smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CCN3CC[NH2+]C[C@@H]3C2)c1 ZINC001164399438 718834042 /nfs/dbraw/zinc/83/40/42/718834042.db2.gz WUKFIRXVFUIFJH-OAHLLOKOSA-N 1 0 389.862 2.220 20 0 GEADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164404861 718840151 /nfs/dbraw/zinc/84/01/51/718840151.db2.gz NIWWSHSHHBYRDY-HNNXBMFYSA-N 1 0 379.842 2.436 20 0 GEADRO COc1ccc(Oc2nc(Cl)ncc2N2CCN3CC[NH2+]C[C@@H]3C2)cc1 ZINC001164400502 718843698 /nfs/dbraw/zinc/84/36/98/718843698.db2.gz YNRUWCILXJXWPX-CYBMUJFWSA-N 1 0 375.860 2.025 20 0 GEADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164401858 718851975 /nfs/dbraw/zinc/85/19/75/718851975.db2.gz DDZSPYNVILEIQN-BONVTDFDSA-N 1 0 389.233 2.500 20 0 GEADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164401573 718853629 /nfs/dbraw/zinc/85/36/29/718853629.db2.gz BYFXXDKMXFZFRK-BONVTDFDSA-N 1 0 386.855 2.422 20 0 GEADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164424279 718915426 /nfs/dbraw/zinc/91/54/26/718915426.db2.gz MMJCZFQPVBRVMW-KRWDZBQOSA-N 1 0 398.841 2.413 20 0 GEADRO FC(F)(N1CCCO[C@@]2(C[NH2+]CCOC2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164423156 718919332 /nfs/dbraw/zinc/91/93/32/718919332.db2.gz DWPXIQBMLNXLBR-INIZCTEOSA-N 1 0 387.858 2.440 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)ncc1Cl ZINC001164614751 719013685 /nfs/dbraw/zinc/01/36/85/719013685.db2.gz GILBBDBQUWMGBI-UJNFCWOMSA-N 1 0 381.210 2.058 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(Cl)ccc1CN1CCCC1 ZINC001164617750 719015400 /nfs/dbraw/zinc/01/54/00/719015400.db2.gz OYLGWBBEQAUSNF-OWCLPIDISA-N 1 0 378.904 2.061 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(Cl)ccc1CN1CCCC1 ZINC001164617597 719015651 /nfs/dbraw/zinc/01/56/51/719015651.db2.gz OYLGWBBEQAUSNF-JYJNAYRXSA-N 1 0 378.904 2.061 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ccc3C(N)=O)CC2)CC1 ZINC001164617036 719027406 /nfs/dbraw/zinc/02/74/06/719027406.db2.gz JHMCZYMLCAQTTC-UHFFFAOYSA-N 1 0 394.903 2.078 20 0 GEADRO C[C@@H]1C(=O)Nc2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2N1C ZINC001164628918 719079977 /nfs/dbraw/zinc/07/99/77/719079977.db2.gz USGQEQBFWIVQFN-HHXXYDBFSA-N 1 0 392.507 2.354 20 0 GEADRO COC(=O)c1ncnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1OC ZINC001164622316 719112328 /nfs/dbraw/zinc/11/23/28/719112328.db2.gz BSDBYLUZWNJBFW-DLBZAZTESA-N 1 0 382.464 2.373 20 0 GEADRO COC(=O)c1ncnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1OC ZINC001164622326 719113493 /nfs/dbraw/zinc/11/34/93/719113493.db2.gz BSDBYLUZWNJBFW-IRXDYDNUSA-N 1 0 382.464 2.373 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164624828 719132219 /nfs/dbraw/zinc/13/22/19/719132219.db2.gz WLBLMSOWNXKOBW-NSHDSACASA-N 1 0 391.205 2.433 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164619012 719133918 /nfs/dbraw/zinc/13/39/18/719133918.db2.gz BKRTZHDWQCGJDJ-NSHDSACASA-N 1 0 391.205 2.433 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164629403 719137223 /nfs/dbraw/zinc/13/72/23/719137223.db2.gz AQQCGHRYWONORE-AWEZNQCLSA-N 1 0 382.798 2.293 20 0 GEADRO COCCN1CCN(C)C2(CC[NH+](C(C)(C)c3ccnc(Cl)c3)CC2)C1=O ZINC001164644294 719285164 /nfs/dbraw/zinc/28/51/64/719285164.db2.gz HEJRIYFFEIWEIN-UHFFFAOYSA-N 1 0 394.947 2.225 20 0 GEADRO C[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@@H]21 ZINC001164664295 719382985 /nfs/dbraw/zinc/38/29/85/719382985.db2.gz AWLIRIJSJJLWJN-ROUUACIJSA-N 1 0 385.899 2.165 20 0 GEADRO Fc1ccc(CN2CCOCC23CCN(c2cc4c(nn2)CC[NH2+]C4)CC3)cc1 ZINC001164670667 719514862 /nfs/dbraw/zinc/51/48/62/719514862.db2.gz DXLWQQVLSJJDAH-UHFFFAOYSA-N 1 0 397.498 2.133 20 0 GEADRO O=C([C@@H]1C[C@@H]2OCC[C@H]2N(c2ccc(C[NH+]3CCCC3)cn2)C1)N1CCCC1 ZINC001164679175 719541810 /nfs/dbraw/zinc/54/18/10/719541810.db2.gz UVMBKGISMIMUAU-AQNXPRMDSA-N 1 0 384.524 2.284 20 0 GEADRO CC(C)N(C)Cc1nn(-c2ncccc2C(=O)N2CCCCC2)c2c1CC[NH2+]C2 ZINC001164682961 719604827 /nfs/dbraw/zinc/60/48/27/719604827.db2.gz GSRFOXQRFUSORB-UHFFFAOYSA-N 1 0 396.539 2.379 20 0 GEADRO CCOC(=O)c1cc2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)[nH]c-2n1 ZINC001164682610 719630917 /nfs/dbraw/zinc/63/09/17/719630917.db2.gz OKIIRBFAWZTGIM-UHFFFAOYSA-N 1 0 396.495 2.411 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164681723 719709704 /nfs/dbraw/zinc/70/97/04/719709704.db2.gz ABCGMGUFQCUITH-UHFFFAOYSA-N 1 0 393.919 2.076 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(C)nc(Cl)n1)CC2 ZINC001164684134 719710619 /nfs/dbraw/zinc/71/06/19/719710619.db2.gz NECCSARMMQVAPO-UHFFFAOYSA-N 1 0 387.862 2.164 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c(C)cc(OC)cc31)CC2 ZINC001164690707 719758475 /nfs/dbraw/zinc/75/84/75/719758475.db2.gz HIOMCLQYRRESDS-UHFFFAOYSA-N 1 0 383.496 2.128 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(N(C)C)n1)C2 ZINC001164810992 720069211 /nfs/dbraw/zinc/06/92/11/720069211.db2.gz MRCJUTBOCKGMAQ-KXBFYZLASA-N 1 0 379.936 2.381 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc(=O)n(C)c3n1)C2 ZINC001164816186 720120495 /nfs/dbraw/zinc/12/04/95/720120495.db2.gz YHMNQHPYUCSJKF-GCJKJVERSA-N 1 0 382.508 2.118 20 0 GEADRO CNC(=O)c1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)ccc1Cl ZINC001164809068 720135678 /nfs/dbraw/zinc/13/56/78/720135678.db2.gz GOMQQMXEIKCNSP-YWZLYKJASA-N 1 0 392.931 2.279 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3c1CNC3=O)C2 ZINC001164808760 720136201 /nfs/dbraw/zinc/13/62/01/720136201.db2.gz GGGOQDVKCQJZQX-VLIAUNLRSA-N 1 0 390.915 2.163 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-n3cnc(C)c3)nn1)C2 ZINC001164808076 720144367 /nfs/dbraw/zinc/14/43/67/720144367.db2.gz DLFWXAHBNYZJOS-GHTZIAJQSA-N 1 0 382.512 2.155 20 0 GEADRO Cn1nnc2c1CCN(c1cc(Cl)ccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714710 720167012 /nfs/dbraw/zinc/16/70/12/720167012.db2.gz RQCKNNXDPCDPQZ-MRXNPFEDSA-N 1 0 376.892 2.080 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164814597 720201812 /nfs/dbraw/zinc/20/18/12/720201812.db2.gz VBHUZACIMXWLRR-JCGIZDLHSA-N 1 0 384.883 2.442 20 0 GEADRO Cc1c[nH]c2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164813512 720209198 /nfs/dbraw/zinc/20/91/98/720209198.db2.gz QLFQCLPPVSUIQR-UHFFFAOYSA-N 1 0 381.484 2.074 20 0 GEADRO Cc1nc2ccoc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164818730 720287229 /nfs/dbraw/zinc/28/72/29/720287229.db2.gz MMPCEETUKLTKMD-ROUUACIJSA-N 1 0 383.496 2.443 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3cnc(F)cc32)CC1 ZINC001164820949 720307041 /nfs/dbraw/zinc/30/70/41/720307041.db2.gz IHOOMDAFHAHWDT-ROUUACIJSA-N 1 0 398.486 2.075 20 0 GEADRO Cc1cc2c(ncnc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164818646 720308910 /nfs/dbraw/zinc/30/89/10/720308910.db2.gz AXKNNQBBMMNTCD-ROUUACIJSA-N 1 0 382.512 2.178 20 0 GEADRO Cc1cnc(Cl)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164833398 720321512 /nfs/dbraw/zinc/32/15/12/720321512.db2.gz WMFJMINWCFBKME-JKSUJKDBSA-N 1 0 377.920 2.350 20 0 GEADRO Cc1cnc2c(ccnc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826645 720347481 /nfs/dbraw/zinc/34/74/81/720347481.db2.gz KPEOPWYEQIUYME-OALUTQOASA-N 1 0 394.523 2.245 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccnc2OC2CCC2)CC1 ZINC001164825013 720349661 /nfs/dbraw/zinc/34/96/61/720349661.db2.gz IMPVHUUSEYJRTR-MOPGFXCFSA-N 1 0 399.539 2.319 20 0 GEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncccc2C(=O)N2CCCCC2)C1 ZINC001164730865 720507215 /nfs/dbraw/zinc/50/72/15/720507215.db2.gz NTVAKTJDXMKOFK-QGZVFWFLSA-N 1 0 382.512 2.102 20 0 GEADRO COC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838448 720508960 /nfs/dbraw/zinc/50/89/60/720508960.db2.gz RHBOYGPXNKDCRK-CEXWTWQISA-N 1 0 383.496 2.443 20 0 GEADRO COC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841516 720517644 /nfs/dbraw/zinc/51/76/44/720517644.db2.gz YRFMTPWADFKCTR-YQVWRLOYSA-N 1 0 383.496 2.443 20 0 GEADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164734207 720520675 /nfs/dbraw/zinc/52/06/75/720520675.db2.gz NWFGZKJFCHZYIR-FOSCPCJNSA-N 1 0 394.479 2.144 20 0 GEADRO CC(C)(C)N(c1ccc(CN2CCOCC2)cn1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164736373 720544000 /nfs/dbraw/zinc/54/40/00/720544000.db2.gz XDHGRCGQOINNCJ-IBGZPJMESA-N 1 0 388.556 2.430 20 0 GEADRO CCOC(=O)c1cc(C)cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733732 720553992 /nfs/dbraw/zinc/55/39/92/720553992.db2.gz QOKTUVMNCKVRGX-UHFFFAOYSA-N 1 0 383.496 2.422 20 0 GEADRO COc1nc(Cl)nc(C)c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728818 720565131 /nfs/dbraw/zinc/56/51/31/720565131.db2.gz MQAJQAVITKMDQI-UHFFFAOYSA-N 1 0 376.892 2.302 20 0 GEADRO CC(C)(C)OC(=O)c1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164727911 720570205 /nfs/dbraw/zinc/57/02/05/720570205.db2.gz GHMQPOHBYQMUDT-UHFFFAOYSA-N 1 0 398.511 2.287 20 0 GEADRO CCOC(=O)c1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(OC)c1 ZINC001164729533 720572077 /nfs/dbraw/zinc/57/20/77/720572077.db2.gz QFULMQARFYBKGZ-UHFFFAOYSA-N 1 0 399.495 2.122 20 0 GEADRO COc1cccc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c21 ZINC001164736095 720583276 /nfs/dbraw/zinc/58/32/76/720583276.db2.gz BSDZYPMUHQGPBY-UHFFFAOYSA-N 1 0 378.480 2.493 20 0 GEADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1cc(-c3ccccn3)ncn1)CC2 ZINC001164736737 720583755 /nfs/dbraw/zinc/58/37/55/720583755.db2.gz SBQKDOGJYXDQLE-UHFFFAOYSA-N 1 0 375.480 2.394 20 0 GEADRO CCNC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164840604 720598400 /nfs/dbraw/zinc/59/84/00/720598400.db2.gz PXGQOOOBJZRYHV-XUVXKRRUSA-N 1 0 396.539 2.406 20 0 GEADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)CCCC2 ZINC001164746290 720647694 /nfs/dbraw/zinc/64/76/94/720647694.db2.gz XAXYLOQRHQQHDU-KGLIPLIRSA-N 1 0 386.887 2.141 20 0 GEADRO Clc1nnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2sccc21 ZINC001164743026 720654795 /nfs/dbraw/zinc/65/47/95/720654795.db2.gz OJFDBNFKAWEOIN-NEPJUHHUSA-N 1 0 388.884 2.477 20 0 GEADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc2c1 ZINC001164736823 720669381 /nfs/dbraw/zinc/66/93/81/720669381.db2.gz BJOZERJTNDCKLY-AEFFLSMTSA-N 1 0 377.448 2.375 20 0 GEADRO Fc1ccc(-c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737077 720687072 /nfs/dbraw/zinc/68/70/72/720687072.db2.gz CXDLQYCAUQXYEB-ZWKOTPCHSA-N 1 0 392.438 2.415 20 0 GEADRO Cc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742778 720808192 /nfs/dbraw/zinc/80/81/92/720808192.db2.gz DWLZMFXRGPLWCQ-BRWVUGGUSA-N 1 0 387.919 2.409 20 0 GEADRO CCOc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164737443 720822007 /nfs/dbraw/zinc/82/20/07/720822007.db2.gz BFNRYXPYINSYGN-NLWGTHIKSA-N 1 0 382.512 2.451 20 0 GEADRO COc1ccc(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740334 720826801 /nfs/dbraw/zinc/82/68/01/720826801.db2.gz KFPGPFRSFDVMLC-IPMKNSEASA-N 1 0 382.512 2.370 20 0 GEADRO Cc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164738752 720831294 /nfs/dbraw/zinc/83/12/94/720831294.db2.gz GESLJWPVPUBPDB-IXDOHACOSA-N 1 0 387.919 2.409 20 0 GEADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)c1 ZINC001164847028 720831794 /nfs/dbraw/zinc/83/17/94/720831794.db2.gz HRALIQOQUCETHJ-HOCLYGCPSA-N 1 0 397.903 2.085 20 0 GEADRO c1ncn(C[C@H]2C[C@H]3CN(c4ccnc(C5CC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740475 720835381 /nfs/dbraw/zinc/83/53/81/720835381.db2.gz BXTBKSNAMUSRJJ-IPMKNSEASA-N 1 0 379.512 2.325 20 0 GEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164849289 720838760 /nfs/dbraw/zinc/83/87/60/720838760.db2.gz BYEYQSKFTRJIQJ-HZPDHXFCSA-N 1 0 376.526 2.482 20 0 GEADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(Cl)c4ccccc43)CC[C@@H]2C1 ZINC001164852941 720838963 /nfs/dbraw/zinc/83/89/63/720838963.db2.gz MNBMPXGZMWNKSH-PBHICJAKSA-N 1 0 376.888 2.457 20 0 GEADRO COc1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743116 720840968 /nfs/dbraw/zinc/84/09/68/720840968.db2.gz IPQRGJKPVQXMKA-GUDVDZBRSA-N 1 0 382.512 2.370 20 0 GEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CCCC4)CC[C@H]2C1 ZINC001164858218 720842120 /nfs/dbraw/zinc/84/21/20/720842120.db2.gz ZCTBBUQMPHCFAN-WMLDXEAASA-N 1 0 380.920 2.182 20 0 GEADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Oc3ccc(Cl)nc3)CC[C@H]2C1 ZINC001164854770 720846273 /nfs/dbraw/zinc/84/62/73/720846273.db2.gz SGCLWXQCCFRADR-DZGCQCFKSA-N 1 0 391.846 2.333 20 0 GEADRO COCC[N@@H+]1CCO[C@H]2CN(c3cnc4cc(Cl)ccc4n3)CC[C@@H]2C1 ZINC001164855220 720848651 /nfs/dbraw/zinc/84/86/51/720848651.db2.gz SYRKYRKNMSDWLA-KDOFPFPSSA-N 1 0 376.888 2.457 20 0 GEADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4nc3Cl)CC[C@@H]2C1 ZINC001164852839 720848797 /nfs/dbraw/zinc/84/87/97/720848797.db2.gz MAFGEGORQIYVCI-PBHICJAKSA-N 1 0 376.888 2.457 20 0 GEADRO 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720887964 /nfs/dbraw/zinc/88/79/64/720887964.db2.gz DDFZPALAMGYIOR-RTBURBONSA-N 1 0 390.528 2.219 20 0 GEADRO Cc1cccc2c1ccnc2N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164749197 720955835 /nfs/dbraw/zinc/95/58/35/720955835.db2.gz AKSWNXOIJLTKPH-UHFFFAOYSA-N 1 0 379.464 2.385 20 0 GEADRO Cc1cc2ncnc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c2cc1C ZINC001164753356 720967600 /nfs/dbraw/zinc/96/76/00/720967600.db2.gz CXRHMLNCXXTADP-UHFFFAOYSA-N 1 0 394.479 2.089 20 0 GEADRO c1cncc(CO[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)[C@H]3COC[C@H]32)c1 ZINC001164759398 721008293 /nfs/dbraw/zinc/00/82/93/721008293.db2.gz MEMQXCLSPUIVLS-QHAWAJNXSA-N 1 0 380.492 2.493 20 0 GEADRO C[N@H+](Cc1ccc(N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@@H]32)nc1)C1CC1 ZINC001164761786 721009557 /nfs/dbraw/zinc/00/95/57/721009557.db2.gz UAEFFHUGEQQLAF-HKBOAZHASA-N 1 0 380.492 2.491 20 0 GEADRO CON(C)C(=O)c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164861771 721012730 /nfs/dbraw/zinc/01/27/30/721012730.db2.gz PIBHIXOIHHISHA-OAHLLOKOSA-N 1 0 386.500 2.333 20 0 GEADRO CNC(=O)c1cc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164856723 721020896 /nfs/dbraw/zinc/02/08/96/721020896.db2.gz BKROWLWMXTUWPX-LBPRGKRZSA-N 1 0 391.907 2.108 20 0 GEADRO COc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1NC(C)C ZINC001164869159 721040816 /nfs/dbraw/zinc/04/08/16/721040816.db2.gz SAGXALJIPVQCTJ-ZWKOTPCHSA-N 1 0 398.511 2.180 20 0 GEADRO CCOC(=O)c1ccc(C)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867934 721041413 /nfs/dbraw/zinc/04/14/13/721041413.db2.gz LAGGTQINNSWKGY-MOPGFXCFSA-N 1 0 396.491 2.441 20 0 GEADRO COc1cnc(SC)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869493 721051830 /nfs/dbraw/zinc/05/18/30/721051830.db2.gz TUDJKPLJDZSSFM-CVEARBPZSA-N 1 0 387.509 2.082 20 0 GEADRO Cc1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1N1CCCC1 ZINC001164773124 721071466 /nfs/dbraw/zinc/07/14/66/721071466.db2.gz WMTFKVXUIHBQAO-OALUTQOASA-N 1 0 381.528 2.077 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(N5CCCCC5)nn4)C[C@H]3C2)cn1 ZINC001164773631 721072586 /nfs/dbraw/zinc/07/25/86/721072586.db2.gz XUWLODYCHNPLOT-RTBURBONSA-N 1 0 381.528 2.159 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5[nH]cc(F)c54)C[C@@H]3C2)cn1 ZINC001164762753 721073607 /nfs/dbraw/zinc/07/36/07/721073607.db2.gz FHHVINOSBDKWCE-OLZOCXBDSA-N 1 0 389.866 2.442 20 0 GEADRO COC(=O)c1c(Cl)ccnc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764375 721081683 /nfs/dbraw/zinc/08/16/83/721081683.db2.gz HJZLYNSXGXILNX-HUUCEWRRSA-N 1 0 389.887 2.213 20 0 GEADRO Cc1nc2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2n1C ZINC001164863609 721089154 /nfs/dbraw/zinc/08/91/54/721089154.db2.gz CXKGPACWNUOKAJ-MSOLQXFVSA-N 1 0 378.480 2.151 20 0 GEADRO CCOC(=O)c1cc(C)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864898 721090108 /nfs/dbraw/zinc/09/01/08/721090108.db2.gz HFHFVKJWECDRNE-MOPGFXCFSA-N 1 0 396.491 2.441 20 0 GEADRO CCOC(=O)c1cc(C)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864899 721090778 /nfs/dbraw/zinc/09/07/78/721090778.db2.gz HFHFVKJWECDRNE-OALUTQOASA-N 1 0 396.491 2.441 20 0 GEADRO COc1ccc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762876 721094903 /nfs/dbraw/zinc/09/49/03/721094903.db2.gz FKUUAHPWYCYLMM-DLBZAZTESA-N 1 0 378.480 2.330 20 0 GEADRO COC(=O)c1c(C)cc(C)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761745 721125903 /nfs/dbraw/zinc/12/59/03/721125903.db2.gz BBKCOPSKJUXXGD-ZWKOTPCHSA-N 1 0 383.496 2.177 20 0 GEADRO c1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)nc1 ZINC001164872559 721163012 /nfs/dbraw/zinc/16/30/12/721163012.db2.gz HPVSIISBAGEYJK-RBUKOAKNSA-N 1 0 388.475 2.413 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(-c5cccnc5F)n4)C[C@H]3C2)cn1 ZINC001164772901 721170657 /nfs/dbraw/zinc/17/06/57/721170657.db2.gz VYUWMARJHGIMCZ-DLBZAZTESA-N 1 0 393.470 2.370 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C(=O)NC(C)(C)C)ccn4)C[C@@H]3C2)cn1 ZINC001164771471 721171460 /nfs/dbraw/zinc/17/14/60/721171460.db2.gz QHJADRSBXBQMAH-OALUTQOASA-N 1 0 396.539 2.302 20 0 GEADRO CCOC(=O)c1c(C)ccnc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761382 721172298 /nfs/dbraw/zinc/17/22/98/721172298.db2.gz AZEFKFRMBSOWSK-ZWKOTPCHSA-N 1 0 383.496 2.259 20 0 GEADRO CCOC(=O)c1c(C)ccnc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761378 721172585 /nfs/dbraw/zinc/17/25/85/721172585.db2.gz AZEFKFRMBSOWSK-QZTJIDSGSA-N 1 0 383.496 2.259 20 0 GEADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4nccnc4OC4CCC4)CC[N@@H+]3C2)c1 ZINC001164880695 721174800 /nfs/dbraw/zinc/17/48/00/721174800.db2.gz XCWOCAMATXNPHH-IEBWSBKVSA-N 1 0 381.480 2.283 20 0 GEADRO CC(C)n1cnc2cnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc21 ZINC001164772403 721201664 /nfs/dbraw/zinc/20/16/64/721201664.db2.gz UNHGJGYGXUEOPE-IAGOWNOFSA-N 1 0 380.500 2.099 20 0 GEADRO Cc1noc(-c2cccnc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164765697 721203471 /nfs/dbraw/zinc/20/34/71/721203471.db2.gz IDFBKECPNICBGM-DLBZAZTESA-N 1 0 379.468 2.132 20 0 GEADRO COc1cccc2ncnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c21 ZINC001164770153 721205474 /nfs/dbraw/zinc/20/54/74/721205474.db2.gz NROONAANNREDGV-SJORKVTESA-N 1 0 378.480 2.330 20 0 GEADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)nc1)C1CC1 ZINC001164888056 721344838 /nfs/dbraw/zinc/34/48/38/721344838.db2.gz WPQFMFGZOIRIIR-SIKLNZKXSA-N 1 0 384.524 2.187 20 0 GEADRO O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164886379 721345883 /nfs/dbraw/zinc/34/58/83/721345883.db2.gz RXRIDOVMAKDHMK-KNQAVFIVSA-N 1 0 384.524 2.189 20 0 GEADRO CS(=O)(=O)N1CCCC[C@]12CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164887116 721377203 /nfs/dbraw/zinc/37/72/03/721377203.db2.gz GYGVAPQGPIQLFT-HXUWFJFHSA-N 1 0 392.569 2.462 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5ccsc54)C3)O2)CC1 ZINC001164889831 721382720 /nfs/dbraw/zinc/38/27/20/721382720.db2.gz MNVCWTKDJQPEIZ-OXJNMPFZSA-N 1 0 387.553 2.457 20 0 GEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5cccnc5n4)C3)O2)CC1 ZINC001164884047 721406552 /nfs/dbraw/zinc/40/65/52/721406552.db2.gz DACSZNDZCPBEGD-DENIHFKCSA-N 1 0 381.524 2.395 20 0 GEADRO Cc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2[nH]1 ZINC001164885653 721419835 /nfs/dbraw/zinc/41/98/35/721419835.db2.gz GXUCZYITZHJDNG-LAUBAEHRSA-N 1 0 384.528 2.032 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc5ncsc54)C3)O2)CC1 ZINC001164890736 721426286 /nfs/dbraw/zinc/42/62/86/721426286.db2.gz DRTSBQNAPMDAQK-JXFKEZNVSA-N 1 0 387.553 2.457 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(F)c5cc[nH]c54)C3)O2)CC1 ZINC001164894411 721427682 /nfs/dbraw/zinc/42/76/82/721427682.db2.gz MFJBHVGWZSFQOH-KKSFZXQISA-N 1 0 387.503 2.467 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(C(F)F)n4)C3)O2)CC1 ZINC001164890802 721428602 /nfs/dbraw/zinc/42/86/02/721428602.db2.gz FWOJYRHBELWZCH-HNAYVOBHSA-N 1 0 381.471 2.180 20 0 GEADRO CC(C)Oc1cncc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164896439 721437424 /nfs/dbraw/zinc/43/74/24/721437424.db2.gz RIHLJMJVFXRTDS-NQIIRXRSSA-N 1 0 389.544 2.029 20 0 GEADRO CCc1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895363 721438538 /nfs/dbraw/zinc/43/85/38/721438538.db2.gz NYTOLVJDYZZSKI-UZLBHIALSA-N 1 0 393.963 2.458 20 0 GEADRO CCc1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895360 721438731 /nfs/dbraw/zinc/43/87/31/721438731.db2.gz NYTOLVJDYZZSKI-JXFKEZNVSA-N 1 0 393.963 2.458 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(C(F)F)cn4)C3)O2)CC1 ZINC001164893824 721445610 /nfs/dbraw/zinc/44/56/10/721445610.db2.gz KTNZUXBDRNOQED-LPHOPBHVSA-N 1 0 381.471 2.180 20 0 GEADRO CCOC(=O)c1cncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898042 721508992 /nfs/dbraw/zinc/50/89/92/721508992.db2.gz HKNRWDHRKGFKTM-WBVHZDCISA-N 1 0 386.427 2.134 20 0 GEADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5nc[nH]c54)CC[N@@H+]3C2)c1 ZINC001164901063 721510747 /nfs/dbraw/zinc/51/07/47/721510747.db2.gz 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380.176 2.393 20 0 GEADRO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152599161 531560167 /nfs/dbraw/zinc/56/01/67/531560167.db2.gz KDIMJQIPOCOCEH-KRWDZBQOSA-N 1 0 382.302 2.141 20 0 GEADRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000152616588 531563038 /nfs/dbraw/zinc/56/30/38/531563038.db2.gz INQJTLSUNFRMRF-BXUZGUMPSA-N 1 0 388.249 2.465 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000152825033 531572974 /nfs/dbraw/zinc/57/29/74/531572974.db2.gz CLYIDLMTCRQKDZ-ZDUSSCGKSA-N 1 0 385.277 2.311 20 0 GEADRO Cc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c2ccc(Br)cc2n1 ZINC000153245854 531593144 /nfs/dbraw/zinc/59/31/44/531593144.db2.gz ULWDINSDRDSUKQ-KRWDZBQOSA-N 1 0 380.286 2.348 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(Cl)c1 ZINC000153507634 531602494 /nfs/dbraw/zinc/60/24/94/531602494.db2.gz OLQKTDOROOUYNY-HNNXBMFYSA-N 1 0 389.949 2.019 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000153739103 531608326 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ZINC000174130004 532052344 /nfs/dbraw/zinc/05/23/44/532052344.db2.gz OYDQLQPAXPFXSR-ZIAGYGMSSA-N 1 0 384.318 2.165 20 0 GEADRO O=C(CC[NH2+]Cc1cnc2ccc(Br)cn12)NCc1cccnc1 ZINC000174312312 532060062 /nfs/dbraw/zinc/06/00/62/532060062.db2.gz PETGQVBXGUIWPB-UHFFFAOYSA-N 1 0 388.269 2.288 20 0 GEADRO COc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)ccc1OC(F)F ZINC000122290389 532063969 /nfs/dbraw/zinc/06/39/69/532063969.db2.gz LQKPWJNHKYHKHN-UHFFFAOYSA-N 1 0 392.449 2.426 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000122289334 532064916 /nfs/dbraw/zinc/06/49/16/532064916.db2.gz FOXASFMIWYJKAD-IUODEOHRSA-N 1 0 380.286 2.330 20 0 GEADRO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1Cl)CN1CCOCC1 ZINC000174487316 532065732 /nfs/dbraw/zinc/06/57/32/532065732.db2.gz JADXPPSFQZJHKL-HNNXBMFYSA-N 1 0 377.710 2.275 20 0 GEADRO C[C@@](O)(C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)CN1CCOCC1 ZINC000174483441 532066267 /nfs/dbraw/zinc/06/62/67/532066267.db2.gz JGTMOZIPBYVRRC-GOSISDBHSA-N 1 0 387.307 2.442 20 0 GEADRO C[NH+]1CCC(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000174505784 532067706 /nfs/dbraw/zinc/06/77/06/532067706.db2.gz XPGUZOAZQVPWGE-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000122397633 532068258 /nfs/dbraw/zinc/06/82/58/532068258.db2.gz NIAGGCXBWQIVQR-UHFFFAOYSA-N 1 0 379.320 2.453 20 0 GEADRO CC[C@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000122835349 532084057 /nfs/dbraw/zinc/08/40/57/532084057.db2.gz UWKYDLWKIFMTOH-WFASDCNBSA-N 1 0 375.332 2.282 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC[N@@H+]1C ZINC000122872544 532085080 /nfs/dbraw/zinc/08/50/80/532085080.db2.gz PGLIZWDOYBWBDI-OLZOCXBDSA-N 1 0 387.933 2.145 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNC(=O)CSCC(F)(F)F)cn2)CC1 ZINC000122933769 532086377 /nfs/dbraw/zinc/08/63/77/532086377.db2.gz OOBUNXPLPUBIOU-UHFFFAOYSA-N 1 0 376.448 2.135 20 0 GEADRO C[NH+](C)Cc1ccnc(NC(=O)CNC(=O)c2cccc(Br)c2)c1 ZINC000174990081 532085526 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COCCC[N@H+](C)CCNC(=O)NCc1cc(F)ccc1Br ZINC000175271392 532096173 /nfs/dbraw/zinc/09/61/73/532096173.db2.gz RPURZEGFNNEWGP-UHFFFAOYSA-N 1 0 376.270 2.356 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c(Cl)cc1Cl ZINC000175286784 532097120 /nfs/dbraw/zinc/09/71/20/532097120.db2.gz GMCOHMRJZWVUKR-SNVBAGLBSA-N 1 0 395.308 2.352 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123351321 532098488 /nfs/dbraw/zinc/09/84/88/532098488.db2.gz AUNSLXCTDOWMDX-FOSCPWQOSA-N 1 0 380.491 2.249 20 0 GEADRO CC1(C)CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]1 ZINC000175392094 532102035 /nfs/dbraw/zinc/10/20/35/532102035.db2.gz IVYWYAFNYMCYIP-AWEZNQCLSA-N 1 0 380.286 2.012 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000175403837 532102984 /nfs/dbraw/zinc/10/29/84/532102984.db2.gz ZTXOIOKZGCCYEL-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO CN(CC(C)(C)C[NH+]1CCOCC1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000123578352 532103038 /nfs/dbraw/zinc/10/30/38/532103038.db2.gz NRIPVQKWLSPVOY-MRXNPFEDSA-N 1 0 398.345 2.266 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000175403821 532103019 /nfs/dbraw/zinc/10/30/19/532103019.db2.gz ZTXOIOKZGCCYEL-OAHLLOKOSA-N 1 0 382.302 2.122 20 0 GEADRO Cc1cc(I)cnc1NC(=O)CN(C)[C@@H]1CCSC1 ZINC000123847056 532108542 /nfs/dbraw/zinc/10/85/42/532108542.db2.gz PQSRWSOBZWRNEV-LLVKDONJSA-N 1 0 391.278 2.370 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000175664632 532111373 /nfs/dbraw/zinc/11/13/73/532111373.db2.gz XKPCTSMDFLVJBD-CQSZACIVSA-N 1 0 375.332 2.249 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000123494071 532100476 /nfs/dbraw/zinc/10/04/76/532100476.db2.gz MJFFSCZGMPONGG-UHFFFAOYSA-N 1 0 380.341 2.251 20 0 GEADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000175362293 532100855 /nfs/dbraw/zinc/10/08/55/532100855.db2.gz FIJXUZDHXVZENB-UHFFFAOYSA-N 1 0 379.885 2.448 20 0 GEADRO Cc1ccc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c(Br)n1 ZINC000124205086 532116995 /nfs/dbraw/zinc/11/69/95/532116995.db2.gz JVCMDNRGUZNWQN-UHFFFAOYSA-N 1 0 393.285 2.418 20 0 GEADRO Cn1cc(Br)cc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000124221243 532117252 /nfs/dbraw/zinc/11/72/52/532117252.db2.gz SHGQGXPEIIHSRI-UHFFFAOYSA-N 1 0 381.274 2.053 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000124387076 532119774 /nfs/dbraw/zinc/11/97/74/532119774.db2.gz COFAJVPITMXPAB-UHFFFAOYSA-N 1 0 390.228 2.220 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000124360113 532119957 /nfs/dbraw/zinc/11/99/57/532119957.db2.gz NISKPWVZPZSWHG-VXGBXAGGSA-N 1 0 382.507 2.436 20 0 GEADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1Br ZINC000175993566 532121648 /nfs/dbraw/zinc/12/16/48/532121648.db2.gz CRIOKCDJZPLRDY-CYBMUJFWSA-N 1 0 396.285 2.093 20 0 GEADRO Cn1c2ccc(Cl)cc2nc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000124545518 532124313 /nfs/dbraw/zinc/12/43/13/532124313.db2.gz LCXMOZXWKYGRRU-UHFFFAOYSA-N 1 0 382.917 2.273 20 0 GEADRO C[C@H]1CN=C(N2CC[NH+](CCC(=O)N3CCc4sccc4C3)CC2)S1 ZINC000175798303 532114807 /nfs/dbraw/zinc/11/48/07/532114807.db2.gz MGNVOMHPGPMYFU-AWEZNQCLSA-N 1 0 378.567 2.132 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000176069518 532124943 /nfs/dbraw/zinc/12/49/43/532124943.db2.gz NCAOUIRXBLVEAH-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000124597780 532125365 /nfs/dbraw/zinc/12/53/65/532125365.db2.gz GXKMSKWOGXGRGX-MRXNPFEDSA-N 1 0 396.329 2.463 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176080777 532125502 /nfs/dbraw/zinc/12/55/02/532125502.db2.gz VBYOPMASKSOXHT-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO C[C@H]1CN(C(=O)CN(C)[C@@H](CO)c2cccc(Br)c2)C[C@H](C)O1 ZINC000125611644 532139853 /nfs/dbraw/zinc/13/98/53/532139853.db2.gz OTKZKZQFXRLPDO-XEZPLFJOSA-N 1 0 385.302 2.050 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000125133116 532132816 /nfs/dbraw/zinc/13/28/16/532132816.db2.gz VGTDISNBEXEZEN-GHMZBOCLSA-N 1 0 377.304 2.314 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(Cl)c1 ZINC000125385397 532134738 /nfs/dbraw/zinc/13/47/38/532134738.db2.gz NEIKQQZKMTZVDT-NSHDSACASA-N 1 0 376.906 2.381 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000127062330 532152974 /nfs/dbraw/zinc/15/29/74/532152974.db2.gz XPRQHLUYXGZVEZ-MRXNPFEDSA-N 1 0 384.318 2.093 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000176895108 532153869 /nfs/dbraw/zinc/15/38/69/532153869.db2.gz VVHDIDCFSZJKNP-LBPRGKRZSA-N 1 0 387.274 2.264 20 0 GEADRO O=C(Nc1nnc(-c2ccsc2)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176912065 532155139 /nfs/dbraw/zinc/15/51/39/532155139.db2.gz CGKOATQOKQOHJS-LBPRGKRZSA-N 1 0 379.511 2.453 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000125968114 532143760 /nfs/dbraw/zinc/14/37/60/532143760.db2.gz CUQIJYGCVWCQLI-BBRMVZONSA-N 1 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OCCOCC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177454701 532171427 /nfs/dbraw/zinc/17/14/27/532171427.db2.gz KPWOUQIJIRTJQX-UHFFFAOYSA-N 1 0 391.249 2.143 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177446609 532171915 /nfs/dbraw/zinc/17/19/15/532171915.db2.gz BHHAIICTCPUZTK-QWHCGFSZSA-N 1 0 387.933 2.193 20 0 GEADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129119175 532172594 /nfs/dbraw/zinc/17/25/94/532172594.db2.gz SCXIGZNJNOEKGJ-CABCVRRESA-N 1 0 389.323 2.387 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000177598539 532176346 /nfs/dbraw/zinc/17/63/46/532176346.db2.gz RNRJGOXTMKVZHL-UHFFFAOYSA-N 1 0 389.949 2.488 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000130254187 532191248 /nfs/dbraw/zinc/19/12/48/532191248.db2.gz CFNPXTMCXPQTNL-HOCLYGCPSA-N 1 0 397.313 2.494 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000178116765 532193778 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C[C@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)[NH+]1CCC(C)CC1 ZINC000177964432 532187538 /nfs/dbraw/zinc/18/75/38/532187538.db2.gz VBCHDQKBNJWQQA-GFCCVEGCSA-N 1 0 385.306 2.390 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000130038289 532188323 /nfs/dbraw/zinc/18/83/23/532188323.db2.gz MHRBWVXMVUAWAF-UHFFFAOYSA-N 1 0 393.329 2.227 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178008638 532189434 /nfs/dbraw/zinc/18/94/34/532189434.db2.gz CKQRFSQEOZSPGG-OLZOCXBDSA-N 1 0 398.301 2.385 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178558516 532205370 /nfs/dbraw/zinc/20/53/70/532205370.db2.gz VDEUEIBAKSUIGG-MRVPVSSYSA-N 1 0 394.640 2.374 20 0 GEADRO C[C@@H]([NH3+])CCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000178651972 532207775 /nfs/dbraw/zinc/20/77/75/532207775.db2.gz UTLPITZQWASBAH-GFCCVEGCSA-N 1 0 382.302 2.155 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000178651962 532208301 /nfs/dbraw/zinc/20/83/01/532208301.db2.gz UTLPITZQWASBAH-LBPRGKRZSA-N 1 0 382.302 2.155 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000178670298 532209156 /nfs/dbraw/zinc/20/91/56/532209156.db2.gz DDELQDOQVLANNT-MRXNPFEDSA-N 1 0 396.329 2.417 20 0 GEADRO NC(=O)N1CCC([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000178711876 532209979 /nfs/dbraw/zinc/20/99/79/532209979.db2.gz OJDWQTPNENZGIG-CYBMUJFWSA-N 1 0 381.318 2.408 20 0 GEADRO C[C@H]([NH3+])CC[N-]S(=O)(=O)c1scc(Br)c1Br ZINC000178912143 532216509 /nfs/dbraw/zinc/21/65/09/532216509.db2.gz BMEZPEWELWBTLB-YFKPBYRVSA-N 1 0 392.138 2.289 20 0 GEADRO C[C@@H](CNC(=O)c1cc(F)c(F)cc1Br)N1CC[NH+](C)CC1 ZINC000132529099 532216802 /nfs/dbraw/zinc/21/68/02/532216802.db2.gz LMDVXENXKXMPJO-JTQLQIEISA-N 1 0 376.245 2.093 20 0 GEADRO CCCN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CC[NH2+]C1 ZINC000178925111 532217660 /nfs/dbraw/zinc/21/76/60/532217660.db2.gz CFLFHNOJFXHTFF-UONOGXRCSA-N 1 0 394.313 2.403 20 0 GEADRO CCCN(C(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000178925312 532217733 /nfs/dbraw/zinc/21/77/33/532217733.db2.gz FGSZPPBDIFUGNJ-QWRGUYRKSA-N 1 0 388.331 2.229 20 0 GEADRO COC[C@@](C)(CCO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000132575711 532218052 /nfs/dbraw/zinc/21/80/52/532218052.db2.gz LZLLSIHZDYYKRV-IUODEOHRSA-N 1 0 396.709 2.219 20 0 GEADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000178949699 532218601 /nfs/dbraw/zinc/21/86/01/532218601.db2.gz HWQGCZAICDZILY-SECBINFHSA-N 1 0 387.221 2.450 20 0 GEADRO C[C@H]([NH2+]CCc1cscn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000178470745 532203399 /nfs/dbraw/zinc/20/33/99/532203399.db2.gz FOQPLXMNEOKMDU-AWEZNQCLSA-N 1 0 381.523 2.057 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)Nc3cccnc3Br)CC2)CC1 ZINC000178501674 532203823 /nfs/dbraw/zinc/20/38/23/532203823.db2.gz XICWNCSDINVLJK-UHFFFAOYSA-N 1 0 396.333 2.335 20 0 GEADRO Cc1nccn1CCCC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000179396532 532229138 /nfs/dbraw/zinc/22/91/38/532229138.db2.gz QUUAWKKMWWOHNE-UHFFFAOYSA-N 1 0 382.555 2.476 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1Br ZINC000133278459 532230629 /nfs/dbraw/zinc/23/06/29/532230629.db2.gz DHZJWSUYUJVSFJ-OLZOCXBDSA-N 1 0 380.286 2.473 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000179508487 532233494 /nfs/dbraw/zinc/23/34/94/532233494.db2.gz JNWJXAAQJPMOHG-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(I)ccc1O ZINC000179514762 532233617 /nfs/dbraw/zinc/23/36/17/532233617.db2.gz WTNDVXJJRAFJCT-GWCFXTLKSA-N 1 0 388.249 2.409 20 0 GEADRO Cn1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc(Br)c1=O ZINC000178965786 532219612 /nfs/dbraw/zinc/21/96/12/532219612.db2.gz MOIYZNDUNAESSW-UHFFFAOYSA-N 1 0 383.290 2.144 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000179017910 532220046 /nfs/dbraw/zinc/22/00/46/532220046.db2.gz XRMRDDYPJDSQRF-XMHCIUCPSA-N 1 0 387.343 2.405 20 0 GEADRO CN1CCC(CNC(=O)CSCc2cscn2)([NH+]2CCCCC2)CC1 ZINC000132780329 532221114 /nfs/dbraw/zinc/22/11/14/532221114.db2.gz KVIFIMYYBJFOGP-UHFFFAOYSA-N 1 0 382.599 2.443 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)c1c(F)cccc1Cl)N1CC[NH+](C)CC1 ZINC000132874802 532222891 /nfs/dbraw/zinc/22/28/91/532222891.db2.gz QJQCAYFMCGBHFU-OAHLLOKOSA-N 1 0 377.913 2.029 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000132919917 532223603 /nfs/dbraw/zinc/22/36/03/532223603.db2.gz WAIFEDCVDKOOFO-UHFFFAOYSA-N 1 0 388.737 2.399 20 0 GEADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ncc(Br)s1 ZINC000179199702 532224293 /nfs/dbraw/zinc/22/42/93/532224293.db2.gz RQLZFYFIGUXBEM-SECBINFHSA-N 1 0 390.328 2.446 20 0 GEADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ncc(Br)s1 ZINC000179199694 532224697 /nfs/dbraw/zinc/22/46/97/532224697.db2.gz RQLZFYFIGUXBEM-VIFPVBQESA-N 1 0 390.328 2.446 20 0 GEADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cncc(I)c1 ZINC000179248967 532226156 /nfs/dbraw/zinc/22/61/56/532226156.db2.gz OGFGHKXKMGPHPF-UHFFFAOYSA-N 1 0 385.249 2.290 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1Cl ZINC000179674721 532240636 /nfs/dbraw/zinc/24/06/36/532240636.db2.gz PHXIWTNVTJBKIQ-INIZCTEOSA-N 1 0 385.961 2.439 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000179756680 532243336 /nfs/dbraw/zinc/24/33/36/532243336.db2.gz ZQCUXAWHZQIOPN-INIZCTEOSA-N 1 0 397.313 2.230 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000133804899 532243525 /nfs/dbraw/zinc/24/35/25/532243525.db2.gz SQMLCZFCKWAMBB-JKSUJKDBSA-N 1 0 394.313 2.264 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000133804505 532243617 /nfs/dbraw/zinc/24/36/17/532243617.db2.gz SQMLCZFCKWAMBB-HOTGVXAUSA-N 1 0 394.313 2.264 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnn2cc(Br)cnc12 ZINC000179785775 532244221 /nfs/dbraw/zinc/24/42/21/532244221.db2.gz DDTYBEHGPNHPHM-UHFFFAOYSA-N 1 0 392.257 2.289 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000133916028 532245814 /nfs/dbraw/zinc/24/58/14/532245814.db2.gz UJLCUOQWDISSTL-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000179893703 532248873 /nfs/dbraw/zinc/24/88/73/532248873.db2.gz VYSRRIDXTUOBSU-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000179956654 532251496 /nfs/dbraw/zinc/25/14/96/532251496.db2.gz DPAAKVWSWUAMJP-UHFFFAOYSA-N 1 0 377.794 2.205 20 0 GEADRO CCOC(=O)C1(NC(=O)c2cc(F)cc(Br)c2)CC[NH+](C)CC1 ZINC000134323574 532254145 /nfs/dbraw/zinc/25/41/45/532254145.db2.gz ASMVSVXYJHICTE-UHFFFAOYSA-N 1 0 387.249 2.346 20 0 GEADRO CC(C)([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccc(Cl)c1 ZINC000179604870 532238451 /nfs/dbraw/zinc/23/84/51/532238451.db2.gz NALHYKLSUGNJTK-UHFFFAOYSA-N 1 0 381.885 2.451 20 0 GEADRO COc1ccsc1S(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180464114 532271765 /nfs/dbraw/zinc/27/17/65/532271765.db2.gz GTVGHYDUBKQWPG-UHFFFAOYSA-N 1 0 388.555 2.270 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C1CC1 ZINC000180047661 532254981 /nfs/dbraw/zinc/25/49/81/532254981.db2.gz FTATWCWZOFJPHO-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO CC[C@]1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCC[NH2+]1 ZINC000134455535 532256480 /nfs/dbraw/zinc/25/64/80/532256480.db2.gz MXTBOLYMYHSTDA-GOSISDBHSA-N 1 0 394.313 2.266 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c(Br)c2)[C@@H]1c1ccccc1 ZINC000180195267 532260968 /nfs/dbraw/zinc/26/09/68/532260968.db2.gz ALFRFKOJBNKGRI-CABCVRRESA-N 1 0 376.254 2.313 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000135083182 532267039 /nfs/dbraw/zinc/26/70/39/532267039.db2.gz VCSGLFPHSKGHQQ-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000135671373 532277520 /nfs/dbraw/zinc/27/75/20/532277520.db2.gz VBUAQEVNBFGWHV-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCSc2c(F)cccc21)NC[C@H]1CCCCO1 ZINC000180743571 532279847 /nfs/dbraw/zinc/27/98/47/532279847.db2.gz GOTCGIVOGWPKLG-CJNGLKHVSA-N 1 0 388.530 2.441 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000180788644 532280898 /nfs/dbraw/zinc/28/08/98/532280898.db2.gz FESUDSHQCXGVFK-JTQLQIEISA-N 1 0 387.228 2.332 20 0 GEADRO O=C([C@H]1COc2ccc(Br)cc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000135937280 532281009 /nfs/dbraw/zinc/28/10/09/532281009.db2.gz JYVGPJXRSJIIMB-CJNGLKHVSA-N 1 0 395.297 2.106 20 0 GEADRO O[C@H](C[NH2+]Cc1cncs1)COc1ccc(I)cc1 ZINC000136026114 532281616 /nfs/dbraw/zinc/28/16/16/532281616.db2.gz PPHZFDDOLVRTQC-LLVKDONJSA-N 1 0 390.246 2.277 20 0 GEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000180833823 532283025 /nfs/dbraw/zinc/28/30/25/532283025.db2.gz SGEMWFRMBKLVHK-ZDUSSCGKSA-N 1 0 384.318 2.416 20 0 GEADRO O=C(COc1ccccc1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000136283309 532284199 /nfs/dbraw/zinc/28/41/99/532284199.db2.gz UZHLLSLRQFQWED-UHFFFAOYSA-N 1 0 397.313 2.399 20 0 GEADRO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H](O)CN2CCOCC2)C3)cs1 ZINC000180882411 532284559 /nfs/dbraw/zinc/28/45/59/532284559.db2.gz FGPQMIWZMGSHDB-HNNXBMFYSA-N 1 0 379.551 2.231 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000136730279 532286808 /nfs/dbraw/zinc/28/68/08/532286808.db2.gz VOPMXGAUTGXLRZ-ZDUSSCGKSA-N 1 0 392.301 2.444 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000181034481 532289306 /nfs/dbraw/zinc/28/93/06/532289306.db2.gz CZNNXXSPBRMSGU-RHSMWYFYSA-N 1 0 396.329 2.033 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1 ZINC000181122604 532291348 /nfs/dbraw/zinc/29/13/48/532291348.db2.gz AKLIEWKYWNNQIL-ZDUSSCGKSA-N 1 0 394.313 2.181 20 0 GEADRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181124056 532291524 /nfs/dbraw/zinc/29/15/24/532291524.db2.gz MVTNVODDHGZGGK-XGNXJENSSA-N 1 0 377.503 2.236 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000181312575 532295040 /nfs/dbraw/zinc/29/50/40/532295040.db2.gz ISUVEJUPUGIUIE-UHFFFAOYSA-N 1 0 383.290 2.481 20 0 GEADRO CC1(C)CC(NC(=O)C(=O)Nc2cccnc2Br)CC(C)(C)[NH2+]1 ZINC000181297250 532295054 /nfs/dbraw/zinc/29/50/54/532295054.db2.gz TWVQMPKHPUEVEL-UHFFFAOYSA-N 1 0 383.290 2.208 20 0 GEADRO COCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000141537808 532295047 /nfs/dbraw/zinc/29/50/47/532295047.db2.gz FOMHOGDHXVPJRN-ZDUSSCGKSA-N 1 0 385.302 2.443 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000150879659 532303404 /nfs/dbraw/zinc/30/34/04/532303404.db2.gz ZAYHCDGOQWZCEW-LLVKDONJSA-N 1 0 399.376 2.454 20 0 GEADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000181637222 532303951 /nfs/dbraw/zinc/30/39/51/532303951.db2.gz BKAFDGSSFLVNDD-LRDDRELGSA-N 1 0 382.507 2.192 20 0 GEADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000181681679 532305184 /nfs/dbraw/zinc/30/51/84/532305184.db2.gz DGTUSVRYPNZRSM-TZMCWYRMSA-N 1 0 380.539 2.446 20 0 GEADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000181681699 532305444 /nfs/dbraw/zinc/30/54/44/532305444.db2.gz DGTUSVRYPNZRSM-GXTWGEPZSA-N 1 0 380.539 2.446 20 0 GEADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC000181762762 532306083 /nfs/dbraw/zinc/30/60/83/532306083.db2.gz INCORYIVJQQRRS-UHFFFAOYSA-N 1 0 384.929 2.359 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1cccs1 ZINC000151033170 532306163 /nfs/dbraw/zinc/30/61/63/532306163.db2.gz NDWDPRLWGKPPPH-LLVKDONJSA-N 1 0 397.298 2.263 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cc(F)ccc3Br)C2)CC1 ZINC000137694287 532290389 /nfs/dbraw/zinc/29/03/89/532290389.db2.gz UMGCVVMNBOAPSG-MRXNPFEDSA-N 1 0 398.320 2.369 20 0 GEADRO C[N@H+](CCCn1ccnc1)CC(=O)Nc1ccccc1I ZINC000181086830 532291054 /nfs/dbraw/zinc/29/10/54/532291054.db2.gz NWCBNJQOSPQEPW-UHFFFAOYSA-N 1 0 398.248 2.448 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183352544 532324149 /nfs/dbraw/zinc/32/41/49/532324149.db2.gz VCTMMTXIXUKXRJ-UHFFFAOYSA-N 1 0 383.283 2.217 20 0 GEADRO COc1cc(Br)ccc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000182130175 532309382 /nfs/dbraw/zinc/30/93/82/532309382.db2.gz QRODHSLOADDHSX-UHFFFAOYSA-N 1 0 398.345 2.348 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000182420138 532312925 /nfs/dbraw/zinc/31/29/25/532312925.db2.gz OLGZYLIDNABSFH-MISXGVKJSA-N 1 0 378.416 2.048 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182486040 532313972 /nfs/dbraw/zinc/31/39/72/532313972.db2.gz MWXNBVGPSXBKIS-SNVBAGLBSA-N 1 0 391.260 2.485 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000182606458 532315524 /nfs/dbraw/zinc/31/55/24/532315524.db2.gz VYKHBXXJALMATA-GJZGRUSLSA-N 1 0 395.345 2.475 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cnc1Br ZINC000182681983 532316584 /nfs/dbraw/zinc/31/65/84/532316584.db2.gz YMCWWOYSMKPHLU-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cnc1Br ZINC000182820667 532318230 /nfs/dbraw/zinc/31/82/30/532318230.db2.gz KVEYPESIBSEVKW-DGCLKSJQSA-N 1 0 383.290 2.080 20 0 GEADRO C[N@H+](CCNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)C1CCCC1 ZINC000182820350 532318310 /nfs/dbraw/zinc/31/83/10/532318310.db2.gz HWLCIKJBALTPDH-UHFFFAOYSA-N 1 0 381.420 2.175 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000182889093 532319080 /nfs/dbraw/zinc/31/90/80/532319080.db2.gz XSEVNZNSXVJATI-KRWDZBQOSA-N 1 0 385.961 2.019 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccnc(Cl)c2I)C1 ZINC000182951027 532319430 /nfs/dbraw/zinc/31/94/30/532319430.db2.gz QXSFJWJZMUNUDB-SECBINFHSA-N 1 0 393.656 2.363 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000182989195 532320560 /nfs/dbraw/zinc/32/05/60/532320560.db2.gz PTLPZYLZVDNKSC-UHFFFAOYSA-N 1 0 396.285 2.194 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000182989469 532320859 /nfs/dbraw/zinc/32/08/59/532320859.db2.gz HIVAGVHQMLROIA-LBPRGKRZSA-N 1 0 381.420 2.128 20 0 GEADRO C[NH2+]CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000183122698 532321485 /nfs/dbraw/zinc/32/14/85/532321485.db2.gz CVCRGODBJJEWFJ-UHFFFAOYSA-N 1 0 391.209 2.236 20 0 GEADRO C[C@@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000183219103 532322072 /nfs/dbraw/zinc/32/20/72/532322072.db2.gz KANCEPFSMWANEG-TUAOUCFPSA-N 1 0 388.249 2.321 20 0 GEADRO C[C@@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000183213514 532322084 /nfs/dbraw/zinc/32/20/84/532322084.db2.gz PHJFKWBRZAVMGM-QJPTWQEYSA-N 1 0 388.249 2.321 20 0 GEADRO C[C@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000183219082 532322319 /nfs/dbraw/zinc/32/23/19/532322319.db2.gz KANCEPFSMWANEG-SRVKXCTJSA-N 1 0 388.249 2.321 20 0 GEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000185235307 532337412 /nfs/dbraw/zinc/33/74/12/532337412.db2.gz CYDLIOOWVOWBNR-UHFFFAOYSA-N 1 0 383.258 2.442 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185300501 532337542 /nfs/dbraw/zinc/33/75/42/532337542.db2.gz PTJXJWLSBGZAPB-UHFFFAOYSA-N 1 0 397.317 2.432 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000185337930 532337619 /nfs/dbraw/zinc/33/76/19/532337619.db2.gz ZLACARNFAKIOOV-ZDUSSCGKSA-N 1 0 394.368 2.439 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)N2CCSC[C@H]2c2nccs2)CC1 ZINC000185327820 532337690 /nfs/dbraw/zinc/33/76/90/532337690.db2.gz MBVGFDLFONODOH-HNNXBMFYSA-N 1 0 384.571 2.444 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(Br)s1 ZINC000185495638 532337959 /nfs/dbraw/zinc/33/79/59/532337959.db2.gz OLXXWHVRPVAZHM-LBPRGKRZSA-N 1 0 389.363 2.336 20 0 GEADRO CC(C)C[C@@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000185644526 532338284 /nfs/dbraw/zinc/33/82/84/532338284.db2.gz TZXWXNPWWGWWOF-HNNXBMFYSA-N 1 0 384.318 2.271 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000185754109 532338575 /nfs/dbraw/zinc/33/85/75/532338575.db2.gz XKOQHUVHIZEFJW-ZDUSSCGKSA-N 1 0 389.315 2.317 20 0 GEADRO CSc1ccc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000185825782 532338900 /nfs/dbraw/zinc/33/89/00/532338900.db2.gz ORYUTRICKBSZMM-UHFFFAOYSA-N 1 0 391.990 2.366 20 0 GEADRO COc1nc(C)c(Br)cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000186344831 532340663 /nfs/dbraw/zinc/34/06/63/532340663.db2.gz JZWVYQFDZDOFCA-UHFFFAOYSA-N 1 0 382.262 2.172 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000186709856 532341755 /nfs/dbraw/zinc/34/17/55/532341755.db2.gz SVWKKQBSQLZFPN-MADCSZMMSA-N 1 0 380.176 2.297 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000186797235 532342081 /nfs/dbraw/zinc/34/20/81/532342081.db2.gz HJZZMSRZRZRCFS-WCQYABFASA-N 1 0 399.563 2.016 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000186846008 532342137 /nfs/dbraw/zinc/34/21/37/532342137.db2.gz ZTWOPLSRTQCWGY-NHYWBVRUSA-N 1 0 387.933 2.145 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186880338 532342340 /nfs/dbraw/zinc/34/23/40/532342340.db2.gz RTNCWTCKLMWJQT-ZDUSSCGKSA-N 1 0 399.329 2.304 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000186946294 532342781 /nfs/dbraw/zinc/34/27/81/532342781.db2.gz LRNONCXXYPYTGV-LBPRGKRZSA-N 1 0 387.293 2.434 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000186987204 532342942 /nfs/dbraw/zinc/34/29/42/532342942.db2.gz RJKUPSOKPCVQAB-UHFFFAOYSA-N 1 0 388.961 2.412 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000187096817 532343080 /nfs/dbraw/zinc/34/30/80/532343080.db2.gz MBOWOEJCPWJHHZ-LLVKDONJSA-N 1 0 398.276 2.436 20 0 GEADRO O=S(=O)(CC[NH2+]CC1CCC(C(F)(F)F)CC1)NC[C@@H]1CCCCO1 ZINC000183706768 532327689 /nfs/dbraw/zinc/32/76/89/532327689.db2.gz DMQZOYUFUCTUNP-NRXISQOPSA-N 1 0 386.480 2.433 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184317369 532332000 /nfs/dbraw/zinc/33/20/00/532332000.db2.gz AMJFHBJMDTXVEM-UHTWSYAYSA-N 1 0 380.491 2.046 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1cc(Br)ccc1F ZINC000184367874 532332244 /nfs/dbraw/zinc/33/22/44/532332244.db2.gz MQRAZYDGGMPJJT-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO O[C@H](CN1CC[NH+](C2CCOCC2)CC1)c1ccc(F)c(Br)c1 ZINC000185017059 532336520 /nfs/dbraw/zinc/33/65/20/532336520.db2.gz MVQQQTVAEQHDNP-QGZVFWFLSA-N 1 0 387.293 2.418 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187802901 532345645 /nfs/dbraw/zinc/34/56/45/532345645.db2.gz LVVZQHCPYUOLPJ-ZDUSSCGKSA-N 1 0 397.317 2.289 20 0 GEADRO CC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H](C)Cc1ccsc1 ZINC000187803772 532345672 /nfs/dbraw/zinc/34/56/72/532345672.db2.gz SPGJWVGPIVBYRH-CYBMUJFWSA-N 1 0 381.523 2.287 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000187828291 532345763 /nfs/dbraw/zinc/34/57/63/532345763.db2.gz OIEUCTSRQOYUQA-GFCCVEGCSA-N 1 0 396.260 2.308 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000188033537 532346345 /nfs/dbraw/zinc/34/63/45/532346345.db2.gz LZPNHUIDYLAFBQ-CYBMUJFWSA-N 1 0 384.318 2.436 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1cccc(Br)c1 ZINC000188031403 532346381 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20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188654278 532348944 /nfs/dbraw/zinc/34/89/44/532348944.db2.gz GBJVAGUMPQAOSS-VIFPVBQESA-N 1 0 381.249 2.318 20 0 GEADRO CC(C)(C)NC(=O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188692814 532349242 /nfs/dbraw/zinc/34/92/42/532349242.db2.gz PSNOIQQHPLPUHG-UHFFFAOYSA-N 1 0 384.318 2.290 20 0 GEADRO CCOc1cc(CN2CC[NH+](C[C@@H](C)O)CC2)cc(Br)c1OC ZINC000188733843 532349346 /nfs/dbraw/zinc/34/93/46/532349346.db2.gz HWSWNKUOJUZGJL-CYBMUJFWSA-N 1 0 387.318 2.355 20 0 GEADRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188752397 532349519 /nfs/dbraw/zinc/34/95/19/532349519.db2.gz HDJNBZOBVNNJTJ-MRXNPFEDSA-N 1 0 396.329 2.386 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CC[N@@H+]1CC(C)(C)O ZINC000188890783 532349953 /nfs/dbraw/zinc/34/99/53/532349953.db2.gz PGRQRUSBEXGICM-SNVBAGLBSA-N 1 0 380.436 2.149 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(Br)c(F)cc1F ZINC000189152925 532351136 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CC(C)[C@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[NH2+]1 ZINC000647255607 532372707 /nfs/dbraw/zinc/37/27/07/532372707.db2.gz HJEDDBHYNGEYOE-CQSZACIVSA-N 1 0 390.347 2.134 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC[C@@H]1[NH3+] ZINC000647268627 532373232 /nfs/dbraw/zinc/37/32/32/532373232.db2.gz FENALOQSOCJJNW-GWCFXTLKSA-N 1 0 389.315 2.132 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000463426414 532373419 /nfs/dbraw/zinc/37/34/19/532373419.db2.gz AGPCZHVZCVCNSU-NSHDSACASA-N 1 0 398.248 2.382 20 0 GEADRO C[N@@H+]1CCCC12CCN(C(=O)CNC(=O)c1ccc(Br)cc1)CC2 ZINC000372141023 532373565 /nfs/dbraw/zinc/37/35/65/532373565.db2.gz VILIKBKGHAWOEQ-UHFFFAOYSA-N 1 0 394.313 2.266 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(OC)ccc2Br)CC[C@H]1[NH3+] ZINC000647268670 532373597 /nfs/dbraw/zinc/37/35/97/532373597.db2.gz FSHPYSVPDSSHBD-GXFFZTMASA-N 1 0 377.304 2.206 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000590479296 532373771 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CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000191454507 532361010 /nfs/dbraw/zinc/36/10/10/532361010.db2.gz LFHPDWZFGMVXDM-LBPRGKRZSA-N 1 0 388.306 2.132 20 0 GEADRO COC(=O)CNC(=O)CC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191465444 532361137 /nfs/dbraw/zinc/36/11/37/532361137.db2.gz JNKQJEGFYPFSSA-UHFFFAOYSA-N 1 0 383.286 2.340 20 0 GEADRO CSCC[C@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425082878 532362985 /nfs/dbraw/zinc/36/29/85/532362985.db2.gz PGHMDJHHSHKZIJ-NSHDSACASA-N 1 0 385.559 2.028 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277765659 532363194 /nfs/dbraw/zinc/36/31/94/532363194.db2.gz XNGFIINWPLCJSD-GFCCVEGCSA-N 1 0 375.922 2.273 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000557381216 532363355 /nfs/dbraw/zinc/36/33/55/532363355.db2.gz SPCMTEPQDMCRPC-CYBMUJFWSA-N 1 0 396.329 2.180 20 0 GEADRO COc1cc2[nH+]ccc(NC[C@@H]3CCCS3(=O)=O)c2cc1Br ZINC000425230787 532378413 /nfs/dbraw/zinc/37/84/13/532378413.db2.gz DBQZMUIJSYWLHF-JTQLQIEISA-N 1 0 385.283 2.417 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000646998119 532363857 /nfs/dbraw/zinc/36/38/57/532363857.db2.gz PPEXUHFGWNNXMC-QWRGUYRKSA-N 1 0 389.315 2.161 20 0 GEADRO C[NH+]1CCN(CCNC(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000294528701 532364248 /nfs/dbraw/zinc/36/42/48/532364248.db2.gz UHRATXNDWLVVMN-UHFFFAOYSA-N 1 0 378.673 2.219 20 0 GEADRO CC[NH+]1CCN(Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)CC1 ZINC000294551791 532366034 /nfs/dbraw/zinc/36/60/34/532366034.db2.gz KRFMVMWFCJCNPN-CYBMUJFWSA-N 1 0 384.318 2.100 20 0 GEADRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cc(Br)c[nH]c2=O)C[C@@H](C)O1 ZINC000621723895 532366113 /nfs/dbraw/zinc/36/61/13/532366113.db2.gz ULEPIBFDMXONRY-BZPMIXESSA-N 1 0 398.301 2.264 20 0 GEADRO CS(=O)(=O)c1ccc(OCC[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000463168859 532368936 /nfs/dbraw/zinc/36/89/36/532368936.db2.gz ZMGWTIVUYJYTKS-UHFFFAOYSA-N 1 0 381.523 2.184 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000463220677 532369544 /nfs/dbraw/zinc/36/95/44/532369544.db2.gz DOXAXCWZHFGDGX-OAHLLOKOSA-N 1 0 385.302 2.132 20 0 GEADRO OC[C@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCC1(F)F ZINC000463220205 532369913 /nfs/dbraw/zinc/36/99/13/532369913.db2.gz QGTALUYFWQMTKP-ZWNOBZJWSA-N 1 0 398.219 2.277 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cscc2C(F)(F)F)CC1 ZINC000621862368 532370387 /nfs/dbraw/zinc/37/03/87/532370387.db2.gz GWZTVQBYJGMSGC-UHFFFAOYSA-N 1 0 377.432 2.439 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621858774 532370520 /nfs/dbraw/zinc/37/05/20/532370520.db2.gz CZCWSPFFMOBLTB-NSHDSACASA-N 1 0 385.258 2.018 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NCC[NH+]2CCCC2)cc1Cl ZINC000191859570 532371192 /nfs/dbraw/zinc/37/11/92/532371192.db2.gz DXHWINNHDWIJHL-UHFFFAOYSA-N 1 0 397.722 2.485 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)CCO1 ZINC000647235324 532371856 /nfs/dbraw/zinc/37/18/56/532371856.db2.gz WTERLAGSGNBVRX-BXUZGUMPSA-N 1 0 399.310 2.339 20 0 GEADRO O=C(N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000647708162 532380040 /nfs/dbraw/zinc/38/00/40/532380040.db2.gz JNODYIOOGNJMOF-HOTGVXAUSA-N 1 0 379.298 2.148 20 0 GEADRO COc1ccc(CCC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1Br ZINC000647707682 532380162 /nfs/dbraw/zinc/38/01/62/532380162.db2.gz BNICGGILNDBYJZ-LSDHHAIUSA-N 1 0 397.313 2.058 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706684 532380192 /nfs/dbraw/zinc/38/01/92/532380192.db2.gz OSZJMTCQSHJIQJ-BPLDGKMQSA-N 1 0 399.304 2.434 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000516168408 532380351 /nfs/dbraw/zinc/38/03/51/532380351.db2.gz ZVSPWVYJUHKVKO-ZDUSSCGKSA-N 1 0 390.311 2.320 20 0 GEADRO O=C(CCCOc1cccc(Br)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647708136 532380489 /nfs/dbraw/zinc/38/04/89/532380489.db2.gz JDWLNRBDOPAWTQ-JKSUJKDBSA-N 1 0 397.313 2.276 20 0 GEADRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000294768222 532381227 /nfs/dbraw/zinc/38/12/27/532381227.db2.gz NAKZYWNZOMFOSP-OPFPJEHXSA-N 1 0 391.530 2.483 20 0 GEADRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000647710566 532381606 /nfs/dbraw/zinc/38/16/06/532381606.db2.gz FSKJNMMIVCMRRM-JTQLQIEISA-N 1 0 388.251 2.213 20 0 GEADRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000677694507 532381678 /nfs/dbraw/zinc/38/16/78/532381678.db2.gz ZXCAELBUZYAVGK-UONOGXRCSA-N 1 0 385.917 2.210 20 0 GEADRO Cc1c(Br)cccc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000463754154 532382012 /nfs/dbraw/zinc/38/20/12/532382012.db2.gz ZFRIYUHTMUDFKY-UHFFFAOYSA-N 1 0 396.329 2.430 20 0 GEADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000516178835 532382040 /nfs/dbraw/zinc/38/20/40/532382040.db2.gz JBLTYJBFSFBMNX-JKSUJKDBSA-N 1 0 394.313 2.371 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000647888456 532382479 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CN(C)S(=O)(=O)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000425413175 532385364 /nfs/dbraw/zinc/38/53/64/532385364.db2.gz BBFREPNEUSAWFO-WMLDXEAASA-N 1 0 383.583 2.447 20 0 GEADRO Cn1ncc(Br)c1C[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000278537471 532385412 /nfs/dbraw/zinc/38/54/12/532385412.db2.gz SOEQPDKKGSBVRE-INIZCTEOSA-N 1 0 393.329 2.216 20 0 GEADRO O=C(c1cc2c(cncc2Br)s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000648138421 532386175 /nfs/dbraw/zinc/38/61/75/532386175.db2.gz XWPDOPMPRJQZDX-NSHDSACASA-N 1 0 395.326 2.179 20 0 GEADRO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000516435421 532386722 /nfs/dbraw/zinc/38/67/22/532386722.db2.gz AZSCOXPMSMGYGM-CQSZACIVSA-N 1 0 389.924 2.175 20 0 GEADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000558157033 532386773 /nfs/dbraw/zinc/38/67/73/532386773.db2.gz NPSIFYWZLXHWAR-DOTOQJQBSA-N 1 0 399.329 2.427 20 0 GEADRO CC[C@@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC[C@@H]1[NH3+] ZINC000648126345 532386782 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CC[C@H](CNS(C)(=O)=O)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000295126478 532405750 /nfs/dbraw/zinc/40/57/50/532405750.db2.gz XKPDIPBQGSASJG-CYBMUJFWSA-N 1 0 391.940 2.361 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)sc1Cl ZINC000372761519 532406753 /nfs/dbraw/zinc/40/67/53/532406753.db2.gz ZMWJURWLATUDFU-UONOGXRCSA-N 1 0 391.990 2.356 20 0 GEADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)c1ccc(Br)cc1 ZINC000464802121 532407207 /nfs/dbraw/zinc/40/72/07/532407207.db2.gz OSKAAZMCFZONKH-FZKQIMNGSA-N 1 0 394.313 2.228 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000464880689 532407247 /nfs/dbraw/zinc/40/72/47/532407247.db2.gz LWJGPPQUCFCOFE-ZIAGYGMSSA-N 1 0 396.329 2.368 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000192745298 532407684 /nfs/dbraw/zinc/40/76/84/532407684.db2.gz KBRMKCSXHHDYIF-UHFFFAOYSA-N 1 0 379.302 2.250 20 0 GEADRO Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000591326663 532407823 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O[C@@H]1CCC[C@H]1[NH+]1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000372899392 532418491 /nfs/dbraw/zinc/41/84/91/532418491.db2.gz IWAHXZHXQDZFFN-IAGOWNOFSA-N 1 0 387.293 2.498 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC2(S(C)(=O)=O)CC2)cc1 ZINC000280959964 532418801 /nfs/dbraw/zinc/41/88/01/532418801.db2.gz KLJFYFGBLCFLAQ-IAGOWNOFSA-N 1 0 385.551 2.247 20 0 GEADRO CN(C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC[NH+](C)CC1 ZINC000193010759 532417793 /nfs/dbraw/zinc/41/77/93/532417793.db2.gz KYJBTXSESNCYNY-CYBMUJFWSA-N 1 0 394.313 2.355 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000193335553 532420812 /nfs/dbraw/zinc/42/08/12/532420812.db2.gz BIPTYRGFPGXDIM-ZDUSSCGKSA-N 1 0 395.301 2.035 20 0 GEADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000193335290 532420869 /nfs/dbraw/zinc/42/08/69/532420869.db2.gz BMABKIMDTOZFJN-UKRRQHHQSA-N 1 0 388.917 2.128 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000560527007 532419522 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CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000625385329 532422529 /nfs/dbraw/zinc/42/25/29/532422529.db2.gz MSQMJHDWHFJRIH-LBPRGKRZSA-N 1 0 377.432 2.326 20 0 GEADRO COC[C@@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000281244643 532422739 /nfs/dbraw/zinc/42/27/39/532422739.db2.gz WRCOPMVPEPGGBJ-NOZJJQNGSA-N 1 0 377.304 2.172 20 0 GEADRO CC1(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]CC1 ZINC000193378737 532422955 /nfs/dbraw/zinc/42/29/55/532422955.db2.gz HWAFWGRDJFQXNX-AWEZNQCLSA-N 1 0 380.286 2.060 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1)c1cccs1 ZINC000193353699 532423031 /nfs/dbraw/zinc/42/30/31/532423031.db2.gz YCUATBALBRYNIO-KRWDZBQOSA-N 1 0 380.535 2.094 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281150109 532421383 /nfs/dbraw/zinc/42/13/83/532421383.db2.gz OXUUEPFZCBOZNS-MISXGVKJSA-N 1 0 391.331 2.298 20 0 GEADRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000281240186 532422022 /nfs/dbraw/zinc/42/20/22/532422022.db2.gz UNFKICAZWDTGGQ-FZKQIMNGSA-N 1 0 396.329 2.254 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C[C@H](O)CC1(O)CCC1 ZINC000625387016 532422115 /nfs/dbraw/zinc/42/21/15/532422115.db2.gz JMBIOEYBCUBSTJ-MRXNPFEDSA-N 1 0 395.301 2.128 20 0 GEADRO CC1(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]CC1 ZINC000193378756 532422231 /nfs/dbraw/zinc/42/22/31/532422231.db2.gz HWAFWGRDJFQXNX-CQSZACIVSA-N 1 0 380.286 2.060 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C1 ZINC000193390209 532423803 /nfs/dbraw/zinc/42/38/03/532423803.db2.gz LZMKWBWHKODCNE-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000466285156 532423986 /nfs/dbraw/zinc/42/39/86/532423986.db2.gz DOHJVCSQIVEXJD-YGRLFVJLSA-N 1 0 396.285 2.460 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000517741326 532424896 /nfs/dbraw/zinc/42/48/96/532424896.db2.gz JDNWIIZIYCWPTB-SNVBAGLBSA-N 1 0 395.294 2.489 20 0 GEADRO Cc1csc(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1Cl ZINC000517739040 532425003 /nfs/dbraw/zinc/42/50/03/532425003.db2.gz IJQYMRHSMBZNRO-STQMWFEESA-N 1 0 382.917 2.070 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN(C)CCC[NH+](C)C ZINC000517852718 532428551 /nfs/dbraw/zinc/42/85/51/532428551.db2.gz UTALVDXQRICVPE-CYBMUJFWSA-N 1 0 386.334 2.346 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000427630356 532428974 /nfs/dbraw/zinc/42/89/74/532428974.db2.gz RJHDNEATIIBIKE-SOUVJXGZSA-N 1 0 376.444 2.113 20 0 GEADRO COCCNC(=O)C1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000681399028 532428990 /nfs/dbraw/zinc/42/89/90/532428990.db2.gz VNAKLJBYIVSISP-UHFFFAOYSA-N 1 0 395.301 2.300 20 0 GEADRO CN(C(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1)C1CC[NH2+]CC1 ZINC000373040900 532428983 /nfs/dbraw/zinc/42/89/83/532428983.db2.gz WEWGFHXQTNSIIA-CYBMUJFWSA-N 1 0 381.318 2.271 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000625423086 532426987 /nfs/dbraw/zinc/42/69/87/532426987.db2.gz BVOCRLLXVLMRBU-LBPRGKRZSA-N 1 0 376.906 2.367 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000561003720 532427103 /nfs/dbraw/zinc/42/71/03/532427103.db2.gz SZDWFRMSKWTPEI-GFCCVEGCSA-N 1 0 384.267 2.679 20 0 GEADRO COCC[N@@H+]1CCN(CC(=O)Nc2ccccc2Br)C(C)(C)C1 ZINC000649849876 532429137 /nfs/dbraw/zinc/42/91/37/532429137.db2.gz NKUVHDJSBFTPDA-UHFFFAOYSA-N 1 0 384.318 2.430 20 0 GEADRO O=C(Cn1cnc(Br)n1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000295289742 532430466 /nfs/dbraw/zinc/43/04/66/532430466.db2.gz JGWBZLPETMRYNF-UHFFFAOYSA-N 1 0 396.314 2.228 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000281681261 532430550 /nfs/dbraw/zinc/43/05/50/532430550.db2.gz MZDMKYFOTIXNLG-UHFFFAOYSA-N 1 0 380.645 2.248 20 0 GEADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427689811 532431042 /nfs/dbraw/zinc/43/10/42/532431042.db2.gz QOEWAMYOLZGIBY-WFASDCNBSA-N 1 0 377.432 2.491 20 0 GEADRO CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561207015 532432255 /nfs/dbraw/zinc/43/22/55/532432255.db2.gz OMPBZQFQLADZOP-UHFFFAOYSA-N 1 0 387.311 2.046 20 0 GEADRO CCOC(=O)[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000591953020 532431296 /nfs/dbraw/zinc/43/12/96/532431296.db2.gz OQIIWLLBGQRNLH-YVEFUNNKSA-N 1 0 383.286 2.425 20 0 GEADRO CC[NH2+]CCCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000561202868 532431856 /nfs/dbraw/zinc/43/18/56/532431856.db2.gz GVANOKNSMWBHGJ-UHFFFAOYSA-N 1 0 380.290 2.434 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)[C@H](C[NH3+])C1 ZINC000561197862 532431933 /nfs/dbraw/zinc/43/19/33/532431933.db2.gz HHIZXMYXLRJVNQ-XHSDSOJGSA-N 1 0 397.317 2.443 20 0 GEADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000626153493 532435808 /nfs/dbraw/zinc/43/58/08/532435808.db2.gz KKCCKQCUWKGSCK-HOTGVXAUSA-N 1 0 385.302 2.179 20 0 GEADRO C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)c3cccc(Cl)c3F)C2)CC1 ZINC000373165420 532436697 /nfs/dbraw/zinc/43/66/97/532436697.db2.gz HKCKYYBCLJWNOR-CQSZACIVSA-N 1 0 389.924 2.270 20 0 GEADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000373171875 532436985 /nfs/dbraw/zinc/43/69/85/532436985.db2.gz CYCGYSQNCRBHHK-ILWJIGKKSA-N 1 0 380.695 2.140 20 0 GEADRO CC[NH2+]CCCNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C ZINC000561204009 532432518 /nfs/dbraw/zinc/43/25/18/532432518.db2.gz AORZZJYQCRUWNY-AWEZNQCLSA-N 1 0 386.334 2.207 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561231225 532433356 /nfs/dbraw/zinc/43/33/56/532433356.db2.gz RJGBZWFUAPNEBU-GOSISDBHSA-N 1 0 384.307 2.254 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000561229890 532433930 /nfs/dbraw/zinc/43/39/30/532433930.db2.gz HMSQLGGJCCNYSL-SYAUCNOPSA-N 1 0 394.313 2.055 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000681623313 532434102 /nfs/dbraw/zinc/43/41/02/532434102.db2.gz KFTSLAYFRLKARF-UHFFFAOYSA-N 1 0 394.273 2.093 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000626168504 532434948 /nfs/dbraw/zinc/43/49/48/532434948.db2.gz TXAWWAJUKWDZQO-KGLIPLIRSA-N 1 0 387.933 2.237 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000427866290 532434833 /nfs/dbraw/zinc/43/48/33/532434833.db2.gz KUOFFZZEJASBER-LERXQTSPSA-N 1 0 377.254 2.454 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)cc3N)C2)CC1 ZINC000592219843 532441325 /nfs/dbraw/zinc/44/13/25/532441325.db2.gz YIMURYYAZJWAPT-OAHLLOKOSA-N 1 0 395.345 2.272 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N1CC[C@@H]([NH3+])c2cc(OC)ccc21 ZINC000373183374 532437363 /nfs/dbraw/zinc/43/73/63/532437363.db2.gz PYQDTSGGRDXQFC-GFCCVEGCSA-N 1 0 382.463 2.142 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1cccc(I)c1 ZINC000193929805 532437510 /nfs/dbraw/zinc/43/75/10/532437510.db2.gz UBVMOIVPNZNFDS-ZDUSSCGKSA-N 1 0 388.249 2.271 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000193940657 532438066 /nfs/dbraw/zinc/43/80/66/532438066.db2.gz JCJYXWVTBBXHKO-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000427961846 532439931 /nfs/dbraw/zinc/43/99/31/532439931.db2.gz ZIHUZYBCWZWNSR-CQSZACIVSA-N 1 0 382.379 2.489 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000518348279 532440449 /nfs/dbraw/zinc/44/04/49/532440449.db2.gz JKSUASOZQZAWCL-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000626838847 532442514 /nfs/dbraw/zinc/44/25/14/532442514.db2.gz PRGILDNOLZOAQC-DGCLKSJQSA-N 1 0 392.297 2.071 20 0 GEADRO CC[N@@H+]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C ZINC000682186142 532442747 /nfs/dbraw/zinc/44/27/47/532442747.db2.gz DRRLKBUBWCOENI-IUODEOHRSA-N 1 0 375.282 2.354 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000626847808 532443893 /nfs/dbraw/zinc/44/38/93/532443893.db2.gz VLKZIPVYPQWFCR-GFCCVEGCSA-N 1 0 390.228 2.122 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626839690 532443980 /nfs/dbraw/zinc/44/39/80/532443980.db2.gz OBXWQMSSDXLYSC-UHFFFAOYSA-N 1 0 392.297 2.086 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000428121680 532444260 /nfs/dbraw/zinc/44/42/60/532444260.db2.gz QIGVFHKWTOTIPL-UHFFFAOYSA-N 1 0 382.180 2.132 20 0 GEADRO Cc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)ccc1I ZINC000467373419 532444912 /nfs/dbraw/zinc/44/49/12/532444912.db2.gz MCYDGSWPTDKKES-LBPRGKRZSA-N 1 0 379.263 2.266 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000682433973 532445491 /nfs/dbraw/zinc/44/54/91/532445491.db2.gz JXGWSYRJQHSTBQ-UHFFFAOYSA-N 1 0 392.244 2.466 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000626949722 532446728 /nfs/dbraw/zinc/44/67/28/532446728.db2.gz VXONTKHCKXCCPF-HEHGZKQESA-N 1 0 381.318 2.325 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)C[NH2+]1 ZINC000626962748 532447040 /nfs/dbraw/zinc/44/70/40/532447040.db2.gz TVEFATGEEVLXMT-SWLSCSKDSA-N 1 0 397.317 2.009 20 0 GEADRO CC(C)[C@@H]1CN(c2c(F)cc(S(N)(=O)=O)cc2Br)CCN1C ZINC000428252098 532447451 /nfs/dbraw/zinc/44/74/51/532447451.db2.gz DZERELLTBOVIIL-ZDUSSCGKSA-N 1 0 394.310 2.012 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000428217851 532448279 /nfs/dbraw/zinc/44/82/79/532448279.db2.gz LACIJBWNDPWSRF-NEPJUHHUSA-N 1 0 396.251 2.473 20 0 GEADRO CC1([NH3+])CCN(C(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000592329351 532448708 /nfs/dbraw/zinc/44/87/08/532448708.db2.gz YLIINSKBOOXHEH-UHFFFAOYSA-N 1 0 384.221 2.121 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(Cl)c(N)c3Cl)CC2)C1=O ZINC000518982988 532452153 /nfs/dbraw/zinc/45/21/53/532452153.db2.gz AYJHCPRTHKWFJF-ZDUSSCGKSA-N 1 0 385.295 2.001 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)[C@@H]1SC ZINC000592375499 532452180 /nfs/dbraw/zinc/45/21/80/532452180.db2.gz KKYZZNOHDGIRMZ-MRRJBJDNSA-N 1 0 388.917 2.211 20 0 GEADRO CC(C)(C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1Br ZINC000627264889 532449459 /nfs/dbraw/zinc/44/94/59/532449459.db2.gz AEQDBJHJAYDXIC-UONOGXRCSA-N 1 0 381.314 2.394 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000592340287 532450070 /nfs/dbraw/zinc/45/00/70/532450070.db2.gz LWQBEHVZWLVWQZ-CHWSQXEVSA-N 1 0 393.887 2.290 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCN1CCCC1 ZINC000295474988 532450410 /nfs/dbraw/zinc/45/04/10/532450410.db2.gz RUDDEQFDHGFTKY-CYBMUJFWSA-N 1 0 384.318 2.148 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCCSc1ccc(Cl)cc1)C2 ZINC000627301465 532450818 /nfs/dbraw/zinc/45/08/18/532450818.db2.gz GMNKGTREVPAWJN-HDICACEKSA-N 1 0 381.929 2.006 20 0 GEADRO Cn1nc(Br)cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373446631 532450867 /nfs/dbraw/zinc/45/08/67/532450867.db2.gz YEFYMULRNROQKE-GASCZTMLSA-N 1 0 389.297 2.387 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)C1 ZINC000428418516 532451612 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IIHQJUJNOQBVON-WFASDCNBSA-N 1 0 382.302 2.024 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000195106592 532470154 /nfs/dbraw/zinc/47/01/54/532470154.db2.gz BMYGTAQOYJZPIQ-AWEZNQCLSA-N 1 0 385.917 2.078 20 0 GEADRO C[N@H+](CC(=O)NC[C@@H]1CSCCN1Cc1ccccc1)[C@@H]1CCSC1 ZINC000429049888 532470288 /nfs/dbraw/zinc/47/02/88/532470288.db2.gz XFCLLEFPJAGSND-QZTJIDSGSA-N 1 0 379.595 2.158 20 0 GEADRO CN1C(=O)C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000373833193 532473494 /nfs/dbraw/zinc/47/34/94/532473494.db2.gz SSTBGHPMQNJUGO-HQQWDMGQSA-N 1 0 391.320 2.290 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000195127498 532470797 /nfs/dbraw/zinc/47/07/97/532470797.db2.gz CXRRPRHQMNABJE-LBPRGKRZSA-N 1 0 396.866 2.483 20 0 GEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nscc1Br ZINC000651416378 532470962 /nfs/dbraw/zinc/47/09/62/532470962.db2.gz FHLNCLNWHBHAOQ-INIZCTEOSA-N 1 0 396.310 2.272 20 0 GEADRO OC[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1ccccc1Br ZINC000684195570 532471280 /nfs/dbraw/zinc/47/12/80/532471280.db2.gz BSFUESPFWSYDMR-KBPBESRZSA-N 1 0 379.302 2.128 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(Br)cc1 ZINC000429171539 532471486 /nfs/dbraw/zinc/47/14/86/532471486.db2.gz NULSHJNTHRXEJY-KNXALSJPSA-N 1 0 382.302 2.212 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)Cc1cccnc1 ZINC000519608330 532471570 /nfs/dbraw/zinc/47/15/70/532471570.db2.gz NECOFXHUBCZPDM-DOTOQJQBSA-N 1 0 395.297 2.025 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000684172775 532471789 /nfs/dbraw/zinc/47/17/89/532471789.db2.gz OMDRUKMEQBTOEA-UHFFFAOYSA-N 1 0 375.270 2.413 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1ccccc1Br ZINC000684195572 532471806 /nfs/dbraw/zinc/47/18/06/532471806.db2.gz BSFUESPFWSYDMR-UONOGXRCSA-N 1 0 379.302 2.128 20 0 GEADRO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)CS1 ZINC000373800483 532472069 /nfs/dbraw/zinc/47/20/69/532472069.db2.gz NVDKLRWKPRRXIC-DOTOQJQBSA-N 1 0 390.615 2.469 20 0 GEADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CC2(CS(C)(=O)=O)CC2)cc1 ZINC000519644530 532473217 /nfs/dbraw/zinc/47/32/17/532473217.db2.gz YNORKHGIXBWDAB-UHFFFAOYSA-N 1 0 387.567 2.172 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)NCCCCn2cc(Br)cn2)cn1 ZINC000684230376 532473250 /nfs/dbraw/zinc/47/32/50/532473250.db2.gz ISUZMQPGURFNLP-UHFFFAOYSA-N 1 0 398.309 2.006 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651330736 532467487 /nfs/dbraw/zinc/46/74/87/532467487.db2.gz FOXNSKRSOFIUQZ-HNNXBMFYSA-N 1 0 396.329 2.069 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000683914319 532467530 /nfs/dbraw/zinc/46/75/30/532467530.db2.gz VKAHJDARTIJBGZ-QGZVFWFLSA-N 1 0 381.314 2.396 20 0 GEADRO Cc1ccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)c(=O)n1C ZINC000519760350 532477233 /nfs/dbraw/zinc/47/72/33/532477233.db2.gz QCBHBKCYLUIVKN-OAHLLOKOSA-N 1 0 399.260 2.125 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000628904726 532477726 /nfs/dbraw/zinc/47/77/26/532477726.db2.gz SHZSPSPDOJKRTR-UHFFFAOYSA-N 1 0 382.302 2.479 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373929539 532478380 /nfs/dbraw/zinc/47/83/80/532478380.db2.gz PNORMSJLXUFURC-HZPDHXFCSA-N 1 0 394.313 2.312 20 0 GEADRO CS(=O)(=O)NCCC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000373907510 532478436 /nfs/dbraw/zinc/47/84/36/532478436.db2.gz RLZHSNTZVNIOST-UHFFFAOYSA-N 1 0 376.404 2.124 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000195481825 532478825 /nfs/dbraw/zinc/47/88/25/532478825.db2.gz VRNQKRBYHJZIGS-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO CS(=O)(=O)N1CCN(CC[NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000684613139 532479740 /nfs/dbraw/zinc/47/97/40/532479740.db2.gz BZKINMRLFVLICD-UHFFFAOYSA-N 1 0 394.368 2.093 20 0 GEADRO C[C@](O)(C[NH2+]CCCNC(=O)c1ccc(Br)cc1)C(F)(F)F ZINC000519818037 532479905 /nfs/dbraw/zinc/47/99/05/532479905.db2.gz JIWJRFLZZXICDE-ZDUSSCGKSA-N 1 0 383.208 2.472 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NCc1nnnn1-c1ccccc1Br ZINC000562727747 532480956 /nfs/dbraw/zinc/48/09/56/532480956.db2.gz LFJLRMZZVLCRSV-UHFFFAOYSA-N 1 0 379.306 2.389 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H](c2nccn2C)C(C)(C)CO)cc1Cl ZINC000295860309 532481899 /nfs/dbraw/zinc/48/18/99/532481899.db2.gz XVGNACFPAYZKTB-AWEZNQCLSA-N 1 0 387.889 2.120 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Br)cc(Br)c1 ZINC000629174107 532482158 /nfs/dbraw/zinc/48/21/58/532482158.db2.gz YQNARONRWSZUMD-GFCCVEGCSA-N 1 0 392.091 2.008 20 0 GEADRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000629173795 532482602 /nfs/dbraw/zinc/48/26/02/532482602.db2.gz VHWJYZPCXWVXGK-CYBMUJFWSA-N 1 0 383.279 2.284 20 0 GEADRO O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[NH+](CC2CC2)CC1 ZINC000468952449 532482763 /nfs/dbraw/zinc/48/27/63/532482763.db2.gz MNANIZIWXVECKD-HNNXBMFYSA-N 1 0 392.297 2.429 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000651621821 532482904 /nfs/dbraw/zinc/48/29/04/532482904.db2.gz DHDVTSMFWKTFKU-GUYCJALGSA-N 1 0 389.924 2.126 20 0 GEADRO COCC[C@@]1(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)CC[NH2+]C1 ZINC000429755374 532483134 /nfs/dbraw/zinc/48/31/34/532483134.db2.gz HQZRVJLLNCVVIO-KRWDZBQOSA-N 1 0 388.295 2.407 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(Br)c1OC ZINC000562795810 532484092 /nfs/dbraw/zinc/48/40/92/532484092.db2.gz ADVXEACOIIDPMA-CHWSQXEVSA-N 1 0 398.301 2.217 20 0 GEADRO C[N@H+]1C[C@H]2CN(c3ncnc4cc(I)sc43)C[C@H]2C1 ZINC000593469173 532484238 /nfs/dbraw/zinc/48/42/38/532484238.db2.gz MMPOSAHPNMRCJL-DTORHVGOSA-N 1 0 386.262 2.294 20 0 GEADRO [NH3+]C1C[C@H]2CS(=O)(=O)C[C@@H](C1)C2NC(=O)CCCCCc1cccs1 ZINC000374011007 532484460 /nfs/dbraw/zinc/48/44/60/532484460.db2.gz BFVRBJJRSBIZGU-FLOBVVSRSA-N 1 0 384.567 2.118 20 0 GEADRO C[C@@H](CC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000429932803 532484784 /nfs/dbraw/zinc/48/47/84/532484784.db2.gz VFMCZUKDTVPHDY-MEDUHNTESA-N 1 0 382.302 2.118 20 0 GEADRO O=C(Nc1cc2ccc(Br)cn2n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000429950270 532485423 /nfs/dbraw/zinc/48/54/23/532485423.db2.gz HSIDQJIKGWGMBH-CYBMUJFWSA-N 1 0 392.301 3.046 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCC1 ZINC000562815405 532485503 /nfs/dbraw/zinc/48/55/03/532485503.db2.gz KPXVRFSGSJBLNG-UHFFFAOYSA-N 1 0 378.523 2.312 20 0 GEADRO C[C@@H](CNC(=O)CCOc1ccccc1I)[NH+](C)C ZINC000468992263 532485806 /nfs/dbraw/zinc/48/58/06/532485806.db2.gz PALPXDFXKWWFCP-NSHDSACASA-N 1 0 376.238 2.126 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc3ccc(Br)cn3n2)C1 ZINC000429955492 532486394 /nfs/dbraw/zinc/48/63/94/532486394.db2.gz PMRFYTJNKAICOZ-CQSZACIVSA-N 1 0 380.290 3.045 20 0 GEADRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000374048806 532486942 /nfs/dbraw/zinc/48/69/42/532486942.db2.gz FQCUZYIMCBBIBZ-FGEZKYSXSA-N 1 0 389.315 2.315 20 0 GEADRO COCC[C@@]1(C(=O)NC[C@@H](C)Oc2ccccc2Br)CC[NH2+]C1 ZINC000430006808 532487327 /nfs/dbraw/zinc/48/73/27/532487327.db2.gz FVMUXHFQRNIHFU-DYVFJYSZSA-N 1 0 385.302 2.349 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2csc(Br)c2)CC1 ZINC000520240661 532487705 /nfs/dbraw/zinc/48/77/05/532487705.db2.gz IPHXKRMFGQDGMH-UHFFFAOYSA-N 1 0 388.331 2.183 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1ccc(Br)cc1F ZINC000374078056 532487796 /nfs/dbraw/zinc/48/77/96/532487796.db2.gz ADNZCVLRRRELCZ-BXUZGUMPSA-N 1 0 384.249 2.127 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)c1ccc(Cl)s1 ZINC000430075501 532488594 /nfs/dbraw/zinc/48/85/94/532488594.db2.gz BGTMSQCIXKBFDE-AWEZNQCLSA-N 1 0 378.881 2.467 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000374084376 532489102 /nfs/dbraw/zinc/48/91/02/532489102.db2.gz PPPRECTVIUZOSJ-KCQAQPDRSA-N 1 0 388.917 2.126 20 0 GEADRO O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)C1(c2cncc(Br)c2)CC1 ZINC000282710280 532489239 /nfs/dbraw/zinc/48/92/39/532489239.db2.gz LCIQIPMWBWOOFN-AWEZNQCLSA-N 1 0 394.313 2.056 20 0 GEADRO O=C(N1CC[C@H](C[NH+]2CCOCC2)C1)C1(c2cncc(Br)c2)CC1 ZINC000282710285 532490079 /nfs/dbraw/zinc/49/00/79/532490079.db2.gz LCIQIPMWBWOOFN-CQSZACIVSA-N 1 0 394.313 2.056 20 0 GEADRO CC[C@H]([NH3+])c1cn(CC(=O)Nc2ccc(I)cc2C)nn1 ZINC000229947005 532490430 /nfs/dbraw/zinc/49/04/30/532490430.db2.gz FYPMCMOUEBSYAM-NSHDSACASA-N 1 0 399.236 2.240 20 0 GEADRO COc1c(Br)cc(C[NH2+]C[C@]2(O)CCOC2)cc1Br ZINC000229641346 532491250 /nfs/dbraw/zinc/49/12/50/532491250.db2.gz VYICBKUABOOJIS-CYBMUJFWSA-N 1 0 395.091 2.461 20 0 GEADRO CCN(C1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1)S(C)(=O)=O ZINC000282731197 532491330 /nfs/dbraw/zinc/49/13/30/532491330.db2.gz DMMBHZGECIEGMJ-UHFFFAOYSA-N 1 0 382.555 2.395 20 0 GEADRO C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Br)c1ncnn1C ZINC000563002626 532492749 /nfs/dbraw/zinc/49/27/49/532492749.db2.gz IKQXUEBZWORLPP-ONGXEEELSA-N 1 0 389.681 2.322 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000469148942 532492870 /nfs/dbraw/zinc/49/28/70/532492870.db2.gz KZZYVIJHGJBYTR-UHFFFAOYSA-N 1 0 384.307 2.257 20 0 GEADRO CC(C)C[C@](C)(C[NH3+])NC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000236680914 532492986 /nfs/dbraw/zinc/49/29/86/532492986.db2.gz CQCCGAYBMPLTJG-OAHLLOKOSA-N 1 0 390.347 2.462 20 0 GEADRO O=C(NC[C@H]1CCCN(C(=O)c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000236665282 532493355 /nfs/dbraw/zinc/49/33/55/532493355.db2.gz DSSRLGMGULRQRC-CJNGLKHVSA-N 1 0 394.313 2.170 20 0 GEADRO Cc1cc2ncn(C[C@@H](O)C[NH2+]CCn3cc(Br)cn3)c2cc1C ZINC000563011490 532493567 /nfs/dbraw/zinc/49/35/67/532493567.db2.gz OQAIFZOXBROXGS-HNNXBMFYSA-N 1 0 392.301 2.263 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000236725728 532493822 /nfs/dbraw/zinc/49/38/22/532493822.db2.gz CUBDNTVMPALBGR-CZUORRHYSA-N 1 0 382.302 2.132 20 0 GEADRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1c1ccc(Br)cc1 ZINC000563024641 532494306 /nfs/dbraw/zinc/49/43/06/532494306.db2.gz FOXBVCWWDNEHNK-ARFHVFGLSA-N 1 0 395.297 2.258 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000282768050 532494966 /nfs/dbraw/zinc/49/49/66/532494966.db2.gz PJHVQYATQQNIEI-LLVKDONJSA-N 1 0 395.301 2.243 20 0 GEADRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000685496316 532495109 /nfs/dbraw/zinc/49/51/09/532495109.db2.gz QUJQSKFTDSTCAD-UHFFFAOYSA-N 1 0 382.448 2.267 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000520567467 532495216 /nfs/dbraw/zinc/49/52/16/532495216.db2.gz IGIVHNXDSKCRDB-MRXNPFEDSA-N 1 0 396.329 2.146 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000520582044 532495671 /nfs/dbraw/zinc/49/56/71/532495671.db2.gz KTMSVFRQVGDHEC-KGLIPLIRSA-N 1 0 389.924 2.477 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000282788790 532495717 /nfs/dbraw/zinc/49/57/17/532495717.db2.gz PWSKNIFIEHRAOS-UHFFFAOYSA-N 1 0 396.329 2.181 20 0 GEADRO COC(=O)Cn1cc(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)nn1 ZINC000296031398 532495744 /nfs/dbraw/zinc/49/57/44/532495744.db2.gz NGZHAIRBBQXFND-CQSZACIVSA-N 1 0 393.285 2.278 20 0 GEADRO Cc1sc2c(cccc2C)c1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000520561019 532495864 /nfs/dbraw/zinc/49/58/64/532495864.db2.gz HCUURSHQMPENMN-CQSZACIVSA-N 1 0 381.567 2.432 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CC[C@@](O)(C(F)F)C1 ZINC000563035707 532496158 /nfs/dbraw/zinc/49/61/58/532496158.db2.gz VRCHQQAMVKFFIJ-KRWDZBQOSA-N 1 0 377.501 2.150 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000519660629 532474429 /nfs/dbraw/zinc/47/44/29/532474429.db2.gz XEKCLUJEBNPNFE-MNOVXSKESA-N 1 0 376.507 2.429 20 0 GEADRO O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC(n2cncn2)CC1 ZINC000195318667 532474570 /nfs/dbraw/zinc/47/45/70/532474570.db2.gz MMLQITASVKCYGQ-OAHLLOKOSA-N 1 0 381.274 2.117 20 0 GEADRO COC[C@@]1(CNC(=O)N(C)Cc2csc(Br)c2)CCC[NH2+]1 ZINC000519690994 532475453 /nfs/dbraw/zinc/47/54/53/532475453.db2.gz RLVDNUUIUGLOTM-AWEZNQCLSA-N 1 0 376.320 2.421 20 0 GEADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195302483 532475623 /nfs/dbraw/zinc/47/56/23/532475623.db2.gz OCMIAWMHFDRTQP-OCAPTIKFSA-N 1 0 383.670 2.082 20 0 GEADRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc[nH]c(=O)c2Br)C[C@@H](C)O1 ZINC000468805943 532475790 /nfs/dbraw/zinc/47/57/90/532475790.db2.gz CTXOAYPIIGAPNH-JHJVBQTASA-N 1 0 398.301 2.264 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC(C)(C)C(F)F)cc1Cl ZINC000684309312 532476052 /nfs/dbraw/zinc/47/60/52/532476052.db2.gz HAUOBKGDYBJDHI-UHFFFAOYSA-N 1 0 377.819 2.379 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CC2(OC)CCOCC2)C1 ZINC000651556255 532476295 /nfs/dbraw/zinc/47/62/95/532476295.db2.gz OJZWAIDVUUVVRI-MRXNPFEDSA-N 1 0 376.563 2.002 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CCC=C(Br)C1 ZINC000282862880 532502210 /nfs/dbraw/zinc/50/22/10/532502210.db2.gz XUTMZBKPNGGSNA-KRWDZBQOSA-N 1 0 394.313 2.447 20 0 GEADRO CCc1nc(CN2CCC(CNC(=O)C[C@H]3CSCC[NH2+]3)CC2)cs1 ZINC000237042946 532502558 /nfs/dbraw/zinc/50/25/58/532502558.db2.gz SDLSPERPRTXLML-HNNXBMFYSA-N 1 0 382.599 2.129 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000237006829 532502966 /nfs/dbraw/zinc/50/29/66/532502966.db2.gz LPSFFZGJDAJTND-UHFFFAOYSA-N 1 0 382.302 2.027 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296118118 532503143 /nfs/dbraw/zinc/50/31/43/532503143.db2.gz HMAYCDXQKWEZNK-ZDUSSCGKSA-N 1 0 381.325 2.260 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652092183 532503169 /nfs/dbraw/zinc/50/31/69/532503169.db2.gz FBPOSNBVQUYHHS-LSDHHAIUSA-N 1 0 397.313 2.278 20 0 GEADRO C[NH2+]CC1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000237062792 532503499 /nfs/dbraw/zinc/50/34/99/532503499.db2.gz SNSVIYZVUOXWHU-MRXNPFEDSA-N 1 0 381.929 2.313 20 0 GEADRO C[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000237065387 532503695 /nfs/dbraw/zinc/50/36/95/532503695.db2.gz QBOIRSHCOAUTFE-CQSZACIVSA-N 1 0 394.313 2.260 20 0 GEADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000237050468 532503703 /nfs/dbraw/zinc/50/37/03/532503703.db2.gz QHEOXHOCJWTJFU-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000237064874 532503968 /nfs/dbraw/zinc/50/39/68/532503968.db2.gz QNRPIPHKCPIMLI-UHFFFAOYSA-N 1 0 392.301 2.215 20 0 GEADRO C[NH+](C)C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000652117566 532504299 /nfs/dbraw/zinc/50/42/99/532504299.db2.gz JPIUCXCHBIWRDN-AWEZNQCLSA-N 1 0 384.885 2.412 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1Cl ZINC000237097202 532504289 /nfs/dbraw/zinc/50/42/89/532504289.db2.gz SSGQXTNUSGSJRA-HNNXBMFYSA-N 1 0 387.933 2.228 20 0 GEADRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000237084563 532504344 /nfs/dbraw/zinc/50/43/44/532504344.db2.gz VGYQOICJRSCTOA-JTQLQIEISA-N 1 0 376.309 2.485 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)s1)c1ccccc1 ZINC000521079825 532504451 /nfs/dbraw/zinc/50/44/51/532504451.db2.gz VJTZBHSGWJOYMI-CQSZACIVSA-N 1 0 381.523 2.208 20 0 GEADRO C[NH2+]CC1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000237058817 532504569 /nfs/dbraw/zinc/50/45/69/532504569.db2.gz FQNLDXCOTSZWSH-AWEZNQCLSA-N 1 0 394.313 2.260 20 0 GEADRO COc1ccc(Cl)cc1CN1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237089356 532504587 /nfs/dbraw/zinc/50/45/87/532504587.db2.gz MLQJHVDOCOMRHI-MRXNPFEDSA-N 1 0 383.945 2.088 20 0 GEADRO CN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC[NH2+]CC1 ZINC000237090541 532504734 /nfs/dbraw/zinc/50/47/34/532504734.db2.gz UFOQSYWAKOGHJS-LBPRGKRZSA-N 1 0 380.286 2.012 20 0 GEADRO [NH3+]CC1(CCNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000652183675 532504942 /nfs/dbraw/zinc/50/49/42/532504942.db2.gz IWAZGCNLPBZTQO-AWEZNQCLSA-N 1 0 381.318 2.456 20 0 GEADRO CCO[C@@H]1CN(C(=O)N[C@@H](C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000652168000 532505200 /nfs/dbraw/zinc/50/52/00/532505200.db2.gz LJDAVCPOMNQGQU-JGGQBBKZSA-N 1 0 384.318 2.385 20 0 GEADRO [NH3+]CCn1cc(C(=O)NC2(c3ccc(Br)cc3)CCCC2)nn1 ZINC000563451923 532505352 /nfs/dbraw/zinc/50/53/52/532505352.db2.gz RRHUVCMWYXHKHT-UHFFFAOYSA-N 1 0 378.274 2.199 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000652186620 532505505 /nfs/dbraw/zinc/50/55/05/532505505.db2.gz PZZIDKGPJCEFPA-GFCCVEGCSA-N 1 0 385.306 2.315 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2CCCN2C)cc(I)c1OC ZINC000237278065 532505497 /nfs/dbraw/zinc/50/54/97/532505497.db2.gz LMFOROLZFQPTSB-GFCCVEGCSA-N 1 0 390.265 2.492 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cnc1Br ZINC000296204563 532505512 /nfs/dbraw/zinc/50/55/12/532505512.db2.gz LYTWMLBCURIOLN-LLVKDONJSA-N 1 0 395.301 2.034 20 0 GEADRO C[C@H](NC(=O)NCc1ccc(C[NH3+])cc1F)c1ncc(Br)cn1 ZINC000652195457 532505731 /nfs/dbraw/zinc/50/57/31/532505731.db2.gz UXODJWSZTCXMMX-VIFPVBQESA-N 1 0 382.237 2.397 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CC1CC[NH2+]CC1 ZINC000237234571 532505741 /nfs/dbraw/zinc/50/57/41/532505741.db2.gz SMGOHZQGNMMDCO-UHFFFAOYSA-N 1 0 380.388 2.317 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000652227280 532506664 /nfs/dbraw/zinc/50/66/64/532506664.db2.gz CKSDZJHVRYNTRF-IFXJQAMLSA-N 1 0 391.309 2.465 20 0 GEADRO [NH3+]CC1(CCNC(=O)N(CCO)Cc2cc(Br)ccc2F)CC1 ZINC000652242358 532506833 /nfs/dbraw/zinc/50/68/33/532506833.db2.gz GWYJRNVANGBDLS-UHFFFAOYSA-N 1 0 388.281 2.221 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237292617 532507175 /nfs/dbraw/zinc/50/71/75/532507175.db2.gz JASMPSGHNZDJAV-XJKSGUPXSA-N 1 0 383.945 2.307 20 0 GEADRO C[C@@H](CN(C)C(=O)NC[C@@H]1C[NH2+]CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000563610005 532507290 /nfs/dbraw/zinc/50/72/90/532507290.db2.gz VRRYYEIWFVHMSS-AAEUAGOBSA-N 1 0 376.284 2.391 20 0 GEADRO C[NH2+]CC1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000237333503 532507852 /nfs/dbraw/zinc/50/78/52/532507852.db2.gz OGRQXYBTYYBOEC-SNVBAGLBSA-N 1 0 388.331 2.087 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000652374826 532508164 /nfs/dbraw/zinc/50/81/64/532508164.db2.gz CFNMCCPHJALRME-GDZNZVCISA-N 1 0 388.917 2.256 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374529262 532508519 /nfs/dbraw/zinc/50/85/19/532508519.db2.gz GISCYGICPMNHMQ-LLVKDONJSA-N 1 0 398.330 2.467 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3ccc4ncsc4c3)C2)C1 ZINC000652373869 532508623 /nfs/dbraw/zinc/50/86/23/532508623.db2.gz CMODYDYTPGTYPF-WOSRLPQWSA-N 1 0 381.523 2.203 20 0 GEADRO O=C(C[C@H]1COCC[NH2+]1)NCCOc1ccc2cc(Br)ccc2c1 ZINC000563804027 532509355 /nfs/dbraw/zinc/50/93/55/532509355.db2.gz ZBYDZMXGCSZSFV-INIZCTEOSA-N 1 0 393.281 2.476 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000652384435 532509414 /nfs/dbraw/zinc/50/94/14/532509414.db2.gz ZXTKCDUFLRZRKE-WQVCFCJDSA-N 1 0 381.523 2.346 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(F)c(F)cc2I)[C@@H](C)C[NH2+]1 ZINC000237639409 532509506 /nfs/dbraw/zinc/50/95/06/532509506.db2.gz MZYFWJIXPOSMDA-YUMQZZPRSA-N 1 0 380.176 2.392 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@H]1CCOc2ccc(Br)cc21 ZINC000652380545 532509542 /nfs/dbraw/zinc/50/95/42/532509542.db2.gz ZIWJIBJXHBANJB-CABCVRRESA-N 1 0 397.313 2.278 20 0 GEADRO C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H]1C[NH3+] ZINC000237687933 532509671 /nfs/dbraw/zinc/50/96/71/532509671.db2.gz RZZNIGYMIRUUNB-SWLSCSKDSA-N 1 0 382.302 2.155 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000652382954 532510071 /nfs/dbraw/zinc/51/00/71/532510071.db2.gz KRZFIUWMDJJLPZ-UHFFFAOYSA-N 1 0 395.294 2.346 20 0 GEADRO NC(=O)c1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000237734807 532510890 /nfs/dbraw/zinc/51/08/90/532510890.db2.gz VJNXFXLRZUQEAA-UHFFFAOYSA-N 1 0 376.254 2.068 20 0 GEADRO C[C@@H]1[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CCC[N@@H+]1C ZINC000469763627 532511101 /nfs/dbraw/zinc/51/11/01/532511101.db2.gz KOTZXRQSIZGCLM-LERXQTSPSA-N 1 0 380.286 2.474 20 0 GEADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1cc(Br)cc2c1OCC2 ZINC000652385242 532511261 /nfs/dbraw/zinc/51/12/61/532511261.db2.gz RIJMSACRHNRKEA-UHFFFAOYSA-N 1 0 389.315 2.052 20 0 GEADRO CC[N@H+](CCOc1ccc(Br)cc1)CCC(=O)N1CCN(C)CC1 ZINC000521275694 532511743 /nfs/dbraw/zinc/51/17/43/532511743.db2.gz KWAKSLRLTKHSDM-UHFFFAOYSA-N 1 0 398.345 2.314 20 0 GEADRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000469771410 532511759 /nfs/dbraw/zinc/51/17/59/532511759.db2.gz AJTUIVOGYKSBRV-SECBINFHSA-N 1 0 376.347 2.199 20 0 GEADRO O=C(NCCc1cc(Br)ccc1F)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237722060 532511878 /nfs/dbraw/zinc/51/18/78/532511878.db2.gz ZTHRZQQSGJNXSC-UHFFFAOYSA-N 1 0 396.264 2.077 20 0 GEADRO C[C@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[NH2+]1 ZINC000237732673 532511971 /nfs/dbraw/zinc/51/19/71/532511971.db2.gz GBOJDVJODPIKCD-VIFPVBQESA-N 1 0 385.287 2.314 20 0 GEADRO COC(=O)C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(SC)cc1 ZINC000594523823 532512388 /nfs/dbraw/zinc/51/23/88/532512388.db2.gz DVKTVINPMVNJDH-VXGBXAGGSA-N 1 0 379.404 2.202 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c1F ZINC000594531479 532513464 /nfs/dbraw/zinc/51/34/64/532513464.db2.gz BIQPXFRHBARWFD-LLVKDONJSA-N 1 0 378.853 2.158 20 0 GEADRO CCn1ccnc1CNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000296330954 532514315 /nfs/dbraw/zinc/51/43/15/532514315.db2.gz LPXMRADBXDRNKQ-UHFFFAOYSA-N 1 0 395.257 2.436 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000238028450 532514912 /nfs/dbraw/zinc/51/49/12/532514912.db2.gz JOAMBTNJIXROHS-MRXNPFEDSA-N 1 0 394.313 2.251 20 0 GEADRO CN1CCN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000521583230 532515400 /nfs/dbraw/zinc/51/54/00/532515400.db2.gz OTJXLJQWAHDTQA-NSHDSACASA-N 1 0 380.798 2.388 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237996801 532515405 /nfs/dbraw/zinc/51/54/05/532515405.db2.gz HVEIKQWBSAUPDQ-PBWFPOADSA-N 1 0 377.901 2.286 20 0 GEADRO Nc1ccc(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)cn1 ZINC000238006756 532515559 /nfs/dbraw/zinc/51/55/59/532515559.db2.gz HLFWKKTVPMDQNJ-LLVKDONJSA-N 1 0 375.226 2.418 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)CCCN2CCOCC2)c1 ZINC000296364599 532516101 /nfs/dbraw/zinc/51/61/01/532516101.db2.gz SGYRNEKJMUNKAJ-KRWDZBQOSA-N 1 0 387.318 2.145 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000564078125 532516242 /nfs/dbraw/zinc/51/62/42/532516242.db2.gz YBJAMSUYQSOBHC-NSHDSACASA-N 1 0 397.324 2.391 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)c1 ZINC000283065718 532516757 /nfs/dbraw/zinc/51/67/57/532516757.db2.gz UMNCSWHYHXISSG-UHFFFAOYSA-N 1 0 387.914 2.041 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCCC1(C[NH3+])CC1)c1cccc(Br)c1 ZINC000652684544 532516849 /nfs/dbraw/zinc/51/68/49/532516849.db2.gz QUWYDAAKWSVKRD-UHFFFAOYSA-N 1 0 396.329 2.088 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000238049808 532516931 /nfs/dbraw/zinc/51/69/31/532516931.db2.gz WDJXLDOECWDCJA-CQSZACIVSA-N 1 0 385.917 2.078 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000296371163 532517509 /nfs/dbraw/zinc/51/75/09/532517509.db2.gz JYGCKERKBQGRRE-HNNXBMFYSA-N 1 0 384.293 2.376 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Br)cnn1C ZINC000296379845 532517567 /nfs/dbraw/zinc/51/75/67/532517567.db2.gz UACUOWHVJMJHSO-SWLSCSKDSA-N 1 0 377.286 2.433 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652643290 532518014 /nfs/dbraw/zinc/51/80/14/532518014.db2.gz DFXGANRAJMSJRC-UHFFFAOYSA-N 1 0 398.301 2.211 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000521859940 532518537 /nfs/dbraw/zinc/51/85/37/532518537.db2.gz BSOPLOZYXUPBSK-BBRMVZONSA-N 1 0 381.929 2.154 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000563128719 532497493 /nfs/dbraw/zinc/49/74/93/532497493.db2.gz JFNPIUSJJLGPJV-ZDUSSCGKSA-N 1 0 386.901 2.137 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000563129336 532497530 /nfs/dbraw/zinc/49/75/30/532497530.db2.gz PFCSOGLQMYQHSH-HNNXBMFYSA-N 1 0 378.416 2.478 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000236854855 532497901 /nfs/dbraw/zinc/49/79/01/532497901.db2.gz IVBRPJWQNFQJSO-QWHCGFSZSA-N 1 0 382.302 2.436 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000236843955 532498130 /nfs/dbraw/zinc/49/81/30/532498130.db2.gz IVBRPJWQNFQJSO-STQMWFEESA-N 1 0 382.302 2.436 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000563129590 532498067 /nfs/dbraw/zinc/49/80/67/532498067.db2.gz DCBULRQNUPLHCS-WDEREUQCSA-N 1 0 377.304 2.254 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000236819393 532498768 /nfs/dbraw/zinc/49/87/68/532498768.db2.gz FPROBYZEPOCZNO-UHFFFAOYSA-N 1 0 378.336 2.311 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000282821779 532499254 /nfs/dbraw/zinc/49/92/54/532499254.db2.gz RUYVSLITBIZAEY-UHFFFAOYSA-N 1 0 394.317 2.035 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000469279678 532499799 /nfs/dbraw/zinc/49/97/99/532499799.db2.gz RZKXCEQABIXWPY-SECBINFHSA-N 1 0 378.317 2.289 20 0 GEADRO CCCc1cc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)sc1C ZINC000236907072 532500356 /nfs/dbraw/zinc/50/03/56/532500356.db2.gz AXXFEUXYCPCLGW-UHFFFAOYSA-N 1 0 381.523 2.498 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236910349 532501002 /nfs/dbraw/zinc/50/10/02/532501002.db2.gz IJZYKFLUGAVFKO-QWHCGFSZSA-N 1 0 382.302 2.436 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000236919725 532501129 /nfs/dbraw/zinc/50/11/29/532501129.db2.gz PBCZIMUNURHDHB-LSDHHAIUSA-N 1 0 387.571 2.091 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000629740604 532501292 /nfs/dbraw/zinc/50/12/92/532501292.db2.gz HLRXFLDINQPMJY-UHFFFAOYSA-N 1 0 384.293 2.110 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2=O)ccc1Br ZINC000563391404 532501734 /nfs/dbraw/zinc/50/17/34/532501734.db2.gz QVJNQXBKVJTZFA-BLLLJJGKSA-N 1 0 394.313 2.321 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374426530 532502214 /nfs/dbraw/zinc/50/22/14/532502214.db2.gz DWWAEYXUTINEJT-ZDUSSCGKSA-N 1 0 377.539 2.286 20 0 GEADRO Cc1cc(S(=O)(=O)NCCNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c(C)s1 ZINC000246256973 532535317 /nfs/dbraw/zinc/53/53/17/532535317.db2.gz WLUBEAYXELNNEF-BZPMIXESSA-N 1 0 387.571 2.021 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000283374200 532536052 /nfs/dbraw/zinc/53/60/52/532536052.db2.gz ZHOOWZHCKLDSQX-CYBMUJFWSA-N 1 0 399.207 2.390 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)NCCOc1cccc(Br)c1 ZINC000296706979 532536405 /nfs/dbraw/zinc/53/64/05/532536405.db2.gz AMGYQZNRLRPCJO-UHFFFAOYSA-N 1 0 396.289 2.408 20 0 GEADRO O=C(Nc1nnc2ccc(Br)cn21)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000296721585 532536526 /nfs/dbraw/zinc/53/65/26/532536526.db2.gz FJCYFQSYOOFHAA-NEPJUHHUSA-N 1 0 379.262 2.240 20 0 GEADRO COCCN(C)C[C@@H](O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000653594973 532536593 /nfs/dbraw/zinc/53/65/93/532536593.db2.gz ONGFBARBJYZCQH-MRXNPFEDSA-N 1 0 390.355 2.445 20 0 GEADRO Cn1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc(Br)c1=O ZINC000296715614 532536757 /nfs/dbraw/zinc/53/67/57/532536757.db2.gz WAHWMQHZSXPMJV-UHFFFAOYSA-N 1 0 383.290 2.286 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000653617147 532537035 /nfs/dbraw/zinc/53/70/35/532537035.db2.gz YMERECFQOXDXRK-BXUZGUMPSA-N 1 0 383.290 2.462 20 0 GEADRO COc1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1Br ZINC000564918131 532537102 /nfs/dbraw/zinc/53/71/02/532537102.db2.gz LPDYDHVSBKDYQB-NSHDSACASA-N 1 0 380.246 2.054 20 0 GEADRO COC(=O)c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000375141067 532537204 /nfs/dbraw/zinc/53/72/04/532537204.db2.gz GJUMOTVFLQQXLZ-LBPRGKRZSA-N 1 0 386.901 2.422 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CN(C)Cc1cc(Br)ccc1Cl ZINC000653641988 532538275 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CC1(C)CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000262078704 532583767 /nfs/dbraw/zinc/58/37/67/532583767.db2.gz SYMPQDJZICPYRM-WFASDCNBSA-N 1 0 394.313 2.388 20 0 GEADRO CN1CC[C@@H](NS(=O)(=O)CCOC(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000632161305 532583782 /nfs/dbraw/zinc/58/37/82/532583782.db2.gz WCVLYKRKBXUUPN-CVEARBPZSA-N 1 0 376.469 2.445 20 0 GEADRO C[C@@H]1CCc2c(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)csc2C1 ZINC000262075570 532584114 /nfs/dbraw/zinc/58/41/14/532584114.db2.gz SUAVUKFTEVNNAN-IAQYHMDHSA-N 1 0 375.460 2.439 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262086688 532584357 /nfs/dbraw/zinc/58/43/57/532584357.db2.gz UEGKSCUDLBYGLV-WOPDTQHZSA-N 1 0 375.357 2.307 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000262067164 532584727 /nfs/dbraw/zinc/58/47/27/532584727.db2.gz OROOEQXOOCNODV-NXEZZACHSA-N 1 0 380.388 2.040 20 0 GEADRO C[NH2+]Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000565946026 532585512 /nfs/dbraw/zinc/58/55/12/532585512.db2.gz SINGKADXDWMDTA-UHFFFAOYSA-N 1 0 387.914 2.380 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262146151 532586020 /nfs/dbraw/zinc/58/60/20/532586020.db2.gz FMCLEIDSNFYPRM-LLVKDONJSA-N 1 0 397.850 2.027 20 0 GEADRO Cc1c(I)cccc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000473278351 532586596 /nfs/dbraw/zinc/58/65/96/532586596.db2.gz XUOLVBDSVYIXKH-OAHLLOKOSA-N 1 0 390.265 2.032 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)NC[C@](C)(O)CC[NH+](C)C)c(Br)c1 ZINC000473271245 532586898 /nfs/dbraw/zinc/58/68/98/532586898.db2.gz IWASAGAPWQVCPH-SUMWQHHRSA-N 1 0 387.318 2.344 20 0 GEADRO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000565997512 532586952 /nfs/dbraw/zinc/58/69/52/532586952.db2.gz SDJXPBRAHBLENF-WFASDCNBSA-N 1 0 381.270 2.331 20 0 GEADRO CO[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1Br ZINC000655419341 532588905 /nfs/dbraw/zinc/58/89/05/532588905.db2.gz TWIWGWYWSNXFMX-INIZCTEOSA-N 1 0 385.302 2.493 20 0 GEADRO C[C@H](NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1c(Cl)ccc(F)c1Cl ZINC000262217147 532589243 /nfs/dbraw/zinc/58/92/43/532589243.db2.gz OTUADPSJYFJSHN-VIFPVBQESA-N 1 0 397.299 2.477 20 0 GEADRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000297447419 532589489 /nfs/dbraw/zinc/58/94/89/532589489.db2.gz WSHBLKVVMIHTHK-MNOVXSKESA-N 1 0 379.320 2.156 20 0 GEADRO CN(C)c1cccnc1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000566064162 532591385 /nfs/dbraw/zinc/59/13/85/532591385.db2.gz CIBVQALHGUZYJV-AWEZNQCLSA-N 1 0 380.286 2.440 20 0 GEADRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000655482174 532591630 /nfs/dbraw/zinc/59/16/30/532591630.db2.gz FASMNXMWIVICDS-MJGOQNOKSA-N 1 0 392.341 2.483 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1cccc(Br)c1F ZINC000566068615 532592173 /nfs/dbraw/zinc/59/21/73/532592173.db2.gz ROROTFLNFKABNL-HZNSRWLBSA-N 1 0 377.279 2.382 20 0 GEADRO Clc1ccc(OCCN2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000262411480 532592962 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Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)s1 ZINC000566116502 532594925 /nfs/dbraw/zinc/59/49/25/532594925.db2.gz VZGJIFUPMLJRHK-OAHLLOKOSA-N 1 0 388.942 2.181 20 0 GEADRO CO[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1Br ZINC000654857394 532571744 /nfs/dbraw/zinc/57/17/44/532571744.db2.gz QDZLWXINDAFCJH-QGZVFWFLSA-N 1 0 398.345 2.279 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)cnc2c1Cl ZINC000565592605 532571952 /nfs/dbraw/zinc/57/19/52/532571952.db2.gz HLJCBXVXLHJTSZ-ZDUSSCGKSA-N 1 0 385.921 2.090 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631993190 532572044 /nfs/dbraw/zinc/57/20/44/532572044.db2.gz LYLBKJFSAMDXNA-MFKMUULPSA-N 1 0 377.279 2.351 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000284011105 532572278 /nfs/dbraw/zinc/57/22/78/532572278.db2.gz LEFIAOBJONXIAU-UHFFFAOYSA-N 1 0 396.329 2.051 20 0 GEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncsc1Br ZINC000654847884 532572300 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Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654890111 532574108 /nfs/dbraw/zinc/57/41/08/532574108.db2.gz JEZXUISERSHHIL-PHIMTYICSA-N 1 0 386.265 2.292 20 0 GEADRO C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 ZINC000297225953 532574522 /nfs/dbraw/zinc/57/45/22/532574522.db2.gz OJECHLSGLRUPCJ-HNNXBMFYSA-N 1 0 379.507 2.259 20 0 GEADRO Cc1csc([C@H](NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)C(F)(F)F)n1 ZINC000297228731 532575049 /nfs/dbraw/zinc/57/50/49/532575049.db2.gz WJLQIIRNNVWZMG-UTUOFQBUSA-N 1 0 380.436 2.151 20 0 GEADRO O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cc2s1 ZINC000632036260 532575681 /nfs/dbraw/zinc/57/56/81/532575681.db2.gz PEIDBXAPAJKUOW-CYBMUJFWSA-N 1 0 381.523 2.498 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000654949570 532576095 /nfs/dbraw/zinc/57/60/95/532576095.db2.gz WWHUDSNRQDTIIH-KBPBESRZSA-N 1 0 395.301 2.224 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc(C[C@H](NC(C)=O)c2ccc(Br)cc2)n1 ZINC000261679716 532576242 /nfs/dbraw/zinc/57/62/42/532576242.db2.gz GUBFOFXAWPRUTQ-HZMBPMFUSA-N 1 0 381.274 2.402 20 0 GEADRO CN(CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)CC(F)(F)F ZINC000261661537 532576413 /nfs/dbraw/zinc/57/64/13/532576413.db2.gz FFIMHTAGPCRPNS-CYBMUJFWSA-N 1 0 382.224 2.233 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000565765466 532576410 /nfs/dbraw/zinc/57/64/10/532576410.db2.gz PFLOHNPSUOYCFZ-GFCCVEGCSA-N 1 0 381.889 2.986 20 0 GEADRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCN(c2ccc(Br)cn2)CC1 ZINC000261648651 532576427 /nfs/dbraw/zinc/57/64/27/532576427.db2.gz JJJAMERSNSBTPU-UHFFFAOYSA-N 1 0 387.281 2.410 20 0 GEADRO O=C(NCc1ccsc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000284125966 532576685 /nfs/dbraw/zinc/57/66/85/532576685.db2.gz VOSLEAULHZDZDS-UHFFFAOYSA-N 1 0 377.535 2.454 20 0 GEADRO COc1cccc([C@@H](O)CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261739126 532577752 /nfs/dbraw/zinc/57/77/52/532577752.db2.gz LQKLEKPMTOCXAA-FUHWJXTLSA-N 1 0 393.281 2.481 20 0 GEADRO Cn1cnnc1C1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261740510 532577764 /nfs/dbraw/zinc/57/77/64/532577764.db2.gz IKKFHEXUVDOISZ-QGZVFWFLSA-N 1 0 392.301 2.158 20 0 GEADRO C[C@]1(Br)C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000528708424 532577985 /nfs/dbraw/zinc/57/79/85/532577985.db2.gz ZDZWKRBRCQPPMF-WMZOPIPTSA-N 1 0 381.314 2.433 20 0 GEADRO O=C(Nc1cccc(I)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000595931827 532578199 /nfs/dbraw/zinc/57/81/99/532578199.db2.gz ZAYLUXZUDLOQLN-UHFFFAOYSA-N 1 0 397.220 2.060 20 0 GEADRO Cc1sc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1CS(C)(=O)=O ZINC000261753054 532578664 /nfs/dbraw/zinc/57/86/64/532578664.db2.gz PMNNRTANWOCZHZ-UHFFFAOYSA-N 1 0 380.535 2.245 20 0 GEADRO C[C@]1(CO)CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C[C@@]1(C)CO ZINC000528754290 532579303 /nfs/dbraw/zinc/57/93/03/532579303.db2.gz IXLFFLFMXYVTPG-CALCHBBNSA-N 1 0 385.295 2.387 20 0 GEADRO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261941631 532579536 /nfs/dbraw/zinc/57/95/36/532579536.db2.gz JKBKLYWOLIGANC-SMDDNHRTSA-N 1 0 379.810 2.060 20 0 GEADRO COCC[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000284165459 532579566 /nfs/dbraw/zinc/57/95/66/532579566.db2.gz WRJNBFHUVIEMIA-OAHLLOKOSA-N 1 0 386.279 2.258 20 0 GEADRO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000261959528 532579542 /nfs/dbraw/zinc/57/95/42/532579542.db2.gz XLBLLQFYYUAFCH-IMJJTQAJSA-N 1 0 393.329 2.413 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000565832227 532579633 /nfs/dbraw/zinc/57/96/33/532579633.db2.gz QRVCOSPXPVMDJX-CYBMUJFWSA-N 1 0 382.302 2.306 20 0 GEADRO OC1(C[NH+]2CCOCC2)CCN(c2ncc(Cl)cc2Br)CC1 ZINC000375729110 532579616 /nfs/dbraw/zinc/57/96/16/532579616.db2.gz FGILIFGRYZZXRH-UHFFFAOYSA-N 1 0 390.709 2.161 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261952945 532579648 /nfs/dbraw/zinc/57/96/48/532579648.db2.gz OEGRPRCXSVTKMY-CYBMUJFWSA-N 1 0 392.352 2.299 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(SC)cc1OC ZINC000472634945 532579769 /nfs/dbraw/zinc/57/97/69/532579769.db2.gz YQBYZAWAQVUEBB-KBPBESRZSA-N 1 0 388.555 2.376 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000565833565 532579803 /nfs/dbraw/zinc/57/98/03/532579803.db2.gz JRQLKLSORQALDW-WDEREUQCSA-N 1 0 377.304 2.254 20 0 GEADRO CCOc1cc(C[NH2+]CC2(CS(C)(=O)=O)CC2)cc(Br)c1O ZINC000297300034 532579906 /nfs/dbraw/zinc/57/99/06/532579906.db2.gz AZFNFHWTBCUKPO-UHFFFAOYSA-N 1 0 392.315 2.468 20 0 GEADRO COc1cc(CN2C[C@H](C)[NH2+]C[C@@H]2C)cc(I)c1OC ZINC000261950961 532580292 /nfs/dbraw/zinc/58/02/92/532580292.db2.gz FZVWWAJSIOLEEK-QWRGUYRKSA-N 1 0 390.265 2.491 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632129730 532580487 /nfs/dbraw/zinc/58/04/87/532580487.db2.gz NCFLJJZERBWBAG-UPJWGTAASA-N 1 0 389.905 2.078 20 0 GEADRO O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000261993718 532580816 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Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c1F ZINC000434587179 532596133 /nfs/dbraw/zinc/59/61/33/532596133.db2.gz QPURUTWHCWVJHI-CYBMUJFWSA-N 1 0 386.265 2.292 20 0 GEADRO CCC[C@](C)([NH3+])C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000262693065 532597728 /nfs/dbraw/zinc/59/77/28/532597728.db2.gz BIJYEDHKTQTRTH-KRWDZBQOSA-N 1 0 387.571 2.099 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(I)c(F)cc1F)C2 ZINC000597571945 532621426 /nfs/dbraw/zinc/62/14/26/532621426.db2.gz LRBIJRBELXEYOP-UHFFFAOYSA-N 1 0 392.187 2.347 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000566171932 532597873 /nfs/dbraw/zinc/59/78/73/532597873.db2.gz GXKGETBUZJMJAF-NSHDSACASA-N 1 0 384.458 2.189 20 0 GEADRO CCOCC[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000434632927 532598232 /nfs/dbraw/zinc/59/82/32/532598232.db2.gz CBWROSLKNXLHGG-OAHLLOKOSA-N 1 0 389.309 2.493 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N1CC=C(c2cccc(Br)c2)CC1 ZINC000529373719 532598546 /nfs/dbraw/zinc/59/85/46/532598546.db2.gz CLRNHIUODZJTGB-INIZCTEOSA-N 1 0 380.286 2.236 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000529375951 532598839 /nfs/dbraw/zinc/59/88/39/532598839.db2.gz JBKNVEMWJCOWEJ-INIZCTEOSA-N 1 0 397.317 2.023 20 0 GEADRO CC(C)(C[NH3+])NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000262759668 532599065 /nfs/dbraw/zinc/59/90/65/532599065.db2.gz RECIWTAEUPMULW-UHFFFAOYSA-N 1 0 375.210 2.484 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ncsc1Br ZINC000632298110 532599768 /nfs/dbraw/zinc/59/97/68/532599768.db2.gz BJLWVQDBXRIVRE-SNVBAGLBSA-N 1 0 382.349 2.152 20 0 GEADRO O=C(c1cc(O)cc(Br)c1)N1CCC[C@@H](C[N@H+]2CC[C@@H](O)C2)C1 ZINC000529397749 532600185 /nfs/dbraw/zinc/60/01/85/532600185.db2.gz GXAFBFFZJNVUGY-SWLSCSKDSA-N 1 0 383.286 2.074 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000297634465 532600534 /nfs/dbraw/zinc/60/05/34/532600534.db2.gz YOWONRKSYSSAGY-HNNXBMFYSA-N 1 0 387.933 2.239 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000529384612 532600577 /nfs/dbraw/zinc/60/05/77/532600577.db2.gz ZWDYPFWNZLFZCH-ZDUSSCGKSA-N 1 0 386.265 2.251 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)C[C@@H]12 ZINC000262788672 532600598 /nfs/dbraw/zinc/60/05/98/532600598.db2.gz REWYKAGXLUDREE-FXPVBKGRSA-N 1 0 379.707 2.460 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000262775152 532600660 /nfs/dbraw/zinc/60/06/60/532600660.db2.gz XDLKDDDGZFTZFZ-MWLCHTKSSA-N 1 0 377.869 2.185 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000262785186 532600823 /nfs/dbraw/zinc/60/08/23/532600823.db2.gz QFYZFAHKKXSEJD-IPYPFGDCSA-N 1 0 388.917 2.032 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000376200699 532600851 /nfs/dbraw/zinc/60/08/51/532600851.db2.gz UTRJWZGZINSLMJ-GXTWGEPZSA-N 1 0 392.301 2.002 20 0 GEADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)C1CC1 ZINC000262792670 532601245 /nfs/dbraw/zinc/60/12/45/532601245.db2.gz SBLKSGUZOWHMMK-HUUCEWRRSA-N 1 0 388.917 2.304 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Br)cn1 ZINC000284556300 532601285 /nfs/dbraw/zinc/60/12/85/532601285.db2.gz VIRNTIFUFHNUFB-GFCCVEGCSA-N 1 0 397.317 2.012 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c(Br)c1 ZINC000262791552 532601334 /nfs/dbraw/zinc/60/13/34/532601334.db2.gz RVNOMKRZHMOGRB-MFKMUULPSA-N 1 0 377.304 2.254 20 0 GEADRO O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)Nc1cccc(Br)c1 ZINC000566245652 532601650 /nfs/dbraw/zinc/60/16/50/532601650.db2.gz ONFAXTHDAPYWAC-XHSDSOJGSA-N 1 0 382.302 2.134 20 0 GEADRO CN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1(C[NH3+])CCC1 ZINC000566251853 532601989 /nfs/dbraw/zinc/60/19/89/532601989.db2.gz XTJVLCHYLXQVTJ-GFCCVEGCSA-N 1 0 380.286 2.142 20 0 GEADRO Cn1ccnc1[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655914306 532602344 /nfs/dbraw/zinc/60/23/44/532602344.db2.gz XMWKKZFVLXJVAI-NWDGAFQWSA-N 1 0 375.782 2.352 20 0 GEADRO C[C@]([NH3+])(C(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccc(Br)cc1 ZINC000566250171 532602304 /nfs/dbraw/zinc/60/23/04/532602304.db2.gz NRDHDLDYPFGQPP-SOLBZPMBSA-N 1 0 375.266 2.398 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000262832590 532603423 /nfs/dbraw/zinc/60/34/23/532603423.db2.gz QNGFBDIMYCPKBF-AAEUAGOBSA-N 1 0 399.563 2.016 20 0 GEADRO COC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCO1 ZINC000434790093 532603579 /nfs/dbraw/zinc/60/35/79/532603579.db2.gz QIIYLDFWKBQCIS-BPUTZDHNSA-N 1 0 392.265 2.112 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)Cc1ncsc1Br ZINC000632348608 532603708 /nfs/dbraw/zinc/60/37/08/532603708.db2.gz LZVBQNDSSFUTCU-SNVBAGLBSA-N 1 0 384.365 2.445 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000262831736 532603809 /nfs/dbraw/zinc/60/38/09/532603809.db2.gz VCGZEBQHQSNCRM-GFCCVEGCSA-N 1 0 395.575 2.342 20 0 GEADRO COc1cc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc(OC)c1Br ZINC000655919820 532603993 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GEADRO C[N@H+]1CC=C(CNC(=O)NCCc2ccc(I)cc2)CC1 ZINC000596899643 532607516 /nfs/dbraw/zinc/60/75/16/532607516.db2.gz PBNUTTSPILRPBP-UHFFFAOYSA-N 1 0 399.276 2.395 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)NCCc1ccc(I)cc1 ZINC000596899741 532607824 /nfs/dbraw/zinc/60/78/24/532607824.db2.gz SGGWTTGIJNIJCR-UHFFFAOYSA-N 1 0 389.281 2.427 20 0 GEADRO C[NH+](C)CC1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000632382384 532608189 /nfs/dbraw/zinc/60/81/89/532608189.db2.gz OVYHFQDSJXAWPF-UHFFFAOYSA-N 1 0 385.686 2.424 20 0 GEADRO COc1cc(I)ccc1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000596924183 532608511 /nfs/dbraw/zinc/60/85/11/532608511.db2.gz MTOHDBLCIRRIGS-UHFFFAOYSA-N 1 0 389.237 2.325 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC[NH2+]1 ZINC000262969280 532609301 /nfs/dbraw/zinc/60/93/01/532609301.db2.gz XKHVTRKABZZZLT-RYUDHWBXSA-N 1 0 399.563 2.158 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000474168382 532609258 /nfs/dbraw/zinc/60/92/58/532609258.db2.gz JUKYDNGBXJAMGN-WFASDCNBSA-N 1 0 381.523 2.125 20 0 GEADRO C[C@H]1CN(C(=O)c2scnc2C(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000566446111 532609322 /nfs/dbraw/zinc/60/93/22/532609322.db2.gz FNGMDCKDKIPKFL-RYUDHWBXSA-N 1 0 376.448 2.260 20 0 GEADRO O[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)COCC1CC1 ZINC000474619581 532621967 /nfs/dbraw/zinc/62/19/67/532621967.db2.gz RCCPLHFMNWKQRF-JTQLQIEISA-N 1 0 397.203 2.447 20 0 GEADRO Cc1nc(S(=O)(=O)NCCc2ccc(OCC[NH+](C)C)cc2)sc1C ZINC000435224749 532611118 /nfs/dbraw/zinc/61/11/18/532611118.db2.gz GCZJDQZXYVTJNH-UHFFFAOYSA-N 1 0 383.539 2.221 20 0 GEADRO O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435245719 532612102 /nfs/dbraw/zinc/61/21/02/532612102.db2.gz CZUQGYZDFZEPRR-BLLLJJGKSA-N 1 0 392.297 2.155 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000656298871 532612581 /nfs/dbraw/zinc/61/25/81/532612581.db2.gz SWHPIAPXSTYIEU-HUUCEWRRSA-N 1 0 394.313 2.117 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCCn3cc(Br)cn3)C2)C1 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C[C@@H]([NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl)C1CCS(=O)(=O)CC1 ZINC000474815148 532628940 /nfs/dbraw/zinc/62/89/40/532628940.db2.gz WIYSZHGOXUROHR-OLZOCXBDSA-N 1 0 377.909 2.433 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000530768255 532629005 /nfs/dbraw/zinc/62/90/05/532629005.db2.gz IVBCUGLFFBSWLT-ZDUSSCGKSA-N 1 0 384.420 2.220 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000530768254 532629338 /nfs/dbraw/zinc/62/93/38/532629338.db2.gz IVBCUGLFFBSWLT-CYBMUJFWSA-N 1 0 384.420 2.220 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000566909040 532629702 /nfs/dbraw/zinc/62/97/02/532629702.db2.gz GEROUWOLGCGCFK-CZUORRHYSA-N 1 0 394.313 2.310 20 0 GEADRO CO[C@H](CS(=O)(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[C@H]1CCOC1 ZINC000656736489 532629907 /nfs/dbraw/zinc/62/99/07/532629907.db2.gz ASPKLEJKOINKDT-XJKSGUPXSA-N 1 0 376.906 2.195 20 0 GEADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376857139 532632910 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C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C[C@H]1C[NH3+] ZINC000633029512 532658049 /nfs/dbraw/zinc/65/80/49/532658049.db2.gz XGNMSOQOQJVUEP-GHMZBOCLSA-N 1 0 375.416 2.333 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000633031736 532658458 /nfs/dbraw/zinc/65/84/58/532658458.db2.gz ZZQJEQGNCBUXCK-BETUJISGSA-N 1 0 396.285 2.138 20 0 GEADRO CN(Cc1ccco1)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000298538460 532658544 /nfs/dbraw/zinc/65/85/44/532658544.db2.gz MWSNZWRTWPWWRJ-QGZVFWFLSA-N 1 0 381.270 2.498 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000633040710 532658953 /nfs/dbraw/zinc/65/89/53/532658953.db2.gz RPFZVXYEJBBCQD-NKWVEPMBSA-N 1 0 378.629 2.128 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)ccc1Br ZINC000633035916 532659328 /nfs/dbraw/zinc/65/93/28/532659328.db2.gz IDAWLIHMWPFHAV-WDEREUQCSA-N 1 0 384.274 2.123 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000633039404 532659338 /nfs/dbraw/zinc/65/93/38/532659338.db2.gz SYPCMYHYBWXFIF-IONNQARKSA-N 1 0 394.191 2.355 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000633039360 532659571 /nfs/dbraw/zinc/65/95/71/532659571.db2.gz CZIFWSSYJMZXND-QWRGUYRKSA-N 1 0 376.254 2.489 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000633040383 532659713 /nfs/dbraw/zinc/65/97/13/532659713.db2.gz IIOTUCZABSUKKH-XCBNKYQSSA-N 1 0 394.191 2.355 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000378222589 532683631 /nfs/dbraw/zinc/68/36/31/532683631.db2.gz GHKJRUKWGMACCI-BLLLJJGKSA-N 1 0 386.901 2.279 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(C)c1Cl ZINC000378223097 532684043 /nfs/dbraw/zinc/68/40/43/532684043.db2.gz GSEWZNIJWDESOB-NSHDSACASA-N 1 0 392.930 2.355 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378235285 532685217 /nfs/dbraw/zinc/68/52/17/532685217.db2.gz XGYIZBDZLYHVME-TZMCWYRMSA-N 1 0 386.901 2.264 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638201385 532685470 /nfs/dbraw/zinc/68/54/70/532685470.db2.gz MLVIMWNDQQOUKN-DAXOMENPSA-N 1 0 394.313 2.054 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cccc(F)c2I)C[C@H]1C[NH3+] ZINC000601560713 532685509 /nfs/dbraw/zinc/68/55/09/532685509.db2.gz KAROWFVVNSCWJM-RKDXNWHRSA-N 1 0 377.201 2.489 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)c(Br)c1 ZINC000439243537 532685879 /nfs/dbraw/zinc/68/58/79/532685879.db2.gz CXLXFCDPUQOKPA-UONOGXRCSA-N 1 0 377.279 2.493 20 0 GEADRO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638227984 532685892 /nfs/dbraw/zinc/68/58/92/532685892.db2.gz VIWXMMBQHUHKDO-JENIJYKNSA-N 1 0 392.341 2.233 20 0 GEADRO O=C(CCc1ccc(Cl)c(F)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638219141 532686038 /nfs/dbraw/zinc/68/60/38/532686038.db2.gz IFGWVJOTVGBKFN-CQSZACIVSA-N 1 0 381.801 2.364 20 0 GEADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638227987 532686124 /nfs/dbraw/zinc/68/61/24/532686124.db2.gz VIWXMMBQHUHKDO-YQVWRLOYSA-N 1 0 392.341 2.233 20 0 GEADRO O=C(Cn1cc(Br)cn1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000298728356 532670398 /nfs/dbraw/zinc/67/03/98/532670398.db2.gz GBKNLNMWFBQAHX-UHFFFAOYSA-N 1 0 391.313 2.469 20 0 GEADRO O=C(c1ccnc(Cl)c1I)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377795447 532670994 /nfs/dbraw/zinc/67/09/94/532670994.db2.gz CZTIQIQYXYMSPQ-RKDXNWHRSA-N 1 0 391.640 2.021 20 0 GEADRO CCc1nnc(NC(=O)N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)s1 ZINC000377793988 532671388 /nfs/dbraw/zinc/67/13/88/532671388.db2.gz WENPJPRUOANJFQ-MFKMUULPSA-N 1 0 380.543 2.898 20 0 GEADRO CCc1nnc(NC(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)s1 ZINC000377793989 532671691 /nfs/dbraw/zinc/67/16/91/532671691.db2.gz WENPJPRUOANJFQ-ZWNOBZJWSA-N 1 0 380.543 2.898 20 0 GEADRO O=C(c1ccnc(Cl)c1I)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377795444 532671849 /nfs/dbraw/zinc/67/18/49/532671849.db2.gz CZTIQIQYXYMSPQ-BDAKNGLRSA-N 1 0 391.640 2.021 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000482525012 532672796 /nfs/dbraw/zinc/67/27/96/532672796.db2.gz DSUJQZNERSZANR-CYBMUJFWSA-N 1 0 383.539 2.355 20 0 GEADRO O=C(Nc1ncc(Br)s1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000635397505 532673090 /nfs/dbraw/zinc/67/30/90/532673090.db2.gz MGJNVAYSUVWNGX-OAHLLOKOSA-N 1 0 382.283 2.481 20 0 GEADRO O=C(Nc1ncc(Br)s1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000635397504 532673307 /nfs/dbraw/zinc/67/33/07/532673307.db2.gz MGJNVAYSUVWNGX-HNNXBMFYSA-N 1 0 382.283 2.481 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](CC)c1cc(F)cc(Br)c1 ZINC000568235256 532673482 /nfs/dbraw/zinc/67/34/82/532673482.db2.gz XIWNQSDZTRVDNS-AWEZNQCLSA-N 1 0 388.281 2.271 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000285367323 532674660 /nfs/dbraw/zinc/67/46/60/532674660.db2.gz UTENRMXFFAWHOG-SNVBAGLBSA-N 1 0 378.420 2.433 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc2cc(Br)ccc2o1 ZINC000264443586 532674880 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GEADRO CNS(=O)(=O)CC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000438915561 532680427 /nfs/dbraw/zinc/68/04/27/532680427.db2.gz IKLKDQYSFNHOBC-UHFFFAOYSA-N 1 0 390.328 2.211 20 0 GEADRO O=C(CCC1C[NH2+]C1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000638073919 532680769 /nfs/dbraw/zinc/68/07/69/532680769.db2.gz QZKULNOZNZWFBA-UHFFFAOYSA-N 1 0 395.301 2.021 20 0 GEADRO CC(C)([C@@H](NCCNS(C)(=O)=O)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000484537454 532680793 /nfs/dbraw/zinc/68/07/93/532680793.db2.gz QDHZUBUGFGJCDU-INIZCTEOSA-N 1 0 375.485 2.019 20 0 GEADRO CO[C@H](C)C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000638113062 532681544 /nfs/dbraw/zinc/68/15/44/532681544.db2.gz QILUVXXBEYJHML-LLVKDONJSA-N 1 0 379.320 2.342 20 0 GEADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000638122913 532681847 /nfs/dbraw/zinc/68/18/47/532681847.db2.gz MRNLNXRRMDKOOM-IINYFYTJSA-N 1 0 381.782 2.016 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2cc(Br)ccc2F)CC1 ZINC000535427905 532681970 /nfs/dbraw/zinc/68/19/70/532681970.db2.gz RBRNPEJFQACGHP-OAHLLOKOSA-N 1 0 387.293 2.436 20 0 GEADRO COCC[NH2+]CCNC(=O)c1cc(Br)c(C)cc1Br ZINC000638151942 532682174 /nfs/dbraw/zinc/68/21/74/532682174.db2.gz BLZDUSMFVDACMG-UHFFFAOYSA-N 1 0 394.107 2.486 20 0 GEADRO NC(=O)C1CCN(c2ncccc2CNC(=O)c2sccc2Cl)CC1 ZINC000285474154 532682575 /nfs/dbraw/zinc/68/25/75/532682575.db2.gz CFHKLYVQAHLDFK-UHFFFAOYSA-N 1 0 378.885 2.428 20 0 GEADRO COc1cccc(C[C@@H]([NH3+])C(=O)NCCOc2ncc(Cl)cc2Cl)c1 ZINC000638131730 532682730 /nfs/dbraw/zinc/68/27/30/532682730.db2.gz ANJJOGDOSRMEBD-OAHLLOKOSA-N 1 0 384.263 2.462 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1Br ZINC000264906515 532682950 /nfs/dbraw/zinc/68/29/50/532682950.db2.gz SJHJPJAIVIRCOO-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1sc(Br)nc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000298886549 532683145 /nfs/dbraw/zinc/68/31/45/532683145.db2.gz IHWJXABWRVDXAM-NSHDSACASA-N 1 0 376.320 2.181 20 0 GEADRO Cn1cc(C[C@H]2CC[N@H+](Cc3cnn4cc(Br)cnc34)C2)cn1 ZINC000638160334 532683528 /nfs/dbraw/zinc/68/35/28/532683528.db2.gz WRCDTHRSWAUHFD-GFCCVEGCSA-N 1 0 375.274 2.290 20 0 GEADRO NC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439455570 532693278 /nfs/dbraw/zinc/69/32/78/532693278.db2.gz VMBKNCUPIHBJLN-ZIAGYGMSSA-N 1 0 389.265 2.058 20 0 GEADRO OCC[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439454466 532693305 /nfs/dbraw/zinc/69/33/05/532693305.db2.gz RSYGHOFAKAAGMU-KGLIPLIRSA-N 1 0 394.306 2.128 20 0 GEADRO CC(C)Oc1cc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1Br ZINC000640440367 532693721 /nfs/dbraw/zinc/69/37/21/532693721.db2.gz ALVQVPIDFBUQKX-MRXNPFEDSA-N 1 0 386.290 2.424 20 0 GEADRO CC[N@H+](CCC(=O)OC)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439449167 532694083 /nfs/dbraw/zinc/69/40/83/532694083.db2.gz IGKRIGCZAUQCSG-CYBMUJFWSA-N 1 0 378.238 2.213 20 0 GEADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1(C(N)=O)CCCC1 ZINC000439452978 532694328 /nfs/dbraw/zinc/69/43/28/532694328.db2.gz OFEXBSNZTMTRRO-ZDUSSCGKSA-N 1 0 389.265 2.058 20 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/nfs/dbraw/zinc/69/58/17/532695817.db2.gz RFAGOIGTYCYTCH-WMLDXEAASA-N 1 0 396.329 2.427 20 0 GEADRO O=C(Cn1cc(CN2CCC[C@H]2CO)nn1)Nc1cc(Cl)ccc1Cl ZINC000640759536 532697897 /nfs/dbraw/zinc/69/78/97/532697897.db2.gz USGBEPMJAVKXAF-ZDUSSCGKSA-N 1 0 384.267 2.180 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000569522258 532697925 /nfs/dbraw/zinc/69/79/25/532697925.db2.gz GSWFRNAGFUHUPB-UONOGXRCSA-N 1 0 394.313 2.355 20 0 GEADRO CCC[C@]1([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)CCOC1 ZINC000285681932 532698495 /nfs/dbraw/zinc/69/84/95/532698495.db2.gz UWNQADGCBGSAEO-KRWDZBQOSA-N 1 0 398.301 2.053 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1Cl ZINC000666288504 532698969 /nfs/dbraw/zinc/69/89/69/532698969.db2.gz YLJVASCMANBJEM-OAHLLOKOSA-N 1 0 385.917 2.011 20 0 GEADRO CC(C)C[C@H](CNC(=O)c1nc2ncc(Br)cn2n1)[NH+]1CCCC1 ZINC000299152053 532698901 /nfs/dbraw/zinc/69/89/01/532698901.db2.gz PWAKOMWNHBEHDE-CYBMUJFWSA-N 1 0 395.305 2.127 20 0 GEADRO Cn1cc(Br)cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1=O ZINC000666287988 532699375 /nfs/dbraw/zinc/69/93/75/532699375.db2.gz TUOODQRFXBJKMY-NSHDSACASA-N 1 0 385.306 2.390 20 0 GEADRO Cn1cc(Br)cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1=O ZINC000666287986 532700017 /nfs/dbraw/zinc/70/00/17/532700017.db2.gz TUOODQRFXBJKMY-LLVKDONJSA-N 1 0 385.306 2.390 20 0 GEADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000266041208 532700231 /nfs/dbraw/zinc/70/02/31/532700231.db2.gz VUNCSKODXUCGCK-ZBFHGGJFSA-N 1 0 389.323 2.387 20 0 GEADRO Cc1cc(Br)cn2c(CNc3nc(-c4nccn4C)no3)cnc12 ZINC000378642678 532700295 /nfs/dbraw/zinc/70/02/95/532700295.db2.gz QARYTJCRQWCFSK-UHFFFAOYSA-N 1 0 388.229 2.801 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)Nc2cn(C)cc(Br)c2=O)CC1 ZINC000666690383 532700405 /nfs/dbraw/zinc/70/04/05/532700405.db2.gz IVXIWJFGJAAXNM-UHFFFAOYSA-N 1 0 385.306 2.391 20 0 GEADRO C[C@H](CNC(=O)Nc1cn(C)cc(Br)c1=O)[NH+]1CCC(C)CC1 ZINC000666691277 532701215 /nfs/dbraw/zinc/70/12/15/532701215.db2.gz XFIVFLCVXSLYMQ-GFCCVEGCSA-N 1 0 385.306 2.390 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000666693375 532702464 /nfs/dbraw/zinc/70/24/64/532702464.db2.gz PWCWKQRFZDOBMY-UHFFFAOYSA-N 1 0 385.306 2.486 20 0 GEADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000285731443 532702601 /nfs/dbraw/zinc/70/26/01/532702601.db2.gz VFIUFGSUXBLGIA-UHFFFAOYSA-N 1 0 396.962 2.149 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)s1 ZINC000638782984 532687045 /nfs/dbraw/zinc/68/70/45/532687045.db2.gz FIADIFMTGAGUEL-INIZCTEOSA-N 1 0 379.551 2.451 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCN(CC(F)F)C1)COc1ccc(Br)cc1 ZINC000568992139 532687073 /nfs/dbraw/zinc/68/70/73/532687073.db2.gz XDNJPJPRONMBNH-OLZOCXBDSA-N 1 0 379.245 2.118 20 0 GEADRO Brc1cnc2c(C[NH2+][C@@H]3CCCC[C@H]3N3CCOCC3)cnn2c1 ZINC000638763919 532687107 /nfs/dbraw/zinc/68/71/07/532687107.db2.gz LSSQKIKHSXLPSN-HZPDHXFCSA-N 1 0 394.317 2.225 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000569001865 532687182 /nfs/dbraw/zinc/68/71/82/532687182.db2.gz NFQDMSGLMOWUGH-JTQLQIEISA-N 1 0 395.294 2.407 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000569001866 532687203 /nfs/dbraw/zinc/68/72/03/532687203.db2.gz NFQDMSGLMOWUGH-SNVBAGLBSA-N 1 0 395.294 2.407 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000638761094 532687625 /nfs/dbraw/zinc/68/76/25/532687625.db2.gz YQLRDQZGMWXDKH-CYBMUJFWSA-N 1 0 386.949 2.154 20 0 GEADRO O[C@H](C[NH2+]Cc1cc2c(cn1)OCCO2)COc1ccccc1Br ZINC000638768578 532687639 /nfs/dbraw/zinc/68/76/39/532687639.db2.gz BNVHTEFLUJJEOM-CYBMUJFWSA-N 1 0 395.253 2.145 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000265055533 532687877 /nfs/dbraw/zinc/68/78/77/532687877.db2.gz XRTPSXAIMXEQJJ-ZDUSSCGKSA-N 1 0 379.917 2.423 20 0 GEADRO Cn1cc([C@@H]2CSCCN2C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cn1 ZINC000568999479 532688141 /nfs/dbraw/zinc/68/81/41/532688141.db2.gz ABYZFIPPARSBQL-SJORKVTESA-N 1 0 380.583 2.254 20 0 GEADRO COC(=O)CC1([NH2+]Cc2cccc(C(F)(F)F)c2)CCS(=O)(=O)CC1 ZINC000439268739 532688802 /nfs/dbraw/zinc/68/88/02/532688802.db2.gz UVRVKYYEFKXKNC-UHFFFAOYSA-N 1 0 379.400 2.306 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cccnc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378311406 532689247 /nfs/dbraw/zinc/68/92/47/532689247.db2.gz HEQVQKXODSMSFY-HIFRSBDPSA-N 1 0 396.333 2.334 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000439353842 532689551 /nfs/dbraw/zinc/68/95/51/532689551.db2.gz HGRXAJRNSJDGDA-VIFPVBQESA-N 1 0 390.228 2.218 20 0 GEADRO CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@H](O)c1ccc(Br)cc1 ZINC000265273482 532690911 /nfs/dbraw/zinc/69/09/11/532690911.db2.gz UWJJEVQOJMGENK-SJORKVTESA-N 1 0 390.318 2.217 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)c1Br ZINC000569176631 532691086 /nfs/dbraw/zinc/69/10/86/532691086.db2.gz UHRCZUHLAJHOGV-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO CSc1ccc([C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)N(C)C)cc1 ZINC000639212326 532691191 /nfs/dbraw/zinc/69/11/91/532691191.db2.gz CSNTXZRRPQWANL-SFHVURJKSA-N 1 0 379.551 2.448 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000489065149 532703345 /nfs/dbraw/zinc/70/33/45/532703345.db2.gz CHQLFYVOLIQMPO-UHFFFAOYSA-N 1 0 386.901 2.422 20 0 GEADRO CN(C(=O)c1ccc(I)c(O)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000383714694 532703738 /nfs/dbraw/zinc/70/37/38/532703738.db2.gz FEKZUWSFXKMXNJ-ZDUSSCGKSA-N 1 0 386.233 2.163 20 0 GEADRO C[N@H+](CCOc1ccc(Br)cc1)C[C@H](O)COC[C@H]1CCCO1 ZINC000641938079 532704333 /nfs/dbraw/zinc/70/43/33/532704333.db2.gz IGXSUVPLGKULBY-DOTOQJQBSA-N 1 0 388.302 2.316 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000569712612 532705578 /nfs/dbraw/zinc/70/55/78/532705578.db2.gz FDJWWPMROUAZIB-SNVBAGLBSA-N 1 0 383.235 2.294 20 0 GEADRO COc1cc(Br)c(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000666919625 532706467 /nfs/dbraw/zinc/70/64/67/532706467.db2.gz VOPKJAFMTIDASE-OTYXRUKQSA-N 1 0 388.262 2.046 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000572608618 532706716 /nfs/dbraw/zinc/70/67/16/532706716.db2.gz LIDYJGVRIROFNG-UHFFFAOYSA-N 1 0 390.315 2.210 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)[C@@H](C)C1 ZINC000266214941 532707684 /nfs/dbraw/zinc/70/76/84/532707684.db2.gz RCTVLURAUMMKTB-WFASDCNBSA-N 1 0 388.917 2.477 20 0 GEADRO CC[N@H+](C)CCNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000299296766 532707765 /nfs/dbraw/zinc/70/77/65/532707765.db2.gz WNZWLDUWNUFFFV-UHFFFAOYSA-N 1 0 378.786 2.152 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2nn(C(C)(C)C)cc2Br)cn1 ZINC000667772373 532707964 /nfs/dbraw/zinc/70/79/64/532707964.db2.gz DNPJWTWNELRQAL-UHFFFAOYSA-N 1 0 383.294 2.411 20 0 GEADRO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000537422623 532708150 /nfs/dbraw/zinc/70/81/50/532708150.db2.gz ITIZVMXVVAUJLM-UPJWGTAASA-N 1 0 392.974 2.252 20 0 GEADRO CC(C)n1cc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)cn1 ZINC000608024631 532708163 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C[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000440335194 532710496 /nfs/dbraw/zinc/71/04/96/532710496.db2.gz FXHZRNDXKUEOMD-BDAKNGLRSA-N 1 0 383.258 2.394 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]2c2ccc(Br)cc2)CC1 ZINC000668374241 532711418 /nfs/dbraw/zinc/71/14/18/532711418.db2.gz WTTXFRWWGUPPDO-INIZCTEOSA-N 1 0 394.313 2.323 20 0 GEADRO [NH3+][C@H](CC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000643991834 532711521 /nfs/dbraw/zinc/71/15/21/532711521.db2.gz SMPODPXHGZBXDA-INIZCTEOSA-N 1 0 380.897 2.190 20 0 GEADRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1C ZINC000643984888 532711954 /nfs/dbraw/zinc/71/19/54/532711954.db2.gz QWTQNQKQKHGOHJ-LBPRGKRZSA-N 1 0 375.441 2.330 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)ccc1S(C)(=O)=O ZINC000285822335 532712006 /nfs/dbraw/zinc/71/20/06/532712006.db2.gz XHILSCQFNCJCSN-CYBMUJFWSA-N 1 0 389.539 2.107 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000440358099 532712371 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Brc1ccn2cc(C[NH2+]CCc3nnnn3-c3ccccc3)nc2c1 ZINC000576151613 532725253 /nfs/dbraw/zinc/72/52/53/532725253.db2.gz DSRDKIVLZRRNIR-UHFFFAOYSA-N 1 0 398.268 2.405 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000613035473 532725331 /nfs/dbraw/zinc/72/53/31/532725331.db2.gz MAXGSQUBWDSJAK-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO Cc1c(Br)c2ccccc2n1CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000266803354 532725743 /nfs/dbraw/zinc/72/57/43/532725743.db2.gz ZQRBSBCMCZIXMF-UHFFFAOYSA-N 1 0 394.313 2.285 20 0 GEADRO C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000539302523 532727913 /nfs/dbraw/zinc/72/79/13/532727913.db2.gz ATBAFTGEBWZIIK-IZHWHUGBSA-N 1 0 380.535 2.395 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cccc(Br)c1 ZINC000672616380 532728644 /nfs/dbraw/zinc/72/86/44/532728644.db2.gz CRIIZDBFIFGXEN-SWLSCSKDSA-N 1 0 390.347 2.371 20 0 GEADRO COC(=O)c1csc([C@@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000286091742 532728771 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CSc1nc(=O)[nH]c(C)c1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000266979218 532731802 /nfs/dbraw/zinc/73/18/02/532731802.db2.gz FAXHKLRCMDHSFI-UHFFFAOYSA-N 1 0 382.555 2.304 20 0 GEADRO COc1cc(OC)c(NC(=O)CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1Cl ZINC000539491303 532731982 /nfs/dbraw/zinc/73/19/82/532731982.db2.gz NDXOCAWMLIMMHB-CJNGLKHVSA-N 1 0 387.933 2.273 20 0 GEADRO CS[C@@H]1CN(CC(=O)Nc2nnc(-c3sccc3C)o2)C[C@@H]1[NH+](C)C ZINC000539492238 532732005 /nfs/dbraw/zinc/73/20/05/532732005.db2.gz MFKSQZRAFHNSFC-NWDGAFQWSA-N 1 0 381.527 2.022 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000673822087 532732393 /nfs/dbraw/zinc/73/23/93/532732393.db2.gz ZYCZVKQJJZARQX-LBPRGKRZSA-N 1 0 389.315 2.220 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000502862790 532742325 /nfs/dbraw/zinc/74/23/25/532742325.db2.gz RKJYHKZHEMVWQY-CYBMUJFWSA-N 1 0 397.317 2.432 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(Br)cc1 ZINC000502857318 532742461 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394.313 2.393 20 0 GEADRO CSc1nc2ncnc(N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)c2s1 ZINC000301189285 532743493 /nfs/dbraw/zinc/74/34/93/532743493.db2.gz LJNHWFPAXFWWIG-ZDUSSCGKSA-N 1 0 378.571 2.415 20 0 GEADRO Cc1nnc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)[nH]1 ZINC000540864740 532746451 /nfs/dbraw/zinc/74/64/51/532746451.db2.gz PFHJSTANGRNBJV-DZGCQCFKSA-N 1 0 395.301 2.495 20 0 GEADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1csc(S(N)(=O)=O)c1)[NH+](C)C ZINC000443406639 532746970 /nfs/dbraw/zinc/74/69/70/532746970.db2.gz MXJCYTXRCKVWIH-BLLLJJGKSA-N 1 0 381.523 2.125 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)CC12CCOCC2 ZINC000580444251 532747116 /nfs/dbraw/zinc/74/71/16/532747116.db2.gz ZTFAUQUZFXTEOG-ZDUSSCGKSA-N 1 0 385.277 2.345 20 0 GEADRO COC(=O)CNC(=O)CC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503410692 532747588 /nfs/dbraw/zinc/74/75/88/532747588.db2.gz YGMVPQREEDRRAQ-UHFFFAOYSA-N 1 0 383.286 2.308 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCn1cc(Br)cn1 ZINC000503375926 532747628 /nfs/dbraw/zinc/74/76/28/532747628.db2.gz XMIANGSVUPCOIP-AWEZNQCLSA-N 1 0 386.338 2.455 20 0 GEADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000299637919 532733304 /nfs/dbraw/zinc/73/33/04/532733304.db2.gz HOQUAGXMIUZKNE-MRXNPFEDSA-N 1 0 382.551 2.307 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615510058 532747818 /nfs/dbraw/zinc/74/78/18/532747818.db2.gz ACFPKZPROPELIW-AWEZNQCLSA-N 1 0 384.567 2.371 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000286213934 532734094 /nfs/dbraw/zinc/73/40/94/532734094.db2.gz STKDTRAGNIKDBV-LBPRGKRZSA-N 1 0 398.248 2.282 20 0 GEADRO CN(Cc1nnnn1-c1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442774809 532734586 /nfs/dbraw/zinc/73/45/86/532734586.db2.gz FJCVCHWWISNZSI-FUNVUKJBSA-N 1 0 377.290 2.140 20 0 GEADRO CCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@H](C)CS(=O)(=O)CC ZINC000500778099 532735213 /nfs/dbraw/zinc/73/52/13/532735213.db2.gz GAPPNTYOHCFFOT-DLBZAZTESA-N 1 0 375.579 2.353 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299924414 532737062 /nfs/dbraw/zinc/73/70/62/532737062.db2.gz ZQDNACAMQOJSQC-JOYOIKCWSA-N 1 0 379.707 2.475 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[NH+]1CCCC1 ZINC000540382811 532737061 /nfs/dbraw/zinc/73/70/61/532737061.db2.gz HFYAYUSHPVOXMP-VIFPVBQESA-N 1 0 390.228 2.266 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCOc2ccc(Br)cc21)COC1CCOCC1 ZINC000674845568 532737363 /nfs/dbraw/zinc/73/73/63/532737363.db2.gz XALFFXBKBCNTMG-CJNGLKHVSA-N 1 0 386.286 2.419 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000578501440 532737541 /nfs/dbraw/zinc/73/75/41/532737541.db2.gz GMGCFXTZMVKRIK-OAHLLOKOSA-N 1 0 386.677 2.253 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000501155136 532738253 /nfs/dbraw/zinc/73/82/53/532738253.db2.gz NFXLMCNLVHHEIH-UHFFFAOYSA-N 1 0 391.331 2.420 20 0 GEADRO CSC1(CNC(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC[NH+](C)CC1 ZINC000578701727 532738508 /nfs/dbraw/zinc/73/85/08/532738508.db2.gz WNMRPQVGMCJJPG-UHFFFAOYSA-N 1 0 386.543 2.007 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1c(Cl)cc(F)cc1Br ZINC000614512519 532738621 /nfs/dbraw/zinc/73/86/21/532738621.db2.gz BAMNAMRSQXULIC-NSHDSACASA-N 1 0 390.684 2.361 20 0 GEADRO Ic1cnc(C[NH2+]CCCOC2CCOCC2)s1 ZINC000286294321 532738640 /nfs/dbraw/zinc/73/86/40/532738640.db2.gz CEZZTHQFFYHCBD-UHFFFAOYSA-N 1 0 382.267 2.423 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(I)c(O)c1 ZINC000300416224 532738801 /nfs/dbraw/zinc/73/88/01/532738801.db2.gz FWWSDUJNMSJWAY-CHWSQXEVSA-N 1 0 386.233 2.353 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000501218322 532739718 /nfs/dbraw/zinc/73/97/18/532739718.db2.gz OZKLFYSZJVIRIL-HIFRSBDPSA-N 1 0 387.571 2.056 20 0 GEADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000675819319 532740409 /nfs/dbraw/zinc/74/04/09/532740409.db2.gz LPMOGJOMVHJNAP-GFCCVEGCSA-N 1 0 380.341 2.221 20 0 GEADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1Cl ZINC000675817350 532741311 /nfs/dbraw/zinc/74/13/11/532741311.db2.gz RQJLWOQDYBULDM-GFCCVEGCSA-N 1 0 380.341 2.221 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1)c1cccc(Br)c1 ZINC000579495023 532741823 /nfs/dbraw/zinc/74/18/23/532741823.db2.gz KHUVSZNIHQHJHZ-YQQAZPJKSA-N 1 0 394.313 2.499 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000301585411 532754363 /nfs/dbraw/zinc/75/43/63/532754363.db2.gz AZWXIZYTLWJBRL-UHFFFAOYSA-N 1 0 377.286 2.208 20 0 GEADRO CN(C(=O)C(=O)NCCOc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000581360170 532754387 /nfs/dbraw/zinc/75/43/87/532754387.db2.gz WQYGHOQXNHMRBO-GFCCVEGCSA-N 1 0 388.295 2.089 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000268083041 532755631 /nfs/dbraw/zinc/75/56/31/532755631.db2.gz GVBAQYWQDCHNFR-UHFFFAOYSA-N 1 0 377.432 2.340 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000286583665 532755905 /nfs/dbraw/zinc/75/59/05/532755905.db2.gz VFBQLUDDEPCVDJ-HUBLWGQQSA-N 1 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ZINC000286683495 532761490 /nfs/dbraw/zinc/76/14/90/532761490.db2.gz HKFGGOVISHTAFS-LYRGGWFBSA-N 1 0 377.286 2.445 20 0 GEADRO O=S(=O)(Cc1c(F)cccc1Cl)NCCCC[N@H+]1CCC[C@H]1CO ZINC000451225488 532762307 /nfs/dbraw/zinc/76/23/07/532762307.db2.gz GNKHDRXYDXWFCP-ZDUSSCGKSA-N 1 0 378.897 2.135 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)C[C@@H](O)C[N@H+](C)CCOC ZINC000583031816 532763015 /nfs/dbraw/zinc/76/30/15/532763015.db2.gz DQDPCLRMEFTSPY-HNNXBMFYSA-N 1 0 377.298 2.349 20 0 GEADRO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Oc1cccc(Br)c1 ZINC000580463458 532748314 /nfs/dbraw/zinc/74/83/14/532748314.db2.gz OQGICXFCYSHRLB-CYBMUJFWSA-N 1 0 395.301 2.405 20 0 GEADRO C[NH+](C)CCNC(=O)c1cc(Br)cc(I)c1 ZINC000504535828 532748483 /nfs/dbraw/zinc/74/84/83/532748483.db2.gz HLADJJUZYYCEGL-UHFFFAOYSA-N 1 0 397.054 2.345 20 0 GEADRO NC(=O)c1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c(Cl)c1 ZINC000301307371 532748941 /nfs/dbraw/zinc/74/89/41/532748941.db2.gz ZXALONIPXIBSAR-SECBINFHSA-N 1 0 378.889 2.379 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000541152566 532749012 /nfs/dbraw/zinc/74/90/12/532749012.db2.gz DKCUBUPECHYFLP-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(Br)c1 ZINC000583060890 532763106 /nfs/dbraw/zinc/76/31/06/532763106.db2.gz GWVGAVAZUXBSLP-BETUJISGSA-N 1 0 380.286 2.024 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000411244299 532750894 /nfs/dbraw/zinc/75/08/94/532750894.db2.gz NFQPOYGQUJBJNP-GFCCVEGCSA-N 1 0 386.265 2.436 20 0 GEADRO COCCN1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000581006785 532752891 /nfs/dbraw/zinc/75/28/91/532752891.db2.gz QEJTYOBFLPQEEZ-OAHLLOKOSA-N 1 0 377.312 2.434 20 0 GEADRO CN(CC[NH2+]Cc1ncc(I)s1)CC(F)(F)F ZINC000286517927 532753368 /nfs/dbraw/zinc/75/33/68/532753368.db2.gz NBFIJSZDPNEHEJ-UHFFFAOYSA-N 1 0 379.189 2.331 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCC(=O)Nc2ccc(Br)cc2)CCC1 ZINC000445843543 532753581 /nfs/dbraw/zinc/75/35/81/532753581.db2.gz RTYFDPLGJZVRBR-UHFFFAOYSA-N 1 0 383.290 2.171 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)CC[C@@H]21 ZINC000269015935 532774930 /nfs/dbraw/zinc/77/49/30/532774930.db2.gz OLFXTNAZEHJDBK-NHYWBVRUSA-N 1 0 398.276 2.469 20 0 GEADRO COC(=O)C1CCC([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000286916671 532775100 /nfs/dbraw/zinc/77/51/00/532775100.db2.gz FJJNZNRYSFSKRF-YMAMQOFZSA-N 1 0 386.539 2.223 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000286907683 532775198 /nfs/dbraw/zinc/77/51/98/532775198.db2.gz CSNPUSWPGHPIQR-QWHCGFSZSA-N 1 0 377.539 2.381 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)CC[C@H]21 ZINC000269015938 532775249 /nfs/dbraw/zinc/77/52/49/532775249.db2.gz OLFXTNAZEHJDBK-XHDPSFHLSA-N 1 0 398.276 2.469 20 0 GEADRO Cc1ccc(I)c(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000511866491 532775797 /nfs/dbraw/zinc/77/57/97/532775797.db2.gz CFEDKEQQAGGGEK-UHFFFAOYSA-N 1 0 381.217 2.258 20 0 GEADRO C[C@H](NC(=O)c1cccn2c(I)cnc12)[C@@H]1CCC[NH2+]C1 ZINC000269169120 532776839 /nfs/dbraw/zinc/77/68/39/532776839.db2.gz DTUVLFZRAMDSEP-WDEREUQCSA-N 1 0 398.248 2.057 20 0 GEADRO CCN(CCC[NH2+]Cc1cccc(I)c1)S(C)(=O)=O ZINC000311396950 532777367 /nfs/dbraw/zinc/77/73/67/532777367.db2.gz SRHKCIXANXJYME-UHFFFAOYSA-N 1 0 396.294 2.052 20 0 GEADRO COc1cc(I)c(C(=O)NC[C@H]([NH3+])C(C)C)cc1OC ZINC000269248139 532777427 /nfs/dbraw/zinc/77/74/27/532777427.db2.gz FGZAUXXLGWOZQJ-NSHDSACASA-N 1 0 392.237 2.022 20 0 GEADRO COc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(I)c1 ZINC000269241988 532777833 /nfs/dbraw/zinc/77/78/33/532777833.db2.gz XVJJIPYERAEEAK-QWRGUYRKSA-N 1 0 388.249 2.418 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1ccccn1)c1ccccc1Br ZINC000512894164 532778846 /nfs/dbraw/zinc/77/88/46/532778846.db2.gz HUVIXNRQIDRZCR-UHFFFAOYSA-N 1 0 384.299 2.302 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000512893202 532778958 /nfs/dbraw/zinc/77/89/58/532778958.db2.gz BFABFONGSMIJEF-HOCLYGCPSA-N 1 0 380.539 2.403 20 0 GEADRO [NH3+]C[C@@H]1CN(Cc2ncc(Br)cc2Br)CCCO1 ZINC000313346340 532779073 /nfs/dbraw/zinc/77/90/73/532779073.db2.gz RJGZIANUCYVPDU-SNVBAGLBSA-N 1 0 379.096 2.156 20 0 GEADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCN(C(=O)CO)CC2)c1C ZINC000301948498 532763457 /nfs/dbraw/zinc/76/34/57/532763457.db2.gz HZMWYJOJGPQHBX-UHFFFAOYSA-N 1 0 378.270 2.255 20 0 GEADRO CSc1nc2ncnc(N3CCCC[C@H]([NH+]4CCN(C)CC4)C3)c2s1 ZINC000301992293 532763861 /nfs/dbraw/zinc/76/38/61/532763861.db2.gz YSPQDXJDDXHLEH-ZDUSSCGKSA-N 1 0 378.571 2.415 20 0 GEADRO CSc1ccccc1NC(=O)CC[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000268398168 532764360 /nfs/dbraw/zinc/76/43/60/532764360.db2.gz TVOFEEUKKUWZPL-UHFFFAOYSA-N 1 0 385.555 2.093 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)CCc1ccc(Br)cc1OC ZINC000542080197 532764484 /nfs/dbraw/zinc/76/44/84/532764484.db2.gz SKKAESMUVSORCR-UHFFFAOYSA-N 1 0 387.318 2.427 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620977028 532764707 /nfs/dbraw/zinc/76/47/07/532764707.db2.gz QIUAAXXYRZUVAA-GFCCVEGCSA-N 1 0 386.290 2.041 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1Cl ZINC000286725804 532764667 /nfs/dbraw/zinc/76/46/67/532764667.db2.gz NQGITFRHUSLKBK-LRDDRELGSA-N 1 0 386.901 2.374 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000268466670 532764787 /nfs/dbraw/zinc/76/47/87/532764787.db2.gz LULVIXVUYAPMCK-UHFFFAOYSA-N 1 0 387.311 2.028 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2cccc(Br)c2C1 ZINC000583350541 532764932 /nfs/dbraw/zinc/76/49/32/532764932.db2.gz GHXWVHYWMPKTSX-UHFFFAOYSA-N 1 0 375.332 2.479 20 0 GEADRO CNc1cc(I)ccc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000411513992 532764902 /nfs/dbraw/zinc/76/49/02/532764902.db2.gz QKECQQMZEQZVHE-AWEZNQCLSA-N 1 0 387.265 2.403 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)CCO1 ZINC000620970607 532765139 /nfs/dbraw/zinc/76/51/39/532765139.db2.gz UODRXHQSQHHBFC-HNNXBMFYSA-N 1 0 383.286 2.201 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)COc2cccc(Br)c2)CCO1 ZINC000620960063 532765228 /nfs/dbraw/zinc/76/52/28/532765228.db2.gz GLJBTWBXZHSQKX-MRXNPFEDSA-N 1 0 385.302 2.397 20 0 GEADRO O=S1(=O)CCC(CC[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000542144628 532765711 /nfs/dbraw/zinc/76/57/11/532765711.db2.gz GFEUDKDKTOUIBS-UHFFFAOYSA-N 1 0 386.880 2.364 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000584222482 532767509 /nfs/dbraw/zinc/76/75/09/532767509.db2.gz KEDBMDROBHRCTQ-INIZCTEOSA-N 1 0 394.313 2.228 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000509406749 532768501 /nfs/dbraw/zinc/76/85/01/532768501.db2.gz VPWKHPGCMALFBT-CHWSQXEVSA-N 1 0 387.571 2.192 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509406748 532768557 /nfs/dbraw/zinc/76/85/57/532768557.db2.gz VPWKHPGCMALFBT-BETUJISGSA-N 1 0 387.571 2.192 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccc(Cl)cc3Br)C[C@@H]21 ZINC000451630882 532768711 /nfs/dbraw/zinc/76/87/11/532768711.db2.gz MQIXQBYPYIOEAA-KYOSRNDESA-N 1 0 389.721 2.478 20 0 GEADRO Brc1ccc2ncc(C[NH2+]CCc3nnnn3-c3ccccc3)n2c1 ZINC000509429527 532769912 /nfs/dbraw/zinc/76/99/12/532769912.db2.gz LFNTWMIGPDLAOU-UHFFFAOYSA-N 1 0 398.268 2.405 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000584561389 532770464 /nfs/dbraw/zinc/77/04/64/532770464.db2.gz HGBUNMITINWYOQ-CQSZACIVSA-N 1 0 387.571 2.383 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1ccc(I)cc1 ZINC000509461053 532770922 /nfs/dbraw/zinc/77/09/22/532770922.db2.gz CBVWOPAKRMWXFF-VXGBXAGGSA-N 1 0 387.265 2.254 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000452043889 532770928 /nfs/dbraw/zinc/77/09/28/532770928.db2.gz BZQQCLOOYUECSY-UHFFFAOYSA-N 1 0 399.504 2.461 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000268809087 532771232 /nfs/dbraw/zinc/77/12/32/532771232.db2.gz SPLPEXJABFADMY-GUYCJALGSA-N 1 0 385.917 2.403 20 0 GEADRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1I ZINC000268835684 532771763 /nfs/dbraw/zinc/77/17/63/532771763.db2.gz SDXGZGUCKILUBU-NSHDSACASA-N 1 0 388.249 2.224 20 0 GEADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000411643067 532772131 /nfs/dbraw/zinc/77/21/31/532772131.db2.gz ZOLIRSDDVJZDHQ-KGLIPLIRSA-N 1 0 385.555 2.187 20 0 GEADRO COCC[N@H+](C)CCNC(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000588933910 532772203 /nfs/dbraw/zinc/77/22/03/532772203.db2.gz YLZNSYGWBRRVSA-UHFFFAOYSA-N 1 0 382.555 2.403 20 0 GEADRO COCC[N@H+](C)CCNC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000588933016 532772672 /nfs/dbraw/zinc/77/26/72/532772672.db2.gz VAZTXZZAFTZUGG-NSHDSACASA-N 1 0 377.254 2.050 20 0 GEADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000411914004 532779780 /nfs/dbraw/zinc/77/97/80/532779780.db2.gz JSIUSVUYRREHPJ-XHDPSFHLSA-N 1 0 389.279 2.244 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCCCS3(=O)=O)cnc12 ZINC000542483195 532773431 /nfs/dbraw/zinc/77/34/31/532773431.db2.gz LKIPQEKNVCKNNB-CQSZACIVSA-N 1 0 386.315 2.462 20 0 GEADRO CCCCS(=O)(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000511727143 532774605 /nfs/dbraw/zinc/77/46/05/532774605.db2.gz LGUJCPWIEBNDBV-UHFFFAOYSA-N 1 0 375.579 2.063 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)NC3CC[NH+](C)CC3)s2)cs1 ZINC000549992938 532796658 /nfs/dbraw/zinc/79/66/58/532796658.db2.gz MDQYFMNUWKHHQG-UHFFFAOYSA-N 1 0 378.523 2.007 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314936500 532782209 /nfs/dbraw/zinc/78/22/09/532782209.db2.gz OLOLOXXQVSTDME-PHIMTYICSA-N 1 0 377.279 2.208 20 0 GEADRO CSc1ccccc1OC[C@H](O)C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000411991723 532782475 /nfs/dbraw/zinc/78/24/75/532782475.db2.gz XXEGNLSHKPNKAK-JKSUJKDBSA-N 1 0 387.567 2.293 20 0 GEADRO C[C@H](NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000411982747 532782831 /nfs/dbraw/zinc/78/28/31/532782831.db2.gz KMLKYCARIRPMNP-BJJXKVORSA-N 1 0 385.302 2.003 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000316009738 532782871 /nfs/dbraw/zinc/78/28/71/532782871.db2.gz JYJCYPGDJHTDLR-GFCCVEGCSA-N 1 0 390.299 2.277 20 0 GEADRO O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)[C@H]1CCC[N@@H+]1C1CC1 ZINC000456497088 532782875 /nfs/dbraw/zinc/78/28/75/532782875.db2.gz YMDPIDMOZFQAFN-SJKOYZFVSA-N 1 0 399.304 2.482 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC(C[NH2+]C)CC1 ZINC000316259741 532783282 /nfs/dbraw/zinc/78/32/82/532783282.db2.gz QBPGADFQOOPCHI-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2C)C[C@@H]1[NH+]1CCCC1 ZINC000287183170 532785356 /nfs/dbraw/zinc/78/53/56/532785356.db2.gz DDAMBSXDRVCMIX-QWHCGFSZSA-N 1 0 375.947 2.244 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000319994681 532786051 /nfs/dbraw/zinc/78/60/51/532786051.db2.gz FOAMKVWOXBZBKT-DGCLKSJQSA-N 1 0 389.315 2.220 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(=O)n1C ZINC000287200229 532786136 /nfs/dbraw/zinc/78/61/36/532786136.db2.gz PJZRKLSAIZCSLD-SWLSCSKDSA-N 1 0 382.302 2.155 20 0 GEADRO Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1C ZINC000269690249 532786706 /nfs/dbraw/zinc/78/67/06/532786706.db2.gz IUACJDWVWOLBGV-INIZCTEOSA-N 1 0 381.523 2.045 20 0 GEADRO CNc1cc(I)ccc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000412155053 532786846 /nfs/dbraw/zinc/78/68/46/532786846.db2.gz YJBOVTIOWBMMAX-JTQLQIEISA-N 1 0 375.254 2.403 20 0 GEADRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1C(F)(F)F ZINC000323369883 532788700 /nfs/dbraw/zinc/78/87/00/532788700.db2.gz DGOXRHJLIAMEPH-UHFFFAOYSA-N 1 0 394.235 2.445 20 0 GEADRO CN(CC(=O)NCCCC[N@H+](C)C1CC1)C(=O)c1ccc(Br)o1 ZINC000457206602 532788930 /nfs/dbraw/zinc/78/89/30/532788930.db2.gz SMGJOTAJRRDMOH-UHFFFAOYSA-N 1 0 386.290 2.105 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)cn1 ZINC000287277831 532789561 /nfs/dbraw/zinc/78/95/61/532789561.db2.gz BIACNBQNEJIGCV-SECBINFHSA-N 1 0 385.383 2.194 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000548441291 532790322 /nfs/dbraw/zinc/79/03/22/532790322.db2.gz NIPIJGAWKMFWAV-UHFFFAOYSA-N 1 0 378.270 2.457 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457359999 532790916 /nfs/dbraw/zinc/79/09/16/532790916.db2.gz HLHYBSNDXDQKIC-QMTHXVAHSA-N 1 0 389.315 2.113 20 0 GEADRO C[C@@H](Sc1nnnn1C1CC1)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458196264 532792455 /nfs/dbraw/zinc/79/24/55/532792455.db2.gz DFSBRPJAYSUVAU-GFCCVEGCSA-N 1 0 380.543 2.141 20 0 GEADRO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCC[N@@H+]1C ZINC000458640835 532793695 /nfs/dbraw/zinc/79/36/95/532793695.db2.gz HYYUGLPOTUNEPR-MPESAESLSA-N 1 0 397.317 2.456 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CSc2ccccc21)c1cccs1 ZINC000550003047 532796908 /nfs/dbraw/zinc/79/69/08/532796908.db2.gz ZBQKPHXIJQAQED-UONOGXRCSA-N 1 0 375.519 2.430 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)NCCc2cccc(Br)c2)CC1(C)C ZINC000458739726 532794935 /nfs/dbraw/zinc/79/49/35/532794935.db2.gz YNJJXIYKSLGCCR-UHFFFAOYSA-N 1 0 397.361 2.317 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)c(F)cc1Br ZINC000287444148 532795899 /nfs/dbraw/zinc/79/58/99/532795899.db2.gz MXRDWYVYVWNRAV-UHFFFAOYSA-N 1 0 386.265 2.437 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000270367750 532796011 /nfs/dbraw/zinc/79/60/11/532796011.db2.gz MBDJSCRFRKJYIF-NHYWBVRUSA-N 1 0 390.285 2.242 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270366100 532796133 /nfs/dbraw/zinc/79/61/33/532796133.db2.gz ZIPHZUUTSCRUKA-IAQYHMDHSA-N 1 0 381.325 2.288 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(I)cn3)C2)CC1 ZINC000456004816 532781196 /nfs/dbraw/zinc/78/11/96/532781196.db2.gz PYDLAYFTJKPLDN-CYBMUJFWSA-N 1 0 399.276 2.490 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CCN1C ZINC000555670911 532808679 /nfs/dbraw/zinc/80/86/79/532808679.db2.gz UQFITERHKUHQJD-CZUORRHYSA-N 1 0 396.329 2.425 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(Cl)n1 ZINC000271591604 532809931 /nfs/dbraw/zinc/80/99/31/532809931.db2.gz VMNIEKPCYPQUSE-NSHDSACASA-N 1 0 382.873 2.163 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c(Br)n1 ZINC000271606261 532810361 /nfs/dbraw/zinc/81/03/61/532810361.db2.gz YZVOCLGBLFHNHL-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO CS[C@H]1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)C[C@H]1[NH+]1CCCC1 ZINC000329772447 532810771 /nfs/dbraw/zinc/81/07/71/532810771.db2.gz HLSJIOQCEDEJSR-HIFRSBDPSA-N 1 0 377.539 2.195 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)C[C@@H]1[NH+]1CCCC1 ZINC000329772446 532810979 /nfs/dbraw/zinc/81/09/79/532810979.db2.gz HLSJIOQCEDEJSR-DZGCQCFKSA-N 1 0 377.539 2.195 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2csc(Br)c2)[C@@H](C)C1 ZINC000287485474 532797677 /nfs/dbraw/zinc/79/76/77/532797677.db2.gz ZHBUBAAUYCDELQ-QWRGUYRKSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCc1ccccc1Br ZINC000550820896 532798359 /nfs/dbraw/zinc/79/83/59/532798359.db2.gz WUJHVJQVMFIQTD-KBPBESRZSA-N 1 0 396.329 2.444 20 0 GEADRO CSC1(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)CC[NH+](C)CC1 ZINC000460968962 532798753 /nfs/dbraw/zinc/79/87/53/532798753.db2.gz LBGRQKUDCHDBIO-UHFFFAOYSA-N 1 0 384.567 2.426 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551140200 532799482 /nfs/dbraw/zinc/79/94/82/532799482.db2.gz ONSDFROJYLSLMN-CVEARBPZSA-N 1 0 384.307 2.395 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000551569520 532800176 /nfs/dbraw/zinc/80/01/76/532800176.db2.gz DLYQXJULCBVMDV-OAHLLOKOSA-N 1 0 388.327 2.356 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000287567841 532800244 /nfs/dbraw/zinc/80/02/44/532800244.db2.gz QLGBIMVUOHFXAP-MDZLAQPJSA-N 1 0 391.331 2.420 20 0 GEADRO COC(=O)c1cn(CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)nn1 ZINC000551574473 532801197 /nfs/dbraw/zinc/80/11/97/532801197.db2.gz JLHQZGZUJLKNMV-LBPRGKRZSA-N 1 0 383.221 2.243 20 0 GEADRO O=C(C[C@@H]1CSCCS1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000270817540 532801411 /nfs/dbraw/zinc/80/14/11/532801411.db2.gz HUOOBXCOJAPGOB-RCCFBDPRSA-N 1 0 380.579 2.224 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000270834943 532802151 /nfs/dbraw/zinc/80/21/51/532802151.db2.gz SWWSCUVTCATNHH-LLVKDONJSA-N 1 0 391.896 2.073 20 0 GEADRO CC[N@H+](Cc1cccc(Br)c1)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000270825543 532802415 /nfs/dbraw/zinc/80/24/15/532802415.db2.gz ZKVVGFHCJAHEIN-ZDUSSCGKSA-N 1 0 396.329 2.383 20 0 GEADRO COC(=O)CC1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000551935028 532802641 /nfs/dbraw/zinc/80/26/41/532802641.db2.gz DBOMVBSUWUCSEW-UHFFFAOYSA-N 1 0 394.269 2.232 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000271172747 532803638 /nfs/dbraw/zinc/80/36/38/532803638.db2.gz XOMQAWJVQJRIGR-PBHICJAKSA-N 1 0 397.313 2.317 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000554042669 532804150 /nfs/dbraw/zinc/80/41/50/532804150.db2.gz XZTNAYDSAZGTEY-GXTWGEPZSA-N 1 0 382.302 2.006 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000329246117 532804379 /nfs/dbraw/zinc/80/43/79/532804379.db2.gz AMGUOXPYXCJYJO-UHFFFAOYSA-N 1 0 394.313 2.266 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccsc1Br ZINC000287654350 532804723 /nfs/dbraw/zinc/80/47/23/532804723.db2.gz QMOMLGAJECJVPK-UHFFFAOYSA-N 1 0 388.331 2.071 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nccn2c(Br)cnc12 ZINC000272233748 532813442 /nfs/dbraw/zinc/81/34/42/532813442.db2.gz WFYBVJINORCOBB-LLVKDONJSA-N 1 0 380.290 2.294 20 0 GEADRO C[C@H](Cc1ccsc1)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000556659917 532811661 /nfs/dbraw/zinc/81/16/61/532811661.db2.gz HIXREPOOUGWHCK-CQSZACIVSA-N 1 0 379.551 2.447 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ncc1Br ZINC000288009435 532814767 /nfs/dbraw/zinc/81/47/67/532814767.db2.gz HEOVODCFCRULQH-OLZOCXBDSA-N 1 0 395.301 2.176 20 0 GEADRO Cn1cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c(-c2ccc(Cl)s2)n1 ZINC000413807881 532815138 /nfs/dbraw/zinc/81/51/38/532815138.db2.gz HCQFSSBTXNESEG-LBPRGKRZSA-N 1 0 382.917 2.379 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1Br ZINC000272395986 532815350 /nfs/dbraw/zinc/81/53/50/532815350.db2.gz YQOQUPWRGUBBPA-IUODEOHRSA-N 1 0 380.286 2.249 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nccn2c(Br)cnc12 ZINC000272233750 532813684 /nfs/dbraw/zinc/81/36/84/532813684.db2.gz WFYBVJINORCOBB-NSHDSACASA-N 1 0 380.290 2.294 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000272369828 532814661 /nfs/dbraw/zinc/81/46/61/532814661.db2.gz PFVMBAIZMTZQOC-UHFFFAOYSA-N 1 0 391.331 2.416 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)c1ccc(C(F)F)cc1)N1CC[NH+](C)CC1 ZINC000288112994 532817808 /nfs/dbraw/zinc/81/78/08/532817808.db2.gz LQADKCWGRYMORI-MRXNPFEDSA-N 1 0 375.485 2.175 20 0 GEADRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000330187612 532815825 /nfs/dbraw/zinc/81/58/25/532815825.db2.gz TXQDEUVKNLCAHZ-CYBMUJFWSA-N 1 0 384.502 2.128 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000272509008 532816495 /nfs/dbraw/zinc/81/64/95/532816495.db2.gz MJIMJILXQRCOII-GFCCVEGCSA-N 1 0 388.917 2.477 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000414061633 532818471 /nfs/dbraw/zinc/81/84/71/532818471.db2.gz CBQVBCMEGJMTPI-ZDUSSCGKSA-N 1 0 399.310 2.063 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000414063987 532818533 /nfs/dbraw/zinc/81/85/33/532818533.db2.gz DIFNJDPIKCYWJT-LLVKDONJSA-N 1 0 382.233 2.367 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCOCC1CCOCC1 ZINC000414078651 532818705 /nfs/dbraw/zinc/81/87/05/532818705.db2.gz BJHFYYNPCGDRJM-AWEZNQCLSA-N 1 0 387.318 2.422 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000272860968 532818771 /nfs/dbraw/zinc/81/87/71/532818771.db2.gz QLAFZDPZTSGPSL-OCCSQVGLSA-N 1 0 384.885 2.078 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000414082902 532818929 /nfs/dbraw/zinc/81/89/29/532818929.db2.gz WNNSMQVVGADZDK-DOMZBBRYSA-N 1 0 399.260 2.168 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000414134829 532818978 /nfs/dbraw/zinc/81/89/78/532818978.db2.gz HMPXBVHTWFBQAJ-WBMJQRKESA-N 1 0 383.261 2.332 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000288155152 532819199 /nfs/dbraw/zinc/81/91/99/532819199.db2.gz PQTVBSWVHHAJTJ-VHSXEESVSA-N 1 0 376.404 2.186 20 0 GEADRO C[C@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000272932249 532819510 /nfs/dbraw/zinc/81/95/10/532819510.db2.gz LFLXRGHMCDPYBW-BLLLJJGKSA-N 1 0 382.302 2.432 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000288182356 532820033 /nfs/dbraw/zinc/82/00/33/532820033.db2.gz XIBCUAOYOHZXPV-SNVBAGLBSA-N 1 0 377.819 2.379 20 0 GEADRO COCCNC(=O)C1([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000414217325 532820586 /nfs/dbraw/zinc/82/05/86/532820586.db2.gz YEKIKWUYJZLNBK-GFCCVEGCSA-N 1 0 398.301 2.051 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000330516532 532820887 /nfs/dbraw/zinc/82/08/87/532820887.db2.gz WPKMICCNBXPKSQ-CYBMUJFWSA-N 1 0 391.331 2.147 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)s1 ZINC000414255018 532821317 /nfs/dbraw/zinc/82/13/17/532821317.db2.gz BYCKBOQWPBJDPL-KRWDZBQOSA-N 1 0 380.535 2.315 20 0 GEADRO COc1ccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1OC ZINC000414244776 532821337 /nfs/dbraw/zinc/82/13/37/532821337.db2.gz QNBSNJZOFKZFSC-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414351296 532821626 /nfs/dbraw/zinc/82/16/26/532821626.db2.gz NGKZASJDYBODAT-CYBMUJFWSA-N 1 0 390.347 2.061 20 0 GEADRO CO[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000414359126 532822240 /nfs/dbraw/zinc/82/22/40/532822240.db2.gz DFIJZTDDIVPUJU-ZDUSSCGKSA-N 1 0 379.320 2.247 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)C1 ZINC000330610871 532822592 /nfs/dbraw/zinc/82/25/92/532822592.db2.gz PEFUYUQOMYDDIM-OCCSQVGLSA-N 1 0 389.315 2.333 20 0 GEADRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414370517 532823165 /nfs/dbraw/zinc/82/31/65/532823165.db2.gz WQKJRAOJTZBGTM-AAEUAGOBSA-N 1 0 377.304 2.001 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnc(NC(C)=O)s2)C1 ZINC000330661355 532824341 /nfs/dbraw/zinc/82/43/41/532824341.db2.gz CDCHVCAYZPAEQN-CYBMUJFWSA-N 1 0 388.559 2.280 20 0 GEADRO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(F)c1 ZINC000414400386 532824918 /nfs/dbraw/zinc/82/49/18/532824918.db2.gz XBOKNVYITRRDJN-UHFFFAOYSA-N 1 0 386.470 2.092 20 0 GEADRO CC(C)SCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000288354453 532825265 /nfs/dbraw/zinc/82/52/65/532825265.db2.gz VXFFDKCLMQAGFJ-UHFFFAOYSA-N 1 0 387.933 2.477 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@@H](C)C[NH+](C)C)CC2=O)ccc1Br ZINC000330687189 532825522 /nfs/dbraw/zinc/82/55/22/532825522.db2.gz VZQCGPKLGSOEGX-QWHCGFSZSA-N 1 0 382.302 2.177 20 0 GEADRO COC(=O)C(C)(C)CS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000288370801 532825868 /nfs/dbraw/zinc/82/58/68/532825868.db2.gz OATAZLFHWXKALZ-UHFFFAOYSA-N 1 0 388.555 2.079 20 0 GEADRO CC(C)NS(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000330730404 532826251 /nfs/dbraw/zinc/82/62/51/532826251.db2.gz PKYBUTXGMVDTEG-UHFFFAOYSA-N 1 0 375.922 2.016 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)N(C)CCn2cc(Br)cn2)CC1 ZINC000288417386 532826532 /nfs/dbraw/zinc/82/65/32/532826532.db2.gz CJDVVGXAYULLNH-UHFFFAOYSA-N 1 0 386.338 2.407 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1Br ZINC000414384963 532823849 /nfs/dbraw/zinc/82/38/49/532823849.db2.gz WCXYGFCDRXEFMN-IACUBPJLSA-N 1 0 389.315 2.144 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1Br ZINC000288304319 532824053 /nfs/dbraw/zinc/82/40/53/532824053.db2.gz WLRLRMXTSFOVFQ-JSGCOSHPSA-N 1 0 395.301 2.176 20 0 GEADRO COC(C[N@H+](CCCO)C[C@H](O)COc1ccc(Cl)cc1Cl)OC ZINC000273584192 532827047 /nfs/dbraw/zinc/82/70/47/532827047.db2.gz IADSURDCXRGLLQ-ZDUSSCGKSA-N 1 0 382.284 2.036 20 0 GEADRO C[C@@H](NC(=O)Nc1ccncc1I)C1=CC[N@H+](C)CC1 ZINC000273687498 532830849 /nfs/dbraw/zinc/83/08/49/532830849.db2.gz GQUJCUWWRGVFSK-SNVBAGLBSA-N 1 0 386.237 2.458 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000414462691 532828989 /nfs/dbraw/zinc/82/89/89/532828989.db2.gz MOMDWCQATHNZBG-UHFFFAOYSA-N 1 0 391.331 2.481 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000330889667 532829353 /nfs/dbraw/zinc/82/93/53/532829353.db2.gz IZAFCHDDDJJOMN-GFCCVEGCSA-N 1 0 376.320 2.243 20 0 GEADRO CCSCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000273715319 532832225 /nfs/dbraw/zinc/83/22/25/532832225.db2.gz LAKHCVWGWFZPHT-UHFFFAOYSA-N 1 0 388.555 2.200 20 0 GEADRO C[C@@]1(CO)CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000331173834 532834636 /nfs/dbraw/zinc/83/46/36/532834636.db2.gz PCJYEJDSGWQLAO-CABCVRRESA-N 1 0 376.316 2.364 20 0 GEADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(Br)o2)c1 ZINC000414729493 532834646 /nfs/dbraw/zinc/83/46/46/532834646.db2.gz QLNVRCNBNHGHCJ-UHFFFAOYSA-N 1 0 380.242 2.359 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1Br ZINC000331163162 532834658 /nfs/dbraw/zinc/83/46/58/532834658.db2.gz FWULRTCOCWNQBS-KGLIPLIRSA-N 1 0 391.331 2.278 20 0 GEADRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000331140757 532833992 /nfs/dbraw/zinc/83/39/92/532833992.db2.gz FFPXCHBZSMBOEF-HIFRSBDPSA-N 1 0 388.249 2.370 20 0 GEADRO CCOc1c(Br)cc(Br)cc1CN(CC[NH3+])CCO ZINC000414921047 532836102 /nfs/dbraw/zinc/83/61/02/532836102.db2.gz DBACGPSFJJEVBC-UHFFFAOYSA-N 1 0 396.123 2.363 20 0 GEADRO COc1cc(CN[C@H]2C[NH2+]CC[C@H]2C)cc(I)c1OC ZINC000414928666 532836195 /nfs/dbraw/zinc/83/61/95/532836195.db2.gz NDPFPIQFZAOBLB-MFKMUULPSA-N 1 0 390.265 2.396 20 0 GEADRO COC[C@@]1(CNCc2ncc(Br)cc2Br)CCC[NH2+]1 ZINC000414941695 532836244 /nfs/dbraw/zinc/83/62/44/532836244.db2.gz AYICBOUIGUTBIH-ZDUSSCGKSA-N 1 0 393.123 2.465 20 0 GEADRO Fc1ccc(I)c(F)c1CNC[C@@H]1C[NH2+]CCCO1 ZINC000415033166 532836957 /nfs/dbraw/zinc/83/69/57/532836957.db2.gz GQEMRCLKZBCPIV-VIFPVBQESA-N 1 0 382.192 2.038 20 0 GEADRO COc1ccc(I)c(NC(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000415071881 532837111 /nfs/dbraw/zinc/83/71/11/532837111.db2.gz LFCCFGCKRTVKBV-NSHDSACASA-N 1 0 377.226 2.405 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000273912920 532837345 /nfs/dbraw/zinc/83/73/45/532837345.db2.gz YCDOGEYSJXIAIU-JTQLQIEISA-N 1 0 382.299 2.305 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(OC)ccc1I ZINC000415080202 532837480 /nfs/dbraw/zinc/83/74/80/532837480.db2.gz YHPCMUDNODPNDG-SECBINFHSA-N 1 0 377.226 2.277 20 0 GEADRO COc1ccc(I)c(NC(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000415078347 532837502 /nfs/dbraw/zinc/83/75/02/532837502.db2.gz VKNHRDHKNWVRIQ-SECBINFHSA-N 1 0 375.210 2.173 20 0 GEADRO [NH3+]CCN(CCO)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000415118976 532838018 /nfs/dbraw/zinc/83/80/18/532838018.db2.gz KGAMSDGUVPWLBE-UHFFFAOYSA-N 1 0 395.257 2.421 20 0 GEADRO O=C1N[C@H]2CN(Cc3ccc(Br)s3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415138743 532838451 /nfs/dbraw/zinc/83/84/51/532838451.db2.gz KNRIPLHMZUDBJP-KBPBESRZSA-N 1 0 399.358 2.231 20 0 GEADRO O=C1N[C@@H]2CN(Cc3csc(Br)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134823 532838522 /nfs/dbraw/zinc/83/85/22/532838522.db2.gz FBXUCVZOHZIEHG-KGLIPLIRSA-N 1 0 399.358 2.231 20 0 GEADRO CN(C(=O)Nc1cc(Br)cnc1OCC(F)(F)F)C1C[NH2+]C1 ZINC000415169821 532838747 /nfs/dbraw/zinc/83/87/47/532838747.db2.gz KEWPJGLHBUALKV-UHFFFAOYSA-N 1 0 383.168 2.221 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]1 ZINC000415128343 532838910 /nfs/dbraw/zinc/83/89/10/532838910.db2.gz XIMXFFXBSCMUDJ-SSDOTTSWSA-N 1 0 381.164 2.395 20 0 GEADRO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cc(Br)cn(C)c2=O)cc1 ZINC000415251773 532839729 /nfs/dbraw/zinc/83/97/29/532839729.db2.gz JHJBJXRXTFXLEZ-SNVBAGLBSA-N 1 0 379.258 2.489 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000331441382 532839791 /nfs/dbraw/zinc/83/97/91/532839791.db2.gz XPPPKYIMXREIRW-ZDUSSCGKSA-N 1 0 395.301 2.148 20 0 GEADRO C[N@H+](CCNC(=O)c1nc2ccc(Br)cn2n1)C1CCCCC1 ZINC000331447917 532839878 /nfs/dbraw/zinc/83/98/78/532839878.db2.gz SOFJBENTPSSZCQ-UHFFFAOYSA-N 1 0 380.290 2.486 20 0 GEADRO O=C(Nc1ccc(F)cc1I)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415245912 532840107 /nfs/dbraw/zinc/84/01/07/532840107.db2.gz BKZABUAGENVJJY-DTORHVGOSA-N 1 0 375.185 2.113 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415279584 532840260 /nfs/dbraw/zinc/84/02/60/532840260.db2.gz HOSMGLVPVRREAC-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415282145 532840440 /nfs/dbraw/zinc/84/04/40/532840440.db2.gz MIHKFYNJORNPOO-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000003957968 204022761 /nfs/dbraw/zinc/02/27/61/204022761.db2.gz KXRLMISUAQPCFW-QGZVFWFLSA-N 1 0 379.526 2.138 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415291800 532840793 /nfs/dbraw/zinc/84/07/93/532840793.db2.gz APKCADFAOBLQRV-SSDOTTSWSA-N 1 0 378.629 2.000 20 0 GEADRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000008600760 204280909 /nfs/dbraw/zinc/28/09/09/204280909.db2.gz CVPRBVOMZWOOEB-UHFFFAOYSA-N 1 0 385.489 2.281 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415298320 532841011 /nfs/dbraw/zinc/84/10/11/532841011.db2.gz GMRWMXYEGXOUDQ-LLVKDONJSA-N 1 0 375.416 2.456 20 0 GEADRO O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415312635 532841320 /nfs/dbraw/zinc/84/13/20/532841320.db2.gz GJKXOONNFXTJCF-GFCCVEGCSA-N 1 0 378.885 2.194 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)C1 ZINC000331551899 532841378 /nfs/dbraw/zinc/84/13/78/532841378.db2.gz RBMFWCNCXAQUBS-CRAIPNDOSA-N 1 0 396.329 2.438 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c(C)c2)n1 ZINC000415320726 532841406 /nfs/dbraw/zinc/84/14/06/532841406.db2.gz CBSGDYCGTHTVJS-LBPRGKRZSA-N 1 0 376.507 2.328 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000331542916 532841407 /nfs/dbraw/zinc/84/14/07/532841407.db2.gz QRTKGPQTIKBZGM-YGRLFVJLSA-N 1 0 389.315 2.219 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(C)ccc2SCC(F)(F)F)C1 ZINC000415307187 532841418 /nfs/dbraw/zinc/84/14/18/532841418.db2.gz XOGHLFBWMCEDOU-NSHDSACASA-N 1 0 375.416 2.408 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415329068 532841743 /nfs/dbraw/zinc/84/17/43/532841743.db2.gz CWVZFCZQPJDNLF-ZETCQYMHSA-N 1 0 378.629 2.000 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000040146755 205058311 /nfs/dbraw/zinc/05/83/11/205058311.db2.gz IUJYPGNBOWFSTM-IRXDYDNUSA-N 1 0 395.569 2.425 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000415342024 532841888 /nfs/dbraw/zinc/84/18/88/532841888.db2.gz IEUSFSOQHCTVNE-LLVKDONJSA-N 1 0 375.416 2.408 20 0 GEADRO CCOC(=O)c1c(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)sc2c1CCSC2 ZINC000415334668 532841909 /nfs/dbraw/zinc/84/19/09/532841909.db2.gz KMSSJAKAIKHMMF-PHIMTYICSA-N 1 0 381.523 2.397 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331667359 532842081 /nfs/dbraw/zinc/84/20/81/532842081.db2.gz YKSJIARIVPEWIR-INIZCTEOSA-N 1 0 384.249 2.129 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000415352104 532842266 /nfs/dbraw/zinc/84/22/66/532842266.db2.gz OZHOIERNPQALSP-IUCAKERBSA-N 1 0 390.228 2.170 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415342118 532842319 /nfs/dbraw/zinc/84/23/19/532842319.db2.gz ZXEYGBYRDAZRPL-LURJTMIESA-N 1 0 381.057 2.173 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(F)c(Br)cc1F ZINC000415345636 532842368 /nfs/dbraw/zinc/84/23/68/532842368.db2.gz AZFGIELOZLWKGC-UHFFFAOYSA-N 1 0 377.233 2.144 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000415360637 532842592 /nfs/dbraw/zinc/84/25/92/532842592.db2.gz SUELPTIGLICTOV-UHFFFAOYSA-N 1 0 381.889 2.127 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415361758 532842574 /nfs/dbraw/zinc/84/25/74/532842574.db2.gz OEOMBSZJOMXAAI-UHFFFAOYSA-N 1 0 384.267 2.070 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000331697970 532842653 /nfs/dbraw/zinc/84/26/53/532842653.db2.gz ZQSVFUXFRFBANX-PHIMTYICSA-N 1 0 377.436 2.078 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000415359951 532842673 /nfs/dbraw/zinc/84/26/73/532842673.db2.gz SBFVBBIDIHZVEG-IUCAKERBSA-N 1 0 390.228 2.170 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415355312 532842691 /nfs/dbraw/zinc/84/26/91/532842691.db2.gz GEURLUNBDYSQDZ-NSHDSACASA-N 1 0 391.269 2.146 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415359542 532842718 /nfs/dbraw/zinc/84/27/18/532842718.db2.gz YPUDRXYSVVHKJS-MNOVXSKESA-N 1 0 386.265 2.339 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415391072 532843501 /nfs/dbraw/zinc/84/35/01/532843501.db2.gz HFVNZHBSPPYCKD-NSHDSACASA-N 1 0 391.269 2.004 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)n1 ZINC000415384667 532843688 /nfs/dbraw/zinc/84/36/88/532843688.db2.gz VERGGPDNPSDUSM-CYBMUJFWSA-N 1 0 376.507 2.409 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(F)cc(F)c1Br)[C@H]1CC[NH2+]C1 ZINC000415396337 532843793 /nfs/dbraw/zinc/84/37/93/532843793.db2.gz UHYLMVBJQDAVHM-JTQLQIEISA-N 1 0 390.228 2.266 20 0 GEADRO COC(=O)c1cc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1Br ZINC000415399140 532843830 /nfs/dbraw/zinc/84/38/30/532843830.db2.gz DBRNLGNHISFRHW-MNOVXSKESA-N 1 0 382.258 2.309 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(F)c(Br)cc1C)[C@H]1CC[NH2+]C1 ZINC000415393135 532843953 /nfs/dbraw/zinc/84/39/53/532843953.db2.gz OOABNARMKAGURE-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415400276 532843961 /nfs/dbraw/zinc/84/39/61/532843961.db2.gz VUVVANQSESRUPV-MRVPVSSYSA-N 1 0 392.656 2.248 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000415407537 532844444 /nfs/dbraw/zinc/84/44/44/532844444.db2.gz YHZHUFMTKMZQJE-UHFFFAOYSA-N 1 0 388.693 2.499 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415408316 532844529 /nfs/dbraw/zinc/84/45/29/532844529.db2.gz GYFYRWLCZNCHTB-NSHDSACASA-N 1 0 386.265 2.341 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415409365 532844536 /nfs/dbraw/zinc/84/45/36/532844536.db2.gz TUGBAQGPZHVDAM-SNVBAGLBSA-N 1 0 388.693 2.465 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415431715 532844674 /nfs/dbraw/zinc/84/46/74/532844674.db2.gz SQTKNGOWVMCUAR-SECBINFHSA-N 1 0 390.267 2.208 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415425335 532844800 /nfs/dbraw/zinc/84/48/00/532844800.db2.gz JVVLVZYHGRDANF-JTQLQIEISA-N 1 0 383.905 2.230 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)cc1Br ZINC000415425037 532845045 /nfs/dbraw/zinc/84/50/45/532845045.db2.gz JJBXOEZODDRAIW-GFCCVEGCSA-N 1 0 386.290 2.276 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1Br ZINC000415426744 532845093 /nfs/dbraw/zinc/84/50/93/532845093.db2.gz AVVDUHQGSMXNBG-GHMZBOCLSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[C@@H]1[NH3+] ZINC000415432476 532845252 /nfs/dbraw/zinc/84/52/52/532845252.db2.gz HECGOXKRIBRZKE-WPRPVWTQSA-N 1 0 379.766 2.373 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)CC[N@@H+]1C ZINC000331828520 532845242 /nfs/dbraw/zinc/84/52/42/532845242.db2.gz ROQHQDCRNLUVIH-GXFFZTMASA-N 1 0 389.315 2.145 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415431959 532845379 /nfs/dbraw/zinc/84/53/79/532845379.db2.gz FHVLGADLYHDAHN-LBPRGKRZSA-N 1 0 386.290 2.274 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[C@H]1[NH3+] ZINC000415432468 532845417 /nfs/dbraw/zinc/84/54/17/532845417.db2.gz HECGOXKRIBRZKE-PSASIEDQSA-N 1 0 379.766 2.373 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[NH2+]1 ZINC000415440144 532845448 /nfs/dbraw/zinc/84/54/48/532845448.db2.gz RJZNYMRZYRHSGE-ZETCQYMHSA-N 1 0 378.629 2.000 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[C@@H]1[NH3+] ZINC000415434592 532845632 /nfs/dbraw/zinc/84/56/32/532845632.db2.gz IPPBDWXUNZJFMF-MFKMUULPSA-N 1 0 391.269 2.132 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415435637 532845652 /nfs/dbraw/zinc/84/56/52/532845652.db2.gz JLLPBFZFJVNGOY-QWRGUYRKSA-N 1 0 386.265 2.421 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1Br ZINC000289051884 532845733 /nfs/dbraw/zinc/84/57/33/532845733.db2.gz NPLPXSHPFPZOJZ-YPMHNXCESA-N 1 0 395.301 2.176 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000289065419 532846265 /nfs/dbraw/zinc/84/62/65/532846265.db2.gz MLWDNTQALLVPTP-WCQYABFASA-N 1 0 383.290 2.238 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000415452141 532846286 /nfs/dbraw/zinc/84/62/86/532846286.db2.gz LSZFRKBRXMCUPF-CYBMUJFWSA-N 1 0 384.274 2.028 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415446228 532846001 /nfs/dbraw/zinc/84/60/01/532846001.db2.gz SXHKBCODMAQASM-NWDGAFQWSA-N 1 0 398.301 2.290 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000415455687 532846514 /nfs/dbraw/zinc/84/65/14/532846514.db2.gz WIFCXQGGWGVLNX-NXEZZACHSA-N 1 0 375.803 2.466 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000415459440 532846594 /nfs/dbraw/zinc/84/65/94/532846594.db2.gz ZKZUDEWYHFEQKQ-UWVGGRQHSA-N 1 0 375.803 2.466 20 0 GEADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000415456806 532846649 /nfs/dbraw/zinc/84/66/49/532846649.db2.gz WIQCGHNPEBVXGG-GFCCVEGCSA-N 1 0 399.314 2.280 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000415480822 532846918 /nfs/dbraw/zinc/84/69/18/532846918.db2.gz UKRGQMWZKKQWBS-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415487741 532847443 /nfs/dbraw/zinc/84/74/43/532847443.db2.gz SBIIJYOALCHPSC-RYUDHWBXSA-N 1 0 379.262 2.421 20 0 GEADRO C[C@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C[C@@H]1C[NH3+] ZINC000415486805 532847503 /nfs/dbraw/zinc/84/75/03/532847503.db2.gz QWRMKFZSKXMIFK-RYUDHWBXSA-N 1 0 393.289 2.478 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1Br ZINC000331987857 532847507 /nfs/dbraw/zinc/84/75/07/532847507.db2.gz DLLHRFPAXVCZPH-JSGCOSHPSA-N 1 0 380.286 2.249 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000415485990 532847510 /nfs/dbraw/zinc/84/75/10/532847510.db2.gz DXWDGXGSFSRRAW-CQSZACIVSA-N 1 0 398.301 2.385 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCc2cccs2)c1 ZINC000274308880 532847577 /nfs/dbraw/zinc/84/75/77/532847577.db2.gz UPXBLEUKFUAJSY-UHFFFAOYSA-N 1 0 381.523 2.159 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415482827 532847062 /nfs/dbraw/zinc/84/70/62/532847062.db2.gz FRTDDKAUYNWQLZ-UHFFFAOYSA-N 1 0 376.682 2.484 20 0 GEADRO C[NH2+]CC1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000415479267 532847159 /nfs/dbraw/zinc/84/71/59/532847159.db2.gz HLAZCGDKILGBCM-UHFFFAOYSA-N 1 0 393.289 2.493 20 0 GEADRO CC[NH+]1C[C@@H](C)N(Cc2nnnn2-c2ccccc2Br)[C@H](C)C1 ZINC000331985180 532847698 /nfs/dbraw/zinc/84/76/98/532847698.db2.gz TVMLDAXCSJYVSI-CHWSQXEVSA-N 1 0 379.306 2.339 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000415494166 532847283 /nfs/dbraw/zinc/84/72/83/532847283.db2.gz DWSMIKRZJMREAP-CQSZACIVSA-N 1 0 386.290 2.228 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415501552 532847767 /nfs/dbraw/zinc/84/77/67/532847767.db2.gz RRUSTGVZFIHFKA-VIFPVBQESA-N 1 0 378.217 2.300 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415500433 532847792 /nfs/dbraw/zinc/84/77/92/532847792.db2.gz MYERAEAWLMSJBX-QMMMGPOBSA-N 1 0 388.266 2.966 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415502721 532847910 /nfs/dbraw/zinc/84/79/10/532847910.db2.gz NQOHJZOZEKQTPY-LBPRGKRZSA-N 1 0 392.244 2.498 20 0 GEADRO Cc1nc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000415502956 532848011 /nfs/dbraw/zinc/84/80/11/532848011.db2.gz VVCFJCYYRYBANX-GFCCVEGCSA-N 1 0 383.290 2.372 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)cc1Br ZINC000415510737 532848233 /nfs/dbraw/zinc/84/82/33/532848233.db2.gz ZJEFNJLJOJKZCB-UHFFFAOYSA-N 1 0 398.301 2.052 20 0 GEADRO O=C(CCCc1ccc(Br)s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289151563 532848269 /nfs/dbraw/zinc/84/82/69/532848269.db2.gz GJFDGFHVHOKXMX-ZDUSSCGKSA-N 1 0 386.359 2.339 20 0 GEADRO CCN(CCO)CC[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000274363587 532848323 /nfs/dbraw/zinc/84/83/23/532848323.db2.gz DVZXQPMWCQNIQO-UHFFFAOYSA-N 1 0 397.260 2.463 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415505393 532848371 /nfs/dbraw/zinc/84/83/71/532848371.db2.gz YQEGSTQTAAUCOC-GFCCVEGCSA-N 1 0 391.269 2.146 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415521909 532849018 /nfs/dbraw/zinc/84/90/18/532849018.db2.gz LUYHMTBPPUBVMI-QWRGUYRKSA-N 1 0 391.269 2.132 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415522859 532849025 /nfs/dbraw/zinc/84/90/25/532849025.db2.gz OZBPANPJLKHAAE-LBPRGKRZSA-N 1 0 384.267 2.348 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415529463 532848784 /nfs/dbraw/zinc/84/87/84/532848784.db2.gz STIXMZIAUFBTAI-MNOVXSKESA-N 1 0 391.269 2.132 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000289154105 532848895 /nfs/dbraw/zinc/84/88/95/532848895.db2.gz RVMQHNXWEWVDDS-AAEUAGOBSA-N 1 0 395.301 2.176 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000415547480 532849285 /nfs/dbraw/zinc/84/92/85/532849285.db2.gz GDKRZWJWHHPPKG-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12)C1CC1 ZINC000415542138 532849295 /nfs/dbraw/zinc/84/92/95/532849295.db2.gz TYWOZJOQBFBTST-AWEZNQCLSA-N 1 0 376.254 2.394 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415533546 532849311 /nfs/dbraw/zinc/84/93/11/532849311.db2.gz BENLVDDUAKHIBS-DTWKUNHWSA-N 1 0 379.766 2.373 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415535375 532849472 /nfs/dbraw/zinc/84/94/72/532849472.db2.gz DGOHOFMKYUNAOV-UWVGGRQHSA-N 1 0 375.803 2.118 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12)C1CC1 ZINC000415542140 532849543 /nfs/dbraw/zinc/84/95/43/532849543.db2.gz TYWOZJOQBFBTST-CQSZACIVSA-N 1 0 376.254 2.394 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415551822 532849766 /nfs/dbraw/zinc/84/97/66/532849766.db2.gz MOJASIANWBKMHJ-UHFFFAOYSA-N 1 0 384.249 2.129 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000415556244 532849779 /nfs/dbraw/zinc/84/97/79/532849779.db2.gz RJENVRYPTJAVJW-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)[C@@H](C)C[NH2+]1 ZINC000415549118 532849957 /nfs/dbraw/zinc/84/99/57/532849957.db2.gz AZRNMFLLVNJQGZ-ZJUUUORDSA-N 1 0 375.416 2.330 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)[C@@H](C)C[NH2+]1 ZINC000415564802 532850460 /nfs/dbraw/zinc/85/04/60/532850460.db2.gz OIJKJVAANFKIMH-UWVGGRQHSA-N 1 0 375.803 2.131 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415569547 532850371 /nfs/dbraw/zinc/85/03/71/532850371.db2.gz RPNKBXDRATZMQW-JGVFFNPUSA-N 1 0 392.656 2.389 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415561678 532850416 /nfs/dbraw/zinc/85/04/16/532850416.db2.gz GLHNXATULNJLOJ-DTWKUNHWSA-N 1 0 379.766 2.373 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000332250468 532850822 /nfs/dbraw/zinc/85/08/22/532850822.db2.gz BQQARZQFPCLKEL-NHYWBVRUSA-N 1 0 382.302 2.442 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CCC[NH2+]C1 ZINC000415571980 532850881 /nfs/dbraw/zinc/85/08/81/532850881.db2.gz AWZDMCKFLHQUTN-GOSISDBHSA-N 1 0 394.313 2.382 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415574744 532850905 /nfs/dbraw/zinc/85/09/05/532850905.db2.gz WBZNGZBFLDXIEB-UHFFFAOYSA-N 1 0 382.180 2.262 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000332260159 532850939 /nfs/dbraw/zinc/85/09/39/532850939.db2.gz NOKAEMGWJWFBAN-CYBMUJFWSA-N 1 0 392.290 2.105 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000415619263 532851364 /nfs/dbraw/zinc/85/13/64/532851364.db2.gz SKJFOHYGTRFJKI-ZDUSSCGKSA-N 1 0 382.789 2.287 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc(Br)c1F ZINC000415608044 532851208 /nfs/dbraw/zinc/85/12/08/532851208.db2.gz LMBRQHURVKJZQR-UFBFGSQYSA-N 1 0 388.237 2.494 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+][C@H](C)[C@@H]3C)nc12 ZINC000332281520 532851538 /nfs/dbraw/zinc/85/15/38/532851538.db2.gz IAVGDWJHZQOJHA-NEPJUHHUSA-N 1 0 380.290 2.297 20 0 GEADRO Cc1c(C(=O)NCC2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000332272587 532851541 /nfs/dbraw/zinc/85/15/41/532851541.db2.gz HVAIZXSDAMZMFA-UHFFFAOYSA-N 1 0 392.301 2.410 20 0 GEADRO CC[NH2+]CCNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415642397 532851574 /nfs/dbraw/zinc/85/15/74/532851574.db2.gz VMJJOUQLAPAFGN-UHFFFAOYSA-N 1 0 383.290 2.416 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000274543672 532851677 /nfs/dbraw/zinc/85/16/77/532851677.db2.gz WIZAIKJWZUJLHK-CYBMUJFWSA-N 1 0 387.933 2.193 20 0 GEADRO O=C(Cc1cccc(I)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289264346 532851395 /nfs/dbraw/zinc/85/13/95/532851395.db2.gz OQBBRKRPJQUKCP-MRXNPFEDSA-N 1 0 384.261 2.436 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332283574 532851427 /nfs/dbraw/zinc/85/14/27/532851427.db2.gz IKFAMKFOJRNXSB-NXEZZACHSA-N 1 0 386.677 2.109 20 0 GEADRO COC(=O)c1cc(NC(=O)NCC2=CC[NH2+]CC2)cc(Br)c1F ZINC000415607976 532851475 /nfs/dbraw/zinc/85/14/75/532851475.db2.gz LALPAOKJJPZQQH-UHFFFAOYSA-N 1 0 386.221 2.416 20 0 GEADRO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCCC[C@@H](SC)C2)ccc1C ZINC000332281034 532851495 /nfs/dbraw/zinc/85/14/95/532851495.db2.gz DPWSNKYJBHZFKV-OAHLLOKOSA-N 1 0 385.555 2.059 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415645401 532851978 /nfs/dbraw/zinc/85/19/78/532851978.db2.gz LPGQFXAYCSWLCB-RYUDHWBXSA-N 1 0 391.269 2.322 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415656935 532852208 /nfs/dbraw/zinc/85/22/08/532852208.db2.gz POYSYDNHUIXWLW-RDDDGLTNSA-N 1 0 392.656 2.294 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[NH2+]1 ZINC000415661917 532852581 /nfs/dbraw/zinc/85/25/81/532852581.db2.gz PKVZGHHSTMVCAY-YUMQZZPRSA-N 1 0 392.656 2.437 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC[NH2+]1 ZINC000415665703 532852742 /nfs/dbraw/zinc/85/27/42/532852742.db2.gz VBRRVOCHDREVHE-MWLCHTKSSA-N 1 0 375.803 2.179 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000415670743 532853012 /nfs/dbraw/zinc/85/30/12/532853012.db2.gz FBJCCQZOCOIJGE-AWEZNQCLSA-N 1 0 398.301 2.291 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(Br)c(F)c3)CC2)C1=O ZINC000332354853 532852865 /nfs/dbraw/zinc/85/28/65/532852865.db2.gz ZKRSNQQOTGXWSZ-OAHLLOKOSA-N 1 0 398.276 2.013 20 0 GEADRO O=C(CCSc1ccc(Br)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289365964 532853415 /nfs/dbraw/zinc/85/34/15/532853415.db2.gz ZRVXPZFQFUYQKZ-HNNXBMFYSA-N 1 0 398.370 2.437 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000415679184 532853553 /nfs/dbraw/zinc/85/35/53/532853553.db2.gz RPTKBFVHPKUMDO-CYBMUJFWSA-N 1 0 386.265 2.421 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000415680844 532853560 /nfs/dbraw/zinc/85/35/60/532853560.db2.gz VKDOIXFKYBUEJJ-CYBMUJFWSA-N 1 0 386.265 2.421 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1O ZINC000289375073 532853602 /nfs/dbraw/zinc/85/36/02/532853602.db2.gz BQQVTNDMVWONEH-GXTWGEPZSA-N 1 0 398.301 2.189 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)C(F)F ZINC000415694617 532853913 /nfs/dbraw/zinc/85/39/13/532853913.db2.gz VOYQIBMQOFWOHQ-LLVKDONJSA-N 1 0 380.798 2.420 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(F)c(Br)c3)CC2)C1=O ZINC000332383573 532853918 /nfs/dbraw/zinc/85/39/18/532853918.db2.gz HXHPLPKCJWGNHG-OAHLLOKOSA-N 1 0 398.276 2.013 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000332389769 532853971 /nfs/dbraw/zinc/85/39/71/532853971.db2.gz WXRYTRNLHCSMCF-SCRDCRAPSA-N 1 0 380.286 2.282 20 0 GEADRO Cc1csc(-c2cccc(S(=O)(=O)N3CCO[C@@H](C[NH+](C)C)C3)c2)n1 ZINC000332390744 532854237 /nfs/dbraw/zinc/85/42/37/532854237.db2.gz ZIKYITORJNQOHH-HNNXBMFYSA-N 1 0 381.523 2.070 20 0 GEADRO C[C@@H](NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)[C@H](C)[NH3+] ZINC000415711279 532854690 /nfs/dbraw/zinc/85/46/90/532854690.db2.gz SCWBLCVODBQWQJ-JGVFFNPUSA-N 1 0 375.376 2.961 20 0 GEADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415733199 532855015 /nfs/dbraw/zinc/85/50/15/532855015.db2.gz AYBDFVVAMWINPX-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415733200 532855223 /nfs/dbraw/zinc/85/52/23/532855223.db2.gz AYBDFVVAMWINPX-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415741692 532855584 /nfs/dbraw/zinc/85/55/84/532855584.db2.gz INQCNKCMYRKSQR-SMDDNHRTSA-N 1 0 384.249 2.031 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC000415744674 532855594 /nfs/dbraw/zinc/85/55/94/532855594.db2.gz QQVCWJPQFYIINL-SWLSCSKDSA-N 1 0 380.286 2.200 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000415741824 532855612 /nfs/dbraw/zinc/85/56/12/532855612.db2.gz LTIVBNUSWJWVMU-SECBINFHSA-N 1 0 390.267 2.352 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1Br ZINC000415747538 532855622 /nfs/dbraw/zinc/85/56/22/532855622.db2.gz WVRDDUAYSBXRFN-GXTWGEPZSA-N 1 0 380.286 2.200 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000415748218 532855651 /nfs/dbraw/zinc/85/56/51/532855651.db2.gz XYSXNQIBTUYGAA-NSHDSACASA-N 1 0 386.290 2.420 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000332453309 532855785 /nfs/dbraw/zinc/85/57/85/532855785.db2.gz MVOMQEPULTXLKP-MFKMUULPSA-N 1 0 384.274 2.099 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415758875 532855914 /nfs/dbraw/zinc/85/59/14/532855914.db2.gz PISMHPNAYGTCAH-INIZCTEOSA-N 1 0 378.274 2.837 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415760116 532855929 /nfs/dbraw/zinc/85/59/29/532855929.db2.gz LIOJNRKVUHFRTP-ZETCQYMHSA-N 1 0 380.645 2.424 20 0 GEADRO O=C(Nc1cc(Cl)ccc1I)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415751923 532855955 /nfs/dbraw/zinc/85/59/55/532855955.db2.gz CGWQNMMKLRYXHG-VROVMSAKSA-N 1 0 377.613 2.284 20 0 GEADRO CN(C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)[C@@H](C[NH3+])C1CC1 ZINC000415752998 532855956 /nfs/dbraw/zinc/85/59/56/532855956.db2.gz FOXPNQJCAGARSC-AWEZNQCLSA-N 1 0 378.274 2.836 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415763372 532856488 /nfs/dbraw/zinc/85/64/88/532856488.db2.gz XLJQJIYCNOLWOB-NEPJUHHUSA-N 1 0 378.274 2.836 20 0 GEADRO COc1cc(I)ccc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415774892 532856915 /nfs/dbraw/zinc/85/69/15/532856915.db2.gz RHQJGKQBGPRZOZ-SNVBAGLBSA-N 1 0 389.237 2.421 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000332513647 532856980 /nfs/dbraw/zinc/85/69/80/532856980.db2.gz VXFHTGJQIQPNAX-UONOGXRCSA-N 1 0 394.313 2.028 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000415784037 532857261 /nfs/dbraw/zinc/85/72/61/532857261.db2.gz GRWHQRJFGFIGGT-HZNSRWLBSA-N 1 0 384.249 2.159 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000415787923 532857486 /nfs/dbraw/zinc/85/74/86/532857486.db2.gz KNNCIPDYSXPWQJ-UHFFFAOYSA-N 1 0 394.191 2.355 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415780019 532857084 /nfs/dbraw/zinc/85/70/84/532857084.db2.gz HZQZWDIDAISOCG-BQBZGAKWSA-N 1 0 398.179 2.138 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415801359 532857764 /nfs/dbraw/zinc/85/77/64/532857764.db2.gz GKSLJTZWGCMZEW-GFCCVEGCSA-N 1 0 395.301 2.308 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)C(F)F ZINC000415793296 532857932 /nfs/dbraw/zinc/85/79/32/532857932.db2.gz UESFAIRCBFVLQP-SECBINFHSA-N 1 0 385.745 2.021 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000415806870 532858127 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2.469 20 0 GEADRO Brc1ccccc1-n1cc(C[NH2+]CCCO[C@H]2CCOC2)nn1 ZINC000289553268 532858879 /nfs/dbraw/zinc/85/88/79/532858879.db2.gz QIWOJNOYGSTHFR-AWEZNQCLSA-N 1 0 381.274 2.315 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415821777 532858966 /nfs/dbraw/zinc/85/89/66/532858966.db2.gz OCEOMBBAVJWYCM-NEPJUHHUSA-N 1 0 398.276 2.375 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1nc2c(s1)CCCCCC2)C(F)(F)F ZINC000415830440 532859316 /nfs/dbraw/zinc/85/93/16/532859316.db2.gz GMKVQCPZICKIFG-LLVKDONJSA-N 1 0 378.420 2.137 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C[C@@]1(C)C[NH3+] ZINC000415839980 532859623 /nfs/dbraw/zinc/85/96/23/532859623.db2.gz KYFOMANFBKIEMI-ANRSDYALSA-N 1 0 390.228 2.109 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415840856 532859694 /nfs/dbraw/zinc/85/96/94/532859694.db2.gz QBBCPPCIJRTGJN-QWRGUYRKSA-N 1 0 391.269 2.179 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415842292 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20 0 GEADRO CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(S(=O)(=O)NC)s1 ZINC000415950804 532862604 /nfs/dbraw/zinc/86/26/04/532862604.db2.gz IDZSEZOBNIXFTK-UHFFFAOYSA-N 1 0 382.511 2.087 20 0 GEADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415974070 532862727 /nfs/dbraw/zinc/86/27/27/532862727.db2.gz RDMSTGZSTFSRCM-ZJUUUORDSA-N 1 0 381.420 2.449 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(F)(F)F ZINC000415992162 532862486 /nfs/dbraw/zinc/86/24/86/532862486.db2.gz AUHQALTWAPBXJW-NWDGAFQWSA-N 1 0 378.782 2.024 20 0 GEADRO Nc1ncc(Br)cc1CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415977675 532862492 /nfs/dbraw/zinc/86/24/92/532862492.db2.gz SYRIQNLUHZMMEJ-UHFFFAOYSA-N 1 0 392.257 2.230 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000415995710 532862530 /nfs/dbraw/zinc/86/25/30/532862530.db2.gz NXNCVEMUOUUIKH-AWEZNQCLSA-N 1 0 378.826 2.447 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)C(F)(F)F ZINC000416035695 532863418 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GEADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000333147429 532864689 /nfs/dbraw/zinc/86/46/89/532864689.db2.gz KHVDNVUOFKNQBN-OCCSQVGLSA-N 1 0 388.917 2.462 20 0 GEADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289794988 532865115 /nfs/dbraw/zinc/86/51/15/532865115.db2.gz OQDFMKYGDRETJK-STQMWFEESA-N 1 0 375.270 2.316 20 0 GEADRO Cn1cc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc(Br)c1=O ZINC000333159931 532865390 /nfs/dbraw/zinc/86/53/90/532865390.db2.gz LTFJOXLUQUFYMA-LBPRGKRZSA-N 1 0 383.290 2.001 20 0 GEADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333193295 532865863 /nfs/dbraw/zinc/86/58/63/532865863.db2.gz VPWWRVRXOBTLOZ-QWRGUYRKSA-N 1 0 377.436 3.029 20 0 GEADRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000275130305 532866199 /nfs/dbraw/zinc/86/61/99/532866199.db2.gz RSSVRPPOMWYBDK-GXFFZTMASA-N 1 0 395.219 2.483 20 0 GEADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333339742 532867146 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[NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cnc4ccsc4c3)CC2)C1 ZINC000333473832 532868801 /nfs/dbraw/zinc/86/88/01/532868801.db2.gz BDVGEWHNRLZYLA-CZUORRHYSA-N 1 0 381.523 2.203 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000289959693 532868868 /nfs/dbraw/zinc/86/88/68/532868868.db2.gz PPYUFLDVLYOAPJ-UHFFFAOYSA-N 1 0 395.301 2.125 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1([NH+](C)C)CC1 ZINC000416287850 532869444 /nfs/dbraw/zinc/86/94/44/532869444.db2.gz FRHZWTABXDTHHV-OAHLLOKOSA-N 1 0 383.945 2.402 20 0 GEADRO C[C@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)c1cn[nH]c1 ZINC000275250526 532869694 /nfs/dbraw/zinc/86/96/94/532869694.db2.gz YMIUDAZBQFZTKY-LBPRGKRZSA-N 1 0 381.274 2.360 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000333660457 532871462 /nfs/dbraw/zinc/87/14/62/532871462.db2.gz LMNYITIJJIPRFU-GOEBONIOSA-N 1 0 376.881 2.386 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Cl)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333692170 532871860 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O=C(NC[C@H]1C[NH2+]CCCO1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000333894880 532874929 /nfs/dbraw/zinc/87/49/29/532874929.db2.gz YXDTYAJIXFZIAA-CJNGLKHVSA-N 1 0 388.295 2.455 20 0 GEADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000290243344 532875942 /nfs/dbraw/zinc/87/59/42/532875942.db2.gz UWNQJESFGWKAJU-COPLHBTASA-N 1 0 378.416 2.445 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cc(Br)c4c(c3)OCCO4)C[C@H]12 ZINC000333937778 532876098 /nfs/dbraw/zinc/87/60/98/532876098.db2.gz LXIOTJURDSZQGU-MBNYWOFBSA-N 1 0 396.285 2.099 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3cnccc32)C[C@@H]1[NH+]1CCCC1 ZINC000275525023 532877940 /nfs/dbraw/zinc/87/79/40/532877940.db2.gz WHPXLQAPYOIZBQ-DLBZAZTESA-N 1 0 377.535 2.435 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)ncc1Cl ZINC000275548893 532878344 /nfs/dbraw/zinc/87/83/44/532878344.db2.gz GNOXFQSORVGNBC-NSHDSACASA-N 1 0 389.725 2.253 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCc1ccc(I)s1 ZINC000417443675 532879967 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C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2ccc(I)s2)C1 ZINC000417443206 532879917 /nfs/dbraw/zinc/87/99/17/532879917.db2.gz XPNKVMNRDFWIQM-VHSXEESVSA-N 1 0 393.294 2.274 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418921461 532881757 /nfs/dbraw/zinc/88/17/57/532881757.db2.gz CVHAJVUCAXSHSM-HZPDHXFCSA-N 1 0 394.313 2.227 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418921459 532881777 /nfs/dbraw/zinc/88/17/77/532881777.db2.gz CVHAJVUCAXSHSM-CVEARBPZSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000419529441 532882255 /nfs/dbraw/zinc/88/22/55/532882255.db2.gz XTRZPUMSYWXEQF-DOMZBBRYSA-N 1 0 396.329 2.039 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419526916 532882291 /nfs/dbraw/zinc/88/22/91/532882291.db2.gz UFCAVOMBDAFAJA-HNNXBMFYSA-N 1 0 398.345 2.477 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419526918 532882336 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Cc1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1I ZINC000420452403 532883630 /nfs/dbraw/zinc/88/36/30/532883630.db2.gz SIPDKLSJMQDUFM-UHFFFAOYSA-N 1 0 394.278 2.020 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420455715 532883657 /nfs/dbraw/zinc/88/36/57/532883657.db2.gz XQMULZHTLLQTLJ-RNCFNFMXSA-N 1 0 379.707 2.226 20 0 GEADRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)C(F)F ZINC000420456765 532883696 /nfs/dbraw/zinc/88/36/96/532883696.db2.gz GXFGXCIMKORMDK-QMMMGPOBSA-N 1 0 377.638 2.363 20 0 GEADRO CN(C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CCSC1 ZINC000275804111 532883714 /nfs/dbraw/zinc/88/37/14/532883714.db2.gz DFTJELHEHUJHML-OAHLLOKOSA-N 1 0 379.551 2.138 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000420459380 532883764 /nfs/dbraw/zinc/88/37/64/532883764.db2.gz QXLRAEDSQYBVDY-MNOVXSKESA-N 1 0 397.324 2.424 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1I ZINC000420452042 532883848 /nfs/dbraw/zinc/88/38/48/532883848.db2.gz RXSUUEUMGJFXGP-NSHDSACASA-N 1 0 394.278 2.020 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418436361 532880629 /nfs/dbraw/zinc/88/06/29/532880629.db2.gz GRRPNSIZVLHOCX-SMDDNHRTSA-N 1 0 376.270 2.294 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418417973 532880661 /nfs/dbraw/zinc/88/06/61/532880661.db2.gz XCEYIQIMCKVHNR-SWLSCSKDSA-N 1 0 390.297 2.022 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000418427820 532880804 /nfs/dbraw/zinc/88/08/04/532880804.db2.gz PDNONOOGSJLRAI-AWEZNQCLSA-N 1 0 397.317 2.149 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418411380 532880821 /nfs/dbraw/zinc/88/08/21/532880821.db2.gz WXKKWNPMVCQNKO-GFCCVEGCSA-N 1 0 376.320 2.406 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418449717 532880955 /nfs/dbraw/zinc/88/09/55/532880955.db2.gz TTZQODJCQCJSFP-GFCCVEGCSA-N 1 0 378.336 2.388 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000418455291 532881139 /nfs/dbraw/zinc/88/11/39/532881139.db2.gz GVMJUBPRRNSXIH-GJZGRUSLSA-N 1 0 386.265 2.408 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000418463103 532881171 /nfs/dbraw/zinc/88/11/71/532881171.db2.gz KXOTWDDKMYJURD-WFASDCNBSA-N 1 0 397.317 2.149 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)C1CC1 ZINC000418456785 532881197 /nfs/dbraw/zinc/88/11/97/532881197.db2.gz IATUKVMWDBQLAE-INIZCTEOSA-N 1 0 399.308 2.153 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000420866061 532886893 /nfs/dbraw/zinc/88/68/93/532886893.db2.gz WZCZADFLXVALTJ-OAHLLOKOSA-N 1 0 387.933 2.369 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000420891630 532886935 /nfs/dbraw/zinc/88/69/35/532886935.db2.gz BKUDPHUWCIASJL-UHFFFAOYSA-N 1 0 387.933 2.286 20 0 GEADRO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000420940628 532887467 /nfs/dbraw/zinc/88/74/67/532887467.db2.gz MZJVGUXHLPNSFY-RYUDHWBXSA-N 1 0 388.249 2.180 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNCc2nc3ccccn3c2Br)CC1 ZINC000290536848 532883965 /nfs/dbraw/zinc/88/39/65/532883965.db2.gz YKODZONPVKRZTO-UHFFFAOYSA-N 1 0 381.318 2.422 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@H]1CCSC1 ZINC000275845485 532884291 /nfs/dbraw/zinc/88/42/91/532884291.db2.gz KBPWJZJTOJGXPP-ZDUSSCGKSA-N 1 0 385.917 2.183 20 0 GEADRO CO[C@H](CC(C)C)CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000420647579 532884841 /nfs/dbraw/zinc/88/48/41/532884841.db2.gz AWDITQMSATVICG-MRXNPFEDSA-N 1 0 378.604 2.329 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Br ZINC000360020538 532889206 /nfs/dbraw/zinc/88/92/06/532889206.db2.gz MATNMRXDXYPDTP-YVEFUNNKSA-N 1 0 396.285 2.268 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCc2c1cccc2Br ZINC000421169958 532889364 /nfs/dbraw/zinc/88/93/64/532889364.db2.gz DVJZLIXOEUZBMA-OLZOCXBDSA-N 1 0 392.297 2.081 20 0 GEADRO COCCOCCOCC[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000276209097 532891321 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Brc1cccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)c1 ZINC000423086597 532893238 /nfs/dbraw/zinc/89/32/38/532893238.db2.gz MHFAUFQXZVJSGW-JQHSSLGASA-N 1 0 380.330 2.384 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C(C)C)CC1 ZINC000423095970 532893479 /nfs/dbraw/zinc/89/34/79/532893479.db2.gz GPOSQPGYRPLROA-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423084435 532893694 /nfs/dbraw/zinc/89/36/94/532893694.db2.gz HYUUGVWUBNEOMN-CZUORRHYSA-N 1 0 379.302 2.491 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000423076066 532893715 /nfs/dbraw/zinc/89/37/15/532893715.db2.gz QBIPDYWHVIXTRD-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000423101914 532894031 /nfs/dbraw/zinc/89/40/31/532894031.db2.gz DPPHCBUBVLOKSH-YJBOKZPZSA-N 1 0 394.313 2.310 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000276359912 532894426 /nfs/dbraw/zinc/89/44/26/532894426.db2.gz FUCSAZHXTQVVQY-MRVPVSSYSA-N 1 0 378.217 2.122 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424016823 532894582 /nfs/dbraw/zinc/89/45/82/532894582.db2.gz FRFPMNJWKRAQTE-OAHLLOKOSA-N 1 0 393.285 2.133 20 0 GEADRO Cc1ccc(F)c(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1Br ZINC000424017916 532894638 /nfs/dbraw/zinc/89/46/38/532894638.db2.gz PNMKLDVWNOWXFD-LBPRGKRZSA-N 1 0 396.264 2.424 20 0 GEADRO C[NH2+]CCCN(C)C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000424030472 532894807 /nfs/dbraw/zinc/89/48/07/532894807.db2.gz HCFPGHSHCXBXCL-ZDUSSCGKSA-N 1 0 382.302 2.178 20 0 GEADRO COCCOCCOCC[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000276279353 532892871 /nfs/dbraw/zinc/89/28/71/532892871.db2.gz RKIRQRJZHZOANY-UHFFFAOYSA-N 1 0 390.274 2.289 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)c2ccsc2S1(=O)=O ZINC000291202739 532898203 /nfs/dbraw/zinc/89/82/03/532898203.db2.gz KFUIVTJDGKZKDU-ZFWWWQNUSA-N 1 0 385.555 2.482 20 0 GEADRO C[C@@H]1C[C@@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000424052488 532895183 /nfs/dbraw/zinc/89/51/83/532895183.db2.gz MIFWISPLIQQJQI-UMVBOHGHSA-N 1 0 396.329 2.401 20 0 GEADRO CN(CC(=O)NCc1ccc(Cl)s1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362254150 532895457 /nfs/dbraw/zinc/89/54/57/532895457.db2.gz GRWYNQUCWXXTOA-HNNXBMFYSA-N 1 0 384.977 2.118 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000276420781 532895502 /nfs/dbraw/zinc/89/55/02/532895502.db2.gz GIXPOJAFAUCRCU-BMIGLBTASA-N 1 0 398.276 2.434 20 0 GEADRO O=S1(=O)CCC([NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000291113081 532896478 /nfs/dbraw/zinc/89/64/78/532896478.db2.gz KNOFVNULLATMOJ-UHFFFAOYSA-N 1 0 385.961 2.019 20 0 GEADRO Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000362632768 532896520 /nfs/dbraw/zinc/89/65/20/532896520.db2.gz BHKGWEHJVHKUSE-BEFAXECRSA-N 1 0 394.357 2.433 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1noc2ccc(Br)cc12 ZINC000424644983 532896806 /nfs/dbraw/zinc/89/68/06/532896806.db2.gz NKXOOPAQXMLJII-CYBMUJFWSA-N 1 0 396.285 2.360 20 0 GEADRO COc1ncc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1Br ZINC000424646865 532897139 /nfs/dbraw/zinc/89/71/39/532897139.db2.gz PVZUCPPCNZKRDF-CYBMUJFWSA-N 1 0 386.290 2.036 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000276533834 532897346 /nfs/dbraw/zinc/89/73/46/532897346.db2.gz DGKPKJNLIAZWII-NEPJUHHUSA-N 1 0 385.295 2.097 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000291275450 532899370 /nfs/dbraw/zinc/89/93/70/532899370.db2.gz IGCDONIWNNDSQM-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO COCCN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000363553945 532899392 /nfs/dbraw/zinc/89/93/92/532899392.db2.gz ZFVCCIFIYXFOOO-DOTOQJQBSA-N 1 0 389.949 2.136 20 0 GEADRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000363599740 532899795 /nfs/dbraw/zinc/89/97/95/532899795.db2.gz FCGGJBPHYMGJHN-UHFFFAOYSA-N 1 0 385.555 2.022 20 0 GEADRO C[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000276690852 532899838 /nfs/dbraw/zinc/89/98/38/532899838.db2.gz VHTGVPOHQLKISD-OASPWFOLSA-N 1 0 396.310 2.473 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291347300 532900546 /nfs/dbraw/zinc/90/05/46/532900546.db2.gz VXMYRUVBVWYGMR-DHMWGJHJSA-N 1 0 385.555 2.337 20 0 GEADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000363662360 532900365 /nfs/dbraw/zinc/90/03/65/532900365.db2.gz NGLDPHPQRNVQBK-SDDRHHMPSA-N 1 0 376.309 2.493 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3cccc(Br)c3)CC2)C1 ZINC000363660826 532900389 /nfs/dbraw/zinc/90/03/89/532900389.db2.gz OHEKVBIKFSUGFV-QGZVFWFLSA-N 1 0 380.330 2.230 20 0 GEADRO CN(C1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000291227522 532898846 /nfs/dbraw/zinc/89/88/46/532898846.db2.gz SYOMWSVIMYCMCV-HNNXBMFYSA-N 1 0 380.432 2.095 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2scc(C)c2I)C1 ZINC000276604685 532898868 /nfs/dbraw/zinc/89/88/68/532898868.db2.gz YINYWXGORXSQKX-JTQLQIEISA-N 1 0 394.278 2.112 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000363556962 532899152 /nfs/dbraw/zinc/89/91/52/532899152.db2.gz GUGCLXCLUZAJQI-GFCCVEGCSA-N 1 0 382.302 2.306 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cnc1Br ZINC000276848362 532902170 /nfs/dbraw/zinc/90/21/70/532902170.db2.gz ZTPSWSZJHSYJRT-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000363738513 532900685 /nfs/dbraw/zinc/90/06/85/532900685.db2.gz NRDKDZCQIWULEE-AWEZNQCLSA-N 1 0 376.473 2.177 20 0 GEADRO O=C(NCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000363830373 532901481 /nfs/dbraw/zinc/90/14/81/532901481.db2.gz SJWZVUHGRLOXAO-MRXNPFEDSA-N 1 0 394.313 2.027 20 0 GEADRO Cn1cc([C@@H]2C[N@H+](Cc3cn4ccc(Br)cc4n3)C[C@H]2CO)cn1 ZINC000291628959 532905396 /nfs/dbraw/zinc/90/53/96/532905396.db2.gz SECKMPIXCLLATA-BBRMVZONSA-N 1 0 390.285 2.038 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000364005059 532902805 /nfs/dbraw/zinc/90/28/05/532902805.db2.gz UUUFXDNUHHRMOK-BFHYXJOUSA-N 1 0 382.302 2.476 20 0 GEADRO Cc1csc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1Cl ZINC000276880771 532902874 /nfs/dbraw/zinc/90/28/74/532902874.db2.gz KXPQSGKOFSSOAZ-LBPRGKRZSA-N 1 0 378.947 2.291 20 0 GEADRO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@@H]1OC ZINC000276949713 532904225 /nfs/dbraw/zinc/90/42/25/532904225.db2.gz VUTAIOYPOCLJJR-OKILXGFUSA-N 1 0 375.238 2.262 20 0 GEADRO O=C(N[C@H](CO)c1cccc(Br)c1)c1cc(CN2CCCC2)on1 ZINC000291602373 532904695 /nfs/dbraw/zinc/90/46/95/532904695.db2.gz CCWPGBOYMDTTBN-MRXNPFEDSA-N 1 0 394.269 2.496 20 0 GEADRO CN(C)C(=O)N1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000276970981 532904781 /nfs/dbraw/zinc/90/47/81/532904781.db2.gz FIJXURRDZPHPQP-OAHLLOKOSA-N 1 0 398.345 2.336 20 0 GEADRO C[NH+]1CCC(CC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)CC1 ZINC000291615171 532904972 /nfs/dbraw/zinc/90/49/72/532904972.db2.gz GKYWJQYMRFHRPF-QGZVFWFLSA-N 1 0 394.313 2.181 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000364250679 532905052 /nfs/dbraw/zinc/90/50/52/532905052.db2.gz AJHFWZGSPOAJFM-UHFFFAOYSA-N 1 0 399.289 2.371 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000277004877 532905740 /nfs/dbraw/zinc/90/57/40/532905740.db2.gz OXTWREYPXBSRMY-QMTHXVAHSA-N 1 0 386.279 2.493 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000291651710 532906389 /nfs/dbraw/zinc/90/63/89/532906389.db2.gz DWTQAWBQIPTENZ-JSGCOSHPSA-N 1 0 395.301 2.034 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000277061750 532907237 /nfs/dbraw/zinc/90/72/37/532907237.db2.gz HGFGZRVMBPWDNE-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC2(C)OCCCO2)ccc1S(=O)(=O)C(F)F ZINC000277078591 532907494 /nfs/dbraw/zinc/90/74/94/532907494.db2.gz FLYCYHNOHWHKIU-NSHDSACASA-N 1 0 379.425 2.495 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277080010 532907548 /nfs/dbraw/zinc/90/75/48/532907548.db2.gz UDORWUCKGONQSS-GFCCVEGCSA-N 1 0 375.922 2.273 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000291712558 532907773 /nfs/dbraw/zinc/90/77/73/532907773.db2.gz JNPFAERKZDCXQV-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(Br)c3)C2)CC1 ZINC000365258386 532909273 /nfs/dbraw/zinc/90/92/73/532909273.db2.gz FDMTXLZEWOFZMD-MRXNPFEDSA-N 1 0 395.345 2.417 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000291846289 532909523 /nfs/dbraw/zinc/90/95/23/532909523.db2.gz SVUVIKRVRWQRTQ-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO CN(C(=O)c1cc(Br)nn1C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000365408354 532910702 /nfs/dbraw/zinc/91/07/02/532910702.db2.gz XHECLPAEHXPYQF-UHFFFAOYSA-N 1 0 378.274 2.319 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000291759763 532908460 /nfs/dbraw/zinc/90/84/60/532908460.db2.gz NFJKNDMMYNBYKE-UWVGGRQHSA-N 1 0 378.420 2.289 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1(c2ccccc2Br)CC1 ZINC000365027992 532908724 /nfs/dbraw/zinc/90/87/24/532908724.db2.gz RDITWHZHKANQHQ-UONOGXRCSA-N 1 0 379.298 2.460 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000292061548 532912355 /nfs/dbraw/zinc/91/23/55/532912355.db2.gz ZVAVUHDDBBJOKC-LLVKDONJSA-N 1 0 391.331 2.311 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000292045023 532912435 /nfs/dbraw/zinc/91/24/35/532912435.db2.gz IPNHNCYNWNBWFQ-STQMWFEESA-N 1 0 382.302 2.436 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3ccccc3I)C2)C1 ZINC000292093264 532912874 /nfs/dbraw/zinc/91/28/74/532912874.db2.gz GZWABJVNDBYADE-INIZCTEOSA-N 1 0 399.276 2.257 20 0 GEADRO O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365862719 532912593 /nfs/dbraw/zinc/91/25/93/532912593.db2.gz GDDIKOOEBLSESA-CJNGLKHVSA-N 1 0 377.535 2.139 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000291970951 532911573 /nfs/dbraw/zinc/91/15/73/532911573.db2.gz SOVYHUQATWSLMN-ABAIWWIYSA-N 1 0 381.270 2.402 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)N3CCN([C@@H]4CCSC4)CC3)cc2s1 ZINC000366173486 532914978 /nfs/dbraw/zinc/91/49/78/532914978.db2.gz UMXDDXXPWSWYCZ-CYBMUJFWSA-N 1 0 383.564 2.417 20 0 GEADRO Cc1nn(C)c(CN2CCC(c3ccnn3CCO)CC2)c1Br ZINC000366172318 532914998 /nfs/dbraw/zinc/91/49/98/532914998.db2.gz QTOFLTXMCVTPAL-UHFFFAOYSA-N 1 0 382.306 2.059 20 0 GEADRO COc1cc(Br)c(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1OC ZINC000366264526 532915605 /nfs/dbraw/zinc/91/56/05/532915605.db2.gz CPNDBWHQNHSKGT-CYBMUJFWSA-N 1 0 383.286 2.424 20 0 GEADRO O=C(NC[C@@]1(N2CCOCC2)CCCOC1)Nc1cccc(Br)c1 ZINC000366273206 532915677 /nfs/dbraw/zinc/91/56/77/532915677.db2.gz PGOYZZRAMORJOY-KRWDZBQOSA-N 1 0 398.301 2.452 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366282715 532915977 /nfs/dbraw/zinc/91/59/77/532915977.db2.gz GVXGVUYJCWYSIS-YPMHNXCESA-N 1 0 380.491 2.060 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000292103327 532913222 /nfs/dbraw/zinc/91/32/22/532913222.db2.gz SAENHXWYXCHLQR-TZMCWYRMSA-N 1 0 395.301 2.176 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000365989389 532913705 /nfs/dbraw/zinc/91/37/05/532913705.db2.gz SAACDBDXBDQYQN-ZDUSSCGKSA-N 1 0 387.709 2.416 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)[C@@H]1OCCc2sccc21 ZINC000292416804 532916300 /nfs/dbraw/zinc/91/63/00/532916300.db2.gz MLXRZIMGBALUBJ-BZNIZROVSA-N 1 0 379.507 2.428 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@]2(F)CC[NH2+]C2)ccc1Cl ZINC000366338587 532916367 /nfs/dbraw/zinc/91/63/67/532916367.db2.gz QAYQNOGWVIHVTK-HNNXBMFYSA-N 1 0 377.869 2.011 20 0 GEADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)CC[C@H]12 ZINC000366331739 532916547 /nfs/dbraw/zinc/91/65/47/532916547.db2.gz OWMCPIYTTTUSRU-QWHCGFSZSA-N 1 0 390.237 2.199 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CCCN(CC[NH+](C)C)CC2)c1 ZINC000366358043 532916621 /nfs/dbraw/zinc/91/66/21/532916621.db2.gz YEEWBABZWDDKMZ-UHFFFAOYSA-N 1 0 398.345 2.096 20 0 GEADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000366460390 532917588 /nfs/dbraw/zinc/91/75/88/532917588.db2.gz YSEGRGCYQXOPCQ-LLVKDONJSA-N 1 0 378.420 2.167 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366497499 532918063 /nfs/dbraw/zinc/91/80/63/532918063.db2.gz ZMODYPOOXKEPAF-SWLSCSKDSA-N 1 0 386.901 2.279 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366497498 532918126 /nfs/dbraw/zinc/91/81/26/532918126.db2.gz ZMODYPOOXKEPAF-IUODEOHRSA-N 1 0 386.901 2.279 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1F ZINC000293109529 532922245 /nfs/dbraw/zinc/92/22/45/532922245.db2.gz UUTAZVRQTIQMAM-JTQLQIEISA-N 1 0 382.379 2.487 20 0 GEADRO C[S@](=O)c1ccc(CC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000366619218 532919414 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ZINC000369819600 532941048 /nfs/dbraw/zinc/94/10/48/532941048.db2.gz OYBMDSVXQYXSLE-HNNXBMFYSA-N 1 0 389.924 2.268 20 0 GEADRO Cn1nccc1CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000370149281 532942388 /nfs/dbraw/zinc/94/23/88/532942388.db2.gz GDIXUKQAHULUCJ-UHFFFAOYSA-N 1 0 382.917 2.059 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000370672330 532944765 /nfs/dbraw/zinc/94/47/65/532944765.db2.gz DBHHSVWXJOJKPT-GHMZBOCLSA-N 1 0 377.279 2.127 20 0 GEADRO OC1(C[NH+]2CCOCC2)CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000370676981 532944863 /nfs/dbraw/zinc/94/48/63/532944863.db2.gz MEBAHMBCIGNOPH-UHFFFAOYSA-N 1 0 379.810 2.417 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370743857 532945271 /nfs/dbraw/zinc/94/52/71/532945271.db2.gz YLMCBZZRYMEAKY-RYUDHWBXSA-N 1 0 384.249 2.270 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000370792639 532945378 /nfs/dbraw/zinc/94/53/78/532945378.db2.gz BDCQTRRQUATFNL-ZIAGYGMSSA-N 1 0 381.318 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Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n1 ZINC000737475041 598357684 /nfs/dbraw/zinc/35/76/84/598357684.db2.gz YZSBBQZGTLATJB-MRXNPFEDSA-N 1 0 377.456 2.165 20 0 GEADRO C[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736290598 598365868 /nfs/dbraw/zinc/36/58/68/598365868.db2.gz RLBOAVHKXHXHSR-OXJNMPFZSA-N 1 0 378.480 2.106 20 0 GEADRO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736284686 598365892 /nfs/dbraw/zinc/36/58/92/598365892.db2.gz CVZVYVPIHHVEDH-QRWLVFNGSA-N 1 0 396.470 2.246 20 0 GEADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736818508 598366888 /nfs/dbraw/zinc/36/68/88/598366888.db2.gz RSZRUPJXDILNHJ-KRWDZBQOSA-N 1 0 394.483 2.224 20 0 GEADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C[C@@H]1CCCO1 ZINC000736793279 598373876 /nfs/dbraw/zinc/37/38/76/598373876.db2.gz VZQAMRSDLMXZJM-LBPRGKRZSA-N 1 0 390.513 2.246 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000738387889 598376481 /nfs/dbraw/zinc/37/64/81/598376481.db2.gz QAIRNLMUVCVEQW-SFHVURJKSA-N 1 0 383.427 2.410 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000735551382 598423333 /nfs/dbraw/zinc/42/33/33/598423333.db2.gz QYRMQUAIXWZYDV-OCCSQVGLSA-N 1 0 389.891 2.017 20 0 GEADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738117049 598446587 /nfs/dbraw/zinc/44/65/87/598446587.db2.gz PHSHFZWGPMZOQN-UHFFFAOYSA-N 1 0 376.464 2.395 20 0 GEADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737210951 598450387 /nfs/dbraw/zinc/45/03/87/598450387.db2.gz IGUMCZQSFFIVSD-UHFFFAOYSA-N 1 0 395.492 2.371 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738037503 598478747 /nfs/dbraw/zinc/47/87/47/598478747.db2.gz WHXZXNDHYWTCII-WMZOPIPTSA-N 1 0 381.484 2.168 20 0 GEADRO C[C@]1([NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CCCc2ccccc21 ZINC000736222113 598486442 /nfs/dbraw/zinc/48/64/42/598486442.db2.gz DNXHWAIWIHFJMS-NRFANRHFSA-N 1 0 376.464 2.324 20 0 GEADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000738146813 598515127 /nfs/dbraw/zinc/51/51/27/598515127.db2.gz RECYHTQFJPFGRS-GFCCVEGCSA-N 1 0 393.398 2.074 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(C(F)(F)F)c1 ZINC000736136387 598517173 /nfs/dbraw/zinc/51/71/73/598517173.db2.gz RNHMQNXJZMJMBI-MNOVXSKESA-N 1 0 392.389 2.475 20 0 GEADRO COc1ccc2cc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)ccc2c1 ZINC000737118476 598519956 /nfs/dbraw/zinc/51/99/56/598519956.db2.gz FIZJDUJDGAMBSB-AWEZNQCLSA-N 1 0 390.451 2.057 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(OC(F)F)cc1 ZINC000736136425 598519959 /nfs/dbraw/zinc/51/99/59/598519959.db2.gz RUCDXWHQLBGZLF-MNOVXSKESA-N 1 0 390.398 2.057 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1OC(F)F ZINC000736135694 598520038 /nfs/dbraw/zinc/52/00/38/598520038.db2.gz PQOUUHXPCYOHIA-GHMZBOCLSA-N 1 0 390.398 2.057 20 0 GEADRO c1coc([C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)c1 ZINC000738427481 598520889 /nfs/dbraw/zinc/52/08/89/598520889.db2.gz WNZJEQMBPRCBDB-GUYCJALGSA-N 1 0 376.424 2.077 20 0 GEADRO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735913371 598522379 /nfs/dbraw/zinc/52/23/79/598522379.db2.gz NGIKRLBTXBXAJW-UONOGXRCSA-N 1 0 382.472 2.243 20 0 GEADRO Cc1c2cc(F)ccc2oc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737212472 598526250 /nfs/dbraw/zinc/52/62/50/598526250.db2.gz QPEDAHDETBYNSZ-LLVKDONJSA-N 1 0 382.403 2.088 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736457070 598540213 /nfs/dbraw/zinc/54/02/13/598540213.db2.gz LIYOOEDQOISWDQ-INIZCTEOSA-N 1 0 389.479 2.460 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736569376 598556027 /nfs/dbraw/zinc/55/60/27/598556027.db2.gz HGHVXFCXUGZASA-HNNXBMFYSA-N 1 0 396.451 2.253 20 0 GEADRO CC1CC[NH+](CCNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000736274745 598561432 /nfs/dbraw/zinc/56/14/32/598561432.db2.gz BSJSTBUUPHJTOZ-UHFFFAOYSA-N 1 0 395.414 2.322 20 0 GEADRO Cn1nccc1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737627035 598561819 /nfs/dbraw/zinc/56/18/19/598561819.db2.gz HRHZVGGMDICSFP-UHFFFAOYSA-N 1 0 375.436 2.469 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000736170218 598569269 /nfs/dbraw/zinc/56/92/69/598569269.db2.gz OUIHFZZKLYCYTN-RHSMWYFYSA-N 1 0 392.463 2.154 20 0 GEADRO O=C(COc1ccccc1-c1nn[nH]n1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737932207 598570456 /nfs/dbraw/zinc/57/04/56/598570456.db2.gz UMRLSYWPZWRAGQ-KRWDZBQOSA-N 1 0 398.511 2.406 20 0 GEADRO Cc1cc(C)n(CC[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000737256747 598593527 /nfs/dbraw/zinc/59/35/27/598593527.db2.gz MWTYYWIMMXWIOV-UHFFFAOYSA-N 1 0 394.483 2.031 20 0 GEADRO FC(F)Oc1ccc2ncc(-c3nn[nH]n3)c(NCC[NH+]3CCCCC3)c2c1 ZINC000737639090 598600691 /nfs/dbraw/zinc/60/06/91/598600691.db2.gz NHASGKYMJAXCCA-UHFFFAOYSA-N 1 0 389.410 2.336 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736268368 598604060 /nfs/dbraw/zinc/60/40/60/598604060.db2.gz SZNOWNYHGUXAMT-QFBILLFUSA-N 1 0 397.527 2.216 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736268361 598604293 /nfs/dbraw/zinc/60/42/93/598604293.db2.gz SZNOWNYHGUXAMT-APWZRJJASA-N 1 0 397.527 2.216 20 0 GEADRO C[N@H+](CCCc1ccccc1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736797008 598615931 /nfs/dbraw/zinc/61/59/31/598615931.db2.gz DYWBMSOXJFBMEM-SFHVURJKSA-N 1 0 390.447 2.063 20 0 GEADRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735873227 598621091 /nfs/dbraw/zinc/62/10/91/598621091.db2.gz CWDXPNHPMMDKOQ-CQSZACIVSA-N 1 0 382.390 2.240 20 0 GEADRO CC[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736542604 598621461 /nfs/dbraw/zinc/62/14/61/598621461.db2.gz UKPFVVOYTCMVOK-SFHVURJKSA-N 1 0 392.463 2.373 20 0 GEADRO C[N@@H+]1CC[C@H](C(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)Cc2cccc(F)c2)C1 ZINC000736847861 598627104 /nfs/dbraw/zinc/62/71/04/598627104.db2.gz XHRZDNKVCBQZTH-SFHVURJKSA-N 1 0 394.454 2.486 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000736757435 598663403 /nfs/dbraw/zinc/66/34/03/598663403.db2.gz AJSUDPORBVAWQX-CQSZACIVSA-N 1 0 388.522 2.439 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000736759285 598664384 /nfs/dbraw/zinc/66/43/84/598664384.db2.gz LSSQLGDUBUDGPM-OAHLLOKOSA-N 1 0 388.522 2.439 20 0 GEADRO O=C(COc1ccccc1-c1nn[nH]n1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737925549 598669171 /nfs/dbraw/zinc/66/91/71/598669171.db2.gz VCUAXOGJLGDVBJ-KRWDZBQOSA-N 1 0 398.511 2.360 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736572561 598681158 /nfs/dbraw/zinc/68/11/58/598681158.db2.gz VGWIWMXFCLXBBP-UHFFFAOYSA-N 1 0 393.451 2.268 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735875585 598684715 /nfs/dbraw/zinc/68/47/15/598684715.db2.gz PFENDWVSHTXSBF-INIZCTEOSA-N 1 0 386.500 2.262 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000738027196 598685953 /nfs/dbraw/zinc/68/59/53/598685953.db2.gz XBMYOGHGFSKDGJ-OAHLLOKOSA-N 1 0 391.435 2.021 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736570983 598686215 /nfs/dbraw/zinc/68/62/15/598686215.db2.gz OAFOBOZPSRATGC-INIZCTEOSA-N 1 0 386.500 2.264 20 0 GEADRO CC(C)OCCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000735896901 598716309 /nfs/dbraw/zinc/71/63/09/598716309.db2.gz YYDPUVVSTWBNHZ-UHFFFAOYSA-N 1 0 381.484 2.352 20 0 GEADRO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)no1 ZINC000737471216 598717062 /nfs/dbraw/zinc/71/70/62/598717062.db2.gz FOCQJGKPJFCITN-AWEZNQCLSA-N 1 0 378.440 2.266 20 0 GEADRO CCCCCC[N@H+](C)CC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736447111 598720475 /nfs/dbraw/zinc/72/04/75/598720475.db2.gz FRDRWQUHPFBSKU-UHFFFAOYSA-N 1 0 385.516 2.027 20 0 GEADRO CCS[C@H]1CCCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736666321 598749261 /nfs/dbraw/zinc/74/92/61/598749261.db2.gz RISSQLDDBGIHJH-RDJZCZTQSA-N 1 0 377.514 2.214 20 0 GEADRO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)c(C)c3-c3nn[nH]n3)CC2)c1 ZINC000737126485 598757226 /nfs/dbraw/zinc/75/72/26/598757226.db2.gz MSTHNBZRABBJNJ-HNNXBMFYSA-N 1 0 394.483 2.165 20 0 GEADRO C[C@@H]1c2ccccc2OCC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736305032 598763576 /nfs/dbraw/zinc/76/35/76/598763576.db2.gz SAQNSHHFALFWMT-ZBFHGGJFSA-N 1 0 381.436 2.062 20 0 GEADRO O=C(CC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)NC1CCCC1 ZINC000737839999 598765855 /nfs/dbraw/zinc/76/58/55/598765855.db2.gz YFALSXOCJAMXPI-UHFFFAOYSA-N 1 0 384.484 2.159 20 0 GEADRO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736250873 598766297 /nfs/dbraw/zinc/76/62/97/598766297.db2.gz NLOULJPIFZZDOA-IYBDPMFKSA-N 1 0 398.511 2.499 20 0 GEADRO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000736791835 598787921 /nfs/dbraw/zinc/78/79/21/598787921.db2.gz OKVUXOOQONHOAY-LJQANCHMSA-N 1 0 393.495 2.144 20 0 GEADRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735587722 598796614 /nfs/dbraw/zinc/79/66/14/598796614.db2.gz XYOPOMULDLAQJX-HNNXBMFYSA-N 1 0 386.500 2.120 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000736247538 598811438 /nfs/dbraw/zinc/81/14/38/598811438.db2.gz FOLMVBYLPGAHNR-OKILXGFUSA-N 1 0 380.456 2.254 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[nH]n1 ZINC000736533491 598812988 /nfs/dbraw/zinc/81/29/88/598812988.db2.gz HJJVWJOJNGJYBS-NSHDSACASA-N 1 0 389.529 2.321 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000735986076 598813365 /nfs/dbraw/zinc/81/33/65/598813365.db2.gz KZMXQKVIVGEKIA-CYBMUJFWSA-N 1 0 381.440 2.124 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C=Cc1cncc(F)c1 ZINC000736767629 598819131 /nfs/dbraw/zinc/81/91/31/598819131.db2.gz RQXOMJFWPFXKOZ-VOTSOKGWSA-N 1 0 395.442 2.004 20 0 GEADRO C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000820420078 599301041 /nfs/dbraw/zinc/30/10/41/599301041.db2.gz MCYXNAYAVOEGOG-ZDUSSCGKSA-N 1 0 394.435 2.317 20 0 GEADRO CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc2c(c1)OCO2 ZINC000821206930 599301766 /nfs/dbraw/zinc/30/17/66/599301766.db2.gz HHOVYTFVGIODHL-UHFFFAOYSA-N 1 0 394.435 2.446 20 0 GEADRO CCOCCCNC(=O)C1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736615811 599310092 /nfs/dbraw/zinc/31/00/92/599310092.db2.gz OEVXNRAJOFGXLL-HNNXBMFYSA-N 1 0 386.500 2.183 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000737248857 599320184 /nfs/dbraw/zinc/32/01/84/599320184.db2.gz NIRITVHAGGOCBT-MSOLQXFVSA-N 1 0 393.495 2.067 20 0 GEADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735964983 599357149 /nfs/dbraw/zinc/35/71/49/599357149.db2.gz HVDNCJKACOQGGK-MRXNPFEDSA-N 1 0 382.472 2.298 20 0 GEADRO CC[C@@H](C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[NH+](CC)CC ZINC000736314247 599373531 /nfs/dbraw/zinc/37/35/31/599373531.db2.gz RGTXSSQVGKBWTG-SFHVURJKSA-N 1 0 386.500 2.357 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000820413477 599389561 /nfs/dbraw/zinc/38/95/61/599389561.db2.gz QPJZDRDYVWEXGQ-RYUDHWBXSA-N 1 0 380.408 2.273 20 0 GEADRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821898177 599390507 /nfs/dbraw/zinc/39/05/07/599390507.db2.gz NPDKKAWDJJDKBI-UONOGXRCSA-N 1 0 380.452 2.231 20 0 GEADRO COc1ccc(C[NH2+]CCc2cnn(-c3ccccc3)c2)cc1-c1nn[nH]n1 ZINC000821814175 599401530 /nfs/dbraw/zinc/40/15/30/599401530.db2.gz VFZGEMKKCXSBMD-UHFFFAOYSA-N 1 0 375.436 2.393 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000820649181 599416375 /nfs/dbraw/zinc/41/63/75/599416375.db2.gz JUCIBPODYKTSPZ-KBPBESRZSA-N 1 0 389.479 2.173 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000820649193 599416724 /nfs/dbraw/zinc/41/67/24/599416724.db2.gz JUCIBPODYKTSPZ-ZIAGYGMSSA-N 1 0 389.479 2.173 20 0 GEADRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cc1-c1nn[nH]n1 ZINC000821808785 599439201 /nfs/dbraw/zinc/43/92/01/599439201.db2.gz JPLJDXDJSXKUGF-SFHVURJKSA-N 1 0 375.379 2.151 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)C1CCCCC1 ZINC000821579857 599442935 /nfs/dbraw/zinc/44/29/35/599442935.db2.gz QOEAHCZLKFTBFE-KRWDZBQOSA-N 1 0 389.479 2.316 20 0 GEADRO COC(=O)Nc1ccc(CC[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821664779 599444638 /nfs/dbraw/zinc/44/46/38/599444638.db2.gz JACLHXIZAGZPPH-UHFFFAOYSA-N 1 0 382.424 2.386 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000821805706 599454472 /nfs/dbraw/zinc/45/44/72/599454472.db2.gz WIQYSRUXJQCEJC-SUMWQHHRSA-N 1 0 378.436 2.159 20 0 GEADRO O=C(NCCCC1CC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738055265 599456355 /nfs/dbraw/zinc/45/63/55/599456355.db2.gz IYPUTXHJRDCFSF-UHFFFAOYSA-N 1 0 383.500 2.274 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736234463 599477343 /nfs/dbraw/zinc/47/73/43/599477343.db2.gz JMGVOSQFTXOOCT-PUECVXPYSA-N 1 0 380.427 2.410 20 0 GEADRO Clc1ccc2ncc(-c3nn[nH]n3)c(NCCCC[NH+]3CCOCC3)c2c1 ZINC000822581244 599481099 /nfs/dbraw/zinc/48/10/99/599481099.db2.gz FQMHDDRCUPATMS-UHFFFAOYSA-N 1 0 387.875 2.015 20 0 GEADRO COc1cc2c(cc1C[NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)O[C@H](C)C2 ZINC000737056567 599484757 /nfs/dbraw/zinc/48/47/57/599484757.db2.gz WYFASMWBANABSR-GFCCVEGCSA-N 1 0 391.435 2.136 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000738412243 599485864 /nfs/dbraw/zinc/48/58/64/599485864.db2.gz CZBNAZMYJXIZHV-UHFFFAOYSA-N 1 0 389.467 2.190 20 0 GEADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](CC2CC2)CC1 ZINC000822774490 599486266 /nfs/dbraw/zinc/48/62/66/599486266.db2.gz KGGBGSLTKOEXKP-UHFFFAOYSA-N 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C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000736149695 599523995 /nfs/dbraw/zinc/52/39/95/599523995.db2.gz WBHLKERICYUVBJ-GFCCVEGCSA-N 1 0 398.433 2.415 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000736169657 599554802 /nfs/dbraw/zinc/55/48/02/599554802.db2.gz MRCTZVTUTIIANG-DOTOQJQBSA-N 1 0 384.484 2.111 20 0 GEADRO c1cc(-c2nnc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)o2)ccc1-c1nn[nH]n1 ZINC000823737933 599577035 /nfs/dbraw/zinc/57/70/35/599577035.db2.gz LMJKEIJGWMMVFP-QGZVFWFLSA-N 1 0 394.483 2.367 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000821702322 599580543 /nfs/dbraw/zinc/58/05/43/599580543.db2.gz PRJYGMHLGGPAQI-MRXNPFEDSA-N 1 0 386.500 2.062 20 0 GEADRO O=C(CC[N@H+]1CCC[C@H](OCC(F)(F)F)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737842490 599586315 /nfs/dbraw/zinc/58/63/15/599586315.db2.gz CITKXMJUEDPGND-AWEZNQCLSA-N 1 0 398.389 2.239 20 0 GEADRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736614979 599587134 /nfs/dbraw/zinc/58/71/34/599587134.db2.gz WOILPOSSZAMRGV-LBPRGKRZSA-N 1 0 390.513 2.246 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000821189776 599587360 /nfs/dbraw/zinc/58/73/60/599587360.db2.gz STHBSVZKUQRSGA-CQSZACIVSA-N 1 0 382.472 2.080 20 0 GEADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000736798825 599591883 /nfs/dbraw/zinc/59/18/83/599591883.db2.gz ICLIVIGPXTZYMQ-UHFFFAOYSA-N 1 0 395.486 2.260 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000819876386 599641304 /nfs/dbraw/zinc/64/13/04/599641304.db2.gz GPXKCSOEPDLWCV-HZPDHXFCSA-N 1 0 383.500 2.002 20 0 GEADRO O=C(c1ccncc1Cl)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823498719 599648442 /nfs/dbraw/zinc/64/84/42/599648442.db2.gz ZDDFXFDJMHTORQ-UHFFFAOYSA-N 1 0 397.870 2.263 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)([NH+](C)C)C1 ZINC000820698200 599672002 /nfs/dbraw/zinc/67/20/02/599672002.db2.gz QYMQOHNBBGWJHU-YJYMSZOUSA-N 1 0 389.479 2.316 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820650458 599672602 /nfs/dbraw/zinc/67/26/02/599672602.db2.gz VLQFEXBDFUQXRR-MCIONIFRSA-N 1 0 389.479 2.171 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000821066908 599673341 /nfs/dbraw/zinc/67/33/41/599673341.db2.gz YGPQLMKEFYRBKC-UHFFFAOYSA-N 1 0 375.452 2.070 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000821164668 599673427 /nfs/dbraw/zinc/67/34/27/599673427.db2.gz IZWOGWBTLIFLQT-UHFFFAOYSA-N 1 0 397.458 2.457 20 0 GEADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000821649735 599690996 /nfs/dbraw/zinc/69/09/96/599690996.db2.gz CETJMWMJYUOVAV-SQNIBIBYSA-N 1 0 384.484 2.028 20 0 GEADRO COc1ccc(C2CC[NH+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821786624 599691101 /nfs/dbraw/zinc/69/11/01/599691101.db2.gz GSIXYIXOHSWNOI-IBGZPJMESA-N 1 0 392.463 2.281 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000820529839 599692354 /nfs/dbraw/zinc/69/23/54/599692354.db2.gz RVOJFVHGRXOKNC-HNNXBMFYSA-N 1 0 384.484 2.111 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)NCCSCc2ccccc2-c2nn[nH]n2)CC1 ZINC000820129007 599695672 /nfs/dbraw/zinc/69/56/72/599695672.db2.gz VEHFEACBXISHQI-UHFFFAOYSA-N 1 0 388.541 2.337 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000822216447 599699192 /nfs/dbraw/zinc/69/91/92/599699192.db2.gz PEKIPDYFPQSBKC-UHFFFAOYSA-N 1 0 391.479 2.326 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)CC1 ZINC000820093496 607428936 /nfs/dbraw/zinc/42/89/36/607428936.db2.gz XWRVXCDGIAXKLH-UHFFFAOYSA-N 1 0 387.488 2.459 20 0 GEADRO COC(=O)[C@@H]1CC12CC[NH+](C/C=C/C[NH+]1CCC3(C[C@@H]3C(=O)[O-])CC1)CC2 ZINC000737579129 600288019 /nfs/dbraw/zinc/28/80/19/600288019.db2.gz HEUAVBOLNITNAI-JQBWTISXSA-N 1 0 376.497 2.004 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824948723 607453618 /nfs/dbraw/zinc/45/36/18/607453618.db2.gz VKGURFWMKNPYQI-LSDHHAIUSA-N 1 0 383.500 2.275 20 0 GEADRO CNC(=O)c1ccc(C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C2CC2)cc1 ZINC000821635394 607461367 /nfs/dbraw/zinc/46/13/67/607461367.db2.gz ZSNUVVCTWKEOHZ-UHFFFAOYSA-N 1 0 392.463 2.400 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)COc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000825406620 607471087 /nfs/dbraw/zinc/47/10/87/607471087.db2.gz RCQHBLUXOPRCBX-INIZCTEOSA-N 1 0 384.440 2.038 20 0 GEADRO Cc1oc(C(=O)[O-])cc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000738957451 600978251 /nfs/dbraw/zinc/97/82/51/600978251.db2.gz KUTFSEWKKDJZSZ-UHFFFAOYSA-N 1 0 379.501 2.202 20 0 GEADRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000822982636 607488001 /nfs/dbraw/zinc/48/80/01/607488001.db2.gz FPZWZDUMHSSEPZ-GOSISDBHSA-N 1 0 394.454 2.329 20 0 GEADRO COc1cccc(C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C[C@@H]2CCCO2)c1 ZINC000826216329 607488994 /nfs/dbraw/zinc/48/89/94/607488994.db2.gz TXWDOBXYRLUYHL-SFHVURJKSA-N 1 0 380.452 2.452 20 0 GEADRO CNC(=O)C(C)(C)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000821630301 607494985 /nfs/dbraw/zinc/49/49/85/607494985.db2.gz SMLKFKMBKSKAHO-UHFFFAOYSA-N 1 0 394.479 2.308 20 0 GEADRO CCc1oc(C(=O)[O-])cc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000830363356 601422008 /nfs/dbraw/zinc/42/20/08/601422008.db2.gz SRCPLMJCKQHJEO-UHFFFAOYSA-N 1 0 393.528 2.456 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000820092524 607507280 /nfs/dbraw/zinc/50/72/80/607507280.db2.gz NDODLNNBVJFCCR-CYBMUJFWSA-N 1 0 375.452 2.495 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC000824262124 607511174 /nfs/dbraw/zinc/51/11/74/607511174.db2.gz XYEJEPSLSBOULP-LBPRGKRZSA-N 1 0 377.880 2.013 20 0 GEADRO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826469000 607511226 /nfs/dbraw/zinc/51/12/26/607511226.db2.gz QEWWITGGQRZSJD-MEDUHNTESA-N 1 0 388.422 2.234 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826194901 607508803 /nfs/dbraw/zinc/50/88/03/607508803.db2.gz ZLQYCDKJWIYLSD-AWEZNQCLSA-N 1 0 388.472 2.364 20 0 GEADRO C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000825994531 601740480 /nfs/dbraw/zinc/74/04/80/601740480.db2.gz ITDIVERCJOMOLS-AVRDEDQJSA-N 1 0 387.524 2.487 20 0 GEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000832978946 601872547 /nfs/dbraw/zinc/87/25/47/601872547.db2.gz GBLCQZONSXYBTD-IBGZPJMESA-N 1 0 375.513 2.165 20 0 GEADRO CC[N@H+](CC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1)C1CC1 ZINC000825394370 607570541 /nfs/dbraw/zinc/57/05/41/607570541.db2.gz AUJNLFDEHWRWSV-UHFFFAOYSA-N 1 0 379.424 2.477 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000826182466 607639069 /nfs/dbraw/zinc/63/90/69/607639069.db2.gz KODSEFJAFOQNAJ-OAHLLOKOSA-N 1 0 388.472 2.317 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000826182407 607642377 /nfs/dbraw/zinc/64/23/77/607642377.db2.gz JCCKFULDWNCTCH-HNNXBMFYSA-N 1 0 393.451 2.121 20 0 GEADRO C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1cc2c(cc1Br)OCCO2 ZINC000444149501 649938082 /nfs/dbraw/zinc/93/80/82/649938082.db2.gz AQLRBMBBRGJGSS-QAGHZCBJSA-N 1 0 381.270 2.397 20 0 GEADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000826250864 607656004 /nfs/dbraw/zinc/65/60/04/607656004.db2.gz WIGCBPADPYPKNU-UHFFFAOYSA-N 1 0 377.452 2.179 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000444174003 649938867 /nfs/dbraw/zinc/93/88/67/649938867.db2.gz FSCDKFXNHMSSQN-UHFFFAOYSA-N 1 0 382.404 2.111 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000826335067 607671479 /nfs/dbraw/zinc/67/14/79/607671479.db2.gz WVINHIVKDHGCAS-QZTJIDSGSA-N 1 0 394.483 2.140 20 0 GEADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000826248880 607683944 /nfs/dbraw/zinc/68/39/44/607683944.db2.gz ACOMZURLOBLITD-UHFFFAOYSA-N 1 0 380.452 2.046 20 0 GEADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000826243300 607688047 /nfs/dbraw/zinc/68/80/47/607688047.db2.gz CAMFCEIRRURUNJ-UHFFFAOYSA-N 1 0 380.452 2.392 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000444261163 649943891 /nfs/dbraw/zinc/94/38/91/649943891.db2.gz WLSRDKGZJLTHTL-QWHCGFSZSA-N 1 0 380.286 2.060 20 0 GEADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000824936321 607697379 /nfs/dbraw/zinc/69/73/79/607697379.db2.gz GCSRNHFBRQEDAT-AWEZNQCLSA-N 1 0 379.468 2.499 20 0 GEADRO Cc1cc(NC(=O)c2ccc(-c3nn[nH]n3)cc2C)n(C2CC[NH+](C)CC2)n1 ZINC000826270732 607702549 /nfs/dbraw/zinc/70/25/49/607702549.db2.gz MLNYRQPECJRQKF-UHFFFAOYSA-N 1 0 380.456 2.199 20 0 GEADRO Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc(C)c1OCC(=O)[O-] ZINC000833745642 604771469 /nfs/dbraw/zinc/77/14/69/604771469.db2.gz QTNHOHGWZVCKTI-GBESFXJTSA-N 1 0 376.497 2.450 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)s1 ZINC000444543106 649950348 /nfs/dbraw/zinc/95/03/48/649950348.db2.gz IYVQKHCKXKRBJY-WDEREUQCSA-N 1 0 388.331 2.098 20 0 GEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)cc2F)CC1 ZINC000825855606 607724171 /nfs/dbraw/zinc/72/41/71/607724171.db2.gz IFJOICIEVGJGKZ-UHFFFAOYSA-N 1 0 398.446 2.117 20 0 GEADRO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000824808021 607753364 /nfs/dbraw/zinc/75/33/64/607753364.db2.gz PBASNADCFHRECZ-SUMWQHHRSA-N 1 0 378.484 2.408 20 0 GEADRO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000824808007 607753480 /nfs/dbraw/zinc/75/34/80/607753480.db2.gz PBASNADCFHRECZ-CXAGYDPISA-N 1 0 378.484 2.408 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CC1(O)CCCC1 ZINC000824047079 607754792 /nfs/dbraw/zinc/75/47/92/607754792.db2.gz WUAYWOPUGSAGOU-LLVKDONJSA-N 1 0 378.864 2.084 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CC1(O)CCCC1 ZINC000824047080 607754886 /nfs/dbraw/zinc/75/48/86/607754886.db2.gz WUAYWOPUGSAGOU-NSHDSACASA-N 1 0 378.864 2.084 20 0 GEADRO CC(C)Cc1ncnc(NCC[N@H+](C)C(C)C)c1I ZINC000553052951 651163051 /nfs/dbraw/zinc/16/30/51/651163051.db2.gz GWPSJCSTDWDDPR-UHFFFAOYSA-N 1 0 376.286 3.032 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000445265065 649960857 /nfs/dbraw/zinc/96/08/57/649960857.db2.gz UGLCCTJEALZSJM-AWEZNQCLSA-N 1 0 380.286 2.428 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](CCOC(C)C)CC1 ZINC000822334231 606042226 /nfs/dbraw/zinc/04/22/26/606042226.db2.gz AFXWUFXLSAZCQL-UHFFFAOYSA-N 1 0 381.484 2.270 20 0 GEADRO C[N@@H+]1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C2(CCCCC2)C1 ZINC000821626965 606098134 /nfs/dbraw/zinc/09/81/34/606098134.db2.gz HJBCFPZXFAWWTO-UHFFFAOYSA-N 1 0 383.500 2.146 20 0 GEADRO Cc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)o1 ZINC000822235275 606103388 /nfs/dbraw/zinc/10/33/88/606103388.db2.gz ZKRBBNNLOJNORZ-UHFFFAOYSA-N 1 0 382.468 2.291 20 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ZINC000819923234 606199894 /nfs/dbraw/zinc/19/98/94/606199894.db2.gz WGNRNLUHJQOLAA-UHFFFAOYSA-N 1 0 389.479 2.044 20 0 GEADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000820728426 606203405 /nfs/dbraw/zinc/20/34/05/606203405.db2.gz VRXJSFCLQMKGLT-PSTGCABASA-N 1 0 382.447 2.157 20 0 GEADRO COc1ccc([C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)N(C)C)cc1OC ZINC000821777706 606207132 /nfs/dbraw/zinc/20/71/32/606207132.db2.gz LOFGRSCTRDMQHJ-HNNXBMFYSA-N 1 0 388.497 2.338 20 0 GEADRO COc1cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)ccc1Br ZINC000445733972 649964910 /nfs/dbraw/zinc/96/49/10/649964910.db2.gz PCXVSRKOXXGFLZ-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000820426546 606210974 /nfs/dbraw/zinc/21/09/74/606210974.db2.gz LKMYIRMVIDFZDX-LBPRGKRZSA-N 1 0 398.492 2.436 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc(Cl)cc1 ZINC000823562247 606214833 /nfs/dbraw/zinc/21/48/33/606214833.db2.gz PHKLBQBTDWRAGK-UHFFFAOYSA-N 1 0 383.886 2.145 20 0 GEADRO O=C([C@H](Cc1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)cs1)N1CCCC1 ZINC000822911888 606216211 /nfs/dbraw/zinc/21/62/11/606216211.db2.gz CMGKCLPLKDDJLU-KRWDZBQOSA-N 1 0 382.493 2.252 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cn1C)c1cccc(OC)c1 ZINC000821180991 606216705 /nfs/dbraw/zinc/21/67/05/606216705.db2.gz IKZMWXLFMWTFBI-GOSISDBHSA-N 1 0 397.483 2.027 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820426602 606221335 /nfs/dbraw/zinc/22/13/35/606221335.db2.gz LZIKGNVYHWSMHK-KDOFPFPSSA-N 1 0 384.509 2.307 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NC[C@@]3([NH+](C)C)CCSC3)c2c1 ZINC000822195140 606242005 /nfs/dbraw/zinc/24/20/05/606242005.db2.gz IMEFNPOCHMIXIR-IBGZPJMESA-N 1 0 383.525 2.303 20 0 GEADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@@]1([NH+](C)C)CCSC1 ZINC000822204748 606242111 /nfs/dbraw/zinc/24/21/11/606242111.db2.gz ZKQOZYFIYUKAAD-SFHVURJKSA-N 1 0 387.488 2.134 20 0 GEADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC000820708994 606256630 /nfs/dbraw/zinc/25/66/30/606256630.db2.gz BMZHWGAXBFVMIW-CQSZACIVSA-N 1 0 379.468 2.357 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821001392 606275015 /nfs/dbraw/zinc/27/50/15/606275015.db2.gz RCIIDNFXJJOCKS-USXIJHARSA-N 1 0 384.484 2.109 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc2c(c1)OCO2 ZINC000820420959 606299458 /nfs/dbraw/zinc/29/94/58/606299458.db2.gz YQBZXSJOYMVRJP-GWCFXTLKSA-N 1 0 398.448 2.113 20 0 GEADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821777601 606303900 /nfs/dbraw/zinc/30/39/00/606303900.db2.gz JJHMDMRVAVZFRO-NHYWBVRUSA-N 1 0 384.465 2.393 20 0 GEADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000821649940 606319073 /nfs/dbraw/zinc/31/90/73/606319073.db2.gz HBPLBRUSUYCACB-GOSISDBHSA-N 1 0 386.500 2.133 20 0 GEADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000823344008 606348612 /nfs/dbraw/zinc/34/86/12/606348612.db2.gz NSIWIYBZZQCUFH-UHFFFAOYSA-N 1 0 396.430 2.187 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000821000351 606393338 /nfs/dbraw/zinc/39/33/38/606393338.db2.gz DGQVSGKCJKLGAB-HOTGVXAUSA-N 1 0 387.463 2.164 20 0 GEADRO C[NH+](C)CCCOC1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000821584442 606403012 /nfs/dbraw/zinc/40/30/12/606403012.db2.gz DISOYHJPGBZPGO-UHFFFAOYSA-N 1 0 381.484 2.352 20 0 GEADRO COc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)N(C)C)cc1OC ZINC000821778351 606405839 /nfs/dbraw/zinc/40/58/39/606405839.db2.gz YVRXLHGMVFZSOK-CQSZACIVSA-N 1 0 388.497 2.338 20 0 GEADRO Cc1cccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)N2CCOCC2)c1 ZINC000822288977 606409128 /nfs/dbraw/zinc/40/91/28/606409128.db2.gz OJGGXKKCHSAZAM-KRWDZBQOSA-N 1 0 384.509 2.400 20 0 GEADRO O=C(c1ccccc1F)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000823493541 606409763 /nfs/dbraw/zinc/40/97/63/606409763.db2.gz QCEGQVHBKJWXMR-UHFFFAOYSA-N 1 0 386.456 2.462 20 0 GEADRO CNS(=O)(=O)CCC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445882957 649965629 /nfs/dbraw/zinc/96/56/29/649965629.db2.gz BRCUCMLUYXJFQZ-ZDUSSCGKSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000820528192 606433913 /nfs/dbraw/zinc/43/39/13/606433913.db2.gz MLUICEWVPFVPDR-LBPRGKRZSA-N 1 0 384.415 2.473 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000821159940 606436848 /nfs/dbraw/zinc/43/68/48/606436848.db2.gz DVGVVPZSHXMVQS-NSHDSACASA-N 1 0 395.414 2.274 20 0 GEADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000822204114 606441877 /nfs/dbraw/zinc/44/18/77/606441877.db2.gz DUQVVBKRYCFVAE-OAHLLOKOSA-N 1 0 399.474 2.053 20 0 GEADRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000820994439 606453616 /nfs/dbraw/zinc/45/36/16/606453616.db2.gz IJNVMXCWULVNAE-SJORKVTESA-N 1 0 381.484 2.341 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000823092708 606502419 /nfs/dbraw/zinc/50/24/19/606502419.db2.gz ILRWJENATCCQBB-IBGZPJMESA-N 1 0 376.464 2.363 20 0 GEADRO CC(C)OCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000820145680 606505403 /nfs/dbraw/zinc/50/54/03/606505403.db2.gz DNOVQEYBNLUEBO-UHFFFAOYSA-N 1 0 396.442 2.011 20 0 GEADRO O=C(CC[N@@H+]1CCOC[C@@H]1Cc1ccccc1)Nc1ccccc1-c1nn[nH]n1 ZINC000822969617 606523286 /nfs/dbraw/zinc/52/32/86/606523286.db2.gz UBLXECDKFCLTQU-KRWDZBQOSA-N 1 0 392.463 2.139 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000823098514 606534816 /nfs/dbraw/zinc/53/48/16/606534816.db2.gz OXGYJSYWURSJID-UHFFFAOYSA-N 1 0 390.491 2.438 20 0 GEADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000820722718 606540838 /nfs/dbraw/zinc/54/08/38/606540838.db2.gz MMTORVGIURTYRF-SFHVURJKSA-N 1 0 382.512 2.380 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000823098231 606542104 /nfs/dbraw/zinc/54/21/04/606542104.db2.gz MDNYTELUJONYIG-MRXNPFEDSA-N 1 0 396.520 2.499 20 0 GEADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000823175836 606542397 /nfs/dbraw/zinc/54/23/97/606542397.db2.gz NIKLTXRJJCBFEX-HNNXBMFYSA-N 1 0 382.493 2.223 20 0 GEADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823253443 606559132 /nfs/dbraw/zinc/55/91/32/606559132.db2.gz IMLLSNWVSRYNMP-UHFFFAOYSA-N 1 0 398.492 2.333 20 0 GEADRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1(C)C ZINC000821679226 606601019 /nfs/dbraw/zinc/60/10/19/606601019.db2.gz YRPMRSBVQSYFFI-OWYVNGRQSA-N 1 0 378.864 2.250 20 0 GEADRO c1nnc([C@H]2CCC[N@@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C2)n1C1CC1 ZINC000823742675 606656313 /nfs/dbraw/zinc/65/63/13/606656313.db2.gz KEWWEHGXTQKTJX-HNNXBMFYSA-N 1 0 380.456 2.052 20 0 GEADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1sccc1-c1nn[nH]n1 ZINC000823363859 606659479 /nfs/dbraw/zinc/65/94/79/606659479.db2.gz PGVRKDGJRUJYJL-UHFFFAOYSA-N 1 0 398.492 2.385 20 0 GEADRO C[N@H+](CCNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)Cc1ccc(F)cc1 ZINC000821602640 606686015 /nfs/dbraw/zinc/68/60/15/606686015.db2.gz MBHVOZGFFIFMLW-UHFFFAOYSA-N 1 0 390.369 2.146 20 0 GEADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820339301 606696090 /nfs/dbraw/zinc/69/60/90/606696090.db2.gz BLRFJXDYPPDBTA-CQSZACIVSA-N 1 0 383.456 2.294 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(N2CCCC2)c1 ZINC000820418427 606732666 /nfs/dbraw/zinc/73/26/66/606732666.db2.gz AOWWNCPHNCWOJU-GJZGRUSLSA-N 1 0 393.499 2.056 20 0 GEADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000821897114 606769388 /nfs/dbraw/zinc/76/93/88/606769388.db2.gz DIPXHENDXVCHSK-CZUORRHYSA-N 1 0 378.436 2.331 20 0 GEADRO CC(C)(CCc1ccccc1)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000819980609 606770072 /nfs/dbraw/zinc/77/00/72/606770072.db2.gz FCCSNXKMOBYAAX-UHFFFAOYSA-N 1 0 378.480 2.484 20 0 GEADRO CCOC(=O)N1CCC([NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000821335012 606770646 /nfs/dbraw/zinc/77/06/46/606770646.db2.gz VLAJTQSKXDYWMS-UHFFFAOYSA-N 1 0 399.499 2.046 20 0 GEADRO CCC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)CC(C)(C)O ZINC000821094674 606794543 /nfs/dbraw/zinc/79/45/43/606794543.db2.gz NWSALFPSZRHITA-UHFFFAOYSA-N 1 0 392.529 2.228 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681753 606853173 /nfs/dbraw/zinc/85/31/73/606853173.db2.gz KEZDFEKIUGYGOC-HNNXBMFYSA-N 1 0 387.827 2.115 20 0 GEADRO Cc1nccn1-c1ccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000822476945 606857789 /nfs/dbraw/zinc/85/77/89/606857789.db2.gz ASJWKLWKKZENFN-IBGZPJMESA-N 1 0 393.426 2.323 20 0 GEADRO C[C@@H]1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820721695 606862250 /nfs/dbraw/zinc/86/22/50/606862250.db2.gz AACSYTUTAATFLY-DYESRHJHSA-N 1 0 392.507 2.497 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 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CFIOYKCHFBUTRE-CQSZACIVSA-N 1 0 390.488 2.481 20 0 GEADRO Oc1cccc(CN2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000823733036 606929061 /nfs/dbraw/zinc/92/90/61/606929061.db2.gz SBMOUWLSXXAJMQ-UHFFFAOYSA-N 1 0 394.479 2.159 20 0 GEADRO CC[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000820994898 606932398 /nfs/dbraw/zinc/93/23/98/606932398.db2.gz LLWAUCBJJOVBSY-AAEUAGOBSA-N 1 0 384.406 2.167 20 0 GEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)nc2)CC1 ZINC000821583343 606936726 /nfs/dbraw/zinc/93/67/26/606936726.db2.gz RSAORENBUJSBMP-UHFFFAOYSA-N 1 0 398.496 2.106 20 0 GEADRO CC(C)OCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000820146676 606939217 /nfs/dbraw/zinc/93/92/17/606939217.db2.gz QRWNSYHZPVJQOR-UHFFFAOYSA-N 1 0 384.406 2.433 20 0 GEADRO FC(F)(F)c1ccc(N2CC[NH+](C3CCOCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723720 606941936 /nfs/dbraw/zinc/94/19/36/606941936.db2.gz LYFWGBXUDQOWSF-UHFFFAOYSA-N 1 0 382.390 2.187 20 0 GEADRO OC[C@]1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCN(Cc2ccccc2)C1 ZINC000823715231 606972741 /nfs/dbraw/zinc/97/27/41/606972741.db2.gz SCJCPYLXZIYKNG-NRFANRHFSA-N 1 0 396.470 2.123 20 0 GEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821571741 606978824 /nfs/dbraw/zinc/97/88/24/606978824.db2.gz CPGBTTYARGAODR-CYBMUJFWSA-N 1 0 376.436 2.447 20 0 GEADRO O=C(CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822963999 606985579 /nfs/dbraw/zinc/98/55/79/606985579.db2.gz CCEVMUPKJHHSHW-SJORKVTESA-N 1 0 396.451 2.376 20 0 GEADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000821832084 606995759 /nfs/dbraw/zinc/99/57/59/606995759.db2.gz YTHQEZZXDRWXEQ-ZDUSSCGKSA-N 1 0 396.451 2.391 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821623193 607023010 /nfs/dbraw/zinc/02/30/10/607023010.db2.gz FUQSXLULQCZKET-IAGOWNOFSA-N 1 0 384.484 2.109 20 0 GEADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000819992491 607023774 /nfs/dbraw/zinc/02/37/74/607023774.db2.gz ZKMNJYHQLOFFJV-INIZCTEOSA-N 1 0 384.484 2.111 20 0 GEADRO Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c2cc(F)ccc2[nH+]1 ZINC000822205645 607024861 /nfs/dbraw/zinc/02/48/61/607024861.db2.gz BZEPTFPHPZLYJL-UHFFFAOYSA-N 1 0 381.419 2.237 20 0 GEADRO COC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821682790 607047239 /nfs/dbraw/zinc/04/72/39/607047239.db2.gz NRQBUIYGUHCVOL-LJQANCHMSA-N 1 0 393.495 2.078 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC000821182760 607049216 /nfs/dbraw/zinc/04/92/16/607049216.db2.gz YTVBWDSWZOYDNS-KRWDZBQOSA-N 1 0 394.545 2.043 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821181091 607050089 /nfs/dbraw/zinc/05/00/89/607050089.db2.gz KAEULSHAGYEZNI-OAHLLOKOSA-N 1 0 386.500 2.214 20 0 GEADRO C[C@@H](O)C[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000820473361 607053611 /nfs/dbraw/zinc/05/36/11/607053611.db2.gz AXIGCUOUQCFYHF-RHSMWYFYSA-N 1 0 377.452 2.159 20 0 GEADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819940402 607069312 /nfs/dbraw/zinc/06/93/12/607069312.db2.gz ZZYQNPVRMPRPNF-CQSZACIVSA-N 1 0 376.436 2.495 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCCCOc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625315 607071898 /nfs/dbraw/zinc/07/18/98/607071898.db2.gz KVUDENUTQXNCJF-IEBWSBKVSA-N 1 0 398.511 2.359 20 0 GEADRO OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC000823713048 607175318 /nfs/dbraw/zinc/17/53/18/607175318.db2.gz CMDZAUCTXZVWIB-WMLDXEAASA-N 1 0 399.886 2.210 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CCSC1 ZINC000821581106 607197149 /nfs/dbraw/zinc/19/71/49/607197149.db2.gz CLPBQFARKPAPKH-OAHLLOKOSA-N 1 0 381.893 2.079 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821586098 607199176 /nfs/dbraw/zinc/19/91/76/607199176.db2.gz JPJNQTVLXCEMRR-ZDUSSCGKSA-N 1 0 393.879 2.095 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)cc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000822723657 607228638 /nfs/dbraw/zinc/22/86/38/607228638.db2.gz JUFPDWAZLJFHKS-LBPRGKRZSA-N 1 0 382.390 2.044 20 0 GEADRO C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)cc3)nc2)CC1 ZINC000821583481 607229886 /nfs/dbraw/zinc/22/98/86/607229886.db2.gz XCKZPGQVSOMPCH-UHFFFAOYSA-N 1 0 378.484 2.404 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC000820648948 607233389 /nfs/dbraw/zinc/23/33/89/607233389.db2.gz GWMWQJMOIKXXRJ-VXGBXAGGSA-N 1 0 391.907 2.401 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820804587 607238027 /nfs/dbraw/zinc/23/80/27/607238027.db2.gz VMRXCUIGSRKYJK-GDBMZVCRSA-N 1 0 384.484 2.109 20 0 GEADRO Cc1ccc(CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000826287011 607814097 /nfs/dbraw/zinc/81/40/97/607814097.db2.gz YVQJBKZFSCKCKC-UHFFFAOYSA-N 1 0 380.452 2.045 20 0 GEADRO 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/nfs/dbraw/zinc/84/90/95/607849095.db2.gz SWJHDULBGVMJGJ-NSHDSACASA-N 1 0 383.909 2.058 20 0 GEADRO C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824487337 607911642 /nfs/dbraw/zinc/91/16/42/607911642.db2.gz ANHZPBIOZGZOBQ-KBXCAEBGSA-N 1 0 383.500 2.301 20 0 GEADRO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000824029105 607925862 /nfs/dbraw/zinc/92/58/62/607925862.db2.gz DCILLKQZNUHEAV-HXUWFJFHSA-N 1 0 377.448 2.204 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826175919 607942860 /nfs/dbraw/zinc/94/28/60/607942860.db2.gz VCSSXFCMCVNFFH-IRXDYDNUSA-N 1 0 399.426 2.201 20 0 GEADRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826406904 607943098 /nfs/dbraw/zinc/94/30/98/607943098.db2.gz SDHYGAPLCBBXFZ-QZTJIDSGSA-N 1 0 396.426 2.142 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000824754576 608011881 /nfs/dbraw/zinc/01/18/81/608011881.db2.gz 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C[N@H+](CCCOc1cccc(Cl)c1)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825923733 608035953 /nfs/dbraw/zinc/03/59/53/608035953.db2.gz TVVTVQWLXLNFHT-UHFFFAOYSA-N 1 0 390.879 2.159 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCC2(CCOC2)CC1 ZINC000824045301 608041842 /nfs/dbraw/zinc/04/18/42/608041842.db2.gz KWFWNSRMSHHILT-GFCCVEGCSA-N 1 0 390.875 2.350 20 0 GEADRO COCC1([N@H+](C)CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)CC1 ZINC000826152914 608043590 /nfs/dbraw/zinc/04/35/90/608043590.db2.gz SXLUQQIXNOWJAW-UHFFFAOYSA-N 1 0 390.513 2.246 20 0 GEADRO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000826179193 608044244 /nfs/dbraw/zinc/04/42/44/608044244.db2.gz DCGNKCROEGQHJS-RDTXWAMCSA-N 1 0 395.463 2.409 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)cc1-c1nn[nH]n1 ZINC000826202506 608057564 /nfs/dbraw/zinc/05/75/64/608057564.db2.gz CCZFWXDYRFOCBB-INIZCTEOSA-N 1 0 396.426 2.300 20 0 GEADRO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC000826188181 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/nfs/dbraw/zinc/23/36/88/608233688.db2.gz RLUZTHKYQYURDP-GOSISDBHSA-N 1 0 393.495 2.496 20 0 GEADRO c1cc2nc(N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)ccc2cc1-c1nn[nH]n1 ZINC000826518416 608234075 /nfs/dbraw/zinc/23/40/75/608234075.db2.gz MWLACLJYUZNDNP-ZWKOTPCHSA-N 1 0 379.468 2.470 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000446222114 649974072 /nfs/dbraw/zinc/97/40/72/649974072.db2.gz MHNISPVZGHFGPU-SWLSCSKDSA-N 1 0 397.317 2.194 20 0 GEADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000825192828 608264164 /nfs/dbraw/zinc/26/41/64/608264164.db2.gz JFGUIRPGHDCKSA-ZIAGYGMSSA-N 1 0 380.456 2.254 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)c(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000826276251 608275009 /nfs/dbraw/zinc/27/50/09/608275009.db2.gz YOSBSUUTVDSKSP-MRXNPFEDSA-N 1 0 378.484 2.193 20 0 GEADRO COc1ccc(C[NH2+][C@H](C)CC(=O)NCCc2ccccc2)cc1-c1nn[nH]n1 ZINC000826202135 608287100 /nfs/dbraw/zinc/28/71/00/608287100.db2.gz PGGOVTMXTQZRCQ-OAHLLOKOSA-N 1 0 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ZINC000825121931 608834360 /nfs/dbraw/zinc/83/43/60/608834360.db2.gz VZDNIBVCGWNPIM-HZPDHXFCSA-N 1 0 378.484 2.361 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824571326 609134702 /nfs/dbraw/zinc/13/47/02/609134702.db2.gz PWOCRSDAYJZKAG-FZMZJTMJSA-N 1 0 375.379 2.235 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824571323 609134963 /nfs/dbraw/zinc/13/49/63/609134963.db2.gz PWOCRSDAYJZKAG-BXUZGUMPSA-N 1 0 375.379 2.235 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824598810 609136555 /nfs/dbraw/zinc/13/65/55/609136555.db2.gz JJDZJDQXQBMYEM-LBPRGKRZSA-N 1 0 375.429 2.130 20 0 GEADRO COc1ccccc1CCC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826219626 609138287 /nfs/dbraw/zinc/13/82/87/609138287.db2.gz KMGVJTGWPYRYTL-UHFFFAOYSA-N 1 0 379.468 2.025 20 0 GEADRO CC[C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825181061 609140666 /nfs/dbraw/zinc/14/06/66/609140666.db2.gz 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GEADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825415899 609195617 /nfs/dbraw/zinc/19/56/17/609195617.db2.gz FMOTYTSIGYWLIM-SFHVURJKSA-N 1 0 380.452 2.381 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000446411223 649979970 /nfs/dbraw/zinc/97/99/70/649979970.db2.gz GAYJWYSQIFOFFF-TZMCWYRMSA-N 1 0 383.290 2.347 20 0 GEADRO C[C@@H](OC(=O)c1cc(-c2nn[nH]n2)cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824723337 609264029 /nfs/dbraw/zinc/26/40/29/609264029.db2.gz PXXOUTBMVCJTCC-ZBFHGGJFSA-N 1 0 380.452 2.273 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C=Cc1cccc(O)c1 ZINC000825866210 609268552 /nfs/dbraw/zinc/26/85/52/609268552.db2.gz STIJWMMDZASIDO-KTKRTIGZSA-N 1 0 392.463 2.176 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000826335029 609281237 /nfs/dbraw/zinc/28/12/37/609281237.db2.gz USKKLZPXNRTAIC-AWEZNQCLSA-N 1 0 390.398 2.095 20 0 GEADRO Cn1cc(CNc2cc(C[NH+](C)C)ccn2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825870630 609302608 /nfs/dbraw/zinc/30/26/08/609302608.db2.gz VWXFPVCPAGUYHM-UHFFFAOYSA-N 1 0 389.467 2.336 20 0 GEADRO COC[C@@H](C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)OC ZINC000826150062 609319886 /nfs/dbraw/zinc/31/98/86/609319886.db2.gz VIHURNKFEADAIY-LJQANCHMSA-N 1 0 383.452 2.197 20 0 GEADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826211102 609325761 /nfs/dbraw/zinc/32/57/61/609325761.db2.gz PIPMPJBLUMADQQ-APPDUMDISA-N 1 0 387.415 2.407 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824569586 609328965 /nfs/dbraw/zinc/32/89/65/609328965.db2.gz JBJUFJXOJIJXHD-FZMZJTMJSA-N 1 0 375.379 2.235 20 0 GEADRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826181303 609336275 /nfs/dbraw/zinc/33/62/75/609336275.db2.gz TXSIGTRVULMYIH-ZMZPIMSZSA-N 1 0 387.415 2.407 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](O)C2CCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360903 609338558 /nfs/dbraw/zinc/33/85/58/609338558.db2.gz CFRPAEDODAXTDB-GOSISDBHSA-N 1 0 381.484 2.298 20 0 GEADRO Cn1cc(C[NH2+]C[C@@](C)(O)c2ccsc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361044 609340255 /nfs/dbraw/zinc/34/02/55/609340255.db2.gz JGEGFCMZZMSFOU-LJQANCHMSA-N 1 0 395.492 2.326 20 0 GEADRO CC(C)[C@@H](O)C1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824200017 609344244 /nfs/dbraw/zinc/34/42/44/609344244.db2.gz OFCPCZNSLMHPNL-GOSISDBHSA-N 1 0 381.484 2.154 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000823820526 609358503 /nfs/dbraw/zinc/35/85/03/609358503.db2.gz GOKSGILYQXGLLQ-ZDUSSCGKSA-N 1 0 394.273 2.214 20 0 GEADRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@H]3CC(=O)N(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1 ZINC000824915527 609367380 /nfs/dbraw/zinc/36/73/80/609367380.db2.gz FTUSHXLSHSEZIP-PSGMQZRDSA-N 1 0 380.452 2.011 20 0 GEADRO O[C@H]1CC[N@H+](Cc2ccccc2CNc2snc(Cl)c2-c2nn[nH]n2)C1 ZINC000826506750 609388498 /nfs/dbraw/zinc/38/84/98/609388498.db2.gz BABZVGAXAPPMOY-LBPRGKRZSA-N 1 0 391.888 2.155 20 0 GEADRO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000826492746 609410586 /nfs/dbraw/zinc/41/05/86/609410586.db2.gz AYOZXLFUVGOYGO-QGZVFWFLSA-N 1 0 398.492 2.273 20 0 GEADRO COc1ccc(C)cc1C[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826190131 609412649 /nfs/dbraw/zinc/41/26/49/609412649.db2.gz QKXMZHNZDHQGLJ-GOSISDBHSA-N 1 0 392.463 2.469 20 0 GEADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(C)C ZINC000826144138 609416784 /nfs/dbraw/zinc/41/67/84/609416784.db2.gz BZUSMVCNSXJNSR-BASLNEPJSA-N 1 0 384.484 2.011 20 0 GEADRO O=C1[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476611 609417511 /nfs/dbraw/zinc/41/75/11/609417511.db2.gz LCUBCBSPLKTTJQ-DOTOQJQBSA-N 1 0 382.468 2.053 20 0 GEADRO OC[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1c(F)cccc1F ZINC000826507615 609425746 /nfs/dbraw/zinc/42/57/46/609425746.db2.gz SBCXSJADDXTYDB-MRXNPFEDSA-N 1 0 375.379 2.237 20 0 GEADRO O=C(CC[NH2+][C@@H](CO)c1ccc(Cl)cc1)Nc1sccc1-c1nn[nH]n1 ZINC000826407514 609428939 /nfs/dbraw/zinc/42/89/39/609428939.db2.gz PREZTENZHOOIIZ-ZDUSSCGKSA-N 1 0 392.872 2.233 20 0 GEADRO CC1CC[NH+](C[C@@H]2CCCN(c3nc4ccccn4c3-c3nn[nH]n3)C2)CC1 ZINC000824953307 609465679 /nfs/dbraw/zinc/46/56/79/609465679.db2.gz DWANAUPOXXFJHA-INIZCTEOSA-N 1 0 380.500 2.463 20 0 GEADRO CN(CCC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)c1cc[nH+]cc1 ZINC000825915230 609467587 /nfs/dbraw/zinc/46/75/87/609467587.db2.gz VMZFSLXKLDKCBB-UHFFFAOYSA-N 1 0 389.463 2.404 20 0 GEADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000824223318 609494038 /nfs/dbraw/zinc/49/40/38/609494038.db2.gz GUBNUYZYRFXLIN-CYBMUJFWSA-N 1 0 395.414 2.272 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1-c1nn[nH]n1 ZINC000824329761 609494072 /nfs/dbraw/zinc/49/40/72/609494072.db2.gz UZTFNEKCMLZKNK-INIZCTEOSA-N 1 0 387.488 2.458 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CCCOC1 ZINC000824531967 609513381 /nfs/dbraw/zinc/51/33/81/609513381.db2.gz SBVNQFUOLOOQHA-GRYCIOLGSA-N 1 0 378.864 2.252 20 0 GEADRO Cc1ccnc(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)c1-c1nn[nH]n1 ZINC000826314602 609555289 /nfs/dbraw/zinc/55/52/89/609555289.db2.gz DSTUIAWYRIKYIT-UHFFFAOYSA-N 1 0 385.501 2.361 20 0 GEADRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCO1 ZINC000824215537 609600685 /nfs/dbraw/zinc/60/06/85/609600685.db2.gz LCZQYEFWVLMIRM-NXHRZFHOSA-N 1 0 384.484 2.155 20 0 GEADRO COC[C@H](C)OC[C@@H](O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000446702968 649986910 /nfs/dbraw/zinc/98/69/10/649986910.db2.gz VZIOJZRQXKMMPA-WFASDCNBSA-N 1 0 376.291 2.302 20 0 GEADRO CN(CC[NH+](C)C)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000447050510 649996083 /nfs/dbraw/zinc/99/60/83/649996083.db2.gz OBYPKPQVUZWUKJ-UHFFFAOYSA-N 1 0 380.290 2.338 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1Br ZINC000447242802 650002956 /nfs/dbraw/zinc/00/29/56/650002956.db2.gz HLHGDJOBEAZPDG-QWRGUYRKSA-N 1 0 377.304 2.206 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)C[C@@H]21 ZINC000447246465 650003295 /nfs/dbraw/zinc/00/32/95/650003295.db2.gz GNJFXPPTLYGXJV-TUKIKUTGSA-N 1 0 378.416 2.376 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000447246849 650003318 /nfs/dbraw/zinc/00/33/18/650003318.db2.gz HNXURQSLISVZND-BDAKNGLRSA-N 1 0 397.722 2.469 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000447252784 650004134 /nfs/dbraw/zinc/00/41/34/650004134.db2.gz TVCITLZZOSEEOV-XVKPBYJWSA-N 1 0 383.695 2.079 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000447252818 650004137 /nfs/dbraw/zinc/00/41/37/650004137.db2.gz UFAXRUNPHHSIRK-WDEREUQCSA-N 1 0 377.304 2.124 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)C[C@@H]1[NH3+] ZINC000447255265 650004237 /nfs/dbraw/zinc/00/42/37/650004237.db2.gz FUHNWYSFWRIUAT-GWCFXTLKSA-N 1 0 384.395 2.071 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000447261431 650004313 /nfs/dbraw/zinc/00/43/13/650004313.db2.gz XMGVCGCLAQDWDL-SECBINFHSA-N 1 0 376.682 2.497 20 0 GEADRO CCc1n[nH]c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1Br ZINC000447550385 650007433 /nfs/dbraw/zinc/00/74/33/650007433.db2.gz HMJZOKKMGHMIGH-LBPRGKRZSA-N 1 0 385.306 2.062 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncc(Br)cc1S(N)(=O)=O ZINC000447819092 650009068 /nfs/dbraw/zinc/00/90/68/650009068.db2.gz WTIMKBRQHVPKOI-LBPRGKRZSA-N 1 0 391.335 2.024 20 0 GEADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000447389881 650006207 /nfs/dbraw/zinc/00/62/07/650006207.db2.gz BMSSBNYTESEQET-RHSMWYFYSA-N 1 0 388.302 2.174 20 0 GEADRO CC(C)N(CCCNC(=O)C[N@H+](C)[C@@H](C)C1CCCCC1)S(C)(=O)=O ZINC000447381825 650006217 /nfs/dbraw/zinc/00/62/17/650006217.db2.gz HXPLEZPORXQION-INIZCTEOSA-N 1 0 375.579 2.063 20 0 GEADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000448135190 650013755 /nfs/dbraw/zinc/01/37/55/650013755.db2.gz RNBVWEPJATVFAQ-LSDHHAIUSA-N 1 0 385.555 2.187 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000449098701 650031595 /nfs/dbraw/zinc/03/15/95/650031595.db2.gz QRBYBSYGVDTZTR-KBPBESRZSA-N 1 0 385.302 2.443 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@@H](O)C(C)C ZINC000449151818 650032907 /nfs/dbraw/zinc/03/29/07/650032907.db2.gz BOMCFCZQMSCZKM-SWLSCSKDSA-N 1 0 387.318 2.459 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000449227062 650034749 /nfs/dbraw/zinc/03/47/49/650034749.db2.gz OAGYWDPQAOFOMB-YGRLFVJLSA-N 1 0 375.252 2.266 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000449308359 650038143 /nfs/dbraw/zinc/03/81/43/650038143.db2.gz WMSYGKHVUAQJNV-GWCFXTLKSA-N 1 0 379.295 2.396 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)[C@@H](C)O1 ZINC000449319034 650038235 /nfs/dbraw/zinc/03/82/35/650038235.db2.gz XPUYWBDNPFLSMS-BZPMIXESSA-N 1 0 391.331 2.273 20 0 GEADRO C[N@H+](Cc1ccnc2c(Br)cccc12)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000449337646 650038916 /nfs/dbraw/zinc/03/89/16/650038916.db2.gz SCENUKKRLPEUOP-ZDUSSCGKSA-N 1 0 398.326 2.463 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](CO)C(C)C ZINC000449322373 650038356 /nfs/dbraw/zinc/03/83/56/650038356.db2.gz XGKXNDGVKUMWFW-GXTWGEPZSA-N 1 0 387.318 2.317 20 0 GEADRO C[C@@H]1CSC[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000449125948 650032284 /nfs/dbraw/zinc/03/22/84/650032284.db2.gz SKOCZSQQYWZCLN-SCDSUCTJSA-N 1 0 393.290 2.372 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)[C@H](C)O1 ZINC000449128029 650032285 /nfs/dbraw/zinc/03/22/85/650032285.db2.gz XKMPBKNRBUZHEY-MPXAEWJHSA-N 1 0 391.249 2.186 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000449132401 650032291 /nfs/dbraw/zinc/03/22/91/650032291.db2.gz UISJLICJCFQISW-SWLSCSKDSA-N 1 0 396.329 2.289 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000449407528 650040037 /nfs/dbraw/zinc/04/00/37/650040037.db2.gz HTHKQRQWKYULSF-LBPRGKRZSA-N 1 0 391.333 2.363 20 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ZINC000453247160 650207356 /nfs/dbraw/zinc/20/73/56/650207356.db2.gz HQBGHTCJRVHAIH-HNNXBMFYSA-N 1 0 375.332 2.251 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000453277353 650207508 /nfs/dbraw/zinc/20/75/08/650207508.db2.gz OAVUHWGPNTYROF-KGLIPLIRSA-N 1 0 394.718 2.229 20 0 GEADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000453340478 650208264 /nfs/dbraw/zinc/20/82/64/650208264.db2.gz BUJFJZSHVNSOGZ-CABCVRRESA-N 1 0 397.317 2.269 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCCC[NH+](C)C)c1Br ZINC000453567704 650209140 /nfs/dbraw/zinc/20/91/40/650209140.db2.gz WJTRISXHQDLSQO-UHFFFAOYSA-N 1 0 376.682 2.417 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000453638206 650211425 /nfs/dbraw/zinc/21/14/25/650211425.db2.gz ZZGNHRATMACIMF-JMSVASOKSA-N 1 0 385.302 2.213 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Br)cnc2C)C[C@H]1C ZINC000453666948 650214033 /nfs/dbraw/zinc/21/40/33/650214033.db2.gz IGWFZIHHNNRFSI-BXUZGUMPSA-N 1 0 397.317 2.422 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C[C@H]1[NH+](C)C ZINC000453684569 650215222 /nfs/dbraw/zinc/21/52/22/650215222.db2.gz ZGMSTZDYQLOUJS-NOZJJQNGSA-N 1 0 388.693 2.450 20 0 GEADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000453718846 650219231 /nfs/dbraw/zinc/21/92/31/650219231.db2.gz OKRIXVLAXLJJHH-UHFFFAOYSA-N 1 0 391.269 2.100 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c1Br ZINC000453754895 650223064 /nfs/dbraw/zinc/22/30/64/650223064.db2.gz OJAPVBOTIMFWNL-VIFPVBQESA-N 1 0 376.682 2.416 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000453768864 650224680 /nfs/dbraw/zinc/22/46/80/650224680.db2.gz ZATLWRRADRLYEC-LBPRGKRZSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000453772827 650225152 /nfs/dbraw/zinc/22/51/52/650225152.db2.gz YUPQWGKYMAVZGA-LLVKDONJSA-N 1 0 395.301 2.034 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000453808670 650228362 /nfs/dbraw/zinc/22/83/62/650228362.db2.gz RYEVGBFUIAIRDC-JTQLQIEISA-N 1 0 392.258 2.034 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1Cl ZINC000453812747 650228401 /nfs/dbraw/zinc/22/84/01/650228401.db2.gz ANYDHBNZWAEQDN-GFCCVEGCSA-N 1 0 388.295 2.203 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000454118284 650255425 /nfs/dbraw/zinc/25/54/25/650255425.db2.gz YURBQMOUSIOLMU-LBPRGKRZSA-N 1 0 386.265 2.468 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(c4ccccc4Br)C3)C[C@@H]21 ZINC000454488301 650267795 /nfs/dbraw/zinc/26/77/95/650267795.db2.gz QBQPTGNYCNMXMF-KEYYUXOJSA-N 1 0 393.329 2.373 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NC/C=C\c2ccc(Br)cc2)C1 ZINC000454540798 650269069 /nfs/dbraw/zinc/26/90/69/650269069.db2.gz JYFSCINBZVNFQR-YPQKKHBXSA-N 1 0 382.302 2.482 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454567537 650269913 /nfs/dbraw/zinc/26/99/13/650269913.db2.gz QBZFJKLNZJXJLF-UHFFFAOYSA-N 1 0 387.933 2.287 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000455000622 650286374 /nfs/dbraw/zinc/28/63/74/650286374.db2.gz NLKYLJMDKJZTSN-UHFFFAOYSA-N 1 0 377.329 2.235 20 0 GEADRO Cc1csc([C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C(F)(F)F)n1 ZINC000455689173 650312741 /nfs/dbraw/zinc/31/27/41/650312741.db2.gz SYWZPFQGODAOIC-LLVKDONJSA-N 1 0 380.436 2.153 20 0 GEADRO C[C@@H](CNC(=O)Nc1nnc2ccc(Br)cn21)[NH+]1CCC(C)CC1 ZINC000455754396 650316545 /nfs/dbraw/zinc/31/65/45/650316545.db2.gz KXTUNJVGVDRGGG-LBPRGKRZSA-N 1 0 395.305 2.734 20 0 GEADRO C[C@@H](CNC(=O)Nc1nnc2ccc(Br)cn21)C[NH+]1CCCCC1 ZINC000455763208 650317155 /nfs/dbraw/zinc/31/71/55/650317155.db2.gz QKHLTPWGYBHIPB-LBPRGKRZSA-N 1 0 395.305 2.735 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000455810159 650319147 /nfs/dbraw/zinc/31/91/47/650319147.db2.gz UWGSGIQCWLMZHQ-LLVKDONJSA-N 1 0 385.306 2.461 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000455811834 650319154 /nfs/dbraw/zinc/31/91/54/650319154.db2.gz XBCODJLODUGMOY-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(I)cn1 ZINC000455850201 650321686 /nfs/dbraw/zinc/32/16/86/650321686.db2.gz REHXZETZGHUBAX-QWHCGFSZSA-N 1 0 385.249 2.385 20 0 GEADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(I)cn2)C1 ZINC000455906592 650325570 /nfs/dbraw/zinc/32/55/70/650325570.db2.gz GBEKRULHIBAKQM-GFCCVEGCSA-N 1 0 387.265 2.394 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000456105822 650330724 /nfs/dbraw/zinc/33/07/24/650330724.db2.gz NGDHLNGVQYMBTI-XFJVYGCCSA-N 1 0 385.302 2.147 20 0 GEADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(I)cn1 ZINC000456019120 650327643 /nfs/dbraw/zinc/32/76/43/650327643.db2.gz GSLSKQZOPXFCBF-CYBMUJFWSA-N 1 0 385.249 2.433 20 0 GEADRO C[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc32)C[C@H](C)[N@H+]1CCO ZINC000456222994 650334477 /nfs/dbraw/zinc/33/44/77/650334477.db2.gz JKTLFKYLWQBSES-TXEJJXNPSA-N 1 0 380.286 2.458 20 0 GEADRO COC(=O)CCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456383979 650338598 /nfs/dbraw/zinc/33/85/98/650338598.db2.gz ZDRVKAZBISORGH-GFCCVEGCSA-N 1 0 398.301 2.481 20 0 GEADRO CC(=O)N[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456383065 650338734 /nfs/dbraw/zinc/33/87/34/650338734.db2.gz YBKOHRFRGRPBHU-RYUDHWBXSA-N 1 0 397.317 2.053 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000457056340 650373298 /nfs/dbraw/zinc/37/32/98/650373298.db2.gz TWGKCPMMSXJURR-UHFFFAOYSA-N 1 0 396.285 2.384 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(Cl)c1OC ZINC000500548872 650380218 /nfs/dbraw/zinc/38/02/18/650380218.db2.gz WESWDLZTRYHYJX-OCCSQVGLSA-N 1 0 376.906 2.165 20 0 GEADRO C[C@H]1CCN(C(=O)COc2ccc(I)cc2)[C@@H](C)[C@H]1[NH3+] ZINC000457361882 650376415 /nfs/dbraw/zinc/37/64/15/650376415.db2.gz LAXMAAZPFBFVCH-PGUXBMHVSA-N 1 0 388.249 2.254 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000457381227 650377147 /nfs/dbraw/zinc/37/71/47/650377147.db2.gz QEIVTTSTLJUZSE-RKDXNWHRSA-N 1 0 389.091 2.288 20 0 GEADRO COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000500459902 650377612 /nfs/dbraw/zinc/37/76/12/650377612.db2.gz IBLDGUAZCDFMNG-RISCZKNCSA-N 1 0 378.441 2.104 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c(OC(F)F)c1 ZINC000500461825 650377867 /nfs/dbraw/zinc/37/78/67/650377867.db2.gz OPLONOCROAKASN-FZMZJTMJSA-N 1 0 378.441 2.104 20 0 GEADRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000500467691 650378302 /nfs/dbraw/zinc/37/83/02/650378302.db2.gz UOSATSSURCIWRE-HUUCEWRRSA-N 1 0 385.302 2.179 20 0 GEADRO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1OC(F)F ZINC000500496929 650379535 /nfs/dbraw/zinc/37/95/35/650379535.db2.gz JHOLSQWNDOWTFB-YPMHNXCESA-N 1 0 378.441 2.104 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C(C)(C)C1 ZINC000500509499 650379907 /nfs/dbraw/zinc/37/99/07/650379907.db2.gz YULWAPDTGBYQLB-HNNXBMFYSA-N 1 0 394.313 2.355 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000500570356 650380699 /nfs/dbraw/zinc/38/06/99/650380699.db2.gz LVNHLBHJFMZHJG-RISCZKNCSA-N 1 0 379.295 2.396 20 0 GEADRO CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H](C)CS(=O)(=O)CC ZINC000500829984 650383351 /nfs/dbraw/zinc/38/33/51/650383351.db2.gz UNUFKQVVTUDJFS-QGZVFWFLSA-N 1 0 375.579 2.353 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000500851358 650383595 /nfs/dbraw/zinc/38/35/95/650383595.db2.gz GHNOXRTZLVMQSZ-KBPBESRZSA-N 1 0 396.329 2.416 20 0 GEADRO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000501342627 650390284 /nfs/dbraw/zinc/39/02/84/650390284.db2.gz QOBQMMUQCXTJPD-ZFWWWQNUSA-N 1 0 387.318 2.472 20 0 GEADRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000501543808 650394704 /nfs/dbraw/zinc/39/47/04/650394704.db2.gz AYADCBSRHFZSGE-CZUORRHYSA-N 1 0 396.329 2.415 20 0 GEADRO CC(C)[C@H](C(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000458130372 650396876 /nfs/dbraw/zinc/39/68/76/650396876.db2.gz FXWWXEBKIOIKRI-XJKSGUPXSA-N 1 0 389.309 2.442 20 0 GEADRO O=C(NC/C=C\c1ccc(Br)cc1)NCC1CC[NH+](CCO)CC1 ZINC000458367234 650401145 /nfs/dbraw/zinc/40/11/45/650401145.db2.gz CTSHJLSQLCHWQG-UPHRSURJSA-N 1 0 396.329 2.466 20 0 GEADRO CCC[NH+]1CCC(NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000502128515 650401309 /nfs/dbraw/zinc/40/13/09/650401309.db2.gz SLDRYRCBOVJVOG-UHFFFAOYSA-N 1 0 387.933 2.287 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)c2csc(S(C)(=O)=O)c2)cc1F ZINC000458300414 650399780 /nfs/dbraw/zinc/39/97/80/650399780.db2.gz UQLWSRZHLPEPKM-UHFFFAOYSA-N 1 0 386.470 2.483 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000502007590 650400212 /nfs/dbraw/zinc/40/02/12/650400212.db2.gz MFGWPCCGJOKCJJ-ZIAGYGMSSA-N 1 0 388.339 2.039 20 0 GEADRO C[C@@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[S@@]1=O ZINC000458378732 650401402 /nfs/dbraw/zinc/40/14/02/650401402.db2.gz GFTJOWDAFNMRQL-CPJLOUKISA-N 1 0 387.615 2.291 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1nc(C(F)(F)F)cs1 ZINC000458722274 650409150 /nfs/dbraw/zinc/40/91/50/650409150.db2.gz OEUZHVGMLJSBQC-GHMZBOCLSA-N 1 0 380.436 2.369 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000502205066 650403176 /nfs/dbraw/zinc/40/31/76/650403176.db2.gz IERRWWFLVAOPPK-UHFFFAOYSA-N 1 0 382.507 2.287 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000458550581 650405258 /nfs/dbraw/zinc/40/52/58/650405258.db2.gz UZWCAWAVBLOGAP-SOUVJXGZSA-N 1 0 398.345 2.477 20 0 GEADRO C[C@@H](CNC(=O)NCc1ccc(Br)cc1N1CCOCC1)[NH+](C)C ZINC000458569990 650405570 /nfs/dbraw/zinc/40/55/70/650405570.db2.gz QAORBZZATMDHFJ-ZDUSSCGKSA-N 1 0 399.333 2.035 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000502494166 650407283 /nfs/dbraw/zinc/40/72/83/650407283.db2.gz MFGWDYAPSRZDTG-GUTXKFCHSA-N 1 0 379.423 2.046 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000502538469 650408143 /nfs/dbraw/zinc/40/81/43/650408143.db2.gz AQKKQPAEKYNMKH-FMKPAKJESA-N 1 0 391.339 2.258 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc(Br)c(F)c3)[C@H]2C1 ZINC000502599518 650408896 /nfs/dbraw/zinc/40/88/96/650408896.db2.gz BBLDFUMGOFSSGS-JKSUJKDBSA-N 1 0 385.277 2.452 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(C)c2Br)C[C@@H]1[NH+](C)C ZINC000503218550 650416201 /nfs/dbraw/zinc/41/62/01/650416201.db2.gz DAIPPILKKUGQDZ-NWDGAFQWSA-N 1 0 393.372 2.424 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1[NH+](C)C ZINC000503220956 650416230 /nfs/dbraw/zinc/41/62/30/650416230.db2.gz RNNNMRFPVJAPCF-CABCVRRESA-N 1 0 395.953 2.133 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000459022149 650417336 /nfs/dbraw/zinc/41/73/36/650417336.db2.gz NDMIURGYQKUQBU-UHFFFAOYSA-N 1 0 386.338 2.446 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000459029530 650417397 /nfs/dbraw/zinc/41/73/97/650417397.db2.gz RAVGQAMREKVWFU-HNNXBMFYSA-N 1 0 398.280 2.424 20 0 GEADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000503445026 650417646 /nfs/dbraw/zinc/41/76/46/650417646.db2.gz BBYDPOJMXDTTTB-LSDHHAIUSA-N 1 0 381.567 2.296 20 0 GEADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000503454851 650418062 /nfs/dbraw/zinc/41/80/62/650418062.db2.gz AEYDOXKKBNNUFY-HZPDHXFCSA-N 1 0 385.555 2.139 20 0 GEADRO C[C@H](O)C[NH+]1CCN(Cc2ccc(I)cc2Cl)CC1 ZINC000503576753 650420278 /nfs/dbraw/zinc/42/02/78/650420278.db2.gz HJUASOCPFXJXKV-NSHDSACASA-N 1 0 394.684 2.443 20 0 GEADRO Cc1cc(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccc1Br ZINC000459168869 650420517 /nfs/dbraw/zinc/42/05/17/650420517.db2.gz GHZIWTNLQHWCIH-OAHLLOKOSA-N 1 0 384.318 2.404 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000503670632 650421169 /nfs/dbraw/zinc/42/11/69/650421169.db2.gz GCYSOGPXNHLWGG-UHFFFAOYSA-N 1 0 384.318 2.086 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N(CC[NH+](C)C)Cc2ccco2)n1 ZINC000459007192 650416807 /nfs/dbraw/zinc/41/68/07/650416807.db2.gz FRDHWPYEGAAWFF-UHFFFAOYSA-N 1 0 384.278 2.049 20 0 GEADRO C[C@@H]1NC(=O)N(CC[N@H+](C)CC2(c3ccc(Br)cc3)CC2)C1=O ZINC000459349542 650423243 /nfs/dbraw/zinc/42/32/43/650423243.db2.gz XPBNOHUCHYPPDE-LBPRGKRZSA-N 1 0 380.286 2.353 20 0 GEADRO COC(=O)CC1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000459385123 650423580 /nfs/dbraw/zinc/42/35/80/650423580.db2.gz FQOVGHCRTMGXHQ-ZDUSSCGKSA-N 1 0 390.249 2.403 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ncc(Br)cc1S(N)(=O)=O ZINC000504041728 650426031 /nfs/dbraw/zinc/42/60/31/650426031.db2.gz KJOIJQWHUKZRNI-QWRGUYRKSA-N 1 0 391.335 2.166 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@H]1SC ZINC000459518554 650426955 /nfs/dbraw/zinc/42/69/55/650426955.db2.gz CJCFOUADXADLOA-UMVBOHGHSA-N 1 0 396.937 2.256 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1O ZINC000504138621 650427783 /nfs/dbraw/zinc/42/77/83/650427783.db2.gz OHLSZDOXDULUCU-GFCCVEGCSA-N 1 0 385.302 2.001 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H]1SC ZINC000459543544 650428034 /nfs/dbraw/zinc/42/80/34/650428034.db2.gz MOMIBZWMQJRKQJ-UMVBOHGHSA-N 1 0 396.937 2.256 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459700145 650429905 /nfs/dbraw/zinc/42/99/05/650429905.db2.gz MNOUVJKFVDMGBI-DGCLKSJQSA-N 1 0 396.322 2.152 20 0 GEADRO O=C(NCc1nc(C[NH2+]C2(CO)CCSCC2)cs1)c1ccccc1 ZINC000459706478 650430626 /nfs/dbraw/zinc/43/06/26/650430626.db2.gz VPZBUELKURSOKG-UHFFFAOYSA-N 1 0 377.535 2.421 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(Br)cc(N(C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000504415764 650430941 /nfs/dbraw/zinc/43/09/41/650430941.db2.gz KWXVCLQBLHKQJX-ZDUSSCGKSA-N 1 0 398.345 2.432 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)cc(N(C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000504415763 650430958 /nfs/dbraw/zinc/43/09/58/650430958.db2.gz KWXVCLQBLHKQJX-CYBMUJFWSA-N 1 0 398.345 2.432 20 0 GEADRO Cn1nccc1[C@H](CO)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000459724035 650431568 /nfs/dbraw/zinc/43/15/68/650431568.db2.gz WGJFOXAPDFSJCV-KRWDZBQOSA-N 1 0 393.329 2.470 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000459916221 650435361 /nfs/dbraw/zinc/43/53/61/650435361.db2.gz IHAFQAIZUQRALK-MRXNPFEDSA-N 1 0 396.329 2.350 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000459860439 650434223 /nfs/dbraw/zinc/43/42/23/650434223.db2.gz YGDWEVQCIYRKDV-MRXNPFEDSA-N 1 0 396.329 2.350 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1cccc(Br)c1 ZINC000460136520 650439614 /nfs/dbraw/zinc/43/96/14/650439614.db2.gz BXCQQCUKIYRACH-UHFFFAOYSA-N 1 0 385.350 2.474 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000460267101 650440978 /nfs/dbraw/zinc/44/09/78/650440978.db2.gz DQNPBIBUCMPKQP-KRWDZBQOSA-N 1 0 384.318 2.093 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)NCC[N@@H+]1CCCOCC1 ZINC000506038902 650442927 /nfs/dbraw/zinc/44/29/27/650442927.db2.gz RKPSWKWXJZUKAG-UHFFFAOYSA-N 1 0 377.229 2.108 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(Br)c1Cl ZINC000506349546 650444186 /nfs/dbraw/zinc/44/41/86/650444186.db2.gz PZKPHGWJGAQFNW-GFCCVEGCSA-N 1 0 388.693 2.172 20 0 GEADRO CCc1ncc(S(=O)(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)s1 ZINC000460928066 650448314 /nfs/dbraw/zinc/44/83/14/650448314.db2.gz AEJCMAFVQNVPGE-UHFFFAOYSA-N 1 0 389.587 2.465 20 0 GEADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000506935981 650452206 /nfs/dbraw/zinc/45/22/06/650452206.db2.gz FBHHJOILXWBUIO-LBPRGKRZSA-N 1 0 398.301 2.279 20 0 GEADRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccccc1I ZINC000507484047 650461267 /nfs/dbraw/zinc/46/12/67/650461267.db2.gz SDKRNYJOXGMIDI-SNVBAGLBSA-N 1 0 384.221 2.095 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C3CC3)ccc2s1 ZINC000461899396 650462293 /nfs/dbraw/zinc/46/22/93/650462293.db2.gz JHMNSUYNIYOXHU-AWEZNQCLSA-N 1 0 382.507 2.436 20 0 GEADRO Cc1nc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)sc1C ZINC000507524920 650462312 /nfs/dbraw/zinc/46/23/12/650462312.db2.gz FEDPXZUBTXHXAE-UHFFFAOYSA-N 1 0 380.539 2.028 20 0 GEADRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000462040370 650464838 /nfs/dbraw/zinc/46/48/38/650464838.db2.gz RFWCRMFLIJDSBC-HIFRSBDPSA-N 1 0 396.329 2.256 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000462293754 650473672 /nfs/dbraw/zinc/47/36/72/650473672.db2.gz VMMJWSOJMTXDRS-OAHLLOKOSA-N 1 0 386.901 2.376 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462390793 650477691 /nfs/dbraw/zinc/47/76/91/650477691.db2.gz HBGDDUIGDXKJPA-KSSFIOAISA-N 1 0 380.330 2.481 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cnn1-c1ccc(Cl)cc1 ZINC000462418189 650478551 /nfs/dbraw/zinc/47/85/51/650478551.db2.gz OXSYGHJFEDSPDM-KRWDZBQOSA-N 1 0 380.901 2.208 20 0 GEADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Br)cn2)c1 ZINC000462422108 650478656 /nfs/dbraw/zinc/47/86/56/650478656.db2.gz MCNBRWKUIXULIR-UHFFFAOYSA-N 1 0 384.299 2.384 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+](C)Cc2ccccc2)cs1 ZINC000462484013 650481670 /nfs/dbraw/zinc/48/16/70/650481670.db2.gz OZDNKUDRQOAHEM-UHFFFAOYSA-N 1 0 382.507 2.335 20 0 GEADRO CSC1(CNC(=O)N2CCCN(CC(F)(F)F)CC2)CC[NH+](C)CC1 ZINC000462501599 650481946 /nfs/dbraw/zinc/48/19/46/650481946.db2.gz FEGKRZAJLSKFHP-UHFFFAOYSA-N 1 0 382.496 2.093 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cs1 ZINC000462508383 650482302 /nfs/dbraw/zinc/48/23/02/650482302.db2.gz WANWCEXQZZSUIJ-UHFFFAOYSA-N 1 0 386.539 2.421 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cncc(Br)c1 ZINC000462568551 650484504 /nfs/dbraw/zinc/48/45/04/650484504.db2.gz FDEUDXLNIXGCTI-CQSZACIVSA-N 1 0 388.331 2.387 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)C1 ZINC000462576804 650484802 /nfs/dbraw/zinc/48/48/02/650484802.db2.gz QFKVLLIAQNNLIG-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO COCCN1CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000462835024 650490713 /nfs/dbraw/zinc/49/07/13/650490713.db2.gz CUVMGFOSBYYICU-RHSMWYFYSA-N 1 0 396.329 2.173 20 0 GEADRO CSc1cccc(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000509205134 650489874 /nfs/dbraw/zinc/48/98/74/650489874.db2.gz ZZONBRCJEAMRIU-QAPCUYQASA-N 1 0 383.583 2.055 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000462758792 650490254 /nfs/dbraw/zinc/49/02/54/650490254.db2.gz XECLSFAJBKHYCH-UHFFFAOYSA-N 1 0 381.885 2.432 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462881980 650492031 /nfs/dbraw/zinc/49/20/31/650492031.db2.gz BPOXNMGRUYQJRY-JKSUJKDBSA-N 1 0 394.313 2.073 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000463324455 650493143 /nfs/dbraw/zinc/49/31/43/650493143.db2.gz HPEJEVKVKWRWER-QWRGUYRKSA-N 1 0 386.290 2.087 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509357756 650493992 /nfs/dbraw/zinc/49/39/92/650493992.db2.gz UOFJFUPOAUSWOD-CQSZACIVSA-N 1 0 380.432 2.403 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cccc(Cl)c2C)CC1 ZINC000509565021 650496233 /nfs/dbraw/zinc/49/62/33/650496233.db2.gz YLTLGMVNGHJXEB-UHFFFAOYSA-N 1 0 388.917 2.202 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1sc(S(N)(=O)=O)cc1C)c1ccco1 ZINC000509944949 650504032 /nfs/dbraw/zinc/50/40/32/650504032.db2.gz STYMFDBTZYEQCF-GFCCVEGCSA-N 1 0 385.511 2.110 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000509876144 650502172 /nfs/dbraw/zinc/50/21/72/650502172.db2.gz CDCHSASAKYULBG-LLVKDONJSA-N 1 0 395.308 2.495 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000510518440 650513120 /nfs/dbraw/zinc/51/31/20/650513120.db2.gz PGUTYYVGIKTCIM-UHFFFAOYSA-N 1 0 387.933 2.326 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)NCc1cc(F)c(F)cc1Br ZINC000510741873 650518362 /nfs/dbraw/zinc/51/83/62/650518362.db2.gz RNZPIORSZILZCI-UHFFFAOYSA-N 1 0 385.212 2.456 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cncc(Br)c1 ZINC000470613388 650514249 /nfs/dbraw/zinc/51/42/49/650514249.db2.gz QFRXBZZPOXWWNA-FRRDWIJNSA-N 1 0 390.347 2.489 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000510767310 650518633 /nfs/dbraw/zinc/51/86/33/650518633.db2.gz RMGISZYRPBZPMD-QWHCGFSZSA-N 1 0 384.527 2.181 20 0 GEADRO COc1ccc(C(=O)NCCCC[NH+](C)C)c(I)c1 ZINC000472063796 650519327 /nfs/dbraw/zinc/51/93/27/650519327.db2.gz FWOJMGIQYONYSY-UHFFFAOYSA-N 1 0 376.238 2.371 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000510808134 650519635 /nfs/dbraw/zinc/51/96/35/650519635.db2.gz FFUDXBZVGUFSEP-MAZHCROVSA-N 1 0 387.933 2.425 20 0 GEADRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)[N@@H+]1CCCC[C@H]1C ZINC000510820277 650519718 /nfs/dbraw/zinc/51/97/18/650519718.db2.gz IOZIQXADMMTUNS-VXGBXAGGSA-N 1 0 393.962 2.059 20 0 GEADRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510927168 650521128 /nfs/dbraw/zinc/52/11/28/650521128.db2.gz GQLAFEZJAWFBGK-AWEZNQCLSA-N 1 0 386.880 2.158 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](CCO)CC1CC1 ZINC000510971683 650522307 /nfs/dbraw/zinc/52/23/07/650522307.db2.gz VIKQBMKYKBSESY-LLVKDONJSA-N 1 0 388.249 2.323 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000474110044 650528003 /nfs/dbraw/zinc/52/80/03/650528003.db2.gz LEVIDUBQYNGLKJ-UHFFFAOYSA-N 1 0 397.360 2.242 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000475265796 650530344 /nfs/dbraw/zinc/53/03/44/650530344.db2.gz BRIDOFLFHPZKMT-WDEREUQCSA-N 1 0 386.265 2.434 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cn2ccc(Br)cc2n1 ZINC000511432361 650537071 /nfs/dbraw/zinc/53/70/71/650537071.db2.gz XFBIUQKJCPUCBW-AWEZNQCLSA-N 1 0 395.301 2.280 20 0 GEADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511586023 650539148 /nfs/dbraw/zinc/53/91/48/650539148.db2.gz FBOBXDWDXLCGFL-ZDUSSCGKSA-N 1 0 383.208 2.267 20 0 GEADRO O=C1CCCCN1CCC[NH2+]Cc1ncc(I)s1 ZINC000512067857 650544770 /nfs/dbraw/zinc/54/47/70/650544770.db2.gz OBHNESAQQYTZKK-UHFFFAOYSA-N 1 0 379.267 2.240 20 0 GEADRO OCC[C@@H]([NH2+]Cc1ncc(I)s1)C1CCOCC1 ZINC000511989363 650543715 /nfs/dbraw/zinc/54/37/15/650543715.db2.gz LGFRTLIUIWHAAJ-SNVBAGLBSA-N 1 0 382.267 2.015 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@@H](C)C[N@@H+]1C ZINC000512083710 650545068 /nfs/dbraw/zinc/54/50/68/650545068.db2.gz LOGKIJWFHFHGES-HZSPNIEDSA-N 1 0 394.313 2.353 20 0 GEADRO COc1cc(C(=O)NCCNc2cc[nH+]cc2)cc(OC)c1Br ZINC000512016243 650543929 /nfs/dbraw/zinc/54/39/29/650543929.db2.gz PKEHKUHZCDNWMV-UHFFFAOYSA-N 1 0 380.242 2.125 20 0 GEADRO C[S@@](=O)c1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000512536111 650550177 /nfs/dbraw/zinc/55/01/77/650550177.db2.gz GKGWMZJNXKVNAP-IZHWHUGBSA-N 1 0 398.575 2.286 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000512102835 650545552 /nfs/dbraw/zinc/54/55/52/650545552.db2.gz CRIZWFVDIKIKDR-VXGBXAGGSA-N 1 0 378.274 2.194 20 0 GEADRO OCC1([NH2+]C[C@H](O)COc2ccc(Br)cc2)Cc2ccccc2C1 ZINC000512330779 650546568 /nfs/dbraw/zinc/54/65/68/650546568.db2.gz GFTQUVLYFNJTNQ-KRWDZBQOSA-N 1 0 392.293 2.308 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512364966 650546864 /nfs/dbraw/zinc/54/68/64/650546864.db2.gz PKRITBCHFHYJQI-DZGCQCFKSA-N 1 0 385.302 2.179 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(O)ccc1Br ZINC000512849797 650555134 /nfs/dbraw/zinc/55/51/34/650555134.db2.gz GVWJWTFGHVCQEW-ABAIWWIYSA-N 1 0 391.331 2.352 20 0 GEADRO CCN1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000512869185 650555332 /nfs/dbraw/zinc/55/53/32/650555332.db2.gz OPAUNXPTYHKNHH-AAEUAGOBSA-N 1 0 380.341 2.202 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c(SC)cc1OC ZINC000512988959 650555749 /nfs/dbraw/zinc/55/57/49/650555749.db2.gz NJQRNIDBHPCJII-CQSZACIVSA-N 1 0 388.555 2.329 20 0 GEADRO FC(F)(F)[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)N1CCOCC1 ZINC000512982129 650555899 /nfs/dbraw/zinc/55/58/99/650555899.db2.gz BOCRVKZGLRHLQV-CQSZACIVSA-N 1 0 380.794 2.464 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnn2ccccc12 ZINC000513011386 650556260 /nfs/dbraw/zinc/55/62/60/650556260.db2.gz FERBPZVTBLBXAM-UHFFFAOYSA-N 1 0 378.885 2.364 20 0 GEADRO COC(=O)c1nscc1S(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000476636150 650556409 /nfs/dbraw/zinc/55/64/09/650556409.db2.gz NIVZQCBGZGGDEU-UHFFFAOYSA-N 1 0 389.543 2.253 20 0 GEADRO COc1sc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1Br ZINC000513026385 650556642 /nfs/dbraw/zinc/55/66/42/650556642.db2.gz BMTYVPVNCOJMDN-SNVBAGLBSA-N 1 0 397.360 2.423 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2cncs2)c1 ZINC000513060254 650557321 /nfs/dbraw/zinc/55/73/21/650557321.db2.gz ZEAHERCPRJVAHX-UHFFFAOYSA-N 1 0 390.328 2.282 20 0 GEADRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ncc(CN(C)C)s2)s1 ZINC000513090498 650557568 /nfs/dbraw/zinc/55/75/68/650557568.db2.gz UWKLJDDENMYNLX-WDEREUQCSA-N 1 0 382.559 2.372 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C[C@H](C)[N@H+]1C ZINC000513164642 650559249 /nfs/dbraw/zinc/55/92/49/650559249.db2.gz IMJSMCPMHZWTJK-HZSPNIEDSA-N 1 0 394.313 2.353 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccccc2Br)[C@H](C)C1 ZINC000476855924 650561336 /nfs/dbraw/zinc/56/13/36/650561336.db2.gz UEVIQAIEUONDAO-KGLIPLIRSA-N 1 0 385.302 2.132 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000476870350 650561839 /nfs/dbraw/zinc/56/18/39/650561839.db2.gz UTCLFUONXGVVDJ-OAHLLOKOSA-N 1 0 385.339 2.326 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cnn(CC(F)F)c1)c1ccccc1Cl ZINC000513456170 650563254 /nfs/dbraw/zinc/56/32/54/650563254.db2.gz OWONKAAVZABNTO-UHFFFAOYSA-N 1 0 392.859 2.260 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000477083501 650567808 /nfs/dbraw/zinc/56/78/08/650567808.db2.gz PXQSQBOXFLWDDT-AWEZNQCLSA-N 1 0 398.345 2.297 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1cc(I)ccc1C ZINC000477115002 650568984 /nfs/dbraw/zinc/56/89/84/650568984.db2.gz CRSJTVSSEDETEA-UHFFFAOYSA-N 1 0 390.265 2.250 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)CCCOc1ccc(I)cc1 ZINC000477183824 650570847 /nfs/dbraw/zinc/57/08/47/650570847.db2.gz ADICKWDUXUSFSZ-LLVKDONJSA-N 1 0 376.238 2.304 20 0 GEADRO COc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1I ZINC000477239730 650572896 /nfs/dbraw/zinc/57/28/96/650572896.db2.gz KBKKCIVIGXORRU-JTQLQIEISA-N 1 0 376.238 2.370 20 0 GEADRO COC1(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]CC1 ZINC000514604627 650574937 /nfs/dbraw/zinc/57/49/37/650574937.db2.gz HDPBJYIVOVEZTB-UHFFFAOYSA-N 1 0 380.798 2.051 20 0 GEADRO COc1ccc(I)c(NC(=O)C2(OC)CC[NH2+]CC2)c1 ZINC000514605494 650574986 /nfs/dbraw/zinc/57/49/86/650574986.db2.gz OZBDFGLWMUVRPW-UHFFFAOYSA-N 1 0 390.221 2.007 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000477499532 650575045 /nfs/dbraw/zinc/57/50/45/650575045.db2.gz OGYRRYXAJNRDHV-INIZCTEOSA-N 1 0 395.345 2.373 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000514661443 650576021 /nfs/dbraw/zinc/57/60/21/650576021.db2.gz ILEAYCKHFDLDKY-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO CN(C(=O)Nc1cc(Br)ccc1N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000514782064 650578995 /nfs/dbraw/zinc/57/89/95/650578995.db2.gz OOHOVXQIEJOVHD-ZDUSSCGKSA-N 1 0 383.290 2.111 20 0 GEADRO CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000514949334 650584219 /nfs/dbraw/zinc/58/42/19/650584219.db2.gz IPNCVHSGCFHXOC-IKGGRYGDSA-N 1 0 388.599 2.018 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCCC[NH2+]3)C2=O)ccc1Br ZINC000514939436 650584254 /nfs/dbraw/zinc/58/42/54/650584254.db2.gz LDRWHIQNWBIIAN-LSDHHAIUSA-N 1 0 380.286 2.121 20 0 GEADRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)CCC2 ZINC000515013489 650584553 /nfs/dbraw/zinc/58/45/53/650584553.db2.gz GIADIUKTXIUZCM-KGLIPLIRSA-N 1 0 386.587 2.333 20 0 GEADRO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+]CCNS(C)(=O)=O ZINC000478377453 650584673 /nfs/dbraw/zinc/58/46/73/650584673.db2.gz ZJSXLPBHIZXGJI-UHFFFAOYSA-N 1 0 384.933 2.462 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH+](C[C@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000515126103 650586884 /nfs/dbraw/zinc/58/68/84/650586884.db2.gz XANOIKQYJCSXCN-QZTJIDSGSA-N 1 0 376.563 2.098 20 0 GEADRO CSC1(CNC(=O)c2cn(-c3ccccc3Cl)nn2)CC[NH+](C)CC1 ZINC000515160652 650587914 /nfs/dbraw/zinc/58/79/14/650587914.db2.gz WWXXYEYENRXZDI-UHFFFAOYSA-N 1 0 379.917 2.478 20 0 GEADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000515165147 650587985 /nfs/dbraw/zinc/58/79/85/650587985.db2.gz ZULFWZPQPSCTGU-BZNIZROVSA-N 1 0 382.291 2.089 20 0 GEADRO COc1ccc(Cl)cc1C1(C[NH2+]C[C@H](C)S(C)(=O)=O)CCOCC1 ZINC000515207824 650589480 /nfs/dbraw/zinc/58/94/80/650589480.db2.gz SXMCFBKKDHJSGH-ZDUSSCGKSA-N 1 0 375.918 2.420 20 0 GEADRO CCCN(CC1CC1)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000515208758 650589573 /nfs/dbraw/zinc/58/95/73/650589573.db2.gz NFLBIJOLQWTFJZ-UHFFFAOYSA-N 1 0 375.604 2.304 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CCO1 ZINC000478727137 650590789 /nfs/dbraw/zinc/59/07/89/650590789.db2.gz SPMMFTQSADSKJV-OAHLLOKOSA-N 1 0 392.253 2.436 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000479079355 650595881 /nfs/dbraw/zinc/59/58/81/650595881.db2.gz QBHQMKSZAQBRFF-MLGOLLRUSA-N 1 0 384.307 2.205 20 0 GEADRO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000479197079 650598580 /nfs/dbraw/zinc/59/85/80/650598580.db2.gz XXXGFMASPANDTB-CQSZACIVSA-N 1 0 381.318 2.375 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000516555226 650598677 /nfs/dbraw/zinc/59/86/77/650598677.db2.gz QWAXEUWBOKRQQP-AWEZNQCLSA-N 1 0 386.265 2.251 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccnc3-n3cc(Br)cn3)[C@@H]2C1 ZINC000516763057 650601285 /nfs/dbraw/zinc/60/12/85/650601285.db2.gz BBMZKHRUDFCDDS-SWLSCSKDSA-N 1 0 390.285 2.196 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)COc1ncccc1Br ZINC000517019571 650601639 /nfs/dbraw/zinc/60/16/39/650601639.db2.gz QFBFGPBIOZGCMA-DGCLKSJQSA-N 1 0 385.306 2.299 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000517038257 650601884 /nfs/dbraw/zinc/60/18/84/650601884.db2.gz QNWXTDNNZPTFHZ-VVLHAWIVSA-N 1 0 384.929 2.115 20 0 GEADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@H]1C[NH2+]CCC1(F)F ZINC000518183185 650602196 /nfs/dbraw/zinc/60/21/96/650602196.db2.gz WYTKLTZRXYLAFB-NSHDSACASA-N 1 0 387.839 2.398 20 0 GEADRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479387890 650602399 /nfs/dbraw/zinc/60/23/99/650602399.db2.gz JMSPKMITLWPSGH-BMIGLBTASA-N 1 0 397.324 2.081 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c1F ZINC000518729222 650606853 /nfs/dbraw/zinc/60/68/53/650606853.db2.gz PXPRERGGMHNUGU-UHFFFAOYSA-N 1 0 398.276 2.437 20 0 GEADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C(=O)N1CCc2sc(Cl)cc2C1 ZINC000518375639 650603975 /nfs/dbraw/zinc/60/39/75/650603975.db2.gz GBNBRRWBJNKKRJ-MTICYGMRSA-N 1 0 381.929 2.308 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000518501877 650605331 /nfs/dbraw/zinc/60/53/31/650605331.db2.gz BSYXUFOIHUGHLM-GFCCVEGCSA-N 1 0 382.302 2.084 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000518756322 650607246 /nfs/dbraw/zinc/60/72/46/650607246.db2.gz AEXXCRLGYOSWPH-WCQYABFASA-N 1 0 383.286 2.397 20 0 GEADRO C[C@]1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CCC[NH2+]C1 ZINC000519610032 650609366 /nfs/dbraw/zinc/60/93/66/650609366.db2.gz OPKGWJQXIQRYHY-KRWDZBQOSA-N 1 0 378.270 2.410 20 0 GEADRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)C1 ZINC000479793734 650610223 /nfs/dbraw/zinc/61/02/23/650610223.db2.gz QUIPYPOPDQYFSU-XYPYZODXSA-N 1 0 388.312 2.341 20 0 GEADRO CCC[NH2+][C@H](C)C(=O)NCCOc1ccc(I)cc1 ZINC000519710496 650611077 /nfs/dbraw/zinc/61/10/77/650611077.db2.gz HCMZLLFFRCAUKU-LLVKDONJSA-N 1 0 376.238 2.174 20 0 GEADRO CSC[C@H](CCO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480169886 650616759 /nfs/dbraw/zinc/61/67/59/650616759.db2.gz MYIVAASXSZMTNJ-WCQYABFASA-N 1 0 394.356 2.371 20 0 GEADRO COCC[C@](C)(O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480236932 650618282 /nfs/dbraw/zinc/61/82/82/650618282.db2.gz WOXOARMSHGTPKS-ZFWWWQNUSA-N 1 0 392.315 2.045 20 0 GEADRO CSC1(CNC(=O)c2cccc(S(=O)(=O)C(C)C)c2)CC[NH+](C)CC1 ZINC000521946301 650620458 /nfs/dbraw/zinc/62/04/58/650620458.db2.gz HTTWFXKASNOUPQ-UHFFFAOYSA-N 1 0 384.567 2.426 20 0 GEADRO C[C@H]1C[N@H+](C)CCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000522069718 650621873 /nfs/dbraw/zinc/62/18/73/650621873.db2.gz CFKAOMPGIQABMF-AAEUAGOBSA-N 1 0 377.710 2.478 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000522141492 650622546 /nfs/dbraw/zinc/62/25/46/650622546.db2.gz WPXCXEWDPAXHAN-GFCCVEGCSA-N 1 0 398.301 2.243 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000522141453 650622569 /nfs/dbraw/zinc/62/25/69/650622569.db2.gz JHQLHOJZIBZSDI-ZDUSSCGKSA-N 1 0 396.285 2.093 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000480454396 650622704 /nfs/dbraw/zinc/62/27/04/650622704.db2.gz OWDXWPGMIBDBIC-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCC[N@H+](C)C3CC3)ccc2s1 ZINC000480454568 650622730 /nfs/dbraw/zinc/62/27/30/650622730.db2.gz IGGPXIRYLJOESY-UHFFFAOYSA-N 1 0 382.507 2.451 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000522402630 650624834 /nfs/dbraw/zinc/62/48/34/650624834.db2.gz CSGBMIANILPFDP-CQSZACIVSA-N 1 0 397.317 2.480 20 0 GEADRO O=C(CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Br)cc1 ZINC000522290472 650624909 /nfs/dbraw/zinc/62/49/09/650624909.db2.gz YZNOKQDPEZPMNL-CQSZACIVSA-N 1 0 395.301 2.314 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000480643053 650626497 /nfs/dbraw/zinc/62/64/97/650626497.db2.gz KZFDSISYBVLIGE-GHMZBOCLSA-N 1 0 377.304 2.219 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Br)c1 ZINC000480808832 650633110 /nfs/dbraw/zinc/63/31/10/650633110.db2.gz DFYDTMILVLDBBN-MNOVXSKESA-N 1 0 389.315 2.361 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000523593912 650636467 /nfs/dbraw/zinc/63/64/67/650636467.db2.gz SCWFLUWIEVXKSB-GFCCVEGCSA-N 1 0 384.274 2.114 20 0 GEADRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000481095746 650640799 /nfs/dbraw/zinc/64/07/99/650640799.db2.gz YBEIQCAAKDEDET-HNNXBMFYSA-N 1 0 384.299 2.302 20 0 GEADRO C[C@@H](CNC(=O)CCCOc1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000524386875 650640886 /nfs/dbraw/zinc/64/08/86/650640886.db2.gz GQSLVKLRMHKVEW-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000524491503 650642091 /nfs/dbraw/zinc/64/20/91/650642091.db2.gz BGQRDESBHIIHCK-ZDUSSCGKSA-N 1 0 382.306 2.229 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)c3nc(SC)ncc3Cl)CC2)c1 ZINC000524589745 650643172 /nfs/dbraw/zinc/64/31/72/650643172.db2.gz WISNWBPSZUQYHY-UHFFFAOYSA-N 1 0 379.873 2.218 20 0 GEADRO C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)N1CCc2sccc2C1 ZINC000481290011 650643788 /nfs/dbraw/zinc/64/37/88/650643788.db2.gz JBHRXOIRRNZFNT-KDOFPFPSSA-N 1 0 382.599 2.231 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC[NH2+]C(C)(C)C ZINC000524815713 650646651 /nfs/dbraw/zinc/64/66/51/650646651.db2.gz MHHKYEBEOYYENR-SECBINFHSA-N 1 0 376.320 2.133 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000524869200 650647735 /nfs/dbraw/zinc/64/77/35/650647735.db2.gz PNLHOCXISWENJC-JTQLQIEISA-N 1 0 386.677 2.394 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000525293391 650653144 /nfs/dbraw/zinc/65/31/44/650653144.db2.gz VABOZFJFLOJEIO-SNVBAGLBSA-N 1 0 398.248 2.239 20 0 GEADRO COC(=O)CCNC(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481765758 650652683 /nfs/dbraw/zinc/65/26/83/650652683.db2.gz KGVMBSAGYMXEFT-INIZCTEOSA-N 1 0 387.249 2.308 20 0 GEADRO CN(C)c1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc[nH+]1 ZINC000481899869 650655872 /nfs/dbraw/zinc/65/58/72/650655872.db2.gz NHCVZMCCQLUJGS-UHFFFAOYSA-N 1 0 376.360 2.285 20 0 GEADRO CC[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481919842 650656218 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CC(=O)N[C@H](CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000484620466 650687868 /nfs/dbraw/zinc/68/78/68/650687868.db2.gz PECXMLPQZWLKDY-SGIREYDYSA-N 1 0 382.302 2.212 20 0 GEADRO CS[C@@H]1CN(CC(=O)Nc2nnc(CC(C)C)s2)C[C@H]1[NH+]1CCCC1 ZINC000484614752 650687917 /nfs/dbraw/zinc/68/79/17/650687917.db2.gz GYYYHSPQXODQGV-ZIAGYGMSSA-N 1 0 383.587 2.187 20 0 GEADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528311678 650688624 /nfs/dbraw/zinc/68/86/24/650688624.db2.gz VAZPLOSSKMCLFL-UHFFFAOYSA-N 1 0 382.452 2.180 20 0 GEADRO CS[C@@H]1CN(CC(=O)Nc2nc3c(s2)CCCC3)C[C@H]1[NH+]1CCCC1 ZINC000484649958 650688679 /nfs/dbraw/zinc/68/86/79/650688679.db2.gz LYQRACLRNMHISO-GDBMZVCRSA-N 1 0 380.583 2.472 20 0 GEADRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000484768352 650690123 /nfs/dbraw/zinc/69/01/23/650690123.db2.gz QXANSURJABBVCY-INIZCTEOSA-N 1 0 388.258 2.360 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@]3(C)Br)cn2)CC1 ZINC000528015181 650684304 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C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)c(F)c1F ZINC000528466278 650694582 /nfs/dbraw/zinc/69/45/82/650694582.db2.gz UXRPSNCORTWRLD-JTQLQIEISA-N 1 0 376.245 2.093 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccnc1OCC(F)F ZINC000528553135 650696348 /nfs/dbraw/zinc/69/63/48/650696348.db2.gz QWPPRZOKQLQAGW-CYBMUJFWSA-N 1 0 375.441 2.021 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000485568798 650697416 /nfs/dbraw/zinc/69/74/16/650697416.db2.gz NOXWOGZZVYNJDP-MRXNPFEDSA-N 1 0 381.929 2.167 20 0 GEADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000485689541 650699036 /nfs/dbraw/zinc/69/90/36/650699036.db2.gz TVFHZPPAGXAXCQ-CVEARBPZSA-N 1 0 398.301 2.315 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000485727993 650699888 /nfs/dbraw/zinc/69/98/88/650699888.db2.gz VDHWBGHHBPKITH-DZGCQCFKSA-N 1 0 390.274 2.073 20 0 GEADRO CC[C@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000485838903 650701237 /nfs/dbraw/zinc/70/12/37/650701237.db2.gz HARFDQYWDWWUTM-YGRLFVJLSA-N 1 0 388.281 2.222 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000485849501 650701322 /nfs/dbraw/zinc/70/13/22/650701322.db2.gz VLRDDHPHOXAZTC-IRXDYDNUSA-N 1 0 384.307 2.283 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000485851909 650701337 /nfs/dbraw/zinc/70/13/37/650701337.db2.gz WHIGMDRNWYXHJI-AWEZNQCLSA-N 1 0 381.318 2.224 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@H]1CC[NH2+]C12CCC2 ZINC000529318942 650702710 /nfs/dbraw/zinc/70/27/10/650702710.db2.gz ATZDUTARUVRJRI-AWEZNQCLSA-N 1 0 380.286 2.468 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(Br)c(F)c1F ZINC000529346427 650703097 /nfs/dbraw/zinc/70/30/97/650703097.db2.gz DNFAULFZZMGMGT-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000529911112 650709272 /nfs/dbraw/zinc/70/92/72/650709272.db2.gz KQYVMHYFFVKMEU-UHFFFAOYSA-N 1 0 383.286 2.482 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000486362812 650712322 /nfs/dbraw/zinc/71/23/22/650712322.db2.gz VZJZOGDLEVMYNO-ONGXEEELSA-N 1 0 379.404 2.213 20 0 GEADRO C[NH+](C)C[C@H](c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H](O)CCCN2C1=O ZINC000530215390 650718731 /nfs/dbraw/zinc/71/87/31/650718731.db2.gz WNRZVKJZBGQVIE-QLFBSQMISA-N 1 0 386.279 2.384 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000530346010 650722707 /nfs/dbraw/zinc/72/27/07/650722707.db2.gz XUAWBAVCYLRRHP-OAHLLOKOSA-N 1 0 387.571 2.092 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)nc12 ZINC000487143751 650729304 /nfs/dbraw/zinc/72/93/04/650729304.db2.gz XHHNLZIDYHIVER-DOMZBBRYSA-N 1 0 379.302 2.262 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000530845602 650729350 /nfs/dbraw/zinc/72/93/50/650729350.db2.gz WQHRIXLVAZEASB-GFCCVEGCSA-N 1 0 398.301 2.243 20 0 GEADRO Cn1ncc(Br)c1CNCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000486973599 650726364 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CN(CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C(=O)c1ccc(Br)o1 ZINC000487460866 650734095 /nfs/dbraw/zinc/73/40/95/650734095.db2.gz LKTXZUSFKZDULA-NWDGAFQWSA-N 1 0 386.290 2.103 20 0 GEADRO C[C@H](CNC(=O)N(CCO)Cc1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000487479737 650734254 /nfs/dbraw/zinc/73/42/54/650734254.db2.gz UAHOMLTXWSYGCD-CYBMUJFWSA-N 1 0 384.318 2.436 20 0 GEADRO COc1ccc(Br)c2[nH]c(C(=O)NCC3(O)CC[NH+](C)CC3)cc21 ZINC000531097401 650734850 /nfs/dbraw/zinc/73/48/50/650734850.db2.gz LAZRMOQNRPHBIU-UHFFFAOYSA-N 1 0 396.285 2.126 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000487553881 650735466 /nfs/dbraw/zinc/73/54/66/650735466.db2.gz CLIKSUHERNTYGF-AWEZNQCLSA-N 1 0 394.313 2.356 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@]23CCC(=O)N2c2ccccc2S3)CCSC1 ZINC000531366815 650737517 /nfs/dbraw/zinc/73/75/17/650737517.db2.gz KNLIKRLFONHDCM-QZTJIDSGSA-N 1 0 377.535 2.169 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000531483671 650739262 /nfs/dbraw/zinc/73/92/62/650739262.db2.gz NKECTKLEUHCIAY-CQSZACIVSA-N 1 0 382.448 2.482 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000007408804 642339295 /nfs/dbraw/zinc/33/92/95/642339295.db2.gz XJMAKBZGMNFHMN-OAHLLOKOSA-N 1 0 381.523 2.031 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCOC[C@@H]1C ZINC000531705602 650742955 /nfs/dbraw/zinc/74/29/55/650742955.db2.gz WYQMHDLJBFZOHQ-KGLIPLIRSA-N 1 0 384.318 2.477 20 0 GEADRO NC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1 ZINC000531702451 650743010 /nfs/dbraw/zinc/74/30/10/650743010.db2.gz XHVBVNDALKEONQ-AWEZNQCLSA-N 1 0 379.254 2.078 20 0 GEADRO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000008531870 642353209 /nfs/dbraw/zinc/35/32/09/642353209.db2.gz QFKQXQZRMUPHHO-LBPRGKRZSA-N 1 0 386.290 2.382 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN(C)Cc2cc(Br)ccc2OC)CC1 ZINC000015296779 642379283 /nfs/dbraw/zinc/37/92/83/642379283.db2.gz PZQLDHXAZYDIBI-UHFFFAOYSA-N 1 0 398.345 2.490 20 0 GEADRO 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ADSOZPBSLICDTH-UHFFFAOYSA-N 1 0 388.896 2.274 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000536040853 650794736 /nfs/dbraw/zinc/79/47/36/650794736.db2.gz YTKZISNTPOBHFK-RYUDHWBXSA-N 1 0 383.290 2.162 20 0 GEADRO Cc1noc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000066204961 642900898 /nfs/dbraw/zinc/90/08/98/642900898.db2.gz FXWFKTOAGPOFNX-UHFFFAOYSA-N 1 0 396.289 2.414 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493906239 650798615 /nfs/dbraw/zinc/79/86/15/650798615.db2.gz LBTOXNLRPTUYSJ-KRWDZBQOSA-N 1 0 380.330 2.499 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000067044929 642960279 /nfs/dbraw/zinc/96/02/79/642960279.db2.gz UMLOOBHCRGNOHE-HZPDHXFCSA-N 1 0 381.929 2.408 20 0 GEADRO C[C@H](CNC(=O)CNC(=O)c1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000067593500 642974018 /nfs/dbraw/zinc/97/40/18/642974018.db2.gz YYHJXHXWQAFXMG-CQSZACIVSA-N 1 0 396.329 2.416 20 0 GEADRO CCn1c(SCC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)nnc1-c1cccs1 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CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@H]([NH3+])CC(F)F)c1 ZINC000498205156 650851067 /nfs/dbraw/zinc/85/10/67/650851067.db2.gz NRDFHBVOUOEPCF-CYBMUJFWSA-N 1 0 377.457 2.255 20 0 GEADRO Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1Br ZINC000120105213 643592083 /nfs/dbraw/zinc/59/20/83/643592083.db2.gz ALDFZZDIPWVGDN-UHFFFAOYSA-N 1 0 394.273 2.093 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)CC[C@@H]21 ZINC000120442468 643607958 /nfs/dbraw/zinc/60/79/58/643607958.db2.gz UNYVYWANXQHIRN-NHYWBVRUSA-N 1 0 398.276 2.469 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000120480468 643610673 /nfs/dbraw/zinc/61/06/73/643610673.db2.gz CHIINSXAWAFBTJ-CMPLNLGQSA-N 1 0 386.265 2.468 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000120480303 643610794 /nfs/dbraw/zinc/61/07/94/643610794.db2.gz CHIINSXAWAFBTJ-ZYHUDNBSSA-N 1 0 386.265 2.468 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2c(F)cccc2Br)CC[N@@H+]1C ZINC000120566511 643619580 /nfs/dbraw/zinc/61/95/80/643619580.db2.gz XWLGNSUSYGUSQB-GHMZBOCLSA-N 1 0 386.265 2.468 20 0 GEADRO Cn1cncc1CCNC(=O)c1ccnc(Cl)c1I ZINC000121468369 643632734 /nfs/dbraw/zinc/63/27/34/643632734.db2.gz BAJZWVCWASJJOB-UHFFFAOYSA-N 1 0 390.612 2.046 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000498373994 650855183 /nfs/dbraw/zinc/85/51/83/650855183.db2.gz KOZFQSYTHVWITB-SJKOYZFVSA-N 1 0 389.327 2.184 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl)C(C)(C)C[NH+](C)C ZINC000122667285 643660407 /nfs/dbraw/zinc/66/04/07/643660407.db2.gz YZMBMSPHOLQQOM-LBPRGKRZSA-N 1 0 389.949 2.296 20 0 GEADRO O=C(Nc1nnc(C(F)F)s1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000123003093 643663356 /nfs/dbraw/zinc/66/33/56/643663356.db2.gz JEHXDJSTRDMLJI-WDEREUQCSA-N 1 0 375.445 2.365 20 0 GEADRO C[C@@H]1[C@H](C)N(CC(=O)N(C)CCOc2ccc(Br)cc2)CC[N@H+]1C ZINC000540042989 650857851 /nfs/dbraw/zinc/85/78/51/650857851.db2.gz OJFNODFQAWPGKF-CABCVRRESA-N 1 0 398.345 2.311 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000540147136 650858149 /nfs/dbraw/zinc/85/81/49/650858149.db2.gz PGKFTNKDMXJERW-QMTHXVAHSA-N 1 0 394.718 2.493 20 0 GEADRO Cc1c([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)CCO2)cnn1-c1cccc(Cl)c1 ZINC000540165450 650858603 /nfs/dbraw/zinc/85/86/03/650858603.db2.gz ZKXBPTSCEVWRQZ-LRDDRELGSA-N 1 0 383.901 2.298 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000540165186 650858659 /nfs/dbraw/zinc/85/86/59/650858659.db2.gz OWZWTVZIBHGYAS-OCCSQVGLSA-N 1 0 390.299 2.066 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(Cl)cc1Cl ZINC000125004345 643697397 /nfs/dbraw/zinc/69/73/97/643697397.db2.gz DLBWYGBMAUHXBU-BDAKNGLRSA-N 1 0 381.281 2.328 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2ccc(I)cc2)CC1 ZINC000126126639 643721241 /nfs/dbraw/zinc/72/12/41/643721241.db2.gz MMVLFQZJIXDEPI-UHFFFAOYSA-N 1 0 388.249 2.261 20 0 GEADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000498654839 650861941 /nfs/dbraw/zinc/86/19/41/650861941.db2.gz GEQSLDVPWSYHKN-UHFFFAOYSA-N 1 0 375.803 2.134 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000540300539 650862555 /nfs/dbraw/zinc/86/25/55/650862555.db2.gz CEJSDGVDSAQCJL-JQFCIGGWSA-N 1 0 396.329 2.031 20 0 GEADRO CS[C@H]1CN(c2cnn(Cc3ccccc3)c(=O)c2Cl)C[C@H]1[NH+](C)C ZINC000540297886 650862668 /nfs/dbraw/zinc/86/26/68/650862668.db2.gz WLXOWHPFWSDARO-CVEARBPZSA-N 1 0 378.929 2.427 20 0 GEADRO CC[NH+](CC)CCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000126727317 643744433 /nfs/dbraw/zinc/74/44/33/643744433.db2.gz UUYUSHBNFWLLKV-NSHDSACASA-N 1 0 390.347 2.477 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000126833287 643747430 /nfs/dbraw/zinc/74/74/30/643747430.db2.gz GJODNTADNLCMCN-CYBMUJFWSA-N 1 0 390.347 2.230 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)COc1ccc(I)cc1 ZINC000498731742 650863427 /nfs/dbraw/zinc/86/34/27/650863427.db2.gz UJJFTQYYZKZMQT-LBPRGKRZSA-N 1 0 388.249 2.223 20 0 GEADRO NS(=O)(=O)CC1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000540575271 650864440 /nfs/dbraw/zinc/86/44/40/650864440.db2.gz RPJOXWUFSAYFGM-UHFFFAOYSA-N 1 0 388.917 2.044 20 0 GEADRO CSc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000127407113 643775362 /nfs/dbraw/zinc/77/53/62/643775362.db2.gz UTIVJCLURWPPPH-MSOLQXFVSA-N 1 0 384.567 2.455 20 0 GEADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000127492008 643777172 /nfs/dbraw/zinc/77/71/72/643777172.db2.gz NZCPRFMRRDKJQY-FZMZJTMJSA-N 1 0 390.336 2.323 20 0 GEADRO CC(C)C[C@H](NC(=O)c1sccc1Br)C(=O)NCC[NH+](C)C ZINC000127862843 643788637 /nfs/dbraw/zinc/78/86/37/643788637.db2.gz NIVOKRMJDBKQOP-LBPRGKRZSA-N 1 0 390.347 2.333 20 0 GEADRO CC(C)C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000128047334 643791304 /nfs/dbraw/zinc/79/13/04/643791304.db2.gz SQIOJEJLZJKNLC-HNNXBMFYSA-N 1 0 384.318 2.271 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000128060553 643792217 /nfs/dbraw/zinc/79/22/17/643792217.db2.gz VPCRQFRWUBBHFD-UHFFFAOYSA-N 1 0 387.311 2.076 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@H]1CCCS1 ZINC000498842891 650867103 /nfs/dbraw/zinc/86/71/03/650867103.db2.gz GNVSXYYPEVLCGQ-MRXNPFEDSA-N 1 0 383.945 2.242 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccnc(Br)c2)CC1 ZINC000128805648 643811055 /nfs/dbraw/zinc/81/10/55/643811055.db2.gz RWOVPZFDKFCUEO-HNNXBMFYSA-N 1 0 381.318 2.086 20 0 GEADRO CCC[NH+]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000128980903 643817003 /nfs/dbraw/zinc/81/70/03/643817003.db2.gz RTQNLIAVGXOBMN-UHFFFAOYSA-N 1 0 378.274 2.198 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129602395 643823801 /nfs/dbraw/zinc/82/38/01/643823801.db2.gz YCDYSLVPWNBBPM-GKDVJIACSA-N 1 0 386.315 2.028 20 0 GEADRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000129944008 643828073 /nfs/dbraw/zinc/82/80/73/643828073.db2.gz UGBSKDQSUIXXJR-NSHDSACASA-N 1 0 378.441 2.258 20 0 GEADRO O=C(NCC[NH2+]C1CCN(CC(F)F)CC1)c1ccc(Br)cc1 ZINC000130135880 643830488 /nfs/dbraw/zinc/83/04/88/643830488.db2.gz XZPLJKDHMQKZHI-UHFFFAOYSA-N 1 0 390.272 2.498 20 0 GEADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NCC1CCS(=O)(=O)CC1 ZINC000130147339 643830858 /nfs/dbraw/zinc/83/08/58/643830858.db2.gz PLDWJMTWCOVCAO-HNNXBMFYSA-N 1 0 385.555 2.009 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000130719412 643848075 /nfs/dbraw/zinc/84/80/75/643848075.db2.gz HUCJPNWBWFTKLY-HZPDHXFCSA-N 1 0 382.302 2.275 20 0 GEADRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000130944036 643856033 /nfs/dbraw/zinc/85/60/33/643856033.db2.gz LUXUSHCGDBDYKU-SGANQWHYSA-N 1 0 388.961 2.250 20 0 GEADRO C[C@H](CNC(=O)Cc1cc(Cl)ccc1Br)N1CC[NH+](C)CC1 ZINC000132969415 643890442 /nfs/dbraw/zinc/89/04/42/643890442.db2.gz VMDWHPUQQWCCDG-GFCCVEGCSA-N 1 0 388.737 2.397 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C1 ZINC000541248056 650872494 /nfs/dbraw/zinc/87/24/94/650872494.db2.gz XOLHYFJTGCVNRS-CHWSQXEVSA-N 1 0 387.933 2.085 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(Br)nc2)CC1=O ZINC000134076902 643900956 /nfs/dbraw/zinc/90/09/56/643900956.db2.gz CRYBXFQQZIXKNP-OCCSQVGLSA-N 1 0 395.301 2.115 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000134517317 643905154 /nfs/dbraw/zinc/90/51/54/643905154.db2.gz SJDNBYDSNUNVEL-CQSZACIVSA-N 1 0 385.917 2.094 20 0 GEADRO CC[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@H](O)C(F)(F)F ZINC000499091286 650873570 /nfs/dbraw/zinc/87/35/70/650873570.db2.gz PEGJPKKGWCDZLH-OLZOCXBDSA-N 1 0 383.480 2.349 20 0 GEADRO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccc(Cl)s1 ZINC000136842285 643920111 /nfs/dbraw/zinc/92/01/11/643920111.db2.gz LDKRDYBOOVMMAZ-QWHCGFSZSA-N 1 0 384.933 2.411 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000151269407 643933777 /nfs/dbraw/zinc/93/37/77/643933777.db2.gz LXLUGKANNHUFOR-GFCCVEGCSA-N 1 0 383.290 2.163 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)CC(C)C ZINC000151366216 643939822 /nfs/dbraw/zinc/93/98/22/643939822.db2.gz JMUGWRSBYHBPJL-CYBMUJFWSA-N 1 0 389.949 2.474 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000151374413 643940796 /nfs/dbraw/zinc/94/07/96/643940796.db2.gz KZOTXFYHFOKPPB-UHFFFAOYSA-N 1 0 390.272 2.483 20 0 GEADRO CN(C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000151710420 643951442 /nfs/dbraw/zinc/95/14/42/643951442.db2.gz APPONOMPRYWTEL-SJCJKPOMSA-N 1 0 396.285 2.284 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C[N@@H+]1C1CC1 ZINC000151885686 643958402 /nfs/dbraw/zinc/95/84/02/643958402.db2.gz JGYNYVJPJPZJTR-MWLCHTKSSA-N 1 0 384.249 2.268 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000151912060 643960612 /nfs/dbraw/zinc/96/06/12/643960612.db2.gz SQBDQIOGQLHLTK-UHFFFAOYSA-N 1 0 387.933 2.292 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCc2c(Cl)cccc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000541777304 650880338 /nfs/dbraw/zinc/88/03/38/650880338.db2.gz DHDUAVGADYQWOX-OGHNNQOOSA-N 1 0 384.929 2.246 20 0 GEADRO C[C@H](NC(=O)NNc1nc(Cl)c(Cl)cc1Cl)[C@H]1CN(C)CCO1 ZINC000152421084 643968043 /nfs/dbraw/zinc/96/80/43/643968043.db2.gz ZGAWEIJDTUVVAM-OIBJUYFYSA-N 1 0 382.679 2.387 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(C(N)=O)CCOCC1 ZINC000153206632 643980137 /nfs/dbraw/zinc/98/01/37/643980137.db2.gz ATLRXSNOZNLMGG-GFCCVEGCSA-N 1 0 398.301 2.038 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(I)cc2)CC[N@@H+]1C ZINC000541814281 650882295 /nfs/dbraw/zinc/88/22/95/650882295.db2.gz SMSPKYGJZRDKLK-ZYHUDNBSSA-N 1 0 394.278 2.052 20 0 GEADRO O=C(C[N@@H+]1CC[C@]2(CCOC2)C1)Nc1cccc(I)c1 ZINC000153837118 644007351 /nfs/dbraw/zinc/00/73/51/644007351.db2.gz NZMFTVFJWUQMGX-HNNXBMFYSA-N 1 0 386.233 2.342 20 0 GEADRO CCC(CC)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000154187396 644023783 /nfs/dbraw/zinc/02/37/83/644023783.db2.gz JXXOTJQVAMSORO-ZDUSSCGKSA-N 1 0 376.544 2.499 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000154250486 644028586 /nfs/dbraw/zinc/02/85/86/644028586.db2.gz KCWOCHQLNNZBQJ-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000154278838 644031069 /nfs/dbraw/zinc/03/10/69/644031069.db2.gz JXLWWNRWXOBMCP-WCBMZHEXSA-N 1 0 384.221 2.119 20 0 GEADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000154372248 644039437 /nfs/dbraw/zinc/03/94/37/644039437.db2.gz VTVXSCOTMVZXCI-HNNXBMFYSA-N 1 0 395.301 2.260 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000154430611 644040774 /nfs/dbraw/zinc/04/07/74/644040774.db2.gz XLSGCKZRZZQMHG-CYBMUJFWSA-N 1 0 383.290 2.115 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000154464054 644043748 /nfs/dbraw/zinc/04/37/48/644043748.db2.gz ZLQGTBNLTWWSHM-UHFFFAOYSA-N 1 0 388.281 2.342 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000154492282 644046414 /nfs/dbraw/zinc/04/64/14/644046414.db2.gz VCXLSEBLUQSRKC-GFCCVEGCSA-N 1 0 382.302 2.436 20 0 GEADRO CCC[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000154551866 644051384 /nfs/dbraw/zinc/05/13/84/644051384.db2.gz WMQZEIPGFYWMOX-HNNXBMFYSA-N 1 0 382.302 2.170 20 0 GEADRO OCC[NH+]1CCN(Cc2ccc(Br)c(Br)c2)CC1 ZINC000154566224 644052583 /nfs/dbraw/zinc/05/25/83/644052583.db2.gz MHLUZFFSTXFJMO-UHFFFAOYSA-N 1 0 378.108 2.322 20 0 GEADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNc1ccncc1Cl ZINC000154689800 644059233 /nfs/dbraw/zinc/05/92/33/644059233.db2.gz IESPIGDGPIOLML-UHFFFAOYSA-N 1 0 389.264 2.200 20 0 GEADRO C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000155106051 644064716 /nfs/dbraw/zinc/06/47/16/644064716.db2.gz BCDHKFDWVRVTKC-ZDUSSCGKSA-N 1 0 394.313 2.122 20 0 GEADRO CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000155428336 644071409 /nfs/dbraw/zinc/07/14/09/644071409.db2.gz COIVNCKBHWYQFI-ZIAGYGMSSA-N 1 0 383.587 2.291 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000155473720 644073313 /nfs/dbraw/zinc/07/33/13/644073313.db2.gz TTYYGKATRBFGEO-UHFFFAOYSA-N 1 0 380.436 2.150 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000499691623 650890802 /nfs/dbraw/zinc/89/08/02/650890802.db2.gz KGOVWVRFSWHOMM-KKUMJFAQSA-N 1 0 398.345 2.477 20 0 GEADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000156398673 644094439 /nfs/dbraw/zinc/09/44/39/644094439.db2.gz ZFUCWANFDVCWGQ-AWEZNQCLSA-N 1 0 382.302 2.496 20 0 GEADRO Cc1nn2c(C[NH2+]CCNS(=O)(=O)c3cccs3)c(C(C)C)nc2s1 ZINC000499706421 650891220 /nfs/dbraw/zinc/89/12/20/650891220.db2.gz RMILYRDCVGINOV-UHFFFAOYSA-N 1 0 399.567 2.352 20 0 GEADRO C[C@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)N1CC[NH+](C)CC1 ZINC000156762426 644116524 /nfs/dbraw/zinc/11/65/24/644116524.db2.gz DDPSMSBAHYUQNA-GFCCVEGCSA-N 1 0 380.341 2.049 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)NC[C@@H](C)[NH3+])cc1Br ZINC000158625935 644152299 /nfs/dbraw/zinc/15/22/99/644152299.db2.gz IHDRLECGTYNOLJ-SSDOTTSWSA-N 1 0 386.109 2.146 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)N(C)CCC[NH3+])c(Cl)cc1Cl ZINC000158755841 644158332 /nfs/dbraw/zinc/15/83/32/644158332.db2.gz JTHNEUIVXTVMDD-UHFFFAOYSA-N 1 0 396.340 2.349 20 0 GEADRO CS[C@@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC000158854108 644163534 /nfs/dbraw/zinc/16/35/34/644163534.db2.gz OPUAWQIYPINEBV-JKSUJKDBSA-N 1 0 386.587 2.443 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000158893774 644165638 /nfs/dbraw/zinc/16/56/38/644165638.db2.gz SFNIYIIZBSAZJM-LLVKDONJSA-N 1 0 398.248 2.011 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(OC)cc2I)C1 ZINC000158893040 644165663 /nfs/dbraw/zinc/16/56/63/644165663.db2.gz AABPYGCTEXERAM-NSHDSACASA-N 1 0 388.249 2.371 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)C1 ZINC000158910239 644167046 /nfs/dbraw/zinc/16/70/46/644167046.db2.gz AKGLGWWMBFVLJL-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO O=C(C[C@H]1CSCCS1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000159155561 644178102 /nfs/dbraw/zinc/17/81/02/644178102.db2.gz QXFYNBDRNOEQHV-SFHVURJKSA-N 1 0 380.579 2.498 20 0 GEADRO CC(=O)c1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000543054362 650898657 /nfs/dbraw/zinc/89/86/57/650898657.db2.gz JMUIJXBTSNSNAV-QGZVFWFLSA-N 1 0 383.901 2.035 20 0 GEADRO CC(C)[NH+](CCCNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C(C)C ZINC000543070253 650899087 /nfs/dbraw/zinc/89/90/87/650899087.db2.gz VBNBLJZNRZUHBJ-UHFFFAOYSA-N 1 0 375.922 2.226 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000161165997 644208633 /nfs/dbraw/zinc/20/86/33/644208633.db2.gz MCLCCIFACUBHHT-STQMWFEESA-N 1 0 387.933 2.417 20 0 GEADRO O=C(NCC1(c2cccc(Br)c2)CCCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000161694618 644215785 /nfs/dbraw/zinc/21/57/85/644215785.db2.gz HEUCHQOKAAXLOA-JKSUJKDBSA-N 1 0 381.314 2.490 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000161722429 644216668 /nfs/dbraw/zinc/21/66/68/644216668.db2.gz LQCUSSAYBPLXPB-QWHCGFSZSA-N 1 0 378.274 2.338 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000162021038 644229565 /nfs/dbraw/zinc/22/95/65/644229565.db2.gz HKLHBWJZEPAMDY-NWDGAFQWSA-N 1 0 380.208 2.202 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000162093760 644231934 /nfs/dbraw/zinc/23/19/34/644231934.db2.gz NYMCDWQUNZKJAN-JTQLQIEISA-N 1 0 395.294 2.359 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000162361312 644234645 /nfs/dbraw/zinc/23/46/45/644234645.db2.gz XYOPAWVTASUGHN-INIZCTEOSA-N 1 0 384.293 2.327 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)(C)C ZINC000163293739 644253665 /nfs/dbraw/zinc/25/36/65/644253665.db2.gz DUKAPFSJGKOJBJ-QWHCGFSZSA-N 1 0 376.544 2.497 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2S(=O)(=O)N(C)C)C1 ZINC000163442323 644256789 /nfs/dbraw/zinc/25/67/89/644256789.db2.gz UKUOKJLHTDXDAN-AWEZNQCLSA-N 1 0 387.571 2.096 20 0 GEADRO COC(=O)[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000543308900 650906450 /nfs/dbraw/zinc/90/64/50/650906450.db2.gz VTRACHVDNXVFKB-ABAIWWIYSA-N 1 0 389.279 2.292 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(I)cc1)[N@H+](C)C1CC1 ZINC000170788026 644287119 /nfs/dbraw/zinc/28/71/19/644287119.db2.gz FNGPODQIPXFXBX-SNVBAGLBSA-N 1 0 394.278 2.052 20 0 GEADRO C[C@H](NC(=[NH2+])NCCC(=O)N1CCN(C)CC1)c1ccc(Cl)cc1Cl ZINC000170912783 644296724 /nfs/dbraw/zinc/29/67/24/644296724.db2.gz FLWMALQDMNWUPK-LBPRGKRZSA-N 1 0 386.327 2.123 20 0 GEADRO C[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1ccc(Br)cc1 ZINC000171118636 644312211 /nfs/dbraw/zinc/31/22/11/644312211.db2.gz AXIFRYUTFXEUSD-QMMMGPOBSA-N 1 0 382.180 2.488 20 0 GEADRO COCC[N@H+](C)CCNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000171200207 644316358 /nfs/dbraw/zinc/31/63/58/644316358.db2.gz SYRUHJDIYUMHBA-UHFFFAOYSA-N 1 0 376.270 2.008 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000174512359 644376692 /nfs/dbraw/zinc/37/66/92/644376692.db2.gz BMEPOHMRMPUVIT-UHFFFAOYSA-N 1 0 380.293 2.420 20 0 GEADRO Cc1nsc(N2CCC[N@H+](C[C@H](O)COc3ccccc3Cl)CC2)n1 ZINC000174801237 644383028 /nfs/dbraw/zinc/38/30/28/644383028.db2.gz SQBQUKSAEJHTOX-AWEZNQCLSA-N 1 0 382.917 2.452 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(Cn2nc(Br)nc2Br)C1 ZINC000175238197 644387116 /nfs/dbraw/zinc/38/71/16/644387116.db2.gz CPQOSGZKQVGXAL-SECBINFHSA-N 1 0 381.116 2.177 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(Cn2nc(Br)nc2Br)C1 ZINC000175238120 644387281 /nfs/dbraw/zinc/38/72/81/644387281.db2.gz WJLSZWXLZKGOPT-SNVBAGLBSA-N 1 0 395.143 2.424 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)c1cccn2c(I)cnc12 ZINC000176823154 644406080 /nfs/dbraw/zinc/40/60/80/644406080.db2.gz NGDDDFWLRWESGK-UHFFFAOYSA-N 1 0 398.248 2.155 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)COc2ccc(C=O)cc2Br)C[N@@H+]1C1CC1 ZINC000177196883 644410383 /nfs/dbraw/zinc/41/03/83/644410383.db2.gz BPURPQTXVIIZQO-DGCLKSJQSA-N 1 0 381.270 2.382 20 0 GEADRO C[NH+](C)CCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000177605095 644419788 /nfs/dbraw/zinc/41/97/88/644419788.db2.gz MMAHLTAEYMOJCM-UHFFFAOYSA-N 1 0 375.922 2.098 20 0 GEADRO CCCN(C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000178897066 644442999 /nfs/dbraw/zinc/44/29/99/644442999.db2.gz YEOWATOAJUJSRX-AWEZNQCLSA-N 1 0 379.917 2.488 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1Cl ZINC000178907443 644443801 /nfs/dbraw/zinc/44/38/01/644443801.db2.gz QUSMLCHBOSRMHC-MRVPVSSYSA-N 1 0 383.695 2.080 20 0 GEADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ncc(Br)s1 ZINC000179228592 644453560 /nfs/dbraw/zinc/45/35/60/644453560.db2.gz PJMNJXIYQVJPQH-JTQLQIEISA-N 1 0 396.376 2.065 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)[nH]1 ZINC000543783818 650924127 /nfs/dbraw/zinc/92/41/27/650924127.db2.gz OKZYYCHCKODWFL-UHFFFAOYSA-N 1 0 394.269 2.474 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2C)C1 ZINC000179804113 644475636 /nfs/dbraw/zinc/47/56/36/644475636.db2.gz XGSVPDYUNZFTOO-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180118747 644489776 /nfs/dbraw/zinc/48/97/76/644489776.db2.gz RDMNZKSVWRGLQJ-LBPRGKRZSA-N 1 0 393.893 2.192 20 0 GEADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)NNc1cc[nH+]cc1 ZINC000180468060 644504000 /nfs/dbraw/zinc/50/40/00/644504000.db2.gz XJPWAYMVPDMFGR-UHFFFAOYSA-N 1 0 388.225 2.087 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000181131481 644524914 /nfs/dbraw/zinc/52/49/14/644524914.db2.gz SYDOMRAOTHSRRP-RYUDHWBXSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000543992105 650929931 /nfs/dbraw/zinc/92/99/31/650929931.db2.gz OTGXGEKOAUAVSI-BXUZGUMPSA-N 1 0 389.315 2.333 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000544026043 650931195 /nfs/dbraw/zinc/93/11/95/650931195.db2.gz ZEKYXRXOAMXKLH-PBHICJAKSA-N 1 0 397.313 2.317 20 0 GEADRO COc1cccc(C[C@@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)n1 ZINC000544039195 650931490 /nfs/dbraw/zinc/93/14/90/650931490.db2.gz BTACJLWHPRVNFM-GFCCVEGCSA-N 1 0 383.539 2.268 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)N[C@@H](CO)c2cccc(Cl)c2F)CCSC1 ZINC000544054328 650932064 /nfs/dbraw/zinc/93/20/64/650932064.db2.gz ZMYISJILRXZFHL-BBRMVZONSA-N 1 0 375.897 2.249 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000544392278 650940937 /nfs/dbraw/zinc/94/09/37/650940937.db2.gz SODNVLZLEFMIBX-LLVKDONJSA-N 1 0 385.306 2.408 20 0 GEADRO Cn1ccc([C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)c2ccc(Cl)cc2)n1 ZINC000544574959 650944415 /nfs/dbraw/zinc/94/44/15/650944415.db2.gz NSBIXKCPAFLGDT-QGZVFWFLSA-N 1 0 382.917 2.177 20 0 GEADRO CC(C)C[C@H](NC(=O)c1ccc(F)c(Cl)c1F)C(=O)NCC[NH+](C)C ZINC000544943729 650959046 /nfs/dbraw/zinc/95/90/46/650959046.db2.gz USEQIVZTWMFNRW-ZDUSSCGKSA-N 1 0 375.847 2.441 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545153690 650962846 /nfs/dbraw/zinc/96/28/46/650962846.db2.gz RDUAHUJYQCJRPV-MEBBXXQBSA-N 1 0 391.693 2.053 20 0 GEADRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000181653582 644942817 /nfs/dbraw/zinc/94/28/17/644942817.db2.gz KQCLFGLZEIJKCJ-CYBMUJFWSA-N 1 0 386.539 2.253 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000181711834 644943256 /nfs/dbraw/zinc/94/32/56/644943256.db2.gz BZEUTTKUEMKCFU-MRXNPFEDSA-N 1 0 378.300 2.122 20 0 GEADRO CN(C)C(=O)CC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000182163746 644958925 /nfs/dbraw/zinc/95/89/25/644958925.db2.gz YLOKQJZGXGPFDG-INIZCTEOSA-N 1 0 399.329 2.379 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cnc1Br ZINC000182710399 644968647 /nfs/dbraw/zinc/96/86/47/644968647.db2.gz WFVPXLQUDKSYBW-CQSZACIVSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cnc1Br ZINC000182714433 644968719 /nfs/dbraw/zinc/96/87/19/644968719.db2.gz HHNBVRUAVYPZGL-UHFFFAOYSA-N 1 0 397.317 2.281 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cnc1Br ZINC000182716232 644968726 /nfs/dbraw/zinc/96/87/26/644968726.db2.gz AESLEZLJDCJBAE-LBPRGKRZSA-N 1 0 397.317 2.329 20 0 GEADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)nc1Br ZINC000183048641 644977602 /nfs/dbraw/zinc/97/76/02/644977602.db2.gz ZABGLZQZDVOPGB-UHFFFAOYSA-N 1 0 393.285 2.452 20 0 GEADRO C[C@H](CCNC(=O)c1cnn2cc(Br)cnc12)[NH+]1CCCCC1 ZINC000183165119 644983587 /nfs/dbraw/zinc/98/35/87/644983587.db2.gz KCHYUAKMPMTOGO-GFCCVEGCSA-N 1 0 380.290 2.486 20 0 GEADRO COC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000545301265 650968225 /nfs/dbraw/zinc/96/82/25/650968225.db2.gz XXFLMYYGGCSPMO-LBPRGKRZSA-N 1 0 382.096 2.281 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183502181 644996295 /nfs/dbraw/zinc/99/62/95/644996295.db2.gz DVTFQUOTLRWOFY-NSHDSACASA-N 1 0 396.285 2.384 20 0 GEADRO O=c1ccn(C[N@@H+]2CCO[C@]3(CCOC3)C2)c2c(Br)cccc12 ZINC000184291257 645016141 /nfs/dbraw/zinc/01/61/41/645016141.db2.gz DLFVOALLELAGCX-QGZVFWFLSA-N 1 0 379.254 2.213 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cncc(Br)c2)CC1 ZINC000184573156 645021484 /nfs/dbraw/zinc/02/14/84/645021484.db2.gz WTBNVHMKFCLCAO-UHFFFAOYSA-N 1 0 384.322 2.382 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000186360068 645065253 /nfs/dbraw/zinc/06/52/53/645065253.db2.gz HASCUQHXZRTWNN-VIFPVBQESA-N 1 0 398.120 2.071 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000545491288 650976668 /nfs/dbraw/zinc/97/66/68/650976668.db2.gz GPRYSZDCBGXXPJ-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO C[N@H+](CCCO)C1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000187044865 645081126 /nfs/dbraw/zinc/08/11/26/645081126.db2.gz MVZKFANBHLBCSH-KRWDZBQOSA-N 1 0 389.309 2.400 20 0 GEADRO C[N@H+](Cc1nnc(-c2ccccc2Br)o1)CC1(O)CCOCC1 ZINC000187068670 645082312 /nfs/dbraw/zinc/08/23/12/645082312.db2.gz RVFOFAKMQDZYPA-UHFFFAOYSA-N 1 0 382.258 2.472 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000187197695 645085096 /nfs/dbraw/zinc/08/50/96/645085096.db2.gz SCSPVRQPWZOFTB-AWEZNQCLSA-N 1 0 386.334 2.384 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1Br ZINC000188110067 645108410 /nfs/dbraw/zinc/10/84/10/645108410.db2.gz BKABVEKEQVNFMG-AWEZNQCLSA-N 1 0 392.297 2.477 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCNS(=O)(=O)c1cccnc1 ZINC000188313442 645113486 /nfs/dbraw/zinc/11/34/86/645113486.db2.gz YJBVAHQGTHFWIP-ZDUSSCGKSA-N 1 0 398.326 2.343 20 0 GEADRO COc1cc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc(OC)c1Br ZINC000188996750 645130221 /nfs/dbraw/zinc/13/02/21/645130221.db2.gz NVRIMWFWZUWJSA-UHFFFAOYSA-N 1 0 381.230 2.087 20 0 GEADRO Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Cl)n1 ZINC000189739949 645141150 /nfs/dbraw/zinc/14/11/50/645141150.db2.gz GRAFZMVJRIRSTD-HUUCEWRRSA-N 1 0 387.933 2.090 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1Cl ZINC000545876369 650983192 /nfs/dbraw/zinc/98/31/92/650983192.db2.gz IMBGAHVSVMIVAL-INIZCTEOSA-N 1 0 392.283 2.207 20 0 GEADRO CC(C)OCC[NH+]1CCC(Nc2ncc(I)cn2)CC1 ZINC000545915587 650985016 /nfs/dbraw/zinc/98/50/16/650985016.db2.gz KMXRKXFDELOYPV-UHFFFAOYSA-N 1 0 390.269 2.383 20 0 GEADRO Ic1cnc(NCC2([NH+]3CCCC3)CCOCC2)nc1 ZINC000545916670 650985705 /nfs/dbraw/zinc/98/57/05/650985705.db2.gz QKQNDFRYLBVNAE-UHFFFAOYSA-N 1 0 388.253 2.138 20 0 GEADRO CN1C(=O)C[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000192157329 645197077 /nfs/dbraw/zinc/19/70/77/645197077.db2.gz WCNUSTAQZZJTBL-TZMCWYRMSA-N 1 0 377.794 2.270 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000546032114 650988318 /nfs/dbraw/zinc/98/83/18/650988318.db2.gz JRODBMINOSTLNW-SNVBAGLBSA-N 1 0 386.265 2.293 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000192418317 645203973 /nfs/dbraw/zinc/20/39/73/645203973.db2.gz SRMYCBRDOFENRE-GFCCVEGCSA-N 1 0 387.347 2.148 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000192924923 645231064 /nfs/dbraw/zinc/23/10/64/645231064.db2.gz NDGPQJJMPUSDDD-BETUJISGSA-N 1 0 397.317 2.267 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000192961210 645234293 /nfs/dbraw/zinc/23/42/93/645234293.db2.gz HYXNFURWLVWVLC-UHFFFAOYSA-N 1 0 382.917 2.151 20 0 GEADRO O=C(CCc1c[nH]cn1)NCCCNC(=O)c1cccc(Br)c1 ZINC000193055162 645235868 /nfs/dbraw/zinc/23/58/68/645235868.db2.gz DUKYLXIQBIZDGY-UHFFFAOYSA-N 1 0 379.258 2.041 20 0 GEADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000193035135 645236084 /nfs/dbraw/zinc/23/60/84/645236084.db2.gz WHTOJTJFONWYEF-SJKOYZFVSA-N 1 0 387.933 2.228 20 0 GEADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193233302 645253287 /nfs/dbraw/zinc/25/32/87/645253287.db2.gz OJWZRJXOUHFILL-GJZGRUSLSA-N 1 0 388.917 2.318 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000193246663 645255333 /nfs/dbraw/zinc/25/53/33/645255333.db2.gz FKQQTHADXGFNJB-VIFPVBQESA-N 1 0 381.267 2.099 20 0 GEADRO O=S(=O)(NCC[NH2+]C1CC1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000193258348 645257109 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COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000193293523 645263543 /nfs/dbraw/zinc/26/35/43/645263543.db2.gz MTGXXVDCGSTVGV-CABZTGNLSA-N 1 0 395.294 2.393 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000193305788 645264921 /nfs/dbraw/zinc/26/49/21/645264921.db2.gz ZOPIRZDZIBIYRV-VIFPVBQESA-N 1 0 383.283 2.393 20 0 GEADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000193323584 645267272 /nfs/dbraw/zinc/26/72/72/645267272.db2.gz DHRWQYKEHIHUHT-OKILXGFUSA-N 1 0 381.295 2.442 20 0 GEADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Br)cc2c1OCC2)C1CCCC1 ZINC000193321498 645267501 /nfs/dbraw/zinc/26/75/01/645267501.db2.gz UCZQQPGXEJHGNM-CYBMUJFWSA-N 1 0 389.315 2.180 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)s2)CC1 ZINC000193553643 645282795 /nfs/dbraw/zinc/28/27/95/645282795.db2.gz HTEUQUMCVWVIGG-UONOGXRCSA-N 1 0 385.555 2.039 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ncc1Br ZINC000193558736 645283884 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CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000194055726 645310213 /nfs/dbraw/zinc/31/02/13/645310213.db2.gz OVNTYBCVXSZPLZ-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000194080904 645311801 /nfs/dbraw/zinc/31/18/01/645311801.db2.gz LGQJNZRFCHKZKU-UHFFFAOYSA-N 1 0 382.302 2.381 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000194250237 645319279 /nfs/dbraw/zinc/31/92/79/645319279.db2.gz MUIBDZPBMJCZCC-PWSUYJOCSA-N 1 0 383.290 2.032 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000194346094 645323243 /nfs/dbraw/zinc/32/32/43/645323243.db2.gz UKXBELJIBIPOSQ-OLZOCXBDSA-N 1 0 395.301 2.176 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000194378062 645324949 /nfs/dbraw/zinc/32/49/49/645324949.db2.gz MWPSBVSCERKFEV-UHFFFAOYSA-N 1 0 388.917 2.479 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000194640718 645339388 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COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000195251397 645365703 /nfs/dbraw/zinc/36/57/03/645365703.db2.gz UPLZECRPZRYYHL-UHFFFAOYSA-N 1 0 388.295 2.467 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)COc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000198903932 645383471 /nfs/dbraw/zinc/38/34/71/645383471.db2.gz MPVFCPWTJOMUFO-ZIAGYGMSSA-N 1 0 385.302 2.443 20 0 GEADRO O=C(c1cc(Br)ccc1I)N1CC[NH2+]CC1 ZINC000226129000 645389875 /nfs/dbraw/zinc/38/98/75/645389875.db2.gz IRLKOORQCOGTGO-UHFFFAOYSA-N 1 0 395.038 2.099 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072453 645392578 /nfs/dbraw/zinc/39/25/78/645392578.db2.gz KBJQGZXTBPALBN-WCQYABFASA-N 1 0 387.265 2.207 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cc(Br)c(Cl)s2)C1 ZINC000227907502 645394397 /nfs/dbraw/zinc/39/43/97/645394397.db2.gz IXXNCCGQCAEXRH-SECBINFHSA-N 1 0 380.739 2.451 20 0 GEADRO C[C@]1(NS(=O)(=O)c2cc(Br)ccc2Br)CC[NH2+]C1 ZINC000230736640 645399783 /nfs/dbraw/zinc/39/97/83/645399783.db2.gz 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GEADRO CN1CC[N@H+](CCCNC(=O)[C@H]2CSCCS2)[C@H](c2ccccc2)C1 ZINC000252652298 645566022 /nfs/dbraw/zinc/56/60/22/645566022.db2.gz QOKQERCPOAWUPL-ZWKOTPCHSA-N 1 0 379.595 2.330 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000253106723 645568228 /nfs/dbraw/zinc/56/82/28/645568228.db2.gz DEEQYNPQEHUASG-LBPRGKRZSA-N 1 0 377.279 2.447 20 0 GEADRO C[C@@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000253199484 645568326 /nfs/dbraw/zinc/56/83/26/645568326.db2.gz WLJIGLYOAKPFDE-CHWSQXEVSA-N 1 0 375.332 2.140 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000253355443 645569686 /nfs/dbraw/zinc/56/96/86/645569686.db2.gz AZWLJXKNGUFCEI-VXGBXAGGSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261621410 645590699 /nfs/dbraw/zinc/59/06/99/645590699.db2.gz DKUACRXQOVZMMS-NHYWBVRUSA-N 1 0 387.265 2.289 20 0 GEADRO C[C@]([NH3+])(C(=O)NCCNC(=O)c1cccs1)c1ccc(Br)cc1 ZINC000261649563 645593159 /nfs/dbraw/zinc/59/31/59/645593159.db2.gz DJLZZSBLPXRINY-MRXNPFEDSA-N 1 0 396.310 2.231 20 0 GEADRO CC(C)(C)N1C[C@@H](NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1=O ZINC000261641572 645593165 /nfs/dbraw/zinc/59/31/65/645593165.db2.gz CPZCWCWZMBNCGK-SUMWQHHRSA-N 1 0 382.302 2.139 20 0 GEADRO O=S(=O)(NCCN1CC[NH2+]C[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000261704197 645595049 /nfs/dbraw/zinc/59/50/49/645595049.db2.gz KADAUXPVVWMIQR-GOSISDBHSA-N 1 0 379.913 2.265 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)n1 ZINC000261718253 645595715 /nfs/dbraw/zinc/59/57/15/645595715.db2.gz JIZJHTDIBUTUNI-AAEUAGOBSA-N 1 0 384.527 2.158 20 0 GEADRO COC[C@]1(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCC[NH2+]1 ZINC000261719853 645596435 /nfs/dbraw/zinc/59/64/35/645596435.db2.gz QMWJMKNGYHGDAV-CYBMUJFWSA-N 1 0 386.823 2.406 20 0 GEADRO O=C(CCOc1ccc(Cl)cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261762596 645597981 /nfs/dbraw/zinc/59/79/81/645597981.db2.gz FJTKDGZXUUXRSX-CQSZACIVSA-N 1 0 379.810 2.061 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccnn2Cc2cccc(Br)c2)O1 ZINC000261809640 645602439 /nfs/dbraw/zinc/60/24/39/645602439.db2.gz OSAJTSDCOFLMPC-KGLIPLIRSA-N 1 0 379.258 2.139 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261822064 645603504 /nfs/dbraw/zinc/60/35/04/645603504.db2.gz ASDMGFJHIMTWTI-WCFLWFBJSA-N 1 0 389.315 2.206 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000261863891 645606476 /nfs/dbraw/zinc/60/64/76/645606476.db2.gz RMFSAWJDYIQSDF-IOASZLSFSA-N 1 0 394.313 2.249 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261865253 645607020 /nfs/dbraw/zinc/60/70/20/645607020.db2.gz YIEDEJAQNDFQNX-NXEZZACHSA-N 1 0 379.707 2.333 20 0 GEADRO CCC(=O)N[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261878334 645608686 /nfs/dbraw/zinc/60/86/86/645608686.db2.gz YRJKRJMTCHPSRK-WMLDXEAASA-N 1 0 382.302 2.140 20 0 GEADRO C[C@]([NH3+])(C(=O)NCc1ccc(OCCO)cc1)c1ccc(Br)cc1 ZINC000261881194 645608965 /nfs/dbraw/zinc/60/89/65/645608965.db2.gz ZDDHIVDZHVWLQE-GOSISDBHSA-N 1 0 393.281 2.311 20 0 GEADRO [NH3+][C@H](CNC(=O)CCC(=O)c1ccc(I)cc1)C1CC1 ZINC000261899907 645610078 /nfs/dbraw/zinc/61/00/78/645610078.db2.gz DRULUKSNMDCQGS-CYBMUJFWSA-N 1 0 386.233 2.108 20 0 GEADRO O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261921989 645612694 /nfs/dbraw/zinc/61/26/94/645612694.db2.gz RSRHSTSSBPYYQK-LLVKDONJSA-N 1 0 398.743 2.315 20 0 GEADRO COc1c(Br)cccc1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261932855 645613438 /nfs/dbraw/zinc/61/34/38/645613438.db2.gz CZLWVXSMPDSQJI-AWEZNQCLSA-N 1 0 384.318 2.277 20 0 GEADRO O=C([C@H]1CCCN(Cc2c(F)cccc2Br)C1)N1CC[NH2+]CC1 ZINC000261939188 645613890 /nfs/dbraw/zinc/61/38/90/645613890.db2.gz MKYGYYWJYRALBZ-ZDUSSCGKSA-N 1 0 384.293 2.232 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000262076477 645616057 /nfs/dbraw/zinc/61/60/57/645616057.db2.gz XGXWZFROSSWAHB-RYUDHWBXSA-N 1 0 378.523 2.124 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CCC(C[NH3+])CC3)ccc2s1 ZINC000262090613 645616103 /nfs/dbraw/zinc/61/61/03/645616103.db2.gz RTLVDQMFZCLHKR-UHFFFAOYSA-N 1 0 382.507 2.437 20 0 GEADRO CS(=O)(=O)C1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[NH2+]CC1 ZINC000262257206 645622564 /nfs/dbraw/zinc/62/25/64/645622564.db2.gz TZSYKIYYTJBOFH-UHFFFAOYSA-N 1 0 382.816 2.047 20 0 GEADRO COC[C@]1(CNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)CCC[NH2+]1 ZINC000262268289 645623268 /nfs/dbraw/zinc/62/32/68/645623268.db2.gz KBBWPJQZPYLQNB-CYBMUJFWSA-N 1 0 384.445 2.345 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262292298 645625058 /nfs/dbraw/zinc/62/50/58/645625058.db2.gz WFFYHOKGBPEGIQ-GFCCVEGCSA-N 1 0 397.850 2.027 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262329570 645627869 /nfs/dbraw/zinc/62/78/69/645627869.db2.gz DMZBBERZIHHVLL-NSHDSACASA-N 1 0 393.336 2.207 20 0 GEADRO C[C@@H](C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1C[NH2+]C1 ZINC000262470485 645631910 /nfs/dbraw/zinc/63/19/10/645631910.db2.gz YFEDGBHQVQIWIK-BXKDBHETSA-N 1 0 376.810 2.304 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H](C)C1 ZINC000547524836 651029405 /nfs/dbraw/zinc/02/94/05/651029405.db2.gz SNEJVLMQMQCXJR-IACUBPJLSA-N 1 0 375.560 2.486 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000262575426 645637874 /nfs/dbraw/zinc/63/78/74/645637874.db2.gz JCOPOSNNFJSKSV-SGMGOOAPSA-N 1 0 380.286 2.046 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N(C)CC(C)(C)C[NH3+])c1ccc(Br)cc1 ZINC000262583572 645638393 /nfs/dbraw/zinc/63/83/93/645638393.db2.gz MEKDVXAQXGAGSP-HNNXBMFYSA-N 1 0 384.318 2.460 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(C)(C)C[NH3+])s2)CC1 ZINC000262589837 645638449 /nfs/dbraw/zinc/63/84/49/645638449.db2.gz RPMFUXXLEMDLTH-UHFFFAOYSA-N 1 0 387.571 2.226 20 0 GEADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000262609482 645639664 /nfs/dbraw/zinc/63/96/64/645639664.db2.gz CLBPJLTWEINJJS-CQSZACIVSA-N 1 0 399.333 2.271 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000262611749 645639913 /nfs/dbraw/zinc/63/99/13/645639913.db2.gz WATZNYGBWXJFBP-IXDOHACOSA-N 1 0 394.313 2.369 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000262612021 645639921 /nfs/dbraw/zinc/63/99/21/645639921.db2.gz FFJUKISLMCVMDF-YDHLFZDLSA-N 1 0 394.313 2.436 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000262726506 645642343 /nfs/dbraw/zinc/64/23/43/645642343.db2.gz AYXKTNHCHYQOTN-NEPJUHHUSA-N 1 0 389.315 2.363 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1Br ZINC000262739304 645643763 /nfs/dbraw/zinc/64/37/63/645643763.db2.gz BMZMMXPLFMGALW-UHFFFAOYSA-N 1 0 392.319 2.013 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262778406 645645521 /nfs/dbraw/zinc/64/55/21/645645521.db2.gz OEEUDLWSWBZXKQ-LDYMZIIASA-N 1 0 397.722 2.387 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC[NH2+]1 ZINC000262798901 645646229 /nfs/dbraw/zinc/64/62/29/645646229.db2.gz UVGFUWVIEQHXDS-VNHYZAJKSA-N 1 0 388.917 2.174 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264506654 645686769 /nfs/dbraw/zinc/68/67/69/645686769.db2.gz LBCDHBFOIWWTRA-FZMZJTMJSA-N 1 0 388.295 2.217 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000264544661 645690440 /nfs/dbraw/zinc/69/04/40/645690440.db2.gz QVTKRGBRTFJAHE-ZDUSSCGKSA-N 1 0 377.963 2.192 20 0 GEADRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C(N)=O ZINC000264577576 645693097 /nfs/dbraw/zinc/69/30/97/645693097.db2.gz ZFEZSTUCKGFREM-ZWNOBZJWSA-N 1 0 393.709 2.332 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(OC)c(Br)c2)C1 ZINC000264613087 645696128 /nfs/dbraw/zinc/69/61/28/645696128.db2.gz ZVCYQMCEMDHUIK-CQSZACIVSA-N 1 0 385.302 2.227 20 0 GEADRO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264648956 645698645 /nfs/dbraw/zinc/69/86/45/645698645.db2.gz GGGQMZLTOPFITI-CQSZACIVSA-N 1 0 393.329 2.074 20 0 GEADRO Brc1cncc(NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000264658028 645699153 /nfs/dbraw/zinc/69/91/53/645699153.db2.gz QKFRRKHKENVUEC-UHFFFAOYSA-N 1 0 377.290 2.258 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2sccc2S(=O)(=O)N(C)C)C1 ZINC000264677900 645701239 /nfs/dbraw/zinc/70/12/39/645701239.db2.gz NRTZTRDQUHUUSJ-KBPBESRZSA-N 1 0 387.571 2.096 20 0 GEADRO COc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1Br ZINC000264687743 645702836 /nfs/dbraw/zinc/70/28/36/645702836.db2.gz CSOOVTDWYKVMDP-GXTWGEPZSA-N 1 0 399.333 2.064 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000264760567 645712128 /nfs/dbraw/zinc/71/21/28/645712128.db2.gz NOAYHTSLAIJYIB-AWEZNQCLSA-N 1 0 387.571 2.239 20 0 GEADRO COc1ccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000264875663 645726179 /nfs/dbraw/zinc/72/61/79/645726179.db2.gz PZXUQYKMSCCACH-GFCCVEGCSA-N 1 0 385.306 2.215 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)CC[NH+](C)C)ccc1Cl ZINC000264924029 645727908 /nfs/dbraw/zinc/72/79/08/645727908.db2.gz QNYCQQSFGAWFGK-CYBMUJFWSA-N 1 0 389.949 2.441 20 0 GEADRO C[C@H](CNC(=O)c1cc2ccc(Br)cc2[nH]1)N1CC[NH+](C)CC1 ZINC000264996630 645736139 /nfs/dbraw/zinc/73/61/39/645736139.db2.gz DAAUEXJFCNQFRP-GFCCVEGCSA-N 1 0 379.302 2.296 20 0 GEADRO COc1cc(C[NH2+]C[C@@H](O)C2CC2)cc(I)c1OC ZINC000265079567 645739975 /nfs/dbraw/zinc/73/99/75/645739975.db2.gz HSPCQBJVXCHFGH-GFCCVEGCSA-N 1 0 377.222 2.169 20 0 GEADRO O[C@@H](COCc1cccs1)C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000265256434 645752160 /nfs/dbraw/zinc/75/21/60/645752160.db2.gz PYMCBAAAEMTLSW-MRXNPFEDSA-N 1 0 381.929 2.492 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000265341257 645753724 /nfs/dbraw/zinc/75/37/24/645753724.db2.gz ZGEPBYINFCEWIR-SJORKVTESA-N 1 0 382.961 2.385 20 0 GEADRO CC[C@@H](C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)[NH+](CC)CC ZINC000265447402 645759754 /nfs/dbraw/zinc/75/97/54/645759754.db2.gz SEZCTNMFMFCBGX-HNNXBMFYSA-N 1 0 387.571 2.138 20 0 GEADRO Cn1cc(CC[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000265612483 645781032 /nfs/dbraw/zinc/78/10/32/645781032.db2.gz OXBSSFMTYOQSNM-AWEZNQCLSA-N 1 0 392.301 2.471 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000547752658 651044183 /nfs/dbraw/zinc/04/41/83/651044183.db2.gz KIERLUZWTSMRJP-LBPRGKRZSA-N 1 0 379.262 2.246 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)CC1 ZINC000265816265 645803711 /nfs/dbraw/zinc/80/37/11/645803711.db2.gz ABVJUSJSTZYSND-UHFFFAOYSA-N 1 0 398.345 2.483 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000266281726 645834839 /nfs/dbraw/zinc/83/48/39/645834839.db2.gz JOLKSOVQEUXKGV-GFCCVEGCSA-N 1 0 376.320 2.197 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000266287480 645835822 /nfs/dbraw/zinc/83/58/22/645835822.db2.gz DEIWLKGCOJWJMF-ZDUSSCGKSA-N 1 0 379.555 2.486 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000266501708 645846088 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O=C(NCc1csc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267320617 645898308 /nfs/dbraw/zinc/89/83/08/645898308.db2.gz KEBKEQJIJLHYON-LBPRGKRZSA-N 1 0 388.331 2.374 20 0 GEADRO COC[C@](C)(CCO)[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000267933510 645936714 /nfs/dbraw/zinc/93/67/14/645936714.db2.gz WSTRASCFQYCYSG-HNNXBMFYSA-N 1 0 377.254 2.294 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000267943135 645937838 /nfs/dbraw/zinc/93/78/38/645937838.db2.gz HTXQVESUSHYTRW-HZPDHXFCSA-N 1 0 386.583 2.474 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000268033369 645941322 /nfs/dbraw/zinc/94/13/22/645941322.db2.gz ZKYBUWLFDWJBGJ-LLVKDONJSA-N 1 0 375.698 2.470 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000268101616 645943677 /nfs/dbraw/zinc/94/36/77/645943677.db2.gz IBNFESVPDLYSIH-UONOGXRCSA-N 1 0 394.313 2.355 20 0 GEADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000268144083 645948001 /nfs/dbraw/zinc/94/80/01/645948001.db2.gz JUMHVNJWKDTFLL-GDBMZVCRSA-N 1 0 382.346 2.380 20 0 GEADRO C[C@H](C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000268188247 645951202 /nfs/dbraw/zinc/95/12/02/645951202.db2.gz MQLFWNPEFNVYBF-STQMWFEESA-N 1 0 392.974 2.472 20 0 GEADRO C[C@H](C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000268188244 645951330 /nfs/dbraw/zinc/95/13/30/645951330.db2.gz MQLFWNPEFNVYBF-QWHCGFSZSA-N 1 0 392.974 2.472 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1Br ZINC000268370305 645963145 /nfs/dbraw/zinc/96/31/45/645963145.db2.gz FXYBYCOIRRRGNT-CYBMUJFWSA-N 1 0 388.693 2.172 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2c(F)cccc2I)C1 ZINC000268529610 645974321 /nfs/dbraw/zinc/97/43/21/645974321.db2.gz WYSKIDQKFPWBDU-SNVBAGLBSA-N 1 0 376.213 2.454 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000268784107 645998505 /nfs/dbraw/zinc/99/85/05/645998505.db2.gz DGSJFCPINKEDTK-JSGCOSHPSA-N 1 0 386.309 2.129 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000268785277 645999407 /nfs/dbraw/zinc/99/94/07/645999407.db2.gz BFMLIWBUGNVWAD-QGZVFWFLSA-N 1 0 384.293 2.329 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)CC[C@H]21 ZINC000268887964 646003049 /nfs/dbraw/zinc/00/30/49/646003049.db2.gz XPCHDQDDIGLJBK-BXUZGUMPSA-N 1 0 377.432 2.273 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000269095987 646015027 /nfs/dbraw/zinc/01/50/27/646015027.db2.gz MFWAWCJDIDPORD-YPMHNXCESA-N 1 0 375.416 2.007 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000269223413 646023018 /nfs/dbraw/zinc/02/30/18/646023018.db2.gz UANWYMYATOCTLM-BJJXKVORSA-N 1 0 381.929 2.359 20 0 GEADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269224617 646023104 /nfs/dbraw/zinc/02/31/04/646023104.db2.gz MTSOFSOUJMCTMQ-DZGCQCFKSA-N 1 0 383.286 2.500 20 0 GEADRO C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1CCC[NH2+]C1 ZINC000269229274 646023682 /nfs/dbraw/zinc/02/36/82/646023682.db2.gz VKSYSUKSVZVLTM-MJBXVCDLSA-N 1 0 394.313 2.306 20 0 GEADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@](C)(C[NH3+])CC(C)C)ccc1Cl ZINC000269239468 646024129 /nfs/dbraw/zinc/02/41/29/646024129.db2.gz CELFFYUMEFRJEL-INIZCTEOSA-N 1 0 391.921 2.015 20 0 GEADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000269277806 646024344 /nfs/dbraw/zinc/02/43/44/646024344.db2.gz YFCGLVYPIRPSEU-NDMJEZRESA-N 1 0 378.274 2.257 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(Br)cn3)CC2)CC1 ZINC000269374976 646032485 /nfs/dbraw/zinc/03/24/85/646032485.db2.gz NCIAYSBGEORLHN-UHFFFAOYSA-N 1 0 395.345 2.475 20 0 GEADRO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(Br)c1 ZINC000269946664 646075639 /nfs/dbraw/zinc/07/56/39/646075639.db2.gz GKHRHABLMXVLKK-MRXNPFEDSA-N 1 0 396.329 2.430 20 0 GEADRO Cc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)s1 ZINC000269983327 646079384 /nfs/dbraw/zinc/07/93/84/646079384.db2.gz NKPMFYFSRFEFPO-UHFFFAOYSA-N 1 0 375.466 2.482 20 0 GEADRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000270159302 646089271 /nfs/dbraw/zinc/08/92/71/646089271.db2.gz JBMQOYNPKCDMQW-GFCCVEGCSA-N 1 0 378.897 2.192 20 0 GEADRO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000270739250 646133140 /nfs/dbraw/zinc/13/31/40/646133140.db2.gz XCTGYOQBLVTOAB-HNNXBMFYSA-N 1 0 378.464 2.158 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000270929632 646154519 /nfs/dbraw/zinc/15/45/19/646154519.db2.gz DXJORVJOIXCFBI-ZDUSSCGKSA-N 1 0 387.311 2.005 20 0 GEADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000270962404 646158810 /nfs/dbraw/zinc/15/88/10/646158810.db2.gz AZYGIFUXTHLEIP-UHFFFAOYSA-N 1 0 382.511 2.257 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000271010303 646165248 /nfs/dbraw/zinc/16/52/48/646165248.db2.gz DMBDTRCHURZWRO-UHFFFAOYSA-N 1 0 388.339 2.342 20 0 GEADRO CS[C@@H]1CN(C(=O)Cc2c(C)nn(CC(F)(F)F)c2C)C[C@H]1[NH+](C)C ZINC000271114782 646175518 /nfs/dbraw/zinc/17/55/18/646175518.db2.gz JSTOIKJVQMWAFT-ZIAGYGMSSA-N 1 0 378.464 2.109 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2nccn3c(Br)cnc23)C1 ZINC000271216756 646181282 /nfs/dbraw/zinc/18/12/82/646181282.db2.gz BJHANCRCNAJSBE-GFCCVEGCSA-N 1 0 380.290 2.296 20 0 GEADRO O=C(c1nccn2c(Br)cnc12)N1CC[NH+](C2CCCC2)CC1 ZINC000271217936 646181937 /nfs/dbraw/zinc/18/19/37/646181937.db2.gz NVZHAGMVSMUQGI-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO COc1cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c(SC)cc1OC ZINC000271256427 646185476 /nfs/dbraw/zinc/18/54/76/646185476.db2.gz JVVLHLLAESDFPC-UHFFFAOYSA-N 1 0 388.555 2.282 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000271464489 646209973 /nfs/dbraw/zinc/20/99/73/646209973.db2.gz HTDUYDSUVUWJNP-NHYWBVRUSA-N 1 0 381.274 2.223 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000271477885 646211139 /nfs/dbraw/zinc/21/11/39/646211139.db2.gz MTMUOVKCBABDND-BBRMVZONSA-N 1 0 377.286 2.425 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](CO)c1cnn(C)c1 ZINC000271582330 646214703 /nfs/dbraw/zinc/21/47/03/646214703.db2.gz XBUZTGPICVLXOF-XHDPSFHLSA-N 1 0 381.274 2.223 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000271844217 646233144 /nfs/dbraw/zinc/23/31/44/646233144.db2.gz LELTXLREZPMLBO-CHWSQXEVSA-N 1 0 382.507 2.149 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000271834423 646233177 /nfs/dbraw/zinc/23/31/77/646233177.db2.gz XKIVHVQAFCXNPF-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccc([S@@](C)=O)cc1 ZINC000271847677 646233918 /nfs/dbraw/zinc/23/39/18/646233918.db2.gz VEKPKMQMWDAVLC-XELLLNAOSA-N 1 0 379.507 2.162 20 0 GEADRO C[C@H](C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)N1CCc2sccc2C1 ZINC000271868816 646235943 /nfs/dbraw/zinc/23/59/43/646235943.db2.gz PMFGEJDCLCQYLG-KGLIPLIRSA-N 1 0 379.551 2.493 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC000271884768 646237139 /nfs/dbraw/zinc/23/71/39/646237139.db2.gz MDEKRIPHIOLCHG-UHFFFAOYSA-N 1 0 377.535 2.482 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000271887024 646237756 /nfs/dbraw/zinc/23/77/56/646237756.db2.gz ASNUQPWFTCPTCQ-UHFFFAOYSA-N 1 0 390.311 2.266 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000271902746 646238943 /nfs/dbraw/zinc/23/89/43/646238943.db2.gz VWCCWSPZZAFMOJ-UHFFFAOYSA-N 1 0 382.258 2.068 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000271912514 646240362 /nfs/dbraw/zinc/24/03/62/646240362.db2.gz QSUNJCIOBDKKRM-UHFFFAOYSA-N 1 0 388.212 2.044 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(Br)cc1F)CCO2 ZINC000271916724 646241144 /nfs/dbraw/zinc/24/11/44/646241144.db2.gz BEKCHAHWGSMOLC-DZGCQCFKSA-N 1 0 392.290 2.414 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000272182374 646260791 /nfs/dbraw/zinc/26/07/91/646260791.db2.gz DIXUWJSMRBDTNS-OLZOCXBDSA-N 1 0 387.933 2.180 20 0 GEADRO 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O=C(NCC1=CC[NH2+]CC1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415600502 648109841 /nfs/dbraw/zinc/10/98/41/648109841.db2.gz SUVGFBQHXUYURK-UHFFFAOYSA-N 1 0 390.640 2.216 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415630286 648111665 /nfs/dbraw/zinc/11/16/65/648111665.db2.gz DDXWNEAZWQWTSB-OQPBUACISA-N 1 0 388.237 2.494 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415632036 648112297 /nfs/dbraw/zinc/11/22/97/648112297.db2.gz PTOPBAXYWFJDDD-PELKAZGASA-N 1 0 388.237 2.494 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415808530 648112803 /nfs/dbraw/zinc/11/28/03/648112803.db2.gz MGGXRSDKJFXYMH-BDAKNGLRSA-N 1 0 390.228 2.300 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C(F)F ZINC000416423340 648122902 /nfs/dbraw/zinc/12/29/02/648122902.db2.gz UKSFXLDEWRODSE-SDDRHHMPSA-N 1 0 378.489 2.311 20 0 GEADRO Cn1cnc(CCNS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000416539715 648165616 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[NH3+]C[C@H]1CN(C(=O)NCc2csc(Br)c2)CC12CCOCC2 ZINC000417102309 648224928 /nfs/dbraw/zinc/22/49/28/648224928.db2.gz ZLLKLHYEPWHRIG-LBPRGKRZSA-N 1 0 388.331 2.408 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417105240 648225043 /nfs/dbraw/zinc/22/50/43/648225043.db2.gz PTWPHPUFHZYODD-RHSMWYFYSA-N 1 0 395.345 2.069 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417178913 648229337 /nfs/dbraw/zinc/22/93/37/648229337.db2.gz NIOBYYIUGVMMIA-MNOVXSKESA-N 1 0 386.290 2.436 20 0 GEADRO C[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000417231459 648235560 /nfs/dbraw/zinc/23/55/60/648235560.db2.gz YLLLPRRKWKRSJL-STQMWFEESA-N 1 0 397.317 2.465 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417229852 648235636 /nfs/dbraw/zinc/23/56/36/648235636.db2.gz VFFHLSCSLBXXKB-CQSZACIVSA-N 1 0 385.306 2.450 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)C(F)F ZINC000417231002 648235679 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O=C(NCCCOc1ccc(Cl)cc1Cl)NC[C@H]1C[NH2+]CCCO1 ZINC000417337772 648239662 /nfs/dbraw/zinc/23/96/62/648239662.db2.gz XQYQLJWQSNPORL-CYBMUJFWSA-N 1 0 376.284 2.440 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417362675 648240545 /nfs/dbraw/zinc/24/05/45/648240545.db2.gz FEFNRFBALRBSAK-ZDUSSCGKSA-N 1 0 397.317 2.385 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417363718 648240574 /nfs/dbraw/zinc/24/05/74/648240574.db2.gz GRIQWQZEQJYANL-ZDUSSCGKSA-N 1 0 383.290 2.137 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417372498 648241578 /nfs/dbraw/zinc/24/15/78/648241578.db2.gz YVSCGVAEQTXCIF-DOMZBBRYSA-N 1 0 397.317 2.383 20 0 GEADRO COc1cc(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc(Br)c1OC ZINC000417377460 648241925 /nfs/dbraw/zinc/24/19/25/648241925.db2.gz PLRQLSGIXOVRDR-QWRGUYRKSA-N 1 0 386.290 2.358 20 0 GEADRO COC[C@@]1(CNC(=O)NCc2cc(Br)ccc2OC)CCC[NH2+]1 ZINC000417380910 648242399 /nfs/dbraw/zinc/24/23/99/648242399.db2.gz LNORTJWWDJMUHJ-INIZCTEOSA-N 1 0 386.290 2.026 20 0 GEADRO COC[C@]1(CNC(=O)NCc2cc(Br)ccc2OC)CCC[NH2+]1 ZINC000417380911 648242472 /nfs/dbraw/zinc/24/24/72/648242472.db2.gz LNORTJWWDJMUHJ-MRXNPFEDSA-N 1 0 386.290 2.026 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417427017 648244299 /nfs/dbraw/zinc/24/42/99/648244299.db2.gz IFEMDEVILMYNRJ-CYBMUJFWSA-N 1 0 384.318 2.391 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCc2ccc(I)s2)C1 ZINC000417438604 648245834 /nfs/dbraw/zinc/24/58/34/648245834.db2.gz JVJYCMJPMPPRJY-ZJUUUORDSA-N 1 0 393.294 2.322 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000417448410 648246883 /nfs/dbraw/zinc/24/68/83/648246883.db2.gz UOFFPJUTRMXHAC-ZYHUDNBSSA-N 1 0 386.290 2.406 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@H](CC[NH3+])C(F)F)cc1OC ZINC000417449623 648247316 /nfs/dbraw/zinc/24/73/16/648247316.db2.gz YLHVXBFZXBSHRY-SNVBAGLBSA-N 1 0 396.232 2.248 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000417477099 648247650 /nfs/dbraw/zinc/24/76/50/648247650.db2.gz CIGPTXJNXQNQFC-STQMWFEESA-N 1 0 397.317 2.465 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417605565 648256520 /nfs/dbraw/zinc/25/65/20/648256520.db2.gz YPJJLGBSNXEDGX-RRFJBIMHSA-N 1 0 393.329 2.279 20 0 GEADRO COCC1(CNC(=O)NCc2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000417609693 648256548 /nfs/dbraw/zinc/25/65/48/648256548.db2.gz LABMVXISFODNDC-UHFFFAOYSA-N 1 0 388.281 2.404 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)NCC1(c2cccc(Br)c2)CC1 ZINC000417659916 648257512 /nfs/dbraw/zinc/25/75/12/648257512.db2.gz MBVVDECIURGXGH-UHFFFAOYSA-N 1 0 395.345 2.075 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)C(F)F ZINC000417731481 648260185 /nfs/dbraw/zinc/26/01/85/648260185.db2.gz FTKGNNBAHUWPDV-SECBINFHSA-N 1 0 390.740 2.414 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417735691 648260306 /nfs/dbraw/zinc/26/03/06/648260306.db2.gz SKBBEDNJUVKJSC-QWHCGFSZSA-N 1 0 393.289 2.303 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417735693 648260365 /nfs/dbraw/zinc/26/03/65/648260365.db2.gz SKBBEDNJUVKJSC-STQMWFEESA-N 1 0 393.289 2.303 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H](C)C[NH2+]1 ZINC000417742186 648261046 /nfs/dbraw/zinc/26/10/46/648261046.db2.gz ZSSUEIKEXGOBAO-GHMZBOCLSA-N 1 0 393.289 2.126 20 0 GEADRO C[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)Oc1cccc(Br)c1 ZINC000417799093 648262460 /nfs/dbraw/zinc/26/24/60/648262460.db2.gz RWZNHWNZXHRRLG-CABZTGNLSA-N 1 0 380.233 2.498 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417864526 648263455 /nfs/dbraw/zinc/26/34/55/648263455.db2.gz BMPVQUKUJCGFJM-GXSJLCMTSA-N 1 0 379.814 2.369 20 0 GEADRO C[C@@H](NC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H](C)[NH3+] ZINC000417869140 648263574 /nfs/dbraw/zinc/26/35/74/648263574.db2.gz HIZHTFJYRHXDAB-NGZCFLSTSA-N 1 0 379.814 2.367 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417874725 648263832 /nfs/dbraw/zinc/26/38/32/648263832.db2.gz NHYKHJZCDNWNHR-QWRGUYRKSA-N 1 0 379.814 2.369 20 0 GEADRO [NH3+]CCCCNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417878274 648264046 /nfs/dbraw/zinc/26/40/46/648264046.db2.gz QSVBSYPLKNTIKN-NSHDSACASA-N 1 0 379.814 2.371 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417892353 648265012 /nfs/dbraw/zinc/26/50/12/648265012.db2.gz MATANDFRIVNKGD-BXKDBHETSA-N 1 0 380.246 2.303 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417901440 648265606 /nfs/dbraw/zinc/26/56/06/648265606.db2.gz VUKIUUBLKGNBJE-GOEBONIOSA-N 1 0 395.345 2.069 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1C(F)(F)F)N1CC[NH2+]CC1 ZINC000417944204 648267095 /nfs/dbraw/zinc/26/70/95/648267095.db2.gz CCAASWZQUFKKEN-UHFFFAOYSA-N 1 0 396.207 2.462 20 0 GEADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1I ZINC000417961973 648267306 /nfs/dbraw/zinc/26/73/06/648267306.db2.gz ZASBAOIZJQIWBL-WCQYABFASA-N 1 0 376.213 2.435 20 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ZINC000418184540 648287039 /nfs/dbraw/zinc/28/70/39/648287039.db2.gz NSNPVINPGYAJRR-OCCSQVGLSA-N 1 0 399.308 2.338 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000418223183 648287600 /nfs/dbraw/zinc/28/76/00/648287600.db2.gz XEMPGADVSZVLJR-CQSZACIVSA-N 1 0 389.283 2.081 20 0 GEADRO COC[C@@]1(CNC(=O)NCCOc2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000418234570 648289250 /nfs/dbraw/zinc/28/92/50/648289250.db2.gz IYWHWQHROXFDAB-INIZCTEOSA-N 1 0 376.284 2.440 20 0 GEADRO O=C(NCc1c(Br)cncc1Br)N[C@H]1CCC[NH2+]C1 ZINC000418238427 648289863 /nfs/dbraw/zinc/28/98/63/648289863.db2.gz PELUTMGYJNPFJT-QMMMGPOBSA-N 1 0 392.095 2.158 20 0 GEADRO O=C(NC/C=C/c1ccc(Br)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000418239559 648289909 /nfs/dbraw/zinc/28/99/09/648289909.db2.gz BGSRUHATGQFLHN-WZHGYECESA-N 1 0 393.329 2.151 20 0 GEADRO C[C@@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@@H]1C[NH3+] ZINC000418255773 648290353 /nfs/dbraw/zinc/29/03/53/648290353.db2.gz BHMZVKSYNDEDNN-MNOVXSKESA-N 1 0 380.290 2.452 20 0 GEADRO O=C(NC/C=C\c1ccc(Br)cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000418255901 648290367 /nfs/dbraw/zinc/29/03/67/648290367.db2.gz CVHQXIMXAGERMQ-NLVOMGJBSA-N 1 0 393.329 2.151 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000418295170 648291259 /nfs/dbraw/zinc/29/12/59/648291259.db2.gz HLEWPJYVGPIZAR-MRXNPFEDSA-N 1 0 399.308 2.340 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418294696 648291341 /nfs/dbraw/zinc/29/13/41/648291341.db2.gz COVSOSYLSGDYBJ-AWEZNQCLSA-N 1 0 384.318 2.041 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418298059 648291726 /nfs/dbraw/zinc/29/17/26/648291726.db2.gz LXAHXVVPXBAFKO-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418314802 648292505 /nfs/dbraw/zinc/29/25/05/648292505.db2.gz JQSUQGYZUVBQKR-HUUCEWRRSA-N 1 0 398.345 2.207 20 0 GEADRO COCCN(Cc1sccc1Br)C(=O)NC1CC[NH2+]CC1 ZINC000418313689 648292542 /nfs/dbraw/zinc/29/25/42/648292542.db2.gz VYGOICPWYBLFEK-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO [NH3+]CCCNC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000418318044 648292920 /nfs/dbraw/zinc/29/29/20/648292920.db2.gz ZPMJSFPJUCVRHX-ZDUSSCGKSA-N 1 0 387.265 2.214 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418339030 648293714 /nfs/dbraw/zinc/29/37/14/648293714.db2.gz LTJSXAQLROUCGM-LBPRGKRZSA-N 1 0 385.306 2.300 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418385784 648295867 /nfs/dbraw/zinc/29/58/67/648295867.db2.gz QMIAVUWTQDHKOC-LBPRGKRZSA-N 1 0 376.320 2.421 20 0 GEADRO [NH3+]C1CCC(NC(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000418390375 648296053 /nfs/dbraw/zinc/29/60/53/648296053.db2.gz SUJJGDDSAZEIKH-UHFFFAOYSA-N 1 0 376.320 2.284 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418408022 648296975 /nfs/dbraw/zinc/29/69/75/648296975.db2.gz GIDHVURXEYRGEC-UKPHBRMFSA-N 1 0 398.345 2.417 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)C[NH3+] ZINC000418478361 648297447 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[NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1 ZINC000418570609 648301880 /nfs/dbraw/zinc/30/18/80/648301880.db2.gz CZAXEAXVEFNNTR-FVQBIDKESA-N 1 0 384.318 2.169 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000418570612 648302287 /nfs/dbraw/zinc/30/22/87/648302287.db2.gz CZAXEAXVEFNNTR-NUEKZKHPSA-N 1 0 384.318 2.169 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000418575240 648302385 /nfs/dbraw/zinc/30/23/85/648302385.db2.gz GVMFIBQIPKGZRO-FVQBIDKESA-N 1 0 384.318 2.169 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418579608 648302845 /nfs/dbraw/zinc/30/28/45/648302845.db2.gz RPDUJNRURBVOMU-IAQYHMDHSA-N 1 0 388.281 2.090 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418591312 648303565 /nfs/dbraw/zinc/30/35/65/648303565.db2.gz UQHVSVUMQXUUBG-NWDGAFQWSA-N 1 0 376.320 2.284 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NC[C@H](CO)Cc1cccc(Br)c1C ZINC000418603102 648304383 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C[C@@H](CCC[NH3+])NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418685721 648307262 /nfs/dbraw/zinc/30/72/62/648307262.db2.gz DRKYIKGJXQWHRK-NWDGAFQWSA-N 1 0 390.297 2.166 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418691038 648307309 /nfs/dbraw/zinc/30/73/09/648307309.db2.gz DEWFXLYUHSUFGY-ZDUSSCGKSA-N 1 0 387.297 2.153 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418696519 648307686 /nfs/dbraw/zinc/30/76/86/648307686.db2.gz ZSFZHTDTCTVNRM-GFCCVEGCSA-N 1 0 395.305 2.299 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000418693801 648307726 /nfs/dbraw/zinc/30/77/26/648307726.db2.gz HELHYRIANGLYMX-ZJUUUORDSA-N 1 0 379.814 2.321 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)N[C@H](C)CCC[NH3+])cc1Br ZINC000418706494 648307736 /nfs/dbraw/zinc/30/77/36/648307736.db2.gz OSMFBDQXXQRYDH-UKRRQHHQSA-N 1 0 386.334 2.335 20 0 GEADRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000418723387 648308370 /nfs/dbraw/zinc/30/83/70/648308370.db2.gz NWNYZPAXDPDIKC-AAEUAGOBSA-N 1 0 383.290 2.204 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000418724362 648308401 /nfs/dbraw/zinc/30/84/01/648308401.db2.gz OEWOUMUTGUUYPN-NVBFEUDRSA-N 1 0 388.281 2.438 20 0 GEADRO Cc1cc(CC(C)(C)NC(=O)NC[C@H]2C[NH2+]CCN2C)ccc1Br ZINC000418753739 648309222 /nfs/dbraw/zinc/30/92/22/648309222.db2.gz DGTPKYRSHZSGEU-OAHLLOKOSA-N 1 0 397.361 2.281 20 0 GEADRO O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000418760041 648310041 /nfs/dbraw/zinc/31/00/41/648310041.db2.gz IQAIAWASLDAZJI-INIZCTEOSA-N 1 0 377.897 2.429 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418764178 648310529 /nfs/dbraw/zinc/31/05/29/648310529.db2.gz NPFHZIDHLZDOOY-OAHLLOKOSA-N 1 0 383.334 2.274 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418767701 648310971 /nfs/dbraw/zinc/31/09/71/648310971.db2.gz QYACIKUSSSKJMU-CQSZACIVSA-N 1 0 387.297 2.023 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418775395 648312076 /nfs/dbraw/zinc/31/20/76/648312076.db2.gz ZSVSIJXCMKXHAV-OAHLLOKOSA-N 1 0 399.308 2.166 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418779522 648312271 /nfs/dbraw/zinc/31/22/71/648312271.db2.gz XKMYQSDJXPKMHG-RDJZCZTQSA-N 1 0 398.345 2.432 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418782386 648312620 /nfs/dbraw/zinc/31/26/20/648312620.db2.gz DWVGNBCOMRAXAX-CMPLNLGQSA-N 1 0 376.320 2.142 20 0 GEADRO O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418787969 648312662 /nfs/dbraw/zinc/31/26/62/648312662.db2.gz JMFUNZRVVTWXSL-CLWVCHIJSA-N 1 0 382.302 2.170 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000418783695 648312670 /nfs/dbraw/zinc/31/26/70/648312670.db2.gz GEAXANZJJPOUNH-UKRRQHHQSA-N 1 0 381.318 2.408 20 0 GEADRO O=C(CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1cccc(Br)c1 ZINC000418784931 648312710 /nfs/dbraw/zinc/31/27/10/648312710.db2.gz GQJSCYGOCJXAGO-YWPYICTPSA-N 1 0 395.301 2.075 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418813809 648313462 /nfs/dbraw/zinc/31/34/62/648313462.db2.gz FAHPCIHEIIAMOG-PNPHSEOMSA-N 1 0 382.291 2.178 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000418841730 648316559 /nfs/dbraw/zinc/31/65/59/648316559.db2.gz HOPWHCLYAFGJBX-CJNGLKHVSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418842236 648316637 /nfs/dbraw/zinc/31/66/37/648316637.db2.gz IFXWNXLBPKLXRE-XPKDYRNWSA-N 1 0 396.329 2.130 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418847632 648316872 /nfs/dbraw/zinc/31/68/72/648316872.db2.gz VVUZOPTXSHPEEN-SCLBCKFNSA-N 1 0 396.329 2.002 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418892457 648321585 /nfs/dbraw/zinc/32/15/85/648321585.db2.gz NYQMZNOYLNRSAO-UBHSHLNASA-N 1 0 384.307 2.471 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418892992 648321664 /nfs/dbraw/zinc/32/16/64/648321664.db2.gz OXCJWHGNCASFHL-UBHSHLNASA-N 1 0 384.307 2.471 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418937409 648322491 /nfs/dbraw/zinc/32/24/91/648322491.db2.gz LCKYVQXJDBVIPY-WBMJQRKESA-N 1 0 394.313 2.214 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418938629 648322815 /nfs/dbraw/zinc/32/28/15/648322815.db2.gz GZKIESBHLZNMOB-MLGOLLRUSA-N 1 0 394.313 2.059 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418946093 648323705 /nfs/dbraw/zinc/32/37/05/648323705.db2.gz QWDOXVPZJPKFOD-CVEARBPZSA-N 1 0 396.329 2.384 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418948278 648324147 /nfs/dbraw/zinc/32/41/47/648324147.db2.gz QCJJSUKGERGOAR-BLLLJJGKSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@@H](CNc1nc(C(F)(F)F)c(Br)s1)N1CC[NH+](C)CC1 ZINC000418949221 648324528 /nfs/dbraw/zinc/32/45/28/648324528.db2.gz RNGZJYJWMUCWNT-QMMMGPOBSA-N 1 0 387.269 2.972 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418960277 648325575 /nfs/dbraw/zinc/32/55/75/648325575.db2.gz CNBBBZTTZMXKOY-SNVBAGLBSA-N 1 0 385.295 2.105 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419043295 648329459 /nfs/dbraw/zinc/32/94/59/648329459.db2.gz NLTFASREEHUJPG-UHFFFAOYSA-N 1 0 377.819 2.191 20 0 GEADRO Cc1sc(CNC(=O)C(=O)NC[C@H](C)C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000419046173 648329761 /nfs/dbraw/zinc/32/97/61/648329761.db2.gz PEMPQKLTAUGXIB-SNVBAGLBSA-N 1 0 380.901 2.099 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000419045550 648329773 /nfs/dbraw/zinc/32/97/73/648329773.db2.gz SPVIBRMTERVORA-UTLUCORTSA-N 1 0 378.420 2.067 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H](C)Cc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000419051416 648330527 /nfs/dbraw/zinc/33/05/27/648330527.db2.gz GGDYRIDANHNJNW-UKRRQHHQSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000419053446 648330747 /nfs/dbraw/zinc/33/07/47/648330747.db2.gz JZGCLOCFQHGAFY-FMKPAKJESA-N 1 0 396.329 2.130 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419058508 648331525 /nfs/dbraw/zinc/33/15/25/648331525.db2.gz WCWOLXCJCRZIHC-BJJXKVORSA-N 1 0 396.329 2.001 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000419060855 648331977 /nfs/dbraw/zinc/33/19/77/648331977.db2.gz CSPFHLWOFJATSS-OAHLLOKOSA-N 1 0 396.329 2.268 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000419098735 648333650 /nfs/dbraw/zinc/33/36/50/648333650.db2.gz HHDJSAORSWXNRW-JTQLQIEISA-N 1 0 380.901 2.152 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)[C@H]1CCC[NH2+]C1 ZINC000419094974 648333658 /nfs/dbraw/zinc/33/36/58/648333658.db2.gz BWFKHACROZRMSQ-MNOVXSKESA-N 1 0 380.901 2.070 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)C1CCCC1 ZINC000419100916 648334138 /nfs/dbraw/zinc/33/41/38/648334138.db2.gz JMMUDDPTKPZDJJ-ZDUSSCGKSA-N 1 0 380.901 2.200 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000419106072 648334463 /nfs/dbraw/zinc/33/44/63/648334463.db2.gz JKAMEHQWPWKCTP-GZMMTYOYSA-N 1 0 396.207 2.022 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C1CC1 ZINC000419127547 648335905 /nfs/dbraw/zinc/33/59/05/648335905.db2.gz RBQFJXOLPBUOKD-JKSUJKDBSA-N 1 0 377.897 2.461 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 ZINC000419140755 648336851 /nfs/dbraw/zinc/33/68/51/648336851.db2.gz WAQWZKIPVCHCFW-UHFFFAOYSA-N 1 0 388.295 2.265 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419144131 648337113 /nfs/dbraw/zinc/33/71/13/648337113.db2.gz ZSUAWHIPMFJNIT-NWDGAFQWSA-N 1 0 388.693 2.105 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000419154972 648337477 /nfs/dbraw/zinc/33/74/77/648337477.db2.gz RBXJSGRRNDKPQJ-ZDUSSCGKSA-N 1 0 384.307 2.400 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)CC1 ZINC000419153228 648337712 /nfs/dbraw/zinc/33/77/12/648337712.db2.gz ORGAWPMVTPENHZ-UHFFFAOYSA-N 1 0 384.307 2.481 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)C[C@@H]21 ZINC000419155384 648338054 /nfs/dbraw/zinc/33/80/54/648338054.db2.gz SVSSMAFEWZZGTL-UHOFOFEASA-N 1 0 384.307 2.238 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000419170372 648339333 /nfs/dbraw/zinc/33/93/33/648339333.db2.gz HLNVWCTWGNVTKW-GFCCVEGCSA-N 1 0 384.307 2.339 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000419179573 648339654 /nfs/dbraw/zinc/33/96/54/648339654.db2.gz WJWBXOCRZGENCH-GFCCVEGCSA-N 1 0 384.307 2.481 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419184479 648340184 /nfs/dbraw/zinc/34/01/84/648340184.db2.gz JSFXPECXXDHKHM-ZDUSSCGKSA-N 1 0 396.329 2.053 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419186228 648340276 /nfs/dbraw/zinc/34/02/76/648340276.db2.gz FFSJEGZTWUMNTJ-UHFFFAOYSA-N 1 0 396.329 2.103 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)c2ccccc2Br)CC[NH2+]1 ZINC000419190164 648340659 /nfs/dbraw/zinc/34/06/59/648340659.db2.gz QKKAPCUJRJSRBR-OLZOCXBDSA-N 1 0 396.329 2.100 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccsc1Br)C1CCCCC1 ZINC000419187828 648340683 /nfs/dbraw/zinc/34/06/83/648340683.db2.gz RSEXJQVWFQHOMD-GFCCVEGCSA-N 1 0 388.331 2.151 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000419220232 648342100 /nfs/dbraw/zinc/34/21/00/648342100.db2.gz UFVNYGSZODYANY-WFASDCNBSA-N 1 0 381.929 2.451 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]C1 ZINC000419212749 648342186 /nfs/dbraw/zinc/34/21/86/648342186.db2.gz HRAXQGWPOZQIAT-RDTXWAMCSA-N 1 0 381.929 2.499 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419279294 648343898 /nfs/dbraw/zinc/34/38/98/648343898.db2.gz IYHOUGAQQHQLFX-GLQYFDAESA-N 1 0 384.307 2.394 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000419278534 648343921 /nfs/dbraw/zinc/34/39/21/648343921.db2.gz HSQDACLGFLHXFX-STQMWFEESA-N 1 0 386.323 2.499 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419283508 648344542 /nfs/dbraw/zinc/34/45/42/648344542.db2.gz NFZPUHANEXJGTA-XIKOKIGWSA-N 1 0 384.307 2.253 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419294353 648345210 /nfs/dbraw/zinc/34/52/10/648345210.db2.gz BNYQCCQWUQMSAH-UONOGXRCSA-N 1 0 382.302 2.068 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419295945 648345298 /nfs/dbraw/zinc/34/52/98/648345298.db2.gz DIOZWHWVEJPFQB-CQSZACIVSA-N 1 0 384.318 2.172 20 0 GEADRO CCC[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000419307523 648346624 /nfs/dbraw/zinc/34/66/24/648346624.db2.gz UGNXZZKLIKWUJW-WFASDCNBSA-N 1 0 388.295 2.055 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000419328327 648347506 /nfs/dbraw/zinc/34/75/06/648347506.db2.gz ONWNJLYHNBCSNZ-MGPQQGTHSA-N 1 0 377.312 2.120 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1nc2ccc(Br)cc2n1C ZINC000419341190 648348206 /nfs/dbraw/zinc/34/82/06/648348206.db2.gz NXUZLKGXGZYYDI-CHWSQXEVSA-N 1 0 381.318 2.223 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCC(=O)Nc1ccccc1Br ZINC000419344567 648348866 /nfs/dbraw/zinc/34/88/66/648348866.db2.gz SBLJCBZRZJSLDL-KGLIPLIRSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000419348546 648349421 /nfs/dbraw/zinc/34/94/21/648349421.db2.gz XROCXHWJMMOGND-KBPBESRZSA-N 1 0 388.339 2.039 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](CC)Cc1cccc(Br)c1 ZINC000419358565 648349838 /nfs/dbraw/zinc/34/98/38/648349838.db2.gz JBBYORGOPJLZGX-KGLIPLIRSA-N 1 0 398.345 2.248 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1csc(Br)c1 ZINC000419426592 648352321 /nfs/dbraw/zinc/35/23/21/648352321.db2.gz GIJPJQYKNNTXTL-GHMZBOCLSA-N 1 0 376.320 2.107 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1Br ZINC000419505787 648355293 /nfs/dbraw/zinc/35/52/93/648355293.db2.gz KYBWPLRARUISLH-UONOGXRCSA-N 1 0 384.318 2.354 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000419512157 648355313 /nfs/dbraw/zinc/35/53/13/648355313.db2.gz ZGTGUQRZBPJABG-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1c(Cl)cccc1Cl ZINC000419517135 648355623 /nfs/dbraw/zinc/35/56/23/648355623.db2.gz LZJPUSRRCILGKU-SGTLLEGYSA-N 1 0 384.307 2.425 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419585917 648357082 /nfs/dbraw/zinc/35/70/82/648357082.db2.gz KYBGXDKRACMFBJ-NHYWBVRUSA-N 1 0 382.302 2.042 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)[C@@H]1C[NH3+] ZINC000419585501 648357140 /nfs/dbraw/zinc/35/71/40/648357140.db2.gz KEOKHCWYFOELHE-XFBWCDHKSA-N 1 0 394.313 2.138 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(Br)s1 ZINC000419674465 648362646 /nfs/dbraw/zinc/36/26/46/648362646.db2.gz ACOQERVIHDTQDH-GMTAPVOTSA-N 1 0 388.331 2.131 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(Br)s1 ZINC000419674468 648362670 /nfs/dbraw/zinc/36/26/70/648362670.db2.gz ACOQERVIHDTQDH-HBNTYKKESA-N 1 0 388.331 2.131 20 0 GEADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1nccs1 ZINC000419677387 648363189 /nfs/dbraw/zinc/36/31/89/648363189.db2.gz CQPQCXHZZXDYFA-SECBINFHSA-N 1 0 390.328 2.446 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1Br ZINC000419679427 648363605 /nfs/dbraw/zinc/36/36/05/648363605.db2.gz FSENUMXBUCMHLN-JSGCOSHPSA-N 1 0 389.315 2.144 20 0 GEADRO CCOC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000419690455 648365310 /nfs/dbraw/zinc/36/53/10/648365310.db2.gz CFHPNJQLURSVNO-CYBMUJFWSA-N 1 0 379.320 2.247 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000419704595 648367738 /nfs/dbraw/zinc/36/77/38/648367738.db2.gz HTFSRWSOXCDEMI-MNOVXSKESA-N 1 0 388.331 2.288 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccc(Br)s1 ZINC000419708569 648368569 /nfs/dbraw/zinc/36/85/69/648368569.db2.gz LSHZXPBTKXCWHI-HBNTYKKESA-N 1 0 388.331 2.274 20 0 GEADRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)OC ZINC000419714182 648370078 /nfs/dbraw/zinc/37/00/78/648370078.db2.gz SREUUESURWXYMJ-MFKMUULPSA-N 1 0 379.320 2.247 20 0 GEADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000419717943 648370936 /nfs/dbraw/zinc/37/09/36/648370936.db2.gz CQYJDIGIJMGJIV-UHFFFAOYSA-N 1 0 396.310 2.114 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419719855 648371141 /nfs/dbraw/zinc/37/11/41/648371141.db2.gz XOXDFWBPTARSPJ-BONVTDFDSA-N 1 0 388.331 2.194 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000419727950 648371684 /nfs/dbraw/zinc/37/16/84/648371684.db2.gz MIRBZAFBPDDBDE-ZANVPECISA-N 1 0 386.279 2.129 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000419732803 648372649 /nfs/dbraw/zinc/37/26/49/648372649.db2.gz SUSVTYANILBITE-GWCFXTLKSA-N 1 0 386.279 2.001 20 0 GEADRO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419732733 648372671 /nfs/dbraw/zinc/37/26/71/648372671.db2.gz SNFOSOLRAZMGQH-LBPRGKRZSA-N 1 0 393.347 2.373 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000419736217 648372967 /nfs/dbraw/zinc/37/29/67/648372967.db2.gz WXEAZCCRURQCNQ-MFKMUULPSA-N 1 0 386.279 2.131 20 0 GEADRO CCC(CC)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)OC ZINC000419742216 648373955 /nfs/dbraw/zinc/37/39/55/648373955.db2.gz DLWRZXGPMGBMLI-UHFFFAOYSA-N 1 0 379.320 2.391 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419747931 648374371 /nfs/dbraw/zinc/37/43/71/648374371.db2.gz NUYRNNDNFBMSBB-WBMJQRKESA-N 1 0 396.329 2.130 20 0 GEADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419766860 648376302 /nfs/dbraw/zinc/37/63/02/648376302.db2.gz ZBKCWHKRBQMJTB-SNVBAGLBSA-N 1 0 396.221 2.079 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419766933 648376781 /nfs/dbraw/zinc/37/67/81/648376781.db2.gz ZOWDMDOEYKUJJW-UHFFFAOYSA-N 1 0 384.210 2.065 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419771787 648377247 /nfs/dbraw/zinc/37/72/47/648377247.db2.gz FUQIIJPTRCNHRP-GJZGRUSLSA-N 1 0 398.276 2.024 20 0 GEADRO CC[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1cc(F)cc(Br)c1 ZINC000419786007 648379043 /nfs/dbraw/zinc/37/90/43/648379043.db2.gz XTTYAJVRTCRREI-ZDUSSCGKSA-N 1 0 386.265 2.153 20 0 GEADRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C12CCC2 ZINC000419794372 648379220 /nfs/dbraw/zinc/37/92/20/648379220.db2.gz KYZJPPLXUKVPKP-KBPBESRZSA-N 1 0 389.315 2.144 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000419797029 648379434 /nfs/dbraw/zinc/37/94/34/648379434.db2.gz RIGTVQHLAOMKHO-DUVNUKRYSA-N 1 0 384.307 2.238 20 0 GEADRO OC[C@H]([NH2+]Cc1c(Br)cncc1Br)[C@@H]1CCCOC1 ZINC000419819311 648381706 /nfs/dbraw/zinc/38/17/06/648381706.db2.gz NFDOHGTVIIDLHB-RNCFNFMXSA-N 1 0 394.107 2.484 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419824334 648382768 /nfs/dbraw/zinc/38/27/68/648382768.db2.gz PNZFFXBIHYFHSX-CJNGLKHVSA-N 1 0 396.329 2.097 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419830442 648383050 /nfs/dbraw/zinc/38/30/50/648383050.db2.gz WDPDLJSAPREJQA-UHFFFAOYSA-N 1 0 398.345 2.286 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000419834212 648383674 /nfs/dbraw/zinc/38/36/74/648383674.db2.gz WWENKYFZCZVEMV-CHWSQXEVSA-N 1 0 396.329 2.082 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419835488 648384014 /nfs/dbraw/zinc/38/40/14/648384014.db2.gz VZJZAXYWADPUII-CQSZACIVSA-N 1 0 386.265 2.107 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000419837483 648384276 /nfs/dbraw/zinc/38/42/76/648384276.db2.gz CYURFZSHQHBSLP-MLGOLLRUSA-N 1 0 375.519 2.152 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000419841458 648384374 /nfs/dbraw/zinc/38/43/74/648384374.db2.gz JYPQKFHTXKJGEM-MNOVXSKESA-N 1 0 386.315 2.042 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000419843271 648384927 /nfs/dbraw/zinc/38/49/27/648384927.db2.gz MKBWOOSDVCEYRX-ZBFHGGJFSA-N 1 0 394.313 2.289 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419846527 648384959 /nfs/dbraw/zinc/38/49/59/648384959.db2.gz QDQUOOJVEUSCHE-UHFFFAOYSA-N 1 0 394.313 2.198 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419860671 648385797 /nfs/dbraw/zinc/38/57/97/648385797.db2.gz AXJVOFQNJHNVSZ-UHFFFAOYSA-N 1 0 382.302 2.184 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419895477 648386893 /nfs/dbraw/zinc/38/68/93/648386893.db2.gz OULPQIBAQAEPLD-MRXNPFEDSA-N 1 0 394.313 2.056 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419923493 648389096 /nfs/dbraw/zinc/38/90/96/648389096.db2.gz BFIVCVQJKGCMHG-ZDUSSCGKSA-N 1 0 396.329 2.127 20 0 GEADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000419930364 648389398 /nfs/dbraw/zinc/38/93/98/648389398.db2.gz YAMXKTNKKDCDTB-UHFFFAOYSA-N 1 0 384.307 2.110 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419932449 648389830 /nfs/dbraw/zinc/38/98/30/648389830.db2.gz DORQUIDBXOCWJC-WFASDCNBSA-N 1 0 382.302 2.084 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419932111 648389959 /nfs/dbraw/zinc/38/99/59/648389959.db2.gz DLBUFDOXHCYAGP-ZDUSSCGKSA-N 1 0 396.329 2.159 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000419935731 648389971 /nfs/dbraw/zinc/38/99/71/648389971.db2.gz SIDVAMCRSHLLOW-HNNXBMFYSA-N 1 0 388.295 2.009 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000419966008 648391873 /nfs/dbraw/zinc/39/18/73/648391873.db2.gz XWRZCJIGCQOODO-STQMWFEESA-N 1 0 384.318 2.458 20 0 GEADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419975349 648392275 /nfs/dbraw/zinc/39/22/75/648392275.db2.gz AJZVYCFJNBRGHM-CZUORRHYSA-N 1 0 394.313 2.184 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000419987205 648393299 /nfs/dbraw/zinc/39/32/99/648393299.db2.gz GKUPRTDKJYDPAQ-ZDUSSCGKSA-N 1 0 396.329 2.183 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419989278 648393394 /nfs/dbraw/zinc/39/33/94/648393394.db2.gz GOTMHIWYMKWBJA-GFCCVEGCSA-N 1 0 382.302 2.009 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000420003712 648395025 /nfs/dbraw/zinc/39/50/25/648395025.db2.gz VMGAQRQQLLLLDJ-LBPRGKRZSA-N 1 0 388.331 2.101 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420055228 648398347 /nfs/dbraw/zinc/39/83/47/648398347.db2.gz HWMLIZAJPOOBOJ-SWLSCSKDSA-N 1 0 382.302 2.041 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420075433 648399594 /nfs/dbraw/zinc/39/95/94/648399594.db2.gz SJQKZZPRDDVHRY-INIZCTEOSA-N 1 0 396.329 2.084 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000420082980 648400065 /nfs/dbraw/zinc/40/00/65/648400065.db2.gz VTKQWVFMHXAPMN-ZDUSSCGKSA-N 1 0 386.265 2.105 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)CCC1 ZINC000420098847 648401381 /nfs/dbraw/zinc/40/13/81/648401381.db2.gz XJBSFFYAYAHPFH-OAHLLOKOSA-N 1 0 375.519 2.281 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000420098039 648401438 /nfs/dbraw/zinc/40/14/38/648401438.db2.gz AKMKTMKDAOGSDQ-DAXOMENPSA-N 1 0 381.929 2.071 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3sccc3[C@H]2c2cccs2)CCC1 ZINC000420098846 648401630 /nfs/dbraw/zinc/40/16/30/648401630.db2.gz XJBSFFYAYAHPFH-HNNXBMFYSA-N 1 0 375.519 2.281 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420108394 648402001 /nfs/dbraw/zinc/40/20/01/648402001.db2.gz XFKRKLFFYBWPQA-LRDDRELGSA-N 1 0 394.313 2.054 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000420111411 648402356 /nfs/dbraw/zinc/40/23/56/648402356.db2.gz CQPFBGVUHMHJBB-KCXAZCMYSA-N 1 0 394.313 2.369 20 0 GEADRO CC1(CNC(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CC[NH2+]CC1 ZINC000420119358 648402783 /nfs/dbraw/zinc/40/27/83/648402783.db2.gz KTFGYCJLQJUXOD-UHFFFAOYSA-N 1 0 384.307 2.384 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420122072 648403304 /nfs/dbraw/zinc/40/33/04/648403304.db2.gz PTWNIZKMKFTVOD-TYNCELHUSA-N 1 0 382.302 2.083 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)CC[NH2+]1 ZINC000420119872 648403338 /nfs/dbraw/zinc/40/33/38/648403338.db2.gz JNKGIJMDMPLHET-UPJWGTAASA-N 1 0 394.313 2.152 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420121574 648403354 /nfs/dbraw/zinc/40/33/54/648403354.db2.gz PLHYTHVLMMDWEM-CZUORRHYSA-N 1 0 396.329 2.300 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420125095 648403622 /nfs/dbraw/zinc/40/36/22/648403622.db2.gz NHQGRMLELNOQRD-CZUORRHYSA-N 1 0 396.329 2.300 20 0 GEADRO CC1(CNC(=O)C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CC[NH2+]CC1 ZINC000420126857 648403791 /nfs/dbraw/zinc/40/37/91/648403791.db2.gz SBSOKFRTAONSBU-UHFFFAOYSA-N 1 0 384.307 2.384 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000420147848 648406096 /nfs/dbraw/zinc/40/60/96/648406096.db2.gz SZDHYDPSNHZAET-ZDUSSCGKSA-N 1 0 396.329 2.188 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000420156823 648406648 /nfs/dbraw/zinc/40/66/48/648406648.db2.gz OBJVIOMPCYODRO-CYBMUJFWSA-N 1 0 396.329 2.269 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000420158093 648406672 /nfs/dbraw/zinc/40/66/72/648406672.db2.gz PZARGBYREWLPCX-NEPJUHHUSA-N 1 0 382.302 2.009 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420161974 648407236 /nfs/dbraw/zinc/40/72/36/648407236.db2.gz HNIXUHCQXNEMHD-UHFFFAOYSA-N 1 0 394.313 2.224 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420176338 648408254 /nfs/dbraw/zinc/40/82/54/648408254.db2.gz WRFRAJCLSOBGFK-GFCCVEGCSA-N 1 0 382.302 2.054 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420194489 648408672 /nfs/dbraw/zinc/40/86/72/648408672.db2.gz JNVJSELFLOMEJS-GDBMZVCRSA-N 1 0 396.329 2.430 20 0 GEADRO NS(=O)(=O)c1cc(F)c(NCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000420209314 648409356 /nfs/dbraw/zinc/40/93/56/648409356.db2.gz RPKVUYUUGVIORW-VIFPVBQESA-N 1 0 380.283 2.037 20 0 GEADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420215159 648409789 /nfs/dbraw/zinc/40/97/89/648409789.db2.gz RZZCJDXLFVTARV-FRRDWIJNSA-N 1 0 384.307 2.456 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000420217307 648409824 /nfs/dbraw/zinc/40/98/24/648409824.db2.gz XMQGJAQHILIHOJ-KCXAZCMYSA-N 1 0 381.929 2.200 20 0 GEADRO Ic1ccc2ncnc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000420253419 648411895 /nfs/dbraw/zinc/41/18/95/648411895.db2.gz DNVFZAPVZGBSRK-WDEREUQCSA-N 1 0 380.233 2.280 20 0 GEADRO C[C@H](NC(=O)CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350441 648413553 /nfs/dbraw/zinc/41/35/53/648413553.db2.gz SVDSKODFJCARPM-DZGCQCFKSA-N 1 0 385.339 2.150 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000420363649 648414121 /nfs/dbraw/zinc/41/41/21/648414121.db2.gz OFIGEXJMHLLKAI-HNNXBMFYSA-N 1 0 386.334 2.249 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c(Br)c1 ZINC000420464983 648418249 /nfs/dbraw/zinc/41/82/49/648418249.db2.gz PVCPVRZMJHEVSF-CYBMUJFWSA-N 1 0 377.304 2.124 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420450818 648418279 /nfs/dbraw/zinc/41/82/79/648418279.db2.gz HMPQVYDAUGBQTN-QWRGUYRKSA-N 1 0 377.304 2.172 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420463606 648418285 /nfs/dbraw/zinc/41/82/85/648418285.db2.gz OCHHERNALWRQJS-OCCSQVGLSA-N 1 0 386.901 2.279 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)ccc2s1 ZINC000420465735 648418840 /nfs/dbraw/zinc/41/88/40/648418840.db2.gz ZDSVQMZOPHOKTD-DGCLKSJQSA-N 1 0 382.507 2.484 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420471390 648419258 /nfs/dbraw/zinc/41/92/58/648419258.db2.gz AOITZAOERBIXII-KRWDZBQOSA-N 1 0 388.917 2.272 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420471498 648419637 /nfs/dbraw/zinc/41/96/37/648419637.db2.gz ATAVHAXZAXZRFD-VHSXEESVSA-N 1 0 395.294 2.202 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000420472026 648419747 /nfs/dbraw/zinc/41/97/47/648419747.db2.gz BMIKGAMDTIBUFG-QWRGUYRKSA-N 1 0 377.304 2.063 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420471500 648419796 /nfs/dbraw/zinc/41/97/96/648419796.db2.gz ATAVHAXZAXZRFD-ZJUUUORDSA-N 1 0 395.294 2.202 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420472054 648419804 /nfs/dbraw/zinc/41/98/04/648419804.db2.gz YWSPAXNGBCJKIB-WFASDCNBSA-N 1 0 386.901 2.279 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000420472828 648420394 /nfs/dbraw/zinc/42/03/94/648420394.db2.gz FHBVTKBWBZUQSP-TZMCWYRMSA-N 1 0 376.906 2.174 20 0 GEADRO Cc1c(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000420483769 648422018 /nfs/dbraw/zinc/42/20/18/648422018.db2.gz WSTXHPUYQHJJNC-SJKOYZFVSA-N 1 0 382.917 2.440 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420740300 648446800 /nfs/dbraw/zinc/44/68/00/648446800.db2.gz QZVBLOGBGCJKIB-LBPRGKRZSA-N 1 0 389.905 2.022 20 0 GEADRO COc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1Br ZINC000420759434 648452346 /nfs/dbraw/zinc/45/23/46/648452346.db2.gz FBHMCADSGGPUMW-LLVKDONJSA-N 1 0 377.304 2.172 20 0 GEADRO CN(CC(=O)Nc1cccc(I)c1)C[C@H]1CCC[N@@H+]1C ZINC000421014870 648461944 /nfs/dbraw/zinc/46/19/44/648461944.db2.gz WPTIQLBNLHMNBN-CQSZACIVSA-N 1 0 387.265 2.256 20 0 GEADRO CC(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000420986190 648462011 /nfs/dbraw/zinc/46/20/11/648462011.db2.gz MEKIWMZEUUPQPM-STQMWFEESA-N 1 0 391.693 2.053 20 0 GEADRO COC1([C@H](C)[NH2+]Cc2nnnn2-c2ccccc2Br)CCOCC1 ZINC000421026247 648462452 /nfs/dbraw/zinc/46/24/52/648462452.db2.gz FJBDNDIQEQZSTG-LBPRGKRZSA-N 1 0 396.289 2.099 20 0 GEADRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000421042835 648463172 /nfs/dbraw/zinc/46/31/72/648463172.db2.gz ZRNUZIMQLYREBY-HIFRSBDPSA-N 1 0 388.302 2.363 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421292423 648484684 /nfs/dbraw/zinc/48/46/84/648484684.db2.gz AVTHBJMPIQHIOM-GFCCVEGCSA-N 1 0 398.301 2.087 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1Br ZINC000421292125 648484736 /nfs/dbraw/zinc/48/47/36/648484736.db2.gz AHJTWNGXRAIVMS-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421295318 648485242 /nfs/dbraw/zinc/48/52/42/648485242.db2.gz IBTHXIMUFBOBDO-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000421412916 648491093 /nfs/dbraw/zinc/49/10/93/648491093.db2.gz UPWPFRKMKDQGRL-CZUORRHYSA-N 1 0 398.345 2.488 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000421708002 648505506 /nfs/dbraw/zinc/50/55/06/648505506.db2.gz YVBNUAQGSWFWRS-HZPDHXFCSA-N 1 0 394.313 2.355 20 0 GEADRO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1I ZINC000421715559 648506061 /nfs/dbraw/zinc/50/60/61/648506061.db2.gz YEIXNFYXXYQWDZ-GFCCVEGCSA-N 1 0 388.249 2.466 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1Cc1ccccc1Br ZINC000421914846 648511597 /nfs/dbraw/zinc/51/15/97/648511597.db2.gz HMVOTLJZOHBKRD-WMZOPIPTSA-N 1 0 392.341 2.373 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422130564 648524880 /nfs/dbraw/zinc/52/48/80/648524880.db2.gz GPXXVGIEMMRXBO-INIZCTEOSA-N 1 0 396.329 2.003 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000422272146 648531729 /nfs/dbraw/zinc/53/17/29/648531729.db2.gz RPDCZIIISXFJPY-RBSFLKMASA-N 1 0 381.567 2.087 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422287552 648534553 /nfs/dbraw/zinc/53/45/53/648534553.db2.gz ZBIZTPCQVHOTLI-OAHLLOKOSA-N 1 0 396.329 2.235 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000422325507 648536745 /nfs/dbraw/zinc/53/67/45/648536745.db2.gz ZKNGJGWQPAKHJP-HUUCEWRRSA-N 1 0 396.329 2.363 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Br)cn1 ZINC000422382263 648541489 /nfs/dbraw/zinc/54/14/89/648541489.db2.gz RSNJDNKPFOSCRX-GFCCVEGCSA-N 1 0 397.317 2.012 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422454102 648546899 /nfs/dbraw/zinc/54/68/99/648546899.db2.gz KUKDXADXAHKWBX-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000422519246 648555885 /nfs/dbraw/zinc/55/58/85/648555885.db2.gz PIPHVNPSBQQIIT-UHFFFAOYSA-N 1 0 384.318 2.172 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422551638 648558247 /nfs/dbraw/zinc/55/82/47/648558247.db2.gz FNILMSRHGDDCBS-SUNKGSAMSA-N 1 0 388.917 2.429 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422923679 648577347 /nfs/dbraw/zinc/57/73/47/648577347.db2.gz SLSWPXYZAFCSMV-NWDGAFQWSA-N 1 0 381.782 2.016 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000422926955 648577712 /nfs/dbraw/zinc/57/77/12/648577712.db2.gz FHEMDMVUPXUUFA-DOMZBBRYSA-N 1 0 385.917 2.451 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000422990862 648579772 /nfs/dbraw/zinc/57/97/72/648579772.db2.gz AEEUWHHMZDCWFJ-SFHVURJKSA-N 1 0 394.313 2.010 20 0 GEADRO C[C@H](NCC(=O)Nc1ccc(I)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423107758 648580353 /nfs/dbraw/zinc/58/03/53/648580353.db2.gz QHHBQQQAJNQALA-FZMZJTMJSA-N 1 0 387.265 2.350 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423106868 648580375 /nfs/dbraw/zinc/58/03/75/648580375.db2.gz RMZLTMDSEFNDOC-AWEZNQCLSA-N 1 0 396.329 2.385 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423113042 648581531 /nfs/dbraw/zinc/58/15/31/648581531.db2.gz YEZWYRFKXDYYEF-DZGCQCFKSA-N 1 0 396.329 2.383 20 0 GEADRO CC(C)[C@@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000423128426 648583308 /nfs/dbraw/zinc/58/33/08/648583308.db2.gz QKKXLDQDRQDQNL-SWLSCSKDSA-N 1 0 384.318 2.305 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000423133685 648583924 /nfs/dbraw/zinc/58/39/24/648583924.db2.gz VVPAQJXZNMLPJX-OAHLLOKOSA-N 1 0 396.329 2.463 20 0 GEADRO C[C@H]1CC[NH2+][C@H](C(=O)NCCc2ccc(I)s2)C1 ZINC000423130912 648584095 /nfs/dbraw/zinc/58/40/95/648584095.db2.gz HBDJDNMKXMGGJS-ONGXEEELSA-N 1 0 378.279 2.400 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000423173250 648586746 /nfs/dbraw/zinc/58/67/46/648586746.db2.gz XQYLTRQECRYOPC-INIZCTEOSA-N 1 0 394.313 2.310 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNCc1cccnc1 ZINC000423194243 648586998 /nfs/dbraw/zinc/58/69/98/648586998.db2.gz YQSVNYLXNHFCMB-CQSZACIVSA-N 1 0 379.302 2.164 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423265591 648588973 /nfs/dbraw/zinc/58/89/73/648588973.db2.gz CHRNTADCKANIKC-NSHDSACASA-N 1 0 398.280 2.280 20 0 GEADRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423478340 648592135 /nfs/dbraw/zinc/59/21/35/648592135.db2.gz LCEURSGTVVBGBI-KRTXAFLBSA-N 1 0 388.267 2.289 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)C1 ZINC000423513522 648593712 /nfs/dbraw/zinc/59/37/12/648593712.db2.gz CEJZATCOGFBUAM-ZBFHGGJFSA-N 1 0 394.313 2.241 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000423515665 648594099 /nfs/dbraw/zinc/59/40/99/648594099.db2.gz GBXYWDCMQBTHCY-HNNXBMFYSA-N 1 0 382.302 2.099 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N2CC[C@H](C[NH3+])C2)ccc1Br ZINC000423517494 648594187 /nfs/dbraw/zinc/59/41/87/648594187.db2.gz HPMYQUNGEDKDNR-CJNGLKHVSA-N 1 0 394.313 2.228 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423571637 648595988 /nfs/dbraw/zinc/59/59/88/648595988.db2.gz VZBACDRLGSBVSE-MCIONIFRSA-N 1 0 394.313 2.036 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000423573066 648596527 /nfs/dbraw/zinc/59/65/27/648596527.db2.gz YJMMZZHDWXXUET-UPJWGTAASA-N 1 0 382.302 2.177 20 0 GEADRO O=C(C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1)N1CC[NH2+]CC1 ZINC000423572826 648596658 /nfs/dbraw/zinc/59/66/58/648596658.db2.gz VNJXKEAGJFYLAA-UHFFFAOYSA-N 1 0 382.291 2.431 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000423624664 648597568 /nfs/dbraw/zinc/59/75/68/648597568.db2.gz QBWJVADDAZCHEH-HOCLYGCPSA-N 1 0 381.929 2.373 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000423634163 648597686 /nfs/dbraw/zinc/59/76/86/648597686.db2.gz CGTRQSIENQDOPF-LRDDRELGSA-N 1 0 394.313 2.249 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)CC1 ZINC000423659658 648598595 /nfs/dbraw/zinc/59/85/95/648598595.db2.gz FISHTKQLNZSYBM-ZDUSSCGKSA-N 1 0 396.329 2.036 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423702715 648599887 /nfs/dbraw/zinc/59/98/87/648599887.db2.gz ANQVEHZKXJKIIQ-OAHLLOKOSA-N 1 0 383.945 2.402 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000518493212 648600538 /nfs/dbraw/zinc/60/05/38/648600538.db2.gz WWCFORKUGUCQQH-SNVBAGLBSA-N 1 0 385.852 2.498 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)[C@H]1C[NH3+] ZINC000423739132 648600826 /nfs/dbraw/zinc/60/08/26/648600826.db2.gz RBIARDHKSDKLIT-GWCFXTLKSA-N 1 0 388.331 2.055 20 0 GEADRO Cc1csc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1I ZINC000423721350 648600901 /nfs/dbraw/zinc/60/09/01/648600901.db2.gz FBZQKGRZOZYBLH-VHSXEESVSA-N 1 0 376.263 2.485 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)[C@H]1C[NH3+] ZINC000423743041 648601379 /nfs/dbraw/zinc/60/13/79/648601379.db2.gz UZNPVMSAEFYGAP-PWSUYJOCSA-N 1 0 388.331 2.055 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)CC3(C[NH3+])CC3)C2=O)ccc1Br ZINC000423844431 648602606 /nfs/dbraw/zinc/60/26/06/648602606.db2.gz NFFIFMBJJSWSOE-AWEZNQCLSA-N 1 0 380.286 2.108 20 0 GEADRO COC[C@@]1(C(=O)NCCc2cc(Cl)ccc2Br)CC[NH2+]C1 ZINC000423900507 648603051 /nfs/dbraw/zinc/60/30/51/648603051.db2.gz KFHVQUDNZDCXCQ-OAHLLOKOSA-N 1 0 375.694 2.387 20 0 GEADRO CN(CC(=O)N[C@H](C[NH3+])C(C)(C)C)C(=O)c1ccc(Br)s1 ZINC000423945299 648604081 /nfs/dbraw/zinc/60/40/81/648604081.db2.gz ASOSZLQJSHTEEH-SNVBAGLBSA-N 1 0 376.320 2.072 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000423965765 648605596 /nfs/dbraw/zinc/60/55/96/648605596.db2.gz YSPDAVHNBOKTLS-CQSZACIVSA-N 1 0 398.301 2.054 20 0 GEADRO [NH3+]CCC[C@@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000423965601 648605700 /nfs/dbraw/zinc/60/57/00/648605700.db2.gz HYGBWCRMWVYPEA-OAHLLOKOSA-N 1 0 378.270 2.207 20 0 GEADRO [NH3+]C[C@@H](NC(=O)COc1cccc(I)c1)C1CCCC1 ZINC000423958693 648605822 /nfs/dbraw/zinc/60/58/22/648605822.db2.gz MJRBDWRPHLTNIL-CQSZACIVSA-N 1 0 388.249 2.304 20 0 GEADRO O=C(COc1ccc2cc(Br)ccc2c1)NC[C@@H]1C[NH2+]CCO1 ZINC000423985138 648606764 /nfs/dbraw/zinc/60/67/64/648606764.db2.gz CWQPMFGGFTWAQZ-INIZCTEOSA-N 1 0 379.254 2.086 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C[C@@]1(C)C[NH3+] ZINC000423985068 648606837 /nfs/dbraw/zinc/60/68/37/648606837.db2.gz QQYPJKGCAQBATO-FHSNZYRGSA-N 1 0 394.313 2.245 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423980683 648606892 /nfs/dbraw/zinc/60/68/92/648606892.db2.gz FHEPTQXVGWXBOE-PSTGCABASA-N 1 0 382.302 2.011 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccc(Br)cc1 ZINC000423986539 648607505 /nfs/dbraw/zinc/60/75/05/648607505.db2.gz UBLZNGUAXIUFOE-PZPSRYQVSA-N 1 0 396.329 2.460 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc(F)cc(Br)c3)C2)nn1 ZINC000424000091 648607946 /nfs/dbraw/zinc/60/79/46/648607946.db2.gz LFRPGANKRXZSOR-AWEZNQCLSA-N 1 0 382.237 2.116 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)CCc3cccc(Br)c3)C2)nn1 ZINC000424000143 648608036 /nfs/dbraw/zinc/60/80/36/648608036.db2.gz LODCUEBWSXPDKY-INIZCTEOSA-N 1 0 392.301 2.296 20 0 GEADRO CN(CC[NH3+])C(=O)c1ccc(Br)cc1I ZINC000424004663 648609140 /nfs/dbraw/zinc/60/91/40/648609140.db2.gz NEDIDADBDTZERO-UHFFFAOYSA-N 1 0 383.027 2.084 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccc(F)c(Br)c3)C2)nn1 ZINC000424008373 648609778 /nfs/dbraw/zinc/60/97/78/648609778.db2.gz WRQSDIFRMNXSBD-LBPRGKRZSA-N 1 0 382.237 2.116 20 0 GEADRO COCc1c(Br)cccc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424100405 648613042 /nfs/dbraw/zinc/61/30/42/648613042.db2.gz KVELHONOFXBVHQ-LLVKDONJSA-N 1 0 394.273 2.364 20 0 GEADRO COCc1c(Br)cccc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424100406 648613104 /nfs/dbraw/zinc/61/31/04/648613104.db2.gz KVELHONOFXBVHQ-NSHDSACASA-N 1 0 394.273 2.364 20 0 GEADRO Cc1cc(Br)c(O)c(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000424173646 648615924 /nfs/dbraw/zinc/61/59/24/648615924.db2.gz LOTJCFXBPQXCIB-SNVBAGLBSA-N 1 0 380.246 2.231 20 0 GEADRO CCOc1cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc(Br)c1OC ZINC000424201540 648616887 /nfs/dbraw/zinc/61/68/87/648616887.db2.gz HLNBDVWRIXRCLW-LBPRGKRZSA-N 1 0 385.258 2.093 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3ccc(Cl)c(Br)c3)C[C@H]2[NH3+])cn1 ZINC000424226135 648620337 /nfs/dbraw/zinc/62/03/37/648620337.db2.gz OBMOQOATDACKHX-SMDDNHRTSA-N 1 0 383.677 2.403 20 0 GEADRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(I)cc1 ZINC000424337467 648623398 /nfs/dbraw/zinc/62/33/98/648623398.db2.gz RVRSLSIGWDNMQQ-LERXQTSPSA-N 1 0 387.265 2.478 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)CCCO1 ZINC000424364918 648623829 /nfs/dbraw/zinc/62/38/29/648623829.db2.gz UFWDYNKHSHNOGA-CYBMUJFWSA-N 1 0 399.310 2.341 20 0 GEADRO [NH3+][C@H](CNC(=O)NCc1cc(Cl)cc(I)c1)C1CC1 ZINC000424477615 648630630 /nfs/dbraw/zinc/63/06/30/648630630.db2.gz LZBOBVBQCKHSDM-GFCCVEGCSA-N 1 0 393.656 2.481 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC000424660888 648637378 /nfs/dbraw/zinc/63/73/78/648637378.db2.gz VDFUVMGBJKGLGF-UHFFFAOYSA-N 1 0 384.318 2.133 20 0 GEADRO COc1ncc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Br ZINC000424728766 648642314 /nfs/dbraw/zinc/64/23/14/648642314.db2.gz BTHRUDFCMQGLLH-VHDGCEQUSA-N 1 0 398.301 2.176 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3cccc(I)c3)[C@@H]2C1 ZINC000425061202 648663469 /nfs/dbraw/zinc/66/34/69/648663469.db2.gz YCPBEZXHWNWTKM-DZGCQCFKSA-N 1 0 384.261 2.386 20 0 GEADRO CS(=O)(=O)CCCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000425433439 648677077 /nfs/dbraw/zinc/67/70/77/648677077.db2.gz LRSCKUQKIVEUBW-HNNXBMFYSA-N 1 0 387.571 2.084 20 0 GEADRO CS(=O)(=O)CCCCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000425433441 648677106 /nfs/dbraw/zinc/67/71/06/648677106.db2.gz LRSCKUQKIVEUBW-OAHLLOKOSA-N 1 0 387.571 2.084 20 0 GEADRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCCNC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000425509166 648682910 /nfs/dbraw/zinc/68/29/10/648682910.db2.gz KKXYOXZVVBTGSI-ARFHVFGLSA-N 1 0 395.297 2.306 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCCCS(C)(=O)=O)[C@H]1c1cccs1 ZINC000425568956 648685805 /nfs/dbraw/zinc/68/58/05/648685805.db2.gz JTTVWGDISJHLKC-ZBFHGGJFSA-N 1 0 387.571 2.255 20 0 GEADRO C[C@@H]1[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CCC[N@@H+]1C ZINC000426132451 648704358 /nfs/dbraw/zinc/70/43/58/648704358.db2.gz YPCPMFYYEZRYPZ-BXUZGUMPSA-N 1 0 390.347 2.497 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000428472093 648735203 /nfs/dbraw/zinc/73/52/03/648735203.db2.gz FHSXKJUTPHXPKD-GFCCVEGCSA-N 1 0 382.302 2.345 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000428556411 648736327 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C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccc(I)cc2)C1 ZINC000430563602 648763480 /nfs/dbraw/zinc/76/34/80/648763480.db2.gz JLHQCQGMJZFOQF-NEPJUHHUSA-N 1 0 387.265 2.289 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723994 648766475 /nfs/dbraw/zinc/76/64/75/648766475.db2.gz UNFAAPOJPAZPFB-GVXVVHGQSA-N 1 0 391.331 2.298 20 0 GEADRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430741001 648767477 /nfs/dbraw/zinc/76/74/77/648767477.db2.gz HOFMOXNULQCZDV-ISBNUJHVSA-N 1 0 377.304 2.074 20 0 GEADRO CCCN(CC(=O)Nc1ccc(I)cc1)[C@@H]1CC[NH2+]C1 ZINC000430944751 648771012 /nfs/dbraw/zinc/77/10/12/648771012.db2.gz NSPBVMOSOVHGMT-CQSZACIVSA-N 1 0 387.265 2.304 20 0 GEADRO Cc1csc(NC(=O)CN(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435688316 648785730 /nfs/dbraw/zinc/78/57/30/648785730.db2.gz OBCIQKUFELAOPD-ZDUSSCGKSA-N 1 0 377.539 2.491 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000435754770 648787039 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CC[C@@H]1CN(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)C[C@H](C)S1(=O)=O ZINC000553946367 651195097 /nfs/dbraw/zinc/19/50/97/651195097.db2.gz UIHWKNGLSBGTNA-YESZJQIVSA-N 1 0 375.579 2.350 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000554699304 651210869 /nfs/dbraw/zinc/21/08/69/651210869.db2.gz BVWTWUCSDDCWGZ-KGLIPLIRSA-N 1 0 398.345 2.200 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000554699303 651210877 /nfs/dbraw/zinc/21/08/77/651210877.db2.gz BVWTWUCSDDCWGZ-KBPBESRZSA-N 1 0 398.345 2.200 20 0 GEADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000556099509 651236439 /nfs/dbraw/zinc/23/64/39/651236439.db2.gz RWZXCOFBMNOULL-UHFFFAOYSA-N 1 0 379.766 2.341 20 0 GEADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000556332909 651241490 /nfs/dbraw/zinc/24/14/90/651241490.db2.gz PQRVDDBZRKILSO-UHFFFAOYSA-N 1 0 392.905 2.145 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[NH+]2CCC1CC2 ZINC000556441628 651244185 /nfs/dbraw/zinc/24/41/85/651244185.db2.gz DOZHDGNZVSLVSL-UHFFFAOYSA-N 1 0 380.286 2.374 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCCCS3(=O)=O)C2)s1 ZINC000556829449 651254755 /nfs/dbraw/zinc/25/47/55/651254755.db2.gz MQBGXUANRFYGLJ-WBVHZDCISA-N 1 0 384.567 2.304 20 0 GEADRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000556835349 651254792 /nfs/dbraw/zinc/25/47/92/651254792.db2.gz LZNGYSZUMSZZRY-CJNGLKHVSA-N 1 0 379.551 2.155 20 0 GEADRO FC(F)(F)CCN1CCC([NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000556920152 651257232 /nfs/dbraw/zinc/25/72/32/651257232.db2.gz FCGIFSYRQBQIDK-CYBMUJFWSA-N 1 0 377.373 2.256 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000557005670 651260037 /nfs/dbraw/zinc/26/00/37/651260037.db2.gz JCXPXVDPYBIYDA-LLVKDONJSA-N 1 0 379.262 2.292 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000557018234 651260372 /nfs/dbraw/zinc/26/03/72/651260372.db2.gz VXLKDTTUBLEGCC-IAQYHMDHSA-N 1 0 384.307 2.394 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000557016257 651260419 /nfs/dbraw/zinc/26/04/19/651260419.db2.gz QPXPQSMKVPFAHZ-XJKSGUPXSA-N 1 0 383.945 2.413 20 0 GEADRO CS[C@H](C)CC(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000557171136 651265560 /nfs/dbraw/zinc/26/55/60/651265560.db2.gz GDZROBNFTJKXLS-CQSZACIVSA-N 1 0 387.571 2.387 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000557262341 651267484 /nfs/dbraw/zinc/26/74/84/651267484.db2.gz UDDKQMCGIWOLPZ-UHFFFAOYSA-N 1 0 398.345 2.298 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000557253068 651267513 /nfs/dbraw/zinc/26/75/13/651267513.db2.gz WQTKVTXKBWLWIN-AWEZNQCLSA-N 1 0 396.329 2.235 20 0 GEADRO CC[C@H](CSC)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000558308033 651278580 /nfs/dbraw/zinc/27/85/80/651278580.db2.gz OQIFVMSHASZLHQ-OAHLLOKOSA-N 1 0 387.615 2.112 20 0 GEADRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc(Br)c4C3)C2=O)cn1 ZINC000559273695 651294707 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GEADRO CO[C@@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000560572727 651311820 /nfs/dbraw/zinc/31/18/20/651311820.db2.gz AYKKMOQRWIIVSK-RYUDHWBXSA-N 1 0 379.320 2.049 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)n1cc(CSCC[NH3+])nn1 ZINC000603192121 651471776 /nfs/dbraw/zinc/47/17/76/651471776.db2.gz IMDNLTABADXOIU-JTQLQIEISA-N 1 0 384.303 2.432 20 0 GEADRO C[NH2+][C@H](C)c1cn([C@@H](C)C(=O)Nc2cccc(I)c2)nn1 ZINC000603202600 651472027 /nfs/dbraw/zinc/47/20/27/651472027.db2.gz OXWRJYSISXSTBB-ZJUUUORDSA-N 1 0 399.236 2.363 20 0 GEADRO Brc1ccccc1CN1CCC([NH2+]CCN2CCOCC2)CC1 ZINC000560935245 651472310 /nfs/dbraw/zinc/47/23/10/651472310.db2.gz TXUBJGLDOAGUGP-UHFFFAOYSA-N 1 0 382.346 2.335 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc(CSCC[NH3+])nn1 ZINC000603210322 651472373 /nfs/dbraw/zinc/47/23/73/651472373.db2.gz XGMDXSZVTXPEAH-UHFFFAOYSA-N 1 0 388.324 2.435 20 0 GEADRO COC(=O)c1ccc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c(Br)c1 ZINC000603240347 651473341 /nfs/dbraw/zinc/47/33/41/651473341.db2.gz STBKVNUADJEQKV-NSHDSACASA-N 1 0 379.258 2.028 20 0 GEADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000642692577 651473729 /nfs/dbraw/zinc/47/37/29/651473729.db2.gz CJTVEROMJOQQNN-YWPYICTPSA-N 1 0 379.913 2.061 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[NH2+]1 ZINC000642692702 651473779 /nfs/dbraw/zinc/47/37/79/651473779.db2.gz RMHYNWATGFHCEO-LSDHHAIUSA-N 1 0 381.929 2.450 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)NCc2c(C)cc(Br)cc2C)CC[C@H]1[NH3+] ZINC000642712827 651473965 /nfs/dbraw/zinc/47/39/65/651473965.db2.gz QNTNSMUXCARYGZ-CZUORRHYSA-N 1 0 396.329 2.268 20 0 GEADRO C[C@H]([NH3+])CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000642726126 651474304 /nfs/dbraw/zinc/47/43/04/651474304.db2.gz AYMUIGQJKXRYQH-ZDUSSCGKSA-N 1 0 396.329 2.231 20 0 GEADRO [NH3+]CCSCc1cn(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000603257328 651474619 /nfs/dbraw/zinc/47/46/19/651474619.db2.gz JUXWRRKVGUFQDC-LLVKDONJSA-N 1 0 377.297 2.217 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000642867531 651475004 /nfs/dbraw/zinc/47/50/04/651475004.db2.gz NJXZCNVGQBFPKJ-UHFFFAOYSA-N 1 0 392.656 2.391 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000642808271 651475123 /nfs/dbraw/zinc/47/51/23/651475123.db2.gz NSRGONNJSJHIOA-OTYXRUKQSA-N 1 0 386.265 2.009 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642917671 651475362 /nfs/dbraw/zinc/47/53/62/651475362.db2.gz CSNWRZWDCUMOIQ-UHFFFAOYSA-N 1 0 382.302 2.054 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)NC[C@H](C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000642910600 651475379 /nfs/dbraw/zinc/47/53/79/651475379.db2.gz JOTCCRYUGYZLGA-QWRGUYRKSA-N 1 0 376.284 2.073 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000642906432 651475441 /nfs/dbraw/zinc/47/54/41/651475441.db2.gz JXYXTJNOEZRBAX-JKSUJKDBSA-N 1 0 394.313 2.371 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[NH+]1CCCC1 ZINC000642977984 651476500 /nfs/dbraw/zinc/47/65/00/651476500.db2.gz GRRWGCTVPMPLTO-INIZCTEOSA-N 1 0 396.329 2.416 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000603282434 651476563 /nfs/dbraw/zinc/47/65/63/651476563.db2.gz CBEUDHZROIKJBV-UHFFFAOYSA-N 1 0 379.302 2.298 20 0 GEADRO C[C@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1cncs1 ZINC000721752488 651477215 /nfs/dbraw/zinc/47/72/15/651477215.db2.gz LHHJPMSROOHAIV-STQMWFEESA-N 1 0 389.543 2.218 20 0 GEADRO CSC1(C[NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCC1 ZINC000721755160 651477238 /nfs/dbraw/zinc/47/72/38/651477238.db2.gz UULVXFLHQHHTJI-CQSZACIVSA-N 1 0 392.587 2.286 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N(CC)Cc1cc(Br)ccc1F ZINC000561267082 651477339 /nfs/dbraw/zinc/47/73/39/651477339.db2.gz CQHGNMOFHBXPNU-UHFFFAOYSA-N 1 0 388.281 2.053 20 0 GEADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1cncs1 ZINC000721752254 651477290 /nfs/dbraw/zinc/47/72/90/651477290.db2.gz LHHJPMSROOHAIV-CHWSQXEVSA-N 1 0 389.543 2.218 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000561269007 651477389 /nfs/dbraw/zinc/47/73/89/651477389.db2.gz YQGPGCAJESTTGA-HNNXBMFYSA-N 1 0 387.571 2.139 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCO1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000643095067 651477778 /nfs/dbraw/zinc/47/77/78/651477778.db2.gz ZNBYRWINEIXASG-CQSZACIVSA-N 1 0 382.869 2.399 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000725728619 651478794 /nfs/dbraw/zinc/47/87/94/651478794.db2.gz ODOWRWODRHLHIF-UHFFFAOYSA-N 1 0 378.274 2.101 20 0 GEADRO CN1CC[NH+](CCCCNc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000725788081 651479095 /nfs/dbraw/zinc/47/90/95/651479095.db2.gz PEHYUKDMTRJKFY-UHFFFAOYSA-N 1 0 379.448 2.420 20 0 GEADRO CCOC(=O)c1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000603307545 651479380 /nfs/dbraw/zinc/47/93/80/651479380.db2.gz IYKAIBTXZHIJMX-ZDUSSCGKSA-N 1 0 398.301 2.179 20 0 GEADRO CCOC(=O)c1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000603307544 651479432 /nfs/dbraw/zinc/47/94/32/651479432.db2.gz 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375.270 2.411 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000564622169 651570633 /nfs/dbraw/zinc/57/06/33/651570633.db2.gz CTYXOQILHZMRGL-FZMZJTMJSA-N 1 0 380.286 2.333 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)CC(C)C ZINC000607229457 651570552 /nfs/dbraw/zinc/57/05/52/651570552.db2.gz AHJDYVPHWRLRJM-IXDOHACOSA-N 1 0 375.579 2.398 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000729499598 651570777 /nfs/dbraw/zinc/57/07/77/651570777.db2.gz VVHGCAUYXHVOSU-VQHPVUNQSA-N 1 0 394.313 2.467 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000564631656 651571631 /nfs/dbraw/zinc/57/16/31/651571631.db2.gz BBFQVICKKQUFNL-GFCCVEGCSA-N 1 0 378.885 2.390 20 0 GEADRO CSC1(CNC(=O)N2CCOC[C@@H]2c2nc(C)cs2)CC[NH+](C)CC1 ZINC000564649927 651573342 /nfs/dbraw/zinc/57/33/42/651573342.db2.gz VONRYYVXLAZQOI-CQSZACIVSA-N 1 0 384.571 2.362 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)CS(=O)(=O)Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC000607522634 651574472 /nfs/dbraw/zinc/57/44/72/651574472.db2.gz QYAODFCDJDAZGL-RYUDHWBXSA-N 1 0 378.947 2.257 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)CS(=O)(=O)Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC000607522635 651574618 /nfs/dbraw/zinc/57/46/18/651574618.db2.gz QYAODFCDJDAZGL-VXGBXAGGSA-N 1 0 378.947 2.257 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@]23CCC(=O)N2CCS3)[C@H]1c1cccs1 ZINC000607671345 651576994 /nfs/dbraw/zinc/57/69/94/651576994.db2.gz FVEXBMNVZKUFTN-SKDZVZGDSA-N 1 0 379.551 2.313 20 0 GEADRO O[C@@H](C[NH2+]CCCOC1CCOCC1)COc1cccc(Br)c1 ZINC000564723522 651577167 /nfs/dbraw/zinc/57/71/67/651577167.db2.gz LTUSXRJHZVHPLO-HNNXBMFYSA-N 1 0 388.302 2.364 20 0 GEADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000564730188 651577562 /nfs/dbraw/zinc/57/75/62/651577562.db2.gz NJMKZXHIIKFMNW-SRVKXCTJSA-N 1 0 391.331 2.101 20 0 GEADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000607755800 651578146 /nfs/dbraw/zinc/57/81/46/651578146.db2.gz WTXSUAFMBXRVTF-HUUCEWRRSA-N 1 0 389.323 2.387 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000644955018 651579021 /nfs/dbraw/zinc/57/90/21/651579021.db2.gz LSODEODREBFGGC-DLBZAZTESA-N 1 0 396.329 2.186 20 0 GEADRO COc1ccc(Br)cc1CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000607888487 651580380 /nfs/dbraw/zinc/58/03/80/651580380.db2.gz CTXMWWONTOEIEN-UHFFFAOYSA-N 1 0 398.345 2.144 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000564798557 651580890 /nfs/dbraw/zinc/58/08/90/651580890.db2.gz XCVPDMPDZXAIMB-GHMZBOCLSA-N 1 0 388.331 2.363 20 0 GEADRO C[C@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ncc(Br)cn1 ZINC000645017134 651583697 /nfs/dbraw/zinc/58/36/97/651583697.db2.gz PILWZDLQTYIBOW-XJKSGUPXSA-N 1 0 379.302 2.383 20 0 GEADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000645196570 651592960 /nfs/dbraw/zinc/59/29/60/651592960.db2.gz PNOIZKSZRXLILB-LLVKDONJSA-N 1 0 388.281 2.223 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCC(=O)NC(C)(C)C)c1ccc(F)c(Br)c1 ZINC000645195158 651593126 /nfs/dbraw/zinc/59/31/26/651593126.db2.gz SZKYZTNSCRQOJI-JTQLQIEISA-N 1 0 388.281 2.270 20 0 GEADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)NC[C@H]1CCC[NH2+]C1 ZINC000565646347 651595287 /nfs/dbraw/zinc/59/52/87/651595287.db2.gz FUTWERPCRHBHKH-NSHDSACASA-N 1 0 394.273 2.298 20 0 GEADRO Cc1noc(CCC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000565652490 651596077 /nfs/dbraw/zinc/59/60/77/651596077.db2.gz RCKAGEYDVPJAST-UHFFFAOYSA-N 1 0 388.287 2.137 20 0 GEADRO CSC1(CNS(=O)(=O)CCCOCc2ccccc2)CC[NH+](C)CC1 ZINC000565803867 651600101 /nfs/dbraw/zinc/60/01/01/651600101.db2.gz SUFNEQWJFYJABO-UHFFFAOYSA-N 1 0 386.583 2.340 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000608660646 651604076 /nfs/dbraw/zinc/60/40/76/651604076.db2.gz BUHXGHHAMQSCMP-CQSZACIVSA-N 1 0 397.317 2.480 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000566227391 651604731 /nfs/dbraw/zinc/60/47/31/651604731.db2.gz XHTNIIKGHKYIJQ-VHSXEESVSA-N 1 0 392.283 2.199 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000608745189 651604719 /nfs/dbraw/zinc/60/47/19/651604719.db2.gz BVTUUSXHTAHQOW-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO Cc1cc(CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)ccc1Br ZINC000645452454 651605790 /nfs/dbraw/zinc/60/57/90/651605790.db2.gz NOLKEAKXYPXALC-ZDUSSCGKSA-N 1 0 397.317 2.019 20 0 GEADRO O[C@@H](C[NH2+][C@H]1c2ccccc2C[C@H]1O)COc1cccc(Br)c1 ZINC000566233257 651605799 /nfs/dbraw/zinc/60/57/99/651605799.db2.gz HVGNICWSBKWRHW-QGTPRVQTSA-N 1 0 378.266 2.437 20 0 GEADRO C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)c1cscn1)c1ccccc1O2 ZINC000645462246 651607053 /nfs/dbraw/zinc/60/70/53/651607053.db2.gz RPKYTDYDYAZWBY-CQSZACIVSA-N 1 0 379.507 2.410 20 0 GEADRO COC1CC[NH+](C2(CN3C(=O)[C@H](CCSC)NC3=S)CCCC2)CC1 ZINC000730818743 651611070 /nfs/dbraw/zinc/61/10/70/651611070.db2.gz CDOFRUMDUBNUHK-HNNXBMFYSA-N 1 0 385.599 2.248 20 0 GEADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000566812922 651614813 /nfs/dbraw/zinc/61/48/13/651614813.db2.gz YFFSXLSJLPWZRJ-UHFFFAOYSA-N 1 0 385.921 2.188 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCc2ccccc2Br)C1 ZINC000566830166 651615277 /nfs/dbraw/zinc/61/52/77/651615277.db2.gz OZYMHNMEXRXPSF-ZDUSSCGKSA-N 1 0 375.332 2.253 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(Cc3cn4cc(Br)ccc4n3)C2)CC1 ZINC000609337887 651616794 /nfs/dbraw/zinc/61/67/94/651616794.db2.gz BPLAZNREIHAJED-KRWDZBQOSA-N 1 0 392.345 2.309 20 0 GEADRO CO[C@@H](CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000645532236 651617072 /nfs/dbraw/zinc/61/70/72/651617072.db2.gz HCGSMRYJLXELCL-INIZCTEOSA-N 1 0 376.588 2.083 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000567408037 651623764 /nfs/dbraw/zinc/62/37/64/651623764.db2.gz UDYBZFQIBOMPMO-HUUCEWRRSA-N 1 0 396.329 2.363 20 0 GEADRO CSc1nc2ncnc(NC3CC[NH+](CCC(=O)N(C)C)CC3)c2s1 ZINC000731480695 651626555 /nfs/dbraw/zinc/62/65/55/651626555.db2.gz FQYKUUKBHXCHEL-UHFFFAOYSA-N 1 0 380.543 2.163 20 0 GEADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000567579860 651627150 /nfs/dbraw/zinc/62/71/50/651627150.db2.gz MNKIDALESPAMRI-RYUDHWBXSA-N 1 0 380.798 2.049 20 0 GEADRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000567600250 651628827 /nfs/dbraw/zinc/62/88/27/651628827.db2.gz NTXIRMWHKPUJQS-CMPLNLGQSA-N 1 0 379.320 2.012 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000645621804 651629104 /nfs/dbraw/zinc/62/91/04/651629104.db2.gz JUZMMRBONCJYIZ-NOZJJQNGSA-N 1 0 386.677 2.204 20 0 GEADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(I)c[nH]1 ZINC000609662121 651629105 /nfs/dbraw/zinc/62/91/05/651629105.db2.gz XSDVFPJTUMJFMS-UHFFFAOYSA-N 1 0 379.161 2.452 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000645621216 651629275 /nfs/dbraw/zinc/62/92/75/651629275.db2.gz JCRYHVFGZSGIGV-TVQRCGJNSA-N 1 0 375.778 2.460 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)ccc3Br)[C@@H]2C1 ZINC000645620250 651629338 /nfs/dbraw/zinc/62/93/38/651629338.db2.gz BLXWUEZMNCBYHU-TVQRCGJNSA-N 1 0 386.677 2.204 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 ZINC000645625673 651629907 /nfs/dbraw/zinc/62/99/07/651629907.db2.gz SBXOILCVPAHUSK-NOZJJQNGSA-N 1 0 375.778 2.460 20 0 GEADRO NC(=O)COc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000731669689 651630796 /nfs/dbraw/zinc/63/07/96/651630796.db2.gz WHPHIRPRCOTSCF-UHFFFAOYSA-N 1 0 393.285 2.347 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@@]1(C)C[NH3+] ZINC000567658466 651632595 /nfs/dbraw/zinc/63/25/95/651632595.db2.gz MOCPQMFGPXZERM-BMLIUANNSA-N 1 0 378.270 2.348 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)Cn1cccn1 ZINC000567682187 651634290 /nfs/dbraw/zinc/63/42/90/651634290.db2.gz JMHUHQIHOGIYLY-GFCCVEGCSA-N 1 0 376.201 2.398 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)O1 ZINC000567685541 651634710 /nfs/dbraw/zinc/63/47/10/651634710.db2.gz CMOROILQUXNFNH-CABCVRRESA-N 1 0 398.301 2.003 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000567845509 651637550 /nfs/dbraw/zinc/63/75/50/651637550.db2.gz HKOKNHVJYYXATC-MSOLQXFVSA-N 1 0 380.897 2.158 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000567849412 651638085 /nfs/dbraw/zinc/63/80/85/651638085.db2.gz XVPGYSKJCPTRIN-SWLSCSKDSA-N 1 0 382.302 2.297 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1)C[NH+](C)C ZINC000645726981 651643661 /nfs/dbraw/zinc/64/36/61/651643661.db2.gz ZKFDMYRFSRTAEW-LLVKDONJSA-N 1 0 388.331 2.417 20 0 GEADRO CN(C(=O)/C=C\c1ccc(I)o1)[C@@H]1C[NH+]2CCC1CC2 ZINC000732161435 651647021 /nfs/dbraw/zinc/64/70/21/651647021.db2.gz WURKRFHIVSDJCK-HSBHDXMMSA-N 1 0 386.233 2.450 20 0 GEADRO CCC(CC)[C@@H](O)C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000732231215 651650494 /nfs/dbraw/zinc/65/04/94/651650494.db2.gz LZUGHRGWRQHBRB-ZFWWWQNUSA-N 1 0 377.938 2.091 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1Cl ZINC000645834376 651657491 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O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000568714651 651676593 /nfs/dbraw/zinc/67/65/93/651676593.db2.gz GVRCEUIGBPWJLA-XTCJLCLGSA-N 1 0 385.327 2.157 20 0 GEADRO C[C@]([NH3+])(C(=O)NCCCOC[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000646063100 651677593 /nfs/dbraw/zinc/67/75/93/651677593.db2.gz LHIFLJDMSFGDQJ-CXAGYDPISA-N 1 0 385.302 2.182 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000568744981 651678884 /nfs/dbraw/zinc/67/88/84/651678884.db2.gz MIABIZPVQXHWMK-SMDDNHRTSA-N 1 0 395.301 2.019 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(Cl)cc(I)c1)Cn1cccn1 ZINC000568754164 651679639 /nfs/dbraw/zinc/67/96/39/651679639.db2.gz DVMPKEUKITWLQM-CYBMUJFWSA-N 1 0 391.640 2.292 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N1CCc2ccc(Br)cc21)[NH+]1CCCCC1 ZINC000732894302 651680163 /nfs/dbraw/zinc/68/01/63/651680163.db2.gz KLUIKWLPGFJQMX-ZDUSSCGKSA-N 1 0 394.313 2.329 20 0 GEADRO [NH3+]Cc1ccc(CNC(=O)NCCCCn2cc(Br)cn2)cc1 ZINC000646192797 651681446 /nfs/dbraw/zinc/68/14/46/651681446.db2.gz 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GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000611206750 651714275 /nfs/dbraw/zinc/71/42/75/651714275.db2.gz CKBABDHKFKKDPF-QMTHXVAHSA-N 1 0 388.249 2.321 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000569459610 651715401 /nfs/dbraw/zinc/71/54/01/651715401.db2.gz ZTNVFJOSTXNSDD-ZFWWWQNUSA-N 1 0 381.318 2.327 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000611243127 651716085 /nfs/dbraw/zinc/71/60/85/651716085.db2.gz YZMWGMZIBTUYBB-KBPBESRZSA-N 1 0 398.472 2.392 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN(C)C1(C[NH3+])CCC1 ZINC000569487145 651717227 /nfs/dbraw/zinc/71/72/27/651717227.db2.gz DRNIDECYFOTZPG-UHFFFAOYSA-N 1 0 384.318 2.100 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C)n1)[C@@H]1CC[N@H+](C)C1 ZINC000646764792 651717662 /nfs/dbraw/zinc/71/76/62/651717662.db2.gz WWYVUZGKFQOARF-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000569738035 651721095 /nfs/dbraw/zinc/72/10/95/651721095.db2.gz RDXYYNKARDHGCM-MRXNPFEDSA-N 1 0 394.313 2.312 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000646840377 651723179 /nfs/dbraw/zinc/72/31/79/651723179.db2.gz LCSSUFSABGEARO-MLGOLLRUSA-N 1 0 393.285 2.131 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c3c2OCCC3)C1 ZINC000569778312 651723274 /nfs/dbraw/zinc/72/32/74/651723274.db2.gz HPSRWTQUHWGGFR-GFCCVEGCSA-N 1 0 383.286 2.225 20 0 GEADRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000569777748 651723377 /nfs/dbraw/zinc/72/33/77/651723377.db2.gz VFJDUTZZDOGAPQ-TYNCELHUSA-N 1 0 380.286 2.438 20 0 GEADRO CCOc1c(Br)cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000646856467 651724781 /nfs/dbraw/zinc/72/47/81/651724781.db2.gz IIVDWRBNXJRABS-QMTHXVAHSA-N 1 0 387.274 2.045 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000646920423 651728432 /nfs/dbraw/zinc/72/84/32/651728432.db2.gz REPFCWHTXLFEPZ-MIUNTBIASA-N 1 0 377.897 2.431 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000569846755 651728677 /nfs/dbraw/zinc/72/86/77/651728677.db2.gz YULBHYHMUGDTFV-STQMWFEESA-N 1 0 396.329 2.229 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c(Br)c1 ZINC000569874242 651730173 /nfs/dbraw/zinc/73/01/73/651730173.db2.gz XXVXGKGLTHQSRN-QWHCGFSZSA-N 1 0 385.302 2.435 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC000646967028 651731180 /nfs/dbraw/zinc/73/11/80/651731180.db2.gz PTRQIEGHTWBLQY-DAXOMENPSA-N 1 0 382.913 2.232 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000569900806 651731756 /nfs/dbraw/zinc/73/17/56/651731756.db2.gz NSTBKGUEYWSASW-ZBFHGGJFSA-N 1 0 388.327 2.173 20 0 GEADRO CN(C)CC[NH+]1CCC(CNC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000733975952 651732315 /nfs/dbraw/zinc/73/23/15/651732315.db2.gz BBCSGGOMTROWHX-XQRVVYSFSA-N 1 0 384.318 2.445 20 0 GEADRO O=C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000647059483 651732806 /nfs/dbraw/zinc/73/28/06/651732806.db2.gz LTPNWCDWFOFKLO-OKILXGFUSA-N 1 0 382.913 2.104 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000611696652 651732936 /nfs/dbraw/zinc/73/29/36/651732936.db2.gz UGRIKYHVCOMXEH-UHFFFAOYSA-N 1 0 385.302 2.179 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000611696319 651733067 /nfs/dbraw/zinc/73/30/67/651733067.db2.gz ONTVKGIPWQKWIV-UHFFFAOYSA-N 1 0 375.694 2.218 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647077505 651733237 /nfs/dbraw/zinc/73/32/37/651733237.db2.gz LOCOHXPPTCFCNH-GDBMZVCRSA-N 1 0 394.313 2.450 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000569919658 651733572 /nfs/dbraw/zinc/73/35/72/651733572.db2.gz MSWYOSXPEGKWRH-VHRBIJSZSA-N 1 0 382.295 2.481 20 0 GEADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000647187488 651734552 /nfs/dbraw/zinc/73/45/52/651734552.db2.gz OVQSMQRPUQYSGB-LBPRGKRZSA-N 1 0 375.372 2.087 20 0 GEADRO O=S(=O)(c1ccc(F)c(Br)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647190266 651735304 /nfs/dbraw/zinc/73/53/04/651735304.db2.gz QAEJGDPBKHDGDS-UHFFFAOYSA-N 1 0 377.279 2.493 20 0 GEADRO CN1CCN(C(=O)Nc2cc(F)c(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000569944664 651735565 /nfs/dbraw/zinc/73/55/65/651735565.db2.gz XWWPVUQUXAXVKW-MRVPVSSYSA-N 1 0 379.661 2.348 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1sccc1S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000611799091 651736232 /nfs/dbraw/zinc/73/62/32/651736232.db2.gz KCLYWHMMFIQCRX-LBPRGKRZSA-N 1 0 387.914 2.082 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)NCC[C@@H]3CC[NH2+]C3)cc21 ZINC000647214594 651736626 /nfs/dbraw/zinc/73/66/26/651736626.db2.gz GUXYHNWQZUXZTI-NSHDSACASA-N 1 0 386.315 2.219 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nc(C(C)C)c3Br)[C@H]2C1 ZINC000647220129 651737223 /nfs/dbraw/zinc/73/72/23/651737223.db2.gz CGEKJHANEGCTOV-NWDGAFQWSA-N 1 0 385.306 2.231 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000647229769 651737831 /nfs/dbraw/zinc/73/78/31/651737831.db2.gz AMFZCUZXCPSHLD-NWDGAFQWSA-N 1 0 381.523 2.443 20 0 GEADRO CCN(C(=O)C(=O)NCc1cc(C)ccc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000611974329 651740548 /nfs/dbraw/zinc/74/05/48/651740548.db2.gz VVXJVYWQGINDPC-OAHLLOKOSA-N 1 0 396.329 2.316 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000647285720 651741046 /nfs/dbraw/zinc/74/10/46/651741046.db2.gz OOHOOCAOHLYVNQ-NSHDSACASA-N 1 0 377.304 2.187 20 0 GEADRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)[C@H]1C ZINC000647287054 651741644 /nfs/dbraw/zinc/74/16/44/651741644.db2.gz HYVZECGGQFAAAP-MNOVXSKESA-N 1 0 386.315 2.312 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000647294189 651742233 /nfs/dbraw/zinc/74/22/33/651742233.db2.gz RUEFWIQUYLSBIL-RYUDHWBXSA-N 1 0 395.294 2.168 20 0 GEADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647301698 651742666 /nfs/dbraw/zinc/74/26/66/651742666.db2.gz UUEUIZSWZUHGBF-HNNXBMFYSA-N 1 0 386.315 2.299 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000570098564 651746708 /nfs/dbraw/zinc/74/67/08/651746708.db2.gz TVIKYCVBERZMHM-INIZCTEOSA-N 1 0 398.370 2.188 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000570104566 651747345 /nfs/dbraw/zinc/74/73/45/651747345.db2.gz LWTPRJVMFNWBBN-ZDUSSCGKSA-N 1 0 381.464 2.280 20 0 GEADRO CC(C)(C)n1cc(Br)c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000612388868 651754054 /nfs/dbraw/zinc/75/40/54/651754054.db2.gz MEGJKXHHERGUDV-ZDUSSCGKSA-N 1 0 399.333 2.384 20 0 GEADRO CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(Br)c1 ZINC000647679303 651754072 /nfs/dbraw/zinc/75/40/72/651754072.db2.gz XIWPEKGUVKNVDH-MRXNPFEDSA-N 1 0 380.330 2.233 20 0 GEADRO O=C(CCCOc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000647679090 651754133 /nfs/dbraw/zinc/75/41/33/651754133.db2.gz NKWVYRIUJWMRAZ-MRXNPFEDSA-N 1 0 396.329 2.114 20 0 GEADRO Brc1cc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cnc1N1CCOCC1 ZINC000647796510 651760163 /nfs/dbraw/zinc/76/01/63/651760163.db2.gz BZKWXGKXZGLKDR-MELADBBJSA-N 1 0 381.318 2.481 20 0 GEADRO C[NH+](C)C1(C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000612528007 651760391 /nfs/dbraw/zinc/76/03/91/651760391.db2.gz XIRVSSNQXSMTTI-UHFFFAOYSA-N 1 0 384.293 2.327 20 0 GEADRO O=c1cc(CN(C2CC2)C2CC[NH2+]CC2)nc2ccc(Br)cn12 ZINC000647814185 651760681 /nfs/dbraw/zinc/76/06/81/651760681.db2.gz BIVYRFVZNCZMNH-UHFFFAOYSA-N 1 0 377.286 2.173 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]2c2ccc(Br)cc2)C1 ZINC000612544259 651761132 /nfs/dbraw/zinc/76/11/32/651761132.db2.gz XPRDRNZRDRUSKI-HOTGVXAUSA-N 1 0 394.313 2.323 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000647821423 651761145 /nfs/dbraw/zinc/76/11/45/651761145.db2.gz HIFGIRDNFMOKOV-CVEARBPZSA-N 1 0 383.286 2.393 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000647822035 651761168 /nfs/dbraw/zinc/76/11/68/651761168.db2.gz PMOWBUUHWMXZDU-OAGGEKHMSA-N 1 0 395.297 2.247 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000647821426 651761453 /nfs/dbraw/zinc/76/14/53/651761453.db2.gz HIFGIRDNFMOKOV-JKSUJKDBSA-N 1 0 383.286 2.393 20 0 GEADRO Cc1ccc(F)c(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1Br ZINC000647825467 651762087 /nfs/dbraw/zinc/76/20/87/651762087.db2.gz XGDNWZBDLUFURE-UHFFFAOYSA-N 1 0 384.293 2.216 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CCO1 ZINC000647865848 651763695 /nfs/dbraw/zinc/76/36/95/651763695.db2.gz VAYAHPCOLODIJT-WBMJQRKESA-N 1 0 377.286 2.454 20 0 GEADRO Cc1sc2ncnc(SCCC(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)c2c1C ZINC000647875875 651763785 /nfs/dbraw/zinc/76/37/85/651763785.db2.gz LNRRWOXVVUUMHI-WCQYABFASA-N 1 0 380.539 2.365 20 0 GEADRO COc1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Br)c1 ZINC000612659940 651764075 /nfs/dbraw/zinc/76/40/75/651764075.db2.gz SXNIWSQIXCOZEJ-OAHLLOKOSA-N 1 0 399.329 2.353 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647940817 651767243 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C[C@@H](CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)n1cc(Br)cn1 ZINC000648107347 651774556 /nfs/dbraw/zinc/77/45/56/651774556.db2.gz CWXKPNWECULEKH-GWCFXTLKSA-N 1 0 378.274 2.446 20 0 GEADRO C[C@]1(NC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000612891501 651775169 /nfs/dbraw/zinc/77/51/69/651775169.db2.gz JQXLDYGAUUAFEZ-SFHVURJKSA-N 1 0 395.345 2.465 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648206652 651776349 /nfs/dbraw/zinc/77/63/49/651776349.db2.gz JLQKZMYZEQUCSN-HNNXBMFYSA-N 1 0 394.313 2.360 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC(n2cc(Br)cn2)CC1 ZINC000612971095 651777394 /nfs/dbraw/zinc/77/73/94/651777394.db2.gz MRHJHQQPIABGIY-AWEZNQCLSA-N 1 0 382.306 2.134 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000648293780 651777475 /nfs/dbraw/zinc/77/74/75/651777475.db2.gz NKPJIPVZVJDNSA-GFCCVEGCSA-N 1 0 378.274 2.101 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](O)CC(C)(C)C ZINC000735323512 651777552 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[NH3+]C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CCCO1 ZINC000570709453 651785455 /nfs/dbraw/zinc/78/54/55/651785455.db2.gz MFMCBBUDFUCSJU-GFCCVEGCSA-N 1 0 378.885 2.471 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000570721733 651786784 /nfs/dbraw/zinc/78/67/84/651786784.db2.gz ATHBBQYBWGVDKS-SUMWQHHRSA-N 1 0 386.309 2.429 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000570727738 651787173 /nfs/dbraw/zinc/78/71/73/651787173.db2.gz GQEBXHGWANLACP-CYBMUJFWSA-N 1 0 377.913 2.272 20 0 GEADRO C[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000570739362 651787762 /nfs/dbraw/zinc/78/77/62/651787762.db2.gz UNSGQVLZGRFYAG-VIFPVBQESA-N 1 0 396.702 2.208 20 0 GEADRO Cn1nc2cc(Br)ccc2c1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000648403119 651789505 /nfs/dbraw/zinc/78/95/05/651789505.db2.gz SJXOAMWOJYOEHC-UHFFFAOYSA-N 1 0 391.273 2.346 20 0 GEADRO Cc1c(Br)cncc1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000613515721 651789660 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[NH3+]CCC1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000570976504 651803310 /nfs/dbraw/zinc/80/33/10/651803310.db2.gz ZQHOFXPLIQJDSY-UHFFFAOYSA-N 1 0 375.803 2.467 20 0 GEADRO C[C@H](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)n1cc(Br)cn1 ZINC000648789695 651803735 /nfs/dbraw/zinc/80/37/35/651803735.db2.gz IJMJBUSWSPXFOC-ZIAGYGMSSA-N 1 0 399.333 2.214 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2=O)ccc1Br ZINC000648862372 651806968 /nfs/dbraw/zinc/80/69/68/651806968.db2.gz JTGJMAPSRAUOEG-XNRPHZJLSA-N 1 0 394.313 2.319 20 0 GEADRO Cc1sc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1CS(C)(=O)=O ZINC000571039187 651807470 /nfs/dbraw/zinc/80/74/70/651807470.db2.gz NNTWTEBLYAODAO-ZDUSSCGKSA-N 1 0 379.507 2.064 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000571087673 651810005 /nfs/dbraw/zinc/81/00/05/651810005.db2.gz APKPVVQPIKRSPJ-BDAKNGLRSA-N 1 0 396.702 2.384 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2c(F)ccc(Br)c2F)C1 ZINC000614065835 651811474 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CC1(OCC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C[NH2+]C1 ZINC000649330321 651823305 /nfs/dbraw/zinc/82/33/05/651823305.db2.gz QIRGJVTWTPYWQD-UHFFFAOYSA-N 1 0 386.323 2.453 20 0 GEADRO Cc1nc([C@H]2CCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)n[nH]1 ZINC000571292223 651823687 /nfs/dbraw/zinc/82/36/87/651823687.db2.gz SBHOBLPQSBMHNL-SWLSCSKDSA-N 1 0 390.285 2.470 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000571327221 651826193 /nfs/dbraw/zinc/82/61/93/651826193.db2.gz WTJQGQNUPAYAKW-OAHLLOKOSA-N 1 0 380.286 2.060 20 0 GEADRO COc1ncc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Br ZINC000614432539 651827284 /nfs/dbraw/zinc/82/72/84/651827284.db2.gz MAXFZDZHHYRDAC-AWEZNQCLSA-N 1 0 398.301 2.180 20 0 GEADRO O=C(Nc1ccccc1Br)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649558682 651830631 /nfs/dbraw/zinc/83/06/31/651830631.db2.gz XSXCHGCCQRHGRU-ZDUSSCGKSA-N 1 0 380.286 2.378 20 0 GEADRO Cc1n[nH]c(C)c1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000571424496 651832001 /nfs/dbraw/zinc/83/20/01/651832001.db2.gz GAMAPYNXAIUGSU-UHFFFAOYSA-N 1 0 384.221 2.359 20 0 GEADRO Cc1cc(NC(=O)CCOC2C[NH2+]C2)n(-c2cccc(Br)c2)n1 ZINC000571432033 651832284 /nfs/dbraw/zinc/83/22/84/651832284.db2.gz AOAQGJPJLFINFC-UHFFFAOYSA-N 1 0 379.258 2.260 20 0 GEADRO C[C@@H](C(=O)NCc1ccc(I)c(Cl)c1)C1C[NH2+]C1 ZINC000571520372 651837510 /nfs/dbraw/zinc/83/75/10/651837510.db2.gz TVRQFSPUCLXXBY-MRVPVSSYSA-N 1 0 378.641 2.416 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000571537393 651839157 /nfs/dbraw/zinc/83/91/57/651839157.db2.gz GZFHVMVQNJKGAH-SNVBAGLBSA-N 1 0 395.294 2.346 20 0 GEADRO C[NH+](C)C[C@@H](CO)NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000614854796 651841317 /nfs/dbraw/zinc/84/13/17/651841317.db2.gz SKRUHQKGVLJDGM-LBPRGKRZSA-N 1 0 396.285 2.075 20 0 GEADRO CSCC[C@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000737233673 651843986 /nfs/dbraw/zinc/84/39/86/651843986.db2.gz OHCJJOSCFDSXRN-LBPRGKRZSA-N 1 0 387.933 2.477 20 0 GEADRO C[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000571670908 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C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1n[nH]cc1Br ZINC000739021223 651899575 /nfs/dbraw/zinc/89/95/75/651899575.db2.gz SGYMFZPDJATVKM-UHFFFAOYSA-N 1 0 394.317 2.488 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000739445978 651903195 /nfs/dbraw/zinc/90/31/95/651903195.db2.gz SGQPDZZRNFHUNX-HOTGVXAUSA-N 1 0 380.945 2.394 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000651943672 651906687 /nfs/dbraw/zinc/90/66/87/651906687.db2.gz AFUXOLMRLHAVFX-CYBMUJFWSA-N 1 0 394.107 2.425 20 0 GEADRO COC[C@]1(CNC(=O)CCCOc2ccccc2Br)CCC[NH2+]1 ZINC000572713958 651907406 /nfs/dbraw/zinc/90/74/06/651907406.db2.gz OYQPJWRTBUIFQY-QGZVFWFLSA-N 1 0 385.302 2.493 20 0 GEADRO O=C1c2ccc(Br)cc2N(CN2CC[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC000739877622 651909192 /nfs/dbraw/zinc/90/91/92/651909192.db2.gz YCYYAXLDHFXHLS-ZDUSSCGKSA-N 1 0 392.297 2.354 20 0 GEADRO O=C(N[C@H]1CCc2c1cccc2Br)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000572833322 651916108 /nfs/dbraw/zinc/91/61/08/651916108.db2.gz NZUKBKVGJWXDFH-ABAIWWIYSA-N 1 0 390.285 2.382 20 0 GEADRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccc(I)c(C)c1 ZINC000572871102 651918232 /nfs/dbraw/zinc/91/82/32/651918232.db2.gz YEUCDONZNHRWPC-TZMCWYRMSA-N 1 0 393.265 2.102 20 0 GEADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC1 ZINC000652634222 651920752 /nfs/dbraw/zinc/92/07/52/651920752.db2.gz VPGKRFJUZFQGHA-UHFFFAOYSA-N 1 0 391.269 2.181 20 0 GEADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000652634458 651920860 /nfs/dbraw/zinc/92/08/60/651920860.db2.gz CYDJDZOJZLFMHT-UHFFFAOYSA-N 1 0 375.416 2.367 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCSC[C@@H](C)C1)c1ccsc1 ZINC000572905013 651920923 /nfs/dbraw/zinc/92/09/23/651920923.db2.gz ZKZSZQCWIURFJQ-HOCLYGCPSA-N 1 0 383.583 2.459 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000617005106 651921031 /nfs/dbraw/zinc/92/10/31/651921031.db2.gz CQWCNAZSHSKTJH-LBPRGKRZSA-N 1 0 393.289 2.027 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc(Br)cn2)nn1 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20 0 GEADRO CCO[C@@H]1CN(C(=O)c2cc3sc(N4CCCC4)nc3s2)C[C@H]1C[NH3+] ZINC000653248289 651937345 /nfs/dbraw/zinc/93/73/45/651937345.db2.gz LPFCKOWXWLELDX-VXGBXAGGSA-N 1 0 380.539 2.394 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000617346039 651939270 /nfs/dbraw/zinc/93/92/70/651939270.db2.gz NAJNUIOKLUXTLI-SNVBAGLBSA-N 1 0 396.285 2.383 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000617356596 651939970 /nfs/dbraw/zinc/93/99/70/651939970.db2.gz LWFOVCKBNZWDDR-AWEZNQCLSA-N 1 0 382.302 2.168 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000653351203 651941925 /nfs/dbraw/zinc/94/19/25/651941925.db2.gz UAXWWIKESNXYPU-HNNXBMFYSA-N 1 0 399.333 2.253 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000573223651 651942706 /nfs/dbraw/zinc/94/27/06/651942706.db2.gz TZNVBAZSDNYMMI-SKDRFNHKSA-N 1 0 379.814 2.463 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2=O)ccc1Br ZINC000617415096 651945357 /nfs/dbraw/zinc/94/53/57/651945357.db2.gz XSGMGXPSDMYIHB-UONOGXRCSA-N 1 0 394.313 2.321 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1Cl ZINC000573318178 651947044 /nfs/dbraw/zinc/94/70/44/651947044.db2.gz KBCJOXRVBKQTHG-AWEZNQCLSA-N 1 0 387.860 2.412 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000653585121 651949496 /nfs/dbraw/zinc/94/94/96/651949496.db2.gz YMHKUJVTSZJLJB-CABCVRRESA-N 1 0 383.290 2.215 20 0 GEADRO CO[C@@H](C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)c1ccccc1Br ZINC000653751459 651952130 /nfs/dbraw/zinc/95/21/30/651952130.db2.gz YWDKUNJPGZNSDN-RHSMWYFYSA-N 1 0 398.345 2.279 20 0 GEADRO [NH3+]CCC1CCN(C(=O)C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CC1 ZINC000573452687 651957774 /nfs/dbraw/zinc/95/77/74/651957774.db2.gz FQVFHLQQESIFKV-UHFFFAOYSA-N 1 0 384.307 2.466 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000573477093 651959308 /nfs/dbraw/zinc/95/93/08/651959308.db2.gz DLYBCLNTNUWXKT-UHFFFAOYSA-N 1 0 381.464 2.209 20 0 GEADRO CCCOc1ccc(Br)cc1C[NH2+]CCCN1CCNC(=O)C1 ZINC000573505657 651961331 /nfs/dbraw/zinc/96/13/31/651961331.db2.gz KWNIYWWLHCRYJJ-UHFFFAOYSA-N 1 0 384.318 2.149 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(Br)cc1OCCCO ZINC000573535646 651962198 /nfs/dbraw/zinc/96/21/98/651962198.db2.gz KUKZQJTWCDGVRE-IUODEOHRSA-N 1 0 385.302 2.482 20 0 GEADRO O=C(N[C@H]1CSc2ccc(Br)cc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654547689 651963580 /nfs/dbraw/zinc/96/35/80/651963580.db2.gz ACTJKVWSAGULTM-SCRDCRAPSA-N 1 0 398.326 2.056 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)Nc1cc(Br)cnc1-n1cccn1 ZINC000573546303 651963538 /nfs/dbraw/zinc/96/35/38/651963538.db2.gz WVRKITYVQYZTKW-UHFFFAOYSA-N 1 0 391.273 2.461 20 0 GEADRO C[C@@H]1CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)[C@H](n2cncn2)C1 ZINC000573557464 651964608 /nfs/dbraw/zinc/96/46/08/651964608.db2.gz AVMIMTZIQSQNJR-BPLDGKMQSA-N 1 0 380.290 2.222 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000654663238 651967406 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CC[NH+]1CCC(CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000575949071 652087004 /nfs/dbraw/zinc/08/70/04/652087004.db2.gz QZEXCPWGUQKRKX-UHFFFAOYSA-N 1 0 396.285 2.242 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000575950541 652087074 /nfs/dbraw/zinc/08/70/74/652087074.db2.gz IQZNZMZPCLJTPC-ZDUSSCGKSA-N 1 0 386.518 2.186 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000575982809 652088798 /nfs/dbraw/zinc/08/87/98/652088798.db2.gz RCQSRLLNXJULBS-UKPHBRMFSA-N 1 0 394.295 2.143 20 0 GEADRO O[C@@H](C[NH2+]CC1(N2CCOCC2)CC1)COc1c(Cl)cccc1Cl ZINC000575982038 652088872 /nfs/dbraw/zinc/08/88/72/652088872.db2.gz DFPRDXDXFHHGLT-ZDUSSCGKSA-N 1 0 375.296 2.188 20 0 GEADRO C[C@H](CC(F)(F)F)CS(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000657042700 652092621 /nfs/dbraw/zinc/09/26/21/652092621.db2.gz YNPKGBQZCHHKDE-CYBMUJFWSA-N 1 0 386.480 2.385 20 0 GEADRO CC[NH+]1CCN(CCC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000746107530 652095684 /nfs/dbraw/zinc/09/56/84/652095684.db2.gz UTYZBQVHOOVPAY-UHFFFAOYSA-N 1 0 398.301 2.186 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000657060553 652097495 /nfs/dbraw/zinc/09/74/95/652097495.db2.gz IEKZEIJOMYVSDG-GFCCVEGCSA-N 1 0 385.917 2.376 20 0 GEADRO Cn1c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)nc2ccc(Br)cc21 ZINC000576247374 652099680 /nfs/dbraw/zinc/09/96/80/652099680.db2.gz UDHSANQJCJCIIY-CXAGYDPISA-N 1 0 377.286 2.483 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000576260268 652100982 /nfs/dbraw/zinc/10/09/82/652100982.db2.gz WNMHNIDISDNCDC-UHFFFAOYSA-N 1 0 399.891 2.103 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1c(F)cccc1Cl ZINC000657071307 652102894 /nfs/dbraw/zinc/10/28/94/652102894.db2.gz JHEUJXQMTCKQOK-ZDUSSCGKSA-N 1 0 379.929 2.171 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1nc2ccsc2s1 ZINC000576328508 652106597 /nfs/dbraw/zinc/10/65/97/652106597.db2.gz RDNZMHHWADBQFJ-SECBINFHSA-N 1 0 379.433 2.315 20 0 GEADRO 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CS[C@H]1CN(S(=O)(=O)Cc2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000576538625 652125471 /nfs/dbraw/zinc/12/54/71/652125471.db2.gz LLSRBOVUXSFJAE-KBPBESRZSA-N 1 0 393.372 2.256 20 0 GEADRO Cc1n[nH]c(C(=O)NCc2ccccc2OCC[NH+](C)C)c1Br ZINC000746856777 652126463 /nfs/dbraw/zinc/12/64/63/652126463.db2.gz YWICKAIVAJQWES-UHFFFAOYSA-N 1 0 381.274 2.351 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2nc(C)c(C(F)(F)F)s2)CC1 ZINC000576561202 652127449 /nfs/dbraw/zinc/12/74/49/652127449.db2.gz DJRUCKMVFBDNOL-UHFFFAOYSA-N 1 0 378.420 2.399 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)[C@H]1Sc1ccccc1 ZINC000576562789 652127526 /nfs/dbraw/zinc/12/75/26/652127526.db2.gz LACXQCSCPVALEB-DZJNRPSUSA-N 1 0 384.567 2.338 20 0 GEADRO COCCC[N@H+](C)CCNCc1cn(-c2ccccc2Br)nn1 ZINC000576625431 652132473 /nfs/dbraw/zinc/13/24/73/652132473.db2.gz INQHPZFHZCXENM-UHFFFAOYSA-N 1 0 382.306 2.088 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)c2cnc3ccc(Br)cc3c2O)CC[NH2+]1 ZINC000621154476 652133058 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CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000576849962 652148354 /nfs/dbraw/zinc/14/83/54/652148354.db2.gz DAKUBWVHFOREJK-OAHLLOKOSA-N 1 0 394.313 2.456 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1=Cc2cc(Br)ccc2OC1 ZINC000747231666 652150671 /nfs/dbraw/zinc/15/06/71/652150671.db2.gz KXKRMDGOMFKVFD-HOTGVXAUSA-N 1 0 393.281 2.204 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000747278739 652154827 /nfs/dbraw/zinc/15/48/27/652154827.db2.gz RAZOLEYQPVPIDA-UHFFFAOYSA-N 1 0 382.313 2.120 20 0 GEADRO CO[C@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@H](C[NH3+])C1 ZINC000576936640 652155432 /nfs/dbraw/zinc/15/54/32/652155432.db2.gz CSCZLLGUBGIWQH-GJZGRUSLSA-N 1 0 393.285 2.213 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC([NH3+])CC1 ZINC000621465389 652156914 /nfs/dbraw/zinc/15/69/14/652156914.db2.gz NWYMEOODIXFEAE-OAHLLOKOSA-N 1 0 382.302 2.153 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000657327429 652161159 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C[NH+](C)CCOc1ccc(CNC(=O)c2cc(Br)c[nH]c2=O)cc1 ZINC000621629059 652165757 /nfs/dbraw/zinc/16/57/57/652165757.db2.gz RIHXNKQCUDGOEJ-UHFFFAOYSA-N 1 0 394.269 2.420 20 0 GEADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657524418 652170027 /nfs/dbraw/zinc/17/00/27/652170027.db2.gz YJLNOPCQANIMHS-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO O=C(NCC[NH2+]Cc1cccc2c1OCCO2)c1ccc(Br)cn1 ZINC000657562879 652173121 /nfs/dbraw/zinc/17/31/21/652173121.db2.gz KBPJIKKBILLQMQ-UHFFFAOYSA-N 1 0 392.253 2.135 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=S)NCc2ccc(Br)cc2)CC1 ZINC000747653616 652173723 /nfs/dbraw/zinc/17/37/23/652173723.db2.gz UJZPDINPFFEDDV-HNNXBMFYSA-N 1 0 386.359 2.212 20 0 GEADRO C[NH+](C)C1CC(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000622008183 652174278 /nfs/dbraw/zinc/17/42/78/652174278.db2.gz BUHPOIBAAVLCOJ-UYSNPLJNSA-N 1 0 394.313 2.149 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000577269554 652175089 /nfs/dbraw/zinc/17/50/89/652175089.db2.gz 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Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cn1 ZINC000657687318 652190957 /nfs/dbraw/zinc/19/09/57/652190957.db2.gz HEKSVVDXQFKZAO-HOCLYGCPSA-N 1 0 382.917 2.222 20 0 GEADRO Brc1ccc2ncc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)n2c1 ZINC000657750978 652201167 /nfs/dbraw/zinc/20/11/67/652201167.db2.gz MGPGNYXANMLOIO-OAHLLOKOSA-N 1 0 379.302 2.440 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)CC[NH+](C)C)c(Cl)cc1Br ZINC000657769462 652203569 /nfs/dbraw/zinc/20/35/69/652203569.db2.gz APGWQBYQXPTRKV-UHFFFAOYSA-N 1 0 392.681 2.070 20 0 GEADRO O=C(N[C@H]1CCc2c1cccc2Br)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000577628700 652203573 /nfs/dbraw/zinc/20/35/73/652203573.db2.gz UNHRPUUEIHRWNF-NHYWBVRUSA-N 1 0 390.285 2.210 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000657793559 652206387 /nfs/dbraw/zinc/20/63/87/652206387.db2.gz YWDLBKDSMQIZAD-UHFFFAOYSA-N 1 0 392.363 2.307 20 0 GEADRO Cn1cc(C[NH2+][C@H]2CCCCc3cc(Br)ccc32)c(=O)n(C)c1=O ZINC000657784572 652206492 /nfs/dbraw/zinc/20/64/92/652206492.db2.gz YFMRENUFMYNEAE-INIZCTEOSA-N 1 0 392.297 2.404 20 0 GEADRO CN(C)c1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc[nH+]1 ZINC000748611858 652207761 /nfs/dbraw/zinc/20/77/61/652207761.db2.gz DUYWUTNBPNBQDF-UHFFFAOYSA-N 1 0 389.886 2.005 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657833228 652209208 /nfs/dbraw/zinc/20/92/08/652209208.db2.gz QAOUDLDZZGWRRK-UHFFFAOYSA-N 1 0 390.228 2.220 20 0 GEADRO CCOC1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000657835314 652209936 /nfs/dbraw/zinc/20/99/36/652209936.db2.gz PHZGXIRRWSCLNT-UHFFFAOYSA-N 1 0 388.555 2.206 20 0 GEADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000657858319 652211064 /nfs/dbraw/zinc/21/10/64/652211064.db2.gz ZHJGPEUGDWSPAQ-QGZVFWFLSA-N 1 0 382.346 2.380 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000657886362 652214104 /nfs/dbraw/zinc/21/41/04/652214104.db2.gz DYYLQKSTBPYPOX-OAHLLOKOSA-N 1 0 390.343 2.300 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C(F)F)nc1 ZINC000657916096 652216679 /nfs/dbraw/zinc/21/66/79/652216679.db2.gz SQFCFAITFWAMTL-OCCSQVGLSA-N 1 0 377.457 2.158 20 0 GEADRO COCCCN(C(=O)c1cc(Br)c[nH]c1=O)C1CC[NH+](C)CC1 ZINC000623028480 652217803 /nfs/dbraw/zinc/21/78/03/652217803.db2.gz LSQVMHPOYHDHPL-UHFFFAOYSA-N 1 0 386.290 2.123 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[N@H+](C)CC1 ZINC000623074920 652222429 /nfs/dbraw/zinc/22/24/29/652222429.db2.gz YNXKQEMTTMVYKX-INIZCTEOSA-N 1 0 396.329 2.368 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000657981706 652225450 /nfs/dbraw/zinc/22/54/50/652225450.db2.gz RJHIYXAENUTTQB-HNNXBMFYSA-N 1 0 375.332 2.251 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)sc1C(F)(F)F ZINC000577926856 652229181 /nfs/dbraw/zinc/22/91/81/652229181.db2.gz LEVFTHQWMMCYMZ-VIFPVBQESA-N 1 0 376.404 2.009 20 0 GEADRO CC(C)[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 ZINC000658026171 652231901 /nfs/dbraw/zinc/23/19/01/652231901.db2.gz BGOYLNBZPKONOL-CABCVRRESA-N 1 0 394.306 2.425 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cccc(Br)c1F)[C@H]1CC[N@H+](C)C1 ZINC000658041441 652233573 /nfs/dbraw/zinc/23/35/73/652233573.db2.gz ZRFNFWQXWFZWEW-NSHDSACASA-N 1 0 386.265 2.469 20 0 GEADRO C[NH+](C)CCCNC(=S)N(CCO)Cc1cc(Br)ccc1F ZINC000749102811 652235112 /nfs/dbraw/zinc/23/51/12/652235112.db2.gz SCURGMWZMOKOQF-UHFFFAOYSA-N 1 0 392.338 2.209 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000578012097 652235498 /nfs/dbraw/zinc/23/54/98/652235498.db2.gz SPFSXSYULMXPFO-NSHDSACASA-N 1 0 397.324 2.378 20 0 GEADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@H]2CCCO[C@@H]21 ZINC000658092267 652235924 /nfs/dbraw/zinc/23/59/24/652235924.db2.gz LEHFCPRDCNSGOC-YUELXQCFSA-N 1 0 382.302 2.367 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCc2nnnn2CC1 ZINC000578062076 652239959 /nfs/dbraw/zinc/23/99/59/652239959.db2.gz UQLNKLDOWAIHRG-FZMZJTMJSA-N 1 0 393.289 2.147 20 0 GEADRO Cc1cc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ncc1Br ZINC000623475553 652240209 /nfs/dbraw/zinc/24/02/09/652240209.db2.gz RBNSUICGVIDOLF-INIZCTEOSA-N 1 0 385.350 2.335 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)c1ccncc1 ZINC000749296298 652244836 /nfs/dbraw/zinc/24/48/36/652244836.db2.gz OFJZBRDYRSDYAC-SWLSCSKDSA-N 1 0 382.917 2.493 20 0 GEADRO Cc1cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)ncc1Br ZINC000623522134 652244810 /nfs/dbraw/zinc/24/48/10/652244810.db2.gz YDWYVLSXJSATFJ-IUODEOHRSA-N 1 0 390.347 2.350 20 0 GEADRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658249932 652247436 /nfs/dbraw/zinc/24/74/36/652247436.db2.gz GQVMVRPHNJNJPQ-ZYHUDNBSSA-N 1 0 391.331 2.156 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749350663 652248001 /nfs/dbraw/zinc/24/80/01/652248001.db2.gz WHRPPYSPYCVPNN-GFCCVEGCSA-N 1 0 393.289 2.029 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000658260764 652248220 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CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1COCCN1C ZINC000623710982 652255422 /nfs/dbraw/zinc/25/54/22/652255422.db2.gz RBGQAMNURNIXFL-MRXNPFEDSA-N 1 0 387.318 2.285 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000658359824 652255441 /nfs/dbraw/zinc/25/54/41/652255441.db2.gz FYNCJPXZNVCHET-UHFFFAOYSA-N 1 0 377.304 2.350 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000623717285 652256217 /nfs/dbraw/zinc/25/62/17/652256217.db2.gz SOWUQMKBOSIFIO-LBPRGKRZSA-N 1 0 385.306 2.382 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1COCCN1C ZINC000623713843 652256253 /nfs/dbraw/zinc/25/62/53/652256253.db2.gz KOZHEHBRCYNEJD-HNNXBMFYSA-N 1 0 379.302 2.363 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(=O)n1C ZINC000578254748 652256596 /nfs/dbraw/zinc/25/65/96/652256596.db2.gz MQFRIMOWPNVRNS-XHBSWPGZSA-N 1 0 396.329 2.259 20 0 GEADRO CCN(C(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000658364152 652257439 /nfs/dbraw/zinc/25/74/39/652257439.db2.gz 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20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)CCc3ccccc3Cl)C2)C1 ZINC000658383647 652262600 /nfs/dbraw/zinc/26/26/00/652262600.db2.gz KIIFPSQXYOLGJF-LZLYRXPVSA-N 1 0 386.945 2.431 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1Cl ZINC000658383165 652262995 /nfs/dbraw/zinc/26/29/95/652262995.db2.gz BEWDZTGRXYPCMW-ZENOOKHLSA-N 1 0 388.917 2.256 20 0 GEADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1Br ZINC000658390363 652263254 /nfs/dbraw/zinc/26/32/54/652263254.db2.gz YMILFAOCNPOZFF-UHFFFAOYSA-N 1 0 392.319 2.074 20 0 GEADRO O=S(=O)(c1ccc(Br)cn1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387441 652263845 /nfs/dbraw/zinc/26/38/45/652263845.db2.gz RLLRMTSLBAGASN-CYBMUJFWSA-N 1 0 388.331 2.244 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cn2)[C@@H]1CCC[NH3+] ZINC000658398792 652265221 /nfs/dbraw/zinc/26/52/21/652265221.db2.gz XLZLHLIQEZSIPI-DGCLKSJQSA-N 1 0 376.320 2.372 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000658403028 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C[NH+](C)CC(C)(C)CNC(=S)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000749900988 652271629 /nfs/dbraw/zinc/27/16/29/652271629.db2.gz YXRSCEQYGUNLRM-OAHLLOKOSA-N 1 0 382.961 2.497 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cn1 ZINC000624137506 652273053 /nfs/dbraw/zinc/27/30/53/652273053.db2.gz MQAQKCUWODLUAU-LERXQTSPSA-N 1 0 376.320 2.355 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)c(F)cc1Br ZINC000749919072 652272944 /nfs/dbraw/zinc/27/29/44/652272944.db2.gz IVCGWJOKYDRTOW-ZJUUUORDSA-N 1 0 375.213 2.320 20 0 GEADRO [NH3+][C@@H]1C[C@@H]2CN(c3nnc(-c4cc(Cl)cc(Cl)c4)s3)CCN2C1=O ZINC000578453853 652274389 /nfs/dbraw/zinc/27/43/89/652274389.db2.gz HVUMMUFVRKWONQ-VXGBXAGGSA-N 1 0 384.292 2.260 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cncc(Br)c1 ZINC000578453802 652274445 /nfs/dbraw/zinc/27/44/45/652274445.db2.gz GKTHFLVGXCXOSJ-IUODEOHRSA-N 1 0 392.301 2.419 20 0 GEADRO [NH3+][C@H]1C[C@H]2CN(c3nnc(-c4cc(Cl)cc(Cl)c4)s3)CCN2C1=O ZINC000578453852 652274649 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O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1cccc(Sc2ccccc2)c1 ZINC000624369815 652283906 /nfs/dbraw/zinc/28/39/06/652283906.db2.gz RGFSPBNVRIJDMH-HNNXBMFYSA-N 1 0 378.519 2.495 20 0 GEADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000624370851 652284534 /nfs/dbraw/zinc/28/45/34/652284534.db2.gz YVZNNSJFDRBZSI-STQMWFEESA-N 1 0 375.441 2.021 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000658539547 652285951 /nfs/dbraw/zinc/28/59/51/652285951.db2.gz BOQIDHKZJFHHJO-UHFFFAOYSA-N 1 0 375.416 2.141 20 0 GEADRO CCN(CC[NH3+])S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000624381947 652286025 /nfs/dbraw/zinc/28/60/25/652286025.db2.gz IKVNJDVQJXCVLB-UHFFFAOYSA-N 1 0 375.210 2.437 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3ncsc3c2)CC[C@@H]1C(F)(F)F ZINC000624391421 652287689 /nfs/dbraw/zinc/28/76/89/652287689.db2.gz XDASMAFTPODICL-ONGXEEELSA-N 1 0 379.429 2.444 20 0 GEADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2O1 ZINC000624391192 652287723 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386.823 2.496 20 0 GEADRO Cn1c2ccccc2cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624392142 652289108 /nfs/dbraw/zinc/28/91/08/652289108.db2.gz JVKPPFJNQFEQTB-STQMWFEESA-N 1 0 375.416 2.326 20 0 GEADRO COc1c(C)cc(C)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624392087 652289168 /nfs/dbraw/zinc/28/91/68/652289168.db2.gz JBAQZOPMVVQLLR-CHWSQXEVSA-N 1 0 380.432 2.460 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@@H]1C[NH2+]CCC1(F)F ZINC000578729995 652289281 /nfs/dbraw/zinc/28/92/81/652289281.db2.gz GJUXEJHZVSBIQK-ZYHUDNBSSA-N 1 0 394.191 2.318 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc2ncc(I)n2c1 ZINC000750298842 652289408 /nfs/dbraw/zinc/28/94/08/652289408.db2.gz HVWCRSWSLIZFFS-LLVKDONJSA-N 1 0 398.248 2.153 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000624405462 652290936 /nfs/dbraw/zinc/29/09/36/652290936.db2.gz KTWNSBKMNCDEIR-GHMZBOCLSA-N 1 0 377.304 2.185 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 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RBKLIGPYRMAAQA-WFASDCNBSA-N 1 0 396.329 2.315 20 0 GEADRO O=C(c1cc(Br)ccc1O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000624744969 652301295 /nfs/dbraw/zinc/30/12/95/652301295.db2.gz XPFMWFOPLGKFAI-CQSZACIVSA-N 1 0 383.286 2.482 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)C1 ZINC000750624324 652302306 /nfs/dbraw/zinc/30/23/06/652302306.db2.gz RNQCCFBNGMCACU-YDBLSZJJSA-N 1 0 379.404 2.156 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624788683 652302905 /nfs/dbraw/zinc/30/29/05/652302905.db2.gz YPGCNXUXJOJKOL-HNNXBMFYSA-N 1 0 384.322 2.304 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)cc1Cl ZINC000578910342 652303529 /nfs/dbraw/zinc/30/35/29/652303529.db2.gz NNYRPIIYEPAXOX-KGLIPLIRSA-N 1 0 385.917 2.011 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000578925943 652304056 /nfs/dbraw/zinc/30/40/56/652304056.db2.gz RSSICZRLNCFEFL-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO CCc1nc(CN(C)C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cs1 ZINC000578968334 652307246 /nfs/dbraw/zinc/30/72/46/652307246.db2.gz HPGLRSXGSLQUHY-CYBMUJFWSA-N 1 0 380.539 2.145 20 0 GEADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000578988650 652309277 /nfs/dbraw/zinc/30/92/77/652309277.db2.gz QRPYDPRTQRYKTJ-JTQLQIEISA-N 1 0 393.303 2.032 20 0 GEADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)CC1(OCC)CCOCC1 ZINC000624937751 652311350 /nfs/dbraw/zinc/31/13/50/652311350.db2.gz PULMNGIAEWTZOT-QGZVFWFLSA-N 1 0 376.563 2.146 20 0 GEADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000579081045 652315675 /nfs/dbraw/zinc/31/56/75/652315675.db2.gz WZFIKFOPJBUPOL-NSHDSACASA-N 1 0 379.295 2.349 20 0 GEADRO CC1(C)C[C@H](S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CO1 ZINC000624964444 652315854 /nfs/dbraw/zinc/31/58/54/652315854.db2.gz PQILLTKOVRXQCP-HNNXBMFYSA-N 1 0 376.588 2.225 20 0 GEADRO OC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@@H]1CCCOC1 ZINC000579085044 652315956 /nfs/dbraw/zinc/31/59/56/652315956.db2.gz ZRWRMMFUXQERAW-DOMZBBRYSA-N 1 0 386.286 2.488 20 0 GEADRO CC1(C)C[C@@H](S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CO1 ZINC000624964445 652316060 /nfs/dbraw/zinc/31/60/60/652316060.db2.gz PQILLTKOVRXQCP-OAHLLOKOSA-N 1 0 376.588 2.225 20 0 GEADRO CCOC1(CS(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)CCOCC1 ZINC000625050005 652320760 /nfs/dbraw/zinc/32/07/60/652320760.db2.gz FCORFDANIOEJSC-UHFFFAOYSA-N 1 0 390.571 2.027 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]2c2ccc(Br)cc2)C1 ZINC000658892861 652325177 /nfs/dbraw/zinc/32/51/77/652325177.db2.gz HWUVGPKBNCVKCO-HOTGVXAUSA-N 1 0 394.313 2.275 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000579244674 652328537 /nfs/dbraw/zinc/32/85/37/652328537.db2.gz OTIYEUALNOQSKQ-NXEZZACHSA-N 1 0 380.539 2.361 20 0 GEADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000625181122 652328963 /nfs/dbraw/zinc/32/89/63/652328963.db2.gz DKDOBEDWDPZLMF-CYBMUJFWSA-N 1 0 397.317 2.377 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000579329427 652331272 /nfs/dbraw/zinc/33/12/72/652331272.db2.gz JZCOGFCIASLMIX-CMPLNLGQSA-N 1 0 379.262 2.279 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000579294582 652331275 /nfs/dbraw/zinc/33/12/75/652331275.db2.gz SQLXHQHQWOMMSI-UHFFFAOYSA-N 1 0 375.485 2.149 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)C2 ZINC000658913305 652331753 /nfs/dbraw/zinc/33/17/53/652331753.db2.gz WPZWWAMDNWNCSP-CQSZACIVSA-N 1 0 394.313 2.152 20 0 GEADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@@H]1C[NH3+] ZINC000579342198 652332521 /nfs/dbraw/zinc/33/25/21/652332521.db2.gz WNGGBOBNCGPXTJ-WZRBSPASSA-N 1 0 385.917 2.219 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(Cl)cc21 ZINC000625217932 652332858 /nfs/dbraw/zinc/33/28/58/652332858.db2.gz IXAKGQZLMQXBBJ-LBPRGKRZSA-N 1 0 387.933 2.256 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000658948409 652333921 /nfs/dbraw/zinc/33/39/21/652333921.db2.gz UELJBIZYFRYZME-RHSMWYFYSA-N 1 0 384.929 2.494 20 0 GEADRO CCC(=O)c1ccc(NCC2(SC)CC[NH+](C)CC2)c(S(N)(=O)=O)c1 ZINC000579364185 652334219 /nfs/dbraw/zinc/33/42/19/652334219.db2.gz WZUOERYHIPSPAF-UHFFFAOYSA-N 1 0 385.555 2.166 20 0 GEADRO C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C[C@@H]1[NH3+] ZINC000658971999 652334949 /nfs/dbraw/zinc/33/49/49/652334949.db2.gz CTCTZYYDLFCOLV-YPMHNXCESA-N 1 0 399.563 2.097 20 0 GEADRO [NH3+]C1(CNC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CCCC1 ZINC000659016527 652337344 /nfs/dbraw/zinc/33/73/44/652337344.db2.gz FCZBZWLGXBPHQJ-UHFFFAOYSA-N 1 0 398.305 2.074 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)s1 ZINC000579463549 652339713 /nfs/dbraw/zinc/33/97/13/652339713.db2.gz ZCAIOFZHKNIMNZ-LLVKDONJSA-N 1 0 394.440 2.108 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625282837 652340157 /nfs/dbraw/zinc/34/01/57/652340157.db2.gz MJZPPQSNSCGDEE-USXIJHARSA-N 1 0 381.314 2.371 20 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/nfs/dbraw/zinc/34/37/13/652343713.db2.gz GJFMGGPQESXQNA-ZFWWWQNUSA-N 1 0 376.258 2.241 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000659101670 652344016 /nfs/dbraw/zinc/34/40/16/652344016.db2.gz TXHXFZSBJJOCAU-UHFFFAOYSA-N 1 0 390.640 2.130 20 0 GEADRO CCNc1ccc(Cl)cc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000579590056 652345677 /nfs/dbraw/zinc/34/56/77/652345677.db2.gz DVKXDSYCZFVUTM-CQSZACIVSA-N 1 0 378.826 2.338 20 0 GEADRO CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000579594297 652345909 /nfs/dbraw/zinc/34/59/09/652345909.db2.gz INSBHRRBOWFJSQ-PEYYIBSZSA-N 1 0 382.302 2.342 20 0 GEADRO Cc1n[nH]c(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1Br ZINC000751425793 652347681 /nfs/dbraw/zinc/34/76/81/652347681.db2.gz RWXFLJSRRYCNBJ-UHFFFAOYSA-N 1 0 399.333 2.493 20 0 GEADRO CC(C)(C)N1C[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1=O ZINC000579703610 652351041 /nfs/dbraw/zinc/35/10/41/652351041.db2.gz PBGQACKRXYJRNF-KGLIPLIRSA-N 1 0 385.302 2.178 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000625524852 652351874 /nfs/dbraw/zinc/35/18/74/652351874.db2.gz MBVJGTJUAYWYRC-JQWIXIFHSA-N 1 0 377.432 2.182 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000625546868 652354497 /nfs/dbraw/zinc/35/44/97/652354497.db2.gz JJILXCVMELFYLB-ZDUSSCGKSA-N 1 0 384.318 2.214 20 0 GEADRO CS(=O)(=O)c1csc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000659354705 652354861 /nfs/dbraw/zinc/35/48/61/652354861.db2.gz FHGNMEPXNYVWDA-HUUCEWRRSA-N 1 0 382.482 2.166 20 0 GEADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659358104 652354952 /nfs/dbraw/zinc/35/49/52/652354952.db2.gz PAVDXWFXKFPMTP-CQSZACIVSA-N 1 0 388.256 2.343 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000625553615 652355157 /nfs/dbraw/zinc/35/51/57/652355157.db2.gz UPYWXVOMGJEBCC-NSHDSACASA-N 1 0 377.432 2.183 20 0 GEADRO [NH3+]CCn1cc(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000659386848 652356061 /nfs/dbraw/zinc/35/60/61/652356061.db2.gz RXFMMXVRSIAFBV-AWEZNQCLSA-N 1 0 378.274 2.197 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388767 652356079 /nfs/dbraw/zinc/35/60/79/652356079.db2.gz DFLIYTKVUYPGOP-MGPQQGTHSA-N 1 0 388.530 2.249 20 0 GEADRO O=C(CC1CCCC1)NCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000579827728 652356320 /nfs/dbraw/zinc/35/63/20/652356320.db2.gz VAGJZTUFDSPPMY-MRXNPFEDSA-N 1 0 399.329 2.475 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000659389611 652356421 /nfs/dbraw/zinc/35/64/21/652356421.db2.gz NTVGFQVDYKPQDB-HUUCEWRRSA-N 1 0 381.249 2.455 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC[C@H]1F ZINC000659390960 652356449 /nfs/dbraw/zinc/35/64/49/652356449.db2.gz JQMTWESACKSZTF-KFWWJZLASA-N 1 0 388.270 2.496 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000579836184 652356680 /nfs/dbraw/zinc/35/66/80/652356680.db2.gz CFVBXLSXWDVOST-CVEARBPZSA-N 1 0 376.881 2.137 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000659449451 652358319 /nfs/dbraw/zinc/35/83/19/652358319.db2.gz FISGLMSVVQFOQL-KDJCLPLCSA-N 1 0 379.302 2.161 20 0 GEADRO [NH3+]C1(CNC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CCCC1 ZINC000659459046 652358761 /nfs/dbraw/zinc/35/87/61/652358761.db2.gz YGFCRMQYWQULGK-UHFFFAOYSA-N 1 0 393.289 2.305 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000659484800 652359160 /nfs/dbraw/zinc/35/91/60/652359160.db2.gz TYGMOJOXSAZIKF-AWEZNQCLSA-N 1 0 385.555 2.073 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659493867 652359419 /nfs/dbraw/zinc/35/94/19/652359419.db2.gz WSAJTKZXYFWIPO-HNNXBMFYSA-N 1 0 398.349 2.457 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000659485976 652359577 /nfs/dbraw/zinc/35/95/77/652359577.db2.gz GCZKDYLLVKSGMJ-KDJCLPLCSA-N 1 0 379.302 2.079 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000579892174 652359609 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[NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000659629262 652362021 /nfs/dbraw/zinc/36/20/21/652362021.db2.gz DKSQTKCZQMUUQR-UHFFFAOYSA-N 1 0 382.251 2.436 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000659681409 652363033 /nfs/dbraw/zinc/36/30/33/652363033.db2.gz UENZEKOTLODHKW-XJKSGUPXSA-N 1 0 398.345 2.376 20 0 GEADRO C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ncc(Br)cn1 ZINC000580027925 652363962 /nfs/dbraw/zinc/36/39/62/652363962.db2.gz JCVYBCFQKVDLRY-NSHDSACASA-N 1 0 382.306 2.474 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NCCC[NH2+]C(C)C)C2 ZINC000659714496 652364161 /nfs/dbraw/zinc/36/41/61/652364161.db2.gz WYUXSJHDQDUWAK-UHFFFAOYSA-N 1 0 382.302 2.104 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C2 ZINC000659716530 652364202 /nfs/dbraw/zinc/36/42/02/652364202.db2.gz AQFYOUIERUJWPK-IUODEOHRSA-N 1 0 394.313 2.233 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NCCC1CC[NH2+]CC1)C2 ZINC000659727939 652364573 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C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)CCSC1 ZINC000625985684 652378017 /nfs/dbraw/zinc/37/80/17/652378017.db2.gz YZXIJEMKBBGGJY-XHDPSFHLSA-N 1 0 376.448 2.333 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000580370616 652378057 /nfs/dbraw/zinc/37/80/57/652378057.db2.gz PZSMMYLCEMKNJH-UHFFFAOYSA-N 1 0 385.917 2.231 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000626168883 652383327 /nfs/dbraw/zinc/38/33/27/652383327.db2.gz AXOUUIWKWIMBQF-CYBMUJFWSA-N 1 0 380.432 2.345 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000626170504 652383829 /nfs/dbraw/zinc/38/38/29/652383829.db2.gz IGFLHFUHHOZMGN-ZDUSSCGKSA-N 1 0 391.331 2.089 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccc(C(F)F)o1)[C@H]1CCS(=O)(=O)C1 ZINC000626272642 652387655 /nfs/dbraw/zinc/38/76/55/652387655.db2.gz GZORIFWFRHOGPC-LBPRGKRZSA-N 1 0 378.441 2.188 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000580704630 652389334 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C[C@H](NC(=O)NCCCN1CCOCC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000752821511 652393871 /nfs/dbraw/zinc/39/38/71/652393871.db2.gz FXIUZGXDGLTECT-LRDDRELGSA-N 1 0 390.311 2.437 20 0 GEADRO C[C@H](NC(=O)NCCCN1CCOCC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752821509 652393954 /nfs/dbraw/zinc/39/39/54/652393954.db2.gz FXIUZGXDGLTECT-BLLLJJGKSA-N 1 0 390.311 2.437 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC000660187179 652394480 /nfs/dbraw/zinc/39/44/80/652394480.db2.gz BBYJDALDCIZRJR-AWEZNQCLSA-N 1 0 377.304 2.076 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000660189133 652394900 /nfs/dbraw/zinc/39/49/00/652394900.db2.gz XRVTUMTXWANORQ-ZDUSSCGKSA-N 1 0 391.331 2.466 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cccc2cc(Br)cnc21 ZINC000626560160 652395740 /nfs/dbraw/zinc/39/57/40/652395740.db2.gz HODMRFRRAIWCLQ-CYBMUJFWSA-N 1 0 379.258 2.185 20 0 GEADRO COc1cc(C[NH2+]CCCN2CCC2)cc(I)c1OC ZINC000580903766 652395938 /nfs/dbraw/zinc/39/59/38/652395938.db2.gz XNIKKWUTAWFGGD-UHFFFAOYSA-N 1 0 390.265 2.494 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)NCc1nc(C(N)=O)cs1)c1ccsc1 ZINC000660339293 652399143 /nfs/dbraw/zinc/39/91/43/652399143.db2.gz PEOWQTOVPOJTDV-CYBMUJFWSA-N 1 0 381.527 2.186 20 0 GEADRO CCC[N@H+](CCCNS(=O)(=O)CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000753142419 652400236 /nfs/dbraw/zinc/40/02/36/652400236.db2.gz AFWZCYMRMRVLKZ-OAHLLOKOSA-N 1 0 377.551 2.037 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)CC[C@H]1[NH3+] ZINC000626832465 652404830 /nfs/dbraw/zinc/40/48/30/652404830.db2.gz VGXDRMNOOSXNCM-BXUZGUMPSA-N 1 0 392.297 2.023 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626833033 652405074 /nfs/dbraw/zinc/40/50/74/652405074.db2.gz DJXSMYBYKCZPQH-UHFFFAOYSA-N 1 0 394.313 2.271 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626850236 652405575 /nfs/dbraw/zinc/40/55/75/652405575.db2.gz CCSGQWSCQPPQKE-GFCCVEGCSA-N 1 0 386.677 2.442 20 0 GEADRO Cc1ccc(Br)c(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000581194037 652405921 /nfs/dbraw/zinc/40/59/21/652405921.db2.gz SLYUEFAEHKJVEQ-ZDUSSCGKSA-N 1 0 394.235 2.323 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000581192827 652405973 /nfs/dbraw/zinc/40/59/73/652405973.db2.gz HPZLUWVBVJJQCX-ZDUSSCGKSA-N 1 0 382.302 2.217 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)c(Br)c1 ZINC000626851677 652406127 /nfs/dbraw/zinc/40/61/27/652406127.db2.gz UWJSMNBQUCLDGQ-ZDUSSCGKSA-N 1 0 380.286 2.405 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2F)CC[C@H]1C(F)(F)F ZINC000626862140 652407094 /nfs/dbraw/zinc/40/70/94/652407094.db2.gz YEEFONZKXMUEJF-DTWKUNHWSA-N 1 0 381.757 2.403 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(Br)c1 ZINC000581246534 652407533 /nfs/dbraw/zinc/40/75/33/652407533.db2.gz ZTOVCTXNXDFFLI-CYBMUJFWSA-N 1 0 387.343 2.297 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C[NH2+]1 ZINC000626891918 652408094 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GEADRO NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)[C@H]3C[C@H]3[NH3+])cc2)s1 ZINC000581304886 652409886 /nfs/dbraw/zinc/40/98/86/652409886.db2.gz BRCZNWLEFKIRHL-WCQYABFASA-N 1 0 394.294 2.491 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)C[NH2+]1 ZINC000626975916 652410111 /nfs/dbraw/zinc/41/01/11/652410111.db2.gz IXRWKPZUSUSXGM-RDBSUJKOSA-N 1 0 381.318 2.468 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000626976140 652410147 /nfs/dbraw/zinc/41/01/47/652410147.db2.gz QFJQURVHBBASJH-VHDGCEQUSA-N 1 0 381.318 2.468 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000626993341 652410859 /nfs/dbraw/zinc/41/08/59/652410859.db2.gz FTPLDRGTMGTOLL-ZDUSSCGKSA-N 1 0 388.306 2.094 20 0 GEADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)NC[C@@H]1COCC[NH2+]1 ZINC000626994694 652410934 /nfs/dbraw/zinc/41/09/34/652410934.db2.gz IKXWFFVVPOKKEY-SNVBAGLBSA-N 1 0 382.675 2.313 20 0 GEADRO C[NH2+]CCOCCNC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000627001868 652411379 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[NH3+]C1(CNC(=O)NCc2cc(F)c(F)cc2Br)CCOCC1 ZINC000627033953 652413077 /nfs/dbraw/zinc/41/30/77/652413077.db2.gz AJRXWPDRZABZGR-UHFFFAOYSA-N 1 0 378.217 2.034 20 0 GEADRO COc1ncc(Br)cc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000660759673 652413281 /nfs/dbraw/zinc/41/32/81/652413281.db2.gz HVXWQNOQVYKUJZ-UHFFFAOYSA-N 1 0 384.318 2.179 20 0 GEADRO [NH3+]C1(CNC(=O)NCCc2ccc(Br)cc2Cl)CCOCC1 ZINC000627045805 652413316 /nfs/dbraw/zinc/41/33/16/652413316.db2.gz VJNHICZLHLBUPB-UHFFFAOYSA-N 1 0 390.709 2.452 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000627078161 652413692 /nfs/dbraw/zinc/41/36/92/652413692.db2.gz JWDOLLLTJBGDOF-CQSZACIVSA-N 1 0 379.258 2.352 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)N[C@H]1CC[NH2+]C12CCC2 ZINC000627129090 652414724 /nfs/dbraw/zinc/41/47/24/652414724.db2.gz BZUOACIEYYUEAN-BBRMVZONSA-N 1 0 396.329 2.184 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)CCOCC1 ZINC000627147778 652415920 /nfs/dbraw/zinc/41/59/20/652415920.db2.gz 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390.311 2.212 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000627492545 652430282 /nfs/dbraw/zinc/43/02/82/652430282.db2.gz HMPMQSGOHGWDMW-UHFFFAOYSA-N 1 0 377.432 2.231 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)C1 ZINC000661427839 652431734 /nfs/dbraw/zinc/43/17/34/652431734.db2.gz JSMWTTCQJQSHII-SJLPKXTDSA-N 1 0 386.945 2.303 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627572199 652432938 /nfs/dbraw/zinc/43/29/38/652432938.db2.gz WLMWRBAJWFPBCF-ZETCQYMHSA-N 1 0 380.645 2.246 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000582062039 652433764 /nfs/dbraw/zinc/43/37/64/652433764.db2.gz MKLFBJZOERDPPT-LLVKDONJSA-N 1 0 396.285 2.069 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@H]1C[NH2+]CCC1(F)F ZINC000582062138 652433827 /nfs/dbraw/zinc/43/38/27/652433827.db2.gz SHHTUZYRSBMDLM-NSHDSACASA-N 1 0 386.449 2.113 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@@H](CCO)c2cccs2)cc1 ZINC000754382636 652434742 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C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000627828030 652440163 /nfs/dbraw/zinc/44/01/63/652440163.db2.gz PAMWERIGBSDLLF-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1Br ZINC000627827667 652440231 /nfs/dbraw/zinc/44/02/31/652440231.db2.gz GAJOWUHHRGHYGG-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ncc1Br ZINC000627907277 652441945 /nfs/dbraw/zinc/44/19/45/652441945.db2.gz SVQIGMNKGNAARZ-CYBMUJFWSA-N 1 0 395.301 2.224 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000582241374 652441955 /nfs/dbraw/zinc/44/19/55/652441955.db2.gz OPRNGPMBTAQOFB-OAHLLOKOSA-N 1 0 389.315 2.222 20 0 GEADRO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000661970602 652443689 /nfs/dbraw/zinc/44/36/89/652443689.db2.gz FWWUMPPGXQADKR-KBPBESRZSA-N 1 0 398.370 2.497 20 0 GEADRO C/C=C\CNC(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000627934955 652443817 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COc1cc(Br)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000662159775 652449435 /nfs/dbraw/zinc/44/94/35/652449435.db2.gz KTXSIIOKPGAGDE-OAHLLOKOSA-N 1 0 399.329 2.497 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662155093 652449580 /nfs/dbraw/zinc/44/95/80/652449580.db2.gz HNWPMNVIDNLIBZ-DZGCQCFKSA-N 1 0 396.329 2.307 20 0 GEADRO [NH3+]CC1(C(=O)NCc2ccc(Br)cc2N2CCOCC2)CCCC1 ZINC000582423287 652449784 /nfs/dbraw/zinc/44/97/84/652449784.db2.gz QBCZQWYYQFWGME-UHFFFAOYSA-N 1 0 396.329 2.421 20 0 GEADRO [NH3+]C[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccc(Br)cn1 ZINC000582488839 652452345 /nfs/dbraw/zinc/45/23/45/652452345.db2.gz SYUNAKFECMFBRF-OAHLLOKOSA-N 1 0 375.270 2.341 20 0 GEADRO NS(=O)(=O)c1cc2c(s1)CCN([C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000662224102 652453537 /nfs/dbraw/zinc/45/35/37/652453537.db2.gz AYKUKDMPXZANDD-MRXNPFEDSA-N 1 0 377.535 2.028 20 0 GEADRO O=C(Nc1ccccc1Br)C1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662256528 652454730 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GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC[C@H]1F ZINC000662926607 652478875 /nfs/dbraw/zinc/47/88/75/652478875.db2.gz QMLVEJVJSUOJPI-RBSFLKMASA-N 1 0 398.276 2.010 20 0 GEADRO CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000583260089 652479281 /nfs/dbraw/zinc/47/92/81/652479281.db2.gz JGIKVZXNVSGNBD-CHWSQXEVSA-N 1 0 397.317 2.409 20 0 GEADRO CCC[NH2+][C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000583260092 652479320 /nfs/dbraw/zinc/47/93/20/652479320.db2.gz JGIKVZXNVSGNBD-OLZOCXBDSA-N 1 0 397.317 2.409 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cncc(Br)c1 ZINC000583275056 652479612 /nfs/dbraw/zinc/47/96/12/652479612.db2.gz ZLKVKTSJUOGEBJ-BXUZGUMPSA-N 1 0 376.320 2.309 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)C2 ZINC000662992747 652480597 /nfs/dbraw/zinc/48/05/97/652480597.db2.gz IYGSNVBEUXBCFD-ZDUSSCGKSA-N 1 0 394.313 2.187 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)[C@H](C[NH3+])C1 ZINC000662986244 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20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000583500362 652487303 /nfs/dbraw/zinc/48/73/03/652487303.db2.gz VCDUUHNNSAKCMW-NWDGAFQWSA-N 1 0 384.318 2.085 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000583500363 652487343 /nfs/dbraw/zinc/48/73/43/652487343.db2.gz VCDUUHNNSAKCMW-RYUDHWBXSA-N 1 0 384.318 2.085 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CCc2cc(Br)ccc21 ZINC000583502074 652487786 /nfs/dbraw/zinc/48/77/86/652487786.db2.gz ZTTXTXGMWXAULZ-NVXWUHKLSA-N 1 0 381.314 2.442 20 0 GEADRO O=C(CCc1cc(F)ccc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000583563310 652489996 /nfs/dbraw/zinc/48/99/96/652489996.db2.gz OTKHGOWVIKKGOT-HNNXBMFYSA-N 1 0 384.293 2.027 20 0 GEADRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)[C@H](O)C(F)(F)F ZINC000583564767 652490037 /nfs/dbraw/zinc/49/00/37/652490037.db2.gz DMDLBYYDXIIJQD-WXHSDQCUSA-N 1 0 386.208 2.480 20 0 GEADRO O=S(=O)(N1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1)C(F)(F)F ZINC000756146649 652490414 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CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)s1 ZINC000668154489 652631062 /nfs/dbraw/zinc/63/10/62/652631062.db2.gz RLEUIIVLPXASGL-SMDDNHRTSA-N 1 0 379.507 2.024 20 0 GEADRO O[C@@]1(CC[NH2+]Cc2ccc(F)cc2I)CCCOC1 ZINC000593688343 652631916 /nfs/dbraw/zinc/63/19/16/652631916.db2.gz OWKXXWDREHCPAP-CQSZACIVSA-N 1 0 379.213 2.452 20 0 GEADRO [NH3+]CC1(CCNC(=O)NCCc2ccc(I)s2)CC1 ZINC000593704860 652632669 /nfs/dbraw/zinc/63/26/69/652632669.db2.gz XIFFLETYYPCLQU-UHFFFAOYSA-N 1 0 393.294 2.323 20 0 GEADRO C[NH+]1CCN(c2ccnc(NC(=O)c3ncc(Br)s3)c2)CC1 ZINC000634194384 652633743 /nfs/dbraw/zinc/63/37/43/652633743.db2.gz QIMAJHXXUOMYBP-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)c1ccc(OC)c(I)n1 ZINC000761161638 652634971 /nfs/dbraw/zinc/63/49/71/652634971.db2.gz UTGLOTYBQQPVDZ-UHFFFAOYSA-N 1 0 391.253 2.157 20 0 GEADRO COC(=O)[C@]12C[N@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C[C@H]1CCCC2 ZINC000594016292 652636713 /nfs/dbraw/zinc/63/67/13/652636713.db2.gz 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O=S1(=O)CCC[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634713882 652657401 /nfs/dbraw/zinc/65/74/01/652657401.db2.gz CAGQRQUKCQRSRP-SMDDNHRTSA-N 1 0 382.309 2.148 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1ccccc1Br)C1CC1 ZINC000634721426 652658916 /nfs/dbraw/zinc/65/89/16/652658916.db2.gz YNQRHNMZKORCLE-XCRHUMRWSA-N 1 0 386.330 2.102 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(F)c(Br)cc1F)CC1(O)CCOCC1 ZINC000634722827 652659703 /nfs/dbraw/zinc/65/97/03/652659703.db2.gz VOCUWDBSSPLUQN-LLVKDONJSA-N 1 0 380.229 2.109 20 0 GEADRO O[C@@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)COCc1ccccc1Cl ZINC000634725742 652659720 /nfs/dbraw/zinc/65/97/20/652659720.db2.gz BXQPRXZLLMQSBR-JSGCOSHPSA-N 1 0 378.782 2.202 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1F ZINC000594466531 652659695 /nfs/dbraw/zinc/65/96/95/652659695.db2.gz RLCVOBJWWCRDEI-JTQLQIEISA-N 1 0 380.869 2.273 20 0 GEADRO O[C@@H](C[NH2+]CC[C@H](O)C(F)F)COc1ccc(Cl)cc1Br ZINC000634725947 652660510 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C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]2c2ccc(Br)cc2)CC[N@@H+]1C ZINC000668893048 652673739 /nfs/dbraw/zinc/67/37/39/652673739.db2.gz LYRUDDOUJYADAJ-KCXAZCMYSA-N 1 0 394.313 2.321 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000634950848 652677626 /nfs/dbraw/zinc/67/76/26/652677626.db2.gz FNIPGJMYEKTZGO-YJBOKZPZSA-N 1 0 386.945 2.270 20 0 GEADRO CCc1nc(CN2CCC(C[NH2+][C@H]3CCCS(=O)(=O)CC3)CC2)cs1 ZINC000634961530 652678227 /nfs/dbraw/zinc/67/82/27/652678227.db2.gz XJVXSIOBGFPXCF-INIZCTEOSA-N 1 0 385.599 2.474 20 0 GEADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668974042 652678459 /nfs/dbraw/zinc/67/84/59/652678459.db2.gz AHNMWQRDZOPVJO-CYBMUJFWSA-N 1 0 397.321 2.120 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+][C@@H](CCO)c2ccccc2Br)CC1 ZINC000634974848 652679469 /nfs/dbraw/zinc/67/94/69/652679469.db2.gz LSHDRGKLZYGGOJ-WFASDCNBSA-N 1 0 376.316 2.430 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000634981243 652680938 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377.329 2.265 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC(C)(C)c2ccc(Br)cc2)CCO1 ZINC000669391071 652695643 /nfs/dbraw/zinc/69/56/43/652695643.db2.gz QCEUOFBBVOHYMH-WFASDCNBSA-N 1 0 384.318 2.484 20 0 GEADRO [NH3+]C/C=C\CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000669399126 652696147 /nfs/dbraw/zinc/69/61/47/652696147.db2.gz LGHIWNOHZADFJN-UPHRSURJSA-N 1 0 382.302 2.311 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)s1 ZINC000594918538 652696362 /nfs/dbraw/zinc/69/63/62/652696362.db2.gz BPMGYNCUIWIAMD-BPLDGKMQSA-N 1 0 388.555 2.108 20 0 GEADRO O=C(CCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1ccc(Br)cc1 ZINC000669403727 652696587 /nfs/dbraw/zinc/69/65/87/652696587.db2.gz QKJWZIFZTKJIAI-IUODEOHRSA-N 1 0 395.301 2.171 20 0 GEADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@H]1C ZINC000594955875 652698211 /nfs/dbraw/zinc/69/82/11/652698211.db2.gz GESVNVVWDFTEAZ-OBJOEFQTSA-N 1 0 398.301 2.141 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1OC 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CC(C)[C@H]([NH3+])CCNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000595951176 652742929 /nfs/dbraw/zinc/74/29/29/652742929.db2.gz NPTGBVUCCOVGHQ-LLVKDONJSA-N 1 0 386.237 2.271 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000670378373 652744205 /nfs/dbraw/zinc/74/42/05/652744205.db2.gz XUOONOPZRREXPB-KRWDZBQOSA-N 1 0 381.314 2.396 20 0 GEADRO COC(=O)[C@H](NC(=O)c1csc(CC[NH3+])n1)c1ccccc1Br ZINC000595970023 652744793 /nfs/dbraw/zinc/74/47/93/652744793.db2.gz JDJMUMFNDDNBDE-CYBMUJFWSA-N 1 0 398.282 2.051 20 0 GEADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CSc2nncs2)CC1 ZINC000670396773 652745106 /nfs/dbraw/zinc/74/51/06/652745106.db2.gz GUMKSEVODYCPQX-AWEZNQCLSA-N 1 0 386.587 2.350 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000670447220 652749743 /nfs/dbraw/zinc/74/97/43/652749743.db2.gz NNJUPIRJZVTTIA-CABCVRRESA-N 1 0 396.329 2.031 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000670604977 652759309 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COC(=O)[C@@H]1CN(C(=O)Nc2cccc(Br)c2F)CC[N@H+](C)C1 ZINC000597080127 652774073 /nfs/dbraw/zinc/77/40/73/652774073.db2.gz XBSSVVPCIWSIET-JTQLQIEISA-N 1 0 388.237 2.157 20 0 GEADRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000597222110 652776294 /nfs/dbraw/zinc/77/62/94/652776294.db2.gz KGZLRPFLIPCFIN-OTVXOJSOSA-N 1 0 383.286 2.327 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671107549 652778633 /nfs/dbraw/zinc/77/86/33/652778633.db2.gz QDSDIOLLQGAIIP-JKSUJKDBSA-N 1 0 384.307 2.395 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671182673 652785054 /nfs/dbraw/zinc/78/50/54/652785054.db2.gz GNTDMUMDRAGSDN-CVEARBPZSA-N 1 0 394.313 2.117 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000764268676 652793668 /nfs/dbraw/zinc/79/36/68/652793668.db2.gz NMSHICXFNVSPBH-LLVKDONJSA-N 1 0 398.276 2.078 20 0 GEADRO CCN(C(=O)COc1ccc(I)cc1)[C@H]1CC[N@H+](C)C1 ZINC000597947612 652794109 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CCCN(CCN1CCCC1)S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000671696999 652809761 /nfs/dbraw/zinc/80/97/61/652809761.db2.gz PBYJJEPSYLYOOO-AWEZNQCLSA-N 1 0 387.571 2.442 20 0 GEADRO COC[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)C(C)C ZINC000671766051 652811943 /nfs/dbraw/zinc/81/19/43/652811943.db2.gz OKFGZQGKOJYQGE-CQSZACIVSA-N 1 0 393.347 2.378 20 0 GEADRO COc1cc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)cn1 ZINC000598596442 652823622 /nfs/dbraw/zinc/82/36/22/652823622.db2.gz RNUOIIKWWJBXOL-INIZCTEOSA-N 1 0 397.361 2.453 20 0 GEADRO C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000672013642 652825358 /nfs/dbraw/zinc/82/53/58/652825358.db2.gz MHJJOEPKDVQQLA-ZDUSSCGKSA-N 1 0 396.329 2.254 20 0 GEADRO C[NH+](C)CCN(C(=O)c1cc2ncc(Br)cn2n1)C1CCCC1 ZINC000636977055 652833024 /nfs/dbraw/zinc/83/30/24/652833024.db2.gz FYXCNHINSPNEMH-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)N(CCO)Cc1cc(Br)cs1 ZINC000636987561 652833965 /nfs/dbraw/zinc/83/39/65/652833965.db2.gz BUEREQSMELICGB-GFCCVEGCSA-N 1 0 376.320 2.157 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000765362297 652837499 /nfs/dbraw/zinc/83/74/99/652837499.db2.gz CDBVQENBGGQLPP-GFCCVEGCSA-N 1 0 398.301 2.305 20 0 GEADRO O=C(N[C@H]1Cc2cncn2C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000637123035 652840155 /nfs/dbraw/zinc/84/01/55/652840155.db2.gz UYWBELMFQSTXOG-HZMBPMFUSA-N 1 0 377.242 2.393 20 0 GEADRO COCC[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637126029 652840680 /nfs/dbraw/zinc/84/06/80/652840680.db2.gz JOHRBTVHCPJLHD-XJKSGUPXSA-N 1 0 390.311 2.437 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C ZINC000765513457 652842175 /nfs/dbraw/zinc/84/21/75/652842175.db2.gz RQOODHYNCBXWIA-KGLIPLIRSA-N 1 0 384.571 2.048 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1Br ZINC000672835445 652846025 /nfs/dbraw/zinc/84/60/25/652846025.db2.gz HUJXWLKMAPQMDZ-GFCCVEGCSA-N 1 0 395.301 2.415 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000672850023 652846541 /nfs/dbraw/zinc/84/65/41/652846541.db2.gz CAIHTGLDPHNRLX-OAHLLOKOSA-N 1 0 395.301 2.479 20 0 GEADRO Cc1ncc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000637227285 652847289 /nfs/dbraw/zinc/84/72/89/652847289.db2.gz WFAFKXDRJDJVLW-GFCCVEGCSA-N 1 0 380.539 2.281 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000599088470 652848576 /nfs/dbraw/zinc/84/85/76/652848576.db2.gz LGRFAYKIEFBCET-AWEZNQCLSA-N 1 0 399.285 2.322 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000599088053 652848606 /nfs/dbraw/zinc/84/86/06/652848606.db2.gz IKWPFLVRMFKXFR-HNNXBMFYSA-N 1 0 383.286 2.486 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000599088054 652848615 /nfs/dbraw/zinc/84/86/15/652848615.db2.gz IKWPFLVRMFKXFR-OAHLLOKOSA-N 1 0 383.286 2.486 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000599088762 652848664 /nfs/dbraw/zinc/84/86/64/652848664.db2.gz 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CO[C@H](CNc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@H]1CCOC1 ZINC000639241366 652927319 /nfs/dbraw/zinc/92/73/19/652927319.db2.gz JVRKIIOJPVWBME-SWLSCSKDSA-N 1 0 386.290 2.144 20 0 GEADRO C[C@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000639380816 652936082 /nfs/dbraw/zinc/93/60/82/652936082.db2.gz IAKUFULWVNCNQS-RISCZKNCSA-N 1 0 376.404 2.178 20 0 GEADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000639513464 652939970 /nfs/dbraw/zinc/93/99/70/652939970.db2.gz HRAKOWPDVFAHHA-WMLDXEAASA-N 1 0 389.323 2.387 20 0 GEADRO O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000675995031 652949975 /nfs/dbraw/zinc/94/99/75/652949975.db2.gz MNYKWFBJIQTNRE-HOTGVXAUSA-N 1 0 382.302 2.266 20 0 GEADRO Cc1ccc(NC(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000639760530 652952070 /nfs/dbraw/zinc/95/20/70/652952070.db2.gz FWSXGTWXOCULEQ-QGZVFWFLSA-N 1 0 384.318 2.085 20 0 GEADRO C[C@H](NC(=O)CN1CCC[C@@](O)(C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000639766879 652952652 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C[NH+](C)CCCNC(=S)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000771549858 653115091 /nfs/dbraw/zinc/11/50/91/653115091.db2.gz WBLIKGNHCXKORT-CYBMUJFWSA-N 1 0 376.448 2.380 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3CSCCS3)CC2)CC1 ZINC000771554233 653115529 /nfs/dbraw/zinc/11/55/29/653115529.db2.gz ARROUAVBALKAII-QGZVFWFLSA-N 1 0 386.631 2.035 20 0 GEADRO CN(C(=O)Nc1nn(C)cc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000640312272 653116303 /nfs/dbraw/zinc/11/63/03/653116303.db2.gz YMTFEOAUFKFVAN-AWEZNQCLSA-N 1 0 392.301 2.921 20 0 GEADRO Cc1cccc2ncc(C[NH2+]CCNS(=O)(=O)c3ccc(Cl)s3)n21 ZINC000676904040 653116413 /nfs/dbraw/zinc/11/64/13/653116413.db2.gz DPWRQZWRXBFZQT-UHFFFAOYSA-N 1 0 384.914 2.426 20 0 GEADRO Cn1cc(Br)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000640312378 653116628 /nfs/dbraw/zinc/11/66/28/653116628.db2.gz AZNVCBSCLYEEHD-ZIAGYGMSSA-N 1 0 378.274 2.750 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000677000344 653118982 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COC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)n1C ZINC000602009696 653137799 /nfs/dbraw/zinc/13/77/99/653137799.db2.gz AJGNFLQSCQBKMS-CYBMUJFWSA-N 1 0 397.269 2.104 20 0 GEADRO COc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(I)c1OC ZINC000602021535 653138443 /nfs/dbraw/zinc/13/84/43/653138443.db2.gz PJYJGLGPQRFEMR-TXEJJXNPSA-N 1 0 388.249 2.245 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc(CN2CC[NH2+]CC2)nn1 ZINC000640782220 653138452 /nfs/dbraw/zinc/13/84/52/653138452.db2.gz RNRJXUHDGURQKB-NSHDSACASA-N 1 0 383.283 2.190 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)n1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640800355 653139378 /nfs/dbraw/zinc/13/93/78/653139378.db2.gz DUURSTQEZZOFTI-VCTAVGKDSA-N 1 0 394.273 2.419 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000679293841 653142908 /nfs/dbraw/zinc/14/29/08/653142908.db2.gz UUICYPQLIRKQLD-ZFWWWQNUSA-N 1 0 378.416 2.441 20 0 GEADRO CS(=O)(=O)NCCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679330484 653144330 /nfs/dbraw/zinc/14/43/30/653144330.db2.gz KPUWWGKZWKBIPI-GJZGRUSLSA-N 1 0 391.331 2.198 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]cc(I)c3c2)C1 ZINC000602081528 653145452 /nfs/dbraw/zinc/14/54/52/653145452.db2.gz WYKHACIMCGAYDU-JTQLQIEISA-N 1 0 383.233 2.454 20 0 GEADRO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000679382520 653145440 /nfs/dbraw/zinc/14/54/40/653145440.db2.gz CDIVOMRHPXGXPI-OAHLLOKOSA-N 1 0 385.295 2.446 20 0 GEADRO COC[C@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640905618 653145682 /nfs/dbraw/zinc/14/56/82/653145682.db2.gz AKMICCBRXLKCGF-NWDGAFQWSA-N 1 0 396.289 2.065 20 0 GEADRO Cc1cc(NC(=O)[C@@H](C)n2cc(COCC[NH3+])nn2)ccc1Br ZINC000640906523 653146268 /nfs/dbraw/zinc/14/62/68/653146268.db2.gz IECAQGLHPONJCZ-LLVKDONJSA-N 1 0 382.262 2.024 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000640979863 653148074 /nfs/dbraw/zinc/14/80/74/653148074.db2.gz MAAHZVSWECZPFQ-UHFFFAOYSA-N 1 0 384.303 2.013 20 0 GEADRO CS[C@@H]1CN(C(=O)CC2CCN(CC(F)F)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000602136362 653149685 /nfs/dbraw/zinc/14/96/85/653149685.db2.gz RLEYTLAOAFBNIP-JKSUJKDBSA-N 1 0 375.529 2.392 20 0 GEADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cnc(Cl)n1C ZINC000769390255 653151139 /nfs/dbraw/zinc/15/11/39/653151139.db2.gz RIZQGDQOJUXHAI-DZGCQCFKSA-N 1 0 380.901 2.379 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000602155441 653152258 /nfs/dbraw/zinc/15/22/58/653152258.db2.gz MLXWSMCSBMBSCL-NUEKZKHPSA-N 1 0 397.313 2.274 20 0 GEADRO CC[C@H]([NH3+])c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641041597 653152270 /nfs/dbraw/zinc/15/22/70/653152270.db2.gz MVZXZYFRBWQMQA-LBPRGKRZSA-N 1 0 377.246 2.473 20 0 GEADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000641041548 653152319 /nfs/dbraw/zinc/15/23/19/653152319.db2.gz CYHMHTMISAQPPG-GDBMZVCRSA-N 1 0 384.318 2.041 20 0 GEADRO COc1ccc(Br)c(Cn2cc(CCN3CCC([NH3+])CC3)nn2)c1 ZINC000641058768 653153519 /nfs/dbraw/zinc/15/35/19/653153519.db2.gz VKAXPRKPMHQZNI-UHFFFAOYSA-N 1 0 394.317 2.063 20 0 GEADRO O=S1(=O)CC[C@@H](CC[NH2+][C@H](CCO)c2ccccc2Br)C1 ZINC000679832715 653153856 /nfs/dbraw/zinc/15/38/56/653153856.db2.gz HBPYUQCTMIWWAF-IUODEOHRSA-N 1 0 376.316 2.287 20 0 GEADRO COC[C@@H]([NH3+])Cc1cn(Cc2ncc(-c3ccccc3Br)o2)nn1 ZINC000641064366 653154199 /nfs/dbraw/zinc/15/41/99/653154199.db2.gz PWIPNJQVYWCBOH-NSHDSACASA-N 1 0 392.257 2.260 20 0 GEADRO COC[C@H]([NH3+])Cc1cn(Cc2ncc(-c3cccc(Br)c3)o2)nn1 ZINC000641072862 653154810 /nfs/dbraw/zinc/15/48/10/653154810.db2.gz LRISAFCDYOSTDC-CYBMUJFWSA-N 1 0 392.257 2.260 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cnc(Cl)n1C ZINC000769428570 653156041 /nfs/dbraw/zinc/15/60/41/653156041.db2.gz OHCHDXWXVWTWCX-UKRRQHHQSA-N 1 0 382.917 2.262 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cnc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000769438879 653157218 /nfs/dbraw/zinc/15/72/18/653157218.db2.gz JLATUQLHINIATL-HIFRSBDPSA-N 1 0 382.917 2.405 20 0 GEADRO COc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000602200212 653157405 /nfs/dbraw/zinc/15/74/05/653157405.db2.gz HPICTTZHYRKCBU-AWEZNQCLSA-N 1 0 396.329 2.356 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000679915471 653158313 /nfs/dbraw/zinc/15/83/13/653158313.db2.gz KLFSLQRNBHBJEE-LLVKDONJSA-N 1 0 396.285 2.383 20 0 GEADRO Clc1c(Br)cccc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641118710 653158330 /nfs/dbraw/zinc/15/83/30/653158330.db2.gz SEVKFMHVTVMJRL-UHFFFAOYSA-N 1 0 384.709 2.190 20 0 GEADRO C[NH+]1CCN(Cc2cn(Cc3ccc(Br)c(Cl)c3)nn2)CC1 ZINC000641115572 653158571 /nfs/dbraw/zinc/15/85/71/653158571.db2.gz RKVVNAMXMRQOPS-UHFFFAOYSA-N 1 0 384.709 2.490 20 0 GEADRO Cc1cc(Cn2cc(CNC(=O)C3CC[NH2+]CC3)nn2)ccc1Br ZINC000641129315 653160499 /nfs/dbraw/zinc/16/04/99/653160499.db2.gz KFOQPDWRBGNAGJ-UHFFFAOYSA-N 1 0 392.301 2.013 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000806372595 653160565 /nfs/dbraw/zinc/16/05/65/653160565.db2.gz VKZNJTVXMDYSML-GOEBONIOSA-N 1 0 377.360 2.238 20 0 GEADRO CC(C)(C)n1ncnc1Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641166807 653165007 /nfs/dbraw/zinc/16/50/07/653165007.db2.gz ZZAJODNCPLDABM-OAHLLOKOSA-N 1 0 390.289 2.484 20 0 GEADRO C[NH+]1CCN(Cc2cn(CCOc3cc(F)cc(Br)c3)nn2)CC1 ZINC000641175284 653166239 /nfs/dbraw/zinc/16/62/39/653166239.db2.gz HVNPQJWMPGEEOT-UHFFFAOYSA-N 1 0 398.280 2.006 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641192175 653167131 /nfs/dbraw/zinc/16/71/31/653167131.db2.gz HUJYRQRGQQWXAX-BBRMVZONSA-N 1 0 395.301 2.023 20 0 GEADRO Ic1cnn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000772825582 653167896 /nfs/dbraw/zinc/16/78/96/653167896.db2.gz CIGSUVSMWOIKMK-IUODEOHRSA-N 1 0 386.281 2.394 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000772874307 653170108 /nfs/dbraw/zinc/17/01/08/653170108.db2.gz BSQFAMDXPBPFNT-GJZGRUSLSA-N 1 0 377.551 2.084 20 0 GEADRO CCc1nnc([C@@H](C)n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)[nH]1 ZINC000641209358 653170220 /nfs/dbraw/zinc/17/02/20/653170220.db2.gz URUULZDDGZVOJZ-YMTOWFKASA-N 1 0 376.262 2.379 20 0 GEADRO CC(C)OCC[C@@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641229727 653171676 /nfs/dbraw/zinc/17/16/76/653171676.db2.gz UDQSVBUFGCNTPS-ZBFHGGJFSA-N 1 0 383.290 2.265 20 0 GEADRO CC(C)OCC[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641229722 653171846 /nfs/dbraw/zinc/17/18/46/653171846.db2.gz UDQSVBUFGCNTPS-GOEBONIOSA-N 1 0 383.290 2.265 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C)c1 ZINC000772958676 653174234 /nfs/dbraw/zinc/17/42/34/653174234.db2.gz JNXAUYMONIZPPW-QWHCGFSZSA-N 1 0 387.571 2.432 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)c(F)cc1Br ZINC000806919750 653178958 /nfs/dbraw/zinc/17/89/58/653178958.db2.gz TWWJGCYDGVWLKH-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000807029435 653181738 /nfs/dbraw/zinc/18/17/38/653181738.db2.gz HVCUUQWJVRECHB-GOEBONIOSA-N 1 0 377.360 2.238 20 0 GEADRO C[S@@](=O)C1(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000602455411 653182427 /nfs/dbraw/zinc/18/24/27/653182427.db2.gz XIEIBOMWAVEJHX-BSNNYGBQSA-N 1 0 377.293 2.044 20 0 GEADRO C[C@H](NC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000602456282 653182647 /nfs/dbraw/zinc/18/26/47/653182647.db2.gz WYUXXRLYOLUWMW-ZJWNCGCPSA-N 1 0 377.535 2.488 20 0 GEADRO C[NH+](C)CCNC(=S)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000773189900 653186850 /nfs/dbraw/zinc/18/68/50/653186850.db2.gz DNFBIMGCEYITNW-UHFFFAOYSA-N 1 0 382.331 2.161 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000773195727 653187389 /nfs/dbraw/zinc/18/73/89/653187389.db2.gz APFNRBWYPXQULR-CZUORRHYSA-N 1 0 394.313 2.403 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000773196360 653187397 /nfs/dbraw/zinc/18/73/97/653187397.db2.gz DBGXKPJOZNGRNQ-LBPRGKRZSA-N 1 0 379.917 2.488 20 0 GEADRO C[C@H]1COCC[C@@H]1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000641328786 653187758 /nfs/dbraw/zinc/18/77/58/653187758.db2.gz JXDROIOKPBZJMQ-HOTGVXAUSA-N 1 0 376.588 2.083 20 0 GEADRO OC1CC[NH+](CCCNCc2ccc(I)s2)CC1 ZINC000602525922 653188277 /nfs/dbraw/zinc/18/82/77/653188277.db2.gz NHHAXDDXIUADNO-UHFFFAOYSA-N 1 0 380.295 2.289 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000641329606 653188386 /nfs/dbraw/zinc/18/83/86/653188386.db2.gz JAUVGYLDGAXQAW-SQNIBIBYSA-N 1 0 376.563 2.002 20 0 GEADRO C[S@@](=O)C1(C(=O)NCC/C=C\c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000602530183 653188503 /nfs/dbraw/zinc/18/85/03/653188503.db2.gz FCFZIZFQWFIQMA-DZWQPHDGSA-N 1 0 399.354 2.469 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cc4cc(Br)ccc4s3)CCN2C1=O ZINC000602528683 653188507 /nfs/dbraw/zinc/18/85/07/653188507.db2.gz SQWNYGYATQMSJC-NWDGAFQWSA-N 1 0 394.294 2.048 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl ZINC000602544595 653190348 /nfs/dbraw/zinc/19/03/48/653190348.db2.gz MOQIJQUDZDQNGO-XHSDSOJGSA-N 1 0 383.945 2.448 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000807354580 653191385 /nfs/dbraw/zinc/19/13/85/653191385.db2.gz LUZCMGTXVUMQRJ-STQMWFEESA-N 1 0 395.301 2.176 20 0 GEADRO COC(=O)c1[nH]c(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1C ZINC000602569593 653191747 /nfs/dbraw/zinc/19/17/47/653191747.db2.gz BKPCQKUFRMTHQY-CYBMUJFWSA-N 1 0 397.269 2.402 20 0 GEADRO C[S@](=O)C1(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)CC[NH2+]CC1 ZINC000602570845 653191760 /nfs/dbraw/zinc/19/17/60/653191760.db2.gz UNXXIDZCCNTQIR-VWLOTQADSA-N 1 0 385.892 2.120 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)on1 ZINC000602635423 653196750 /nfs/dbraw/zinc/19/67/50/653196750.db2.gz DMHCWIUXQGCXBH-GFCCVEGCSA-N 1 0 383.242 2.165 20 0 GEADRO CC[C@@](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)(C(=O)OC)c1ccccc1 ZINC000602696458 653201327 /nfs/dbraw/zinc/20/13/27/653201327.db2.gz QQUPPPMLNCRFSI-KRWDZBQOSA-N 1 0 382.507 2.006 20 0 GEADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(I)s2)CS1(=O)=O ZINC000602709732 653201849 /nfs/dbraw/zinc/20/18/49/653201849.db2.gz IVBDDSOVBDFNOZ-BDAKNGLRSA-N 1 0 385.292 2.408 20 0 GEADRO CC1(C)CN(C(=O)c2c[nH]c3cccc(Br)c32)CC[N@@H+]1CCO ZINC000682007565 653202524 /nfs/dbraw/zinc/20/25/24/653202524.db2.gz HJEXYTGOAWJLNX-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO CC1(C)CN(C(=O)CCc2ccc(Br)cc2F)CC[N@@H+]1CCO ZINC000682009542 653203180 /nfs/dbraw/zinc/20/31/80/653203180.db2.gz WGGJNDYKXGKNSU-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO CCOC(=O)[C@@]1(C[NH2+]Cc2snc(OC)c2Br)CCCOC1 ZINC000602743820 653204008 /nfs/dbraw/zinc/20/40/08/653204008.db2.gz HKPGJFKWAJAPDI-CQSZACIVSA-N 1 0 393.303 2.364 20 0 GEADRO CC1(C)CN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@@H+]1CCO ZINC000682036279 653204915 /nfs/dbraw/zinc/20/49/15/653204915.db2.gz OETICBXAKSRNSL-MRXNPFEDSA-N 1 0 386.323 2.487 20 0 GEADRO CC1(C)CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1CCO ZINC000682037486 653205129 /nfs/dbraw/zinc/20/51/29/653205129.db2.gz FGICLXMQQSHTAO-CQSZACIVSA-N 1 0 377.312 2.122 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1(F)F ZINC000641437353 653206173 /nfs/dbraw/zinc/20/61/73/653206173.db2.gz KYGNQMIYZNKIRT-MRXNPFEDSA-N 1 0 380.501 2.186 20 0 GEADRO Cn1cc(I)c(C(=O)Nc2ccc(C[NH+](C)C)cc2)n1 ZINC000602776479 653206368 /nfs/dbraw/zinc/20/63/68/653206368.db2.gz SJDPLGRLXNTOLY-UHFFFAOYSA-N 1 0 384.221 2.339 20 0 GEADRO COC(=O)CC1([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000602796455 653206890 /nfs/dbraw/zinc/20/68/90/653206890.db2.gz ONCXGKYNLDCDEY-CQSZACIVSA-N 1 0 392.279 2.435 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000682283175 653207549 /nfs/dbraw/zinc/20/75/49/653207549.db2.gz XHXPLAJQQUCZJQ-UHFFFAOYSA-N 1 0 392.244 2.466 20 0 GEADRO COc1cc(CS(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000641466840 653209998 /nfs/dbraw/zinc/20/99/98/653209998.db2.gz YPQLHXWVSRKPDS-OAHLLOKOSA-N 1 0 381.523 2.093 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000602892741 653213104 /nfs/dbraw/zinc/21/31/04/653213104.db2.gz SIVUTBAZZGNIJU-QMHKHESXSA-N 1 0 379.353 2.490 20 0 GEADRO CC(C)[NH+](CCCNC(=O)c1nn(C)cc1I)C(C)C ZINC000602915183 653214792 /nfs/dbraw/zinc/21/47/92/653214792.db2.gz KEBDZANOKKMUJA-UHFFFAOYSA-N 1 0 392.285 2.263 20 0 GEADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccnc1I ZINC000770487410 653214906 /nfs/dbraw/zinc/21/49/06/653214906.db2.gz OZVPCMDXWVWEHJ-NSHDSACASA-N 1 0 375.254 2.392 20 0 GEADRO C[C@H](NC(=O)c1cccnc1I)C(C)(C)C[NH+](C)C ZINC000770501063 653215427 /nfs/dbraw/zinc/21/54/27/653215427.db2.gz BDDNFKVGHIDXHE-JTQLQIEISA-N 1 0 375.254 2.392 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCC2CS(=O)(=O)C2)cc1 ZINC000682498722 653215713 /nfs/dbraw/zinc/21/57/13/653215713.db2.gz OPJKETBADMSTOH-ZWKOTPCHSA-N 1 0 385.551 2.104 20 0 GEADRO O=S(=O)(CCn1ccnc1)N1CCc2c(F)ccc(Br)c2C1 ZINC000641513133 653216060 /nfs/dbraw/zinc/21/60/60/653216060.db2.gz UNZIXBDWGMGIBP-UHFFFAOYSA-N 1 0 388.262 2.173 20 0 GEADRO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](CCS(N)(=O)=O)C2)n1 ZINC000773956164 653218662 /nfs/dbraw/zinc/21/86/62/653218662.db2.gz OLXFHHZGMNKAKC-CYBMUJFWSA-N 1 0 381.523 2.287 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000682613525 653220221 /nfs/dbraw/zinc/22/02/21/653220221.db2.gz JGLIJBPYDWSLRS-GHMZBOCLSA-N 1 0 379.345 2.337 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCCOC1 ZINC000770696267 653221318 /nfs/dbraw/zinc/22/13/18/653221318.db2.gz FWWUNKXKTCOSDM-GUYCJALGSA-N 1 0 392.279 2.435 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccc(C)cc2Br)CCCOC1 ZINC000770701245 653221677 /nfs/dbraw/zinc/22/16/77/653221677.db2.gz MWJRGYMFSRZOTR-KRWDZBQOSA-N 1 0 399.285 2.398 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CN1c2cccc(Br)c2C(=O)C1=O ZINC000808191549 653221856 /nfs/dbraw/zinc/22/18/56/653221856.db2.gz OESMQMOESBQQKZ-OCCSQVGLSA-N 1 0 392.297 2.495 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@H]1CC1(Cl)Cl ZINC000808232073 653223273 /nfs/dbraw/zinc/22/32/73/653223273.db2.gz UEJCNJIXIBXXMF-CYBMUJFWSA-N 1 0 375.300 2.405 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000770739254 653223326 /nfs/dbraw/zinc/22/33/26/653223326.db2.gz NZMDKBXIXYPCHF-MRVWCRGKSA-N 1 0 375.922 2.109 20 0 GEADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000641623441 653224738 /nfs/dbraw/zinc/22/47/38/653224738.db2.gz KKVDEQZHSGRLPA-DGCLKSJQSA-N 1 0 382.452 2.180 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccnc1Br)[N@@H+]1CCCC[C@H]1C ZINC000774105225 653225106 /nfs/dbraw/zinc/22/51/06/653225106.db2.gz XOIYYNJKSQYRFW-NEPJUHHUSA-N 1 0 383.290 2.162 20 0 GEADRO CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)S(=O)(=O)CCC[NH+](C)C ZINC000641645332 653227451 /nfs/dbraw/zinc/22/74/51/653227451.db2.gz XECDLIQZABOELB-UHFFFAOYSA-N 1 0 378.420 2.295 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000808356461 653228736 /nfs/dbraw/zinc/22/87/36/653228736.db2.gz ZNYUEAAYWPRIAP-NSHDSACASA-N 1 0 378.441 2.150 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(c2ncnc(C(F)(F)F)c2Br)C1 ZINC000641656315 653228926 /nfs/dbraw/zinc/22/89/26/653228926.db2.gz DLVNGEYKEABBPA-GFCCVEGCSA-N 1 0 383.212 2.151 20 0 GEADRO O=C(CCc1ccc(Cl)s1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641668237 653229614 /nfs/dbraw/zinc/22/96/14/653229614.db2.gz ZHDDDVSSSOKIOO-OAHLLOKOSA-N 1 0 385.961 2.247 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccnc1Br ZINC000774224390 653229718 /nfs/dbraw/zinc/22/97/18/653229718.db2.gz VRVOYAZTUUEGNM-VXGBXAGGSA-N 1 0 383.290 2.162 20 0 GEADRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000641748337 653232868 /nfs/dbraw/zinc/23/28/68/653232868.db2.gz QRGHSLLFIOQOSZ-HDOBRADBSA-N 1 0 385.302 2.379 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](CO)CC(F)F ZINC000641761395 653233081 /nfs/dbraw/zinc/23/30/81/653233081.db2.gz HJMGUKKBGAWIDI-JOYOIKCWSA-N 1 0 395.244 2.068 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(Br)sc1Br)Cn1ccnn1 ZINC000641759365 653233116 /nfs/dbraw/zinc/23/31/16/653233116.db2.gz BCWJUKAPUZCORM-MRVPVSSYSA-N 1 0 396.108 2.015 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NCc1cc(Br)c(O)c(OC)c1 ZINC000641771213 653233237 /nfs/dbraw/zinc/23/32/37/653233237.db2.gz DZSGBKBKUNQRGK-CYBMUJFWSA-N 1 0 375.307 2.346 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)nc2Br)C[C@@H]1C ZINC000774311678 653233784 /nfs/dbraw/zinc/23/37/84/653233784.db2.gz JIGGXOTWTKRGKX-QWHCGFSZSA-N 1 0 397.317 2.422 20 0 GEADRO Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641786052 653233895 /nfs/dbraw/zinc/23/38/95/653233895.db2.gz NESCHNMFPKMHQZ-MRXNPFEDSA-N 1 0 387.355 2.462 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)cn1 ZINC000641786427 653233904 /nfs/dbraw/zinc/23/39/04/653233904.db2.gz QJCUYYWKHOEPKR-RDJZCZTQSA-N 1 0 397.361 2.291 20 0 GEADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641787185 653234006 /nfs/dbraw/zinc/23/40/06/653234006.db2.gz QPEQYXPXCMKBAM-QGZVFWFLSA-N 1 0 397.361 2.039 20 0 GEADRO Brc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000641789646 653234317 /nfs/dbraw/zinc/23/43/17/653234317.db2.gz OTTYIZZWNCPSJQ-SFHVURJKSA-N 1 0 382.346 2.335 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000774339074 653235058 /nfs/dbraw/zinc/23/50/58/653235058.db2.gz DBFMKROLSDXWMD-GXTWGEPZSA-N 1 0 395.301 2.034 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000641918720 653236439 /nfs/dbraw/zinc/23/64/39/653236439.db2.gz RAYGLWDSGXABOW-ATCWAGBWSA-N 1 0 375.270 2.216 20 0 GEADRO CC(C)C(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000642102365 653237951 /nfs/dbraw/zinc/23/79/51/653237951.db2.gz QOWAJURDADXFKN-MRXNPFEDSA-N 1 0 399.329 2.425 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](C)[NH+](C)C ZINC000642152781 653238232 /nfs/dbraw/zinc/23/82/32/653238232.db2.gz QRQJEWXZKWSTOX-DOMZBBRYSA-N 1 0 384.318 2.270 20 0 GEADRO Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3c(Br)cnn3C)c2cc1C ZINC000683770305 653240761 /nfs/dbraw/zinc/24/07/61/653240761.db2.gz SOAAKTLJERIHOA-CYBMUJFWSA-N 1 0 392.301 2.300 20 0 GEADRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000684003635 653250173 /nfs/dbraw/zinc/25/01/73/653250173.db2.gz YIKJRDCACBPCLI-KGLIPLIRSA-N 1 0 377.312 2.386 20 0 GEADRO CC(C)(C)OC(=O)N1CCOC[C@H]1C(=[NH2+])NOCc1ncc(Cl)s1 ZINC000774774395 653253846 /nfs/dbraw/zinc/25/38/46/653253846.db2.gz AFWROXCKYLGEOE-VIFPVBQESA-N 1 0 376.866 2.431 20 0 GEADRO CCn1ncc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000874087493 653260511 /nfs/dbraw/zinc/26/05/11/653260511.db2.gz UQWXMDZEBRGMBW-UHFFFAOYSA-N 1 0 392.301 2.455 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000874120798 653265377 /nfs/dbraw/zinc/26/53/77/653265377.db2.gz FMPGIXBXNDNEMS-UHFFFAOYSA-N 1 0 383.290 2.162 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)cn1 ZINC000684555918 653276727 /nfs/dbraw/zinc/27/67/27/653276727.db2.gz OMPREAUQPVJIBP-XMZIXOGTSA-N 1 0 381.274 2.215 20 0 GEADRO COCC[NH+]1CCC(OC(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000857035518 653278559 /nfs/dbraw/zinc/27/85/59/653278559.db2.gz HEWOZEKTUIGTLP-UHFFFAOYSA-N 1 0 386.242 2.445 20 0 GEADRO O=C(OC[C@@H](COC(=O)[C@@H]1CCSC1)[NH+]1CCCCC1)[C@H]1CCSC1 ZINC000857041095 653279238 /nfs/dbraw/zinc/27/92/38/653279238.db2.gz MTWRVUHTKAFTAT-MUJYYYPQSA-N 1 0 387.567 2.434 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(F)cc1Br ZINC000874174003 653279506 /nfs/dbraw/zinc/27/95/06/653279506.db2.gz JMKCGVJQHMKPCT-NHYWBVRUSA-N 1 0 398.276 2.388 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1Br ZINC000874173429 653279534 /nfs/dbraw/zinc/27/95/34/653279534.db2.gz GYWHKSJBYRNVRG-GXTWGEPZSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1Br ZINC000874173431 653279883 /nfs/dbraw/zinc/27/98/83/653279883.db2.gz GYWHKSJBYRNVRG-JSGCOSHPSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874174215 653280708 /nfs/dbraw/zinc/28/07/08/653280708.db2.gz KBAFEWQPGWRANJ-XHDPSFHLSA-N 1 0 398.276 2.388 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000874177102 653281515 /nfs/dbraw/zinc/28/15/15/653281515.db2.gz YGZTZWLFARPLSN-ABAIWWIYSA-N 1 0 398.276 2.388 20 0 GEADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000775150592 653291876 /nfs/dbraw/zinc/29/18/76/653291876.db2.gz JWXROFCGXXRLTD-LSDHHAIUSA-N 1 0 384.307 2.077 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@]2(C)CC2(Cl)Cl)cc1 ZINC000835713810 653293135 /nfs/dbraw/zinc/29/31/35/653293135.db2.gz USHSMUBGVGSKHY-INIZCTEOSA-N 1 0 388.295 2.266 20 0 GEADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000775162805 653295374 /nfs/dbraw/zinc/29/53/74/653295374.db2.gz KUVDJHFUPYDKNQ-IYXRBSQSSA-N 1 0 376.328 2.210 20 0 GEADRO CN1C(=O)CS/C1=C\C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000874252158 653296091 /nfs/dbraw/zinc/29/60/91/653296091.db2.gz FKWTUYUQBFKPDC-PDGQHHTCSA-N 1 0 377.535 2.263 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1cc(Br)ccc1C ZINC000685102946 653295981 /nfs/dbraw/zinc/29/59/81/653295981.db2.gz SDFKZJKELJJYGA-CYBMUJFWSA-N 1 0 384.318 2.220 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000685103327 653297043 /nfs/dbraw/zinc/29/70/43/653297043.db2.gz PODYEKNWUNHSSW-CZUORRHYSA-N 1 0 396.329 2.315 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000874268659 653298943 /nfs/dbraw/zinc/29/89/43/653298943.db2.gz QLPNJVKYOLARTN-SNVBAGLBSA-N 1 0 380.388 2.269 20 0 GEADRO O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775197225 653303425 /nfs/dbraw/zinc/30/34/25/653303425.db2.gz OTWBJCZEOBOMTM-OAHLLOKOSA-N 1 0 384.307 2.209 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000685611437 653309326 /nfs/dbraw/zinc/30/93/26/653309326.db2.gz CIFLBNUAPFOGBN-STQMWFEESA-N 1 0 375.560 2.344 20 0 GEADRO COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775378943 653311869 /nfs/dbraw/zinc/31/18/69/653311869.db2.gz NWPMZBWPXDKNLM-GQGSAGHOSA-N 1 0 385.551 2.413 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000874363504 653312555 /nfs/dbraw/zinc/31/25/55/653312555.db2.gz UNFLCJNOTRJIQB-KGLIPLIRSA-N 1 0 384.249 2.222 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000874365792 653313365 /nfs/dbraw/zinc/31/33/65/653313365.db2.gz DPYUDTMIALIXRA-KBPBESRZSA-N 1 0 384.249 2.222 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000874367471 653314050 /nfs/dbraw/zinc/31/40/50/653314050.db2.gz KZKQMVSUJDVEGA-UONOGXRCSA-N 1 0 384.249 2.222 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000874367472 653314244 /nfs/dbraw/zinc/31/42/44/653314244.db2.gz KZKQMVSUJDVEGA-ZIAGYGMSSA-N 1 0 384.249 2.222 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000685889780 653315847 /nfs/dbraw/zinc/31/58/47/653315847.db2.gz UGDQJBMKLFTUKJ-QWRGUYRKSA-N 1 0 390.347 2.474 20 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O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000876940144 653455608 /nfs/dbraw/zinc/45/56/08/653455608.db2.gz PJSXPYGOYWCNSO-HOCLYGCPSA-N 1 0 384.293 2.041 20 0 GEADRO COC[C@@]1(C(=O)Nc2cc(Cl)c(Br)cc2C)C[NH2+]CCO1 ZINC000876962684 653456891 /nfs/dbraw/zinc/45/68/91/653456891.db2.gz TYGDTPKNVNLWTN-CQSZACIVSA-N 1 0 377.666 2.354 20 0 GEADRO O=C(COC(=O)c1ccc(Br)c(O)c1)NC1CC[NH+](C2CC2)CC1 ZINC000778826922 653458189 /nfs/dbraw/zinc/45/81/89/653458189.db2.gz NRCVFIZBYHWORH-UHFFFAOYSA-N 1 0 397.269 2.055 20 0 GEADRO O=S1(=O)CCC(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000877007357 653459359 /nfs/dbraw/zinc/45/93/59/653459359.db2.gz MUBYSOGUXOCXSY-OAHLLOKOSA-N 1 0 387.343 2.442 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@H]1CCCN1CC(F)F)c1cccc(Br)c1 ZINC000877005376 653459501 /nfs/dbraw/zinc/45/95/01/653459501.db2.gz DNCYDDKXVCPSGP-TZMCWYRMSA-N 1 0 376.245 2.295 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000877018559 653460242 /nfs/dbraw/zinc/46/02/42/653460242.db2.gz XNXSFVZDNORKOL-BXKDBHETSA-N 1 0 398.834 2.343 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000877047873 653463314 /nfs/dbraw/zinc/46/33/14/653463314.db2.gz GDHRCMZGKMGFOD-OLZOCXBDSA-N 1 0 387.933 2.241 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(C)(C)C[NH+](CC)CC ZINC000813150992 653464729 /nfs/dbraw/zinc/46/47/29/653464729.db2.gz SGGRAILTEDOLKO-INIZCTEOSA-N 1 0 376.563 2.492 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000877096388 653465973 /nfs/dbraw/zinc/46/59/73/653465973.db2.gz FNDOXBBMOSDNTL-SNVBAGLBSA-N 1 0 380.539 2.315 20 0 GEADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779130754 653467533 /nfs/dbraw/zinc/46/75/33/653467533.db2.gz ZYDVOXQZEIFALT-KBPBESRZSA-N 1 0 375.535 2.117 20 0 GEADRO [NH3+][C@H]1CCCCCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000877127201 653467797 /nfs/dbraw/zinc/46/77/97/653467797.db2.gz BKJHPZYSRSMRRP-LBPRGKRZSA-N 1 0 378.274 2.373 20 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OKHAQMNECVFCBW-JTQLQIEISA-N 1 0 384.303 2.265 20 0 GEADRO C[S@@](=O)C1(C(=O)NCC2(c3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC000877306347 653475539 /nfs/dbraw/zinc/47/55/39/653475539.db2.gz OIJAHTRMVOWJTK-HSZRJFAPSA-N 1 0 399.354 2.098 20 0 GEADRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(C(=O)OC)c(Br)c1 ZINC000877325426 653475992 /nfs/dbraw/zinc/47/59/92/653475992.db2.gz HWSLMUWZUKEJBY-INIZCTEOSA-N 1 0 388.258 2.294 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877333676 653477103 /nfs/dbraw/zinc/47/71/03/653477103.db2.gz ABLNQKMYZCZTNU-BBRMVZONSA-N 1 0 397.313 2.491 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Br ZINC000877355799 653478158 /nfs/dbraw/zinc/47/81/58/653478158.db2.gz CIIHHUSNYXDKFN-IONNQARKSA-N 1 0 382.180 2.067 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877361422 653478394 /nfs/dbraw/zinc/47/83/94/653478394.db2.gz TUIZDZLJEPVQKO-LDYMZIIASA-N 1 0 395.223 2.119 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1C(F)(F)F ZINC000877365105 653478985 /nfs/dbraw/zinc/47/89/85/653478985.db2.gz OOSOSNADXFGUJD-JGVFFNPUSA-N 1 0 381.196 2.259 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000877362949 653479131 /nfs/dbraw/zinc/47/91/31/653479131.db2.gz LRYJZYLFOMGOGU-GXSJLCMTSA-N 1 0 379.176 2.227 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000877367030 653479631 /nfs/dbraw/zinc/47/96/31/653479631.db2.gz MLTCAEBDAMEDRT-NXEZZACHSA-N 1 0 398.212 2.319 20 0 GEADRO Cc1c(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)nnn1-c1cccc(Br)c1 ZINC000877393328 653498491 /nfs/dbraw/zinc/49/84/91/653498491.db2.gz PNSDFNUGZNORFH-PBHICJAKSA-N 1 0 390.285 2.353 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccc(Br)cc1 ZINC000877399888 653500181 /nfs/dbraw/zinc/50/01/81/653500181.db2.gz VDTAFFWXYHXDHZ-RYRKJORJSA-N 1 0 394.313 2.417 20 0 GEADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000877396580 653503851 /nfs/dbraw/zinc/50/38/51/653503851.db2.gz ZURRVASAMMBNIM-QITLCBANSA-N 1 0 392.297 2.203 20 0 GEADRO CCOP(=O)(CCC[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1)OCC ZINC000877513720 653609726 /nfs/dbraw/zinc/60/97/26/653609726.db2.gz BMNJTHJMUMREJL-OAHLLOKOSA-N 1 0 384.479 2.246 20 0 GEADRO CC[C@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC000877562467 653612462 /nfs/dbraw/zinc/61/24/62/653612462.db2.gz TWYHOWNCETXKJL-CYBMUJFWSA-N 1 0 377.551 2.130 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(Cl)cc1Cl ZINC000813741316 653613785 /nfs/dbraw/zinc/61/37/85/653613785.db2.gz PBSORTDTVJFAAJ-RNCFNFMXSA-N 1 0 393.292 2.105 20 0 GEADRO CCOP(=O)(CCC[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)OCC ZINC000877604995 653613912 /nfs/dbraw/zinc/61/39/12/653613912.db2.gz TVUNKPIEQRKSRN-CQSZACIVSA-N 1 0 391.426 2.467 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1Br ZINC000877621064 653614216 /nfs/dbraw/zinc/61/42/16/653614216.db2.gz NFPUBHGKTDPVTM-GFCCVEGCSA-N 1 0 383.242 2.309 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cn(C(C)(C)C)nc2Br)cn1 ZINC000779904716 653615840 /nfs/dbraw/zinc/61/58/40/653615840.db2.gz KJMDQOOSEMOJIO-UHFFFAOYSA-N 1 0 383.294 2.411 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccc(I)s2)C1 ZINC000877665128 653616182 /nfs/dbraw/zinc/61/61/82/653616182.db2.gz IMJCPYRNBAGDEA-JTQLQIEISA-N 1 0 380.295 2.288 20 0 GEADRO Cc1cc(N2CCC[C@@H]([N@@H+]3C[C@@H]4COC(=O)[C@@H]4C3)C2=O)ccc1Br ZINC000860164124 653620112 /nfs/dbraw/zinc/62/01/12/653620112.db2.gz GNYDUXXKUKRECA-XNRPHZJLSA-N 1 0 393.281 2.358 20 0 GEADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1ccc(Br)nc1 ZINC000780094124 653620528 /nfs/dbraw/zinc/62/05/28/653620528.db2.gz XWJIZNFGBWONQT-UHFFFAOYSA-N 1 0 387.197 2.002 20 0 GEADRO Cn1nc(Cl)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1Cl ZINC000860217370 653621589 /nfs/dbraw/zinc/62/15/89/653621589.db2.gz FGFJJSCQFNXKJN-VXGBXAGGSA-N 1 0 375.300 2.225 20 0 GEADRO C[C@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000877807684 653621777 /nfs/dbraw/zinc/62/17/77/653621777.db2.gz FBCOOLXPNSETJH-HQNOKGKPSA-N 1 0 385.551 2.139 20 0 GEADRO C[NH+](C)CCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC000814099596 653623895 /nfs/dbraw/zinc/62/38/95/653623895.db2.gz DKRMPQJDHIVCLI-HNNXBMFYSA-N 1 0 398.301 2.228 20 0 GEADRO O=C(NCCSCc1ccnc(Cl)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000838548382 653625077 /nfs/dbraw/zinc/62/50/77/653625077.db2.gz QNWWFEQTQQVKTA-OAHLLOKOSA-N 1 0 386.949 2.114 20 0 GEADRO O[C@@H](CN1CC[NH+](CCc2cccs2)CC1)c1cc(Br)no1 ZINC000877992474 653625371 /nfs/dbraw/zinc/62/53/71/653625371.db2.gz LIEYSXJZWMWNLN-ZDUSSCGKSA-N 1 0 386.315 2.392 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000860375284 653625389 /nfs/dbraw/zinc/62/53/89/653625389.db2.gz DDMKGJMRMTZUNV-PBHICJAKSA-N 1 0 377.312 2.482 20 0 GEADRO C[NH+]1CCC(NC(=O)CN2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000877994994 653625584 /nfs/dbraw/zinc/62/55/84/653625584.db2.gz AVTBCMHUCVKEBT-QGZVFWFLSA-N 1 0 396.329 2.033 20 0 GEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2nc(Cl)sc2=O)CC1 ZINC000814247936 653625708 /nfs/dbraw/zinc/62/57/08/653625708.db2.gz CWHJXOLKAPGLPH-UHFFFAOYSA-N 1 0 380.901 2.047 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000780471808 653626274 /nfs/dbraw/zinc/62/62/74/653626274.db2.gz QFFSGOGWXSDJQM-LBPRGKRZSA-N 1 0 387.322 2.241 20 0 GEADRO C[C@@]1(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1(Cl)Cl ZINC000838668737 653627802 /nfs/dbraw/zinc/62/78/02/653627802.db2.gz QCGJRQBZXGBKBA-WBVHZDCISA-N 1 0 386.323 2.289 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000838680449 653628530 /nfs/dbraw/zinc/62/85/30/653628530.db2.gz AXJAPFHYLSWUHL-INIZCTEOSA-N 1 0 393.359 2.156 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)cnc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000860495813 653628606 /nfs/dbraw/zinc/62/86/06/653628606.db2.gz OYLRAJVSVVPZLF-DOMZBBRYSA-N 1 0 399.308 2.081 20 0 GEADRO CC1(C)CC[C@H](C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)OC1 ZINC000878101908 653628883 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Cc1cc(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cnc1Br ZINC000879149732 653660874 /nfs/dbraw/zinc/66/08/74/653660874.db2.gz RJZPJGWRLZXBQW-UHFFFAOYSA-N 1 0 396.333 2.396 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000861541753 653661100 /nfs/dbraw/zinc/66/11/00/653661100.db2.gz HMMIDBZWOHDZJM-SSDOTTSWSA-N 1 0 398.179 2.092 20 0 GEADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)c2ccc(Br)s2)CCCO1 ZINC000839744306 653662046 /nfs/dbraw/zinc/66/20/46/653662046.db2.gz ZFLIACBMXDLARR-NSHDSACASA-N 1 0 389.315 2.310 20 0 GEADRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000815639958 653662536 /nfs/dbraw/zinc/66/25/36/653662536.db2.gz LXUSYLVLGQCCFR-VIFPVBQESA-N 1 0 392.312 2.053 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O)c1ccc([S@](C)=O)cc1 ZINC000782502343 653662959 /nfs/dbraw/zinc/66/29/59/653662959.db2.gz WVSWLZOGRLMFRJ-JJPWZELDSA-N 1 0 379.507 2.262 20 0 GEADRO [NH3+]C1(CNC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000861668907 653664185 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GEADRO O=C(C[C@H]1CSCCS1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000839879048 653668452 /nfs/dbraw/zinc/66/84/52/653668452.db2.gz DOBUERRGICGZPU-KRWDZBQOSA-N 1 0 380.579 2.368 20 0 GEADRO CSc1ccc(/C=C\C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)s1 ZINC000861927753 653671178 /nfs/dbraw/zinc/67/11/78/653671178.db2.gz HOGLNYBGEORPND-JHAQOBCDSA-N 1 0 379.551 2.296 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC000861954911 653671955 /nfs/dbraw/zinc/67/19/55/653671955.db2.gz UJLDALZNVFVGDM-XQRVVYSFSA-N 1 0 382.507 2.348 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(CCS(=O)(=O)c3cccc(Br)c3)CC[C@H]21 ZINC000879572318 653673385 /nfs/dbraw/zinc/67/33/85/653673385.db2.gz GEMOTPDFRLKYMA-CZUORRHYSA-N 1 0 387.343 2.249 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(Cn3c(=O)oc4cccc(Br)c43)[C@H]2C1 ZINC000840083885 653673961 /nfs/dbraw/zinc/67/39/61/653673961.db2.gz MSAKYESZGMSPNZ-UONOGXRCSA-N 1 0 396.285 2.110 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1cn2c(Br)cnc2s1 ZINC000816091090 653674090 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COCC[N@H+](C)CCCNC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841382997 653714494 /nfs/dbraw/zinc/71/44/94/653714494.db2.gz WEOOBJBQYXFWOL-UHFFFAOYSA-N 1 0 397.269 2.254 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817575833 653714759 /nfs/dbraw/zinc/71/47/59/653714759.db2.gz KDSWOYKWCHJWRO-AWEZNQCLSA-N 1 0 387.347 2.110 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576514 653714767 /nfs/dbraw/zinc/71/47/67/653714767.db2.gz SYMCIOAQIYFCDC-AWEZNQCLSA-N 1 0 387.347 2.157 20 0 GEADRO COc1cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cnc1Br ZINC000785816081 653715297 /nfs/dbraw/zinc/71/52/97/653715297.db2.gz MSMOKEVMRJEONJ-LBPRGKRZSA-N 1 0 398.301 2.178 20 0 GEADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000863550472 653715616 /nfs/dbraw/zinc/71/56/16/653715616.db2.gz XINOXNMJXKGKJW-CVEARBPZSA-N 1 0 398.276 2.345 20 0 GEADRO CC1([NH+]2CCCCC2)CCN(C(=O)Nc2csc(S(N)(=O)=O)c2)CC1 ZINC000880931668 653717468 /nfs/dbraw/zinc/71/74/68/653717468.db2.gz MQRPEXUFNXZMNL-UHFFFAOYSA-N 1 0 386.543 2.268 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000841479246 653719175 /nfs/dbraw/zinc/71/91/75/653719175.db2.gz OUFNCSVNFNNTRV-GFCCVEGCSA-N 1 0 387.933 2.161 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000817862629 653721293 /nfs/dbraw/zinc/72/12/93/653721293.db2.gz ZAARPZBFQMCTCB-UHFFFAOYSA-N 1 0 380.695 2.014 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cccc3scnc32)C1 ZINC000841500580 653722195 /nfs/dbraw/zinc/72/21/95/653722195.db2.gz LAYDJTCTFLLBCH-CQSZACIVSA-N 1 0 383.539 2.418 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000817988941 653723325 /nfs/dbraw/zinc/72/33/25/653723325.db2.gz AZSFPUKAQZIBMH-UHFFFAOYSA-N 1 0 396.329 2.444 20 0 GEADRO [NH3+]C[C@H](NC(=O)c1cn(-c2ccccc2Br)nn1)C1CCCC1 ZINC000818001174 653723454 /nfs/dbraw/zinc/72/34/54/653723454.db2.gz GPUDQWGRJHCFEI-ZDUSSCGKSA-N 1 0 378.274 2.277 20 0 GEADRO CN(CC[NH3+])C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000818010035 653723713 /nfs/dbraw/zinc/72/37/13/653723713.db2.gz ABMAMGLYPGNRLB-UHFFFAOYSA-N 1 0 380.242 2.349 20 0 GEADRO C[C@H]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000818007813 653723729 /nfs/dbraw/zinc/72/37/29/653723729.db2.gz AGZSWJBAOCNPES-AAEUAGOBSA-N 1 0 379.917 2.331 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)CC[NH3+])c1 ZINC000818021109 653724016 /nfs/dbraw/zinc/72/40/16/653724016.db2.gz RXHVOCGCUXZKAD-UHFFFAOYSA-N 1 0 375.922 2.226 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@@H]1C[NH3+] ZINC000818021930 653724057 /nfs/dbraw/zinc/72/40/57/653724057.db2.gz PERUSQIBYUTROU-AGIUHOORSA-N 1 0 387.933 2.036 20 0 GEADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881270555 653724076 /nfs/dbraw/zinc/72/40/76/653724076.db2.gz GETJFHFEAUDYFS-UWVGGRQHSA-N 1 0 397.273 2.336 20 0 GEADRO Cn1cc(CN2CCC(C)([NH+]3CCCC3)CC2)c(I)n1 ZINC000864050298 653724635 /nfs/dbraw/zinc/72/46/35/653724635.db2.gz 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ZINC000786843209 653728875 /nfs/dbraw/zinc/72/88/75/653728875.db2.gz GBHXNKDJKFXDAA-AWEZNQCLSA-N 1 0 382.302 2.479 20 0 GEADRO C[C@H](Sc1nc(CC(=O)NC2CCC(C)([NH+](C)C)CC2)cs1)C(N)=O ZINC000881432455 653731126 /nfs/dbraw/zinc/73/11/26/653731126.db2.gz AGENANMIQXHTJP-DLGFLZQMSA-N 1 0 384.571 2.031 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000818502509 653732269 /nfs/dbraw/zinc/73/22/69/653732269.db2.gz UHXBFZHADAARPU-VIFPVBQESA-N 1 0 398.428 2.022 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ncc(Br)cn1 ZINC000786993972 653732644 /nfs/dbraw/zinc/73/26/44/653732644.db2.gz DDIJCZZFQKVLGL-UHFFFAOYSA-N 1 0 379.258 2.149 20 0 GEADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000818558939 653733467 /nfs/dbraw/zinc/73/34/67/653733467.db2.gz VCBFBVRNADRPJI-SNVBAGLBSA-N 1 0 390.433 2.183 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000818582404 653734064 /nfs/dbraw/zinc/73/40/64/653734064.db2.gz NSGPWOFONHHXAZ-CYBMUJFWSA-N 1 0 387.933 2.242 20 0 GEADRO C[C@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CCN1c1cc[nH+]cc1 ZINC000881633552 653734169 /nfs/dbraw/zinc/73/41/69/653734169.db2.gz KFKCWSFCXFSQBT-NSHDSACASA-N 1 0 377.242 2.296 20 0 GEADRO O=C(/C=C/c1ccc(Br)o1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000818594551 653734294 /nfs/dbraw/zinc/73/42/94/653734294.db2.gz QDUGGFRRDZGNMG-FWEMWIAWSA-N 1 0 396.207 2.008 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000818613763 653734833 /nfs/dbraw/zinc/73/48/33/653734833.db2.gz BEXJLCYUQXDZJJ-HNNXBMFYSA-N 1 0 389.949 2.474 20 0 GEADRO CN(Cc1cc(Br)nn1C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000787277076 653736460 /nfs/dbraw/zinc/73/64/60/653736460.db2.gz WCQVUISXAVWMOL-GOSISDBHSA-N 1 0 393.329 2.251 20 0 GEADRO CC[NH+](CC)CCCNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000864440176 653736636 /nfs/dbraw/zinc/73/66/36/653736636.db2.gz DEPFTNUWSAEJPM-MRXNPFEDSA-N 1 0 384.318 2.474 20 0 GEADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)s1 ZINC000818948926 653739003 /nfs/dbraw/zinc/73/90/03/653739003.db2.gz UYOVUUATFJPSSL-CYBMUJFWSA-N 1 0 378.878 2.272 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000818951805 653739180 /nfs/dbraw/zinc/73/91/80/653739180.db2.gz QGZMXUQSPSQYBC-MRXNPFEDSA-N 1 0 390.839 2.220 20 0 GEADRO CC1(C)CN(CC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000818991410 653740133 /nfs/dbraw/zinc/74/01/33/653740133.db2.gz CVRYROVRSCLRFE-HNNXBMFYSA-N 1 0 375.282 2.322 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000818990072 653740157 /nfs/dbraw/zinc/74/01/57/653740157.db2.gz FPANCQXHVCJHQO-HNNXBMFYSA-N 1 0 380.432 2.000 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818989683 653740187 /nfs/dbraw/zinc/74/01/87/653740187.db2.gz BVZVUTCHPKXXHQ-OAHLLOKOSA-N 1 0 381.325 2.288 20 0 GEADRO Brc1nnc2ccc(NC3CC[NH+](Cc4ccccn4)CC3)nn12 ZINC000881818690 653741342 /nfs/dbraw/zinc/74/13/42/653741342.db2.gz QRIOMJGCNLMGRN-UHFFFAOYSA-N 1 0 388.273 2.358 20 0 GEADRO CC[S@@](=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000819047175 653741481 /nfs/dbraw/zinc/74/14/81/653741481.db2.gz KIAISJYBZKSWLT-PRWKNARSSA-N 1 0 384.723 2.200 20 0 GEADRO C[C@@H](C(=O)NCc1cc2cc(Br)ccc2o1)N1CCN(C)CC1 ZINC000881833063 653742058 /nfs/dbraw/zinc/74/20/58/653742058.db2.gz VBGWTTFCTPVEGV-LBPRGKRZSA-N 1 0 380.286 2.447 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(CC[NH3+])cc2)s1 ZINC000841891298 653742362 /nfs/dbraw/zinc/74/23/62/653742362.db2.gz NPTITTFDVPNHIK-UHFFFAOYSA-N 1 0 381.523 2.042 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000864621213 653742430 /nfs/dbraw/zinc/74/24/30/653742430.db2.gz WRJAHKBWPKGYJI-MRXNPFEDSA-N 1 0 380.290 2.329 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000841920892 653742578 /nfs/dbraw/zinc/74/25/78/653742578.db2.gz YWDJVZYMKQQIHB-MRXNPFEDSA-N 1 0 389.327 2.011 20 0 GEADRO CCOC(=O)C(F)(F)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000864643366 653742796 /nfs/dbraw/zinc/74/27/96/653742796.db2.gz FRQBTWZCSMLUES-LLVKDONJSA-N 1 0 375.173 2.201 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000841938933 653742791 /nfs/dbraw/zinc/74/27/91/653742791.db2.gz RGHWPGPMDYNHAT-LLVKDONJSA-N 1 0 384.274 2.035 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)Nc2cc3c(cc2Br)OCCO3)cn1 ZINC000864656655 653742950 /nfs/dbraw/zinc/74/29/50/653742950.db2.gz JYOTZQNKEUONCW-UHFFFAOYSA-N 1 0 395.257 2.231 20 0 GEADRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3cccc(Br)c3)C2=O)n1 ZINC000819112970 653743688 /nfs/dbraw/zinc/74/36/88/653743688.db2.gz KQIJTNFVUGXVIU-HUUCEWRRSA-N 1 0 393.285 2.001 20 0 GEADRO COc1cccc([C@@H](O)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000787766889 653743704 /nfs/dbraw/zinc/74/37/04/653743704.db2.gz XFWDTBNTYRKENM-WBMJQRKESA-N 1 0 381.270 2.331 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000842014746 653743662 /nfs/dbraw/zinc/74/36/62/653743662.db2.gz VWNLCXAIIWUXPX-CLWVCHIJSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@@](O)(C[NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Br)cc1F ZINC000819130752 653744255 /nfs/dbraw/zinc/74/42/55/653744255.db2.gz FEMXHGZJHBEWMD-CQSZACIVSA-N 1 0 394.306 2.210 20 0 GEADRO CC1(C)OC[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000819154311 653744624 /nfs/dbraw/zinc/74/46/24/653744624.db2.gz HJNIJUSVENPJGT-OCCSQVGLSA-N 1 0 378.238 2.069 20 0 GEADRO CCNC(=O)N1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819160991 653744746 /nfs/dbraw/zinc/74/47/46/653744746.db2.gz PDZJDLCIIIZIGP-MLGOLLRUSA-N 1 0 388.281 2.189 20 0 GEADRO C[C@](O)(C[NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(Br)cc1Cl ZINC000819171271 653744944 /nfs/dbraw/zinc/74/49/44/653744944.db2.gz FYZGKKXQAYROPC-FZMZJTMJSA-N 1 0 396.734 2.477 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)c(C)s1 ZINC000819179446 653745333 /nfs/dbraw/zinc/74/53/33/653745333.db2.gz BKDICHUXMJQFMH-OAHLLOKOSA-N 1 0 390.477 2.245 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1cccs1 ZINC000819183258 653745579 /nfs/dbraw/zinc/74/55/79/653745579.db2.gz NCVFRRVSMLWQTG-ZDUSSCGKSA-N 1 0 378.878 2.142 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc(F)cc2F)c(C)s1 ZINC000819180250 653745610 /nfs/dbraw/zinc/74/56/10/653745610.db2.gz PRDKJDMYUONWPG-HNNXBMFYSA-N 1 0 390.477 2.245 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819189863 653745859 /nfs/dbraw/zinc/74/58/59/653745859.db2.gz WRYJKIJZBSDAPQ-CQSZACIVSA-N 1 0 380.279 2.036 20 0 GEADRO C[C@H](C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)S(C)(=O)=O ZINC000819191493 653745860 /nfs/dbraw/zinc/74/58/60/653745860.db2.gz RQXVDWLUAMBBDO-NOZJJQNGSA-N 1 0 384.723 2.333 20 0 GEADRO O=S1(=O)CCC(CC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819199992 653745960 /nfs/dbraw/zinc/74/59/60/653745960.db2.gz QADQMTJGSMKTOI-HNNXBMFYSA-N 1 0 394.306 2.426 20 0 GEADRO CS(=O)(=O)CC[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000819197791 653745976 /nfs/dbraw/zinc/74/59/76/653745976.db2.gz MAYBSGRODQRUID-UHFFFAOYSA-N 1 0 390.221 2.481 20 0 GEADRO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000819197309 653746005 /nfs/dbraw/zinc/74/60/05/653746005.db2.gz IEEIAAJLAVGYGY-MWQQHZPXSA-N 1 0 383.535 2.182 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc21)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000819201064 653746018 /nfs/dbraw/zinc/74/60/18/653746018.db2.gz GJLCYSPVHFYTCD-QWHCGFSZSA-N 1 0 394.269 2.112 20 0 GEADRO O=S1(=O)CCC(CC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819199993 653746024 /nfs/dbraw/zinc/74/60/24/653746024.db2.gz QADQMTJGSMKTOI-OAHLLOKOSA-N 1 0 394.306 2.426 20 0 GEADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000819212191 653746392 /nfs/dbraw/zinc/74/63/92/653746392.db2.gz JOWFFTXZDKPJOT-QGZVFWFLSA-N 1 0 376.469 2.038 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1COC2(CCOCC2)O1)COc1cc(Cl)ccc1Cl ZINC000819216067 653746579 /nfs/dbraw/zinc/74/65/79/653746579.db2.gz QZPIUJISSBFFTC-ZIAGYGMSSA-N 1 0 392.279 2.245 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)c2ccc(F)c(Br)c2)[C@@H](C)C[N@@H+]1CCO ZINC000842161898 653746912 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COCCn1cc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)cn1 ZINC000819290116 653748381 /nfs/dbraw/zinc/74/83/81/653748381.db2.gz ULPULFVIOIIBFK-INIZCTEOSA-N 1 0 386.265 2.428 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C1(S(C)(=O)=O)CC1 ZINC000819304735 653748604 /nfs/dbraw/zinc/74/86/04/653748604.db2.gz JBSYDYANZLBAIN-ZANVPECISA-N 1 0 380.279 2.177 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000819307941 653748845 /nfs/dbraw/zinc/74/88/45/653748845.db2.gz CLQIHVTXUHPMEM-MRXNPFEDSA-N 1 0 386.876 2.389 20 0 GEADRO C[NH+]1CCC(N2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)CC1 ZINC000842234601 653749148 /nfs/dbraw/zinc/74/91/48/653749148.db2.gz HLDHZOUVSHPVPK-OAHLLOKOSA-N 1 0 378.270 2.232 20 0 GEADRO CN1CCN(c2ccc(NC[C@H](O)C[N@H+](C)C3CC3)cc2Br)CC1 ZINC000819474802 653751298 /nfs/dbraw/zinc/75/12/98/653751298.db2.gz DZKASEHZXSZVKF-INIZCTEOSA-N 1 0 397.361 2.068 20 0 GEADRO CCc1nn(C)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000881934072 653751402 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Brc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000819688840 653755958 /nfs/dbraw/zinc/75/59/58/653755958.db2.gz OIGRBBZZJYJCPO-UHFFFAOYSA-N 1 0 375.230 2.193 20 0 GEADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000881998042 653756144 /nfs/dbraw/zinc/75/61/44/653756144.db2.gz AESLZSIYQGHEQO-SNPRPXQTSA-N 1 0 399.384 2.258 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)c(Br)cc1F ZINC000865201726 653757154 /nfs/dbraw/zinc/75/71/54/653757154.db2.gz FJBWZIKIROCHRB-SNVBAGLBSA-N 1 0 376.245 2.093 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000842478783 653757608 /nfs/dbraw/zinc/75/76/08/653757608.db2.gz JXVBZZIKAWOEGF-ZWKOTPCHSA-N 1 0 386.945 2.332 20 0 GEADRO O=C1N[C@@H]2CN(Cc3cc(Cl)nc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000842476623 653757637 /nfs/dbraw/zinc/75/76/37/653757637.db2.gz BVADURZVEAOXFK-ZIAGYGMSSA-N 1 0 384.311 2.109 20 0 GEADRO [NH3+]CCCCCCCN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000842471485 653757645 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[NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CC2)C1 ZINC000842485078 653758466 /nfs/dbraw/zinc/75/84/66/653758466.db2.gz LIRSCQJBXLQYNW-FZMZJTMJSA-N 1 0 394.324 2.295 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000882036339 653758677 /nfs/dbraw/zinc/75/86/77/653758677.db2.gz XANKWGSJBWIVFP-JTQLQIEISA-N 1 0 397.239 2.489 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCCSC(F)(F)F)C1 ZINC000788527442 653758755 /nfs/dbraw/zinc/75/87/55/653758755.db2.gz VLKJYMQOTHFFGT-TXEJJXNPSA-N 1 0 383.480 2.228 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000788545190 653759269 /nfs/dbraw/zinc/75/92/69/653759269.db2.gz HPUAIXVWHXTSNZ-VXGBXAGGSA-N 1 0 381.464 2.125 20 0 GEADRO Cn1c(SCC(=O)NC2CC[NH+](C)CC2)nnc1-c1ccccc1Cl ZINC000865339767 653761466 /nfs/dbraw/zinc/76/14/66/653761466.db2.gz KRDZKQCCNXIJDJ-UHFFFAOYSA-N 1 0 379.917 2.438 20 0 GEADRO CON(C)S(=O)(=O)c1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)ccc1Cl ZINC000842663876 653762180 /nfs/dbraw/zinc/76/21/80/653762180.db2.gz MMEVUJCTYXFRMW-NSHDSACASA-N 1 0 386.861 2.039 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CCCCC1 ZINC000842675425 653762286 /nfs/dbraw/zinc/76/22/86/653762286.db2.gz XWHXEHXFCQJODZ-UHFFFAOYSA-N 1 0 379.404 2.127 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC000842679120 653762729 /nfs/dbraw/zinc/76/27/29/653762729.db2.gz ZHZXNQPFDJMCGT-SNVBAGLBSA-N 1 0 380.919 2.117 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cc(Br)cnc1Cl ZINC000842677014 653762731 /nfs/dbraw/zinc/76/27/31/653762731.db2.gz VYLMWLFWTRUIAP-UHFFFAOYSA-N 1 0 382.711 2.013 20 0 GEADRO COc1cc2[nH+]ccc(NCCS(=O)(=O)C3CC3)c2cc1Br ZINC000819931554 653763048 /nfs/dbraw/zinc/76/30/48/653763048.db2.gz VLJLLFPIADNFSJ-UHFFFAOYSA-N 1 0 385.283 2.417 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000842689766 653763102 /nfs/dbraw/zinc/76/31/02/653763102.db2.gz LQFFEPGMUCGRDM-CABZTGNLSA-N 1 0 395.294 2.487 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1Cl ZINC000842703184 653763689 /nfs/dbraw/zinc/76/36/89/653763689.db2.gz VZRXNKDEDAKRRY-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000842715482 653764179 /nfs/dbraw/zinc/76/41/79/653764179.db2.gz YLNXJOWJKKABHH-UHFFFAOYSA-N 1 0 381.267 2.147 20 0 GEADRO Clc1cncc(Cl)c1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000865411006 653764642 /nfs/dbraw/zinc/76/46/42/653764642.db2.gz PZWJPQFZYKIGOR-UHFFFAOYSA-N 1 0 381.311 2.480 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])ccc1Br ZINC000842737680 653765425 /nfs/dbraw/zinc/76/54/25/653765425.db2.gz RZWKKTDKRAFDDU-UHFFFAOYSA-N 1 0 377.304 2.257 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865476614 653766403 /nfs/dbraw/zinc/76/64/03/653766403.db2.gz PIYLRYDWUSSKFR-LLVKDONJSA-N 1 0 376.320 2.239 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865488175 653766628 /nfs/dbraw/zinc/76/66/28/653766628.db2.gz LXBVZLJSYNMNEQ-GFCCVEGCSA-N 1 0 376.320 2.063 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000865515494 653767135 /nfs/dbraw/zinc/76/71/35/653767135.db2.gz QEKLGRXUEJBWQW-LBPRGKRZSA-N 1 0 396.260 2.426 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000788972445 653767769 /nfs/dbraw/zinc/76/77/69/653767769.db2.gz VVHGCAUYXHVOSU-VVLHAWIVSA-N 1 0 394.313 2.467 20 0 GEADRO CCn1cnc2c1nc(Cl)nc2Sc1nnc([C@H]2CCC[NH2+]C2)n1C ZINC000865544649 653768050 /nfs/dbraw/zinc/76/80/50/653768050.db2.gz ZVSFSQNAERAUTK-VIFPVBQESA-N 1 0 378.893 2.246 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842798946 653768140 /nfs/dbraw/zinc/76/81/40/653768140.db2.gz WTUOSZCWJOYXDO-UHFFFAOYSA-N 1 0 389.315 2.314 20 0 GEADRO COc1ccc(F)cc1CS(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000882205665 653769307 /nfs/dbraw/zinc/76/93/07/653769307.db2.gz HWMDQVKGHGTRRX-UHFFFAOYSA-N 1 0 376.519 2.081 20 0 GEADRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000842816506 653769438 /nfs/dbraw/zinc/76/94/38/653769438.db2.gz SGCFOTQHKZJLOV-UHFFFAOYSA-N 1 0 380.857 2.416 20 0 GEADRO Cn1nc(Br)cc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000820243644 653769753 /nfs/dbraw/zinc/76/97/53/653769753.db2.gz ONBDJQKONYVQOQ-UHFFFAOYSA-N 1 0 392.301 2.333 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000865603560 653769780 /nfs/dbraw/zinc/76/97/80/653769780.db2.gz IXNHKDTURYOJDC-UHFFFAOYSA-N 1 0 377.304 2.157 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)/C=C\c2ccc(Br)cc2)CCC[NH2+]1 ZINC000842860123 653770750 /nfs/dbraw/zinc/77/07/50/653770750.db2.gz ZMBDOCWWDHQRAT-XMELGKRDSA-N 1 0 389.315 2.108 20 0 GEADRO CCCn1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nn1 ZINC000865640436 653770857 /nfs/dbraw/zinc/77/08/57/653770857.db2.gz ICPJFGXHFBOHLV-QGZVFWFLSA-N 1 0 379.302 2.460 20 0 GEADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842876571 653771532 /nfs/dbraw/zinc/77/15/32/653771532.db2.gz UCRGZOLVOXTLAM-RYUDHWBXSA-N 1 0 384.889 2.277 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc21 ZINC000842892517 653772326 /nfs/dbraw/zinc/77/23/26/653772326.db2.gz FYRSRSKXPWZXJX-ZIAGYGMSSA-N 1 0 382.913 2.479 20 0 GEADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000842894991 653772536 /nfs/dbraw/zinc/77/25/36/653772536.db2.gz WOISJBYHJAAGLS-DTWKUNHWSA-N 1 0 384.370 2.392 20 0 GEADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000882257935 653772922 /nfs/dbraw/zinc/77/29/22/653772922.db2.gz TXAWNYSWPXKXBH-CYBMUJFWSA-N 1 0 385.357 2.087 20 0 GEADRO CCS(=O)(=O)c1ccc([C@@H](C)NC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000789390061 653773767 /nfs/dbraw/zinc/77/37/67/653773767.db2.gz YRNNJEYAPNMPSR-CQSZACIVSA-N 1 0 383.583 2.347 20 0 GEADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cnn(C(C)C)c1I ZINC000865799172 653775396 /nfs/dbraw/zinc/77/53/96/653775396.db2.gz KDYZFLVLMTVGCR-LBPRGKRZSA-N 1 0 392.285 2.385 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cc(Br)cnc3C3CC3)C2)CC1 ZINC000820495397 653775519 /nfs/dbraw/zinc/77/55/19/653775519.db2.gz QGBWTXHMILKXGA-UHFFFAOYSA-N 1 0 393.329 2.041 20 0 GEADRO Cc1ccc(OCc2nc(C[NH2+]CC(C)(C)CS(N)(=O)=O)cs2)cc1 ZINC000865813239 653775790 /nfs/dbraw/zinc/77/57/90/653775790.db2.gz LDDSJCZJWBRYRO-UHFFFAOYSA-N 1 0 383.539 2.435 20 0 GEADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865815447 653776003 /nfs/dbraw/zinc/77/60/03/653776003.db2.gz ZESMBJRYKAPLIM-UHFFFAOYSA-N 1 0 388.896 2.378 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865814081 653776103 /nfs/dbraw/zinc/77/61/03/653776103.db2.gz PWVYOCSSYGGRAP-SNVBAGLBSA-N 1 0 381.311 2.424 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000865856931 653777414 /nfs/dbraw/zinc/77/74/14/653777414.db2.gz MDWXASZWPYVREB-XJKSGUPXSA-N 1 0 382.302 2.036 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000843052616 653778281 /nfs/dbraw/zinc/77/82/81/653778281.db2.gz AVXNKLISZOSMLX-UHFFFAOYSA-N 1 0 383.290 2.295 20 0 GEADRO O[C@@H](C[NH2+]CCCN1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000843061737 653778369 /nfs/dbraw/zinc/77/83/69/653778369.db2.gz HSJYMRSWHVQPRE-INIZCTEOSA-N 1 0 375.282 2.058 20 0 GEADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843064053 653778492 /nfs/dbraw/zinc/77/84/92/653778492.db2.gz FSTTXHOEAAZXLT-DOTOQJQBSA-N 1 0 398.276 2.478 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000843095694 653779154 /nfs/dbraw/zinc/77/91/54/653779154.db2.gz VTJLKWUCXSUPTQ-WFASDCNBSA-N 1 0 376.856 2.378 20 0 GEADRO CCC[C@H](O)[C@H](CO)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000843102949 653779517 /nfs/dbraw/zinc/77/95/17/653779517.db2.gz XHUVVXFTLJJTFM-SOUVJXGZSA-N 1 0 380.710 2.422 20 0 GEADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000843110058 653779623 /nfs/dbraw/zinc/77/96/23/653779623.db2.gz AOLBOBZWDRPBAV-WMLDXEAASA-N 1 0 376.856 2.378 20 0 GEADRO [NH3+]CCc1noc(C2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000843130239 653780260 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F[C@@]1(c2nc(-c3cccn4c(I)cnc34)no2)CC[NH2+]C1 ZINC000843223328 653781764 /nfs/dbraw/zinc/78/17/64/653781764.db2.gz AXPLTAZYTSJTGD-ZDUSSCGKSA-N 1 0 399.167 2.147 20 0 GEADRO CC(C)(C[NH3+])c1nc(-c2cccn3c(I)cnc23)no1 ZINC000843224309 653781922 /nfs/dbraw/zinc/78/19/22/653781922.db2.gz NYYBRWHNLHFLPG-UHFFFAOYSA-N 1 0 383.193 2.225 20 0 GEADRO C[C@@]1(c2nc(-c3ccc4ncc(I)n4c3)no2)CC[NH2+]C1 ZINC000843225326 653781937 /nfs/dbraw/zinc/78/19/37/653781937.db2.gz YNYJKFXLRHNHIJ-CQSZACIVSA-N 1 0 395.204 2.240 20 0 GEADRO C[C@@]1(c2nc(-c3cccn4c(I)cnc34)no2)CC[NH2+]C1 ZINC000843225112 653781963 /nfs/dbraw/zinc/78/19/63/653781963.db2.gz XOCQWPXBOYZJFS-CQSZACIVSA-N 1 0 395.204 2.240 20 0 GEADRO COc1nc(Br)ccc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000789878265 653782251 /nfs/dbraw/zinc/78/22/51/653782251.db2.gz OHPUGCCQUUPSIP-UHFFFAOYSA-N 1 0 395.257 2.440 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCCCCCC[NH3+])c1ccc(Br)cc1 ZINC000843265206 653782498 /nfs/dbraw/zinc/78/24/98/653782498.db2.gz RQESJVYCKVNDIJ-UHFFFAOYSA-N 1 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20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1)C(F)(F)F ZINC000866265090 653789506 /nfs/dbraw/zinc/78/95/06/653789506.db2.gz IGOAHAAWGVIPHJ-CABCVRRESA-N 1 0 384.464 2.485 20 0 GEADRO COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000821057418 653789674 /nfs/dbraw/zinc/78/96/74/653789674.db2.gz WLOCYUPGAXXOQX-CYBMUJFWSA-N 1 0 376.831 2.403 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)CCN1c1cc[nH+]cc1 ZINC000882620679 653791052 /nfs/dbraw/zinc/79/10/52/653791052.db2.gz RPBJEWSBEFELIC-LLVKDONJSA-N 1 0 386.271 2.337 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000790597435 653794013 /nfs/dbraw/zinc/79/40/13/653794013.db2.gz ZWRCNSVZSRZGQF-SJORKVTESA-N 1 0 381.314 2.358 20 0 GEADRO CC[N@H+](CCn1cnc(Br)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821380093 653796488 /nfs/dbraw/zinc/79/64/88/653796488.db2.gz NPSWFECVKVXCJN-AWEZNQCLSA-N 1 0 378.274 2.168 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000790762374 653796800 /nfs/dbraw/zinc/79/68/00/653796800.db2.gz PNTFQVCEJLNUAX-HLLBOEOZSA-N 1 0 391.387 2.485 20 0 GEADRO O=S(=O)(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1nc[nH]c1Br ZINC000866463294 653796941 /nfs/dbraw/zinc/79/69/41/653796941.db2.gz BXRGPNLYSPYSOY-CYBMUJFWSA-N 1 0 399.314 2.288 20 0 GEADRO CCOC(=O)c1nc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)ccc1Br ZINC000882677609 653797378 /nfs/dbraw/zinc/79/73/78/653797378.db2.gz YUSNPFMBLRCNSX-NSHDSACASA-N 1 0 386.290 2.278 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1nc[nH]c1Br ZINC000866488246 653798542 /nfs/dbraw/zinc/79/85/42/653798542.db2.gz SVYCSKPXPJVWKF-UHFFFAOYSA-N 1 0 381.340 2.161 20 0 GEADRO C[C@H]1CN(C(=O)c2csc(Br)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000821436329 653798737 /nfs/dbraw/zinc/79/87/37/653798737.db2.gz MEVUFPAEWUPJSZ-WCQYABFASA-N 1 0 387.347 2.004 20 0 GEADRO O=S(=O)(N=S1(=O)CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000866491745 653798828 /nfs/dbraw/zinc/79/88/28/653798828.db2.gz XKYXQUCHVUAIEC-UHFFFAOYSA-N 1 0 377.576 2.081 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC000866518290 653800280 /nfs/dbraw/zinc/80/02/80/653800280.db2.gz WYLLXPTUARMRRU-UBTBCZEISA-N 1 0 385.551 2.184 20 0 GEADRO O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000866521137 653800362 /nfs/dbraw/zinc/80/03/62/653800362.db2.gz HYIDWHACXAYWNW-HLLBOEOZSA-N 1 0 377.535 2.208 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@@H](c3nc(Br)cs3)C3CC3)COCCN12 ZINC000866523492 653800580 /nfs/dbraw/zinc/80/05/80/653800580.db2.gz PYMRQLVRWZCFFV-RISCZKNCSA-N 1 0 388.287 2.168 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000790972454 653801996 /nfs/dbraw/zinc/80/19/96/653801996.db2.gz CDVNFNHBRBEMSK-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844164680 653802893 /nfs/dbraw/zinc/80/28/93/653802893.db2.gz HFTGTDAZTPCRPD-KRWDZBQOSA-N 1 0 380.539 2.418 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000844176610 653802899 /nfs/dbraw/zinc/80/28/99/653802899.db2.gz VMUKBJPGHOLYMZ-PBHICJAKSA-N 1 0 396.329 2.160 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000844195961 653803030 /nfs/dbraw/zinc/80/30/30/653803030.db2.gz DYWNOKVEAWNLTC-GIPNMCIBSA-N 1 0 398.248 2.055 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866579846 653803535 /nfs/dbraw/zinc/80/35/35/653803535.db2.gz ZMTDKJQQCAFRAM-TUAOUCFPSA-N 1 0 391.335 2.198 20 0 GEADRO C[N@H+](CCCCCCNC(=O)OC(C)(C)C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000844330868 653805082 /nfs/dbraw/zinc/80/50/82/653805082.db2.gz DVQULSWKRUJRNW-HNNXBMFYSA-N 1 0 377.551 2.037 20 0 GEADRO Cn1nc(C(F)(F)F)c(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1Cl ZINC000844338462 653805127 /nfs/dbraw/zinc/80/51/27/653805127.db2.gz PLNPKOAAZGTHBK-UHFFFAOYSA-N 1 0 380.842 2.419 20 0 GEADRO OCC1([NH2+]CC2CC2)CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000844335795 653805171 /nfs/dbraw/zinc/80/51/71/653805171.db2.gz RJFMDQJUZNAGOJ-KRWDZBQOSA-N 1 0 383.330 2.309 20 0 GEADRO CC(C)n1ncc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1Br ZINC000866608414 653805865 /nfs/dbraw/zinc/80/58/65/653805865.db2.gz HCTWQUBABVYCOO-CYBMUJFWSA-N 1 0 385.306 2.210 20 0 GEADRO Cc1cc(Br)cnc1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000882814327 653811055 /nfs/dbraw/zinc/81/10/55/653811055.db2.gz JILOYEKIBADLMN-UHFFFAOYSA-N 1 0 381.318 2.463 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)ccc1Br ZINC000894988946 653811284 /nfs/dbraw/zinc/81/12/84/653811284.db2.gz NZTLVHHWZWXTOI-RYUDHWBXSA-N 1 0 389.315 2.109 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)[C@H](C)C1 ZINC000791370795 653811449 /nfs/dbraw/zinc/81/14/49/653811449.db2.gz QHGLHTLQUOHQNY-KOLCDFICSA-N 1 0 393.962 2.160 20 0 GEADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000895015359 653812857 /nfs/dbraw/zinc/81/28/57/653812857.db2.gz FOVJFUNIYCGOJF-NWDGAFQWSA-N 1 0 382.473 2.373 20 0 GEADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000866706482 653813312 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COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000866757282 653820092 /nfs/dbraw/zinc/82/00/92/653820092.db2.gz OWPIOTUZAVTVPL-QWRGUYRKSA-N 1 0 377.304 2.147 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)Cc2c(Br)cccc2OC)CC[C@H]1[NH3+] ZINC000866758099 653820106 /nfs/dbraw/zinc/82/01/06/653820106.db2.gz NERJZWGZPXNEPV-BXUZGUMPSA-N 1 0 391.331 2.347 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000866758319 653820476 /nfs/dbraw/zinc/82/04/76/653820476.db2.gz RYWPZPJWBZKCPH-UHFFFAOYSA-N 1 0 389.315 2.147 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000822237863 653820623 /nfs/dbraw/zinc/82/06/23/653820623.db2.gz KTLXNDRCKVJPSB-BBRMVZONSA-N 1 0 375.296 2.500 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@H]1C1CC1 ZINC000895151272 653820740 /nfs/dbraw/zinc/82/07/40/653820740.db2.gz SKJXRHHLQJCUKZ-QWHCGFSZSA-N 1 0 385.917 2.264 20 0 GEADRO Cc1nc(CONC(=[NH2+])[C@H]2CN(C(C)C)CCO2)sc1Br ZINC000882988026 653820805 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GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000895323218 653827535 /nfs/dbraw/zinc/82/75/35/653827535.db2.gz AWLHMOAGXGZTON-SJORKVTESA-N 1 0 380.286 2.261 20 0 GEADRO CC(C)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@@]1(O)CCCOC1 ZINC000895335347 653828387 /nfs/dbraw/zinc/82/83/87/653828387.db2.gz KSHFOFBLEFJEBC-QGZVFWFLSA-N 1 0 389.949 2.290 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)c1ccsc1 ZINC000883116426 653828715 /nfs/dbraw/zinc/82/87/15/653828715.db2.gz VSCUAJXGFFTSPU-ZJUUUORDSA-N 1 0 375.363 2.209 20 0 GEADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000791912884 653829177 /nfs/dbraw/zinc/82/91/77/653829177.db2.gz ROTDLUMCDINHTN-KRWDZBQOSA-N 1 0 399.329 2.442 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ncc(I)s1 ZINC000883122678 653829616 /nfs/dbraw/zinc/82/96/16/653829616.db2.gz VXSAFWNRWHOPLX-IUCAKERBSA-N 1 0 377.251 2.056 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncc(I)s1 ZINC000883122677 653829653 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/nfs/dbraw/zinc/83/36/41/653833641.db2.gz FGOVZAWVARIZDP-UHFFFAOYSA-N 1 0 396.358 2.385 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866827192 653834054 /nfs/dbraw/zinc/83/40/54/653834054.db2.gz JCDXEZSKAOUFLP-KGLIPLIRSA-N 1 0 381.885 2.412 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866827946 653834404 /nfs/dbraw/zinc/83/44/04/653834404.db2.gz UBQZKXAPMHQGOP-STQMWFEESA-N 1 0 389.315 2.281 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1ccc(F)cc1I ZINC000883296666 653834548 /nfs/dbraw/zinc/83/45/48/653834548.db2.gz TUGRMOBVVRTNOP-GFCCVEGCSA-N 1 0 397.253 2.487 20 0 GEADRO CS(=O)(=O)C1(c2nc(-c3ccc(Br)cc3)no2)CC[NH2+]CC1 ZINC000822650759 653835089 /nfs/dbraw/zinc/83/50/89/653835089.db2.gz XSAPRMBRYWDUJD-UHFFFAOYSA-N 1 0 386.271 2.122 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000883359338 653836995 /nfs/dbraw/zinc/83/69/95/653836995.db2.gz DPBZDBYEJLERAH-KCJUWKMLSA-N 1 0 376.347 2.267 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000883359387 653837022 /nfs/dbraw/zinc/83/70/22/653837022.db2.gz FOHBHPZGKJRILL-CPCISQLKSA-N 1 0 379.322 2.438 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H](C)CCc2ccsc2)c1 ZINC000895486386 653837524 /nfs/dbraw/zinc/83/75/24/653837524.db2.gz CUAPUXVBNAZCSM-CYBMUJFWSA-N 1 0 381.523 2.206 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883373303 653837747 /nfs/dbraw/zinc/83/77/47/653837747.db2.gz JYTZMKFXVLZTMV-LERXQTSPSA-N 1 0 389.315 2.331 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883374639 653837997 /nfs/dbraw/zinc/83/79/97/653837997.db2.gz KCSNCEVLDOEWOL-DKIMLUQUSA-N 1 0 385.551 2.245 20 0 GEADRO COCCn1cc(C[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000883386191 653838265 /nfs/dbraw/zinc/83/82/65/653838265.db2.gz BJWSKPQXWYMLND-MRXNPFEDSA-N 1 0 393.285 2.335 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000792222869 653838270 /nfs/dbraw/zinc/83/82/70/653838270.db2.gz CNOJSMHCZPFJNM-RDJZCZTQSA-N 1 0 395.297 2.122 20 0 GEADRO C[C@@]1(C(=O)N2CC[NH+](CC3CC3)CC2)CC1(Br)Br ZINC000822763283 653839406 /nfs/dbraw/zinc/83/94/06/653839406.db2.gz OHILKKMRSUXQQT-LBPRGKRZSA-N 1 0 380.124 2.437 20 0 GEADRO COc1cc(CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(Br)cc1O ZINC000895527090 653839558 /nfs/dbraw/zinc/83/95/58/653839558.db2.gz BRLUDUWXMYINFX-LBPRGKRZSA-N 1 0 386.290 2.399 20 0 GEADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3nc(Br)ccc3F)CC2)CC1 ZINC000792321854 653839816 /nfs/dbraw/zinc/83/98/16/653839816.db2.gz FWPJCQRTPPMRRG-BETUJISGSA-N 1 0 399.308 2.272 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c(Br)cc1O ZINC000895529184 653839797 /nfs/dbraw/zinc/83/97/97/653839797.db2.gz UGBHXOUGJLINRT-ZWNOBZJWSA-N 1 0 384.274 2.009 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000866862171 653839918 /nfs/dbraw/zinc/83/99/18/653839918.db2.gz CJMTYAULBSUICJ-KWCYVHTRSA-N 1 0 398.301 2.182 20 0 GEADRO C[C@@H]1CN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCN1c1cc[nH+]cc1 ZINC000895556146 653840557 /nfs/dbraw/zinc/84/05/57/653840557.db2.gz FTHKCLWDEYCFDJ-CYBMUJFWSA-N 1 0 380.901 2.093 20 0 GEADRO CC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000883469186 653840680 /nfs/dbraw/zinc/84/06/80/653840680.db2.gz LKMZGIIOWLNXOP-GWCFXTLKSA-N 1 0 382.379 2.176 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000883470631 653840954 /nfs/dbraw/zinc/84/09/54/653840954.db2.gz AUPIBCIDAMYQBL-UHFFFAOYSA-N 1 0 384.807 2.371 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000883470946 653841065 /nfs/dbraw/zinc/84/10/65/653841065.db2.gz NZNFRRLGJKMGDE-UHFFFAOYSA-N 1 0 376.347 2.232 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000883472279 653841234 /nfs/dbraw/zinc/84/12/34/653841234.db2.gz XRZNXHRAWPEKOV-UHFFFAOYSA-N 1 0 379.173 2.100 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000883471951 653841296 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[NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccccc1Br)C2 ZINC000883481225 653842713 /nfs/dbraw/zinc/84/27/13/653842713.db2.gz CDJVYJMWDGYOBR-UHFFFAOYSA-N 1 0 388.312 2.111 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@](C)(CO)c2cccc(Br)c2)C1 ZINC000895604376 653843029 /nfs/dbraw/zinc/84/30/29/653843029.db2.gz YOIYAEUKXWZASM-ISTRZQFTSA-N 1 0 384.318 2.296 20 0 GEADRO O=C(C[NH+]1CCCC1)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000822857541 653843332 /nfs/dbraw/zinc/84/33/32/653843332.db2.gz RRZOLIFMYZXNGM-UHFFFAOYSA-N 1 0 381.274 2.363 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C1 ZINC000866892779 653845080 /nfs/dbraw/zinc/84/50/80/653845080.db2.gz XHQLLSRVTKIKDH-SHACYNPGSA-N 1 0 391.534 2.191 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883567003 653845821 /nfs/dbraw/zinc/84/58/21/653845821.db2.gz MVEQCPFFIHBNRZ-IXDOHACOSA-N 1 0 385.599 2.309 20 0 GEADRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000895702159 653846705 /nfs/dbraw/zinc/84/67/05/653846705.db2.gz ISCNBOFDTHYZQP-QGZVFWFLSA-N 1 0 394.269 2.053 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC1 ZINC000883626622 653848314 /nfs/dbraw/zinc/84/83/14/653848314.db2.gz BCBFZMXDKATTRA-UHFFFAOYSA-N 1 0 398.276 2.207 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)CC1 ZINC000883626932 653848368 /nfs/dbraw/zinc/84/83/68/653848368.db2.gz MPJWHSAIMCYDSD-UHFFFAOYSA-N 1 0 398.301 2.435 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000883628272 653848638 /nfs/dbraw/zinc/84/86/38/653848638.db2.gz HYADPWMPBHLBGE-UHFFFAOYSA-N 1 0 384.274 2.126 20 0 GEADRO O=C(NCc1ncc(Br)cn1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000895805127 653851108 /nfs/dbraw/zinc/85/11/08/653851108.db2.gz PNNORVKDEGKLQB-CYBMUJFWSA-N 1 0 382.306 2.445 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)C[C@H]1CCCOC1 ZINC000792746746 653851595 /nfs/dbraw/zinc/85/15/95/653851595.db2.gz MSTCYJGJWZMIIA-HNNXBMFYSA-N 1 0 376.469 2.085 20 0 GEADRO CCC1([NH+]2CCC2)CCN(Cc2cn(C)nc2I)CC1 ZINC000895823742 653851766 /nfs/dbraw/zinc/85/17/66/653851766.db2.gz ZBQWGOBILGJZCE-UHFFFAOYSA-N 1 0 388.297 2.475 20 0 GEADRO CCn1ncc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1Br ZINC000823063319 653851873 /nfs/dbraw/zinc/85/18/73/653851873.db2.gz QJZVUIDXYHCGPM-AWEZNQCLSA-N 1 0 393.285 2.484 20 0 GEADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895855794 653852767 /nfs/dbraw/zinc/85/27/67/653852767.db2.gz RWZNHDBDYWEBSS-ZFWWWQNUSA-N 1 0 381.270 2.110 20 0 GEADRO COC[C@@]1(c2nc(-c3cc(Br)c(O)c(OC)c3)no2)CC[NH2+]C1 ZINC000823075860 653852880 /nfs/dbraw/zinc/85/28/80/653852880.db2.gz ZEJWJZODRTXQFB-OAHLLOKOSA-N 1 0 384.230 2.091 20 0 GEADRO C[C@@H](c1nc(-c2cccn3c(I)cnc23)no1)[C@H](C)[NH3+] ZINC000823116686 653854485 /nfs/dbraw/zinc/85/44/85/653854485.db2.gz YOLQTMXICDNUTJ-SFYZADRCSA-N 1 0 383.193 2.440 20 0 GEADRO CO[C@@H](C[NH3+])Cc1nc(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000823129162 653854793 /nfs/dbraw/zinc/85/47/93/653854793.db2.gz OGDVOIUKXGAWQO-MWLCHTKSSA-N 1 0 387.267 2.313 20 0 GEADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792906889 653855538 /nfs/dbraw/zinc/85/55/38/653855538.db2.gz OQEKMFDFEXIEIW-PCKNOYNLSA-N 1 0 393.336 2.482 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)([NH+](C)C)C1 ZINC000823147537 653855534 /nfs/dbraw/zinc/85/55/34/653855534.db2.gz TUOGBNBUWBDIHW-SJCJKPOMSA-N 1 0 387.933 2.379 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1I ZINC000895887681 653855655 /nfs/dbraw/zinc/85/56/55/653855655.db2.gz NJSHTENOJHDUOA-JTQLQIEISA-N 1 0 390.269 2.067 20 0 GEADRO NS(=O)(=O)c1ccc(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)s1 ZINC000895908346 653856302 /nfs/dbraw/zinc/85/63/02/653856302.db2.gz IHGGDBKYTXIDIL-SJORKVTESA-N 1 0 380.535 2.354 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000823175570 653856386 /nfs/dbraw/zinc/85/63/86/653856386.db2.gz BXKBLMBCGDEMPJ-CYBMUJFWSA-N 1 0 385.965 2.105 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)c2c(C)[nH]nc2I)CC1 ZINC000895921993 653857083 /nfs/dbraw/zinc/85/70/83/653857083.db2.gz DQYIVRKWENMXBB-UHFFFAOYSA-N 1 0 390.269 2.317 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1cc2cc(Br)ccc2o1 ZINC000883946012 653857249 /nfs/dbraw/zinc/85/72/49/653857249.db2.gz IHVMALPVTABYGZ-ZDUSSCGKSA-N 1 0 382.258 2.061 20 0 GEADRO C[NH+](C)CCN1CCN(c2nccc3ccc(Br)cc32)CC1=O ZINC000845628346 653857347 /nfs/dbraw/zinc/85/73/47/653857347.db2.gz CBBTUYODMRTOMF-UHFFFAOYSA-N 1 0 377.286 2.208 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000866968948 653857693 /nfs/dbraw/zinc/85/76/93/653857693.db2.gz QPFSFXQBFSSYJN-CMJOXMDJSA-N 1 0 379.592 2.325 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)nc1Br ZINC000792965972 653857902 /nfs/dbraw/zinc/85/79/02/653857902.db2.gz KCSPBSSRZUFZQV-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000895946042 653858312 /nfs/dbraw/zinc/85/83/12/653858312.db2.gz WUEDSOVNUVXMBB-LRDDRELGSA-N 1 0 395.297 2.377 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](C)C[NH+]2CCCC2)s1 ZINC000845673072 653858399 /nfs/dbraw/zinc/85/83/99/653858399.db2.gz PHYQXQNETKGZOU-ZFWWWQNUSA-N 1 0 386.539 2.237 20 0 GEADRO O=C1CC[C@@H]([NH+]2CCN(C[C@H](O)c3ccc(Cl)cc3Cl)CC2)CCN1 ZINC000823225390 653858881 /nfs/dbraw/zinc/85/88/81/653858881.db2.gz OXRYZGCZBFEPRL-PBHICJAKSA-N 1 0 386.323 2.313 20 0 GEADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N(C1CC1)C1CC[NH2+]CC1 ZINC000884012639 653860311 /nfs/dbraw/zinc/86/03/11/653860311.db2.gz QAQKZZYBNVUOIY-INIZCTEOSA-N 1 0 393.281 2.274 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884017358 653860681 /nfs/dbraw/zinc/86/06/81/653860681.db2.gz UZUPKHSLLLCLTN-SNVBAGLBSA-N 1 0 398.692 2.494 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884017689 653860735 /nfs/dbraw/zinc/86/07/35/653860735.db2.gz CLHALDRNLCLPKS-VIFPVBQESA-N 1 0 384.665 2.117 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000845738041 653861293 /nfs/dbraw/zinc/86/12/93/653861293.db2.gz LDQNCFWJEZDXQA-ZDUSSCGKSA-N 1 0 381.523 2.405 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@H](CO)Cc1ccccc1)c1ccc(Br)cc1 ZINC000884080113 653862330 /nfs/dbraw/zinc/86/23/30/653862330.db2.gz LKTTWILBTTWZTP-RHSMWYFYSA-N 1 0 377.282 2.416 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@H](CO)Cc1ccccc1)c1ccc(Br)cc1 ZINC000884080112 653862417 /nfs/dbraw/zinc/86/24/17/653862417.db2.gz LKTTWILBTTWZTP-PBHICJAKSA-N 1 0 377.282 2.416 20 0 GEADRO CC(C)C(=O)NC1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884093120 653863064 /nfs/dbraw/zinc/86/30/64/653863064.db2.gz YVEKRCSNSHPSST-OAHLLOKOSA-N 1 0 382.302 2.212 20 0 GEADRO COc1ccc(Br)cc1C(=O)CCc1nc(N2CC[NH2+]CC2)no1 ZINC000823331072 653863444 /nfs/dbraw/zinc/86/34/44/653863444.db2.gz XVAKMKVNSWTIQD-UHFFFAOYSA-N 1 0 395.257 2.066 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)[C@@H](C)C1 ZINC000793047262 653864070 /nfs/dbraw/zinc/86/40/70/653864070.db2.gz UHEKXLBGUSIPNW-STQMWFEESA-N 1 0 397.317 2.280 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC000845813276 653864242 /nfs/dbraw/zinc/86/42/42/653864242.db2.gz AXQQPVQINWLJLI-ILXRZTDVSA-N 1 0 386.539 2.093 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2C[NH2+]CC2(C)C)c(F)cc1F ZINC000884119586 653864554 /nfs/dbraw/zinc/86/45/54/653864554.db2.gz QDGGAAIMOWTANL-SNVBAGLBSA-N 1 0 375.441 2.301 20 0 GEADRO [NH3+][C@@H](C(=O)NCCCNC(=O)c1cccs1)c1ccc(Br)cc1 ZINC000884116347 653864588 /nfs/dbraw/zinc/86/45/88/653864588.db2.gz SMBDQBGTNGAZLW-CQSZACIVSA-N 1 0 396.310 2.447 20 0 GEADRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884143884 653865682 /nfs/dbraw/zinc/86/56/82/653865682.db2.gz UQAXNOGOGZQMBJ-HOTGVXAUSA-N 1 0 380.535 2.219 20 0 GEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1SCCS1 ZINC000823392806 653866758 /nfs/dbraw/zinc/86/67/58/653866758.db2.gz OSALCZKLDHVRCG-GOSISDBHSA-N 1 0 381.567 2.071 20 0 GEADRO Cc1nnc([C@H]2CCCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)C2)[nH]1 ZINC000884233805 653868893 /nfs/dbraw/zinc/86/88/93/653868893.db2.gz ZMCSRZATRRZLTR-GXTWGEPZSA-N 1 0 378.274 2.282 20 0 GEADRO Cc1nnc([C@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)C2)[nH]1 ZINC000884233806 653868963 /nfs/dbraw/zinc/86/89/63/653868963.db2.gz ZMCSRZATRRZLTR-JSGCOSHPSA-N 1 0 378.274 2.282 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884300424 653871362 /nfs/dbraw/zinc/87/13/62/653871362.db2.gz ZTXGUKGDPLTJCP-HIFRSBDPSA-N 1 0 381.270 2.179 20 0 GEADRO COCC[C@@H]([NH3+])C(=O)NCc1cc(Br)ccc1Br ZINC000884310646 653871610 /nfs/dbraw/zinc/87/16/10/653871610.db2.gz DLJDWCQXWXQNPQ-LLVKDONJSA-N 1 0 380.080 2.192 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000884317282 653872076 /nfs/dbraw/zinc/87/20/76/653872076.db2.gz QGQCUJGHMXHHNF-ZBFHGGJFSA-N 1 0 375.270 2.239 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000845955094 653872121 /nfs/dbraw/zinc/87/21/21/653872121.db2.gz FXDQEVGIGIODET-GFCCVEGCSA-N 1 0 391.324 2.351 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000884329087 653872669 /nfs/dbraw/zinc/87/26/69/653872669.db2.gz GAYBXPLXFXRLSD-IKGGRYGDSA-N 1 0 393.281 2.050 20 0 GEADRO C[C@@H](CNC(=O)c1c[nH]nc1I)[N@H+](C)Cc1ccccc1 ZINC000896291806 653873042 /nfs/dbraw/zinc/87/30/42/653873042.db2.gz KFFOVVABPRSZCC-NSHDSACASA-N 1 0 398.248 2.265 20 0 GEADRO CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884417128 653876162 /nfs/dbraw/zinc/87/61/62/653876162.db2.gz YMFPYAISJQVEHP-DZGCQCFKSA-N 1 0 382.302 2.212 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000823687744 653876796 /nfs/dbraw/zinc/87/67/96/653876796.db2.gz TWOKVCLIPGXQLA-GFCCVEGCSA-N 1 0 398.139 2.063 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)NCc2cc(Br)ccc2C)CC1 ZINC000884495806 653878776 /nfs/dbraw/zinc/87/87/76/653878776.db2.gz FIJVFFFRXKIXLD-UHFFFAOYSA-N 1 0 382.302 2.104 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884496493 653879037 /nfs/dbraw/zinc/87/90/37/653879037.db2.gz YCLNTHRSXFUZPK-NNUKFRKNSA-N 1 0 382.302 2.007 20 0 GEADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884522515 653879642 /nfs/dbraw/zinc/87/96/42/653879642.db2.gz AEVQAWNYRCTIBR-KFWWJZLASA-N 1 0 379.913 2.346 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000884515659 653879700 /nfs/dbraw/zinc/87/97/00/653879700.db2.gz PCEOFTGUKVCVDC-HNNXBMFYSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](NC(=O)Cc1c(Cl)cccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896531758 653882349 /nfs/dbraw/zinc/88/23/49/653882349.db2.gz IKQVFJPQFQUJBO-IAQYHMDHSA-N 1 0 388.737 2.396 20 0 GEADRO C[C@H](NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896526843 653882549 /nfs/dbraw/zinc/88/25/49/653882549.db2.gz LPVNFZAZLYUKIE-UHEFJODHSA-N 1 0 394.357 2.477 20 0 GEADRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896537482 653882906 /nfs/dbraw/zinc/88/29/06/653882906.db2.gz ZKPSDLOTQJEMGX-SJWGOKEGSA-N 1 0 380.330 2.303 20 0 GEADRO C[C@@H](NC(=O)C(C)(C)Oc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896534919 653883064 /nfs/dbraw/zinc/88/30/64/653883064.db2.gz XCFFLVISDBCIIM-CJNGLKHVSA-N 1 0 398.345 2.357 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000884660129 653883546 /nfs/dbraw/zinc/88/35/46/653883546.db2.gz LXAAIBAJOMGQIX-NKZPBKNFSA-N 1 0 398.276 2.104 20 0 GEADRO C[C@H](NC(=O)c1cc2c(Br)cccc2cn1)[C@H]1C[N@H+](C)CCN1C ZINC000896538579 653883580 /nfs/dbraw/zinc/88/35/80/653883580.db2.gz FLZTWNHFHGTNFR-YVEFUNNKSA-N 1 0 391.313 2.361 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884667227 653883895 /nfs/dbraw/zinc/88/38/95/653883895.db2.gz CACJDXBNPXGEKL-LLVKDONJSA-N 1 0 394.249 2.013 20 0 GEADRO C[C@H](NC(=O)c1cc(Br)c(F)cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896541855 653884130 /nfs/dbraw/zinc/88/41/30/653884130.db2.gz IPGAEIORPLOPAF-LKFCYVNXSA-N 1 0 376.245 2.091 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(Cn3c(=O)oc4cc(F)c(Br)cc43)C2)C1 ZINC000793746049 653884258 /nfs/dbraw/zinc/88/42/58/653884258.db2.gz PVIBIDHRBXCYBB-MRXNPFEDSA-N 1 0 384.249 2.481 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884686097 653884293 /nfs/dbraw/zinc/88/42/93/653884293.db2.gz XZOYOELRKGHCHZ-GHMZBOCLSA-N 1 0 377.794 2.361 20 0 GEADRO C[C@@H](NC(=O)CCc1ccc(Br)cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896563567 653885923 /nfs/dbraw/zinc/88/59/23/653885923.db2.gz LJPLWEQUSJWUMO-MLGOLLRUSA-N 1 0 386.309 2.271 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000896570470 653885970 /nfs/dbraw/zinc/88/59/70/653885970.db2.gz YWNICOIJSXHIFS-FMKPAKJESA-N 1 0 398.345 2.275 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000824158250 653887148 /nfs/dbraw/zinc/88/71/48/653887148.db2.gz PELLWSKIYNJNRU-UHFFFAOYSA-N 1 0 377.229 2.256 20 0 GEADRO [NH3+]CC1(CCNC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000884750078 653887267 /nfs/dbraw/zinc/88/72/67/653887267.db2.gz AZAOCVHAUHQOAM-UHFFFAOYSA-N 1 0 377.794 2.220 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000867160256 653887610 /nfs/dbraw/zinc/88/76/10/653887610.db2.gz IJIGUMZYHVRXOO-UHFFFAOYSA-N 1 0 384.395 2.191 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)CC[NH+]1CCCCC1 ZINC000846113878 653887740 /nfs/dbraw/zinc/88/77/40/653887740.db2.gz BQOMENXSUSMSTC-OAHLLOKOSA-N 1 0 388.965 2.122 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000896626392 653888378 /nfs/dbraw/zinc/88/83/78/653888378.db2.gz SVPNCIVNBLIPKB-MRXNPFEDSA-N 1 0 395.297 2.331 20 0 GEADRO CO[C@]1(C[NH2+]Cc2cc(Cl)cc(Br)c2)CCS(=O)(=O)C1 ZINC000896683028 653890860 /nfs/dbraw/zinc/89/08/60/653890860.db2.gz LKOAGVSVMYTDMR-ZDUSSCGKSA-N 1 0 382.707 2.396 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)[C@H]1Sc1ccccc1 ZINC000896682553 653890885 /nfs/dbraw/zinc/89/08/85/653890885.db2.gz MCLKOAKFZHZUDD-TVFCKZIOSA-N 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653892237 /nfs/dbraw/zinc/89/22/37/653892237.db2.gz NLLHMFTUIJBPBV-UHFFFAOYSA-N 1 0 382.306 2.445 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCc2c(Cl)ccc(Br)c2C1 ZINC000884875036 653892189 /nfs/dbraw/zinc/89/21/89/653892189.db2.gz NMXGGOYGHXVMHO-MGPLVRAMSA-N 1 0 387.705 2.442 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)/C=C\c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000846230823 653892222 /nfs/dbraw/zinc/89/22/22/653892222.db2.gz BQPQQZIDLAGJBB-ONHQGNBLSA-N 1 0 389.315 2.045 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)/C=C\c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000846232626 653892471 /nfs/dbraw/zinc/89/24/71/653892471.db2.gz UWKUSATZCZNGHH-CEKUCVKPSA-N 1 0 389.315 2.045 20 0 GEADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1cc2nc(Cl)ncc2s1 ZINC000867198296 653892566 /nfs/dbraw/zinc/89/25/66/653892566.db2.gz UXRIGZAEHBWVDJ-UHFFFAOYSA-N 1 0 386.930 2.497 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846248515 653893120 /nfs/dbraw/zinc/89/31/20/653893120.db2.gz WOMRXMLJGKUHAG-MSOLQXFVSA-N 1 0 375.916 2.386 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCc3cc(Br)c(F)cc3C2)C1 ZINC000884924746 653895383 /nfs/dbraw/zinc/89/53/83/653895383.db2.gz JHPOFGGOTVVDJB-KRWDZBQOSA-N 1 0 385.277 2.320 20 0 GEADRO COc1cc(I)ccc1C(=O)N(C)CCC[NH+](C)C ZINC000867223795 653897885 /nfs/dbraw/zinc/89/78/85/653897885.db2.gz VHLLCFLANXSPEQ-UHFFFAOYSA-N 1 0 376.238 2.324 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884954926 653897867 /nfs/dbraw/zinc/89/78/67/653897867.db2.gz LZNNHWCGFYJPDN-OLZOCXBDSA-N 1 0 389.315 2.363 20 0 GEADRO COc1cc(I)ccc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000867230843 653898957 /nfs/dbraw/zinc/89/89/57/653898957.db2.gz XBFXUGMGRDOSTF-UHFFFAOYSA-N 1 0 386.233 2.292 20 0 GEADRO O=C1COc2ccc(C[NH2+]CC3(n4cc(Br)cn4)CC3)cc2N1 ZINC000896911686 653899352 /nfs/dbraw/zinc/89/93/52/653899352.db2.gz INZYXARZWVJVAB-UHFFFAOYSA-N 1 0 377.242 2.255 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000884990523 653903568 /nfs/dbraw/zinc/90/35/68/653903568.db2.gz HPSZTAAGIDHSDP-UHFFFAOYSA-N 1 0 377.819 2.001 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000897015609 653903939 /nfs/dbraw/zinc/90/39/39/653903939.db2.gz JPJWYCJGSVSQQA-JSGCOSHPSA-N 1 0 385.302 2.178 20 0 GEADRO C[C@H]([NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F)C1CCS(=O)(=O)CC1 ZINC000824677619 653905082 /nfs/dbraw/zinc/90/50/82/653905082.db2.gz GVMRNDXJPMUPEP-AAEUAGOBSA-N 1 0 384.489 2.338 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000846649005 653905522 /nfs/dbraw/zinc/90/55/22/653905522.db2.gz BYICCYHRMKZKHW-UHFFFAOYSA-N 1 0 384.274 2.389 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000846650201 653905871 /nfs/dbraw/zinc/90/58/71/653905871.db2.gz SWKOZLDFOOCERP-UHFFFAOYSA-N 1 0 379.258 2.390 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCOc2ccc(Br)cc21 ZINC000846678012 653906182 /nfs/dbraw/zinc/90/61/82/653906182.db2.gz VFGRWNYVUUDNEF-GWCFXTLKSA-N 1 0 375.213 2.429 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C)cnc2Cl)[C@@H](C)C1 ZINC000885014163 653906269 /nfs/dbraw/zinc/90/62/69/653906269.db2.gz AWVAEIBEBZVUNT-GJZGRUSLSA-N 1 0 389.949 2.459 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000867270267 653906523 /nfs/dbraw/zinc/90/65/23/653906523.db2.gz PYVPHTZFABNCOC-HNNXBMFYSA-N 1 0 380.432 2.144 20 0 GEADRO [NH3+]CCC1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC1 ZINC000846696775 653906627 /nfs/dbraw/zinc/90/66/27/653906627.db2.gz WRZWBMIMZXFXNZ-UHFFFAOYSA-N 1 0 385.917 2.081 20 0 GEADRO C[NH2+]C1(CNC(=O)c2cnn(C(C)(C)C)c2I)CCC1 ZINC000897896618 653942746 /nfs/dbraw/zinc/94/27/46/653942746.db2.gz UYJFQRUIRQSZKM-UHFFFAOYSA-N 1 0 390.269 2.115 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(C)cnc2Cl)C1 ZINC000885040801 653908459 /nfs/dbraw/zinc/90/84/59/653908459.db2.gz NJIXCJQPBJVVHK-AWEZNQCLSA-N 1 0 375.922 2.165 20 0 GEADRO CSC1(CNS(=O)(=O)c2cc(Cl)cnc2Cl)CC[NH+](C)CC1 ZINC000867280318 653908488 /nfs/dbraw/zinc/90/84/88/653908488.db2.gz QRFORTSTKDZAJR-UHFFFAOYSA-N 1 0 384.354 2.494 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000897158310 653909268 /nfs/dbraw/zinc/90/92/68/653909268.db2.gz ZKOTZMHUYIGKHI-UHFFFAOYSA-N 1 0 390.269 2.173 20 0 GEADRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000897177337 653909882 /nfs/dbraw/zinc/90/98/82/653909882.db2.gz NMRGOXCMLLHACT-OAHLLOKOSA-N 1 0 395.301 2.245 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccnc2cc(Br)cnc21 ZINC000897218451 653910766 /nfs/dbraw/zinc/91/07/66/653910766.db2.gz CTCITGNMTHVLSG-GJZGRUSLSA-N 1 0 377.286 2.428 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N1CC([NH+]2CCCC2)C1 ZINC000824866120 653910901 /nfs/dbraw/zinc/91/09/01/653910901.db2.gz LEVVZWIOSYKABK-CQSZACIVSA-N 1 0 378.270 2.182 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ncc2scc(Br)c2n1 ZINC000897219783 653911235 /nfs/dbraw/zinc/91/12/35/653911235.db2.gz OFYYHCHDMWJXPU-VXGBXAGGSA-N 1 0 383.315 2.489 20 0 GEADRO COc1sc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1Br ZINC000824896764 653911319 /nfs/dbraw/zinc/91/13/19/653911319.db2.gz AUVSYMBUUREVHI-UHFFFAOYSA-N 1 0 398.344 2.203 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000867299821 653911507 /nfs/dbraw/zinc/91/15/07/653911507.db2.gz ZQMPVVNPKSSSJW-LLVKDONJSA-N 1 0 379.320 2.075 20 0 GEADRO Cn1nc(Br)cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000794565510 653911620 /nfs/dbraw/zinc/91/16/20/653911620.db2.gz KQFFDSYUICLLFO-CYBMUJFWSA-N 1 0 379.258 2.002 20 0 GEADRO CC1(C)CC[N@H+](CCNc2cccc(OC(F)(F)F)c2S(N)(=O)=O)C1 ZINC000897248044 653912672 /nfs/dbraw/zinc/91/26/72/653912672.db2.gz KLIHQKLXIWKNGZ-UHFFFAOYSA-N 1 0 381.420 2.376 20 0 GEADRO C[C@@H](NC(=O)Cn1ccc(Br)cc1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000867310069 653913373 /nfs/dbraw/zinc/91/33/73/653913373.db2.gz WHRVUVGKKWULDN-KGLIPLIRSA-N 1 0 396.329 2.380 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000846946886 653914450 /nfs/dbraw/zinc/91/44/50/653914450.db2.gz WDTRIZVRYMYXAW-UHFFFAOYSA-N 1 0 376.469 2.008 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCc2ccc3ccc(Br)cc3c2)C1 ZINC000885175607 653915302 /nfs/dbraw/zinc/91/53/02/653915302.db2.gz JLQWIDZAXDWVQU-CYBMUJFWSA-N 1 0 390.281 2.026 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000897348228 653917285 /nfs/dbraw/zinc/91/72/85/653917285.db2.gz COSJPCDJPOOVGS-ZDUSSCGKSA-N 1 0 378.274 2.183 20 0 GEADRO COc1cc(CNC(=O)c2cc(Br)n[nH]2)ccc1OCC[NH+](C)C ZINC000825143823 653918953 /nfs/dbraw/zinc/91/89/53/653918953.db2.gz JZWRIUBPDYWMMZ-UHFFFAOYSA-N 1 0 397.273 2.051 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(F)(F)F ZINC000825202066 653920939 /nfs/dbraw/zinc/92/09/39/653920939.db2.gz PBDFOCMNZCZFFB-WCQYABFASA-N 1 0 377.794 2.084 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000867375884 653924626 /nfs/dbraw/zinc/92/46/26/653924626.db2.gz MMKKOTVZVQJOIV-UHFFFAOYSA-N 1 0 379.320 2.217 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897524641 653925504 /nfs/dbraw/zinc/92/55/04/653925504.db2.gz AHIKPVCOVNZSHA-BXUZGUMPSA-N 1 0 383.286 2.356 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000897541235 653926076 /nfs/dbraw/zinc/92/60/76/653926076.db2.gz MIBAGQBOTKRYKN-UHFFFAOYSA-N 1 0 396.276 2.475 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CC2(OCCO)CCC(C(F)F)CC2)C1 ZINC000897540824 653926165 /nfs/dbraw/zinc/92/61/65/653926165.db2.gz DJMMAVUYFBPAHK-KRIMKBQASA-N 1 0 383.501 2.135 20 0 GEADRO CO[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1Br ZINC000847409973 653927534 /nfs/dbraw/zinc/92/75/34/653927534.db2.gz XQFVOKFJKJPISW-IOASZLSFSA-N 1 0 383.286 2.116 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(Cl)c(Cl)nc2C)CC1 ZINC000847440105 653929039 /nfs/dbraw/zinc/92/90/39/653929039.db2.gz XGFHMGYSMCOVJP-UHFFFAOYSA-N 1 0 387.311 2.323 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847463313 653929747 /nfs/dbraw/zinc/92/97/47/653929747.db2.gz ILOZORGONDQKLO-CQSZACIVSA-N 1 0 399.308 2.225 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1cscc1Br)[N@H+](C)C1CC1 ZINC000897648880 653931796 /nfs/dbraw/zinc/93/17/96/653931796.db2.gz JTVBTSPNIPGAQP-JTQLQIEISA-N 1 0 388.331 2.068 20 0 GEADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795117907 653932372 /nfs/dbraw/zinc/93/23/72/653932372.db2.gz YGWUYOYVHLVJQF-LLVKDONJSA-N 1 0 389.315 2.442 20 0 GEADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCOc2ccc(Br)cc2C1 ZINC000897689420 653933515 /nfs/dbraw/zinc/93/35/15/653933515.db2.gz FHMHMTIKYPETJI-UHFFFAOYSA-N 1 0 395.297 2.281 20 0 GEADRO O=C(c1cccnc1I)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000825558321 653933603 /nfs/dbraw/zinc/93/36/03/653933603.db2.gz GSLJBSKFEHNEIX-DGCLKSJQSA-N 1 0 385.249 2.290 20 0 GEADRO Cn1cc(CN2CCc3cc(Cl)cc(Br)c3C2)c(=O)n(C)c1=O ZINC000897755293 653936210 /nfs/dbraw/zinc/93/62/10/653936210.db2.gz YLALRASSKFSJNZ-UHFFFAOYSA-N 1 0 398.688 2.058 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1nc(F)ccc1Br ZINC000847598201 653936454 /nfs/dbraw/zinc/93/64/54/653936454.db2.gz AGTZFIXBCUAKNQ-RTXFEEFZSA-N 1 0 386.265 2.307 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000897757800 653936562 /nfs/dbraw/zinc/93/65/62/653936562.db2.gz GZQKUYRRTBXNTC-QWRGUYRKSA-N 1 0 388.253 2.022 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847607955 653937010 /nfs/dbraw/zinc/93/70/10/653937010.db2.gz PQNSLFALRBCFOS-GXTWGEPZSA-N 1 0 395.301 2.224 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cnc1Br ZINC000847607692 653937015 /nfs/dbraw/zinc/93/70/15/653937015.db2.gz MDDHRASRGJJJQI-KGLIPLIRSA-N 1 0 395.301 2.224 20 0 GEADRO C[C@H]1CC2(CC([NH2+]Cc3ccc(S(N)(=O)=O)c(Br)c3)C2)CO1 ZINC000897776737 653937555 /nfs/dbraw/zinc/93/75/55/653937555.db2.gz VQEQIAWYMIHHPP-VLRKGOCCSA-N 1 0 389.315 2.144 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CCSC(C)(C)C2)CC1 ZINC000897795565 653938178 /nfs/dbraw/zinc/93/81/78/653938178.db2.gz QTASYNRLCIKZAO-OAHLLOKOSA-N 1 0 386.587 2.443 20 0 GEADRO C[C@H]1CN(C(=O)c2cnc(F)c(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000847630682 653938445 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CN(C(=O)c1cc(Br)n(C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000825826769 653941617 /nfs/dbraw/zinc/94/16/17/653941617.db2.gz HDLIZWDODADMHC-UHFFFAOYSA-N 1 0 381.274 2.400 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000867504382 653941806 /nfs/dbraw/zinc/94/18/06/653941806.db2.gz QMJUUZUUACYZCJ-NSHDSACASA-N 1 0 379.320 2.217 20 0 GEADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cnc(F)c(Br)c3)CC2)CC1 ZINC000847737262 653943355 /nfs/dbraw/zinc/94/33/55/653943355.db2.gz SRZXJXMELPRJLA-OKILXGFUSA-N 1 0 399.308 2.272 20 0 GEADRO Cn1ncc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1C(F)(F)F ZINC000867517547 653943508 /nfs/dbraw/zinc/94/35/08/653943508.db2.gz RLGFKFVNGIVDNT-LLVKDONJSA-N 1 0 380.436 2.124 20 0 GEADRO Cc1cc(C)c(CC(=O)NCC[NH+]2CCC(O)CC2)c(C)c1Br ZINC000897918821 653944030 /nfs/dbraw/zinc/94/40/30/653944030.db2.gz ILXXMAPVIRJBFI-UHFFFAOYSA-N 1 0 383.330 2.490 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000897946179 653945661 /nfs/dbraw/zinc/94/56/61/653945661.db2.gz NDLPPJYEXQINAQ-GDBMZVCRSA-N 1 0 380.286 2.228 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000897961312 653946067 /nfs/dbraw/zinc/94/60/67/653946067.db2.gz OGJMDRRZQVRLIN-BLLLJJGKSA-N 1 0 395.297 2.379 20 0 GEADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000897978986 653947944 /nfs/dbraw/zinc/94/79/44/653947944.db2.gz VUOVNLLHTHGJDD-VWYCJHECSA-N 1 0 394.191 2.407 20 0 GEADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000897978984 653947975 /nfs/dbraw/zinc/94/79/75/653947975.db2.gz VUOVNLLHTHGJDD-GARJFASQSA-N 1 0 394.191 2.407 20 0 GEADRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1ncc(Br)cc1O)CCO2 ZINC000897998385 653949056 /nfs/dbraw/zinc/94/90/56/653949056.db2.gz STBDFKBDIXRYCQ-HZPDHXFCSA-N 1 0 387.274 2.342 20 0 GEADRO O=C(Nc1nc(-c2cccnc2Cl)ns1)C1C[NH+](C2CCOCC2)C1 ZINC000898041210 653950909 /nfs/dbraw/zinc/95/09/09/653950909.db2.gz UPRDUGOHFYIRCW-UHFFFAOYSA-N 1 0 379.873 2.303 20 0 GEADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCc2cscc2Cl)cc1 ZINC000898040801 653950933 /nfs/dbraw/zinc/95/09/33/653950933.db2.gz KMLXBKIMQOBAHK-UHFFFAOYSA-N 1 0 379.913 2.438 20 0 GEADRO Cc1nc(Br)sc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000826543859 653952864 /nfs/dbraw/zinc/95/28/64/653952864.db2.gz ICUPLXATGCVJPV-NSHDSACASA-N 1 0 376.320 2.397 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000826559213 653953051 /nfs/dbraw/zinc/95/30/51/653953051.db2.gz CPBYXYAQTNUABP-UHFFFAOYSA-N 1 0 380.233 2.176 20 0 GEADRO O=C(c1cc(Br)cnc1C1CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000826563453 653953205 /nfs/dbraw/zinc/95/32/05/653953205.db2.gz FROQPSZPFAZGIB-HNNXBMFYSA-N 1 0 394.313 2.393 20 0 GEADRO C[C@@H](COC(=O)CSCc1cc(=O)n2ccsc2n1)[NH+]1CCCCC1 ZINC000847959743 653953288 /nfs/dbraw/zinc/95/32/88/653953288.db2.gz JIRQCIJLSQNTFI-ZDUSSCGKSA-N 1 0 381.523 2.407 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cnc(F)c(Br)c1 ZINC000847968162 653953327 /nfs/dbraw/zinc/95/33/27/653953327.db2.gz BAFMWYAMIQNLQO-LLVKDONJSA-N 1 0 386.265 2.309 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c(Br)nc3n2CCC3)C1 ZINC000826595816 653954186 /nfs/dbraw/zinc/95/41/86/653954186.db2.gz JSLMVMWBJBNTIQ-CYBMUJFWSA-N 1 0 399.333 2.165 20 0 GEADRO O=C(Cc1cccc(Br)c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898121390 653954446 /nfs/dbraw/zinc/95/44/46/653954446.db2.gz NOYPYOISVCWPLG-UHFFFAOYSA-N 1 0 381.314 2.345 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c(F)cc1Br ZINC000898150257 653955485 /nfs/dbraw/zinc/95/54/85/653955485.db2.gz RSZGMDLEXAZTOZ-NSHDSACASA-N 1 0 397.248 2.461 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000867581536 653955997 /nfs/dbraw/zinc/95/59/97/653955997.db2.gz NYEMBYUTHRDWBL-UHFFFAOYSA-N 1 0 390.933 2.328 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C(F)(F)F)n1 ZINC000898163015 653956626 /nfs/dbraw/zinc/95/66/26/653956626.db2.gz PLFJBNXAMXZWKQ-XUJVJEKNSA-N 1 0 377.432 2.002 20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cncc(Br)c1 ZINC000885845537 653959321 /nfs/dbraw/zinc/95/93/21/653959321.db2.gz LZYIVNUBTCTUBM-GFCCVEGCSA-N 1 0 397.298 2.139 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC[NH2+]1 ZINC000826764764 653959772 /nfs/dbraw/zinc/95/97/72/653959772.db2.gz XDTWCPOMDLFJHF-JSGCOSHPSA-N 1 0 380.286 2.331 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1Br ZINC000885870128 653960849 /nfs/dbraw/zinc/96/08/49/653960849.db2.gz YNYDHCLYSYUUFK-GFCCVEGCSA-N 1 0 385.306 2.279 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1COc2ccc(Br)cc21 ZINC000885876429 653961067 /nfs/dbraw/zinc/96/10/67/653961067.db2.gz QVIGIDNELHGWIZ-GOEBONIOSA-N 1 0 395.297 2.295 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cnc(Cl)c(Br)c1 ZINC000885886259 653962114 /nfs/dbraw/zinc/96/21/14/653962114.db2.gz UJWLQWARDZJFHT-GFCCVEGCSA-N 1 0 388.693 2.481 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cn2ccnc12 ZINC000885892682 653962218 /nfs/dbraw/zinc/96/22/18/653962218.db2.gz AOJMYVYRBDDREK-CQSZACIVSA-N 1 0 393.285 2.080 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1c(Br)nc2n1CCC2 ZINC000826838303 653962856 /nfs/dbraw/zinc/96/28/56/653962856.db2.gz XZRCCXKSBGVPBK-UHFFFAOYSA-N 1 0 381.274 2.389 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898328134 653963588 /nfs/dbraw/zinc/96/35/88/653963588.db2.gz GRBQNDYVLMNZEE-NSHDSACASA-N 1 0 384.249 2.461 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1nc(Br)nc1Br ZINC000795707914 653963677 /nfs/dbraw/zinc/96/36/77/653963677.db2.gz QJJISZUBLWGMJY-ZJUUUORDSA-N 1 0 393.127 2.319 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1nc(Br)nc1Br ZINC000795707911 653963829 /nfs/dbraw/zinc/96/38/29/653963829.db2.gz QJJISZUBLWGMJY-VHSXEESVSA-N 1 0 393.127 2.319 20 0 GEADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cccnc3Br)C2)c1Cl ZINC000898370662 653965253 /nfs/dbraw/zinc/96/52/53/653965253.db2.gz AFRQXXSLXCSYLN-JTQLQIEISA-N 1 0 384.665 2.362 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795759462 653965495 /nfs/dbraw/zinc/96/54/95/653965495.db2.gz MCHIZGKMAFGNSP-SNVBAGLBSA-N 1 0 378.853 2.028 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)N(CC)CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795783669 653966091 /nfs/dbraw/zinc/96/60/91/653966091.db2.gz IMSAYQGOHFGUKV-CQSZACIVSA-N 1 0 375.922 2.157 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1Br ZINC000867640109 653966398 /nfs/dbraw/zinc/96/63/98/653966398.db2.gz RHTMVGMZJPTABE-LBPRGKRZSA-N 1 0 387.322 2.144 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)NCCC1SCCS1)[NH+]1CCC(C)CC1 ZINC000826947003 653967319 /nfs/dbraw/zinc/96/73/19/653967319.db2.gz MURCBZLMCCVVNP-OAHLLOKOSA-N 1 0 387.615 2.172 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(F)cc1Cl ZINC000795819535 653968258 /nfs/dbraw/zinc/96/82/58/653968258.db2.gz PLAQREXJRFOOJH-SECBINFHSA-N 1 0 378.853 2.027 20 0 GEADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000867651846 653968573 /nfs/dbraw/zinc/96/85/73/653968573.db2.gz HPJJXXYAELNOGQ-XMMPIXPASA-N 1 0 387.571 2.488 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(F)cc1Cl ZINC000795838372 653969532 /nfs/dbraw/zinc/96/95/32/653969532.db2.gz NONGWMKHTGGMNR-LLVKDONJSA-N 1 0 392.880 2.228 20 0 GEADRO CC(C)n1ncc(C(=O)NCC2([NH+](C)C)CCC2)c1I ZINC000867659328 653969802 /nfs/dbraw/zinc/96/98/02/653969802.db2.gz XSVFTBNWJRINBL-UHFFFAOYSA-N 1 0 390.269 2.283 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1Cl ZINC000795862569 653972390 /nfs/dbraw/zinc/97/23/90/653972390.db2.gz XDUHBQZFTKVADP-WDEREUQCSA-N 1 0 392.880 2.369 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1cc(O)cc(Cl)c1)CCS2(=O)=O ZINC000898481778 653972591 /nfs/dbraw/zinc/97/25/91/653972591.db2.gz PBLFDJWTSZBHAA-TVIZTDCDSA-N 1 0 387.885 2.034 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)CCS2(=O)=O ZINC000898487072 653972865 /nfs/dbraw/zinc/97/28/65/653972865.db2.gz IGKQQHPERYFUIU-TVIZTDCDSA-N 1 0 389.876 2.468 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CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796376998 653996462 /nfs/dbraw/zinc/99/64/62/653996462.db2.gz OQYFMQZBPQUZKB-PWSUYJOCSA-N 1 0 391.324 2.449 20 0 GEADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[NH2+]CC2SCCS2)C1 ZINC000827612959 654000107 /nfs/dbraw/zinc/00/01/07/654000107.db2.gz JIZUKLJNZSOPNX-CYBMUJFWSA-N 1 0 389.587 2.145 20 0 GEADRO [NH2+]=C(NCCCN1CCN(c2ccccc2Cl)CC1)N1CCSCC1 ZINC000849067373 654003577 /nfs/dbraw/zinc/00/35/77/654003577.db2.gz ZMKZBECEVRQHIZ-UHFFFAOYSA-N 1 0 381.977 2.425 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000899202008 654003906 /nfs/dbraw/zinc/00/39/06/654003906.db2.gz SYPQGTIOPKDOMQ-BZUAXINKSA-N 1 0 393.281 2.226 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849094028 654004011 /nfs/dbraw/zinc/00/40/11/654004011.db2.gz UGWIYZRNHVIALI-LBPRGKRZSA-N 1 0 383.290 2.331 20 0 GEADRO CC(C)NS(=O)(=O)NCCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000849104774 654004303 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O=C(Nc1cc(Br)c2ccccc2c1)C(=O)NC1CC[NH2+]CC1 ZINC000886982590 654012323 /nfs/dbraw/zinc/01/23/23/654012323.db2.gz UYHDMBAURITMGE-UHFFFAOYSA-N 1 0 376.254 2.409 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1nc(Br)sc1Cl ZINC000867976456 654012549 /nfs/dbraw/zinc/01/25/49/654012549.db2.gz JOVMPNLDSNCCFH-MRVPVSSYSA-N 1 0 384.727 2.382 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000867980748 654012841 /nfs/dbraw/zinc/01/28/41/654012841.db2.gz XYBYRRCBOJUIKK-VXGBXAGGSA-N 1 0 396.207 2.022 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886986603 654012878 /nfs/dbraw/zinc/01/28/78/654012878.db2.gz IUXNOUWKQPPVIW-KLPPZKSPSA-N 1 0 376.254 2.394 20 0 GEADRO C[C@H](NC(=O)COc1ccc(I)cc1)C1CC[NH2+]CC1 ZINC000868008242 654013740 /nfs/dbraw/zinc/01/37/40/654013740.db2.gz KCZKSJXPXCFIOG-NSHDSACASA-N 1 0 388.249 2.174 20 0 GEADRO COC[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000868024483 654014954 /nfs/dbraw/zinc/01/49/54/654014954.db2.gz 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O=C(c1cc(F)c(Br)cc1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868344173 654031808 /nfs/dbraw/zinc/03/18/08/654031808.db2.gz OERDMLVUETWXAJ-ZJUUUORDSA-N 1 0 375.213 2.008 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)ccc1Br ZINC000849428477 654032489 /nfs/dbraw/zinc/03/24/89/654032489.db2.gz CANRKHCGPAHCCA-SNVBAGLBSA-N 1 0 377.304 2.270 20 0 GEADRO O=C(NCCC1SCCS1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000828357077 654033581 /nfs/dbraw/zinc/03/35/81/654033581.db2.gz VOBITBIITMZQBZ-OAHLLOKOSA-N 1 0 385.599 2.212 20 0 GEADRO [NH3+][C@@H]1CCCN(Cc2cn(CCOc3ccc(Br)cc3)nn2)C1 ZINC000887432403 654034521 /nfs/dbraw/zinc/03/45/21/654034521.db2.gz MKHHZDMGNZDVCG-CQSZACIVSA-N 1 0 380.290 2.043 20 0 GEADRO [NH3+][C@H]1CCCN(Cc2cn(CCOc3ccccc3Br)nn2)C1 ZINC000887444443 654034901 /nfs/dbraw/zinc/03/49/01/654034901.db2.gz HLSJDSRGPVLCHD-ZDUSSCGKSA-N 1 0 380.290 2.043 20 0 GEADRO [NH3+][C@H]1CCCN(Cc2cn(CCOc3cc(F)cc(Br)c3)nn2)C1 ZINC000887449066 654035038 /nfs/dbraw/zinc/03/50/38/654035038.db2.gz NDBZCCJZWZKPGB-AWEZNQCLSA-N 1 0 398.280 2.182 20 0 GEADRO CC1=C(Br)CN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000797544726 654035808 /nfs/dbraw/zinc/03/58/08/654035808.db2.gz ZYCPZBMYJODACA-UHFFFAOYSA-N 1 0 390.241 2.107 20 0 GEADRO CCOC(=O)CS[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(F)(F)F ZINC000828504934 654038363 /nfs/dbraw/zinc/03/83/63/654038363.db2.gz YUUNRUOTMXTPOA-GFCCVEGCSA-N 1 0 382.448 2.206 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(C)=C(Br)C2)CC1=O ZINC000797697579 654038469 /nfs/dbraw/zinc/03/84/69/654038469.db2.gz PHTMQHYZXRHFDE-HUUCEWRRSA-N 1 0 398.345 2.220 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000849453775 654039363 /nfs/dbraw/zinc/03/93/63/654039363.db2.gz BKFLAJNIXFWRLW-OAHLLOKOSA-N 1 0 382.917 2.011 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)ncc3Br)[C@@H]2C1 ZINC000868521055 654041209 /nfs/dbraw/zinc/04/12/09/654041209.db2.gz PRFDFZGRGVPBSW-GZMMTYOYSA-N 1 0 389.091 2.383 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC000899961749 654042898 /nfs/dbraw/zinc/04/28/98/654042898.db2.gz ZGDTXZABQQYGOS-UHFFFAOYSA-N 1 0 380.286 2.250 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849502063 654045815 /nfs/dbraw/zinc/04/58/15/654045815.db2.gz YRFGZJHDFDCXKS-HUUCEWRRSA-N 1 0 395.301 2.470 20 0 GEADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cncc(Br)c2)cn1 ZINC000849569220 654046310 /nfs/dbraw/zinc/04/63/10/654046310.db2.gz SEZBFNZNQYIVTN-CABCVRRESA-N 1 0 378.274 2.252 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000868629269 654046734 /nfs/dbraw/zinc/04/67/34/654046734.db2.gz NPRSDXOTIBHTIR-DZJNRPSUSA-N 1 0 393.325 2.298 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)n1 ZINC000828734628 654048665 /nfs/dbraw/zinc/04/86/65/654048665.db2.gz FKMZXDKDLORYOO-HYVNUMGLSA-N 1 0 389.297 2.275 20 0 GEADRO O=C(c1cc2ncc(Br)cn2n1)N1CC[NH+](C2CCCC2)CC1 ZINC000900119300 654050868 /nfs/dbraw/zinc/05/08/68/654050868.db2.gz NQIQMQBOSJZARF-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000900138454 654051394 /nfs/dbraw/zinc/05/13/94/654051394.db2.gz LUTKJCKFSOXPSI-KPZWWZAWSA-N 1 0 392.297 2.270 20 0 GEADRO CC(C)C[NH+]1CCN(CN2c3cccc(Br)c3C(=O)C2=O)CC1 ZINC000798177473 654052765 /nfs/dbraw/zinc/05/27/65/654052765.db2.gz IITBPJBEWAUXMD-UHFFFAOYSA-N 1 0 380.286 2.210 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Br)ncc3Br)C[C@H]21 ZINC000868731921 654053246 /nfs/dbraw/zinc/05/32/46/654053246.db2.gz MGIPHWLXNWYDET-GDGBQDQQSA-N 1 0 389.091 2.239 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3S(=O)(=O)C(F)(F)F)C[C@]2(C)C1 ZINC000887925661 654058669 /nfs/dbraw/zinc/05/86/69/654058669.db2.gz OYPWPRUKJOBYGI-ABAIWWIYSA-N 1 0 376.400 2.004 20 0 GEADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000798323429 654058862 /nfs/dbraw/zinc/05/88/62/654058862.db2.gz SRZRGYLEQNPWBY-CQSZACIVSA-N 1 0 387.933 2.372 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000798322175 654058958 /nfs/dbraw/zinc/05/89/58/654058958.db2.gz NRSHWIMUAQBVJI-UHFFFAOYSA-N 1 0 387.933 2.181 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000900343753 654059854 /nfs/dbraw/zinc/05/98/54/654059854.db2.gz FZJRVJVHEHWLIE-VXGBXAGGSA-N 1 0 380.290 2.342 20 0 GEADRO C[NH+]1CCC(NC(=S)NCc2cc(Cl)ccc2N2CCOCC2)CC1 ZINC000798372675 654060897 /nfs/dbraw/zinc/06/08/97/654060897.db2.gz MSCJKPZFPREXSA-UHFFFAOYSA-N 1 0 382.961 2.235 20 0 GEADRO C[C@H]1CN(C(=O)C2(n3cc(Br)cn3)CC2)CCN1c1cc[nH+]cc1 ZINC000829214875 654062516 /nfs/dbraw/zinc/06/25/16/654062516.db2.gz JCDVOZXDSUYILR-ZDUSSCGKSA-N 1 0 390.285 2.267 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000900417169 654062898 /nfs/dbraw/zinc/06/28/98/654062898.db2.gz GAKDYFRPKIIQOR-INIZCTEOSA-N 1 0 394.273 2.020 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000900428822 654063187 /nfs/dbraw/zinc/06/31/87/654063187.db2.gz YZWLRXMBNJFMES-LBPRGKRZSA-N 1 0 380.290 2.342 20 0 GEADRO CCN(C(=O)NCCC1CC[NH+](C(C)C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000868944460 654063290 /nfs/dbraw/zinc/06/32/90/654063290.db2.gz WZFNRBQLWOJXFK-INIZCTEOSA-N 1 0 375.579 2.352 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCC(=O)O1 ZINC000868967264 654064973 /nfs/dbraw/zinc/06/49/73/654064973.db2.gz HHPSUWVHPNKJHG-CQSZACIVSA-N 1 0 384.274 2.091 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCc1cn[nH]n1 ZINC000868967705 654064988 /nfs/dbraw/zinc/06/49/88/654064988.db2.gz RQXSACARXLSRMC-UHFFFAOYSA-N 1 0 395.305 2.136 20 0 GEADRO O=C(NCCSCCOc1cccc(Br)c1)[C@]1(F)CC[NH2+]C1 ZINC000829327331 654065089 /nfs/dbraw/zinc/06/50/89/654065089.db2.gz OCWWVKMXTXCGLO-HNNXBMFYSA-N 1 0 391.306 2.379 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000798492114 654066337 /nfs/dbraw/zinc/06/63/37/654066337.db2.gz AFIJBNRYAHWGGS-ARFHVFGLSA-N 1 0 380.501 2.436 20 0 GEADRO COc1ccc(CNC(=O)c2ccnn2CC[NH+](C)C)cc1Br ZINC000900497679 654067099 /nfs/dbraw/zinc/06/70/99/654067099.db2.gz HLNAYBDTTRUAJQ-UHFFFAOYSA-N 1 0 381.274 2.146 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2noc3c2COCC3)nn1)c1ccc(Br)cc1 ZINC000900593840 654071346 /nfs/dbraw/zinc/07/13/46/654071346.db2.gz TVTVDIQQGDXNBN-MRXNPFEDSA-N 1 0 390.241 2.198 20 0 GEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H](O)c1cccc(Br)c1 ZINC000900589597 654071428 /nfs/dbraw/zinc/07/14/28/654071428.db2.gz YEFOANUEBNMPTB-MRXNPFEDSA-N 1 0 397.313 2.244 20 0 GEADRO O=[S@@](CC[NH2+]Cc1cc2c(cc1OC(F)F)OCO2)CC(F)(F)F ZINC000850349073 654072231 /nfs/dbraw/zinc/07/22/31/654072231.db2.gz ZCYRSNKZDXSQML-DEOSSOPVSA-N 1 0 375.315 2.417 20 0 GEADRO O=C(NCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc(Br)cn1 ZINC000850351911 654072657 /nfs/dbraw/zinc/07/26/57/654072657.db2.gz WXHNCXUJYVYBPA-UHFFFAOYSA-N 1 0 392.179 2.106 20 0 GEADRO COc1ccc(N2C[C@H]([NH2+]Cc3cc(Br)nn3C)CC2=O)cc1 ZINC000850359458 654072840 /nfs/dbraw/zinc/07/28/40/654072840.db2.gz 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GEADRO C[C@@H]1[C@H](C(=O)N2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[N@@H+]1C ZINC000890200461 654206461 /nfs/dbraw/zinc/20/64/61/654206461.db2.gz PVQSREGBUKZYRM-RKDXNWHRSA-N 1 0 395.223 2.347 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@@H](CO)Cc1ccccc1)c1cccc(Br)c1 ZINC000870902076 654206601 /nfs/dbraw/zinc/20/66/01/654206601.db2.gz ARHWMXXPRKYHMZ-YOEHRIQHSA-N 1 0 377.282 2.416 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cscc1C(F)F)C2 ZINC000920266480 654206647 /nfs/dbraw/zinc/20/66/47/654206647.db2.gz RVIAFIRHVKPNFC-HLSYRSCKSA-N 1 0 394.509 2.444 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cscc1C(F)F)C2 ZINC000920266483 654207149 /nfs/dbraw/zinc/20/71/49/654207149.db2.gz RVIAFIRHVKPNFC-ZNEHSRBWSA-N 1 0 394.509 2.444 20 0 GEADRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870910012 654207446 /nfs/dbraw/zinc/20/74/46/654207446.db2.gz VGLIJQRROQQJGW-INIZCTEOSA-N 1 0 398.345 2.266 20 0 GEADRO [NH3+][C@H](C(=O)N[C@H](CO)C[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000870928428 654208196 /nfs/dbraw/zinc/20/81/96/654208196.db2.gz GFHGBLAOICVXBQ-ULQDDVLXSA-N 1 0 393.281 2.050 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(Cl)c1F)C2 ZINC000920281587 654208480 /nfs/dbraw/zinc/20/84/80/654208480.db2.gz FEDLDEFMRYFZGP-UTJXIGIESA-N 1 0 390.908 2.237 20 0 GEADRO Cc1cccc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Cl ZINC000920276360 654208667 /nfs/dbraw/zinc/20/86/67/654208667.db2.gz WMXVTBZTMLUWFS-DTDBQYNISA-N 1 0 386.945 2.406 20 0 GEADRO CC(C)[C@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[NH+]1CCC(C)CC1 ZINC000851959780 654208780 /nfs/dbraw/zinc/20/87/80/654208780.db2.gz WPJCDVSZEGOSCZ-SXBQZSJRSA-N 1 0 385.496 2.353 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)c1cnn(C(C)C)c1I ZINC000870938178 654209525 /nfs/dbraw/zinc/20/95/25/654209525.db2.gz ZBKRFIMTTLKSJG-UHFFFAOYSA-N 1 0 378.258 2.316 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)c1cnn(C(C)C)c1I ZINC000870938347 654209597 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C[C@@H]1C[C@@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)CC[N@@H+]1C ZINC000920404092 654211407 /nfs/dbraw/zinc/21/14/07/654211407.db2.gz LGKFHVZNKJEYRN-YPMHNXCESA-N 1 0 382.306 2.400 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCC[S@@](=O)CC(F)(F)F)C1 ZINC000852001732 654211727 /nfs/dbraw/zinc/21/17/27/654211727.db2.gz JRFONTRBQIATHA-FUIYZNBFSA-N 1 0 385.496 2.353 20 0 GEADRO NC(=O)[C@@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000801875493 654211776 /nfs/dbraw/zinc/21/17/76/654211776.db2.gz VJZRLTIJQQHHMZ-HNNXBMFYSA-N 1 0 381.270 2.393 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC([NH2+]C2CCC2)CC1 ZINC000903036189 654212423 /nfs/dbraw/zinc/21/24/23/654212423.db2.gz CMYQCQZNVQQGQK-UHFFFAOYSA-N 1 0 378.274 2.239 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000870946573 654212650 /nfs/dbraw/zinc/21/26/50/654212650.db2.gz SJOJQHAIBDVXHN-MNOVXSKESA-N 1 0 388.249 2.357 20 0 GEADRO NC(=O)[C@](O)(C[N@@H+]1CCc2ccc(Br)cc2C1)c1ccccc1 ZINC000852023479 654213718 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GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986484 654215358 /nfs/dbraw/zinc/21/53/58/654215358.db2.gz KBQJFBCMEYIPHY-UWVGGRQHSA-N 1 0 388.331 2.133 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000903087744 654215933 /nfs/dbraw/zinc/21/59/33/654215933.db2.gz IAMYWWVQBUXBAP-AWEZNQCLSA-N 1 0 394.324 2.173 20 0 GEADRO OC[C@]1(Cc2ccccc2)CCC[N@H+](CCn2cnc(Br)n2)C1 ZINC000852070882 654216458 /nfs/dbraw/zinc/21/64/58/654216458.db2.gz WUTHITQIXQYHCM-KRWDZBQOSA-N 1 0 379.302 2.358 20 0 GEADRO CC[NH+]1CCN(c2nnc(COc3ccccc3Br)n2C)CC1 ZINC000871025499 654216575 /nfs/dbraw/zinc/21/65/75/654216575.db2.gz PSKZVXMHXSUENR-UHFFFAOYSA-N 1 0 380.290 2.299 20 0 GEADRO CCn1cnnc1CC[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903118052 654217633 /nfs/dbraw/zinc/21/76/33/654217633.db2.gz DZMGYJKEKNXICR-LLVKDONJSA-N 1 0 376.404 2.485 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000852142961 654220853 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GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000831993485 654223064 /nfs/dbraw/zinc/22/30/64/654223064.db2.gz SUMKZLGVADTBOS-SECBINFHSA-N 1 0 379.258 2.318 20 0 GEADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[S@@](=O)CC(F)(F)F ZINC000852241502 654227761 /nfs/dbraw/zinc/22/77/61/654227761.db2.gz HOYRPSYIZYIDMJ-YMXBGEKHSA-N 1 0 379.448 2.117 20 0 GEADRO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903221128 654228096 /nfs/dbraw/zinc/22/80/96/654228096.db2.gz PBOLSUCLTLSBGB-NWDGAFQWSA-N 1 0 378.416 2.499 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903225972 654228459 /nfs/dbraw/zinc/22/84/59/654228459.db2.gz JASKXNOIUCBHRB-HZMBPMFUSA-N 1 0 377.388 2.098 20 0 GEADRO Cc1c(Br)cc(C(=O)NC2CCC(C)([NH+](C)C)CC2)c(=O)n1C ZINC000871360473 654228922 /nfs/dbraw/zinc/22/89/22/654228922.db2.gz RVZAIGXOUOCXQV-UHFFFAOYSA-N 1 0 384.318 2.449 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H](C1CC1)C1(CO)CCOCC1)c1ccc(Cl)cc1 ZINC000852284647 654230055 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2.369 20 0 GEADRO O=C1c2cc(Br)ccc2CN1CN1CC[NH+](C2CCOCC2)CC1 ZINC000802734501 654238024 /nfs/dbraw/zinc/23/80/24/654238024.db2.gz MPHVCCGBNAOCJC-UHFFFAOYSA-N 1 0 394.313 2.159 20 0 GEADRO CS(=O)(=O)CCNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000832134374 654238409 /nfs/dbraw/zinc/23/84/09/654238409.db2.gz GXKJUFSKOGQOFB-UHFFFAOYSA-N 1 0 385.555 2.431 20 0 GEADRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000852430908 654238555 /nfs/dbraw/zinc/23/85/55/654238555.db2.gz NLJOGQWJMZUHSD-VXGBXAGGSA-N 1 0 375.252 2.260 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Br)cc1 ZINC000852433373 654239194 /nfs/dbraw/zinc/23/91/94/654239194.db2.gz UQHLSPSLXOOVCQ-CQSZACIVSA-N 1 0 382.258 2.304 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1Br ZINC000852437218 654239938 /nfs/dbraw/zinc/23/99/38/654239938.db2.gz VWFFLKDODAZDRJ-GFCCVEGCSA-N 1 0 382.258 2.304 20 0 GEADRO C[C@](O)(C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)c1ccc(Br)cc1F ZINC000852439596 654240334 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GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903517407 654246388 /nfs/dbraw/zinc/24/63/88/654246388.db2.gz AGHLDFPHAQUHDC-OAHLLOKOSA-N 1 0 391.306 2.494 20 0 GEADRO CO[C@H]1CC[C@@H]([NH+]2CCC(n3nncc3I)CC2)C1 ZINC000852532588 654246491 /nfs/dbraw/zinc/24/64/91/654246491.db2.gz NAGAHGRCMRCVKU-NEPJUHHUSA-N 1 0 376.242 2.087 20 0 GEADRO CO[C@@H]1CC[C@H]([NH+]2CCC(n3nncc3I)CC2)C1 ZINC000852532589 654246696 /nfs/dbraw/zinc/24/66/96/654246696.db2.gz NAGAHGRCMRCVKU-NWDGAFQWSA-N 1 0 376.242 2.087 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1F ZINC000903519186 654247204 /nfs/dbraw/zinc/24/72/04/654247204.db2.gz SHLAXBNZCSXCKX-LLVKDONJSA-N 1 0 393.278 2.017 20 0 GEADRO COc1cc(NC(=O)CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(OC)cc1Cl ZINC000903519312 654247315 /nfs/dbraw/zinc/24/73/15/654247315.db2.gz XKABKZQELNLHOX-PSASIEDQSA-N 1 0 381.782 2.117 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000890896404 654248114 /nfs/dbraw/zinc/24/81/14/654248114.db2.gz OGMYVUIERMUHMM-JTQLQIEISA-N 1 0 378.258 2.029 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1F ZINC000903521708 654248192 /nfs/dbraw/zinc/24/81/92/654248192.db2.gz CYSKGNFZEMVVDY-RKDXNWHRSA-N 1 0 381.267 2.097 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)Cc2cccc(Cl)c2Br)CCOCC1 ZINC000903525118 654249077 /nfs/dbraw/zinc/24/90/77/654249077.db2.gz OYYQEERBDXPULZ-UHFFFAOYSA-N 1 0 397.722 2.030 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1F ZINC000903525005 654249197 /nfs/dbraw/zinc/24/91/97/654249197.db2.gz JFQPFMONGQQJAZ-IUCAKERBSA-N 1 0 381.267 2.016 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)c1F ZINC000903525589 654249523 /nfs/dbraw/zinc/24/95/23/654249523.db2.gz WQVIGGADZVLFER-SNVBAGLBSA-N 1 0 383.283 2.249 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000903525688 654249939 /nfs/dbraw/zinc/24/99/39/654249939.db2.gz OWBWETDHAIHKGA-OCCSQVGLSA-N 1 0 377.279 2.292 20 0 GEADRO CS(=O)(=O)c1ccc(OCCCN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903534331 654250763 /nfs/dbraw/zinc/25/07/63/654250763.db2.gz FOGIEOPWRUBMRP-LSDHHAIUSA-N 1 0 380.432 2.071 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903536053 654251118 /nfs/dbraw/zinc/25/11/18/654251118.db2.gz ADXZFDHPUOQFAD-ABAIWWIYSA-N 1 0 389.315 2.350 20 0 GEADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1ccccc1Br ZINC000871678871 654251171 /nfs/dbraw/zinc/25/11/71/654251171.db2.gz QBCFGNAGIDAHTO-UHFFFAOYSA-N 1 0 388.269 2.328 20 0 GEADRO Cc1csc(-c2ccc(S(=O)(=O)N(C)C3(C[NH3+])CCOCC3)cc2)n1 ZINC000903537909 654251486 /nfs/dbraw/zinc/25/14/86/654251486.db2.gz GVHPDQMRVKHHDK-UHFFFAOYSA-N 1 0 381.523 2.247 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c(C)c1Cl ZINC000903537687 654251526 /nfs/dbraw/zinc/25/15/26/654251526.db2.gz ZBSHPIBBCFEBEQ-BMIGLBTASA-N 1 0 392.930 2.389 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000903545595 654253347 /nfs/dbraw/zinc/25/33/47/654253347.db2.gz WLQGTMJSVVEUOO-ZDUSSCGKSA-N 1 0 379.309 2.430 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)s1 ZINC000903547580 654253736 /nfs/dbraw/zinc/25/37/36/654253736.db2.gz SNZROJCLRXGEFC-OAHLLOKOSA-N 1 0 385.555 2.056 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000903550568 654254482 /nfs/dbraw/zinc/25/44/82/654254482.db2.gz JMUSUQAVOYNPOK-CZUORRHYSA-N 1 0 397.294 2.361 20 0 GEADRO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CC[NH2+]CCC12CCOCC2 ZINC000903549940 654254568 /nfs/dbraw/zinc/25/45/68/654254568.db2.gz UKEWHKUEBQHYGL-UHFFFAOYSA-N 1 0 384.445 2.300 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903552914 654254803 /nfs/dbraw/zinc/25/48/03/654254803.db2.gz NYRXTYXQUIMRFI-VXGBXAGGSA-N 1 0 382.507 2.293 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903552929 654254922 /nfs/dbraw/zinc/25/49/22/654254922.db2.gz WTXNXBNCYWCDHB-VXGBXAGGSA-N 1 0 391.331 2.453 20 0 GEADRO O=C1OCCN1C1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000852723927 654255245 /nfs/dbraw/zinc/25/52/45/654255245.db2.gz KXRCOWHCYJOLSR-OAHLLOKOSA-N 1 0 399.285 2.105 20 0 GEADRO O[C@H](CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(F)c(Br)c1 ZINC000852708000 654255397 /nfs/dbraw/zinc/25/53/97/654255397.db2.gz NXURVCCIPNAHMU-RHSMWYFYSA-N 1 0 387.293 2.153 20 0 GEADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1ccc(F)c(Br)c1 ZINC000903557635 654255781 /nfs/dbraw/zinc/25/57/81/654255781.db2.gz ZCZKZKZEMKVPCJ-UHFFFAOYSA-N 1 0 377.279 2.399 20 0 GEADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903560974 654256077 /nfs/dbraw/zinc/25/60/77/654256077.db2.gz MFUUYZVFTXZLPS-CYZMBNFOSA-N 1 0 379.707 2.415 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562186 654256677 /nfs/dbraw/zinc/25/66/77/654256677.db2.gz GKYZNTPSUZIHCW-OKILXGFUSA-N 1 0 387.908 2.068 20 0 GEADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000832299170 654257931 /nfs/dbraw/zinc/25/79/31/654257931.db2.gz XWTIESGGBQFPLK-UHFFFAOYSA-N 1 0 396.962 2.142 20 0 GEADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903573052 654258714 /nfs/dbraw/zinc/25/87/14/654258714.db2.gz OJWZYKMANUWVLM-RNFRBKRXSA-N 1 0 393.250 2.329 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000921389339 654258729 /nfs/dbraw/zinc/25/87/29/654258729.db2.gz JNANDIGBHINXSE-CQSZACIVSA-N 1 0 376.320 2.263 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000903573005 654258886 /nfs/dbraw/zinc/25/88/86/654258886.db2.gz LQDCJVMVKIZFHP-GHMZBOCLSA-N 1 0 392.321 2.236 20 0 GEADRO C[C@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1cccc(NS(C)(=O)=O)c1 ZINC000852785803 654260221 /nfs/dbraw/zinc/26/02/21/654260221.db2.gz HFBPRSHUVQMYDA-NSHDSACASA-N 1 0 379.507 2.256 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000852772376 654260411 /nfs/dbraw/zinc/26/04/11/654260411.db2.gz MFVJIGCACCYONP-HNNXBMFYSA-N 1 0 380.286 2.344 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3=O)CC[C@@H]1C(F)(F)F ZINC000903577982 654260487 /nfs/dbraw/zinc/26/04/87/654260487.db2.gz AFULLYHCZDZPHY-KBPBESRZSA-N 1 0 376.400 2.106 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000832354153 654261172 /nfs/dbraw/zinc/26/11/72/654261172.db2.gz SMJLIRZSZGWGQJ-LBPRGKRZSA-N 1 0 384.311 2.397 20 0 GEADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871806207 654261211 /nfs/dbraw/zinc/26/12/11/654261211.db2.gz YSFCLTHYOSOONA-GFCCVEGCSA-N 1 0 399.822 2.125 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000903579709 654261424 /nfs/dbraw/zinc/26/14/24/654261424.db2.gz PEFPHBMRIOIKBY-BDAKNGLRSA-N 1 0 392.321 2.485 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c2ccccc2n1C ZINC000903580836 654261668 /nfs/dbraw/zinc/26/16/68/654261668.db2.gz YEMLIZHYCNXSFN-OLZOCXBDSA-N 1 0 375.416 2.387 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c2ccccc2n1C ZINC000903580835 654261724 /nfs/dbraw/zinc/26/17/24/654261724.db2.gz YEMLIZHYCNXSFN-CHWSQXEVSA-N 1 0 375.416 2.387 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871810123 654261916 /nfs/dbraw/zinc/26/19/16/654261916.db2.gz IVBAYQYRLZFILR-CQSZACIVSA-N 1 0 376.881 2.057 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC[C@H]1C(F)(F)F ZINC000903581678 654262038 /nfs/dbraw/zinc/26/20/38/654262038.db2.gz RZFUNGRSUJRXBW-ZJUUUORDSA-N 1 0 383.779 2.381 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000871810625 654262487 /nfs/dbraw/zinc/26/24/87/654262487.db2.gz IWINPPRGVWZBKT-GZMMTYOYSA-N 1 0 387.221 2.207 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000871810957 654262490 /nfs/dbraw/zinc/26/24/90/654262490.db2.gz LSVKHWLPEOINJU-LDYMZIIASA-N 1 0 392.321 2.343 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000871810954 654262535 /nfs/dbraw/zinc/26/25/35/654262535.db2.gz LSVKHWLPEOINJU-GZMMTYOYSA-N 1 0 392.321 2.343 20 0 GEADRO CC[NH2+]CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000832378759 654262697 /nfs/dbraw/zinc/26/26/97/654262697.db2.gz VINKPNCVIQIISJ-UHFFFAOYSA-N 1 0 375.922 2.146 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]2c2ccccc2I)=NO1 ZINC000852840767 654262710 /nfs/dbraw/zinc/26/27/10/654262710.db2.gz SPYIDNCGFHJRNK-HZMBPMFUSA-N 1 0 399.232 2.058 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000852836338 654262781 /nfs/dbraw/zinc/26/27/81/654262781.db2.gz USISFTDUPIHUHA-UHFFFAOYSA-N 1 0 392.244 2.366 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000852841403 654263374 /nfs/dbraw/zinc/26/33/74/654263374.db2.gz JQFXYEPVGXBZMP-UHFFFAOYSA-N 1 0 394.324 2.243 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)C[C@@H]1C(F)(F)F ZINC000871813490 654263588 /nfs/dbraw/zinc/26/35/88/654263588.db2.gz SKDGJNORFOPVLM-JSGCOSHPSA-N 1 0 376.400 2.209 20 0 GEADRO CC1(C)Cc2cc(S(=O)(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)ccc2O1 ZINC000871814131 654263928 /nfs/dbraw/zinc/26/39/28/654263928.db2.gz PLHQYNXVQLLBLW-YPMHNXCESA-N 1 0 378.416 2.158 20 0 GEADRO CC1(C)Cc2cc(S(=O)(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)ccc2O1 ZINC000871814129 654263985 /nfs/dbraw/zinc/26/39/85/654263985.db2.gz PLHQYNXVQLLBLW-DGCLKSJQSA-N 1 0 378.416 2.158 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@H]1C(F)(F)F ZINC000871814075 654263996 /nfs/dbraw/zinc/26/39/96/654263996.db2.gz OUDDTMYBVXNAJJ-BXKDBHETSA-N 1 0 388.358 2.088 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000871815017 654264385 /nfs/dbraw/zinc/26/43/85/654264385.db2.gz YUJNLKZFDMEZNG-HTRCEHHLSA-N 1 0 378.203 2.146 20 0 GEADRO Cc1c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c2ccccc2n1C ZINC000871815122 654264392 /nfs/dbraw/zinc/26/43/92/654264392.db2.gz ZJHRCHHUJGJCMR-DGCLKSJQSA-N 1 0 375.416 2.244 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000871815018 654264442 /nfs/dbraw/zinc/26/44/42/654264442.db2.gz YUJNLKZFDMEZNG-POYBYMJQSA-N 1 0 378.203 2.146 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)=NO1 ZINC000852866858 654264398 /nfs/dbraw/zinc/26/43/98/654264398.db2.gz MRRDUIDQZBIFTQ-CYBMUJFWSA-N 1 0 385.295 2.178 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871816160 654264678 /nfs/dbraw/zinc/26/46/78/654264678.db2.gz BIRLUYPCUTYSDK-JCURWCKSSA-N 1 0 388.917 2.317 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871815996 654264886 /nfs/dbraw/zinc/26/48/86/654264886.db2.gz AZKDTUDPLCZZJE-KBPBESRZSA-N 1 0 375.288 2.021 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903590679 654265263 /nfs/dbraw/zinc/26/52/63/654265263.db2.gz YMSILLYQVOXATE-SUMWQHHRSA-N 1 0 388.917 2.257 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)NCc2ccc(Br)cc2C(F)(F)F)=NO1 ZINC000852883024 654265358 /nfs/dbraw/zinc/26/53/58/654265358.db2.gz DLTLYZDBJCATKE-VIFPVBQESA-N 1 0 380.164 2.188 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903593619 654265844 /nfs/dbraw/zinc/26/58/44/654265844.db2.gz RBTTUKAMSWMFJW-CQSZACIVSA-N 1 0 393.278 2.113 20 0 GEADRO [NH3+]CCCCCCNC(=O)c1sc2c(c1I)CNC2 ZINC000852893905 654265849 /nfs/dbraw/zinc/26/58/49/654265849.db2.gz DBEYFBSILHCALS-UHFFFAOYSA-N 1 0 393.294 2.205 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000871820763 654266022 /nfs/dbraw/zinc/26/60/22/654266022.db2.gz VJLWXRLDNSFZES-UONOGXRCSA-N 1 0 375.288 2.021 20 0 GEADRO C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901496 654266707 /nfs/dbraw/zinc/26/67/07/654266707.db2.gz JKOKVAACYCVVOG-XRNSZHNASA-N 1 0 380.124 2.481 20 0 GEADRO CN(CCCCCC[NH3+])S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000871823404 654266643 /nfs/dbraw/zinc/26/66/43/654266643.db2.gz PESRPGBHGMIJCL-UHFFFAOYSA-N 1 0 381.420 2.327 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)cs1 ZINC000903599455 654266813 /nfs/dbraw/zinc/26/68/13/654266813.db2.gz PYWAXZCARWNRDE-UHFFFAOYSA-N 1 0 380.491 2.177 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000852908419 654268060 /nfs/dbraw/zinc/26/80/60/654268060.db2.gz MYHFSNBGBVKWFA-HZPDHXFCSA-N 1 0 383.286 2.118 20 0 GEADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(Br)cn1)c1cccnc1 ZINC000921481965 654272452 /nfs/dbraw/zinc/27/24/52/654272452.db2.gz YRYUNOGMLJHFKU-AWEZNQCLSA-N 1 0 399.314 2.210 20 0 GEADRO COc1ncc(S(=O)(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1Cl ZINC000921480123 654272503 /nfs/dbraw/zinc/27/25/03/654272503.db2.gz ZMQXXCRSLKAZEE-HNNXBMFYSA-N 1 0 384.889 2.110 20 0 GEADRO Cc1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)c(C)cc1I ZINC000921498543 654275424 /nfs/dbraw/zinc/27/54/24/654275424.db2.gz IPBVFKACOFBQOV-LBPRGKRZSA-N 1 0 379.263 2.185 20 0 GEADRO O=C(NCCC[NH2+]C[C@@H](O)c1ccccn1)c1cccc(Br)c1 ZINC000853097299 654279011 /nfs/dbraw/zinc/27/90/11/654279011.db2.gz BHYWLBDOPIFBRM-MRXNPFEDSA-N 1 0 378.270 2.287 20 0 GEADRO O=C(N[C@@H]1CCOC2(CCSCC2)C1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921553349 654280024 /nfs/dbraw/zinc/28/00/24/654280024.db2.gz BNTGLRKKYPRWSP-PMPSAXMXSA-N 1 0 385.599 2.310 20 0 GEADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903715470 654280664 /nfs/dbraw/zinc/28/06/64/654280664.db2.gz JCJRQEGPIKWPFB-NXEZZACHSA-N 1 0 383.823 2.098 20 0 GEADRO CC(C)[C@@H](CNc1ccc2c(c1)S(=O)(=O)N=C2Cl)N1CC[NH+](C)CC1 ZINC000853133040 654281086 /nfs/dbraw/zinc/28/10/86/654281086.db2.gz GECYCATYLGOTKV-OAHLLOKOSA-N 1 0 384.933 2.058 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000903781398 654283149 /nfs/dbraw/zinc/28/31/49/654283149.db2.gz ROLYCNPNSUIURQ-LBPRGKRZSA-N 1 0 388.331 2.070 20 0 GEADRO CCCNC(=O)CCNCc1nc(Br)c(Br)n1CC ZINC000921573820 654283431 /nfs/dbraw/zinc/28/34/31/654283431.db2.gz SYPDMQYNBBDHFV-UHFFFAOYSA-N 1 0 396.127 2.434 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCCN2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000903795294 654283674 /nfs/dbraw/zinc/28/36/74/654283674.db2.gz JZVDXCTUADEXRZ-CJNGLKHVSA-N 1 0 387.343 2.426 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1cscc1Br ZINC000903787886 654283858 /nfs/dbraw/zinc/28/38/58/654283858.db2.gz YGQPHLWLYUQHSU-LBPRGKRZSA-N 1 0 388.331 2.070 20 0 GEADRO CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1(C[NH3+])CCOCC1 ZINC000903806365 654284380 /nfs/dbraw/zinc/28/43/80/654284380.db2.gz WXJRLQOUQYZGLF-UHFFFAOYSA-N 1 0 381.325 2.207 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccc(Br)cc1F ZINC000903830720 654284612 /nfs/dbraw/zinc/28/46/12/654284612.db2.gz IVVZQIUGODVTEM-ZDUSSCGKSA-N 1 0 388.281 2.227 20 0 GEADRO C[NH2+]C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000832668817 654285329 /nfs/dbraw/zinc/28/53/29/654285329.db2.gz WXVRETMOAMNNJV-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN(C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000832672919 654286046 /nfs/dbraw/zinc/28/60/46/654286046.db2.gz NWLUOHWAIVGOIS-QGZVFWFLSA-N 1 0 398.345 2.015 20 0 GEADRO O=C(CN1CCC[C@]12CC[NH2+]C2)Nc1ccc(I)cc1 ZINC000903864405 654288073 /nfs/dbraw/zinc/28/80/73/654288073.db2.gz UITSOUANACUHGW-OAHLLOKOSA-N 1 0 385.249 2.058 20 0 GEADRO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903970594 654293384 /nfs/dbraw/zinc/29/33/84/654293384.db2.gz ZVDSEGJSPZSGOE-CJNGLKHVSA-N 1 0 378.460 2.393 20 0 GEADRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903970593 654293390 /nfs/dbraw/zinc/29/33/90/654293390.db2.gz ZVDSEGJSPZSGOE-BBRMVZONSA-N 1 0 378.460 2.393 20 0 GEADRO OCCCC[NH+]1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)CC1 ZINC000853372871 654293847 /nfs/dbraw/zinc/29/38/47/654293847.db2.gz BHMJFFLVUVGXRC-UHFFFAOYSA-N 1 0 388.697 2.268 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891445286 654294131 /nfs/dbraw/zinc/29/41/31/654294131.db2.gz KSLJQLIVUMHBQR-PBHICJAKSA-N 1 0 396.285 2.304 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891445288 654294150 /nfs/dbraw/zinc/29/41/50/654294150.db2.gz KSLJQLIVUMHBQR-WMLDXEAASA-N 1 0 396.285 2.304 20 0 GEADRO CC(C)(O)C[C@H](O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000871974088 654297185 /nfs/dbraw/zinc/29/71/85/654297185.db2.gz XGSCDGBPHAKVCN-LBPRGKRZSA-N 1 0 375.296 2.273 20 0 GEADRO CCO[C@@H](CNS(=O)(=O)c1cccc(C)c1Br)C[NH+](C)C ZINC000921640278 654297592 /nfs/dbraw/zinc/29/75/92/654297592.db2.gz DKJKOZJPGXJOKH-LBPRGKRZSA-N 1 0 379.320 2.003 20 0 GEADRO COc1cccc([C@@H](CNc2nc(Cl)ccc2S(N)(=O)=O)[NH+](C)C)c1 ZINC000891502450 654298126 /nfs/dbraw/zinc/29/81/26/654298126.db2.gz XLIYWSMITVRWMR-CYBMUJFWSA-N 1 0 384.889 2.106 20 0 GEADRO CCO[C@@H](CNS(=O)(=O)c1sc(C)cc1Br)C[NH+](C)C ZINC000921644239 654298081 /nfs/dbraw/zinc/29/80/81/654298081.db2.gz PZYCFORQZRSQEL-JTQLQIEISA-N 1 0 385.349 2.064 20 0 GEADRO O=C([C@H]1CCC[N@@H+](Cc2cnc(CC(F)(F)F)s2)C1)N1CCOCC1 ZINC000891556835 654300541 /nfs/dbraw/zinc/30/05/41/654300541.db2.gz ZBNSGSHUQSVKHQ-LBPRGKRZSA-N 1 0 377.432 2.319 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)C[C@H]1C(F)(F)F ZINC000891588855 654301924 /nfs/dbraw/zinc/30/19/24/654301924.db2.gz IOURHJOSVOUBIS-RNFRBKRXSA-N 1 0 376.326 2.441 20 0 GEADRO C[NH+]1CCN(CCNc2ncnc3c2c(Br)nn3C(C)(C)C)CC1 ZINC000891619615 654303562 /nfs/dbraw/zinc/30/35/62/654303562.db2.gz GLSKDBGEBUZCPR-UHFFFAOYSA-N 1 0 396.337 2.003 20 0 GEADRO O=C(NCC1CN(C[C@H](O)c2cccc(Br)c2)C1)C(F)(F)F ZINC000871991940 654304141 /nfs/dbraw/zinc/30/41/41/654304141.db2.gz PDSJQICAKMRPOZ-LBPRGKRZSA-N 1 0 381.192 2.093 20 0 GEADRO CCOC(=O)[C@H](C)C1C[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000871993346 654304368 /nfs/dbraw/zinc/30/43/68/654304368.db2.gz NGCCIXALSGCYCF-DOMZBBRYSA-N 1 0 386.286 2.320 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000891680774 654306400 /nfs/dbraw/zinc/30/64/00/654306400.db2.gz AHGQGSQHVPZUJX-KOMQPUFPSA-N 1 0 395.345 2.450 20 0 GEADRO CN(C)C(=O)N(C)[C@H]1CCN(Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000853585174 654306654 /nfs/dbraw/zinc/30/66/54/654306654.db2.gz VTRIBTIWXDIRHX-LBPRGKRZSA-N 1 0 397.273 2.002 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1ccc(O)c(Br)c1)C2 ZINC000891692217 654307420 /nfs/dbraw/zinc/30/74/20/654307420.db2.gz XORIRTIGBKJYAW-UHFFFAOYSA-N 1 0 397.298 2.338 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Br)cnc1Cl ZINC000833558781 654307781 /nfs/dbraw/zinc/30/77/81/654307781.db2.gz FGMCKKFHSNISOQ-LLVKDONJSA-N 1 0 376.682 2.074 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904417967 654309863 /nfs/dbraw/zinc/30/98/63/654309863.db2.gz QOOBSTYEHCEUTO-GRYCIOLGSA-N 1 0 377.246 2.044 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@H](CN2CCc3cc(Br)c(F)cc3C2)C1 ZINC000904428461 654310417 /nfs/dbraw/zinc/31/04/17/654310417.db2.gz LTNFNFKXFLMVKX-GFCCVEGCSA-N 1 0 384.293 2.144 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000904459089 654311527 /nfs/dbraw/zinc/31/15/27/654311527.db2.gz NSMHYNXMOGFCDB-JTQLQIEISA-N 1 0 385.852 2.450 20 0 GEADRO CNC(=O)c1cccc(NC(=O)NC[C@@H]2CCCCC[NH2+]2)c1Br ZINC000904473508 654311970 /nfs/dbraw/zinc/31/19/70/654311970.db2.gz SMUPVZSSNCHDPK-NSHDSACASA-N 1 0 383.290 2.462 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000904471782 654312051 /nfs/dbraw/zinc/31/20/51/654312051.db2.gz CGYYKDDAAVEJSE-LLVKDONJSA-N 1 0 394.273 2.235 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)nc12 ZINC000891791630 654312057 /nfs/dbraw/zinc/31/20/57/654312057.db2.gz QKTDAOOBXXTQHB-RHSMWYFYSA-N 1 0 392.301 2.489 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000904491314 654312539 /nfs/dbraw/zinc/31/25/39/654312539.db2.gz NRRBEUYHYOJZKL-CZMCAQCFSA-N 1 0 375.210 2.159 20 0 GEADRO O=C(Nc1ccc(I)cc1F)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904519686 654312844 /nfs/dbraw/zinc/31/28/44/654312844.db2.gz CDLSLZBIIWHHHK-JFUSQASVSA-N 1 0 375.185 2.445 20 0 GEADRO O=C(C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)NCC(F)F ZINC000872068620 654313432 /nfs/dbraw/zinc/31/34/32/654313432.db2.gz HQEVNGHVONCNMR-IAQYHMDHSA-N 1 0 377.229 2.498 20 0 GEADRO COCCOc1ccc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000904547186 654313534 /nfs/dbraw/zinc/31/35/34/654313534.db2.gz CYCSIUKFCXCTLK-NEPJUHHUSA-N 1 0 386.290 2.451 20 0 GEADRO COCCOc1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000904552709 654313841 /nfs/dbraw/zinc/31/38/41/654313841.db2.gz WMEHEBXQRVODSV-TXEJJXNPSA-N 1 0 384.274 2.157 20 0 GEADRO Cc1ccc(-c2noc([C@@H]3CCCN(CC[NH3+])C3=O)n2)c(Br)c1 ZINC000904601503 654313889 /nfs/dbraw/zinc/31/38/89/654313889.db2.gz DXMSDSVLHNAXSL-LBPRGKRZSA-N 1 0 379.258 2.472 20 0 GEADRO COCCOc1ccc(NC(=O)N2CC3CC2(C[NH3+])C3)cc1Br ZINC000904551984 654313938 /nfs/dbraw/zinc/31/39/38/654313938.db2.gz QUOBUITZMIHWDP-UHFFFAOYSA-N 1 0 384.274 2.429 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)cc1 ZINC000872110186 654313948 /nfs/dbraw/zinc/31/39/48/654313948.db2.gz DVWFEAZZDWRATM-SECBINFHSA-N 1 0 376.347 2.417 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148837 654314366 /nfs/dbraw/zinc/31/43/66/654314366.db2.gz KXKFVHXDXNIVBH-YUSALJHKSA-N 1 0 380.208 2.045 20 0 GEADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1-c1nc(Cn2cc(Br)cn2)no1 ZINC000872176583 654315633 /nfs/dbraw/zinc/31/56/33/654315633.db2.gz VRIWURYVGKETPF-GFCCVEGCSA-N 1 0 392.261 2.173 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC000921735838 654315759 /nfs/dbraw/zinc/31/57/59/654315759.db2.gz XYIQZZFHVJLWKF-UHFFFAOYSA-N 1 0 376.473 2.037 20 0 GEADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891858876 654315862 /nfs/dbraw/zinc/31/58/62/654315862.db2.gz WTXNKBTWVCFXEK-GASCZTMLSA-N 1 0 390.285 2.281 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)c2nc(Cl)sc2C)CC1 ZINC000804627067 654316007 /nfs/dbraw/zinc/31/60/07/654316007.db2.gz AUTLKEUXGIJFMK-UHFFFAOYSA-N 1 0 375.922 2.304 20 0 GEADRO Cn1ncc(-c2noc([C@H](N)C[N@H+](C)Cc3ccccc3)n2)c1Br ZINC000872181207 654315984 /nfs/dbraw/zinc/31/59/84/654315984.db2.gz ZFLLIRNMLZXBFH-CYBMUJFWSA-N 1 0 391.273 2.364 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccsc2)C[C@@H]1C(F)(F)F ZINC000872185590 654316146 /nfs/dbraw/zinc/31/61/46/654316146.db2.gz BWTRQXBJSDKBDI-AGIUHOORSA-N 1 0 375.416 2.007 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cn1 ZINC000891869731 654316305 /nfs/dbraw/zinc/31/63/05/654316305.db2.gz WXZIRAVZCPEDQK-NXEZZACHSA-N 1 0 377.233 2.449 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)CC1CC1 ZINC000872203356 654316644 /nfs/dbraw/zinc/31/66/44/654316644.db2.gz VZOHBUHSWOXWKA-AWEZNQCLSA-N 1 0 382.309 2.148 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)c1ccc(Br)cc1OCCCO ZINC000872215410 654317023 /nfs/dbraw/zinc/31/70/23/654317023.db2.gz ZQBXXNMWCZKHQK-TZMCWYRMSA-N 1 0 390.318 2.383 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ncc(Br)cn2)C1 ZINC000891893534 654316998 /nfs/dbraw/zinc/31/69/98/654316998.db2.gz WTNWUVLYTOMODJ-BETUJISGSA-N 1 0 384.322 2.406 20 0 GEADRO [NH3+]CCN1CCC[C@H](c2nc(Cc3cc(Br)cs3)no2)C1=O ZINC000904710661 654317063 /nfs/dbraw/zinc/31/70/63/654317063.db2.gz ANVNBRAJZQETAV-LLVKDONJSA-N 1 0 385.287 2.149 20 0 GEADRO C[C@]1(CNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)OCCc2sccc21 ZINC000891906423 654317560 /nfs/dbraw/zinc/31/75/60/654317560.db2.gz MSEWZTNEKQADMO-IFUGULHKSA-N 1 0 377.432 2.315 20 0 GEADRO Fc1cc(Br)cc(Cc2noc([C@]34C[NH2+]C[C@H]3CCOC4)n2)c1 ZINC000904712539 654317669 /nfs/dbraw/zinc/31/76/69/654317669.db2.gz LSOLEPZVGAKXPJ-BZNIZROVSA-N 1 0 382.233 2.440 20 0 GEADRO [NH3+]CCN1CCC[C@@H](c2nc(Cc3cc(Br)cs3)no2)C1=O ZINC000904710662 654317712 /nfs/dbraw/zinc/31/77/12/654317712.db2.gz ANVNBRAJZQETAV-NSHDSACASA-N 1 0 385.287 2.149 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCSCC(F)(F)F)C2 ZINC000921750038 654318092 /nfs/dbraw/zinc/31/80/92/654318092.db2.gz KHLWXBQWKRHQBI-BHPKHCPMSA-N 1 0 383.480 2.061 20 0 GEADRO CC(C)(C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)N1CCOCC1 ZINC000834353704 654318346 /nfs/dbraw/zinc/31/83/46/654318346.db2.gz MOKKKKJXFARTSJ-QGZVFWFLSA-N 1 0 389.309 2.496 20 0 GEADRO CS(=O)(=O)c1ccc(-c2noc([C@@H]3CC[NH2+][C@H]([C@H]4CCCO4)C3)n2)s1 ZINC000904733737 654318402 /nfs/dbraw/zinc/31/84/02/654318402.db2.gz RPKNLRUDBPDCMU-GRYCIOLGSA-N 1 0 383.495 2.216 20 0 GEADRO C[C@](O)(C[NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000834353278 654318573 /nfs/dbraw/zinc/31/85/73/654318573.db2.gz GGIMBKNRSGBUFO-GWCFXTLKSA-N 1 0 382.707 2.087 20 0 GEADRO COC[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cccc(Br)c1 ZINC000872235949 654318525 /nfs/dbraw/zinc/31/85/25/654318525.db2.gz FASWVHJYIFIFNR-RDJZCZTQSA-N 1 0 388.302 2.283 20 0 GEADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891922619 654318730 /nfs/dbraw/zinc/31/87/30/654318730.db2.gz SCRIZEZOGJVWFW-HOTGVXAUSA-N 1 0 385.917 2.040 20 0 GEADRO CS[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000921757203 654318862 /nfs/dbraw/zinc/31/88/62/654318862.db2.gz NKVCYQGPGGTEHK-HZPDHXFCSA-N 1 0 376.588 2.223 20 0 GEADRO C[C@](O)(C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000834357522 654319093 /nfs/dbraw/zinc/31/90/93/654319093.db2.gz LMCSDZODEFMYTH-YGRLFVJLSA-N 1 0 396.734 2.334 20 0 GEADRO C[C@H](CN1CCOCC1)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000834363153 654319510 /nfs/dbraw/zinc/31/95/10/654319510.db2.gz VXOQJTJLUFZENE-MLGOLLRUSA-N 1 0 375.282 2.106 20 0 GEADRO Cc1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872255055 654319965 /nfs/dbraw/zinc/31/99/65/654319965.db2.gz IYAZPYUWDDWQIH-BMFZPTHFSA-N 1 0 380.286 2.124 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)/C=C\c1ccc(I)o1)C2 ZINC000872262739 654320442 /nfs/dbraw/zinc/32/04/42/654320442.db2.gz AXPUMPUCCRPWMG-MURIBYQFSA-N 1 0 386.233 2.355 20 0 GEADRO O=C(NCC[NH2+]C1CC1)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000891984910 654322132 /nfs/dbraw/zinc/32/21/32/654322132.db2.gz NTVBRLAFEJFLSN-UHFFFAOYSA-N 1 0 378.274 2.186 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000891995374 654322918 /nfs/dbraw/zinc/32/29/18/654322918.db2.gz NIGGSQLSSPHZBG-IUODEOHRSA-N 1 0 390.311 2.374 20 0 GEADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Br)n[nH]1 ZINC000834424439 654323469 /nfs/dbraw/zinc/32/34/69/654323469.db2.gz ZPATUQSEJRROIM-CQSZACIVSA-N 1 0 393.285 2.193 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)N[C@H]2CC[NH2+]C23CCCC3)C(F)(F)F)n1 ZINC000904928377 654324499 /nfs/dbraw/zinc/32/44/99/654324499.db2.gz MQFHVTXBCGPJPG-NHYWBVRUSA-N 1 0 377.432 2.382 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C(F)(F)F)n1 ZINC000904927614 654324547 /nfs/dbraw/zinc/32/45/47/654324547.db2.gz HAQIYAUBVMWSSN-CKRXIKOQSA-N 1 0 379.448 2.423 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C(F)(F)F)n1 ZINC000904932359 654325203 /nfs/dbraw/zinc/32/52/03/654325203.db2.gz PIMUCHPXDLDFMD-LSDHHAIUSA-N 1 0 377.432 2.194 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000892029908 654325398 /nfs/dbraw/zinc/32/53/98/654325398.db2.gz YCWZANIGSGQPDM-HNNXBMFYSA-N 1 0 378.274 2.171 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000904973815 654325881 /nfs/dbraw/zinc/32/58/81/654325881.db2.gz RARKDVDHYVEALS-KSSFIOAISA-N 1 0 394.313 2.137 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000904969149 654326107 /nfs/dbraw/zinc/32/61/07/654326107.db2.gz AOZNUSCCTUFPNJ-KSSFIOAISA-N 1 0 394.313 2.137 20 0 GEADRO O=C(NCC[NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccc(Br)cc1 ZINC000905057951 654328306 /nfs/dbraw/zinc/32/83/06/654328306.db2.gz CCJNNQXCBZUWGM-MRXNPFEDSA-N 1 0 399.329 2.215 20 0 GEADRO C[C@]1(CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000834475394 654328523 /nfs/dbraw/zinc/32/85/23/654328523.db2.gz RVCJSMHQRCBZJF-KRWDZBQOSA-N 1 0 379.917 2.393 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905079080 654329477 /nfs/dbraw/zinc/32/94/77/654329477.db2.gz DMLFZGQKDKBGSY-CQSZACIVSA-N 1 0 385.302 2.342 20 0 GEADRO O=C(NCCC[NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccc(Br)cc1 ZINC000905088271 654329822 /nfs/dbraw/zinc/32/98/22/654329822.db2.gz IPXVSGFJDIWTRN-INIZCTEOSA-N 1 0 399.329 2.215 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1COc2cccc(Br)c2C1)C(F)F ZINC000892150372 654331248 /nfs/dbraw/zinc/33/12/48/654331248.db2.gz IRCUKKGHLOLIRV-LDYMZIIASA-N 1 0 378.217 2.034 20 0 GEADRO CN(c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)cc1)S(C)(=O)=O ZINC000905102159 654331588 /nfs/dbraw/zinc/33/15/88/654331588.db2.gz AVMUKNPBRXJQHV-GFCCVEGCSA-N 1 0 390.374 2.121 20 0 GEADRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905122648 654333115 /nfs/dbraw/zinc/33/31/15/654333115.db2.gz BJHRQUQHPVPKLW-KFWWJZLASA-N 1 0 378.604 2.252 20 0 GEADRO O=C(NCc1cc(C(F)(F)F)ccc1Br)NC[C@@H]1C[NH2+]CCO1 ZINC000892188949 654333284 /nfs/dbraw/zinc/33/32/84/654333284.db2.gz KPEVLILBELGDIP-NSHDSACASA-N 1 0 396.207 2.256 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905190642 654337263 /nfs/dbraw/zinc/33/72/63/654337263.db2.gz XQEDMAKHOQLJHX-WPGHFRTFSA-N 1 0 376.266 2.011 20 0 GEADRO O[C@@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C1(O)CCOCC1 ZINC000905189206 654337317 /nfs/dbraw/zinc/33/73/17/654337317.db2.gz LSQPANXIFXWCIP-INIZCTEOSA-N 1 0 382.913 2.498 20 0 GEADRO O[C@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C[C@@]1(O)CCOC1 ZINC000905189186 654337343 /nfs/dbraw/zinc/33/73/43/654337343.db2.gz LDEDGWUZPXRWSO-WMZOPIPTSA-N 1 0 382.913 2.498 20 0 GEADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@H]2CSCCS2)CCN1C(=O)OC(C)(C)C ZINC000834616486 654338463 /nfs/dbraw/zinc/33/84/63/654338463.db2.gz OXAHNFMNXZYKTE-MCIONIFRSA-N 1 0 390.571 2.366 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)CCO2 ZINC000905201770 654338531 /nfs/dbraw/zinc/33/85/31/654338531.db2.gz PHLUBWWHIMIYSD-KCXAZCMYSA-N 1 0 394.320 2.353 20 0 GEADRO CS[C@@H](C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(C)(C)C ZINC000905203161 654338647 /nfs/dbraw/zinc/33/86/47/654338647.db2.gz KKFVYGTXCIRNHD-KBPBESRZSA-N 1 0 380.620 2.355 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(Br)nn2)c1 ZINC000892294157 654338839 /nfs/dbraw/zinc/33/88/39/654338839.db2.gz RJKBOLPZQIPFEG-UHFFFAOYSA-N 1 0 378.274 2.143 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872450077 654339441 /nfs/dbraw/zinc/33/94/41/654339441.db2.gz VCYFBIQBENHRFU-LBPRGKRZSA-N 1 0 385.917 2.187 20 0 GEADRO CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834634586 654339703 /nfs/dbraw/zinc/33/97/03/654339703.db2.gz CRAADCBOXFPOPZ-HUUCEWRRSA-N 1 0 377.551 2.082 20 0 GEADRO Cc1c(C(=O)NCC(C)(C)[NH+](C)C)nnn1-c1ccccc1Br ZINC000905221278 654341026 /nfs/dbraw/zinc/34/10/26/654341026.db2.gz DGNMEYOFPXYLKJ-UHFFFAOYSA-N 1 0 380.290 2.408 20 0 GEADRO OCC[N@@H+]1CCCN(c2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000892338297 654341237 /nfs/dbraw/zinc/34/12/37/654341237.db2.gz VNKQNEXAKKFIKZ-UHFFFAOYSA-N 1 0 377.286 2.411 20 0 GEADRO CCOC(=O)c1csc(CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)n1 ZINC000905230291 654341560 /nfs/dbraw/zinc/34/15/60/654341560.db2.gz OVTDLIICLJOCQR-NSHDSACASA-N 1 0 376.347 2.401 20 0 GEADRO CNS(=O)(=O)c1cccc(-c2noc(-c3cc4c(s3)CC[NH2+]C4)n2)c1 ZINC000854138059 654341543 /nfs/dbraw/zinc/34/15/43/654341543.db2.gz SOBWJFKZEKLAPB-UHFFFAOYSA-N 1 0 376.463 2.019 20 0 GEADRO O=S(=O)(c1cccc(Br)n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000872457812 654342167 /nfs/dbraw/zinc/34/21/67/654342167.db2.gz UPIGCBRHBPDBNN-CYBMUJFWSA-N 1 0 388.331 2.341 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@H](O)CC2(O)CCCC2)CCN1c1cccc(Br)c1 ZINC000905236203 654342393 /nfs/dbraw/zinc/34/23/93/654342393.db2.gz DVWURMLSRIJJFB-CVEARBPZSA-N 1 0 397.313 2.200 20 0 GEADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905232949 654342519 /nfs/dbraw/zinc/34/25/19/654342519.db2.gz OKFPPBOOVQILGX-LBPRGKRZSA-N 1 0 396.422 2.117 20 0 GEADRO [NH3+]CCn1cc(-c2nc(C3(c4cccc(Br)c4)CC3)no2)nn1 ZINC000854155052 654342773 /nfs/dbraw/zinc/34/27/73/654342773.db2.gz PEZWXIHRFMRKEK-UHFFFAOYSA-N 1 0 375.230 2.129 20 0 GEADRO O[C@@H](C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C[C@]1(O)CCOC1 ZINC000905245522 654344145 /nfs/dbraw/zinc/34/41/45/654344145.db2.gz WIHUAJBRXHAVJX-VMUDFCTBSA-N 1 0 388.277 2.326 20 0 GEADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)C1(Br)CC1 ZINC000921932698 654344309 /nfs/dbraw/zinc/34/43/09/654344309.db2.gz IBTVPWMBKXXLNP-UHFFFAOYSA-N 1 0 381.314 2.447 20 0 GEADRO C[C@@](O)(C[NH2+]CCS(=O)(=O)CCc1ccccc1)C(F)(F)C(F)(F)F ZINC000905249392 654344552 /nfs/dbraw/zinc/34/45/52/654344552.db2.gz YCSIGBYZOKYHSI-CYBMUJFWSA-N 1 0 389.386 2.182 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000892436984 654345937 /nfs/dbraw/zinc/34/59/37/654345937.db2.gz FHRYTKMWVUFWKQ-IIAWOOMASA-N 1 0 398.345 2.417 20 0 GEADRO O[C@@H](C[NH2+]CCc1ccc(Br)cc1Cl)C[C@]1(O)CCOC1 ZINC000905271234 654346880 /nfs/dbraw/zinc/34/68/80/654346880.db2.gz AYOCKGONXNIMMZ-UKRRQHHQSA-N 1 0 378.694 2.137 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]C[C@@]2(C)CC2(Cl)Cl)CCC1 ZINC000905271947 654346926 /nfs/dbraw/zinc/34/69/26/654346926.db2.gz FULPLBLQKJHODG-WCQYABFASA-N 1 0 387.373 2.161 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000892459007 654347486 /nfs/dbraw/zinc/34/74/86/654347486.db2.gz POJDCJOPEHLBQQ-WMEQCIOUSA-N 1 0 386.265 2.287 20 0 GEADRO O[C@H](C[NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000905286230 654347936 /nfs/dbraw/zinc/34/79/36/654347936.db2.gz YIYVZAVVBSXEBQ-QGZVFWFLSA-N 1 0 389.323 2.498 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1nc(C2CC2)ncc1Br ZINC000905289512 654348113 /nfs/dbraw/zinc/34/81/13/654348113.db2.gz UEVBJOSRRYTWLK-LBPRGKRZSA-N 1 0 395.301 2.005 20 0 GEADRO O=C(NCCc1ccccc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892504874 654348803 /nfs/dbraw/zinc/34/88/03/654348803.db2.gz DMKWYNOZGLPXSO-IAGOWNOFSA-N 1 0 396.329 2.232 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c(Cl)cc1Cl ZINC000834821171 654350793 /nfs/dbraw/zinc/35/07/93/654350793.db2.gz LCSYZDYVFSCPMS-NXEZZACHSA-N 1 0 396.340 2.393 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc(Br)c1OC ZINC000892556002 654351378 /nfs/dbraw/zinc/35/13/78/654351378.db2.gz YLNMFHXVJCDEKD-OCCSQVGLSA-N 1 0 398.301 2.312 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000905334706 654351294 /nfs/dbraw/zinc/35/12/94/654351294.db2.gz UXOOPRKWTNBAPQ-AWEZNQCLSA-N 1 0 389.315 2.192 20 0 GEADRO CN(CCc1ccc(Br)cc1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905335268 654351461 /nfs/dbraw/zinc/35/14/61/654351461.db2.gz FMDBDHQOMUPEFD-UHFFFAOYSA-N 1 0 375.332 2.253 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)ccc1Cl ZINC000834829760 654351701 /nfs/dbraw/zinc/35/17/01/654351701.db2.gz FAQXSQISLJOYNL-LBPRGKRZSA-N 1 0 397.875 2.083 20 0 GEADRO CN1CC[C@H](NS(=O)(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000905343757 654352292 /nfs/dbraw/zinc/35/22/92/654352292.db2.gz SQCYDKCSXYRPFL-IRXDYDNUSA-N 1 0 389.924 2.143 20 0 GEADRO C[NH+](C)CC1(NS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CCC1 ZINC000872485202 654353089 /nfs/dbraw/zinc/35/30/89/654353089.db2.gz XEGASWBBTKPRAO-UHFFFAOYSA-N 1 0 385.917 2.377 20 0 GEADRO CC[C@](O)(C[NH2+]C[C@H](O)COc1ccccc1Br)C(F)(F)F ZINC000905367094 654353628 /nfs/dbraw/zinc/35/36/28/654353628.db2.gz IFZQRGDQTIOYFN-GWCFXTLKSA-N 1 0 386.208 2.482 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000834861691 654354047 /nfs/dbraw/zinc/35/40/47/654354047.db2.gz LNBDESRKIGINMM-RYUDHWBXSA-N 1 0 378.523 2.172 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000834861688 654354054 /nfs/dbraw/zinc/35/40/54/654354054.db2.gz LNBDESRKIGINMM-NEPJUHHUSA-N 1 0 378.523 2.172 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@@](C)(O)C(F)F ZINC000905370205 654354144 /nfs/dbraw/zinc/35/41/44/654354144.db2.gz DFEYXHPLLMHOSN-ZUZCIYMTSA-N 1 0 382.245 2.214 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000834878173 654355130 /nfs/dbraw/zinc/35/51/30/654355130.db2.gz JYVDHOHMRFDXNV-ILXRZTDVSA-N 1 0 377.551 2.130 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834879077 654355177 /nfs/dbraw/zinc/35/51/77/654355177.db2.gz PPKNRWBGZXPZLK-KKUMJFAQSA-N 1 0 377.551 2.082 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)ccc1S(=O)(=O)C(F)F ZINC000834907707 654355459 /nfs/dbraw/zinc/35/54/59/654355459.db2.gz AJDAQPSKCQUOIQ-QLJPJBMISA-N 1 0 376.425 2.011 20 0 GEADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834894412 654355566 /nfs/dbraw/zinc/35/55/66/654355566.db2.gz TWJWYBPEIHDCBV-KMFMINBZSA-N 1 0 388.555 2.355 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000905428942 654356259 /nfs/dbraw/zinc/35/62/59/654356259.db2.gz AOYDHRFNUAVISS-UKRRQHHQSA-N 1 0 381.416 2.002 20 0 GEADRO CS(=O)(=O)C1CC([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000892662712 654356830 /nfs/dbraw/zinc/35/68/30/654356830.db2.gz KXNOURJQTYWJDF-YGONEPDPSA-N 1 0 387.343 2.441 20 0 GEADRO O=C(CC[NH2+]CC[C@H]1CCCS1(=O)=O)Nc1cccc(Br)c1 ZINC000905432261 654357139 /nfs/dbraw/zinc/35/71/39/654357139.db2.gz OSSMAQRRFRJAJZ-CQSZACIVSA-N 1 0 389.315 2.335 20 0 GEADRO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000922028242 654357339 /nfs/dbraw/zinc/35/73/39/654357339.db2.gz BWWYLQWDRLPJEY-RYUDHWBXSA-N 1 0 386.269 2.479 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000905433593 654357521 /nfs/dbraw/zinc/35/75/21/654357521.db2.gz ZIGUNFITOTZDBT-NEPJUHHUSA-N 1 0 382.309 2.290 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)C[C@]1(O)CCOC1 ZINC000905464591 654359177 /nfs/dbraw/zinc/35/91/77/654359177.db2.gz ISCJTGPKKVPMSY-GXTWGEPZSA-N 1 0 398.219 2.460 20 0 GEADRO C[N@H+](C[C@H](O)CNCc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000905478882 654360094 /nfs/dbraw/zinc/36/00/94/654360094.db2.gz OYEIJRKSDBNFQU-QGZVFWFLSA-N 1 0 379.302 2.180 20 0 GEADRO CCC(C)(C)OCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000835081669 654361001 /nfs/dbraw/zinc/36/10/01/654361001.db2.gz BNHSUTCZIJZMPN-ZDUSSCGKSA-N 1 0 377.938 2.499 20 0 GEADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872511852 654361448 /nfs/dbraw/zinc/36/14/48/654361448.db2.gz WRDGHKDOXWLTJG-UHFFFAOYSA-N 1 0 376.320 2.339 20 0 GEADRO CSc1ccc(OC[C@@H](O)C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000905508753 654362070 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NC(=O)CC1CC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000905534972 654364322 /nfs/dbraw/zinc/36/43/22/654364322.db2.gz WXJOODCOJRSPTF-NHNAUAITSA-N 1 0 391.693 2.086 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000835141966 654364545 /nfs/dbraw/zinc/36/45/45/654364545.db2.gz LJTLNJKJZOYUKR-ZDUSSCGKSA-N 1 0 395.301 2.035 20 0 GEADRO CO[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCSC1 ZINC000905546567 654365022 /nfs/dbraw/zinc/36/50/22/654365022.db2.gz NJUJZDDIIYVEEG-HIFRSBDPSA-N 1 0 376.316 2.301 20 0 GEADRO CSC1(CNC(=O)[C@@H]2CSC(c3ccccc3O)=N2)CC[NH+](C)CC1 ZINC000854522352 654365469 /nfs/dbraw/zinc/36/54/69/654365469.db2.gz GNNSJCIWSAZJQW-AWEZNQCLSA-N 1 0 379.551 2.198 20 0 GEADRO CCS(=O)(=O)c1ccccc1CC[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000905559351 654366292 /nfs/dbraw/zinc/36/62/92/654366292.db2.gz CYULSILGJKIOMS-UHFFFAOYSA-N 1 0 381.519 2.086 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000892850127 654366499 /nfs/dbraw/zinc/36/64/99/654366499.db2.gz KQRFJJXJOHNKGH-AWEZNQCLSA-N 1 0 388.306 2.260 20 0 GEADRO Cc1nc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)sc1Br ZINC000922106340 654367868 /nfs/dbraw/zinc/36/78/68/654367868.db2.gz NQMDJFOZMFGCDG-ZJUUUORDSA-N 1 0 382.349 2.022 20 0 GEADRO O=C(NCc1ccc(Br)cc1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892873518 654368089 /nfs/dbraw/zinc/36/80/89/654368089.db2.gz ROVIJDDBYLDDRE-JKSUJKDBSA-N 1 0 382.302 2.190 20 0 GEADRO O[C@@H](C[NH2+]CC1(n2cc(Br)cn2)CC1)COc1ccccc1F ZINC000905585237 654368197 /nfs/dbraw/zinc/36/81/97/654368197.db2.gz DSXVNMHZLDDZQQ-ZDUSSCGKSA-N 1 0 384.249 2.303 20 0 GEADRO O[C@@H](C[NH2+]CC1(n2cc(Br)cn2)CC1)COCc1ccccc1F ZINC000905588756 654368683 /nfs/dbraw/zinc/36/86/83/654368683.db2.gz YLZKHXUFAYZWKD-HNNXBMFYSA-N 1 0 398.276 2.441 20 0 GEADRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000922112006 654368607 /nfs/dbraw/zinc/36/86/07/654368607.db2.gz ZFSPFOAXIHTKHS-CQSZACIVSA-N 1 0 377.286 2.496 20 0 GEADRO CN(C(=O)N1CCc2sc(C[NH3+])nc2C1)[C@H](CO)c1ccc(Cl)cc1 ZINC000892879564 654368944 /nfs/dbraw/zinc/36/89/44/654368944.db2.gz PWBPWNKOTUYYDV-CQSZACIVSA-N 1 0 380.901 2.399 20 0 GEADRO CCO[C@@H](CNC(=O)NOCc1ccc(F)cc1Br)C[NH+](C)C ZINC000922116459 654368996 /nfs/dbraw/zinc/36/89/96/654368996.db2.gz GULUDHHJYPIEMV-ZDUSSCGKSA-N 1 0 392.269 2.286 20 0 GEADRO CC1(C)CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)C[C@H](C(F)(F)F)O1 ZINC000892879379 654368977 /nfs/dbraw/zinc/36/89/77/654368977.db2.gz NSAYRPBNLCOIGA-LLVKDONJSA-N 1 0 378.420 2.122 20 0 GEADRO Cc1cc(Br)cc2c(C(=O)NCC[N@@H+](C)CCOCCO)coc21 ZINC000922118067 654369057 /nfs/dbraw/zinc/36/90/57/654369057.db2.gz XOOJOMQALDILOS-UHFFFAOYSA-N 1 0 399.285 2.174 20 0 GEADRO Cn1nnc2c1C[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)CC2 ZINC000905631765 654371309 /nfs/dbraw/zinc/37/13/09/654371309.db2.gz ARMGHKJJCUBDCH-GFCCVEGCSA-N 1 0 378.274 2.053 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000854642947 654372851 /nfs/dbraw/zinc/37/28/51/654372851.db2.gz OZXIKINTCVTBMG-OLZOCXBDSA-N 1 0 388.693 2.433 20 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/nfs/dbraw/zinc/37/51/54/654375154.db2.gz RHJZFLKONIKPGU-GFCCVEGCSA-N 1 0 397.317 2.280 20 0 GEADRO CC(C)(C)OC(=O)NCCN1CCC([NH2+]CC[S@@](=O)C(C)(C)C)CC1 ZINC000893003305 654375703 /nfs/dbraw/zinc/37/57/03/654375703.db2.gz HJAVTCGGQKQIHZ-RUZDIDTESA-N 1 0 375.579 2.112 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000835268235 654376430 /nfs/dbraw/zinc/37/64/30/654376430.db2.gz QGUFYPQHQPNBTD-QWHCGFSZSA-N 1 0 395.301 2.034 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)s1 ZINC000922263039 654380062 /nfs/dbraw/zinc/38/00/62/654380062.db2.gz OGVIYUAKINZQDD-AWEZNQCLSA-N 1 0 387.571 2.413 20 0 GEADRO OC[C@@]1([NH2+]Cc2cnc3n2CCOC3)CCc2cc(Br)ccc2C1 ZINC000922284912 654381404 /nfs/dbraw/zinc/38/14/04/654381404.db2.gz ULCUMLVAFZYCMQ-GOSISDBHSA-N 1 0 392.297 2.185 20 0 GEADRO Cn1nc2c(c1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1)COCC2 ZINC000922305121 654382166 /nfs/dbraw/zinc/38/21/66/654382166.db2.gz YBOAPACDVJCMKT-SFHVURJKSA-N 1 0 394.313 2.339 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)C(OC)OC ZINC000922312540 654382546 /nfs/dbraw/zinc/38/25/46/654382546.db2.gz AGOLSFYCPJFAKO-MNOVXSKESA-N 1 0 389.290 2.059 20 0 GEADRO Cc1nn(C)c(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c1Br ZINC000905831136 654382508 /nfs/dbraw/zinc/38/25/08/654382508.db2.gz IMJZRIKPKVXSMB-UHFFFAOYSA-N 1 0 382.262 2.079 20 0 GEADRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000893103133 654382640 /nfs/dbraw/zinc/38/26/40/654382640.db2.gz KZWSGHOFRXYUQQ-CQSZACIVSA-N 1 0 383.290 2.301 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835357049 654383161 /nfs/dbraw/zinc/38/31/61/654383161.db2.gz SFCDGHLHOASDHR-LBPRGKRZSA-N 1 0 385.306 2.328 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1Br ZINC000872666559 654387675 /nfs/dbraw/zinc/38/76/75/654387675.db2.gz VTZKOAZDCRPRCY-UONOGXRCSA-N 1 0 389.315 2.315 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1Br ZINC000872666658 654388309 /nfs/dbraw/zinc/38/83/09/654388309.db2.gz XVZZJRQRYRBTTO-CHWSQXEVSA-N 1 0 377.279 2.445 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](O)CCC1(O)CCC1)COc1cccc(Cl)c1Cl ZINC000905917640 654390692 /nfs/dbraw/zinc/39/06/92/654390692.db2.gz DULRCTJUBOACIR-QWHCGFSZSA-N 1 0 378.296 2.379 20 0 GEADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1nc(Br)nn1C ZINC000922413566 654390768 /nfs/dbraw/zinc/39/07/68/654390768.db2.gz MDUKDBKZKCYNOC-GHMZBOCLSA-N 1 0 388.310 2.170 20 0 GEADRO COc1nsc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)c1Br ZINC000922408312 654390866 /nfs/dbraw/zinc/39/08/66/654390866.db2.gz MNXDDKAQKDIDNJ-KWQFWETISA-N 1 0 388.291 2.208 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC[C@H]21 ZINC000872724862 654393494 /nfs/dbraw/zinc/39/34/94/654393494.db2.gz YYXDCAIZCFCQJF-GXFFZTMASA-N 1 0 384.249 2.480 20 0 GEADRO CN1CC[NH+](C2CCN(Cn3nc(C(F)(F)F)sc3=S)CC2)CC1 ZINC000872731853 654393812 /nfs/dbraw/zinc/39/38/12/654393812.db2.gz NGFIKHQJWYMUFQ-UHFFFAOYSA-N 1 0 381.493 2.362 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000905983938 654396459 /nfs/dbraw/zinc/39/64/59/654396459.db2.gz IESBWMYRDQCWOY-IJLUTSLNSA-N 1 0 382.302 2.499 20 0 GEADRO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ncc(Br)cc2O)cc1 ZINC000893328551 654397167 /nfs/dbraw/zinc/39/71/67/654397167.db2.gz MUAAMXFGLSPIMU-UHFFFAOYSA-N 1 0 385.283 2.384 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1cc(Cl)ccc1OC(F)F ZINC000893363040 654398292 /nfs/dbraw/zinc/39/82/92/654398292.db2.gz FEMXDUUXKMIEJV-UHFFFAOYSA-N 1 0 377.819 2.197 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccsc1 ZINC000872817890 654398434 /nfs/dbraw/zinc/39/84/34/654398434.db2.gz ISTGOWZSUKTEML-YPAMNDHTSA-N 1 0 385.555 2.006 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000855162298 654399106 /nfs/dbraw/zinc/39/91/06/654399106.db2.gz WFZHERLYACBWEQ-LLVKDONJSA-N 1 0 380.290 2.342 20 0 GEADRO NC(=O)CC1CC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000922511783 654399163 /nfs/dbraw/zinc/39/91/63/654399163.db2.gz NTDQKYLSZKGGFH-UHFFFAOYSA-N 1 0 382.302 2.029 20 0 GEADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)nc1 ZINC000855202241 654399749 /nfs/dbraw/zinc/39/97/49/654399749.db2.gz MDNADVWOYDAQJG-UHFFFAOYSA-N 1 0 382.302 2.465 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000855200759 654399785 /nfs/dbraw/zinc/39/97/85/654399785.db2.gz IWPRHFVOKAMTFD-UHFFFAOYSA-N 1 0 386.949 2.483 20 0 GEADRO Cn1cc([C@H]2CSCCCN2C(=O)NC[C@@]2([NH+](C)C)CCSC2)cn1 ZINC000893411487 654399903 /nfs/dbraw/zinc/39/99/03/654399903.db2.gz FTCVRGSZGMFXLT-WBVHZDCISA-N 1 0 383.587 2.047 20 0 GEADRO O=S1(=O)CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)CC1 ZINC000922529374 654400099 /nfs/dbraw/zinc/40/00/99/654400099.db2.gz TZXMBQZGOAHEMA-HZPDHXFCSA-N 1 0 376.444 2.216 20 0 GEADRO CC(C)(C[NH+]1CCC2(CC1)NC(=O)NC2=O)c1ccc(Br)cc1 ZINC000893418778 654400282 /nfs/dbraw/zinc/40/02/82/654400282.db2.gz LFLYYELPPRGCLB-UHFFFAOYSA-N 1 0 380.286 2.401 20 0 GEADRO CO[C@]1(C[NH2+]Cc2ccc(Br)c3cccnc23)CCS(=O)(=O)C1 ZINC000922618656 654404078 /nfs/dbraw/zinc/40/40/78/654404078.db2.gz FURZGPWWICTFTA-INIZCTEOSA-N 1 0 399.310 2.291 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2c(C)ccc(Br)c2F)CCS(=O)(=O)C1 ZINC000922618391 654404099 /nfs/dbraw/zinc/40/40/99/654404099.db2.gz LWFOSTXCEJRSNO-CQSZACIVSA-N 1 0 380.279 2.190 20 0 GEADRO CO[C@]1(C[NH2+]Cc2ccc(Br)cc2SC)CCS(=O)(=O)C1 ZINC000922620003 654404440 /nfs/dbraw/zinc/40/44/40/654404440.db2.gz XFPRGRYMESRZMJ-AWEZNQCLSA-N 1 0 394.356 2.464 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NC[C@@]1(C)CC1(Cl)Cl)C2 ZINC000922709373 654408773 /nfs/dbraw/zinc/40/87/73/654408773.db2.gz MDYOVWFRHKKQCU-CNRIWFPOSA-N 1 0 378.344 2.349 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000855287862 654410652 /nfs/dbraw/zinc/41/06/52/654410652.db2.gz WKBDIVVIOZOWEP-LBPRGKRZSA-N 1 0 387.933 2.193 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000906062272 654411291 /nfs/dbraw/zinc/41/12/91/654411291.db2.gz XUWGRVGMRUSPTG-DEOSSOPVSA-N 1 0 389.543 2.326 20 0 GEADRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cccc(F)c1I)CC2 ZINC000873037470 654411571 /nfs/dbraw/zinc/41/15/71/654411571.db2.gz VFVLPAFPBKVDLQ-NSHDSACASA-N 1 0 386.212 2.435 20 0 GEADRO OCC1(C[NH2+]Cc2cccc(F)c2I)CCOCC1 ZINC000873092269 654414407 /nfs/dbraw/zinc/41/44/07/654414407.db2.gz DSCGMDLNVGVGCU-UHFFFAOYSA-N 1 0 379.213 2.309 20 0 GEADRO CCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000855361973 654414978 /nfs/dbraw/zinc/41/49/78/654414978.db2.gz XNMLWJWKRIZOND-AWEZNQCLSA-N 1 0 385.917 2.046 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC000873105993 654415659 /nfs/dbraw/zinc/41/56/59/654415659.db2.gz GDYXGEQTRCNNNF-BJOHPYRUSA-N 1 0 375.778 2.365 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)cc1F ZINC000873107648 654416084 /nfs/dbraw/zinc/41/60/84/654416084.db2.gz PERYZXSNGMTLHA-IUCAKERBSA-N 1 0 381.757 2.322 20 0 GEADRO C[C@H](CCNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)[NH+](C)C ZINC000855411019 654417674 /nfs/dbraw/zinc/41/76/74/654417674.db2.gz LRDPVHVMEWMAQQ-GFCCVEGCSA-N 1 0 380.539 2.385 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1Br ZINC000922878346 654418015 /nfs/dbraw/zinc/41/80/15/654418015.db2.gz JCNZZZYMJWDHSY-UHFFFAOYSA-N 1 0 398.301 2.231 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873157414 654419284 /nfs/dbraw/zinc/41/92/84/654419284.db2.gz YETHJTUKKUCEPZ-KNCOVGOOSA-N 1 0 387.933 2.252 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3ncc(Cl)s3)CC2)CC1 ZINC000873176252 654420770 /nfs/dbraw/zinc/42/07/70/654420770.db2.gz ITJSJHQKZMXLPF-UHFFFAOYSA-N 1 0 385.965 2.497 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)ccc1Cl ZINC000873177753 654421059 /nfs/dbraw/zinc/42/10/59/654421059.db2.gz DOACIQIRKQXPTG-CQSZACIVSA-N 1 0 389.304 2.334 20 0 GEADRO CN(CC(=O)N(C)c1cc(C[NH3+])ccn1)C(=O)c1ccc(Br)s1 ZINC000906225195 654422253 /nfs/dbraw/zinc/42/22/53/654422253.db2.gz HBWAVGDRLVLAQB-UHFFFAOYSA-N 1 0 397.298 2.099 20 0 GEADRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cc(Br)nn2C)c1 ZINC000873193432 654422533 /nfs/dbraw/zinc/42/25/33/654422533.db2.gz CFEJPQKPFAJJSV-HWPZZCPQSA-N 1 0 384.274 2.412 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cn(C2CC2)c1=O ZINC000906239923 654423223 /nfs/dbraw/zinc/42/32/23/654423223.db2.gz KWZUZZCOXIAZTK-JSGCOSHPSA-N 1 0 380.286 2.302 20 0 GEADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cc(Br)c3c(c1)OCCCO3)CC2 ZINC000922994230 654423546 /nfs/dbraw/zinc/42/35/46/654423546.db2.gz RXVQBBMRTAHKAJ-LBPRGKRZSA-N 1 0 393.285 2.386 20 0 GEADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc(Br)n[nH]1 ZINC000855528781 654423912 /nfs/dbraw/zinc/42/39/12/654423912.db2.gz HHTRYZAZFXRGPZ-UHFFFAOYSA-N 1 0 378.274 2.209 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000923012138 654424616 /nfs/dbraw/zinc/42/46/16/654424616.db2.gz DYRHIBDEJJPVSP-LLVKDONJSA-N 1 0 376.284 2.127 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1Br ZINC000873323151 654424680 /nfs/dbraw/zinc/42/46/80/654424680.db2.gz FLCSREKOAZGITQ-LRDDRELGSA-N 1 0 381.274 2.215 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873322783 654424789 /nfs/dbraw/zinc/42/47/89/654424789.db2.gz KUDYFUWOBRKZLN-LRDDRELGSA-N 1 0 391.273 2.436 20 0 GEADRO Cc1cc(Br)nc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873330540 654425192 /nfs/dbraw/zinc/42/51/92/654425192.db2.gz XSQCEALYUJEMGR-LBPRGKRZSA-N 1 0 383.290 2.433 20 0 GEADRO Cc1cc(Br)nc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873330539 654425229 /nfs/dbraw/zinc/42/52/29/654425229.db2.gz XSQCEALYUJEMGR-GFCCVEGCSA-N 1 0 383.290 2.433 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000923126126 654427776 /nfs/dbraw/zinc/42/77/76/654427776.db2.gz HGRDAGSOWMFXJX-UONOGXRCSA-N 1 0 382.306 2.397 20 0 GEADRO Cc1c(C(=O)NC[C@H](C2CC2)[NH+](C)C)nnn1-c1ccccc1Br ZINC000906337725 654427993 /nfs/dbraw/zinc/42/79/93/654427993.db2.gz FLOJOLVFOJKCTI-OAHLLOKOSA-N 1 0 392.301 2.408 20 0 GEADRO Cc1[nH+]ccc(N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1Br ZINC000893877134 654428414 /nfs/dbraw/zinc/42/84/14/654428414.db2.gz UPSWOISEJMZFQK-LBPRGKRZSA-N 1 0 388.331 2.451 20 0 GEADRO CC1([NH+]2CCCC2)CCC(NC(=O)NCC[S@](=O)CC(F)(F)F)CC1 ZINC000923185964 654430591 /nfs/dbraw/zinc/43/05/91/654430591.db2.gz GXRGZCGPEVQECJ-FQUVASTISA-N 1 0 383.480 2.394 20 0 GEADRO Cn1cc(CN2CCC([NH+]3CCCCC3)CC2)c(I)n1 ZINC000893919139 654431689 /nfs/dbraw/zinc/43/16/89/654431689.db2.gz GSOWKOWZTWDMSL-UHFFFAOYSA-N 1 0 388.297 2.475 20 0 GEADRO CCC[NH+]1CCC(N(C)Cc2c(I)cnn2C)CC1 ZINC000893968076 654434346 /nfs/dbraw/zinc/43/43/46/654434346.db2.gz WPXOUCFUZKKXQY-UHFFFAOYSA-N 1 0 376.286 2.331 20 0 GEADRO C[C@H]1[C@@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000923223161 654434953 /nfs/dbraw/zinc/43/49/53/654434953.db2.gz CTTONJKJKGYNMQ-GWCFXTLKSA-N 1 0 394.273 2.391 20 0 GEADRO Cn1ncc(I)c1CN1CCC[N@@H+](C(C)(C)C)CC1 ZINC000893981663 654435562 /nfs/dbraw/zinc/43/55/62/654435562.db2.gz WSKKJFOBCHMMGY-UHFFFAOYSA-N 1 0 376.286 2.331 20 0 GEADRO Cn1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)c(I)n1 ZINC000906451188 654438678 /nfs/dbraw/zinc/43/86/78/654438678.db2.gz KVSSCPNETTXCLU-UHFFFAOYSA-N 1 0 398.248 2.233 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000923271637 654440534 /nfs/dbraw/zinc/44/05/34/654440534.db2.gz SVINLFRBOLZVAL-WDEREUQCSA-N 1 0 394.269 2.089 20 0 GEADRO Cn1ncc(I)c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000894039695 654441834 /nfs/dbraw/zinc/44/18/34/654441834.db2.gz LQTYZTZZMZOIHF-CYBMUJFWSA-N 1 0 388.297 2.475 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923301777 654442757 /nfs/dbraw/zinc/44/27/57/654442757.db2.gz XOENRYBQHDHXOM-CQSZACIVSA-N 1 0 384.307 2.130 20 0 GEADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2sc(N3CCOCC3)nc2Cl)CN1 ZINC000894094767 654446715 /nfs/dbraw/zinc/44/67/15/654446715.db2.gz NEXUXMNEUZMYKK-QWHCGFSZSA-N 1 0 384.933 2.124 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367367 654447012 /nfs/dbraw/zinc/44/70/12/654447012.db2.gz UJWPHEOGKOEUMO-NVXWUHKLSA-N 1 0 387.293 2.403 20 0 GEADRO C[N@H+](Cc1ncc(Br)cc1O)C1CCN(c2cnccn2)CC1 ZINC000894114471 654447709 /nfs/dbraw/zinc/44/77/09/654447709.db2.gz OUJCHEIHFHIPTR-UHFFFAOYSA-N 1 0 378.274 2.441 20 0 GEADRO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCc3cc(Br)c(Br)cc3C2)C1 ZINC000923395147 654449009 /nfs/dbraw/zinc/44/90/09/654449009.db2.gz JGERNXCAYPDRNO-BPNCWPANSA-N 1 0 390.119 2.420 20 0 GEADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cn(C)nc1I ZINC000894141221 654450182 /nfs/dbraw/zinc/45/01/82/654450182.db2.gz RPAMQQFIYKPLHZ-FZMZJTMJSA-N 1 0 391.253 2.236 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000906574146 654450255 /nfs/dbraw/zinc/45/02/55/654450255.db2.gz TZVOUPIFVIRYOX-RISCZKNCSA-N 1 0 391.331 2.425 20 0 GEADRO CC(C)[C@@H](CNCc1cn(C)nc1I)[NH+]1CCCC1 ZINC000894169211 654452232 /nfs/dbraw/zinc/45/22/32/654452232.db2.gz YGEDQADNQOIECH-CYBMUJFWSA-N 1 0 376.286 2.235 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCNCC[NH2+]CC1 ZINC000923466791 654454791 /nfs/dbraw/zinc/45/47/91/654454791.db2.gz XWURTUPSHGZDDP-LLVKDONJSA-N 1 0 378.826 2.181 20 0 GEADRO Cn1ncc(I)c1CN[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000894200693 654455275 /nfs/dbraw/zinc/45/52/75/654455275.db2.gz UHJBMLBXKYDSQZ-AWEZNQCLSA-N 1 0 398.292 2.287 20 0 GEADRO Cn1ncc(I)c1CNCC[N@H+](C)C1CCCCC1 ZINC000894207187 654455789 /nfs/dbraw/zinc/45/57/89/654455789.db2.gz SFTKDFZFPQDROI-UHFFFAOYSA-N 1 0 376.286 2.379 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)COc2ccc(Br)c(C)c2)CC1 ZINC000906672826 654458638 /nfs/dbraw/zinc/45/86/38/654458638.db2.gz OKZLEVIVLPKSRC-HNNXBMFYSA-N 1 0 398.345 2.279 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517255 654458621 /nfs/dbraw/zinc/45/86/21/654458621.db2.gz BQXSMDKHWYUIKS-VNQPRFMTSA-N 1 0 380.330 2.337 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC000906673807 654459112 /nfs/dbraw/zinc/45/91/12/654459112.db2.gz XEHZJRRIHZUSPT-UHFFFAOYSA-N 1 0 388.737 2.399 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518371 654459198 /nfs/dbraw/zinc/45/91/98/654459198.db2.gz LCIWYKRVFILSBA-RWMBFGLXSA-N 1 0 399.276 2.160 20 0 GEADRO Cc1c(C(=O)N[C@@H](C)CC[NH+](C)C)nnn1-c1ccccc1Br ZINC000906679209 654459310 /nfs/dbraw/zinc/45/93/10/654459310.db2.gz NPLPGZDHWNFARV-NSHDSACASA-N 1 0 380.290 2.408 20 0 GEADRO O=S1(=O)C[C@H]2[C@@H](C1)[NH2+]CCN2CCSc1cc(Cl)ccc1Cl ZINC000923523083 654459736 /nfs/dbraw/zinc/45/97/36/654459736.db2.gz JJLSOMQWYFUNPY-OLZOCXBDSA-N 1 0 381.350 2.156 20 0 GEADRO Clc1nccc2cc(C[NH2+][C@H]3CCN(CCN4CCOCC4)C3)sc21 ZINC000894255703 654459993 /nfs/dbraw/zinc/45/99/93/654459993.db2.gz IBXULFVUOKAMDV-HNNXBMFYSA-N 1 0 380.945 2.446 20 0 GEADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000906688128 654460245 /nfs/dbraw/zinc/46/02/45/654460245.db2.gz CALYCHARFDCXPZ-UHFFFAOYSA-N 1 0 382.555 2.094 20 0 GEADRO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2I)C12CCC2 ZINC000894270442 654460996 /nfs/dbraw/zinc/46/09/96/654460996.db2.gz ZWUVAJKAWLMSIL-NEPJUHHUSA-N 1 0 375.254 2.462 20 0 GEADRO CCO[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2I)C12CCC2 ZINC000894270444 654461154 /nfs/dbraw/zinc/46/11/54/654461154.db2.gz ZWUVAJKAWLMSIL-RYUDHWBXSA-N 1 0 375.254 2.462 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)CC1 ZINC000906696340 654461455 /nfs/dbraw/zinc/46/14/55/654461455.db2.gz CYHAXSYPJGCKDK-UHFFFAOYSA-N 1 0 380.164 2.014 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000906701693 654462550 /nfs/dbraw/zinc/46/25/50/654462550.db2.gz QYUBGNMPWILDBW-LLVKDONJSA-N 1 0 379.766 2.291 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906718883 654464336 /nfs/dbraw/zinc/46/43/36/654464336.db2.gz ZXNSNQYTSGAOBS-UHFFFAOYSA-N 1 0 398.276 2.484 20 0 GEADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906726906 654464747 /nfs/dbraw/zinc/46/47/47/654464747.db2.gz KKFUZKFXWAHFAE-HOSYDEDBSA-N 1 0 376.869 2.411 20 0 GEADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2I)C1 ZINC000894323368 654465096 /nfs/dbraw/zinc/46/50/96/654465096.db2.gz FAFNAFHSTKSHKX-CRTZDJKQSA-N 1 0 395.310 2.194 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)cc1Br ZINC000906735587 654465655 /nfs/dbraw/zinc/46/56/55/654465655.db2.gz NZVAEZBVVAIWTH-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1Br ZINC000894351002 654468161 /nfs/dbraw/zinc/46/81/61/654468161.db2.gz YDURLUYSCUAQTD-HZPDHXFCSA-N 1 0 396.329 2.498 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(Cl)ccc1Br)C2 ZINC000906754364 654468447 /nfs/dbraw/zinc/46/84/47/654468447.db2.gz AATKYAUFFCCACM-LSJOCFKGSA-N 1 0 386.677 2.379 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC[C@H]2C[C@@]2(C)Br)c1 ZINC000894386064 654472110 /nfs/dbraw/zinc/47/21/10/654472110.db2.gz VDVDVEPBMXWWKN-IUODEOHRSA-N 1 0 390.347 2.112 20 0 GEADRO C[C@H](NC(=O)c1nscc1I)C(C)(C)C[NH+](C)C ZINC000906791818 654472847 /nfs/dbraw/zinc/47/28/47/654472847.db2.gz LKPOOGKOAHRYBK-QMMMGPOBSA-N 1 0 381.283 2.454 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000906804029 654473801 /nfs/dbraw/zinc/47/38/01/654473801.db2.gz WBHIKSDOUVCVFU-ZDUSSCGKSA-N 1 0 379.320 2.283 20 0 GEADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cnc(CC(F)(F)F)s2)NC(=O)NC1=O ZINC000894417752 654474041 /nfs/dbraw/zinc/47/40/41/654474041.db2.gz WFVLOFPYVCWOLI-YMTOWFKASA-N 1 0 376.404 2.201 20 0 GEADRO Cc1cc(OCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000906810446 654474731 /nfs/dbraw/zinc/47/47/31/654474731.db2.gz MFNBCSMWQBZEHV-OAHLLOKOSA-N 1 0 397.313 2.317 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000923686120 654476761 /nfs/dbraw/zinc/47/67/61/654476761.db2.gz GULNTXHLDQHQJA-CYBMUJFWSA-N 1 0 378.416 2.224 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(F)c(C(F)F)c1)CC2 ZINC000923687306 654476835 /nfs/dbraw/zinc/47/68/35/654476835.db2.gz FXJQOAMJRBGZHK-LLVKDONJSA-N 1 0 378.416 2.282 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1sccc1Br)CC2 ZINC000923685958 654476886 /nfs/dbraw/zinc/47/68/86/654476886.db2.gz FVRWOWSSLABWSA-SNVBAGLBSA-N 1 0 395.344 2.029 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873883999 654477139 /nfs/dbraw/zinc/47/71/39/654477139.db2.gz BJFFJJVGAISPBS-UHFFFAOYSA-N 1 0 393.290 2.071 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1 ZINC000906837206 654478205 /nfs/dbraw/zinc/47/82/05/654478205.db2.gz PJCXDLBNTYUIPX-UHFFFAOYSA-N 1 0 379.917 2.214 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@H](CC[NH3+])C3)cc21 ZINC000923699024 654478633 /nfs/dbraw/zinc/47/86/33/654478633.db2.gz JSFFQCCFKKJZEC-NSHDSACASA-N 1 0 386.315 2.300 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CC[C@H]1C[NH3+] ZINC000923699698 654478713 /nfs/dbraw/zinc/47/87/13/654478713.db2.gz NHWAATSVQVHUKN-BDAKNGLRSA-N 1 0 382.711 2.103 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923699828 654478953 /nfs/dbraw/zinc/47/89/53/654478953.db2.gz LZCREWQYATTXDU-NXEZZACHSA-N 1 0 395.294 2.202 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[C@@H]1C[NH3+] ZINC000923699722 654479051 /nfs/dbraw/zinc/47/90/51/654479051.db2.gz LIFRCXPXNXVLGJ-WCQYABFASA-N 1 0 385.917 2.220 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923703503 654479686 /nfs/dbraw/zinc/47/96/86/654479686.db2.gz PXUFTIWRKMZPAD-NWDGAFQWSA-N 1 0 391.331 2.372 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000923704095 654479715 /nfs/dbraw/zinc/47/97/15/654479715.db2.gz RMPVEDYHDSPGSK-PWSUYJOCSA-N 1 0 389.315 2.257 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Br)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923715231 654480381 /nfs/dbraw/zinc/48/03/81/654480381.db2.gz QOPOKZMOGJMXML-VHSXEESVSA-N 1 0 379.707 2.333 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000873916288 654482036 /nfs/dbraw/zinc/48/20/36/654482036.db2.gz RRHFXIOYDBLXQX-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000894517599 654482978 /nfs/dbraw/zinc/48/29/78/654482978.db2.gz MGOXMCURWASEOU-UHFFFAOYSA-N 1 0 384.322 2.306 20 0 GEADRO C[NH+]1CCC(OCC(=O)OCc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000923788074 654483441 /nfs/dbraw/zinc/48/34/41/654483441.db2.gz BYCKEJLTAFIWQA-UHFFFAOYSA-N 1 0 382.258 2.479 20 0 GEADRO C[NH+]1CCC(OCC(=O)OCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000923788977 654483453 /nfs/dbraw/zinc/48/34/53/654483453.db2.gz HPQCONWFPVKHAM-UHFFFAOYSA-N 1 0 386.242 2.332 20 0 GEADRO C[C@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000923795184 654483816 /nfs/dbraw/zinc/48/38/16/654483816.db2.gz JGBVRHGALJWRGK-LBPRGKRZSA-N 1 0 399.285 2.430 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C[N@H+](C)C(C)C)CC2)oc1Cl ZINC000906904594 654485376 /nfs/dbraw/zinc/48/53/76/654485376.db2.gz NSONLPZZISXLBJ-UHFFFAOYSA-N 1 0 392.905 2.461 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(C(C)=O)ccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000873939409 654485912 /nfs/dbraw/zinc/48/59/12/654485912.db2.gz BCCCBDUAQRLAAQ-ZDUSSCGKSA-N 1 0 396.285 2.143 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)nc2n1CCOC2)c1cccs1 ZINC000856728963 654487328 /nfs/dbraw/zinc/48/73/28/654487328.db2.gz BOTGQCAZJIICTD-JTQLQIEISA-N 1 0 399.314 2.270 20 0 GEADRO O=C(NCc1ccsc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894648082 654492383 /nfs/dbraw/zinc/49/23/83/654492383.db2.gz DTZKLIHGZLXIBT-OLZOCXBDSA-N 1 0 388.331 2.251 20 0 GEADRO O=C(NCc1ncc(Br)s1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000923946591 654492379 /nfs/dbraw/zinc/49/23/79/654492379.db2.gz PNMHMIXJKTYGFS-ZJUUUORDSA-N 1 0 391.360 2.285 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cn(C)nc3Cl)CC2)cc1 ZINC000856765936 654493438 /nfs/dbraw/zinc/49/34/38/654493438.db2.gz RPOICKZUIDLDRL-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO Cn1cc(Br)c(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)cc1=O ZINC000923961965 654494297 /nfs/dbraw/zinc/49/42/97/654494297.db2.gz LLDUCAGZKXEKRQ-RYUDHWBXSA-N 1 0 392.257 2.053 20 0 GEADRO O=C(NCCOC(F)(F)C(F)(F)F)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000923974118 654494870 /nfs/dbraw/zinc/49/48/70/654494870.db2.gz QRROTMIVGJOHQX-ZJUUUORDSA-N 1 0 377.379 2.037 20 0 GEADRO CC[NH+]1CCC(NC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000856831354 654496361 /nfs/dbraw/zinc/49/63/61/654496361.db2.gz FHLHDWUVNVSNCW-UHFFFAOYSA-N 1 0 382.302 2.146 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856841243 654496992 /nfs/dbraw/zinc/49/69/92/654496992.db2.gz DUOWHOFREXBUPZ-HOTGVXAUSA-N 1 0 394.313 2.289 20 0 GEADRO C[C@@H](CNC(=O)N1CC(O)(c2cccc(Br)c2)C1)C[NH+]1CCCC1 ZINC000856842174 654497043 /nfs/dbraw/zinc/49/70/43/654497043.db2.gz CUFSZHVCLYZIQT-AWEZNQCLSA-N 1 0 396.329 2.394 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000894788892 654499471 /nfs/dbraw/zinc/49/94/71/654499471.db2.gz CVYCIVTUXUAAJN-XJKSGUPXSA-N 1 0 397.260 2.281 20 0 GEADRO CC(C)[C@@H]([NH2+]Cc1cn(C)nc1I)C1(CO)CCC1 ZINC000894833827 654501751 /nfs/dbraw/zinc/50/17/51/654501751.db2.gz MWYSNGCMYVNTQE-GFCCVEGCSA-N 1 0 377.270 2.302 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907035848 654502209 /nfs/dbraw/zinc/50/22/09/654502209.db2.gz VWJIFTYWVAPDFY-GFCCVEGCSA-N 1 0 386.309 2.129 20 0 GEADRO Cc1c(Br)cc(-c2noc([C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c(=O)n1C ZINC000924171076 654503756 /nfs/dbraw/zinc/50/37/56/654503756.db2.gz OMXBTDZNDMWOED-GXFFZTMASA-N 1 0 395.257 2.042 20 0 GEADRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1c(I)cnn1C)C(C)C ZINC000894899961 654504336 /nfs/dbraw/zinc/50/43/36/654504336.db2.gz DCPYRYRSNDWSSC-FZMZJTMJSA-N 1 0 379.286 2.403 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000894894601 654504340 /nfs/dbraw/zinc/50/43/40/654504340.db2.gz JHEXWXUIJASFHO-NSHDSACASA-N 1 0 375.254 2.464 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000894907591 654504610 /nfs/dbraw/zinc/50/46/10/654504610.db2.gz VDTHOOKMZHOCAY-IUODEOHRSA-N 1 0 398.248 2.430 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC000907068784 654506591 /nfs/dbraw/zinc/50/65/91/654506591.db2.gz QLVDGBJQBVAHJT-ZDUSSCGKSA-N 1 0 387.322 2.193 20 0 GEADRO Cc1cc(Br)c(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000907069356 654507093 /nfs/dbraw/zinc/50/70/93/654507093.db2.gz VFKNDPFWMSMCIE-LBPRGKRZSA-N 1 0 375.332 2.325 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+]Cc2cc(Cl)cc(Br)c2)nn1 ZINC000894947448 654507569 /nfs/dbraw/zinc/50/75/69/654507569.db2.gz NAMROFXVCBHWJN-UHFFFAOYSA-N 1 0 386.681 2.363 20 0 GEADRO C[NH+](C)C[C@@H]1NC(=O)N(Cc2ccc(Br)cc2C(F)(F)F)C1=O ZINC000924535479 654516465 /nfs/dbraw/zinc/51/64/65/654516465.db2.gz RMGAHOJWBJGNNT-NSHDSACASA-N 1 0 394.191 2.450 20 0 GEADRO Cn1cc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(Br)n1 ZINC000924556290 654517510 /nfs/dbraw/zinc/51/75/10/654517510.db2.gz RUJDOCIYJKMRJZ-CQSZACIVSA-N 1 0 384.322 2.343 20 0 GEADRO CCn1c2ccc(Br)cc2nc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907193211 654519321 /nfs/dbraw/zinc/51/93/21/654519321.db2.gz VCJXRMCVXQQETB-UHFFFAOYSA-N 1 0 394.317 2.251 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907215351 654520690 /nfs/dbraw/zinc/52/06/90/654520690.db2.gz DZEPOFXNIOWGHI-GUYCJALGSA-N 1 0 398.345 2.135 20 0 GEADRO C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000924768942 654524338 /nfs/dbraw/zinc/52/43/38/654524338.db2.gz IRXAMTIYJHEAGE-OLZOCXBDSA-N 1 0 376.469 2.382 20 0 GEADRO O=C(CN1CSCCSC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000907257325 654524477 /nfs/dbraw/zinc/52/44/77/654524477.db2.gz AJKQMQWPYUNLJY-UHFFFAOYSA-N 1 0 387.615 2.034 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1(Br)CC1 ZINC000924790472 654524755 /nfs/dbraw/zinc/52/47/55/654524755.db2.gz HPOATPYGPZTTTO-WCQYABFASA-N 1 0 383.286 2.217 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)s1 ZINC000924838058 654525863 /nfs/dbraw/zinc/52/58/63/654525863.db2.gz YWSXMQIDDRTBFM-OAHLLOKOSA-N 1 0 388.555 2.206 20 0 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CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1 ZINC000926924919 654584582 /nfs/dbraw/zinc/58/45/82/654584582.db2.gz BXVQZALOCAOJCX-GXTWGEPZSA-N 1 0 379.448 2.272 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)cc1 ZINC000926954363 654584830 /nfs/dbraw/zinc/58/48/30/654584830.db2.gz RDEJJJYPAGQHBG-CYBMUJFWSA-N 1 0 376.544 2.170 20 0 GEADRO CN(C)[C@H](CC[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)C(F)(F)F ZINC000926958499 654584838 /nfs/dbraw/zinc/58/48/38/654584838.db2.gz NHIXYLOGLGSMIH-HUUCEWRRSA-N 1 0 379.448 2.184 20 0 GEADRO CN(C)[C@@H](CC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)C(F)(F)F ZINC000926958498 654584874 /nfs/dbraw/zinc/58/48/74/654584874.db2.gz NHIXYLOGLGSMIH-GJZGRUSLSA-N 1 0 379.448 2.184 20 0 GEADRO C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000926964793 654585118 /nfs/dbraw/zinc/58/51/18/654585118.db2.gz UAVGQVDGXSVPGX-DOMZBBRYSA-N 1 0 381.464 2.470 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC000926995937 654588958 /nfs/dbraw/zinc/58/89/58/654588958.db2.gz PLWMGGKVRNFWRZ-YOFIQYCBSA-N 1 0 375.531 2.069 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000927008656 654589215 /nfs/dbraw/zinc/58/92/15/654589215.db2.gz TYWXCLJXSYMQDL-QWHCGFSZSA-N 1 0 376.320 2.080 20 0 GEADRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000927029987 654590266 /nfs/dbraw/zinc/59/02/66/654590266.db2.gz VGXXRCUDCGMIDH-AAEUAGOBSA-N 1 0 394.356 2.371 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000927037632 654590626 /nfs/dbraw/zinc/59/06/26/654590626.db2.gz AEQKVIUERCUPLG-RJCAOGMDSA-N 1 0 386.539 2.207 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000907935184 654590910 /nfs/dbraw/zinc/59/09/10/654590910.db2.gz OZCDXDKJFZXQHA-AWEZNQCLSA-N 1 0 384.933 2.469 20 0 GEADRO C[NH+]1CCC2(CCCN(C(=O)c3cc4ncc(Br)cn4n3)C2)CC1 ZINC000907959807 654593135 /nfs/dbraw/zinc/59/31/35/654593135.db2.gz LZWJSQWPZAQQIF-UHFFFAOYSA-N 1 0 392.301 2.440 20 0 GEADRO CCCN(C(=O)NCC1(n2cc(Br)cn2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000927112768 654593900 /nfs/dbraw/zinc/59/39/00/654593900.db2.gz RGOMCQPUABXEQN-CQSZACIVSA-N 1 0 384.322 2.260 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927114649 654594338 /nfs/dbraw/zinc/59/43/38/654594338.db2.gz WIQNCYPKFYHXMI-HIFRSBDPSA-N 1 0 396.333 2.403 20 0 GEADRO Cc1cc(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)nn1-c1ccc(Cl)cc1Cl ZINC000927231679 654596372 /nfs/dbraw/zinc/59/63/72/654596372.db2.gz PLANCGJPYCYPQR-LBPRGKRZSA-N 1 0 382.251 2.474 20 0 GEADRO C[NH+](C)C[C@H]1NC(=O)N(c2cc(Br)cc(Br)c2)C1=O ZINC000927257123 654597275 /nfs/dbraw/zinc/59/72/75/654597275.db2.gz HQDDEZWRPGQAHN-SNVBAGLBSA-N 1 0 391.063 2.198 20 0 GEADRO C[NH+](C)C[C@H]1NC(=O)N(c2ccc(Br)c(Br)c2)C1=O ZINC000927262334 654597393 /nfs/dbraw/zinc/59/73/93/654597393.db2.gz AFKQVJDDMJQBEM-SNVBAGLBSA-N 1 0 391.063 2.198 20 0 GEADRO Cn1cc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000927624441 654606829 /nfs/dbraw/zinc/60/68/29/654606829.db2.gz YDKHNNWNHQSXRQ-AWEZNQCLSA-N 1 0 377.286 2.321 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nscc1I ZINC000908147518 654608606 /nfs/dbraw/zinc/60/86/06/654608606.db2.gz RCUVYHQGJIVLTO-NXEZZACHSA-N 1 0 391.278 2.447 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nscc1I ZINC000908147523 654608629 /nfs/dbraw/zinc/60/86/29/654608629.db2.gz RCUVYHQGJIVLTO-VHSXEESVSA-N 1 0 391.278 2.447 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CCSC[C@@H]1c1nccs1 ZINC000927641154 654609476 /nfs/dbraw/zinc/60/94/76/654609476.db2.gz NTUMZKJOERSUFW-HUUCEWRRSA-N 1 0 382.555 2.196 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1c(F)c(F)c(Br)c(F)c1F ZINC000908200846 654612725 /nfs/dbraw/zinc/61/27/25/654612725.db2.gz ASXBYZUTNKDNMS-ZETCQYMHSA-N 1 0 399.182 2.192 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000927824322 654615876 /nfs/dbraw/zinc/61/58/76/654615876.db2.gz MGJPHCFUWWHJHQ-DGCLKSJQSA-N 1 0 382.302 2.312 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[C@H]1CC[NH3+] ZINC000927830205 654616186 /nfs/dbraw/zinc/61/61/86/654616186.db2.gz ZGWTXEZAIOXHFV-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000927828494 654616285 /nfs/dbraw/zinc/61/62/85/654616285.db2.gz CCAZZNYDWIENSM-GHMZBOCLSA-N 1 0 386.265 2.278 20 0 GEADRO CC(C)(C)c1cnc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000927844919 654616667 /nfs/dbraw/zinc/61/66/67/654616667.db2.gz JHEFIEGMGLNNAX-BDAKNGLRSA-N 1 0 378.420 2.117 20 0 GEADRO CSc1c(F)cccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927842018 654616751 /nfs/dbraw/zinc/61/67/51/654616751.db2.gz KFUNCLGVMSCUDX-WCBMZHEXSA-N 1 0 379.379 2.224 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2nc(C3CCC3)cs2)CC[C@@H]1C(F)(F)F ZINC000927846003 654616949 /nfs/dbraw/zinc/61/69/49/654616949.db2.gz PCGBBCKLZBKGQG-VHSXEESVSA-N 1 0 376.404 2.087 20 0 GEADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000927849326 654617336 /nfs/dbraw/zinc/61/73/36/654617336.db2.gz ZZEBJONKRHXIND-WPRPVWTQSA-N 1 0 394.191 2.126 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000927849460 654617392 /nfs/dbraw/zinc/61/73/92/654617392.db2.gz SBXGBOWYZJHJLF-LHLIQPBNSA-N 1 0 385.720 2.295 20 0 GEADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CCC(N)=O)CC1 ZINC000908262158 654617871 /nfs/dbraw/zinc/61/78/71/654617871.db2.gz QGQFUPHJMYSFHX-UHFFFAOYSA-N 1 0 382.302 2.137 20 0 GEADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000927857200 654617938 /nfs/dbraw/zinc/61/79/38/654617938.db2.gz IQHBDULALZYFCE-CYBMUJFWSA-N 1 0 375.416 2.241 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)C(C)C ZINC000927864443 654618200 /nfs/dbraw/zinc/61/82/00/654618200.db2.gz CFHQRZTUOQANIH-UHFFFAOYSA-N 1 0 377.819 2.379 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F)C(C)C ZINC000927865675 654618419 /nfs/dbraw/zinc/61/84/19/654618419.db2.gz XWPLCZOKKOVHQK-UHFFFAOYSA-N 1 0 377.819 2.379 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1ccc(Cl)cc1Cl)CC2 ZINC000927875580 654619117 /nfs/dbraw/zinc/61/91/17/654619117.db2.gz CFOTVCCPOCGGIE-LBPRGKRZSA-N 1 0 386.279 2.288 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000927889212 654620030 /nfs/dbraw/zinc/62/00/30/654620030.db2.gz NZLSXYKZNJQECD-LLVKDONJSA-N 1 0 391.269 2.133 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000927890514 654620321 /nfs/dbraw/zinc/62/03/21/654620321.db2.gz JJEBXKVNNZFRBU-QWRGUYRKSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[C@@H]1C[NH3+] ZINC000927893954 654620677 /nfs/dbraw/zinc/62/06/77/654620677.db2.gz ZCNKUFCNYQCRKC-CMPLNLGQSA-N 1 0 395.301 2.103 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC000927894387 654620901 /nfs/dbraw/zinc/62/09/01/654620901.db2.gz LPMIKVOAVNAZCR-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1Br ZINC000927924694 654621769 /nfs/dbraw/zinc/62/17/69/654621769.db2.gz DNJOCIOLVATRLO-QGZVFWFLSA-N 1 0 396.285 2.141 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)NC2(Cc3ccccc3Br)CC2)C1 ZINC000908361351 654622841 /nfs/dbraw/zinc/62/28/41/654622841.db2.gz ACELIXBEXHKQMF-UHFFFAOYSA-N 1 0 380.330 2.134 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cnnn1-c1ccccc1Br ZINC000908412489 654627731 /nfs/dbraw/zinc/62/77/31/654627731.db2.gz DEBAXSJBFBDBLI-AAEUAGOBSA-N 1 0 378.274 2.194 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(Br)cn2ccnc12 ZINC000928100606 654630963 /nfs/dbraw/zinc/63/09/63/654630963.db2.gz IUSHPIYPYNMKBS-ZIAGYGMSSA-N 1 0 395.326 2.406 20 0 GEADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928102594 654631322 /nfs/dbraw/zinc/63/13/22/654631322.db2.gz NIAWPJRFDAZNPI-RCBQFDQVSA-N 1 0 381.929 2.154 20 0 GEADRO CO[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)s1 ZINC000908539896 654633336 /nfs/dbraw/zinc/63/33/36/654633336.db2.gz DTSZWKOPOASKBZ-BXUZGUMPSA-N 1 0 391.331 2.161 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000928359793 654643645 /nfs/dbraw/zinc/64/36/45/654643645.db2.gz SPUOEHOTKQXGKA-WBVHZDCISA-N 1 0 382.302 2.354 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000928459102 654648378 /nfs/dbraw/zinc/64/83/78/654648378.db2.gz YWGIJOOFEZIDDD-LRDDRELGSA-N 1 0 387.933 2.191 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000909047066 654651320 /nfs/dbraw/zinc/65/13/20/654651320.db2.gz DLMLLDJWUANAJH-OAHLLOKOSA-N 1 0 384.293 2.185 20 0 GEADRO O=C(CNC(=O)c1c(Cl)cc(F)cc1Cl)NCC[NH+]1CCCCC1 ZINC000909317304 654659337 /nfs/dbraw/zinc/65/93/37/654659337.db2.gz WOEVMDVSGOCBQH-UHFFFAOYSA-N 1 0 376.259 2.464 20 0 GEADRO O=C(CNC(=O)c1cc2ccnc(Cl)c2s1)NCC[NH+]1CCCCC1 ZINC000909310443 654659352 /nfs/dbraw/zinc/65/93/52/654659352.db2.gz CYFFXWAADWDDIZ-UHFFFAOYSA-N 1 0 380.901 2.282 20 0 GEADRO O=C(CNC(=O)c1cc(F)c(Cl)cc1Cl)NCC[NH+]1CCCCC1 ZINC000909327507 654660084 /nfs/dbraw/zinc/66/00/84/654660084.db2.gz NYEJMYDUVJOOBQ-UHFFFAOYSA-N 1 0 376.259 2.464 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)c1ccnn1CC[NH+](C)C ZINC000909410779 654663744 /nfs/dbraw/zinc/66/37/44/654663744.db2.gz JGZVAOMXYFOASW-INIZCTEOSA-N 1 0 395.301 2.013 20 0 GEADRO C[N@@H+]1CCCN(C(=O)c2cc(Br)cnc2Br)CC1 ZINC000929225398 654676171 /nfs/dbraw/zinc/67/61/71/654676171.db2.gz RQGMZNKISGLVKM-UHFFFAOYSA-N 1 0 377.080 2.384 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)COC1CC[NH+](C)CC1 ZINC000929334154 654679932 /nfs/dbraw/zinc/67/99/32/654679932.db2.gz BESVPVICSYREPP-UHFFFAOYSA-N 1 0 385.302 2.397 20 0 GEADRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2ccc(Br)nc2N)C[C@@H](C)O1 ZINC000929351306 654680820 /nfs/dbraw/zinc/68/08/20/654680820.db2.gz GMMFXQAADLQJMZ-UMVBOHGHSA-N 1 0 383.334 2.500 20 0 GEADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929383048 654681976 /nfs/dbraw/zinc/68/19/76/654681976.db2.gz KJYFQZQAPBRDFA-GOEBONIOSA-N 1 0 376.266 2.313 20 0 GEADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929383046 654681982 /nfs/dbraw/zinc/68/19/82/654681982.db2.gz KJYFQZQAPBRDFA-GDBMZVCRSA-N 1 0 376.266 2.313 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nc(C(C)C)ncc2Br)C1 ZINC000929472465 654685228 /nfs/dbraw/zinc/68/52/28/654685228.db2.gz QBKFVKSZCOVRLA-CYBMUJFWSA-N 1 0 399.333 2.449 20 0 GEADRO C[N@H+](C[C@@H](O)C[C@@]1(O)CCOC1)CC1(c2ccc(Br)cc2)CC1 ZINC000929701638 654690660 /nfs/dbraw/zinc/69/06/60/654690660.db2.gz LIVRXUOCDWXPSH-WMZOPIPTSA-N 1 0 384.314 2.315 20 0 GEADRO COC[C@](C)(CCO)[NH2+]Cc1cc(OC)c(C(=O)OC)cc1Br ZINC000929826734 654692694 /nfs/dbraw/zinc/69/26/94/654692694.db2.gz ZTFSBZSQTMEFIQ-INIZCTEOSA-N 1 0 390.274 2.121 20 0 GEADRO COCC(COC)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000929884931 654694129 /nfs/dbraw/zinc/69/41/29/654694129.db2.gz GSIQAWKHVRBQLN-UHFFFAOYSA-N 1 0 386.290 2.156 20 0 GEADRO CON1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1=O ZINC000929927583 654695285 /nfs/dbraw/zinc/69/52/85/654695285.db2.gz SZBATEYNIKCYHB-OAHLLOKOSA-N 1 0 396.285 2.262 20 0 GEADRO NS(=O)(=O)C1CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000930119287 654699806 /nfs/dbraw/zinc/69/98/06/654699806.db2.gz TXRMTOYDTSAYOZ-UHFFFAOYSA-N 1 0 391.331 2.361 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000930150865 654700541 /nfs/dbraw/zinc/70/05/41/654700541.db2.gz QWTAWPOPSFVGDK-UHFFFAOYSA-N 1 0 394.273 2.024 20 0 GEADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F ZINC000930248606 654702919 /nfs/dbraw/zinc/70/29/19/654702919.db2.gz KTVMXRCHJDGUQG-JTQLQIEISA-N 1 0 379.345 2.032 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000910568580 654703195 /nfs/dbraw/zinc/70/31/95/654703195.db2.gz LSAYWLYMVLVNCS-UHFFFAOYSA-N 1 0 388.306 2.047 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000930295776 654704898 /nfs/dbraw/zinc/70/48/98/654704898.db2.gz MMUZPZXSDKWCSV-GFCCVEGCSA-N 1 0 385.306 2.343 20 0 GEADRO C[NH+]1CCC(OCC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000930336889 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SUINOUFNMZTNCP-YDHLFZDLSA-N 1 0 384.464 2.280 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)c1ccc(Cl)cc1Cl ZINC000910953580 654714428 /nfs/dbraw/zinc/71/44/28/654714428.db2.gz SJGQTBRHJOXHCH-LLVKDONJSA-N 1 0 388.295 2.137 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccncc1Br)c1cccnc1 ZINC000930619114 654715293 /nfs/dbraw/zinc/71/52/93/654715293.db2.gz QDLZIOBETQUKEO-CQSZACIVSA-N 1 0 378.274 2.476 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911027600 654715550 /nfs/dbraw/zinc/71/55/50/654715550.db2.gz FDYSKVZAQSPDAF-DZGCQCFKSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C[C@H]1CC[NH3+] ZINC000911040931 654715935 /nfs/dbraw/zinc/71/59/35/654715935.db2.gz UDCPRGRGWGGQBC-TZMCWYRMSA-N 1 0 386.323 2.486 20 0 GEADRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000911068798 654716415 /nfs/dbraw/zinc/71/64/15/654716415.db2.gz VGTVLCOXVSWNRB-UPJWGTAASA-N 1 0 377.794 2.255 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000911112431 654717265 /nfs/dbraw/zinc/71/72/65/654717265.db2.gz OWXGISSIMRUEGB-YRILPIOLSA-N 1 0 379.913 2.333 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@H]1CCSc3ccc(Cl)cc31)C2 ZINC000911113686 654717294 /nfs/dbraw/zinc/71/72/94/654717294.db2.gz RVEXQWRJDNOCPC-NHULGOKLSA-N 1 0 379.913 2.331 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000911154778 654718382 /nfs/dbraw/zinc/71/83/82/654718382.db2.gz DSWPNFPMHRCNCT-NILFDRSVSA-N 1 0 384.307 2.396 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccncc2I)C1 ZINC000930748127 654718894 /nfs/dbraw/zinc/71/88/94/654718894.db2.gz MXXZTRSXWPFHJM-NSHDSACASA-N 1 0 388.253 2.055 20 0 GEADRO Cc1cc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cnc1Br ZINC000930779933 654719635 /nfs/dbraw/zinc/71/96/35/654719635.db2.gz SEFKVWMSCJUQQP-KBPBESRZSA-N 1 0 383.290 2.215 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911284874 654721528 /nfs/dbraw/zinc/72/15/28/654721528.db2.gz RJBZDZVETRROLM-HNNXBMFYSA-N 1 0 397.317 2.012 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000911338156 654722633 /nfs/dbraw/zinc/72/26/33/654722633.db2.gz YZTDHCBEUWATOD-CZMCAQCFSA-N 1 0 377.329 2.010 20 0 GEADRO O[C@@H](C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)C[C@@]1(O)CCOC1 ZINC000930962006 654724777 /nfs/dbraw/zinc/72/47/77/654724777.db2.gz JGFGUNRMWALZCL-PBHICJAKSA-N 1 0 375.296 2.018 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000930977272 654725492 /nfs/dbraw/zinc/72/54/92/654725492.db2.gz BJVCZXKVYBOERV-AWEZNQCLSA-N 1 0 382.302 2.479 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549872 654725891 /nfs/dbraw/zinc/72/58/91/654725891.db2.gz SANBQDYNSHESSB-OWCLPIDISA-N 1 0 394.313 2.195 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000911563843 654726482 /nfs/dbraw/zinc/72/64/82/654726482.db2.gz UEHKQCFHGVSTSK-LKTVYLICSA-N 1 0 398.276 2.105 20 0 GEADRO CN(C(=O)C(=O)NCc1ccccc1SC(F)(F)F)C1CC[NH2+]CC1 ZINC000911576114 654726895 /nfs/dbraw/zinc/72/68/95/654726895.db2.gz NISZNXSLXIXLSC-UHFFFAOYSA-N 1 0 375.416 2.125 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000931088564 654729074 /nfs/dbraw/zinc/72/90/74/654729074.db2.gz GNGXTPJIVIESCP-UHFFFAOYSA-N 1 0 379.448 2.429 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)c1cnn(Cc2ccccc2)c1Br ZINC000911706560 654730190 /nfs/dbraw/zinc/73/01/90/654730190.db2.gz GQKZNKBHMLESIH-AWEZNQCLSA-N 1 0 377.286 2.423 20 0 GEADRO CCCN(C(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[C@H]1CC[NH2+]C1 ZINC000911768884 654731682 /nfs/dbraw/zinc/73/16/82/654731682.db2.gz SFUJPMRKGZBXPD-WCQYABFASA-N 1 0 380.286 2.475 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000911776622 654731888 /nfs/dbraw/zinc/73/18/88/654731888.db2.gz ARVYJXSLOTUHQP-CQSZACIVSA-N 1 0 380.286 2.333 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000911778349 654731968 /nfs/dbraw/zinc/73/19/68/654731968.db2.gz RWTUIGJDARMNRA-CQSZACIVSA-N 1 0 377.286 2.375 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000911822963 654733247 /nfs/dbraw/zinc/73/32/47/654733247.db2.gz KUSDKFMACVFZBX-VXGBXAGGSA-N 1 0 378.274 2.229 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)N[C@@H]2CCCc3ccccc32)c1=O ZINC000911936946 654736644 /nfs/dbraw/zinc/73/66/44/654736644.db2.gz HVCMKGIPPSJPHR-MRXNPFEDSA-N 1 0 390.281 2.377 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000911941355 654736903 /nfs/dbraw/zinc/73/69/03/654736903.db2.gz NYXPFQXJXLPDDR-MRXNPFEDSA-N 1 0 375.296 2.332 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@]23CC[C@H]2C[NH2+]C3)ccc1Cl ZINC000911993398 654739016 /nfs/dbraw/zinc/73/90/16/654739016.db2.gz URQBBQXEZAFYDJ-SJCJKPOMSA-N 1 0 385.917 2.309 20 0 GEADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1=CCC[NH2+]CC1 ZINC000912014913 654739894 /nfs/dbraw/zinc/73/98/94/654739894.db2.gz QKKNWZFCMNQOEL-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/74/33/74/654743374.db2.gz VTYZUSWZGGDKBX-HNNXBMFYSA-N 1 0 375.282 2.010 20 0 GEADRO COCCOCCCNC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912121508 654743378 /nfs/dbraw/zinc/74/33/78/654743378.db2.gz FSLCJBDHTADNAN-UHFFFAOYSA-N 1 0 399.329 2.240 20 0 GEADRO Cc1cnc(Br)c(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000931507834 654744582 /nfs/dbraw/zinc/74/45/82/654744582.db2.gz DZTRUUFJUXMZSO-KGLIPLIRSA-N 1 0 383.290 2.215 20 0 GEADRO Nc1cc[nH+]c2c1CN(CCS(=O)(=O)c1ccc(Br)cc1)CC2 ZINC000931509494 654744667 /nfs/dbraw/zinc/74/46/67/654744667.db2.gz PMOJJVDVOPAHRQ-UHFFFAOYSA-N 1 0 396.310 2.258 20 0 GEADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3c[nH]nc3Br)c2)CC1 ZINC000912190205 654745554 /nfs/dbraw/zinc/74/55/54/654745554.db2.gz FYYZFJDPZJQZAK-UHFFFAOYSA-N 1 0 378.274 2.172 20 0 GEADRO Cc1ccc(NC(=O)CN2CCSC[C@H]2C(C)(C)C)cc1S(N)(=O)=O ZINC000931589663 654748178 /nfs/dbraw/zinc/74/81/78/654748178.db2.gz HSVXUEUPNZFQEB-HNNXBMFYSA-N 1 0 385.555 2.044 20 0 GEADRO CCOc1cccc(NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c1 ZINC000912274363 654748406 /nfs/dbraw/zinc/74/84/06/654748406.db2.gz UMGACKAYVZZJPG-UHFFFAOYSA-N 1 0 380.242 2.221 20 0 GEADRO CC(C)(C)[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000931597916 654748614 /nfs/dbraw/zinc/74/86/14/654748614.db2.gz YLERVAJIBOQIMP-HNNXBMFYSA-N 1 0 385.555 2.126 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)CCC1 ZINC000931609335 654749326 /nfs/dbraw/zinc/74/93/26/654749326.db2.gz CWBGSJJDSFFOMY-OCCSQVGLSA-N 1 0 386.480 2.262 20 0 GEADRO CN1CCN(c2ccc(-c3nnc(Br)o3)cc2)CC[N@H+](C)CC1 ZINC000912358083 654750989 /nfs/dbraw/zinc/75/09/89/654750989.db2.gz XNVWFPNSWCDDDW-UHFFFAOYSA-N 1 0 380.290 2.183 20 0 GEADRO C[C@@]1(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)C[C@@H](O)C[NH2+]1 ZINC000912360162 654751155 /nfs/dbraw/zinc/75/11/55/654751155.db2.gz ZXORISWROPCRFO-CLAHSXSESA-N 1 0 375.372 2.289 20 0 GEADRO C[C@]1(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)C[C@H](O)C[NH2+]1 ZINC000912360163 654751298 /nfs/dbraw/zinc/75/12/98/654751298.db2.gz ZXORISWROPCRFO-RMLUDKJBSA-N 1 0 375.372 2.289 20 0 GEADRO C[C@]1(NC(=O)c2cc(Br)cn(C3CC3)c2=O)C[NH+]2CCC1CC2 ZINC000912375795 654751359 /nfs/dbraw/zinc/75/13/59/654751359.db2.gz ZFEBURKKKGXLCW-KRWDZBQOSA-N 1 0 380.286 2.160 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000912394264 654752244 /nfs/dbraw/zinc/75/22/44/654752244.db2.gz LQMFHCKSHWUHAP-BSWAZPDLSA-N 1 0 382.913 2.026 20 0 GEADRO COC1(OC)CCOC[C@@H]1[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000931672869 654752759 /nfs/dbraw/zinc/75/27/59/654752759.db2.gz KMRJYUHVFGXSFT-AWEZNQCLSA-N 1 0 387.274 2.145 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000931689529 654753570 /nfs/dbraw/zinc/75/35/70/654753570.db2.gz ZDMRDFRKITUJNK-STQMWFEESA-N 1 0 383.290 2.215 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N2CCOc3ccc(Br)cc32)n1 ZINC000912433623 654753958 /nfs/dbraw/zinc/75/39/58/654753958.db2.gz WAIXZCLYIVMYJJ-UHFFFAOYSA-N 1 0 379.258 2.246 20 0 GEADRO C[C@]1(Cc2cc(F)c(F)c(F)c2)CCC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000931696075 654754012 /nfs/dbraw/zinc/75/40/12/654754012.db2.gz XNBWKWDSGFVNNY-QGZVFWFLSA-N 1 0 376.444 2.392 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)c1ccc(Br)cc1 ZINC000912455393 654754648 /nfs/dbraw/zinc/75/46/48/654754648.db2.gz VKPKZLDRGGBNRJ-SEBNEYGDSA-N 1 0 381.270 2.153 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000931760502 654755996 /nfs/dbraw/zinc/75/59/96/654755996.db2.gz GNXISCPILZFJHE-UHFFFAOYSA-N 1 0 381.274 2.351 20 0 GEADRO COc1c(C)ccc(NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c1C ZINC000912482608 654756139 /nfs/dbraw/zinc/75/61/39/654756139.db2.gz RHNRKXMEVNNUGU-UHFFFAOYSA-N 1 0 394.269 2.447 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000912510634 654757724 /nfs/dbraw/zinc/75/77/24/654757724.db2.gz KIQDHAYFIMBAIO-SJORKVTESA-N 1 0 395.297 2.070 20 0 GEADRO CC[N@H+](CCNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C1CC1 ZINC000931835776 654758725 /nfs/dbraw/zinc/75/87/25/654758725.db2.gz JTSOXYZQYSSMFQ-CQSZACIVSA-N 1 0 380.286 2.475 20 0 GEADRO Cc1sc(Br)nc1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912586627 654760140 /nfs/dbraw/zinc/76/01/40/654760140.db2.gz BHXOTTOYHKJHCW-UHFFFAOYSA-N 1 0 390.347 2.427 20 0 GEADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2nscc2I)C12CCC2 ZINC000912600443 654760616 /nfs/dbraw/zinc/76/06/16/654760616.db2.gz LZGDGFFNDCOCJZ-UWVGGRQHSA-N 1 0 391.278 2.350 20 0 GEADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)N(C)CC[N@H+](C)CCO ZINC000912608608 654761017 /nfs/dbraw/zinc/76/10/17/654761017.db2.gz WOQSEQCFJYASFO-UHFFFAOYSA-N 1 0 396.285 2.409 20 0 GEADRO O=C(CN1CC[C@@]2(CC(F)(F)C2(F)F)C1)NC(=O)NCc1cccs1 ZINC000931918650 654761913 /nfs/dbraw/zinc/76/19/13/654761913.db2.gz VZMDZQBXYGBMFI-CYBMUJFWSA-N 1 0 379.379 2.440 20 0 GEADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000912650424 654761993 /nfs/dbraw/zinc/76/19/93/654761993.db2.gz MBXBDVKVCQQTTJ-CHWSQXEVSA-N 1 0 387.933 2.473 20 0 GEADRO Cc1nc([C@@H]2CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)no1 ZINC000931951421 654762426 /nfs/dbraw/zinc/76/24/26/654762426.db2.gz ZKPMORARHQOJAI-OCCSQVGLSA-N 1 0 382.258 2.370 20 0 GEADRO CN1CCN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)[C@H](CO)C1 ZINC000912739025 654765846 /nfs/dbraw/zinc/76/58/46/654765846.db2.gz NYNZSNHJAYFUIL-INIZCTEOSA-N 1 0 379.913 2.065 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2nc(C(C)C)ncc2Br)C1 ZINC000932149725 654768135 /nfs/dbraw/zinc/76/81/35/654768135.db2.gz KSUPYBJMADXSPC-LBPRGKRZSA-N 1 0 385.306 2.203 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)cc(Br)c1F ZINC000932185858 654769263 /nfs/dbraw/zinc/76/92/63/654769263.db2.gz HGLZZCXSTSJLIR-SNVBAGLBSA-N 1 0 376.245 2.093 20 0 GEADRO C[NH+]1CCC(NC(=O)CN[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932206275 654770053 /nfs/dbraw/zinc/77/00/53/654770053.db2.gz ZWRVIVNFAYLLLJ-HNNXBMFYSA-N 1 0 382.302 2.073 20 0 GEADRO Cn1cc(C2=NC[C@H](C[NH2+][C@H]3CCOc4ccc(Br)cc43)O2)cn1 ZINC000932204419 654770125 /nfs/dbraw/zinc/77/01/25/654770125.db2.gz BOIQAPFQOKBTLV-ZFWWWQNUSA-N 1 0 391.269 2.441 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCOc2ccc(Br)cc21)COC[C@H]1CCCO1 ZINC000932209089 654770439 /nfs/dbraw/zinc/77/04/39/654770439.db2.gz SGQKAMXXPIPQFW-LZWOXQAQSA-N 1 0 386.286 2.419 20 0 GEADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCC([NH+]2CCC2)CC1 ZINC000912875701 654772090 /nfs/dbraw/zinc/77/20/90/654772090.db2.gz NCCFCGSRFFFMPY-UHFFFAOYSA-N 1 0 394.269 2.090 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000932260603 654773257 /nfs/dbraw/zinc/77/32/57/654773257.db2.gz GCYBCEQCMPYUFE-CYBMUJFWSA-N 1 0 395.253 2.006 20 0 GEADRO O=C(c1ccnc(Cl)c1I)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912913227 654774160 /nfs/dbraw/zinc/77/41/60/654774160.db2.gz IRAMLAHCTXRWDO-SECBINFHSA-N 1 0 391.640 2.260 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918014 654774171 /nfs/dbraw/zinc/77/41/71/654774171.db2.gz SMOHTFCOHBZMSS-JKSUJKDBSA-N 1 0 379.913 2.162 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H]([NH+]2CCC2)C1)c1ccc(Br)cc1 ZINC000912923872 654774408 /nfs/dbraw/zinc/77/44/08/654774408.db2.gz LMJOBHQGQNNCCG-IAGOWNOFSA-N 1 0 394.313 2.323 20 0 GEADRO C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1cc(F)c(Br)cc1F ZINC000912991425 654777709 /nfs/dbraw/zinc/77/77/09/654777709.db2.gz BMXZFKBZKGVMHB-SNVBAGLBSA-N 1 0 390.272 2.398 20 0 GEADRO C[C@H](CNC(=O)c1cc(=O)n(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000932504535 654779604 /nfs/dbraw/zinc/77/96/04/654779604.db2.gz RDLZCJKGWHANIF-CYBMUJFWSA-N 1 0 392.297 2.398 20 0 GEADRO Cc1ncc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(C)c1Br ZINC000932775437 654789612 /nfs/dbraw/zinc/78/96/12/654789612.db2.gz NFDXTGRDDZAMAJ-MNOVXSKESA-N 1 0 385.306 2.380 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000913389441 654790115 /nfs/dbraw/zinc/79/01/15/654790115.db2.gz VQUONQQLHGDDFU-HNNXBMFYSA-N 1 0 384.318 2.085 20 0 GEADRO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932816203 654791858 /nfs/dbraw/zinc/79/18/58/654791858.db2.gz SVFFEXJGTRZYPT-WBVHZDCISA-N 1 0 386.286 2.047 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000932914488 654794142 /nfs/dbraw/zinc/79/41/42/654794142.db2.gz WIORJFLOVOEGOF-AWEZNQCLSA-N 1 0 381.318 2.005 20 0 GEADRO COc1ncc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1Br ZINC000932947114 654795716 /nfs/dbraw/zinc/79/57/16/654795716.db2.gz YVOTXQNITNJNIZ-VXGBXAGGSA-N 1 0 399.289 2.146 20 0 GEADRO O=C(CC[NH2+][C@@H]1C(=O)NCC12CCOCC2)Nc1c(Cl)cccc1Cl ZINC000933037627 654800837 /nfs/dbraw/zinc/80/08/37/654800837.db2.gz WASVWLFJRGXBDN-OAHLLOKOSA-N 1 0 386.279 2.207 20 0 GEADRO Cc1csc(C[C@H]2CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000933124599 654802994 /nfs/dbraw/zinc/80/29/94/654802994.db2.gz AKDVNQSBLPLAGB-LLVKDONJSA-N 1 0 378.420 2.094 20 0 GEADRO Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cnc1Br ZINC000933166623 654803902 /nfs/dbraw/zinc/80/39/02/654803902.db2.gz WZSOTUBSSBUXLD-ZDUSSCGKSA-N 1 0 382.302 2.383 20 0 GEADRO CCOC(=O)CS[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(F)(F)F ZINC000913766534 654808450 /nfs/dbraw/zinc/80/84/50/654808450.db2.gz GIXLCEUAKCNNDP-YNEHKIRRSA-N 1 0 382.448 2.347 20 0 GEADRO C[C@@H](NC(=O)c1cc(F)cc(Br)c1F)[C@H]1C[N@H+](C)CCN1C ZINC000933388421 654811308 /nfs/dbraw/zinc/81/13/08/654811308.db2.gz SRNACGDJXAUKPH-NOZJJQNGSA-N 1 0 376.245 2.091 20 0 GEADRO C[C@H](NC(=O)c1cc(F)cc(Br)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC000933388425 654811416 /nfs/dbraw/zinc/81/14/16/654811416.db2.gz SRNACGDJXAUKPH-ZANVPECISA-N 1 0 376.245 2.091 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCc1cccnc1 ZINC000933436231 654812706 /nfs/dbraw/zinc/81/27/06/654812706.db2.gz BOIJQIPCLBLHCH-GOSISDBHSA-N 1 0 392.297 2.044 20 0 GEADRO COc1ccc(C[C@@](C)(CO)[NH2+]C[C@@H](O)c2cc(Br)no2)cc1 ZINC000933431393 654812724 /nfs/dbraw/zinc/81/27/24/654812724.db2.gz ULRYACWLMZGEAE-CJNGLKHVSA-N 1 0 385.258 2.062 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc2n1CCCC2 ZINC000933437631 654813194 /nfs/dbraw/zinc/81/31/94/654813194.db2.gz APKUMDMFTFCEHW-KRWDZBQOSA-N 1 0 379.302 2.460 20 0 GEADRO Cn1cc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(Br)n1 ZINC000913888596 654813856 /nfs/dbraw/zinc/81/38/56/654813856.db2.gz HTKNYHNWIFFTFY-AWEZNQCLSA-N 1 0 398.280 2.424 20 0 GEADRO NS(=O)(=O)c1ccc(C2CC[NH+](CCOC3CCSCC3)CC2)cc1 ZINC000933551054 654816677 /nfs/dbraw/zinc/81/66/77/654816677.db2.gz YQQHAHBFNMFCGH-UHFFFAOYSA-N 1 0 384.567 2.426 20 0 GEADRO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933703191 654820757 /nfs/dbraw/zinc/82/07/57/654820757.db2.gz FUBDJPYSFPNWOK-OCCSQVGLSA-N 1 0 382.917 2.191 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cnn(C)c1I ZINC000933733795 654822528 /nfs/dbraw/zinc/82/25/28/654822528.db2.gz WOAKSRMOUMLBLT-JTQLQIEISA-N 1 0 391.257 2.021 20 0 GEADRO C[C@@H](NC(=O)Nc1cnn(C)c1I)C(C)(C)C[NH+](C)C ZINC000933736628 654823511 /nfs/dbraw/zinc/82/35/11/654823511.db2.gz ZEXSNPSSTFLSSR-SECBINFHSA-N 1 0 393.273 2.123 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCC1CCC(S(C)(=O)=O)CC1)c1ccsc1 ZINC000914073814 654824841 /nfs/dbraw/zinc/82/48/41/654824841.db2.gz RPTSJTGCAZBXDP-BCLQGDPASA-N 1 0 387.571 2.253 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1cnc(Br)cn1)c1ccsc1 ZINC000914073874 654824859 /nfs/dbraw/zinc/82/48/59/654824859.db2.gz SQLGLWKPYRTOOC-GFCCVEGCSA-N 1 0 384.303 2.403 20 0 GEADRO CCOC(=O)C1([C@@H](C)[NH2+]CCS(=O)(=O)C2CCCCC2)CCOCC1 ZINC000933880021 654829079 /nfs/dbraw/zinc/82/90/79/654829079.db2.gz ILRRNQZODHTKIA-OAHLLOKOSA-N 1 0 375.531 2.072 20 0 GEADRO O=C(c1ccc(Br)[nH]c1=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000933917322 654829909 /nfs/dbraw/zinc/82/99/09/654829909.db2.gz ABLIATQBVPXHEM-UHFFFAOYSA-N 1 0 398.301 2.267 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1(c2ncc(Br)cn2)CCC1 ZINC000914162893 654830877 /nfs/dbraw/zinc/83/08/77/654830877.db2.gz SNGAHCLRONOEGK-LBPRGKRZSA-N 1 0 394.317 2.402 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000914185086 654833581 /nfs/dbraw/zinc/83/35/81/654833581.db2.gz UTYUMQDZXGJNOT-ZWNOBZJWSA-N 1 0 379.295 2.490 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cscc2C(F)F)CC1 ZINC000914187938 654833819 /nfs/dbraw/zinc/83/38/19/654833819.db2.gz TVPWCXFUKKENLS-GFCCVEGCSA-N 1 0 381.514 2.238 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(Br)[nH]c2=O)C1 ZINC000934002221 654833908 /nfs/dbraw/zinc/83/39/08/654833908.db2.gz RSXHQWJPUSLXRR-LBPRGKRZSA-N 1 0 386.290 2.123 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)CCSC1 ZINC000934077089 654835826 /nfs/dbraw/zinc/83/58/26/654835826.db2.gz BXNQUDJGHDJKBH-ZBEGNZNMSA-N 1 0 381.489 2.088 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(F)ccc1OC(C)C ZINC000914235067 654837314 /nfs/dbraw/zinc/83/73/14/654837314.db2.gz LKOGUTVUXFEIRT-OAHLLOKOSA-N 1 0 376.494 2.248 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC000934164778 654837334 /nfs/dbraw/zinc/83/73/34/654837334.db2.gz IOOIRVAYVHEHDY-UHFFFAOYSA-N 1 0 378.464 2.394 20 0 GEADRO OCCN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000934253643 654840119 /nfs/dbraw/zinc/84/01/19/654840119.db2.gz FYESLDOLAOJNMD-VHSSKADRSA-N 1 0 389.323 2.264 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1cn2cc(Br)ccc2n1 ZINC000934256624 654840234 /nfs/dbraw/zinc/84/02/34/654840234.db2.gz CRPMECGDYWATRP-JKSUJKDBSA-N 1 0 379.302 2.128 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000934255721 654840372 /nfs/dbraw/zinc/84/03/72/654840372.db2.gz NFHWZEOHYQFTAV-CYBMUJFWSA-N 1 0 383.290 2.339 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000934260847 654840858 /nfs/dbraw/zinc/84/08/58/654840858.db2.gz OGWAWGXHWCTEDK-SJORKVTESA-N 1 0 396.329 2.227 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934268204 654842115 /nfs/dbraw/zinc/84/21/15/654842115.db2.gz IAKUOCVEPLQJJW-IRXDYDNUSA-N 1 0 397.313 2.267 20 0 GEADRO O=C(CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)Nc1ccc(Cl)cc1 ZINC000914325308 654845168 /nfs/dbraw/zinc/84/51/68/654845168.db2.gz GUFYFIGTTIFZKP-HUUCEWRRSA-N 1 0 382.917 2.158 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1c(Br)cnn1C1CC1)CCO2 ZINC000934369119 654846606 /nfs/dbraw/zinc/84/66/06/654846606.db2.gz LTFXKGRZUOGSHU-UHFFFAOYSA-N 1 0 398.305 2.309 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934372128 654847304 /nfs/dbraw/zinc/84/73/04/654847304.db2.gz MBRZWWCZWKTSEU-LBPRGKRZSA-N 1 0 388.310 2.459 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cnc(Br)cn1 ZINC000914356613 654847968 /nfs/dbraw/zinc/84/79/68/654847968.db2.gz LOYHJIZWFUENLW-XQQFMLRXSA-N 1 0 384.322 2.405 20 0 GEADRO C[C@](CO)([NH2+]CC(=O)NC(=O)NC1CCCC1)c1cccc(Br)c1 ZINC000934498100 654851406 /nfs/dbraw/zinc/85/14/06/654851406.db2.gz YEOZIDBOYLYYMV-QGZVFWFLSA-N 1 0 398.301 2.015 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cnn2cccc(Br)c12 ZINC000934725730 654856170 /nfs/dbraw/zinc/85/61/70/654856170.db2.gz OTGRQCFJZHIADU-ZDUSSCGKSA-N 1 0 393.285 2.080 20 0 GEADRO 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GEADRO CSC1(C[N-]S(=O)(=O)c2occc2Br)CC[NH+](C)CC1 ZINC000915735973 654878200 /nfs/dbraw/zinc/87/82/00/654878200.db2.gz WHDQJQWBSQKUQO-UHFFFAOYSA-N 1 0 383.333 2.148 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000935159057 654879039 /nfs/dbraw/zinc/87/90/39/654879039.db2.gz YWPSKMFIEKNVNV-BBRMVZONSA-N 1 0 395.345 2.251 20 0 GEADRO C[C@@H](CNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)C[NH+](C)C ZINC000915821994 654880218 /nfs/dbraw/zinc/88/02/18/654880218.db2.gz KLJTUCKALOWCQL-BSNNYGBQSA-N 1 0 387.449 2.065 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)Cc3cccc(F)c3Br)C2)C1 ZINC000915850191 654880825 /nfs/dbraw/zinc/88/08/25/654880825.db2.gz OAVLKJBIMFTIML-HNNXBMFYSA-N 1 0 391.306 2.446 20 0 GEADRO C[C@@H](C(=O)NCCOCC[NH+](C)C)c1ccc(I)cc1 ZINC000935260215 654884207 /nfs/dbraw/zinc/88/42/07/654884207.db2.gz OIQAOHYHNDZJDI-GFCCVEGCSA-N 1 0 390.265 2.089 20 0 GEADRO CS[C@H]1CN(C(=O)C2(n3cc(Br)cn3)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000935368069 654889937 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C[N@@H+]1C[C@@H]2CN(Cn3nc(Br)c(=O)c4ccccc43)C[C@]2(C)C1 ZINC000904435408 659400680 /nfs/dbraw/zinc/40/06/80/659400680.db2.gz CFXYPOKYNLNONN-PXAZEXFGSA-N 1 0 377.286 2.000 20 0 GEADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164390741 718824510 /nfs/dbraw/zinc/82/45/10/718824510.db2.gz QCNKCQCHMUINTB-OLZOCXBDSA-N 1 0 381.814 2.304 20 0 GEADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c2c1C ZINC001164390370 718824677 /nfs/dbraw/zinc/82/46/77/718824677.db2.gz OABCYQFMXGGZCY-JKSUJKDBSA-N 1 0 387.553 2.471 20 0 GEADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164393980 718831771 /nfs/dbraw/zinc/83/17/71/718831771.db2.gz YMBYXKJUVLVQON-OAHLLOKOSA-N 1 0 379.842 2.436 20 0 GEADRO c1cncc(-c2nc3sc4c(c3c(N3CCN5CC[NH2+]C[C@@H]5C3)n2)CCC4)c1 ZINC001164408543 718839857 /nfs/dbraw/zinc/83/98/57/718839857.db2.gz ZUAOYJUNQDQHGM-OAHLLOKOSA-N 1 0 392.532 2.336 20 0 GEADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164407548 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CN1CCN(c2nccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164628624 719104781 /nfs/dbraw/zinc/10/47/81/719104781.db2.gz NUSYDBKKRBXDRX-RTWAWAEBSA-N 1 0 392.551 2.329 20 0 GEADRO CS(=O)(=O)c1cc(C(F)(F)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)cnc1Cl ZINC001164621217 719126853 /nfs/dbraw/zinc/12/68/53/719126853.db2.gz LXUVTGJKJLINQR-MWLCHTKSSA-N 1 0 397.850 2.197 20 0 GEADRO C[N@H+](Cc1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](N3CCCC3=O)C2)nc1)C1CC1 ZINC001164656919 719305412 /nfs/dbraw/zinc/30/54/12/719305412.db2.gz ZIHGZKGPLAIPLM-LQBOVUBWSA-N 1 0 384.524 2.282 20 0 GEADRO CC(C)n1nc(CN(C)C)c2c1CN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164652128 719313662 /nfs/dbraw/zinc/31/36/62/719313662.db2.gz NYMKEHPVRMWIQC-UHFFFAOYSA-N 1 0 384.528 2.320 20 0 GEADRO C[N@@H+]1CCO[C@@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@H]21 ZINC001164665229 719379043 /nfs/dbraw/zinc/37/90/43/719379043.db2.gz AKFJLJAZCZAFDO-IAGOWNOFSA-N 1 0 386.883 2.184 20 0 GEADRO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 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396.491 2.440 20 0 GEADRO COC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1C ZINC001164802264 721562548 /nfs/dbraw/zinc/56/25/48/721562548.db2.gz HVIQVVSVWVRWTF-ZJOUEHCJSA-N 1 0 396.491 2.440 20 0 GEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(N)=S)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164801710 721586552 /nfs/dbraw/zinc/58/65/52/721586552.db2.gz FJGVSIUJVVSJGQ-ZHALLVOQSA-N 1 0 398.536 2.000 20 0 GEADRO NC(=O)c1cccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908746 721713096 /nfs/dbraw/zinc/71/30/96/721713096.db2.gz YVMQXSZMGVEGTM-IBGZPJMESA-N 1 0 387.434 2.313 20 0 GEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nnc(Cl)c3ccncc32)CC1 ZINC001165007778 721732410 /nfs/dbraw/zinc/73/24/10/721732410.db2.gz HLOLAUJZPUFINI-UHFFFAOYSA-N 1 0 388.903 2.201 20 0 GEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2[C@@H](F)Oc2cccc(Cl)n2)CC1 ZINC001165010659 721737732 /nfs/dbraw/zinc/73/77/32/721737732.db2.gz JDJKYQWDCMURRO-QGZVFWFLSA-N 1 0 384.883 2.386 20 0 GEADRO 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C[NH+](C)Cc1ccnc(N2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)c1 ZINC001164973933 722090840 /nfs/dbraw/zinc/09/08/40/722090840.db2.gz LNATWEOCZSWTJT-FUHWJXTLSA-N 1 0 386.521 2.143 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc(NC5CC5)n4)CC[C@H]3C2)c1 ZINC001164976321 722098891 /nfs/dbraw/zinc/09/88/91/722098891.db2.gz COBVKBUECOULTJ-PKOBYXMFSA-N 1 0 380.496 2.173 20 0 GEADRO CCN(C)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985165 722099017 /nfs/dbraw/zinc/09/90/17/722099017.db2.gz VDRQQTNRDGOIEK-RTBURBONSA-N 1 0 382.512 2.055 20 0 GEADRO COC(=O)c1cc(C)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164977231 722101221 /nfs/dbraw/zinc/10/12/21/722101221.db2.gz FHOBMIYSQQMMPJ-QUCCMNQESA-N 1 0 396.491 2.299 20 0 GEADRO COC(=O)c1ccc(C)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983413 722103606 /nfs/dbraw/zinc/10/36/06/722103606.db2.gz PZCWWHVJCCOVTF-UYAOXDASSA-N 1 0 396.491 2.299 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncnc5ncccc54)CC[C@@H]3C2)c1 ZINC001164975459 722104234 /nfs/dbraw/zinc/10/42/34/722104234.db2.gz BSGVOMWSIWSOAY-MJGOQNOKSA-N 1 0 376.464 2.147 20 0 GEADRO COC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164982702 722107977 /nfs/dbraw/zinc/10/79/77/722107977.db2.gz OBVJIWPRVRLMAB-ICSRJNTNSA-N 1 0 396.491 2.299 20 0 GEADRO COc1cnnc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981716 722115894 /nfs/dbraw/zinc/11/58/94/722115894.db2.gz UXYGURRQHIYQGD-DOTOQJQBSA-N 1 0 389.887 2.261 20 0 GEADRO Cc1nc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2n1C ZINC001164983182 722118284 /nfs/dbraw/zinc/11/82/84/722118284.db2.gz YKWZRIHICHNVLS-AZUAARDMSA-N 1 0 392.507 2.399 20 0 GEADRO c1nc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2s1 ZINC001164981868 722127312 /nfs/dbraw/zinc/12/73/12/722127312.db2.gz VJTDRYGARXYHGD-RDJZCZTQSA-N 1 0 382.493 2.209 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cncc(N5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164976970 722131559 /nfs/dbraw/zinc/13/15/59/722131559.db2.gz HKZBZNWNACNCTK-PMACEKPBSA-N 1 0 394.523 2.199 20 0 GEADRO Cc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCC2 ZINC001164982600 722135047 /nfs/dbraw/zinc/13/50/47/722135047.db2.gz RRUSWKLRVNEXDM-GHTZIAJQSA-N 1 0 379.508 2.396 20 0 GEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5c(n4)CC[NH2+]C5)CC[C@@H]32)cs1 ZINC001164991075 722176591 /nfs/dbraw/zinc/17/65/91/722176591.db2.gz XOIXAVPRIQIBDZ-VQTJNVASSA-N 1 0 399.564 2.362 20 0 GEADRO CN1CC(=O)Nc2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc21 ZINC001164995646 722202826 /nfs/dbraw/zinc/20/28/26/722202826.db2.gz OTBABBDJIOOCQD-NRFANRHFSA-N 1 0 396.470 2.249 20 0 GEADRO Cc1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1NC(C)C ZINC001165002066 722250311 /nfs/dbraw/zinc/25/03/11/722250311.db2.gz VIVXHYNASNFNDE-UHFFFAOYSA-N 1 0 387.532 2.290 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nnc(Cl)cc1Cl)CCC2 ZINC001165000613 722250851 /nfs/dbraw/zinc/25/08/51/722250851.db2.gz UNOYEMQITWULKH-UHFFFAOYSA-N 1 0 385.299 2.468 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccccn3)nn1)CCC2 ZINC001165003978 722257008 /nfs/dbraw/zinc/25/70/08/722257008.db2.gz KKGOAAVJTSZPAK-UHFFFAOYSA-N 1 0 393.495 2.224 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)C1CCCCC1 ZINC000151549143 531510802 /nfs/dbraw/zinc/51/08/02/531510802.db2.gz GBQRLSLJYRUXRG-AWEZNQCLSA-N 1 0 397.317 2.409 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000151637245 531512054 /nfs/dbraw/zinc/51/20/54/531512054.db2.gz UZHQISPZJPYNNW-UHFFFAOYSA-N 1 0 386.290 2.065 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(C)nc2Br)CC1 ZINC000151674685 531515438 /nfs/dbraw/zinc/51/54/38/531515438.db2.gz ZWRARAOORYOYKN-ZDUSSCGKSA-N 1 0 383.334 2.156 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000151774711 531518801 /nfs/dbraw/zinc/51/88/01/531518801.db2.gz IRPDHDVKJZCVFS-UHFFFAOYSA-N 1 0 386.237 2.285 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000151430899 531500441 /nfs/dbraw/zinc/50/04/41/531500441.db2.gz CJAXJIVKLXNBIC-HNNXBMFYSA-N 1 0 395.301 2.219 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000151409068 531500754 /nfs/dbraw/zinc/50/07/54/531500754.db2.gz CKLDEKJBCLWFAW-AWEZNQCLSA-N 1 0 398.345 2.478 20 0 GEADRO Cc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(Br)n1 ZINC000151447356 531502453 /nfs/dbraw/zinc/50/24/53/531502453.db2.gz BAAJNTBZHAGVAD-GFCCVEGCSA-N 1 0 384.322 2.158 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000151750578 531519278 /nfs/dbraw/zinc/51/92/78/531519278.db2.gz ZTVPRTBTYFEUET-ZDUSSCGKSA-N 1 0 382.302 2.306 20 0 GEADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000003605684 531510194 /nfs/dbraw/zinc/51/01/94/531510194.db2.gz ZXLKNVHAXIJNSW-UHFFFAOYSA-N 1 0 381.483 2.227 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000151799224 531521086 /nfs/dbraw/zinc/52/10/86/531521086.db2.gz OINIMBRCAGZVPJ-YPMHNXCESA-N 1 0 380.286 2.437 20 0 GEADRO CC[N@H+](CC(=O)NCCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000151999141 531525427 /nfs/dbraw/zinc/52/54/27/531525427.db2.gz AEKLEFQAMSTWCB-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000151982170 531525620 /nfs/dbraw/zinc/52/56/20/531525620.db2.gz DSFPFKAOZRTZJB-MRXNPFEDSA-N 1 0 396.329 2.463 20 0 GEADRO CC[N@H+](CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC000151971008 531526359 /nfs/dbraw/zinc/52/63/59/531526359.db2.gz FOZLFJAZOQDHJJ-UHFFFAOYSA-N 1 0 394.313 2.218 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)NCCCC[N@H+]1CCC[C@H]1CO ZINC000152190694 531536908 /nfs/dbraw/zinc/53/69/08/531536908.db2.gz HCBCKEVFPVGASY-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)CN2CCNCC2=O)s1 ZINC000152262741 531541194 /nfs/dbraw/zinc/54/11/94/531541194.db2.gz BUSXOXMNPGSDMO-UHFFFAOYSA-N 1 0 378.885 2.066 20 0 GEADRO COC(=O)CNC(=O)CC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152598128 531560620 /nfs/dbraw/zinc/56/06/20/531560620.db2.gz CMBUCVIQZDVWKE-UHFFFAOYSA-N 1 0 383.286 2.092 20 0 GEADRO CNS(=O)(=O)CCC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152601483 531561561 /nfs/dbraw/zinc/56/15/61/531561561.db2.gz WKASZDXHZQXRDC-UHFFFAOYSA-N 1 0 375.332 2.352 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccncc3Br)CC2)c1 ZINC000152627184 531563257 /nfs/dbraw/zinc/56/32/57/531563257.db2.gz QJEQEQFMHVRHQG-UHFFFAOYSA-N 1 0 377.242 2.210 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000152674323 531566005 /nfs/dbraw/zinc/56/60/05/531566005.db2.gz DZZOLNVKEWRJNC-CJNGLKHVSA-N 1 0 394.313 2.308 20 0 GEADRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152821187 531574371 /nfs/dbraw/zinc/57/43/71/531574371.db2.gz XNOONCZVHSXNOG-SJCJKPOMSA-N 1 0 385.302 2.087 20 0 GEADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152821499 531573591 /nfs/dbraw/zinc/57/35/91/531573591.db2.gz XNOONCZVHSXNOG-SJKOYZFVSA-N 1 0 385.302 2.087 20 0 GEADRO [NH3+]C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000020432620 531583350 /nfs/dbraw/zinc/58/33/50/531583350.db2.gz VZAFYPYGBOSRSU-UHFFFAOYSA-N 1 0 398.120 2.323 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)CCc1cc(Cl)ccc1Br ZINC000153095763 531588054 /nfs/dbraw/zinc/58/80/54/531588054.db2.gz IDBBVKDAIGJQFN-OAHLLOKOSA-N 1 0 377.710 2.464 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000153170348 531592574 /nfs/dbraw/zinc/59/25/74/531592574.db2.gz ABFBBDSTHGQNAF-UHFFFAOYSA-N 1 0 384.278 2.094 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153273646 531593518 /nfs/dbraw/zinc/59/35/18/531593518.db2.gz LDTZYLCSIHLAIK-BMIGLBTASA-N 1 0 393.709 2.299 20 0 GEADRO CN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCC[N@H+](C)C1 ZINC000153418123 531597589 /nfs/dbraw/zinc/59/75/89/531597589.db2.gz USSAXBJKWTYDSK-CVEARBPZSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C[C@H](C)[NH2+]1 ZINC000153346260 531596690 /nfs/dbraw/zinc/59/66/90/531596690.db2.gz VRSWYUSZDQCGKS-FRRDWIJNSA-N 1 0 380.286 2.011 20 0 GEADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153442241 531600997 /nfs/dbraw/zinc/60/09/97/531600997.db2.gz GOUPISXMHYUUJI-DOTOQJQBSA-N 1 0 387.318 2.281 20 0 GEADRO CN(C(=O)COc1ccc(I)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000153741438 531607891 /nfs/dbraw/zinc/60/78/91/531607891.db2.gz UAZCSKVHKVLWQX-CYBMUJFWSA-N 1 0 388.249 2.223 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000153803247 531610533 /nfs/dbraw/zinc/61/05/33/531610533.db2.gz LLEZOOKQUAKVDL-LBPRGKRZSA-N 1 0 398.301 2.163 20 0 GEADRO C[C@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000154056144 531619254 /nfs/dbraw/zinc/61/92/54/531619254.db2.gz BRODICNTVCLMKG-RYUDHWBXSA-N 1 0 383.290 2.170 20 0 GEADRO CC(C)[NH+](CCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C(C)C ZINC000027458047 531625541 /nfs/dbraw/zinc/62/55/41/531625541.db2.gz FDQBDRZGGBCDQF-UHFFFAOYSA-N 1 0 389.949 2.243 20 0 GEADRO COc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1I ZINC000154700428 531627933 /nfs/dbraw/zinc/62/79/33/531627933.db2.gz CPYOOQHVOQCWTR-UHFFFAOYSA-N 1 0 376.238 2.370 20 0 GEADRO CN(Cc1cc(Br)cn1C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000154961089 531645406 /nfs/dbraw/zinc/64/54/06/531645406.db2.gz TUJVCKCKLYGOTJ-UHFFFAOYSA-N 1 0 383.294 2.210 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000154847427 531637613 /nfs/dbraw/zinc/63/76/13/531637613.db2.gz HGYCHGSZXWMQMA-UHFFFAOYSA-N 1 0 384.318 2.225 20 0 GEADRO CNC(=O)CCC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000155253697 531668890 /nfs/dbraw/zinc/66/88/90/531668890.db2.gz KNMPMHPKUDLRBU-GFCCVEGCSA-N 1 0 393.709 2.300 20 0 GEADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2csc(Br)c2)cc1 ZINC000042477436 531670699 /nfs/dbraw/zinc/67/06/99/531670699.db2.gz MQUMCMZSFBEJDM-UHFFFAOYSA-N 1 0 375.313 2.490 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000036266701 531658331 /nfs/dbraw/zinc/65/83/31/531658331.db2.gz OTIJWOXAVDOUQD-UHFFFAOYSA-N 1 0 377.304 2.398 20 0 GEADRO COc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1I ZINC000155144227 531660458 /nfs/dbraw/zinc/66/04/58/531660458.db2.gz VGZPGHITLVYFDH-QWRGUYRKSA-N 1 0 388.249 2.464 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NCC(=O)OC ZINC000155185382 531662053 /nfs/dbraw/zinc/66/20/53/531662053.db2.gz SSIAHFOZNZNVFM-JTQLQIEISA-N 1 0 375.238 2.088 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000155423117 531684199 /nfs/dbraw/zinc/68/41/99/531684199.db2.gz HPXWDSUFWQHTHV-GHMZBOCLSA-N 1 0 388.331 2.134 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1Br ZINC000155293778 531671544 /nfs/dbraw/zinc/67/15/44/531671544.db2.gz ITPXHLPUSFXUTO-JTQLQIEISA-N 1 0 377.279 2.351 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccncc1Br ZINC000155727583 531698769 /nfs/dbraw/zinc/69/87/69/531698769.db2.gz BDCOYZNJNWCMOH-UHFFFAOYSA-N 1 0 377.242 2.257 20 0 GEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000155624707 531692572 /nfs/dbraw/zinc/69/25/72/531692572.db2.gz LVMHNMJITNNPIH-UHFFFAOYSA-N 1 0 388.917 2.482 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000156225886 531723173 /nfs/dbraw/zinc/72/31/73/531723173.db2.gz BUQAAVMFOYIYTF-MNOVXSKESA-N 1 0 378.270 2.490 20 0 GEADRO CN(CC(=O)NCC(C)(C)C[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000048381492 531730752 /nfs/dbraw/zinc/73/07/52/531730752.db2.gz RBNIUTICQDMWEP-UHFFFAOYSA-N 1 0 390.347 2.287 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCCc1ccc(Br)s1 ZINC000048385408 531730808 /nfs/dbraw/zinc/73/08/08/531730808.db2.gz TXPFFSAHYUNSOW-UHFFFAOYSA-N 1 0 390.347 2.465 20 0 GEADRO CS(=O)(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000047463042 531712464 /nfs/dbraw/zinc/71/24/64/531712464.db2.gz ZICSTVWPGDYADJ-UHFFFAOYSA-N 1 0 379.448 2.157 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)COc2cccc(Br)c2)C[C@@H](C)O1 ZINC000047433084 531713326 /nfs/dbraw/zinc/71/33/26/531713326.db2.gz DXBUIIVFFUKWAM-ZIAGYGMSSA-N 1 0 385.302 2.443 20 0 GEADRO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000047740396 531720586 /nfs/dbraw/zinc/72/05/86/531720586.db2.gz 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CC(C)[NH+](CCCNC(=O)CNC(=O)c1ccc(Br)o1)C(C)C ZINC000174098126 532048861 /nfs/dbraw/zinc/04/88/61/532048861.db2.gz LYIRNZPHYRTBFE-UHFFFAOYSA-N 1 0 388.306 2.397 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174176114 532054011 /nfs/dbraw/zinc/05/40/11/532054011.db2.gz FRHDAIVWFRXCBO-CQSZACIVSA-N 1 0 397.313 2.181 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000174133708 532052419 /nfs/dbraw/zinc/05/24/19/532052419.db2.gz QJERNIMFLWEXNZ-HUUCEWRRSA-N 1 0 377.312 2.122 20 0 GEADRO C[C@H]1Cc2cc(S(=O)(=O)NCC3([NH+](C)C)CCOCC3)cc(Cl)c2O1 ZINC000122165410 532059476 /nfs/dbraw/zinc/05/94/76/532059476.db2.gz FZJAMLFCEVGWOZ-LBPRGKRZSA-N 1 0 388.917 2.053 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cnn(Cc2ccccc2)c1)c1cccs1 ZINC000122195113 532061464 /nfs/dbraw/zinc/06/14/64/532061464.db2.gz JPHWVQRWQMIKIR-UHFFFAOYSA-N 1 0 376.507 2.061 20 0 GEADRO COc1ccc(CCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1Br ZINC000174318120 532060695 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CCn1cc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)cn1 ZINC000174601635 532071402 /nfs/dbraw/zinc/07/14/02/532071402.db2.gz ONEHXPUDCSMKHO-UHFFFAOYSA-N 1 0 382.555 2.471 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000122558973 532076022 /nfs/dbraw/zinc/07/60/22/532076022.db2.gz NUHWTPWMDRFTAW-LLVKDONJSA-N 1 0 399.866 2.273 20 0 GEADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000122759831 532082319 /nfs/dbraw/zinc/08/23/19/532082319.db2.gz HTUCISZJANMSRD-SNVBAGLBSA-N 1 0 387.221 2.450 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000122874046 532085738 /nfs/dbraw/zinc/08/57/38/532085738.db2.gz ASTGDMWYKOSXMO-HZPDHXFCSA-N 1 0 375.296 2.380 20 0 GEADRO CNC(=O)CC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000175042776 532088066 /nfs/dbraw/zinc/08/80/66/532088066.db2.gz ZCHZKFOPJGYOCE-OAHLLOKOSA-N 1 0 385.302 2.037 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122951146 532088333 /nfs/dbraw/zinc/08/83/33/532088333.db2.gz KVHNLBCUIXCZCL-SECBINFHSA-N 1 0 390.228 2.266 20 0 GEADRO COc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1Br ZINC000175230475 532093331 /nfs/dbraw/zinc/09/33/31/532093331.db2.gz CFMSCISYARZARV-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000123213952 532095367 /nfs/dbraw/zinc/09/53/67/532095367.db2.gz ZEPMHFCSYDQWCD-SUMWQHHRSA-N 1 0 386.334 2.382 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000175289000 532097185 /nfs/dbraw/zinc/09/71/85/532097185.db2.gz GRQAPYCXCOFTOX-LBPRGKRZSA-N 1 0 391.331 2.420 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC[NH2+]1 ZINC000175428709 532102420 /nfs/dbraw/zinc/10/24/20/532102420.db2.gz ZLZMOQWLMQKFJP-GFCCVEGCSA-N 1 0 380.286 2.012 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000175443287 532103513 /nfs/dbraw/zinc/10/35/13/532103513.db2.gz IUJLAGDBSHVUJS-GJZGRUSLSA-N 1 0 382.302 2.168 20 0 GEADRO CC(C)C[C@H]1CCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000123662886 532104973 /nfs/dbraw/zinc/10/49/73/532104973.db2.gz BZZDEOSSPQYXPS-QGZVFWFLSA-N 1 0 375.579 2.063 20 0 GEADRO COc1cc(C[NH2+][C@H](CO)C(C)C)cc(I)c1OC ZINC000175862548 532117415 /nfs/dbraw/zinc/11/74/15/532117415.db2.gz LRPYHFGQLMFULS-GFCCVEGCSA-N 1 0 379.238 2.415 20 0 GEADRO Cn1cc(C[NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)c(=O)n(C)c1=O ZINC000175979278 532120705 /nfs/dbraw/zinc/12/07/05/532120705.db2.gz ODJJUZVWETWINX-UHFFFAOYSA-N 1 0 392.670 2.213 20 0 GEADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccc(Br)cn3)C2)CC1 ZINC000175987915 532122178 /nfs/dbraw/zinc/12/21/78/532122178.db2.gz PJCPEEUCGTWFHN-HNNXBMFYSA-N 1 0 381.318 2.086 20 0 GEADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3nnc(C(F)(F)F)s3)CC2)CCO1 ZINC000124438102 532122237 /nfs/dbraw/zinc/12/22/37/532122237.db2.gz RTYKJCFXHWMPND-VIFPVBQESA-N 1 0 379.408 2.274 20 0 GEADRO COc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000175840402 532115628 /nfs/dbraw/zinc/11/56/28/532115628.db2.gz CVBQFFJJQZXCRO-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1ccc(I)c(Cl)c1 ZINC000176090871 532125743 /nfs/dbraw/zinc/12/57/43/532125743.db2.gz DBQHQLIJUKLJOQ-UHFFFAOYSA-N 1 0 396.656 2.253 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)NCc1cc(Br)ccc1OC ZINC000176123224 532126599 /nfs/dbraw/zinc/12/65/99/532126599.db2.gz BIDQITWFDLRXQV-UHFFFAOYSA-N 1 0 388.306 2.225 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000176218646 532130457 /nfs/dbraw/zinc/13/04/57/532130457.db2.gz FOPZXYCOKCKYMY-UHFFFAOYSA-N 1 0 382.302 2.186 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N(C)Cc1cnn(C)c1 ZINC000126921357 532151934 /nfs/dbraw/zinc/15/19/34/532151934.db2.gz YKCHWHLCKCDXLN-LLVKDONJSA-N 1 0 398.248 2.484 20 0 GEADRO O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)N[C@H]1CC[NH2+]C1 ZINC000127083560 532152679 /nfs/dbraw/zinc/15/26/79/532152679.db2.gz BCYSWODQKICKRS-ZDUSSCGKSA-N 1 0 392.253 2.315 20 0 GEADRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnc1Cl ZINC000127428841 532153527 /nfs/dbraw/zinc/15/35/27/532153527.db2.gz INLLWZNJBGRCQL-CVEARBPZSA-N 1 0 387.933 2.090 20 0 GEADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000127422323 532153538 /nfs/dbraw/zinc/15/35/38/532153538.db2.gz XMZZCAFLINSVJX-STQMWFEESA-N 1 0 378.947 2.448 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(I)c1 ZINC000176890615 532153938 /nfs/dbraw/zinc/15/39/38/532153938.db2.gz HOPYYVXCFNFQEA-AWEZNQCLSA-N 1 0 390.265 2.378 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1[nH]nc(C(C)C)c1Br ZINC000176910013 532154783 /nfs/dbraw/zinc/15/47/83/532154783.db2.gz RGSMCPUVLNPWEM-NSHDSACASA-N 1 0 375.311 2.382 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C2)c(Cl)cc1Cl ZINC000126431673 532148322 /nfs/dbraw/zinc/14/83/22/532148322.db2.gz DEQURPVOVZUTDO-JTQLQIEISA-N 1 0 394.324 2.019 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000128714610 532166111 /nfs/dbraw/zinc/16/61/11/532166111.db2.gz WDIHZYGAGRATTA-UHFFFAOYSA-N 1 0 391.313 2.203 20 0 GEADRO Cn1cc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cn1 ZINC000129006933 532170901 /nfs/dbraw/zinc/17/09/01/532170901.db2.gz IJKSAKZNHBIFRO-UHFFFAOYSA-N 1 0 382.917 2.360 20 0 GEADRO CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)Nc1ccc(Br)cc1 ZINC000177379950 532169316 /nfs/dbraw/zinc/16/93/16/532169316.db2.gz VWLBQFYFNHJQTR-UHFFFAOYSA-N 1 0 397.361 2.345 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000176928654 532156181 /nfs/dbraw/zinc/15/61/81/532156181.db2.gz OPKXVDHXYUOQCI-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2ccc(O)c(Br)c2)CCOCC1 ZINC000127916450 532158484 /nfs/dbraw/zinc/15/84/84/532158484.db2.gz LUZLQUZDFPAGKW-UHFFFAOYSA-N 1 0 386.290 2.065 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000128222691 532162614 /nfs/dbraw/zinc/16/26/14/532162614.db2.gz ZOSQHPKTXSTEKI-SNVBAGLBSA-N 1 0 388.693 2.417 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000177159099 532163544 /nfs/dbraw/zinc/16/35/44/532163544.db2.gz YGMJAZIECCYPSJ-SWLSCSKDSA-N 1 0 394.313 2.310 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@H](CO)C1 ZINC000128369287 532163929 /nfs/dbraw/zinc/16/39/29/532163929.db2.gz ODKUKSRRLSLMNG-NEPJUHHUSA-N 1 0 388.249 2.323 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N(C)CC[NH+](C)C)[nH]c(=O)c2c1C ZINC000177685136 532178851 /nfs/dbraw/zinc/17/88/51/532178851.db2.gz IVDSCJIEECJGAD-LBPRGKRZSA-N 1 0 382.555 2.243 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000177774163 532182446 /nfs/dbraw/zinc/18/24/46/532182446.db2.gz KHEAAUKJHDLIFI-CYBMUJFWSA-N 1 0 375.274 2.464 20 0 GEADRO CN(CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000177514524 532174416 /nfs/dbraw/zinc/17/44/16/532174416.db2.gz FEXVSUGKQFOTCR-NEPJUHHUSA-N 1 0 393.962 2.011 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)c2c[nH]c3cccc(Br)c32)CC1 ZINC000129224991 532175271 /nfs/dbraw/zinc/17/52/71/532175271.db2.gz CCGDWWQRWRXZOZ-GFCCVEGCSA-N 1 0 380.286 2.459 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000130254382 532191532 /nfs/dbraw/zinc/19/15/32/532191532.db2.gz CFNPXTMCXPQTNL-ZBFHGGJFSA-N 1 0 397.313 2.494 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178118221 532193101 /nfs/dbraw/zinc/19/31/01/532193101.db2.gz SKCGTJZJWBGOSD-LSDHHAIUSA-N 1 0 397.313 2.397 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C1([NH3+])CCCC1 ZINC000178120279 532193918 /nfs/dbraw/zinc/19/39/18/532193918.db2.gz ADUNZYSMQYFHMV-UHFFFAOYSA-N 1 0 382.302 2.185 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000178182871 532196305 /nfs/dbraw/zinc/19/63/05/532196305.db2.gz UGRHTIUZJZBVAU-PEYYIBSZSA-N 1 0 382.302 2.407 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H](CO)c1cccc(Br)c1 ZINC000177944761 532186620 /nfs/dbraw/zinc/18/66/20/532186620.db2.gz LYAZUPPGVLVTNY-MLGOLLRUSA-N 1 0 382.302 2.266 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000129951841 532187104 /nfs/dbraw/zinc/18/71/04/532187104.db2.gz KDDFNSHWXVRDJV-DZGCQCFKSA-N 1 0 383.286 2.152 20 0 GEADRO COCCCNC(=O)C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000178603988 532206983 /nfs/dbraw/zinc/20/69/83/532206983.db2.gz ZWTCLSSNVTWPOX-KRWDZBQOSA-N 1 0 399.329 2.347 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)[NH3+])C1 ZINC000178691988 532210300 /nfs/dbraw/zinc/21/03/00/532210300.db2.gz MUIXOULNPLYWNH-UONOGXRCSA-N 1 0 396.329 2.463 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 ZINC000178806310 532213266 /nfs/dbraw/zinc/21/32/66/532213266.db2.gz MCMXXOPXSZTADV-SNVBAGLBSA-N 1 0 389.315 2.052 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178824787 532214068 /nfs/dbraw/zinc/21/40/68/532214068.db2.gz GYXKBDKXWVRZDG-HNNXBMFYSA-N 1 0 396.329 2.350 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)c2cccn2-c2ccc(I)cc2)C1 ZINC000132453158 532215701 /nfs/dbraw/zinc/21/57/01/532215701.db2.gz FZLAJXDLWAJJTR-GFCCVEGCSA-N 1 0 381.217 2.255 20 0 GEADRO CCCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1CC[NH2+]C1 ZINC000178890603 532215753 /nfs/dbraw/zinc/21/57/53/532215753.db2.gz PMMZGVWDPJIWHM-KGLIPLIRSA-N 1 0 394.313 2.403 20 0 GEADRO C[C@H]([NH3+])CCNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000178912070 532216483 /nfs/dbraw/zinc/21/64/83/532216483.db2.gz BJZWGBLNNIWNEZ-ZETCQYMHSA-N 1 0 375.210 2.484 20 0 GEADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)N1CC[C@H]([NH3+])C1 ZINC000132494438 532216529 /nfs/dbraw/zinc/21/65/29/532216529.db2.gz UBKKTVVUBVOLGP-VFQAQYNWSA-N 1 0 383.286 2.437 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000132632484 532219237 /nfs/dbraw/zinc/21/92/37/532219237.db2.gz HNAKOMRJESKIJK-ZFWWWQNUSA-N 1 0 394.313 2.169 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000178983411 532219229 /nfs/dbraw/zinc/21/92/29/532219229.db2.gz MMKQFJKNQNVDCU-GJZGRUSLSA-N 1 0 384.567 2.419 20 0 GEADRO O=C(Cc1ccc(Cl)c(Cl)c1)NCCCC[NH+]1CCN(CCO)CC1 ZINC000131735950 532202499 /nfs/dbraw/zinc/20/24/99/532202499.db2.gz PDADGPWSIUJGBP-UHFFFAOYSA-N 1 0 388.339 2.042 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cncc(I)c3)CC[C@@H]21 ZINC000133357730 532232434 /nfs/dbraw/zinc/23/24/34/532232434.db2.gz WENRTKOMDSYYQI-RISCZKNCSA-N 1 0 385.249 2.243 20 0 GEADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000179516098 532233544 /nfs/dbraw/zinc/23/35/44/532233544.db2.gz INGDIZCXRANFQY-QWHCGFSZSA-N 1 0 390.285 2.422 20 0 GEADRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cnccn1 ZINC000179556988 532235608 /nfs/dbraw/zinc/23/56/08/532235608.db2.gz OTSBMIOSUSTTOK-NSHDSACASA-N 1 0 375.372 2.500 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000179202143 532224863 /nfs/dbraw/zinc/22/48/63/532224863.db2.gz PVNIHSJXYUPQFT-UONOGXRCSA-N 1 0 396.329 2.415 20 0 GEADRO C[NH+](C)CCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000179215530 532225075 /nfs/dbraw/zinc/22/50/75/532225075.db2.gz YNGKSKKXPZZEBB-UHFFFAOYSA-N 1 0 384.318 2.358 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000133037784 532225309 /nfs/dbraw/zinc/22/53/09/532225309.db2.gz WXEUECMGNVDFLO-CHWSQXEVSA-N 1 0 380.286 2.012 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccnc2Br)([NH+](C)C)C1 ZINC000179552428 532235765 /nfs/dbraw/zinc/23/57/65/532235765.db2.gz XCUYRQLCEOYVMJ-SJKOYZFVSA-N 1 0 397.317 2.409 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179652351 532240099 /nfs/dbraw/zinc/24/00/99/532240099.db2.gz ZIWXYCGLVYDCMD-LBPRGKRZSA-N 1 0 380.290 2.296 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000133712009 532241693 /nfs/dbraw/zinc/24/16/93/532241693.db2.gz HAYVYAFWDLGGJE-PWSUYJOCSA-N 1 0 390.228 2.342 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)C1 ZINC000179809387 532245158 /nfs/dbraw/zinc/24/51/58/532245158.db2.gz NTEVZZMUVCWBTF-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cccnc1Br)C2 ZINC000179817158 532245364 /nfs/dbraw/zinc/24/53/64/532245364.db2.gz AMSASNNLCCERAY-QWHCGFSZSA-N 1 0 395.301 2.256 20 0 GEADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000179829354 532246341 /nfs/dbraw/zinc/24/63/41/532246341.db2.gz ODKGELRKCDAFGY-UHFFFAOYSA-N 1 0 390.228 2.218 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(Br)n1 ZINC000179886443 532248841 /nfs/dbraw/zinc/24/88/41/532248841.db2.gz LOZLMHHXDQZBQD-ZDUSSCGKSA-N 1 0 397.317 2.185 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(Br)n1 ZINC000179593252 532236657 /nfs/dbraw/zinc/23/66/57/532236657.db2.gz VFPTWVQTJVFMAJ-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cnn2cc(Br)cnc12 ZINC000179623165 532238781 /nfs/dbraw/zinc/23/87/81/532238781.db2.gz SFGQCOJAUSMOGL-ZDUSSCGKSA-N 1 0 380.290 2.438 20 0 GEADRO CC[NH+]1CCN(CCC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000180362616 532269690 /nfs/dbraw/zinc/26/96/90/532269690.db2.gz FKMWLBVMSGMKTP-UHFFFAOYSA-N 1 0 383.334 2.005 20 0 GEADRO C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000135314645 532270027 /nfs/dbraw/zinc/27/00/27/532270027.db2.gz KOIGZZOIMCRVLD-FMKPAKJESA-N 1 0 387.571 2.253 20 0 GEADRO OC1(C[NH2+]Cc2ncc(Br)cc2Br)CCOCC1 ZINC000135307278 532270047 /nfs/dbraw/zinc/27/00/47/532270047.db2.gz FTIPZJSFJKMUHM-UHFFFAOYSA-N 1 0 380.080 2.238 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000180412798 532271237 /nfs/dbraw/zinc/27/12/37/532271237.db2.gz NLIIWGZVNVULBR-UHFFFAOYSA-N 1 0 380.539 2.152 20 0 GEADRO COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000135372299 532271408 /nfs/dbraw/zinc/27/14/08/532271408.db2.gz BUGUNFKMZFXELB-INIZCTEOSA-N 1 0 399.285 2.024 20 0 GEADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000180032970 532255102 /nfs/dbraw/zinc/25/51/02/532255102.db2.gz MHTCBZZPQGTKSO-SPCAWNFKSA-N 1 0 384.929 2.319 20 0 GEADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000180337198 532267656 /nfs/dbraw/zinc/26/76/56/532267656.db2.gz NAEZLQMGEVKNEF-SECBINFHSA-N 1 0 384.370 2.489 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)NCC[NH+](C)C)C2=O)ccc1Br ZINC000135586300 532276872 /nfs/dbraw/zinc/27/68/72/532276872.db2.gz VBXUNRZEMXWKPG-OAHLLOKOSA-N 1 0 397.317 2.114 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)NCC[NH+](C)C)C2=O)ccc1Br ZINC000135586277 532277115 /nfs/dbraw/zinc/27/71/15/532277115.db2.gz VBXUNRZEMXWKPG-HNNXBMFYSA-N 1 0 397.317 2.114 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000135646152 532277636 /nfs/dbraw/zinc/27/76/36/532277636.db2.gz URCGGKMZRVIQLA-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO C[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000135764068 532279659 /nfs/dbraw/zinc/27/96/59/532279659.db2.gz GDLSQUWZXQZGMJ-HNNXBMFYSA-N 1 0 381.325 2.383 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc2c(c1)OCO2 ZINC000180801375 532281272 /nfs/dbraw/zinc/28/12/72/532281272.db2.gz BQOAGJZGUYZNPE-LLVKDONJSA-N 1 0 376.425 2.330 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1 ZINC000181117611 532291647 /nfs/dbraw/zinc/29/16/47/532291647.db2.gz DXPQITYVGUXSRC-KTAKPFMOSA-N 1 0 388.555 2.455 20 0 GEADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)Cn2cc(Br)cn2)C1=O ZINC000181287949 532294875 /nfs/dbraw/zinc/29/48/75/532294875.db2.gz KLWALFZTZKTZGP-TZMCWYRMSA-N 1 0 393.285 2.438 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000142018942 532295207 /nfs/dbraw/zinc/29/52/07/532295207.db2.gz FFSUQRZKDDYGFC-OAHLLOKOSA-N 1 0 389.587 2.241 20 0 GEADRO CN1CC[NH+](CCCSc2nc3sc4c(c3c(=O)n2C)CCC4)CC1 ZINC000181300101 532295332 /nfs/dbraw/zinc/29/53/32/532295332.db2.gz PEXDVYDBXDLGGN-UHFFFAOYSA-N 1 0 378.567 2.213 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccnc1Br)c1cccs1 ZINC000181336766 532295796 /nfs/dbraw/zinc/29/57/96/532295796.db2.gz AVJNBVSRJHKIDI-NSHDSACASA-N 1 0 397.298 2.263 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2sc(CCOC)nc2C)CC1 ZINC000181380952 532297115 /nfs/dbraw/zinc/29/71/15/532297115.db2.gz FQDLRHBERAWOKV-CYBMUJFWSA-N 1 0 389.587 2.495 20 0 GEADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)s1 ZINC000181391568 532297285 /nfs/dbraw/zinc/29/72/85/532297285.db2.gz SWFOFNOPBPMMMY-KDOFPFPSSA-N 1 0 385.599 2.499 20 0 GEADRO Cn1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000181435778 532298718 /nfs/dbraw/zinc/29/87/18/532298718.db2.gz TUFKWFODRPGKFK-UHFFFAOYSA-N 1 0 379.302 2.316 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000181511168 532300407 /nfs/dbraw/zinc/30/04/07/532300407.db2.gz PPFAWQLQVMXMNY-CYBMUJFWSA-N 1 0 382.507 2.457 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccccc1Br ZINC000150882252 532303377 /nfs/dbraw/zinc/30/33/77/532303377.db2.gz YAZQLUNJUCQDOR-GFCCVEGCSA-N 1 0 379.320 2.084 20 0 GEADRO COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000181675383 532304786 /nfs/dbraw/zinc/30/47/86/532304786.db2.gz WUFVRVZJSQMNLU-NWDGAFQWSA-N 1 0 376.906 2.289 20 0 GEADRO NC(=O)C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000182055186 532308731 /nfs/dbraw/zinc/30/87/31/532308731.db2.gz GAQXFVQGPSYUKT-GOEBONIOSA-N 1 0 382.302 2.389 20 0 GEADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc(Br)cc1 ZINC000181968515 532307780 /nfs/dbraw/zinc/30/77/80/532307780.db2.gz PIIJLLGDHWWFLC-ABAIWWIYSA-N 1 0 398.301 2.036 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000151154998 532307795 /nfs/dbraw/zinc/30/77/95/532307795.db2.gz FGDYZHOICKGOCB-INIZCTEOSA-N 1 0 375.270 2.193 20 0 GEADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc(Br)cc1 ZINC000181968555 532307873 /nfs/dbraw/zinc/30/78/73/532307873.db2.gz PIIJLLGDHWWFLC-IAQYHMDHSA-N 1 0 398.301 2.036 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000181955822 532308235 /nfs/dbraw/zinc/30/82/35/532308235.db2.gz XKMSWUKHCKRFMW-UHFFFAOYSA-N 1 0 388.281 2.118 20 0 GEADRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000182131550 532309575 /nfs/dbraw/zinc/30/95/75/532309575.db2.gz OEMCEKUTRXXYOU-ZBFHGGJFSA-N 1 0 384.567 2.485 20 0 GEADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000182380238 532312476 /nfs/dbraw/zinc/31/24/76/532312476.db2.gz JSNSZDRJRQJPQR-IRXDYDNUSA-N 1 0 375.579 2.174 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000182433815 532313248 /nfs/dbraw/zinc/31/32/48/532313248.db2.gz CSROQVVPNRCLPQ-CQSZACIVSA-N 1 0 377.432 2.236 20 0 GEADRO Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cnc1Br ZINC000182433683 532313323 /nfs/dbraw/zinc/31/33/23/532313323.db2.gz JERBPBJCIFYFHH-LBPRGKRZSA-N 1 0 384.322 2.158 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000182581918 532315074 /nfs/dbraw/zinc/31/50/74/532315074.db2.gz VDLMWISMQYYZBL-RYUDHWBXSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)cnc1Br ZINC000182677745 532316562 /nfs/dbraw/zinc/31/65/62/532316562.db2.gz VXBZCLCPZOMRNX-ZDUSSCGKSA-N 1 0 385.306 2.184 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cnc1Br ZINC000182820685 532318162 /nfs/dbraw/zinc/31/81/62/532318162.db2.gz KVEYPESIBSEVKW-WCQYABFASA-N 1 0 383.290 2.080 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cnc1Br ZINC000182838750 532318537 /nfs/dbraw/zinc/31/85/37/532318537.db2.gz RFEHLHCUHGWSRH-OCCSQVGLSA-N 1 0 395.301 2.034 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)NCc1sccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183009773 532320762 /nfs/dbraw/zinc/32/07/62/532320762.db2.gz PFLYPZUTVBXYKO-OAHLLOKOSA-N 1 0 381.523 2.061 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185060942 532336688 /nfs/dbraw/zinc/33/66/88/532336688.db2.gz ZSEXFWOKRMRDAR-UHFFFAOYSA-N 1 0 397.317 2.432 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185235338 532337319 /nfs/dbraw/zinc/33/73/19/532337319.db2.gz GAFCVAZZOUXQMD-UHFFFAOYSA-N 1 0 395.294 2.312 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000185582572 532338073 /nfs/dbraw/zinc/33/80/73/532338073.db2.gz WHRSXBWVVHELRJ-UHFFFAOYSA-N 1 0 385.306 2.371 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000185641464 532338302 /nfs/dbraw/zinc/33/83/02/532338302.db2.gz APHHPSKKKQIORP-UHFFFAOYSA-N 1 0 377.304 2.222 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000185775011 532338577 /nfs/dbraw/zinc/33/85/77/532338577.db2.gz DNCXBFKJJDMNHG-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000185889907 532339009 /nfs/dbraw/zinc/33/90/09/532339009.db2.gz STFFUUYXJWAYLR-INIZCTEOSA-N 1 0 380.275 2.409 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000185934705 532339107 /nfs/dbraw/zinc/33/91/07/532339107.db2.gz DMYMPCKLVLIJAU-ZYHUDNBSSA-N 1 0 389.315 2.361 20 0 GEADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185943525 532339171 /nfs/dbraw/zinc/33/91/71/532339171.db2.gz CMRFKGZXBCFXHQ-QGZVFWFLSA-N 1 0 380.897 2.071 20 0 GEADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)NCC(=O)OC ZINC000185930107 532339214 /nfs/dbraw/zinc/33/92/14/532339214.db2.gz ZYIFOUAZFGVIMU-CQSZACIVSA-N 1 0 385.302 2.381 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000186147703 532340009 /nfs/dbraw/zinc/34/00/09/532340009.db2.gz OYHZBIXTAIECCQ-UONOGXRCSA-N 1 0 384.318 2.354 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000186717853 532341831 /nfs/dbraw/zinc/34/18/31/532341831.db2.gz NQIXKMVUAILAFR-WBMJQRKESA-N 1 0 387.933 2.098 20 0 GEADRO Cc1nc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1Br ZINC000186779726 532341877 /nfs/dbraw/zinc/34/18/77/532341877.db2.gz MCIGYFOYAXGMIT-NSHDSACASA-N 1 0 385.306 2.461 20 0 GEADRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000186789776 532341953 /nfs/dbraw/zinc/34/19/53/532341953.db2.gz RIEURHKPMJCRKI-HZMBPMFUSA-N 1 0 378.274 2.066 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187007859 532342967 /nfs/dbraw/zinc/34/29/67/532342967.db2.gz MYEDJICYJMXZON-JTQLQIEISA-N 1 0 382.299 2.305 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CCc2c1cccc2Br ZINC000187142024 532343375 /nfs/dbraw/zinc/34/33/75/532343375.db2.gz JELCTEPLZYYITF-MRXNPFEDSA-N 1 0 382.302 2.458 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000187167955 532343405 /nfs/dbraw/zinc/34/34/05/532343405.db2.gz ZEDKEKWUIXUFGQ-NSHDSACASA-N 1 0 399.866 2.273 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000183656154 532327344 /nfs/dbraw/zinc/32/73/44/532327344.db2.gz LOKRRQXEHFVZOA-SNVBAGLBSA-N 1 0 395.294 2.217 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183705738 532327937 /nfs/dbraw/zinc/32/79/37/532327937.db2.gz KWBDSODNGWBGBR-LLVKDONJSA-N 1 0 396.285 2.336 20 0 GEADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc3c(cc1Br)NC(=O)CO3)C2 ZINC000183738303 532328445 /nfs/dbraw/zinc/32/84/45/532328445.db2.gz QDTYKZDWTUIJLZ-WDEREUQCSA-N 1 0 394.269 2.089 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1ccccc1Br ZINC000184330424 532331874 /nfs/dbraw/zinc/33/18/74/532331874.db2.gz AFTZFWGINJTPIM-GJZGRUSLSA-N 1 0 398.345 2.359 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000184320141 532331974 /nfs/dbraw/zinc/33/19/74/532331974.db2.gz JUSFYJMAPFCJKR-BBRMVZONSA-N 1 0 396.329 2.067 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000184666254 532334065 /nfs/dbraw/zinc/33/40/65/532334065.db2.gz QESDSTMUARMPSW-GFCCVEGCSA-N 1 0 398.301 2.115 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000187864353 532345890 /nfs/dbraw/zinc/34/58/90/532345890.db2.gz VKJYNLUTAXYTRW-JTQLQIEISA-N 1 0 384.304 2.047 20 0 GEADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nccn2Cc2ccc(Br)cc2)C1 ZINC000187877605 532345985 /nfs/dbraw/zinc/34/59/85/532345985.db2.gz SAMUCXZGRUOOOI-UONOGXRCSA-N 1 0 379.258 2.009 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000187996280 532346226 /nfs/dbraw/zinc/34/62/26/532346226.db2.gz YHTAPVNALAGHIQ-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)sc1Cl ZINC000188035512 532346334 /nfs/dbraw/zinc/34/63/34/532346334.db2.gz LRCPENLXEUEWIN-GFCCVEGCSA-N 1 0 380.963 2.423 20 0 GEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CSCCS1 ZINC000188135123 532346942 /nfs/dbraw/zinc/34/69/42/532346942.db2.gz MYJBXSZTFQKEFR-IEBWSBKVSA-N 1 0 380.579 2.321 20 0 GEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CSCC(F)(F)F ZINC000188183728 532347149 /nfs/dbraw/zinc/34/71/49/532347149.db2.gz HRIPEPSNOKCLQT-MRXNPFEDSA-N 1 0 376.444 2.377 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000188419101 532348004 /nfs/dbraw/zinc/34/80/04/532348004.db2.gz GCPIWEZKUSRVEP-LBPRGKRZSA-N 1 0 375.332 2.251 20 0 GEADRO O=C(Nc1cccc(Br)n1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188636567 532348889 /nfs/dbraw/zinc/34/88/89/532348889.db2.gz ISYHPZGVPUBPDS-GFCCVEGCSA-N 1 0 383.290 2.467 20 0 GEADRO C[C@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000188659668 532349037 /nfs/dbraw/zinc/34/90/37/532349037.db2.gz YNQMADMBZFRIQQ-LBPRGKRZSA-N 1 0 387.293 2.434 20 0 GEADRO C[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000188695355 532349174 /nfs/dbraw/zinc/34/91/74/532349174.db2.gz KCDDDOJIFUFGJR-NSHDSACASA-N 1 0 395.301 2.243 20 0 GEADRO O=C1OCCN1CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188722590 532349409 /nfs/dbraw/zinc/34/94/09/532349409.db2.gz OMWCZOPWSJMDIM-UHFFFAOYSA-N 1 0 398.301 2.218 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1Br ZINC000188753231 532349567 /nfs/dbraw/zinc/34/95/67/532349567.db2.gz UMCBEZQNYMCTEA-LLVKDONJSA-N 1 0 398.301 2.385 20 0 GEADRO COc1cc(Br)ccc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188754467 532349591 /nfs/dbraw/zinc/34/95/91/532349591.db2.gz ZSVYCHGMQYIUBB-LBPRGKRZSA-N 1 0 385.302 2.375 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000191351981 532360643 /nfs/dbraw/zinc/36/06/43/532360643.db2.gz JXJIASXPDSWBOP-HNNXBMFYSA-N 1 0 395.345 2.395 20 0 GEADRO COC[C@H](O)C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191350178 532360645 /nfs/dbraw/zinc/36/06/45/532360645.db2.gz FYOVYCHHYBRTHO-CYBMUJFWSA-N 1 0 376.291 2.038 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3ncc(Br)s3)cn2)CC1 ZINC000188955162 532350415 /nfs/dbraw/zinc/35/04/15/532350415.db2.gz SIMXYDLTSCAFBO-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000189219550 532351428 /nfs/dbraw/zinc/35/14/28/532351428.db2.gz CARQKDJSIXIIED-UHFFFAOYSA-N 1 0 399.333 2.162 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000189270090 532351677 /nfs/dbraw/zinc/35/16/77/532351677.db2.gz MJTDHOVMPAZOJF-UHFFFAOYSA-N 1 0 383.290 2.115 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000189282366 532351683 /nfs/dbraw/zinc/35/16/83/532351683.db2.gz KEEBVPUQXPQRMK-UHFFFAOYSA-N 1 0 384.318 2.485 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccccc3Br)o2)[C@H](C)C1 ZINC000189563321 532352776 /nfs/dbraw/zinc/35/27/76/532352776.db2.gz RIKRLMPUTRYVQW-CHWSQXEVSA-N 1 0 395.301 2.386 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000189731087 532353367 /nfs/dbraw/zinc/35/33/67/532353367.db2.gz ABNVQALSYRPCJP-HZMBPMFUSA-N 1 0 388.249 2.241 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189942432 532354100 /nfs/dbraw/zinc/35/41/00/532354100.db2.gz IJHDMRZXLVHLOY-AWEZNQCLSA-N 1 0 380.432 2.181 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190013643 532354515 /nfs/dbraw/zinc/35/45/15/532354515.db2.gz GSVNBAGRPKBTAK-CYBMUJFWSA-N 1 0 380.286 2.474 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cnc1Br ZINC000190036120 532354573 /nfs/dbraw/zinc/35/45/73/532354573.db2.gz OQDZEKXNZIVTLI-CQSZACIVSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000190073797 532354655 /nfs/dbraw/zinc/35/46/55/532354655.db2.gz XMQOHSCXKJZSGX-GXTWGEPZSA-N 1 0 380.286 2.391 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000190095249 532354829 /nfs/dbraw/zinc/35/48/29/532354829.db2.gz UXJMPYBVGQZLGO-LBPRGKRZSA-N 1 0 376.544 2.488 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc(Br)c(F)cc2F)CC1=O ZINC000190241998 532355391 /nfs/dbraw/zinc/35/53/91/532355391.db2.gz LRXBBRSDZQZPIV-VIFPVBQESA-N 1 0 390.228 2.076 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](C)c2cccc(Br)c2)C1 ZINC000190282143 532355473 /nfs/dbraw/zinc/35/54/73/532355473.db2.gz UVHCFBURKUYJNG-GFCCVEGCSA-N 1 0 375.332 2.424 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190321932 532355597 /nfs/dbraw/zinc/35/55/97/532355597.db2.gz LSFGSWGVSHLPHP-UHFFFAOYSA-N 1 0 380.247 2.156 20 0 GEADRO C[C@@H](C[N@H+](C)C[C@H](O)CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000190353727 532355688 /nfs/dbraw/zinc/35/56/88/532355688.db2.gz KFBKZQHFMBPFJG-KBPBESRZSA-N 1 0 377.312 2.386 20 0 GEADRO COCCN(Cc1sccc1Br)Cc1cc(=O)n2nccc2[nH]1 ZINC000191433032 532360803 /nfs/dbraw/zinc/36/08/03/532360803.db2.gz LJNSZYZUPWZYLO-UHFFFAOYSA-N 1 0 397.298 2.495 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000190439624 532356183 /nfs/dbraw/zinc/35/61/83/532356183.db2.gz CUSLQZAEKOVJDM-SNVBAGLBSA-N 1 0 384.274 2.439 20 0 GEADRO CNC(=O)C[NH+]1CCC(N[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000190516672 532356515 /nfs/dbraw/zinc/35/65/15/532356515.db2.gz VLMNLJUSXUNPCR-INIZCTEOSA-N 1 0 388.295 2.008 20 0 GEADRO CNC(=O)C[NH+]1CCC(N[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000190516692 532356551 /nfs/dbraw/zinc/35/65/51/532356551.db2.gz VLMNLJUSXUNPCR-MRXNPFEDSA-N 1 0 388.295 2.008 20 0 GEADRO C[C@@H]1CN(CCN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCO1 ZINC000191430506 532360831 /nfs/dbraw/zinc/36/08/31/532360831.db2.gz ZJEUWBBPGORZIQ-CQSZACIVSA-N 1 0 386.323 2.472 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190800217 532358044 /nfs/dbraw/zinc/35/80/44/532358044.db2.gz JXLALWBTCUEHRS-QGZVFWFLSA-N 1 0 390.933 2.110 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)CCN1CCO[C@H](C)C1 ZINC000191419763 532360852 /nfs/dbraw/zinc/36/08/52/532360852.db2.gz YWJLBHXLNMDZJS-CQSZACIVSA-N 1 0 384.318 2.349 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000191199511 532359846 /nfs/dbraw/zinc/35/98/46/532359846.db2.gz RPMUEHSTLRBTMF-VIFPVBQESA-N 1 0 390.228 2.076 20 0 GEADRO Cn1cc([C@@H]2CSCCN2Cc2cc(=O)n3cc(Cl)ccc3n2)cn1 ZINC000191214091 532359874 /nfs/dbraw/zinc/35/98/74/532359874.db2.gz RJICLYAEWXRONT-HNNXBMFYSA-N 1 0 375.885 2.372 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1cc(Br)cs1 ZINC000187556567 532344817 /nfs/dbraw/zinc/34/48/17/532344817.db2.gz IURQQDHLWDHISZ-NSHDSACASA-N 1 0 390.347 2.497 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NCC2([NH3+])CCC2)cc1Cl ZINC000647247838 532372081 /nfs/dbraw/zinc/37/20/81/532372081.db2.gz DLBTUGKWADFQFO-UHFFFAOYSA-N 1 0 383.297 2.178 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000647255743 532372338 /nfs/dbraw/zinc/37/23/38/532372338.db2.gz OANSXWTYZFYNMZ-DZGCQCFKSA-N 1 0 390.933 2.372 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000278049874 532372472 /nfs/dbraw/zinc/37/24/72/532372472.db2.gz JCUNGRRKJQNGSK-NSHDSACASA-N 1 0 391.269 2.004 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2c(cc1Br)OCO2 ZINC000621913493 532372471 /nfs/dbraw/zinc/37/24/71/532372471.db2.gz QPFQWAFWNUHZBP-GFCCVEGCSA-N 1 0 397.269 2.161 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000621959789 532372817 /nfs/dbraw/zinc/37/28/17/532372817.db2.gz FFIIWKKWHRAKIX-SFHVURJKSA-N 1 0 398.345 2.482 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647264118 532373249 /nfs/dbraw/zinc/37/32/49/532373249.db2.gz QUBHEEWLUJCZMI-WCQYABFASA-N 1 0 389.315 2.139 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000590479291 532374070 /nfs/dbraw/zinc/37/40/70/532374070.db2.gz XQVMPAIZZUBLOK-BBRMVZONSA-N 1 0 396.329 2.366 20 0 GEADRO CN(C)CC[NH+]1CCC(CNC(=O)Cc2cscc2Br)CC1 ZINC000294653238 532374656 /nfs/dbraw/zinc/37/46/56/532374656.db2.gz GWTCRIXPINHROE-UHFFFAOYSA-N 1 0 388.375 2.443 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425214818 532375321 /nfs/dbraw/zinc/37/53/21/532375321.db2.gz KNCWFZIBYRGISJ-BLLLJJGKSA-N 1 0 386.901 2.231 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000463543028 532377195 /nfs/dbraw/zinc/37/71/95/532377195.db2.gz KJHLFJUEHDSFSJ-LBPRGKRZSA-N 1 0 388.295 2.076 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Cc1ccc(I)cc1 ZINC000516062839 532377410 /nfs/dbraw/zinc/37/74/10/532377410.db2.gz HVBKURSISLYBEH-FFMGESDNSA-N 1 0 384.261 2.466 20 0 GEADRO CCc1nnc2n1C[C@H]([NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC)CC2 ZINC000372233098 532377853 /nfs/dbraw/zinc/37/78/53/532377853.db2.gz RQBVLTCJZMAJID-CYBMUJFWSA-N 1 0 382.917 2.392 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000516089811 532378156 /nfs/dbraw/zinc/37/81/56/532378156.db2.gz XZKYSNLOUUTMSY-JTQLQIEISA-N 1 0 395.294 2.169 20 0 GEADRO O[C@@H](CN1CCOCC1)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191463928 532361117 /nfs/dbraw/zinc/36/11/17/532361117.db2.gz WFUTZTRRPVMTCJ-SFHVURJKSA-N 1 0 383.330 2.354 20 0 GEADRO CC1([NH3+])CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000646992516 532363630 /nfs/dbraw/zinc/36/36/30/532363630.db2.gz NPCFBBNYZSWVOK-UHFFFAOYSA-N 1 0 386.265 2.048 20 0 GEADRO CC[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647003144 532363800 /nfs/dbraw/zinc/36/38/00/532363800.db2.gz PWHGUBVYLJJSPC-IUODEOHRSA-N 1 0 382.302 2.155 20 0 GEADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cc(Br)c[nH]c1=O ZINC000621668146 532363893 /nfs/dbraw/zinc/36/38/93/532363893.db2.gz WIRGLMDDIPJFNA-AWEZNQCLSA-N 1 0 378.226 2.463 20 0 GEADRO CSCC[C@@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425082874 532363934 /nfs/dbraw/zinc/36/39/34/532363934.db2.gz PGHMDJHHSHKZIJ-LLVKDONJSA-N 1 0 385.559 2.028 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1ccc(=O)[nH]n1 ZINC000425096771 532364477 /nfs/dbraw/zinc/36/44/77/532364477.db2.gz FXHFTHHSQYXQHG-UHFFFAOYSA-N 1 0 394.273 2.195 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)C2)C1 ZINC000647035307 532364698 /nfs/dbraw/zinc/36/46/98/532364698.db2.gz YRVOJRKIGIRSGT-GOSISDBHSA-N 1 0 390.281 2.458 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC[N@H+](C)CC1 ZINC000294509612 532364594 /nfs/dbraw/zinc/36/45/94/532364594.db2.gz CRJBMNODNVCVRU-CYBMUJFWSA-N 1 0 384.318 2.100 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cc(Br)c[nH]c2=O)C1 ZINC000621668620 532364722 /nfs/dbraw/zinc/36/47/22/532364722.db2.gz MGXQYXVTVZTAMP-KWCYVHTRSA-N 1 0 384.274 2.051 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000372231248 532378499 /nfs/dbraw/zinc/37/84/99/532378499.db2.gz LCOQXWIINXGTQG-QXMXGUDHSA-N 1 0 386.901 2.278 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1ccncn1 ZINC000425097476 532365233 /nfs/dbraw/zinc/36/52/33/532365233.db2.gz HUAQOVJLLWPSLJ-UHFFFAOYSA-N 1 0 378.274 2.489 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000590000063 532365627 /nfs/dbraw/zinc/36/56/27/532365627.db2.gz MIMBXZBKZQBNGQ-UHFFFAOYSA-N 1 0 387.571 2.125 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000589981736 532365886 /nfs/dbraw/zinc/36/58/86/532365886.db2.gz IDANGXAWUVSYPZ-KBPBESRZSA-N 1 0 394.313 2.355 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCc1nnc[nH]1 ZINC000425100223 532365883 /nfs/dbraw/zinc/36/58/83/532365883.db2.gz SVQSOPIMUGEOHJ-UHFFFAOYSA-N 1 0 395.305 2.136 20 0 GEADRO O=C(CNC(=O)c1ccc(C(F)(F)F)s1)NCC[NH+]1CCCCCC1 ZINC000647083029 532366194 /nfs/dbraw/zinc/36/61/94/532366194.db2.gz PTRCYORFUUAKHK-UHFFFAOYSA-N 1 0 377.432 2.489 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C2 ZINC000621697485 532366289 /nfs/dbraw/zinc/36/62/89/532366289.db2.gz IIUWYRBWIXPGEC-SIIHOXLZSA-N 1 0 379.913 2.195 20 0 GEADRO Cc1nc(NC(=O)C[C@H]2CSCC[NH2+]2)ccc1I ZINC000463148590 532366493 /nfs/dbraw/zinc/36/64/93/532366493.db2.gz XEFPXHKDJVUWMG-VIFPVBQESA-N 1 0 377.251 2.028 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc(Br)c[nH]c2=O)C[C@H](C)O1 ZINC000621723897 532366522 /nfs/dbraw/zinc/36/65/22/532366522.db2.gz ULEPIBFDMXONRY-SCRDCRAPSA-N 1 0 398.301 2.264 20 0 GEADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000647083829 532366515 /nfs/dbraw/zinc/36/65/15/532366515.db2.gz UVDGUOCQQIEXSW-SNVBAGLBSA-N 1 0 379.180 2.345 20 0 GEADRO NC(=O)C[C@H]([NH2+]Cc1nc2ccc(Br)cc2o1)C1CCOCC1 ZINC000463130952 532367126 /nfs/dbraw/zinc/36/71/26/532367126.db2.gz XWYPZTOZTDBWMC-ZDUSSCGKSA-N 1 0 382.258 2.351 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)C[C@H]1C ZINC000677182043 532367164 /nfs/dbraw/zinc/36/71/64/532367164.db2.gz BBXUOLFDFFBYOK-MNOVXSKESA-N 1 0 388.331 2.182 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463089422 532367295 /nfs/dbraw/zinc/36/72/95/532367295.db2.gz PUWYCCTZSGOMGS-UHFFFAOYSA-N 1 0 395.301 2.186 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000463192292 532368106 /nfs/dbraw/zinc/36/81/06/532368106.db2.gz RTZJOSLLKSQBAH-JTQLQIEISA-N 1 0 398.248 2.239 20 0 GEADRO Brc1ccc(CN(CCn2ccnc2)CC[N@@H+]2CCCOCC2)o1 ZINC000463205146 532368247 /nfs/dbraw/zinc/36/82/47/532368247.db2.gz UGLFEKCCNWCVNZ-UHFFFAOYSA-N 1 0 397.317 2.463 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000463192294 532368647 /nfs/dbraw/zinc/36/86/47/532368647.db2.gz RTZJOSLLKSQBAH-SNVBAGLBSA-N 1 0 398.248 2.239 20 0 GEADRO O=C(CSCc1cc(-c2cccs2)on1)N[C@H](CO)C[NH+]1CCCC1 ZINC000590371019 532368812 /nfs/dbraw/zinc/36/88/12/532368812.db2.gz CMDKGGZCKWBCJV-AWEZNQCLSA-N 1 0 381.523 2.209 20 0 GEADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000515559974 532369038 /nfs/dbraw/zinc/36/90/38/532369038.db2.gz XRSNQOMUUSCOCL-UHFFFAOYSA-N 1 0 378.416 2.457 20 0 GEADRO C[C@@H](NC(=O)c1cc(Br)c[nH]c1=O)C1([NH+]2CCOCC2)CCCC1 ZINC000621884292 532369635 /nfs/dbraw/zinc/36/96/35/532369635.db2.gz JCDNWBXYESKRDY-GFCCVEGCSA-N 1 0 398.301 2.313 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3c(F)cccc3Cl)C2)CC1 ZINC000372063901 532370375 /nfs/dbraw/zinc/37/03/75/532370375.db2.gz WXWZABKSWLNCJB-CQSZACIVSA-N 1 0 389.924 2.268 20 0 GEADRO C[N@H+](Cc1ccccc1)C1CN(c2cc(Br)cnc2C(N)=O)C1 ZINC000557735944 532371839 /nfs/dbraw/zinc/37/18/39/532371839.db2.gz GGONSWGMTSCPBX-UHFFFAOYSA-N 1 0 375.270 2.264 20 0 GEADRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cc(Br)nn3C)CC2)C[C@@H](C)O1 ZINC000192025147 532379571 /nfs/dbraw/zinc/37/95/71/532379571.db2.gz SFXFBJYEBZWMIV-CHWSQXEVSA-N 1 0 399.333 2.144 20 0 GEADRO COc1cc2[nH+]ccc(NCC3(S(C)(=O)=O)CC3)c2cc1Br ZINC000425256690 532379791 /nfs/dbraw/zinc/37/97/91/532379791.db2.gz HLRAQCHQVRUDIC-UHFFFAOYSA-N 1 0 385.283 2.417 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000192032801 532379842 /nfs/dbraw/zinc/37/98/42/532379842.db2.gz UZUPIZUJNDPUDK-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)C1CCCCC1 ZINC000463725345 532380654 /nfs/dbraw/zinc/38/06/54/532380654.db2.gz ZEMKBAXJZTUCTP-UHFFFAOYSA-N 1 0 378.420 2.481 20 0 GEADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cccnc2OCC(F)F)CC1 ZINC000647893894 532382179 /nfs/dbraw/zinc/38/21/79/532382179.db2.gz KLSZCMKDSLMRIE-UHFFFAOYSA-N 1 0 377.457 2.219 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000516191549 532382209 /nfs/dbraw/zinc/38/22/09/532382209.db2.gz HAVCWFNYZLVUDW-GFCCVEGCSA-N 1 0 387.933 2.228 20 0 GEADRO Cc1sc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)nc1-c1ccccc1 ZINC000647894345 532382408 /nfs/dbraw/zinc/38/24/08/532382408.db2.gz UJQKPWHGTDJXOD-UHFFFAOYSA-N 1 0 379.507 2.224 20 0 GEADRO C[C@@H](C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000192059560 532382961 /nfs/dbraw/zinc/38/29/61/532382961.db2.gz KITHJAYOEDVFOW-MNOVXSKESA-N 1 0 391.331 2.101 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000294790267 532383050 /nfs/dbraw/zinc/38/30/50/532383050.db2.gz LWEGWUSUQGNNEC-PMPSAXMXSA-N 1 0 377.428 2.481 20 0 GEADRO CN(C(=O)c1csc(S(C)(=O)=O)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000372313632 532383090 /nfs/dbraw/zinc/38/30/90/532383090.db2.gz QCJPXBHPMIWKTR-UHFFFAOYSA-N 1 0 379.507 2.288 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ncc1Br ZINC000278511648 532383351 /nfs/dbraw/zinc/38/33/51/532383351.db2.gz DZMHPHAFDLFMLK-LBPRGKRZSA-N 1 0 397.317 2.280 20 0 GEADRO C[C@H](CNC(=O)N(C)CCn1cc(Br)cn1)C[NH+]1CCCCC1 ZINC000558067209 532384176 /nfs/dbraw/zinc/38/41/76/532384176.db2.gz XWANDGIJKJOVAW-CQSZACIVSA-N 1 0 386.338 2.409 20 0 GEADRO CO[C@H]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@@H](C[NH3+])C1 ZINC000516275119 532384576 /nfs/dbraw/zinc/38/45/76/532384576.db2.gz HILKSVQJRQQXFE-CABCVRRESA-N 1 0 381.270 2.190 20 0 GEADRO O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677867653 532384722 /nfs/dbraw/zinc/38/47/22/532384722.db2.gz MWIDBRFDGHPGFU-LLVKDONJSA-N 1 0 396.314 2.229 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000192081196 532385343 /nfs/dbraw/zinc/38/53/43/532385343.db2.gz GMKOMIVXANFPIA-SNVBAGLBSA-N 1 0 386.677 2.348 20 0 GEADRO CC[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[C@@H]1[NH3+] ZINC000648124789 532385820 /nfs/dbraw/zinc/38/58/20/532385820.db2.gz CHFHWBNXWGPTDN-MFKMUULPSA-N 1 0 378.270 2.490 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000648125709 532385952 /nfs/dbraw/zinc/38/59/52/532385952.db2.gz TZDHEYOHVOTQSN-KCXAZCMYSA-N 1 0 381.929 2.441 20 0 GEADRO C[N@H+](CCSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)Cc1ccccc1 ZINC000278540073 532385975 /nfs/dbraw/zinc/38/59/75/532385975.db2.gz JRDGGXQGPSQOHV-HNNXBMFYSA-N 1 0 381.523 2.271 20 0 GEADRO CN(CC(=O)NCC1([NH3+])CCCCCC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000558154230 532386641 /nfs/dbraw/zinc/38/66/41/532386641.db2.gz PYKVUTLJPAIEKK-UHFFFAOYSA-N 1 0 393.962 2.190 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)C1 ZINC000590812371 532386777 /nfs/dbraw/zinc/38/67/77/532386777.db2.gz SIAFOPRRUPFEGW-GFCCVEGCSA-N 1 0 386.290 2.103 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)c(F)cc1F ZINC000192124635 532387864 /nfs/dbraw/zinc/38/78/64/532387864.db2.gz FPFGEFXSHLTDNO-UHFFFAOYSA-N 1 0 377.229 2.304 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000558208910 532388166 /nfs/dbraw/zinc/38/81/66/532388166.db2.gz JPPFRXXJMFIXCO-DOMZBBRYSA-N 1 0 382.302 2.006 20 0 GEADRO CC[C@@H]([NH2+][C@@H](CCOC)COC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000516605556 532388328 /nfs/dbraw/zinc/38/83/28/532388328.db2.gz KCHZSXVZIDWEFL-DZGCQCFKSA-N 1 0 378.922 2.340 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cnc3c(Br)cccn23)[C@H](C)C1 ZINC000425672870 532388541 /nfs/dbraw/zinc/38/85/41/532388541.db2.gz LVOFIZBQFLDRCL-NEPJUHHUSA-N 1 0 396.289 2.016 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)Nc1cnc2c(Br)cccn12 ZINC000425679020 532389673 /nfs/dbraw/zinc/38/96/73/532389673.db2.gz YGWFCFUDOIIUJF-UHFFFAOYSA-N 1 0 384.278 2.187 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000425680048 532390168 /nfs/dbraw/zinc/39/01/68/532390168.db2.gz ZKYXBENANDIXCI-LBPRGKRZSA-N 1 0 396.289 2.017 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1cc(F)c(Br)cc1F ZINC000623910492 532390668 /nfs/dbraw/zinc/39/06/68/532390668.db2.gz QRUWWOFNEUSVPO-NXEZZACHSA-N 1 0 377.229 2.361 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000425734072 532391356 /nfs/dbraw/zinc/39/13/56/532391356.db2.gz BJYMJBMGSKXPGV-LLVKDONJSA-N 1 0 375.803 2.433 20 0 GEADRO C[C@@H](O)C[NH+]1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000623936362 532391504 /nfs/dbraw/zinc/39/15/04/532391504.db2.gz SWPKRFPAQSWQQY-CYBMUJFWSA-N 1 0 377.286 2.409 20 0 GEADRO OCC[N@@H+]1CCCN(c2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000623941613 532391616 /nfs/dbraw/zinc/39/16/16/532391616.db2.gz YMNWJOMLAHYOFS-UHFFFAOYSA-N 1 0 377.286 2.411 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C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000559049882 532400633 /nfs/dbraw/zinc/40/06/33/532400633.db2.gz BKVTXRJTDCOOMN-UHFFFAOYSA-N 1 0 376.469 2.233 20 0 GEADRO COC(=O)CC[N@H+](CCN1CCCC1=O)Cc1cccc(Br)c1 ZINC000192328660 532403062 /nfs/dbraw/zinc/40/30/62/532403062.db2.gz CSVVCUDOZSDMMC-UHFFFAOYSA-N 1 0 383.286 2.437 20 0 GEADRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CC1 ZINC000559443843 532403240 /nfs/dbraw/zinc/40/32/40/532403240.db2.gz UEAFHQOWNWRSSL-MRXNPFEDSA-N 1 0 388.917 2.069 20 0 GEADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000295110579 532404180 /nfs/dbraw/zinc/40/41/80/532404180.db2.gz HNJMGSNSVFDUTM-UHFFFAOYSA-N 1 0 384.727 2.458 20 0 GEADRO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)(C)O ZINC000295108746 532404215 /nfs/dbraw/zinc/40/42/15/532404215.db2.gz XAUSHYTZDGKKQF-ZANVPECISA-N 1 0 379.320 2.297 20 0 GEADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cccnc2OCC(F)F)CC1 ZINC000625015155 532404231 /nfs/dbraw/zinc/40/42/31/532404231.db2.gz CXJYVNFLXCKUPK-UHFFFAOYSA-N 1 0 377.457 2.126 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)CCO1 ZINC000591288429 532404664 /nfs/dbraw/zinc/40/46/64/532404664.db2.gz OAFYTTRXEXPSIG-UFBFGSQYSA-N 1 0 393.200 2.010 20 0 GEADRO Cc1cc(I)ccc1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000591271925 532404702 /nfs/dbraw/zinc/40/47/02/532404702.db2.gz GSGJAXPZUDBKMN-GWCFXTLKSA-N 1 0 389.237 2.180 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccccc1I ZINC000591271675 532404956 /nfs/dbraw/zinc/40/49/56/532404956.db2.gz NXPJJRZTGZKCTL-UWVGGRQHSA-N 1 0 377.201 2.455 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc(C)c1Br ZINC000426319957 532405010 /nfs/dbraw/zinc/40/50/10/532405010.db2.gz YWIMJIQEHVSDRV-AWEZNQCLSA-N 1 0 382.302 2.461 20 0 GEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000372728539 532405099 /nfs/dbraw/zinc/40/50/99/532405099.db2.gz RDAGPMOULDQPPQ-AWEZNQCLSA-N 1 0 398.320 2.415 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)C[C@H]2C1 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394.313 2.299 20 0 GEADRO C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@@H]1C[NH3+] ZINC000517230078 532409399 /nfs/dbraw/zinc/40/93/99/532409399.db2.gz WTVAXGOKQKTYAX-QWRGUYRKSA-N 1 0 378.270 2.348 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648924193 532409445 /nfs/dbraw/zinc/40/94/45/532409445.db2.gz CMHWSLDTJCCADG-DVOMOZLQSA-N 1 0 399.329 2.065 20 0 GEADRO CCS[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000192761457 532408457 /nfs/dbraw/zinc/40/84/57/532408457.db2.gz QEVXHKAKZBYIAJ-CVEARBPZSA-N 1 0 388.603 2.404 20 0 GEADRO C[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000426437818 532408747 /nfs/dbraw/zinc/40/87/47/532408747.db2.gz ZGGAGTSIOJASEM-HNNXBMFYSA-N 1 0 381.318 2.375 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1c(F)cccc1Br)CCO2 ZINC000280254478 532411675 /nfs/dbraw/zinc/41/16/75/532411675.db2.gz KVBHYBSYFXUHSV-IAQYHMDHSA-N 1 0 392.290 2.414 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c[nH]c2ccc(Br)cc12 ZINC000649079863 532412364 /nfs/dbraw/zinc/41/23/64/532412364.db2.gz LDXKDHULIXJEAD-LLVKDONJSA-N 1 0 393.285 2.122 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000591473900 532412921 /nfs/dbraw/zinc/41/29/21/532412921.db2.gz SMVLFLAYTSBNLL-HNNXBMFYSA-N 1 0 399.329 2.381 20 0 GEADRO CC[C@@H]([NH2+]Cc1cccc(I)c1)C(=O)N1CCOCC1 ZINC000560078913 532413746 /nfs/dbraw/zinc/41/37/46/532413746.db2.gz POIIZOXQBTZWSR-CQSZACIVSA-N 1 0 388.249 2.018 20 0 GEADRO COc1nccc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)n1 ZINC000295168724 532413575 /nfs/dbraw/zinc/41/35/75/532413575.db2.gz LEQVKIXVWKYZKF-UHFFFAOYSA-N 1 0 379.258 2.157 20 0 GEADRO CN1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)C1=O ZINC000372901852 532418688 /nfs/dbraw/zinc/41/86/88/532418688.db2.gz GFNMCMGSRSSHGX-YJBOKZPZSA-N 1 0 397.313 2.133 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)ncc1Br ZINC000193017480 532417285 /nfs/dbraw/zinc/41/72/85/532417285.db2.gz QJHVQFRUWNCDBA-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000517410807 532417365 /nfs/dbraw/zinc/41/73/65/532417365.db2.gz OBWAPJHEIYWGKK-COXVUDFISA-N 1 0 395.345 2.240 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000649216434 532418014 /nfs/dbraw/zinc/41/80/14/532418014.db2.gz ZLKHDPHXCKPEDO-HNNXBMFYSA-N 1 0 377.254 2.029 20 0 GEADRO NC(=O)NC(=O)CC[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000517556512 532420729 /nfs/dbraw/zinc/42/07/29/532420729.db2.gz LTCWXEJHILXFKQ-UHFFFAOYSA-N 1 0 398.179 2.021 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCOc3ccc(Br)cc32)n1 ZINC000649663265 532420813 /nfs/dbraw/zinc/42/08/13/532420813.db2.gz BORVVLJMJGVOOH-ZDUSSCGKSA-N 1 0 393.285 2.712 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000465784605 532419962 /nfs/dbraw/zinc/41/99/62/532419962.db2.gz QGVRXXPXRHPIIU-TZMCWYRMSA-N 1 0 397.317 2.478 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCC[C@H]([NH2+]C)C2)cc1Br ZINC000193334714 532420104 /nfs/dbraw/zinc/42/01/04/532420104.db2.gz RGKRDWVHXNMGFX-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000560546533 532420247 /nfs/dbraw/zinc/42/02/47/532420247.db2.gz VFVFJOBGPHKTOM-LSDHHAIUSA-N 1 0 379.400 2.440 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000591728421 532422357 /nfs/dbraw/zinc/42/23/57/532422357.db2.gz XLCINCHSHQSMBU-LBPRGKRZSA-N 1 0 388.258 2.014 20 0 GEADRO COC[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)[C@H]1CCCO1 ZINC000625379719 532422672 /nfs/dbraw/zinc/42/26/72/532422672.db2.gz ULSGJAJLEKBVPY-HRCADAONSA-N 1 0 383.286 2.486 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000193374520 532422684 /nfs/dbraw/zinc/42/26/84/532422684.db2.gz YVMZKSBJSGRPMO-UHFFFAOYSA-N 1 0 377.304 2.126 20 0 GEADRO CCC[NH2+]CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000193346660 532421211 /nfs/dbraw/zinc/42/12/11/532421211.db2.gz BJEBKWITSLNFFC-ZDUSSCGKSA-N 1 0 376.906 2.033 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+]CCc1ccc(I)s1 ZINC000591735510 532421385 /nfs/dbraw/zinc/42/13/85/532421385.db2.gz QMCYPQNYVQBBIH-JTQLQIEISA-N 1 0 397.278 2.189 20 0 GEADRO CN(C)c1cc[nH+]c(NC(=O)CNC(=O)c2ccc(Br)cc2)c1 ZINC000681201316 532424092 /nfs/dbraw/zinc/42/40/92/532424092.db2.gz WINZWDULLJSTSZ-UHFFFAOYSA-N 1 0 377.242 2.279 20 0 GEADRO C[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)Oc1cccc(Br)c1 ZINC000466296357 532424861 /nfs/dbraw/zinc/42/48/61/532424861.db2.gz GVWUHFWCQSEQAV-ZDUSSCGKSA-N 1 0 393.285 2.445 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427438008 532425289 /nfs/dbraw/zinc/42/52/89/532425289.db2.gz BGBZZPKECJUARA-YOEHRIQHSA-N 1 0 381.314 2.343 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000625419754 532425381 /nfs/dbraw/zinc/42/53/81/532425381.db2.gz KLSMXRSTBGSZCR-ZDUSSCGKSA-N 1 0 377.913 2.477 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(=O)n1C ZINC000373004196 532425642 /nfs/dbraw/zinc/42/56/42/532425642.db2.gz 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CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000518973692 532451370 /nfs/dbraw/zinc/45/13/70/532451370.db2.gz FYMHMKJHBNNSOE-ZDUSSCGKSA-N 1 0 385.917 2.377 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000194801394 532457446 /nfs/dbraw/zinc/45/74/46/532457446.db2.gz BHTQSMCLPUHVFR-SFHVURJKSA-N 1 0 381.929 2.359 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)C1 ZINC000428418519 532453716 /nfs/dbraw/zinc/45/37/16/532453716.db2.gz GHOVPHUCXRRZQF-WFASDCNBSA-N 1 0 382.302 2.024 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@@H]2C1 ZINC000282285317 532454679 /nfs/dbraw/zinc/45/46/79/532454679.db2.gz JYZRTIMESMEBFI-AOOOYVTPSA-N 1 0 379.707 2.285 20 0 GEADRO [NH3+]CCc1nc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cs1 ZINC000194784576 532455454 /nfs/dbraw/zinc/45/54/54/532455454.db2.gz BMIRXYYSKCRTAH-UHFFFAOYSA-N 1 0 397.298 2.165 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194760383 532456372 /nfs/dbraw/zinc/45/63/72/532456372.db2.gz SXORNPLEBIPGFR-UHFFFAOYSA-N 1 0 375.210 2.308 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(C[NH3+])CC1 ZINC000428821401 532462074 /nfs/dbraw/zinc/46/20/74/532462074.db2.gz UUMUEVTVDSBTEW-MRXNPFEDSA-N 1 0 396.329 2.401 20 0 GEADRO CCCS(=O)(=O)Nc1cccc(NC(=O)c2csc(CC[NH3+])n2)c1C ZINC000194787133 532458029 /nfs/dbraw/zinc/45/80/29/532458029.db2.gz NKRKMRDWXJUOSH-UHFFFAOYSA-N 1 0 382.511 2.357 20 0 GEADRO C[C@H]1CN(C(=O)c2csc(C(F)(F)F)n2)CCN1C1CC[NH+](C)CC1 ZINC000373586817 532458936 /nfs/dbraw/zinc/45/89/36/532458936.db2.gz CHIPZTZBBYGHGB-NSHDSACASA-N 1 0 376.448 2.402 20 0 GEADRO O=C(NC1CC[NH2+]CC1)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000428732235 532460202 /nfs/dbraw/zinc/46/02/02/532460202.db2.gz MPLDFDVMKKPVGW-UHFFFAOYSA-N 1 0 385.555 2.231 20 0 GEADRO C[C@H]([NH3+])CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC000194851269 532460920 /nfs/dbraw/zinc/46/09/20/532460920.db2.gz LHEFNXQTESTCHZ-ZETCQYMHSA-N 1 0 392.179 2.126 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000373648466 532461795 /nfs/dbraw/zinc/46/17/95/532461795.db2.gz QDYLKNVJTJBKTR-XYPHTWIQSA-N 1 0 390.908 2.492 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)sc1Cl ZINC000373702703 532463756 /nfs/dbraw/zinc/46/37/56/532463756.db2.gz ZPMLZNXHFWJESX-AWEZNQCLSA-N 1 0 391.990 2.499 20 0 GEADRO CC(C)Oc1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000651306814 532463805 /nfs/dbraw/zinc/46/38/05/532463805.db2.gz LMIQWLAHZHRQBW-AWEZNQCLSA-N 1 0 384.318 2.212 20 0 GEADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1(C)C ZINC000282408116 532464117 /nfs/dbraw/zinc/46/41/17/532464117.db2.gz DXVTXECILILRMG-UHFFFAOYSA-N 1 0 380.341 2.298 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000468426603 532464173 /nfs/dbraw/zinc/46/41/73/532464173.db2.gz LWYYYCWCLRZTHT-UHFFFAOYSA-N 1 0 381.523 2.213 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000468425714 532464508 /nfs/dbraw/zinc/46/45/08/532464508.db2.gz HSXARJKXAPPEHH-ZIAGYGMSSA-N 1 0 387.571 2.319 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(S(C)(=O)=O)s1)C1CCCCC1 ZINC000468428035 532464556 /nfs/dbraw/zinc/46/45/56/532464556.db2.gz QHBVXSWEIVMVKS-HNNXBMFYSA-N 1 0 387.571 2.461 20 0 GEADRO CC(C)[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000428944136 532465559 /nfs/dbraw/zinc/46/55/59/532465559.db2.gz RRBIWGHJAROXKX-OAHLLOKOSA-N 1 0 387.933 2.225 20 0 GEADRO Cn1c(SCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)nnc1-c1cccs1 ZINC000519487895 532465726 /nfs/dbraw/zinc/46/57/26/532465726.db2.gz IPDXMQXXVHEPFB-GFCCVEGCSA-N 1 0 377.539 2.236 20 0 GEADRO O=C(CCOc1ccccc1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295646282 532466217 /nfs/dbraw/zinc/46/62/17/532466217.db2.gz BYFVFMGHOLLJSF-AWEZNQCLSA-N 1 0 385.302 2.181 20 0 GEADRO CC(C)[N@H+](C)CC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000373748860 532466456 /nfs/dbraw/zinc/46/64/56/532466456.db2.gz VHCOAMOBWSTKSH-UHFFFAOYSA-N 1 0 376.320 2.056 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000651332106 532466533 /nfs/dbraw/zinc/46/65/33/532466533.db2.gz OCBGCLJMRQFEQZ-UHFFFAOYSA-N 1 0 398.330 2.054 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC000683911204 532466764 /nfs/dbraw/zinc/46/67/64/532466764.db2.gz XWEYUUHUNKEFLN-KRWDZBQOSA-N 1 0 380.286 2.459 20 0 GEADRO COCCOC[C@@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000295644367 532466898 /nfs/dbraw/zinc/46/68/98/532466898.db2.gz CKIOQWCFHIKORL-HNNXBMFYSA-N 1 0 388.302 2.316 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000373741120 532466940 /nfs/dbraw/zinc/46/69/40/532466940.db2.gz KYEUCMCUCKHUNW-CQSZACIVSA-N 1 0 388.339 2.340 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)sc1Cl ZINC000373707813 532463160 /nfs/dbraw/zinc/46/31/60/532463160.db2.gz MDLOEBOXQISDDV-CYBMUJFWSA-N 1 0 377.963 2.110 20 0 GEADRO CC[C@H](CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000519537952 532468248 /nfs/dbraw/zinc/46/82/48/532468248.db2.gz ATONRWZZGZXKOJ-MCIONIFRSA-N 1 0 398.345 2.376 20 0 GEADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1c(Cl)cnn1C ZINC000373778056 532469215 /nfs/dbraw/zinc/46/92/15/532469215.db2.gz QQDYVILSGCUOJF-CZUORRHYSA-N 1 0 380.901 2.379 20 0 GEADRO C[C@@H]([NH3+])CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000429051312 532469562 /nfs/dbraw/zinc/46/95/62/532469562.db2.gz WXIGEIZEYNLZEZ-NOZJJQNGSA-N 1 0 387.267 2.052 20 0 GEADRO CO[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000195140249 532471699 /nfs/dbraw/zinc/47/16/99/532471699.db2.gz HXASRHNXAXGEJZ-ZDUSSCGKSA-N 1 0 382.448 2.434 20 0 GEADRO C[C@](CO)([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000562548831 532471759 /nfs/dbraw/zinc/47/17/59/532471759.db2.gz SNZCMUZJACFHNK-YESZJQIVSA-N 1 0 378.296 2.347 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000519654571 532471878 /nfs/dbraw/zinc/47/18/78/532471878.db2.gz QTFMSPIPAHEAGP-GFCCVEGCSA-N 1 0 390.285 2.373 20 0 GEADRO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)CS1 ZINC000373801877 532472044 /nfs/dbraw/zinc/47/20/44/532472044.db2.gz XEUABOUDHNRMJZ-NVXWUHKLSA-N 1 0 376.588 2.079 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC(CN2CCOCC2)CC1 ZINC000651521246 532472378 /nfs/dbraw/zinc/47/23/78/532472378.db2.gz GSDRKEXTCXNKBX-UHFFFAOYSA-N 1 0 376.881 2.212 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1ccc(Br)c2c1OCCC2 ZINC000683893195 532467448 /nfs/dbraw/zinc/46/74/48/532467448.db2.gz ZDSSSGJPNMTPJC-UHFFFAOYSA-N 1 0 376.254 2.433 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC000295667750 532467494 /nfs/dbraw/zinc/46/74/94/532467494.db2.gz JWFFBMOSYIHBIS-ZDUSSCGKSA-N 1 0 381.274 2.325 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000429427341 532476673 /nfs/dbraw/zinc/47/66/73/532476673.db2.gz GRCOMOFRIZIXJY-QWHCGFSZSA-N 1 0 378.332 2.013 20 0 GEADRO CCn1ccnc1CNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000295796529 532477698 /nfs/dbraw/zinc/47/76/98/532477698.db2.gz RLLJWAHTJSSGFU-UHFFFAOYSA-N 1 0 376.873 2.420 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000519764937 532478446 /nfs/dbraw/zinc/47/84/46/532478446.db2.gz FOWOKORMNBZIMY-NXEZZACHSA-N 1 0 381.420 2.034 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ncccc2Br)cc1 ZINC000684390069 532478903 /nfs/dbraw/zinc/47/89/03/532478903.db2.gz UEPIRGICPADIGP-UHFFFAOYSA-N 1 0 391.269 2.388 20 0 GEADRO C[C@H](NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000684380410 532479124 /nfs/dbraw/zinc/47/91/24/532479124.db2.gz MTBODTCGELZBMM-XHDPSFHLSA-N 1 0 397.317 2.005 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)C(F)F ZINC000563117344 532496831 /nfs/dbraw/zinc/49/68/31/532496831.db2.gz ZEQKFANGSKGDMW-KGLIPLIRSA-N 1 0 396.265 2.465 20 0 GEADRO CC(C)([NH3+])C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000236775421 532496769 /nfs/dbraw/zinc/49/67/69/532496769.db2.gz WPDRDXHAYFCETD-UHFFFAOYSA-N 1 0 388.249 2.398 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000429541241 532480658 /nfs/dbraw/zinc/48/06/58/532480658.db2.gz OKALWVIPZDLXEZ-WFASDCNBSA-N 1 0 384.318 2.399 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000373977744 532481191 /nfs/dbraw/zinc/48/11/91/532481191.db2.gz OJNHWRABLSZJAB-INIZCTEOSA-N 1 0 381.929 2.373 20 0 GEADRO O=C(NCc1ccc(Br)s1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000562770408 532481843 /nfs/dbraw/zinc/48/18/43/532481843.db2.gz WTJHBGYDPWFFJI-UHFFFAOYSA-N 1 0 397.302 2.032 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000468962423 532482637 /nfs/dbraw/zinc/48/26/37/532482637.db2.gz LVYKLGRWMPSHDD-INIZCTEOSA-N 1 0 383.323 2.032 20 0 GEADRO O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[NH+](CC2CC2)CC1 ZINC000468952638 532482938 /nfs/dbraw/zinc/48/29/38/532482938.db2.gz MNANIZIWXVECKD-OAHLLOKOSA-N 1 0 392.297 2.429 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(I)ccc1O ZINC000220417126 532483418 /nfs/dbraw/zinc/48/34/18/532483418.db2.gz NIGZBXVJDCLFPV-OLZOCXBDSA-N 1 0 386.233 2.353 20 0 GEADRO O=C(CCc1nc2cc(Br)ccc2s1)NCCN1CC[NH2+]CC1 ZINC000236766844 532496935 /nfs/dbraw/zinc/49/69/35/532496935.db2.gz IFLBDHOPPZOFLM-UHFFFAOYSA-N 1 0 397.342 2.013 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)C1 ZINC000282649868 532485131 /nfs/dbraw/zinc/48/51/31/532485131.db2.gz HYROAMCPYCHZMG-FUHWJXTLSA-N 1 0 386.945 2.303 20 0 GEADRO CC(C)(CNS(=O)(=O)c1cncc(Br)c1)[NH+]1CCCCC1 ZINC000520124451 532485732 /nfs/dbraw/zinc/48/57/32/532485732.db2.gz ARADDBXQBKGUAS-UHFFFAOYSA-N 1 0 376.320 2.387 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000520113482 532485939 /nfs/dbraw/zinc/48/59/39/532485939.db2.gz KXHKYRFHMIZYTG-NEPJUHHUSA-N 1 0 378.300 2.373 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc3ccc(Br)cn3n2)C1 ZINC000429955490 532486080 /nfs/dbraw/zinc/48/60/80/532486080.db2.gz PMRFYTJNKAICOZ-AWEZNQCLSA-N 1 0 380.290 3.045 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000562840711 532487015 /nfs/dbraw/zinc/48/70/15/532487015.db2.gz DOVIWOWESNJEEY-WBVHZDCISA-N 1 0 388.917 2.256 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000374083987 532488091 /nfs/dbraw/zinc/48/80/91/532488091.db2.gz NZDPYHHUVCLTBR-KOLCDFICSA-N 1 0 379.707 2.475 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000593563643 532488120 /nfs/dbraw/zinc/48/81/20/532488120.db2.gz QCSLGISWKZFSSV-AWEZNQCLSA-N 1 0 389.924 2.268 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000374084374 532489111 /nfs/dbraw/zinc/48/91/11/532489111.db2.gz PPPRECTVIUZOSJ-GUTXKFCHSA-N 1 0 388.917 2.126 20 0 GEADRO CCc1n[nH]c(C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)c1Br ZINC000469084802 532490288 /nfs/dbraw/zinc/49/02/88/532490288.db2.gz VREYTCLRKFKNRO-LBPRGKRZSA-N 1 0 387.322 2.308 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000562961096 532490514 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O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469201794 532495657 /nfs/dbraw/zinc/49/56/57/532495657.db2.gz OYISXRRBMILSFG-FZMZJTMJSA-N 1 0 378.270 2.228 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cccc(I)c1 ZINC000520582027 532495791 /nfs/dbraw/zinc/49/57/91/532495791.db2.gz JSIGAQRSBOXBTJ-GFCCVEGCSA-N 1 0 394.278 2.183 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000236758831 532497314 /nfs/dbraw/zinc/49/73/14/532497314.db2.gz BGXAEKVYNPVTAR-UHFFFAOYSA-N 1 0 376.320 2.216 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469201732 532495951 /nfs/dbraw/zinc/49/59/51/532495951.db2.gz OYISXRRBMILSFG-BXUZGUMPSA-N 1 0 378.270 2.228 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)s2)CCN1C1CC[NH+](C)CC1 ZINC000374267582 532496273 /nfs/dbraw/zinc/49/62/73/532496273.db2.gz CFHUUQZIDURCQQ-GFCCVEGCSA-N 1 0 377.963 2.191 20 0 GEADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000374310762 532497404 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GEADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000651551343 532475402 /nfs/dbraw/zinc/47/54/02/532475402.db2.gz XBWULDXIADXUIF-UHFFFAOYSA-N 1 0 381.885 2.396 20 0 GEADRO CN(C(=O)c1ncsc1C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684280303 532476184 /nfs/dbraw/zinc/47/61/84/532476184.db2.gz HWVZDDQVXAHHOC-LBPRGKRZSA-N 1 0 376.448 2.402 20 0 GEADRO CC[NH2+]CCNC(=O)c1cccc(Br)c1I ZINC000236974263 532502312 /nfs/dbraw/zinc/50/23/12/532502312.db2.gz JTHYQQYBFALLDH-UHFFFAOYSA-N 1 0 397.054 2.393 20 0 GEADRO CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000629803068 532502435 /nfs/dbraw/zinc/50/24/35/532502435.db2.gz QCCHLBNJHISFGQ-UHFFFAOYSA-N 1 0 384.318 2.241 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431014484 532503559 /nfs/dbraw/zinc/50/35/59/532503559.db2.gz JOBNGGWBUGDIAR-UHFFFAOYSA-N 1 0 389.315 2.222 20 0 GEADRO O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000431011451 532503575 /nfs/dbraw/zinc/50/35/75/532503575.db2.gz 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398.301 2.201 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000237242457 532505535 /nfs/dbraw/zinc/50/55/35/532505535.db2.gz VWPXRBODSAPVFP-XJKSGUPXSA-N 1 0 394.313 2.260 20 0 GEADRO C[N@H+](CC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)C1CCC1 ZINC000630004915 532505865 /nfs/dbraw/zinc/50/58/65/532505865.db2.gz MADOFKQFADHDQS-GFCCVEGCSA-N 1 0 387.293 2.340 20 0 GEADRO C[C@@H](NC(=O)NCc1ccc(C[NH3+])cc1F)c1ncc(Br)cn1 ZINC000652195456 532505792 /nfs/dbraw/zinc/50/57/92/532505792.db2.gz UXODJWSZTCXMMX-SECBINFHSA-N 1 0 382.237 2.397 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000521845299 532518935 /nfs/dbraw/zinc/51/89/35/532518935.db2.gz JTEKWFCRVQFGHV-INIZCTEOSA-N 1 0 381.929 2.072 20 0 GEADRO C[N@H+](CC(=O)Nc1cnc(N2CCOCC2)c(Br)c1)C1CCC1 ZINC000629989647 532506065 /nfs/dbraw/zinc/50/60/65/532506065.db2.gz VWBBBATVQZDDEB-UHFFFAOYSA-N 1 0 383.290 2.104 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NCCC2(C[NH3+])CC2)cc1Br ZINC000652233105 532506611 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20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)C1 ZINC000652375033 532508151 /nfs/dbraw/zinc/50/81/51/532508151.db2.gz HDKDREITFIOGFM-HSMVNMDESA-N 1 0 376.881 2.386 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(Br)c1F)C2 ZINC000652376019 532508414 /nfs/dbraw/zinc/50/84/14/532508414.db2.gz PMJOIVUDLYQYED-HZMBPMFUSA-N 1 0 377.279 2.338 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000469684864 532508454 /nfs/dbraw/zinc/50/84/54/532508454.db2.gz RPUXJIRJWSSMRQ-UHFFFAOYSA-N 1 0 386.283 2.615 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(Cl)c(F)c3)CC2)C1 ZINC000652372503 532508644 /nfs/dbraw/zinc/50/86/44/532508644.db2.gz PFERZBNGHHCKLG-LRDDRELGSA-N 1 0 376.881 2.386 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1cccc(I)c1 ZINC000469669423 532508791 /nfs/dbraw/zinc/50/87/91/532508791.db2.gz HNZQFXFIYGVUQO-TXEJJXNPSA-N 1 0 388.249 2.221 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000296266753 532508962 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C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296259854 532509998 /nfs/dbraw/zinc/50/99/98/532509998.db2.gz LUOJBZUCUGIZRR-KRWDZBQOSA-N 1 0 384.885 2.032 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cnc3ccsc3c2)C1 ZINC000652383633 532510229 /nfs/dbraw/zinc/51/02/29/532510229.db2.gz BOKNYXRWLADXEH-DAXOMENPSA-N 1 0 381.523 2.346 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(F)c(F)cc1I ZINC000237710893 532510828 /nfs/dbraw/zinc/51/08/28/532510828.db2.gz QTKRSUUQWNXSMJ-QMMMGPOBSA-N 1 0 380.176 2.441 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594483027 532510948 /nfs/dbraw/zinc/51/09/48/532510948.db2.gz HQDXJCKFIQUFCL-GJZGRUSLSA-N 1 0 386.901 2.422 20 0 GEADRO O=C(NC[C@@H]1CCCN(C(=O)c2nc(Cl)ccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000237713787 532511407 /nfs/dbraw/zinc/51/14/07/532511407.db2.gz XQPFYQWHJUSARN-AAEUAGOBSA-N 1 0 385.295 2.109 20 0 GEADRO C[C@H]1[C@H](NC(=O)COc2cccc(I)c2)CCC[N@@H+]1C ZINC000469762220 532511521 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COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1F ZINC000594532285 532513625 /nfs/dbraw/zinc/51/36/25/532513625.db2.gz LZODVGQOKJNZCB-MFKMUULPSA-N 1 0 392.880 2.404 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2([NH3+])CCCCC2)c1F ZINC000594531639 532513763 /nfs/dbraw/zinc/51/37/63/532513763.db2.gz UVUGMZNVEYRCDZ-UHFFFAOYSA-N 1 0 378.853 2.206 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1F ZINC000594532265 532513849 /nfs/dbraw/zinc/51/38/49/532513849.db2.gz LDNNNQMIIRNQBY-AXFHLTTASA-N 1 0 392.880 2.260 20 0 GEADRO [NH3+]C1(CC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CCC1 ZINC000237984704 532515511 /nfs/dbraw/zinc/51/55/11/532515511.db2.gz BQTMSHPJDRVSCL-GFCCVEGCSA-N 1 0 395.301 2.293 20 0 GEADRO CC1(C)C[C@H]([NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c2cc(Br)ccc21 ZINC000296355753 532516143 /nfs/dbraw/zinc/51/61/43/532516143.db2.gz INIYPDPAQXQMNA-HOCLYGCPSA-N 1 0 388.327 2.311 20 0 GEADRO COc1cc(Br)ccc1C[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000374769019 532517071 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Cc1cc(Br)ccc1NC(=O)CN(C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430592786 532501067 /nfs/dbraw/zinc/50/10/67/532501067.db2.gz HWFCMUZJMOSUSV-UHFFFAOYSA-N 1 0 396.289 2.405 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccc(I)cc1 ZINC000430624590 532501168 /nfs/dbraw/zinc/50/11/68/532501168.db2.gz JBECJEAESGEMAC-SMDDNHRTSA-N 1 0 387.265 2.431 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236920764 532501086 /nfs/dbraw/zinc/50/10/86/532501086.db2.gz IJZYKFLUGAVFKO-CHWSQXEVSA-N 1 0 382.302 2.436 20 0 GEADRO O=C1NCC[C@H]1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000563356572 532501038 /nfs/dbraw/zinc/50/10/38/532501038.db2.gz WILHQENANXJLBR-ZDUSSCGKSA-N 1 0 384.293 2.232 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430639556 532501461 /nfs/dbraw/zinc/50/14/61/532501461.db2.gz POBWVUNZAPUIJD-HNNXBMFYSA-N 1 0 398.345 2.218 20 0 GEADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000593896568 532501671 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CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629786068 532502144 /nfs/dbraw/zinc/50/21/44/532502144.db2.gz JRNSINNXUXQZNE-ONGXEEELSA-N 1 0 397.850 2.346 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)N2CCC=C(Br)C2)ccn1 ZINC000282853132 532502036 /nfs/dbraw/zinc/50/20/36/532502036.db2.gz WYYJALZWXLJHRX-UHFFFAOYSA-N 1 0 383.290 2.216 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000593907330 532502093 /nfs/dbraw/zinc/50/20/93/532502093.db2.gz MCUPEVQQBWZNHQ-ZDUSSCGKSA-N 1 0 379.869 2.441 20 0 GEADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Br)cc2)CCCO1 ZINC000432336999 532535226 /nfs/dbraw/zinc/53/52/26/532535226.db2.gz PXABVFKJUMYLBN-CYBMUJFWSA-N 1 0 391.331 2.228 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000246250662 532535517 /nfs/dbraw/zinc/53/55/17/532535517.db2.gz JIXDTCAXGQZKLO-BLLLJJGKSA-N 1 0 386.901 2.231 20 0 GEADRO CC(C)(CC[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000564859195 532535765 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2.198 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000470842668 532537180 /nfs/dbraw/zinc/53/71/80/532537180.db2.gz VLCOVICPSFLEER-HNNXBMFYSA-N 1 0 387.571 2.010 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3nnc4ccc(Br)cn43)C2)C1 ZINC000296749688 532539292 /nfs/dbraw/zinc/53/92/92/532539292.db2.gz IMDIMBYXMRXLHT-INIZCTEOSA-N 1 0 393.289 2.441 20 0 GEADRO COC[C@@]1(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCC[NH2+]1 ZINC000564948440 532539930 /nfs/dbraw/zinc/53/99/30/532539930.db2.gz FUYNGDRGSSLPGC-KRWDZBQOSA-N 1 0 394.269 2.201 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564970291 532540731 /nfs/dbraw/zinc/54/07/31/532540731.db2.gz JBEKIDMCARFSQX-AWEZNQCLSA-N 1 0 377.279 2.352 20 0 GEADRO COc1cccc([C@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)OC)c1 ZINC000631179801 532545674 /nfs/dbraw/zinc/54/56/74/532545674.db2.gz JZPMLWDUZQNZNX-INIZCTEOSA-N 1 0 384.885 2.473 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(F)cc1Br ZINC000564960195 532541547 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Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000653846763 532543138 /nfs/dbraw/zinc/54/31/38/532543138.db2.gz NQOYXZMVRCYIGK-QGZVFWFLSA-N 1 0 398.301 2.019 20 0 GEADRO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000653827306 532543257 /nfs/dbraw/zinc/54/32/57/532543257.db2.gz VNLNKQCPHFCJSR-NWDGAFQWSA-N 1 0 377.794 2.048 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)c2cccnc2-n2cc(Br)cn2)CC[N@@H+]1C ZINC000564288147 532519844 /nfs/dbraw/zinc/51/98/44/532519844.db2.gz YZGIFQQFKTZSOK-DGCLKSJQSA-N 1 0 378.274 2.242 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc(Br)cc2O)C1 ZINC000431667013 532520803 /nfs/dbraw/zinc/52/08/03/532520803.db2.gz MJJTUENUJFNGTD-OAHLLOKOSA-N 1 0 385.302 2.170 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000245556990 532521546 /nfs/dbraw/zinc/52/15/46/532521546.db2.gz SGQLASYUGGWKNL-GOEBONIOSA-N 1 0 375.270 2.239 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1COCCO1 ZINC000470101121 532521522 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CCC[NH+]1CCC(CNS(=O)(=O)Cc2ncsc2Br)CC1 ZINC000631857443 532565478 /nfs/dbraw/zinc/56/54/78/532565478.db2.gz IIKPLHJKZNTKLB-UHFFFAOYSA-N 1 0 396.376 2.447 20 0 GEADRO [NH3+]C1CCC(OCC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000565477100 532565539 /nfs/dbraw/zinc/56/55/39/532565539.db2.gz ATFBNEHXJWTZRJ-UHFFFAOYSA-N 1 0 399.285 2.123 20 0 GEADRO OCC[NH2+]C1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000631864504 532565656 /nfs/dbraw/zinc/56/56/56/532565656.db2.gz PSZYYRJVBPFUMZ-UHFFFAOYSA-N 1 0 387.303 2.107 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000595664693 532570146 /nfs/dbraw/zinc/57/01/46/532570146.db2.gz SHMUKVGCKDMGNI-CMPLNLGQSA-N 1 0 380.185 2.471 20 0 GEADRO OCC[NH2+]C1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000631863297 532566003 /nfs/dbraw/zinc/56/60/03/532566003.db2.gz UAHHXPJYNZEZFT-UHFFFAOYSA-N 1 0 385.302 2.157 20 0 GEADRO CC(C)[NH+](CCNC(=O)C(=O)NCc1sccc1Br)C(C)C ZINC000283922999 532566721 /nfs/dbraw/zinc/56/67/21/532566721.db2.gz INFSIKSYZGHYDQ-UHFFFAOYSA-N 1 0 390.347 2.362 20 0 GEADRO Cc1ccsc1[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631920747 532566764 /nfs/dbraw/zinc/56/67/64/532566764.db2.gz FUIBSXNNZVUOPD-IAGOWNOFSA-N 1 0 380.535 2.248 20 0 GEADRO CSC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000249480310 532567003 /nfs/dbraw/zinc/56/70/03/532567003.db2.gz VHCIHBDTQKZSCB-DGCLKSJQSA-N 1 0 388.331 2.219 20 0 GEADRO CCC[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000631918339 532567060 /nfs/dbraw/zinc/56/70/60/532567060.db2.gz ZPNFNPGQWFLMHL-HUUCEWRRSA-N 1 0 380.432 2.454 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](OC)c2ccccc2Br)C1 ZINC000654749376 532567696 /nfs/dbraw/zinc/56/76/96/532567696.db2.gz OSGUPOHUSFNYKE-CJNGLKHVSA-N 1 0 385.302 2.364 20 0 GEADRO Cc1nccn1CC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000297120860 532567759 /nfs/dbraw/zinc/56/77/59/532567759.db2.gz PEBMZGOVXAYOTP-UHFFFAOYSA-N 1 0 389.257 2.193 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)s1 ZINC000472240901 532568264 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C[C@H](O)CN1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000375278396 532545924 /nfs/dbraw/zinc/54/59/24/532545924.db2.gz GBGPYGZXMDIRAJ-AWEZNQCLSA-N 1 0 385.961 2.139 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 ZINC000247325932 532546518 /nfs/dbraw/zinc/54/65/18/532546518.db2.gz UDJMAEYWNGALTN-BNOWGMLFSA-N 1 0 384.307 2.410 20 0 GEADRO CN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1CCC[N@H+](C)C1 ZINC000247318157 532546844 /nfs/dbraw/zinc/54/68/44/532546844.db2.gz HWBATWIYPMPDAN-KBPBESRZSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C[C@H](C)[NH2+]1 ZINC000247450430 532547425 /nfs/dbraw/zinc/54/74/25/532547425.db2.gz ZEZCAIGECIKFTB-FRRDWIJNSA-N 1 0 380.286 2.011 20 0 GEADRO COc1cccc([C@@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)OC)c1 ZINC000631179803 532547958 /nfs/dbraw/zinc/54/79/58/532547958.db2.gz JZPMLWDUZQNZNX-MRXNPFEDSA-N 1 0 384.885 2.473 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c(Br)c1 ZINC000375318105 532549537 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CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000297339799 532583381 /nfs/dbraw/zinc/58/33/81/532583381.db2.gz OHBFZNGNNVQGOI-LLVKDONJSA-N 1 0 381.278 2.297 20 0 GEADRO O=C(N1CCc2ccc(Br)cc21)C1(n2cccn2)CC[NH2+]CC1 ZINC000262057315 532583423 /nfs/dbraw/zinc/58/34/23/532583423.db2.gz AOAAMFXXQFJNPL-UHFFFAOYSA-N 1 0 375.270 2.314 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297334866 532583471 /nfs/dbraw/zinc/58/34/71/532583471.db2.gz NNJCUYYYYXMZAU-UHFFFAOYSA-N 1 0 381.278 2.441 20 0 GEADRO O=C(CSc1cccc(Br)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262048854 532583516 /nfs/dbraw/zinc/58/35/16/532583516.db2.gz MILWJSUGYLQCJO-CQSZACIVSA-N 1 0 384.343 2.047 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)[C@@H]1SC ZINC000297351788 532583926 /nfs/dbraw/zinc/58/39/26/532583926.db2.gz FFLVUPCYEUGERH-OIISXLGYSA-N 1 0 388.530 2.364 20 0 GEADRO C[C@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)C[NH+]1CCCC1 ZINC000297359563 532584032 /nfs/dbraw/zinc/58/40/32/532584032.db2.gz RGFMWRGEKUILPX-LLVKDONJSA-N 1 0 381.278 2.345 20 0 GEADRO COCC1(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000262059042 532584422 /nfs/dbraw/zinc/58/44/22/532584422.db2.gz QXYQVMVRXAWLCG-UHFFFAOYSA-N 1 0 380.432 2.141 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000284314440 532585210 /nfs/dbraw/zinc/58/52/10/532585210.db2.gz VAKMQDOAPDLRLL-CQSZACIVSA-N 1 0 383.945 2.349 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000262132126 532585634 /nfs/dbraw/zinc/58/56/34/532585634.db2.gz MVLIXPNMVAGBJK-BXUZGUMPSA-N 1 0 390.347 2.406 20 0 GEADRO C[C@H](NC(=O)Nc1nc2cc(Br)ccn2n1)C1=CC[N@H+](C)CC1 ZINC000297370468 532585953 /nfs/dbraw/zinc/58/59/53/532585953.db2.gz UAJPTVASRYMLFS-JTQLQIEISA-N 1 0 379.262 2.264 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3C[C@@H](C[NH3+])C[C@H]3C)ccc2s1 ZINC000262137396 532585921 /nfs/dbraw/zinc/58/59/21/532585921.db2.gz XKSTYGSVEWGIAP-VXGBXAGGSA-N 1 0 382.507 2.436 20 0 GEADRO C[C@@H]1CN(C(=O)NCCc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000434468905 532595613 /nfs/dbraw/zinc/59/56/13/532595613.db2.gz GJHIMYBRBWZMLQ-CQSZACIVSA-N 1 0 398.345 2.478 20 0 GEADRO O=C(c1c(Cl)cc(F)cc1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294407 532586402 /nfs/dbraw/zinc/58/64/02/532586402.db2.gz YDEBAJNMJFYJPJ-VHSXEESVSA-N 1 0 377.641 2.133 20 0 GEADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CC[NH+](CC2CC2)CC1 ZINC000297393578 532586856 /nfs/dbraw/zinc/58/68/56/532586856.db2.gz YBYREHQACYVFOY-UHFFFAOYSA-N 1 0 379.262 2.051 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3nc4cc(Br)ccn4n3)C2)C1 ZINC000297389353 532587442 /nfs/dbraw/zinc/58/74/42/532587442.db2.gz XJLZWBZXVLRIFG-INIZCTEOSA-N 1 0 393.289 2.441 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000375910977 532587700 /nfs/dbraw/zinc/58/77/00/532587700.db2.gz CGEDLTQAMASYMR-CJNGLKHVSA-N 1 0 394.313 2.264 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000596122948 532587789 /nfs/dbraw/zinc/58/77/89/532587789.db2.gz WCXPVKKDQHCLAP-CYBMUJFWSA-N 1 0 375.210 2.173 20 0 GEADRO COc1cc(Br)c(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1OC ZINC000655432816 532588056 /nfs/dbraw/zinc/58/80/56/532588056.db2.gz LAIOUYAMVAAPNL-SJCJKPOMSA-N 1 0 383.286 2.472 20 0 GEADRO CS(=O)(=O)C1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000262205498 532588896 /nfs/dbraw/zinc/58/88/96/532588896.db2.gz NNVKDDIRRQAMKX-UHFFFAOYSA-N 1 0 384.807 2.464 20 0 GEADRO CCc1cnc(CN(C)C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)s1 ZINC000284343779 532588910 /nfs/dbraw/zinc/58/89/10/532588910.db2.gz KJUGMIXHDNUKFO-CYBMUJFWSA-N 1 0 380.539 2.145 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000262189053 532589409 /nfs/dbraw/zinc/58/94/09/532589409.db2.gz ZMWNTOAYXKDAHU-MAUKXSAKSA-N 1 0 394.313 2.251 20 0 GEADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262344647 532590034 /nfs/dbraw/zinc/59/00/34/532590034.db2.gz TVUAXMGRQJFVAF-YESZJQIVSA-N 1 0 378.314 2.059 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@@](C)(C[NH3+])C3)ccc2s1 ZINC000262370649 532590644 /nfs/dbraw/zinc/59/06/44/532590644.db2.gz WQPUYWUMRVGYDF-KRWDZBQOSA-N 1 0 382.507 2.437 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)NCCOc1ccc(Br)cc1 ZINC000297464321 532590987 /nfs/dbraw/zinc/59/09/87/532590987.db2.gz RCGFFBULIPFJPZ-UHFFFAOYSA-N 1 0 396.289 2.408 20 0 GEADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000566072695 532591579 /nfs/dbraw/zinc/59/15/79/532591579.db2.gz DRLBYRSLGSCQDU-PWSUYJOCSA-N 1 0 379.295 2.143 20 0 GEADRO C[C@H]([NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)C(=O)NC(N)=O ZINC000473441707 532591584 /nfs/dbraw/zinc/59/15/84/532591584.db2.gz GRTBWAIWLDRIHN-XHDPSFHLSA-N 1 0 391.269 2.301 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)c2cccc(I)c2)CC1 ZINC000566076185 532591766 /nfs/dbraw/zinc/59/17/66/532591766.db2.gz SELMKTWKVZGUFZ-UHFFFAOYSA-N 1 0 388.249 2.132 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc(I)cn1 ZINC000596364159 532591931 /nfs/dbraw/zinc/59/19/31/532591931.db2.gz 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C[NH+](C)CCn1nccc1NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000297511086 532593270 /nfs/dbraw/zinc/59/32/70/532593270.db2.gz UTRQKBGJFLAUBB-AWEZNQCLSA-N 1 0 396.289 2.062 20 0 GEADRO COCC1(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000262409121 532593491 /nfs/dbraw/zinc/59/34/91/532593491.db2.gz SFTGGZYNCNHDCM-MRXNPFEDSA-N 1 0 397.313 2.365 20 0 GEADRO COc1ccc(-c2nc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cs2)cc1OC ZINC000655512347 532593763 /nfs/dbraw/zinc/59/37/63/532593763.db2.gz DWERJQVZDITXTA-LBPRGKRZSA-N 1 0 375.372 2.447 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)C(F)(F)F ZINC000655508693 532593860 /nfs/dbraw/zinc/59/38/60/532593860.db2.gz NIWIXBKTIUDUTA-GFCCVEGCSA-N 1 0 398.834 2.432 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(F)(F)F ZINC000655509324 532593939 /nfs/dbraw/zinc/59/39/39/532593939.db2.gz HFDUUQQROORUPG-RDDDGLTNSA-N 1 0 384.185 2.352 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1OC[C@@H]1CCCCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631970660 532571392 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CC[C@H]1CN(CC(=O)Nc2ccccc2I)CC[C@H]1[NH3+] ZINC000251555254 532572413 /nfs/dbraw/zinc/57/24/13/532572413.db2.gz BHCJIXVTPHXHGA-WCQYABFASA-N 1 0 387.265 2.289 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654888183 532572745 /nfs/dbraw/zinc/57/27/45/532572745.db2.gz ADCAHOBOBNRGTK-BJHJDKERSA-N 1 0 398.301 2.161 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c(OC)n1 ZINC000566129769 532595233 /nfs/dbraw/zinc/59/52/33/532595233.db2.gz ICFSFDRBQZQYQS-CQSZACIVSA-N 1 0 397.269 2.391 20 0 GEADRO O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1ccccc1I ZINC000595779494 532573549 /nfs/dbraw/zinc/57/35/49/532573549.db2.gz FQTBEBDZHCRLHI-CHWSQXEVSA-N 1 0 386.233 2.123 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000472426309 532574069 /nfs/dbraw/zinc/57/40/69/532574069.db2.gz AVOLYNFCHODUFT-UHFFFAOYSA-N 1 0 395.301 2.291 20 0 GEADRO C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 ZINC000297225958 532574773 /nfs/dbraw/zinc/57/47/73/532574773.db2.gz 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[NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cc(Br)cc4c3OCC4)C[C@H]12 ZINC000566551405 532616390 /nfs/dbraw/zinc/61/63/90/532616390.db2.gz ZJXATXPMQCCMID-TUKIKUTGSA-N 1 0 380.286 2.263 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000530157013 532618185 /nfs/dbraw/zinc/61/81/85/532618185.db2.gz OVHPQVJRLVLSTG-UHFFFAOYSA-N 1 0 382.404 2.309 20 0 GEADRO C[S@](=O)C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1 ZINC000566570041 532618172 /nfs/dbraw/zinc/61/81/72/532618172.db2.gz JWSHINYGRSTSFL-GAKIBJFNSA-N 1 0 380.579 2.440 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000530157868 532618715 /nfs/dbraw/zinc/61/87/15/532618715.db2.gz XUQZUQIIIIZMJA-QWRGUYRKSA-N 1 0 382.404 2.355 20 0 GEADRO COCC[NH2+]Cc1ccn(Cc2cn(-c3ccc(Br)cc3)nn2)n1 ZINC000656432006 532619341 /nfs/dbraw/zinc/61/93/41/532619341.db2.gz VFYATWWEFHWNRP-UHFFFAOYSA-N 1 0 391.273 2.011 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@@H](n2cccn2)C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000597511760 532619312 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20 0 GEADRO COc1ccc2nc(C[NH2+][C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)sc2c1 ZINC000530439539 532621654 /nfs/dbraw/zinc/62/16/54/532621654.db2.gz VBACEBYYPLMLIJ-SJKOYZFVSA-N 1 0 382.507 2.131 20 0 GEADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000376242897 532603899 /nfs/dbraw/zinc/60/38/99/532603899.db2.gz WVZGCWRLANUVEA-XIKOKIGWSA-N 1 0 382.291 2.277 20 0 GEADRO Cn1ccc([C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c2ccc(Cl)cc2)n1 ZINC000655925235 532604220 /nfs/dbraw/zinc/60/42/20/532604220.db2.gz ZBRNYYPZQJQGOQ-CHWSQXEVSA-N 1 0 375.782 2.352 20 0 GEADRO CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H](CO)c1cccc(Br)c1 ZINC000655923181 532604353 /nfs/dbraw/zinc/60/43/53/532604353.db2.gz VQVHJXSIXJKADN-QWRGUYRKSA-N 1 0 384.196 2.014 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000262828239 532604320 /nfs/dbraw/zinc/60/43/20/532604320.db2.gz YYVVEGKTTZPIGK-GHMZBOCLSA-N 1 0 377.304 2.267 20 0 GEADRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)c(O)c(OCC)c2)C1 ZINC000297709666 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CNc1cc(I)ccc1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000597701216 532625080 /nfs/dbraw/zinc/62/50/80/532625080.db2.gz QXMOJUMVBYQZPB-YGRLFVJLSA-N 1 0 387.265 2.498 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474711371 532625613 /nfs/dbraw/zinc/62/56/13/532625613.db2.gz HUJQEQMIYHAEAS-APIJFGDWSA-N 1 0 386.945 2.361 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1Br ZINC000376716596 532625597 /nfs/dbraw/zinc/62/55/97/532625597.db2.gz GXYQIMANFIDSNI-FZMZJTMJSA-N 1 0 395.301 2.367 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000632560735 532626012 /nfs/dbraw/zinc/62/60/12/532626012.db2.gz YNQYWBMIHFQCMA-LLVKDONJSA-N 1 0 380.436 2.124 20 0 GEADRO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000474724034 532626510 /nfs/dbraw/zinc/62/65/10/532626510.db2.gz VDVYXGHATXPXLY-GDBMZVCRSA-N 1 0 388.555 2.064 20 0 GEADRO CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000566850721 532627765 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/nfs/dbraw/zinc/63/36/43/532633643.db2.gz MNVYWJUZDVSFSG-CYBMUJFWSA-N 1 0 376.906 2.128 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)F ZINC000566972897 532633743 /nfs/dbraw/zinc/63/37/43/532633743.db2.gz DRNXNTHYIJCSSU-BXKDBHETSA-N 1 0 380.222 2.445 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000531282672 532633842 /nfs/dbraw/zinc/63/38/42/532633842.db2.gz AJUITGQSUUDCOL-CYBMUJFWSA-N 1 0 388.331 2.197 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000263690158 532634281 /nfs/dbraw/zinc/63/42/81/532634281.db2.gz GHZQJSMEZJLRRA-CQSZACIVSA-N 1 0 397.317 2.480 20 0 GEADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ncccc2Br)CC1 ZINC000656870159 532634734 /nfs/dbraw/zinc/63/47/34/532634734.db2.gz MCASEDUTALDDOD-UHFFFAOYSA-N 1 0 376.320 2.337 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000531604098 532634867 /nfs/dbraw/zinc/63/48/67/532634867.db2.gz DNEIRCBJMLBSHJ-CVEARBPZSA-N 1 0 396.329 2.403 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000436488810 532634942 /nfs/dbraw/zinc/63/49/42/532634942.db2.gz DYOSHNLTZFAEKT-UHFFFAOYSA-N 1 0 376.408 2.284 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000531604100 532635072 /nfs/dbraw/zinc/63/50/72/532635072.db2.gz DNEIRCBJMLBSHJ-HZPDHXFCSA-N 1 0 396.329 2.403 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cccc2c(Br)ccnc12 ZINC000567019163 532635867 /nfs/dbraw/zinc/63/58/67/532635867.db2.gz JQLFEFNCLRBBGD-LBPRGKRZSA-N 1 0 392.301 2.365 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656875561 532636248 /nfs/dbraw/zinc/63/62/48/532636248.db2.gz RETMFRRLYRFKGC-UHFFFAOYSA-N 1 0 379.295 2.492 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000377028643 532636664 /nfs/dbraw/zinc/63/66/64/532636664.db2.gz HIJCMORFEONIOF-UHFFFAOYSA-N 1 0 384.322 2.352 20 0 GEADRO O=S(=O)(c1ncccc1Br)N1CCC([NH+]2CCCCC2)CC1 ZINC000656879657 532637793 /nfs/dbraw/zinc/63/77/93/532637793.db2.gz SIFFIZILAFZUMB-UHFFFAOYSA-N 1 0 388.331 2.483 20 0 GEADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cccc(Br)n1)C(C)C ZINC000284990321 532637839 /nfs/dbraw/zinc/63/78/39/532637839.db2.gz BPULJNUWMMILGL-UHFFFAOYSA-N 1 0 385.306 2.408 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ncccc1Br)C[NH+]1CCCCC1 ZINC000656880990 532638396 /nfs/dbraw/zinc/63/83/96/532638396.db2.gz QWYHNYAKJRUWBU-GFCCVEGCSA-N 1 0 376.320 2.244 20 0 GEADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000531851504 532638967 /nfs/dbraw/zinc/63/89/67/532638967.db2.gz ICFUPZDXQVSATO-GFCCVEGCSA-N 1 0 385.917 2.309 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000475187482 532639558 /nfs/dbraw/zinc/63/95/58/532639558.db2.gz YNFOUPLYAZYTBA-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000567096914 532639735 /nfs/dbraw/zinc/63/97/35/532639735.db2.gz BQWWATBSDOHZOW-UHFFFAOYSA-N 1 0 395.305 2.422 20 0 GEADRO O=C1CCC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)N1 ZINC000475208556 532640941 /nfs/dbraw/zinc/64/09/41/532640941.db2.gz BDIODUCKAGNKIC-MRVPVSSYSA-N 1 0 380.176 2.328 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])c3cc(OC)ccc32)s1 ZINC000377083536 532640993 /nfs/dbraw/zinc/64/09/93/532640993.db2.gz NZPFUWDSGTYLIA-GFCCVEGCSA-N 1 0 382.463 2.142 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000263773841 532641059 /nfs/dbraw/zinc/64/10/59/532641059.db2.gz OALMXCSWXWOTFU-GJZGRUSLSA-N 1 0 380.286 2.439 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc(F)c1Br ZINC000298311448 532641096 /nfs/dbraw/zinc/64/10/96/532641096.db2.gz YPFYUXUQUFSFTD-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO COc1cc(CN2CCN(C)C[C@@H]2C[NH3+])cc(Br)c1OC(F)F ZINC000567110720 532641168 /nfs/dbraw/zinc/64/11/68/532641168.db2.gz ULOJLECSIPSFGL-NSHDSACASA-N 1 0 394.260 2.134 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000263793239 532641797 /nfs/dbraw/zinc/64/17/97/532641797.db2.gz SWJCHXXHMJNEMF-AWEZNQCLSA-N 1 0 386.290 2.150 20 0 GEADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000567111157 532641922 /nfs/dbraw/zinc/64/19/22/532641922.db2.gz LLUZQNPUAHHQNN-NSHDSACASA-N 1 0 375.441 2.019 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000263794656 532642233 /nfs/dbraw/zinc/64/22/33/532642233.db2.gz RLLWBLPVGUOSDX-UHFFFAOYSA-N 1 0 395.301 2.251 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567166555 532643277 /nfs/dbraw/zinc/64/32/77/532643277.db2.gz DOBGYSJUVVPVGE-ZYHUDNBSSA-N 1 0 377.304 2.254 20 0 GEADRO C[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000377120039 532644080 /nfs/dbraw/zinc/64/40/80/532644080.db2.gz LWFUQEXDAISGSU-CIISACIHSA-N 1 0 393.336 2.165 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC)CC(C)C ZINC000476423873 532644437 /nfs/dbraw/zinc/64/44/37/532644437.db2.gz MTKRMXRREKBVPM-ULQDDVLXSA-N 1 0 376.563 2.394 20 0 GEADRO COC1CCN(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000656920368 532646625 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CS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)ccc1Cl ZINC000377585617 532662205 /nfs/dbraw/zinc/66/22/05/532662205.db2.gz VDVVOOFPXHBTFG-VIFPVBQESA-N 1 0 385.898 2.268 20 0 GEADRO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000599573834 532665643 /nfs/dbraw/zinc/66/56/43/532665643.db2.gz ZOAZOLASTKUVKZ-ZDUSSCGKSA-N 1 0 384.274 2.440 20 0 GEADRO Cc1sc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1CS(C)(=O)=O ZINC000533699171 532666437 /nfs/dbraw/zinc/66/64/37/532666437.db2.gz WBBIGGUENFYWSY-HNNXBMFYSA-N 1 0 384.567 2.405 20 0 GEADRO CC(=O)N[C@@H](C)C1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000481154491 532666545 /nfs/dbraw/zinc/66/65/45/532666545.db2.gz LYMOCXXLLQFGFE-GUYCJALGSA-N 1 0 399.329 2.425 20 0 GEADRO CN(C(=O)CSCC(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CCCCC1 ZINC000481170815 532666778 /nfs/dbraw/zinc/66/67/78/532666778.db2.gz KPHPVFKRPSKJBQ-SFHVURJKSA-N 1 0 387.615 2.064 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c(Br)cc1O ZINC000377715966 532666988 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20 0 GEADRO CN(C)c1nc(N)nc(C[NH2+]C(C)(C)Cc2ccc(Br)cc2)n1 ZINC000298411996 532647392 /nfs/dbraw/zinc/64/73/92/532647392.db2.gz HWUUTSSVCGDFAA-UHFFFAOYSA-N 1 0 379.306 2.393 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632877245 532647665 /nfs/dbraw/zinc/64/76/65/532647665.db2.gz MYARAFUVOUVNDS-SWLSCSKDSA-N 1 0 395.297 2.363 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000567270500 532647718 /nfs/dbraw/zinc/64/77/18/532647718.db2.gz BPNMUCMWYDRUOR-NOZJJQNGSA-N 1 0 386.208 2.122 20 0 GEADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000656923693 532647898 /nfs/dbraw/zinc/64/78/98/532647898.db2.gz GMIYSUOCNZWYHG-CQSZACIVSA-N 1 0 386.480 2.482 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000263930430 532649437 /nfs/dbraw/zinc/64/94/37/532649437.db2.gz UPXDJPHFCQZJNA-GHMZBOCLSA-N 1 0 388.331 2.182 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000477342405 532650020 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O=C(NCCn1cc(Br)cn1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000285151031 532651468 /nfs/dbraw/zinc/65/14/68/532651468.db2.gz RVQYFNZBZPJHRP-AWEZNQCLSA-N 1 0 396.289 2.375 20 0 GEADRO O=C(Nc1ccc(Br)c(C2CC2)n1)N1CCC([NH2+]CCO)CC1 ZINC000632950662 532651950 /nfs/dbraw/zinc/65/19/50/532651950.db2.gz ZBTTUWXJBYKYIJ-UHFFFAOYSA-N 1 0 383.290 2.300 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000567374814 532652395 /nfs/dbraw/zinc/65/23/95/532652395.db2.gz AISAMZVFDBNKSS-CYBMUJFWSA-N 1 0 378.274 2.196 20 0 GEADRO CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000567455413 532653294 /nfs/dbraw/zinc/65/32/94/532653294.db2.gz MHQHLXWFXBFJPI-HIFRSBDPSA-N 1 0 398.301 2.293 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@H]1OCCc2sccc21 ZINC000298482171 532653811 /nfs/dbraw/zinc/65/38/11/532653811.db2.gz SZGRDVWUKITGKJ-BLLLJJGKSA-N 1 0 389.539 2.097 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000632998707 532654016 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CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000378460806 532695148 /nfs/dbraw/zinc/69/51/48/532695148.db2.gz KCDAOXGVTRXNON-MLGOLLRUSA-N 1 0 375.922 2.023 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000378448784 532695550 /nfs/dbraw/zinc/69/55/50/532695550.db2.gz DUUVCZUKNOIHOL-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000378458823 532695607 /nfs/dbraw/zinc/69/56/07/532695607.db2.gz YKQYNWQLEKPDRW-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000285663162 532695898 /nfs/dbraw/zinc/69/58/98/532695898.db2.gz HVGBIMJZIRECIY-LRDDRELGSA-N 1 0 382.302 2.380 20 0 GEADRO COc1cc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc(Br)c1O ZINC000536637907 532696319 /nfs/dbraw/zinc/69/63/19/532696319.db2.gz NBYWQEIPCYSQBB-UHFFFAOYSA-N 1 0 392.315 2.468 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299134002 532696732 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COC(=O)c1nscc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000492287610 532712583 /nfs/dbraw/zinc/71/25/83/532712583.db2.gz AKNLDHKQIXXUKG-UHFFFAOYSA-N 1 0 389.543 2.205 20 0 GEADRO C[C@H](CNS(=O)(=O)c1c(Cl)ccc2ccccc21)N1CC[NH+](C)CC1 ZINC000440401684 532712817 /nfs/dbraw/zinc/71/28/17/532712817.db2.gz WVNLZJQCEBTYBB-CQSZACIVSA-N 1 0 381.929 2.407 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000408241081 532713323 /nfs/dbraw/zinc/71/33/23/532713323.db2.gz HPDNBTAYTSLRCV-LLVKDONJSA-N 1 0 398.248 2.334 20 0 GEADRO C[C@H](C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)CS(C)(=O)=O ZINC000494219799 532713684 /nfs/dbraw/zinc/71/36/84/532713684.db2.gz LYTKBNNENCOCHW-FUEDEBDSSA-N 1 0 376.881 2.021 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000408255460 532714283 /nfs/dbraw/zinc/71/42/83/532714283.db2.gz IRVGRXNALCYXIH-ZDUSSCGKSA-N 1 0 386.283 2.159 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000299408270 532714913 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CCC[NH+]1CCC(N(C)C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000497356312 532721812 /nfs/dbraw/zinc/72/18/12/532721812.db2.gz VSJBJAUKACJMPZ-UHFFFAOYSA-N 1 0 384.318 2.334 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCC2([NH3+])CCCCC2)c1 ZINC000440729893 532722602 /nfs/dbraw/zinc/72/26/02/532722602.db2.gz HGHYBYYXWPVUNF-UHFFFAOYSA-N 1 0 377.304 2.398 20 0 GEADRO O=C(NCCOc1ccc2cc(Br)ccc2c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000576134136 532722720 /nfs/dbraw/zinc/72/27/20/532722720.db2.gz MZNZTNFJWVWRGJ-FVQHAEBGSA-N 1 0 390.281 2.498 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)C1 ZINC000576118326 532723147 /nfs/dbraw/zinc/72/31/47/532723147.db2.gz GDKYJONNUMNWTA-CQSZACIVSA-N 1 0 387.933 2.250 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cn4cc(Br)ccc4n3)[C@H]2C1 ZINC000497388898 532723417 /nfs/dbraw/zinc/72/34/17/532723417.db2.gz OCXHLHPJTRWXLO-WFASDCNBSA-N 1 0 392.301 2.332 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)[C@H](C[NH3+])C1 ZINC000440856565 532723610 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20 0 GEADRO COc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c(I)c1 ZINC000286009785 532724506 /nfs/dbraw/zinc/72/45/06/532724506.db2.gz JEYUHKAUCCGLFR-ISTVAULSSA-N 1 0 388.249 2.416 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000646478646 532724921 /nfs/dbraw/zinc/72/49/21/532724921.db2.gz GTWOCKBURRKWMO-VNHYZAJKSA-N 1 0 394.313 2.353 20 0 GEADRO COc1cc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc(OC)c1OCC(F)F ZINC000576193901 532725859 /nfs/dbraw/zinc/72/58/59/532725859.db2.gz JSWLUXDPDLKRLK-UHFFFAOYSA-N 1 0 381.441 2.261 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000576196510 532726579 /nfs/dbraw/zinc/72/65/79/532726579.db2.gz WXDDSWATVQYYRZ-UHFFFAOYSA-N 1 0 384.933 2.378 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C)C[NH+](C)C ZINC000672516907 532726699 /nfs/dbraw/zinc/72/66/99/532726699.db2.gz GFUXKGWEHCJFTB-WFASDCNBSA-N 1 0 384.318 2.270 20 0 GEADRO C[NH+]1CCC(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000266831621 532727101 /nfs/dbraw/zinc/72/71/01/532727101.db2.gz MYXRMXRWIUPEFX-UHFFFAOYSA-N 1 0 375.782 2.360 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000672700010 532728208 /nfs/dbraw/zinc/72/82/08/532728208.db2.gz VFSKSJSZKWIKJJ-OAHLLOKOSA-N 1 0 396.329 2.398 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000266924192 532729561 /nfs/dbraw/zinc/72/95/61/532729561.db2.gz ZBIOHCWLQMUBDB-OLZOCXBDSA-N 1 0 396.285 2.091 20 0 GEADRO CCOC(=O)C1(O)CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000266909798 532729945 /nfs/dbraw/zinc/72/99/45/532729945.db2.gz IRVLRPPFQCUMFO-UHFFFAOYSA-N 1 0 399.285 2.168 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000539436141 532730392 /nfs/dbraw/zinc/73/03/92/532730392.db2.gz MROVPAQPEOTAKM-LLVKDONJSA-N 1 0 375.441 2.491 20 0 GEADRO CCCN(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000539460287 532730911 /nfs/dbraw/zinc/73/09/11/532730911.db2.gz VWWYDVJVTOJWTN-DLBZAZTESA-N 1 0 375.579 2.352 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000577078786 532731594 /nfs/dbraw/zinc/73/15/94/532731594.db2.gz BDHLNOUFOVKTKS-LLVKDONJSA-N 1 0 391.269 2.133 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000299477948 532719461 /nfs/dbraw/zinc/71/94/61/532719461.db2.gz YQZYSTPVZYEFAE-CYBMUJFWSA-N 1 0 380.432 2.345 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H]1C ZINC000408436817 532719640 /nfs/dbraw/zinc/71/96/40/532719640.db2.gz JUUKPUKCDOPGGP-DGCLKSJQSA-N 1 0 385.306 2.484 20 0 GEADRO O=S1(=O)CC[C@H](CC[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)C1 ZINC000646017153 532719823 /nfs/dbraw/zinc/71/98/23/532719823.db2.gz FTOJWBHIPFCBPM-WFASDCNBSA-N 1 0 381.416 2.423 20 0 GEADRO O=C(NCc1ccccc1Br)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670851730 532719813 /nfs/dbraw/zinc/71/98/13/532719813.db2.gz ZJRLHHYWNQZTNA-OAHLLOKOSA-N 1 0 394.313 2.152 20 0 GEADRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1ccccc1I ZINC000286346757 532742004 /nfs/dbraw/zinc/74/20/04/532742004.db2.gz XPJQFKUDACKOLP-DGCLKSJQSA-N 1 0 388.249 2.370 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CCN(C[C@H]2CCCO2)CC1 ZINC000676358288 532742231 /nfs/dbraw/zinc/74/22/31/532742231.db2.gz MFZKIWRBTIEVGC-OAHLLOKOSA-N 1 0 385.277 2.454 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC(F)(F)C2)cc1Cl ZINC000540683698 532742729 /nfs/dbraw/zinc/74/27/29/532742729.db2.gz IANNXZNCUFXZQC-UHFFFAOYSA-N 1 0 375.803 2.087 20 0 GEADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000540723503 532742881 /nfs/dbraw/zinc/74/28/81/532742881.db2.gz PQXXYBNSDODTHU-IACUBPJLSA-N 1 0 387.571 2.165 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000410899276 532743012 /nfs/dbraw/zinc/74/30/12/532743012.db2.gz MDOJDADGMBKZNW-UHFFFAOYSA-N 1 0 396.329 2.208 20 0 GEADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000540723504 532743562 /nfs/dbraw/zinc/74/35/62/532743562.db2.gz PQXXYBNSDODTHU-UBHSHLNASA-N 1 0 387.571 2.165 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000540731448 532743894 /nfs/dbraw/zinc/74/38/94/532743894.db2.gz JREIDVQZKAUUDS-GJZGRUSLSA-N 1 0 396.329 2.112 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc(Br)c1 ZINC000286393385 532743936 /nfs/dbraw/zinc/74/39/36/532743936.db2.gz ZRRVCAGETSXZGX-IUODEOHRSA-N 1 0 376.316 2.364 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC(C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000615513917 532746933 /nfs/dbraw/zinc/74/69/33/532746933.db2.gz CTRRPUUFEHNOFT-MRXNPFEDSA-N 1 0 382.302 2.036 20 0 GEADRO C[NH+](C)CC1CN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000615509709 532746983 /nfs/dbraw/zinc/74/69/83/532746983.db2.gz QLSSQTAHHRVPPT-KRWDZBQOSA-N 1 0 386.323 2.387 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000267596216 532747307 /nfs/dbraw/zinc/74/73/07/532747307.db2.gz CCTZIYRNKVKUSE-UHFFFAOYSA-N 1 0 388.536 2.349 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615515448 532747455 /nfs/dbraw/zinc/74/74/55/532747455.db2.gz MNOJRERPNDHVGS-INIZCTEOSA-N 1 0 396.329 2.224 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)CC12CCOCC2 ZINC000580444250 532747557 /nfs/dbraw/zinc/74/75/57/532747557.db2.gz ZTFAUQUZFXTEOG-CYBMUJFWSA-N 1 0 385.277 2.345 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000577096041 532732909 /nfs/dbraw/zinc/73/29/09/532732909.db2.gz TXYSBBBZTMVKQN-JTQLQIEISA-N 1 0 389.905 2.068 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[NH+](C(C)(C)CO)CC1 ZINC000673894267 532733614 /nfs/dbraw/zinc/73/36/14/532733614.db2.gz CHUJSOOTPRFEOH-ZDUSSCGKSA-N 1 0 384.318 2.165 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](O)c2c(F)cccc2Cl)CCSC1 ZINC000267138011 532733741 /nfs/dbraw/zinc/73/37/41/532733741.db2.gz DVOQVLIJDIMFCM-CZUORRHYSA-N 1 0 375.897 2.249 20 0 GEADRO CC(C)(CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)S(C)(=O)=O ZINC000674028644 532735010 /nfs/dbraw/zinc/73/50/10/532735010.db2.gz FWSCJBNKYCWEPD-UHFFFAOYSA-N 1 0 387.571 2.083 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000410159780 532735834 /nfs/dbraw/zinc/73/58/34/532735834.db2.gz QBCZWTZJJJUNMM-YPMHNXCESA-N 1 0 391.331 2.360 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000299708846 532735915 /nfs/dbraw/zinc/73/59/15/532735915.db2.gz QBCFUNACUIQQMX-IINYFYTJSA-N 1 0 385.295 2.457 20 0 GEADRO Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000501127690 532736302 /nfs/dbraw/zinc/73/63/02/532736302.db2.gz IZJWMIGRHUFFST-GDBMZVCRSA-N 1 0 379.551 2.272 20 0 GEADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(I)cc2)[C@H](C[NH3+])C1 ZINC000300090864 532736976 /nfs/dbraw/zinc/73/69/76/532736976.db2.gz OLPMAVUSFNRCSJ-PWSUYJOCSA-N 1 0 394.278 2.039 20 0 GEADRO CN(c1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1)S(C)(=O)=O ZINC000674878668 532737249 /nfs/dbraw/zinc/73/72/49/532737249.db2.gz KTQJBOKBXHTTBL-UHFFFAOYSA-N 1 0 381.523 2.136 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(F)cccc3Br)C2)CC1 ZINC000267198425 532737853 /nfs/dbraw/zinc/73/78/53/532737853.db2.gz DLPDEBRGZXMXFT-CYBMUJFWSA-N 1 0 384.293 2.440 20 0 GEADRO CSc1cc(Br)ccc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614515693 532738238 /nfs/dbraw/zinc/73/82/38/532738238.db2.gz ZAHXKNPVJKYDTB-CYBMUJFWSA-N 1 0 384.343 2.291 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000501186049 532738820 /nfs/dbraw/zinc/73/88/20/532738820.db2.gz KOCJZKBPRPRLOE-QGZVFWFLSA-N 1 0 375.579 2.176 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1(Cc2ccccc2Br)CC1 ZINC000614505050 532739655 /nfs/dbraw/zinc/73/96/55/532739655.db2.gz IHYCOQPRNYOGEB-INIZCTEOSA-N 1 0 392.341 2.278 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1nc2ccccc2cc1Br ZINC000614506767 532739813 /nfs/dbraw/zinc/73/98/13/532739813.db2.gz ZWLBVPUYYZGMOH-CQSZACIVSA-N 1 0 389.297 2.117 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Cl)c(Br)cc1F ZINC000614503540 532739865 /nfs/dbraw/zinc/73/98/65/532739865.db2.gz MTPMAVLWWWAFPW-SNVBAGLBSA-N 1 0 390.684 2.361 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000675782731 532740616 /nfs/dbraw/zinc/74/06/16/532740616.db2.gz XTSJUQRFGQEESY-OAHLLOKOSA-N 1 0 382.302 2.026 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000267623937 532747981 /nfs/dbraw/zinc/74/79/81/532747981.db2.gz DXVFRBVWRCWCAC-OLZOCXBDSA-N 1 0 377.539 2.381 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000675782063 532740889 /nfs/dbraw/zinc/74/08/89/532740889.db2.gz MDCMKSYZXXAEJH-AWEZNQCLSA-N 1 0 384.343 2.350 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000502826075 532741343 /nfs/dbraw/zinc/74/13/43/532741343.db2.gz CGUFGYQFFOPLLX-ZDUSSCGKSA-N 1 0 397.317 2.432 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000410428678 532741437 /nfs/dbraw/zinc/74/14/37/532741437.db2.gz ABOSEWUZSILMDE-UHFFFAOYSA-N 1 0 396.329 2.004 20 0 GEADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccncc1Br ZINC000581362589 532754570 /nfs/dbraw/zinc/75/45/70/532754570.db2.gz 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ZINC000411389889 532758693 /nfs/dbraw/zinc/75/86/93/532758693.db2.gz MOIXQCPSSKETIL-MRXNPFEDSA-N 1 0 387.274 2.336 20 0 GEADRO O=C(COc1ccc2cc(Br)ccc2c1)NC[C@H]1C[NH2+]CCCO1 ZINC000581924846 532759589 /nfs/dbraw/zinc/75/95/89/532759589.db2.gz OGCVOAWNUHRIFZ-QGZVFWFLSA-N 1 0 393.281 2.476 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC12CCOCC2 ZINC000582606030 532760267 /nfs/dbraw/zinc/76/02/67/532760267.db2.gz DVTUNDGNGDFUAN-SNVBAGLBSA-N 1 0 384.445 2.143 20 0 GEADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCN(CC(N)=O)CC2)c1C ZINC000301350010 532749207 /nfs/dbraw/zinc/74/92/07/532749207.db2.gz JNMPAZGPNDOSGD-UHFFFAOYSA-N 1 0 377.286 2.221 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[N@@H+]1C ZINC000443719208 532749570 /nfs/dbraw/zinc/74/95/70/532749570.db2.gz BPYDMOHTDKVLIQ-PSASIEDQSA-N 1 0 390.228 2.265 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@H](C)C[NH2+]1 ZINC000505849643 532750512 /nfs/dbraw/zinc/75/05/12/532750512.db2.gz BBLJDKCVVZXBJU-UPJWGTAASA-N 1 0 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CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(I)c(O)c1 ZINC000311771448 532778450 /nfs/dbraw/zinc/77/84/50/532778450.db2.gz VZNGXDLERIFYPR-SNVBAGLBSA-N 1 0 376.238 2.455 20 0 GEADRO CC[C@@H](CSC)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000286999262 532778536 /nfs/dbraw/zinc/77/85/36/532778536.db2.gz IOOVIBLTPYVLHU-CABCVRRESA-N 1 0 383.583 2.334 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(I)c(O)c3)C2)C1 ZINC000312686036 532778706 /nfs/dbraw/zinc/77/87/06/532778706.db2.gz LWKDQBQZLNKWNC-HNNXBMFYSA-N 1 0 386.233 2.165 20 0 GEADRO CSCCCN(C)C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000287013245 532778765 /nfs/dbraw/zinc/77/87/65/532778765.db2.gz JJDDDARSIFBIHM-UHFFFAOYSA-N 1 0 383.583 2.288 20 0 GEADRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000411907728 532779425 /nfs/dbraw/zinc/77/94/25/532779425.db2.gz GQCYMMVATIQUKC-ZOBUZTSGSA-N 1 0 397.313 2.335 20 0 GEADRO O=C(C[NH2+]C1CCN(c2cnccn2)CC1)Nc1cccc(Br)c1 ZINC000542776481 532779542 /nfs/dbraw/zinc/77/95/42/532779542.db2.gz PBKLMWUSUSTFPR-UHFFFAOYSA-N 1 0 390.285 2.436 20 0 GEADRO NS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)cc1C(F)(F)F ZINC000301976288 532763503 /nfs/dbraw/zinc/76/35/03/532763503.db2.gz DLVHANKRJIPMII-CYBMUJFWSA-N 1 0 377.432 2.417 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620489599 532763846 /nfs/dbraw/zinc/76/38/46/532763846.db2.gz UEADIJXEPMZARZ-CZUORRHYSA-N 1 0 397.313 2.274 20 0 GEADRO O=C(Cc1cccc(Cl)c1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000583079314 532764187 /nfs/dbraw/zinc/76/41/87/532764187.db2.gz VJPKJQOFYFZGNU-GFCCVEGCSA-N 1 0 384.229 2.488 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000268468991 532765066 /nfs/dbraw/zinc/76/50/66/532765066.db2.gz PUYUNQPYYDJJPN-HZPDHXFCSA-N 1 0 397.361 2.315 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)CCO1 ZINC000620968074 532765147 /nfs/dbraw/zinc/76/51/47/532765147.db2.gz YOJSQVUEKPGZDD-CYBMUJFWSA-N 1 0 399.285 2.361 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)CN[C@H](CO)c2cccc(Br)c2)CC1 ZINC000411510045 532765570 /nfs/dbraw/zinc/76/55/70/532765570.db2.gz WAOLSYLGALERDS-QGZVFWFLSA-N 1 0 398.345 2.061 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CCC(=O)Nc2cccc(Br)c2)CCOC1 ZINC000411548344 532766554 /nfs/dbraw/zinc/76/65/54/532766554.db2.gz WZGVAAXIFWKWHO-INIZCTEOSA-N 1 0 385.258 2.090 20 0 GEADRO C[C@H](CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)C[NH+](C)C ZINC000411555256 532766629 /nfs/dbraw/zinc/76/66/29/532766629.db2.gz VKUZVNGRCZPHJI-MFKMUULPSA-N 1 0 379.810 2.374 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451627367 532767999 /nfs/dbraw/zinc/76/79/99/532767999.db2.gz GSRPDKDWQBUYBN-IINYFYTJSA-N 1 0 386.279 2.354 20 0 GEADRO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000411592551 532768486 /nfs/dbraw/zinc/76/84/86/532768486.db2.gz DBFKGJYNTGYPFJ-SRVKXCTJSA-N 1 0 382.427 2.054 20 0 GEADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000411612447 532769908 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COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(Cl)c1 ZINC000286863795 532772830 /nfs/dbraw/zinc/77/28/30/532772830.db2.gz YEELDRWWCUAGIK-IUODEOHRSA-N 1 0 386.901 2.374 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000302730628 532773805 /nfs/dbraw/zinc/77/38/05/532773805.db2.gz LVNGHDJPINLUBN-RISCZKNCSA-N 1 0 377.432 2.273 20 0 GEADRO COc1ccc(C[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C)cc1Br ZINC000456491210 532782450 /nfs/dbraw/zinc/78/24/50/532782450.db2.gz LLTVWLZXSZNZNC-CQSZACIVSA-N 1 0 387.318 2.065 20 0 GEADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000411982093 532782729 /nfs/dbraw/zinc/78/27/29/532782729.db2.gz JKOXFFPLUGBXEC-GXFFZTMASA-N 1 0 378.803 2.257 20 0 GEADRO C[NH+]1CCC(C(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000456498252 532783133 /nfs/dbraw/zinc/78/31/33/532783133.db2.gz ZPRUJRFUXCIVGK-LBPRGKRZSA-N 1 0 387.293 2.197 20 0 GEADRO CC(C)(CN1CCOCC1)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411997271 532783501 /nfs/dbraw/zinc/78/35/01/532783501.db2.gz HILVSICDKHEDRM-UHFFFAOYSA-N 1 0 384.318 2.478 20 0 GEADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000412078766 532784531 /nfs/dbraw/zinc/78/45/31/532784531.db2.gz OOFZQLMSQRNURR-UONOGXRCSA-N 1 0 377.428 2.447 20 0 GEADRO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000269618065 532785001 /nfs/dbraw/zinc/78/50/01/532785001.db2.gz MVXXBARREIQYBN-HNNXBMFYSA-N 1 0 390.571 2.193 20 0 GEADRO CC(C)[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C[C@H]1CCC(=O)N1 ZINC000412085731 532785690 /nfs/dbraw/zinc/78/56/90/532785690.db2.gz ZOFWCIBMFORICD-HUUCEWRRSA-N 1 0 385.302 2.178 20 0 GEADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)COCc1ccccc1Cl ZINC000319223312 532785723 /nfs/dbraw/zinc/78/57/23/532785723.db2.gz SRMGONOWHQHPFC-AWEZNQCLSA-N 1 0 388.693 2.466 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)C[N@@H+](C)[C@@H]3CCSC3)nc12 ZINC000546819776 532786098 /nfs/dbraw/zinc/78/60/98/532786098.db2.gz AJMMOSGWHKTYAJ-CQSZACIVSA-N 1 0 397.342 2.459 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000287215594 532786593 /nfs/dbraw/zinc/78/65/93/532786593.db2.gz OCCGBMLUICOANT-VIFPVBQESA-N 1 0 394.324 2.114 20 0 GEADRO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412347644 532789010 /nfs/dbraw/zinc/78/90/10/532789010.db2.gz LONWNWIJDZKPLS-HUUCEWRRSA-N 1 0 379.492 2.347 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC(C)(C)C[NH+](C)C ZINC000457207322 532789199 /nfs/dbraw/zinc/78/91/99/532789199.db2.gz BZEVNSWLBLFFBO-UHFFFAOYSA-N 1 0 391.331 2.231 20 0 GEADRO COc1cc(CNC(=O)C[C@H]2CSCCS2)ccc1OCC[NH+](C)C ZINC000269746417 532789523 /nfs/dbraw/zinc/78/95/23/532789523.db2.gz NYCRTTJRICKPMH-HNNXBMFYSA-N 1 0 384.567 2.491 20 0 GEADRO C[C@@H](CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)[NH+](C)C ZINC000412382258 532789907 /nfs/dbraw/zinc/78/99/07/532789907.db2.gz CJLDBXZOKWVMOM-NSHDSACASA-N 1 0 376.507 2.253 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(Cl)s1 ZINC000287319149 532791558 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Cn1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(C(F)(F)F)n1 ZINC000328716540 532796534 /nfs/dbraw/zinc/79/65/34/532796534.db2.gz DWJOBSKWVYRATN-LBPRGKRZSA-N 1 0 380.436 2.078 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(I)cn3)CC[C@H]21 ZINC000456016374 532780616 /nfs/dbraw/zinc/78/06/16/532780616.db2.gz PFXYXZUKMOTJST-BXUZGUMPSA-N 1 0 385.249 2.243 20 0 GEADRO CC[N@H+](CC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000456489608 532781432 /nfs/dbraw/zinc/78/14/32/532781432.db2.gz PEHRCRQDGRFGML-LBPRGKRZSA-N 1 0 387.293 2.340 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000411938374 532781650 /nfs/dbraw/zinc/78/16/50/532781650.db2.gz MWIRKYKEUHBZQE-GFCCVEGCSA-N 1 0 379.258 2.409 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000271290309 532806817 /nfs/dbraw/zinc/80/68/17/532806817.db2.gz RVZISRXKLXPSMB-UHFFFAOYSA-N 1 0 380.290 2.342 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000413236403 532807667 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CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000413314369 532809861 /nfs/dbraw/zinc/80/98/61/532809861.db2.gz MQUCVKYNXVMWMZ-IUODEOHRSA-N 1 0 387.933 2.416 20 0 GEADRO CC[C@@H](CSC)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000271613378 532810486 /nfs/dbraw/zinc/81/04/86/532810486.db2.gz ACDLSEJXIPXQLO-HNNXBMFYSA-N 1 0 381.567 2.432 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)NCCC(C)(C)S(C)(=O)=O)CC1 ZINC000413366702 532810643 /nfs/dbraw/zinc/81/06/43/532810643.db2.gz YDYQEPMBKSSMAQ-UHFFFAOYSA-N 1 0 375.579 2.257 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459697650 532797217 /nfs/dbraw/zinc/79/72/17/532797217.db2.gz YRDHLKYCYHFSRB-UKRRQHHQSA-N 1 0 385.302 2.070 20 0 GEADRO Cc1cc(Br)cc(C[NH2+]C[C@H](O)Cn2ccnn2)c1OC(F)F ZINC000459687938 532797722 /nfs/dbraw/zinc/79/77/22/532797722.db2.gz BZAQZKOVHMWFRJ-LBPRGKRZSA-N 1 0 391.216 2.101 20 0 GEADRO C[NH+](C)CC1(CNC(=O)C(=O)NCc2ccccc2Br)CCCC1 ZINC000550787185 532798781 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GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccsc2Br)CC[N@@H+]1C ZINC000287625134 532803562 /nfs/dbraw/zinc/80/35/62/532803562.db2.gz OYBHKYPEAPIBPT-CMPLNLGQSA-N 1 0 388.331 2.068 20 0 GEADRO COc1cc(Br)cc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000271191446 532804456 /nfs/dbraw/zinc/80/44/56/532804456.db2.gz GQYYDMBHGPIVAP-LBPRGKRZSA-N 1 0 385.306 2.215 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(Br)s1)CCO2 ZINC000271968163 532812461 /nfs/dbraw/zinc/81/24/61/532812461.db2.gz HEWQZPSXZPVIPC-GXFFZTMASA-N 1 0 380.329 2.337 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cc(Br)cs1)CCO2 ZINC000272101390 532813270 /nfs/dbraw/zinc/81/32/70/532813270.db2.gz VPMAYKVWFKWTBK-AAEUAGOBSA-N 1 0 380.329 2.337 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(Br)c1 ZINC000272382177 532814901 /nfs/dbraw/zinc/81/49/01/532814901.db2.gz WNCYEHAGQFIXNG-DOMZBBRYSA-N 1 0 380.286 2.249 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C(C)(C)CC(F)F)c1 ZINC000413698613 532813797 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2.039 20 0 GEADRO C[C@@H](NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000272686006 532816934 /nfs/dbraw/zinc/81/69/34/532816934.db2.gz BPHSBVFMBRBHSC-CYBMUJFWSA-N 1 0 385.917 2.063 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1csc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000330303557 532816983 /nfs/dbraw/zinc/81/69/83/532816983.db2.gz PIXORJZEOBZRNQ-LBPRGKRZSA-N 1 0 387.958 2.469 20 0 GEADRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000272812793 532818401 /nfs/dbraw/zinc/81/84/01/532818401.db2.gz CVSFEDRNQWSFCP-KRWDZBQOSA-N 1 0 380.535 2.492 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000288160820 532819310 /nfs/dbraw/zinc/81/93/10/532819310.db2.gz OELTZFVNWHXOSX-NSHDSACASA-N 1 0 396.887 2.332 20 0 GEADRO O[C@@H](C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)Cn1ccnn1 ZINC000414182526 532819660 /nfs/dbraw/zinc/81/96/60/532819660.db2.gz MRMGEHOGLXWCQD-GOEBONIOSA-N 1 0 377.242 2.374 20 0 GEADRO COCCC[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(Br)cc1 ZINC000414200183 532820283 /nfs/dbraw/zinc/82/02/83/532820283.db2.gz XJWKDFQVYUUBAP-HOTGVXAUSA-N 1 0 383.290 2.159 20 0 GEADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000330421426 532818051 /nfs/dbraw/zinc/81/80/51/532818051.db2.gz RPQYMVAUEYRIFN-UHFFFAOYSA-N 1 0 380.432 2.139 20 0 GEADRO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H](C)C[N@@H+]1C ZINC000330566118 532821210 /nfs/dbraw/zinc/82/12/10/532821210.db2.gz AONYZVVJIFACOC-OLZOCXBDSA-N 1 0 382.302 2.120 20 0 GEADRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414356286 532821654 /nfs/dbraw/zinc/82/16/54/532821654.db2.gz DNNVINFDBPTAFP-QWHCGFSZSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414350568 532821660 /nfs/dbraw/zinc/82/16/60/532821660.db2.gz LSSLZKWSDSBDDY-LLVKDONJSA-N 1 0 398.280 2.280 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCc3sc(Br)cc32)nn1 ZINC000414351285 532821887 /nfs/dbraw/zinc/82/18/87/532821887.db2.gz NDVOWSLYCUBZEO-JTQLQIEISA-N 1 0 384.303 2.258 20 0 GEADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000414349875 532821920 /nfs/dbraw/zinc/82/19/20/532821920.db2.gz ZQACDIVXBVIXIU-MSOLQXFVSA-N 1 0 387.567 2.494 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+][C@@H]2CCc3cc(Br)ccc32)nn1 ZINC000414351853 532821941 /nfs/dbraw/zinc/82/19/41/532821941.db2.gz ONKWQHIJGACZQF-CQSZACIVSA-N 1 0 378.274 2.197 20 0 GEADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414356923 532821964 /nfs/dbraw/zinc/82/19/64/532821964.db2.gz ANKUZVAJCCBUNY-UHFFFAOYSA-N 1 0 375.922 2.018 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(CCO)CCCC2)cc1Br ZINC000414358723 532822374 /nfs/dbraw/zinc/82/23/74/532822374.db2.gz CIMSZLBRVCNQNO-UHFFFAOYSA-N 1 0 391.331 2.129 20 0 GEADRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1(C)C ZINC000414367745 532822418 /nfs/dbraw/zinc/82/24/18/532822418.db2.gz SGNDNDOMWZKBCT-HIFRSBDPSA-N 1 0 391.331 2.390 20 0 GEADRO NC(=O)c1cc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)on1 ZINC000273416106 532823594 /nfs/dbraw/zinc/82/35/94/532823594.db2.gz PIUYCLNKNNXJML-UHFFFAOYSA-N 1 0 393.285 2.290 20 0 GEADRO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c(F)c1 ZINC000414398479 532825200 /nfs/dbraw/zinc/82/52/00/532825200.db2.gz UFVYFLIDSFXAGT-UHFFFAOYSA-N 1 0 386.470 2.092 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000273557595 532826843 /nfs/dbraw/zinc/82/68/43/532826843.db2.gz IOSRVDVFRRTHTP-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)CC(=O)N1Cc1ccccc1 ZINC000414451159 532827662 /nfs/dbraw/zinc/82/76/62/532827662.db2.gz ZSQYPTUYBDDWDH-CZUORRHYSA-N 1 0 378.519 2.431 20 0 GEADRO COC(C[N@H+](CCCO)C[C@H](O)COc1cc(Cl)ccc1Cl)OC ZINC000273590090 532827840 /nfs/dbraw/zinc/82/78/40/532827840.db2.gz JBFMSQUDOXKPOP-ZDUSSCGKSA-N 1 0 382.284 2.036 20 0 GEADRO COC(=O)[C@H]1CN(CC2=Cc3cc(Br)ccc3OC2)CC[N@H+](C)C1 ZINC000414484435 532830703 /nfs/dbraw/zinc/83/07/03/532830703.db2.gz GXCGHIROTXAXNB-OAHLLOKOSA-N 1 0 395.297 2.262 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000330889668 532829111 /nfs/dbraw/zinc/82/91/11/532829111.db2.gz IZAFCHDDDJJOMN-LBPRGKRZSA-N 1 0 376.320 2.243 20 0 GEADRO O=C(Nc1ccncc1I)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000273688012 532830874 /nfs/dbraw/zinc/83/08/74/532830874.db2.gz GUZDOWOZPJRBIL-OLZOCXBDSA-N 1 0 386.237 2.435 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cc1Cl ZINC000414465827 532829730 /nfs/dbraw/zinc/82/97/30/532829730.db2.gz TUBOSIMKGGFALX-JSGCOSHPSA-N 1 0 377.869 2.199 20 0 GEADRO CCOc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc(Br)c1OC ZINC000288587439 532832646 /nfs/dbraw/zinc/83/26/46/532832646.db2.gz OJBJCYDDUZGSDK-GXFFZTMASA-N 1 0 392.315 2.379 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[N@H+](C)CCn1cc(Br)cn1 ZINC000288674774 532834431 /nfs/dbraw/zinc/83/44/31/532834431.db2.gz CLTZRYWDZPZPAG-UHFFFAOYSA-N 1 0 396.314 2.198 20 0 GEADRO CCC[N@H+](C)[C@@H](CNC(=O)C(=O)Nc1cnns1)c1ccc(Cl)cc1 ZINC000288613358 532833157 /nfs/dbraw/zinc/83/31/57/532833157.db2.gz RCSYTPKFPIWHKA-ZDUSSCGKSA-N 1 0 381.889 2.329 20 0 GEADRO C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000288641929 532833431 /nfs/dbraw/zinc/83/34/31/532833431.db2.gz NMAFIRZDUXMGJY-NSHDSACASA-N 1 0 388.281 2.405 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1nc(C(F)(F)F)cs1 ZINC000414749117 532834918 /nfs/dbraw/zinc/83/49/18/532834918.db2.gz PNHLWCZHKXNLKS-MRVPVSSYSA-N 1 0 391.341 2.120 20 0 GEADRO COC[C@@]1(CNC(=O)Nc2ccccc2I)CCC[NH2+]1 ZINC000414657593 532834006 /nfs/dbraw/zinc/83/40/06/532834006.db2.gz HTPLKJPAACWPLY-AWEZNQCLSA-N 1 0 389.237 2.181 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000331232055 532836361 /nfs/dbraw/zinc/83/63/61/532836361.db2.gz JGWBLBQRDNTQSZ-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO CC(C)C[C@H]([NH3+])CN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000414752440 532834979 /nfs/dbraw/zinc/83/49/79/532834979.db2.gz KQUNQKIFLXJICY-INIZCTEOSA-N 1 0 397.361 2.379 20 0 GEADRO Cn1c(=O)cc(C[N@H+]2CC=C(c3cccc(Br)c3)CC2)n(C)c1=O ZINC000273809794 532835290 /nfs/dbraw/zinc/83/52/90/532835290.db2.gz CUWFTCQHVBIRHW-UHFFFAOYSA-N 1 0 390.281 2.136 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000414987672 532836863 /nfs/dbraw/zinc/83/68/63/532836863.db2.gz KYAXKILVJDPYGC-UHFFFAOYSA-N 1 0 385.306 2.183 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ncc2F)CC1 ZINC000273914740 532837186 /nfs/dbraw/zinc/83/71/86/532837186.db2.gz YLOSSZPWVUUXTF-JTQLQIEISA-N 1 0 394.310 2.448 20 0 GEADRO COc1ccc(I)c(NC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000415072482 532837557 /nfs/dbraw/zinc/83/75/57/532837557.db2.gz MFEVSZZVMYXIPM-SECBINFHSA-N 1 0 375.210 2.255 20 0 GEADRO O=C(Nc1cc(F)c(I)c(F)c1)N[C@H]1CCC[NH2+]C1 ZINC000415114876 532837906 /nfs/dbraw/zinc/83/79/06/532837906.db2.gz GJFDPRZANVNAQB-ZETCQYMHSA-N 1 0 381.164 2.443 20 0 GEADRO O=C1N[C@@H]2CN(Cc3ccc(Br)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415132551 532838696 /nfs/dbraw/zinc/83/86/96/532838696.db2.gz BAQLYLANKJYTGU-SJORKVTESA-N 1 0 393.329 2.169 20 0 GEADRO COc1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(Br)c1O ZINC000415134294 532838872 /nfs/dbraw/zinc/83/88/72/532838872.db2.gz VXGJUHFNVACHKZ-CYBMUJFWSA-N 1 0 396.289 2.051 20 0 GEADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000415209955 532839450 /nfs/dbraw/zinc/83/94/50/532839450.db2.gz JSZVQICWZYWSBQ-GFCCVEGCSA-N 1 0 395.257 2.420 20 0 GEADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000415209957 532839552 /nfs/dbraw/zinc/83/95/52/532839552.db2.gz JSZVQICWZYWSBQ-LBPRGKRZSA-N 1 0 395.257 2.420 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)n1 ZINC000415268445 532839709 /nfs/dbraw/zinc/83/97/09/532839709.db2.gz JQILNGKVZQVNKY-LBPRGKRZSA-N 1 0 376.507 2.491 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000415272493 532839889 /nfs/dbraw/zinc/83/98/89/532839889.db2.gz QBBDYVVZAAYLBD-JTQLQIEISA-N 1 0 379.766 2.169 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1sccc1Br)CCO2 ZINC000274059534 532840130 /nfs/dbraw/zinc/84/01/30/532840130.db2.gz IIDFELMLAZDWEI-GWCFXTLKSA-N 1 0 380.329 2.337 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)Nc1cccc(Br)c1 ZINC000274062963 532840155 /nfs/dbraw/zinc/84/01/55/532840155.db2.gz UERIONJZQHSUAX-HNNXBMFYSA-N 1 0 395.301 2.314 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1sccc1Br)CCO2 ZINC000274059538 532840216 /nfs/dbraw/zinc/84/02/16/532840216.db2.gz IIDFELMLAZDWEI-GXFFZTMASA-N 1 0 380.329 2.337 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000415273087 532840268 /nfs/dbraw/zinc/84/02/68/532840268.db2.gz QZSSATMUGQFALS-VIFPVBQESA-N 1 0 394.191 2.356 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415304497 532840663 /nfs/dbraw/zinc/84/06/63/532840663.db2.gz HHKHMMGYFAZNNE-UHFFFAOYSA-N 1 0 382.180 2.132 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331521216 532840746 /nfs/dbraw/zinc/84/07/46/532840746.db2.gz JOIABZHMQCOMMG-MRXNPFEDSA-N 1 0 384.249 2.129 20 0 GEADRO CNC(=O)CSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000005878389 204155502 /nfs/dbraw/zinc/15/55/02/204155502.db2.gz TXGZBHOQALGYFL-UHFFFAOYSA-N 1 0 376.526 2.353 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000415303403 532840853 /nfs/dbraw/zinc/84/08/53/532840853.db2.gz SEUAKMITEFTZIE-SECBINFHSA-N 1 0 394.191 2.227 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000415324473 532841066 /nfs/dbraw/zinc/84/10/66/532841066.db2.gz DWPCFHRSRXXREU-LBPRGKRZSA-N 1 0 398.301 2.291 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C1 ZINC000415324797 532841136 /nfs/dbraw/zinc/84/11/36/532841136.db2.gz UWUBHKOWAAHCSY-CYBMUJFWSA-N 1 0 376.507 2.362 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000331542909 532841279 /nfs/dbraw/zinc/84/12/79/532841279.db2.gz QRTKGPQTIKBZGM-IINYFYTJSA-N 1 0 389.315 2.219 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cnc1Br ZINC000288898715 532841424 /nfs/dbraw/zinc/84/14/24/532841424.db2.gz GWVWKKJTMFMNJI-TZMCWYRMSA-N 1 0 395.301 2.176 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CCCCCC1 ZINC000415322318 532841534 /nfs/dbraw/zinc/84/15/34/532841534.db2.gz XXXIEHGEPSGPLF-UHFFFAOYSA-N 1 0 378.420 2.354 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415329405 532841584 /nfs/dbraw/zinc/84/15/84/532841584.db2.gz KJDIEOYCEXGABB-SNVBAGLBSA-N 1 0 375.416 2.237 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000331595979 532841619 /nfs/dbraw/zinc/84/16/19/532841619.db2.gz YKVPNVRJAYACPG-HZMBPMFUSA-N 1 0 389.315 2.219 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415332770 532841775 /nfs/dbraw/zinc/84/17/75/532841775.db2.gz OBPHFSGYZGOCSR-GHMZBOCLSA-N 1 0 382.258 2.309 20 0 GEADRO COc1cccc([C@@H](CNC(=O)CCNC(=O)OCC(F)(F)F)[NH+](C)C)c1 ZINC000057216734 205154614 /nfs/dbraw/zinc/15/46/14/205154614.db2.gz ZKXYZWDAJMFUNA-CQSZACIVSA-N 1 0 391.390 2.093 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415342600 532842106 /nfs/dbraw/zinc/84/21/06/532842106.db2.gz AJHOVIQTYRSPCO-VXGBXAGGSA-N 1 0 398.301 2.291 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000415344972 532842143 /nfs/dbraw/zinc/84/21/43/532842143.db2.gz OQAAXKZWIPAHEB-VIFPVBQESA-N 1 0 379.766 2.040 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000415352077 532842154 /nfs/dbraw/zinc/84/21/54/532842154.db2.gz OXEPCPBLAJBPFX-ZYHUDNBSSA-N 1 0 395.301 2.164 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000415352476 532842225 /nfs/dbraw/zinc/84/22/25/532842225.db2.gz KPEKQVVDGJEOKX-MRVPVSSYSA-N 1 0 394.191 2.214 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000415351859 532842321 /nfs/dbraw/zinc/84/23/21/532842321.db2.gz KECLHDUMADPSPX-DTWKUNHWSA-N 1 0 390.228 2.170 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(F)cc1Br ZINC000415346356 532842431 /nfs/dbraw/zinc/84/24/31/532842431.db2.gz HIIKOLFKQBRYHN-QWRGUYRKSA-N 1 0 386.265 2.339 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000415358015 532842543 /nfs/dbraw/zinc/84/25/43/532842543.db2.gz STWYVQDSIABGGT-MRVPVSSYSA-N 1 0 394.191 2.214 20 0 GEADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415355322 532842570 /nfs/dbraw/zinc/84/25/70/532842570.db2.gz GGXUZFQESSCVBW-SSDOTTSWSA-N 1 0 386.168 2.131 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415353461 532842640 /nfs/dbraw/zinc/84/26/40/532842640.db2.gz QWPNIEAQUBBQQP-NWDGAFQWSA-N 1 0 398.301 2.209 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415358964 532842791 /nfs/dbraw/zinc/84/27/91/532842791.db2.gz VGSOVWJJZDOOJE-SECBINFHSA-N 1 0 377.844 2.443 20 0 GEADRO O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000241588223 206127050 /nfs/dbraw/zinc/12/70/50/206127050.db2.gz PAXWCZXLYGWFDN-QFIPXVFZSA-N 1 0 391.515 2.338 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000331694221 532842904 /nfs/dbraw/zinc/84/29/04/532842904.db2.gz XZSYNOGOPBYPJU-WBMJQRKESA-N 1 0 382.302 2.456 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000053391628 206209097 /nfs/dbraw/zinc/20/90/97/206209097.db2.gz VVHATEYDDGHNBL-INIZCTEOSA-N 1 0 393.553 2.467 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415372903 532842978 /nfs/dbraw/zinc/84/29/78/532842978.db2.gz VRUHHWYOKRWTHH-UHFFFAOYSA-N 1 0 383.073 2.420 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000415367638 532843075 /nfs/dbraw/zinc/84/30/75/532843075.db2.gz IBNQBBUGEVXEFA-UHFFFAOYSA-N 1 0 376.201 2.052 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415368917 532843087 /nfs/dbraw/zinc/84/30/87/532843087.db2.gz BCXHIZWRNKMCLE-VIFPVBQESA-N 1 0 394.191 2.275 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415377955 532843146 /nfs/dbraw/zinc/84/31/46/532843146.db2.gz MSLJKTVTMKEIAZ-SSDOTTSWSA-N 1 0 378.629 2.048 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415374034 532843151 /nfs/dbraw/zinc/84/31/51/532843151.db2.gz IKHAAMXPMNKKAD-SSDOTTSWSA-N 1 0 378.629 2.048 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000288972316 532843489 /nfs/dbraw/zinc/84/34/89/532843489.db2.gz FQBDVOGRVDQLGP-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415394340 532843942 /nfs/dbraw/zinc/84/39/42/532843942.db2.gz MGGZFSWUHKNFBL-LLVKDONJSA-N 1 0 378.885 2.470 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415396859 532844168 /nfs/dbraw/zinc/84/41/68/532844168.db2.gz QGTIHFWQXIOZJI-SNVBAGLBSA-N 1 0 375.803 2.038 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000415407999 532844314 /nfs/dbraw/zinc/84/43/14/532844314.db2.gz RHSNBHKMHTZNEA-LBPRGKRZSA-N 1 0 398.301 2.291 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000415403492 532844508 /nfs/dbraw/zinc/84/45/08/532844508.db2.gz KJSHZQPTXGSOMI-WDEREUQCSA-N 1 0 382.258 2.309 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000415403811 532844619 /nfs/dbraw/zinc/84/46/19/532844619.db2.gz XFUUHXVYMXYXRN-QMMMGPOBSA-N 1 0 390.228 2.252 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415428205 532844699 /nfs/dbraw/zinc/84/46/99/532844699.db2.gz CRRHFBLZLMESMC-IUCAKERBSA-N 1 0 390.228 2.252 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)C1CCCCC1 ZINC000415427917 532844755 /nfs/dbraw/zinc/84/47/55/532844755.db2.gz PJTXXQYZVJZHEO-HNNXBMFYSA-N 1 0 394.313 2.362 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1Br ZINC000415425428 532844890 /nfs/dbraw/zinc/84/48/90/532844890.db2.gz KVEQIMHEXRXXPQ-CYBMUJFWSA-N 1 0 383.290 2.115 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000415431704 532845011 /nfs/dbraw/zinc/84/50/11/532845011.db2.gz DWSYRDQZBSVENX-NXEZZACHSA-N 1 0 375.803 2.466 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415429244 532845098 /nfs/dbraw/zinc/84/50/98/532845098.db2.gz BAGSYHKOYRBLPQ-CYBMUJFWSA-N 1 0 384.267 2.217 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000415431707 532845125 /nfs/dbraw/zinc/84/51/25/532845125.db2.gz DWSYRDQZBSVENX-UWVGGRQHSA-N 1 0 375.803 2.466 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415436273 532845292 /nfs/dbraw/zinc/84/52/92/532845292.db2.gz YKBRHIPYAGTIBE-GFCCVEGCSA-N 1 0 386.290 2.276 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415434417 532845412 /nfs/dbraw/zinc/84/54/12/532845412.db2.gz WHLKWIPMUVSPNZ-LLVKDONJSA-N 1 0 393.285 2.425 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC[C@@H]1[NH3+] ZINC000415440794 532845594 /nfs/dbraw/zinc/84/55/94/532845594.db2.gz FLBJTONIFDFOFX-MFKMUULPSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415449236 532845792 /nfs/dbraw/zinc/84/57/92/532845792.db2.gz VNIZDHDKBKHAAG-RKDXNWHRSA-N 1 0 390.228 2.252 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)C1CC1 ZINC000415446167 532845914 /nfs/dbraw/zinc/84/59/14/532845914.db2.gz FXQOHFHSBKGIQF-LLVKDONJSA-N 1 0 379.766 2.073 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000415445899 532845931 /nfs/dbraw/zinc/84/59/31/532845931.db2.gz IGFCZVOTTHPNLF-WRWORJQWSA-N 1 0 392.656 2.376 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415451585 532845982 /nfs/dbraw/zinc/84/59/82/532845982.db2.gz XNIAGEGKSUMFLU-LBPRGKRZSA-N 1 0 379.258 2.035 20 0 GEADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)Nc1cncc(Br)c1 ZINC000415442839 532846013 /nfs/dbraw/zinc/84/60/13/532846013.db2.gz CRWROADEPYNVBA-UHFFFAOYSA-N 1 0 383.290 2.211 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000415459439 532846485 /nfs/dbraw/zinc/84/64/85/532846485.db2.gz ZKZUDEWYHFEQKQ-NXEZZACHSA-N 1 0 375.803 2.466 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC[C@H]1[NH3+] ZINC000415465577 532846517 /nfs/dbraw/zinc/84/65/17/532846517.db2.gz SBMIZPOYBUCWOF-GXFFZTMASA-N 1 0 391.269 2.132 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415478706 532846770 /nfs/dbraw/zinc/84/67/70/532846770.db2.gz DJQXEAXMMCBUGL-UHFFFAOYSA-N 1 0 383.905 2.184 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415477783 532846979 /nfs/dbraw/zinc/84/69/79/532846979.db2.gz AFMRYOPKHJBCBO-UHFFFAOYSA-N 1 0 378.217 2.300 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415477164 532846833 /nfs/dbraw/zinc/84/68/33/532846833.db2.gz AONVDDAIWMYFKC-UHFFFAOYSA-N 1 0 378.217 2.109 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415482499 532847089 /nfs/dbraw/zinc/84/70/89/532847089.db2.gz KMTZGARTLPRHHN-UHFFFAOYSA-N 1 0 378.217 2.109 20 0 GEADRO C[C@](C[NH3+])(NC(=O)Nc1cc(Br)cnc1-n1cccn1)C1CC1 ZINC000415477633 532847136 /nfs/dbraw/zinc/84/71/36/532847136.db2.gz FHZHJAAWKYLTGH-OAHLLOKOSA-N 1 0 379.262 2.279 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415505376 532848052 /nfs/dbraw/zinc/84/80/52/532848052.db2.gz YOLUJRGKFDNISP-LLVKDONJSA-N 1 0 375.416 2.332 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274338570 532847801 /nfs/dbraw/zinc/84/78/01/532847801.db2.gz AGAJPUDLMDGZGW-SNVBAGLBSA-N 1 0 389.681 2.037 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000415505301 532848031 /nfs/dbraw/zinc/84/80/31/532848031.db2.gz PXKBCEFFAXSOMB-CYBMUJFWSA-N 1 0 386.290 2.228 20 0 GEADRO C[C@@H](NC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1)[C@H](C)[NH3+] ZINC000415507628 532848237 /nfs/dbraw/zinc/84/82/37/532848237.db2.gz WEQDHPGYOSYXJT-NKWVEPMBSA-N 1 0 388.266 2.964 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415517483 532848283 /nfs/dbraw/zinc/84/82/83/532848283.db2.gz JTPLGAZLSDISPT-UHFFFAOYSA-N 1 0 379.258 2.052 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415515866 532848292 /nfs/dbraw/zinc/84/82/92/532848292.db2.gz DMSCWUMFLROGLL-UHFFFAOYSA-N 1 0 397.317 2.104 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415507630 532848398 /nfs/dbraw/zinc/84/83/98/532848398.db2.gz WEQDHPGYOSYXJT-RNFRBKRXSA-N 1 0 388.266 2.964 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415517894 532848503 /nfs/dbraw/zinc/84/85/03/532848503.db2.gz LSAWTVZCCYRWTM-AWEZNQCLSA-N 1 0 395.301 2.082 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000289154123 532849098 /nfs/dbraw/zinc/84/90/98/532849098.db2.gz RVMQHNXWEWVDDS-YPMHNXCESA-N 1 0 395.301 2.176 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000415534407 532849265 /nfs/dbraw/zinc/84/92/65/532849265.db2.gz BFFLLHWAIGRLMF-CQSZACIVSA-N 1 0 384.274 2.028 20 0 GEADRO CCCc1c(C(=O)N[C@H](C)C[NH3+])nnn1Cc1cccc(Br)c1 ZINC000274406035 532849284 /nfs/dbraw/zinc/84/92/84/532849284.db2.gz HTIMYVUPPKRAPA-LLVKDONJSA-N 1 0 380.290 2.118 20 0 GEADRO CCOc1ccc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000415538177 532849368 /nfs/dbraw/zinc/84/93/68/532849368.db2.gz RCWMTULWHCXLRN-AWEZNQCLSA-N 1 0 397.317 2.359 20 0 GEADRO O=C(Nc1c(F)cc(F)cc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415546265 532849383 /nfs/dbraw/zinc/84/93/83/532849383.db2.gz AHQCVCBLQVMSOM-LLVKDONJSA-N 1 0 389.244 2.239 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)[C@@H](C)C[NH2+]1 ZINC000415553575 532849806 /nfs/dbraw/zinc/84/98/06/532849806.db2.gz GNKQQLZPKVRQIX-QWRGUYRKSA-N 1 0 391.269 2.145 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000274419853 532849860 /nfs/dbraw/zinc/84/98/60/532849860.db2.gz HXDCXODTWWQECO-UHFFFAOYSA-N 1 0 387.933 2.209 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)[C@@H](C)C[NH2+]1 ZINC000415556302 532850008 /nfs/dbraw/zinc/85/00/08/532850008.db2.gz IDTFMMBEMVOEJN-UWVGGRQHSA-N 1 0 375.803 2.131 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415562743 532850277 /nfs/dbraw/zinc/85/02/77/532850277.db2.gz QDBVLEBOHMJTBW-UHFFFAOYSA-N 1 0 398.301 2.292 20 0 GEADRO O=C(CCSc1ccccc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289236109 532850376 /nfs/dbraw/zinc/85/03/76/532850376.db2.gz MLKBLQYKVXQMON-AWEZNQCLSA-N 1 0 398.370 2.437 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)[C@@H](C)C[NH2+]1 ZINC000415571268 532850386 /nfs/dbraw/zinc/85/03/86/532850386.db2.gz RGVICGUMYIEQIG-MNOVXSKESA-N 1 0 391.269 2.145 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415575885 532851042 /nfs/dbraw/zinc/85/10/42/532851042.db2.gz XJMXGVFQXXLADV-UHFFFAOYSA-N 1 0 382.180 2.262 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000415572241 532850914 /nfs/dbraw/zinc/85/09/14/532850914.db2.gz NWJNUPSUAGAGAN-SECBINFHSA-N 1 0 379.408 2.013 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1Br ZINC000415614512 532851137 /nfs/dbraw/zinc/85/11/37/532851137.db2.gz OVBJOBZQOSKYJA-WDEREUQCSA-N 1 0 382.258 2.309 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+][C@H](C)[C@H]3C)nc12 ZINC000332281525 532851528 /nfs/dbraw/zinc/85/15/28/532851528.db2.gz IAVGDWJHZQOJHA-VXGBXAGGSA-N 1 0 380.290 2.297 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415633212 532851816 /nfs/dbraw/zinc/85/18/16/532851816.db2.gz PXXBLRZWINXYQG-SECBINFHSA-N 1 0 398.179 2.458 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)C[C@H]21 ZINC000332301564 532851897 /nfs/dbraw/zinc/85/18/97/532851897.db2.gz GAWRLFFTMGAMEH-IRUJWGPZSA-N 1 0 384.249 2.113 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415638747 532851967 /nfs/dbraw/zinc/85/19/67/532851967.db2.gz OSPCWPISPGFYIM-WDEREUQCSA-N 1 0 379.262 2.231 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415656250 532852147 /nfs/dbraw/zinc/85/21/47/532852147.db2.gz LBEVYXUXMHRGDM-MWLCHTKSSA-N 1 0 375.803 2.037 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415639881 532851721 /nfs/dbraw/zinc/85/17/21/532851721.db2.gz DDMCABDFPXPZBS-WDEREUQCSA-N 1 0 391.269 2.322 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415648749 532852283 /nfs/dbraw/zinc/85/22/83/532852283.db2.gz PBMWZTLLFMWJNH-ZJUUUORDSA-N 1 0 375.803 2.309 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332343386 532852311 /nfs/dbraw/zinc/85/23/11/532852311.db2.gz SNYFFGXEJUIQEI-OLZOCXBDSA-N 1 0 380.286 2.072 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000415649345 532852390 /nfs/dbraw/zinc/85/23/90/532852390.db2.gz DGYBOUQHJIVKPC-SECBINFHSA-N 1 0 377.247 2.451 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000332348699 532852482 /nfs/dbraw/zinc/85/24/82/532852482.db2.gz OIQMWXXWKQUUFR-LNSITVRQSA-N 1 0 380.286 2.282 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415665108 532852505 /nfs/dbraw/zinc/85/25/05/532852505.db2.gz ZVAHJTNXMHDBCY-NWDGAFQWSA-N 1 0 384.274 2.172 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415665107 532852729 /nfs/dbraw/zinc/85/27/29/532852729.db2.gz ZVAHJTNXMHDBCY-NEPJUHHUSA-N 1 0 384.274 2.172 20 0 GEADRO Cn1cc(Br)cc1C[N@H+](C)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289356626 532852908 /nfs/dbraw/zinc/85/29/08/532852908.db2.gz MFBHUIPPSXXBKG-MRXNPFEDSA-N 1 0 390.322 2.495 20 0 GEADRO Cc1cc(I)cc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000332357499 532852939 /nfs/dbraw/zinc/85/29/39/532852939.db2.gz WUJVZOJGRMZJCY-ZDUSSCGKSA-N 1 0 389.237 2.181 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000415679185 532853473 /nfs/dbraw/zinc/85/34/73/532853473.db2.gz RPTKBFVHPKUMDO-ZDUSSCGKSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000332373806 532853537 /nfs/dbraw/zinc/85/35/37/532853537.db2.gz YYCJQEFNTLHHJS-JQWIXIFHSA-N 1 0 398.276 2.063 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1Br ZINC000415692155 532853568 /nfs/dbraw/zinc/85/35/68/532853568.db2.gz RBWMMTNNHVYIFQ-GFCCVEGCSA-N 1 0 398.301 2.374 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415704443 532854167 /nfs/dbraw/zinc/85/41/67/532854167.db2.gz HSJFJQYVBUHFDF-UHFFFAOYSA-N 1 0 379.661 2.268 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415701858 532853964 /nfs/dbraw/zinc/85/39/64/532853964.db2.gz CIDQSLIFGFDPFQ-VIFPVBQESA-N 1 0 379.661 2.267 20 0 GEADRO Ic1cnc(CN2CCC[C@H](C3OCCO3)C2)s1 ZINC000289418082 532854230 /nfs/dbraw/zinc/85/42/30/532854230.db2.gz UKLWWYVMBMIYMM-VIFPVBQESA-N 1 0 380.251 2.333 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1nc2c(cccc2Br)s1 ZINC000415702317 532854268 /nfs/dbraw/zinc/85/42/68/532854268.db2.gz DFXSDKWPVJOOPU-UHFFFAOYSA-N 1 0 398.330 2.476 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C[C@H](C)[N@H+]1C ZINC000332426400 532855319 /nfs/dbraw/zinc/85/53/19/532855319.db2.gz FJPYGMWGXLUIKQ-TXEJJXNPSA-N 1 0 398.301 2.454 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)CCO1 ZINC000274736280 532855155 /nfs/dbraw/zinc/85/51/55/532855155.db2.gz DKOSBXQZXOHINA-CQSZACIVSA-N 1 0 392.253 2.436 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415747510 532855570 /nfs/dbraw/zinc/85/55/70/532855570.db2.gz WSPXLBYNXAAGOX-MRVPVSSYSA-N 1 0 378.217 2.300 20 0 GEADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415755618 532855940 /nfs/dbraw/zinc/85/59/40/532855940.db2.gz KAWMBYWLUROWSL-ZDUSSCGKSA-N 1 0 378.274 2.897 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)CCC[NH3+])cc1Cl ZINC000415755970 532855999 /nfs/dbraw/zinc/85/59/99/532855999.db2.gz CSRJJNXEFUJUBK-SNVBAGLBSA-N 1 0 392.283 2.201 20 0 GEADRO O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415760535 532856019 /nfs/dbraw/zinc/85/60/19/532856019.db2.gz LWQWGDJMOMLRFN-GDGBQDQQSA-N 1 0 393.818 2.267 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(COc3cccc(Br)c3)o2)CCO1 ZINC000274807468 532856580 /nfs/dbraw/zinc/85/65/80/532856580.db2.gz QFDYHMZLIAFHMK-HNNXBMFYSA-N 1 0 395.253 2.421 20 0 GEADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000332489496 532856197 /nfs/dbraw/zinc/85/61/97/532856197.db2.gz OIYWPKLGXVAEIN-VHWKEVPUSA-N 1 0 394.313 2.108 20 0 GEADRO Brc1ccn2cc(C[NH2+]C[C@@H]3COC4(CCOCC4)O3)nc2c1 ZINC000289484530 532856226 /nfs/dbraw/zinc/85/62/26/532856226.db2.gz KIEVSSNJDLNSRZ-CQSZACIVSA-N 1 0 382.258 2.109 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415763160 532856367 /nfs/dbraw/zinc/85/63/67/532856367.db2.gz NRDXIEXSVFVVGL-ZDUSSCGKSA-N 1 0 380.286 2.236 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415762016 532856382 /nfs/dbraw/zinc/85/63/82/532856382.db2.gz VIBFTWJMSIINEZ-NWDGAFQWSA-N 1 0 378.274 2.849 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2s1 ZINC000415765968 532856480 /nfs/dbraw/zinc/85/64/80/532856480.db2.gz LCTUKMDAHIEABN-CMPLNLGQSA-N 1 0 378.885 2.407 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289493179 532856697 /nfs/dbraw/zinc/85/66/97/532856697.db2.gz ADHAVNOIKXLWKS-OHVOQOPOSA-N 1 0 393.281 2.301 20 0 GEADRO COc1cc(I)ccc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000415774118 532856776 /nfs/dbraw/zinc/85/67/76/532856776.db2.gz OYDGDISPFFYFDZ-UHFFFAOYSA-N 1 0 375.210 2.253 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000415789063 532857225 /nfs/dbraw/zinc/85/72/25/532857225.db2.gz SEVOYCMOCVBYKY-VIFPVBQESA-N 1 0 381.782 2.463 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332591828 532857228 /nfs/dbraw/zinc/85/72/28/532857228.db2.gz MBOVZVDUHRZCCV-VHSXEESVSA-N 1 0 386.677 2.109 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)C(F)F ZINC000415787831 532857300 /nfs/dbraw/zinc/85/73/00/532857300.db2.gz LLSNJHOUKXBYKT-SECBINFHSA-N 1 0 384.608 2.140 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000274837794 532857534 /nfs/dbraw/zinc/85/75/34/532857534.db2.gz RPXXPMKRAZWZRJ-KBPBESRZSA-N 1 0 375.947 2.244 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H]1[NH+]1CCCC1 ZINC000274846307 532857709 /nfs/dbraw/zinc/85/77/09/532857709.db2.gz SVYSDWZBSGAFBL-ZIAGYGMSSA-N 1 0 375.947 2.076 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000415792518 532857799 /nfs/dbraw/zinc/85/77/99/532857799.db2.gz SDHJRILYGFOBOY-FOCQTFQBSA-N 1 0 384.249 2.159 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)c1Br ZINC000415799967 532857824 /nfs/dbraw/zinc/85/78/24/532857824.db2.gz DEZYOERFQPCXBM-LLVKDONJSA-N 1 0 386.265 2.484 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000415795427 532857851 /nfs/dbraw/zinc/85/78/51/532857851.db2.gz XPDHHYVDIQCEGR-LLVKDONJSA-N 1 0 379.511 2.098 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)C3CC([NH3+])C3)cc2)n1 ZINC000415793225 532857656 /nfs/dbraw/zinc/85/76/56/532857656.db2.gz SWVRRIWXTJQLRE-UHFFFAOYSA-N 1 0 376.507 2.489 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415802504 532858197 /nfs/dbraw/zinc/85/81/97/532858197.db2.gz ICYFKXLLDVTPFF-JTQLQIEISA-N 1 0 390.228 2.314 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415808246 532858228 /nfs/dbraw/zinc/85/82/28/532858228.db2.gz NXGIXNZBQHPKQL-BQBZGAKWSA-N 1 0 382.180 2.258 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415804472 532858235 /nfs/dbraw/zinc/85/82/35/532858235.db2.gz IDAXRMSGXJLRML-YPMHNXCESA-N 1 0 398.301 2.420 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NCc1nc2ccccn2c1Br ZINC000289556984 532858819 /nfs/dbraw/zinc/85/88/19/532858819.db2.gz GOLHDHFAMTYCNT-CQSZACIVSA-N 1 0 380.334 2.212 20 0 GEADRO COc1c(Br)cccc1C[N@@H+]1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289550395 532858583 /nfs/dbraw/zinc/85/85/83/532858583.db2.gz IMKKYZGFLRPBFT-YVEFUNNKSA-N 1 0 396.285 2.410 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1Br ZINC000415829875 532859162 /nfs/dbraw/zinc/85/91/62/532859162.db2.gz FRWUHJNZIUFIMO-SECBINFHSA-N 1 0 382.180 2.092 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)C(F)(F)F ZINC000415837694 532859657 /nfs/dbraw/zinc/85/96/57/532859657.db2.gz NLWYKMHADZWLFK-VIFPVBQESA-N 1 0 389.708 2.276 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)C[C@H]1[NH3+] ZINC000415839528 532859884 /nfs/dbraw/zinc/85/98/84/532859884.db2.gz MKBXOCGTWCERTD-GMSGAONNSA-N 1 0 394.191 2.212 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@H]1C[NH3+] ZINC000415835502 532859894 /nfs/dbraw/zinc/85/98/94/532859894.db2.gz BHYAACCFZPZBOD-NXEZZACHSA-N 1 0 375.803 2.323 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C[C@H]1C[NH3+] ZINC000415845500 532860043 /nfs/dbraw/zinc/86/00/43/532860043.db2.gz JYGRQJRZHYAXKN-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415846499 532860118 /nfs/dbraw/zinc/86/01/18/532860118.db2.gz VTOWBZXCAKEKEC-ZYHUDNBSSA-N 1 0 384.274 2.030 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000415845628 532860288 /nfs/dbraw/zinc/86/02/88/532860288.db2.gz WHUBZDNHIJTYFM-ANRSDYALSA-N 1 0 390.228 2.109 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415855716 532860528 /nfs/dbraw/zinc/86/05/28/532860528.db2.gz YVDRKSPKHXBNJF-WCQYABFASA-N 1 0 382.302 2.393 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(Br)c1 ZINC000289605591 532860537 /nfs/dbraw/zinc/86/05/37/532860537.db2.gz KZSJDLLAQFAHFX-YVEFUNNKSA-N 1 0 396.285 2.410 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415842590 532860363 /nfs/dbraw/zinc/86/03/63/532860363.db2.gz XGFUUILLNYCESQ-WPRPVWTQSA-N 1 0 379.766 2.421 20 0 GEADRO O=C(C[NH2+][C@@H](CO)C1CCCC1)Nc1ccccc1I ZINC000289611257 532860404 /nfs/dbraw/zinc/86/04/04/532860404.db2.gz SDIQDLCPUGJLMO-AWEZNQCLSA-N 1 0 388.249 2.370 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415864568 532861057 /nfs/dbraw/zinc/86/10/57/532861057.db2.gz CRJUGAACIMGHHS-JFGNBEQYSA-N 1 0 384.249 2.031 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000289628422 532861238 /nfs/dbraw/zinc/86/12/38/532861238.db2.gz PGOSQMBCIMJPEY-AWEZNQCLSA-N 1 0 389.949 2.245 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415864619 532861105 /nfs/dbraw/zinc/86/11/05/532861105.db2.gz AASPEONQMOEKPL-UWVGGRQHSA-N 1 0 386.677 2.109 20 0 GEADRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000289625086 532861126 /nfs/dbraw/zinc/86/11/26/532861126.db2.gz GYKVSJMMRLTCBH-ZDUSSCGKSA-N 1 0 383.334 2.485 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Br ZINC000289635010 532861563 /nfs/dbraw/zinc/86/15/63/532861563.db2.gz MEFWMNHYUNUTKO-SJKOYZFVSA-N 1 0 396.285 2.410 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415876854 532861616 /nfs/dbraw/zinc/86/16/16/532861616.db2.gz JDNJZUKUXGMKJL-SGMGOOAPSA-N 1 0 380.286 2.200 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)NCCc1cc(Cl)ccc1Br ZINC000289640304 532861663 /nfs/dbraw/zinc/86/16/63/532861663.db2.gz BYBOZZLBFNBHSB-LBPRGKRZSA-N 1 0 377.666 2.042 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415878666 532861659 /nfs/dbraw/zinc/86/16/59/532861659.db2.gz NQHWRMRXILDQLR-GRYCIOLGSA-N 1 0 398.276 2.339 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415871532 532861738 /nfs/dbraw/zinc/86/17/38/532861738.db2.gz PATIRLIMXNOJHF-OUAUKWLOSA-N 1 0 384.249 2.031 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415870697 532861444 /nfs/dbraw/zinc/86/14/44/532861444.db2.gz GCUANRIWPVXWIM-SGMGOOAPSA-N 1 0 380.286 2.200 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000275039409 532862058 /nfs/dbraw/zinc/86/20/58/532862058.db2.gz QXSXNTGHTTVVFJ-UHFFFAOYSA-N 1 0 398.320 2.371 20 0 GEADRO C[N@H+](CC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCSC1 ZINC000332832562 532861784 /nfs/dbraw/zinc/86/17/84/532861784.db2.gz SYSCYPFDCXLUIP-DOMZBBRYSA-N 1 0 385.892 2.138 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)C(F)(F)F ZINC000415998897 532862299 /nfs/dbraw/zinc/86/22/99/532862299.db2.gz VGAHCEOSBNEKBZ-SNVBAGLBSA-N 1 0 398.179 2.257 20 0 GEADRO CCN(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H](C)CS(C)(=O)=O ZINC000415975349 532862688 /nfs/dbraw/zinc/86/26/88/532862688.db2.gz TVKJHTRQUZOQAU-JTQLQIEISA-N 1 0 381.420 2.451 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2)C(F)(F)F ZINC000415998806 532862713 /nfs/dbraw/zinc/86/27/13/532862713.db2.gz UZYJMDCQRABBMR-LBPRGKRZSA-N 1 0 381.782 2.233 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2csc3ccc(Cl)cc32)CC1 ZINC000333043368 532862879 /nfs/dbraw/zinc/86/28/79/532862879.db2.gz OYCWWQLKUKOILR-UHFFFAOYSA-N 1 0 387.958 2.471 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)C(F)(F)F ZINC000415998887 532862533 /nfs/dbraw/zinc/86/25/33/532862533.db2.gz VGAHCEOSBNEKBZ-JTQLQIEISA-N 1 0 398.179 2.257 20 0 GEADRO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289671447 532862970 /nfs/dbraw/zinc/86/29/70/532862970.db2.gz NPARPDKTSXQLPM-CXAGYDPISA-N 1 0 396.285 2.410 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)c1nccs1 ZINC000289712923 532863896 /nfs/dbraw/zinc/86/38/96/532863896.db2.gz OCKOAEPGQDTUCD-CYBMUJFWSA-N 1 0 380.539 2.015 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)C(F)(F)F ZINC000416046403 532863537 /nfs/dbraw/zinc/86/35/37/532863537.db2.gz OCZZOOIQIWJFJK-WDEREUQCSA-N 1 0 384.196 2.061 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000333147428 532864597 /nfs/dbraw/zinc/86/45/97/532864597.db2.gz KHVDNVUOFKNQBN-JSGCOSHPSA-N 1 0 388.917 2.462 20 0 GEADRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000275130304 532865987 /nfs/dbraw/zinc/86/59/87/532865987.db2.gz RSSVRPPOMWYBDK-GWCFXTLKSA-N 1 0 395.219 2.483 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)CCSC1 ZINC000275146621 532866492 /nfs/dbraw/zinc/86/64/92/532866492.db2.gz MXPRUIRJGRHZOF-GDBMZVCRSA-N 1 0 376.444 2.162 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333342806 532866955 /nfs/dbraw/zinc/86/69/55/532866955.db2.gz PZHHBECFKUOCFT-CHWSQXEVSA-N 1 0 390.285 2.708 20 0 GEADRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000289879543 532867224 /nfs/dbraw/zinc/86/72/24/532867224.db2.gz WBPJRJUEOBBMCM-YVEFUNNKSA-N 1 0 396.285 2.410 20 0 GEADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000275187720 532867905 /nfs/dbraw/zinc/86/79/05/532867905.db2.gz CIMSPFKXVDKESP-VBNZEHGJSA-N 1 0 385.555 2.315 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4ccc(Br)cc4c3O)[C@H]2C1 ZINC000333354819 532867585 /nfs/dbraw/zinc/86/75/85/532867585.db2.gz SGNURMVYWWRHIL-ZBEGNZNMSA-N 1 0 390.281 2.457 20 0 GEADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289922806 532868315 /nfs/dbraw/zinc/86/83/15/532868315.db2.gz VGLDZIKLIXCNKM-NEPJUHHUSA-N 1 0 393.260 2.455 20 0 GEADRO O=C(Cc1cc(Cl)c(Br)cc1F)NCC[NH+]1CCC(O)CC1 ZINC000416241599 532868434 /nfs/dbraw/zinc/86/84/34/532868434.db2.gz DJGMFCIAUVQLHP-UHFFFAOYSA-N 1 0 393.684 2.357 20 0 GEADRO CN1CCN(C(=O)C2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000289956254 532868985 /nfs/dbraw/zinc/86/89/85/532868985.db2.gz YEBPSZILKCSNKD-UHFFFAOYSA-N 1 0 380.330 2.435 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000333476835 532869164 /nfs/dbraw/zinc/86/91/64/532869164.db2.gz FBCYYOKCSZWPIX-MRXNPFEDSA-N 1 0 382.302 2.327 20 0 GEADRO Cc1ccc(OCCC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000416286003 532869569 /nfs/dbraw/zinc/86/95/69/532869569.db2.gz AKGUQZJWGBSXQT-LSDHHAIUSA-N 1 0 399.329 2.440 20 0 GEADRO C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(Br)cn1 ZINC000333553650 532871152 /nfs/dbraw/zinc/87/11/52/532871152.db2.gz KNKHRYNZTNQJOU-PEYYIBSZSA-N 1 0 397.317 2.443 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416318919 532871006 /nfs/dbraw/zinc/87/10/06/532871006.db2.gz YCONNKMJRPDLTM-KGLIPLIRSA-N 1 0 399.329 2.304 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000333565921 532871051 /nfs/dbraw/zinc/87/10/51/532871051.db2.gz LWPQUTFMOCGTLD-IINYFYTJSA-N 1 0 386.265 2.253 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333692390 532871811 /nfs/dbraw/zinc/87/18/11/532871811.db2.gz CQHFBJBJAONPTN-GPCCPHFNSA-N 1 0 384.249 2.273 20 0 GEADRO O=C(c1ccc(F)c(Br)c1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333727196 532872666 /nfs/dbraw/zinc/87/26/66/532872666.db2.gz JERORLLSRPHJTE-CYBMUJFWSA-N 1 0 398.276 2.015 20 0 GEADRO C[C@@H]1OCC[C@@]12CN(C(=O)Nc1cc(N(C)C)c(Br)cn1)CCO2 ZINC000333693825 532872191 /nfs/dbraw/zinc/87/21/91/532872191.db2.gz QSPBSLWNQGCZQY-MEDUHNTESA-N 1 0 399.289 2.322 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000333737649 532873048 /nfs/dbraw/zinc/87/30/48/532873048.db2.gz XCQFISOKVWUYOC-WMLDXEAASA-N 1 0 381.523 2.203 20 0 GEADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333785987 532873320 /nfs/dbraw/zinc/87/33/20/532873320.db2.gz LRLYFMNWFFPFNX-BBRMVZONSA-N 1 0 384.249 2.417 20 0 GEADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000416376427 532873117 /nfs/dbraw/zinc/87/31/17/532873117.db2.gz OYSBBPYXDXATST-UHFFFAOYSA-N 1 0 376.906 2.462 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1Cl ZINC000416374993 532873219 /nfs/dbraw/zinc/87/32/19/532873219.db2.gz RBDHFJSCTKGOLM-UHFFFAOYSA-N 1 0 376.906 2.367 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000290149758 532874077 /nfs/dbraw/zinc/87/40/77/532874077.db2.gz OIMGHXJTQFTHGS-UHFFFAOYSA-N 1 0 386.338 2.005 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000416390103 532875103 /nfs/dbraw/zinc/87/51/03/532875103.db2.gz MNBYDIHJRUKYGD-ZDUSSCGKSA-N 1 0 386.901 2.376 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000416394993 532875606 /nfs/dbraw/zinc/87/56/06/532875606.db2.gz YCYYYIRJLURHSC-CYBMUJFWSA-N 1 0 386.901 2.376 20 0 GEADRO CC(C)(CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1cccc(Br)c1 ZINC000333942815 532876176 /nfs/dbraw/zinc/87/61/76/532876176.db2.gz QIPZDVMYTCQVLB-UHFFFAOYSA-N 1 0 382.302 2.111 20 0 GEADRO C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[S@@](=O)C1 ZINC000333989823 532876933 /nfs/dbraw/zinc/87/69/33/532876933.db2.gz JEBODKCKXDHDHN-PUAOIOHZSA-N 1 0 387.615 2.148 20 0 GEADRO COc1c(O)cccc1C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000290339899 532878456 /nfs/dbraw/zinc/87/84/56/532878456.db2.gz FIBNRDRXXXAIHL-CQSZACIVSA-N 1 0 382.507 2.405 20 0 GEADRO C[NH+](C)C1CCN(CCNCc2nc3ccccn3c2Br)CC1 ZINC000290371618 532879166 /nfs/dbraw/zinc/87/91/66/532879166.db2.gz NJUACTJMFDZAGR-UHFFFAOYSA-N 1 0 380.334 2.212 20 0 GEADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417263526 532879327 /nfs/dbraw/zinc/87/93/27/532879327.db2.gz QCYVPSZYNUEKKF-VBQJREDUSA-N 1 0 393.329 2.279 20 0 GEADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC1CC[NH2+]CC1 ZINC000417263136 532879548 /nfs/dbraw/zinc/87/95/48/532879548.db2.gz PDVBUUXWIIGZJH-ZDUSSCGKSA-N 1 0 381.318 2.327 20 0 GEADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419567393 532882100 /nfs/dbraw/zinc/88/21/00/532882100.db2.gz JWMAEBMYCWDKDD-LBPRGKRZSA-N 1 0 384.307 2.467 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000419873986 532883085 /nfs/dbraw/zinc/88/30/85/532883085.db2.gz VOFPMLGUDBIGQJ-BBRMVZONSA-N 1 0 375.519 2.137 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419880818 532883156 /nfs/dbraw/zinc/88/31/56/532883156.db2.gz HMUYOHMRBRQHPS-ZIAGYGMSSA-N 1 0 396.329 2.302 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1Br ZINC000275808527 532883437 /nfs/dbraw/zinc/88/34/37/532883437.db2.gz XZSWXYDFLCRMHP-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420453960 532883546 /nfs/dbraw/zinc/88/35/46/532883546.db2.gz KUMRUUZXWPJOGS-DTWKUNHWSA-N 1 0 381.267 2.003 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000420451354 532883767 /nfs/dbraw/zinc/88/37/67/532883767.db2.gz QDPHXMYQTRUVBR-GFCCVEGCSA-N 1 0 377.304 2.036 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000418415438 532880618 /nfs/dbraw/zinc/88/06/18/532880618.db2.gz UKZWACKNTPZDPN-AWEZNQCLSA-N 1 0 387.311 2.444 20 0 GEADRO CC(C)([NH3+])CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418410414 532880689 /nfs/dbraw/zinc/88/06/89/532880689.db2.gz CBBWDNRGCVOPQE-UHFFFAOYSA-N 1 0 375.336 2.075 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NC[C@H]([NH3+])C(C)C)cc1Br ZINC000418419560 532880877 /nfs/dbraw/zinc/88/08/77/532880877.db2.gz ZDNFSPBYHMDPLL-HOCLYGCPSA-N 1 0 386.334 2.191 20 0 GEADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1O ZINC000290456231 532881196 /nfs/dbraw/zinc/88/11/96/532881196.db2.gz MRKBYUAZZFNIQE-JTQLQIEISA-N 1 0 378.288 2.078 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418466519 532881303 /nfs/dbraw/zinc/88/13/03/532881303.db2.gz HKNYYOVFDLAVHN-LBPRGKRZSA-N 1 0 384.278 2.045 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000290681041 532886853 /nfs/dbraw/zinc/88/68/53/532886853.db2.gz HDYSPGMXEOQPML-ZDUSSCGKSA-N 1 0 398.301 2.134 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Cl)ncc1Br ZINC000290572196 532884096 /nfs/dbraw/zinc/88/40/96/532884096.db2.gz GQZGSZFGXIINHQ-UHFFFAOYSA-N 1 0 377.714 2.111 20 0 GEADRO COc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(OC)c1Br ZINC000360280888 532889537 /nfs/dbraw/zinc/88/95/37/532889537.db2.gz YETCXOUMFTZYQK-OLZOCXBDSA-N 1 0 399.285 2.059 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421305188 532889849 /nfs/dbraw/zinc/88/98/49/532889849.db2.gz UXDDCUIJEQGGTQ-GFCCVEGCSA-N 1 0 398.301 2.257 20 0 GEADRO Cn1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc(Br)c1=O ZINC000360697122 532890266 /nfs/dbraw/zinc/89/02/66/532890266.db2.gz GIRDHICNTQPPSU-CYBMUJFWSA-N 1 0 383.290 2.240 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000421165444 532889141 /nfs/dbraw/zinc/88/91/41/532889141.db2.gz MSVOTRNPNMYEAZ-UHFFFAOYSA-N 1 0 394.313 2.117 20 0 GEADRO Cc1n[nH]c(CC[NH2+]Cc2c(Br)cncc2Br)n1 ZINC000290867966 532890835 /nfs/dbraw/zinc/89/08/35/532890835.db2.gz LAZADCVJXUFFDL-UHFFFAOYSA-N 1 0 375.068 2.365 20 0 GEADRO FC(F)COCC[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000276208417 532891312 /nfs/dbraw/zinc/89/13/12/532891312.db2.gz JWUJGCWNWFICAF-UHFFFAOYSA-N 1 0 378.847 2.422 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000360942304 532891597 /nfs/dbraw/zinc/89/15/97/532891597.db2.gz PQRFKCNTCYXHEZ-NUTKFTJISA-N 1 0 382.913 2.300 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000360942302 532891726 /nfs/dbraw/zinc/89/17/26/532891726.db2.gz PQRFKCNTCYXHEZ-MJEQTWJJSA-N 1 0 382.913 2.300 20 0 GEADRO O[C@@H](CNCc1c(Br)cncc1Br)C[NH+]1CCCC1 ZINC000290906768 532892167 /nfs/dbraw/zinc/89/21/67/532892167.db2.gz OPIQRSLNKCTMIG-JTQLQIEISA-N 1 0 393.123 2.153 20 0 GEADRO C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000421849110 532890574 /nfs/dbraw/zinc/89/05/74/532890574.db2.gz BIAQLFNNMRHLAE-NSHDSACASA-N 1 0 391.331 2.442 20 0 GEADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423091131 532893614 /nfs/dbraw/zinc/89/36/14/532893614.db2.gz WSRQJRKUKOGLLP-AAEUAGOBSA-N 1 0 388.295 2.089 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)NCc2ccc(Br)cc2Cl)nn1 ZINC000423086598 532893720 /nfs/dbraw/zinc/89/37/20/532893720.db2.gz NOIPPULGGNLPHE-UHFFFAOYSA-N 1 0 386.681 2.363 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000290970703 532893913 /nfs/dbraw/zinc/89/39/13/532893913.db2.gz TUIGNUDZZMTUDU-LLVKDONJSA-N 1 0 391.331 2.311 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000423102218 532894063 /nfs/dbraw/zinc/89/40/63/532894063.db2.gz DQFRLQSVAPLDLU-CABCVRRESA-N 1 0 380.286 2.062 20 0 GEADRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1c(Br)cncc1Br ZINC000290997270 532894103 /nfs/dbraw/zinc/89/41/03/532894103.db2.gz AMDLYGMXRVLAGD-QPUJVOFHSA-N 1 0 380.080 2.236 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)C1 ZINC000423098487 532894155 /nfs/dbraw/zinc/89/41/55/532894155.db2.gz CWSQOPYSMXYTEH-BXUZGUMPSA-N 1 0 378.274 2.416 20 0 GEADRO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000361956746 532894436 /nfs/dbraw/zinc/89/44/36/532894436.db2.gz MQTGWUYYVCLTSP-HOTGVXAUSA-N 1 0 393.285 2.110 20 0 GEADRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1c(Br)cncc1Br ZINC000290997266 532894488 /nfs/dbraw/zinc/89/44/88/532894488.db2.gz AMDLYGMXRVLAGD-PELKAZGASA-N 1 0 380.080 2.236 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)CSCc2ccc(Br)cc2F)CCCO1 ZINC000424026487 532894511 /nfs/dbraw/zinc/89/45/11/532894511.db2.gz UYINHIOLAOWRBL-CYBMUJFWSA-N 1 0 391.306 2.398 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000424048811 532894999 /nfs/dbraw/zinc/89/49/99/532894999.db2.gz SFJLJURGKNNFHU-UHFFFAOYSA-N 1 0 391.331 2.247 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(Br)cc2Cl)CCCO1 ZINC000424019321 532894635 /nfs/dbraw/zinc/89/46/35/532894635.db2.gz KAOYALBMSJNKRB-NSHDSACASA-N 1 0 377.666 2.058 20 0 GEADRO C[C@@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000424018691 532894637 /nfs/dbraw/zinc/89/46/37/532894637.db2.gz QNOQIFIRKQBANH-CHWSQXEVSA-N 1 0 397.317 2.404 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424031406 532894717 /nfs/dbraw/zinc/89/47/17/532894717.db2.gz ZYURCDSIEKTETG-CZUORRHYSA-N 1 0 385.302 2.429 20 0 GEADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424021667 532894810 /nfs/dbraw/zinc/89/48/10/532894810.db2.gz NXSKRMBQNOKJDC-NVXWUHKLSA-N 1 0 399.329 2.221 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000423058961 532892834 /nfs/dbraw/zinc/89/28/34/532892834.db2.gz DMVVKEFPWBKAEA-AWEZNQCLSA-N 1 0 382.302 2.073 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423053624 532893006 /nfs/dbraw/zinc/89/30/06/532893006.db2.gz SCGKZEVLRZWKRT-LBPRGKRZSA-N 1 0 380.290 2.141 20 0 GEADRO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361311976 532893056 /nfs/dbraw/zinc/89/30/56/532893056.db2.gz ZBMTWIOVPVEYOF-OLZOCXBDSA-N 1 0 375.416 2.172 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000424061136 532895130 /nfs/dbraw/zinc/89/51/30/532895130.db2.gz RDMQWRRARCAXQP-SNVBAGLBSA-N 1 0 391.693 2.182 20 0 GEADRO C[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000424051413 532895240 /nfs/dbraw/zinc/89/52/40/532895240.db2.gz JNHUPIJMTOTWEG-YRGRVCCFSA-N 1 0 382.302 2.011 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC[N@@H+]1C ZINC000291037281 532895405 /nfs/dbraw/zinc/89/54/05/532895405.db2.gz GTKTXESCYRYXIZ-ABHRYQDASA-N 1 0 385.555 2.479 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)C2)CC1 ZINC000276409835 532895572 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Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C(N)=O)cs3)[C@H](C)C2)s1 ZINC000363550356 532899436 /nfs/dbraw/zinc/89/94/36/532899436.db2.gz AHSHQGXLAGWHEK-QMTHXVAHSA-N 1 0 378.523 2.252 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000291277078 532899567 /nfs/dbraw/zinc/89/95/67/532899567.db2.gz HUAANQJQXOAQNS-VXGBXAGGSA-N 1 0 383.290 2.080 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cc(Cl)ncc2Br)CCOCC1 ZINC000291296083 532899819 /nfs/dbraw/zinc/89/98/19/532899819.db2.gz MSZXYAXGYAIBHY-UHFFFAOYSA-N 1 0 376.682 2.338 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCc1cccc(Br)c1 ZINC000291333491 532900022 /nfs/dbraw/zinc/90/00/22/532900022.db2.gz VZXRWCRVPYVYJM-HNNXBMFYSA-N 1 0 397.361 2.269 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000291205816 532898507 /nfs/dbraw/zinc/89/85/07/532898507.db2.gz AXPLSGFEJXFIAS-CYBMUJFWSA-N 1 0 395.301 2.035 20 0 GEADRO CN(C1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000291227525 532898680 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GEADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000364682087 532907806 /nfs/dbraw/zinc/90/78/06/532907806.db2.gz MPXLDNNADVTMPU-CVEARBPZSA-N 1 0 395.301 2.335 20 0 GEADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000364682088 532907911 /nfs/dbraw/zinc/90/79/11/532907911.db2.gz MPXLDNNADVTMPU-HOTGVXAUSA-N 1 0 395.301 2.335 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000277004870 532905716 /nfs/dbraw/zinc/90/57/16/532905716.db2.gz OXTWREYPXBSRMY-HZMBPMFUSA-N 1 0 386.279 2.493 20 0 GEADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3cccc(Br)n3)CCC[N@@H+]2C)cn1 ZINC000364310308 532905751 /nfs/dbraw/zinc/90/57/51/532905751.db2.gz XYJKGTPHEZOLOZ-MLGOLLRUSA-N 1 0 392.301 2.391 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CS(C)(=O)=O)o2)[C@H]1c1cccs1 ZINC000364313294 532905830 /nfs/dbraw/zinc/90/58/30/532905830.db2.gz DAXOTQGIPYLDSY-WBMJQRKESA-N 1 0 382.507 2.309 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277022578 532906172 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GEADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365371827 532910259 /nfs/dbraw/zinc/91/02/59/532910259.db2.gz IMRHPRFONUWAPF-BLLLJJGKSA-N 1 0 375.270 2.459 20 0 GEADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365382119 532910554 /nfs/dbraw/zinc/91/05/54/532910554.db2.gz UCNRDEDWFKQNFM-UHOFOFEASA-N 1 0 392.297 2.012 20 0 GEADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000365408583 532910583 /nfs/dbraw/zinc/91/05/83/532910583.db2.gz XVDZWVKRCCVIGY-LBPRGKRZSA-N 1 0 381.420 2.128 20 0 GEADRO CS[C@@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)C[C@@H]1[NH+](C)C ZINC000291741223 532908085 /nfs/dbraw/zinc/90/80/85/532908085.db2.gz KOUBBAVSVVEHJI-NWDGAFQWSA-N 1 0 385.331 2.234 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000365243207 532909066 /nfs/dbraw/zinc/90/90/66/532909066.db2.gz ASIMTJWKDUXOFV-QWRGUYRKSA-N 1 0 390.242 2.050 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000292039172 532912122 /nfs/dbraw/zinc/91/21/22/532912122.db2.gz HXWLZESBNLTGJB-CQSZACIVSA-N 1 0 387.571 2.099 20 0 GEADRO O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)Nc1ccc(I)cc1 ZINC000365860177 532912514 /nfs/dbraw/zinc/91/25/14/532912514.db2.gz PKIQAAZNTQJZDN-OAHLLOKOSA-N 1 0 386.233 2.077 20 0 GEADRO O=C(CCc1nnc(-c2ccsc2)o1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365870535 532912793 /nfs/dbraw/zinc/91/27/93/532912793.db2.gz QAAHZXXBDOLRJU-AWEZNQCLSA-N 1 0 378.523 2.380 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000291970952 532911486 /nfs/dbraw/zinc/91/14/86/532911486.db2.gz SOVYHUQATWSLMN-IAQYHMDHSA-N 1 0 381.270 2.402 20 0 GEADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000292323917 532915315 /nfs/dbraw/zinc/91/53/15/532915315.db2.gz VZAGHURIJMFQJG-MFKMUULPSA-N 1 0 386.290 2.085 20 0 GEADRO C[C@@H](CNC(=O)c1cc(F)c(F)cc1I)C[NH+](C)C ZINC000292359641 532915436 /nfs/dbraw/zinc/91/54/36/532915436.db2.gz LOTGEVNGVGFHKF-QMMMGPOBSA-N 1 0 382.192 2.497 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366282711 532915882 /nfs/dbraw/zinc/91/58/82/532915882.db2.gz GVXGVUYJCWYSIS-AAEUAGOBSA-N 1 0 380.491 2.060 20 0 GEADRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)C(=O)NC(=O)NCC(F)(F)F ZINC000292123743 532913576 /nfs/dbraw/zinc/91/35/76/532913576.db2.gz RQWLTCRHYPGXBY-AUTRQRHGSA-N 1 0 379.404 2.117 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000365989388 532913693 /nfs/dbraw/zinc/91/36/93/532913693.db2.gz SAACDBDXBDQYQN-CYBMUJFWSA-N 1 0 387.709 2.416 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000292137570 532913845 /nfs/dbraw/zinc/91/38/45/532913845.db2.gz YOVYZLDXWAQENS-OAHLLOKOSA-N 1 0 389.315 2.174 20 0 GEADRO Cn1cc(N2CCC[C@H]([NH2+][C@H](CO)c3ccc(Br)cc3)C2=O)cn1 ZINC000292206694 532913940 /nfs/dbraw/zinc/91/39/40/532913940.db2.gz OCYGLYFTZUQGQO-JKSUJKDBSA-N 1 0 393.285 2.001 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000292210440 532914066 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NS(=O)(=O)CCCCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000293652432 532929833 /nfs/dbraw/zinc/92/98/33/532929833.db2.gz FEBLEYIQWZUPGY-OAHLLOKOSA-N 1 0 387.571 2.240 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]C2CCN([C@H]3CSCCc4ccccc43)CC2)C1 ZINC000368040806 532929877 /nfs/dbraw/zinc/92/98/77/532929877.db2.gz SYJRYBOUCANZMJ-HKUYNNGSSA-N 1 0 380.579 2.258 20 0 GEADRO NS(=O)(=O)CCCCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000293652429 532929870 /nfs/dbraw/zinc/92/98/70/532929870.db2.gz FEBLEYIQWZUPGY-HNNXBMFYSA-N 1 0 387.571 2.240 20 0 GEADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293345331 532925636 /nfs/dbraw/zinc/92/56/36/532925636.db2.gz JQMWXTBRTROUBY-WFASDCNBSA-N 1 0 375.270 2.459 20 0 GEADRO C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000367491484 532925668 /nfs/dbraw/zinc/92/56/68/532925668.db2.gz UUFUMQUYPMMHCX-ABAIWWIYSA-N 1 0 380.286 2.234 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)C2)C1 ZINC000293363157 532925775 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CC(C)C(=O)NCC[N@H+](C)C[C@](C)(O)c1ccc(Br)cc1F ZINC000293727002 532930651 /nfs/dbraw/zinc/93/06/51/532930651.db2.gz GGQNFZBJWRLVTQ-INIZCTEOSA-N 1 0 375.282 2.500 20 0 GEADRO C[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CC[N@@H+](C2CCC2)C1 ZINC000293726175 532930758 /nfs/dbraw/zinc/93/07/58/532930758.db2.gz QACQROFWENBXGM-GFCCVEGCSA-N 1 0 398.301 2.105 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(O)c(OC)cc3Br)[C@H]2C1 ZINC000293761639 532931249 /nfs/dbraw/zinc/93/12/49/532931249.db2.gz XSMFADAMGICQFR-GOEBONIOSA-N 1 0 385.302 2.458 20 0 GEADRO COc1ccc(Br)cc1CC(=O)Nc1ccnn1CC[NH+](C)C ZINC000294109939 532935714 /nfs/dbraw/zinc/93/57/14/532935714.db2.gz OZUJMCLTBJTFHN-UHFFFAOYSA-N 1 0 381.274 2.397 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(F)c(F)cc1I ZINC000368717128 532933754 /nfs/dbraw/zinc/93/37/54/532933754.db2.gz AAYPFTJKCQEHDJ-MRVPVSSYSA-N 1 0 380.176 2.441 20 0 GEADRO CC(C)[C@H](CNC(=O)Nc1ccnc(Br)c1)[NH+]1CCN(C)CC1 ZINC000294162277 532936629 /nfs/dbraw/zinc/93/66/29/532936629.db2.gz IFFBPFVGUUTTCE-AWEZNQCLSA-N 1 0 384.322 2.238 20 0 GEADRO O=C(NCc1ccc(F)cc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369028911 532936661 /nfs/dbraw/zinc/93/66/61/532936661.db2.gz UPSGTWXJMBYJBV-KBPBESRZSA-N 1 0 386.265 2.251 20 0 GEADRO CSc1ccc([C@H](CNC(=O)[C@@H](C)Sc2nncn2C)[NH+](C)C)cc1 ZINC000294200683 532936877 /nfs/dbraw/zinc/93/68/77/532936877.db2.gz CFBODLJIPMUXDI-DOMZBBRYSA-N 1 0 379.555 2.437 20 0 GEADRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1ccc(Br)cc1F)C2 ZINC000369079618 532936890 /nfs/dbraw/zinc/93/68/90/532936890.db2.gz WPUJHTGFNAPRDM-KBPBESRZSA-N 1 0 377.279 2.480 20 0 GEADRO OC1(C[NH+]2CCOCC2)CCN(Cc2cc(F)ccc2Br)CC1 ZINC000369276784 532937670 /nfs/dbraw/zinc/93/76/70/532937670.db2.gz CALNKIQFBIWKGF-UHFFFAOYSA-N 1 0 387.293 2.247 20 0 GEADRO O=C(CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1ccc(Br)cc1 ZINC000369266327 532937725 /nfs/dbraw/zinc/93/77/25/532937725.db2.gz NCOFNYKXRPALRT-IAGOWNOFSA-N 1 0 396.329 2.309 20 0 GEADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000369279765 532937878 /nfs/dbraw/zinc/93/78/78/532937878.db2.gz ZBQPFSDGYARNTB-ZDUSSCGKSA-N 1 0 384.293 2.487 20 0 GEADRO C[C@@]([NH3+])(C(=O)NCCCNC(=O)C1CCC1)c1ccc(Br)cc1 ZINC000294097086 532935885 /nfs/dbraw/zinc/93/58/85/532935885.db2.gz NFOAIOGSPMSTEE-KRWDZBQOSA-N 1 0 382.302 2.046 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000368974373 532936305 /nfs/dbraw/zinc/93/63/05/532936305.db2.gz NQFOGRAEVQLBIW-CQSZACIVSA-N 1 0 381.314 2.396 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cc1Cl ZINC000369537260 532939895 /nfs/dbraw/zinc/93/98/95/532939895.db2.gz OZHZOEPABJZVRE-WBMJQRKESA-N 1 0 386.901 2.279 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)OCC(F)(F)F)[C@@H]1c1cccs1 ZINC000369546843 532939940 /nfs/dbraw/zinc/93/99/40/532939940.db2.gz DDFZXLTZZYMYTM-ZWNOBZJWSA-N 1 0 379.404 2.146 20 0 GEADRO Cc1nc(CN2CCC(CNS(=O)(=O)CC3CCOCC3)CC2)cs1 ZINC000369674448 532940368 /nfs/dbraw/zinc/94/03/68/532940368.db2.gz UHFSOGBCFSXWMY-UHFFFAOYSA-N 1 0 387.571 2.010 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccnc1-n1cc(Br)cn1 ZINC000294410699 532938997 /nfs/dbraw/zinc/93/89/97/532938997.db2.gz IZBQNWVEQWPZHT-LSDHHAIUSA-N 1 0 390.285 2.386 20 0 GEADRO CCS(=O)(=O)C[C@H](C)N(C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369533463 532939858 /nfs/dbraw/zinc/93/98/58/532939858.db2.gz ZNNFUAUJRYCYBM-DZKIICNBSA-N 1 0 387.571 2.206 20 0 GEADRO COC(=O)[C@@H]1C[C@@H](OC)CCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000370342832 532942889 /nfs/dbraw/zinc/94/28/89/532942889.db2.gz LUSSRWZXDQYJDI-YDHLFZDLSA-N 1 0 392.279 2.386 20 0 GEADRO COc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)nc1Br ZINC000370335258 532942933 /nfs/dbraw/zinc/94/29/33/532942933.db2.gz RIHOPCPEFYCKQG-UXIGCNINSA-N 1 0 398.301 2.176 20 0 GEADRO O=C(CN1CC[NH+]([C@H]2CCSC2)CC1)Nc1nc(-c2ccco2)cs1 ZINC000370407018 532943246 /nfs/dbraw/zinc/94/32/46/532943246.db2.gz QTLJWUQLXGLCEK-ZDUSSCGKSA-N 1 0 378.523 2.465 20 0 GEADRO COc1ccc(Br)c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000370488092 532943689 /nfs/dbraw/zinc/94/36/89/532943689.db2.gz RPPOSLAVDOHJCK-ZDUSSCGKSA-N 1 0 383.286 2.441 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cccnc1Br ZINC000370473334 532943700 /nfs/dbraw/zinc/94/37/00/532943700.db2.gz RUXFZGBENLETAQ-UMVBOHGHSA-N 1 0 382.302 2.463 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000369765875 532940945 /nfs/dbraw/zinc/94/09/45/532940945.db2.gz IPWMPHHTXATCCR-GOEBONIOSA-N 1 0 394.313 2.170 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCCC2(CC[NH2+]CC2)C1 ZINC000369918547 532941211 /nfs/dbraw/zinc/94/12/11/532941211.db2.gz IDCCDTALELLQQP-UHFFFAOYSA-N 1 0 378.274 2.098 20 0 GEADRO O=C(CNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)Nc1ccc(Br)cc1 ZINC000369968127 532941593 /nfs/dbraw/zinc/94/15/93/532941593.db2.gz WUHUEHACSWWULY-WFASDCNBSA-N 1 0 380.286 2.378 20 0 GEADRO O=C(C[N@H+]1CC[C@@](O)(C2CC2)C1)Nc1cccc(I)c1 ZINC000370095747 532942189 /nfs/dbraw/zinc/94/21/89/532942189.db2.gz XQIYEPAIMNJFFG-HNNXBMFYSA-N 1 0 386.233 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CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc(Br)ccc2F)C1=O ZINC000371093384 532947001 /nfs/dbraw/zinc/94/70/01/532947001.db2.gz KJZNQJDXBCRPIU-ZBEGNZNMSA-N 1 0 384.249 2.398 20 0 GEADRO O=C(NC[C@@]1(N2CCOCC2)CCCOC1)c1ccccc1Br ZINC000371163844 532947140 /nfs/dbraw/zinc/94/71/40/532947140.db2.gz IGHAYAXPXPKDDO-KRWDZBQOSA-N 1 0 383.286 2.060 20 0 GEADRO O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275920177 570700482 /nfs/dbraw/zinc/70/04/82/570700482.db2.gz JVMGHYBNQLAIDL-RBDMOPTHSA-N 1 0 382.508 2.080 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000738388292 598834011 /nfs/dbraw/zinc/83/40/11/598834011.db2.gz RYWWHJOCPYZMKX-XLIONFOSSA-N 1 0 395.463 2.150 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000735733236 598848115 /nfs/dbraw/zinc/84/81/15/598848115.db2.gz GBCAENDZGXDZAE-QFBILLFUSA-N 1 0 398.511 2.214 20 0 GEADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000736899501 598860601 /nfs/dbraw/zinc/86/06/01/598860601.db2.gz AZFLOJKRNDBORQ-SFHVURJKSA-N 1 0 384.484 2.031 20 0 GEADRO COC(=O)[C@@H](NCCC[N@H+](C)C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736898051 598880515 /nfs/dbraw/zinc/88/05/15/598880515.db2.gz STOLTJZRHICBDF-SFHVURJKSA-N 1 0 386.500 2.325 20 0 GEADRO O[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000738385848 598887720 /nfs/dbraw/zinc/88/77/20/598887720.db2.gz YZMFFPJRTITWSY-HNNXBMFYSA-N 1 0 387.827 2.115 20 0 GEADRO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736771192 598890350 /nfs/dbraw/zinc/89/03/50/598890350.db2.gz JUIMVDGNUCDOCU-UHFFFAOYSA-N 1 0 392.872 2.383 20 0 GEADRO C[N@H+](CCN1CCOCC1)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736800104 598896840 /nfs/dbraw/zinc/89/68/40/598896840.db2.gz ZXXUSVVVUBOHQJ-UHFFFAOYSA-N 1 0 378.480 2.298 20 0 GEADRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736381610 598897358 /nfs/dbraw/zinc/89/73/58/598897358.db2.gz JDZOQCPVGYYTFG-LSDHHAIUSA-N 1 0 378.864 2.084 20 0 GEADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000736997451 598904505 /nfs/dbraw/zinc/90/45/05/598904505.db2.gz OJUOOMZELRYXPO-INIZCTEOSA-N 1 0 386.500 2.106 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)C1 ZINC000736757060 598906333 /nfs/dbraw/zinc/90/63/33/598906333.db2.gz NSJYXLAFZBTHIN-OAHLLOKOSA-N 1 0 397.508 2.441 20 0 GEADRO C[NH+](C)CCCNC(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000736768235 598906521 /nfs/dbraw/zinc/90/65/21/598906521.db2.gz YWEWHQXLTXQQTI-UHFFFAOYSA-N 1 0 385.497 2.346 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736479941 598923353 /nfs/dbraw/zinc/92/33/53/598923353.db2.gz NCIQGLRILHTCKY-UHFFFAOYSA-N 1 0 398.467 2.453 20 0 GEADRO c1csc(C[NH+]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)c1 ZINC000738452297 598935418 /nfs/dbraw/zinc/93/54/18/598935418.db2.gz OENQVXGOAAJUPH-UHFFFAOYSA-N 1 0 378.465 2.194 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc2c(c1)OCO2 ZINC000736130160 598958980 /nfs/dbraw/zinc/95/89/80/598958980.db2.gz GPGQDYRJMAWCHV-WBMJQRKESA-N 1 0 392.419 2.052 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000737032627 598981197 /nfs/dbraw/zinc/98/11/97/598981197.db2.gz JBGHRTHHPVYNIL-OAHLLOKOSA-N 1 0 397.435 2.026 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)c1cccc(OC)c1 ZINC000736535285 598984558 /nfs/dbraw/zinc/98/45/58/598984558.db2.gz WGJSAMHIYKRGJN-SFHVURJKSA-N 1 0 395.467 2.083 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000737031959 598984963 /nfs/dbraw/zinc/98/49/63/598984963.db2.gz GCWYIPKIXNHCEE-UHFFFAOYSA-N 1 0 381.436 2.061 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000737031316 598986092 /nfs/dbraw/zinc/98/60/92/598986092.db2.gz FNGNMKMMVMIYDJ-MRXNPFEDSA-N 1 0 383.456 2.096 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCN(C)c2ccccc2C1 ZINC000737030908 598986166 /nfs/dbraw/zinc/98/61/66/598986166.db2.gz BOJMARGYHDYUQE-UHFFFAOYSA-N 1 0 380.452 2.206 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000737030868 598986255 /nfs/dbraw/zinc/98/62/55/598986255.db2.gz BAOMSDZCLJMVJR-QGZVFWFLSA-N 1 0 386.500 2.204 20 0 GEADRO CC(C)OCCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000735896806 598988578 /nfs/dbraw/zinc/98/85/78/598988578.db2.gz VWHXUJJAYPSQJM-LBPRGKRZSA-N 1 0 392.529 2.491 20 0 GEADRO CCC[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736471848 598989475 /nfs/dbraw/zinc/98/94/75/598989475.db2.gz XHXDESSFYYERHX-QRQLOZEOSA-N 1 0 398.511 2.008 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C=Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000736615848 599017432 /nfs/dbraw/zinc/01/74/32/599017432.db2.gz OSIXFHMDUZVGEN-HBTVWZBFSA-N 1 0 398.511 2.133 20 0 GEADRO C[C@](CO)([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)C1CCCCC1 ZINC000736026205 599019052 /nfs/dbraw/zinc/01/90/52/599019052.db2.gz MRJNPKWYYAASCR-QGZVFWFLSA-N 1 0 378.502 2.178 20 0 GEADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738026803 599020326 /nfs/dbraw/zinc/02/03/26/599020326.db2.gz VHYWHSBFZFNGAG-UHFFFAOYSA-N 1 0 397.870 2.310 20 0 GEADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)C1 ZINC000736263988 599021820 /nfs/dbraw/zinc/02/18/20/599021820.db2.gz AQOHNYVIRDYMQC-HNNXBMFYSA-N 1 0 391.479 2.424 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736849408 599023939 /nfs/dbraw/zinc/02/39/39/599023939.db2.gz TXFDARAIZWMVKK-MRXNPFEDSA-N 1 0 392.463 2.127 20 0 GEADRO COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nn[nH]n4)nc3)CC[N@@H+]2C)cc1 ZINC000737075047 599028194 /nfs/dbraw/zinc/02/81/94/599028194.db2.gz IRNCZTQYNJISNY-YJBOKZPZSA-N 1 0 394.435 2.120 20 0 GEADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000822204714 599051152 /nfs/dbraw/zinc/05/11/52/599051152.db2.gz YINDMQGZUGBFTR-AWEZNQCLSA-N 1 0 397.458 2.021 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000737632023 599054353 /nfs/dbraw/zinc/05/43/53/599054353.db2.gz INCBHRSNAHFXJJ-UHFFFAOYSA-N 1 0 397.405 2.337 20 0 GEADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736237220 599079641 /nfs/dbraw/zinc/07/96/41/599079641.db2.gz VHMWHGBJCMIXQL-LZQZEXGQSA-N 1 0 379.464 2.484 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000736565331 599080667 /nfs/dbraw/zinc/08/06/67/599080667.db2.gz JTLQDYLNOKEZBD-RHSMWYFYSA-N 1 0 388.541 2.289 20 0 GEADRO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735857273 599090925 /nfs/dbraw/zinc/09/09/25/599090925.db2.gz RKJULBLWSJUSBS-LJQANCHMSA-N 1 0 393.495 2.023 20 0 GEADRO Cc1cc(N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)nc(C(C)C)n1 ZINC000737271512 599094526 /nfs/dbraw/zinc/09/45/26/599094526.db2.gz LKFSFOJLHLUSJI-UHFFFAOYSA-N 1 0 378.484 2.411 20 0 GEADRO NC(=O)[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731446 599098024 /nfs/dbraw/zinc/09/80/24/599098024.db2.gz SCXKZJZECYBEAM-INIZCTEOSA-N 1 0 380.477 2.308 20 0 GEADRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736276796 599132022 /nfs/dbraw/zinc/13/20/22/599132022.db2.gz QHZOUQLGMPUNBE-QGZVFWFLSA-N 1 0 397.527 2.249 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000738383406 599136925 /nfs/dbraw/zinc/13/69/25/599136925.db2.gz BLMLURPIJPHXBC-IEBWSBKVSA-N 1 0 379.464 2.171 20 0 GEADRO FC(F)(F)c1csc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)n1 ZINC000822728715 599156702 /nfs/dbraw/zinc/15/67/02/599156702.db2.gz KKTLLYCVOXZUPI-UHFFFAOYSA-N 1 0 394.386 2.322 20 0 GEADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000820020093 599157133 /nfs/dbraw/zinc/15/71/33/599157133.db2.gz BBZKSRKVDLKSOS-PBHICJAKSA-N 1 0 384.463 2.101 20 0 GEADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000736203991 599161890 /nfs/dbraw/zinc/16/18/90/599161890.db2.gz PCPQGDYSEWHVLJ-AWEZNQCLSA-N 1 0 377.452 2.217 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000738402175 599174875 /nfs/dbraw/zinc/17/48/75/599174875.db2.gz YZDGEJOBDGQBQX-GFCCVEGCSA-N 1 0 375.889 2.163 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000738402176 599174979 /nfs/dbraw/zinc/17/49/79/599174979.db2.gz YZDGEJOBDGQBQX-LBPRGKRZSA-N 1 0 375.889 2.163 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614708 599193751 /nfs/dbraw/zinc/19/37/51/599193751.db2.gz RLEBIHVKUXEQSM-IBGZPJMESA-N 1 0 391.479 2.012 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000736189947 599221046 /nfs/dbraw/zinc/22/10/46/599221046.db2.gz UYEHJHNCHAXRER-DOTOQJQBSA-N 1 0 393.447 2.452 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736295378 599230678 /nfs/dbraw/zinc/23/06/78/599230678.db2.gz USZHZPHTPXYOFW-CRAIPNDOSA-N 1 0 378.484 2.246 20 0 GEADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000532881207 597080423 /nfs/dbraw/zinc/08/04/23/597080423.db2.gz DKHUEENXHFXVOO-IEBWSBKVSA-N 1 0 387.524 2.342 20 0 GEADRO C[C@@H]1CCC[C@H](C)C[N@H+]1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000736249337 599250887 /nfs/dbraw/zinc/25/08/87/599250887.db2.gz KLGNOGKUOBTHPN-LSDHHAIUSA-N 1 0 397.483 2.099 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NC[C@@H](C(C)C)[NH+]3CCOCC3)c2c1 ZINC000737248475 599264313 /nfs/dbraw/zinc/26/43/13/599264313.db2.gz FZNRNCPNHILWJA-SFHVURJKSA-N 1 0 395.511 2.222 20 0 GEADRO NC(=O)C1CC[NH+](Cc2cccc(NCc3cc(-c4nn[nH]n4)cs3)c2)CC1 ZINC000822865225 607310168 /nfs/dbraw/zinc/31/01/68/607310168.db2.gz YICDBWYFGHRFRA-UHFFFAOYSA-N 1 0 397.508 2.238 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736237351 599271387 /nfs/dbraw/zinc/27/13/87/599271387.db2.gz PXWKFYFNNHQLDE-IIDMSEBBSA-N 1 0 383.500 2.142 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC[N@@H+]1C ZINC000820658154 599276051 /nfs/dbraw/zinc/27/60/51/599276051.db2.gz QFUSLOLGYZXKNS-ZYHUDNBSSA-N 1 0 395.414 2.415 20 0 GEADRO C[N@H+](CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)C1CCCC1 ZINC000736800321 599280727 /nfs/dbraw/zinc/28/07/27/599280727.db2.gz JWZZFXSRHRRZOW-UHFFFAOYSA-N 1 0 395.414 2.464 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738144734 599287592 /nfs/dbraw/zinc/28/75/92/599287592.db2.gz MUOYMUIOIQBXHJ-LLVKDONJSA-N 1 0 381.362 2.197 20 0 GEADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000736849624 598237606 /nfs/dbraw/zinc/23/76/06/598237606.db2.gz UWPAYLUNRMNXFK-AWEZNQCLSA-N 1 0 396.451 2.062 20 0 GEADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000736849625 598237759 /nfs/dbraw/zinc/23/77/59/598237759.db2.gz UWPAYLUNRMNXFK-CQSZACIVSA-N 1 0 396.451 2.062 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNc3ccc(-c4nn[nH]n4)cc3F)cn2)CC1 ZINC000736568715 598239714 /nfs/dbraw/zinc/23/97/14/598239714.db2.gz LEGIICDLKYDAKC-UHFFFAOYSA-N 1 0 382.447 2.155 20 0 GEADRO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000737641247 598246769 /nfs/dbraw/zinc/24/67/69/598246769.db2.gz VQMKWCPQPBZURB-UHFFFAOYSA-N 1 0 384.463 2.195 20 0 GEADRO Cc1ccc(C)n1C1CC[NH+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737332913 598249703 /nfs/dbraw/zinc/24/97/03/598249703.db2.gz YAVVAUBHUQPNLC-UHFFFAOYSA-N 1 0 393.495 2.238 20 0 GEADRO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736907838 598249738 /nfs/dbraw/zinc/24/97/38/598249738.db2.gz DQXIPUUYXJLXIN-XYPHTWIQSA-N 1 0 398.467 2.001 20 0 GEADRO CC(C)N(C(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)C(C)C ZINC000735850363 598250141 /nfs/dbraw/zinc/25/01/41/598250141.db2.gz CKYJGAOPHRUMNP-UHFFFAOYSA-N 1 0 386.500 2.355 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000736633779 598263599 /nfs/dbraw/zinc/26/35/99/598263599.db2.gz FGWPXRJBHOUMRR-OAHLLOKOSA-N 1 0 385.472 2.358 20 0 GEADRO C[C@H](C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736236460 598285095 /nfs/dbraw/zinc/28/50/95/598285095.db2.gz JZBMWJHBCSETIJ-BRWVUGGUSA-N 1 0 397.527 2.167 20 0 GEADRO CCCC(=O)NC[C@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736413575 598300657 /nfs/dbraw/zinc/30/06/57/598300657.db2.gz SKEWOKRHSKZNOE-MRXNPFEDSA-N 1 0 386.500 2.264 20 0 GEADRO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000738165307 598301306 /nfs/dbraw/zinc/30/13/06/598301306.db2.gz JIKSZFAJYSLGQJ-MRXNPFEDSA-N 1 0 381.415 2.402 20 0 GEADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000736267882 598318855 /nfs/dbraw/zinc/31/88/55/598318855.db2.gz UTNOUOBIRRQKQA-AWEZNQCLSA-N 1 0 389.479 2.317 20 0 GEADRO C[NH+](C)CCOc1cccc(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000736768989 598323787 /nfs/dbraw/zinc/32/37/87/598323787.db2.gz LYKFXNGXPYUQNY-UHFFFAOYSA-N 1 0 399.430 2.268 20 0 GEADRO C[C@H]1CN([C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c2cccs2)CCO1 ZINC000736290101 598348929 /nfs/dbraw/zinc/34/89/29/598348929.db2.gz GUZNTZCKNLOVES-WMLDXEAASA-N 1 0 384.509 2.480 20 0 GEADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000736818901 598349963 /nfs/dbraw/zinc/34/99/63/598349963.db2.gz ZGJZOPANJDZCBS-QGZVFWFLSA-N 1 0 384.509 2.434 20 0 GEADRO Cc1nc(C)n([C@H]2CCC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737473098 598355876 /nfs/dbraw/zinc/35/58/76/598355876.db2.gz DSXKPLRDHMVGHX-KRWDZBQOSA-N 1 0 382.472 2.181 20 0 GEADRO CC[NH+](CC)[C@@H](C)CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736534541 598357846 /nfs/dbraw/zinc/35/78/46/598357846.db2.gz QLNDUMQVLSRUAP-AWEZNQCLSA-N 1 0 398.467 2.499 20 0 GEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000736524264 598361841 /nfs/dbraw/zinc/36/18/41/598361841.db2.gz TZOGQDXNBJPLNC-CQSZACIVSA-N 1 0 376.530 2.337 20 0 GEADRO C[C@@H]1CN(Cc2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736291000 598364247 /nfs/dbraw/zinc/36/42/47/598364247.db2.gz TVVZPCDKXVLTLZ-FOIQADDNSA-N 1 0 396.470 2.246 20 0 GEADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H](c1cccs1)N1CCOCC1 ZINC000736829082 598366644 /nfs/dbraw/zinc/36/66/44/598366644.db2.gz WHIWYXDBGAQKQU-QGZVFWFLSA-N 1 0 384.509 2.434 20 0 GEADRO CCc1nccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736705067 598367565 /nfs/dbraw/zinc/36/75/65/598367565.db2.gz FAOZTOBYPWDLSQ-HNNXBMFYSA-N 1 0 394.483 2.291 20 0 GEADRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737510754 598368836 /nfs/dbraw/zinc/36/88/36/598368836.db2.gz NABFENKVJFJDPX-YOEHRIQHSA-N 1 0 394.483 2.381 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000735558330 598373887 /nfs/dbraw/zinc/37/38/87/598373887.db2.gz AAWOSPLONOEPDT-KSSFIOAISA-N 1 0 377.452 2.380 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737840163 598374465 /nfs/dbraw/zinc/37/44/65/598374465.db2.gz ZUYCGGMHOHUDMO-GOSISDBHSA-N 1 0 377.452 2.382 20 0 GEADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737262669 598451358 /nfs/dbraw/zinc/45/13/58/598451358.db2.gz OVUVLROILGWYSD-UHFFFAOYSA-N 1 0 395.492 2.371 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000736178563 598455088 /nfs/dbraw/zinc/45/50/88/598455088.db2.gz ANIIMKRWOMGVJR-HOTGVXAUSA-N 1 0 384.484 2.111 20 0 GEADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736531374 598462087 /nfs/dbraw/zinc/46/20/87/598462087.db2.gz VAJOALNVACNBGL-UHFFFAOYSA-N 1 0 379.468 2.246 20 0 GEADRO C[C@@]1([NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CCCc2ccccc21 ZINC000736222115 598486356 /nfs/dbraw/zinc/48/63/56/598486356.db2.gz DNXHWAIWIHFJMS-OAQYLSRUSA-N 1 0 376.464 2.324 20 0 GEADRO CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736489614 598506880 /nfs/dbraw/zinc/50/68/80/598506880.db2.gz XRUHRWGQTRSWFF-QZTJIDSGSA-N 1 0 384.484 2.253 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(C(F)(F)F)c1 ZINC000736136390 598517269 /nfs/dbraw/zinc/51/72/69/598517269.db2.gz RNHMQNXJZMJMBI-QWRGUYRKSA-N 1 0 392.389 2.475 20 0 GEADRO Clc1ccc(C2([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCC2)cc1 ZINC000737571229 598528196 /nfs/dbraw/zinc/52/81/96/598528196.db2.gz XILOXAVGYYGXCN-GFCCVEGCSA-N 1 0 384.875 2.427 20 0 GEADRO Clc1ccc(C2(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CC2)cc1 ZINC000737570135 598529743 /nfs/dbraw/zinc/52/97/43/598529743.db2.gz CBTXUMWBMTUVPF-GFCCVEGCSA-N 1 0 384.875 2.080 20 0 GEADRO Cc1cccc(C2([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)c1 ZINC000737389154 598529849 /nfs/dbraw/zinc/52/98/49/598529849.db2.gz JHSLJKQIMCTHTP-HNNXBMFYSA-N 1 0 378.484 2.472 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1ccc(OC3CCCC3)cc1)C2 ZINC000738418463 598531426 /nfs/dbraw/zinc/53/14/26/598531426.db2.gz ISJJQXWQRYDHNG-OAHLLOKOSA-N 1 0 394.483 2.216 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736532824 598555853 /nfs/dbraw/zinc/55/58/53/598555853.db2.gz DHDGDKJZGVIMHM-CQSZACIVSA-N 1 0 398.467 2.499 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736565976 598557727 /nfs/dbraw/zinc/55/77/27/598557727.db2.gz VTLGPUOASPESPJ-AWEZNQCLSA-N 1 0 396.451 2.110 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCCCC1 ZINC000736008207 598595038 /nfs/dbraw/zinc/59/50/38/598595038.db2.gz IWLFWGBDBVTIET-QFBILLFUSA-N 1 0 397.527 2.074 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000737545950 598613912 /nfs/dbraw/zinc/61/39/12/598613912.db2.gz AHIWXMZBOKOPFI-GJZGRUSLSA-N 1 0 395.467 2.258 20 0 GEADRO CCc1nnc([C@H](C)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000736708743 598636040 /nfs/dbraw/zinc/63/60/40/598636040.db2.gz ZVKWPCSMVKVWOS-AWEZNQCLSA-N 1 0 382.472 2.081 20 0 GEADRO C[C@@H](CNC(=O)CCc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736014123 598666365 /nfs/dbraw/zinc/66/63/65/598666365.db2.gz LAXBKFDBMIQKMZ-INIZCTEOSA-N 1 0 378.480 2.436 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000736184766 598668894 /nfs/dbraw/zinc/66/88/94/598668894.db2.gz NKROZYHTMWLUBL-INIZCTEOSA-N 1 0 386.500 2.406 20 0 GEADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737394334 598670441 /nfs/dbraw/zinc/67/04/41/598670441.db2.gz RGRNOXCABCNGFR-UHFFFAOYSA-N 1 0 394.479 2.144 20 0 GEADRO Cc1cccc(NC[C@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)C2)[nH+]1 ZINC000737400542 598671083 /nfs/dbraw/zinc/67/10/83/598671083.db2.gz VKIDIPLYXDAXDE-CQSZACIVSA-N 1 0 376.468 2.392 20 0 GEADRO Cc1nnc(NCc2ccc(OCCC[NH+](C)C)cc2)c(-c2nn[nH]n2)c1C ZINC000737533601 598675428 /nfs/dbraw/zinc/67/54/28/598675428.db2.gz OABRFILVOPAECQ-UHFFFAOYSA-N 1 0 382.472 2.216 20 0 GEADRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735634277 598679939 /nfs/dbraw/zinc/67/99/39/598679939.db2.gz XRQPRGVFHWJZNV-UHFFFAOYSA-N 1 0 376.436 2.495 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736757106 598690337 /nfs/dbraw/zinc/69/03/37/598690337.db2.gz ORHDQLVYKMIRCN-UHFFFAOYSA-N 1 0 393.451 2.220 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000736572640 598694415 /nfs/dbraw/zinc/69/44/15/598694415.db2.gz ZDSSRSWCSINDDA-CQSZACIVSA-N 1 0 383.456 2.163 20 0 GEADRO O=C(NCCCCC[NH+]1CCCCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000738055358 598717438 /nfs/dbraw/zinc/71/74/38/598717438.db2.gz MBBZWPZKFUDICZ-UHFFFAOYSA-N 1 0 389.479 2.461 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000736481121 598725497 /nfs/dbraw/zinc/72/54/97/598725497.db2.gz UVPAJCINIRJJMD-NSHDSACASA-N 1 0 395.414 2.322 20 0 GEADRO CCS[C@@H]1CCCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736666317 598749056 /nfs/dbraw/zinc/74/90/56/598749056.db2.gz RISSQLDDBGIHJH-DOTOQJQBSA-N 1 0 377.514 2.214 20 0 GEADRO COc1ccccc1C(C)(C)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737136890 598764492 /nfs/dbraw/zinc/76/44/92/598764492.db2.gz AFQLVMQJSGKJAR-UHFFFAOYSA-N 1 0 380.452 2.016 20 0 GEADRO COC(=O)C1CC[NH+](CCCNc2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000736911240 598792961 /nfs/dbraw/zinc/79/29/61/598792961.db2.gz DGEPBCSFHYTEPP-UHFFFAOYSA-N 1 0 378.864 2.207 20 0 GEADRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c(O)c1 ZINC000737308329 598806045 /nfs/dbraw/zinc/80/60/45/598806045.db2.gz JBRITBJUAATGFF-UHFFFAOYSA-N 1 0 380.452 2.085 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000735984293 598812975 /nfs/dbraw/zinc/81/29/75/598812975.db2.gz AQPNOZFMUKKFKY-CYBMUJFWSA-N 1 0 384.440 2.109 20 0 GEADRO CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)o1 ZINC000736702448 599292603 /nfs/dbraw/zinc/29/26/03/599292603.db2.gz PIOLSBBFMQMTLL-INIZCTEOSA-N 1 0 395.467 2.040 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000823303408 599292809 /nfs/dbraw/zinc/29/28/09/599292809.db2.gz HYJKGVYICCBLDU-LBPRGKRZSA-N 1 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393.495 2.496 20 0 GEADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000820971788 599690950 /nfs/dbraw/zinc/69/09/50/599690950.db2.gz GBRCQXCADOPSHA-KGLIPLIRSA-N 1 0 380.456 2.111 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000821197371 599695826 /nfs/dbraw/zinc/69/58/26/599695826.db2.gz JXLGRUZITYKMRV-UHFFFAOYSA-N 1 0 388.541 2.433 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000822220070 599698520 /nfs/dbraw/zinc/69/85/20/599698520.db2.gz CGFIWXTXSFWHBR-UHFFFAOYSA-N 1 0 391.479 2.175 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)Nc2ccnn2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820127009 599700359 /nfs/dbraw/zinc/70/03/59/599700359.db2.gz HCKYKGTWWKAGKN-UHFFFAOYSA-N 1 0 380.456 2.111 20 0 GEADRO Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000738520872 599963257 /nfs/dbraw/zinc/96/32/57/599963257.db2.gz WVESTPLEGVIYEO-CVEARBPZSA-N 1 0 391.512 2.045 20 0 GEADRO 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GUOGPNFISNHJHU-UHFFFAOYSA-N 1 0 382.447 2.171 20 0 GEADRO COc1cccc(C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C[C@H]2CCCO2)c1 ZINC000826216328 607489697 /nfs/dbraw/zinc/48/96/97/607489697.db2.gz TXWDOBXYRLUYHL-GOSISDBHSA-N 1 0 380.452 2.452 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1)C(=O)OC(C)(C)C ZINC000825907872 607492526 /nfs/dbraw/zinc/49/25/26/607492526.db2.gz CRIKUALEJMWSDL-HNNXBMFYSA-N 1 0 387.488 2.341 20 0 GEADRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)cc3F)nc2)C1 ZINC000821583148 607496619 /nfs/dbraw/zinc/49/66/19/607496619.db2.gz KHIYKQLGICSQCW-INIZCTEOSA-N 1 0 382.447 2.153 20 0 GEADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000822930204 607502067 /nfs/dbraw/zinc/50/20/67/607502067.db2.gz YPNLJHSVFKMLPC-OYEJSCKISA-N 1 0 378.480 2.355 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000824261555 607513266 /nfs/dbraw/zinc/51/32/66/607513266.db2.gz MQELWNCWNSTRST-AWEZNQCLSA-N 1 0 389.479 2.173 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000826182140 607513744 /nfs/dbraw/zinc/51/37/44/607513744.db2.gz AXFJRGSNMGXBAV-UHFFFAOYSA-N 1 0 384.484 2.100 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000826182797 607513889 /nfs/dbraw/zinc/51/38/89/607513889.db2.gz UQUFVWWTFAULNI-UHFFFAOYSA-N 1 0 378.436 2.139 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC000826184167 607519597 /nfs/dbraw/zinc/51/95/97/607519597.db2.gz NAMHTNORYGYFEY-UHFFFAOYSA-N 1 0 395.463 2.493 20 0 GEADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826454047 607521006 /nfs/dbraw/zinc/52/10/06/607521006.db2.gz IBRPJRGDCLIVNU-UHFFFAOYSA-N 1 0 381.415 2.252 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCCn1cccc1 ZINC000825866340 607525672 /nfs/dbraw/zinc/52/56/72/607525672.db2.gz WMRVOYZNXFMLCG-UHFFFAOYSA-N 1 0 381.484 2.039 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)o2)c1 ZINC000826512807 607528046 /nfs/dbraw/zinc/52/80/46/607528046.db2.gz OOKBCIDGOUOAMM-CVEARBPZSA-N 1 0 381.440 2.165 20 0 GEADRO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000832757729 604057478 /nfs/dbraw/zinc/05/74/78/604057478.db2.gz LUXIWWBAJJSALW-AABGKKOBSA-N 1 0 375.513 2.177 20 0 GEADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000826248376 607685163 /nfs/dbraw/zinc/68/51/63/607685163.db2.gz GQPWIFDXEZWXMI-SFHVURJKSA-N 1 0 390.491 2.470 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NCC[C@H]3CCC[NH2+]3)CC2=O)ccc1Br ZINC000444273940 649944343 /nfs/dbraw/zinc/94/43/43/649944343.db2.gz VIDPHEOTQKFTHG-UONOGXRCSA-N 1 0 394.313 2.369 20 0 GEADRO Cc1nc(Cl)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826326608 607710390 /nfs/dbraw/zinc/71/03/90/607710390.db2.gz XARQBVGZSLWQPK-UHFFFAOYSA-N 1 0 399.886 2.428 20 0 GEADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833550594 605044913 /nfs/dbraw/zinc/04/49/13/605044913.db2.gz XJRFZAFUJFHJGE-SCTDSRPQSA-N 1 0 388.512 2.012 20 0 GEADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000833622040 605135217 /nfs/dbraw/zinc/13/52/17/605135217.db2.gz DRSIYEWRRYVGQR-HZPDHXFCSA-N 1 0 394.541 2.075 20 0 GEADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000833618963 605205282 /nfs/dbraw/zinc/20/52/82/605205282.db2.gz HNHAJQLCQVNXHU-WMZOPIPTSA-N 1 0 391.487 2.045 20 0 GEADRO CN(C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000445249892 649959280 /nfs/dbraw/zinc/95/92/80/649959280.db2.gz OTKXZVCQSJMXMN-AWEZNQCLSA-N 1 0 380.286 2.428 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)Cc1ccccc1 ZINC000445247269 649959298 /nfs/dbraw/zinc/95/92/98/649959298.db2.gz GLSHOZCNSWJQCP-OAHLLOKOSA-N 1 0 392.297 2.381 20 0 GEADRO O=C([O-])Nc1ccccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000740045717 605692251 /nfs/dbraw/zinc/69/22/51/605692251.db2.gz JWUNTWWSDOJPRJ-UHFFFAOYSA-N 1 0 383.452 2.114 20 0 GEADRO C[NH+](C)CCn1nnnc1SCCOc1cc(F)cc(Br)c1 ZINC000445555106 649962503 /nfs/dbraw/zinc/96/25/03/649962503.db2.gz AHSVCCMMSJPNQF-UHFFFAOYSA-N 1 0 390.282 2.307 20 0 GEADRO Cc1cccc(N2CC[NH+](CCCNc3ccc(-c4nn[nH]n4)nc3)CC2)c1 ZINC000822309347 606039533 /nfs/dbraw/zinc/03/95/33/606039533.db2.gz VIGJPMYYPXNRHE-UHFFFAOYSA-N 1 0 378.484 2.194 20 0 GEADRO Cc1nc2[nH]ccc2c(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822449563 606062153 /nfs/dbraw/zinc/06/21/53/606062153.db2.gz DTCIIBOBLQLJEG-UHFFFAOYSA-N 1 0 389.467 2.159 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000821702542 606071278 /nfs/dbraw/zinc/07/12/78/606071278.db2.gz WVZQWCIIVWXQLI-XOBRGWDASA-N 1 0 389.500 2.421 20 0 GEADRO CCOCC[N@@H+]1CCN(c2nc3ccccc3cc2-c2nn[nH]n2)C[C@H]1CC ZINC000821378829 606072608 /nfs/dbraw/zinc/07/26/08/606072608.db2.gz UXNYBPSTCLFEFN-MRXNPFEDSA-N 1 0 381.484 2.352 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821088055 606088610 /nfs/dbraw/zinc/08/86/10/606088610.db2.gz IZNHEYRDHNKMLG-UKRRQHHQSA-N 1 0 389.504 2.067 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821088053 606088907 /nfs/dbraw/zinc/08/89/07/606088907.db2.gz IZNHEYRDHNKMLG-HIFRSBDPSA-N 1 0 389.504 2.067 20 0 GEADRO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1)C1CCCC1 ZINC000821689315 606107472 /nfs/dbraw/zinc/10/74/72/606107472.db2.gz VWJLOWJEKARYET-UHFFFAOYSA-N 1 0 378.502 2.375 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000821596164 606111556 /nfs/dbraw/zinc/11/15/56/606111556.db2.gz BKCNIWFMPWDELS-OAHLLOKOSA-N 1 0 394.483 2.080 20 0 GEADRO Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822693606 606113312 /nfs/dbraw/zinc/11/33/12/606113312.db2.gz GYDFPWOJCHSWBJ-QFBILLFUSA-N 1 0 382.468 2.172 20 0 GEADRO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000822991428 606116245 /nfs/dbraw/zinc/11/62/45/606116245.db2.gz CIVVLOHCHQYTSO-GJZGRUSLSA-N 1 0 392.467 2.113 20 0 GEADRO O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000822991429 606116337 /nfs/dbraw/zinc/11/63/37/606116337.db2.gz CIVVLOHCHQYTSO-HUUCEWRRSA-N 1 0 392.467 2.113 20 0 GEADRO C[C@@H](C(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1)[NH+](C)C ZINC000821989871 606127959 /nfs/dbraw/zinc/12/79/59/606127959.db2.gz MPRXESQSYODIAL-AWEZNQCLSA-N 1 0 382.443 2.485 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)C1 ZINC000821189359 606140680 /nfs/dbraw/zinc/14/06/80/606140680.db2.gz KTUBUFKXYICOCT-HNNXBMFYSA-N 1 0 381.484 2.352 20 0 GEADRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820678783 606189534 /nfs/dbraw/zinc/18/95/34/606189534.db2.gz YJMOIHIIHKGLMU-UNEWFSDZSA-N 1 0 375.498 2.293 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820076856 606196173 /nfs/dbraw/zinc/19/61/73/606196173.db2.gz VBOPTOKXTDDKPW-UHFFFAOYSA-N 1 0 385.516 2.153 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000820426461 606210926 /nfs/dbraw/zinc/21/09/26/606210926.db2.gz KDGJCWYVDRRVNX-LLVKDONJSA-N 1 0 392.510 2.029 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)c2c1 ZINC000822195070 606227493 /nfs/dbraw/zinc/22/74/93/606227493.db2.gz GBJXMCGOBXXIOR-YJBOKZPZSA-N 1 0 393.495 2.189 20 0 GEADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000821624104 606255879 /nfs/dbraw/zinc/25/58/79/606255879.db2.gz YYLQGDDJFFPQBX-LRDDRELGSA-N 1 0 385.497 2.080 20 0 GEADRO CN(CC[NH+](C)C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000821584901 606291538 /nfs/dbraw/zinc/29/15/38/606291538.db2.gz XHSYOAWKDRMSQW-UHFFFAOYSA-N 1 0 384.415 2.432 20 0 GEADRO O=S(=O)(CC[NH2+]C1C2CC3CC(C2)CC1C3)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562259 606308626 /nfs/dbraw/zinc/30/86/26/606308626.db2.gz PRRKZENWTBDSCY-UHFFFAOYSA-N 1 0 387.509 2.055 20 0 GEADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822275334 606310001 /nfs/dbraw/zinc/31/00/01/606310001.db2.gz QOHICBDZZZEOGS-SFHVURJKSA-N 1 0 383.477 2.226 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCc2c1cccc2F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823563090 606310481 /nfs/dbraw/zinc/31/04/81/606310481.db2.gz ZRIBPBXKNNZAQT-KRWDZBQOSA-N 1 0 387.440 2.057 20 0 GEADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000821652030 606317765 /nfs/dbraw/zinc/31/77/65/606317765.db2.gz KZHQDLOJZYNGQC-SFHVURJKSA-N 1 0 384.484 2.031 20 0 GEADRO C[NH+](C)[C@]1(CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCSC1 ZINC000821581810 606327750 /nfs/dbraw/zinc/32/77/50/606327750.db2.gz VEWDLRIMGYVTJD-HNNXBMFYSA-N 1 0 397.961 2.244 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000821001314 606334212 /nfs/dbraw/zinc/33/42/12/606334212.db2.gz PYRWTVWXJPUZJX-UONOGXRCSA-N 1 0 389.529 2.206 20 0 GEADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820643647 606335450 /nfs/dbraw/zinc/33/54/50/606335450.db2.gz YAMDTUNCTJFVDY-BEFAXECRSA-N 1 0 376.464 2.361 20 0 GEADRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820643049 606337806 /nfs/dbraw/zinc/33/78/06/606337806.db2.gz PEMULHJVDLEJOJ-KXBFYZLASA-N 1 0 376.464 2.361 20 0 GEADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000445890598 649965969 /nfs/dbraw/zinc/96/59/69/649965969.db2.gz OVXWJXPRZFWPHH-ZDUSSCGKSA-N 1 0 381.420 2.148 20 0 GEADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N1CCN(c2ccccc2)CC1 ZINC000820274602 606408554 /nfs/dbraw/zinc/40/85/54/606408554.db2.gz JCEVTKCQPLUFLA-OAHLLOKOSA-N 1 0 383.525 2.229 20 0 GEADRO COc1ccc([C@@H]2[C@H](COC(=O)c3cc(-c4nn[nH]n4)cn3C)CC[N@@H+]2C)cc1 ZINC000821782267 606409656 /nfs/dbraw/zinc/40/96/56/606409656.db2.gz CJRFDBBCPIWMPZ-KBXCAEBGSA-N 1 0 396.451 2.064 20 0 GEADRO C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)c2)CCO1 ZINC000820758839 606412488 /nfs/dbraw/zinc/41/24/88/606412488.db2.gz DORLZCQFUHZTRA-CQSZACIVSA-N 1 0 384.509 2.439 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)COc1ccc(C(F)(F)F)cc1 ZINC000823689312 606413492 /nfs/dbraw/zinc/41/34/92/606413492.db2.gz DMRSLYMDSFCFQM-LLVKDONJSA-N 1 0 399.398 2.477 20 0 GEADRO c1cc(-c2nn[nH]n2)sc1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000823766644 606414352 /nfs/dbraw/zinc/41/43/52/606414352.db2.gz GYMDFTSDYANDMG-UHFFFAOYSA-N 1 0 399.476 2.495 20 0 GEADRO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822399380 606415526 /nfs/dbraw/zinc/41/55/26/606415526.db2.gz FHRPLKJWHJVQTB-UHFFFAOYSA-N 1 0 377.452 2.450 20 0 GEADRO COc1ccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c(OC)c1OC ZINC000821790010 606417289 /nfs/dbraw/zinc/41/72/89/606417289.db2.gz DTVGTKIVNJZFJI-UHFFFAOYSA-N 1 0 375.454 2.286 20 0 GEADRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820261774 606421535 /nfs/dbraw/zinc/42/15/35/606421535.db2.gz QCEHBQAXLYHGQQ-HNNXBMFYSA-N 1 0 383.525 2.229 20 0 GEADRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000820649734 606434251 /nfs/dbraw/zinc/43/42/51/606434251.db2.gz OEXUURJHRIYNJF-SGTLLEGYSA-N 1 0 392.529 2.424 20 0 GEADRO CCC[C@H]1C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821033675 606442053 /nfs/dbraw/zinc/44/20/53/606442053.db2.gz DITKCGNSLJZUEN-ROUUACIJSA-N 1 0 383.500 2.273 20 0 GEADRO CO[C@]1(C)C[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C1(C)C ZINC000821678830 606452296 /nfs/dbraw/zinc/45/22/96/606452296.db2.gz SPTFNKCURLGPQO-YVEFUNNKSA-N 1 0 378.502 2.392 20 0 GEADRO CC[C@H]1C[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](CC)CN1C(C)=O ZINC000820995825 606454177 /nfs/dbraw/zinc/45/41/77/606454177.db2.gz YTEXINHRLHFJAS-ROUUACIJSA-N 1 0 386.500 2.357 20 0 GEADRO CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000821697932 606454764 /nfs/dbraw/zinc/45/47/64/606454764.db2.gz XNSZFJHNMAQBSC-LBPRGKRZSA-N 1 0 390.513 2.246 20 0 GEADRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000821697931 606454795 /nfs/dbraw/zinc/45/47/95/606454795.db2.gz 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390.513 2.102 20 0 GEADRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825560694 608468967 /nfs/dbraw/zinc/46/89/67/608468967.db2.gz VRWAQAYSHLSFSR-ZDUSSCGKSA-N 1 0 394.435 2.333 20 0 GEADRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000825140499 608470863 /nfs/dbraw/zinc/47/08/63/608470863.db2.gz JZVHITYZEDYPFN-SJORKVTESA-N 1 0 381.436 2.412 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000825621173 608477506 /nfs/dbraw/zinc/47/75/06/608477506.db2.gz ONOWTIIYJSCBPF-AWEZNQCLSA-N 1 0 385.472 2.215 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824562062 608480214 /nfs/dbraw/zinc/48/02/14/608480214.db2.gz CKTUKZVAZMJXJM-CXAGYDPISA-N 1 0 378.436 2.157 20 0 GEADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824004770 608487877 /nfs/dbraw/zinc/48/78/77/608487877.db2.gz DTVXQNKZXQZNMS-GFCCVEGCSA-N 1 0 379.424 2.114 20 0 GEADRO CC[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@H]1COc2ccccc2O1 ZINC000825445303 608499502 /nfs/dbraw/zinc/49/95/02/608499502.db2.gz ZSVFELOXSYBTTN-INIZCTEOSA-N 1 0 391.435 2.176 20 0 GEADRO c1ccc2c(c1)C=C(CN1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)CO2 ZINC000823868178 608501610 /nfs/dbraw/zinc/50/16/10/608501610.db2.gz PQFFLAVMWQXQJI-UHFFFAOYSA-N 1 0 388.475 2.460 20 0 GEADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826442725 608505644 /nfs/dbraw/zinc/50/56/44/608505644.db2.gz IPJFJYWWAFHICW-UHFFFAOYSA-N 1 0 382.493 2.457 20 0 GEADRO c1cnnc(N2CCC[C@H]2C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826526163 608510337 /nfs/dbraw/zinc/51/03/37/608510337.db2.gz NNQBNBYPBQKCOB-WMZOPIPTSA-N 1 0 376.468 2.293 20 0 GEADRO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826073412 608512412 /nfs/dbraw/zinc/51/24/12/608512412.db2.gz RAFZDPGDRUGXEH-LJQANCHMSA-N 1 0 376.464 2.436 20 0 GEADRO CC(=O)Nc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000823999678 608514915 /nfs/dbraw/zinc/51/49/15/608514915.db2.gz GYJIKZRUQMQCMZ-UHFFFAOYSA-N 1 0 377.452 2.147 20 0 GEADRO c1cnnc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)c1 ZINC000826525811 608522300 /nfs/dbraw/zinc/52/23/00/608522300.db2.gz ABBHVNUFAROHJD-SJLPKXTDSA-N 1 0 376.468 2.293 20 0 GEADRO COc1cccc(COC[C@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826216917 608531033 /nfs/dbraw/zinc/53/10/33/608531033.db2.gz RVTOLXLEOGNHSU-GOSISDBHSA-N 1 0 395.463 2.032 20 0 GEADRO CC(=O)Nc1cccc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000824005470 608531506 /nfs/dbraw/zinc/53/15/06/608531506.db2.gz UDVQDUNMOVGUFS-UHFFFAOYSA-N 1 0 391.435 2.043 20 0 GEADRO O[C@@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)COc1cccc2[nH]ccc21 ZINC000826503286 608534220 /nfs/dbraw/zinc/53/42/20/608534220.db2.gz UTTMTPSYZIDBNP-INIZCTEOSA-N 1 0 390.447 2.367 20 0 GEADRO Cc1cc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000826262559 608554011 /nfs/dbraw/zinc/55/40/11/608554011.db2.gz RZGIXVZVYWDZOD-ZDUSSCGKSA-N 1 0 389.456 2.439 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000826176465 608555115 /nfs/dbraw/zinc/55/51/15/608555115.db2.gz QOHMMOBPCRGQIS-UHFFFAOYSA-N 1 0 395.419 2.262 20 0 GEADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000824598318 608559519 /nfs/dbraw/zinc/55/95/19/608559519.db2.gz DQOUKLFVEMNDNU-AWEZNQCLSA-N 1 0 376.424 2.177 20 0 GEADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)nc1 ZINC000826290448 608559750 /nfs/dbraw/zinc/55/97/50/608559750.db2.gz MWUGROTVQOIKGQ-CYBMUJFWSA-N 1 0 383.481 2.482 20 0 GEADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(-n2ccnn2)cc1 ZINC000824598326 608559894 /nfs/dbraw/zinc/55/98/94/608559894.db2.gz DTJMHWSLHPEOPW-AWEZNQCLSA-N 1 0 376.424 2.177 20 0 GEADRO C[C@H]1CCOCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000824968948 608563532 /nfs/dbraw/zinc/56/35/32/608563532.db2.gz RAWRQPLZDPMTBV-LBPRGKRZSA-N 1 0 390.513 2.246 20 0 GEADRO COCC[N@H+](CCc1ccccc1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826158364 608564758 /nfs/dbraw/zinc/56/47/58/608564758.db2.gz MILUQZBCHZWBJY-UHFFFAOYSA-N 1 0 377.452 2.206 20 0 GEADRO c1nn2ccccc2c1C[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826525026 608571086 /nfs/dbraw/zinc/57/10/86/608571086.db2.gz SMOCSAZKRKCUEA-UHFFFAOYSA-N 1 0 390.451 2.389 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825492005 608580616 /nfs/dbraw/zinc/58/06/16/608580616.db2.gz BVTZBLZZSCOHJN-STQMWFEESA-N 1 0 395.410 2.332 20 0 GEADRO CN(CC[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1)C(=O)OC(C)(C)C ZINC000825941617 608583205 /nfs/dbraw/zinc/58/32/05/608583205.db2.gz LPDUOAIISKOGHO-UHFFFAOYSA-N 1 0 376.461 2.044 20 0 GEADRO Fc1cccc(N2CC[NH+](Cc3ccc4c(c3)COC4)CC2)c1-c1nn[nH]n1 ZINC000826377128 608596408 /nfs/dbraw/zinc/59/64/08/608596408.db2.gz GGHDXTLGRVDVAK-UHFFFAOYSA-N 1 0 380.427 2.358 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CCc1ccncc1 ZINC000824045917 608640952 /nfs/dbraw/zinc/64/09/52/608640952.db2.gz PDJSNVLFLRYTES-LBPRGKRZSA-N 1 0 385.859 2.417 20 0 GEADRO Cc1occc1C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826342580 608648089 /nfs/dbraw/zinc/64/80/89/608648089.db2.gz RDBYNRREGKUFOY-UHFFFAOYSA-N 1 0 384.415 2.302 20 0 GEADRO NC(=O)[C@@H](Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388581 608754432 /nfs/dbraw/zinc/75/44/32/608754432.db2.gz DTMZLWYCTUEYBQ-IBGZPJMESA-N 1 0 391.479 2.144 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000826521392 608837992 /nfs/dbraw/zinc/83/79/92/608837992.db2.gz KIXWUFDPTWEYIE-GOSISDBHSA-N 1 0 389.463 2.348 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000824319088 608842823 /nfs/dbraw/zinc/84/28/23/608842823.db2.gz FIMMCSLBAUPPRL-UHFFFAOYSA-N 1 0 375.477 2.458 20 0 GEADRO Cc1ccc(NCc2cnc3ccc(-c4nn[nH]n4)cn23)c(OCC[NH+](C)C)c1 ZINC000826291692 608861531 /nfs/dbraw/zinc/86/15/31/608861531.db2.gz RDCAVCUMPUITJJ-UHFFFAOYSA-N 1 0 392.467 2.375 20 0 GEADRO COc1cccc(N2C[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)CC2=O)c1 ZINC000826216743 609140242 /nfs/dbraw/zinc/14/02/42/609140242.db2.gz LSZTZHOVQSLDDP-TZMCWYRMSA-N 1 0 396.426 2.471 20 0 GEADRO Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259520 609141030 /nfs/dbraw/zinc/14/10/30/609141030.db2.gz VFKSFDKWNZFLTK-UHFFFAOYSA-N 1 0 396.499 2.209 20 0 GEADRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000826181396 609144846 /nfs/dbraw/zinc/14/48/46/609144846.db2.gz XSXBKMMIMTWIKD-ZMZPIMSZSA-N 1 0 387.415 2.407 20 0 GEADRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824906756 609148854 /nfs/dbraw/zinc/14/88/54/609148854.db2.gz DQRZKFQWCOXGQL-KWCYVHTRSA-N 1 0 385.390 2.269 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824617343 609153452 /nfs/dbraw/zinc/15/34/52/609153452.db2.gz GVLBGDJVPMHDMJ-LLVKDONJSA-N 1 0 387.440 2.186 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000446396376 649979510 /nfs/dbraw/zinc/97/95/10/649979510.db2.gz ABWUBJZOPCXXAV-BNOWGMLFSA-N 1 0 380.286 2.188 20 0 GEADRO Cc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258488 609162332 /nfs/dbraw/zinc/16/23/32/609162332.db2.gz MYGQZAGQIUIYHL-MRXNPFEDSA-N 1 0 396.499 2.067 20 0 GEADRO C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824402499 609168370 /nfs/dbraw/zinc/16/83/70/609168370.db2.gz WYKKQYRVLKXBQM-KSSFIOAISA-N 1 0 384.484 2.157 20 0 GEADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC000824947900 609196810 /nfs/dbraw/zinc/19/68/10/609196810.db2.gz RHIYIDXVANMAGW-CQSZACIVSA-N 1 0 379.468 2.357 20 0 GEADRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825418103 609203237 /nfs/dbraw/zinc/20/32/37/609203237.db2.gz XBTYLZMCODRXOM-LJQANCHMSA-N 1 0 394.479 2.058 20 0 GEADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826435725 609210485 /nfs/dbraw/zinc/21/04/85/609210485.db2.gz WFUANLWDWBLDJZ-UHFFFAOYSA-N 1 0 399.886 2.490 20 0 GEADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435111 609220903 /nfs/dbraw/zinc/22/09/03/609220903.db2.gz MNIRUTNNQAVXMS-IBGZPJMESA-N 1 0 394.479 2.010 20 0 GEADRO Cc1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259008 609230264 /nfs/dbraw/zinc/23/02/64/609230264.db2.gz DRSVICCVYIWXIF-KRWDZBQOSA-N 1 0 396.499 2.067 20 0 GEADRO O=C(C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)NCCc1ccccc1 ZINC000826412591 609232981 /nfs/dbraw/zinc/23/29/81/609232981.db2.gz UVSMGGXPOWVDKH-LJQANCHMSA-N 1 0 376.464 2.193 20 0 GEADRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824662724 609247282 /nfs/dbraw/zinc/24/72/82/609247282.db2.gz QFKJTPSNRCWWFS-KUHUBIRLSA-N 1 0 391.479 2.490 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826089963 609250573 /nfs/dbraw/zinc/25/05/73/609250573.db2.gz BAGDBMVPMIWBAH-ZDUSSCGKSA-N 1 0 398.492 2.115 20 0 GEADRO c1cc(-c2nnc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)o2)ccc1-c1nn[nH]n1 ZINC000826513056 609284160 /nfs/dbraw/zinc/28/41/60/609284160.db2.gz YWABMOPJGQEIQP-MRXNPFEDSA-N 1 0 381.440 2.308 20 0 GEADRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824728752 609285855 /nfs/dbraw/zinc/28/58/55/609285855.db2.gz HBUHEDWVJUUJAU-HLLBOEOZSA-N 1 0 398.511 2.403 20 0 GEADRO Cc1noc(C2(C)CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826339501 609297177 /nfs/dbraw/zinc/29/71/77/609297177.db2.gz HBOJPMOFEXWRSI-UHFFFAOYSA-N 1 0 383.456 2.381 20 0 GEADRO C[C@@H](NC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824500119 609298186 /nfs/dbraw/zinc/29/81/86/609298186.db2.gz UDDWPPLITQZHSM-PBHICJAKSA-N 1 0 383.500 2.319 20 0 GEADRO C[C@H](NC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824500122 609298600 /nfs/dbraw/zinc/29/86/00/609298600.db2.gz UDDWPPLITQZHSM-YOEHRIQHSA-N 1 0 383.500 2.319 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H](F)Cc1ccccc1 ZINC000825866045 609319652 /nfs/dbraw/zinc/31/96/52/609319652.db2.gz PXDQJBJXQUZFTO-LJQANCHMSA-N 1 0 396.470 2.338 20 0 GEADRO C[C@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824594235 609325166 /nfs/dbraw/zinc/32/51/66/609325166.db2.gz YVJSTQALJFBZRC-INIZCTEOSA-N 1 0 395.486 2.479 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](O)c2ccsc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361133 609340195 /nfs/dbraw/zinc/34/01/95/609340195.db2.gz MJAKECHYOWHAEB-MRXNPFEDSA-N 1 0 381.465 2.152 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824466319 609344749 /nfs/dbraw/zinc/34/47/49/609344749.db2.gz WHXHGRRFHRSHKU-QWHCGFSZSA-N 1 0 393.426 2.455 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825390428 609364613 /nfs/dbraw/zinc/36/46/13/609364613.db2.gz DQZPOKNDIFYHDX-LBPRGKRZSA-N 1 0 379.306 2.403 20 0 GEADRO CC(=O)OC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000824010728 609366454 /nfs/dbraw/zinc/36/64/54/609366454.db2.gz RHJBLWBCAGNNBC-UHFFFAOYSA-N 1 0 380.246 2.157 20 0 GEADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000826513612 609367547 /nfs/dbraw/zinc/36/75/47/609367547.db2.gz QHEVUSBMTBNAKA-ZCNNSNEGSA-N 1 0 394.523 2.378 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000826203024 609413007 /nfs/dbraw/zinc/41/30/07/609413007.db2.gz WQGFSBFNJROCFY-QGZVFWFLSA-N 1 0 396.426 2.300 20 0 GEADRO O=C1[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476613 609417342 /nfs/dbraw/zinc/41/73/42/609417342.db2.gz LCUBCBSPLKTTJQ-RDJZCZTQSA-N 1 0 382.468 2.053 20 0 GEADRO CC(C)[C@@H](C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)[NH+](C)C ZINC000446489036 649982102 /nfs/dbraw/zinc/98/21/02/649982102.db2.gz TXPIAKJXUQVLRF-GJZGRUSLSA-N 1 0 382.302 2.257 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[C@@H]1CCCOC1 ZINC000824531354 609512212 /nfs/dbraw/zinc/51/22/12/609512212.db2.gz PDOJXZKAJAWTNL-GRYCIOLGSA-N 1 0 390.513 2.149 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ncc1Br ZINC000446476061 649981608 /nfs/dbraw/zinc/98/16/08/649981608.db2.gz GKPRRXCCHJUVJI-STQMWFEESA-N 1 0 397.317 2.470 20 0 GEADRO Fc1cc(-c2nn[nH]n2)cc(F)c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826371679 609558933 /nfs/dbraw/zinc/55/89/33/609558933.db2.gz PTYZIZAYVYKSIB-UHFFFAOYSA-N 1 0 392.454 2.474 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000446661117 649985768 /nfs/dbraw/zinc/98/57/68/649985768.db2.gz DYTVMVTYNYCZNI-ZDUSSCGKSA-N 1 0 392.297 2.229 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000447246856 650003303 /nfs/dbraw/zinc/00/33/03/650003303.db2.gz HNXURQSLISVZND-IUCAKERBSA-N 1 0 397.722 2.469 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)c(F)cc3F)C[C@H]21 ZINC000447254729 650004124 /nfs/dbraw/zinc/00/41/24/650004124.db2.gz 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Cc1ccc(Br)cc1CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000448948387 650026240 /nfs/dbraw/zinc/02/62/40/650026240.db2.gz CTGLCJZVNUSOJB-UHFFFAOYSA-N 1 0 382.346 2.396 20 0 GEADRO COc1nccnc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000449109158 650031867 /nfs/dbraw/zinc/03/18/67/650031867.db2.gz VKRFUGNKHPJWGV-UHFFFAOYSA-N 1 0 379.258 2.157 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000448978215 650028134 /nfs/dbraw/zinc/02/81/34/650028134.db2.gz WMRLTYKHYHKJKR-CQSZACIVSA-N 1 0 382.346 2.300 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[N@H+](C)CC[C@@H]1C ZINC000449015249 650029696 /nfs/dbraw/zinc/02/96/96/650029696.db2.gz DBFJTBZAXRRGGR-UONOGXRCSA-N 1 0 398.345 2.488 20 0 GEADRO CNC(=O)CN1CCC([NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449079581 650031181 /nfs/dbraw/zinc/03/11/81/650031181.db2.gz ZIMLWCHHSSRKPW-UHFFFAOYSA-N 1 0 391.313 2.297 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000449098703 650031554 /nfs/dbraw/zinc/03/15/54/650031554.db2.gz 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COC(=O)c1cc(CNc2cc(N(C)C)c(Br)c[nH+]2)n(C)c1C ZINC000449646970 650044386 /nfs/dbraw/zinc/04/43/86/650044386.db2.gz OSAUHVZSUZZGDD-UHFFFAOYSA-N 1 0 381.274 2.956 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cn(C)nc1C ZINC000449678621 650044802 /nfs/dbraw/zinc/04/48/02/650044802.db2.gz FVGLDHDKRRRKAM-CYBMUJFWSA-N 1 0 382.302 2.440 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000449677191 650044995 /nfs/dbraw/zinc/04/49/95/650044995.db2.gz ACUGBSGAHSLQFG-LRDDRELGSA-N 1 0 399.329 2.256 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cnn(C)c1C ZINC000449684109 650045248 /nfs/dbraw/zinc/04/52/48/650045248.db2.gz QRAIHKGRVXXGFU-ZDUSSCGKSA-N 1 0 382.302 2.440 20 0 GEADRO COc1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc(OC)c1Br ZINC000449726054 650047966 /nfs/dbraw/zinc/04/79/66/650047966.db2.gz WIGWJEHHXSINBH-JTQLQIEISA-N 1 0 385.180 2.476 20 0 GEADRO Cc1c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)nnn1-c1ccc(F)c(Cl)c1 ZINC000449724409 650047998 /nfs/dbraw/zinc/04/79/98/650047998.db2.gz GVYTWSWCUQKJJN-NSHDSACASA-N 1 0 379.745 2.378 20 0 GEADRO Cc1c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)nnn1-c1ccc(F)c(Cl)c1 ZINC000449724408 650048031 /nfs/dbraw/zinc/04/80/31/650048031.db2.gz GVYTWSWCUQKJJN-LLVKDONJSA-N 1 0 379.745 2.378 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000449739592 650048283 /nfs/dbraw/zinc/04/82/83/650048283.db2.gz LOHDXVQHYUCTHW-XHDPSFHLSA-N 1 0 385.302 2.213 20 0 GEADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000449754245 650048933 /nfs/dbraw/zinc/04/89/33/650048933.db2.gz QBMCNKQVGDJPDZ-RISCZKNCSA-N 1 0 380.286 2.059 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccsc1Br ZINC000449831854 650052881 /nfs/dbraw/zinc/05/28/81/650052881.db2.gz YVQFMWCZYUOPNA-LBPRGKRZSA-N 1 0 388.331 2.183 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000450078115 650059530 /nfs/dbraw/zinc/05/95/30/650059530.db2.gz NSNBBLBBTYSKJL-UHFFFAOYSA-N 1 0 380.290 2.492 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(I)cn2)C1 ZINC000450224087 650062453 /nfs/dbraw/zinc/06/24/53/650062453.db2.gz RUEJJCYWXRUGCG-ZDUSSCGKSA-N 1 0 375.254 2.455 20 0 GEADRO CC[C@H](CC(F)(F)F)C(=O)N(CC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000450376815 650064406 /nfs/dbraw/zinc/06/44/06/650064406.db2.gz JQUXTDRWZOURJX-KGLIPLIRSA-N 1 0 386.480 2.323 20 0 GEADRO O=C1CC[C@H](C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)CCN1 ZINC000450500688 650066263 /nfs/dbraw/zinc/06/62/63/650066263.db2.gz LJNQAVZZXRGQIP-INIZCTEOSA-N 1 0 380.330 2.483 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)CCc2cccc(F)c2Br)CC1 ZINC000450688124 650069282 /nfs/dbraw/zinc/06/92/82/650069282.db2.gz XRJATAFORGFVTF-UHFFFAOYSA-N 1 0 387.293 2.484 20 0 GEADRO O=c1[n-]nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)o1 ZINC000450899823 650074899 /nfs/dbraw/zinc/07/48/99/650074899.db2.gz DVDONOQZDSOVCU-DGCLKSJQSA-N 1 0 398.257 2.157 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)C1 ZINC000451144433 650090033 /nfs/dbraw/zinc/09/00/33/650090033.db2.gz HJWOKGSDGDFHPP-CYBMUJFWSA-N 1 0 388.917 2.445 20 0 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CC(C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000453560005 650209180 /nfs/dbraw/zinc/20/91/80/650209180.db2.gz FZCYVWSWUOPMKF-LBPRGKRZSA-N 1 0 397.317 2.053 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453648051 650212109 /nfs/dbraw/zinc/21/21/09/650212109.db2.gz NQYQOYNWVFNVAC-CQSZACIVSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000453589372 650209549 /nfs/dbraw/zinc/20/95/49/650209549.db2.gz WRTIKPMILMIZBB-UHFFFAOYSA-N 1 0 386.265 2.437 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000453614280 650210632 /nfs/dbraw/zinc/21/06/32/650210632.db2.gz UXRHOHPDHSVMSG-NSHDSACASA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000453650381 650212357 /nfs/dbraw/zinc/21/23/57/650212357.db2.gz ZNUSCVDXFAHPLU-ZDUSSCGKSA-N 1 0 395.301 2.224 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000453653460 650212689 /nfs/dbraw/zinc/21/26/89/650212689.db2.gz 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C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2F)CC[N@@H+](C2CC2)C1 ZINC000453776493 650225624 /nfs/dbraw/zinc/22/56/24/650225624.db2.gz XTNQOAGVSZPGLF-NSHDSACASA-N 1 0 398.276 2.469 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000453959013 650240209 /nfs/dbraw/zinc/24/02/09/650240209.db2.gz YMDDQBNQQIKXAT-YOGCLGLASA-N 1 0 396.285 2.138 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)ccc3C(F)(F)F)C[C@@H]21 ZINC000453920015 650235992 /nfs/dbraw/zinc/23/59/92/650235992.db2.gz RBIACCRLUHPBJE-RNCFNFMXSA-N 1 0 375.778 2.460 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000454070358 650250758 /nfs/dbraw/zinc/25/07/58/650250758.db2.gz PPYOXSULPILLBM-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2nn(C)cc2Br)C1 ZINC000454322467 650263007 /nfs/dbraw/zinc/26/30/07/650263007.db2.gz OFUGNXHYJVPSKH-CHWSQXEVSA-N 1 0 386.338 2.350 20 0 GEADRO CN1CCO[C@H](CNC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000454430745 650266481 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C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccncc1I ZINC000455083467 650290045 /nfs/dbraw/zinc/29/00/45/650290045.db2.gz QHUZGDDTKLHTJW-UHFFFAOYSA-N 1 0 390.269 2.350 20 0 GEADRO C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@@H]1[NH+](C)C ZINC000455607464 650309418 /nfs/dbraw/zinc/30/94/18/650309418.db2.gz BQQQJMQQEOMZOJ-WFASDCNBSA-N 1 0 392.301 3.049 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(I)cn1 ZINC000455704173 650313564 /nfs/dbraw/zinc/31/35/64/650313564.db2.gz KSQWZPXAYPHDMS-DGCLKSJQSA-N 1 0 385.249 2.385 20 0 GEADRO C[C@@H](NC(=O)Nc1nnc2ccc(Br)cn21)C(C)(C)C[NH+](C)C ZINC000455747544 650315478 /nfs/dbraw/zinc/31/54/78/650315478.db2.gz BFEIRRKKKHSXLA-SNVBAGLBSA-N 1 0 383.294 2.590 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[NH+](C)C ZINC000455854223 650322036 /nfs/dbraw/zinc/32/20/36/650322036.db2.gz DAJMRPDALJAXEI-CYBMUJFWSA-N 1 0 397.321 2.980 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000455797350 650318503 /nfs/dbraw/zinc/31/85/03/650318503.db2.gz 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ZINC000456383066 650338798 /nfs/dbraw/zinc/33/87/98/650338798.db2.gz YBKOHRFRGRPBHU-VXGBXAGGSA-N 1 0 397.317 2.053 20 0 GEADRO CCC[N@H+](C)CC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000456484580 650342682 /nfs/dbraw/zinc/34/26/82/650342682.db2.gz HDVURIRQJCWZOY-AWEZNQCLSA-N 1 0 387.318 2.067 20 0 GEADRO CC[C@@H](C)[NH+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000456546059 650347680 /nfs/dbraw/zinc/34/76/80/650347680.db2.gz HXNZYMDXUQRGFG-CYBMUJFWSA-N 1 0 382.302 2.122 20 0 GEADRO CC[C@H](C)[NH+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000456546060 650347742 /nfs/dbraw/zinc/34/77/42/650347742.db2.gz HXNZYMDXUQRGFG-ZDUSSCGKSA-N 1 0 382.302 2.122 20 0 GEADRO CCC[N@H+](C)CC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456720727 650358582 /nfs/dbraw/zinc/35/85/82/650358582.db2.gz NWGYIZWHVGFYJE-ZDUSSCGKSA-N 1 0 375.282 2.197 20 0 GEADRO C[NH+]1CCC(C(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000456732975 650361298 /nfs/dbraw/zinc/36/12/98/650361298.db2.gz VEPDRFURZHREJV-ZDUSSCGKSA-N 1 0 387.293 2.197 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)COc2ccc(Br)cc2)CC1 ZINC000456908902 650366858 /nfs/dbraw/zinc/36/68/58/650366858.db2.gz XIQZVBUGBOBFDS-UHFFFAOYSA-N 1 0 398.345 2.360 20 0 GEADRO CN(CC(=O)NC(C)(C)C[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000457215667 650374182 /nfs/dbraw/zinc/37/41/82/650374182.db2.gz ZYDLBCAOMVBGLJ-UHFFFAOYSA-N 1 0 376.320 2.039 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000500555299 650380403 /nfs/dbraw/zinc/38/04/03/650380403.db2.gz CLJBNMWRNZPDBE-YOEHRIQHSA-N 1 0 382.917 2.333 20 0 GEADRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000457377545 650377125 /nfs/dbraw/zinc/37/71/25/650377125.db2.gz BYFGLLUKOMAYFF-CABCVRRESA-N 1 0 385.306 2.315 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000500466927 650377974 /nfs/dbraw/zinc/37/79/74/650377974.db2.gz ZZOZJDSHFGCTJR-QMTHXVAHSA-N 1 0 379.295 2.396 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000500469104 650378232 /nfs/dbraw/zinc/37/82/32/650378232.db2.gz JKLPRHGWWXKZRL-KRWDZBQOSA-N 1 0 385.961 2.272 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000500492817 650379245 /nfs/dbraw/zinc/37/92/45/650379245.db2.gz BORUPPHDIJIOBQ-OCCSQVGLSA-N 1 0 380.432 2.435 20 0 GEADRO C[C@]1(n2cc(C[NH2+][C@@H]3CCCC[C@H]3OC(F)F)cn2)CCS(=O)(=O)C1 ZINC000500569641 650380694 /nfs/dbraw/zinc/38/06/94/650380694.db2.gz ZQEKCCWMHVTVEI-FMKPAKJESA-N 1 0 377.457 2.057 20 0 GEADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc(Br)co1 ZINC000457681185 650382626 /nfs/dbraw/zinc/38/26/26/650382626.db2.gz HVKFBMVVWANRPS-CABCVRRESA-N 1 0 379.254 2.407 20 0 GEADRO CCN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H](C)CS(=O)(=O)CC ZINC000500667157 650382815 /nfs/dbraw/zinc/38/28/15/650382815.db2.gz LTOGCVRNVPBJIS-MRXNPFEDSA-N 1 0 375.579 2.496 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)CC[N@@H+]1C ZINC000500937154 650385057 /nfs/dbraw/zinc/38/50/57/650385057.db2.gz ZALLYQIRPJWNHX-VXGBXAGGSA-N 1 0 390.347 2.276 20 0 GEADRO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000501342621 650390340 /nfs/dbraw/zinc/39/03/40/650390340.db2.gz QOBQMMUQCXTJPD-HIFRSBDPSA-N 1 0 387.318 2.472 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNCc2c(F)ccc(Br)c2F)C1 ZINC000501416910 650391159 /nfs/dbraw/zinc/39/11/59/650391159.db2.gz ZKGJQCVENJTTGM-NSHDSACASA-N 1 0 390.272 2.404 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NC[C@H]2CCC[N@H+]2C)cc1Br ZINC000458013752 650392594 /nfs/dbraw/zinc/39/25/94/650392594.db2.gz NNNGIPARVFNMBE-JKSUJKDBSA-N 1 0 398.345 2.302 20 0 GEADRO CC[NH+](CC)CC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458135955 650397113 /nfs/dbraw/zinc/39/71/13/650397113.db2.gz IRRXDUAGKKBSJX-ZDUSSCGKSA-N 1 0 375.282 2.197 20 0 GEADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCSC2CCCCC2)C1 ZINC000501920461 650399292 /nfs/dbraw/zinc/39/92/92/650399292.db2.gz URHOTWCMCBUFIK-KRWDZBQOSA-N 1 0 378.604 2.425 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000458438573 650403716 /nfs/dbraw/zinc/40/37/16/650403716.db2.gz QEPZTRGRVWRWGM-GDBMZVCRSA-N 1 0 397.317 2.411 20 0 GEADRO C[C@@H](CCNC(=O)NCCn1cc(Br)ccc1=O)[NH+]1CCCCC1 ZINC000458654178 650406482 /nfs/dbraw/zinc/40/64/82/650406482.db2.gz OKIFJCIWBKYXBU-AWEZNQCLSA-N 1 0 399.333 2.175 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000458689319 650407494 /nfs/dbraw/zinc/40/74/94/650407494.db2.gz IFMGPQZLEXEKPW-OAHLLOKOSA-N 1 0 385.306 2.269 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000458711705 650408824 /nfs/dbraw/zinc/40/88/24/650408824.db2.gz MFFLXOHYCIKNHO-ZDUSSCGKSA-N 1 0 387.933 2.275 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cc(OC)ccc3Br)[C@H]2C1 ZINC000502682830 650409789 /nfs/dbraw/zinc/40/97/89/650409789.db2.gz XFLHBNQSCYPTKS-DLBZAZTESA-N 1 0 397.313 2.322 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000502694006 650410312 /nfs/dbraw/zinc/41/03/12/650410312.db2.gz LEBQKDVCDYHEID-KGLIPLIRSA-N 1 0 384.318 2.354 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C)C[C@H]1[NH+](C)C ZINC000503220855 650416130 /nfs/dbraw/zinc/41/61/30/650416130.db2.gz QYHORUARHFOBAQ-OLZOCXBDSA-N 1 0 393.372 2.424 20 0 GEADRO CC[N@H+](Cc1cccc(Br)c1)CC1(O)CCS(=O)(=O)CC1 ZINC000502719010 650410800 /nfs/dbraw/zinc/41/08/00/650410800.db2.gz VIMGRBCDFIDPGR-UHFFFAOYSA-N 1 0 376.316 2.211 20 0 GEADRO C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000458858445 650411994 /nfs/dbraw/zinc/41/19/94/650411994.db2.gz UFLMTXSLCMLZDA-BONVTDFDSA-N 1 0 376.270 2.261 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Br)cc3[nH]cnc32)CCSC1 ZINC000502997933 650413831 /nfs/dbraw/zinc/41/38/31/650413831.db2.gz LYLMAXRRXOKIQM-OAHLLOKOSA-N 1 0 383.315 2.493 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(C)ccc2Br)C[C@@H]1[NH+](C)C ZINC000503211564 650415821 /nfs/dbraw/zinc/41/58/21/650415821.db2.gz JGTRPQIYSIRXSF-STQMWFEESA-N 1 0 393.372 2.424 20 0 GEADRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(I)cc2Cl)CC1 ZINC000503564924 650419931 /nfs/dbraw/zinc/41/99/31/650419931.db2.gz HJUASOCPFXJXKV-LLVKDONJSA-N 1 0 394.684 2.443 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCCc2cccc(Br)c2)CC1 ZINC000459151333 650420088 /nfs/dbraw/zinc/42/00/88/650420088.db2.gz OUVXKQDDSXXZPR-QGZVFWFLSA-N 1 0 398.345 2.384 20 0 GEADRO Cc1cc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1Br ZINC000459190677 650420743 /nfs/dbraw/zinc/42/07/43/650420743.db2.gz XIVBPHRUULPTIN-KGLIPLIRSA-N 1 0 384.318 2.354 20 0 GEADRO NC(=O)Cn1cc(C[NH2+]CC2(c3ccc(Br)cc3)CCCC2)nn1 ZINC000459427816 650423960 /nfs/dbraw/zinc/42/39/60/650423960.db2.gz JMHRSKOVQGICFV-UHFFFAOYSA-N 1 0 392.301 2.128 20 0 GEADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000459420281 650423992 /nfs/dbraw/zinc/42/39/92/650423992.db2.gz VUCPUPGCIRMWKM-UHFFFAOYSA-N 1 0 382.913 2.285 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)[C@H]1SC ZINC000459428975 650424250 /nfs/dbraw/zinc/42/42/50/650424250.db2.gz HHRQCVPVCOZTRK-GIPNMCIBSA-N 1 0 384.976 2.178 20 0 GEADRO Cc1ccc(Br)cc1C[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000459448724 650424543 /nfs/dbraw/zinc/42/45/43/650424543.db2.gz LQFKLAXKBJHEHH-UHFFFAOYSA-N 1 0 392.301 2.472 20 0 GEADRO CC(C)[NH+](CCNc1ncc(Br)cc1S(N)(=O)=O)C(C)C ZINC000504022927 650425862 /nfs/dbraw/zinc/42/58/62/650425862.db2.gz LZNXUYUWIMZEQA-UHFFFAOYSA-N 1 0 379.324 2.022 20 0 GEADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc(O)c2Br)cn1 ZINC000459485391 650425882 /nfs/dbraw/zinc/42/58/82/650425882.db2.gz ITQQZGMUSOYSNK-DYVFJYSZSA-N 1 0 393.285 2.481 20 0 GEADRO CCOc1cc(CN2CCC[N@@H+]([C@H](C)CO)CC2)cc(Br)c1O ZINC000459496844 650426320 /nfs/dbraw/zinc/42/63/20/650426320.db2.gz QFJWXXWJXDSIAM-CYBMUJFWSA-N 1 0 387.318 2.442 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504075764 650427328 /nfs/dbraw/zinc/42/73/28/650427328.db2.gz FQUGONWIIFKJEZ-BZUAXINKSA-N 1 0 382.302 2.409 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@@H](C)C1 ZINC000504129063 650427515 /nfs/dbraw/zinc/42/75/15/650427515.db2.gz ROQXTZAYRZISHY-UICACZKSSA-N 1 0 396.329 2.402 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459700147 650429853 /nfs/dbraw/zinc/42/98/53/650429853.db2.gz MNOUVJKFVDMGBI-WCQYABFASA-N 1 0 396.322 2.152 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)Cn1ccnn1 ZINC000459707438 650430442 /nfs/dbraw/zinc/43/04/42/650430442.db2.gz WOGUAYDCVNRPQE-AWEZNQCLSA-N 1 0 377.242 2.451 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](CO)c1ccnn1C ZINC000459716889 650431241 /nfs/dbraw/zinc/43/12/41/650431241.db2.gz QEKLDYISMDOUQX-BXUZGUMPSA-N 1 0 381.274 2.223 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](CO)c1ccnn1C ZINC000459716890 650431262 /nfs/dbraw/zinc/43/12/62/650431262.db2.gz QEKLDYISMDOUQX-FZMZJTMJSA-N 1 0 381.274 2.223 20 0 GEADRO COCCN1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)C1 ZINC000459716776 650431287 /nfs/dbraw/zinc/43/12/87/650431287.db2.gz ZZWVYWDNJZXCHF-YOEHRIQHSA-N 1 0 389.309 2.050 20 0 GEADRO COCCN1CC[C@@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)C1 ZINC000459716772 650431303 /nfs/dbraw/zinc/43/13/03/650431303.db2.gz ZZWVYWDNJZXCHF-RHSMWYFYSA-N 1 0 389.309 2.050 20 0 GEADRO Cn1nccc1[C@H](CO)NCC(=O)Nc1ccc(Br)cc1Cl ZINC000459749292 650431796 /nfs/dbraw/zinc/43/17/96/650431796.db2.gz JPAGEKLFSODGPB-LBPRGKRZSA-N 1 0 387.665 2.098 20 0 GEADRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C12CCC2 ZINC000459780551 650432572 /nfs/dbraw/zinc/43/25/72/650432572.db2.gz XVZGCCUOYNSTNB-LSDHHAIUSA-N 1 0 386.901 2.229 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000504820949 650432582 /nfs/dbraw/zinc/43/25/82/650432582.db2.gz VADPJDKEPNNZFL-DIOULYMOSA-N 1 0 382.302 2.407 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000459859496 650434247 /nfs/dbraw/zinc/43/42/47/650434247.db2.gz IWOGDTHKTILMAV-UHFFFAOYSA-N 1 0 388.331 2.023 20 0 GEADRO COCC[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000505018480 650434365 /nfs/dbraw/zinc/43/43/65/650434365.db2.gz KUMZDFRDMUUBQL-WBVHZDCISA-N 1 0 390.311 2.437 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000505350770 650436874 /nfs/dbraw/zinc/43/68/74/650436874.db2.gz PTTWNFHWIRYJCQ-ZDUSSCGKSA-N 1 0 384.318 2.044 20 0 GEADRO COC(=O)CCNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000505474687 650438023 /nfs/dbraw/zinc/43/80/23/650438023.db2.gz SGLHEQARKQYFII-UHFFFAOYSA-N 1 0 383.286 2.487 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)Cc1cccc(Br)c1 ZINC000505804517 650441121 /nfs/dbraw/zinc/44/11/21/650441121.db2.gz BTMGDKJAYKPOKP-CQSZACIVSA-N 1 0 398.345 2.154 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000460276491 650441166 /nfs/dbraw/zinc/44/11/66/650441166.db2.gz NYTXFMFJCBHALA-OAHLLOKOSA-N 1 0 396.702 2.391 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000505812056 650441184 /nfs/dbraw/zinc/44/11/84/650441184.db2.gz KLOVXYHHDOXNST-HWWQOWPSSA-N 1 0 382.302 2.225 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000506005226 650442798 /nfs/dbraw/zinc/44/27/98/650442798.db2.gz RTZUAMSUWJDYOT-UHFFFAOYSA-N 1 0 398.320 2.326 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000461545816 650456438 /nfs/dbraw/zinc/45/64/38/650456438.db2.gz PNDWOROGKWUUDB-AWEZNQCLSA-N 1 0 389.949 2.197 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccncc2Br)C1 ZINC000507239758 650457081 /nfs/dbraw/zinc/45/70/81/650457081.db2.gz SRAKZTDGEVKYRV-ZDUSSCGKSA-N 1 0 385.306 2.231 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000461909504 650462370 /nfs/dbraw/zinc/46/23/70/650462370.db2.gz VOEHSLMXIQHSFA-LBPRGKRZSA-N 1 0 377.304 2.124 20 0 GEADRO C[C@H]1CSC[C@@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000507628449 650465275 /nfs/dbraw/zinc/46/52/75/650465275.db2.gz FFZKXLFYAIBXHF-FZMZJTMJSA-N 1 0 385.917 2.087 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)CC[NH+]2CCCC2)c(F)c1Cl ZINC000462295708 650473856 /nfs/dbraw/zinc/47/38/56/650473856.db2.gz NFADPWOHIQZJJB-UHFFFAOYSA-N 1 0 395.859 2.293 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000462346046 650476525 /nfs/dbraw/zinc/47/65/25/650476525.db2.gz BQTCMSFSGKLFJU-GJZGRUSLSA-N 1 0 385.302 2.212 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462395578 650477871 /nfs/dbraw/zinc/47/78/71/650477871.db2.gz MWXXDCNQGXPHNR-BLLLJJGKSA-N 1 0 399.276 2.304 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000462442411 650479542 /nfs/dbraw/zinc/47/95/42/650479542.db2.gz TZGNWAZGRFDIJJ-NWDGAFQWSA-N 1 0 376.320 2.385 20 0 GEADRO CSC1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CC[NH+](C)CC1 ZINC000462507825 650482180 /nfs/dbraw/zinc/48/21/80/650482180.db2.gz VJLUFCLYTSTRMI-QWHCGFSZSA-N 1 0 383.480 2.016 20 0 GEADRO C[C@H](CCc1ccsc1)[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000462788138 650490603 /nfs/dbraw/zinc/49/06/03/650490603.db2.gz DYVCPXOSWAFNAJ-OAHLLOKOSA-N 1 0 382.551 2.472 20 0 GEADRO COCCN1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000462835027 650490705 /nfs/dbraw/zinc/49/07/05/650490705.db2.gz CUVMGFOSBYYICU-YOEHRIQHSA-N 1 0 396.329 2.173 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000462874643 650491848 /nfs/dbraw/zinc/49/18/48/650491848.db2.gz QJGZHYNOYFLCJN-DGCLKSJQSA-N 1 0 398.301 2.304 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462890688 650492025 /nfs/dbraw/zinc/49/20/25/650492025.db2.gz CFNPILGNIFYNMM-XFBWCDHKSA-N 1 0 394.313 2.072 20 0 GEADRO C[C@@H]([NH2+]CCN1CCOCC1)c1ccc(Br)cc1OCCCO ZINC000463358059 650494020 /nfs/dbraw/zinc/49/40/20/650494020.db2.gz CWFFSMFYCXLVLI-CQSZACIVSA-N 1 0 387.318 2.193 20 0 GEADRO C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1ccc(Br)cc1OCCCO ZINC000463362719 650494223 /nfs/dbraw/zinc/49/42/23/650494223.db2.gz SZUVLOIHUZCJQY-GFCCVEGCSA-N 1 0 399.285 2.010 20 0 GEADRO NC(=O)[C@H]([NH2+]CCOc1ccc(I)cc1)c1ccccc1 ZINC000509504649 650494909 /nfs/dbraw/zinc/49/49/09/650494909.db2.gz BOVBKRSNQBBZBQ-OAHLLOKOSA-N 1 0 396.228 2.486 20 0 GEADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)N(C)CCOC)c1ccc(Cl)cc1 ZINC000509625082 650497430 /nfs/dbraw/zinc/49/74/30/650497430.db2.gz XEPQYVPOSQFLLW-INIZCTEOSA-N 1 0 377.938 2.136 20 0 GEADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1ccc(Cl)cc1 ZINC000509621310 650497386 /nfs/dbraw/zinc/49/73/86/650497386.db2.gz LFCAKJNUEXIFCR-XJKSGUPXSA-N 1 0 389.949 2.119 20 0 GEADRO COc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1I ZINC000509667543 650498613 /nfs/dbraw/zinc/49/86/13/650498613.db2.gz AHZSIOCYTYQIIH-GHMZBOCLSA-N 1 0 388.249 2.464 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)CC[N@@H+]1C ZINC000465711930 650499210 /nfs/dbraw/zinc/49/92/10/650499210.db2.gz HGJVOWXCGWHWBR-JQWIXIFHSA-N 1 0 384.274 2.460 20 0 GEADRO C[C@H](Oc1ccc(I)cc1)C(=O)NCC[NH+]1CCCC1 ZINC000466987610 650500658 /nfs/dbraw/zinc/50/06/58/650500658.db2.gz VNIMTBWXMDXYRG-LBPRGKRZSA-N 1 0 388.249 2.271 20 0 GEADRO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H](C)S(C)(=O)=O ZINC000468085589 650503695 /nfs/dbraw/zinc/50/36/95/650503695.db2.gz JHAGZCARBKJJTJ-GJZGRUSLSA-N 1 0 384.567 2.286 20 0 GEADRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000510366138 650510828 /nfs/dbraw/zinc/51/08/28/650510828.db2.gz DPSMBMVPPDSDKC-NUEKZKHPSA-N 1 0 389.587 2.211 20 0 GEADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1cccc(Br)c1 ZINC000510096256 650506673 /nfs/dbraw/zinc/50/66/73/650506673.db2.gz AGOSIILWURQGGJ-SNVBAGLBSA-N 1 0 399.318 2.117 20 0 GEADRO CSc1cc(Br)ccc1C[N@H+](CCO)CCN1CCOCC1 ZINC000510184026 650508012 /nfs/dbraw/zinc/50/80/12/650508012.db2.gz IKDOKPICYUSGMR-UHFFFAOYSA-N 1 0 389.359 2.298 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(Br)cn1 ZINC000470615368 650514282 /nfs/dbraw/zinc/51/42/82/650514282.db2.gz VTGCIHCUSPDIEE-JHJVBQTASA-N 1 0 390.347 2.489 20 0 GEADRO COc1cc(S(=O)(=O)N(C)CC[NH+]2CCCC2)ccc1Br ZINC000474080012 650526715 /nfs/dbraw/zinc/52/67/15/650526715.db2.gz KMRRSOUFHQKCLK-UHFFFAOYSA-N 1 0 377.304 2.174 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)c1ccc(Br)cc1 ZINC000511120414 650526745 /nfs/dbraw/zinc/52/67/45/650526745.db2.gz KVUUTKKMRKAEJV-OAHLLOKOSA-N 1 0 383.286 2.201 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)c1ccc(Br)cc1 ZINC000511120413 650526759 /nfs/dbraw/zinc/52/67/59/650526759.db2.gz KVUUTKKMRKAEJV-HNNXBMFYSA-N 1 0 383.286 2.201 20 0 GEADRO C[C@H](CNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1)[NH+](C)C ZINC000511290131 650532322 /nfs/dbraw/zinc/53/23/22/650532322.db2.gz XWUCDIZPJKVSPI-CYBMUJFWSA-N 1 0 387.571 2.429 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000511304970 650532841 /nfs/dbraw/zinc/53/28/41/650532841.db2.gz JMYRKAUHJXUWIE-UHFFFAOYSA-N 1 0 387.914 2.380 20 0 GEADRO C[C@@](CO)([NH2+]C[C@@H](O)COCc1ccco1)c1ccc(Br)cc1 ZINC000511552101 650538574 /nfs/dbraw/zinc/53/85/74/650538574.db2.gz FYQLUKMSCLKKSO-WBVHZDCISA-N 1 0 384.270 2.417 20 0 GEADRO COc1ccc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000512046565 650544635 /nfs/dbraw/zinc/54/46/35/650544635.db2.gz UMJVEKZNLSZFOJ-AWEZNQCLSA-N 1 0 384.318 2.135 20 0 GEADRO COCCCS(=O)(=O)NCC[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000475872413 650541416 /nfs/dbraw/zinc/54/14/16/650541416.db2.gz BKQTWWICMUQBMM-UHFFFAOYSA-N 1 0 382.448 2.486 20 0 GEADRO COc1cccc(CC[NH2+]Cc2ncc(I)s2)n1 ZINC000512016475 650543930 /nfs/dbraw/zinc/54/39/30/650543930.db2.gz SAXALLJHNYWQLU-UHFFFAOYSA-N 1 0 375.235 2.484 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(Br)cc2F)CCSC1 ZINC000476316789 650548176 /nfs/dbraw/zinc/54/81/76/650548176.db2.gz CGJVYJUTPZYHDQ-CYBMUJFWSA-N 1 0 397.335 2.304 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN2CCN(C)c3cc(Br)ccc32)CC1 ZINC000512419849 650548146 /nfs/dbraw/zinc/54/81/46/650548146.db2.gz DGYNOPQBCSPQAT-UHFFFAOYSA-N 1 0 395.345 2.306 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000512426105 650548476 /nfs/dbraw/zinc/54/84/76/650548476.db2.gz GQQUCEXQTSEJEG-LBPRGKRZSA-N 1 0 389.363 2.288 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)CC1 ZINC000512438673 650548769 /nfs/dbraw/zinc/54/87/69/650548769.db2.gz IFYHFBKYRDDCTJ-SIWZUTFBSA-N 1 0 386.945 2.177 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000512442290 650549177 /nfs/dbraw/zinc/54/91/77/650549177.db2.gz WVYVBTGDDFSYGQ-LBPRGKRZSA-N 1 0 387.311 2.411 20 0 GEADRO CCOc1cccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000512546286 650550420 /nfs/dbraw/zinc/55/04/20/650550420.db2.gz BSUADUUVBRXYDC-CQSZACIVSA-N 1 0 381.523 2.342 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000512120263 650545660 /nfs/dbraw/zinc/54/56/60/650545660.db2.gz FUUIXKXELSQXGM-XJKCOSOUSA-N 1 0 381.929 2.406 20 0 GEADRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000512150074 650546051 /nfs/dbraw/zinc/54/60/51/650546051.db2.gz UGICEPRUUAQPDC-SUMWQHHRSA-N 1 0 385.936 2.464 20 0 GEADRO C[C@H](CNC(=O)C1(c2cc(F)cc(Br)c2)CC1)N1CC[NH+](C)CC1 ZINC000512320128 650546478 /nfs/dbraw/zinc/54/64/78/650546478.db2.gz AAZMYEGEOMXTFQ-CYBMUJFWSA-N 1 0 398.320 2.372 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cscc2Br)CC1 ZINC000512331162 650546607 /nfs/dbraw/zinc/54/66/07/650546607.db2.gz ZCSXSXBYVAJHTL-UHFFFAOYSA-N 1 0 388.331 2.041 20 0 GEADRO OCC1([NH2+]C[C@@H](O)COc2ccc(Br)cc2)Cc2ccccc2C1 ZINC000512330781 650546625 /nfs/dbraw/zinc/54/66/25/650546625.db2.gz GFTQUVLYFNJTNQ-QGZVFWFLSA-N 1 0 392.293 2.308 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)C1=Cc2cc(Br)ccc2OC1 ZINC000512394215 650547566 /nfs/dbraw/zinc/54/75/66/650547566.db2.gz AANRAJVMVYLAMH-MRXNPFEDSA-N 1 0 395.297 2.188 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2CCSC2)[C@H]1c1cccs1 ZINC000512774667 650554157 /nfs/dbraw/zinc/55/41/57/650554157.db2.gz YYVCXHRPGWFLST-LZWOXQAQSA-N 1 0 381.567 2.117 20 0 GEADRO C=Cn1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000512858633 650555343 /nfs/dbraw/zinc/55/53/43/650555343.db2.gz YAZPJWKKJPSONP-UHFFFAOYSA-N 1 0 375.281 2.359 20 0 GEADRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(Br)cn1 ZINC000476602046 650555420 /nfs/dbraw/zinc/55/54/20/650555420.db2.gz LPMJPUNUWOTZIR-LBPRGKRZSA-N 1 0 376.320 2.387 20 0 GEADRO CCN1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000512869186 650555469 /nfs/dbraw/zinc/55/54/69/650555469.db2.gz OPAUNXPTYHKNHH-DGCLKSJQSA-N 1 0 380.341 2.202 20 0 GEADRO COCCOc1cc2c(cc1C[NH2+]CCn1cc(Br)cn1)OCO2 ZINC000513001779 650556135 /nfs/dbraw/zinc/55/61/35/650556135.db2.gz NDLZUJZUAFKUBV-UHFFFAOYSA-N 1 0 398.257 2.189 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C[C@H](C)[N@H+]1C ZINC000513075947 650557702 /nfs/dbraw/zinc/55/77/02/650557702.db2.gz MUZUUHQCDIVRII-WDMOLILDSA-N 1 0 380.286 2.426 20 0 GEADRO O=C(Cn1cc(Br)cn1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513274074 650560753 /nfs/dbraw/zinc/56/07/53/650560753.db2.gz PBADFKMYQRHCGQ-MRXNPFEDSA-N 1 0 377.286 2.426 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000477116342 650569120 /nfs/dbraw/zinc/56/91/20/650569120.db2.gz OSPOKGTWDOGIPS-CABCVRRESA-N 1 0 376.494 2.474 20 0 GEADRO COc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513962986 650572210 /nfs/dbraw/zinc/57/22/10/650572210.db2.gz IZAXUVHCSHHBGZ-LBPRGKRZSA-N 1 0 391.331 2.171 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000477298138 650573727 /nfs/dbraw/zinc/57/37/27/650573727.db2.gz KJFANYGOBQCGPA-LBPRGKRZSA-N 1 0 382.302 2.155 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000514726612 650577927 /nfs/dbraw/zinc/57/79/27/650577927.db2.gz XLQZHLBRTKIHGY-WDEREUQCSA-N 1 0 397.324 2.376 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)COc1ccc(I)cc1 ZINC000514855492 650580919 /nfs/dbraw/zinc/58/09/19/650580919.db2.gz GWWLVVAABUMPEL-HFAKWTLXSA-N 1 0 388.249 2.173 20 0 GEADRO Cc1cc(SCC(=O)NC[C@@H]2C[NH2+]CCN2C)c(C)cc1Br ZINC000514932038 650583576 /nfs/dbraw/zinc/58/35/76/650583576.db2.gz ONQAAOBGRQQYGL-ZDUSSCGKSA-N 1 0 386.359 2.178 20 0 GEADRO C[N@H+](C[C@H](O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000515101173 650586742 /nfs/dbraw/zinc/58/67/42/650586742.db2.gz VQLLVXKQPKEXNH-YVEFUNNKSA-N 1 0 386.279 2.216 20 0 GEADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cccc(O)c2Br)NC(=O)NC1=O ZINC000515042843 650585632 /nfs/dbraw/zinc/58/56/32/650585632.db2.gz YNRDWYRIGQUARW-ZBEGNZNMSA-N 1 0 382.258 2.107 20 0 GEADRO C[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(Br)cn1 ZINC000515106931 650586893 /nfs/dbraw/zinc/58/68/93/650586893.db2.gz CMZCMRDFUWSNRH-AWEZNQCLSA-N 1 0 391.317 2.107 20 0 GEADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000515165149 650587957 /nfs/dbraw/zinc/58/79/57/650587957.db2.gz ZULFWZPQPSCTGU-MEDUHNTESA-N 1 0 382.291 2.089 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000515176216 650588740 /nfs/dbraw/zinc/58/87/40/650588740.db2.gz DETOOHBASRFBJX-VQISRLSMSA-N 1 0 378.416 2.462 20 0 GEADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000515247850 650590371 /nfs/dbraw/zinc/59/03/71/650590371.db2.gz QJSFGWVINSTLQM-UHFFFAOYSA-N 1 0 391.921 2.317 20 0 GEADRO O=C([C@H]1CCCC[NH2+]1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000515302797 650591451 /nfs/dbraw/zinc/59/14/51/650591451.db2.gz JVVDRIDVTYKKQJ-MRXNPFEDSA-N 1 0 384.293 2.375 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)NCC[C@H]1CCC[NH2+]C1 ZINC000515346693 650591991 /nfs/dbraw/zinc/59/19/91/650591991.db2.gz VGAZQGOBLDOZLB-GFCCVEGCSA-N 1 0 383.286 2.269 20 0 GEADRO C[C@H]([NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000515367569 650592678 /nfs/dbraw/zinc/59/26/78/650592678.db2.gz MVQZKTSRIVTMLC-WNMQOVRZSA-N 1 0 388.892 2.212 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000479053034 650595048 /nfs/dbraw/zinc/59/50/48/650595048.db2.gz YMLJRWUFRRKXTE-NEPJUHHUSA-N 1 0 384.307 2.394 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479093448 650596156 /nfs/dbraw/zinc/59/61/56/650596156.db2.gz HVGGJULVVLVRJL-OLZOCXBDSA-N 1 0 384.307 2.347 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000516326098 650596381 /nfs/dbraw/zinc/59/63/81/650596381.db2.gz CPLSVSHTAQAMLF-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000516568477 650599154 /nfs/dbraw/zinc/59/91/54/650599154.db2.gz GXNHPSKLRYTAMR-NSHDSACASA-N 1 0 375.803 2.205 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)CCC(=O)c1ccc(I)cc1 ZINC000479325658 650601257 /nfs/dbraw/zinc/60/12/57/650601257.db2.gz OFQMFZHJEHMDCE-LLVKDONJSA-N 1 0 388.249 2.368 20 0 GEADRO C[C@@H](CNC(=O)NCCCn1cc(Br)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000479381105 650602127 /nfs/dbraw/zinc/60/21/27/650602127.db2.gz JJMARDPPAOTPCN-KGLIPLIRSA-N 1 0 386.338 2.455 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000479377958 650602169 /nfs/dbraw/zinc/60/21/69/650602169.db2.gz LNZDGGLWEGKKDZ-INIZCTEOSA-N 1 0 388.961 2.316 20 0 GEADRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479459075 650604133 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CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000519729350 650611580 /nfs/dbraw/zinc/61/15/80/650611580.db2.gz YQSNCWHOWIOBDL-UHFFFAOYSA-N 1 0 377.819 2.333 20 0 GEADRO O=S1(=O)CC[C@H](C[NH2+]C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000519740839 650612405 /nfs/dbraw/zinc/61/24/05/650612405.db2.gz CKNDFRABBGUWAC-CYBMUJFWSA-N 1 0 388.327 2.479 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)COc1ccc(Br)cc1F ZINC000520524995 650615025 /nfs/dbraw/zinc/61/50/25/650615025.db2.gz DUBQOEYNDCDKOZ-UHFFFAOYSA-N 1 0 377.254 2.004 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000480110851 650615871 /nfs/dbraw/zinc/61/58/71/650615871.db2.gz BXXQQJRWIYOVCH-UHFFFAOYSA-N 1 0 386.283 2.272 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000520747180 650616138 /nfs/dbraw/zinc/61/61/38/650616138.db2.gz OORPUVZXPJPKTA-RKVPGOIHSA-N 1 0 385.346 2.394 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000521446687 650617561 /nfs/dbraw/zinc/61/75/61/650617561.db2.gz KJQYTIDFRFWJTI-UHFFFAOYSA-N 1 0 382.507 2.437 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000521672640 650618510 /nfs/dbraw/zinc/61/85/10/650618510.db2.gz QEQOPQXNSOXXJG-CYBMUJFWSA-N 1 0 380.901 2.466 20 0 GEADRO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)nnn1-c1cccc(Cl)c1 ZINC000480251369 650618478 /nfs/dbraw/zinc/61/84/78/650618478.db2.gz BWPWWRKBCKVBJT-KRWDZBQOSA-N 1 0 379.917 2.396 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC3CC[NH+](C)CC3)ccc2s1 ZINC000480300163 650619381 /nfs/dbraw/zinc/61/93/81/650619381.db2.gz HMSTUERAYCRQHK-UHFFFAOYSA-N 1 0 382.507 2.451 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000480446993 650622383 /nfs/dbraw/zinc/62/23/83/650622383.db2.gz SONWRIZMKNTVRR-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000522150548 650622748 /nfs/dbraw/zinc/62/27/48/650622748.db2.gz MGIHVJAIOZJVGW-LLVKDONJSA-N 1 0 378.270 2.362 20 0 GEADRO O=C1CCc2cc(OC[C@@H](O)C[NH2+]Cc3ccc(Br)o3)ccc2N1 ZINC000480652976 650626825 /nfs/dbraw/zinc/62/68/25/650626825.db2.gz NZRGQSYPUHSZSX-LBPRGKRZSA-N 1 0 395.253 2.456 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000480734917 650630141 /nfs/dbraw/zinc/63/01/41/650630141.db2.gz FALBRDRSDFELKM-RHSMWYFYSA-N 1 0 380.330 2.276 20 0 GEADRO CC(C)(CNS(=O)(=O)c1cncc(Br)c1)C[NH+]1CCCC1 ZINC000480764992 650631314 /nfs/dbraw/zinc/63/13/14/650631314.db2.gz YNUFPDJMRQIQBI-UHFFFAOYSA-N 1 0 376.320 2.244 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000480855822 650634847 /nfs/dbraw/zinc/63/48/47/650634847.db2.gz JFSIAZSXFVJKSM-XPTSAGLGSA-N 1 0 377.279 2.349 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000524620711 650644011 /nfs/dbraw/zinc/64/40/11/650644011.db2.gz CIYFRLMBYASNFS-UHFFFAOYSA-N 1 0 396.329 2.051 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000525293390 650653012 /nfs/dbraw/zinc/65/30/12/650653012.db2.gz VABOZFJFLOJEIO-JTQLQIEISA-N 1 0 398.248 2.239 20 0 GEADRO C[C@H](OC[C@@H](O)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000524893432 650648050 /nfs/dbraw/zinc/64/80/50/650648050.db2.gz RXJNJXYUZLYAOA-ZQIUZPCESA-N 1 0 375.918 2.145 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)COc2ccc(I)cc2)C1 ZINC000525291722 650653086 /nfs/dbraw/zinc/65/30/86/650653086.db2.gz PAIKHSHBFAUVIZ-LBPRGKRZSA-N 1 0 388.249 2.128 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000524970235 650648852 /nfs/dbraw/zinc/64/88/52/650648852.db2.gz UOEZPKARYZWWSV-OKILXGFUSA-N 1 0 381.318 2.366 20 0 GEADRO C[NH+]1CCC(CCNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000525174411 650650698 /nfs/dbraw/zinc/65/06/98/650650698.db2.gz NFACHTVTTDVMAZ-UHFFFAOYSA-N 1 0 385.917 2.235 20 0 GEADRO CC[N@H+](CC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1)C1CC1 ZINC000481746417 650651908 /nfs/dbraw/zinc/65/19/08/650651908.db2.gz FRTIYOFXFOZWKM-UHFFFAOYSA-N 1 0 392.301 2.473 20 0 GEADRO CC1CCN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000482144824 650660969 /nfs/dbraw/zinc/66/09/69/650660969.db2.gz WNTIUXHRQRMTPA-UHFFFAOYSA-N 1 0 375.604 2.304 20 0 GEADRO CC[C@H]([NH2+]C[C@@]1(OC)CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481994783 650658038 /nfs/dbraw/zinc/65/80/38/650658038.db2.gz XZNOIXPKDYOJAZ-HOCLYGCPSA-N 1 0 376.906 2.094 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000525805906 650658094 /nfs/dbraw/zinc/65/80/94/650658094.db2.gz UJSSPSNJGQJLNQ-CYBMUJFWSA-N 1 0 382.302 2.027 20 0 GEADRO CC[C@H]([NH2+]C[C@]1(OC)CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481994781 650658093 /nfs/dbraw/zinc/65/80/93/650658093.db2.gz XZNOIXPKDYOJAZ-GOEBONIOSA-N 1 0 376.906 2.094 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000525838999 650658636 /nfs/dbraw/zinc/65/86/36/650658636.db2.gz JYXDSTVYRNMHAS-CYBMUJFWSA-N 1 0 382.302 2.462 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000525850371 650659558 /nfs/dbraw/zinc/65/95/58/650659558.db2.gz SRWDIJNHCCCLMC-HOTGVXAUSA-N 1 0 382.302 2.327 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000526838369 650664666 /nfs/dbraw/zinc/66/46/66/650664666.db2.gz YBZBIDHALNPWEW-UHFFFAOYSA-N 1 0 394.317 2.083 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCSCC1 ZINC000527232414 650671837 /nfs/dbraw/zinc/67/18/37/650671837.db2.gz PBJLQQDNWMRWGO-CYBMUJFWSA-N 1 0 390.596 2.390 20 0 GEADRO CC(C)C[C@](C)([NH2+]CC(=O)N1CCNC(=O)C1)c1cccc(Br)c1 ZINC000483054609 650674121 /nfs/dbraw/zinc/67/41/21/650674121.db2.gz WGXGFZTYXGFMCY-SFHVURJKSA-N 1 0 396.329 2.258 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483352003 650677275 /nfs/dbraw/zinc/67/72/75/650677275.db2.gz JKRPSVLXNGMYON-LSDHHAIUSA-N 1 0 396.329 2.397 20 0 GEADRO CS[C@H]1CN(C(=O)c2cnn(CCC(F)(F)F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483393856 650678200 /nfs/dbraw/zinc/67/82/00/650678200.db2.gz KLUJWPFYQQOBLX-KBPBESRZSA-N 1 0 376.448 2.487 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000483940538 650683320 /nfs/dbraw/zinc/68/33/20/650683320.db2.gz DHFRQTKUHSOZPB-GHMZBOCLSA-N 1 0 386.265 2.434 20 0 GEADRO CCSCc1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000483955686 650683533 /nfs/dbraw/zinc/68/35/33/650683533.db2.gz BOPWRHTUIUCALM-GOSISDBHSA-N 1 0 381.567 2.432 20 0 GEADRO NC(=O)[C@](O)(CN1CCc2ccc(F)c(Br)c2C1)c1ccccc1 ZINC000527623763 650680999 /nfs/dbraw/zinc/68/09/99/650680999.db2.gz AXTVDDIVGMXFAE-SFHVURJKSA-N 1 0 393.256 2.319 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1Br ZINC000483959203 650683685 /nfs/dbraw/zinc/68/36/85/650683685.db2.gz LJXNIONUXYRCGC-JQWIXIFHSA-N 1 0 386.265 2.434 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000483829774 650682292 /nfs/dbraw/zinc/68/22/92/650682292.db2.gz BFFDUEMAQVRUNN-IRXDYDNUSA-N 1 0 382.917 2.476 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000527756148 650682348 /nfs/dbraw/zinc/68/23/48/650682348.db2.gz XCFDYKMVMQNBKP-SFHVURJKSA-N 1 0 399.329 2.163 20 0 GEADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cc(Br)ccc1F ZINC000527756267 650682646 /nfs/dbraw/zinc/68/26/46/650682646.db2.gz YUFULNFATMZEEI-QGZVFWFLSA-N 1 0 387.293 2.294 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000483927131 650683053 /nfs/dbraw/zinc/68/30/53/650683053.db2.gz DWPHGPCEMYYOTP-INIZCTEOSA-N 1 0 381.929 2.197 20 0 GEADRO O=C(c1cc(O)cc(Br)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000528278084 650687422 /nfs/dbraw/zinc/68/74/22/650687422.db2.gz KJPGNSSLVFJVNW-INIZCTEOSA-N 1 0 383.286 2.482 20 0 GEADRO CS[C@H]1CN(CC(=O)Nc2nnc(CC(C)C)s2)C[C@@H]1[NH+]1CCCC1 ZINC000484614748 650687725 /nfs/dbraw/zinc/68/77/25/650687725.db2.gz GYYYHSPQXODQGV-KBPBESRZSA-N 1 0 383.587 2.187 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000484620464 650687861 /nfs/dbraw/zinc/68/78/61/650687861.db2.gz PECXMLPQZWLKDY-DJSGYFEHSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000528304260 650687874 /nfs/dbraw/zinc/68/78/74/650687874.db2.gz VOXFSSPSBOCMMD-VXGBXAGGSA-N 1 0 382.452 2.085 20 0 GEADRO CS[C@@H]1CN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@@H]1[NH+]1CCCC1 ZINC000484644069 650688444 /nfs/dbraw/zinc/68/84/44/650688444.db2.gz UIHFTKSEOHTWLI-QLFBSQMISA-N 1 0 379.492 2.299 20 0 GEADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H]3C[C@@]3(C)Br)cc21 ZINC000528311212 650688544 /nfs/dbraw/zinc/68/85/44/650688544.db2.gz KZEVYULWDKAGCU-BDJLRTHQSA-N 1 0 382.258 2.268 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000484711834 650689013 /nfs/dbraw/zinc/68/90/13/650689013.db2.gz ZSYADWXLMQJZHB-GFCCVEGCSA-N 1 0 380.290 2.190 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000528341331 650689267 /nfs/dbraw/zinc/68/92/67/650689267.db2.gz MYEMFYVIAZRAJC-UHFFFAOYSA-N 1 0 396.460 2.253 20 0 GEADRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527977644 650684060 /nfs/dbraw/zinc/68/40/60/650684060.db2.gz JQDZCWRFLIXQMX-FZQKWOKYSA-N 1 0 377.304 2.315 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484112421 650685227 /nfs/dbraw/zinc/68/52/27/650685227.db2.gz HKMPMRAOZYIMDO-XEZPLFJOSA-N 1 0 396.329 2.399 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528690113 650698145 /nfs/dbraw/zinc/69/81/45/650698145.db2.gz RLKVBLLGFZSZOU-GFCCVEGCSA-N 1 0 391.273 2.436 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000485194494 650694190 /nfs/dbraw/zinc/69/41/90/650694190.db2.gz IAXIUBSAKMFYDX-OCCSQVGLSA-N 1 0 385.917 2.261 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000485618460 650698248 /nfs/dbraw/zinc/69/82/48/650698248.db2.gz ZATFAADXZCGPGF-SNVBAGLBSA-N 1 0 379.452 2.372 20 0 GEADRO COc1cc(C(=O)NCCNc2cc[nH+]cc2)cc(Br)c1OC ZINC000485630369 650698270 /nfs/dbraw/zinc/69/82/70/650698270.db2.gz LPAJRQWCTBQSKQ-UHFFFAOYSA-N 1 0 380.242 2.125 20 0 GEADRO C[C@]1(Br)C[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000528915227 650699115 /nfs/dbraw/zinc/69/91/15/650699115.db2.gz IUWWPHPPBIKTPS-CBZIJGRNSA-N 1 0 381.314 2.159 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000485771101 650700085 /nfs/dbraw/zinc/70/00/85/650700085.db2.gz PNFNKNLCPGITEA-SCZZXKLOSA-N 1 0 375.782 2.215 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000485849502 650701300 /nfs/dbraw/zinc/70/13/00/650701300.db2.gz VLRDDHPHOXAZTC-SJORKVTESA-N 1 0 384.307 2.283 20 0 GEADRO O=C(c1cc(O)cc(Br)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000529278481 650702360 /nfs/dbraw/zinc/70/23/60/650702360.db2.gz LZSCZTFFANGTEH-ZDUSSCGKSA-N 1 0 383.286 2.339 20 0 GEADRO O=C(c1cc(O)cc(Br)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000529292617 650702442 /nfs/dbraw/zinc/70/24/42/650702442.db2.gz LZSCZTFFANGTEH-CYBMUJFWSA-N 1 0 383.286 2.339 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000529321553 650702719 /nfs/dbraw/zinc/70/27/19/650702719.db2.gz IWZRKAMHLYSEDZ-KBPBESRZSA-N 1 0 387.311 2.250 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N(CCO)Cc1cc(Br)cs1 ZINC000529354050 650703528 /nfs/dbraw/zinc/70/35/28/650703528.db2.gz STMKYVHYNHLDHR-CYBMUJFWSA-N 1 0 388.331 2.299 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CC(F)(F)C1 ZINC000529536931 650703851 /nfs/dbraw/zinc/70/38/51/650703851.db2.gz AOICWZCQHHWGLE-NSHDSACASA-N 1 0 380.482 2.292 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529721872 650705106 /nfs/dbraw/zinc/70/51/06/650705106.db2.gz ZSBYVAIGGCEMJR-CQSZACIVSA-N 1 0 385.555 2.135 20 0 GEADRO CC(C)(CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(Br)c1 ZINC000486046813 650706236 /nfs/dbraw/zinc/70/62/36/650706236.db2.gz TVVHQBQLQIZVIH-MRXNPFEDSA-N 1 0 380.330 2.233 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000529910737 650709323 /nfs/dbraw/zinc/70/93/23/650709323.db2.gz JAWYNFDOFBLYOK-UHFFFAOYSA-N 1 0 383.286 2.482 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000486362810 650712370 /nfs/dbraw/zinc/71/23/70/650712370.db2.gz VZJZOGDLEVMYNO-KOLCDFICSA-N 1 0 379.404 2.213 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1COCCN1 ZINC000530180552 650717182 /nfs/dbraw/zinc/71/71/82/650717182.db2.gz CPOOPIBQNMKXSZ-NSHDSACASA-N 1 0 394.107 2.298 20 0 GEADRO C[NH+](C)C[C@H](c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](O)CCCN2C1=O ZINC000530215388 650718572 /nfs/dbraw/zinc/71/85/72/650718572.db2.gz WNRZVKJZBGQVIE-ILXRZTDVSA-N 1 0 386.279 2.384 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000530353508 650722736 /nfs/dbraw/zinc/72/27/36/650722736.db2.gz ARLHCLBHMWRTFG-WFASDCNBSA-N 1 0 392.290 2.443 20 0 GEADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000486807760 650722777 /nfs/dbraw/zinc/72/27/77/650722777.db2.gz AGLZKKLZKXNRIC-SJORKVTESA-N 1 0 375.579 2.063 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000530383374 650724498 /nfs/dbraw/zinc/72/44/98/650724498.db2.gz ZRNPSXFBNYMNOM-OCCSQVGLSA-N 1 0 385.295 2.492 20 0 GEADRO CCc1nncn1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000530545582 650726161 /nfs/dbraw/zinc/72/61/61/650726161.db2.gz NIQKSCCOGZVTTM-UHFFFAOYSA-N 1 0 394.317 2.229 20 0 GEADRO CC[C@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)[NH+](CC)CC ZINC000530569147 650726969 /nfs/dbraw/zinc/72/69/69/650726969.db2.gz ATSPULMOZQWEDG-OAHLLOKOSA-N 1 0 384.318 2.416 20 0 GEADRO O=C(Cn1cc(Br)cn1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487087232 650727459 /nfs/dbraw/zinc/72/74/59/650727459.db2.gz NPZPWLKYIGXDGJ-MRXNPFEDSA-N 1 0 391.313 2.326 20 0 GEADRO C[C@@H]1Cc2cc(S(=O)(=O)NC[C@]3([NH+](C)C)CCSC3)cc(Cl)c2O1 ZINC000530891242 650730444 /nfs/dbraw/zinc/73/04/44/650730444.db2.gz FHIJQBVAPMCTEJ-BDJLRTHQSA-N 1 0 390.958 2.379 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)s1)c1ccc(Cl)cc1 ZINC000531305795 650736607 /nfs/dbraw/zinc/73/66/07/650736607.db2.gz GACUUHKSQIKIFX-LBPRGKRZSA-N 1 0 387.914 2.082 20 0 GEADRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1c(Br)cnn1C ZINC000487296368 650732373 /nfs/dbraw/zinc/73/23/73/650732373.db2.gz IVAGLWAJGDARGV-HNNXBMFYSA-N 1 0 392.345 2.483 20 0 GEADRO Cc1ccc(Sc2nsc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)n2)cc1 ZINC000487325357 650732861 /nfs/dbraw/zinc/73/28/61/650732861.db2.gz WSQWPFOSZBAQLH-CQSZACIVSA-N 1 0 375.523 2.326 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000531023577 650733416 /nfs/dbraw/zinc/73/34/16/650733416.db2.gz UUGDDGFSWMNVJU-UHFFFAOYSA-N 1 0 390.272 2.485 20 0 GEADRO C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CCOCC1 ZINC000531104580 650734991 /nfs/dbraw/zinc/73/49/91/650734991.db2.gz JRCAVGNOQHRBMF-UHFFFAOYSA-N 1 0 387.311 2.148 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)CC[NH+]1CCCC1 ZINC000487530378 650735187 /nfs/dbraw/zinc/73/51/87/650735187.db2.gz AWZOHKVNBYSCPZ-CYBMUJFWSA-N 1 0 382.302 2.122 20 0 GEADRO CC[NH+]1CCC(NC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000487543772 650735388 /nfs/dbraw/zinc/73/53/88/650735388.db2.gz UQDSYTJHKXBHBU-HNNXBMFYSA-N 1 0 388.281 2.405 20 0 GEADRO COc1ccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1I ZINC000531655579 650741954 /nfs/dbraw/zinc/74/19/54/650741954.db2.gz HVYXDULEHPRKBP-NSHDSACASA-N 1 0 388.249 2.371 20 0 GEADRO O=C(NCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F)c1cnccn1 ZINC000532219902 650746273 /nfs/dbraw/zinc/74/62/73/650746273.db2.gz YIAJPYBGKKQUGF-CQSZACIVSA-N 1 0 379.233 2.385 20 0 GEADRO C[NH+](C)CCNC(=S)NNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000016270514 642387221 /nfs/dbraw/zinc/38/72/21/642387221.db2.gz FGBDXHNXDQIBAE-UHFFFAOYSA-N 1 0 379.527 2.228 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000532448935 650747945 /nfs/dbraw/zinc/74/79/45/650747945.db2.gz WJUWVPJYUMUORD-ZDUSSCGKSA-N 1 0 377.432 2.453 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)N2CCC3(CCCCC3)CC2)CCSC1 ZINC000532476798 650748093 /nfs/dbraw/zinc/74/80/93/650748093.db2.gz MUUTWWYYKWAMOV-QGZVFWFLSA-N 1 0 375.604 2.304 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCO[C@H](C)C1 ZINC000532485061 650748684 /nfs/dbraw/zinc/74/86/84/650748684.db2.gz LWISKEXQCQFJAJ-UONOGXRCSA-N 1 0 384.318 2.477 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CSc1nnnn1C1CCCC1)c1ccsc1 ZINC000025815857 642428925 /nfs/dbraw/zinc/42/89/25/642428925.db2.gz AJQPLKJKLZYWON-CQSZACIVSA-N 1 0 380.543 2.361 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1csc(I)c1 ZINC000609345477 651616635 /nfs/dbraw/zinc/61/66/35/651616635.db2.gz MTELNVOJTALCDH-UHFFFAOYSA-N 1 0 382.267 2.003 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000027746863 642441920 /nfs/dbraw/zinc/44/19/20/642441920.db2.gz IASKWXVHSDYXKU-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2c(C)nc3ccccn32)c(C)s1 ZINC000532931365 650755126 /nfs/dbraw/zinc/75/51/26/650755126.db2.gz OMIBOLQFRKCBDL-UHFFFAOYSA-N 1 0 378.523 2.389 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000489261909 650756579 /nfs/dbraw/zinc/75/65/79/650756579.db2.gz IOBCNFUHPSPOJH-GOSISDBHSA-N 1 0 397.313 2.133 20 0 GEADRO CC[NH+]1CCC(NC(=O)COc2ccccc2I)CC1 ZINC000031657148 642488777 /nfs/dbraw/zinc/48/87/77/642488777.db2.gz BQRYQYUIZQJTQR-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO O=S(=O)(NC1CC[NH2+]CC1)c1ccc(Br)cc1Br ZINC000037574251 642514611 /nfs/dbraw/zinc/51/46/11/642514611.db2.gz NTXMSGMFIXJMFJ-UHFFFAOYSA-N 1 0 398.120 2.242 20 0 GEADRO CS(=O)(=O)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000038047473 642516112 /nfs/dbraw/zinc/51/61/12/642516112.db2.gz WPRKQABRGSMGIP-UHFFFAOYSA-N 1 0 378.288 2.135 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccccc2Br)C[C@@H](C)O1 ZINC000041275462 642528112 /nfs/dbraw/zinc/52/81/12/642528112.db2.gz QWYLATXLPICDIU-CHWSQXEVSA-N 1 0 398.301 2.003 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccccc2Br)C[C@H](C)O1 ZINC000041275461 642528214 /nfs/dbraw/zinc/52/82/14/642528214.db2.gz QWYLATXLPICDIU-STQMWFEESA-N 1 0 398.301 2.003 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000041324377 642529666 /nfs/dbraw/zinc/52/96/66/642529666.db2.gz XJHRMBCROWDUIS-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO O=C(CC[NH+]1CCC(OCCO)CC1)Nc1ccc(Br)cc1F ZINC000533801277 650765839 /nfs/dbraw/zinc/76/58/39/650765839.db2.gz WRUCGGVOWQSABA-UHFFFAOYSA-N 1 0 389.265 2.390 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)CCc1ccc(OC)c(Br)c1 ZINC000041967649 642537295 /nfs/dbraw/zinc/53/72/95/642537295.db2.gz JLHMQJCZMCHPIR-UHFFFAOYSA-N 1 0 387.318 2.475 20 0 GEADRO COC(=O)CC1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000490004870 650766275 /nfs/dbraw/zinc/76/62/75/650766275.db2.gz XIYMPRBCDSZSIV-GFCCVEGCSA-N 1 0 392.279 2.435 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccccc1Br)C[C@H]1CCS(=O)(=O)C1 ZINC000533430913 650761267 /nfs/dbraw/zinc/76/12/67/650761267.db2.gz GAYSKBIOGVNPMU-GFCCVEGCSA-N 1 0 389.315 2.144 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000044085108 642569424 /nfs/dbraw/zinc/56/94/24/642569424.db2.gz DJCJKUBWFMPWBL-AWEZNQCLSA-N 1 0 384.571 2.098 20 0 GEADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000044245209 642571999 /nfs/dbraw/zinc/57/19/99/642571999.db2.gz ZZMHOLWWDYNLOP-UHFFFAOYSA-N 1 0 376.320 2.337 20 0 GEADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000044487032 642579881 /nfs/dbraw/zinc/57/98/81/642579881.db2.gz IPKXJZMHHSJURM-CVEARBPZSA-N 1 0 387.571 2.061 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000489828911 650764244 /nfs/dbraw/zinc/76/42/44/650764244.db2.gz YKFMMFAAYPQZLT-GJZGRUSLSA-N 1 0 395.345 2.064 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)NNC(=O)c2ccccc2Br)C1 ZINC000046382272 642611379 /nfs/dbraw/zinc/61/13/79/642611379.db2.gz GDOSEEUKCYRFQG-GFCCVEGCSA-N 1 0 383.290 2.125 20 0 GEADRO CS(=O)(=O)NCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000046836309 642617621 /nfs/dbraw/zinc/61/76/21/642617621.db2.gz VZKFXVVVFRICHK-UHFFFAOYSA-N 1 0 383.901 2.343 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000046868598 642618318 /nfs/dbraw/zinc/61/83/18/642618318.db2.gz MOVASLZBGYUTAJ-UHFFFAOYSA-N 1 0 387.933 2.242 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(OC)c(Br)c2)CC1 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C[N@H+](CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000490922055 650781100 /nfs/dbraw/zinc/78/11/00/650781100.db2.gz OBCGKJSYKNNNQA-UHFFFAOYSA-N 1 0 383.290 2.171 20 0 GEADRO C[NH+](C)CCCNC(=S)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000054946226 642764991 /nfs/dbraw/zinc/76/49/91/642764991.db2.gz LKHZFKNYZXIPBH-UHFFFAOYSA-N 1 0 383.631 2.384 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=S)Nc2ccc(SC(F)F)cc2)CC1 ZINC000054942825 642765077 /nfs/dbraw/zinc/76/50/77/642765077.db2.gz YAMBPHMXEWCUTE-UHFFFAOYSA-N 1 0 388.509 2.404 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000535395598 650787636 /nfs/dbraw/zinc/78/76/36/650787636.db2.gz CPLPTTIQYKWIDN-UHFFFAOYSA-N 1 0 391.313 2.365 20 0 GEADRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000056520775 642795008 /nfs/dbraw/zinc/79/50/08/642795008.db2.gz OOMUKJYMQDUJBG-MRXNPFEDSA-N 1 0 393.281 2.420 20 0 GEADRO C[C@H](CNC(=O)NNC(=O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000057166664 642807656 /nfs/dbraw/zinc/80/76/56/642807656.db2.gz LELYVKAVDNWAHI-GFCCVEGCSA-N 1 0 383.290 2.268 20 0 GEADRO Cc1[nH]nc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1Br ZINC000057274196 642810704 /nfs/dbraw/zinc/81/07/04/642810704.db2.gz FUMWDONEQIELAC-UHFFFAOYSA-N 1 0 392.301 2.480 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000060210867 642834533 /nfs/dbraw/zinc/83/45/33/642834533.db2.gz VBBICONJDYQDQT-LBPRGKRZSA-N 1 0 386.290 2.009 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000491418576 650786124 /nfs/dbraw/zinc/78/61/24/650786124.db2.gz VUOFKDQOYBLVOT-CYBMUJFWSA-N 1 0 398.301 2.161 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000535154673 650786232 /nfs/dbraw/zinc/78/62/32/650786232.db2.gz OLQUIMZMDFZJAZ-AWEZNQCLSA-N 1 0 393.285 2.085 20 0 GEADRO CC(C)(C[NH3+])NS(=O)(=O)c1ccc(Br)cc1Br ZINC000063020572 642851503 /nfs/dbraw/zinc/85/15/03/642851503.db2.gz MFGVCNKKBDFHGE-UHFFFAOYSA-N 1 0 386.109 2.227 20 0 GEADRO C[NH2+]CC1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000063165965 642853342 /nfs/dbraw/zinc/85/33/42/642853342.db2.gz MQCFMYGNBJYNAK-UHFFFAOYSA-N 1 0 375.332 2.154 20 0 GEADRO CSCC[C@@H](NC(=S)NC1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000063145731 642853444 /nfs/dbraw/zinc/85/34/44/642853444.db2.gz OWTFEAJIHSFTPS-CQSZACIVSA-N 1 0 378.571 2.082 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(I)cc1 ZINC000063194040 642854603 /nfs/dbraw/zinc/85/46/03/642854603.db2.gz YDLVOKMHLHETBT-GXFFZTMASA-N 1 0 394.278 2.182 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000065910684 642891342 /nfs/dbraw/zinc/89/13/42/642891342.db2.gz IBYUAWMMRSABAS-AWEZNQCLSA-N 1 0 387.571 2.138 20 0 GEADRO O=C(CC[NH2+]Cc1ccccc1I)NCc1cccnc1 ZINC000065935655 642892070 /nfs/dbraw/zinc/89/20/70/642892070.db2.gz BVPBNVALFJWVCT-UHFFFAOYSA-N 1 0 395.244 2.482 20 0 GEADRO C[C@]1(CO)CCC[C@@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000493543303 650794985 /nfs/dbraw/zinc/79/49/85/650794985.db2.gz JUGFOYFHYBWZPY-CWRNSKLLSA-N 1 0 376.266 2.469 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1Br ZINC000066223818 642901366 /nfs/dbraw/zinc/90/13/66/642901366.db2.gz LNRJIMQSKABFIV-AWEZNQCLSA-N 1 0 380.286 2.393 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066222575 642901846 /nfs/dbraw/zinc/90/18/46/642901846.db2.gz HKFAXOFEZWLWGM-CYBMUJFWSA-N 1 0 380.286 2.393 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2coc(Br)c2)c1 ZINC000066464143 642914722 /nfs/dbraw/zinc/91/47/22/642914722.db2.gz IGZJAGOXDWRHDC-UHFFFAOYSA-N 1 0 394.269 2.264 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000493740103 650796527 /nfs/dbraw/zinc/79/65/27/650796527.db2.gz UBYAZGVFUZDTTA-TXEJJXNPSA-N 1 0 387.265 2.220 20 0 GEADRO CC1CC[NH+](CCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000493870004 650797824 /nfs/dbraw/zinc/79/78/24/650797824.db2.gz DCAYDBCSHJDXGH-UHFFFAOYSA-N 1 0 385.961 2.378 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000066872523 642944105 /nfs/dbraw/zinc/94/41/05/642944105.db2.gz QXHFEYJMRFYSNO-UHFFFAOYSA-N 1 0 386.930 2.027 20 0 GEADRO C[C@H](C1CC1)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000066914666 642949650 /nfs/dbraw/zinc/94/96/50/642949650.db2.gz CLDHXNDRJBDGHJ-CYBMUJFWSA-N 1 0 375.485 2.304 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(Br)cs1 ZINC000493971748 650799891 /nfs/dbraw/zinc/79/98/91/650799891.db2.gz ZDFSANRVXYWYBG-SECBINFHSA-N 1 0 394.316 2.269 20 0 GEADRO CSCc1nc2ccccc2n1CC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000536336342 650800276 /nfs/dbraw/zinc/80/02/76/650800276.db2.gz CXTQXSLPFNGBSV-HOTGVXAUSA-N 1 0 378.567 2.403 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066944189 642955431 /nfs/dbraw/zinc/95/54/31/642955431.db2.gz OLEJJHXGYFZRRW-OAHLLOKOSA-N 1 0 382.302 2.088 20 0 GEADRO CCS(=O)(=O)NCCC[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000494243473 650802738 /nfs/dbraw/zinc/80/27/38/650802738.db2.gz AMLJPKOIVARRQD-UHFFFAOYSA-N 1 0 399.376 2.288 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000068469728 643001044 /nfs/dbraw/zinc/00/10/44/643001044.db2.gz OWPUAOLOFMCOCU-ZDUSSCGKSA-N 1 0 389.949 2.441 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000068487305 643002057 /nfs/dbraw/zinc/00/20/57/643002057.db2.gz IXVHAJYOTFIYGU-BBRMVZONSA-N 1 0 394.313 2.355 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000068498072 643003347 /nfs/dbraw/zinc/00/33/47/643003347.db2.gz BHZUERDGUDNKFM-UHFFFAOYSA-N 1 0 388.331 2.041 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000537214212 650811861 /nfs/dbraw/zinc/81/18/61/650811861.db2.gz REAYATKZVFUHFA-OAHLLOKOSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000068990168 643018480 /nfs/dbraw/zinc/01/84/80/643018480.db2.gz ZIQJFNCHKTXSEX-UHFFFAOYSA-N 1 0 384.933 2.311 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc(Br)cnc1Cl)[N@H+](C)C1CC1 ZINC000069129213 643020300 /nfs/dbraw/zinc/02/03/00/643020300.db2.gz ITKAOJOKAJBWTG-QMMMGPOBSA-N 1 0 382.711 2.259 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000069536843 643035048 /nfs/dbraw/zinc/03/50/48/643035048.db2.gz NZOIKYRUNNSMLW-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1Br ZINC000069745556 643040065 /nfs/dbraw/zinc/04/00/65/643040065.db2.gz UFDRQTZOEKLUCO-CYBMUJFWSA-N 1 0 399.333 2.480 20 0 GEADRO Cn1cnc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1Cl ZINC000069870400 643043122 /nfs/dbraw/zinc/04/31/22/643043122.db2.gz WIVYJMTZJUDPSK-UHFFFAOYSA-N 1 0 392.978 2.104 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494488983 650808991 /nfs/dbraw/zinc/80/89/91/650808991.db2.gz BSNBKABALWLFSJ-HNNXBMFYSA-N 1 0 396.329 2.446 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000070170335 643049094 /nfs/dbraw/zinc/04/90/94/643049094.db2.gz CRBZJGUUFKDQRX-NSHDSACASA-N 1 0 377.304 2.207 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000070174320 643049657 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CCC[NH2+]CCNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000154443135 644042171 /nfs/dbraw/zinc/04/21/71/644042171.db2.gz JZMADEDJDDWRHG-UHFFFAOYSA-N 1 0 387.571 2.479 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000154632781 644057312 /nfs/dbraw/zinc/05/73/12/644057312.db2.gz XPJKVRCLHSUPMT-UHFFFAOYSA-N 1 0 393.329 2.227 20 0 GEADRO C[N@H+](CC(=O)N1CCC(C2N=NC(=S)N2C2CC2)CC1)[C@@H]1CCSC1 ZINC000155592440 644076709 /nfs/dbraw/zinc/07/67/09/644076709.db2.gz YQFXRSWOAWOBBZ-CQSZACIVSA-N 1 0 381.571 2.045 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000499676856 650890351 /nfs/dbraw/zinc/89/03/51/650890351.db2.gz NVENVTFOFRGCLU-AWEZNQCLSA-N 1 0 378.489 2.165 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000499691622 650890736 /nfs/dbraw/zinc/89/07/36/650890736.db2.gz KGOVWVRFSWHOMM-KFWWJZLASA-N 1 0 398.345 2.477 20 0 GEADRO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1I ZINC000156543626 644102237 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O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158813539 644161679 /nfs/dbraw/zinc/16/16/79/644161679.db2.gz MCFWLMKKRXLRBV-QGZVFWFLSA-N 1 0 376.254 2.116 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N(C)CCC[NH3+])C1 ZINC000158871851 644164979 /nfs/dbraw/zinc/16/49/79/644164979.db2.gz XIGFBTBUGYVVHO-AWEZNQCLSA-N 1 0 396.329 2.417 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000159060386 644174328 /nfs/dbraw/zinc/17/43/28/644174328.db2.gz IRPCHCZKEOKJSF-WMLDXEAASA-N 1 0 396.329 2.474 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(F)c2I)C1 ZINC000543027424 650897828 /nfs/dbraw/zinc/89/78/28/650897828.db2.gz VKEDFZCPTIGDAR-SNVBAGLBSA-N 1 0 376.213 2.454 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000161808057 644220704 /nfs/dbraw/zinc/22/07/04/644220704.db2.gz TWBNEEHYTPNTEK-QWHCGFSZSA-N 1 0 385.917 2.124 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000161909507 644224700 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2.221 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000162523326 644238061 /nfs/dbraw/zinc/23/80/61/644238061.db2.gz BHOSINWOFRFLHE-SECBINFHSA-N 1 0 383.258 2.442 20 0 GEADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000163100786 644248100 /nfs/dbraw/zinc/24/81/00/644248100.db2.gz WQJYABNBDDXBPU-WFASDCNBSA-N 1 0 393.285 2.131 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000163168033 644250617 /nfs/dbraw/zinc/25/06/17/644250617.db2.gz XHQMQXFCRYLUGM-LBPRGKRZSA-N 1 0 398.301 2.089 20 0 GEADRO OCC[N@H+](CCN1CCOCC1)Cc1cc(Br)cc2cccnc21 ZINC000164124916 644259193 /nfs/dbraw/zinc/25/91/93/644259193.db2.gz NXNCXHWEMCVIJM-UHFFFAOYSA-N 1 0 394.313 2.124 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(CN3c4cccc(Br)c4C(=O)C3=O)CC[C@@H]21 ZINC000164645856 644267234 /nfs/dbraw/zinc/26/72/34/644267234.db2.gz CKXCBAHCNOJNKY-JSGCOSHPSA-N 1 0 392.297 2.352 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000170836778 644291410 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COc1cc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc(Br)c1OC ZINC000171190550 644315210 /nfs/dbraw/zinc/31/52/10/644315210.db2.gz DIFDHFQCBZVCSY-GFCCVEGCSA-N 1 0 386.290 2.360 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171239123 644318026 /nfs/dbraw/zinc/31/80/26/644318026.db2.gz YCDKMAFUXRHOBR-HNNXBMFYSA-N 1 0 386.286 2.274 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000173584150 644360180 /nfs/dbraw/zinc/36/01/80/644360180.db2.gz NOCAVBWMOQSPOD-HNNXBMFYSA-N 1 0 378.300 2.294 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CSc2nnc(-c3cccs3)n2C)C1 ZINC000543581940 650914802 /nfs/dbraw/zinc/91/48/02/650914802.db2.gz NHMBMEHVJFLISM-ZDUSSCGKSA-N 1 0 379.555 2.484 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174652285 644378662 /nfs/dbraw/zinc/37/86/62/644378662.db2.gz XPERBBRDWHYHKH-SNVBAGLBSA-N 1 0 384.249 2.127 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(Cn2nc(Br)nc2Br)C1 ZINC000175238212 644387612 /nfs/dbraw/zinc/38/76/12/644387612.db2.gz CPQOSGZKQVGXAL-VIFPVBQESA-N 1 0 381.116 2.177 20 0 GEADRO C[C@H](NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000175796070 644394266 /nfs/dbraw/zinc/39/42/66/644394266.db2.gz ZQHMXQAKZTYYTF-LBPRGKRZSA-N 1 0 376.469 2.318 20 0 GEADRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000177920731 644427522 /nfs/dbraw/zinc/42/75/22/644427522.db2.gz MAHHKGFDUGWWNO-UHFFFAOYSA-N 1 0 390.221 2.161 20 0 GEADRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000178579849 644434491 /nfs/dbraw/zinc/43/44/91/644434491.db2.gz YSZPMQHBSSJVAR-UONOGXRCSA-N 1 0 376.544 2.355 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)c1ccc(Br)cc1-n1cncn1 ZINC000179354356 644456860 /nfs/dbraw/zinc/45/68/60/644456860.db2.gz BSJZPAQVSXKQMW-UHFFFAOYSA-N 1 0 378.274 2.246 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2COc3ccc(Br)cc32)C1 ZINC000179363753 644457737 /nfs/dbraw/zinc/45/77/37/644457737.db2.gz GFIRYCVBSVDWEF-GDBMZVCRSA-N 1 0 397.313 2.398 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1cccnc1Br)Cc1ccccc1 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Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c2ccc(Br)cc2n1 ZINC000545172535 650963747 /nfs/dbraw/zinc/96/37/47/650963747.db2.gz GCIPQWZNQZOTOA-QGZVFWFLSA-N 1 0 378.270 2.102 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C12CCCCC2 ZINC000181723427 644944864 /nfs/dbraw/zinc/94/48/64/644944864.db2.gz HFYQXALPTHOQDT-JKSUJKDBSA-N 1 0 376.588 2.083 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000182033754 644956882 /nfs/dbraw/zinc/95/68/82/644956882.db2.gz BCIAQTMAAUNJQG-UHFFFAOYSA-N 1 0 389.949 2.441 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Br)nc1)[NH+]1CCCCC1 ZINC000182142977 644957366 /nfs/dbraw/zinc/95/73/66/644957366.db2.gz GIQWVKNUNHAJTL-GFCCVEGCSA-N 1 0 383.290 2.163 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@@H]1CCCO1 ZINC000182335998 644962073 /nfs/dbraw/zinc/96/20/73/644962073.db2.gz HFBMDIZMKQKCEN-YPMHNXCESA-N 1 0 376.425 2.169 20 0 GEADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](C)C[S@](C)=O)CC1 ZINC000183077729 644978320 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CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCSC[C@@H]2c2nccs2)C1 ZINC000185078970 645033944 /nfs/dbraw/zinc/03/39/44/645033944.db2.gz QACQBZGDWYLCED-HUUCEWRRSA-N 1 0 384.571 2.299 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000185200677 645038396 /nfs/dbraw/zinc/03/83/96/645038396.db2.gz LNRCHHKOMHULGU-UHFFFAOYSA-N 1 0 395.294 2.107 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000185743969 645053272 /nfs/dbraw/zinc/05/32/72/645053272.db2.gz FTWAUNHRDHAMFW-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO CC[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc(Br)ccc1O ZINC000186171618 645061991 /nfs/dbraw/zinc/06/19/91/645061991.db2.gz QEEIHCKTKAHHJI-HNNXBMFYSA-N 1 0 384.318 2.360 20 0 GEADRO O=C(NCCc1cc(Br)ccc1F)NCC[N@@H+]1CCCOCC1 ZINC000187043970 645080602 /nfs/dbraw/zinc/08/06/02/645080602.db2.gz VUXAYVFUJRFSNT-UHFFFAOYSA-N 1 0 388.281 2.152 20 0 GEADRO CSc1nnc(CCC[NH2+][C@H](C)C2CCS(=O)(=O)CC2)n1CC(C)C ZINC000187203906 645085074 /nfs/dbraw/zinc/08/50/74/645085074.db2.gz RYQJUIAPHMKBMJ-CQSZACIVSA-N 1 0 388.603 2.392 20 0 GEADRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c1O ZINC000187320876 645089166 /nfs/dbraw/zinc/08/91/66/645089166.db2.gz WAYKRSAEOFRSRB-LLVKDONJSA-N 1 0 379.320 2.442 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000187623748 645095240 /nfs/dbraw/zinc/09/52/40/645095240.db2.gz AKUYUBKCQNEDTB-AWEZNQCLSA-N 1 0 383.334 2.193 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000187908559 645099520 /nfs/dbraw/zinc/09/95/20/645099520.db2.gz QYZDHMMIDKHWRQ-MRXNPFEDSA-N 1 0 375.579 2.401 20 0 GEADRO Cn1nccc1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000545910360 650984675 /nfs/dbraw/zinc/98/46/75/650984675.db2.gz QNOUHPOEGZCTRH-UHFFFAOYSA-N 1 0 382.917 2.360 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1sccc1Br ZINC000188103785 645107699 /nfs/dbraw/zinc/10/76/99/645107699.db2.gz ILMMZTSPVFJYKY-NSHDSACASA-N 1 0 390.347 2.497 20 0 GEADRO CN(Cn1nc(Br)nc1Br)CC1([NH+](C)C)CCC1 ZINC000189800882 645141177 /nfs/dbraw/zinc/14/11/77/645141177.db2.gz WTLUWHSHPCPWTH-UHFFFAOYSA-N 1 0 381.116 2.177 20 0 GEADRO C[C@H](O)C[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000189854708 645144579 /nfs/dbraw/zinc/14/45/79/645144579.db2.gz AEDVOMDAFXTKGA-ZDUSSCGKSA-N 1 0 379.302 2.338 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000190618491 645161195 /nfs/dbraw/zinc/16/11/95/645161195.db2.gz CDQRCANCKSMERK-JSGCOSHPSA-N 1 0 376.906 2.078 20 0 GEADRO COc1cccc([C@@H](CNC(=O)c2cc(Br)nn2C)[NH+](C)C)c1 ZINC000191885616 645184531 /nfs/dbraw/zinc/18/45/31/645184531.db2.gz JDWKBDVLBCWNMG-CQSZACIVSA-N 1 0 381.274 2.224 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ncc(Br)s1 ZINC000192435310 645206563 /nfs/dbraw/zinc/20/65/63/645206563.db2.gz ULBRDQJZNPTVCX-NWDGAFQWSA-N 1 0 388.331 2.403 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)sc1C ZINC000192590912 645212970 /nfs/dbraw/zinc/21/29/70/645212970.db2.gz QDVYEQANZQGOBN-UHFFFAOYSA-N 1 0 382.555 2.176 20 0 GEADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)N1 ZINC000192672879 645220425 /nfs/dbraw/zinc/22/04/25/645220425.db2.gz LFBKIEYCZGXWSI-KRWDZBQOSA-N 1 0 389.253 2.171 20 0 GEADRO C[NH+](C)CCCN(C(=O)/C=C/c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000192748965 645223428 /nfs/dbraw/zinc/22/34/28/645223428.db2.gz DOLZSZFKSLLXTD-ROJDOSBLSA-N 1 0 384.929 2.321 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)ncc1Br ZINC000192858823 645225870 /nfs/dbraw/zinc/22/58/70/645225870.db2.gz LYRREQOAEBRGCB-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)cc3Br)C[C@@H]2C1 ZINC000192918020 645230350 /nfs/dbraw/zinc/23/03/50/645230350.db2.gz PARDYQXOSCHBHR-TXEJJXNPSA-N 1 0 393.734 2.426 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(Br)cn2)([NH+](C)C)C1 ZINC000193070871 645237877 /nfs/dbraw/zinc/23/78/77/645237877.db2.gz AWOFQMZATHMNQB-PXAZEXFGSA-N 1 0 397.317 2.409 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC000546165405 650993556 /nfs/dbraw/zinc/99/35/56/650993556.db2.gz FYBYKYGVVFSJKF-CYBMUJFWSA-N 1 0 396.329 2.428 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000193246175 645255199 /nfs/dbraw/zinc/25/51/99/645255199.db2.gz RTQHHGKBPWFVLM-GXTWGEPZSA-N 1 0 376.906 2.256 20 0 GEADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000193251184 645256211 /nfs/dbraw/zinc/25/62/11/645256211.db2.gz SUBZWRLWWOJITQ-QMMMGPOBSA-N 1 0 387.221 2.437 20 0 GEADRO CC[NH2+]CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193255752 645256401 /nfs/dbraw/zinc/25/64/01/645256401.db2.gz VVSCWACQCQHWGX-AWEZNQCLSA-N 1 0 376.906 2.176 20 0 GEADRO CC(C)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000193261365 645257317 /nfs/dbraw/zinc/25/73/17/645257317.db2.gz CVHOMYKSVDAFLB-CYBMUJFWSA-N 1 0 376.906 2.304 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000546173184 650994292 /nfs/dbraw/zinc/99/42/92/650994292.db2.gz SUNFFRGCJITLLR-NHYWBVRUSA-N 1 0 389.315 2.172 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000193282778 645260822 /nfs/dbraw/zinc/26/08/22/645260822.db2.gz KIIZEOYGDSAXDF-VIFPVBQESA-N 1 0 383.283 2.249 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000193284865 645261500 /nfs/dbraw/zinc/26/15/00/645261500.db2.gz SLZLPUOXPDWLSW-ZYHUDNBSSA-N 1 0 389.315 2.132 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193285506 645261735 /nfs/dbraw/zinc/26/17/35/645261735.db2.gz ZWPKDFQOLAGCGL-UHFFFAOYSA-N 1 0 382.302 2.333 20 0 GEADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000546179982 650994660 /nfs/dbraw/zinc/99/46/60/650994660.db2.gz ZQGBVFVEGQJBAZ-INIZCTEOSA-N 1 0 380.275 2.409 20 0 GEADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000193301905 645263953 /nfs/dbraw/zinc/26/39/53/645263953.db2.gz GQJCMTYZHPCRJJ-TZMCWYRMSA-N 1 0 376.906 2.126 20 0 GEADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)C1 ZINC000193336147 645268016 /nfs/dbraw/zinc/26/80/16/645268016.db2.gz DWCZWVXSYZMEHK-NSHDSACASA-N 1 0 375.288 2.024 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193431165 645272839 /nfs/dbraw/zinc/27/28/39/645272839.db2.gz PFWOBVBYUPFPTN-UHFFFAOYSA-N 1 0 380.853 2.208 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193448348 645274076 /nfs/dbraw/zinc/27/40/76/645274076.db2.gz BYACKHDIZQTZKF-ZYHUDNBSSA-N 1 0 377.304 2.185 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000193506170 645279630 /nfs/dbraw/zinc/27/96/30/645279630.db2.gz WVZYUJRLUUYAQI-JVXZTZIISA-N 1 0 380.176 2.440 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1Br ZINC000193546060 645281422 /nfs/dbraw/zinc/28/14/22/645281422.db2.gz DOIPBCLRGDQSNW-NSHDSACASA-N 1 0 385.306 2.184 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[NH2+][C@@H]3C)s2)CC1 ZINC000193553624 645282751 /nfs/dbraw/zinc/28/27/51/645282751.db2.gz HTEUQUMCVWVIGG-KGLIPLIRSA-N 1 0 385.555 2.039 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000193575808 645285996 /nfs/dbraw/zinc/28/59/96/645285996.db2.gz LACQEUPWCWQFKW-QMTHXVAHSA-N 1 0 378.274 2.209 20 0 GEADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[NH+](C2CCOCC2)CC1 ZINC000193579866 645286748 /nfs/dbraw/zinc/28/67/48/645286748.db2.gz GRLMIFLGHWPYQR-KRWDZBQOSA-N 1 0 395.297 2.076 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)ccc1Br ZINC000193724046 645293440 /nfs/dbraw/zinc/29/34/40/645293440.db2.gz CXWASVUWRKQPDE-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1)C(F)(F)F ZINC000194037599 645309743 /nfs/dbraw/zinc/30/97/43/645309743.db2.gz NPUOLCFVUYAECH-HZSPNIEDSA-N 1 0 382.448 2.095 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000194264148 645320561 /nfs/dbraw/zinc/32/05/61/645320561.db2.gz SGDKLIJOMWNLRJ-UHFFFAOYSA-N 1 0 385.306 2.363 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000194338277 645322752 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CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000546886738 651013235 /nfs/dbraw/zinc/01/32/35/651013235.db2.gz FDDKDCSFXOESGB-KRWDZBQOSA-N 1 0 380.897 2.071 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cccc(Br)c1 ZINC000245668482 645465065 /nfs/dbraw/zinc/46/50/65/645465065.db2.gz JMNXNOSPDUFFMV-GOEBONIOSA-N 1 0 375.270 2.239 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000245681875 645466447 /nfs/dbraw/zinc/46/64/47/645466447.db2.gz RVNKHMDVXCQLFL-NEPJUHHUSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(I)c(O)c1 ZINC000546908353 651014347 /nfs/dbraw/zinc/01/43/47/651014347.db2.gz IOCJLRRAPKHNNM-GXFFZTMASA-N 1 0 388.249 2.409 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3Br)CC[C@H]21 ZINC000246952323 645499585 /nfs/dbraw/zinc/49/95/85/645499585.db2.gz HLKWWXRWFJDHEW-XHDPSFHLSA-N 1 0 398.276 2.469 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000246955693 645499643 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C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000265984695 645816983 /nfs/dbraw/zinc/81/69/83/645816983.db2.gz XSTVSOAWSFSBKO-ZDUSSCGKSA-N 1 0 384.318 2.136 20 0 GEADRO COCCn1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cn1 ZINC000266182427 645831083 /nfs/dbraw/zinc/83/10/83/645831083.db2.gz GHKJWJXNQQGXTO-UHFFFAOYSA-N 1 0 382.258 2.353 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000266502692 645846102 /nfs/dbraw/zinc/84/61/02/645846102.db2.gz DGPVFLZFWCHMBH-UONOGXRCSA-N 1 0 384.249 2.270 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266551511 645849500 /nfs/dbraw/zinc/84/95/00/645849500.db2.gz GKBOTFCMCUWUOE-GFCCVEGCSA-N 1 0 398.276 2.471 20 0 GEADRO CCOC(=O)CSc1nnc(NC(=O)CSCC[NH+](CC)CC)s1 ZINC000266899634 645864734 /nfs/dbraw/zinc/86/47/34/645864734.db2.gz YSCFUXOLVUHFBY-UHFFFAOYSA-N 1 0 392.572 2.207 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000267112883 645883391 /nfs/dbraw/zinc/88/33/91/645883391.db2.gz 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C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000268725443 645993564 /nfs/dbraw/zinc/99/35/64/645993564.db2.gz ARFABZYBWKSXGP-ZDUSSCGKSA-N 1 0 380.290 2.056 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1)[NH+](C)C ZINC000268746880 645995449 /nfs/dbraw/zinc/99/54/49/645995449.db2.gz VNAKIFGNACHZNQ-LBPRGKRZSA-N 1 0 397.317 2.054 20 0 GEADRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(OC(F)F)cc1OC(F)F ZINC000268784108 645998582 /nfs/dbraw/zinc/99/85/82/645998582.db2.gz ZEPWTWKTMFGHOY-VIFPVBQESA-N 1 0 388.383 2.479 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCS(C)(=O)=O ZINC000268855028 646000704 /nfs/dbraw/zinc/00/07/04/646000704.db2.gz IAGISDISXDBCCH-NSHDSACASA-N 1 0 377.304 2.191 20 0 GEADRO CO[C@H](C)[C@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000268871539 646001808 /nfs/dbraw/zinc/00/18/08/646001808.db2.gz UNAARFWGXOFJRD-LOWVWBTDSA-N 1 0 379.238 2.044 20 0 GEADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268931869 646007136 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CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccsc2C(=O)OC)c1 ZINC000269660853 646049233 /nfs/dbraw/zinc/04/92/33/646049233.db2.gz LKZWLMVEXKPMAO-UHFFFAOYSA-N 1 0 382.507 2.465 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br)[NH+](C)C ZINC000269949167 646076221 /nfs/dbraw/zinc/07/62/21/646076221.db2.gz OBKBHKIOVUWPJJ-QMMMGPOBSA-N 1 0 396.207 2.473 20 0 GEADRO Cc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(Br)n1 ZINC000270144585 646088011 /nfs/dbraw/zinc/08/80/11/646088011.db2.gz SXCMVVYQFIRWJJ-UHFFFAOYSA-N 1 0 381.318 2.006 20 0 GEADRO CC[NH+](CC)CCN(C(=O)Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000270196013 646090718 /nfs/dbraw/zinc/09/07/18/646090718.db2.gz FXCXYLXIBONQNY-KRWDZBQOSA-N 1 0 386.945 2.240 20 0 GEADRO Cn1cc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc(Br)c1=O ZINC000270246659 646096574 /nfs/dbraw/zinc/09/65/74/646096574.db2.gz SLKYQKKDEQXAPI-ZDUSSCGKSA-N 1 0 397.317 2.343 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)Cc2cccc(Br)c2)ccc1=O ZINC000270260043 646097790 /nfs/dbraw/zinc/09/77/90/646097790.db2.gz RNKCZOWGNCKOCJ-UHFFFAOYSA-N 1 0 378.270 2.354 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000270921706 646153191 /nfs/dbraw/zinc/15/31/91/646153191.db2.gz UORLUGXWCJTMLX-KGLIPLIRSA-N 1 0 396.285 2.091 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[N@H+](CCO)CCOC ZINC000271150066 646178114 /nfs/dbraw/zinc/17/81/14/646178114.db2.gz JZUSSJBLYJLKMM-UHFFFAOYSA-N 1 0 376.291 2.305 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000271249992 646183997 /nfs/dbraw/zinc/18/39/97/646183997.db2.gz DIZRKBSJPOHMRH-AWEZNQCLSA-N 1 0 392.301 2.494 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000271438559 646206295 /nfs/dbraw/zinc/20/62/95/646206295.db2.gz CBQFYMGAXONIPY-TZMCWYRMSA-N 1 0 383.491 2.005 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000271691055 646220559 /nfs/dbraw/zinc/22/05/59/646220559.db2.gz KLIRRLQMOGXYSG-SNVBAGLBSA-N 1 0 377.233 2.095 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)CCO1 ZINC000271768836 646229532 /nfs/dbraw/zinc/22/95/32/646229532.db2.gz UGURSDUEVINNIL-BNOWGMLFSA-N 1 0 391.249 2.188 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000271907881 646239507 /nfs/dbraw/zinc/23/95/07/646239507.db2.gz PTIUAHKVDUVXJL-UHFFFAOYSA-N 1 0 388.212 2.044 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000272008040 646247890 /nfs/dbraw/zinc/24/78/90/646247890.db2.gz SRCJPJIUPKAIRT-JTQLQIEISA-N 1 0 386.315 2.007 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272159399 646258598 /nfs/dbraw/zinc/25/85/98/646258598.db2.gz AHIKZNGVGVTQKY-FZMZJTMJSA-N 1 0 389.315 2.172 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000272187678 646261258 /nfs/dbraw/zinc/26/12/58/646261258.db2.gz DVIGFIYPYIAKRG-DGCLKSJQSA-N 1 0 387.933 2.226 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000272187679 646261532 /nfs/dbraw/zinc/26/15/32/646261532.db2.gz DVIGFIYPYIAKRG-WCQYABFASA-N 1 0 387.933 2.226 20 0 GEADRO C[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272276836 646263002 /nfs/dbraw/zinc/26/30/02/646263002.db2.gz DDMSWIBVIVIXMF-DZGCQCFKSA-N 1 0 382.917 2.262 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)[C@@H]2C1 ZINC000272364994 646269512 /nfs/dbraw/zinc/26/95/12/646269512.db2.gz FWZHBSGOWZDVAI-IAQYHMDHSA-N 1 0 386.905 2.269 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC(=O)NCC(F)(F)F ZINC000272434418 646272021 /nfs/dbraw/zinc/27/20/21/646272021.db2.gz SWFLSXXPFWVHHZ-UHFFFAOYSA-N 1 0 379.810 2.299 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000272787699 646286790 /nfs/dbraw/zinc/28/67/90/646286790.db2.gz CAJIFNUJGMQKLE-CYBMUJFWSA-N 1 0 380.539 2.371 20 0 GEADRO CN(CC(=O)NC[C@@]1(C)CCC[NH2+]C1)C(=O)c1ccc(Br)s1 ZINC000272994880 646295131 /nfs/dbraw/zinc/29/51/31/646295131.db2.gz LOXATMJFYPMOFU-HNNXBMFYSA-N 1 0 388.331 2.089 20 0 GEADRO O=C(C[NH2+][C@H](CO)c1ccc(Br)cc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000273162471 646307615 /nfs/dbraw/zinc/30/76/15/646307615.db2.gz ZXUZHDBRTKSYCI-IKGGRYGDSA-N 1 0 397.313 2.242 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000274495301 646322029 /nfs/dbraw/zinc/32/20/29/646322029.db2.gz IDPALNUCTBQMGK-BMIGLBTASA-N 1 0 398.276 2.434 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2csc(-c3cc(Br)cs3)n2)CCO1 ZINC000274856474 646332757 /nfs/dbraw/zinc/33/27/57/646332757.db2.gz ZHWNBANLQPOGBE-SECBINFHSA-N 1 0 388.312 2.434 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000274996756 646341260 /nfs/dbraw/zinc/34/12/60/646341260.db2.gz VWPHYPFCBUJUIN-CHWSQXEVSA-N 1 0 387.318 2.472 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275466516 646353953 /nfs/dbraw/zinc/35/39/53/646353953.db2.gz AFSALZZUWKCBIK-UHFFFAOYSA-N 1 0 398.301 2.305 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000275490326 646356919 /nfs/dbraw/zinc/35/69/19/646356919.db2.gz ALNKWUFMRHGGHV-UPJWGTAASA-N 1 0 380.286 2.188 20 0 GEADRO CN1C(=O)C[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000277107778 646377515 /nfs/dbraw/zinc/37/75/15/646377515.db2.gz UUEJGHXKFVLMMC-SMDDNHRTSA-N 1 0 381.757 2.019 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1Cl ZINC000277121691 646379976 /nfs/dbraw/zinc/37/99/76/646379976.db2.gz NPFMSTVOSPYKFV-DZGCQCFKSA-N 1 0 379.931 2.189 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(Br)n1 ZINC000277229600 646391645 /nfs/dbraw/zinc/39/16/45/646391645.db2.gz ZWJUOMQFNVEGJV-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2nc(C(F)(F)F)cs2)CCCO1 ZINC000277339319 646404632 /nfs/dbraw/zinc/40/46/32/646404632.db2.gz DLRPRPAJZNXSCH-LLVKDONJSA-N 1 0 380.436 2.462 20 0 GEADRO Cc1c(Br)cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c(=O)n1C ZINC000277378611 646410234 /nfs/dbraw/zinc/41/02/34/646410234.db2.gz IFGQCENGWSRGFT-LBPRGKRZSA-N 1 0 384.318 2.308 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000277484477 646429679 /nfs/dbraw/zinc/42/96/79/646429679.db2.gz JDRZOBVWYYWYGU-JLZZUVOBSA-N 1 0 386.323 2.481 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1cc2ccccc2nc1Br)C1CC1 ZINC000277497045 646432124 /nfs/dbraw/zinc/43/21/24/646432124.db2.gz MBPJSHMNYNIOJL-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO Cc1cnc(C2CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC2)s1 ZINC000277564876 646442954 /nfs/dbraw/zinc/44/29/54/646442954.db2.gz XMMXSPKNNXXHRL-UHFFFAOYSA-N 1 0 378.420 2.409 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000277569629 646443702 /nfs/dbraw/zinc/44/37/02/646443702.db2.gz XHKCZFBOMCPOLA-NSHDSACASA-N 1 0 393.285 2.392 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000277579318 646446051 /nfs/dbraw/zinc/44/60/51/646446051.db2.gz KHJZYKMXDDEAOI-SGMGOOAPSA-N 1 0 382.302 2.212 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)ccc1Cl ZINC000278317245 646513481 /nfs/dbraw/zinc/51/34/81/646513481.db2.gz UOHIZLBOHUJHJE-GXTWGEPZSA-N 1 0 387.933 2.241 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000278483618 646524568 /nfs/dbraw/zinc/52/45/68/646524568.db2.gz LBMDKYFGKFXHGK-INIZCTEOSA-N 1 0 397.292 2.485 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000278608385 646529965 /nfs/dbraw/zinc/52/99/65/646529965.db2.gz IZSFZZSHEGOEEQ-CXAGYDPISA-N 1 0 396.329 2.161 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c(C)c1Cl ZINC000278647553 646534721 /nfs/dbraw/zinc/53/47/21/646534721.db2.gz DUKPMQFABPRLBF-JTQLQIEISA-N 1 0 380.919 2.211 20 0 GEADRO COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000279112097 646578777 /nfs/dbraw/zinc/57/87/77/646578777.db2.gz SRULMVCZQFELQL-VBNZEHGJSA-N 1 0 385.302 2.410 20 0 GEADRO Cc1c(Cl)c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)sc1S(N)(=O)=O ZINC000279114230 646578948 /nfs/dbraw/zinc/57/89/48/646578948.db2.gz CJUUIDOVBDHTHS-UHFFFAOYSA-N 1 0 393.962 2.350 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000279114554 646579541 /nfs/dbraw/zinc/57/95/41/646579541.db2.gz WGRKWLGBZKIPLM-ZIAGYGMSSA-N 1 0 383.945 2.421 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000279232714 646585995 /nfs/dbraw/zinc/58/59/95/646585995.db2.gz QMWBMYWZJUMFJX-NSHDSACASA-N 1 0 393.962 2.352 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)CC1 ZINC000279304964 646588774 /nfs/dbraw/zinc/58/87/74/646588774.db2.gz ZYFKPZYXLYQCKU-UHFFFAOYSA-N 1 0 393.962 2.304 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC000279683452 646622192 /nfs/dbraw/zinc/62/21/92/646622192.db2.gz FBMXHKPHZSASSV-KBPBESRZSA-N 1 0 387.571 2.461 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(F)c(Br)cc1Cl ZINC000279774206 646625804 /nfs/dbraw/zinc/62/58/04/646625804.db2.gz BJUXBCOWLOPXQD-SECBINFHSA-N 1 0 378.673 2.217 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000279804532 646628853 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2.429 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(Br)cn3)CC2)CC[N@@H+]1C ZINC000332533932 647442427 /nfs/dbraw/zinc/44/24/27/647442427.db2.gz IATJCFIZLFZYTH-ZFWWWQNUSA-N 1 0 396.333 2.158 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332546177 647444069 /nfs/dbraw/zinc/44/40/69/647444069.db2.gz GMIQQSAMFZTHQU-CHWSQXEVSA-N 1 0 380.286 2.072 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1F ZINC000332562236 647445842 /nfs/dbraw/zinc/44/58/42/647445842.db2.gz RDKGGHQZFJWTLO-PWSUYJOCSA-N 1 0 384.249 2.046 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC000332573432 647447344 /nfs/dbraw/zinc/44/73/44/647447344.db2.gz BQYTYUAHPRLVQO-DGCLKSJQSA-N 1 0 384.307 2.464 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(C)c1Br ZINC000332579566 647448616 /nfs/dbraw/zinc/44/86/16/647448616.db2.gz ZWPHGYUSVLSBSM-QWHCGFSZSA-N 1 0 380.286 2.072 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333086643 647459995 /nfs/dbraw/zinc/45/99/95/647459995.db2.gz BSLQOUZLUANXMC-DGCLKSJQSA-N 1 0 391.273 2.246 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1C(F)F ZINC000333239363 647467312 /nfs/dbraw/zinc/46/73/12/647467312.db2.gz ZPLJODPEVZYHCR-CYBMUJFWSA-N 1 0 376.473 2.305 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333264807 647468226 /nfs/dbraw/zinc/46/82/26/647468226.db2.gz JIVLDWIZGNJXKJ-UHFFFAOYSA-N 1 0 395.301 2.234 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc4ncsc4c3)CC2)C1 ZINC000333627921 647477343 /nfs/dbraw/zinc/47/73/43/647477343.db2.gz GCOZTRHQFCXWFP-CZUORRHYSA-N 1 0 381.523 2.203 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000333680612 647478695 /nfs/dbraw/zinc/47/86/95/647478695.db2.gz ZPZJHONJZNYIMI-HBUWYVDXSA-N 1 0 380.330 2.471 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000333677726 647478920 /nfs/dbraw/zinc/47/89/20/647478920.db2.gz OGYWOPOYPKAXQN-ZDUSSCGKSA-N 1 0 385.295 2.213 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333794855 647482214 /nfs/dbraw/zinc/48/22/14/647482214.db2.gz GUKATNJWZCIXDK-CRAIPNDOSA-N 1 0 379.913 2.210 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333800418 647482768 /nfs/dbraw/zinc/48/27/68/647482768.db2.gz HRFKLGKOLNAVTK-KRWDZBQOSA-N 1 0 381.270 2.117 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000333810703 647483014 /nfs/dbraw/zinc/48/30/14/647483014.db2.gz HYVHRKUZXYLGMT-UHFFFAOYSA-N 1 0 384.322 2.389 20 0 GEADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1Cl ZINC000333815218 647483141 /nfs/dbraw/zinc/48/31/41/647483141.db2.gz GKJCKGQTGZRCBC-UHFFFAOYSA-N 1 0 392.352 2.488 20 0 GEADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333859225 647484253 /nfs/dbraw/zinc/48/42/53/647484253.db2.gz RQBRLEIYYYGRME-MAUKXSAKSA-N 1 0 392.297 2.157 20 0 GEADRO C[NH+](C)C1CCN(C(=O)Cc2noc(C(=O)c3ccc(Cl)s3)n2)CC1 ZINC000350270457 647530779 /nfs/dbraw/zinc/53/07/79/647530779.db2.gz RUDFZGYORUAPFI-UHFFFAOYSA-N 1 0 382.873 2.111 20 0 GEADRO O=S(=O)(Cc1noc(-c2ccc(C[NH+]3CCSCC3)cc2)n1)C1CC1 ZINC000351003907 647546300 /nfs/dbraw/zinc/54/63/00/647546300.db2.gz OVABKDRUGJECBC-UHFFFAOYSA-N 1 0 379.507 2.363 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351064690 647548429 /nfs/dbraw/zinc/54/84/29/647548429.db2.gz AYYMTHNWDXDHAZ-JTQLQIEISA-N 1 0 375.435 2.485 20 0 GEADRO O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000360402515 647556976 /nfs/dbraw/zinc/55/69/76/647556976.db2.gz SURVKBCMUXATAA-UONOGXRCSA-N 1 0 376.881 2.089 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1Cl ZINC000362020509 647566355 /nfs/dbraw/zinc/56/63/55/647566355.db2.gz HSULYWHJOJKKEH-XHDPSFHLSA-N 1 0 389.880 2.152 20 0 GEADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cccc(Br)n1 ZINC000362336874 647569685 /nfs/dbraw/zinc/56/96/85/647569685.db2.gz QQTPNWWNDQGTNS-HZSPNIEDSA-N 1 0 382.302 2.463 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000362328241 647569864 /nfs/dbraw/zinc/56/98/64/647569864.db2.gz XBMHKJSJWHOFBK-TUKIKUTGSA-N 1 0 390.285 2.048 20 0 GEADRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ncc(Br)s1 ZINC000362740085 647572694 /nfs/dbraw/zinc/57/26/94/647572694.db2.gz BONPTPHEYLKWOU-IUODEOHRSA-N 1 0 390.347 2.438 20 0 GEADRO C[C@@H](CNC(=O)N1CCSC[C@H]1c1cccs1)C[NH+]1CCN(C)CC1 ZINC000362896283 647575438 /nfs/dbraw/zinc/57/54/38/647575438.db2.gz JHBRVUZOECCAEU-HOTGVXAUSA-N 1 0 382.599 2.431 20 0 GEADRO O=C(NCc1ccc(Br)cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000362969564 647577094 /nfs/dbraw/zinc/57/70/94/647577094.db2.gz BVGJKUAAAWIDBX-JKSUJKDBSA-N 1 0 382.302 2.190 20 0 GEADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000363076692 647583249 /nfs/dbraw/zinc/58/32/49/647583249.db2.gz WIEIOPWDRZKGIC-OAHLLOKOSA-N 1 0 390.355 2.362 20 0 GEADRO O=C(CCOc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363099784 647584372 /nfs/dbraw/zinc/58/43/72/647584372.db2.gz YEOLQMWSOYVAMF-ZBFHGGJFSA-N 1 0 383.286 2.197 20 0 GEADRO C[C@H]1C[C@H](c2cccs2)C[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000363258843 647589012 /nfs/dbraw/zinc/58/90/12/647589012.db2.gz JLNNOMAIUSDXQY-STQMWFEESA-N 1 0 379.507 2.212 20 0 GEADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(Br)cn1 ZINC000363423736 647596111 /nfs/dbraw/zinc/59/61/11/647596111.db2.gz NBIQBTAJPOXLCE-SNPRPXQTSA-N 1 0 382.302 2.463 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363521391 647598982 /nfs/dbraw/zinc/59/89/82/647598982.db2.gz ZMCLPLLULSOTAG-BFHYXJOUSA-N 1 0 383.286 2.196 20 0 GEADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CSCCS2)CC1 ZINC000363626762 647603369 /nfs/dbraw/zinc/60/33/69/647603369.db2.gz LOBUBZLDWCZZDS-INIZCTEOSA-N 1 0 379.551 2.251 20 0 GEADRO CC1CCC([NH+]2CCC(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000363652847 647605130 /nfs/dbraw/zinc/60/51/30/647605130.db2.gz VNZUFIFBTFPDCU-BDVYOWHSSA-N 1 0 388.599 2.066 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC(=O)N(C)C2)CC1 ZINC000363895091 647610737 /nfs/dbraw/zinc/61/07/37/647610737.db2.gz IMWSTXICOXKKFA-HNNXBMFYSA-N 1 0 394.313 2.182 20 0 GEADRO Cc1nn(C)c(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1Br ZINC000363992273 647616342 /nfs/dbraw/zinc/61/63/42/647616342.db2.gz FHZGLELWGHCCJD-CXAGYDPISA-N 1 0 395.349 2.397 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000364068187 647617977 /nfs/dbraw/zinc/61/79/77/647617977.db2.gz IVRNETOBUFRUST-UHFFFAOYSA-N 1 0 390.709 2.416 20 0 GEADRO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000364319114 647621448 /nfs/dbraw/zinc/62/14/48/647621448.db2.gz SWPHUDMTJBWSOM-UHFFFAOYSA-N 1 0 396.329 2.430 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(c2cccc(Br)c2)CC1 ZINC000364466069 647627744 /nfs/dbraw/zinc/62/77/44/647627744.db2.gz GNWIKHDBPIPZNW-CVEARBPZSA-N 1 0 379.298 2.460 20 0 GEADRO 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C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415583546 648106945 /nfs/dbraw/zinc/10/69/45/648106945.db2.gz VUQLRERGKIZSIQ-UWVGGRQHSA-N 1 0 375.803 2.118 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)c1F ZINC000415586300 648107397 /nfs/dbraw/zinc/10/73/97/648107397.db2.gz VNPLKABLLXSQQA-MRXNPFEDSA-N 1 0 386.265 2.341 20 0 GEADRO COc1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(I)c1 ZINC000415600525 648109766 /nfs/dbraw/zinc/10/97/66/648109766.db2.gz SXYNLPVWGNJJJQ-BXKDBHETSA-N 1 0 389.237 2.419 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415621636 648110763 /nfs/dbraw/zinc/11/07/63/648110763.db2.gz VJLUJGISMBNAAJ-UHFFFAOYSA-N 1 0 382.921 2.219 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415808692 648112811 /nfs/dbraw/zinc/11/28/11/648112811.db2.gz OPXYJVMGODQOMT-BQBZGAKWSA-N 1 0 382.180 2.258 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1Cl ZINC000416427018 648124574 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Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000416824196 648213186 /nfs/dbraw/zinc/21/31/86/648213186.db2.gz IEIZJFROJQUPQP-NEPJUHHUSA-N 1 0 383.290 2.088 20 0 GEADRO O=C(NCCc1cccc(Cl)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000416865170 648214968 /nfs/dbraw/zinc/21/49/68/648214968.db2.gz DLSOTYVOJLTHIL-CQSZACIVSA-N 1 0 378.826 2.018 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417104216 648225046 /nfs/dbraw/zinc/22/50/46/648225046.db2.gz OHRUKENGHKXXRD-PBHICJAKSA-N 1 0 395.345 2.069 20 0 GEADRO COC[C@]1(CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC000417109872 648225535 /nfs/dbraw/zinc/22/55/35/648225535.db2.gz XWDQKNRCAZFUSP-SUMWQHHRSA-N 1 0 384.318 2.448 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000417122681 648225963 /nfs/dbraw/zinc/22/59/63/648225963.db2.gz BHTXAMMPEKOSRR-CYBMUJFWSA-N 1 0 387.311 2.032 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417178914 648229331 /nfs/dbraw/zinc/22/93/31/648229331.db2.gz NIOBYYIUGVMMIA-QWRGUYRKSA-N 1 0 386.290 2.436 20 0 GEADRO O=C(NCCOc1cccc(Br)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417211593 648232462 /nfs/dbraw/zinc/23/24/62/648232462.db2.gz RWYNXIRZNQSSTM-LBPRGKRZSA-N 1 0 378.217 2.124 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417210538 648232478 /nfs/dbraw/zinc/23/24/78/648232478.db2.gz DDLQEJQAXPXKIX-AWEZNQCLSA-N 1 0 380.290 2.380 20 0 GEADRO C[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)[C@@H](C[NH3+])C1 ZINC000417219102 648233635 /nfs/dbraw/zinc/23/36/35/648233635.db2.gz MENXTIATPCNTLT-BXUZGUMPSA-N 1 0 380.290 2.366 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417224764 648234392 /nfs/dbraw/zinc/23/43/92/648234392.db2.gz IGAHEWDGMURAOF-HNNXBMFYSA-N 1 0 397.361 2.365 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417227538 648235066 /nfs/dbraw/zinc/23/50/66/648235066.db2.gz QEMYQTSBRDJLNW-TZMCWYRMSA-N 1 0 383.290 2.347 20 0 GEADRO C[C@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000417231661 648235992 /nfs/dbraw/zinc/23/59/92/648235992.db2.gz ZAIBRDASUMVEDP-SMDDNHRTSA-N 1 0 383.290 2.156 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417324027 648239468 /nfs/dbraw/zinc/23/94/68/648239468.db2.gz ZMWWJSFBWAZABM-LBPRGKRZSA-N 1 0 378.217 2.124 20 0 GEADRO CCC[NH2+]CCNC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000417369096 648241011 /nfs/dbraw/zinc/24/10/11/648241011.db2.gz PNUDAZWQKSATQC-UHFFFAOYSA-N 1 0 385.306 2.385 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417418599 648243907 /nfs/dbraw/zinc/24/39/07/648243907.db2.gz DTDJLHYTRKAIPJ-HNNXBMFYSA-N 1 0 399.333 2.242 20 0 GEADRO CC1(NC(=O)NCCCNC(=O)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000417434444 648244981 /nfs/dbraw/zinc/24/49/81/648244981.db2.gz LTVHTRLZPNMWKE-UHFFFAOYSA-N 1 0 397.317 2.010 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000417431126 648245004 /nfs/dbraw/zinc/24/50/04/648245004.db2.gz QVFSDCDNYGQGPJ-HNNXBMFYSA-N 1 0 382.302 2.240 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)NCCc1ccc(I)s1 ZINC000417437356 648245865 /nfs/dbraw/zinc/24/58/65/648245865.db2.gz HCOWUJOZFVDLAO-SECBINFHSA-N 1 0 379.267 2.028 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCc2ccc(I)s2)C1 ZINC000417438602 648245971 /nfs/dbraw/zinc/24/59/71/648245971.db2.gz JVJYCMJPMPPRJY-UWVGGRQHSA-N 1 0 393.294 2.322 20 0 GEADRO O=C(N[C@@H]1CCc2c1cccc2Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417449462 648247300 /nfs/dbraw/zinc/24/73/00/648247300.db2.gz BNSPXPMRQTXTSX-CXAGYDPISA-N 1 0 393.329 2.126 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000417449137 648247381 /nfs/dbraw/zinc/24/73/81/648247381.db2.gz XLHRWEXOHMOWMP-PWSUYJOCSA-N 1 0 386.290 2.393 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H]1C ZINC000417477691 648247669 /nfs/dbraw/zinc/24/76/69/648247669.db2.gz GWNAVQGGCQQNKF-KCQAQPDRSA-N 1 0 381.318 2.420 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC1CC[NH2+]CC1 ZINC000417474824 648247779 /nfs/dbraw/zinc/24/77/79/648247779.db2.gz AEGSYBJIUQIZIY-UHFFFAOYSA-N 1 0 383.290 2.137 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417476866 648247799 /nfs/dbraw/zinc/24/77/99/648247799.db2.gz FPAIDZHWPSHSIZ-VNHYZAJKSA-N 1 0 381.318 2.407 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)C(F)F ZINC000417478030 648248091 /nfs/dbraw/zinc/24/80/91/648248091.db2.gz HSONAPIDAROHPX-DGCLKSJQSA-N 1 0 391.260 2.310 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417478015 648248181 /nfs/dbraw/zinc/24/81/81/648248181.db2.gz HQSAKVSJHHBPAU-GOEBONIOSA-N 1 0 381.318 2.421 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000417480147 648248587 /nfs/dbraw/zinc/24/85/87/648248587.db2.gz FZZUSVMRQLYCOH-CQSZACIVSA-N 1 0 397.317 2.480 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC1=CC[NH2+]CC1 ZINC000417491067 648250277 /nfs/dbraw/zinc/25/02/77/648250277.db2.gz SRHQHADWWSCKHO-UHFFFAOYSA-N 1 0 395.301 2.305 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417494417 648250326 /nfs/dbraw/zinc/25/03/26/648250326.db2.gz XVBXTCSDCAJDKQ-DOMZBBRYSA-N 1 0 397.317 2.383 20 0 GEADRO CC[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc(C)cs1 ZINC000417517412 648250988 /nfs/dbraw/zinc/25/09/88/648250988.db2.gz IXCOWHHSNOZRCS-RYUDHWBXSA-N 1 0 379.452 2.038 20 0 GEADRO O=C(NCCSCCOc1cccc(Br)c1)N[C@H]1CC[NH2+]C1 ZINC000417596726 648254876 /nfs/dbraw/zinc/25/48/76/648254876.db2.gz QVAMBFFZKBLHQD-ZDUSSCGKSA-N 1 0 388.331 2.222 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417604853 648255969 /nfs/dbraw/zinc/25/59/69/648255969.db2.gz VVLIZZKGHNVZIO-CQSZACIVSA-N 1 0 381.318 2.469 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2Br)C1)C(F)F ZINC000417604225 648256045 /nfs/dbraw/zinc/25/60/45/648256045.db2.gz UELAVMOBRDYUSO-CMPLNLGQSA-N 1 0 391.260 2.310 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2)CC12CCOCC2 ZINC000417703138 648258574 /nfs/dbraw/zinc/25/85/74/648258574.db2.gz QTLYZIYGYZSHLA-OAHLLOKOSA-N 1 0 396.329 2.389 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[NH2+]1 ZINC000417719258 648259209 /nfs/dbraw/zinc/25/92/09/648259209.db2.gz COBQGVRYPCQUKN-ZWNOBZJWSA-N 1 0 393.289 2.174 20 0 GEADRO C[C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Cc1cccs1 ZINC000417758490 648261329 /nfs/dbraw/zinc/26/13/29/648261329.db2.gz VBTBLSHKRNZKRN-JSGCOSHPSA-N 1 0 378.464 2.062 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000417824225 648262373 /nfs/dbraw/zinc/26/23/73/648262373.db2.gz AYZKGJMQZBOECD-MRVPVSSYSA-N 1 0 378.786 2.328 20 0 GEADRO Nc1cc(Br)ccc1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417847542 648262954 /nfs/dbraw/zinc/26/29/54/648262954.db2.gz UWVOHXYAFNNVJH-GDBMZVCRSA-N 1 0 382.302 2.390 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000417834547 648263042 /nfs/dbraw/zinc/26/30/42/648263042.db2.gz KERYSJIKRROYMP-LLVKDONJSA-N 1 0 395.718 2.228 20 0 GEADRO CC1(C)C[C@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)CO1 ZINC000417889888 648265222 /nfs/dbraw/zinc/26/52/22/648265222.db2.gz AWEZXVFAPRFWLW-QWHCGFSZSA-N 1 0 391.249 2.188 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417901442 648265691 /nfs/dbraw/zinc/26/56/91/648265691.db2.gz VUKIUUBLKGNBJE-HOCLYGCPSA-N 1 0 395.345 2.069 20 0 GEADRO CC(C)(CNC(=O)NCCCN1CC[NH2+]CC1)c1ccccc1Br ZINC000417915250 648266060 /nfs/dbraw/zinc/26/60/60/648266060.db2.gz UBPXSFROXJSYQQ-UHFFFAOYSA-N 1 0 397.361 2.321 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417959053 648267152 /nfs/dbraw/zinc/26/71/52/648267152.db2.gz VXNXVAADVJWEFJ-QMMMGPOBSA-N 1 0 384.196 2.493 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000417983488 648268167 /nfs/dbraw/zinc/26/81/67/648268167.db2.gz FQEBYTUMBOROIG-ZETOZRRWSA-N 1 0 385.295 2.477 20 0 GEADRO CCC[NH2+]CCNC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418007342 648268976 /nfs/dbraw/zinc/26/89/76/648268976.db2.gz GGCWEXZWTRAEKP-HNNXBMFYSA-N 1 0 397.317 2.162 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)N[C@H](C)CCC[NH3+])C2=O)ccc1Br ZINC000418006316 648269175 /nfs/dbraw/zinc/26/91/75/648269175.db2.gz DYQSHUKFKJOAEH-DOMZBBRYSA-N 1 0 397.317 2.289 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3C[NH2+]CC[C@H]3C)nc12 ZINC000418015869 648270008 /nfs/dbraw/zinc/27/00/08/648270008.db2.gz FFDUXZIBVKSWSJ-ABAIWWIYSA-N 1 0 394.317 2.245 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)N[C@H](C)CC[NH3+])C2=O)ccc1Br ZINC000418016740 648270414 /nfs/dbraw/zinc/27/04/14/648270414.db2.gz RNNOIURDMAPMCL-IUODEOHRSA-N 1 0 397.317 2.289 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)nc12 ZINC000418017932 648270460 /nfs/dbraw/zinc/27/04/60/648270460.db2.gz HYHKZFUHYBDOJF-SWLSCSKDSA-N 1 0 394.317 2.245 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)NC[C@H]([NH3+])C(C)C)C2=O)ccc1Br ZINC000418017823 648270498 /nfs/dbraw/zinc/27/04/98/648270498.db2.gz UEHDYJKOVBGWPK-GJZGRUSLSA-N 1 0 397.317 2.145 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)C1 ZINC000418017871 648270529 /nfs/dbraw/zinc/27/05/29/648270529.db2.gz HUZSORMXVCQQPD-AWEZNQCLSA-N 1 0 394.317 2.341 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[NH2+]C(C)(C)C3)nc12 ZINC000418018992 648270830 /nfs/dbraw/zinc/27/08/30/648270830.db2.gz JXQGRZUEYZCWQJ-UHFFFAOYSA-N 1 0 394.317 2.341 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])C2=O)ccc1Br ZINC000418018704 648270912 /nfs/dbraw/zinc/27/09/12/648270912.db2.gz VNHKJMCFVBWNMW-SWLSCSKDSA-N 1 0 397.317 2.242 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000418019888 648271335 /nfs/dbraw/zinc/27/13/35/648271335.db2.gz LZWOWTLZCBBEMQ-OAHLLOKOSA-N 1 0 394.317 2.341 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CCCC[C@@H]3C[NH3+])nc12 ZINC000418026082 648271671 /nfs/dbraw/zinc/27/16/71/648271671.db2.gz VSABRGJYYROGEP-OAHLLOKOSA-N 1 0 394.317 2.471 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)nc12 ZINC000418025313 648271741 /nfs/dbraw/zinc/27/17/41/648271741.db2.gz UXZKJQYJPNMURC-QWHCGFSZSA-N 1 0 394.317 2.326 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)CCC[NH3+])nc12 ZINC000418029843 648272180 /nfs/dbraw/zinc/27/21/80/648272180.db2.gz ZWRAHIVKGGYPTM-LBPRGKRZSA-N 1 0 382.306 2.374 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)nc12 ZINC000418026590 648272339 /nfs/dbraw/zinc/27/23/39/648272339.db2.gz WFSAQQJXOULTJU-DOMZBBRYSA-N 1 0 394.317 2.326 20 0 GEADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418035120 648272740 /nfs/dbraw/zinc/27/27/40/648272740.db2.gz PIKLHJOHLUVMEW-AWEZNQCLSA-N 1 0 381.274 2.108 20 0 GEADRO [NH3+]CCN(CCO)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000418036788 648272859 /nfs/dbraw/zinc/27/28/59/648272859.db2.gz CMLREYDWWXFRRQ-OAHLLOKOSA-N 1 0 388.281 2.392 20 0 GEADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)NC[C@H]1C[NH2+]CCCO1 ZINC000418035122 648272864 /nfs/dbraw/zinc/27/28/64/648272864.db2.gz PIKLHJOHLUVMEW-CQSZACIVSA-N 1 0 381.274 2.108 20 0 GEADRO CC(C)[C@@H](CC(F)(F)F)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418052976 648273714 /nfs/dbraw/zinc/27/37/14/648273714.db2.gz XZTPNBMTLXLQCK-GHMZBOCLSA-N 1 0 378.361 2.099 20 0 GEADRO CCn1c(CNC(=O)N2CC[NH2+][C@@H](C)C2)nc2cc(Br)ccc21 ZINC000418068328 648274599 /nfs/dbraw/zinc/27/45/99/648274599.db2.gz PUHGDUKIJBZIGP-NSHDSACASA-N 1 0 380.290 2.322 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418069810 648274894 /nfs/dbraw/zinc/27/48/94/648274894.db2.gz QENGHVCEUBVREF-CYBMUJFWSA-N 1 0 399.333 2.113 20 0 GEADRO CCn1c(CNC(=O)N[C@@H]2CCC[NH2+]C2)nc2cc(Br)ccc21 ZINC000418072361 648275015 /nfs/dbraw/zinc/27/50/15/648275015.db2.gz XQPFNEJSNYZYPR-GFCCVEGCSA-N 1 0 380.290 2.370 20 0 GEADRO CCCN(C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C1CC[NH2+]CC1 ZINC000418075049 648275592 /nfs/dbraw/zinc/27/55/92/648275592.db2.gz OWTFCXIUWRKNIX-UHFFFAOYSA-N 1 0 387.933 2.417 20 0 GEADRO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000418080362 648276024 /nfs/dbraw/zinc/27/60/24/648276024.db2.gz MJUJQLARNRTSBR-CYBMUJFWSA-N 1 0 375.300 2.107 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]1 ZINC000418078799 648276039 /nfs/dbraw/zinc/27/60/39/648276039.db2.gz JWZZQAYHZIWLMM-BXUZGUMPSA-N 1 0 385.295 2.492 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418087545 648277328 /nfs/dbraw/zinc/27/73/28/648277328.db2.gz HLUXKLKIZSXGJP-UMVBOHGHSA-N 1 0 395.301 2.124 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418090306 648278432 /nfs/dbraw/zinc/27/84/32/648278432.db2.gz NOXNWYITURTXSP-HIFRSBDPSA-N 1 0 397.317 2.227 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000418093710 648278726 /nfs/dbraw/zinc/27/87/26/648278726.db2.gz HALXSWDWBBLORE-VHDGCEQUSA-N 1 0 381.318 2.468 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418100288 648279548 /nfs/dbraw/zinc/27/95/48/648279548.db2.gz OKEZBMJLFZTAER-IVMMDQJWSA-N 1 0 381.318 2.325 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418102087 648279920 /nfs/dbraw/zinc/27/99/20/648279920.db2.gz RGXCBKVRIHLEJM-HOCLYGCPSA-N 1 0 381.318 2.421 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418104821 648279943 /nfs/dbraw/zinc/27/99/43/648279943.db2.gz KVLRXVGCMPDPDI-GZBFAFLISA-N 1 0 384.322 2.113 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418104824 648280059 /nfs/dbraw/zinc/28/00/59/648280059.db2.gz KVLRXVGCMPDPDI-VNHYZAJKSA-N 1 0 384.322 2.113 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N1CC[NH2+]CC1 ZINC000418116518 648281815 /nfs/dbraw/zinc/28/18/15/648281815.db2.gz QWNRWGAZTXROJY-GFCCVEGCSA-N 1 0 387.265 2.227 20 0 GEADRO Cc1cc(Br)cn2c(CN3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)cnc12 ZINC000418114938 648281830 /nfs/dbraw/zinc/28/18/30/648281830.db2.gz OULUTXSRNXQDEW-KBPBESRZSA-N 1 0 381.318 2.292 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(C)nn2C)cc1Br ZINC000418118376 648282378 /nfs/dbraw/zinc/28/23/78/648282378.db2.gz SPUKSFZMMZWNPM-CQSZACIVSA-N 1 0 382.302 2.440 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)NCc2ccc(I)cc2Cl)C1 ZINC000418120383 648282579 /nfs/dbraw/zinc/28/25/79/648282579.db2.gz HMUAXVRNBJOGHM-VIFPVBQESA-N 1 0 393.656 2.435 20 0 GEADRO O=C(NCc1ccc(Cl)cc1F)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418132609 648283748 /nfs/dbraw/zinc/28/37/48/648283748.db2.gz DXJTWXZLPGEXDQ-CYBMUJFWSA-N 1 0 382.789 2.114 20 0 GEADRO O=C(NCc1ccc(I)cc1Cl)NC[C@@H]1CCC[NH2+]1 ZINC000418130032 648283812 /nfs/dbraw/zinc/28/38/12/648283812.db2.gz VSFHOLULBXUQFW-NSHDSACASA-N 1 0 393.656 2.496 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(I)c(C)c2)C1 ZINC000418141837 648284559 /nfs/dbraw/zinc/28/45/59/648284559.db2.gz MBKHLFACANVZCP-CYBMUJFWSA-N 1 0 387.265 2.493 20 0 GEADRO CCC[NH2+]CCNC(=O)NCc1ccc(I)c(C)c1 ZINC000418143803 648284641 /nfs/dbraw/zinc/28/46/41/648284641.db2.gz REENBHJRNAHJJA-UHFFFAOYSA-N 1 0 375.254 2.398 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000418164704 648285847 /nfs/dbraw/zinc/28/58/47/648285847.db2.gz HYQSCWWYEVDTCC-JTQLQIEISA-N 1 0 381.420 2.036 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000418164705 648285983 /nfs/dbraw/zinc/28/59/83/648285983.db2.gz HYQSCWWYEVDTCC-SNVBAGLBSA-N 1 0 381.420 2.036 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CCCO1 ZINC000418170497 648286194 /nfs/dbraw/zinc/28/61/94/648286194.db2.gz ZJBOMZYKJVMQDA-RISCZKNCSA-N 1 0 384.274 2.032 20 0 GEADRO C[C@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1F ZINC000418175408 648286610 /nfs/dbraw/zinc/28/66/10/648286610.db2.gz ASAIDOOVOSANAB-JSGCOSHPSA-N 1 0 399.308 2.338 20 0 GEADRO COCC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000418174288 648286743 /nfs/dbraw/zinc/28/67/43/648286743.db2.gz UEWHYYZJFRNLFH-WFASDCNBSA-N 1 0 376.284 2.359 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418191138 648287028 /nfs/dbraw/zinc/28/70/28/648287028.db2.gz KFZNSADQMAGIBP-HNNXBMFYSA-N 1 0 384.322 2.209 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418226306 648288163 /nfs/dbraw/zinc/28/81/63/648288163.db2.gz AYUNZXWFTPTLPD-HNNXBMFYSA-N 1 0 387.933 2.335 20 0 GEADRO COCC1(CNC(=O)NCc2nc(C)c(Br)s2)CC[NH2+]CC1 ZINC000418235977 648289354 /nfs/dbraw/zinc/28/93/54/648289354.db2.gz LXIBEYRZASHXIC-UHFFFAOYSA-N 1 0 391.335 2.029 20 0 GEADRO O=C(NC/C=C\c1ccc(Br)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000418255903 648290066 /nfs/dbraw/zinc/29/00/66/648290066.db2.gz CVHQXIMXAGERMQ-YYZONTRBSA-N 1 0 393.329 2.151 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC(c2cccc(Br)c2)CC1 ZINC000418288727 648291160 /nfs/dbraw/zinc/29/11/60/648291160.db2.gz BMQNUGRUFCZABD-UHFFFAOYSA-N 1 0 395.345 2.243 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000418295979 648291677 /nfs/dbraw/zinc/29/16/77/648291677.db2.gz IMQQJQIQYGFBFS-LBPRGKRZSA-N 1 0 387.347 2.262 20 0 GEADRO C[C@H](CN(C)C(=O)NCCN1CC[NH2+]CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000418299085 648291722 /nfs/dbraw/zinc/29/17/22/648291722.db2.gz NJRKKHAGFHGUTB-CYBMUJFWSA-N 1 0 389.327 2.307 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418299078 648291745 /nfs/dbraw/zinc/29/17/45/648291745.db2.gz NHOMJZARJOYSAU-CQSZACIVSA-N 1 0 383.334 2.447 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC(c2ccccc2Br)CC1 ZINC000418304379 648292024 /nfs/dbraw/zinc/29/20/24/648292024.db2.gz XLTSYQPJVZUJCI-UHFFFAOYSA-N 1 0 395.345 2.243 20 0 GEADRO O=C(NC1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418302920 648292184 /nfs/dbraw/zinc/29/21/84/648292184.db2.gz CENPZWHUEHKDOA-UHFFFAOYSA-N 1 0 381.318 2.028 20 0 GEADRO C[C@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000418331396 648293361 /nfs/dbraw/zinc/29/33/61/648293361.db2.gz CLSXWZCZFFCHDO-AVGNSLFASA-N 1 0 390.311 2.420 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418343863 648293617 /nfs/dbraw/zinc/29/36/17/648293617.db2.gz KFWNQMZZUHNVBO-ABAIWWIYSA-N 1 0 388.281 2.311 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418343864 648293676 /nfs/dbraw/zinc/29/36/76/648293676.db2.gz KFWNQMZZUHNVBO-IAQYHMDHSA-N 1 0 388.281 2.311 20 0 GEADRO C[C@H](NC(=O)N(CCO)Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]C1 ZINC000418342390 648293690 /nfs/dbraw/zinc/29/36/90/648293690.db2.gz MXVVJKZDCLKWIX-NWDGAFQWSA-N 1 0 390.347 2.403 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)N(CCO)Cc1ccc(Br)s1 ZINC000418344933 648294127 /nfs/dbraw/zinc/29/41/27/648294127.db2.gz SLLIAWWKGJCVNB-NSHDSACASA-N 1 0 376.320 2.014 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418346454 648294236 /nfs/dbraw/zinc/29/42/36/648294236.db2.gz MMFKPMKVMISSGV-HOTGVXAUSA-N 1 0 398.345 2.289 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418384779 648295874 /nfs/dbraw/zinc/29/58/74/648295874.db2.gz OOHDAUHYTYNFOQ-ZIAGYGMSSA-N 1 0 385.249 2.500 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418389561 648296061 /nfs/dbraw/zinc/29/60/61/648296061.db2.gz OFCCZIBCBBJQII-ZDUSSCGKSA-N 1 0 398.305 2.306 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000418394463 648296065 /nfs/dbraw/zinc/29/60/65/648296065.db2.gz SARDKEGSTCQHOX-LBPRGKRZSA-N 1 0 387.311 2.316 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)N[C@H]1CC[NH2+]C1 ZINC000418396669 648296540 /nfs/dbraw/zinc/29/65/40/648296540.db2.gz ZPZBRSCTWCJRAV-JOYOIKCWSA-N 1 0 396.207 2.162 20 0 GEADRO O=C(N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)N[C@@H]1CC[NH2+]C1 ZINC000418396670 648296547 /nfs/dbraw/zinc/29/65/47/648296547.db2.gz ZPZBRSCTWCJRAV-SKDRFNHKSA-N 1 0 396.207 2.162 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000418404060 648297053 /nfs/dbraw/zinc/29/70/53/648297053.db2.gz CJDUJUQRKINPOK-ZBFHGGJFSA-N 1 0 384.318 2.471 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418478501 648297396 /nfs/dbraw/zinc/29/73/96/648297396.db2.gz ZDLFBQOLWCZLIS-GOEBONIOSA-N 1 0 386.334 2.417 20 0 GEADRO CCC[NH2+]CCNC(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000418486509 648297828 /nfs/dbraw/zinc/29/78/28/648297828.db2.gz GBYGJPOYPCAXDI-HNNXBMFYSA-N 1 0 386.334 2.207 20 0 GEADRO [NH3+][C@H](CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C1CC1 ZINC000418483855 648297865 /nfs/dbraw/zinc/29/78/65/648297865.db2.gz CJKFSUWWFXCIHP-CYBMUJFWSA-N 1 0 387.347 2.075 20 0 GEADRO C[C@H](C[NH3+])NC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000418517999 648299423 /nfs/dbraw/zinc/29/94/23/648299423.db2.gz WRZBYKTWZVLTOR-YPMHNXCESA-N 1 0 387.265 2.212 20 0 GEADRO C[C@]1(CNC(=O)N(CCO)Cc2cc(Br)cs2)CCC[NH2+]C1 ZINC000418536763 648300561 /nfs/dbraw/zinc/30/05/61/648300561.db2.gz IZYNKZOPLJZTKA-HNNXBMFYSA-N 1 0 390.347 2.404 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000418573697 648302418 /nfs/dbraw/zinc/30/24/18/648302418.db2.gz FRDVCGZBZKSSRV-JYJNAYRXSA-N 1 0 398.345 2.478 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418586287 648303186 /nfs/dbraw/zinc/30/31/86/648303186.db2.gz FIJXSZJSUJGGIB-CMPLNLGQSA-N 1 0 376.320 2.013 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418591311 648303586 /nfs/dbraw/zinc/30/35/86/648303586.db2.gz UQHVSVUMQXUUBG-NEPJUHHUSA-N 1 0 376.320 2.284 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC[NH2+]1 ZINC000418599680 648304010 /nfs/dbraw/zinc/30/40/10/648304010.db2.gz JQHVLJQZRUFFDM-XPKDYRNWSA-N 1 0 384.318 2.040 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418608646 648304444 /nfs/dbraw/zinc/30/44/44/648304444.db2.gz CWYULPGNXUMHEH-PBHICJAKSA-N 1 0 395.345 2.274 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CC[NH2+]1 ZINC000418612790 648305113 /nfs/dbraw/zinc/30/51/13/648305113.db2.gz WAQYXEBNABJOJD-JQWIXIFHSA-N 1 0 376.320 2.155 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418614951 648305287 /nfs/dbraw/zinc/30/52/87/648305287.db2.gz XQWXKHZQPWHANT-INWMFGNUSA-N 1 0 384.318 2.040 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)C1CCCC1 ZINC000418625891 648305533 /nfs/dbraw/zinc/30/55/33/648305533.db2.gz RCRCJGAKGPNMMV-HUUCEWRRSA-N 1 0 388.281 2.438 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N(CCO)Cc1cccc(Br)c1)C1CCCC1 ZINC000418624962 648305614 /nfs/dbraw/zinc/30/56/14/648305614.db2.gz PWVNROLOSNWSPS-MRXNPFEDSA-N 1 0 384.318 2.471 20 0 GEADRO [NH3+]C[C@H](NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)C1CCCC1 ZINC000418625892 648305621 /nfs/dbraw/zinc/30/56/21/648305621.db2.gz RCRCJGAKGPNMMV-LSDHHAIUSA-N 1 0 388.281 2.438 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418720500 648308414 /nfs/dbraw/zinc/30/84/14/648308414.db2.gz JXLSTXSBVQKCDE-VXGBXAGGSA-N 1 0 384.278 2.186 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000418724359 648308442 /nfs/dbraw/zinc/30/84/42/648308442.db2.gz OEWOUMUTGUUYPN-HCKVZZMMSA-N 1 0 388.281 2.438 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418736111 648308702 /nfs/dbraw/zinc/30/87/02/648308702.db2.gz YCKPYMUDBZNKHP-NEPJUHHUSA-N 1 0 387.297 2.151 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418753360 648309082 /nfs/dbraw/zinc/30/90/82/648309082.db2.gz VKEQQIORKKFKQV-DOMZBBRYSA-N 1 0 388.281 2.453 20 0 GEADRO O=C(NCCc1ccc(Cl)s1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418769644 648311200 /nfs/dbraw/zinc/31/12/00/648311200.db2.gz VPNFWDADOIIFSI-DZGCQCFKSA-N 1 0 383.945 2.441 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)N(CCO)Cc1cccc(Br)c1 ZINC000418774407 648311758 /nfs/dbraw/zinc/31/17/58/648311758.db2.gz RIRHNUGJQQBISW-MRXNPFEDSA-N 1 0 384.318 2.485 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC000418797338 648313076 /nfs/dbraw/zinc/31/30/76/648313076.db2.gz UVDJBOQDWDTWRX-IJEWVQPXSA-N 1 0 384.318 2.027 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000418795759 648313078 /nfs/dbraw/zinc/31/30/78/648313078.db2.gz SLIAYSGXCZXDFD-SWLSCSKDSA-N 1 0 376.284 2.095 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000418814990 648313913 /nfs/dbraw/zinc/31/39/13/648313913.db2.gz HTCXRDABRKMYID-PVXIVEMSSA-N 1 0 384.307 2.424 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000418823206 648314263 /nfs/dbraw/zinc/31/42/63/648314263.db2.gz BLOOYXMEFGJSGO-XFBWCDHKSA-N 1 0 394.313 2.007 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418824452 648314804 /nfs/dbraw/zinc/31/48/04/648314804.db2.gz JCXYPZSCMSHQLP-DUVNUKRYSA-N 1 0 394.313 2.022 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000418841731 648316665 /nfs/dbraw/zinc/31/66/65/648316665.db2.gz HOPWHCLYAFGJBX-CZUORRHYSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418847630 648317060 /nfs/dbraw/zinc/31/70/60/648317060.db2.gz VVUZOPTXSHPEEN-ACJLOTCBSA-N 1 0 396.329 2.002 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)Cc1ccc(Cl)cc1Cl ZINC000418853940 648317805 /nfs/dbraw/zinc/31/78/05/648317805.db2.gz KGISZWXYEBFJEP-ZFWWWQNUSA-N 1 0 386.323 2.484 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000418866008 648319442 /nfs/dbraw/zinc/31/94/42/648319442.db2.gz NEBMEWCXAYJNCF-DOMZBBRYSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc(Br)cn1 ZINC000418868441 648319907 /nfs/dbraw/zinc/31/99/07/648319907.db2.gz PSDALADFLCAUCP-ABAIWWIYSA-N 1 0 397.317 2.045 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418889515 648321204 /nfs/dbraw/zinc/32/12/04/648321204.db2.gz HVPGVOBIYJSANA-HDJSIYSDSA-N 1 0 382.291 2.392 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418937407 648322459 /nfs/dbraw/zinc/32/24/59/648322459.db2.gz LCKYVQXJDBVIPY-LRDDRELGSA-N 1 0 394.313 2.214 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418938630 648322837 /nfs/dbraw/zinc/32/28/37/648322837.db2.gz GZKIESBHLZNMOB-WBMJQRKESA-N 1 0 394.313 2.059 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418938641 648322952 /nfs/dbraw/zinc/32/29/52/648322952.db2.gz LSUPKIAGOORBQS-XHDPSFHLSA-N 1 0 382.302 2.212 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21)[C@@H]1CC[NH2+]C1 ZINC000418939143 648322990 /nfs/dbraw/zinc/32/29/90/648322990.db2.gz HDBHKVNGPJUBHS-ZBFHGGJFSA-N 1 0 394.313 2.153 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418942019 648323224 /nfs/dbraw/zinc/32/32/24/648323224.db2.gz LHUJWADWSFOVHZ-WBMJQRKESA-N 1 0 394.313 2.140 20 0 GEADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418946344 648323778 /nfs/dbraw/zinc/32/37/78/648323778.db2.gz OJHGSAXFGJQBAJ-LRDDRELGSA-N 1 0 394.313 2.132 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418953523 648325118 /nfs/dbraw/zinc/32/51/18/648325118.db2.gz WJIVBLMFOQLQFO-HZPDHXFCSA-N 1 0 394.313 2.275 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418954742 648325310 /nfs/dbraw/zinc/32/53/10/648325310.db2.gz XNOZYJMBRYLTCR-LRDDRELGSA-N 1 0 396.329 2.378 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1Br ZINC000418981781 648326574 /nfs/dbraw/zinc/32/65/74/648326574.db2.gz AGWQCMLFZRFYCO-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419022098 648328070 /nfs/dbraw/zinc/32/80/70/648328070.db2.gz MYRRIHLANOCUMY-ZDUSSCGKSA-N 1 0 396.329 2.097 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419031608 648328682 /nfs/dbraw/zinc/32/86/82/648328682.db2.gz AGVQZWMESPFBDY-ZDUSSCGKSA-N 1 0 398.301 2.023 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419034165 648329035 /nfs/dbraw/zinc/32/90/35/648329035.db2.gz CZUWUAMPINBKGM-FZMZJTMJSA-N 1 0 398.301 2.023 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419058172 648331443 /nfs/dbraw/zinc/33/14/43/648331443.db2.gz VVQKJOJDAJLOGL-SLTAFYQDSA-N 1 0 396.329 2.273 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000419057595 648331448 /nfs/dbraw/zinc/33/14/48/648331448.db2.gz UURHZXHZOBBQLJ-STQMWFEESA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419059319 648331944 /nfs/dbraw/zinc/33/19/44/648331944.db2.gz XJVBXJOIWXJUGS-CQSZACIVSA-N 1 0 398.345 2.330 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000419060236 648331981 /nfs/dbraw/zinc/33/19/81/648331981.db2.gz YUAHWTGOBQQRFC-BJJXKVORSA-N 1 0 396.329 2.143 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419078691 648332975 /nfs/dbraw/zinc/33/29/75/648332975.db2.gz ZFSLYLWDWYSETA-OLZOCXBDSA-N 1 0 388.693 2.105 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419091219 648333307 /nfs/dbraw/zinc/33/33/07/648333307.db2.gz DBQYQSWVEQGRHV-NSHDSACASA-N 1 0 392.352 2.315 20 0 GEADRO O=C(NCCSCc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419097415 648333716 /nfs/dbraw/zinc/33/37/16/648333716.db2.gz PQXQJRCGKOSJFD-CYBMUJFWSA-N 1 0 390.336 2.211 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)[C@H]1C[NH3+] ZINC000419098363 648333764 /nfs/dbraw/zinc/33/37/64/648333764.db2.gz GVVKUTOSRSXSLW-GWCFXTLKSA-N 1 0 380.901 2.152 20 0 GEADRO O=C(NCCSCc1ccc(Cl)cc1Cl)C(=O)N1CCC[NH2+]CC1 ZINC000419101212 648334082 /nfs/dbraw/zinc/33/40/82/648334082.db2.gz WMQKMFNEUOYMBC-UHFFFAOYSA-N 1 0 390.336 2.165 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000419098736 648334186 /nfs/dbraw/zinc/33/41/86/648334186.db2.gz HHDJSAORSWXNRW-SNVBAGLBSA-N 1 0 380.901 2.152 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419109047 648334590 /nfs/dbraw/zinc/33/45/90/648334590.db2.gz REUJFBVSXHGXKB-CMPLNLGQSA-N 1 0 380.901 2.200 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000419127469 648335588 /nfs/dbraw/zinc/33/55/88/648335588.db2.gz QOSMDVZCMHELKG-RLCCDNCMSA-N 1 0 377.897 2.413 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)C1CC1 ZINC000419127544 648335953 /nfs/dbraw/zinc/33/59/53/648335953.db2.gz RBQFJXOLPBUOKD-CVEARBPZSA-N 1 0 377.897 2.461 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419132090 648336346 /nfs/dbraw/zinc/33/63/46/648336346.db2.gz AWOLAJDFFCJGAP-HNNXBMFYSA-N 1 0 382.302 2.007 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419135461 648336669 /nfs/dbraw/zinc/33/66/69/648336669.db2.gz MTKZOYFXLYWYDP-AAEUAGOBSA-N 1 0 388.295 2.122 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000419154517 648337498 /nfs/dbraw/zinc/33/74/98/648337498.db2.gz RMKVBYSTOCVAPY-LNSITVRQSA-N 1 0 382.302 2.260 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000419157223 648337913 /nfs/dbraw/zinc/33/79/13/648337913.db2.gz WCANIUIBNIPMLT-RYUDHWBXSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 ZINC000419156606 648338058 /nfs/dbraw/zinc/33/80/58/648338058.db2.gz TUNOXMCOCNORBT-LBPRGKRZSA-N 1 0 384.307 2.339 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419163840 648338788 /nfs/dbraw/zinc/33/87/88/648338788.db2.gz KQRICYVSWGAFOQ-CQSZACIVSA-N 1 0 390.311 2.116 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419168966 648338820 /nfs/dbraw/zinc/33/88/20/648338820.db2.gz TVILSYDVTOAASC-DOMZBBRYSA-N 1 0 382.302 2.007 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000419170293 648339378 /nfs/dbraw/zinc/33/93/78/648339378.db2.gz VVNQJHLQNCJWKS-UONOGXRCSA-N 1 0 388.295 2.012 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000419170297 648339441 /nfs/dbraw/zinc/33/94/41/648339441.db2.gz VVNQJHLQNCJWKS-ZIAGYGMSSA-N 1 0 388.295 2.012 20 0 GEADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]C1 ZINC000419212747 648342341 /nfs/dbraw/zinc/34/23/41/648342341.db2.gz HRAXQGWPOZQIAT-KDOFPFPSSA-N 1 0 381.929 2.499 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419243532 648342627 /nfs/dbraw/zinc/34/26/27/648342627.db2.gz UJEJMKMFVTXMDF-WFASDCNBSA-N 1 0 381.929 2.499 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000419249763 648342774 /nfs/dbraw/zinc/34/27/74/648342774.db2.gz PNWGZOZPWMRVSV-GCZXYKMCSA-N 1 0 398.326 2.098 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000419236938 648342820 /nfs/dbraw/zinc/34/28/20/648342820.db2.gz BKWZAALGFANBME-MDZLAQPJSA-N 1 0 398.326 2.098 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)c1cccc(Cl)c1Cl ZINC000419256583 648343231 /nfs/dbraw/zinc/34/32/31/648343231.db2.gz XRNOKKNDPFFTRK-CWSCBRNRSA-N 1 0 388.295 2.400 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1csc(Br)c1)C1CCCCC1 ZINC000419273164 648343643 /nfs/dbraw/zinc/34/36/43/648343643.db2.gz AGKJXWZBMDGTOV-GFCCVEGCSA-N 1 0 388.331 2.151 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419277440 648343826 /nfs/dbraw/zinc/34/38/26/648343826.db2.gz GJUIRYUCOBFSBZ-LBPRGKRZSA-N 1 0 384.307 2.467 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419295942 648345262 /nfs/dbraw/zinc/34/52/62/648345262.db2.gz DIOZWHWVEJPFQB-AWEZNQCLSA-N 1 0 384.318 2.172 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419296699 648345456 /nfs/dbraw/zinc/34/54/56/648345456.db2.gz FDDYDHDITMWKAE-ZIAGYGMSSA-N 1 0 396.329 2.186 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419297520 648345595 /nfs/dbraw/zinc/34/55/95/648345595.db2.gz GLFFDNNRIQRYSZ-UHFFFAOYSA-N 1 0 384.318 2.125 20 0 GEADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCc1sccc1Br ZINC000419303021 648345936 /nfs/dbraw/zinc/34/59/36/648345936.db2.gz RDTOZPXECCEBEL-UHFFFAOYSA-N 1 0 396.310 2.114 20 0 GEADRO C[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000419335383 648348173 /nfs/dbraw/zinc/34/81/73/648348173.db2.gz WDIIPKRGYFAYAC-IPYPFGDCSA-N 1 0 377.312 2.120 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419338399 648348442 /nfs/dbraw/zinc/34/84/42/648348442.db2.gz SKRXFMAODRSEQT-GFCCVEGCSA-N 1 0 382.917 2.242 20 0 GEADRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000419381833 648351209 /nfs/dbraw/zinc/35/12/09/648351209.db2.gz YSPPYJJAMXPHFP-FRRDWIJNSA-N 1 0 382.302 2.480 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000419512156 648355129 /nfs/dbraw/zinc/35/51/29/648355129.db2.gz ZGTGUQRZBPJABG-UONOGXRCSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)cn1 ZINC000419514023 648355522 /nfs/dbraw/zinc/35/55/22/648355522.db2.gz BZUNYHMGBZWZOH-XQQFMLRXSA-N 1 0 385.306 2.002 20 0 GEADRO C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1c(Cl)cccc1Cl ZINC000419517136 648355760 /nfs/dbraw/zinc/35/57/60/648355760.db2.gz LZJPUSRRCILGKU-XIKOKIGWSA-N 1 0 384.307 2.425 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(Br)s1 ZINC000419674473 648362474 /nfs/dbraw/zinc/36/24/74/648362474.db2.gz ACOQERVIHDTQDH-OUAUKWLOSA-N 1 0 388.331 2.131 20 0 GEADRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000419685615 648364354 /nfs/dbraw/zinc/36/43/54/648364354.db2.gz NAJJEOVYYUGSLD-NWDGAFQWSA-N 1 0 391.331 2.391 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(Br)s1 ZINC000419699345 648366820 /nfs/dbraw/zinc/36/68/20/648366820.db2.gz BKGCGGZHPCNVPS-KOLCDFICSA-N 1 0 388.331 2.322 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000419704265 648367291 /nfs/dbraw/zinc/36/72/91/648367291.db2.gz HCQQLRKANQDERV-MXWKQRLJSA-N 1 0 388.331 2.274 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1Br ZINC000419712344 648369460 /nfs/dbraw/zinc/36/94/60/648369460.db2.gz PCDBCNYVBMEAQB-NSHDSACASA-N 1 0 377.304 2.003 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000419717045 648370895 /nfs/dbraw/zinc/37/08/95/648370895.db2.gz UNRFSMDITGOUHC-MNOVXSKESA-N 1 0 388.331 2.288 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)s2)CC1 ZINC000419719194 648371146 /nfs/dbraw/zinc/37/11/46/648371146.db2.gz XCFIRZRBBLIACV-NXEZZACHSA-N 1 0 388.331 2.274 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)C1CCCC1 ZINC000419736304 648373359 /nfs/dbraw/zinc/37/33/59/648373359.db2.gz XDBQQDBRYZDXDJ-QWHCGFSZSA-N 1 0 386.279 2.177 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419753669 648374934 /nfs/dbraw/zinc/37/49/34/648374934.db2.gz ABBVRBAMVABSSQ-LLVKDONJSA-N 1 0 398.237 2.311 20 0 GEADRO CO[C@@](C)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000419753475 648374971 /nfs/dbraw/zinc/37/49/71/648374971.db2.gz YNTSKYCAAAXYGA-AWEZNQCLSA-N 1 0 377.304 2.001 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000419757148 648375274 /nfs/dbraw/zinc/37/52/74/648375274.db2.gz IAVLYPWOYWXRKD-JTQLQIEISA-N 1 0 380.901 2.285 20 0 GEADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C(=O)NCCC[NH3+] ZINC000419765080 648376221 /nfs/dbraw/zinc/37/62/21/648376221.db2.gz QNMUBZUINNAJHE-JTQLQIEISA-N 1 0 380.901 2.414 20 0 GEADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419766443 648376312 /nfs/dbraw/zinc/37/63/12/648376312.db2.gz RUHRUOCHMZJEIT-VHSXEESVSA-N 1 0 380.901 2.413 20 0 GEADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419766442 648376481 /nfs/dbraw/zinc/37/64/81/648376481.db2.gz RUHRUOCHMZJEIT-UWVGGRQHSA-N 1 0 380.901 2.413 20 0 GEADRO O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC1CC[NH2+]CC1 ZINC000419769705 648376739 /nfs/dbraw/zinc/37/67/39/648376739.db2.gz CUMWQABZYKUWDZ-OAHLLOKOSA-N 1 0 398.276 2.024 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CCC1 ZINC000419781015 648378273 /nfs/dbraw/zinc/37/82/73/648378273.db2.gz PCYULLFQTVHYOX-AWEZNQCLSA-N 1 0 398.276 2.153 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000419786282 648379200 /nfs/dbraw/zinc/37/92/00/648379200.db2.gz YFDGQIIJPZJLMM-KBPBESRZSA-N 1 0 386.265 2.009 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000419806934 648380476 /nfs/dbraw/zinc/38/04/76/648380476.db2.gz FIEVGUJKUQBJCQ-SWLSCSKDSA-N 1 0 396.329 2.087 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419818134 648381726 /nfs/dbraw/zinc/38/17/26/648381726.db2.gz LEKCJDWRKXBKRM-FZKQIMNGSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419824244 648382311 /nfs/dbraw/zinc/38/23/11/648382311.db2.gz PKBIXGGDYGECFL-MLGOLLRUSA-N 1 0 396.329 2.130 20 0 GEADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C(=O)NCCCC[NH3+] ZINC000419830293 648383176 /nfs/dbraw/zinc/38/31/76/648383176.db2.gz JUOVEMPHWUTGST-UHFFFAOYSA-N 1 0 388.281 2.180 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCCCC[NH3+])ccc1Br ZINC000419834098 648383550 /nfs/dbraw/zinc/38/35/50/648383550.db2.gz REJGOEZKUOAWBP-HNNXBMFYSA-N 1 0 382.302 2.276 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000419836742 648384164 /nfs/dbraw/zinc/38/41/64/648384164.db2.gz CCGTYCHEQZXTMD-LSDHHAIUSA-N 1 0 398.276 2.120 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000419836636 648384178 /nfs/dbraw/zinc/38/41/78/648384178.db2.gz ZMJRBOUJJVMECC-XJKSGUPXSA-N 1 0 396.329 2.097 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000419841460 648384382 /nfs/dbraw/zinc/38/43/82/648384382.db2.gz JYPQKFHTXKJGEM-QWRGUYRKSA-N 1 0 386.315 2.042 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000419853718 648385201 /nfs/dbraw/zinc/38/52/01/648385201.db2.gz ATKPJVLVACXXBO-ZUZCIYMTSA-N 1 0 388.295 2.073 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419852889 648385240 /nfs/dbraw/zinc/38/52/40/648385240.db2.gz DKATWGOGYYVXFN-QWHCGFSZSA-N 1 0 394.313 2.011 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000419851733 648385264 /nfs/dbraw/zinc/38/52/64/648385264.db2.gz PBBFCXYEVORMFA-MRXNPFEDSA-N 1 0 375.519 2.152 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000419853716 648385342 /nfs/dbraw/zinc/38/53/42/648385342.db2.gz ATKPJVLVACXXBO-BONVTDFDSA-N 1 0 388.295 2.073 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC000419863230 648385930 /nfs/dbraw/zinc/38/59/30/648385930.db2.gz NRNFGLICTMRJKM-HUUCEWRRSA-N 1 0 398.276 2.105 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419895476 648386788 /nfs/dbraw/zinc/38/67/88/648386788.db2.gz OULPQIBAQAEPLD-INIZCTEOSA-N 1 0 394.313 2.056 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000419889796 648386812 /nfs/dbraw/zinc/38/68/12/648386812.db2.gz HJZVNZMLVOXECZ-OWCLPIDISA-N 1 0 381.929 2.343 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000419898164 648386822 /nfs/dbraw/zinc/38/68/22/648386822.db2.gz BHSWJSNJPVYOFS-UHFFFAOYSA-N 1 0 384.318 2.302 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000419898801 648387390 /nfs/dbraw/zinc/38/73/90/648387390.db2.gz XLRHGDWUOIPRAI-AWEZNQCLSA-N 1 0 382.291 2.477 20 0 GEADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000419916493 648388263 /nfs/dbraw/zinc/38/82/63/648388263.db2.gz FPVHHJIMJFYHAE-LBPRGKRZSA-N 1 0 382.291 2.335 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000419931805 648389642 /nfs/dbraw/zinc/38/96/42/648389642.db2.gz DBPNMPSCCHENFX-MLGOLLRUSA-N 1 0 396.329 2.393 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000419933064 648389906 /nfs/dbraw/zinc/38/99/06/648389906.db2.gz DWMSZCHKJSOXAE-JTQLQIEISA-N 1 0 390.709 2.033 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419931892 648389920 /nfs/dbraw/zinc/38/99/20/648389920.db2.gz DGYRHYBNHYPYRQ-STQMWFEESA-N 1 0 394.313 2.153 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000419979279 648392353 /nfs/dbraw/zinc/39/23/53/648392353.db2.gz PHMIUCVUYPEUKW-CYBMUJFWSA-N 1 0 388.281 2.036 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H](C)CC[NH3+])ccc1Br ZINC000419985345 648392810 /nfs/dbraw/zinc/39/28/10/648392810.db2.gz AYZCEMAQNHDXBZ-DOMZBBRYSA-N 1 0 382.302 2.275 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000419984047 648392909 /nfs/dbraw/zinc/39/29/09/648392909.db2.gz CSJJZCWGXNZXNI-CYBMUJFWSA-N 1 0 396.329 2.183 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000419986933 648393209 /nfs/dbraw/zinc/39/32/09/648393209.db2.gz WTVDVLDWCZJCTK-CJNGLKHVSA-N 1 0 377.535 2.383 20 0 GEADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420001179 648394417 /nfs/dbraw/zinc/39/44/17/648394417.db2.gz PMYVBZROLVYJFJ-CVEARBPZSA-N 1 0 394.313 2.371 20 0 GEADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000420001182 648394555 /nfs/dbraw/zinc/39/45/55/648394555.db2.gz PMYVBZROLVYJFJ-JKSUJKDBSA-N 1 0 394.313 2.371 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000419999314 648394637 /nfs/dbraw/zinc/39/46/37/648394637.db2.gz OIQKUORWBQJSNB-YTQUADARSA-N 1 0 395.341 2.472 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000420010127 648395464 /nfs/dbraw/zinc/39/54/64/648395464.db2.gz XBRKZLPSNVSTLL-GFCCVEGCSA-N 1 0 382.302 2.009 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420031392 648397332 /nfs/dbraw/zinc/39/73/32/648397332.db2.gz FKNXKSOXCUBROM-XHBSWPGZSA-N 1 0 394.313 2.138 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC(c2ccccc2Br)CC1)C1CC1 ZINC000420053848 648398372 /nfs/dbraw/zinc/39/83/72/648398372.db2.gz DUZHNROIFQFCMF-INIZCTEOSA-N 1 0 394.313 2.009 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420056222 648398886 /nfs/dbraw/zinc/39/88/86/648398886.db2.gz BEJDTOXMLXYQRK-HNNXBMFYSA-N 1 0 382.302 2.041 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420070492 648399623 /nfs/dbraw/zinc/39/96/23/648399623.db2.gz VLOJHSGMVDGXLD-VXGBXAGGSA-N 1 0 388.331 2.103 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)s2)CCC1 ZINC000420091178 648401174 /nfs/dbraw/zinc/40/11/74/648401174.db2.gz MNVNCWNISKSRGC-SNVBAGLBSA-N 1 0 386.315 2.172 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420102444 648401927 /nfs/dbraw/zinc/40/19/27/648401927.db2.gz NRVPRZLNACLHMJ-LALPHHSUSA-N 1 0 382.302 2.083 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420111761 648402281 /nfs/dbraw/zinc/40/22/81/648402281.db2.gz CZBYTEBCHKVPDO-HIFRSBDPSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000420112291 648402474 /nfs/dbraw/zinc/40/24/74/648402474.db2.gz HIWWHYUQJNJKLV-WQVCFCJDSA-N 1 0 394.313 2.227 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420121571 648403230 /nfs/dbraw/zinc/40/32/30/648403230.db2.gz PLHYTHVLMMDWEM-BBRMVZONSA-N 1 0 396.329 2.300 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000420131368 648404210 /nfs/dbraw/zinc/40/42/10/648404210.db2.gz RXCKCPOJSXDFGW-KCXAZCMYSA-N 1 0 394.313 2.227 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000420136948 648404848 /nfs/dbraw/zinc/40/48/48/648404848.db2.gz GCTVAYRIIQYBJR-YPMHNXCESA-N 1 0 388.295 2.087 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000420137153 648405050 /nfs/dbraw/zinc/40/50/50/648405050.db2.gz WRYCPFKARFCPGX-GFCCVEGCSA-N 1 0 386.323 2.499 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420145020 648405291 /nfs/dbraw/zinc/40/52/91/648405291.db2.gz MYHWSJKAJKLVAQ-BLLLJJGKSA-N 1 0 394.313 2.197 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000420147846 648406114 /nfs/dbraw/zinc/40/61/14/648406114.db2.gz SZDHYDPSNHZAET-CYBMUJFWSA-N 1 0 396.329 2.188 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420148278 648406126 /nfs/dbraw/zinc/40/61/26/648406126.db2.gz UDNYOKKRBZJJHZ-BBRMVZONSA-N 1 0 396.329 2.302 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000420177282 648408328 /nfs/dbraw/zinc/40/83/28/648408328.db2.gz YOVCULPJKKMVMS-WBMJQRKESA-N 1 0 377.535 2.398 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)Nc1ccccc1I ZINC000420358287 648414130 /nfs/dbraw/zinc/41/41/30/648414130.db2.gz FFGVYDYTQLAOLQ-UEKVPHQBSA-N 1 0 387.265 2.206 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000420382274 648415020 /nfs/dbraw/zinc/41/50/20/648415020.db2.gz ZSVVLPDPJVSWJH-ZDUSSCGKSA-N 1 0 387.265 2.207 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(O)(C[NH3+])CC1 ZINC000420404332 648416036 /nfs/dbraw/zinc/41/60/36/648416036.db2.gz NCEHMPFXRHGLGV-SNVBAGLBSA-N 1 0 379.810 2.471 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000420450241 648417624 /nfs/dbraw/zinc/41/76/24/648417624.db2.gz GWUHDHYKKKLDIF-GHMZBOCLSA-N 1 0 377.304 2.254 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420463603 648418109 /nfs/dbraw/zinc/41/81/09/648418109.db2.gz OCHHERNALWRQJS-JSGCOSHPSA-N 1 0 386.901 2.279 20 0 GEADRO C[C@@H]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@H]1C[NH3+] ZINC000420471447 648419742 /nfs/dbraw/zinc/41/97/42/648419742.db2.gz APOOQIIOVHHDGF-VXGBXAGGSA-N 1 0 390.347 2.121 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420474722 648420838 /nfs/dbraw/zinc/42/08/38/648420838.db2.gz KIKJDJOIQPYOBV-AWEZNQCLSA-N 1 0 377.279 2.413 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000420475624 648420930 /nfs/dbraw/zinc/42/09/30/648420930.db2.gz GYCZOSSCHVITRI-GXSJLCMTSA-N 1 0 377.869 2.043 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420483133 648421353 /nfs/dbraw/zinc/42/13/53/648421353.db2.gz VVVBULMBHMTYKL-CMPLNLGQSA-N 1 0 391.331 2.372 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420480512 648421564 /nfs/dbraw/zinc/42/15/64/648421564.db2.gz OYZSQVQDNLNARL-NEPJUHHUSA-N 1 0 382.507 2.293 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420740356 648446785 /nfs/dbraw/zinc/44/67/85/648446785.db2.gz RFPMVDJJNJSQQF-HNNXBMFYSA-N 1 0 390.933 2.470 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000420745616 648448902 /nfs/dbraw/zinc/44/89/02/648448902.db2.gz ZACJEVPCLCGFGV-VIFPVBQESA-N 1 0 383.258 2.442 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420747319 648449387 /nfs/dbraw/zinc/44/93/87/648449387.db2.gz OBDOXSOXNXIFRP-UHFFFAOYSA-N 1 0 387.933 2.159 20 0 GEADRO Cn1c(=O)cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)n(C)c1=O ZINC000420971813 648460495 /nfs/dbraw/zinc/46/04/95/648460495.db2.gz KYBILPQNONXAOY-AWEZNQCLSA-N 1 0 392.297 2.054 20 0 GEADRO CON1CCC([NH2+][C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000421211440 648471712 /nfs/dbraw/zinc/47/17/12/648471712.db2.gz UPBOBGNXVOGMJA-CYBMUJFWSA-N 1 0 384.318 2.411 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000421292731 648484797 /nfs/dbraw/zinc/48/47/97/648484797.db2.gz BLNPOESOOUUHTA-LLVKDONJSA-N 1 0 375.803 2.433 20 0 GEADRO CCCN1C[C@@H](C[NH2+]Cc2ncc(I)s2)CC1=O ZINC000421357223 648488208 /nfs/dbraw/zinc/48/82/08/648488208.db2.gz ZVYFZLBXWXBWSO-SECBINFHSA-N 1 0 379.267 2.096 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)c(=O)n(C)c1=O ZINC000421364381 648488967 /nfs/dbraw/zinc/48/89/67/648488967.db2.gz RUXMRSLJCHMUDR-HNNXBMFYSA-N 1 0 392.297 2.054 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(C)(=O)=O)s2)[C@@H](C)C1 ZINC000421467745 648494280 /nfs/dbraw/zinc/49/42/80/648494280.db2.gz JMVIMBDJVRQNSX-KBPBESRZSA-N 1 0 388.555 2.018 20 0 GEADRO Cc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1Br ZINC000515530130 648499203 /nfs/dbraw/zinc/49/92/03/648499203.db2.gz RZBHLFWOIYFOFA-UHFFFAOYSA-N 1 0 394.273 2.093 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000421678857 648504172 /nfs/dbraw/zinc/50/41/72/648504172.db2.gz FABSSOQWVXNYSL-UHFFFAOYSA-N 1 0 393.289 2.027 20 0 GEADRO CN(CC(=O)NC1CCC([NH+](C)C)CC1)C(=O)c1ccc(Br)o1 ZINC000421686108 648504943 /nfs/dbraw/zinc/50/49/43/648504943.db2.gz YVYHVSNRAAVTBE-UHFFFAOYSA-N 1 0 386.290 2.103 20 0 GEADRO CN(CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(Br)s1 ZINC000421704343 648505400 /nfs/dbraw/zinc/50/54/00/648505400.db2.gz OKUIJALIMSITBB-NSHDSACASA-N 1 0 388.331 2.135 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000421708003 648505431 /nfs/dbraw/zinc/50/54/31/648505431.db2.gz YVBNUAQGSWFWRS-JKSUJKDBSA-N 1 0 394.313 2.355 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000421709947 648506111 /nfs/dbraw/zinc/50/61/11/648506111.db2.gz IAEKATKPZTWLDD-JSGCOSHPSA-N 1 0 380.286 2.428 20 0 GEADRO Cn1cc(I)c(C[NH2+][C@@H]2CCc3cccnc3CC2)n1 ZINC000421850102 648509598 /nfs/dbraw/zinc/50/95/98/648509598.db2.gz CTOPDDLONXLPSQ-GFCCVEGCSA-N 1 0 382.249 2.457 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1Cc1ccccc1Br ZINC000421914837 648511694 /nfs/dbraw/zinc/51/16/94/648511694.db2.gz HMVOTLJZOHBKRD-AEFFLSMTSA-N 1 0 392.341 2.373 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000422274859 648532321 /nfs/dbraw/zinc/53/23/21/648532321.db2.gz ZNDYQEJPPQHVLE-JTQLQIEISA-N 1 0 390.709 2.175 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000422366681 648540568 /nfs/dbraw/zinc/54/05/68/648540568.db2.gz ZPQNFKLOXZYMOX-ZDUSSCGKSA-N 1 0 398.345 2.466 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000422430958 648545951 /nfs/dbraw/zinc/54/59/51/648545951.db2.gz UMOXXDNYVYKVGJ-CYBMUJFWSA-N 1 0 394.313 2.140 20 0 GEADRO C[N@H+](CCCCNC(=O)C(=O)NCCc1cccc(Br)c1)C1CC1 ZINC000422450499 648546370 /nfs/dbraw/zinc/54/63/70/648546370.db2.gz BYIYIJYWTBSNTD-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422452087 648546495 /nfs/dbraw/zinc/54/64/95/648546495.db2.gz FMCGWKMKPPGZLW-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCc2cccc(Br)c2)CC[N@@H+]1C ZINC000422481803 648550220 /nfs/dbraw/zinc/55/02/20/648550220.db2.gz XPCKELKQUNFJBA-XJKSGUPXSA-N 1 0 396.329 2.049 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422487321 648550839 /nfs/dbraw/zinc/55/08/39/648550839.db2.gz JXGQSXCHNDLFGI-CQSZACIVSA-N 1 0 396.329 2.256 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2cc(C)ccc2Br)C1 ZINC000422514087 648554597 /nfs/dbraw/zinc/55/45/97/648554597.db2.gz GYFUASGMCPZRPC-OAHLLOKOSA-N 1 0 396.329 2.316 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000422519553 648555950 /nfs/dbraw/zinc/55/59/50/648555950.db2.gz PUKGSRRUNHAKRO-UHFFFAOYSA-N 1 0 396.329 2.316 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(Br)c1 ZINC000422552786 648558791 /nfs/dbraw/zinc/55/87/91/648558791.db2.gz IHFPOPVFGAMJSR-UTUOFQBUSA-N 1 0 391.331 2.452 20 0 GEADRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000422933508 648577699 /nfs/dbraw/zinc/57/76/99/648577699.db2.gz HXBXCDSHBDALOW-GZMMTYOYSA-N 1 0 375.782 2.406 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422968005 648579304 /nfs/dbraw/zinc/57/93/04/648579304.db2.gz QGRZAOKPDGUXGW-UHFFFAOYSA-N 1 0 394.313 2.037 20 0 GEADRO CCSc1nnc(NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)s1 ZINC000517899224 648580794 /nfs/dbraw/zinc/58/07/94/648580794.db2.gz PQIMTIZQWGSXKJ-UHFFFAOYSA-N 1 0 380.499 2.408 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423110259 648581470 /nfs/dbraw/zinc/58/14/70/648581470.db2.gz VJGWDQBJXAJPQP-DZGCQCFKSA-N 1 0 396.329 2.382 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000423115301 648581858 /nfs/dbraw/zinc/58/18/58/648581858.db2.gz XRWPFIRSINABQH-NOLJZWGESA-N 1 0 394.313 2.308 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423114804 648582185 /nfs/dbraw/zinc/58/21/85/648582185.db2.gz ZUBGXBQWIPVQKC-ZFWWWQNUSA-N 1 0 396.329 2.382 20 0 GEADRO CC(C)[C@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000423128422 648583356 /nfs/dbraw/zinc/58/33/56/648583356.db2.gz QKKXLDQDRQDQNL-DOMZBBRYSA-N 1 0 384.318 2.305 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000423138235 648584065 /nfs/dbraw/zinc/58/40/65/648584065.db2.gz SNEKEUJUEFWJQF-GHMZBOCLSA-N 1 0 388.331 2.055 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000423166492 648586060 /nfs/dbraw/zinc/58/60/60/648586060.db2.gz CVHSEWABRZAWQA-GJZGRUSLSA-N 1 0 380.286 2.062 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)C1 ZINC000423236586 648588364 /nfs/dbraw/zinc/58/83/64/648588364.db2.gz OKAMNJFFCJKZEX-LBPRGKRZSA-N 1 0 384.307 2.336 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000423368299 648590026 /nfs/dbraw/zinc/59/00/26/648590026.db2.gz RUZJNQMZNUMUFP-XJKSGUPXSA-N 1 0 381.929 2.024 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000423369695 648590069 /nfs/dbraw/zinc/59/00/69/648590069.db2.gz SYRMENNODDORPV-DUVNUKRYSA-N 1 0 381.929 2.152 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000423468618 648591498 /nfs/dbraw/zinc/59/14/98/648591498.db2.gz ORAANTHXCAYIKW-NEPJUHHUSA-N 1 0 388.295 2.026 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)C1 ZINC000423467286 648591607 /nfs/dbraw/zinc/59/16/07/648591607.db2.gz DMEFIWYYSHJOGA-OLZOCXBDSA-N 1 0 394.313 2.105 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC000423501155 648593132 /nfs/dbraw/zinc/59/31/32/648593132.db2.gz AYVVMXWIPNXQQW-HUUCEWRRSA-N 1 0 398.276 2.072 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC000423501135 648593196 /nfs/dbraw/zinc/59/31/96/648593196.db2.gz AYOKAEVDKASADT-IAQYHMDHSA-N 1 0 398.276 2.059 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000423501138 648593226 /nfs/dbraw/zinc/59/32/26/648593226.db2.gz AYOKAEVDKASADT-NHYWBVRUSA-N 1 0 398.276 2.059 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CNCCN1C ZINC000423511846 648593532 /nfs/dbraw/zinc/59/35/32/648593532.db2.gz KIPKJOLDOKCGEQ-CJNGLKHVSA-N 1 0 387.309 2.106 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000423517484 648594151 /nfs/dbraw/zinc/59/41/51/648594151.db2.gz HPMYQUNGEDKDNR-BBRMVZONSA-N 1 0 394.313 2.228 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2ccccc2Br)CC(C)C)C1 ZINC000423522180 648594161 /nfs/dbraw/zinc/59/41/61/648594161.db2.gz UCZWVJWSYMEQIC-HNNXBMFYSA-N 1 0 396.329 2.254 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)C1 ZINC000423529493 648594611 /nfs/dbraw/zinc/59/46/11/648594611.db2.gz VTQBFFJAZWDYGX-IUODEOHRSA-N 1 0 398.276 2.072 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N(C)[C@H](C)c2ccccc2Br)CC1 ZINC000423550784 648594732 /nfs/dbraw/zinc/59/47/32/648594732.db2.gz AYOJPPGWXCJMQI-GFCCVEGCSA-N 1 0 382.302 2.179 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000423528183 648594786 /nfs/dbraw/zinc/59/47/86/648594786.db2.gz NIDUQXQQUFDQTP-UHFFFAOYSA-N 1 0 396.329 2.223 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)C1 ZINC000423556134 648595092 /nfs/dbraw/zinc/59/50/92/648595092.db2.gz MMISBTKPDUTCGM-OAHLLOKOSA-N 1 0 384.307 2.334 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423560045 648595540 /nfs/dbraw/zinc/59/55/40/648595540.db2.gz KRSYLUGXFCDSBR-MCIONIFRSA-N 1 0 394.313 2.036 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423560047 648595574 /nfs/dbraw/zinc/59/55/74/648595574.db2.gz KRSYLUGXFCDSBR-RDBSUJKOSA-N 1 0 394.313 2.036 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000423569148 648595978 /nfs/dbraw/zinc/59/59/78/648595978.db2.gz MHVUSLNDIVFNTB-MNOVXSKESA-N 1 0 386.315 2.124 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423585346 648596712 /nfs/dbraw/zinc/59/67/12/648596712.db2.gz BAXUSYFBLYXVCK-XYPWUTKMSA-N 1 0 394.313 2.149 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423599154 648596911 /nfs/dbraw/zinc/59/69/11/648596911.db2.gz XNQIBUQWSZVCBZ-XYPWUTKMSA-N 1 0 394.313 2.149 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000423624663 648597658 /nfs/dbraw/zinc/59/76/58/648597658.db2.gz QBWJVADDAZCHEH-GOEBONIOSA-N 1 0 381.929 2.373 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000423657987 648598552 /nfs/dbraw/zinc/59/85/52/648598552.db2.gz CQECKXCIFDBGNW-HZMBPMFUSA-N 1 0 390.285 2.469 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000423681079 648599477 /nfs/dbraw/zinc/59/94/77/648599477.db2.gz MWWIUPZLBKZWBQ-DOMZBBRYSA-N 1 0 382.302 2.136 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423726877 648600920 /nfs/dbraw/zinc/60/09/20/648600920.db2.gz URWZTHIQUPMJNF-INIZCTEOSA-N 1 0 396.329 2.051 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)[C@@H]1C[NH3+] ZINC000423726080 648600984 /nfs/dbraw/zinc/60/09/84/648600984.db2.gz IBAWENXBTHLCTF-XJKSGUPXSA-N 1 0 396.329 2.036 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)[C@@H]1C[NH3+] ZINC000423743039 648601332 /nfs/dbraw/zinc/60/13/32/648601332.db2.gz UZNPVMSAEFYGAP-CMPLNLGQSA-N 1 0 388.331 2.055 20 0 GEADRO COC[C@@]1(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]C1 ZINC000423811856 648602032 /nfs/dbraw/zinc/60/20/32/648602032.db2.gz QCWHVCQUFBMRJP-MRXNPFEDSA-N 1 0 379.258 2.199 20 0 GEADRO [NH3+]CCCn1cc(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)nn1 ZINC000423833692 648602426 /nfs/dbraw/zinc/60/24/26/648602426.db2.gz ZYMORZUYQHHTLG-UHFFFAOYSA-N 1 0 376.873 2.334 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C1CCCC1 ZINC000423938019 648603544 /nfs/dbraw/zinc/60/35/44/648603544.db2.gz IGJORRRISHHAEO-UKRRQHHQSA-N 1 0 394.313 2.436 20 0 GEADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CCCC1 ZINC000423938618 648603603 /nfs/dbraw/zinc/60/36/03/648603603.db2.gz JQFXUSLVMBJEQB-HOTGVXAUSA-N 1 0 394.313 2.436 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)COc1ccc(I)cc1 ZINC000423946415 648604067 /nfs/dbraw/zinc/60/40/67/648604067.db2.gz IFUHVCCCEOPFTK-GFCCVEGCSA-N 1 0 376.238 2.160 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423946784 648604747 /nfs/dbraw/zinc/60/47/47/648604747.db2.gz VPJGMYXVEDKFDP-KOLCDFICSA-N 1 0 388.331 2.263 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423960079 648605649 /nfs/dbraw/zinc/60/56/49/648605649.db2.gz RXGFBGGHIZVIDH-SCZZXKLOSA-N 1 0 376.320 2.119 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000423984781 648606714 /nfs/dbraw/zinc/60/67/14/648606714.db2.gz CDWCQUVPYZXCSU-OAHLLOKOSA-N 1 0 395.253 2.339 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@]1(C)C[NH3+] ZINC000423980713 648606916 /nfs/dbraw/zinc/60/69/16/648606916.db2.gz FKXBAENCSUPMMT-CDHAZOANSA-N 1 0 394.313 2.245 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C[C@H]1C[NH3+] ZINC000423998779 648607976 /nfs/dbraw/zinc/60/79/76/648607976.db2.gz AUBFJOCEHDZNHT-HZSPNIEDSA-N 1 0 394.313 2.245 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1C[NH3+] ZINC000424003553 648608593 /nfs/dbraw/zinc/60/85/93/648608593.db2.gz DQLMFIBZJOTOEX-DVOMOZLQSA-N 1 0 394.313 2.245 20 0 GEADRO C[C@@H]1CCN(C(=O)COc2cccc(I)c2)C[C@H]1C[NH3+] ZINC000424006321 648609091 /nfs/dbraw/zinc/60/90/91/648609091.db2.gz UKBMVCVEORYTQA-VXGBXAGGSA-N 1 0 388.249 2.113 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000424004796 648609108 /nfs/dbraw/zinc/60/91/08/648609108.db2.gz RALABIBFHIKNBP-HNNXBMFYSA-N 1 0 392.301 2.214 20 0 GEADRO CS(=O)(=O)CCCC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000424167942 648615230 /nfs/dbraw/zinc/61/52/30/648615230.db2.gz DUVFEYFJKOIICQ-UHFFFAOYSA-N 1 0 377.297 2.489 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)CCCc2ccccc2)s1 ZINC000424195675 648616137 /nfs/dbraw/zinc/61/61/37/648616137.db2.gz ZJOGZELWRLWUCQ-UHFFFAOYSA-N 1 0 380.535 2.380 20 0 GEADRO Cc1cc(C)c(Br)c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424224914 648620362 /nfs/dbraw/zinc/62/03/62/648620362.db2.gz LBNKUXBQXXRVIK-LSDHHAIUSA-N 1 0 377.286 2.366 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)C(C)(C)c3cccc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000424229960 648621188 /nfs/dbraw/zinc/62/11/88/648621188.db2.gz YUIHKMQRBUBXNX-JKSUJKDBSA-N 1 0 391.313 2.414 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)CCc3ccccc3Br)C[C@H]2[NH3+])cn1 ZINC000424226548 648621240 /nfs/dbraw/zinc/62/12/40/648621240.db2.gz OUQVMCUBKUTTBP-GOEBONIOSA-N 1 0 377.286 2.069 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000424336167 648623123 /nfs/dbraw/zinc/62/31/23/648623123.db2.gz YNJZJLJXOBCJHX-NXEZZACHSA-N 1 0 394.324 2.160 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424364890 648623769 /nfs/dbraw/zinc/62/37/69/648623769.db2.gz UDKYBABPEYVIQF-VXGBXAGGSA-N 1 0 377.304 2.314 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424472086 648629956 /nfs/dbraw/zinc/62/99/56/648629956.db2.gz UEZQTPSNDSGOQW-QMMMGPOBSA-N 1 0 381.645 2.433 20 0 GEADRO C[C@H]1CC2(CN1C(=O)C(=O)NCc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424527430 648632873 /nfs/dbraw/zinc/63/28/73/648632873.db2.gz SYLHWXZSSDLHLK-ZDUSSCGKSA-N 1 0 394.313 2.056 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000424540260 648633658 /nfs/dbraw/zinc/63/36/58/648633658.db2.gz KEPLQIYVGKCYSP-UHFFFAOYSA-N 1 0 384.318 2.133 20 0 GEADRO COc1ncc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000424559416 648634942 /nfs/dbraw/zinc/63/49/42/648634942.db2.gz KDIVZCHATGQXDR-VXGBXAGGSA-N 1 0 386.290 2.082 20 0 GEADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(Br)cc2O)CC1 ZINC000424990522 648659680 /nfs/dbraw/zinc/65/96/80/648659680.db2.gz LKVPWRXCCKLTAE-UHFFFAOYSA-N 1 0 385.302 2.266 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCCCS(C)(=O)=O)c(Br)c1 ZINC000425354560 648673850 /nfs/dbraw/zinc/67/38/50/648673850.db2.gz NCJNJHKOBLVIGZ-UHFFFAOYSA-N 1 0 378.288 2.150 20 0 GEADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000425436692 648677676 /nfs/dbraw/zinc/67/76/76/648677676.db2.gz XAYARWJIIMUCCD-IAGOWNOFSA-N 1 0 384.567 2.360 20 0 GEADRO COCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000425512022 648682670 /nfs/dbraw/zinc/68/26/70/648682670.db2.gz XUEIFAUCHUTLAO-UHFFFAOYSA-N 1 0 384.318 2.430 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](CCC(=O)N(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425522528 648684600 /nfs/dbraw/zinc/68/46/00/648684600.db2.gz WQMUIKOYEBLHQE-LSDHHAIUSA-N 1 0 383.286 2.116 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCCCS(C)(=O)=O)[C@@H]1c1cccs1 ZINC000425568954 648685670 /nfs/dbraw/zinc/68/56/70/648685670.db2.gz JTTVWGDISJHLKC-GOEBONIOSA-N 1 0 387.571 2.255 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncnc2ccc(Br)cc21 ZINC000523656929 648685980 /nfs/dbraw/zinc/68/59/80/648685980.db2.gz UKACYGVBMGUZPN-AWEZNQCLSA-N 1 0 378.274 2.144 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000425748260 648693557 /nfs/dbraw/zinc/69/35/57/648693557.db2.gz VBAPZCUMYJVAGU-GFCCVEGCSA-N 1 0 375.803 2.336 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000425818297 648698863 /nfs/dbraw/zinc/69/88/63/648698863.db2.gz JAWAPAPRHOGDOZ-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3c(F)cccc3Br)[C@@H]2C1 ZINC000425820942 648699478 /nfs/dbraw/zinc/69/94/78/648699478.db2.gz PPGSSKPBBKSXNG-GXFFZTMASA-N 1 0 384.249 2.079 20 0 GEADRO CC[N@H+](CCNC(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F)CCC(F)(F)F ZINC000425990026 648703030 /nfs/dbraw/zinc/70/30/30/648703030.db2.gz VRNLMLVDLALWJI-MNOVXSKESA-N 1 0 379.345 2.358 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000426227743 648709239 /nfs/dbraw/zinc/70/92/39/648709239.db2.gz QULRBXYQWKUXDP-LLVKDONJSA-N 1 0 394.269 2.153 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000426859557 648716504 /nfs/dbraw/zinc/71/65/04/648716504.db2.gz QTSXEICOMZETAF-DOMZBBRYSA-N 1 0 388.331 2.208 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)COc1ccc(I)cc1 ZINC000427717491 648726163 /nfs/dbraw/zinc/72/61/63/648726163.db2.gz BUEJUARQMFNQNJ-ZDUSSCGKSA-N 1 0 388.249 2.223 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000428457544 648734281 /nfs/dbraw/zinc/73/42/81/648734281.db2.gz JXASNQYXRUOTPC-UKRRQHHQSA-N 1 0 377.286 2.263 20 0 GEADRO NC(=O)c1cccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428553708 648736280 /nfs/dbraw/zinc/73/62/80/648736280.db2.gz YNYGAKIIFOHQNV-OAHLLOKOSA-N 1 0 377.282 2.489 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000428566170 648737771 /nfs/dbraw/zinc/73/77/71/648737771.db2.gz NNORTRQCNVVLQZ-LBPRGKRZSA-N 1 0 375.922 2.273 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000428594018 648740195 /nfs/dbraw/zinc/74/01/95/648740195.db2.gz CCTHAPQRTNHFKU-DOMZBBRYSA-N 1 0 385.302 2.482 20 0 GEADRO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428597873 648740664 /nfs/dbraw/zinc/74/06/64/648740664.db2.gz RPNNHQYTLSBXPH-LLVKDONJSA-N 1 0 388.270 2.417 20 0 GEADRO O=C(CCC(=O)c1ccc(I)cc1)NC[C@H]1CCC[NH2+]1 ZINC000429077819 648743795 /nfs/dbraw/zinc/74/37/95/648743795.db2.gz LREGCUOYLOZTRC-CYBMUJFWSA-N 1 0 386.233 2.122 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429161219 648747031 /nfs/dbraw/zinc/74/70/31/648747031.db2.gz JAEATBZWRKXAIB-WQVCFCJDSA-N 1 0 383.945 2.387 20 0 GEADRO CCC[N@H+](CCCOc1cccc(I)c1)CC(N)=O ZINC000429170230 648748000 /nfs/dbraw/zinc/74/80/00/648748000.db2.gz WPZHYURUGUOQQF-UHFFFAOYSA-N 1 0 376.238 2.257 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000429171382 648748022 /nfs/dbraw/zinc/74/80/22/648748022.db2.gz NLAQQXJPKNHHED-ZIAGYGMSSA-N 1 0 385.555 2.122 20 0 GEADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000429684112 648750438 /nfs/dbraw/zinc/75/04/38/648750438.db2.gz SKHAITLEEKMRLP-LSDHHAIUSA-N 1 0 386.279 2.301 20 0 GEADRO C[C@@H](CNC(=O)c1c(I)cnn1C)[N@@H+]1CCCC[C@@H]1C ZINC000429868063 648756297 /nfs/dbraw/zinc/75/62/97/648756297.db2.gz RXMACLPCOZRNIH-QWRGUYRKSA-N 1 0 390.269 2.017 20 0 GEADRO CC[NH2+]CC1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000430572340 648763980 /nfs/dbraw/zinc/76/39/80/648763980.db2.gz FVBKIZYQTRQZIK-UHFFFAOYSA-N 1 0 387.933 2.004 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000430709182 648765827 /nfs/dbraw/zinc/76/58/27/648765827.db2.gz MPIBZYFANQBJFV-AWEZNQCLSA-N 1 0 385.555 2.041 20 0 GEADRO CC(C)[N@H+](C)CCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430715888 648765997 /nfs/dbraw/zinc/76/59/97/648765997.db2.gz BNYKUILZUCODTA-NSHDSACASA-N 1 0 378.336 2.087 20 0 GEADRO C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000430854336 648768949 /nfs/dbraw/zinc/76/89/49/648768949.db2.gz LDLVUQWRYHVDOW-ZWNOBZJWSA-N 1 0 395.257 2.055 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430903708 648769968 /nfs/dbraw/zinc/76/99/68/648769968.db2.gz KRATUNPGSFKPIZ-QGZVFWFLSA-N 1 0 396.329 2.033 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430959622 648770855 /nfs/dbraw/zinc/77/08/55/648770855.db2.gz CQILKNBFNHVUHN-GYSYKLTISA-N 1 0 387.265 2.287 20 0 GEADRO C[NH2+]C1CCN([C@@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000430954933 648771122 /nfs/dbraw/zinc/77/11/22/648771122.db2.gz KOJFQWYHTCWQDS-NSHDSACASA-N 1 0 387.265 2.302 20 0 GEADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CCCO1 ZINC000432294895 648775733 /nfs/dbraw/zinc/77/57/33/648775733.db2.gz FKKLQWWGMLGFLA-CYBMUJFWSA-N 1 0 380.432 2.485 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)ccc1Br ZINC000435210731 648783424 /nfs/dbraw/zinc/78/34/24/648783424.db2.gz KFNGDQDWSOGKFI-NSHDSACASA-N 1 0 377.304 2.172 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000435799922 648788015 /nfs/dbraw/zinc/78/80/15/648788015.db2.gz RKUUNDPUQZSOFJ-ZDUSSCGKSA-N 1 0 386.480 2.323 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(I)ccc1O ZINC000436773658 648793379 /nfs/dbraw/zinc/79/33/79/648793379.db2.gz PWYJXXFJQIHDCP-ZANVPECISA-N 1 0 386.233 2.209 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000439137747 648809578 /nfs/dbraw/zinc/80/95/78/648809578.db2.gz SWIGZJHEOKXGRR-ZDUSSCGKSA-N 1 0 387.933 2.237 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000440757011 648812406 /nfs/dbraw/zinc/81/24/06/648812406.db2.gz RZABGKVZUMQOPV-IPYPFGDCSA-N 1 0 388.917 2.113 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000440809535 648814556 /nfs/dbraw/zinc/81/45/56/648814556.db2.gz NHEXLXYGDHCXRZ-VIFPVBQESA-N 1 0 383.258 2.477 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000440836308 648815491 /nfs/dbraw/zinc/81/54/91/648815491.db2.gz VYMNIFGHAOWZKL-STQMWFEESA-N 1 0 376.906 2.113 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)[C@H](C[NH3+])C1 ZINC000440838615 648815862 /nfs/dbraw/zinc/81/58/62/648815862.db2.gz TXKOMOVAFAKUIB-WDEREUQCSA-N 1 0 395.294 2.023 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000440838850 648816023 /nfs/dbraw/zinc/81/60/23/648816023.db2.gz WPJJYQULTWIJTF-MRXNPFEDSA-N 1 0 385.917 2.451 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000441027186 648818301 /nfs/dbraw/zinc/81/83/01/648818301.db2.gz GZAKZVOTTPYTIM-BXUZGUMPSA-N 1 0 398.301 2.195 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000441027187 648818854 /nfs/dbraw/zinc/81/88/54/648818854.db2.gz GZAKZVOTTPYTIM-FZMZJTMJSA-N 1 0 398.301 2.195 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(F)cc1F ZINC000441328540 648825259 /nfs/dbraw/zinc/82/52/59/648825259.db2.gz AUUBURQTTBXJPK-UHFFFAOYSA-N 1 0 380.338 2.450 20 0 GEADRO CC(C)Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cn1 ZINC000441357050 648826019 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GEADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCC[N@@H+]1C ZINC000443700613 648884635 /nfs/dbraw/zinc/88/46/35/648884635.db2.gz TYPAWOXTPLJZOE-LDYMZIIASA-N 1 0 390.228 2.265 20 0 GEADRO CC1(C)CCC[N@H+](CCNc2ncc(Br)cc2S(N)(=O)=O)C1 ZINC000443946979 648892307 /nfs/dbraw/zinc/89/23/07/648892307.db2.gz NFFVUCIUUOFKDH-UHFFFAOYSA-N 1 0 391.335 2.025 20 0 GEADRO COc1ccc(Br)c(C[N@H+](C)C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000548931850 651089583 /nfs/dbraw/zinc/08/95/83/651089583.db2.gz DTHYICFBFKHKQF-LBPRGKRZSA-N 1 0 391.331 2.171 20 0 GEADRO Cc1nccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1Br ZINC000549281647 651094393 /nfs/dbraw/zinc/09/43/93/651094393.db2.gz MCGPWPRXYHXTDY-CQSZACIVSA-N 1 0 397.317 2.151 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000549727324 651099361 /nfs/dbraw/zinc/09/93/61/651099361.db2.gz BJQVEMNFIJDBCS-OAHLLOKOSA-N 1 0 394.313 2.355 20 0 GEADRO OC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000550128243 651105180 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CC(C)Oc1cc(Br)ccc1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552026950 651138602 /nfs/dbraw/zinc/13/86/02/651138602.db2.gz NCGOGDCOFAJDMH-GOSISDBHSA-N 1 0 397.313 2.423 20 0 GEADRO Cc1[nH+]c2ccc(Br)cc2c(NC[C@H]2CS(=O)(=O)CCO2)c1C ZINC000552039964 651138887 /nfs/dbraw/zinc/13/88/87/651138887.db2.gz XUKQATDWKZHTIF-ZDUSSCGKSA-N 1 0 399.310 2.262 20 0 GEADRO CC[C@@H](COC)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000552089888 651139765 /nfs/dbraw/zinc/13/97/65/651139765.db2.gz YCWANSRGDFRXGW-LBPRGKRZSA-N 1 0 379.320 2.050 20 0 GEADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1sccc1Cl ZINC000552115986 651140732 /nfs/dbraw/zinc/14/07/32/651140732.db2.gz YACOGLGLMZQWDV-HNNXBMFYSA-N 1 0 379.913 2.420 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000552195500 651143100 /nfs/dbraw/zinc/14/31/00/651143100.db2.gz OTMDLTCBQRYPOM-ZBEGNZNMSA-N 1 0 384.307 2.251 20 0 GEADRO O=C(CCc1cc(F)ccc1Br)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552207986 651143810 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O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]Cc1ccc(Br)s1 ZINC000553199727 651167934 /nfs/dbraw/zinc/16/79/34/651167934.db2.gz PCGRENXUOCBAIQ-JTQLQIEISA-N 1 0 395.278 2.257 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000553229666 651168536 /nfs/dbraw/zinc/16/85/36/651168536.db2.gz IAJZSBVGDDKDGG-JTQLQIEISA-N 1 0 391.331 2.089 20 0 GEADRO C[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)Oc1cccc(Br)c1 ZINC000553514871 651178407 /nfs/dbraw/zinc/17/84/07/651178407.db2.gz DBXFYTMFZHIMPF-BLQFLSLASA-N 1 0 396.285 2.327 20 0 GEADRO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1F ZINC000554089026 651197607 /nfs/dbraw/zinc/19/76/07/651197607.db2.gz VADJDIRMFLBKPI-TZMCWYRMSA-N 1 0 375.535 2.469 20 0 GEADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000554098862 651197902 /nfs/dbraw/zinc/19/79/02/651197902.db2.gz GTAYPXQOUSGEFG-UHFFFAOYSA-N 1 0 387.571 2.051 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(OC(F)F)cc1 ZINC000554375769 651203393 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CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000556251112 651239021 /nfs/dbraw/zinc/23/90/21/651239021.db2.gz SMZCOTFQWZWEPI-JTQLQIEISA-N 1 0 380.436 2.423 20 0 GEADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000556562442 651246859 /nfs/dbraw/zinc/24/68/59/651246859.db2.gz PFFOGYSJMISGNI-SECBINFHSA-N 1 0 376.404 2.234 20 0 GEADRO Cc1cc(Br)cn2c(CN3CC[N@@H+](C[C@H](C)O)C[C@H]3C)cnc12 ZINC000556615956 651248156 /nfs/dbraw/zinc/24/81/56/651248156.db2.gz FOPHEOAEAUEIEC-KGLIPLIRSA-N 1 0 381.318 2.292 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](O)C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556639962 651248708 /nfs/dbraw/zinc/24/87/08/651248708.db2.gz NRRVZEIZZPTUNJ-SWHYSGLUSA-N 1 0 379.810 2.397 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cnn(C)c1 ZINC000556910529 651257009 /nfs/dbraw/zinc/25/70/09/651257009.db2.gz AJNUHEMRYGSYKK-JTQLQIEISA-N 1 0 377.297 2.356 20 0 GEADRO CN(CCC[NH3+])C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000557025824 651260618 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O=C(NCc1ccc(Br)cc1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000559599352 651298256 /nfs/dbraw/zinc/29/82/56/651298256.db2.gz IVAFWTKGGBLSSG-UHFFFAOYSA-N 1 0 394.313 2.152 20 0 GEADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000559813676 651301772 /nfs/dbraw/zinc/30/17/72/651301772.db2.gz FSERFRYODMBEJX-INIZCTEOSA-N 1 0 387.571 2.056 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000559987139 651302667 /nfs/dbraw/zinc/30/26/67/651302667.db2.gz KVKJFXUGJUJICN-UHFFFAOYSA-N 1 0 390.347 2.173 20 0 GEADRO Cc1sc2nc(C)nc(SCC(=O)NC[C@@H]3C[NH2+]CCCO3)c2c1C ZINC000560158571 651304394 /nfs/dbraw/zinc/30/43/94/651304394.db2.gz SCKBYIHTMBMXCI-ZDUSSCGKSA-N 1 0 380.539 2.203 20 0 GEADRO COC(=O)c1cn(CC[NH2+][C@@H](C)Cc2ccc(Br)cc2F)nn1 ZINC000560266438 651305825 /nfs/dbraw/zinc/30/58/25/651305825.db2.gz YCQVQAVSEREPMW-JTQLQIEISA-N 1 0 385.237 2.187 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000560269930 651305949 /nfs/dbraw/zinc/30/59/49/651305949.db2.gz XXNIMUNOQCUROC-ZDUSSCGKSA-N 1 0 394.356 2.491 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000560414097 651308905 /nfs/dbraw/zinc/30/89/05/651308905.db2.gz HMIMHHSNQIDUTJ-KRWDZBQOSA-N 1 0 386.945 2.006 20 0 GEADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1ncc[nH]1 ZINC000560573460 651311779 /nfs/dbraw/zinc/31/17/79/651311779.db2.gz JZECXCVJGQITJP-NSHDSACASA-N 1 0 387.303 2.191 20 0 GEADRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CCn1cc(Br)cn1 ZINC000560581845 651311960 /nfs/dbraw/zinc/31/19/60/651311960.db2.gz XSKUUHNVGODIKE-CQSZACIVSA-N 1 0 379.302 2.373 20 0 GEADRO C[NH+]1CCN(Cc2ccc(C(=O)NCCSCC(F)(F)F)cc2)CC1 ZINC000560652359 651313366 /nfs/dbraw/zinc/31/33/66/651313366.db2.gz LXIVCFDJNSLGGL-UHFFFAOYSA-N 1 0 375.460 2.459 20 0 GEADRO C[NH2+][C@H](C)c1cn(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)nn1 ZINC000603199216 651471696 /nfs/dbraw/zinc/47/16/96/651471696.db2.gz WMCDGNMARZMZOF-MRVPVSSYSA-N 1 0 386.239 2.291 20 0 GEADRO O=S(=O)(C[C@@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1)c1cccs1 ZINC000560910899 651472090 /nfs/dbraw/zinc/47/20/90/651472090.db2.gz PYWFGSCPWPVLFL-KRWDZBQOSA-N 1 0 386.583 2.269 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000560907151 651472146 /nfs/dbraw/zinc/47/21/46/651472146.db2.gz COMYDZYERVMZBY-LLVKDONJSA-N 1 0 384.299 2.154 20 0 GEADRO [NH3+]CCSCc1cn(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)nn1 ZINC000603239739 651473287 /nfs/dbraw/zinc/47/32/87/651473287.db2.gz YJOAXBBWNMQZRZ-UHFFFAOYSA-N 1 0 384.296 2.406 20 0 GEADRO COC(=O)c1ccc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c(Br)c1 ZINC000603240680 651473347 /nfs/dbraw/zinc/47/33/47/651473347.db2.gz BPOORVJEUUKPPA-LBPRGKRZSA-N 1 0 379.258 2.343 20 0 GEADRO COC(=O)c1ccc(Cn2cc(CSCC[NH3+])nn2)c(Br)c1 ZINC000603241736 651473593 /nfs/dbraw/zinc/47/35/93/651473593.db2.gz NDIFYCRFMCQXHS-UHFFFAOYSA-N 1 0 385.287 2.067 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642712844 651473927 /nfs/dbraw/zinc/47/39/27/651473927.db2.gz UDTLKFOATFYZLH-UHFFFAOYSA-N 1 0 382.302 2.022 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642711610 651473935 /nfs/dbraw/zinc/47/39/35/651473935.db2.gz HDMOTHMVDFSFOC-BFQNTYOBSA-N 1 0 384.307 2.251 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2sccc2Br)CC[C@H]1C(F)(F)F ZINC000717082400 651474827 /nfs/dbraw/zinc/47/48/27/651474827.db2.gz MEJPVNNYQTZDJL-HTRCEHHLSA-N 1 0 393.250 2.411 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000642906430 651475326 /nfs/dbraw/zinc/47/53/26/651475326.db2.gz JXYXTJNOEZRBAX-HOTGVXAUSA-N 1 0 394.313 2.371 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)s2)cs1 ZINC000642912429 651475330 /nfs/dbraw/zinc/47/53/30/651475330.db2.gz ITBOYJZLEDASAD-VXGBXAGGSA-N 1 0 378.523 2.182 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)[C@@H](C)C1 ZINC000561148843 651475497 /nfs/dbraw/zinc/47/54/97/651475497.db2.gz RHBCPVCSUFXCPW-SMDDNHRTSA-N 1 0 380.286 2.428 20 0 GEADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C2OCCO2)C1)c1ccc(Br)cc1 ZINC000719058260 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C[C@@H](NC(=O)C(=O)N1CCc2c1cccc2Br)C1CC[NH+](C)CC1 ZINC000643274226 651482433 /nfs/dbraw/zinc/48/24/33/651482433.db2.gz ZJUDIJWIMABCNK-GFCCVEGCSA-N 1 0 394.313 2.185 20 0 GEADRO C[C@@H]1CCN(C)CCN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000603353451 651483557 /nfs/dbraw/zinc/48/35/57/651483557.db2.gz CXVNFQGDAMBOHZ-CQSZACIVSA-N 1 0 385.555 2.089 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000643407971 651485905 /nfs/dbraw/zinc/48/59/05/651485905.db2.gz JUOGLNLBIBTZGD-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(SC(F)(F)F)cc1 ZINC000726187351 651487729 /nfs/dbraw/zinc/48/77/29/651487729.db2.gz RPFOAINASJLQCG-VXGBXAGGSA-N 1 0 396.456 2.440 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)CCO1 ZINC000643486308 651488525 /nfs/dbraw/zinc/48/85/25/651488525.db2.gz RGDNCYNMYGLHDM-PGUXBMHVSA-N 1 0 388.295 2.087 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)C[C@H]1[NH3+] ZINC000643479183 651488574 /nfs/dbraw/zinc/48/85/74/651488574.db2.gz GUNYOWHNMMAATR-AXAPSJFSSA-N 1 0 375.519 2.089 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643487721 651489033 /nfs/dbraw/zinc/48/90/33/651489033.db2.gz VKMCXLYWISBTME-HOCLYGCPSA-N 1 0 394.313 2.008 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000643508976 651489568 /nfs/dbraw/zinc/48/95/68/651489568.db2.gz YDOCMQBMPQFLMR-ZBFHGGJFSA-N 1 0 396.329 2.036 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643550022 651489952 /nfs/dbraw/zinc/48/99/52/651489952.db2.gz UWUWWZILWQWTLT-UHFFFAOYSA-N 1 0 386.677 2.396 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643549931 651489999 /nfs/dbraw/zinc/48/99/99/651489999.db2.gz YELIVCWJSOPHGB-UHFFFAOYSA-N 1 0 386.677 2.396 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ncc(I)s1 ZINC000603433470 651491332 /nfs/dbraw/zinc/49/13/32/651491332.db2.gz YENQSHGVAIXRPV-UHFFFAOYSA-N 1 0 379.267 2.304 20 0 GEADRO C[C@H](N[C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000603433358 651491370 /nfs/dbraw/zinc/49/13/70/651491370.db2.gz MNJDWLSGWXXSPB-BIMULSAOSA-N 1 0 387.265 2.334 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000562750446 651501528 /nfs/dbraw/zinc/50/15/28/651501528.db2.gz RTBZCCQXYRDMLG-UHFFFAOYSA-N 1 0 375.803 2.038 20 0 GEADRO O=c1cc(C[NH+]2CCC(C3OCCO3)CC2)nc2ccc(Br)cn12 ZINC000726789851 651503160 /nfs/dbraw/zinc/50/31/60/651503160.db2.gz FLLCRFUPBRXUSN-UHFFFAOYSA-N 1 0 394.269 2.042 20 0 GEADRO C[C@@]1(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000562976027 651504664 /nfs/dbraw/zinc/50/46/64/651504664.db2.gz MYSNLURTUJPZEV-MAUKXSAKSA-N 1 0 381.929 2.361 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2cc(C)ccc2I)[C@H](C[NH3+])C1 ZINC000562976857 651504754 /nfs/dbraw/zinc/50/47/54/651504754.db2.gz VXLDUMDESPPFDH-NWDGAFQWSA-N 1 0 388.249 2.178 20 0 GEADRO COC[C@@]1(CNC(=O)c2ccn(-c3cccc(Br)c3)n2)CCC[NH2+]1 ZINC000562979329 651505105 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GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[NH2+]C1CC1 ZINC000644083390 651520171 /nfs/dbraw/zinc/52/01/71/651520171.db2.gz RUKTYIRJSVLYDX-HNNXBMFYSA-N 1 0 382.302 2.072 20 0 GEADRO COC[C@@]1(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCC[NH2+]1 ZINC000644126235 651522553 /nfs/dbraw/zinc/52/25/53/651522553.db2.gz QTEZRNPIAXJMSF-KRWDZBQOSA-N 1 0 394.269 2.201 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000644168737 651523995 /nfs/dbraw/zinc/52/39/95/651523995.db2.gz IEFJOOYBEMDHKO-SWLSCSKDSA-N 1 0 388.281 2.405 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000644168736 651524234 /nfs/dbraw/zinc/52/42/34/651524234.db2.gz IEFJOOYBEMDHKO-IUODEOHRSA-N 1 0 388.281 2.405 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000563477725 651526326 /nfs/dbraw/zinc/52/63/26/651526326.db2.gz PJYHXFMEEQWYEK-SECBINFHSA-N 1 0 379.766 2.374 20 0 GEADRO C[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC[N@@H+](C2CCC2)C1 ZINC000644263208 651528547 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2.425 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(Cl)c3)C[C@@H]12 ZINC000569091212 651699957 /nfs/dbraw/zinc/69/99/57/651699957.db2.gz SOFUCJOWXZVURK-IYYTYJHQSA-N 1 0 386.677 2.237 20 0 GEADRO O=C(NCC[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000569228213 651703500 /nfs/dbraw/zinc/70/35/00/651703500.db2.gz AKARGEQJCSFOBZ-INIZCTEOSA-N 1 0 393.281 2.208 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646588440 651704260 /nfs/dbraw/zinc/70/42/60/651704260.db2.gz YHTPICMWYNKFRU-UHFFFAOYSA-N 1 0 381.889 2.253 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000569342746 651708284 /nfs/dbraw/zinc/70/82/84/651708284.db2.gz IPBOGBUDCIHOCB-QGZVFWFLSA-N 1 0 384.929 2.350 20 0 GEADRO [NH3+][C@@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000646697490 651713700 /nfs/dbraw/zinc/71/37/00/651713700.db2.gz OSQSTPFTQSVDGI-INIZCTEOSA-N 1 0 378.881 2.463 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000569459609 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GEADRO O=C(C[NH2+][C@@H](CO)C1CCOCC1)NCCc1cccc(Cl)c1Cl ZINC000569760409 651722368 /nfs/dbraw/zinc/72/23/68/651722368.db2.gz GTCSGUYUZVQLJJ-HNNXBMFYSA-N 1 0 375.296 2.029 20 0 GEADRO CN1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000646833268 651722684 /nfs/dbraw/zinc/72/26/84/651722684.db2.gz ZTCALUIZJXTNHE-HNNXBMFYSA-N 1 0 384.318 2.100 20 0 GEADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646845508 651723748 /nfs/dbraw/zinc/72/37/48/651723748.db2.gz KBUFSFYUPXQRPR-FRFSOERESA-N 1 0 399.329 2.219 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569808144 651726019 /nfs/dbraw/zinc/72/60/19/651726019.db2.gz LFTAFLQVDFESMA-OBJOEFQTSA-N 1 0 386.334 2.334 20 0 GEADRO CCOC(=O)[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccc(OC)c(Br)c1 ZINC000611508001 651727267 /nfs/dbraw/zinc/72/72/67/651727267.db2.gz KKYXELLDFYLEQL-IINYFYTJSA-N 1 0 387.274 2.128 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000646912478 651727803 /nfs/dbraw/zinc/72/78/03/651727803.db2.gz VPRXOPDIUDZIIQ-BPUTZDHNSA-N 1 0 379.913 2.018 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c(O)cnc4c(Br)cccc43)[C@@H]2C1 ZINC000646915688 651727822 /nfs/dbraw/zinc/72/78/22/651727822.db2.gz SNKWAADADWLPLW-ZWNOBZJWSA-N 1 0 376.254 2.479 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@]34CCC(=O)N3c3cc(Cl)ccc3S4)[C@@H]2C1 ZINC000646920424 651728501 /nfs/dbraw/zinc/72/85/01/651728501.db2.gz REPFCWHTXLFEPZ-UCMVZMLTSA-N 1 0 377.897 2.431 20 0 GEADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000569847658 651728655 /nfs/dbraw/zinc/72/86/55/651728655.db2.gz DJOFMYNDNGCOFE-VQISRLSMSA-N 1 0 382.302 2.352 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC000646967027 651731254 /nfs/dbraw/zinc/73/12/54/651731254.db2.gz PTRQIEGHTWBLQY-APHBMKBZSA-N 1 0 382.913 2.232 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000647064542 651733418 /nfs/dbraw/zinc/73/34/18/651733418.db2.gz TUVXUYWXUQUFRV-VXGBXAGGSA-N 1 0 391.331 2.103 20 0 GEADRO O=S1(=O)CC[C@]2(C1)CCCN(C[C@H](O)COCc1ccccc1Cl)C2 ZINC000569918465 651733394 /nfs/dbraw/zinc/73/33/94/651733394.db2.gz FJHAOKQAKJRFBN-FUHWJXTLSA-N 1 0 387.929 2.118 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000647080738 651733837 /nfs/dbraw/zinc/73/38/37/651733837.db2.gz HOQSUCOPHUOARU-LBPRGKRZSA-N 1 0 397.342 2.011 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)NC3CCC([NH3+])CC3)cc21 ZINC000647204366 651736010 /nfs/dbraw/zinc/73/60/10/651736010.db2.gz JBBCEJFAXBJCDP-UHFFFAOYSA-N 1 0 386.315 2.489 20 0 GEADRO COc1ncncc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000647216034 651736753 /nfs/dbraw/zinc/73/67/53/651736753.db2.gz RNAQEUCACOSJHP-GFCCVEGCSA-N 1 0 384.249 2.328 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000647209900 651736806 /nfs/dbraw/zinc/73/68/06/651736806.db2.gz UXBJVZVZSSYAMK-JTQLQIEISA-N 1 0 383.297 2.049 20 0 GEADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)C1 ZINC000647271926 651739041 /nfs/dbraw/zinc/73/90/41/651739041.db2.gz QNRZBKRORHLPQJ-PHIMTYICSA-N 1 0 388.312 2.341 20 0 GEADRO O=C(Nc1nnc(C(F)(F)F)s1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734261988 651740778 /nfs/dbraw/zinc/74/07/78/651740778.db2.gz AAGSESUWYWQWHR-SNVBAGLBSA-N 1 0 379.408 2.322 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@](C)(O)C(F)(F)F)s1 ZINC000570036518 651741137 /nfs/dbraw/zinc/74/11/37/651741137.db2.gz ARHZAGDQFBUNQH-ZDUSSCGKSA-N 1 0 388.477 2.224 20 0 GEADRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)[C@H]1C ZINC000647287055 651741795 /nfs/dbraw/zinc/74/17/95/651741795.db2.gz HYVZECGGQFAAAP-QWRGUYRKSA-N 1 0 386.315 2.312 20 0 GEADRO O=C(CSc1cccc(Br)c1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000570066639 651743906 /nfs/dbraw/zinc/74/39/06/651743906.db2.gz FGIWAHSBEYSOII-MRXNPFEDSA-N 1 0 385.327 2.114 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000570072528 651744472 /nfs/dbraw/zinc/74/44/72/651744472.db2.gz YNISYVZRBFMRHT-NSHDSACASA-N 1 0 393.289 2.115 20 0 GEADRO O=C(Cc1cc(Cl)ccc1Cl)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000734468238 651746371 /nfs/dbraw/zinc/74/63/71/651746371.db2.gz PCFHOBJVZHMPPL-MRXNPFEDSA-N 1 0 386.323 2.059 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2Br)[C@@H](C)C1 ZINC000734465010 651746493 /nfs/dbraw/zinc/74/64/93/651746493.db2.gz SYNHRHXVAGYPOU-AAEUAGOBSA-N 1 0 387.322 2.347 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000647494862 651748330 /nfs/dbraw/zinc/74/83/30/651748330.db2.gz WSYHPZUTEVIVKY-UWVGGRQHSA-N 1 0 379.258 2.178 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000647494521 651748383 /nfs/dbraw/zinc/74/83/83/651748383.db2.gz WMWZTSBFEHNOFT-RQJHMYQMSA-N 1 0 380.645 2.422 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000647494518 651748464 /nfs/dbraw/zinc/74/84/64/651748464.db2.gz WMWZTSBFEHNOFT-BQBZGAKWSA-N 1 0 380.645 2.422 20 0 GEADRO CN(CCN1CC[NH2+]CC1)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000647492629 651748527 /nfs/dbraw/zinc/74/85/27/651748527.db2.gz OMZCINXBFHFSNY-UHFFFAOYSA-N 1 0 378.318 2.176 20 0 GEADRO O[C@H](C[NH2+]CCCN1CCC(O)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000647517922 651749430 /nfs/dbraw/zinc/74/94/30/651749430.db2.gz UTDSXCZZIJQYEX-CQSZACIVSA-N 1 0 377.312 2.170 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000570294318 651758647 /nfs/dbraw/zinc/75/86/47/651758647.db2.gz UGIKKPMRPNHKHQ-CHWSQXEVSA-N 1 0 387.933 2.085 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000647818218 651760745 /nfs/dbraw/zinc/76/07/45/651760745.db2.gz DNUDBAZSRPULQY-NWDGAFQWSA-N 1 0 383.286 2.349 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000612552736 651761690 /nfs/dbraw/zinc/76/16/90/651761690.db2.gz WIBJQNSSAHPOAR-LBPRGKRZSA-N 1 0 388.331 2.070 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[NH2+]CC1(C)C)c1ccc(Br)cc1 ZINC000647840711 651762599 /nfs/dbraw/zinc/76/25/99/651762599.db2.gz YHBQVFOAXZXGQV-HNNXBMFYSA-N 1 0 382.302 2.227 20 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C[C@@H](C[C@H]1COCC[NH2+]1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000571789108 651854062 /nfs/dbraw/zinc/85/40/62/651854062.db2.gz LHUBTJYZXXWHIO-ONGXEEELSA-N 1 0 377.798 2.258 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1=O ZINC000650303868 651854587 /nfs/dbraw/zinc/85/45/87/651854587.db2.gz UXVQKRRYSXBPKH-UHFFFAOYSA-N 1 0 398.941 2.371 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000615268210 651858622 /nfs/dbraw/zinc/85/86/22/651858622.db2.gz USCCKEISKRCNEZ-GJZGRUSLSA-N 1 0 393.285 2.261 20 0 GEADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000571870141 651858949 /nfs/dbraw/zinc/85/89/49/651858949.db2.gz PEJBELJBTINZNN-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000571880583 651859276 /nfs/dbraw/zinc/85/92/76/651859276.db2.gz GPPBVQCFSBVKEJ-SGMGOOAPSA-N 1 0 376.906 2.302 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1nn(C(C)(C)C)cc1Br ZINC000615378361 651863510 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COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000572900498 651920216 /nfs/dbraw/zinc/92/02/16/651920216.db2.gz HDGBFEBWGARIBE-UHFFFAOYSA-N 1 0 395.294 2.346 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCSC[C@@H](C)C1)c1ccsc1 ZINC000572905012 651920568 /nfs/dbraw/zinc/92/05/68/651920568.db2.gz ZKZSZQCWIURFJQ-GOEBONIOSA-N 1 0 383.583 2.459 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000652642774 651921243 /nfs/dbraw/zinc/92/12/43/651921243.db2.gz JSRYTKJGAGUKIW-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000617021091 651921344 /nfs/dbraw/zinc/92/13/44/651921344.db2.gz QIRYOWUPTNINAE-AWEZNQCLSA-N 1 0 382.302 2.168 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000652642668 651921981 /nfs/dbraw/zinc/92/19/81/651921981.db2.gz FKZOWFWOWTWCGV-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO Cn1cc(Br)cc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617114019 651925744 /nfs/dbraw/zinc/92/57/44/651925744.db2.gz BDEHDUCELKSMPD-UHFFFAOYSA-N 1 0 384.318 2.408 20 0 GEADRO CN1CCN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000573074324 651932912 /nfs/dbraw/zinc/93/29/12/651932912.db2.gz RSEIKDHDNZIAOW-NSHDSACASA-N 1 0 395.718 2.310 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000653170208 651934357 /nfs/dbraw/zinc/93/43/57/651934357.db2.gz PLGMKKSHEAXCKH-UHFFFAOYSA-N 1 0 382.913 2.376 20 0 GEADRO COC[C@@]1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000573115294 651935527 /nfs/dbraw/zinc/93/55/27/651935527.db2.gz OTUXJVVVYLHTCC-RDTXWAMCSA-N 1 0 396.329 2.018 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCCC1(C[NH3+])CC1 ZINC000653222523 651936398 /nfs/dbraw/zinc/93/63/98/651936398.db2.gz DZLBQKMJXCEHKN-UHFFFAOYSA-N 1 0 389.315 2.020 20 0 GEADRO C[C@H]1CCCN(C(=O)CNC(=O)c2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000653232961 651936768 /nfs/dbraw/zinc/93/67/68/651936768.db2.gz NDYGFVVGLJTBEZ-SWLSCSKDSA-N 1 0 382.302 2.155 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C[C@H]1C[NH3+] ZINC000653246350 651937401 /nfs/dbraw/zinc/93/74/01/651937401.db2.gz JIEIPPXFKSNJBO-MLGOLLRUSA-N 1 0 393.285 2.071 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000653262929 651937975 /nfs/dbraw/zinc/93/79/75/651937975.db2.gz JOHIAIZDWQYWEW-BNOWGMLFSA-N 1 0 384.274 2.051 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)NC[C@H]1CCCO1 ZINC000573213349 651941754 /nfs/dbraw/zinc/94/17/54/651941754.db2.gz UAQLWBSODYYMIB-MRXNPFEDSA-N 1 0 397.313 2.340 20 0 GEADRO CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000573218092 651942019 /nfs/dbraw/zinc/94/20/19/651942019.db2.gz ZPPRZBINUOGVIP-GJZGRUSLSA-N 1 0 385.599 2.020 20 0 GEADRO CNS(=O)(=O)CCC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000573215459 651942046 /nfs/dbraw/zinc/94/20/46/651942046.db2.gz NHKOIGMKUYONJZ-UHFFFAOYSA-N 1 0 378.897 2.100 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000573244993 651944272 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C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)c1ccc(Br)cc1 ZINC000617505700 651955117 /nfs/dbraw/zinc/95/51/17/651955117.db2.gz MZZNTXOSTJCOEH-ZDUSSCGKSA-N 1 0 384.318 2.020 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000573442779 651956451 /nfs/dbraw/zinc/95/64/51/651956451.db2.gz QLCUMTBHRVTZOK-MVWJERBFSA-N 1 0 376.810 2.447 20 0 GEADRO CCN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CC[N@H+](C)C1 ZINC000617558016 651958018 /nfs/dbraw/zinc/95/80/18/651958018.db2.gz YJPAEWJNUWFQBR-CVEARBPZSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H](CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O)[NH+](C)C ZINC000617748299 651969826 /nfs/dbraw/zinc/96/98/26/651969826.db2.gz PTXDVEQYDVRKDY-GFCCVEGCSA-N 1 0 395.301 2.006 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000617768287 651971559 /nfs/dbraw/zinc/97/15/59/651971559.db2.gz XOPSHOSWHLXCPG-UHFFFAOYSA-N 1 0 382.346 2.480 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000617765788 651971809 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COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742310570 651978953 /nfs/dbraw/zinc/97/89/53/651978953.db2.gz YOLQIVKUYKYPLA-MWLCHTKSSA-N 1 0 395.294 2.358 20 0 GEADRO CCCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCC[C@@H](C)C1 ZINC000573818067 651981236 /nfs/dbraw/zinc/98/12/36/651981236.db2.gz JNCCUYWRNJDIRY-SJORKVTESA-N 1 0 375.579 2.065 20 0 GEADRO Cc1nc(NC(=O)c2cn(CC[NH3+])nn2)sc1Cc1ccccc1Cl ZINC000573817756 651981317 /nfs/dbraw/zinc/98/13/17/651981317.db2.gz UVCBKXUZCRYVSY-UHFFFAOYSA-N 1 0 376.873 2.498 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000573845251 651982948 /nfs/dbraw/zinc/98/29/48/651982948.db2.gz UPALWMOXQPJRFT-YUMQZZPRSA-N 1 0 392.681 2.292 20 0 GEADRO Cn1ncc(Br)c1CN[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000573896892 651986448 /nfs/dbraw/zinc/98/64/48/651986448.db2.gz XOTSIWRBGYVCPK-KRWDZBQOSA-N 1 0 392.345 2.261 20 0 GEADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000573916444 651988093 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CCCN1C[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)CC1=O ZINC000576272300 652101300 /nfs/dbraw/zinc/10/13/00/652101300.db2.gz WFUPVNBXNQXWDL-HIFRSBDPSA-N 1 0 385.302 2.037 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCn2cc(Br)cn2)C[C@H](C)O1 ZINC000620535333 652106910 /nfs/dbraw/zinc/10/69/10/652106910.db2.gz ZGBKUNZQTBDGGO-LZWOXQAQSA-N 1 0 399.333 2.136 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000620553067 652107644 /nfs/dbraw/zinc/10/76/44/652107644.db2.gz VGLBJOWPBNAZKD-GFCCVEGCSA-N 1 0 384.274 2.114 20 0 GEADRO Cc1cc(C)c(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657083749 652108199 /nfs/dbraw/zinc/10/81/99/652108199.db2.gz FAXPWIWYAIAWLF-KRWDZBQOSA-N 1 0 380.535 2.410 20 0 GEADRO [NH3+]CCCN(CC1CCCC1)C(=O)CCn1cc(Br)ccc1=O ZINC000576344889 652108375 /nfs/dbraw/zinc/10/83/75/652108375.db2.gz KWUBVRLZWQEIQQ-UHFFFAOYSA-N 1 0 384.318 2.369 20 0 GEADRO Cc1csc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1I ZINC000576343684 652108571 /nfs/dbraw/zinc/10/85/71/652108571.db2.gz YPNKOKAMBRAJCD-ZDUSSCGKSA-N 1 0 376.263 2.487 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CCCCO)CC2)c(Br)c1 ZINC000746488719 652110369 /nfs/dbraw/zinc/11/03/69/652110369.db2.gz ZALXNEHRPNMOMB-OAHLLOKOSA-N 1 0 398.345 2.475 20 0 GEADRO C[C@H](NC(=O)CN1CC[NH+](CCCCO)CC1)c1ccc(Br)cc1 ZINC000746488454 652110698 /nfs/dbraw/zinc/11/06/98/652110698.db2.gz UUUZWZWJXDIENE-HNNXBMFYSA-N 1 0 398.345 2.016 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000657090710 652110855 /nfs/dbraw/zinc/11/08/55/652110855.db2.gz FWFDNMCTHQWFBV-SECBINFHSA-N 1 0 383.283 2.215 20 0 GEADRO C[C@H](CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)[NH+](C)C ZINC000657091865 652111328 /nfs/dbraw/zinc/11/13/28/652111328.db2.gz QQVZVDXGKAKNHX-ZIAGYGMSSA-N 1 0 390.933 2.374 20 0 GEADRO OC[C@]1([C@H]([NH2+]Cc2ncc(I)s2)C2CC2)CCCO1 ZINC000576417854 652116050 /nfs/dbraw/zinc/11/60/50/652116050.db2.gz VSLWSGMPOVTULY-OLZOCXBDSA-N 1 0 394.278 2.157 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000746603975 652116868 /nfs/dbraw/zinc/11/68/68/652116868.db2.gz XQGXEEMRFVCKNP-CYBMUJFWSA-N 1 0 385.965 2.153 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1nc(N2CCCC2)sc1=S ZINC000746650089 652119608 /nfs/dbraw/zinc/11/96/08/652119608.db2.gz RIVMZAZHMRLPDQ-ILXRZTDVSA-N 1 0 383.587 2.415 20 0 GEADRO O=C(Cc1cc[nH]c(=O)c1Br)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620780628 652121056 /nfs/dbraw/zinc/12/10/56/652121056.db2.gz KIMUDOBWGWUIHX-OAHLLOKOSA-N 1 0 390.281 2.483 20 0 GEADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cnnn1C ZINC000657122290 652120875 /nfs/dbraw/zinc/12/08/75/652120875.db2.gz PZJLIGYWISWRQF-UHFFFAOYSA-N 1 0 385.921 2.001 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000576492748 652122434 /nfs/dbraw/zinc/12/24/34/652122434.db2.gz CXMCEYWRMFJZBJ-CQSZACIVSA-N 1 0 376.270 2.309 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C(F)(F)F)n1 ZINC000746828941 652125729 /nfs/dbraw/zinc/12/57/29/652125729.db2.gz INPWJNMCVSGGRL-SLEUVZQESA-N 1 0 377.432 2.335 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1Cl ZINC000576585368 652129177 /nfs/dbraw/zinc/12/91/77/652129177.db2.gz VLZYRIJIMVVLHL-UHFFFAOYSA-N 1 0 385.917 2.316 20 0 GEADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)s2)cc1 ZINC000621137417 652131318 /nfs/dbraw/zinc/13/13/18/652131318.db2.gz ZLZRQFMKKFFJFF-UHFFFAOYSA-N 1 0 381.523 2.167 20 0 GEADRO CC(C)[C@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC[NH2+]1 ZINC000621149307 652132066 /nfs/dbraw/zinc/13/20/66/652132066.db2.gz FEINDTGWNAKQPW-CQSZACIVSA-N 1 0 383.286 2.219 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000621148078 652132258 /nfs/dbraw/zinc/13/22/58/652132258.db2.gz HBHCUHCKEUVMMS-HNNXBMFYSA-N 1 0 382.302 2.025 20 0 GEADRO CC(C)[C@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC[NH2+]1 ZINC000621152114 652133028 /nfs/dbraw/zinc/13/30/28/652133028.db2.gz PJKWXIHBKNQDLP-LLVKDONJSA-N 1 0 388.331 2.039 20 0 GEADRO CCN(CCC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)CC(F)(F)F ZINC000576691703 652138440 /nfs/dbraw/zinc/13/84/40/652138440.db2.gz AJDNOHQBEWHTNF-CQSZACIVSA-N 1 0 385.496 2.055 20 0 GEADRO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(Br)c[nH]c1=O ZINC000621260988 652139226 /nfs/dbraw/zinc/13/92/26/652139226.db2.gz ZPLAELMWESBVGF-UHFFFAOYSA-N 1 0 398.301 2.315 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cnn(CC(F)(F)F)c1 ZINC000657161378 652140254 /nfs/dbraw/zinc/14/02/54/652140254.db2.gz OVOXBALNSQVRPH-LBPRGKRZSA-N 1 0 380.436 2.131 20 0 GEADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC000747136983 652144263 /nfs/dbraw/zinc/14/42/63/652144263.db2.gz VRDRPYKKGBQXRK-HNNXBMFYSA-N 1 0 380.535 2.431 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000576886392 652150855 /nfs/dbraw/zinc/15/08/55/652150855.db2.gz KPFIPJIYQJPCHM-HNNXBMFYSA-N 1 0 384.318 2.206 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1CO ZINC000621367780 652152238 /nfs/dbraw/zinc/15/22/38/652152238.db2.gz FVFZGKNRMUMKNB-NWDGAFQWSA-N 1 0 375.332 2.419 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@@H](C[NH3+])C1 ZINC000576936641 652156193 /nfs/dbraw/zinc/15/61/93/652156193.db2.gz CSCZLLGUBGIWQH-HUUCEWRRSA-N 1 0 393.285 2.213 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC1CC[NH2+]CC1 ZINC000621469086 652156871 /nfs/dbraw/zinc/15/68/71/652156871.db2.gz GILQYXKTJDKFSW-HNNXBMFYSA-N 1 0 382.302 2.072 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CCC2(CC[NH2+]C2)CC1 ZINC000576945348 652157418 /nfs/dbraw/zinc/15/74/18/652157418.db2.gz ZEZSLBQTYBWUFF-UHFFFAOYSA-N 1 0 395.297 2.365 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000657341316 652161791 /nfs/dbraw/zinc/16/17/91/652161791.db2.gz URYDIKGMGFRGDW-INIZCTEOSA-N 1 0 383.334 2.185 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NCc2c(F)cncc2Br)CC1 ZINC000657358727 652161849 /nfs/dbraw/zinc/16/18/49/652161849.db2.gz MSHQYIOVLOBQAC-UHFFFAOYSA-N 1 0 387.297 2.016 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000657446032 652165281 /nfs/dbraw/zinc/16/52/81/652165281.db2.gz HMPDRPNNFTYRNN-UHFFFAOYSA-N 1 0 399.310 2.208 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000747469325 652166150 /nfs/dbraw/zinc/16/61/50/652166150.db2.gz DMOHXSMRVIJIHU-ZDUSSCGKSA-N 1 0 381.468 2.367 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657513088 652168514 /nfs/dbraw/zinc/16/85/14/652168514.db2.gz JEQRXDRQWHHGEB-UHFFFAOYSA-N 1 0 390.228 2.268 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621833963 652168591 /nfs/dbraw/zinc/16/85/91/652168591.db2.gz NUKCJJPKFMNNBT-UHFFFAOYSA-N 1 0 399.285 2.409 20 0 GEADRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000657526275 652169738 /nfs/dbraw/zinc/16/97/38/652169738.db2.gz FKSPMVMPZDPPQM-GFCCVEGCSA-N 1 0 390.347 2.059 20 0 GEADRO O=C(Nc1cccc(Br)c1F)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657527191 652169840 /nfs/dbraw/zinc/16/98/40/652169840.db2.gz QOYKAWXSCSJHAZ-GHMZBOCLSA-N 1 0 384.249 2.270 20 0 GEADRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000657526276 652169903 /nfs/dbraw/zinc/16/99/03/652169903.db2.gz FKSPMVMPZDPPQM-LBPRGKRZSA-N 1 0 390.347 2.059 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CCc2cc(Br)ccc21 ZINC000577222731 652171159 /nfs/dbraw/zinc/17/11/59/652171159.db2.gz PQFGLDLSIJICGD-WBVHZDCISA-N 1 0 381.314 2.442 20 0 GEADRO O=C(Nc1cccc(Br)c1F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000657535270 652171250 /nfs/dbraw/zinc/17/12/50/652171250.db2.gz LGWNOIDMLPMJJK-DGCLKSJQSA-N 1 0 384.249 2.270 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cccnc1Oc1cccc(Br)c1 ZINC000577220584 652171234 /nfs/dbraw/zinc/17/12/34/652171234.db2.gz JXGFURAQKWDMKF-AWEZNQCLSA-N 1 0 392.253 2.355 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657558831 652172572 /nfs/dbraw/zinc/17/25/72/652172572.db2.gz GARXXEIZYPUUAE-UHFFFAOYSA-N 1 0 386.265 2.327 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000577244315 652173164 /nfs/dbraw/zinc/17/31/64/652173164.db2.gz XXZNBGXLARLDDK-CQSZACIVSA-N 1 0 386.338 2.407 20 0 GEADRO CCN(C)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cn1 ZINC000657564968 652174044 /nfs/dbraw/zinc/17/40/44/652174044.db2.gz ZZAKYGDVNWPARK-UHFFFAOYSA-N 1 0 392.301 2.215 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)CCNC(=S)NC1CC[NH+](C)CC1 ZINC000747668254 652174245 /nfs/dbraw/zinc/17/42/45/652174245.db2.gz UUWJOLBGBJAVCU-UHFFFAOYSA-N 1 0 384.933 2.236 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622012692 652174520 /nfs/dbraw/zinc/17/45/20/652174520.db2.gz FKSSDYTUAKWLHX-NHYWBVRUSA-N 1 0 389.315 2.268 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000577268315 652174611 /nfs/dbraw/zinc/17/46/11/652174611.db2.gz JCKGURRYQSBOJA-KGLIPLIRSA-N 1 0 380.286 2.357 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000577269552 652174830 /nfs/dbraw/zinc/17/48/30/652174830.db2.gz VLNHOHSPMPLLCC-ABAIWWIYSA-N 1 0 385.295 2.479 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622014157 652174825 /nfs/dbraw/zinc/17/48/25/652174825.db2.gz AHNAKTJWBAVPFI-QMTHXVAHSA-N 1 0 377.279 2.399 20 0 GEADRO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c(F)cc1Br ZINC000622015129 652175559 /nfs/dbraw/zinc/17/55/59/652175559.db2.gz QUEIPBJANGEICI-YGRLFVJLSA-N 1 0 377.279 2.399 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(CCOc1ccccc1Br)C2=O ZINC000577278152 652175670 /nfs/dbraw/zinc/17/56/70/652175670.db2.gz UPLIEIYUFOXEKN-PXAZEXFGSA-N 1 0 396.285 2.267 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC[C@@H]1CC1(F)F ZINC000622016274 652175975 /nfs/dbraw/zinc/17/59/75/652175975.db2.gz CFKLVHOJKBLOMO-CYBMUJFWSA-N 1 0 395.493 2.279 20 0 GEADRO Cn1ncc(Br)c1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597255 652177730 /nfs/dbraw/zinc/17/77/30/652177730.db2.gz RHISBAUNILMLKS-OAHLLOKOSA-N 1 0 379.302 2.039 20 0 GEADRO CC(C)CNC(=S)N(CC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000747760342 652177859 /nfs/dbraw/zinc/17/78/59/652177859.db2.gz QBDVPSLXGPOUHG-INIZCTEOSA-N 1 0 377.620 2.125 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000577364331 652182020 /nfs/dbraw/zinc/18/20/20/652182020.db2.gz RXSCANWSOQSPIN-HNNXBMFYSA-N 1 0 386.677 2.253 20 0 GEADRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657655792 652186691 /nfs/dbraw/zinc/18/66/91/652186691.db2.gz HLRUXEMAMXVYDP-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc3c(cc2Br)OCO3)CCO1 ZINC000622185803 652189405 /nfs/dbraw/zinc/18/94/05/652189405.db2.gz QCRVXTQRRJZMNS-GFCCVEGCSA-N 1 0 399.285 2.361 20 0 GEADRO CC[NH+]1CCN(CC(=O)NCC(F)(F)c2ccc(Br)cc2)CC1 ZINC000622207346 652190479 /nfs/dbraw/zinc/19/04/79/652190479.db2.gz CLYSPPIYXHGQGX-UHFFFAOYSA-N 1 0 390.272 2.295 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000657730243 652198429 /nfs/dbraw/zinc/19/84/29/652198429.db2.gz ZMPPVKKEMMWIHL-YMTOWFKASA-N 1 0 398.276 2.434 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])s1 ZINC000577606686 652200711 /nfs/dbraw/zinc/20/07/11/652200711.db2.gz GKOQPDNNELFNEQ-ZFWWWQNUSA-N 1 0 387.571 2.302 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC000577606684 652200992 /nfs/dbraw/zinc/20/09/92/652200992.db2.gz GKOQPDNNELFNEQ-HIFRSBDPSA-N 1 0 387.571 2.302 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000577609658 652201477 /nfs/dbraw/zinc/20/14/77/652201477.db2.gz GQNTUMATWWNJCE-ZIAGYGMSSA-N 1 0 380.901 2.064 20 0 GEADRO CNC(=O)CC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCCCC1 ZINC000657762770 652202950 /nfs/dbraw/zinc/20/29/50/652202950.db2.gz OCCCVHHJEKMNPG-UHFFFAOYSA-N 1 0 387.933 2.164 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000657833568 652209056 /nfs/dbraw/zinc/20/90/56/652209056.db2.gz VHBRWOTXYKOPKC-UHFFFAOYSA-N 1 0 386.265 2.389 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@@H+]1C ZINC000657856153 652211114 /nfs/dbraw/zinc/21/11/14/652211114.db2.gz LQNUFDRCDQACTP-QWRGUYRKSA-N 1 0 386.265 2.468 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623028373 652217976 /nfs/dbraw/zinc/21/79/76/652217976.db2.gz ILHFWSPLUTXGSH-LBPRGKRZSA-N 1 0 395.305 2.275 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cncc(Br)c1 ZINC000657950990 652220328 /nfs/dbraw/zinc/22/03/28/652220328.db2.gz PWAKRSVNGGTNNP-KNHMANMVSA-N 1 0 381.274 2.215 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cncc(Br)c1 ZINC000657951392 652220886 /nfs/dbraw/zinc/22/08/86/652220886.db2.gz VICPMUCHVJMRET-JRPNMDOOSA-N 1 0 378.274 2.422 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000623055346 652221708 /nfs/dbraw/zinc/22/17/08/652221708.db2.gz PQZJRSLPAPDNSJ-CHWSQXEVSA-N 1 0 378.274 2.239 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000623066599 652222318 /nfs/dbraw/zinc/22/23/18/652222318.db2.gz LFWNBVPBUDDOSU-CYBMUJFWSA-N 1 0 392.301 2.344 20 0 GEADRO COC[C@H](CC1CCOCC1)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000657997934 652228348 /nfs/dbraw/zinc/22/83/48/652228348.db2.gz HXBNEFYBDGTGGM-HOTGVXAUSA-N 1 0 385.302 2.397 20 0 GEADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577951097 652231043 /nfs/dbraw/zinc/23/10/43/652231043.db2.gz XFRRKDBHIQFOEP-SCRDCRAPSA-N 1 0 382.291 2.414 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623405083 652235169 /nfs/dbraw/zinc/23/51/69/652235169.db2.gz XNAULEOJQGIREY-UHFFFAOYSA-N 1 0 384.395 2.282 20 0 GEADRO CO[C@H](C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@H]1CCOC1 ZINC000658071637 652235182 /nfs/dbraw/zinc/23/51/82/652235182.db2.gz IZRNPUIBAQBCAX-PKFCDNJMSA-N 1 0 397.324 2.343 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000578009209 652235752 /nfs/dbraw/zinc/23/57/52/652235752.db2.gz LWINPAXGCOXQGH-DOMZBBRYSA-N 1 0 392.301 2.154 20 0 GEADRO COC[C@@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658092677 652236551 /nfs/dbraw/zinc/23/65/51/652236551.db2.gz PQANANMNRDMNLK-MRXNPFEDSA-N 1 0 392.297 2.421 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(Br)c1 ZINC000658125209 652237851 /nfs/dbraw/zinc/23/78/51/652237851.db2.gz WAAJPKGPHINRLP-NSHDSACASA-N 1 0 398.301 2.385 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000658120479 652238487 /nfs/dbraw/zinc/23/84/87/652238487.db2.gz ISWYOJRRWMTUEQ-NSHDSACASA-N 1 0 383.290 2.019 20 0 GEADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]CCN2CCC2)c1 ZINC000623470164 652239482 /nfs/dbraw/zinc/23/94/82/652239482.db2.gz BKOFCOKKASGKHO-UHFFFAOYSA-N 1 0 388.339 2.500 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)c3c(c2)OCCO3)cn1 ZINC000623488683 652240909 /nfs/dbraw/zinc/24/09/09/652240909.db2.gz YEMQVYXUGWNDRD-UHFFFAOYSA-N 1 0 395.257 2.231 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000749252934 652242772 /nfs/dbraw/zinc/24/27/72/652242772.db2.gz RECAVTVWYSSCQX-LLVKDONJSA-N 1 0 385.486 2.254 20 0 GEADRO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C(=O)NCCF ZINC000623515358 652244131 /nfs/dbraw/zinc/24/41/31/652244131.db2.gz ZVBCRNYCTLCDFT-QMMMGPOBSA-N 1 0 375.267 2.465 20 0 GEADRO Cn1cc(-c2ccc(C[NH+]3CCC(N4CCCS4(=O)=O)CC3)s2)cn1 ZINC000578119623 652244473 /nfs/dbraw/zinc/24/44/73/652244473.db2.gz IXWILOILGMCGQX-UHFFFAOYSA-N 1 0 380.539 2.149 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)ncc1Br ZINC000623523660 652244858 /nfs/dbraw/zinc/24/48/58/652244858.db2.gz IGFNWDZHSLXZQU-ZDUSSCGKSA-N 1 0 376.320 2.056 20 0 GEADRO CN(C)c1c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)ccc(F)c1F ZINC000623521842 652244997 /nfs/dbraw/zinc/24/49/97/652244997.db2.gz KVCCKXAKLDXVFT-SWLSCSKDSA-N 1 0 375.485 2.228 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000623542865 652245946 /nfs/dbraw/zinc/24/59/46/652245946.db2.gz VDHFEHRVBZOPPV-BPQIPLTHSA-N 1 0 392.341 2.041 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749350666 652248100 /nfs/dbraw/zinc/24/81/00/652248100.db2.gz WHRPPYSPYCVPNN-LBPRGKRZSA-N 1 0 393.289 2.029 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000658281251 652249861 /nfs/dbraw/zinc/24/98/61/652249861.db2.gz OOGDSZKYSKHLCV-ZDUSSCGKSA-N 1 0 376.473 2.061 20 0 GEADRO COc1nccnc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623645216 652251171 /nfs/dbraw/zinc/25/11/71/652251171.db2.gz SLMUBPOWMNRUBF-KRWDZBQOSA-N 1 0 378.270 2.257 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2ccc3ncc(I)n3c2)CC[N@@H+]1C ZINC000749399957 652251437 /nfs/dbraw/zinc/25/14/37/652251437.db2.gz LBAWKMUQHASCNR-PWSUYJOCSA-N 1 0 398.248 2.151 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1C ZINC000623645028 652251398 /nfs/dbraw/zinc/25/13/98/652251398.db2.gz KPDZDMXIIFMPPT-SFHVURJKSA-N 1 0 393.329 2.258 20 0 GEADRO Fc1ccc(Br)cc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623654005 652252805 /nfs/dbraw/zinc/25/28/05/652252805.db2.gz TYHIVHHCZRTXRV-CYBMUJFWSA-N 1 0 391.248 2.394 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000578231533 652254650 /nfs/dbraw/zinc/25/46/50/652254650.db2.gz IKIWZCBZLFSDMP-FZMZJTMJSA-N 1 0 383.286 2.397 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000658333760 652254668 /nfs/dbraw/zinc/25/46/68/652254668.db2.gz SVQQXANGKSNZJM-LBPRGKRZSA-N 1 0 389.327 2.320 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1OC)[C@H]1CC[N@H+](C)C1 ZINC000658360327 652254958 /nfs/dbraw/zinc/25/49/58/652254958.db2.gz GTOUCELMBCRFSS-LBPRGKRZSA-N 1 0 398.301 2.257 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244747 652255686 /nfs/dbraw/zinc/25/56/86/652255686.db2.gz IFILUNCKNJXPCN-CHWSQXEVSA-N 1 0 381.464 2.280 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F)[C@H]1CC[N@H+](C)C1 ZINC000658361238 652256521 /nfs/dbraw/zinc/25/65/21/652256521.db2.gz VYHUYJYSINANGA-NSHDSACASA-N 1 0 375.803 2.433 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000658371979 652258629 /nfs/dbraw/zinc/25/86/29/652258629.db2.gz RWBPLBUZLLRLKP-UHFFFAOYSA-N 1 0 381.267 2.099 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000623759698 652259282 /nfs/dbraw/zinc/25/92/82/652259282.db2.gz WZFWJSYDZWAXOQ-QGZVFWFLSA-N 1 0 379.302 2.099 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2OC)CC[C@@H]1[NH3+] ZINC000658375555 652259414 /nfs/dbraw/zinc/25/94/14/652259414.db2.gz IZPYNSJGIYRZRN-SKDRFNHKSA-N 1 0 395.294 2.345 20 0 GEADRO CS[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C[C@H]1[NH+](C)C ZINC000578287430 652259693 /nfs/dbraw/zinc/25/96/93/652259693.db2.gz HWCVZHWZBGMMGL-ZJUUUORDSA-N 1 0 384.855 2.368 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ccc[nH]c1=O ZINC000623777355 652259770 /nfs/dbraw/zinc/25/97/70/652259770.db2.gz BCKOVVSPPGMFPN-LLVKDONJSA-N 1 0 394.269 2.353 20 0 GEADRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000578302601 652260534 /nfs/dbraw/zinc/26/05/34/652260534.db2.gz FIOUYMDOCCCQLQ-HNNXBMFYSA-N 1 0 387.933 2.369 20 0 GEADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000578315988 652261374 /nfs/dbraw/zinc/26/13/74/652261374.db2.gz ITQIHPAYVSLQQA-ZIAGYGMSSA-N 1 0 385.302 2.322 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000658380929 652261403 /nfs/dbraw/zinc/26/14/03/652261403.db2.gz LFALJEWCRBQAAD-ZJUUUORDSA-N 1 0 395.294 2.393 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1Cl ZINC000658383364 652262518 /nfs/dbraw/zinc/26/25/18/652262518.db2.gz GRIQSMYUQIHRPS-SRCQZFHVSA-N 1 0 388.917 2.398 20 0 GEADRO [NH3+]CCC1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000658383909 652262797 /nfs/dbraw/zinc/26/27/97/652262797.db2.gz PCHNFBQAINAVRP-UHFFFAOYSA-N 1 0 379.295 2.479 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(F)F ZINC000578322299 652262929 /nfs/dbraw/zinc/26/29/29/652262929.db2.gz PZSBYIBBXASWDO-PRHODGIISA-N 1 0 380.222 2.445 20 0 GEADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000658389593 652263228 /nfs/dbraw/zinc/26/32/28/652263228.db2.gz VSDBFZHAZYNZPL-LBPRGKRZSA-N 1 0 376.906 2.113 20 0 GEADRO CCc1ncc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)s1 ZINC000658392546 652264568 /nfs/dbraw/zinc/26/45/68/652264568.db2.gz JRBQMVQZAPXMBW-HUUCEWRRSA-N 1 0 381.523 2.138 20 0 GEADRO C[C@@H]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)[C@H](C[NH3+])C1 ZINC000658400484 652265668 /nfs/dbraw/zinc/26/56/68/652265668.db2.gz CRDWOGNSFMWKNK-YPMHNXCESA-N 1 0 390.347 2.263 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000658401323 652265735 /nfs/dbraw/zinc/26/57/35/652265735.db2.gz CKXMAPMVWFOXSI-GFCCVEGCSA-N 1 0 375.897 2.420 20 0 GEADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000658410154 652267471 /nfs/dbraw/zinc/26/74/71/652267471.db2.gz IDVNJYQYTOHXKY-ZETCQYMHSA-N 1 0 375.210 2.354 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658423755 652269042 /nfs/dbraw/zinc/26/90/42/652269042.db2.gz JWZPXLIKSAVGSK-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl)[NH+](C)C ZINC000658423887 652269102 /nfs/dbraw/zinc/26/91/02/652269102.db2.gz NOAXIJDOISOCNE-SECBINFHSA-N 1 0 376.682 2.497 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br)[NH+](C)C ZINC000658424566 652269573 /nfs/dbraw/zinc/26/95/73/652269573.db2.gz CAPCDIFSPXMTBW-QMMMGPOBSA-N 1 0 378.217 2.122 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)cc1Br ZINC000658425843 652269848 /nfs/dbraw/zinc/26/98/48/652269848.db2.gz HKKQOHUDZOTAFR-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000624096601 652270279 /nfs/dbraw/zinc/27/02/79/652270279.db2.gz DCHSJAFYFZHLPY-KBPBESRZSA-N 1 0 375.485 2.331 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Br)c2cccnc12)[NH+](C)C ZINC000658429886 652271073 /nfs/dbraw/zinc/27/10/73/652271073.db2.gz ZJJNMVOPZNMPOA-LLVKDONJSA-N 1 0 393.285 2.392 20 0 GEADRO C[C@@]1(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCC[NH2+]C1 ZINC000578435036 652272753 /nfs/dbraw/zinc/27/27/53/652272753.db2.gz HSQWBUODGGIIRI-SCLBCKFNSA-N 1 0 394.313 2.308 20 0 GEADRO COC1CCC(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000749924006 652272916 /nfs/dbraw/zinc/27/29/16/652272916.db2.gz AAHRFSDAILJIPQ-SHARSMKWSA-N 1 0 389.949 2.499 20 0 GEADRO Cc1nnc([C@@H]2CCCN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)C2)[nH]1 ZINC000578440983 652273090 /nfs/dbraw/zinc/27/30/90/652273090.db2.gz WYFJRAITQFNGAT-SJKOYZFVSA-N 1 0 392.301 2.456 20 0 GEADRO Cc1nnc([C@H]2CCCN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)C2)[nH]1 ZINC000578440984 652273152 /nfs/dbraw/zinc/27/31/52/652273152.db2.gz WYFJRAITQFNGAT-YVEFUNNKSA-N 1 0 392.301 2.456 20 0 GEADRO COC1CCC(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000749924007 652273126 /nfs/dbraw/zinc/27/31/26/652273126.db2.gz AAHRFSDAILJIPQ-SLTAFYQDSA-N 1 0 389.949 2.499 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Br)cnc1C)[C@H]1CC[N@H+](CC)C1 ZINC000658467700 652277053 /nfs/dbraw/zinc/27/70/53/652277053.db2.gz NLFCYWDLFHUONR-ZDUSSCGKSA-N 1 0 383.290 2.034 20 0 GEADRO CCN(C(=O)C(=O)Nc1c(F)cccc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000658469156 652278009 /nfs/dbraw/zinc/27/80/09/652278009.db2.gz WDPOKWUYOQGFAX-NSHDSACASA-N 1 0 386.265 2.469 20 0 GEADRO O[C@@H](CN1CCCC2(CCC[N@H+](C[C@H](O)C(F)(F)F)C2)C1)C(F)(F)F ZINC000578581086 652279842 /nfs/dbraw/zinc/27/98/42/652279842.db2.gz CQRNEZDRMLCWKL-VYAYZGMFSA-N 1 0 378.357 2.011 20 0 GEADRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624285146 652279984 /nfs/dbraw/zinc/27/99/84/652279984.db2.gz KLVNCNGEOPFDFC-JTQLQIEISA-N 1 0 399.866 2.370 20 0 GEADRO CC[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000624285491 652280650 /nfs/dbraw/zinc/28/06/50/652280650.db2.gz UVFBVDIKRWXPPK-AWEZNQCLSA-N 1 0 381.420 2.117 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658540264 652285584 /nfs/dbraw/zinc/28/55/84/652285584.db2.gz SWFATAMGUVXJFO-UHFFFAOYSA-N 1 0 398.301 2.195 20 0 GEADRO O=S(=O)(CC[NH2+][C@H](CO)Cc1ccccc1)c1cccc(Br)c1 ZINC000578651627 652285805 /nfs/dbraw/zinc/28/58/05/652285805.db2.gz DMLPEQRASIHYRK-INIZCTEOSA-N 1 0 398.322 2.416 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658537929 652285984 /nfs/dbraw/zinc/28/59/84/652285984.db2.gz ARPZLGNSONFEQV-UHFFFAOYSA-N 1 0 388.693 2.369 20 0 GEADRO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624391037 652287633 /nfs/dbraw/zinc/28/76/33/652287633.db2.gz ONEUMHBTAHZSDT-CHWSQXEVSA-N 1 0 382.452 2.229 20 0 GEADRO COCCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000624391424 652288350 /nfs/dbraw/zinc/28/83/50/652288350.db2.gz XDNVWMDKVNUIPZ-UKRRQHHQSA-N 1 0 380.432 2.023 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@H]1C[NH2+]CCC1(F)F ZINC000578729994 652289194 /nfs/dbraw/zinc/28/91/94/652289194.db2.gz GJUXEJHZVSBIQK-PWSUYJOCSA-N 1 0 394.191 2.318 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc2ncc(I)n2c1 ZINC000750298844 652289148 /nfs/dbraw/zinc/28/91/48/652289148.db2.gz HVWCRSWSLIZFFS-NSHDSACASA-N 1 0 398.248 2.153 20 0 GEADRO C[NH2+]CCOCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000624394677 652289597 /nfs/dbraw/zinc/28/95/97/652289597.db2.gz MUZVHSUYTIRTDC-UHFFFAOYSA-N 1 0 394.337 2.239 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1Cl ZINC000624404495 652290982 /nfs/dbraw/zinc/29/09/82/652290982.db2.gz QXTKFIAAPGAJMT-GHMZBOCLSA-N 1 0 397.324 2.437 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000624405464 652291147 /nfs/dbraw/zinc/29/11/47/652291147.db2.gz KTWNSBKMNCDEIR-QWRGUYRKSA-N 1 0 377.304 2.185 20 0 GEADRO [NH3+]CCCOCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000624407399 652291548 /nfs/dbraw/zinc/29/15/48/652291548.db2.gz BAMVUGSCAKWWOT-UHFFFAOYSA-N 1 0 394.337 2.368 20 0 GEADRO COc1cc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1Br ZINC000624412200 652292283 /nfs/dbraw/zinc/29/22/83/652292283.db2.gz NDDCPNUZJNSFLG-GASCZTMLSA-N 1 0 389.315 2.078 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000624415741 652292914 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CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000750653253 652303867 /nfs/dbraw/zinc/30/38/67/652303867.db2.gz JLKBGUUUPIPFDL-CYBMUJFWSA-N 1 0 387.933 2.193 20 0 GEADRO COCc1cc(NCCc2cn3cc(Br)cc(C)c3n2)ncn1 ZINC000578987533 652309061 /nfs/dbraw/zinc/30/90/61/652309061.db2.gz FJGBYCZMIXGLNQ-UHFFFAOYSA-N 1 0 376.258 2.996 20 0 GEADRO COc1ccc(Br)cc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000578988499 652309240 /nfs/dbraw/zinc/30/92/40/652309240.db2.gz JDYQEPZQTUIZIX-ZBFHGGJFSA-N 1 0 383.286 2.426 20 0 GEADRO [NH3+][C@H](CC(F)F)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000579005053 652310146 /nfs/dbraw/zinc/31/01/46/652310146.db2.gz YRCSZJWXCSPIOL-SECBINFHSA-N 1 0 375.173 2.098 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)c2ncc(Br)cc2Br)[C@H]1C ZINC000579008258 652310920 /nfs/dbraw/zinc/31/09/20/652310920.db2.gz NURACKUNAPYZEB-YUMQZZPRSA-N 1 0 377.080 2.429 20 0 GEADRO COC(=O)c1cn(CC[NH2+][C@H]2CCc3cc(Br)cc(C)c32)nn1 ZINC000579015214 652311468 /nfs/dbraw/zinc/31/14/68/652311468.db2.gz UWQUPZDROPGOQH-ZDUSSCGKSA-N 1 0 379.258 2.413 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000658777234 652312038 /nfs/dbraw/zinc/31/20/38/652312038.db2.gz FZKQXNKSMHKHFU-NSHDSACASA-N 1 0 375.803 2.480 20 0 GEADRO CC[N@H+](CC(=O)N[C@](C)(C(=O)OC)c1cccc(Br)c1)C1CC1 ZINC000750864013 652312247 /nfs/dbraw/zinc/31/22/47/652312247.db2.gz CZQDXDKSCOWNTK-KRWDZBQOSA-N 1 0 383.286 2.438 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750867140 652312402 /nfs/dbraw/zinc/31/24/02/652312402.db2.gz MPLDWBRQGVGJJY-UHFFFAOYSA-N 1 0 385.555 2.231 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Cl)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658807169 652314639 /nfs/dbraw/zinc/31/46/39/652314639.db2.gz MQUGKZURFDUCQS-CYBMUJFWSA-N 1 0 386.279 2.301 20 0 GEADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Br)s1)[C@H]1CC[N@H+](C)C1 ZINC000658807446 652315614 /nfs/dbraw/zinc/31/56/14/652315614.db2.gz OIGPHXDBDAPOGP-NSHDSACASA-N 1 0 388.331 2.022 20 0 GEADRO O=S1(=O)C[C@@H](C[NH2+]Cc2cncc(Br)c2)Oc2ccccc21 ZINC000579108658 652317938 /nfs/dbraw/zinc/31/79/38/652317938.db2.gz ITXYZEWYRSRAFA-CYBMUJFWSA-N 1 0 383.267 2.169 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000751020684 652320747 /nfs/dbraw/zinc/32/07/47/652320747.db2.gz IYLVGECVVKMGMH-UHFFFAOYSA-N 1 0 389.905 2.063 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000751107800 652324223 /nfs/dbraw/zinc/32/42/23/652324223.db2.gz HZISITXSLXGJLU-LBPRGKRZSA-N 1 0 391.921 2.166 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579208930 652324901 /nfs/dbraw/zinc/32/49/01/652324901.db2.gz FBSIJEVVDQPYAQ-KRWDZBQOSA-N 1 0 398.276 2.437 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]2c2ccc(Br)cc2)C1 ZINC000658892864 652325402 /nfs/dbraw/zinc/32/54/02/652325402.db2.gz HWUVGPKBNCVKCO-JKSUJKDBSA-N 1 0 394.313 2.275 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cccc2c(Br)ccnc12 ZINC000579212932 652325557 /nfs/dbraw/zinc/32/55/57/652325557.db2.gz XFNAHDGSFHHSSL-LLVKDONJSA-N 1 0 378.274 2.022 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(OC)cc2Br)CC1 ZINC000579290123 652330913 /nfs/dbraw/zinc/33/09/13/652330913.db2.gz DOCKJLQXAZEVHW-UHFFFAOYSA-N 1 0 398.345 2.444 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)CC1(OCC)CCOCC1 ZINC000625213218 652332202 /nfs/dbraw/zinc/33/22/02/652332202.db2.gz QGIVRQOKGJLPHL-UHFFFAOYSA-N 1 0 376.563 2.100 20 0 GEADRO COc1ccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c(Cl)c1 ZINC000579397163 652335390 /nfs/dbraw/zinc/33/53/90/652335390.db2.gz FKDREAUOLALIPG-UHFFFAOYSA-N 1 0 388.917 2.272 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1=O ZINC000658997929 652336732 /nfs/dbraw/zinc/33/67/32/652336732.db2.gz ADWQLTOBCNMERD-CYBMUJFWSA-N 1 0 397.317 2.391 20 0 GEADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccnc1OCC(F)F ZINC000625270083 652337412 /nfs/dbraw/zinc/33/74/12/652337412.db2.gz LFPYMZLMJOQJQA-STQMWFEESA-N 1 0 375.441 2.021 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000579442714 652338080 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C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000659079481 652341074 /nfs/dbraw/zinc/34/10/74/652341074.db2.gz UZOUSPCQVURDJI-CYBMUJFWSA-N 1 0 394.313 2.284 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000659082350 652341504 /nfs/dbraw/zinc/34/15/04/652341504.db2.gz MDLFGOKLZSUAKX-RYUDHWBXSA-N 1 0 394.313 2.269 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000659085146 652341587 /nfs/dbraw/zinc/34/15/87/652341587.db2.gz FRPQIIIVJHSRMR-MRVPVSSYSA-N 1 0 392.681 2.164 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c(Cl)cc1Br ZINC000659088520 652342503 /nfs/dbraw/zinc/34/25/03/652342503.db2.gz KJRVPCWHUWXLDE-YUMQZZPRSA-N 1 0 392.681 2.292 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC[C@H]1F ZINC000659109938 652344408 /nfs/dbraw/zinc/34/44/08/652344408.db2.gz SKNQPHOXOAHRPL-NXEZZACHSA-N 1 0 379.379 2.019 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659110087 652344539 /nfs/dbraw/zinc/34/45/39/652344539.db2.gz VZPJKHIIIZAHKU-GHMZBOCLSA-N 1 0 392.656 2.247 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000659114295 652344966 /nfs/dbraw/zinc/34/49/66/652344966.db2.gz VFTMKHOCMYXFHK-VIFPVBQESA-N 1 0 384.267 2.150 20 0 GEADRO CC(=O)N[C@@H](C)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000579603139 652347063 /nfs/dbraw/zinc/34/70/63/652347063.db2.gz IBZROAVUKYDQEA-ZDUSSCGKSA-N 1 0 396.329 2.397 20 0 GEADRO CC[NH2+]CCCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000579690247 652350415 /nfs/dbraw/zinc/35/04/15/652350415.db2.gz DTLHRNFQMAUUMV-UHFFFAOYSA-N 1 0 381.278 2.033 20 0 GEADRO O=C(C(=O)N1CCc2c1cccc2Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000579698296 652350881 /nfs/dbraw/zinc/35/08/81/652350881.db2.gz QEFMJXQGUHFONQ-CYBMUJFWSA-N 1 0 392.297 2.035 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000625524850 652352207 /nfs/dbraw/zinc/35/22/07/652352207.db2.gz MBVJGTJUAYWYRC-CMPLNLGQSA-N 1 0 377.432 2.182 20 0 GEADRO C[C@@H](CNC(=O)c1cc(I)c(F)cc1F)C[NH+](C)C ZINC000579744593 652352456 /nfs/dbraw/zinc/35/24/56/652352456.db2.gz DAWLFBLHAWDPBK-QMMMGPOBSA-N 1 0 382.192 2.497 20 0 GEADRO O=C(CCn1cc(Br)cn1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659350964 652354445 /nfs/dbraw/zinc/35/44/45/652354445.db2.gz VWFJKYJMRDQBKM-HOTGVXAUSA-N 1 0 395.276 2.437 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cs1 ZINC000659351872 652354523 /nfs/dbraw/zinc/35/45/23/652354523.db2.gz STPYNLRJUCPNSO-HUUCEWRRSA-N 1 0 382.482 2.166 20 0 GEADRO O=C(Cn1cc(Br)cn1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659350923 652354554 /nfs/dbraw/zinc/35/45/54/652354554.db2.gz TZFYDZDOOIVADE-GJZGRUSLSA-N 1 0 381.249 2.047 20 0 GEADRO COc1cc(NC(=O)c2cn(CCC[NH3+])nn2)c(Cl)cc1Br ZINC000659383285 652355880 /nfs/dbraw/zinc/35/58/80/652355880.db2.gz SMHPAQJVOSXYRO-UHFFFAOYSA-N 1 0 388.653 2.304 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2ncc(Br)cc2Br)CC[C@H]1F ZINC000659387570 652355959 /nfs/dbraw/zinc/35/59/59/652355959.db2.gz WTLDMCWQQLREIV-RKDXNWHRSA-N 1 0 381.043 2.118 20 0 GEADRO Cc1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000659390098 652356373 /nfs/dbraw/zinc/35/63/73/652356373.db2.gz SPFHEVZTPQIFRK-ZIAGYGMSSA-N 1 0 381.249 2.455 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000751500372 652357952 /nfs/dbraw/zinc/35/79/52/652357952.db2.gz AQPMXJWFCWSIES-AWEZNQCLSA-N 1 0 381.274 2.187 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659448055 652358212 /nfs/dbraw/zinc/35/82/12/652358212.db2.gz LBCWHWJHTUWCMQ-UHFFFAOYSA-N 1 0 385.306 2.465 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCCc2ccc(Cl)cc2Cl)n1 ZINC000659462882 652358673 /nfs/dbraw/zinc/35/86/73/652358673.db2.gz LZUGKUHEWWUOFD-UHFFFAOYSA-N 1 0 384.267 2.380 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000625580880 652358630 /nfs/dbraw/zinc/35/86/30/652358630.db2.gz LEYRVSRYGXQADT-AWEZNQCLSA-N 1 0 377.913 2.319 20 0 GEADRO 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CN(C(=O)C(=O)NCCSc1ccc(Cl)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000580102651 652366933 /nfs/dbraw/zinc/36/69/33/652366933.db2.gz LSGBKBFWQSLPNN-OAHLLOKOSA-N 1 0 381.929 2.243 20 0 GEADRO O=C(NCc1ccc(F)cc1Br)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000580181551 652369046 /nfs/dbraw/zinc/36/90/46/652369046.db2.gz OYDARNSXMKGJJP-GFCCVEGCSA-N 1 0 382.237 2.034 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)c1cc(Cl)cc(Br)c1F ZINC000580189900 652369759 /nfs/dbraw/zinc/36/97/59/652369759.db2.gz KCWJCJOREGTPSZ-UHFFFAOYSA-N 1 0 378.673 2.267 20 0 GEADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000625771958 652369809 /nfs/dbraw/zinc/36/98/09/652369809.db2.gz HTDLUWDHPJODNY-DZGCQCFKSA-N 1 0 396.329 2.174 20 0 GEADRO CN(CCOCC[NH3+])C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000625872479 652374121 /nfs/dbraw/zinc/37/41/21/652374121.db2.gz FPVRIVOJBKBABM-UHFFFAOYSA-N 1 0 382.262 2.074 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccncc2Br)CC[C@H]1C(F)(F)F ZINC000625874163 652374170 /nfs/dbraw/zinc/37/41/70/652374170.db2.gz 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CC[NH2+]CCCNC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000580539833 652382500 /nfs/dbraw/zinc/38/25/00/652382500.db2.gz VOSCLTSCBCZGBI-OAHLLOKOSA-N 1 0 397.317 2.162 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580538207 652382539 /nfs/dbraw/zinc/38/25/39/652382539.db2.gz JEZSABOTMBYMOK-SNVBAGLBSA-N 1 0 389.269 2.094 20 0 GEADRO Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1Br ZINC000580549013 652382925 /nfs/dbraw/zinc/38/29/25/652382925.db2.gz VSNRNEHFXKGIFD-GUYCJALGSA-N 1 0 393.281 2.313 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000580549597 652383200 /nfs/dbraw/zinc/38/32/00/652383200.db2.gz VTKMWQQDEAQXSB-HNNXBMFYSA-N 1 0 383.286 2.282 20 0 GEADRO COc1ncc(Br)cc1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000660074488 652383451 /nfs/dbraw/zinc/38/34/51/652383451.db2.gz OEHNUJAVWJVPIW-INIZCTEOSA-N 1 0 383.334 2.065 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000660091513 652385539 /nfs/dbraw/zinc/38/55/39/652385539.db2.gz KENXBGZSOBICQR-LBPRGKRZSA-N 1 0 379.309 2.213 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660092318 652385767 /nfs/dbraw/zinc/38/57/67/652385767.db2.gz SOCCJWFOBSXWIK-LLVKDONJSA-N 1 0 397.299 2.352 20 0 GEADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000580646862 652386965 /nfs/dbraw/zinc/38/69/65/652386965.db2.gz QIUPFXSPBQVOLB-KGLIPLIRSA-N 1 0 376.906 2.304 20 0 GEADRO NS(=O)(=O)c1cc(Cl)cc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000580649708 652386971 /nfs/dbraw/zinc/38/69/71/652386971.db2.gz ROQNDOUBBPSXDE-HUUCEWRRSA-N 1 0 390.958 2.474 20 0 GEADRO CC(=O)N1CC([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000580659525 652387585 /nfs/dbraw/zinc/38/75/85/652387585.db2.gz QDCOYSLDLFTGIQ-UHFFFAOYSA-N 1 0 377.080 2.114 20 0 GEADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCn2cc(Br)cn2)C[C@@H](C)C1 ZINC000580720915 652390000 /nfs/dbraw/zinc/39/00/00/652390000.db2.gz SSISTDKLYHNRSC-GZBFAFLISA-N 1 0 384.322 2.017 20 0 GEADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000580734754 652390348 /nfs/dbraw/zinc/39/03/48/652390348.db2.gz ITUUHKOWBQZOEA-GFCCVEGCSA-N 1 0 390.311 2.207 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000580772502 652391915 /nfs/dbraw/zinc/39/19/15/652391915.db2.gz FADVKFMDOIMLNB-VHSXEESVSA-N 1 0 381.278 2.159 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000580895398 652395658 /nfs/dbraw/zinc/39/56/58/652395658.db2.gz XBWYQMVITWVNFA-CJNGLKHVSA-N 1 0 385.917 2.316 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000626562696 652395919 /nfs/dbraw/zinc/39/59/19/652395919.db2.gz BZQNIIWMSPXORD-VIFPVBQESA-N 1 0 380.645 2.430 20 0 GEADRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000660237499 652396221 /nfs/dbraw/zinc/39/62/21/652396221.db2.gz FPABICHJWZOGNI-MRXNPFEDSA-N 1 0 399.310 2.180 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CSCCS2)[C@H](C)C1 ZINC000752984769 652397326 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C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000626832132 652404807 /nfs/dbraw/zinc/40/48/07/652404807.db2.gz RFONDOVWIKXGRR-CPCISQLKSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)[C@@H](C)C[NH2+]1 ZINC000626834169 652405579 /nfs/dbraw/zinc/40/55/79/652405579.db2.gz MNCHBUVSVMACEY-SFYZADRCSA-N 1 0 392.656 2.389 20 0 GEADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000660535387 652406013 /nfs/dbraw/zinc/40/60/13/652406013.db2.gz JFNQQYOLWUMSBY-RRFJBIMHSA-N 1 0 379.400 2.438 20 0 GEADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cncc(Br)c1 ZINC000581202743 652406237 /nfs/dbraw/zinc/40/62/37/652406237.db2.gz TZYIAULKODIQIY-NSHDSACASA-N 1 0 384.299 2.385 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2Cl)CC[C@@H]1C(F)(F)F ZINC000626859902 652406459 /nfs/dbraw/zinc/40/64/59/652406459.db2.gz LBWVOUZKNHTTNQ-IUCAKERBSA-N 1 0 381.757 2.403 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000626860666 652406773 /nfs/dbraw/zinc/40/67/73/652406773.db2.gz IAMFMNPWXMIMLE-WPRPVWTQSA-N 1 0 381.757 2.403 20 0 GEADRO CSc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000626861144 652406824 /nfs/dbraw/zinc/40/68/24/652406824.db2.gz KURFAMOTZYCFKR-GXFFZTMASA-N 1 0 375.416 2.333 20 0 GEADRO CCCc1csc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000626861366 652407060 /nfs/dbraw/zinc/40/70/60/652407060.db2.gz OEICXVZEMWZJEW-GXSJLCMTSA-N 1 0 378.420 2.020 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2F)CC[C@H]1C(F)(F)F ZINC000626861767 652407105 /nfs/dbraw/zinc/40/71/05/652407105.db2.gz SVDAEDQLSATLOP-PSASIEDQSA-N 1 0 381.757 2.403 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000626892388 652408113 /nfs/dbraw/zinc/40/81/13/652408113.db2.gz HCKSIQKNOVKMOG-JQWIXIFHSA-N 1 0 384.274 2.043 20 0 GEADRO CC(C)(C)n1nnc(CC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)n1 ZINC000660616964 652408290 /nfs/dbraw/zinc/40/82/90/652408290.db2.gz STLDVPRDONNKKY-ZDUSSCGKSA-N 1 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ZINC000626902515 652409268 /nfs/dbraw/zinc/40/92/68/652409268.db2.gz NNFXJGLCDHZIPU-CALCHBBNSA-N 1 0 398.276 2.293 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626902242 652409274 /nfs/dbraw/zinc/40/92/74/652409274.db2.gz IJWDGVXFHOPDGC-CALCHBBNSA-N 1 0 398.276 2.293 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)ccc3Br)C[C@H]12 ZINC000581298386 652409546 /nfs/dbraw/zinc/40/95/46/652409546.db2.gz GMEVNZXCMQEGCU-UBHAPETDSA-N 1 0 386.677 2.237 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C[NH2+]1 ZINC000626968028 652409719 /nfs/dbraw/zinc/40/97/19/652409719.db2.gz ANRSWPQWYFXTRG-YUELXQCFSA-N 1 0 381.318 2.468 20 0 GEADRO [NH3+]C1(CNC(=O)NCC2(c3ccccc3Br)CC2)CCOCC1 ZINC000626986424 652410595 /nfs/dbraw/zinc/41/05/95/652410595.db2.gz SUOPJYWSKGTGDW-UHFFFAOYSA-N 1 0 382.302 2.288 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)CCOCC[NH3+] ZINC000627001223 652411368 /nfs/dbraw/zinc/41/13/68/652411368.db2.gz AYADLTIHDUIYMA-NSHDSACASA-N 1 0 376.270 2.136 20 0 GEADRO O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)NC[C@@H]1COCC[NH2+]1 ZINC000627005613 652411607 /nfs/dbraw/zinc/41/16/07/652411607.db2.gz FHQISSQGULYXRN-OAHLLOKOSA-N 1 0 380.901 2.294 20 0 GEADRO O=C(NCc1n[nH]cc1Br)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660716728 652411890 /nfs/dbraw/zinc/41/18/90/652411890.db2.gz XWHXONIHNOSDCQ-ZDUSSCGKSA-N 1 0 378.274 2.246 20 0 GEADRO [NH3+]CC1(NC(=O)N[C@H]2CSc3ccc(Br)cc32)CCOCC1 ZINC000627020580 652412418 /nfs/dbraw/zinc/41/24/18/652412418.db2.gz DOZYYXVNDURLRM-LBPRGKRZSA-N 1 0 386.315 2.403 20 0 GEADRO [NH3+]C1(CNC(=O)N[C@@H]2CSc3ccc(Br)cc32)CCOCC1 ZINC000627021742 652412696 /nfs/dbraw/zinc/41/26/96/652412696.db2.gz QSDMQDQNXMZAMR-GFCCVEGCSA-N 1 0 386.315 2.403 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1)COc1cccc(Br)c1 ZINC000581424207 652412660 /nfs/dbraw/zinc/41/26/60/652412660.db2.gz FCRPIFRBGBNOAQ-UXLLHSPISA-N 1 0 386.286 2.117 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)COc1cccc(Br)c1 ZINC000581424205 652412756 /nfs/dbraw/zinc/41/27/56/652412756.db2.gz FCRPIFRBGBNOAQ-BFYDXBDKSA-N 1 0 386.286 2.117 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)NCc1cc(F)c(F)cc1Br ZINC000627034931 652413094 /nfs/dbraw/zinc/41/30/94/652413094.db2.gz RNJMYWWICPJUSB-UHFFFAOYSA-N 1 0 380.233 2.105 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccccc1Br)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627129095 652414846 /nfs/dbraw/zinc/41/48/46/652414846.db2.gz BZUOACIEYYUEAN-CZUORRHYSA-N 1 0 396.329 2.184 20 0 GEADRO CN(C(=O)NCC1([NH3+])CCOCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000627148896 652415931 /nfs/dbraw/zinc/41/59/31/652415931.db2.gz OJWXBLWJCMTNCT-CABCVRRESA-N 1 0 388.295 2.101 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000627157137 652416242 /nfs/dbraw/zinc/41/62/42/652416242.db2.gz OKUUAKGGVFDEFD-UHFFFAOYSA-N 1 0 385.306 2.384 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000581562648 652416610 /nfs/dbraw/zinc/41/66/10/652416610.db2.gz WQWPOPOYQMWXKS-INIZCTEOSA-N 1 0 394.313 2.152 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000753826646 652417259 /nfs/dbraw/zinc/41/72/59/652417259.db2.gz YHKKWVTVJHCOID-UHFFFAOYSA-N 1 0 395.301 2.333 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C[NH2+]1 ZINC000627210146 652418677 /nfs/dbraw/zinc/41/86/77/652418677.db2.gz MSNWELAKBYKGJY-DZGCQCFKSA-N 1 0 381.318 2.421 20 0 GEADRO [NH3+]CCCOCCNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000627212217 652419003 /nfs/dbraw/zinc/41/90/03/652419003.db2.gz KDMSRACDCBVFNX-UHFFFAOYSA-N 1 0 395.301 2.364 20 0 GEADRO [NH3+]CCCOCCNC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000627217963 652419017 /nfs/dbraw/zinc/41/90/17/652419017.db2.gz YDOYKQGNALDKLY-MRXNPFEDSA-N 1 0 399.333 2.400 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)C(=O)NCCOCCC[NH3+] ZINC000627212421 652419078 /nfs/dbraw/zinc/41/90/78/652419078.db2.gz MIAZDROPACAPRK-UHFFFAOYSA-N 1 0 376.270 2.485 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000581647949 652419849 /nfs/dbraw/zinc/41/98/49/652419849.db2.gz XVLYQNNLMIXSTA-KBMXLJTQSA-N 1 0 377.428 2.481 20 0 GEADRO O=C1[C@@H]([N@@H+]2CC[C@@H](Cn3ccnn3)C2)CCN1c1cccc(Br)c1 ZINC000661138460 652420046 /nfs/dbraw/zinc/42/00/46/652420046.db2.gz AYSVHGHEELIWCM-CJNGLKHVSA-N 1 0 390.285 2.168 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627244209 652420120 /nfs/dbraw/zinc/42/01/20/652420120.db2.gz ICJYHXCZFSBKIR-GXFFZTMASA-N 1 0 376.320 2.419 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)C(=O)NCc1cccs1 ZINC000753913508 652420508 /nfs/dbraw/zinc/42/05/08/652420508.db2.gz VJVGDBTXGHXACH-CHWSQXEVSA-N 1 0 381.523 2.475 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000753914844 652420585 /nfs/dbraw/zinc/42/05/85/652420585.db2.gz SFTYDWBUTQLARI-XJKSGUPXSA-N 1 0 384.523 2.348 20 0 GEADRO O=C(CC1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000581669560 652420972 /nfs/dbraw/zinc/42/09/72/652420972.db2.gz XQRDWUBZFQONIZ-UHFFFAOYSA-N 1 0 380.330 2.483 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661147517 652421203 /nfs/dbraw/zinc/42/12/03/652421203.db2.gz MMNUNNKKXGBXHB-QWHCGFSZSA-N 1 0 378.274 2.390 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627258221 652421205 /nfs/dbraw/zinc/42/12/05/652421205.db2.gz WWQHFYGDUMEGRJ-LSDHHAIUSA-N 1 0 385.277 2.188 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000581672194 652421282 /nfs/dbraw/zinc/42/12/82/652421282.db2.gz WZRNRDVFINWJPX-UHFFFAOYSA-N 1 0 398.859 2.331 20 0 GEADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627260959 652421365 /nfs/dbraw/zinc/42/13/65/652421365.db2.gz QVRWLVWRCMLULS-RYUDHWBXSA-N 1 0 378.270 2.212 20 0 GEADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)C1CCOCC1 ZINC000661160624 652421438 /nfs/dbraw/zinc/42/14/38/652421438.db2.gz MSYGTZZXSJRJLE-KRWDZBQOSA-N 1 0 399.329 2.439 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000627320331 652422637 /nfs/dbraw/zinc/42/26/37/652422637.db2.gz YZKNHLVEAMGVOG-CYBMUJFWSA-N 1 0 380.901 2.022 20 0 GEADRO COc1cc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)ccc1Br ZINC000627321418 652422671 /nfs/dbraw/zinc/42/26/71/652422671.db2.gz MRJYYLNKLCHWAZ-UHFFFAOYSA-N 1 0 386.334 2.413 20 0 GEADRO CCC(C)(C)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000661231068 652423925 /nfs/dbraw/zinc/42/39/25/652423925.db2.gz HWMYWTWDGAVTIU-CQSZACIVSA-N 1 0 390.571 2.125 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627346436 652424239 /nfs/dbraw/zinc/42/42/39/652424239.db2.gz QVKONAPMBTWSLP-HNNXBMFYSA-N 1 0 394.313 2.083 20 0 GEADRO C[NH+](C)CCCN(C(=O)CCCSC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000754067044 652426400 /nfs/dbraw/zinc/42/64/00/652426400.db2.gz IFNMHOFFXGTTDA-OAHLLOKOSA-N 1 0 378.604 2.266 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627419957 652427695 /nfs/dbraw/zinc/42/76/95/652427695.db2.gz SZDXIGXRKFWXHL-VNHYZAJKSA-N 1 0 396.329 2.268 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000581990419 652430540 /nfs/dbraw/zinc/43/05/40/652430540.db2.gz SEKHJUBYZZJHJV-LBPRGKRZSA-N 1 0 380.290 2.200 20 0 GEADRO Cc1cnc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000582016677 652431866 /nfs/dbraw/zinc/43/18/66/652431866.db2.gz IPJGBANDQJMPAN-ZDUSSCGKSA-N 1 0 378.523 2.083 20 0 GEADRO C[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]1CCO ZINC000661492546 652433008 /nfs/dbraw/zinc/43/30/08/652433008.db2.gz LBRROBQCUXGKIS-WFASDCNBSA-N 1 0 380.286 2.440 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1cccc(Br)c1 ZINC000661599268 652434454 /nfs/dbraw/zinc/43/44/54/652434454.db2.gz SQEFDTULBNPPAB-SWLSCSKDSA-N 1 0 380.286 2.378 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1cccc(Br)c1 ZINC000661599270 652434565 /nfs/dbraw/zinc/43/45/65/652434565.db2.gz SQEFDTULBNPPAB-WFASDCNBSA-N 1 0 380.286 2.378 20 0 GEADRO O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000661601757 652434851 /nfs/dbraw/zinc/43/48/51/652434851.db2.gz RQLHZUABSVBOFV-UKRRQHHQSA-N 1 0 384.307 2.253 20 0 GEADRO C[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@H](C)[C@H]1O ZINC000661627001 652435497 /nfs/dbraw/zinc/43/54/97/652435497.db2.gz MVINJTXDLCKHCM-UOIKSKOESA-N 1 0 399.329 2.235 20 0 GEADRO C[C@H]1C[NH+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H](C)C1O ZINC000661624002 652435693 /nfs/dbraw/zinc/43/56/93/652435693.db2.gz TXSWTBYVWAMSRK-QWRGUYRKSA-N 1 0 375.332 2.418 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000582112107 652435954 /nfs/dbraw/zinc/43/59/54/652435954.db2.gz PNDISDUAZANZGT-QWRGUYRKSA-N 1 0 378.274 2.076 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)C[C@H]21 ZINC000627646081 652437064 /nfs/dbraw/zinc/43/70/64/652437064.db2.gz BNKIJYBMVNCHRG-VIKVFOODSA-N 1 0 375.270 2.471 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627655516 652437614 /nfs/dbraw/zinc/43/76/14/652437614.db2.gz UOYWSIRNLVVVTA-HALDLXJZSA-N 1 0 381.270 2.049 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000627827893 652440169 /nfs/dbraw/zinc/44/01/69/652440169.db2.gz LYOPDHMLDZKDHI-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1nc2c(s1)CSCC2 ZINC000627907571 652441991 /nfs/dbraw/zinc/44/19/91/652441991.db2.gz BIUVOCDFJWTKLK-LBPRGKRZSA-N 1 0 380.539 2.004 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)sc1C(F)(F)F ZINC000582275360 652443095 /nfs/dbraw/zinc/44/30/95/652443095.db2.gz PZPINJYWPNIHOM-WCBMZHEXSA-N 1 0 378.420 2.350 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000582295612 652444102 /nfs/dbraw/zinc/44/41/02/652444102.db2.gz FUPMCQVGBNBECX-AWEZNQCLSA-N 1 0 378.274 2.237 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000582295613 652444172 /nfs/dbraw/zinc/44/41/72/652444172.db2.gz FUPMCQVGBNBECX-CQSZACIVSA-N 1 0 378.274 2.237 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCC(F)CC1 ZINC000662001352 652444631 /nfs/dbraw/zinc/44/46/31/652444631.db2.gz LTSAEDLVFRMFGN-VOMCLLRMSA-N 1 0 391.896 2.432 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000582349400 652446833 /nfs/dbraw/zinc/44/68/33/652446833.db2.gz NIELWRJMWQIIIZ-MNOVXSKESA-N 1 0 384.274 2.333 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000628062492 652448077 /nfs/dbraw/zinc/44/80/77/652448077.db2.gz HYFZUWFJQIGMGR-BPQIPLTHSA-N 1 0 394.357 2.335 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(Br)c(F)c1F ZINC000628062873 652448157 /nfs/dbraw/zinc/44/81/57/652448157.db2.gz RWPCAABVZPJWGV-UHFFFAOYSA-N 1 0 378.261 2.341 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000628123452 652452026 /nfs/dbraw/zinc/45/20/26/652452026.db2.gz QJNHJKZNKQEZQO-UHFFFAOYSA-N 1 0 385.277 2.454 20 0 GEADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124544 652452197 /nfs/dbraw/zinc/45/21/97/652452197.db2.gz LFDLVZQRYASYMB-MRXNPFEDSA-N 1 0 395.297 2.248 20 0 GEADRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)OCCO ZINC000582487104 652452365 /nfs/dbraw/zinc/45/23/65/652452365.db2.gz WXHYUMPLGGKTGO-GFCCVEGCSA-N 1 0 396.709 2.219 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000582537999 652454493 /nfs/dbraw/zinc/45/44/93/652454493.db2.gz LLIXTGMJONFPCW-ZDUSSCGKSA-N 1 0 377.432 2.453 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000582540790 652454655 /nfs/dbraw/zinc/45/46/55/652454655.db2.gz JIPOZIMJNNSGEP-DOMZBBRYSA-N 1 0 392.301 2.326 20 0 GEADRO O=C(CN1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccc(Br)cn1 ZINC000662293463 652455183 /nfs/dbraw/zinc/45/51/83/652455183.db2.gz SGYQXGSKPFOJHC-AWEZNQCLSA-N 1 0 381.318 2.494 20 0 GEADRO CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000662377993 652457862 /nfs/dbraw/zinc/45/78/62/652457862.db2.gz WFECPNIJJHLHKX-AWEZNQCLSA-N 1 0 387.571 2.029 20 0 GEADRO O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cc2c(s1)CC[NH2+]C2 ZINC000662385320 652458243 /nfs/dbraw/zinc/45/82/43/652458243.db2.gz RWKYYRIUSZZNOJ-UHFFFAOYSA-N 1 0 377.491 2.186 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000662408171 652459334 /nfs/dbraw/zinc/45/93/34/652459334.db2.gz MUNPCGCRTHZIRE-BBRMVZONSA-N 1 0 384.318 2.144 20 0 GEADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000662413264 652459839 /nfs/dbraw/zinc/45/98/39/652459839.db2.gz VHPDCPUJOPYVPW-UHFFFAOYSA-N 1 0 395.345 2.027 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662426019 652460198 /nfs/dbraw/zinc/46/01/98/652460198.db2.gz RBYXJEVIAVLSDP-QXSJWSMHSA-N 1 0 380.286 2.275 20 0 GEADRO CN(CCC[NH3+])S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000582725408 652460527 /nfs/dbraw/zinc/46/05/27/652460527.db2.gz UVYBZOSLMNWMGL-UHFFFAOYSA-N 1 0 375.210 2.437 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CCO1 ZINC000662430982 652460561 /nfs/dbraw/zinc/46/05/61/652460561.db2.gz FZCIQDLGNXFWFV-MEBBXXQBSA-N 1 0 380.242 2.292 20 0 GEADRO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000662442671 652461334 /nfs/dbraw/zinc/46/13/34/652461334.db2.gz POJVYBKKGWCOOU-OAHLLOKOSA-N 1 0 385.917 2.451 20 0 GEADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000582765936 652462046 /nfs/dbraw/zinc/46/20/46/652462046.db2.gz AJOBQQQNBPUPEU-HUUCEWRRSA-N 1 0 379.503 2.010 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000582821808 652462784 /nfs/dbraw/zinc/46/27/84/652462784.db2.gz BVWXXHUKPIXTOW-UHFFFAOYSA-N 1 0 397.313 2.351 20 0 GEADRO CCc1nsc(N2CCCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000662482643 652463742 /nfs/dbraw/zinc/46/37/42/652463742.db2.gz CPQQJZTXZQTWKB-UHFFFAOYSA-N 1 0 377.539 2.160 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000582854293 652464288 /nfs/dbraw/zinc/46/42/88/652464288.db2.gz WJTIMUUIAJRLQE-HNNXBMFYSA-N 1 0 388.325 2.018 20 0 GEADRO Cc1cc(Cc2cnc(NC(=O)C3(O)C[NH2+]C3)s2)ccc1Br ZINC000662510522 652465292 /nfs/dbraw/zinc/46/52/92/652465292.db2.gz WTRJSGMRGXRSEB-UHFFFAOYSA-N 1 0 382.283 2.078 20 0 GEADRO C[NH+](C)CCn1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)ccc1=O ZINC000755438907 652465439 /nfs/dbraw/zinc/46/54/39/652465439.db2.gz YEYYSEILJZQOHW-FMIVXFBMSA-N 1 0 381.885 2.476 20 0 GEADRO CCS(=O)(=O)Nc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1C ZINC000662518415 652465656 /nfs/dbraw/zinc/46/56/56/652465656.db2.gz FPNMVMGTQSOQIN-CQSZACIVSA-N 1 0 379.404 2.237 20 0 GEADRO O=C(NCc1ccc(F)cc1Br)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662514880 652465715 /nfs/dbraw/zinc/46/57/15/652465715.db2.gz CUCSYCFKTVSZRX-CYBMUJFWSA-N 1 0 396.264 2.424 20 0 GEADRO C[C@H](OC[C@@H](O)C[NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000582899731 652466020 /nfs/dbraw/zinc/46/60/20/652466020.db2.gz DXBMIGREBRUPMM-BBRMVZONSA-N 1 0 392.949 2.086 20 0 GEADRO O=C(NCc1cc(F)cc(Br)c1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662524673 652466029 /nfs/dbraw/zinc/46/60/29/652466029.db2.gz MUKHUEPLERIKDJ-CQSZACIVSA-N 1 0 396.264 2.424 20 0 GEADRO COCC[NH2+]C1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000582908919 652466778 /nfs/dbraw/zinc/46/67/78/652466778.db2.gz BWBLBQQEHSUMFT-ZDUSSCGKSA-N 1 0 384.318 2.477 20 0 GEADRO CC1(C)CC[NH2+][C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000662552853 652467673 /nfs/dbraw/zinc/46/76/73/652467673.db2.gz UHQIDXKBTUCTEC-CQSZACIVSA-N 1 0 382.302 2.073 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc(Br)cc(N2CCCC2)c1 ZINC000662570270 652467972 /nfs/dbraw/zinc/46/79/72/652467972.db2.gz JKOCHNCTPVVKRJ-INIZCTEOSA-N 1 0 382.302 2.158 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)c2cc(C(C)(C)[NH3+])no2)ccc1Br ZINC000662555306 652468044 /nfs/dbraw/zinc/46/80/44/652468044.db2.gz UKEMLBFYBJPQGB-UHFFFAOYSA-N 1 0 395.257 2.308 20 0 GEADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)CC1 ZINC000582945620 652468072 /nfs/dbraw/zinc/46/80/72/652468072.db2.gz UOXOCSJRWOOISU-UHFFFAOYSA-N 1 0 388.917 2.445 20 0 GEADRO Cc1c(Br)cncc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000662570295 652468074 /nfs/dbraw/zinc/46/80/74/652468074.db2.gz AZCXICAPZWWJAY-UHFFFAOYSA-N 1 0 381.318 2.099 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2[NH2+]CCC2(C)C)c(F)cc1F ZINC000662564349 652468092 /nfs/dbraw/zinc/46/80/92/652468092.db2.gz WIGZFCGAMHRCDL-CQSZACIVSA-N 1 0 375.441 2.443 20 0 GEADRO Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000662573094 652468414 /nfs/dbraw/zinc/46/84/14/652468414.db2.gz CTXWAKUFATUUJL-GFCCVEGCSA-N 1 0 396.264 2.424 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000582959016 652468857 /nfs/dbraw/zinc/46/88/57/652468857.db2.gz ULPAWMIQMBQCGV-SNVBAGLBSA-N 1 0 384.303 2.299 20 0 GEADRO CC(C)(C)N1C[C@@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1=O ZINC000662707648 652471130 /nfs/dbraw/zinc/47/11/30/652471130.db2.gz GKVJOONAMQRWFR-KZULUSFZSA-N 1 0 396.329 2.386 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CC[C@@H](CN2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000662712309 652471228 /nfs/dbraw/zinc/47/12/28/652471228.db2.gz HVPBICIWAKAHAF-SCLBCKFNSA-N 1 0 394.313 2.094 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000628793844 652471388 /nfs/dbraw/zinc/47/13/88/652471388.db2.gz LNWQTHZCTTYBAV-UHFFFAOYSA-N 1 0 379.258 2.239 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000662726831 652471636 /nfs/dbraw/zinc/47/16/36/652471636.db2.gz NCHHQZWHPUWBQC-HUUCEWRRSA-N 1 0 382.302 2.292 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662745165 652472785 /nfs/dbraw/zinc/47/27/85/652472785.db2.gz GZDRXFIAGHJNCJ-XOKHGSTOSA-N 1 0 396.329 2.018 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC000662745101 652472803 /nfs/dbraw/zinc/47/28/03/652472803.db2.gz FMBYFXWUISRABX-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000662746161 652472865 /nfs/dbraw/zinc/47/28/65/652472865.db2.gz RFEZYOBZALBRBB-QGZVFWFLSA-N 1 0 381.567 2.185 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCCc2cccc(Br)c2)n1 ZINC000662750171 652473188 /nfs/dbraw/zinc/47/31/88/652473188.db2.gz KGOCRZDXFRLFSH-UHFFFAOYSA-N 1 0 379.258 2.043 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C(F)(F)F ZINC000662783101 652474118 /nfs/dbraw/zinc/47/41/18/652474118.db2.gz INZYCENNVQHTCO-UTUOFQBUSA-N 1 0 396.207 2.318 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662785916 652474193 /nfs/dbraw/zinc/47/41/93/652474193.db2.gz XGAMZVGHHZBKQJ-GFOFROLCSA-N 1 0 394.313 2.380 20 0 GEADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c2ccccc12 ZINC000755754262 652475194 /nfs/dbraw/zinc/47/51/94/652475194.db2.gz VTWRVYYAQANEEO-OLZOCXBDSA-N 1 0 378.270 2.475 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862171 652476631 /nfs/dbraw/zinc/47/66/31/652476631.db2.gz FWUCTEHJSDEPKL-ZBEGNZNMSA-N 1 0 378.270 2.179 20 0 GEADRO Cn1cc(C[C@@H](O)C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000628969171 652476844 /nfs/dbraw/zinc/47/68/44/652476844.db2.gz OVIYZEUQUATBQZ-HZPDHXFCSA-N 1 0 385.295 2.049 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C(C1CC1)C1CC1 ZINC000583241908 652478538 /nfs/dbraw/zinc/47/85/38/652478538.db2.gz FUNPJBKGXHUTIQ-UHFFFAOYSA-N 1 0 385.551 2.422 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000662925352 652478725 /nfs/dbraw/zinc/47/87/25/652478725.db2.gz MYWLDEJXBDFTKH-HBSPSFQMSA-N 1 0 392.297 2.062 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000583253435 652478968 /nfs/dbraw/zinc/47/89/68/652478968.db2.gz SURFJNZIBYVHJB-LBPRGKRZSA-N 1 0 378.523 2.182 20 0 GEADRO CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000583258468 652479268 /nfs/dbraw/zinc/47/92/68/652479268.db2.gz VMWGHIRXKRKXFW-ZFWWWQNUSA-N 1 0 383.286 2.500 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000662943638 652479373 /nfs/dbraw/zinc/47/93/73/652479373.db2.gz VTHFPCDPULFSSM-AWEZNQCLSA-N 1 0 386.265 2.059 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H](N)c2ccccc2Br)CCO1 ZINC000662973219 652479974 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CC(C)OCC[C@@H](O)C[NH2+]CCOc1ccc(I)cc1 ZINC000583436578 652484803 /nfs/dbraw/zinc/48/48/03/652484803.db2.gz PUKOYFNGNRKAFI-CQSZACIVSA-N 1 0 393.265 2.436 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000756027557 652485427 /nfs/dbraw/zinc/48/54/27/652485427.db2.gz KWWPEZGCUDOYGF-CYBMUJFWSA-N 1 0 395.497 2.349 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000583470716 652485897 /nfs/dbraw/zinc/48/58/97/652485897.db2.gz ZVXQJTDEBMXZOB-NSHDSACASA-N 1 0 396.340 2.118 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000583484824 652486791 /nfs/dbraw/zinc/48/67/91/652486791.db2.gz RYFXZTNFBGMWDV-CQSZACIVSA-N 1 0 397.317 2.432 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000583500544 652487791 /nfs/dbraw/zinc/48/77/91/652487791.db2.gz FSWRXUIUEZAQMF-ZIAGYGMSSA-N 1 0 391.317 2.246 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000583552567 652489404 /nfs/dbraw/zinc/48/94/04/652489404.db2.gz 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C[C@H]1CN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C[C@@H]1[NH3+] ZINC000583982593 652504691 /nfs/dbraw/zinc/50/46/91/652504691.db2.gz ISIQRJCVZOCXJB-NHYWBVRUSA-N 1 0 395.301 2.496 20 0 GEADRO C[C@@]1(NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[NH2+]C1 ZINC000663609770 652506350 /nfs/dbraw/zinc/50/63/50/652506350.db2.gz CKWJNPKFDOLPNQ-CYBMUJFWSA-N 1 0 378.629 2.048 20 0 GEADRO CCC(=O)c1ccc(NC[C@]2([NH+](C)C)CCSC2)c(S(=O)(=O)NC)c1 ZINC000663685379 652508718 /nfs/dbraw/zinc/50/87/18/652508718.db2.gz AEEBRZYOMVMXIY-QGZVFWFLSA-N 1 0 385.555 2.037 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000756933221 652508901 /nfs/dbraw/zinc/50/89/01/652508901.db2.gz MHEOVFMFZKYFTM-GFCCVEGCSA-N 1 0 378.274 2.196 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000630567257 652512267 /nfs/dbraw/zinc/51/22/67/652512267.db2.gz MDLRMMJIQSIXMA-UHFFFAOYSA-N 1 0 377.242 2.216 20 0 GEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cnn1 ZINC000663826831 652512268 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NS(=O)(=O)c1cc(C[NH2+]CCN2CCc3ccccc3C2)ccc1Cl ZINC000631043244 652518738 /nfs/dbraw/zinc/51/87/38/652518738.db2.gz PJKRNRVEIYOBGR-UHFFFAOYSA-N 1 0 379.913 2.135 20 0 GEADRO COCCc1ncc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000631047100 652519253 /nfs/dbraw/zinc/51/92/53/652519253.db2.gz KIYYIXQMFLZXHC-ZDUSSCGKSA-N 1 0 383.539 2.433 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1C(=O)COc1cccc(I)c1 ZINC000584405242 652519821 /nfs/dbraw/zinc/51/98/21/652519821.db2.gz PSQVHPVUDUXEGX-ZDUSSCGKSA-N 1 0 388.249 2.400 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664067585 652519882 /nfs/dbraw/zinc/51/98/82/652519882.db2.gz MSJDGGHMYFCZOU-KRWDZBQOSA-N 1 0 396.329 2.498 20 0 GEADRO Brc1ccc2nnc(N3CCC[C@@H]([NH+]4CCOCC4)CC3)n2c1 ZINC000664079534 652520266 /nfs/dbraw/zinc/52/02/66/652520266.db2.gz LPOYKKHBAYICDQ-CQSZACIVSA-N 1 0 380.290 2.183 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2ccc3cncc(Br)c3n2)CCOCC1 ZINC000631307158 652521388 /nfs/dbraw/zinc/52/13/88/652521388.db2.gz 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GEADRO CN(C(=O)NCCOCC[NH+](C)C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000664731314 652537090 /nfs/dbraw/zinc/53/70/90/652537090.db2.gz GUPSMTLEIVGEIX-AWEZNQCLSA-N 1 0 378.300 2.246 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccnc2I)C1 ZINC000758323949 652537171 /nfs/dbraw/zinc/53/71/71/652537171.db2.gz IXXOUONJRQGHDK-LBPRGKRZSA-N 1 0 387.265 2.394 20 0 GEADRO O=S(=O)(NC1CC[NH2+]CC1)c1cc(Br)cc(Br)c1 ZINC000631900401 652538976 /nfs/dbraw/zinc/53/89/76/652538976.db2.gz RBNLZXJHTWKFMV-UHFFFAOYSA-N 1 0 398.120 2.242 20 0 GEADRO C[C@@H](NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cn1 ZINC000664791865 652539005 /nfs/dbraw/zinc/53/90/05/652539005.db2.gz KFIKZYSGTNUTIO-DOMZBBRYSA-N 1 0 397.317 2.146 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000664798985 652539450 /nfs/dbraw/zinc/53/94/50/652539450.db2.gz NVCBOIMRBHBOLD-DOTOQJQBSA-N 1 0 397.361 2.488 20 0 GEADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000631903040 652539553 /nfs/dbraw/zinc/53/95/53/652539553.db2.gz 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O=S(=O)(CCC[NH+]1CCCC1)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000631976228 652543823 /nfs/dbraw/zinc/54/38/23/652543823.db2.gz WHUGOJGOIFSIGH-UHFFFAOYSA-N 1 0 384.889 2.295 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631976088 652543871 /nfs/dbraw/zinc/54/38/71/652543871.db2.gz ORHOCTFBXBYTPX-UMSPYCQHSA-N 1 0 377.304 2.254 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1Cl ZINC000631977991 652543957 /nfs/dbraw/zinc/54/39/57/652543957.db2.gz YOTZRKYECCKOFE-NSHDSACASA-N 1 0 376.906 2.414 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCCSCc2ccnc(Cl)c2)CCOCC1 ZINC000758496546 652544582 /nfs/dbraw/zinc/54/45/82/652544582.db2.gz OUMUUUWUZBEIKB-UHFFFAOYSA-N 1 0 386.949 2.378 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000758537449 652545768 /nfs/dbraw/zinc/54/57/68/652545768.db2.gz DGNHGIFHRNVREY-SNVBAGLBSA-N 1 0 376.935 2.400 20 0 GEADRO CCN(C(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1)[C@H]1CC[N@H+](C)C1 ZINC000665131085 652545790 /nfs/dbraw/zinc/54/57/90/652545790.db2.gz NROMCLMEDVMHNU-HNNXBMFYSA-N 1 0 387.933 2.369 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2ncsc2Br)C1 ZINC000632046387 652546434 /nfs/dbraw/zinc/54/64/34/652546434.db2.gz JCUHEKSGQCCHPK-NSHDSACASA-N 1 0 396.376 2.399 20 0 GEADRO O=S(=O)(C[C@H]1CCC(F)(F)C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000632056911 652547521 /nfs/dbraw/zinc/54/75/21/652547521.db2.gz NAZGMEZOUYYCNZ-HNNXBMFYSA-N 1 0 380.501 2.328 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(OC)c(O)cc2Br)C1 ZINC000665215430 652548191 /nfs/dbraw/zinc/54/81/91/652548191.db2.gz VIKULWXXFZAUMI-LBPRGKRZSA-N 1 0 386.290 2.447 20 0 GEADRO Cn1c(SCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nnc1-c1cccs1 ZINC000588639357 652553506 /nfs/dbraw/zinc/55/35/06/652553506.db2.gz UDQUZCWEWTXAER-OLZOCXBDSA-N 1 0 377.539 2.379 20 0 GEADRO Cn1c(SCC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nnc1-c1cccs1 ZINC000588639358 652553545 /nfs/dbraw/zinc/55/35/45/652553545.db2.gz UDQUZCWEWTXAER-QWHCGFSZSA-N 1 0 377.539 2.379 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000588702719 652555137 /nfs/dbraw/zinc/55/51/37/652555137.db2.gz YVTOGHZZRKGSCZ-LBPRGKRZSA-N 1 0 386.315 2.065 20 0 GEADRO COc1cc(NC(=O)c2cnn(CC[NH+](C)C)c2)cc(OC)c1Br ZINC000632305158 652556055 /nfs/dbraw/zinc/55/60/55/652556055.db2.gz NGIXEIOPRLDELB-UHFFFAOYSA-N 1 0 397.273 2.477 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000632368628 652559789 /nfs/dbraw/zinc/55/97/89/652559789.db2.gz IZVRXHOSWDTTLM-UKRRQHHQSA-N 1 0 390.933 2.468 20 0 GEADRO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000589187708 652561445 /nfs/dbraw/zinc/56/14/45/652561445.db2.gz KSRXNNHGIDDPHP-BBRMVZONSA-N 1 0 388.917 2.324 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000589212691 652562085 /nfs/dbraw/zinc/56/20/85/652562085.db2.gz JBPAWZKAXQIMJL-LBPRGKRZSA-N 1 0 386.290 2.360 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)c(Br)c1 ZINC000589230870 652562598 /nfs/dbraw/zinc/56/25/98/652562598.db2.gz HAXNWGXWFXODFA-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(OC)cc1Br ZINC000589233938 652563091 /nfs/dbraw/zinc/56/30/91/652563091.db2.gz SQMZAGOJSIQLEP-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO C[C@]1(C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)NC(=O)NC1=O ZINC000759165531 652565262 /nfs/dbraw/zinc/56/52/62/652565262.db2.gz INRSELKMAPNZBV-RHSMWYFYSA-N 1 0 386.279 2.337 20 0 GEADRO CSC1(CNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CC[NH+](C)CC1 ZINC000589335124 652565987 /nfs/dbraw/zinc/56/59/87/652565987.db2.gz VDYJXKYZAUGLRH-UHFFFAOYSA-N 1 0 385.555 2.347 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000666142512 652567426 /nfs/dbraw/zinc/56/74/26/652567426.db2.gz UHWHNGOJXVACFP-LBPRGKRZSA-N 1 0 399.310 2.193 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F)c1ccsc1 ZINC000666154036 652567745 /nfs/dbraw/zinc/56/77/45/652567745.db2.gz QBYIOZPLRFQSCU-BFHYXJOUSA-N 1 0 380.432 2.451 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1Cl ZINC000666220017 652569315 /nfs/dbraw/zinc/56/93/15/652569315.db2.gz SVKXECWGFHICKQ-UHFFFAOYSA-N 1 0 380.901 2.272 20 0 GEADRO CS(=O)(=O)Nc1cccc(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)c1 ZINC000589646261 652570408 /nfs/dbraw/zinc/57/04/08/652570408.db2.gz SPDSXIIYAFRDIR-UHFFFAOYSA-N 1 0 381.885 2.231 20 0 GEADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000759376443 652570982 /nfs/dbraw/zinc/57/09/82/652570982.db2.gz LEVZIQFWCKIPCZ-UHFFFAOYSA-N 1 0 391.697 2.201 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000632678982 652574129 /nfs/dbraw/zinc/57/41/29/652574129.db2.gz VMOQJNWQXLUCJZ-KRWDZBQOSA-N 1 0 379.551 2.496 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)c3nccn3c2)CC[N@@H+]1CC(C)(C)O ZINC000632679540 652574291 /nfs/dbraw/zinc/57/42/91/652574291.db2.gz KQLKQXNJIVSQLZ-GFCCVEGCSA-N 1 0 395.301 2.014 20 0 GEADRO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000590242876 652577244 /nfs/dbraw/zinc/57/72/44/652577244.db2.gz AAAZDVIUFUHVJP-DGCLKSJQSA-N 1 0 393.265 2.434 20 0 GEADRO CC1(C)OCC[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000590242882 652577321 /nfs/dbraw/zinc/57/73/21/652577321.db2.gz AKZCQJDZEDUVAO-GXTWGEPZSA-N 1 0 391.249 2.188 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cnc1Cl ZINC000759612609 652579727 /nfs/dbraw/zinc/57/97/27/652579727.db2.gz QBXPAPAROKBHDY-HNNXBMFYSA-N 1 0 387.933 2.309 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc2cncc(Br)c2n1 ZINC000632833353 652580564 /nfs/dbraw/zinc/58/05/64/652580564.db2.gz QKPOTOVHHSRECI-ZDUSSCGKSA-N 1 0 395.301 2.215 20 0 GEADRO CC(C)([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccc(Br)cc1 ZINC000591373878 652581680 /nfs/dbraw/zinc/58/16/80/652581680.db2.gz IOXMSINHYPFOGR-UHFFFAOYSA-N 1 0 396.329 2.403 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000591372897 652581730 /nfs/dbraw/zinc/58/17/30/652581730.db2.gz OUVMWGCGWGRCAQ-UHFFFAOYSA-N 1 0 390.336 2.211 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000633041386 652583064 /nfs/dbraw/zinc/58/30/64/652583064.db2.gz NCAVPXBKUDOHDJ-ZYHUDNBSSA-N 1 0 384.274 2.123 20 0 GEADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000633070041 652584885 /nfs/dbraw/zinc/58/48/85/652584885.db2.gz TXCFKFIRLMYEDP-QKGUJMCYSA-N 1 0 391.309 2.002 20 0 GEADRO C[C@@H](CNC(=O)NCc1ccsc1C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000633079129 652585283 /nfs/dbraw/zinc/58/52/83/652585283.db2.gz SIBVZDJNVAWYJR-LBPRGKRZSA-N 1 0 378.464 2.450 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(F)cc2Br)C1 ZINC000592101123 652585748 /nfs/dbraw/zinc/58/57/48/652585748.db2.gz WEMMZHOIKJMXSD-CYBMUJFWSA-N 1 0 389.265 2.194 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000633180524 652588646 /nfs/dbraw/zinc/58/86/46/652588646.db2.gz AWOHQIIXZMDVOF-UHFFFAOYSA-N 1 0 385.555 2.312 20 0 GEADRO CC[NH+]1CCC(CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000667112194 652592375 /nfs/dbraw/zinc/59/23/75/652592375.db2.gz WFCJIOPPVVBVCS-UHFFFAOYSA-N 1 0 381.274 2.493 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000667133408 652593302 /nfs/dbraw/zinc/59/33/02/652593302.db2.gz YXFRYOWHCJQKOU-WBVHZDCISA-N 1 0 386.334 2.382 20 0 GEADRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000760046514 652593416 /nfs/dbraw/zinc/59/34/16/652593416.db2.gz KHHDNSLLJSSXHL-CJNGLKHVSA-N 1 0 386.539 2.396 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000760046515 652593542 /nfs/dbraw/zinc/59/35/42/652593542.db2.gz KHHDNSLLJSSXHL-CZUORRHYSA-N 1 0 386.539 2.396 20 0 GEADRO Cc1c(Br)c(Cl)ncc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000760064883 652594481 /nfs/dbraw/zinc/59/44/81/652594481.db2.gz NSHWJQNVRRKYFG-SNVBAGLBSA-N 1 0 390.713 2.173 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)c2c[nH]c3ccc(Br)cc32)CC1 ZINC000592419412 652594529 /nfs/dbraw/zinc/59/45/29/652594529.db2.gz HWPAXYZLEJXJSD-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO CCN(C(=O)Nc1nc2cc(Br)ccn2n1)[C@H]1CC[N@H+](CC)C1 ZINC000667192063 652596146 /nfs/dbraw/zinc/59/61/46/652596146.db2.gz HOZJIEKIZRRYNE-LBPRGKRZSA-N 1 0 381.278 2.440 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000633428161 652596398 /nfs/dbraw/zinc/59/63/98/652596398.db2.gz KYKZFLLWZQZIQP-WFASDCNBSA-N 1 0 396.333 2.341 20 0 GEADRO Cn1cc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(Br)c1=O ZINC000667203902 652596757 /nfs/dbraw/zinc/59/67/57/652596757.db2.gz RZQBMPWDOLKFKO-OLZOCXBDSA-N 1 0 397.317 2.391 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2nc(SCc3ccccc3)ns2)CCO1 ZINC000667218302 652597582 /nfs/dbraw/zinc/59/75/82/652597582.db2.gz XOJZHGNKFVRJOQ-YPMHNXCESA-N 1 0 379.511 2.410 20 0 GEADRO COc1ccc(Br)c(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c1 ZINC000592497815 652597797 /nfs/dbraw/zinc/59/77/97/652597797.db2.gz IMHUJHWRGYVSTD-NSHDSACASA-N 1 0 393.285 2.420 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000667226121 652597973 /nfs/dbraw/zinc/59/79/73/652597973.db2.gz ZNHPHXFNEFMBKU-UHFFFAOYSA-N 1 0 387.322 2.241 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1Cl)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000667238434 652598211 /nfs/dbraw/zinc/59/82/11/652598211.db2.gz GNSQFWGTVVEQSF-SSDOTTSWSA-N 1 0 378.629 2.048 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667264553 652599522 /nfs/dbraw/zinc/59/95/22/652599522.db2.gz QCKMVMFOXRVHCF-MRVPVSSYSA-N 1 0 392.656 2.438 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667263274 652599574 /nfs/dbraw/zinc/59/95/74/652599574.db2.gz ZTQGYZFICINWME-GFCCVEGCSA-N 1 0 384.274 2.045 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000667266226 652599582 /nfs/dbraw/zinc/59/95/82/652599582.db2.gz QKSROQOFDPYDLE-MRVPVSSYSA-N 1 0 392.656 2.438 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000667264611 652599591 /nfs/dbraw/zinc/59/95/91/652599591.db2.gz ROZIMJHBLDZXTG-CYBMUJFWSA-N 1 0 398.301 2.433 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000592550321 652599814 /nfs/dbraw/zinc/59/98/14/652599814.db2.gz FNLNGQYRENHHHZ-PWSUYJOCSA-N 1 0 375.252 2.124 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCOc1ccc(C(F)(F)F)cn1 ZINC000760281023 652601849 /nfs/dbraw/zinc/60/18/49/652601849.db2.gz SQRGBVPPWMQYSZ-ZDUSSCGKSA-N 1 0 376.448 2.428 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000667374763 652602541 /nfs/dbraw/zinc/60/25/41/652602541.db2.gz OODWIAHNSNDCHE-GWCFXTLKSA-N 1 0 379.262 2.149 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000667378053 652602902 /nfs/dbraw/zinc/60/29/02/652602902.db2.gz HZYGUQFLPXXBEZ-MNOVXSKESA-N 1 0 386.677 2.394 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cc(Br)cnc1-n1cccn1 ZINC000667375736 652602973 /nfs/dbraw/zinc/60/29/73/652602973.db2.gz NAGVMXCELJZUOV-LBPRGKRZSA-N 1 0 379.262 2.293 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000667399635 652603659 /nfs/dbraw/zinc/60/36/59/652603659.db2.gz JVVZGTBIEQRCRP-SMDDNHRTSA-N 1 0 385.917 2.354 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667452211 652605918 /nfs/dbraw/zinc/60/59/18/652605918.db2.gz HCWNEZNGUNTUPK-SFYZADRCSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000667450314 652606042 /nfs/dbraw/zinc/60/60/42/652606042.db2.gz QVJHBFMMCGXRNX-SSDOTTSWSA-N 1 0 382.180 2.260 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667453073 652606274 /nfs/dbraw/zinc/60/62/74/652606274.db2.gz QRZXYJSUUBVDJH-WDEREUQCSA-N 1 0 375.416 2.475 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000667473999 652607251 /nfs/dbraw/zinc/60/72/51/652607251.db2.gz HYBMYUFIUFCUHJ-QGZVFWFLSA-N 1 0 380.286 2.216 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N[C@H]1CCC[NH2+]CC1 ZINC000667517416 652610010 /nfs/dbraw/zinc/61/00/10/652610010.db2.gz HBPWPLSSVMLVFR-LBPRGKRZSA-N 1 0 379.262 2.293 20 0 GEADRO Cc1ccc(C(=O)N2CCN(C(=S)NCC3CC[NH+](C)CC3)CC2)s1 ZINC000760477388 652611007 /nfs/dbraw/zinc/61/10/07/652611007.db2.gz GXAGUSUOXXTZML-UHFFFAOYSA-N 1 0 380.583 2.031 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667540425 652611512 /nfs/dbraw/zinc/61/15/12/652611512.db2.gz KPPKEWRCVWXDPI-TVQRCGJNSA-N 1 0 386.677 2.251 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667542119 652611799 /nfs/dbraw/zinc/61/17/99/652611799.db2.gz LEXWRNHOHYOHKI-SKDRFNHKSA-N 1 0 386.677 2.251 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667542116 652611939 /nfs/dbraw/zinc/61/19/39/652611939.db2.gz LEXWRNHOHYOHKI-BXKDBHETSA-N 1 0 386.677 2.251 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)CC[C@@H]1[NH3+] ZINC000667545456 652612152 /nfs/dbraw/zinc/61/21/52/652612152.db2.gz YBOIRNPHENYVND-MFKMUULPSA-N 1 0 386.265 2.421 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[C@@H]1[NH3+] ZINC000667545283 652612250 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2.437 20 0 GEADRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCCOc1cccc(I)c1 ZINC000593067635 652613426 /nfs/dbraw/zinc/61/34/26/652613426.db2.gz XVZCOVIXHBKYCZ-ZIAGYGMSSA-N 1 0 391.249 2.142 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667564051 652613705 /nfs/dbraw/zinc/61/37/05/652613705.db2.gz AQJBRLQBVYWZEK-SSDOTTSWSA-N 1 0 380.645 2.294 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000667630292 652615796 /nfs/dbraw/zinc/61/57/96/652615796.db2.gz UPXGFWYZXRTJFE-UHFFFAOYSA-N 1 0 384.249 2.129 20 0 GEADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667638294 652616300 /nfs/dbraw/zinc/61/63/00/652616300.db2.gz OKKKSWQHEZANMZ-QWHCGFSZSA-N 1 0 395.301 2.021 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCO1 ZINC000667639530 652616332 /nfs/dbraw/zinc/61/63/32/652616332.db2.gz AAFMIBGLYPARIP-BXUZGUMPSA-N 1 0 394.273 2.215 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000593308682 652616406 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Cn1ncc(Br)c1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000633994436 652626626 /nfs/dbraw/zinc/62/66/26/652626626.db2.gz YAAPXDVBWLLWRL-OAHLLOKOSA-N 1 0 377.286 2.463 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000634028439 652628349 /nfs/dbraw/zinc/62/83/49/652628349.db2.gz HHKIVABPYBLHBY-GLZXHMCRSA-N 1 0 379.298 2.172 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000668109407 652629048 /nfs/dbraw/zinc/62/90/48/652629048.db2.gz BCDMGQPFCXQAIX-WLYUNCDWSA-N 1 0 375.332 2.440 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)s1 ZINC000668154488 652630909 /nfs/dbraw/zinc/63/09/09/652630909.db2.gz RLEUIIVLPXASGL-RISCZKNCSA-N 1 0 379.507 2.024 20 0 GEADRO C[NH+]1CCN(c2ccnc(NC(=O)c3ccncc3Br)c2)CC1 ZINC000634196126 652633703 /nfs/dbraw/zinc/63/37/03/652633703.db2.gz MCEGFSMIJKJEHV-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO C[NH2+]C[C@H](C)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299339 652636746 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COC(=O)[C@H](NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000594430634 652648529 /nfs/dbraw/zinc/64/85/29/652648529.db2.gz ACUHFFKLOHEPMX-CPUCHLNUSA-N 1 0 381.270 2.169 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1F ZINC000594443261 652649954 /nfs/dbraw/zinc/64/99/54/652649954.db2.gz NYRXXPWJWKSLFN-UHFFFAOYSA-N 1 0 392.880 2.418 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c1F ZINC000594458465 652654177 /nfs/dbraw/zinc/65/41/77/652654177.db2.gz BUMADCQJGVUWKD-VIFPVBQESA-N 1 0 378.853 2.027 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000594458775 652655037 /nfs/dbraw/zinc/65/50/37/652655037.db2.gz XGZBZMDHXNSSMJ-KOLCDFICSA-N 1 0 378.853 2.027 20 0 GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594459852 652655075 /nfs/dbraw/zinc/65/50/75/652655075.db2.gz HIRHZFPXGHINBI-JTQLQIEISA-N 1 0 380.869 2.274 20 0 GEADRO C[C@H](C[NH2+]C[C@@H](O)CC1(O)CCOCC1)Oc1ccc(Br)cc1 ZINC000634705628 652655884 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Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000668665388 652657714 /nfs/dbraw/zinc/65/77/14/652657714.db2.gz PNXXELRMLHZGPO-UHFFFAOYSA-N 1 0 380.286 2.120 20 0 GEADRO C[C@](O)(C[C@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)C1CC1 ZINC000634721006 652658751 /nfs/dbraw/zinc/65/87/51/652658751.db2.gz SJSVYZBPMPYKNY-WBAXXEDZSA-N 1 0 386.330 2.102 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)C1CC1 ZINC000634721005 652658889 /nfs/dbraw/zinc/65/88/89/652658889.db2.gz SJSVYZBPMPYKNY-QGTPRVQTSA-N 1 0 386.330 2.102 20 0 GEADRO OCC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000634721236 652658952 /nfs/dbraw/zinc/65/89/52/652658952.db2.gz VIXRTKKTPYJFIR-XJKSGUPXSA-N 1 0 378.296 2.299 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2ccc(Br)cc2F)CC1 ZINC000668674680 652659098 /nfs/dbraw/zinc/65/90/98/652659098.db2.gz REVYPOLLGXUGGJ-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1Cl ZINC000634757662 652661777 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C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000669562198 652706127 /nfs/dbraw/zinc/70/61/27/652706127.db2.gz URSRVFYYPUYAGX-BMIGLBTASA-N 1 0 381.274 2.188 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NCC3CC[NH2+]CC3)nc12 ZINC000669559503 652706152 /nfs/dbraw/zinc/70/61/52/652706152.db2.gz MJRZUAGKQDBNNB-UHFFFAOYSA-N 1 0 380.290 2.204 20 0 GEADRO CCn1c(CNC(=O)NCC[NH2+]C2CC2)nc2cc(Br)ccc21 ZINC000669569891 652706648 /nfs/dbraw/zinc/70/66/48/652706648.db2.gz UCXYABYQVXQTQV-UHFFFAOYSA-N 1 0 380.290 2.370 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669587195 652707578 /nfs/dbraw/zinc/70/75/78/652707578.db2.gz CFFJRTKSVJJQDK-GJZGRUSLSA-N 1 0 398.349 2.457 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC3CC2(C[NH3+])C3)cc(Br)c1F ZINC000595231827 652708866 /nfs/dbraw/zinc/70/88/66/652708866.db2.gz ANCBNZRAQLBBAI-UHFFFAOYSA-N 1 0 386.221 2.330 20 0 GEADRO COc1cc(I)ccc1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000595233173 652708964 /nfs/dbraw/zinc/70/89/64/652708964.db2.gz 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C[C@H](C(=O)Nc1cccc(I)c1)N(C)CC(C)(C)[NH3+] ZINC000595901357 652742633 /nfs/dbraw/zinc/74/26/33/652742633.db2.gz FQQQWBSSTYFAJS-SNVBAGLBSA-N 1 0 375.254 2.287 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000670271409 652743112 /nfs/dbraw/zinc/74/31/12/652743112.db2.gz MYYPLIDQMLZNCA-ALXWSUNGSA-N 1 0 379.295 2.189 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCOc2cccc(Br)c2)C1 ZINC000670377948 652743749 /nfs/dbraw/zinc/74/37/49/652743749.db2.gz JZGSLACHMCKIKJ-KRWDZBQOSA-N 1 0 385.302 2.133 20 0 GEADRO COC(=O)[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1Br ZINC000595972489 652744712 /nfs/dbraw/zinc/74/47/12/652744712.db2.gz WGAXIFWLTGDXIK-JSGCOSHPSA-N 1 0 381.270 2.169 20 0 GEADRO CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000670408123 652745918 /nfs/dbraw/zinc/74/59/18/652745918.db2.gz HWUDTQBLMGMOCV-MRXNPFEDSA-N 1 0 380.330 2.233 20 0 GEADRO Cc1nc(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000670625635 652759401 /nfs/dbraw/zinc/75/94/01/652759401.db2.gz QIOASMXBHALACK-CQSZACIVSA-N 1 0 378.523 2.083 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000670677769 652760462 /nfs/dbraw/zinc/76/04/62/652760462.db2.gz CNFNVPSCBTVUQQ-OAHLLOKOSA-N 1 0 383.945 2.491 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1csc(C)n1)c1ccsc1 ZINC000670749014 652761525 /nfs/dbraw/zinc/76/15/25/652761525.db2.gz IVVIWKQGRCRORY-HNNXBMFYSA-N 1 0 380.539 2.329 20 0 GEADRO C[NH+](C)CC1(CNC(=O)C(=O)NCc2ccc(Br)cc2)CCCC1 ZINC000670832332 652766108 /nfs/dbraw/zinc/76/61/08/652766108.db2.gz XXQJUGYOGAMIAP-UHFFFAOYSA-N 1 0 396.329 2.304 20 0 GEADRO COc1ccc(C[C@@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)cc1Br ZINC000635995649 652771996 /nfs/dbraw/zinc/77/19/96/652771996.db2.gz PFLAYOBABFSVTO-CQSZACIVSA-N 1 0 399.329 2.067 20 0 GEADRO COc1ccc(C[C@H](CO)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1Br ZINC000635995236 652772028 /nfs/dbraw/zinc/77/20/28/652772028.db2.gz KHICHEKTGGHQJB-GJZGRUSLSA-N 1 0 399.329 2.067 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NC1CCC1 ZINC000671081386 652778070 /nfs/dbraw/zinc/77/80/70/652778070.db2.gz FICXVJWJESVPOV-UHFFFAOYSA-N 1 0 382.302 2.008 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671107915 652778809 /nfs/dbraw/zinc/77/88/09/652778809.db2.gz LKFUVDWPPSIUQY-HZPDHXFCSA-N 1 0 394.313 2.117 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1(C)C ZINC000636097948 652780645 /nfs/dbraw/zinc/78/06/45/652780645.db2.gz MNENYQKEHLMOHW-KGLIPLIRSA-N 1 0 396.285 2.239 20 0 GEADRO C[C@@]1(NC(=O)NCc2ccc(Cl)cc2I)CC[NH2+]C1 ZINC000597434010 652782964 /nfs/dbraw/zinc/78/29/64/652782964.db2.gz XSOGRRMNDSCXSZ-CYBMUJFWSA-N 1 0 393.656 2.496 20 0 GEADRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCS(=O)(=O)N2CCSCC2)cc1 ZINC000671295697 652790825 /nfs/dbraw/zinc/79/08/25/652790825.db2.gz LCFGMPDRSCDKGU-ZTFGCOKTSA-N 1 0 384.567 2.155 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000636255449 652790837 /nfs/dbraw/zinc/79/08/37/652790837.db2.gz IBINBRPUGCZMBG-SCLBCKFNSA-N 1 0 381.314 2.127 20 0 GEADRO C[C@@H](CCNC(=O)COc1cccc(I)c1)[NH+](C)C ZINC000597993351 652795020 /nfs/dbraw/zinc/79/50/20/652795020.db2.gz SAIBFBRFJBBSJV-NSHDSACASA-N 1 0 376.238 2.126 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)NCCNC(=O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000636477540 652804869 /nfs/dbraw/zinc/80/48/69/652804869.db2.gz VZHGVLFDVUFGQO-OAHLLOKOSA-N 1 0 387.311 2.422 20 0 GEADRO CCNC(=O)[C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636486250 652805231 /nfs/dbraw/zinc/80/52/31/652805231.db2.gz JHPAESUBLOQSQQ-IINYFYTJSA-N 1 0 375.300 2.420 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636502686 652806339 /nfs/dbraw/zinc/80/63/39/652806339.db2.gz REPMMWYUDMKQOK-INIZCTEOSA-N 1 0 394.313 2.198 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cn3ccc(Br)cc3n2)cn1 ZINC000671681849 652807413 /nfs/dbraw/zinc/80/74/13/652807413.db2.gz NEAIEHYBNPNNEI-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000671686126 652807961 /nfs/dbraw/zinc/80/79/61/652807961.db2.gz OTLCVVMSASTSNU-NSHDSACASA-N 1 0 375.416 2.321 20 0 GEADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000636567720 652809002 /nfs/dbraw/zinc/80/90/02/652809002.db2.gz MDSYYJHBKVTEHS-NWDGAFQWSA-N 1 0 375.416 2.126 20 0 GEADRO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C(=O)N(C)C ZINC000636582515 652809395 /nfs/dbraw/zinc/80/93/95/652809395.db2.gz GGUHPMPLKUOSHO-IINYFYTJSA-N 1 0 375.300 2.372 20 0 GEADRO C[C@@](CO)([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000671708260 652810227 /nfs/dbraw/zinc/81/02/27/652810227.db2.gz JVPJONSMQPKGJB-DOMZBBRYSA-N 1 0 376.316 2.071 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1ccc(C(F)(F)F)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000671766088 652812102 /nfs/dbraw/zinc/81/21/02/652812102.db2.gz XFEQXQMAFQLLJF-LLVKDONJSA-N 1 0 398.472 2.348 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000764977808 652817578 /nfs/dbraw/zinc/81/75/78/652817578.db2.gz DZLLZPNROGWNPD-IIAWOOMASA-N 1 0 387.933 2.252 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC000598539545 652819605 /nfs/dbraw/zinc/81/96/05/652819605.db2.gz LBDBNUIPHUKOOA-RKDXNWHRSA-N 1 0 387.299 2.480 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1cscn1 ZINC000671955761 652821817 /nfs/dbraw/zinc/82/18/17/652821817.db2.gz DIIUNAXGISMIDG-UHFFFAOYSA-N 1 0 380.901 2.003 20 0 GEADRO Cc1ccc(CNC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1Br ZINC000636908058 652829175 /nfs/dbraw/zinc/82/91/75/652829175.db2.gz MCQNMHFMWNSLPE-CYBMUJFWSA-N 1 0 394.313 2.140 20 0 GEADRO COC(=O)N1CCC([NH2+]C[C@H](O)COc2ccccc2Br)CC1 ZINC000765258858 652834443 /nfs/dbraw/zinc/83/44/43/652834443.db2.gz BXWWQSSVMKAIBK-ZDUSSCGKSA-N 1 0 387.274 2.009 20 0 GEADRO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000765268493 652834454 /nfs/dbraw/zinc/83/44/54/652834454.db2.gz ITHAWZFNLYBLQX-BFHYXJOUSA-N 1 0 391.603 2.137 20 0 GEADRO C[C@@H](CNC(=O)N1Cc2ccc(Br)cc2C1)C[NH+]1CCN(C)CC1 ZINC000765276279 652834812 /nfs/dbraw/zinc/83/48/12/652834812.db2.gz MMWRLZOVYMORCH-AWEZNQCLSA-N 1 0 395.345 2.358 20 0 GEADRO CC[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1cc(F)cc(Br)c1 ZINC000637060561 652835720 /nfs/dbraw/zinc/83/57/20/652835720.db2.gz HHZJBYIOHGDOQT-GJZGRUSLSA-N 1 0 388.281 2.405 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C ZINC000765513464 652842366 /nfs/dbraw/zinc/84/23/66/652842366.db2.gz RQOODHYNCBXWIA-UONOGXRCSA-N 1 0 384.571 2.048 20 0 GEADRO CC1(C)CN(C(=O)NCCCc2cccc(Br)c2)CC[N@@H+]1CCO ZINC000672847340 652846586 /nfs/dbraw/zinc/84/65/86/652846586.db2.gz IYZAPAGHUDANAS-UHFFFAOYSA-N 1 0 398.345 2.480 20 0 GEADRO CSC1(CNC(=O)NC[C@H](n2cccn2)C(F)(F)F)CC[NH+](C)CC1 ZINC000599064154 652847049 /nfs/dbraw/zinc/84/70/49/652847049.db2.gz CJHVXYDIBWRUKJ-LBPRGKRZSA-N 1 0 379.452 2.113 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCC[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000637246343 652848092 /nfs/dbraw/zinc/84/80/92/652848092.db2.gz BPRPJAIWOAHIJK-DOTOQJQBSA-N 1 0 390.311 2.437 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000599088472 652848698 /nfs/dbraw/zinc/84/86/98/652848698.db2.gz LGRFAYKIEFBCET-CQSZACIVSA-N 1 0 399.285 2.322 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)/C=C\c2ccsc2)c1 ZINC000765732342 652850592 /nfs/dbraw/zinc/85/05/92/652850592.db2.gz WCCBYUIJAISLNB-SREVYHEPSA-N 1 0 379.507 2.240 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672945245 652851650 /nfs/dbraw/zinc/85/16/50/652851650.db2.gz KRKRUQMVAYIVEK-CQSZACIVSA-N 1 0 398.345 2.478 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC/C=C\c2ccc(Br)cc2)C1 ZINC000637334732 652852061 /nfs/dbraw/zinc/85/20/61/652852061.db2.gz QQJVCQWXRKUOJD-POKLJVKSSA-N 1 0 382.302 2.218 20 0 GEADRO CN(C(=O)c1cc2ncc(Br)cn2n1)C(C)(C)C[NH+]1CCCC1 ZINC000637369816 652853365 /nfs/dbraw/zinc/85/33/65/652853365.db2.gz WPFKXLQZJMNOMP-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1cc(F)c(Br)cc1F ZINC000637371117 652854259 /nfs/dbraw/zinc/85/42/59/652854259.db2.gz XKFZBNAHVCJYTB-VFZGTOFNSA-N 1 0 392.244 2.154 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2ncc(Br)cn2n1 ZINC000637394884 652854883 /nfs/dbraw/zinc/85/48/83/652854883.db2.gz IBURYHVNTXZXGN-OCCSQVGLSA-N 1 0 378.274 2.239 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000637404554 652855951 /nfs/dbraw/zinc/85/59/51/652855951.db2.gz FWUBIHKSJFCLJH-KRWDZBQOSA-N 1 0 397.317 2.480 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000637407106 652857072 /nfs/dbraw/zinc/85/70/72/652857072.db2.gz RINUTJNNGDLVSZ-CQSZACIVSA-N 1 0 381.274 2.008 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000765929323 652857980 /nfs/dbraw/zinc/85/79/80/652857980.db2.gz DNRJBFLYWPHYNR-ZDUSSCGKSA-N 1 0 395.301 2.224 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NC[C@H](O)[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000637473118 652862391 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Cn1nnnc1CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000673605867 652872929 /nfs/dbraw/zinc/87/29/29/652872929.db2.gz KTLIYJSDEFVETL-UHFFFAOYSA-N 1 0 375.068 2.067 20 0 GEADRO C[N@@H+]1CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000637809608 652873843 /nfs/dbraw/zinc/87/38/43/652873843.db2.gz BRRSZZNBDSFFPJ-KRWDZBQOSA-N 1 0 379.913 2.476 20 0 GEADRO COC[C@]1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCCC[NH2+]1 ZINC000637936899 652878119 /nfs/dbraw/zinc/87/81/19/652878119.db2.gz IDAMGVSJHITIIQ-KRWDZBQOSA-N 1 0 398.301 2.053 20 0 GEADRO COC[C@@]1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCCC[NH2+]1 ZINC000637936904 652878230 /nfs/dbraw/zinc/87/82/30/652878230.db2.gz IDAMGVSJHITIIQ-QGZVFWFLSA-N 1 0 398.301 2.053 20 0 GEADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)C1 ZINC000637964293 652879272 /nfs/dbraw/zinc/87/92/72/652879272.db2.gz IPRDJQGTHKVFED-MEDUHNTESA-N 1 0 381.889 2.325 20 0 GEADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599627375 652880782 /nfs/dbraw/zinc/88/07/82/652880782.db2.gz LSADXRWSSKATTA-IINYFYTJSA-N 1 0 375.300 2.420 20 0 GEADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1ccc(S(N)(=O)=O)s1 ZINC000638017335 652881434 /nfs/dbraw/zinc/88/14/34/652881434.db2.gz CIGQPAHIVXTCMV-HNNXBMFYSA-N 1 0 379.551 2.492 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(F)cccc1Cl ZINC000766497357 652882814 /nfs/dbraw/zinc/88/28/14/652882814.db2.gz ISLMFWYQIQLVCS-ZDUSSCGKSA-N 1 0 376.881 2.401 20 0 GEADRO CCCC[N@H+](CCOC)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638071060 652883788 /nfs/dbraw/zinc/88/37/88/652883788.db2.gz ZFJKXOADYXTLNH-UHFFFAOYSA-N 1 0 379.320 2.345 20 0 GEADRO O=C(c1oc2ccccc2c1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638240975 652884101 /nfs/dbraw/zinc/88/41/01/652884101.db2.gz NYTWOVCQPJSRPU-LBPRGKRZSA-N 1 0 378.270 2.315 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000638269571 652884844 /nfs/dbraw/zinc/88/48/44/652884844.db2.gz RBYGWRRDYVAAFN-VNQPRFMTSA-N 1 0 394.313 2.184 20 0 GEADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000638291983 652885114 /nfs/dbraw/zinc/88/51/14/652885114.db2.gz DCYGRKRJHFPLBS-BLLLJJGKSA-N 1 0 379.258 2.340 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)ccc1F ZINC000638288086 652885180 /nfs/dbraw/zinc/88/51/80/652885180.db2.gz ZHEXTTFKZXTQFV-OAHLLOKOSA-N 1 0 383.514 2.461 20 0 GEADRO Cc1cc(C[NH3+])oc1C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000638297811 652885436 /nfs/dbraw/zinc/88/54/36/652885436.db2.gz AQLDYKOOMPLDMR-AWEZNQCLSA-N 1 0 392.253 2.123 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000638308397 652885917 /nfs/dbraw/zinc/88/59/17/652885917.db2.gz GQYYXEXNZUAWRI-UHFFFAOYSA-N 1 0 383.901 2.335 20 0 GEADRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000638411230 652888634 /nfs/dbraw/zinc/88/86/34/652888634.db2.gz MDERSSFVTYMMGY-WFASDCNBSA-N 1 0 382.302 2.216 20 0 GEADRO CS(=O)(=O)C1(C(=O)N(Cc2ccccc2Cl)CC2CC2)CC[NH2+]CC1 ZINC000638445724 652889720 /nfs/dbraw/zinc/88/97/20/652889720.db2.gz NYPDAJJLXOEGAC-UHFFFAOYSA-N 1 0 384.929 2.245 20 0 GEADRO FC(F)(F)CN1CC[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638458891 652890432 /nfs/dbraw/zinc/89/04/32/652890432.db2.gz DHKVXDAMGGJTRY-NSHDSACASA-N 1 0 378.196 2.218 20 0 GEADRO [NH3+]CCCn1cc(C(=O)Nc2cc(Cl)c(Br)cc2F)nn1 ZINC000638477255 652890968 /nfs/dbraw/zinc/89/09/68/652890968.db2.gz RPBQWPUDPUKRJM-UHFFFAOYSA-N 1 0 376.617 2.434 20 0 GEADRO CCN(CC[NH3+])C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000638519616 652892314 /nfs/dbraw/zinc/89/23/14/652892314.db2.gz QARBTQKJGPOGLT-CQSZACIVSA-N 1 0 396.329 2.417 20 0 GEADRO C[C@@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)n1cc(Br)cn1 ZINC000638528140 652892385 /nfs/dbraw/zinc/89/23/85/652892385.db2.gz HKJKTNLFRBAHCO-VBNZEHGJSA-N 1 0 377.286 2.469 20 0 GEADRO O=C(NCCc1ccc(I)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599922298 652892423 /nfs/dbraw/zinc/89/24/23/652892423.db2.gz IYVSXUPRRWJBEM-CQSZACIVSA-N 1 0 399.276 2.418 20 0 GEADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000638534233 652893022 /nfs/dbraw/zinc/89/30/22/652893022.db2.gz WFTUGYNKOSEENX-CQSZACIVSA-N 1 0 392.297 2.086 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCC1([NH3+])CCOCC1 ZINC000638538554 652893327 /nfs/dbraw/zinc/89/33/27/652893327.db2.gz RYKLROPPAGMMAC-JTQLQIEISA-N 1 0 391.693 2.494 20 0 GEADRO COC1CC[NH+](CCNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000674310333 652893900 /nfs/dbraw/zinc/89/39/00/652893900.db2.gz FDUMNYNTEVSROC-CYBMUJFWSA-N 1 0 385.302 2.443 20 0 GEADRO CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638552830 652894433 /nfs/dbraw/zinc/89/44/33/652894433.db2.gz SPHSKXKJPLIQFZ-YPMHNXCESA-N 1 0 378.416 2.080 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000638561920 652894942 /nfs/dbraw/zinc/89/49/42/652894942.db2.gz VATAROXQDYMPAY-SFHVURJKSA-N 1 0 390.281 2.400 20 0 GEADRO C[NH2+]CCOCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000638581428 652895873 /nfs/dbraw/zinc/89/58/73/652895873.db2.gz JHLGKENZYZWJCK-JTQLQIEISA-N 1 0 379.682 2.222 20 0 GEADRO [NH3+]CC1(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CCOCC1 ZINC000638633978 652899676 /nfs/dbraw/zinc/89/96/76/652899676.db2.gz KJXJGIRSOCMJLF-UHFFFAOYSA-N 1 0 380.798 2.180 20 0 GEADRO Cc1c(C(=O)NC2(C[NH3+])CCOCC2)cnn1-c1cccc(Br)c1 ZINC000638634156 652899971 /nfs/dbraw/zinc/89/99/71/652899971.db2.gz CKFMGWIAZHWXHF-UHFFFAOYSA-N 1 0 393.285 2.181 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638653024 652900972 /nfs/dbraw/zinc/90/09/72/652900972.db2.gz VJOKSCYLYNLBHM-GXSJLCMTSA-N 1 0 389.315 2.031 20 0 GEADRO Cc1c(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000638648156 652901093 /nfs/dbraw/zinc/90/10/93/652901093.db2.gz LBWQWNSKOCIRQK-MFKMUULPSA-N 1 0 378.274 2.209 20 0 GEADRO O=C(Cc1ccccc1I)N1CCN(CCCF)CC1 ZINC000600076992 652901783 /nfs/dbraw/zinc/90/17/83/652901783.db2.gz SZPHDIJBGFLHPO-UHFFFAOYSA-N 1 0 390.240 2.338 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000674583528 652905387 /nfs/dbraw/zinc/90/53/87/652905387.db2.gz UNSJJRZJCZMWAI-NSHDSACASA-N 1 0 384.249 2.127 20 0 GEADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)Cn2cncn2)CC1 ZINC000638754661 652906898 /nfs/dbraw/zinc/90/68/98/652906898.db2.gz VTUQCLXDYNHFLW-UHFFFAOYSA-N 1 0 392.301 2.164 20 0 GEADRO [NH3+][C@H]1CCCCCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000638832764 652908506 /nfs/dbraw/zinc/90/85/06/652908506.db2.gz KKZFMNYPAKBUKO-AWEZNQCLSA-N 1 0 385.555 2.266 20 0 GEADRO Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000638838852 652908790 /nfs/dbraw/zinc/90/87/90/652908790.db2.gz QNNYDQGVSQUSFL-IUODEOHRSA-N 1 0 379.309 2.402 20 0 GEADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842319 652909445 /nfs/dbraw/zinc/90/94/45/652909445.db2.gz OOTWVIRJMPJSLK-XJKSGUPXSA-N 1 0 395.297 2.208 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000600260802 652910798 /nfs/dbraw/zinc/91/07/98/652910798.db2.gz FRFUDJZLZPAYFV-CQSZACIVSA-N 1 0 394.313 2.356 20 0 GEADRO CC(C)Oc1cc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)ccc1Br ZINC000638973370 652915151 /nfs/dbraw/zinc/91/51/51/652915151.db2.gz LJZLHDGOCGAGDF-ZDUSSCGKSA-N 1 0 384.274 2.043 20 0 GEADRO COC(=O)[C@@]1(NC(=O)C[N@H+](C)C(C)C)CCc2cc(Br)ccc2C1 ZINC000600355221 652915108 /nfs/dbraw/zinc/91/51/08/652915108.db2.gz FJKVASDRRHPOHX-GOSISDBHSA-N 1 0 397.313 2.306 20 0 GEADRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000639019301 652915842 /nfs/dbraw/zinc/91/58/42/652915842.db2.gz AAJYINDNLKARJB-CYBMUJFWSA-N 1 0 378.881 2.278 20 0 GEADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000639026848 652916225 /nfs/dbraw/zinc/91/62/25/652916225.db2.gz OVARIEAOFZPTPJ-YDHLFZDLSA-N 1 0 380.286 2.188 20 0 GEADRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)COc2ccc(Br)cn2)C1 ZINC000639027711 652916229 /nfs/dbraw/zinc/91/62/29/652916229.db2.gz PZKOZLYGKOSORG-GFCCVEGCSA-N 1 0 376.254 2.387 20 0 GEADRO CCN(CCO)CC[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639055220 652917725 /nfs/dbraw/zinc/91/77/25/652917725.db2.gz VRMOJNCMJJEIHJ-MSOLQXFVSA-N 1 0 384.362 2.488 20 0 GEADRO COC[C@H]1CCCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639054082 652917771 /nfs/dbraw/zinc/91/77/71/652917771.db2.gz RCXZEGPUUOAWKL-ZDUSSCGKSA-N 1 0 391.331 2.345 20 0 GEADRO CN(C(=O)CCNC(=O)c1ccc(Br)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000600512952 652920936 /nfs/dbraw/zinc/92/09/36/652920936.db2.gz XIKDXCPQNCHVMI-MRXNPFEDSA-N 1 0 394.313 2.122 20 0 GEADRO CC(C)[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCOC1 ZINC000639197613 652926261 /nfs/dbraw/zinc/92/62/61/652926261.db2.gz WYFGEHXYERCJNF-LBPRGKRZSA-N 1 0 377.304 2.096 20 0 GEADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1Cl ZINC000639198343 652926833 /nfs/dbraw/zinc/92/68/33/652926833.db2.gz PNJOFJDVADRFQB-SFHVURJKSA-N 1 0 380.897 2.123 20 0 GEADRO O[C@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000639201274 652927070 /nfs/dbraw/zinc/92/70/70/652927070.db2.gz HMHVQZDBVGBULO-ZYHUDNBSSA-N 1 0 379.180 2.427 20 0 GEADRO CO[C@@H](CNc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@H]1CCOC1 ZINC000639241367 652927533 /nfs/dbraw/zinc/92/75/33/652927533.db2.gz JVRKIIOJPVWBME-WFASDCNBSA-N 1 0 386.290 2.144 20 0 GEADRO COc1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)sn1 ZINC000639242534 652927989 /nfs/dbraw/zinc/92/79/89/652927989.db2.gz STFDYSZFOHSOSP-UHFFFAOYSA-N 1 0 385.287 2.758 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1Cl ZINC000639254628 652928519 /nfs/dbraw/zinc/92/85/19/652928519.db2.gz YZFLJJMEPDTLCW-CZUORRHYSA-N 1 0 381.885 2.392 20 0 GEADRO CCn1ncnc1C[NH2+]C[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000639252114 652928761 /nfs/dbraw/zinc/92/87/61/652928761.db2.gz MVRAQYOGFVTQFD-ZDUSSCGKSA-N 1 0 383.290 2.010 20 0 GEADRO CCOc1cc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc(Br)c1O ZINC000639365701 652934211 /nfs/dbraw/zinc/93/42/11/652934211.db2.gz RLWBQMLXXSNDQJ-IAGOWNOFSA-N 1 0 397.269 2.038 20 0 GEADRO C[C@]12C[N@H+](CC3=Cc4cc(Br)ccc4OC3)C[C@@]1(C)C(=O)NC2=O ZINC000639367180 652935141 /nfs/dbraw/zinc/93/51/41/652935141.db2.gz IIIBKOBQYXHEKO-HDICACEKSA-N 1 0 391.265 2.210 20 0 GEADRO [NH3+][C@H](c1cn(-c2cccc(I)c2)nn1)C1CCOCC1 ZINC000600966371 652946640 /nfs/dbraw/zinc/94/66/40/652946640.db2.gz FVVPWTANDGLUEG-AWEZNQCLSA-N 1 0 384.221 2.298 20 0 GEADRO C[C@@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)Oc1cccc(Br)c1 ZINC000675911134 652946879 /nfs/dbraw/zinc/94/68/79/652946879.db2.gz MKPQUWCNTHOILU-LBPRGKRZSA-N 1 0 391.331 2.230 20 0 GEADRO C[C@H](NC(=O)CN1CCC[C@](O)(C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000639766881 652952615 /nfs/dbraw/zinc/95/26/15/652952615.db2.gz RVQHDXAZRNOLGS-KSSFIOAISA-N 1 0 398.345 2.015 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+]Cc1cccc(Br)c1Cl ZINC000601136238 652955850 /nfs/dbraw/zinc/95/58/50/652955850.db2.gz YSTGRCZKTFGXHK-UHFFFAOYSA-N 1 0 377.666 2.262 20 0 GEADRO Nc1nnc([C@H]2CCC[N@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)o1 ZINC000639820077 652957099 /nfs/dbraw/zinc/95/70/99/652957099.db2.gz MXUHHGJGGCHWDJ-GWCFXTLKSA-N 1 0 387.267 2.578 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NCCC[NH+](C)C ZINC000601208489 653083260 /nfs/dbraw/zinc/08/32/60/653083260.db2.gz PFLAURPAFNGSTK-UHFFFAOYSA-N 1 0 399.333 2.049 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000601300475 653085482 /nfs/dbraw/zinc/08/54/82/653085482.db2.gz ZVBMCXFOAWFRHE-RVBZMBCESA-N 1 0 387.249 2.231 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3c(F)cncc3Br)C2)CC1 ZINC000601312539 653086187 /nfs/dbraw/zinc/08/61/87/653086187.db2.gz MCYAGTRQHYTOTG-CYBMUJFWSA-N 1 0 399.308 2.224 20 0 GEADRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccccc1I ZINC000601335366 653086811 /nfs/dbraw/zinc/08/68/11/653086811.db2.gz SRCIFJNJPDZMEL-IUODEOHRSA-N 1 0 399.276 2.304 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000639918701 653088794 /nfs/dbraw/zinc/08/87/94/653088794.db2.gz MQXFZUQBBSUSJJ-WFASDCNBSA-N 1 0 380.432 2.000 20 0 GEADRO C[C@]12C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@]1(C)C(=O)NC2=O ZINC000639951527 653089464 /nfs/dbraw/zinc/08/94/64/653089464.db2.gz FPMQFOPQGIMLAC-IAGOWNOFSA-N 1 0 384.263 2.307 20 0 GEADRO COc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ncc1Br ZINC000639967474 653091388 /nfs/dbraw/zinc/09/13/88/653091388.db2.gz NAWAYXWXHXMXQB-LBPRGKRZSA-N 1 0 399.289 2.039 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)c(Br)c1 ZINC000676272721 653093633 /nfs/dbraw/zinc/09/36/33/653093633.db2.gz ILAMZAJNEIXFOR-LLVKDONJSA-N 1 0 382.302 2.462 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)c(Br)c1 ZINC000676272727 653093824 /nfs/dbraw/zinc/09/38/24/653093824.db2.gz ILAMZAJNEIXFOR-NSHDSACASA-N 1 0 382.302 2.462 20 0 GEADRO O=C(CC[NH+]1CCN([C@H]2CCOC2)CC1)Nc1cccc(Br)c1 ZINC000676317929 653094471 /nfs/dbraw/zinc/09/44/71/653094471.db2.gz PJTYRELJFAIOSL-INIZCTEOSA-N 1 0 382.302 2.184 20 0 GEADRO O=S1(=O)CCC(O)(C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000767873143 653094706 /nfs/dbraw/zinc/09/47/06/653094706.db2.gz AIYXPPVYPKOYCU-CQSZACIVSA-N 1 0 377.428 2.434 20 0 GEADRO CN1CCN(C(=O)C[N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000640059652 653094752 /nfs/dbraw/zinc/09/47/52/653094752.db2.gz VCIOMMDDZIBRDQ-UHFFFAOYSA-N 1 0 387.311 2.028 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000767906798 653095320 /nfs/dbraw/zinc/09/53/20/653095320.db2.gz MJCCGBILHQQXSQ-UHFFFAOYSA-N 1 0 377.670 2.076 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)c1Br ZINC000640134175 653096749 /nfs/dbraw/zinc/09/67/49/653096749.db2.gz WMRPUIQACIULJM-UHFFFAOYSA-N 1 0 383.290 2.367 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000771345966 653105538 /nfs/dbraw/zinc/10/55/38/653105538.db2.gz XUVPGMJHMPNOFG-BZUAXINKSA-N 1 0 386.631 2.081 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768244538 653106942 /nfs/dbraw/zinc/10/69/42/653106942.db2.gz QNBAYTRMPYTLRU-GJZGRUSLSA-N 1 0 388.965 2.121 20 0 GEADRO C[C@@H](NC(=O)c1cc(Cn2cc(Br)cn2)on1)C1CC[NH+](C)CC1 ZINC000676884916 653112775 /nfs/dbraw/zinc/11/27/75/653112775.db2.gz XPRANTFTKHSOFH-LLVKDONJSA-N 1 0 396.289 2.142 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2nn(C)cc2Br)C1 ZINC000640308281 653113277 /nfs/dbraw/zinc/11/32/77/653113277.db2.gz NMLXHYSIMFZPBV-CHWSQXEVSA-N 1 0 386.338 3.062 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2CN2c3cc(Br)ccc3C(=O)C2=O)C1 ZINC000768502272 653114579 /nfs/dbraw/zinc/11/45/79/653114579.db2.gz MMJVIAQMIRZXIT-DOMZBBRYSA-N 1 0 392.297 2.352 20 0 GEADRO CN(C(=O)Nc1nn(C)cc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000640312273 653116158 /nfs/dbraw/zinc/11/61/58/653116158.db2.gz YMTFEOAUFKFVAN-CQSZACIVSA-N 1 0 392.301 2.921 20 0 GEADRO Cn1cc(Br)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000640312310 653116187 /nfs/dbraw/zinc/11/61/87/653116187.db2.gz ZLUFVQVCWXUASI-BXUZGUMPSA-N 1 0 382.306 2.663 20 0 GEADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1nn(C)cc1Br)c1ccco1 ZINC000640314999 653118143 /nfs/dbraw/zinc/11/81/43/653118143.db2.gz LGJUPMCUBYYKHG-PWSUYJOCSA-N 1 0 384.278 3.027 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(Cl)c(F)cc1Br ZINC000640320753 653120487 /nfs/dbraw/zinc/12/04/87/653120487.db2.gz WAIYYYRNYXJIRS-SECBINFHSA-N 1 0 379.657 2.428 20 0 GEADRO Cc1cc2c(cc1NC(=O)NC[C@]1([NH+](C)C)CCSC1)sc(=O)n2C ZINC000640354036 653122099 /nfs/dbraw/zinc/12/20/99/653122099.db2.gz WDKIIHXAHLEFIC-QGZVFWFLSA-N 1 0 380.539 2.467 20 0 GEADRO C[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1ccc(I)cc1 ZINC000771798340 653127101 /nfs/dbraw/zinc/12/71/01/653127101.db2.gz GFGCQSWFIAZHEC-HZMBPMFUSA-N 1 0 388.249 2.369 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]Cc2nc3c(s2)CCC3)CC1)C(F)(F)F ZINC000771835707 653129097 /nfs/dbraw/zinc/12/90/97/653129097.db2.gz VERKUWXQKANSAB-UHFFFAOYSA-N 1 0 383.461 2.283 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000678237821 653130194 /nfs/dbraw/zinc/13/01/94/653130194.db2.gz LSYOJZGKXKLYPC-HZPDHXFCSA-N 1 0 397.313 2.251 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000771888483 653131228 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CNS(=O)(=O)c1csc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000769113590 653143526 /nfs/dbraw/zinc/14/35/26/653143526.db2.gz KQSJCLMIEFMLOP-UHFFFAOYSA-N 1 0 386.470 2.084 20 0 GEADRO O=C(Cn1cc(C[C@H]2CC[NH2+]C2)nn1)Nc1ccc(Br)cc1Cl ZINC000640896315 653145094 /nfs/dbraw/zinc/14/50/94/653145094.db2.gz XCSNGIMWZNSHPE-SNVBAGLBSA-N 1 0 398.692 2.485 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000679402828 653146461 /nfs/dbraw/zinc/14/64/61/653146461.db2.gz NJEXQTMCAJCSOY-UHFFFAOYSA-N 1 0 394.269 2.341 20 0 GEADRO O=C(Cn1cc(C2CC[NH2+]CC2)nn1)NCCc1cccc(Cl)c1Cl ZINC000640982847 653148648 /nfs/dbraw/zinc/14/86/48/653148648.db2.gz MHDYJQZFLDTIOA-UHFFFAOYSA-N 1 0 382.295 2.411 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc4[nH]cc(I)c4c3)C[C@H]2C1 ZINC000602139105 653150204 /nfs/dbraw/zinc/15/02/04/653150204.db2.gz CXORFZABXZWBMN-TXEJJXNPSA-N 1 0 395.244 2.406 20 0 GEADRO Cn1nnnc1CC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000772467071 653151122 /nfs/dbraw/zinc/15/11/22/653151122.db2.gz 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C[NH+](C)C1(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCC1 ZINC000773657095 653210752 /nfs/dbraw/zinc/21/07/52/653210752.db2.gz JNJAHPSVRZVRKM-CQSZACIVSA-N 1 0 380.286 2.155 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000602892739 653213215 /nfs/dbraw/zinc/21/32/15/653213215.db2.gz SIVUTBAZZGNIJU-HJPURHCSSA-N 1 0 379.353 2.490 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Br)c(Cl)c2)C1 ZINC000682494584 653214863 /nfs/dbraw/zinc/21/48/63/653214863.db2.gz GNSVGOVESOQQLQ-LBPRGKRZSA-N 1 0 375.694 2.482 20 0 GEADRO C[C@]12C[NH+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C[C@]1(C)C(=O)NC2=O ZINC000602937138 653216242 /nfs/dbraw/zinc/21/62/42/653216242.db2.gz RAFJZHZBBWHTBW-DQIAKBPPSA-N 1 0 389.304 2.086 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCc2cc(Br)c(Cl)cc21 ZINC000682570566 653217943 /nfs/dbraw/zinc/21/79/43/653217943.db2.gz YACZBVSPHJIICV-HNNXBMFYSA-N 1 0 384.705 2.382 20 0 GEADRO COC(=O)C[C@]1([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCCOC1 ZINC000770696268 653221156 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CC1(C)CN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[N@@H+]1CCO ZINC000682776379 653223192 /nfs/dbraw/zinc/22/31/92/653223192.db2.gz LBRXHWALHBXRBX-INIZCTEOSA-N 1 0 386.323 2.487 20 0 GEADRO CSC1(CNC(=O)Nc2cccc(F)c2S(C)(=O)=O)CC[NH+](C)CC1 ZINC000603042654 653223558 /nfs/dbraw/zinc/22/35/58/653223558.db2.gz NYXVSPLNSLWRLT-UHFFFAOYSA-N 1 0 389.518 2.178 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(Br)n1 ZINC000774100397 653224586 /nfs/dbraw/zinc/22/45/86/653224586.db2.gz LKMUVGKNKSJJMQ-STQMWFEESA-N 1 0 397.317 2.470 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1C(F)F ZINC000641623565 653224655 /nfs/dbraw/zinc/22/46/55/653224655.db2.gz JAABINJIGMEIJX-YPMHNXCESA-N 1 0 378.489 2.407 20 0 GEADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000641623443 653224679 /nfs/dbraw/zinc/22/46/79/653224679.db2.gz KKVDEQZHSGRLPA-YPMHNXCESA-N 1 0 382.452 2.180 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c(Br)n1 ZINC000774152221 653226789 /nfs/dbraw/zinc/22/67/89/653226789.db2.gz GMCWDOMVVKLWNM-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000641646688 653227436 /nfs/dbraw/zinc/22/74/36/653227436.db2.gz ATTLUPDVQCUVDY-UHFFFAOYSA-N 1 0 379.448 2.011 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000683156914 653228599 /nfs/dbraw/zinc/22/85/99/653228599.db2.gz KLRYWRMMSXXMBJ-LBPRGKRZSA-N 1 0 376.320 2.109 20 0 GEADRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000808424811 653229260 /nfs/dbraw/zinc/22/92/60/653229260.db2.gz YROGVARDYRACAF-OAHLLOKOSA-N 1 0 390.347 2.118 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000774226476 653230003 /nfs/dbraw/zinc/23/00/03/653230003.db2.gz KUPUDISYEFSVML-OAHLLOKOSA-N 1 0 385.599 2.209 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnc(Br)cc1C ZINC000774237315 653230237 /nfs/dbraw/zinc/23/02/37/653230237.db2.gz RTYIICNKWOGKQF-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](CO)CC(C)C ZINC000641709823 653232020 /nfs/dbraw/zinc/23/20/20/653232020.db2.gz IPUJULCFOFOMCB-WFASDCNBSA-N 1 0 387.318 2.459 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccncc2N)cc1Br ZINC000641758780 653233165 /nfs/dbraw/zinc/23/31/65/653233165.db2.gz VEYAQEDCNFMIBE-ZDUSSCGKSA-N 1 0 380.286 2.376 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCS(=O)(=O)C(C)C ZINC000808726103 653234302 /nfs/dbraw/zinc/23/43/02/653234302.db2.gz PMVXPODACDZWHP-LBPRGKRZSA-N 1 0 376.906 2.479 20 0 GEADRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]1C ZINC000641809094 653234231 /nfs/dbraw/zinc/23/42/31/653234231.db2.gz PMGHWEGQLJZQEP-TYNCELHUSA-N 1 0 379.302 2.405 20 0 GEADRO Brc1cccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000641789578 653234343 /nfs/dbraw/zinc/23/43/43/653234343.db2.gz LKXQWKQDWNMMCR-SFHVURJKSA-N 1 0 382.346 2.335 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000774339232 653235049 /nfs/dbraw/zinc/23/50/49/653235049.db2.gz FODTXULJHSJVND-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO [NH3+]C/C=C/CNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000641866838 653235407 /nfs/dbraw/zinc/23/54/07/653235407.db2.gz JXOXKIFHFNVASX-ISUDXETCSA-N 1 0 396.207 2.315 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000642000310 653236623 /nfs/dbraw/zinc/23/66/23/653236623.db2.gz GRMMXNDIVLCLGP-CZUORRHYSA-N 1 0 394.313 2.403 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)ncc1Br ZINC000683664403 653237492 /nfs/dbraw/zinc/23/74/92/653237492.db2.gz SZNRBPSTTNLGTC-LBPRGKRZSA-N 1 0 383.290 2.080 20 0 GEADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000774544823 653240977 /nfs/dbraw/zinc/24/09/77/653240977.db2.gz NIDQOYRDSFDMGC-CQSZACIVSA-N 1 0 384.307 2.077 20 0 GEADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000642335167 653242742 /nfs/dbraw/zinc/24/27/42/653242742.db2.gz MVJJXDPASGDTRO-UHFFFAOYSA-N 1 0 379.448 2.011 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC[NH2+]1 ZINC000642408043 653246515 /nfs/dbraw/zinc/24/65/15/653246515.db2.gz LPYDETQUFZHFBP-CYBMUJFWSA-N 1 0 380.901 2.022 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC[C@H]1[NH3+] ZINC000642408060 653247437 /nfs/dbraw/zinc/24/74/37/653247437.db2.gz NNJABNUPNFQPKM-ZYHUDNBSSA-N 1 0 380.901 2.152 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3cccnc3Br)CC2)CC1 ZINC000874015323 653251962 /nfs/dbraw/zinc/25/19/62/653251962.db2.gz VDYKDOARFVRUNA-UHFFFAOYSA-N 1 0 395.301 2.117 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000809193388 653255842 /nfs/dbraw/zinc/25/58/42/653255842.db2.gz OGIXIGYWMPVHMS-QGZVFWFLSA-N 1 0 398.345 2.095 20 0 GEADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCCSC(F)(F)F)cc21 ZINC000874064351 653256897 /nfs/dbraw/zinc/25/68/97/653256897.db2.gz SHTAEUCOBPUAIM-UHFFFAOYSA-N 1 0 376.404 2.286 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3csc(Br)n3)nc2)CC1 ZINC000874068989 653257895 /nfs/dbraw/zinc/25/78/95/653257895.db2.gz QIWSRAJQHXYWPB-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO C[N@H+](CCOC(=O)c1c(Br)nc2n1CCOC2)Cc1ccccc1 ZINC000856955489 653261832 /nfs/dbraw/zinc/26/18/32/653261832.db2.gz XURCRKCQOLBVIC-UHFFFAOYSA-N 1 0 394.269 2.465 20 0 GEADRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000774830359 653262282 /nfs/dbraw/zinc/26/22/82/653262282.db2.gz CCYZDPFNBROFHK-KCQAQPDRSA-N 1 0 375.922 2.109 20 0 GEADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cccnc1I ZINC000774864501 653264099 /nfs/dbraw/zinc/26/40/99/653264099.db2.gz PRPNRJDBSFKFBN-UHFFFAOYSA-N 1 0 385.249 2.290 20 0 GEADRO CCn1cnnc1CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684554685 653275758 /nfs/dbraw/zinc/27/57/58/653275758.db2.gz NHFPECRAVPXGPN-VIFPVBQESA-N 1 0 392.312 2.146 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(Br)c1 ZINC000874169745 653278088 /nfs/dbraw/zinc/27/80/88/653278088.db2.gz PPUHSFQNZPWHCE-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc(F)c1Br ZINC000874172638 653278762 /nfs/dbraw/zinc/27/87/62/653278762.db2.gz CWQPZFHYTOYNDQ-RISCZKNCSA-N 1 0 398.276 2.388 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874172428 653278876 /nfs/dbraw/zinc/27/88/76/653278876.db2.gz YXTNDXHORBTVJM-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(F)cc1Br ZINC000874174004 653279599 /nfs/dbraw/zinc/27/95/99/653279599.db2.gz JMKCGVJQHMKPCT-XHDPSFHLSA-N 1 0 398.276 2.388 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Br)ccc3F)CC[C@@H]21 ZINC000874172778 653279749 /nfs/dbraw/zinc/27/97/49/653279749.db2.gz KXHKDSOJROJAKW-YGRLFVJLSA-N 1 0 384.249 2.079 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3nc(-c4cccs4)cs3)CC[C@@H]21 ZINC000874174012 653279969 /nfs/dbraw/zinc/27/99/69/653279969.db2.gz PSWHEDYJQLGROC-AAEUAGOBSA-N 1 0 376.507 2.363 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1F ZINC000874177091 653281597 /nfs/dbraw/zinc/28/15/97/653281597.db2.gz YEJLKEPVPGSIBL-FZMZJTMJSA-N 1 0 398.276 2.388 20 0 GEADRO Cc1cc(Br)cc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000775016924 653282159 /nfs/dbraw/zinc/28/21/59/653282159.db2.gz OTJXGULQFNERLT-UHFFFAOYSA-N 1 0 394.317 2.244 20 0 GEADRO O=C(c1c(Br)nc2n1CCOC2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000857124394 653287137 /nfs/dbraw/zinc/28/71/37/653287137.db2.gz XZWXFLPTSDYEKE-ZDUSSCGKSA-N 1 0 397.317 2.266 20 0 GEADRO O=C(c1c(Br)nc2n1CCOC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000857130031 653287213 /nfs/dbraw/zinc/28/72/13/653287213.db2.gz NRFXZDXEOPYVOQ-ZDUSSCGKSA-N 1 0 397.317 2.266 20 0 GEADRO O=C(c1c(Br)nc2n1CCOC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000857141928 653289448 /nfs/dbraw/zinc/28/94/48/653289448.db2.gz ZLXGCSXOIRRTCV-ZDUSSCGKSA-N 1 0 397.317 2.124 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000857140767 653289494 /nfs/dbraw/zinc/28/94/94/653289494.db2.gz MCVOKDXSLYFOGN-UHFFFAOYSA-N 1 0 385.306 2.028 20 0 GEADRO C[NH+](C)CCN(C(=O)c1c(Br)nc2n1CCOC2)C1CCCC1 ZINC000857154527 653291437 /nfs/dbraw/zinc/29/14/37/653291437.db2.gz HODJSGSRUBEGCS-UHFFFAOYSA-N 1 0 385.306 2.122 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775162402 653295552 /nfs/dbraw/zinc/29/55/52/653295552.db2.gz KAPVIAOTOFDJCT-ZDUSSCGKSA-N 1 0 390.286 2.026 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)[NH+]1CCC(C)CC1 ZINC000775170980 653299305 /nfs/dbraw/zinc/29/93/05/653299305.db2.gz WHGQZVMGPDQXME-ZIAGYGMSSA-N 1 0 378.344 2.169 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000874268658 653299555 /nfs/dbraw/zinc/29/95/55/653299555.db2.gz QLPNJVKYOLARTN-JTQLQIEISA-N 1 0 380.388 2.269 20 0 GEADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)c1 ZINC000775181063 653301236 /nfs/dbraw/zinc/30/12/36/653301236.db2.gz JABSQRITYDCKFT-OAHLLOKOSA-N 1 0 386.323 2.455 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c(Cl)cc1Cl ZINC000857233822 653301360 /nfs/dbraw/zinc/30/13/60/653301360.db2.gz FUPALKXTASPVIB-BJOHPYRUSA-N 1 0 393.292 2.282 20 0 GEADRO C[C@H](C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO)[NH+](C)C ZINC000874312801 653306581 /nfs/dbraw/zinc/30/65/81/653306581.db2.gz JJTTUWIDOVOMRM-LLVKDONJSA-N 1 0 381.274 2.194 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000809884858 653312282 /nfs/dbraw/zinc/31/22/82/653312282.db2.gz XMSDBMZXWJOMGS-CYBMUJFWSA-N 1 0 396.329 2.180 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)ccc1Br ZINC000874362741 653312445 /nfs/dbraw/zinc/31/24/45/653312445.db2.gz CSXPTNLXEVPFLS-HUUCEWRRSA-N 1 0 380.286 2.391 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000874364124 653312943 /nfs/dbraw/zinc/31/29/43/653312943.db2.gz FFLDLTJSKGFODH-KGLIPLIRSA-N 1 0 384.249 2.222 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000685888475 653315634 /nfs/dbraw/zinc/31/56/34/653315634.db2.gz YLWLZNOUMKKTBJ-CYBMUJFWSA-N 1 0 384.318 2.416 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C[C@H]1C ZINC000775535057 653316285 /nfs/dbraw/zinc/31/62/85/653316285.db2.gz FQEOKLQCHQUVNR-MNOVXSKESA-N 1 0 391.896 2.071 20 0 GEADRO CCn1ncc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1Br ZINC000874386946 653316511 /nfs/dbraw/zinc/31/65/11/653316511.db2.gz IBWMATADNFXAHW-UHFFFAOYSA-N 1 0 385.306 2.040 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N(C)C[C@H](C)[NH3+] ZINC000700972840 653318713 /nfs/dbraw/zinc/31/87/13/653318713.db2.gz CSIFKLUZYIYEDF-ZETCQYMHSA-N 1 0 382.629 2.372 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C(F)(F)F ZINC000810044837 653318806 /nfs/dbraw/zinc/31/88/06/653318806.db2.gz QSZGPZPZKQAOND-STQMWFEESA-N 1 0 378.416 2.155 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)c3csc(Br)n3)CC2)CC1 ZINC000874449982 653319789 /nfs/dbraw/zinc/31/97/89/653319789.db2.gz KRJRWBPZDYRAKO-UHFFFAOYSA-N 1 0 387.347 2.005 20 0 GEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1csc(Br)n1 ZINC000874469051 653321910 /nfs/dbraw/zinc/32/19/10/653321910.db2.gz ZJMSNSABXRLLQV-UHFFFAOYSA-N 1 0 375.336 2.004 20 0 GEADRO CSC1(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC[NH+](C)CC1 ZINC000810084255 653322500 /nfs/dbraw/zinc/32/25/00/653322500.db2.gz WMPJBLNKXWMDCJ-UHFFFAOYSA-N 1 0 384.354 2.494 20 0 GEADRO CC[C@H](CNC(=O)c1c(Br)nnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000810091295 653324011 /nfs/dbraw/zinc/32/40/11/653324011.db2.gz OAFDJIBANPFHQX-CQSZACIVSA-N 1 0 392.301 2.144 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000810180643 653329337 /nfs/dbraw/zinc/32/93/37/653329337.db2.gz FKYIUHXOJQDOFT-DZGCQCFKSA-N 1 0 390.981 2.415 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)nc1 ZINC000810241115 653332198 /nfs/dbraw/zinc/33/21/98/653332198.db2.gz NBHZAYUUMMDUEY-YPMHNXCESA-N 1 0 376.320 2.309 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)c(Br)n1 ZINC000836126396 653332861 /nfs/dbraw/zinc/33/28/61/653332861.db2.gz JUBJMVQFNVNNHL-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000776047207 653336041 /nfs/dbraw/zinc/33/60/41/653336041.db2.gz CUDDCEGTTJUWEE-LBPRGKRZSA-N 1 0 384.322 2.158 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000874824592 653338201 /nfs/dbraw/zinc/33/82/01/653338201.db2.gz VJVKWGMBVABBMX-GJZGRUSLSA-N 1 0 391.269 2.218 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c(-c2ccccc2)nc2sccn21 ZINC000836228709 653339474 /nfs/dbraw/zinc/33/94/74/653339474.db2.gz QKTJCTQOEQZRFE-CQSZACIVSA-N 1 0 378.523 2.480 20 0 GEADRO Cn1nnc(Br)c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000810436821 653339597 /nfs/dbraw/zinc/33/95/97/653339597.db2.gz TTXRKXJELUSTTQ-CMPLNLGQSA-N 1 0 398.330 2.452 20 0 GEADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)CCn2ccnn2)C1 ZINC000857880308 653341373 /nfs/dbraw/zinc/34/13/73/653341373.db2.gz GHLXFKQXQJYRDK-HNNXBMFYSA-N 1 0 392.301 2.340 20 0 GEADRO CC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857882045 653341920 /nfs/dbraw/zinc/34/19/20/653341920.db2.gz FHUMAPJLZZQBMT-ABAIWWIYSA-N 1 0 382.302 2.183 20 0 GEADRO O=C(NC[C@@H](O)c1ccccc1Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000836316682 653344231 /nfs/dbraw/zinc/34/42/31/653344231.db2.gz UGQPLFYTLNJWRO-XJKSGUPXSA-N 1 0 382.302 2.266 20 0 GEADRO CC1(C)CC(NC(=O)C(=O)NCCSCCC(F)(F)F)CC(C)(C)[NH2+]1 ZINC000874976490 653344976 /nfs/dbraw/zinc/34/49/76/653344976.db2.gz FCHVGFDHCURBMS-UHFFFAOYSA-N 1 0 383.480 2.214 20 0 GEADRO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000875001270 653346485 /nfs/dbraw/zinc/34/64/85/653346485.db2.gz MXZSJFGXQPJLLO-CYBMUJFWSA-N 1 0 376.328 2.163 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)NC[C@]2(C)CC2(Cl)Cl)ccn1 ZINC000836378649 653349157 /nfs/dbraw/zinc/34/91/57/653349157.db2.gz JTJRFMXHYKHYGF-HNNXBMFYSA-N 1 0 375.300 2.405 20 0 GEADRO Cn1cc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c(Br)n1 ZINC000858155832 653351268 /nfs/dbraw/zinc/35/12/68/653351268.db2.gz PAQBSSDBEAFWFE-NSHDSACASA-N 1 0 385.693 2.270 20 0 GEADRO COC[C@@]1(C[NH2+]Cc2cn(C)nc2Br)OCCc2ccccc21 ZINC000858164900 653352149 /nfs/dbraw/zinc/35/21/49/653352149.db2.gz HROLGYPRYUGJGX-QGZVFWFLSA-N 1 0 380.286 2.387 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000875132473 653354170 /nfs/dbraw/zinc/35/41/70/653354170.db2.gz QVQFRCAXQBBCFV-BJJXKVORSA-N 1 0 394.313 2.179 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C1 ZINC000875135426 653354179 /nfs/dbraw/zinc/35/41/79/653354179.db2.gz XWWUXAJCIMIZIT-BZUAXINKSA-N 1 0 382.302 2.361 20 0 GEADRO C[NH+]1CCN(CCNC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000858215934 653354924 /nfs/dbraw/zinc/35/49/24/653354924.db2.gz CRICOULERDAWGB-MRXNPFEDSA-N 1 0 388.339 2.417 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ncc(Cl)s2)C1 ZINC000875198667 653357561 /nfs/dbraw/zinc/35/75/61/653357561.db2.gz SPKAIAIIRDLKCY-LBPRGKRZSA-N 1 0 386.949 2.430 20 0 GEADRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000810848724 653361776 /nfs/dbraw/zinc/36/17/76/653361776.db2.gz WDTOWAUJNJTBGI-RRFJBIMHSA-N 1 0 384.523 2.071 20 0 GEADRO O=S(=O)(c1ccc(CCNc2cc[nH+]c(CO)c2)s1)N1CCCCC1 ZINC000858426069 653363394 /nfs/dbraw/zinc/36/33/94/653363394.db2.gz QRWJEQWZWWLAJG-UHFFFAOYSA-N 1 0 381.523 2.465 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)nc1 ZINC000858490247 653365816 /nfs/dbraw/zinc/36/58/16/653365816.db2.gz WJWVJIQGNARIEW-YPMHNXCESA-N 1 0 388.273 2.211 20 0 GEADRO O=Cc1cnc2c(Br)cc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn12 ZINC000858561352 653367637 /nfs/dbraw/zinc/36/76/37/653367637.db2.gz PUYRMDILRFJDKY-QWHCGFSZSA-N 1 0 391.269 2.266 20 0 GEADRO Cc1c(Br)nccc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000836675405 653367943 /nfs/dbraw/zinc/36/79/43/653367943.db2.gz CLXVZVUFIQMRTK-LBPRGKRZSA-N 1 0 384.322 2.158 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000836680325 653368721 /nfs/dbraw/zinc/36/87/21/653368721.db2.gz ONIYZNUXGBSYMU-LBPRGKRZSA-N 1 0 384.322 2.300 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000858606967 653369100 /nfs/dbraw/zinc/36/91/00/653369100.db2.gz RSKRDEOVSXYOMS-WDEREUQCSA-N 1 0 375.878 2.185 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000836682840 653369143 /nfs/dbraw/zinc/36/91/43/653369143.db2.gz VQSVHCQKAHKZIF-CYBMUJFWSA-N 1 0 383.290 2.339 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000858612208 653369757 /nfs/dbraw/zinc/36/97/57/653369757.db2.gz ZRPMSVJDBNDVFT-HNNXBMFYSA-N 1 0 375.878 2.186 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cc1Cl ZINC000858610891 653369801 /nfs/dbraw/zinc/36/98/01/653369801.db2.gz ISSKBPUZWCYYKF-UHFFFAOYSA-N 1 0 375.878 2.186 20 0 GEADRO O=C(Nc1nc(CC(F)(F)F)cs1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000836703093 653371706 /nfs/dbraw/zinc/37/17/06/653371706.db2.gz AIUVKOAAHHPDMI-VXGBXAGGSA-N 1 0 378.420 2.311 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(Cl)cc1Cl ZINC000858631544 653372502 /nfs/dbraw/zinc/37/25/02/653372502.db2.gz FVPDUIOLJYEYKG-BDAKNGLRSA-N 1 0 381.281 2.199 20 0 GEADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000858641144 653372823 /nfs/dbraw/zinc/37/28/23/653372823.db2.gz BDTKEHUQKVFCFO-SSDOTTSWSA-N 1 0 375.210 2.436 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000836761573 653375609 /nfs/dbraw/zinc/37/56/09/653375609.db2.gz NSYXZNRYERODGM-CYBMUJFWSA-N 1 0 384.322 2.300 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000836765485 653376146 /nfs/dbraw/zinc/37/61/46/653376146.db2.gz CZBXHYDNDQPANL-LBPRGKRZSA-N 1 0 385.306 2.461 20 0 GEADRO CN(C(=O)c1ccnc(OCC[NH+](C)C)c1)c1cccc(Br)n1 ZINC000875561435 653377102 /nfs/dbraw/zinc/37/71/02/653377102.db2.gz PHFYRPZNNDMXFE-UHFFFAOYSA-N 1 0 379.258 2.456 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000776869724 653380284 /nfs/dbraw/zinc/38/02/84/653380284.db2.gz PPYPEBJBYTYEQJ-LERXQTSPSA-N 1 0 377.254 2.454 20 0 GEADRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(Br)nc1F)C(C)C ZINC000858883487 653382815 /nfs/dbraw/zinc/38/28/15/653382815.db2.gz QGCNJVBOBWSFNY-UHFFFAOYSA-N 1 0 382.299 2.380 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(Br)cc1O ZINC000875690761 653384147 /nfs/dbraw/zinc/38/41/47/653384147.db2.gz BZVMGEAPLOEHTF-RISCZKNCSA-N 1 0 398.301 2.399 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)C1 ZINC000875704140 653384905 /nfs/dbraw/zinc/38/49/05/653384905.db2.gz NSDFPADQYCYPMS-LESCRADOSA-N 1 0 398.345 2.382 20 0 GEADRO C[NH+](C)C1(C(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)CCC1 ZINC000836993757 653393589 /nfs/dbraw/zinc/39/35/89/653393589.db2.gz XRGHGYYCOMSPTL-LBPRGKRZSA-N 1 0 387.293 2.340 20 0 GEADRO Cn1nnc(Br)c1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000811506200 653395252 /nfs/dbraw/zinc/39/52/52/653395252.db2.gz YIIIQXGIDVFIJI-LLVKDONJSA-N 1 0 386.681 2.264 20 0 GEADRO Cn1cc(I)c(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000875887686 653395616 /nfs/dbraw/zinc/39/56/16/653395616.db2.gz CHTKYYMKVOABAS-CYBMUJFWSA-N 1 0 394.232 2.176 20 0 GEADRO O=C(Cc1cccnc1Br)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000837017240 653396011 /nfs/dbraw/zinc/39/60/11/653396011.db2.gz JCHYQIUNOIJQSE-UHFFFAOYSA-N 1 0 396.329 2.348 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC000837064110 653398401 /nfs/dbraw/zinc/39/84/01/653398401.db2.gz FVGWPSAYYHAZPV-ZDUSSCGKSA-N 1 0 399.329 2.209 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000859058218 653399002 /nfs/dbraw/zinc/39/90/02/653399002.db2.gz QNCYSARAORQGQZ-MNOVXSKESA-N 1 0 387.889 2.422 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859071749 653400607 /nfs/dbraw/zinc/40/06/07/653400607.db2.gz QNNLESZDHLRJQA-WDEREUQCSA-N 1 0 392.294 2.088 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2nc(Br)sc2C)CC1 ZINC000837132811 653403326 /nfs/dbraw/zinc/40/33/26/653403326.db2.gz HICIROOGNAWCIJ-UHFFFAOYSA-N 1 0 389.363 2.360 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000859114427 653407802 /nfs/dbraw/zinc/40/78/02/653407802.db2.gz IQIMOKPOHNZOBT-UHFFFAOYSA-N 1 0 383.286 2.492 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(Br)nc1F ZINC000859120673 653408965 /nfs/dbraw/zinc/40/89/65/653408965.db2.gz CYXSNPADOLOESM-QWRGUYRKSA-N 1 0 394.310 2.382 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859121000 653409362 /nfs/dbraw/zinc/40/93/62/653409362.db2.gz PDUDMKKGJHTIMI-LLVKDONJSA-N 1 0 381.420 2.196 20 0 GEADRO COc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)nc1I ZINC000811936733 653412925 /nfs/dbraw/zinc/41/29/25/653412925.db2.gz KPGYPOCPDSNXHO-SNVBAGLBSA-N 1 0 391.253 2.153 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000811929438 653413049 /nfs/dbraw/zinc/41/30/49/653413049.db2.gz HGLIQJVPAGGLPS-CYBMUJFWSA-N 1 0 389.949 2.441 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000859168017 653415600 /nfs/dbraw/zinc/41/56/00/653415600.db2.gz HIYSRWXKKUOYCO-INIZCTEOSA-N 1 0 387.889 2.235 20 0 GEADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)[C@H]2CC2(Cl)Cl)n1 ZINC000876316621 653422404 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396.329 2.256 20 0 GEADRO OCC1([C@@H]([NH2+]C[C@@H](O)c2cc(Br)no2)c2ccncc2)CCC1 ZINC000879008258 653654747 /nfs/dbraw/zinc/65/47/47/653654747.db2.gz QOJNBVPELJAENU-DOMZBBRYSA-N 1 0 382.258 2.359 20 0 GEADRO OCC1([C@H]([NH2+]C[C@@H](O)c2cc(Br)no2)c2ccncc2)CCC1 ZINC000879008259 653654803 /nfs/dbraw/zinc/65/48/03/653654803.db2.gz QOJNBVPELJAENU-IUODEOHRSA-N 1 0 382.258 2.359 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000782078532 653654778 /nfs/dbraw/zinc/65/47/78/653654778.db2.gz RIYPZESUDAQDOJ-LBPRGKRZSA-N 1 0 385.306 2.461 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(Br)cnc1F ZINC000861376410 653655973 /nfs/dbraw/zinc/65/59/73/653655973.db2.gz QQOYHVSQLUTNGF-LLVKDONJSA-N 1 0 386.265 2.309 20 0 GEADRO NC(=O)[C@@H](F)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000879049708 653656742 /nfs/dbraw/zinc/65/67/42/653656742.db2.gz HVRUCUOEZNPCTL-ABAIWWIYSA-N 1 0 379.259 2.269 20 0 GEADRO CSCCCCCCNC(=S)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000782208620 653657101 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653711079 /nfs/dbraw/zinc/71/10/79/653711079.db2.gz OLJTVIHQAQVVMV-INIZCTEOSA-N 1 0 393.329 2.429 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841232256 653711399 /nfs/dbraw/zinc/71/13/99/653711399.db2.gz VBRCYPFYMXBELP-ZJUUUORDSA-N 1 0 376.309 2.374 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000785578924 653712648 /nfs/dbraw/zinc/71/26/48/653712648.db2.gz BSUJJQZBFYZBSZ-GFCCVEGCSA-N 1 0 398.301 2.377 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc2s1 ZINC000841275533 653712976 /nfs/dbraw/zinc/71/29/76/653712976.db2.gz DGYZRHATKXVSNC-WDEREUQCSA-N 1 0 378.523 2.400 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880802906 653714655 /nfs/dbraw/zinc/71/46/55/653714655.db2.gz VRRWSBFVPTXALX-LBPRGKRZSA-N 1 0 397.317 2.141 20 0 GEADRO CC(C)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)ONC(=O)OC(C)(C)C ZINC000817613280 653715477 /nfs/dbraw/zinc/71/54/77/653715477.db2.gz DQCGPUNQKQOOAF-UONOGXRCSA-N 1 0 375.535 2.021 20 0 GEADRO CC(C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)ONC(=O)OC(C)(C)C ZINC000817613278 653715587 /nfs/dbraw/zinc/71/55/87/653715587.db2.gz DQCGPUNQKQOOAF-KGLIPLIRSA-N 1 0 375.535 2.021 20 0 GEADRO CCOC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000863576047 653715956 /nfs/dbraw/zinc/71/59/56/653715956.db2.gz MSSGFYNOTQGXAZ-CABCVRRESA-N 1 0 384.270 2.430 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)c4cc(Br)ccc4o3)[C@@H]2C1 ZINC000841438877 653717194 /nfs/dbraw/zinc/71/71/94/653717194.db2.gz VPOPCCIQOZMUKI-GXFFZTMASA-N 1 0 377.238 2.332 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000841456475 653717701 /nfs/dbraw/zinc/71/77/01/653717701.db2.gz HOODURDDJRMMNC-GHMZBOCLSA-N 1 0 379.810 2.210 20 0 GEADRO CCc1ccc(Br)c(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000880954997 653717918 /nfs/dbraw/zinc/71/79/18/653717918.db2.gz NCBJDSMLJLLGRC-HNNXBMFYSA-N 1 0 397.317 2.473 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c(F)cc1Cl ZINC000841476621 653718787 /nfs/dbraw/zinc/71/87/87/653718787.db2.gz BNPBEXIGGWVCAM-NSHDSACASA-N 1 0 392.880 2.418 20 0 GEADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863751081 653719491 /nfs/dbraw/zinc/71/94/91/653719491.db2.gz FBXNAOGDTNFUGX-LLVKDONJSA-N 1 0 388.281 2.131 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000863763790 653719831 /nfs/dbraw/zinc/71/98/31/653719831.db2.gz JMFVOXJXRGTACB-RYUDHWBXSA-N 1 0 390.311 2.415 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)n1cc([C@H](C)[NH3+])nn1 ZINC000881148177 653721659 /nfs/dbraw/zinc/72/16/59/653721659.db2.gz VHSTUEKLLSUICQ-DTWKUNHWSA-N 1 0 385.209 2.102 20 0 GEADRO O=C(COC1CC[NH2+]CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000817927537 653722693 /nfs/dbraw/zinc/72/26/93/653722693.db2.gz GSFIXWVOZWHXMT-MRXNPFEDSA-N 1 0 383.286 2.118 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000817952144 653722929 /nfs/dbraw/zinc/72/29/29/653722929.db2.gz CKZXPXOGRFHSKX-LBPRGKRZSA-N 1 0 389.315 2.326 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000881269325 653723446 /nfs/dbraw/zinc/72/34/46/653723446.db2.gz PBZUTFGFBMTNIJ-SNVBAGLBSA-N 1 0 397.273 2.243 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000881269316 653723492 /nfs/dbraw/zinc/72/34/92/653723492.db2.gz OWBAFLINTMNMCS-UHFFFAOYSA-N 1 0 397.273 2.338 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[N@@H+]1C ZINC000881270174 653723792 /nfs/dbraw/zinc/72/37/92/653723792.db2.gz PWCXUFRPXFVXDP-ONGXEEELSA-N 1 0 397.273 2.384 20 0 GEADRO Cn1c(C(=O)NC[C@H]2C[NH2+]CCO2)ccc1-c1ccc(Br)cc1 ZINC000818011139 653723818 /nfs/dbraw/zinc/72/38/18/653723818.db2.gz BDOWTZRXIDCBHG-CQSZACIVSA-N 1 0 378.270 2.173 20 0 GEADRO C[NH2+]CCCN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000818015025 653723892 /nfs/dbraw/zinc/72/38/92/653723892.db2.gz QNBXAIWWGKQIOY-UHFFFAOYSA-N 1 0 387.933 2.196 20 0 GEADRO O=C(NCCC(=O)N1CC[C@]2(CCC[NH2+]2)C1)Nc1ccc(Br)cc1 ZINC000818017217 653724061 /nfs/dbraw/zinc/72/40/61/653724061.db2.gz XQIZOOUFNVXFCM-QGZVFWFLSA-N 1 0 395.301 2.315 20 0 GEADRO CC[N@@H+]1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C[C@@H]1C ZINC000881270768 653724268 /nfs/dbraw/zinc/72/42/68/653724268.db2.gz JPYZPDYNPBTBDX-JTQLQIEISA-N 1 0 397.273 2.338 20 0 GEADRO Cn1cc(C[NH2+][C@H](C2CC2)C2CCOCC2)c(I)n1 ZINC000864051225 653724752 /nfs/dbraw/zinc/72/47/52/653724752.db2.gz DITWAXZEWCNMMU-CYBMUJFWSA-N 1 0 375.254 2.320 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(CONC(=[NH2+])COc2ccccc2F)s1 ZINC000818082036 653725355 /nfs/dbraw/zinc/72/53/55/653725355.db2.gz JVMWDJHYLLYTTD-UHFFFAOYSA-N 1 0 387.458 2.215 20 0 GEADRO O=C(NCCc1ccc(Br)cc1F)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818118006 653726047 /nfs/dbraw/zinc/72/60/47/653726047.db2.gz KNGXAZKCIHBHTR-ZDUSSCGKSA-N 1 0 396.264 2.077 20 0 GEADRO COC(=O)c1ccc(Br)cc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000881338844 653727493 /nfs/dbraw/zinc/72/74/93/653727493.db2.gz BTDPVFQSYXZOQJ-LLVKDONJSA-N 1 0 379.258 2.343 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H](O)c2ccccc2Br)nn1)C1CCOCC1 ZINC000881418303 653730467 /nfs/dbraw/zinc/73/04/67/653730467.db2.gz FYQIUQGEVAWYQN-HOTGVXAUSA-N 1 0 381.274 2.201 20 0 GEADRO C[C@@](O)(Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000881423990 653730756 /nfs/dbraw/zinc/73/07/56/653730756.db2.gz HOMMXSNUQGXPFV-MEDUHNTESA-N 1 0 383.265 2.239 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000881466436 653732185 /nfs/dbraw/zinc/73/21/85/653732185.db2.gz WGWRCISTBVLFJF-CHWSQXEVSA-N 1 0 377.539 2.381 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1Br ZINC000881474377 653732207 /nfs/dbraw/zinc/73/22/07/653732207.db2.gz MEBGFUVPOVDLJF-ZDUSSCGKSA-N 1 0 398.301 2.231 20 0 GEADRO COc1cc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cnc1Br ZINC000881477228 653732378 /nfs/dbraw/zinc/73/23/78/653732378.db2.gz VUCGKAARXBAYJM-CQSZACIVSA-N 1 0 398.301 2.226 20 0 GEADRO CCCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000818544470 653733233 /nfs/dbraw/zinc/73/32/33/653733233.db2.gz AXWRFIQRYFBXLC-AWEZNQCLSA-N 1 0 385.917 2.094 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000818555170 653733444 /nfs/dbraw/zinc/73/34/44/653733444.db2.gz NUKRICBVHPFEQB-ZDUSSCGKSA-N 1 0 389.949 2.474 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000818563142 653733599 /nfs/dbraw/zinc/73/35/99/653733599.db2.gz CVXFSJRUPQRNDL-STQMWFEESA-N 1 0 387.933 2.178 20 0 GEADRO C[C@]1(CNC(=O)c2cn(-c3ccccc3Br)nn2)CCC[NH2+]C1 ZINC000818573956 653733785 /nfs/dbraw/zinc/73/37/85/653733785.db2.gz ZKDJBNSFUAFOEP-INIZCTEOSA-N 1 0 378.274 2.149 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000818585530 653734033 /nfs/dbraw/zinc/73/40/33/653734033.db2.gz GGDKZZVXNJDYFY-HNNXBMFYSA-N 1 0 396.329 2.146 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCC[C@H]2CC[NH3+])c1 ZINC000818591945 653734188 /nfs/dbraw/zinc/73/41/88/653734188.db2.gz QILPRRNZTKBTPW-NSHDSACASA-N 1 0 389.315 2.196 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cn(-c2ccccc2Br)nn1 ZINC000818594955 653734491 /nfs/dbraw/zinc/73/44/91/653734491.db2.gz RAIPNHLTCAOGMM-LBPRGKRZSA-N 1 0 378.274 2.292 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(Br)nn2C)CC1 ZINC000787131390 653734688 /nfs/dbraw/zinc/73/46/88/653734688.db2.gz BORIZAFOFRPDMH-GASCZTMLSA-N 1 0 384.366 2.173 20 0 GEADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000818609943 653734901 /nfs/dbraw/zinc/73/49/01/653734901.db2.gz RQKSUVHOMPDPNA-NSHDSACASA-N 1 0 386.246 2.335 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000864396566 653735138 /nfs/dbraw/zinc/73/51/38/653735138.db2.gz LECJXCMUBQJPQB-INIZCTEOSA-N 1 0 382.302 2.179 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(Cc3cc(Br)nn3C)CC2)CC1 ZINC000787202690 653735518 /nfs/dbraw/zinc/73/55/18/653735518.db2.gz SRUVOHOWXVJXNP-UHFFFAOYSA-N 1 0 384.366 2.173 20 0 GEADRO CO[C@@H]1CC(=O)N(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000787211325 653735683 /nfs/dbraw/zinc/73/56/83/653735683.db2.gz IWLHTQCCGOUUFO-OAHLLOKOSA-N 1 0 383.286 2.249 20 0 GEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000787305795 653736890 /nfs/dbraw/zinc/73/68/90/653736890.db2.gz ONBDYUJMARFFTM-PQEBFOHHSA-N 1 0 385.599 2.261 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cn2)s1 ZINC000818945485 653738866 /nfs/dbraw/zinc/73/88/66/653738866.db2.gz HUKMXPPBWHHVNE-HNNXBMFYSA-N 1 0 387.502 2.136 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000818946904 653739045 /nfs/dbraw/zinc/73/90/45/653739045.db2.gz YKUHQXCJRMIMIL-HNNXBMFYSA-N 1 0 380.432 2.143 20 0 GEADRO COCC[N@H+](C)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000818954773 653739185 /nfs/dbraw/zinc/73/91/85/653739185.db2.gz WMDOMMDQHKNROH-MRXNPFEDSA-N 1 0 377.298 2.354 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Cn1ccc(Br)cc1=O)c1cccs1 ZINC000864515467 653740017 /nfs/dbraw/zinc/74/00/17/653740017.db2.gz SZRRNSFAYCEHIX-GFCCVEGCSA-N 1 0 384.299 2.091 20 0 GEADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000818997426 653740334 /nfs/dbraw/zinc/74/03/34/653740334.db2.gz AMQNMVDTMVHRDI-IAGOWNOFSA-N 1 0 398.345 2.015 20 0 GEADRO COCCN(C)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819007341 653740789 /nfs/dbraw/zinc/74/07/89/653740789.db2.gz WIBMTCBITUUURX-OAHLLOKOSA-N 1 0 379.726 2.478 20 0 GEADRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)[C@H](C)N1CCOCC1 ZINC000819021102 653740844 /nfs/dbraw/zinc/74/08/44/653740844.db2.gz PRQIACWQXCDHNB-DCGLDWPTSA-N 1 0 389.309 2.495 20 0 GEADRO COCCN1CCC[C@H]1C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819018583 653740904 /nfs/dbraw/zinc/74/09/04/653740904.db2.gz UKJLWAJYMMTSDX-YOEHRIQHSA-N 1 0 389.309 2.496 20 0 GEADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCN1CC(F)(F)F ZINC000819053043 653741670 /nfs/dbraw/zinc/74/16/70/653741670.db2.gz AHOJEDOFAUBXHI-VXGBXAGGSA-N 1 0 381.192 2.235 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000841920978 653742535 /nfs/dbraw/zinc/74/25/35/653742535.db2.gz HTOYPBUPVAYIQW-CYBMUJFWSA-N 1 0 384.274 2.177 20 0 GEADRO C[C@]1(CCNC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1(Cl)Cl ZINC000841912596 653742564 /nfs/dbraw/zinc/74/25/64/653742564.db2.gz MPWHEWZSDJLLFZ-JSGCOSHPSA-N 1 0 375.304 2.057 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NCCC[NH2+]C(C)C)c(Br)c1 ZINC000841933236 653742782 /nfs/dbraw/zinc/74/27/82/653742782.db2.gz YETLQOVHQQRXLD-UHFFFAOYSA-N 1 0 386.290 2.423 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@H](C[NH3+])CC(C)C)c(Br)c1 ZINC000841953596 653742877 /nfs/dbraw/zinc/74/28/77/653742877.db2.gz JSPWPSBMIXVCHA-ZDUSSCGKSA-N 1 0 386.290 2.408 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000819095138 653743052 /nfs/dbraw/zinc/74/30/52/653743052.db2.gz UXRBRXIZGLNWDN-RRFJBIMHSA-N 1 0 376.316 2.428 20 0 GEADRO COCC1(CNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000841990618 653743108 /nfs/dbraw/zinc/74/31/08/653743108.db2.gz ALRJFHKXYYOZFT-OAHLLOKOSA-N 1 0 390.311 2.342 20 0 GEADRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccccc3Br)C2)cn1 ZINC000819104273 653743372 /nfs/dbraw/zinc/74/33/72/653743372.db2.gz JEUDNZWGSMDZPA-CXAGYDPISA-N 1 0 379.302 2.475 20 0 GEADRO O=C(NC[C@H](O)c1ccccc1Br)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000842014608 653743720 /nfs/dbraw/zinc/74/37/20/653743720.db2.gz ICEOWXQBOGXGDB-IATRGZMQSA-N 1 0 382.302 2.170 20 0 GEADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]C[C@@H]2CSCCS2)CC1 ZINC000819143022 653744202 /nfs/dbraw/zinc/74/42/02/653744202.db2.gz YSUFPYXQEGKARZ-CABCVRRESA-N 1 0 376.588 2.433 20 0 GEADRO C[NH+](C)CCOc1ccccc1CNc1ccc2nnc(Br)n2n1 ZINC000881865556 653744718 /nfs/dbraw/zinc/74/47/18/653744718.db2.gz DGGRXBMPTCIKKP-UHFFFAOYSA-N 1 0 391.273 2.439 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000881870127 653745222 /nfs/dbraw/zinc/74/52/22/653745222.db2.gz XMDUIINXHFKADM-HUUCEWRRSA-N 1 0 398.400 2.002 20 0 GEADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000819172328 653745255 /nfs/dbraw/zinc/74/52/55/653745255.db2.gz CZVUDZSJWCHQNZ-OAHLLOKOSA-N 1 0 375.531 2.214 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1cccs1 ZINC000819184482 653745520 /nfs/dbraw/zinc/74/55/20/653745520.db2.gz YVPZDUHGYSGUNG-ZDUSSCGKSA-N 1 0 378.878 2.142 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc(F)cc2C)c(C)s1 ZINC000819180620 653745564 /nfs/dbraw/zinc/74/55/64/653745564.db2.gz UPGRQYLCKMMGKD-INIZCTEOSA-N 1 0 386.514 2.414 20 0 GEADRO O=C(CC[NH2+]C[C@@H]1COC2(CCOCC2)O1)Nc1ccc(Br)cc1 ZINC000819216904 653746512 /nfs/dbraw/zinc/74/65/12/653746512.db2.gz YLINRPHEHFIMBN-OAHLLOKOSA-N 1 0 399.285 2.289 20 0 GEADRO O=S1(=O)CCCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819221707 653746726 /nfs/dbraw/zinc/74/67/26/653746726.db2.gz MRBHKNXQJFAUDG-RISCZKNCSA-N 1 0 380.279 2.179 20 0 GEADRO CC1(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)OCCO1 ZINC000819230915 653746734 /nfs/dbraw/zinc/74/67/34/653746734.db2.gz ZQKZCPSWOSMTSN-ZDUSSCGKSA-N 1 0 378.238 2.071 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)c2nc(Br)sc2Cl)CC1 ZINC000864863972 653747089 /nfs/dbraw/zinc/74/70/89/653747089.db2.gz TYMBRMIFIKSEKV-UHFFFAOYSA-N 1 0 395.754 2.316 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000864864586 653747169 /nfs/dbraw/zinc/74/71/69/653747169.db2.gz COZGHXWKRDLQEZ-GVDBMIGSSA-N 1 0 381.314 2.419 20 0 GEADRO C[C@@](O)(C[NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(Br)cc1F ZINC000819276100 653747728 /nfs/dbraw/zinc/74/77/28/653747728.db2.gz BELQHBAWBNIJGD-CQSZACIVSA-N 1 0 394.306 2.353 20 0 GEADRO CON(C)C(=O)CC[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000819289265 653748335 /nfs/dbraw/zinc/74/83/35/653748335.db2.gz IKCPRIQJACRJBF-UHFFFAOYSA-N 1 0 382.629 2.444 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000819289842 653748379 /nfs/dbraw/zinc/74/83/79/653748379.db2.gz QCZHVYLKSCIGPZ-NWANDNLSSA-N 1 0 380.432 2.046 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000819289863 653748380 /nfs/dbraw/zinc/74/83/80/653748380.db2.gz QKKMQAFFFCPWKT-NWANDNLSSA-N 1 0 380.432 2.046 20 0 GEADRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000842211736 653748763 /nfs/dbraw/zinc/74/87/63/653748763.db2.gz GBYPNQQOUHTFPE-QWRGUYRKSA-N 1 0 391.921 2.379 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccccc2Br)CCCC1 ZINC000819307962 653748877 /nfs/dbraw/zinc/74/88/77/653748877.db2.gz JORUPRGZQLSIHS-CQSZACIVSA-N 1 0 376.316 2.430 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000842234947 653749113 /nfs/dbraw/zinc/74/91/13/653749113.db2.gz WOECIAQSCDGKQU-UHFFFAOYSA-N 1 0 387.933 2.290 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1ccc(Cl)cc1Br ZINC000842248825 653749704 /nfs/dbraw/zinc/74/97/04/653749704.db2.gz BROAOOPTKYDPHJ-HNNXBMFYSA-N 1 0 377.710 2.464 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CCC1 ZINC000819377537 653750030 /nfs/dbraw/zinc/75/00/30/653750030.db2.gz SNKPFDVEIXVCIL-AWEZNQCLSA-N 1 0 381.416 2.423 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000865000702 653750761 /nfs/dbraw/zinc/75/07/61/653750761.db2.gz NNLHPYNYRKVLHA-UHFFFAOYSA-N 1 0 382.302 2.088 20 0 GEADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cn2ccc(Br)cc2=O)o1 ZINC000865040987 653751820 /nfs/dbraw/zinc/75/18/20/653751820.db2.gz GTOGXLVTOIWQBH-UHFFFAOYSA-N 1 0 396.285 2.103 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)c(Br)cc1F ZINC000865057766 653752364 /nfs/dbraw/zinc/75/23/64/653752364.db2.gz FICRPVSBGBTUQI-VHSXEESVSA-N 1 0 375.213 2.320 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C1 ZINC000881953008 653752660 /nfs/dbraw/zinc/75/26/60/653752660.db2.gz UXECEENIBDHUTF-NPMXOYFQSA-N 1 0 379.592 2.325 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)cn3ccnc23)cn1 ZINC000865085996 653753185 /nfs/dbraw/zinc/75/31/85/653753185.db2.gz UDLPXDPTPCITCX-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO NC(=O)CN1CCCN(C(=O)c2ccc3ccc(Br)cc3c2)CC1 ZINC000865163199 653755552 /nfs/dbraw/zinc/75/55/52/653755552.db2.gz GGRMGNQQYIBJLC-UHFFFAOYSA-N 1 0 390.281 2.236 20 0 GEADRO C[NH+](C)C1(CNc2ccc3nnc(Br)n3n2)Cc2ccccc2C1 ZINC000882014312 653757235 /nfs/dbraw/zinc/75/72/35/653757235.db2.gz CVXNROXBVSASFL-UHFFFAOYSA-N 1 0 387.285 2.398 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)ccc1Br ZINC000842481451 653757992 /nfs/dbraw/zinc/75/79/92/653757992.db2.gz KAAYYRSCEQDHFI-LLVKDONJSA-N 1 0 375.288 2.072 20 0 GEADRO [NH3+]CC[C@@H](NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)C(F)F ZINC000842484056 653758348 /nfs/dbraw/zinc/75/83/48/653758348.db2.gz WVJOBEJRCOLRPJ-CYBMUJFWSA-N 1 0 382.379 2.477 20 0 GEADRO Cc1ccc(OCCC(=O)N[C@@H](CO)C[NH+]2CCCC2)c(Br)c1 ZINC000819838065 653758653 /nfs/dbraw/zinc/75/86/53/653758653.db2.gz XAMBKAUHWWOYDR-CQSZACIVSA-N 1 0 385.302 2.099 20 0 GEADRO C[NH+](C)CCC1CCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000882045816 653759119 /nfs/dbraw/zinc/75/91/19/653759119.db2.gz MBIQDYDXWFAAQV-HSZRJFAPSA-N 1 0 379.592 2.325 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000882047135 653759327 /nfs/dbraw/zinc/75/93/27/653759327.db2.gz PRLDSTNPBCJWJX-QKFKETGDSA-N 1 0 379.592 2.324 20 0 GEADRO C[NH2+]C[C@@H](C)c1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)n1 ZINC000842577100 653759709 /nfs/dbraw/zinc/75/97/09/653759709.db2.gz PPXMWCOYNVZGHZ-DGCLKSJQSA-N 1 0 384.527 2.331 20 0 GEADRO C[NH2+]C[C@H](C)c1noc(-c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 ZINC000842576634 653759714 /nfs/dbraw/zinc/75/97/14/653759714.db2.gz HFTNERSVURQLTQ-NSHDSACASA-N 1 0 384.889 2.497 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1Cl ZINC000788597687 653760404 /nfs/dbraw/zinc/76/04/04/653760404.db2.gz VBGYVQSHJZTFOH-GHMZBOCLSA-N 1 0 392.930 2.402 20 0 GEADRO COCC(C)(C)[NH+]1CCN(Cn2c(=O)oc3cccc(Br)c32)CC1 ZINC000819895277 653760815 /nfs/dbraw/zinc/76/08/15/653760815.db2.gz KVYNSHMGYUJRII-UHFFFAOYSA-N 1 0 398.301 2.357 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c(C)c1Cl ZINC000788619997 653760872 /nfs/dbraw/zinc/76/08/72/653760872.db2.gz TUGFANXMUAASPS-SNVBAGLBSA-N 1 0 380.919 2.117 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c(C)c1Cl ZINC000788619995 653761010 /nfs/dbraw/zinc/76/10/10/653761010.db2.gz TUGFANXMUAASPS-JTQLQIEISA-N 1 0 380.919 2.117 20 0 GEADRO CCN(CCC[NH2+]Cc1cc(Br)cnc1Cl)S(C)(=O)=O ZINC000842671818 653762098 /nfs/dbraw/zinc/76/20/98/653762098.db2.gz XCZPGKAVQSOBLH-UHFFFAOYSA-N 1 0 384.727 2.259 20 0 GEADRO O=S1(=O)CCCN1c1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c(Cl)c1 ZINC000842667747 653762041 /nfs/dbraw/zinc/76/20/41/653762041.db2.gz KVSZABIBEZNQDR-LLVKDONJSA-N 1 0 382.873 2.397 20 0 GEADRO O=c1c2cc(Br)ccc2ncn1Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842665023 653762132 /nfs/dbraw/zinc/76/21/32/653762132.db2.gz MDOKNIDAAVXJQH-SNVBAGLBSA-N 1 0 390.241 2.057 20 0 GEADRO COc1ccc(CCS(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000788674814 653763086 /nfs/dbraw/zinc/76/30/86/653763086.db2.gz IMAQMKBKXIJHEX-ROUUACIJSA-N 1 0 384.567 2.079 20 0 GEADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)O1 ZINC000842695761 653763284 /nfs/dbraw/zinc/76/32/84/653763284.db2.gz XBLFXOBUKTWJRH-NWDGAFQWSA-N 1 0 376.682 2.223 20 0 GEADRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc3nnc(Br)n3n2)cc1 ZINC000882126215 653763927 /nfs/dbraw/zinc/76/39/27/653763927.db2.gz WOSKWHKEYXXXJA-MRXNPFEDSA-N 1 0 391.273 2.267 20 0 GEADRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cccnc1Br ZINC000865405893 653764403 /nfs/dbraw/zinc/76/44/03/653764403.db2.gz ZFILTNNIMJUZFK-UHFFFAOYSA-N 1 0 381.274 2.188 20 0 GEADRO C[NH+]1CCN(c2cc(CNCc3cccnc3Br)ccn2)CC1 ZINC000865414535 653764648 /nfs/dbraw/zinc/76/46/48/653764648.db2.gz AGIYTJFPSRLPNY-UHFFFAOYSA-N 1 0 376.302 2.281 20 0 GEADRO Cc1ccnc(CNCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1Br ZINC000865441916 653765487 /nfs/dbraw/zinc/76/54/87/653765487.db2.gz HMUMCPZGRQSPTI-HNNXBMFYSA-N 1 0 383.334 2.185 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000842743583 653765631 /nfs/dbraw/zinc/76/56/31/653765631.db2.gz HMNIGKHIYSLNCH-QMMMGPOBSA-N 1 0 399.332 2.093 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(C)c1Cl ZINC000842747468 653765796 /nfs/dbraw/zinc/76/57/96/653765796.db2.gz IKPXVUGNQPEXSX-SNVBAGLBSA-N 1 0 378.903 2.012 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cccnc2Br)CC1 ZINC000865460125 653765924 /nfs/dbraw/zinc/76/59/24/653765924.db2.gz OBALKYDFVSGGQV-UHFFFAOYSA-N 1 0 398.273 2.198 20 0 GEADRO C[C@](O)(C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(F)cc1F ZINC000865464007 653766048 /nfs/dbraw/zinc/76/60/48/653766048.db2.gz GPMBHMBQBDGJDA-INIZCTEOSA-N 1 0 390.839 2.263 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)CC(F)F ZINC000865473270 653766175 /nfs/dbraw/zinc/76/61/75/653766175.db2.gz LYJKIJSMNQBOOM-FRRDWIJNSA-N 1 0 384.489 2.480 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNc2ccc(CO)c(Br)n2)CC1 ZINC000865470656 653766183 /nfs/dbraw/zinc/76/61/83/653766183.db2.gz JIXWVMJMMOTSPF-UHFFFAOYSA-N 1 0 392.301 2.095 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000865515493 653767140 /nfs/dbraw/zinc/76/71/40/653767140.db2.gz QEKLGRXUEJBWQW-GFCCVEGCSA-N 1 0 396.260 2.426 20 0 GEADRO CN(CC[N@H+](C)C1CC1)c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882196579 653768743 /nfs/dbraw/zinc/76/87/43/653768743.db2.gz CEIZKEWGFYEBET-UHFFFAOYSA-N 1 0 383.212 2.099 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(Cl)cc1Cl ZINC000842814187 653769275 /nfs/dbraw/zinc/76/92/75/653769275.db2.gz GKLJMBPKCNPHHB-IUCAKERBSA-N 1 0 381.281 2.199 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)NCCc2ccc(Br)cc2F)cn1 ZINC000865600986 653769729 /nfs/dbraw/zinc/76/97/29/653769729.db2.gz HSGMSVNEAHFAIK-UHFFFAOYSA-N 1 0 383.265 2.319 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c(Cl)cc1Cl ZINC000842836638 653770170 /nfs/dbraw/zinc/77/01/70/653770170.db2.gz UJMMYFBXMLLVIG-IUCAKERBSA-N 1 0 381.281 2.151 20 0 GEADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cc2n(n1)CCCC2 ZINC000842852664 653770635 /nfs/dbraw/zinc/77/06/35/653770635.db2.gz SYHOMPREOVPORR-LBPRGKRZSA-N 1 0 376.473 2.134 20 0 GEADRO O=S(=O)(NC[C@@H]1[NH2+]CCc2ccccc21)c1c(Cl)nc2sccn21 ZINC000842857441 653770663 /nfs/dbraw/zinc/77/06/63/653770663.db2.gz FOEIHQIXTDUQOR-LBPRGKRZSA-N 1 0 382.898 2.215 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000842859255 653770815 /nfs/dbraw/zinc/77/08/15/653770815.db2.gz DIJWANFUKZMSAB-LLVKDONJSA-N 1 0 395.294 2.489 20 0 GEADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000865649739 653770999 /nfs/dbraw/zinc/77/09/99/653770999.db2.gz SWOHXBZFCMQJFD-OAHLLOKOSA-N 1 0 390.281 2.130 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)c2cc(I)nn2C)CC1 ZINC000865654057 653771166 /nfs/dbraw/zinc/77/11/66/653771166.db2.gz KSMDXEWMFARUCP-UHFFFAOYSA-N 1 0 390.269 2.019 20 0 GEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000842869470 653771169 /nfs/dbraw/zinc/77/11/69/653771169.db2.gz LCJPHOGVBSFXHN-SNVBAGLBSA-N 1 0 393.303 2.032 20 0 GEADRO O=S(=O)(N[C@H]1CCCN(CCCO)C1)c1cc2nc(Cl)ccc2s1 ZINC000882229206 653771274 /nfs/dbraw/zinc/77/12/74/653771274.db2.gz BWKSZRBLDJLLAY-NSHDSACASA-N 1 0 389.930 2.075 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882235668 653771620 /nfs/dbraw/zinc/77/16/20/653771620.db2.gz VPPGDHADIAZJIZ-UHFFFAOYSA-N 1 0 397.239 2.489 20 0 GEADRO O=C1[C@H](N2CC[NH+](CCCCO)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000789346912 653772033 /nfs/dbraw/zinc/77/20/33/653772033.db2.gz FETAZDWLMDKVLU-QGZVFWFLSA-N 1 0 386.323 2.489 20 0 GEADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)cccc21 ZINC000789353340 653772220 /nfs/dbraw/zinc/77/22/20/653772220.db2.gz RVWIIDLTDQARRF-GWCFXTLKSA-N 1 0 386.279 2.320 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842890556 653772221 /nfs/dbraw/zinc/77/22/21/653772221.db2.gz PALXEUWZNBKPIP-LBPRGKRZSA-N 1 0 391.827 2.172 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cn1 ZINC000865715718 653772632 /nfs/dbraw/zinc/77/26/32/653772632.db2.gz COBDNRAAFHMEFB-QGZVFWFLSA-N 1 0 379.302 2.388 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@](C)(O)c3ccc(F)c(Br)c3)C2)C1 ZINC000820341069 653772798 /nfs/dbraw/zinc/77/27/98/653772798.db2.gz BFRHEZHJJCOUMT-IAGOWNOFSA-N 1 0 385.277 2.350 20 0 GEADRO COc1nc(Br)ccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000789378354 653773117 /nfs/dbraw/zinc/77/31/17/653773117.db2.gz ORXWGMHNJAXKGA-CQSZACIVSA-N 1 0 389.319 2.412 20 0 GEADRO CCCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NCCSC)cc1 ZINC000789406674 653774295 /nfs/dbraw/zinc/77/42/95/653774295.db2.gz YQRWFFKBZWANRV-UHFFFAOYSA-O 1 0 378.547 2.219 20 0 GEADRO O=C1OC[C@@]2(C[NH2+]Cc3ccc(Cl)c(Br)c3)COCCN12 ZINC000865770671 653774325 /nfs/dbraw/zinc/77/43/25/653774325.db2.gz ULWHYBIBAYJABQ-CQSZACIVSA-N 1 0 375.650 2.413 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@@H]3CCc4cccc(Br)c4C3)COCCN12 ZINC000865769784 653774355 /nfs/dbraw/zinc/77/43/55/653774355.db2.gz DJQKMFIQOKXDNW-CXAGYDPISA-N 1 0 381.270 2.117 20 0 GEADRO Cc1c(Cl)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)sc1S(N)(=O)=O ZINC000820447906 653774717 /nfs/dbraw/zinc/77/47/17/653774717.db2.gz YBGNZWRZZLGCII-UHFFFAOYSA-N 1 0 393.962 2.396 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1I ZINC000865857317 653777446 /nfs/dbraw/zinc/77/74/46/653777446.db2.gz PJOWKAIBUUSFCM-NSHDSACASA-N 1 0 390.269 2.092 20 0 GEADRO C[N@H+](CCCCNc1ccc(Br)cc1S(N)(=O)=O)C1CC1 ZINC000865866495 653777693 /nfs/dbraw/zinc/77/76/93/653777693.db2.gz MXWHUDKGYVQYRK-UHFFFAOYSA-N 1 0 376.320 2.383 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000843049671 653778122 /nfs/dbraw/zinc/77/81/22/653778122.db2.gz RFWFRWWNBPTZJM-NEPJUHHUSA-N 1 0 384.933 2.074 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000843049846 653778124 /nfs/dbraw/zinc/77/81/24/653778124.db2.gz VFXIOEWNMGVIGX-RQJHMYQMSA-N 1 0 397.195 2.043 20 0 GEADRO O[C@@H](CNC[C@@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000843061282 653778292 /nfs/dbraw/zinc/77/82/92/653778292.db2.gz DJVUIUDAOKKBEZ-XJKSGUPXSA-N 1 0 375.282 2.058 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000843085253 653778762 /nfs/dbraw/zinc/77/87/62/653778762.db2.gz HAERVLGJWNCWBP-RISCZKNCSA-N 1 0 376.856 2.378 20 0 GEADRO C[C@](O)(C[NH2+]C[C@H](O)C1CCOCC1)c1ccc(Br)cc1F ZINC000843083678 653778818 /nfs/dbraw/zinc/77/88/18/653778818.db2.gz RKGKXUVVGFBHFP-HOTGVXAUSA-N 1 0 376.266 2.173 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843099555 653779297 /nfs/dbraw/zinc/77/92/97/653779297.db2.gz ANKNWMBGNKGYKG-CZUORRHYSA-N 1 0 377.298 2.304 20 0 GEADRO C[C@@](O)(C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(Br)cc1F ZINC000843105070 653779402 /nfs/dbraw/zinc/77/94/02/653779402.db2.gz RZXXANZABGILMB-JKSUJKDBSA-N 1 0 376.266 2.173 20 0 GEADRO [NH3+]C1(Cc2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)CCC1 ZINC000843201169 653781136 /nfs/dbraw/zinc/78/11/36/653781136.db2.gz QEGNYCPWBBTOLU-UHFFFAOYSA-N 1 0 390.241 2.496 20 0 GEADRO Brc1cc(Cc2noc(C[C@H]3CCC[NH2+]3)n2)cc2c1OCCO2 ZINC000843203619 653781358 /nfs/dbraw/zinc/78/13/58/653781358.db2.gz UXENJXKMQRGLEI-LLVKDONJSA-N 1 0 380.242 2.489 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000865951948 653781398 /nfs/dbraw/zinc/78/13/98/653781398.db2.gz LRYSKPZQPFRTAU-RCCFBDPRSA-N 1 0 393.325 2.298 20 0 GEADRO CC(C)n1ncc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000865959988 653781502 /nfs/dbraw/zinc/78/15/02/653781502.db2.gz QQFDPLMUBPOAFH-CYBMUJFWSA-N 1 0 399.333 2.457 20 0 GEADRO C[C@]1(c2nc(-c3cccn4c(I)cnc34)no2)CC[NH2+]C1 ZINC000843225110 653781945 /nfs/dbraw/zinc/78/19/45/653781945.db2.gz XOCQWPXBOYZJFS-AWEZNQCLSA-N 1 0 395.204 2.240 20 0 GEADRO O=C(NCc1noc(C[C@@H]2CSCC[NH2+]2)n1)c1ccc(Br)cc1 ZINC000843230623 653781977 /nfs/dbraw/zinc/78/19/77/653781977.db2.gz QCFPBPQQRYXKGA-GFCCVEGCSA-N 1 0 397.298 2.010 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843261529 653782284 /nfs/dbraw/zinc/78/22/84/653782284.db2.gz FYCDKYZYTGTTBW-UHFFFAOYSA-N 1 0 384.318 2.351 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCc1cc(Br)cs1)[NH+]1CCCCC1 ZINC000789875928 653782292 /nfs/dbraw/zinc/78/22/92/653782292.db2.gz CLKQTXMGEOPJID-NSHDSACASA-N 1 0 388.331 2.117 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000843258870 653782309 /nfs/dbraw/zinc/78/23/09/653782309.db2.gz INJXRXMKQHVTRG-UHFFFAOYSA-N 1 0 396.329 2.232 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000865988151 653782576 /nfs/dbraw/zinc/78/25/76/653782576.db2.gz GKSVSNMXAGFVTD-HNNXBMFYSA-N 1 0 382.302 2.088 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC000882469319 653783328 /nfs/dbraw/zinc/78/33/28/653783328.db2.gz WLIVIDDRHZLBKS-CQSZACIVSA-N 1 0 387.373 2.190 20 0 GEADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000820792799 653783555 /nfs/dbraw/zinc/78/35/55/653783555.db2.gz IIGJJSHBMLFHAY-JTQLQIEISA-N 1 0 379.309 2.218 20 0 GEADRO C[NH+]1CCC2(CCN(S(=O)(=O)N=[S@](C)(=O)C3CCCCC3)CC2)CC1 ZINC000882476029 653783705 /nfs/dbraw/zinc/78/37/05/653783705.db2.gz AXDQHGWOCWSUCN-XMMPIXPASA-N 1 0 391.603 2.470 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000882491355 653784839 /nfs/dbraw/zinc/78/48/39/653784839.db2.gz GFJKNVLFQMCZEQ-HOTGVXAUSA-N 1 0 394.313 2.151 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000866066997 653785017 /nfs/dbraw/zinc/78/50/17/653785017.db2.gz AKITZUGBHJBKMP-HZPDHXFCSA-N 1 0 382.302 2.179 20 0 GEADRO CN(CC(=O)N1CCC(C)([NH+]2CCC2)CC1)C(=O)c1ccc(Br)o1 ZINC000882502535 653785286 /nfs/dbraw/zinc/78/52/86/653785286.db2.gz LFCKPTSCCQCELV-UHFFFAOYSA-N 1 0 398.301 2.201 20 0 GEADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1csc(Br)n1 ZINC000820907874 653786207 /nfs/dbraw/zinc/78/62/07/653786207.db2.gz SDYHFTRVPHHZAW-CYBMUJFWSA-N 1 0 396.310 2.055 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000843407473 653786375 /nfs/dbraw/zinc/78/63/75/653786375.db2.gz GSBCYFBJQWRWSE-XJKSGUPXSA-N 1 0 383.286 2.118 20 0 GEADRO CN(CC[NH+]1CCCCC1)c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882529945 653786916 /nfs/dbraw/zinc/78/69/16/653786916.db2.gz CQVWOGUBNLKYFC-UHFFFAOYSA-N 1 0 397.239 2.490 20 0 GEADRO CN1CC[NH+](C2CCN(C(=O)Nc3nc(C(F)(F)F)cs3)CC2)CC1 ZINC000866153610 653787332 /nfs/dbraw/zinc/78/73/32/653787332.db2.gz HNDCFTGCVQAEIY-UHFFFAOYSA-N 1 0 377.436 2.406 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)[C@H]1C ZINC000843471834 653787801 /nfs/dbraw/zinc/78/78/01/653787801.db2.gz DAQYUGJLTFSZKO-NEPJUHHUSA-N 1 0 387.933 2.239 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cn(-c2ccccc2Br)nn1 ZINC000843502463 653788500 /nfs/dbraw/zinc/78/85/00/653788500.db2.gz CQCHFNIGVYLHRI-LBPRGKRZSA-N 1 0 390.285 2.434 20 0 GEADRO [NH3+]CCCCCCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000843506518 653788709 /nfs/dbraw/zinc/78/87/09/653788709.db2.gz LSWWJMXRYSILAP-UHFFFAOYSA-N 1 0 396.340 2.297 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC[NH2+]C2CC2)ccc1Cl ZINC000843513146 653788831 /nfs/dbraw/zinc/78/88/31/653788831.db2.gz UVLWYSFFIACBGX-UHFFFAOYSA-N 1 0 387.933 2.242 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cn(-c2ccccc2Br)nn1 ZINC000843513537 653788999 /nfs/dbraw/zinc/78/89/99/653788999.db2.gz HEXUSGCAZIKAME-OAHLLOKOSA-N 1 0 390.285 2.434 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(F)cc(Br)c1F ZINC000821052367 653789623 /nfs/dbraw/zinc/78/96/23/653789623.db2.gz LPEXBMBVWHKQQU-NSHDSACASA-N 1 0 377.229 2.304 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc(N)nc(Br)c1 ZINC000821066561 653789817 /nfs/dbraw/zinc/78/98/17/653789817.db2.gz ZHMLRBFXGBGDEN-UHFFFAOYSA-N 1 0 393.285 2.336 20 0 GEADRO O=S1(=O)N=C(Cl)c2ccc(NC3CC[NH+](C4CCOCC4)CC3)cc21 ZINC000882592120 653790095 /nfs/dbraw/zinc/79/00/95/653790095.db2.gz YOYWHCGSVJBZMY-UHFFFAOYSA-N 1 0 383.901 2.430 20 0 GEADRO CC(C)n1ncc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1Br ZINC000866333638 653790972 /nfs/dbraw/zinc/79/09/72/653790972.db2.gz MEOPKKLSEQRMCH-AWEZNQCLSA-N 1 0 375.336 2.394 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)C(=O)Cn1ccc(Br)cc1=O ZINC000882626154 653791596 /nfs/dbraw/zinc/79/15/96/653791596.db2.gz UPKTYBHPSDNSKC-UHFFFAOYSA-N 1 0 384.318 2.335 20 0 GEADRO CC[N@H+](CCC(=O)OC)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790445227 653792060 /nfs/dbraw/zinc/79/20/60/653792060.db2.gz HFHOWMXQVAYJSQ-UHFFFAOYSA-N 1 0 398.257 2.428 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CCn1cnc(Br)n1)C1CC1 ZINC000821396615 653797444 /nfs/dbraw/zinc/79/74/44/653797444.db2.gz RJZZJYJNWFIDOK-OAHLLOKOSA-N 1 0 388.310 2.324 20 0 GEADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)c1 ZINC000866475773 653797726 /nfs/dbraw/zinc/79/77/26/653797726.db2.gz GZUDOSSBLGSLCD-DEOSSOPVSA-N 1 0 381.523 2.240 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2ccc(Br)cc2O)C[C@@H]1C ZINC000844024923 653799322 /nfs/dbraw/zinc/79/93/22/653799322.db2.gz REFCXDKYYZLLMW-BETUJISGSA-N 1 0 385.302 2.265 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866506687 653799626 /nfs/dbraw/zinc/79/96/26/653799626.db2.gz PEVGFJZJVTXTAJ-TXEJJXNPSA-N 1 0 382.452 2.085 20 0 GEADRO CC(C)(C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)CS(N)(=O)=O ZINC000866573486 653802863 /nfs/dbraw/zinc/80/28/63/653802863.db2.gz WSOCWCQZUCLYBM-GFCCVEGCSA-N 1 0 379.295 2.480 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)cc1 ZINC000866579900 653803516 /nfs/dbraw/zinc/80/35/16/653803516.db2.gz UQVUMNWRFRBXIP-LBPRGKRZSA-N 1 0 382.507 2.336 20 0 GEADRO CCC[NH+]1CCC(CNS(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000866681058 653810633 /nfs/dbraw/zinc/81/06/33/653810633.db2.gz SWWCFOLCMKRRFZ-XMMPIXPASA-N 1 0 391.534 2.239 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000866684091 653811343 /nfs/dbraw/zinc/81/13/43/653811343.db2.gz IOVNDLKACVXXCK-UHFFFAOYSA-N 1 0 376.404 2.311 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000894995164 653811731 /nfs/dbraw/zinc/81/17/31/653811731.db2.gz ZYBFGHCADSNSPM-LLVKDONJSA-N 1 0 389.212 2.030 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000866738269 653817069 /nfs/dbraw/zinc/81/70/69/653817069.db2.gz MNEVWCWVTWTGRU-NEPJUHHUSA-N 1 0 391.331 2.265 20 0 GEADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000866748302 653818698 /nfs/dbraw/zinc/81/86/98/653818698.db2.gz MJLKISRLLMTNJD-IUODEOHRSA-N 1 0 378.416 2.161 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000866747980 653818762 /nfs/dbraw/zinc/81/87/62/653818762.db2.gz AGCBAWWLJACQSP-CQSZACIVSA-N 1 0 380.341 2.359 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000866752593 653819537 /nfs/dbraw/zinc/81/95/37/653819537.db2.gz SJTLUGNZDMBTCM-CQSZACIVSA-N 1 0 387.373 2.379 20 0 GEADRO CNC(=O)[C@H](C[NH2+]C1CCS(=O)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000895123012 653819770 /nfs/dbraw/zinc/81/97/70/653819770.db2.gz HVSZGJVYZARQGW-XYAJRRANSA-N 1 0 376.444 2.111 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866769913 653822119 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GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000883593905 653847310 /nfs/dbraw/zinc/84/73/10/653847310.db2.gz UILZYLOBVSEHDR-ZYHUDNBSSA-N 1 0 395.257 2.138 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)C2 ZINC000883622319 653848038 /nfs/dbraw/zinc/84/80/38/653848038.db2.gz MQWGISVUDJNMQM-UHFFFAOYSA-N 1 0 385.276 2.432 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc3nc(Cl)ncc3s2)CCSC1 ZINC000866916091 653848759 /nfs/dbraw/zinc/84/87/59/653848759.db2.gz PUBNTJRQPRDAQZ-CYBMUJFWSA-N 1 0 392.959 2.060 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cscc2Br)C1 ZINC000883640048 653849064 /nfs/dbraw/zinc/84/90/64/653849064.db2.gz FOMPZWFFQAWHLQ-WDEREUQCSA-N 1 0 388.331 2.055 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cscc2Br)C1 ZINC000883640045 653849088 /nfs/dbraw/zinc/84/90/88/653849088.db2.gz FOMPZWFFQAWHLQ-GHMZBOCLSA-N 1 0 388.331 2.055 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2cscc2Br)CC1 ZINC000883639658 653849092 /nfs/dbraw/zinc/84/90/92/653849092.db2.gz VOQAFCVCXSRFHP-JTQLQIEISA-N 1 0 388.331 2.055 20 0 GEADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000883639712 653849169 /nfs/dbraw/zinc/84/91/69/653849169.db2.gz WWMLSUBZOXAKRJ-NSHDSACASA-N 1 0 388.331 2.056 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000895767683 653849436 /nfs/dbraw/zinc/84/94/36/653849436.db2.gz ALPIITGXNFWGJE-IAQYHMDHSA-N 1 0 385.277 2.404 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000895767685 653849666 /nfs/dbraw/zinc/84/96/66/653849666.db2.gz ALPIITGXNFWGJE-XHDPSFHLSA-N 1 0 385.277 2.404 20 0 GEADRO CCn1ncc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1Br ZINC000823063320 653852289 /nfs/dbraw/zinc/85/22/89/653852289.db2.gz QJZVUIDXYHCGPM-CQSZACIVSA-N 1 0 393.285 2.484 20 0 GEADRO O=C(c1c[nH]nc1I)N1CCC([NH+]2CCCCC2)CC1 ZINC000895846975 653852497 /nfs/dbraw/zinc/85/24/97/653852497.db2.gz SSKJYEHRXBWUGY-UHFFFAOYSA-N 1 0 388.253 2.105 20 0 GEADRO Ic1cnc2c(-c3noc([C@@H]4C[C@H]5C[C@H]5[NH2+]4)n3)cccn12 ZINC000823114995 653854048 /nfs/dbraw/zinc/85/40/48/653854048.db2.gz HBKUESVZCJZTGE-QNSHHTMESA-N 1 0 393.188 2.412 20 0 GEADRO Ic1cnc2ccc(-c3noc(C[C@@H]4CC[NH2+]C4)n3)cn12 ZINC000823115985 653854131 /nfs/dbraw/zinc/85/41/31/653854131.db2.gz OIDUEOJXDWSGMK-VIFPVBQESA-N 1 0 395.204 2.141 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000823133670 653855024 /nfs/dbraw/zinc/85/50/24/653855024.db2.gz PCNMAIXLQNAHLX-GXTWGEPZSA-N 1 0 380.286 2.428 20 0 GEADRO O=C(NCc1ncc(Br)cn1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000895899599 653856126 /nfs/dbraw/zinc/85/61/26/653856126.db2.gz MEXNJURXVOQULQ-HNNXBMFYSA-N 1 0 390.285 2.313 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)nc1Br ZINC000792950976 653856828 /nfs/dbraw/zinc/85/68/28/653856828.db2.gz LEYAZUYTAZVAES-LBPRGKRZSA-N 1 0 385.306 2.184 20 0 GEADRO Cc1ccc([C@H](CNC(=O)c2c[nH]nc2I)[NH+](C)C)cc1 ZINC000895938159 653857894 /nfs/dbraw/zinc/85/78/94/653857894.db2.gz VPEULXPJRCJGJY-ZDUSSCGKSA-N 1 0 398.248 2.355 20 0 GEADRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000845672398 653858383 /nfs/dbraw/zinc/85/83/83/653858383.db2.gz JZXXSFRZXDZVKQ-LSDHHAIUSA-N 1 0 386.539 2.319 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000884053131 653861354 /nfs/dbraw/zinc/86/13/54/653861354.db2.gz MMYPEOBSZQOTGN-CYBMUJFWSA-N 1 0 385.917 2.309 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884040108 653861402 /nfs/dbraw/zinc/86/14/02/653861402.db2.gz JTIWPUISQIVPLF-INIZCTEOSA-N 1 0 395.297 2.379 20 0 GEADRO CN(C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C1CCC([NH3+])CC1 ZINC000884040738 653861406 /nfs/dbraw/zinc/86/14/06/653861406.db2.gz CAQXCCNMNTWUOM-PIMMBPRGSA-N 1 0 381.270 2.259 20 0 GEADRO O=C(CSC(F)F)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000823310418 653861879 /nfs/dbraw/zinc/86/18/79/653861879.db2.gz MPJMDNQIPFDMMT-UHFFFAOYSA-N 1 0 377.501 2.173 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(Br)cc1 ZINC000884063105 653862144 /nfs/dbraw/zinc/86/21/44/653862144.db2.gz NCQIQMVDLOHIJR-MRXNPFEDSA-N 1 0 394.313 2.310 20 0 GEADRO O=C(NCCCNC(=O)[C@@]12CC[N@H+](C1)CCC2)c1cccc(Br)c1 ZINC000896049086 653862188 /nfs/dbraw/zinc/86/21/88/653862188.db2.gz LRUKHYMYNLVXIC-SFHVURJKSA-N 1 0 394.313 2.171 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000866995332 653862218 /nfs/dbraw/zinc/86/22/18/653862218.db2.gz CFXIEVAJNZXGMP-HYVNUMGLSA-N 1 0 390.908 2.492 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)nc1Br ZINC000793019667 653862928 /nfs/dbraw/zinc/86/29/28/653862928.db2.gz AISLLXZGCJWCOU-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000884099914 653863554 /nfs/dbraw/zinc/86/35/54/653863554.db2.gz CNIOIDZNRYAWOF-LSDHHAIUSA-N 1 0 386.926 2.369 20 0 GEADRO O=C(NCCCNC(=O)[C@@]12CC[N@H+](C1)CCC2)c1ccc(Br)cc1 ZINC000896082010 653863772 /nfs/dbraw/zinc/86/37/72/653863772.db2.gz KIMYGORRTOUETK-SFHVURJKSA-N 1 0 394.313 2.171 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)nc1Br ZINC000793053976 653864817 /nfs/dbraw/zinc/86/48/17/653864817.db2.gz RCDYHUADMUFYKS-LBPRGKRZSA-N 1 0 383.290 2.080 20 0 GEADRO CC(C)N1C(=S)N=NC1CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884127947 653864906 /nfs/dbraw/zinc/86/49/06/653864906.db2.gz QPMYHWCQBOSEFE-GFCCVEGCSA-N 1 0 384.303 2.226 20 0 GEADRO CN(C)C(=O)C1(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CCCC1 ZINC000884138254 653865722 /nfs/dbraw/zinc/86/57/22/653865722.db2.gz IQXBECCJJKSXGQ-CQSZACIVSA-N 1 0 382.302 2.214 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)nc1Br ZINC000793070617 653865738 /nfs/dbraw/zinc/86/57/38/653865738.db2.gz VSLWJPNAMZFFGN-UHFFFAOYSA-N 1 0 383.290 2.035 20 0 GEADRO Cn1cc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)n1 ZINC000896158579 653866656 /nfs/dbraw/zinc/86/66/56/653866656.db2.gz XVGDCXXISVODGX-HNNXBMFYSA-N 1 0 391.313 2.477 20 0 GEADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884172592 653866722 /nfs/dbraw/zinc/86/67/22/653866722.db2.gz YSTWPGNGNUNVKA-XPTSAGLGSA-N 1 0 379.309 2.201 20 0 GEADRO O=C(/C=C/C=C(Cl)Cl)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000896175648 653867482 /nfs/dbraw/zinc/86/74/82/653867482.db2.gz ZGLIVWFRBJWIKT-ZZXKWVIFSA-N 1 0 384.311 2.370 20 0 GEADRO O=C(/C=C\C=C(Cl)Cl)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000896175647 653867569 /nfs/dbraw/zinc/86/75/69/653867569.db2.gz ZGLIVWFRBJWIKT-UTCJRWHESA-N 1 0 384.311 2.370 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884202939 653867773 /nfs/dbraw/zinc/86/77/73/653867773.db2.gz LQNDRGGOUGAUIV-VXGBXAGGSA-N 1 0 380.208 2.202 20 0 GEADRO N[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000884220496 653868159 /nfs/dbraw/zinc/86/81/59/653868159.db2.gz UXQMGFMDZPWCHF-QGZVFWFLSA-N 1 0 396.329 2.020 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]([NH3+])CCOC)CC1 ZINC000884212539 653868290 /nfs/dbraw/zinc/86/82/90/653868290.db2.gz ICOIOQXTDWVOPF-IRXDYDNUSA-N 1 0 398.345 2.408 20 0 GEADRO CC[NH+]1CCC(CNC(=O)c2csc(I)n2)CC1 ZINC000823439730 653868555 /nfs/dbraw/zinc/86/85/55/653868555.db2.gz UKEQJXZLHHVPCF-UHFFFAOYSA-N 1 0 379.267 2.209 20 0 GEADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCC2(C1)CC[NH2+]CC2 ZINC000884242634 653869028 /nfs/dbraw/zinc/86/90/28/653869028.db2.gz CVQCSVQEKXSCCT-HNNXBMFYSA-N 1 0 393.281 2.133 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884244439 653869313 /nfs/dbraw/zinc/86/93/13/653869313.db2.gz FFBPGFYRGKNDLX-NXEZZACHSA-N 1 0 398.692 2.493 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)c1csc(I)c1Br ZINC000884274755 653869880 /nfs/dbraw/zinc/86/98/80/653869880.db2.gz UJPVWERSCYSYMY-SCSAIBSYSA-N 1 0 389.056 2.192 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000884277857 653869890 /nfs/dbraw/zinc/86/98/90/653869890.db2.gz XDQQREHVJJLLPT-ABAIWWIYSA-N 1 0 381.270 2.118 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884270423 653870003 /nfs/dbraw/zinc/87/00/03/653870003.db2.gz MBLMQIUSMMKAQP-MWLCHTKSSA-N 1 0 398.692 2.411 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC[C@H]1[NH3+] ZINC000884270313 653870052 /nfs/dbraw/zinc/87/00/52/653870052.db2.gz KJOSDCKRVHOEOV-VCTAVGKDSA-N 1 0 381.270 2.116 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884300425 653871304 /nfs/dbraw/zinc/87/13/04/653871304.db2.gz ZTXGUKGDPLTJCP-UKRRQHHQSA-N 1 0 381.270 2.179 20 0 GEADRO COC(=O)c1cc(C[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)cs1 ZINC000896277034 653872088 /nfs/dbraw/zinc/87/20/88/653872088.db2.gz PFGOHMXVWGCZFU-UHFFFAOYSA-N 1 0 382.507 2.216 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)NCC1(c2ccc(Br)cc2)CC1 ZINC000896288151 653872699 /nfs/dbraw/zinc/87/26/99/653872699.db2.gz AMXLWKUMDXKUPO-UHFFFAOYSA-N 1 0 396.329 2.237 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000884329089 653872756 /nfs/dbraw/zinc/87/27/56/653872756.db2.gz GAYBXPLXFXRLSD-ZACQAIPSSA-N 1 0 393.281 2.050 20 0 GEADRO Cc1ccc(CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1Br ZINC000896287200 653872810 /nfs/dbraw/zinc/87/28/10/653872810.db2.gz BIKYZCGKCJZLAT-UHFFFAOYSA-N 1 0 383.334 2.146 20 0 GEADRO C[NH+](C)CCC1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000867060980 653873139 /nfs/dbraw/zinc/87/31/39/653873139.db2.gz RRXVHLWKPMLTBG-DEOSSOPVSA-N 1 0 391.534 2.191 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)NCCC3SCCS3)CC2)CC1 ZINC000823602586 653873695 /nfs/dbraw/zinc/87/36/95/653873695.db2.gz ZLBKLIDFRHATCS-UHFFFAOYSA-N 1 0 386.631 2.384 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000884348037 653873748 /nfs/dbraw/zinc/87/37/48/653873748.db2.gz MJQAXHQGHGFYGP-HUUCEWRRSA-N 1 0 387.933 2.226 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)Cc2sc(CC(F)(F)F)nc2C)CC1 ZINC000884381584 653874768 /nfs/dbraw/zinc/87/47/68/653874768.db2.gz KODDVARFJIZHFQ-UHFFFAOYSA-N 1 0 379.448 2.326 20 0 GEADRO Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884390314 653875134 /nfs/dbraw/zinc/87/51/34/653875134.db2.gz SQQBDBVUQCXCEK-PBHICJAKSA-N 1 0 390.281 2.341 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H]([NH3+])CC3CC3)C[C@H]1C2(Br)Br ZINC000884399762 653875410 /nfs/dbraw/zinc/87/54/10/653875410.db2.gz NFLQIIBGUDJHIO-UMNHJUIQSA-N 1 0 380.124 2.468 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000884399218 653875422 /nfs/dbraw/zinc/87/54/22/653875422.db2.gz YSBRFNYUXIZOHO-CVEARBPZSA-N 1 0 382.599 2.070 20 0 GEADRO COC(=O)C(C)(C)n1ccc(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884410786 653875752 /nfs/dbraw/zinc/87/57/52/653875752.db2.gz SZNLOUNKDXHUQR-CYBMUJFWSA-N 1 0 395.257 2.192 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000884405462 653875797 /nfs/dbraw/zinc/87/57/97/653875797.db2.gz QPZPOTIQFCLZOL-UKRRQHHQSA-N 1 0 395.276 2.126 20 0 GEADRO COC(=O)C(C)(C)n1cc(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)cn1 ZINC000884414476 653876191 /nfs/dbraw/zinc/87/61/91/653876191.db2.gz SVVBHROFQOZIAU-ZDUSSCGKSA-N 1 0 395.257 2.192 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cnn3cccc(Br)c13)CCO2 ZINC000823674408 653876581 /nfs/dbraw/zinc/87/65/81/653876581.db2.gz WFISGZNACCCDRN-UHFFFAOYSA-N 1 0 393.285 2.034 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2nn3c(c2Br)CCC3)CC[C@H]1C(F)(F)F ZINC000884433237 653876552 /nfs/dbraw/zinc/87/65/52/653876552.db2.gz DIJSWHMRPDJYQD-RKDXNWHRSA-N 1 0 395.223 2.191 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000823727531 653877778 /nfs/dbraw/zinc/87/77/78/653877778.db2.gz GETJCELHAYPRHP-XOYOTBSWSA-N 1 0 393.325 2.298 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000793494535 653879254 /nfs/dbraw/zinc/87/92/54/653879254.db2.gz ZDFZCBUZZZDQFW-NSHDSACASA-N 1 0 392.541 2.308 20 0 GEADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C[C@H]1Oc1ccccc1 ZINC000793528173 653879717 /nfs/dbraw/zinc/87/97/17/653879717.db2.gz SERBXSYDRVHITJ-IAGOWNOFSA-N 1 0 384.567 2.201 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000846015386 653880877 /nfs/dbraw/zinc/88/08/77/653880877.db2.gz MLPAHIDLCBHCTF-UHFFFAOYSA-N 1 0 385.306 2.185 20 0 GEADRO C[NH+](C)CCCN(C(=O)[C@@H](F)CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000793621117 653881456 /nfs/dbraw/zinc/88/14/56/653881456.db2.gz IKFHSIKBAYHEHT-IRXDYDNUSA-N 1 0 376.538 2.262 20 0 GEADRO COc1cc(F)cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000823848537 653881646 /nfs/dbraw/zinc/88/16/46/653881646.db2.gz XLUGOBVDWFFQBG-UHFFFAOYSA-N 1 0 384.395 2.486 20 0 GEADRO C[C@@H](NC(=O)C(C)(C)Oc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896534920 653883194 /nfs/dbraw/zinc/88/31/94/653883194.db2.gz XCFFLVISDBCIIM-CZUORRHYSA-N 1 0 398.345 2.357 20 0 GEADRO C[C@@H](NC(=O)C(C)(C)c1ccccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896541079 653883572 /nfs/dbraw/zinc/88/35/72/653883572.db2.gz ICNKPGWUMCSBGA-CZUORRHYSA-N 1 0 382.346 2.477 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(Cn3c(=O)oc4cc(F)c(Br)cc43)C2)C1 ZINC000793746034 653884253 /nfs/dbraw/zinc/88/42/53/653884253.db2.gz PVIBIDHRBXCYBB-INIZCTEOSA-N 1 0 384.249 2.481 20 0 GEADRO Cc1ccc(CCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000896546958 653884651 /nfs/dbraw/zinc/88/46/51/653884651.db2.gz AUQYBGFNFVWRIR-WMLDXEAASA-N 1 0 382.346 2.441 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(Cn3c(=O)oc4cc(Br)c(F)cc43)C2)C1 ZINC000793769851 653884885 /nfs/dbraw/zinc/88/48/85/653884885.db2.gz USLOOWGWYQDWSI-INIZCTEOSA-N 1 0 384.249 2.481 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)C(F)(F)F)n1 ZINC000824083703 653885669 /nfs/dbraw/zinc/88/56/69/653885669.db2.gz AXORVNZRHPQACO-FIXISWKDSA-N 1 0 379.448 2.436 20 0 GEADRO C[C@H](NC(=O)CCc1ccc(Br)cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896563564 653885837 /nfs/dbraw/zinc/88/58/37/653885837.db2.gz LJPLWEQUSJWUMO-BLLLJJGKSA-N 1 0 386.309 2.271 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000884717494 653885842 /nfs/dbraw/zinc/88/58/42/653885842.db2.gz CKWGPWMRPNDABL-ONGXEEELSA-N 1 0 377.794 2.232 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000884720501 653885854 /nfs/dbraw/zinc/88/58/54/653885854.db2.gz OKOJPHKFPFGAHJ-SNVBAGLBSA-N 1 0 380.798 2.004 20 0 GEADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000824101563 653886092 /nfs/dbraw/zinc/88/60/92/653886092.db2.gz ZJSWFZKNLPAYNI-BETUJISGSA-N 1 0 376.400 2.337 20 0 GEADRO C[C@@H](NC(=O)CCCOc1ccccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896570926 653886137 /nfs/dbraw/zinc/88/61/37/653886137.db2.gz NGOCIPRZIDUXTI-GDBMZVCRSA-N 1 0 398.345 2.359 20 0 GEADRO C[C@H](NC(=O)CCCOc1cccc(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896579819 653886546 /nfs/dbraw/zinc/88/65/46/653886546.db2.gz IVITUZYTLZTNKM-WMLDXEAASA-N 1 0 398.345 2.359 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000884751640 653887638 /nfs/dbraw/zinc/88/76/38/653887638.db2.gz NJPSDZYWQZZECS-DZGCQCFKSA-N 1 0 386.539 2.005 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cccc3ccc(Cl)nc32)CC1 ZINC000867164055 653887906 /nfs/dbraw/zinc/88/79/06/653887906.db2.gz KDFXSNGOPZWGPQ-UHFFFAOYSA-N 1 0 383.901 2.234 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000896626391 653888317 /nfs/dbraw/zinc/88/83/17/653888317.db2.gz SVPNCIVNBLIPKB-INIZCTEOSA-N 1 0 395.297 2.331 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2cc(Br)cn3ncnc23)C[C@@H]1C(C)(C)C ZINC000824221740 653888454 /nfs/dbraw/zinc/88/84/54/653888454.db2.gz MDHLPGDGFVFNDP-CYBMUJFWSA-N 1 0 380.290 2.294 20 0 GEADRO Cc1c(Br)cccc1CCNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000896650656 653889172 /nfs/dbraw/zinc/88/91/72/653889172.db2.gz KFPOZXYJXXQVRS-UHFFFAOYSA-N 1 0 384.318 2.056 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)C2 ZINC000884782790 653889440 /nfs/dbraw/zinc/88/94/40/653889440.db2.gz LKXLKNYJKZHOIA-UHFFFAOYSA-N 1 0 399.303 2.110 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000884774972 653889558 /nfs/dbraw/zinc/88/95/58/653889558.db2.gz WBOJEFDMLQYNAX-UHFFFAOYSA-N 1 0 384.318 2.351 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000884786181 653889825 /nfs/dbraw/zinc/88/98/25/653889825.db2.gz LFQKCGQPJOHIDW-RKDXNWHRSA-N 1 0 377.329 2.104 20 0 GEADRO Cc1nc(N[C@@H](CCO)C(F)(F)F)cc(N[C@H](CCO)C(F)(F)F)[nH+]1 ZINC000884835551 653890688 /nfs/dbraw/zinc/89/06/88/653890688.db2.gz UPJKGXXQDJLGBY-DTORHVGOSA-N 1 0 376.301 2.235 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000824295013 653890817 /nfs/dbraw/zinc/89/08/17/653890817.db2.gz CEFKUNPACUATCM-GFCCVEGCSA-N 1 0 378.416 2.440 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c(Br)n1 ZINC000846206013 653891437 /nfs/dbraw/zinc/89/14/37/653891437.db2.gz NSZSDUQLQRJRDO-UHFFFAOYSA-N 1 0 383.290 2.035 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC000846229709 653892085 /nfs/dbraw/zinc/89/20/85/653892085.db2.gz DFKULFIJCUNNRR-WDMOLILDSA-N 1 0 394.324 2.295 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000846264697 653893871 /nfs/dbraw/zinc/89/38/71/653893871.db2.gz PLLSFIXWBNDYOM-SJORKVTESA-N 1 0 389.924 2.459 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cccc(-c3nccs3)c2)CC1 ZINC000867209178 653894917 /nfs/dbraw/zinc/89/49/17/653894917.db2.gz IHELRDLUPYVZFB-UHFFFAOYSA-N 1 0 381.523 2.156 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCc3cc(Br)c(F)cc3C2)C1 ZINC000884924748 653895366 /nfs/dbraw/zinc/89/53/66/653895366.db2.gz JHPOFGGOTVVDJB-QGZVFWFLSA-N 1 0 385.277 2.320 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884954925 653897808 /nfs/dbraw/zinc/89/78/08/653897808.db2.gz LZNNHWCGFYJPDN-CHWSQXEVSA-N 1 0 389.315 2.363 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974018 653902224 /nfs/dbraw/zinc/90/22/24/653902224.db2.gz KQCQYIMYVSGVIK-OAHLLOKOSA-N 1 0 396.329 2.302 20 0 GEADRO CC[C@H](C)[C@@H](C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)OC ZINC000824596071 653902545 /nfs/dbraw/zinc/90/25/45/653902545.db2.gz FVBMCSJCMJDBLM-NJZAAPMLSA-N 1 0 377.938 2.355 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000867250597 653902729 /nfs/dbraw/zinc/90/27/29/653902729.db2.gz KKDZWCQYJIWJQR-UHFFFAOYSA-N 1 0 377.229 2.304 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884977344 653902750 /nfs/dbraw/zinc/90/27/50/653902750.db2.gz PWKBWWNCELOLLV-LLVKDONJSA-N 1 0 377.794 2.172 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(Cl)s1 ZINC000846645565 653905507 /nfs/dbraw/zinc/90/55/07/653905507.db2.gz KHTQRMOVQCSRDP-LLVKDONJSA-N 1 0 376.910 2.258 20 0 GEADRO CN1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)CC[N@H+](C)CC1 ZINC000897093794 653907651 /nfs/dbraw/zinc/90/76/51/653907651.db2.gz IDAMOOJYKUJTPQ-UHFFFAOYSA-N 1 0 387.713 2.057 20 0 GEADRO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824827189 653909678 /nfs/dbraw/zinc/90/96/78/653909678.db2.gz AXQXURVVMHZUII-GHMZBOCLSA-N 1 0 378.826 2.479 20 0 GEADRO CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccns1 ZINC000885073533 653910308 /nfs/dbraw/zinc/91/03/08/653910308.db2.gz HDLPWPCSXWLVJJ-HOTGVXAUSA-N 1 0 386.587 2.101 20 0 GEADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000897219931 653911012 /nfs/dbraw/zinc/91/10/12/653911012.db2.gz QITNMRJYMQKNBD-KGLIPLIRSA-N 1 0 398.301 2.056 20 0 GEADRO CC(C)(C)Oc1nc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ncc1Br ZINC000897221679 653911274 /nfs/dbraw/zinc/91/12/74/653911274.db2.gz ODJIHIJBUVCNSW-UONOGXRCSA-N 1 0 399.333 2.452 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000867299822 653911468 /nfs/dbraw/zinc/91/14/68/653911468.db2.gz ZQMPVVNPKSSSJW-NSHDSACASA-N 1 0 379.320 2.075 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000867307199 653912553 /nfs/dbraw/zinc/91/25/53/653912553.db2.gz XGEOCJRQGRTXCC-SJCJKPOMSA-N 1 0 394.313 2.393 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000867308790 653912934 /nfs/dbraw/zinc/91/29/34/653912934.db2.gz MZYLECSEFVEHLT-BXKDBHETSA-N 1 0 395.294 2.310 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1Br ZINC000867310284 653913328 /nfs/dbraw/zinc/91/33/28/653913328.db2.gz YCKFQKCRZQFHIJ-BMIGLBTASA-N 1 0 389.315 2.365 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000897345865 653916905 /nfs/dbraw/zinc/91/69/05/653916905.db2.gz NURUSZIDLBGBIW-HNNXBMFYSA-N 1 0 395.297 2.379 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2cscc2Cl)CC[C@H]1C(F)(F)F ZINC000885235521 653918241 /nfs/dbraw/zinc/91/82/41/653918241.db2.gz NNQLZMAPDMPRKC-WCBMZHEXSA-N 1 0 383.823 2.003 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000825188793 653919974 /nfs/dbraw/zinc/91/99/74/653919974.db2.gz PEVGWCDHEGDGQY-STQMWFEESA-N 1 0 387.933 2.226 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000825187632 653920092 /nfs/dbraw/zinc/92/00/92/653920092.db2.gz BLMIAYBYOQSDRQ-OLZOCXBDSA-N 1 0 387.933 2.228 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000885249595 653920313 /nfs/dbraw/zinc/92/03/13/653920313.db2.gz WOMFMFFFUXDHBQ-XJKCOSOUSA-N 1 0 384.307 2.238 20 0 GEADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867354344 653920680 /nfs/dbraw/zinc/92/06/80/653920680.db2.gz ZRUSYNYVQHQLRJ-QHCPKHFHSA-N 1 0 379.523 2.237 20 0 GEADRO C[C@H]([NH2+]CCC1(C)OCCO1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794811945 653921012 /nfs/dbraw/zinc/92/10/12/653921012.db2.gz AQYSAZUAUHJDDW-VIFPVBQESA-N 1 0 383.297 2.445 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000897436468 653921719 /nfs/dbraw/zinc/92/17/19/653921719.db2.gz ZCZSTKKDSRJNIT-ZDUSSCGKSA-N 1 0 384.322 2.334 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000825269610 653923258 /nfs/dbraw/zinc/92/32/58/653923258.db2.gz SAWVIWGZTAXFJL-CQSZACIVSA-N 1 0 387.933 2.287 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897481594 653923656 /nfs/dbraw/zinc/92/36/56/653923656.db2.gz 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Cn1nc2c(c1C[NH2+][C@@H]1CCc3ncc(Br)n3C1)CSCC2 ZINC000898722174 653982396 /nfs/dbraw/zinc/98/23/96/653982396.db2.gz ZCKCFGJSBZSBOJ-SNVBAGLBSA-N 1 0 382.331 2.273 20 0 GEADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723945 653982645 /nfs/dbraw/zinc/98/26/45/653982645.db2.gz KNGSXDFKECICQI-OLZOCXBDSA-N 1 0 398.326 2.412 20 0 GEADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cnc(N3CCCC3)nc1)CC2 ZINC000898723268 653982759 /nfs/dbraw/zinc/98/27/59/653982759.db2.gz DCMNXQFJAJFLAR-CYBMUJFWSA-N 1 0 377.290 2.140 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc2c1OCO2 ZINC000898727322 653983093 /nfs/dbraw/zinc/98/30/93/653983093.db2.gz UXRYDNKBDHWWEP-LLVKDONJSA-N 1 0 380.242 2.488 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000898725325 653983095 /nfs/dbraw/zinc/98/30/95/653983095.db2.gz SRHJFVLZLRRCDR-SJORKVTESA-N 1 0 395.297 2.070 20 0 GEADRO CCCN(C(=O)c1cnn(C(C)C)c1I)[C@@H]1CC[NH2+]C1 ZINC000867962434 654011200 /nfs/dbraw/zinc/01/12/00/654011200.db2.gz BASJKUSNTALANM-LLVKDONJSA-N 1 0 390.269 2.283 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccccc3I)CC[C@@H]21 ZINC000827297717 653985320 /nfs/dbraw/zinc/98/53/20/653985320.db2.gz GYRIIZKLXVQMGT-ZFWWWQNUSA-N 1 0 384.261 2.386 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000848540933 653986883 /nfs/dbraw/zinc/98/68/83/653986883.db2.gz JZKNGTLEIKFABM-QGZVFWFLSA-N 1 0 390.285 2.500 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cn2ccccc2n1 ZINC000848533580 653986914 /nfs/dbraw/zinc/98/69/14/653986914.db2.gz SRMXSNNOLKPOBK-LLVKDONJSA-N 1 0 376.404 2.299 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)CC[C@@H]21 ZINC000827345517 653987129 /nfs/dbraw/zinc/98/71/29/653987129.db2.gz KBKJOSZVSWWNOY-JSGCOSHPSA-N 1 0 376.400 2.146 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)CC[C@H]21 ZINC000827345519 653987145 /nfs/dbraw/zinc/98/71/45/653987145.db2.gz KBKJOSZVSWWNOY-TZMCWYRMSA-N 1 0 376.400 2.146 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000796125810 653987240 /nfs/dbraw/zinc/98/72/40/653987240.db2.gz JPDZSRVVOXTOJT-WBMJQRKESA-N 1 0 378.897 2.116 20 0 GEADRO [NH3+][C@H](CC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)C1CC1 ZINC000827351881 653987557 /nfs/dbraw/zinc/98/75/57/653987557.db2.gz RNQAXVBYZQUNJZ-CQSZACIVSA-N 1 0 395.301 2.149 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000848567484 653987785 /nfs/dbraw/zinc/98/77/85/653987785.db2.gz WOQGMIAPDMXIJM-WFASDCNBSA-N 1 0 382.917 2.320 20 0 GEADRO CN(CC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2)C(=O)c1ccc(Br)o1 ZINC000898844700 653987960 /nfs/dbraw/zinc/98/79/60/653987960.db2.gz KGJJLMZTLIXCFX-STQMWFEESA-N 1 0 398.301 2.103 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCO[C@H](c2ccccc2Br)C1)C(F)(F)F ZINC000848594469 653988340 /nfs/dbraw/zinc/98/83/40/653988340.db2.gz CKBDITUYGZNZQL-NWDGAFQWSA-N 1 0 396.207 2.422 20 0 GEADRO O=c1[nH]c(Cc2noc(CC[NH2+]C3CC3)n2)nc2ccc(Br)cc12 ZINC000848624145 653989213 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20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868250929 654025151 /nfs/dbraw/zinc/02/51/51/654025151.db2.gz KJKULTSNGZRNAB-RNFRBKRXSA-N 1 0 393.079 2.002 20 0 GEADRO CN1CC[NH+](C2CCN(C(=O)c3cc(F)ccc3Br)CC2)CC1 ZINC000827474276 653994007 /nfs/dbraw/zinc/99/40/07/653994007.db2.gz WHTDCKTWOKCWIZ-UHFFFAOYSA-N 1 0 384.293 2.440 20 0 GEADRO CC[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cccc(Br)c1 ZINC000886696311 653994633 /nfs/dbraw/zinc/99/46/33/653994633.db2.gz LGVKNROWMFFTNE-CQSZACIVSA-N 1 0 390.285 2.474 20 0 GEADRO C[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1ccccc1Br ZINC000886694085 653994657 /nfs/dbraw/zinc/99/46/57/653994657.db2.gz NYOOLYUGDGVSFL-LLVKDONJSA-N 1 0 376.258 2.084 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1nn2c(c1Br)CCC2 ZINC000899019124 653995523 /nfs/dbraw/zinc/99/55/23/653995523.db2.gz GFRBJVTVGRLZIK-ZDUSSCGKSA-N 1 0 381.318 2.444 20 0 GEADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000796295827 653995580 /nfs/dbraw/zinc/99/55/80/653995580.db2.gz BMNCQKWQVILBQG-UHFFFAOYSA-N 1 0 381.361 2.109 20 0 GEADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c(Cl)c1 ZINC000886734926 653996465 /nfs/dbraw/zinc/99/64/65/653996465.db2.gz TVXJCAPKTHWHDF-CYBMUJFWSA-N 1 0 387.933 2.379 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Br)c(C(F)(F)F)cc1F ZINC000827536324 653996594 /nfs/dbraw/zinc/99/65/94/653996594.db2.gz SQUWLSWFOZFQKN-MRVPVSSYSA-N 1 0 399.182 2.403 20 0 GEADRO Cc1csc(=O)n1CCC(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899049771 653996787 /nfs/dbraw/zinc/99/67/87/653996787.db2.gz GXDOEANVPLDDPT-UHFFFAOYSA-N 1 0 379.873 2.272 20 0 GEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2c(C)[nH]nc2Br)CC1 ZINC000827620630 654000682 /nfs/dbraw/zinc/00/06/82/654000682.db2.gz MYQVNHFVMSBLNI-UHFFFAOYSA-N 1 0 385.306 2.198 20 0 GEADRO CC(C)([NH2+]C[C@H](O)COc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000796592922 654000871 /nfs/dbraw/zinc/00/08/71/654000871.db2.gz PGZOYRNJJOKBMN-AWEZNQCLSA-N 1 0 385.302 2.179 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ncc(Br)s2)cc1 ZINC000867862831 654001011 /nfs/dbraw/zinc/00/10/11/654001011.db2.gz HEUPMVVNQTUWAK-UHFFFAOYSA-N 1 0 390.328 2.446 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1F)C1C[NH+](C2CCOCC2)C1 ZINC000899137332 654000958 /nfs/dbraw/zinc/00/09/58/654000958.db2.gz CWJDTCKXMSDMLX-UHFFFAOYSA-N 1 0 389.240 2.454 20 0 GEADRO O=C(NCc1cc(F)c(Br)cc1F)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899137651 654001098 /nfs/dbraw/zinc/00/10/98/654001098.db2.gz MAABZPIUXWEMKK-LLVKDONJSA-N 1 0 375.213 2.064 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cn(C)nc3Br)C2)cc1 ZINC000899172965 654002592 /nfs/dbraw/zinc/00/25/92/654002592.db2.gz INZHXQYLHFTCTN-CQSZACIVSA-N 1 0 377.286 2.495 20 0 GEADRO O=c1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)nc2ccc(Br)cn12 ZINC000886828154 654002844 /nfs/dbraw/zinc/00/28/44/654002844.db2.gz YNWINEGSYKGCEA-DOMZBBRYSA-N 1 0 378.270 2.458 20 0 GEADRO O=C(N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)C1C[NH+](C2CCOCC2)C1 ZINC000899185223 654003166 /nfs/dbraw/zinc/00/31/66/654003166.db2.gz XFHHKBJKMCIXSJ-RCCFBDPRSA-N 1 0 391.309 2.314 20 0 GEADRO C[C@H]1CN(C(=[NH2+])NCCC(=O)N(C)Cc2ccccc2Br)CCO1 ZINC000849095407 654003921 /nfs/dbraw/zinc/00/39/21/654003921.db2.gz WORLCQKHANQMAE-ZDUSSCGKSA-N 1 0 397.317 2.043 20 0 GEADRO NS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)s1 ZINC000849083145 654003930 /nfs/dbraw/zinc/00/39/30/654003930.db2.gz JTTJSCQVZMDMNQ-UHFFFAOYSA-N 1 0 394.400 2.431 20 0 GEADRO CCNC(=[NH2+])NC[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000849095679 654004184 /nfs/dbraw/zinc/00/41/84/654004184.db2.gz JDBAIGAVRMWXFR-CQSZACIVSA-N 1 0 386.281 2.389 20 0 GEADRO C[N@H+](CC(=O)NC1(c2ncc(Br)cn2)CCC1)[C@H]1CCSC1 ZINC000886839190 654004332 /nfs/dbraw/zinc/00/43/32/654004332.db2.gz XIGXSAZQVMWLRB-LBPRGKRZSA-N 1 0 385.331 2.172 20 0 GEADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000886891933 654007220 /nfs/dbraw/zinc/00/72/20/654007220.db2.gz LHYUKABMTWKXJL-GXTWGEPZSA-N 1 0 376.906 2.126 20 0 GEADRO CCOc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1OCC ZINC000886895311 654007505 /nfs/dbraw/zinc/00/75/05/654007505.db2.gz HCRFJSOEUJHDJB-GFCCVEGCSA-N 1 0 378.441 2.007 20 0 GEADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886897579 654007766 /nfs/dbraw/zinc/00/77/66/654007766.db2.gz BAGDLMPZZMHGBF-SNVBAGLBSA-N 1 0 383.258 2.281 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1F ZINC000886897989 654008013 /nfs/dbraw/zinc/00/80/13/654008013.db2.gz OJJMBCVAOVJYEG-MRVPVSSYSA-N 1 0 387.221 2.111 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)c(F)c1 ZINC000886897903 654008039 /nfs/dbraw/zinc/00/80/39/654008039.db2.gz LQGWIMIVTLTQEC-MRVPVSSYSA-N 1 0 376.322 2.368 20 0 GEADRO Cc1cc(Br)sc1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886897720 654008073 /nfs/dbraw/zinc/00/80/73/654008073.db2.gz GLRYQQONKFFADP-MRVPVSSYSA-N 1 0 389.287 2.342 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(NC(=S)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000849267297 654009418 /nfs/dbraw/zinc/00/94/18/654009418.db2.gz PKWKULFPILFFBZ-CQSZACIVSA-N 1 0 384.571 2.096 20 0 GEADRO [NH3+][C@H](C(=O)NCCCOCC1CCOCC1)c1cccc(Br)c1 ZINC000867954024 654010426 /nfs/dbraw/zinc/01/04/26/654010426.db2.gz FXACDVFHFWXMAE-INIZCTEOSA-N 1 0 385.302 2.398 20 0 GEADRO CC(C)n1ncc(C(=O)N(C)C2CCC([NH3+])CC2)c1I ZINC000867960595 654010775 /nfs/dbraw/zinc/01/07/75/654010775.db2.gz NPWXWVFQPFPKRE-UHFFFAOYSA-N 1 0 390.269 2.411 20 0 GEADRO CCCN(C(=O)[C@H](NC(C)=O)c1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000867963047 654011131 /nfs/dbraw/zinc/01/11/31/654011131.db2.gz JUAOXSSJAACYDD-JKSUJKDBSA-N 1 0 382.302 2.227 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000867966291 654011389 /nfs/dbraw/zinc/01/13/89/654011389.db2.gz NPHMUJVWQOGQRI-XZJROXQQSA-N 1 0 382.302 2.355 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCCC[C@@H]2CC[NH3+])c1I ZINC000867971555 654011971 /nfs/dbraw/zinc/01/19/71/654011971.db2.gz RLOQWOYIUPBCCF-LLVKDONJSA-N 1 0 390.269 2.412 20 0 GEADRO C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000868009563 654013995 /nfs/dbraw/zinc/01/39/95/654013995.db2.gz GEQOUKVXJLAIBP-JTQLQIEISA-N 1 0 388.331 2.087 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ncc(Br)s2)C[C@H](C)O1 ZINC000868022511 654014621 /nfs/dbraw/zinc/01/46/21/654014621.db2.gz QPKRDEBQMFNLOZ-PHIMTYICSA-N 1 0 391.335 2.204 20 0 GEADRO COC[C@@H](NC(=O)C1(COC)CC[NH2+]CC1)c1cccc(Br)c1 ZINC000868024472 654014919 /nfs/dbraw/zinc/01/49/19/654014919.db2.gz NWPRHCOHIQDLAU-OAHLLOKOSA-N 1 0 385.302 2.269 20 0 GEADRO COC[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000868024484 654014975 /nfs/dbraw/zinc/01/49/75/654014975.db2.gz ODUVXQNKIWSCNA-OLZOCXBDSA-N 1 0 377.229 2.498 20 0 GEADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000849348810 654015211 /nfs/dbraw/zinc/01/52/11/654015211.db2.gz CXSUKCHYLQZPFD-VXGBXAGGSA-N 1 0 388.452 2.247 20 0 GEADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000868031533 654015203 /nfs/dbraw/zinc/01/52/03/654015203.db2.gz KATAEWSPPUXGAX-WFASDCNBSA-N 1 0 390.285 2.244 20 0 GEADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1Br ZINC000887035197 654015938 /nfs/dbraw/zinc/01/59/38/654015938.db2.gz INVYSXKYLAFXCK-SNVBAGLBSA-N 1 0 390.228 2.057 20 0 GEADRO Cn1ncc(I)c1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000868052445 654016153 /nfs/dbraw/zinc/01/61/53/654016153.db2.gz QMGMPPJRWVTQRN-ZDUSSCGKSA-N 1 0 398.248 2.121 20 0 GEADRO C[C@@]1([NH3+])CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000868072383 654017092 /nfs/dbraw/zinc/01/70/92/654017092.db2.gz CDEAQILXORYTKF-GOSISDBHSA-N 1 0 394.313 2.251 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1Br ZINC000868159512 654021436 /nfs/dbraw/zinc/02/14/36/654021436.db2.gz XZULUPIUMVTOCN-DGCLKSJQSA-N 1 0 381.274 2.167 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000828103226 654022071 /nfs/dbraw/zinc/02/20/71/654022071.db2.gz DXHPBMXCMCAGDY-KRWDZBQOSA-N 1 0 398.276 2.328 20 0 GEADRO C[C@@]12CCN(C(=O)C(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)C[C@@H]1C2(Cl)Cl ZINC000868240413 654024635 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[NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000868288519 654027813 /nfs/dbraw/zinc/02/78/13/654027813.db2.gz CHBIGTMHKILWMS-UHFFFAOYSA-N 1 0 388.212 2.148 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC1(C[NH3+])CCCCC1 ZINC000868296643 654028349 /nfs/dbraw/zinc/02/83/49/654028349.db2.gz UYFFEZHKDDTJPA-UHFFFAOYSA-N 1 0 384.274 2.174 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)CC(F)(F)C(F)(F)F)CC1 ZINC000868297663 654028698 /nfs/dbraw/zinc/02/86/98/654028698.db2.gz GGASKJTYJLORPQ-UHFFFAOYSA-N 1 0 376.366 2.160 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000868306446 654029709 /nfs/dbraw/zinc/02/97/09/654029709.db2.gz XCMSLHUCSUYSKD-ZSBIGDGJSA-N 1 0 396.285 2.043 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1cc(Br)ccc1F ZINC000868306431 654029713 /nfs/dbraw/zinc/02/97/13/654029713.db2.gz WHRWEGLIFKFYCN-YHPBZONMSA-N 1 0 384.249 2.174 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868308472 654029986 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O=C(c1nc2ccc(Br)cn2n1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887406060 654033163 /nfs/dbraw/zinc/03/31/63/654033163.db2.gz YQMORIBBQHCEKW-INIZCTEOSA-N 1 0 378.274 2.098 20 0 GEADRO CC(C)n1ncc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1Br ZINC000868396317 654033930 /nfs/dbraw/zinc/03/39/30/654033930.db2.gz IHELBUZLXKLNET-UHFFFAOYSA-N 1 0 388.354 2.182 20 0 GEADRO [NH3+][C@@H]1CCCN(Cc2cn(CC(=O)Nc3ccc(Cl)cc3Cl)nn2)C1 ZINC000887432493 654034578 /nfs/dbraw/zinc/03/45/78/654034578.db2.gz OOSUAMGAKVYWRE-GFCCVEGCSA-N 1 0 383.283 2.147 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868420792 654034985 /nfs/dbraw/zinc/03/49/85/654034985.db2.gz YQJRGQNMOKHRJK-JKSUJKDBSA-N 1 0 394.313 2.069 20 0 GEADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3ccc(Br)c(F)c3F)nn2)C1 ZINC000887449521 654035003 /nfs/dbraw/zinc/03/50/03/654035003.db2.gz YWGNTHQPKBSDEV-LLVKDONJSA-N 1 0 386.244 2.290 20 0 GEADRO CN(CCC[NH+](C)C)CCn1cc(-c2csc(CC(F)(F)F)n2)nn1 ZINC000887488731 654036585 /nfs/dbraw/zinc/03/65/85/654036585.db2.gz BKZNTULYEWJLFU-UHFFFAOYSA-N 1 0 376.452 2.390 20 0 GEADRO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)cc(Cl)n1 ZINC000797602044 654037144 /nfs/dbraw/zinc/03/71/44/654037144.db2.gz HGQBAJARGGZPPX-UHFFFAOYSA-N 1 0 387.933 2.106 20 0 GEADRO CCOC(=O)CS[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)C(F)(F)F ZINC000828503903 654038147 /nfs/dbraw/zinc/03/81/47/654038147.db2.gz KYKHTMFGJPSGER-STQMWFEESA-N 1 0 382.448 2.347 20 0 GEADRO Cn1nccc1-c1nc(-c2cn(CCC[NH+]3CCSCC3)nn2)cs1 ZINC000887532714 654038347 /nfs/dbraw/zinc/03/83/47/654038347.db2.gz QDGYAQCVAGCAKY-UHFFFAOYSA-N 1 0 375.527 2.241 20 0 GEADRO CC1=C(Br)CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000797697859 654038476 /nfs/dbraw/zinc/03/84/76/654038476.db2.gz FCZSDWYBPNHTSV-UHFFFAOYSA-N 1 0 379.302 2.348 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000849453772 654039368 /nfs/dbraw/zinc/03/93/68/654039368.db2.gz BKFLAJNIXFWRLW-HNNXBMFYSA-N 1 0 382.917 2.011 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)n1 ZINC000828517227 654039596 /nfs/dbraw/zinc/03/95/96/654039596.db2.gz CDJBGYZLUMWRRO-UHFFFAOYSA-N 1 0 381.318 2.005 20 0 GEADRO COC[C@H](NC(=O)COC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000828545008 654041371 /nfs/dbraw/zinc/04/13/71/654041371.db2.gz SFAAACYDSUTACD-INIZCTEOSA-N 1 0 385.302 2.364 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCCCn3cc(Br)cn3)CC[C@H]21 ZINC000868558885 654043499 /nfs/dbraw/zinc/04/34/99/654043499.db2.gz PSGIYKZQNZDIHG-DZGCQCFKSA-N 1 0 384.322 2.161 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1I ZINC000868565877 654043873 /nfs/dbraw/zinc/04/38/73/654043873.db2.gz JNSZFXBQUBBEPA-ZYHUDNBSSA-N 1 0 390.269 2.233 20 0 GEADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc(S(N)(=O)=O)oc1Cl ZINC000828607777 654044009 /nfs/dbraw/zinc/04/40/09/654044009.db2.gz DODLQOYTFVOIDU-UHFFFAOYSA-N 1 0 391.921 2.020 20 0 GEADRO CN1CC[NH+](C2CCN(C(=O)NCC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000868674804 654049611 /nfs/dbraw/zinc/04/96/11/654049611.db2.gz AAEJOOBKSKNPGR-MRXNPFEDSA-N 1 0 377.360 2.382 20 0 GEADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000798168560 654052381 /nfs/dbraw/zinc/05/23/81/654052381.db2.gz KXDBQKBITIQCTQ-JTQLQIEISA-N 1 0 396.504 2.358 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868807528 654057001 /nfs/dbraw/zinc/05/70/01/654057001.db2.gz RNYMVVVORUPKTG-RISCZKNCSA-N 1 0 383.290 2.088 20 0 GEADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000900274693 654057382 /nfs/dbraw/zinc/05/73/82/654057382.db2.gz UVBAPGLTSNHLFA-UHFFFAOYSA-N 1 0 385.295 2.109 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000798292149 654057922 /nfs/dbraw/zinc/05/79/22/654057922.db2.gz XPOFJIBYTKIBEH-UHFFFAOYSA-N 1 0 378.826 2.463 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000798321673 654058646 /nfs/dbraw/zinc/05/86/46/654058646.db2.gz RRMCSVVHJVCCCK-UHFFFAOYSA-N 1 0 387.933 2.180 20 0 GEADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000868868699 654059681 /nfs/dbraw/zinc/05/96/81/654059681.db2.gz KJRHHAUDOUAEBU-MRXNPFEDSA-N 1 0 395.301 2.013 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2csc(I)n2)C1 ZINC000829201130 654062010 /nfs/dbraw/zinc/06/20/10/654062010.db2.gz CWVYAOCPEPNYLE-SECBINFHSA-N 1 0 379.267 2.304 20 0 GEADRO Cc1c(Br)cncc1C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829222367 654062743 /nfs/dbraw/zinc/06/27/43/654062743.db2.gz UVCJUJFWAOYZBN-UHFFFAOYSA-N 1 0 382.302 2.337 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000900412838 654062907 /nfs/dbraw/zinc/06/29/07/654062907.db2.gz NZBCNKFLKCWOHP-UHFFFAOYSA-N 1 0 398.345 2.360 20 0 GEADRO CCN(C(=O)NCCC1CC[NH+](C(C)C)CC1)[C@H](C)CS(=O)(=O)CC ZINC000868944461 654063412 /nfs/dbraw/zinc/06/34/12/654063412.db2.gz WZFNRBQLWOJXFK-MRXNPFEDSA-N 1 0 375.579 2.352 20 0 GEADRO O=C(Cc1c[nH]c2ccc(Br)cc12)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900442237 654064018 /nfs/dbraw/zinc/06/40/18/654064018.db2.gz OPERDVPMMYQLDR-GJZGRUSLSA-N 1 0 392.297 2.452 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)CNc1cc(C)[nH+]c(N)n1 ZINC000829335943 654064977 /nfs/dbraw/zinc/06/49/77/654064977.db2.gz KMEMQAGXPWNGGL-LLVKDONJSA-N 1 0 381.274 2.401 20 0 GEADRO C[NH+](C)CC1(NC(=O)c2ccc3ncc(I)n3c2)CCC1 ZINC000798575482 654068078 /nfs/dbraw/zinc/06/80/78/654068078.db2.gz FBYJWVSEMWEMCC-UHFFFAOYSA-N 1 0 398.248 2.153 20 0 GEADRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1cncc(Br)c1C ZINC000850193833 654068573 /nfs/dbraw/zinc/06/85/73/654068573.db2.gz NLZCWTHVGJSTHN-ZDUSSCGKSA-N 1 0 376.320 2.384 20 0 GEADRO O=C(OCCC[NH+]1CCCC1)c1cc(Br)ccc1-n1cnnn1 ZINC000850237010 654069688 /nfs/dbraw/zinc/06/96/88/654069688.db2.gz VKIWLPCXVYEBKB-UHFFFAOYSA-N 1 0 380.246 2.068 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2ccc(Br)cn2)C1 ZINC000869116547 654069839 /nfs/dbraw/zinc/06/98/39/654069839.db2.gz MRCBXMUTCHYEBI-INIZCTEOSA-N 1 0 399.333 2.486 20 0 GEADRO O=C(NCc1ccc(Br)cn1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000869120262 654070624 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Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850505089 654079699 /nfs/dbraw/zinc/07/96/99/654079699.db2.gz MKUYDICJLVQUIE-GFCCVEGCSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)nc1Br ZINC000850507110 654080214 /nfs/dbraw/zinc/08/02/14/654080214.db2.gz NEOMAJSJPUNGND-NSHDSACASA-N 1 0 383.290 2.080 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1C ZINC000900798996 654080792 /nfs/dbraw/zinc/08/07/92/654080792.db2.gz GIASPISYDDJZBT-WCQYABFASA-N 1 0 387.311 2.449 20 0 GEADRO C[C@H](NC(=O)c1[nH]c2ccccc2c1Br)[C@H]1C[N@H+](C)CCN1C ZINC000900800157 654081301 /nfs/dbraw/zinc/08/13/01/654081301.db2.gz BLBOZZRSBDUMNF-SMDDNHRTSA-N 1 0 379.302 2.295 20 0 GEADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900842342 654084024 /nfs/dbraw/zinc/08/40/24/654084024.db2.gz JOFHIDMHLBTPDW-WCQYABFASA-N 1 0 378.274 2.354 20 0 GEADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000850588767 654084203 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O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnc(Cl)c(Br)c1 ZINC000830002171 654090739 /nfs/dbraw/zinc/09/07/39/654090739.db2.gz DNNCLADDTDVCAN-NEPJUHHUSA-N 1 0 394.722 2.403 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850653685 654090896 /nfs/dbraw/zinc/09/08/96/654090896.db2.gz BHBCOEDPYNWAPY-GFCCVEGCSA-N 1 0 395.301 2.306 20 0 GEADRO O=C(Nc1ccc(Br)nc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850653721 654091334 /nfs/dbraw/zinc/09/13/34/654091334.db2.gz CQPPDYCGNKCOFU-CYBMUJFWSA-N 1 0 395.301 2.306 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cccnc1Br ZINC000850666312 654092042 /nfs/dbraw/zinc/09/20/42/654092042.db2.gz HQLCXYUTSLZNPQ-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO O=C(N[C@@H]1CCc2ncc(Br)n2C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000900925486 654093495 /nfs/dbraw/zinc/09/34/95/654093495.db2.gz YMPMISGVTLHVQF-OCCSQVGLSA-N 1 0 381.318 2.484 20 0 GEADRO CC(=O)N[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000869416782 654095393 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C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3cc(F)ccc3Br)C[C@@H]2C1 ZINC000916660459 654104143 /nfs/dbraw/zinc/10/41/43/654104143.db2.gz OTPSSOFSJQNVPW-YPMHNXCESA-N 1 0 391.306 2.302 20 0 GEADRO [NH3+]CCOc1ccc(NC(=O)N2CCn3ncc(Br)c3C2)cc1 ZINC000850753313 654104572 /nfs/dbraw/zinc/10/45/72/654104572.db2.gz BWUOWIMEDIDYDF-UHFFFAOYSA-N 1 0 380.246 2.031 20 0 GEADRO COC[C@@]1(CNC(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CCC[NH2+]1 ZINC000850754740 654105002 /nfs/dbraw/zinc/10/50/02/654105002.db2.gz VIDZAHPXGUWOHZ-HNNXBMFYSA-N 1 0 384.893 2.087 20 0 GEADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850754112 654105021 /nfs/dbraw/zinc/10/50/21/654105021.db2.gz JISMQEOWJLOTCV-IUCAKERBSA-N 1 0 384.893 2.432 20 0 GEADRO O=C(Nc1nc2ccc(Cl)nc2s1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000888795470 654105350 /nfs/dbraw/zinc/10/53/50/654105350.db2.gz JKTLWKJBHPYMIG-LLVKDONJSA-N 1 0 381.889 2.408 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)c2cc(Br)ccc21 ZINC000850821813 654107664 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C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000901255127 654117102 /nfs/dbraw/zinc/11/71/02/654117102.db2.gz IALRAPCXFLGOEA-LLVKDONJSA-N 1 0 387.311 2.307 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C)CC[N@H+](C)CC2)c(Br)c1 ZINC000888993784 654119065 /nfs/dbraw/zinc/11/90/65/654119065.db2.gz HCGHGLUTRWIOTM-HNNXBMFYSA-N 1 0 398.345 2.231 20 0 GEADRO O=S(=O)(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1c[nH]nc1Cl ZINC000830456622 654119433 /nfs/dbraw/zinc/11/94/33/654119433.db2.gz LXZBRWZSODYLTA-UHFFFAOYSA-N 1 0 384.889 2.016 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1cccnc1Br ZINC000869761839 654120666 /nfs/dbraw/zinc/12/06/66/654120666.db2.gz BBDBPKWRQQCQJB-UHFFFAOYSA-N 1 0 384.318 2.203 20 0 GEADRO CCc1n[nH]c(C(=O)N(CCOC)CC2CC[NH+](C)CC2)c1Br ZINC000869763144 654120784 /nfs/dbraw/zinc/12/07/84/654120784.db2.gz RVGYHFBMIMWRIU-UHFFFAOYSA-N 1 0 387.322 2.165 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869780969 654123378 /nfs/dbraw/zinc/12/33/78/654123378.db2.gz ZJRIVNQDGHEVBW-JTQLQIEISA-N 1 0 391.331 2.403 20 0 GEADRO CC[NH+](CC)CCCOC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000800076045 654127800 /nfs/dbraw/zinc/12/78/00/654127800.db2.gz HZPBQIWFOPHGLB-UHFFFAOYSA-N 1 0 376.906 2.236 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917652888 654129765 /nfs/dbraw/zinc/12/97/65/654129765.db2.gz ALEZUSQRXRMKMO-STQMWFEESA-N 1 0 375.897 2.372 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)c1 ZINC000800122328 654130472 /nfs/dbraw/zinc/13/04/72/654130472.db2.gz ZYBQEKPQEYQHOE-GFCCVEGCSA-N 1 0 391.331 2.361 20 0 GEADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(Cl)c(F)c3Cl)C2)CC1 ZINC000917898304 654137472 /nfs/dbraw/zinc/13/74/72/654137472.db2.gz IWTXLNVJSPDUAK-UHFFFAOYSA-N 1 0 396.315 2.000 20 0 GEADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3csc4ccc(Cl)cc43)C2)CC1 ZINC000917899394 654137506 /nfs/dbraw/zinc/13/75/06/654137506.db2.gz UNRFNLKKSFTZPC-UHFFFAOYSA-N 1 0 399.969 2.423 20 0 GEADRO C[C@H](CNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2)C[NH+](C)C ZINC000889441543 654143540 /nfs/dbraw/zinc/14/35/40/654143540.db2.gz QFCFDMBGRHDIBU-SECBINFHSA-N 1 0 385.262 2.099 20 0 GEADRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901730403 654144459 /nfs/dbraw/zinc/14/44/59/654144459.db2.gz XBEPCDABZSIHMW-NEPJUHHUSA-N 1 0 395.305 2.355 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000800472287 654146784 /nfs/dbraw/zinc/14/67/84/654146784.db2.gz JUFPDYGOTBFBNA-QWRGUYRKSA-N 1 0 389.240 2.249 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000918393801 654150120 /nfs/dbraw/zinc/15/01/20/654150120.db2.gz CJOZDZZJRJYTTO-ZDUSSCGKSA-N 1 0 387.933 2.193 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000918393844 654150142 /nfs/dbraw/zinc/15/01/42/654150142.db2.gz CRACSXFQHSUEBB-AWEZNQCLSA-N 1 0 387.933 2.195 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000870258453 654155822 /nfs/dbraw/zinc/15/58/22/654155822.db2.gz MZJOTHHCNOKLOG-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/16/70/75/654167075.db2.gz WVODURBJCQQWMA-ZDUSSCGKSA-N 1 0 378.217 2.024 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cc3nc(Cl)ccc3s2)C1 ZINC000918964325 654167229 /nfs/dbraw/zinc/16/72/29/654167229.db2.gz ZGGQOFOMWAYEAM-OAHLLOKOSA-N 1 0 389.930 2.027 20 0 GEADRO O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889750653 654167209 /nfs/dbraw/zinc/16/72/09/654167209.db2.gz QDJLOUBLOFLMFY-OLZOCXBDSA-N 1 0 383.279 2.312 20 0 GEADRO O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889750656 654167306 /nfs/dbraw/zinc/16/73/06/654167306.db2.gz QDJLOUBLOFLMFY-QWHCGFSZSA-N 1 0 383.279 2.312 20 0 GEADRO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC000889750567 654167328 /nfs/dbraw/zinc/16/73/28/654167328.db2.gz PQGVENBAWGUOKH-UONOGXRCSA-N 1 0 399.333 2.072 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851662817 654168130 /nfs/dbraw/zinc/16/81/30/654168130.db2.gz KQBMFYUDBVFVHO-KKZNHRDASA-N 1 0 383.128 2.261 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851667863 654168621 /nfs/dbraw/zinc/16/86/21/654168621.db2.gz QBVCLIWWFGXRDC-KKZNHRDASA-N 1 0 383.128 2.261 20 0 GEADRO O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756627 654169000 /nfs/dbraw/zinc/16/90/00/654169000.db2.gz PNGWWOLSFZXWTC-OLZOCXBDSA-N 1 0 377.794 2.425 20 0 GEADRO CC(C)(C)n1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)n1 ZINC000889760652 654169553 /nfs/dbraw/zinc/16/95/53/654169553.db2.gz HUUWZBFNZAHPQS-KGLIPLIRSA-N 1 0 399.333 2.072 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000889770260 654171406 /nfs/dbraw/zinc/17/14/06/654171406.db2.gz QTTQMZVDVUOKSY-HZPDHXFCSA-N 1 0 383.286 2.129 20 0 GEADRO O=C(c1sc(N2CCCC2)nc1Cl)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775436 654171750 /nfs/dbraw/zinc/17/17/50/654171750.db2.gz VKQWMMIRXHREKR-CHWSQXEVSA-N 1 0 384.933 2.068 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CC[C@H]1CC1(Cl)Cl)[C@H]1CCS(=O)(=O)C1 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2.033 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000851770826 654175500 /nfs/dbraw/zinc/17/55/00/654175500.db2.gz VGEZIQMEBRZOGG-GJZGRUSLSA-N 1 0 378.450 2.445 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000801078448 654176371 /nfs/dbraw/zinc/17/63/71/654176371.db2.gz KHOAFMTXQRZKRQ-CQSZACIVSA-N 1 0 379.302 2.394 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000801096913 654177651 /nfs/dbraw/zinc/17/76/51/654177651.db2.gz OFDASQDHOGYOLK-UHFFFAOYSA-N 1 0 387.322 2.110 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000851793471 654178512 /nfs/dbraw/zinc/17/85/12/654178512.db2.gz FDGNZXWVRKWVOX-AWEZNQCLSA-N 1 0 392.462 2.197 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000851806255 654180212 /nfs/dbraw/zinc/18/02/12/654180212.db2.gz LXFGLEDLAYTYEF-FMKPAKJESA-N 1 0 393.442 2.457 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000801173545 654180923 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C[C@@H]1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)[C@H](C)C[NH2+]1 ZINC000831546473 654190715 /nfs/dbraw/zinc/19/07/15/654190715.db2.gz YSNMXCCWPUEATO-VXGBXAGGSA-N 1 0 378.523 2.137 20 0 GEADRO O=C(Cc1ccc(Cl)cc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000831637509 654195632 /nfs/dbraw/zinc/19/56/32/654195632.db2.gz VXHZOCFAXMSJSU-AWEZNQCLSA-N 1 0 386.721 2.151 20 0 GEADRO C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)CSc1nnnn1CC(F)(F)F ZINC000870786368 654196206 /nfs/dbraw/zinc/19/62/06/654196206.db2.gz BRKGLMKCOYVGJK-WDEREUQCSA-N 1 0 381.424 2.134 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)c2csc(I)n2)CC1 ZINC000831876643 654215280 /nfs/dbraw/zinc/21/52/80/654215280.db2.gz GPXGCWHFGFQSKO-UHFFFAOYSA-N 1 0 379.267 2.209 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000801514772 654199328 /nfs/dbraw/zinc/19/93/28/654199328.db2.gz HUGOEOBZMYXAFX-IRXDYDNUSA-N 1 0 397.313 2.267 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000801547097 654200070 /nfs/dbraw/zinc/20/00/70/654200070.db2.gz GDPDGNHSIROSFY-UHFFFAOYSA-N 1 0 385.302 2.124 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CCO1 ZINC000851884115 654200039 /nfs/dbraw/zinc/20/00/39/654200039.db2.gz AMBARAIDXCXVKK-NSHDSACASA-N 1 0 382.313 2.120 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870853419 654200438 /nfs/dbraw/zinc/20/04/38/654200438.db2.gz CMUXTLPAOJTUIZ-ZUCKAHLUSA-N 1 0 380.286 2.282 20 0 GEADRO [NH3+][C@H](C(=O)NCc1nnc2n1CCCCC2)c1cccc(Br)c1 ZINC000870859988 654200695 /nfs/dbraw/zinc/20/06/95/654200695.db2.gz DFTBHNVVTTVFBU-HNNXBMFYSA-N 1 0 378.274 2.083 20 0 GEADRO CC(C)C(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870863419 654201135 /nfs/dbraw/zinc/20/11/35/654201135.db2.gz GCZYQRXEQKZZFK-HNNXBMFYSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1cccc(OC[C@H](O)CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)c1 ZINC000870873828 654201585 /nfs/dbraw/zinc/20/15/85/654201585.db2.gz STPZKTYQFCEOKZ-WBVHZDCISA-N 1 0 393.281 2.313 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(F)c2Br)CC[N@@H+]1C ZINC000890170602 654201801 /nfs/dbraw/zinc/20/18/01/654201801.db2.gz BHVMLRJLADMSCC-GHMZBOCLSA-N 1 0 386.265 2.468 20 0 GEADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000870877552 654202032 /nfs/dbraw/zinc/20/20/32/654202032.db2.gz BYLXKUAIYAZILK-KOMQPUFPSA-N 1 0 394.313 2.251 20 0 GEADRO CCO[C@@H](CNC(=O)c1ccn(-c2ccc(Br)cc2)n1)C[NH+](C)C ZINC000831714094 654202321 /nfs/dbraw/zinc/20/23/21/654202321.db2.gz SNZCFZOQSDOCLH-HNNXBMFYSA-N 1 0 395.301 2.331 20 0 GEADRO CC(C)N1C(=S)N=NC1CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870884011 654202527 /nfs/dbraw/zinc/20/25/27/654202527.db2.gz OJQAYLDWSMGAQU-LBPRGKRZSA-N 1 0 384.303 2.226 20 0 GEADRO C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)C1 ZINC000870887437 654203520 /nfs/dbraw/zinc/20/35/20/654203520.db2.gz ANLBJVUCDTVOCN-CHWSQXEVSA-N 1 0 382.302 2.158 20 0 GEADRO CCO[C@@H](CNC(=O)c1cn(C(C)(C)C)nc1Br)C[NH+](C)C ZINC000831731747 654204149 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O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc(F)cc1Cl ZINC000902982715 654207117 /nfs/dbraw/zinc/20/71/17/654207117.db2.gz ODPAIAJKYIWXQC-MISOGJRXSA-N 1 0 388.892 2.161 20 0 GEADRO C[C@H]1CN(C(=O)c2csc(C3CC[NH2+]CC3)n2)CCN1CC(F)(F)F ZINC000870909748 654207340 /nfs/dbraw/zinc/20/73/40/654207340.db2.gz ANRNBYRQALBXDC-NSHDSACASA-N 1 0 376.448 2.319 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)sc1Cl ZINC000920272979 654207467 /nfs/dbraw/zinc/20/74/67/654207467.db2.gz AGVNIYVNSZEFPW-ZNEHSRBWSA-N 1 0 392.974 2.468 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000870914862 654207777 /nfs/dbraw/zinc/20/77/77/654207777.db2.gz WCVMYZHCCAEUHC-AEFFLSMTSA-N 1 0 394.313 2.228 20 0 GEADRO Cc1ncc2c(n1)CC[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)C2 ZINC000870917761 654207928 /nfs/dbraw/zinc/20/79/28/654207928.db2.gz ZYSWCVSPNHASON-GOEBONIOSA-N 1 0 375.270 2.221 20 0 GEADRO [NH3+][C@H]1CC[C@H](C(=O)NCCOc2ccc(I)cc2)CC1 ZINC000870929186 654208234 /nfs/dbraw/zinc/20/82/34/654208234.db2.gz ZZDAIGGFFMJXIJ-AULYBMBSSA-N 1 0 388.249 2.304 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC000920282573 654209079 /nfs/dbraw/zinc/20/90/79/654209079.db2.gz RRCOLMQSMICTFF-JHNDHUHGSA-N 1 0 390.908 2.237 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1cccc(Br)c1 ZINC000870936659 654209357 /nfs/dbraw/zinc/20/93/57/654209357.db2.gz AIPYJQUNJTWCFK-JKSUJKDBSA-N 1 0 384.318 2.458 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000870933838 654209323 /nfs/dbraw/zinc/20/93/23/654209323.db2.gz YMXXMAMKPKORDB-CJNGLKHVSA-N 1 0 382.302 2.084 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC000920282575 654209246 /nfs/dbraw/zinc/20/92/46/654209246.db2.gz RRCOLMQSMICTFF-SRABZTEZSA-N 1 0 390.908 2.237 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC=C(Cl)Cl)C2)[C@@H]1C(C)C ZINC000920309680 654209593 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NPMCDGWLGBJAPZ-JTQLQIEISA-N 1 0 385.429 2.065 20 0 GEADRO Cn1cc(I)c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n1 ZINC000903187171 654224967 /nfs/dbraw/zinc/22/49/67/654224967.db2.gz RGDSSIIOUPLDBY-VGPLMAKISA-N 1 0 386.281 2.272 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000852225006 654226579 /nfs/dbraw/zinc/22/65/79/654226579.db2.gz OMKHJNLKQBHPRA-UHFFFAOYSA-N 1 0 384.322 2.291 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000832039215 654226822 /nfs/dbraw/zinc/22/68/22/654226822.db2.gz ZPEOJOOVYIOEBA-UHFFFAOYSA-N 1 0 393.285 2.189 20 0 GEADRO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903221131 654228101 /nfs/dbraw/zinc/22/81/01/654228101.db2.gz PBOLSUCLTLSBGB-VXGBXAGGSA-N 1 0 378.416 2.499 20 0 GEADRO CC[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(OC(F)F)cc1 ZINC000903231512 654230599 /nfs/dbraw/zinc/23/05/99/654230599.db2.gz NEWQTPKIXBPNAA-ZDUSSCGKSA-N 1 0 384.470 2.386 20 0 GEADRO C[C@@H]([NH2+]CC(C)(C)C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903243659 654231097 /nfs/dbraw/zinc/23/10/97/654231097.db2.gz GTYQDHMDOPETGD-CYBMUJFWSA-N 1 0 388.555 2.499 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1 ZINC000903271841 654232097 /nfs/dbraw/zinc/23/20/97/654232097.db2.gz OWDTXVDVGOLDAI-BZUAXINKSA-N 1 0 376.444 2.216 20 0 GEADRO Cn1nnnc1CCC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000903352528 654235186 /nfs/dbraw/zinc/23/51/86/654235186.db2.gz WQXPXNDZJPYOAQ-CZUORRHYSA-N 1 0 380.290 2.273 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2Cl)CCS(=O)(=O)C1 ZINC000903369058 654237000 /nfs/dbraw/zinc/23/70/00/654237000.db2.gz SERGIMVGDQXSLI-GUYCJALGSA-N 1 0 388.917 2.159 20 0 GEADRO CO[C@@]1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CCS(=O)(=O)C1 ZINC000903369637 654237374 /nfs/dbraw/zinc/23/73/74/654237374.db2.gz YZNOWLBWCKKAPW-LSDHHAIUSA-N 1 0 392.290 2.369 20 0 GEADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000903424450 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20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1F ZINC000903513692 654244777 /nfs/dbraw/zinc/24/47/77/654244777.db2.gz SZTKYOJPRJOVMN-UWVGGRQHSA-N 1 0 395.294 2.345 20 0 GEADRO CO[C@H](C[NH+]1CCC(n2nncc2I)CC1)C1CCC1 ZINC000852532203 654246097 /nfs/dbraw/zinc/24/60/97/654246097.db2.gz DWGLFJJVWCVXDO-CYBMUJFWSA-N 1 0 390.269 2.335 20 0 GEADRO Ic1cnnn1C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000852532523 654246135 /nfs/dbraw/zinc/24/61/35/654246135.db2.gz LKFKUUZFKVAWSY-GFCCVEGCSA-N 1 0 390.269 2.336 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000890879564 654246632 /nfs/dbraw/zinc/24/66/32/654246632.db2.gz ZOMPNDZMJYJMCS-UHFFFAOYSA-N 1 0 395.305 2.085 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)Cc3cccc(F)c3Br)C[C@H]21 ZINC000903518802 654246845 /nfs/dbraw/zinc/24/68/45/654246845.db2.gz XXEDBHLBZUEOME-MPKXVKKWSA-N 1 0 391.306 2.477 20 0 GEADRO CC(C)(CCC[NH3+])NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903519204 654247326 /nfs/dbraw/zinc/24/73/26/654247326.db2.gz SYUYOYADWXITGA-UHFFFAOYSA-N 1 0 393.303 2.115 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000903518946 654247334 /nfs/dbraw/zinc/24/73/34/654247334.db2.gz QXHPINSFOZBQOO-UHFFFAOYSA-N 1 0 391.306 2.494 20 0 GEADRO Cc1cc2c(cc1Br)CN(S(=O)(=O)CC1CC[NH2+]CC1)CC2 ZINC000903520044 654247751 /nfs/dbraw/zinc/24/77/51/654247751.db2.gz GMWIINGHTLZSLA-UHFFFAOYSA-N 1 0 387.343 2.445 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903519990 654247893 /nfs/dbraw/zinc/24/78/93/654247893.db2.gz DOSXBMRPUYILCV-WDEREUQCSA-N 1 0 384.299 2.160 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC2([NH3+])CCCC2)c1F ZINC000903524864 654249293 /nfs/dbraw/zinc/24/92/93/654249293.db2.gz CHXPNJIVOAVNSF-UHFFFAOYSA-N 1 0 381.267 2.147 20 0 GEADRO [NH3+]C1(CNC(=O)c2cn(-c3ccccc3Br)nn2)CCCCC1 ZINC000832229086 654249340 /nfs/dbraw/zinc/24/93/40/654249340.db2.gz UFRMGOGWGHNWDY-UHFFFAOYSA-N 1 0 378.274 2.421 20 0 GEADRO C[C@@H](NS(=O)(=O)Cc1cccc(F)c1Br)C1CC[NH2+]CC1 ZINC000903525408 654249402 /nfs/dbraw/zinc/24/94/02/654249402.db2.gz HUNABLQUTZCJMZ-SNVBAGLBSA-N 1 0 379.295 2.396 20 0 GEADRO C[C@@H](CNS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000903532835 654250765 /nfs/dbraw/zinc/25/07/65/654250765.db2.gz QOZJVYDXXWWXAD-LBPRGKRZSA-N 1 0 375.332 2.472 20 0 GEADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1csc(Br)c1 ZINC000871677009 654251149 /nfs/dbraw/zinc/25/11/49/654251149.db2.gz RPZNIEFLEBHTJJ-UHFFFAOYSA-N 1 0 394.298 2.390 20 0 GEADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1nc(Cl)ccc1Cl ZINC000871675297 654251249 /nfs/dbraw/zinc/25/12/49/654251249.db2.gz JZLBFTKMESXGSF-UHFFFAOYSA-N 1 0 379.251 2.268 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCCN2S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000903539228 654251804 /nfs/dbraw/zinc/25/18/04/654251804.db2.gz CJBGWIYQYZSNNT-PXAZEXFGSA-N 1 0 383.901 2.117 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Cl)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544169 654252964 /nfs/dbraw/zinc/25/29/64/654252964.db2.gz JOGLJAMQTZPNRJ-AWEZNQCLSA-N 1 0 376.881 2.057 20 0 GEADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2cnn(CC(F)(F)F)c2)CCC1 ZINC000903546302 654253298 /nfs/dbraw/zinc/25/32/98/654253298.db2.gz JAYZJYSMAJSSQA-ZDUSSCGKSA-N 1 0 380.436 2.118 20 0 GEADRO CSc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903545126 654253389 /nfs/dbraw/zinc/25/33/89/654253389.db2.gz ZDZXXGCYZAWKLK-LBPRGKRZSA-N 1 0 390.958 2.499 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903548454 654253733 /nfs/dbraw/zinc/25/37/33/654253733.db2.gz QGUQPCWVYJJDIA-VXGBXAGGSA-N 1 0 391.331 2.290 20 0 GEADRO C[NH+](C)Cc1ccc(C(=O)NCC2(n3cc(Br)cn3)CC2)cn1 ZINC000832251333 654253791 /nfs/dbraw/zinc/25/37/91/654253791.db2.gz MEXLHTPLMBPOMF-UHFFFAOYSA-N 1 0 378.274 2.021 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000903547349 654253749 /nfs/dbraw/zinc/25/37/49/654253749.db2.gz UPZSWVAXGRXMLF-NSHDSACASA-N 1 0 379.309 2.430 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)Cc1cccc(F)c1Br ZINC000903548925 654254079 /nfs/dbraw/zinc/25/40/79/654254079.db2.gz POEPQGUBBPSPAG-GHMZBOCLSA-N 1 0 379.295 2.253 20 0 GEADRO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CC[NH2+]CCC12CCOCC2 ZINC000903550273 654254528 /nfs/dbraw/zinc/25/45/28/654254528.db2.gz YJNGCMDNLDKHRB-UHFFFAOYSA-N 1 0 380.844 2.151 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)C[C@H]1CC[NH3+] ZINC000903557317 654255636 /nfs/dbraw/zinc/25/56/36/654255636.db2.gz NNQDVARXGKYKHJ-GHMZBOCLSA-N 1 0 379.295 2.335 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@H]1C2(Br)Br ZINC000852901654 654266598 /nfs/dbraw/zinc/26/65/98/654266598.db2.gz MXHTVHQYHKFOAZ-PJKMHFRUSA-N 1 0 390.066 2.323 20 0 GEADRO CC(C)[NH+]1CCN(CCCN2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000852726738 654256126 /nfs/dbraw/zinc/25/61/26/654256126.db2.gz BGMHWMKFGXJHHC-UHFFFAOYSA-N 1 0 396.373 2.368 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)cc21 ZINC000903560670 654256244 /nfs/dbraw/zinc/25/62/44/654256244.db2.gz IMBWKMLSHUZJTJ-CUOATXAZSA-N 1 0 384.299 2.112 20 0 GEADRO [NH3+]C1CCN(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000903566209 654257180 /nfs/dbraw/zinc/25/71/80/654257180.db2.gz LQLGPVFPQFPUPF-UHFFFAOYSA-N 1 0 386.732 2.348 20 0 GEADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H]1c1ncc(Br)cn1 ZINC000903566136 654257208 /nfs/dbraw/zinc/25/72/08/654257208.db2.gz JJNYEYLEHGWADA-ULQDDVLXSA-N 1 0 391.313 2.307 20 0 GEADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000903567431 654257568 /nfs/dbraw/zinc/25/75/68/654257568.db2.gz AXXSRSIXTZNTFV-UHFFFAOYSA-N 1 0 385.839 2.060 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)C1 ZINC000903570993 654258069 /nfs/dbraw/zinc/25/80/69/654258069.db2.gz MCQLDRZVZWKYEK-HAQNSBGRSA-N 1 0 384.395 2.119 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cscc2Br)C[C@H]1C(F)(F)F ZINC000903572771 654258297 /nfs/dbraw/zinc/25/82/97/654258297.db2.gz DOGREZYLHWBHAZ-IYSWYEEDSA-N 1 0 379.223 2.021 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@H]1C(F)(F)F ZINC000903572935 654258328 /nfs/dbraw/zinc/25/83/28/654258328.db2.gz JKOOQVBEDLUYAW-HTQZYQBOSA-N 1 0 394.749 2.452 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000903573651 654258790 /nfs/dbraw/zinc/25/87/90/654258790.db2.gz HUHGVGRJENIJEW-ZDUSSCGKSA-N 1 0 385.917 2.377 20 0 GEADRO CCc1ncc(S(=O)(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903573493 654258830 /nfs/dbraw/zinc/25/88/30/654258830.db2.gz JFBBEJNWRPYBBQ-GUYCJALGSA-N 1 0 379.507 2.240 20 0 GEADRO Cc1nc(S(=O)(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000903574761 654259210 /nfs/dbraw/zinc/25/92/10/654259210.db2.gz XMASOWFRFPGBQH-RHSMWYFYSA-N 1 0 379.507 2.294 20 0 GEADRO COc1ccsc1S(=O)(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903574076 654259236 /nfs/dbraw/zinc/25/92/36/654259236.db2.gz OBCWDPJZICPFPQ-SUMWQHHRSA-N 1 0 380.491 2.291 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000903577239 654260152 /nfs/dbraw/zinc/26/01/52/654260152.db2.gz HKHGPZHYOREJDJ-LBPRGKRZSA-N 1 0 382.507 2.451 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(F)c(Br)cc1F)C2 ZINC000903578491 654260841 /nfs/dbraw/zinc/26/08/41/654260841.db2.gz APBKMASKZPAQFM-CIUDSAMLSA-N 1 0 381.242 2.228 20 0 GEADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000871804914 654260881 /nfs/dbraw/zinc/26/08/81/654260881.db2.gz IMOQXMXDGVTBAP-FENDNCTDSA-N 1 0 391.534 2.002 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000852797815 654260868 /nfs/dbraw/zinc/26/08/68/654260868.db2.gz BTLFDQWFNVFGEX-UHFFFAOYSA-N 1 0 378.416 2.442 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC[C@@H]1C(F)(F)F ZINC000903578864 654261086 /nfs/dbraw/zinc/26/10/86/654261086.db2.gz KSFHDPMMSZJZBG-DTWKUNHWSA-N 1 0 377.310 2.001 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000903579342 654261090 /nfs/dbraw/zinc/26/10/90/654261090.db2.gz NNHYXSWCBCQQFI-APPZFPTMSA-N 1 0 378.203 2.289 20 0 GEADRO O=C(NCCc1ccc(Br)cc1F)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852803252 654261297 /nfs/dbraw/zinc/26/12/97/654261297.db2.gz DTPXCAIAOOUYRR-NSHDSACASA-N 1 0 381.249 2.361 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)C1CC[NH2+]CC1 ZINC000871807475 654261666 /nfs/dbraw/zinc/26/16/66/654261666.db2.gz UTNMZKHLJFRTES-LLVKDONJSA-N 1 0 385.917 2.281 20 0 GEADRO CSc1ccc(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000871810221 654262332 /nfs/dbraw/zinc/26/23/32/654262332.db2.gz KWLRDVDPXKIMBO-GFCCVEGCSA-N 1 0 390.958 2.499 20 0 GEADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000871811348 654262344 /nfs/dbraw/zinc/26/23/44/654262344.db2.gz VBXYISHTTCCBCG-NSHDSACASA-N 1 0 379.309 2.430 20 0 GEADRO CC(C)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000871812864 654263263 /nfs/dbraw/zinc/26/32/63/654263263.db2.gz CTDLLIPVXTVYNJ-JSGCOSHPSA-N 1 0 378.416 2.283 20 0 GEADRO Cn1c(Cl)cnc1-c1csc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)n1 ZINC000852845493 654263437 /nfs/dbraw/zinc/26/34/37/654263437.db2.gz YIHPRNUTKVYEHC-QMMMGPOBSA-N 1 0 377.861 2.249 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903585231 654263561 /nfs/dbraw/zinc/26/35/61/654263561.db2.gz NFLFZIPHODGNLS-NHYWBVRUSA-N 1 0 389.315 2.101 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000903585251 654263576 /nfs/dbraw/zinc/26/35/76/654263576.db2.gz NLXNZNJOSDBMIU-SJKOYZFVSA-N 1 0 383.901 2.117 20 0 GEADRO CC[N@H+]1C[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)[C@@H](C)C1 ZINC000921407009 654263869 /nfs/dbraw/zinc/26/38/69/654263869.db2.gz SHERIANVDRQBFX-AAEUAGOBSA-N 1 0 382.306 2.258 20 0 GEADRO N[C@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000852858169 654263879 /nfs/dbraw/zinc/26/38/79/654263879.db2.gz SGJBPQYOTDRADW-PBHICJAKSA-N 1 0 396.329 2.209 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@H]1C(F)(F)F ZINC000871813792 654263897 /nfs/dbraw/zinc/26/38/97/654263897.db2.gz YDIDLFQNCZQQRW-IONNQARKSA-N 1 0 392.321 2.185 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000871813962 654264005 /nfs/dbraw/zinc/26/40/05/654264005.db2.gz MVPFASRJMWSDIZ-GWCFXTLKSA-N 1 0 386.823 2.244 20 0 GEADRO Cc1c(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC000871815120 654264472 /nfs/dbraw/zinc/26/44/72/654264472.db2.gz ZJHRCHHUJGJCMR-AAEUAGOBSA-N 1 0 375.416 2.244 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000903589069 654264501 /nfs/dbraw/zinc/26/45/01/654264501.db2.gz MVBZWHQYVSHFNF-SDBXPKJASA-N 1 0 381.242 2.229 20 0 GEADRO Cc1c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c2ccccc2n1C ZINC000871815124 654264479 /nfs/dbraw/zinc/26/44/79/654264479.db2.gz ZJHRCHHUJGJCMR-WCQYABFASA-N 1 0 375.416 2.244 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000903589068 654264547 /nfs/dbraw/zinc/26/45/47/654264547.db2.gz MVBZWHQYVSHFNF-OQPBUACISA-N 1 0 381.242 2.229 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000903590076 654264794 /nfs/dbraw/zinc/26/47/94/654264794.db2.gz LQQTWLKWJVWZCQ-UHFFFAOYSA-N 1 0 383.297 2.399 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@]34CC[NH2+]C4)cc2N1 ZINC000903592283 654265131 /nfs/dbraw/zinc/26/51/31/654265131.db2.gz LORBOIFACUONHG-KRWDZBQOSA-N 1 0 383.901 2.131 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])ccc1Br ZINC000903590736 654265256 /nfs/dbraw/zinc/26/52/56/654265256.db2.gz ZEVWXYAOVXMIMU-ABAIWWIYSA-N 1 0 387.299 2.154 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903592536 654265297 /nfs/dbraw/zinc/26/52/97/654265297.db2.gz OLKHCNAYIFLLSJ-XHDPSFHLSA-N 1 0 389.315 2.350 20 0 GEADRO C[C@@]1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1(Br)Br ZINC000852880681 654265232 /nfs/dbraw/zinc/26/52/32/654265232.db2.gz OELVHFGMMNCHED-NWDGAFQWSA-N 1 0 380.124 2.485 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])ccc1Br ZINC000903590738 654265325 /nfs/dbraw/zinc/26/53/25/654265325.db2.gz ZEVWXYAOVXMIMU-NHYWBVRUSA-N 1 0 387.299 2.154 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000852880487 654265406 /nfs/dbraw/zinc/26/54/06/654265406.db2.gz AOQHGABGUQLMDN-AGIUHOORSA-N 1 0 390.228 2.035 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871820498 654265707 /nfs/dbraw/zinc/26/57/07/654265707.db2.gz PPZIQEFVCIUTDY-KBPBESRZSA-N 1 0 393.278 2.160 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000852892881 654265695 /nfs/dbraw/zinc/26/56/95/654265695.db2.gz OYPDYJVHWJIRKN-UHFFFAOYSA-N 1 0 381.318 2.374 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000871821009 654266059 /nfs/dbraw/zinc/26/60/59/654266059.db2.gz ZCKMNLOMBCHBKH-GJZGRUSLSA-N 1 0 388.331 2.078 20 0 GEADRO [NH3+]CCc1ccc2c(c1)CCCN2S(=O)(=O)c1cncc(Br)c1 ZINC000903599080 654266533 /nfs/dbraw/zinc/26/65/33/654266533.db2.gz IXSAHMQHYNREKS-UHFFFAOYSA-N 1 0 396.310 2.487 20 0 GEADRO C[C@]12CCN(C(=O)[C@]3(C)CCC[NH2+]3)C[C@H]1C2(Br)Br ZINC000852901913 654266958 /nfs/dbraw/zinc/26/69/58/654266958.db2.gz VKIDHSGXGHEZFM-USWWRNFRSA-N 1 0 380.124 2.483 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000852907293 654267419 /nfs/dbraw/zinc/26/74/19/654267419.db2.gz IRKUMACGAPOETO-HZPDHXFCSA-N 1 0 383.286 2.118 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C2)C1 ZINC000891146916 654267420 /nfs/dbraw/zinc/26/74/20/654267420.db2.gz YWNKGVIIUGPFIK-MAUKXSAKSA-N 1 0 393.281 2.085 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C2)C1 ZINC000891146918 654267451 /nfs/dbraw/zinc/26/74/51/654267451.db2.gz YWNKGVIIUGPFIK-YJBOKZPZSA-N 1 0 393.281 2.085 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000852909287 654267972 /nfs/dbraw/zinc/26/79/72/654267972.db2.gz QDCXLKLRWDSRNO-UHFFFAOYSA-N 1 0 377.238 2.427 20 0 GEADRO CN(C)[S@](C)(=O)=NCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000891148724 654268221 /nfs/dbraw/zinc/26/82/21/654268221.db2.gz LFPHGSUYUMWZAX-RUZDIDTESA-N 1 0 386.587 2.236 20 0 GEADRO O=C(C(=O)N1CCc2ccc(Cl)c(Cl)c2C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852924018 654268929 /nfs/dbraw/zinc/26/89/29/654268929.db2.gz LGQXHDQGAZCREX-SFHVURJKSA-N 1 0 382.291 2.233 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1ccnn1CC[NH+](C)C ZINC000891191225 654270698 /nfs/dbraw/zinc/27/06/98/654270698.db2.gz IVLIXDHVSVHVHU-UHFFFAOYSA-N 1 0 375.420 2.496 20 0 GEADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(Br)o1)c1cccnc1 ZINC000921480225 654272534 /nfs/dbraw/zinc/27/25/34/654272534.db2.gz CBWJBTLFBZNSFF-LBPRGKRZSA-N 1 0 388.287 2.408 20 0 GEADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cccc(Br)n1)c1cccnc1 ZINC000921478604 654272593 /nfs/dbraw/zinc/27/25/93/654272593.db2.gz NWDPHTWGCACCMX-ZDUSSCGKSA-N 1 0 399.314 2.210 20 0 GEADRO C[C@H](CN1C(=O)N[C@H](Cc2cncs2)C1=O)[N@@H+]1CCc2sccc2C1 ZINC000871895628 654274101 /nfs/dbraw/zinc/27/41/01/654274101.db2.gz VQHOQASSOTZIMU-BXUZGUMPSA-N 1 0 376.507 2.114 20 0 GEADRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000832570445 654276909 /nfs/dbraw/zinc/27/69/09/654276909.db2.gz OVENOGVIZRVKIZ-ZIAGYGMSSA-N 1 0 376.425 2.169 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc(Br)c1 ZINC000871920193 654277663 /nfs/dbraw/zinc/27/76/63/654277663.db2.gz DHMYIUUWHUSHGF-CABCVRRESA-N 1 0 383.286 2.151 20 0 GEADRO O=C(NCCC[NH2+]C[C@@H](O)c1ccccn1)c1ccc(Br)cc1 ZINC000853099822 654279282 /nfs/dbraw/zinc/27/92/82/654279282.db2.gz ZSYPYFOXDGOIFP-MRXNPFEDSA-N 1 0 378.270 2.287 20 0 GEADRO O=C1N(CC[NH2+]C[C@H](O)c2cccc(Br)c2)C[C@@H]2CCCCN12 ZINC000853118842 654280072 /nfs/dbraw/zinc/28/00/72/654280072.db2.gz RZEGGKMWCIWKNE-HOTGVXAUSA-N 1 0 382.302 2.362 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000853116433 654280195 /nfs/dbraw/zinc/28/01/95/654280195.db2.gz JNYIGEITEXVRLD-ZDUSSCGKSA-N 1 0 380.279 2.179 20 0 GEADRO CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755264 654282424 /nfs/dbraw/zinc/28/24/24/654282424.db2.gz DNNMPHLNWIPAMI-HOTGVXAUSA-N 1 0 396.329 2.066 20 0 GEADRO NC(=O)C1CC[NH+](Cc2cccc(NCc3nc(Br)c[nH]3)c2)CC1 ZINC000921572222 654282628 /nfs/dbraw/zinc/28/26/28/654282628.db2.gz RFIMKCIORVNMKM-UHFFFAOYSA-N 1 0 392.301 2.482 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000903830554 654284557 /nfs/dbraw/zinc/28/45/57/654284557.db2.gz FEZIJCWEHSVULV-LBPRGKRZSA-N 1 0 377.819 2.190 20 0 GEADRO CC(C)(C)[NH2+]CCC(=O)N[C@@H](CO)c1ccccc1I ZINC000891324606 654286609 /nfs/dbraw/zinc/28/66/09/654286609.db2.gz IWHMRJOXZKJKGX-ZDUSSCGKSA-N 1 0 390.265 2.219 20 0 GEADRO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)c1ccccc1Br ZINC000832680796 654287150 /nfs/dbraw/zinc/28/71/50/654287150.db2.gz WKSKLXFSKODFFD-IUODEOHRSA-N 1 0 376.316 2.239 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)N1CCn2ncc(Br)c2C1)c1ccccc1 ZINC000853229926 654287040 /nfs/dbraw/zinc/28/70/40/654287040.db2.gz XXUHMVFPQBHTGF-OAHLLOKOSA-N 1 0 392.301 2.474 20 0 GEADRO CC[NH+](CC)CCCNC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853223527 654287298 /nfs/dbraw/zinc/28/72/98/654287298.db2.gz KWEYTUCKHXDJDR-UHFFFAOYSA-N 1 0 384.318 2.394 20 0 GEADRO CN(CCOc1ccc(Br)cc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903878493 654288911 /nfs/dbraw/zinc/28/89/11/654288911.db2.gz WDNXLTOZNWUQJN-OAHLLOKOSA-N 1 0 394.317 2.476 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000903881190 654289221 /nfs/dbraw/zinc/28/92/21/654289221.db2.gz ORSNBGRFUQRXTO-INIZCTEOSA-N 1 0 377.286 2.326 20 0 GEADRO CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](CO)c1cccc(Br)c1 ZINC000903897668 654290833 /nfs/dbraw/zinc/29/08/33/654290833.db2.gz IGPXBCFVOZIQDT-RDJZCZTQSA-N 1 0 394.317 2.131 20 0 GEADRO [NH3+][C@@H](CC(F)F)CN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000903902799 654291081 /nfs/dbraw/zinc/29/10/81/654291081.db2.gz CNBPZLRWOBFZEO-ZDUSSCGKSA-N 1 0 376.245 2.189 20 0 GEADRO Brc1ccc2c(c1)CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CCO2 ZINC000903915790 654291982 /nfs/dbraw/zinc/29/19/82/654291982.db2.gz PYCXPIYNSJJHJD-OAHLLOKOSA-N 1 0 392.301 2.360 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891447699 654294175 /nfs/dbraw/zinc/29/41/75/654294175.db2.gz XVHSUOMQNDAYRG-UONOGXRCSA-N 1 0 396.285 2.256 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903986980 654294441 /nfs/dbraw/zinc/29/44/41/654294441.db2.gz VZPSVUYHUQVJCN-LBPRGKRZSA-N 1 0 384.293 2.144 20 0 GEADRO COCCC1(NC(=O)NCCc2ccccc2Br)CC[NH2+]CC1 ZINC000891458663 654294544 /nfs/dbraw/zinc/29/45/44/654294544.db2.gz AXLBKNOIAJONKB-UHFFFAOYSA-N 1 0 384.318 2.450 20 0 GEADRO O=C(NCCc1ccccc1Br)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891461207 654294607 /nfs/dbraw/zinc/29/46/07/654294607.db2.gz UVDFIJZITVOECC-HNNXBMFYSA-N 1 0 396.329 2.450 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853446771 654295592 /nfs/dbraw/zinc/29/55/92/654295592.db2.gz NQOZKZWLIQYAFQ-CVEARBPZSA-N 1 0 394.313 2.289 20 0 GEADRO O=C(NCCC[NH2+]Cc1cnc2n1CCOC2)c1cccc(Br)c1 ZINC000921646112 654298107 /nfs/dbraw/zinc/29/81/07/654298107.db2.gz DTGSVNZAUVYDAH-UHFFFAOYSA-N 1 0 393.285 2.086 20 0 GEADRO Cc1nc(CNCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)sc1Br ZINC000921654262 654299404 /nfs/dbraw/zinc/29/94/04/654299404.db2.gz WXFVLGQOYVLJOZ-GFCCVEGCSA-N 1 0 389.363 2.246 20 0 GEADRO O=C(Cc1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1)Nc1ccccc1Br ZINC000904110447 654302262 /nfs/dbraw/zinc/30/22/62/654302262.db2.gz SVEQJTNUSPMVDF-FTGAXOIBSA-N 1 0 377.242 2.336 20 0 GEADRO CCSc1ccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@H]34)n2)cc1 ZINC000904112343 654302421 /nfs/dbraw/zinc/30/24/21/654302421.db2.gz DMAAXZGQLQPTLI-BPLDGKMQSA-N 1 0 379.507 2.024 20 0 GEADRO CCCCS(=O)(=O)Cc1noc(-c2cnc(CC3CC[NH2+]CC3)s2)n1 ZINC000904112291 654302479 /nfs/dbraw/zinc/30/24/79/654302479.db2.gz CAALRIZGHWJNFB-UHFFFAOYSA-N 1 0 384.527 2.450 20 0 GEADRO Cn1nc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1Br ZINC000833057239 654302820 /nfs/dbraw/zinc/30/28/20/654302820.db2.gz YSOOYVHARUCHJP-CYBMUJFWSA-N 1 0 379.258 2.002 20 0 GEADRO CN(CC1C[NH+](C)C1)CN1C(=O)C(=O)c2c1ccc(Br)c2Cl ZINC000853553251 654303474 /nfs/dbraw/zinc/30/34/74/654303474.db2.gz LSZSBBBSRCKIIJ-UHFFFAOYSA-N 1 0 386.677 2.083 20 0 GEADRO O=c1ccn(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c2c(Br)cccc12 ZINC000853557764 654304057 /nfs/dbraw/zinc/30/40/57/654304057.db2.gz MTBKLCGVKNXPBQ-IUODEOHRSA-N 1 0 390.281 2.322 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000853598229 654307617 /nfs/dbraw/zinc/30/76/17/654307617.db2.gz OPCXZBKFYCXQRS-UHFFFAOYSA-N 1 0 384.322 2.435 20 0 GEADRO CC(C)NC(=O)[C@@H]1CCCN(CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000853601190 654308998 /nfs/dbraw/zinc/30/89/98/654308998.db2.gz FTFAZFKDJNIZLZ-CYBMUJFWSA-N 1 0 379.555 2.413 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000904419086 654309816 /nfs/dbraw/zinc/30/98/16/654309816.db2.gz LZKUATVADAJKST-VIFPVBQESA-N 1 0 377.670 2.258 20 0 GEADRO Cn1ncc(S(=O)(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1C(F)(F)F ZINC000921716165 654310342 /nfs/dbraw/zinc/31/03/42/654310342.db2.gz LHSLIZCPHTWISA-UHFFFAOYSA-N 1 0 380.436 2.124 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000904421674 654310453 /nfs/dbraw/zinc/31/04/53/654310453.db2.gz NOICXCVJBQDUTK-LLVKDONJSA-N 1 0 383.246 2.351 20 0 GEADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000921718627 654310797 /nfs/dbraw/zinc/31/07/97/654310797.db2.gz JVHMNFAUEIAILG-UHFFFAOYSA-N 1 0 385.917 2.124 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(Cn2c(=O)oc3cc(Br)ccc32)CCO1 ZINC000853624856 654311137 /nfs/dbraw/zinc/31/11/37/654311137.db2.gz RRIQMWUOQRHKDM-AWEZNQCLSA-N 1 0 398.301 2.357 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)nc12 ZINC000891790117 654312009 /nfs/dbraw/zinc/31/20/09/654312009.db2.gz HTFXXPXZQWNXDI-YVEFUNNKSA-N 1 0 392.301 2.156 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)CCC2 ZINC000872110829 654313956 /nfs/dbraw/zinc/31/39/56/654313956.db2.gz RNTYVOLHVFJQIS-GFCCVEGCSA-N 1 0 388.358 2.473 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000872119906 654314013 /nfs/dbraw/zinc/31/40/13/654314013.db2.gz WSYFEFFJFBGIQB-DUZACMNTSA-N 1 0 385.551 2.103 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)NCCCSc2ccccc2)C[C@@H]1C(F)(F)F ZINC000872147077 654314386 /nfs/dbraw/zinc/31/43/86/654314386.db2.gz CUXJHTDMBUEVJY-HIFRSBDPSA-N 1 0 375.460 2.354 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000872149047 654314423 /nfs/dbraw/zinc/31/44/23/654314423.db2.gz SPPVHBOQDJNYDM-SKDRFNHKSA-N 1 0 380.208 2.457 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000891854607 654315226 /nfs/dbraw/zinc/31/52/26/654315226.db2.gz DLMBZHIAKZOMQE-UHFFFAOYSA-N 1 0 375.922 2.404 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc(Cl)nc2c(Br)c[nH]c21 ZINC000853694906 654315565 /nfs/dbraw/zinc/31/55/65/654315565.db2.gz ZWZGPXZDNMYKAX-DTWKUNHWSA-N 1 0 388.697 2.265 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cn1 ZINC000891869138 654316108 /nfs/dbraw/zinc/31/61/08/654316108.db2.gz VNEDENSKYIGOHW-GXTWGEPZSA-N 1 0 397.317 2.363 20 0 GEADRO CC(C)N(Cc1cccs1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872187752 654316651 /nfs/dbraw/zinc/31/66/51/654316651.db2.gz ZKUOPNYKUODXIO-YPMHNXCESA-N 1 0 377.432 2.081 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000872217892 654317568 /nfs/dbraw/zinc/31/75/68/654317568.db2.gz GSGSKTMJRVEZCQ-UONOGXRCSA-N 1 0 377.312 2.168 20 0 GEADRO Cc1ccc(Br)cc1-c1noc([C@@H]2CCCN(CC[NH3+])C2=O)n1 ZINC000904711624 654317639 /nfs/dbraw/zinc/31/76/39/654317639.db2.gz GFHMDAXHQIZSLV-LBPRGKRZSA-N 1 0 379.258 2.472 20 0 GEADRO C[C@]1(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)OCCc2sccc21 ZINC000891906425 654317689 /nfs/dbraw/zinc/31/76/89/654317689.db2.gz MSEWZTNEKQADMO-IXPVHAAZSA-N 1 0 377.432 2.315 20 0 GEADRO Cc1cccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1Br ZINC000921747094 654317758 /nfs/dbraw/zinc/31/77/58/654317758.db2.gz LXIVWGQIUAIPBZ-QGZVFWFLSA-N 1 0 382.346 2.254 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cccc(Br)c1 ZINC000872222551 654317872 /nfs/dbraw/zinc/31/78/72/654317872.db2.gz WLNVMDXBQCEBMZ-QYPKEOEOSA-N 1 0 386.311 2.236 20 0 GEADRO [NH3+]CCN1CCC[C@@H](c2nc(-c3cc(Br)ccc3F)no2)C1=O ZINC000904724344 654318040 /nfs/dbraw/zinc/31/80/40/654318040.db2.gz NKSLTUGCLUHDTR-JTQLQIEISA-N 1 0 383.221 2.303 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccccc1Br ZINC000872221143 654317972 /nfs/dbraw/zinc/31/79/72/654317972.db2.gz WJNXNYBJODQDQT-VXGBXAGGSA-N 1 0 379.180 2.467 20 0 GEADRO C[C@@](O)(C[NH2+]CCCN1CCOCC1)c1ccc(Br)cc1F ZINC000834354116 654318590 /nfs/dbraw/zinc/31/85/90/654318590.db2.gz YVXGSYKAFBCOPZ-MRXNPFEDSA-N 1 0 375.282 2.108 20 0 GEADRO COC[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1cccc(Br)c1 ZINC000872236511 654318457 /nfs/dbraw/zinc/31/84/57/654318457.db2.gz PKZLOFSEIDXMOK-CVEARBPZSA-N 1 0 388.302 2.019 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)n1 ZINC000891934888 654319023 /nfs/dbraw/zinc/31/90/23/654319023.db2.gz CCTWECYBGMSFGO-CQSZACIVSA-N 1 0 384.322 2.294 20 0 GEADRO C[C@@]1(CNC(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)CC1(Cl)Cl ZINC000891936936 654319676 /nfs/dbraw/zinc/31/96/76/654319676.db2.gz UPZZWYVQVSHUJK-HNNXBMFYSA-N 1 0 383.283 2.109 20 0 GEADRO O=C(c1cc(Cl)ccc1Cl)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264255 654320908 /nfs/dbraw/zinc/32/09/08/654320908.db2.gz KNXBBBCCCFHFKE-CABCVRRESA-N 1 0 384.263 2.391 20 0 GEADRO Cc1cc(NCCNS(=O)(=O)c2cccc(Cl)c2Cl)nc(N)[nH+]1 ZINC000804788582 654321219 /nfs/dbraw/zinc/32/12/19/654321219.db2.gz PLESMNWKUWMGCT-UHFFFAOYSA-N 1 0 376.269 2.064 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000891965506 654321181 /nfs/dbraw/zinc/32/11/81/654321181.db2.gz ANUGFKBMTLFVNN-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000892004788 654323424 /nfs/dbraw/zinc/32/34/24/654323424.db2.gz HWTMIIATELYOLA-UONOGXRCSA-N 1 0 376.284 2.127 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C[N@@H+]1C1CC1 ZINC000853838104 654324715 /nfs/dbraw/zinc/32/47/15/654324715.db2.gz DZDSABJKTFFRHM-SWLSCSKDSA-N 1 0 394.313 2.287 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CCN1C(=O)c2ccc(Br)cc2S1(=O)=O ZINC000804919991 654324993 /nfs/dbraw/zinc/32/49/93/654324993.db2.gz IANYQAGKOITXCW-LBPRGKRZSA-N 1 0 387.299 2.468 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000904973813 654326059 /nfs/dbraw/zinc/32/60/59/654326059.db2.gz RARKDVDHYVEALS-KBXCAEBGSA-N 1 0 394.313 2.137 20 0 GEADRO Cc1sc(NC[C@H]2CCCS2)nc1-c1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000905015922 654326359 /nfs/dbraw/zinc/32/63/59/654326359.db2.gz XVBAANMRFVGCKE-CHWSQXEVSA-N 1 0 380.543 2.006 20 0 GEADRO Cc1sc(NC[C@@H]2CCCS2)nc1-c1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000905015927 654326508 /nfs/dbraw/zinc/32/65/08/654326508.db2.gz XVBAANMRFVGCKE-OLZOCXBDSA-N 1 0 380.543 2.006 20 0 GEADRO [NH3+][C@@H](CNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000892052024 654326952 /nfs/dbraw/zinc/32/69/52/654326952.db2.gz ZZRKDBQFGJTOAC-HNNXBMFYSA-N 1 0 378.274 2.171 20 0 GEADRO CN(C(=O)c1cnnn1-c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000905028072 654327187 /nfs/dbraw/zinc/32/71/87/654327187.db2.gz IWGJIDJODRKZGM-UHFFFAOYSA-N 1 0 378.274 2.196 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000804956214 654328365 /nfs/dbraw/zinc/32/83/65/654328365.db2.gz DNWOQEXJPUDSSI-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO C[C@@H]1c2sccc2CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000892108046 654328869 /nfs/dbraw/zinc/32/88/69/654328869.db2.gz PDGNNKOEKDBYDU-DGCLKSJQSA-N 1 0 376.448 2.213 20 0 GEADRO C[C@@](O)(C[NH2+]CCCS(=O)(=O)c1ccccc1)C(F)(F)C(F)(F)F ZINC000905064438 654328863 /nfs/dbraw/zinc/32/88/63/654328863.db2.gz JQQLXNYANCILRT-GFCCVEGCSA-N 1 0 375.359 2.389 20 0 GEADRO O=C(NCCC[NH2+]C[C@@H](O)CCC1(O)CCC1)c1cccc(Br)c1 ZINC000905082489 654329952 /nfs/dbraw/zinc/32/99/52/654329952.db2.gz SYOAKJUEFJBFLC-INIZCTEOSA-N 1 0 399.329 2.215 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000853926554 654331004 /nfs/dbraw/zinc/33/10/04/654331004.db2.gz XLJVIGWOWRWBIC-NCOADZHNSA-N 1 0 385.599 2.262 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1COc2cccc(Br)c2C1)C(F)F ZINC000892150367 654331095 /nfs/dbraw/zinc/33/10/95/654331095.db2.gz IRCUKKGHLOLIRV-GZMMTYOYSA-N 1 0 378.217 2.034 20 0 GEADRO COC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1cccc(Br)c1 ZINC000892152650 654331102 /nfs/dbraw/zinc/33/11/02/654331102.db2.gz UVRMLZRCMKDVAD-RYUDHWBXSA-N 1 0 380.233 2.418 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000853926556 654331160 /nfs/dbraw/zinc/33/11/60/654331160.db2.gz XLJVIGWOWRWBIC-WCXIOVBPSA-N 1 0 385.599 2.262 20 0 GEADRO O=C(N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)N[C@H]1C[NH2+]CCC1(F)F ZINC000892157509 654331658 /nfs/dbraw/zinc/33/16/58/654331658.db2.gz UCWJEWMVOFEPBP-IGQOVBAYSA-N 1 0 386.240 2.384 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@](C)(O)C(F)F ZINC000905107120 654332196 /nfs/dbraw/zinc/33/21/96/654332196.db2.gz URFNDQWWTDXKNJ-OAHLLOKOSA-N 1 0 379.245 2.403 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000905121694 654333064 /nfs/dbraw/zinc/33/30/64/654333064.db2.gz FQXMBEGYUSYBNS-YJBOKZPZSA-N 1 0 388.339 2.023 20 0 GEADRO C[C@@](O)(C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)C(F)F ZINC000905132707 654333635 /nfs/dbraw/zinc/33/36/35/654333635.db2.gz BEENXNDUJPHQPJ-OAHLLOKOSA-N 1 0 382.498 2.071 20 0 GEADRO O=S(=O)(c1ccc(Cl)s1)N1CCCN(c2cc[nH+]cc2CO)CC1 ZINC000892197440 654333746 /nfs/dbraw/zinc/33/37/46/654333746.db2.gz OIOFIGLPRSTNHN-UHFFFAOYSA-N 1 0 387.914 2.190 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905167768 654335434 /nfs/dbraw/zinc/33/54/34/654335434.db2.gz VSDZLCIJWKGFCX-IAQYHMDHSA-N 1 0 376.266 2.011 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905167771 654335447 /nfs/dbraw/zinc/33/54/47/654335447.db2.gz VSDZLCIJWKGFCX-NHYWBVRUSA-N 1 0 376.266 2.011 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000892251743 654336557 /nfs/dbraw/zinc/33/65/57/654336557.db2.gz DLWOJPFYLMFEGO-UKRRQHHQSA-N 1 0 392.301 2.128 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ncc(Br)cn1 ZINC000892286396 654338478 /nfs/dbraw/zinc/33/84/78/654338478.db2.gz KJTMRSJFFLRZQD-UPJWGTAASA-N 1 0 384.322 2.405 20 0 GEADRO CS[C@H](C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(C)(C)C ZINC000905203163 654338653 /nfs/dbraw/zinc/33/86/53/654338653.db2.gz KKFVYGTXCIRNHD-UONOGXRCSA-N 1 0 380.620 2.355 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C[C@@]1(O)CCOC1 ZINC000905203255 654338664 /nfs/dbraw/zinc/33/86/64/654338664.db2.gz PPYXWOFCBZIQGR-IFIJOSMWSA-N 1 0 375.296 2.064 20 0 GEADRO C[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000854056051 654338923 /nfs/dbraw/zinc/33/89/23/654338923.db2.gz WKJVKFYVKSSVEL-YSDYUQAISA-N 1 0 379.448 2.288 20 0 GEADRO Cn1nc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)cc1Br ZINC000834634418 654339711 /nfs/dbraw/zinc/33/97/11/654339711.db2.gz YRCNOHYNYPMKLG-UHFFFAOYSA-N 1 0 393.245 2.235 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000892323763 654340224 /nfs/dbraw/zinc/34/02/24/654340224.db2.gz WNYXIYXJPVMPBV-YZTAHQKSSA-N 1 0 376.298 2.481 20 0 GEADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(C(F)F)c1 ZINC000872454741 654340636 /nfs/dbraw/zinc/34/06/36/654340636.db2.gz YSUZWIIHEIMBNU-GFCCVEGCSA-N 1 0 380.432 2.279 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000892325181 654340521 /nfs/dbraw/zinc/34/05/21/654340521.db2.gz HMZXEPVZORMUPT-OAHLLOKOSA-N 1 0 397.361 2.269 20 0 GEADRO CC[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC[C@H]1[NH3+] ZINC000834646985 654340517 /nfs/dbraw/zinc/34/05/17/654340517.db2.gz LBMXWXIZXMGCGC-QMTHXVAHSA-N 1 0 389.315 2.052 20 0 GEADRO Brc1cnn(Cc2noc(-c3cc(C4CC[NH2+]CC4)no3)n2)c1 ZINC000854140786 654341570 /nfs/dbraw/zinc/34/15/70/654341570.db2.gz MKLMCZQRXZLOOG-UHFFFAOYSA-N 1 0 379.218 2.199 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1(O)CCOCC1 ZINC000905230866 654341938 /nfs/dbraw/zinc/34/19/38/654341938.db2.gz NWBNQUAFUMGGJN-WMLDXEAASA-N 1 0 389.323 2.454 20 0 GEADRO O[C@@H](C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C[C@@]1(O)CCOC1 ZINC000905245524 654343983 /nfs/dbraw/zinc/34/39/83/654343983.db2.gz WIHUAJBRXHAVJX-WBOJAVRRSA-N 1 0 388.277 2.326 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]C[C@H]2CCCC(F)(F)C2)CCC1 ZINC000905249673 654344538 /nfs/dbraw/zinc/34/45/38/654344538.db2.gz ZSRXBTADPWJRHR-KBPBESRZSA-N 1 0 382.517 2.403 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC2CCC(F)(F)CC2)CCC1 ZINC000905249499 654344544 /nfs/dbraw/zinc/34/45/44/654344544.db2.gz ZFCBJLSHZIZHMY-CQSZACIVSA-N 1 0 382.517 2.403 20 0 GEADRO Cc1nc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)sc1Br ZINC000921940048 654345367 /nfs/dbraw/zinc/34/53/67/654345367.db2.gz JUDXMCVXAWUXPH-LBPRGKRZSA-N 1 0 391.379 2.396 20 0 GEADRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892460014 654347489 /nfs/dbraw/zinc/34/74/89/654347489.db2.gz LWNDZYDCIDHONF-OAHLLOKOSA-N 1 0 383.242 2.390 20 0 GEADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872470073 654347805 /nfs/dbraw/zinc/34/78/05/654347805.db2.gz DONLMULBKJJKFG-UHFFFAOYSA-N 1 0 376.320 2.197 20 0 GEADRO C[C@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872471855 654348106 /nfs/dbraw/zinc/34/81/06/654348106.db2.gz PGJUDGFONSEDPT-QUVIJQCPSA-N 1 0 379.592 2.370 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3c(Cl)cccc3Cl)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000905305797 654349552 /nfs/dbraw/zinc/34/95/52/654349552.db2.gz WVQOEPGLSJOHKO-HOTUBEGUSA-N 1 0 388.276 2.219 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000834809469 654349562 /nfs/dbraw/zinc/34/95/62/654349562.db2.gz RWWYGBKRHMRTCX-CYBMUJFWSA-N 1 0 387.933 2.372 20 0 GEADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc1 ZINC000872477192 654350406 /nfs/dbraw/zinc/35/04/06/654350406.db2.gz GDNULMMEGFUTAI-HSZRJFAPSA-N 1 0 375.560 2.021 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCC[S@@](=O)CC(F)(F)F ZINC000854308607 654350586 /nfs/dbraw/zinc/35/05/86/654350586.db2.gz GHRMAWANBOOGGO-XMMPIXPASA-N 1 0 385.477 2.132 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000834821676 654350902 /nfs/dbraw/zinc/35/09/02/654350902.db2.gz RZKPWEKNPOCDNB-OLZOCXBDSA-N 1 0 387.933 2.370 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCCCc1cccc(Br)c1 ZINC000905337041 654351271 /nfs/dbraw/zinc/35/12/71/654351271.db2.gz XFXWRWJAEJTLSJ-UHFFFAOYSA-N 1 0 375.332 2.301 20 0 GEADRO C[C@H](CNS(=O)(=O)CC1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000905337872 654351521 /nfs/dbraw/zinc/35/15/21/654351521.db2.gz LAPLUPUSOLDZMR-GFCCVEGCSA-N 1 0 391.331 2.135 20 0 GEADRO O=C(Cc1cccnc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854330882 654351533 /nfs/dbraw/zinc/35/15/33/654351533.db2.gz NQQKYWWIGYYVLF-HNNXBMFYSA-N 1 0 382.302 2.100 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566643 654351729 /nfs/dbraw/zinc/35/17/29/654351729.db2.gz RSRRPOPVCQAONR-LERXQTSPSA-N 1 0 376.284 2.112 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)C2 ZINC000892565573 654351836 /nfs/dbraw/zinc/35/18/36/654351836.db2.gz FYKARZGFOXLSSY-ZKCHVHJHSA-N 1 0 388.287 2.060 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCc2sc(Br)cc2C1 ZINC000905342147 654351720 /nfs/dbraw/zinc/35/17/20/654351720.db2.gz HLXZPNNMPPXSIH-UHFFFAOYSA-N 1 0 379.345 2.198 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000905346079 654352295 /nfs/dbraw/zinc/35/22/95/654352295.db2.gz NKAFXUMUMBSOIK-UHFFFAOYSA-N 1 0 377.535 2.498 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000921996088 654352825 /nfs/dbraw/zinc/35/28/25/654352825.db2.gz WMESJYBTMQDFTA-UHFFFAOYSA-N 1 0 396.376 2.365 20 0 GEADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1(C)C ZINC000872485376 654352949 /nfs/dbraw/zinc/35/29/49/654352949.db2.gz ZTMVCFXKXBYFKR-UHFFFAOYSA-N 1 0 379.448 2.068 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000905357351 654352909 /nfs/dbraw/zinc/35/29/09/654352909.db2.gz JLKQFVSBEGOFDM-NHYWBVRUSA-N 1 0 376.906 2.173 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000905361280 654353336 /nfs/dbraw/zinc/35/33/36/654353336.db2.gz WQJGJYSEUZNDSJ-AWEZNQCLSA-N 1 0 388.331 2.243 20 0 GEADRO CCn1c(Br)c(Br)nc1C[NH2+]CCc1ccn(C)n1 ZINC000921997561 654353128 /nfs/dbraw/zinc/35/31/28/654353128.db2.gz IGGPPWQDDDPYBJ-UHFFFAOYSA-N 1 0 391.111 2.494 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCc3ccc(Br)cn3)C2)C1 ZINC000892615686 654353778 /nfs/dbraw/zinc/35/37/78/654353778.db2.gz GBUYADZIBWVOSP-JGGQBBKZSA-N 1 0 397.317 2.272 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)NCc2ccc(Br)cn2)C[C@H]1c1ccccc1 ZINC000892617758 654353961 /nfs/dbraw/zinc/35/39/61/654353961.db2.gz ZEHCZCLIYIWSBC-JKSUJKDBSA-N 1 0 375.270 2.480 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000834861693 654354167 /nfs/dbraw/zinc/35/41/67/654354167.db2.gz LNBDESRKIGINMM-VXGBXAGGSA-N 1 0 378.523 2.172 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc2c(cccc2Br)[nH]1 ZINC000854353584 654354897 /nfs/dbraw/zinc/35/48/97/654354897.db2.gz APMOPSGQSUGDLR-LBPRGKRZSA-N 1 0 377.286 2.050 20 0 GEADRO C[C@@](O)(C[NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000905429094 654356759 /nfs/dbraw/zinc/35/67/59/654356759.db2.gz BOWTWBBANLQWLK-SWLSCSKDSA-N 1 0 394.306 2.353 20 0 GEADRO C[C@H](OC[C@@H](O)C[NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000905432827 654357171 /nfs/dbraw/zinc/35/71/71/654357171.db2.gz SJLAFFIPJWSJJM-RRQGHBQHSA-N 1 0 375.918 2.335 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000892687410 654358806 /nfs/dbraw/zinc/35/88/06/654358806.db2.gz OHTUBFUYMALKKW-BXUZGUMPSA-N 1 0 398.301 2.312 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000835044867 654359563 /nfs/dbraw/zinc/35/95/63/654359563.db2.gz AAHQDSRDBZVZEY-OLZOCXBDSA-N 1 0 397.317 2.470 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000835070977 654360659 /nfs/dbraw/zinc/36/06/59/654360659.db2.gz MHSWPPIFFADWFY-CYBMUJFWSA-N 1 0 395.301 2.178 20 0 GEADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000905508174 654362082 /nfs/dbraw/zinc/36/20/82/654362082.db2.gz GYGUJBWLXWVDHB-GMXGEUMGSA-N 1 0 389.945 2.411 20 0 GEADRO Cc1cc(C(F)(F)F)nn1CC[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000905520800 654362737 /nfs/dbraw/zinc/36/27/37/654362737.db2.gz PVNGZXJJQWGXOE-UHFFFAOYSA-N 1 0 379.379 2.413 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)c1cnn(-c2ccccc2)c1I ZINC000854458443 654362740 /nfs/dbraw/zinc/36/27/40/654362740.db2.gz ITXCTUPXEXHVMJ-NSHDSACASA-N 1 0 398.248 2.157 20 0 GEADRO Cc1nc(Br)sc1C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000854490170 654364401 /nfs/dbraw/zinc/36/44/01/654364401.db2.gz RTBYGAPXMSUQFT-UHFFFAOYSA-N 1 0 377.352 2.170 20 0 GEADRO CCn1c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)nc(Br)c1Br ZINC000922080714 654364717 /nfs/dbraw/zinc/36/47/17/654364717.db2.gz ZDWONRSRFNHSSI-PELKAZGASA-N 1 0 397.111 2.058 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CC3(Br)Br)C[C@@H]2C1 ZINC000854525498 654365496 /nfs/dbraw/zinc/36/54/96/654365496.db2.gz GEOCZSQDFNNTTG-JFGNBEQYSA-N 1 0 380.124 2.293 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)CC3(Br)Br)C[C@@H]2C1 ZINC000854525500 654365593 /nfs/dbraw/zinc/36/55/93/654365593.db2.gz GEOCZSQDFNNTTG-SCVCMEIPSA-N 1 0 380.124 2.293 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)C[C@@H]2C1 ZINC000854526549 654366091 /nfs/dbraw/zinc/36/60/91/654366091.db2.gz KJGDENVXZNDJJO-UOJCXKCYSA-N 1 0 394.313 2.332 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2cc(Cl)cc(Br)c2)CCO1 ZINC000892840635 654366135 /nfs/dbraw/zinc/36/61/35/654366135.db2.gz NMTFDRZVLFWRJP-CYBMUJFWSA-N 1 0 376.682 2.014 20 0 GEADRO CCn1c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)nc(Br)c1Br ZINC000922099594 654367096 /nfs/dbraw/zinc/36/70/96/654367096.db2.gz NUVWPXBUYQWNJI-HTQZYQBOSA-N 1 0 394.111 2.185 20 0 GEADRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCc2sccc2C1 ZINC000892853794 654366881 /nfs/dbraw/zinc/36/68/81/654366881.db2.gz PAVGBOHXPXKUCG-IMJJTQAJSA-N 1 0 384.567 2.214 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)NCCC(C)(C)[NH3+] ZINC000892854026 654366892 /nfs/dbraw/zinc/36/68/92/654366892.db2.gz RBQWTCFODSHWGL-UHFFFAOYSA-N 1 0 395.305 2.299 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000854570980 654367343 /nfs/dbraw/zinc/36/73/43/654367343.db2.gz SPBDMZHUEZAYLH-CYBMUJFWSA-N 1 0 382.302 2.478 20 0 GEADRO C[C@@](O)(C[NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(Br)cc1Cl ZINC000905582902 654367614 /nfs/dbraw/zinc/36/76/14/654367614.db2.gz AICUEYPPICJBTI-ZUZCIYMTSA-N 1 0 375.694 2.426 20 0 GEADRO O[C@H](C[NH2+]CC1(n2cc(Br)cn2)CC1)C[C@H](O)c1ccccc1 ZINC000905585160 654367767 /nfs/dbraw/zinc/36/77/67/654367767.db2.gz DIKWLJVQRKIIDN-HOTGVXAUSA-N 1 0 380.286 2.209 20 0 GEADRO CCS(=O)(=O)CC[NH2+]C[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC000905586984 654368136 /nfs/dbraw/zinc/36/81/36/654368136.db2.gz NTIOYSXDTMUFSF-AWEZNQCLSA-N 1 0 388.452 2.343 20 0 GEADRO O[C@@H](C[NH2+]CC1(n2cc(Br)cn2)CC1)COc1ccc(F)cc1 ZINC000905587368 654368259 /nfs/dbraw/zinc/36/82/59/654368259.db2.gz OSNQYQWNIIBJGY-AWEZNQCLSA-N 1 0 384.249 2.303 20 0 GEADRO C[C@H](OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1 ZINC000905602896 654368978 /nfs/dbraw/zinc/36/89/78/654368978.db2.gz WKTLUIMBAHCKCA-MAJOINHISA-N 1 0 387.929 2.476 20 0 GEADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000922136014 654370746 /nfs/dbraw/zinc/37/07/46/654370746.db2.gz XLXZIKFHZMSZDB-ZFWWWQNUSA-N 1 0 388.917 2.424 20 0 GEADRO COC(=O)COc1ccccc1C[NH2+]CCCn1cc(Br)cn1 ZINC000922132622 654370853 /nfs/dbraw/zinc/37/08/53/654370853.db2.gz XVJGGPWGJUVQOC-UHFFFAOYSA-N 1 0 382.258 2.377 20 0 GEADRO Cn1nccc1[C@H](O)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000905623850 654370907 /nfs/dbraw/zinc/37/09/07/654370907.db2.gz GBHJOSCQHBVRPQ-HUUCEWRRSA-N 1 0 388.693 2.367 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cnn(C(C)(C)C)c1Br ZINC000854642573 654372373 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[NH3+]C1CCN(Cc2cn(CCOc3ccccc3Br)nn2)CC1 ZINC000905802459 654380763 /nfs/dbraw/zinc/38/07/63/654380763.db2.gz ZAMRBLALPTZMFU-UHFFFAOYSA-N 1 0 380.290 2.043 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000872610901 654380903 /nfs/dbraw/zinc/38/09/03/654380903.db2.gz CAAPVRYTFXSAGR-WFASDCNBSA-N 1 0 380.432 2.479 20 0 GEADRO Cc1nc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)sc1Br ZINC000922283984 654381281 /nfs/dbraw/zinc/38/12/81/654381281.db2.gz KVSAYWBYDQQDQK-JTQLQIEISA-N 1 0 394.302 2.020 20 0 GEADRO [NH3+]C1CCN(Cc2cn(CCOc3cc(F)cc(Br)c3)nn2)CC1 ZINC000905811375 654381232 /nfs/dbraw/zinc/38/12/32/654381232.db2.gz GRMMKRMKLNSPHF-UHFFFAOYSA-N 1 0 398.280 2.182 20 0 GEADRO Cc1nnc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)s1 ZINC000893086898 654381888 /nfs/dbraw/zinc/38/18/88/654381888.db2.gz VEOQTBPWUFDIIB-UHFFFAOYSA-N 1 0 386.568 2.415 20 0 GEADRO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872616724 654382006 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CN(C)S(=O)(=O)c1ccsc1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000922329782 654384068 /nfs/dbraw/zinc/38/40/68/654384068.db2.gz UYLXTNXZBSFXNY-UHFFFAOYSA-N 1 0 387.571 2.337 20 0 GEADRO CC[C@H](Sc1nc(CC(=O)OC[C@@H](C)[NH+]2CCCCC2)cs1)C(N)=O ZINC000893136816 654384732 /nfs/dbraw/zinc/38/47/32/654384732.db2.gz ZEDSTBVKZYXSJG-OCCSQVGLSA-N 1 0 385.555 2.459 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)OC[C@H](C)[NH+]2CCCCC2)cs1)C(N)=O ZINC000893136812 654384808 /nfs/dbraw/zinc/38/48/08/654384808.db2.gz ZEDSTBVKZYXSJG-GXTWGEPZSA-N 1 0 385.555 2.459 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000893174534 654386979 /nfs/dbraw/zinc/38/69/79/654386979.db2.gz BPYKNXHFMWDTLQ-CYBMUJFWSA-N 1 0 375.288 2.074 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)CC2CC2)C[C@@H]1C(F)(F)F ZINC000893167978 654387098 /nfs/dbraw/zinc/38/70/98/654387098.db2.gz QPSHSKPHDXSODD-MCIONIFRSA-N 1 0 385.448 2.311 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1Cl ZINC000872663247 654387287 /nfs/dbraw/zinc/38/72/87/654387287.db2.gz CIUMSTVEROHEBQ-CABCVRRESA-N 1 0 387.889 2.376 20 0 GEADRO COC(=O)c1cn([C@@H]2CCCN(c3cc[nH+]c(C)c3Br)C2)nn1 ZINC000893186872 654387992 /nfs/dbraw/zinc/38/79/92/654387992.db2.gz HUYUNOCEDGSNOW-LLVKDONJSA-N 1 0 380.246 2.372 20 0 GEADRO CN1CCCC[C@H]([N@H+](C)Cn2nc(Br)c(=O)c3ccccc32)C1=O ZINC000872674115 654388980 /nfs/dbraw/zinc/38/89/80/654388980.db2.gz IGMMMBRSCIBLSO-AWEZNQCLSA-N 1 0 393.285 2.059 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000893209565 654389451 /nfs/dbraw/zinc/38/94/51/654389451.db2.gz KTHIIILGWMBIAF-UVGYSCORSA-N 1 0 388.892 2.164 20 0 GEADRO O=c1c(Br)nn(C[N@@H+]2CCO[C@H](C(F)F)CC2)c2ccccc12 ZINC000872680313 654390049 /nfs/dbraw/zinc/39/00/49/654390049.db2.gz GCQDVHGVSCBXFQ-LBPRGKRZSA-N 1 0 388.212 2.473 20 0 GEADRO O[C@H](C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1)C[C@]1(O)CCOC1 ZINC000905919613 654390998 /nfs/dbraw/zinc/39/09/98/654390998.db2.gz PFMGJUSNEUUTAW-OKZBNKHCSA-N 1 0 384.314 2.358 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(CN3C(=O)c4ccc(Br)cc4C3=O)CC[C@H]21 ZINC000872722004 654392998 /nfs/dbraw/zinc/39/29/98/654392998.db2.gz AMNVXWJKZUBFQG-XHDPSFHLSA-N 1 0 378.270 2.029 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922454926 654394671 /nfs/dbraw/zinc/39/46/71/654394671.db2.gz KWHSIOGZDKEXQF-OIBJUYFYSA-N 1 0 389.159 2.224 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1Cl ZINC000855166201 654398993 /nfs/dbraw/zinc/39/89/93/654398993.db2.gz FNZGSUHVCONINM-CYBMUJFWSA-N 1 0 387.933 2.193 20 0 GEADRO C[C@H]1C[N@H+](CCCOC(=O)c2cn3ccc(Br)cc3n2)CCO1 ZINC000893386183 654399208 /nfs/dbraw/zinc/39/92/08/654399208.db2.gz ROPPKFHJPJHDLV-LBPRGKRZSA-N 1 0 382.258 2.364 20 0 GEADRO CSC1(CNC(=O)NCc2cc(C(F)(F)F)nn2C)CC[NH+](C)CC1 ZINC000922529787 654400187 /nfs/dbraw/zinc/40/01/87/654400187.db2.gz KNIXULCQLVMERE-UHFFFAOYSA-N 1 0 379.452 2.066 20 0 GEADRO C[C@]1(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)OCCc2sccc21 ZINC000922531293 654400190 /nfs/dbraw/zinc/40/01/90/654400190.db2.gz VLOVFWNXYUQTLQ-RVKKMQEKSA-N 1 0 381.567 2.415 20 0 GEADRO Cn1cc(C[NH2+][C@H](CO)CCc2ccccc2)c(I)n1 ZINC000922541863 654400513 /nfs/dbraw/zinc/40/05/13/654400513.db2.gz KUJAOPJBEIBFJH-AWEZNQCLSA-N 1 0 385.249 2.108 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCN(C)[C@H]1C ZINC000922555412 654401195 /nfs/dbraw/zinc/40/11/95/654401195.db2.gz TULRKLNYHZLTMY-HUBLWGQQSA-N 1 0 384.318 2.145 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@](C)(O)c1cccc(F)c1 ZINC000922563568 654401366 /nfs/dbraw/zinc/40/13/66/654401366.db2.gz ILEYJTNVCKMFKY-CQSZACIVSA-N 1 0 389.212 2.161 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2ccc(C)c(Br)c2C)CCS(=O)(=O)C1 ZINC000922618106 654404105 /nfs/dbraw/zinc/40/41/05/654404105.db2.gz FQQIBIXIMTTXLC-OAHLLOKOSA-N 1 0 376.316 2.359 20 0 GEADRO COc1cc(C[NH2+]C(C)(C)CNS(C)(=O)=O)c(F)cc1Br ZINC000922635960 654405445 /nfs/dbraw/zinc/40/54/45/654405445.db2.gz DSMFGORHZGYPIE-UHFFFAOYSA-N 1 0 383.283 2.014 20 0 GEADRO C[C@@H](CNC(=O)NCc1ccc(C(F)(F)F)s1)C[NH+]1CCN(C)CC1 ZINC000872924191 654405654 /nfs/dbraw/zinc/40/56/54/654405654.db2.gz PDOUJYJLMHLQIZ-LBPRGKRZSA-N 1 0 378.464 2.450 20 0 GEADRO Cc1c[nH+]ccc1N1CCC(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 ZINC000855271180 654405764 /nfs/dbraw/zinc/40/57/64/654405764.db2.gz CMLNWCHQIPMCOO-VWLOTQADSA-N 1 0 377.432 2.034 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1c(Br)cncc1Br ZINC000922666576 654406762 /nfs/dbraw/zinc/40/67/62/654406762.db2.gz AVOVBGQNYNASPV-MRVPVSSYSA-N 1 0 392.095 2.110 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2cc(F)ccc2Br)cn1 ZINC000893550443 654407626 /nfs/dbraw/zinc/40/76/26/654407626.db2.gz LXWJCLIARIIDAR-UHFFFAOYSA-N 1 0 398.280 2.075 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1Cl ZINC000922709388 654408701 /nfs/dbraw/zinc/40/87/01/654408701.db2.gz MHICSZMUTLAEMK-NSHDSACASA-N 1 0 385.839 2.104 20 0 GEADRO Cn1c2ccccc2c(Br)c1C[NH2+]CCC(=O)N1CCOCC1 ZINC000873018800 654410748 /nfs/dbraw/zinc/41/07/48/654410748.db2.gz YTTXTFMOXJAWBY-UHFFFAOYSA-N 1 0 380.286 2.279 20 0 GEADRO C[C@]1(Br)C[C@@H]1C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000893621274 654411399 /nfs/dbraw/zinc/41/13/99/654411399.db2.gz RDUGPXRVMAUAHB-NUJGCVRESA-N 1 0 381.314 2.220 20 0 GEADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC000855323575 654411792 /nfs/dbraw/zinc/41/17/92/654411792.db2.gz IKEVXDPUAVSRBE-FOGDFJRCSA-N 1 0 380.124 2.293 20 0 GEADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000873100899 654414889 /nfs/dbraw/zinc/41/48/89/654414889.db2.gz HZLYDALLICQXMX-LBPRGKRZSA-N 1 0 386.279 2.207 20 0 GEADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000873100916 654414952 /nfs/dbraw/zinc/41/49/52/654414952.db2.gz IPJMUHYTXQLUPD-AWEZNQCLSA-N 1 0 386.279 2.207 20 0 GEADRO Cc1sc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)nc1C(C)C ZINC000873106395 654415628 /nfs/dbraw/zinc/41/56/28/654415628.db2.gz IJMNBFWLJHYQGI-NXEZZACHSA-N 1 0 378.420 2.109 20 0 GEADRO 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VRMVDNZRQWHJSB-WCQYABFASA-N 1 0 383.286 2.286 20 0 GEADRO C[C@@H]([NH2+]Cc1c(I)cnn1C)[C@H](O)c1ccc(F)cc1 ZINC000894259568 654460510 /nfs/dbraw/zinc/46/05/10/654460510.db2.gz XHFYPBFAWNOVCR-OTYXRUKQSA-N 1 0 389.212 2.376 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)c(Br)n1 ZINC000906689312 654460619 /nfs/dbraw/zinc/46/06/19/654460619.db2.gz SAIGEHSCLVQTEC-UHFFFAOYSA-N 1 0 397.317 2.315 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)ccc1Br ZINC000906700709 654462004 /nfs/dbraw/zinc/46/20/04/654462004.db2.gz KCCJPIJBUBZQBR-AWEZNQCLSA-N 1 0 398.301 2.289 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000923531562 654462721 /nfs/dbraw/zinc/46/27/21/654462721.db2.gz JWIVTMGVYLRQDY-AWEZNQCLSA-N 1 0 382.306 2.399 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@H]1OC ZINC000894287036 654462771 /nfs/dbraw/zinc/46/27/71/654462771.db2.gz KUPWSWBJPKWMDE-RBSFLKMASA-N 1 0 381.416 2.391 20 0 GEADRO C[C@H](CCNCc1c(I)cnn1C)[NH+]1CCCCC1 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C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926646561 654578696 /nfs/dbraw/zinc/57/86/96/654578696.db2.gz ANJBVUQWGJHTLT-UVBJJODRSA-N 1 0 376.881 2.301 20 0 GEADRO CCO[C@@H](CNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl)C[NH+](C)C ZINC000926845252 654583463 /nfs/dbraw/zinc/58/34/63/654583463.db2.gz CWWFIIUANHQTOF-SMDDNHRTSA-N 1 0 378.300 2.293 20 0 GEADRO CCO[C@@H](CNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl)C[NH+](C)C ZINC000926838130 654583532 /nfs/dbraw/zinc/58/35/32/654583532.db2.gz YJRXMQGMJBISDM-FZMZJTMJSA-N 1 0 378.300 2.293 20 0 GEADRO Cc1nc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)sc1Br ZINC000907853576 654583479 /nfs/dbraw/zinc/58/34/79/654583479.db2.gz KMRVGAFNFFSOJT-UHFFFAOYSA-N 1 0 380.333 2.073 20 0 GEADRO CCO[C@H](CNC(=O)N[C@@H](CCO)c1ccc(Cl)c(F)c1)C[NH+](C)C ZINC000926855860 654583896 /nfs/dbraw/zinc/58/38/96/654583896.db2.gz XSDYMLMJDZRNBY-CJNGLKHVSA-N 1 0 375.872 2.169 20 0 GEADRO C[C@H]([NH2+]CCC1CC=CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000926952422 654584903 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GEADRO O=C(NCC1CC[NH2+]CC1)c1ccc(Cn2cc(Br)cn2)s1 ZINC000927768153 654613090 /nfs/dbraw/zinc/61/30/90/654613090.db2.gz OWIXOEVUBIKZGU-UHFFFAOYSA-N 1 0 383.315 2.485 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000927816238 654615443 /nfs/dbraw/zinc/61/54/43/654615443.db2.gz OOWXPFPDACBEOB-ZJUUUORDSA-N 1 0 388.693 2.321 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1F ZINC000927819124 654615730 /nfs/dbraw/zinc/61/57/30/654615730.db2.gz MHKAEYLURJABHE-MWLCHTKSSA-N 1 0 386.265 2.197 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C[C@H]1CC[NH3+] ZINC000927826502 654615858 /nfs/dbraw/zinc/61/58/58/654615858.db2.gz BUUHUVOSUHCVCK-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000927828095 654616258 /nfs/dbraw/zinc/61/62/58/654616258.db2.gz SIFYWMFLFWXPTI-GHMZBOCLSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000927832718 654616274 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POJUBTOHUUTARU-ZJUUUORDSA-N 1 0 379.766 2.025 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)C[C@@H]1[NH3+] ZINC000927854134 654617835 /nfs/dbraw/zinc/61/78/35/654617835.db2.gz SVYHIVAHVHSCCW-ZDUSSCGKSA-N 1 0 391.269 2.132 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cccc(Br)c1Cl)C(C)C ZINC000927865087 654618446 /nfs/dbraw/zinc/61/84/46/654618446.db2.gz OQJHSQTYMNWODX-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cccc(Cl)c1Br)C(C)C ZINC000927864734 654618453 /nfs/dbraw/zinc/61/84/53/654618453.db2.gz HDDAPRVFVKGBLX-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000927886210 654619549 /nfs/dbraw/zinc/61/95/49/654619549.db2.gz GRZPECSQXQJLDH-LLVKDONJSA-N 1 0 380.286 2.074 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000927889831 654620046 /nfs/dbraw/zinc/62/00/46/654620046.db2.gz JYCINXJPWHQCAI-GHMZBOCLSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c(Br)c1 ZINC000927890221 654620216 /nfs/dbraw/zinc/62/02/16/654620216.db2.gz MQHDKOREXRLSCD-STQMWFEESA-N 1 0 382.302 2.448 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c(F)cc1Br ZINC000927893363 654620728 /nfs/dbraw/zinc/62/07/28/654620728.db2.gz WUTOFBIKPUQPKE-WDEREUQCSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC000927895580 654620944 /nfs/dbraw/zinc/62/09/44/654620944.db2.gz ZJLLXGDLRXSQPB-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000927927541 654622052 /nfs/dbraw/zinc/62/20/52/654622052.db2.gz CCTTWHXRTAWKQZ-DTWKUNHWSA-N 1 0 379.766 2.421 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NC2(Cc3ccccc3Br)CC2)C1 ZINC000908362248 654622825 /nfs/dbraw/zinc/62/28/25/654622825.db2.gz IESIBFJYZSMSPH-GOSISDBHSA-N 1 0 381.314 2.487 20 0 GEADRO CSc1nc(C)c(CCC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(C)n1 ZINC000928095376 654630151 /nfs/dbraw/zinc/63/01/51/654630151.db2.gz JLSJWRIAVDTBHV-HZPDHXFCSA-N 1 0 380.583 2.444 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC12CCCCC2 ZINC000908571042 654634347 /nfs/dbraw/zinc/63/43/47/654634347.db2.gz ABTOXRIMGSMNPG-UHFFFAOYSA-N 1 0 385.917 2.078 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000908608343 654635610 /nfs/dbraw/zinc/63/56/10/654635610.db2.gz KCPRRIKEZWXZKE-UHFFFAOYSA-N 1 0 398.345 2.480 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000928354656 654641657 /nfs/dbraw/zinc/64/16/57/654641657.db2.gz RWKAKWOVBJQVBZ-CVEARBPZSA-N 1 0 380.286 2.228 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000928357277 654642607 /nfs/dbraw/zinc/64/26/07/654642607.db2.gz MNZWYOBZABNZJI-MRXNPFEDSA-N 1 0 381.318 2.001 20 0 GEADRO C[N@H+](CC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)[C@H]1CCSC1 ZINC000928359981 654643621 /nfs/dbraw/zinc/64/36/21/654643621.db2.gz YYJOYEMJBFVBNH-QWHCGFSZSA-N 1 0 385.331 2.340 20 0 GEADRO C[N@H+](CC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)[C@@H]1CCSC1 ZINC000928359979 654643705 /nfs/dbraw/zinc/64/37/05/654643705.db2.gz YYJOYEMJBFVBNH-CHWSQXEVSA-N 1 0 385.331 2.340 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000928364139 654645075 /nfs/dbraw/zinc/64/50/75/654645075.db2.gz QKKCHNBQQJZYNN-MRXNPFEDSA-N 1 0 381.318 2.145 20 0 GEADRO C[C@@H]1[C@H](NC(=O)c2ncc(Br)cc2Br)CC[N@@H+]1C ZINC000928438015 654646978 /nfs/dbraw/zinc/64/69/78/654646978.db2.gz LVZQDYXJPUVVCU-GMSGAONNSA-N 1 0 377.080 2.429 20 0 GEADRO C[C@@H]1[C@H](NC(=O)c2cc(I)c(F)cc2F)CC[N@@H+]1C ZINC000928440656 654647483 /nfs/dbraw/zinc/64/74/83/654647483.db2.gz MEMPIINENDGPPR-JMCQJSRRSA-N 1 0 380.176 2.392 20 0 GEADRO O=C1N[C@H](Cc2cccc(Cl)c2)C(=O)N1[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929012907 654670366 /nfs/dbraw/zinc/67/03/66/654670366.db2.gz PTWBPQGSEQFLJO-OWCLPIDISA-N 1 0 379.913 2.383 20 0 GEADRO CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CCC[N@H+](C)CC1 ZINC000929219570 654676121 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CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000929463634 654684457 /nfs/dbraw/zinc/68/44/57/654684457.db2.gz YFUUFZOIJCOXJL-OCCSQVGLSA-N 1 0 380.286 2.475 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000929462344 654684681 /nfs/dbraw/zinc/68/46/81/654684681.db2.gz JDKYWAVPCSTDRY-AAEUAGOBSA-N 1 0 380.286 2.475 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC[NH2+]C(C)(C)C)s1 ZINC000929660237 654689563 /nfs/dbraw/zinc/68/95/63/654689563.db2.gz RZVGCVFDLDBMEM-UHFFFAOYSA-N 1 0 375.560 2.173 20 0 GEADRO C[N@H+](C[C@H](O)C[C@@]1(O)CCOC1)CC1(c2ccc(Br)cc2)CC1 ZINC000929701635 654690411 /nfs/dbraw/zinc/69/04/11/654690411.db2.gz LIVRXUOCDWXPSH-AEFFLSMTSA-N 1 0 384.314 2.315 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(Br)CC2)[C@H](c2cnn(C)c2)C1 ZINC000910224808 654692761 /nfs/dbraw/zinc/69/27/61/654692761.db2.gz ZKWPKWCWEYUUDJ-CABCVRRESA-N 1 0 383.334 2.278 20 0 GEADRO Brc1ccc(CN2CC[NH+](C[C@@H]3C[C@H]4COC[C@H]4O3)CC2)cc1 ZINC000929845814 654693181 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Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)nnn1-c1ccccc1Br ZINC000911796688 654732255 /nfs/dbraw/zinc/73/22/55/654732255.db2.gz PHWSKJXKYIHQOS-PHIMTYICSA-N 1 0 378.274 2.161 20 0 GEADRO Cn1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)c(I)n1 ZINC000911788631 654732304 /nfs/dbraw/zinc/73/23/04/654732304.db2.gz COYLBACKGGMKJN-UHFFFAOYSA-N 1 0 396.232 2.076 20 0 GEADRO Cc1ccc(CNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)cc1Br ZINC000931192027 654732643 /nfs/dbraw/zinc/73/26/43/654732643.db2.gz ZFQHIAGFPBIRTM-UHFFFAOYSA-N 1 0 394.313 2.070 20 0 GEADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000931216391 654734035 /nfs/dbraw/zinc/73/40/35/654734035.db2.gz GLJCQFZGEJTZDE-UHFFFAOYSA-N 1 0 395.345 2.441 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000911863926 654734607 /nfs/dbraw/zinc/73/46/07/654734607.db2.gz KWCUQMAEHDUWAO-UHFFFAOYSA-N 1 0 382.302 2.407 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cnnn1-c1ccccc1Br ZINC000911871863 654734788 /nfs/dbraw/zinc/73/47/88/654734788.db2.gz WAUZSLKMGXSXCS-CYBMUJFWSA-N 1 0 380.290 2.475 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000911934240 654736597 /nfs/dbraw/zinc/73/65/97/654736597.db2.gz AIRZGZRQCFMTII-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO CO[C@@H](C(=O)N(CCO)C1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000911933547 654736678 /nfs/dbraw/zinc/73/66/78/654736678.db2.gz LBWXLRQUJJAJLG-CQSZACIVSA-N 1 0 391.331 2.113 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)NCCc2ccc(Cl)cc2)c1=O ZINC000911939290 654736940 /nfs/dbraw/zinc/73/69/40/654736940.db2.gz MROLOMJCOIZTHR-UHFFFAOYSA-N 1 0 398.688 2.195 20 0 GEADRO OCCCC[NH+]1CCN(c2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911939581 654736950 /nfs/dbraw/zinc/73/69/50/654736950.db2.gz YGJIFOGKTTWDEI-UHFFFAOYSA-N 1 0 381.274 2.394 20 0 GEADRO C[NH+]1C[C@]2(C)CN(C[C@@H](O)COc3ccc(Br)cc3)C[C@@]2(C)C1 ZINC000931305568 654737907 /nfs/dbraw/zinc/73/79/07/654737907.db2.gz ZOISXJWYRRYXHC-KBAYOESNSA-N 1 0 383.330 2.462 20 0 GEADRO COC(=O)Cc1csc(NC(=O)c2cnc(CC3CC[NH2+]CC3)s2)n1 ZINC000911979424 654738561 /nfs/dbraw/zinc/73/85/61/654738561.db2.gz XRYILMIKTCHOFE-UHFFFAOYSA-N 1 0 380.495 2.110 20 0 GEADRO Cc1ccc(CN(C)C(=O)c2cc(Br)cn(CC[NH3+])c2=O)cc1 ZINC000912008200 654739470 /nfs/dbraw/zinc/73/94/70/654739470.db2.gz SMWRWZBEQOSWNN-UHFFFAOYSA-N 1 0 378.270 2.150 20 0 GEADRO COC(=O)CCCNC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912039421 654740576 /nfs/dbraw/zinc/74/05/76/654740576.db2.gz CYPWLAXXELZSEH-UHFFFAOYSA-N 1 0 383.286 2.140 20 0 GEADRO O=C(NN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000912045879 654741046 /nfs/dbraw/zinc/74/10/46/654741046.db2.gz GCJCEIWSQXECET-SMDDNHRTSA-N 1 0 392.253 2.093 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931479756 654743307 /nfs/dbraw/zinc/74/33/07/654743307.db2.gz AYWKYWUPLJSGAV-HNNXBMFYSA-N 1 0 385.302 2.052 20 0 GEADRO C[NH+](C)CC1(O)CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000931488044 654743783 /nfs/dbraw/zinc/74/37/83/654743783.db2.gz LTPFNKNZLMUEEH-UHFFFAOYSA-N 1 0 395.301 2.388 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931486646 654743953 /nfs/dbraw/zinc/74/39/53/654743953.db2.gz UTUBHSLYKWLDGB-CYBMUJFWSA-N 1 0 384.318 2.165 20 0 GEADRO Cc1cnc(Br)c(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000931507835 654744656 /nfs/dbraw/zinc/74/46/56/654744656.db2.gz DZTRUUFJUXMZSO-UONOGXRCSA-N 1 0 383.290 2.215 20 0 GEADRO CC[C@H](C)C[C@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000912168661 654744583 /nfs/dbraw/zinc/74/45/83/654744583.db2.gz KAYJHGPQTVYYCO-JSGCOSHPSA-N 1 0 375.560 2.158 20 0 GEADRO Nc1cc[nH+]c2c1CN(C[C@@H](O)COc1cc(F)cc(Br)c1)CC2 ZINC000931518986 654745163 /nfs/dbraw/zinc/74/51/63/654745163.db2.gz PNVYRGXHYWUSML-CYBMUJFWSA-N 1 0 396.260 2.363 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(-c2nnc(Br)o2)cc1 ZINC000912208115 654746023 /nfs/dbraw/zinc/74/60/23/654746023.db2.gz MYXLOMVAKYPABA-NWDGAFQWSA-N 1 0 381.274 2.390 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000912284324 654748707 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CC(C)n1cc(Br)c(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)n1 ZINC000913770286 654808607 /nfs/dbraw/zinc/80/86/07/654808607.db2.gz MFTDKVXLQDIIKR-UHFFFAOYSA-N 1 0 399.333 2.411 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)NCC(=O)c2sc3ccccc3c2Cl)C1 ZINC000913790459 654809321 /nfs/dbraw/zinc/80/93/21/654809321.db2.gz WECPBCIEHGBBGI-UHFFFAOYSA-N 1 0 379.913 2.347 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000913814425 654810463 /nfs/dbraw/zinc/81/04/63/654810463.db2.gz VSZGPESIBXDTIT-LSDHHAIUSA-N 1 0 380.286 2.254 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000913814422 654810475 /nfs/dbraw/zinc/81/04/75/654810475.db2.gz VSZGPESIBXDTIT-CABCVRRESA-N 1 0 380.286 2.254 20 0 GEADRO C[C@H](NC(=O)c1cc(Br)cnc1C1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000933381859 654810800 /nfs/dbraw/zinc/81/08/00/654810800.db2.gz DQXOQTYWEAFLNH-NHYWBVRUSA-N 1 0 381.318 2.086 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000933438827 654813461 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C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1CS(N)(=O)=O ZINC000933699733 654820580 /nfs/dbraw/zinc/82/05/80/654820580.db2.gz MAQVIEPDHSMENX-MNOVXSKESA-N 1 0 394.324 2.178 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC(C)(C)CS(C)(=O)=O)C1 ZINC000914101476 654826728 /nfs/dbraw/zinc/82/67/28/654826728.db2.gz JDDNRJSXUYVHBQ-HOTGVXAUSA-N 1 0 375.579 2.115 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccsc2Br)CCOCC1 ZINC000914112395 654827406 /nfs/dbraw/zinc/82/74/06/654827406.db2.gz JVANEIITOIJLSY-UHFFFAOYSA-N 1 0 397.360 2.041 20 0 GEADRO CC[N@H+](CCC(=O)NC)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000933866711 654828706 /nfs/dbraw/zinc/82/87/06/654828706.db2.gz SOVSAWLXEVHJIE-GFCCVEGCSA-N 1 0 393.709 2.300 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]1C1OCCO1 ZINC000933907167 654829389 /nfs/dbraw/zinc/82/93/89/654829389.db2.gz JYSJVXSWKZAWBG-HNNXBMFYSA-N 1 0 383.286 2.245 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCCSC[C@@H]2C2CC2)CCC1 ZINC000933911163 654829669 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O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(=O)[nH]cc1Br ZINC000934911770 654866366 /nfs/dbraw/zinc/86/63/66/654866366.db2.gz DEQMHYGVPDRCRZ-LSDHHAIUSA-N 1 0 398.301 2.047 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000915298134 654868262 /nfs/dbraw/zinc/86/82/62/654868262.db2.gz HSDYZNDQCLPIHR-CHWSQXEVSA-N 1 0 387.933 2.241 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000915593288 654874087 /nfs/dbraw/zinc/87/40/87/654874087.db2.gz JTGIQHARTFCMBR-GXTWGEPZSA-N 1 0 397.317 2.478 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(C(=O)C3(n4cc(Br)cn4)CC3)C2)CC1 ZINC000935085434 654874840 /nfs/dbraw/zinc/87/48/40/654874840.db2.gz QHGFKCDXJRJZAI-AWEZNQCLSA-N 1 0 381.318 2.325 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc(Br)c1OC ZINC000915620593 654875043 /nfs/dbraw/zinc/87/50/43/654875043.db2.gz GSHGPMHNDRGCMX-ZWNOBZJWSA-N 1 0 386.290 2.358 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)C[C@@H]1[NH+](C)C ZINC000935112799 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CSc1cccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164714336 720194852 /nfs/dbraw/zinc/19/48/52/720194852.db2.gz FWJLFRGUJHBVRL-INIZCTEOSA-N 1 0 388.541 2.148 20 0 GEADRO Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(C(C)C)n1 ZINC001164713337 720195970 /nfs/dbraw/zinc/19/59/70/720195970.db2.gz BHMQJAQFTXERPT-GOSISDBHSA-N 1 0 399.543 2.253 20 0 GEADRO Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(C(C)C)n1 ZINC001164713339 720197117 /nfs/dbraw/zinc/19/71/17/720197117.db2.gz BHMQJAQFTXERPT-SFHVURJKSA-N 1 0 399.543 2.253 20 0 GEADRO Cc1nc(Cl)cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164814151 720206675 /nfs/dbraw/zinc/20/66/75/720206675.db2.gz TVMWAHYPJBKRPZ-UHFFFAOYSA-N 1 0 376.892 2.246 20 0 GEADRO Cc1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1NC(C)C ZINC001164812967 720209627 /nfs/dbraw/zinc/20/96/27/720209627.db2.gz NPDIUORJAOQKIZ-UHFFFAOYSA-N 1 0 399.543 2.413 20 0 GEADRO Cc1nnc(Cl)cc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164811399 720216136 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RFDBUXSQDSDELA-UHFFFAOYSA-N 1 0 388.249 2.086 20 0 GEADRO C[NH+](C)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000156168744 531718625 /nfs/dbraw/zinc/71/86/25/531718625.db2.gz QZHMDIBUHYERPS-OAHLLOKOSA-N 1 0 382.302 2.122 20 0 GEADRO CC(=O)NCC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000047772420 531719126 /nfs/dbraw/zinc/71/91/26/531719126.db2.gz OWFDXXGEIFBVAW-INIZCTEOSA-N 1 0 385.302 2.037 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000156169582 531719208 /nfs/dbraw/zinc/71/92/08/531719208.db2.gz ZLKHJGLPNFLANK-UHFFFAOYSA-N 1 0 388.693 2.499 20 0 GEADRO CC1CC[NH+](CCCNC(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000156186553 531720742 /nfs/dbraw/zinc/72/07/42/531720742.db2.gz LJQLHHDTLNNEEL-UHFFFAOYSA-N 1 0 385.306 2.391 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000156190679 531721411 /nfs/dbraw/zinc/72/14/11/531721411.db2.gz OKUIKXOISPFKRY-MNOVXSKESA-N 1 0 398.248 2.138 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)c(=O)n(C)c2)[C@H](C)C1 ZINC000156218603 531722365 /nfs/dbraw/zinc/72/23/65/531722365.db2.gz WXCHJTFSPCINJA-BXUZGUMPSA-N 1 0 385.306 2.342 20 0 GEADRO COc1cc(CNC(=O)NC2CC[NH+](C)CC2)cc(Br)c1OC ZINC000157210475 531734026 /nfs/dbraw/zinc/73/40/26/531734026.db2.gz GJWCIMXDBAGULL-UHFFFAOYSA-N 1 0 386.290 2.360 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2cccc(I)c2)CC1 ZINC000049142897 531734281 /nfs/dbraw/zinc/73/42/81/531734281.db2.gz ODAFAIDNXKRLRW-UHFFFAOYSA-N 1 0 388.249 2.132 20 0 GEADRO CC[NH+]1CCN(Cc2cc(I)c(OC)c(OC)c2)CC1 ZINC000157432242 531742535 /nfs/dbraw/zinc/74/25/35/531742535.db2.gz MBUWGNZBHAADKR-UHFFFAOYSA-N 1 0 390.265 2.446 20 0 GEADRO O=C1NCCN1C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000051449870 531742712 /nfs/dbraw/zinc/74/27/12/531742712.db2.gz QVLIDWTUVXXTPM-CQSZACIVSA-N 1 0 388.295 2.223 20 0 GEADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000157480871 531743688 /nfs/dbraw/zinc/74/36/88/531743688.db2.gz UPFDXXCUFDFRSV-INIZCTEOSA-N 1 0 375.922 2.084 20 0 GEADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)S(C)(=O)=O ZINC000051653529 531744315 /nfs/dbraw/zinc/74/43/15/531744315.db2.gz YULBARLOZMTFTA-OAHLLOKOSA-N 1 0 387.571 2.061 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000157200773 531733371 /nfs/dbraw/zinc/73/33/71/531733371.db2.gz PZKGSELTMKGHCO-UHFFFAOYSA-N 1 0 382.507 2.404 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000157762588 531754335 /nfs/dbraw/zinc/75/43/35/531754335.db2.gz ODWDPVRVSUDTRH-UHFFFAOYSA-N 1 0 393.329 2.179 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC[NH+]1CCCCC1 ZINC000053212974 531756645 /nfs/dbraw/zinc/75/66/45/531756645.db2.gz RTSONVPNWIDCIF-LLVKDONJSA-N 1 0 388.331 2.231 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000158019619 531761484 /nfs/dbraw/zinc/76/14/84/531761484.db2.gz WUSMNUHPGVALLH-LBPRGKRZSA-N 1 0 396.289 2.286 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000158026193 531762064 /nfs/dbraw/zinc/76/20/64/531762064.db2.gz LLOKUAWJMZZVKW-LBPRGKRZSA-N 1 0 396.289 2.144 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)C1 ZINC000158128830 531767366 /nfs/dbraw/zinc/76/73/66/531767366.db2.gz NPFKVQKJQKLSGL-CYBMUJFWSA-N 1 0 385.555 2.313 20 0 GEADRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000053616160 531768057 /nfs/dbraw/zinc/76/80/57/531768057.db2.gz AJVBVJOGVVSFKG-CQSZACIVSA-N 1 0 394.269 2.375 20 0 GEADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCCCN1CCOCC1 ZINC000158202178 531769309 /nfs/dbraw/zinc/76/93/09/531769309.db2.gz XURFKDGALCVSOZ-CQSZACIVSA-N 1 0 397.313 2.497 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000158280205 531772804 /nfs/dbraw/zinc/77/28/04/531772804.db2.gz HXLQTBLDFCPLEI-LKFCYVNXSA-N 1 0 376.320 2.119 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000158263091 531773522 /nfs/dbraw/zinc/77/35/22/531773522.db2.gz RDSSDBMMBHGWOX-YJBOKZPZSA-N 1 0 384.567 2.380 20 0 GEADRO C[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000054148126 531774372 /nfs/dbraw/zinc/77/43/72/531774372.db2.gz MENMTMSUNXTNLG-HNNXBMFYSA-N 1 0 380.286 2.012 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)COc2ccc(Br)cc2F)n1 ZINC000623175848 531800471 /nfs/dbraw/zinc/80/04/71/531800471.db2.gz APFFMAIEWTUVCJ-UHFFFAOYSA-N 1 0 385.237 2.364 20 0 GEADRO COCC[NH2+]CCNC(=O)c1cc(Br)ccc1Br ZINC000160998464 531822620 /nfs/dbraw/zinc/82/26/20/531822620.db2.gz QPICHLGPLMEJHJ-UHFFFAOYSA-N 1 0 380.080 2.177 20 0 GEADRO CNC(=O)c1cccc(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162150063 531835316 /nfs/dbraw/zinc/83/53/16/531835316.db2.gz ULRRNKKPQOBEDF-INIZCTEOSA-N 1 0 390.281 2.167 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(OC)ccc1Br ZINC000162178070 531837351 /nfs/dbraw/zinc/83/73/51/531837351.db2.gz RZXAQKBPQCIMHB-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000162213373 531839866 /nfs/dbraw/zinc/83/98/66/531839866.db2.gz MFIOTNVGCPXQDR-LBPRGKRZSA-N 1 0 392.301 2.326 20 0 GEADRO 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COc1cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)ccc1Br ZINC000175256054 532094682 /nfs/dbraw/zinc/09/46/82/532094682.db2.gz PWQQIOPUVGGNQI-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175250187 532095348 /nfs/dbraw/zinc/09/53/48/532095348.db2.gz UONWTCZVDBZCIU-LLVKDONJSA-N 1 0 388.331 2.056 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(OC)ccc1Br ZINC000175271721 532096435 /nfs/dbraw/zinc/09/64/35/532096435.db2.gz VXCAQRMTDLBFMU-NSHDSACASA-N 1 0 379.320 2.466 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000123765684 532107745 /nfs/dbraw/zinc/10/77/45/532107745.db2.gz YWDQRAXKAZGTQO-HNNXBMFYSA-N 1 0 387.571 2.010 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)c1cccs1 ZINC000123815762 532108986 /nfs/dbraw/zinc/10/89/86/532108986.db2.gz YAYWOYIHWCDDGY-AWEZNQCLSA-N 1 0 385.486 2.291 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(Br)cc1Cl ZINC000123870167 532109889 /nfs/dbraw/zinc/10/98/89/532109889.db2.gz HTHJTGJRWCNLJY-CQSZACIVSA-N 1 0 378.698 2.214 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)NCc2cc(Br)cs2)CC1 ZINC000175640950 532110109 /nfs/dbraw/zinc/11/01/09/532110109.db2.gz KMPDTFJLNRFPFU-UHFFFAOYSA-N 1 0 389.363 2.336 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cn1cc(Br)ccc1=O ZINC000175658750 532111189 /nfs/dbraw/zinc/11/11/89/532111189.db2.gz YFLNRTRVXGRZPF-UHFFFAOYSA-N 1 0 398.326 2.263 20 0 GEADRO COC(=O)[C@@H](C)CS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000175335747 532099784 /nfs/dbraw/zinc/09/97/84/532099784.db2.gz XPBNPZGOWFBKAL-GJZGRUSLSA-N 1 0 388.555 2.250 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000123493810 532099902 /nfs/dbraw/zinc/09/99/02/532099902.db2.gz IBQOQIPMBPNXAP-UHFFFAOYSA-N 1 0 380.341 2.251 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ncn(C)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000175848108 532117001 /nfs/dbraw/zinc/11/70/01/532117001.db2.gz LXAYYVFHIZTKCY-ZFWWWQNUSA-N 1 0 382.917 2.405 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(Br)ccc1F 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20 0 GEADRO COc1nc(NCc2cccnc2N2CC[NH+](C)CC2)ncc1Br ZINC000176239229 532130691 /nfs/dbraw/zinc/13/06/91/532130691.db2.gz MGLGZQNMTJWUDJ-UHFFFAOYSA-N 1 0 393.289 2.007 20 0 GEADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000124855285 532130707 /nfs/dbraw/zinc/13/07/07/532130707.db2.gz HOWYORNNUUYART-SECBINFHSA-N 1 0 397.722 2.484 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176244572 532131899 /nfs/dbraw/zinc/13/18/99/532131899.db2.gz BGFCNWKUNYRLSB-MRXNPFEDSA-N 1 0 396.329 2.355 20 0 GEADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC(OCCC[NH3+])CC1 ZINC000124985508 532132231 /nfs/dbraw/zinc/13/22/31/532132231.db2.gz UNGLZJMHPRHFND-UHFFFAOYSA-N 1 0 391.331 2.276 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cncc(I)c2)C1 ZINC000125153991 532133310 /nfs/dbraw/zinc/13/33/10/532133310.db2.gz MVONUFAXVUDCND-GFCCVEGCSA-N 1 0 387.265 2.490 20 0 GEADRO CCC[NH+]1CCC([N-]S(=O)(=O)c2nc(C)c(Br)s2)CC1 ZINC000125516886 532137135 /nfs/dbraw/zinc/13/71/35/532137135.db2.gz XBVHFTRWLBMLBD-UHFFFAOYSA-N 1 0 382.349 2.367 20 0 GEADRO CN(CC[NH+](C)C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000176808149 532149980 /nfs/dbraw/zinc/14/99/80/532149980.db2.gz LVHMPLMQVQNORM-OAHLLOKOSA-N 1 0 382.302 2.074 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000176820273 532151402 /nfs/dbraw/zinc/15/14/02/532151402.db2.gz JNSYSEQDMPQKMB-UHFFFAOYSA-N 1 0 397.722 2.484 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000176865405 532151780 /nfs/dbraw/zinc/15/17/80/532151780.db2.gz VOFLNVOWJDYXNZ-CYBMUJFWSA-N 1 0 390.311 2.196 20 0 GEADRO C[C@@H](NC(=O)CNC(=O)c1ccc(Br)s1)C(C)(C)C[NH+](C)C ZINC000176636006 532144007 /nfs/dbraw/zinc/14/40/07/532144007.db2.gz TYDCXOUSXVQDOB-SNVBAGLBSA-N 1 0 390.347 2.333 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2cccc(I)c2)CC1 ZINC000126122760 532144819 /nfs/dbraw/zinc/14/48/19/532144819.db2.gz NTTMWYREAZHIDJ-UHFFFAOYSA-N 1 0 388.249 2.261 20 0 GEADRO CC(=O)N[C@H](CC(=O)NCC(C)(C)[NH+](C)C)c1ccc(Br)cc1 ZINC000126174129 532146441 /nfs/dbraw/zinc/14/64/41/532146441.db2.gz CPJDUHPOMYXHSQ-OAHLLOKOSA-N 1 0 384.318 2.473 20 0 GEADRO O=C(Nc1cncc(Br)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000126294097 532147764 /nfs/dbraw/zinc/14/77/64/532147764.db2.gz FAXSFVMSZTXCSH-CYBMUJFWSA-N 1 0 383.290 2.420 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1Br ZINC000126489819 532149047 /nfs/dbraw/zinc/14/90/47/532149047.db2.gz ILQHBRWTBNWPTK-LBPRGKRZSA-N 1 0 386.290 2.041 20 0 GEADRO Cn1cncc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000177259957 532166827 /nfs/dbraw/zinc/16/68/27/532166827.db2.gz XAKYLACDSUQVKV-LBPRGKRZSA-N 1 0 378.274 2.428 20 0 GEADRO COc1nc(N2CC[NH+](CC3(O)CCC(C)CC3)CC2)ncc1Br ZINC000176923006 532155792 /nfs/dbraw/zinc/15/57/92/532155792.db2.gz SSODAXCJHJSTDO-UHFFFAOYSA-N 1 0 399.333 2.311 20 0 GEADRO CC(C)N(CCCNC(=O)C[N@H+](C)C1CCC(C)(C)CC1)S(C)(=O)=O ZINC000127627675 532156093 /nfs/dbraw/zinc/15/60/93/532156093.db2.gz IRJAWUYMUIRXPQ-UHFFFAOYSA-N 1 0 375.579 2.063 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2sc(C)nc2C)[C@H](C)C1 ZINC000176925043 532156227 /nfs/dbraw/zinc/15/62/27/532156227.db2.gz MJMXUWCHDHTGMS-DOMZBBRYSA-N 1 0 375.560 2.175 20 0 GEADRO Cc1cc(COc2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2Br)no1 ZINC000127881952 532158560 /nfs/dbraw/zinc/15/85/60/532158560.db2.gz FLQFWCPQJBOPIT-GFCCVEGCSA-N 1 0 380.242 2.416 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000177025877 532159781 /nfs/dbraw/zinc/15/97/81/532159781.db2.gz LXVSKHNQINMECF-UHFFFAOYSA-N 1 0 386.290 2.161 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177131562 532162602 /nfs/dbraw/zinc/16/26/02/532162602.db2.gz KRAFTHUVVCJUKQ-CQSZACIVSA-N 1 0 398.345 2.359 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000128222490 532162596 /nfs/dbraw/zinc/16/25/96/532162596.db2.gz ZOSQHPKTXSTEKI-JTQLQIEISA-N 1 0 388.693 2.417 20 0 GEADRO CC1(C)Cc2cc(C[NH2+]C[C@H](O)CS(=O)(=O)c3cccs3)ccc2O1 ZINC000129450489 532178798 /nfs/dbraw/zinc/17/87/98/532178798.db2.gz DSIVUNXNVIBCQA-HNNXBMFYSA-N 1 0 381.519 2.386 20 0 GEADRO O=C1C[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)C(=O)N1c1ccc(Br)cc1 ZINC000129416427 532178805 /nfs/dbraw/zinc/17/88/05/532178805.db2.gz BWFLAGIBUJCIQC-PBHICJAKSA-N 1 0 379.254 2.193 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000177701254 532179440 /nfs/dbraw/zinc/17/94/40/532179440.db2.gz UKVIJAYZNNNTBB-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000129696118 532181574 /nfs/dbraw/zinc/18/15/74/532181574.db2.gz QHPKFSSIAHMGGL-UHFFFAOYSA-N 1 0 385.961 2.318 20 0 GEADRO CC[C@H](C(N)=O)[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177454466 532171563 /nfs/dbraw/zinc/17/15/63/532171563.db2.gz AFKJEAVTXZHVSW-CYBMUJFWSA-N 1 0 388.249 2.398 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000129895918 532185553 /nfs/dbraw/zinc/18/55/53/532185553.db2.gz PSOKWISCJAVVDL-LBPRGKRZSA-N 1 0 399.563 2.018 20 0 GEADRO [NH3+][C@H](CNS(=O)(=O)c1cc(Br)ccc1Br)C1CC1 ZINC000129250888 532175015 /nfs/dbraw/zinc/17/50/15/532175015.db2.gz IJQVIVKYDPEUBC-SNVBAGLBSA-N 1 0 398.120 2.227 20 0 GEADRO CC1(C)Cc2cccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c3cccs3)c2O1 ZINC000129367083 532177387 /nfs/dbraw/zinc/17/73/87/532177387.db2.gz JVEQBQRWYGRNPG-OAHLLOKOSA-N 1 0 381.519 2.386 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000178019337 532190974 /nfs/dbraw/zinc/19/09/74/532190974.db2.gz IWBFTUGRLDRBHY-CABCVRRESA-N 1 0 394.313 2.327 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000130717473 532193359 /nfs/dbraw/zinc/19/33/59/532193359.db2.gz QZKHLBIHZVOREY-ONGXEEELSA-N 1 0 388.331 2.085 20 0 GEADRO CS(=O)(=O)CCC[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000178303870 532199239 /nfs/dbraw/zinc/19/92/39/532199239.db2.gz YYRJJVXRNFFRHC-GOSISDBHSA-N 1 0 381.519 2.204 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000177964537 532187870 /nfs/dbraw/zinc/18/78/70/532187870.db2.gz ROFXXFUWLCQTEW-UHFFFAOYSA-N 1 0 385.306 2.391 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000178019310 532190282 /nfs/dbraw/zinc/19/02/82/532190282.db2.gz IWBFTUGRLDRBHY-GJZGRUSLSA-N 1 0 394.313 2.327 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000178019299 532190701 /nfs/dbraw/zinc/19/07/01/532190701.db2.gz IWBFTUGRLDRBHY-LSDHHAIUSA-N 1 0 394.313 2.327 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C)nc3Br)C2)CC1 ZINC000132086413 532208337 /nfs/dbraw/zinc/20/83/37/532208337.db2.gz PMPMDMHFPIGKID-AWEZNQCLSA-N 1 0 381.318 2.005 20 0 GEADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NC[C@@H]1CCC[NH2+]1 ZINC000178720273 532210793 /nfs/dbraw/zinc/21/07/93/532210793.db2.gz MSBCNQGHDCUVPE-JTQLQIEISA-N 1 0 385.287 2.361 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)C1 ZINC000178972889 532219071 /nfs/dbraw/zinc/21/90/71/532219071.db2.gz WZRFCLQVQPCXLA-ZDUSSCGKSA-N 1 0 387.933 2.050 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)c2ccc(Br)cc2I)C1 ZINC000132306956 532212466 /nfs/dbraw/zinc/21/24/66/532212466.db2.gz GDFNJGCMGXCYHG-QMMMGPOBSA-N 1 0 395.038 2.227 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178822339 532214249 /nfs/dbraw/zinc/21/42/49/532214249.db2.gz IYRYPJCPXQBGOM-GJZGRUSLSA-N 1 0 396.329 2.430 20 0 GEADRO COC[C@@](C)(CCO)[NH2+]CCCOc1cccc(I)c1 ZINC000132561395 532218208 /nfs/dbraw/zinc/21/82/08/532218208.db2.gz ZPLGGQLRHXREMI-OAHLLOKOSA-N 1 0 393.265 2.437 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C[NH2+]C)C2)c1 ZINC000178963517 532218534 /nfs/dbraw/zinc/21/85/34/532218534.db2.gz FOZCMVLUMNYFFU-CYBMUJFWSA-N 1 0 387.933 2.052 20 0 GEADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000178411958 532201242 /nfs/dbraw/zinc/20/12/42/532201242.db2.gz QLOLTMVFBYWSHU-KRWDZBQOSA-N 1 0 378.881 2.117 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178432682 532201722 /nfs/dbraw/zinc/20/17/22/532201722.db2.gz DDYZZDFZWPEIHA-CYBMUJFWSA-N 1 0 385.277 2.311 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000179395971 532229606 /nfs/dbraw/zinc/22/96/06/532229606.db2.gz PLTGGXYYLPDSPA-CQSZACIVSA-N 1 0 394.313 2.388 20 0 GEADRO C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)c3c(F)cccc3Cl)C2)CC1 ZINC000133223133 532229583 /nfs/dbraw/zinc/22/95/83/532229583.db2.gz AILPZIAVLCOHHB-AWEZNQCLSA-N 1 0 389.924 2.270 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000133280655 532230591 /nfs/dbraw/zinc/23/05/91/532230591.db2.gz DHOFSLWLQBWNPI-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000179516075 532233579 /nfs/dbraw/zinc/23/35/79/532233579.db2.gz INGDIZCXRANFQY-STQMWFEESA-N 1 0 390.285 2.422 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Br)cc1C ZINC000133420084 532234725 /nfs/dbraw/zinc/23/47/25/532234725.db2.gz MQLWMWKQLXLVGM-CQSZACIVSA-N 1 0 393.347 2.393 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000179009828 532220568 /nfs/dbraw/zinc/22/05/68/532220568.db2.gz BZEGICVIKQYKMR-LLVKDONJSA-N 1 0 381.249 2.455 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000179165534 532223588 /nfs/dbraw/zinc/22/35/88/532223588.db2.gz UIAFSDHVJYKVRQ-UHFFFAOYSA-N 1 0 396.207 2.474 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000133650152 532240652 /nfs/dbraw/zinc/24/06/52/532240652.db2.gz QROQBXOTQAUQIX-BXUZGUMPSA-N 1 0 377.432 2.349 20 0 GEADRO C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)c3ccc(F)cc3Cl)C2)CC1 ZINC000179674179 532241009 /nfs/dbraw/zinc/24/10/09/532241009.db2.gz SARGGWANCQQXPK-OAHLLOKOSA-N 1 0 389.924 2.270 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000133737916 532241532 /nfs/dbraw/zinc/24/15/32/532241532.db2.gz FKNLPVYBLXHOFV-SJORKVTESA-N 1 0 384.567 2.423 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000133788383 532242195 /nfs/dbraw/zinc/24/21/95/532242195.db2.gz IDNVDPXQNDZWLJ-CHWSQXEVSA-N 1 0 386.901 2.374 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179730053 532242331 /nfs/dbraw/zinc/24/23/31/532242331.db2.gz OXONZEKRCRRNPS-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000133744676 532242678 /nfs/dbraw/zinc/24/26/78/532242678.db2.gz NURIISUWZAXHJS-CYBMUJFWSA-N 1 0 387.933 2.241 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1Br ZINC000179758618 532242937 /nfs/dbraw/zinc/24/29/37/532242937.db2.gz SJYYPHOBQOHPII-UHFFFAOYSA-N 1 0 387.322 2.214 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cc(Br)cnc12 ZINC000179763503 532243363 /nfs/dbraw/zinc/24/33/63/532243363.db2.gz BIRAEHPBQHHDDS-OLZOCXBDSA-N 1 0 378.274 2.191 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000133845551 532243730 /nfs/dbraw/zinc/24/37/30/532243730.db2.gz MYXODPZXRIRXDA-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO COc1ccc(Br)c(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000133882855 532244606 /nfs/dbraw/zinc/24/46/06/532244606.db2.gz WSWSERBEHBRCJJ-HNNXBMFYSA-N 1 0 399.329 2.353 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2C)C1 ZINC000179809535 532244908 /nfs/dbraw/zinc/24/49/08/532244908.db2.gz LNTJKDATXLSJCX-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000133902343 532245570 /nfs/dbraw/zinc/24/55/70/532245570.db2.gz XRXTUKNYJJRFMQ-LLVKDONJSA-N 1 0 386.265 2.327 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1 ZINC000179869577 532248266 /nfs/dbraw/zinc/24/82/66/532248266.db2.gz HNJHOPAHLWSWFP-NSHDSACASA-N 1 0 376.425 2.026 20 0 GEADRO O=C([C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)C1)N1CCOCC1 ZINC000179894001 532248857 /nfs/dbraw/zinc/24/88/57/532248857.db2.gz YGNNBRLHMHWDKS-CYBMUJFWSA-N 1 0 383.286 2.226 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000134139893 532251298 /nfs/dbraw/zinc/25/12/98/532251298.db2.gz PAQVSEAPHSFTIO-LLVKDONJSA-N 1 0 386.265 2.327 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(F)c(F)cc1Br ZINC000133481399 532236892 /nfs/dbraw/zinc/23/68/92/532236892.db2.gz VCEMKEZOIGUJCC-UHFFFAOYSA-N 1 0 390.272 2.437 20 0 GEADRO COCCNc1nc(NCc2nccs2)nc(NCc2nccs2)[nH+]1 ZINC000180406402 532270135 /nfs/dbraw/zinc/27/01/35/532270135.db2.gz TWAUJINOEDXFAR-UHFFFAOYSA-N 1 0 378.487 2.067 20 0 GEADRO Cc1cc(NC(=O)C[NH2+]C(C)(C)COc2ncccc2Br)n(C)n1 ZINC000180393745 532270341 /nfs/dbraw/zinc/27/03/41/532270341.db2.gz BUCLKWACHLHJEZ-UHFFFAOYSA-N 1 0 396.289 2.272 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](Oc3ccc(Cl)cn3)C2)C1 ZINC000135333978 532270855 /nfs/dbraw/zinc/27/08/55/532270855.db2.gz NSMSOTCGXWXPIG-ZBFHGGJFSA-N 1 0 387.933 2.250 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(Cc2ncc(Br)cc2Br)CCO1 ZINC000135331110 532271136 /nfs/dbraw/zinc/27/11/36/532271136.db2.gz GOCXDGQLXNCBPY-UFBFGSQYSA-N 1 0 379.096 2.155 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000180455340 532271571 /nfs/dbraw/zinc/27/15/71/532271571.db2.gz LWLDAAQOLOLSNM-RKDXNWHRSA-N 1 0 384.370 2.487 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180045788 532254657 /nfs/dbraw/zinc/25/46/57/532254657.db2.gz DTFGZZUHCSPPGS-SNVBAGLBSA-N 1 0 390.228 2.266 20 0 GEADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134466610 532256463 /nfs/dbraw/zinc/25/64/63/532256463.db2.gz MQQNWXUZHFUWAB-JTQLQIEISA-N 1 0 379.404 2.021 20 0 GEADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000134527258 532256832 /nfs/dbraw/zinc/25/68/32/532256832.db2.gz ZPOHDTKYTDPILC-UHFFFAOYSA-N 1 0 383.286 2.340 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180097597 532258362 /nfs/dbraw/zinc/25/83/62/532258362.db2.gz BDDUPLZETYCZCO-SNVBAGLBSA-N 1 0 382.349 2.176 20 0 GEADRO C[N@@H+](Cc1ccc(Br)c2cccnc12)C[C@H](O)CN1CCOCC1 ZINC000180184662 532260869 /nfs/dbraw/zinc/26/08/69/532260869.db2.gz YSTWMEIDXGZPOM-HNNXBMFYSA-N 1 0 394.313 2.122 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCCOc2ccc(Br)cc21)c1ccn[nH]1 ZINC000180221911 532261691 /nfs/dbraw/zinc/26/16/91/532261691.db2.gz UACFUCNIEZPGPY-ZDUSSCGKSA-N 1 0 379.258 2.406 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@H]2COc3ccc(Br)cc32)CCOCC1 ZINC000134779847 532262919 /nfs/dbraw/zinc/26/29/19/532262919.db2.gz IPZMWLAMRRHGDN-CQSZACIVSA-N 1 0 383.286 2.152 20 0 GEADRO CC(C)[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1F ZINC000180258401 532264008 /nfs/dbraw/zinc/26/40/08/532264008.db2.gz XSDNODIVFKDREK-INIZCTEOSA-N 1 0 388.896 2.478 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c(Br)n1 ZINC000180351146 532268398 /nfs/dbraw/zinc/26/83/98/532268398.db2.gz KXKWBCLZJYRRAR-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CC1=O ZINC000135606655 532276430 /nfs/dbraw/zinc/27/64/30/532276430.db2.gz QROBIZXCSUJVHY-CYBMUJFWSA-N 1 0 384.307 2.288 20 0 GEADRO COc1cccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1OC(F)F ZINC000180627927 532276873 /nfs/dbraw/zinc/27/68/73/532276873.db2.gz UAYXSXXYOCBYLN-UHFFFAOYSA-N 1 0 378.441 2.152 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(F)c(F)c(F)c1 ZINC000180748824 532279705 /nfs/dbraw/zinc/27/97/05/532279705.db2.gz GLFYMBOWBSIASU-DGCLKSJQSA-N 1 0 380.432 2.243 20 0 GEADRO O[C@@H](C[NH2+]Cc1cncs1)COc1ccc(I)cc1 ZINC000136026150 532282072 /nfs/dbraw/zinc/28/20/72/532282072.db2.gz PPHZFDDOLVRTQC-NSHDSACASA-N 1 0 390.246 2.277 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)NCCC[NH+]1CCC(O)CC1 ZINC000136127742 532282628 /nfs/dbraw/zinc/28/26/28/532282628.db2.gz IPVUNHGUMIXVRY-UHFFFAOYSA-N 1 0 387.293 2.484 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C1CCN(C(N)=O)CC1 ZINC000180829810 532282927 /nfs/dbraw/zinc/28/29/27/532282927.db2.gz NLKIAWAGCKJEJD-UHFFFAOYSA-N 1 0 383.290 2.219 20 0 GEADRO CN(CCN(C)S(=O)(=O)c1cc(F)ccc1Cl)C1CC[NH+](C)CC1 ZINC000181066038 532289662 /nfs/dbraw/zinc/28/96/62/532289662.db2.gz FDHAUCUQOQDXKM-UHFFFAOYSA-N 1 0 377.913 2.126 20 0 GEADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(Br)cc1-n1cncn1)C2 ZINC000137092487 532287978 /nfs/dbraw/zinc/28/79/78/532287978.db2.gz XJSSKVRCMDJUFC-UONOGXRCSA-N 1 0 390.285 2.339 20 0 GEADRO CCOC(=O)C1(NC(=O)Cc2ccccc2Br)CC[NH+](C)CC1 ZINC000135453894 532273966 /nfs/dbraw/zinc/27/39/66/532273966.db2.gz WUBHTLIMPCIXHY-UHFFFAOYSA-N 1 0 383.286 2.135 20 0 GEADRO C[N@H+](CC(=O)NCc1cn2cc(Br)ccc2n1)[C@H]1CCSC1 ZINC000137728685 532291315 /nfs/dbraw/zinc/29/13/15/532291315.db2.gz BPDXMQOWJCGOII-ZDUSSCGKSA-N 1 0 383.315 2.150 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1 ZINC000181122623 532291773 /nfs/dbraw/zinc/29/17/73/532291773.db2.gz AKLIEWKYWNNQIL-CYBMUJFWSA-N 1 0 394.313 2.181 20 0 GEADRO COC(=O)CN1CCC([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000181159595 532292135 /nfs/dbraw/zinc/29/21/35/532292135.db2.gz HPOJNVXFUIJVEG-INIZCTEOSA-N 1 0 396.329 2.255 20 0 GEADRO COCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000141537996 532295247 /nfs/dbraw/zinc/29/52/47/532295247.db2.gz FOMHOGDHXVPJRN-CYBMUJFWSA-N 1 0 385.302 2.443 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000181432271 532298553 /nfs/dbraw/zinc/29/85/53/532298553.db2.gz ZSQWCRGSBRXBDB-UHFFFAOYSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000181452335 532299340 /nfs/dbraw/zinc/29/93/40/532299340.db2.gz UWIFTMAMSBXIAO-ZDUSSCGKSA-N 1 0 397.317 2.411 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000181526796 532300739 /nfs/dbraw/zinc/30/07/39/532300739.db2.gz HJRLIHXCZDZSLK-ONGXEEELSA-N 1 0 383.212 2.177 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150758574 532301395 /nfs/dbraw/zinc/30/13/95/532301395.db2.gz YBNDZQXRSOAQIH-HNNXBMFYSA-N 1 0 382.302 2.088 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000150876062 532303493 /nfs/dbraw/zinc/30/34/93/532303493.db2.gz SQDSMKSMZDCQKH-LBPRGKRZSA-N 1 0 386.411 2.480 20 0 GEADRO COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000181675343 532304254 /nfs/dbraw/zinc/30/42/54/532304254.db2.gz WUFVRVZJSQMNLU-RYUDHWBXSA-N 1 0 376.906 2.289 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1Br ZINC000181675621 532304492 /nfs/dbraw/zinc/30/44/92/532304492.db2.gz YZGZGHGSXYWXHG-NWDGAFQWSA-N 1 0 391.331 2.390 20 0 GEADRO NC(=O)C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000182054291 532308680 /nfs/dbraw/zinc/30/86/80/532308680.db2.gz BTDNFVRSNWRHEH-HOCLYGCPSA-N 1 0 382.302 2.389 20 0 GEADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000181759496 532306139 /nfs/dbraw/zinc/30/61/39/532306139.db2.gz NNHMDGCZIFBJSN-AWEZNQCLSA-N 1 0 386.945 2.491 20 0 GEADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cccc(Br)c1 ZINC000181928175 532307539 /nfs/dbraw/zinc/30/75/39/532307539.db2.gz JXWGPCDIYXDGTK-XHDPSFHLSA-N 1 0 398.301 2.036 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CCC[NH+](C)C)s2)CC1 ZINC000181960361 532308162 /nfs/dbraw/zinc/30/81/62/532308162.db2.gz VAMMCQNDPJWQTB-UHFFFAOYSA-N 1 0 387.571 2.192 20 0 GEADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000183382972 532324786 /nfs/dbraw/zinc/32/47/86/532324786.db2.gz UMWDFPXRMFSVHG-NSHDSACASA-N 1 0 394.269 2.090 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183410538 532324885 /nfs/dbraw/zinc/32/48/85/532324885.db2.gz SAFXJZYIPVTOGB-UHFFFAOYSA-N 1 0 396.285 2.194 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)[N@H+](C)C1CC1 ZINC000183523658 532325576 /nfs/dbraw/zinc/32/55/76/532325576.db2.gz HHJIHWPYMGUYQF-SECBINFHSA-N 1 0 375.803 2.479 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c(Br)c1 ZINC000182066972 532309067 /nfs/dbraw/zinc/30/90/67/532309067.db2.gz KLTPXOPDXRYXTF-VXGBXAGGSA-N 1 0 391.331 2.390 20 0 GEADRO CC(C)(O)C[NH+]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000182123067 532309415 /nfs/dbraw/zinc/30/94/15/532309415.db2.gz WWZZQEIPPFMLID-UHFFFAOYSA-N 1 0 384.311 2.463 20 0 GEADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000182380815 532312328 /nfs/dbraw/zinc/31/23/28/532312328.db2.gz OITQNHICEYZLCD-IAGOWNOFSA-N 1 0 375.579 2.174 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cnc(Br)c(C)c3)C2)CC1 ZINC000182422331 532312942 /nfs/dbraw/zinc/31/29/42/532312942.db2.gz PMDJLNXSZGGTRQ-HNNXBMFYSA-N 1 0 396.333 2.396 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182753463 532317092 /nfs/dbraw/zinc/31/70/92/532317092.db2.gz FVNXKBXSFMYNNS-CQSZACIVSA-N 1 0 397.317 2.472 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000182796281 532317808 /nfs/dbraw/zinc/31/78/08/532317808.db2.gz LNTGCTUFASSNTQ-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cnc1Br ZINC000182820648 532318418 /nfs/dbraw/zinc/31/84/18/532318418.db2.gz KVEYPESIBSEVKW-AAEUAGOBSA-N 1 0 383.290 2.080 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2I)C1 ZINC000182951004 532319437 /nfs/dbraw/zinc/31/94/37/532319437.db2.gz QXSFJWJZMUNUDB-VIFPVBQESA-N 1 0 393.656 2.363 20 0 GEADRO Cc1cc2cc(C(=O)NCCN3CC[NH+](C)CC3)oc2c(Br)c1 ZINC000183003934 532320847 /nfs/dbraw/zinc/32/08/47/532320847.db2.gz PPOLERVUNXIMME-UHFFFAOYSA-N 1 0 380.286 2.481 20 0 GEADRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000183015801 532321250 /nfs/dbraw/zinc/32/12/50/532321250.db2.gz IXDADKMRMRFDRB-BLLLJJGKSA-N 1 0 381.523 2.141 20 0 GEADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1cccc(S(N)(=O)=O)c1 ZINC000183020476 532321305 /nfs/dbraw/zinc/32/13/05/532321305.db2.gz CUMDSHWWMHHUGM-AWEZNQCLSA-N 1 0 382.873 2.062 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1=O ZINC000183199661 532322037 /nfs/dbraw/zinc/32/20/37/532322037.db2.gz BAWOABDXKQKSTM-JTQLQIEISA-N 1 0 375.803 2.290 20 0 GEADRO CC1(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000183327084 532323798 /nfs/dbraw/zinc/32/37/98/532323798.db2.gz PGKVHWAGQDUSJS-OAHLLOKOSA-N 1 0 381.929 2.361 20 0 GEADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)C[C@@H]12 ZINC000185163444 532337099 /nfs/dbraw/zinc/33/70/99/532337099.db2.gz KICZYOSCHXVZJW-DMRZNYOFSA-N 1 0 379.913 2.051 20 0 GEADRO COCCC[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(Br)cc1 ZINC000185201384 532337191 /nfs/dbraw/zinc/33/71/91/532337191.db2.gz XRZRIPLUCRDAPD-CQSZACIVSA-N 1 0 384.274 2.058 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185236498 532337293 /nfs/dbraw/zinc/33/72/93/532337293.db2.gz UMWDWKJXQNNYSE-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000185344497 532337675 /nfs/dbraw/zinc/33/76/75/532337675.db2.gz LUOZWUZJOAGHAC-LBPRGKRZSA-N 1 0 380.341 2.298 20 0 GEADRO CC[NH+](CC)CC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185413034 532337779 /nfs/dbraw/zinc/33/77/79/532337779.db2.gz LTEGETINUOZSIN-OAHLLOKOSA-N 1 0 382.302 2.321 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccccc1Br ZINC000185634682 532338170 /nfs/dbraw/zinc/33/81/70/532338170.db2.gz RWCVDMCRQNDJJD-AWEZNQCLSA-N 1 0 383.334 2.274 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000185930940 532339242 /nfs/dbraw/zinc/33/92/42/532339242.db2.gz DKPAXLNTAQYCIX-ZFWWWQNUSA-N 1 0 398.345 2.295 20 0 GEADRO CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186047852 532339717 /nfs/dbraw/zinc/33/97/17/532339717.db2.gz AQHPIWHZJZOQPC-LBPRGKRZSA-N 1 0 380.794 2.124 20 0 GEADRO C[N@@H+]1CCCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000186290079 532340446 /nfs/dbraw/zinc/34/04/46/532340446.db2.gz ZWNMBMIXFSJWTA-UHFFFAOYSA-N 1 0 377.080 2.384 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000186314464 532340686 /nfs/dbraw/zinc/34/06/86/532340686.db2.gz AOXJPHFTQKHLFT-CQSZACIVSA-N 1 0 382.551 2.387 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000186714149 532341774 /nfs/dbraw/zinc/34/17/74/532341774.db2.gz WPOBWCISDAWZQG-FZMZJTMJSA-N 1 0 387.933 2.145 20 0 GEADRO Cc1nc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1Br ZINC000186779753 532341874 /nfs/dbraw/zinc/34/18/74/532341874.db2.gz CZVDETWMCSISSO-NSHDSACASA-N 1 0 385.306 2.461 20 0 GEADRO COc1c(Br)cccc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000186919073 532342444 /nfs/dbraw/zinc/34/24/44/532342444.db2.gz DNBZARHVEPWGTM-UHFFFAOYSA-N 1 0 398.345 2.348 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000186898525 532342475 /nfs/dbraw/zinc/34/24/75/532342475.db2.gz WTWVCOFJSIVULW-LRDDRELGSA-N 1 0 387.933 2.097 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000186939692 532342633 /nfs/dbraw/zinc/34/26/33/532342633.db2.gz VNIASKVPDMLVBB-LLVKDONJSA-N 1 0 395.301 2.243 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000186962234 532342738 /nfs/dbraw/zinc/34/27/38/532342738.db2.gz ZWMKKKBRYWTXSQ-ZYOFXKKJSA-N 1 0 382.917 2.366 20 0 GEADRO CSCC[C@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1nnc2ccccn21 ZINC000186953003 532342765 /nfs/dbraw/zinc/34/27/65/532342765.db2.gz DHGXCPQZMOADTR-HIFRSBDPSA-N 1 0 382.555 2.326 20 0 GEADRO O=C(NCCc1ccc(F)c(Br)c1)NCC[N@@H+]1CCCOCC1 ZINC000186995130 532342920 /nfs/dbraw/zinc/34/29/20/532342920.db2.gz ZDBUMNLYUPUDFT-UHFFFAOYSA-N 1 0 388.281 2.152 20 0 GEADRO Brc1ccc2[nH]c(CN3CC[NH+](C[C@@H]4CCOC4)CC3)nc2c1 ZINC000187131955 532343314 /nfs/dbraw/zinc/34/33/14/532343314.db2.gz VQRLYZWYJLPABG-ZDUSSCGKSA-N 1 0 379.302 2.480 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183751947 532328748 /nfs/dbraw/zinc/32/87/48/532328748.db2.gz LBHFGTNCLNSNHJ-NSHDSACASA-N 1 0 396.285 2.336 20 0 GEADRO CN(CC[NH2+]Cc1cncc(Br)c1)S(=O)(=O)c1cccs1 ZINC000183748435 532329035 /nfs/dbraw/zinc/32/90/35/532329035.db2.gz HPIFXQZBRCQMIL-UHFFFAOYSA-N 1 0 390.328 2.316 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183835636 532329343 /nfs/dbraw/zinc/32/93/43/532329343.db2.gz VQGOOAZCNYQSCD-QWRGUYRKSA-N 1 0 396.285 2.383 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C[N@@H+]1C1CC1 ZINC000183881098 532329623 /nfs/dbraw/zinc/32/96/23/532329623.db2.gz GXDMJVJHSZHPAQ-VHSXEESVSA-N 1 0 394.269 2.135 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)c1cc(Br)cc(Br)c1 ZINC000183975761 532330568 /nfs/dbraw/zinc/33/05/68/532330568.db2.gz FYGGQHWOLSASCW-UHFFFAOYSA-N 1 0 394.107 2.256 20 0 GEADRO Cn1cc(NC(=O)NCC2(C[NH+](C)C)CCCC2)cc(Br)c1=O ZINC000184084005 532330830 /nfs/dbraw/zinc/33/08/30/532330830.db2.gz IGJMNUUIGKOMFS-UHFFFAOYSA-N 1 0 385.306 2.391 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)COc2ccc(Br)cc2)CC1 ZINC000184197072 532331117 /nfs/dbraw/zinc/33/11/17/532331117.db2.gz SNIOCUIQWHKIKD-UHFFFAOYSA-N 1 0 398.345 2.360 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000184320162 532332044 /nfs/dbraw/zinc/33/20/44/532332044.db2.gz JUSFYJMAPFCJKR-CJNGLKHVSA-N 1 0 396.329 2.067 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1cc(Br)ccc1F ZINC000184367856 532332370 /nfs/dbraw/zinc/33/23/70/532332370.db2.gz MQRAZYDGGMPJJT-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000184339812 532332423 /nfs/dbraw/zinc/33/24/23/532332423.db2.gz RXSRHZKRFWQBGM-OOPCZODUSA-N 1 0 381.933 2.205 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000187806856 532345663 /nfs/dbraw/zinc/34/56/63/532345663.db2.gz KXCIWHGCFJKCRD-UHFFFAOYSA-N 1 0 387.933 2.239 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)NCc2c(F)cc(Br)cc2F)CCO1 ZINC000187866151 532345867 /nfs/dbraw/zinc/34/58/67/532345867.db2.gz NWYYUBVFKKQXFL-LLVKDONJSA-N 1 0 392.244 2.199 20 0 GEADRO C[NH+](C)C[C@H]1CN(C(=O)NCc2c(F)cc(Br)cc2F)CCO1 ZINC000187866179 532345911 /nfs/dbraw/zinc/34/59/11/532345911.db2.gz NWYYUBVFKKQXFL-NSHDSACASA-N 1 0 392.244 2.199 20 0 GEADRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(Cl)c(F)c1Cl ZINC000188035477 532346366 /nfs/dbraw/zinc/34/63/66/532346366.db2.gz WLHJTQWGNSCMMJ-UHFFFAOYSA-N 1 0 385.288 2.115 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccccc1Br ZINC000188034248 532346415 /nfs/dbraw/zinc/34/64/15/532346415.db2.gz WHVOCXFBJORSGM-CYBMUJFWSA-N 1 0 384.318 2.436 20 0 GEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)c[nH]1 ZINC000188131569 532346820 /nfs/dbraw/zinc/34/68/20/532346820.db2.gz BQAMNMNLTCYGAE-SFHVURJKSA-N 1 0 392.297 2.486 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N3CCC[C@@H]([NH3+])C3)CC2=O)ccc1Br ZINC000191350145 532360586 /nfs/dbraw/zinc/36/05/86/532360586.db2.gz NAZKYVXRCDBUNN-CHWSQXEVSA-N 1 0 380.286 2.060 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3N)cn2)CC1 ZINC000188384458 532347896 /nfs/dbraw/zinc/34/78/96/532347896.db2.gz JIATUKHSZDTFNN-UHFFFAOYSA-N 1 0 390.285 2.430 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000188460311 532348317 /nfs/dbraw/zinc/34/83/17/532348317.db2.gz VXKDEPCUCXNRMC-HNNXBMFYSA-N 1 0 391.269 2.032 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc(Br)n3)C2)CC1 ZINC000188585131 532348600 /nfs/dbraw/zinc/34/86/00/532348600.db2.gz NVJHECGOWHHSCO-ZDUSSCGKSA-N 1 0 382.306 2.088 20 0 GEADRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188761719 532349489 /nfs/dbraw/zinc/34/94/89/532349489.db2.gz ZKPIRCGJHYDEHI-QKVFXAPYSA-N 1 0 375.332 2.142 20 0 GEADRO CC(C)(O)C[NH+]1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000188940153 532350376 /nfs/dbraw/zinc/35/03/76/532350376.db2.gz KCILIBLCBHKXKJ-UHFFFAOYSA-N 1 0 375.282 2.356 20 0 GEADRO Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1Br ZINC000189219922 532351429 /nfs/dbraw/zinc/35/14/29/532351429.db2.gz MQFMDUSEMQLFTC-CYBMUJFWSA-N 1 0 382.302 2.415 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000189275012 532351640 /nfs/dbraw/zinc/35/16/40/532351640.db2.gz ZAZLYRHXTLPOBE-UHFFFAOYSA-N 1 0 384.318 2.369 20 0 GEADRO O=C(CCCOc1ccccc1Br)NCC[N@@H+]1CCCOCC1 ZINC000189359215 532351984 /nfs/dbraw/zinc/35/19/84/532351984.db2.gz YXTSYEUYVLNENK-UHFFFAOYSA-N 1 0 385.302 2.447 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189567012 532352759 /nfs/dbraw/zinc/35/27/59/532352759.db2.gz HWPSPPXAPPHHJS-UONOGXRCSA-N 1 0 384.318 2.083 20 0 GEADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)CCc3cccs3)CC2)C[C@H](C)O1 ZINC000189578634 532352897 /nfs/dbraw/zinc/35/28/97/532352897.db2.gz FHZPUYNSBGNYKF-IYBDPMFKSA-N 1 0 386.583 2.442 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189802952 532353740 /nfs/dbraw/zinc/35/37/40/532353740.db2.gz POVMRMVFUNOQIU-UHFFFAOYSA-N 1 0 386.677 2.348 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000189812732 532353843 /nfs/dbraw/zinc/35/38/43/532353843.db2.gz IHWXTERCABIBGB-UHFFFAOYSA-N 1 0 386.290 2.196 20 0 GEADRO C[C@H]1CN(Cc2cc3c(c(Br)c2)OCO3)CC[N@@H+]1CC(C)(C)O ZINC000189935021 532354053 /nfs/dbraw/zinc/35/40/53/532354053.db2.gz QYQQAMHVKXJXLM-LBPRGKRZSA-N 1 0 385.302 2.455 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000190073931 532354664 /nfs/dbraw/zinc/35/46/64/532354664.db2.gz XGKOHTILMNXIEJ-ZYHUDNBSSA-N 1 0 384.249 2.222 20 0 GEADRO C[C@@H](CNC(=O)C1(c2ccccc2Br)CC1)C[NH+]1CCN(C)CC1 ZINC000190381486 532355907 /nfs/dbraw/zinc/35/59/07/532355907.db2.gz RSGFANZRBCJBDX-HNNXBMFYSA-N 1 0 394.357 2.480 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+][C@H](C)c2ccc(Br)cc2OC)nn1 ZINC000190443506 532356171 /nfs/dbraw/zinc/35/61/71/532356171.db2.gz WFRMNNOSYDLXLB-LLVKDONJSA-N 1 0 397.273 2.116 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000190642454 532357269 /nfs/dbraw/zinc/35/72/69/532357269.db2.gz LONCKKCVUKWSPB-HIFRSBDPSA-N 1 0 390.933 2.468 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000190669217 532357334 /nfs/dbraw/zinc/35/73/34/532357334.db2.gz CYHFXIZTJJTWSM-NSHDSACASA-N 1 0 378.441 2.229 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000190655556 532357345 /nfs/dbraw/zinc/35/73/45/532357345.db2.gz FONFNLRPYZMEPZ-UHFFFAOYSA-N 1 0 385.306 2.363 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000190690406 532357453 /nfs/dbraw/zinc/35/74/53/532357453.db2.gz RZYLTYZRNCGZNT-LLVKDONJSA-N 1 0 391.331 2.390 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)C1 ZINC000190693138 532357467 /nfs/dbraw/zinc/35/74/67/532357467.db2.gz XAHWGDRFUNRDNO-LLVKDONJSA-N 1 0 376.906 2.289 20 0 GEADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000190691238 532357499 /nfs/dbraw/zinc/35/74/99/532357499.db2.gz BHOPDGOEIBMIQX-UHFFFAOYSA-N 1 0 395.345 2.441 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc(OC)cc2Br)C1 ZINC000190687929 532357528 /nfs/dbraw/zinc/35/75/28/532357528.db2.gz PHKHTTVAUOMGMT-LLVKDONJSA-N 1 0 391.331 2.390 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000190875294 532358539 /nfs/dbraw/zinc/35/85/39/532358539.db2.gz RXBDNXJAEIDOAX-SECBINFHSA-N 1 0 390.228 2.218 20 0 GEADRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)C1CCS(=O)(=O)CC1 ZINC000187375065 532344147 /nfs/dbraw/zinc/34/41/47/532344147.db2.gz NMCFULRFSJXBAG-NHYWBVRUSA-N 1 0 376.316 2.285 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccccc1I ZINC000187413969 532344343 /nfs/dbraw/zinc/34/43/43/532344343.db2.gz WUIQEQVEBIKQTP-UHFFFAOYSA-N 1 0 389.237 2.135 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187416091 532344431 /nfs/dbraw/zinc/34/44/31/532344431.db2.gz AWBPMVWYHQMYDG-XHBKTUGNSA-N 1 0 384.929 2.415 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1coc(C[NH3+])c1 ZINC000187737132 532345283 /nfs/dbraw/zinc/34/52/83/532345283.db2.gz BYJMVSVHMHNORV-UHFFFAOYSA-N 1 0 394.269 2.279 20 0 GEADRO CC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)s1)C(=O)NCc1cccs1 ZINC000647242141 532372591 /nfs/dbraw/zinc/37/25/91/532372591.db2.gz IPALDFIBXNTBGZ-OAHLLOKOSA-N 1 0 380.539 2.226 20 0 GEADRO O=C(Nc1nc2c(cccc2Br)s1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000557774905 532372600 /nfs/dbraw/zinc/37/26/00/532372600.db2.gz UAUASOYVASVODL-NSHDSACASA-N 1 0 381.299 2.387 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(F)cc1Br ZINC000647264498 532372917 /nfs/dbraw/zinc/37/29/17/532372917.db2.gz DWAQCMDVUWSCEI-GWCFXTLKSA-N 1 0 377.279 2.269 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)COc1c(Cl)cccc1Cl ZINC000278211247 532373115 /nfs/dbraw/zinc/37/31/15/532373115.db2.gz IKHXFTFAQYTMTM-LBPRGKRZSA-N 1 0 388.295 2.218 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(F)cc1Br ZINC000647264501 532373258 /nfs/dbraw/zinc/37/32/58/532373258.db2.gz DWAQCMDVUWSCEI-ZWNOBZJWSA-N 1 0 377.279 2.269 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000515803460 532373291 /nfs/dbraw/zinc/37/32/91/532373291.db2.gz GVIKKHFBJPUOAY-LBPRGKRZSA-N 1 0 385.255 2.074 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1Cl ZINC000647265847 532373434 /nfs/dbraw/zinc/37/34/34/532373434.db2.gz HQATZIUJXUORQX-CYBMUJFWSA-N 1 0 383.297 2.034 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647264211 532373691 /nfs/dbraw/zinc/37/36/91/532373691.db2.gz UCOHLHSEZILZAL-GXSJLCMTSA-N 1 0 379.707 2.475 20 0 GEADRO C[N@H+](CCc1cccc(Br)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000463426844 532373663 /nfs/dbraw/zinc/37/36/63/532373663.db2.gz RLUFVAFNPWVMPZ-CQSZACIVSA-N 1 0 375.332 2.205 20 0 GEADRO COc1ccc(CCC(=O)NC[C@](C)(O)CC[NH+](C)C)c(Br)c1 ZINC000621959800 532373777 /nfs/dbraw/zinc/37/37/77/532373777.db2.gz FKMOFHQEUZJJDW-QGZVFWFLSA-N 1 0 387.318 2.209 20 0 GEADRO C[N@H+](CCNS(=O)(=O)c1cc(Br)cc2cccnc21)C1CC1 ZINC000557802433 532373996 /nfs/dbraw/zinc/37/39/96/532373996.db2.gz CMFZWFGSTZFNFU-UHFFFAOYSA-N 1 0 384.299 2.370 20 0 GEADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000191918602 532374183 /nfs/dbraw/zinc/37/41/83/532374183.db2.gz TXTPIKLXCJPGLY-WDEREUQCSA-N 1 0 379.201 2.044 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000463457892 532374284 /nfs/dbraw/zinc/37/42/84/532374284.db2.gz WXQLTRIZTJFTOO-CABCVRRESA-N 1 0 384.249 2.471 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425218075 532374733 /nfs/dbraw/zinc/37/47/33/532374733.db2.gz XCGYTVSPRXMDEZ-XHDPSFHLSA-N 1 0 378.416 2.429 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000516035729 532376065 /nfs/dbraw/zinc/37/60/65/532376065.db2.gz QJFUYUIVGJTAEP-UHFFFAOYSA-N 1 0 381.464 2.209 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1-n1cncn1)C1CC[NH+](C)CC1 ZINC000677552488 532376804 /nfs/dbraw/zinc/37/68/04/532376804.db2.gz VCHKFEMFUZNOHA-GFCCVEGCSA-N 1 0 392.301 2.490 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)NCC1(S(C)(=O)=O)CCCC1)CC(C)C ZINC000557879407 532377020 /nfs/dbraw/zinc/37/70/20/532377020.db2.gz VHANNPWASNSNCX-INIZCTEOSA-N 1 0 375.579 2.400 20 0 GEADRO Cc1ccc(S(=O)(=O)NCCNCc2nccn2-c2ccccc2)s1 ZINC000191448909 532361054 /nfs/dbraw/zinc/36/10/54/532361054.db2.gz BTGKSVDKLSCHPU-UHFFFAOYSA-N 1 0 376.507 2.310 20 0 GEADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)Cn2cc(Br)cn2)n1 ZINC000191559737 532361357 /nfs/dbraw/zinc/36/13/57/532361357.db2.gz OPEIJADHLCYFEE-SNVBAGLBSA-N 1 0 387.303 2.500 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192033483 532378351 /nfs/dbraw/zinc/37/83/51/532378351.db2.gz ZRRNHKKSXQHNNV-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO CC1([NH3+])CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000646993083 532363785 /nfs/dbraw/zinc/36/37/85/532363785.db2.gz GUXAJUYRQISSMF-GFCCVEGCSA-N 1 0 380.286 2.142 20 0 GEADRO CC[C@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000647010652 532363915 /nfs/dbraw/zinc/36/39/15/532363915.db2.gz UUZUGMWKBZVQBU-WDEREUQCSA-N 1 0 388.331 2.168 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000621695386 532364644 /nfs/dbraw/zinc/36/46/44/532364644.db2.gz UCRZJZDWRGIAPK-DWQUBVKVSA-N 1 0 392.297 2.142 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590012861 532366142 /nfs/dbraw/zinc/36/61/42/532366142.db2.gz ZXXJCIYWDJZEBP-DOMZBBRYSA-N 1 0 399.276 2.174 20 0 GEADRO CC[NH+]1CCN(Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)CC1 ZINC000294551794 532366181 /nfs/dbraw/zinc/36/61/81/532366181.db2.gz KRFMVMWFCJCNPN-ZDUSSCGKSA-N 1 0 384.318 2.100 20 0 GEADRO CS(=O)(=O)Cc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1 ZINC000647085850 532366246 /nfs/dbraw/zinc/36/62/46/532366246.db2.gz AXFPPGBEOPJYIZ-UHFFFAOYSA-N 1 0 379.507 2.407 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C2 ZINC000621699651 532366448 /nfs/dbraw/zinc/36/64/48/532366448.db2.gz ACQQHYNKGOFOMW-UTXMOHQDSA-N 1 0 380.286 2.262 20 0 GEADRO C[C@H](CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)n1cc(Br)cn1 ZINC000647088308 532366552 /nfs/dbraw/zinc/36/65/52/532366552.db2.gz XBWASSYMNKWQQY-SRCQZFHVSA-N 1 0 399.333 2.342 20 0 GEADRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086477 532367089 /nfs/dbraw/zinc/36/70/89/532367089.db2.gz QFTRPRRVQGAYOF-AWEZNQCLSA-N 1 0 381.885 2.402 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000425172775 532367422 /nfs/dbraw/zinc/36/74/22/532367422.db2.gz ZXOMCGGALWPOBX-FGTMMUONSA-N 1 0 386.945 2.396 20 0 GEADRO CC[N@@H+]1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@H]1C ZINC000677193025 532367640 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CCCN(CC[NH+]1CCCC1)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000557575328 532370206 /nfs/dbraw/zinc/37/02/06/532370206.db2.gz OVTIHVOYVLKXAP-UHFFFAOYSA-N 1 0 386.290 2.106 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc([C@H]4CCC[NH2+]4)no3)C2)s1 ZINC000647154037 532370494 /nfs/dbraw/zinc/37/04/94/532370494.db2.gz RUPGUXZTXOWXNF-QWHCGFSZSA-N 1 0 382.511 2.432 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000192028395 532379709 /nfs/dbraw/zinc/37/97/09/532379709.db2.gz UNOBYAORPODFQC-ZDUSSCGKSA-N 1 0 377.304 2.254 20 0 GEADRO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1 ZINC000647711744 532380648 /nfs/dbraw/zinc/38/06/48/532380648.db2.gz CUTGTZJFOBAXSG-OAHLLOKOSA-N 1 0 385.302 2.423 20 0 GEADRO CC(C)(C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)c1cccc(Br)c1 ZINC000647707624 532380729 /nfs/dbraw/zinc/38/07/29/532380729.db2.gz AURBWDZLHSPYTD-HOTGVXAUSA-N 1 0 381.314 2.394 20 0 GEADRO OC1CCN(CC[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000294757922 532381635 /nfs/dbraw/zinc/38/16/35/532381635.db2.gz DRZBHVQXLULHAP-UHFFFAOYSA-N 1 0 396.219 2.116 20 0 GEADRO C[N@H+](CC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCSC1 ZINC000558035892 532381907 /nfs/dbraw/zinc/38/19/07/532381907.db2.gz MWYNEMNSEMREEY-RISCZKNCSA-N 1 0 391.306 2.175 20 0 GEADRO O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000372295847 532382057 /nfs/dbraw/zinc/38/20/57/532382057.db2.gz PSUKLAQEHXOOQI-AWEZNQCLSA-N 1 0 376.473 2.177 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1OCC ZINC000294777416 532382189 /nfs/dbraw/zinc/38/21/89/532382189.db2.gz KUJBLSDMQXCSFL-KRWDZBQOSA-N 1 0 391.917 2.167 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000463805378 532383022 /nfs/dbraw/zinc/38/30/22/532383022.db2.gz MEXBHXLNAZPDNN-UHFFFAOYSA-N 1 0 386.237 2.238 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C[C@@H]1C ZINC000463798731 532383417 /nfs/dbraw/zinc/38/34/17/532383417.db2.gz UUNCNTIBVMSWCS-VHSXEESVSA-N 1 0 378.420 2.432 20 0 GEADRO Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c(Br)n1 ZINC000372303892 532383485 /nfs/dbraw/zinc/38/34/85/532383485.db2.gz ABUGQHLWHNTBFD-HIFRSBDPSA-N 1 0 382.302 2.383 20 0 GEADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192076451 532384003 /nfs/dbraw/zinc/38/40/03/532384003.db2.gz XXHLLCKVQKNBGI-ZNMIVQPWSA-N 1 0 380.286 2.188 20 0 GEADRO Cc1ccc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)n1 ZINC000372305117 532384287 /nfs/dbraw/zinc/38/42/87/532384287.db2.gz MJSQAVCCNRMAGR-HNNXBMFYSA-N 1 0 395.345 2.393 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccnc2OCC(F)F)C1 ZINC000647900838 532384457 /nfs/dbraw/zinc/38/44/57/532384457.db2.gz VOACPXRSEBPDEL-ZDUSSCGKSA-N 1 0 377.457 2.078 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000425413179 532384491 /nfs/dbraw/zinc/38/44/91/532384491.db2.gz BBFREPNEUSAWFO-YOEHRIQHSA-N 1 0 383.583 2.447 20 0 GEADRO CO[C@@H]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C[NH3+])C1 ZINC000516275122 532384786 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CCc1ccc(S(=O)(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000372864539 532416309 /nfs/dbraw/zinc/41/63/09/532416309.db2.gz WYIBDPIWEOHSFH-UHFFFAOYSA-N 1 0 385.599 2.490 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000625229416 532416619 /nfs/dbraw/zinc/41/66/19/532416619.db2.gz YDGIOCNUZYABKY-MFKMUULPSA-N 1 0 377.279 2.221 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2)c1ccc(Br)cc1 ZINC000372920364 532418443 /nfs/dbraw/zinc/41/84/43/532418443.db2.gz AJMHDTHSZRJMIZ-YVSFHVDLSA-N 1 0 394.313 2.497 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000625238822 532417831 /nfs/dbraw/zinc/41/78/31/532417831.db2.gz AYODXGGSWHFAJV-MFKMUULPSA-N 1 0 377.279 2.221 20 0 GEADRO OCCCN1CCC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000295196783 532418266 /nfs/dbraw/zinc/41/82/66/532418266.db2.gz YBLKHWHKKGYQCB-CQSZACIVSA-N 1 0 385.302 2.157 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)C1 ZINC000465953557 532420835 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C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000372934674 532420456 /nfs/dbraw/zinc/42/04/56/532420456.db2.gz NRKLTLNVYYGBPF-JTQLQIEISA-N 1 0 377.229 2.256 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625369883 532421137 /nfs/dbraw/zinc/42/11/37/532421137.db2.gz CNIVJQHGVBWDCX-UKRRQHHQSA-N 1 0 380.432 2.182 20 0 GEADRO C[C@H](NCC1([NH+](C)C)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281143887 532420568 /nfs/dbraw/zinc/42/05/68/532420568.db2.gz ONGZWEULOSGCBO-NSHDSACASA-N 1 0 390.347 2.231 20 0 GEADRO COCCO[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625358231 532420584 /nfs/dbraw/zinc/42/05/84/532420584.db2.gz LJJBRCMUYVXCQP-ZBFHGGJFSA-N 1 0 383.286 2.440 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000193367720 532422773 /nfs/dbraw/zinc/42/27/73/532422773.db2.gz FNKOOXPLHODXSL-CYBMUJFWSA-N 1 0 395.301 2.117 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000193348056 532421242 /nfs/dbraw/zinc/42/12/42/532421242.db2.gz KZYTUKXDAYCFLS-SCDSUCTJSA-N 1 0 388.942 2.158 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)C[NH+](C)C ZINC000560707812 532421776 /nfs/dbraw/zinc/42/17/76/532421776.db2.gz YEGYSKHTGIISTA-XJKSGUPXSA-N 1 0 396.329 2.368 20 0 GEADRO C[C@@]1(CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)CCC[NH2+]C1 ZINC000517719444 532424005 /nfs/dbraw/zinc/42/40/05/532424005.db2.gz SAUKWZFBWKGRRL-QGZVFWFLSA-N 1 0 398.301 2.409 20 0 GEADRO CC[N@H+](CCNC(=O)CSc1nnc2ccccn21)CCC(F)(F)F ZINC000427442289 532425080 /nfs/dbraw/zinc/42/50/80/532425080.db2.gz OWBSMFUMIDVNGG-UHFFFAOYSA-N 1 0 375.420 2.212 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)C1(S(C)(=O)=O)CC1 ZINC000517733994 532425507 /nfs/dbraw/zinc/42/55/07/532425507.db2.gz OHRVCUOCFYOOSK-NEPJUHHUSA-N 1 0 381.416 2.000 20 0 GEADRO C[C@@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000295244640 532425964 /nfs/dbraw/zinc/42/59/64/532425964.db2.gz DIYAEGDHUHHCSF-ZDUSSCGKSA-N 1 0 394.313 2.122 20 0 GEADRO C[NH+](C)CCOc1cc(C(=O)N2CCSC[C@H]2c2nccs2)ccn1 ZINC000681206044 532423772 /nfs/dbraw/zinc/42/37/72/532423772.db2.gz RVLPIEFAXNCLSW-AWEZNQCLSA-N 1 0 378.523 2.409 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000625419472 532426393 /nfs/dbraw/zinc/42/63/93/532426393.db2.gz IVFRVMLVANYBJJ-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000625420931 532426422 /nfs/dbraw/zinc/42/64/22/532426422.db2.gz JNOBPDFRHVMKTI-GFCCVEGCSA-N 1 0 381.420 2.033 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000625425793 532427885 /nfs/dbraw/zinc/42/78/85/532427885.db2.gz RNHYHYMYVPLJIC-CYBMUJFWSA-N 1 0 387.933 2.018 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000561057493 532428397 /nfs/dbraw/zinc/42/83/97/532428397.db2.gz IQUZJSRIJJTAKR-CYBMUJFWSA-N 1 0 384.318 2.474 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000373052557 532428649 /nfs/dbraw/zinc/42/86/49/532428649.db2.gz CFOSPTLZNPWQJN-BXUZGUMPSA-N 1 0 389.315 2.220 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193656805 532429090 /nfs/dbraw/zinc/42/90/90/532429090.db2.gz OLGLZHWYILZMQN-UPJWGTAASA-N 1 0 399.276 2.112 20 0 GEADRO O=C1O[C@@H](C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC12CC2 ZINC000373032857 532427036 /nfs/dbraw/zinc/42/70/36/532427036.db2.gz UTSWYKNKEPYFND-SNVBAGLBSA-N 1 0 376.404 2.165 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c(Br)c1 ZINC000625423996 532427650 /nfs/dbraw/zinc/42/76/50/532427650.db2.gz HTVWHJTXMFOSBQ-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281635881 532429368 /nfs/dbraw/zinc/42/93/68/532429368.db2.gz GSNGMQQKKUCDQG-UHFFFAOYSA-N 1 0 380.247 2.108 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000591939158 532429500 /nfs/dbraw/zinc/42/95/00/532429500.db2.gz MUQGJBKIZWRETA-HNNXBMFYSA-N 1 0 375.460 2.430 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)N(C)C[C@H](O)CC2(O)CCC2)c1 ZINC000625456987 532430032 /nfs/dbraw/zinc/43/00/32/532430032.db2.gz HOLIMOVRFHWTAE-MLGOLLRUSA-N 1 0 388.302 2.089 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1cccc(Br)c1 ZINC000373074010 532430122 /nfs/dbraw/zinc/43/01/22/532430122.db2.gz ISRGYPOYQRZBQJ-YESZJQIVSA-N 1 0 396.329 2.209 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517894642 532430489 /nfs/dbraw/zinc/43/04/89/532430489.db2.gz FTSHOQAQFZVHMV-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696027 532430530 /nfs/dbraw/zinc/43/05/30/532430530.db2.gz OKFXMRMZGNQDBR-VXGBXAGGSA-N 1 0 387.297 2.221 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000517910236 532430993 /nfs/dbraw/zinc/43/09/93/532430993.db2.gz BQKFYOOHWYVPKJ-DOMZBBRYSA-N 1 0 376.931 2.132 20 0 GEADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000591953017 532431072 /nfs/dbraw/zinc/43/10/72/532431072.db2.gz OQIIWLLBGQRNLH-PXAZEXFGSA-N 1 0 383.286 2.425 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000561203333 532431985 /nfs/dbraw/zinc/43/19/85/532431985.db2.gz VRGZFYQXQKTFDJ-ZFWWWQNUSA-N 1 0 381.318 2.327 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Br)cc(F)c2F)C1 ZINC000626166047 532435569 /nfs/dbraw/zinc/43/55/69/532435569.db2.gz LRFCLFNPGNCVBM-SNVBAGLBSA-N 1 0 397.285 2.489 20 0 GEADRO COc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000295330708 532435667 /nfs/dbraw/zinc/43/56/67/532435667.db2.gz MTQQUXWFDYXENL-UHFFFAOYSA-N 1 0 389.315 2.363 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(Br)cnn2C)[C@@H](C)C1 ZINC000295330914 532435789 /nfs/dbraw/zinc/43/57/89/532435789.db2.gz UBKQLBXPWPDKDN-JSGCOSHPSA-N 1 0 387.322 2.049 20 0 GEADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCC=C(Br)C1 ZINC000281818098 532435812 /nfs/dbraw/zinc/43/58/12/532435812.db2.gz DLJQCBDNOSJRLX-UHFFFAOYSA-N 1 0 380.286 2.240 20 0 GEADRO O=C(CNC(=O)C[N@@H+]1CC[C@H]2CCC[C@H]21)Nc1ccccc1Br ZINC000681712543 532435968 /nfs/dbraw/zinc/43/59/68/532435968.db2.gz ZUSPBAOFQKQBPB-IUODEOHRSA-N 1 0 380.286 2.378 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000373171876 532436999 /nfs/dbraw/zinc/43/69/99/532436999.db2.gz CYCGYSQNCRBHHK-OWUUHHOZSA-N 1 0 380.695 2.140 20 0 GEADRO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000281791946 532432424 /nfs/dbraw/zinc/43/24/24/532432424.db2.gz UOZIXMCEMHLKLJ-SOUVJXGZSA-N 1 0 384.567 2.483 20 0 GEADRO COC(=O)[C@@H]1C[C@H](O)CN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000591999521 532432453 /nfs/dbraw/zinc/43/24/53/532432453.db2.gz KKJSBOBXHNEXMG-MNOVXSKESA-N 1 0 395.253 2.366 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)c2c(F)ccc(Br)c2F)CC1(C)C ZINC000281837782 532437186 /nfs/dbraw/zinc/43/71/86/532437186.db2.gz SPIJRKCEGXSSDC-UHFFFAOYSA-N 1 0 390.272 2.483 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CC(=O)NCC1CC1 ZINC000427821651 532433495 /nfs/dbraw/zinc/43/34/95/532433495.db2.gz XJXJBNNRHOULKM-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO O=C(Cc1c[nH]c2cccc(Br)c12)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295319921 532433632 /nfs/dbraw/zinc/43/36/32/532433632.db2.gz CLHPBCVVDPJBAK-CQSZACIVSA-N 1 0 394.313 2.436 20 0 GEADRO O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000518026665 532434475 /nfs/dbraw/zinc/43/44/75/532434475.db2.gz MIMSPJQINKKRAS-ZDUSSCGKSA-N 1 0 381.267 2.107 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000681621343 532434536 /nfs/dbraw/zinc/43/45/36/532434536.db2.gz CBYHPIVNSLEILW-CQSZACIVSA-N 1 0 380.286 2.297 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000427866292 532434928 /nfs/dbraw/zinc/43/49/28/532434928.db2.gz KUOFFZZEJASBER-ZLKJLUDKSA-N 1 0 377.254 2.454 20 0 GEADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2cccc(Br)c2)n1 ZINC000626145762 532435107 /nfs/dbraw/zinc/43/51/07/532435107.db2.gz FLEVZDLNLTZIKZ-AEGPPILISA-N 1 0 398.257 2.000 20 0 GEADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000427932852 532437568 /nfs/dbraw/zinc/43/75/68/532437568.db2.gz HFTAFGYVCYKHDN-SNVBAGLBSA-N 1 0 393.303 2.016 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1Br ZINC000427949989 532437790 /nfs/dbraw/zinc/43/77/90/532437790.db2.gz ZSEWTRMCAJVGIX-SNVBAGLBSA-N 1 0 392.319 2.203 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000561427617 532437869 /nfs/dbraw/zinc/43/78/69/532437869.db2.gz YPKPCIUDTCLLQX-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1F ZINC000427936436 532438065 /nfs/dbraw/zinc/43/80/65/532438065.db2.gz CTNRBCNKWYWOBD-WDEREUQCSA-N 1 0 382.379 2.391 20 0 GEADRO C[N@H+](CCCNC(=O)NCCn1cc(Br)cn1)Cc1ccccc1 ZINC000561423844 532438159 /nfs/dbraw/zinc/43/81/59/532438159.db2.gz WERRLFDXVKHZSW-UHFFFAOYSA-N 1 0 394.317 2.467 20 0 GEADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)c(Cl)cc1Cl ZINC000427948206 532438330 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C[C@H](CCCC[NH3+])NC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626836731 532442548 /nfs/dbraw/zinc/44/25/48/532442548.db2.gz AKZLIKDRGMNYPV-GFCCVEGCSA-N 1 0 394.313 2.461 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295385897 532442912 /nfs/dbraw/zinc/44/29/12/532442912.db2.gz HFIDWFCMSBCHKY-ZFWWWQNUSA-N 1 0 385.302 2.179 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ncc1Br ZINC000194269111 532445658 /nfs/dbraw/zinc/44/56/58/532445658.db2.gz BABSHUBPJRBCGG-JSGCOSHPSA-N 1 0 395.301 2.034 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1Br ZINC000626847253 532443079 /nfs/dbraw/zinc/44/30/79/532443079.db2.gz OEYYJGTYFIMXOS-AWEZNQCLSA-N 1 0 398.301 2.243 20 0 GEADRO CNC(=O)NC(=O)CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467297956 532443269 /nfs/dbraw/zinc/44/32/69/532443269.db2.gz AWOLTZVGIKULSD-UHFFFAOYSA-N 1 0 398.301 2.276 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000518554435 532443430 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COC(=O)CC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000592277497 532445261 /nfs/dbraw/zinc/44/52/61/532445261.db2.gz ZUPNZBFOQBOBEZ-GFCCVEGCSA-N 1 0 377.666 2.341 20 0 GEADRO O=C(COc1cccc(I)c1)NCC[NH+]1CCCCC1 ZINC000194267717 532445452 /nfs/dbraw/zinc/44/54/52/532445452.db2.gz LPSTXSFRBFQDOF-UHFFFAOYSA-N 1 0 388.249 2.272 20 0 GEADRO COC(=O)c1ccc(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000295385628 532441574 /nfs/dbraw/zinc/44/15/74/532441574.db2.gz ULCQLRFVOPPQEJ-CQSZACIVSA-N 1 0 388.917 2.230 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000626835908 532441751 /nfs/dbraw/zinc/44/17/51/532441751.db2.gz LIMHICWUMKIPML-QWHCGFSZSA-N 1 0 392.297 2.213 20 0 GEADRO C[NH2+]CCOCCNC(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000626944875 532446469 /nfs/dbraw/zinc/44/64/69/532446469.db2.gz DDJGXFYRYJQQLA-UHFFFAOYSA-N 1 0 384.318 2.406 20 0 GEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000467421570 532446997 /nfs/dbraw/zinc/44/69/97/532446997.db2.gz VXIZGSRSDLFPFR-AWEZNQCLSA-N 1 0 389.949 2.245 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc(Br)c1OC ZINC000626959260 532447001 /nfs/dbraw/zinc/44/70/01/532447001.db2.gz ANNYVEGONKVRRV-CMPLNLGQSA-N 1 0 386.290 2.406 20 0 GEADRO C[C@@H](C(=O)N[C@H]1CSc2ccc(Br)cc21)N1CCN(C)CC1 ZINC000428209394 532447196 /nfs/dbraw/zinc/44/71/96/532447196.db2.gz POYMGOWPHHWESR-FZMZJTMJSA-N 1 0 384.343 2.348 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CSc2ccccc2Cl)CC1 ZINC000518814661 532447469 /nfs/dbraw/zinc/44/74/69/532447469.db2.gz DGHVOJAHSZZUIX-UHFFFAOYSA-N 1 0 383.945 2.491 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CSCc2ccc(Br)cc2F)CCO1 ZINC000592309939 532447599 /nfs/dbraw/zinc/44/75/99/532447599.db2.gz UKNKYJTXOUPWKA-QMTHXVAHSA-N 1 0 391.306 2.396 20 0 GEADRO CN(CCOCC[NH3+])C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000626962120 532447679 /nfs/dbraw/zinc/44/76/79/532447679.db2.gz PBSDSGHXFYIVJH-UHFFFAOYSA-N 1 0 396.232 2.167 20 0 GEADRO O=C(CCc1cccc(F)c1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269051 532448272 /nfs/dbraw/zinc/44/82/72/532448272.db2.gz LYZPWYCQDBGKCC-ZIAGYGMSSA-N 1 0 385.277 2.188 20 0 GEADRO Cn1cc(-c2ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c3cccs3)s2)cn1 ZINC000282213155 532448567 /nfs/dbraw/zinc/44/85/67/532448567.db2.gz JKFBMGFHBXWFGV-CYBMUJFWSA-N 1 0 397.547 2.135 20 0 GEADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000627268045 532448562 /nfs/dbraw/zinc/44/85/62/532448562.db2.gz WQMSFHDDBTVKRL-CVEARBPZSA-N 1 0 397.288 2.287 20 0 GEADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000428188507 532446347 /nfs/dbraw/zinc/44/63/47/532446347.db2.gz XKLCDFKURKTLEQ-ZIAGYGMSSA-N 1 0 382.327 2.102 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000592365496 532452270 /nfs/dbraw/zinc/45/22/70/532452270.db2.gz VDTDKRKIMRGFFI-UHFFFAOYSA-N 1 0 386.901 2.422 20 0 GEADRO O=C(Cc1c(Cl)cccc1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627270647 532449355 /nfs/dbraw/zinc/44/93/55/532449355.db2.gz KOBVROBGAJPQLK-RYUDHWBXSA-N 1 0 387.705 2.313 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C1(c2cccc(Br)c2)CC1 ZINC000650596776 532449395 /nfs/dbraw/zinc/44/93/95/532449395.db2.gz DBJKHNOGTZHBMH-INIZCTEOSA-N 1 0 381.314 2.444 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(F)cc1Br ZINC000467503787 532449484 /nfs/dbraw/zinc/44/94/84/532449484.db2.gz IUQLGEFSZNPKMF-TVQRCGJNSA-N 1 0 377.279 2.349 20 0 GEADRO O=C(c1cc(Cl)sc1Cl)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428636392 532456701 /nfs/dbraw/zinc/45/67/01/532456701.db2.gz JXXLMHFJAPKJNU-JTQLQIEISA-N 1 0 376.309 2.339 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000428637610 532456930 /nfs/dbraw/zinc/45/69/30/532456930.db2.gz NOFKNYGKOXDWDE-CJNGLKHVSA-N 1 0 396.329 2.319 20 0 GEADRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1nc(C(F)(F)F)no1 ZINC000627822009 532457549 /nfs/dbraw/zinc/45/75/49/532457549.db2.gz GHZMOQQAPPUVNQ-MWLCHTKSSA-N 1 0 378.420 2.483 20 0 GEADRO COc1cc(I)c(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000592568545 532454545 /nfs/dbraw/zinc/45/45/45/532454545.db2.gz WPYCUPFCAAMQQI-DTWKUNHWSA-N 1 0 392.237 2.164 20 0 GEADRO [NH3+]C[C@H](NS(=O)(=O)c1cccc(I)c1)C1CCCC1 ZINC000194770133 532455200 /nfs/dbraw/zinc/45/52/00/532455200.db2.gz QYQGPBBMYYITKJ-ZDUSSCGKSA-N 1 0 394.278 2.087 20 0 GEADRO [NH3+]C[C@@H](NS(=O)(=O)c1cccc(I)c1)C1CCCC1 ZINC000194770148 532455428 /nfs/dbraw/zinc/45/54/28/532455428.db2.gz QYQGPBBMYYITKJ-CYBMUJFWSA-N 1 0 394.278 2.087 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@H](CC[NH3+])c3ccccc32)s1 ZINC000373517909 532456015 /nfs/dbraw/zinc/45/60/15/532456015.db2.gz DZFMPECRGUNQMC-ZDUSSCGKSA-N 1 0 379.507 2.026 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)c1csc(CC[NH3+])n1 ZINC000194794627 532457671 /nfs/dbraw/zinc/45/76/71/532457671.db2.gz MNEWPDJEHGFYLD-UHFFFAOYSA-N 1 0 397.298 2.084 20 0 GEADRO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(Br)c(C)c1 ZINC000428797562 532462222 /nfs/dbraw/zinc/46/22/22/532462222.db2.gz DMFZOPJJERMDKX-INIZCTEOSA-N 1 0 387.274 2.254 20 0 GEADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1nnc(-c2ccc(Br)o2)n1 ZINC000651138168 532462410 /nfs/dbraw/zinc/46/24/10/532462410.db2.gz QCAZVCRJHLKMLC-CYBMUJFWSA-N 1 0 392.257 2.189 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000428693877 532459779 /nfs/dbraw/zinc/45/97/79/532459779.db2.gz RAJKFSFSULAEKR-UHFFFAOYSA-N 1 0 398.301 2.458 20 0 GEADRO Brc1ccc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)o1 ZINC000373608248 532460868 /nfs/dbraw/zinc/46/08/68/532460868.db2.gz CKCKPHFCLBWIAO-GFCCVEGCSA-N 1 0 391.273 2.486 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000519371178 532460963 /nfs/dbraw/zinc/46/09/63/532460963.db2.gz CPMWYHHINPFYGD-UHFFFAOYSA-N 1 0 376.469 2.232 20 0 GEADRO CS[C@@H]1CN(C(=O)c2c3ccc(Br)cc3nn2C)C[C@H]1[NH+](C)C ZINC000592778997 532463838 /nfs/dbraw/zinc/46/38/38/532463838.db2.gz AWCVTKWHZVWYDH-ZIAGYGMSSA-N 1 0 397.342 2.453 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000683909396 532467198 /nfs/dbraw/zinc/46/71/98/532467198.db2.gz AVFLCPRBBCRFSR-KRWDZBQOSA-N 1 0 385.295 2.099 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC[N@H+](C)C1 ZINC000592806640 532467231 /nfs/dbraw/zinc/46/72/31/532467231.db2.gz SNZHXZJKMHLURU-BBRMVZONSA-N 1 0 395.297 2.042 20 0 GEADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cncc(Br)c1 ZINC000519484872 532466301 /nfs/dbraw/zinc/46/63/01/532466301.db2.gz JQVVKXKRNIQJRH-HNNXBMFYSA-N 1 0 398.326 2.295 20 0 GEADRO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000428966859 532466836 /nfs/dbraw/zinc/46/68/36/532466836.db2.gz LKZYJGORWBQPOQ-UONOGXRCSA-N 1 0 385.555 2.041 20 0 GEADRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CN1C1CC1 ZINC000519536383 532468216 /nfs/dbraw/zinc/46/82/16/532468216.db2.gz KCKRJNKLWSBUSA-GXTWGEPZSA-N 1 0 387.343 2.438 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CCC1 ZINC000428991387 532468611 /nfs/dbraw/zinc/46/86/11/532468611.db2.gz IBAJNJRTHISUEM-HNNXBMFYSA-N 1 0 398.345 2.384 20 0 GEADRO O=C1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)N1 ZINC000683932029 532468997 /nfs/dbraw/zinc/46/89/97/532468997.db2.gz JGHRVIAHTGTCSY-HNNXBMFYSA-N 1 0 382.302 2.044 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000429067997 532469253 /nfs/dbraw/zinc/46/92/53/532469253.db2.gz BGBZOWSHVDUUQZ-IUODEOHRSA-N 1 0 382.302 2.011 20 0 GEADRO CO[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000195134807 532471593 /nfs/dbraw/zinc/47/15/93/532471593.db2.gz CMMLKOQNRJFQFA-ZDUSSCGKSA-N 1 0 393.347 2.177 20 0 GEADRO O=c1cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)nc2ccc(Br)cn12 ZINC000562554707 532472143 /nfs/dbraw/zinc/47/21/43/532472143.db2.gz ZEVQDTRTMXIPKC-MAUKXSAKSA-N 1 0 392.297 2.344 20 0 GEADRO O=S(=O)(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCCOCC1 ZINC000651517014 532472219 /nfs/dbraw/zinc/47/22/19/532472219.db2.gz PWMPPCXZAAKUJI-KRWDZBQOSA-N 1 0 387.933 2.034 20 0 GEADRO CC(C)c1cnc(NC(=O)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000373816059 532472672 /nfs/dbraw/zinc/47/26/72/532472672.db2.gz RJYVBEDDVQKFTF-ZDUSSCGKSA-N 1 0 386.543 2.040 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1nscc1Br ZINC000651536303 532473266 /nfs/dbraw/zinc/47/32/66/532473266.db2.gz RDQMJJXEJHFCQZ-STQMWFEESA-N 1 0 388.331 2.403 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683911522 532467435 /nfs/dbraw/zinc/46/74/35/532467435.db2.gz GBEQEFHCGPLLMU-GUYCJALGSA-N 1 0 385.302 2.132 20 0 GEADRO CN1CCOC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000628453098 532467585 /nfs/dbraw/zinc/46/75/85/532467585.db2.gz IITNWSYYKREHEM-LLVKDONJSA-N 1 0 393.123 2.214 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCOc2c(Br)cccc2C1 ZINC000684333183 532476963 /nfs/dbraw/zinc/47/69/63/532476963.db2.gz NZKPUEXRZNPROX-ZDUSSCGKSA-N 1 0 383.286 2.138 20 0 GEADRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000282552217 532477112 /nfs/dbraw/zinc/47/71/12/532477112.db2.gz XGUQLXBUTCUBTP-UHFFFAOYSA-N 1 0 378.441 2.152 20 0 GEADRO COc1ccc([C@H]([NH2+]CCN2C(=O)CNC2=O)C(C)C)c(Br)c1 ZINC000519787191 532477868 /nfs/dbraw/zinc/47/78/68/532477868.db2.gz BLXCMAKQDNNRLU-OAHLLOKOSA-N 1 0 384.274 2.296 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000519764994 532478057 /nfs/dbraw/zinc/47/80/57/532478057.db2.gz FOWOKORMNBZIMY-VHSXEESVSA-N 1 0 381.420 2.034 20 0 GEADRO C[C@@H](NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000684380408 532478298 /nfs/dbraw/zinc/47/82/98/532478298.db2.gz MTBODTCGELZBMM-IAQYHMDHSA-N 1 0 397.317 2.005 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000195481482 532478398 /nfs/dbraw/zinc/47/83/98/532478398.db2.gz SAGMPNAVIQIAOD-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000562718865 532478768 /nfs/dbraw/zinc/47/87/68/532478768.db2.gz LPMFTOUSDBOBLA-WMLDXEAASA-N 1 0 379.551 2.434 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000519814086 532479701 /nfs/dbraw/zinc/47/97/01/532479701.db2.gz YPRXHZDZBYVVTL-UHFFFAOYSA-N 1 0 378.217 2.170 20 0 GEADRO CC[C@H]([NH2+]CCc1nncn1CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612010 532480464 /nfs/dbraw/zinc/48/04/64/532480464.db2.gz OTXKTJBVZCUFBN-AWEZNQCLSA-N 1 0 385.921 2.143 20 0 GEADRO Cn1cc(Br)cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)c1=O ZINC000373976752 532481450 /nfs/dbraw/zinc/48/14/50/532481450.db2.gz LNBFTGYHZAHHRU-UHFFFAOYSA-N 1 0 383.290 2.286 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)n1 ZINC000373970847 532482028 /nfs/dbraw/zinc/48/20/28/532482028.db2.gz WFVVTCIEZHLKCZ-GHMZBOCLSA-N 1 0 398.330 2.946 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNc1ncnc2cc(I)sc21 ZINC000593464413 532482067 /nfs/dbraw/zinc/48/20/67/532482067.db2.gz FVVAMMWMCXDZSV-GFCCVEGCSA-N 1 0 392.266 2.020 20 0 GEADRO O=C(Cc1csc2ccc(Br)cc12)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629170733 532482130 /nfs/dbraw/zinc/48/21/30/532482130.db2.gz XSJYRSMODYRIBZ-CYBMUJFWSA-N 1 0 383.311 2.389 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC(C)(C)CCO ZINC000295876309 532483382 /nfs/dbraw/zinc/48/33/82/532483382.db2.gz XSSKOFXHEWVIAZ-GFCCVEGCSA-N 1 0 387.318 2.461 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000562806023 532483852 /nfs/dbraw/zinc/48/38/52/532483852.db2.gz HZTMWSMRTNEVFN-HZPDHXFCSA-N 1 0 399.308 2.242 20 0 GEADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CNC(=O)c1ccc(Br)s1 ZINC000684825827 532484427 /nfs/dbraw/zinc/48/44/27/532484427.db2.gz SYPXFOKDTBEANO-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO CC[NH2+]CCCNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000562814271 532484603 /nfs/dbraw/zinc/48/46/03/532484603.db2.gz OPTSZWMLILABKE-UHFFFAOYSA-N 1 0 389.363 2.337 20 0 GEADRO CC(C)(C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)C(=O)N1CCCC1 ZINC000629264599 532484933 /nfs/dbraw/zinc/48/49/33/532484933.db2.gz GYTDCTCYEVVFGV-AWEZNQCLSA-N 1 0 382.302 2.214 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000562820823 532484991 /nfs/dbraw/zinc/48/49/91/532484991.db2.gz CCINGIZUZBWSSM-ZDUSSCGKSA-N 1 0 384.318 2.001 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429958873 532486291 /nfs/dbraw/zinc/48/62/91/532486291.db2.gz BOFHBLHMVCYVRF-AWEZNQCLSA-N 1 0 380.290 2.901 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429976369 532486330 /nfs/dbraw/zinc/48/63/30/532486330.db2.gz VARGHERXESAHGB-GFCCVEGCSA-N 1 0 380.290 2.902 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000236758342 532497098 /nfs/dbraw/zinc/49/70/98/532497098.db2.gz RIUWLHMPGDEFMP-UHFFFAOYSA-N 1 0 387.571 2.099 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Br)C[C@H]21 ZINC000629354199 532489113 /nfs/dbraw/zinc/48/91/13/532489113.db2.gz KKNRPWYLXHPMHQ-IWIIMEHWSA-N 1 0 379.707 2.283 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c(C)c1Cl ZINC000374087311 532489137 /nfs/dbraw/zinc/48/91/37/532489137.db2.gz BTRTYTPDCIAVOF-OWUUHHOZSA-N 1 0 378.903 2.139 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1[nH]nc2ccccc21)c1ccc(Cl)cc1F ZINC000685042622 532490353 /nfs/dbraw/zinc/49/03/53/532490353.db2.gz IAIADMUVCMQGOX-UHFFFAOYSA-N 1 0 382.848 2.424 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000469097904 532491380 /nfs/dbraw/zinc/49/13/80/532491380.db2.gz SVEDVCBESYTNPK-AWEZNQCLSA-N 1 0 396.329 2.092 20 0 GEADRO Cc1ccc(NC(=O)CC[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)nc1 ZINC000562985450 532491759 /nfs/dbraw/zinc/49/17/59/532491759.db2.gz IPBIQDYGEXRRQP-UHFFFAOYSA-N 1 0 381.885 2.436 20 0 GEADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000520409437 532491770 /nfs/dbraw/zinc/49/17/70/532491770.db2.gz KDXNFUBUTONHKR-CABCVRRESA-N 1 0 396.329 2.473 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000469108699 532491875 /nfs/dbraw/zinc/49/18/75/532491875.db2.gz YLBRKFCAOFIFSM-CQSZACIVSA-N 1 0 380.286 2.429 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000295989976 532492292 /nfs/dbraw/zinc/49/22/92/532492292.db2.gz INKYIZQDPQPJFT-LBPRGKRZSA-N 1 0 395.301 2.034 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)CCOCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000520661915 532497210 /nfs/dbraw/zinc/49/72/10/532497210.db2.gz JXBHXKGWKODAOM-HIFRSBDPSA-N 1 0 380.432 2.148 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000520473436 532493119 /nfs/dbraw/zinc/49/31/19/532493119.db2.gz DPLMKFJYXZXPDQ-CKEIUWERSA-N 1 0 387.571 2.042 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000520429244 532493193 /nfs/dbraw/zinc/49/31/93/532493193.db2.gz LHFJJZFNAHCWSF-ZDUSSCGKSA-N 1 0 398.345 2.466 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000236680892 532493280 /nfs/dbraw/zinc/49/32/80/532493280.db2.gz QNOXZZKFCNTCQJ-ABAIWWIYSA-N 1 0 387.933 2.274 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)Nc1ccccc1Br ZINC000374228564 532493678 /nfs/dbraw/zinc/49/36/78/532493678.db2.gz HROVISONDCRUAJ-JSGCOSHPSA-N 1 0 382.302 2.229 20 0 GEADRO CC(C)OC[C@@H](O)C[NH2+]CCOc1ccc(I)cc1 ZINC000563010457 532493791 /nfs/dbraw/zinc/49/37/91/532493791.db2.gz HKCGQFMGXJDDJE-ZDUSSCGKSA-N 1 0 379.238 2.046 20 0 GEADRO CC[N@H+](CCCNS(=O)(=O)c1cnn(CC(F)F)c1)C1CCCCC1 ZINC000651804260 532494091 /nfs/dbraw/zinc/49/40/91/532494091.db2.gz XYWCVPYDRRGKHX-UHFFFAOYSA-N 1 0 378.489 2.471 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000282768055 532494675 /nfs/dbraw/zinc/49/46/75/532494675.db2.gz PJHVQYATQQNIEI-NSHDSACASA-N 1 0 395.301 2.243 20 0 GEADRO COc1ncc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Br ZINC000520566205 532495725 /nfs/dbraw/zinc/49/57/25/532495725.db2.gz FECWMHUBTGGONL-CABCVRRESA-N 1 0 398.301 2.211 20 0 GEADRO COCC[C@]1(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000430314711 532495825 /nfs/dbraw/zinc/49/58/25/532495825.db2.gz ZIIOFFOAIFSPAN-FUHWJXTLSA-N 1 0 397.313 2.365 20 0 GEADRO COCC[NH2+]CC(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000563055010 532496431 /nfs/dbraw/zinc/49/64/31/532496431.db2.gz JVFVAKXZOYENPU-UHFFFAOYSA-N 1 0 381.270 2.333 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000236770439 532496559 /nfs/dbraw/zinc/49/65/59/532496559.db2.gz WQAIZRZERVYEHL-LBPRGKRZSA-N 1 0 382.302 2.436 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000519660650 532474406 /nfs/dbraw/zinc/47/44/06/532474406.db2.gz XEKCLUJEBNPNFE-WDEREUQCSA-N 1 0 376.507 2.429 20 0 GEADRO COCC[C@H](COC)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000520666988 532496665 /nfs/dbraw/zinc/49/66/65/532496665.db2.gz XTDFLLCHRBGDBQ-VHSXEESVSA-N 1 0 385.313 2.343 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000468821999 532476291 /nfs/dbraw/zinc/47/62/91/532476291.db2.gz FGTBFGBSVQEYBA-UONOGXRCSA-N 1 0 385.302 2.396 20 0 GEADRO NC(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)nc1Cl ZINC000282859015 532502227 /nfs/dbraw/zinc/50/22/27/532502227.db2.gz CNMFTIMMPJOOHK-ZDUSSCGKSA-N 1 0 378.885 2.462 20 0 GEADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000563388510 532502315 /nfs/dbraw/zinc/50/23/15/532502315.db2.gz SKHYTOFJQIOYGY-KFWWJZLASA-N 1 0 380.476 2.366 20 0 GEADRO CCN(CC[NH3+])C(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000629808725 532502673 /nfs/dbraw/zinc/50/26/73/532502673.db2.gz JHFCGOXZAXVQHE-INIZCTEOSA-N 1 0 396.329 2.180 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000431015248 532502650 /nfs/dbraw/zinc/50/26/50/532502650.db2.gz SXHUHIXANJMUDV-UHFFFAOYSA-N 1 0 389.880 2.202 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000593915103 532502889 /nfs/dbraw/zinc/50/28/89/532502889.db2.gz GCGNMYFXVJDPPN-CQSZACIVSA-N 1 0 393.285 2.290 20 0 GEADRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Br)cn1 ZINC000520997348 532503005 /nfs/dbraw/zinc/50/30/05/532503005.db2.gz HFFODDKZHJLCQR-AWEZNQCLSA-N 1 0 384.318 2.376 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1I ZINC000593920669 532503228 /nfs/dbraw/zinc/50/32/28/532503228.db2.gz NHQALIYSLDXQGB-WDEREUQCSA-N 1 0 394.278 2.100 20 0 GEADRO CN(C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH2+]CC1 ZINC000237093235 532503413 /nfs/dbraw/zinc/50/34/13/532503413.db2.gz FMUOWJXHLXTTMY-OAHLLOKOSA-N 1 0 380.286 2.012 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000237073175 532503455 /nfs/dbraw/zinc/50/34/55/532503455.db2.gz PIKIPISGXQKQSB-BXUZGUMPSA-N 1 0 390.347 2.311 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c([nH]2)c(Br)ccc3OC)C1 ZINC000593913483 532503386 /nfs/dbraw/zinc/50/33/86/532503386.db2.gz PHMNMQZPXRLTJT-LLVKDONJSA-N 1 0 396.285 2.390 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(Br)cc1C(F)(F)F ZINC000629915447 532503782 /nfs/dbraw/zinc/50/37/82/532503782.db2.gz IXAUOMUDUCPSBS-JTQLQIEISA-N 1 0 381.192 2.264 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000237073454 532503996 /nfs/dbraw/zinc/50/39/96/532503996.db2.gz PIKIPISGXQKQSB-RISCZKNCSA-N 1 0 390.347 2.311 20 0 GEADRO [NH3+]CC1(CCNC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000652140670 532503929 /nfs/dbraw/zinc/50/39/29/532503929.db2.gz ZCFYJFSVLLDNIZ-UHFFFAOYSA-N 1 0 384.274 2.149 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000563410203 532504111 /nfs/dbraw/zinc/50/41/11/532504111.db2.gz FGHYIWXNRMDJMO-CYBMUJFWSA-N 1 0 378.274 2.204 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000431036854 532504138 /nfs/dbraw/zinc/50/41/38/532504138.db2.gz KRCSISNDKAVHMG-UHFFFAOYSA-N 1 0 395.301 2.251 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000237073204 532504182 /nfs/dbraw/zinc/50/41/82/532504182.db2.gz PIKIPISGXQKQSB-SMDDNHRTSA-N 1 0 390.347 2.311 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(Br)cc(Br)c1 ZINC000629916393 532504162 /nfs/dbraw/zinc/50/41/62/532504162.db2.gz YQNARONRWSZUMD-LBPRGKRZSA-N 1 0 392.091 2.008 20 0 GEADRO C[NH2+]CCNC(=O)c1cccc(Br)c1I ZINC000237097745 532504254 /nfs/dbraw/zinc/50/42/54/532504254.db2.gz SFLIRPILPMDKMC-UHFFFAOYSA-N 1 0 383.027 2.003 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)cc1Cl ZINC000374470372 532504838 /nfs/dbraw/zinc/50/48/38/532504838.db2.gz ZPAJOLCIEJCJDH-ZJUUUORDSA-N 1 0 377.293 2.363 20 0 GEADRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000563455858 532505059 /nfs/dbraw/zinc/50/50/59/532505059.db2.gz CCAOSJVCWOCGHE-CABZTGNLSA-N 1 0 380.246 2.221 20 0 GEADRO O=C(Cc1cc(Cl)ccc1Cl)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374472738 532505474 /nfs/dbraw/zinc/50/54/74/532505474.db2.gz RDVDBGRSXVZIPM-UHFFFAOYSA-N 1 0 387.307 2.222 20 0 GEADRO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374473444 532505526 /nfs/dbraw/zinc/50/55/26/532505526.db2.gz URYBPXLEEYPVKD-UHFFFAOYSA-N 1 0 391.270 2.432 20 0 GEADRO C[S@@](=O)CCCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000521066552 532505511 /nfs/dbraw/zinc/50/55/11/532505511.db2.gz WRYHCHITEOIHBL-IVCQMTBJSA-N 1 0 376.444 2.326 20 0 GEADRO CCO[C@@H]1CN(C(=O)NC/C=C\c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000652197244 532505718 /nfs/dbraw/zinc/50/57/18/532505718.db2.gz SDLKFKUXSXRUIL-RAQZUPNJSA-N 1 0 382.302 2.468 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000237241889 532505717 /nfs/dbraw/zinc/50/57/17/532505717.db2.gz VWAULNXQPXLGCE-FOSCPWQOSA-N 1 0 389.880 2.341 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000237267139 532505970 /nfs/dbraw/zinc/50/59/70/532505970.db2.gz OEAHDYHLNKWXEF-ZDUSSCGKSA-N 1 0 392.301 2.410 20 0 GEADRO CCO[C@@H]1CN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C[C@H]1C[NH3+] ZINC000652188357 532506057 /nfs/dbraw/zinc/50/60/57/532506057.db2.gz KEYCWPBHADMMAX-BYCMXARLSA-N 1 0 398.301 2.278 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1Br ZINC000469604861 532506115 /nfs/dbraw/zinc/50/61/15/532506115.db2.gz MSRKAOMRDBDSGS-UHFFFAOYSA-N 1 0 382.302 2.496 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c2ccsc2S1(=O)=O ZINC000563605743 532506251 /nfs/dbraw/zinc/50/62/51/532506251.db2.gz CUHGAPLZKQGWTC-RVSPLBMKSA-N 1 0 383.539 2.140 20 0 GEADRO [NH3+]CC1(CCNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000652242620 532506776 /nfs/dbraw/zinc/50/67/76/532506776.db2.gz AXZJMAAQPMWDAL-LLVKDONJSA-N 1 0 376.284 2.161 20 0 GEADRO [NH3+][C@H]1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000563608582 532507161 /nfs/dbraw/zinc/50/71/61/532507161.db2.gz OSFAVLQRYCOXOL-KSYCFECVSA-N 1 0 397.317 2.491 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1F ZINC000594462659 532507659 /nfs/dbraw/zinc/50/76/59/532507659.db2.gz FHCLXDFOASOHDM-NSHDSACASA-N 1 0 392.880 2.276 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652375437 532508189 /nfs/dbraw/zinc/50/81/89/532508189.db2.gz QTYIFCKPJZVYFC-AEGPPILISA-N 1 0 388.917 2.256 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(Cl)c(F)c3)CC2)C1 ZINC000652372505 532508343 /nfs/dbraw/zinc/50/83/43/532508343.db2.gz PFERZBNGHHCKLG-WBMJQRKESA-N 1 0 376.881 2.386 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)N3CCC[NH2+]CC3)[nH]c(=O)c2c1C ZINC000237339371 532508380 /nfs/dbraw/zinc/50/83/80/532508380.db2.gz JAKLOUJWFFXLPD-GFCCVEGCSA-N 1 0 380.539 2.045 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3F)C2)C1 ZINC000652375455 532508517 /nfs/dbraw/zinc/50/85/17/532508517.db2.gz RCVQKWZBHNBZIM-YRGRVCCFSA-N 1 0 376.881 2.386 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652375440 532508656 /nfs/dbraw/zinc/50/86/56/532508656.db2.gz QTYIFCKPJZVYFC-QEJZJMRPSA-N 1 0 388.917 2.256 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)COc1cccc(I)c1 ZINC000469669425 532508752 /nfs/dbraw/zinc/50/87/52/532508752.db2.gz HNZQFXFIYGVUQO-VXGBXAGGSA-N 1 0 388.249 2.221 20 0 GEADRO C[C@H]1CCCN(C(=O)COc2ccc(I)cc2)[C@H]1C[NH3+] ZINC000237697396 532509004 /nfs/dbraw/zinc/50/90/04/532509004.db2.gz QWDNIVRWIMQPJY-FZMZJTMJSA-N 1 0 388.249 2.256 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000282937769 532508976 /nfs/dbraw/zinc/50/89/76/532508976.db2.gz MIYBELCREDHSHA-VIFPVBQESA-N 1 0 376.682 2.497 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)CNC(=O)OCC(F)(F)F)c1ccc(Cl)cc1 ZINC000282958817 532509045 /nfs/dbraw/zinc/50/90/45/532509045.db2.gz NXCPBXOFGBMBGW-LBPRGKRZSA-N 1 0 381.782 2.347 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1CC1 ZINC000237633444 532509255 /nfs/dbraw/zinc/50/92/55/532509255.db2.gz FYOVVWCCOWRLJX-GTNSWQLSSA-N 1 0 380.286 2.046 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1Cl ZINC000652376960 532509882 /nfs/dbraw/zinc/50/98/82/532509882.db2.gz OECANHOFIARBFM-YPMHNXCESA-N 1 0 376.906 2.495 20 0 GEADRO O=C(CCc1ccc(Cl)s1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237663008 532509964 /nfs/dbraw/zinc/50/99/64/532509964.db2.gz DKDOHLBCIPDNNA-ZFWWWQNUSA-N 1 0 383.945 2.441 20 0 GEADRO OCC[N@H+](CCN1CCOCC1)Cc1ccc(Br)c(Cl)c1 ZINC000469726113 532510062 /nfs/dbraw/zinc/51/00/62/532510062.db2.gz AWYBLWMWGMSSSI-UHFFFAOYSA-N 1 0 377.710 2.229 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)cc1OC ZINC000652381333 532510138 /nfs/dbraw/zinc/51/01/38/532510138.db2.gz WRVOZQHSDHLDAV-UHFFFAOYSA-N 1 0 388.848 2.434 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594483001 532510532 /nfs/dbraw/zinc/51/05/32/532510532.db2.gz HCWZLCONUNSFQZ-LSDHHAIUSA-N 1 0 386.901 2.422 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594484337 532510992 /nfs/dbraw/zinc/51/09/92/532510992.db2.gz PTOJVWPEVWRRKC-GJZGRUSLSA-N 1 0 386.901 2.422 20 0 GEADRO C[C@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)CCC[NH2+]C1 ZINC000237754352 532511125 /nfs/dbraw/zinc/51/11/25/532511125.db2.gz UAOUEGOQIXMRAK-KRWDZBQOSA-N 1 0 382.302 2.075 20 0 GEADRO Cc1c(C(=O)N2CCC[C@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000237754976 532511200 /nfs/dbraw/zinc/51/12/00/532511200.db2.gz ZMFMBNNWUNCQFZ-GFCCVEGCSA-N 1 0 378.274 2.149 20 0 GEADRO O=C(NC[C@H]1CCCN(C(=O)c2nc(Cl)ccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000237713975 532511445 /nfs/dbraw/zinc/51/14/45/532511445.db2.gz XQPFYQWHJUSARN-DGCLKSJQSA-N 1 0 385.295 2.109 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000563874791 532511434 /nfs/dbraw/zinc/51/14/34/532511434.db2.gz KKIINWFAKLJUEJ-AWEZNQCLSA-N 1 0 379.302 2.247 20 0 GEADRO COC(=O)c1sc2ccccc2c1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594523843 532512091 /nfs/dbraw/zinc/51/20/91/532512091.db2.gz FLVVPWMDDMMXLF-NSHDSACASA-N 1 0 375.372 2.377 20 0 GEADRO [NH3+][C@H](C(=O)N1CCO[C@@H](c2ccccc2Br)C1)C1CCOCC1 ZINC000374588766 532513470 /nfs/dbraw/zinc/51/34/70/532513470.db2.gz XPAIOAXOVXPDAY-CVEARBPZSA-N 1 0 383.286 2.103 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000563907693 532513684 /nfs/dbraw/zinc/51/36/84/532513684.db2.gz IWVPSJAPGOCWSI-QGZVFWFLSA-N 1 0 380.901 2.329 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1F ZINC000594532284 532513828 /nfs/dbraw/zinc/51/38/28/532513828.db2.gz LZODVGQOKJNZCB-GXFFZTMASA-N 1 0 392.880 2.404 20 0 GEADRO O[C@H](CNCc1nc(-c2cccc(Br)c2)c[nH]1)C[NH+]1CCCC1 ZINC000237984573 532514265 /nfs/dbraw/zinc/51/42/65/532514265.db2.gz FCXRTLANUKHZQU-OAHLLOKOSA-N 1 0 379.302 2.386 20 0 GEADRO COC(=O)c1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c(C)o1 ZINC000594616651 532514777 /nfs/dbraw/zinc/51/47/77/532514777.db2.gz VSUDSXNGUVSSJG-UHFFFAOYSA-N 1 0 386.857 2.096 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cccc(C[S@](=O)C2CCOCC2)c1 ZINC000564080926 532515464 /nfs/dbraw/zinc/51/54/64/532515464.db2.gz HOJKNWBFPABZDE-CPJLOUKISA-N 1 0 382.551 2.148 20 0 GEADRO [NH3+]CCCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000237975559 532515575 /nfs/dbraw/zinc/51/55/75/532515575.db2.gz NEURMUGANDLLJT-UHFFFAOYSA-N 1 0 393.962 2.144 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000521610913 532516232 /nfs/dbraw/zinc/51/62/32/532516232.db2.gz HKWOJCWYRJRDIX-KBRIMQKVSA-N 1 0 380.330 2.305 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000238083798 532516273 /nfs/dbraw/zinc/51/62/73/532516273.db2.gz IRCFKGISXYGKJN-LBPRGKRZSA-N 1 0 399.563 2.099 20 0 GEADRO O=S(=O)(N[C@H]1CCC[N@@H+](CCCO)C1)c1cccc2c(Cl)ccnc21 ZINC000296348705 532516309 /nfs/dbraw/zinc/51/63/09/532516309.db2.gz VXJLBXONOHMOOX-ZDUSSCGKSA-N 1 0 383.901 2.013 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000431555930 532516433 /nfs/dbraw/zinc/51/64/33/532516433.db2.gz JSLWKYUIGPQQCN-ZFWWWQNUSA-N 1 0 387.571 2.287 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000652642935 532516731 /nfs/dbraw/zinc/51/67/31/532516731.db2.gz QHRFVCJLHRAEAV-UHFFFAOYSA-N 1 0 375.803 2.386 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000238034554 532516807 /nfs/dbraw/zinc/51/68/07/532516807.db2.gz YXAYIEBICXMRHF-SNVBAGLBSA-N 1 0 385.287 2.443 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652667607 532517335 /nfs/dbraw/zinc/51/73/35/532517335.db2.gz YHSOMSADZFJXDF-ZDUSSCGKSA-N 1 0 396.329 2.002 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652680794 532517957 /nfs/dbraw/zinc/51/79/57/532517957.db2.gz QNNQTKBGRLTUFN-UHFFFAOYSA-N 1 0 396.329 2.188 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000374779798 532518016 /nfs/dbraw/zinc/51/80/16/532518016.db2.gz PSNDTQUDBOCVEX-KSSFIOAISA-N 1 0 386.945 2.367 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000564226345 532518540 /nfs/dbraw/zinc/51/85/40/532518540.db2.gz VQNSQCMBSYNKPM-UHFFFAOYSA-N 1 0 378.274 2.204 20 0 GEADRO CCn1c(C[NH2+]C[C@H](O)Cn2cccn2)nc2cc(Br)ccc21 ZINC000520799091 532498092 /nfs/dbraw/zinc/49/80/92/532498092.db2.gz FHMZSNBPTPLFBT-ZDUSSCGKSA-N 1 0 378.274 2.166 20 0 GEADRO CCOc1cc(CNCc2nc(C[NH3+])cc(=O)[nH]2)cc(Br)c1OC ZINC000629654821 532498605 /nfs/dbraw/zinc/49/86/05/532498605.db2.gz GEPSZYDIMGTHLP-UHFFFAOYSA-N 1 0 397.273 2.101 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccccc1Br ZINC000563330806 532498517 /nfs/dbraw/zinc/49/85/17/532498517.db2.gz LKFWWWAOJLSODL-CYBMUJFWSA-N 1 0 382.302 2.056 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000296077210 532499517 /nfs/dbraw/zinc/49/95/17/532499517.db2.gz DOHJACBHNWRCIJ-UHFFFAOYSA-N 1 0 395.301 2.224 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000563335880 532500290 /nfs/dbraw/zinc/50/02/90/532500290.db2.gz BUURBVQVHXKIIE-UHFFFAOYSA-N 1 0 395.297 2.452 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000236883664 532500959 /nfs/dbraw/zinc/50/09/59/532500959.db2.gz QVDZKNLCKCXFMK-LLVKDONJSA-N 1 0 396.340 2.296 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000593896831 532501138 /nfs/dbraw/zinc/50/11/38/532501138.db2.gz MBRVNQOEKWEJJZ-JYJNAYRXSA-N 1 0 394.313 2.009 20 0 GEADRO C[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)Oc1ccc(Br)cc1 ZINC000563390322 532501532 /nfs/dbraw/zinc/50/15/32/532501532.db2.gz JXDSZRAQYBJGNX-BLQFLSLASA-N 1 0 396.285 2.327 20 0 GEADRO 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2.025 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000375293172 532547913 /nfs/dbraw/zinc/54/79/13/532547913.db2.gz QNIHZVIHEYVLNW-UHFFFAOYSA-N 1 0 395.301 2.117 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000654069251 532547959 /nfs/dbraw/zinc/54/79/59/532547959.db2.gz GPKFEHYJJQNCJE-BJHJDKERSA-N 1 0 378.523 2.456 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccnc(Br)c2)CC1 ZINC000296863345 532548780 /nfs/dbraw/zinc/54/87/80/532548780.db2.gz LEGPWFNJEXHOKM-CYBMUJFWSA-N 1 0 384.322 2.239 20 0 GEADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cnn(CC(F)F)c2)[C@H]1c1cccs1 ZINC000375308675 532548849 /nfs/dbraw/zinc/54/88/49/532548849.db2.gz KTHFZUCJXUKMBA-ABAIWWIYSA-N 1 0 390.481 2.181 20 0 GEADRO O[C@H](CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(F)F ZINC000631216859 532549181 /nfs/dbraw/zinc/54/91/81/532549181.db2.gz RXXDWSDBJABYRM-CQSZACIVSA-N 1 0 379.245 2.391 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c(Br)c1 ZINC000375318101 532549388 /nfs/dbraw/zinc/54/93/88/532549388.db2.gz HOLHTAFOVMZOAG-AWEZNQCLSA-N 1 0 393.285 2.338 20 0 GEADRO O=S1(=O)CC[C@@H](C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)C1 ZINC000375837970 532583221 /nfs/dbraw/zinc/58/32/21/532583221.db2.gz HVBBVLKXFFSMBC-HOCLYGCPSA-N 1 0 377.428 2.431 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)n2)s1 ZINC000262037331 532583361 /nfs/dbraw/zinc/58/33/61/532583361.db2.gz FUDKWDZIFSIEGZ-UHFFFAOYSA-N 1 0 385.536 2.285 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)c(C)n(C)c2=O)CC1 ZINC000655271248 532583513 /nfs/dbraw/zinc/58/35/13/532583513.db2.gz WDELNHHLZBOBFU-UHFFFAOYSA-N 1 0 384.318 2.403 20 0 GEADRO O=C([C@@H]1C[NH2+]CCO1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525467 532595515 /nfs/dbraw/zinc/59/55/15/532595515.db2.gz QBLLWTXFWXHZGF-ZDUSSCGKSA-N 1 0 378.687 2.284 20 0 GEADRO C[C@@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)C[NH+]1CCCC1 ZINC000297359567 532584110 /nfs/dbraw/zinc/58/41/10/532584110.db2.gz RGFMWRGEKUILPX-NSHDSACASA-N 1 0 381.278 2.345 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655246269 532584427 /nfs/dbraw/zinc/58/44/27/532584427.db2.gz FQMAHEODJDWVHQ-MXWKQRLJSA-N 1 0 388.331 2.085 20 0 GEADRO C[C@@H]1CCc2c(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)csc2C1 ZINC000262075566 532584530 /nfs/dbraw/zinc/58/45/30/532584530.db2.gz SUAVUKFTEVNNAN-ABAIWWIYSA-N 1 0 375.460 2.439 20 0 GEADRO C[C@@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1ccc(Br)cn1 ZINC000297362951 532584656 /nfs/dbraw/zinc/58/46/56/532584656.db2.gz KVQOOYVTHGPYNY-LLVKDONJSA-N 1 0 381.278 2.485 20 0 GEADRO COc1sc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Br ZINC000262072721 532584852 /nfs/dbraw/zinc/58/48/52/532584852.db2.gz SEVIFGZUSZWOQM-NSHDSACASA-N 1 0 390.347 2.339 20 0 GEADRO Cc1cc2c(o1)c(C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)ccc2Br ZINC000655296515 532585473 /nfs/dbraw/zinc/58/54/73/532585473.db2.gz ZQHPNNUMIQOASH-NWDGAFQWSA-N 1 0 379.254 2.395 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000262150495 532586049 /nfs/dbraw/zinc/58/60/49/532586049.db2.gz PDPLHKQLCGVMHW-HNNXBMFYSA-N 1 0 380.901 2.425 20 0 GEADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(O)ccc2Br)cn1 ZINC000433977724 532586056 /nfs/dbraw/zinc/58/60/56/532586056.db2.gz WCZWZCPDNYNYFX-WBVHZDCISA-N 1 0 393.285 2.481 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262146159 532586385 /nfs/dbraw/zinc/58/63/85/532586385.db2.gz FMCLEIDSNFYPRM-NSHDSACASA-N 1 0 397.850 2.027 20 0 GEADRO O=C(CSc1ccc(Cl)cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262170621 532587886 /nfs/dbraw/zinc/58/78/86/532587886.db2.gz YMNGRNYTGKXOAL-CYBMUJFWSA-N 1 0 381.851 2.384 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(OC)c1)C(C)C ZINC000473336217 532588830 /nfs/dbraw/zinc/58/88/30/532588830.db2.gz QKEOXEORTBCZBY-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO C[C@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197591 532589006 /nfs/dbraw/zinc/58/90/06/532589006.db2.gz UADPDRINTSEIHI-QWRGUYRKSA-N 1 0 380.436 2.360 20 0 GEADRO CC(F)(F)CCS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000632196565 532589309 /nfs/dbraw/zinc/58/93/09/532589309.db2.gz CPTNHVMUMKXKMA-MRXNPFEDSA-N 1 0 376.469 2.108 20 0 GEADRO O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000376011798 532589638 /nfs/dbraw/zinc/58/96/38/532589638.db2.gz BHOZBDXKGCWYLU-GFCCVEGCSA-N 1 0 380.436 2.034 20 0 GEADRO Cc1cc(CCC(=O)N2CCN(CC[NH+](C)C)CC2)ccc1Br ZINC000434229928 532589903 /nfs/dbraw/zinc/58/99/03/532589903.db2.gz UNWSFXFBXVRHFV-UHFFFAOYSA-N 1 0 382.346 2.396 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000376023009 532591640 /nfs/dbraw/zinc/59/16/40/532591640.db2.gz WDAJNXJGURLDFS-UHFFFAOYSA-N 1 0 394.313 2.312 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cn1nnnc1-c1ccsc1 ZINC000566069449 532591827 /nfs/dbraw/zinc/59/18/27/532591827.db2.gz BYHQQQHELZYEHF-UHFFFAOYSA-N 1 0 376.511 2.054 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000655505908 532592356 /nfs/dbraw/zinc/59/23/56/532592356.db2.gz ILPKUYGGERUNEV-DGCLKSJQSA-N 1 0 377.794 2.198 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CCC2(CC[NH2+]2)CC1)c1ccc(Br)cc1 ZINC000566093021 532593012 /nfs/dbraw/zinc/59/30/12/532593012.db2.gz BHCYHMPNPQDSHE-INIZCTEOSA-N 1 0 394.313 2.371 20 0 GEADRO [NH3+]C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)(F)F ZINC000655511146 532593659 /nfs/dbraw/zinc/59/36/59/532593659.db2.gz ZBWFPBQOHZALPL-KCJUWKMLSA-N 1 0 384.185 2.352 20 0 GEADRO CCn1cc(Br)cc1C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262457867 532594138 /nfs/dbraw/zinc/59/41/38/532594138.db2.gz VLRNLSVIONXDKY-UHFFFAOYSA-N 1 0 381.278 2.118 20 0 GEADRO [NH3+]C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)C(F)(F)F ZINC000655513182 532594475 /nfs/dbraw/zinc/59/44/75/532594475.db2.gz RAYDOKAOPVUMDK-SECBINFHSA-N 1 0 378.401 2.005 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]([NH3+])CCSC)ccc1Cl ZINC000262461220 532594717 /nfs/dbraw/zinc/59/47/17/532594717.db2.gz WCAJIGKPIYYNKV-ZDUSSCGKSA-N 1 0 393.962 2.389 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)sc1Cl ZINC000376069761 532594863 /nfs/dbraw/zinc/59/48/63/532594863.db2.gz ROFAQYOWYXXVMX-ZDUSSCGKSA-N 1 0 391.990 2.499 20 0 GEADRO CC[C@@H]1CN(CC(=O)Nc2ccccc2I)CC[C@H]1[NH3+] ZINC000251555239 532571476 /nfs/dbraw/zinc/57/14/76/532571476.db2.gz BHCJIXVTPHXHGA-DGCLKSJQSA-N 1 0 387.265 2.289 20 0 GEADRO C[C@H](Sc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)C(N)=O ZINC000565599622 532571512 /nfs/dbraw/zinc/57/15/12/532571512.db2.gz XHXDMDMTQITDJO-UWVGGRQHSA-N 1 0 376.507 2.177 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000565589724 532571604 /nfs/dbraw/zinc/57/16/04/532571604.db2.gz NGLPPMQKKLVJGR-HZPDHXFCSA-N 1 0 386.901 2.422 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000251945716 532571634 /nfs/dbraw/zinc/57/16/34/532571634.db2.gz TXRLLDSBIRNIFC-MELADBBJSA-N 1 0 385.302 2.130 20 0 GEADRO C[N@H+](CCCOc1cccc(I)c1)C[C@H]1COCCO1 ZINC000595741425 532571780 /nfs/dbraw/zinc/57/17/80/532571780.db2.gz NSWHAGXJRXRIJR-HNNXBMFYSA-N 1 0 391.249 2.407 20 0 GEADRO CO[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1Br ZINC000654857393 532572348 /nfs/dbraw/zinc/57/23/48/532572348.db2.gz QDZLWXINDAFCJH-KRWDZBQOSA-N 1 0 398.345 2.279 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000283992946 532572464 /nfs/dbraw/zinc/57/24/64/532572464.db2.gz DEKSRXSIQJNDJI-JTQLQIEISA-N 1 0 378.420 2.481 20 0 GEADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631994369 532572446 /nfs/dbraw/zinc/57/24/46/532572446.db2.gz KRCVISKIXXHSQI-IINYFYTJSA-N 1 0 377.279 2.351 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631995162 532572564 /nfs/dbraw/zinc/57/25/64/532572564.db2.gz ZPUHCHHPXWHHRY-ZWNOBZJWSA-N 1 0 377.279 2.351 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000654888697 532573228 /nfs/dbraw/zinc/57/32/28/532573228.db2.gz RURIUQCFHAECPZ-JGZJWPJOSA-N 1 0 375.803 2.336 20 0 GEADRO O=C(C[NH2+][C@H]1C[C@H](O)C12CCC2)Nc1ccccc1I ZINC000595779498 532573812 /nfs/dbraw/zinc/57/38/12/532573812.db2.gz FQTBEBDZHCRLHI-STQMWFEESA-N 1 0 386.233 2.123 20 0 GEADRO Cc1c(Br)cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(=O)n1C ZINC000433601575 532573992 /nfs/dbraw/zinc/57/39/92/532573992.db2.gz ZPNGRDPEVNBKOY-NEPJUHHUSA-N 1 0 384.318 2.449 20 0 GEADRO O=C(CC[NH2+][C@H]1CCCN(CCCO)C1)Nc1ccc(Br)cc1 ZINC000565716521 532574229 /nfs/dbraw/zinc/57/42/29/532574229.db2.gz ILLYOQOXSUBYQX-INIZCTEOSA-N 1 0 384.318 2.214 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)s2)cs1 ZINC000565763994 532575757 /nfs/dbraw/zinc/57/57/57/532575757.db2.gz CYGWPANIFWHFAU-GFCCVEGCSA-N 1 0 380.539 2.286 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ncsc1Br ZINC000632025209 532576092 /nfs/dbraw/zinc/57/60/92/532576092.db2.gz CVYSQSMOUPFTAF-KOLCDFICSA-N 1 0 382.349 2.007 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)C[C@H]2CCCC(F)(F)C2)CC1 ZINC000632031762 532576436 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C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000261736964 532578097 /nfs/dbraw/zinc/57/80/97/532578097.db2.gz ICFSZCYFJNAWGW-DOMZBBRYSA-N 1 0 382.302 2.155 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[C@H]1F ZINC000595949513 532579550 /nfs/dbraw/zinc/57/95/50/532579550.db2.gz WFIHRUVYSPUXJL-XDEPDNQISA-N 1 0 391.306 2.235 20 0 GEADRO CC(C)Cn1cc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000375738608 532579538 /nfs/dbraw/zinc/57/95/38/532579538.db2.gz PZEBKPLAPDPDHS-OAHLLOKOSA-N 1 0 382.555 2.401 20 0 GEADRO O=C(NCCc1ccc(I)cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000595948636 532579662 /nfs/dbraw/zinc/57/96/62/532579662.db2.gz SOAJKXNXRKYDNR-GJZGRUSLSA-N 1 0 384.261 2.481 20 0 GEADRO COC(=O)c1occc1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000595943868 532579707 /nfs/dbraw/zinc/57/97/07/532579707.db2.gz PHOYUAGNIAJUCZ-INIZCTEOSA-N 1 0 381.226 2.319 20 0 GEADRO CC1(C)CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261943961 532579782 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C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000262824289 532602470 /nfs/dbraw/zinc/60/24/70/532602470.db2.gz PVIJVNXVAMCZIW-DAXOMENPSA-N 1 0 394.313 2.168 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)c(F)c1F ZINC000529445240 532603028 /nfs/dbraw/zinc/60/30/28/532603028.db2.gz WCXHUOVXEGMCAO-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000473930673 532602870 /nfs/dbraw/zinc/60/28/70/532602870.db2.gz HRIQOKUUCSFNAB-GXTWGEPZSA-N 1 0 385.295 2.444 20 0 GEADRO COc1cc(CN(C)C(=O)N[C@H](C[NH3+])C(F)(F)F)c(SC)cc1OC ZINC000655919730 532603299 /nfs/dbraw/zinc/60/32/99/532603299.db2.gz RDPXGCRNRYOICJ-CYBMUJFWSA-N 1 0 381.420 2.457 20 0 GEADRO COC(=O)CC1([NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000566307928 532603430 /nfs/dbraw/zinc/60/34/30/532603430.db2.gz CFZZCFJUQNXZPD-UHFFFAOYSA-N 1 0 377.185 2.351 20 0 GEADRO Cn1ccc([C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c2ccc(Cl)cc2)n1 ZINC000655925238 532603435 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[NH3+]C[C@H](NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC000655917563 532603929 /nfs/dbraw/zinc/60/39/29/532603929.db2.gz URPLHCVLVVDTRW-JTQLQIEISA-N 1 0 377.754 2.121 20 0 GEADRO O=C(Nc1cc(Br)ccn1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000284599084 532604301 /nfs/dbraw/zinc/60/43/01/532604301.db2.gz AFVORORPMIKQGT-LBPRGKRZSA-N 1 0 383.290 2.467 20 0 GEADRO CCN(C(=O)Nc1ccncc1I)[C@@H]1CC[N@H+](CC)C1 ZINC000596825252 532604461 /nfs/dbraw/zinc/60/44/61/532604461.db2.gz ARPYJNHOXHGCFP-LLVKDONJSA-N 1 0 388.253 2.056 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC[N@@H+](C2CCC2)C1 ZINC000632360756 532604738 /nfs/dbraw/zinc/60/47/38/532604738.db2.gz DRVWFXSICRCDQE-GFCCVEGCSA-N 1 0 381.523 2.497 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@H]1C ZINC000262906914 532606081 /nfs/dbraw/zinc/60/60/81/532606081.db2.gz YETSIJHHILURSY-AVGNSLFASA-N 1 0 380.286 2.011 20 0 GEADRO Cc1nccn1CCNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000297748625 532607370 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CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000297862677 532610349 /nfs/dbraw/zinc/61/03/49/532610349.db2.gz NFJOCTGCPFEWFX-CQSZACIVSA-N 1 0 396.329 2.208 20 0 GEADRO COc1ccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(I)c1 ZINC000435238899 532611068 /nfs/dbraw/zinc/61/10/68/532611068.db2.gz HTCPQGJAFBMSRA-NSHDSACASA-N 1 0 386.233 2.266 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435229402 532611179 /nfs/dbraw/zinc/61/11/79/532611179.db2.gz HHONAEZNJNALGE-OCCSQVGLSA-N 1 0 392.297 2.155 20 0 GEADRO CCOc1cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc(Br)c1O ZINC000656274122 532611205 /nfs/dbraw/zinc/61/12/05/532611205.db2.gz BCXVIUQTGYVABB-LLVKDONJSA-N 1 0 381.274 2.329 20 0 GEADRO C[C@]1(CO)CN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@@]1(C)CO ZINC000529667993 532611442 /nfs/dbraw/zinc/61/14/42/532611442.db2.gz CRQZEFMYYFERHC-CALCHBBNSA-N 1 0 385.295 2.387 20 0 GEADRO O=C(Cn1cc(Br)cn1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474310543 532612052 /nfs/dbraw/zinc/61/20/52/532612052.db2.gz KQRLZBSHFHGFAM-SWLSCSKDSA-N 1 0 399.239 2.186 20 0 GEADRO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435246080 532612142 /nfs/dbraw/zinc/61/21/42/532612142.db2.gz PKMMLRWEVVULTM-HOTGVXAUSA-N 1 0 392.297 2.155 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656307397 532612472 /nfs/dbraw/zinc/61/24/72/532612472.db2.gz RSPWZRIFVNEDNP-OTVXOJSOSA-N 1 0 396.329 2.139 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000656298872 532612675 /nfs/dbraw/zinc/61/26/75/532612675.db2.gz SWHPIAPXSTYIEU-LSDHHAIUSA-N 1 0 394.313 2.117 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474335456 532613450 /nfs/dbraw/zinc/61/34/50/532613450.db2.gz ZIOUUOSKLVWDLK-WFASDCNBSA-N 1 0 390.311 2.437 20 0 GEADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1oc2ccccc2c1Br ZINC000656613570 532622966 /nfs/dbraw/zinc/62/29/66/532622966.db2.gz YZDWPYRMBFEDFR-MRXNPFEDSA-N 1 0 378.226 2.369 20 0 GEADRO CN(CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435621245 532623125 /nfs/dbraw/zinc/62/31/25/532623125.db2.gz JXQGUNKPFJYYGC-AWEZNQCLSA-N 1 0 375.332 2.297 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376657468 532623564 /nfs/dbraw/zinc/62/35/64/532623564.db2.gz VUOQLOOSTIWJCG-RYUDHWBXSA-N 1 0 382.555 2.108 20 0 GEADRO C[N@H+](CCN1CCCC1=O)Cc1ccc(Br)cc1N1CCOCC1 ZINC000530499793 532623937 /nfs/dbraw/zinc/62/39/37/532623937.db2.gz BZVQWMDBMGQCKD-UHFFFAOYSA-N 1 0 396.329 2.340 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ncsc2Br)C1 ZINC000632545568 532623970 /nfs/dbraw/zinc/62/39/70/532623970.db2.gz FGXAMBKZYVTNRR-SECBINFHSA-N 1 0 382.349 2.198 20 0 GEADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376687692 532624030 /nfs/dbraw/zinc/62/40/30/532624030.db2.gz IGXAQIBAEZMDED-SWLSCSKDSA-N 1 0 375.270 2.459 20 0 GEADRO C[C@@H](NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000474670051 532624708 /nfs/dbraw/zinc/62/47/08/532624708.db2.gz FPJPUGZIDMLATD-BXUZGUMPSA-N 1 0 399.333 2.251 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)C1 ZINC000376681258 532625313 /nfs/dbraw/zinc/62/53/13/532625313.db2.gz PVPHKVNNQHLFOT-LBPRGKRZSA-N 1 0 382.555 2.061 20 0 GEADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(I)cn1)C2 ZINC000597710913 532625530 /nfs/dbraw/zinc/62/55/30/532625530.db2.gz QDCGAZNXUDVQLQ-HNNXBMFYSA-N 1 0 385.249 2.244 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC(C[NH+](C)C)C1 ZINC000597708911 532625946 /nfs/dbraw/zinc/62/59/46/532625946.db2.gz QRUGHZSAEGEAQE-MRXNPFEDSA-N 1 0 383.945 2.212 20 0 GEADRO O=S(=O)(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cscn1 ZINC000566735131 532626089 /nfs/dbraw/zinc/62/60/89/532626089.db2.gz LZBDTFNJRVNDTJ-UHFFFAOYSA-N 1 0 380.539 2.024 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(Cc3nc(-c4cc(Br)cs4)no3)[C@@H]2C1 ZINC000284855369 532626220 /nfs/dbraw/zinc/62/62/20/532626220.db2.gz OSKMRRDBRHQQKO-VXGBXAGGSA-N 1 0 399.314 2.466 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)[C@H](C)c1ccc(Cl)cc1 ZINC000474711373 532626363 /nfs/dbraw/zinc/62/63/63/532626363.db2.gz HUJQEQMIYHAEAS-LJISPDSOSA-N 1 0 386.945 2.361 20 0 GEADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cncc(I)c1)C2 ZINC000597710142 532626388 /nfs/dbraw/zinc/62/63/88/532626388.db2.gz HYDHMBJMEOSHNO-OAHLLOKOSA-N 1 0 385.249 2.244 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cc(F)c(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000298115871 532626737 /nfs/dbraw/zinc/62/67/37/532626737.db2.gz ZCLGFSJIVACRRF-LLVKDONJSA-N 1 0 394.871 2.199 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CCSC1 ZINC000436205088 532629981 /nfs/dbraw/zinc/62/99/81/532629981.db2.gz CWXVMYYECCYMSD-AEGPPILISA-N 1 0 383.480 2.207 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ncccc3Br)CC2)CC1 ZINC000476666861 532646155 /nfs/dbraw/zinc/64/61/55/532646155.db2.gz WPPDKBZXCITBOM-UHFFFAOYSA-N 1 0 395.345 2.334 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Br)C[C@@H]1O ZINC000566923688 532630734 /nfs/dbraw/zinc/63/07/34/532630734.db2.gz JJKOTRIUHVAQNU-RYUDHWBXSA-N 1 0 381.192 2.215 20 0 GEADRO C[C@H](O)C[NH+]1CCN(Cc2c(F)ccc(I)c2F)CC1 ZINC000474932201 532633164 /nfs/dbraw/zinc/63/31/64/532633164.db2.gz JSAPSFHEQAIDEX-JTQLQIEISA-N 1 0 396.219 2.068 20 0 GEADRO CSCC[C@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000566973551 532634347 /nfs/dbraw/zinc/63/43/47/532634347.db2.gz DJXJTXYPHJLFJP-OLZOCXBDSA-N 1 0 382.295 2.032 20 0 GEADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)CC1 ZINC000632658671 532635359 /nfs/dbraw/zinc/63/53/59/532635359.db2.gz BHMZPAOFLDPFAJ-UHFFFAOYSA-N 1 0 385.921 2.186 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000656874186 532635644 /nfs/dbraw/zinc/63/56/44/532635644.db2.gz RKTJMBLYORYKHJ-UHFFFAOYSA-N 1 0 395.294 2.312 20 0 GEADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ncc(Br)s2)cn1 ZINC000475043716 532636104 /nfs/dbraw/zinc/63/61/04/532636104.db2.gz DLINXPXVKNVOGG-RYUDHWBXSA-N 1 0 388.310 2.341 20 0 GEADRO O=C(C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1)NC1CC1 ZINC000263715203 532636414 /nfs/dbraw/zinc/63/64/14/532636414.db2.gz NVECZEGMSUZNPZ-UHFFFAOYSA-N 1 0 380.286 2.378 20 0 GEADRO C[C@@H](CNS(=O)(=O)Cc1cc(F)ccc1Br)[NH+]1CCCC1 ZINC000656873458 532636315 /nfs/dbraw/zinc/63/63/15/532636315.db2.gz AMWRHGDOIPUSBR-NSHDSACASA-N 1 0 379.295 2.492 20 0 GEADRO CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000567031347 532636584 /nfs/dbraw/zinc/63/65/84/532636584.db2.gz HIQXFUIDCCQEAJ-AWEZNQCLSA-N 1 0 385.917 2.200 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)NCCc2cccc(Br)c2)CC1 ZINC000567218428 532646342 /nfs/dbraw/zinc/64/63/42/532646342.db2.gz LQYSETLZGYDEAD-UHFFFAOYSA-N 1 0 397.361 2.318 20 0 GEADRO CNS(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000475091795 532637365 /nfs/dbraw/zinc/63/73/65/532637365.db2.gz SYHRAGTZLUJQOE-UHFFFAOYSA-N 1 0 375.210 2.107 20 0 GEADRO C[C@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000263727685 532637955 /nfs/dbraw/zinc/63/79/55/532637955.db2.gz GIHKDPIBFMAHOU-CQSZACIVSA-N 1 0 382.346 2.479 20 0 GEADRO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3N3CCOCC3)C[C@@H]12 ZINC000475111024 532638093 /nfs/dbraw/zinc/63/80/93/532638093.db2.gz PEKJWAWICILCLM-FDQGKXFDSA-N 1 0 381.314 2.488 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000377049344 532638248 /nfs/dbraw/zinc/63/82/48/532638248.db2.gz XWVGCTARWMLWFF-HNNXBMFYSA-N 1 0 384.322 2.306 20 0 GEADRO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3N3CCOCC3)C[C@@H]12 ZINC000475111287 532638274 /nfs/dbraw/zinc/63/82/74/532638274.db2.gz PEKJWAWICILCLM-MZMPZRCHSA-N 1 0 381.314 2.488 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)Cc1cc(F)ccc1Cl)N1CC[NH+](C)CC1 ZINC000656918113 532646418 /nfs/dbraw/zinc/64/64/18/532646418.db2.gz MOSHUVLSYDQSJJ-KRWDZBQOSA-N 1 0 391.940 2.171 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000475168208 532639961 /nfs/dbraw/zinc/63/99/61/532639961.db2.gz SRVUBKVATGZPSK-UHFFFAOYSA-N 1 0 384.249 2.213 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N(C)Cc1cc(Br)ccc1OC ZINC000263768039 532640275 /nfs/dbraw/zinc/64/02/75/532640275.db2.gz MMUZYXORWGWPTL-UHFFFAOYSA-N 1 0 388.306 2.177 20 0 GEADRO O=S(=O)(c1ncccc1Br)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000632722838 532640601 /nfs/dbraw/zinc/64/06/01/532640601.db2.gz YULYICJXFBMUOD-UHFFFAOYSA-N 1 0 397.298 2.140 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)Nc3cc(Br)ccn3)CC2)CC1 ZINC000285020990 532640727 /nfs/dbraw/zinc/64/07/27/532640727.db2.gz HNMYFUQLNTXHSW-UHFFFAOYSA-N 1 0 396.333 2.335 20 0 GEADRO COc1ccc(CCC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1Br ZINC000263817344 532641638 /nfs/dbraw/zinc/64/16/38/532641638.db2.gz YRNRXRDFVJYXOQ-CQSZACIVSA-N 1 0 398.345 2.142 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000475614401 532642022 /nfs/dbraw/zinc/64/20/22/532642022.db2.gz VUDQGGFATALBLJ-GFCCVEGCSA-N 1 0 384.318 2.462 20 0 GEADRO C[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)[C@@H](C)C[NH2+]1 ZINC000567164490 532643192 /nfs/dbraw/zinc/64/31/92/532643192.db2.gz JZSBHTSDOJADAB-SFYZADRCSA-N 1 0 377.080 2.429 20 0 GEADRO Cn1cc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)c(=O)n(C)c1=O ZINC000263838235 532643354 /nfs/dbraw/zinc/64/33/54/532643354.db2.gz XOXKBDGDGBDXIX-UHFFFAOYSA-N 1 0 392.297 2.406 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CCSC1 ZINC000532061602 532644957 /nfs/dbraw/zinc/64/49/57/532644957.db2.gz ZSSQVBYNSXGWGX-DYVFJYSZSA-N 1 0 383.949 2.050 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CCSC1 ZINC000532061603 532645273 /nfs/dbraw/zinc/64/52/73/532645273.db2.gz ZSSQVBYNSXGWGX-GUYCJALGSA-N 1 0 383.949 2.050 20 0 GEADRO CC(C)Nc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000263278497 532622428 /nfs/dbraw/zinc/62/24/28/532622428.db2.gz ZGVHNLLYGCJRBK-HNNXBMFYSA-N 1 0 385.306 2.307 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000377561255 532660655 /nfs/dbraw/zinc/66/06/55/532660655.db2.gz CRBAIVCIJMPQDN-CVEARBPZSA-N 1 0 385.277 2.188 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000298578465 532661626 /nfs/dbraw/zinc/66/16/26/532661626.db2.gz CSQIIUXRKCKKCN-CABCVRRESA-N 1 0 380.286 2.439 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CSCCS3)cc2)C1 ZINC000264097904 532661723 /nfs/dbraw/zinc/66/17/23/532661723.db2.gz KJKUICABMUYWPM-ZBFHGGJFSA-N 1 0 379.551 2.171 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000437724377 532661768 /nfs/dbraw/zinc/66/17/68/532661768.db2.gz UOXDZCNQXUMSMN-OWCLPIDISA-N 1 0 382.302 2.325 20 0 GEADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000533175406 532663117 /nfs/dbraw/zinc/66/31/17/532663117.db2.gz UYXJEXWKQJAEJF-UHFFFAOYSA-N 1 0 375.922 2.247 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1cc(Br)c2nccn2c1 ZINC000633213825 532663140 /nfs/dbraw/zinc/66/31/40/532663140.db2.gz XJGIDCLEEJMGNT-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO CN(C(=O)c1ccc(Br)cn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377638130 532665501 /nfs/dbraw/zinc/66/55/01/532665501.db2.gz ATWFDGITOJXOKS-HNNXBMFYSA-N 1 0 381.318 2.085 20 0 GEADRO CCS[C@@H]1CCCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000481060053 532665774 /nfs/dbraw/zinc/66/57/74/532665774.db2.gz PMHLMONISQKDNA-OAHLLOKOSA-N 1 0 385.555 2.270 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000264190838 532666224 /nfs/dbraw/zinc/66/62/24/532666224.db2.gz MLDVWFBZYOWQOD-UKRRQHHQSA-N 1 0 389.880 2.343 20 0 GEADRO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000599573833 532666824 /nfs/dbraw/zinc/66/68/24/532666824.db2.gz ZOAZOLASTKUVKZ-CYBMUJFWSA-N 1 0 384.274 2.440 20 0 GEADRO COC(=O)c1sc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nc1Cl ZINC000377698602 532667111 /nfs/dbraw/zinc/66/71/11/532667111.db2.gz HXYOGZRWMSFESN-CMPLNLGQSA-N 1 0 383.905 2.812 20 0 GEADRO CC[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481655324 532667875 /nfs/dbraw/zinc/66/78/75/532667875.db2.gz KEDIGRXPCKWLLL-SMDDNHRTSA-N 1 0 396.962 2.112 20 0 GEADRO CC[NH+]1CCN(c2ccccc2NC(=O)Cn2cc(Br)cn2)CC1 ZINC000298703383 532668466 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391.917 2.110 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000263930441 532649601 /nfs/dbraw/zinc/64/96/01/532649601.db2.gz UPXDJPHFCQZJNA-WDEREUQCSA-N 1 0 388.331 2.182 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000477369123 532650303 /nfs/dbraw/zinc/65/03/03/532650303.db2.gz ZWQJBIBVEXEDSL-LBPRGKRZSA-N 1 0 380.286 2.012 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000477372429 532650417 /nfs/dbraw/zinc/65/04/17/532650417.db2.gz KEGOESKMWFNXFC-CYBMUJFWSA-N 1 0 397.313 2.314 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C[C@H]1C[NH3+] ZINC000632935043 532651472 /nfs/dbraw/zinc/65/14/72/532651472.db2.gz NIFLPIUAABQKCO-GHMZBOCLSA-N 1 0 379.262 2.088 20 0 GEADRO CC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649359 532668875 /nfs/dbraw/zinc/66/88/75/532668875.db2.gz DKZMPQVIGFJIJE-WJFWATLMSA-N 1 0 380.963 2.446 20 0 GEADRO O=C(NCc1cc(F)ccc1Br)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000567375607 532652499 /nfs/dbraw/zinc/65/24/99/532652499.db2.gz WWICMHDYNKQXPJ-LBPRGKRZSA-N 1 0 382.237 2.034 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1c(F)cc(Br)cc1F ZINC000298497271 532654946 /nfs/dbraw/zinc/65/49/46/532654946.db2.gz GNWMCIJGSDJDTO-NSHDSACASA-N 1 0 377.229 2.304 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656992457 532655068 /nfs/dbraw/zinc/65/50/68/532655068.db2.gz RYEXUKDZACZEAI-ZDUSSCGKSA-N 1 0 387.571 2.051 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)CC(C)(C)C(F)(F)CC)C2)CC1 ZINC000599232911 532655203 /nfs/dbraw/zinc/65/52/03/532655203.db2.gz PQVMRMPUFMIBLO-OAHLLOKOSA-N 1 0 381.533 2.100 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)ccc1Br ZINC000633005302 532655373 /nfs/dbraw/zinc/65/53/73/532655373.db2.gz AFUCJGWKXINHBC-CYBMUJFWSA-N 1 0 398.301 2.433 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@H](C)CCC[NH3+])ccc1Br ZINC000633003318 532655497 /nfs/dbraw/zinc/65/54/97/532655497.db2.gz REJFZXAPUHZEGT-LLVKDONJSA-N 1 0 386.290 2.418 20 0 GEADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1ncccc1Br ZINC000656996902 532655704 /nfs/dbraw/zinc/65/57/04/532655704.db2.gz JHJGVRSPUHRGHT-UHFFFAOYSA-N 1 0 376.320 2.389 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)ccc1Br ZINC000633004546 532655770 /nfs/dbraw/zinc/65/57/70/532655770.db2.gz FABDFRBQFZLEST-LBPRGKRZSA-N 1 0 398.301 2.433 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656994257 532656336 /nfs/dbraw/zinc/65/63/36/532656336.db2.gz RCJVPHDMORDXCP-UHFFFAOYSA-N 1 0 379.929 2.124 20 0 GEADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000567497230 532657171 /nfs/dbraw/zinc/65/71/71/532657171.db2.gz MNHBXUIDDYDVJZ-IUODEOHRSA-N 1 0 382.302 2.203 20 0 GEADRO CS(=O)(=O)C[C@@H]1CCCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000298545034 532657807 /nfs/dbraw/zinc/65/78/07/532657807.db2.gz CFZBOOLNNJBNHC-DOMZBBRYSA-N 1 0 376.316 2.239 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000568605767 532683824 /nfs/dbraw/zinc/68/38/24/532683824.db2.gz MQHTVQGEKVYRAZ-INIZCTEOSA-N 1 0 386.905 2.319 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000378219696 532684118 /nfs/dbraw/zinc/68/41/18/532684118.db2.gz BCQUSDLFOWAOEP-WBMJQRKESA-N 1 0 386.901 2.279 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000264931657 532684241 /nfs/dbraw/zinc/68/42/41/532684241.db2.gz SPSQRAIDPCJGSX-VHSXEESVSA-N 1 0 376.320 2.085 20 0 GEADRO NS(=O)(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000638177563 532684687 /nfs/dbraw/zinc/68/46/87/532684687.db2.gz BYVVXUVOLYAPFD-YOEHRIQHSA-N 1 0 383.945 2.436 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H]1[NH+](C)C ZINC000535622306 532684956 /nfs/dbraw/zinc/68/49/56/532684956.db2.gz WAKRKSADFKKYBV-NWDGAFQWSA-N 1 0 397.335 2.254 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000638200998 532685367 /nfs/dbraw/zinc/68/53/67/532685367.db2.gz UNBJZFWMEFNVFV-OAGGEKHMSA-N 1 0 394.313 2.326 20 0 GEADRO O=C(c1ccc(OC(F)(F)F)c(Cl)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638227738 532686001 /nfs/dbraw/zinc/68/60/01/532686001.db2.gz AKQKEHGPBVZMNB-GFCCVEGCSA-N 1 0 377.794 2.358 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[NH+](C3CCC3)CC2)C(F)(F)F)n1 ZINC000265003644 532686318 /nfs/dbraw/zinc/68/63/18/532686318.db2.gz TUQAEMHITWIXGH-OAHLLOKOSA-N 1 0 377.432 2.288 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000534291365 532670954 /nfs/dbraw/zinc/67/09/54/532670954.db2.gz VPXMLCJXYWWXNN-STQMWFEESA-N 1 0 379.302 2.372 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CCC1 ZINC000438521143 532672216 /nfs/dbraw/zinc/67/22/16/532672216.db2.gz ZKZSHHQFJJGBCG-ZDUSSCGKSA-N 1 0 394.313 2.403 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000482522885 532672493 /nfs/dbraw/zinc/67/24/93/532672493.db2.gz LGRIWNLSIOJKGY-NSHDSACASA-N 1 0 387.502 2.185 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000568241185 532673173 /nfs/dbraw/zinc/67/31/73/532673173.db2.gz DHPWVYNDAJNUJL-UHFFFAOYSA-N 1 0 396.329 2.363 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(Br)cc2)C1 ZINC000482525713 532673359 /nfs/dbraw/zinc/67/33/59/532673359.db2.gz CQJGZOQFHSWYKV-OAHLLOKOSA-N 1 0 396.329 2.085 20 0 GEADRO COc1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Br ZINC000377948532 532673517 /nfs/dbraw/zinc/67/35/17/532673517.db2.gz SQEXWZYZLJGAPG-QWHCGFSZSA-N 1 0 384.274 2.442 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000264422807 532673731 /nfs/dbraw/zinc/67/37/31/532673731.db2.gz KLUIPLPKICJXGH-CQSZACIVSA-N 1 0 380.330 2.233 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000264447454 532674395 /nfs/dbraw/zinc/67/43/95/532674395.db2.gz CNCLRTAXHMCTCE-OAHLLOKOSA-N 1 0 393.285 2.000 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000264447450 532674685 /nfs/dbraw/zinc/67/46/85/532674685.db2.gz CNCLRTAXHMCTCE-HNNXBMFYSA-N 1 0 393.285 2.000 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438711566 532675281 /nfs/dbraw/zinc/67/52/81/532675281.db2.gz PCHNQFUGVGAKHR-UHFFFAOYSA-N 1 0 380.290 2.871 20 0 GEADRO O=c1cc(C[N@H+](C2CC2)C2(CO)CCC2)nc2ccc(Br)cn12 ZINC000660774565 532675409 /nfs/dbraw/zinc/67/54/09/532675409.db2.gz XRLFNGZVFQDKCF-UHFFFAOYSA-N 1 0 378.270 2.336 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264472253 532676156 /nfs/dbraw/zinc/67/61/56/532676156.db2.gz LOLRMHZKKYMNJV-MRXNPFEDSA-N 1 0 394.313 2.266 20 0 GEADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000378012144 532676483 /nfs/dbraw/zinc/67/64/83/532676483.db2.gz JXZIZANBRZPDET-DTWKUNHWSA-N 1 0 397.697 2.472 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000264472104 532676703 /nfs/dbraw/zinc/67/67/03/532676703.db2.gz UPXCQBUOLASDMV-CABCVRRESA-N 1 0 398.345 2.277 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000637630663 532678525 /nfs/dbraw/zinc/67/85/25/532678525.db2.gz 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532680063 /nfs/dbraw/zinc/68/00/63/532680063.db2.gz ORCRGUODFHWKJD-CYBMUJFWSA-N 1 0 383.480 2.351 20 0 GEADRO NS(=O)(=O)c1cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)ccc1Cl ZINC000638079623 532680145 /nfs/dbraw/zinc/68/01/45/532680145.db2.gz GJMYRAZOLSJWLR-KRWDZBQOSA-N 1 0 380.897 2.469 20 0 GEADRO COC(=O)[C@H](C)CS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000378091550 532680311 /nfs/dbraw/zinc/68/03/11/532680311.db2.gz LVPJBUQOMFRYRX-XPKDYRNWSA-N 1 0 388.917 2.061 20 0 GEADRO Cn1c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)nc2cc(Cl)ccc21 ZINC000285443790 532680400 /nfs/dbraw/zinc/68/04/00/532680400.db2.gz INBSKPFNKGYWCD-TZMCWYRMSA-N 1 0 384.933 2.424 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(Br)c1 ZINC000439243535 532686806 /nfs/dbraw/zinc/68/68/06/532686806.db2.gz CXLXFCDPUQOKPA-KGLIPLIRSA-N 1 0 377.279 2.493 20 0 GEADRO [NH3+]CCc1nc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cs1 ZINC000568512794 532680480 /nfs/dbraw/zinc/68/04/80/532680480.db2.gz LIEBNCPQICDSSI-SNVBAGLBSA-N 1 0 386.246 2.409 20 0 GEADRO [NH3+]C[C@]1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CCCOC1 ZINC000638080725 532680682 /nfs/dbraw/zinc/68/06/82/532680682.db2.gz DHGBZDUTOWYAGU-RDTXWAMCSA-N 1 0 396.329 2.147 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCn1cc(Br)cn1 ZINC000484545403 532681401 /nfs/dbraw/zinc/68/14/01/532681401.db2.gz RJSVHFKDXYQRIX-ZIAGYGMSSA-N 1 0 386.338 2.455 20 0 GEADRO CCC[NH2+]CCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638148616 532681966 /nfs/dbraw/zinc/68/19/66/532681966.db2.gz XUTFRZYVKXKDOR-OAHLLOKOSA-N 1 0 382.302 2.056 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000485557252 532686834 /nfs/dbraw/zinc/68/68/34/532686834.db2.gz HXOFPYJZGLSUFI-TZMCWYRMSA-N 1 0 382.302 2.422 20 0 GEADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000638122909 532682052 /nfs/dbraw/zinc/68/20/52/532682052.db2.gz MRNLNXRRMDKOOM-HZMBPMFUSA-N 1 0 381.782 2.016 20 0 GEADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc3c(s2)CCS(=O)(=O)C3)C1 ZINC000378135860 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COCC[NH+](CCOC)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000285669684 532697961 /nfs/dbraw/zinc/69/79/61/532697961.db2.gz QHLFWEMSSSEOKF-UHFFFAOYSA-N 1 0 390.933 2.088 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000439586329 532697998 /nfs/dbraw/zinc/69/79/98/532697998.db2.gz HZGXKKKSWZETBU-ZDUSSCGKSA-N 1 0 396.285 2.091 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000640870500 532698525 /nfs/dbraw/zinc/69/85/25/532698525.db2.gz ZVXCRQSETQJYQQ-SDNTUTLCSA-N 1 0 397.313 2.320 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000439596317 532699023 /nfs/dbraw/zinc/69/90/23/532699023.db2.gz ZDHQCHJKGYZUSJ-AWEZNQCLSA-N 1 0 380.286 2.391 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000265919560 532699408 /nfs/dbraw/zinc/69/94/08/532699408.db2.gz CWOMCPYBHMGROC-AWEZNQCLSA-N 1 0 395.345 2.026 20 0 GEADRO CCCN(CC1CC1)S(=O)(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000604411324 532699965 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COc1cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(Br)c1 ZINC000641595354 532701754 /nfs/dbraw/zinc/70/17/54/532701754.db2.gz YPZXAVBPVPUKLV-YHWZYXNKSA-N 1 0 397.317 2.348 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000486127468 532688235 /nfs/dbraw/zinc/68/82/35/532688235.db2.gz VLOKLDFGGYFBGX-UHFFFAOYSA-N 1 0 396.285 2.353 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000285542034 532688957 /nfs/dbraw/zinc/68/89/57/532688957.db2.gz QBFFFSGTNYHNMD-ZDUSSCGKSA-N 1 0 383.286 2.441 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)C[C@H]1[NH+](C)C ZINC000378307309 532689197 /nfs/dbraw/zinc/68/91/97/532689197.db2.gz FZCKHIDNOZLCSP-SMKXDYDZSA-N 1 0 381.567 2.162 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000439358041 532689848 /nfs/dbraw/zinc/68/98/48/532689848.db2.gz MRZARZFNDSTIMM-LBPRGKRZSA-N 1 0 398.301 2.257 20 0 GEADRO O=C(COc1ccccc1Br)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000378312918 532690468 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COc1ccc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1Br ZINC000387507882 532704808 /nfs/dbraw/zinc/70/48/08/532704808.db2.gz UTRUWBRBPSKDJQ-LLVKDONJSA-N 1 0 379.320 2.465 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C[C@@H]1[NH3+] ZINC000666869548 532704834 /nfs/dbraw/zinc/70/48/34/532704834.db2.gz XXGQBWMXFKJHJL-AAEUAGOBSA-N 1 0 383.290 2.097 20 0 GEADRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000440092566 532706336 /nfs/dbraw/zinc/70/63/36/532706336.db2.gz POUYFDCLZKILQR-LBPRGKRZSA-N 1 0 383.436 2.277 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000666923829 532706601 /nfs/dbraw/zinc/70/66/01/532706601.db2.gz SRRBBPOQWCFVCJ-NVXWUHKLSA-N 1 0 398.345 2.384 20 0 GEADRO COC(=O)C1(CS(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCCCC1 ZINC000489522234 532707008 /nfs/dbraw/zinc/70/70/08/532707008.db2.gz YQDIPOCSOSOOFG-OAHLLOKOSA-N 1 0 376.563 2.396 20 0 GEADRO CCCS(=O)(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000608028838 532707236 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C[NH+]1CCC2(CC1)CN(CC(=O)Nc1ccccc1Br)CCO2 ZINC000646104450 532723784 /nfs/dbraw/zinc/72/37/84/532723784.db2.gz NDORMKVNMKDFGR-UHFFFAOYSA-N 1 0 382.302 2.184 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000440862344 532723956 /nfs/dbraw/zinc/72/39/56/532723956.db2.gz OGWTXROMCGXENY-FPMFFAJLSA-N 1 0 376.906 2.302 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000285994259 532724543 /nfs/dbraw/zinc/72/45/43/532724543.db2.gz IHODZUGXAXJTKJ-GPCCPHFNSA-N 1 0 388.331 2.085 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c(Cl)c1Cl ZINC000440864308 532724558 /nfs/dbraw/zinc/72/45/58/532724558.db2.gz WGWBJTCAGKFETA-ZJUUUORDSA-N 1 0 383.297 2.129 20 0 GEADRO COc1cc(CNC(=O)N2CCC[N@H+](C)CC2)cc(Br)c1OC ZINC000299521911 532724713 /nfs/dbraw/zinc/72/47/13/532724713.db2.gz QEPBVLKKRJNHEL-UHFFFAOYSA-N 1 0 386.290 2.313 20 0 GEADRO COC(=O)C(C)(C)CC[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000576147879 532725028 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C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)COc1cccc(Br)c1 ZINC000499935188 532729591 /nfs/dbraw/zinc/72/95/91/532729591.db2.gz XXEWDICTKUAWIO-MRXNPFEDSA-N 1 0 385.302 2.397 20 0 GEADRO Cc1cc(Br)ccc1SCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286128260 532730058 /nfs/dbraw/zinc/73/00/58/532730058.db2.gz OTOXJUHEDUUZJE-HNNXBMFYSA-N 1 0 398.370 2.356 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000577055265 532730421 /nfs/dbraw/zinc/73/04/21/532730421.db2.gz XIQKIUAAPCWJLH-MGPQQGTHSA-N 1 0 394.313 2.436 20 0 GEADRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2nn(C)cc2Br)CC1 ZINC000577056328 532730946 /nfs/dbraw/zinc/73/09/46/532730946.db2.gz AOMQBJXTYNXKAV-UHFFFAOYSA-N 1 0 392.301 2.419 20 0 GEADRO COc1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1Br ZINC000266977542 532731160 /nfs/dbraw/zinc/73/11/60/532731160.db2.gz SNSNJMRHKWHKKS-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC)cc2Br)C1 ZINC000442576797 532731980 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CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000615066370 532744915 /nfs/dbraw/zinc/74/49/15/532744915.db2.gz ATSMQROUKUXANT-LBPRGKRZSA-N 1 0 395.305 2.275 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000503234926 532744990 /nfs/dbraw/zinc/74/49/90/532744990.db2.gz VYXLRPOOXMBTDW-KBPBESRZSA-N 1 0 398.472 2.294 20 0 GEADRO COc1ccc(Cl)cc1CS(=O)(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000503243322 532745106 /nfs/dbraw/zinc/74/51/06/532745106.db2.gz HAILKZOSWCYKRH-HIFRSBDPSA-N 1 0 378.947 2.156 20 0 GEADRO CCn1cc(Br)c(=O)c(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)c1 ZINC000540845739 532745367 /nfs/dbraw/zinc/74/53/67/532745367.db2.gz IRHIQCAGRVPTMM-OAHLLOKOSA-N 1 0 398.301 2.213 20 0 GEADRO C[C@H](NC(=O)C1([NH+](C)C)CC1)c1ccc(Br)cc1OCCCO ZINC000615114700 532746275 /nfs/dbraw/zinc/74/62/75/532746275.db2.gz KTHGIEJTUCJWTI-LBPRGKRZSA-N 1 0 385.302 2.482 20 0 GEADRO CC(C)[NH+](CCN(C)c1ncc(Br)cc1S(N)(=O)=O)C(C)C ZINC000503285155 532746431 /nfs/dbraw/zinc/74/64/31/532746431.db2.gz WRPIMZPSPRAMJE-UHFFFAOYSA-N 1 0 393.351 2.047 20 0 GEADRO COc1ncc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1Br ZINC000615083563 532746550 /nfs/dbraw/zinc/74/65/50/532746550.db2.gz JMAQSZVQTYWIOL-GFCCVEGCSA-N 1 0 398.301 2.178 20 0 GEADRO COC(=O)CCNC(=O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503406831 532747177 /nfs/dbraw/zinc/74/71/77/532747177.db2.gz NJFVKJBOBUODJM-UHFFFAOYSA-N 1 0 383.286 2.308 20 0 GEADRO CCN(C(=O)C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000503405394 532747205 /nfs/dbraw/zinc/74/72/05/532747205.db2.gz IXUBWXYLKQBGTN-QANKJYHBSA-N 1 0 384.929 2.200 20 0 GEADRO Cn1cc(Br)cc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)c1=O ZINC000267615683 532747760 /nfs/dbraw/zinc/74/77/60/532747760.db2.gz XOABZWMCCOBRCU-UHFFFAOYSA-N 1 0 398.301 2.121 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC000577098065 532732984 /nfs/dbraw/zinc/73/29/84/532732984.db2.gz QJNGDZFTSMDPCV-INIZCTEOSA-N 1 0 383.897 2.281 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])ccc1Br ZINC000577109729 532733080 /nfs/dbraw/zinc/73/30/80/532733080.db2.gz LJDCXNTXBZMBKW-NSHDSACASA-N 1 0 377.304 2.350 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000442741497 532733628 /nfs/dbraw/zinc/73/36/28/532733628.db2.gz XEKUFTMFBGKPIZ-CYBMUJFWSA-N 1 0 377.432 2.453 20 0 GEADRO CS[C@H]1CN(C(=O)c2csc(-c3ncccn3)n2)C[C@H]1[NH+]1CCCC1 ZINC000614278284 532735619 /nfs/dbraw/zinc/73/56/19/532735619.db2.gz RJEGCLHMIDXNSZ-KGLIPLIRSA-N 1 0 375.523 2.252 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000410154089 532735725 /nfs/dbraw/zinc/73/57/25/532735725.db2.gz IFBFYXYJOBXWQL-LLVKDONJSA-N 1 0 379.320 2.217 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000410154090 532736099 /nfs/dbraw/zinc/73/60/99/532736099.db2.gz IFBFYXYJOBXWQL-NSHDSACASA-N 1 0 379.320 2.217 20 0 GEADRO COc1ncccc1CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000578500307 532737027 /nfs/dbraw/zinc/73/70/27/532737027.db2.gz VDFDYOUSHWEKJW-OAHLLOKOSA-N 1 0 381.270 2.425 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CCSC1 ZINC000267193233 532737473 /nfs/dbraw/zinc/73/74/73/532737473.db2.gz CRHDJZOGVASOPB-KBXCAEBGSA-N 1 0 381.567 2.296 20 0 GEADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442966831 532737565 /nfs/dbraw/zinc/73/75/65/532737565.db2.gz OPZKILFPPLDAIL-NSHDSACASA-N 1 0 393.912 2.040 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000578507969 532737750 /nfs/dbraw/zinc/73/77/50/532737750.db2.gz DVNYOUCQAASSHA-NSHDSACASA-N 1 0 397.913 2.149 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1(c2cc(F)cc(Br)c2)CC1 ZINC000614506436 532738042 /nfs/dbraw/zinc/73/80/42/532738042.db2.gz XPAGZMZDJFUIMF-INIZCTEOSA-N 1 0 396.304 2.126 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Cl)c(F)cc1Br ZINC000614504603 532738503 /nfs/dbraw/zinc/73/85/03/532738503.db2.gz VAZNEKNZEXIIKY-JTQLQIEISA-N 1 0 390.684 2.361 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1(Cc2ccccc2Br)CC1 ZINC000614505054 532739938 /nfs/dbraw/zinc/73/99/38/532739938.db2.gz IHYCOQPRNYOGEB-MRXNPFEDSA-N 1 0 392.341 2.278 20 0 GEADRO CSc1cc(Br)ccc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614515701 532739971 /nfs/dbraw/zinc/73/99/71/532739971.db2.gz ZAHXKNPVJKYDTB-ZDUSSCGKSA-N 1 0 384.343 2.291 20 0 GEADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(Cl)sc1Cl ZINC000675818986 532741008 /nfs/dbraw/zinc/74/10/08/532741008.db2.gz IOFRYROLQBFRHV-SNVBAGLBSA-N 1 0 386.370 2.283 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000443024803 532741121 /nfs/dbraw/zinc/74/11/21/532741121.db2.gz LGWZRNDMGPFACY-UHFFFAOYSA-N 1 0 386.539 2.421 20 0 GEADRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)Nc1ccccc1I ZINC000286346751 532741247 /nfs/dbraw/zinc/74/12/47/532741247.db2.gz XPJQFKUDACKOLP-AAEUAGOBSA-N 1 0 388.249 2.370 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000506737719 532754641 /nfs/dbraw/zinc/75/46/41/532754641.db2.gz KGXQBQLRGDOZRS-KGLIPLIRSA-N 1 0 383.334 2.397 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000617886141 532755461 /nfs/dbraw/zinc/75/54/61/532755461.db2.gz UTLFPJJNWXOWEN-LLVKDONJSA-N 1 0 375.416 2.490 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000618360900 532756755 /nfs/dbraw/zinc/75/67/55/532756755.db2.gz AMTUAEBERDQPNA-INIZCTEOSA-N 1 0 398.370 2.491 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000541672189 532757587 /nfs/dbraw/zinc/75/75/87/532757587.db2.gz AYNKYZFLXATPGU-UHFFFAOYSA-N 1 0 377.819 2.301 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1csc(I)c1 ZINC000541752736 532758146 /nfs/dbraw/zinc/75/81/46/532758146.db2.gz TVYGNVQJOXUHEY-UHFFFAOYSA-N 1 0 396.294 2.441 20 0 GEADRO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCc2c(Br)cccc2C1 ZINC000581878914 532758200 /nfs/dbraw/zinc/75/82/00/532758200.db2.gz ITZJQNGSBLNHLS-CYBMUJFWSA-N 1 0 390.285 2.164 20 0 GEADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000286644289 532759689 /nfs/dbraw/zinc/75/96/89/532759689.db2.gz DHVCQZQWMDKBEW-DGCLKSJQSA-N 1 0 393.285 2.261 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cc(F)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000268255403 532759804 /nfs/dbraw/zinc/75/98/04/532759804.db2.gz XVLYMNWQTRHFMI-HNNXBMFYSA-N 1 0 376.881 2.060 20 0 GEADRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(Br)ncc1Cl ZINC000286651223 532759933 /nfs/dbraw/zinc/75/99/33/532759933.db2.gz DQPUKRPCFFBNGC-WDEREUQCSA-N 1 0 388.693 2.433 20 0 GEADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000582601513 532760022 /nfs/dbraw/zinc/76/00/22/532760022.db2.gz NWWFJZCQLDYJOT-RGYTYGDFSA-N 1 0 387.293 2.400 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000541867316 532760133 /nfs/dbraw/zinc/76/01/33/532760133.db2.gz RETKKBQSICBLQN-JTQLQIEISA-N 1 0 395.294 2.217 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1c(C3CC3)nc3sccn13)CCO2 ZINC000541852632 532760174 /nfs/dbraw/zinc/76/01/74/532760174.db2.gz KWPMTVHGYLXUIC-GUYCJALGSA-N 1 0 381.523 2.099 20 0 GEADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C[C@@H](C)C1 ZINC000582611838 532760177 /nfs/dbraw/zinc/76/01/77/532760177.db2.gz KPZFPDDXWIVWLM-SCRDCRAPSA-N 1 0 382.302 2.281 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc(F)c1Br ZINC000411397073 532760308 /nfs/dbraw/zinc/76/03/08/532760308.db2.gz GROAHCYDDHUWHC-UHFFFAOYSA-N 1 0 386.265 2.389 20 0 GEADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)C1 ZINC000582605550 532760630 /nfs/dbraw/zinc/76/06/30/532760630.db2.gz DUYWRAYGXJGCBK-JTQLQIEISA-N 1 0 383.297 2.001 20 0 GEADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C[C@@H](C)C1 ZINC000582611839 532760771 /nfs/dbraw/zinc/76/07/71/532760771.db2.gz KPZFPDDXWIVWLM-SGMGOOAPSA-N 1 0 382.302 2.281 20 0 GEADRO Cc1cnc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000582781007 532761208 /nfs/dbraw/zinc/76/12/08/532761208.db2.gz PAQMDKYLDXWWQV-HNNXBMFYSA-N 1 0 384.249 2.259 20 0 GEADRO C[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000286683501 532761358 /nfs/dbraw/zinc/76/13/58/532761358.db2.gz HKFGGOVISHTAFS-XZJROXQQSA-N 1 0 377.286 2.445 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc(F)c1Br ZINC000411457105 532761883 /nfs/dbraw/zinc/76/18/83/532761883.db2.gz KQGCUWVGZQQROH-UHFFFAOYSA-N 1 0 384.249 2.142 20 0 GEADRO CCNC(=O)N1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000582781033 532762053 /nfs/dbraw/zinc/76/20/53/532762053.db2.gz PUZYAVIWXOXAQB-CQSZACIVSA-N 1 0 383.290 2.171 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000583047784 532762843 /nfs/dbraw/zinc/76/28/43/532762843.db2.gz YOOFFTVYNOHJCB-UHFFFAOYSA-N 1 0 382.357 2.296 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480997 532762955 /nfs/dbraw/zinc/76/29/55/532762955.db2.gz OBMKZTNEOHPDAW-HNNXBMFYSA-N 1 0 385.277 2.188 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000443501163 532748504 /nfs/dbraw/zinc/74/85/04/532748504.db2.gz OIGHGKYDFQLRQE-LBPRGKRZSA-N 1 0 382.507 2.403 20 0 GEADRO O=c1cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)nc2ccc(Br)cn12 ZINC000580511469 532749036 /nfs/dbraw/zinc/74/90/36/532749036.db2.gz VOOJBTIQTWMWLI-UHFFFAOYSA-N 1 0 387.237 2.116 20 0 GEADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000616091879 532749279 /nfs/dbraw/zinc/74/92/79/532749279.db2.gz HPFGYXUGEJTWAU-UHFFFAOYSA-N 1 0 387.571 2.368 20 0 GEADRO CSC1(CNC(=O)NCc2ccc(C[S@](C)=O)cc2)CC[NH+](C)CC1 ZINC000580505451 532749666 /nfs/dbraw/zinc/74/96/66/532749666.db2.gz UIPNXXUENXGEAD-VWLOTQADSA-N 1 0 383.583 2.192 20 0 GEADRO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000444691997 532750877 /nfs/dbraw/zinc/75/08/77/532750877.db2.gz KTBXJKXWVZECEI-AWEZNQCLSA-N 1 0 396.329 2.269 20 0 GEADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)s2)C1 ZINC000505910876 532751254 /nfs/dbraw/zinc/75/12/54/532751254.db2.gz DTQSVRGQWXXWFH-UONOGXRCSA-N 1 0 385.555 2.122 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000444703347 532751258 /nfs/dbraw/zinc/75/12/58/532751258.db2.gz SLVWZOIFIFTYQN-HNNXBMFYSA-N 1 0 387.318 2.283 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000267852724 532751370 /nfs/dbraw/zinc/75/13/70/532751370.db2.gz DXLGNVXXMQGWHA-CHWSQXEVSA-N 1 0 384.249 2.270 20 0 GEADRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1Cl ZINC000411246633 532751532 /nfs/dbraw/zinc/75/15/32/532751532.db2.gz NWCCDXJHVPYTRJ-JTQLQIEISA-N 1 0 388.693 2.417 20 0 GEADRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(I)cc2)[C@H](C)C1 ZINC000286530129 532752965 /nfs/dbraw/zinc/75/29/65/532752965.db2.gz NPZKTCPDUDTVAF-GFCCVEGCSA-N 1 0 387.265 2.256 20 0 GEADRO CC[C@H](C(=O)N(CCNC(C)=O)Cc1ccc(Br)s1)[NH+](C)C ZINC000506291233 532753300 /nfs/dbraw/zinc/75/33/00/532753300.db2.gz WULQCFZUAMNNQR-CYBMUJFWSA-N 1 0 390.347 2.316 20 0 GEADRO NS(=O)(=O)c1ccc(N2CCC([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000301536972 532753733 /nfs/dbraw/zinc/75/37/33/532753733.db2.gz RCNACAULJLEMHR-UHFFFAOYSA-N 1 0 377.432 2.417 20 0 GEADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCCOCC[NH+](C)C ZINC000541527943 532753868 /nfs/dbraw/zinc/75/38/68/532753868.db2.gz BDEMNQNUIQHTQS-CYBMUJFWSA-N 1 0 385.302 2.352 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000269018075 532774966 /nfs/dbraw/zinc/77/49/66/532774966.db2.gz PDOLVGWMRAUWHY-GOSISDBHSA-N 1 0 385.961 2.318 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN[C@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000411794825 532776127 /nfs/dbraw/zinc/77/61/27/532776127.db2.gz DHACFCKPNVTHPQ-GOSISDBHSA-N 1 0 388.339 2.391 20 0 GEADRO COc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc(OC)c1Br ZINC000303057699 532776678 /nfs/dbraw/zinc/77/66/78/532776678.db2.gz XDOWOPIKTUAYLV-UHFFFAOYSA-N 1 0 397.273 2.477 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000269167079 532776681 /nfs/dbraw/zinc/77/66/81/532776681.db2.gz FSVBGHADQRBXEY-CYBMUJFWSA-N 1 0 387.933 2.098 20 0 GEADRO CCn1c(C[NH2+][C@H]2CSC[C@H]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000512224844 532777082 /nfs/dbraw/zinc/77/70/82/532777082.db2.gz DAVLKQZFLCIPOJ-DOMZBBRYSA-N 1 0 382.555 2.148 20 0 GEADRO C[C@H](CC[NH3+])NS(=O)(=O)c1ccc(Br)cc1Br ZINC000310292584 532777668 /nfs/dbraw/zinc/77/76/68/532777668.db2.gz ZRLRZYFWLJMENG-SSDOTTSWSA-N 1 0 386.109 2.227 20 0 GEADRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000269246122 532777812 /nfs/dbraw/zinc/77/78/12/532777812.db2.gz ZMMRHJOACNTIIG-YGRLFVJLSA-N 1 0 378.274 2.148 20 0 GEADRO CN(C(=O)c1cc(I)ccc1O)[C@@H]1C[NH+]2CCC1CC2 ZINC000312717404 532778794 /nfs/dbraw/zinc/77/87/94/532778794.db2.gz RACCMSPGMAHBFV-CYBMUJFWSA-N 1 0 386.233 2.163 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(F)ccc1Br ZINC000542759859 532778832 /nfs/dbraw/zinc/77/88/32/532778832.db2.gz BFHNZGMQRWWKBK-UHFFFAOYSA-N 1 0 397.310 2.225 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000542758005 532779153 /nfs/dbraw/zinc/77/91/53/532779153.db2.gz UBFJUXSQVJHKNI-UHFFFAOYSA-N 1 0 393.347 2.227 20 0 GEADRO COC(=O)[C@@H]1CN(CCOc2cc(F)cc(Br)c2)CC[N@H+](C)C1 ZINC000411904283 532779541 /nfs/dbraw/zinc/77/95/41/532779541.db2.gz AQJVHHHMYNBDOP-LBPRGKRZSA-N 1 0 389.265 2.004 20 0 GEADRO Cn1c(Sc2ccc(S(=O)(=O)C(F)F)cc2)nnc1C1CC[NH2+]CC1 ZINC000301946434 532763451 /nfs/dbraw/zinc/76/34/51/532763451.db2.gz BZEVEUPKUFYOCD-UHFFFAOYSA-N 1 0 388.465 2.430 20 0 GEADRO COc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1 ZINC000620485205 532764214 /nfs/dbraw/zinc/76/42/14/532764214.db2.gz QRMIUCJSZYLOEE-ZDUSSCGKSA-N 1 0 383.286 2.129 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)/C=C/c2c(Cl)nc3sccn23)CC1 ZINC000268460195 532764811 /nfs/dbraw/zinc/76/48/11/532764811.db2.gz KGWXUDQJXNJNBN-ONEGZZNKSA-N 1 0 382.917 2.414 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)CCO1 ZINC000620971963 532765290 /nfs/dbraw/zinc/76/52/90/532765290.db2.gz UESVCERPRALQAC-GOEBONIOSA-N 1 0 397.313 2.494 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@]1(CO)CCOC1 ZINC000411510101 532765494 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532813761 /nfs/dbraw/zinc/81/37/61/532813761.db2.gz RWMLLNWLEGFDAT-NSHDSACASA-N 1 0 380.290 2.294 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272374407 532814754 /nfs/dbraw/zinc/81/47/54/532814754.db2.gz VITZTTIMTGSWQL-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cc4c(cc3Br)OCCO4)[C@H]2C1 ZINC000272468334 532815832 /nfs/dbraw/zinc/81/58/32/532815832.db2.gz LCJFMSMLXCOUEC-DOMZBBRYSA-N 1 0 395.297 2.315 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1Br ZINC000272460787 532816072 /nfs/dbraw/zinc/81/60/72/532816072.db2.gz RTGWELCHLARNHT-SMDDNHRTSA-N 1 0 389.315 2.172 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000288053247 532816120 /nfs/dbraw/zinc/81/61/20/532816120.db2.gz FIONRRZMKAQHQB-WFASDCNBSA-N 1 0 380.286 2.473 20 0 GEADRO CC(C)[C@@H](CNC(=O)Nc1ccncc1Br)[NH+]1CCN(C)CC1 ZINC000272682061 532816903 /nfs/dbraw/zinc/81/69/03/532816903.db2.gz NVEDBNUHTJGANR-OAHLLOKOSA-N 1 0 384.322 2.238 20 0 GEADRO COc1ccc(C[C@@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cn1 ZINC000414082877 532818852 /nfs/dbraw/zinc/81/88/52/532818852.db2.gz CPVVTSMGYPZPBI-GFCCVEGCSA-N 1 0 383.539 2.268 20 0 GEADRO C[NH+]1CCN(C[C@H](O)COc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000414137012 532819440 /nfs/dbraw/zinc/81/94/40/532819440.db2.gz FYXTZYWLPHXVFC-NSHDSACASA-N 1 0 397.235 2.455 20 0 GEADRO O=C1C[C@H](C[NH2+][C@@H]2CCCOc3ccc(I)cc32)CN1 ZINC000414184387 532819995 /nfs/dbraw/zinc/81/99/95/532819995.db2.gz BVIZBLDJOKJOEL-ZWNOBZJWSA-N 1 0 386.233 2.231 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000288182353 532820257 /nfs/dbraw/zinc/82/02/57/532820257.db2.gz XIBCUAOYOHZXPV-JTQLQIEISA-N 1 0 377.819 2.379 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCCCC1=O ZINC000414056139 532818034 /nfs/dbraw/zinc/81/80/34/532818034.db2.gz DEMFONSAPANOGG-CQSZACIVSA-N 1 0 384.318 2.382 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000288206001 532820766 /nfs/dbraw/zinc/82/07/66/532820766.db2.gz OJDBTDXDMIGYBL-SNVBAGLBSA-N 1 0 380.436 2.187 20 0 GEADRO C[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(F)cc1Br ZINC000414355399 532821621 /nfs/dbraw/zinc/82/16/21/532821621.db2.gz XERSEBPRJRKFAG-SNVBAGLBSA-N 1 0 384.253 2.410 20 0 GEADRO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000330597441 532821646 /nfs/dbraw/zinc/82/16/46/532821646.db2.gz CXQIWVWYOAWQNT-KGLIPLIRSA-N 1 0 391.331 2.408 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414355001 532821756 /nfs/dbraw/zinc/82/17/56/532821756.db2.gz WOZRRJOBSJFNEU-NSHDSACASA-N 1 0 398.280 2.280 20 0 GEADRO COc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330597443 532821983 /nfs/dbraw/zinc/82/19/83/532821983.db2.gz CXQIWVWYOAWQNT-UONOGXRCSA-N 1 0 391.331 2.408 20 0 GEADRO CC(C)([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)NCC1CCCC1 ZINC000414360984 532822150 /nfs/dbraw/zinc/82/21/50/532822150.db2.gz OSAQTIIKJVHFLC-UHFFFAOYSA-N 1 0 387.933 2.162 20 0 GEADRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1(C)C ZINC000414367744 532822178 /nfs/dbraw/zinc/82/21/78/532822178.db2.gz SGNDNDOMWZKBCT-DZGCQCFKSA-N 1 0 391.331 2.390 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000330611238 532822267 /nfs/dbraw/zinc/82/22/67/532822267.db2.gz PQGBGLUZPKAXOD-VXGBXAGGSA-N 1 0 394.324 2.382 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000330611237 532822342 /nfs/dbraw/zinc/82/23/42/532822342.db2.gz PQGBGLUZPKAXOD-RYUDHWBXSA-N 1 0 394.324 2.382 20 0 GEADRO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414367872 532822454 /nfs/dbraw/zinc/82/24/54/532822454.db2.gz RBRJEFFQIWJOMI-CQSZACIVSA-N 1 0 393.347 2.229 20 0 GEADRO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCCO1 ZINC000414366234 532822564 /nfs/dbraw/zinc/82/25/64/532822564.db2.gz NXVPNHWWIJLMFO-CHWSQXEVSA-N 1 0 377.304 2.144 20 0 GEADRO CCc1cc(N2CCC([NH2+]Cc3ccc(S(C)(=O)=O)s3)CC2)ncn1 ZINC000414359082 532822610 /nfs/dbraw/zinc/82/26/10/532822610.db2.gz CYESPRHVPOKALF-UHFFFAOYSA-N 1 0 380.539 2.263 20 0 GEADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000330621263 532822938 /nfs/dbraw/zinc/82/29/38/532822938.db2.gz BHZRIYLIWNRQAK-QWHCGFSZSA-N 1 0 382.302 2.120 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000273414630 532823526 /nfs/dbraw/zinc/82/35/26/532823526.db2.gz JLAIQCMFMDPQFK-LBPRGKRZSA-N 1 0 388.917 2.462 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Nc2nc(-c3cccc(Cl)c3)ns2)CC1 ZINC000273461996 532824498 /nfs/dbraw/zinc/82/44/98/532824498.db2.gz HVSBQIUMUHDHKU-UHFFFAOYSA-N 1 0 381.889 2.437 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000288352480 532825112 /nfs/dbraw/zinc/82/51/12/532825112.db2.gz ZFIIZMMREHPDDA-QMMMGPOBSA-N 1 0 396.207 2.473 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1CNCC1([NH+]2CCCC2)CCOCC1 ZINC000273483556 532825124 /nfs/dbraw/zinc/82/51/24/532825124.db2.gz TZFNVQOMBUWOTK-UHFFFAOYSA-N 1 0 386.945 2.478 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cc(Cl)ccc3C(F)(F)F)C[C@H]2C1 ZINC000288360071 532825242 /nfs/dbraw/zinc/82/52/42/532825242.db2.gz KJLJQJYNCYWQAQ-AOOOYVTPSA-N 1 0 375.778 2.317 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1Cl ZINC000273550849 532826114 /nfs/dbraw/zinc/82/61/14/532826114.db2.gz VZWLSAJMVSGRSK-GFCCVEGCSA-N 1 0 388.917 2.477 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)C[C@@H]1[NH+]1CCCC1 ZINC000273529777 532826227 /nfs/dbraw/zinc/82/62/27/532826227.db2.gz QYYUNRHZSWGCAW-JKSUJKDBSA-N 1 0 377.539 2.040 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000273556176 532826835 /nfs/dbraw/zinc/82/68/35/532826835.db2.gz XDYQGKWSVFPTJX-GFCCVEGCSA-N 1 0 388.917 2.477 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000330788606 532827377 /nfs/dbraw/zinc/82/73/77/532827377.db2.gz QXPCUHXURCFQSO-FRRDWIJNSA-N 1 0 382.302 2.118 20 0 GEADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000288516784 532829631 /nfs/dbraw/zinc/82/96/31/532829631.db2.gz HOVHHRWAHRUINR-LBPRGKRZSA-N 1 0 397.317 2.010 20 0 GEADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000273695619 532831529 /nfs/dbraw/zinc/83/15/29/532831529.db2.gz BZGRMXVSAYZIIQ-UHFFFAOYSA-N 1 0 380.695 2.038 20 0 GEADRO COc1cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc(Br)c1O ZINC000414551108 532831821 /nfs/dbraw/zinc/83/18/21/532831821.db2.gz AVFHBRBFLIQXOS-UHFFFAOYSA-N 1 0 392.315 2.468 20 0 GEADRO COc1cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)sc1Br ZINC000288611870 532832852 /nfs/dbraw/zinc/83/28/52/532832852.db2.gz UWVDILJGGDMESP-JTQLQIEISA-N 1 0 377.304 2.096 20 0 GEADRO COc1sc(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Br ZINC000331008967 532832234 /nfs/dbraw/zinc/83/22/34/532832234.db2.gz MNTURIDNDDBSPO-RYUDHWBXSA-N 1 0 397.360 2.469 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+]Cc2cc(Cl)ccc2Br)nn1 ZINC000414571760 532832369 /nfs/dbraw/zinc/83/23/69/532832369.db2.gz VVNMOPNXUMRNHH-UHFFFAOYSA-N 1 0 386.681 2.363 20 0 GEADRO C[C@@H](C[NH2+]CCCCn1cc(C(N)=O)nn1)c1cccc(Br)c1 ZINC000414562218 532832692 /nfs/dbraw/zinc/83/26/92/532832692.db2.gz AQAOLEZNBKGHIJ-LBPRGKRZSA-N 1 0 380.290 2.313 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)s1 ZINC000288567713 532831244 /nfs/dbraw/zinc/83/12/44/532831244.db2.gz RHNSOYPDWBPLJY-UKRRQHHQSA-N 1 0 385.555 2.310 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000288561989 532831323 /nfs/dbraw/zinc/83/13/23/532831323.db2.gz MIORSOOYAPHEFR-MEDUHNTESA-N 1 0 398.326 2.466 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414729286 532834379 /nfs/dbraw/zinc/83/43/79/532834379.db2.gz QSOZJKHHLQHHRY-GFCCVEGCSA-N 1 0 388.921 2.373 20 0 GEADRO C[C@]1(CO)CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000331173840 532834416 /nfs/dbraw/zinc/83/44/16/532834416.db2.gz PCJYEJDSGWQLAO-LSDHHAIUSA-N 1 0 376.316 2.364 20 0 GEADRO CC(C)[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)s2)CC[N@@H+]1C ZINC000331163835 532834832 /nfs/dbraw/zinc/83/48/32/532834832.db2.gz RUDSIYSTSRCZGH-LLVKDONJSA-N 1 0 388.331 2.039 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Br)ccc2Br)CCO1 ZINC000414786175 532835749 /nfs/dbraw/zinc/83/57/49/532835749.db2.gz WZTHSCFIPIRFGN-VIFPVBQESA-N 1 0 393.079 2.403 20 0 GEADRO [NH3+]C1(CNC(=O)Nc2cc(Br)ccc2N2CCOCC2)CCC1 ZINC000414927195 532835924 /nfs/dbraw/zinc/83/59/24/532835924.db2.gz LOZWIYHTVDPXDS-UHFFFAOYSA-N 1 0 383.290 2.289 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414923527 532835950 /nfs/dbraw/zinc/83/59/50/532835950.db2.gz FLFWIIPSVJVQOO-QWHCGFSZSA-N 1 0 397.317 2.487 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414923523 532836177 /nfs/dbraw/zinc/83/61/77/532836177.db2.gz FLFWIIPSVJVQOO-CHWSQXEVSA-N 1 0 397.317 2.487 20 0 GEADRO COC[C@@]1(CNCc2cnn(-c3ccc(Br)cc3)c2)CCC[NH2+]1 ZINC000414937577 532836367 /nfs/dbraw/zinc/83/63/67/532836367.db2.gz DDTKZORBOVDLCN-KRWDZBQOSA-N 1 0 379.302 2.493 20 0 GEADRO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000331237083 532836368 /nfs/dbraw/zinc/83/63/68/532836368.db2.gz HQBVFCUUTZMKDH-CYBMUJFWSA-N 1 0 397.317 2.361 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCn1cc(Br)cn1 ZINC000288733671 532836746 /nfs/dbraw/zinc/83/67/46/532836746.db2.gz BKAZNEDOHQQNQT-UKRRQHHQSA-N 1 0 384.322 2.304 20 0 GEADRO Brc1cnc(CNC[C@@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000415034837 532836787 /nfs/dbraw/zinc/83/67/87/532836787.db2.gz IEPFEJNIGSONNL-JTQLQIEISA-N 1 0 379.096 2.075 20 0 GEADRO CN(CC[NH3+])C(=O)Nc1cc(Br)ccc1I ZINC000415038636 532836950 /nfs/dbraw/zinc/83/69/50/532836950.db2.gz OBHPFHOOKSQXKZ-UHFFFAOYSA-N 1 0 398.042 2.476 20 0 GEADRO COc1ccc(I)c(NC(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000415079663 532837428 /nfs/dbraw/zinc/83/74/28/532837428.db2.gz XJAZGHFSNKKNCY-SECBINFHSA-N 1 0 375.210 2.125 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000415076664 532837546 /nfs/dbraw/zinc/83/75/46/532837546.db2.gz SDMRFOVBWKHQJE-ZANVPECISA-N 1 0 389.237 2.419 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2CNCCO2)cc(Br)c1OC(F)F ZINC000415090674 532837636 /nfs/dbraw/zinc/83/76/36/532837636.db2.gz AZKUHLZRGIPBMT-JTQLQIEISA-N 1 0 381.217 2.137 20 0 GEADRO Cc1ccc(NC[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1I ZINC000415122183 532837744 /nfs/dbraw/zinc/83/77/44/532837744.db2.gz NPEYDHUNBHNTKX-LBPRGKRZSA-N 1 0 387.265 2.209 20 0 GEADRO C[NH2+]CCNC(=O)Nc1cc(I)ccc1Br ZINC000415126426 532838137 /nfs/dbraw/zinc/83/81/37/532838137.db2.gz QTYSSAVARJENKP-UHFFFAOYSA-N 1 0 398.042 2.395 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000288776298 532838186 /nfs/dbraw/zinc/83/81/86/532838186.db2.gz PQPPIMNXUUDKOY-ZIAGYGMSSA-N 1 0 375.252 2.174 20 0 GEADRO Ic1cncc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1 ZINC000273985695 532838764 /nfs/dbraw/zinc/83/87/64/532838764.db2.gz MMZOFIYICQKYEX-NWDGAFQWSA-N 1 0 398.204 2.272 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000415165382 532838853 /nfs/dbraw/zinc/83/88/53/532838853.db2.gz CKGNFMQGCKPCGR-LLVKDONJSA-N 1 0 380.798 2.306 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000415202205 532839370 /nfs/dbraw/zinc/83/93/70/532839370.db2.gz NICLWWJVOPXNQU-SWLSCSKDSA-N 1 0 386.905 2.221 20 0 GEADRO CC[C@@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC)Cc1cccc(Br)c1 ZINC000288832579 532839665 /nfs/dbraw/zinc/83/96/65/532839665.db2.gz VBNKRYQOCXRZTP-IUODEOHRSA-N 1 0 385.302 2.415 20 0 GEADRO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cc(Br)cn(C)c2=O)cc1 ZINC000415251772 532839929 /nfs/dbraw/zinc/83/99/29/532839929.db2.gz JHJBJXRXTFXLEZ-JTQLQIEISA-N 1 0 379.258 2.489 20 0 GEADRO O=C(Nc1cc(C(F)(F)F)ccc1Br)C(=O)NC1CC[NH2+]CC1 ZINC000415268725 532840125 /nfs/dbraw/zinc/84/01/25/532840125.db2.gz LLAYBFSOZMYELM-UHFFFAOYSA-N 1 0 394.191 2.275 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C[C@H]1[NH3+] ZINC000331458027 532840245 /nfs/dbraw/zinc/84/02/45/532840245.db2.gz AXFDYLKGAIZGGX-KMUNFCNLSA-N 1 0 398.276 2.057 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)C1 ZINC000415282844 532840251 /nfs/dbraw/zinc/84/02/51/532840251.db2.gz NJTOORHWDANGJB-GFCCVEGCSA-N 1 0 398.301 2.163 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331459274 532840454 /nfs/dbraw/zinc/84/04/54/532840454.db2.gz DGUVAZZOYJBIOE-INIZCTEOSA-N 1 0 384.249 2.129 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415281653 532840505 /nfs/dbraw/zinc/84/05/05/532840505.db2.gz KYOQDYXPKBZUCO-GFCCVEGCSA-N 1 0 394.313 2.334 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415275369 532840524 /nfs/dbraw/zinc/84/05/24/532840524.db2.gz VMFFHMVXHRXFPL-NSHDSACASA-N 1 0 376.254 2.491 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC1 ZINC000415280595 532840547 /nfs/dbraw/zinc/84/05/47/532840547.db2.gz JDOWEGAYKQFSLB-UHFFFAOYSA-N 1 0 379.766 2.169 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000415279195 532840554 /nfs/dbraw/zinc/84/05/54/532840554.db2.gz HLLAEAIWKNCOTR-JTQLQIEISA-N 1 0 375.803 2.338 20 0 GEADRO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1ccccc1Cn1cncn1 ZINC000359903787 203802211 /nfs/dbraw/zinc/80/22/11/203802211.db2.gz VMHVNQRTPNKKAP-UHFFFAOYSA-N 1 0 379.468 2.261 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC000415292030 532840760 /nfs/dbraw/zinc/84/07/60/532840760.db2.gz AVCYNCVNVAQDBC-JTQLQIEISA-N 1 0 379.766 2.040 20 0 GEADRO C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)N1C(=O)c2ccccc2C1=O ZINC000006399176 204177570 /nfs/dbraw/zinc/17/75/70/204177570.db2.gz YLDDZQZSOZFISE-OAHLLOKOSA-N 1 0 392.459 2.062 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2F)C1 ZINC000415288693 532840816 /nfs/dbraw/zinc/84/08/16/532840816.db2.gz ZYLQDLFHCAHNFM-NSHDSACASA-N 1 0 386.265 2.293 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cnc1Br ZINC000288898708 532841284 /nfs/dbraw/zinc/84/12/84/532841284.db2.gz GWVWKKJTMFMNJI-JSGCOSHPSA-N 1 0 395.301 2.176 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C1 ZINC000415324799 532841274 /nfs/dbraw/zinc/84/12/74/532841274.db2.gz UWUBHKOWAAHCSY-ZDUSSCGKSA-N 1 0 376.507 2.362 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCn2cc(Br)cn2)[C@H](C)C1 ZINC000288917484 532841581 /nfs/dbraw/zinc/84/15/81/532841581.db2.gz WVGVJULIWCOQSC-HIFRSBDPSA-N 1 0 386.338 2.407 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415340056 532841757 /nfs/dbraw/zinc/84/17/57/532841757.db2.gz ZLBRKWQCWWAPSZ-GXFFZTMASA-N 1 0 382.258 2.451 20 0 GEADRO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000047920225 205113146 /nfs/dbraw/zinc/11/31/46/205113146.db2.gz VRHPTVPQWYZOOM-JKSUJKDBSA-N 1 0 381.542 2.225 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415342119 532842216 /nfs/dbraw/zinc/84/22/16/532842216.db2.gz ZXEYGBYRDAZRPL-ZCFIWIBFSA-N 1 0 381.057 2.173 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415349613 532842250 /nfs/dbraw/zinc/84/22/50/532842250.db2.gz GZDZLFFRNMCUOC-RYUDHWBXSA-N 1 0 398.301 2.291 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000415351858 532842227 /nfs/dbraw/zinc/84/22/27/532842227.db2.gz KECLHDUMADPSPX-BDAKNGLRSA-N 1 0 390.228 2.170 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1Br ZINC000415349547 532842290 /nfs/dbraw/zinc/84/22/90/532842290.db2.gz GPBFUNRXAGNMHI-QWRGUYRKSA-N 1 0 386.265 2.339 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(F)cc1Br ZINC000415346355 532842402 /nfs/dbraw/zinc/84/24/02/532842402.db2.gz HIIKOLFKQBRYHN-MNOVXSKESA-N 1 0 386.265 2.339 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415361423 532842581 /nfs/dbraw/zinc/84/25/81/532842581.db2.gz NBQVEWVZFYQXKB-SNVBAGLBSA-N 1 0 375.803 2.133 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415354207 532842736 /nfs/dbraw/zinc/84/27/36/532842736.db2.gz DLOSPCRHTLJKEW-SNVBAGLBSA-N 1 0 379.766 2.388 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415378132 532843100 /nfs/dbraw/zinc/84/31/00/532843100.db2.gz BWRJRDQOLBRSDO-JTQLQIEISA-N 1 0 386.265 2.421 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N(CC[NH3+])CCO)c1C ZINC000415364743 532843142 /nfs/dbraw/zinc/84/31/42/532843142.db2.gz UXYUYULKVAEJFM-UHFFFAOYSA-N 1 0 396.289 2.037 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC000415366704 532843202 /nfs/dbraw/zinc/84/32/02/532843202.db2.gz FUGDWVQPYCBOTB-UHFFFAOYSA-N 1 0 375.803 2.309 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2Cl)C1 ZINC000415385716 532843411 /nfs/dbraw/zinc/84/34/11/532843411.db2.gz AFQOSOQAUHVUKW-SNVBAGLBSA-N 1 0 388.693 2.417 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)c(F)cc1Br ZINC000415380959 532843539 /nfs/dbraw/zinc/84/35/39/532843539.db2.gz HVYAMOUGAKFINB-SNVBAGLBSA-N 1 0 386.265 2.421 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415384661 532843505 /nfs/dbraw/zinc/84/35/05/532843505.db2.gz VCGDMQCRDZRRGV-JTQLQIEISA-N 1 0 379.766 2.088 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc(OC(C)C)c2)C1 ZINC000415391354 532843509 /nfs/dbraw/zinc/84/35/09/532843509.db2.gz HLUDDROQJXQFOL-GFCCVEGCSA-N 1 0 398.301 2.243 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000415390356 532843514 /nfs/dbraw/zinc/84/35/14/532843514.db2.gz UQNMSUSTKHVCHT-VIFPVBQESA-N 1 0 375.803 2.466 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415386204 532843642 /nfs/dbraw/zinc/84/36/42/532843642.db2.gz BNNSKFVSVGJPHD-QMMMGPOBSA-N 1 0 392.656 2.296 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415386201 532843644 /nfs/dbraw/zinc/84/36/44/532843644.db2.gz BNNSKFVSVGJPHD-MRVPVSSYSA-N 1 0 392.656 2.296 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C)c1F)[C@H]1CC[NH2+]C1 ZINC000415386176 532843652 /nfs/dbraw/zinc/84/36/52/532843652.db2.gz BLGCHRONEAWMII-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000415406746 532844320 /nfs/dbraw/zinc/84/43/20/532844320.db2.gz AJJJZWIIZDBDSM-VIFPVBQESA-N 1 0 381.782 2.191 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000331766372 532844443 /nfs/dbraw/zinc/84/44/43/532844443.db2.gz CGKIFJIGVZOHLM-CYBMUJFWSA-N 1 0 389.315 2.050 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000415409684 532844627 /nfs/dbraw/zinc/84/46/27/532844627.db2.gz TUDQEXPSHGLKDY-NSHDSACASA-N 1 0 392.200 2.354 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415422956 532844708 /nfs/dbraw/zinc/84/47/08/532844708.db2.gz FGAFHDFSFNOCLJ-NSHDSACASA-N 1 0 393.285 2.425 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415423306 532845062 /nfs/dbraw/zinc/84/50/62/532845062.db2.gz YEGCOTBQUVCZOE-SSDOTTSWSA-N 1 0 382.180 2.212 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000415430095 532845130 /nfs/dbraw/zinc/84/51/30/532845130.db2.gz SNEJADIROPXKOV-OAHLLOKOSA-N 1 0 398.301 2.420 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC[C@H]1[NH3+] ZINC000415428727 532845146 /nfs/dbraw/zinc/84/51/46/532845146.db2.gz DDEVIWBTXWQSHY-ZWNOBZJWSA-N 1 0 391.269 2.132 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000415423139 532845148 /nfs/dbraw/zinc/84/51/48/532845148.db2.gz XXVZKIFMTVXVKL-MRVPVSSYSA-N 1 0 392.681 2.245 20 0 GEADRO COCC[NH2+]CCNC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000415424782 532845163 /nfs/dbraw/zinc/84/51/63/532845163.db2.gz ITQMGWSYLFGRPL-UHFFFAOYSA-N 1 0 386.283 2.845 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)C[N@@H+]1C1CC1 ZINC000289031659 532845174 /nfs/dbraw/zinc/84/51/74/532845174.db2.gz VYFQRCBSKQVBHI-JSGCOSHPSA-N 1 0 394.313 2.149 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000331836433 532845228 /nfs/dbraw/zinc/84/52/28/532845228.db2.gz CGNPVQSMTBTXHW-BETUJISGSA-N 1 0 397.317 2.492 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000415436274 532845318 /nfs/dbraw/zinc/84/53/18/532845318.db2.gz YKBRHIPYAGTIBE-LBPRGKRZSA-N 1 0 386.290 2.276 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000415439914 532845303 /nfs/dbraw/zinc/84/53/03/532845303.db2.gz MDOIAPFUOIAFEV-WDEREUQCSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC[C@@H]1[NH3+] ZINC000415439415 532845443 /nfs/dbraw/zinc/84/54/43/532845443.db2.gz LSFBNEDMXKOTLG-ONGXEEELSA-N 1 0 375.803 2.118 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415439873 532845581 /nfs/dbraw/zinc/84/55/81/532845581.db2.gz NOKMUBJSNJQQLZ-NSHDSACASA-N 1 0 381.782 2.319 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1Br ZINC000289051880 532845855 /nfs/dbraw/zinc/84/58/55/532845855.db2.gz NPLPXSHPFPZOJZ-WCQYABFASA-N 1 0 395.301 2.176 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415446221 532845951 /nfs/dbraw/zinc/84/59/51/532845951.db2.gz SXHKBCODMAQASM-NEPJUHHUSA-N 1 0 398.301 2.290 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000415448274 532845996 /nfs/dbraw/zinc/84/59/96/532845996.db2.gz XTBWGCLJWIRNCI-QMMMGPOBSA-N 1 0 394.191 2.227 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000415449274 532846063 /nfs/dbraw/zinc/84/60/63/532846063.db2.gz IIYRYIZKBRHTIZ-AWEZNQCLSA-N 1 0 386.290 2.274 20 0 GEADRO C[C@H](CNC(=O)c1nc2ccc(Br)cn2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000331865668 532846111 /nfs/dbraw/zinc/84/61/11/532846111.db2.gz BXWQWDCUFSJOPL-NWDGAFQWSA-N 1 0 380.290 2.342 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415444104 532846122 /nfs/dbraw/zinc/84/61/22/532846122.db2.gz RHKYZCPONFSVJG-GHMZBOCLSA-N 1 0 386.265 2.421 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000415482194 532846960 /nfs/dbraw/zinc/84/69/60/532846960.db2.gz WJODUBCWWHWNAY-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000289090377 532847556 /nfs/dbraw/zinc/84/75/56/532847556.db2.gz OSEYYDDUHGHYHI-FZMZJTMJSA-N 1 0 383.290 2.238 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000289090373 532847560 /nfs/dbraw/zinc/84/75/60/532847560.db2.gz OSEYYDDUHGHYHI-BXUZGUMPSA-N 1 0 383.290 2.238 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Br)c(C)cc1OC ZINC000415480706 532847150 /nfs/dbraw/zinc/84/71/50/532847150.db2.gz DSWNWBRPQCLFBL-UHFFFAOYSA-N 1 0 386.290 2.338 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)cnc1C)C1CC[NH2+]CC1 ZINC000415507936 532848300 /nfs/dbraw/zinc/84/83/00/532848300.db2.gz WPQUPMRTVBCQBD-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000415518451 532848338 /nfs/dbraw/zinc/84/83/38/532848338.db2.gz MTUXHJRFBRGUDI-UHFFFAOYSA-N 1 0 381.782 2.335 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415530794 532848731 /nfs/dbraw/zinc/84/87/31/532848731.db2.gz XZFQJOKTGRCVIR-OAHLLOKOSA-N 1 0 380.286 2.378 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000274360675 532848562 /nfs/dbraw/zinc/84/85/62/532848562.db2.gz WFEVCCDDLSEGLU-AWEZNQCLSA-N 1 0 395.301 2.450 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000289166326 532849002 /nfs/dbraw/zinc/84/90/02/532849002.db2.gz WVVQKKVIULUDEA-UHFFFAOYSA-N 1 0 385.306 2.488 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415529464 532848802 /nfs/dbraw/zinc/84/88/02/532848802.db2.gz STIXMZIAUFBTAI-QWRGUYRKSA-N 1 0 391.269 2.132 20 0 GEADRO COCC[NH2+]CCNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415524628 532848888 /nfs/dbraw/zinc/84/88/88/532848888.db2.gz CDDPYBHQJXWBAY-UHFFFAOYSA-N 1 0 396.289 2.051 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000415534007 532849215 /nfs/dbraw/zinc/84/92/15/532849215.db2.gz BURHDYZSDHCDKF-PBWFPOADSA-N 1 0 380.286 2.437 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br)C1CC1 ZINC000415542563 532849228 /nfs/dbraw/zinc/84/92/28/532849228.db2.gz VKGFXQGMIFEMEL-JTQLQIEISA-N 1 0 394.191 2.260 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415534706 532849592 /nfs/dbraw/zinc/84/95/92/532849592.db2.gz YIPRYXMJYBCVPX-MNOVXSKESA-N 1 0 391.269 2.132 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415564126 532850274 /nfs/dbraw/zinc/85/02/74/532850274.db2.gz BVIWECBENGMPQD-QGZVFWFLSA-N 1 0 398.301 2.211 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(Br)c(F)cc1F ZINC000415563447 532850490 /nfs/dbraw/zinc/85/04/90/532850490.db2.gz NOFYLWYGQFJMMF-UHFFFAOYSA-N 1 0 377.233 2.144 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000289242453 532850800 /nfs/dbraw/zinc/85/08/00/532850800.db2.gz OYJNZWLWHRGVKU-NXEZZACHSA-N 1 0 380.436 2.186 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CCC[NH2+]C1 ZINC000415576233 532850929 /nfs/dbraw/zinc/85/09/29/532850929.db2.gz VTDYMZFVVCGYBB-MRXNPFEDSA-N 1 0 375.803 2.386 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1Br ZINC000415620490 532851131 /nfs/dbraw/zinc/85/11/31/532851131.db2.gz UWRCFFBHXWJFIR-QPUJVOFHSA-N 1 0 388.693 2.464 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1Br ZINC000415616559 532851141 /nfs/dbraw/zinc/85/11/41/532851141.db2.gz UCZQQPPUUIFJDW-MRXNPFEDSA-N 1 0 382.258 2.453 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415638737 532851580 /nfs/dbraw/zinc/85/15/80/532851580.db2.gz OSPCWPISPGFYIM-GHMZBOCLSA-N 1 0 379.262 2.231 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415607709 532851417 /nfs/dbraw/zinc/85/14/17/532851417.db2.gz SWUJWLYYPFECJH-QGZVFWFLSA-N 1 0 380.286 2.162 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(Br)c(F)c(C(=O)OC)c2)C1 ZINC000415615157 532851454 /nfs/dbraw/zinc/85/14/54/532851454.db2.gz QIOHEXRTHDMOGN-VIFPVBQESA-N 1 0 388.237 2.448 20 0 GEADRO COC(=O)c1cc(NC(=O)NC[C@H]([NH3+])C(C)C)cc(Br)c1F ZINC000415613078 532851467 /nfs/dbraw/zinc/85/14/67/532851467.db2.gz MHLAFRDYHGRTNI-NSHDSACASA-N 1 0 376.226 2.480 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(Br)cc3F)CC2)C1=O ZINC000332278647 532851511 /nfs/dbraw/zinc/85/15/11/532851511.db2.gz GYCLBVCSGDGQRF-HNNXBMFYSA-N 1 0 398.276 2.013 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000415644883 532851807 /nfs/dbraw/zinc/85/18/07/532851807.db2.gz AMUBSRJSCPFGRP-LURJTMIESA-N 1 0 388.173 2.336 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415649131 532852120 /nfs/dbraw/zinc/85/21/20/532852120.db2.gz PGBJJDJITLPQBL-QWHCGFSZSA-N 1 0 380.286 2.262 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1OCC ZINC000415653724 532852200 /nfs/dbraw/zinc/85/22/00/532852200.db2.gz GADSNCUHKLVPDV-SECBINFHSA-N 1 0 390.253 2.040 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)C[C@H]21 ZINC000332347256 532852250 /nfs/dbraw/zinc/85/22/50/532852250.db2.gz OBJMRPDIAODFOX-UFGOTCBOSA-N 1 0 384.249 2.113 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1Br ZINC000415647606 532852255 /nfs/dbraw/zinc/85/22/55/532852255.db2.gz AWBRWBBSGNKXAW-MWLCHTKSSA-N 1 0 388.693 2.464 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[NH2+]1 ZINC000415661911 532852758 /nfs/dbraw/zinc/85/27/58/532852758.db2.gz PKVZGHHSTMVCAY-HTQZYQBOSA-N 1 0 392.656 2.437 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000415658326 532852767 /nfs/dbraw/zinc/85/27/67/532852767.db2.gz PDFLQDUALQGIBN-LLVKDONJSA-N 1 0 380.901 2.440 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC[NH2+]1 ZINC000415665857 532852772 /nfs/dbraw/zinc/85/27/72/532852772.db2.gz VGIDGUZWAWYWKX-GWCFXTLKSA-N 1 0 391.269 2.193 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415669929 532853017 /nfs/dbraw/zinc/85/30/17/532853017.db2.gz IAWMGCAMPAVWGL-CPCISQLKSA-N 1 0 392.656 2.437 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[NH2+]1 ZINC000415667887 532853034 /nfs/dbraw/zinc/85/30/34/532853034.db2.gz YUIVMPXOADCMFF-WDEREUQCSA-N 1 0 391.269 2.193 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415675161 532853038 /nfs/dbraw/zinc/85/30/38/532853038.db2.gz IYPHASDTFCAWIT-LBPRGKRZSA-N 1 0 394.313 2.464 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000415674278 532853096 /nfs/dbraw/zinc/85/30/96/532853096.db2.gz KAEPKGXOFAKWDN-CYBMUJFWSA-N 1 0 386.265 2.421 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000415682558 532853640 /nfs/dbraw/zinc/85/36/40/532853640.db2.gz VIWXRGLWIXIKPZ-SNVBAGLBSA-N 1 0 375.803 2.467 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415696984 532853989 /nfs/dbraw/zinc/85/39/89/532853989.db2.gz VPCSLGDERRVMGR-QGZVFWFLSA-N 1 0 391.269 2.133 20 0 GEADRO CO[C@@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)[C@H](C[NH3+])C1 ZINC000415700497 532853994 /nfs/dbraw/zinc/85/39/94/532853994.db2.gz CUVIRRJLMZNNGH-WDEREUQCSA-N 1 0 394.273 2.362 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332382059 532854103 /nfs/dbraw/zinc/85/41/03/532854103.db2.gz VJACEPMHXLDNOY-LOWVWBTDSA-N 1 0 398.276 2.421 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c1Br ZINC000415708555 532854481 /nfs/dbraw/zinc/85/44/81/532854481.db2.gz ODKPBBYSGITHBQ-QWRGUYRKSA-N 1 0 383.290 2.400 20 0 GEADRO COC[C@]1(CNC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)CCC[NH2+]1 ZINC000415714838 532854527 /nfs/dbraw/zinc/85/45/27/532854527.db2.gz YLLFWIUDXFGVEU-MRXNPFEDSA-N 1 0 375.803 2.101 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415693050 532854263 /nfs/dbraw/zinc/85/42/63/532854263.db2.gz PFQNPHFYJNQHSJ-KRWDZBQOSA-N 1 0 398.301 2.372 20 0 GEADRO [NH3+]CCCN(CC1CCCC1)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000415715095 532854402 /nfs/dbraw/zinc/85/44/02/532854402.db2.gz WORWPVFZZAKONJ-UHFFFAOYSA-N 1 0 383.290 2.150 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415733719 532855089 /nfs/dbraw/zinc/85/50/89/532855089.db2.gz IEZNOHJGZINBHW-HAQNSBGRSA-N 1 0 398.301 2.278 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(OC)c(Br)cc1C(=O)OC ZINC000415729783 532855130 /nfs/dbraw/zinc/85/51/30/532855130.db2.gz SYVTYUYCIGCANQ-SECBINFHSA-N 1 0 388.262 2.221 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415738439 532855165 /nfs/dbraw/zinc/85/51/65/532855165.db2.gz FIXIXALPZUZKAZ-LBPRGKRZSA-N 1 0 399.333 2.083 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415755196 532855935 /nfs/dbraw/zinc/85/59/35/532855935.db2.gz GFTFOBFHVWYHNL-UHFFFAOYSA-N 1 0 378.217 2.300 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415756571 532855945 /nfs/dbraw/zinc/85/59/45/532855945.db2.gz LOQJWUQQWFETAG-STQMWFEESA-N 1 0 378.274 2.448 20 0 GEADRO C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000415760311 532855957 /nfs/dbraw/zinc/85/59/57/532855957.db2.gz SDJTXWYGVJZWLG-WCQYABFASA-N 1 0 378.274 2.897 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415761685 532855959 /nfs/dbraw/zinc/85/59/59/532855959.db2.gz ULRUVFMUAUMFIB-VXGBXAGGSA-N 1 0 378.274 2.836 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2Br)CCO1 ZINC000274770573 532856016 /nfs/dbraw/zinc/85/60/16/532856016.db2.gz JQHGVTHJEFPBBE-LLVKDONJSA-N 1 0 377.666 2.058 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415754480 532856069 /nfs/dbraw/zinc/85/60/69/532856069.db2.gz ZNRKUDGJQIBXDP-UWVGGRQHSA-N 1 0 386.677 2.109 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)s1 ZINC000415766795 532856542 /nfs/dbraw/zinc/85/65/42/532856542.db2.gz MHLPOOMZKAWSOX-VXGBXAGGSA-N 1 0 376.507 2.329 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000289495101 532856621 /nfs/dbraw/zinc/85/66/21/532856621.db2.gz JIERMIMFADMRQA-UHFFFAOYSA-N 1 0 375.922 2.165 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(COc3cccc(Br)c3)o2)CCO1 ZINC000274807471 532856626 /nfs/dbraw/zinc/85/66/26/532856626.db2.gz QFDYHMZLIAFHMK-OAHLLOKOSA-N 1 0 395.253 2.421 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000415767765 532856374 /nfs/dbraw/zinc/85/63/74/532856374.db2.gz BIGFXLAFTYZOBD-JTQLQIEISA-N 1 0 375.210 2.173 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415766770 532856466 /nfs/dbraw/zinc/85/64/66/532856466.db2.gz MEMGXWRUAOPYSN-MWLCHTKSSA-N 1 0 386.677 2.251 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000415765266 532856477 /nfs/dbraw/zinc/85/64/77/532856477.db2.gz SVSFLUZBFFGVSL-UHFFFAOYSA-N 1 0 386.290 2.338 20 0 GEADRO COc1cc(I)ccc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415774891 532856839 /nfs/dbraw/zinc/85/68/39/532856839.db2.gz RHQJGKQBGPRZOZ-JTQLQIEISA-N 1 0 389.237 2.421 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000332513643 532856921 /nfs/dbraw/zinc/85/69/21/532856921.db2.gz VXFHTGJQIQPNAX-KBPBESRZSA-N 1 0 394.313 2.028 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(I)cc2OC)C1 ZINC000415775411 532856920 /nfs/dbraw/zinc/85/69/20/532856920.db2.gz UDISNTOOUBKYKY-SNVBAGLBSA-N 1 0 389.237 2.373 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289493178 532856929 /nfs/dbraw/zinc/85/69/29/532856929.db2.gz ADHAVNOIKXLWKS-GEYXIOIISA-N 1 0 393.281 2.301 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415775936 532856724 /nfs/dbraw/zinc/85/67/24/532856724.db2.gz ACYFHHGNVBKTBS-RNFRBKRXSA-N 1 0 382.180 2.258 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cn(C(C)C)nn2)s1 ZINC000289518564 532857519 /nfs/dbraw/zinc/85/75/19/532857519.db2.gz BBFUOPFSWGQECS-UHFFFAOYSA-N 1 0 385.559 2.283 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415793485 532857889 /nfs/dbraw/zinc/85/78/89/532857889.db2.gz UXNRWLUKQQOKRE-ZETCQYMHSA-N 1 0 398.179 2.140 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H](CO)C1CCCC1)c1cccc(Br)c1 ZINC000289540818 532857895 /nfs/dbraw/zinc/85/78/95/532857895.db2.gz NPNZOOWUTBWRSH-HNNXBMFYSA-N 1 0 376.316 2.364 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000415823463 532858847 /nfs/dbraw/zinc/85/88/47/532858847.db2.gz SVGKLSCWZCUQNB-NSHDSACASA-N 1 0 386.279 2.146 20 0 GEADRO COc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289550385 532858665 /nfs/dbraw/zinc/85/86/65/532858665.db2.gz IMKKYZGFLRPBFT-PXAZEXFGSA-N 1 0 396.285 2.410 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415834648 532859395 /nfs/dbraw/zinc/85/93/95/532859395.db2.gz LGZLYUUGVFSNEP-DGCLKSJQSA-N 1 0 398.301 2.418 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C[C@@]1(C)C[NH3+] ZINC000415834152 532859340 /nfs/dbraw/zinc/85/93/40/532859340.db2.gz APKYICLPSRBBRA-RFAUZJTJSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C[C@@H]1C[NH3+] ZINC000415838351 532859687 /nfs/dbraw/zinc/85/96/87/532859687.db2.gz DACBPTFDIANGBD-ZJUUUORDSA-N 1 0 388.693 2.484 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1Br ZINC000415836435 532859721 /nfs/dbraw/zinc/85/97/21/532859721.db2.gz DXFNGNBUPIIUMA-PIGZYNQJSA-N 1 0 398.301 2.230 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415839254 532859750 /nfs/dbraw/zinc/85/97/50/532859750.db2.gz SBAPXTQDUJTCSP-ONGXEEELSA-N 1 0 375.803 2.166 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415843166 532860071 /nfs/dbraw/zinc/86/00/71/532860071.db2.gz SGYYNRMKENKDCG-ONGXEEELSA-N 1 0 375.416 2.365 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C[C@@H]1C[NH3+] ZINC000415847075 532860300 /nfs/dbraw/zinc/86/03/00/532860300.db2.gz KUJYOEUXCSAKMM-IUCAKERBSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415852818 532860519 /nfs/dbraw/zinc/86/05/19/532860519.db2.gz RSLVYHBASLLEQC-ONGXEEELSA-N 1 0 386.265 2.278 20 0 GEADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000332709795 532860609 /nfs/dbraw/zinc/86/06/09/532860609.db2.gz YFDKEQQUIMKPDM-CYBMUJFWSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@@H]1C[NH3+] ZINC000415852102 532860733 /nfs/dbraw/zinc/86/07/33/532860733.db2.gz QCJJELUTEQRVAQ-JQWIXIFHSA-N 1 0 395.301 2.103 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C[C@@H]1C[NH3+] ZINC000415849112 532860754 /nfs/dbraw/zinc/86/07/54/532860754.db2.gz MKTVYHSJPUBNSI-UWVGGRQHSA-N 1 0 388.693 2.484 20 0 GEADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415866228 532861014 /nfs/dbraw/zinc/86/10/14/532861014.db2.gz BTKDGSYEQXMFPJ-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415869311 532861047 /nfs/dbraw/zinc/86/10/47/532861047.db2.gz ZVKLGZLHNOMVFG-CYBMUJFWSA-N 1 0 385.917 2.355 20 0 GEADRO COc1cc(Cl)c(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1C ZINC000289631721 532860962 /nfs/dbraw/zinc/86/09/62/532860962.db2.gz KMQNZIAEOPNQOF-QGZVFWFLSA-N 1 0 385.917 2.149 20 0 GEADRO O=C(Nc1ccc(Br)c2cccnc12)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415864090 532861239 /nfs/dbraw/zinc/86/12/39/532861239.db2.gz HIDIZZPYEFVYBZ-LLVKDONJSA-N 1 0 391.269 2.194 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415869314 532861099 /nfs/dbraw/zinc/86/10/99/532861099.db2.gz ZVKLGZLHNOMVFG-ZDUSSCGKSA-N 1 0 385.917 2.355 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415863271 532861131 /nfs/dbraw/zinc/86/11/31/532861131.db2.gz AXMIZJAOYJAFDV-HOSYDEDBSA-N 1 0 384.249 2.031 20 0 GEADRO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415870877 532861600 /nfs/dbraw/zinc/86/16/00/532861600.db2.gz PPDYEKGSFVAQDM-JTQLQIEISA-N 1 0 379.766 2.435 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1Br ZINC000289635003 532861609 /nfs/dbraw/zinc/86/16/09/532861609.db2.gz MEFWMNHYUNUTKO-SJCJKPOMSA-N 1 0 396.285 2.410 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)cc1Br ZINC000415884201 532862028 /nfs/dbraw/zinc/86/20/28/532862028.db2.gz CUXQMKHEUDGCLF-UHFFFAOYSA-N 1 0 380.286 2.430 20 0 GEADRO Nc1ncc(Br)cc1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415953613 532862459 /nfs/dbraw/zinc/86/24/59/532862459.db2.gz IRWFFFUZWBAYMR-UHFFFAOYSA-N 1 0 394.248 2.533 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000415881196 532862141 /nfs/dbraw/zinc/86/21/41/532862141.db2.gz UFIDVPPZBFEXHU-JHJVBQTASA-N 1 0 380.286 2.200 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333140466 532864734 /nfs/dbraw/zinc/86/47/34/532864734.db2.gz CYINKKOSZQVOQL-WFASDCNBSA-N 1 0 395.301 2.089 20 0 GEADRO CN(C(=O)CCn1cc(Br)ccc1=O)C(C)(C)C[NH+]1CCCC1 ZINC000416106866 532864574 /nfs/dbraw/zinc/86/45/74/532864574.db2.gz NPKDGAFRDSDWRG-UHFFFAOYSA-N 1 0 384.318 2.334 20 0 GEADRO Cn1ccnc1[C@H]1OCC[C@@H]1NCc1nc2ccccn2c1Br ZINC000289779803 532864652 /nfs/dbraw/zinc/86/46/52/532864652.db2.gz RIAMGRDWUOKHAQ-FZMZJTMJSA-N 1 0 376.258 2.450 20 0 GEADRO COc1ncccc1CC[NH2+]Cc1ncc(I)s1 ZINC000289823701 532865224 /nfs/dbraw/zinc/86/52/24/532865224.db2.gz NVENEGPKIXVZGD-UHFFFAOYSA-N 1 0 375.235 2.484 20 0 GEADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000275130306 532865709 /nfs/dbraw/zinc/86/57/09/532865709.db2.gz RSSVRPPOMWYBDK-MFKMUULPSA-N 1 0 395.219 2.483 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333190949 532865953 /nfs/dbraw/zinc/86/59/53/532865953.db2.gz UYNPMSCWZYCQRV-NEPJUHHUSA-N 1 0 391.273 2.103 20 0 GEADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000289853818 532866379 /nfs/dbraw/zinc/86/63/79/532866379.db2.gz GBBLUWCRSJZHHY-LSDHHAIUSA-N 1 0 382.302 2.073 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333190950 532866082 /nfs/dbraw/zinc/86/60/82/532866082.db2.gz UYNPMSCWZYCQRV-NWDGAFQWSA-N 1 0 391.273 2.103 20 0 GEADRO O=C(Nc1ccc2nccnc2c1Br)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333339797 532866901 /nfs/dbraw/zinc/86/69/01/532866901.db2.gz PNQBTQJCWFMQBK-WDEREUQCSA-N 1 0 376.258 2.466 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)C[C@H]12 ZINC000333398980 532867968 /nfs/dbraw/zinc/86/79/68/532867968.db2.gz YLNSIKCSIYOCRA-BYCMXARLSA-N 1 0 390.285 2.836 20 0 GEADRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000275184483 532868025 /nfs/dbraw/zinc/86/80/25/532868025.db2.gz DZJVKMKNKNLHOG-CABCVRRESA-N 1 0 398.301 2.051 20 0 GEADRO CC(C)CN1CCO[C@@H](CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000333391204 532868040 /nfs/dbraw/zinc/86/80/40/532868040.db2.gz GZIDETUZZCMWSB-SLTAFYQDSA-N 1 0 386.480 2.384 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289944618 532868926 /nfs/dbraw/zinc/86/89/26/532868926.db2.gz OWZCNALVIINGMV-HIFRSBDPSA-N 1 0 398.320 2.273 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333497280 532869514 /nfs/dbraw/zinc/86/95/14/532869514.db2.gz DZRTYXGDVUJALO-PBHICJAKSA-N 1 0 388.917 2.256 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000333478069 532869403 /nfs/dbraw/zinc/86/94/03/532869403.db2.gz BSDDPQAVTJUERZ-CJNGLKHVSA-N 1 0 376.881 2.386 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333497281 532870025 /nfs/dbraw/zinc/87/00/25/532870025.db2.gz DZRTYXGDVUJALO-RHSMWYFYSA-N 1 0 388.917 2.256 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCc1cc(Br)ccc1F ZINC000416305566 532870056 /nfs/dbraw/zinc/87/00/56/532870056.db2.gz JAJOAEYQNDTTGI-CHWSQXEVSA-N 1 0 387.293 2.434 20 0 GEADRO OCc1cn(CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)nn1 ZINC000290008009 532870183 /nfs/dbraw/zinc/87/01/83/532870183.db2.gz ZOIMMGFIQFIVPF-HNNXBMFYSA-N 1 0 381.274 2.427 20 0 GEADRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333536877 532870553 /nfs/dbraw/zinc/87/05/53/532870553.db2.gz RFLPSNSBGSNYRF-AWEZNQCLSA-N 1 0 384.307 2.349 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000416304955 532870308 /nfs/dbraw/zinc/87/03/08/532870308.db2.gz ZUCJHDUNZFGYTK-VXGBXAGGSA-N 1 0 385.295 2.097 20 0 GEADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290048138 532871182 /nfs/dbraw/zinc/87/11/82/532871182.db2.gz GYLSJVNLEGDBIB-IUCAKERBSA-N 1 0 392.187 2.251 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1c[nH]c2cccc(Br)c21 ZINC000416320018 532870922 /nfs/dbraw/zinc/87/09/22/532870922.db2.gz ZBKFRRMJQOLHLE-VXGBXAGGSA-N 1 0 380.286 2.458 20 0 GEADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333547871 532871078 /nfs/dbraw/zinc/87/10/78/532871078.db2.gz MAAXSCHAIKDCLM-HEHGZKQESA-N 1 0 392.297 2.012 20 0 GEADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000333694541 532871854 /nfs/dbraw/zinc/87/18/54/532871854.db2.gz QCXBBDSBCUSNGQ-CYBMUJFWSA-N 1 0 395.301 2.171 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000333719182 532872356 /nfs/dbraw/zinc/87/23/56/532872356.db2.gz UGOOCHBKVDCTLY-ZBFHGGJFSA-N 1 0 378.416 2.011 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000333720091 532872618 /nfs/dbraw/zinc/87/26/18/532872618.db2.gz GMHBVUQAGNVJEA-VCTAVGKDSA-N 1 0 385.295 2.396 20 0 GEADRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000290087572 532872164 /nfs/dbraw/zinc/87/21/64/532872164.db2.gz HEHAOZMKWLLJLC-YGRLFVJLSA-N 1 0 391.331 2.298 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000333736266 532872984 /nfs/dbraw/zinc/87/29/84/532872984.db2.gz WYGYKHXVYSPZMJ-HOTGVXAUSA-N 1 0 376.881 2.386 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333746391 532872900 /nfs/dbraw/zinc/87/29/00/532872900.db2.gz JMFAJARDHMOTNU-CUOATXAZSA-N 1 0 384.249 2.415 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290116111 532872894 /nfs/dbraw/zinc/87/28/94/532872894.db2.gz KVEGSBAUCGKNOP-CYBMUJFWSA-N 1 0 377.539 2.143 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C1CCS(=O)(=O)CC1 ZINC000275337271 532873091 /nfs/dbraw/zinc/87/30/91/532873091.db2.gz NZWALKFNLHAAGQ-WCQYABFASA-N 1 0 388.892 2.387 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000333733049 532873107 /nfs/dbraw/zinc/87/31/07/532873107.db2.gz WLFMZOTXTRDYTG-GOEBONIOSA-N 1 0 376.881 2.386 20 0 GEADRO O=C(c1cccc(Br)c1F)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333776491 532873659 /nfs/dbraw/zinc/87/36/59/532873659.db2.gz TYXMSUOAQYHFTE-LBPRGKRZSA-N 1 0 398.276 2.015 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000416390858 532874972 /nfs/dbraw/zinc/87/49/72/532874972.db2.gz PYYDTQISKOKBGQ-LBPRGKRZSA-N 1 0 386.901 2.422 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1Cl ZINC000416391405 532875037 /nfs/dbraw/zinc/87/50/37/532875037.db2.gz REUBIRBMTARWKP-UHFFFAOYSA-N 1 0 376.906 2.320 20 0 GEADRO COc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)ccc1Cl ZINC000416390936 532875275 /nfs/dbraw/zinc/87/52/75/532875275.db2.gz QHVYGKGEWZFIKQ-UHFFFAOYSA-N 1 0 383.901 2.496 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(F)c(F)cc1Br ZINC000290260491 532876362 /nfs/dbraw/zinc/87/63/62/532876362.db2.gz YVFXZCJWQHPSTM-UHFFFAOYSA-N 1 0 378.261 2.341 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000290286893 532876842 /nfs/dbraw/zinc/87/68/42/532876842.db2.gz ZRPINHBKWGOCIN-MISXGVKJSA-N 1 0 389.315 2.189 20 0 GEADRO C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417182979 532878868 /nfs/dbraw/zinc/87/88/68/532878868.db2.gz RDNAKHMXJMDJOZ-KWBADKCTSA-N 1 0 384.274 2.412 20 0 GEADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000417183850 532878897 /nfs/dbraw/zinc/87/88/97/532878897.db2.gz RZCSBBRYWRQTPM-WDEREUQCSA-N 1 0 384.274 2.414 20 0 GEADRO C[C@@H](NC(=O)NC1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000417182956 532879003 /nfs/dbraw/zinc/87/90/03/532879003.db2.gz RBXSAZMXQYENPN-SNVBAGLBSA-N 1 0 384.274 2.333 20 0 GEADRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000417187762 532879008 /nfs/dbraw/zinc/87/90/08/532879008.db2.gz WSOBXGUUKRRZKZ-RNCFNFMXSA-N 1 0 384.274 2.318 20 0 GEADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000417183845 532879133 /nfs/dbraw/zinc/87/91/33/532879133.db2.gz RZCSBBRYWRQTPM-GHMZBOCLSA-N 1 0 384.274 2.414 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418933475 532881780 /nfs/dbraw/zinc/88/17/80/532881780.db2.gz JBJYCZZOZGTTQB-UHFFFAOYSA-N 1 0 394.313 2.058 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419574987 532882014 /nfs/dbraw/zinc/88/20/14/532882014.db2.gz SYKHLOWHLZGLMC-JHJVBQTASA-N 1 0 386.323 2.484 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419574994 532882325 /nfs/dbraw/zinc/88/23/25/532882325.db2.gz SYKHLOWHLZGLMC-YNEHKIRRSA-N 1 0 386.323 2.484 20 0 GEADRO C[C@@H](CNCc1nc2ccccn2c1Br)C[NH+]1CCN(C)CC1 ZINC000290478011 532882361 /nfs/dbraw/zinc/88/23/61/532882361.db2.gz VDORDDOGNZKZRG-AWEZNQCLSA-N 1 0 380.334 2.070 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1)C1CC1 ZINC000419874069 532883230 /nfs/dbraw/zinc/88/32/30/532883230.db2.gz VSAIRWCIVSQAPK-INIZCTEOSA-N 1 0 394.313 2.009 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000419887001 532883348 /nfs/dbraw/zinc/88/33/48/532883348.db2.gz PVEGNRXQWUMIKZ-OAHLLOKOSA-N 1 0 382.291 2.477 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000420457600 532883680 /nfs/dbraw/zinc/88/36/80/532883680.db2.gz HXUOINIWFGEERS-BLLLJJGKSA-N 1 0 386.901 2.279 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000420459379 532883750 /nfs/dbraw/zinc/88/37/50/532883750.db2.gz QXLRAEDSQYBVDY-GHMZBOCLSA-N 1 0 397.324 2.424 20 0 GEADRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)C(F)F ZINC000420456763 532883824 /nfs/dbraw/zinc/88/38/24/532883824.db2.gz GXFGXCIMKORMDK-MRVPVSSYSA-N 1 0 377.638 2.363 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420454605 532883832 /nfs/dbraw/zinc/88/38/32/532883832.db2.gz WEXXXJBYPRIPOI-JOYOIKCWSA-N 1 0 379.707 2.475 20 0 GEADRO C[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)Sc1ccc(Br)cc1 ZINC000417579252 532880343 /nfs/dbraw/zinc/88/03/43/532880343.db2.gz PFUJDERQNFFENK-AAEUAGOBSA-N 1 0 388.331 2.299 20 0 GEADRO C[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)Sc1ccc(Br)cc1 ZINC000417579254 532880365 /nfs/dbraw/zinc/88/03/65/532880365.db2.gz PFUJDERQNFFENK-WCQYABFASA-N 1 0 388.331 2.299 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC2CCC([NH3+])CC2)cc1Br ZINC000418412313 532880657 /nfs/dbraw/zinc/88/06/57/532880657.db2.gz XSXWJRJAEBWDCS-QQFBHYJXSA-N 1 0 398.345 2.478 20 0 GEADRO CCOc1c(Cl)cc(CN(CCOC)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000290440627 532880992 /nfs/dbraw/zinc/88/09/92/532880992.db2.gz LUQDIDJPGCDDJL-AWEZNQCLSA-N 1 0 391.917 2.383 20 0 GEADRO C[C@H](O)c1ncc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000290445882 532881233 /nfs/dbraw/zinc/88/12/33/532881233.db2.gz MBJOCPOUBIILTP-NWDGAFQWSA-N 1 0 387.552 2.201 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275919407 532885791 /nfs/dbraw/zinc/88/57/91/532885791.db2.gz UHAXFISSDDJSQV-LBPRGKRZSA-N 1 0 397.317 2.280 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000290666588 532886438 /nfs/dbraw/zinc/88/64/38/532886438.db2.gz OWKVYTORGFWPCY-UHFFFAOYSA-N 1 0 396.333 2.281 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CCC1 ZINC000275960234 532886530 /nfs/dbraw/zinc/88/65/30/532886530.db2.gz KKPWRRHGHSHTFO-CYBMUJFWSA-N 1 0 394.313 2.403 20 0 GEADRO CS[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@H]1[NH+]1CCCC1 ZINC000290699813 532887080 /nfs/dbraw/zinc/88/70/80/532887080.db2.gz LMRVRMFKOPUGQA-CHWSQXEVSA-N 1 0 376.448 2.249 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000420904239 532887140 /nfs/dbraw/zinc/88/71/40/532887140.db2.gz PESAKGNOZGCDFA-AWEZNQCLSA-N 1 0 383.945 2.396 20 0 GEADRO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000420934278 532887637 /nfs/dbraw/zinc/88/76/37/532887637.db2.gz GTVISBPFKLYBPL-NEPJUHHUSA-N 1 0 375.332 2.419 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCC1 ZINC000275885363 532884993 /nfs/dbraw/zinc/88/49/93/532884993.db2.gz RMTZIERISIBBSW-UHFFFAOYSA-N 1 0 375.803 2.480 20 0 GEADRO CCOC[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276140050 532889591 /nfs/dbraw/zinc/88/95/91/532889591.db2.gz NFDOPIRUPQZCPN-AWEZNQCLSA-N 1 0 390.318 2.428 20 0 GEADRO COC[C@H](O)CC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000360056858 532889586 /nfs/dbraw/zinc/88/95/86/532889586.db2.gz JAWAGXXORQABNZ-TZMCWYRMSA-N 1 0 391.249 2.492 20 0 GEADRO COCCOCCOCC[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000276134319 532889616 /nfs/dbraw/zinc/88/96/16/532889616.db2.gz DFQNMMDSECCOAH-HNNXBMFYSA-N 1 0 396.311 2.345 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Br)nc1 ZINC000290799471 532889675 /nfs/dbraw/zinc/88/96/75/532889675.db2.gz VIYDEGIHCCTRDN-GFCCVEGCSA-N 1 0 399.310 2.461 20 0 GEADRO CS(=O)(=O)CCCN1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000360246302 532889963 /nfs/dbraw/zinc/88/99/63/532889963.db2.gz LFWWXCXHLCKRIE-AWEZNQCLSA-N 1 0 389.315 2.287 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421307243 532890090 /nfs/dbraw/zinc/89/00/90/532890090.db2.gz XCFZGSDQVKOMEX-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO COc1cc(Br)c(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc1O ZINC000360670569 532890732 /nfs/dbraw/zinc/89/07/32/532890732.db2.gz IOMFHNYMRFGZSC-CYBMUJFWSA-N 1 0 385.302 2.317 20 0 GEADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000360852049 532891451 /nfs/dbraw/zinc/89/14/51/532891451.db2.gz UHMBKEUATYBFJA-WDEREUQCSA-N 1 0 378.420 2.167 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000276235575 532891677 /nfs/dbraw/zinc/89/16/77/532891677.db2.gz KEQSMDPBJUCPFY-UHFFFAOYSA-N 1 0 386.290 2.196 20 0 GEADRO O=C(NCc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000360977536 532891996 /nfs/dbraw/zinc/89/19/96/532891996.db2.gz SJZKJKQOMQIEEF-HZPDHXFCSA-N 1 0 382.302 2.190 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2Br)C1 ZINC000421321381 532890396 /nfs/dbraw/zinc/89/03/96/532890396.db2.gz DNOFCYOOCCSDPB-CQSZACIVSA-N 1 0 382.302 2.006 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423078508 532893253 /nfs/dbraw/zinc/89/32/53/532893253.db2.gz ORAYDMKRELHYEN-LBPRGKRZSA-N 1 0 380.290 2.141 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000423081505 532893662 /nfs/dbraw/zinc/89/36/62/532893662.db2.gz UZTHXQGHRKVOQT-HNNXBMFYSA-N 1 0 394.313 2.151 20 0 GEADRO COc1ccc(I)c(NC(=O)COC2CC[NH2+]CC2)c1 ZINC000423093891 532893707 /nfs/dbraw/zinc/89/37/07/532893707.db2.gz ANBZCVPZTXSAFP-UHFFFAOYSA-N 1 0 390.221 2.007 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423106238 532893914 /nfs/dbraw/zinc/89/39/14/532893914.db2.gz RFBMZIQRRXNYLA-GOSISDBHSA-N 1 0 394.313 2.010 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423106361 532893966 /nfs/dbraw/zinc/89/39/66/532893966.db2.gz RKIJMUYYMNYSDI-UKRRQHHQSA-N 1 0 396.329 2.241 20 0 GEADRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1c(Br)cncc1Br ZINC000290997272 532894032 /nfs/dbraw/zinc/89/40/32/532894032.db2.gz AMDLYGMXRVLAGD-UFBFGSQYSA-N 1 0 380.080 2.236 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C(C)C)C1 ZINC000423098439 532894137 /nfs/dbraw/zinc/89/41/37/532894137.db2.gz KYIRJHXSGWNENC-INIZCTEOSA-N 1 0 396.329 2.397 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423098033 532894282 /nfs/dbraw/zinc/89/42/82/532894282.db2.gz JSOPFFXTZZISFR-XJKSGUPXSA-N 1 0 396.329 2.382 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423102680 532894319 /nfs/dbraw/zinc/89/43/19/532894319.db2.gz OMMDQQWLWOPDPA-ZDUSSCGKSA-N 1 0 382.302 2.006 20 0 GEADRO C[C@@H]1CCN(C(=O)COc2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000424026244 532894647 /nfs/dbraw/zinc/89/46/47/532894647.db2.gz XGUJTBMAIJOLDR-NEPJUHHUSA-N 1 0 388.249 2.113 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CCCO1 ZINC000424017198 532894742 /nfs/dbraw/zinc/89/47/42/532894742.db2.gz GFFJYKOGRNJKTO-GFCCVEGCSA-N 1 0 379.258 2.029 20 0 GEADRO C[C@H]1CCN(C(=O)c2c(F)cccc2I)C[C@@H]1C[NH3+] ZINC000424019984 532894771 /nfs/dbraw/zinc/89/47/71/532894771.db2.gz SAWMYFPTJTWVPX-UWVGGRQHSA-N 1 0 376.213 2.487 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000424031094 532894813 /nfs/dbraw/zinc/89/48/13/532894813.db2.gz IPYKOIFNSXHUHU-UHFFFAOYSA-N 1 0 396.329 2.369 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000423071994 532892811 /nfs/dbraw/zinc/89/28/11/532892811.db2.gz ILJIBKAASGXAJP-AWEZNQCLSA-N 1 0 389.279 2.048 20 0 GEADRO [NH3+]CCCn1cc(C(=O)NCC2(c3ccc(Br)cc3)CCC2)nn1 ZINC000423064457 532893003 /nfs/dbraw/zinc/89/30/03/532893003.db2.gz ZCILXUOMYPNELC-UHFFFAOYSA-N 1 0 392.301 2.241 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)nn1 ZINC000423062427 532893004 /nfs/dbraw/zinc/89/30/04/532893004.db2.gz NALQDGIZYBVAHJ-HNNXBMFYSA-N 1 0 378.274 2.367 20 0 GEADRO O[C@]1(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)CCOC1 ZINC000362309098 532895285 /nfs/dbraw/zinc/89/52/85/532895285.db2.gz INQRKVICAPTVML-HIFRSBDPSA-N 1 0 389.233 2.246 20 0 GEADRO CSC1(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CCOCC1 ZINC000362302804 532895478 /nfs/dbraw/zinc/89/54/78/532895478.db2.gz FEYXZFOGISGDKE-UHFFFAOYSA-N 1 0 390.596 2.403 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 ZINC000362313915 532895632 /nfs/dbraw/zinc/89/56/32/532895632.db2.gz ALGLSUYLOMDPDQ-KGLIPLIRSA-N 1 0 379.306 2.330 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362397325 532895853 /nfs/dbraw/zinc/89/58/53/532895853.db2.gz RVMKAOJMKZUXAI-CJNGLKHVSA-N 1 0 389.924 2.126 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362397319 532895947 /nfs/dbraw/zinc/89/59/47/532895947.db2.gz RVMKAOJMKZUXAI-BBRMVZONSA-N 1 0 389.924 2.126 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(C(F)F)n1 ZINC000291070130 532895972 /nfs/dbraw/zinc/89/59/72/532895972.db2.gz RKMBANMVMYKGGD-GFCCVEGCSA-N 1 0 390.481 2.362 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291070283 532896069 /nfs/dbraw/zinc/89/60/69/532896069.db2.gz LOCSSUMBYGSJRU-LSDHHAIUSA-N 1 0 380.432 2.143 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424625921 532896276 /nfs/dbraw/zinc/89/62/76/532896276.db2.gz TXZHFOZNGIOOOU-UHFFFAOYSA-N 1 0 396.285 2.314 20 0 GEADRO C[C@H]([NH2+]C1CCN(Cc2cscn2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000362637664 532896654 /nfs/dbraw/zinc/89/66/54/532896654.db2.gz QVGGJXGUXRDMSE-ZDUSSCGKSA-N 1 0 380.539 2.106 20 0 GEADRO CC(C)(CNC(=O)CNC(=O)c1ccc(Br)o1)C[NH+]1CCCC1 ZINC000276680674 532899361 /nfs/dbraw/zinc/89/93/61/532899361.db2.gz FNFUTOHDGVEXDT-UHFFFAOYSA-N 1 0 386.290 2.010 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000363535407 532899342 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CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)cnc1Br ZINC000291978191 532911470 /nfs/dbraw/zinc/91/14/70/532911470.db2.gz FINVAGGTVLVIBM-LBPRGKRZSA-N 1 0 385.306 2.328 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC(F)(F)[C@H](CO)C1 ZINC000292008146 532911837 /nfs/dbraw/zinc/91/18/37/532911837.db2.gz XQTZLZKVXYUJOV-JTQLQIEISA-N 1 0 397.285 2.419 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366317935 532916211 /nfs/dbraw/zinc/91/62/11/532916211.db2.gz FGIWBDJDQNOCGZ-ONGXEEELSA-N 1 0 379.707 2.475 20 0 GEADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000292323913 532915351 /nfs/dbraw/zinc/91/53/51/532915351.db2.gz VZAGHURIJMFQJG-GWCFXTLKSA-N 1 0 386.290 2.085 20 0 GEADRO CN(C)[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccco1 ZINC000366267126 532915669 /nfs/dbraw/zinc/91/56/69/532915669.db2.gz ONRDNHZZEHVWBN-OAHLLOKOSA-N 1 0 383.539 2.387 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)N1CCCC[C@H]1CCS(C)(=O)=O)C(C)(C)C ZINC000366269009 532915693 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Cc1nn(C)c(CNC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1Br ZINC000366099797 532914368 /nfs/dbraw/zinc/91/43/68/532914368.db2.gz UNPOCBGMMNZWJP-CVEARBPZSA-N 1 0 393.329 2.216 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000366314669 532916255 /nfs/dbraw/zinc/91/62/55/532916255.db2.gz BRERYBSYSDYWMG-ABAIWWIYSA-N 1 0 387.299 2.024 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000366365485 532916699 /nfs/dbraw/zinc/91/66/99/532916699.db2.gz RJLOOUHBYLRRFW-GFCCVEGCSA-N 1 0 390.481 2.010 20 0 GEADRO COc1nc(N2CC[NH+](CCC3CCOCC3)CC2)ncc1Br ZINC000292550253 532916832 /nfs/dbraw/zinc/91/68/32/532916832.db2.gz HDWOHZFIUWXPIL-UHFFFAOYSA-N 1 0 385.306 2.186 20 0 GEADRO Cn1ncc(C(=O)NCc2ccccc2C[NH+](C)C)c1I ZINC000292661254 532917379 /nfs/dbraw/zinc/91/73/79/532917379.db2.gz CZQSIBDXRYXDJU-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1nc(C2CC2)ncc1Br ZINC000366459182 532917466 /nfs/dbraw/zinc/91/74/66/532917466.db2.gz 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UBQMUWXFNFYFND-ZJUUUORDSA-N 1 0 379.404 2.148 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000367375066 532924360 /nfs/dbraw/zinc/92/43/60/532924360.db2.gz PGRPSRWKAUJSFX-STQMWFEESA-N 1 0 383.880 2.046 20 0 GEADRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000367447354 532924696 /nfs/dbraw/zinc/92/46/96/532924696.db2.gz KHEUWIHWAVTKCV-KGLIPLIRSA-N 1 0 385.917 2.210 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000293287317 532924891 /nfs/dbraw/zinc/92/48/91/532924891.db2.gz VNOCDZKPYFCMAV-SNVBAGLBSA-N 1 0 386.290 2.019 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000293427843 532926828 /nfs/dbraw/zinc/92/68/28/532926828.db2.gz QZHVAFPTMVSVKS-KRWDZBQOSA-N 1 0 380.286 2.332 20 0 GEADRO C[C@@H]1CN(CC(=O)Nc2cccc(I)c2)C[C@H](C)[N@H+]1C ZINC000293432769 532926895 /nfs/dbraw/zinc/92/68/95/532926895.db2.gz NYSLEOXKGAADNW-TXEJJXNPSA-N 1 0 387.265 2.254 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000367804144 532927224 /nfs/dbraw/zinc/92/72/24/532927224.db2.gz XAORKBNCWQMHRT-ZWNOBZJWSA-N 1 0 377.279 2.269 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c(Cl)cc1Cl ZINC000367835610 532927699 /nfs/dbraw/zinc/92/76/99/532927699.db2.gz ZHQMXCDQRROBMH-CYBMUJFWSA-N 1 0 393.292 2.200 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000293561848 532928891 /nfs/dbraw/zinc/92/88/91/532928891.db2.gz BMMKABDRMXQDCW-UHFFFAOYSA-N 1 0 395.301 2.183 20 0 GEADRO O=C(NCCCCC[NH+]1CCCC1)C(=O)Nc1ccc(Br)cn1 ZINC000293591937 532929105 /nfs/dbraw/zinc/92/91/05/532929105.db2.gz DCWKABNRMOYUJM-UHFFFAOYSA-N 1 0 383.290 2.165 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)c1ccc2ncc(I)n2c1 ZINC000293659399 532929813 /nfs/dbraw/zinc/92/98/13/532929813.db2.gz LNNAFPQOBNCJQW-UHFFFAOYSA-N 1 0 386.237 2.186 20 0 GEADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000368373449 532931868 /nfs/dbraw/zinc/93/18/68/532931868.db2.gz GBIVFBJJUHWAGK-KKUMJFAQSA-N 1 0 388.270 2.414 20 0 GEADRO COCCC[N@@H+]1CCCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000368373480 532931893 /nfs/dbraw/zinc/93/18/93/532931893.db2.gz GHFMADWEBVPYSL-UHFFFAOYSA-N 1 0 397.317 2.301 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]c4ccc(Br)cc43)[C@H]2C1 ZINC000293820512 532931907 /nfs/dbraw/zinc/93/19/07/532931907.db2.gz GAVFEDXLKOQTNU-LSDHHAIUSA-N 1 0 393.285 2.261 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)cc1Cl ZINC000368428412 532932305 /nfs/dbraw/zinc/93/23/05/532932305.db2.gz FSGHSFAWHDPIBT-ZJUUUORDSA-N 1 0 393.292 2.295 20 0 GEADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368111120 532930217 /nfs/dbraw/zinc/93/02/17/532930217.db2.gz FRILYFUKSZPZPI-GHMZBOCLSA-N 1 0 376.254 2.384 20 0 GEADRO O=C(/C=C/c1ccc(I)o1)N1CCC2(CC[NH2+]C2)CC1 ZINC000293698809 532930481 /nfs/dbraw/zinc/93/04/81/532930481.db2.gz PUPRSWWNXOLDDQ-DUXPYHPUSA-N 1 0 386.233 2.500 20 0 GEADRO CC(C)[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)N1CCOCC1 ZINC000294033381 532934963 /nfs/dbraw/zinc/93/49/63/532934963.db2.gz HVPYCXQKWCMFCS-FUHWJXTLSA-N 1 0 398.345 2.096 20 0 GEADRO Cc1nc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000368487037 532932731 /nfs/dbraw/zinc/93/27/31/532932731.db2.gz GCTYATMBICLXHK-HNNXBMFYSA-N 1 0 380.539 2.057 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000368700797 532933858 /nfs/dbraw/zinc/93/38/58/532933858.db2.gz CALADMCCBHLRRG-UHFFFAOYSA-N 1 0 390.347 2.499 20 0 GEADRO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000368802372 532934673 /nfs/dbraw/zinc/93/46/73/532934673.db2.gz MEDCKVZJTPZMNB-KGLIPLIRSA-N 1 0 388.295 2.223 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000368965287 532936007 /nfs/dbraw/zinc/93/60/07/532936007.db2.gz SNPXMLLJNUXPRJ-KBPBESRZSA-N 1 0 384.318 2.165 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)[C@@H]1c1cccs1 ZINC000369573874 532940131 /nfs/dbraw/zinc/94/01/31/532940131.db2.gz PZUZMMZNUAEBCN-ZDFLXESQSA-N 1 0 379.551 2.311 20 0 GEADRO COCCC[N@@H+]1CCCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000369299075 532938239 /nfs/dbraw/zinc/93/82/39/532938239.db2.gz PKEVVOBIYYIDFZ-UHFFFAOYSA-N 1 0 399.333 2.095 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000369326533 532938291 /nfs/dbraw/zinc/93/82/91/532938291.db2.gz ITWFQVKBBSVUAF-MISXGVKJSA-N 1 0 389.880 2.185 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000294397283 532938744 /nfs/dbraw/zinc/93/87/44/532938744.db2.gz VTJCCGSZPQZKKW-UKRRQHHQSA-N 1 0 379.931 2.059 20 0 GEADRO C[N@@H+]1CC[C@@H](CNc2ncccc2S(N)(=O)=O)[C@H]1c1cccc(Cl)c1 ZINC000369356926 532938889 /nfs/dbraw/zinc/93/88/89/532938889.db2.gz ZZBBSUNQFRGAEN-XJKSGUPXSA-N 1 0 380.901 2.487 20 0 GEADRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000369364393 532939088 /nfs/dbraw/zinc/93/90/88/532939088.db2.gz RCTODAVNUZYFOI-USXIJHARSA-N 1 0 381.929 2.370 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3ccc(Br)s3)CC2)C1 ZINC000369360012 532939118 /nfs/dbraw/zinc/93/91/18/532939118.db2.gz UPFGTMYIIKGSLW-CYBMUJFWSA-N 1 0 386.359 2.292 20 0 GEADRO Cc1nc(C)c(S(=O)(=O)NC2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000370243663 532942696 /nfs/dbraw/zinc/94/26/96/532942696.db2.gz LVNGCFQSSXKMRK-UHFFFAOYSA-N 1 0 380.539 2.140 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000370461414 532943476 /nfs/dbraw/zinc/94/34/76/532943476.db2.gz DDJDLSGZXZPAQP-MLGOLLRUSA-N 1 0 396.333 2.475 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000369753889 532940729 /nfs/dbraw/zinc/94/07/29/532940729.db2.gz HKFXTUAOIFYRJX-NSHDSACASA-N 1 0 383.315 2.270 20 0 GEADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000369904822 532941203 /nfs/dbraw/zinc/94/12/03/532941203.db2.gz RDYMVIYASRBKKM-MRXNPFEDSA-N 1 0 387.343 2.190 20 0 GEADRO O=C(CNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)Nc1ccc(Br)cc1 ZINC000369968125 532941600 /nfs/dbraw/zinc/94/16/00/532941600.db2.gz WUHUEHACSWWULY-SWLSCSKDSA-N 1 0 380.286 2.378 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000370112045 532942242 /nfs/dbraw/zinc/94/22/42/532942242.db2.gz NIYMZWSRCYPKKG-CABZTGNLSA-N 1 0 379.707 2.475 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000370112044 532942290 /nfs/dbraw/zinc/94/22/90/532942290.db2.gz NIYMZWSRCYPKKG-BXKDBHETSA-N 1 0 379.707 2.475 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000370161630 532942368 /nfs/dbraw/zinc/94/23/68/532942368.db2.gz LDCLFPAFIRKOIH-AWEZNQCLSA-N 1 0 398.276 2.143 20 0 GEADRO Cn1cc([C@@H]2[C@H](CNC(=O)CSCc3cscn3)CCC[N@@H+]2C)cn1 ZINC000370823155 532945532 /nfs/dbraw/zinc/94/55/32/532945532.db2.gz GGCCMZOYXZVGQK-GUYCJALGSA-N 1 0 379.555 2.309 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(F)ccc1Cl ZINC000370848139 532945634 /nfs/dbraw/zinc/94/56/34/532945634.db2.gz XJSBDTWDZJFUKX-YUELXQCFSA-N 1 0 376.881 2.351 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)cc1F ZINC000370845591 532945667 /nfs/dbraw/zinc/94/56/67/532945667.db2.gz HKPZQIVDYGXHHY-YUELXQCFSA-N 1 0 376.881 2.351 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000371000199 532946358 /nfs/dbraw/zinc/94/63/58/532946358.db2.gz VBZNALKJMDKOFX-YHWZYXNKSA-N 1 0 386.901 2.278 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000371373900 532947826 /nfs/dbraw/zinc/94/78/26/532947826.db2.gz CGTMGNRPPXSPDR-RDJZCZTQSA-N 1 0 385.961 2.295 20 0 GEADRO C[NH+]1CCN(C[C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3F)C2)CC1 ZINC000371425982 532947941 /nfs/dbraw/zinc/94/79/41/532947941.db2.gz OABWBIFCNPQBJE-CQSZACIVSA-N 1 0 389.924 2.127 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@H]1c1nnc[nH]1 ZINC000371580397 532948755 /nfs/dbraw/zinc/94/87/55/532948755.db2.gz CYIYWNOWLADPLG-HUUCEWRRSA-N 1 0 392.301 2.261 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000371620028 532949092 /nfs/dbraw/zinc/94/90/92/532949092.db2.gz FKDMHXWKNLFNTH-OAHLLOKOSA-N 1 0 398.345 2.312 20 0 GEADRO COc1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)sc1Br ZINC000371162306 532947162 /nfs/dbraw/zinc/94/71/62/532947162.db2.gz AMXKURNWAZDVBR-MNOVXSKESA-N 1 0 389.315 2.190 20 0 GEADRO CSCCCCC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737180693 598832383 /nfs/dbraw/zinc/83/23/83/598832383.db2.gz HSJBPYQZWPVAKJ-UHFFFAOYSA-N 1 0 376.530 2.290 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000735733235 598848003 /nfs/dbraw/zinc/84/80/03/598848003.db2.gz GBCAENDZGXDZAE-LPHOPBHVSA-N 1 0 398.511 2.214 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc2ccccn2c1 ZINC000736766918 598905486 /nfs/dbraw/zinc/90/54/86/598905486.db2.gz JDYGGTGAYOLSMH-UHFFFAOYSA-N 1 0 389.463 2.323 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)C1 ZINC000736854161 598906582 /nfs/dbraw/zinc/90/65/82/598906582.db2.gz AHCXLFBNGSFNCI-HNNXBMFYSA-N 1 0 397.508 2.489 20 0 GEADRO O=C(CC[N@@H+](CCO)[C@H]1CCc2ccccc21)Nc1sccc1-c1nn[nH]n1 ZINC000737838333 598917206 /nfs/dbraw/zinc/91/72/06/598917206.db2.gz LZTRJGCMUGPQHP-INIZCTEOSA-N 1 0 398.492 2.239 20 0 GEADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737425872 598947529 /nfs/dbraw/zinc/94/75/29/598947529.db2.gz FSRBVFAEVYKQPL-HXUWFJFHSA-N 1 0 390.491 2.498 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc2c(c1)OCO2 ZINC000736130156 598959281 /nfs/dbraw/zinc/95/92/81/598959281.db2.gz GPGQDYRJMAWCHV-LRDDRELGSA-N 1 0 392.419 2.052 20 0 GEADRO c1csc(CC[NH+]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)c1 ZINC000738452618 598962922 /nfs/dbraw/zinc/96/29/22/598962922.db2.gz RKJDWDMSFZIIJZ-UHFFFAOYSA-N 1 0 392.492 2.236 20 0 GEADRO COCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccccc1 ZINC000736995530 598980214 /nfs/dbraw/zinc/98/02/14/598980214.db2.gz SNEFZVNZENNMIH-UHFFFAOYSA-N 1 0 383.452 2.403 20 0 GEADRO COc1cc(C[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc(OC)c1 ZINC000737044638 598985189 /nfs/dbraw/zinc/98/51/89/598985189.db2.gz AYQDFUSLHVEXFG-UHFFFAOYSA-N 1 0 399.451 2.403 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000737031315 598985787 /nfs/dbraw/zinc/98/57/87/598985787.db2.gz FNGNMKMMVMIYDJ-INIZCTEOSA-N 1 0 383.456 2.096 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737030808 598987225 /nfs/dbraw/zinc/98/72/25/598987225.db2.gz AHQOONQINVJDFL-KRWDZBQOSA-N 1 0 386.500 2.204 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000737032519 598988058 /nfs/dbraw/zinc/98/80/58/598988058.db2.gz LSWYJLRVDSVMDR-GOSISDBHSA-N 1 0 395.463 2.236 20 0 GEADRO CO[C@H](C)C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C(C)C ZINC000736959308 598993693 /nfs/dbraw/zinc/99/36/93/598993693.db2.gz AJIOUGAEEJLNKM-GFCCVEGCSA-N 1 0 392.529 2.491 20 0 GEADRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCCC2 ZINC000736612941 598994184 /nfs/dbraw/zinc/99/41/84/598994184.db2.gz RFNGKWOWABYIQE-MSOLQXFVSA-N 1 0 398.511 2.153 20 0 GEADRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCCC2 ZINC000736612944 598994296 /nfs/dbraw/zinc/99/42/96/598994296.db2.gz RFNGKWOWABYIQE-ZWKOTPCHSA-N 1 0 398.511 2.153 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C=Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000736615850 599017534 /nfs/dbraw/zinc/01/75/34/599017534.db2.gz OSIXFHMDUZVGEN-OJOVFHCLSA-N 1 0 398.511 2.133 20 0 GEADRO O=C(c1ccc(-c2nn[nH]n2)nc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000738260061 599029035 /nfs/dbraw/zinc/02/90/35/599029035.db2.gz YEFWDUXTQWDRCF-UHFFFAOYSA-N 1 0 391.479 2.042 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000735732926 599035186 /nfs/dbraw/zinc/03/51/86/599035186.db2.gz CQCQZMNRXGRZQJ-YJBOKZPZSA-N 1 0 386.500 2.070 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000737633807 599044889 /nfs/dbraw/zinc/04/48/89/599044889.db2.gz WGRJNJPUAUWMEN-LBPRGKRZSA-N 1 0 397.405 2.336 20 0 GEADRO C[NH+](C)C1(CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)Cc2ccccc2C1 ZINC000736760043 599084793 /nfs/dbraw/zinc/08/47/93/599084793.db2.gz OSYWWGXNCXCJBM-QXMHVHEDSA-N 1 0 388.475 2.095 20 0 GEADRO NC(=O)[C@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735976 599087412 /nfs/dbraw/zinc/08/74/12/599087412.db2.gz FXIJOMFMYASQEQ-OAHLLOKOSA-N 1 0 390.369 2.244 20 0 GEADRO NC(=O)[C@H]([NH2+]CCc1csc2ccccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736679 599092803 /nfs/dbraw/zinc/09/28/03/599092803.db2.gz KUOPNBHNAYVRHK-QGZVFWFLSA-N 1 0 378.461 2.440 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737732313 599094104 /nfs/dbraw/zinc/09/41/04/599094104.db2.gz YLFDZFZIMYGUMI-IPMKNSEASA-N 1 0 392.463 2.151 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000736616627 599103883 /nfs/dbraw/zinc/10/38/83/599103883.db2.gz UEDQBMSCNUODGF-YOEHRIQHSA-N 1 0 387.488 2.125 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 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/nfs/dbraw/zinc/29/13/33/599291333.db2.gz GNTSRHBCJFTBGR-GXSJLCMTSA-N 1 0 383.378 2.490 20 0 GEADRO FC(F)(F)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc1-c1nn[nH]n1 ZINC000822724057 607345193 /nfs/dbraw/zinc/34/51/93/607345193.db2.gz XNPVXBASLYUAIR-CYBMUJFWSA-N 1 0 382.390 2.187 20 0 GEADRO CCC(CC)C[N@H+](CC)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736338604 598233149 /nfs/dbraw/zinc/23/31/49/598233149.db2.gz YRYDJEBZVQKAGL-FQEVSTJZSA-N 1 0 399.499 2.349 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736569333 598238057 /nfs/dbraw/zinc/23/80/57/598238057.db2.gz GDSKSUQPTAOYOA-GOSISDBHSA-N 1 0 384.484 2.111 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000738388900 598253515 /nfs/dbraw/zinc/25/35/15/598253515.db2.gz UHFPWYWGHZHXHH-FUHWJXTLSA-N 1 0 383.427 2.235 20 0 GEADRO CC(C)COC(=O)N1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735838534 598254375 /nfs/dbraw/zinc/25/43/75/598254375.db2.gz FIVVLORGEYSFSV-UHFFFAOYSA-N 1 0 388.472 2.046 20 0 GEADRO C[C@@H](C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736235457 598260575 /nfs/dbraw/zinc/26/05/75/598260575.db2.gz BRCXXJHSVLQSDX-XHSDSOJGSA-N 1 0 398.511 2.498 20 0 GEADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000738146116 598266571 /nfs/dbraw/zinc/26/65/71/598266571.db2.gz PZAADJXHIFLJMS-GFCCVEGCSA-N 1 0 393.398 2.170 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735857758 598327497 /nfs/dbraw/zinc/32/74/97/598327497.db2.gz YKUPHTCKRHXNPK-UHFFFAOYSA-N 1 0 389.479 2.268 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736573166 598357867 /nfs/dbraw/zinc/35/78/67/598357867.db2.gz XSWGWSSQIYDWRY-MRXNPFEDSA-N 1 0 396.451 2.253 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736145934 598363714 /nfs/dbraw/zinc/36/37/14/598363714.db2.gz DSZPYLHLRMOBJE-IRXDYDNUSA-N 1 0 392.507 2.421 20 0 GEADRO C[C@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736288106 598364717 /nfs/dbraw/zinc/36/47/17/598364717.db2.gz QTYGVBKQGJRHBM-MGPUTAFESA-N 1 0 396.470 2.246 20 0 GEADRO Cc1cnn(CC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737444825 598367908 /nfs/dbraw/zinc/36/79/08/598367908.db2.gz PQERUULCWTWRGK-HNNXBMFYSA-N 1 0 394.483 2.111 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNc3ncc(-c4nn[nH]n4)cc3Cl)cn2)CC1 ZINC000736570130 598390974 /nfs/dbraw/zinc/39/09/74/598390974.db2.gz WFNWBUSYFLKDBN-UHFFFAOYSA-N 1 0 399.890 2.064 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000736635064 598416731 /nfs/dbraw/zinc/41/67/31/598416731.db2.gz SMWKTCNRRDNCLG-UHFFFAOYSA-N 1 0 377.518 2.140 20 0 GEADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736531371 598440492 /nfs/dbraw/zinc/44/04/92/598440492.db2.gz UXZGRWRIRDLIKE-UHFFFAOYSA-N 1 0 381.440 2.235 20 0 GEADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736557900 598454546 /nfs/dbraw/zinc/45/45/46/598454546.db2.gz DEZLXTYURIOGCL-UHFFFAOYSA-N 1 0 394.479 2.356 20 0 GEADRO Cc1occc1C(=O)NC1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737557486 598463031 /nfs/dbraw/zinc/46/30/31/598463031.db2.gz VAXFAEXSIVVLFF-UHFFFAOYSA-N 1 0 396.451 2.041 20 0 GEADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000737996851 598465454 /nfs/dbraw/zinc/46/54/54/598465454.db2.gz RBLPRGVBADNTSQ-SFHVURJKSA-N 1 0 377.452 2.219 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736253878 598472988 /nfs/dbraw/zinc/47/29/88/598472988.db2.gz WTASNPIJYIEEIB-STQMWFEESA-N 1 0 375.452 2.068 20 0 GEADRO O=C(NC1CC[NH+](CC2CC2)CC1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738025338 598478908 /nfs/dbraw/zinc/47/89/08/598478908.db2.gz NADOHBZZKJUKND-UHFFFAOYSA-N 1 0 395.511 2.415 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738099359 598484519 /nfs/dbraw/zinc/48/45/19/598484519.db2.gz DEIYVARXSQTPER-INIZCTEOSA-N 1 0 387.463 2.166 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000736855414 598497724 /nfs/dbraw/zinc/49/77/24/598497724.db2.gz GPMWDSAGCDTIMD-CQSZACIVSA-N 1 0 396.451 2.110 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000735905138 598514820 /nfs/dbraw/zinc/51/48/20/598514820.db2.gz FKGCGPBZZJJBIZ-HNNXBMFYSA-N 1 0 385.472 2.260 20 0 GEADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccnc1 ZINC000737194631 598516541 /nfs/dbraw/zinc/51/65/41/598516541.db2.gz PVSZPXZNDUAMLM-HNNXBMFYSA-N 1 0 394.483 2.096 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000735736188 598519219 /nfs/dbraw/zinc/51/92/19/598519219.db2.gz WQPAVBMKWDTSSI-SFHVURJKSA-N 1 0 386.500 2.213 20 0 GEADRO CCCn1nccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736501808 598527243 /nfs/dbraw/zinc/52/72/43/598527243.db2.gz GRAUWLJGNKLWGI-UHFFFAOYSA-N 1 0 397.487 2.069 20 0 GEADRO Clc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1Cl ZINC000737573234 598527894 /nfs/dbraw/zinc/52/78/94/598527894.db2.gz CSGKHWMGTYAKLN-SECBINFHSA-N 1 0 379.255 2.202 20 0 GEADRO Fc1ccc([C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCC2)cc1 ZINC000737652574 598529920 /nfs/dbraw/zinc/52/99/20/598529920.db2.gz VECBBFUIPGRXGO-YVEFUNNKSA-N 1 0 382.447 2.375 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736763523 598556067 /nfs/dbraw/zinc/55/60/67/598556067.db2.gz LUXABZDYUMZJSA-UHFFFAOYSA-N 1 0 398.467 2.356 20 0 GEADRO CNC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000736876675 598558180 /nfs/dbraw/zinc/55/81/80/598558180.db2.gz BENFYYLMMBISKI-UHFFFAOYSA-N 1 0 392.463 2.270 20 0 GEADRO CC(C)C(=O)NCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735684199 598559448 /nfs/dbraw/zinc/55/94/48/598559448.db2.gz CSLDVGPJIAGRAU-UHFFFAOYSA-N 1 0 394.479 2.308 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736532348 598560300 /nfs/dbraw/zinc/56/03/00/598560300.db2.gz BDBRKJBWCNXFSI-JTQLQIEISA-N 1 0 383.403 2.320 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000736170217 598568965 /nfs/dbraw/zinc/56/89/65/598568965.db2.gz OUIHFZZKLYCYTN-PBHICJAKSA-N 1 0 392.463 2.154 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000736170220 598569022 /nfs/dbraw/zinc/56/90/22/598569022.db2.gz OUIHFZZKLYCYTN-YOEHRIQHSA-N 1 0 392.463 2.154 20 0 GEADRO CC1CC[NH+](CCCNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736277463 598579671 /nfs/dbraw/zinc/57/96/71/598579671.db2.gz WVGRIWCRKHEZMW-LJQANCHMSA-N 1 0 397.527 2.074 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736267508 598594808 /nfs/dbraw/zinc/59/48/08/598594808.db2.gz SQLANFQYTPSNJW-GPMSIDNRSA-N 1 0 397.527 2.072 20 0 GEADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736456165 598595297 /nfs/dbraw/zinc/59/52/97/598595297.db2.gz DLMJYXDBPWEXLG-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736530313 598596517 /nfs/dbraw/zinc/59/65/17/598596517.db2.gz HRZHTXOQQICUDW-QFBILLFUSA-N 1 0 399.543 2.462 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736481505 598596611 /nfs/dbraw/zinc/59/66/11/598596611.db2.gz VBHOEZYCYSELDT-LJQANCHMSA-N 1 0 397.527 2.074 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736473422 598597213 /nfs/dbraw/zinc/59/72/13/598597213.db2.gz OILABDMJSIAAGB-IBGZPJMESA-N 1 0 399.543 2.464 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[nH]n4)cc3)s2)C1 ZINC000736756828 598617040 /nfs/dbraw/zinc/61/70/40/598617040.db2.gz MWIFHMKIHBDSGH-AWEZNQCLSA-N 1 0 398.496 2.082 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736764341 598650212 /nfs/dbraw/zinc/65/02/12/598650212.db2.gz PIMNGDGAMCVYOI-KRWDZBQOSA-N 1 0 382.493 2.378 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000736798833 598669857 /nfs/dbraw/zinc/66/98/57/598669857.db2.gz IKNBZWNGXVBZJZ-UHFFFAOYSA-N 1 0 396.451 2.207 20 0 GEADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1sccc1-c1nn[nH]n1 ZINC000738047789 598672954 /nfs/dbraw/zinc/67/29/54/598672954.db2.gz AZYVDYKSAHRPTE-OAHLLOKOSA-N 1 0 382.493 2.223 20 0 GEADRO Cc1nnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737519794 598674606 /nfs/dbraw/zinc/67/46/06/598674606.db2.gz DNKBKAIKZANSHK-KRWDZBQOSA-N 1 0 378.484 2.250 20 0 GEADRO Cc1nnc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c(-c2nn[nH]n2)c1C ZINC000737532739 598679958 /nfs/dbraw/zinc/67/99/58/598679958.db2.gz KHFJVXQCONEHIY-UHFFFAOYSA-N 1 0 394.483 2.360 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736003393 598682859 /nfs/dbraw/zinc/68/28/59/598682859.db2.gz XYEHGYKXEZGWIT-MRXNPFEDSA-N 1 0 386.500 2.406 20 0 GEADRO COc1ccc2c(c1)CCC[N@@H+](C[C@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000737120054 598684919 /nfs/dbraw/zinc/68/49/19/598684919.db2.gz YULZTRNXXINIBM-SFHVURJKSA-N 1 0 395.463 2.063 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000736849708 598685475 /nfs/dbraw/zinc/68/54/75/598685475.db2.gz WCMHFNIFUIVGRI-HNNXBMFYSA-N 1 0 392.463 2.127 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000737833675 598690829 /nfs/dbraw/zinc/69/08/29/598690829.db2.gz ZXZFKFZIAIDGBO-KRWDZBQOSA-N 1 0 384.484 2.016 20 0 GEADRO CC(C)(C)C[N@H+](CCCO)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000735605180 598701115 /nfs/dbraw/zinc/70/11/15/598701115.db2.gz RFPRBMYQEZIZKY-UHFFFAOYSA-N 1 0 380.880 2.189 20 0 GEADRO COc1ccc(C[N@H+](CCO)Cc2ccc(F)cc2-c2nn[nH]n2)c(OC)c1 ZINC000737091200 598710108 /nfs/dbraw/zinc/71/01/08/598710108.db2.gz QUMOZEJQSSELNG-UHFFFAOYSA-N 1 0 387.415 2.018 20 0 GEADRO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000737001940 598727754 /nfs/dbraw/zinc/72/77/54/598727754.db2.gz GLFVAYLIONYNNE-UHFFFAOYSA-N 1 0 385.399 2.383 20 0 GEADRO Fc1cc(-c2nn[nH]n2)cc(F)c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000737638939 598748007 /nfs/dbraw/zinc/74/80/07/598748007.db2.gz LKILYZIHACNXRU-UHFFFAOYSA-N 1 0 378.427 2.084 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736860801 598755813 /nfs/dbraw/zinc/75/58/13/598755813.db2.gz WNKQLDUEPWRKOO-MOPGFXCFSA-N 1 0 378.484 2.246 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736860804 598755927 /nfs/dbraw/zinc/75/59/27/598755927.db2.gz WNKQLDUEPWRKOO-RTBURBONSA-N 1 0 378.484 2.246 20 0 GEADRO NC(=O)c1cccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737761866 598765818 /nfs/dbraw/zinc/76/58/18/598765818.db2.gz UIYBXUKEEFIMAT-UHFFFAOYSA-N 1 0 378.436 2.009 20 0 GEADRO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000738302870 598777633 /nfs/dbraw/zinc/77/76/33/598777633.db2.gz OFILDYPBLCWTFG-INIZCTEOSA-N 1 0 379.468 2.096 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(Cl)cc2-c2nn[nH]n2)c1 ZINC000736770031 598795447 /nfs/dbraw/zinc/79/54/47/598795447.db2.gz XZQIGYSQDZYDOS-UHFFFAOYSA-N 1 0 399.886 2.424 20 0 GEADRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735587324 598796668 /nfs/dbraw/zinc/79/66/68/598796668.db2.gz UIEKUCOQDMUQSC-HNNXBMFYSA-N 1 0 386.500 2.120 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccnc1Cl ZINC000736767168 598805504 /nfs/dbraw/zinc/80/55/04/598805504.db2.gz MLWJZIFKDCJGPF-UHFFFAOYSA-N 1 0 385.859 2.119 20 0 GEADRO C[N@H+](CCN1CCN(Cc2cccc(-c3nn[nH]n3)c2)CC1)Cc1ccccc1 ZINC000736799611 598811624 /nfs/dbraw/zinc/81/16/24/598811624.db2.gz UGKVWGUYYQCCCX-UHFFFAOYSA-N 1 0 391.523 2.116 20 0 GEADRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736979320 598820743 /nfs/dbraw/zinc/82/07/43/598820743.db2.gz UGYVAFKQFMNREX-GFCCVEGCSA-N 1 0 378.864 2.207 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000823303405 599292777 /nfs/dbraw/zinc/29/27/77/599292777.db2.gz HYJKGVYICCBLDU-GFCCVEGCSA-N 1 0 393.373 2.364 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736279144 599318615 /nfs/dbraw/zinc/31/86/15/599318615.db2.gz VUPUNZWDOYVRQK-AWEZNQCLSA-N 1 0 396.451 2.253 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000738388849 599321306 /nfs/dbraw/zinc/32/13/06/599321306.db2.gz HSRLTDRTUNPELP-DLBZAZTESA-N 1 0 399.886 2.104 20 0 GEADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000736199245 599337954 /nfs/dbraw/zinc/33/79/54/599337954.db2.gz WTUDIMZXSFFFNK-INIZCTEOSA-N 1 0 380.500 2.221 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000735550212 599354058 /nfs/dbraw/zinc/35/40/58/599354058.db2.gz GEJBFSJAOJVHAU-STQMWFEESA-N 1 0 391.907 2.121 20 0 GEADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735966561 599356282 /nfs/dbraw/zinc/35/62/82/599356282.db2.gz UFJSYQFWWZYCJG-MRXNPFEDSA-N 1 0 382.472 2.298 20 0 GEADRO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000822327524 599392323 /nfs/dbraw/zinc/39/23/23/599392323.db2.gz HWNUYVUGBQILLR-CVEARBPZSA-N 1 0 394.479 2.409 20 0 GEADRO Clc1ccc(OCC[NH+]2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000737575642 599397227 /nfs/dbraw/zinc/39/72/27/599397227.db2.gz ZSSYPAZLLBAJTH-UHFFFAOYSA-N 1 0 385.859 2.116 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820704089 599417722 /nfs/dbraw/zinc/41/77/22/599417722.db2.gz LVJVRTQHWQHWLO-AWEZNQCLSA-N 1 0 389.479 2.460 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[NH+](C)C)cc1 ZINC000822231072 599436959 /nfs/dbraw/zinc/43/69/59/599436959.db2.gz ZCNXVISOBODLNX-GOSISDBHSA-N 1 0 397.458 2.416 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000821804805 599439545 /nfs/dbraw/zinc/43/95/45/599439545.db2.gz PFWWMDFUNBAQQC-CQSZACIVSA-N 1 0 388.472 2.364 20 0 GEADRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820259722 599445404 /nfs/dbraw/zinc/44/54/04/599445404.db2.gz BPHXORFXXKBEEQ-QGZVFWFLSA-N 1 0 377.496 2.167 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2=O)cc1-c1nn[nH]n1 ZINC000821804893 599452490 /nfs/dbraw/zinc/45/24/90/599452490.db2.gz QPNAOUYCZNOITQ-GOSISDBHSA-N 1 0 392.463 2.469 20 0 GEADRO Clc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc2c1OCCO2 ZINC000822567422 599453103 /nfs/dbraw/zinc/45/31/03/599453103.db2.gz BAXXFCLODMHPJH-UHFFFAOYSA-N 1 0 387.827 2.460 20 0 GEADRO COc1cc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c2ccccc2n1 ZINC000821717811 599454764 /nfs/dbraw/zinc/45/47/64/599454764.db2.gz ZMVZJMRESWPGJZ-UHFFFAOYSA-N 1 0 386.419 2.361 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738389415 599479293 /nfs/dbraw/zinc/47/92/93/599479293.db2.gz WVDRLZFHOJTANY-LPHOPBHVSA-N 1 0 397.454 2.310 20 0 GEADRO CN(C)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccc(F)c1 ZINC000736761868 599482437 /nfs/dbraw/zinc/48/24/37/599482437.db2.gz VFSQEWQCTSSWAX-KRWDZBQOSA-N 1 0 380.431 2.046 20 0 GEADRO c1coc([C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N2CCCCC2)c1 ZINC000738448286 599484254 /nfs/dbraw/zinc/48/42/54/599484254.db2.gz NJTAVRPYNJIFGI-QGZVFWFLSA-N 1 0 392.467 2.424 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CNC1CC[NH+](CC2CCCC2)CC1 ZINC000738421695 599487257 /nfs/dbraw/zinc/48/72/57/599487257.db2.gz TXJNGBRAJOGVBD-UHFFFAOYSA-N 1 0 380.500 2.259 20 0 GEADRO C[C@H](CC[NH+](C)C)Nc1c(-c2nn[nH]n2)cnc2ccc(OC(F)F)cc21 ZINC000820243156 599500521 /nfs/dbraw/zinc/50/05/21/599500521.db2.gz WTKMSIPKZSGIMJ-SNVBAGLBSA-N 1 0 377.399 2.190 20 0 GEADRO C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820397946 599516600 /nfs/dbraw/zinc/51/66/00/599516600.db2.gz XNTCQEAGBVSOBI-AWEZNQCLSA-N 1 0 380.452 2.298 20 0 GEADRO C[NH+](C)CCN1CCC(Nc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000736769416 599520318 /nfs/dbraw/zinc/52/03/18/599520318.db2.gz SCUANSWTHUDNDX-UHFFFAOYSA-N 1 0 383.422 2.323 20 0 GEADRO CC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC[N@@H+]1C[C@H](C)O ZINC000820993931 599530899 /nfs/dbraw/zinc/53/08/99/599530899.db2.gz CDDHAVXPIJBTTE-JKSUJKDBSA-N 1 0 395.511 2.313 20 0 GEADRO CC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC[N@@H+]1C[C@@H](C)O ZINC000820995797 599533675 /nfs/dbraw/zinc/53/36/75/599533675.db2.gz YIAPNIADUGFWLX-HUUCEWRRSA-N 1 0 381.484 2.005 20 0 GEADRO CCOCC[N@@H+]1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)C[C@H]1CC ZINC000821378877 599534372 /nfs/dbraw/zinc/53/43/72/599534372.db2.gz VSSUFSKAQXHGGF-OAHLLOKOSA-N 1 0 381.484 2.352 20 0 GEADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000821196608 599546091 /nfs/dbraw/zinc/54/60/91/599546091.db2.gz BWFYDCHPOTYJFE-QGZVFWFLSA-N 1 0 391.479 2.246 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000736169660 599554319 /nfs/dbraw/zinc/55/43/19/599554319.db2.gz MRCTZVTUTIIANG-WBVHZDCISA-N 1 0 384.484 2.111 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000736232592 599554481 /nfs/dbraw/zinc/55/44/81/599554481.db2.gz ZPDPPURAIXISSU-MAUKXSAKSA-N 1 0 391.479 2.387 20 0 GEADRO C[N@@H+]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736861269 599563159 /nfs/dbraw/zinc/56/31/59/599563159.db2.gz ZWSZBMGPMJJUMP-UHFFFAOYSA-N 1 0 377.452 2.388 20 0 GEADRO C[N@H+](CCNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)C1CC1 ZINC000736800635 599564852 /nfs/dbraw/zinc/56/48/52/599564852.db2.gz KUQPVWBDCHJMTN-UHFFFAOYSA-N 1 0 377.452 2.434 20 0 GEADRO C[C@@H](O)C[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)C1CCCCC1 ZINC000820480350 599572903 /nfs/dbraw/zinc/57/29/03/599572903.db2.gz KAOHTLQTBNVIAQ-CYBMUJFWSA-N 1 0 383.456 2.432 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000736181794 599575144 /nfs/dbraw/zinc/57/51/44/599575144.db2.gz APUIZCXLDXEJFP-OAHLLOKOSA-N 1 0 384.484 2.111 20 0 GEADRO c1cn(CN2CCC[C@@H]2C[NH+]2CCCC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738406292 599579882 /nfs/dbraw/zinc/57/98/82/599579882.db2.gz SZGGGMIICRQCFS-GOSISDBHSA-N 1 0 378.484 2.248 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000735560010 599588042 /nfs/dbraw/zinc/58/80/42/599588042.db2.gz BFBIUDYWICVAJQ-YJBOKZPZSA-N 1 0 383.500 2.144 20 0 GEADRO Cc1cc(Oc2ccc(-c3nn[nH]n3)cc2)ccc1NC(=O)[C@H]1CN(C)CCO1 ZINC000822211923 599697892 /nfs/dbraw/zinc/69/78/92/599697892.db2.gz UECNWFBOYSMMNH-GOSISDBHSA-N 1 0 394.435 2.237 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1-c1nn[nH]n1 ZINC000820166395 607427789 /nfs/dbraw/zinc/42/77/89/607427789.db2.gz YAOINLFSBYMLAQ-OAHLLOKOSA-N 1 0 385.472 2.260 20 0 GEADRO COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](C)C[NH+]1CCC3(C[C@H]3C(=O)[O-])CC1)CC2 ZINC000737580219 600209734 /nfs/dbraw/zinc/20/97/34/600209734.db2.gz MGSYNIUADGSSQG-ULQDDVLXSA-N 1 0 378.513 2.084 20 0 GEADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824776987 607429784 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606167244 /nfs/dbraw/zinc/16/72/44/606167244.db2.gz DSCFHKXXHVMPEX-UHFFFAOYSA-N 1 0 389.529 2.043 20 0 GEADRO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CCCOC3)C2)c(-c2nn[nH]n2)c1C ZINC000822542434 606178571 /nfs/dbraw/zinc/17/85/71/606178571.db2.gz XUBZAFWIHZMOAR-DJJJIMSYSA-N 1 0 388.472 2.296 20 0 GEADRO O=C(C[N@@H+]1CCSC2(CCCCC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000823002521 606186282 /nfs/dbraw/zinc/18/62/82/606186282.db2.gz ZQTRIFWQSHPWFJ-UHFFFAOYSA-N 1 0 386.525 2.235 20 0 GEADRO CC(C)([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000819988357 606186603 /nfs/dbraw/zinc/18/66/03/606186603.db2.gz YVPFGFHJQPEXRU-UHFFFAOYSA-N 1 0 389.456 2.304 20 0 GEADRO COC1CC[NH+](CCNc2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000821679810 606202165 /nfs/dbraw/zinc/20/21/65/606202165.db2.gz NJYDQXSBRZZXEA-UHFFFAOYSA-N 1 0 389.410 2.216 20 0 GEADRO c1csc([C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)N2CCOCC2)c1 ZINC000823816328 606207669 /nfs/dbraw/zinc/20/76/69/606207669.db2.gz TVUNHHUCNIPCSB-AWEZNQCLSA-N 1 0 376.511 2.153 20 0 GEADRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3nn[nH]n3)cn2C)c2cccs2)CC1 ZINC000820722261 606211929 /nfs/dbraw/zinc/21/19/29/606211929.db2.gz GPTSAYQJIYJDSL-INIZCTEOSA-N 1 0 399.524 2.470 20 0 GEADRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820426603 606221234 /nfs/dbraw/zinc/22/12/34/606221234.db2.gz LZIKGNVYHWSMHK-KSSFIOAISA-N 1 0 384.509 2.307 20 0 GEADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000822649439 606235288 /nfs/dbraw/zinc/23/52/88/606235288.db2.gz BFYKAQUYQQRASQ-UHFFFAOYSA-N 1 0 379.468 2.486 20 0 GEADRO CN1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1=O ZINC000821623147 606237908 /nfs/dbraw/zinc/23/79/08/606237908.db2.gz FAIIKPBHGSBRPG-IBGZPJMESA-N 1 0 392.463 2.156 20 0 GEADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc(-c4nn[nH]n4)cn3C)cc2)C1 ZINC000820710073 606280195 /nfs/dbraw/zinc/28/01/95/606280195.db2.gz NREKFOAHPVLATJ-OAHLLOKOSA-N 1 0 393.495 2.367 20 0 GEADRO Cc1cc(NC(=O)c2cc(-c3nn[nH]n3)cn2C)ccc1OCC[NH+]1CCCC1 ZINC000822208379 606289887 /nfs/dbraw/zinc/28/98/87/606289887.db2.gz PCBSCSNIFMOEGT-UHFFFAOYSA-N 1 0 395.467 2.241 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc2c(c1)OCO2 ZINC000820420962 606299613 /nfs/dbraw/zinc/29/96/13/606299613.db2.gz YQBZXSJOYMVRJP-ZWNOBZJWSA-N 1 0 398.448 2.113 20 0 GEADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821777599 606304092 /nfs/dbraw/zinc/30/40/92/606304092.db2.gz JJHMDMRVAVZFRO-ABAIWWIYSA-N 1 0 384.465 2.393 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1ccc(Cl)s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562149 606308609 /nfs/dbraw/zinc/30/86/09/606308609.db2.gz OIOLXBVPILHEAL-UHFFFAOYSA-N 1 0 383.886 2.145 20 0 GEADRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000820274568 606309127 /nfs/dbraw/zinc/30/91/27/606309127.db2.gz IBVKMWBLAGSALC-ZDUSSCGKSA-N 1 0 389.456 2.173 20 0 GEADRO C[C@@H](Cc1ccccc1F)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820299867 606309249 /nfs/dbraw/zinc/30/92/49/606309249.db2.gz LWFHCIHLGPBMQO-ZDUSSCGKSA-N 1 0 389.456 2.000 20 0 GEADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820643217 606335990 /nfs/dbraw/zinc/33/59/90/606335990.db2.gz SBXNFIRPTMJGFV-MOXGXCLJSA-N 1 0 379.464 2.484 20 0 GEADRO CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)CC1([NH+](C)C)CCC1 ZINC000445872437 649965301 /nfs/dbraw/zinc/96/53/01/649965301.db2.gz VCBGEKRNMWEWKH-UHFFFAOYSA-N 1 0 387.933 2.098 20 0 GEADRO C[NH+](C)C1(CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)Cc2ccccc2C1 ZINC000821581092 606346158 /nfs/dbraw/zinc/34/61/58/606346158.db2.gz CCDCBZAEVJALGD-UHFFFAOYSA-N 1 0 395.442 2.227 20 0 GEADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000823343664 606348573 /nfs/dbraw/zinc/34/85/73/606348573.db2.gz DBIQFHWVWLBKGU-UHFFFAOYSA-N 1 0 396.430 2.187 20 0 GEADRO CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)nc1 ZINC000821417563 606360817 /nfs/dbraw/zinc/36/08/17/606360817.db2.gz ORSCTGVRWVJYHV-UHFFFAOYSA-N 1 0 379.468 2.373 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC000821254215 606383975 /nfs/dbraw/zinc/38/39/75/606383975.db2.gz KGIQAIXSDXMMTI-IUODEOHRSA-N 1 0 375.452 2.020 20 0 GEADRO C[N@H+](CCNC(=S)Nc1ccccc1-c1nn[nH]n1)Cc1ccc(F)cc1 ZINC000821602893 606392032 /nfs/dbraw/zinc/39/20/32/606392032.db2.gz ZUXVSJUIBOXVNX-UHFFFAOYSA-N 1 0 385.472 2.424 20 0 GEADRO COc1ccc([C@H]2[C@@H](COC(=O)c3cc(-c4nn[nH]n4)cn3C)CC[N@@H+]2C)cc1 ZINC000821782268 606409216 /nfs/dbraw/zinc/40/92/16/606409216.db2.gz CJRFDBBCPIWMPZ-KDOFPFPSSA-N 1 0 396.451 2.064 20 0 GEADRO O=C(C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)Nc1ccc(Br)cc1 ZINC000823005381 606411889 /nfs/dbraw/zinc/41/18/89/606411889.db2.gz OUAPTTJGGLESJU-UHFFFAOYSA-N 1 0 393.270 2.419 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000821757412 606414636 /nfs/dbraw/zinc/41/46/36/606414636.db2.gz XCHDJRKNGHWUAZ-UHFFFAOYSA-N 1 0 393.451 2.434 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ncccc2-c2nn[nH]n2)cc1 ZINC000821189735 606432572 /nfs/dbraw/zinc/43/25/72/606432572.db2.gz RQPFPLLSOJIMQK-UHFFFAOYSA-N 1 0 381.440 2.126 20 0 GEADRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000820650970 606434198 /nfs/dbraw/zinc/43/41/98/606434198.db2.gz ZQFCVTNHFAKAJH-APPDUMDISA-N 1 0 378.502 2.034 20 0 GEADRO CCCCN(C(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000445887859 649966271 /nfs/dbraw/zinc/96/62/71/649966271.db2.gz SCJJOZUXZBXAOX-UONOGXRCSA-N 1 0 386.480 2.369 20 0 GEADRO COCCOC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821691843 606494982 /nfs/dbraw/zinc/49/49/82/606494982.db2.gz GTMBKFCCAWMJBG-UHFFFAOYSA-N 1 0 383.399 2.096 20 0 GEADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821596497 606578042 /nfs/dbraw/zinc/57/80/42/606578042.db2.gz LUCCLTMWJYHOBR-LJQANCHMSA-N 1 0 390.491 2.390 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820758904 606584078 /nfs/dbraw/zinc/58/40/78/606584078.db2.gz FSKIUFSGOIEELT-OXQOHEQNSA-N 1 0 390.491 2.436 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821587329 606586296 /nfs/dbraw/zinc/58/62/96/606586296.db2.gz RTALGEVVEMTXCO-UHFFFAOYSA-N 1 0 385.497 2.202 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1-c1nn[nH]n1 ZINC000821808440 606630313 /nfs/dbraw/zinc/63/03/13/606630313.db2.gz GRNSJOJMBIGTFE-MRXNPFEDSA-N 1 0 398.854 2.424 20 0 GEADRO Cc1nccn1C[C@H]1CCC[N@@H+]1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822478896 606632533 /nfs/dbraw/zinc/63/25/33/606632533.db2.gz VRXSPQXRRJAVSX-GOSISDBHSA-N 1 0 389.467 2.357 20 0 GEADRO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823454006 606687960 /nfs/dbraw/zinc/68/79/60/606687960.db2.gz IKDORDNIFDHZMI-GFCCVEGCSA-N 1 0 376.411 2.093 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821241165 606697353 /nfs/dbraw/zinc/69/73/53/606697353.db2.gz KJPGDLPMOICQLJ-RNCFNFMXSA-N 1 0 383.378 2.347 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820411868 606716204 /nfs/dbraw/zinc/71/62/04/606716204.db2.gz KAIPJJFWJYBJTQ-CEFQPYBMSA-N 1 0 390.875 2.394 20 0 GEADRO CCOC(=O)N1CCC([NH2+]CCSCc2ccccc2-c2nn[nH]n2)CC1 ZINC000821333867 606770460 /nfs/dbraw/zinc/77/04/60/606770460.db2.gz CEQIHIHWQWNNES-UHFFFAOYSA-N 1 0 390.513 2.310 20 0 GEADRO C[C@H]1CN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C[C@@H]1[NH+](C)C ZINC000820767079 606803197 /nfs/dbraw/zinc/80/31/97/606803197.db2.gz FWFCRTUZDJHWGH-BONVTDFDSA-N 1 0 389.410 2.403 20 0 GEADRO O[C@@H](C[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681931 606844693 /nfs/dbraw/zinc/84/46/93/606844693.db2.gz LLOROSYWCPHVDP-XBGMYJNYSA-N 1 0 390.491 2.231 20 0 GEADRO O[C@H](C[NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683107 606851906 /nfs/dbraw/zinc/85/19/06/606851906.db2.gz YRMLYCJAHOGSBA-VQTJNVASSA-N 1 0 378.480 2.327 20 0 GEADRO O[C@@H](C[NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683105 606851908 /nfs/dbraw/zinc/85/19/08/606851908.db2.gz YRMLYCJAHOGSBA-PMACEKPBSA-N 1 0 378.480 2.327 20 0 GEADRO O[C@H](C[NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683315 606857442 /nfs/dbraw/zinc/85/74/42/606857442.db2.gz ZSAXTTOAODTOAI-HXUWFJFHSA-N 1 0 396.470 2.293 20 0 GEADRO CCC[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000821040623 606861198 /nfs/dbraw/zinc/86/11/98/606861198.db2.gz NTPPKAROHAEVSI-XOBRGWDASA-N 1 0 397.483 2.103 20 0 GEADRO O=C(CC1CCCC1)NC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822940909 606861192 /nfs/dbraw/zinc/86/11/92/606861192.db2.gz JHEVMZWTVCWRJY-LJQANCHMSA-N 1 0 398.511 2.061 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820657174 606862483 /nfs/dbraw/zinc/86/24/83/606862483.db2.gz JZUHEHXNAYQIJJ-HNAYVOBHSA-N 1 0 391.479 2.329 20 0 GEADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000821702894 606872180 /nfs/dbraw/zinc/87/21/80/606872180.db2.gz FWTAZICVRRRRAS-UHFFFAOYSA-N 1 0 398.442 2.218 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000822723518 606877178 /nfs/dbraw/zinc/87/71/78/606877178.db2.gz HDVXEPRZLYZKRG-QWHCGFSZSA-N 1 0 397.405 2.336 20 0 GEADRO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000822004711 606883444 /nfs/dbraw/zinc/88/34/44/606883444.db2.gz KEWSXOJPVYWMHH-CQSZACIVSA-N 1 0 375.436 2.168 20 0 GEADRO COc1cc2c(cc1OC)CC[NH+](C[C@H](O)c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000821727572 606888010 /nfs/dbraw/zinc/88/80/10/606888010.db2.gz KPXUNXYQJSLLCD-SFHVURJKSA-N 1 0 395.463 2.018 20 0 GEADRO CCCCCC(=O)NC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821043945 606891917 /nfs/dbraw/zinc/89/19/17/606891917.db2.gz WENHAUZQPPZWJP-GOSISDBHSA-N 1 0 386.500 2.061 20 0 GEADRO CCOCC[N@@H+]1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)C[C@H]1CC ZINC000821378917 606895636 /nfs/dbraw/zinc/89/56/36/606895636.db2.gz XIKVNEMILMQIIT-GOSISDBHSA-N 1 0 388.516 2.068 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820759114 606902631 /nfs/dbraw/zinc/90/26/31/606902631.db2.gz HHLJUSHTPXNQGY-LAUBAEHRSA-N 1 0 392.507 2.497 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1-c1nn[nH]n1 ZINC000821988249 606914601 /nfs/dbraw/zinc/91/46/01/606914601.db2.gz DIOINEIDDBBPAO-BONVTDFDSA-N 1 0 399.524 2.074 20 0 GEADRO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821656144 606919063 /nfs/dbraw/zinc/91/90/63/606919063.db2.gz YOMMRUBQQOUYGU-OLMNPRSZSA-N 1 0 385.468 2.442 20 0 GEADRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821656145 606919193 /nfs/dbraw/zinc/91/91/93/606919193.db2.gz YOMMRUBQQOUYGU-QGTPRVQTSA-N 1 0 385.468 2.442 20 0 GEADRO OCC[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCc2ccccc21 ZINC000823722633 606927738 /nfs/dbraw/zinc/92/77/38/606927738.db2.gz VEDCOJOVYUYBHH-PMACEKPBSA-N 1 0 379.464 2.272 20 0 GEADRO O[C@@H](C[NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681519 606929057 /nfs/dbraw/zinc/92/90/57/606929057.db2.gz FSLNEVVLQVAYIJ-MOPGFXCFSA-N 1 0 375.436 2.128 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000820481355 606931898 /nfs/dbraw/zinc/93/18/98/606931898.db2.gz VHJGIKJNYJPAEB-LBPRGKRZSA-N 1 0 398.433 2.415 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000821586023 606967758 /nfs/dbraw/zinc/96/77/58/606967758.db2.gz GGAIPUBDUNPAEB-HNNXBMFYSA-N 1 0 393.442 2.128 20 0 GEADRO O=C(CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964436 606985567 /nfs/dbraw/zinc/98/55/67/606985567.db2.gz IQNFWEJFACTLGS-RHSMWYFYSA-N 1 0 396.451 2.376 20 0 GEADRO O=C(CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964438 606985826 /nfs/dbraw/zinc/98/58/26/606985826.db2.gz IQNFWEJFACTLGS-YOEHRIQHSA-N 1 0 396.451 2.376 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@@H]21 ZINC000821625372 607002719 /nfs/dbraw/zinc/00/27/19/607002719.db2.gz MCNWXGNPDBJPLA-HKUYNNGSSA-N 1 0 378.484 2.104 20 0 GEADRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1ccncc1 ZINC000820220389 607017917 /nfs/dbraw/zinc/01/79/17/607017917.db2.gz SWLKDQYQKZIEFQ-MRXNPFEDSA-N 1 0 393.495 2.346 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821065187 607024211 /nfs/dbraw/zinc/02/42/11/607024211.db2.gz GQSALYAIMGZPLL-UHFFFAOYSA-N 1 0 386.500 2.405 20 0 GEADRO COc1ccccc1C[C@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821889568 607046880 /nfs/dbraw/zinc/04/68/80/607046880.db2.gz COTTTYFGLXVZMQ-HNNXBMFYSA-N 1 0 393.495 2.460 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821181090 607050111 /nfs/dbraw/zinc/05/01/11/607050111.db2.gz KAEULSHAGYEZNI-HNNXBMFYSA-N 1 0 386.500 2.214 20 0 GEADRO 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O=C(COc1ccccc1-c1nn[nH]n1)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000826419103 608249120 /nfs/dbraw/zinc/24/91/20/608249120.db2.gz JEQJTBOEIPAHDG-AWEZNQCLSA-N 1 0 383.408 2.046 20 0 GEADRO CC(=O)N1CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)CC12CCCCC2 ZINC000823981048 608255217 /nfs/dbraw/zinc/25/52/17/608255217.db2.gz KGSOUGNFDLVSIX-UHFFFAOYSA-N 1 0 384.484 2.113 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000825444193 608255981 /nfs/dbraw/zinc/25/59/81/608255981.db2.gz JVRKPSXVRJQPPI-STQMWFEESA-N 1 0 391.907 2.263 20 0 GEADRO CC[C@H]1C[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)CCN1CC(F)F ZINC000825210189 608256805 /nfs/dbraw/zinc/25/68/05/608256805.db2.gz FULKONSLAJOSDB-HNNXBMFYSA-N 1 0 380.443 2.297 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000824598954 608279683 /nfs/dbraw/zinc/27/96/83/608279683.db2.gz KCFRXGCLPMHGSE-CYBMUJFWSA-N 1 0 378.436 2.115 20 0 GEADRO c1c2c(nc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c1-c1nn[nH]n1)CCCC2 ZINC000826512328 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CMIJTPJSIQQOMW-HNNXBMFYSA-N 1 0 389.467 2.464 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1-c1nn[nH]n1 ZINC000826332449 608317569 /nfs/dbraw/zinc/31/75/69/608317569.db2.gz UYNNBYOMSLSWNT-HRAATJIYSA-N 1 0 393.495 2.488 20 0 GEADRO O=C1[C@H]([N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476456 608326920 /nfs/dbraw/zinc/32/69/20/608326920.db2.gz IDFQQPUMLVBUNP-GPMSIDNRSA-N 1 0 396.495 2.111 20 0 GEADRO COc1ccccc1[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCC1 ZINC000826218525 608402294 /nfs/dbraw/zinc/40/22/94/608402294.db2.gz FMAVQWSGTFFDHG-MRXNPFEDSA-N 1 0 380.456 2.304 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000825220227 608409644 /nfs/dbraw/zinc/40/96/44/608409644.db2.gz QPYYQQUVWNLYGT-KGLIPLIRSA-N 1 0 389.529 2.042 20 0 GEADRO c1nnc([C@@H]2CCC[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)n1C1CC1 ZINC000826517858 608412858 /nfs/dbraw/zinc/41/28/58/608412858.db2.gz QXELJHBQNGYIND-MRXNPFEDSA-N 1 0 394.483 2.442 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C[N@@H+]1C1CC1 ZINC000824893250 608419328 /nfs/dbraw/zinc/41/93/28/608419328.db2.gz PTPCWQQESNABFU-KSSFIOAISA-N 1 0 393.495 2.291 20 0 GEADRO CC[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc(OC)cc1 ZINC000825139738 608426198 /nfs/dbraw/zinc/42/61/98/608426198.db2.gz HKSFENUNAJRVAC-SFHVURJKSA-N 1 0 380.452 2.232 20 0 GEADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(-n2cncn2)cc1 ZINC000824599896 608427287 /nfs/dbraw/zinc/42/72/87/608427287.db2.gz ULXPLRVENMKYCS-AWEZNQCLSA-N 1 0 376.424 2.177 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000826184051 608429493 /nfs/dbraw/zinc/42/94/93/608429493.db2.gz JFCJZRSIEKUMHN-GFCCVEGCSA-N 1 0 387.465 2.130 20 0 GEADRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000826283846 608429920 /nfs/dbraw/zinc/42/99/20/608429920.db2.gz CLEXMMRRVGTPKJ-HXUWFJFHSA-N 1 0 396.470 2.477 20 0 GEADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000824004658 608432832 /nfs/dbraw/zinc/43/28/32/608432832.db2.gz BXDMWJSIDTYNRU-LLVKDONJSA-N 1 0 397.439 2.324 20 0 GEADRO C[N@@H+]1CCC[C@H]1CCN1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000826034458 608449550 /nfs/dbraw/zinc/44/95/50/608449550.db2.gz RGRIUVZXWWFROJ-INIZCTEOSA-N 1 0 392.511 2.021 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000826184365 608459060 /nfs/dbraw/zinc/45/90/60/608459060.db2.gz UPOVIIPOYFTICB-UHFFFAOYSA-N 1 0 386.500 2.440 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CC1CCOCC1 ZINC000824044897 608459151 /nfs/dbraw/zinc/45/91/51/608459151.db2.gz APYJHGSEILDCBY-NSHDSACASA-N 1 0 378.864 2.206 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000824569823 608474464 /nfs/dbraw/zinc/47/44/64/608474464.db2.gz KKRSZOFYDPLCQZ-ACJLOTCBSA-N 1 0 394.435 2.208 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000824569021 608475933 /nfs/dbraw/zinc/47/59/33/608475933.db2.gz FWEYNYDFQUWUHK-LIRRHRJNSA-N 1 0 392.463 2.378 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824562063 608480232 /nfs/dbraw/zinc/48/02/32/608480232.db2.gz CKTUKZVAZMJXJM-DYVFJYSZSA-N 1 0 378.436 2.157 20 0 GEADRO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824585022 608480372 /nfs/dbraw/zinc/48/03/72/608480372.db2.gz LVMIPAQVPGXIIC-CYBMUJFWSA-N 1 0 376.420 2.204 20 0 GEADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824029188 608485875 /nfs/dbraw/zinc/48/58/75/608485875.db2.gz HBSROEYMSJLETG-SCLBCKFNSA-N 1 0 381.436 2.160 20 0 GEADRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826192569 608486503 /nfs/dbraw/zinc/48/65/03/608486503.db2.gz SNZVVWTYWQWZBT-CQSZACIVSA-N 1 0 380.452 2.185 20 0 GEADRO COc1cccc(COC[C@@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826216803 608486650 /nfs/dbraw/zinc/48/66/50/608486650.db2.gz NXTAAFZOMBGDLB-KSSFIOAISA-N 1 0 383.452 2.104 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824585469 608488431 /nfs/dbraw/zinc/48/84/31/608488431.db2.gz QQFWLJBIHGMHHN-UZLBHIALSA-N 1 0 378.480 2.418 20 0 GEADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826209591 608491337 /nfs/dbraw/zinc/49/13/37/608491337.db2.gz ITEXLLISZJVMGF-LBPRGKRZSA-N 1 0 382.424 2.173 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000824531872 608493601 /nfs/dbraw/zinc/49/36/01/608493601.db2.gz RDRDRZOIIZAYEA-WDEREUQCSA-N 1 0 392.423 2.126 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000826222339 608505690 /nfs/dbraw/zinc/50/56/90/608505690.db2.gz SVAKLJMHEOPGGX-JKSUJKDBSA-N 1 0 395.554 2.045 20 0 GEADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000826517662 608511894 /nfs/dbraw/zinc/51/18/94/608511894.db2.gz KWIQYGHMJKUIHR-ICSRJNTNSA-N 1 0 382.512 2.477 20 0 GEADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826412696 608526613 /nfs/dbraw/zinc/52/66/13/608526613.db2.gz ZOWGNACRSPWNLT-APWZRJJASA-N 1 0 378.436 2.173 20 0 GEADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000826412609 608526955 /nfs/dbraw/zinc/52/69/55/608526955.db2.gz VIVDYMKDYVULLQ-CJNGLKHVSA-N 1 0 384.465 2.234 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cccn2)c1 ZINC000824571479 608527385 /nfs/dbraw/zinc/52/73/85/608527385.db2.gz QUDNQQGGZSHPNV-AUUYWEPGSA-N 1 0 375.436 2.437 20 0 GEADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000824029600 608530553 /nfs/dbraw/zinc/53/05/53/608530553.db2.gz OGLWDNMAUMREEO-GOSISDBHSA-N 1 0 393.447 2.088 20 0 GEADRO CCc1ccc(CNC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000825711775 608531046 /nfs/dbraw/zinc/53/10/46/608531046.db2.gz FZJWWBRROLRXKO-UHFFFAOYSA-N 1 0 382.493 2.386 20 0 GEADRO COc1cccc(COC[C@@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826216918 608531062 /nfs/dbraw/zinc/53/10/62/608531062.db2.gz RVTOLXLEOGNHSU-SFHVURJKSA-N 1 0 395.463 2.032 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000826134134 608546449 /nfs/dbraw/zinc/54/64/49/608546449.db2.gz SOQURDCZEFWLIM-MRXNPFEDSA-N 1 0 393.447 2.441 20 0 GEADRO O=C(CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000826407706 608555770 /nfs/dbraw/zinc/55/57/70/608555770.db2.gz XHNVHSXOQUJWEY-UHFFFAOYSA-N 1 0 398.448 2.264 20 0 GEADRO CCCC[N@H+](CCCO)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825285380 608562558 /nfs/dbraw/zinc/56/25/58/608562558.db2.gz STLBTABZUKULBY-UHFFFAOYSA-N 1 0 392.529 2.230 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc([S@@](C)=O)cc1 ZINC000824530067 608579247 /nfs/dbraw/zinc/57/92/47/608579247.db2.gz JHHOOXRBHXRLRO-UFEGIJMPSA-N 1 0 398.492 2.282 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc([S@](C)=O)cc1 ZINC000824530070 608579336 /nfs/dbraw/zinc/57/93/36/608579336.db2.gz JHHOOXRBHXRLRO-ZBYRNGAHSA-N 1 0 398.492 2.282 20 0 GEADRO C[S@](=O)C[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826224781 608580345 /nfs/dbraw/zinc/58/03/45/608580345.db2.gz LOLFNZQMYQXOMI-CLYVBNDRSA-N 1 0 385.493 2.345 20 0 GEADRO COc1ccc([C@H](C)C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000826188100 608581125 /nfs/dbraw/zinc/58/11/25/608581125.db2.gz NOTLJUZEKYZRNX-OAHLLOKOSA-N 1 0 379.468 2.196 20 0 GEADRO O=C(CC[NH+]1CCC(c2cccnc2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407454 608584127 /nfs/dbraw/zinc/58/41/27/608584127.db2.gz NMSUXPVDXUSVFV-UHFFFAOYSA-N 1 0 377.452 2.470 20 0 GEADRO C[C@@H](NC(=O)c1cc[nH]c(=O)c1Br)C1([NH+]2CCOCC2)CCCC1 ZINC000446319985 649977558 /nfs/dbraw/zinc/97/75/58/649977558.db2.gz JKLALBYXAFCKSE-GFCCVEGCSA-N 1 0 398.301 2.313 20 0 GEADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000826456142 608661422 /nfs/dbraw/zinc/66/14/22/608661422.db2.gz RPCLXPQBIYEJRL-UHFFFAOYSA-N 1 0 378.436 2.423 20 0 GEADRO COc1ccc2c(c1)CCC[N@@H+](Cc1cnc3ccc(-c4nn[nH]n4)cn13)C2 ZINC000826213482 608677384 /nfs/dbraw/zinc/67/73/84/608677384.db2.gz YGCAZTVLYSKCQW-UHFFFAOYSA-N 1 0 375.436 2.471 20 0 GEADRO CC(C)n1ccnc1CN1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824377604 608685398 /nfs/dbraw/zinc/68/53/98/608685398.db2.gz IIDYIKZRBHRRKO-UHFFFAOYSA-N 1 0 386.529 2.414 20 0 GEADRO O[C@H](C[NH+]1CCC(CNc2cnccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000826502669 608782447 /nfs/dbraw/zinc/78/24/47/608782447.db2.gz IHVUERYZCXXKMV-LJQANCHMSA-N 1 0 379.468 2.119 20 0 GEADRO O[C@H](C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502352 608803631 /nfs/dbraw/zinc/80/36/31/608803631.db2.gz BMFIJGIUKADTML-FXAWDEMLSA-N 1 0 389.463 2.414 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824569851 609134717 /nfs/dbraw/zinc/13/47/17/609134717.db2.gz KNPRRBIHGODXAK-FZMZJTMJSA-N 1 0 375.379 2.235 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546504 609152876 /nfs/dbraw/zinc/15/28/76/609152876.db2.gz JNAONLYDQBKARQ-NOZJJQNGSA-N 1 0 386.353 2.210 20 0 GEADRO COc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1-c1nn[nH]n1 ZINC000826202576 609167917 /nfs/dbraw/zinc/16/79/17/609167917.db2.gz DWHJVJFMOGFJJW-UHFFFAOYSA-N 1 0 384.406 2.382 20 0 GEADRO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824402498 609168485 /nfs/dbraw/zinc/16/84/85/609168485.db2.gz WYKKQYRVLKXBQM-KDOFPFPSSA-N 1 0 384.484 2.157 20 0 GEADRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C(C)(C)O1 ZINC000824788600 609168756 /nfs/dbraw/zinc/16/87/56/609168756.db2.gz BOEJNQKZEBEVLX-HZPDHXFCSA-N 1 0 384.484 2.298 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000824885055 609215290 /nfs/dbraw/zinc/21/52/90/609215290.db2.gz QZOJAXIELVPFCG-PBHICJAKSA-N 1 0 379.468 2.320 20 0 GEADRO O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826398574 609223145 /nfs/dbraw/zinc/22/31/45/609223145.db2.gz ZMXOVZRLNNMGKM-LPHOPBHVSA-N 1 0 398.511 2.015 20 0 GEADRO C[C@H]1C[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000824875362 609228182 /nfs/dbraw/zinc/22/81/82/609228182.db2.gz MCIUJNDUSJMRNO-HOCLYGCPSA-N 1 0 379.468 2.225 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000446411220 649979996 /nfs/dbraw/zinc/97/99/96/649979996.db2.gz GAYJWYSQIFOFFF-GXTWGEPZSA-N 1 0 383.290 2.347 20 0 GEADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826160408 609253517 /nfs/dbraw/zinc/25/35/17/609253517.db2.gz QMZBSMANWGKFGW-ROUUACIJSA-N 1 0 386.500 2.011 20 0 GEADRO COc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1CO ZINC000826210001 609276839 /nfs/dbraw/zinc/27/68/39/609276839.db2.gz ACTWLRLNWQHNEC-UHFFFAOYSA-N 1 0 394.479 2.444 20 0 GEADRO C[C@H](NC(=O)COc1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824480133 609284893 /nfs/dbraw/zinc/28/48/93/609284893.db2.gz UGMKAWNURMMHPB-GJZGRUSLSA-N 1 0 384.484 2.015 20 0 GEADRO CSc1ccccc1C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000826231444 609295787 /nfs/dbraw/zinc/29/57/87/609295787.db2.gz LLAXBDGOLGTSBW-CYBMUJFWSA-N 1 0 382.497 2.089 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H](F)Cc1ccccc1 ZINC000825865793 609314440 /nfs/dbraw/zinc/31/44/40/609314440.db2.gz LEFPYIVTJDQYTM-IBGZPJMESA-N 1 0 396.470 2.338 20 0 GEADRO C[C@H](NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824522878 609316031 /nfs/dbraw/zinc/31/60/31/609316031.db2.gz WBZOVWRFGXHNPZ-NWDGAFQWSA-N 1 0 389.891 2.298 20 0 GEADRO C[C@@H](NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C1=CC[N@H+](C)CC1 ZINC000824489899 609316652 /nfs/dbraw/zinc/31/66/52/609316652.db2.gz NNRBDDDFSRDPBA-CQSZACIVSA-N 1 0 381.484 2.191 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824611608 609324795 /nfs/dbraw/zinc/32/47/95/609324795.db2.gz CJTSXHBWABMITK-CYBMUJFWSA-N 1 0 378.415 2.496 20 0 GEADRO CC(C)[NH+]1CCC(NCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824297166 609334980 /nfs/dbraw/zinc/33/49/80/609334980.db2.gz RCQWNYCPLMGYAL-UHFFFAOYSA-N 1 0 380.500 2.230 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](O)c2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360842 609336234 /nfs/dbraw/zinc/33/62/34/609336234.db2.gz AJFQFAKUWSCLBW-GOSISDBHSA-N 1 0 375.436 2.090 20 0 GEADRO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824228441 609340473 /nfs/dbraw/zinc/34/04/73/609340473.db2.gz IKNFGYCTPXPSHW-VQIMIIECSA-N 1 0 381.484 2.418 20 0 GEADRO Cc1cccc([C@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826297160 609343112 /nfs/dbraw/zinc/34/31/12/609343112.db2.gz XPAHCJGYTNFHIM-LJQANCHMSA-N 1 0 389.463 2.399 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825000522 609362081 /nfs/dbraw/zinc/36/20/81/609362081.db2.gz RQLKILULJQGJIH-SMDDNHRTSA-N 1 0 377.290 2.298 20 0 GEADRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000735588908 609438741 /nfs/dbraw/zinc/43/87/41/609438741.db2.gz GXSZRVCWPCRQBB-CYBMUJFWSA-N 1 0 392.529 2.132 20 0 GEADRO Cc1ccncc1C=CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826315369 609491113 /nfs/dbraw/zinc/49/11/13/609491113.db2.gz HNHABOWQAHYXJG-CMDGGOBGSA-N 1 0 391.479 2.174 20 0 GEADRO Cc1ccnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c1-c1nn[nH]n1 ZINC000826315145 609555304 /nfs/dbraw/zinc/55/53/04/609555304.db2.gz ZLCNGCXURCMOAY-LLVKDONJSA-N 1 0 383.485 2.115 20 0 GEADRO c1c2c(nc(N3CCC(CCC[NH+]4CCOCC4)CC3)c1-c1nn[nH]n1)CCC2 ZINC000826512189 609559845 /nfs/dbraw/zinc/55/98/45/609559845.db2.gz ROUZVTRUZOWCAT-UHFFFAOYSA-N 1 0 397.527 2.079 20 0 GEADRO O=C1[C@@H](Nc2cc[nH+]c3ccccc23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477395 609578039 /nfs/dbraw/zinc/57/80/39/609578039.db2.gz BVSHPBADZXDXRF-IBGZPJMESA-N 1 0 385.431 2.444 20 0 GEADRO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCO1 ZINC000825182944 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CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000447403347 650006359 /nfs/dbraw/zinc/00/63/59/650006359.db2.gz DXYKOQFPULSVFQ-HZPDHXFCSA-N 1 0 383.330 2.279 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000447423410 650006431 /nfs/dbraw/zinc/00/64/31/650006431.db2.gz QVSGKDIEYNWTAR-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000448278571 650014797 /nfs/dbraw/zinc/01/47/97/650014797.db2.gz NCJCETQAAMKNFQ-NWDGAFQWSA-N 1 0 394.107 2.423 20 0 GEADRO CC[NH+](CC)CCCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000448564593 650016751 /nfs/dbraw/zinc/01/67/51/650016751.db2.gz KUIIJHINLIBNII-UHFFFAOYSA-N 1 0 380.290 2.492 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2c(Br)cccc2cn1 ZINC000448929958 650025932 /nfs/dbraw/zinc/02/59/32/650025932.db2.gz OEMZILSDSKGQNC-ZDUSSCGKSA-N 1 0 391.313 2.363 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[N@H+](C)CC[C@H]1C ZINC000449015248 650029672 /nfs/dbraw/zinc/02/96/72/650029672.db2.gz 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650035796 /nfs/dbraw/zinc/03/57/96/650035796.db2.gz RAUGLSFHEXXZMX-UHFFFAOYSA-N 1 0 378.673 2.219 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000449252843 650036003 /nfs/dbraw/zinc/03/60/03/650036003.db2.gz TXBUXFCBTSEARM-SWLSCSKDSA-N 1 0 399.285 2.031 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000449345009 650038874 /nfs/dbraw/zinc/03/88/74/650038874.db2.gz TUZYXJXQXYAMDO-HZSPNIEDSA-N 1 0 398.345 2.487 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000449321195 650038231 /nfs/dbraw/zinc/03/82/31/650038231.db2.gz LDIJIBIXUUYRML-GFCCVEGCSA-N 1 0 379.295 2.492 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cnn(C)c1C ZINC000449684108 650045322 /nfs/dbraw/zinc/04/53/22/650045322.db2.gz QRAIHKGRVXXGFU-CYBMUJFWSA-N 1 0 382.302 2.440 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000449440234 650040739 /nfs/dbraw/zinc/04/07/39/650040739.db2.gz BBBZHSBJMMIVJD-CMPLNLGQSA-N 1 0 381.311 2.437 20 0 GEADRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000449464349 650041346 /nfs/dbraw/zinc/04/13/46/650041346.db2.gz ZIIKKZAXKQCQPQ-LRDDRELGSA-N 1 0 381.274 2.171 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ncc(C)n1C ZINC000449686269 650045643 /nfs/dbraw/zinc/04/56/43/650045643.db2.gz XUVIQGKRJUNCQU-CYBMUJFWSA-N 1 0 382.302 2.440 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2nccnc2OC)cc1Br ZINC000449597730 650043181 /nfs/dbraw/zinc/04/31/81/650043181.db2.gz GHESTXNCRWIWRR-ZDUSSCGKSA-N 1 0 396.285 2.197 20 0 GEADRO CCOC(=O)C1CCC([NH2+]Cc2nn(C)cc2I)CC1 ZINC000449604080 650043948 /nfs/dbraw/zinc/04/39/48/650043948.db2.gz JDUIVQISPZVIAF-UHFFFAOYSA-N 1 0 391.253 2.236 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449700375 650046425 /nfs/dbraw/zinc/04/64/25/650046425.db2.gz RCEWOLMSMDWMNP-RISCZKNCSA-N 1 0 382.302 2.072 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000449699393 650046441 /nfs/dbraw/zinc/04/64/41/650046441.db2.gz QLRCNTRPEUAHKW-WFASDCNBSA-N 1 0 394.313 2.306 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(Cc3ccc(F)cc3Br)CC2)CCN1 ZINC000449705745 650046696 /nfs/dbraw/zinc/04/66/96/650046696.db2.gz ZCOQATJFZZPPPW-HNNXBMFYSA-N 1 0 384.293 2.375 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000449707581 650046943 /nfs/dbraw/zinc/04/69/43/650046943.db2.gz RTKOUXUYHOCZQV-GFCCVEGCSA-N 1 0 398.248 2.285 20 0 GEADRO Cc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000449717715 650047394 /nfs/dbraw/zinc/04/73/94/650047394.db2.gz NSPCAUGPPYSLIK-AAEUAGOBSA-N 1 0 378.274 2.195 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2=O)ccc1Br ZINC000449715258 650047422 /nfs/dbraw/zinc/04/74/22/650047422.db2.gz IQCHHKAVEPERIG-MJBXVCDLSA-N 1 0 394.313 2.354 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449719091 650047780 /nfs/dbraw/zinc/04/77/80/650047780.db2.gz GYHZONOQVZATLC-STQMWFEESA-N 1 0 379.810 2.490 20 0 GEADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000449757229 650049086 /nfs/dbraw/zinc/04/90/86/650049086.db2.gz XVIIICFFOBWGLQ-KGLIPLIRSA-N 1 0 380.286 2.059 20 0 GEADRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000449754610 650049157 /nfs/dbraw/zinc/04/91/57/650049157.db2.gz MFCCGHOTQYKTGQ-DOMZBBRYSA-N 1 0 382.302 2.029 20 0 GEADRO CC(C)[C@H](CNc1ncnc2cc(Br)ccc21)[NH+]1CCN(C)CC1 ZINC000450240810 650062513 /nfs/dbraw/zinc/06/25/13/650062513.db2.gz HPHNLTOTMORRCB-KRWDZBQOSA-N 1 0 392.345 3.076 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNc2ncnc3cc(Br)ccc32)CC1 ZINC000450324974 650063879 /nfs/dbraw/zinc/06/38/79/650063879.db2.gz BMGNVTXZBGEFMX-CQSZACIVSA-N 1 0 379.302 2.897 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cccc(SC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000450374750 650064393 /nfs/dbraw/zinc/06/43/93/650064393.db2.gz FPDZQDBMEWUGJS-INIZCTEOSA-N 1 0 384.567 2.380 20 0 GEADRO CS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c(C(F)(F)F)c1 ZINC000450587947 650067624 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CC(C)[C@H](CNS(=O)(=O)Cc1c(F)cccc1Cl)N1CC[NH+](C)CC1 ZINC000451241210 650097405 /nfs/dbraw/zinc/09/74/05/650097405.db2.gz GAGSMSXXOBKPDU-KRWDZBQOSA-N 1 0 391.940 2.171 20 0 GEADRO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000451251089 650098191 /nfs/dbraw/zinc/09/81/91/650098191.db2.gz FFFFUBXNHWTEML-SGIREYDYSA-N 1 0 376.266 2.421 20 0 GEADRO CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451194798 650095478 /nfs/dbraw/zinc/09/54/78/650095478.db2.gz SGCNYNUBNWHECT-ZBFHGGJFSA-N 1 0 387.261 2.496 20 0 GEADRO COC[C@@]1(C(=O)OC)CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000451327584 650104042 /nfs/dbraw/zinc/10/40/42/650104042.db2.gz HQGCAQGWRFDYOV-CXAGYDPISA-N 1 0 392.279 2.245 20 0 GEADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2c(F)cccc2Cl)CCCO1 ZINC000451463289 650117270 /nfs/dbraw/zinc/11/72/70/650117270.db2.gz MUIIIPYGTQZNEP-ZDUSSCGKSA-N 1 0 378.897 2.399 20 0 GEADRO C[C@@H]1CN(Cc2cc3c(cc2Br)OCCCO3)C[C@H](C)[N@H+]1CCO ZINC000451669178 650131388 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0 GEADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000452079896 650171411 /nfs/dbraw/zinc/17/14/11/650171411.db2.gz GIKJOEVBIXGPCM-UHFFFAOYSA-N 1 0 381.420 2.175 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000452082209 650171740 /nfs/dbraw/zinc/17/17/40/650171740.db2.gz JOQOCBRLJFAMMQ-UHFFFAOYSA-N 1 0 389.319 2.087 20 0 GEADRO C[NH+](C)Cc1ccc(C(=O)NCCn2cc(Br)ccc2=O)cc1 ZINC000452303781 650179072 /nfs/dbraw/zinc/17/90/72/650179072.db2.gz ZXVSKGCAJKRULZ-UHFFFAOYSA-N 1 0 378.270 2.102 20 0 GEADRO O=C(CCc1cc(F)ccc1Br)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452377241 650182920 /nfs/dbraw/zinc/18/29/20/650182920.db2.gz MBWRDFNNZOUCNY-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)C1(c2ccccc2Br)CC1 ZINC000452380260 650183466 /nfs/dbraw/zinc/18/34/66/650183466.db2.gz FPAPFPHVYAAZIV-CQSZACIVSA-N 1 0 381.314 2.444 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(F)c(F)cc1Br ZINC000452387535 650183628 /nfs/dbraw/zinc/18/36/28/650183628.db2.gz HIWKOGGBRBJKGT-SNVBAGLBSA-N 1 0 377.229 2.304 20 0 GEADRO O=C(CCc1cc(Br)cs1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452389951 650183691 /nfs/dbraw/zinc/18/36/91/650183691.db2.gz NDKPMICFGSKKQK-ZDUSSCGKSA-N 1 0 375.332 2.406 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(F)c(F)cc1Br ZINC000452387534 650183902 /nfs/dbraw/zinc/18/39/02/650183902.db2.gz HIWKOGGBRBJKGT-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452395974 650184125 /nfs/dbraw/zinc/18/41/25/650184125.db2.gz XNWALGWDZSXJLS-NSHDSACASA-N 1 0 391.331 2.404 20 0 GEADRO C[N@H+](C[C@H](O)CN1C(=O)C[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000453025283 650204131 /nfs/dbraw/zinc/20/41/31/650204131.db2.gz DNFXVEKHFYLNHZ-SCLBCKFNSA-N 1 0 385.291 2.465 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[S@@](=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000453045685 650205122 /nfs/dbraw/zinc/20/51/22/650205122.db2.gz ZIEWMHSSPOBVDS-PPWXJAPKSA-N 1 0 399.354 2.499 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)Cc2cnccn2)s1 ZINC000453104247 650205643 /nfs/dbraw/zinc/20/56/43/650205643.db2.gz FHWAABFNDCKZEL-AWEZNQCLSA-N 1 0 382.555 2.332 20 0 GEADRO COC1([C@@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CCOCC1 ZINC000453211010 650206976 /nfs/dbraw/zinc/20/69/76/650206976.db2.gz KKSLFOJEOKSYNS-CQSZACIVSA-N 1 0 390.933 2.182 20 0 GEADRO C[C@H](Cc1cnccn1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000453208678 650207038 /nfs/dbraw/zinc/20/70/38/650207038.db2.gz JQRNNEOMGRDANJ-LLVKDONJSA-N 1 0 396.232 2.241 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000453343296 650208182 /nfs/dbraw/zinc/20/81/82/650208182.db2.gz DIFSTRGNVBSKBB-DZGCQCFKSA-N 1 0 390.343 2.075 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000453343297 650208282 /nfs/dbraw/zinc/20/82/82/650208282.db2.gz DIFSTRGNVBSKBB-HIFRSBDPSA-N 1 0 390.343 2.075 20 0 GEADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000453364637 650208498 /nfs/dbraw/zinc/20/84/98/650208498.db2.gz LLQMGHCSKAYTKS-WFASDCNBSA-N 1 0 385.281 2.399 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000453570270 650209262 /nfs/dbraw/zinc/20/92/62/650209262.db2.gz DLTCPRXHLQWLQD-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO CCCNC(=O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000453573037 650209308 /nfs/dbraw/zinc/20/93/08/650209308.db2.gz HVHASGRSQCEUQE-LBPRGKRZSA-N 1 0 397.317 2.054 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12)[NH+](C)C ZINC000453602248 650209768 /nfs/dbraw/zinc/20/97/68/650209768.db2.gz SQIFVVCMVVLBJJ-JTQLQIEISA-N 1 0 379.258 2.002 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(C)ccc(F)c2Br)C1 ZINC000453599179 650209862 /nfs/dbraw/zinc/20/98/62/650209862.db2.gz CFALZVNRNHBGLV-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000453642830 650211605 /nfs/dbraw/zinc/21/16/05/650211605.db2.gz ZEIWGFKGBNEOHJ-OAHLLOKOSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000453664983 650213883 /nfs/dbraw/zinc/21/38/83/650213883.db2.gz VIOFLWSYGSSEOC-LBPRGKRZSA-N 1 0 396.260 2.308 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000453696947 650216870 /nfs/dbraw/zinc/21/68/70/650216870.db2.gz MGIYMMUKVSPKML-UHFFFAOYSA-N 1 0 386.677 2.419 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000453742775 650221833 /nfs/dbraw/zinc/22/18/33/650221833.db2.gz KWAMUYDLBXBBQS-SMDDNHRTSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)[NH+](C)C ZINC000453958270 650240129 /nfs/dbraw/zinc/24/01/29/650240129.db2.gz VWPMYVHRPIXWSF-VIFPVBQESA-N 1 0 381.782 2.286 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454025877 650246854 /nfs/dbraw/zinc/24/68/54/650246854.db2.gz VVPVGIYAHZBHSG-UHFFFAOYSA-N 1 0 395.301 2.224 20 0 GEADRO COc1ccccc1Nc1nnc(SCC(=O)NCCC[NH+](C)C)s1 ZINC000535516411 650249120 /nfs/dbraw/zinc/24/91/20/650249120.db2.gz KFJOZELKYTZQFF-UHFFFAOYSA-N 1 0 381.527 2.450 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000454086653 650251553 /nfs/dbraw/zinc/25/15/53/650251553.db2.gz GMAIAPALZUXBBP-LBPRGKRZSA-N 1 0 383.290 2.032 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000454103647 650253373 /nfs/dbraw/zinc/25/33/73/650253373.db2.gz PUQCUMMOIFXPGC-ZDUSSCGKSA-N 1 0 398.301 2.337 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)n1 ZINC000454222170 650259118 /nfs/dbraw/zinc/25/91/18/650259118.db2.gz VSKOQGXCUFGTOC-UHFFFAOYSA-N 1 0 380.290 2.244 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2nn(C)cc2Br)C1 ZINC000454395238 650265334 /nfs/dbraw/zinc/26/53/34/650265334.db2.gz XNCWPMNBRYZTFS-LBPRGKRZSA-N 1 0 386.338 2.492 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@H]1CS(C)(=O)=O)CC(C)C ZINC000454622258 650273622 /nfs/dbraw/zinc/27/36/22/650273622.db2.gz QWSZETAQUHLAQE-IRXDYDNUSA-N 1 0 375.579 2.352 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000454640147 650274261 /nfs/dbraw/zinc/27/42/61/650274261.db2.gz JHOWQQJPFAWVGV-UKRRQHHQSA-N 1 0 387.933 2.286 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000454659806 650274974 /nfs/dbraw/zinc/27/49/74/650274974.db2.gz RXVRYJPUBSWSCV-CYBMUJFWSA-N 1 0 389.327 2.307 20 0 GEADRO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1Br ZINC000454771063 650277824 /nfs/dbraw/zinc/27/78/24/650277824.db2.gz DYDPFJDMECAQCJ-CYBMUJFWSA-N 1 0 386.290 2.426 20 0 GEADRO COc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1Br ZINC000454938853 650284151 /nfs/dbraw/zinc/28/41/51/650284151.db2.gz TUGOYGUGBSSXER-ZDUSSCGKSA-N 1 0 386.290 2.426 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1nn(C)cc1Br ZINC000455185259 650294071 /nfs/dbraw/zinc/29/40/71/650294071.db2.gz HAUGZIBBHGTNCF-ZDUSSCGKSA-N 1 0 386.338 2.492 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](c2nccs2)C(F)(F)F)C1 ZINC000455663148 650312031 /nfs/dbraw/zinc/31/20/31/650312031.db2.gz ROCSLNPLWVTAAP-VXGBXAGGSA-N 1 0 380.436 2.403 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000455691397 650312929 /nfs/dbraw/zinc/31/29/29/650312929.db2.gz ZNJBDGMWWKHJQU-NEPJUHHUSA-N 1 0 380.436 2.465 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000455699893 650313129 /nfs/dbraw/zinc/31/31/29/650313129.db2.gz JZRLTSRWTWRSKG-NEPJUHHUSA-N 1 0 380.436 2.153 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000455702585 650313312 /nfs/dbraw/zinc/31/33/12/650313312.db2.gz OYVLBZPXLFFNDM-UHFFFAOYSA-N 1 0 379.452 2.395 20 0 GEADRO O=C(c1ccc(I)cn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000455718728 650314168 /nfs/dbraw/zinc/31/41/68/650314168.db2.gz BXOMWAORJPCCCU-LBPRGKRZSA-N 1 0 385.249 2.244 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc3cc(Br)ccn3n2)C[C@H]1C ZINC000455856721 650321995 /nfs/dbraw/zinc/32/19/95/650321995.db2.gz HHRXXZXZEWSEPD-DGCLKSJQSA-N 1 0 395.305 2.828 20 0 GEADRO CC[C@H]1CN(C(=O)Nc2cc(Br)cnc2C)CC[N@@H+]1C[C@H](C)O ZINC000455805798 650318845 /nfs/dbraw/zinc/31/88/45/650318845.db2.gz QTIHZVRUZQYODK-FZMZJTMJSA-N 1 0 385.306 2.461 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455972134 650327279 /nfs/dbraw/zinc/32/72/79/650327279.db2.gz PBPSBAOZUOSFCU-CYBMUJFWSA-N 1 0 375.698 2.470 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(I)cn1 ZINC000456050031 650328613 /nfs/dbraw/zinc/32/86/13/650328613.db2.gz IGLNKGFOCHVDAF-YPMHNXCESA-N 1 0 385.249 2.385 20 0 GEADRO C[C@@H](CC(N)=O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456365384 650338114 /nfs/dbraw/zinc/33/81/14/650338114.db2.gz HXGYTFRYGRQNDD-RYUDHWBXSA-N 1 0 397.317 2.039 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2c[nH]c3cccc(Br)c23)C[C@H](C)[N@H+]1CCO ZINC000456205861 650334076 /nfs/dbraw/zinc/33/40/76/650334076.db2.gz CVEMXQHOFCHYOY-BETUJISGSA-N 1 0 394.313 2.386 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@H](C)[N@H+]1CCO ZINC000456205862 650334097 /nfs/dbraw/zinc/33/40/97/650334097.db2.gz CVMBTLCYQHVCDQ-BETUJISGSA-N 1 0 394.313 2.386 20 0 GEADRO C[C@@H]1CN(C(=O)CCc2cccc(F)c2Br)C[C@H](C)[N@H+]1CCO ZINC000456222901 650334429 /nfs/dbraw/zinc/33/44/29/650334429.db2.gz ISHBJELQUXMFMX-BETUJISGSA-N 1 0 387.293 2.434 20 0 GEADRO CCNC(=O)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456377156 650338365 /nfs/dbraw/zinc/33/83/65/650338365.db2.gz SVCDGVRXIPCZRV-GFCCVEGCSA-N 1 0 397.317 2.054 20 0 GEADRO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2Br)C[C@H](C)[N@H+]1CCO ZINC000456243398 650335289 /nfs/dbraw/zinc/33/52/89/650335289.db2.gz MZKBSISENMXRSM-BETUJISGSA-N 1 0 387.293 2.434 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000456583907 650349752 /nfs/dbraw/zinc/34/97/52/650349752.db2.gz GEERXEJQGMWOFG-QGZVFWFLSA-N 1 0 399.329 2.425 20 0 GEADRO C[C@@H](CS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456796881 650363112 /nfs/dbraw/zinc/36/31/12/650363112.db2.gz WLAQAUNZJFBXHA-LBPRGKRZSA-N 1 0 388.917 2.432 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000500568546 650380733 /nfs/dbraw/zinc/38/07/33/650380733.db2.gz HUTDYCXSBGPWMM-IINYFYTJSA-N 1 0 379.295 2.396 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000500567564 650380652 /nfs/dbraw/zinc/38/06/52/650380652.db2.gz SNQZRPMKVDKCOY-IINYFYTJSA-N 1 0 379.295 2.396 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000500530706 650380043 /nfs/dbraw/zinc/38/00/43/650380043.db2.gz QFTYKPZUQJMLSF-FZMZJTMJSA-N 1 0 379.295 2.396 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000500567967 650380710 /nfs/dbraw/zinc/38/07/10/650380710.db2.gz SNQZRPMKVDKCOY-YGRLFVJLSA-N 1 0 379.295 2.396 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000500851360 650383601 /nfs/dbraw/zinc/38/36/01/650383601.db2.gz GHNOXRTZLVMQSZ-ZIAGYGMSSA-N 1 0 396.329 2.416 20 0 GEADRO O=C(NCc1cc(Br)ccc1F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457772743 650384440 /nfs/dbraw/zinc/38/44/40/650384440.db2.gz KBGFCMAKPKUULE-AWEZNQCLSA-N 1 0 388.281 2.234 20 0 GEADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000500967098 650385356 /nfs/dbraw/zinc/38/53/56/650385356.db2.gz RJVHPPPFFOKWQE-LLVKDONJSA-N 1 0 378.336 2.134 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000501072183 650387114 /nfs/dbraw/zinc/38/71/14/650387114.db2.gz ZYHDADMZUHHGLT-OKILXGFUSA-N 1 0 384.318 2.454 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000457877709 650388001 /nfs/dbraw/zinc/38/80/01/650388001.db2.gz OEWIVAAEMJCJIH-SOUVJXGZSA-N 1 0 398.345 2.477 20 0 GEADRO COCC(=O)N1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000501409906 650391166 /nfs/dbraw/zinc/39/11/66/650391166.db2.gz FGWCRHGBQRKNBR-UHFFFAOYSA-N 1 0 377.229 2.454 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNCc2c(F)ccc(Br)c2F)C1 ZINC000501416908 650391228 /nfs/dbraw/zinc/39/12/28/650391228.db2.gz ZKGJQCVENJTTGM-LLVKDONJSA-N 1 0 390.272 2.404 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000457976700 650391415 /nfs/dbraw/zinc/39/14/15/650391415.db2.gz AKYPTNCTMNOQHX-SOUVJXGZSA-N 1 0 398.345 2.477 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000458004746 650391994 /nfs/dbraw/zinc/39/19/94/650391994.db2.gz DSLIJNBSMYYVBD-GOEBONIOSA-N 1 0 398.345 2.302 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458096680 650394863 /nfs/dbraw/zinc/39/48/63/650394863.db2.gz FOSFEBRNOUKVJL-AXAPSJFSSA-N 1 0 387.293 2.053 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458096682 650395094 /nfs/dbraw/zinc/39/50/94/650395094.db2.gz FOSFEBRNOUKVJL-KFNAQCHYSA-N 1 0 387.293 2.053 20 0 GEADRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000501576672 650395352 /nfs/dbraw/zinc/39/53/52/650395352.db2.gz VQTSAQPRVGYUSI-GFCCVEGCSA-N 1 0 379.507 2.345 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000501645196 650395969 /nfs/dbraw/zinc/39/59/69/650395969.db2.gz IEFZQSKZCGTOQS-SNVBAGLBSA-N 1 0 388.331 2.182 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000501692602 650396714 /nfs/dbraw/zinc/39/67/14/650396714.db2.gz JTOWMMMUEJCWGN-NSHDSACASA-N 1 0 384.278 2.142 20 0 GEADRO CC(C)[C@@H](C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000458130354 650396884 /nfs/dbraw/zinc/39/68/84/650396884.db2.gz FXWWXEBKIOIKRI-CJNGLKHVSA-N 1 0 389.309 2.442 20 0 GEADRO C[N@H+](CCNC(=O)NCCn1cc(Br)ccc1=O)C1CCCCC1 ZINC000458133213 650397095 /nfs/dbraw/zinc/39/70/95/650397095.db2.gz UAJLRKCCSQRWIL-UHFFFAOYSA-N 1 0 399.333 2.175 20 0 GEADRO C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)Oc1ccccc1Br ZINC000501961961 650399561 /nfs/dbraw/zinc/39/95/61/650399561.db2.gz FCPDTIKUKIRKTO-ZIAGYGMSSA-N 1 0 385.302 2.301 20 0 GEADRO CC(C)[C@@H](CNC(=O)NCCn1cc(Br)ccc1=O)[NH+]1CCCC1 ZINC000458290331 650399574 /nfs/dbraw/zinc/39/95/74/650399574.db2.gz ATPPJIPJQLHYBR-OAHLLOKOSA-N 1 0 399.333 2.030 20 0 GEADRO CN(C(=O)NCCN1CCSCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458376417 650401350 /nfs/dbraw/zinc/40/13/50/650401350.db2.gz DJFRLKLEMOKJQL-UHFFFAOYSA-N 1 0 382.496 2.093 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)NC[C@H]1CCC[N@H+]1CCCO ZINC000458395211 650401981 /nfs/dbraw/zinc/40/19/81/650401981.db2.gz LCQYFBWCBPUMFI-MRXNPFEDSA-N 1 0 384.318 2.138 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000458438578 650403748 /nfs/dbraw/zinc/40/37/48/650403748.db2.gz QEPZTRGRVWRWGM-ZBFHGGJFSA-N 1 0 397.317 2.411 20 0 GEADRO CCn1cc(S(=O)(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)nc1C ZINC000502444675 650406423 /nfs/dbraw/zinc/40/64/23/650406423.db2.gz PBZJJUWLIZROGR-UHFFFAOYSA-N 1 0 384.468 2.496 20 0 GEADRO Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1Br ZINC000458677290 650407051 /nfs/dbraw/zinc/40/70/51/650407051.db2.gz CWOBWRCDEFPQQN-HNNXBMFYSA-N 1 0 384.318 2.404 20 0 GEADRO NC(=O)CCC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000502523958 650407795 /nfs/dbraw/zinc/40/77/95/650407795.db2.gz RZSMFOKTWKHCDE-OAHLLOKOSA-N 1 0 385.302 2.166 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000458706521 650408356 /nfs/dbraw/zinc/40/83/56/650408356.db2.gz DHLQOAQQOOOJFL-AWEZNQCLSA-N 1 0 387.933 2.368 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000458709776 650408675 /nfs/dbraw/zinc/40/86/75/650408675.db2.gz ULUZJLHWBOXYTR-CQSZACIVSA-N 1 0 397.317 2.194 20 0 GEADRO Cc1cccc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1Br ZINC000502589907 650408846 /nfs/dbraw/zinc/40/88/46/650408846.db2.gz WCVJCRBGCFYUHF-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCCc1ccc(Br)cc1Cl ZINC000458878662 650413264 /nfs/dbraw/zinc/41/32/64/650413264.db2.gz HTVSQLJEGZDBMU-UHFFFAOYSA-N 1 0 392.725 2.258 20 0 GEADRO C[NH+](C)C[C@H]1CN(C(=O)NC/C=C/c2ccc(Br)cc2)CCO1 ZINC000458973731 650416477 /nfs/dbraw/zinc/41/64/77/650416477.db2.gz MTXPELZGHHRZHH-CWDCEQMOSA-N 1 0 382.302 2.434 20 0 GEADRO O=C(NCC[NH+]1CCC1)NCc1c(Br)cncc1Br ZINC000458920525 650414266 /nfs/dbraw/zinc/41/42/66/650414266.db2.gz FUCZTNJRELZIPA-UHFFFAOYSA-N 1 0 392.095 2.112 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000503132982 650414797 /nfs/dbraw/zinc/41/47/97/650414797.db2.gz RILBCNOHEBZLDI-LBPRGKRZSA-N 1 0 384.261 2.391 20 0 GEADRO COCC[NH+]1CCC(NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503157302 650414808 /nfs/dbraw/zinc/41/48/08/650414808.db2.gz GWEXFNWNFYZONB-UHFFFAOYSA-N 1 0 391.256 2.497 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(Br)sc2C)C[C@@H]1[NH+](C)C ZINC000503209586 650415670 /nfs/dbraw/zinc/41/56/70/650415670.db2.gz AQGRJRRDFJAGFK-UWVGGRQHSA-N 1 0 399.401 2.485 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000459036709 650417540 /nfs/dbraw/zinc/41/75/40/650417540.db2.gz WZXDTFIUDSZNBU-UHFFFAOYSA-N 1 0 386.338 2.446 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2cccc(Br)c2)[C@@H](C)C1 ZINC000459155050 650420078 /nfs/dbraw/zinc/42/00/78/650420078.db2.gz UQBOXJRUPVIGJL-KBPBESRZSA-N 1 0 384.318 2.088 20 0 GEADRO C[NH+](C)C1(CNC(=O)Cc2c(F)ccc(Br)c2F)CCOCC1 ZINC000503622865 650420597 /nfs/dbraw/zinc/42/05/97/650420597.db2.gz UMIAKNNTFINQRK-UHFFFAOYSA-N 1 0 391.256 2.497 20 0 GEADRO CCOc1cc(CN2CC[NH+](C[C@H](O)CC)CC2)cc(Br)c1O ZINC000459342825 650422899 /nfs/dbraw/zinc/42/28/99/650422899.db2.gz XSYTXBDNTURWGL-CQSZACIVSA-N 1 0 387.318 2.442 20 0 GEADRO COCc1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)no1 ZINC000459409136 650424035 /nfs/dbraw/zinc/42/40/35/650424035.db2.gz MJUPZIAHBXYOJY-UHFFFAOYSA-N 1 0 382.258 2.493 20 0 GEADRO CCOc1cc(C[NH2+][C@@H](C)CS(=O)(=O)CC)cc(Br)c1O ZINC000459408416 650424103 /nfs/dbraw/zinc/42/41/03/650424103.db2.gz GAYNVAQDYFCHBU-JTQLQIEISA-N 1 0 380.304 2.466 20 0 GEADRO Cc1cc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1Br ZINC000459418380 650424142 /nfs/dbraw/zinc/42/41/42/650424142.db2.gz VLBJOIVDUIGVPW-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GEADRO CCOc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc(Br)c1O ZINC000459442186 650424564 /nfs/dbraw/zinc/42/45/64/650424564.db2.gz WWXGOUYSDVIWJJ-LLVKDONJSA-N 1 0 378.288 2.220 20 0 GEADRO CC(C)[NH+](CCN(C)C(=O)c1nc2ncc(Br)cn2n1)C(C)C ZINC000504125593 650427572 /nfs/dbraw/zinc/42/75/72/650427572.db2.gz RBAUMWVRBSROIY-UHFFFAOYSA-N 1 0 383.294 2.078 20 0 GEADRO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459536295 650427613 /nfs/dbraw/zinc/42/76/13/650427613.db2.gz KWVKUQPCEVSXIM-LSDHHAIUSA-N 1 0 379.448 2.327 20 0 GEADRO C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459697840 650429869 /nfs/dbraw/zinc/42/98/69/650429869.db2.gz KNCRYIRLQXZDAR-WCQYABFASA-N 1 0 375.282 2.196 20 0 GEADRO O=C(C[NH2+]C1(CO)CCSCC1)N(Cc1ccccc1)CC(F)(F)F ZINC000459702819 650430027 /nfs/dbraw/zinc/43/00/27/650430027.db2.gz DCYXPCNGMLESDT-UHFFFAOYSA-N 1 0 376.444 2.425 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)Cn1ccnn1 ZINC000459707439 650430588 /nfs/dbraw/zinc/43/05/88/650430588.db2.gz WOGUAYDCVNRPQE-CQSZACIVSA-N 1 0 377.242 2.451 20 0 GEADRO O[C@@H](C[NH2+]Cc1csc(-c2cccc(Br)c2)n1)Cn1ccnn1 ZINC000459707063 650430636 /nfs/dbraw/zinc/43/06/36/650430636.db2.gz WHGRDIIRZAPAOF-AWEZNQCLSA-N 1 0 394.298 2.315 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)Cn1ccnn1 ZINC000459716145 650430792 /nfs/dbraw/zinc/43/07/92/650430792.db2.gz PPQIIMLSEBBPMH-SNVBAGLBSA-N 1 0 395.179 2.090 20 0 GEADRO CCCOc1c(Br)cc(CN2C[C@H](O)[C@H](CO)C2)cc1OCC ZINC000459715980 650430815 /nfs/dbraw/zinc/43/08/15/650430815.db2.gz VLPQQTVZBAILBI-ZFWWWQNUSA-N 1 0 388.302 2.422 20 0 GEADRO O=S(=O)(CC[NH2+]C1(CO)CCSCC1)c1cccc(Br)c1 ZINC000459715747 650430824 /nfs/dbraw/zinc/43/08/24/650430824.db2.gz QWLNFRBGXFZMKY-UHFFFAOYSA-N 1 0 394.356 2.071 20 0 GEADRO C[NH+]1CCC(CNC(=O)COc2ccc(I)cc2)CC1 ZINC000505339052 650436469 /nfs/dbraw/zinc/43/64/69/650436469.db2.gz KRNYXLOFYLDZDC-UHFFFAOYSA-N 1 0 388.249 2.128 20 0 GEADRO COc1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1I ZINC000505668781 650439835 /nfs/dbraw/zinc/43/98/35/650439835.db2.gz KXGMDFPMVFKGKZ-UHFFFAOYSA-N 1 0 388.249 2.466 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000506429311 650445065 /nfs/dbraw/zinc/44/50/65/650445065.db2.gz NPBFCTRZWABLOP-YOEHRIQHSA-N 1 0 386.334 2.382 20 0 GEADRO C[NH+](C)CCn1nnnc1SCc1nc2ccc(Br)cc2o1 ZINC000460871161 650446920 /nfs/dbraw/zinc/44/69/20/650446920.db2.gz YFTCIBIKMCLCNH-UHFFFAOYSA-N 1 0 383.275 2.431 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000506849461 650451274 /nfs/dbraw/zinc/45/12/74/650451274.db2.gz BISAGUIVRJOAID-CYBMUJFWSA-N 1 0 381.270 2.383 20 0 GEADRO C[NH2+]CC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000506662232 650448842 /nfs/dbraw/zinc/44/88/42/650448842.db2.gz QROVHYUCNMLJOW-UHFFFAOYSA-N 1 0 383.857 2.307 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000507184465 650455344 /nfs/dbraw/zinc/45/53/44/650455344.db2.gz VOLJYJGDSVLGRS-ZDUSSCGKSA-N 1 0 386.359 2.497 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000461896522 650462054 /nfs/dbraw/zinc/46/20/54/650462054.db2.gz GFAVJNSTOPKGBQ-SMDDNHRTSA-N 1 0 376.906 2.112 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000461896340 650462061 /nfs/dbraw/zinc/46/20/61/650462061.db2.gz GFAVJNSTOPKGBQ-FZMZJTMJSA-N 1 0 376.906 2.112 20 0 GEADRO COCCN1CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000462049393 650465098 /nfs/dbraw/zinc/46/50/98/650465098.db2.gz NIPUMNRWNYQMRF-UHFFFAOYSA-N 1 0 398.345 2.269 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCc1ccccc1Br ZINC000462098001 650467896 /nfs/dbraw/zinc/46/78/96/650467896.db2.gz OGGNPBPIRYTZHH-LRDDRELGSA-N 1 0 387.343 2.394 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2Br)C1 ZINC000462114205 650469835 /nfs/dbraw/zinc/46/98/35/650469835.db2.gz VKCJZVQINRWXFJ-CQSZACIVSA-N 1 0 375.332 2.347 20 0 GEADRO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](C3CCC3)CC2)n1C ZINC000507982843 650471804 /nfs/dbraw/zinc/47/18/04/650471804.db2.gz RFUGZMKQGOOBEJ-UHFFFAOYSA-N 1 0 379.306 2.258 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000462346048 650476572 /nfs/dbraw/zinc/47/65/72/650476572.db2.gz BQTCMSFSGKLFJU-LSDHHAIUSA-N 1 0 385.302 2.212 20 0 GEADRO CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C)CC[N@@H+]1C ZINC000508162556 650476656 /nfs/dbraw/zinc/47/66/56/650476656.db2.gz RUSUYCBLZZTQDX-CQSZACIVSA-N 1 0 381.322 2.360 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)cn2)CCCCC1 ZINC000462468174 650480798 /nfs/dbraw/zinc/48/07/98/650480798.db2.gz MHHSVDUMCYGWEW-UHFFFAOYSA-N 1 0 376.320 2.387 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)[C@@H](C)CO1 ZINC000462501009 650482032 /nfs/dbraw/zinc/48/20/32/650482032.db2.gz CDAYWHHQMDGYNF-LSDHHAIUSA-N 1 0 389.949 2.058 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)C1 ZINC000462565394 650484292 /nfs/dbraw/zinc/48/42/92/650484292.db2.gz MCFIKKFSYQPSJX-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000509196512 650489412 /nfs/dbraw/zinc/48/94/12/650489412.db2.gz RWMXSHWMCCFXRM-UONOGXRCSA-N 1 0 395.345 2.324 20 0 GEADRO COCC[N@@H+]1CC[C@@H](Nc2ncnc3ccc(I)cc32)C1 ZINC000462842781 650491176 /nfs/dbraw/zinc/49/11/76/650491176.db2.gz ZMVHGPHYTHNFEF-GFCCVEGCSA-N 1 0 398.248 2.367 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000467095754 650502556 /nfs/dbraw/zinc/50/25/56/650502556.db2.gz VLKFCQWXRAXPQO-IAQYHMDHSA-N 1 0 380.286 2.295 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNCc2ncc(I)s2)C1 ZINC000510175539 650508054 /nfs/dbraw/zinc/50/80/54/650508054.db2.gz KZFWMLVUDBGZKO-LLVKDONJSA-N 1 0 395.310 2.194 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C)cc1Br ZINC000470601672 650513466 /nfs/dbraw/zinc/51/34/66/650513466.db2.gz QLRIHQJRBFEMKG-LLVKDONJSA-N 1 0 377.304 2.172 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000470670637 650515246 /nfs/dbraw/zinc/51/52/46/650515246.db2.gz PBJSNMAJSJKRER-UHFFFAOYSA-N 1 0 389.949 2.199 20 0 GEADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000510769401 650518553 /nfs/dbraw/zinc/51/85/53/650518553.db2.gz VZDROOCZJXBBQV-RCBQFDQVSA-N 1 0 385.555 2.186 20 0 GEADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000510689738 650517145 /nfs/dbraw/zinc/51/71/45/650517145.db2.gz DMGKXNBBEMCQOY-LLVKDONJSA-N 1 0 380.297 2.075 20 0 GEADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000510792179 650519362 /nfs/dbraw/zinc/51/93/62/650519362.db2.gz QIEXZLOJZABHKB-RCBQFDQVSA-N 1 0 385.555 2.186 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000472997706 650524036 /nfs/dbraw/zinc/52/40/36/650524036.db2.gz YMMQYTGETWREQH-UHFFFAOYSA-N 1 0 388.306 2.352 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000474092735 650526838 /nfs/dbraw/zinc/52/68/38/650526838.db2.gz ACEIUENUPQIPFK-GFCCVEGCSA-N 1 0 382.302 2.168 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000511122171 650526845 /nfs/dbraw/zinc/52/68/45/650526845.db2.gz MUXIONYWVZRBQN-ZDUSSCGKSA-N 1 0 378.897 2.461 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000474107364 650527854 /nfs/dbraw/zinc/52/78/54/650527854.db2.gz YALWPNFULYYSOP-QWRGUYRKSA-N 1 0 377.304 2.219 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@H]1C ZINC000475386131 650532415 /nfs/dbraw/zinc/53/24/15/650532415.db2.gz AKCPARLTLWYNIH-XNRPHZJLSA-N 1 0 386.286 2.320 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000511609891 650539630 /nfs/dbraw/zinc/53/96/30/650539630.db2.gz JSUJSVPMRKCBLC-ZLKJLUDKSA-N 1 0 388.249 2.463 20 0 GEADRO Cc1cc([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)sc1Br ZINC000512036816 650544142 /nfs/dbraw/zinc/54/41/42/650544142.db2.gz BGFWTVOMIWLYJD-SNVBAGLBSA-N 1 0 382.345 2.409 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000512431421 650548458 /nfs/dbraw/zinc/54/84/58/650548458.db2.gz BZXKWRSBCIIDFB-LBPRGKRZSA-N 1 0 387.311 2.411 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cnc2n1CCC2 ZINC000476332887 650548496 /nfs/dbraw/zinc/54/84/96/650548496.db2.gz MGEFAYUZOUBRAZ-UHFFFAOYSA-N 1 0 382.452 2.114 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000476502641 650551800 /nfs/dbraw/zinc/55/18/00/650551800.db2.gz FLFIMABPXDPHHD-NEPJUHHUSA-N 1 0 397.335 2.254 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCSCC2)[C@H]1c1cccs1 ZINC000512613948 650551541 /nfs/dbraw/zinc/55/15/41/650551541.db2.gz UMZLUMYICVVZSW-HOCLYGCPSA-N 1 0 381.567 2.213 20 0 GEADRO CN(C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@H]1CCSC1 ZINC000512747000 650553686 /nfs/dbraw/zinc/55/36/86/650553686.db2.gz AOTTXGXIYQBNER-IJEWVQPXSA-N 1 0 381.567 2.211 20 0 GEADRO CSCCCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512760956 650553978 /nfs/dbraw/zinc/55/39/78/650553978.db2.gz UKSPIHPBMFPANX-GOEBONIOSA-N 1 0 383.583 2.459 20 0 GEADRO CSCCCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512760957 650554068 /nfs/dbraw/zinc/55/40/68/650554068.db2.gz UKSPIHPBMFPANX-HOCLYGCPSA-N 1 0 383.583 2.459 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000512988509 650555765 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CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000477029974 650566785 /nfs/dbraw/zinc/56/67/85/650566785.db2.gz DBQYAHRFPUGEDO-LLVKDONJSA-N 1 0 390.347 2.316 20 0 GEADRO COC(=O)c1csc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000513660353 650567207 /nfs/dbraw/zinc/56/72/07/650567207.db2.gz HTGPCHCEGRIXTE-ZDUSSCGKSA-N 1 0 382.507 2.472 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC000513673220 650567212 /nfs/dbraw/zinc/56/72/12/650567212.db2.gz YVGOYRWMEZYHPF-CYBMUJFWSA-N 1 0 397.191 2.144 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 ZINC000514608278 650574945 /nfs/dbraw/zinc/57/49/45/650574945.db2.gz NBLJZZIIQUWCSI-GFCCVEGCSA-N 1 0 382.404 2.288 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCCS1)c1ccc(Cl)cc1 ZINC000514809434 650579852 /nfs/dbraw/zinc/57/98/52/650579852.db2.gz DYBUFLYHMIVPRD-YJBOKZPZSA-N 1 0 383.945 2.461 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000514824278 650580412 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COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000515645996 650593352 /nfs/dbraw/zinc/59/33/52/650593352.db2.gz OXLVCFDSTKHVHM-OCCSQVGLSA-N 1 0 388.295 2.359 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1Cl ZINC000515224799 650590197 /nfs/dbraw/zinc/59/01/97/650590197.db2.gz ICIKDFHGVHUHDW-LLVKDONJSA-N 1 0 397.324 2.439 20 0 GEADRO C[C@H](OC[C@H](O)C[NH2+]CC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000515234654 650590274 /nfs/dbraw/zinc/59/02/74/650590274.db2.gz MLGNVBCPXCRTIA-SUMWQHHRSA-N 1 0 375.918 2.193 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000479036253 650594726 /nfs/dbraw/zinc/59/47/26/650594726.db2.gz UZHBYIYAGSHFSR-YPMHNXCESA-N 1 0 398.301 2.385 20 0 GEADRO [NH3+]CCC1CCN(C(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000515861942 650595107 /nfs/dbraw/zinc/59/51/07/650595107.db2.gz VBWZVMIPLZAIDJ-UHFFFAOYSA-N 1 0 398.248 2.369 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NS(=O)(=O)CC)cc1OC ZINC000479128129 650596841 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O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)c2cc(Br)ccc21 ZINC000480207760 650617685 /nfs/dbraw/zinc/61/76/85/650617685.db2.gz GLNPEGHZCPPFDC-IUODEOHRSA-N 1 0 385.327 2.494 20 0 GEADRO Cn1c(=O)cc(C[N@H+](Cc2cccc(Br)c2)C2CC2)n(C)c1=O ZINC000521480852 650617880 /nfs/dbraw/zinc/61/78/80/650617880.db2.gz LMEKGHBWLQGPDA-UHFFFAOYSA-N 1 0 378.270 2.011 20 0 GEADRO COCC[C@](C)(O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480236930 650618321 /nfs/dbraw/zinc/61/83/21/650618321.db2.gz WOXOARMSHGTPKS-HIFRSBDPSA-N 1 0 392.315 2.045 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)CCSC1 ZINC000480275682 650618750 /nfs/dbraw/zinc/61/87/50/650618750.db2.gz QNNIAQKGAKHSHL-MJGOQNOKSA-N 1 0 379.595 2.330 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2cccc(I)c2)CCSC1 ZINC000480274493 650618771 /nfs/dbraw/zinc/61/87/71/650618771.db2.gz NZGMLDLBKMAXES-AWEZNQCLSA-N 1 0 390.290 2.458 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000522402629 650624852 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2.219 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000523191346 650632821 /nfs/dbraw/zinc/63/28/21/650632821.db2.gz ALFFSAWNKWRLRP-CYBMUJFWSA-N 1 0 399.333 2.208 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000524297117 650640198 /nfs/dbraw/zinc/64/01/98/650640198.db2.gz IJIDDNXLKDIRPD-CYBMUJFWSA-N 1 0 394.313 2.185 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000524608960 650644024 /nfs/dbraw/zinc/64/40/24/650644024.db2.gz ZTZQHMRHBRYQRM-HNNXBMFYSA-N 1 0 393.285 2.085 20 0 GEADRO C[C@H](OC[C@H](O)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000524893429 650648131 /nfs/dbraw/zinc/64/81/31/650648131.db2.gz RXJNJXYUZLYAOA-GRDNDAEWSA-N 1 0 375.918 2.145 20 0 GEADRO CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481922458 650656091 /nfs/dbraw/zinc/65/60/91/650656091.db2.gz ORCLLIQCOFMZDK-GDBMZVCRSA-N 1 0 392.949 2.322 20 0 GEADRO CCCNC(=O)CC[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481928339 650656563 /nfs/dbraw/zinc/65/65/63/650656563.db2.gz RBOBZKGMKPWIEK-AWEZNQCLSA-N 1 0 375.922 2.205 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000482064633 650659063 /nfs/dbraw/zinc/65/90/63/650659063.db2.gz IXPDMFKQVYTATQ-MCIONIFRSA-N 1 0 385.555 2.134 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000482064624 650659133 /nfs/dbraw/zinc/65/91/33/650659133.db2.gz IXPDMFKQVYTATQ-HZSPNIEDSA-N 1 0 385.555 2.134 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000525979110 650662117 /nfs/dbraw/zinc/66/21/17/650662117.db2.gz ZFXCKLPUZAMVSM-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482358923 650664639 /nfs/dbraw/zinc/66/46/39/650664639.db2.gz FJLWXJNEQBZMEU-KGLIPLIRSA-N 1 0 378.826 2.488 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCc1ncn(C)n1 ZINC000482788739 650668435 /nfs/dbraw/zinc/66/84/35/650668435.db2.gz MZYUPCLTCLVFQY-UHFFFAOYSA-N 1 0 375.274 2.404 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000482602159 650665677 /nfs/dbraw/zinc/66/56/77/650665677.db2.gz GQQCDBZRDKMKLY-DYVFJYSZSA-N 1 0 383.323 2.078 20 0 GEADRO Cc1nccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1Br ZINC000527088788 650668523 /nfs/dbraw/zinc/66/85/23/650668523.db2.gz VLOWBGPQAOTXNH-ZDUSSCGKSA-N 1 0 385.306 2.149 20 0 GEADRO OCCC[N@H+](CCO)CCOc1c(Br)cccc1Br ZINC000482712413 650667392 /nfs/dbraw/zinc/66/73/92/650667392.db2.gz KOMLJBZTSLMNGB-UHFFFAOYSA-N 1 0 397.107 2.267 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000527941740 650683259 /nfs/dbraw/zinc/68/32/59/650683259.db2.gz OYMMQMYURRSUMD-UHFFFAOYSA-N 1 0 390.272 2.485 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483421726 650678310 /nfs/dbraw/zinc/67/83/10/650678310.db2.gz VLAVDDKYPXKHAP-HZPDHXFCSA-N 1 0 396.329 2.397 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000483635619 650680456 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C[C@]1(Br)C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000528341803 650689291 /nfs/dbraw/zinc/68/92/91/650689291.db2.gz XRBWEKWGVVXGLA-XUWXXGDYSA-N 1 0 394.313 2.496 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000527981254 650683998 /nfs/dbraw/zinc/68/39/98/650683998.db2.gz NLNSGJZOVPYEKQ-ZDUSSCGKSA-N 1 0 384.322 2.389 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000484920638 650691170 /nfs/dbraw/zinc/69/11/70/650691170.db2.gz XLDNQNCKJOEBTK-SRVKXCTJSA-N 1 0 387.265 2.287 20 0 GEADRO C[C@H]1[C@H](NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCC[N@@H+]1C ZINC000485074844 650692886 /nfs/dbraw/zinc/69/28/86/650692886.db2.gz CAFQYWSSEWWECQ-CMPLNLGQSA-N 1 0 380.901 2.165 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccsc2C(F)(F)F)CC1 ZINC000528425791 650693329 /nfs/dbraw/zinc/69/33/29/650693329.db2.gz XJUIMEVNOQNWTN-UHFFFAOYSA-N 1 0 377.432 2.393 20 0 GEADRO OCC[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(Br)s1 ZINC000485127720 650693433 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O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(Br)cc1Br ZINC000528664680 650697452 /nfs/dbraw/zinc/69/74/52/650697452.db2.gz NMYRHSLZJUBSGS-SECBINFHSA-N 1 0 393.079 2.322 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000485727997 650699871 /nfs/dbraw/zinc/69/98/71/650699871.db2.gz VDHWBGHHBPKITH-UKRRQHHQSA-N 1 0 390.274 2.073 20 0 GEADRO CC(C)[C@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC[N@@H+]1C ZINC000485735193 650699895 /nfs/dbraw/zinc/69/98/95/650699895.db2.gz QSGJYOBRYCSDHD-JKSUJKDBSA-N 1 0 394.313 2.353 20 0 GEADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000485727995 650699931 /nfs/dbraw/zinc/69/99/31/650699931.db2.gz VDHWBGHHBPKITH-HIFRSBDPSA-N 1 0 390.274 2.073 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000485727998 650699939 /nfs/dbraw/zinc/69/99/39/650699939.db2.gz VDHWBGHHBPKITH-ZFWWWQNUSA-N 1 0 390.274 2.073 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000485771099 650700132 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NS(=O)(=O)c1sc(Cl)cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529719954 650705119 /nfs/dbraw/zinc/70/51/19/650705119.db2.gz YNKYZJHYXRGXKM-NSHDSACASA-N 1 0 391.946 2.186 20 0 GEADRO CCOC[C@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)CCO1 ZINC000530107608 650713665 /nfs/dbraw/zinc/71/36/65/650713665.db2.gz SQJNPJPWQUIZAM-CYBMUJFWSA-N 1 0 381.270 2.459 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)NCc2cc(F)c(Br)cc2F)n1 ZINC000529877384 650708193 /nfs/dbraw/zinc/70/81/93/650708193.db2.gz LCRKOWCXTFYVPV-UHFFFAOYSA-N 1 0 387.228 2.415 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000486209248 650708986 /nfs/dbraw/zinc/70/89/86/650708986.db2.gz DEIPIHBNBDECNT-GXFFZTMASA-N 1 0 378.274 2.048 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000486260854 650710126 /nfs/dbraw/zinc/71/01/26/650710126.db2.gz RHODFUSHAZTOOI-UHFFFAOYSA-N 1 0 383.901 2.496 20 0 GEADRO Cn1cc(C(N)=O)cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530031832 650711172 /nfs/dbraw/zinc/71/11/72/650711172.db2.gz NTFRSRQDKVGISL-AWEZNQCLSA-N 1 0 383.279 2.464 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000486294867 650711218 /nfs/dbraw/zinc/71/12/18/650711218.db2.gz RPYOMHRBDOYOPI-DZGCQCFKSA-N 1 0 396.329 2.112 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 ZINC000486579491 650716276 /nfs/dbraw/zinc/71/62/76/650716276.db2.gz FPTRDWYVMPGABE-OAHLLOKOSA-N 1 0 390.933 2.470 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1COCCN1 ZINC000530180551 650717312 /nfs/dbraw/zinc/71/73/12/650717312.db2.gz CPOOPIBQNMKXSZ-LLVKDONJSA-N 1 0 394.107 2.298 20 0 GEADRO CC[C@H](C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)[NH+](CC)CC ZINC000486668463 650718411 /nfs/dbraw/zinc/71/84/11/650718411.db2.gz WHMVQPLWDOGDGC-LLVKDONJSA-N 1 0 379.452 2.326 20 0 GEADRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000530225222 650719043 /nfs/dbraw/zinc/71/90/43/650719043.db2.gz VUWMDHIEHAXWES-UHFFFAOYSA-N 1 0 377.539 2.014 20 0 GEADRO O=C(CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1 ZINC000530239700 650719412 /nfs/dbraw/zinc/71/94/12/650719412.db2.gz TZYXFXCUJREFRP-QGZVFWFLSA-N 1 0 396.329 2.478 20 0 GEADRO CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000486804904 650722337 /nfs/dbraw/zinc/72/23/37/650722337.db2.gz MQZXFVMEYIHVOH-CQSZACIVSA-N 1 0 394.313 2.356 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000530345245 650722469 /nfs/dbraw/zinc/72/24/69/650722469.db2.gz JXYSYDMCZWTQLE-UHFFFAOYSA-N 1 0 395.978 2.212 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNCc3c(Br)cnn3C)cn2)CC1 ZINC000486945659 650725913 /nfs/dbraw/zinc/72/59/13/650725913.db2.gz YLJXHSQONYZNOT-UHFFFAOYSA-N 1 0 393.333 2.009 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000530990147 650732647 /nfs/dbraw/zinc/73/26/47/650732647.db2.gz PTECYPLMRPPKIS-ZDUSSCGKSA-N 1 0 378.464 2.458 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000487306543 650732844 /nfs/dbraw/zinc/73/28/44/650732844.db2.gz OTCXGJLZUHSTGD-UHFFFAOYSA-N 1 0 383.212 2.216 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)NCc2cc(Cl)c3c(c2)OCCO3)CCSC1 ZINC000531128784 650735325 /nfs/dbraw/zinc/73/53/25/650735325.db2.gz ZDDDWNMSYSXMDX-QGZVFWFLSA-N 1 0 385.917 2.348 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)N(CCO)Cc2cccc(Br)c2)CCC[N@@H+]1C ZINC000487555380 650735567 /nfs/dbraw/zinc/73/55/67/650735567.db2.gz GGMLOGRZYBMLID-CJNGLKHVSA-N 1 0 384.318 2.436 20 0 GEADRO C[NH+]1CCC(CC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000487632640 650736248 /nfs/dbraw/zinc/73/62/48/650736248.db2.gz ALYBYHODGXTWDD-INIZCTEOSA-N 1 0 383.330 2.448 20 0 GEADRO COCCN1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000531720153 650743441 /nfs/dbraw/zinc/74/34/41/650743441.db2.gz OEGCYIRDFZAIJD-CZUORRHYSA-N 1 0 384.318 2.477 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C ZINC000487844346 650738399 /nfs/dbraw/zinc/73/83/99/650738399.db2.gz VGSJIQXBGAZYQD-RISCZKNCSA-N 1 0 383.290 2.170 20 0 GEADRO CO[C@@H]1C[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H]1OC ZINC000488115486 650741310 /nfs/dbraw/zinc/74/13/10/650741310.db2.gz WKIPPYILJFQQLS-NILFDRSVSA-N 1 0 394.693 2.188 20 0 GEADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COCc1ccco1 ZINC000488213162 650742583 /nfs/dbraw/zinc/74/25/83/650742583.db2.gz COHHWGUWUGDXSJ-MRXNPFEDSA-N 1 0 384.270 2.414 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000008351271 642351330 /nfs/dbraw/zinc/35/13/30/642351330.db2.gz PLCRCOQUSWHCCV-LBPRGKRZSA-N 1 0 386.290 2.153 20 0 GEADRO C[C@@H]([NH2+]CCNC(=O)c1cnccn1)c1ccccc1I ZINC000532219383 650746410 /nfs/dbraw/zinc/74/64/10/650746410.db2.gz SELVAATVLUKXND-LLVKDONJSA-N 1 0 396.232 2.162 20 0 GEADRO CC[NH+]1CCN(c2ccc(N3C(=O)[C@@H](CCSC)NC3=S)cc2)CC1 ZINC000015252167 642379490 /nfs/dbraw/zinc/37/94/90/642379490.db2.gz FBXLHSINBZZBDY-MRXNPFEDSA-N 1 0 378.567 2.171 20 0 GEADRO CCCN(CCC)S(=O)(=O)N1CC[NH+](CCCC2CCOCC2)CC1 ZINC000488580889 650748377 /nfs/dbraw/zinc/74/83/77/650748377.db2.gz LHGFJOSJLGMZKI-UHFFFAOYSA-N 1 0 375.579 2.178 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000532482717 650748627 /nfs/dbraw/zinc/74/86/27/650748627.db2.gz UWBKSCKKLCUZKH-KBPBESRZSA-N 1 0 384.318 2.477 20 0 GEADRO O=C(/C=C/c1ccc(Br)o1)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000022567494 642409071 /nfs/dbraw/zinc/40/90/71/642409071.db2.gz LYIXUYKIUUUGGG-GQCTYLIASA-N 1 0 397.269 2.342 20 0 GEADRO CCOC[C@H](O)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000532537621 650749752 /nfs/dbraw/zinc/74/97/52/650749752.db2.gz KNFPXUQVXREZHU-CQSZACIVSA-N 1 0 375.282 2.103 20 0 GEADRO CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000025811987 642428108 /nfs/dbraw/zinc/42/81/08/642428108.db2.gz BNPYKRCOLBFHIJ-MRXNPFEDSA-N 1 0 381.523 2.079 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(I)cc3)[C@H]2C1 ZINC000488798184 650750869 /nfs/dbraw/zinc/75/08/69/650750869.db2.gz JDMRKZYNRSDAGU-ZFWWWQNUSA-N 1 0 384.261 2.386 20 0 GEADRO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccc(Cl)c1 ZINC000028895291 642454810 /nfs/dbraw/zinc/45/48/10/642454810.db2.gz FDYQZQZTLWMJSD-UHFFFAOYSA-N 1 0 381.885 2.448 20 0 GEADRO O=S(=O)(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000029231201 642460393 /nfs/dbraw/zinc/46/03/93/642460393.db2.gz CTDFSHPJNGQEMY-UHFFFAOYSA-N 1 0 379.551 2.234 20 0 GEADRO O[C@H]([C@H]1CCCN1CCC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)C(F)(F)F ZINC000489262411 650756542 /nfs/dbraw/zinc/75/65/42/650756542.db2.gz ZFKZUXTZPIROOT-YVECIDJPSA-N 1 0 378.357 2.152 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2sccc2Br)[C@@H](C)C1 ZINC000489291514 650757033 /nfs/dbraw/zinc/75/70/33/650757033.db2.gz QPWIAGIPPJNPPE-WDEREUQCSA-N 1 0 376.320 2.107 20 0 GEADRO CC[N@H+](CCCO)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000489419008 650758903 /nfs/dbraw/zinc/75/89/03/650758903.db2.gz AMRLVTYXBGQCIE-LLVKDONJSA-N 1 0 376.238 2.323 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000532675880 650752134 /nfs/dbraw/zinc/75/21/34/650752134.db2.gz FHLREZUGMDTDQQ-OAHLLOKOSA-N 1 0 380.286 2.378 20 0 GEADRO CC(C)[NH2+]C1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000532699144 650752324 /nfs/dbraw/zinc/75/23/24/650752324.db2.gz BVXZAPVPDLHPRP-UHFFFAOYSA-N 1 0 379.302 2.419 20 0 GEADRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000037574304 642514513 /nfs/dbraw/zinc/51/45/13/642514513.db2.gz YDHMNGVVJVOWMD-SECBINFHSA-N 1 0 398.120 2.323 20 0 GEADRO Brc1csc(-c2noc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000489863289 650764819 /nfs/dbraw/zinc/76/48/19/650764819.db2.gz YEEVJLLNVOGODA-GFCCVEGCSA-N 1 0 398.330 2.040 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066310 642524655 /nfs/dbraw/zinc/52/46/55/642524655.db2.gz QWCGJBVJNFDWHB-JTQLQIEISA-N 1 0 382.711 2.260 20 0 GEADRO CC(C)[NH+](CCNC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(C)C ZINC000041947783 642536279 /nfs/dbraw/zinc/53/62/79/642536279.db2.gz XJPJEWZCFOMUIX-UHFFFAOYSA-N 1 0 387.571 2.381 20 0 GEADRO Cc1cccc(Cl)c1CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000490021451 650766615 /nfs/dbraw/zinc/76/66/15/650766615.db2.gz CIDUTRIYCBMARB-HNNXBMFYSA-N 1 0 386.945 2.158 20 0 GEADRO CC[C@H](CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)[NH+]1CCCC1 ZINC000042227136 642545914 /nfs/dbraw/zinc/54/59/14/642545914.db2.gz VQZCMWXFHVLYMQ-HUUCEWRRSA-N 1 0 388.965 2.169 20 0 GEADRO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1NS(C)(=O)=O ZINC000043522642 642561476 /nfs/dbraw/zinc/56/14/76/642561476.db2.gz BERPRKBYVDAUGS-OAHLLOKOSA-N 1 0 381.523 2.461 20 0 GEADRO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000043589994 642562143 /nfs/dbraw/zinc/56/21/43/642562143.db2.gz ZVNMGDYAFLZYHU-HNNXBMFYSA-N 1 0 387.571 2.058 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccnc(OCC(F)(F)F)c1 ZINC000044077496 642568688 /nfs/dbraw/zinc/56/86/88/642568688.db2.gz IPQURIOOMKGBRR-ZDUSSCGKSA-N 1 0 376.448 2.471 20 0 GEADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000044311483 642574861 /nfs/dbraw/zinc/57/48/61/642574861.db2.gz BGBBTXVRMRXSCJ-CABCVRRESA-N 1 0 387.571 2.061 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1Br ZINC000045745074 642595468 /nfs/dbraw/zinc/59/54/68/642595468.db2.gz SVJQNBFKNZOOIM-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C)c2)C[C@@H]1[NH+](C)C ZINC000534171011 650769911 /nfs/dbraw/zinc/76/99/11/650769911.db2.gz IJMNFKOIDYECOI-KBPBESRZSA-N 1 0 393.372 2.424 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)C[C@@H]1[NH+](C)C ZINC000534171033 650769940 /nfs/dbraw/zinc/76/99/40/650769940.db2.gz JETUCVNSXHKKKN-NZVBXONLSA-N 1 0 390.958 2.330 20 0 GEADRO C[NH+](C)CCCNC(=S)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000046102457 642603281 /nfs/dbraw/zinc/60/32/81/642603281.db2.gz FDBXCNXUTXXABM-QGZVFWFLSA-N 1 0 384.977 2.129 20 0 GEADRO COc1ccc(NC(=O)NCC2CC[NH+](CCO)CC2)cc1Br ZINC000490251127 650770834 /nfs/dbraw/zinc/77/08/34/650770834.db2.gz RSSPJPBNXJJCOY-UHFFFAOYSA-N 1 0 386.290 2.284 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000047148478 642621884 /nfs/dbraw/zinc/62/18/84/642621884.db2.gz UFSKWLJYRNYVBA-CQSZACIVSA-N 1 0 396.329 2.417 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226866 642624508 /nfs/dbraw/zinc/62/45/08/642624508.db2.gz ZRKLHUQIWZIMBX-HZPDHXFCSA-N 1 0 394.313 2.312 20 0 GEADRO O=C(c1cc(Br)ccc1O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047423315 642632793 /nfs/dbraw/zinc/63/27/93/642632793.db2.gz BBSLGACKLUNKSB-UHFFFAOYSA-N 1 0 383.286 2.339 20 0 GEADRO CC[NH+](CC)CCNC(=O)COc1ccc(I)cc1 ZINC000050081238 642676252 /nfs/dbraw/zinc/67/62/52/642676252.db2.gz OIMGZEQYYQEXHM-UHFFFAOYSA-N 1 0 376.238 2.128 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000050203902 642678545 /nfs/dbraw/zinc/67/85/45/642678545.db2.gz FOYBKEDGLQTKSN-LBPRGKRZSA-N 1 0 384.249 2.223 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(OCCO)CC1 ZINC000534515632 650776489 /nfs/dbraw/zinc/77/64/89/650776489.db2.gz WDCWQBRRTLVQRB-UHFFFAOYSA-N 1 0 375.296 2.425 20 0 GEADRO CC[NH+](CC)Cc1ccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000052396278 642717287 /nfs/dbraw/zinc/71/72/87/642717287.db2.gz NDGDVIQMXFHDGF-QGZVFWFLSA-N 1 0 384.567 2.065 20 0 GEADRO Cc1cc(N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)nc(N)[nH+]1 ZINC000052451246 642719080 /nfs/dbraw/zinc/71/90/80/642719080.db2.gz ZCOGJTKPQPGLKZ-NSHDSACASA-N 1 0 391.273 2.380 20 0 GEADRO Cc1cc(I)cc(NC(=O)NCCOCC[NH+](C)C)c1 ZINC000490673478 650778640 /nfs/dbraw/zinc/77/86/40/650778640.db2.gz RZVWVBJJSIWBDX-UHFFFAOYSA-N 1 0 391.253 2.299 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000534691394 650779907 /nfs/dbraw/zinc/77/99/07/650779907.db2.gz KVCRYJCUAZWIGR-UHFFFAOYSA-N 1 0 378.270 2.184 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000053809782 642739596 /nfs/dbraw/zinc/73/95/96/642739596.db2.gz PEGHJIVIXPVKRX-NSHDSACASA-N 1 0 388.331 2.231 20 0 GEADRO CS[C@H]1CN(C(=O)CSCc2cn3cc(C)ccc3n2)C[C@H]1[NH+](C)C ZINC000534825447 650780712 /nfs/dbraw/zinc/78/07/12/650780712.db2.gz FOKLIMXJUFPLNO-CVEARBPZSA-N 1 0 378.567 2.380 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)NCCc1cc(Br)ccc1F ZINC000535259510 650786514 /nfs/dbraw/zinc/78/65/14/650786514.db2.gz CVWFANCRSGGNAR-UHFFFAOYSA-N 1 0 381.249 2.359 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000054847345 642762548 /nfs/dbraw/zinc/76/25/48/642762548.db2.gz GKYGSWXSDIWUFR-UHFFFAOYSA-N 1 0 380.290 2.410 20 0 GEADRO C[C@H](NC(=S)NCC[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC000054972920 642765554 /nfs/dbraw/zinc/76/55/54/642765554.db2.gz ZOJBETREMBOKKX-JTQLQIEISA-N 1 0 388.331 2.307 20 0 GEADRO C[NH+](C)CCCNC(=S)NCCC(=O)Nc1ccc(Br)cc1 ZINC000054990074 642766152 /nfs/dbraw/zinc/76/61/52/642766152.db2.gz FAGNNEZJWUOMQN-UHFFFAOYSA-N 1 0 387.347 2.194 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000055241294 642771931 /nfs/dbraw/zinc/77/19/31/642771931.db2.gz FJVBZIVRBFHWSB-UHFFFAOYSA-N 1 0 384.933 2.177 20 0 GEADRO CN(CC(=O)NC[C@@H](C1CC1)[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000055720176 642781702 /nfs/dbraw/zinc/78/17/02/642781702.db2.gz QEKUZSJZJYUQQQ-NSHDSACASA-N 1 0 388.331 2.039 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)C1CC1 ZINC000055719061 642781728 /nfs/dbraw/zinc/78/17/28/642781728.db2.gz VGBBHELVQAZAPE-CQSZACIVSA-N 1 0 383.286 2.219 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CCCCCC1 ZINC000057027224 642800928 /nfs/dbraw/zinc/80/09/28/642800928.db2.gz HZHDVWXWKWIBRZ-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCCn2cc(Br)cn2)C[C@@H](C)C1 ZINC000491152088 650783740 /nfs/dbraw/zinc/78/37/40/650783740.db2.gz YLZYAZPNYLTMBK-SQWLQELKSA-N 1 0 398.349 2.407 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(C)c(Br)s2)C[C@H]1[NH+](C)C ZINC000535619648 650789464 /nfs/dbraw/zinc/78/94/64/650789464.db2.gz FDQCNNFBLKMUTP-ZJUUUORDSA-N 1 0 399.401 2.485 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc1Br ZINC000491218655 650784347 /nfs/dbraw/zinc/78/43/47/650784347.db2.gz YXOXJKYCOUECEA-UHFFFAOYSA-N 1 0 398.301 2.196 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000491227630 650784456 /nfs/dbraw/zinc/78/44/56/650784456.db2.gz GNANHBVNUKIKKY-ZIAGYGMSSA-N 1 0 396.285 2.139 20 0 GEADRO CC(C)C[C@H](CNC(=O)C(=O)N1CCc2ccc(Br)cc21)[NH+](C)C ZINC000491217192 650784486 /nfs/dbraw/zinc/78/44/86/650784486.db2.gz NRRKJSYCIMJMCO-OAHLLOKOSA-N 1 0 396.329 2.431 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000491237157 650784593 /nfs/dbraw/zinc/78/45/93/650784593.db2.gz QHFURZCTTJNEAB-SECBINFHSA-N 1 0 383.258 2.490 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000491247763 650784603 /nfs/dbraw/zinc/78/46/03/650784603.db2.gz GDPHUDKVSNVVIS-QWHCGFSZSA-N 1 0 396.285 2.139 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000491261966 650784785 /nfs/dbraw/zinc/78/47/85/650784785.db2.gz WQTBXDRPQGPHRL-LBPRGKRZSA-N 1 0 382.302 2.185 20 0 GEADRO Cc1ccc([C@H](CNS(=O)(=O)c2ncn(C)c2Cl)[NH+]2CCCC2)cc1 ZINC000057925223 642820944 /nfs/dbraw/zinc/82/09/44/642820944.db2.gz VEAWRJQYUZEZEP-HNNXBMFYSA-N 1 0 382.917 2.497 20 0 GEADRO COC(=O)c1ncsc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000492299219 650790431 /nfs/dbraw/zinc/79/04/31/650790431.db2.gz ZFKLIXXDZXVJPF-UHFFFAOYSA-N 1 0 389.543 2.205 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1cccc(I)c1 ZINC000063195412 642854540 /nfs/dbraw/zinc/85/45/40/642854540.db2.gz KZUMLJVHFOZYHR-BXUZGUMPSA-N 1 0 387.265 2.431 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000063195444 642855100 /nfs/dbraw/zinc/85/51/00/642855100.db2.gz MZZMELIBYUWVLA-IUODEOHRSA-N 1 0 375.332 2.425 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000535840710 650791795 /nfs/dbraw/zinc/79/17/95/650791795.db2.gz XXDASWRSYDLSKR-CQSZACIVSA-N 1 0 375.560 2.035 20 0 GEADRO C[NH+]1CCC(NC(=S)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000063847561 642863832 /nfs/dbraw/zinc/86/38/32/642863832.db2.gz OQAZKGJVHLBTMA-UHFFFAOYSA-N 1 0 386.315 2.236 20 0 GEADRO O=C(C[NH+]1CCC(OCCO)CC1)NCCc1cccc(Cl)c1Cl ZINC000536001989 650793638 /nfs/dbraw/zinc/79/36/38/650793638.db2.gz HMGPESFEBKNZCJ-UHFFFAOYSA-N 1 0 375.296 2.125 20 0 GEADRO Cc1c(I)cc(Br)cc1C(=O)N[C@@H](C)C[NH3+] ZINC000876829950 653449638 /nfs/dbraw/zinc/44/96/38/653449638.db2.gz VTFPLQOEBMXVIA-LURJTMIESA-N 1 0 397.054 2.439 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000066106161 642898112 /nfs/dbraw/zinc/89/81/12/642898112.db2.gz FTVKSMNGHOVNEL-LBPRGKRZSA-N 1 0 389.315 2.317 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000066138226 642898575 /nfs/dbraw/zinc/89/85/75/642898575.db2.gz UFYZTSKWNOBZOA-CYBMUJFWSA-N 1 0 384.318 2.416 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000066223599 642901352 /nfs/dbraw/zinc/90/13/52/642901352.db2.gz HPZHQYZRDZSECJ-CQSZACIVSA-N 1 0 380.286 2.393 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000066223756 642901549 /nfs/dbraw/zinc/90/15/49/642901549.db2.gz GSTROUGQNQTNFC-ZDUSSCGKSA-N 1 0 380.286 2.393 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066223004 642901637 /nfs/dbraw/zinc/90/16/37/642901637.db2.gz IPQXZSIGOOGOQM-ZDUSSCGKSA-N 1 0 396.285 2.093 20 0 GEADRO CCCC(=O)N1CSC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000066306281 642907419 /nfs/dbraw/zinc/90/74/19/642907419.db2.gz SNCLWMFQYCMACZ-OAHLLOKOSA-N 1 0 385.599 2.166 20 0 GEADRO CC(C)C[N@@H+](CC(N)=O)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000066420606 642912804 /nfs/dbraw/zinc/91/28/04/642912804.db2.gz DENWVPMPADLUPJ-GFCCVEGCSA-N 1 0 393.709 2.286 20 0 GEADRO CN(C)c1nn(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c(=S)s1 ZINC000066449069 642913848 /nfs/dbraw/zinc/91/38/48/642913848.db2.gz MGYXWTMPMVMHCH-UHFFFAOYSA-N 1 0 399.508 2.284 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[N@H+](C)Cc2cc(Br)cs2)C[C@H](C)O1 ZINC000066483294 642916419 /nfs/dbraw/zinc/91/64/19/642916419.db2.gz KSHVKZDFHXJELQ-MBNYWOFBSA-N 1 0 377.348 2.413 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000536171295 650797821 /nfs/dbraw/zinc/79/78/21/650797821.db2.gz KMGBEPGROQLXPP-LBPRGKRZSA-N 1 0 378.274 2.101 20 0 GEADRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000066812939 642940344 /nfs/dbraw/zinc/94/03/44/642940344.db2.gz XWDWWTGPXQMQLG-UHFFFAOYSA-N 1 0 380.539 2.139 20 0 GEADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000493980248 650800172 /nfs/dbraw/zinc/80/01/72/650800172.db2.gz VUWGMNVPTMQOQK-BFYDXBDKSA-N 1 0 383.330 2.350 20 0 GEADRO Cc1nc2ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]3CCCCO3)cc2s1 ZINC000494028333 650800301 /nfs/dbraw/zinc/80/03/01/650800301.db2.gz QKKAYZFXMPKKIO-HNNXBMFYSA-N 1 0 383.539 2.183 20 0 GEADRO CN(CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C(=O)c1ccc(Br)o1 ZINC000066943995 642955562 /nfs/dbraw/zinc/95/55/62/642955562.db2.gz KLASVEANQMQHIU-CYBMUJFWSA-N 1 0 398.301 2.201 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2nc3c(cccc3Br)s2)C1 ZINC000494049559 650800935 /nfs/dbraw/zinc/80/09/35/650800935.db2.gz OOMGEDDDSRDSFC-CQSZACIVSA-N 1 0 385.287 2.247 20 0 GEADRO COCCO[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000536373879 650801482 /nfs/dbraw/zinc/80/14/82/650801482.db2.gz FLGDAMHVOYCHPK-HNNXBMFYSA-N 1 0 396.285 2.084 20 0 GEADRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000494249797 650802490 /nfs/dbraw/zinc/80/24/90/650802490.db2.gz CXNLUFJITAHWOY-CXAGYDPISA-N 1 0 385.302 2.443 20 0 GEADRO C[C@H]1CCCCN1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000068347821 642990003 /nfs/dbraw/zinc/99/00/03/642990003.db2.gz MYXWHYNBDFQIJC-AWEZNQCLSA-N 1 0 375.485 2.448 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1cccc(Br)c1 ZINC000536522830 650804283 /nfs/dbraw/zinc/80/42/83/650804283.db2.gz XVDQZJMZLDOPDM-ZBFHGGJFSA-N 1 0 390.285 2.024 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068811705 643011981 /nfs/dbraw/zinc/01/19/81/643011981.db2.gz RIPGAVDUSQFKNP-UHFFFAOYSA-N 1 0 396.329 2.382 20 0 GEADRO C=C(Br)CNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069304719 643029090 /nfs/dbraw/zinc/02/90/90/643029090.db2.gz SXDIUBAZMZWGAM-INIZCTEOSA-N 1 0 381.318 2.183 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1cccc(Br)c1 ZINC000069577893 643035555 /nfs/dbraw/zinc/03/55/55/643035555.db2.gz QVYPCGIXOLTJGR-OAHLLOKOSA-N 1 0 385.302 2.445 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC([NH+]2CCCC2)CC1 ZINC000069608271 643036858 /nfs/dbraw/zinc/03/68/58/643036858.db2.gz VQXUUMXUUHHDCN-UHFFFAOYSA-N 1 0 391.317 2.485 20 0 GEADRO O=C(COc1ccc(Br)cc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069710014 643039572 /nfs/dbraw/zinc/03/95/72/643039572.db2.gz GJNXIIGVTAMXAL-HNNXBMFYSA-N 1 0 397.313 2.399 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1Br ZINC000070149334 643048642 /nfs/dbraw/zinc/04/86/42/643048642.db2.gz YHPUTDOQEIZRAY-NSHDSACASA-N 1 0 377.304 2.350 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(I)cc1 ZINC000070149429 643048705 /nfs/dbraw/zinc/04/87/05/643048705.db2.gz ABGKJUXOCJTALV-LBPRGKRZSA-N 1 0 394.278 2.183 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000070149517 643049286 /nfs/dbraw/zinc/04/92/86/643049286.db2.gz MLPLEISMPSBDKW-AWEZNQCLSA-N 1 0 375.332 2.426 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccccc2I)C1 ZINC000070174412 643049825 /nfs/dbraw/zinc/04/98/25/643049825.db2.gz XAHKGSQVSRXUHO-VXGBXAGGSA-N 1 0 387.265 2.289 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2ccccc2I)cn1 ZINC000072246979 643062463 /nfs/dbraw/zinc/06/24/63/643062463.db2.gz VBWBUWMLQUYBPB-UHFFFAOYSA-N 1 0 384.221 2.302 20 0 GEADRO CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000080218795 643064299 /nfs/dbraw/zinc/06/42/99/643064299.db2.gz RWFUQERZAFMGRG-INIZCTEOSA-N 1 0 375.579 2.209 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3cc(Br)cnc23)[C@H](C)C1 ZINC000091736992 643066401 /nfs/dbraw/zinc/06/64/01/643066401.db2.gz KXVPXPAKOFQOCM-BXUZGUMPSA-N 1 0 380.290 2.294 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000091759687 643067121 /nfs/dbraw/zinc/06/71/21/643067121.db2.gz YOULFUVBUJGGSS-UONOGXRCSA-N 1 0 397.317 2.478 20 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/nfs/dbraw/zinc/09/32/23/643093223.db2.gz ZRGAOQLXDRBQCY-ZDUSSCGKSA-N 1 0 377.913 2.031 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCc1ccc(Cl)s1 ZINC000102048214 643121426 /nfs/dbraw/zinc/12/14/26/643121426.db2.gz IHTXCRFLWTVHSY-CQSZACIVSA-N 1 0 386.949 2.186 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCc1ccc(Cl)s1 ZINC000102048210 643121572 /nfs/dbraw/zinc/12/15/72/643121572.db2.gz IHTXCRFLWTVHSY-AWEZNQCLSA-N 1 0 386.949 2.186 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)Cc1ccc(Cl)s1 ZINC000102051114 643121845 /nfs/dbraw/zinc/12/18/45/643121845.db2.gz TVUFPWARMSNMIQ-CQSZACIVSA-N 1 0 386.949 2.486 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000102488073 643128157 /nfs/dbraw/zinc/12/81/57/643128157.db2.gz YUSMUQRCPKQRQB-UHFFFAOYSA-N 1 0 382.346 2.480 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000103118632 643153690 /nfs/dbraw/zinc/15/36/90/643153690.db2.gz HGDLERNUNATGOT-UHFFFAOYSA-N 1 0 385.555 2.091 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000103520283 643169231 /nfs/dbraw/zinc/16/92/31/643169231.db2.gz MBHIHJKIMRLROY-UHFFFAOYSA-N 1 0 389.315 2.019 20 0 GEADRO CCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000103499836 643169292 /nfs/dbraw/zinc/16/92/92/643169292.db2.gz DFTZPORFCLDXMJ-OFQRWUPVSA-N 1 0 384.567 2.483 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000103607118 643171067 /nfs/dbraw/zinc/17/10/67/643171067.db2.gz XRYDIOYCCOEUFQ-UHFFFAOYSA-N 1 0 386.949 2.140 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103633011 643171516 /nfs/dbraw/zinc/17/15/16/643171516.db2.gz LJOYZRBPFQFXNT-UHFFFAOYSA-N 1 0 382.302 2.496 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000104185714 643179599 /nfs/dbraw/zinc/17/95/99/643179599.db2.gz ULQRCGABZDQNFM-BBRMVZONSA-N 1 0 394.313 2.122 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(Cc3c(Br)cnn3C)CC2)CC1 ZINC000494943272 650819492 /nfs/dbraw/zinc/81/94/92/650819492.db2.gz VKBQAQTWBSJSKL-UHFFFAOYSA-N 1 0 384.366 2.173 20 0 GEADRO C[C@H]([C@H](C)NC(=O)c1cc(Br)cnc1Cl)N1CCOCC1 ZINC000104599627 643185919 /nfs/dbraw/zinc/18/59/19/643185919.db2.gz OJFBQSUVZZUHRO-VHSXEESVSA-N 1 0 376.682 2.337 20 0 GEADRO O=C1CCCN1C1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000104728704 643189188 /nfs/dbraw/zinc/18/91/88/643189188.db2.gz DYKFLQDQCAWCTM-INIZCTEOSA-N 1 0 397.313 2.276 20 0 GEADRO C[N@H+](CCN1CCN(S(=O)(=O)c2cccs2)CC1)Cc1ccccc1 ZINC000104744330 643190350 /nfs/dbraw/zinc/19/03/50/643190350.db2.gz QOUYDNBDYMGJQS-UHFFFAOYSA-N 1 0 379.551 2.186 20 0 GEADRO CCOCC[NH+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000106105933 643222411 /nfs/dbraw/zinc/22/24/11/643222411.db2.gz QDJOGQHABUHFCA-CQSZACIVSA-N 1 0 377.312 2.387 20 0 GEADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000495081626 650822663 /nfs/dbraw/zinc/82/26/63/650822663.db2.gz HNKZNMQLGGMBEX-AWEZNQCLSA-N 1 0 382.302 2.216 20 0 GEADRO Cc1cc(COc2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2Br)on1 ZINC000495111103 650822888 /nfs/dbraw/zinc/82/28/88/650822888.db2.gz KUHLSRKKGOQZEG-VIKVFOODSA-N 1 0 392.253 2.272 20 0 GEADRO COc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(Cl)c1OC ZINC000106367134 643229350 /nfs/dbraw/zinc/22/93/50/643229350.db2.gz MOROXFZGJIKJFH-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cccc(Br)c3)C2)CC1 ZINC000106548915 643233807 /nfs/dbraw/zinc/23/38/07/643233807.db2.gz AXXUGPUPNHVFSF-QGZVFWFLSA-N 1 0 395.345 2.371 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)Cc1ccccc1Br ZINC000106580722 643234456 /nfs/dbraw/zinc/23/44/56/643234456.db2.gz XALWMXGGRBNNMH-AWEZNQCLSA-N 1 0 383.334 2.226 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(OC)c(Br)c3)C2)CC1 ZINC000106806543 643239660 /nfs/dbraw/zinc/23/96/60/643239660.db2.gz BOMXWOZCOPECPP-HNNXBMFYSA-N 1 0 396.329 2.310 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000106818874 643240146 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CNS(=O)(=O)c1ccccc1N1CC[NH+](CCCc2ccsc2)CC1 ZINC000542101473 650886945 /nfs/dbraw/zinc/88/69/45/650886945.db2.gz YMZLPHFXFFAOND-UHFFFAOYSA-N 1 0 379.551 2.411 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3cc(Cl)ccc3O)C2)cc1 ZINC000154608692 644055842 /nfs/dbraw/zinc/05/58/42/644055842.db2.gz AJDPJWOMVFLELH-UHFFFAOYSA-N 1 0 382.869 2.217 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000155100283 644063566 /nfs/dbraw/zinc/06/35/66/644063566.db2.gz OZESWCGELHJFIV-OAHLLOKOSA-N 1 0 390.908 2.353 20 0 GEADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000155439696 644071393 /nfs/dbraw/zinc/07/13/93/644071393.db2.gz OKFUBFQDAIIDKV-QGZVFWFLSA-N 1 0 386.323 2.267 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155602412 644077141 /nfs/dbraw/zinc/07/71/41/644077141.db2.gz QODBRTIMGPTZDH-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCC[C@@H](C)[NH+]3CCCCC3)cnc2c1Cl ZINC000542319958 650890279 /nfs/dbraw/zinc/89/02/79/650890279.db2.gz DECJZXCZPQXABG-GFCCVEGCSA-N 1 0 385.921 2.234 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000156182561 644086206 /nfs/dbraw/zinc/08/62/06/644086206.db2.gz MAHMUTPFCONPAF-CHWSQXEVSA-N 1 0 385.917 2.079 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000156489591 644098453 /nfs/dbraw/zinc/09/84/53/644098453.db2.gz ZAIDASWLRLFMOP-BFHYXJOUSA-N 1 0 394.313 2.388 20 0 GEADRO C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@H]1C[NH3+] ZINC000156699474 644113057 /nfs/dbraw/zinc/11/30/57/644113057.db2.gz VXNIPPWSHOUZNG-WQVCFCJDSA-N 1 0 394.313 2.388 20 0 GEADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000156775327 644117178 /nfs/dbraw/zinc/11/71/78/644117178.db2.gz CWQIQHFZYZKWSL-AWEZNQCLSA-N 1 0 386.323 2.452 20 0 GEADRO COc1ccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(I)c1 ZINC000158501262 644147490 /nfs/dbraw/zinc/14/74/90/644147490.db2.gz AWAWMLKORJZGPQ-HNNXBMFYSA-N 1 0 386.233 2.125 20 0 GEADRO 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[NH3+][C@@H]1CCC[C@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000161955534 644226514 /nfs/dbraw/zinc/22/65/14/644226514.db2.gz YDDJIXUCIQHCPB-NEPJUHHUSA-N 1 0 386.265 2.094 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000162043846 644230516 /nfs/dbraw/zinc/23/05/16/644230516.db2.gz YYUCBLDCRWPNDQ-KBPBESRZSA-N 1 0 385.917 2.124 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000162098572 644231867 /nfs/dbraw/zinc/23/18/67/644231867.db2.gz XVHSDLIIMBCHFA-LLVKDONJSA-N 1 0 377.869 2.200 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000162090441 644231982 /nfs/dbraw/zinc/23/19/82/644231982.db2.gz OIBQHQAXVRPXEY-VXGBXAGGSA-N 1 0 387.933 2.417 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cccc(OC(F)F)c1 ZINC000162369180 644235220 /nfs/dbraw/zinc/23/52/20/644235220.db2.gz SDHZSOIWUOBSEY-LLVKDONJSA-N 1 0 375.397 2.046 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000162552143 644238541 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COC(=O)c1cc(Br)c(F)cc1NC(=O)N(C)CC[NH+](C)C ZINC000543306476 650906406 /nfs/dbraw/zinc/90/64/06/650906406.db2.gz BNPLKNRWERAWFB-UHFFFAOYSA-N 1 0 376.226 2.400 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000170836775 644291471 /nfs/dbraw/zinc/29/14/71/644291471.db2.gz HENISARBSFHHPW-GFCCVEGCSA-N 1 0 386.290 2.312 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)C[C@H]1CCCCO1 ZINC000171087303 644307080 /nfs/dbraw/zinc/30/70/80/644307080.db2.gz ALWRXTKIZWKEAX-MRXNPFEDSA-N 1 0 376.469 2.227 20 0 GEADRO Cc1nc(C(=O)NCCOCC[NH+](C)C)nn1-c1c(Cl)cccc1Cl ZINC000543388141 650909062 /nfs/dbraw/zinc/90/90/62/650909062.db2.gz PXDKOBQTZOKYTE-UHFFFAOYSA-N 1 0 386.283 2.191 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cn3)nc2)CC1 ZINC000171381309 644321152 /nfs/dbraw/zinc/32/11/52/644321152.db2.gz OBCCBZMGZIURJN-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCSC(F)(F)F)CC1 ZINC000171642856 644331098 /nfs/dbraw/zinc/33/10/98/644331098.db2.gz MASLWDUYOBMSMS-ZIAGYGMSSA-N 1 0 382.496 2.439 20 0 GEADRO CN(CC1CC[NH+](C)CC1)Cn1nc(Br)nc1Br ZINC000175235322 644387265 /nfs/dbraw/zinc/38/72/65/644387265.db2.gz ZPSLKKSNZVDHEN-UHFFFAOYSA-N 1 0 381.116 2.034 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c(Cl)cc1Cl ZINC000175279638 644388468 /nfs/dbraw/zinc/38/84/68/644388468.db2.gz ZSIHTMKRZJJDGZ-JTQLQIEISA-N 1 0 395.308 2.495 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc3ncc(I)n3c2)CC1 ZINC000178816813 644442319 /nfs/dbraw/zinc/44/23/19/644442319.db2.gz XWPPNBFTHBNQFA-JTQLQIEISA-N 1 0 398.248 2.138 20 0 GEADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000178904538 644444043 /nfs/dbraw/zinc/44/40/43/644444043.db2.gz UETYRBNMGGDYKP-QMMMGPOBSA-N 1 0 387.221 2.437 20 0 GEADRO CCOc1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1Br ZINC000178936949 644446007 /nfs/dbraw/zinc/44/60/07/644446007.db2.gz AHHGGEVGMQNJGH-LLVKDONJSA-N 1 0 377.304 2.126 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(I)c1 ZINC000178935329 644446090 /nfs/dbraw/zinc/44/60/90/644446090.db2.gz KVPHVUHGIXPLNO-LBPRGKRZSA-N 1 0 394.278 2.054 20 0 GEADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000178946920 644447607 /nfs/dbraw/zinc/44/76/07/644447607.db2.gz AYEIAQFUIYDVCX-MRVPVSSYSA-N 1 0 387.221 2.450 20 0 GEADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1scc(Br)c1Br ZINC000178957980 644447847 /nfs/dbraw/zinc/44/78/47/644447847.db2.gz FZEBVRIBPZTKIH-RXMQYKEDSA-N 1 0 392.138 2.241 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543752128 650922571 /nfs/dbraw/zinc/92/25/71/650922571.db2.gz NJJNDRLYMMDHFK-STQMWFEESA-N 1 0 385.555 2.087 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000179741630 644473375 /nfs/dbraw/zinc/47/33/75/644473375.db2.gz XPBCGPARWAAOCI-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000180121459 644489800 /nfs/dbraw/zinc/48/98/00/644489800.db2.gz KTTWBNYUAZEIIA-SNVBAGLBSA-N 1 0 390.228 2.218 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCCC2)ccc1Br ZINC000180152698 644491752 /nfs/dbraw/zinc/49/17/52/644491752.db2.gz MERSYFIHOUDRNM-UHFFFAOYSA-N 1 0 389.315 2.416 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000180561580 644507216 /nfs/dbraw/zinc/50/72/16/644507216.db2.gz ZWGVMUHIJMUTQO-AWEZNQCLSA-N 1 0 393.272 2.462 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000181131518 644524999 /nfs/dbraw/zinc/52/49/99/644524999.db2.gz SYDOMRAOTHSRRP-NWDGAFQWSA-N 1 0 382.302 2.212 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000181147845 644526474 /nfs/dbraw/zinc/52/64/74/644526474.db2.gz MOJIMBSATVAGIH-ZDUSSCGKSA-N 1 0 380.279 2.226 20 0 GEADRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000181502341 644539755 /nfs/dbraw/zinc/53/97/55/644539755.db2.gz HPPBOANFPZCTTA-ZDUSSCGKSA-N 1 0 382.507 2.491 20 0 GEADRO CC(C)(C)OC(=O)CCCC[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000544133455 650935775 /nfs/dbraw/zinc/93/57/75/650935775.db2.gz XULQKOOCVIGKKL-HZPDHXFCSA-N 1 0 375.531 2.167 20 0 GEADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000544397556 650940958 /nfs/dbraw/zinc/94/09/58/650940958.db2.gz GDJUJFBHLUFNAG-KRWDZBQOSA-N 1 0 379.507 2.383 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc(Br)c2F)C[C@H]1[NH+](C)C ZINC000544351379 650939905 /nfs/dbraw/zinc/93/99/05/650939905.db2.gz QSNMFLCBJKPNDR-MNOVXSKESA-N 1 0 397.335 2.254 20 0 GEADRO COC[C@H]([NH2+]CC(=O)Nc1ccccc1I)C(C)C ZINC000544415322 650941899 /nfs/dbraw/zinc/94/18/99/650941899.db2.gz NXAZFGSMKHWECJ-ZDUSSCGKSA-N 1 0 376.238 2.490 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)C1CC1 ZINC000545155035 650962899 /nfs/dbraw/zinc/96/28/99/650962899.db2.gz DAFOOYRLGLYWQA-GFCCVEGCSA-N 1 0 375.803 2.336 20 0 GEADRO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000182164519 644958956 /nfs/dbraw/zinc/95/89/56/644958956.db2.gz FWFPNCNEXMVSGK-BLLLJJGKSA-N 1 0 382.507 2.192 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cnc1Br ZINC000182669621 644967169 /nfs/dbraw/zinc/96/71/69/644967169.db2.gz MKGGPXWZSQIMNW-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO C[S@](=O)C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000183094170 644979804 /nfs/dbraw/zinc/97/98/04/644979804.db2.gz OHIBLFNEWGZGEP-KOSHJBKYSA-N 1 0 381.519 2.178 20 0 GEADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000183172751 644983408 /nfs/dbraw/zinc/98/34/08/644983408.db2.gz GHHDNUFNFNNCLW-ZETCQYMHSA-N 1 0 391.209 2.315 20 0 GEADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000185077456 645033888 /nfs/dbraw/zinc/03/38/88/645033888.db2.gz LKMQBDPYIKNLTA-UHFFFAOYSA-N 1 0 382.452 2.330 20 0 GEADRO Nc1cc(Br)ccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000185259344 645039990 /nfs/dbraw/zinc/03/99/90/645039990.db2.gz YOJAWZYWZYNUAX-CYBMUJFWSA-N 1 0 382.302 2.216 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000185436397 645045603 /nfs/dbraw/zinc/04/56/03/645045603.db2.gz IDXRRAXKYUBHRV-UHFFFAOYSA-N 1 0 395.356 2.083 20 0 GEADRO CCN(C)C(=O)CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000186180403 645063074 /nfs/dbraw/zinc/06/30/74/645063074.db2.gz IZLDCIFGCZPUOH-UHFFFAOYSA-N 1 0 399.333 2.001 20 0 GEADRO C[NH+]1CCC(NC(=O)c2ncc(Br)cc2Br)CC1 ZINC000186388114 645066429 /nfs/dbraw/zinc/06/64/29/645066429.db2.gz XXSRGSBGFZRUMW-UHFFFAOYSA-N 1 0 377.080 2.431 20 0 GEADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186393099 645066893 /nfs/dbraw/zinc/06/68/93/645066893.db2.gz CRUDQDIFZBBTQS-UHFFFAOYSA-N 1 0 382.452 2.186 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186728146 645072486 /nfs/dbraw/zinc/07/24/86/645072486.db2.gz YMVMOUZYGSWRBK-RRFJBIMHSA-N 1 0 384.567 2.465 20 0 GEADRO COc1c(Br)cccc1C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000187293706 645087050 /nfs/dbraw/zinc/08/70/50/645087050.db2.gz BTJWKHUAKTXZSE-RISCZKNCSA-N 1 0 391.331 2.265 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187304763 645087917 /nfs/dbraw/zinc/08/79/17/645087917.db2.gz LSWZQMPMMIOYDO-CQSZACIVSA-N 1 0 384.318 2.402 20 0 GEADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1(C)C ZINC000187648546 645096556 /nfs/dbraw/zinc/09/65/56/645096556.db2.gz XBRGHDTXAHNSFR-LRDDRELGSA-N 1 0 376.425 2.154 20 0 GEADRO Cc1ccc(CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1Br ZINC000187936079 645101664 /nfs/dbraw/zinc/10/16/64/645101664.db2.gz DFABOFIKXYZCDQ-CQSZACIVSA-N 1 0 382.346 2.300 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)sc1Cl ZINC000188053376 645105317 /nfs/dbraw/zinc/10/53/17/645105317.db2.gz GVVAMXMFYPMQRF-ZDUSSCGKSA-N 1 0 379.979 2.260 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl)CN1CC[NH+](C)CC1 ZINC000188053762 645105390 /nfs/dbraw/zinc/10/53/90/645105390.db2.gz WPGFTZXMHXBNBA-LLVKDONJSA-N 1 0 398.331 2.294 20 0 GEADRO C[C@H]1CN(C(=O)NCc2sccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000188103129 645107947 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COc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000546019578 650987602 /nfs/dbraw/zinc/98/76/02/650987602.db2.gz BATUOJGWESLOKB-ZDUSSCGKSA-N 1 0 384.318 2.214 20 0 GEADRO Cn1nc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000192083042 645192205 /nfs/dbraw/zinc/19/22/05/645192205.db2.gz SBZFAMGKZPUIES-UHFFFAOYSA-N 1 0 378.274 2.187 20 0 GEADRO Cc1csc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1I ZINC000192481403 645208824 /nfs/dbraw/zinc/20/88/24/645208824.db2.gz ROOJYDQZJOBRRV-AOOOYVTPSA-N 1 0 376.263 2.295 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)C[C@H]2C1 ZINC000192489257 645209472 /nfs/dbraw/zinc/20/94/72/645209472.db2.gz SNOYVBAGAJAICQ-TXEJJXNPSA-N 1 0 376.507 2.019 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]2C1 ZINC000192500081 645209851 /nfs/dbraw/zinc/20/98/51/645209851.db2.gz PHPDVIXFFYWGEU-OKILXGFUSA-N 1 0 375.270 2.268 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546063780 650989980 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C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000237490064 645433794 /nfs/dbraw/zinc/43/37/94/645433794.db2.gz PIIWBVNUEUILFI-ZETCQYMHSA-N 1 0 375.210 2.436 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237505946 645434481 /nfs/dbraw/zinc/43/44/81/645434481.db2.gz XDKCTPMSYYTZJQ-JOYOIKCWSA-N 1 0 392.275 2.105 20 0 GEADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000237511582 645434521 /nfs/dbraw/zinc/43/45/21/645434521.db2.gz DCBQLLFEZVAGNN-ZDUSSCGKSA-N 1 0 387.933 2.175 20 0 GEADRO Cc1c(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000237592490 645437436 /nfs/dbraw/zinc/43/74/36/645437436.db2.gz HKRWJNFYAZZIPD-WDEREUQCSA-N 1 0 378.274 2.161 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000237601813 645438103 /nfs/dbraw/zinc/43/81/03/645438103.db2.gz DGTIVMPWQXGLFR-LLVKDONJSA-N 1 0 388.331 2.317 20 0 GEADRO [NH3+]C[C@H](C(=O)NC[C@H](O)COc1ccccc1Br)c1ccccc1 ZINC000237822815 645444248 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C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000268784111 645998589 /nfs/dbraw/zinc/99/85/89/645998589.db2.gz DGSJFCPINKEDTK-TZMCWYRMSA-N 1 0 386.309 2.129 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000268892564 646003532 /nfs/dbraw/zinc/00/35/32/646003532.db2.gz YMFOZWYLQANHJC-LBPRGKRZSA-N 1 0 379.448 2.272 20 0 GEADRO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cccc(N2CCCS2(=O)=O)c1 ZINC000268912355 646005098 /nfs/dbraw/zinc/00/50/98/646005098.db2.gz NDWYLJPWVAQBCC-CYBMUJFWSA-N 1 0 379.448 2.371 20 0 GEADRO CCCc1c(C(=O)N2CC[NH2+]CC2)nnn1Cc1cccc(Br)c1 ZINC000269105387 646015697 /nfs/dbraw/zinc/01/56/97/646015697.db2.gz JOUSYHXEPBBYRY-UHFFFAOYSA-N 1 0 392.301 2.087 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000269140400 646019063 /nfs/dbraw/zinc/01/90/63/646019063.db2.gz ZRNRSQLAZXSGSR-NSHDSACASA-N 1 0 394.235 2.444 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000269211021 646022506 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C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cncc(Br)c3)C2)CC1 ZINC000270269230 646098446 /nfs/dbraw/zinc/09/84/46/646098446.db2.gz VPFJGLWRZNMFPK-ZDUSSCGKSA-N 1 0 388.331 2.197 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc(CSc3nc[nH]n3)cc2)C[C@H]1[NH+](C)C ZINC000270750009 646134681 /nfs/dbraw/zinc/13/46/81/646134681.db2.gz MNRAQLHJLIVLFK-HUUCEWRRSA-N 1 0 377.539 2.215 20 0 GEADRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000270953204 646157351 /nfs/dbraw/zinc/15/73/51/646157351.db2.gz MJSZXQRMBNAKAI-IUODEOHRSA-N 1 0 382.302 2.009 20 0 GEADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccncc3Br)CC2)CC1 ZINC000270994875 646163530 /nfs/dbraw/zinc/16/35/30/646163530.db2.gz YJOXIBIHMRYKRS-UHFFFAOYSA-N 1 0 395.345 2.475 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000271007074 646164767 /nfs/dbraw/zinc/16/47/67/646164767.db2.gz RHIYLGUEFCTYJG-CABCVRRESA-N 1 0 396.285 2.139 20 0 GEADRO c1csc(CC[NH+]2CCN(Cc3cnc(N4CCOCC4)s3)CC2)c1 ZINC000271093136 646172762 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GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(F)cc1Br)CCO2 ZINC000271984086 646245385 /nfs/dbraw/zinc/24/53/85/646245385.db2.gz KCSYLLGKYLJWPR-HIFRSBDPSA-N 1 0 392.290 2.414 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)CCO2 ZINC000272083391 646252976 /nfs/dbraw/zinc/25/29/76/646252976.db2.gz RONUCWVCUADKTN-PBHICJAKSA-N 1 0 375.437 2.156 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)CCO2 ZINC000272113917 646254278 /nfs/dbraw/zinc/25/42/78/646254278.db2.gz YESJGYOCLRXNCU-WFASDCNBSA-N 1 0 392.290 2.414 20 0 GEADRO COc1ccc(Br)cc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000272296868 646264296 /nfs/dbraw/zinc/26/42/96/646264296.db2.gz CIDMPZLILPOUDN-UHFFFAOYSA-N 1 0 386.290 2.378 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3Br)[C@@H]2C1 ZINC000272308719 646264938 /nfs/dbraw/zinc/26/49/38/646264938.db2.gz IJZKSUDEWBLQEC-QMTHXVAHSA-N 1 0 384.249 2.079 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272354426 646269059 /nfs/dbraw/zinc/26/90/59/646269059.db2.gz REMNNSQZJGAOJW-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO CC(C)(O)C(C)(C)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000272446392 646273472 /nfs/dbraw/zinc/27/34/72/646273472.db2.gz CZGRIIUUUSZWNV-UHFFFAOYSA-N 1 0 376.238 2.369 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCN(CCC(F)(F)F)CC2)s1 ZINC000272531000 646275641 /nfs/dbraw/zinc/27/56/41/646275641.db2.gz JCRWERSUTRZYKI-UHFFFAOYSA-N 1 0 399.504 2.341 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000273040160 646298633 /nfs/dbraw/zinc/29/86/33/646298633.db2.gz DUSWIANDDUXTIY-GFCCVEGCSA-N 1 0 390.527 2.086 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000273095483 646303441 /nfs/dbraw/zinc/30/34/41/646303441.db2.gz ORDNEIZCYAIJDK-DOMZBBRYSA-N 1 0 383.286 2.357 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)nc1 ZINC000273132820 646306680 /nfs/dbraw/zinc/30/66/80/646306680.db2.gz RTLBREQENCREPY-MRXNPFEDSA-N 1 0 390.281 2.341 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000274495305 646322186 /nfs/dbraw/zinc/32/21/86/646322186.db2.gz IDPALNUCTBQMGK-BONVTDFDSA-N 1 0 398.276 2.434 20 0 GEADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cc(F)cc(Cl)c3)CC2)cn1 ZINC000274957541 646337139 /nfs/dbraw/zinc/33/71/39/646337139.db2.gz FWKIGCHPLMYPIN-UHFFFAOYSA-N 1 0 386.880 2.156 20 0 GEADRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000275253570 646349734 /nfs/dbraw/zinc/34/97/34/646349734.db2.gz QSSNEXHDADMVHW-KBPBESRZSA-N 1 0 376.425 2.169 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000276148222 646368776 /nfs/dbraw/zinc/36/87/76/646368776.db2.gz PMNWMNCSPOGIJH-UHFFFAOYSA-N 1 0 382.507 2.117 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2csc(Cl)c2)c1 ZINC000276166681 646370208 /nfs/dbraw/zinc/37/02/08/646370208.db2.gz DVDJQDAUPJBDGQ-UHFFFAOYSA-N 1 0 387.914 2.494 20 0 GEADRO NC(=O)c1cccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c1 ZINC000277114323 646378827 /nfs/dbraw/zinc/37/88/27/646378827.db2.gz YBGNYSMIDALLPA-CQSZACIVSA-N 1 0 377.282 2.489 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1Br ZINC000277220772 646390746 /nfs/dbraw/zinc/39/07/46/646390746.db2.gz ZAFXDEGVECGLAR-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO CSCC[C@@H]1NC(=S)N(C[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1=O ZINC000277259547 646395162 /nfs/dbraw/zinc/39/51/62/646395162.db2.gz HTZJNXJUENNBIR-HOTGVXAUSA-N 1 0 395.619 2.442 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)[NH+](C)C ZINC000277356824 646406963 /nfs/dbraw/zinc/40/69/63/646406963.db2.gz BXKOQLLMOPJFDQ-WFASDCNBSA-N 1 0 382.302 2.006 20 0 GEADRO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)C1CC1 ZINC000277368903 646408792 /nfs/dbraw/zinc/40/87/92/646408792.db2.gz CYBQBOYFBLURFG-INIZCTEOSA-N 1 0 394.313 2.151 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000277385291 646411347 /nfs/dbraw/zinc/41/13/47/646411347.db2.gz FMQIHOIUPPWLDN-HOCLYGCPSA-N 1 0 394.313 2.008 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000277411509 646415649 /nfs/dbraw/zinc/41/56/49/646415649.db2.gz FMKCLUNGSNLDSK-OIUHTZQUSA-N 1 0 381.270 2.348 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000277484475 646429365 /nfs/dbraw/zinc/42/93/65/646429365.db2.gz JDRZOBVWYYWYGU-DQYPLSBCSA-N 1 0 386.323 2.481 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000277530683 646437624 /nfs/dbraw/zinc/43/76/24/646437624.db2.gz LOWFZMRELRDHGP-WBMJQRKESA-N 1 0 387.933 2.097 20 0 GEADRO Cc1c(Br)cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c(=O)n1C ZINC000277852734 646478562 /nfs/dbraw/zinc/47/85/62/646478562.db2.gz QWYKTZWVUVNLMD-UHFFFAOYSA-N 1 0 379.258 2.165 20 0 GEADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)nc2Cl)CCCO1 ZINC000277912121 646481893 /nfs/dbraw/zinc/48/18/93/646481893.db2.gz POEKDVVWFGNXDO-NSHDSACASA-N 1 0 382.313 2.168 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)C[NH+]1CCCCC1 ZINC000278561261 646525505 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COC[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCCO1 ZINC000279002268 646570068 /nfs/dbraw/zinc/57/00/68/646570068.db2.gz CWOHFGLSKSBVLS-STQMWFEESA-N 1 0 393.228 2.449 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncc(Cn2cc(Br)cn2)s1 ZINC000279068934 646575606 /nfs/dbraw/zinc/57/56/06/646575606.db2.gz TVZUBXSSWIJMTP-GFCCVEGCSA-N 1 0 399.362 2.198 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000279196094 646582356 /nfs/dbraw/zinc/58/23/56/646582356.db2.gz KWVBTLJZLXYSBH-GDBMZVCRSA-N 1 0 396.329 2.112 20 0 GEADRO Cc1nn(C)c(C[NH2+]CCCN2C(=O)COc3ccccc32)c1Br ZINC000279203163 646583238 /nfs/dbraw/zinc/58/32/38/646583238.db2.gz VEISQAIPJSRJHU-UHFFFAOYSA-N 1 0 393.285 2.396 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1Br ZINC000279394159 646597952 /nfs/dbraw/zinc/59/79/52/646597952.db2.gz HNKXDXZCHTUMJW-UHFFFAOYSA-N 1 0 387.322 2.308 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000280024829 646646061 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NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000280612909 646698255 /nfs/dbraw/zinc/69/82/55/646698255.db2.gz OYIOBXNTWJUOLI-MRVPVSSYSA-N 1 0 396.163 2.068 20 0 GEADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280731548 646710392 /nfs/dbraw/zinc/71/03/92/646710392.db2.gz LGESJSZROBIPDM-ITDIGPHOSA-N 1 0 385.810 2.394 20 0 GEADRO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280758749 646713711 /nfs/dbraw/zinc/71/37/11/646713711.db2.gz QMSAZLIQUFOZDC-QWRGUYRKSA-N 1 0 378.336 2.087 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280775914 646715498 /nfs/dbraw/zinc/71/54/98/646715498.db2.gz RVHRNKHGORBZFF-GARJFASQSA-N 1 0 379.320 2.154 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ncsc2C(F)(F)F)CC1 ZINC000280891733 646729802 /nfs/dbraw/zinc/72/98/02/646729802.db2.gz SJTIYVGGVBTXEN-UHFFFAOYSA-N 1 0 379.404 2.167 20 0 GEADRO CC[C@@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280908593 646731083 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392.301 2.330 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)Nc1ccccc1Br ZINC000281527721 646778555 /nfs/dbraw/zinc/77/85/55/646778555.db2.gz ZUGOSGFMLIEMTR-YPMHNXCESA-N 1 0 382.258 2.208 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COC1CCOCC1 ZINC000282179003 646818762 /nfs/dbraw/zinc/81/87/62/646818762.db2.gz VQYOKHYDSVVDCM-MLGOLLRUSA-N 1 0 386.286 2.419 20 0 GEADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000282187644 646819237 /nfs/dbraw/zinc/81/92/37/646819237.db2.gz ZXPIIZRBBSFNMJ-LLVKDONJSA-N 1 0 390.531 2.004 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000283653948 646825412 /nfs/dbraw/zinc/82/54/12/646825412.db2.gz YONYODULXHNWQQ-BETUJISGSA-N 1 0 388.559 2.138 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000283653953 646825564 /nfs/dbraw/zinc/82/55/64/646825564.db2.gz YONYODULXHNWQQ-CHWSQXEVSA-N 1 0 388.559 2.138 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cc2)CC[N@@H+]1C 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GEADRO Cc1nc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c(Br)n1C ZINC000319206761 647289318 /nfs/dbraw/zinc/28/93/18/647289318.db2.gz PGBJPNYHXUYIQM-UHFFFAOYSA-N 1 0 393.351 2.032 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1)COc1ccc(Cl)c(Cl)c1 ZINC000325845808 647303189 /nfs/dbraw/zinc/30/31/89/647303189.db2.gz TUPNQMMGHYDJSM-NFAWXSAZSA-N 1 0 375.296 2.186 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1)COc1ccc(Cl)c(Cl)c1 ZINC000325845807 647303495 /nfs/dbraw/zinc/30/34/95/647303495.db2.gz TUPNQMMGHYDJSM-GZBFAFLISA-N 1 0 375.296 2.186 20 0 GEADRO O=S(=O)(c1cc(F)ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)F ZINC000327408361 647308394 /nfs/dbraw/zinc/30/83/94/647308394.db2.gz GNLVJIURARCMCP-RYUDHWBXSA-N 1 0 382.379 2.394 20 0 GEADRO CN(C(=O)c1sccc1S(=O)(=O)N1CCCCC1)C1CC[NH+](C)CC1 ZINC000329121658 647318096 /nfs/dbraw/zinc/31/80/96/647318096.db2.gz WGDVASUZFUCLHC-UHFFFAOYSA-N 1 0 385.555 2.089 20 0 GEADRO Cc1cnc(N)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000329132376 647318759 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Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1F ZINC000415586297 648107458 /nfs/dbraw/zinc/10/74/58/648107458.db2.gz VNPLKABLLXSQQA-INIZCTEOSA-N 1 0 386.265 2.341 20 0 GEADRO COc1ccc(NC(=O)NCC[C@@H]2CC[NH2+]C2)c(I)c1 ZINC000415594095 648108054 /nfs/dbraw/zinc/10/80/54/648108054.db2.gz HWJGGMPQEGTSTC-JTQLQIEISA-N 1 0 389.237 2.421 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(OC)cc2I)C1 ZINC000415596746 648108474 /nfs/dbraw/zinc/10/84/74/648108474.db2.gz MBAKBLQMJKZWEL-SNVBAGLBSA-N 1 0 389.237 2.373 20 0 GEADRO COc1ccc(NC(=O)NC[C@H]([NH3+])C2CC2)c(I)c1 ZINC000415597742 648109161 /nfs/dbraw/zinc/10/91/61/648109161.db2.gz OBOSTWXRKZTAOU-NSHDSACASA-N 1 0 375.210 2.159 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(OC)cc2I)C1 ZINC000415599891 648109354 /nfs/dbraw/zinc/10/93/54/648109354.db2.gz SBFXEHKSCWVCCC-SECBINFHSA-N 1 0 375.210 2.125 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415598905 648109365 /nfs/dbraw/zinc/10/93/65/648109365.db2.gz PQLYUANGFDYWDD-UHFFFAOYSA-N 1 0 390.640 2.216 20 0 GEADRO COc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(I)c1 ZINC000415603014 648109810 /nfs/dbraw/zinc/10/98/10/648109810.db2.gz ZHSORCZIYDJCEZ-ZANVPECISA-N 1 0 389.237 2.419 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415622037 648110780 /nfs/dbraw/zinc/11/07/80/648110780.db2.gz XBUPAANDBWIEPD-KWQFWETISA-N 1 0 379.766 2.291 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415632040 648112246 /nfs/dbraw/zinc/11/22/46/648112246.db2.gz PTOPBAXYWFJDDD-QPUJVOFHSA-N 1 0 388.237 2.494 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415808866 648112686 /nfs/dbraw/zinc/11/26/86/648112686.db2.gz MJXJBJBOGFBBNM-VXGBXAGGSA-N 1 0 398.301 2.420 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415808531 648112696 /nfs/dbraw/zinc/11/26/96/648112696.db2.gz MGGXRSDKJFXYMH-DTWKUNHWSA-N 1 0 390.228 2.300 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415809753 648113149 /nfs/dbraw/zinc/11/31/49/648113149.db2.gz NHMHLWMKVQSRSQ-AAEUAGOBSA-N 1 0 398.301 2.338 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415815312 648114533 /nfs/dbraw/zinc/11/45/33/648114533.db2.gz WJFVKGAMMNHURA-RNFRBKRXSA-N 1 0 393.079 2.002 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415817085 648114539 /nfs/dbraw/zinc/11/45/39/648114539.db2.gz YKQSPVMSKGLYAK-NXEZZACHSA-N 1 0 384.267 2.029 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415815507 648114551 /nfs/dbraw/zinc/11/45/51/648114551.db2.gz SHEPACVGONLQQL-MNOVXSKESA-N 1 0 384.274 2.030 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)C1 ZINC000416410443 648116197 /nfs/dbraw/zinc/11/61/97/648116197.db2.gz FYOHTNDBCKIPDT-CQSZACIVSA-N 1 0 387.933 2.113 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C1 ZINC000416415116 648118576 /nfs/dbraw/zinc/11/85/76/648118576.db2.gz SVNAAGVXEDNBAK-LBPRGKRZSA-N 1 0 376.906 2.462 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000416419161 648121433 /nfs/dbraw/zinc/12/14/33/648121433.db2.gz TZUMMCVMFRFPHO-UHFFFAOYSA-N 1 0 381.479 2.347 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000416423278 648122881 /nfs/dbraw/zinc/12/28/81/648122881.db2.gz UBCIHUQWMYSTNU-LLVKDONJSA-N 1 0 376.906 2.381 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000416471886 648137114 /nfs/dbraw/zinc/13/71/14/648137114.db2.gz RLYZMHNOWQODOI-AWEZNQCLSA-N 1 0 387.933 2.113 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000416493601 648147959 /nfs/dbraw/zinc/14/79/59/648147959.db2.gz FPFCEIRJIKNNGL-AWEZNQCLSA-N 1 0 387.933 2.111 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000416495266 648148612 /nfs/dbraw/zinc/14/86/12/648148612.db2.gz LBCOEEFKXBOIKW-VIFPVBQESA-N 1 0 397.722 2.341 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000416550648 648168754 /nfs/dbraw/zinc/16/87/54/648168754.db2.gz FPLDYKSNRPVVBY-GFCCVEGCSA-N 1 0 376.906 2.367 20 0 GEADRO COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416552847 648169420 /nfs/dbraw/zinc/16/94/20/648169420.db2.gz IFPPIJNAGZQHQX-JKSUJKDBSA-N 1 0 388.555 2.173 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cs1 ZINC000416554212 648169931 /nfs/dbraw/zinc/16/99/31/648169931.db2.gz JIEXETWZTCYZTI-UHFFFAOYSA-N 1 0 388.536 2.349 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000416562846 648172530 /nfs/dbraw/zinc/17/25/30/648172530.db2.gz XAEQXFXZZAJHAV-UHFFFAOYSA-N 1 0 396.460 2.259 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000416564441 648173087 /nfs/dbraw/zinc/17/30/87/648173087.db2.gz SPXBTKLDELRZFH-UHFFFAOYSA-N 1 0 380.495 2.083 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000416564700 648173107 /nfs/dbraw/zinc/17/31/07/648173107.db2.gz UDKGSVABNVJIOP-UHFFFAOYSA-N 1 0 382.507 2.287 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)s1 ZINC000416666670 648206884 /nfs/dbraw/zinc/20/68/84/648206884.db2.gz XFRJQLOEEMFHTF-UHFFFAOYSA-N 1 0 390.527 2.038 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000416819544 648212597 /nfs/dbraw/zinc/21/25/97/648212597.db2.gz BFLDOVBBORBUKZ-NEPJUHHUSA-N 1 0 383.290 2.075 20 0 GEADRO COc1ccc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000416795336 648212656 /nfs/dbraw/zinc/21/26/56/648212656.db2.gz SVLZSJOXFFKQDH-NWDGAFQWSA-N 1 0 386.290 2.377 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000416831075 648214115 /nfs/dbraw/zinc/21/41/15/648214115.db2.gz PAFLOGWCXHHTOL-CYBMUJFWSA-N 1 0 383.290 2.089 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000416831076 648214132 /nfs/dbraw/zinc/21/41/32/648214132.db2.gz PAFLOGWCXHHTOL-ZDUSSCGKSA-N 1 0 383.290 2.089 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000416834279 648214163 /nfs/dbraw/zinc/21/41/63/648214163.db2.gz RZFFIMDZRAWWIG-NEPJUHHUSA-N 1 0 383.290 2.075 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000416837197 648214670 /nfs/dbraw/zinc/21/46/70/648214670.db2.gz WWVZEIXKRJFJEH-WCQYABFASA-N 1 0 383.290 2.075 20 0 GEADRO COC[C@]1(CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC000417109869 648225455 /nfs/dbraw/zinc/22/54/55/648225455.db2.gz XWDQKNRCAZFUSP-CXAGYDPISA-N 1 0 384.318 2.448 20 0 GEADRO C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000417190158 648230108 /nfs/dbraw/zinc/23/01/08/648230108.db2.gz ZQBPUOASKZSQNE-ZANVPECISA-N 1 0 384.274 2.318 20 0 GEADRO C[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@@H]1C[NH3+] ZINC000417212479 648232836 /nfs/dbraw/zinc/23/28/36/648232836.db2.gz FMLHHMFEWJRGFV-RYUDHWBXSA-N 1 0 380.290 2.223 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417215733 648233223 /nfs/dbraw/zinc/23/32/23/648233223.db2.gz XIFHDWRJUAKPTC-WFASDCNBSA-N 1 0 397.317 2.090 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417258343 648237034 /nfs/dbraw/zinc/23/70/34/648237034.db2.gz DYVXPVZQRYYZSW-CZUORRHYSA-N 1 0 381.318 2.408 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417294271 648237901 /nfs/dbraw/zinc/23/79/01/648237901.db2.gz BMANXUULEAKWHK-NWDGAFQWSA-N 1 0 384.274 2.289 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417297698 648238228 /nfs/dbraw/zinc/23/82/28/648238228.db2.gz JGRISNWIUSDOJG-GXFFZTMASA-N 1 0 384.274 2.018 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)C(F)F ZINC000417297041 648238259 /nfs/dbraw/zinc/23/82/59/648238259.db2.gz IBADMPGBJRGCBA-JTQLQIEISA-N 1 0 394.216 2.002 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417297700 648238280 /nfs/dbraw/zinc/23/82/80/648238280.db2.gz JGRISNWIUSDOJG-ZWNOBZJWSA-N 1 0 384.274 2.018 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417301318 648238589 /nfs/dbraw/zinc/23/85/89/648238589.db2.gz PKJIURXCGVJEAU-ZWNOBZJWSA-N 1 0 384.274 2.018 20 0 GEADRO C[C@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(Br)cc1 ZINC000417309337 648239221 /nfs/dbraw/zinc/23/92/21/648239221.db2.gz JIXONEUVBAEWNT-GXTWGEPZSA-N 1 0 397.317 2.007 20 0 GEADRO C[C@@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000417315974 648239291 /nfs/dbraw/zinc/23/92/91/648239291.db2.gz TXRGZDAPPAGLDO-CJNGLKHVSA-N 1 0 381.318 2.199 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccccc2Br)CC12CCOCC2 ZINC000417347445 648239977 /nfs/dbraw/zinc/23/99/77/648239977.db2.gz HJQYALGDEKFQSG-AWEZNQCLSA-N 1 0 382.302 2.346 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000417364563 648240470 /nfs/dbraw/zinc/24/04/70/648240470.db2.gz HLDCXZAEEYYAGW-GXTWGEPZSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000417367466 648240904 /nfs/dbraw/zinc/24/09/04/648240904.db2.gz MNNBMEPFRSFZMI-CYBMUJFWSA-N 1 0 385.306 2.369 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc(Br)c1OC ZINC000417377966 648241957 /nfs/dbraw/zinc/24/19/57/648241957.db2.gz QKEKPXATEJNDSE-CMPLNLGQSA-N 1 0 386.290 2.345 20 0 GEADRO COc1cc(CNC(=O)NC[C@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000417379517 648242413 /nfs/dbraw/zinc/24/24/13/648242413.db2.gz STUZLBOCTFNRHA-NSHDSACASA-N 1 0 386.290 2.265 20 0 GEADRO COc1cc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc(Br)c1OC ZINC000417383571 648243044 /nfs/dbraw/zinc/24/30/44/648243044.db2.gz ZFAFXBIUSMOVKG-NSHDSACASA-N 1 0 386.290 2.265 20 0 GEADRO C[C@@H]1CN(C(=O)NCCc2ccc(I)s2)CC[C@H]1[NH3+] ZINC000417434696 648244988 /nfs/dbraw/zinc/24/49/88/648244988.db2.gz AERURDGIUXDFIO-MWLCHTKSSA-N 1 0 393.294 2.274 20 0 GEADRO [NH3+]C1CCC(NC(=O)NCCc2ccc(I)s2)CC1 ZINC000417441703 648246391 /nfs/dbraw/zinc/24/63/91/648246391.db2.gz QRJWEGBQSGKVPV-UHFFFAOYSA-N 1 0 393.294 2.464 20 0 GEADRO O=C(NCCCNC(=O)c1cccc(Br)c1)NCCC[NH2+]C1CC1 ZINC000417439148 648246411 /nfs/dbraw/zinc/24/64/11/648246411.db2.gz VMSREHWLZWRGSL-UHFFFAOYSA-N 1 0 397.317 2.010 20 0 GEADRO COc1cc(Br)c(CNC(=O)NCC2=CC[NH2+]CC2)cc1OC ZINC000417448718 648246772 /nfs/dbraw/zinc/24/67/72/648246772.db2.gz WBODMMQGXYFBKZ-UHFFFAOYSA-N 1 0 384.274 2.185 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CCc2c1cccc2Br ZINC000417451915 648247275 /nfs/dbraw/zinc/24/72/75/648247275.db2.gz KSGOAPNLPJJVJV-INIZCTEOSA-N 1 0 381.318 2.031 20 0 GEADRO CC1(NC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000417483042 648249031 /nfs/dbraw/zinc/24/90/31/648249031.db2.gz JLAHOIZZKRFUJH-UHFFFAOYSA-N 1 0 397.317 2.010 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417493124 648250345 /nfs/dbraw/zinc/25/03/45/648250345.db2.gz VZVFTSNFKKJWNA-CYBMUJFWSA-N 1 0 399.333 2.386 20 0 GEADRO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000417506204 648250563 /nfs/dbraw/zinc/25/05/63/648250563.db2.gz OWERYQQKVXMHNI-NEPJUHHUSA-N 1 0 376.835 2.209 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Br)c(F)cc2OC)C1 ZINC000417554498 648252053 /nfs/dbraw/zinc/25/20/53/648252053.db2.gz JROXKDWRUYLULN-SNVBAGLBSA-N 1 0 390.253 2.439 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417595255 648254581 /nfs/dbraw/zinc/25/45/81/648254581.db2.gz NRBLSHODOIZIRM-NSHDSACASA-N 1 0 376.320 2.208 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417599085 648255174 /nfs/dbraw/zinc/25/51/74/648255174.db2.gz HFZAUVDOEYOSMF-ZIAGYGMSSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[NH2+]1 ZINC000417604196 648256026 /nfs/dbraw/zinc/25/60/26/648256026.db2.gz UAIFJGBGJJMISA-RDBSUJKOSA-N 1 0 381.318 2.468 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417605564 648256305 /nfs/dbraw/zinc/25/63/05/648256305.db2.gz YPJJLGBSNXEDGX-RBSFLKMASA-N 1 0 393.329 2.279 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417718881 648258618 /nfs/dbraw/zinc/25/86/18/648258618.db2.gz CHKHNDGSRFDUSF-MFKMUULPSA-N 1 0 393.289 2.161 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417736226 648260301 /nfs/dbraw/zinc/26/03/01/648260301.db2.gz TYFAIWLRXYKWAP-SNVBAGLBSA-N 1 0 381.278 2.161 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417738280 648261045 /nfs/dbraw/zinc/26/10/45/648261045.db2.gz OROAXNVDHOSRCQ-BXKDBHETSA-N 1 0 380.798 2.430 20 0 GEADRO CC[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)c1nc(C(F)(F)F)cs1 ZINC000417782386 648261970 /nfs/dbraw/zinc/26/19/70/648261970.db2.gz LOJHNTWIBACJTC-LLVKDONJSA-N 1 0 379.452 2.208 20 0 GEADRO C[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)Oc1ccccc1Br ZINC000417821252 648262397 /nfs/dbraw/zinc/26/23/97/648262397.db2.gz IIXGPTBJEIPNHF-ONGXEEELSA-N 1 0 380.233 2.498 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000417841712 648263120 /nfs/dbraw/zinc/26/31/20/648263120.db2.gz TUKPANBVIKSGMO-XVKPBYJWSA-N 1 0 376.770 2.033 20 0 GEADRO CC[NH2+]CCNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417870099 648263587 /nfs/dbraw/zinc/26/35/87/648263587.db2.gz IJLPVSKQVZQQKU-LLVKDONJSA-N 1 0 379.814 2.241 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000417887394 648264615 /nfs/dbraw/zinc/26/46/15/648264615.db2.gz KPUFDEXUELBXHR-UHFFFAOYSA-N 1 0 391.299 2.307 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H](C)C[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417883616 648264668 /nfs/dbraw/zinc/26/46/68/648264668.db2.gz FNHSMCWGGRABKU-VHSXEESVSA-N 1 0 382.262 2.454 20 0 GEADRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(F)cc1I)CC2 ZINC000417891291 648265119 /nfs/dbraw/zinc/26/51/19/648265119.db2.gz BRONRRFZKNLVRY-GFCCVEGCSA-N 1 0 386.212 2.435 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@@H](C)Cc2ccccc2Br)CCC[NH2+]1 ZINC000417897046 648265545 /nfs/dbraw/zinc/26/55/45/648265545.db2.gz RARRJMKLYRSGPS-GUYCJALGSA-N 1 0 384.318 2.448 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2cc(Cl)ccc2Br)CCCO1 ZINC000417911259 648266124 /nfs/dbraw/zinc/26/61/24/648266124.db2.gz LKULYGJIGHPRBV-CYBMUJFWSA-N 1 0 390.709 2.404 20 0 GEADRO C[NH2+]CCNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417942758 648266659 /nfs/dbraw/zinc/26/66/59/648266659.db2.gz ALYONDNNEWWMFW-UHFFFAOYSA-N 1 0 384.196 2.365 20 0 GEADRO CN(CC[NH3+])C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417962849 648267062 /nfs/dbraw/zinc/26/70/62/648267062.db2.gz ZZUYDFYZJKEIIN-UHFFFAOYSA-N 1 0 384.196 2.447 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417945779 648267235 /nfs/dbraw/zinc/26/72/35/648267235.db2.gz DNYLEWADZPRWSV-HZMBPMFUSA-N 1 0 376.810 2.354 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417947563 648267259 /nfs/dbraw/zinc/26/72/59/648267259.db2.gz SIZXPJUIKUNYIO-UHFFFAOYSA-N 1 0 397.253 2.345 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418000848 648268779 /nfs/dbraw/zinc/26/87/79/648268779.db2.gz KIKFOGQHKKJMKZ-ONERCXAPSA-N 1 0 385.295 2.396 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])C2=O)ccc1Br ZINC000418015524 648269948 /nfs/dbraw/zinc/26/99/48/648269948.db2.gz PWYLBKFMHZRPST-HUBLWGQQSA-N 1 0 397.317 2.288 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)NC[C@@H]([NH3+])C(C)C)C2=O)ccc1Br ZINC000418017824 648270493 /nfs/dbraw/zinc/27/04/93/648270493.db2.gz UEHDYJKOVBGWPK-HUUCEWRRSA-N 1 0 397.317 2.145 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)N(C)[C@H](C)C[NH3+])C2=O)ccc1Br ZINC000418018703 648270888 /nfs/dbraw/zinc/27/08/88/648270888.db2.gz VNHKJMCFVBWNMW-IUODEOHRSA-N 1 0 397.317 2.242 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](C[NH3+])C[C@@H]3C)nc12 ZINC000418025314 648271770 /nfs/dbraw/zinc/27/17/70/648271770.db2.gz UXZKJQYJPNMURC-STQMWFEESA-N 1 0 394.317 2.326 20 0 GEADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418025461 648271789 /nfs/dbraw/zinc/27/17/89/648271789.db2.gz FVZFUDKUOOPDEG-JKSUJKDBSA-N 1 0 384.318 2.448 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)nc12 ZINC000418026593 648272299 /nfs/dbraw/zinc/27/22/99/648272299.db2.gz WFSAQQJXOULTJU-WFASDCNBSA-N 1 0 394.317 2.326 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC(C[NH3+])CC3)nc12 ZINC000418037172 648272638 /nfs/dbraw/zinc/27/26/38/648272638.db2.gz ZHAFQHBXAURYRG-UHFFFAOYSA-N 1 0 380.290 2.286 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(F)cc2I)[C@H](C)C1 ZINC000418036908 648272793 /nfs/dbraw/zinc/27/27/93/648272793.db2.gz WXPASIOMPZTKAX-NEPJUHHUSA-N 1 0 392.256 2.317 20 0 GEADRO CCn1c(CNC(=O)NC2CC[NH2+]CC2)nc2cc(Br)ccc21 ZINC000418068943 648274406 /nfs/dbraw/zinc/27/44/06/648274406.db2.gz QWGSTYCXIBDNGQ-UHFFFAOYSA-N 1 0 380.290 2.370 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000418071455 648274974 /nfs/dbraw/zinc/27/49/74/648274974.db2.gz ITILZLHFSMMIRK-JOCQHMNTSA-N 1 0 387.933 2.308 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)[C@@H](C)C[NH2+]1 ZINC000418079625 648276082 /nfs/dbraw/zinc/27/60/82/648276082.db2.gz LGDABNDAOQMDNH-UHIISALHSA-N 1 0 385.295 2.491 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418084043 648276661 /nfs/dbraw/zinc/27/66/61/648276661.db2.gz UPFLGVZVFOQOGT-MISXGVKJSA-N 1 0 385.295 2.477 20 0 GEADRO CC1(C)CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]1 ZINC000418084542 648276902 /nfs/dbraw/zinc/27/69/02/648276902.db2.gz VOTXRSUMVWROFB-ZDUSSCGKSA-N 1 0 385.295 2.492 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418086747 648277419 /nfs/dbraw/zinc/27/74/19/648277419.db2.gz DRCQBHCNBPKSGO-HNNXBMFYSA-N 1 0 380.290 2.417 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418087390 648277484 /nfs/dbraw/zinc/27/74/84/648277484.db2.gz GYBCINJQBJJUOJ-CQSZACIVSA-N 1 0 397.317 2.371 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418088392 648277708 /nfs/dbraw/zinc/27/77/08/648277708.db2.gz KIOJBKXWZCGJPO-IUODEOHRSA-N 1 0 397.317 2.371 20 0 GEADRO O=C(NCc1ccc(Cl)cc1I)N[C@@H]1CCC[NH2+]C1 ZINC000418095341 648279075 /nfs/dbraw/zinc/27/90/75/648279075.db2.gz VRFCVYPVDLVUBC-LLVKDONJSA-N 1 0 393.656 2.496 20 0 GEADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N[C@@H]1CCC[NH2+]C1 ZINC000418095893 648279148 /nfs/dbraw/zinc/27/91/48/648279148.db2.gz WLJJLBRORCCGRB-CQSZACIVSA-N 1 0 378.274 2.186 20 0 GEADRO C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C[N@@H+]1CCO ZINC000418107000 648280601 /nfs/dbraw/zinc/28/06/01/648280601.db2.gz CYLXBKKHVZTXNQ-OLZOCXBDSA-N 1 0 385.302 2.107 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418107991 648281092 /nfs/dbraw/zinc/28/10/92/648281092.db2.gz QKGQMVITAYMUQQ-CABCVRRESA-N 1 0 398.349 2.457 20 0 GEADRO C[C@@H]1CN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)[C@@H](C)C[N@@H+]1CCO ZINC000418110553 648281365 /nfs/dbraw/zinc/28/13/65/648281365.db2.gz JOFKWDQPXJQVSG-OLZOCXBDSA-N 1 0 384.311 2.461 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)N(C)CC[NH3+] ZINC000418117941 648282035 /nfs/dbraw/zinc/28/20/35/648282035.db2.gz UYHGTWWYFLWXKA-NSHDSACASA-N 1 0 375.254 2.212 20 0 GEADRO CO[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000418128423 648283464 /nfs/dbraw/zinc/28/34/64/648283464.db2.gz QGMDSSADPKNLQG-YHUYYLMFSA-N 1 0 382.302 2.453 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(I)cc1Cl ZINC000418129743 648283628 /nfs/dbraw/zinc/28/36/28/648283628.db2.gz VEMWBXHGGPOJDB-HTQZYQBOSA-N 1 0 381.645 2.480 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1I ZINC000418135299 648284189 /nfs/dbraw/zinc/28/41/89/648284189.db2.gz AIGBSRMHLOXPKU-WCQYABFASA-N 1 0 387.265 2.478 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(I)c(C)c1 ZINC000418143065 648284506 /nfs/dbraw/zinc/28/45/06/648284506.db2.gz OOAOSQNEYUHDTG-ZDUSSCGKSA-N 1 0 387.265 2.493 20 0 GEADRO Cc1cc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)ccc1I ZINC000418144700 648285211 /nfs/dbraw/zinc/28/52/11/648285211.db2.gz UTUBYNQJMRONKA-LBPRGKRZSA-N 1 0 387.265 2.398 20 0 GEADRO CC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1cc(F)cc(Br)c1 ZINC000418152521 648285375 /nfs/dbraw/zinc/28/53/75/648285375.db2.gz UCNSOSQBMWGZBL-GJZGRUSLSA-N 1 0 387.297 2.242 20 0 GEADRO C[NH2+]CCCNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418163808 648285834 /nfs/dbraw/zinc/28/58/34/648285834.db2.gz REURNUWBFJFIMI-UHFFFAOYSA-N 1 0 381.645 2.353 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000418160858 648285962 /nfs/dbraw/zinc/28/59/62/648285962.db2.gz PGRAKHDHHQADBB-SECBINFHSA-N 1 0 379.629 2.187 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CCC[NH2+]1 ZINC000418166971 648286271 /nfs/dbraw/zinc/28/62/71/648286271.db2.gz UXXVBWBDNACJHX-YOEHRIQHSA-N 1 0 398.301 2.341 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418191139 648287206 /nfs/dbraw/zinc/28/72/06/648287206.db2.gz KFZNSADQMAGIBP-OAHLLOKOSA-N 1 0 384.322 2.209 20 0 GEADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NC[C@H]1C[NH2+]CCCO1 ZINC000418200002 648287614 /nfs/dbraw/zinc/28/76/14/648287614.db2.gz PBIORTJDLSOYJZ-CYBMUJFWSA-N 1 0 395.301 2.151 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000418227902 648288142 /nfs/dbraw/zinc/28/81/42/648288142.db2.gz DBPXZUHHYWATRL-ZIAGYGMSSA-N 1 0 387.933 2.273 20 0 GEADRO C[C@H]1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000418229532 648288390 /nfs/dbraw/zinc/28/83/90/648288390.db2.gz HHCCGIOWWHFMIL-ZFWWWQNUSA-N 1 0 387.933 2.273 20 0 GEADRO [NH3+]C1(CNC(=O)NCc2c(Br)cncc2Br)CCC1 ZINC000418237609 648289217 /nfs/dbraw/zinc/28/92/17/648289217.db2.gz OCYWJHKVWPIPRS-UHFFFAOYSA-N 1 0 392.095 2.287 20 0 GEADRO O=C(NC/C=C\c1ccc(Br)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418239560 648289803 /nfs/dbraw/zinc/28/98/03/648289803.db2.gz BGSRUHATGQFLHN-YYZONTRBSA-N 1 0 393.329 2.151 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1c(Br)cncc1Br ZINC000418241740 648289840 /nfs/dbraw/zinc/28/98/40/648289840.db2.gz UFLGGZXOBSQNET-NSHDSACASA-N 1 0 394.111 2.389 20 0 GEADRO C[NH2+]CCCNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418277725 648290767 /nfs/dbraw/zinc/29/07/67/648290767.db2.gz JGSRBVPLEKKIPP-UHFFFAOYSA-N 1 0 397.317 2.419 20 0 GEADRO CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)NCC[NH3+] ZINC000418291382 648291229 /nfs/dbraw/zinc/29/12/29/648291229.db2.gz BHXURDIBDYFEBJ-CYBMUJFWSA-N 1 0 386.290 2.107 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000418296192 648291579 /nfs/dbraw/zinc/29/15/79/648291579.db2.gz JJLMVHVIHUHGES-INIZCTEOSA-N 1 0 381.318 2.201 20 0 GEADRO [NH3+]CCNC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000418296120 648291604 /nfs/dbraw/zinc/29/16/04/648291604.db2.gz LCZQVEINILZCPP-CYBMUJFWSA-N 1 0 394.273 2.228 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000418296194 648291688 /nfs/dbraw/zinc/29/16/88/648291688.db2.gz JJLMVHVIHUHGES-MRXNPFEDSA-N 1 0 381.318 2.201 20 0 GEADRO CN(Cc1ccc(F)cc1Br)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418303343 648292242 /nfs/dbraw/zinc/29/22/42/648292242.db2.gz VIJDCBCWYRFXED-UHFFFAOYSA-N 1 0 387.297 2.025 20 0 GEADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418305249 648292288 /nfs/dbraw/zinc/29/22/88/648292288.db2.gz NUWVMYWIEWCEMP-UHFFFAOYSA-N 1 0 395.345 2.027 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@@H](CO)Cc1ccccc1Br ZINC000418338396 648293608 /nfs/dbraw/zinc/29/36/08/648293608.db2.gz CTFGKMPSUDOHHL-GJZGRUSLSA-N 1 0 398.345 2.289 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418343956 648293640 /nfs/dbraw/zinc/29/36/40/648293640.db2.gz RNWMPZKJBUQPAD-AWEZNQCLSA-N 1 0 381.318 2.280 20 0 GEADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)NCCC[NH3+] ZINC000418343343 648293760 /nfs/dbraw/zinc/29/37/60/648293760.db2.gz FPJQEVZWJITTKP-UHFFFAOYSA-N 1 0 388.306 2.089 20 0 GEADRO C[C@H](NC(=O)N(CCO)Cc1cc(Br)cs1)[C@H]1CCC[NH2+]C1 ZINC000418342392 648293787 /nfs/dbraw/zinc/29/37/87/648293787.db2.gz MXVVJKZDCLKWIX-RYUDHWBXSA-N 1 0 390.347 2.403 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418337340 648293809 /nfs/dbraw/zinc/29/38/09/648293809.db2.gz IZGZFLUFZWQGTL-GFCCVEGCSA-N 1 0 385.306 2.300 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418343957 648294059 /nfs/dbraw/zinc/29/40/59/648294059.db2.gz RNWMPZKJBUQPAD-CQSZACIVSA-N 1 0 381.318 2.280 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418345366 648294067 /nfs/dbraw/zinc/29/40/67/648294067.db2.gz PDIUINCYSJARGM-INIZCTEOSA-N 1 0 395.345 2.276 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418360108 648294391 /nfs/dbraw/zinc/29/43/91/648294391.db2.gz FOOCDNICKMLKPC-INIZCTEOSA-N 1 0 381.318 2.028 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418361766 648294967 /nfs/dbraw/zinc/29/49/67/648294967.db2.gz HCZWPCCKCRJNKV-LBPRGKRZSA-N 1 0 376.320 2.421 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)C1CC1 ZINC000418392756 648296095 /nfs/dbraw/zinc/29/60/95/648296095.db2.gz DKFAFUTWGZNVFO-MRXNPFEDSA-N 1 0 399.308 2.153 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000418394462 648296185 /nfs/dbraw/zinc/29/61/85/648296185.db2.gz SARDKEGSTCQHOX-GFCCVEGCSA-N 1 0 387.311 2.316 20 0 GEADRO COCCN(Cc1sccc1Br)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418395692 648296682 /nfs/dbraw/zinc/29/66/82/648296682.db2.gz HJIFGRSKOGRCNF-GFCCVEGCSA-N 1 0 376.320 2.406 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000418408021 648297039 /nfs/dbraw/zinc/29/70/39/648297039.db2.gz GIDHVURXEYRGEC-QRTARXTBSA-N 1 0 398.345 2.417 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418478502 648297265 /nfs/dbraw/zinc/29/72/65/648297265.db2.gz ZDLFBQOLWCZLIS-HOCLYGCPSA-N 1 0 386.334 2.417 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418486582 648297884 /nfs/dbraw/zinc/29/78/84/648297884.db2.gz ILMYHANJMWSZHR-BXUZGUMPSA-N 1 0 381.826 2.412 20 0 GEADRO [NH3+][C@@H](CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)C1CC1 ZINC000418496233 648298318 /nfs/dbraw/zinc/29/83/18/648298318.db2.gz HIEGPFFHLJWJQA-AWEZNQCLSA-N 1 0 396.289 2.188 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418491446 648298376 /nfs/dbraw/zinc/29/83/76/648298376.db2.gz OGLNACDNPGCBDQ-UONOGXRCSA-N 1 0 383.334 2.432 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCC1 ZINC000418505321 648298847 /nfs/dbraw/zinc/29/88/47/648298847.db2.gz CNRIGHKUYDMXAG-UHFFFAOYSA-N 1 0 385.295 2.342 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000418512613 648298973 /nfs/dbraw/zinc/29/89/73/648298973.db2.gz TYNTXFPEOYBDIM-HNNXBMFYSA-N 1 0 384.318 2.259 20 0 GEADRO CC1(CNC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000418517214 648299411 /nfs/dbraw/zinc/29/94/11/648299411.db2.gz KRRJKSXEGMUKMS-HNNXBMFYSA-N 1 0 398.345 2.289 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)C(=O)NCC[NH2+]CCOC ZINC000418513666 648299516 /nfs/dbraw/zinc/29/95/16/648299516.db2.gz VFBDMHHIJIFWPP-UHFFFAOYSA-N 1 0 376.270 2.356 20 0 GEADRO COCCN(Cc1sccc1Br)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418520855 648299727 /nfs/dbraw/zinc/29/97/27/648299727.db2.gz HYLVPURFQXUIMH-LLVKDONJSA-N 1 0 376.320 2.278 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC000418575241 648302201 /nfs/dbraw/zinc/30/22/01/648302201.db2.gz GVMFIBQIPKGZRO-IMJJTQAJSA-N 1 0 384.318 2.169 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418574717 648302431 /nfs/dbraw/zinc/30/24/31/648302431.db2.gz GLEMBLVYMNYDLQ-IJLUTSLNSA-N 1 0 376.284 2.302 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000418584971 648303064 /nfs/dbraw/zinc/30/30/64/648303064.db2.gz XYMDDPLWMWEMDD-UKPHBRMFSA-N 1 0 398.345 2.206 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000418588894 648303578 /nfs/dbraw/zinc/30/35/78/648303578.db2.gz AFDUORUYPNNLCC-DZGCQCFKSA-N 1 0 381.318 2.421 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000418600352 648304455 /nfs/dbraw/zinc/30/44/55/648304455.db2.gz JLXRAAGCMCISIM-ABAIWWIYSA-N 1 0 388.306 2.131 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418600623 648304525 /nfs/dbraw/zinc/30/45/25/648304525.db2.gz JZCOXZSXUGAPOM-OAHLLOKOSA-N 1 0 386.265 2.231 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@H]1c1cccs1 ZINC000418609351 648304876 /nfs/dbraw/zinc/30/48/76/648304876.db2.gz FKGJWTCNMSPYAT-JSGCOSHPSA-N 1 0 376.448 2.431 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1Cc2ccc(Cl)cc2C1 ZINC000418623100 648305694 /nfs/dbraw/zinc/30/56/94/648305694.db2.gz WVZPJUIXGXFFFI-AWEZNQCLSA-N 1 0 376.810 2.201 20 0 GEADRO COC[C@]1(CNC(=O)N(C)Cc2ccc(F)cc2Br)CCC[NH2+]1 ZINC000418652909 648306491 /nfs/dbraw/zinc/30/64/91/648306491.db2.gz JRIRXWHMEOAVKW-MRXNPFEDSA-N 1 0 388.281 2.498 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000418675479 648306936 /nfs/dbraw/zinc/30/69/36/648306936.db2.gz RAJKHFSIWLZJTI-DOMZBBRYSA-N 1 0 397.317 2.149 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418715096 648308112 /nfs/dbraw/zinc/30/81/12/648308112.db2.gz YGUWHLGNBRDGLX-UKRRQHHQSA-N 1 0 386.334 2.417 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000418723392 648308408 /nfs/dbraw/zinc/30/84/08/648308408.db2.gz NWNYZPAXDPDIKC-YPMHNXCESA-N 1 0 383.290 2.204 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000418739044 648308768 /nfs/dbraw/zinc/30/87/68/648308768.db2.gz XZMCEFSDCVYACL-LLVKDONJSA-N 1 0 379.814 2.323 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000418730572 648308805 /nfs/dbraw/zinc/30/88/05/648308805.db2.gz SMYVUHGNEYPESG-ZMSDIMECSA-N 1 0 398.345 2.417 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418754295 648309746 /nfs/dbraw/zinc/30/97/46/648309746.db2.gz DSERHTXMIWRGTQ-CYBMUJFWSA-N 1 0 389.725 2.148 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000418760980 648309992 /nfs/dbraw/zinc/30/99/92/648309992.db2.gz JULOUXLAESKMFT-WPGHFRTFSA-N 1 0 377.897 2.413 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000418764124 648310513 /nfs/dbraw/zinc/31/05/13/648310513.db2.gz NVPQABYXPJLKQQ-AWEZNQCLSA-N 1 0 376.810 2.308 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418762972 648310548 /nfs/dbraw/zinc/31/05/48/648310548.db2.gz MLDQBRGYDBCOMB-WBMJQRKESA-N 1 0 377.897 2.427 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418768608 648310923 /nfs/dbraw/zinc/31/09/23/648310923.db2.gz PECPRNXQURVQNT-ZIAGYGMSSA-N 1 0 382.302 2.284 20 0 GEADRO O=C(NCCc1ccc(Cl)s1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000418769650 648311287 /nfs/dbraw/zinc/31/12/87/648311287.db2.gz VPNFWDADOIIFSI-HIFRSBDPSA-N 1 0 383.945 2.441 20 0 GEADRO CN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000418768918 648311417 /nfs/dbraw/zinc/31/14/17/648311417.db2.gz NAPXCBJISIJRHH-UKRRQHHQSA-N 1 0 385.917 2.342 20 0 GEADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418787970 648312679 /nfs/dbraw/zinc/31/26/79/648312679.db2.gz JMFUNZRVVTWXSL-OCVGTWLNSA-N 1 0 382.302 2.170 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000418814988 648314029 /nfs/dbraw/zinc/31/40/29/648314029.db2.gz HTCXRDABRKMYID-DETPVDSQSA-N 1 0 384.307 2.424 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000418823390 648314731 /nfs/dbraw/zinc/31/47/31/648314731.db2.gz YAFLAHFHRVTOIC-YPHNTLSLSA-N 1 0 384.307 2.409 20 0 GEADRO CN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000418836538 648315770 /nfs/dbraw/zinc/31/57/70/648315770.db2.gz RKUQTZBPJQXPLK-HRCADAONSA-N 1 0 394.313 2.022 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000418839934 648316262 /nfs/dbraw/zinc/31/62/62/648316262.db2.gz DIIFGXAEAHQFNM-BBRMVZONSA-N 1 0 398.345 2.328 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418843735 648316727 /nfs/dbraw/zinc/31/67/27/648316727.db2.gz KMROVVBWUPJRKI-KGLIPLIRSA-N 1 0 396.329 2.084 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418850239 648317363 /nfs/dbraw/zinc/31/73/63/648317363.db2.gz CDGASWTUYMKTJZ-HNNXBMFYSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418860179 648319096 /nfs/dbraw/zinc/31/90/96/648319096.db2.gz LLZHZPOVIONMAS-VHSXEESVSA-N 1 0 376.259 2.426 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418860178 648319175 /nfs/dbraw/zinc/31/91/75/648319175.db2.gz LLZHZPOVIONMAS-UWVGGRQHSA-N 1 0 376.259 2.426 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418937762 648322582 /nfs/dbraw/zinc/32/25/82/648322582.db2.gz GCJMDOIISXXBER-RCBQFDQVSA-N 1 0 394.313 2.186 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418944009 648323207 /nfs/dbraw/zinc/32/32/07/648323207.db2.gz ZPMNFDSINVNLBN-UHFFFAOYSA-N 1 0 396.329 2.055 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418947612 648324108 /nfs/dbraw/zinc/32/41/08/648324108.db2.gz SPHBBKCHRAJURF-RBOXIYTFSA-N 1 0 394.313 2.138 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21)C1CCCC1 ZINC000418949064 648324544 /nfs/dbraw/zinc/32/45/44/648324544.db2.gz USNVAXBOYLDDQV-HOTGVXAUSA-N 1 0 394.313 2.186 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)CC1 ZINC000418962159 648325710 /nfs/dbraw/zinc/32/57/10/648325710.db2.gz GQNWMXJQQXXAMR-UHFFFAOYSA-N 1 0 383.279 2.083 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(Br)c(C)c2)CC1 ZINC000419000313 648327314 /nfs/dbraw/zinc/32/73/14/648327314.db2.gz XZAVGRVQELBJEQ-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419016568 648327643 /nfs/dbraw/zinc/32/76/43/648327643.db2.gz DXDZKFYLJGJJHI-WOSRLPQWSA-N 1 0 396.329 2.143 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419024101 648328383 /nfs/dbraw/zinc/32/83/83/648328383.db2.gz QBRXDARSVGBBAA-BBRMVZONSA-N 1 0 396.329 2.145 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000419046422 648330005 /nfs/dbraw/zinc/33/00/05/648330005.db2.gz YBILTELAROMCSR-TZMCWYRMSA-N 1 0 386.323 2.486 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000419049170 648330423 /nfs/dbraw/zinc/33/04/23/648330423.db2.gz BFXIBLIHQFBPPS-ZFWWWQNUSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419053758 648330630 /nfs/dbraw/zinc/33/06/30/648330630.db2.gz KQQISBKHOUKWIW-GZBFAFLISA-N 1 0 396.329 2.082 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](CC)Cc1ccccc1Br ZINC000419054401 648330802 /nfs/dbraw/zinc/33/08/02/648330802.db2.gz LXRMANUGDRLSDB-TZMCWYRMSA-N 1 0 384.318 2.001 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccccc2Br)C1 ZINC000419056307 648331106 /nfs/dbraw/zinc/33/11/06/648331106.db2.gz QKBARKHLGYTAPI-UMVBOHGHSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000419054929 648331164 /nfs/dbraw/zinc/33/11/64/648331164.db2.gz NBLWOLHCQHVRRY-UKRRQHHQSA-N 1 0 396.329 2.097 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419064057 648332224 /nfs/dbraw/zinc/33/22/24/648332224.db2.gz HIJAFBYZNXQGGY-UHFFFAOYSA-N 1 0 390.709 2.352 20 0 GEADRO O=C(NCC1C[NH2+]C1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000419160571 648338310 /nfs/dbraw/zinc/33/83/10/648338310.db2.gz ZLEDQIACRHFBQO-UHFFFAOYSA-N 1 0 384.307 2.257 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000419159504 648338506 /nfs/dbraw/zinc/33/85/06/648338506.db2.gz ZJXBFBMIMHCJAK-QWHCGFSZSA-N 1 0 382.302 2.214 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1Br ZINC000419171407 648339264 /nfs/dbraw/zinc/33/92/64/648339264.db2.gz XRWFBYQZVULBKI-TZMCWYRMSA-N 1 0 382.302 2.007 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419188504 648340609 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GEADRO C[C@H](NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000419324387 648346830 /nfs/dbraw/zinc/34/68/30/648346830.db2.gz JZNXCIYKHYMJPI-KFWWJZLASA-N 1 0 398.345 2.013 20 0 GEADRO C[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000419328329 648347613 /nfs/dbraw/zinc/34/76/13/648347613.db2.gz ONWNJLYHNBCSNZ-RDBSUJKOSA-N 1 0 377.312 2.120 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000419364694 648350444 /nfs/dbraw/zinc/35/04/44/648350444.db2.gz PYVYQMIRYQTUQC-CYBMUJFWSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419371628 648351102 /nfs/dbraw/zinc/35/11/02/648351102.db2.gz JBYGPYMMSUEINK-ZDUSSCGKSA-N 1 0 396.329 2.088 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(Br)s1 ZINC000419424153 648351471 /nfs/dbraw/zinc/35/14/71/648351471.db2.gz CJJDJDNJDDEMLZ-WDEREUQCSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCc1ccc(Br)s1 ZINC000419418855 648351798 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C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419582326 648356670 /nfs/dbraw/zinc/35/66/70/648356670.db2.gz FLPCIJIJSDFKDU-KNXALSJPSA-N 1 0 394.313 2.281 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419581468 648356715 /nfs/dbraw/zinc/35/67/15/648356715.db2.gz DDTFVEGGBXPKCE-CQSZACIVSA-N 1 0 382.302 2.186 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000419587748 648356983 /nfs/dbraw/zinc/35/69/83/648356983.db2.gz NROXSTCXULWJLV-MLGOLLRUSA-N 1 0 394.313 2.011 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419593959 648357340 /nfs/dbraw/zinc/35/73/40/648357340.db2.gz YPWRFGJNCGEBFY-OZVIIMIRSA-N 1 0 394.313 2.138 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419594292 648357786 /nfs/dbraw/zinc/35/77/86/648357786.db2.gz YYWPGDHHQPTNRE-JKSUJKDBSA-N 1 0 396.329 2.384 20 0 GEADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419643785 648359337 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C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000419704261 648367397 /nfs/dbraw/zinc/36/73/97/648367397.db2.gz HCQQLRKANQDERV-DCAQKATOSA-N 1 0 388.331 2.274 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccc(Br)s1 ZINC000419704300 648367729 /nfs/dbraw/zinc/36/77/29/648367729.db2.gz HHAJEYFXOLCZJB-SNVBAGLBSA-N 1 0 388.331 2.466 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419705342 648367751 /nfs/dbraw/zinc/36/77/51/648367751.db2.gz IPSXWLMDELWFAJ-VHSXEESVSA-N 1 0 376.320 2.322 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419706410 648368315 /nfs/dbraw/zinc/36/83/15/648368315.db2.gz JQTYJPQQEWARLZ-GMTAPVOTSA-N 1 0 388.331 2.192 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)s2)C1 ZINC000419708199 648368776 /nfs/dbraw/zinc/36/87/76/648368776.db2.gz LSHZXPBTKXCWHI-DCAQKATOSA-N 1 0 388.331 2.274 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000419714515 648369990 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[NH3+]C[C@H](NC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000419769503 648376681 /nfs/dbraw/zinc/37/66/81/648376681.db2.gz CRFPXUPMILOQGQ-LSDHHAIUSA-N 1 0 398.276 2.009 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419771785 648377424 /nfs/dbraw/zinc/37/74/24/648377424.db2.gz FUQIIJPTRCNHRP-CABCVRRESA-N 1 0 398.276 2.024 20 0 GEADRO CC[C@H](NC(=O)C(=O)N(C)CCC[NH2+]C)c1cc(F)cc(Br)c1 ZINC000419782885 648378607 /nfs/dbraw/zinc/37/86/07/648378607.db2.gz RQNYPXGCXRUTQO-AWEZNQCLSA-N 1 0 388.281 2.223 20 0 GEADRO COCC1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000419812621 648381520 /nfs/dbraw/zinc/38/15/20/648381520.db2.gz GTGXNNOQPICBNM-UHFFFAOYSA-N 1 0 391.331 2.391 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000419819884 648381890 /nfs/dbraw/zinc/38/18/90/648381890.db2.gz NPEOVTWSKKRGAO-GFCCVEGCSA-N 1 0 377.794 2.270 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1Cl ZINC000419827070 648382705 /nfs/dbraw/zinc/38/27/05/648382705.db2.gz AUKBQTKMNIAWQA-AWEZNQCLSA-N 1 0 383.876 2.495 20 0 GEADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000419828500 648383196 /nfs/dbraw/zinc/38/31/96/648383196.db2.gz RXXACGUFVHMFCZ-UONOGXRCSA-N 1 0 376.291 2.468 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000419829920 648383238 /nfs/dbraw/zinc/38/32/38/648383238.db2.gz VUDKNOZIHHZTQC-UHFFFAOYSA-N 1 0 396.329 2.040 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)NCCCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000419832356 648383736 /nfs/dbraw/zinc/38/37/36/648383736.db2.gz NTBLOCSGTHTLGV-LLVKDONJSA-N 1 0 376.284 2.074 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419848173 648384873 /nfs/dbraw/zinc/38/48/73/648384873.db2.gz TXLDWAWKXQRZNW-CYBMUJFWSA-N 1 0 388.295 2.089 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419852780 648385398 /nfs/dbraw/zinc/38/53/98/648385398.db2.gz MDJLLCWIEDNHSH-UHFFFAOYSA-N 1 0 396.329 2.446 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000419860584 648385933 /nfs/dbraw/zinc/38/59/33/648385933.db2.gz OOFXSBHOHDUARG-AWEZNQCLSA-N 1 0 377.535 2.454 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000419862920 648385949 /nfs/dbraw/zinc/38/59/49/648385949.db2.gz CAMVIFVWODUGTR-UHFFFAOYSA-N 1 0 396.329 2.446 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@H]([NH3+])C2CC2)ccc1Br ZINC000419869035 648386450 /nfs/dbraw/zinc/38/64/50/648386450.db2.gz RFWIRWSBEQVYNN-JKSUJKDBSA-N 1 0 394.313 2.275 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419895756 648386859 /nfs/dbraw/zinc/38/68/59/648386859.db2.gz SZQHDMRBBYLVIW-IUODEOHRSA-N 1 0 398.276 2.120 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419900172 648387335 /nfs/dbraw/zinc/38/73/35/648387335.db2.gz SGLZNGKRHURPET-VXGBXAGGSA-N 1 0 384.307 2.382 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000419898803 648387354 /nfs/dbraw/zinc/38/73/54/648387354.db2.gz XLRHGDWUOIPRAI-CQSZACIVSA-N 1 0 382.291 2.477 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419899865 648387377 /nfs/dbraw/zinc/38/73/77/648387377.db2.gz ZOJDVZHDQCGTIC-CQSZACIVSA-N 1 0 382.302 2.056 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000419926277 648388977 /nfs/dbraw/zinc/38/89/77/648388977.db2.gz AXFSTDXIKSNDBS-CQSZACIVSA-N 1 0 398.345 2.405 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419931884 648389509 /nfs/dbraw/zinc/38/95/09/648389509.db2.gz DGYRHYBNHYPYRQ-CHWSQXEVSA-N 1 0 394.313 2.153 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000419956465 648391081 /nfs/dbraw/zinc/39/10/81/648391081.db2.gz OHBYIAMDRSVWIG-GFCCVEGCSA-N 1 0 386.323 2.486 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)NC[C@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000419962604 648391516 /nfs/dbraw/zinc/39/15/16/648391516.db2.gz VJFKUZNDCMUFTI-VXGBXAGGSA-N 1 0 390.311 2.320 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@H](C)C[NH3+])ccc1Br ZINC000419963348 648391577 /nfs/dbraw/zinc/39/15/77/648391577.db2.gz VZAJIAXVMLFTLT-ABAIWWIYSA-N 1 0 382.302 2.132 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)NC[C@@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000419962601 648391617 /nfs/dbraw/zinc/39/16/17/648391617.db2.gz VJFKUZNDCMUFTI-NWDGAFQWSA-N 1 0 390.311 2.320 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000419981245 648392406 /nfs/dbraw/zinc/39/24/06/648392406.db2.gz TVUBJMAWHAWYNL-GFCCVEGCSA-N 1 0 388.281 2.036 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419983674 648392857 /nfs/dbraw/zinc/39/28/57/648392857.db2.gz CNUQDDNXXCCUES-CYBMUJFWSA-N 1 0 384.318 2.287 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419987909 648393389 /nfs/dbraw/zinc/39/33/89/648393389.db2.gz HFJMGEFCMDUYEC-LBPRGKRZSA-N 1 0 382.302 2.041 20 0 GEADRO Cc1csc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1I ZINC000420003782 648394950 /nfs/dbraw/zinc/39/49/50/648394950.db2.gz VQJQTVBSBRPFDL-ZDUSSCGKSA-N 1 0 396.294 2.094 20 0 GEADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000420035360 648397406 /nfs/dbraw/zinc/39/74/06/648397406.db2.gz KDJKJONGDOTYEU-ZWNOBZJWSA-N 1 0 388.295 2.181 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000420031387 648397446 /nfs/dbraw/zinc/39/74/46/648397446.db2.gz FKNXKSOXCUBROM-HSMVNMDESA-N 1 0 394.313 2.138 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420055227 648398282 /nfs/dbraw/zinc/39/82/82/648398282.db2.gz HWMLIZAJPOOBOJ-IUODEOHRSA-N 1 0 382.302 2.041 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000420065374 648399065 /nfs/dbraw/zinc/39/90/65/648399065.db2.gz PPERSRPYNXSEDH-BMIGLBTASA-N 1 0 388.295 2.073 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420067984 648399090 /nfs/dbraw/zinc/39/90/90/648399090.db2.gz SNHWJQALDJTPIH-MFKMUULPSA-N 1 0 388.331 2.103 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420068793 648399139 /nfs/dbraw/zinc/39/91/39/648399139.db2.gz ADLVEXKRCDNJKV-ZDUSSCGKSA-N 1 0 396.329 2.474 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC000420065400 648399359 /nfs/dbraw/zinc/39/93/59/648399359.db2.gz PUHMBQLKQOSFHX-CABCVRRESA-N 1 0 398.276 2.105 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000420074990 648399615 /nfs/dbraw/zinc/39/96/15/648399615.db2.gz IYNCEKDFHJRIFK-UHFFFAOYSA-N 1 0 382.302 2.009 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420070774 648399642 /nfs/dbraw/zinc/39/96/42/648399642.db2.gz VSSMTWOUCWZWQN-GOEBONIOSA-N 1 0 396.329 2.431 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420075434 648399997 /nfs/dbraw/zinc/39/99/97/648399997.db2.gz SJQKZZPRDDVHRY-MRXNPFEDSA-N 1 0 396.329 2.084 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000420080761 648400085 /nfs/dbraw/zinc/40/00/85/648400085.db2.gz LNVXBJDADKRCOY-AWEZNQCLSA-N 1 0 397.317 2.141 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CCC1 ZINC000420086911 648400478 /nfs/dbraw/zinc/40/04/78/648400478.db2.gz DXZTXEKNZKKNFX-AWEZNQCLSA-N 1 0 380.286 2.110 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CCC1 ZINC000420092032 648401111 /nfs/dbraw/zinc/40/11/11/648401111.db2.gz NSVBCUCTCBBIPX-CQSZACIVSA-N 1 0 398.276 2.249 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000420111408 648402388 /nfs/dbraw/zinc/40/23/88/648402388.db2.gz CQPFBGVUHMHJBB-DAXOMENPSA-N 1 0 394.313 2.369 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000420122781 648403246 /nfs/dbraw/zinc/40/32/46/648403246.db2.gz MZGCKLHHCAZMSO-CYBMUJFWSA-N 1 0 388.281 2.180 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000420123896 648403785 /nfs/dbraw/zinc/40/37/85/648403785.db2.gz OCGMWZZHZAFJMZ-CYBMUJFWSA-N 1 0 388.281 2.180 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000420131369 648404294 /nfs/dbraw/zinc/40/42/94/648404294.db2.gz RXCKCPOJSXDFGW-UHOFOFEASA-N 1 0 394.313 2.227 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420169903 648407013 /nfs/dbraw/zinc/40/70/13/648407013.db2.gz WSKIGEBIQIFEPK-ZDUSSCGKSA-N 1 0 394.313 2.395 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420189753 648408751 /nfs/dbraw/zinc/40/87/51/648408751.db2.gz OLWUFPDBYSDVTO-JHJVBQTASA-N 1 0 382.302 2.212 20 0 GEADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420189258 648408827 /nfs/dbraw/zinc/40/88/27/648408827.db2.gz NXAITCJAULBJMN-YPMHNXCESA-N 1 0 388.295 2.008 20 0 GEADRO O=c1c(Cl)c(Cl)cnn1-c1ccc(NC[C@@H]2C[NH2+]C[C@H]2O)c(Cl)c1 ZINC000420257409 648411921 /nfs/dbraw/zinc/41/19/21/648411921.db2.gz WIKAWOBBEBFPOM-ISVAXAHUSA-N 1 0 389.670 2.185 20 0 GEADRO Ic1cccc2ncnc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c12 ZINC000420267901 648412348 /nfs/dbraw/zinc/41/23/48/648412348.db2.gz XBTYZBCKRIBWAK-MNOVXSKESA-N 1 0 380.233 2.280 20 0 GEADRO [NH3+]C[C@@H](NCc1nnnn1-c1ccccc1Br)C1CCCCC1 ZINC000420376668 648414533 /nfs/dbraw/zinc/41/45/33/648414533.db2.gz VJXBKXIHEMQNBN-CQSZACIVSA-N 1 0 379.306 2.422 20 0 GEADRO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(I)cc1 ZINC000420381058 648415330 /nfs/dbraw/zinc/41/53/30/648415330.db2.gz RRPHJXRDCRRVBL-INIZCTEOSA-N 1 0 399.276 2.305 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420406241 648415909 /nfs/dbraw/zinc/41/59/09/648415909.db2.gz QWOQJTDFCXEFHQ-MLGOLLRUSA-N 1 0 399.276 2.446 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000420446987 648417076 /nfs/dbraw/zinc/41/70/76/648417076.db2.gz IOKDJXASVZJURU-HNNXBMFYSA-N 1 0 386.905 2.186 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420450458 648417704 /nfs/dbraw/zinc/41/77/04/648417704.db2.gz HGSJFSLCDUBVOV-JSGCOSHPSA-N 1 0 376.906 2.161 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000420449776 648417707 /nfs/dbraw/zinc/41/77/07/648417707.db2.gz OAPPNHNZWCISQH-CYBMUJFWSA-N 1 0 379.320 2.418 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)ccc1Br ZINC000420465922 648418658 /nfs/dbraw/zinc/41/86/58/648418658.db2.gz QXKSKVDTRUSYQJ-CYBMUJFWSA-N 1 0 377.304 2.124 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000420468332 648419274 /nfs/dbraw/zinc/41/92/74/648419274.db2.gz UFRIIQOFSSQVIC-VIFPVBQESA-N 1 0 387.246 2.027 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000420469907 648419286 /nfs/dbraw/zinc/41/92/86/648419286.db2.gz WDGVZYPPPWGXMO-VIFPVBQESA-N 1 0 375.210 2.157 20 0 GEADRO C[C@H]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@@H]1C[NH3+] ZINC000420471446 648419834 /nfs/dbraw/zinc/41/98/34/648419834.db2.gz APOOQIIOVHHDGF-RYUDHWBXSA-N 1 0 390.347 2.121 20 0 GEADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CCCO[C@H](C[NH3+])C3)cc2s1 ZINC000420473906 648420192 /nfs/dbraw/zinc/42/01/92/648420192.db2.gz XBBJSRHHSKBBRG-GFCCVEGCSA-N 1 0 383.539 2.332 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCCO1 ZINC000420474201 648420301 /nfs/dbraw/zinc/42/03/01/648420301.db2.gz XEAHTSCCZBYHHT-CYBMUJFWSA-N 1 0 387.914 2.202 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1I ZINC000420479009 648421404 /nfs/dbraw/zinc/42/14/04/648421404.db2.gz YRXBLWCWQXAIDZ-GWCFXTLKSA-N 1 0 394.278 2.018 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420739269 648446234 /nfs/dbraw/zinc/44/62/34/648446234.db2.gz YHDWYABDMFPWHX-UHFFFAOYSA-N 1 0 399.891 2.103 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420743935 648448033 /nfs/dbraw/zinc/44/80/33/648448033.db2.gz XBEWXJPPQMWDQD-JTQLQIEISA-N 1 0 395.294 2.312 20 0 GEADRO Cn1c(=O)cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)n(C)c1=O ZINC000420971816 648460568 /nfs/dbraw/zinc/46/05/68/648460568.db2.gz KYBILPQNONXAOY-CQSZACIVSA-N 1 0 392.297 2.054 20 0 GEADRO COC1([C@H](C)[NH2+]C[C@H](O)COc2cccc(Br)c2)CCOCC1 ZINC000421042242 648463136 /nfs/dbraw/zinc/46/31/36/648463136.db2.gz YYTFDKFTRAEXQC-ZFWWWQNUSA-N 1 0 388.302 2.363 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421208631 648471120 /nfs/dbraw/zinc/47/11/20/648471120.db2.gz DYFWEAADJDAMKJ-LBPRGKRZSA-N 1 0 382.302 2.185 20 0 GEADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421243373 648477728 /nfs/dbraw/zinc/47/77/28/648477728.db2.gz VCBAFJAWNUNOOA-GFCCVEGCSA-N 1 0 382.302 2.183 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421289139 648483695 /nfs/dbraw/zinc/48/36/95/648483695.db2.gz OKHNZNIKGPFNNZ-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421292424 648484713 /nfs/dbraw/zinc/48/47/13/648484713.db2.gz AVTHBJMPIQHIOM-LBPRGKRZSA-N 1 0 398.301 2.087 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000421389531 648489954 /nfs/dbraw/zinc/48/99/54/648489954.db2.gz RKOGEANAQOIAIY-MRXNPFEDSA-N 1 0 396.329 2.049 20 0 GEADRO CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@H](O)CO ZINC000421400940 648490550 /nfs/dbraw/zinc/49/05/50/648490550.db2.gz CDLLIVUVOWAIND-NSHDSACASA-N 1 0 396.123 2.357 20 0 GEADRO COC1([C@@H](C)[NH2+]Cc2ncc(I)s2)CCOCC1 ZINC000421406900 648490689 /nfs/dbraw/zinc/49/06/89/648490689.db2.gz VBMUIKUAKXFMJQ-SECBINFHSA-N 1 0 382.267 2.421 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000421699439 648505130 /nfs/dbraw/zinc/50/51/30/648505130.db2.gz BBEVTVKTICWENM-KBPBESRZSA-N 1 0 394.313 2.355 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1Cc1ccccc1Br ZINC000421914844 648511633 /nfs/dbraw/zinc/51/16/33/648511633.db2.gz HMVOTLJZOHBKRD-FUHWJXTLSA-N 1 0 392.341 2.373 20 0 GEADRO Cc1nc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)sc1C ZINC000422348513 648539149 /nfs/dbraw/zinc/53/91/49/648539149.db2.gz FMNDDEHDKSASRN-UHFFFAOYSA-N 1 0 380.539 2.028 20 0 GEADRO CCSCCCNC(=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000422404806 648543502 /nfs/dbraw/zinc/54/35/02/648543502.db2.gz XSFCWWOWSPLPJS-UHFFFAOYSA-N 1 0 383.480 2.121 20 0 GEADRO Cc1cnc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000422403686 648543611 /nfs/dbraw/zinc/54/36/11/648543611.db2.gz VKQNBVBAQDOVPQ-CYBMUJFWSA-N 1 0 380.539 2.281 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422551636 648558312 /nfs/dbraw/zinc/55/83/12/648558312.db2.gz FNILMSRHGDDCBS-GYSYKLTISA-N 1 0 388.917 2.429 20 0 GEADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1C[NH3+] ZINC000422558363 648559222 /nfs/dbraw/zinc/55/92/22/648559222.db2.gz ZBKMQGHTJKZGDD-FRRDWIJNSA-N 1 0 377.913 2.461 20 0 GEADRO O=C(CN1CCC2(CC[NH2+]2)CC1)Nc1ccccc1I ZINC000422624946 648563681 /nfs/dbraw/zinc/56/36/81/648563681.db2.gz ADTISVMWSFZFKL-UHFFFAOYSA-N 1 0 385.249 2.058 20 0 GEADRO O=C(CN1CCC2(CC[NH2+]2)CC1)Nc1cccc(I)c1 ZINC000422631994 648564111 /nfs/dbraw/zinc/56/41/11/648564111.db2.gz GDRWHPMRZVBMMW-UHFFFAOYSA-N 1 0 385.249 2.058 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422639656 648564136 /nfs/dbraw/zinc/56/41/36/648564136.db2.gz UBXPEVWSMNWPIS-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422768573 648575063 /nfs/dbraw/zinc/57/50/63/648575063.db2.gz UTHBUMGYYQYPAY-KSSFIOAISA-N 1 0 381.929 2.166 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000422933510 648577806 /nfs/dbraw/zinc/57/78/06/648577806.db2.gz HXBXCDSHBDALOW-KCJUWKMLSA-N 1 0 375.782 2.406 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000422961672 648578962 /nfs/dbraw/zinc/57/89/62/648578962.db2.gz ZOLLDWDXGFEKCP-HNNXBMFYSA-N 1 0 387.571 2.173 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccc(Br)s1 ZINC000422965659 648579319 /nfs/dbraw/zinc/57/93/19/648579319.db2.gz PEPPWFYZCLBMBP-JTQLQIEISA-N 1 0 386.315 2.042 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422967155 648579349 /nfs/dbraw/zinc/57/93/49/648579349.db2.gz BIJWMCNVECSUOH-INIZCTEOSA-N 1 0 396.329 2.098 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423107474 648580307 /nfs/dbraw/zinc/58/03/07/648580307.db2.gz RZNNEEOKQABPJY-UHFFFAOYSA-N 1 0 382.302 2.136 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000422994293 648580477 /nfs/dbraw/zinc/58/04/77/648580477.db2.gz HKGBCHDRTLCCIU-OAHLLOKOSA-N 1 0 384.318 2.239 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423121780 648582811 /nfs/dbraw/zinc/58/28/11/648582811.db2.gz IWWGEBPHVCDIMC-KGLIPLIRSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000423129921 648583361 /nfs/dbraw/zinc/58/33/61/648583361.db2.gz RIQAUTZQDIZDAW-DOMZBBRYSA-N 1 0 382.302 2.073 20 0 GEADRO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1nn(C)cc1I ZINC000423164910 648585429 /nfs/dbraw/zinc/58/54/29/648585429.db2.gz TYZUWHWNZFEFHT-NWDGAFQWSA-N 1 0 376.286 2.425 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1Br ZINC000423164492 648585527 /nfs/dbraw/zinc/58/55/27/648585527.db2.gz SRIMGOBEUCOHFC-IPELMVKDSA-N 1 0 397.357 2.265 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000423170167 648586076 /nfs/dbraw/zinc/58/60/76/648586076.db2.gz LEDYUWDPMCIZOL-CJNGLKHVSA-N 1 0 394.313 2.181 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)C[C@@]1(C)C[NH3+] ZINC000423231877 648587623 /nfs/dbraw/zinc/58/76/23/648587623.db2.gz HGQJUTHFVBHIHV-ADLMAVQZSA-N 1 0 384.307 2.321 20 0 GEADRO CCn1ccnc1[C@@H](NCC[NH2+]C)c1ccc(I)cc1 ZINC000423225260 648587799 /nfs/dbraw/zinc/58/77/99/648587799.db2.gz LXXOVFUJHFQMAA-AWEZNQCLSA-N 1 0 384.265 2.406 20 0 GEADRO C[C@@H](N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@H]1CCC[NH2+]C1 ZINC000423221878 648587848 /nfs/dbraw/zinc/58/78/48/648587848.db2.gz YNLMIBHGQSTIOQ-LOWVWBTDSA-N 1 0 390.347 2.135 20 0 GEADRO C[C@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423240617 648588263 /nfs/dbraw/zinc/58/82/63/648588263.db2.gz KTAVAUOGICLTQG-XHDPSFHLSA-N 1 0 398.326 2.447 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000423248944 648588449 /nfs/dbraw/zinc/58/84/49/648588449.db2.gz SFABXGUVCMSMBS-ZFWWWQNUSA-N 1 0 396.329 2.036 20 0 GEADRO CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423258253 648588940 /nfs/dbraw/zinc/58/89/40/648588940.db2.gz BECSNAWFWNYQTE-PWSUYJOCSA-N 1 0 378.336 2.121 20 0 GEADRO CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423300471 648589403 /nfs/dbraw/zinc/58/94/03/648589403.db2.gz RRKZFFYBEQMSIV-CMPLNLGQSA-N 1 0 378.336 2.265 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000423368008 648590185 /nfs/dbraw/zinc/59/01/85/648590185.db2.gz RUZJNQMZNUMUFP-BBRMVZONSA-N 1 0 381.929 2.024 20 0 GEADRO CC[C@@H](NC[C@]1(COC)CCC[NH2+]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423413633 648590677 /nfs/dbraw/zinc/59/06/77/648590677.db2.gz LCRNYBTXDWFIBQ-WBVHZDCISA-N 1 0 389.949 2.057 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000423465172 648591581 /nfs/dbraw/zinc/59/15/81/648591581.db2.gz CDPGPXQXPHIRPZ-ZDUSSCGKSA-N 1 0 381.929 2.243 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423484029 648592693 /nfs/dbraw/zinc/59/26/93/648592693.db2.gz YEDXDDLUECLWFI-NWDGAFQWSA-N 1 0 388.295 2.039 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000423512392 648593721 /nfs/dbraw/zinc/59/37/21/648593721.db2.gz BLVIUYLPILZSIH-MRXNPFEDSA-N 1 0 396.329 2.489 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000423521075 648594134 /nfs/dbraw/zinc/59/41/34/648594134.db2.gz SACRYDWJPNEGPL-UHFFFAOYSA-N 1 0 384.318 2.112 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423557952 648595615 /nfs/dbraw/zinc/59/56/15/648595615.db2.gz IRWNDBDDZXXLBO-UHFFFAOYSA-N 1 0 396.285 2.059 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423580930 648596453 /nfs/dbraw/zinc/59/64/53/648596453.db2.gz UKRGTHUZRPPOIV-CQSZACIVSA-N 1 0 394.313 2.062 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000423573067 648596642 /nfs/dbraw/zinc/59/66/42/648596642.db2.gz YJMMZZHDWXXUET-XQQFMLRXSA-N 1 0 382.302 2.177 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423592267 648596948 /nfs/dbraw/zinc/59/69/48/648596948.db2.gz ICBAQWYTDWJYPT-KBPBESRZSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCC(=O)c1ccc(I)cc1 ZINC000423638319 648597559 /nfs/dbraw/zinc/59/75/59/648597559.db2.gz IODKLPKJHLALMD-GWCFXTLKSA-N 1 0 386.233 2.202 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000423658705 648598496 /nfs/dbraw/zinc/59/84/96/648598496.db2.gz GPKPMTWZXBRWKC-LLVKDONJSA-N 1 0 388.331 2.070 20 0 GEADRO COCCN(Cc1sccc1Br)C(=O)COC1CC[NH2+]CC1 ZINC000423844847 648602595 /nfs/dbraw/zinc/60/25/95/648602595.db2.gz NUVBCAIPDYKBNI-UHFFFAOYSA-N 1 0 391.331 2.254 20 0 GEADRO COC[C@]1(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000423854389 648602926 /nfs/dbraw/zinc/60/29/26/648602926.db2.gz XPBFFKSMDKYQEN-SFHVURJKSA-N 1 0 397.313 2.445 20 0 GEADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(Br)ccc1O ZINC000423941962 648603594 /nfs/dbraw/zinc/60/35/94/648603594.db2.gz AGEGAWLUDNWDAV-UHFFFAOYSA-N 1 0 382.302 2.101 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423928443 648603604 /nfs/dbraw/zinc/60/36/04/648603604.db2.gz SDMHPTVFPQDPPC-LBPRGKRZSA-N 1 0 378.778 2.397 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423951780 648605171 /nfs/dbraw/zinc/60/51/71/648605171.db2.gz ZNBWCIQJCDYNHE-XHDPSFHLSA-N 1 0 382.302 2.201 20 0 GEADRO [NH3+]C[C@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CCCC1 ZINC000423962065 648605812 /nfs/dbraw/zinc/60/58/12/648605812.db2.gz OPVOOTNIDZBZIK-ZDUSSCGKSA-N 1 0 382.258 2.027 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000423994876 648607458 /nfs/dbraw/zinc/60/74/58/648607458.db2.gz ITVUEXDWEDFBDA-VIFPVBQESA-N 1 0 383.164 2.066 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3c(F)cccc3Br)C2)nn1 ZINC000423999506 648607881 /nfs/dbraw/zinc/60/78/81/648607881.db2.gz KIBQAGSMLQTVIL-LLVKDONJSA-N 1 0 382.237 2.116 20 0 GEADRO CCCc1c(C(=O)N(C)CC[NH3+])nnn1Cc1cccc(Br)c1 ZINC000423999950 648607998 /nfs/dbraw/zinc/60/79/98/648607998.db2.gz DKARGGKFGDQZIC-UHFFFAOYSA-N 1 0 380.290 2.072 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(I)c1 ZINC000424000520 648608531 /nfs/dbraw/zinc/60/85/31/648608531.db2.gz BSSUQHHSOPEBNC-WDEREUQCSA-N 1 0 388.249 2.357 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N(C)CC[NH3+])C1 ZINC000424010402 648609653 /nfs/dbraw/zinc/60/96/53/648609653.db2.gz NVZKOUKDBUZHDY-ZDUSSCGKSA-N 1 0 382.302 2.027 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)COc3ccc(Cl)cc3Cl)C2)nn1 ZINC000424008369 648609852 /nfs/dbraw/zinc/60/98/52/648609852.db2.gz WRQKQWWWYCXKIM-CYBMUJFWSA-N 1 0 384.267 2.286 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424014282 648610165 /nfs/dbraw/zinc/61/01/65/648610165.db2.gz LJGVGXJCPYOFNO-DCAQKATOSA-N 1 0 388.331 2.072 20 0 GEADRO O=C(COc1cccc(I)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424023933 648610297 /nfs/dbraw/zinc/61/02/97/648610297.db2.gz GYOBOBDNVMHXIC-OAHLLOKOSA-N 1 0 386.233 2.025 20 0 GEADRO CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])c2ccc(Cl)cc2)c1 ZINC000424126899 648614906 /nfs/dbraw/zinc/61/49/06/648614906.db2.gz PFTZJJDLHJKXEI-IXDOHACOSA-N 1 0 378.881 2.296 20 0 GEADRO CS(=O)(=O)CCCC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000424170095 648615440 /nfs/dbraw/zinc/61/54/40/648615440.db2.gz JCGXSECEKXUOSB-UHFFFAOYSA-N 1 0 377.297 2.489 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)CCOc3cccc(Cl)c3Cl)C[C@H]2[NH3+])cn1 ZINC000424229416 648621207 /nfs/dbraw/zinc/62/12/07/648621207.db2.gz XCCYCUUJRNVJIE-GXTWGEPZSA-N 1 0 383.279 2.449 20 0 GEADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3nn(C)cc3I)C[C@H]2C1 ZINC000424352554 648623299 /nfs/dbraw/zinc/62/32/99/648623299.db2.gz QDSJHXYXBQHXLU-BKUVIOGVSA-N 1 0 375.254 2.318 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000424461917 648629338 /nfs/dbraw/zinc/62/93/38/648629338.db2.gz DOIHNKFJLUEYAV-ZNMIVQPWSA-N 1 0 398.301 2.084 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424472895 648629949 /nfs/dbraw/zinc/62/99/49/648629949.db2.gz VOXYUNRSYUTAMN-YUMQZZPRSA-N 1 0 381.645 2.480 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000424474659 648630477 /nfs/dbraw/zinc/63/04/77/648630477.db2.gz YEANBLKHIPDOQK-LLVKDONJSA-N 1 0 379.629 2.187 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)N[C@@H]1CCC[NH2+]C1 ZINC000424481172 648631249 /nfs/dbraw/zinc/63/12/49/648631249.db2.gz QTOIPLVSPYVNAI-GFCCVEGCSA-N 1 0 393.656 2.496 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(Br)c4c(c3)OCCO4)[C@@H]2C1 ZINC000425055707 648663068 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CCN1CC[C@H]([NH2+]CCCS(=O)(=O)NC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549479234 651097723 /nfs/dbraw/zinc/09/77/23/651097723.db2.gz ZAZRGXLTSUESCP-JKSUJKDBSA-N 1 0 377.913 2.143 20 0 GEADRO CN(CC(=O)N1CC[N@H+](C)C(C)(C)C1)C(=O)c1ccc(Br)s1 ZINC000549720909 651099246 /nfs/dbraw/zinc/09/92/46/651099246.db2.gz QINBSALUBDHMJI-UHFFFAOYSA-N 1 0 388.331 2.135 20 0 GEADRO C[C@@H](NC(=O)c1sccc1OC(F)F)C(=O)NCC[NH+]1CCCCC1 ZINC000549728163 651099659 /nfs/dbraw/zinc/09/96/59/651099659.db2.gz JXGKGWQDZDVOMS-LLVKDONJSA-N 1 0 375.441 2.070 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)C[C@H](C)COC2CCCC2)C[C@@H]1[NH+]1CCCC1 ZINC000549804927 651100970 /nfs/dbraw/zinc/10/09/70/651100970.db2.gz CBLQNVOXTJUUIW-BPQIPLTHSA-N 1 0 390.615 2.423 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000549963306 651104188 /nfs/dbraw/zinc/10/41/88/651104188.db2.gz CVCUEPPJHJAZFL-IOASZLSFSA-N 1 0 396.329 2.425 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1)C(C)(C)C[NH+](C)C ZINC000550934930 651116684 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C[C@@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)NC(=O)NC1CC1 ZINC000551717724 651130231 /nfs/dbraw/zinc/13/02/31/651130231.db2.gz YXTVRNWRLHBFGF-OTYXRUKQSA-N 1 0 381.274 2.262 20 0 GEADRO CN(C)S(=O)(=O)CCC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000551720713 651130651 /nfs/dbraw/zinc/13/06/51/651130651.db2.gz FXCLCHQNSLTAHA-AWEZNQCLSA-N 1 0 376.320 2.166 20 0 GEADRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cccc(I)c1 ZINC000551802259 651133049 /nfs/dbraw/zinc/13/30/49/651133049.db2.gz AOAWLTLFIBPRQK-HNNXBMFYSA-N 1 0 391.249 2.474 20 0 GEADRO C[N@@H+]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000552034106 651138571 /nfs/dbraw/zinc/13/85/71/651138571.db2.gz FEXVVDBKTHYFPW-ZDUSSCGKSA-N 1 0 377.710 2.480 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1 ZINC000552090773 651140013 /nfs/dbraw/zinc/14/00/13/651140013.db2.gz UJBPMOWFKMSLSV-JBEBIEQOSA-N 1 0 380.535 2.324 20 0 GEADRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1nncn1C ZINC000552120590 651141077 /nfs/dbraw/zinc/14/10/77/651141077.db2.gz ARPUAVAVTHPBPV-HIFRSBDPSA-N 1 0 383.290 2.304 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552208516 651143824 /nfs/dbraw/zinc/14/38/24/651143824.db2.gz QAUKHOFGOWCBSO-ACJLOTCBSA-N 1 0 381.314 2.201 20 0 GEADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000552311070 651146589 /nfs/dbraw/zinc/14/65/89/651146589.db2.gz UVDXBZHIOODACP-NSHDSACASA-N 1 0 396.285 2.300 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552470806 651150115 /nfs/dbraw/zinc/15/01/15/651150115.db2.gz DILLLMPTHOITTL-AWEZNQCLSA-N 1 0 394.313 2.035 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000552500432 651150911 /nfs/dbraw/zinc/15/09/11/651150911.db2.gz BVVKDYLQDSSAJS-CYBMUJFWSA-N 1 0 396.329 2.053 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000552543722 651152148 /nfs/dbraw/zinc/15/21/48/651152148.db2.gz JYKYVRHGQYECRZ-UHFFFAOYSA-N 1 0 398.345 2.481 20 0 GEADRO CCn1c2cc(Br)ccc2nc1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000552734481 651156920 /nfs/dbraw/zinc/15/69/20/651156920.db2.gz JTOJBVYPJCROLE-HNNXBMFYSA-N 1 0 392.301 2.147 20 0 GEADRO CCn1c2cc(Br)ccc2nc1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000552734482 651156953 /nfs/dbraw/zinc/15/69/53/651156953.db2.gz JTOJBVYPJCROLE-OAHLLOKOSA-N 1 0 392.301 2.147 20 0 GEADRO C[C@@H](CNC(=O)CCNC(=O)Nc1ccc(Br)cc1)C[NH+](C)C ZINC000552887368 651160433 /nfs/dbraw/zinc/16/04/33/651160433.db2.gz WTPOSYNVZSHYPD-LBPRGKRZSA-N 1 0 385.306 2.275 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)s1 ZINC000553516809 651178530 /nfs/dbraw/zinc/17/85/30/651178530.db2.gz FXNDKOICCVKTIR-UHFFFAOYSA-N 1 0 388.559 2.377 20 0 GEADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cncc(I)c2)C[C@@H](C)C1 ZINC000553769031 651187427 /nfs/dbraw/zinc/18/74/27/651187427.db2.gz DKPQFXJUXUZTFB-SLEUVZQESA-N 1 0 399.276 2.489 20 0 GEADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCn2cc(Br)ccc2=O)C[C@@H](C)C1 ZINC000553784073 651188383 /nfs/dbraw/zinc/18/83/83/651188383.db2.gz MGLKGJJJXQHBGD-SQWLQELKSA-N 1 0 396.329 2.190 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCn2cc(Br)cn2)C1 ZINC000553821444 651189990 /nfs/dbraw/zinc/18/99/90/651189990.db2.gz ZIZANPMHRXLBBU-ZDUSSCGKSA-N 1 0 386.338 2.455 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCn1cc(Br)cn1 ZINC000553937350 651194859 /nfs/dbraw/zinc/19/48/59/651194859.db2.gz SYBFPVQEYCICJF-HZSPNIEDSA-N 1 0 386.338 2.311 20 0 GEADRO CCN(CC[NH+]1CCCCCC1)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000554172134 651199533 /nfs/dbraw/zinc/19/95/33/651199533.db2.gz UERYPHRXXUAPKX-UHFFFAOYSA-N 1 0 387.571 2.141 20 0 GEADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2n[nH]cc2Br)cc1 ZINC000554572279 651207170 /nfs/dbraw/zinc/20/71/70/651207170.db2.gz ICBVOIRPVSEWMG-HNNXBMFYSA-N 1 0 396.289 2.283 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(F)cc1Cl ZINC000554712524 651211342 /nfs/dbraw/zinc/21/13/42/651211342.db2.gz FRILSGKILKRVCS-UHOFOFEASA-N 1 0 388.892 2.305 20 0 GEADRO CC(C)[C@](C)(CO)[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000554976445 651215315 /nfs/dbraw/zinc/21/53/15/651215315.db2.gz VIXPCTLFLYJVGO-KRWDZBQOSA-N 1 0 387.318 2.283 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000555173272 651219486 /nfs/dbraw/zinc/21/94/86/651219486.db2.gz IBYQWQTWPMPDAR-CABCVRRESA-N 1 0 387.571 2.138 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)sc1C(F)(F)F ZINC000555262983 651221575 /nfs/dbraw/zinc/22/15/75/651221575.db2.gz WFYVUARVCMMDRO-UHFFFAOYSA-N 1 0 378.420 2.401 20 0 GEADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000555309758 651222595 /nfs/dbraw/zinc/22/25/95/651222595.db2.gz VTOZHBJBPLADFD-FZMZJTMJSA-N 1 0 380.286 2.285 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCc1cscn1)c1ccsc1 ZINC000555893037 651232142 /nfs/dbraw/zinc/23/21/42/651232142.db2.gz WWAMRBOFCKYZIF-OAHLLOKOSA-N 1 0 380.539 2.063 20 0 GEADRO CC1CC[NH+](CCNC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000556083347 651236161 /nfs/dbraw/zinc/23/61/61/651236161.db2.gz BQLDOZLESTYJBZ-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000556262990 651239058 /nfs/dbraw/zinc/23/90/58/651239058.db2.gz YWCKSVCBZCGCLR-CYBMUJFWSA-N 1 0 384.318 2.380 20 0 GEADRO CC[C@H](CSC)N(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556303948 651240105 /nfs/dbraw/zinc/24/01/05/651240105.db2.gz OJHBYZAMMMFRCC-OAHLLOKOSA-N 1 0 387.615 2.064 20 0 GEADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000556516554 651246014 /nfs/dbraw/zinc/24/60/14/651246014.db2.gz GMRAJCOXCBMHNF-QGZVFWFLSA-N 1 0 392.301 2.277 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1OC ZINC000556544952 651246579 /nfs/dbraw/zinc/24/65/79/651246579.db2.gz GPBMRBARHDBXNX-SMDDNHRTSA-N 1 0 398.301 2.312 20 0 GEADRO C[C@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ncc(Br)cn1 ZINC000556756895 651251442 /nfs/dbraw/zinc/25/14/42/651251442.db2.gz SVAWKMNLFTXIKO-NEPJUHHUSA-N 1 0 382.306 2.426 20 0 GEADRO CS[C@H]1CN(C(=O)c2cn3ccc(Br)cc3n2)C[C@H]1[NH+](C)C ZINC000556953272 651258270 /nfs/dbraw/zinc/25/82/70/651258270.db2.gz HGJMOMQZQVVPHM-OLZOCXBDSA-N 1 0 383.315 2.214 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1cn2ccc(Br)cc2n1 ZINC000556985318 651259133 /nfs/dbraw/zinc/25/91/33/651259133.db2.gz YENPEJQNQNDBBA-UHFFFAOYSA-N 1 0 383.290 2.185 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000557016254 651259970 /nfs/dbraw/zinc/25/99/70/651259970.db2.gz QPXPQSMKVPFAHZ-BBRMVZONSA-N 1 0 383.945 2.413 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000557154054 651265444 /nfs/dbraw/zinc/26/54/44/651265444.db2.gz BUGVPVCASYTLRH-HUUCEWRRSA-N 1 0 381.318 2.469 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000557251652 651267171 /nfs/dbraw/zinc/26/71/71/651267171.db2.gz KMVPAYAYUNOWTH-HNNXBMFYSA-N 1 0 396.329 2.235 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000557339144 651268681 /nfs/dbraw/zinc/26/86/81/651268681.db2.gz LPUCSNBPLSEPBB-ZDUSSCGKSA-N 1 0 383.283 2.319 20 0 GEADRO CCC[N@H+](C)[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000557340871 651268806 /nfs/dbraw/zinc/26/88/06/651268806.db2.gz GSAPRHIKFBXRFY-HNNXBMFYSA-N 1 0 389.949 2.167 20 0 GEADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000557637239 651271169 /nfs/dbraw/zinc/27/11/69/651271169.db2.gz FIETYMJNLLWYFX-UHFFFAOYSA-N 1 0 390.281 2.435 20 0 GEADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000558236086 651277629 /nfs/dbraw/zinc/27/76/29/651277629.db2.gz HISCQFXFKKUXBS-HZPDHXFCSA-N 1 0 397.313 2.276 20 0 GEADRO C[C@@H](O)C[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000558740609 651283916 /nfs/dbraw/zinc/28/39/16/651283916.db2.gz AOHPAGOMCODTLR-ZMSDIMECSA-N 1 0 388.961 2.235 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000559282151 651294853 /nfs/dbraw/zinc/29/48/53/651294853.db2.gz IMTZBAONGLADTB-TZMCWYRMSA-N 1 0 387.343 2.178 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000559604426 651298483 /nfs/dbraw/zinc/29/84/83/651298483.db2.gz FEYXVTKTGPPKSX-UHFFFAOYSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000559602435 651298515 /nfs/dbraw/zinc/29/85/15/651298515.db2.gz PAJFSYZYQSDLCB-KBPBESRZSA-N 1 0 396.329 2.444 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560024950 651303727 /nfs/dbraw/zinc/30/37/27/651303727.db2.gz YNOPDLPHTHVNBQ-HOTGVXAUSA-N 1 0 394.313 2.151 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000560273081 651305876 /nfs/dbraw/zinc/30/58/76/651305876.db2.gz BCNFITLHFLNJPJ-STQMWFEESA-N 1 0 385.302 2.107 20 0 GEADRO C[C@@H](NC(=O)c1cc(F)c(Br)cc1Cl)C(=O)NCC[NH+](C)C ZINC000560566934 651311604 /nfs/dbraw/zinc/31/16/04/651311604.db2.gz RGVIBDCXJZOOIY-MRVPVSSYSA-N 1 0 394.672 2.038 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000560583023 651312075 /nfs/dbraw/zinc/31/20/75/651312075.db2.gz NVRRLFLFIKVKFQ-HYVNUMGLSA-N 1 0 384.929 2.474 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C[C@@H]1O ZINC000560634151 651312979 /nfs/dbraw/zinc/31/29/79/651312979.db2.gz BECUMCYEVMZKIK-KBPBESRZSA-N 1 0 378.885 2.028 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000560671191 651313796 /nfs/dbraw/zinc/31/37/96/651313796.db2.gz LNXJUNAXBYBGHU-HUBLWGQQSA-N 1 0 382.302 2.225 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000560672129 651313960 /nfs/dbraw/zinc/31/39/60/651313960.db2.gz LTBHLKPRYRNSIW-CJNGLKHVSA-N 1 0 384.307 2.205 20 0 GEADRO CCC[C@@H]([NH3+])c1cn(CC(=O)Nc2ccc(I)cc2)nn1 ZINC000603161246 651470300 /nfs/dbraw/zinc/47/03/00/651470300.db2.gz JJUIARRRUBHGKJ-GFCCVEGCSA-N 1 0 399.236 2.321 20 0 GEADRO Cc1cc(NC(=O)CC[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)no1 ZINC000560859737 651470783 /nfs/dbraw/zinc/47/07/83/651470783.db2.gz WVRKIPLXRKDKPX-LLVKDONJSA-N 1 0 388.251 2.648 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1nc2ccc(Br)cn2n1 ZINC000560880366 651471145 /nfs/dbraw/zinc/47/11/45/651471145.db2.gz WFSXFUHHEYMBJH-GFCCVEGCSA-N 1 0 380.290 2.342 20 0 GEADRO CCC[N@H+](C)[C@H](CNC(=O)CN(C)S(=O)(=O)CC)c1ccc(Cl)cc1 ZINC000560972509 651472870 /nfs/dbraw/zinc/47/28/70/651472870.db2.gz DKDXKQIUWVNJOV-MRXNPFEDSA-N 1 0 389.949 2.121 20 0 GEADRO COC(=O)c1ccc(Cn2cc([C@H]([NH3+])[C@H]3CCCO3)nn2)c(Br)c1 ZINC000603239644 651473324 /nfs/dbraw/zinc/47/33/24/651473324.db2.gz INVHQTLJZDKURN-CABCVRRESA-N 1 0 395.257 2.054 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000642639899 651473344 /nfs/dbraw/zinc/47/33/44/651473344.db2.gz LRXDSWNXSSCILG-UHFFFAOYSA-N 1 0 384.307 2.400 20 0 GEADRO [NH3+]CCSCc1cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000603257850 651474602 /nfs/dbraw/zinc/47/46/02/651474602.db2.gz KSSKAWNPXXNDQV-GFCCVEGCSA-N 1 0 377.297 2.217 20 0 GEADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000717051650 651474841 /nfs/dbraw/zinc/47/48/41/651474841.db2.gz UBZRICZKBIYUNM-QMMMGPOBSA-N 1 0 389.287 2.342 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000642854614 651475085 /nfs/dbraw/zinc/47/50/85/651475085.db2.gz FRPGATNRLSGTRS-UHFFFAOYSA-N 1 0 375.416 2.490 20 0 GEADRO COc1c(Br)cc(C[NH2+]C[C@@H](O)[C@H](C)O)cc1Br ZINC000717318528 651475183 /nfs/dbraw/zinc/47/51/83/651475183.db2.gz RDSRXSMBVNGMGE-WRWORJQWSA-N 1 0 383.080 2.052 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(I)c(O)c1 ZINC000720843703 651476329 /nfs/dbraw/zinc/47/63/29/651476329.db2.gz JOPKYRACMKNPCY-CHWSQXEVSA-N 1 0 386.233 2.306 20 0 GEADRO C[NH+](C)CCn1nnnc1SCCc1cc(Cl)c2c(c1)OCCCO2 ZINC000561257536 651477017 /nfs/dbraw/zinc/47/70/17/651477017.db2.gz TXROULDUICIMGG-UHFFFAOYSA-N 1 0 383.905 2.384 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000643081367 651477522 /nfs/dbraw/zinc/47/75/22/651477522.db2.gz QUBFGINYGMUHJP-ULQDDVLXSA-N 1 0 396.329 2.194 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(c2ncc(OC)cc2I)C1 ZINC000603303053 651478790 /nfs/dbraw/zinc/47/87/90/651478790.db2.gz ONVHPJWPSFIMJH-LLVKDONJSA-N 1 0 375.254 2.473 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000643297103 651482946 /nfs/dbraw/zinc/48/29/46/651482946.db2.gz AFJUBRUIYWACLY-DGCLKSJQSA-N 1 0 393.289 2.147 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCc2nnnn2CC1 ZINC000643297105 651483119 /nfs/dbraw/zinc/48/31/19/651483119.db2.gz AFJUBRUIYWACLY-YPMHNXCESA-N 1 0 393.289 2.147 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000643364411 651484072 /nfs/dbraw/zinc/48/40/72/651484072.db2.gz GKOWLRQPTGAKDC-LBPRGKRZSA-N 1 0 378.270 2.457 20 0 GEADRO Cc1cc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cc(Cl)c1Br ZINC000561969662 651485825 /nfs/dbraw/zinc/48/58/25/651485825.db2.gz YYWDQRQQSXKTLO-SNVBAGLBSA-N 1 0 390.709 2.207 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000562065952 651487764 /nfs/dbraw/zinc/48/77/64/651487764.db2.gz XAKSMQNIOYEIRQ-HZSPNIEDSA-N 1 0 384.464 2.265 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)CCO1 ZINC000643486310 651488736 /nfs/dbraw/zinc/48/87/36/651488736.db2.gz RGDNCYNMYGLHDM-ZIBATOQPSA-N 1 0 388.295 2.087 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000643489094 651489012 /nfs/dbraw/zinc/48/90/12/651489012.db2.gz SXWHLXLCHUMNNS-HNNXBMFYSA-N 1 0 394.313 2.452 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)CC[C@H]1[NH3+] ZINC000643491160 651489124 /nfs/dbraw/zinc/48/91/24/651489124.db2.gz PLNXZWXPAFWSMD-GXFFZTMASA-N 1 0 388.331 2.055 20 0 GEADRO C[C@@H](NC(=O)c1ncc(I)s1)C1=CC[N@H+](C)CC1 ZINC000603427220 651490083 /nfs/dbraw/zinc/49/00/83/651490083.db2.gz BNTAPZYZLARPNM-MRVPVSSYSA-N 1 0 377.251 2.128 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ncc(I)s1 ZINC000603433885 651491672 /nfs/dbraw/zinc/49/16/72/651491672.db2.gz JGOGCSIWXUQLKV-VHSXEESVSA-N 1 0 391.278 2.447 20 0 GEADRO C[N@H+](CCCCNC(=O)c1ncc(I)s1)C1CC1 ZINC000603434356 651492178 /nfs/dbraw/zinc/49/21/78/651492178.db2.gz NIKIZVSHPOFWOJ-UHFFFAOYSA-N 1 0 379.267 2.352 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2ncc(I)s2)C[N@@H+]1C1CC1 ZINC000603436761 651492586 /nfs/dbraw/zinc/49/25/86/651492586.db2.gz DAADTNFBJOUSKD-HTQZYQBOSA-N 1 0 377.251 2.103 20 0 GEADRO O=C(NCCCc1cccc(Br)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000643688912 651495058 /nfs/dbraw/zinc/49/50/58/651495058.db2.gz NPTTYKGNHRTENJ-HNNXBMFYSA-N 1 0 392.301 2.328 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cnn(-c2ccccc2Br)c1 ZINC000562758517 651501397 /nfs/dbraw/zinc/50/13/97/651501397.db2.gz LEVVTENNCNKUNW-ZDUSSCGKSA-N 1 0 394.273 2.135 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000562976429 651504557 /nfs/dbraw/zinc/50/45/57/651504557.db2.gz FRQQEHXDBVSEKE-HNNXBMFYSA-N 1 0 385.302 2.275 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000563100334 651510141 /nfs/dbraw/zinc/51/01/41/651510141.db2.gz GTYULINLJUPBMQ-CYBMUJFWSA-N 1 0 382.302 2.306 20 0 GEADRO O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000563101192 651510206 /nfs/dbraw/zinc/51/02/06/651510206.db2.gz DFVXWNQTRJYQRJ-UHFFFAOYSA-N 1 0 383.283 2.483 20 0 GEADRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccc(Cl)nc3)cn2)CC1 ZINC000727072209 651510302 /nfs/dbraw/zinc/51/03/02/651510302.db2.gz KZKRFQPPYDOZKL-UHFFFAOYSA-N 1 0 376.917 2.368 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000643970608 651512831 /nfs/dbraw/zinc/51/28/31/651512831.db2.gz CGHRIGJGASMQMK-ZDUSSCGKSA-N 1 0 380.901 2.437 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000563155106 651513014 /nfs/dbraw/zinc/51/30/14/651513014.db2.gz GXFMPJAMSOYLDV-OAHLLOKOSA-N 1 0 382.302 2.054 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000563160985 651513314 /nfs/dbraw/zinc/51/33/14/651513314.db2.gz VRVIICXWHPGUFO-OLZOCXBDSA-N 1 0 385.258 2.012 20 0 GEADRO CN(CCC[NH3+])C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000644068007 651518982 /nfs/dbraw/zinc/51/89/82/651518982.db2.gz VYYLTPLJLTUUFS-UHFFFAOYSA-N 1 0 382.302 2.109 20 0 GEADRO COc1cc(C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc(Br)c1OC ZINC000644106298 651521465 /nfs/dbraw/zinc/52/14/65/651521465.db2.gz RMRYMPXNPINGQA-NEPJUHHUSA-N 1 0 387.274 2.045 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563303341 651523634 /nfs/dbraw/zinc/52/36/34/651523634.db2.gz NYPXBCBYECLUOZ-UHFFFAOYSA-N 1 0 388.331 2.056 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000563465740 651525720 /nfs/dbraw/zinc/52/57/20/651525720.db2.gz RYCVDXRLEXSHES-UHFFFAOYSA-N 1 0 396.329 2.182 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644297552 651531867 /nfs/dbraw/zinc/53/18/67/651531867.db2.gz AWCXPEVQYGGTJJ-YDHLFZDLSA-N 1 0 388.917 2.078 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000644299728 651533152 /nfs/dbraw/zinc/53/31/52/651533152.db2.gz ATHUGRUIEUYKRZ-YUMQZZPRSA-N 1 0 385.736 2.489 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)ccc3Cl)[C@@H]2C1 ZINC000644300959 651533481 /nfs/dbraw/zinc/53/34/81/651533481.db2.gz OUBQFNIFANMVPB-BXKDBHETSA-N 1 0 379.707 2.427 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3c(Cl)cccc3Br)[C@@H]2C1 ZINC000644303147 651534151 /nfs/dbraw/zinc/53/41/51/651534151.db2.gz UEZSYYQSGWICTE-JOYOIKCWSA-N 1 0 379.707 2.427 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000644302238 651534426 /nfs/dbraw/zinc/53/44/26/651534426.db2.gz RYBKBWOOHYXTEP-BXKDBHETSA-N 1 0 379.707 2.427 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2nc(C3CC3)ncc2Br)cn1 ZINC000644454069 651546494 /nfs/dbraw/zinc/54/64/94/651546494.db2.gz FSQYYJLAHLFDHK-UHFFFAOYSA-N 1 0 379.262 2.127 20 0 GEADRO C[N@H+](CC(=O)NC[C@H](NCc1ccccc1)C(F)(F)F)[C@H]1CCSC1 ZINC000563959943 651548612 /nfs/dbraw/zinc/54/86/12/651548612.db2.gz LWYYZJXMLRTUHS-GJZGRUSLSA-N 1 0 375.460 2.261 20 0 GEADRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644519285 651551136 /nfs/dbraw/zinc/55/11/36/651551136.db2.gz JAWIVVVCYRQLHC-NSHDSACASA-N 1 0 399.340 2.041 20 0 GEADRO O=C(c1cc2cc(Cl)sc2[nH]1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000564023845 651551980 /nfs/dbraw/zinc/55/19/80/651551980.db2.gz XIBLABFKUGNWOZ-UHFFFAOYSA-N 1 0 383.901 2.182 20 0 GEADRO CS(=O)(=O)C1CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000644574054 651555765 /nfs/dbraw/zinc/55/57/65/651555765.db2.gz PYMHWHUIYURZIT-CGZBRXJRSA-N 1 0 375.918 2.163 20 0 GEADRO O=S1(=O)CCCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000644619803 651558664 /nfs/dbraw/zinc/55/86/64/651558664.db2.gz LSWVFNKGGQCXPW-OLZOCXBDSA-N 1 0 382.309 2.290 20 0 GEADRO C[C@@H]1C[NH+](C[C@H](O)CNCc2cc(F)c(F)cc2Br)C[C@@H](C)O1 ZINC000644646182 651560996 /nfs/dbraw/zinc/56/09/96/651560996.db2.gz WNUUJXFZJLUJQU-NQBHXWOUSA-N 1 0 393.272 2.287 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCOc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000644657742 651561794 /nfs/dbraw/zinc/56/17/94/651561794.db2.gz UVFWUCVBXVXQMR-MCIONIFRSA-N 1 0 377.312 2.432 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)n2)s1 ZINC000564458597 651568177 /nfs/dbraw/zinc/56/81/77/651568177.db2.gz RJBYHIKOLNDJJM-UHFFFAOYSA-N 1 0 379.511 2.032 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000644816200 651570094 /nfs/dbraw/zinc/57/00/94/651570094.db2.gz USLJLIULLDWDKU-LRDDRELGSA-N 1 0 375.270 2.411 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)[C@@H]2C1 ZINC000644816197 651570136 /nfs/dbraw/zinc/57/01/36/651570136.db2.gz USLJLIULLDWDKU-BLLLJJGKSA-N 1 0 375.270 2.411 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)CSc3nncn3-c3cccc(Cl)c3)[C@@H]2C1 ZINC000644822142 651570406 /nfs/dbraw/zinc/57/04/06/651570406.db2.gz JMHKHGSQAHHISR-IUODEOHRSA-N 1 0 377.901 2.175 20 0 GEADRO O=C(NCCc1ccccc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729499250 651570991 /nfs/dbraw/zinc/57/09/91/651570991.db2.gz CGIXURXIDZMTJE-CABCVRRESA-N 1 0 382.302 2.154 20 0 GEADRO CCNC(=O)CCC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000644834699 651571286 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CCCN(C(=O)C(=O)Nc1cc(F)ccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000646765848 651717738 /nfs/dbraw/zinc/71/77/38/651717738.db2.gz NGJAJCSQHVODTK-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CCC[C@H](O)C1)COc1cc(F)cc(Br)c1 ZINC000569811229 651726226 /nfs/dbraw/zinc/72/62/26/651726226.db2.gz XULAYIWHMHJSSW-TUKIKUTGSA-N 1 0 376.266 2.469 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)[C@@H]2C1 ZINC000646911797 651727137 /nfs/dbraw/zinc/72/71/37/651727137.db2.gz HCNOXCAVFXJHBO-BLLLJJGKSA-N 1 0 375.270 2.411 20 0 GEADRO C[C@H](CCCCO)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000611519112 651727367 /nfs/dbraw/zinc/72/73/67/651727367.db2.gz VHRGBGYQPWPFHO-OCCSQVGLSA-N 1 0 393.265 2.172 20 0 GEADRO O=C(CCCc1ccc(Br)s1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000569824906 651727441 /nfs/dbraw/zinc/72/74/41/651727441.db2.gz KMCKKKIZYTXESG-MRXNPFEDSA-N 1 0 387.343 2.406 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)[C@@H]2C1 ZINC000646917791 651727841 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386.315 2.360 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)CC[NH2+]1 ZINC000647276824 651740095 /nfs/dbraw/zinc/74/00/95/651740095.db2.gz MOVDFAJKHDTGMV-GHMZBOCLSA-N 1 0 386.315 2.360 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)ccc1Cl ZINC000734243319 651740325 /nfs/dbraw/zinc/74/03/25/651740325.db2.gz HJWZEQNSEQWPOX-CQSZACIVSA-N 1 0 376.881 2.401 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000647278166 651740473 /nfs/dbraw/zinc/74/04/73/651740473.db2.gz GQVGXWWEABFILK-SWLSCSKDSA-N 1 0 385.555 2.098 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000570027015 651741247 /nfs/dbraw/zinc/74/12/47/651741247.db2.gz LGBJJVOIAIPJNB-UHFFFAOYSA-N 1 0 377.819 2.427 20 0 GEADRO O=S(=O)(c1ccc(Br)cn1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647308353 651743480 /nfs/dbraw/zinc/74/34/80/651743480.db2.gz OFDIPNZNQQLCRS-QWHCGFSZSA-N 1 0 388.331 2.244 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc21 ZINC000647324159 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2.214 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)N[C@H]3CCc4sc(Cl)cc43)C2)nn1 ZINC000570188062 651752377 /nfs/dbraw/zinc/75/23/77/651752377.db2.gz XJQUJMUEGGZSCW-YPMHNXCESA-N 1 0 380.905 2.486 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000734761736 651753688 /nfs/dbraw/zinc/75/36/88/651753688.db2.gz BBKQRBJWLPZQFE-INIZCTEOSA-N 1 0 381.977 2.211 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1(c2ccc(Br)cc2)CCC1 ZINC000647678914 651754102 /nfs/dbraw/zinc/75/41/02/651754102.db2.gz FQARERQPJYOXHV-KRWDZBQOSA-N 1 0 392.341 2.377 20 0 GEADRO CC(C)(C)n1cc(Br)c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000612388867 651754203 /nfs/dbraw/zinc/75/42/03/651754203.db2.gz MEGJKXHHERGUDV-CYBMUJFWSA-N 1 0 399.333 2.384 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Cl)cc(F)c1Br ZINC000647678940 651754230 /nfs/dbraw/zinc/75/42/30/651754230.db2.gz GNHKOZWYQSXYCX-LLVKDONJSA-N 1 0 390.684 2.361 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000570294320 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C[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C[C@@H]1[NH3+] ZINC000571656332 651846854 /nfs/dbraw/zinc/84/68/54/651846854.db2.gz JBPMAGRGQSJAJA-CJNGLKHVSA-N 1 0 396.329 2.486 20 0 GEADRO C[C@@H](C[C@@H]1COCC[NH2+]1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000571789100 651854046 /nfs/dbraw/zinc/85/40/46/651854046.db2.gz LHUBTJYZXXWHIO-GXSJLCMTSA-N 1 0 377.798 2.258 20 0 GEADRO CC[NH+](CC)CCN(C(=O)Cc1nnc(C)o1)c1ccc(Br)cn1 ZINC000571807612 651854967 /nfs/dbraw/zinc/85/49/67/651854967.db2.gz ZEEAGAHQKSJUKN-UHFFFAOYSA-N 1 0 396.289 2.453 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1=O ZINC000650305191 651855014 /nfs/dbraw/zinc/85/50/14/651855014.db2.gz MPGNUGIOQWUQSH-LSDHHAIUSA-N 1 0 384.307 2.329 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1=O ZINC000650306712 651855163 /nfs/dbraw/zinc/85/51/63/651855163.db2.gz YQCCMNSFPCLBJK-UHFFFAOYSA-N 1 0 377.794 2.205 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000571867005 651858370 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396.329 2.194 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000652522072 651917404 /nfs/dbraw/zinc/91/74/04/651917404.db2.gz SIYIFQZRFBCCMQ-UHFFFAOYSA-N 1 0 384.318 2.273 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000652523178 651917448 /nfs/dbraw/zinc/91/74/48/651917448.db2.gz IGQAISMJNCEJOP-UHFFFAOYSA-N 1 0 398.301 2.488 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3ccncc3Br)C2)C1 ZINC000652588467 651918610 /nfs/dbraw/zinc/91/86/10/651918610.db2.gz ACKUKBBUBLABIO-JMSVASOKSA-N 1 0 383.290 2.016 20 0 GEADRO CNC(=O)c1cccc(NC(=O)NCCC2CC[NH2+]CC2)c1Br ZINC000652605600 651919470 /nfs/dbraw/zinc/91/94/70/651919470.db2.gz MQVPGAGFAZFZLZ-UHFFFAOYSA-N 1 0 383.290 2.320 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(F)cc1Br ZINC000652630808 651919971 /nfs/dbraw/zinc/91/99/71/651919971.db2.gz QCCAVHBUAAYOJX-GTNSWQLSSA-N 1 0 398.276 2.423 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)Nc1c(F)cccc1Br)C2 ZINC000652628964 651920088 /nfs/dbraw/zinc/92/00/88/651920088.db2.gz VTEJEKPZZKXJQU-QFYYESIMSA-N 1 0 384.249 2.114 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652628558 651920250 /nfs/dbraw/zinc/92/02/50/651920250.db2.gz DGGDIHKNMMKFAN-SJCJKPOMSA-N 1 0 380.286 2.283 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000617012208 651920892 /nfs/dbraw/zinc/92/08/92/651920892.db2.gz WSVYAPRIAOYAKH-GFCCVEGCSA-N 1 0 393.289 2.027 20 0 GEADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000652633850 651920956 /nfs/dbraw/zinc/92/09/56/651920956.db2.gz DRZIZXWTILODAP-UHFFFAOYSA-N 1 0 380.286 2.122 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000617009960 651920973 /nfs/dbraw/zinc/92/09/73/651920973.db2.gz HMCOODJTERHWAO-SNVBAGLBSA-N 1 0 388.331 2.229 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000652642401 651921811 /nfs/dbraw/zinc/92/18/11/651921811.db2.gz SDFSKDLYIDKDOZ-UHFFFAOYSA-N 1 0 395.301 2.166 20 0 GEADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cncc(Br)c1 ZINC000617115254 651925896 /nfs/dbraw/zinc/92/58/96/651925896.db2.gz NHFHKDWSGHMCIF-UHFFFAOYSA-N 1 0 382.302 2.465 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000572981011 651927712 /nfs/dbraw/zinc/92/77/12/651927712.db2.gz DMFDYBFAZUPSON-UHFFFAOYSA-N 1 0 376.366 2.160 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000573074273 651932669 /nfs/dbraw/zinc/93/26/69/651932669.db2.gz MFCMGENYXDKBDM-MRXNPFEDSA-N 1 0 399.308 2.244 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC(Cn2cnnc2)CC1)c1ccc(Br)cc1 ZINC000653201979 651935698 /nfs/dbraw/zinc/93/56/98/651935698.db2.gz CSXUOMSFTCNLDJ-KRWDZBQOSA-N 1 0 392.301 2.153 20 0 GEADRO [NH3+]CC1(CCNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000653218668 651936393 /nfs/dbraw/zinc/93/63/93/651936393.db2.gz FORJBWMMOZKOMH-GFCCVEGCSA-N 1 0 380.286 2.047 20 0 GEADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573181821 651939200 /nfs/dbraw/zinc/93/92/00/651939200.db2.gz OGNZFJGMFVDCFD-KGLIPLIRSA-N 1 0 375.270 2.316 20 0 GEADRO C[C@@H](C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)S(C)(=O)=O ZINC000573199257 651940612 /nfs/dbraw/zinc/94/06/12/651940612.db2.gz RHKRQVVMTOHQNJ-ZDUSSCGKSA-N 1 0 389.359 2.436 20 0 GEADRO C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000573221814 651942393 /nfs/dbraw/zinc/94/23/93/651942393.db2.gz QTXDJUONOSWICG-JTNHKYCSSA-N 1 0 385.295 2.050 20 0 GEADRO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1c(Cl)cccc1Cl ZINC000573221815 651942638 /nfs/dbraw/zinc/94/26/38/651942638.db2.gz QTXDJUONOSWICG-SUNKGSAMSA-N 1 0 385.295 2.050 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(Br)s1 ZINC000573239943 651943788 /nfs/dbraw/zinc/94/37/88/651943788.db2.gz ADLSAMAYPOVQJB-UHFFFAOYSA-N 1 0 398.392 2.015 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000617412618 651944803 /nfs/dbraw/zinc/94/48/03/651944803.db2.gz PCMOFQCMNSBZMD-CJNGLKHVSA-N 1 0 396.329 2.414 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc1Br ZINC000573291593 651945089 /nfs/dbraw/zinc/94/50/89/651945089.db2.gz VXRZLHMSCNOMAH-LLVKDONJSA-N 1 0 379.320 2.465 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1I ZINC000573323606 651947692 /nfs/dbraw/zinc/94/76/92/651947692.db2.gz PTGPCHIIEDYJRM-SNVBAGLBSA-N 1 0 382.267 2.005 20 0 GEADRO C[NH+]1CCC(NC(=S)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000741487878 651952035 /nfs/dbraw/zinc/95/20/35/651952035.db2.gz FHEAFBLFQBMYIB-OAHLLOKOSA-N 1 0 380.945 2.394 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000617477614 651953442 /nfs/dbraw/zinc/95/34/42/651953442.db2.gz GCRBDSDRYVWHLZ-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000617554623 651957271 /nfs/dbraw/zinc/95/72/71/651957271.db2.gz GTLHDZFNIKACGQ-GFCCVEGCSA-N 1 0 378.270 2.457 20 0 GEADRO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000653868104 651958109 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C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000654663239 651967194 /nfs/dbraw/zinc/96/71/94/651967194.db2.gz KOWMPJBCXYEYKP-NVBFEUDRSA-N 1 0 388.281 2.261 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000573643156 651970913 /nfs/dbraw/zinc/97/09/13/651970913.db2.gz ZOCBSVPTRYCFCG-UHFFFAOYSA-N 1 0 390.311 2.036 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617763317 651971080 /nfs/dbraw/zinc/97/10/80/651971080.db2.gz MVWWDYOVGPVHQT-UHFFFAOYSA-N 1 0 390.297 2.210 20 0 GEADRO C[C@@H](CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[NH+](C)C ZINC000617751555 651971143 /nfs/dbraw/zinc/97/11/43/651971143.db2.gz ZBOBYLPWJPEZQV-QWHCGFSZSA-N 1 0 382.302 2.258 20 0 GEADRO CO[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccccc1Br ZINC000655016620 651971162 /nfs/dbraw/zinc/97/11/62/651971162.db2.gz YTQJUKSAYXHFRB-CJNGLKHVSA-N 1 0 399.329 2.440 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000573696662 651974380 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C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000574040728 651997125 /nfs/dbraw/zinc/99/71/25/651997125.db2.gz XDLCPVCEARZCKI-VHSXEESVSA-N 1 0 390.709 2.003 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)c(Br)c1 ZINC000574060868 651998569 /nfs/dbraw/zinc/99/85/69/651998569.db2.gz IFVMHIDDHKYUEN-GJZGRUSLSA-N 1 0 381.270 2.479 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000742733826 651998835 /nfs/dbraw/zinc/99/88/35/651998835.db2.gz BIRKSNUYSSHVNU-GJZGRUSLSA-N 1 0 388.965 2.024 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)C1 ZINC000574062485 651999289 /nfs/dbraw/zinc/99/92/89/651999289.db2.gz VULZFYSLCFPSBM-CABCVRRESA-N 1 0 387.933 2.218 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655633136 652001572 /nfs/dbraw/zinc/00/15/72/652001572.db2.gz CIAWJNHAFCKWLG-TXEJJXNPSA-N 1 0 391.331 2.385 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618300166 652002858 /nfs/dbraw/zinc/00/28/58/652002858.db2.gz OITVGUYQBRNOAI-LBPRGKRZSA-N 1 0 390.311 2.239 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1Br ZINC000618304374 652003198 /nfs/dbraw/zinc/00/31/98/652003198.db2.gz YIBVJAVPZKVDBU-UHFFFAOYSA-N 1 0 390.709 2.195 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000742915457 652005878 /nfs/dbraw/zinc/00/58/78/652005878.db2.gz LLWVLFZWJIDDCO-CYBMUJFWSA-N 1 0 392.301 2.444 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000655718617 652008258 /nfs/dbraw/zinc/00/82/58/652008258.db2.gz CTRJOCNMGBTVBS-MRXNPFEDSA-N 1 0 393.329 2.490 20 0 GEADRO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000655751331 652009750 /nfs/dbraw/zinc/00/97/50/652009750.db2.gz AJCFADRXXWEYLL-CQSZACIVSA-N 1 0 382.917 2.205 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](C)CS(C)(=O)=O ZINC000655738828 652009941 /nfs/dbraw/zinc/00/99/41/652009941.db2.gz ZCAYSGIQDOVYOU-LLVKDONJSA-N 1 0 386.315 2.466 20 0 GEADRO CCc1nsc(N2CCCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)n1 ZINC000743067736 652012018 /nfs/dbraw/zinc/01/20/18/652012018.db2.gz XGSBVBMEYIXNNN-UHFFFAOYSA-N 1 0 384.619 2.075 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCc1cc(F)c(F)cc1Br)C(F)(F)F ZINC000655930228 652013375 /nfs/dbraw/zinc/01/33/75/652013375.db2.gz LKZHWRPRJWDXJE-SECBINFHSA-N 1 0 376.123 2.416 20 0 GEADRO COC[C@]1(CNS(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)CCC[NH2+]1 ZINC000655953185 652014954 /nfs/dbraw/zinc/01/49/54/652014954.db2.gz WCVKJEGUCJTMRV-QGZVFWFLSA-N 1 0 381.523 2.165 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000655958489 652015522 /nfs/dbraw/zinc/01/55/22/652015522.db2.gz HPUMORMENGNKOA-QMMMGPOBSA-N 1 0 377.672 2.303 20 0 GEADRO COC[C@@]1(CNC(=O)N2CCOc3cccc(Br)c3C2)CCC[NH2+]1 ZINC000655966892 652016299 /nfs/dbraw/zinc/01/62/99/652016299.db2.gz HJILLIMKGWDUER-KRWDZBQOSA-N 1 0 398.301 2.122 20 0 GEADRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cccc(I)c1 ZINC000574348662 652017600 /nfs/dbraw/zinc/01/76/00/652017600.db2.gz FHQNFYSEAHAWAG-ZDUSSCGKSA-N 1 0 379.263 2.348 20 0 GEADRO O=C(NCCCc1c(Cl)cccc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000656030495 652018975 /nfs/dbraw/zinc/01/89/75/652018975.db2.gz ULHOHVLULHITEV-LRDDRELGSA-N 1 0 384.307 2.253 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](O)c1ccccc1 ZINC000743553771 652022707 /nfs/dbraw/zinc/02/27/07/652022707.db2.gz NOYSIBIZEFZZER-HOCLYGCPSA-N 1 0 383.901 2.028 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC1CC[NH+](C(C)C)CC1 ZINC000743644752 652024302 /nfs/dbraw/zinc/02/43/02/652024302.db2.gz RFRCRWJRROQDSG-HNNXBMFYSA-N 1 0 388.965 2.167 20 0 GEADRO CSC[C@H](O)C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000574565629 652030312 /nfs/dbraw/zinc/03/03/12/652030312.db2.gz YUJDRZHUQVSZLN-CVEARBPZSA-N 1 0 378.460 2.392 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000574642846 652033771 /nfs/dbraw/zinc/03/37/71/652033771.db2.gz FOCYMAVLZUQVKB-CABCVRRESA-N 1 0 386.334 2.090 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000574687496 652036196 /nfs/dbraw/zinc/03/61/96/652036196.db2.gz FKFXJGZXANZGCV-CQSZACIVSA-N 1 0 378.274 2.065 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000656693022 652045918 /nfs/dbraw/zinc/04/59/18/652045918.db2.gz SNXWWBOOYFILSV-PXAZEXFGSA-N 1 0 388.295 2.462 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000656705797 652046798 /nfs/dbraw/zinc/04/67/98/652046798.db2.gz UJZNVHBXJPXVGI-OAHLLOKOSA-N 1 0 379.444 2.413 20 0 GEADRO O[C@@H](C[NH2+]CCO[C@@H]1CC1(F)F)COc1cc(F)cc(Br)c1 ZINC000656708671 652047193 /nfs/dbraw/zinc/04/71/93/652047193.db2.gz OWJPKMHZSKNHQG-WCQYABFASA-N 1 0 384.192 2.342 20 0 GEADRO O[C@@H](C[NH2+]CCO[C@H]1CC1(F)F)COc1cc(F)cc(Br)c1 ZINC000656708569 652047248 /nfs/dbraw/zinc/04/72/48/652047248.db2.gz OWJPKMHZSKNHQG-AAEUAGOBSA-N 1 0 384.192 2.342 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000574860402 652047284 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[NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)cc(Br)c3)C[C@@H]12 ZINC000575106632 652062358 /nfs/dbraw/zinc/06/23/58/652062358.db2.gz LTSZVHBALYPBOQ-BZHVJNSISA-N 1 0 386.677 2.237 20 0 GEADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000575173309 652066453 /nfs/dbraw/zinc/06/64/53/652066453.db2.gz HVAFQXJRRXEHPK-ONGXEEELSA-N 1 0 376.404 2.006 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000575180978 652067508 /nfs/dbraw/zinc/06/75/08/652067508.db2.gz JXTCXPVVISSQAI-UWVGGRQHSA-N 1 0 390.709 2.303 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)[C@H](C)C1 ZINC000575366121 652069498 /nfs/dbraw/zinc/06/94/98/652069498.db2.gz NTPFFKVNMRTIKU-UTJXIGIESA-N 1 0 396.329 2.402 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ncccc3Br)C2)CC1 ZINC000656945102 652071530 /nfs/dbraw/zinc/07/15/30/652071530.db2.gz WUPSTDFDNWMXSJ-ZDUSSCGKSA-N 1 0 388.331 2.197 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000619894282 652083295 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GEADRO C[C@@H](CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)[NH+](C)C ZINC000657091862 652111298 /nfs/dbraw/zinc/11/12/98/652111298.db2.gz QQVZVDXGKAKNHX-KBPBESRZSA-N 1 0 390.933 2.374 20 0 GEADRO CSc1ccc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)cc1Cl ZINC000657092285 652111884 /nfs/dbraw/zinc/11/18/84/652111884.db2.gz SKZLDKMLPIVXSH-UHFFFAOYSA-N 1 0 379.979 2.224 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1nc(N2CCCC2)sc1=S ZINC000746650091 652119869 /nfs/dbraw/zinc/11/98/69/652119869.db2.gz RIVMZAZHMRLPDQ-KFWWJZLASA-N 1 0 383.587 2.415 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1nc2ccccc2s1 ZINC000576579199 652128711 /nfs/dbraw/zinc/12/87/11/652128711.db2.gz ASYOMSLYOIPKCY-UHFFFAOYSA-N 1 0 381.523 2.220 20 0 GEADRO CC(C)[C@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC[NH2+]1 ZINC000621152262 652133181 /nfs/dbraw/zinc/13/31/81/652133181.db2.gz SQUOEBATNHBZKQ-UKRRQHHQSA-N 1 0 394.313 2.258 20 0 GEADRO CC(C)[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC[NH2+]1 ZINC000621151697 652133239 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GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3c(cc2Br)OCO3)C[C@H](C)O1 ZINC000621385638 652152840 /nfs/dbraw/zinc/15/28/40/652152840.db2.gz PARYJNBUJNFBEX-TXEJJXNPSA-N 1 0 399.285 2.407 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC([NH3+])CC1 ZINC000621465388 652157261 /nfs/dbraw/zinc/15/72/61/652157261.db2.gz NWYMEOODIXFEAE-HNNXBMFYSA-N 1 0 382.302 2.153 20 0 GEADRO O=C(NCCn1cc(Br)ccc1=O)Nc1cccc2c1CC[NH2+]C2 ZINC000576961415 652158822 /nfs/dbraw/zinc/15/88/22/652158822.db2.gz PZXPUFPOCOEORR-UHFFFAOYSA-N 1 0 391.269 2.078 20 0 GEADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)NCC1=CC[NH2+]CC1 ZINC000576965556 652159760 /nfs/dbraw/zinc/15/97/60/652159760.db2.gz KKSXDLMCCSIESJ-UHFFFAOYSA-N 1 0 390.285 2.354 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000576990122 652160986 /nfs/dbraw/zinc/16/09/86/652160986.db2.gz PFBXBWKFJVAKQJ-JTQLQIEISA-N 1 0 380.539 2.362 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000657333393 652161054 /nfs/dbraw/zinc/16/10/54/652161054.db2.gz HNUIJFCABADCQV-UHFFFAOYSA-N 1 0 384.299 2.221 20 0 GEADRO Cc1c(Br)cncc1C[NH2+][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000657431097 652164032 /nfs/dbraw/zinc/16/40/32/652164032.db2.gz DQGXZVAELQPCLX-HNNXBMFYSA-N 1 0 392.301 2.167 20 0 GEADRO Cn1ncc(C2CCC2)c1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000657414658 652164130 /nfs/dbraw/zinc/16/41/30/652164130.db2.gz SLVOUMPTTUBYIH-UHFFFAOYSA-N 1 0 388.946 2.471 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657434273 652165231 /nfs/dbraw/zinc/16/52/31/652165231.db2.gz BSCCDWORLWLGAN-UHFFFAOYSA-N 1 0 394.310 2.135 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1ccc(Br)cc1-n1cnnn1)C1CCCCC1 ZINC000621623054 652165914 /nfs/dbraw/zinc/16/59/14/652165914.db2.gz UGWSBKCNIVHVQE-CQSZACIVSA-N 1 0 393.289 2.062 20 0 GEADRO O=c1oc2cc(Br)ccc2n1CN1CC[NH+](C2CCOCC2)CC1 ZINC000747472460 652166252 /nfs/dbraw/zinc/16/62/52/652166252.db2.gz YKIFHKMPBRCRST-UHFFFAOYSA-N 1 0 396.285 2.111 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CCCO1 ZINC000621851123 652168558 /nfs/dbraw/zinc/16/85/58/652168558.db2.gz MAYJYGZYYRIDMH-ZDUSSCGKSA-N 1 0 392.244 2.300 20 0 GEADRO O=C(NC[C@@H]1CC1(Cl)Cl)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000747576121 652169180 /nfs/dbraw/zinc/16/91/80/652169180.db2.gz ZIAUYFITXVQNCQ-OWCLPIDISA-N 1 0 386.323 2.362 20 0 GEADRO O=C(Nc1cccc(Br)c1F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000657535272 652171290 /nfs/dbraw/zinc/17/12/90/652171290.db2.gz LGWNOIDMLPMJJK-YPMHNXCESA-N 1 0 384.249 2.270 20 0 GEADRO COc1cc(C)c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c(C)n1 ZINC000657564324 652173486 /nfs/dbraw/zinc/17/34/86/652173486.db2.gz RCLBFNTZJNICQF-UHFFFAOYSA-N 1 0 393.285 2.384 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657577983 652174976 /nfs/dbraw/zinc/17/49/76/652174976.db2.gz IBXCJERICWRDGB-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622015155 652175831 /nfs/dbraw/zinc/17/58/31/652175831.db2.gz RFWWQYRUTHNYNX-OGHNNQOOSA-N 1 0 388.917 2.256 20 0 GEADRO OCCO[C@@]1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCOC1 ZINC000657595637 652177640 /nfs/dbraw/zinc/17/76/40/652177640.db2.gz BITJTWCJIQWXOB-QGZVFWFLSA-N 1 0 396.285 2.097 20 0 GEADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000657620086 652180592 /nfs/dbraw/zinc/18/05/92/652180592.db2.gz CSDWRGCYIPOAJX-NSHDSACASA-N 1 0 384.249 2.223 20 0 GEADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000747843215 652181146 /nfs/dbraw/zinc/18/11/46/652181146.db2.gz NVPWUBVSYOJZSX-BSEYFRJRSA-N 1 0 380.535 2.307 20 0 GEADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CS1(=O)=O ZINC000657634644 652182048 /nfs/dbraw/zinc/18/20/48/652182048.db2.gz JXVZWBQHRDMENQ-MWLCHTKSSA-N 1 0 376.272 2.233 20 0 GEADRO C[C@H]1CC[C@@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)CS1(=O)=O ZINC000657636770 652182855 /nfs/dbraw/zinc/18/28/55/652182855.db2.gz IQKFHTAMGJRXIV-LSDHHAIUSA-N 1 0 385.961 2.147 20 0 GEADRO C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CS1(=O)=O ZINC000657639252 652183567 /nfs/dbraw/zinc/18/35/67/652183567.db2.gz ROEHCMCWPONDJA-JQWIXIFHSA-N 1 0 390.299 2.276 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000657641721 652184443 /nfs/dbraw/zinc/18/44/43/652184443.db2.gz KQPSNIBHEQNKIU-SECBINFHSA-N 1 0 390.228 2.076 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F)[N@H+](C)C1CC1 ZINC000657651747 652186061 /nfs/dbraw/zinc/18/60/61/652186061.db2.gz NCCMLXOLRGYWOK-MRVPVSSYSA-N 1 0 390.228 2.265 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F)C1CC1 ZINC000657650255 652186071 /nfs/dbraw/zinc/18/60/71/652186071.db2.gz HEJHXSKGIDQMAA-LLVKDONJSA-N 1 0 390.228 2.122 20 0 GEADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000577432806 652186783 /nfs/dbraw/zinc/18/67/83/652186783.db2.gz SQGSFTKQMMIWHQ-LBPRGKRZSA-N 1 0 398.301 2.019 20 0 GEADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000657665088 652187920 /nfs/dbraw/zinc/18/79/20/652187920.db2.gz DDNCUYBDEXAUNH-GFCCVEGCSA-N 1 0 398.276 2.471 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(I)cc1 ZINC000577492618 652192433 /nfs/dbraw/zinc/19/24/33/652192433.db2.gz GZVMIZWMXRJJIL-AWEZNQCLSA-N 1 0 387.265 2.304 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@]12CCC(=O)N1CCS2 ZINC000622576348 652196512 /nfs/dbraw/zinc/19/65/12/652196512.db2.gz BPUREWZILPQQSU-KBXCAEBGSA-N 1 0 379.551 2.142 20 0 GEADRO O=c1ccn(C[N@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)c2c(Br)cccc12 ZINC000748262387 652197464 /nfs/dbraw/zinc/19/74/64/652197464.db2.gz OYMPQMPWQKUQRU-NEPJUHHUSA-N 1 0 376.254 2.074 20 0 GEADRO C[N@H+](CCO)C1CCN(C(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000577574888 652198062 /nfs/dbraw/zinc/19/80/62/652198062.db2.gz UCXOZBIVLXNIGG-UHFFFAOYSA-N 1 0 397.313 2.303 20 0 GEADRO C[NH+](C)CC1(CNC(=O)Nc2nc3cc(Br)ccn3n2)CCCC1 ZINC000577582208 652198611 /nfs/dbraw/zinc/19/86/11/652198611.db2.gz BJSMEYMAPJONGV-UHFFFAOYSA-N 1 0 395.305 2.735 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000577609916 652201431 /nfs/dbraw/zinc/20/14/31/652201431.db2.gz SLXHTBPSJINPRA-RYUDHWBXSA-N 1 0 389.905 2.103 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000657758398 652201443 /nfs/dbraw/zinc/20/14/43/652201443.db2.gz BQECDYHYSQNGSQ-UHFFFAOYSA-N 1 0 386.315 2.462 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000577631320 652203283 /nfs/dbraw/zinc/20/32/83/652203283.db2.gz OWIVOWJYXOSFGQ-HNNXBMFYSA-N 1 0 382.302 2.170 20 0 GEADRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000657786162 652206096 /nfs/dbraw/zinc/20/60/96/652206096.db2.gz LUZVLMPPWFQOBD-NSHDSACASA-N 1 0 377.304 2.001 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000657835707 652209748 /nfs/dbraw/zinc/20/97/48/652209748.db2.gz HLBXQDODTNTRLF-UHFFFAOYSA-N 1 0 393.285 2.440 20 0 GEADRO CC(C)[NH+](CCNC(=O)c1ccc(Br)cc1-n1cnnn1)C(C)C ZINC000623016533 652214202 /nfs/dbraw/zinc/21/42/02/652214202.db2.gz ZHAYMEJCUSGMEO-UHFFFAOYSA-N 1 0 395.305 2.273 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623023555 652217391 /nfs/dbraw/zinc/21/73/91/652217391.db2.gz NENKLMKTIOXLPI-ZDUSSCGKSA-N 1 0 393.289 2.027 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623026272 652217913 /nfs/dbraw/zinc/21/79/13/652217913.db2.gz DHJDPZAADHCPLA-ZDUSSCGKSA-N 1 0 393.289 2.029 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000623028734 652217998 /nfs/dbraw/zinc/21/79/98/652217998.db2.gz VZEJDRFKGFMASY-KBPBESRZSA-N 1 0 397.269 2.113 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c2ncccc12)C[NH+](C)C ZINC000657968607 652222560 /nfs/dbraw/zinc/22/25/60/652222560.db2.gz YYKPCFMLTMQSFZ-LLVKDONJSA-N 1 0 393.285 2.250 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)Cn3cncn3)C2=O)ccc1Br ZINC000657980985 652224666 /nfs/dbraw/zinc/22/46/66/652224666.db2.gz UJNPRQZUPKJBGK-WFASDCNBSA-N 1 0 378.274 2.133 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000658019808 652231463 /nfs/dbraw/zinc/23/14/63/652231463.db2.gz UWLKQPHWVIWJAO-UHFFFAOYSA-N 1 0 394.313 2.284 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1Cc2ccccc2N(C)C1=O ZINC000658106464 652237040 /nfs/dbraw/zinc/23/70/40/652237040.db2.gz LRBFDDBOWLOSLO-DOMZBBRYSA-N 1 0 390.281 2.177 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2)n1 ZINC000658114406 652237372 /nfs/dbraw/zinc/23/73/72/652237372.db2.gz NUQMWJGKGJMAIU-UHFFFAOYSA-N 1 0 384.267 2.006 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1Br ZINC000658126846 652237894 /nfs/dbraw/zinc/23/78/94/652237894.db2.gz PHDHSCHFSNNJNR-LBPRGKRZSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658149396 652239875 /nfs/dbraw/zinc/23/98/75/652239875.db2.gz SWXBPSADVVOLCC-LRDDRELGSA-N 1 0 376.266 2.277 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc(I)c(C)c1 ZINC000578064604 652239940 /nfs/dbraw/zinc/23/99/40/652239940.db2.gz MPWMTSGPDVTWNR-ZDUSSCGKSA-N 1 0 391.249 2.393 20 0 GEADRO Fc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000623651149 652251938 /nfs/dbraw/zinc/25/19/38/652251938.db2.gz DZLNURHMIXHKQK-CQSZACIVSA-N 1 0 391.248 2.394 20 0 GEADRO Fc1ccc(Br)c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000623652821 652252033 /nfs/dbraw/zinc/25/20/33/652252033.db2.gz QGSVHGHYSCDDTI-ZDUSSCGKSA-N 1 0 391.248 2.394 20 0 GEADRO CC(C)[NH2+]C1CCN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000578199977 652252421 /nfs/dbraw/zinc/25/24/21/652252421.db2.gz PWFJDADHQXGDPX-UHFFFAOYSA-N 1 0 394.310 2.202 20 0 GEADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578226601 652254546 /nfs/dbraw/zinc/25/45/46/652254546.db2.gz HMAIOLVSCVGZGI-UHFFFAOYSA-N 1 0 387.311 2.345 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658353117 652255220 /nfs/dbraw/zinc/25/52/20/652255220.db2.gz BUJSJJWHFOQLGS-LLVKDONJSA-N 1 0 375.803 2.433 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1COCCN1C ZINC000623713844 652256195 /nfs/dbraw/zinc/25/61/95/652256195.db2.gz KOZHEHBRCYNEJD-OAHLLOKOSA-N 1 0 379.302 2.363 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000658369124 652257798 /nfs/dbraw/zinc/25/77/98/652257798.db2.gz UOGOEXAKNGFGAD-JOYOIKCWSA-N 1 0 395.294 2.345 20 0 GEADRO Brc1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)nc1 ZINC000623781412 652259980 /nfs/dbraw/zinc/25/99/80/652259980.db2.gz PQRSCNVQAIQLMN-KRWDZBQOSA-N 1 0 377.286 2.230 20 0 GEADRO CCCNC(=O)CSc1nn(CN2CC[NH+](C3CC3)CC2)c(=S)s1 ZINC000749676822 652261235 /nfs/dbraw/zinc/26/12/35/652261235.db2.gz YBKNNGBXQQIEOM-UHFFFAOYSA-N 1 0 387.600 2.030 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000658380331 652261207 /nfs/dbraw/zinc/26/12/07/652261207.db2.gz ODDDMUZUNLBLJQ-YGRLFVJLSA-N 1 0 377.279 2.102 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CCc2ccccc2)c(C)s1 ZINC000578315934 652261161 /nfs/dbraw/zinc/26/11/61/652261161.db2.gz GOFNKSLOBBKKCB-KRWDZBQOSA-N 1 0 382.551 2.227 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000658381947 652261717 /nfs/dbraw/zinc/26/17/17/652261717.db2.gz QZAOWWCZGWMVPN-UHFFFAOYSA-N 1 0 389.924 2.115 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Cl ZINC000658382519 652261896 /nfs/dbraw/zinc/26/18/96/652261896.db2.gz OAEJOWZTBHAWNZ-RDJZCZTQSA-N 1 0 388.917 2.256 20 0 GEADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)s1 ZINC000658405895 652266465 /nfs/dbraw/zinc/26/64/65/652266465.db2.gz AAWPCAADPLARTD-OAHLLOKOSA-N 1 0 389.587 2.105 20 0 GEADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000658412520 652268011 /nfs/dbraw/zinc/26/80/11/652268011.db2.gz XZYMUZDLKPAZKQ-OCCSQVGLSA-N 1 0 376.906 2.174 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br)[NH+](C)C ZINC000658426370 652269623 /nfs/dbraw/zinc/26/96/23/652269623.db2.gz WZSYOHZAXSUEFA-SECBINFHSA-N 1 0 376.682 2.497 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br)[NH+](C)C ZINC000658426372 652269783 /nfs/dbraw/zinc/26/97/83/652269783.db2.gz WZSYOHZAXSUEFA-VIFPVBQESA-N 1 0 376.682 2.497 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[NH+](C)C ZINC000658427121 652270231 /nfs/dbraw/zinc/27/02/31/652270231.db2.gz IBPABWDISBHSGP-SECBINFHSA-N 1 0 376.682 2.497 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cncc(Br)c1 ZINC000624116949 652271419 /nfs/dbraw/zinc/27/14/19/652271419.db2.gz CCMJVJYTIVHZIX-SMDDNHRTSA-N 1 0 388.273 2.211 20 0 GEADRO C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCC1)C(=O)NCC[NH+](C)C ZINC000578430531 652271556 /nfs/dbraw/zinc/27/15/56/652271556.db2.gz ASPLLTMQWIVBPY-ZDUSSCGKSA-N 1 0 396.329 2.053 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000624133530 652272482 /nfs/dbraw/zinc/27/24/82/652272482.db2.gz PWOIRBBRXXDCGE-UHFFFAOYSA-N 1 0 378.274 2.401 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cncc(Br)c1 ZINC000624138191 652273010 /nfs/dbraw/zinc/27/30/10/652273010.db2.gz DZTDANHCNILXHQ-LERXQTSPSA-N 1 0 376.320 2.355 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc2ccc(Br)cc2[nH]1 ZINC000578464353 652275352 /nfs/dbraw/zinc/27/53/52/652275352.db2.gz PLGQCTMEPJAWCU-KRWDZBQOSA-N 1 0 378.270 2.117 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)cc1F)[C@@H]1CC[N@H+](CC)C1 ZINC000658464711 652276256 /nfs/dbraw/zinc/27/62/56/652276256.db2.gz SQGXZKCIXMABNZ-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO CCN(C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1)[C@H]1CC[N@H+](CC)C1 ZINC000658467424 652276809 /nfs/dbraw/zinc/27/68/09/652276809.db2.gz LUHSCAKXKWLENF-NSHDSACASA-N 1 0 378.420 2.129 20 0 GEADRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624223663 652277165 /nfs/dbraw/zinc/27/71/65/652277165.db2.gz ZZYUAQCLMDRPFO-MRCXROJRSA-N 1 0 389.315 2.315 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658474245 652278580 /nfs/dbraw/zinc/27/85/80/652278580.db2.gz IYWRJGYLNOOYPP-UHFFFAOYSA-N 1 0 396.329 2.206 20 0 GEADRO Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](CCCCO)CC2)ccc1Br ZINC000750052435 652280355 /nfs/dbraw/zinc/28/03/55/652280355.db2.gz BDJWBPLGTANNCR-OAHLLOKOSA-N 1 0 398.345 2.475 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3Br)C[C@@H]12 ZINC000578606671 652281914 /nfs/dbraw/zinc/28/19/14/652281914.db2.gz FOQDUPGLMHIUPD-FXPVBKGRSA-N 1 0 386.677 2.237 20 0 GEADRO CC(C)(CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000578608636 652282476 /nfs/dbraw/zinc/28/24/76/652282476.db2.gz BLHBQEBHTCZTNG-UHFFFAOYSA-N 1 0 387.311 2.002 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000624376067 652284671 /nfs/dbraw/zinc/28/46/71/652284671.db2.gz HIKJRQNDCCPWGN-HZMBPMFUSA-N 1 0 377.279 2.399 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1CC[NH2+]C12CCC2 ZINC000624379495 652285087 /nfs/dbraw/zinc/28/50/87/652285087.db2.gz SWWTUIRQILNAFG-CYBMUJFWSA-N 1 0 377.279 2.292 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000578650621 652285488 /nfs/dbraw/zinc/28/54/88/652285488.db2.gz AKEDQFKGLRDSID-MNOVXSKESA-N 1 0 377.869 2.233 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000658539990 652286007 /nfs/dbraw/zinc/28/60/07/652286007.db2.gz KYIHMCCOVPPZTB-UHFFFAOYSA-N 1 0 392.656 2.200 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624390600 652286427 /nfs/dbraw/zinc/28/64/27/652286427.db2.gz DXFTUZSZYXTOKC-MWLCHTKSSA-N 1 0 386.823 2.496 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624390420 652286701 /nfs/dbraw/zinc/28/67/01/652286701.db2.gz BPNBQXXWDBSBRH-ONGXEEELSA-N 1 0 386.823 2.496 20 0 GEADRO COCCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000624391423 652288322 /nfs/dbraw/zinc/28/83/22/652288322.db2.gz XDNVWMDKVNUIPZ-HIFRSBDPSA-N 1 0 380.432 2.023 20 0 GEADRO Cn1c2ccccc2cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624392140 652288906 /nfs/dbraw/zinc/28/89/06/652288906.db2.gz JVKPPFJNQFEQTB-OLZOCXBDSA-N 1 0 375.416 2.326 20 0 GEADRO COc1c(C)cc(C)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624392089 652289032 /nfs/dbraw/zinc/28/90/32/652289032.db2.gz JBAQZOPMVVQLLR-QWHCGFSZSA-N 1 0 380.432 2.460 20 0 GEADRO COCc1ccccc1CS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624392626 652289502 /nfs/dbraw/zinc/28/95/02/652289502.db2.gz VTWBOWCRFGFEBM-CABCVRRESA-N 1 0 380.432 2.122 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000624406508 652291630 /nfs/dbraw/zinc/29/16/30/652291630.db2.gz DSFSIEXXTHAKRW-ZYHUDNBSSA-N 1 0 377.304 2.267 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(F)c(Br)cc1F)C2 ZINC000624412257 652292419 /nfs/dbraw/zinc/29/24/19/652292419.db2.gz QPBDULWWJDTRMR-OKILXGFUSA-N 1 0 395.269 2.347 20 0 GEADRO O=C(Nc1cncc(Br)c1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658649134 652298938 /nfs/dbraw/zinc/29/89/38/652298938.db2.gz JMRUJDFCUATEFA-ZDUSSCGKSA-N 1 0 395.301 2.306 20 0 GEADRO C[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[NH+](C)C ZINC000750604353 652300004 /nfs/dbraw/zinc/30/00/04/652300004.db2.gz SXLSVVFIEZJVMY-HKLRHMNMSA-N 1 0 381.885 2.443 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CC[C@H](F)C1 ZINC000578881681 652301468 /nfs/dbraw/zinc/30/14/68/652301468.db2.gz YGKNYVZNLNDZAD-UONOGXRCSA-N 1 0 377.503 2.124 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000578881682 652301511 /nfs/dbraw/zinc/30/15/11/652301511.db2.gz YGKNYVZNLNDZAD-ZIAGYGMSSA-N 1 0 377.503 2.124 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579005838 652310884 /nfs/dbraw/zinc/31/08/84/652310884.db2.gz ROORLQGYSNIWMF-KGLIPLIRSA-N 1 0 397.313 2.430 20 0 GEADRO CS(=O)(=O)Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000579022953 652312118 /nfs/dbraw/zinc/31/21/18/652312118.db2.gz GDDQODJFXVKBHB-KRWDZBQOSA-N 1 0 382.551 2.387 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000658777202 652312242 /nfs/dbraw/zinc/31/22/42/652312242.db2.gz FQMIGSDDORIGOS-JTQLQIEISA-N 1 0 390.228 2.266 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000658778714 652313067 /nfs/dbraw/zinc/31/30/67/652313067.db2.gz OYIBHVUTURRLQQ-SECBINFHSA-N 1 0 390.228 2.266 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000658777936 652313112 /nfs/dbraw/zinc/31/31/12/652313112.db2.gz JZIDBARIYNXPMH-CQSZACIVSA-N 1 0 394.313 2.477 20 0 GEADRO O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658801247 652314864 /nfs/dbraw/zinc/31/48/64/652314864.db2.gz GYFSMVZZPBSQIE-HNNXBMFYSA-N 1 0 386.279 2.301 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccnc1OCC(F)F ZINC000624971698 652316654 /nfs/dbraw/zinc/31/66/54/652316654.db2.gz SOIKTGIPKKNDOQ-CYBMUJFWSA-N 1 0 377.457 2.268 20 0 GEADRO COC1CC[NH+](CCNC(=O)NCc2ccc(Br)cc2F)CC1 ZINC000751099006 652323659 /nfs/dbraw/zinc/32/36/59/652323659.db2.gz UMANEKFJTSWTOH-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000579221708 652326149 /nfs/dbraw/zinc/32/61/49/652326149.db2.gz PPPPFWJJUBWAML-UKRRQHHQSA-N 1 0 385.302 2.317 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000658893723 652327061 /nfs/dbraw/zinc/32/70/61/652327061.db2.gz WMOGXUVEYSXHGM-INIZCTEOSA-N 1 0 394.313 2.277 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000625161391 652327339 /nfs/dbraw/zinc/32/73/39/652327339.db2.gz USQPRGQGMWFXSQ-PHIMTYICSA-N 1 0 377.279 2.079 20 0 GEADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCCOc3c(Br)cccc32)C1 ZINC000579239293 652327971 /nfs/dbraw/zinc/32/79/71/652327971.db2.gz PTQGXVCIAUKPAS-FZMZJTMJSA-N 1 0 389.315 2.286 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(Cc3cc(Br)cc(C(F)(F)F)c3)CCN2C1=O ZINC000579259031 652329191 /nfs/dbraw/zinc/32/91/91/652329191.db2.gz IEIVADZFPDPIBS-QWHCGFSZSA-N 1 0 392.219 2.212 20 0 GEADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@H]1C[NH3+] ZINC000579342197 652332616 /nfs/dbraw/zinc/33/26/16/652332616.db2.gz WNGGBOBNCGPXTJ-NTZNESFSSA-N 1 0 385.917 2.219 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000579371361 652334177 /nfs/dbraw/zinc/33/41/77/652334177.db2.gz LSIXYLCLGHENNL-UHFFFAOYSA-N 1 0 385.295 2.386 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658961984 652334338 /nfs/dbraw/zinc/33/43/38/652334338.db2.gz FFYMDFFGLNXXQY-OAHLLOKOSA-N 1 0 384.929 2.352 20 0 GEADRO C[C@@H]1CCN(C(=O)c2ncc(Br)cc2Br)C[C@@H]1[NH3+] ZINC000658971031 652334926 /nfs/dbraw/zinc/33/49/26/652334926.db2.gz WVVMBDXQTAJTNH-XCBNKYQSSA-N 1 0 377.080 2.416 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CS1(=O)=O ZINC000659022260 652337325 /nfs/dbraw/zinc/33/73/25/652337325.db2.gz QEXWQSMTIYVKGI-CABZTGNLSA-N 1 0 379.404 2.251 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000659025023 652338057 /nfs/dbraw/zinc/33/80/57/652338057.db2.gz MJCNIXLQYXKHHO-VXGBXAGGSA-N 1 0 396.207 2.422 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000579465149 652339488 /nfs/dbraw/zinc/33/94/88/652339488.db2.gz MIGMNRUAHITILI-OAHLLOKOSA-N 1 0 387.860 2.282 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659078944 652340393 /nfs/dbraw/zinc/34/03/93/652340393.db2.gz WHSDNFNIIPMQDV-RKDXNWHRSA-N 1 0 390.228 2.252 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000659078188 652340444 /nfs/dbraw/zinc/34/04/44/652340444.db2.gz MGEPMKLGIUNHOP-SNVBAGLBSA-N 1 0 388.693 2.465 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000659082348 652341017 /nfs/dbraw/zinc/34/10/17/652341017.db2.gz MDLFGOKLZSUAKX-NEPJUHHUSA-N 1 0 394.313 2.269 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000659079970 652341096 /nfs/dbraw/zinc/34/10/96/652341096.db2.gz AGQGFHLUPQGZGI-UHFFFAOYSA-N 1 0 376.682 2.465 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C[C@@H]1C[NH3+] ZINC000659086682 652342199 /nfs/dbraw/zinc/34/21/99/652342199.db2.gz AYZPFFRLNMNTHQ-IUCAKERBSA-N 1 0 390.228 2.109 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000659093414 652343123 /nfs/dbraw/zinc/34/31/23/652343123.db2.gz QLLWYMJYMRRWLW-UHFFFAOYSA-N 1 0 386.290 2.371 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCCC1 ZINC000659098252 652343373 /nfs/dbraw/zinc/34/33/73/652343373.db2.gz IPFRFTDCHXBSMC-UHFFFAOYSA-N 1 0 376.201 2.054 20 0 GEADRO C[C@@H](CNC(=O)NCCn1cc(Br)ccc1=O)[NH+]1CCC(C)CC1 ZINC000579558504 652343680 /nfs/dbraw/zinc/34/36/80/652343680.db2.gz KVFQODVROPYUNU-AWEZNQCLSA-N 1 0 399.333 2.030 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000625332124 652343755 /nfs/dbraw/zinc/34/37/55/652343755.db2.gz GJFMGGPQESXQNA-UKRRQHHQSA-N 1 0 376.258 2.241 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000579572356 652344758 /nfs/dbraw/zinc/34/47/58/652344758.db2.gz AOSITDYSWIJBED-ZYHUDNBSSA-N 1 0 378.274 2.219 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625338059 652344853 /nfs/dbraw/zinc/34/48/53/652344853.db2.gz XCPVNKUIIDNGHY-UOAMXJAYSA-N 1 0 392.341 2.087 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000659114232 652345041 /nfs/dbraw/zinc/34/50/41/652345041.db2.gz UDKFBHROTFXMBJ-VIFPVBQESA-N 1 0 384.267 2.150 20 0 GEADRO C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000579582114 652345037 /nfs/dbraw/zinc/34/50/37/652345037.db2.gz LDWKHBCBIPAHAY-BYCMXARLSA-N 1 0 392.265 2.112 20 0 GEADRO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000579582115 652345165 /nfs/dbraw/zinc/34/51/65/652345165.db2.gz LDWKHBCBIPAHAY-DFBGVHRSSA-N 1 0 392.265 2.112 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000659251574 652350627 /nfs/dbraw/zinc/35/06/27/652350627.db2.gz YCQOFNMNASQMIJ-YOEHRIQHSA-N 1 0 398.345 2.407 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000579743287 652352402 /nfs/dbraw/zinc/35/24/02/652352402.db2.gz MIAJZDNRRWSNIP-HUUCEWRRSA-N 1 0 388.917 2.451 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659358087 652354984 /nfs/dbraw/zinc/35/49/84/652354984.db2.gz OTNIHPJSPBHYBW-AWEZNQCLSA-N 1 0 384.343 2.193 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2cnn3cc(Br)cnc23)[C@@H]1CCC[NH3+] ZINC000659375982 652355515 /nfs/dbraw/zinc/35/55/15/652355515.db2.gz IYUNXSPMTSJMRW-BXUZGUMPSA-N 1 0 380.290 2.471 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000659383436 652355983 /nfs/dbraw/zinc/35/59/83/652355983.db2.gz RAAUIUJTHQMMCI-AWEZNQCLSA-N 1 0 380.290 2.141 20 0 GEADRO O=C(CC1CCCC1)NCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000579827725 652356311 /nfs/dbraw/zinc/35/63/11/652356311.db2.gz VAGJZTUFDSPPMY-INIZCTEOSA-N 1 0 399.329 2.475 20 0 GEADRO COC(=O)c1nscc1S(=O)(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751490779 652357101 /nfs/dbraw/zinc/35/71/01/652357101.db2.gz HOBSKSDRHGIXFY-UHFFFAOYSA-N 1 0 387.527 2.005 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000579850094 652358056 /nfs/dbraw/zinc/35/80/56/652358056.db2.gz MVBPSQXNNSMGDV-NWDGAFQWSA-N 1 0 375.252 2.468 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000659469159 652358867 /nfs/dbraw/zinc/35/88/67/652358867.db2.gz HOLYTHISJHFSNB-NXEZZACHSA-N 1 0 382.262 2.467 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659538690 652360251 /nfs/dbraw/zinc/36/02/51/652360251.db2.gz WPWQKYXFFJZBDF-CJNGLKHVSA-N 1 0 381.318 2.279 20 0 GEADRO C[NH+](C)CC1CCN(Cn2nc(Br)nc2Br)CC1 ZINC000751591816 652360500 /nfs/dbraw/zinc/36/05/00/652360500.db2.gz AGNOGFYRCUTRRR-UHFFFAOYSA-N 1 0 381.116 2.034 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000659555669 652360448 /nfs/dbraw/zinc/36/04/48/652360448.db2.gz SJZCLMMYLHFHHY-ZFWWWQNUSA-N 1 0 381.318 2.408 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000659555667 652360532 /nfs/dbraw/zinc/36/05/32/652360532.db2.gz SJZCLMMYLHFHHY-HIFRSBDPSA-N 1 0 381.318 2.408 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc(-c2ccc(Cl)cc2)nn1CCO ZINC000579946466 652360537 /nfs/dbraw/zinc/36/05/37/652360537.db2.gz MZIKSIKTFSIJFE-AWEZNQCLSA-N 1 0 380.901 2.229 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000659623947 652361614 /nfs/dbraw/zinc/36/16/14/652361614.db2.gz HPEXDYBJCSIEBT-CVEARBPZSA-N 1 0 383.334 2.055 20 0 GEADRO C[C@@H]([NH2+]CC[C@H]1CCNC1=O)c1ccc(Br)cc1OCCCO ZINC000579969820 652361930 /nfs/dbraw/zinc/36/19/30/652361930.db2.gz QMKLVFZIYYVCMH-OLZOCXBDSA-N 1 0 385.302 2.387 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630209 652362081 /nfs/dbraw/zinc/36/20/81/652362081.db2.gz GPZRJLFVXUMZNZ-JTQLQIEISA-N 1 0 394.273 2.306 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000659641745 652362416 /nfs/dbraw/zinc/36/24/16/652362416.db2.gz RXEKLAXOFSGYHC-SNVBAGLBSA-N 1 0 379.814 2.193 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000659689783 652363346 /nfs/dbraw/zinc/36/33/46/652363346.db2.gz ILNPVUMQCQMYEG-ZDUSSCGKSA-N 1 0 396.329 2.101 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)c1cc(F)cc(Br)c1 ZINC000659708661 652363707 /nfs/dbraw/zinc/36/37/07/652363707.db2.gz VXCYMBMQXREGLZ-FBUIMKQZSA-N 1 0 398.276 2.105 20 0 GEADRO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659710271 652363734 /nfs/dbraw/zinc/36/37/34/652363734.db2.gz REPYJJZQLKLOEK-SNVBAGLBSA-N 1 0 377.329 2.024 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000659707109 652363845 /nfs/dbraw/zinc/36/38/45/652363845.db2.gz ABIQOONBGVTMNK-UHFFFAOYSA-N 1 0 398.237 2.407 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C2 ZINC000659716532 652364123 /nfs/dbraw/zinc/36/41/23/652364123.db2.gz AQFYOUIERUJWPK-SWLSCSKDSA-N 1 0 394.313 2.233 20 0 GEADRO CC1(CNC(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC[NH2+]CC1 ZINC000659721327 652364205 /nfs/dbraw/zinc/36/42/05/652364205.db2.gz ZXWSNBYPBWECDP-UHFFFAOYSA-N 1 0 384.307 2.384 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC000659723883 652364459 /nfs/dbraw/zinc/36/44/59/652364459.db2.gz RUFLTCDJRLBYOA-CYBMUJFWSA-N 1 0 382.302 2.233 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000659749910 652364800 /nfs/dbraw/zinc/36/48/00/652364800.db2.gz COTSPZQUDHBWIE-WFASDCNBSA-N 1 0 382.302 2.145 20 0 GEADRO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000580047736 652364959 /nfs/dbraw/zinc/36/49/59/652364959.db2.gz RDQJRCHDTYBDMA-GXTWGEPZSA-N 1 0 385.295 2.492 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cc4c(cc3Br)OCCO4)C[C@@H]21 ZINC000580063494 652365540 /nfs/dbraw/zinc/36/55/40/652365540.db2.gz FIAXKEDQNPLYOC-CORIIIEPSA-N 1 0 395.297 2.349 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCN2CCC(NS(=O)(=O)c3cccs3)CC2)C1 ZINC000659817743 652366212 /nfs/dbraw/zinc/36/62/12/652366212.db2.gz GWOXDENQFJARCN-HOTGVXAUSA-N 1 0 385.599 2.469 20 0 GEADRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000580091173 652366645 /nfs/dbraw/zinc/36/66/45/652366645.db2.gz SACMVBMLOGSXTA-LBPRGKRZSA-N 1 0 388.269 2.180 20 0 GEADRO C[C@H]1C[NH+](CCN2CCN(c3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000659825627 652367216 /nfs/dbraw/zinc/36/72/16/652367216.db2.gz CPGLBSSDXBDDHL-GJZGRUSLSA-N 1 0 383.334 2.075 20 0 GEADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3ccc(Br)cn3)[C@H]2C1 ZINC000580121241 652367711 /nfs/dbraw/zinc/36/77/11/652367711.db2.gz MQXKNEXRBNYLED-AEGPPILISA-N 1 0 395.301 2.019 20 0 GEADRO C[NH+]1CCN(C[C@H](NC(=O)C[C@H]2CSCCS2)c2ccccc2)CC1 ZINC000751856474 652369582 /nfs/dbraw/zinc/36/95/82/652369582.db2.gz RFHDHKMORQJQJO-ROUUACIJSA-N 1 0 379.595 2.330 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580194574 652369930 /nfs/dbraw/zinc/36/99/30/652369930.db2.gz UKNJVYUDIBOJTH-OLZOCXBDSA-N 1 0 386.901 2.137 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580194573 652369942 /nfs/dbraw/zinc/36/99/42/652369942.db2.gz UKNJVYUDIBOJTH-CHWSQXEVSA-N 1 0 386.901 2.137 20 0 GEADRO CC(C)O[C@]1(CS(=O)(=O)NCCCCC[NH+]2CCCCC2)CCOC1 ZINC000659906443 652370831 /nfs/dbraw/zinc/37/08/31/652370831.db2.gz KHUMYUDSPXNPCI-GOSISDBHSA-N 1 0 376.563 2.146 20 0 GEADRO CC(C)COC[C@@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794010 652370983 /nfs/dbraw/zinc/37/09/83/652370983.db2.gz BSFRVPYWYAKIOF-ZWKOTPCHSA-N 1 0 386.330 2.292 20 0 GEADRO COc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nn1 ZINC000625797826 652372331 /nfs/dbraw/zinc/37/23/31/652372331.db2.gz ZZNVYNBZEMEGNF-QGZVFWFLSA-N 1 0 378.270 2.257 20 0 GEADRO CS(=O)(=O)c1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000625840759 652373077 /nfs/dbraw/zinc/37/30/77/652373077.db2.gz ZJCLYUBNSXHXGR-MNOVXSKESA-N 1 0 379.404 2.081 20 0 GEADRO COc1cc(NC(=O)NCC2([NH3+])CCOCC2)cc(OC)c1Br ZINC000625875140 652374141 /nfs/dbraw/zinc/37/41/41/652374141.db2.gz JMOYCXVPJAHDGE-UHFFFAOYSA-N 1 0 388.262 2.096 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000625877742 652374574 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C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](CC(F)(F)F)O1 ZINC000660134948 652389803 /nfs/dbraw/zinc/38/98/03/652389803.db2.gz LCUSAKIGMPTGJE-OCCSQVGLSA-N 1 0 380.432 2.479 20 0 GEADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cn1cc(Br)ccc1=O)c1ccco1 ZINC000580733899 652390370 /nfs/dbraw/zinc/39/03/70/652390370.db2.gz BCSAJKVKZPZJBG-TZMCWYRMSA-N 1 0 396.285 2.449 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(Br)ccc1F ZINC000626376644 652390483 /nfs/dbraw/zinc/39/04/83/652390483.db2.gz XMEQTFFTYFHMAR-ZDUSSCGKSA-N 1 0 387.253 2.050 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000660156194 652390859 /nfs/dbraw/zinc/39/08/59/652390859.db2.gz KINGZKLDKVICDZ-MRXNPFEDSA-N 1 0 390.933 2.218 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1cccs1 ZINC000580753199 652390896 /nfs/dbraw/zinc/39/08/96/652390896.db2.gz KTMSAVQMBHZKHQ-QWHCGFSZSA-N 1 0 376.503 2.121 20 0 GEADRO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1cccs1 ZINC000580753200 652390958 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COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000660187928 652394421 /nfs/dbraw/zinc/39/44/21/652394421.db2.gz KGKMBNRHTVLEBD-LBPRGKRZSA-N 1 0 395.294 2.215 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)NC[C@H]1CSCCS1)[NH+]1CCOCC1 ZINC000752869886 652395067 /nfs/dbraw/zinc/39/50/67/652395067.db2.gz OWCZMFYJZSYZSM-JKSUJKDBSA-N 1 0 375.604 2.271 20 0 GEADRO Cc1ccc(Br)c(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000580919921 652396312 /nfs/dbraw/zinc/39/63/12/652396312.db2.gz MHPNARZLCLWCLH-CQSZACIVSA-N 1 0 396.329 2.478 20 0 GEADRO C[N@@H+](Cc1cccc(Br)c1OCC(C)(C)O)C[C@H]1CNC(=O)C1 ZINC000660398011 652400659 /nfs/dbraw/zinc/40/06/59/652400659.db2.gz CDWKOXPLQLZZRO-GFCCVEGCSA-N 1 0 385.302 2.167 20 0 GEADRO Cc1nc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(Br)s1 ZINC000581118074 652402472 /nfs/dbraw/zinc/40/24/72/652402472.db2.gz WGGFTMPPKJBCRY-JTQLQIEISA-N 1 0 376.320 2.445 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626797171 652403414 /nfs/dbraw/zinc/40/34/14/652403414.db2.gz YYPZLVFZFNTAKA-UHFFFAOYSA-N 1 0 379.869 2.481 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660478334 652403598 /nfs/dbraw/zinc/40/35/98/652403598.db2.gz LPMHLSMKWGCXKT-IAGOWNOFSA-N 1 0 396.329 2.162 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NC2CCC([NH3+])CC2)cc1Br ZINC000626830577 652404223 /nfs/dbraw/zinc/40/42/23/652404223.db2.gz NTGNKTKDDGNMKY-UHFFFAOYSA-N 1 0 386.315 2.496 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1Br ZINC000626829760 652404268 /nfs/dbraw/zinc/40/42/68/652404268.db2.gz FZUHSGOKKRYVRJ-UHFFFAOYSA-N 1 0 386.315 2.307 20 0 GEADRO CCN1CC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000660490702 652404343 /nfs/dbraw/zinc/40/43/43/652404343.db2.gz XXTCVJXSFQZXBB-VVLHAWIVSA-N 1 0 390.908 2.016 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(SC)c(Br)c2)C1 ZINC000626831032 652404422 /nfs/dbraw/zinc/40/44/22/652404422.db2.gz RDEJBPWNGAXIDY-SNVBAGLBSA-N 1 0 386.315 2.177 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1Br ZINC000626831565 652404450 /nfs/dbraw/zinc/40/44/50/652404450.db2.gz GNGHCZDMSMYUAK-BXKDBHETSA-N 1 0 386.315 2.305 20 0 GEADRO COC[C@@]1(CNC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CCC[NH2+]1 ZINC000581185961 652405623 /nfs/dbraw/zinc/40/56/23/652405623.db2.gz UUZRQWXTKHCUMQ-PBHICJAKSA-N 1 0 387.933 2.041 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626850268 652405853 /nfs/dbraw/zinc/40/58/53/652405853.db2.gz CKSISGZZJMKLGC-GFCCVEGCSA-N 1 0 386.677 2.442 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1Br ZINC000626851922 652406193 /nfs/dbraw/zinc/40/61/93/652406193.db2.gz RUINTXNZOLSKAX-NSHDSACASA-N 1 0 384.249 2.236 20 0 GEADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc(Br)cc2cccnc21 ZINC000581199613 652406278 /nfs/dbraw/zinc/40/62/78/652406278.db2.gz JWMCSCPNEPIQCD-GOSISDBHSA-N 1 0 390.281 2.184 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N(CC)CC[NH3+] ZINC000626855873 652406446 /nfs/dbraw/zinc/40/64/46/652406446.db2.gz IKJDVJNIPBOYHG-UHFFFAOYSA-N 1 0 392.681 2.247 20 0 GEADRO C[C@@H](CNC(=O)N(C)CCn1cc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000581211540 652406628 /nfs/dbraw/zinc/40/66/28/652406628.db2.gz GMNPUYTWKPTQOF-AWEZNQCLSA-N 1 0 386.338 2.407 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2F)CC[C@@H]1C(F)(F)F ZINC000626861196 652406835 /nfs/dbraw/zinc/40/68/35/652406835.db2.gz MAEXRSQXWHNTOA-SCZZXKLOSA-N 1 0 381.757 2.403 20 0 GEADRO CN1CC[C@H]([NH2+]Cc2coc(S(N)(=O)=O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000660570691 652407016 /nfs/dbraw/zinc/40/70/16/652407016.db2.gz OXBVSCJWQPTWJM-GOEBONIOSA-N 1 0 387.864 2.255 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1ccc2c(c1)OCCCCO2)c1cccs1 ZINC000581231631 652407280 /nfs/dbraw/zinc/40/72/80/652407280.db2.gz VGZKIIMGNPWQBN-UHFFFAOYSA-N 1 0 382.507 2.368 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626888497 652407745 /nfs/dbraw/zinc/40/77/45/652407745.db2.gz MHWGCPLEVJNWEC-JQWIXIFHSA-N 1 0 384.274 2.043 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C[NH2+]1 ZINC000626892842 652408021 /nfs/dbraw/zinc/40/80/21/652408021.db2.gz IOIGOLBQSMPFGT-SFYZADRCSA-N 1 0 392.656 2.437 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C[NH2+]1 ZINC000626891763 652408096 /nfs/dbraw/zinc/40/80/96/652408096.db2.gz BSIKLEQIYHLQTP-GHMZBOCLSA-N 1 0 391.269 2.193 20 0 GEADRO COCC1([NH2+]CC(=O)N(C)Cc2ccccc2Br)CCOCC1 ZINC000660628585 652408300 /nfs/dbraw/zinc/40/83/00/652408300.db2.gz AEQQQXZTHHAORS-UHFFFAOYSA-N 1 0 385.302 2.193 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C[NH2+]1 ZINC000626893808 652408361 /nfs/dbraw/zinc/40/83/61/652408361.db2.gz RMPUADQLJFFOES-GXFFZTMASA-N 1 0 380.286 2.133 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000660640797 652408521 /nfs/dbraw/zinc/40/85/21/652408521.db2.gz VHFPFKCBODJBGK-DLBZAZTESA-N 1 0 397.361 2.315 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000660643296 652409065 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389.237 2.220 20 0 GEADRO Cc1cc(Br)c(F)c(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1 ZINC000627518614 652431684 /nfs/dbraw/zinc/43/16/84/652431684.db2.gz OTYJIPYNYVZAII-UHFFFAOYSA-N 1 0 384.293 2.216 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000582010701 652431821 /nfs/dbraw/zinc/43/18/21/652431821.db2.gz AFCWGIGRYSTQSA-KRWDZBQOSA-N 1 0 398.345 2.412 20 0 GEADRO OC[C@@H]([NH2+]Cc1nc(-c2ccc(Br)s2)no1)C1CCOCC1 ZINC000582023017 652432423 /nfs/dbraw/zinc/43/24/23/652432423.db2.gz PZGDNOBEFOWVHS-SNVBAGLBSA-N 1 0 388.287 2.438 20 0 GEADRO C[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]1CCO ZINC000661492544 652433058 /nfs/dbraw/zinc/43/30/58/652433058.db2.gz LBRROBQCUXGKIS-IUODEOHRSA-N 1 0 380.286 2.440 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N2CCc3ccc(Br)cc3C2)CC1 ZINC000582068224 652434044 /nfs/dbraw/zinc/43/40/44/652434044.db2.gz BSELXODLZFYXAI-UHFFFAOYSA-N 1 0 380.330 2.361 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccccc1Br ZINC000661597747 652434429 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O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc(-c2cccc(Br)c2)no1 ZINC000662571624 652468492 /nfs/dbraw/zinc/46/84/92/652468492.db2.gz UKAABDUBKGCDGG-ZDUSSCGKSA-N 1 0 380.242 2.212 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662590913 652469272 /nfs/dbraw/zinc/46/92/72/652469272.db2.gz OIZHXIFUIYNZJX-MRXNPFEDSA-N 1 0 396.329 2.302 20 0 GEADRO C[N@H+](CC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)[C@@H]1CCSC1 ZINC000628742423 652469593 /nfs/dbraw/zinc/46/95/93/652469593.db2.gz ZBVDRRDKUKRIBX-SJORKVTESA-N 1 0 383.945 2.099 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000662611810 652469591 /nfs/dbraw/zinc/46/95/91/652469591.db2.gz PTXJOSWRDUGVTI-UHFFFAOYSA-N 1 0 396.329 2.497 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000628750998 652469932 /nfs/dbraw/zinc/46/99/32/652469932.db2.gz SUZHHYDKHJKEGP-GFCCVEGCSA-N 1 0 396.289 2.144 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662675298 652470290 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Cc1ccc(Br)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000663311903 652493429 /nfs/dbraw/zinc/49/34/29/652493429.db2.gz RRQKFFNDROZFLZ-SNVBAGLBSA-N 1 0 375.210 2.268 20 0 GEADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000663311634 652493440 /nfs/dbraw/zinc/49/34/40/652493440.db2.gz ORAIPQGRPQMZNO-SECBINFHSA-N 1 0 382.738 2.452 20 0 GEADRO CS(=O)(=O)c1cccc(OCCN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c1 ZINC000629583180 652494249 /nfs/dbraw/zinc/49/42/49/652494249.db2.gz SUZWFGUKNVJTKW-WFASDCNBSA-N 1 0 380.432 2.071 20 0 GEADRO Cc1cc(C(C)(C)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1Br ZINC000583698436 652494708 /nfs/dbraw/zinc/49/47/08/652494708.db2.gz AHUHDGQCGKUEPT-HNNXBMFYSA-N 1 0 382.346 2.397 20 0 GEADRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc(Br)c1)C(=O)N1CCCC1 ZINC000629603507 652495210 /nfs/dbraw/zinc/49/52/10/652495210.db2.gz RUYWJZXDEQJTIH-OAHLLOKOSA-N 1 0 399.329 2.427 20 0 GEADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000629821897 652495461 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O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663604951 652505828 /nfs/dbraw/zinc/50/58/28/652505828.db2.gz PJRJYKHBUHEKCQ-UHFFFAOYSA-N 1 0 379.766 2.435 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC[C@@H]1[NH3+] ZINC000663603897 652505858 /nfs/dbraw/zinc/50/58/58/652505858.db2.gz KHEHMSFSIVGOKI-KCJUWKMLSA-N 1 0 379.766 2.373 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663605320 652506229 /nfs/dbraw/zinc/50/62/29/652506229.db2.gz SFHHHOONCWQPLV-DTWKUNHWSA-N 1 0 379.766 2.373 20 0 GEADRO C[C@]1(NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[NH2+]C1 ZINC000663610109 652506389 /nfs/dbraw/zinc/50/63/89/652506389.db2.gz BTVGGKSNGMZRFA-KRWDZBQOSA-N 1 0 376.254 2.409 20 0 GEADRO C[C@@H]1SCCN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[C@H]1C ZINC000584077072 652508490 /nfs/dbraw/zinc/50/84/90/652508490.db2.gz YUQBDPMVJIRTPY-XEZPLFJOSA-N 1 0 383.945 2.411 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cnn(-c2ccccn2)c(=O)c1Br ZINC000584103558 652509313 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O=C(/C=C\c1ccc(Br)o1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000757511190 652517823 /nfs/dbraw/zinc/51/78/23/652517823.db2.gz MIZDYGDJRDDGLQ-XQRVVYSFSA-N 1 0 382.302 2.295 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000631034201 652518441 /nfs/dbraw/zinc/51/84/41/652518441.db2.gz OOWMPIRJVAWEBR-INIZCTEOSA-N 1 0 379.913 2.352 20 0 GEADRO CC(C)C[NH+]1CCN(c2cccc(OC(F)(F)F)c2S(N)(=O)=O)CC1 ZINC000631036721 652518692 /nfs/dbraw/zinc/51/86/92/652518692.db2.gz BFHSWJKLFAOZJF-UHFFFAOYSA-N 1 0 381.420 2.011 20 0 GEADRO C[NH+]1CCN(c2cc(CNCc3ccncc3Br)ccn2)CC1 ZINC000631042785 652518796 /nfs/dbraw/zinc/51/87/96/652518796.db2.gz MMPNAFSVWHNPBZ-UHFFFAOYSA-N 1 0 376.302 2.281 20 0 GEADRO CCN(CCC[NH2+]Cc1ncc(Br)cc1Cl)S(C)(=O)=O ZINC000631053288 652519026 /nfs/dbraw/zinc/51/90/26/652519026.db2.gz XALDLCQZTXJGDO-UHFFFAOYSA-N 1 0 384.727 2.259 20 0 GEADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ncc(Br)cc1Cl ZINC000631114340 652520664 /nfs/dbraw/zinc/52/06/64/652520664.db2.gz BTLRKOFGVLMRHF-OCCSQVGLSA-N 1 0 379.682 2.408 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000757717454 652520997 /nfs/dbraw/zinc/52/09/97/652520997.db2.gz IYLHOFASEYLVLJ-NXEZZACHSA-N 1 0 382.711 2.259 20 0 GEADRO C[C@@H]1CN(CCNC(=O)NCCc2ccc(Br)cc2)[C@H](C)CO1 ZINC000664153901 652521441 /nfs/dbraw/zinc/52/14/41/652521441.db2.gz XRKNVOJREITCJT-ZIAGYGMSSA-N 1 0 384.318 2.400 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664153969 652521575 /nfs/dbraw/zinc/52/15/75/652521575.db2.gz ZXYWKBIRKQMGGB-QGZVFWFLSA-N 1 0 396.329 2.232 20 0 GEADRO CC[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)Cc1cccc(Br)c1 ZINC000664171803 652521850 /nfs/dbraw/zinc/52/18/50/652521850.db2.gz BCLFDIQTCQRLNO-JQFCIGGWSA-N 1 0 398.345 2.334 20 0 GEADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccnc1I ZINC000757866967 652524459 /nfs/dbraw/zinc/52/44/59/652524459.db2.gz PIAJQVUPQYJCHO-UHFFFAOYSA-N 1 0 385.249 2.290 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000631655173 652529977 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20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000664626912 652533436 /nfs/dbraw/zinc/53/34/36/652533436.db2.gz VNJJOIPREHXLBU-UHFFFAOYSA-N 1 0 379.766 2.197 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000631785000 652533655 /nfs/dbraw/zinc/53/36/55/652533655.db2.gz KAOCOHRCWWNHDB-GRYCIOLGSA-N 1 0 380.436 2.454 20 0 GEADRO O=S(=O)(CCN1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccc(Br)cc1 ZINC000631886988 652537840 /nfs/dbraw/zinc/53/78/40/652537840.db2.gz NPEWECBLOSFHJI-XJKSGUPXSA-N 1 0 387.343 2.297 20 0 GEADRO O=S(=O)(CCN1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccc(Br)cc1 ZINC000631886985 652537893 /nfs/dbraw/zinc/53/78/93/652537893.db2.gz NPEWECBLOSFHJI-BBRMVZONSA-N 1 0 387.343 2.297 20 0 GEADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CC1 ZINC000585796806 652538158 /nfs/dbraw/zinc/53/81/58/652538158.db2.gz YWQOTMSSQARAHC-ZDUSSCGKSA-N 1 0 387.571 2.346 20 0 GEADRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2c[nH]c(=O)s2)CC1 ZINC000631890560 652538277 /nfs/dbraw/zinc/53/82/77/652538277.db2.gz QMBLRRMLRQIAKF-UHFFFAOYSA-N 1 0 381.523 2.381 20 0 GEADRO [NH3+][C@H](CNS(=O)(=O)Cc1ncsc1Br)c1ccccc1 ZINC000631903739 652539358 /nfs/dbraw/zinc/53/93/58/652539358.db2.gz SPDUBJPBFBWANV-SNVBAGLBSA-N 1 0 376.301 2.025 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000631908243 652540030 /nfs/dbraw/zinc/54/00/30/652540030.db2.gz HLLRVBGKUYIYSB-WDEREUQCSA-N 1 0 394.360 2.199 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631907359 652540110 /nfs/dbraw/zinc/54/01/10/652540110.db2.gz JBYMBLRLUFYKNJ-VIFPVBQESA-N 1 0 390.328 2.431 20 0 GEADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000631913950 652540623 /nfs/dbraw/zinc/54/06/23/652540623.db2.gz RGZXRUGZQJGFQS-IUODEOHRSA-N 1 0 379.309 2.449 20 0 GEADRO C[C@H]1CN(C(=O)c2scnc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000758427428 652541067 /nfs/dbraw/zinc/54/10/67/652541067.db2.gz OLELWCYUIZHHQR-NWDGAFQWSA-N 1 0 387.347 2.004 20 0 GEADRO CC(C)[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(C(F)(F)F)cc1 ZINC000631928246 652541117 /nfs/dbraw/zinc/54/11/17/652541117.db2.gz VGRAJDCBQNYUTA-GJZGRUSLSA-N 1 0 380.432 2.310 20 0 GEADRO CC(C)[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccc(C(F)(F)F)cc1 ZINC000631928247 652541191 /nfs/dbraw/zinc/54/11/91/652541191.db2.gz VGRAJDCBQNYUTA-HUUCEWRRSA-N 1 0 380.432 2.310 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cnc3c(Br)csc3c2)C[C@H]1[NH3+] ZINC000631932083 652541581 /nfs/dbraw/zinc/54/15/81/652541581.db2.gz LQYDYNLLWRMLPK-GMSGAONNSA-N 1 0 376.301 2.027 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631937143 652542409 /nfs/dbraw/zinc/54/24/09/652542409.db2.gz CYYLZWREMMJJNF-XVKPBYJWSA-N 1 0 376.301 2.169 20 0 GEADRO O=C(NCCSCc1ccnc(Cl)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000758456302 652542619 /nfs/dbraw/zinc/54/26/19/652542619.db2.gz QXIKCQQUGBFPFO-HUUCEWRRSA-N 1 0 384.933 2.131 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1ncsc1Br ZINC000631941241 652542746 /nfs/dbraw/zinc/54/27/46/652542746.db2.gz RTEPEMHIDWLDQP-JTQLQIEISA-N 1 0 382.349 2.199 20 0 GEADRO C[NH+]1CCN(c2cc(-c3noc(CSc4nncs4)n3)ccn2)CC1 ZINC000664934879 652542971 /nfs/dbraw/zinc/54/29/71/652542971.db2.gz PLNHBVOMBJVGMM-UHFFFAOYSA-N 1 0 375.483 2.027 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000631943540 652543085 /nfs/dbraw/zinc/54/30/85/652543085.db2.gz YYZWWYMLBQDKBC-CMPLNLGQSA-N 1 0 394.360 2.199 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000631977299 652543804 /nfs/dbraw/zinc/54/38/04/652543804.db2.gz OITAUTCGLRUOCW-OAGGEKHMSA-N 1 0 382.517 2.478 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)[C@@H]2CCCC[C@@H]2OC)[C@@H](C)C1 ZINC000631977014 652543836 /nfs/dbraw/zinc/54/38/36/652543836.db2.gz KJXVVMCBVMWYMK-XWTMOSNGSA-N 1 0 376.563 2.000 20 0 GEADRO COc1ccc2c(c1)C=C(S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1)CC2 ZINC000758492866 652544406 /nfs/dbraw/zinc/54/44/06/652544406.db2.gz DSRNPQILUHXXTJ-ROUUACIJSA-N 1 0 382.551 2.290 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000665130405 652545984 /nfs/dbraw/zinc/54/59/84/652545984.db2.gz CDHSSCISEPAGSN-GFCCVEGCSA-N 1 0 375.922 2.273 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000632053519 652546869 /nfs/dbraw/zinc/54/68/69/652546869.db2.gz VLHMDSLZIYGLLM-QWRGUYRKSA-N 1 0 382.370 2.475 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000632062569 652547839 /nfs/dbraw/zinc/54/78/39/652547839.db2.gz CPNYHVRKIYWFGU-HNNXBMFYSA-N 1 0 380.432 2.360 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000632062570 652547847 /nfs/dbraw/zinc/54/78/47/652547847.db2.gz CPNYHVRKIYWFGU-OAHLLOKOSA-N 1 0 380.432 2.360 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000588136653 652548840 /nfs/dbraw/zinc/54/88/40/652548840.db2.gz BVGCSYUTXRCWFN-BLLLJJGKSA-N 1 0 386.901 2.374 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)n1 ZINC000665292460 652550447 /nfs/dbraw/zinc/55/04/47/652550447.db2.gz AJHGZWWDWCRWMN-WMLDXEAASA-N 1 0 393.285 2.413 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000632307103 652556045 /nfs/dbraw/zinc/55/60/45/652556045.db2.gz SWJCNGRNVFLUPZ-CYBMUJFWSA-N 1 0 377.304 2.144 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000632307104 652556077 /nfs/dbraw/zinc/55/60/77/652556077.db2.gz SWJCNGRNVFLUPZ-ZDUSSCGKSA-N 1 0 377.304 2.144 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000632368024 652559318 /nfs/dbraw/zinc/55/93/18/652559318.db2.gz AZZDCDGTWDMLMS-YGRLFVJLSA-N 1 0 389.905 2.020 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1 ZINC000632368062 652559359 /nfs/dbraw/zinc/55/93/59/652559359.db2.gz BHZQFDGBMSUBQP-GXFFZTMASA-N 1 0 377.304 2.171 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000758971558 652559309 /nfs/dbraw/zinc/55/93/09/652559309.db2.gz SMLUMZKVALZTDF-UHFFFAOYSA-N 1 0 397.310 2.463 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000632364839 652559410 /nfs/dbraw/zinc/55/94/10/652559410.db2.gz HBJVGSJXPNJZEG-KRWDZBQOSA-N 1 0 385.961 2.097 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCSC[C@H]1c1nccs1 ZINC000665760891 652559611 /nfs/dbraw/zinc/55/96/11/652559611.db2.gz RICBCGGFCCKYLH-GJZGRUSLSA-N 1 0 385.603 2.215 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000589179547 652561327 /nfs/dbraw/zinc/56/13/27/652561327.db2.gz ZCKWWJGOYKZOTC-ZFWWWQNUSA-N 1 0 387.571 2.056 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000589230848 652562296 /nfs/dbraw/zinc/56/22/96/652562296.db2.gz VHKRQJVCGLYJQB-NEPJUHHUSA-N 1 0 396.285 2.139 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000589231889 652562685 /nfs/dbraw/zinc/56/26/85/652562685.db2.gz UNEZDSLJOJNEEO-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@]1(C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)NC(=O)NC1=O ZINC000759165532 652565225 /nfs/dbraw/zinc/56/52/25/652565225.db2.gz INRSELKMAPNZBV-WMLDXEAASA-N 1 0 386.279 2.337 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(CC(F)F)CC1 ZINC000666086354 652566433 /nfs/dbraw/zinc/56/64/33/652566433.db2.gz DLYPDKACPHUWGC-NSHDSACASA-N 1 0 378.261 2.318 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCc2cccc(Cl)c2C1)NC[C@H]1CCCCO1 ZINC000666100677 652566734 /nfs/dbraw/zinc/56/67/34/652566734.db2.gz XRYHBTJGRQUQFD-JKSUJKDBSA-N 1 0 386.945 2.275 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000666139515 652567350 /nfs/dbraw/zinc/56/73/50/652567350.db2.gz FLRIZGGXEWUXQU-XWIASGKRSA-N 1 0 383.208 2.435 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)Cc1ncsc1Br ZINC000632573039 652567735 /nfs/dbraw/zinc/56/77/35/652567735.db2.gz OJHNYHVWSZITPR-UHFFFAOYSA-N 1 0 384.365 2.445 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(Br)c1 ZINC000666225989 652569295 /nfs/dbraw/zinc/56/92/95/652569295.db2.gz KKNHOIRNGFHTEZ-UHFFFAOYSA-N 1 0 389.269 2.072 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1C(F)F ZINC000632639211 652571142 /nfs/dbraw/zinc/57/11/42/652571142.db2.gz PKLFPJZSHYEHKO-UHFFFAOYSA-N 1 0 376.473 2.305 20 0 GEADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1ccncc1Br ZINC000666492234 652578223 /nfs/dbraw/zinc/57/82/23/652578223.db2.gz NGDXFEDXIOVTFU-UHFFFAOYSA-N 1 0 397.317 2.279 20 0 GEADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000590747933 652579413 /nfs/dbraw/zinc/57/94/13/652579413.db2.gz DFEAGDFJSSMMSH-RWMBFGLXSA-N 1 0 388.452 2.005 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000666695581 652583385 /nfs/dbraw/zinc/58/33/85/652583385.db2.gz DSYBMSRBEHRXRY-UHFFFAOYSA-N 1 0 385.306 2.391 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000633043039 652583355 /nfs/dbraw/zinc/58/33/55/652583355.db2.gz XYAPAWBFAMQWCK-IONNQARKSA-N 1 0 394.191 2.355 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000633047264 652583621 /nfs/dbraw/zinc/58/36/21/652583621.db2.gz LEUPPRCKPYAQFK-LLVKDONJSA-N 1 0 386.265 2.421 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)NCc2nc3cc(Br)ccc3o2)cn1 ZINC000633093788 652585939 /nfs/dbraw/zinc/58/59/39/652585939.db2.gz UDWIKUMVZTWYKW-UHFFFAOYSA-N 1 0 392.257 2.278 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCSC[C@H]1c1nccs1 ZINC000666976069 652588642 /nfs/dbraw/zinc/58/86/42/652588642.db2.gz ASTKNKXVBDWDAK-CABCVRRESA-N 1 0 382.555 2.196 20 0 GEADRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCCc2ccc(Br)cc2OC)C1 ZINC000592194209 652590060 /nfs/dbraw/zinc/59/00/60/652590060.db2.gz FEBOHZVQPHDGGZ-DZGCQCFKSA-N 1 0 386.286 2.246 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000592433744 652594752 /nfs/dbraw/zinc/59/47/52/652594752.db2.gz GUGAZOAZABWANO-HNNXBMFYSA-N 1 0 393.285 2.176 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1cc(Br)c(F)cc1Cl ZINC000667184604 652595867 /nfs/dbraw/zinc/59/58/67/652595867.db2.gz HIYAHWHKWPWHPI-UHFFFAOYSA-N 1 0 379.661 2.268 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1cnn(-c2ccccc2)c1Br ZINC000760182018 652597914 /nfs/dbraw/zinc/59/79/14/652597914.db2.gz GJYBDYSELKZMSQ-UHFFFAOYSA-N 1 0 386.253 2.294 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000667262644 652599096 /nfs/dbraw/zinc/59/90/96/652599096.db2.gz KMHPEPGMQULCBU-LLVKDONJSA-N 1 0 375.416 2.380 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1Br ZINC000667265876 652599451 /nfs/dbraw/zinc/59/94/51/652599451.db2.gz DXUBYFHQGVRJRD-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592548870 652599623 /nfs/dbraw/zinc/59/96/23/652599623.db2.gz GALGCSXBQJYCQO-GDBMZVCRSA-N 1 0 397.313 2.381 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667268228 652599772 /nfs/dbraw/zinc/59/97/72/652599772.db2.gz SBHBGNGIABEJDZ-ZETCQYMHSA-N 1 0 378.629 2.000 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000760256218 652600969 /nfs/dbraw/zinc/60/09/69/652600969.db2.gz NZRGOUJCBIOQGI-CYBMUJFWSA-N 1 0 393.285 2.085 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000667343601 652601832 /nfs/dbraw/zinc/60/18/32/652601832.db2.gz YIGYKUMYFPHGCT-HQJQHLMTSA-N 1 0 392.656 2.376 20 0 GEADRO CC(C)N1CC[NH+](C2CCN(Cn3nc(N(C)C)sc3=S)CC2)CC1 ZINC000760286390 652602037 /nfs/dbraw/zinc/60/20/37/652602037.db2.gz KWHQAQQPXRMFON-UHFFFAOYSA-N 1 0 384.619 2.188 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667386400 652603366 /nfs/dbraw/zinc/60/33/66/652603366.db2.gz GOPXFXRXRADBTF-MRVPVSSYSA-N 1 0 392.656 2.391 20 0 GEADRO Cc1nnc(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)[nH]1 ZINC000667427368 652605202 /nfs/dbraw/zinc/60/52/02/652605202.db2.gz DCEHXEFSLLLUHO-UHFFFAOYSA-N 1 0 380.290 2.009 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)cc3Br)C[C@H]12 ZINC000667471347 652606663 /nfs/dbraw/zinc/60/66/63/652606663.db2.gz NDLPYSVCAFHPFL-PTOFAABTSA-N 1 0 386.677 2.237 20 0 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Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[S@@](C)=O)CC1 ZINC000760869783 652626821 /nfs/dbraw/zinc/62/68/21/652626821.db2.gz HYXKRGYYEIWYOG-JOCHJYFZSA-N 1 0 387.343 2.330 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CCC2(C)OCCO2)ccc1S(=O)(=O)C(F)F ZINC000760884103 652627166 /nfs/dbraw/zinc/62/71/66/652627166.db2.gz XQBPMYCQGFAZDW-LLVKDONJSA-N 1 0 379.425 2.495 20 0 GEADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000668056930 652628145 /nfs/dbraw/zinc/62/81/45/652628145.db2.gz WTMQOBNXNJAHQM-INIZCTEOSA-N 1 0 383.539 2.169 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000634028440 652628239 /nfs/dbraw/zinc/62/82/39/652628239.db2.gz HHKIVABPYBLHBY-IAOMBJDPSA-N 1 0 379.298 2.172 20 0 GEADRO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000761085376 652631910 /nfs/dbraw/zinc/63/19/10/652631910.db2.gz BNIMUOYPYIHSRL-GXTWGEPZSA-N 1 0 384.343 2.249 20 0 GEADRO O[C@]1(CC[NH2+]Cc2ccc(F)cc2I)CCCOC1 ZINC000593688342 652632040 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C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCC1([NH3+])CCOCC1 ZINC000638538555 652893432 /nfs/dbraw/zinc/89/34/32/652893432.db2.gz RYKLROPPAGMMAC-SNVBAGLBSA-N 1 0 391.693 2.494 20 0 GEADRO COc1ccc(Br)cc1CC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000674311268 652893885 /nfs/dbraw/zinc/89/38/85/652893885.db2.gz MKVJJDDOJQDOIL-UHFFFAOYSA-N 1 0 385.302 2.227 20 0 GEADRO COC1CC[NH+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000674310950 652893971 /nfs/dbraw/zinc/89/39/71/652893971.db2.gz BBTBBKWATVZDNT-UHFFFAOYSA-N 1 0 399.285 2.061 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000638559308 652894391 /nfs/dbraw/zinc/89/43/91/652894391.db2.gz PQDIHUCJJBKEJP-WCQYABFASA-N 1 0 377.794 2.056 20 0 GEADRO Brc1cnc2c(CNCC3([NH+]4CCCC4)CCOCC3)cnn2c1 ZINC000638556896 652894482 /nfs/dbraw/zinc/89/44/82/652894482.db2.gz FPOTXRVSRCFCNT-UHFFFAOYSA-N 1 0 394.317 2.226 20 0 GEADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cc(Br)cnc2OC)C1(C)C ZINC000638559565 652894780 /nfs/dbraw/zinc/89/47/80/652894780.db2.gz 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C[NH+](C)CCCNC(=S)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000773186927 653186310 /nfs/dbraw/zinc/18/63/10/653186310.db2.gz APQJEQIYVTYPJE-UHFFFAOYSA-N 1 0 397.488 2.025 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)C1([S@](C)=O)CC[NH2+]CC1)CC2 ZINC000602503825 653186561 /nfs/dbraw/zinc/18/65/61/653186561.db2.gz RUWJZKXJUHLHFL-QHCPKHFHSA-N 1 0 399.354 2.143 20 0 GEADRO O=C(C[NH2+]Cc1ccc(I)s1)NCc1ccco1 ZINC000602511710 653187345 /nfs/dbraw/zinc/18/73/45/653187345.db2.gz QNJJTMNAJHEDGF-UHFFFAOYSA-N 1 0 376.219 2.352 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000602544164 653190236 /nfs/dbraw/zinc/19/02/36/653190236.db2.gz FEKGWVXHLHTKJY-GXTWGEPZSA-N 1 0 394.269 2.314 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)c2cc(F)c(F)cc2I)C[NH2+]1 ZINC000602554020 653190648 /nfs/dbraw/zinc/19/06/48/653190648.db2.gz MDWYTZJOAZJJLO-JGVFFNPUSA-N 1 0 380.176 2.440 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000602553437 653190798 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COC(=O)c1csc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000602618932 653195140 /nfs/dbraw/zinc/19/51/40/653195140.db2.gz VZCRWUTXBRRBBK-UHFFFAOYSA-N 1 0 380.491 2.364 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)on1 ZINC000602635961 653196559 /nfs/dbraw/zinc/19/65/59/653196559.db2.gz GEBKAAKJQHPFLH-GFCCVEGCSA-N 1 0 383.242 2.165 20 0 GEADRO Cn1cc(CCC[NH2+]CC(=O)Nc2ccc(I)cc2)cn1 ZINC000602656543 653198880 /nfs/dbraw/zinc/19/88/80/653198880.db2.gz ZKXWBLJYVTWIBC-UHFFFAOYSA-N 1 0 398.248 2.186 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)on1 ZINC000602683041 653200157 /nfs/dbraw/zinc/20/01/57/653200157.db2.gz HFRBRKUSLOAZJP-CYBMUJFWSA-N 1 0 397.269 2.473 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681986084 653201172 /nfs/dbraw/zinc/20/11/72/653201172.db2.gz FDWIZHSBNCTBJQ-OAHLLOKOSA-N 1 0 393.285 2.233 20 0 GEADRO O=C1C[C@@H](C[NH2+]Cc2ccc(I)s2)CN1C1CC1 ZINC000602710162 653201460 /nfs/dbraw/zinc/20/14/60/653201460.db2.gz FLQFDBOGPIBOHL-VIFPVBQESA-N 1 0 376.263 2.453 20 0 GEADRO CC1(C)CN(Cc2cc3c(cc2Br)OCCCO3)CC[N@@H+]1CCO ZINC000682034386 653204252 /nfs/dbraw/zinc/20/42/52/653204252.db2.gz YCYDCDROXZMBAJ-UHFFFAOYSA-N 1 0 399.329 2.499 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccnc1I ZINC000807776744 653204340 /nfs/dbraw/zinc/20/43/40/653204340.db2.gz GOYMQZSDNNFVNM-AAEUAGOBSA-N 1 0 385.249 2.385 20 0 GEADRO Cn1ncc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c1Br ZINC000773535351 653204341 /nfs/dbraw/zinc/20/43/41/653204341.db2.gz JZWAWRJFOAJVIG-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@](O)(c2ccc(C)o2)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000773532444 653204622 /nfs/dbraw/zinc/20/46/22/653204622.db2.gz UFQKIIKREHHPON-JMSVASOKSA-N 1 0 380.432 2.232 20 0 GEADRO C[C@@H](NC(=O)CN1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000682034523 653204538 /nfs/dbraw/zinc/20/45/38/653204538.db2.gz HRWPUUVJNUUSCU-CQSZACIVSA-N 1 0 398.345 2.015 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2ccc(I)c(F)c2)CC1 ZINC000773540329 653205208 /nfs/dbraw/zinc/20/52/08/653205208.db2.gz IZTJVHHSRYNYHC-UHFFFAOYSA-N 1 0 378.185 2.186 20 0 GEADRO CN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602767652 653205552 /nfs/dbraw/zinc/20/55/52/653205552.db2.gz IEJXXFBBWAUYMN-MRXNPFEDSA-N 1 0 390.281 2.457 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)ccc1Br ZINC000682279391 653207013 /nfs/dbraw/zinc/20/70/13/653207013.db2.gz QLJRRQSNGIRNIJ-UHFFFAOYSA-N 1 0 386.290 2.196 20 0 GEADRO COc1ncc(Br)c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000641452283 653207777 /nfs/dbraw/zinc/20/77/77/653207777.db2.gz VFHXADVYLSWWLI-UHFFFAOYSA-N 1 0 398.349 2.243 20 0 GEADRO C[C@H]([NH3+])CNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000641474850 653210751 /nfs/dbraw/zinc/21/07/51/653210751.db2.gz NBBBHDQPHRKBGE-CPCISQLKSA-N 1 0 384.196 2.148 20 0 GEADRO C[NH+](C)C1(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCC1 ZINC000773657092 653210763 /nfs/dbraw/zinc/21/07/63/653210763.db2.gz JNJAHPSVRZVRKM-AWEZNQCLSA-N 1 0 380.286 2.155 20 0 GEADRO O=C(c1cccnc1I)N1CC[NH+](C2CCCC2)CC1 ZINC000770473228 653214233 /nfs/dbraw/zinc/21/42/33/653214233.db2.gz KJOZWVSJSHBDAS-UHFFFAOYSA-N 1 0 385.249 2.387 20 0 GEADRO Cc1c(C(=O)NOC2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000808024884 653215390 /nfs/dbraw/zinc/21/53/90/653215390.db2.gz UCYOFORYAZWKEW-UHFFFAOYSA-N 1 0 394.273 2.094 20 0 GEADRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000682500793 653215623 /nfs/dbraw/zinc/21/56/23/653215623.db2.gz KUUDSSDNFFFFJF-AWEZNQCLSA-N 1 0 385.551 2.488 20 0 GEADRO C[C@@H](CNC(=O)Cc1ccc(Br)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000682498291 653215744 /nfs/dbraw/zinc/21/57/44/653215744.db2.gz APALNCWSQBYCKF-LBPRGKRZSA-N 1 0 388.737 2.397 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000773949272 653218509 /nfs/dbraw/zinc/21/85/09/653218509.db2.gz KTMMNCYATKIVCI-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000682595183 653218944 /nfs/dbraw/zinc/21/89/44/653218944.db2.gz HCUGTIVOOKDVJZ-BZUAXINKSA-N 1 0 394.313 2.401 20 0 GEADRO CN(CCCN(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1)CC[NH+](C)C ZINC000808133099 653220269 /nfs/dbraw/zinc/22/02/69/653220269.db2.gz MPDLHKSJFWFYSX-UHFFFAOYSA-N 1 0 381.464 2.300 20 0 GEADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccc(Br)cc2)CCCOC1 ZINC000770692612 653220861 /nfs/dbraw/zinc/22/08/61/653220861.db2.gz OYBWKHRYRXGNMJ-MRXNPFEDSA-N 1 0 385.258 2.090 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCCOC1 ZINC000770696266 653221294 /nfs/dbraw/zinc/22/12/94/653221294.db2.gz FWWUNKXKTCOSDM-DYVFJYSZSA-N 1 0 392.279 2.435 20 0 GEADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808161755 653221339 /nfs/dbraw/zinc/22/13/39/653221339.db2.gz YOJDDNINGWONFN-MELADBBJSA-N 1 0 377.535 2.444 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CN1c2cccc(Br)c2C(=O)C1=O ZINC000808191547 653221833 /nfs/dbraw/zinc/22/18/33/653221833.db2.gz OESMQMOESBQQKZ-GXTWGEPZSA-N 1 0 392.297 2.495 20 0 GEADRO Cc1nc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)sc1Br ZINC000641586228 653223083 /nfs/dbraw/zinc/22/30/83/653223083.db2.gz GTGHZWKYQCWLFK-UHFFFAOYSA-N 1 0 394.360 2.320 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1OC ZINC000641585857 653223114 /nfs/dbraw/zinc/22/31/14/653223114.db2.gz JBIJPVFSZKDYTG-UHFFFAOYSA-N 1 0 388.917 2.464 20 0 GEADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000808226405 653223242 /nfs/dbraw/zinc/22/32/42/653223242.db2.gz CLJYWKIHABNFED-GFCCVEGCSA-N 1 0 378.274 2.171 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@H]1CC1(Cl)Cl ZINC000808232074 653223288 /nfs/dbraw/zinc/22/32/88/653223288.db2.gz UEJCNJIXIBXXMF-ZDUSSCGKSA-N 1 0 375.300 2.405 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1C(F)F ZINC000641623564 653224780 /nfs/dbraw/zinc/22/47/80/653224780.db2.gz JAABINJIGMEIJX-WCQYABFASA-N 1 0 378.489 2.407 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000774102954 653224791 /nfs/dbraw/zinc/22/47/91/653224791.db2.gz SDYQTOGHQBQJJR-OLZOCXBDSA-N 1 0 397.317 2.470 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccnc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000774105228 653225132 /nfs/dbraw/zinc/22/51/32/653225132.db2.gz XOIYYNJKSQYRFW-NWDGAFQWSA-N 1 0 383.290 2.162 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000682953566 653227399 /nfs/dbraw/zinc/22/73/99/653227399.db2.gz LHQXKULVEIHOIC-CQSZACIVSA-N 1 0 399.314 2.115 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000808334867 653227674 /nfs/dbraw/zinc/22/76/74/653227674.db2.gz XYRRNNFSTWAPDM-UHFFFAOYSA-N 1 0 390.962 2.112 20 0 GEADRO CSc1ccc(S(=O)(=O)NCCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000641650991 653227707 /nfs/dbraw/zinc/22/77/07/653227707.db2.gz ZQFYIFKGAAYBBJ-UHFFFAOYSA-N 1 0 391.990 2.368 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000683156912 653228675 /nfs/dbraw/zinc/22/86/75/653228675.db2.gz KLRYWRMMSXXMBJ-GFCCVEGCSA-N 1 0 376.320 2.109 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641662753 653229184 /nfs/dbraw/zinc/22/91/84/653229184.db2.gz KBVFHZRVEBCKED-HNNXBMFYSA-N 1 0 387.571 2.139 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000641660959 653229264 /nfs/dbraw/zinc/22/92/64/653229264.db2.gz ORTRBOOVLYXLHQ-UHFFFAOYSA-N 1 0 387.571 2.141 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000774270553 653231688 /nfs/dbraw/zinc/23/16/88/653231688.db2.gz LNHOVKQWCNJMKR-CYBMUJFWSA-N 1 0 395.301 2.035 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000683338720 653233936 /nfs/dbraw/zinc/23/39/36/653233936.db2.gz KUABXAGLERYQRJ-ZDUSSCGKSA-N 1 0 376.906 2.128 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)cn1 ZINC000641786428 653233945 /nfs/dbraw/zinc/23/39/45/653233945.db2.gz QJCUYYWKHOEPKR-WBVHZDCISA-N 1 0 397.361 2.291 20 0 GEADRO Brc1csc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000641789920 653234272 /nfs/dbraw/zinc/23/42/72/653234272.db2.gz ZEHXEADKMKLKMW-HNNXBMFYSA-N 1 0 388.375 2.397 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000641821236 653234559 /nfs/dbraw/zinc/23/45/59/653234559.db2.gz ITVTZPFGBWXCSD-UHFFFAOYSA-N 1 0 381.782 2.463 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000641821167 653234603 /nfs/dbraw/zinc/23/46/03/653234603.db2.gz GWHRRMBMJUWYJK-UHFFFAOYSA-N 1 0 379.258 2.179 20 0 GEADRO COc1ccc(OC)c([C@H](O)C[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000808802235 653235546 /nfs/dbraw/zinc/23/55/46/653235546.db2.gz KKDRWLIDEHRJQU-OAHLLOKOSA-N 1 0 384.274 2.328 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1Br ZINC000683663853 653237541 /nfs/dbraw/zinc/23/75/41/653237541.db2.gz LGHAXJSBCHLQTI-GFCCVEGCSA-N 1 0 383.290 2.080 20 0 GEADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000774478212 653238848 /nfs/dbraw/zinc/23/88/48/653238848.db2.gz ZVGBCUQLZAAPNY-WHOFXGATSA-N 1 0 398.301 2.432 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1O ZINC000642338533 653242435 /nfs/dbraw/zinc/24/24/35/653242435.db2.gz DYVPHSPGGFHCGJ-CQSZACIVSA-N 1 0 385.302 2.460 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1O ZINC000642338532 653242636 /nfs/dbraw/zinc/24/26/36/653242636.db2.gz DYVPHSPGGFHCGJ-AWEZNQCLSA-N 1 0 385.302 2.460 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC[C@@H]1[NH3+] ZINC000642408058 653247479 /nfs/dbraw/zinc/24/74/79/653247479.db2.gz NNJABNUPNFQPKM-JQWIXIFHSA-N 1 0 380.901 2.152 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC(O)(c3cccc(Br)c3)C2)C1 ZINC000856920104 653252032 /nfs/dbraw/zinc/25/20/32/653252032.db2.gz PVCWORINWFXGON-JNSHFYNHSA-N 1 0 382.302 2.002 20 0 GEADRO CCc1n[nH]c(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)c1Br ZINC000684060727 653253847 /nfs/dbraw/zinc/25/38/47/653253847.db2.gz FASZXUVGTZCLJV-BETUJISGSA-N 1 0 398.349 2.023 20 0 GEADRO Cc1n[nH]c(C(=O)NCc2ccncc2OCCC[NH+](C)C)c1Br ZINC000809190188 653254128 /nfs/dbraw/zinc/25/41/28/653254128.db2.gz LTTFWPCECFTQOQ-UHFFFAOYSA-N 1 0 396.289 2.136 20 0 GEADRO Cc1nc(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cs1 ZINC000684096127 653256785 /nfs/dbraw/zinc/25/67/85/653256785.db2.gz NWQFORLFHDHUIW-UHFFFAOYSA-N 1 0 375.585 2.233 20 0 GEADRO CN(C(=O)NCC[C@@H]1CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000856946116 653259171 /nfs/dbraw/zinc/25/91/71/653259171.db2.gz FACYZXBXTVBFJH-UKRRQHHQSA-N 1 0 377.360 2.380 20 0 GEADRO C[C@H](CNC(=O)c1c(Br)nc2n1CCOC2)[N@@H+]1CCC[C@H](C)C1 ZINC000856966922 653263454 /nfs/dbraw/zinc/26/34/54/653263454.db2.gz GYKVWOVJEVLVOB-NWDGAFQWSA-N 1 0 385.306 2.026 20 0 GEADRO C[C@H](CNC(=O)c1c(Br)nc2n1CCOC2)[N@@H+]1CCCC[C@@H]1C ZINC000856960249 653263638 /nfs/dbraw/zinc/26/36/38/653263638.db2.gz NNPXKMZJDQPUSC-NWDGAFQWSA-N 1 0 385.306 2.169 20 0 GEADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000856990407 653267409 /nfs/dbraw/zinc/26/74/09/653267409.db2.gz BOTAXSQBJKZPKN-UHFFFAOYSA-N 1 0 386.290 2.123 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857018242 653275749 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398.276 2.388 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000874175137 653280699 /nfs/dbraw/zinc/28/06/99/653280699.db2.gz NKIFGWOOMWTUOI-IUODEOHRSA-N 1 0 380.286 2.249 20 0 GEADRO C[C@H](CNC(=O)c1c(Br)nc2n1CCOC2)[NH+]1CCC(C)CC1 ZINC000857076181 653282697 /nfs/dbraw/zinc/28/26/97/653282697.db2.gz PVAZPWXJBZUEHZ-GFCCVEGCSA-N 1 0 385.306 2.026 20 0 GEADRO O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000775035038 653282783 /nfs/dbraw/zinc/28/27/83/653282783.db2.gz XSPNXLMCFGEQBO-MRXNPFEDSA-N 1 0 389.249 2.368 20 0 GEADRO O=C(c1c(Br)nc2n1CCOC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000857107957 653283874 /nfs/dbraw/zinc/28/38/74/653283874.db2.gz CCMIJAKASXGGBM-ZDUSSCGKSA-N 1 0 397.317 2.266 20 0 GEADRO O=C(c1c(Br)nc2n1CCOC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000857130029 653286898 /nfs/dbraw/zinc/28/68/98/653286898.db2.gz NRFXZDXEOPYVOQ-CYBMUJFWSA-N 1 0 397.317 2.266 20 0 GEADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000775150589 653291762 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VTKZGWFHUFBCRR-OLZOCXBDSA-N 1 0 382.302 2.346 20 0 GEADRO CSC1(CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC[NH+](C)CC1 ZINC000811898505 653411980 /nfs/dbraw/zinc/41/19/80/653411980.db2.gz JCLODDCLJSBARE-MCIONIFRSA-N 1 0 375.629 2.493 20 0 GEADRO CSC1(CNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000811933634 653413181 /nfs/dbraw/zinc/41/31/81/653413181.db2.gz UHUQGDPGHVIPFK-ZDUSSCGKSA-N 1 0 389.587 2.240 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)nc1F ZINC000859157628 653414232 /nfs/dbraw/zinc/41/42/32/653414232.db2.gz XATUCVGTDRKTGK-MNOVXSKESA-N 1 0 392.294 2.231 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000811962215 653414248 /nfs/dbraw/zinc/41/42/48/653414248.db2.gz NFRFKJGQOJCFOT-CYBMUJFWSA-N 1 0 389.949 2.441 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ncc(Br)s1 ZINC000876286523 653419731 /nfs/dbraw/zinc/41/97/31/653419731.db2.gz SNMLNRDVUQCBEA-LLVKDONJSA-N 1 0 391.335 2.158 20 0 GEADRO 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/nfs/dbraw/zinc/43/11/20/653431120.db2.gz PGHBPRINQBKXNT-QGZVFWFLSA-N 1 0 383.901 2.369 20 0 GEADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1sc(C)cc1Br ZINC000876474205 653431202 /nfs/dbraw/zinc/43/12/02/653431202.db2.gz BJHIFYSSHGMCEW-HNNXBMFYSA-N 1 0 391.331 2.238 20 0 GEADRO O=Cc1cnc2c(Br)cc(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn12 ZINC000859284465 653433102 /nfs/dbraw/zinc/43/31/02/653433102.db2.gz KDQVOJZBTPDBRG-ZDUSSCGKSA-N 1 0 391.269 2.123 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000876512963 653433278 /nfs/dbraw/zinc/43/32/78/653433278.db2.gz DINKGRZEDSGPLZ-GOEBONIOSA-N 1 0 394.313 2.137 20 0 GEADRO CN1CCN(C(=O)c2cnc(-c3ccccc3Br)s2)[C@H](C[NH3+])C1 ZINC000876541592 653434385 /nfs/dbraw/zinc/43/43/85/653434385.db2.gz BICVXRAXIVLYCB-LLVKDONJSA-N 1 0 395.326 2.288 20 0 GEADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000876556873 653435109 /nfs/dbraw/zinc/43/51/09/653435109.db2.gz WUCQOONXGMDMLZ-QNTSXVQBSA-N 1 0 380.286 2.258 20 0 GEADRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000876567094 653435977 /nfs/dbraw/zinc/43/59/77/653435977.db2.gz BOFVZPDGUIGAIR-WCBMZHEXSA-N 1 0 375.782 2.391 20 0 GEADRO COC[C@]1(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C[NH2+]CCO1 ZINC000876570486 653436022 /nfs/dbraw/zinc/43/60/22/653436022.db2.gz DQEJENSHRQZVNU-KRWDZBQOSA-N 1 0 381.885 2.331 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCC[N@H+](C)Cc1ccccc1 ZINC000837423659 653436090 /nfs/dbraw/zinc/43/60/90/653436090.db2.gz HSFLQPAECQNEGL-AWEZNQCLSA-N 1 0 382.507 2.090 20 0 GEADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCNC(=O)c1cccs1 ZINC000876596310 653437109 /nfs/dbraw/zinc/43/71/09/653437109.db2.gz KTSARUZGSVUROI-UHFFFAOYSA-N 1 0 378.523 2.140 20 0 GEADRO C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000876592924 653437130 /nfs/dbraw/zinc/43/71/30/653437130.db2.gz BJXFTRCCEXFMQI-ZFWWWQNUSA-N 1 0 387.311 2.202 20 0 GEADRO COc1ccc(I)c(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)c1 ZINC000876628378 653438729 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GEADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876635803 653440211 /nfs/dbraw/zinc/44/02/11/653440211.db2.gz JHYVGZYGQVNYRD-WKEGUHRASA-N 1 0 384.139 2.456 20 0 GEADRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000876641203 653440763 /nfs/dbraw/zinc/44/07/63/653440763.db2.gz KTBURYWJEHQFMC-NEPJUHHUSA-N 1 0 378.274 2.224 20 0 GEADRO CC(C)CC[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000876664117 653441970 /nfs/dbraw/zinc/44/19/70/653441970.db2.gz NQDTUYYZPXWLLG-CYBMUJFWSA-N 1 0 376.906 2.465 20 0 GEADRO C[C@@H]([NH2+]CCN1CCOC1=O)c1ccc(Br)cc1OCCCO ZINC000812885035 653445098 /nfs/dbraw/zinc/44/50/98/653445098.db2.gz IDPOYCPIPUNARB-GFCCVEGCSA-N 1 0 387.274 2.313 20 0 GEADRO CN(CCc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000812884594 653445156 /nfs/dbraw/zinc/44/51/56/653445156.db2.gz VIBTVWGJAMTSBV-IRXDYDNUSA-N 1 0 396.329 2.496 20 0 GEADRO CCN(C[C@H]1CC[N@H+](Cc2cccc(S(N)(=O)=O)c2)C1)CC(F)(F)F ZINC000876780525 653447263 /nfs/dbraw/zinc/44/72/63/653447263.db2.gz HJUANBAMFPWKKX-CQSZACIVSA-N 1 0 379.448 2.040 20 0 GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876778130 653447449 /nfs/dbraw/zinc/44/74/49/653447449.db2.gz XGRBXNNQELYDPH-WMLDXEAASA-N 1 0 398.320 2.477 20 0 GEADRO CSc1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000876851537 653450872 /nfs/dbraw/zinc/45/08/72/653450872.db2.gz LFNXVQDFDHUZKI-CYBMUJFWSA-N 1 0 384.343 2.291 20 0 GEADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000876892993 653452185 /nfs/dbraw/zinc/45/21/85/653452185.db2.gz HBOLOKZMILLYAF-AILJIYEFSA-N 1 0 392.297 2.004 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc4ccnc(Cl)c4s3)C2)nn1 ZINC000876919187 653454439 /nfs/dbraw/zinc/45/44/39/653454439.db2.gz SKWLZMWYVPQHHB-LBPRGKRZSA-N 1 0 376.873 2.477 20 0 GEADRO [NH3+]CC1(O)CCN(C(=O)c2cnc(-c3ccccc3Br)s2)CC1 ZINC000876927100 653455051 /nfs/dbraw/zinc/45/50/51/653455051.db2.gz QSHADGCITPXMMC-UHFFFAOYSA-N 1 0 396.310 2.498 20 0 GEADRO CCC1(CC)CN(C(=O)NCCCCCCC[NH+](C)C)CCS1(=O)=O ZINC000813046181 653455268 /nfs/dbraw/zinc/45/52/68/653455268.db2.gz DELJXIVBQOPXFZ-UHFFFAOYSA-N 1 0 375.579 2.497 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc(Br)cnc3F)C2)C1 ZINC000876945924 653455381 /nfs/dbraw/zinc/45/53/81/653455381.db2.gz CZAMKQGLBATPHI-QKCSRTOESA-N 1 0 386.265 2.342 20 0 GEADRO C[C@]12CCN(C(=O)[C@H](F)[C@@H]3CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000876959162 653455930 /nfs/dbraw/zinc/45/59/30/653455930.db2.gz PCQSSRMYGNWRIC-BFLSOPEQSA-N 1 0 398.114 2.289 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000876952762 653456019 /nfs/dbraw/zinc/45/60/19/653456019.db2.gz WBDKSYYKSKKRPI-QWHCGFSZSA-N 1 0 387.933 2.322 20 0 GEADRO Nc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc(Br)n1 ZINC000876966841 653456656 /nfs/dbraw/zinc/45/66/56/653456656.db2.gz XAKZFZJZSILSPW-ZIAGYGMSSA-N 1 0 393.260 2.441 20 0 GEADRO Nc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc(Br)n1 ZINC000876964291 653456749 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Cn1ncc(Cl)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 ZINC000862538085 653688207 /nfs/dbraw/zinc/68/82/07/653688207.db2.gz MGGQLQORFQUCRB-ZPFDUUQYSA-N 1 0 376.810 2.305 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000862552055 653688427 /nfs/dbraw/zinc/68/84/27/653688427.db2.gz RZXOLYABZUFRTE-AWEZNQCLSA-N 1 0 382.555 2.378 20 0 GEADRO Nc1c(Cl)cc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1Cl ZINC000816746035 653692489 /nfs/dbraw/zinc/69/24/89/653692489.db2.gz GBGCEIUPMXMKNZ-UHFFFAOYSA-N 1 0 387.311 2.298 20 0 GEADRO Cn1cc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(Br)n1 ZINC000880041532 653693572 /nfs/dbraw/zinc/69/35/72/653693572.db2.gz MHVWVDNHKBIPRU-CYBMUJFWSA-N 1 0 380.290 2.477 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C(F)(F)F)n1 ZINC000862791515 653695247 /nfs/dbraw/zinc/69/52/47/653695247.db2.gz DXGOOTOAJAXIDX-DOMZBBRYSA-N 1 0 379.448 2.440 20 0 GEADRO CC[C@@H](C)[NH+]1CCN(C(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000840816327 653695398 /nfs/dbraw/zinc/69/53/98/653695398.db2.gz UAHXJMWABXOIER-CQSZACIVSA-N 1 0 384.571 2.050 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](O)c1ccccc1Br ZINC000840832836 653695847 /nfs/dbraw/zinc/69/58/47/653695847.db2.gz NTYHETNHILRBGJ-DOMZBBRYSA-N 1 0 386.359 2.431 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1nc(F)ccc1Br ZINC000816928357 653696097 /nfs/dbraw/zinc/69/60/97/653696097.db2.gz DRKXARRDAKYWND-LLVKDONJSA-N 1 0 386.265 2.214 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000880131000 653698645 /nfs/dbraw/zinc/69/86/45/653698645.db2.gz AHAHVEYGLLCUNK-HUUCEWRRSA-N 1 0 377.286 2.126 20 0 GEADRO CC(C)(O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000880144631 653699312 /nfs/dbraw/zinc/69/93/12/653699312.db2.gz HEKZXNZLUGXVRF-NSHDSACASA-N 1 0 388.249 2.323 20 0 GEADRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000840904070 653700157 /nfs/dbraw/zinc/70/01/57/653700157.db2.gz JUKRUCDWEQBSEW-MNOVXSKESA-N 1 0 379.345 2.470 20 0 GEADRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000840909098 653700312 /nfs/dbraw/zinc/70/03/12/653700312.db2.gz PDUYZJCGRPMTLT-HNNXBMFYSA-N 1 0 399.310 2.228 20 0 GEADRO Cc1c(Cl)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)sc1S(N)(=O)=O ZINC000863032981 653700519 /nfs/dbraw/zinc/70/05/19/653700519.db2.gz SKBPRMYQFCAIPO-LLVKDONJSA-N 1 0 391.946 2.104 20 0 GEADRO CC[C@H](Sc1nc(CC(=O)NCC[N@@H+]2CCCC2(C)C)cs1)C(N)=O ZINC000880250952 653701881 /nfs/dbraw/zinc/70/18/81/653701881.db2.gz XSZGICPBPAFLAN-ZDUSSCGKSA-N 1 0 384.571 2.032 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnc(Br)cc2C)[C@@H](C)C1 ZINC000785004108 653702545 /nfs/dbraw/zinc/70/25/45/653702545.db2.gz SYTHLMOHTGOMCR-GXTWGEPZSA-N 1 0 397.317 2.280 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000785030292 653702955 /nfs/dbraw/zinc/70/29/55/653702955.db2.gz ZXYFEIKHLFEGSY-TZMCWYRMSA-N 1 0 395.301 2.034 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c(C)c1Cl ZINC000840951986 653703432 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2.211 20 0 GEADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000841016389 653705132 /nfs/dbraw/zinc/70/51/32/653705132.db2.gz UYTPGXQURRTWAC-CMPLNLGQSA-N 1 0 382.258 2.436 20 0 GEADRO C[C@@H](NC(=O)CN(CC(N)=O)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000880393971 653705223 /nfs/dbraw/zinc/70/52/23/653705223.db2.gz PQVKXVAFFYHXID-LLVKDONJSA-N 1 0 388.295 2.137 20 0 GEADRO CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000880427120 653705757 /nfs/dbraw/zinc/70/57/57/653705757.db2.gz BNSCCZSSKLBQEW-KBPBESRZSA-N 1 0 391.331 2.205 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCO1 ZINC000841094322 653706180 /nfs/dbraw/zinc/70/61/80/653706180.db2.gz XLKXQFWUJDBQKQ-BLLLJJGKSA-N 1 0 384.933 2.473 20 0 GEADRO O=C1CO[C@]2(CC[N@@H+](CC3(Br)CC3)C2)CN1Cc1ccccc1 ZINC000880491028 653706867 /nfs/dbraw/zinc/70/68/67/653706867.db2.gz CXLQGHVZMBMLRN-SFHVURJKSA-N 1 0 379.298 2.417 20 0 GEADRO CC1(NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC[NH2+]CC1 ZINC000841131950 653707110 /nfs/dbraw/zinc/70/71/10/653707110.db2.gz QYJAZBRFPKCJMN-UHFFFAOYSA-N 1 0 389.905 2.027 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000841134349 653707240 /nfs/dbraw/zinc/70/72/40/653707240.db2.gz VMOFKRMGTBSUSL-UHFFFAOYSA-N 1 0 391.921 2.212 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142910 653707480 /nfs/dbraw/zinc/70/74/80/653707480.db2.gz TVOWZEFVVPEDOO-ZETCQYMHSA-N 1 0 378.068 2.432 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc3nc(SC)sc3c2)C1 ZINC000841144813 653707800 /nfs/dbraw/zinc/70/78/00/653707800.db2.gz FLUPDANMFRGRRD-LLVKDONJSA-N 1 0 378.523 2.415 20 0 GEADRO O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841148725 653707869 /nfs/dbraw/zinc/70/78/69/653707869.db2.gz AEKUMIWKWJIRBZ-HNNXBMFYSA-N 1 0 376.254 2.409 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2s1 ZINC000841187431 653709668 /nfs/dbraw/zinc/70/96/68/653709668.db2.gz VSXMCDYJCJMLBY-PWSUYJOCSA-N 1 0 376.507 2.310 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)cc1Br ZINC000841188425 653709702 /nfs/dbraw/zinc/70/97/02/653709702.db2.gz DMUJTTIRDVALLA-UHFFFAOYSA-N 1 0 384.274 2.125 20 0 GEADRO CN(C(=O)C(=O)Nc1c(F)cc(Br)cc1F)C1CCC([NH3+])CC1 ZINC000841188395 653709724 /nfs/dbraw/zinc/70/97/24/653709724.db2.gz CGHUMWFQYVAEBX-UHFFFAOYSA-N 1 0 390.228 2.394 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000841196988 653710025 /nfs/dbraw/zinc/71/00/25/653710025.db2.gz QAOMQTNVKLDUHY-GFCCVEGCSA-N 1 0 383.290 2.372 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc3ccccc3nc2Br)CC[NH2+]1 ZINC000841228472 653711243 /nfs/dbraw/zinc/71/12/43/653711243.db2.gz DVXKYEQVGVQNTE-JQWIXIFHSA-N 1 0 391.269 2.193 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)C1CC([NH3+])C1 ZINC000841258231 653712631 /nfs/dbraw/zinc/71/26/31/653712631.db2.gz AKLISWOJLCKENU-UHFFFAOYSA-N 1 0 376.254 2.489 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@@H](C)CC[NH+](C)C)c(Br)c1 ZINC000785581101 653712869 /nfs/dbraw/zinc/71/28/69/653712869.db2.gz LNCSILLYCFOVLE-NSHDSACASA-N 1 0 386.290 2.375 20 0 GEADRO CN(CC[NH3+])C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841278342 653712948 /nfs/dbraw/zinc/71/29/48/653712948.db2.gz MNDMODXJYJSYAQ-JTQLQIEISA-N 1 0 376.309 2.328 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000841335191 653713260 /nfs/dbraw/zinc/71/32/60/653713260.db2.gz OLADINMPTAYTCZ-RYUDHWBXSA-N 1 0 398.223 2.404 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880800760 653714179 /nfs/dbraw/zinc/71/41/79/653714179.db2.gz APHZKAZVFJSLJM-UHFFFAOYSA-N 1 0 386.290 2.474 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880802905 653714588 /nfs/dbraw/zinc/71/45/88/653714588.db2.gz VRRWSBFVPTXALX-GFCCVEGCSA-N 1 0 397.317 2.141 20 0 GEADRO C[N@H+](CCN1C(=O)N[C@@]2(CCc3cc(Br)ccc3C2)C1=O)C1CC1 ZINC000863502622 653714643 /nfs/dbraw/zinc/71/46/43/653714643.db2.gz BNPNLSLVLVGGDX-GOSISDBHSA-N 1 0 392.297 2.323 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cnc2ccccc2c1Br ZINC000880941123 653717635 /nfs/dbraw/zinc/71/76/35/653717635.db2.gz UPLHEQLUHRUOLH-NSHDSACASA-N 1 0 379.258 2.185 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC000841454534 653717687 /nfs/dbraw/zinc/71/76/87/653717687.db2.gz BHXVYWBKKTYLIB-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000880966684 653718315 /nfs/dbraw/zinc/71/83/15/653718315.db2.gz ZXLRIGOXIUQSQD-UHFFFAOYSA-N 1 0 389.297 2.070 20 0 GEADRO O=C(NCc1noc([C@@H](F)[C@H]2CC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000863674804 653718601 /nfs/dbraw/zinc/71/86/01/653718601.db2.gz BOKLVNPGVWSDCU-GWCFXTLKSA-N 1 0 383.221 2.382 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)NCCSC(F)(F)F)CC2)CC1 ZINC000817773045 653719149 /nfs/dbraw/zinc/71/91/49/653719149.db2.gz ICIVRRLINCKABL-UHFFFAOYSA-N 1 0 382.496 2.441 20 0 GEADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000863765530 653719730 /nfs/dbraw/zinc/71/97/30/653719730.db2.gz HURRESBTWNRLRL-IINYFYTJSA-N 1 0 386.265 2.057 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1Br ZINC000881136919 653720958 /nfs/dbraw/zinc/72/09/58/653720958.db2.gz ZBCSYVSYLDPXHZ-UHFFFAOYSA-N 1 0 389.269 2.072 20 0 GEADRO C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(C(F)(F)F)nc1Cl ZINC000817861723 653721307 /nfs/dbraw/zinc/72/13/07/653721307.db2.gz GUXLQBXOJKPIER-ZYHUDNBSSA-N 1 0 376.810 2.321 20 0 GEADRO C[C@H]([NH3+])c1cn([C@@H](C)C(=O)Nc2ccc(I)cc2)nn1 ZINC000881148178 653721617 /nfs/dbraw/zinc/72/16/17/653721617.db2.gz VHSTUEKLLSUICQ-IUCAKERBSA-N 1 0 385.209 2.102 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC2([NH2+]C)CCC2)ccc1Cl ZINC000863922823 653722258 /nfs/dbraw/zinc/72/22/58/653722258.db2.gz GFWSCMFHLAFSDG-UHFFFAOYSA-N 1 0 387.933 2.242 20 0 GEADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccnc1I)C2 ZINC000863920923 653722261 /nfs/dbraw/zinc/72/22/61/653722261.db2.gz OPJIFOYEEZGKCC-OAHLLOKOSA-N 1 0 385.249 2.244 20 0 GEADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccc3scnc32)CC1 ZINC000841501886 653722382 /nfs/dbraw/zinc/72/23/82/653722382.db2.gz PTJNLQOPVIJJHV-UHFFFAOYSA-N 1 0 383.539 2.418 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc2scnc21 ZINC000841507438 653723023 /nfs/dbraw/zinc/72/30/23/653723023.db2.gz IMKJWTOUIGUVRO-MCIONIFRSA-N 1 0 381.523 2.169 20 0 GEADRO O=C(CCNC(=O)OCC(F)(F)F)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000818006427 653723730 /nfs/dbraw/zinc/72/37/30/653723730.db2.gz BISXPHSWGIJIHD-UHFFFAOYSA-N 1 0 380.392 2.227 20 0 GEADRO C[C@H]1C[C@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[N@@H+]1C ZINC000881270170 653723826 /nfs/dbraw/zinc/72/38/26/653723826.db2.gz PWCXUFRPXFVXDP-GXSJLCMTSA-N 1 0 397.273 2.384 20 0 GEADRO CC[NH+](CC)CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881270355 653723985 /nfs/dbraw/zinc/72/39/85/653723985.db2.gz RZHXCYDPMJOPMH-UHFFFAOYSA-N 1 0 385.262 2.243 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000818022142 653724025 /nfs/dbraw/zinc/72/40/25/653724025.db2.gz SEKPTIMXMFPNGB-MBNYWOFBSA-N 1 0 387.933 2.036 20 0 GEADRO Cn1cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c(I)n1 ZINC000864051937 653724865 /nfs/dbraw/zinc/72/48/65/653724865.db2.gz WKCKPUWMQBAAIM-QWHCGFSZSA-N 1 0 375.254 2.462 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000864062762 653725391 /nfs/dbraw/zinc/72/53/91/653725391.db2.gz SWYFRBWDTHFQQJ-UHFFFAOYSA-N 1 0 397.317 2.266 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C[C@H](C)[N@H+]1C ZINC000881274097 653726184 /nfs/dbraw/zinc/72/61/84/653726184.db2.gz WPVYPSKFTSELCK-AOOOYVTPSA-N 1 0 397.273 2.336 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000841529080 653727789 /nfs/dbraw/zinc/72/77/89/653727789.db2.gz ATWVXBOODDDKEF-UHFFFAOYSA-N 1 0 383.283 2.215 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@H]2CN(C3CC3)C(=O)O2)nn1)c1ccc(Br)cc1 ZINC000881358013 653728429 /nfs/dbraw/zinc/72/84/29/653728429.db2.gz FEIZLCVGLOJIQT-DZGCQCFKSA-N 1 0 392.257 2.072 20 0 GEADRO [NH3+]CCSCc1cn(C[C@H](O)c2ccc(F)c(Br)c2)nn1 ZINC000881416667 653730227 /nfs/dbraw/zinc/73/02/27/653730227.db2.gz AHBNKIGXKPYLNI-ZDUSSCGKSA-N 1 0 375.267 2.105 20 0 GEADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)[C@H]1C[NH3+] ZINC000818519082 653732348 /nfs/dbraw/zinc/73/23/48/653732348.db2.gz VAUXEBUOXKXZOW-LRDDRELGSA-N 1 0 385.917 2.079 20 0 GEADRO COc1ncc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1Br ZINC000881478415 653732385 /nfs/dbraw/zinc/73/23/85/653732385.db2.gz JCTQIUXAGSGMHV-CQSZACIVSA-N 1 0 398.301 2.226 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000818531924 653733067 /nfs/dbraw/zinc/73/30/67/653733067.db2.gz XHCFJNDGCLZSPM-UHFFFAOYSA-N 1 0 387.933 2.181 20 0 GEADRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000818591728 653734255 /nfs/dbraw/zinc/73/42/55/653734255.db2.gz WCZVJWOHHDODGA-OAHLLOKOSA-N 1 0 376.400 2.196 20 0 GEADRO Cn1nc(I)cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000864479528 653737480 /nfs/dbraw/zinc/73/74/80/653737480.db2.gz FKSGEJASPZTCNL-CYBMUJFWSA-N 1 0 398.248 2.057 20 0 GEADRO Cc1cc(F)ccc1[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000818951361 653739171 /nfs/dbraw/zinc/73/91/71/653739171.db2.gz CNOWVNJCWIKKMK-QGZVFWFLSA-N 1 0 386.876 2.389 20 0 GEADRO O=C(CC[NH2+]C[C@H]1CN2CCC[C@H]2CO1)Nc1ccc(Br)cc1 ZINC000818986355 653739841 /nfs/dbraw/zinc/73/98/41/653739841.db2.gz MERCRELWHKFRMB-HOTGVXAUSA-N 1 0 382.302 2.231 20 0 GEADRO CC(C)n1ncc(C(=O)NCC(C)(C)[NH+](C)C)c1I ZINC000864525694 653740373 /nfs/dbraw/zinc/74/03/73/653740373.db2.gz JBGDIZODIFWJCX-UHFFFAOYSA-N 1 0 378.258 2.139 20 0 GEADRO COC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000819001936 653740562 /nfs/dbraw/zinc/74/05/62/653740562.db2.gz GJXKFZJJONIJGD-KBPBESRZSA-N 1 0 387.274 2.009 20 0 GEADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000819003010 653740773 /nfs/dbraw/zinc/74/07/73/653740773.db2.gz MOWYRTGBMXZPQI-ZIAGYGMSSA-N 1 0 387.274 2.009 20 0 GEADRO C[NH+](C)CCOc1ccc(CNc2ccc3nnc(Br)n3n2)cc1 ZINC000881818706 653741422 /nfs/dbraw/zinc/74/14/22/653741422.db2.gz RNWVYZFDGAGTAV-UHFFFAOYSA-N 1 0 391.273 2.439 20 0 GEADRO Cc1ccc([C@@H](O)C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000819053914 653741550 /nfs/dbraw/zinc/74/15/50/653741550.db2.gz HVCNVSZMMQTABU-HNNXBMFYSA-N 1 0 380.432 2.180 20 0 GEADRO O=C(NCC[NH+]1CCCC1)c1cc(Br)ncc1Br ZINC000864610318 653742132 /nfs/dbraw/zinc/74/21/32/653742132.db2.gz JDFHWGBUXJDKAW-UHFFFAOYSA-N 1 0 377.080 2.432 20 0 GEADRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000819059221 653742195 /nfs/dbraw/zinc/74/21/95/653742195.db2.gz JFQDOWHBQMMAET-XJKSGUPXSA-N 1 0 376.469 2.005 20 0 GEADRO O[C@@H](C[NH2+]CCOc1cccnc1)COc1cc(F)cc(Br)c1 ZINC000819068951 653742554 /nfs/dbraw/zinc/74/25/54/653742554.db2.gz LDNMZPWENHRDOD-AWEZNQCLSA-N 1 0 385.233 2.392 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000841927755 653742518 /nfs/dbraw/zinc/74/25/18/653742518.db2.gz QMOQHGLEUBPXHX-LLVKDONJSA-N 1 0 384.274 2.035 20 0 GEADRO C[C@H](NC(=O)NCCCN1CC[NH2+]CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000841921941 653742599 /nfs/dbraw/zinc/74/25/99/653742599.db2.gz ZPBZMPCPOUDZFS-LRDDRELGSA-N 1 0 389.327 2.010 20 0 GEADRO C[C@@H](C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)CN1CCOCC1 ZINC000819089851 653743026 /nfs/dbraw/zinc/74/30/26/653743026.db2.gz OKDVJTPZBJOWRP-LRDDRELGSA-N 1 0 375.282 2.180 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(Br)c1 ZINC000841988552 653743068 /nfs/dbraw/zinc/74/30/68/653743068.db2.gz LNALOZAQZGUNNV-HZMBPMFUSA-N 1 0 384.274 2.033 20 0 GEADRO COC[C@]1(CNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000841997255 653743255 /nfs/dbraw/zinc/74/32/55/653743255.db2.gz NHNZXMVQPSXOTL-GOEBONIOSA-N 1 0 376.284 2.095 20 0 GEADRO COC[C@]1(CNC(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000841993404 653743290 /nfs/dbraw/zinc/74/32/90/653743290.db2.gz JXBSONOUNCMELP-RGYTYGDFSA-N 1 0 390.311 2.483 20 0 GEADRO C[C@@]12CCN(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)C[C@@H]1C2(Cl)Cl ZINC000841995736 653743295 /nfs/dbraw/zinc/74/32/95/653743295.db2.gz PATDGSHYAROSIT-UMPYDWHISA-N 1 0 389.371 2.428 20 0 GEADRO COC[C@]1(CNC(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000841993407 653743327 /nfs/dbraw/zinc/74/33/27/653743327.db2.gz JXBSONOUNCMELP-XQAQDONZSA-N 1 0 390.311 2.483 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000787761841 653743527 /nfs/dbraw/zinc/74/35/27/653743527.db2.gz RQDILYRXICROMO-ZDUSSCGKSA-N 1 0 388.269 2.370 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC000842011369 653743696 /nfs/dbraw/zinc/74/36/96/653743696.db2.gz SWOFULIYUAHWLF-GWCFXTLKSA-N 1 0 384.274 2.162 20 0 GEADRO COC(=O)[C@@H]1[C@H](C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1(F)F ZINC000787774408 653743850 /nfs/dbraw/zinc/74/38/50/653743850.db2.gz KSMVMMQJKMPWFU-XDTLVQLUSA-N 1 0 376.762 2.228 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)c3ccc(Cl)cc3Cl)C2=O)n(C)n1 ZINC000819119695 653744072 /nfs/dbraw/zinc/74/40/72/653744072.db2.gz CDRCKROWFZOHJJ-GJZGRUSLSA-N 1 0 383.279 2.464 20 0 GEADRO Cn1nc(I)cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000864708913 653744043 /nfs/dbraw/zinc/74/40/43/653744043.db2.gz LUTSUOVDZNVSDK-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(Cl)cc3Cl)C2=O)n(C)n1 ZINC000819119694 653744110 /nfs/dbraw/zinc/74/41/10/653744110.db2.gz CDRCKROWFZOHJJ-CABCVRRESA-N 1 0 383.279 2.464 20 0 GEADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)CC[C@@H]3CC3(Cl)Cl)CC2)c1 ZINC000881862141 653744113 /nfs/dbraw/zinc/74/41/13/653744113.db2.gz KBGVHIXBONTZDQ-GFCCVEGCSA-N 1 0 394.324 2.126 20 0 GEADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000819146206 653744438 /nfs/dbraw/zinc/74/44/38/653744438.db2.gz NEQPPUCFRGSTKY-DOMZBBRYSA-N 1 0 380.432 2.055 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(Br)cc1Cl ZINC000819171270 653745043 /nfs/dbraw/zinc/74/50/43/653745043.db2.gz FYZGKKXQAYROPC-BXUZGUMPSA-N 1 0 396.734 2.477 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Cn1ccc(Br)cc1=O)c1ccsc1 ZINC000864806597 653745602 /nfs/dbraw/zinc/74/56/02/653745602.db2.gz KRNLNCJLRZMMCC-CYBMUJFWSA-N 1 0 384.299 2.091 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)s1 ZINC000819180236 653745596 /nfs/dbraw/zinc/74/55/96/653745596.db2.gz PHPWKHAXMQWKQD-CQSZACIVSA-N 1 0 392.905 2.451 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000819186909 653745753 /nfs/dbraw/zinc/74/57/53/653745753.db2.gz YLCAUOXBRFSOGK-LBPRGKRZSA-N 1 0 396.868 2.281 20 0 GEADRO C[C@@H](C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)S(C)(=O)=O ZINC000819191496 653745768 /nfs/dbraw/zinc/74/57/68/653745768.db2.gz RQXVDWLUAMBBDO-TVQRCGJNSA-N 1 0 384.723 2.333 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc21)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000819201065 653745966 /nfs/dbraw/zinc/74/59/66/653745966.db2.gz GJLCYSPVHFYTCD-STQMWFEESA-N 1 0 394.269 2.112 20 0 GEADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000819199824 653746002 /nfs/dbraw/zinc/74/60/02/653746002.db2.gz ZGQHTGNTSYAWCN-VDHUWJSZSA-N 1 0 382.551 2.354 20 0 GEADRO O[C@@H](C[NH2+]C[C@H]1COC2(CCOCC2)O1)COc1ccc(Cl)cc1Cl ZINC000819215492 653746401 /nfs/dbraw/zinc/74/64/01/653746401.db2.gz IDKKDGHGYSAMFS-KBPBESRZSA-N 1 0 392.279 2.245 20 0 GEADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000819238878 653747010 /nfs/dbraw/zinc/74/70/10/653747010.db2.gz NLSDVYDRGBQANJ-ZIAGYGMSSA-N 1 0 387.274 2.009 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819245073 653747142 /nfs/dbraw/zinc/74/71/42/653747142.db2.gz ROTCLKCDHZYXTN-HRCADAONSA-N 1 0 392.265 2.032 20 0 GEADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000819263121 653747315 /nfs/dbraw/zinc/74/73/15/653747315.db2.gz SHTFHUIFZGCHDS-HNNXBMFYSA-N 1 0 376.469 2.181 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cn2ccc(Br)cc2=O)C1 ZINC000864884804 653747653 /nfs/dbraw/zinc/74/76/53/653747653.db2.gz PNYOTKJCWJDDLL-CQSZACIVSA-N 1 0 384.318 2.239 20 0 GEADRO C[C@](O)(C[NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(Br)cc1F ZINC000819276099 653747694 /nfs/dbraw/zinc/74/76/94/653747694.db2.gz BELQHBAWBNIJGD-AWEZNQCLSA-N 1 0 394.306 2.353 20 0 GEADRO C[NH+](C)CCOCCNC(=O)NCCc1ccc(Br)cc1F ZINC000788018295 653747770 /nfs/dbraw/zinc/74/77/70/653747770.db2.gz RTEUMCOTXJBIOB-UHFFFAOYSA-N 1 0 376.270 2.008 20 0 GEADRO CN(CC[NH2+]C[C@H](O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000819283164 653747892 /nfs/dbraw/zinc/74/78/92/653747892.db2.gz QDSHSGBGHZKLGE-KRWDZBQOSA-N 1 0 386.876 2.423 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819290064 653748320 /nfs/dbraw/zinc/74/83/20/653748320.db2.gz SZFVZFGNRZINSN-LKTVYLICSA-N 1 0 381.325 2.334 20 0 GEADRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C1(S(C)(=O)=O)CC1 ZINC000819305054 653748627 /nfs/dbraw/zinc/74/86/27/653748627.db2.gz LJFJNXAQPPSWIG-QMTHXVAHSA-N 1 0 394.306 2.351 20 0 GEADRO CC(=O)N[C@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000864930220 653748873 /nfs/dbraw/zinc/74/88/73/653748873.db2.gz ALCFCEMWDDRNLU-GUYCJALGSA-N 1 0 396.329 2.474 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1Br ZINC000819310647 653749051 /nfs/dbraw/zinc/74/90/51/653749051.db2.gz YBCSNCXNTDXHJM-ZIAGYGMSSA-N 1 0 397.235 2.335 20 0 GEADRO C[C@](O)(C[NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1F ZINC000819311031 653749054 /nfs/dbraw/zinc/74/90/54/653749054.db2.gz HCGKKGJVAIKQCU-NHYWBVRUSA-N 1 0 394.306 2.210 20 0 GEADRO CC(=O)N[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)c1cccc(Br)c1 ZINC000864939617 653749033 /nfs/dbraw/zinc/74/90/33/653749033.db2.gz DOFYXBHEDVCFDK-HZPDHXFCSA-N 1 0 382.302 2.083 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000788153296 653750977 /nfs/dbraw/zinc/75/09/77/653750977.db2.gz FVOGHBPACBJFBN-VXGBXAGGSA-N 1 0 398.248 2.151 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000842298684 653751503 /nfs/dbraw/zinc/75/15/03/653751503.db2.gz BUTIIMZRGHORDA-ZDUSSCGKSA-N 1 0 386.949 2.063 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC[C@H](O)CN1CC[NH+](C)CC1 ZINC000819487127 653751487 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C[NH2+]C[C@@H](C)c1noc(-c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 ZINC000842576632 653759670 /nfs/dbraw/zinc/75/96/70/653759670.db2.gz HFTNERSVURQLTQ-LLVKDONJSA-N 1 0 384.889 2.497 20 0 GEADRO COCC(C)(C)[NH+]1CCN(Cn2c3cc(Br)ccc3oc2=O)CC1 ZINC000819895088 653760857 /nfs/dbraw/zinc/76/08/57/653760857.db2.gz HYSSUDUZBMNCKX-UHFFFAOYSA-N 1 0 398.301 2.357 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000788632776 653761346 /nfs/dbraw/zinc/76/13/46/653761346.db2.gz RYUWJVBUJXZFHJ-KGLIPLIRSA-N 1 0 389.315 2.333 20 0 GEADRO Ic1cnc2ccc(-c3nc([C@@H]4CCC[NH2+]C4)no3)cn12 ZINC000842670260 653762068 /nfs/dbraw/zinc/76/20/68/653762068.db2.gz RLCMUVQYEPABMW-SECBINFHSA-N 1 0 395.204 2.456 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c(C)c1Cl ZINC000788656773 653762147 /nfs/dbraw/zinc/76/21/47/653762147.db2.gz CRHNCLDVQPIGDK-UHFFFAOYSA-N 1 0 394.946 2.459 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000842689703 653763063 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CC(=O)NCC1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000865462064 653766143 /nfs/dbraw/zinc/76/61/43/653766143.db2.gz FBUZITJIUXLFFX-UHFFFAOYSA-N 1 0 396.329 2.463 20 0 GEADRO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Br)n1 ZINC000820107688 653766749 /nfs/dbraw/zinc/76/67/49/653766749.db2.gz VQRNAHAFCOOFKK-NHAGDIPZSA-N 1 0 375.270 2.043 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1(S(C)(=O)=O)CC1 ZINC000865564457 653768645 /nfs/dbraw/zinc/76/86/45/653768645.db2.gz MZQKENYDGTXJNL-GHMZBOCLSA-N 1 0 388.452 2.387 20 0 GEADRO COCC1(CNS(=O)(=O)c2ccc3nc(Cl)sc3c2)CC[NH2+]CC1 ZINC000842854969 653770567 /nfs/dbraw/zinc/77/05/67/653770567.db2.gz SQNRUVUEYYEOTH-UHFFFAOYSA-N 1 0 389.930 2.244 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H]2CCSC2)cc1Br ZINC000865652003 653771019 /nfs/dbraw/zinc/77/10/19/653771019.db2.gz LVXBKHRIXLPWKI-SNVBAGLBSA-N 1 0 379.345 2.329 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000842870953 653771158 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O=C1OC[C@]2(C[NH2+]Cc3cc(Br)ccc3Cl)COCCN12 ZINC000865771350 653774534 /nfs/dbraw/zinc/77/45/34/653774534.db2.gz ZGFCQXIJHOCUGW-AWEZNQCLSA-N 1 0 375.650 2.413 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000865777494 653774587 /nfs/dbraw/zinc/77/45/87/653774587.db2.gz YWOPHZKJGXNXKL-UHFFFAOYSA-N 1 0 387.322 2.078 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000820459086 653774919 /nfs/dbraw/zinc/77/49/19/653774919.db2.gz KVJLUKJLBQBRMU-UHFFFAOYSA-N 1 0 380.330 2.006 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000865791303 653775007 /nfs/dbraw/zinc/77/50/07/653775007.db2.gz RMBAPXGONCNQLM-KRWDZBQOSA-N 1 0 396.329 2.427 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000865791492 653775216 /nfs/dbraw/zinc/77/52/16/653775216.db2.gz AYCXMALZDXNKBL-NSHDSACASA-N 1 0 390.272 2.483 20 0 GEADRO COC[C@H](CN1CCO[C@H](C)C1)OC(=O)COc1ccc(Cl)c(F)c1 ZINC000842968199 653775578 /nfs/dbraw/zinc/77/55/78/653775578.db2.gz UTQRRNOKJQUFDV-OCCSQVGLSA-N 1 0 375.824 2.137 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000865806704 653775693 /nfs/dbraw/zinc/77/56/93/653775693.db2.gz MOBUIPLHNGZZEJ-BLLLJJGKSA-N 1 0 384.318 2.473 20 0 GEADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865814977 653775950 /nfs/dbraw/zinc/77/59/50/653775950.db2.gz OFKXJDVKINGGHD-UHFFFAOYSA-N 1 0 384.933 2.298 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2nccc(C)c2Br)cc1 ZINC000865817300 653775964 /nfs/dbraw/zinc/77/59/64/653775964.db2.gz DJJBXHBUPSVIAE-UHFFFAOYSA-N 1 0 398.326 2.393 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)cc1F ZINC000820597061 653777496 /nfs/dbraw/zinc/77/74/96/653777496.db2.gz RGXPHUUFMBYBCQ-RYUDHWBXSA-N 1 0 382.379 2.049 20 0 GEADRO Cn1ncc(I)c1CN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000865868008 653777807 /nfs/dbraw/zinc/77/78/07/653777807.db2.gz DMFDUQXNTYLCLC-CQSZACIVSA-N 1 0 396.276 2.389 20 0 GEADRO C[C@@](O)(CNC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F 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376.856 2.330 20 0 GEADRO O[C@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccn1 ZINC000843094249 653779176 /nfs/dbraw/zinc/77/91/76/653779176.db2.gz ITGPREYLIOBTJR-XJKSGUPXSA-N 1 0 385.233 2.046 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC[C@@](C)(O)c1ccc(Br)cc1F ZINC000843100659 653779246 /nfs/dbraw/zinc/77/92/46/653779246.db2.gz DWOBLDCEVQQKHG-RHSMWYFYSA-N 1 0 391.325 2.478 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC[C@H](O)c1ccc(F)c(Br)c1 ZINC000843099551 653779275 /nfs/dbraw/zinc/77/92/75/653779275.db2.gz ANKNWMBGNKGYKG-BBRMVZONSA-N 1 0 377.298 2.304 20 0 GEADRO C[C@@](O)(C[NH2+][C@H](CO)C1CCOCC1)c1ccc(Br)cc1F ZINC000843105069 653779413 /nfs/dbraw/zinc/77/94/13/653779413.db2.gz RZXXANZABGILMB-HZPDHXFCSA-N 1 0 376.266 2.173 20 0 GEADRO C[C@](O)(C[NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(Br)cc1F ZINC000843111345 653779564 /nfs/dbraw/zinc/77/95/64/653779564.db2.gz LHQPAZZPZUWJMO-WQGACYEGSA-N 1 0 376.266 2.030 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)Cc1cccnc1 ZINC000843112197 653779815 /nfs/dbraw/zinc/77/98/15/653779815.db2.gz XFSHGPIYXJOJOK-DYVFJYSZSA-N 1 0 383.261 2.457 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000843111726 653779823 /nfs/dbraw/zinc/77/98/23/653779823.db2.gz NRKRDFMBWCFHLQ-GJZGRUSLSA-N 1 0 376.856 2.378 20 0 GEADRO O=S(=O)(Cc1nc(C2CC[NH2+]CC2)no1)c1cccc(Br)c1 ZINC000843138382 653780542 /nfs/dbraw/zinc/78/05/42/653780542.db2.gz RZZBSPVFCHMNNA-UHFFFAOYSA-N 1 0 386.271 2.273 20 0 GEADRO Cc1c(-c2nc([C@@H]([NH3+])C(C)C)no2)cc(Br)cc1S(N)(=O)=O ZINC000843152521 653780731 /nfs/dbraw/zinc/78/07/31/653780731.db2.gz JXFXPCDJEQXTDI-NSHDSACASA-N 1 0 389.275 2.111 20 0 GEADRO [NH3+][C@H](Cc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1)C1CC1 ZINC000843201572 653781156 /nfs/dbraw/zinc/78/11/56/653781156.db2.gz ZSWXLPJBULSXKK-LLVKDONJSA-N 1 0 390.241 2.352 20 0 GEADRO F[C@]1(c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)CC[NH2+]C1 ZINC000843203682 653781362 /nfs/dbraw/zinc/78/13/62/653781362.db2.gz WBGDNTIDHSFYKE-OAHLLOKOSA-N 1 0 384.205 2.352 20 0 GEADRO COc1cc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)cc(Br)c1O ZINC000843220602 653781720 /nfs/dbraw/zinc/78/17/20/653781720.db2.gz SPQNGLPHTYAMDG-VIFPVBQESA-N 1 0 386.271 2.461 20 0 GEADRO C[NH2+]C[C@@H](C)c1nc(-c2cccn3c(I)cnc23)no1 ZINC000843223408 653781781 /nfs/dbraw/zinc/78/17/81/653781781.db2.gz CSJUKZCXNQQPTD-MRVPVSSYSA-N 1 0 383.193 2.312 20 0 GEADRO O=C(Cc1noc(C[C@@H]2CSCC[NH2+]2)n1)Nc1ccccc1Br ZINC000843218983 653781797 /nfs/dbraw/zinc/78/17/97/653781797.db2.gz NXVCFXVBXMJKQS-SNVBAGLBSA-N 1 0 397.298 2.261 20 0 GEADRO C[C@]1(c2nc(-c3ccc4ncc(I)n4c3)no2)CC[NH2+]C1 ZINC000843225321 653781947 /nfs/dbraw/zinc/78/19/47/653781947.db2.gz YNYJKFXLRHNHIJ-AWEZNQCLSA-N 1 0 395.204 2.240 20 0 GEADRO Brc1ccn2cc(-c3noc(C[C@@H]4CSCC[NH2+]4)n3)nc2c1 ZINC000843234399 653782116 /nfs/dbraw/zinc/78/21/16/653782116.db2.gz QGCKWDYKSHDVDN-SNVBAGLBSA-N 1 0 380.271 2.394 20 0 GEADRO O=C(NCc1noc(CC2CC[NH2+]CC2)n1)c1ccc(Br)cc1 ZINC000843230278 653782165 /nfs/dbraw/zinc/78/21/65/653782165.db2.gz MPZXSCCEFJTUET-UHFFFAOYSA-N 1 0 379.258 2.304 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843259866 653782330 /nfs/dbraw/zinc/78/23/30/653782330.db2.gz ALKPHDRDOIFUQF-UHFFFAOYSA-N 1 0 384.318 2.085 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000865996589 653782717 /nfs/dbraw/zinc/78/27/17/653782717.db2.gz LPHQBDYYBMNUCF-UHFFFAOYSA-N 1 0 376.469 2.478 20 0 GEADRO Cc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(Br)c1 ZINC000843325141 653785165 /nfs/dbraw/zinc/78/51/65/653785165.db2.gz HQZKUYHTOLGMTB-LFAOLKIESA-N 1 0 394.313 2.084 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000820874590 653785522 /nfs/dbraw/zinc/78/55/22/653785522.db2.gz JDHCCNYPOHKSCT-UHFFFAOYSA-N 1 0 396.738 2.401 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)c2cncc(I)c2)CC1 ZINC000882505019 653785637 /nfs/dbraw/zinc/78/56/37/653785637.db2.gz DRXLQUIRSRKNJP-UHFFFAOYSA-N 1 0 385.249 2.387 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000843356903 653785691 /nfs/dbraw/zinc/78/56/91/653785691.db2.gz GXWVIDYPJODZOK-QMTHXVAHSA-N 1 0 395.253 2.052 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)o1 ZINC000843379323 653785971 /nfs/dbraw/zinc/78/59/71/653785971.db2.gz XMGOWWVBRZWXKL-MRXNPFEDSA-N 1 0 383.901 2.330 20 0 GEADRO COc1ccc(I)c(NC(=O)CO[C@H]2CCC[NH2+]C2)c1 ZINC000843405839 653786079 /nfs/dbraw/zinc/78/60/79/653786079.db2.gz BSQYUVLXCMLCQR-NSHDSACASA-N 1 0 390.221 2.007 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc(Cl)n1 ZINC000843444427 653787209 /nfs/dbraw/zinc/78/72/09/653787209.db2.gz SITKNTYHQHMXBT-QLFBSQMISA-N 1 0 387.933 2.248 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)[C@@H]1C ZINC000843473088 653787806 /nfs/dbraw/zinc/78/78/06/653787806.db2.gz ASRWZYHUYCHATB-VXGBXAGGSA-N 1 0 387.933 2.239 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1Cl ZINC000843502763 653788479 /nfs/dbraw/zinc/78/84/79/653788479.db2.gz FSNYYGFWYNJZNO-RYUDHWBXSA-N 1 0 375.922 2.226 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000843504474 653788672 /nfs/dbraw/zinc/78/86/72/653788672.db2.gz AKHQTJMYUPRDGA-MNOVXSKESA-N 1 0 375.922 2.272 20 0 GEADRO O=C1O[C@]2(CN1CN1CCSC[C@@H]1c1nccs1)C[NH+]1CCC2CC1 ZINC000790389334 653790709 /nfs/dbraw/zinc/79/07/09/653790709.db2.gz VIHOSHMCZYVDQZ-PBHICJAKSA-N 1 0 380.539 2.107 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790519771 653793215 /nfs/dbraw/zinc/79/32/15/653793215.db2.gz UBCPQMXBOYPWSL-UHFFFAOYSA-N 1 0 384.933 2.346 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCC12CC2)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866410020 653793665 /nfs/dbraw/zinc/79/36/65/653793665.db2.gz CRVKKYCHVYGZGM-BBRMVZONSA-N 1 0 386.539 2.396 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCc2cc(Br)ccc21 ZINC000843778715 653793747 /nfs/dbraw/zinc/79/37/47/653793747.db2.gz JNRBNYYICFKYPX-INMHGKMJSA-N 1 0 379.298 2.458 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000866415068 653793900 /nfs/dbraw/zinc/79/39/00/653793900.db2.gz WMCGJHHLFXLCKV-JSGCOSHPSA-N 1 0 376.469 2.179 20 0 GEADRO CCC1(NC(=O)OC(C)(C)C)CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000882651557 653794873 /nfs/dbraw/zinc/79/48/73/653794873.db2.gz HMHUEMZWQVQSNG-UHFFFAOYSA-N 1 0 377.551 2.037 20 0 GEADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCn1cnc(Br)n1 ZINC000821349524 653795591 /nfs/dbraw/zinc/79/55/91/653795591.db2.gz YJPAPMKCLHFVBU-LBPRGKRZSA-N 1 0 376.262 2.314 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000790667869 653795785 /nfs/dbraw/zinc/79/57/85/653795785.db2.gz BRKMHLLXAGYVMD-ZBFHGGJFSA-N 1 0 377.360 2.239 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cn2ccnc12 ZINC000866454688 653796441 /nfs/dbraw/zinc/79/64/41/653796441.db2.gz PCLRZUSPCRZVBQ-CYBMUJFWSA-N 1 0 383.290 2.183 20 0 GEADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000866453835 653796490 /nfs/dbraw/zinc/79/64/90/653796490.db2.gz WCJBLFZKKDVWSG-XMMPIXPASA-N 1 0 391.534 2.332 20 0 GEADRO Cn1nc(Br)cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000821462408 653799133 /nfs/dbraw/zinc/79/91/33/653799133.db2.gz PFNNRXBAJRMOSV-UHFFFAOYSA-N 1 0 393.289 2.364 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000790878975 653799930 /nfs/dbraw/zinc/79/99/30/653799930.db2.gz FNNQQWOBOXWUJF-GFCCVEGCSA-N 1 0 375.922 2.050 20 0 GEADRO O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000866521140 653800367 /nfs/dbraw/zinc/80/03/67/653800367.db2.gz HYIDWHACXAYWNW-INMHGKMJSA-N 1 0 377.535 2.208 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@H]3CCc4c3c(Br)ccc4F)COCCN12 ZINC000866525561 653800872 /nfs/dbraw/zinc/80/08/72/653800872.db2.gz SBRDTSVKAZLWQQ-BBRMVZONSA-N 1 0 385.233 2.386 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000790967001 653801897 /nfs/dbraw/zinc/80/18/97/653801897.db2.gz AUCWTZHURUUNCC-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@H](CNS(=O)(=O)Cc1ncsc1Br)[NH+]1CCCCC1 ZINC000866565111 653802295 /nfs/dbraw/zinc/80/22/95/653802295.db2.gz CEBCXERQEXOHRJ-SNVBAGLBSA-N 1 0 382.349 2.199 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)C1CC1 ZINC000844164302 653802901 /nfs/dbraw/zinc/80/29/01/653802901.db2.gz XGBAYWWKALAVEE-KRWDZBQOSA-N 1 0 378.523 2.172 20 0 GEADRO C[N@H+](CCCCCCNC(=O)OC(C)(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000844330871 653805040 /nfs/dbraw/zinc/80/50/40/653805040.db2.gz DVQULSWKRUJRNW-OAHLLOKOSA-N 1 0 377.551 2.037 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1 ZINC000844373758 653805321 /nfs/dbraw/zinc/80/53/21/653805321.db2.gz PRLKDKUIFPLCIB-YJBOKZPZSA-N 1 0 386.945 2.295 20 0 GEADRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844377478 653805410 /nfs/dbraw/zinc/80/54/10/653805410.db2.gz HBHQAGDQTITULM-FZMZJTMJSA-N 1 0 378.441 2.008 20 0 GEADRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000844379909 653805695 /nfs/dbraw/zinc/80/56/95/653805695.db2.gz RJGFUGMMKWXLPL-AAEUAGOBSA-N 1 0 378.441 2.008 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000866629213 653806840 /nfs/dbraw/zinc/80/68/40/653806840.db2.gz DOSBDJJLDWIOPV-JLLWLGSASA-N 1 0 395.335 2.494 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000791253104 653806938 /nfs/dbraw/zinc/80/69/38/653806938.db2.gz FHXDRFKWVIHWLE-RDJZCZTQSA-N 1 0 375.296 2.332 20 0 GEADRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866632401 653807403 /nfs/dbraw/zinc/80/74/03/653807403.db2.gz ZBVGJJKLFSBSAI-UHFFFAOYSA-N 1 0 382.452 2.324 20 0 GEADRO Cc1ccc(Br)c2cc(C(=O)NCC[NH+]3CCC(O)CC3)[nH]c21 ZINC000821863158 653809775 /nfs/dbraw/zinc/80/97/75/653809775.db2.gz JRHYFYBXEVXXHE-UHFFFAOYSA-N 1 0 380.286 2.425 20 0 GEADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(Br)n[nH]1 ZINC000791350363 653810052 /nfs/dbraw/zinc/81/00/52/653810052.db2.gz JPRDMDWPNIOFRN-AWEZNQCLSA-N 1 0 377.286 2.467 20 0 GEADRO COc1cnc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(Br)c1 ZINC000882813256 653810749 /nfs/dbraw/zinc/81/07/49/653810749.db2.gz JFNAZTUMDFBZSH-UHFFFAOYSA-N 1 0 397.317 2.163 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000844641551 653810746 /nfs/dbraw/zinc/81/07/46/653810746.db2.gz REAFCVAFFZXAOL-UPJWGTAASA-N 1 0 387.933 2.143 20 0 GEADRO Cc1ccnc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1Br ZINC000882814163 653811149 /nfs/dbraw/zinc/81/11/49/653811149.db2.gz FAXQDHBNSUERHG-UHFFFAOYSA-N 1 0 381.318 2.463 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1nc[nH]c1Br ZINC000866684516 653811434 /nfs/dbraw/zinc/81/14/34/653811434.db2.gz OEGMHOZIDIBEBB-UHFFFAOYSA-N 1 0 387.303 2.055 20 0 GEADRO Cn1cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c(I)n1 ZINC000894994312 653811677 /nfs/dbraw/zinc/81/16/77/653811677.db2.gz OEPJNBDCZPNMEO-GFCCVEGCSA-N 1 0 389.212 2.030 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000844653995 653811912 /nfs/dbraw/zinc/81/19/12/653811912.db2.gz ISAHNNHAKCMXCT-UHFFFAOYSA-N 1 0 389.949 2.298 20 0 GEADRO C[C@H]1CN(c2ncc(I)cn2)CCN1c1cc[nH+]cc1 ZINC000882820275 653811935 /nfs/dbraw/zinc/81/19/35/653811935.db2.gz KFOXTHJQSJKVDN-NSHDSACASA-N 1 0 381.221 2.191 20 0 GEADRO C[C@@H]1CN(c2ncnc3c2c(Br)nn3C)CCN1c1cc[nH+]cc1 ZINC000882822107 653812030 /nfs/dbraw/zinc/81/20/30/653812030.db2.gz USWYIVWMGCGGQM-LLVKDONJSA-N 1 0 388.273 2.236 20 0 GEADRO CNS(=O)(=O)c1ccc(N2CCN(c3cc[nH+]c(C)c3Cl)CC2)cc1 ZINC000882825349 653812265 /nfs/dbraw/zinc/81/22/65/653812265.db2.gz HZEHPPOPEFCKEC-UHFFFAOYSA-N 1 0 380.901 2.278 20 0 GEADRO C[C@H](c1ccccc1Br)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707702 653813265 /nfs/dbraw/zinc/81/32/65/653813265.db2.gz BHNNEHISUYWJKH-KOZAUXTDSA-N 1 0 380.286 2.377 20 0 GEADRO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2csc(-c3cccs3)n2)C1 ZINC000866714143 653814263 /nfs/dbraw/zinc/81/42/63/653814263.db2.gz HEQQJZVSGOROMP-MELADBBJSA-N 1 0 376.507 2.239 20 0 GEADRO Cn1ncc(I)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000895074080 653815676 /nfs/dbraw/zinc/81/56/76/653815676.db2.gz LUHYARFRETXBDI-DGCLKSJQSA-N 1 0 375.254 2.416 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)nc1 ZINC000866729343 653816046 /nfs/dbraw/zinc/81/60/46/653816046.db2.gz QVUYIIYRYKOMCI-NSHDSACASA-N 1 0 387.278 2.238 20 0 GEADRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cc(OC)c(O)cc2Br)C1(F)F ZINC000895087340 653816523 /nfs/dbraw/zinc/81/65/23/653816523.db2.gz CEZVMJIAGPIHIH-PRHODGIISA-N 1 0 380.185 2.307 20 0 GEADRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cc(OC)c(O)cc2Br)C1(F)F ZINC000895087343 653816615 /nfs/dbraw/zinc/81/66/15/653816615.db2.gz CEZVMJIAGPIHIH-UFBFGSQYSA-N 1 0 380.185 2.307 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000866739596 653817431 /nfs/dbraw/zinc/81/74/31/653817431.db2.gz GUCXRTCDEROBMB-NWDGAFQWSA-N 1 0 391.331 2.347 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)cn1 ZINC000791563473 653817708 /nfs/dbraw/zinc/81/77/08/653817708.db2.gz LMDJCLTUDQDQNC-OAHLLOKOSA-N 1 0 379.258 2.149 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866740430 653817802 /nfs/dbraw/zinc/81/78/02/653817802.db2.gz OSWIIXCFDPIYNB-UHFFFAOYSA-N 1 0 384.329 2.367 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000866742870 653818157 /nfs/dbraw/zinc/81/81/57/653818157.db2.gz GDUVIYMNCUFINT-LBPRGKRZSA-N 1 0 389.315 2.114 20 0 GEADRO Cc1csc(C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1Cl ZINC000791597426 653818853 /nfs/dbraw/zinc/81/88/53/653818853.db2.gz HNZRMQCTOMQRAP-CYBMUJFWSA-N 1 0 388.917 2.340 20 0 GEADRO Cn1ncc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1C(F)(F)F ZINC000866750375 653819190 /nfs/dbraw/zinc/81/91/90/653819190.db2.gz KBMJTSMVMZCABR-LBPRGKRZSA-N 1 0 380.436 2.078 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1csc(I)n1 ZINC000822156445 653819746 /nfs/dbraw/zinc/81/97/46/653819746.db2.gz RMAHBDNASYSJNN-PSASIEDQSA-N 1 0 377.251 2.104 20 0 GEADRO Cn1cc(C(=O)NCCC[NH2+]C2CCCCC2)c(I)n1 ZINC000895130142 653819698 /nfs/dbraw/zinc/81/96/98/653819698.db2.gz KUSXDPXXXUPUKT-UHFFFAOYSA-N 1 0 390.269 2.067 20 0 GEADRO CNC(=O)[C@@H](C[NH2+]C1CCS(=O)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000895123005 653819766 /nfs/dbraw/zinc/81/97/66/653819766.db2.gz HVSZGJVYZARQGW-ISWNNORUSA-N 1 0 376.444 2.111 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000866757283 653820188 /nfs/dbraw/zinc/82/01/88/653820188.db2.gz OWPIOTUZAVTVPL-WDEREUQCSA-N 1 0 377.304 2.147 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000866759074 653820467 /nfs/dbraw/zinc/82/04/67/653820467.db2.gz MKOZGRKQHUGZNB-WDEREUQCSA-N 1 0 377.304 2.018 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866763852 653821410 /nfs/dbraw/zinc/82/14/10/653821410.db2.gz IJQALDYWKSMPKY-NSHDSACASA-N 1 0 379.404 2.079 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866769914 653822076 /nfs/dbraw/zinc/82/20/76/653822076.db2.gz RQMCOEUXQGDKNN-QWRGUYRKSA-N 1 0 386.930 2.355 20 0 GEADRO O=S(=O)(c1cnc2c(Br)csc2c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866768852 653822136 /nfs/dbraw/zinc/82/21/36/653822136.db2.gz YICDRAUSGGTDIC-KCJUWKMLSA-N 1 0 388.312 2.041 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000866770384 653822442 /nfs/dbraw/zinc/82/24/42/653822442.db2.gz WGADNKSNFAVLMR-JQWIXIFHSA-N 1 0 386.930 2.497 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000866770383 653822459 /nfs/dbraw/zinc/82/24/59/653822459.db2.gz WGADNKSNFAVLMR-CMPLNLGQSA-N 1 0 386.930 2.497 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866771660 653822676 /nfs/dbraw/zinc/82/26/76/653822676.db2.gz HQGLZFFKWVVPCR-TZMCWYRMSA-N 1 0 394.324 2.295 20 0 GEADRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895238336 653824325 /nfs/dbraw/zinc/82/43/25/653824325.db2.gz YQPDXKYKTGOWIQ-BAGVQZLWSA-N 1 0 377.963 2.412 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)CC[C@@H]1C(F)(F)F ZINC000866778651 653824410 /nfs/dbraw/zinc/82/44/10/653824410.db2.gz BEILRSJBAZAIQU-SFYZADRCSA-N 1 0 375.775 2.022 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000895274909 653825683 /nfs/dbraw/zinc/82/56/83/653825683.db2.gz PIBZSWCFQGCRMM-NSHDSACASA-N 1 0 387.196 2.257 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000895293939 653826697 /nfs/dbraw/zinc/82/66/97/653826697.db2.gz XDINELFBBSIFOQ-IRXDYDNUSA-N 1 0 396.329 2.498 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866793523 653827421 /nfs/dbraw/zinc/82/74/21/653827421.db2.gz FOVOLGKIFVMXKO-UHFFFAOYSA-N 1 0 393.278 2.241 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000895320485 653827501 /nfs/dbraw/zinc/82/75/01/653827501.db2.gz XJPQFESOQDCUKR-ZXFNITATSA-N 1 0 377.282 2.277 20 0 GEADRO C[C@H]1CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC000822455485 653828615 /nfs/dbraw/zinc/82/86/15/653828615.db2.gz FVSRKMLOWSUIHS-UONOGXRCSA-N 1 0 377.551 2.082 20 0 GEADRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cn(C)nc1I ZINC000895340451 653828590 /nfs/dbraw/zinc/82/85/90/653828590.db2.gz SOMHEHPKNXELAR-BXUZGUMPSA-N 1 0 391.253 2.236 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)c1 ZINC000895339171 653828743 /nfs/dbraw/zinc/82/87/43/653828743.db2.gz YBJQAVPRPFSAMB-ZDUSSCGKSA-N 1 0 387.933 2.417 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c1F ZINC000866803303 653829017 /nfs/dbraw/zinc/82/90/17/653829017.db2.gz SHNRPJHGAVYIJP-UHFFFAOYSA-N 1 0 378.853 2.028 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883122222 653829283 /nfs/dbraw/zinc/82/92/83/653829283.db2.gz FOWLNLBXMIPZFO-GFCCVEGCSA-N 1 0 375.382 2.356 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1Cl ZINC000866807386 653830079 /nfs/dbraw/zinc/83/00/79/653830079.db2.gz SKBOPZBQQQQODD-MGCOHNPYSA-N 1 0 383.297 2.034 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1Cl ZINC000866807873 653830107 /nfs/dbraw/zinc/83/01/07/653830107.db2.gz RCBZLAUZTWAZCC-ZKCHVHJHSA-N 1 0 383.695 2.127 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)C[C@H]1C(F)(F)F ZINC000895368777 653830174 /nfs/dbraw/zinc/83/01/74/653830174.db2.gz KUJCXAXNPZSGCX-XVIXHAIJSA-N 1 0 385.448 2.452 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000895369556 653830556 /nfs/dbraw/zinc/83/05/56/653830556.db2.gz VMUMZGVWKOKOFB-HZMBPMFUSA-N 1 0 389.315 2.463 20 0 GEADRO O=C(NCC[NH2+]Cc1cccc2c1CCOC2)c1ccc(Br)cn1 ZINC000883165417 653831033 /nfs/dbraw/zinc/83/10/33/653831033.db2.gz DTOFNPCJEIAALE-UHFFFAOYSA-N 1 0 390.281 2.436 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)cc1Br ZINC000866812974 653831302 /nfs/dbraw/zinc/83/13/02/653831302.db2.gz UTNSVWWECUOALQ-SNVBAGLBSA-N 1 0 377.304 2.124 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000895387738 653831798 /nfs/dbraw/zinc/83/17/98/653831798.db2.gz DSYUDFGPBFHPER-ZDUSSCGKSA-N 1 0 383.233 2.256 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2nc(C(N)=O)cs2)C[C@H]1C(F)(F)F ZINC000895394522 653832131 /nfs/dbraw/zinc/83/21/31/653832131.db2.gz PWNBNAZYXYBVKF-IVZWLZJFSA-N 1 0 379.404 2.242 20 0 GEADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000792026496 653832272 /nfs/dbraw/zinc/83/22/72/653832272.db2.gz WOZVMNUYPZOBIW-KRWDZBQOSA-N 1 0 388.265 2.496 20 0 GEADRO COCCC1(NS(=O)(=O)c2cccc(Br)c2C)CC[NH2+]CC1 ZINC000866821602 653832678 /nfs/dbraw/zinc/83/26/78/653832678.db2.gz MBDNKHRLEKXQJL-UHFFFAOYSA-N 1 0 391.331 2.195 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(SC)c(Cl)c2)CC[NH2+]CC1 ZINC000866821766 653832709 /nfs/dbraw/zinc/83/27/09/653832709.db2.gz RTVCSUYBSHHDHC-UHFFFAOYSA-N 1 0 378.947 2.499 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000866821497 653832794 /nfs/dbraw/zinc/83/27/94/653832794.db2.gz HOPUQJWPFSYWLX-UHFFFAOYSA-N 1 0 380.432 2.228 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)cc21 ZINC000866824313 653833540 /nfs/dbraw/zinc/83/35/40/653833540.db2.gz LSWCUVZHXKSICM-LSDHHAIUSA-N 1 0 398.326 2.456 20 0 GEADRO CCn1ncc(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)c1Br ZINC000822606152 653833596 /nfs/dbraw/zinc/83/35/96/653833596.db2.gz FLMQHIILXUEAIQ-UHFFFAOYSA-N 1 0 394.273 2.032 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3nc(Br)ccc3F)nc2)CC1 ZINC000792063031 653833646 /nfs/dbraw/zinc/83/36/46/653833646.db2.gz YJXLZZBHYGDMGL-UHFFFAOYSA-N 1 0 394.248 2.382 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866826662 653833703 /nfs/dbraw/zinc/83/37/03/653833703.db2.gz AQXUOLWOANBIDE-STQMWFEESA-N 1 0 380.491 2.203 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1Br ZINC000866827557 653834039 /nfs/dbraw/zinc/83/40/39/653834039.db2.gz OUNTWVIJRCEISR-KBPBESRZSA-N 1 0 389.315 2.363 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(Cl)cc1Cl ZINC000866827407 653834077 /nfs/dbraw/zinc/83/40/77/653834077.db2.gz MKPIMQBVHNEUHU-OLZOCXBDSA-N 1 0 393.292 2.295 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1Br ZINC000866827560 653834331 /nfs/dbraw/zinc/83/43/31/653834331.db2.gz OUNTWVIJRCEISR-ZIAGYGMSSA-N 1 0 389.315 2.363 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(S(=O)(=O)CC)CC2)C[C@H]1C(F)(F)F ZINC000895441356 653834418 /nfs/dbraw/zinc/83/44/18/653834418.db2.gz USXGAWBNADTKQQ-JHJVBQTASA-N 1 0 385.448 2.454 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1ccc(I)s1 ZINC000883297280 653834540 /nfs/dbraw/zinc/83/45/40/653834540.db2.gz LIJYSLUNCBSOPZ-JTQLQIEISA-N 1 0 385.292 2.410 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]CC[C@@H]3CCCS3(=O)=O)cnc12 ZINC000883298198 653834571 /nfs/dbraw/zinc/83/45/71/653834571.db2.gz LPBKRFKZSNGNHN-AWEZNQCLSA-N 1 0 386.315 2.462 20 0 GEADRO Cc1ccc(CNCc2nnc3c(=O)n(C)ccn23)c(C)c1Br ZINC000883330802 653835508 /nfs/dbraw/zinc/83/55/08/653835508.db2.gz MHTOACSMVBQJFL-UHFFFAOYSA-N 1 0 376.258 2.097 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883315343 653835530 /nfs/dbraw/zinc/83/55/30/653835530.db2.gz IBZAZHQZHJVNMF-JMSVASOKSA-N 1 0 385.302 2.477 20 0 GEADRO O=C(/C=C\c1ccc(Br)o1)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000822671686 653836065 /nfs/dbraw/zinc/83/60/65/653836065.db2.gz LYIXUYKIUUUGGG-XQRVVYSFSA-N 1 0 397.269 2.342 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1I)c1cccs1 ZINC000895465221 653836492 /nfs/dbraw/zinc/83/64/92/653836492.db2.gz QSJJDKGJJUFXGP-VIFPVBQESA-N 1 0 390.250 2.109 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Cl)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000866844567 653837353 /nfs/dbraw/zinc/83/73/53/653837353.db2.gz SWRFKYACOMUHOT-OAHLLOKOSA-N 1 0 378.897 2.135 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)nc1 ZINC000883371560 653837575 /nfs/dbraw/zinc/83/75/75/653837575.db2.gz PHAFDKDIGPGCQH-RDJZCZTQSA-N 1 0 397.361 2.291 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)nc1 ZINC000883371559 653837683 /nfs/dbraw/zinc/83/76/83/653837683.db2.gz PHAFDKDIGPGCQH-NVXWUHKLSA-N 1 0 397.361 2.291 20 0 GEADRO COCCN1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000883377689 653838059 /nfs/dbraw/zinc/83/80/59/653838059.db2.gz NRDUJIKHLRNNPX-GOEBONIOSA-N 1 0 382.302 2.013 20 0 GEADRO [NH3+]CCCN(Cc1nnnn1-c1ccccc1Br)CC(F)(F)F ZINC000883444037 653839887 /nfs/dbraw/zinc/83/98/87/653839887.db2.gz UZZMAWXUHPXGPV-UHFFFAOYSA-N 1 0 393.211 2.138 20 0 GEADRO Cc1cc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)ncc1Br ZINC000895551942 653840598 /nfs/dbraw/zinc/84/05/98/653840598.db2.gz LOWGQXSRYUVWCJ-UHFFFAOYSA-N 1 0 395.345 2.458 20 0 GEADRO NS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1C(F)(F)F ZINC000895572954 653841463 /nfs/dbraw/zinc/84/14/63/653841463.db2.gz WUWGQXCSQLVVDX-QWHCGFSZSA-N 1 0 395.472 2.345 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000883474389 653841663 /nfs/dbraw/zinc/84/16/63/653841663.db2.gz NKQURIPEDZOYKK-LLVKDONJSA-N 1 0 377.869 2.200 20 0 GEADRO O=S(=O)(c1cc(F)ccc1Br)N1CC[NH2+]CCC12CCC2 ZINC000883478633 653841974 /nfs/dbraw/zinc/84/19/74/653841974.db2.gz RQVSWYMXQDHLKD-UHFFFAOYSA-N 1 0 377.279 2.495 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(C(F)F)s1 ZINC000845291810 653842286 /nfs/dbraw/zinc/84/22/86/653842286.db2.gz PXJVWZHKDVXZKM-MRVPVSSYSA-N 1 0 379.433 2.259 20 0 GEADRO C[C@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000895677996 653845597 /nfs/dbraw/zinc/84/55/97/653845597.db2.gz QSLYTXQNVJHOBH-SKDRFNHKSA-N 1 0 375.359 2.342 20 0 GEADRO COc1cc(Br)c(Cc2noc([C@H]3C[NH2+]CCO3)n2)cc1OC ZINC000822911331 653845854 /nfs/dbraw/zinc/84/58/54/653845854.db2.gz YWKRUHOKWOGUSU-CYBMUJFWSA-N 1 0 384.230 2.101 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593489 653846969 /nfs/dbraw/zinc/84/69/69/653846969.db2.gz KFTFHXZACIQKEK-UHFFFAOYSA-N 1 0 383.246 2.044 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593805 653846981 /nfs/dbraw/zinc/84/69/81/653846981.db2.gz RNIAEFLVVVZCJC-LBPRGKRZSA-N 1 0 397.273 2.290 20 0 GEADRO CSc1nnc(CNC(=O)N2CCN(CCCOC(C)(C)C)CC2)s1 ZINC000883635993 653848643 /nfs/dbraw/zinc/84/86/43/653848643.db2.gz GRXXLWOBROUXDG-UHFFFAOYSA-N 1 0 387.575 2.292 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1cscc1Br ZINC000883638983 653848796 /nfs/dbraw/zinc/84/87/96/653848796.db2.gz BXPXNZJXQJLEDU-GWCFXTLKSA-N 1 0 388.331 2.197 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000895770084 653849672 /nfs/dbraw/zinc/84/96/72/653849672.db2.gz DDXCKFBFINNYMA-MRXNPFEDSA-N 1 0 390.281 2.382 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000883661988 653849855 /nfs/dbraw/zinc/84/98/55/653849855.db2.gz YAQYCNGAZULVDL-CYBMUJFWSA-N 1 0 394.273 2.393 20 0 GEADRO O=C(NCCOc1cccc(Br)c1)C1C[NH+](C2CCOCC2)C1 ZINC000895827088 653851753 /nfs/dbraw/zinc/85/17/53/653851753.db2.gz CVTCYXHIABMDSD-UHFFFAOYSA-N 1 0 383.286 2.055 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)c2cnn(C(C)(C)C)c2I)C1 ZINC000895835059 653852084 /nfs/dbraw/zinc/85/20/84/653852084.db2.gz XSFKFAKCYASTBJ-JTQLQIEISA-N 1 0 390.269 2.067 20 0 GEADRO COC[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@@H]1CCCOC1 ZINC000895859670 653853085 /nfs/dbraw/zinc/85/30/85/653853085.db2.gz VHKACLOUILHUML-CHWSQXEVSA-N 1 0 375.922 2.164 20 0 GEADRO Ic1cnc2ccc(-c3noc(C[C@H]4CC[NH2+]C4)n3)cn12 ZINC000823115983 653854182 /nfs/dbraw/zinc/85/41/82/653854182.db2.gz OIDUEOJXDWSGMK-SECBINFHSA-N 1 0 395.204 2.141 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000823132460 653854978 /nfs/dbraw/zinc/85/49/78/653854978.db2.gz FHQGELZGQFAFON-WCQYABFASA-N 1 0 380.286 2.428 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)([NH+](C)C)C1 ZINC000823147540 653855528 /nfs/dbraw/zinc/85/55/28/653855528.db2.gz TUOGBNBUWBDIHW-SJKOYZFVSA-N 1 0 387.933 2.379 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)nc1Br ZINC000792949054 653856490 /nfs/dbraw/zinc/85/64/90/653856490.db2.gz WAKKITCBEUPQIU-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCC[C@H]3CC3(Cl)Cl)CC2)C1 ZINC000845666320 653857637 /nfs/dbraw/zinc/85/76/37/653857637.db2.gz FRFDENWKWOXKLT-GJZGRUSLSA-N 1 0 377.360 2.382 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000895960496 653858961 /nfs/dbraw/zinc/85/89/61/653858961.db2.gz DMMYMZHDAWGJHB-VXGBXAGGSA-N 1 0 389.315 2.109 20 0 GEADRO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N(C1CC1)C1CC[NH2+]CC1 ZINC000884012640 653860334 /nfs/dbraw/zinc/86/03/34/653860334.db2.gz QAQKZZYBNVUOIY-MRXNPFEDSA-N 1 0 393.281 2.274 20 0 GEADRO CC[NH2+]Cc1cccc(NC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)c1 ZINC000884013880 653860373 /nfs/dbraw/zinc/86/03/73/653860373.db2.gz VJHQBYSLDSNDEV-LLVKDONJSA-N 1 0 378.523 2.400 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000884020042 653860762 /nfs/dbraw/zinc/86/07/62/653860762.db2.gz LPPYIUFFPVXIET-SNVBAGLBSA-N 1 0 377.794 2.286 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884040109 653861203 /nfs/dbraw/zinc/86/12/03/653861203.db2.gz JTIWPUISQIVPLF-MRXNPFEDSA-N 1 0 395.297 2.379 20 0 GEADRO Cn1ncc(I)c1C(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000845729265 653861239 /nfs/dbraw/zinc/86/12/39/653861239.db2.gz MKIYTUVDDZBGLQ-VIFPVBQESA-N 1 0 377.226 2.054 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1 ZINC000884046906 653861420 /nfs/dbraw/zinc/86/14/20/653861420.db2.gz WYRBDEXGAUMSJL-OAHLLOKOSA-N 1 0 392.253 2.027 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000884057820 653861732 /nfs/dbraw/zinc/86/17/32/653861732.db2.gz ROHKBLHSFRMPII-DLBZAZTESA-N 1 0 380.897 2.308 20 0 GEADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000845740527 653861684 /nfs/dbraw/zinc/86/16/84/653861684.db2.gz PAMKYIKEMMDNBW-GXTWGEPZSA-N 1 0 388.917 2.423 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000793010115 653862090 /nfs/dbraw/zinc/86/20/90/653862090.db2.gz PNEIPESHPQSFDU-UHFFFAOYSA-N 1 0 383.290 2.019 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2cccc(Br)n2)cc1 ZINC000793034295 653863245 /nfs/dbraw/zinc/86/32/45/653863245.db2.gz KVFDISPPMATNFE-UHFFFAOYSA-N 1 0 377.242 2.483 20 0 GEADRO Cc1cccc(OC[C@H](O)CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000884104059 653863938 /nfs/dbraw/zinc/86/39/38/653863938.db2.gz BJGMEPZGMURGGS-NVXWUHKLSA-N 1 0 393.281 2.313 20 0 GEADRO C[C@@H]1[C@H](COC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC[N@@H+]1C ZINC000845813726 653864280 /nfs/dbraw/zinc/86/42/80/653864280.db2.gz GIYDWUQIZXHXTG-KGLIPLIRSA-N 1 0 386.539 2.420 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000884126368 653864849 /nfs/dbraw/zinc/86/48/49/653864849.db2.gz XSZWUQOOIDFLQB-JTQLQIEISA-N 1 0 379.404 2.261 20 0 GEADRO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]([NH3+])c1ccc(Br)cc1)CC2 ZINC000884152677 653865939 /nfs/dbraw/zinc/86/59/39/653865939.db2.gz QXPDVESTSORTEY-OAGGEKHMSA-N 1 0 397.313 2.227 20 0 GEADRO Cc1ccoc1C(=O)NCCCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884149725 653866017 /nfs/dbraw/zinc/86/60/17/653866017.db2.gz TYOYGEDHCKUFGX-CQSZACIVSA-N 1 0 394.269 2.287 20 0 GEADRO [NH3+][C@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884202938 653867987 /nfs/dbraw/zinc/86/79/87/653867987.db2.gz LQNDRGGOUGAUIV-RYUDHWBXSA-N 1 0 380.208 2.202 20 0 GEADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H]1CC1(F)F ZINC000896202003 653868470 /nfs/dbraw/zinc/86/84/70/653868470.db2.gz CLZRBQIUAJIYFI-YNEHKIRRSA-N 1 0 382.473 2.044 20 0 GEADRO CC(C)OCCN1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884225362 653868664 /nfs/dbraw/zinc/86/86/64/653868664.db2.gz PPWYJCPPCLYSEQ-MRXNPFEDSA-N 1 0 384.318 2.018 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@H]1CCN(c2ncccc2F)C1)c1ccc(Br)cc1 ZINC000884230417 653868729 /nfs/dbraw/zinc/86/87/29/653868729.db2.gz RAXKQJHYLKAHMQ-DZGCQCFKSA-N 1 0 393.260 2.378 20 0 GEADRO [NH3+][C@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(Br)cc1 ZINC000884243736 653868972 /nfs/dbraw/zinc/86/89/72/653868972.db2.gz NWAJSFYZSKEPGA-CJNGLKHVSA-N 1 0 375.270 2.299 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc2c(cncc2Cl)s1 ZINC000884273311 653869908 /nfs/dbraw/zinc/86/99/08/653869908.db2.gz NCHZJEKALYBYGY-NSHDSACASA-N 1 0 380.901 2.409 20 0 GEADRO C[NH+](C)CCCC1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000867036103 653870125 /nfs/dbraw/zinc/87/01/25/653870125.db2.gz RJHITKORROSAJC-DEOSSOPVSA-N 1 0 387.571 2.442 20 0 GEADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1nn2c(c1Br)CCC2 ZINC000884284637 653870729 /nfs/dbraw/zinc/87/07/29/653870729.db2.gz PFQIWEOIYDBPHA-CYBMUJFWSA-N 1 0 375.270 2.209 20 0 GEADRO C[C@H](C[NH2+]CC1CCC(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000896252889 653870951 /nfs/dbraw/zinc/87/09/51/653870951.db2.gz ALAPCDDEOGMYTR-HPUBIQBYSA-N 1 0 387.567 2.387 20 0 GEADRO O=C(c1c[nH]nc1I)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000896259293 653871385 /nfs/dbraw/zinc/87/13/85/653871385.db2.gz IXRJHRGSRKJOEB-NSHDSACASA-N 1 0 388.253 2.105 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000884317279 653871992 /nfs/dbraw/zinc/87/19/92/653871992.db2.gz QGQCUJGHMXHHNF-GDBMZVCRSA-N 1 0 375.270 2.239 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000884334984 653872800 /nfs/dbraw/zinc/87/28/00/653872800.db2.gz HMKROSOYEFFURB-LBPRGKRZSA-N 1 0 379.258 2.361 20 0 GEADRO C[N@@H+]1C[C@@H](CNC(=O)c2ncc(Br)cn2)[C@H](c2ccccc2)C1 ZINC000823587181 653872896 /nfs/dbraw/zinc/87/28/96/653872896.db2.gz CYIALEMIMOZLAE-HIFRSBDPSA-N 1 0 375.270 2.314 20 0 GEADRO C[C@H](CNC(=O)c1c[nH]nc1I)[N@H+](C)Cc1ccccc1 ZINC000896291805 653873024 /nfs/dbraw/zinc/87/30/24/653873024.db2.gz KFFOVVABPRSZCC-LLVKDONJSA-N 1 0 398.248 2.265 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000896300117 653873075 /nfs/dbraw/zinc/87/30/75/653873075.db2.gz OYBCBTIZVWAGHZ-UHFFFAOYSA-N 1 0 380.798 2.010 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)[nH]nc1I ZINC000896340827 653875270 /nfs/dbraw/zinc/87/52/70/653875270.db2.gz LAXNJOHUWGPHBD-NSHDSACASA-N 1 0 390.269 2.317 20 0 GEADRO [NH3+][C@@H](CCNC(=O)c1nn2c(c1Br)CCC2)Cc1ccccc1 ZINC000884455830 653877065 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COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cn(C)nc2Br)cc1 ZINC000897698026 653933781 /nfs/dbraw/zinc/93/37/81/653933781.db2.gz KOUBOOFBJVOKOQ-AWEZNQCLSA-N 1 0 381.274 2.224 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000847576346 653935409 /nfs/dbraw/zinc/93/54/09/653935409.db2.gz VNMKWIOFXKGLCI-UHFFFAOYSA-N 1 0 383.290 2.115 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000847576709 653935660 /nfs/dbraw/zinc/93/56/60/653935660.db2.gz YGHRKXZAYQAHAC-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO O=C(NCc1cc(F)c(F)cc1Br)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897747118 653935681 /nfs/dbraw/zinc/93/56/81/653935681.db2.gz FEXBIQUUPFNJNY-LLVKDONJSA-N 1 0 375.213 2.064 20 0 GEADRO CC(C)[N@H+](C)CCNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795171226 653936610 /nfs/dbraw/zinc/93/66/10/653936610.db2.gz KNNKTXHSXQGGBL-UHFFFAOYSA-N 1 0 389.315 2.442 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000825972883 653944707 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COc1cccc(C[C@H](C)[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)n1 ZINC000897978078 653947378 /nfs/dbraw/zinc/94/73/78/653947378.db2.gz LMADUMUYRDLIAC-HZMBPMFUSA-N 1 0 391.269 2.332 20 0 GEADRO C[S@@](=O)(=NS(=O)(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000867536940 653947839 /nfs/dbraw/zinc/94/78/39/653947839.db2.gz AQSZJBVDCIOITR-DEOSSOPVSA-N 1 0 385.555 2.100 20 0 GEADRO O=C1c2c(cccc2Br)CN1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000795430666 653952522 /nfs/dbraw/zinc/95/25/22/653952522.db2.gz FDCACQSVFUPNSF-CQSZACIVSA-N 1 0 394.313 2.017 20 0 GEADRO COc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000826564735 653953231 /nfs/dbraw/zinc/95/32/31/653953231.db2.gz RMBFCPKPDWOUBD-HNNXBMFYSA-N 1 0 383.286 2.129 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(C(C)(C)C)c2Br)C1 ZINC000826661858 653956060 /nfs/dbraw/zinc/95/60/60/653956060.db2.gz DYMHKKGMKTXRAV-LBPRGKRZSA-N 1 0 387.322 2.241 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826674185 653956943 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O=C(c1csc(I)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000826768852 653960107 /nfs/dbraw/zinc/96/01/07/653960107.db2.gz GOPGWXHBZSKUBG-SNVBAGLBSA-N 1 0 391.278 2.448 20 0 GEADRO COc1cc(Br)ccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885866611 653960248 /nfs/dbraw/zinc/96/02/48/653960248.db2.gz ZXNCHXBASXEUGN-AWEZNQCLSA-N 1 0 383.286 2.441 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885879453 653961210 /nfs/dbraw/zinc/96/12/10/653961210.db2.gz HKBFCVFLUMQCBJ-HNNXBMFYSA-N 1 0 383.286 2.067 20 0 GEADRO COc1nc(C)c(Br)cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885880505 653961565 /nfs/dbraw/zinc/96/15/65/653961565.db2.gz RYIRZDPCVCBSFN-ZDUSSCGKSA-N 1 0 398.301 2.144 20 0 GEADRO CC(C)n1ncc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1Br ZINC000885892801 653962147 /nfs/dbraw/zinc/96/21/47/653962147.db2.gz CTTVMPISPXVQCM-CYBMUJFWSA-N 1 0 385.306 2.210 20 0 GEADRO COC(=O)c1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(C)c1Br ZINC000795700756 653963406 /nfs/dbraw/zinc/96/34/06/653963406.db2.gz LGZMMHZRHKHKBI-AAEUAGOBSA-N 1 0 385.306 2.257 20 0 GEADRO COc1cc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c(F)cc1Br ZINC000898325456 653963430 /nfs/dbraw/zinc/96/34/30/653963430.db2.gz IEWZTDLKOYXZHV-UHFFFAOYSA-N 1 0 386.221 2.039 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccco1)Cn1cc(I)cn1 ZINC000795751937 653965015 /nfs/dbraw/zinc/96/50/15/653965015.db2.gz MPHDKFBOHDPYIH-UHFFFAOYSA-N 1 0 388.253 2.492 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000848219360 653965274 /nfs/dbraw/zinc/96/52/74/653965274.db2.gz GHFHFGXKYCZDGR-LBPRGKRZSA-N 1 0 378.416 2.442 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccccc1OCC(F)F)CCO2 ZINC000886057814 653965988 /nfs/dbraw/zinc/96/59/88/653965988.db2.gz XXAHNXCIHHQLQT-PBHICJAKSA-N 1 0 375.437 2.156 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCc1ncc(Br)cn1)c1ccc(F)cc1 ZINC000898385729 653966167 /nfs/dbraw/zinc/96/61/67/653966167.db2.gz OFLYZCHZRLWWMP-AWEZNQCLSA-N 1 0 396.264 2.480 20 0 GEADRO O=C(NCc1ncc(Br)cn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000898398702 653968357 /nfs/dbraw/zinc/96/83/57/653968357.db2.gz KGWJXLGDWMCOPL-UHFFFAOYSA-N 1 0 382.306 2.257 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c(F)cc1Cl ZINC000795819538 653968335 /nfs/dbraw/zinc/96/83/35/653968335.db2.gz PLAQREXJRFOOJH-VIFPVBQESA-N 1 0 378.853 2.027 20 0 GEADRO CC(=O)N[C@H](C(=O)NCC1([NH+](C)C)CCC1)c1cccc(Br)c1 ZINC000867659292 653969637 /nfs/dbraw/zinc/96/96/37/653969637.db2.gz WXHUFESTXVZTEQ-HNNXBMFYSA-N 1 0 382.302 2.227 20 0 GEADRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(F)cc1I ZINC000886223319 653973049 /nfs/dbraw/zinc/97/30/49/653973049.db2.gz JTJNWPFBAMLDOG-CHWSQXEVSA-N 1 0 379.213 2.450 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 ZINC000827043956 653971760 /nfs/dbraw/zinc/97/17/60/653971760.db2.gz CNOLZPWHKBOMBJ-NEPJUHHUSA-N 1 0 388.452 2.199 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1Cl ZINC000795862567 653972333 /nfs/dbraw/zinc/97/23/33/653972333.db2.gz XDUHBQZFTKVADP-QWRGUYRKSA-N 1 0 392.880 2.369 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)CCS2(=O)=O ZINC000898486063 653973023 /nfs/dbraw/zinc/97/30/23/653973023.db2.gz AUBBOQUVKRVORW-YAJUMTOWSA-N 1 0 389.876 2.468 20 0 GEADRO Cn1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1=O ZINC000827079365 653973276 /nfs/dbraw/zinc/97/32/76/653973276.db2.gz YPUICMIWLQGNBR-CYBMUJFWSA-N 1 0 382.302 2.285 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)CCS2(=O)=O ZINC000898490216 653973611 /nfs/dbraw/zinc/97/36/11/653973611.db2.gz OGTQQWRRBHPJAD-TVIZTDCDSA-N 1 0 389.876 2.468 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1ccc(Cl)s1)CCS2(=O)=O ZINC000898491897 653974138 /nfs/dbraw/zinc/97/41/38/653974138.db2.gz VJSXAWHWZDIFLG-VTWZXRTESA-N 1 0 377.915 2.390 20 0 GEADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1Br ZINC000886249602 653974437 /nfs/dbraw/zinc/97/44/37/653974437.db2.gz OMOBBLZZQKMHIP-PVYXACFKSA-N 1 0 392.265 2.244 20 0 GEADRO COc1c(Br)cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1Br ZINC000886255977 653974790 /nfs/dbraw/zinc/97/47/90/653974790.db2.gz RKKUJTGMIWYAPK-ZSPDNNCOSA-N 1 0 395.091 2.194 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)cnc1Cl ZINC000867705577 653974972 /nfs/dbraw/zinc/97/49/72/653974972.db2.gz OSLSULUYRGUDMR-UHFFFAOYSA-N 1 0 382.873 2.040 20 0 GEADRO Cn1ccn2c(CC[NH2+]Cc3ccc(Br)c(Cl)c3)nnc2c1=O ZINC000886282241 653975424 /nfs/dbraw/zinc/97/54/24/653975424.db2.gz BSTZVLHNQYISMN-UHFFFAOYSA-N 1 0 396.676 2.176 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCSCCC(F)(F)F)CC1 ZINC000867707482 653975652 /nfs/dbraw/zinc/97/56/52/653975652.db2.gz LZCPLRQIVRLJCT-UHFFFAOYSA-N 1 0 383.480 2.121 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1F ZINC000848444526 653976356 /nfs/dbraw/zinc/97/63/56/653976356.db2.gz QXXYZRCMZMHJQD-VXGBXAGGSA-N 1 0 392.880 2.417 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000848441730 653976560 /nfs/dbraw/zinc/97/65/60/653976560.db2.gz USDIKBSCZITPKR-GXFFZTMASA-N 1 0 377.794 2.257 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCN1CCNC1=O ZINC000886324354 653978764 /nfs/dbraw/zinc/97/87/64/653978764.db2.gz LTBLIZWURFJYMA-UHFFFAOYSA-N 1 0 392.301 2.366 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898635265 653979018 /nfs/dbraw/zinc/97/90/18/653979018.db2.gz VJYUUQUDSIYLGK-UHFFFAOYSA-N 1 0 397.313 2.457 20 0 GEADRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)O2 ZINC000886336787 653979089 /nfs/dbraw/zinc/97/90/89/653979089.db2.gz WUYBTEGGMZVTCO-DMVWFOPNSA-N 1 0 388.917 2.050 20 0 GEADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2cncc(Br)c2)CC1 ZINC000867743353 653979786 /nfs/dbraw/zinc/97/97/86/653979786.db2.gz AZBWNIPOAAZWJQ-UHFFFAOYSA-N 1 0 376.320 2.385 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)C1 ZINC000898660487 653979791 /nfs/dbraw/zinc/97/97/91/653979791.db2.gz WCUGJNZWYADEQD-CQSZACIVSA-N 1 0 386.323 2.452 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)CC[C@H]21 ZINC000827220775 653981770 /nfs/dbraw/zinc/98/17/70/653981770.db2.gz UWBYGHNTXIPJEU-IAQYHMDHSA-N 1 0 391.269 2.076 20 0 GEADRO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898723703 653982747 /nfs/dbraw/zinc/98/27/47/653982747.db2.gz HRGZGTWLTHQVSG-AWEZNQCLSA-N 1 0 393.285 2.448 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)CC[C@H]21 ZINC000827256403 653983176 /nfs/dbraw/zinc/98/31/76/653983176.db2.gz WLZXKMRFLFZRMN-NOZJJQNGSA-N 1 0 379.258 2.197 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(I)cc3)CC[C@@H]21 ZINC000827277305 653984160 /nfs/dbraw/zinc/98/41/60/653984160.db2.gz JTVZUSQNCIPAGJ-HIFRSBDPSA-N 1 0 384.261 2.386 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848510922 653984609 /nfs/dbraw/zinc/98/46/09/653984609.db2.gz XZOJOARIJOOSER-LSDHHAIUSA-N 1 0 386.901 2.422 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000848520179 653986505 /nfs/dbraw/zinc/98/65/05/653986505.db2.gz WTMGELQLOVKTAA-LSDHHAIUSA-N 1 0 377.551 2.084 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)c1I ZINC000868015050 654014357 /nfs/dbraw/zinc/01/43/57/654014357.db2.gz KQPBECIFQAVBLH-JTQLQIEISA-N 1 0 390.269 2.187 20 0 GEADRO CN(CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2)C(=O)c1ccc(Br)o1 ZINC000898844697 653988048 /nfs/dbraw/zinc/98/80/48/653988048.db2.gz KGJJLMZTLIXCFX-CHWSQXEVSA-N 1 0 398.301 2.103 20 0 GEADRO O[C@@H]1C[C@H]2CN(C(=S)Nc3ccc(OC(F)F)c(Cl)c3)CC[N@@H+]2C1 ZINC000848650271 653989596 /nfs/dbraw/zinc/98/95/96/653989596.db2.gz MJQHKDQTWIYUEF-WDEREUQCSA-N 1 0 377.844 2.389 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000867807406 653990291 /nfs/dbraw/zinc/99/02/91/653990291.db2.gz JWJVGDCQSGWERK-XHDPSFHLSA-N 1 0 378.416 2.429 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)CC[C@@H]21 ZINC000867807806 653990361 /nfs/dbraw/zinc/99/03/61/653990361.db2.gz LFBXIRKEZXGVRQ-MFKMUULPSA-N 1 0 377.279 2.303 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000867809305 653990651 /nfs/dbraw/zinc/99/06/51/653990651.db2.gz QISSALBMXPMHQG-XHDPSFHLSA-N 1 0 389.315 2.172 20 0 GEADRO O=C1O[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CN1C1CC1 ZINC000848679091 653990848 /nfs/dbraw/zinc/99/08/48/653990848.db2.gz RJLUFKGKZAHCKV-QWHCGFSZSA-N 1 0 375.252 2.306 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)cnc3Cl)CC[C@H]21 ZINC000867811624 653991422 /nfs/dbraw/zinc/99/14/22/653991422.db2.gz DZVGMCZCUKXFCT-MWLCHTKSSA-N 1 0 394.722 2.212 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3Br)CC[C@H]21 ZINC000867814759 653992067 /nfs/dbraw/zinc/99/20/67/653992067.db2.gz SSNBXHJOKWOFDR-ZWNOBZJWSA-N 1 0 377.279 2.303 20 0 GEADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886611087 653993002 /nfs/dbraw/zinc/99/30/02/653993002.db2.gz RZAAQYFSAJQQHX-WFASDCNBSA-N 1 0 378.416 2.377 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc(Cl)n1 ZINC000827484597 653994409 /nfs/dbraw/zinc/99/44/09/653994409.db2.gz CFJSKFVCTDDVPH-WCQYABFASA-N 1 0 378.826 2.434 20 0 GEADRO C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(Br)cs1 ZINC000886699378 653995250 /nfs/dbraw/zinc/99/52/50/653995250.db2.gz ZXGDTLBACDGOEB-VIFPVBQESA-N 1 0 382.287 2.145 20 0 GEADRO Cn1ncc(I)c1C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000796606392 654001656 /nfs/dbraw/zinc/00/16/56/654001656.db2.gz AVIULYLSZXXGDK-JTQLQIEISA-N 1 0 377.226 2.056 20 0 GEADRO [NH2+]=C(NCCc1cccs1)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000849085567 654003900 /nfs/dbraw/zinc/00/39/00/654003900.db2.gz NQQIKYVSGZPRNV-UHFFFAOYSA-N 1 0 378.523 2.145 20 0 GEADRO C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)Oc1cccc(Br)c1 ZINC000849092938 654003940 /nfs/dbraw/zinc/00/39/40/654003940.db2.gz CCLOEIJPQCETGN-AWEZNQCLSA-N 1 0 399.333 2.053 20 0 GEADRO Cc1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1Br ZINC000849088930 654003979 /nfs/dbraw/zinc/00/39/79/654003979.db2.gz YLZMZWPRMBQILI-UHFFFAOYSA-N 1 0 389.301 2.394 20 0 GEADRO [NH2+]=C(NCCc1cccs1)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000849086038 654003983 /nfs/dbraw/zinc/00/39/83/654003983.db2.gz MYTUDROQWSNADW-UHFFFAOYSA-N 1 0 378.523 2.145 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000899202007 654004076 /nfs/dbraw/zinc/00/40/76/654004076.db2.gz SYPQGTIOPKDOMQ-ARFHVFGLSA-N 1 0 393.281 2.226 20 0 GEADRO [NH2+]=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)N1CCSCC1 ZINC000849115845 654005314 /nfs/dbraw/zinc/00/53/14/654005314.db2.gz CGQRGFBOZRKRGP-LBPRGKRZSA-N 1 0 390.322 2.312 20 0 GEADRO CC(C)(CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O ZINC000849117387 654005349 /nfs/dbraw/zinc/00/53/49/654005349.db2.gz CAOGEKSEMLPVOS-UHFFFAOYSA-N 1 0 381.420 2.412 20 0 GEADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000886893272 654007152 /nfs/dbraw/zinc/00/71/52/654007152.db2.gz NEVMGQQXWIKSPN-SECBINFHSA-N 1 0 390.328 2.431 20 0 GEADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000886893273 654007268 /nfs/dbraw/zinc/00/72/68/654007268.db2.gz NEVMGQQXWIKSPN-VIFPVBQESA-N 1 0 390.328 2.431 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000886894545 654007429 /nfs/dbraw/zinc/00/74/29/654007429.db2.gz VPAJENCHEUYWDO-UHFFFAOYSA-N 1 0 396.822 2.242 20 0 GEADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886895423 654007552 /nfs/dbraw/zinc/00/75/52/654007552.db2.gz PCTGQNOUODECND-JTQLQIEISA-N 1 0 383.258 2.281 20 0 GEADRO CN(C)C(=O)C1(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CCCC1 ZINC000867927536 654007776 /nfs/dbraw/zinc/00/77/76/654007776.db2.gz IFWPOIJHLJUGOJ-CQSZACIVSA-N 1 0 382.302 2.214 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(Br)c1 ZINC000886896479 654007729 /nfs/dbraw/zinc/00/77/29/654007729.db2.gz LAIFAOSEZKQPDC-MRVPVSSYSA-N 1 0 387.221 2.111 20 0 GEADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1F ZINC000886896642 654007792 /nfs/dbraw/zinc/00/77/92/654007792.db2.gz PQWTUGSOBHWJNF-QMMMGPOBSA-N 1 0 387.221 2.111 20 0 GEADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OCC(F)(F)F)cc1 ZINC000886896904 654007852 /nfs/dbraw/zinc/00/78/52/654007852.db2.gz YEWLUJPOXKTLOF-JTQLQIEISA-N 1 0 388.358 2.151 20 0 GEADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc(OC(F)(F)F)c1F ZINC000886897932 654008152 /nfs/dbraw/zinc/00/81/52/654008152.db2.gz MGFWRKLTQNNVIB-QMMMGPOBSA-N 1 0 392.321 2.247 20 0 GEADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886899054 654008359 /nfs/dbraw/zinc/00/83/59/654008359.db2.gz ATIKWNREECZWKB-NSHDSACASA-N 1 0 388.358 2.249 20 0 GEADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc2ccnc(Cl)c2c1 ZINC000886899761 654008438 /nfs/dbraw/zinc/00/84/38/654008438.db2.gz UABSWUDPVBGJQF-NSHDSACASA-N 1 0 375.828 2.411 20 0 GEADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCOC1 ZINC000886904154 654008741 /nfs/dbraw/zinc/00/87/41/654008741.db2.gz PUXSIPJOXAUUAJ-NVXWUHKLSA-N 1 0 399.329 2.439 20 0 GEADRO COc1cc(I)ccc1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000867964152 654011148 /nfs/dbraw/zinc/01/11/48/654011148.db2.gz KMLDETLQPWXIBR-WDEREUQCSA-N 1 0 388.249 2.418 20 0 GEADRO CC(=O)N[C@@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1cccc(Br)c1 ZINC000867967601 654011685 /nfs/dbraw/zinc/01/16/85/654011685.db2.gz JLWMVTCQDSFGPA-WBVHZDCISA-N 1 0 382.302 2.132 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000827899009 654012274 /nfs/dbraw/zinc/01/22/74/654012274.db2.gz YIFNAFAEHHXBPW-LBPRGKRZSA-N 1 0 378.416 2.394 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H](C[NH3+])C2CCCC2)c1I ZINC000867978848 654012831 /nfs/dbraw/zinc/01/28/31/654012831.db2.gz XHKKRLUEFCIEDF-GFCCVEGCSA-N 1 0 390.269 2.316 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886986215 654012859 /nfs/dbraw/zinc/01/28/59/654012859.db2.gz AXQAIAIPAUBEAM-JQWIXIFHSA-N 1 0 376.254 2.489 20 0 GEADRO CC(=O)N[C@@H](C(=O)NCCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000867984067 654013081 /nfs/dbraw/zinc/01/30/81/654013081.db2.gz SPAUZEOKQXAWMC-MRXNPFEDSA-N 1 0 382.302 2.132 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCCC2)c1cccc(Br)c1 ZINC000867982316 654013175 /nfs/dbraw/zinc/01/31/75/654013175.db2.gz OWKKKDQKXOSBLP-HZPDHXFCSA-N 1 0 394.313 2.417 20 0 GEADRO C[C@@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000868001646 654013491 /nfs/dbraw/zinc/01/34/91/654013491.db2.gz CERLLSNJDKLOKL-MLGOLLRUSA-N 1 0 381.929 2.359 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000887007809 654014662 /nfs/dbraw/zinc/01/46/62/654014662.db2.gz SLMNCELODZNBJP-JTQLQIEISA-N 1 0 379.766 2.388 20 0 GEADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CC1 ZINC000849349181 654015081 /nfs/dbraw/zinc/01/50/81/654015081.db2.gz VVSPWEMVPYHCLY-GFCCVEGCSA-N 1 0 388.452 2.343 20 0 GEADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1 ZINC000849348837 654015107 /nfs/dbraw/zinc/01/51/07/654015107.db2.gz FGHASYUMYDVZQR-NEPJUHHUSA-N 1 0 388.452 2.389 20 0 GEADRO O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000868035953 654015516 /nfs/dbraw/zinc/01/55/16/654015516.db2.gz XKNLGUMZQQSNOI-TZMCWYRMSA-N 1 0 376.400 2.194 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000887032641 654015633 /nfs/dbraw/zinc/01/56/33/654015633.db2.gz IPYNHCQFWUJUII-JTQLQIEISA-N 1 0 390.228 2.057 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000887035033 654015888 /nfs/dbraw/zinc/01/58/88/654015888.db2.gz FEGOBODIWCMYCU-SNVBAGLBSA-N 1 0 390.228 2.057 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000887035047 654015914 /nfs/dbraw/zinc/01/59/14/654015914.db2.gz FMBAGTVAHACXKF-ZETCQYMHSA-N 1 0 384.185 2.432 20 0 GEADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887041286 654016170 /nfs/dbraw/zinc/01/61/70/654016170.db2.gz WJGTYHUFLCGNCE-AWEZNQCLSA-N 1 0 376.404 2.093 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cnc1Br ZINC000887040626 654016213 /nfs/dbraw/zinc/01/62/13/654016213.db2.gz HMXVWXBPIYWKLC-KRWDZBQOSA-N 1 0 395.301 2.083 20 0 GEADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887041623 654016227 /nfs/dbraw/zinc/01/62/27/654016227.db2.gz AKHIVGXTEGIJIZ-AWEZNQCLSA-N 1 0 376.404 2.093 20 0 GEADRO Cn1ncc(NC(=O)CCCC[NH+]2CCCC2)c1I ZINC000887069502 654019125 /nfs/dbraw/zinc/01/91/25/654019125.db2.gz LQCXZCAFNZRSLI-UHFFFAOYSA-N 1 0 376.242 2.229 20 0 GEADRO CNC(=O)C1([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CCOCC1 ZINC000887087982 654020025 /nfs/dbraw/zinc/02/00/25/654020025.db2.gz HCOXJNPLWNCZLQ-NSHDSACASA-N 1 0 388.295 2.055 20 0 GEADRO O=C(Nc1cnc(Br)c(Br)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868131634 654019996 /nfs/dbraw/zinc/01/99/96/654019996.db2.gz HVTRKZFWEIWECP-YUMQZZPRSA-N 1 0 376.052 2.185 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868156070 654021111 /nfs/dbraw/zinc/02/11/11/654021111.db2.gz UXBFEHYECADZEN-OLZOCXBDSA-N 1 0 391.273 2.388 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000899578258 654022427 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CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cncc(Br)c2)C1 ZINC000849411894 654026425 /nfs/dbraw/zinc/02/64/25/654026425.db2.gz XVBLEJRZBPMZLS-LLVKDONJSA-N 1 0 376.320 2.243 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000849414458 654027139 /nfs/dbraw/zinc/02/71/39/654027139.db2.gz HZEWVYDGKCMALP-UHFFFAOYSA-N 1 0 387.933 2.213 20 0 GEADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NCCSCCC(F)(F)F)cc1 ZINC000868301562 654028807 /nfs/dbraw/zinc/02/88/07/654028807.db2.gz MEWYMZLZOLTJPB-QWHCGFSZSA-N 1 0 375.416 2.242 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000868302685 654029080 /nfs/dbraw/zinc/02/90/80/654029080.db2.gz KMFRKYCGYABZJY-KLPPZKSPSA-N 1 0 384.274 2.028 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000868303681 654029093 /nfs/dbraw/zinc/02/90/93/654029093.db2.gz KKGFFWAHPQYHCZ-DTORHVGOSA-N 1 0 379.766 2.073 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000868305042 654029381 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20 0 GEADRO CC1=C(Br)CN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849585384 654046330 /nfs/dbraw/zinc/04/63/30/654046330.db2.gz LNIQCQXMPYLQOM-LSDHHAIUSA-N 1 0 381.318 2.357 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)Br)[C@@H](c2cnn(C)c2)C1 ZINC000849590857 654046569 /nfs/dbraw/zinc/04/65/69/654046569.db2.gz ALXPFEAZEQGYPV-QWHCGFSZSA-N 1 0 393.276 2.338 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cn1 ZINC000828734329 654048460 /nfs/dbraw/zinc/04/84/60/654048460.db2.gz BAKKNAYZXNZTFZ-IXDOHACOSA-N 1 0 389.297 2.275 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000798062345 654049646 /nfs/dbraw/zinc/04/96/46/654049646.db2.gz QCEFOCNEPFPTDM-LTIDMASMSA-N 1 0 394.313 2.467 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900105578 654050271 /nfs/dbraw/zinc/05/02/71/654050271.db2.gz SJQKBTUNHGGHBH-UHFFFAOYSA-N 1 0 382.291 2.374 20 0 GEADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000798168564 654052402 /nfs/dbraw/zinc/05/24/02/654052402.db2.gz KXDBQKBITIQCTQ-SNVBAGLBSA-N 1 0 396.504 2.358 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCC1SCCS1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000828848332 654053075 /nfs/dbraw/zinc/05/30/75/654053075.db2.gz QGXCUKJLUIGBLI-KBPBESRZSA-N 1 0 385.599 2.068 20 0 GEADRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1nc(Br)ccc1F ZINC000798184284 654053013 /nfs/dbraw/zinc/05/30/13/654053013.db2.gz TWKSUBTVYXTIMC-NWDGAFQWSA-N 1 0 387.297 2.221 20 0 GEADRO C[C@@H](CNC(=O)NCc1ccc(Br)cn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000868750149 654054465 /nfs/dbraw/zinc/05/44/65/654054465.db2.gz FEJYWDJDKRFUSU-RWMBFGLXSA-N 1 0 385.306 2.141 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2COc3cccc(Br)c3C2)C1 ZINC000868750590 654054480 /nfs/dbraw/zinc/05/44/80/654054480.db2.gz RIUJOUIXZPYZFT-UPJWGTAASA-N 1 0 382.302 2.392 20 0 GEADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccnc(Cl)c3Cl)ccn2)CC1 ZINC000900228268 654054537 /nfs/dbraw/zinc/05/45/37/654054537.db2.gz AKOCJBDHRGCFAK-UHFFFAOYSA-N 1 0 380.279 2.465 20 0 GEADRO C[NH+](C)CCn1nccc1N1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000900249740 654056203 /nfs/dbraw/zinc/05/62/03/654056203.db2.gz LFHDIHWJMYEUJG-CQSZACIVSA-N 1 0 392.257 2.005 20 0 GEADRO COc1cc(C[NH+](C)C)ccc1NC(=O)Cn1ccc(Br)cc1=O ZINC000868818812 654057560 /nfs/dbraw/zinc/05/75/60/654057560.db2.gz HXUSPPQRDLXXCX-UHFFFAOYSA-N 1 0 394.269 2.320 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)NCCOc1cccc(Br)c1 ZINC000900312954 654058788 /nfs/dbraw/zinc/05/87/88/654058788.db2.gz QYHBJWHZPAZYKF-UHFFFAOYSA-N 1 0 381.274 2.016 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000798323427 654058870 /nfs/dbraw/zinc/05/88/70/654058870.db2.gz SRZRGYLEQNPWBY-AWEZNQCLSA-N 1 0 387.933 2.372 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829241940 654063117 /nfs/dbraw/zinc/06/31/17/654063117.db2.gz LBUSEGOSRXBIDX-UHFFFAOYSA-N 1 0 382.302 2.337 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)c1nc(C3CC3)ncc1Br)CC2 ZINC000900473993 654066156 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BLBOZZRSBDUMNF-RISCZKNCSA-N 1 0 379.302 2.295 20 0 GEADRO COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCC2 ZINC000850518709 654081105 /nfs/dbraw/zinc/08/11/05/654081105.db2.gz UJGNLEHFWVAGSG-CQSZACIVSA-N 1 0 379.400 2.417 20 0 GEADRO Cc1ccc(OCCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000900802050 654081239 /nfs/dbraw/zinc/08/12/39/654081239.db2.gz HJHSTDIVYYZRJK-ZBFHGGJFSA-N 1 0 398.345 2.277 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000850520067 654081522 /nfs/dbraw/zinc/08/15/22/654081522.db2.gz VHCZQEHYZVGDFS-GFCCVEGCSA-N 1 0 378.416 2.441 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc(OC)c1OC ZINC000850519727 654081541 /nfs/dbraw/zinc/08/15/41/654081541.db2.gz OYHUQAMWFPTMFR-SNVBAGLBSA-N 1 0 385.404 2.340 20 0 GEADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850519784 654081581 /nfs/dbraw/zinc/08/15/81/654081581.db2.gz QHFRKUGBVDVAQX-VIFPVBQESA-N 1 0 387.811 2.019 20 0 GEADRO C[C@H](NC(=O)Cc1c[nH]c2ccc(Br)cc12)[C@H]1C[N@H+](C)CCN1C ZINC000900805144 654081780 /nfs/dbraw/zinc/08/17/80/654081780.db2.gz OGNZCCROOKMWET-YVEFUNNKSA-N 1 0 393.329 2.223 20 0 GEADRO O=C(NCC[C@H](NC1CC1)C(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000900814431 654082421 /nfs/dbraw/zinc/08/24/21/654082421.db2.gz FOCALEBEHHACLN-CABCVRRESA-N 1 0 379.492 2.393 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000850550702 654082749 /nfs/dbraw/zinc/08/27/49/654082749.db2.gz PNAJAOMEBMEFON-NSHDSACASA-N 1 0 383.290 2.080 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000900822821 654083148 /nfs/dbraw/zinc/08/31/48/654083148.db2.gz SDNYYEYUIOYFOD-RISCZKNCSA-N 1 0 387.311 2.307 20 0 GEADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900842345 654084044 /nfs/dbraw/zinc/08/40/44/654084044.db2.gz JOFHIDMHLBTPDW-YPMHNXCESA-N 1 0 378.274 2.354 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(C(C)C)c2I)C1 ZINC000869285797 654084075 /nfs/dbraw/zinc/08/40/75/654084075.db2.gz UIGSPFOIWCQORS-LLVKDONJSA-N 1 0 390.269 2.283 20 0 GEADRO O=S(=O)(c1ccc(Br)o1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000850588618 654084162 /nfs/dbraw/zinc/08/41/62/654084162.db2.gz BQTXHSOTILUPFL-LBPRGKRZSA-N 1 0 377.304 2.442 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cccc3scnc32)C1 ZINC000850590138 654084401 /nfs/dbraw/zinc/08/44/01/654084401.db2.gz XHDMCPBTSSWOOZ-MGPQQGTHSA-N 1 0 381.523 2.346 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000916123035 654084563 /nfs/dbraw/zinc/08/45/63/654084563.db2.gz HBUKWTNTRWVDPX-IUODEOHRSA-N 1 0 397.317 2.478 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)nc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000850607996 654086355 /nfs/dbraw/zinc/08/63/55/654086355.db2.gz XTDVSZWFUWWLRA-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO C[NH+](C)CCCOC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC000916294138 654090408 /nfs/dbraw/zinc/09/04/08/654090408.db2.gz YUGTWLXHWVNEFN-UHFFFAOYSA-N 1 0 377.754 2.443 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@]1(C)CC1(Br)Br ZINC000830015717 654092143 /nfs/dbraw/zinc/09/21/43/654092143.db2.gz BTJXCQROEKINEO-UISBYWKRSA-N 1 0 380.124 2.481 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1OC ZINC000916348223 654092801 /nfs/dbraw/zinc/09/28/01/654092801.db2.gz XBHUUMWWYAKBNH-MFKMUULPSA-N 1 0 386.290 2.358 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000916508522 654097719 /nfs/dbraw/zinc/09/77/19/654097719.db2.gz HSJKRQHNXQRWPU-KURKYZTESA-N 1 0 384.929 2.263 20 0 GEADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCn2ncc(Br)c2C1 ZINC000850753464 654104491 /nfs/dbraw/zinc/10/44/91/654104491.db2.gz DYTVNKGPNQMXIV-UHFFFAOYSA-N 1 0 394.248 2.478 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)Nc2nc3ccc(Cl)nc3s2)CC1(C)C ZINC000888789544 654104919 /nfs/dbraw/zinc/10/49/19/654104919.db2.gz QWRNWLFIDJKEHN-UHFFFAOYSA-N 1 0 382.921 2.492 20 0 GEADRO C[C@H](C(=O)NCc1cc(Br)cc(Br)c1N)[NH+](C)C ZINC000830247258 654108148 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CN1CCN(C(=O)Cc2c[nH]c3ccc(Br)cc23)CC[N@H+](C)CC1 ZINC000888980758 654117941 /nfs/dbraw/zinc/11/79/41/654117941.db2.gz OKCJSGNQKNMKIS-UHFFFAOYSA-N 1 0 393.329 2.179 20 0 GEADRO CN1CCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC[N@H+](C)CC1 ZINC000888979595 654117962 /nfs/dbraw/zinc/11/79/62/654117962.db2.gz ZBAHQORGXMWBQT-CGTJXYLNSA-N 1 0 392.341 2.041 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888986921 654118682 /nfs/dbraw/zinc/11/86/82/654118682.db2.gz ZJMLMIPMIFGABZ-UHFFFAOYSA-N 1 0 398.345 2.096 20 0 GEADRO O=C(CSCC1CC[NH2+]CC1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000830470464 654120312 /nfs/dbraw/zinc/12/03/12/654120312.db2.gz XZNJAGQHTDVGJF-QGZVFWFLSA-N 1 0 380.535 2.063 20 0 GEADRO CC[NH+](CC)CCOC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000917530145 654127179 /nfs/dbraw/zinc/12/71/79/654127179.db2.gz YQNBKYUQBBMJPZ-UHFFFAOYSA-N 1 0 377.304 2.468 20 0 GEADRO CC[NH+](CC)CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000800109075 654129709 /nfs/dbraw/zinc/12/97/09/654129709.db2.gz ONZPFKXJIFYSSZ-UHFFFAOYSA-N 1 0 376.906 2.479 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000917653939 654129781 /nfs/dbraw/zinc/12/97/81/654129781.db2.gz XSZVLYSKKZGQLE-CQSZACIVSA-N 1 0 376.954 2.417 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917652887 654129858 /nfs/dbraw/zinc/12/98/58/654129858.db2.gz ALEZUSQRXRMKMO-QWHCGFSZSA-N 1 0 375.897 2.372 20 0 GEADRO Cn1nc(C(F)(F)F)c(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1Cl ZINC000889212903 654132243 /nfs/dbraw/zinc/13/22/43/654132243.db2.gz WFBXCVDJNUPLFN-QMMMGPOBSA-N 1 0 383.802 2.059 20 0 GEADRO Cn1c(SCC(=O)N2CCC23CC[NH+](C)CC3)nnc1-c1cccs1 ZINC000889224621 654133025 /nfs/dbraw/zinc/13/30/25/654133025.db2.gz PTFJCVHMDKPREQ-UHFFFAOYSA-N 1 0 377.539 2.332 20 0 GEADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3sc4ccccc4c3Cl)C2)CC1 ZINC000917892163 654137095 /nfs/dbraw/zinc/13/70/95/654137095.db2.gz XBIFMMXOOGSDSX-UHFFFAOYSA-N 1 0 399.969 2.423 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C)(C)CS(C)(=O)=O)C1 ZINC000917882123 654137237 /nfs/dbraw/zinc/13/72/37/654137237.db2.gz NHNVBEDWOTVBHV-OAHLLOKOSA-N 1 0 375.579 2.257 20 0 GEADRO O=C1[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)CCN1c1ccccc1 ZINC000901726833 654143458 /nfs/dbraw/zinc/14/34/58/654143458.db2.gz BYBODJSLXBQJTJ-GXTWGEPZSA-N 1 0 375.270 2.356 20 0 GEADRO O=C1[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)CCN1c1ccc(F)cc1 ZINC000901727157 654143584 /nfs/dbraw/zinc/14/35/84/654143584.db2.gz CVRNYIZUPXYIPI-TZMCWYRMSA-N 1 0 393.260 2.495 20 0 GEADRO O[C@@H](C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)c1ccc(F)c(Br)c1 ZINC000830819011 654145128 /nfs/dbraw/zinc/14/51/28/654145128.db2.gz ZJJSMDFCJYOSON-KFZJALRRSA-N 1 0 388.277 2.483 20 0 GEADRO Cc1nc(S(=O)(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)sc1Br ZINC000918361618 654149598 /nfs/dbraw/zinc/14/95/98/654149598.db2.gz ZTDADKYXZFYFGE-CHWSQXEVSA-N 1 0 394.360 2.176 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000918394486 654150351 /nfs/dbraw/zinc/15/03/51/654150351.db2.gz HMELEIBWLFGNFJ-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO COC(=O)c1ccc(OC(=O)COC2CC[NH+](C)CC2)c(Br)c1 ZINC000901837617 654150603 /nfs/dbraw/zinc/15/06/03/654150603.db2.gz UTYLVVFGOJBUTL-UHFFFAOYSA-N 1 0 386.242 2.252 20 0 GEADRO O=C(NCc1ncc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000889714682 654161232 /nfs/dbraw/zinc/16/12/32/654161232.db2.gz QJLHJGJKKMYDPC-CQSZACIVSA-N 1 0 375.270 2.377 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCc2[nH+]ccc(N)c2C1 ZINC000918892717 654164920 /nfs/dbraw/zinc/16/49/20/654164920.db2.gz LAWRLYYCQBTKPA-UHFFFAOYSA-N 1 0 398.282 2.182 20 0 GEADRO O=C(c1cc(F)c(Br)cc1F)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889744961 654166210 /nfs/dbraw/zinc/16/62/10/654166210.db2.gz QEGSFJDDKXYKAH-HUUCEWRRSA-N 1 0 389.240 2.399 20 0 GEADRO Cc1cc(OCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889744894 654166268 /nfs/dbraw/zinc/16/62/68/654166268.db2.gz YMHASUSJIKMALG-DLBZAZTESA-N 1 0 397.313 2.194 20 0 GEADRO CO[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccccc1Br ZINC000889748910 654166694 /nfs/dbraw/zinc/16/66/94/654166694.db2.gz INACXACRCICKMA-IKGGRYGDSA-N 1 0 397.313 2.194 20 0 GEADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851635474 654166737 /nfs/dbraw/zinc/16/67/37/654166737.db2.gz LOTUPDMJEACQAL-KRWDZBQOSA-N 1 0 381.270 2.436 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2CSCCS2)cc1 ZINC000851657613 654168111 /nfs/dbraw/zinc/16/81/11/654168111.db2.gz HRCCOKVLAGAEBG-ULQDDVLXSA-N 1 0 381.567 2.289 20 0 GEADRO Cc1ccc(CC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889755102 654168282 /nfs/dbraw/zinc/16/82/82/654168282.db2.gz DISWMJREBRMAEF-DLBZAZTESA-N 1 0 381.314 2.358 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851679772 654169138 /nfs/dbraw/zinc/16/91/38/654169138.db2.gz FPMUNYRYHZUCBU-KKZNHRDASA-N 1 0 383.128 2.132 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889768734 654171234 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O=C(c1csc(I)n1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889824240 654181418 /nfs/dbraw/zinc/18/14/18/654181418.db2.gz BUHZHHHYPGJMHM-UHFFFAOYSA-N 1 0 391.278 2.494 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1 ZINC000870571334 654181762 /nfs/dbraw/zinc/18/17/62/654181762.db2.gz KWMACRMFPJVEST-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO O=C(COC(=O)c1cc(Br)ccc1O)NC1CC[NH+](C2CC2)CC1 ZINC000919521918 654183552 /nfs/dbraw/zinc/18/35/52/654183552.db2.gz LHFIXVUSLQCJPB-UHFFFAOYSA-N 1 0 397.269 2.055 20 0 GEADRO O=S(=O)(c1c[nH]nc1Cl)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000831502048 654188529 /nfs/dbraw/zinc/18/85/29/654188529.db2.gz XHSVSLZFVFHGDM-QGZVFWFLSA-N 1 0 380.901 2.350 20 0 GEADRO Cc1nc(C(C)C)sc1C(=O)CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000919693528 654189329 /nfs/dbraw/zinc/18/93/29/654189329.db2.gz WPQFVWXTLVGMGN-KRWDZBQOSA-N 1 0 385.555 2.163 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000851852127 654191872 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[NH3+][C@H](C(=O)NCCc1cn2c(n1)CCCC2)c1cccc(Br)c1 ZINC000870862321 654200943 /nfs/dbraw/zinc/20/09/43/654200943.db2.gz JXHVFUZCHQTLEZ-INIZCTEOSA-N 1 0 377.286 2.341 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)c1cccc(Br)c1 ZINC000870867738 654201406 /nfs/dbraw/zinc/20/14/06/654201406.db2.gz KMCCIFSTOYYHCZ-ZBFHGGJFSA-N 1 0 394.313 2.214 20 0 GEADRO CCO[C@@H](CNC(=O)c1c(F)ccc(Br)c1OC)C[NH+](C)C ZINC000831707368 654201461 /nfs/dbraw/zinc/20/14/61/654201461.db2.gz DAAOXMWGRQVLBS-JTQLQIEISA-N 1 0 377.254 2.293 20 0 GEADRO CCO[C@@H](CNC(=O)c1ccc(C(F)(F)Br)nc1)C[NH+](C)C ZINC000831708948 654201728 /nfs/dbraw/zinc/20/17/28/654201728.db2.gz VTUUATLGNZVUDY-NSHDSACASA-N 1 0 380.233 2.222 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[N@@H+]1C ZINC000920074253 654201918 /nfs/dbraw/zinc/20/19/18/654201918.db2.gz UPJXWDQEYZCRBS-MFKMUULPSA-N 1 0 393.289 2.126 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870878448 654202045 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C[NH+](C)C[C@@](C)(O)CNC(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902909320 654203559 /nfs/dbraw/zinc/20/35/59/654203559.db2.gz RQXDEBIJPFQKKI-LBPRGKRZSA-N 1 0 389.752 2.274 20 0 GEADRO CCO[C@@H](CNC(=O)CCc1ccc(Br)cc1OC)C[NH+](C)C ZINC000831730960 654204030 /nfs/dbraw/zinc/20/40/30/654204030.db2.gz JXNATXQDWTWMHD-HNNXBMFYSA-N 1 0 387.318 2.473 20 0 GEADRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]([NH3+])c1cccc(Br)c1)CC2 ZINC000870892307 654206186 /nfs/dbraw/zinc/20/61/86/654206186.db2.gz SRAXGANFAIDIDV-XHSDSOJGSA-N 1 0 397.313 2.227 20 0 GEADRO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000890201048 654207287 /nfs/dbraw/zinc/20/72/87/654207287.db2.gz JDLSPTPMARANAC-OAHLLOKOSA-N 1 0 395.301 2.050 20 0 GEADRO CC[N@H+](CC(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1)C1CC1 ZINC000890202323 654207364 /nfs/dbraw/zinc/20/73/64/654207364.db2.gz DGNYRJAOUANTSJ-UHFFFAOYSA-N 1 0 395.223 2.491 20 0 GEADRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cc(Br)nn3C)C2)c1 ZINC000870911644 654207345 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390.908 2.237 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)c2csc(C3CC[NH2+]CC3)n2)s1 ZINC000870928417 654208259 /nfs/dbraw/zinc/20/82/59/654208259.db2.gz WEAITNQTZIVSOK-UHFFFAOYSA-N 1 0 385.536 2.005 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCn3ncc(Br)c3C2)c1 ZINC000851954906 654208405 /nfs/dbraw/zinc/20/84/05/654208405.db2.gz YNTPFJRFGVURTG-UHFFFAOYSA-N 1 0 392.301 2.433 20 0 GEADRO CCO[C@H](CNC(=O)COc1ccc(F)cc1Br)C[NH+](C)C ZINC000831776043 654208539 /nfs/dbraw/zinc/20/85/39/654208539.db2.gz DBSQQIVXJJNFOP-GFCCVEGCSA-N 1 0 377.254 2.050 20 0 GEADRO Cc1cccc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1Cl ZINC000920276363 654208578 /nfs/dbraw/zinc/20/85/78/654208578.db2.gz WMXVTBZTMLUWFS-KJWYOANISA-N 1 0 386.945 2.406 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(Br)c1 ZINC000870931634 654208677 /nfs/dbraw/zinc/20/86/77/654208677.db2.gz YVHIIJVBTNZOBK-VNQPRFMTSA-N 1 0 397.313 2.133 20 0 GEADRO CC(C)[C@@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[NH+]1CCC(C)CC1 ZINC000851959767 654208705 /nfs/dbraw/zinc/20/87/05/654208705.db2.gz WPJCDVSZEGOSCZ-DLUDVSRJSA-N 1 0 385.496 2.353 20 0 GEADRO CCS(=O)(=O)NC1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000903006567 654208932 /nfs/dbraw/zinc/20/89/32/654208932.db2.gz NEGBJEJELDYGER-UHFFFAOYSA-N 1 0 380.432 2.488 20 0 GEADRO CSc1ccc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000920283036 654209101 /nfs/dbraw/zinc/20/91/01/654209101.db2.gz VSOHBXNVLAOALW-ZJPYXAASSA-N 1 0 384.567 2.167 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1I ZINC000870936558 654209128 /nfs/dbraw/zinc/20/91/28/654209128.db2.gz MHCGBTHQENCJQB-WDEREUQCSA-N 1 0 390.269 2.268 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1cccc(Br)c1 ZINC000870936747 654209540 /nfs/dbraw/zinc/20/95/40/654209540.db2.gz OLGKFTKLFNDDBP-PJODQICGSA-N 1 0 382.302 2.212 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903013127 654210089 /nfs/dbraw/zinc/21/00/89/654210089.db2.gz XGENBQJRYSQZNU-RYUDHWBXSA-N 1 0 383.290 2.088 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@](O)(C(N)=O)c1ccccc1 ZINC000851976869 654210268 /nfs/dbraw/zinc/21/02/68/654210268.db2.gz ZTVBKOBEOBCEFO-KZULUSFZSA-N 1 0 393.281 2.481 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000870942254 654210884 /nfs/dbraw/zinc/21/08/84/654210884.db2.gz JLJNIHDSDSXGRX-BBRMVZONSA-N 1 0 382.302 2.214 20 0 GEADRO O=C(c1c(F)ccc(I)c1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000870943109 654211233 /nfs/dbraw/zinc/21/12/33/654211233.db2.gz XEDLORMXBJANAJ-OCAPTIKFSA-N 1 0 394.615 2.375 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H](c2nccs2)C(F)(F)F)C[C@@H]1C ZINC000831840066 654213322 /nfs/dbraw/zinc/21/33/22/654213322.db2.gz KJAZLIIAKZUMGP-GRYCIOLGSA-N 1 0 380.436 2.497 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1I ZINC000870947761 654213590 /nfs/dbraw/zinc/21/35/90/654213590.db2.gz IKPHXDIQDZVLHV-UHFFFAOYSA-N 1 0 388.253 2.037 20 0 GEADRO C[C@@H]1[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC000903049815 654213540 /nfs/dbraw/zinc/21/35/40/654213540.db2.gz IHEXNKATYGZNKH-NEPJUHHUSA-N 1 0 388.452 2.341 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000852025169 654214070 /nfs/dbraw/zinc/21/40/70/654214070.db2.gz XDHSRRLENVVIRK-VWLOTQADSA-N 1 0 383.480 2.251 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000870953243 654214241 /nfs/dbraw/zinc/21/42/41/654214241.db2.gz QNTRKJXQZKMWGW-UHFFFAOYSA-N 1 0 387.933 2.228 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000870959522 654214414 /nfs/dbraw/zinc/21/44/14/654214414.db2.gz KPFCGUFZHYBSDM-AWEZNQCLSA-N 1 0 387.571 2.042 20 0 GEADRO O=C(NCCC[NH2+][C@@H]1CCO[C@@]12CCOC2)c1cccc(Br)c1 ZINC000903086396 654215392 /nfs/dbraw/zinc/21/53/92/654215392.db2.gz OBFCWRVJNLJWHS-NVXWUHKLSA-N 1 0 383.286 2.107 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903093024 654215673 /nfs/dbraw/zinc/21/56/73/654215673.db2.gz OVKVIXXHGWBDEY-FUHWJXTLSA-N 1 0 397.313 2.335 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000903087101 654215850 /nfs/dbraw/zinc/21/58/50/654215850.db2.gz JXEFFUOYVAXFLN-UHFFFAOYSA-N 1 0 377.532 2.182 20 0 GEADRO C[N@H+](CCc1cccc(Br)c1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852072839 654216429 /nfs/dbraw/zinc/21/64/29/654216429.db2.gz KMSWMPKSKADMCO-GOSISDBHSA-N 1 0 377.282 2.297 20 0 GEADRO Brc1ccc(C[NH2+][C@H]2CCO[C@]23CCOC3)c(N2CCOCC2)c1 ZINC000903124582 654218683 /nfs/dbraw/zinc/21/86/83/654218683.db2.gz HMAYPRZVUGAZOI-ROUUACIJSA-N 1 0 397.313 2.323 20 0 GEADRO C[C@@H]1CN(CCn2cnc(Br)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000852140052 654220737 /nfs/dbraw/zinc/22/07/37/654220737.db2.gz HLABSBSSAOIIIA-OAHLLOKOSA-N 1 0 378.318 2.495 20 0 GEADRO OCC1([C@@H]([NH2+]CCn2cnc(Br)n2)c2ccccc2)CCOCC1 ZINC000852175781 654223603 /nfs/dbraw/zinc/22/36/03/654223603.db2.gz KZUXTKPACIRNLC-HNNXBMFYSA-N 1 0 395.301 2.161 20 0 GEADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000903172794 654223795 /nfs/dbraw/zinc/22/37/95/654223795.db2.gz FHATYGPRBFHIPB-GJZGRUSLSA-N 1 0 380.432 2.278 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)C[C@@H]([NH3+])C3CC3)C2=O)ccc1Br ZINC000832013396 654224813 /nfs/dbraw/zinc/22/48/13/654224813.db2.gz JVPXFGCGJDTXTL-CABCVRRESA-N 1 0 380.286 2.106 20 0 GEADRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cn(C)nc1Br ZINC000903187315 654224938 /nfs/dbraw/zinc/22/49/38/654224938.db2.gz AKXOVMFIZUYYIO-NSHDSACASA-N 1 0 391.269 2.347 20 0 GEADRO OC[C@H](C[NH2+][C@@H]1CCO[C@]12CCOC2)Cc1ccc(F)c(Br)c1 ZINC000903187224 654224975 /nfs/dbraw/zinc/22/49/75/654224975.db2.gz SGPOQWPUKGSXHM-XKQJLSEDSA-N 1 0 388.277 2.277 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1Cl ZINC000903204536 654226665 /nfs/dbraw/zinc/22/66/65/654226665.db2.gz SDPGPHQFZWCZIM-UHFFFAOYSA-N 1 0 387.889 2.377 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)[C@H](C)c1nc2ccccc2s1 ZINC000903229773 654230341 /nfs/dbraw/zinc/23/03/41/654230341.db2.gz OZNCEYDDHVXYAF-RYUDHWBXSA-N 1 0 389.568 2.435 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@H]2CCCN3CCSC[C@@H]23)ccc1S(C)(=O)=O ZINC000903271525 654231941 /nfs/dbraw/zinc/23/19/41/654231941.db2.gz MTUIEHOQTKRENG-BPUTZDHNSA-N 1 0 384.567 2.329 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000903261908 654232007 /nfs/dbraw/zinc/23/20/07/654232007.db2.gz BGMNVTGKEKYKSE-GYMHETDLSA-N 1 0 383.501 2.135 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903269870 654232018 /nfs/dbraw/zinc/23/20/18/654232018.db2.gz AOLKSWSJFDZRAY-BMGDILEWSA-N 1 0 383.583 2.167 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000903273380 654232141 /nfs/dbraw/zinc/23/21/41/654232141.db2.gz YCPVICQRXFPWSE-BHYGNILZSA-N 1 0 383.583 2.181 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000852331978 654232340 /nfs/dbraw/zinc/23/23/40/654232340.db2.gz FGGLGZAFWKONFP-CQSZACIVSA-N 1 0 384.322 2.352 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@@]2(CO)COCCN2C)ccc1SC(F)F ZINC000903279141 654232461 /nfs/dbraw/zinc/23/24/61/654232461.db2.gz IOLQGEJAAGSJQT-SJKOYZFVSA-N 1 0 376.469 2.354 20 0 GEADRO C[N@H+](CC(=O)N[C@](C)(CO)c1cccc(Br)c1)[C@H]1CCSC1 ZINC000890631491 654234538 /nfs/dbraw/zinc/23/45/38/654234538.db2.gz FMRNYPXXOAGKEB-GOEBONIOSA-N 1 0 387.343 2.210 20 0 GEADRO CO[C@@]1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCS(=O)(=O)C1 ZINC000903368529 654236932 /nfs/dbraw/zinc/23/69/32/654236932.db2.gz OJPTYGUKCANZNI-JKSUJKDBSA-N 1 0 388.327 2.100 20 0 GEADRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000852430902 654238543 /nfs/dbraw/zinc/23/85/43/654238543.db2.gz NLJOGQWJMZUHSD-NEPJUHHUSA-N 1 0 375.252 2.260 20 0 GEADRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000852432304 654239187 /nfs/dbraw/zinc/23/91/87/654239187.db2.gz YHUOKLJHKBJTOQ-QWHCGFSZSA-N 1 0 375.252 2.260 20 0 GEADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000903490891 654241013 /nfs/dbraw/zinc/24/10/13/654241013.db2.gz LSIADSVTZJJCRH-RVPKQNPDSA-N 1 0 386.279 2.144 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000903513085 654244516 /nfs/dbraw/zinc/24/45/16/654244516.db2.gz QOCGFXNPYCSTOH-JTQLQIEISA-N 1 0 395.294 2.359 20 0 GEADRO OC1(C[NH+]2CCC(n3nncc3I)CC2)CCCCC1 ZINC000852532809 654246510 /nfs/dbraw/zinc/24/65/10/654246510.db2.gz QSJDYMKBAINGMY-UHFFFAOYSA-N 1 0 390.269 2.215 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1F ZINC000903517785 654246535 /nfs/dbraw/zinc/24/65/35/654246535.db2.gz LRBNOFKTLLZFCK-IUCAKERBSA-N 1 0 381.267 2.145 20 0 GEADRO OCCCCCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852533509 654247574 /nfs/dbraw/zinc/24/75/74/654247574.db2.gz ZYDIHYDSVDHURH-UHFFFAOYSA-N 1 0 378.258 2.072 20 0 GEADRO COC(=O)N(C)CCN(C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000852574049 654248056 /nfs/dbraw/zinc/24/80/56/654248056.db2.gz ZAHBYJJKMSUEBK-LBPRGKRZSA-N 1 0 386.290 2.256 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000921330262 654249383 /nfs/dbraw/zinc/24/93/83/654249383.db2.gz FXIFEPMOEMJEPQ-ZIAGYGMSSA-N 1 0 384.322 2.307 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1F ZINC000903526026 654249991 /nfs/dbraw/zinc/24/99/91/654249991.db2.gz ZUHFAUPASGDNJU-BXUZGUMPSA-N 1 0 393.278 2.160 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)NCC2([NH3+])CC2)c(Br)c1 ZINC000903527805 654250434 /nfs/dbraw/zinc/25/04/34/654250434.db2.gz WGMXXBKQRPFCSW-UHFFFAOYSA-N 1 0 398.120 2.290 20 0 GEADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1nc(C2CC2)ncc1Br ZINC000871674029 654250902 /nfs/dbraw/zinc/25/09/02/654250902.db2.gz RCGPCWRNIGIUBM-GFCCVEGCSA-N 1 0 395.301 2.005 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000903538170 654251528 /nfs/dbraw/zinc/25/15/28/654251528.db2.gz PWXNWWGTJTXHNA-UHFFFAOYSA-N 1 0 397.722 2.231 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544095 654252930 /nfs/dbraw/zinc/25/29/30/654252930.db2.gz GHVIQZVNBGBBIT-CYBMUJFWSA-N 1 0 376.881 2.057 20 0 GEADRO O=S(=O)(c1ccc(Br)s1)N1CC[NH2+]CCC12CCOCC2 ZINC000903546264 654253360 /nfs/dbraw/zinc/25/33/60/654253360.db2.gz HZJCGYVCNSAYAE-UHFFFAOYSA-N 1 0 395.344 2.044 20 0 GEADRO O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CC[NH2+]CCC12CCOCC2 ZINC000903549678 654253949 /nfs/dbraw/zinc/25/39/49/654253949.db2.gz OQVNSNOFVRLOCE-UHFFFAOYSA-N 1 0 378.416 2.297 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000903549079 654254021 /nfs/dbraw/zinc/25/40/21/654254021.db2.gz WADWYBMARPBSPX-GHMZBOCLSA-N 1 0 375.878 2.042 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903555833 654254938 /nfs/dbraw/zinc/25/49/38/654254938.db2.gz CYQJAOLUEVSLGA-NXEZZACHSA-N 1 0 395.294 2.202 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)cc1Cl ZINC000903556902 654255292 /nfs/dbraw/zinc/25/52/92/654255292.db2.gz LKNDCLKPNZVFBO-UHFFFAOYSA-N 1 0 389.880 2.248 20 0 GEADRO C[C@]12CCN(C(=O)C[C@H]3CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852901816 654266588 /nfs/dbraw/zinc/26/65/88/654266588.db2.gz SBJHIWVXLXUOJZ-FOGDFJRCSA-N 1 0 380.124 2.341 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)c1F ZINC000903557661 654255612 /nfs/dbraw/zinc/25/56/12/654255612.db2.gz GFZGNSDGJYYDFT-UHFFFAOYSA-N 1 0 390.864 2.076 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C[C@H]1C(F)(F)F ZINC000903570313 654257581 /nfs/dbraw/zinc/25/75/81/654257581.db2.gz AOSGGOGUORJZKD-HTQZYQBOSA-N 1 0 385.820 2.460 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCC2(n3cc(Br)cn3)CC2)C[N@@H+]1C1CC1 ZINC000921384327 654258032 /nfs/dbraw/zinc/25/80/32/654258032.db2.gz MSGUULUTSNLQDA-AAEUAGOBSA-N 1 0 382.306 2.059 20 0 GEADRO O=S(=O)(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1Cl ZINC000903573153 654258852 /nfs/dbraw/zinc/25/88/52/654258852.db2.gz GHAKEOAEUICJQI-SUMWQHHRSA-N 1 0 379.869 2.269 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000903577753 654259980 /nfs/dbraw/zinc/25/99/80/654259980.db2.gz UMZRRPNPEWBURH-QWRGUYRKSA-N 1 0 387.221 2.349 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000903577696 654260027 /nfs/dbraw/zinc/26/00/27/654260027.db2.gz REAVCVDRWGILKA-WDEREUQCSA-N 1 0 387.221 2.349 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(OC)ccc1Br ZINC000903577419 654260108 /nfs/dbraw/zinc/26/01/08/654260108.db2.gz KCBCMNGGQZZJQZ-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852802131 654260840 /nfs/dbraw/zinc/26/08/40/654260840.db2.gz KHFWRIORWHGQRT-LLVKDONJSA-N 1 0 387.267 2.274 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CC[C@@H]1C(F)(F)F ZINC000903578852 654261063 /nfs/dbraw/zinc/26/10/63/654261063.db2.gz KNWMKPSZJWKICN-DTWKUNHWSA-N 1 0 392.321 2.327 20 0 GEADRO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903579140 654261116 /nfs/dbraw/zinc/26/11/16/654261116.db2.gz LWKNBRJJBHXYIR-QWHCGFSZSA-N 1 0 382.452 2.056 20 0 GEADRO C[C@]12CCN(C(=O)C[C@@H]3CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852901817 654266639 /nfs/dbraw/zinc/26/66/39/654266639.db2.gz SBJHIWVXLXUOJZ-UMNHJUIQSA-N 1 0 380.124 2.341 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903580544 654261751 /nfs/dbraw/zinc/26/17/51/654261751.db2.gz VPDTVDMSDDJPTC-JQWIXIFHSA-N 1 0 384.807 2.443 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)cc2s1 ZINC000871810096 654261942 /nfs/dbraw/zinc/26/19/42/654261942.db2.gz HYVKWIMVZDVMST-CYBMUJFWSA-N 1 0 381.523 2.042 20 0 GEADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)c(C(F)F)c1 ZINC000871809092 654262027 /nfs/dbraw/zinc/26/20/27/654262027.db2.gz PQCIHRQFFNJBDX-NSHDSACASA-N 1 0 378.416 2.200 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)c(Cl)cc1Cl ZINC000903583697 654262802 /nfs/dbraw/zinc/26/28/02/654262802.db2.gz DHMLIVRVHSHJON-LBPRGKRZSA-N 1 0 381.281 2.138 20 0 GEADRO CCOc1ccc(Br)cc1CN(C(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852835582 654262837 /nfs/dbraw/zinc/26/28/37/654262837.db2.gz IWAXFPONWRFLQK-CQSZACIVSA-N 1 0 396.285 2.442 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cscc2Br)C[C@@H]1C(F)(F)F ZINC000871812652 654263179 /nfs/dbraw/zinc/26/31/79/654263179.db2.gz JHUIYRNCAUIFMQ-RQJHMYQMSA-N 1 0 393.250 2.268 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903584563 654263122 /nfs/dbraw/zinc/26/31/22/654263122.db2.gz OQNDRYZDWXEIMF-ZDUSSCGKSA-N 1 0 377.304 2.124 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)Cc1cccc(F)c1Br ZINC000903584118 654263173 /nfs/dbraw/zinc/26/31/73/654263173.db2.gz IAEBRKOBFIVTLH-SMDDNHRTSA-N 1 0 377.279 2.231 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903584562 654263228 /nfs/dbraw/zinc/26/32/28/654263228.db2.gz OQNDRYZDWXEIMF-CYBMUJFWSA-N 1 0 377.304 2.124 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CC(C)(C)[NH3+])ccc1Cl ZINC000852841751 654263402 /nfs/dbraw/zinc/26/34/02/654263402.db2.gz KJZUTJJIOWSKIL-UHFFFAOYSA-N 1 0 375.922 2.180 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@@H]1C(F)(F)F ZINC000871813790 654264011 /nfs/dbraw/zinc/26/40/11/654264011.db2.gz YDIDLFQNCZQQRW-APPZFPTMSA-N 1 0 392.321 2.185 20 0 GEADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000852875322 654264329 /nfs/dbraw/zinc/26/43/29/654264329.db2.gz IKDRUFYOHJMDCJ-KRWDZBQOSA-N 1 0 375.270 2.460 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C[C@H]1C(F)(F)F ZINC000871814475 654264356 /nfs/dbraw/zinc/26/43/56/654264356.db2.gz UZYKWEZZHZNBTK-UONOGXRCSA-N 1 0 383.480 2.347 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903589234 654264530 /nfs/dbraw/zinc/26/45/30/654264530.db2.gz NPAOTTQHNOPQDD-XHDPSFHLSA-N 1 0 389.315 2.268 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000871816052 654264704 /nfs/dbraw/zinc/26/47/04/654264704.db2.gz BVWASUSERMLJOX-KBPBESRZSA-N 1 0 375.288 2.021 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000903590507 654264730 /nfs/dbraw/zinc/26/47/30/654264730.db2.gz YOXSJMXNXGWUBI-UHFFFAOYSA-N 1 0 382.404 2.111 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903589849 654264801 /nfs/dbraw/zinc/26/48/01/654264801.db2.gz ZRTKHJAUMKXPOW-JTQLQIEISA-N 1 0 384.454 2.000 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903590420 654264818 /nfs/dbraw/zinc/26/48/18/654264818.db2.gz WCSOAQPRLNXZMX-YMTOWFKASA-N 1 0 393.278 2.099 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c(Br)c1 ZINC000871816536 654264878 /nfs/dbraw/zinc/26/48/78/654264878.db2.gz GNVMLAUIBRFYDB-KBPBESRZSA-N 1 0 375.288 2.021 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000903590554 654264862 /nfs/dbraw/zinc/26/48/62/654264862.db2.gz ZQFFUCXLOQKEBP-ZDUSSCGKSA-N 1 0 378.922 2.372 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871818533 654265193 /nfs/dbraw/zinc/26/51/93/654265193.db2.gz HNYNILPEANFEKQ-UONOGXRCSA-N 1 0 393.278 2.160 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871817797 654265197 /nfs/dbraw/zinc/26/51/97/654265197.db2.gz UHYCFBNVGKLXFM-YOEHRIQHSA-N 1 0 381.885 2.460 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1Br ZINC000871820332 654265706 /nfs/dbraw/zinc/26/57/06/654265706.db2.gz NKNXDRRIOWPKDJ-LSDHHAIUSA-N 1 0 387.299 2.215 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CCC[C@]12CC[NH2+]C2 ZINC000903593099 654265658 /nfs/dbraw/zinc/26/56/58/654265658.db2.gz WIYONSZEFNITBK-OAHLLOKOSA-N 1 0 384.299 2.447 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592773 654265735 /nfs/dbraw/zinc/26/57/35/654265735.db2.gz RADDRZCBXQHMRD-AWEZNQCLSA-N 1 0 377.279 2.246 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903593710 654266008 /nfs/dbraw/zinc/26/60/08/654266008.db2.gz TUEYUKDLQQGDEF-CXAGYDPISA-N 1 0 388.917 2.270 20 0 GEADRO COc1ncc(S(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)cc1Cl ZINC000903598592 654266062 /nfs/dbraw/zinc/26/60/62/654266062.db2.gz DLNOKCAJEGHHHI-UHFFFAOYSA-N 1 0 381.885 2.386 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000852909315 654268075 /nfs/dbraw/zinc/26/80/75/654268075.db2.gz QXTBPPFPTUXANH-ZDUSSCGKSA-N 1 0 379.258 2.404 20 0 GEADRO CC[NH+]1CCC(NC(=O)CCc2nc(CSC)no2)(C(F)(F)F)CC1 ZINC000891209028 654271823 /nfs/dbraw/zinc/27/18/23/654271823.db2.gz HVNDLUKOEIOCJC-UHFFFAOYSA-N 1 0 380.436 2.398 20 0 GEADRO CC[NH+]1CCC(NC(=O)Cn2cc(Br)cn2)(C(F)(F)F)CC1 ZINC000891205725 654271928 /nfs/dbraw/zinc/27/19/28/654271928.db2.gz ICKXPRIKOREORD-UHFFFAOYSA-N 1 0 383.212 2.179 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(C)cc1I ZINC000921503439 654275563 /nfs/dbraw/zinc/27/55/63/654275563.db2.gz QUFRPDJCCPHLNL-LBPRGKRZSA-N 1 0 393.290 2.432 20 0 GEADRO OC[C@H](C[NH2+]C[C@H](O)c1ccccn1)Cc1ccc(F)c(Br)c1 ZINC000853108839 654279195 /nfs/dbraw/zinc/27/91/95/654279195.db2.gz CHQCXVSYDAMXIA-GUYCJALGSA-N 1 0 383.261 2.457 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)c1ccccn1)Cc1ccc(F)c(Br)c1 ZINC000853108838 654279253 /nfs/dbraw/zinc/27/92/53/654279253.db2.gz CHQCXVSYDAMXIA-DYVFJYSZSA-N 1 0 383.261 2.457 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC1 ZINC000832591692 654279718 /nfs/dbraw/zinc/27/97/18/654279718.db2.gz HDUQKXIJOYAKRL-LBPRGKRZSA-N 1 0 385.917 2.079 20 0 GEADRO O=C1N(CC[NH2+]C[C@H](O)c2cccc(Br)c2)C[C@H]2CCCCN12 ZINC000853118841 654280156 /nfs/dbraw/zinc/28/01/56/654280156.db2.gz RZEGGKMWCIWKNE-CVEARBPZSA-N 1 0 382.302 2.362 20 0 GEADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903715629 654280539 /nfs/dbraw/zinc/28/05/39/654280539.db2.gz KLCBJOQEFKXSKZ-MNOVXSKESA-N 1 0 397.850 2.488 20 0 GEADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903715631 654280671 /nfs/dbraw/zinc/28/06/71/654280671.db2.gz KLCBJOQEFKXSKZ-WDEREUQCSA-N 1 0 397.850 2.488 20 0 GEADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903718273 654280929 /nfs/dbraw/zinc/28/09/29/654280929.db2.gz JSEQVTSFMJPUQK-CYBMUJFWSA-N 1 0 377.963 2.098 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903716097 654281015 /nfs/dbraw/zinc/28/10/15/654281015.db2.gz QXRQMQBUJWKQNP-ZJUUUORDSA-N 1 0 383.823 2.098 20 0 GEADRO OCCN(Cc1cc(Br)ccc1F)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725562 654281393 /nfs/dbraw/zinc/28/13/93/654281393.db2.gz CXCZXHOCVXIXDZ-NVXWUHKLSA-N 1 0 387.293 2.151 20 0 GEADRO OCCN(Cc1cc(Br)ccc1F)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725564 654281582 /nfs/dbraw/zinc/28/15/82/654281582.db2.gz CXCZXHOCVXIXDZ-WBVHZDCISA-N 1 0 387.293 2.151 20 0 GEADRO COC(=O)C1CC[NH+](CCCNc2ncnc(F)c2Br)CC1 ZINC000853163238 654282802 /nfs/dbraw/zinc/28/28/02/654282802.db2.gz HKYLYEHMMCRLLH-UHFFFAOYSA-N 1 0 375.242 2.065 20 0 GEADRO O[C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777036 654283211 /nfs/dbraw/zinc/28/32/11/654283211.db2.gz ZGUZBNRVDRCTHO-BSDSXHPESA-N 1 0 381.314 2.325 20 0 GEADRO C[NH+]1CCN(c2cccc(C(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2)CC1 ZINC000803548637 654284112 /nfs/dbraw/zinc/28/41/12/654284112.db2.gz HDYQAGXORJWOPB-WMLDXEAASA-N 1 0 383.323 2.489 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000903831346 654284603 /nfs/dbraw/zinc/28/46/03/654284603.db2.gz RCJDBQNMUDTZEL-ZDUSSCGKSA-N 1 0 381.325 2.077 20 0 GEADRO CC(C)[C@@H](C(=O)N[C@H](CO)c1ccccc1I)[NH+](C)C ZINC000891324533 654286630 /nfs/dbraw/zinc/28/66/30/654286630.db2.gz HVBOCOBVTVRZKK-KGLIPLIRSA-N 1 0 390.265 2.027 20 0 GEADRO CC(C)(C)[NH2+]CCC(=O)N[C@H](CO)c1ccccc1I ZINC000891324605 654286673 /nfs/dbraw/zinc/28/66/73/654286673.db2.gz IWHMRJOXZKJKGX-CYBMUJFWSA-N 1 0 390.265 2.219 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000853234366 654288203 /nfs/dbraw/zinc/28/82/03/654288203.db2.gz DQFPMWQJZVKLQL-UOXLDJKESA-N 1 0 397.488 2.495 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832717879 654289912 /nfs/dbraw/zinc/28/99/12/654289912.db2.gz MZPHQNPFPUDJAW-CQSZACIVSA-N 1 0 377.551 2.036 20 0 GEADRO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903904171 654291149 /nfs/dbraw/zinc/29/11/49/654291149.db2.gz QHHRWTWXKLTJSQ-GDBMZVCRSA-N 1 0 375.847 2.154 20 0 GEADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903905902 654291551 /nfs/dbraw/zinc/29/15/51/654291551.db2.gz PTJKTRPNQBESHV-AGUYFDCRSA-N 1 0 389.974 2.238 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(C)cnc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000832742256 654292490 /nfs/dbraw/zinc/29/24/90/654292490.db2.gz DLZDQZYWDZVETR-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCc2sc(C[NH3+])nc2C1 ZINC000903941245 654292976 /nfs/dbraw/zinc/29/29/76/654292976.db2.gz SWGDSTJEVILYLZ-UHFFFAOYSA-N 1 0 375.420 2.143 20 0 GEADRO Brc1c(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)nc2ccccn21 ZINC000903970208 654293321 /nfs/dbraw/zinc/29/33/21/654293321.db2.gz SGQWSRYNPSFJLZ-CYBMUJFWSA-N 1 0 379.302 2.345 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891447698 654294019 /nfs/dbraw/zinc/29/40/19/654294019.db2.gz XVHSUOMQNDAYRG-KGLIPLIRSA-N 1 0 396.285 2.256 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891463229 654294599 /nfs/dbraw/zinc/29/45/99/654294599.db2.gz CPKBJCVZZWSMJP-DGCLKSJQSA-N 1 0 383.290 2.217 20 0 GEADRO CCN(C(=O)NCCC(=O)Nc1cc(Br)ccc1C)[C@H]1CC[NH2+]C1 ZINC000891464028 654295122 /nfs/dbraw/zinc/29/51/22/654295122.db2.gz ITAIKVXRISTGIE-AWEZNQCLSA-N 1 0 397.317 2.480 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853446774 654295388 /nfs/dbraw/zinc/29/53/88/654295388.db2.gz NQOZKZWLIQYAFQ-JKSUJKDBSA-N 1 0 394.313 2.289 20 0 GEADRO CCO[C@H](CNS(=O)(=O)c1cccc(C)c1Br)C[NH+](C)C ZINC000921640276 654297664 /nfs/dbraw/zinc/29/76/64/654297664.db2.gz DKJKOZJPGXJOKH-GFCCVEGCSA-N 1 0 379.320 2.003 20 0 GEADRO C[C@@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000891528508 654299245 /nfs/dbraw/zinc/29/92/45/654299245.db2.gz MYBSLZJNUHCFDA-CQSZACIVSA-N 1 0 383.334 2.399 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1ncc(Br)cn1)Cc1ccccc1 ZINC000891536137 654299519 /nfs/dbraw/zinc/29/95/19/654299519.db2.gz YYETUXMEIROAHR-OAHLLOKOSA-N 1 0 392.301 2.211 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc4sccc4c3)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904093218 654301189 /nfs/dbraw/zinc/30/11/89/654301189.db2.gz OIYIHOQFKNMTMY-KCQAQPDRSA-N 1 0 375.475 2.126 20 0 GEADRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCc2n[nH]cc2Br)c1 ZINC000891580058 654301502 /nfs/dbraw/zinc/30/15/02/654301502.db2.gz SXZPHJXZYSBIGN-OAHLLOKOSA-N 1 0 394.273 2.037 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@@H]1C(F)(F)F ZINC000891618591 654302868 /nfs/dbraw/zinc/30/28/68/654302868.db2.gz REBUPZDYTUKPKK-SFYZADRCSA-N 1 0 390.353 2.483 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000804221647 654303320 /nfs/dbraw/zinc/30/33/20/654303320.db2.gz QLUUAEKPJQAGMB-NSHDSACASA-N 1 0 388.281 2.051 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)NCC[NH+]3CCC(O)CC3)s2)cs1 ZINC000891638923 654304353 /nfs/dbraw/zinc/30/43/53/654304353.db2.gz OGNKMUCIURXKEV-UHFFFAOYSA-N 1 0 380.539 2.436 20 0 GEADRO CCOC(=O)[C@H](C)C1C[NH+](C[C@H](O)COc2cccc(Br)c2)C1 ZINC000871994731 654305119 /nfs/dbraw/zinc/30/51/19/654305119.db2.gz WSMGFWBRRVOFLL-DOMZBBRYSA-N 1 0 386.286 2.320 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000904278257 654306919 /nfs/dbraw/zinc/30/69/19/654306919.db2.gz SNPJNDQZDMZKGU-ZDUSSCGKSA-N 1 0 379.511 2.283 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)C[C@H]1C(F)(F)F ZINC000891691840 654307303 /nfs/dbraw/zinc/30/73/03/654307303.db2.gz RFBXCHNQYOAIJI-VHSXEESVSA-N 1 0 396.207 2.433 20 0 GEADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891691337 654307358 /nfs/dbraw/zinc/30/73/58/654307358.db2.gz KVLUVLDHJZDTOZ-CYBMUJFWSA-N 1 0 398.301 2.113 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CCOC3(CCSCC3)C1)C2 ZINC000891697308 654307900 /nfs/dbraw/zinc/30/79/00/654307900.db2.gz BXHNXDQPFVLCEX-GFCCVEGCSA-N 1 0 382.555 2.114 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(Br)cc1F ZINC000904349565 654308475 /nfs/dbraw/zinc/30/84/75/654308475.db2.gz ARYFCWJWYRXQMM-BITCUVMXSA-N 1 0 386.221 2.389 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904409675 654309767 /nfs/dbraw/zinc/30/97/67/654309767.db2.gz GCWFAGUGBXEQGS-FRRDWIJNSA-N 1 0 384.274 2.489 20 0 GEADRO C[C@@H]1CCCN(C(=O)Nc2ccncc2I)[C@@H]1CC[NH3+] ZINC000904410263 654309869 /nfs/dbraw/zinc/30/98/69/654309869.db2.gz NKRRLXHJXUWYQN-ZWNOBZJWSA-N 1 0 388.253 2.089 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000904424332 654310118 /nfs/dbraw/zinc/31/01/18/654310118.db2.gz FPPACSFVRPWDAQ-VIFPVBQESA-N 1 0 385.852 2.450 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000904421675 654310167 /nfs/dbraw/zinc/31/01/67/654310167.db2.gz NOICXCVJBQDUTK-NSHDSACASA-N 1 0 383.246 2.351 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)nc12 ZINC000891781685 654311013 /nfs/dbraw/zinc/31/10/13/654311013.db2.gz BFOHCYRUKSHEIH-OKILXGFUSA-N 1 0 392.301 2.094 20 0 GEADRO Cc1cccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1Br ZINC000921721537 654311295 /nfs/dbraw/zinc/31/12/95/654311295.db2.gz JZISSACTCASGEM-UHFFFAOYSA-N 1 0 389.359 2.356 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H]([NH3+])C[C@@H]3C)nc12 ZINC000891784454 654311502 /nfs/dbraw/zinc/31/15/02/654311502.db2.gz SVVCXEVGJAZWJL-WCQYABFASA-N 1 0 380.290 2.079 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904458696 654311536 /nfs/dbraw/zinc/31/15/36/654311536.db2.gz FRUZWGJSPMCYSD-LLVKDONJSA-N 1 0 379.262 2.149 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904459573 654311691 /nfs/dbraw/zinc/31/16/91/654311691.db2.gz VXTWYHXADYCHPN-BZNIZROVSA-N 1 0 391.273 2.375 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)nc12 ZINC000891791154 654311923 /nfs/dbraw/zinc/31/19/23/654311923.db2.gz NFPJSPXSHMLEEL-CABCVRRESA-N 1 0 392.301 2.441 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)nc12 ZINC000891791376 654311936 /nfs/dbraw/zinc/31/19/36/654311936.db2.gz PCKVQMSRYZPYDL-BETUJISGSA-N 1 0 378.274 2.051 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000904483138 654312033 /nfs/dbraw/zinc/31/20/33/654312033.db2.gz GWRBPUYJMKQOBS-SECBINFHSA-N 1 0 397.195 2.315 20 0 GEADRO O=C(NCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)c1ccn[nH]1 ZINC000872061066 654312929 /nfs/dbraw/zinc/31/29/29/654312929.db2.gz VMVAWSRDZVECRV-XJKSGUPXSA-N 1 0 393.285 2.269 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cc(Br)cc3c1NC(=O)CO3)C2 ZINC000904537753 654313001 /nfs/dbraw/zinc/31/30/01/654313001.db2.gz GPBXRHMLJLEMCG-GDPRMGEGSA-N 1 0 395.257 2.124 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1)C(F)(F)F ZINC000921728560 654312990 /nfs/dbraw/zinc/31/29/90/654312990.db2.gz ABLQAMXTGHNJHD-RBSFLKMASA-N 1 0 384.464 2.343 20 0 GEADRO O=C(Nc1ccc(I)cc1F)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904519687 654313053 /nfs/dbraw/zinc/31/30/53/654313053.db2.gz CDLSLZBIIWHHHK-XXILOJSOSA-N 1 0 375.185 2.445 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872045806 654313079 /nfs/dbraw/zinc/31/30/79/654313079.db2.gz ROJSEGMNUGPWHB-ZFWWWQNUSA-N 1 0 391.331 2.056 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]Cc2ccnn2C2CCC2)CC1)C(F)(F)F ZINC000921730247 654313185 /nfs/dbraw/zinc/31/31/85/654313185.db2.gz WZIYGNVQSHSUCR-UHFFFAOYSA-N 1 0 380.436 2.259 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000834295916 654313240 /nfs/dbraw/zinc/31/32/40/654313240.db2.gz JGZCSKGLLGXGQV-ZDUSSCGKSA-N 1 0 380.290 2.475 20 0 GEADRO [NH3+]CCn1cc(Br)cc(-c2nc(CCC(F)(F)F)no2)c1=O ZINC000904544974 654313413 /nfs/dbraw/zinc/31/34/13/654313413.db2.gz AVPWJNOPIJDEHM-UHFFFAOYSA-N 1 0 381.152 2.114 20 0 GEADRO CCO[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000904549562 654313465 /nfs/dbraw/zinc/31/34/65/654313465.db2.gz QLYGXNKBAOLDFE-DGCLKSJQSA-N 1 0 383.905 2.474 20 0 GEADRO Cc1ccc(-c2noc([C@H]3CCCN(CC[NH3+])C3=O)n2)c(Br)c1 ZINC000904601502 654313957 /nfs/dbraw/zinc/31/39/57/654313957.db2.gz DXMSDSVLHNAXSL-GFCCVEGCSA-N 1 0 379.258 2.472 20 0 GEADRO Cn1cncc1Cc1noc(C[C@@H]([NH3+])Cc2ccc(Br)cc2)n1 ZINC000904646760 654314247 /nfs/dbraw/zinc/31/42/47/654314247.db2.gz NYAABXRITLUOSK-ZDUSSCGKSA-N 1 0 376.258 2.269 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)Nc2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000853675756 654314718 /nfs/dbraw/zinc/31/47/18/654314718.db2.gz ZACFPSSHIKFADT-UHFFFAOYSA-N 1 0 384.933 2.202 20 0 GEADRO CCn1c(CNC(=O)N2C[C@H]([NH3+])C[C@@H]2C)nc2cc(Br)ccc21 ZINC000891852425 654315309 /nfs/dbraw/zinc/31/53/09/654315309.db2.gz YRTOVBQGUUIDOD-CMPLNLGQSA-N 1 0 380.290 2.450 20 0 GEADRO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(Cn2cc(Br)cn2)no1 ZINC000872176303 654315458 /nfs/dbraw/zinc/31/54/58/654315458.db2.gz SCKKQMBZIKVLHN-AWEZNQCLSA-N 1 0 391.273 2.209 20 0 GEADRO CC(C)NC(=O)Cc1noc(C[C@@H]([NH3+])Cc2ccc(Br)cc2)n1 ZINC000904682087 654316103 /nfs/dbraw/zinc/31/61/03/654316103.db2.gz JNYWVMGRQFZXFM-ZDUSSCGKSA-N 1 0 381.274 2.012 20 0 GEADRO C[C@@H](NC(=O)Cc1noc([C@@H](N)C[NH+](C)C)n1)c1ccc(Cl)cc1Cl ZINC000872180558 654316231 /nfs/dbraw/zinc/31/62/31/654316231.db2.gz QQPWIHWBHBCTLT-RNCFNFMXSA-N 1 0 386.283 2.358 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ncc(Br)cn2)C1 ZINC000891893536 654317158 /nfs/dbraw/zinc/31/71/58/654317158.db2.gz WTNWUVLYTOMODJ-CHWSQXEVSA-N 1 0 384.322 2.406 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000872217891 654317632 /nfs/dbraw/zinc/31/76/32/654317632.db2.gz GSGSKTMJRVEZCQ-KBPBESRZSA-N 1 0 377.312 2.168 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cccc(Br)c1 ZINC000872222549 654318075 /nfs/dbraw/zinc/31/80/75/654318075.db2.gz WLNVMDXBQCEBMZ-GRIRQICOSA-N 1 0 386.311 2.236 20 0 GEADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891922115 654318761 /nfs/dbraw/zinc/31/87/61/654318761.db2.gz FRTZZXVKDIXOJR-RDJZCZTQSA-N 1 0 385.917 2.088 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(Br)n[nH]2)c1 ZINC000834355089 654318974 /nfs/dbraw/zinc/31/89/74/654318974.db2.gz AZZLISQGAFYJPO-UHFFFAOYSA-N 1 0 381.274 2.385 20 0 GEADRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c(I)cnn1C ZINC000872242794 654319372 /nfs/dbraw/zinc/31/93/72/654319372.db2.gz OAZJFJIKIWEVQX-XHDPSFHLSA-N 1 0 385.249 2.279 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CC1)CC1(O)CCOCC1 ZINC000872248378 654320000 /nfs/dbraw/zinc/32/00/00/654320000.db2.gz RPQFPAQRQVFPMK-INIZCTEOSA-N 1 0 384.314 2.363 20 0 GEADRO Cc1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872255056 654320039 /nfs/dbraw/zinc/32/00/39/654320039.db2.gz IYAZPYUWDDWQIH-IMJJTQAJSA-N 1 0 380.286 2.124 20 0 GEADRO CCN1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000891949659 654320117 /nfs/dbraw/zinc/32/01/17/654320117.db2.gz VSXYQFBLPBLUQS-FUHWJXTLSA-N 1 0 386.378 2.426 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)ccc1Cl ZINC000872260058 654320517 /nfs/dbraw/zinc/32/05/17/654320517.db2.gz OAXFXQHCUPENQI-PEBVRCNWSA-N 1 0 385.917 2.436 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264062 654320782 /nfs/dbraw/zinc/32/07/82/654320782.db2.gz JKAAMBSUXWVIAO-CABCVRRESA-N 1 0 384.263 2.391 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000853787529 654321333 /nfs/dbraw/zinc/32/13/33/654321333.db2.gz YHMOABOGHAWZDG-WFASDCNBSA-N 1 0 382.302 2.145 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N(C2CC2)C2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000904925905 654324528 /nfs/dbraw/zinc/32/45/28/654324528.db2.gz OBRYXOZNKDWDIB-OAHLLOKOSA-N 1 0 377.432 2.335 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@@H]2CC[NH2+]C23CCCC3)C(F)(F)F)n1 ZINC000904928376 654324574 /nfs/dbraw/zinc/32/45/74/654324574.db2.gz MQFHVTXBCGPJPG-IAQYHMDHSA-N 1 0 377.432 2.382 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C(F)(F)F)n1 ZINC000904930878 654325216 /nfs/dbraw/zinc/32/52/16/654325216.db2.gz XPIQYNQWQCNTFP-JUFZMCDQSA-N 1 0 377.432 2.177 20 0 GEADRO Cc1nc(Br)sc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000834449360 654326253 /nfs/dbraw/zinc/32/62/53/654326253.db2.gz ZSUOEQRXIFPMIG-SNVBAGLBSA-N 1 0 376.320 2.445 20 0 GEADRO COC1CCC(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CC1 ZINC000892045156 654326402 /nfs/dbraw/zinc/32/64/02/654326402.db2.gz CDXJJJWBMQPGME-UHFFFAOYSA-N 1 0 386.480 2.480 20 0 GEADRO CCn1c(C[NH2+]C[C@@]2(O)CCSC2)nc(Br)c1Br ZINC000921811023 654326529 /nfs/dbraw/zinc/32/65/29/654326529.db2.gz WVPLTPWEJHSAEE-NSHDSACASA-N 1 0 399.152 2.386 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000834453601 654326727 /nfs/dbraw/zinc/32/67/27/654326727.db2.gz SVPOKGNUIBNXEF-OLZOCXBDSA-N 1 0 387.933 2.228 20 0 GEADRO [NH3+][C@H](CNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000892052025 654327069 /nfs/dbraw/zinc/32/70/69/654327069.db2.gz ZZRKDBQFGJTOAC-OAHLLOKOSA-N 1 0 378.274 2.171 20 0 GEADRO CC[C@@](O)(C[NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)C(F)(F)F ZINC000905061549 654328546 /nfs/dbraw/zinc/32/85/46/654328546.db2.gz SKNHPZFXZIWLCJ-OAHLLOKOSA-N 1 0 382.448 2.307 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccc(Cl)cc1 ZINC000905063206 654329039 /nfs/dbraw/zinc/32/90/39/654329039.db2.gz VVQZDCMHLFRQAC-HNNXBMFYSA-N 1 0 375.918 2.150 20 0 GEADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1nc(Br)cs1 ZINC000834501424 654330336 /nfs/dbraw/zinc/33/03/36/654330336.db2.gz AYXXNYFWMKGWBL-SECBINFHSA-N 1 0 390.328 2.446 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)nc2C)CC1 ZINC000804989336 654331432 /nfs/dbraw/zinc/33/14/32/654331432.db2.gz MTAIRQLCHBOORE-UHFFFAOYSA-N 1 0 375.922 2.211 20 0 GEADRO O[C@H](C[NH2+]CCCc1ccc(Br)cc1F)C[C@@]1(O)CCOC1 ZINC000905119777 654333046 /nfs/dbraw/zinc/33/30/46/654333046.db2.gz NIUNDXAMJYHYDL-HOCLYGCPSA-N 1 0 376.266 2.013 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1nc(C)n(C)c1Br ZINC000805002296 654333176 /nfs/dbraw/zinc/33/31/76/654333176.db2.gz SYAXOYBJZFVCHR-LBPRGKRZSA-N 1 0 393.351 2.034 20 0 GEADRO C[C@@H](NC(=O)N1CC(O)(c2ccc(Br)cc2)C1)C1=CC[N@H+](C)CC1 ZINC000853973362 654333785 /nfs/dbraw/zinc/33/37/85/654333785.db2.gz CVFOFCPYCWQICN-CYBMUJFWSA-N 1 0 394.313 2.312 20 0 GEADRO Cc1nc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(Br)n1C ZINC000805006308 654334175 /nfs/dbraw/zinc/33/41/75/654334175.db2.gz ZNUQPHJHAKFRQB-NSHDSACASA-N 1 0 395.367 2.136 20 0 GEADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC000872435788 654334486 /nfs/dbraw/zinc/33/44/86/654334486.db2.gz GXMGXVDSPLYLRM-UHFFFAOYSA-N 1 0 379.448 2.069 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905164808 654335558 /nfs/dbraw/zinc/33/55/58/654335558.db2.gz IUTWWDCKZVWYDE-PVXIVEMSSA-N 1 0 376.266 2.011 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1(O)CCCC1 ZINC000905176039 654336300 /nfs/dbraw/zinc/33/63/00/654336300.db2.gz JTCBUOHNZOXGJJ-QGZVFWFLSA-N 1 0 399.329 2.041 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1CCc2cc(Br)ccc21 ZINC000892270713 654337956 /nfs/dbraw/zinc/33/79/56/654337956.db2.gz HMMOYFFOTZMMHX-MRXNPFEDSA-N 1 0 382.302 2.192 20 0 GEADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872446329 654338087 /nfs/dbraw/zinc/33/80/87/654338087.db2.gz DQSQQRCEYODMHU-UHFFFAOYSA-N 1 0 385.917 2.331 20 0 GEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872448059 654338654 /nfs/dbraw/zinc/33/86/54/654338654.db2.gz IQPIBGFSMLHOKU-GFCCVEGCSA-N 1 0 385.917 2.235 20 0 GEADRO CC[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC[C@H]1[NH3+] ZINC000834646984 654340666 /nfs/dbraw/zinc/34/06/66/654340666.db2.gz LBMXWXIZXMGCGC-IINYFYTJSA-N 1 0 389.315 2.052 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000834668235 654341455 /nfs/dbraw/zinc/34/14/55/654341455.db2.gz IVMLHNCLXHAWDZ-IRXDYDNUSA-N 1 0 375.918 2.081 20 0 GEADRO O=S1(=O)CC[C@H](c2noc(-c3sc4c(c3Br)C[NH2+]C4)n2)C1 ZINC000854136672 654341612 /nfs/dbraw/zinc/34/16/12/654341612.db2.gz JFEYSBNNATVYOT-LURJTMIESA-N 1 0 390.284 2.066 20 0 GEADRO [NH3+]CCn1cc(-c2nc(CCCc3ccccc3Br)no2)nn1 ZINC000854148167 654342319 /nfs/dbraw/zinc/34/23/19/654342319.db2.gz IMKOFQOGTHQKLS-UHFFFAOYSA-N 1 0 377.246 2.225 20 0 GEADRO CC(C)[NH2+]Cc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000854153072 654342713 /nfs/dbraw/zinc/34/27/13/654342713.db2.gz ITPKYACEKFUTOW-UHFFFAOYSA-N 1 0 383.193 2.487 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)nc12 ZINC000921938802 654345285 /nfs/dbraw/zinc/34/52/85/654345285.db2.gz JTIKKXXUWQTXHP-IUODEOHRSA-N 1 0 394.317 2.340 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cccc(Br)n3)C2)CC1 ZINC000872465070 654345723 /nfs/dbraw/zinc/34/57/23/654345723.db2.gz BGLMDBWLLDRSDT-ZDUSSCGKSA-N 1 0 388.331 2.197 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000834778451 654347829 /nfs/dbraw/zinc/34/78/29/654347829.db2.gz RDGLYTCCEDRCNA-HAQNSBGRSA-N 1 0 378.416 2.475 20 0 GEADRO CCNS(=O)(=O)c1cccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000905284181 654347960 /nfs/dbraw/zinc/34/79/60/654347960.db2.gz JRCGKEOHOJIKBM-GFCCVEGCSA-N 1 0 390.374 2.023 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NCC3([NH+](C)C)CC3)nc12 ZINC000921962150 654348117 /nfs/dbraw/zinc/34/81/17/654348117.db2.gz YXMVOTHZDVSGAJ-UHFFFAOYSA-N 1 0 380.290 2.299 20 0 GEADRO C[C@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872471854 654348161 /nfs/dbraw/zinc/34/81/61/654348161.db2.gz PGJUDGFONSEDPT-QIPPXTIRSA-N 1 0 379.592 2.370 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)c1ccc2ncc(I)n2c1 ZINC000834785537 654348198 /nfs/dbraw/zinc/34/81/98/654348198.db2.gz DPUGJDYVUNTVDI-SNVBAGLBSA-N 1 0 386.237 2.186 20 0 GEADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)c1nc3cc(Cl)ccc3s1)C2 ZINC000905292693 654348635 /nfs/dbraw/zinc/34/86/35/654348635.db2.gz PQMVRKAMIKFEQB-JHXNIKBNSA-N 1 0 379.869 2.302 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)C[C@H]1C(F)(F)F ZINC000905294488 654348691 /nfs/dbraw/zinc/34/86/91/654348691.db2.gz VAVSMAYMHIENMY-VXNVDRBHSA-N 1 0 379.180 2.078 20 0 GEADRO Cc1[nH+]ccc(NCC2CCN(S(=O)(=O)C(F)F)CC2)c1Br ZINC000892506338 654348865 /nfs/dbraw/zinc/34/88/65/654348865.db2.gz COTOIGLLCMJTLA-UHFFFAOYSA-N 1 0 398.273 2.251 20 0 GEADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC[S@](=O)CC(F)(F)F ZINC000854305802 654349470 /nfs/dbraw/zinc/34/94/70/654349470.db2.gz BVFICYWFUXJGRC-VWLOTQADSA-N 1 0 385.496 2.451 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000834813330 654350002 /nfs/dbraw/zinc/35/00/02/654350002.db2.gz LFBYWMVEDGEMKO-NSHDSACASA-N 1 0 375.922 2.274 20 0 GEADRO COc1cccc(-c2csc(C[NH2+]C3CCN(S(C)(=O)=O)CC3)n2)c1 ZINC000892531511 654350126 /nfs/dbraw/zinc/35/01/26/654350126.db2.gz WWFBMFHBPLVHRX-UHFFFAOYSA-N 1 0 381.523 2.332 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892547133 654350859 /nfs/dbraw/zinc/35/08/59/654350859.db2.gz RSRRPOPVCQAONR-GDLCADMTSA-N 1 0 376.284 2.112 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000905334707 654351525 /nfs/dbraw/zinc/35/15/25/654351525.db2.gz UXOOPRKWTNBAPQ-CQSZACIVSA-N 1 0 389.315 2.192 20 0 GEADRO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000905341783 654351713 /nfs/dbraw/zinc/35/17/13/654351713.db2.gz BEDOCCOYIXZGJW-NSHDSACASA-N 1 0 384.889 2.370 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000892574949 654352210 /nfs/dbraw/zinc/35/22/10/654352210.db2.gz LLOLHWQQRLBYKH-HDJSIYSDSA-N 1 0 399.308 2.153 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000834841894 654352456 /nfs/dbraw/zinc/35/24/56/654352456.db2.gz VYNSELYFIWHLDO-NSHDSACASA-N 1 0 387.843 2.001 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000905357995 654353027 /nfs/dbraw/zinc/35/30/27/654353027.db2.gz CJYSNVAFFFNOFM-PMPSAXMXSA-N 1 0 385.327 2.006 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000905359167 654353052 /nfs/dbraw/zinc/35/30/52/654353052.db2.gz LSZGOSAYJSARPR-NSHDSACASA-N 1 0 388.946 2.448 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@](C)(O)C(F)F)cc1Br ZINC000905369928 654353783 /nfs/dbraw/zinc/35/37/83/654353783.db2.gz BMHXJIQRJKWTSP-ABAIWWIYSA-N 1 0 382.245 2.214 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C3CCS(=O)CC3)cc2)C1 ZINC000892615306 654353945 /nfs/dbraw/zinc/35/39/45/654353945.db2.gz AJQHIRXRLOJQJJ-HAQQTFLXSA-N 1 0 384.567 2.108 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1 ZINC000834913929 654355499 /nfs/dbraw/zinc/35/54/99/654355499.db2.gz RHZHUBHGGPSFHH-HRCADAONSA-N 1 0 376.444 2.184 20 0 GEADRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000834905526 654355515 /nfs/dbraw/zinc/35/55/15/654355515.db2.gz YKYDGKIZNNIZRU-MPKXVKKWSA-N 1 0 379.425 2.146 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000905433470 654357148 /nfs/dbraw/zinc/35/71/48/654357148.db2.gz XEFFSZGVHZUEDT-DZGCQCFKSA-N 1 0 382.309 2.290 20 0 GEADRO O[C@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000905449319 654358241 /nfs/dbraw/zinc/35/82/41/654358241.db2.gz ZYBJPLOHNCVWRJ-NEPJUHHUSA-N 1 0 377.737 2.366 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CC2)CCO1 ZINC000892698411 654360152 /nfs/dbraw/zinc/36/01/52/654360152.db2.gz GOJJMXLHQXPUOU-DOMZBBRYSA-N 1 0 382.302 2.238 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CCC1 ZINC000905510358 654361905 /nfs/dbraw/zinc/36/19/05/654361905.db2.gz VLPRHZGFDOPUPJ-UYTSQGDYSA-N 1 0 390.615 2.252 20 0 GEADRO OC[C@H](C[NH2+]Cc1cnc2n1CCOC2)Cc1ccccc1Br ZINC000922059092 654362012 /nfs/dbraw/zinc/36/20/12/654362012.db2.gz MZIGYWKYHKEOQI-ZDUSSCGKSA-N 1 0 380.286 2.117 20 0 GEADRO CN(C)c1ccnc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000905524036 654363628 /nfs/dbraw/zinc/36/36/28/654363628.db2.gz DOFMNIKCLFXMFA-MRXNPFEDSA-N 1 0 380.286 2.440 20 0 GEADRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 ZINC000872529055 654364965 /nfs/dbraw/zinc/36/49/65/654364965.db2.gz DEAVKTWIEPCYKE-UHFFFAOYSA-N 1 0 380.436 2.458 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCc2cc(Cl)cc(Br)c2)CCO1 ZINC000892840396 654365670 /nfs/dbraw/zinc/36/56/70/654365670.db2.gz MGZYZAJDILOISS-IINYFYTJSA-N 1 0 390.709 2.403 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCc2cc(Cl)cc(Br)c2)CCO1 ZINC000892840395 654365701 /nfs/dbraw/zinc/36/57/01/654365701.db2.gz MGZYZAJDILOISS-HZMBPMFUSA-N 1 0 390.709 2.403 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000835151953 654366134 /nfs/dbraw/zinc/36/61/34/654366134.db2.gz VMMLBIQNSIWMJH-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872533764 654366268 /nfs/dbraw/zinc/36/62/68/654366268.db2.gz FUGKGCYNGYLKBM-QHCPKHFHSA-N 1 0 379.592 2.468 20 0 GEADRO C[NH+]1CCC(NC(=S)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000905562834 654366357 /nfs/dbraw/zinc/36/63/57/654366357.db2.gz RRJDGWIFDVBTHB-UHFFFAOYSA-N 1 0 399.314 2.161 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000905567482 654366678 /nfs/dbraw/zinc/36/66/78/654366678.db2.gz PCYIYEUBFRMBFJ-BPLDGKMQSA-N 1 0 381.416 2.213 20 0 GEADRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1)C(=O)N1CCc2sccc2C1 ZINC000892853792 654366946 /nfs/dbraw/zinc/36/69/46/654366946.db2.gz PAVGBOHXPXKUCG-BPUTZDHNSA-N 1 0 384.567 2.214 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)CS(C)(=O)=O ZINC000905575835 654366942 /nfs/dbraw/zinc/36/69/42/654366942.db2.gz CZYTVRZJCDUSCP-LBPRGKRZSA-N 1 0 384.325 2.394 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)CS(C)(=O)=O ZINC000905580820 654367371 /nfs/dbraw/zinc/36/73/71/654367371.db2.gz SWVXGKJBVVMKAQ-LBPRGKRZSA-N 1 0 384.325 2.394 20 0 GEADRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905587641 654368317 /nfs/dbraw/zinc/36/83/17/654368317.db2.gz QKWQQGPJDIUJJK-KRWDZBQOSA-N 1 0 393.329 2.217 20 0 GEADRO Cc1cc2cc(C(=O)NCC[N@@H+](C)CCOCCO)oc2c(Br)c1 ZINC000922118408 654369166 /nfs/dbraw/zinc/36/91/66/654369166.db2.gz YGBNYNXGTMMXOM-UHFFFAOYSA-N 1 0 399.285 2.174 20 0 GEADRO CCc1[nH]nc(Cl)c1CNc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000922121959 654370179 /nfs/dbraw/zinc/37/01/79/654370179.db2.gz WNWNUPCCGYPCLP-UHFFFAOYSA-N 1 0 385.921 2.078 20 0 GEADRO CSCCCNC(=S)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000905618752 654370417 /nfs/dbraw/zinc/37/04/17/654370417.db2.gz DEFNVXCLPJAQSB-UHFFFAOYSA-N 1 0 390.619 2.193 20 0 GEADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=S)NCC(F)(F)F)CC1 ZINC000905619640 654370541 /nfs/dbraw/zinc/37/05/41/654370541.db2.gz PTMACWRRICNSGV-UHFFFAOYSA-N 1 0 384.468 2.002 20 0 GEADRO Oc1cc(Br)cnc1C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000892928813 654370691 /nfs/dbraw/zinc/37/06/91/654370691.db2.gz KMGQBNIYOQDLIN-JTQLQIEISA-N 1 0 389.196 2.357 20 0 GEADRO Cn1cc(I)c(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)n1 ZINC000922163001 654373219 /nfs/dbraw/zinc/37/32/19/654373219.db2.gz XUWXGQBJKLOJJS-QJPTWQEYSA-N 1 0 375.254 2.320 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCOC(F)(F)C(F)(F)F)cc1 ZINC000872560004 654370912 /nfs/dbraw/zinc/37/09/12/654370912.db2.gz GANZDZODJNLNCX-UHFFFAOYSA-N 1 0 376.347 2.198 20 0 GEADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3cccc(Br)c3)[C@@H]2C1 ZINC000905654519 654372376 /nfs/dbraw/zinc/37/23/76/654372376.db2.gz POWRMJDPZYUZPH-YBSJNODJSA-N 1 0 398.297 2.366 20 0 GEADRO CCc1sc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1Br ZINC000854644131 654372739 /nfs/dbraw/zinc/37/27/39/654372739.db2.gz FZRDPFPPBWJBEK-UHFFFAOYSA-N 1 0 386.359 2.392 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@H]2CCSC(C)(C)C2)CCC1 ZINC000905664185 654372805 /nfs/dbraw/zinc/37/28/05/654372805.db2.gz RELXVUCAOJWIIJ-UONOGXRCSA-N 1 0 378.604 2.252 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC[C@@H]2CCC(F)(F)C2)CCC1 ZINC000905675361 654373624 /nfs/dbraw/zinc/37/36/24/654373624.db2.gz OJLRXGUGLCBAPQ-KBPBESRZSA-N 1 0 382.517 2.403 20 0 GEADRO CN(c1cccc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1)S(C)(=O)=O ZINC000905699210 654375323 /nfs/dbraw/zinc/37/53/23/654375323.db2.gz YKLIGWMUNYXDMF-LBPRGKRZSA-N 1 0 390.374 2.121 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000922205458 654375873 /nfs/dbraw/zinc/37/58/73/654375873.db2.gz LAWKOZFKNHHLBV-AWEZNQCLSA-N 1 0 382.306 2.397 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000922219795 654376255 /nfs/dbraw/zinc/37/62/55/654376255.db2.gz MAHWWVTWPJTAKG-OAHLLOKOSA-N 1 0 378.274 2.138 20 0 GEADRO CON1CC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000905754436 654379223 /nfs/dbraw/zinc/37/92/23/654379223.db2.gz GZACBBOIBRDLJO-HNNXBMFYSA-N 1 0 383.286 2.249 20 0 GEADRO C[NH+]1CCN(c2ccccc2NC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000905750944 654379229 /nfs/dbraw/zinc/37/92/29/654379229.db2.gz PAKKOWCDBHFVTJ-ZDUSSCGKSA-N 1 0 380.703 2.498 20 0 GEADRO [NH3+]C1CCN(Cc2cn(CC(=O)Nc3c(Cl)cccc3Cl)nn2)CC1 ZINC000905782843 654379571 /nfs/dbraw/zinc/37/95/71/654379571.db2.gz BALSLGUEUWQKNY-UHFFFAOYSA-N 1 0 383.283 2.147 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893079391 654380936 /nfs/dbraw/zinc/38/09/36/654380936.db2.gz XARDIEJCJSBREU-SJORKVTESA-N 1 0 396.329 2.232 20 0 GEADRO Clc1cccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)c1Br ZINC000905832507 654383018 /nfs/dbraw/zinc/38/30/18/654383018.db2.gz GQTXLENURXRWJB-UHFFFAOYSA-N 1 0 384.709 2.190 20 0 GEADRO C[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)c1ccncc1Br ZINC000872632873 654383547 /nfs/dbraw/zinc/38/35/47/654383547.db2.gz ASLWBTZHOIYSJE-LBPRGKRZSA-N 1 0 376.320 2.310 20 0 GEADRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+][C@H](C(N)=O)c3ccc(Br)cc3)O2)CO1 ZINC000905841181 654384146 /nfs/dbraw/zinc/38/41/46/654384146.db2.gz AAPBDGIEGDYURI-DUUDNCRHSA-N 1 0 383.286 2.292 20 0 GEADRO Cc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)c(C)cc1I ZINC000922342214 654384836 /nfs/dbraw/zinc/38/48/36/654384836.db2.gz YAVXKAPDSZXQAV-RISCZKNCSA-N 1 0 393.290 2.431 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000893174535 654387121 /nfs/dbraw/zinc/38/71/21/654387121.db2.gz BPYKNXHFMWDTLQ-ZDUSSCGKSA-N 1 0 375.288 2.074 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2csc(I)n2)C1 ZINC000854893311 654387802 /nfs/dbraw/zinc/38/78/02/654387802.db2.gz IMEZSELSTJAMJU-VIFPVBQESA-N 1 0 379.267 2.302 20 0 GEADRO O[C@@H](CCC1(O)CCC1)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000905906408 654389951 /nfs/dbraw/zinc/38/99/51/654389951.db2.gz KBJYZHKSTBRBEH-HNNXBMFYSA-N 1 0 384.318 2.022 20 0 GEADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc2c(cncc2Cl)s1 ZINC000893226066 654390736 /nfs/dbraw/zinc/39/07/36/654390736.db2.gz MDKJNGJQDKMBQF-QGZVFWFLSA-N 1 0 383.901 2.369 20 0 GEADRO C[N@@H+]1CCN(CN2c3cccc(Br)c3C(=O)C2=O)CCC1(C)C ZINC000872695194 654392004 /nfs/dbraw/zinc/39/20/04/654392004.db2.gz UQCOTLWYVWQWCE-UHFFFAOYSA-N 1 0 380.286 2.352 20 0 GEADRO O[C@H](C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C[C@@]1(O)CCOC1 ZINC000905942225 654392527 /nfs/dbraw/zinc/39/25/27/654392527.db2.gz BBMSUGYVUSLRPE-HUBLWGQQSA-N 1 0 380.432 2.244 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cc1ncc[nH]1 ZINC000854989053 654392681 /nfs/dbraw/zinc/39/26/81/654392681.db2.gz USKBGJLBWVGVOS-UHFFFAOYSA-N 1 0 380.290 2.351 20 0 GEADRO CC(C)[C@H]1CN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)CC[N@@H+]1C ZINC000872736372 654393725 /nfs/dbraw/zinc/39/37/25/654393725.db2.gz QBTPNEDJCLAOFU-PXAZEXFGSA-N 1 0 384.933 2.398 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)c1csc(I)n1 ZINC000855011138 654393743 /nfs/dbraw/zinc/39/37/43/654393743.db2.gz WMFKISXUVJVJPQ-UHFFFAOYSA-N 1 0 381.283 2.455 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922454927 654394565 /nfs/dbraw/zinc/39/45/65/654394565.db2.gz KWHSIOGZDKEXQF-XCBNKYQSSA-N 1 0 389.159 2.224 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1csc(I)n1 ZINC000855056507 654395204 /nfs/dbraw/zinc/39/52/04/654395204.db2.gz OJBMYHYQGNBAQK-GXSJLCMTSA-N 1 0 391.278 2.494 20 0 GEADRO O[C@@H](C[NH+]1CC(Cc2cccc(Br)c2)C1)CC1(O)CCOCC1 ZINC000905977093 654396087 /nfs/dbraw/zinc/39/60/87/654396087.db2.gz FGOKUNJVTBRMEZ-QGZVFWFLSA-N 1 0 384.314 2.216 20 0 GEADRO CC[C@H](NC(=O)NCC[NH+]1CCC(O)CC1)c1nc(C(F)(F)F)cs1 ZINC000893362144 654398407 /nfs/dbraw/zinc/39/84/07/654398407.db2.gz XESCJMBBCDIIFK-NSHDSACASA-N 1 0 380.436 2.369 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)N1CCN([S@@](C)(=N)=O)CC1)c1ccsc1 ZINC000872826548 654399087 /nfs/dbraw/zinc/39/90/87/654399087.db2.gz XHPQHQWJYBFJSG-SGANQWHYSA-N 1 0 387.575 2.050 20 0 GEADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccnc(Br)c1 ZINC000855201750 654399763 /nfs/dbraw/zinc/39/97/63/654399763.db2.gz XRMARCOUXRCJIE-UHFFFAOYSA-N 1 0 382.302 2.465 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1ncc(Cl)s1 ZINC000872850167 654400490 /nfs/dbraw/zinc/40/04/90/654400490.db2.gz IVDIUZBRFKJPLM-UHFFFAOYSA-N 1 0 380.901 2.133 20 0 GEADRO Cn1nc(Br)nc1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCOCC2 ZINC000922538442 654400562 /nfs/dbraw/zinc/40/05/62/654400562.db2.gz GHBPQDBXCMFGCD-VXGBXAGGSA-N 1 0 387.322 2.420 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000893429954 654400820 /nfs/dbraw/zinc/40/08/20/654400820.db2.gz WJTXZLJGPRATSB-UHFFFAOYSA-N 1 0 385.295 2.334 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2C)cc(I)c1OC ZINC000922557896 654401382 /nfs/dbraw/zinc/40/13/82/654401382.db2.gz VFWQLCRMZJUVJN-MFKMUULPSA-N 1 0 390.265 2.491 20 0 GEADRO CO[C@@]1(C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)CCS(=O)(=O)C1 ZINC000922617257 654403726 /nfs/dbraw/zinc/40/37/26/654403726.db2.gz HXINROXNCYZEIW-HOFZKYPUSA-N 1 0 375.437 2.485 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000855266914 654403889 /nfs/dbraw/zinc/40/38/89/654403889.db2.gz LEOSYPXJGDRGCL-ODCWNRFASA-N 1 0 376.444 2.293 20 0 GEADRO C[NH+](C)CC[C@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccnc1 ZINC000922631453 654404418 /nfs/dbraw/zinc/40/44/18/654404418.db2.gz CXTRAGPJYFAMMC-INIZCTEOSA-N 1 0 382.917 2.165 20 0 GEADRO CCOC(=O)c1ncc(Br)c(NCC2CC[NH+](C3CC3)CC2)n1 ZINC000893531714 654405329 /nfs/dbraw/zinc/40/53/29/654405329.db2.gz LHTILZXLFQAVJM-UHFFFAOYSA-N 1 0 383.290 2.124 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000855273808 654407142 /nfs/dbraw/zinc/40/71/42/654407142.db2.gz FOKHQBOVSZKEIO-RUZDIDTESA-N 1 0 376.444 2.326 20 0 GEADRO Cc1cc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc1Br ZINC000893551361 654408025 /nfs/dbraw/zinc/40/80/25/654408025.db2.gz UTXNTXMYVYNVLK-UHFFFAOYSA-N 1 0 394.317 2.244 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2cc(Br)ccc2F)cn1 ZINC000893552938 654408107 /nfs/dbraw/zinc/40/81/07/654408107.db2.gz HCMJPFHXRDRTKD-UHFFFAOYSA-N 1 0 398.280 2.075 20 0 GEADRO Cc1cc(NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000906056836 654410589 /nfs/dbraw/zinc/41/05/89/654410589.db2.gz DASGLZQEETWTNW-DEOSSOPVSA-N 1 0 391.563 2.011 20 0 GEADRO C[C@]1(Br)C[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000893621272 654411527 /nfs/dbraw/zinc/41/15/27/654411527.db2.gz RDUGPXRVMAUAHB-BQFCYCMXSA-N 1 0 381.314 2.220 20 0 GEADRO CCOC(=O)c1ncc(Br)c(NC2CC([NH+]3CCCCC3)C2)n1 ZINC000893627514 654411985 /nfs/dbraw/zinc/41/19/85/654411985.db2.gz YRCFAKPFFZEEAC-UHFFFAOYSA-N 1 0 383.290 2.267 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000922824619 654415418 /nfs/dbraw/zinc/41/54/18/654415418.db2.gz UETRBDLRCJUZEN-CYBMUJFWSA-N 1 0 377.384 2.461 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C2 ZINC000873107188 654415633 /nfs/dbraw/zinc/41/56/33/654415633.db2.gz LXZQKBRWKZEUJV-ZUZCIYMTSA-N 1 0 375.778 2.365 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1nscc1I ZINC000906103061 654416580 /nfs/dbraw/zinc/41/65/80/654416580.db2.gz GONPIZTUOJIRES-VIFPVBQESA-N 1 0 379.267 2.352 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccnc1Br ZINC000855403026 654416681 /nfs/dbraw/zinc/41/66/81/654416681.db2.gz IJUAUSKWDWGXOK-OAHLLOKOSA-N 1 0 390.281 2.341 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cccc(F)c1I)[C@@H]1CCOC1 ZINC000873118991 654416802 /nfs/dbraw/zinc/41/68/02/654416802.db2.gz AITKQYKKYPXOOJ-VXGBXAGGSA-N 1 0 379.213 2.165 20 0 GEADRO Cc1sc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1Br ZINC000873127515 654417166 /nfs/dbraw/zinc/41/71/66/654417166.db2.gz SNTOBUYQRJTFDO-LLVKDONJSA-N 1 0 396.376 2.179 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000906124609 654417977 /nfs/dbraw/zinc/41/79/77/654417977.db2.gz ZDKIIQWBDUGSEP-CYBMUJFWSA-N 1 0 379.320 2.283 20 0 GEADRO Cn1c2ccccc2c(Br)c1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000873135602 654417933 /nfs/dbraw/zinc/41/79/33/654417933.db2.gz KQVQUBNKDTZLJC-KRWDZBQOSA-N 1 0 383.286 2.198 20 0 GEADRO C[NH+]1CCN(Cc2ccccc2-c2nc3c(s2)CS(=O)(=O)CC3)CC1 ZINC000906176949 654419861 /nfs/dbraw/zinc/41/98/61/654419861.db2.gz KDPOLYOJTQAAAK-UHFFFAOYSA-N 1 0 377.535 2.028 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873171153 654420476 /nfs/dbraw/zinc/42/04/76/654420476.db2.gz TVYQKQODORGBKH-YHWZYXNKSA-N 1 0 391.942 2.189 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)cn(C2CC2)c1=O ZINC000906199631 654420736 /nfs/dbraw/zinc/42/07/36/654420736.db2.gz QHDZOPKCJNLRPP-HUUCEWRRSA-N 1 0 380.286 2.302 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)ccc1Cl ZINC000873177752 654421226 /nfs/dbraw/zinc/42/12/26/654421226.db2.gz DOACIQIRKQXPTG-AWEZNQCLSA-N 1 0 389.304 2.334 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](O)c1ccnn1C ZINC000922970999 654422445 /nfs/dbraw/zinc/42/24/45/654422445.db2.gz UFHAUBSKWIYJFM-KRWDZBQOSA-N 1 0 390.285 2.500 20 0 GEADRO Cn1nccc1[C@H](O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000922974373 654422781 /nfs/dbraw/zinc/42/27/81/654422781.db2.gz NVBNGKLIRBFIEC-GOSISDBHSA-N 1 0 393.329 2.470 20 0 GEADRO C[NH+](C)C1(CNC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000922982846 654423013 /nfs/dbraw/zinc/42/30/13/654423013.db2.gz FHLSFPKDTVSYKX-HUUCEWRRSA-N 1 0 382.302 2.361 20 0 GEADRO C[NH+](C)C1(CNC(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000922981755 654423310 /nfs/dbraw/zinc/42/33/10/654423310.db2.gz JIOYVGZFUKLXPY-INIZCTEOSA-N 1 0 384.318 2.136 20 0 GEADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cn(-c3ccc(Cl)cc3Cl)nn1)CC2 ZINC000922994039 654423529 /nfs/dbraw/zinc/42/35/29/654423529.db2.gz ORKDCXGHUNBPQA-NSHDSACASA-N 1 0 378.267 2.350 20 0 GEADRO COc1cc(Br)c(C[NH2+][C@H]2CCc3nnn(C)c3C2)cc1OC ZINC000922999012 654423985 /nfs/dbraw/zinc/42/39/85/654423985.db2.gz NRGPBRKRKVNFBA-NSHDSACASA-N 1 0 381.274 2.242 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(C3CCOCC3)s2)C[C@@H]1C(F)(F)F ZINC000873328427 654424777 /nfs/dbraw/zinc/42/47/77/654424777.db2.gz OBJIVIUBPRIBDZ-UWVGGRQHSA-N 1 0 379.408 2.033 20 0 GEADRO CC[N@H+](CCCNC(=O)NCC(C)(C)CS(C)(=O)=O)C1CCCCC1 ZINC000923056721 654426247 /nfs/dbraw/zinc/42/62/47/654426247.db2.gz LVHLPLJWFBPHPJ-UHFFFAOYSA-N 1 0 375.579 2.401 20 0 GEADRO OC[C@]1([NH2+]Cc2cn(C3CC3)nn2)CCc2cc(Br)ccc2C1 ZINC000906312571 654427077 /nfs/dbraw/zinc/42/70/77/654427077.db2.gz CKNRIQWNWLOXSI-KRWDZBQOSA-N 1 0 377.286 2.385 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[C@@H](O)C(Cl)(Cl)Cl)C[C@H](C)O1 ZINC000906410777 654435835 /nfs/dbraw/zinc/43/58/35/654435835.db2.gz KTKWGUQWBVFCHR-QNWHQSFQSA-N 1 0 387.735 2.208 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906436026 654437122 /nfs/dbraw/zinc/43/71/22/654437122.db2.gz OPXQYSAEHRZUFK-GFCCVEGCSA-N 1 0 382.302 2.406 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)C(F)(F)c2ncccc2Br)n1 ZINC000906465675 654441315 /nfs/dbraw/zinc/44/13/15/654441315.db2.gz PRQCGDNCRHAUCN-UHFFFAOYSA-N 1 0 388.216 2.333 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923331178 654444943 /nfs/dbraw/zinc/44/49/43/654444943.db2.gz LJWVXMROTPPRJT-LSDHHAIUSA-N 1 0 375.282 2.402 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br)[NH+](C)C ZINC000873668745 654446518 /nfs/dbraw/zinc/44/65/18/654446518.db2.gz BHZANQVXCOUZAV-ZETCQYMHSA-N 1 0 380.645 2.246 20 0 GEADRO C[NH+](C)CCOc1cccc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)c1 ZINC000906537483 654447559 /nfs/dbraw/zinc/44/75/59/654447559.db2.gz ZBZYMESRKCNOAG-ZDUSSCGKSA-N 1 0 383.703 2.364 20 0 GEADRO Cn1nc(Br)nc1CNc1ccccc1C[NH+]1CCC(O)CC1 ZINC000894110076 654447608 /nfs/dbraw/zinc/44/76/08/654447608.db2.gz KPNNJTXJVOUBGB-UHFFFAOYSA-N 1 0 380.290 2.146 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)CNc1cc[nH+]cc1CO ZINC000894109224 654447703 /nfs/dbraw/zinc/44/77/03/654447703.db2.gz KLFHJPFAHAYSNR-GFCCVEGCSA-N 1 0 381.270 2.030 20 0 GEADRO [NH3+]CC12CC(C1)CN2C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923392689 654448550 /nfs/dbraw/zinc/44/85/50/654448550.db2.gz ZJFUKPFEXXQWKE-WBFHCKIUSA-N 1 0 375.694 2.265 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnc3ccccc3c2Br)C1 ZINC000873686343 654448762 /nfs/dbraw/zinc/44/87/62/654448762.db2.gz CSRZMFIUWBYLKK-LLVKDONJSA-N 1 0 391.269 2.146 20 0 GEADRO COC(=O)c1cc(Br)c(CN2CC[C@@H](F)[C@H]([NH3+])C2)cc1OC ZINC000923396048 654449391 /nfs/dbraw/zinc/44/93/91/654449391.db2.gz URRNUJXZUATIHW-CHWSQXEVSA-N 1 0 375.238 2.115 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873693264 654449718 /nfs/dbraw/zinc/44/97/18/654449718.db2.gz XDMWAPSCUHXKND-LLVKDONJSA-N 1 0 398.301 2.169 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H]([NH2+]CCO)C2)c(Br)c1 ZINC000923404372 654450129 /nfs/dbraw/zinc/45/01/29/654450129.db2.gz IOIIWFPGEHNQRQ-KGLIPLIRSA-N 1 0 384.318 2.131 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccn2ncc(Br)c12 ZINC000906579184 654450355 /nfs/dbraw/zinc/45/03/55/654450355.db2.gz AAZIWVSAWUTZGC-CYBMUJFWSA-N 1 0 395.301 2.280 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000873702653 654450891 /nfs/dbraw/zinc/45/08/91/654450891.db2.gz NACXGYOECLHFOY-ZDUSSCGKSA-N 1 0 396.285 2.093 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCC2)C[C@@H]1C(F)(F)F ZINC000894155306 654451242 /nfs/dbraw/zinc/45/12/42/654451242.db2.gz BUPYYAJRXRCNJB-XQQFMLRXSA-N 1 0 385.448 2.454 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CCC2)C[C@@H]1C(F)(F)F ZINC000894155305 654451343 /nfs/dbraw/zinc/45/13/43/654451343.db2.gz BUPYYAJRXRCNJB-UPJWGTAASA-N 1 0 385.448 2.454 20 0 GEADRO CC(C)[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)N1CCOCC1 ZINC000894162166 654451692 /nfs/dbraw/zinc/45/16/92/654451692.db2.gz ZPXIDTUZMVGPBZ-CQSZACIVSA-N 1 0 388.965 2.080 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C[C@@H](O)COc1ccc(Cl)cc1Br)C2 ZINC000923428810 654452297 /nfs/dbraw/zinc/45/22/97/654452297.db2.gz ZYGUKWPHZWDANY-NORZTCDRSA-N 1 0 389.721 2.384 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cc(Br)ccc1Cl ZINC000906601157 654452476 /nfs/dbraw/zinc/45/24/76/654452476.db2.gz FXTQAHQPFMGRDA-GFCCVEGCSA-N 1 0 388.737 2.397 20 0 GEADRO Cn1cc(C[NH2+]CCCOCC(F)(F)F)c(I)n1 ZINC000894171801 654452595 /nfs/dbraw/zinc/45/25/95/654452595.db2.gz ABFDLSCZUXZPFH-UHFFFAOYSA-N 1 0 377.148 2.083 20 0 GEADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000873716324 654453210 /nfs/dbraw/zinc/45/32/10/654453210.db2.gz IHDPDRRUZMLIGF-UHFFFAOYSA-N 1 0 392.656 2.392 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873717159 654453465 /nfs/dbraw/zinc/45/34/65/654453465.db2.gz YZJYYWXUHLKTRK-CYBMUJFWSA-N 1 0 396.285 2.191 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000923451202 654454184 /nfs/dbraw/zinc/45/41/84/654454184.db2.gz JXVFJISBXHTTPZ-AWEZNQCLSA-N 1 0 382.306 2.397 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)nc12 ZINC000894195682 654454785 /nfs/dbraw/zinc/45/47/85/654454785.db2.gz SVWNFXXYIRGZCT-DOMZBBRYSA-N 1 0 392.301 2.251 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000873732147 654455865 /nfs/dbraw/zinc/45/58/65/654455865.db2.gz JUSIZELWCZDEMI-GXFFZTMASA-N 1 0 396.285 2.189 20 0 GEADRO COC(=O)[C@@H]1[C@H](C[NH2+]CC(=O)Nc2ccc(Br)cc2C)C1(F)F ZINC000894208914 654456352 /nfs/dbraw/zinc/45/63/52/654456352.db2.gz NJEGJQIMBPXWPU-GWCFXTLKSA-N 1 0 391.212 2.340 20 0 GEADRO CC(C)C[C@H](CNC(=O)c1nscc1I)[NH+](C)C ZINC000906672919 654458630 /nfs/dbraw/zinc/45/86/30/654458630.db2.gz HFZDQBNXUAQBJX-SECBINFHSA-N 1 0 381.283 2.454 20 0 GEADRO Cc1c(C(=O)N[C@H](C)CC[NH+](C)C)nnn1-c1ccccc1Br ZINC000906679207 654459259 /nfs/dbraw/zinc/45/92/59/654459259.db2.gz NPLPGZDHWNFARV-LLVKDONJSA-N 1 0 380.290 2.408 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)cnc1Br ZINC000906688207 654460214 /nfs/dbraw/zinc/46/02/14/654460214.db2.gz DVGNIXUNOHIRGB-UHFFFAOYSA-N 1 0 397.317 2.315 20 0 GEADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c(I)cnn1C ZINC000894259015 654460488 /nfs/dbraw/zinc/46/04/88/654460488.db2.gz OXZQHNGOGXJWQC-RISCZKNCSA-N 1 0 385.249 2.279 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)nnn1-c1ccccc1Br ZINC000906693525 654461479 /nfs/dbraw/zinc/46/14/79/654461479.db2.gz OZGUSXBXVIMXAZ-ZDUSSCGKSA-N 1 0 392.301 2.362 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000906701170 654462472 /nfs/dbraw/zinc/46/24/72/654462472.db2.gz NKXKRRQKRJQSHP-LLVKDONJSA-N 1 0 392.656 2.294 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534094 654463637 /nfs/dbraw/zinc/46/36/37/654463637.db2.gz NZSLSJLTKVALKW-INIZCTEOSA-N 1 0 377.290 2.143 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)cc1Br ZINC000906715230 654463854 /nfs/dbraw/zinc/46/38/54/654463854.db2.gz MSIRYGSWRIUQEG-UHFFFAOYSA-N 1 0 396.285 2.045 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906715424 654463951 /nfs/dbraw/zinc/46/39/51/654463951.db2.gz RMWNRWOMUMUVOD-UHFFFAOYSA-N 1 0 384.249 2.175 20 0 GEADRO Cn1cc(C[NH2+]CC2(CCO)CCCCC2)c(I)n1 ZINC000894318405 654464734 /nfs/dbraw/zinc/46/47/34/654464734.db2.gz YSOFUHQYIABTMQ-UHFFFAOYSA-N 1 0 377.270 2.447 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC000906738753 654466410 /nfs/dbraw/zinc/46/64/10/654466410.db2.gz IZGXPSVHGUXTCP-CZMCAQCFSA-N 1 0 379.766 2.073 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(I)n1 ZINC000894343575 654467009 /nfs/dbraw/zinc/46/70/09/654467009.db2.gz FSZDFSVDFYCGGX-DGCLKSJQSA-N 1 0 393.294 2.169 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000894344660 654467111 /nfs/dbraw/zinc/46/71/11/654467111.db2.gz VZYBSIXURWVWKT-MFKMUULPSA-N 1 0 393.294 2.169 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C2 ZINC000906751792 654468107 /nfs/dbraw/zinc/46/81/07/654468107.db2.gz DOKFPBJIDUGHLO-QWRKXWFKSA-N 1 0 386.677 2.379 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Cl)cc1Br)C2 ZINC000906754977 654468441 /nfs/dbraw/zinc/46/84/41/654468441.db2.gz IGOOTLAJDXNGEA-LSJOCFKGSA-N 1 0 386.677 2.379 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C2 ZINC000906755954 654468756 /nfs/dbraw/zinc/46/87/56/654468756.db2.gz MUILECDGQDTIRS-NRPADANISA-N 1 0 388.212 2.004 20 0 GEADRO C[C@H]([NH2+]Cc1cn(C)nc1I)[C@@H](O)Cc1ccccc1 ZINC000894357874 654468955 /nfs/dbraw/zinc/46/89/55/654468955.db2.gz DBNNHSDNCXCCIM-FZMZJTMJSA-N 1 0 385.249 2.106 20 0 GEADRO C[C@H](c1ccncc1)[NH+]1CCC(NCc2nc(Br)nn2C)CC1 ZINC000894359611 654469476 /nfs/dbraw/zinc/46/94/76/654469476.db2.gz PKQKSWBJJNTIOY-GFCCVEGCSA-N 1 0 379.306 2.288 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906765735 654469587 /nfs/dbraw/zinc/46/95/87/654469587.db2.gz POAHZEKZJYSOMU-HNNXBMFYSA-N 1 0 388.212 2.020 20 0 GEADRO Cn1cc(C[NH2+]CCSCC(F)(F)F)c(I)n1 ZINC000894362881 654470018 /nfs/dbraw/zinc/47/00/18/654470018.db2.gz YPDCMLFAOXJCDX-UHFFFAOYSA-N 1 0 379.189 2.410 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906767891 654470063 /nfs/dbraw/zinc/47/00/63/654470063.db2.gz VQQMWLRUPYSDPY-KRWDZBQOSA-N 1 0 380.286 2.359 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906773210 654470538 /nfs/dbraw/zinc/47/05/38/654470538.db2.gz SXFRKOZCLIROAF-OAHLLOKOSA-N 1 0 386.677 2.396 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906778735 654471444 /nfs/dbraw/zinc/47/14/44/654471444.db2.gz JOIDUFCDLFZHQV-VFZGTOFNSA-N 1 0 386.677 2.299 20 0 GEADRO COC(=O)c1cc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)cs1 ZINC000894385002 654471776 /nfs/dbraw/zinc/47/17/76/654471776.db2.gz JSRVZQPMJSQVGP-CQSZACIVSA-N 1 0 377.388 2.198 20 0 GEADRO CN1CC[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000923634241 654472716 /nfs/dbraw/zinc/47/27/16/654472716.db2.gz LGKASNSLPLMNLR-CKEIUWERSA-N 1 0 389.924 2.143 20 0 GEADRO C[C@H]1C[C@H](NC(=O)c2cnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000906798801 654473326 /nfs/dbraw/zinc/47/33/26/654473326.db2.gz PXPZYQAZYFKTLT-NWDGAFQWSA-N 1 0 378.274 2.242 20 0 GEADRO O=S(=O)(NCc1ccncc1O[C@H]1CC[NH2+]C1)c1cscc1C(F)F ZINC000923670246 654475020 /nfs/dbraw/zinc/47/50/20/654475020.db2.gz OWQNCWNHKPGOKU-NSHDSACASA-N 1 0 389.449 2.300 20 0 GEADRO COCCC1(NS(=O)(=O)c2cnc(-c3ccccc3)s2)CC[NH2+]CC1 ZINC000923674732 654475356 /nfs/dbraw/zinc/47/53/56/654475356.db2.gz STNNVGVJHHZSIN-UHFFFAOYSA-N 1 0 381.523 2.247 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1Cl ZINC000923680442 654475937 /nfs/dbraw/zinc/47/59/37/654475937.db2.gz VHVNBVUFPHEZJO-HZPDHXFCSA-N 1 0 389.880 2.248 20 0 GEADRO CC1(C)CC[N@H+](CCNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000894435477 654476006 /nfs/dbraw/zinc/47/60/06/654476006.db2.gz LGMSSHMPHRFOTF-UHFFFAOYSA-N 1 0 387.933 2.275 20 0 GEADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)s1 ZINC000923681674 654475972 /nfs/dbraw/zinc/47/59/72/654475972.db2.gz PHPWTBBSYYWVKQ-UHFFFAOYSA-N 1 0 385.477 2.121 20 0 GEADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000923684006 654476437 /nfs/dbraw/zinc/47/64/37/654476437.db2.gz STDKDHHBXMCFIU-UHFFFAOYSA-N 1 0 379.448 2.059 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)[C@]12CCCO2 ZINC000894462130 654477672 /nfs/dbraw/zinc/47/76/72/654477672.db2.gz UKEAMDMERHRYMJ-JJRVBVJISA-N 1 0 387.933 2.449 20 0 GEADRO C[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)CC[C@H]1C[NH3+] ZINC000923698349 654478625 /nfs/dbraw/zinc/47/86/25/654478625.db2.gz CEPFLMOHMHQPAX-QWRGUYRKSA-N 1 0 379.295 2.335 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@@H](CC[NH3+])C3)cc21 ZINC000923699023 654478641 /nfs/dbraw/zinc/47/86/41/654478641.db2.gz JSFFQCCFKKJZEC-LLVKDONJSA-N 1 0 386.315 2.300 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923700680 654478945 /nfs/dbraw/zinc/47/89/45/654478945.db2.gz WLMYGKJUNDMMNY-QWRGUYRKSA-N 1 0 377.304 2.063 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906848148 654479230 /nfs/dbraw/zinc/47/92/30/654479230.db2.gz UKUNTXMOJJUEOO-ZDUSSCGKSA-N 1 0 392.301 2.444 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c(Br)c1 ZINC000923702725 654479338 /nfs/dbraw/zinc/47/93/38/654479338.db2.gz MVNJJIVJCCJGNX-MNOVXSKESA-N 1 0 377.304 2.063 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000894481058 654479534 /nfs/dbraw/zinc/47/95/34/654479534.db2.gz MOGQPPNKIXIOLH-ZWNOBZJWSA-N 1 0 390.299 2.149 20 0 GEADRO Cc1n[nH]c(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1Br ZINC000856410754 654479894 /nfs/dbraw/zinc/47/98/94/654479894.db2.gz OOEUQIVOTWKDRS-LBPRGKRZSA-N 1 0 385.306 2.196 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923705104 654480073 /nfs/dbraw/zinc/48/00/73/654480073.db2.gz VUIUWMSEBWLIRS-MNOVXSKESA-N 1 0 377.304 2.063 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923715345 654480754 /nfs/dbraw/zinc/48/07/54/654480754.db2.gz SAXKVQQPKIULGR-VHSXEESVSA-N 1 0 379.707 2.333 20 0 GEADRO COc1ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)nc1Br ZINC000856429759 654481248 /nfs/dbraw/zinc/48/12/48/654481248.db2.gz MHJNIUQTSPHCMN-LBPRGKRZSA-N 1 0 386.290 2.036 20 0 GEADRO Cc1sc(Br)nc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856431414 654481251 /nfs/dbraw/zinc/48/12/51/654481251.db2.gz RXPVTGUSJIUSQK-LLVKDONJSA-N 1 0 376.320 2.397 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000873913591 654481814 /nfs/dbraw/zinc/48/18/14/654481814.db2.gz XEMACUGUMSKMGG-CYBMUJFWSA-N 1 0 398.301 2.337 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1nccn2c(Br)cnc12 ZINC000856479316 654483152 /nfs/dbraw/zinc/48/31/52/654483152.db2.gz JQQHLZUZDZYNGY-ZDUSSCGKSA-N 1 0 392.301 2.344 20 0 GEADRO C[NH+]1CCC(OCC(=O)OCc2ccc(I)cc2)CC1 ZINC000923788747 654483435 /nfs/dbraw/zinc/48/34/35/654483435.db2.gz MSRSJVODHRJGBB-UHFFFAOYSA-N 1 0 389.233 2.445 20 0 GEADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2c(I)cnn2C)c1 ZINC000894532867 654483567 /nfs/dbraw/zinc/48/35/67/654483567.db2.gz NUPVKBPOWZCSAK-ZDUSSCGKSA-N 1 0 385.249 2.026 20 0 GEADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3CSCCS3)C2)ccn1 ZINC000856631952 654485730 /nfs/dbraw/zinc/48/57/30/654485730.db2.gz OIVOFIGYCIGZEE-IRXDYDNUSA-N 1 0 381.567 2.362 20 0 GEADRO Cn1ncc(I)c1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000894592199 654488715 /nfs/dbraw/zinc/48/87/15/654488715.db2.gz IRZZPSJXQCGIHR-GFCCVEGCSA-N 1 0 384.221 2.073 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(Br)nc2n1CCOC2 ZINC000856740179 654488899 /nfs/dbraw/zinc/48/88/99/654488899.db2.gz UXEORCNQDULIMZ-LBPRGKRZSA-N 1 0 385.306 2.170 20 0 GEADRO CCOC(=O)c1ncc(C[NH2+]CCn2cc(Br)ccc2=O)s1 ZINC000894666450 654493331 /nfs/dbraw/zinc/49/33/31/654493331.db2.gz HJUBMNUJSBWWIZ-UHFFFAOYSA-N 1 0 386.271 2.034 20 0 GEADRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894679637 654494060 /nfs/dbraw/zinc/49/40/60/654494060.db2.gz VAZDJNCBBZXJKL-CQSZACIVSA-N 1 0 385.249 2.465 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856849439 654497416 /nfs/dbraw/zinc/49/74/16/654497416.db2.gz PRPSGLYFHZHZBL-CYBMUJFWSA-N 1 0 384.318 2.392 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)C1 ZINC000906997633 654497749 /nfs/dbraw/zinc/49/77/49/654497749.db2.gz HACJWAMDKYGZKD-NSHDSACASA-N 1 0 378.878 2.072 20 0 GEADRO C[C@@H](CNC(=O)N1CC(O)(c2cccc(Br)c2)C1)[N@H+](C)C1CC1 ZINC000856858049 654498067 /nfs/dbraw/zinc/49/80/67/654498067.db2.gz OHAJEGZHHRHRIJ-LBPRGKRZSA-N 1 0 382.302 2.145 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906998813 654498010 /nfs/dbraw/zinc/49/80/10/654498010.db2.gz JJVBVHHRZVGHDS-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO CCn1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)nn1 ZINC000894765523 654498124 /nfs/dbraw/zinc/49/81/24/654498124.db2.gz KJFWRNFTTZFHAT-LBPRGKRZSA-N 1 0 383.290 2.010 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)Cc2nc(Br)nn2C)c1 ZINC000894777902 654498230 /nfs/dbraw/zinc/49/82/30/654498230.db2.gz VPTVETPGNBKEQA-UHFFFAOYSA-N 1 0 382.306 2.150 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000924045633 654498828 /nfs/dbraw/zinc/49/88/28/654498828.db2.gz PAGVLCORZDQXNO-OAHLLOKOSA-N 1 0 378.274 2.138 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)n1 ZINC000894803376 654500187 /nfs/dbraw/zinc/50/01/87/654500187.db2.gz XAVVXPPWARMHFX-IYBDPMFKSA-N 1 0 383.290 2.194 20 0 GEADRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1I)C1(CO)CCC1 ZINC000894833828 654501790 /nfs/dbraw/zinc/50/17/90/654501790.db2.gz MWYSNGCMYVNTQE-LBPRGKRZSA-N 1 0 377.270 2.302 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCCn2cc(Br)cn2)C1 ZINC000894871172 654503344 /nfs/dbraw/zinc/50/33/44/654503344.db2.gz RFHSKYADOCVQDU-AWEZNQCLSA-N 1 0 386.338 2.409 20 0 GEADRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cn(C)nc1I)C(C)C ZINC000894899791 654504360 /nfs/dbraw/zinc/50/43/60/654504360.db2.gz BCQVCKOEIOUWEI-STQMWFEESA-N 1 0 379.286 2.403 20 0 GEADRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cn(C)nc1I)C(C)C ZINC000894899785 654504363 /nfs/dbraw/zinc/50/43/63/654504363.db2.gz BCQVCKOEIOUWEI-CHWSQXEVSA-N 1 0 379.286 2.403 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c(I)n1 ZINC000894907806 654504942 /nfs/dbraw/zinc/50/49/42/654504942.db2.gz XCFSUINWJYYRHQ-KGLIPLIRSA-N 1 0 398.248 2.430 20 0 GEADRO Cn1nc(Br)nc1C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000894938558 654506628 /nfs/dbraw/zinc/50/66/28/654506628.db2.gz CHQGSKSASMSSIN-GHMZBOCLSA-N 1 0 388.310 2.361 20 0 GEADRO CN(Cc1nc(Br)nn1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000894960916 654507999 /nfs/dbraw/zinc/50/79/99/654507999.db2.gz YGHCMYHKZCCUAY-UHFFFAOYSA-N 1 0 384.244 2.426 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000907132752 654513096 /nfs/dbraw/zinc/51/30/96/654513096.db2.gz PEXJUDKSVXEPLK-UHFFFAOYSA-N 1 0 392.301 2.067 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000907145548 654514658 /nfs/dbraw/zinc/51/46/58/654514658.db2.gz XQJVRRXOXDDWQI-UHFFFAOYSA-N 1 0 387.322 2.145 20 0 GEADRO Cn1cc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Br)n1 ZINC000924560681 654518656 /nfs/dbraw/zinc/51/86/56/654518656.db2.gz RDSXAMACCZJLMU-SWLSCSKDSA-N 1 0 396.333 2.341 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924674290 654522110 /nfs/dbraw/zinc/52/21/10/654522110.db2.gz LZPBOWCLJGHFLE-CQSZACIVSA-N 1 0 390.347 2.483 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924822360 654525636 /nfs/dbraw/zinc/52/56/36/654525636.db2.gz LEEMWUKHXFLGPP-BPNCWPANSA-N 1 0 384.274 2.007 20 0 GEADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)C2(Br)CC2)cc1 ZINC000924837391 654525907 /nfs/dbraw/zinc/52/59/07/654525907.db2.gz LZRWFVCYSBWLHK-LBPRGKRZSA-N 1 0 391.331 2.017 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)oc1Cl ZINC000907301094 654529235 /nfs/dbraw/zinc/52/92/35/654529235.db2.gz YCVMKTWNOXOBEA-AAEUAGOBSA-N 1 0 392.905 2.461 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1)C(F)(F)F ZINC000925039536 654532251 /nfs/dbraw/zinc/53/22/51/654532251.db2.gz HEMZASWANGRKQW-LSDHHAIUSA-N 1 0 384.464 2.343 20 0 GEADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1c(Cl)ccnc1Cl ZINC000907328256 654532242 /nfs/dbraw/zinc/53/22/42/654532242.db2.gz MOTKZUCVDWJEEB-UHFFFAOYSA-N 1 0 394.324 2.310 20 0 GEADRO C[C@@H](CCNC(=O)c1cn(C)nc1I)[NH+]1CCCCC1 ZINC000907341237 654533543 /nfs/dbraw/zinc/53/35/43/654533543.db2.gz OSLOGQMERKIRJF-NSHDSACASA-N 1 0 390.269 2.019 20 0 GEADRO C[C@H]([NH2+][C@H]1CSc2ccccc21)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925091679 654533551 /nfs/dbraw/zinc/53/35/51/654533551.db2.gz ANGMDXFPQCJAPM-LRDDRELGSA-N 1 0 376.503 2.443 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CN1C(=O)[C@@H](c2cc(OC)ccc2Br)N(C)C1=O ZINC000925097476 654533716 /nfs/dbraw/zinc/53/37/16/654533716.db2.gz PTLWDDRKXACXPE-IAQYHMDHSA-N 1 0 396.285 2.487 20 0 GEADRO C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925128856 654534420 /nfs/dbraw/zinc/53/44/20/654534420.db2.gz GQUDOPQMOLYIEL-NSHDSACASA-N 1 0 395.356 2.450 20 0 GEADRO CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000925143087 654534613 /nfs/dbraw/zinc/53/46/13/654534613.db2.gz PSPAVDGIUOLENO-JKSUJKDBSA-N 1 0 383.539 2.182 20 0 GEADRO CCn1c(Br)ncc1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000907349857 654534667 /nfs/dbraw/zinc/53/46/67/654534667.db2.gz KIEVUSSIQKTUDK-QWHCGFSZSA-N 1 0 387.347 2.317 20 0 GEADRO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000925141321 654534740 /nfs/dbraw/zinc/53/47/40/654534740.db2.gz CONLWURNLODVAW-ZFWWWQNUSA-N 1 0 382.917 2.401 20 0 GEADRO O=C(NC[C@H](O)c1c(F)cccc1Cl)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925150472 654535064 /nfs/dbraw/zinc/53/50/64/654535064.db2.gz CVVGMOHLIDBHEK-KFWWJZLASA-N 1 0 387.908 2.392 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000907371681 654537267 /nfs/dbraw/zinc/53/72/67/654537267.db2.gz KSJMMZSYMGDBLE-KSSFIOAISA-N 1 0 397.313 2.274 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000907371679 654537292 /nfs/dbraw/zinc/53/72/92/654537292.db2.gz KSJMMZSYMGDBLE-KBXCAEBGSA-N 1 0 397.313 2.274 20 0 GEADRO C[C@H](C[NH2+][C@H]1C(=O)NCC12CCOCC2)Oc1ccccc1Br ZINC000925214995 654537947 /nfs/dbraw/zinc/53/79/47/654537947.db2.gz BLVPUUNUSHWOIJ-DOMZBBRYSA-N 1 0 383.286 2.101 20 0 GEADRO COCC[N@H+](C)CCCN1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000925286753 654539692 /nfs/dbraw/zinc/53/96/92/654539692.db2.gz MIEUZLMYGFNQBE-AWEZNQCLSA-N 1 0 384.274 2.010 20 0 GEADRO COCC[N@H+](C)CCCN1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O ZINC000925286126 654539731 /nfs/dbraw/zinc/53/97/31/654539731.db2.gz HCFAZCAVGHACDY-OAHLLOKOSA-N 1 0 398.301 2.353 20 0 GEADRO COc1ccc(Br)c([C@@H]2C(=O)N(C[C@@H]3CCC[N@@H+]3C)C(=O)N2C)c1 ZINC000925290191 654539900 /nfs/dbraw/zinc/53/99/00/654539900.db2.gz CMAGNEOWLUNELW-XHDPSFHLSA-N 1 0 396.285 2.487 20 0 GEADRO CN1C(=O)N(C2CC[NH+](CCO)CC2)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000925305692 654540970 /nfs/dbraw/zinc/54/09/70/654540970.db2.gz LBZCXEJJPVCWRG-OAHLLOKOSA-N 1 0 386.279 2.385 20 0 GEADRO C[C@H]1[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000925334853 654542009 /nfs/dbraw/zinc/54/20/09/654542009.db2.gz OBJBVTSYQMFAIJ-CMPLNLGQSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000925364802 654542647 /nfs/dbraw/zinc/54/26/47/654542647.db2.gz REDZVRVUEAKGGL-CYBMUJFWSA-N 1 0 376.469 2.480 20 0 GEADRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(OC)n1 ZINC000925397762 654544003 /nfs/dbraw/zinc/54/40/03/654544003.db2.gz QWGIUBFEUIRBDR-ZDUSSCGKSA-N 1 0 377.457 2.395 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000925417170 654544434 /nfs/dbraw/zinc/54/44/34/654544434.db2.gz MPQJJIFCWQYGTQ-DOMZBBRYSA-N 1 0 386.265 2.375 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000925437752 654544681 /nfs/dbraw/zinc/54/46/81/654544681.db2.gz FNMURYJNLXWYFZ-WBVHZDCISA-N 1 0 382.302 2.146 20 0 GEADRO Brc1ccc(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c(N2CCOCC2)c1 ZINC000925617774 654546953 /nfs/dbraw/zinc/54/69/53/654546953.db2.gz SERYWTLZMBLSKS-FUUSMOTLSA-N 1 0 392.341 2.372 20 0 GEADRO COC[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1 ZINC000925685638 654547613 /nfs/dbraw/zinc/54/76/13/654547613.db2.gz LOZULRKFTBAMPM-SJKOYZFVSA-N 1 0 376.469 2.302 20 0 GEADRO OC[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)Cc1cc(Br)ccc1F ZINC000925688827 654548089 /nfs/dbraw/zinc/54/80/89/654548089.db2.gz QJAYCZJOIGGBTE-JONXDRGHSA-N 1 0 383.305 2.325 20 0 GEADRO O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1ccc(Br)cc1 ZINC000925891600 654552498 /nfs/dbraw/zinc/55/24/98/654552498.db2.gz SNWKNHOREWIRDT-ZDUSSCGKSA-N 1 0 382.258 2.256 20 0 GEADRO CNC(=O)c1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl ZINC000925964536 654554904 /nfs/dbraw/zinc/55/49/04/654554904.db2.gz FRVFLVUREHIALI-JQWIXIFHSA-N 1 0 378.782 2.443 20 0 GEADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000925993795 654555629 /nfs/dbraw/zinc/55/56/29/654555629.db2.gz NBKFFAXVCVMBQU-KRWDZBQOSA-N 1 0 384.933 2.211 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1Br ZINC000907549614 654556987 /nfs/dbraw/zinc/55/69/87/654556987.db2.gz UQYSDMHHMXSSTD-XHDPSFHLSA-N 1 0 389.315 2.030 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(C)c1Cl ZINC000907563272 654558205 /nfs/dbraw/zinc/55/82/05/654558205.db2.gz CYWSVRPFOJVZID-ZUZCIYMTSA-N 1 0 392.930 2.069 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000926109324 654559495 /nfs/dbraw/zinc/55/94/95/654559495.db2.gz ZFJRHTURUSLKTC-MNOVXSKESA-N 1 0 379.262 2.007 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(Cl)c1)N1CCNCC[NH2+]CC1 ZINC000926116224 654559619 /nfs/dbraw/zinc/55/96/19/654559619.db2.gz QFXNAWXCEONMRU-UHFFFAOYSA-N 1 0 379.661 2.268 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926125482 654559914 /nfs/dbraw/zinc/55/99/14/654559914.db2.gz DGRGLAFSSANKPX-LBPRGKRZSA-N 1 0 383.290 2.433 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ncsc1C(F)(F)F)C2 ZINC000926162602 654562062 /nfs/dbraw/zinc/56/20/62/654562062.db2.gz WZMGUAXJFHZECX-NOBRSGAKSA-N 1 0 377.432 2.371 20 0 GEADRO Cn1cc(CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c(Br)n1 ZINC000926180084 654562517 /nfs/dbraw/zinc/56/25/17/654562517.db2.gz ULEMDXHQGXCIBI-CQSZACIVSA-N 1 0 394.273 2.165 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000926173041 654562627 /nfs/dbraw/zinc/56/26/27/654562627.db2.gz ALFQEJXTRDAEQM-LMLFDSFASA-N 1 0 377.329 2.408 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)ccc1O)C2 ZINC000926186660 654562975 /nfs/dbraw/zinc/56/29/75/654562975.db2.gz QVYFZLJBYDKKPT-GFOCRRMGSA-N 1 0 397.313 2.364 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cccc(Br)n3)C2)[C@@H]1C(C)C ZINC000926258709 654564908 /nfs/dbraw/zinc/56/49/08/654564908.db2.gz SLIUMYSDOMIUMU-AHEZYBDSSA-N 1 0 396.329 2.444 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926283113 654565855 /nfs/dbraw/zinc/56/58/55/654565855.db2.gz JIPUHYNOTYCCNZ-SFHVURJKSA-N 1 0 394.313 2.152 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926301482 654567735 /nfs/dbraw/zinc/56/77/35/654567735.db2.gz VVGAYCHCLYUMLF-CQSZACIVSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCOc1ccc(I)cc1 ZINC000926366925 654569584 /nfs/dbraw/zinc/56/95/84/654569584.db2.gz HVHPSBFWWVLPML-YPMHNXCESA-N 1 0 388.249 2.317 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)C(C)(C)CO)c1 ZINC000926417325 654570647 /nfs/dbraw/zinc/57/06/47/654570647.db2.gz IYSUHEHNYLSPRP-GFCCVEGCSA-N 1 0 393.347 2.032 20 0 GEADRO COc1ccc(Br)c(CN(C)C(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000907738024 654572535 /nfs/dbraw/zinc/57/25/35/654572535.db2.gz MWKGKOIBEDEBAI-KRWDZBQOSA-N 1 0 385.302 2.263 20 0 GEADRO Cn1cc(I)c(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)n1 ZINC000926539662 654574228 /nfs/dbraw/zinc/57/42/28/654574228.db2.gz HUWDANPRRWAELU-SMDDNHRTSA-N 1 0 375.254 2.320 20 0 GEADRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2nn(C)cc2I)cn1 ZINC000926540746 654574432 /nfs/dbraw/zinc/57/44/32/654574432.db2.gz LJCYPBTYRJEVQA-TZMCWYRMSA-N 1 0 399.280 2.259 20 0 GEADRO COC1(OC)CC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000926545996 654574961 /nfs/dbraw/zinc/57/49/61/654574961.db2.gz YUUIINRAWOTAKP-IUODEOHRSA-N 1 0 376.266 2.480 20 0 GEADRO CCCC[N@H+](C)CC1CCN(C(=O)NCC(C)(C)CS(C)(=O)=O)CC1 ZINC000926731181 654580779 /nfs/dbraw/zinc/58/07/79/654580779.db2.gz GULADKXQCSOJJO-UHFFFAOYSA-N 1 0 375.579 2.211 20 0 GEADRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cccc(Br)n1 ZINC000926745775 654581364 /nfs/dbraw/zinc/58/13/64/654581364.db2.gz PLNYKOFGHKEPKX-DYVFJYSZSA-N 1 0 384.318 2.111 20 0 GEADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000907854017 654583550 /nfs/dbraw/zinc/58/35/50/654583550.db2.gz SWXPRNVMNUPGJY-UHFFFAOYSA-N 1 0 378.416 2.487 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1 ZINC000926924922 654584538 /nfs/dbraw/zinc/58/45/38/654584538.db2.gz BXVQZALOCAOJCX-TZMCWYRMSA-N 1 0 379.448 2.272 20 0 GEADRO CN1CCO[C@H]([C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000926953038 654584779 /nfs/dbraw/zinc/58/47/79/654584779.db2.gz HIFDECAGSJNNHT-DLBZAZTESA-N 1 0 388.961 2.372 20 0 GEADRO C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)C1 ZINC000927026461 654589964 /nfs/dbraw/zinc/58/99/64/654589964.db2.gz QFHFEJYOOGGMQD-WPGHFRTFSA-N 1 0 390.343 2.458 20 0 GEADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000927038699 654590512 /nfs/dbraw/zinc/59/05/12/654590512.db2.gz FINXDSFHYYYWKZ-WQGXVZNYSA-N 1 0 379.469 2.441 20 0 GEADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1nscc1I ZINC000907930195 654590635 /nfs/dbraw/zinc/59/06/35/654590635.db2.gz MYMPPJNCMUZOCS-VIFPVBQESA-N 1 0 379.267 2.304 20 0 GEADRO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000927080128 654591270 /nfs/dbraw/zinc/59/12/70/654591270.db2.gz HDAKAKLBVYSWBN-UWVGGRQHSA-N 1 0 383.297 2.097 20 0 GEADRO C[C@@H]([NH2+]CCOC1CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000927080325 654591308 /nfs/dbraw/zinc/59/13/08/654591308.db2.gz SKKOXNYMLUORGM-SNVBAGLBSA-N 1 0 397.324 2.487 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000907941721 654591722 /nfs/dbraw/zinc/59/17/22/654591722.db2.gz ZDGMRVWOASZFGI-ZFRZLUBXSA-N 1 0 385.277 2.406 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000927103175 654591968 /nfs/dbraw/zinc/59/19/68/654591968.db2.gz OCGDBYBOUWMACO-UHFFFAOYSA-N 1 0 384.322 2.260 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927108252 654592916 /nfs/dbraw/zinc/59/29/16/654592916.db2.gz ZEKGUBVZJMRARL-GJZGRUSLSA-N 1 0 396.333 2.403 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)c1ccnn1C ZINC000927131160 654595131 /nfs/dbraw/zinc/59/51/31/654595131.db2.gz HVZBZJMLQOIDSJ-XHDPSFHLSA-N 1 0 381.274 2.223 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)c1ccnn1C ZINC000927131157 654595208 /nfs/dbraw/zinc/59/52/08/654595208.db2.gz HVZBZJMLQOIDSJ-IAQYHMDHSA-N 1 0 381.274 2.223 20 0 GEADRO COc1ccc(N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)c(Br)c1 ZINC000927221350 654596446 /nfs/dbraw/zinc/59/64/46/654596446.db2.gz MVSNTJLPZOCQGZ-ZDUSSCGKSA-N 1 0 382.258 2.368 20 0 GEADRO C[NH+](C)C[C@@H]1NC(=O)N(c2cc(OC(F)(F)F)ccc2Br)C1=O ZINC000927273512 654597672 /nfs/dbraw/zinc/59/76/72/654597672.db2.gz GBGVKWFCGRLMOZ-VIFPVBQESA-N 1 0 396.163 2.334 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000908080770 654602896 /nfs/dbraw/zinc/60/28/96/654602896.db2.gz BVNCXNUZAFPEPD-SJORKVTESA-N 1 0 382.302 2.258 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000927819605 654615794 /nfs/dbraw/zinc/61/57/94/654615794.db2.gz PUKXUYXQUZACJL-NXEZZACHSA-N 1 0 388.693 2.403 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1Br ZINC000927828478 654616166 /nfs/dbraw/zinc/61/61/66/654616166.db2.gz BKTUIYQOAXHZBL-CHWSQXEVSA-N 1 0 382.302 2.448 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C[C@H]1C(F)(F)F ZINC000927841983 654616673 /nfs/dbraw/zinc/61/66/73/654616673.db2.gz KCXJTEJXMICRPD-MLUIRONXSA-N 1 0 388.148 2.419 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Cl)cc1F ZINC000927843406 654616697 /nfs/dbraw/zinc/61/66/97/654616697.db2.gz CBXSLMWVQLIFAF-LDYMZIIASA-N 1 0 381.757 2.464 20 0 GEADRO CCCc1nc(C)c(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000927845197 654616936 /nfs/dbraw/zinc/61/69/36/654616936.db2.gz KHYRTUMVYCPFOJ-VHSXEESVSA-N 1 0 378.420 2.081 20 0 GEADRO COC(=O)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000908261273 654617661 /nfs/dbraw/zinc/61/76/61/654617661.db2.gz HUHFWDGDIUMMLP-UHFFFAOYSA-N 1 0 383.286 2.435 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000908262210 654617966 /nfs/dbraw/zinc/61/79/66/654617966.db2.gz STBUXRBAWDCRML-PXAZEXFGSA-N 1 0 380.286 2.044 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)CC2 ZINC000927876280 654619184 /nfs/dbraw/zinc/61/91/84/654619184.db2.gz KRVPHYQZPMAXFF-AWEZNQCLSA-N 1 0 386.279 2.288 20 0 GEADRO CSC1(CNC(=O)[C@H](O)c2cccc(Br)c2)CC[NH+](C)CC1 ZINC000908286036 654619593 /nfs/dbraw/zinc/61/95/93/654619593.db2.gz MZULCXKJPWOLMR-CQSZACIVSA-N 1 0 387.343 2.426 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC000927888564 654619819 /nfs/dbraw/zinc/61/98/19/654619819.db2.gz BFYRLWFTXQQYKH-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000927889012 654619825 /nfs/dbraw/zinc/61/98/25/654619825.db2.gz KLZJCFQQOFIZDW-SECBINFHSA-N 1 0 379.766 2.374 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)c2cc(Br)ccc21 ZINC000927888355 654619882 /nfs/dbraw/zinc/61/98/82/654619882.db2.gz IXSJMFSWSALVDF-LBPRGKRZSA-N 1 0 394.313 2.271 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000927889186 654619988 /nfs/dbraw/zinc/61/99/88/654619988.db2.gz MWGKBEILVYBMGT-VIFPVBQESA-N 1 0 379.766 2.374 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[C@@H]1C[NH3+] ZINC000927892313 654620439 /nfs/dbraw/zinc/62/04/39/654620439.db2.gz XFFVSOFHAREBOD-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[C@@H]1C[NH3+] ZINC000927892315 654620481 /nfs/dbraw/zinc/62/04/81/654620481.db2.gz XFFVSOFHAREBOD-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c(F)cc1Br ZINC000927893361 654620670 /nfs/dbraw/zinc/62/06/70/654620670.db2.gz WUTOFBIKPUQPKE-MNOVXSKESA-N 1 0 386.265 2.278 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000927928395 654622069 /nfs/dbraw/zinc/62/20/69/654622069.db2.gz GPAFLODYHBGMBQ-CMPLNLGQSA-N 1 0 391.269 2.179 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000928013142 654625628 /nfs/dbraw/zinc/62/56/28/654625628.db2.gz VEYJHHXYMBFOCY-QGZVFWFLSA-N 1 0 385.277 2.320 20 0 GEADRO C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000908406845 654626706 /nfs/dbraw/zinc/62/67/06/654626706.db2.gz RYGCJNYEPBVIBV-SNVBAGLBSA-N 1 0 378.826 2.424 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000908441238 654629437 /nfs/dbraw/zinc/62/94/37/654629437.db2.gz OZIFSLNSKKLQJM-KRWDZBQOSA-N 1 0 388.295 2.285 20 0 GEADRO O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928095533 654630278 /nfs/dbraw/zinc/63/02/78/654630278.db2.gz KFZBFSURZZHSRR-CABCVRRESA-N 1 0 382.913 2.350 20 0 GEADRO O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928097523 654630592 /nfs/dbraw/zinc/63/05/92/654630592.db2.gz PUBOIVLAELHHRM-KBPBESRZSA-N 1 0 378.523 2.427 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)Nc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000908455665 654630813 /nfs/dbraw/zinc/63/08/13/654630813.db2.gz XZJPNVJYGJAZSN-UHFFFAOYSA-N 1 0 395.305 2.075 20 0 GEADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928102593 654631356 /nfs/dbraw/zinc/63/13/56/654631356.db2.gz NIAWPJRFDAZNPI-MAZHCROVSA-N 1 0 381.929 2.154 20 0 GEADRO CO[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)s1 ZINC000908539988 654633347 /nfs/dbraw/zinc/63/33/47/654633347.db2.gz DFJNLVDJHQALNW-FZMZJTMJSA-N 1 0 391.331 2.161 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2[nH]nc(C(C)C)c2Br)CC1 ZINC000908591687 654634641 /nfs/dbraw/zinc/63/46/41/654634641.db2.gz BKXDYNGVXRCIMK-UHFFFAOYSA-N 1 0 387.322 2.261 20 0 GEADRO Cc1sc(Br)nc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908603250 654635370 /nfs/dbraw/zinc/63/53/70/654635370.db2.gz XUOGLJYCPZXKRY-UHFFFAOYSA-N 1 0 376.320 2.179 20 0 GEADRO Cc1nc(Br)sc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908605909 654635683 /nfs/dbraw/zinc/63/56/83/654635683.db2.gz BQIQQJOQXDZCGV-UHFFFAOYSA-N 1 0 376.320 2.179 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)C(=O)c2ccc(Br)s2)CC1 ZINC000908607523 654635700 /nfs/dbraw/zinc/63/57/00/654635700.db2.gz 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GEADRO Cc1cccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1Br ZINC000931175742 654731957 /nfs/dbraw/zinc/73/19/57/654731957.db2.gz BPKWKMIKFOXVSI-UHFFFAOYSA-N 1 0 378.274 2.285 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CCCc3cc(C[NH3+])ccc32)cc1=O ZINC000911790906 654732199 /nfs/dbraw/zinc/73/21/99/654732199.db2.gz VMAYRIXLTVJVTH-UHFFFAOYSA-N 1 0 376.254 2.200 20 0 GEADRO Cc1c(Br)cc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c(=O)n1C ZINC000911809363 654732667 /nfs/dbraw/zinc/73/26/67/654732667.db2.gz GGYKWXUVHJSAKX-UHFFFAOYSA-N 1 0 376.254 2.354 20 0 GEADRO Cc1cc(I)ccc1NC(=O)c1ccn(CCC[NH3+])n1 ZINC000911919698 654736165 /nfs/dbraw/zinc/73/61/65/654736165.db2.gz PNVYEBNFBPWPJN-UHFFFAOYSA-N 1 0 384.221 2.397 20 0 GEADRO C[NH+]1C[C@]2(C)CN(Cc3cc(=O)n4cc(Br)ccc4n3)C[C@@]2(C)C1 ZINC000931309634 654737677 /nfs/dbraw/zinc/73/76/77/654737677.db2.gz FCWSXZLPEHICJQ-QZTJIDSGSA-N 1 0 391.313 2.231 20 0 GEADRO CN(Cc1cccc(Cl)c1)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912027585 654740011 /nfs/dbraw/zinc/74/00/11/654740011.db2.gz 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GEADRO NC(=O)c1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(C2CC2)n1 ZINC001164959047 722025177 /nfs/dbraw/zinc/02/51/77/722025177.db2.gz HPYWHLHFFOQIHX-UHFFFAOYSA-N 1 0 392.507 2.340 20 0 GEADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ncc5c(n4)CCCN5)CC3)C2)ccn1 ZINC001164963832 722055624 /nfs/dbraw/zinc/05/56/24/722055624.db2.gz MZBOJVZWZYRDBV-UHFFFAOYSA-N 1 0 394.523 2.349 20 0 GEADRO C[NH+](C)Cc1ccnc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)c1 ZINC001164973930 722090791 /nfs/dbraw/zinc/09/07/91/722090791.db2.gz LNATWEOCZSWTJT-AEFFLSMTSA-N 1 0 386.521 2.143 20 0 GEADRO Cn1cnc2c1ccnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980008 722105405 /nfs/dbraw/zinc/10/54/05/722105405.db2.gz IRGHGBHDZIFEEY-MJGOQNOKSA-N 1 0 378.480 2.091 20 0 GEADRO COC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164982709 722107710 /nfs/dbraw/zinc/10/77/10/722107710.db2.gz OBVJIWPRVRLMAB-QUCCMNQESA-N 1 0 396.491 2.299 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncc5cccnc5n4)CC[C@H]3C2)c1 ZINC001164982623 722121395 /nfs/dbraw/zinc/12/13/95/722121395.db2.gz XKHYZQUJWQJFMY-OALUTQOASA-N 1 0 376.464 2.147 20 0 GEADRO COC(=O)c1cc(C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972499 722126978 /nfs/dbraw/zinc/12/69/78/722126978.db2.gz FTACQFKFQASKMD-AZUAARDMSA-N 1 0 396.491 2.299 20 0 GEADRO Cc1nc(CN2CCO[C@H]3CCN(c4ncc(C)cc4C[NH3+])CC[C@H]32)cs1 ZINC001164992798 722184475 /nfs/dbraw/zinc/18/44/75/722184475.db2.gz UJQQWXIRBZOGLX-MOPGFXCFSA-N 1 0 387.553 2.483 20 0 GEADRO COCCO[C@H]1CCN(c2ncccc2C[NH+]2CCCC2)[C@H]1Cc1cnn(C)c1 ZINC001164999730 722225402 /nfs/dbraw/zinc/22/54/02/722225402.db2.gz OSFZMDPJUJCNTD-SFTDATJTSA-N 1 0 399.539 2.264 20 0 GEADRO COc1ccc(Cl)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165002893 722253875 /nfs/dbraw/zinc/25/38/75/722253875.db2.gz WJVUSRUNMISREW-UHFFFAOYSA-N 1 0 379.892 2.429 20 0 GEADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(C[NH+](C)C)ccn1)C2 ZINC001165006865 722269367 /nfs/dbraw/zinc/26/93/67/722269367.db2.gz RUALZOVFKJDVQX-JOCHJYFZSA-N 1 0 397.498 2.210 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000524151065 531273808 /nfs/dbraw/zinc/27/38/08/531273808.db2.gz OAMJMHINJGGWLP-UHFFFAOYSA-N 1 0 380.543 2.416 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000528692292 531373412 /nfs/dbraw/zinc/37/34/12/531373412.db2.gz VTXGGKYNMZGIBZ-SECBINFHSA-N 1 0 398.286 2.078 20 0 GEADRO CN(CC(=O)NC[C@H]([NH3+])c1ccccc1)C(=O)c1ccc(Br)s1 ZINC000152069570 531530737 /nfs/dbraw/zinc/53/07/37/531530737.db2.gz AMXUEYNXCDASMS-LBPRGKRZSA-N 1 0 396.310 2.399 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000152460375 531551127 /nfs/dbraw/zinc/55/11/27/531551127.db2.gz YUVMFDKBEALDEM-UHFFFAOYSA-N 1 0 382.555 2.485 20 0 GEADRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000152616291 531562857 /nfs/dbraw/zinc/56/28/57/531562857.db2.gz INQJTLSUNFRMRF-FZMZJTMJSA-N 1 0 388.249 2.465 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000152905921 531577097 /nfs/dbraw/zinc/57/70/97/531577097.db2.gz YZDSEQAJZXQDIZ-HIFRSBDPSA-N 1 0 386.901 2.231 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000152994492 531581738 /nfs/dbraw/zinc/58/17/38/531581738.db2.gz NUUAGEHKHSXGGO-OAHLLOKOSA-N 1 0 395.301 2.395 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C[C@H](O)c3ccccc3Br)C2)CC1 ZINC000153144135 531592447 /nfs/dbraw/zinc/59/24/47/531592447.db2.gz GXJHDZVFXNEIIP-QAPCUYQASA-N 1 0 382.346 2.194 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153273865 531593910 /nfs/dbraw/zinc/59/39/10/531593910.db2.gz LDTZYLCSIHLAIK-MEBBXXQBSA-N 1 0 393.709 2.299 20 0 GEADRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000153259396 531594193 /nfs/dbraw/zinc/59/41/93/531594193.db2.gz ZLYKMIAICDAKPX-LLVKDONJSA-N 1 0 399.866 2.273 20 0 GEADRO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000024374011 531603248 /nfs/dbraw/zinc/60/32/48/531603248.db2.gz CFHZELGZOMEDCK-JTQLQIEISA-N 1 0 381.782 2.427 20 0 GEADRO COc1cc(C[N@H+](CCO)C2CC2)cc(I)c1OC ZINC000153622768 531605628 /nfs/dbraw/zinc/60/56/28/531605628.db2.gz LGHXAZRKWOQKGT-UHFFFAOYSA-N 1 0 377.222 2.265 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cncc(Br)c1)C[NH+]1CCCCC1 ZINC000153922435 531612870 /nfs/dbraw/zinc/61/28/70/531612870.db2.gz DMMYNBKUSXHKLD-LBPRGKRZSA-N 1 0 383.290 2.021 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000025136064 531613657 /nfs/dbraw/zinc/61/36/57/531613657.db2.gz LLQAFZYHALNYOQ-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO Cn1cnnc1Sc1ccc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000154083285 531621558 /nfs/dbraw/zinc/62/15/58/531621558.db2.gz KANSTZHNSUYSLO-GFCCVEGCSA-N 1 0 381.889 2.327 20 0 GEADRO [NH3+]CC1(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCCC1 ZINC000154384010 531622552 /nfs/dbraw/zinc/62/25/52/531622552.db2.gz HVVSDVMPMLOZTQ-LBPRGKRZSA-N 1 0 380.286 2.190 20 0 GEADRO COc1cc(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc(Br)c1OC ZINC000154783222 531634130 /nfs/dbraw/zinc/63/41/30/531634130.db2.gz ZWKYHWKQYVTSMH-PKIAMQTDSA-N 1 0 383.286 2.456 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)n3)nc2)CC1 ZINC000154965362 531646288 /nfs/dbraw/zinc/64/62/88/531646288.db2.gz WJPIRHISFZZAOB-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000154815909 531635388 /nfs/dbraw/zinc/63/53/88/531635388.db2.gz QFUFUBLCUMAYAG-UHFFFAOYSA-N 1 0 396.207 2.426 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000154822585 531635570 /nfs/dbraw/zinc/63/55/70/531635570.db2.gz DKISDSXAAXBXGA-AWEZNQCLSA-N 1 0 395.345 2.373 20 0 GEADRO C[C@@H](CC(=O)NCCNC(=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000154868528 531637060 /nfs/dbraw/zinc/63/70/60/531637060.db2.gz MIQBBEYNJIOGER-ZDUSSCGKSA-N 1 0 396.329 2.321 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCC1)c1cccc2nsnc21 ZINC000030432014 531637315 /nfs/dbraw/zinc/63/73/15/531637315.db2.gz GDEBUWUKVWXLNI-UHFFFAOYSA-N 1 0 398.579 2.331 20 0 GEADRO COc1ccc(Br)c(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000042577785 531669096 /nfs/dbraw/zinc/66/90/96/531669096.db2.gz ZCRAAMXFNYIWIB-KRWDZBQOSA-N 1 0 398.345 2.460 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000155063795 531654038 /nfs/dbraw/zinc/65/40/38/531654038.db2.gz SFMPITKSYLMEGF-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1ccc(Br)s1 ZINC000036297974 531658860 /nfs/dbraw/zinc/65/88/60/531658860.db2.gz XSAJIZDVZUCILE-UHFFFAOYSA-N 1 0 390.328 2.364 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000040599137 531661986 /nfs/dbraw/zinc/66/19/86/531661986.db2.gz INKWUHYHFXLFDO-LBPRGKRZSA-N 1 0 387.265 2.161 20 0 GEADRO O=C(CCC1CC[NH2+]CC1)NCCCNC(=O)c1cccc(Br)c1 ZINC000155324008 531674615 /nfs/dbraw/zinc/67/46/15/531674615.db2.gz KPTUAVUJRIJPGP-UHFFFAOYSA-N 1 0 396.329 2.465 20 0 GEADRO C[C@@H](NC(=O)c1cc(Cn2cc(Br)cn2)on1)C(C)(C)C[NH+](C)C ZINC000155342215 531676000 /nfs/dbraw/zinc/67/60/00/531676000.db2.gz IBENYAOKDDYZFM-LLVKDONJSA-N 1 0 398.305 2.388 20 0 GEADRO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000155407148 531682958 /nfs/dbraw/zinc/68/29/58/531682958.db2.gz CHNFQKAQXYHNAF-LSDHHAIUSA-N 1 0 383.945 2.481 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000155540500 531688731 /nfs/dbraw/zinc/68/87/31/531688731.db2.gz NAEGRGAUPDYJLN-NXEZZACHSA-N 1 0 376.320 2.119 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000618543606 531688904 /nfs/dbraw/zinc/68/89/04/531688904.db2.gz DHEYOLRRFGOBAS-UHFFFAOYSA-N 1 0 380.543 2.414 20 0 GEADRO [NH3+]C[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)C1CCCCC1 ZINC000155635875 531694169 /nfs/dbraw/zinc/69/41/69/531694169.db2.gz KFMDGBXFWZMVFC-HNNXBMFYSA-N 1 0 382.302 2.203 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000048285313 531727657 /nfs/dbraw/zinc/72/76/57/531727657.db2.gz VWEPGMGCOAFPLD-CQSZACIVSA-N 1 0 385.302 2.445 20 0 GEADRO O=C(COc1ccc(Br)cc1F)NCCCC[NH+]1CCOCC1 ZINC000048284713 531728221 /nfs/dbraw/zinc/72/82/21/531728221.db2.gz SZACLGMDKIGZRJ-UHFFFAOYSA-N 1 0 389.265 2.196 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000156096975 531715325 /nfs/dbraw/zinc/71/53/25/531715325.db2.gz JHZLUIPWYBYVOY-ZDUSSCGKSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000156208031 531720574 /nfs/dbraw/zinc/72/05/74/531720574.db2.gz DPCAEBYCPYXMJN-HZSPNIEDSA-N 1 0 394.313 2.388 20 0 GEADRO CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000047893705 531721261 /nfs/dbraw/zinc/72/12/61/531721261.db2.gz VDZJVNQLAJHINX-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cccs1 ZINC000047872404 531721756 /nfs/dbraw/zinc/72/17/56/531721756.db2.gz AGUSISOURPCCRZ-GFCCVEGCSA-N 1 0 387.914 2.082 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2ccccc2I)CC1 ZINC000049142895 531734640 /nfs/dbraw/zinc/73/46/40/531734640.db2.gz OOOFVLPWGIGLRR-UHFFFAOYSA-N 1 0 388.249 2.132 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000157386239 531739612 /nfs/dbraw/zinc/73/96/12/531739612.db2.gz NCMXNFLBXIUJAG-GFCCVEGCSA-N 1 0 382.507 2.308 20 0 GEADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000157361666 531740639 /nfs/dbraw/zinc/74/06/39/531740639.db2.gz ZKXKSCLBJLGXPE-HNNXBMFYSA-N 1 0 391.331 2.346 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccsc1 ZINC000049195312 531733267 /nfs/dbraw/zinc/73/32/67/531733267.db2.gz UHCCFYGOFJHVJB-MRXNPFEDSA-N 1 0 381.523 2.254 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000053212822 531755417 /nfs/dbraw/zinc/75/54/17/531755417.db2.gz HEGYOHAGTMFPHO-MRXNPFEDSA-N 1 0 394.313 2.404 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000157857797 531758111 /nfs/dbraw/zinc/75/81/11/531758111.db2.gz KUBCUJCNRHMTQF-UHFFFAOYSA-N 1 0 376.320 2.138 20 0 GEADRO O=C(CN1CC[NH+](CC2CC2)CC1)Nc1cccc(I)c1 ZINC000053237076 531759111 /nfs/dbraw/zinc/75/91/11/531759111.db2.gz WRPUAFHHSSROTG-UHFFFAOYSA-N 1 0 399.276 2.257 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000053404326 531762700 /nfs/dbraw/zinc/76/27/00/531762700.db2.gz ARROCQWNOCMBSH-CQSZACIVSA-N 1 0 387.571 2.043 20 0 GEADRO Cc1cnn(CC(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)c1 ZINC000055018314 531782039 /nfs/dbraw/zinc/78/20/39/531782039.db2.gz RDJPCASNGTYBFS-UHFFFAOYSA-N 1 0 392.301 2.345 20 0 GEADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158183911 531768988 /nfs/dbraw/zinc/76/89/88/531768988.db2.gz SQRRWCDKPFFOMN-KRWDZBQOSA-N 1 0 376.254 2.116 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000158227062 531772214 /nfs/dbraw/zinc/77/22/14/531772214.db2.gz DCSYHDZLYGCTON-CQSZACIVSA-N 1 0 395.294 2.095 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158358640 531774657 /nfs/dbraw/zinc/77/46/57/531774657.db2.gz GBJSUOWHDDSYFA-YJBOKZPZSA-N 1 0 379.913 2.067 20 0 GEADRO C[NH+]1CCN(c2cc(CNS(=O)(=O)c3ccc(Cl)s3)ccn2)CC1 ZINC000056070343 531804072 /nfs/dbraw/zinc/80/40/72/531804072.db2.gz GXFKSJLPTIHGCN-UHFFFAOYSA-N 1 0 386.930 2.027 20 0 GEADRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000056093686 531804584 /nfs/dbraw/zinc/80/45/84/531804584.db2.gz DQNBQHAJJLTMIT-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000056158259 531808779 /nfs/dbraw/zinc/80/87/79/531808779.db2.gz GIKGZNPZDRHZIV-CQSZACIVSA-N 1 0 387.571 2.186 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc[n+]1[O-] ZINC000056997045 531817656 /nfs/dbraw/zinc/81/76/56/531817656.db2.gz YHYODWBWHXMUDN-UHFFFAOYSA-N 1 0 378.270 2.287 20 0 GEADRO CC[NH+](CC)CCCNC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000057365628 531819224 /nfs/dbraw/zinc/81/92/24/531819224.db2.gz NRVVWZLHVMYDSQ-UHFFFAOYSA-N 1 0 399.333 2.210 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000162861690 531850899 /nfs/dbraw/zinc/85/08/99/531850899.db2.gz AIIVGIDUCZQVFY-JTQLQIEISA-N 1 0 395.294 2.239 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061655682 531855610 /nfs/dbraw/zinc/85/56/10/531855610.db2.gz IEWUUXJRIJCQKO-GFCCVEGCSA-N 1 0 377.304 2.172 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)cc1Cl ZINC000164087611 531867818 /nfs/dbraw/zinc/86/78/18/531867818.db2.gz URKZXPIZKBDCJZ-UHFFFAOYSA-N 1 0 388.295 2.467 20 0 GEADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000063778445 531861255 /nfs/dbraw/zinc/86/12/55/531861255.db2.gz OVMUEWRMKKYYDG-UHFFFAOYSA-N 1 0 387.571 2.139 20 0 GEADRO CC(C)C[N@@H+](CC(N)=O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064140712 531862949 /nfs/dbraw/zinc/86/29/49/531862949.db2.gz DENWVPMPADLUPJ-LBPRGKRZSA-N 1 0 393.709 2.286 20 0 GEADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000165282101 531871948 /nfs/dbraw/zinc/87/19/48/531871948.db2.gz DUAVQTQKFAIMDP-UHFFFAOYSA-N 1 0 392.363 2.476 20 0 GEADRO CC(=O)NCCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000165217255 531871978 /nfs/dbraw/zinc/87/19/78/531871978.db2.gz GFGAZFXOGUFTFB-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)s1 ZINC000064954662 531873551 /nfs/dbraw/zinc/87/35/51/531873551.db2.gz IZGPXSHVMXRHKF-UHFFFAOYSA-N 1 0 387.571 2.125 20 0 GEADRO C[NH+](C)C1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000066395773 531874172 /nfs/dbraw/zinc/87/41/72/531874172.db2.gz AQWCNRGUYANZRK-MRXNPFEDSA-N 1 0 381.929 2.408 20 0 GEADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000066395772 531874488 /nfs/dbraw/zinc/87/44/88/531874488.db2.gz AQWCNRGUYANZRK-INIZCTEOSA-N 1 0 381.929 2.408 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[NH+](CC(C)C)CC2)C(F)(F)F)n1 ZINC000067294399 531881666 /nfs/dbraw/zinc/88/16/66/531881666.db2.gz GQUDIIIAMIJFGI-OAHLLOKOSA-N 1 0 379.448 2.392 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000170918077 531894168 /nfs/dbraw/zinc/89/41/68/531894168.db2.gz JQCUWWMWJPPRKG-MRXNPFEDSA-N 1 0 381.929 2.457 20 0 GEADRO NS(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000170914852 531894751 /nfs/dbraw/zinc/89/47/51/531894751.db2.gz IZDCYWOYYJRPFH-CYBMUJFWSA-N 1 0 384.889 2.248 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000068079605 531896027 /nfs/dbraw/zinc/89/60/27/531896027.db2.gz CNIRJDXAVSCTOH-SNVBAGLBSA-N 1 0 388.331 2.182 20 0 GEADRO C[NH+](C)C1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000068079640 531896209 /nfs/dbraw/zinc/89/62/09/531896209.db2.gz QSZXAZWFLXZLNI-CQSZACIVSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000068594470 531905021 /nfs/dbraw/zinc/90/50/21/531905021.db2.gz KVYFYPIEJQKPQI-CYBMUJFWSA-N 1 0 384.322 2.016 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000068974628 531906873 /nfs/dbraw/zinc/90/68/73/531906873.db2.gz UOGIAHUIWQVXEL-ZDUSSCGKSA-N 1 0 382.302 2.025 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCc1ccc(Br)c(F)c1 ZINC000171668648 531910032 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CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000115867310 531958455 /nfs/dbraw/zinc/95/84/55/531958455.db2.gz MRIYIYIMNUZGGL-RUZDIDTESA-N 1 0 387.933 2.005 20 0 GEADRO COC(=O)[C@H](C)C[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000114063437 531953813 /nfs/dbraw/zinc/95/38/13/531953813.db2.gz HAEHFIQAJNJKGR-SNVBAGLBSA-N 1 0 377.304 2.210 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000172476832 531955141 /nfs/dbraw/zinc/95/51/41/531955141.db2.gz IKHFIFCIUHEVKT-CQSZACIVSA-N 1 0 395.345 2.153 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000119429957 531967278 /nfs/dbraw/zinc/96/72/78/531967278.db2.gz LRMPVZOQLPIMBM-RISCZKNCSA-N 1 0 398.301 2.195 20 0 GEADRO Brc1cc(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000172940364 531975237 /nfs/dbraw/zinc/97/52/37/531975237.db2.gz MDRLQGYGKMTQIY-CYBMUJFWSA-N 1 0 383.286 2.332 20 0 GEADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1c[nH]c(=O)c(Br)c1 ZINC000172948724 531975670 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C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000173245942 531996993 /nfs/dbraw/zinc/99/69/93/531996993.db2.gz JXRVHJYMFOCCEE-WBMJQRKESA-N 1 0 377.913 2.428 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000173430089 532011269 /nfs/dbraw/zinc/01/12/69/532011269.db2.gz HBMFJIBZYPXMQK-UHFFFAOYSA-N 1 0 399.738 2.349 20 0 GEADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NCCC[NH2+]C ZINC000121067422 532010737 /nfs/dbraw/zinc/01/07/37/532010737.db2.gz WPFGVXVJRZWFKM-OAHLLOKOSA-N 1 0 399.333 2.143 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1Br ZINC000121076283 532011018 /nfs/dbraw/zinc/01/10/18/532011018.db2.gz CCZWNURJRDMJDK-CYBMUJFWSA-N 1 0 378.270 2.169 20 0 GEADRO C[NH+](C)CCOc1ccc(CNC(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000173474799 532014539 /nfs/dbraw/zinc/01/45/39/532014539.db2.gz GOWDVXFNBUUIGO-UHFFFAOYSA-N 1 0 394.269 2.008 20 0 GEADRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000121186091 532016447 /nfs/dbraw/zinc/01/64/47/532016447.db2.gz CEPSQHDUVHADQY-CYBMUJFWSA-N 1 0 377.304 2.192 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc(Br)ccc1OC ZINC000173541382 532018488 /nfs/dbraw/zinc/01/84/88/532018488.db2.gz OTBFULMOSPLWOM-HNNXBMFYSA-N 1 0 385.302 2.227 20 0 GEADRO C[N@H+](CCOc1ccccc1C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000121311668 532021641 /nfs/dbraw/zinc/02/16/41/532021641.db2.gz ALQGVXGKAVFVDW-UHFFFAOYSA-N 1 0 380.432 2.440 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000173854660 532038628 /nfs/dbraw/zinc/03/86/28/532038628.db2.gz IWFPRIANNPQYJV-CYBMUJFWSA-N 1 0 397.317 2.103 20 0 GEADRO C[N@H+](Cc1ccc(Br)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000121668085 532040423 /nfs/dbraw/zinc/04/04/23/532040423.db2.gz ZDGWVSZTUOCFEN-UHFFFAOYSA-N 1 0 379.295 2.444 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)NCCOc2ccc(Br)cc2)n1 ZINC000173914198 532041989 /nfs/dbraw/zinc/04/19/89/532041989.db2.gz XUQWXESXJYWXHA-UHFFFAOYSA-N 1 0 396.289 2.408 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000121719028 532043181 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Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Br)n1 ZINC000122375684 532066866 /nfs/dbraw/zinc/06/68/66/532066866.db2.gz OYAFNZJYPSMMSB-GXTWGEPZSA-N 1 0 395.301 2.034 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000122325660 532065983 /nfs/dbraw/zinc/06/59/83/532065983.db2.gz IBBHULNHIJWAKR-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000174516451 532068092 /nfs/dbraw/zinc/06/80/92/532068092.db2.gz YCBWZGILTHCJPL-CYBMUJFWSA-N 1 0 387.933 2.004 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)COc2ccc(Br)cc2)CC1 ZINC000122432217 532070589 /nfs/dbraw/zinc/07/05/89/532070589.db2.gz HOOPOSMKICYHTM-HNNXBMFYSA-N 1 0 398.345 2.218 20 0 GEADRO COC1CC[NH+](CCNC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000122572962 532075113 /nfs/dbraw/zinc/07/51/13/532075113.db2.gz MGRMMJCCCCYSFE-HNNXBMFYSA-N 1 0 383.286 2.152 20 0 GEADRO COCCCS(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000122526986 532074184 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COc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)cc1Br ZINC000178666907 532209211 /nfs/dbraw/zinc/20/92/11/532209211.db2.gz ZTHVOQCBLURENJ-ZDUSSCGKSA-N 1 0 384.318 2.272 20 0 GEADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178669348 532209275 /nfs/dbraw/zinc/20/92/75/532209275.db2.gz SMMLXIDMMKSXED-ABAIWWIYSA-N 1 0 380.286 2.226 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000178691967 532210250 /nfs/dbraw/zinc/21/02/50/532210250.db2.gz MUIXOULNPLYWNH-ZIAGYGMSSA-N 1 0 396.329 2.463 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000178753552 532212372 /nfs/dbraw/zinc/21/23/72/532212372.db2.gz BKSFIFWGGHIYHU-GFCCVEGCSA-N 1 0 378.889 2.227 20 0 GEADRO O=C(CCCOc1ccc(I)cc1)NC[C@H]1CCC[NH2+]1 ZINC000178779772 532213173 /nfs/dbraw/zinc/21/31/73/532213173.db2.gz WFMZQCZLWMKPLP-CYBMUJFWSA-N 1 0 388.249 2.318 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000132369282 532213853 /nfs/dbraw/zinc/21/38/53/532213853.db2.gz OPDFXEFTGSUSGD-ZDUSSCGKSA-N 1 0 385.917 2.078 20 0 GEADRO O=C(C[NH2+]CC1CC1)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000178842737 532214372 /nfs/dbraw/zinc/21/43/72/532214372.db2.gz AYBLMKJUDWBXOA-GFCCVEGCSA-N 1 0 376.810 2.448 20 0 GEADRO Cc1ncsc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000132481455 532215857 /nfs/dbraw/zinc/21/58/57/532215857.db2.gz NJZUDSKUPGMYNU-CYBMUJFWSA-N 1 0 381.523 2.323 20 0 GEADRO CCCN(C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CC[NH2+]C1 ZINC000178897819 532216445 /nfs/dbraw/zinc/21/64/45/532216445.db2.gz DDMNNVLTJZLHFE-JKSUJKDBSA-N 1 0 394.313 2.403 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCC[N@@H+](C)C(C)C ZINC000132600188 532218627 /nfs/dbraw/zinc/21/86/27/532218627.db2.gz SVHMFRAQBFFQFK-UHFFFAOYSA-N 1 0 391.331 2.231 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC[C@H]2CC[NH2+]C2)ccc1Cl ZINC000178958186 532218584 /nfs/dbraw/zinc/21/85/84/532218584.db2.gz QQZXPRIEEONBIS-CYBMUJFWSA-N 1 0 387.933 2.100 20 0 GEADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000178513499 532204569 /nfs/dbraw/zinc/20/45/69/532204569.db2.gz LVMMLXANBNASCH-GFCCVEGCSA-N 1 0 398.301 2.279 20 0 GEADRO COc1cc(Br)c(NC(=O)C[C@H]2CSCC[NH2+]2)cc1OC ZINC000132618867 532218879 /nfs/dbraw/zinc/21/88/79/532218879.db2.gz WZBKZKHDVBUPCK-VIFPVBQESA-N 1 0 375.288 2.500 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000133350213 532232085 /nfs/dbraw/zinc/23/20/85/532232085.db2.gz UBTWLLBAPADGHE-UHFFFAOYSA-N 1 0 384.318 2.191 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000133359419 532232349 /nfs/dbraw/zinc/23/23/49/532232349.db2.gz PBCKXXJXELYDIG-IAGOWNOFSA-N 1 0 380.330 2.306 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179521292 532233897 /nfs/dbraw/zinc/23/38/97/532233897.db2.gz GEKDROPAYRNXLR-LLVKDONJSA-N 1 0 391.331 2.313 20 0 GEADRO C[C@@H](CC[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)[S@](C)=O ZINC000133420312 532234586 /nfs/dbraw/zinc/23/45/86/532234586.db2.gz NYSFWIIYSNKNBP-ODCWNRFASA-N 1 0 388.961 2.298 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)C1 ZINC000178972879 532219737 /nfs/dbraw/zinc/21/97/37/532219737.db2.gz WZRFCLQVQPCXLA-CYBMUJFWSA-N 1 0 387.933 2.050 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)C1 ZINC000179021286 532220396 /nfs/dbraw/zinc/22/03/96/532220396.db2.gz USTLLVFCOROVGG-BBRMVZONSA-N 1 0 383.945 2.259 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000179000687 532220433 /nfs/dbraw/zinc/22/04/33/532220433.db2.gz UUNMIPXNTDKUKN-XJKSGUPXSA-N 1 0 394.313 2.122 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)cc1Cl ZINC000179124419 532222775 /nfs/dbraw/zinc/22/27/75/532222775.db2.gz UANMETUTOWSYIE-UHFFFAOYSA-N 1 0 388.295 2.467 20 0 GEADRO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000179140569 532223273 /nfs/dbraw/zinc/22/32/73/532223273.db2.gz KLISOLFURKAJBC-CQSZACIVSA-N 1 0 383.286 2.435 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000179757409 532242970 /nfs/dbraw/zinc/24/29/70/532242970.db2.gz PFPOXTKIUYFKTA-CYBMUJFWSA-N 1 0 395.301 2.260 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(Br)n1 ZINC000179761961 532243252 /nfs/dbraw/zinc/24/32/52/532243252.db2.gz SMMIWOOBMHEBAZ-CYBMUJFWSA-N 1 0 395.301 2.035 20 0 GEADRO COc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)sc1Br ZINC000133834170 532243324 /nfs/dbraw/zinc/24/33/24/532243324.db2.gz ASMIQOKOYKHKGG-LLVKDONJSA-N 1 0 391.331 2.486 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)C1 ZINC000179805621 532245023 /nfs/dbraw/zinc/24/50/23/532245023.db2.gz WNZHTEVEMTWMDG-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000133946188 532246462 /nfs/dbraw/zinc/24/64/62/532246462.db2.gz MNUDKFATUOWDHW-CYBMUJFWSA-N 1 0 382.302 2.496 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)n1 ZINC000179852074 532247152 /nfs/dbraw/zinc/24/71/52/532247152.db2.gz WRHLGLSXLPCBJB-VXGBXAGGSA-N 1 0 383.290 2.080 20 0 GEADRO O[C@@H](Cn1cccn1)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179552734 532236115 /nfs/dbraw/zinc/23/61/15/532236115.db2.gz FDZDSXWBPYWCDP-MRXNPFEDSA-N 1 0 383.323 2.411 20 0 GEADRO O=S(=O)(NCC[NH2+]C1CCCCCC1)c1cncc(Br)c1 ZINC000133534556 532237930 /nfs/dbraw/zinc/23/79/30/532237930.db2.gz IAUTZLGGJJVKMP-UHFFFAOYSA-N 1 0 376.320 2.435 20 0 GEADRO CC(C)([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000179607084 532238551 /nfs/dbraw/zinc/23/85/51/532238551.db2.gz OCJWJTYFOWTERW-UHFFFAOYSA-N 1 0 381.885 2.451 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](Oc3ccc(Cl)cn3)C2)C1 ZINC000135334000 532271421 /nfs/dbraw/zinc/27/14/21/532271421.db2.gz NSMSOTCGXWXPIG-HOCLYGCPSA-N 1 0 387.933 2.250 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(Br)cc(Br)c1 ZINC000180464847 532271621 /nfs/dbraw/zinc/27/16/21/532271621.db2.gz FOQMHWKHEASJPR-CYBMUJFWSA-N 1 0 394.107 2.254 20 0 GEADRO Ic1cnc(N2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000134502814 532257082 /nfs/dbraw/zinc/25/70/82/532257082.db2.gz RZURUSYJHOZISG-UHFFFAOYSA-N 1 0 380.233 2.403 20 0 GEADRO Cc1nc(S(=O)(=O)[N-][C@H]2C[C@@H](C)N(C3CC3)C2)sc1Br ZINC000180107382 532258048 /nfs/dbraw/zinc/25/80/48/532258048.db2.gz DQLKSKXTLOGJNN-APPZFPTMSA-N 1 0 380.333 2.118 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000134593419 532258268 /nfs/dbraw/zinc/25/82/68/532258268.db2.gz HACDMCPSDYQLPY-GFCCVEGCSA-N 1 0 380.290 2.490 20 0 GEADRO C[C@@H](CCS(C)(=O)=O)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000134708086 532261592 /nfs/dbraw/zinc/26/15/92/532261592.db2.gz GESFGYIIGQXKLP-AWEZNQCLSA-N 1 0 387.571 2.083 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCCOc2ncc(Cl)cc2Cl)CCOCC1 ZINC000134768487 532262887 /nfs/dbraw/zinc/26/28/87/532262887.db2.gz XEOHLKJFMPEPGC-UHFFFAOYSA-N 1 0 391.299 2.177 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000180474136 532272269 /nfs/dbraw/zinc/27/22/69/532272269.db2.gz NCJBUDVPIRCHMR-LLVKDONJSA-N 1 0 396.294 2.270 20 0 GEADRO CS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1Br ZINC000180337636 532267918 /nfs/dbraw/zinc/26/79/18/532267918.db2.gz YIFNMCYZITXBGF-UHFFFAOYSA-N 1 0 389.315 2.068 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccncc2I)C1 ZINC000135552557 532276187 /nfs/dbraw/zinc/27/61/87/532276187.db2.gz QGVROFHYSGVKQS-BXUZGUMPSA-N 1 0 385.249 2.243 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCSc2ccc(F)cc21)NC[C@@H]1CCCCO1 ZINC000180749756 532279215 /nfs/dbraw/zinc/27/92/15/532279215.db2.gz MOQKOVFAFHNBRY-GOEBONIOSA-N 1 0 388.530 2.441 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(F)c(F)c(F)c1 ZINC000180748790 532279867 /nfs/dbraw/zinc/27/98/67/532279867.db2.gz GLFYMBOWBSIASU-YPMHNXCESA-N 1 0 380.432 2.243 20 0 GEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000180833806 532282471 /nfs/dbraw/zinc/28/24/71/532282471.db2.gz SGEMWFRMBKLVHK-CYBMUJFWSA-N 1 0 384.318 2.416 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)CS(=O)(=O)CC)cc1 ZINC000180821406 532282850 /nfs/dbraw/zinc/28/28/50/532282850.db2.gz BDTSXKHNEWVQGQ-CABCVRRESA-N 1 0 390.571 2.191 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000136133816 532283105 /nfs/dbraw/zinc/28/31/05/532283105.db2.gz ADTQKUQXWGGEMR-ZDUSSCGKSA-N 1 0 385.302 2.179 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000136324735 532284154 /nfs/dbraw/zinc/28/41/54/532284154.db2.gz RNOAAJHZDRSGNL-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO O=C(C[C@H]1CSCCS1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000180878553 532284334 /nfs/dbraw/zinc/28/43/34/532284334.db2.gz TVGATYBJAGJHJG-MSOLQXFVSA-N 1 0 380.579 2.498 20 0 GEADRO COC(=O)CNC(=O)CC[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180880019 532284468 /nfs/dbraw/zinc/28/44/68/532284468.db2.gz VWDGSNYEWZZNGP-UHFFFAOYSA-N 1 0 379.507 2.217 20 0 GEADRO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H](O)CN2CCOCC2)C3)cs1 ZINC000180882388 532285004 /nfs/dbraw/zinc/28/50/04/532285004.db2.gz FGPQMIWZMGSHDB-OAHLLOKOSA-N 1 0 379.551 2.231 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)c1ccc(Br)cc1 ZINC000136812313 532287261 /nfs/dbraw/zinc/28/72/61/532287261.db2.gz RWTPTSIPWBUSMB-CYBMUJFWSA-N 1 0 395.297 2.249 20 0 GEADRO O=C(COc1cccc(Br)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136895023 532287371 /nfs/dbraw/zinc/28/73/71/532287371.db2.gz AAFDBDLNYWSQRK-CQSZACIVSA-N 1 0 397.313 2.445 20 0 GEADRO O=C(NCCc1ccc(I)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137024126 532288735 /nfs/dbraw/zinc/28/87/35/532288735.db2.gz VIGSJUJFXDSFPE-NSHDSACASA-N 1 0 390.290 2.401 20 0 GEADRO Cc1cccc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1Cl ZINC000180507641 532273844 /nfs/dbraw/zinc/27/38/44/532273844.db2.gz WOCZWCUXMKRHMP-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000181432297 532298701 /nfs/dbraw/zinc/29/87/01/532298701.db2.gz YYDFOGPEKRPMJU-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000181526814 532300932 /nfs/dbraw/zinc/30/09/32/532300932.db2.gz HJRLIHXCZDZSLK-KOLCDFICSA-N 1 0 383.212 2.177 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000150877929 532303563 /nfs/dbraw/zinc/30/35/63/532303563.db2.gz CZVWYOJKZJTHLB-NSHDSACASA-N 1 0 386.411 2.480 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000181642596 532303633 /nfs/dbraw/zinc/30/36/33/532303633.db2.gz SFOYDIUQBLRNHS-GFCCVEGCSA-N 1 0 380.341 2.049 20 0 GEADRO O=C(Nc1ccccc1Br)C1CC[NH+](CC2(CO)COC2)CC1 ZINC000150958198 532304957 /nfs/dbraw/zinc/30/49/57/532304957.db2.gz HLJRICXLPZAMIN-UHFFFAOYSA-N 1 0 383.286 2.109 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)ccc1OC(F)F ZINC000181679723 532305203 /nfs/dbraw/zinc/30/52/03/532305203.db2.gz CKOGLEWHDWSFPN-NEPJUHHUSA-N 1 0 378.441 2.229 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)ccc1OC(F)F ZINC000181679745 532305456 /nfs/dbraw/zinc/30/54/56/532305456.db2.gz CKOGLEWHDWSFPN-NWDGAFQWSA-N 1 0 378.441 2.229 20 0 GEADRO CC1(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[NH2+]CC1 ZINC000183366762 532324224 /nfs/dbraw/zinc/32/42/24/532324224.db2.gz HZSYGZRVJHWUPV-UHFFFAOYSA-N 1 0 378.270 2.410 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCN2C(=O)NC(C)(C)C2=O)cc1Br ZINC000182066028 532309064 /nfs/dbraw/zinc/30/90/64/532309064.db2.gz LNPIMCHQOCZPIP-SNVBAGLBSA-N 1 0 384.274 2.439 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182190347 532310164 /nfs/dbraw/zinc/31/01/64/532310164.db2.gz IYXPDUWFORMVHQ-OAHLLOKOSA-N 1 0 381.314 2.481 20 0 GEADRO CN1C(=O)NC2(CC[NH+](CCCc3ccccc3Br)CC2)C1=O ZINC000182293922 532311600 /nfs/dbraw/zinc/31/16/00/532311600.db2.gz GMJOKJDUYLEXKV-UHFFFAOYSA-N 1 0 380.286 2.398 20 0 GEADRO CC[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)[C@H]1CCCO1 ZINC000182335332 532312179 /nfs/dbraw/zinc/31/21/79/532312179.db2.gz BMBURUOWEXIEIM-DZGCQCFKSA-N 1 0 398.301 2.051 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000182445001 532313333 /nfs/dbraw/zinc/31/33/33/532313333.db2.gz MQMVBZHKPWRFFL-ZENOOKHLSA-N 1 0 392.924 2.264 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000182624490 532315415 /nfs/dbraw/zinc/31/54/15/532315415.db2.gz NWIAYLCVNXWPRA-QWHCGFSZSA-N 1 0 375.332 2.298 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000182624420 532315757 /nfs/dbraw/zinc/31/57/57/532315757.db2.gz BLGQBAVUFTUXQS-DZGCQCFKSA-N 1 0 387.343 2.442 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000182651919 532316035 /nfs/dbraw/zinc/31/60/35/532316035.db2.gz UQOFMLHEMFYMLP-UHFFFAOYSA-N 1 0 388.898 2.256 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182955892 532319842 /nfs/dbraw/zinc/31/98/42/532319842.db2.gz FUTBHBDYKUBGKW-QGZVFWFLSA-N 1 0 398.345 2.233 20 0 GEADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC[N@@H+]1C ZINC000182961906 532320224 /nfs/dbraw/zinc/32/02/24/532320224.db2.gz ZKKVECNAGRPQAG-NWDGAFQWSA-N 1 0 381.420 2.126 20 0 GEADRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000183216860 532322332 /nfs/dbraw/zinc/32/23/32/532322332.db2.gz FDIQAHLUTMCROA-SNVBAGLBSA-N 1 0 378.441 2.114 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000183263344 532322696 /nfs/dbraw/zinc/32/26/96/532322696.db2.gz WGHLGVAOWMMUKZ-LBPRGKRZSA-N 1 0 391.331 2.499 20 0 GEADRO O=C(CC[N@@H+]1CCO[C@]2(CCOC2)C1)Nc1ccc(Br)cc1F ZINC000185182690 532337169 /nfs/dbraw/zinc/33/71/69/532337169.db2.gz FBAYJIXIZMQGGP-MRXNPFEDSA-N 1 0 387.249 2.408 20 0 GEADRO CN(C)c1ccncc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000185198210 532337172 /nfs/dbraw/zinc/33/71/72/532337172.db2.gz KKWWLBKCAOOPIQ-UHFFFAOYSA-N 1 0 377.286 2.430 20 0 GEADRO CC[NH+](CC)CC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185413052 532337804 /nfs/dbraw/zinc/33/78/04/532337804.db2.gz LTEGETINUOZSIN-HNNXBMFYSA-N 1 0 382.302 2.321 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000185778423 532338724 /nfs/dbraw/zinc/33/87/24/532338724.db2.gz RQBMDTSEBWPPDW-GFCCVEGCSA-N 1 0 377.304 2.172 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000185888497 532338987 /nfs/dbraw/zinc/33/89/87/532338987.db2.gz FFZGMLCEIPNWAB-UHFFFAOYSA-N 1 0 387.933 2.100 20 0 GEADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000185906889 532339095 /nfs/dbraw/zinc/33/90/95/532339095.db2.gz BXXQLIXJFJHAGM-KRWDZBQOSA-N 1 0 380.897 2.190 20 0 GEADRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186501274 532340974 /nfs/dbraw/zinc/34/09/74/532340974.db2.gz GTWCLVXBHMVQLW-GFCCVEGCSA-N 1 0 376.400 2.337 20 0 GEADRO Cc1cc(Br)cc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1N ZINC000186530552 532341087 /nfs/dbraw/zinc/34/10/87/532341087.db2.gz WAAMGUHFZWYYHF-UHFFFAOYSA-N 1 0 379.262 2.108 20 0 GEADRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000186789807 532341926 /nfs/dbraw/zinc/34/19/26/532341926.db2.gz RIEURHKPMJCRKI-YGRLFVJLSA-N 1 0 378.274 2.066 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000186894645 532342494 /nfs/dbraw/zinc/34/24/94/532342494.db2.gz KYWQQDMNXKJDSC-LLVKDONJSA-N 1 0 399.285 2.095 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000186939710 532342679 /nfs/dbraw/zinc/34/26/79/532342679.db2.gz VNIASKVPDMLVBB-NSHDSACASA-N 1 0 395.301 2.243 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH+]1CCC(C)(CO)CC1 ZINC000186962995 532342784 /nfs/dbraw/zinc/34/27/84/532342784.db2.gz JKJFBFRVFZUCKD-UHFFFAOYSA-N 1 0 399.329 2.381 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187116247 532343203 /nfs/dbraw/zinc/34/32/03/532343203.db2.gz KIIMZKGUSHWRRT-UHFFFAOYSA-N 1 0 391.331 2.361 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000183641636 532326882 /nfs/dbraw/zinc/32/68/82/532326882.db2.gz NLEHSEDLYDSYFH-SECBINFHSA-N 1 0 395.294 2.358 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(F)c(Br)cc1OC)C1CC1 ZINC000183632309 532327140 /nfs/dbraw/zinc/32/71/40/532327140.db2.gz CODUVJUUBCBWMK-UHFFFAOYSA-N 1 0 395.294 2.359 20 0 GEADRO CCN(CC1CC1)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000183845814 532329325 /nfs/dbraw/zinc/32/93/25/532329325.db2.gz DPIVRCXFMBMPRC-UHFFFAOYSA-N 1 0 375.485 2.305 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000184320105 532332013 /nfs/dbraw/zinc/33/20/13/532332013.db2.gz JUSFYJMAPFCJKR-XJKSGUPXSA-N 1 0 396.329 2.067 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000184646067 532334165 /nfs/dbraw/zinc/33/41/65/532334165.db2.gz VQPOGZLLGDGZNT-UHFFFAOYSA-N 1 0 398.301 2.257 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000187855602 532345860 /nfs/dbraw/zinc/34/58/60/532345860.db2.gz IHVLHFXPQMHUGE-NSHDSACASA-N 1 0 384.249 2.142 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000188083767 532346660 /nfs/dbraw/zinc/34/66/60/532346660.db2.gz FKNMZCGOYKQTFZ-UHFFFAOYSA-N 1 0 386.290 2.002 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c(C)nc1OC ZINC000188125101 532346809 /nfs/dbraw/zinc/34/68/09/532346809.db2.gz JBMMIXDDDDXJEB-LBPRGKRZSA-N 1 0 386.290 2.002 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)ccc1Br ZINC000188222617 532347421 /nfs/dbraw/zinc/34/74/21/532347421.db2.gz RWOZZOUKFLVVDE-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188226549 532347439 /nfs/dbraw/zinc/34/74/39/532347439.db2.gz WVWHHQCIOARKNF-UHFFFAOYSA-N 1 0 382.251 2.073 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000188321445 532347737 /nfs/dbraw/zinc/34/77/37/532347737.db2.gz HOYRLWDSHLVFQN-IUODEOHRSA-N 1 0 375.332 2.394 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000188321114 532347804 /nfs/dbraw/zinc/34/78/04/532347804.db2.gz CUHUNTIWUGPZBA-OCCSQVGLSA-N 1 0 375.332 2.251 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188584505 532348660 /nfs/dbraw/zinc/34/86/60/532348660.db2.gz JYFHHFKSMHIZKB-CYBMUJFWSA-N 1 0 384.318 2.436 20 0 GEADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3cccc(Br)n3)C2)CC1 ZINC000188581715 532348714 /nfs/dbraw/zinc/34/87/14/532348714.db2.gz KPMNHGWJNBNLJR-AWEZNQCLSA-N 1 0 396.333 2.478 20 0 GEADRO C[C@H]1CN(C(=O)COc2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188682761 532349087 /nfs/dbraw/zinc/34/90/87/532349087.db2.gz WJDNPFNUCZBDOW-ZDUSSCGKSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000188708893 532349122 /nfs/dbraw/zinc/34/91/22/532349122.db2.gz XRTYEMMKLNELEW-AWEZNQCLSA-N 1 0 395.345 2.153 20 0 GEADRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188741809 532349404 /nfs/dbraw/zinc/34/94/04/532349404.db2.gz KKSYWKKZYAPTNO-BLLLJJGKSA-N 1 0 389.359 2.488 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188736131 532349418 /nfs/dbraw/zinc/34/94/18/532349418.db2.gz LKJJFSMCXDAOMT-UHFFFAOYSA-N 1 0 388.265 2.099 20 0 GEADRO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[NH+]2CCC1CC2 ZINC000188833986 532349644 /nfs/dbraw/zinc/34/96/44/532349644.db2.gz YYKVUEOLMDRTBN-ZDUSSCGKSA-N 1 0 392.297 2.109 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000189277943 532351622 /nfs/dbraw/zinc/35/16/22/532351622.db2.gz BSVYKJIPPUKIHM-UHFFFAOYSA-N 1 0 384.318 2.369 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)CNC(=O)c1ccc(Br)s1 ZINC000189276444 532351657 /nfs/dbraw/zinc/35/16/57/532351657.db2.gz RQURQGWRPUDTAD-UHFFFAOYSA-N 1 0 390.347 2.431 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000189274515 532351702 /nfs/dbraw/zinc/35/17/02/532351702.db2.gz MTIDXGQWKQNXAM-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000189316202 532351722 /nfs/dbraw/zinc/35/17/22/532351722.db2.gz FNXBQHALJNGQLZ-CMPLNLGQSA-N 1 0 381.192 2.461 20 0 GEADRO Cc1cccc(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1Br ZINC000189421060 532352050 /nfs/dbraw/zinc/35/20/50/532352050.db2.gz MHONUESBALDAQX-CQSZACIVSA-N 1 0 383.334 2.193 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)Nc1ccccc1Br ZINC000189406555 532352112 /nfs/dbraw/zinc/35/21/12/532352112.db2.gz DYAITDLNTCFTCQ-ZDUSSCGKSA-N 1 0 384.318 2.165 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000189573430 532352925 /nfs/dbraw/zinc/35/29/25/532352925.db2.gz FXMSPXLOMWTNEM-UONOGXRCSA-N 1 0 384.318 2.083 20 0 GEADRO CS(=O)(=O)N1CC(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000189683600 532353244 /nfs/dbraw/zinc/35/32/44/532353244.db2.gz VRYDSEWELRCXKG-UHFFFAOYSA-N 1 0 399.257 2.032 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000189818266 532353812 /nfs/dbraw/zinc/35/38/12/532353812.db2.gz BRKNZYUJVYZSJG-UHFFFAOYSA-N 1 0 392.244 2.466 20 0 GEADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)C1(C)C ZINC000189963546 532354204 /nfs/dbraw/zinc/35/42/04/532354204.db2.gz UBIFCLXNUNNATR-RHSMWYFYSA-N 1 0 377.453 2.339 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190030508 532354561 /nfs/dbraw/zinc/35/45/61/532354561.db2.gz LPYDMVUUFUKHFC-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1c([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cnn1C(C)(C)C ZINC000191390786 532360793 /nfs/dbraw/zinc/36/07/93/532360793.db2.gz VDJFRBRPTSSCEU-JSGCOSHPSA-N 1 0 385.555 2.493 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC1CC(O)C1 ZINC000190210216 532355313 /nfs/dbraw/zinc/35/53/13/532355313.db2.gz BZDZDOMOHRFHOM-CDWSIMAYSA-N 1 0 388.249 2.321 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)[C@@H](C)N1CCOCC1 ZINC000190455238 532356180 /nfs/dbraw/zinc/35/61/80/532356180.db2.gz LEOGAJOOPUWANB-NXEZZACHSA-N 1 0 392.258 2.296 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000190684243 532357462 /nfs/dbraw/zinc/35/74/62/532357462.db2.gz UDSZHAFVQKPFMN-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[N@H+](C)C1CC1 ZINC000190837600 532358255 /nfs/dbraw/zinc/35/82/55/532358255.db2.gz PLRAMVJAHUQCTG-QMMMGPOBSA-N 1 0 390.228 2.265 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccc(Br)o2)CC1 ZINC000191024070 532359178 /nfs/dbraw/zinc/35/91/78/532359178.db2.gz QTTUCBSZDFOHEH-UHFFFAOYSA-N 1 0 387.246 2.396 20 0 GEADRO C[C@@H]1COCCN1CCN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000191430566 532360884 /nfs/dbraw/zinc/36/08/84/532360884.db2.gz ZXUUZAPIIXHGFH-CQSZACIVSA-N 1 0 386.323 2.472 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191200936 532359918 /nfs/dbraw/zinc/35/99/18/532359918.db2.gz JHZTZHPAWPLHLT-JTQLQIEISA-N 1 0 390.228 2.266 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000191199525 532359969 /nfs/dbraw/zinc/35/99/69/532359969.db2.gz RPMUEHSTLRBTMF-SECBINFHSA-N 1 0 390.228 2.076 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000191229753 532360045 /nfs/dbraw/zinc/36/00/45/532360045.db2.gz LRAVUFRCTCFUKA-JTQLQIEISA-N 1 0 390.228 2.218 20 0 GEADRO CC(C)[C@H](C)NC(=O)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304991 532360297 /nfs/dbraw/zinc/36/02/97/532360297.db2.gz NWLTYKYZXUGBCA-NSHDSACASA-N 1 0 379.452 2.230 20 0 GEADRO Cn1cc(C(=O)NCC2CCN(Cc3ccc(Br)o3)CC2)cn1 ZINC000191297634 532360374 /nfs/dbraw/zinc/36/03/74/532360374.db2.gz UFOVKNPJKHYJOC-UHFFFAOYSA-N 1 0 381.274 2.418 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187275860 532343974 /nfs/dbraw/zinc/34/39/74/532343974.db2.gz KEEQZBBQSMRSLG-LBPRGKRZSA-N 1 0 388.917 2.480 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000187371554 532344194 /nfs/dbraw/zinc/34/41/94/532344194.db2.gz UJOGMVAWACFFKQ-GFCCVEGCSA-N 1 0 390.297 2.133 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000187386585 532344352 /nfs/dbraw/zinc/34/43/52/532344352.db2.gz NWLUEFBXCCBXIB-LBPRGKRZSA-N 1 0 387.311 2.074 20 0 GEADRO CCN(CCO)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187570680 532344798 /nfs/dbraw/zinc/34/47/98/532344798.db2.gz TUMKIEJCSSRKMI-UHFFFAOYSA-N 1 0 395.139 2.198 20 0 GEADRO CC(C)[C@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC[NH2+]1 ZINC000647255567 532372567 /nfs/dbraw/zinc/37/25/67/532372567.db2.gz FULBSMMDTVHPMG-GFCCVEGCSA-N 1 0 383.258 2.346 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cc21 ZINC000647264533 532373016 /nfs/dbraw/zinc/37/30/16/532373016.db2.gz GIJOJPMURBCHEC-NHYWBVRUSA-N 1 0 398.326 2.313 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)CCc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000425201433 532373271 /nfs/dbraw/zinc/37/32/71/532373271.db2.gz LQDKRIFTPNNEAY-GOSISDBHSA-N 1 0 387.977 2.074 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000621960451 532373757 /nfs/dbraw/zinc/37/37/57/532373757.db2.gz XBXUSJQMVJDYJQ-QGZVFWFLSA-N 1 0 387.318 2.425 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000463457900 532374562 /nfs/dbraw/zinc/37/45/62/532374562.db2.gz WXQLTRIZTJFTOO-GJZGRUSLSA-N 1 0 384.249 2.471 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 ZINC000590494874 532374581 /nfs/dbraw/zinc/37/45/81/532374581.db2.gz JQTFWGLLCOJERC-UHFFFAOYSA-N 1 0 383.279 2.321 20 0 GEADRO OCCN1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000647530016 532374644 /nfs/dbraw/zinc/37/46/44/532374644.db2.gz CNGSOWGRVUKQOT-CABCVRRESA-N 1 0 377.312 2.170 20 0 GEADRO COc1cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)ccc1Br ZINC000372175233 532374791 /nfs/dbraw/zinc/37/47/91/532374791.db2.gz GXMBQJZCFGOYBV-UHFFFAOYSA-N 1 0 389.315 2.363 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000647527346 532375007 /nfs/dbraw/zinc/37/50/07/532375007.db2.gz SFQREMGZZKVOCI-DGCLKSJQSA-N 1 0 378.694 2.450 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC1CC[NH+](C)CC1 ZINC000294668272 532375162 /nfs/dbraw/zinc/37/51/62/532375162.db2.gz DFTMFENXRGFMFR-LBPRGKRZSA-N 1 0 384.318 2.146 20 0 GEADRO OCCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647529356 532375364 /nfs/dbraw/zinc/37/53/64/532375364.db2.gz MOTQXMCKMAQGGD-ZIAGYGMSSA-N 1 0 377.312 2.170 20 0 GEADRO O=S(=O)(c1cc(Br)ccc1F)N(C1CC1)C1CC[NH2+]CC1 ZINC000372175616 532375428 /nfs/dbraw/zinc/37/54/28/532375428.db2.gz KBLADAFNAAQBIY-UHFFFAOYSA-N 1 0 377.279 2.493 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000294687051 532375547 /nfs/dbraw/zinc/37/55/47/532375547.db2.gz IKLDQMCZTFJJSW-ONGXEEELSA-N 1 0 379.345 2.369 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000294677397 532375983 /nfs/dbraw/zinc/37/59/83/532375983.db2.gz SYGTUQDBYXJIGZ-UHFFFAOYSA-N 1 0 392.301 2.444 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000191932372 532376045 /nfs/dbraw/zinc/37/60/45/532376045.db2.gz NPCCCKXCWMKYNR-UHFFFAOYSA-N 1 0 390.272 2.485 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000647596179 532376413 /nfs/dbraw/zinc/37/64/13/532376413.db2.gz OTOIJRNXQWGYDQ-RYUDHWBXSA-N 1 0 388.693 2.105 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000425224947 532376735 /nfs/dbraw/zinc/37/67/35/532376735.db2.gz CQFOFWJWVZKGGT-UHFFFAOYSA-N 1 0 375.966 2.028 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2COc3ccc(Br)cc32)C1 ZINC000677541663 532376977 /nfs/dbraw/zinc/37/69/77/532376977.db2.gz SLYNKKDRGLQCSV-ZFWWWQNUSA-N 1 0 383.286 2.152 20 0 GEADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cc(Br)c[nH]c1=O ZINC000622061374 532377312 /nfs/dbraw/zinc/37/73/12/532377312.db2.gz FQTCESFMJVXGPW-AWEZNQCLSA-N 1 0 392.253 2.369 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000191969084 532377491 /nfs/dbraw/zinc/37/74/91/532377491.db2.gz BHDCBXIEXQKVGM-LLVKDONJSA-N 1 0 386.265 2.293 20 0 GEADRO Cc1cnc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(I)c1 ZINC000425239187 532377682 /nfs/dbraw/zinc/37/76/82/532377682.db2.gz WCOXIZCDOMQHDR-CYBMUJFWSA-N 1 0 387.265 2.153 20 0 GEADRO CC(C)[C@@H](CNC(=O)Cc1cscc1Br)[NH+]1CCN(C)CC1 ZINC000294723034 532377791 /nfs/dbraw/zinc/37/77/91/532377791.db2.gz KEIFWOFGKCCRLY-OAHLLOKOSA-N 1 0 388.375 2.441 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c(I)c1 ZINC000590566091 532377962 /nfs/dbraw/zinc/37/79/62/532377962.db2.gz BOLNMUBRZNCNAW-HZMBPMFUSA-N 1 0 388.249 2.464 20 0 GEADRO Cc1cnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(I)c1 ZINC000425239189 532378128 /nfs/dbraw/zinc/37/81/28/532378128.db2.gz WCOXIZCDOMQHDR-ZDUSSCGKSA-N 1 0 387.265 2.153 20 0 GEADRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191696674 532362369 /nfs/dbraw/zinc/36/23/69/532362369.db2.gz QFNCQTJNPNYKFL-ZDUSSCGKSA-N 1 0 384.318 2.100 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)s1 ZINC000515415903 532362571 /nfs/dbraw/zinc/36/25/71/532362571.db2.gz YGQNPRJTRLSIII-NSHDSACASA-N 1 0 375.899 2.335 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000277766008 532363235 /nfs/dbraw/zinc/36/32/35/532363235.db2.gz ZLIZGWGZDJNSDJ-ABAIWWIYSA-N 1 0 387.933 2.145 20 0 GEADRO CC[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647003143 532363834 /nfs/dbraw/zinc/36/38/34/532363834.db2.gz PWHGUBVYLJJSPC-DOMZBBRYSA-N 1 0 382.302 2.155 20 0 GEADRO COc1ccc(CCC(=O)NCCNc2cc[nH+]cc2)c(Br)c1 ZINC000621678092 532364142 /nfs/dbraw/zinc/36/41/42/532364142.db2.gz HUTRCMFQIJQXKP-UHFFFAOYSA-N 1 0 378.270 2.436 20 0 GEADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)C2 ZINC000621695635 532365242 /nfs/dbraw/zinc/36/52/42/532365242.db2.gz YBGDJEFJMSXRJC-APPDUMDISA-N 1 0 398.276 2.048 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000590002054 532365820 /nfs/dbraw/zinc/36/58/20/532365820.db2.gz UDOJGMWCQQVLBK-XJKSGUPXSA-N 1 0 394.313 2.355 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[NH+](C2CC2)CC1 ZINC000294532891 532365845 /nfs/dbraw/zinc/36/58/45/532365845.db2.gz HOFHQSBJXUAZIY-ZDUSSCGKSA-N 1 0 396.329 2.242 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000590002053 532366229 /nfs/dbraw/zinc/36/62/29/532366229.db2.gz UDOJGMWCQQVLBK-CZUORRHYSA-N 1 0 394.313 2.355 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cnn(C)c1 ZINC000425099686 532366508 /nfs/dbraw/zinc/36/65/08/532366508.db2.gz QMUXIEHHUMIHGD-UHFFFAOYSA-N 1 0 380.290 2.433 20 0 GEADRO NC(=O)C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2o1)C1CCOCC1 ZINC000463130951 532366648 /nfs/dbraw/zinc/36/66/48/532366648.db2.gz XWYPZTOZTDBWMC-CYBMUJFWSA-N 1 0 382.258 2.351 20 0 GEADRO Cc1nc(NC(=O)C[C@@H]2CSCC[NH2+]2)ccc1I ZINC000463148587 532367059 /nfs/dbraw/zinc/36/70/59/532367059.db2.gz XEFPXHKDJVUWMG-SECBINFHSA-N 1 0 377.251 2.028 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C ZINC000677191615 532367426 /nfs/dbraw/zinc/36/74/26/532367426.db2.gz ILMMODXAGZDIKI-CZUORRHYSA-N 1 0 394.313 2.355 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000677196747 532367700 /nfs/dbraw/zinc/36/77/00/532367700.db2.gz VEMQFXWDYWFXPQ-XJKSGUPXSA-N 1 0 381.929 2.408 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000515522731 532367703 /nfs/dbraw/zinc/36/77/03/532367703.db2.gz AUIYIKLOACZXNM-IUODEOHRSA-N 1 0 380.286 2.277 20 0 GEADRO CC[N@@H+]1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@@H]1C ZINC000677193024 532368208 /nfs/dbraw/zinc/36/82/08/532368208.db2.gz UPAFVNOXLSUKRD-HNNXBMFYSA-N 1 0 398.345 2.312 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000372028048 532368319 /nfs/dbraw/zinc/36/83/19/532368319.db2.gz KMDVHBPETCKKSI-DZGCQCFKSA-N 1 0 381.318 2.271 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000515522732 532368506 /nfs/dbraw/zinc/36/85/06/532368506.db2.gz AUIYIKLOACZXNM-SWLSCSKDSA-N 1 0 380.286 2.277 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372058751 532370152 /nfs/dbraw/zinc/37/01/52/532370152.db2.gz USFILNWFXSANLI-CJNGLKHVSA-N 1 0 389.924 2.126 20 0 GEADRO COc1cc(Br)c(NC(=O)NCCOCC[NH+](C)C)cc1OC ZINC000463243455 532371140 /nfs/dbraw/zinc/37/11/40/532371140.db2.gz BYVUETOPWKQOQB-UHFFFAOYSA-N 1 0 390.278 2.166 20 0 GEADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cn(C2CC[NH2+]CC2)nn1 ZINC000372115712 532371209 /nfs/dbraw/zinc/37/12/09/532371209.db2.gz IWZAYCCDWQAEPX-CYBMUJFWSA-N 1 0 382.251 2.373 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000647236468 532371412 /nfs/dbraw/zinc/37/14/12/532371412.db2.gz LSGWAYDIPPHQEC-ZDUSSCGKSA-N 1 0 389.315 2.363 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1cccc(I)c1 ZINC000590403774 532371556 /nfs/dbraw/zinc/37/15/56/532371556.db2.gz NQSUCHHZVOXVGA-SMDDNHRTSA-N 1 0 388.249 2.221 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cccc2ccccc21 ZINC000463283058 532371640 /nfs/dbraw/zinc/37/16/40/532371640.db2.gz NPCIZHOGFJTFQT-UHFFFAOYSA-N 1 0 377.491 2.378 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc(I)cc21)C1CC1 ZINC000463264981 532371933 /nfs/dbraw/zinc/37/19/33/532371933.db2.gz IBVBNHQVYXFSQB-ZDUSSCGKSA-N 1 0 398.248 2.238 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372111671 532371986 /nfs/dbraw/zinc/37/19/86/532371986.db2.gz WEUQTCQBOFTBBG-CVEARBPZSA-N 1 0 385.277 2.188 20 0 GEADRO CN(CCC[NH2+]Cc1ccnc2c(Br)cccc12)S(C)(=O)=O ZINC000648419091 532395280 /nfs/dbraw/zinc/39/52/80/532395280.db2.gz NVJVYHCOLUFTKM-UHFFFAOYSA-N 1 0 386.315 2.368 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC000677581221 532378966 /nfs/dbraw/zinc/37/89/66/532378966.db2.gz BBRPGQGLLNKXSS-OAHLLOKOSA-N 1 0 387.293 2.436 20 0 GEADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1c[nH]c2cccc(Br)c21 ZINC000294744665 532379444 /nfs/dbraw/zinc/37/94/44/532379444.db2.gz VJXVPZCHVRGXNX-IAQYHMDHSA-N 1 0 380.286 2.458 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCn1cccn1 ZINC000294737482 532379536 /nfs/dbraw/zinc/37/95/36/532379536.db2.gz HGGBSHRSHTXNMS-ZDUSSCGKSA-N 1 0 395.301 2.291 20 0 GEADRO O=C(Cc1c[nH]c2cccc(Br)c12)N[C@@H](CO)C[NH+]1CCCC1 ZINC000647711957 532380604 /nfs/dbraw/zinc/38/06/04/532380604.db2.gz MJYFNXAOGSDPRA-CYBMUJFWSA-N 1 0 380.286 2.046 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706687 532381040 /nfs/dbraw/zinc/38/10/40/532381040.db2.gz OSZJMTCQSHJIQJ-YUELXQCFSA-N 1 0 399.304 2.434 20 0 GEADRO Cn1nc(Br)cc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000192041404 532381268 /nfs/dbraw/zinc/38/12/68/532381268.db2.gz JGRMYFJEPFWSFC-UHFFFAOYSA-N 1 0 381.274 2.053 20 0 GEADRO Cc1ccc(OCCC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(Br)c1 ZINC000647709424 532381449 /nfs/dbraw/zinc/38/14/49/532381449.db2.gz WKBNJCGNJOJVEA-GJZGRUSLSA-N 1 0 397.313 2.194 20 0 GEADRO Cc1cc(Br)cc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000463756802 532382183 /nfs/dbraw/zinc/38/21/83/532382183.db2.gz ROWTXCCLLHJDNU-UHFFFAOYSA-N 1 0 396.329 2.430 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000516188308 532382277 /nfs/dbraw/zinc/38/22/77/532382277.db2.gz BBTGNNZCMUVJLG-CABCVRRESA-N 1 0 387.571 2.061 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000516188310 532382757 /nfs/dbraw/zinc/38/27/57/532382757.db2.gz BBTGNNZCMUVJLG-GJZGRUSLSA-N 1 0 387.571 2.061 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000677849107 532383566 /nfs/dbraw/zinc/38/35/66/532383566.db2.gz VHSZGOJJEBBROW-DYVFJYSZSA-N 1 0 389.924 2.126 20 0 GEADRO CS(=O)(=O)Nc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1 ZINC000516274022 532383865 /nfs/dbraw/zinc/38/38/65/532383865.db2.gz OSQDAZWPQXDACN-UHFFFAOYSA-N 1 0 380.495 2.234 20 0 GEADRO CC(C)[C@@H](CNC(=O)Nc1cc(Br)ccn1)[NH+]1CCN(C)CC1 ZINC000278531288 532384426 /nfs/dbraw/zinc/38/44/26/532384426.db2.gz FBMXEKNIDPHMIJ-CQSZACIVSA-N 1 0 384.322 2.238 20 0 GEADRO CCc1[nH]n(C)c2nnc(NC(=O)[C@](C)([NH3+])c3ccc(Br)cc3)c1-2 ZINC000648155276 532385803 /nfs/dbraw/zinc/38/58/03/532385803.db2.gz FTNZUPJIDCKJKC-MRXNPFEDSA-N 1 0 391.273 2.434 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CCSC1)COc1ccc(I)cc1 ZINC000278540436 532386373 /nfs/dbraw/zinc/38/63/73/532386373.db2.gz TVKFVYZPBKBIDN-DGCLKSJQSA-N 1 0 393.290 2.374 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CCC(C)([NH3+])CC1)c1ccc(Br)cc1 ZINC000648120977 532386566 /nfs/dbraw/zinc/38/65/66/532386566.db2.gz ZQTYYILLGCPQGU-OAHLLOKOSA-N 1 0 382.302 2.356 20 0 GEADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000558157034 532387124 /nfs/dbraw/zinc/38/71/24/532387124.db2.gz NPSIFYWZLXHWAR-NVXWUHKLSA-N 1 0 399.329 2.427 20 0 GEADRO C[C@@H](CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623373788 532387263 /nfs/dbraw/zinc/38/72/63/532387263.db2.gz LVQQNTRERPZULU-CYBMUJFWSA-N 1 0 377.312 2.422 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)c1Cl ZINC000278886652 532387392 /nfs/dbraw/zinc/38/73/92/532387392.db2.gz SXXJHLLCTPJLDC-SNVBAGLBSA-N 1 0 380.919 2.069 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623352052 532388074 /nfs/dbraw/zinc/38/80/74/532388074.db2.gz NATWYYDAUXHPOC-UHFFFAOYSA-N 1 0 384.395 2.280 20 0 GEADRO Cc1cc(Br)c(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1Cl ZINC000294846451 532388216 /nfs/dbraw/zinc/38/82/16/532388216.db2.gz RQXOMFGVNJOCOW-CYBMUJFWSA-N 1 0 382.707 2.050 20 0 GEADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000372392526 532388546 /nfs/dbraw/zinc/38/85/46/532388546.db2.gz BURIGTUFYNIAHC-YOEHRIQHSA-N 1 0 380.901 2.444 20 0 GEADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192150808 532388713 /nfs/dbraw/zinc/38/87/13/532388713.db2.gz AZLRRHQABANXPA-SWLSCSKDSA-N 1 0 377.794 2.222 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cc3ccc(F)cc3Br)CC2)C1 ZINC000372379508 532388972 /nfs/dbraw/zinc/38/89/72/532388972.db2.gz ZKJLICBQNIZIHM-INIZCTEOSA-N 1 0 398.320 2.369 20 0 GEADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000558425052 532389593 /nfs/dbraw/zinc/38/95/93/532389593.db2.gz NTXODSKNOUNBAH-LLVKDONJSA-N 1 0 382.452 2.311 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000372397187 532389892 /nfs/dbraw/zinc/38/98/92/532389892.db2.gz BINJTOSANIRZHU-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1[nH]c2ccccc2c1Br ZINC000558409758 532390261 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NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccsc2Br)CC1 ZINC000648902664 532408173 /nfs/dbraw/zinc/40/81/73/532408173.db2.gz RVZMJRFUNSVSIF-GFCCVEGCSA-N 1 0 386.315 2.065 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccnc1OCC(F)F ZINC000625025040 532406102 /nfs/dbraw/zinc/40/61/02/532406102.db2.gz XYTQHTSZZAXTPD-ZDUSSCGKSA-N 1 0 377.457 2.220 20 0 GEADRO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000648883260 532406252 /nfs/dbraw/zinc/40/62/52/532406252.db2.gz WIKLDXMCEVJSRO-DFBGVHRSSA-N 1 0 380.286 2.011 20 0 GEADRO CS(=O)(=O)C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000559893270 532406660 /nfs/dbraw/zinc/40/66/60/532406660.db2.gz KGQPQQCKAMNGSI-DZGCQCFKSA-N 1 0 387.343 2.441 20 0 GEADRO CCS[C@H]1CCC[C@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000192753511 532409139 /nfs/dbraw/zinc/40/91/39/532409139.db2.gz YNHBHEVOJLNUIS-HOTGVXAUSA-N 1 0 388.603 2.404 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000295144217 532409543 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GEADRO CS(=O)(=O)C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)C1CC1 ZINC000559904406 532408458 /nfs/dbraw/zinc/40/84/58/532408458.db2.gz UBBYEYMFOGRHDD-BBRMVZONSA-N 1 0 390.343 2.013 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000517210054 532408523 /nfs/dbraw/zinc/40/85/23/532408523.db2.gz FHHPFQVVIYHZES-GXTWGEPZSA-N 1 0 380.286 2.475 20 0 GEADRO COCCOCCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280251738 532411512 /nfs/dbraw/zinc/41/15/12/532411512.db2.gz WQLUWLLLNCWNFY-SNVBAGLBSA-N 1 0 385.313 2.345 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000192816072 532411990 /nfs/dbraw/zinc/41/19/90/532411990.db2.gz RPOMZNQCSTVLTL-ZNMIVQPWSA-N 1 0 398.345 2.013 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ncccc2I)CC1 ZINC000591446061 532412227 /nfs/dbraw/zinc/41/22/27/532412227.db2.gz RMSGYDARDCDSAV-UONOGXRCSA-N 1 0 387.265 2.409 20 0 GEADRO O=C(c1ccncc1I)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000372836326 532412714 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2.014 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000372866473 532416220 /nfs/dbraw/zinc/41/62/20/532416220.db2.gz CMNVKZNJZMJZRR-OAHLLOKOSA-N 1 0 382.302 2.122 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000591649973 532418621 /nfs/dbraw/zinc/41/86/21/532418621.db2.gz RSOTURPJRHLPMD-GFCCVEGCSA-N 1 0 390.311 2.148 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000680634862 532418840 /nfs/dbraw/zinc/41/88/40/532418840.db2.gz AVABOHGLLSDJIE-LBPRGKRZSA-N 1 0 382.302 2.216 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)s1 ZINC000680541055 532417351 /nfs/dbraw/zinc/41/73/51/532417351.db2.gz IYRGZICDJDDFPS-CYBMUJFWSA-N 1 0 387.571 2.346 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)ncc1Br ZINC000193016499 532417426 /nfs/dbraw/zinc/41/74/26/532417426.db2.gz RQJHPPPNHRVHEQ-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO OCCCN1CCC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000295196782 532417947 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O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N(CCO)Cc1cccc(Br)c1 ZINC000561223797 532433104 /nfs/dbraw/zinc/43/31/04/532433104.db2.gz FWIHYVJQYBAERN-YQQAZPJKSA-N 1 0 396.329 2.341 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2nscc2Br)CC1 ZINC000650082597 532433324 /nfs/dbraw/zinc/43/33/24/532433324.db2.gz MENNQERNPGJSTK-UHFFFAOYSA-N 1 0 375.336 2.052 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)c(C)nc2OC)C1 ZINC000681623849 532434461 /nfs/dbraw/zinc/43/44/61/532434461.db2.gz XGWPCAWFZPIDTG-LBPRGKRZSA-N 1 0 386.290 2.002 20 0 GEADRO Cc1nc2cc(Br)cc(NC(=O)NCC[N@@H+]3CC[C@H](O)C3)c2o1 ZINC000626508065 532437052 /nfs/dbraw/zinc/43/70/52/532437052.db2.gz ZZYZUTDOAXIDQI-NSHDSACASA-N 1 0 383.246 2.087 20 0 GEADRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000592209554 532441471 /nfs/dbraw/zinc/44/14/71/532441471.db2.gz WYXQJRFPJRISMN-ZFWWWQNUSA-N 1 0 384.270 2.268 20 0 GEADRO Cc1nccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000682107658 532441135 /nfs/dbraw/zinc/44/11/35/532441135.db2.gz VXVLZBVCTGCSEB-UHFFFAOYSA-N 1 0 376.258 2.324 20 0 GEADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000427946964 532437469 /nfs/dbraw/zinc/43/74/69/532437469.db2.gz QIZAFNZQKUGYPY-SNVBAGLBSA-N 1 0 377.304 2.180 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000427954656 532437691 /nfs/dbraw/zinc/43/76/91/532437691.db2.gz ZWJWDKSPIQKFLK-KNXALSJPSA-N 1 0 386.901 2.265 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)ncc1Br ZINC000193923989 532437880 /nfs/dbraw/zinc/43/78/80/532437880.db2.gz BAVSJQHZZMOSIN-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000467080321 532437953 /nfs/dbraw/zinc/43/79/53/532437953.db2.gz FGLAGRGXYAUQFV-LKFCYVNXSA-N 1 0 384.249 2.126 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427948331 532437991 /nfs/dbraw/zinc/43/79/91/532437991.db2.gz VGFPBJHHOBVETC-WCQYABFASA-N 1 0 389.315 2.139 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)C2(c3cncc(Br)c3)CC2)CC1(C)C ZINC000281849424 532438137 /nfs/dbraw/zinc/43/81/37/532438137.db2.gz UKEYPDAUHXAMJB-UHFFFAOYSA-N 1 0 395.345 2.018 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000427930137 532438229 /nfs/dbraw/zinc/43/82/29/532438229.db2.gz ISKZHCCJILDGNS-VIFPVBQESA-N 1 0 383.283 2.393 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)CN(C)C(=O)c2ccc(Br)o2)[C@@H](C)C[N@@H+]1C ZINC000650149557 532438286 /nfs/dbraw/zinc/43/82/86/532438286.db2.gz FORKFFGWSOTHGH-TUAOUCFPSA-N 1 0 386.290 2.054 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561425954 532438342 /nfs/dbraw/zinc/43/83/42/532438342.db2.gz NQLDNYVLYYXUKU-LBPRGKRZSA-N 1 0 398.301 2.134 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000295368216 532438478 /nfs/dbraw/zinc/43/84/78/532438478.db2.gz ZPNGMOJKBFGENS-SKDRFNHKSA-N 1 0 396.738 2.458 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cn1 ZINC000427958609 532439095 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NRCLYWZYMUKLNG-UHFFFAOYSA-N 1 0 396.329 2.198 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000626910897 532445801 /nfs/dbraw/zinc/44/58/01/532445801.db2.gz LKLJLDRLUVRICZ-IINYFYTJSA-N 1 0 376.254 2.407 20 0 GEADRO COC(=O)C(C)(C)CC[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000467511465 532449468 /nfs/dbraw/zinc/44/94/68/532449468.db2.gz KYCIWAMALPCLDG-UHFFFAOYSA-N 1 0 376.906 2.187 20 0 GEADRO COC(=O)c1occc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000467521901 532449534 /nfs/dbraw/zinc/44/95/34/532449534.db2.gz SCAOZIWXOBIHKY-UHFFFAOYSA-N 1 0 386.857 2.178 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000518865064 532449699 /nfs/dbraw/zinc/44/96/99/532449699.db2.gz LZCVTDCRZHKLQO-IJEWVQPXSA-N 1 0 396.329 2.475 20 0 GEADRO CN(CCCn1ccnc1)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000295467328 532449760 /nfs/dbraw/zinc/44/97/60/532449760.db2.gz OTAYNAXILFNOPF-UHFFFAOYSA-N 1 0 389.257 2.389 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CN(C)C(=O)c1ccc(Br)o1 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O=C(CN1C(=S)N=NC1c1cccs1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373546085 532457469 /nfs/dbraw/zinc/45/74/69/532457469.db2.gz JSACKPNTGRLKMJ-CHWSQXEVSA-N 1 0 377.539 2.286 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ncc(Br)cc1F ZINC000373552790 532457702 /nfs/dbraw/zinc/45/77/02/532457702.db2.gz WGKXYNOQZWQESR-ZJUUUORDSA-N 1 0 396.264 2.192 20 0 GEADRO CC(C)([NH3+])CCC(=O)NCCOc1ccc(I)cc1 ZINC000592564085 532455249 /nfs/dbraw/zinc/45/52/49/532455249.db2.gz FCSIDNOLAAMRRL-UHFFFAOYSA-N 1 0 376.238 2.304 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000627803404 532455483 /nfs/dbraw/zinc/45/54/83/532455483.db2.gz RWVHBCVUQJSURY-SECBINFHSA-N 1 0 379.766 2.388 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000467810565 532456051 /nfs/dbraw/zinc/45/60/51/532456051.db2.gz VLQICZODFXMUNW-HNNXBMFYSA-N 1 0 396.329 2.208 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000194770753 532456429 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O=C(Nc1nc(C(F)(F)F)cs1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000519436882 532464476 /nfs/dbraw/zinc/46/44/76/532464476.db2.gz LZYDJFDZUFTGLA-UHFFFAOYSA-N 1 0 376.404 2.234 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000428899100 532465745 /nfs/dbraw/zinc/46/57/45/532465745.db2.gz WNANCWXMZHASFN-VIFPVBQESA-N 1 0 398.248 2.367 20 0 GEADRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cn1 ZINC000195090654 532466741 /nfs/dbraw/zinc/46/67/41/532466741.db2.gz TUZQVHPLGWQYCL-UHFFFAOYSA-N 1 0 378.274 2.428 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683909700 532466948 /nfs/dbraw/zinc/46/69/48/532466948.db2.gz BWPWGTXACAEXAZ-CXAGYDPISA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000373733740 532467048 /nfs/dbraw/zinc/46/70/48/532467048.db2.gz ZCXYAGILRSXPOJ-UKRRQHHQSA-N 1 0 382.917 2.405 20 0 GEADRO C[NH+](C)CCOCCNC(=O)c1c(Cl)cccc1I ZINC000468339952 532462819 /nfs/dbraw/zinc/46/28/19/532462819.db2.gz FDQDQQDVOTZCBK-UHFFFAOYSA-N 1 0 396.656 2.253 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000429066916 532470136 /nfs/dbraw/zinc/47/01/36/532470136.db2.gz WTIYZXDSLFWVTJ-MRVPVSSYSA-N 1 0 394.191 2.214 20 0 GEADRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)CC2CC(F)(F)C2)cc1 ZINC000295705809 532470678 /nfs/dbraw/zinc/47/06/78/532470678.db2.gz MUPXVVREAFORLW-UHFFFAOYSA-N 1 0 376.469 2.134 20 0 GEADRO C[NH+](C)CCN1CCN(c2ccnc3ccc(Br)cc32)CC1=O ZINC000651383387 532471384 /nfs/dbraw/zinc/47/13/84/532471384.db2.gz XISAHTRRPGUSPX-UHFFFAOYSA-N 1 0 377.286 2.208 20 0 GEADRO C[C@](CO)([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000562548829 532471487 /nfs/dbraw/zinc/47/14/87/532471487.db2.gz SNZCMUZJACFHNK-GVDBMIGSSA-N 1 0 378.296 2.347 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1cccc(Br)c1 ZINC000684200242 532471568 /nfs/dbraw/zinc/47/15/68/532471568.db2.gz QKPYXBDEERUVLQ-HUUCEWRRSA-N 1 0 379.302 2.128 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1ccccc1Br ZINC000684195571 532471615 /nfs/dbraw/zinc/47/16/15/532471615.db2.gz BSFUESPFWSYDMR-KGLIPLIRSA-N 1 0 379.302 2.128 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1cccc(Br)c1 ZINC000684200244 532471630 /nfs/dbraw/zinc/47/16/30/532471630.db2.gz QKPYXBDEERUVLQ-LSDHHAIUSA-N 1 0 379.302 2.128 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000628682964 532472071 /nfs/dbraw/zinc/47/20/71/532472071.db2.gz RTKNQMSFYQJHAD-FZKQIMNGSA-N 1 0 381.314 2.127 20 0 GEADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)C(=O)N1CCSCC1 ZINC000651518691 532472088 /nfs/dbraw/zinc/47/20/88/532472088.db2.gz LVBNHOJWRKUPIP-UHFFFAOYSA-N 1 0 379.551 2.388 20 0 GEADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CC[NH+](C2CCOCC2)CC1 ZINC000282509004 532472281 /nfs/dbraw/zinc/47/22/81/532472281.db2.gz OPWOAJAUPXAQMF-UHFFFAOYSA-N 1 0 393.285 2.262 20 0 GEADRO CC(C)[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)CS1 ZINC000373801873 532472333 /nfs/dbraw/zinc/47/23/33/532472333.db2.gz XEUABOUDHNRMJZ-DOTOQJQBSA-N 1 0 376.588 2.079 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000628682966 532472535 /nfs/dbraw/zinc/47/25/35/532472535.db2.gz RTKNQMSFYQJHAD-UGSOOPFHSA-N 1 0 381.314 2.127 20 0 GEADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)CS1 ZINC000373800489 532472743 /nfs/dbraw/zinc/47/27/43/532472743.db2.gz NVDKLRWKPRRXIC-WBVHZDCISA-N 1 0 390.615 2.469 20 0 GEADRO C[N@H+](CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@@H]1CCSC1 ZINC000628906837 532476901 /nfs/dbraw/zinc/47/69/01/532476901.db2.gz YOWBIWZOXFGUEZ-OCCSQVGLSA-N 1 0 385.892 2.138 20 0 GEADRO C[C@@H](NC(=O)[C@H]([NH3+])CCC(N)=O)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000373884611 532476852 /nfs/dbraw/zinc/47/68/52/532476852.db2.gz YTBRTDJJNNKXKU-PRHODGIISA-N 1 0 384.864 2.373 20 0 GEADRO C[C@@H](NC(=O)[C@@H]([NH3+])CCC(N)=O)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000373884608 532477665 /nfs/dbraw/zinc/47/76/65/532477665.db2.gz YTBRTDJJNNKXKU-PELKAZGASA-N 1 0 384.864 2.373 20 0 GEADRO C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cn1 ZINC000282555025 532477971 /nfs/dbraw/zinc/47/79/71/532477971.db2.gz BTOXWBWYASGJGA-CYBMUJFWSA-N 1 0 398.349 2.230 20 0 GEADRO CC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H](O)C(F)F ZINC000519773977 532478309 /nfs/dbraw/zinc/47/83/09/532478309.db2.gz LPVWVUJOFDPBHG-WXHSDQCUSA-N 1 0 386.208 2.322 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Br)c2c1OCCC2 ZINC000468866598 532478771 /nfs/dbraw/zinc/47/87/71/532478771.db2.gz GDBQPLGPAVWATI-UHFFFAOYSA-N 1 0 385.302 2.424 20 0 GEADRO C[C@H](NC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000684380409 532479067 /nfs/dbraw/zinc/47/90/67/532479067.db2.gz MTBODTCGELZBMM-NHYWBVRUSA-N 1 0 397.317 2.005 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)COc1cccc(I)c1 ZINC000519823544 532479693 /nfs/dbraw/zinc/47/96/93/532479693.db2.gz QSOJYGZJBJQEFA-UEKVPHQBSA-N 1 0 388.249 2.173 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C(=O)NCCF ZINC000282590432 532480642 /nfs/dbraw/zinc/48/06/42/532480642.db2.gz GSCMHSQPBLUZGH-SNVBAGLBSA-N 1 0 375.238 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O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236716300 532495141 /nfs/dbraw/zinc/49/51/41/532495141.db2.gz YVKZZYWFAIZMCC-PBHICJAKSA-N 1 0 396.329 2.160 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000469200771 532495179 /nfs/dbraw/zinc/49/51/79/532495179.db2.gz BGNVKBWUTOJCDD-CHWSQXEVSA-N 1 0 378.922 2.372 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)s2)CCN1C1CC[NH+](C)CC1 ZINC000374267587 532495447 /nfs/dbraw/zinc/49/54/47/532495447.db2.gz CFHUUQZIDURCQQ-LBPRGKRZSA-N 1 0 377.963 2.191 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)c(=O)n(C)c1=O ZINC000374257302 532495858 /nfs/dbraw/zinc/49/58/58/532495858.db2.gz DBGGUQQIVIWYPI-HNNXBMFYSA-N 1 0 378.270 2.184 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CC1=O ZINC000468751670 532474195 /nfs/dbraw/zinc/47/41/95/532474195.db2.gz ADEWELWATGQHFG-CYBMUJFWSA-N 1 0 384.307 2.288 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611377 532502213 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CS(=O)(=O)c1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1F ZINC000563406754 532503845 /nfs/dbraw/zinc/50/38/45/532503845.db2.gz BCYHYNRAKNPBFP-AWEZNQCLSA-N 1 0 386.514 2.385 20 0 GEADRO C[NH2+]CC1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000237064824 532504234 /nfs/dbraw/zinc/50/42/34/532504234.db2.gz FQNLDXCOTSZWSH-CQSZACIVSA-N 1 0 394.313 2.260 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629911882 532504314 /nfs/dbraw/zinc/50/43/14/532504314.db2.gz WZDWSJZKQULHJG-PWSUYJOCSA-N 1 0 391.693 2.053 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000237072213 532504493 /nfs/dbraw/zinc/50/44/93/532504493.db2.gz XPXGFCQZNZEONE-GFCCVEGCSA-N 1 0 376.320 2.017 20 0 GEADRO CS(=O)(=O)C[C@H]1CCCN(Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000296191227 532504599 /nfs/dbraw/zinc/50/45/99/532504599.db2.gz YLLWVYJDEQEEQQ-HNNXBMFYSA-N 1 0 386.945 2.433 20 0 GEADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)N[C@H]1CC[NH2+]C1 ZINC000563455941 532504703 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CCO[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000652187629 532505670 /nfs/dbraw/zinc/50/56/70/532505670.db2.gz QLTBATCLJHYCBQ-SLBVQIDZSA-N 1 0 382.302 2.310 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000652186621 532505785 /nfs/dbraw/zinc/50/57/85/532505785.db2.gz PZZIDKGPJCEFPA-LBPRGKRZSA-N 1 0 385.306 2.315 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000237277565 532505900 /nfs/dbraw/zinc/50/59/00/532505900.db2.gz BAXPGKVBJJWZPZ-CYBMUJFWSA-N 1 0 396.329 2.273 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Cl ZINC000652183011 532506001 /nfs/dbraw/zinc/50/60/01/532506001.db2.gz KSZWXIYIURKUJM-GUYCJALGSA-N 1 0 385.917 2.014 20 0 GEADRO C[NH2+]Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Br)o2)c1 ZINC000237212499 532506107 /nfs/dbraw/zinc/50/61/07/532506107.db2.gz JVMHIJMAEFBVJL-UHFFFAOYSA-N 1 0 380.242 2.472 20 0 GEADRO O=C(CNC(=O)NC1(c2c(Cl)cccc2Cl)CCC1)N1CC[NH2+]CC1 ZINC000563595419 532506572 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O=C(Cc1csc2ccc(Cl)cc12)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000563624303 532508545 /nfs/dbraw/zinc/50/85/45/532508545.db2.gz SCCFAMRIGZUULO-UHFFFAOYSA-N 1 0 376.873 2.264 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@H](c2nnc[nH]2)C1 ZINC000374529266 532508610 /nfs/dbraw/zinc/50/86/10/532508610.db2.gz GISCYGICPMNHMQ-NSHDSACASA-N 1 0 398.330 2.467 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000431269270 532508673 /nfs/dbraw/zinc/50/86/73/532508673.db2.gz IYMYGEUJILWTCA-UHFFFAOYSA-N 1 0 378.897 2.352 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000652383758 532509354 /nfs/dbraw/zinc/50/93/54/532509354.db2.gz GINWCJAWYJSFPY-ONERCXAPSA-N 1 0 378.416 2.153 20 0 GEADRO COC[C@@]1(C(=O)OC)CCN(CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000296262868 532509570 /nfs/dbraw/zinc/50/95/70/532509570.db2.gz LXLXUVFMPMRLOU-MRXNPFEDSA-N 1 0 375.252 2.443 20 0 GEADRO Cc1ccc(Br)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000563813047 532509649 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COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594483661 532510562 /nfs/dbraw/zinc/51/05/62/532510562.db2.gz NOINMCILBFJJST-KBPBESRZSA-N 1 0 386.901 2.422 20 0 GEADRO COc1cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)cc(Cl)c1OCC(N)=O ZINC000521317604 532510597 /nfs/dbraw/zinc/51/05/97/532510597.db2.gz NXYYPRIVUJRTLM-SNVBAGLBSA-N 1 0 378.803 2.274 20 0 GEADRO C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000469771411 532510830 /nfs/dbraw/zinc/51/08/30/532510830.db2.gz AJTUIVOGYKSBRV-VIFPVBQESA-N 1 0 376.347 2.199 20 0 GEADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000469789901 532511389 /nfs/dbraw/zinc/51/13/89/532511389.db2.gz HABAXEYNGWWJIU-GVDBMIGSSA-N 1 0 390.615 2.312 20 0 GEADRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000469753998 532511540 /nfs/dbraw/zinc/51/15/40/532511540.db2.gz ULKJYGGBBKAYHK-LLVKDONJSA-N 1 0 387.274 2.130 20 0 GEADRO C[C@H]1[C@@H](NC(=O)COc2cccc(I)c2)CCC[N@@H+]1C ZINC000469762215 532511741 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GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)C[C@H]21 ZINC000374595342 532513136 /nfs/dbraw/zinc/51/31/36/532513136.db2.gz OVCCJPNECKGJLA-IACUBPJLSA-N 1 0 376.400 2.180 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1F ZINC000594530675 532513453 /nfs/dbraw/zinc/51/34/53/532513453.db2.gz MLZWPWXVYSGISH-BXKDBHETSA-N 1 0 378.853 2.156 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC000237919099 532513889 /nfs/dbraw/zinc/51/38/89/532513889.db2.gz CDWXQKGGFCHZJE-CHWSQXEVSA-N 1 0 398.276 2.000 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)c2cccn2-c2cccc(I)c2)C1 ZINC000237924536 532513927 /nfs/dbraw/zinc/51/39/27/532513927.db2.gz PVPUSMBCXCCXFW-GFCCVEGCSA-N 1 0 381.217 2.255 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000469863912 532514303 /nfs/dbraw/zinc/51/43/03/532514303.db2.gz IRVHJMVFBSROTG-NPMABZOXSA-N 1 0 379.353 2.490 20 0 GEADRO Cc1cn2c(n1)CN(C(=O)c1cc(Br)c3c(c1)OCCO3)CC2 ZINC000374691630 532515032 /nfs/dbraw/zinc/51/50/32/532515032.db2.gz DIIFIKPZPFQNFL-UHFFFAOYSA-N 1 0 378.226 2.381 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 ZINC000564080931 532515240 /nfs/dbraw/zinc/51/52/40/532515240.db2.gz HOJKNWBFPABZDE-PUAOIOHZSA-N 1 0 382.551 2.148 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000296353424 532516022 /nfs/dbraw/zinc/51/60/22/532516022.db2.gz RGBXKKWYCHLWON-UHFFFAOYSA-N 1 0 376.258 2.022 20 0 GEADRO Ic1ccccc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000594654624 532516643 /nfs/dbraw/zinc/51/66/43/532516643.db2.gz ZAODIBZWRRNYNE-LBPRGKRZSA-N 1 0 382.249 2.473 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000296373410 532517227 /nfs/dbraw/zinc/51/72/27/532517227.db2.gz HDCRAUXQFREBOQ-AWEZNQCLSA-N 1 0 387.571 2.239 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000521635475 532517295 /nfs/dbraw/zinc/51/72/95/532517295.db2.gz DJFPBZMGUGLAIN-UHFFFAOYSA-N 1 0 396.329 2.385 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000238071055 532517444 /nfs/dbraw/zinc/51/74/44/532517444.db2.gz SGBCJNVXOXGVJE-CYBMUJFWSA-N 1 0 378.523 2.167 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Br)cnn1C ZINC000296379839 532517471 /nfs/dbraw/zinc/51/74/71/532517471.db2.gz UACUOWHVJMJHSO-IUODEOHRSA-N 1 0 377.286 2.433 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652667606 532517994 /nfs/dbraw/zinc/51/79/94/532517994.db2.gz YHSOMSADZFJXDF-CYBMUJFWSA-N 1 0 396.329 2.002 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000652679582 532517996 /nfs/dbraw/zinc/51/79/96/532517996.db2.gz IRJASSOEGPHZKM-OAHLLOKOSA-N 1 0 381.929 2.499 20 0 GEADRO C[C@]1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCC[NH2+]1 ZINC000564213182 532518173 /nfs/dbraw/zinc/51/81/73/532518173.db2.gz HBKBZCPWQGTIJG-QGZVFWFLSA-N 1 0 395.301 2.163 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@H]1C ZINC000470003544 532518247 /nfs/dbraw/zinc/51/82/47/532518247.db2.gz RQAGZZGDPXVVIW-GXTWGEPZSA-N 1 0 383.286 2.291 20 0 GEADRO O=C([C@H]1CCCN(Cc2ccc(F)c(Br)c2)C1)N1CC[NH2+]CC1 ZINC000470019001 532518517 /nfs/dbraw/zinc/51/85/17/532518517.db2.gz CEBOCPCBEMKWNN-AWEZNQCLSA-N 1 0 384.293 2.232 20 0 GEADRO Brc1ccn2cc(CN3CC[NH+](C[C@H]4CCCO4)CC3)nc2c1 ZINC000685832922 532497620 /nfs/dbraw/zinc/49/76/20/532497620.db2.gz GGWLJCITNIYFEG-MRXNPFEDSA-N 1 0 379.302 2.393 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000236843470 532498069 /nfs/dbraw/zinc/49/80/69/532498069.db2.gz PBCZIMUNURHDHB-CABCVRRESA-N 1 0 387.571 2.091 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)Nc2nnc(-c3ccsc3)s2)CC1(C)C ZINC000282816114 532498508 /nfs/dbraw/zinc/49/85/08/532498508.db2.gz USVNZZZVUDOICA-UHFFFAOYSA-N 1 0 380.543 2.414 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236855579 532499157 /nfs/dbraw/zinc/49/91/57/532499157.db2.gz IJZYKFLUGAVFKO-OLZOCXBDSA-N 1 0 382.302 2.436 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000431606289 532518707 /nfs/dbraw/zinc/51/87/07/532518707.db2.gz DVWXQMSQSRRELL-JTQLQIEISA-N 1 0 376.259 2.450 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000296084235 532499832 /nfs/dbraw/zinc/49/98/32/532499832.db2.gz QRPMAMWMGQAKPO-GFCCVEGCSA-N 1 0 379.263 2.206 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000520897999 532499959 /nfs/dbraw/zinc/49/99/59/532499959.db2.gz UXZBNSQNBKWLML-UHFFFAOYSA-N 1 0 382.555 2.090 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236909561 532500101 /nfs/dbraw/zinc/50/01/01/532500101.db2.gz PCVUAOPDGJAMRZ-HIFRSBDPSA-N 1 0 382.302 2.436 20 0 GEADRO C[NH+]1CCN(C[C@H](O)CSc2ncnc3sc4c(c32)CCCC4)CC1 ZINC000563343000 532500218 /nfs/dbraw/zinc/50/02/18/532500218.db2.gz KCRBGJFAZVUHBD-ZDUSSCGKSA-N 1 0 378.567 2.271 20 0 GEADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000685840382 532500152 /nfs/dbraw/zinc/50/01/52/532500152.db2.gz IHJHBOKPQILSGK-UHFFFAOYSA-N 1 0 381.889 2.005 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282838160 532500751 /nfs/dbraw/zinc/50/07/51/532500751.db2.gz OPPBCRHFCFRPAJ-DYVFJYSZSA-N 1 0 387.929 2.401 20 0 GEADRO [NH3+]CCC1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000563339502 532500821 /nfs/dbraw/zinc/50/08/21/532500821.db2.gz SUJVXYPJKUCBSN-UHFFFAOYSA-N 1 0 383.286 2.350 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1Cl ZINC000236969949 532500931 /nfs/dbraw/zinc/50/09/31/532500931.db2.gz YSYXGPZMDQZROL-CHWSQXEVSA-N 1 0 387.933 2.193 20 0 GEADRO NC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000564858937 532535429 /nfs/dbraw/zinc/53/54/29/532535429.db2.gz AUYPHIZHOXXWGD-ADEWGFFLSA-N 1 0 391.693 2.086 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)[C@@H](C)C1 ZINC000246232319 532535491 /nfs/dbraw/zinc/53/54/91/532535491.db2.gz GHKMXIRQYLHXKZ-LRDDRELGSA-N 1 0 388.917 2.477 20 0 GEADRO NC(=O)c1cccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000432335072 532535662 /nfs/dbraw/zinc/53/56/62/532535662.db2.gz JHHGFNDLTSFUPZ-INIZCTEOSA-N 1 0 388.265 2.443 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000246249219 532535730 /nfs/dbraw/zinc/53/57/30/532535730.db2.gz SKLUEVWSOLHMMU-MEBBXXQBSA-N 1 0 391.896 2.398 20 0 GEADRO CN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000525861631 532536056 /nfs/dbraw/zinc/53/60/56/532536056.db2.gz YTWYMSPYRICHFB-CQSZACIVSA-N 1 0 385.917 2.294 20 0 GEADRO Cn1cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc(Br)c1=O ZINC000296706718 532536040 /nfs/dbraw/zinc/53/60/40/532536040.db2.gz VJLGHBKCSVOGST-MRXNPFEDSA-N 1 0 383.290 2.097 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000630946175 532536258 /nfs/dbraw/zinc/53/62/58/532536258.db2.gz QYSULSBSCNDJAT-UHFFFAOYSA-N 1 0 379.448 2.096 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000470829138 532536650 /nfs/dbraw/zinc/53/66/50/532536650.db2.gz BCJPZIFIUCSZOE-IUODEOHRSA-N 1 0 382.302 2.025 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1ccc2cncc(Br)c2n1 ZINC000630934236 532537010 /nfs/dbraw/zinc/53/70/10/532537010.db2.gz YCMOBTDNMHAILE-UHFFFAOYSA-N 1 0 381.274 2.043 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246293525 532537185 /nfs/dbraw/zinc/53/71/85/532537185.db2.gz INPZILDWSGHUKR-GXTWGEPZSA-N 1 0 384.523 2.172 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000564933948 532538214 /nfs/dbraw/zinc/53/82/14/532538214.db2.gz VCYLXHZELWEFBM-GFCCVEGCSA-N 1 0 394.686 2.010 20 0 GEADRO Cc1cc(Br)c(O)c(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000564931660 532538226 /nfs/dbraw/zinc/53/82/26/532538226.db2.gz LNHYSAAOGTVUOA-JTQLQIEISA-N 1 0 380.246 2.059 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC1CC(O)C1 ZINC000296748211 532539343 /nfs/dbraw/zinc/53/93/43/532539343.db2.gz KHEWLLJTXGOPQL-BZUNDVKYSA-N 1 0 385.302 2.165 20 0 GEADRO C[C@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000246471389 532539828 /nfs/dbraw/zinc/53/98/28/532539828.db2.gz OCCRVGQWXVJDFC-NWDGAFQWSA-N 1 0 385.306 2.390 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000564951295 532539863 /nfs/dbraw/zinc/53/98/63/532539863.db2.gz WABMMLYWGAKJSR-NSHDSACASA-N 1 0 398.248 2.382 20 0 GEADRO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595021032 532540658 /nfs/dbraw/zinc/54/06/58/532540658.db2.gz WMZNDYUDFDYSKC-GDBMZVCRSA-N 1 0 385.293 2.114 20 0 GEADRO CCC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000296772794 532540639 /nfs/dbraw/zinc/54/06/39/532540639.db2.gz MUBRGRHODNUIKA-MRXNPFEDSA-N 1 0 384.318 2.166 20 0 GEADRO C[C@@H](C[NH2+][C@H]1CCc2ccc(I)cc21)S(C)(=O)=O ZINC000595033859 532540894 /nfs/dbraw/zinc/54/08/94/532540894.db2.gz DZBWIEJPQMIPAK-ZANVPECISA-N 1 0 379.263 2.301 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000246513457 532540895 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NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccncc2Br)C1 ZINC000631070336 532542774 /nfs/dbraw/zinc/54/27/74/532542774.db2.gz UTMQFSRBYBKQET-CYBMUJFWSA-N 1 0 375.270 2.312 20 0 GEADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000595057296 532542864 /nfs/dbraw/zinc/54/28/64/532542864.db2.gz WNSSDZHFXKGMRG-NSHDSACASA-N 1 0 386.290 2.284 20 0 GEADRO CN1C(=O)CC[C@H]([NH2+][C@H]2CCc3ccc(I)cc32)C1=O ZINC000595043517 532542974 /nfs/dbraw/zinc/54/29/74/532542974.db2.gz GLWVMORSBJNSOA-STQMWFEESA-N 1 0 384.217 2.016 20 0 GEADRO O[C@@H]1C[C@H]2CN(Cc3ncc(-c4cccc(Br)c4)o3)CC[N@@H+]2C1 ZINC000653826441 532543037 /nfs/dbraw/zinc/54/30/37/532543037.db2.gz CGRVCBRRQQCCJL-LSDHHAIUSA-N 1 0 378.270 2.355 20 0 GEADRO C[C@H](NC(=O)[C@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000653824999 532543284 /nfs/dbraw/zinc/54/32/84/532543284.db2.gz PGVJWGOPONSIFK-NZBPQXDJSA-N 1 0 386.323 2.310 20 0 GEADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000375245908 532543735 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COC(=O)CCN1CC[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)C1=O ZINC000594712150 532522191 /nfs/dbraw/zinc/52/21/91/532522191.db2.gz ZKCGPBKIQCQZRW-KGLIPLIRSA-N 1 0 397.269 2.026 20 0 GEADRO CCn1ccnc1CNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000296472824 532522625 /nfs/dbraw/zinc/52/26/25/532522625.db2.gz JPZSYVMVNJJMAW-UHFFFAOYSA-N 1 0 375.479 2.490 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1nnc(-c2cccc(F)c2)s1 ZINC000374911793 532523180 /nfs/dbraw/zinc/52/31/80/532523180.db2.gz LMBRIDDQFZBMKC-RYUDHWBXSA-N 1 0 384.502 2.276 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)[C@H]1CCOC1 ZINC000246897160 532545025 /nfs/dbraw/zinc/54/50/25/532545025.db2.gz FCDBSWQJKTUIHS-SGMGOOAPSA-N 1 0 391.249 2.046 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000283174015 532523846 /nfs/dbraw/zinc/52/38/46/532523846.db2.gz PRLVOEMUDDQVHZ-AWEZNQCLSA-N 1 0 397.313 2.390 20 0 GEADRO Cc1csc([C@@H](C)CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000283202773 532524728 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O=C(NC[C@@H](O)COc1ccccc1Br)c1ccc2c(c1)C[NH2+]C2 ZINC000470365574 532526534 /nfs/dbraw/zinc/52/65/34/532526534.db2.gz PSMIPRMMIDBLPQ-OAHLLOKOSA-N 1 0 391.265 2.222 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cccc(S(N)(=O)=O)c1 ZINC000374989946 532526602 /nfs/dbraw/zinc/52/66/02/532526602.db2.gz RFVDWQLYILCWLF-OCCSQVGLSA-N 1 0 380.901 2.312 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000524048580 532527821 /nfs/dbraw/zinc/52/78/21/532527821.db2.gz RMOFCCPNXUAWBS-HUUCEWRRSA-N 1 0 396.285 2.139 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000524047143 532527860 /nfs/dbraw/zinc/52/78/60/532527860.db2.gz YTEYFLNHZBIIKO-HUUCEWRRSA-N 1 0 387.571 2.138 20 0 GEADRO C[C@H](NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)[C@H]1CCC[NH2+]C1 ZINC000564553520 532527948 /nfs/dbraw/zinc/52/79/48/532527948.db2.gz UZKQWMCYOZGWBD-SLEUVZQESA-N 1 0 385.917 2.198 20 0 GEADRO COCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246006378 532528714 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GEADRO O=C(NCCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccc(Br)cc1 ZINC000653082886 532530307 /nfs/dbraw/zinc/53/03/07/532530307.db2.gz HUXLYXCIAVDXGR-JKSUJKDBSA-N 1 0 394.313 2.216 20 0 GEADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653084376 532530484 /nfs/dbraw/zinc/53/04/84/532530484.db2.gz CWRUFIVDBDTJPP-UONOGXRCSA-N 1 0 390.285 2.381 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2sccc2OC)[C@@H](C)C1 ZINC000246074265 532531191 /nfs/dbraw/zinc/53/11/91/532531191.db2.gz YNLDJRHJKGYRGM-KBPBESRZSA-N 1 0 376.544 2.172 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Cc1cc(Br)ccc1F ZINC000564755633 532531342 /nfs/dbraw/zinc/53/13/42/532531342.db2.gz NTWMHBXQADFMPQ-UHFFFAOYSA-N 1 0 388.325 2.473 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000470590931 532532499 /nfs/dbraw/zinc/53/24/99/532532499.db2.gz MXGRBMGRJKLIHJ-UHFFFAOYSA-N 1 0 382.302 2.212 20 0 GEADRO CC(=O)N1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000432330664 532533524 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/nfs/dbraw/zinc/54/72/60/532547260.db2.gz BDHSQHSEQGPZOB-UHFFFAOYSA-N 1 0 387.571 2.141 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375283619 532547328 /nfs/dbraw/zinc/54/73/28/532547328.db2.gz YUNIRULEJFIQCW-RHSMWYFYSA-N 1 0 380.286 2.343 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375283621 532547373 /nfs/dbraw/zinc/54/73/73/532547373.db2.gz YUNIRULEJFIQCW-YOEHRIQHSA-N 1 0 380.286 2.343 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000654071473 532547471 /nfs/dbraw/zinc/54/74/71/532547471.db2.gz WTHZPYSXCHVTFF-AOOOYVTPSA-N 1 0 384.263 2.046 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000247449588 532548118 /nfs/dbraw/zinc/54/81/18/532548118.db2.gz ZAIDASWLRLFMOP-IHRRRGAJSA-N 1 0 394.313 2.388 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000527289799 532548920 /nfs/dbraw/zinc/54/89/20/532548920.db2.gz KJKRSJGWTMWMMV-UHFFFAOYSA-N 1 0 385.555 2.312 20 0 GEADRO NC(=O)[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(Br)cc1 ZINC000527289331 532549097 /nfs/dbraw/zinc/54/90/97/532549097.db2.gz ILHUKNJWKQTFTP-CYBMUJFWSA-N 1 0 381.299 2.110 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(Br)cc1 ZINC000527289332 532549278 /nfs/dbraw/zinc/54/92/78/532549278.db2.gz ILHUKNJWKQTFTP-ZDUSSCGKSA-N 1 0 381.299 2.110 20 0 GEADRO CN(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000247974185 532549277 /nfs/dbraw/zinc/54/92/77/532549277.db2.gz VVROOFACWJFJOH-UHFFFAOYSA-N 1 0 393.962 2.014 20 0 GEADRO O=C1N=NCN1C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000565165707 532549474 /nfs/dbraw/zinc/54/94/74/532549474.db2.gz QYZWXTGNAPONRI-CYBMUJFWSA-N 1 0 387.267 2.367 20 0 GEADRO C[C@@]1(CN2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000262032292 532582402 /nfs/dbraw/zinc/58/24/02/532582402.db2.gz OEMUSYCLCFGFSC-GOSISDBHSA-N 1 0 395.345 2.005 20 0 GEADRO O=S1(=O)CC[C@@H](C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)C1 ZINC000375837968 532582880 /nfs/dbraw/zinc/58/28/80/532582880.db2.gz HVBBVLKXFFSMBC-GOEBONIOSA-N 1 0 377.428 2.431 20 0 GEADRO CN1C(=O)[C@@H]2CN(Cc3ccc(Br)c4cccnc34)CCN2C1=O ZINC000375837884 532583394 /nfs/dbraw/zinc/58/33/94/532583394.db2.gz DHOLAJBGXYZDGV-AWEZNQCLSA-N 1 0 389.253 2.076 20 0 GEADRO C[C@]1(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]C1 ZINC000262057711 532583380 /nfs/dbraw/zinc/58/33/80/532583380.db2.gz QTLWPBAFWNJFHP-INIZCTEOSA-N 1 0 392.352 2.299 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)c(F)c1 ZINC000262043842 532583546 /nfs/dbraw/zinc/58/35/46/532583546.db2.gz QLMJYGUEFGGWHD-GFCCVEGCSA-N 1 0 398.198 2.154 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)ccc2s1 ZINC000262062444 532583922 /nfs/dbraw/zinc/58/39/22/532583922.db2.gz OCBNORGJIHGJOT-VXGBXAGGSA-N 1 0 382.507 2.449 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[C@H]1[NH3+] ZINC000262078703 532584258 /nfs/dbraw/zinc/58/42/58/532584258.db2.gz SYMPQDJZICPYRM-SWLSCSKDSA-N 1 0 394.313 2.388 20 0 GEADRO COc1ccc(Br)c(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000262068636 532584260 /nfs/dbraw/zinc/58/42/60/532584260.db2.gz RUMWIAIVOAVCNG-CQSZACIVSA-N 1 0 384.318 2.277 20 0 GEADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NCC1CC[NH2+]CC1 ZINC000297358234 532584860 /nfs/dbraw/zinc/58/48/60/532584860.db2.gz ZSQLXDJSKQMTAA-QFIPXVFZSA-N 1 0 387.343 2.453 20 0 GEADRO COCC1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC[NH2+]CC1 ZINC000262057885 532584973 /nfs/dbraw/zinc/58/49/73/532584973.db2.gz QWLGKOPJFZIXDW-UHFFFAOYSA-N 1 0 384.395 2.139 20 0 GEADRO O=C(c1ccccc1SCc1cscn1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655300093 532585181 /nfs/dbraw/zinc/58/51/81/532585181.db2.gz XTUODQBGUHOELS-LSDHHAIUSA-N 1 0 375.519 2.326 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@@H](C[NH2+]C)C3)ccc2s1 ZINC000262134382 532585540 /nfs/dbraw/zinc/58/55/40/532585540.db2.gz XEHAEQYTGPJXIP-LBPRGKRZSA-N 1 0 382.507 2.308 20 0 GEADRO C[C@]1(Br)C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000528860592 532585569 /nfs/dbraw/zinc/58/55/69/532585569.db2.gz IMUIDPQXEYVKLI-LHHMISFZSA-N 1 0 381.314 2.159 20 0 GEADRO O=C(CCSc1ccccc1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299454 532585732 /nfs/dbraw/zinc/58/57/32/532585732.db2.gz MZTJRVJYHWISBM-QWHCGFSZSA-N 1 0 385.327 2.209 20 0 GEADRO CC[NH2+]CC1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000262138503 532585892 /nfs/dbraw/zinc/58/58/92/532585892.db2.gz XNTQOSIFGRRXBX-UHFFFAOYSA-N 1 0 377.913 2.477 20 0 GEADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298262 532586193 /nfs/dbraw/zinc/58/61/93/532586193.db2.gz BSPGCXLHIATICC-UONOGXRCSA-N 1 0 383.286 2.127 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ncc(Br)cc1Br ZINC000566004616 532586638 /nfs/dbraw/zinc/58/66/38/532586638.db2.gz LJMHWZRKKMEVPU-XVKPBYJWSA-N 1 0 377.080 2.334 20 0 GEADRO C[NH+]1CCC(CCNC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000297402472 532587020 /nfs/dbraw/zinc/58/70/20/532587020.db2.gz ZPLAWPJWCPBZQJ-UHFFFAOYSA-N 1 0 381.278 2.345 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccc(Br)cc1 ZINC000375931128 532587035 /nfs/dbraw/zinc/58/70/35/532587035.db2.gz HVMVCRYMPBBBNR-UAGQMJEPSA-N 1 0 394.313 2.227 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655431170 532588102 /nfs/dbraw/zinc/58/81/02/532588102.db2.gz WIDFCNJKCYETDR-SJCJKPOMSA-N 1 0 381.270 2.226 20 0 GEADRO O=S(=O)(c1c(Cl)ccc2ccccc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262200738 532588540 /nfs/dbraw/zinc/58/85/40/532588540.db2.gz DARVCFRJSBOIJD-OAHLLOKOSA-N 1 0 379.913 2.161 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655420664 532588635 /nfs/dbraw/zinc/58/86/35/532588635.db2.gz BGXWZJXSBSOQRZ-SJKOYZFVSA-N 1 0 380.286 2.236 20 0 GEADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000297408081 532588661 /nfs/dbraw/zinc/58/86/61/532588661.db2.gz QCQJENCFVQLTSV-QMTHXVAHSA-N 1 0 386.265 2.046 20 0 GEADRO O=C(NCCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1cccc(Br)c1 ZINC000655431273 532588774 /nfs/dbraw/zinc/58/87/74/532588774.db2.gz AHEWJQYNIJUSID-CRAIPNDOSA-N 1 0 394.313 2.075 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655420662 532588824 /nfs/dbraw/zinc/58/88/24/532588824.db2.gz BGXWZJXSBSOQRZ-PXAZEXFGSA-N 1 0 380.286 2.236 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000375996660 532589661 /nfs/dbraw/zinc/58/96/61/532589661.db2.gz AEKWINWYJQQCBB-CYBMUJFWSA-N 1 0 385.302 2.295 20 0 GEADRO COC(=O)C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1ccc(SC)cc1 ZINC000262342819 532590177 /nfs/dbraw/zinc/59/01/77/532590177.db2.gz HFHQGWAQZBFQCG-CYBMUJFWSA-N 1 0 379.507 2.400 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000297450263 532590301 /nfs/dbraw/zinc/59/03/01/532590301.db2.gz JUEZIIYMTADPLW-AWEZNQCLSA-N 1 0 387.933 2.097 20 0 GEADRO CCc1nc([C@@H](C)NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cs1 ZINC000284409263 532590828 /nfs/dbraw/zinc/59/08/28/532590828.db2.gz NOBHBFSVJJITGL-YPMHNXCESA-N 1 0 380.539 2.363 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)c1 ZINC000376013080 532591162 /nfs/dbraw/zinc/59/11/62/532591162.db2.gz GJWGOQDSCUYIBS-ZFWWWQNUSA-N 1 0 386.901 2.279 20 0 GEADRO C[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655488438 532591343 /nfs/dbraw/zinc/59/13/43/532591343.db2.gz ZRTJRPOQCQJGOX-FLTUCWPJSA-N 1 0 398.345 2.237 20 0 GEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1occc1Br ZINC000434351055 532591861 /nfs/dbraw/zinc/59/18/61/532591861.db2.gz ABRGTDABVPVBNC-KRWDZBQOSA-N 1 0 379.254 2.409 20 0 GEADRO Cc1c(Br)cccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000566102820 532592574 /nfs/dbraw/zinc/59/25/74/532592574.db2.gz UYXUXTLGZSZUQG-WBVHZDCISA-N 1 0 394.313 2.134 20 0 GEADRO COC[C@]1(CNC(=O)COc2ccc(Br)cc2Cl)CCC[NH2+]1 ZINC000566102040 532592640 /nfs/dbraw/zinc/59/26/40/532592640.db2.gz HKSLEGKGSBPANV-OAHLLOKOSA-N 1 0 391.693 2.366 20 0 GEADRO O=C(NCc1nc2cc(Cl)ccc2s1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000566094684 532593241 /nfs/dbraw/zinc/59/32/41/532593241.db2.gz MFDOZEANUKDIMI-LLVKDONJSA-N 1 0 376.873 2.396 20 0 GEADRO NC(=O)c1cccc(CC[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000566108504 532593401 /nfs/dbraw/zinc/59/34/01/532593401.db2.gz BLYBWOATQHOIRW-INIZCTEOSA-N 1 0 393.281 2.120 20 0 GEADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376116026 532595922 /nfs/dbraw/zinc/59/59/22/532595922.db2.gz OZLVBXKWOLTDTB-JOYOIKCWSA-N 1 0 379.707 2.475 20 0 GEADRO Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H](C[NH3+])C(F)(F)F)CCCC2)cc1 ZINC000655511643 532594223 /nfs/dbraw/zinc/59/42/23/532594223.db2.gz IOSIUGHEQCABMD-CYBMUJFWSA-N 1 0 378.416 2.087 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCc1nccs1)c1ccsc1 ZINC000284478467 532594800 /nfs/dbraw/zinc/59/48/00/532594800.db2.gz HEJYOQLVMFIIJP-CQSZACIVSA-N 1 0 380.539 2.063 20 0 GEADRO Brc1ccc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c(N2CCOCC2)c1 ZINC000566137653 532594866 /nfs/dbraw/zinc/59/48/66/532594866.db2.gz ANQJTQLJCJAACW-AWEZNQCLSA-N 1 0 392.301 2.393 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)C1=O ZINC000566137336 532595046 /nfs/dbraw/zinc/59/50/46/532595046.db2.gz KGGUDBAQXSJJIF-MCIONIFRSA-N 1 0 381.929 2.316 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631965701 532570385 /nfs/dbraw/zinc/57/03/85/532570385.db2.gz GIOLTMYHDKLUTF-VXGBXAGGSA-N 1 0 391.331 2.453 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccccc2Br)CC[N@@H+]1C ZINC000283980649 532571503 /nfs/dbraw/zinc/57/15/03/532571503.db2.gz ZVRYDNJIIDJVEG-JSGCOSHPSA-N 1 0 382.302 2.006 20 0 GEADRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000565594051 532571519 /nfs/dbraw/zinc/57/15/19/532571519.db2.gz OSLLJSVBQRFLMH-LBPRGKRZSA-N 1 0 399.340 2.041 20 0 GEADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000565598519 532571754 /nfs/dbraw/zinc/57/17/54/532571754.db2.gz ZNFLWCHGTXOWRP-OLZOCXBDSA-N 1 0 376.906 2.161 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631993740 532572376 /nfs/dbraw/zinc/57/23/76/532572376.db2.gz YQUKIHJXAXZPJO-LRDDRELGSA-N 1 0 375.897 2.230 20 0 GEADRO COC[C@@H]1CN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000251857211 532572530 /nfs/dbraw/zinc/57/25/30/532572530.db2.gz NXPLCBGTTSJHJR-IOASZLSFSA-N 1 0 385.302 2.362 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cccc(C)c2Br)CC1 ZINC000528561522 532572637 /nfs/dbraw/zinc/57/26/37/532572637.db2.gz UEMPHHLUDODVBI-OAHLLOKOSA-N 1 0 382.346 2.442 20 0 GEADRO CN1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCC1=O ZINC000565712132 532573568 /nfs/dbraw/zinc/57/35/68/532573568.db2.gz MRGFIPPULJDVJT-RYUDHWBXSA-N 1 0 391.693 2.053 20 0 GEADRO C[C@@]12COC[C@@H]1C[N@H+](CC(=O)Nc1ccc(I)cc1)C2 ZINC000595759390 532573664 /nfs/dbraw/zinc/57/36/64/532573664.db2.gz PDYPZGQJYSQZLK-XHDPSFHLSA-N 1 0 386.233 2.198 20 0 GEADRO CN1C(=O)C[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000284018083 532573807 /nfs/dbraw/zinc/57/38/07/532573807.db2.gz HRUHSXZKKWSYFH-KCTSRDHCSA-N 1 0 388.892 2.165 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc(C)c1Br ZINC000654890057 532574714 /nfs/dbraw/zinc/57/47/14/532574714.db2.gz HEPUJUCTVIUDDX-XBXGTLAGSA-N 1 0 382.302 2.461 20 0 GEADRO CO[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1Br ZINC000654928072 532575605 /nfs/dbraw/zinc/57/56/05/532575605.db2.gz WOSMMHFMQYOFDS-WMLDXEAASA-N 1 0 399.329 2.490 20 0 GEADRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ncsc2Br)CC[N@@H+]1C ZINC000632027249 532575637 /nfs/dbraw/zinc/57/56/37/532575637.db2.gz WRHWLKDPUNXJDB-VHSXEESVSA-N 1 0 382.349 2.150 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1c(F)cncc1Br ZINC000632026278 532575861 /nfs/dbraw/zinc/57/58/61/532575861.db2.gz BJAPYBKWMUKEPY-SWHYSGLUSA-N 1 0 386.265 2.307 20 0 GEADRO O=C(Nc1ccc(I)cc1)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000595914391 532576076 /nfs/dbraw/zinc/57/60/76/532576076.db2.gz DWUQLWPITJPUHA-VIFPVBQESA-N 1 0 382.205 2.344 20 0 GEADRO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000375687591 532576289 /nfs/dbraw/zinc/57/62/89/532576289.db2.gz KAGRJZOQJAIKRH-OLZOCXBDSA-N 1 0 386.901 2.374 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261651638 532576503 /nfs/dbraw/zinc/57/65/03/532576503.db2.gz DMSIQSSPYRUPKO-MRAWALMUSA-N 1 0 396.329 2.386 20 0 GEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3C[C@]3(C)Br)cc2)CC1 ZINC000528701007 532577094 /nfs/dbraw/zinc/57/70/94/532577094.db2.gz IHGOITUWCZKVNW-WMZOPIPTSA-N 1 0 396.329 2.425 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccc(Br)cc1 ZINC000261740955 532577160 /nfs/dbraw/zinc/57/71/60/532577160.db2.gz LWGONKFCXPFJKE-GOSISDBHSA-N 1 0 394.313 2.140 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[NH2+]C[C@H]2c2nccn2C)c(Br)c1 ZINC000261744619 532577381 /nfs/dbraw/zinc/57/73/81/532577381.db2.gz LDCIDHFRFGHVCA-HNNXBMFYSA-N 1 0 392.301 2.076 20 0 GEADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000261739275 532577520 /nfs/dbraw/zinc/57/75/20/532577520.db2.gz KKSUMVHGSPCOPG-CXAGYDPISA-N 1 0 388.917 2.115 20 0 GEADRO CCCc1nc(C)c(NC(=O)C(=O)NCC2(SC)CC[NH+](C)CC2)s1 ZINC000565804680 532577740 /nfs/dbraw/zinc/57/77/40/532577740.db2.gz GUPBKOPIXVPYEY-UHFFFAOYSA-N 1 0 384.571 2.286 20 0 GEADRO C[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000261743758 532578016 /nfs/dbraw/zinc/57/80/16/532578016.db2.gz KXIHJXLKBWCQLV-RISCZKNCSA-N 1 0 387.265 2.302 20 0 GEADRO Cc1nc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)ccc1I ZINC000595931173 532578291 /nfs/dbraw/zinc/57/82/91/532578291.db2.gz GMQVEQULUUFGLK-VIFPVBQESA-N 1 0 397.220 2.047 20 0 GEADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261981778 532579520 /nfs/dbraw/zinc/57/95/20/532579520.db2.gz CSAYLXUQMNCHBQ-HNNXBMFYSA-N 1 0 396.329 2.356 20 0 GEADRO C[C@]1(CO)C[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@]1(C)CO ZINC000528753778 532579507 /nfs/dbraw/zinc/57/95/07/532579507.db2.gz XBDKYBSJHOHBHQ-CALCHBBNSA-N 1 0 385.302 2.091 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Br ZINC000261949292 532579672 /nfs/dbraw/zinc/57/96/72/532579672.db2.gz JZSBTYFQJBNHDC-GFCCVEGCSA-N 1 0 380.208 2.015 20 0 GEADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000375721724 532579846 /nfs/dbraw/zinc/57/98/46/532579846.db2.gz WQWYUSLEEWBDNU-LBPRGKRZSA-N 1 0 395.301 2.258 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c(Br)c1 ZINC000565833563 532579785 /nfs/dbraw/zinc/57/97/85/532579785.db2.gz JRQLKLSORQALDW-MNOVXSKESA-N 1 0 377.304 2.254 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[C@H]1F ZINC000595949500 532579971 /nfs/dbraw/zinc/57/99/71/532579971.db2.gz WFIHRUVYSPUXJL-SOHPYSCWSA-N 1 0 391.306 2.235 20 0 GEADRO O=C(Nc1nc2cc(Br)ccn2n1)NC1CC[NH+](C2CC2)CC1 ZINC000297294502 532580118 /nfs/dbraw/zinc/58/01/18/532580118.db2.gz HSLNZWOWAGLDRS-UHFFFAOYSA-N 1 0 379.262 2.240 20 0 GEADRO O=C(NCCc1ccc(I)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000595948635 532580318 /nfs/dbraw/zinc/58/03/18/532580318.db2.gz SOAJKXNXRKYDNR-CABCVRRESA-N 1 0 384.261 2.481 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)C[C@H]1CCCC(F)(F)C1 ZINC000632129358 532580291 /nfs/dbraw/zinc/58/02/91/532580291.db2.gz INSHNXHFRSZFHB-ZJIFWQFVSA-N 1 0 380.501 2.325 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ncsc1Br ZINC000632255152 532595437 /nfs/dbraw/zinc/59/54/37/532595437.db2.gz LAQYAYWYRVICCS-WDEREUQCSA-N 1 0 396.376 2.445 20 0 GEADRO CC(C)([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)c1ccccc1 ZINC000472675465 532580596 /nfs/dbraw/zinc/58/05/96/532580596.db2.gz BPPUUZXWQJWUJE-UHFFFAOYSA-N 1 0 381.885 2.451 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284177338 532581809 /nfs/dbraw/zinc/58/18/09/532581809.db2.gz GNPBIFLIKXLYLX-HOTGVXAUSA-N 1 0 394.313 2.151 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1C[C@@]13CC[NH2+]C3)C2 ZINC000595997041 532581861 /nfs/dbraw/zinc/58/18/61/532581861.db2.gz JWZKDVWDGGIHBZ-BJOHPYRUSA-N 1 0 385.283 2.139 20 0 GEADRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc1Cl ZINC000297943089 532613640 /nfs/dbraw/zinc/61/36/40/532613640.db2.gz SCGYLVUEKAEPPC-VIFPVBQESA-N 1 0 376.682 2.416 20 0 GEADRO C[C@@H]1COCCN1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474363853 532613933 /nfs/dbraw/zinc/61/39/33/532613933.db2.gz XQMFHBNNNWAQCT-OAHLLOKOSA-N 1 0 398.345 2.096 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCOC[C@H]1CC(F)F ZINC000376642864 532622038 /nfs/dbraw/zinc/62/20/38/532622038.db2.gz VSDFUHXINUKVHX-CQSZACIVSA-N 1 0 377.501 2.414 20 0 GEADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000263249426 532622053 /nfs/dbraw/zinc/62/20/53/532622053.db2.gz PSEDKVAGTYLTIF-YOEHRIQHSA-N 1 0 382.302 2.203 20 0 GEADRO COc1cc(CN2C[C@H](C[NH3+])C[C@H]2C)cc(I)c1OC ZINC000435373380 532615271 /nfs/dbraw/zinc/61/52/71/532615271.db2.gz MXSCXXDXZAHPDS-PWSUYJOCSA-N 1 0 390.265 2.478 20 0 GEADRO C[C@H](c1ncc(Br)cn1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376517593 532615756 /nfs/dbraw/zinc/61/57/56/532615756.db2.gz KJQVUSJCMIEXMA-FMKPAKJESA-N 1 0 382.350 2.258 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2cccc(Br)c2C)C1 ZINC000656343423 532615762 /nfs/dbraw/zinc/61/57/62/532615762.db2.gz NOZRYRDWUCHZCC-CQSZACIVSA-N 1 0 396.329 2.222 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000656343779 532616092 /nfs/dbraw/zinc/61/60/92/532616092.db2.gz RAYGJRCFXOQRJN-BETUJISGSA-N 1 0 386.323 2.499 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000297982247 532616268 /nfs/dbraw/zinc/61/62/68/532616268.db2.gz WUAVPEIEHBPBFA-UHFFFAOYSA-N 1 0 390.347 2.268 20 0 GEADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)[C@H]1C ZINC000474613220 532622144 /nfs/dbraw/zinc/62/21/44/532622144.db2.gz LSDLATLDYBHPTJ-XEZPLFJOSA-N 1 0 388.917 2.186 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccncc1I ZINC000376563235 532618851 /nfs/dbraw/zinc/61/88/51/532618851.db2.gz RYEOZCIVLYBVDF-RISCZKNCSA-N 1 0 385.249 2.385 20 0 GEADRO O=C(CCNC(=O)N1CC[NH+]2CCC1CC2)Nc1ccc(Br)cc1 ZINC000376597258 532619882 /nfs/dbraw/zinc/61/98/82/532619882.db2.gz IIPPKEXQWRRCQX-UHFFFAOYSA-N 1 0 395.301 2.267 20 0 GEADRO O=C(CC[NH2+]C[C@H](O)COc1ccccc1Br)Nc1cccnc1 ZINC000566620199 532620726 /nfs/dbraw/zinc/62/07/26/532620726.db2.gz RVIZTWJRLVXYMF-AWEZNQCLSA-N 1 0 394.269 2.202 20 0 GEADRO C[C@@]([NH3+])(C(=O)NC[C@H](O)COc1ccccc1)c1ccc(Br)cc1 ZINC000566165998 532596382 /nfs/dbraw/zinc/59/63/82/532596382.db2.gz GZAGYVAORRSTLG-YJBOKZPZSA-N 1 0 393.281 2.179 20 0 GEADRO COc1ncc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1Cl ZINC000284499008 532596721 /nfs/dbraw/zinc/59/67/21/532596721.db2.gz VOCUXMBHDYURGJ-GFCCVEGCSA-N 1 0 384.885 2.360 20 0 GEADRO COc1ccc(Br)c(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000284507987 532597828 /nfs/dbraw/zinc/59/78/28/532597828.db2.gz DROCGMKXGXZYQM-GJZGRUSLSA-N 1 0 384.274 2.395 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000262710757 532598281 /nfs/dbraw/zinc/59/82/81/532598281.db2.gz CNFKBCHRWFVJSE-PVSQZPHNSA-N 1 0 387.343 2.451 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529379802 532598318 /nfs/dbraw/zinc/59/83/18/532598318.db2.gz UJUHUZSTBCMPNI-GFCCVEGCSA-N 1 0 376.682 2.232 20 0 GEADRO CCOCC[C@H](O)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000434632926 532598266 /nfs/dbraw/zinc/59/82/66/532598266.db2.gz CBWROSLKNXLHGG-HNNXBMFYSA-N 1 0 389.309 2.493 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000529375354 532598622 /nfs/dbraw/zinc/59/86/22/532598622.db2.gz GRRYDZJYHCODQC-GJZGRUSLSA-N 1 0 386.265 2.423 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000529376940 532598680 /nfs/dbraw/zinc/59/86/80/532598680.db2.gz OZTAKYONVYPFRJ-QWRGUYRKSA-N 1 0 378.420 2.039 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(c2ccc(I)cn2)CCO1 ZINC000596566011 532598939 /nfs/dbraw/zinc/59/89/39/532598939.db2.gz JUDJPEJRCHDAHD-CYBMUJFWSA-N 1 0 375.254 2.233 20 0 GEADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000262766756 532599135 /nfs/dbraw/zinc/59/91/35/532599135.db2.gz LBLPQRNBEKFGLZ-CYBMUJFWSA-N 1 0 390.933 2.361 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(F)c(F)cc1I ZINC000262768110 532599236 /nfs/dbraw/zinc/59/92/36/532599236.db2.gz LDRKJRDBRFKDJW-JGVFFNPUSA-N 1 0 380.176 2.392 20 0 GEADRO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000262747811 532599360 /nfs/dbraw/zinc/59/93/60/532599360.db2.gz AXZKHZSPULFUFD-OAHLLOKOSA-N 1 0 381.274 2.191 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000262766680 532599426 /nfs/dbraw/zinc/59/94/26/532599426.db2.gz KXGRPTHGBXYGKR-GXTWGEPZSA-N 1 0 378.922 2.405 20 0 GEADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ncsc1Br ZINC000632298109 532599558 /nfs/dbraw/zinc/59/95/58/532599558.db2.gz BJLWVQDBXRIVRE-JTQLQIEISA-N 1 0 382.349 2.152 20 0 GEADRO COc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)ccc1Br ZINC000284539818 532600096 /nfs/dbraw/zinc/60/00/96/532600096.db2.gz HHUWXSOIFHISRA-UONOGXRCSA-N 1 0 384.274 2.395 20 0 GEADRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000434713404 532600638 /nfs/dbraw/zinc/60/06/38/532600638.db2.gz ZZVBXRLNGRDWPH-KRWDZBQOSA-N 1 0 397.313 2.179 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c(Br)c1 ZINC000262791550 532600843 /nfs/dbraw/zinc/60/08/43/532600843.db2.gz RVNOMKRZHMOGRB-GWCFXTLKSA-N 1 0 377.304 2.254 20 0 GEADRO CSc1ccc(-c2csc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)n2)cc1 ZINC000262792289 532601408 /nfs/dbraw/zinc/60/14/08/532601408.db2.gz KYHAPGKBRCUFSH-LBPRGKRZSA-N 1 0 385.536 2.233 20 0 GEADRO CSC[C@@](C)(O)CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376240067 532602282 /nfs/dbraw/zinc/60/22/82/532602282.db2.gz MPJNXFOULKUCIB-PIMMBPRGSA-N 1 0 383.480 2.205 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000566243823 532602558 /nfs/dbraw/zinc/60/25/58/532602558.db2.gz CISWDTKCBSRKIM-LLVKDONJSA-N 1 0 382.274 2.008 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000473914755 532602960 /nfs/dbraw/zinc/60/29/60/532602960.db2.gz XAIWBJKFEHBMOL-GXTWGEPZSA-N 1 0 376.906 2.126 20 0 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[NH3+]CCC(=O)NC[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000436052734 532624813 /nfs/dbraw/zinc/62/48/13/532624813.db2.gz DAKQDBUOPUIVBN-CYBMUJFWSA-N 1 0 387.311 2.251 20 0 GEADRO O=S(=O)(c1cc2cc(Cl)ccc2s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376725122 532625520 /nfs/dbraw/zinc/62/55/20/532625520.db2.gz XQSAMNREQUYKDI-CQSZACIVSA-N 1 0 385.942 2.223 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1ncsc1Br ZINC000632561886 532625859 /nfs/dbraw/zinc/62/58/59/532625859.db2.gz ZTAZIWJOUDOZSF-NSHDSACASA-N 1 0 396.376 2.445 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCSCC2)c1 ZINC000474708136 532626117 /nfs/dbraw/zinc/62/61/17/532626117.db2.gz BSTYRUOTXNTONB-CHWSQXEVSA-N 1 0 385.555 2.043 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Br)cc(F)c2F)CC1 ZINC000566740527 532627087 /nfs/dbraw/zinc/62/70/87/532627087.db2.gz KRFXCJOEJLIXMF-UHFFFAOYSA-N 1 0 390.272 2.323 20 0 GEADRO C[NH+](C)CCCN(C(=O)CCc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000530721397 532627287 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O=C(Nc1cc(Br)ccn1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000285285583 532665879 /nfs/dbraw/zinc/66/58/79/532665879.db2.gz QWQXGCXCRHNTMD-KBPBESRZSA-N 1 0 383.290 2.343 20 0 GEADRO Cn1cc(C[C@H]2CCN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)C2)cn1 ZINC000567807737 532666025 /nfs/dbraw/zinc/66/60/25/532666025.db2.gz WSUSISUGECUEHM-FZKQIMNGSA-N 1 0 391.313 2.448 20 0 GEADRO O=C(CC[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1)Nc1ccccc1Br ZINC000298654735 532666826 /nfs/dbraw/zinc/66/68/26/532666826.db2.gz XRAVKXGCGGMGGA-UHFFFAOYSA-N 1 0 394.273 2.069 20 0 GEADRO CC(C)[C@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000298700393 532668681 /nfs/dbraw/zinc/66/86/81/532668681.db2.gz HKFGDROMTBTIJI-KRWDZBQOSA-N 1 0 389.949 2.024 20 0 GEADRO C[NH+](C)C1(C(=O)NCCCn2cc(Br)cn2)Cc2ccccc2C1 ZINC000377189957 532646989 /nfs/dbraw/zinc/64/69/89/532646989.db2.gz LJJNXFDDKIBHTG-UHFFFAOYSA-N 1 0 391.313 2.251 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCO1 ZINC000567267970 532647564 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383.945 2.436 20 0 GEADRO CCS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000264943086 532685022 /nfs/dbraw/zinc/68/50/22/532685022.db2.gz SOFMCAUDDCMZCC-UKRRQHHQSA-N 1 0 385.555 2.269 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@H](C)S1 ZINC000568691408 532685290 /nfs/dbraw/zinc/68/52/90/532685290.db2.gz ZTXPALQCVZYDCE-ZENOOKHLSA-N 1 0 383.945 2.411 20 0 GEADRO CC[NH+]1CCN(c2ccccc2NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638205577 532685511 /nfs/dbraw/zinc/68/55/11/532685511.db2.gz IFPPADFJYZSNEI-UHFFFAOYSA-N 1 0 380.539 2.150 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(c3nc(C4CC4)ncc3Br)C2)nn1 ZINC000663242765 532685486 /nfs/dbraw/zinc/68/54/86/532685486.db2.gz SVBBVTVVSCPQMG-LBPRGKRZSA-N 1 0 378.278 2.008 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000534291362 532670074 /nfs/dbraw/zinc/67/00/74/532670074.db2.gz VPXMLCJXYWWXNN-CHWSQXEVSA-N 1 0 379.302 2.372 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F 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Cc1csc([C@](O)(CC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C(F)(F)F)n1 ZINC000299192854 532701469 /nfs/dbraw/zinc/70/14/69/532701469.db2.gz YHVQWEHSSZPMGX-IAQYHMDHSA-N 1 0 379.448 2.440 20 0 GEADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CS(C)(=O)=O ZINC000299204933 532701501 /nfs/dbraw/zinc/70/15/01/532701501.db2.gz IEUBJXSMKDEAGM-UHFFFAOYSA-N 1 0 381.325 2.318 20 0 GEADRO Cn1ncc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)c1=O ZINC000381089269 532701682 /nfs/dbraw/zinc/70/16/82/532701682.db2.gz WFMXKIZPPPYRBI-CQSZACIVSA-N 1 0 377.286 2.477 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000663785439 532687040 /nfs/dbraw/zinc/68/70/40/532687040.db2.gz ZMRFPXJJYIBQSY-KCXAZCMYSA-N 1 0 384.318 2.087 20 0 GEADRO CO[C@H](C[NH2+]C[C@@H](O)COc1ccccc1Br)C1CCOCC1 ZINC000638769839 532687151 /nfs/dbraw/zinc/68/71/51/532687151.db2.gz UKRMVJAWKPTNOD-RHSMWYFYSA-N 1 0 388.302 2.220 20 0 GEADRO C[C@@H](CNC(=O)c1[nH]c2ccccc2c1Br)N1CC[NH+](C)CC1 ZINC000265037081 532687514 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GEADRO CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000298998635 532689892 /nfs/dbraw/zinc/68/98/92/532689892.db2.gz LTCKUBQMQUVRLX-UHFFFAOYSA-N 1 0 383.290 2.171 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000569183304 532690642 /nfs/dbraw/zinc/69/06/42/532690642.db2.gz MEPMCYFTPTZQLZ-HNNXBMFYSA-N 1 0 380.432 2.072 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000569174538 532691219 /nfs/dbraw/zinc/69/12/19/532691219.db2.gz YVUOARVAWPYRJT-CYBMUJFWSA-N 1 0 384.318 2.254 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)Cc1ccco1 ZINC000569693719 532703463 /nfs/dbraw/zinc/70/34/63/532703463.db2.gz YKGCKYZTIBYFCO-DZGCQCFKSA-N 1 0 384.270 2.223 20 0 GEADRO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[C@@H](CN2CCOCC2)C1 ZINC000266149274 532705194 /nfs/dbraw/zinc/70/51/94/532705194.db2.gz FERBYDIGKYPBSS-JTQLQIEISA-N 1 0 385.338 2.398 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)C1 ZINC000666923682 532706107 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HWVIDTTTYFHVNB-QWRGUYRKSA-N 1 0 377.304 2.124 20 0 GEADRO Cn1cnc(CC[NH2+]Cc2c(Br)cncc2Br)n1 ZINC000394555784 532709935 /nfs/dbraw/zinc/70/99/35/532709935.db2.gz GRXNJMCYPSVLHL-UHFFFAOYSA-N 1 0 375.068 2.067 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000668378899 532710346 /nfs/dbraw/zinc/71/03/46/532710346.db2.gz XVKMABAPQUZJFE-CVEARBPZSA-N 1 0 385.277 2.188 20 0 GEADRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000395235263 532711527 /nfs/dbraw/zinc/71/15/27/532711527.db2.gz WYUFGWQWUADPTK-SMDDNHRTSA-N 1 0 388.249 2.323 20 0 GEADRO Cc1oc(Br)cc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000396568486 532711598 /nfs/dbraw/zinc/71/15/98/532711598.db2.gz YRKNPSWUYOEVDI-JSGCOSHPSA-N 1 0 398.301 2.071 20 0 GEADRO COC(=O)c1nscc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000440357945 532711573 /nfs/dbraw/zinc/71/15/73/532711573.db2.gz OFGXCPDEITXLGC-CYBMUJFWSA-N 1 0 383.495 2.031 20 0 GEADRO COc1cc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc(Br)c1OC ZINC000643986286 532711877 /nfs/dbraw/zinc/71/18/77/532711877.db2.gz WBTPVNLSEXEOCB-JTQLQIEISA-N 1 0 393.228 2.327 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)C2 ZINC000669026967 532712180 /nfs/dbraw/zinc/71/21/80/532712180.db2.gz LAWJFOVBGXJCSD-UHFFFAOYSA-N 1 0 394.313 2.200 20 0 GEADRO COC[C@@]1(CNC(=O)N2CCc3ccc(Br)cc3C2)CCC[NH2+]1 ZINC000573786253 532712245 /nfs/dbraw/zinc/71/22/45/532712245.db2.gz OETHBRQKVRLOLN-KRWDZBQOSA-N 1 0 382.302 2.285 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1Br ZINC000440361622 532712623 /nfs/dbraw/zinc/71/26/23/532712623.db2.gz UZCBYQXDINTLBL-QWRGUYRKSA-N 1 0 377.304 2.124 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000440417168 532713002 /nfs/dbraw/zinc/71/30/02/532713002.db2.gz XKAHEOKIFZGVTD-CMPLNLGQSA-N 1 0 377.304 2.124 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000285850246 532713141 /nfs/dbraw/zinc/71/31/41/532713141.db2.gz DNIGOWXXQCBLEP-VHSXEESVSA-N 1 0 380.436 2.186 20 0 GEADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000440446485 532714433 /nfs/dbraw/zinc/71/44/33/532714433.db2.gz UNCKSCSSVVEITO-ZDUSSCGKSA-N 1 0 386.411 2.365 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1Br ZINC000494172781 532714461 /nfs/dbraw/zinc/71/44/61/532714461.db2.gz YGPOJODEXOSBDN-QWRGUYRKSA-N 1 0 383.290 2.365 20 0 GEADRO O=C(/C=C/c1cc(Br)ccc1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000285866187 532715253 /nfs/dbraw/zinc/71/52/53/532715253.db2.gz BGUDBAHIXDJZHX-NTHKTCTLSA-N 1 0 382.277 2.108 20 0 GEADRO Cn1cc(C[NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)c(=O)n(C)c1=O ZINC000494294481 532715415 /nfs/dbraw/zinc/71/54/15/532715415.db2.gz ZUJNDBGACUZQGN-HNNXBMFYSA-N 1 0 392.297 2.260 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2cccc(I)c2)CCCCC1 ZINC000440524665 532716238 /nfs/dbraw/zinc/71/62/38/532716238.db2.gz FHVHJJDFIYWUFA-UHFFFAOYSA-N 1 0 394.278 2.231 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C[N@@H+]1C1CC1 ZINC000670495353 532717254 /nfs/dbraw/zinc/71/72/54/532717254.db2.gz FCJOYLDUBMPQBV-SMDDNHRTSA-N 1 0 384.307 2.394 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3ccc(Cl)cc3Cl)[C@H]2C1 ZINC000670496149 532717304 /nfs/dbraw/zinc/71/73/04/532717304.db2.gz GUMOISJINTYXBJ-BBRMVZONSA-N 1 0 384.307 2.205 20 0 GEADRO CCOC(=O)CCCS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000609707414 532717334 /nfs/dbraw/zinc/71/73/34/532717334.db2.gz OGBWLKDQQWMZIL-UHFFFAOYSA-N 1 0 388.555 2.223 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cn1C ZINC000575323076 532720318 /nfs/dbraw/zinc/72/03/18/532720318.db2.gz CYYUIGNWQNCWIE-CYBMUJFWSA-N 1 0 397.269 2.104 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cs1 ZINC000299475720 532720234 /nfs/dbraw/zinc/72/02/34/532720234.db2.gz IKDKVKDURCREAR-UHFFFAOYSA-N 1 0 397.547 2.197 20 0 GEADRO O=S(=O)(NCCN1CCCOCC1)c1cccc(Br)c1Cl ZINC000575337558 532720387 /nfs/dbraw/zinc/72/03/87/532720387.db2.gz WYEBBFFHPKOJIP-UHFFFAOYSA-N 1 0 397.722 2.103 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000266423236 532720478 /nfs/dbraw/zinc/72/04/78/532720478.db2.gz JFVHFZBYYWCXPB-LBPRGKRZSA-N 1 0 391.921 2.225 20 0 GEADRO CC(C)[NH+]1CCC(N(C)C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000497353537 532721719 /nfs/dbraw/zinc/72/17/19/532721719.db2.gz KWCKQINTZVEDHM-UHFFFAOYSA-N 1 0 384.318 2.332 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCc1ccccc1Br)C[NH+]1CCCC1 ZINC000576126907 532723128 /nfs/dbraw/zinc/72/31/28/532723128.db2.gz CCSVNPIUSQPEKK-UHFFFAOYSA-N 1 0 396.329 2.304 20 0 GEADRO C[NH+]1CCC2(CC1)CN(Cc1cn3cc(Br)ccc3n1)CCO2 ZINC000646104046 532723172 /nfs/dbraw/zinc/72/31/72/532723172.db2.gz YBOCORDQODWQDQ-UHFFFAOYSA-N 1 0 379.302 2.393 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2cc(C)c(Br)cc2C)[C@@H](C[NH3+])C1 ZINC000440858623 532723597 /nfs/dbraw/zinc/72/35/97/532723597.db2.gz LJUYQOYJUUMOAX-OLZOCXBDSA-N 1 0 391.331 2.193 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612985687 532724188 /nfs/dbraw/zinc/72/41/88/532724188.db2.gz MSCWNSWQLZAFQF-HOCLYGCPSA-N 1 0 396.329 2.041 20 0 GEADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612979858 532724471 /nfs/dbraw/zinc/72/44/71/532724471.db2.gz JUHDLELITFURFG-HUUCEWRRSA-N 1 0 382.302 2.314 20 0 GEADRO CN1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)[C@@H](C[NH3+])C1 ZINC000576157933 532724461 /nfs/dbraw/zinc/72/44/61/532724461.db2.gz XKLYLBPSYZUVOH-INIZCTEOSA-N 1 0 392.297 2.082 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000299521913 532724609 /nfs/dbraw/zinc/72/46/09/532724609.db2.gz QEPSFODPVQUXFN-LBPRGKRZSA-N 1 0 390.297 2.432 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000409514998 532724688 /nfs/dbraw/zinc/72/46/88/532724688.db2.gz RRMXXLDWGLGNQC-CYBMUJFWSA-N 1 0 391.331 2.314 20 0 GEADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000440864915 532725355 /nfs/dbraw/zinc/72/53/55/532725355.db2.gz WYXQVBVWMJRNIH-ZETCQYMHSA-N 1 0 375.210 2.484 20 0 GEADRO C[C@H](CNC(=O)NCCc1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000266828070 532726207 /nfs/dbraw/zinc/72/62/07/532726207.db2.gz MPJRWARKALMRSF-OAHLLOKOSA-N 1 0 397.361 2.174 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000576212223 532727166 /nfs/dbraw/zinc/72/71/66/532727166.db2.gz JNLAAQLHFGHHNN-UHFFFAOYSA-N 1 0 395.345 2.276 20 0 GEADRO CC[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1nc(C(F)(F)F)cs1 ZINC000266847282 532727581 /nfs/dbraw/zinc/72/75/81/532727581.db2.gz PSRRNTXRFHDZHE-WDEREUQCSA-N 1 0 379.452 2.158 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000672699760 532729214 /nfs/dbraw/zinc/72/92/14/532729214.db2.gz GEALZISRAYDUBV-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)[C@@H](C)C[N@@H+]1C ZINC000613193017 532729362 /nfs/dbraw/zinc/72/93/62/532729362.db2.gz ZQHDTOYCQAWSHQ-KOZAUXTDSA-N 1 0 382.302 2.473 20 0 GEADRO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1Br ZINC000673796699 532731506 /nfs/dbraw/zinc/73/15/06/532731506.db2.gz AVDAZJRQHLBWPH-INIZCTEOSA-N 1 0 394.313 2.312 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000299621061 532731563 /nfs/dbraw/zinc/73/15/63/532731563.db2.gz JJMJCDTZYRFQDW-MRXNPFEDSA-N 1 0 384.567 2.136 20 0 GEADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000299630710 532731835 /nfs/dbraw/zinc/73/18/35/532731835.db2.gz GKKSRCHGTJDVJN-MRXNPFEDSA-N 1 0 382.551 2.307 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000577074495 532732241 /nfs/dbraw/zinc/73/22/41/532732241.db2.gz DVUJLZKMMAPVBP-SNVBAGLBSA-N 1 0 378.420 2.337 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000577064366 532732435 /nfs/dbraw/zinc/73/24/35/532732435.db2.gz ZYLXXBNVFJSBFP-AWEZNQCLSA-N 1 0 380.491 2.090 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000502858940 532742436 /nfs/dbraw/zinc/74/24/36/532742436.db2.gz UJDMNCKQZFQUEO-KCPJHIHWSA-N 1 0 382.302 2.131 20 0 GEADRO OCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000502865967 532742525 /nfs/dbraw/zinc/74/25/25/532742525.db2.gz JMDFFXYFLVEKPO-SGIREYDYSA-N 1 0 376.266 2.469 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000502858938 532742647 /nfs/dbraw/zinc/74/26/47/532742647.db2.gz UJDMNCKQZFQUEO-DFBGVHRSSA-N 1 0 382.302 2.131 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCC[C@H]1CCO)c1ccc(Br)cc1 ZINC000502857322 532742739 /nfs/dbraw/zinc/74/27/39/532742739.db2.gz SQMPKZNWOGGAGR-WFASDCNBSA-N 1 0 376.316 2.364 20 0 GEADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000540723505 532742962 /nfs/dbraw/zinc/74/29/62/532742962.db2.gz PQXXYBNSDODTHU-YUTCNCBUSA-N 1 0 387.571 2.165 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)cc(F)c2F)CCSC1 ZINC000443298935 532744239 /nfs/dbraw/zinc/74/42/39/532744239.db2.gz VVHGWIHMKZGGCI-OAHLLOKOSA-N 1 0 377.844 2.110 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000615062849 532744468 /nfs/dbraw/zinc/74/44/68/532744468.db2.gz ATSMQROUKUXANT-GFCCVEGCSA-N 1 0 395.305 2.275 20 0 GEADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2cnc3ccsc3c2)C1 ZINC000286397695 532744508 /nfs/dbraw/zinc/74/45/08/532744508.db2.gz NNRZTHRQFHGBSO-KBPBESRZSA-N 1 0 381.523 2.170 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000540910291 532748047 /nfs/dbraw/zinc/74/80/47/532748047.db2.gz ZTSUBPZNBLCCEQ-CYBMUJFWSA-N 1 0 397.317 2.417 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2cccn3c(I)cnc23)CC1 ZINC000267547113 532745586 /nfs/dbraw/zinc/74/55/86/532745586.db2.gz WYZILRVFYCEHHJ-UHFFFAOYSA-N 1 0 398.248 2.107 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000615086539 532746325 /nfs/dbraw/zinc/74/63/25/532746325.db2.gz MMYGPQPLKGLRSP-NSHDSACASA-N 1 0 398.301 2.183 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503352461 532746775 /nfs/dbraw/zinc/74/67/75/532746775.db2.gz CJWGDUIFTORPIY-LLVKDONJSA-N 1 0 391.256 2.497 20 0 GEADRO COc1cccc([C@H](CNc2cnn(C)c(=O)c2Br)[NH+](C)C)c1 ZINC000301272585 532747050 /nfs/dbraw/zinc/74/70/50/532747050.db2.gz YFGTUYBWCIYPFF-AWEZNQCLSA-N 1 0 381.274 2.266 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N3CC(C[NH+](C)C)C3)CC2=O)ccc1Br ZINC000615512950 532747482 /nfs/dbraw/zinc/74/74/82/532747482.db2.gz LNTHHSSKMGKETJ-CQSZACIVSA-N 1 0 394.313 2.130 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000286213898 532733887 /nfs/dbraw/zinc/73/38/87/532733887.db2.gz CQOBAPZQVMDSCD-NEPJUHHUSA-N 1 0 377.432 2.416 20 0 GEADRO CCOC(=O)[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(OC)c(Br)c1 ZINC000539806047 532733911 /nfs/dbraw/zinc/73/39/11/532733911.db2.gz KGKSJJXHQOSGDN-IUODEOHRSA-N 1 0 399.285 2.130 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc(Br)c1O ZINC000673885857 532733927 /nfs/dbraw/zinc/73/39/27/532733927.db2.gz NBDDWQJQBPGJFJ-CQSZACIVSA-N 1 0 399.285 2.033 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000267150552 532734764 /nfs/dbraw/zinc/73/47/64/532734764.db2.gz NFIFOPGUDJEOMG-ZIAGYGMSSA-N 1 0 387.571 2.144 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000410159778 532735640 /nfs/dbraw/zinc/73/56/40/532735640.db2.gz QBCZWTZJJJUNMM-DGCLKSJQSA-N 1 0 391.331 2.360 20 0 GEADRO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H](C)CS(=O)(=O)CC ZINC000500788228 532735749 /nfs/dbraw/zinc/73/57/49/532735749.db2.gz ZBNINAWBIRGOFP-IRXDYDNUSA-N 1 0 375.579 2.496 20 0 GEADRO C[N@H+](CCCn1ccnc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000540319657 532736315 /nfs/dbraw/zinc/73/63/15/532736315.db2.gz DXKFCLTUESXFPJ-UHFFFAOYSA-N 1 0 376.258 2.176 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)CCCNC(=O)c2ccc(Cl)cc2)CCSC1 ZINC000267166619 532737050 /nfs/dbraw/zinc/73/70/50/532737050.db2.gz ZZHMEZUGHQIBPM-SFHVURJKSA-N 1 0 383.945 2.404 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540393929 532737762 /nfs/dbraw/zinc/73/77/62/532737762.db2.gz XDVMRLRKVQNKFU-FSBGKCOPSA-N 1 0 376.881 2.164 20 0 GEADRO C[C@@H](CN1CCOCC1)[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000540349522 532737956 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Cc1ncc(CNc2cc(Br)cnc2N2CCN(C)CC2)n1C ZINC000581022703 532753238 /nfs/dbraw/zinc/75/32/38/532753238.db2.gz FOUVZDPGVCOEMC-UHFFFAOYSA-N 1 0 379.306 2.250 20 0 GEADRO COCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000581006826 532753279 /nfs/dbraw/zinc/75/32/79/532753279.db2.gz RTNIARMXQYIELK-ZIAGYGMSSA-N 1 0 377.312 2.434 20 0 GEADRO CN1CCN(C(=O)NCC(C)(C)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000581001035 532753353 /nfs/dbraw/zinc/75/33/53/532753353.db2.gz WTCBJWZVFQFKCR-HNNXBMFYSA-N 1 0 383.334 2.011 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1CCCC[C@H]1O)COc1cc(F)cc(Br)c1 ZINC000581012359 532753523 /nfs/dbraw/zinc/75/35/23/532753523.db2.gz UZRDJMXPQSJXNU-SGIREYDYSA-N 1 0 376.266 2.469 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(Cl)c(SC)c1 ZINC000411289490 532753531 /nfs/dbraw/zinc/75/35/31/532753531.db2.gz GIPFOJNEZKLGRE-CYBMUJFWSA-N 1 0 387.933 2.473 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCO3)C[C@H]1[NH+]1CCCC1 ZINC000445753697 532754077 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392.352 2.487 20 0 GEADRO O=C(Cc1csc(-c2cccs2)n1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620489758 532763998 /nfs/dbraw/zinc/76/39/98/532763998.db2.gz DMUSOHHJLKTKAK-OAHLLOKOSA-N 1 0 377.535 2.472 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1(C)C ZINC000583063442 532764043 /nfs/dbraw/zinc/76/40/43/532764043.db2.gz ADKPVMMZBZQXLW-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO COc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Br ZINC000620491043 532764467 /nfs/dbraw/zinc/76/44/67/532764467.db2.gz MKUTVOCXSFRARU-CQSZACIVSA-N 1 0 383.286 2.129 20 0 GEADRO COc1ncc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1Br ZINC000620980686 532764555 /nfs/dbraw/zinc/76/45/55/532764555.db2.gz ZKAYIJGNOGPIIA-CYBMUJFWSA-N 1 0 386.290 2.036 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)CCO1 ZINC000620971964 532764658 /nfs/dbraw/zinc/76/46/58/532764658.db2.gz UESVCERPRALQAC-HOCLYGCPSA-N 1 0 397.313 2.494 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CCO1 ZINC000620967042 532764961 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CCOc1c(Br)cc(C(=O)NCCOCC[NH+](C)C)cc1OC ZINC000542457407 532772007 /nfs/dbraw/zinc/77/20/07/532772007.db2.gz GPVPDFNYMCFQFP-UHFFFAOYSA-N 1 0 389.290 2.164 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000588934664 532772040 /nfs/dbraw/zinc/77/20/40/532772040.db2.gz AFDXZJZBQATLIJ-UHFFFAOYSA-N 1 0 381.274 2.147 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000268821328 532772604 /nfs/dbraw/zinc/77/26/04/532772604.db2.gz RZPZDUYGBREYPN-ZDUSSCGKSA-N 1 0 386.315 2.239 20 0 GEADRO COC(=O)[C@@H]1CN(C)CC[N@H+](CCCc2ccc(Br)cc2OC)C1 ZINC000411913914 532779814 /nfs/dbraw/zinc/77/98/14/532779814.db2.gz JJLCERFPRILZCL-OAHLLOKOSA-N 1 0 399.329 2.427 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)C[NH+](C)C)ccc1Cl ZINC000286859392 532772995 /nfs/dbraw/zinc/77/29/95/532772995.db2.gz BXGJYWHMEAVNFM-LBPRGKRZSA-N 1 0 375.922 2.050 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)Nc1ccccc1I)C2 ZINC000313947055 532780076 /nfs/dbraw/zinc/78/00/76/532780076.db2.gz 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CC[N@H+](CC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC)C1CC1 ZINC000456736206 532783941 /nfs/dbraw/zinc/78/39/41/532783941.db2.gz XDYZMNZDFDPPNZ-CYBMUJFWSA-N 1 0 399.329 2.209 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000269601566 532784406 /nfs/dbraw/zinc/78/44/06/532784406.db2.gz HTWBAZTVVDGHHF-AWEZNQCLSA-N 1 0 385.283 2.303 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000457082309 532784982 /nfs/dbraw/zinc/78/49/82/532784982.db2.gz WSIQEZXIMQTTDE-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO CS[C@H]1CCCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1 ZINC000269618636 532785050 /nfs/dbraw/zinc/78/50/50/532785050.db2.gz DIXPUOFDYVPEJW-AWEZNQCLSA-N 1 0 385.555 2.107 20 0 GEADRO C[N@H+](CC(=O)NCc1nc2c(cccc2Br)[nH]1)[C@H]1CCSC1 ZINC000457074024 532785258 /nfs/dbraw/zinc/78/52/58/532785258.db2.gz YFUOTRGZFSZQIG-JTQLQIEISA-N 1 0 383.315 2.379 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2C)C[C@H]1[NH+]1CCCC1 ZINC000287183162 532785245 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COc1cc(Cl)c(Br)cc1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000412426996 532791472 /nfs/dbraw/zinc/79/14/72/532791472.db2.gz IUDADZMHEZZWIX-OCCSQVGLSA-N 1 0 389.677 2.266 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000458199756 532792109 /nfs/dbraw/zinc/79/21/09/532792109.db2.gz JLKISUZQZYAWHI-CQSZACIVSA-N 1 0 380.539 2.500 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000458202494 532792145 /nfs/dbraw/zinc/79/21/45/532792145.db2.gz NOZQZJYXJNXBLQ-UHFFFAOYSA-N 1 0 381.523 2.324 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000458219971 532793163 /nfs/dbraw/zinc/79/31/63/532793163.db2.gz YEJZAQOPBXUEMO-ZDUSSCGKSA-N 1 0 392.301 2.492 20 0 GEADRO [NH3+]C[C@@H]1Cc2ccccc2N(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000328406277 532794083 /nfs/dbraw/zinc/79/40/83/532794083.db2.gz FRJRTEXDMPZVGX-LBPRGKRZSA-N 1 0 375.270 2.420 20 0 GEADRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cn1 ZINC000458748573 532794964 /nfs/dbraw/zinc/79/49/64/532794964.db2.gz SRHIVOIXIATBLY-JSGCOSHPSA-N 1 0 385.306 2.051 20 0 GEADRO COc1cc(C)c(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)c(C)n1 ZINC000514237217 532780435 /nfs/dbraw/zinc/78/04/35/532780435.db2.gz FOUWVQDKQPTGCG-UHFFFAOYSA-N 1 0 383.539 2.453 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000314265112 532780474 /nfs/dbraw/zinc/78/04/74/532780474.db2.gz LUPFEEAUJSGEBD-QMTHXVAHSA-N 1 0 377.304 2.063 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000411928385 532780504 /nfs/dbraw/zinc/78/05/04/532780504.db2.gz BGYREPJLMQBOIO-LLVKDONJSA-N 1 0 379.258 2.409 20 0 GEADRO C[C@@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000542822892 532780935 /nfs/dbraw/zinc/78/09/35/532780935.db2.gz UEELSBJPMVHTMV-GFCCVEGCSA-N 1 0 395.301 2.337 20 0 GEADRO COC[C@@H]1C[C@H](O)C[N@@H+]1CCCOc1cccc(I)c1 ZINC000411927235 532780951 /nfs/dbraw/zinc/78/09/51/532780951.db2.gz XVZCOVIXHBKYCZ-KBPBESRZSA-N 1 0 391.249 2.142 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Br)c2c1OCCC2 ZINC000514994050 532781516 /nfs/dbraw/zinc/78/15/16/532781516.db2.gz JGKRTNVTFSHVGJ-ZDUSSCGKSA-N 1 0 397.313 2.351 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000514991684 532781802 /nfs/dbraw/zinc/78/18/02/532781802.db2.gz KAGGYNBHLRVEOL-UHFFFAOYSA-N 1 0 395.345 2.020 20 0 GEADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C(N)=O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000514967382 532781934 /nfs/dbraw/zinc/78/19/34/532781934.db2.gz XOFQCOLWLBTMRK-ORQFMDKSSA-N 1 0 394.313 2.212 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329284209 532804999 /nfs/dbraw/zinc/80/49/99/532804999.db2.gz LKBUYCFRJALZLI-ZDUSSCGKSA-N 1 0 386.901 2.360 20 0 GEADRO CCN1CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000556665060 532811293 /nfs/dbraw/zinc/81/12/93/532811293.db2.gz UZOIRZZFCLCPQN-OFQRWUPVSA-N 1 0 375.460 2.436 20 0 GEADRO CCC(CC)[C@H](CNC(=O)NCCC(C)(C)S(C)(=O)=O)[NH+]1CCCC1 ZINC000413078217 532806301 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Cn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(-c2ccc(Cl)s2)n1 ZINC000556359260 532810226 /nfs/dbraw/zinc/81/02/26/532810226.db2.gz PGPQQBJLEMRHGH-GFCCVEGCSA-N 1 0 382.917 2.379 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000459852052 532798199 /nfs/dbraw/zinc/79/81/99/532798199.db2.gz WBWAUNIQHYOHCU-UHFFFAOYSA-N 1 0 396.329 2.208 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc(Cl)c(OC)cc3C)[C@H]2C1 ZINC000328824843 532798340 /nfs/dbraw/zinc/79/83/40/532798340.db2.gz IWHJUPUUYMDOQF-LSDHHAIUSA-N 1 0 388.917 2.141 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)COc2ccccc2Br)ccc1=O ZINC000270650173 532801082 /nfs/dbraw/zinc/80/10/82/532801082.db2.gz BCFRBPIXJIJISA-UHFFFAOYSA-N 1 0 394.269 2.190 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271033607 532803212 /nfs/dbraw/zinc/80/32/12/532803212.db2.gz IPPJGNDWANWWFT-ZDUSSCGKSA-N 1 0 375.296 2.283 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000554042674 532804555 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GEADRO Cc1ccc(Br)c(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000413724773 532813972 /nfs/dbraw/zinc/81/39/72/532813972.db2.gz JOLRMRXFEBPIEC-UONOGXRCSA-N 1 0 384.318 2.354 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000413732377 532814121 /nfs/dbraw/zinc/81/41/21/532814121.db2.gz XZTVWBDTNKUVHI-HNNXBMFYSA-N 1 0 384.318 2.404 20 0 GEADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCCC(C)(C)S(C)(=O)=O ZINC000413731965 532814302 /nfs/dbraw/zinc/81/43/02/532814302.db2.gz XGOCCCJMOZBELL-CVEARBPZSA-N 1 0 375.579 2.400 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000272710441 532817412 /nfs/dbraw/zinc/81/74/12/532817412.db2.gz VIJDHNMREVXILS-QWHCGFSZSA-N 1 0 386.539 2.466 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cnc1Br ZINC000288112494 532817740 /nfs/dbraw/zinc/81/77/40/532817740.db2.gz JOARWMIEFSUZKK-OCCSQVGLSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000288043467 532816110 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GEADRO COc1ccc(COCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000414365365 532822537 /nfs/dbraw/zinc/82/25/37/532822537.db2.gz LCLSKTDZHJWPFO-UHFFFAOYSA-N 1 0 384.885 2.302 20 0 GEADRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414370519 532822969 /nfs/dbraw/zinc/82/29/69/532822969.db2.gz WQKJRAOJTZBGTM-WCQYABFASA-N 1 0 377.304 2.001 20 0 GEADRO CC1(C)C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000414371845 532823045 /nfs/dbraw/zinc/82/30/45/532823045.db2.gz YSIFBJPCAUSEEF-LLVKDONJSA-N 1 0 377.304 2.144 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000273503952 532824905 /nfs/dbraw/zinc/82/49/05/532824905.db2.gz ZDYZPTXIEDHWPR-CQSZACIVSA-N 1 0 386.945 2.334 20 0 GEADRO CS[C@@H]1CN(C(=O)CCCNC(=O)c2ccsc2)C[C@H]1[NH+]1CCCC1 ZINC000273481097 532825069 /nfs/dbraw/zinc/82/50/69/532825069.db2.gz IWNSPIBHRFRAHJ-HZPDHXFCSA-N 1 0 381.567 2.296 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC([NH+]2CCCC2)CC1 ZINC000414407948 532825523 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COC(C[N@H+](CCCO)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)OC ZINC000273664903 532830168 /nfs/dbraw/zinc/83/01/68/532830168.db2.gz YIMOVBOZCGXINX-YOEHRIQHSA-N 1 0 375.893 2.082 20 0 GEADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000273627124 532828894 /nfs/dbraw/zinc/82/88/94/532828894.db2.gz RNTQJGVAOPJRJU-AWEZNQCLSA-N 1 0 378.274 2.211 20 0 GEADRO Cn1ncc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000273624023 532828908 /nfs/dbraw/zinc/82/89/08/532828908.db2.gz PAVIUQBTZALCOU-UHFFFAOYSA-N 1 0 378.274 2.224 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330897893 532829342 /nfs/dbraw/zinc/82/93/42/532829342.db2.gz HYJYGZAIZXTFAA-XUJVJEKNSA-N 1 0 382.302 2.166 20 0 GEADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000288555859 532831479 /nfs/dbraw/zinc/83/14/79/532831479.db2.gz JHXIOJVJLQZOPQ-LBPRGKRZSA-N 1 0 390.267 2.061 20 0 GEADRO COc1cc(Br)c(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1O ZINC000414551222 532831613 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C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000331128830 532833781 /nfs/dbraw/zinc/83/37/81/532833781.db2.gz AAVREPUICAAMCY-HIFRSBDPSA-N 1 0 388.249 2.370 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000331146248 532833975 /nfs/dbraw/zinc/83/39/75/532833975.db2.gz AIDOWAKTOIJJPI-ZDUSSCGKSA-N 1 0 381.325 2.365 20 0 GEADRO COC[C@]1(CNCc2cc(Br)c3c(c2)OCCCO3)CCC[NH2+]1 ZINC000414948568 532836181 /nfs/dbraw/zinc/83/61/81/532836181.db2.gz XQXUZXOTQKEQEE-QGZVFWFLSA-N 1 0 385.302 2.469 20 0 GEADRO COc1cc(C)c(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1Cl ZINC000331220199 532836395 /nfs/dbraw/zinc/83/63/95/532836395.db2.gz UCLAWWGIANAXMM-CQSZACIVSA-N 1 0 390.933 2.028 20 0 GEADRO Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000414791881 532835027 /nfs/dbraw/zinc/83/50/27/532835027.db2.gz REXOBURMHLHWND-GFCCVEGCSA-N 1 0 383.290 2.076 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)s1 ZINC000288687671 532835199 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CS[C@@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@@H]1[NH+]1CCCC1 ZINC000273947657 532837952 /nfs/dbraw/zinc/83/79/52/532837952.db2.gz DRLSBGFDEHFPAJ-JKSUJKDBSA-N 1 0 378.929 2.360 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000288805609 532838480 /nfs/dbraw/zinc/83/84/80/532838480.db2.gz SDMNTDHVXKEXJW-ZWNOBZJWSA-N 1 0 389.315 2.326 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000415169834 532838538 /nfs/dbraw/zinc/83/85/38/532838538.db2.gz KGYAHIVWMYWFMB-MRVPVSSYSA-N 1 0 383.168 2.350 20 0 GEADRO C[C@H]1CCSCCN1C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415172693 532838501 /nfs/dbraw/zinc/83/85/01/532838501.db2.gz OQZHBFULNBDKAZ-JTQLQIEISA-N 1 0 375.416 2.457 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000288806920 532838612 /nfs/dbraw/zinc/83/86/12/532838612.db2.gz JQSUGSOYXCMZBN-OAHLLOKOSA-N 1 0 384.322 2.306 20 0 GEADRO O=C1N[C@H]2CN(Cc3ccc(Br)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415132549 532838838 /nfs/dbraw/zinc/83/88/38/532838838.db2.gz BAQLYLANKJYTGU-IRXDYDNUSA-N 1 0 393.329 2.169 20 0 GEADRO O=C1N[C@@H]2CN(Cc3cc(Br)cs3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415141402 532839065 /nfs/dbraw/zinc/83/90/65/532839065.db2.gz PDBHPSSMAOTNCF-HUUCEWRRSA-N 1 0 399.358 2.231 20 0 GEADRO C[NH+](C)CCCN(C(=O)[C@H]1CCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000331427447 532839176 /nfs/dbraw/zinc/83/91/76/532839176.db2.gz IKQXQNNXRJGASZ-ZBFHGGJFSA-N 1 0 384.567 2.135 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1c(F)cc(Br)cc1F ZINC000415219213 532839383 /nfs/dbraw/zinc/83/93/83/532839383.db2.gz VYCJIZYABNYGMG-UHFFFAOYSA-N 1 0 377.233 2.144 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000331441381 532839638 /nfs/dbraw/zinc/83/96/38/532839638.db2.gz XPPPKYIMXREIRW-CYBMUJFWSA-N 1 0 395.301 2.148 20 0 GEADRO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000288834084 532839751 /nfs/dbraw/zinc/83/97/51/532839751.db2.gz ODWZHCCRRWCPDS-INIZCTEOSA-N 1 0 396.285 2.220 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331459277 532840360 /nfs/dbraw/zinc/84/03/60/532840360.db2.gz DGUVAZZOYJBIOE-MRXNPFEDSA-N 1 0 384.249 2.129 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000415275220 532840509 /nfs/dbraw/zinc/84/05/09/532840509.db2.gz BAPSNNFUGIGSIT-CYBMUJFWSA-N 1 0 382.302 2.462 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415275209 532840515 /nfs/dbraw/zinc/84/05/15/532840515.db2.gz AWZXRTLPBFYGGP-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415300024 532840735 /nfs/dbraw/zinc/84/07/35/532840735.db2.gz NSQGSMKAZQQLRZ-VIFPVBQESA-N 1 0 377.844 2.456 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCCCC1 ZINC000415299296 532840782 /nfs/dbraw/zinc/84/07/82/532840782.db2.gz ZCKWKKUHHHORQQ-UHFFFAOYSA-N 1 0 390.228 2.444 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000415295152 532840801 /nfs/dbraw/zinc/84/08/01/532840801.db2.gz PUBIFYZDXSRAKJ-ZCFIWIBFSA-N 1 0 381.057 2.254 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000415288242 532840947 /nfs/dbraw/zinc/84/09/47/532840947.db2.gz YBVKBUZLKQXFQP-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cnc1Br ZINC000288898706 532841072 /nfs/dbraw/zinc/84/10/72/532841072.db2.gz GWVWKKJTMFMNJI-GXTWGEPZSA-N 1 0 395.301 2.176 20 0 GEADRO O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415312636 532841298 /nfs/dbraw/zinc/84/12/98/532841298.db2.gz GJKXOONNFXTJCF-LBPRGKRZSA-N 1 0 378.885 2.194 20 0 GEADRO CS[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000331557804 532841391 /nfs/dbraw/zinc/84/13/91/532841391.db2.gz ODEFDYBDXGPPKR-GJZGRUSLSA-N 1 0 385.892 2.456 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)cc1Br)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415313890 532841396 /nfs/dbraw/zinc/84/13/96/532841396.db2.gz IUHUTTVFJWQMLT-SECBINFHSA-N 1 0 394.191 2.275 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000415314159 532841412 /nfs/dbraw/zinc/84/14/12/532841412.db2.gz XCFJWMPRBAVTSU-UHFFFAOYSA-N 1 0 392.656 2.377 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415331315 532841675 /nfs/dbraw/zinc/84/16/75/532841675.db2.gz MBDJCIJULFZPPK-JTQLQIEISA-N 1 0 375.803 2.038 20 0 GEADRO CCOC(=O)c1c(NC(=O)NC[C@H]2C[NH2+]CCO2)sc2c1CCCS2 ZINC000415333111 532841730 /nfs/dbraw/zinc/84/17/30/532841730.db2.gz IQMAUBSDWMXDMB-SNVBAGLBSA-N 1 0 385.511 2.073 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415341762 532841817 /nfs/dbraw/zinc/84/18/17/532841817.db2.gz HURHMKCCFMRAFE-SECBINFHSA-N 1 0 379.766 2.040 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415330592 532841844 /nfs/dbraw/zinc/84/18/44/532841844.db2.gz FPCHPZRCXAHUIA-NSHDSACASA-N 1 0 391.269 2.052 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415343961 532842147 /nfs/dbraw/zinc/84/21/47/532842147.db2.gz VBQDPKRERRXRSL-MRVPVSSYSA-N 1 0 392.656 2.296 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415349612 532842158 /nfs/dbraw/zinc/84/21/58/532842158.db2.gz GZDZLFFRNMCUOC-NWDGAFQWSA-N 1 0 398.301 2.291 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415347351 532842171 /nfs/dbraw/zinc/84/21/71/532842171.db2.gz DAKCAHIGPSYDMH-SNVBAGLBSA-N 1 0 389.244 2.239 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000415352102 532842194 /nfs/dbraw/zinc/84/21/94/532842194.db2.gz OZHOIERNPQALSP-DTWKUNHWSA-N 1 0 390.228 2.170 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCCn1cc(Br)cn1 ZINC000288937569 532842347 /nfs/dbraw/zinc/84/23/47/532842347.db2.gz ZJCPDEGDCQVHNC-UHFFFAOYSA-N 1 0 398.305 2.402 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2[nH]nc3ccc(Br)cc32)CCSC1 ZINC000331672630 532842356 /nfs/dbraw/zinc/84/23/56/532842356.db2.gz QQMJKCHJMJALEQ-OAHLLOKOSA-N 1 0 383.315 2.493 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000415351680 532842421 /nfs/dbraw/zinc/84/24/21/532842421.db2.gz IJMQUNYAISNOSD-QMMMGPOBSA-N 1 0 394.191 2.214 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000415359811 532842595 /nfs/dbraw/zinc/84/25/95/532842595.db2.gz WXEHYGKIJOKHGI-LLVKDONJSA-N 1 0 375.416 2.395 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000415359593 532842563 /nfs/dbraw/zinc/84/25/63/532842563.db2.gz YRPLGSJDFZMMCB-DTWKUNHWSA-N 1 0 390.228 2.170 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)[C@H]1CCC[NH2+]C1 ZINC000415359589 532842585 /nfs/dbraw/zinc/84/25/85/532842585.db2.gz YRPLGSJDFZMMCB-BDAKNGLRSA-N 1 0 390.228 2.170 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000415359600 532842682 /nfs/dbraw/zinc/84/26/82/532842682.db2.gz YRPLGSJDFZMMCB-RKDXNWHRSA-N 1 0 390.228 2.170 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415354199 532842742 /nfs/dbraw/zinc/84/27/42/532842742.db2.gz DKUWYSVZMDHDQM-VIFPVBQESA-N 1 0 398.179 2.458 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)c2[nH]nc3ccc(Br)cc32)CC1(C)C ZINC000331703042 532842968 /nfs/dbraw/zinc/84/29/68/532842968.db2.gz GFVOZBBPFAJRDC-UHFFFAOYSA-N 1 0 394.317 2.081 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCSC1 ZINC000331714296 532843499 /nfs/dbraw/zinc/84/34/99/532843499.db2.gz DTDCDBAEYCBSRW-YJBOKZPZSA-N 1 0 381.929 2.246 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)s2)c1 ZINC000274188042 532843508 /nfs/dbraw/zinc/84/35/08/532843508.db2.gz DYZFGBCYPSYSAC-UHFFFAOYSA-N 1 0 387.914 2.494 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CCSC1 ZINC000331714295 532843576 /nfs/dbraw/zinc/84/35/76/532843576.db2.gz DTDCDBAEYCBSRW-QAPCUYQASA-N 1 0 381.929 2.246 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000331708639 532843592 /nfs/dbraw/zinc/84/35/92/532843592.db2.gz BCAFYTQNEYIOKX-KBPBESRZSA-N 1 0 394.313 2.403 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000415390354 532843665 /nfs/dbraw/zinc/84/36/65/532843665.db2.gz UQNMSUSTKHVCHT-SECBINFHSA-N 1 0 375.803 2.466 20 0 GEADRO CCCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1OC)[C@H]1CC[NH2+]C1 ZINC000415400429 532844054 /nfs/dbraw/zinc/84/40/54/532844054.db2.gz ZNNBBIPRXDOVGX-ZDUSSCGKSA-N 1 0 398.301 2.305 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2OC(C)C)C1 ZINC000415403291 532844276 /nfs/dbraw/zinc/84/42/76/532844276.db2.gz ZSEOIYWUOUKMMW-GFCCVEGCSA-N 1 0 398.301 2.243 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000415404776 532844302 /nfs/dbraw/zinc/84/43/02/532844302.db2.gz USECQYLSYUFJKL-UHFFFAOYSA-N 1 0 375.803 2.338 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000289006112 532844347 /nfs/dbraw/zinc/84/43/47/532844347.db2.gz GVXQTMZOOPANOM-QMMMGPOBSA-N 1 0 378.786 2.151 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1Br ZINC000415401338 532844559 /nfs/dbraw/zinc/84/45/59/532844559.db2.gz USOMJOSTNJCCIQ-SNVBAGLBSA-N 1 0 386.265 2.421 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1Br ZINC000415426747 532844815 /nfs/dbraw/zinc/84/48/15/532844815.db2.gz AVVDUHQGSMXNBG-MNOVXSKESA-N 1 0 386.265 2.421 20 0 GEADRO CS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1C(F)F ZINC000415430235 532845069 /nfs/dbraw/zinc/84/50/69/532845069.db2.gz JDZAINYOURWWLK-NSHDSACASA-N 1 0 383.367 2.146 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC[C@H]1[NH3+] ZINC000415439412 532845289 /nfs/dbraw/zinc/84/52/89/532845289.db2.gz LSFBNEDMXKOTLG-GXSJLCMTSA-N 1 0 375.803 2.118 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1F ZINC000415439911 532845542 /nfs/dbraw/zinc/84/55/42/532845542.db2.gz MDOIAPFUOIAFEV-GHMZBOCLSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC[C@@H]1[NH3+] ZINC000415439387 532845597 /nfs/dbraw/zinc/84/55/97/532845597.db2.gz LQRTZCHVIRMUAK-KOLCDFICSA-N 1 0 375.803 2.118 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000415448285 532845754 /nfs/dbraw/zinc/84/57/54/532845754.db2.gz IBOCUWKRUWFAJK-LLVKDONJSA-N 1 0 394.191 2.260 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000415451906 532845905 /nfs/dbraw/zinc/84/59/05/532845905.db2.gz KUECZZQJRSBINC-XHDPSFHLSA-N 1 0 398.301 2.371 20 0 GEADRO [NH3+]CCN(CCO)C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000415457412 532846231 /nfs/dbraw/zinc/84/62/31/532846231.db2.gz XQXHARBSHDFLRV-UHFFFAOYSA-N 1 0 399.314 2.281 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1CC1 ZINC000415458942 532846311 /nfs/dbraw/zinc/84/63/11/532846311.db2.gz VRCFSLHVDRVHCJ-LLVKDONJSA-N 1 0 379.766 2.073 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)C1CC1 ZINC000415443973 532846004 /nfs/dbraw/zinc/84/60/04/532846004.db2.gz CXCCTVPJDUQKJD-LLVKDONJSA-N 1 0 378.629 2.034 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000415448287 532846117 /nfs/dbraw/zinc/84/61/17/532846117.db2.gz IBOCUWKRUWFAJK-NSHDSACASA-N 1 0 394.191 2.260 20 0 GEADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000331914467 532846501 /nfs/dbraw/zinc/84/65/01/532846501.db2.gz NKFLGBVYGBTFQN-RYUDHWBXSA-N 1 0 378.274 2.194 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)c2ccccc12)C1CC1 ZINC000415458148 532846581 /nfs/dbraw/zinc/84/65/81/532846581.db2.gz ULONLTNKEFFWPO-HNNXBMFYSA-N 1 0 376.254 2.394 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1CC1 ZINC000415458943 532846635 /nfs/dbraw/zinc/84/66/35/532846635.db2.gz VRCFSLHVDRVHCJ-NSHDSACASA-N 1 0 379.766 2.073 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000331971908 532846758 /nfs/dbraw/zinc/84/67/58/532846758.db2.gz UNKRIZOBJTZDIS-KCXAZCMYSA-N 1 0 394.313 2.308 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000415465377 532846341 /nfs/dbraw/zinc/84/63/41/532846341.db2.gz FIAXLAGLRLVNHE-QMMMGPOBSA-N 1 0 376.226 2.352 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415484626 532847028 /nfs/dbraw/zinc/84/70/28/532847028.db2.gz IHUVDRVUOFTESV-UHFFFAOYSA-N 1 0 399.333 2.083 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC[NH2+]1 ZINC000415482928 532847035 /nfs/dbraw/zinc/84/70/35/532847035.db2.gz MACGZHAPQCTOMT-PWSUYJOCSA-N 1 0 379.262 2.292 20 0 GEADRO CO[C@@H]1CCN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)[C@H](C[NH3+])C1 ZINC000415498037 532847714 /nfs/dbraw/zinc/84/77/14/532847714.db2.gz IXMVXVMFHZBWSB-QWHCGFSZSA-N 1 0 381.889 2.829 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415501887 532847740 /nfs/dbraw/zinc/84/77/40/532847740.db2.gz WSKBHXBLHYJGKB-UHFFFAOYSA-N 1 0 378.217 2.300 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc(Br)c1 ZINC000274363011 532848422 /nfs/dbraw/zinc/84/84/22/532848422.db2.gz QSOKBXCQBTUELS-ZDUSSCGKSA-N 1 0 381.299 2.110 20 0 GEADRO COc1cc(OC)c(NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1Br ZINC000415532572 532848708 /nfs/dbraw/zinc/84/87/08/532848708.db2.gz ZJIOPEYOWMKYKE-SNVBAGLBSA-N 1 0 388.262 2.048 20 0 GEADRO CCCc1nc(C)c(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000415527221 532849015 /nfs/dbraw/zinc/84/90/15/532849015.db2.gz KIBLOCJBNGCEAX-NSHDSACASA-N 1 0 379.452 2.362 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415521907 532848848 /nfs/dbraw/zinc/84/88/48/532848848.db2.gz LUYHMTBPPUBVMI-MNOVXSKESA-N 1 0 391.269 2.132 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415544372 532849200 /nfs/dbraw/zinc/84/92/00/532849200.db2.gz TVDWUHCETQPLFL-WDEREUQCSA-N 1 0 391.269 2.132 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)c1Br ZINC000415556012 532849732 /nfs/dbraw/zinc/84/97/32/532849732.db2.gz GEAMQOQHYHYYBQ-UHFFFAOYSA-N 1 0 386.265 2.341 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415549115 532849969 /nfs/dbraw/zinc/84/99/69/532849969.db2.gz AZRNMFLLVNJQGZ-VHSXEESVSA-N 1 0 375.416 2.330 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)[C@H](C)C[NH2+]1 ZINC000415549110 532850025 /nfs/dbraw/zinc/85/00/25/532850025.db2.gz AZRNMFLLVNJQGZ-NXEZZACHSA-N 1 0 375.416 2.330 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415554134 532850032 /nfs/dbraw/zinc/85/00/32/532850032.db2.gz AZOIZJIFKAXPLT-JGVFFNPUSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)[C@@H](C)C[NH2+]1 ZINC000415571270 532850296 /nfs/dbraw/zinc/85/02/96/532850296.db2.gz RGVICGUMYIEQIG-QWRGUYRKSA-N 1 0 391.269 2.145 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[NH2+]CC1 ZINC000415567878 532850522 /nfs/dbraw/zinc/85/05/22/532850522.db2.gz HOODPOSOOZKWTE-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415569453 532850534 /nfs/dbraw/zinc/85/05/34/532850534.db2.gz KMEMFQKSYKGQEB-KRWDZBQOSA-N 1 0 398.301 2.211 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c(F)cc1Br ZINC000415577321 532850698 /nfs/dbraw/zinc/85/06/98/532850698.db2.gz XTUQAZUWDMXNAD-INIZCTEOSA-N 1 0 386.265 2.341 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415574801 532850801 /nfs/dbraw/zinc/85/08/01/532850801.db2.gz WPFBNXSXXBBLGQ-SNVBAGLBSA-N 1 0 389.244 2.239 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415567953 532850346 /nfs/dbraw/zinc/85/03/46/532850346.db2.gz HVKWQGHTHSTLTF-INIZCTEOSA-N 1 0 386.265 2.341 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000415567575 532850395 /nfs/dbraw/zinc/85/03/95/532850395.db2.gz JXNPDIAVMQWEQD-NWDGAFQWSA-N 1 0 398.301 2.371 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCc1nnc[nH]1 ZINC000274457388 532850432 /nfs/dbraw/zinc/85/04/32/532850432.db2.gz ULURQJBDWXONCP-UHFFFAOYSA-N 1 0 375.068 2.244 20 0 GEADRO COC(=O)c1cccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1Br ZINC000415607524 532851172 /nfs/dbraw/zinc/85/11/72/532851172.db2.gz KKMILZKNPMMWJO-VIFPVBQESA-N 1 0 380.189 2.340 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N[C@H](C)C[NH3+])C1 ZINC000274477180 532851179 /nfs/dbraw/zinc/85/11/79/532851179.db2.gz YUXAJZLXFBJTLS-CHWSQXEVSA-N 1 0 382.302 2.073 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415617368 532851232 /nfs/dbraw/zinc/85/12/32/532851232.db2.gz FITHFACXFMPYFX-HZMBPMFUSA-N 1 0 391.269 2.050 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415642535 532851687 /nfs/dbraw/zinc/85/16/87/532851687.db2.gz HRPNDXPHNGJVKI-MNOVXSKESA-N 1 0 384.274 2.172 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000415639757 532851841 /nfs/dbraw/zinc/85/18/41/532851841.db2.gz QHQHGCYMHAXWJV-OAHLLOKOSA-N 1 0 379.262 2.232 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000332296230 532851867 /nfs/dbraw/zinc/85/18/67/532851867.db2.gz FIDKXRIFPNXGBQ-NILFDRSVSA-N 1 0 380.286 2.282 20 0 GEADRO CN(C(=O)Nc1ccnn1-c1ccc(Br)cn1)[C@@H](C[NH3+])C1CC1 ZINC000415632354 532851930 /nfs/dbraw/zinc/85/19/30/532851930.db2.gz GIFBKHCVNYFFFS-LBPRGKRZSA-N 1 0 379.262 2.231 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289275080 532851999 /nfs/dbraw/zinc/85/19/99/532851999.db2.gz POOVXGQNTOIKAN-GOSISDBHSA-N 1 0 394.313 2.171 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1Br ZINC000415647609 532852287 /nfs/dbraw/zinc/85/22/87/532852287.db2.gz AWBRWBBSGNKXAW-ONGXEEELSA-N 1 0 388.693 2.464 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415655254 532852335 /nfs/dbraw/zinc/85/23/35/532852335.db2.gz JGACSJIMPIUORV-SNVBAGLBSA-N 1 0 379.258 2.050 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1cc(F)c(Br)cc1Cl ZINC000415647229 532852365 /nfs/dbraw/zinc/85/23/65/532852365.db2.gz AHWNKEOQEGQTJR-UHFFFAOYSA-N 1 0 379.661 2.268 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415659446 532852506 /nfs/dbraw/zinc/85/25/06/532852506.db2.gz ACDSZFWGODKNFI-ONGXEEELSA-N 1 0 375.803 2.179 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC[NH2+]1 ZINC000415662018 532852556 /nfs/dbraw/zinc/85/25/56/532852556.db2.gz PTGUYROATWXCJI-ZWNOBZJWSA-N 1 0 380.286 2.133 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000332351857 532852739 /nfs/dbraw/zinc/85/27/39/532852739.db2.gz YMTDXMTXWWJINS-SJORKVTESA-N 1 0 386.945 2.211 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415663627 532852776 /nfs/dbraw/zinc/85/27/76/532852776.db2.gz ZAVODEYHKGSSNY-SSDOTTSWSA-N 1 0 380.645 2.294 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[NH2+]1 ZINC000415667879 532853198 /nfs/dbraw/zinc/85/31/98/532853198.db2.gz YUIVMPXOADCMFF-GHMZBOCLSA-N 1 0 391.269 2.193 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415676774 532853206 /nfs/dbraw/zinc/85/32/06/532853206.db2.gz SXGWWMNIDSOEBE-UHFFFAOYSA-N 1 0 380.798 2.308 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC[NH2+]1 ZINC000415666294 532853266 /nfs/dbraw/zinc/85/32/66/532853266.db2.gz VYTIOZSKIQEQLQ-UWVGGRQHSA-N 1 0 375.803 2.179 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)Cn2cc(Br)cn2)cc1O ZINC000289375090 532853487 /nfs/dbraw/zinc/85/34/87/532853487.db2.gz BQQVTNDMVWONEH-TZMCWYRMSA-N 1 0 398.301 2.189 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415692899 532853671 /nfs/dbraw/zinc/85/36/71/532853671.db2.gz SAVWZQVCOXFMOB-SECBINFHSA-N 1 0 390.228 2.253 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000415682809 532853750 /nfs/dbraw/zinc/85/37/50/532853750.db2.gz SBLBAHRBXGTCPM-GHMZBOCLSA-N 1 0 391.269 2.193 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415722869 532854432 /nfs/dbraw/zinc/85/44/32/532854432.db2.gz HREHWDZDNJTBBR-XVKPBYJWSA-N 1 0 394.191 2.355 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1Br ZINC000415708554 532854454 /nfs/dbraw/zinc/85/44/54/532854454.db2.gz ODKPBBYSGITHBQ-MNOVXSKESA-N 1 0 383.290 2.400 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000415718451 532854589 /nfs/dbraw/zinc/85/45/89/532854589.db2.gz AJBGLFXWIXTXDW-XYPYZODXSA-N 1 0 386.265 2.408 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)NCC1=CC[NH2+]CC1 ZINC000415724388 532854383 /nfs/dbraw/zinc/85/43/83/532854383.db2.gz MQRQNWUNTNZGHZ-UHFFFAOYSA-N 1 0 398.257 2.286 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1Br ZINC000415712406 532854753 /nfs/dbraw/zinc/85/47/53/532854753.db2.gz UVEATNKYXPZUEJ-GXFFZTMASA-N 1 0 383.290 2.400 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)c(C)c2)n1 ZINC000415729294 532854897 /nfs/dbraw/zinc/85/48/97/532854897.db2.gz BPFFHRLWLUFTQK-UHFFFAOYSA-N 1 0 376.507 2.280 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000415737467 532854901 /nfs/dbraw/zinc/85/49/01/532854901.db2.gz COQIPRRUPZHVBL-NSHDSACASA-N 1 0 386.290 2.338 20 0 GEADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415734782 532854923 /nfs/dbraw/zinc/85/49/23/532854923.db2.gz XULIKDRJGSLXLG-QGZVFWFLSA-N 1 0 376.507 2.412 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415749511 532855504 /nfs/dbraw/zinc/85/55/04/532855504.db2.gz RBWXAMLSIKTHCV-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO CN(C)c1ncc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)s1 ZINC000274753684 532855535 /nfs/dbraw/zinc/85/55/35/532855535.db2.gz FNJCTQFDLLZMMQ-UHFFFAOYSA-N 1 0 384.502 2.178 20 0 GEADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415741361 532855590 /nfs/dbraw/zinc/85/55/90/532855590.db2.gz IIDPJIFWOZIUDU-ZJUUUORDSA-N 1 0 375.778 2.365 20 0 GEADRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415749833 532855648 /nfs/dbraw/zinc/85/56/48/532855648.db2.gz SLADZINBSYOXJQ-RNCFNFMXSA-N 1 0 382.251 2.066 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)cc2s1 ZINC000415750147 532855962 /nfs/dbraw/zinc/85/59/62/532855962.db2.gz SUGIDRDUKNZGPQ-QWRGUYRKSA-N 1 0 378.885 2.265 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415760715 532856004 /nfs/dbraw/zinc/85/60/04/532856004.db2.gz SPCRPHSCDMPYIS-CQSZACIVSA-N 1 0 378.274 2.851 20 0 GEADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415757923 532856063 /nfs/dbraw/zinc/85/60/63/532856063.db2.gz ODHGVJLIUDMDRB-TXEJJXNPSA-N 1 0 376.507 2.268 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415743244 532855444 /nfs/dbraw/zinc/85/54/44/532855444.db2.gz NZKXIWATZNHWDU-DZGCQCFKSA-N 1 0 380.286 2.200 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000415763312 532856462 /nfs/dbraw/zinc/85/64/62/532856462.db2.gz QRLAJRQUBCJNJI-SECBINFHSA-N 1 0 381.782 2.463 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[C@H]1[NH3+] ZINC000415763522 532856491 /nfs/dbraw/zinc/85/64/91/532856491.db2.gz XWLAOCFXTNZKGK-BXUZGUMPSA-N 1 0 378.274 2.836 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc(F)c1Br ZINC000332585031 532857217 /nfs/dbraw/zinc/85/72/17/532857217.db2.gz JHNRNHIEVHMDEZ-LBPRGKRZSA-N 1 0 384.249 2.142 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000415789061 532857406 /nfs/dbraw/zinc/85/74/06/532857406.db2.gz SEVOYCMOCVBYKY-SECBINFHSA-N 1 0 381.782 2.463 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000332583119 532857452 /nfs/dbraw/zinc/85/74/52/532857452.db2.gz AEBAUTXIKJUVBL-GFCCVEGCSA-N 1 0 382.302 2.025 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415797687 532857926 /nfs/dbraw/zinc/85/79/26/532857926.db2.gz ALEQCBSAGBNMJX-RYUDHWBXSA-N 1 0 398.301 2.338 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415801335 532857966 /nfs/dbraw/zinc/85/79/66/532857966.db2.gz FEHDLHWGWRBESO-WDEREUQCSA-N 1 0 386.265 2.469 20 0 GEADRO C[N@H+](C[C@@H](O)CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000289512137 532857591 /nfs/dbraw/zinc/85/75/91/532857591.db2.gz LVKVUKONMOJLOE-RHSMWYFYSA-N 1 0 387.293 2.417 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415801560 532857636 /nfs/dbraw/zinc/85/76/36/532857636.db2.gz GQJPAIUMWYXWFH-SNVBAGLBSA-N 1 0 390.228 2.314 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)nc1 ZINC000289531956 532858069 /nfs/dbraw/zinc/85/80/69/532858069.db2.gz AFONCCVUEOXDMD-GHMZBOCLSA-N 1 0 378.274 2.053 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)c(F)cc1Br ZINC000415805904 532858155 /nfs/dbraw/zinc/85/81/55/532858155.db2.gz OGNZMHUPAHDUFY-LLVKDONJSA-N 1 0 386.265 2.484 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415819865 532858809 /nfs/dbraw/zinc/85/88/09/532858809.db2.gz JPZAJYLQBPLTQX-VXGBXAGGSA-N 1 0 398.276 2.375 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC[NH2+]1 ZINC000415821481 532858872 /nfs/dbraw/zinc/85/88/72/532858872.db2.gz GWKRUHDPVAHANG-UHFFFAOYSA-N 1 0 375.803 2.133 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000289551424 532858520 /nfs/dbraw/zinc/85/85/20/532858520.db2.gz KKDVZUJSLYOKPT-CJNGLKHVSA-N 1 0 382.302 2.446 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415822529 532858600 /nfs/dbraw/zinc/85/86/00/532858600.db2.gz PZTZCEATZKPCMN-RYUDHWBXSA-N 1 0 398.276 2.375 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000415829184 532859225 /nfs/dbraw/zinc/85/92/25/532859225.db2.gz GPYOUGMMSXKUHZ-QMMMGPOBSA-N 1 0 380.659 2.080 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000415833825 532859339 /nfs/dbraw/zinc/85/93/39/532859339.db2.gz ACXFDFAMCGKUQR-VXGBXAGGSA-N 1 0 398.301 2.230 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C[C@@]1(C)C[NH3+] ZINC000415839326 532859708 /nfs/dbraw/zinc/85/97/08/532859708.db2.gz JBXCIHKCRVPGIJ-RFAUZJTJSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000415838384 532859764 /nfs/dbraw/zinc/85/97/64/532859764.db2.gz DBJVUBLRUNGPEM-ZJUUUORDSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000415846122 532860112 /nfs/dbraw/zinc/86/01/12/532860112.db2.gz KODHWWNIHXNBRK-UWVGGRQHSA-N 1 0 388.693 2.484 20 0 GEADRO O=S1(=O)CC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000289613399 532860202 /nfs/dbraw/zinc/86/02/02/532860202.db2.gz FFFJEVLOLJEJPJ-LLVKDONJSA-N 1 0 383.105 2.488 20 0 GEADRO CC1(C)CCCc2sc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)nc21 ZINC000415847487 532860306 /nfs/dbraw/zinc/86/03/06/532860306.db2.gz XELPOYLAVOZUMX-VIFPVBQESA-N 1 0 378.420 2.091 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[C@@]1(C)C[NH3+] ZINC000415846677 532860321 /nfs/dbraw/zinc/86/03/21/532860321.db2.gz YSRGCMDFBYKWOK-ANRSDYALSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C[C@@H]1C[NH3+] ZINC000415855091 532860507 /nfs/dbraw/zinc/86/05/07/532860507.db2.gz XVQMLJGAPGSXAC-FZMZJTMJSA-N 1 0 394.313 2.320 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415853336 532860651 /nfs/dbraw/zinc/86/06/51/532860651.db2.gz TWSYBCDRDGJNAA-GWCFXTLKSA-N 1 0 382.302 2.448 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[C@H]1C[NH3+] ZINC000415853256 532860726 /nfs/dbraw/zinc/86/07/26/532860726.db2.gz SWXWEPHSLMDMMY-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415848293 532860772 /nfs/dbraw/zinc/86/07/72/532860772.db2.gz XUVVELMXYPOJQK-SNVBAGLBSA-N 1 0 388.173 2.336 20 0 GEADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc(O)ccc2Br)NC(=O)NC1=O ZINC000289605565 532860343 /nfs/dbraw/zinc/86/03/43/532860343.db2.gz KZSFNWVDYIWITP-BZNIZROVSA-N 1 0 382.258 2.107 20 0 GEADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2Br)NC(=O)NC1=O ZINC000289605570 532860361 /nfs/dbraw/zinc/86/03/61/532860361.db2.gz KZSFNWVDYIWITP-MEDUHNTESA-N 1 0 382.258 2.107 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415844733 532860375 /nfs/dbraw/zinc/86/03/75/532860375.db2.gz UYVMIEITFPSAOG-QLJPJBMISA-N 1 0 386.265 2.278 20 0 GEADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2Br)NC(=O)NC1=O ZINC000289605574 532860415 /nfs/dbraw/zinc/86/04/15/532860415.db2.gz KZSFNWVDYIWITP-ZBEGNZNMSA-N 1 0 382.258 2.107 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000332682828 532860427 /nfs/dbraw/zinc/86/04/27/532860427.db2.gz PJYBLICLROWKDP-NFAWXSAZSA-N 1 0 394.313 2.401 20 0 GEADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415863165 532861069 /nfs/dbraw/zinc/86/10/69/532861069.db2.gz GIEHSKPCHQSSSB-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000415867334 532861040 /nfs/dbraw/zinc/86/10/40/532861040.db2.gz GWDLXJZVSCIWIB-QJPTWQEYSA-N 1 0 398.276 2.339 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415864617 532861243 /nfs/dbraw/zinc/86/12/43/532861243.db2.gz AASPEONQMOEKPL-NXEZZACHSA-N 1 0 386.677 2.109 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC000415864096 532861248 /nfs/dbraw/zinc/86/12/48/532861248.db2.gz HINLOZKJGFGEKL-MNOVXSKESA-N 1 0 386.279 2.399 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415864645 532861083 /nfs/dbraw/zinc/86/10/83/532861083.db2.gz AFHVYGCMTKKBCQ-ZJUUUORDSA-N 1 0 375.778 2.365 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415876853 532861548 /nfs/dbraw/zinc/86/15/48/532861548.db2.gz JDNJZUKUXGMKJL-OUCADQQQSA-N 1 0 380.286 2.200 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415878642 532861679 /nfs/dbraw/zinc/86/16/79/532861679.db2.gz NMLLJFVSAQNWAN-UHFFFAOYSA-N 1 0 380.286 2.376 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415872069 532861733 /nfs/dbraw/zinc/86/17/33/532861733.db2.gz QHDOBLYWGOSVPQ-GMTAPVOTSA-N 1 0 384.249 2.031 20 0 GEADRO Nc1ncc(Br)cc1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415901990 532862083 /nfs/dbraw/zinc/86/20/83/532862083.db2.gz VKNDGVNJLHTASO-UHFFFAOYSA-N 1 0 376.258 2.394 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000415873254 532861771 /nfs/dbraw/zinc/86/17/71/532861771.db2.gz UFHLLBVBKQKKJJ-RWMBFGLXSA-N 1 0 380.286 2.200 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415948567 532861951 /nfs/dbraw/zinc/86/19/51/532861951.db2.gz UNFNCQKUBARJCE-UHFFFAOYSA-N 1 0 382.262 2.147 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)cc(C)c1Br ZINC000415881508 532861958 /nfs/dbraw/zinc/86/19/58/532861958.db2.gz UNKVHQOJLXKNEP-UHFFFAOYSA-N 1 0 380.286 2.430 20 0 GEADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000415888274 532861963 /nfs/dbraw/zinc/86/19/63/532861963.db2.gz RZVVDXGBDJEPNZ-UHFFFAOYSA-N 1 0 385.917 2.091 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000275037982 532862424 /nfs/dbraw/zinc/86/24/24/532862424.db2.gz QQBIMYAPAXEDCB-IUODEOHRSA-N 1 0 380.286 2.249 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H](C)S1(=O)=O ZINC000415976360 532862697 /nfs/dbraw/zinc/86/26/97/532862697.db2.gz VLDTXCKIKGDAML-UWVGGRQHSA-N 1 0 379.404 2.203 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H](C)S1(=O)=O ZINC000415976358 532862564 /nfs/dbraw/zinc/86/25/64/532862564.db2.gz VLDTXCKIKGDAML-NXEZZACHSA-N 1 0 379.404 2.203 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000333051516 532863305 /nfs/dbraw/zinc/86/33/05/532863305.db2.gz BQDLAUQIGQFWHJ-CYBMUJFWSA-N 1 0 384.322 2.056 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NC[C@@H](CO)Cc1c(F)cccc1Cl)C(F)(F)F ZINC000416008609 532862925 /nfs/dbraw/zinc/86/29/25/532862925.db2.gz ODDKXDHCXBIVET-TVQRCGJNSA-N 1 0 385.789 2.209 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000289690667 532863085 /nfs/dbraw/zinc/86/30/85/532863085.db2.gz KAHPWKMMOUAKSX-NWDGAFQWSA-N 1 0 393.322 2.390 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C(F)(F)F ZINC000416012548 532863100 /nfs/dbraw/zinc/86/31/00/532863100.db2.gz SLUWLZGKKQKERF-VXGBXAGGSA-N 1 0 378.782 2.024 20 0 GEADRO CC[NH+](CC)CCNC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000416120647 532864218 /nfs/dbraw/zinc/86/42/18/532864218.db2.gz HUAKTFTZYMXOHD-UHFFFAOYSA-N 1 0 391.331 2.071 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000333166410 532865284 /nfs/dbraw/zinc/86/52/84/532865284.db2.gz MVIRYJSWYCWIKU-TZMCWYRMSA-N 1 0 388.917 2.462 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416162720 532866099 /nfs/dbraw/zinc/86/60/99/532866099.db2.gz VXBLZFBHNWGJNI-NSHDSACASA-N 1 0 392.700 2.146 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br ZINC000333274381 532866304 /nfs/dbraw/zinc/86/63/04/532866304.db2.gz LCQXSKFSRNTYNT-UHFFFAOYSA-N 1 0 389.315 2.364 20 0 GEADRO C[C@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C[C@@H]1[NH3+] ZINC000333286607 532866657 /nfs/dbraw/zinc/86/66/57/532866657.db2.gz ILDAEGZLDHJCFK-IUCAKERBSA-N 1 0 382.287 2.779 20 0 GEADRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000289854796 532866712 /nfs/dbraw/zinc/86/67/12/532866712.db2.gz VCGOCZRSWKNNAZ-LBPRGKRZSA-N 1 0 382.258 2.376 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CCC2(CC[NH2+]2)CC1 ZINC000333282544 532866723 /nfs/dbraw/zinc/86/67/23/532866723.db2.gz MSXDFFGGQBKQOX-UHFFFAOYSA-N 1 0 391.273 2.390 20 0 GEADRO CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000289882590 532867078 /nfs/dbraw/zinc/86/70/78/532867078.db2.gz MCUNQTHMTVPYSB-NSHDSACASA-N 1 0 379.507 2.177 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333344684 532867473 /nfs/dbraw/zinc/86/74/73/532867473.db2.gz QHZURIWAVNXVML-MRXNPFEDSA-N 1 0 391.273 2.247 20 0 GEADRO Cc1cccc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1Br ZINC000333459691 532868288 /nfs/dbraw/zinc/86/82/88/532868288.db2.gz GFGYCMGELYEQBU-QWHCGFSZSA-N 1 0 378.274 2.450 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289944622 532869058 /nfs/dbraw/zinc/86/90/58/532869058.db2.gz OWZCNALVIINGMV-UKRRQHHQSA-N 1 0 398.320 2.273 20 0 GEADRO O=S(=O)(c1cc(Cl)sc1Cl)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333476749 532869136 /nfs/dbraw/zinc/86/91/36/532869136.db2.gz BNUOLBIISQUOKS-ZJUUUORDSA-N 1 0 397.349 2.444 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333493974 532869343 /nfs/dbraw/zinc/86/93/43/532869343.db2.gz DOWZDVWRMQDDGV-CABCVRRESA-N 1 0 391.320 2.383 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)nc1C ZINC000289979647 532869184 /nfs/dbraw/zinc/86/91/84/532869184.db2.gz GLCVWQBOSWOOEG-LLVKDONJSA-N 1 0 385.306 2.328 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)CC1 ZINC000333491090 532869193 /nfs/dbraw/zinc/86/91/93/532869193.db2.gz DHPQYZUYUSZXRB-XHSDSOJGSA-N 1 0 380.501 2.360 20 0 GEADRO C[C@@H]1CN(C(=O)CCOc2ccccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000416300509 532869746 /nfs/dbraw/zinc/86/97/46/532869746.db2.gz TXFKGANHYQDKER-KGLIPLIRSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C(C)(C)n1cncn1 ZINC000289996922 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C[NH+](C)C1(CNC(=O)C(=O)N2CCc3c2cccc3Br)CCCC1 ZINC000421176898 532889536 /nfs/dbraw/zinc/88/95/36/532889536.db2.gz WZOSEVFTRXBTGU-UHFFFAOYSA-N 1 0 394.313 2.329 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[C@H]1N1CCOCC1)c1cc(F)ccc1Cl ZINC000360231005 532889896 /nfs/dbraw/zinc/88/98/96/532889896.db2.gz SLAJILQMVKKEGE-IUODEOHRSA-N 1 0 376.881 2.258 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(Br)c(F)cc1F ZINC000276054264 532888029 /nfs/dbraw/zinc/88/80/29/532888029.db2.gz JETUSSJKRBRVKV-VIFPVBQESA-N 1 0 377.233 2.095 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(Br)c1 ZINC000276112371 532889456 /nfs/dbraw/zinc/88/94/56/532889456.db2.gz OMGOKDHMMGDMNM-LBPRGKRZSA-N 1 0 380.286 2.463 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000421842347 532890916 /nfs/dbraw/zinc/89/09/16/532890916.db2.gz KTTMXYIKLXIUBT-CJNGLKHVSA-N 1 0 392.924 2.488 20 0 GEADRO COCCOCCOCC[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000276232348 532891595 /nfs/dbraw/zinc/89/15/95/532891595.db2.gz KRNPLVIXCVXQRQ-MRXNPFEDSA-N 1 0 376.291 2.094 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000360926206 532891887 /nfs/dbraw/zinc/89/18/87/532891887.db2.gz IVUITVAWSAPVHE-UXIGCNINSA-N 1 0 398.301 2.169 20 0 GEADRO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361311975 532893203 /nfs/dbraw/zinc/89/32/03/532893203.db2.gz ZBMTWIOVPVEYOF-CHWSQXEVSA-N 1 0 375.416 2.172 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423074207 532893565 /nfs/dbraw/zinc/89/35/65/532893565.db2.gz LBKCECQGYCICII-SFHVURJKSA-N 1 0 394.313 2.010 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C[C@H](C)[NH2+]1 ZINC000423082223 532893686 /nfs/dbraw/zinc/89/36/86/532893686.db2.gz WQJAAVUTHWCTLS-BETUJISGSA-N 1 0 394.313 2.149 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1csc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000276359998 532894159 /nfs/dbraw/zinc/89/41/59/532894159.db2.gz LZYHBDIKVHQZBR-ZDUSSCGKSA-N 1 0 378.947 2.373 20 0 GEADRO 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C[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000367458209 532925111 /nfs/dbraw/zinc/92/51/11/532925111.db2.gz YZDFOQUVLNENCJ-OAHLLOKOSA-N 1 0 385.961 2.270 20 0 GEADRO O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc(Br)cc1F ZINC000367460351 532925252 /nfs/dbraw/zinc/92/52/52/532925252.db2.gz ZVXDDYADBXVMMP-XJKSGUPXSA-N 1 0 384.249 2.174 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)C2)C1 ZINC000293326548 532925383 /nfs/dbraw/zinc/92/53/83/532925383.db2.gz KGQNKOJGJOIMFB-QGZVFWFLSA-N 1 0 398.276 2.471 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)Cc2cscc2Br)CC1 ZINC000293338065 532925426 /nfs/dbraw/zinc/92/54/26/532925426.db2.gz KBCAQKUBQLSJJO-UHFFFAOYSA-N 1 0 375.332 2.405 20 0 GEADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000367481947 532925490 /nfs/dbraw/zinc/92/54/90/532925490.db2.gz YUHZPCZGDJUBAL-UHFFFAOYSA-N 1 0 382.555 2.061 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367114307 532922761 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O=C(Nc1cncc(Br)c1)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370706607 532944929 /nfs/dbraw/zinc/94/49/29/532944929.db2.gz MLPFJKFVLOLGOT-UHFFFAOYSA-N 1 0 395.301 2.306 20 0 GEADRO O=C(COc1ccc(Br)cc1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370760704 532945207 /nfs/dbraw/zinc/94/52/07/532945207.db2.gz SQUGPLKEWSBGLV-WMLDXEAASA-N 1 0 397.313 2.445 20 0 GEADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc(Br)cn3)CCC[N@@H+]2C)cn1 ZINC000370906729 532946065 /nfs/dbraw/zinc/94/60/65/532946065.db2.gz XOEVCPRAGFXIKL-WBMJQRKESA-N 1 0 392.301 2.391 20 0 GEADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3cncc(Br)c3)CCC[N@@H+]2C)cn1 ZINC000370918043 532946099 /nfs/dbraw/zinc/94/60/99/532946099.db2.gz QEWCXJAJQGRZJM-LRDDRELGSA-N 1 0 392.301 2.391 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000370613064 532944601 /nfs/dbraw/zinc/94/46/01/532944601.db2.gz VPJPDYHOCURMIE-UHFFFAOYSA-N 1 0 380.491 2.420 20 0 GEADRO C[N@H+](C[C@H]1CC12CCN(Cc1csc(CS(C)(=O)=O)n1)CC2)C1CC1 ZINC000371415367 532947949 /nfs/dbraw/zinc/94/79/49/532947949.db2.gz BQTSSAPZJNSWJU-CQSZACIVSA-N 1 0 383.583 2.384 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000371411558 532947978 /nfs/dbraw/zinc/94/79/78/532947978.db2.gz AQGHQORDHUARHU-HNNXBMFYSA-N 1 0 378.270 2.184 20 0 GEADRO Cc1cccc(S(=O)(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1Cl ZINC000371423256 532948059 /nfs/dbraw/zinc/94/80/59/532948059.db2.gz ITGMCCPMQBMBPR-MRXNPFEDSA-N 1 0 385.961 2.297 20 0 GEADRO C[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc(F)cc1Br ZINC000371440746 532948191 /nfs/dbraw/zinc/94/81/91/532948191.db2.gz TZFFQNBWGVKRGT-JTQLQIEISA-N 1 0 383.269 2.431 20 0 GEADRO C[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc(F)cc1Br ZINC000371440747 532948205 /nfs/dbraw/zinc/94/82/05/532948205.db2.gz TZFFQNBWGVKRGT-SNVBAGLBSA-N 1 0 383.269 2.431 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000371054623 532946863 /nfs/dbraw/zinc/94/68/63/532946863.db2.gz NUKFZQBKCLKBQT-HNNXBMFYSA-N 1 0 389.924 2.021 20 0 GEADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)cn1 ZINC000275509169 570695290 /nfs/dbraw/zinc/69/52/90/570695290.db2.gz KCMZHLDCAIPCMK-IRLDBZIGSA-N 1 0 399.514 2.176 20 0 GEADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(Oc3cnccn3)cc2)cn1 ZINC000275543862 570695764 /nfs/dbraw/zinc/69/57/64/570695764.db2.gz MVCWTQSVHPKQQE-XLIONFOSSA-N 1 0 378.436 2.112 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cn(-c4ccccc4Cl)nn3)CC2)C1 ZINC000333222477 570744765 /nfs/dbraw/zinc/74/47/65/570744765.db2.gz AGVIBXUAHDQVEQ-KSSFIOAISA-N 1 0 389.887 2.279 20 0 GEADRO CCC[C@@]1(C)C(=O)NCCN1C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000189806297 570773433 /nfs/dbraw/zinc/77/34/33/570773433.db2.gz DSULDJVRGDRMKZ-QFIPXVFZSA-N 1 0 386.540 2.348 20 0 GEADRO CN(C)c1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)ccn1 ZINC000583616021 570801253 /nfs/dbraw/zinc/80/12/53/570801253.db2.gz DJNXCXNSUDVRFB-SFHVURJKSA-N 1 0 384.528 2.083 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C2CCC2)CC1 ZINC000737833091 598826174 /nfs/dbraw/zinc/82/61/74/598826174.db2.gz OHRJWSMUBMOAGJ-UHFFFAOYSA-N 1 0 384.484 2.113 20 0 GEADRO O=C(COc1ccccc1-c1nn[nH]n1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000737925864 598837613 /nfs/dbraw/zinc/83/76/13/598837613.db2.gz YHQIGLNDLXSGCE-UHFFFAOYSA-N 1 0 392.463 2.375 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000735733237 598847953 /nfs/dbraw/zinc/84/79/53/598847953.db2.gz GBCAENDZGXDZAE-VQIMIIECSA-N 1 0 398.511 2.214 20 0 GEADRO CCOC[C@@H]1CCC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736611553 598852952 /nfs/dbraw/zinc/85/29/52/598852952.db2.gz RXSFUQGCBJOUGU-OAHLLOKOSA-N 1 0 382.472 2.140 20 0 GEADRO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000736900216 598862037 /nfs/dbraw/zinc/86/20/37/598862037.db2.gz DEDMDQZUJTWODC-GOSISDBHSA-N 1 0 386.500 2.133 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265773 598867907 /nfs/dbraw/zinc/86/79/07/598867907.db2.gz 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Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000737546070 599228035 /nfs/dbraw/zinc/22/80/35/599228035.db2.gz CBZFFVXQWACPAK-UKRRQHHQSA-N 1 0 395.467 2.258 20 0 GEADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000738087847 599244737 /nfs/dbraw/zinc/24/47/37/599244737.db2.gz DKIHSEGRBBXLNP-UHFFFAOYSA-N 1 0 392.463 2.271 20 0 GEADRO CC[N@@H+](c1ccc(NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1)C(C)C ZINC000821239458 607308153 /nfs/dbraw/zinc/30/81/53/607308153.db2.gz BNERWZCFIMFOBK-AWEZNQCLSA-N 1 0 381.488 2.452 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3ccc(-c4nn[nH]n4)s3)cc2)C1 ZINC000822858568 607316403 /nfs/dbraw/zinc/31/64/03/607316403.db2.gz BJRREWZMSPNPKC-CQSZACIVSA-N 1 0 397.508 2.238 20 0 GEADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000737264635 599265304 /nfs/dbraw/zinc/26/53/04/599265304.db2.gz VEWXRGUSCQSMCA-KBPBESRZSA-N 1 0 399.474 2.196 20 0 GEADRO CCOC(=O)CCCCC[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736591434 599268568 /nfs/dbraw/zinc/26/85/68/599268568.db2.gz DQKMTBQUZFTIFU-UHFFFAOYSA-N 1 0 390.463 2.251 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000738388966 599272211 /nfs/dbraw/zinc/27/22/11/599272211.db2.gz UTJLUILMZKVPRZ-HKUYNNGSSA-N 1 0 397.504 2.397 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC[N@@H+]1C ZINC000820658853 599276453 /nfs/dbraw/zinc/27/64/53/599276453.db2.gz VBJGJZKRXMBDKT-ONGXEEELSA-N 1 0 381.387 2.072 20 0 GEADRO C[C@@H](NC(=O)CSCc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C[NH+](C)C ZINC000736104714 599278061 /nfs/dbraw/zinc/27/80/61/599278061.db2.gz JCMPHVOQJINFIS-CYBMUJFWSA-N 1 0 376.530 2.192 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736569334 598237859 /nfs/dbraw/zinc/23/78/59/598237859.db2.gz GDSKSUQPTAOYOA-SFHVURJKSA-N 1 0 384.484 2.111 20 0 GEADRO O=[S@@](CC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738358487 598246818 /nfs/dbraw/zinc/24/68/18/598246818.db2.gz 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Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000737549319 598288467 /nfs/dbraw/zinc/28/84/67/598288467.db2.gz VTJRZIBDTDAHQX-UHFFFAOYSA-N 1 0 397.483 2.363 20 0 GEADRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000736417644 598300419 /nfs/dbraw/zinc/30/04/19/598300419.db2.gz UFTOBCKBHWTQGZ-HNNXBMFYSA-N 1 0 381.484 2.248 20 0 GEADRO C[N@H+](CCCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)C1CCCCC1 ZINC000736800475 598317720 /nfs/dbraw/zinc/31/77/20/598317720.db2.gz KPZDOKSHFULAIU-UHFFFAOYSA-N 1 0 389.479 2.460 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000738410238 598321137 /nfs/dbraw/zinc/32/11/37/598321137.db2.gz XHQRANNKMDCEHO-KGLIPLIRSA-N 1 0 377.905 2.433 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736265845 598325308 /nfs/dbraw/zinc/32/53/08/598325308.db2.gz DJOJNDMBPPLBFA-CYBMUJFWSA-N 1 0 375.452 2.070 20 0 GEADRO CCCC[N@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)[C@@H](C)CC ZINC000736457085 598334311 /nfs/dbraw/zinc/33/43/11/598334311.db2.gz NPFLOEWNIYHCBN-HNNXBMFYSA-N 1 0 399.499 2.489 20 0 GEADRO Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3cc(-c4nn[nH]n4)ccc3F)C2)nn1 ZINC000737351209 598341099 /nfs/dbraw/zinc/34/10/99/598341099.db2.gz KSVMKMIXZBJICG-INIZCTEOSA-N 1 0 382.447 2.205 20 0 GEADRO Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3F)C2)nn1 ZINC000737353404 598341580 /nfs/dbraw/zinc/34/15/80/598341580.db2.gz WFDMXSCTNVPIFA-INIZCTEOSA-N 1 0 382.447 2.205 20 0 GEADRO COc1ccccc1[C@@H](CNc1nccnc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000737143643 598345689 /nfs/dbraw/zinc/34/56/89/598345689.db2.gz YBDPUTOGNLXCCT-OAHLLOKOSA-N 1 0 380.456 2.304 20 0 GEADRO CN(c1cccnn1)C1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736842614 598357502 /nfs/dbraw/zinc/35/75/02/598357502.db2.gz DIUODPBNWNESJS-UHFFFAOYSA-N 1 0 389.467 2.010 20 0 GEADRO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736286812 598366159 /nfs/dbraw/zinc/36/61/59/598366159.db2.gz NTQRHXJPGMKHTM-JXFKEZNVSA-N 1 0 378.480 2.106 20 0 GEADRO Cc1nc(CN2CCC[N@H+](CCOc3ccccc3-c3nn[nH]n3)CC2)oc1C ZINC000737478959 598367632 /nfs/dbraw/zinc/36/76/32/598367632.db2.gz XNTOGQCDXHMXCH-UHFFFAOYSA-N 1 0 397.483 2.058 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000735827104 598375434 /nfs/dbraw/zinc/37/54/34/598375434.db2.gz FEAHEFVMKTWJOU-UHFFFAOYSA-N 1 0 376.509 2.475 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736768199 598383998 /nfs/dbraw/zinc/38/39/98/598383998.db2.gz AQFAYDCXBIAZQX-UHFFFAOYSA-N 1 0 397.458 2.008 20 0 GEADRO CC(=O)c1csc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735503059 598401128 /nfs/dbraw/zinc/40/11/28/598401128.db2.gz GMWOBJPSNADGJA-UHFFFAOYSA-N 1 0 398.492 2.335 20 0 GEADRO O=C(CCN1CC[C@@H]([NH+]2CCCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737839869 598423849 /nfs/dbraw/zinc/42/38/49/598423849.db2.gz VULRUAGSONAXJO-CQSZACIVSA-N 1 0 389.891 2.019 20 0 GEADRO COC1CC[NH+](C2(CNC(=O)Nc3cccc(-c4nn[nH]n4)c3)CCCC2)CC1 ZINC000736964150 598472012 /nfs/dbraw/zinc/47/20/12/598472012.db2.gz ZXCLWTQPBOAKNA-UHFFFAOYSA-N 1 0 399.499 2.412 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000736268541 598477543 /nfs/dbraw/zinc/47/75/43/598477543.db2.gz XWUUQRYIFMMXDR-HNNXBMFYSA-N 1 0 383.500 2.273 20 0 GEADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N1CCN(c2ccccc2)CC1 ZINC000736026431 598492811 /nfs/dbraw/zinc/49/28/11/598492811.db2.gz UMFIOJFLPDXXEN-QGZVFWFLSA-N 1 0 377.496 2.167 20 0 GEADRO Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CCS2 ZINC000737668545 598520751 /nfs/dbraw/zinc/52/07/51/598520751.db2.gz VXATXRPDOLKJNW-QMTHXVAHSA-N 1 0 386.460 2.071 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CC1(c3ccccc3)CCCC1)C2 ZINC000738428122 598520770 /nfs/dbraw/zinc/52/07/70/598520770.db2.gz KACMKACLUYIQSX-HNNXBMFYSA-N 1 0 378.484 2.207 20 0 GEADRO CC(C)(C)c1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735648450 598521140 /nfs/dbraw/zinc/52/11/40/598521140.db2.gz FHCRLMDBSFDFJG-HNNXBMFYSA-N 1 0 380.500 2.235 20 0 GEADRO CC(C)(C)c1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735648451 598521175 /nfs/dbraw/zinc/52/11/75/598521175.db2.gz FHCRLMDBSFDFJG-OAHLLOKOSA-N 1 0 380.500 2.235 20 0 GEADRO CCCCOc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736462505 598522884 /nfs/dbraw/zinc/52/28/84/598522884.db2.gz DAUTZGZGPSDQBW-MRXNPFEDSA-N 1 0 396.499 2.116 20 0 GEADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737285793 598525267 /nfs/dbraw/zinc/52/52/67/598525267.db2.gz VBNQHDULMSBBRC-WFASDCNBSA-N 1 0 382.472 2.310 20 0 GEADRO Clc1cc(Cl)cc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000737567288 598526448 /nfs/dbraw/zinc/52/64/48/598526448.db2.gz ZKMIQFVMCKHWKN-LLVKDONJSA-N 1 0 393.282 2.244 20 0 GEADRO CC(C)(C)c1ccccc1OCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735652946 598539726 /nfs/dbraw/zinc/53/97/26/598539726.db2.gz YWSBOTUMJMVWSC-AWEZNQCLSA-N 1 0 396.499 2.071 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736002652 598558009 /nfs/dbraw/zinc/55/80/09/598558009.db2.gz SFUXZJLYDQWWIP-NSHDSACASA-N 1 0 395.414 2.464 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736267506 598594774 /nfs/dbraw/zinc/59/47/74/598594774.db2.gz SQLANFQYTPSNJW-GJYPPUQNSA-N 1 0 397.527 2.072 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736265642 598595782 /nfs/dbraw/zinc/59/57/82/598595782.db2.gz KPUFLFHIEZFICJ-GJYPPUQNSA-N 1 0 397.527 2.072 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000737545955 598614074 /nfs/dbraw/zinc/61/40/74/598614074.db2.gz AHIWXMZBOKOPFI-LSDHHAIUSA-N 1 0 395.467 2.258 20 0 GEADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738075969 598625258 /nfs/dbraw/zinc/62/52/58/598625258.db2.gz TXYABLCZXANGOZ-UHFFFAOYSA-N 1 0 381.415 2.186 20 0 GEADRO CC(C)c1ocnc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735954027 598652581 /nfs/dbraw/zinc/65/25/81/598652581.db2.gz QZPVOGREQWOXEO-UHFFFAOYSA-N 1 0 383.456 2.182 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000736170292 598666276 /nfs/dbraw/zinc/66/62/76/598666276.db2.gz PBFCJVQDFCFQDG-JKSUJKDBSA-N 1 0 394.479 2.271 20 0 GEADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2sccc2-c2nn[nH]n2)cc1 ZINC000736767209 598671273 /nfs/dbraw/zinc/67/12/73/598671273.db2.gz OANGSGNWQMCCHU-UHFFFAOYSA-N 1 0 386.481 2.189 20 0 GEADRO Cc1cccc(NC[C@@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)C2)[nH+]1 ZINC000737400540 598671535 /nfs/dbraw/zinc/67/15/35/598671535.db2.gz VKIDIPLYXDAXDE-AWEZNQCLSA-N 1 0 376.468 2.392 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736003391 598682831 /nfs/dbraw/zinc/68/28/31/598682831.db2.gz XYEHGYKXEZGWIT-INIZCTEOSA-N 1 0 386.500 2.406 20 0 GEADRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000736871454 598705235 /nfs/dbraw/zinc/70/52/35/598705235.db2.gz UPIOSCSWBWKNCT-KRWDZBQOSA-N 1 0 376.464 2.492 20 0 GEADRO Cc1nc(C[C@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)no1 ZINC000737471217 598716814 /nfs/dbraw/zinc/71/68/14/598716814.db2.gz FOCQJGKPJFCITN-CQSZACIVSA-N 1 0 378.440 2.266 20 0 GEADRO Cc1ncc(C=CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737490150 598763478 /nfs/dbraw/zinc/76/34/78/598763478.db2.gz QRWQIBWMEBWNJI-CMDGGOBGSA-N 1 0 397.508 2.235 20 0 GEADRO NC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737758625 598767119 /nfs/dbraw/zinc/76/71/19/598767119.db2.gz ANTLTZZVMMCARA-UHFFFAOYSA-N 1 0 378.436 2.009 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[nH]n1 ZINC000736453963 598767678 /nfs/dbraw/zinc/76/76/78/598767678.db2.gz VFKIUMPZGQIVJV-UHFFFAOYSA-N 1 0 389.529 2.323 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCCc1ccccn1 ZINC000736767895 598805560 /nfs/dbraw/zinc/80/55/60/598805560.db2.gz TWVZFHDIJKGYNM-UHFFFAOYSA-N 1 0 393.495 2.175 20 0 GEADRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c(C)n1 ZINC000737310337 598806058 /nfs/dbraw/zinc/80/60/58/598806058.db2.gz YLAYDYKVXOTOOT-UHFFFAOYSA-N 1 0 379.468 2.083 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[nH]n1 ZINC000736533434 598812084 /nfs/dbraw/zinc/81/20/84/598812084.db2.gz GRZNDXFLWGGSHY-NSHDSACASA-N 1 0 391.545 2.126 20 0 GEADRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736973967 598820579 /nfs/dbraw/zinc/82/05/79/598820579.db2.gz VUYOPDRHZYDPDL-GFCCVEGCSA-N 1 0 390.513 2.104 20 0 GEADRO C[C@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C[C@@H]1[NH+](C)C ZINC000736294002 599298171 /nfs/dbraw/zinc/29/81/71/599298171.db2.gz VTBYCKTXSYAOHC-GUYCJALGSA-N 1 0 393.451 2.076 20 0 GEADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000736196546 599307340 /nfs/dbraw/zinc/30/73/40/599307340.db2.gz JNUPOHLSULSRSV-MRXNPFEDSA-N 1 0 388.479 2.393 20 0 GEADRO C[C@H]1CC[C@@H](CCC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820684085 599311091 /nfs/dbraw/zinc/31/10/91/599311091.db2.gz LWVPQBPBUJWLLM-LPHOPBHVSA-N 1 0 398.511 2.249 20 0 GEADRO Fc1cccc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1-c1nn[nH]n1 ZINC000822791554 599320047 /nfs/dbraw/zinc/32/00/47/599320047.db2.gz JHJJMYZKSMSWPE-UHFFFAOYSA-N 1 0 380.427 2.263 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2c1 ZINC000737248858 599320422 /nfs/dbraw/zinc/32/04/22/599320422.db2.gz NIRITVHAGGOCBT-QZTJIDSGSA-N 1 0 393.495 2.067 20 0 GEADRO CC[C@]1(C)CCC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820950130 599329286 /nfs/dbraw/zinc/32/92/86/599329286.db2.gz JYPHEWYDEUNFPI-HXUWFJFHSA-N 1 0 397.483 2.101 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736766618 599352624 /nfs/dbraw/zinc/35/26/24/599352624.db2.gz FGINEYVOAUDZTN-CYBMUJFWSA-N 1 0 393.879 2.095 20 0 GEADRO Cc1csc(C2([NH2+]C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCC2)n1 ZINC000737455206 599355856 /nfs/dbraw/zinc/35/58/56/599355856.db2.gz NYVXQQYIDUGKDI-AWEZNQCLSA-N 1 0 386.481 2.040 20 0 GEADRO Cc1cnc(N2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)s1 ZINC000737446227 599357418 /nfs/dbraw/zinc/35/74/18/599357418.db2.gz ODNLDVITLITWTC-UHFFFAOYSA-N 1 0 380.481 2.207 20 0 GEADRO O=C1CCCCN1CC1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000738302906 599358673 /nfs/dbraw/zinc/35/86/73/599358673.db2.gz ORWWVNRRTUCCBD-UHFFFAOYSA-N 1 0 393.495 2.344 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820433671 599365498 /nfs/dbraw/zinc/36/54/98/599365498.db2.gz ZXESVYBMKLQMEV-OAHLLOKOSA-N 1 0 392.463 2.190 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820413464 599389460 /nfs/dbraw/zinc/38/94/60/599389460.db2.gz QLCRZNDONIZCTA-KGLIPLIRSA-N 1 0 382.443 2.404 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)Nc1ccccc1 ZINC000820413532 599390078 /nfs/dbraw/zinc/39/00/78/599390078.db2.gz RNHTZYLBYNDPAI-STQMWFEESA-N 1 0 379.424 2.254 20 0 GEADRO COc1cccc([C@H](C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)N(C)C)c1 ZINC000821859555 599391848 /nfs/dbraw/zinc/39/18/48/599391848.db2.gz QJSDLCPTIRDSAP-SFHVURJKSA-N 1 0 382.468 2.276 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1-c1nn[nH]n1 ZINC000821818237 599401400 /nfs/dbraw/zinc/40/14/00/599401400.db2.gz LTRUDQXOFMHVQQ-UHFFFAOYSA-N 1 0 375.436 2.410 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)cc1-c1nn[nH]n1 ZINC000821818501 599412428 /nfs/dbraw/zinc/41/24/28/599412428.db2.gz TXDBVQUNNLVCLP-UHFFFAOYSA-N 1 0 392.463 2.288 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cc1-c1nn[nH]n1 ZINC000821817894 599415224 /nfs/dbraw/zinc/41/52/24/599415224.db2.gz AQILFRQZJIOMHA-UHFFFAOYSA-N 1 0 379.399 2.490 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000820722934 599417918 /nfs/dbraw/zinc/41/79/18/599417918.db2.gz RUFCZUKJUFYLEQ-UHFFFAOYSA-N 1 0 389.479 2.317 20 0 GEADRO COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4nnn[n-]4)o3)CC2)cc1 ZINC000821794487 599419602 /nfs/dbraw/zinc/41/96/02/599419602.db2.gz IPVUQMYGUYAPFZ-UHFFFAOYSA-N 1 0 382.468 2.470 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nc(C)n3)C2)cc1-c1nn[nH]n1 ZINC000821803326 599431075 /nfs/dbraw/zinc/43/10/75/599431075.db2.gz FJCVCUUHAKLDLK-INIZCTEOSA-N 1 0 394.483 2.041 20 0 GEADRO COc1ccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821813460 599437626 /nfs/dbraw/zinc/43/76/26/599437626.db2.gz HSTUNQKMRMLWJJ-UHFFFAOYSA-N 1 0 392.463 2.288 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821809776 599442100 /nfs/dbraw/zinc/44/21/00/599442100.db2.gz RTVNAOFFKYGLRK-KXBFYZLASA-N 1 0 393.495 2.271 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2=O)cc1-c1nn[nH]n1 ZINC000821804895 599451854 /nfs/dbraw/zinc/45/18/54/599451854.db2.gz QPNAOUYCZNOITQ-SFHVURJKSA-N 1 0 392.463 2.469 20 0 GEADRO CCc1ccc([C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N(C)C)cc1 ZINC000736689499 599482787 /nfs/dbraw/zinc/48/27/87/599482787.db2.gz YFVLPGGWSFTERN-IBGZPJMESA-N 1 0 390.495 2.469 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCCOCCc1ccccc1 ZINC000738432549 599485602 /nfs/dbraw/zinc/48/56/02/599485602.db2.gz ITXKTOBQSXELKU-UHFFFAOYSA-N 1 0 377.452 2.253 20 0 GEADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000736480762 599492500 /nfs/dbraw/zinc/49/25/00/599492500.db2.gz NDWPYMOMHSTMQD-SFHVURJKSA-N 1 0 383.500 2.273 20 0 GEADRO C[C@@H](CC[NH+](C)C)Nc1c(-c2nn[nH]n2)cnc2ccc(OC(F)F)cc21 ZINC000820243155 599500347 /nfs/dbraw/zinc/50/03/47/599500347.db2.gz WTKMSIPKZSGIMJ-JTQLQIEISA-N 1 0 377.399 2.190 20 0 GEADRO O=C(N[C@H]1CC=CCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738024017 599507180 /nfs/dbraw/zinc/50/71/80/599507180.db2.gz XBQUFVVWTVDITA-SFHVURJKSA-N 1 0 381.484 2.193 20 0 GEADRO C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2F)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820768612 599530612 /nfs/dbraw/zinc/53/06/12/599530612.db2.gz OTTVOOVISKBOMS-LIRRHRJNSA-N 1 0 382.443 2.250 20 0 GEADRO 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CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821001389 606275048 /nfs/dbraw/zinc/27/50/48/606275048.db2.gz RCIIDNFXJJOCKS-DJIMGWMZSA-N 1 0 384.484 2.109 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000445738822 649965167 /nfs/dbraw/zinc/96/51/67/649965167.db2.gz BCXRIQVUTHZUPR-STQMWFEESA-N 1 0 395.472 2.301 20 0 GEADRO COC(=O)[C@H](NC[C@@H](C)[N@H+](C)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000821642028 606306472 /nfs/dbraw/zinc/30/64/72/606306472.db2.gz CKAOTCAAOSRNOG-DNVCBOLYSA-N 1 0 394.479 2.191 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCc2cc(F)ccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561984 606310416 /nfs/dbraw/zinc/31/04/16/606310416.db2.gz MNWFYRAERKTZBX-KRWDZBQOSA-N 1 0 387.440 2.057 20 0 GEADRO CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000821153922 606316739 /nfs/dbraw/zinc/31/67/39/606316739.db2.gz HISAVGBWZPAHGG-WMLDXEAASA-N 1 0 379.468 2.492 20 0 GEADRO C[N@H+](CCc1ccc(F)cc1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821604846 606316813 /nfs/dbraw/zinc/31/68/13/606316813.db2.gz JRXACCIFXGTTCL-HNNXBMFYSA-N 1 0 386.456 2.347 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820650346 606357119 /nfs/dbraw/zinc/35/71/19/606357119.db2.gz TVUONFGTACIYDC-JHJVBQTASA-N 1 0 375.452 2.494 20 0 GEADRO O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823111198 606379088 /nfs/dbraw/zinc/37/90/88/606379088.db2.gz GBGQXSDUBJYDFL-UHFFFAOYSA-N 1 0 394.454 2.283 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC000821255086 606383729 /nfs/dbraw/zinc/38/37/29/606383729.db2.gz UCHBFNWIXMYHLJ-IUODEOHRSA-N 1 0 375.452 2.020 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000821268105 606453579 /nfs/dbraw/zinc/45/35/79/606453579.db2.gz SRZFKXDIEAAMEM-LBPRGKRZSA-N 1 0 383.422 2.323 20 0 GEADRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821114592 606487147 /nfs/dbraw/zinc/48/71/47/606487147.db2.gz YRVAONYTABPMGC-AWEZNQCLSA-N 1 0 394.426 2.206 20 0 GEADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000822732895 606489647 /nfs/dbraw/zinc/48/96/47/606489647.db2.gz NVNBGAXZKZBVQV-CQSZACIVSA-N 1 0 375.383 2.329 20 0 GEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821624954 606494481 /nfs/dbraw/zinc/49/44/81/606494481.db2.gz BCXDDWUDXDKISJ-UHFFFAOYSA-N 1 0 383.481 2.322 20 0 GEADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823363623 606590953 /nfs/dbraw/zinc/59/09/53/606590953.db2.gz JVEKLVDECQVRDV-UHFFFAOYSA-N 1 0 378.436 2.076 20 0 GEADRO COC(=O)CCC1CC[NH+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000821659992 606612567 /nfs/dbraw/zinc/61/25/67/606612567.db2.gz BNZZDVVAJXLZOM-UHFFFAOYSA-N 1 0 397.439 2.082 20 0 GEADRO COc1ccc(C[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)cc1-c1nn[nH]n1 ZINC000821809149 606619627 /nfs/dbraw/zinc/61/96/27/606619627.db2.gz MLJOLWRTLWXLNW-UHFFFAOYSA-N 1 0 394.483 2.041 20 0 GEADRO C[N@@H+](CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C[C@@H]1CCOC1 ZINC000821593707 606623400 /nfs/dbraw/zinc/62/34/00/606623400.db2.gz GLMHNLWFQPLVFR-LBPRGKRZSA-N 1 0 390.513 2.104 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccc([S@@](C)=O)cc1 ZINC000821598193 606623929 /nfs/dbraw/zinc/62/39/29/606623929.db2.gz USABABWCBQMIHS-MUUNZHRXSA-N 1 0 398.492 2.065 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C(=O)N(C)C ZINC000821995042 606628349 /nfs/dbraw/zinc/62/83/49/606628349.db2.gz WBLNIPOTAJRQEU-CQSZACIVSA-N 1 0 380.452 2.012 20 0 GEADRO COc1cc(OC)cc(OCCC[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821724770 606635039 /nfs/dbraw/zinc/63/50/39/606635039.db2.gz XNRKOAXBHLPGDG-UHFFFAOYSA-N 1 0 399.451 2.451 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccc(C)cc2N2CCOCC2)cc1-c1nn[nH]n1 ZINC000821818323 606635263 /nfs/dbraw/zinc/63/52/63/606635263.db2.gz PKIOMBNBZBUAOJ-UHFFFAOYSA-N 1 0 394.479 2.310 20 0 GEADRO C[S@](=O)c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821943955 606640306 /nfs/dbraw/zinc/64/03/06/606640306.db2.gz YOPQXSFBJDJPRH-NDEPHWFRSA-N 1 0 396.520 2.363 20 0 GEADRO c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCN(c2ncnc3c2CCCC3)CC1 ZINC000823821333 606645564 /nfs/dbraw/zinc/64/55/64/606645564.db2.gz SVKACULSZZCBJM-UHFFFAOYSA-N 1 0 390.495 2.248 20 0 GEADRO CCCNC(=O)C1([NH2+]CCCOc2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000821114217 606646299 /nfs/dbraw/zinc/64/62/99/606646299.db2.gz LAIZALOTBVQJMY-UHFFFAOYSA-N 1 0 386.500 2.454 20 0 GEADRO CCCCNC(=O)C1([NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000821065006 606646770 /nfs/dbraw/zinc/64/67/70/606646770.db2.gz DKQFQAVQQLJLFX-UHFFFAOYSA-N 1 0 399.499 2.014 20 0 GEADRO c1nnc([C@H]2CCC[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)n1C1CC1 ZINC000823743291 606656204 /nfs/dbraw/zinc/65/62/04/606656204.db2.gz XFLSOVJMLYLAND-INIZCTEOSA-N 1 0 394.483 2.442 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000819914499 606672561 /nfs/dbraw/zinc/67/25/61/606672561.db2.gz UIMAILGPUDVUAM-UHFFFAOYSA-N 1 0 378.427 2.339 20 0 GEADRO C[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820636359 606717862 /nfs/dbraw/zinc/71/78/62/606717862.db2.gz RPBULRWKJSZYKZ-RXVVDRJESA-N 1 0 379.464 2.270 20 0 GEADRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000820882615 606749852 /nfs/dbraw/zinc/74/98/52/606749852.db2.gz VMXFOLUUZZYCKU-UHFFFAOYSA-N 1 0 394.501 2.195 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCOCC1 ZINC000820403119 606778722 /nfs/dbraw/zinc/77/87/22/606778722.db2.gz HZIGYEHUCFMJKN-MNOVXSKESA-N 1 0 378.864 2.252 20 0 GEADRO c1nc(C2CC2)sc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000823751252 606797390 /nfs/dbraw/zinc/79/73/90/606797390.db2.gz CESXXSUXBABBIN-UHFFFAOYSA-N 1 0 382.497 2.354 20 0 GEADRO C[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C[C@H]1[NH+](C)C ZINC000820767080 606803650 /nfs/dbraw/zinc/80/36/50/606803650.db2.gz FWFCRTUZDJHWGH-MEBBXXQBSA-N 1 0 389.410 2.403 20 0 GEADRO CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821570969 606812466 /nfs/dbraw/zinc/81/24/66/606812466.db2.gz UAHUANDIQOSNJG-IBGZPJMESA-N 1 0 376.464 2.142 20 0 GEADRO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)[C@@H](C)C1 ZINC000820753385 606834375 /nfs/dbraw/zinc/83/43/75/606834375.db2.gz YPGNSEDUVIAJQZ-GWCFXTLKSA-N 1 0 395.414 2.318 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682499 606858674 /nfs/dbraw/zinc/85/86/74/606858674.db2.gz QSVYJKYDRJREAE-IBGZPJMESA-N 1 0 397.454 2.377 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820753570 606860219 /nfs/dbraw/zinc/86/02/19/606860219.db2.gz ZHURHFSIQJRAKA-LKFCYVNXSA-N 1 0 377.905 2.289 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820658829 606862653 /nfs/dbraw/zinc/86/26/53/606862653.db2.gz UZUYIRIWIWMZFR-DNVCBOLYSA-N 1 0 391.479 2.329 20 0 GEADRO c1ccc2c(c1)nc(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)cc2-c1nn[nH]n1 ZINC000823792580 606877746 /nfs/dbraw/zinc/87/77/46/606877746.db2.gz YIWFTHYMWULNDS-MSOLQXFVSA-N 1 0 379.468 2.470 20 0 GEADRO CC[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1COc2ccccc2O1 ZINC000821207541 606883265 /nfs/dbraw/zinc/88/32/65/606883265.db2.gz PSGVIFZODGYPMS-IRXDYDNUSA-N 1 0 381.436 2.062 20 0 GEADRO c1csc(N2CCC[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000823763034 606888579 /nfs/dbraw/zinc/88/85/79/606888579.db2.gz XVGZQVHBJWPGNN-UHFFFAOYSA-N 1 0 385.497 2.304 20 0 GEADRO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000820722671 606890634 /nfs/dbraw/zinc/89/06/34/606890634.db2.gz LJJPQOBPVKGCRE-FXAWDEMLSA-N 1 0 384.528 2.344 20 0 GEADRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222665 606893270 /nfs/dbraw/zinc/89/32/70/606893270.db2.gz WQIQIKVEMAFVJB-IBGZPJMESA-N 1 0 394.479 2.124 20 0 GEADRO O[C@H](CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681567 606894135 /nfs/dbraw/zinc/89/41/35/606894135.db2.gz GVTYPGXTTRUTFW-FXAWDEMLSA-N 1 0 384.528 2.488 20 0 GEADRO c1cnnc(NC2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000823762872 606896467 /nfs/dbraw/zinc/89/64/67/606896467.db2.gz VONOPFBDEMATLD-UHFFFAOYSA-N 1 0 380.456 2.002 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820656490 606903773 /nfs/dbraw/zinc/90/37/73/606903773.db2.gz FUZZTEIXCFREIG-BEFAXECRSA-N 1 0 376.464 2.188 20 0 GEADRO C[C@H]1C[C@H](NC(=O)COc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820658423 606903838 /nfs/dbraw/zinc/90/38/38/606903838.db2.gz SDFJZGRIMLLFOH-YJBOKZPZSA-N 1 0 392.463 2.025 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)COc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820658422 606903883 /nfs/dbraw/zinc/90/38/83/606903883.db2.gz SDFJZGRIMLLFOH-QAPCUYQASA-N 1 0 392.463 2.025 20 0 GEADRO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821653671 606908313 /nfs/dbraw/zinc/90/83/13/606908313.db2.gz HIYYGXLXRFURDB-GBESFXJTSA-N 1 0 399.495 2.344 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614484 606909513 /nfs/dbraw/zinc/90/95/13/606909513.db2.gz IGMOHXQXKLHQHR-UXHICEINSA-N 1 0 378.480 2.106 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000821268167 606910692 /nfs/dbraw/zinc/91/06/92/606910692.db2.gz UVKVIQYMGDPPSE-LBPRGKRZSA-N 1 0 383.422 2.323 20 0 GEADRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819927951 606913822 /nfs/dbraw/zinc/91/38/22/606913822.db2.gz CNFVMMRBDIMTNO-PBHICJAKSA-N 1 0 387.484 2.344 20 0 GEADRO CCc1nnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1CC ZINC000821529119 606917566 /nfs/dbraw/zinc/91/75/66/606917566.db2.gz SXPWFTKXORBTSB-OAHLLOKOSA-N 1 0 378.484 2.468 20 0 GEADRO CCc1nnc(NC2CC[NH+](Cc3ccncc3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821528465 606922447 /nfs/dbraw/zinc/92/24/47/606922447.db2.gz NOYZONBYWNITKX-UHFFFAOYSA-N 1 0 393.499 2.253 20 0 GEADRO Cc1ccc(C)c(N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822232011 606990450 /nfs/dbraw/zinc/99/04/50/606990450.db2.gz QITBOXZFXXGHQM-HXUWFJFHSA-N 1 0 378.480 2.339 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446065234 649970040 /nfs/dbraw/zinc/97/00/40/649970040.db2.gz ZRDXQDAIJAVMBH-INIZCTEOSA-N 1 0 399.329 2.379 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[nH]n1 ZINC000821099182 607042855 /nfs/dbraw/zinc/04/28/55/607042855.db2.gz AUKOXFFOGLEVPD-UHFFFAOYSA-N 1 0 389.529 2.275 20 0 GEADRO c1ccc2c(c1)CC[C@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)C2 ZINC000823797806 607046886 /nfs/dbraw/zinc/04/68/86/607046886.db2.gz SHKUFIQHYSMCLM-IBGZPJMESA-N 1 0 375.480 2.378 20 0 GEADRO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821607573 607056319 /nfs/dbraw/zinc/05/63/19/607056319.db2.gz UYJIRYLAFPQHQE-UHFFFAOYSA-N 1 0 382.443 2.474 20 0 GEADRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820225354 607058281 /nfs/dbraw/zinc/05/82/81/607058281.db2.gz HIQHJTVSHFULSG-AWEZNQCLSA-N 1 0 382.443 2.233 20 0 GEADRO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822552466 607062947 /nfs/dbraw/zinc/06/29/47/607062947.db2.gz AWKUHFUVFFZQFH-UHFFFAOYSA-N 1 0 384.415 2.302 20 0 GEADRO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821602670 607068745 /nfs/dbraw/zinc/06/87/45/607068745.db2.gz NGLHQIJLRCAJHW-UHFFFAOYSA-N 1 0 395.486 2.260 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CSCc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625601 607071392 /nfs/dbraw/zinc/07/13/92/607071392.db2.gz RPCRJMIUOQDZPJ-DLBZAZTESA-N 1 0 386.525 2.043 20 0 GEADRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822299873 607075006 /nfs/dbraw/zinc/07/50/06/607075006.db2.gz XPYHFLKEHMZBIN-LPHOPBHVSA-N 1 0 380.452 2.147 20 0 GEADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000821650831 607106681 /nfs/dbraw/zinc/10/66/81/607106681.db2.gz ZNCYPAKXNYFXSY-SFHVURJKSA-N 1 0 384.484 2.031 20 0 GEADRO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822997080 607107632 /nfs/dbraw/zinc/10/76/32/607107632.db2.gz MTXIIPODXRBACR-SGTLLEGYSA-N 1 0 390.875 2.086 20 0 GEADRO COC(=O)CC1([NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)CCCCC1 ZINC000821658982 607120475 /nfs/dbraw/zinc/12/04/75/607120475.db2.gz NXVKUAMHNIFNIE-UHFFFAOYSA-N 1 0 392.485 2.112 20 0 GEADRO O=C(CC[N@@H+](CCCO)Cc1ccccc1)Nc1ccccc1-c1nn[nH]n1 ZINC000822965047 607147682 /nfs/dbraw/zinc/14/76/82/607147682.db2.gz YCVMUZXFNRSEPS-UHFFFAOYSA-N 1 0 380.452 2.080 20 0 GEADRO Cn1nnc2cc(C[NH+]3CCC(Oc4cccc(-c5nn[nH]n5)c4)CC3)ccc21 ZINC000822714776 607174786 /nfs/dbraw/zinc/17/47/86/607174786.db2.gz UGUSEIANWSITOP-UHFFFAOYSA-N 1 0 390.451 2.192 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821189377 607204221 /nfs/dbraw/zinc/20/42/21/607204221.db2.gz LCZOSEKKSPOWSN-UHFFFAOYSA-N 1 0 395.895 2.342 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)cc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000822723656 607228574 /nfs/dbraw/zinc/22/85/74/607228574.db2.gz JUFPDWAZLJFHKS-GFCCVEGCSA-N 1 0 382.390 2.044 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1cccs1 ZINC000821579569 607231408 /nfs/dbraw/zinc/23/14/08/607231408.db2.gz GTUNPSWDBJSIEC-NSHDSACASA-N 1 0 377.861 2.009 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC000820648947 607233516 /nfs/dbraw/zinc/23/35/16/607233516.db2.gz GWMWQJMOIKXXRJ-TXEJJXNPSA-N 1 0 391.907 2.401 20 0 GEADRO C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[nH]n3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000824877212 607795732 /nfs/dbraw/zinc/79/57/32/607795732.db2.gz WYRNCUFBUMXKNR-DOTOQJQBSA-N 1 0 391.479 2.292 20 0 GEADRO C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000824877215 607795752 /nfs/dbraw/zinc/79/57/52/607795752.db2.gz WYRNCUFBUMXKNR-RDJZCZTQSA-N 1 0 391.479 2.292 20 0 GEADRO C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000824428557 607815150 /nfs/dbraw/zinc/81/51/50/607815150.db2.gz SQWOQFSGWMIMCS-CYBMUJFWSA-N 1 0 389.456 2.173 20 0 GEADRO C[C@@H](Cc1ccccc1F)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824457297 607815230 /nfs/dbraw/zinc/81/52/30/607815230.db2.gz JFRYNFHDTUHYOB-ZDUSSCGKSA-N 1 0 389.456 2.000 20 0 GEADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824899900 607828861 /nfs/dbraw/zinc/82/88/61/607828861.db2.gz QAUJJTKLPBDESF-KEYYUXOJSA-N 1 0 375.498 2.293 20 0 GEADRO CCc1noc(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825771957 607857788 /nfs/dbraw/zinc/85/77/88/607857788.db2.gz WMHZSMGFGJNCAA-UHFFFAOYSA-N 1 0 398.471 2.321 20 0 GEADRO O=C(C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826409980 607858426 /nfs/dbraw/zinc/85/84/26/607858426.db2.gz WTXYWQUYOUAURR-LJQANCHMSA-N 1 0 392.463 2.078 20 0 GEADRO CCOc1cc(-c2nn[nH]n2)ccc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000825608647 607871519 /nfs/dbraw/zinc/87/15/19/607871519.db2.gz AZYWOVVBMPEKRE-KRWDZBQOSA-N 1 0 383.452 2.137 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824487338 607911591 /nfs/dbraw/zinc/91/15/91/607911591.db2.gz ANHZPBIOZGZOBQ-KDOFPFPSSA-N 1 0 383.500 2.301 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(C)(C)Oc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000826022983 607912021 /nfs/dbraw/zinc/91/20/21/607912021.db2.gz UUSUXEKUBIBVIE-QGZVFWFLSA-N 1 0 398.511 2.214 20 0 GEADRO COc1ccc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)cc1-c1nn[nH]n1 ZINC000826202724 607977249 /nfs/dbraw/zinc/97/72/49/607977249.db2.gz KTGHSTQIZQFAPQ-UHFFFAOYSA-N 1 0 394.357 2.458 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccccc1 ZINC000826028508 607978614 /nfs/dbraw/zinc/97/86/14/607978614.db2.gz BLILMSQISGGJLT-ROUUACIJSA-N 1 0 377.452 2.111 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826029347 607978814 /nfs/dbraw/zinc/97/88/14/607978814.db2.gz RECKEDUHIIBGES-MSOLQXFVSA-N 1 0 377.452 2.111 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H]1c1ccccc1 ZINC000826029099 607979623 /nfs/dbraw/zinc/97/96/23/607979623.db2.gz OEKDIQDXQZQBCF-ROUUACIJSA-N 1 0 395.442 2.250 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000824731200 608007588 /nfs/dbraw/zinc/00/75/88/608007588.db2.gz TTYYBBHFTGJKIB-KYNGSXCRSA-N 1 0 392.463 2.196 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)CC/C=C\c2ccccc2)c1-c1nn[nH]n1 ZINC000826077651 608020566 /nfs/dbraw/zinc/02/05/66/608020566.db2.gz PJFSBBMFHCOXMS-YHYXMXQVSA-N 1 0 380.456 2.174 20 0 GEADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccc[nH]1 ZINC000824487359 608032519 /nfs/dbraw/zinc/03/25/19/608032519.db2.gz ARSAHZBCQZHMEN-AWEZNQCLSA-N 1 0 382.472 2.029 20 0 GEADRO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824776498 608037026 /nfs/dbraw/zinc/03/70/26/608037026.db2.gz BPBCXPYQDKKMCT-LBPRGKRZSA-N 1 0 393.455 2.453 20 0 GEADRO Cc1cccc(C)c1OCCC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000826296880 608037566 /nfs/dbraw/zinc/03/75/66/608037566.db2.gz NEHIQVLWVTUMMM-UHFFFAOYSA-N 1 0 384.488 2.122 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000823826540 608047067 /nfs/dbraw/zinc/04/70/67/608047067.db2.gz KZJUGABUZMVONU-UHFFFAOYSA-N 1 0 386.257 2.351 20 0 GEADRO CC(C)[C@@H](C(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)[NH+]1CCCCC1 ZINC000824185343 608089498 /nfs/dbraw/zinc/08/94/98/608089498.db2.gz WQDXMNIXPAGMAB-MOPGFXCFSA-N 1 0 398.511 2.277 20 0 GEADRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1sccc1-c1nn[nH]n1 ZINC000826453300 608108159 /nfs/dbraw/zinc/10/81/59/608108159.db2.gz GALQNJLERCLKCW-UHFFFAOYSA-N 1 0 384.465 2.137 20 0 GEADRO NC(=O)[C@H]([NH2+]CC1(c2ccccc2Cl)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388898 608111343 /nfs/dbraw/zinc/11/13/43/608111343.db2.gz LNLXVYCPWQXTGY-MRXNPFEDSA-N 1 0 382.855 2.368 20 0 GEADRO COc1ccc(C[NH2+]Cc2cccnc2OCC(F)F)cc1-c1nn[nH]n1 ZINC000826202491 608113886 /nfs/dbraw/zinc/11/38/86/608113886.db2.gz BPKCKEABCDUENM-UHFFFAOYSA-N 1 0 376.367 2.204 20 0 GEADRO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC000824343124 608119393 /nfs/dbraw/zinc/11/93/93/608119393.db2.gz XTTDCTWEMADAMH-UHFFFAOYSA-N 1 0 395.467 2.326 20 0 GEADRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)no1 ZINC000824341799 608119611 /nfs/dbraw/zinc/11/96/11/608119611.db2.gz CXVVQLDQLUFZKR-UHFFFAOYSA-N 1 0 383.456 2.182 20 0 GEADRO C[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)[NH+]1CCCCC1 ZINC000824400886 608126438 /nfs/dbraw/zinc/12/64/38/608126438.db2.gz LWRSPHOWAWFMFG-LBPRGKRZSA-N 1 0 398.920 2.063 20 0 GEADRO Cc1ccc([C@@H]2CC[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826286212 608127719 /nfs/dbraw/zinc/12/77/19/608127719.db2.gz VUAVJCBZFNKTCL-LJQANCHMSA-N 1 0 376.464 2.281 20 0 GEADRO Cc1cc(C)cc([C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264110 608128440 /nfs/dbraw/zinc/12/84/40/608128440.db2.gz CCZZDSSUPNKPIL-PKOBYXMFSA-N 1 0 376.464 2.499 20 0 GEADRO O=C(CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407559 608128807 /nfs/dbraw/zinc/12/88/07/608128807.db2.gz SCRUQQYYHNAOEB-MRXNPFEDSA-N 1 0 396.426 2.488 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C[C@H]21 ZINC000824109019 608129489 /nfs/dbraw/zinc/12/94/89/608129489.db2.gz MGXLTKSXOIYMRK-BZUAXINKSA-N 1 0 399.499 2.387 20 0 GEADRO COCCN1CC[C@H]([NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)C1 ZINC000826159322 608131267 /nfs/dbraw/zinc/13/12/67/608131267.db2.gz BCIHSCILZQWTCQ-INIZCTEOSA-N 1 0 384.509 2.406 20 0 GEADRO c1cn(CCC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)nn1 ZINC000826516526 608135890 /nfs/dbraw/zinc/13/58/90/608135890.db2.gz NYIRJVLZVUVTMQ-UHFFFAOYSA-N 1 0 390.451 2.217 20 0 GEADRO CCC[C@@H](C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC000825225805 608200872 /nfs/dbraw/zinc/20/08/72/608200872.db2.gz XTMCPCHKRISLNU-AWEZNQCLSA-N 1 0 375.433 2.104 20 0 GEADRO O=C([C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2)N1CCCCC1 ZINC000826397839 608212547 /nfs/dbraw/zinc/21/25/47/608212547.db2.gz LMUIRYOHRCYBJH-GOSISDBHSA-N 1 0 380.496 2.481 20 0 GEADRO C[NH+](C)C1CN(C(=O)c2ccccc2Sc2ccccc2-c2nn[nH]n2)C1 ZINC000825854452 608214382 /nfs/dbraw/zinc/21/43/82/608214382.db2.gz BFRYQGZSBXYJRK-UHFFFAOYSA-N 1 0 380.477 2.404 20 0 GEADRO CCC[C@@H]1CN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)CC[N@@H+]1CCOC ZINC000825259570 608236217 /nfs/dbraw/zinc/23/62/17/608236217.db2.gz JICUQMPOGVCTQX-QGZVFWFLSA-N 1 0 381.484 2.352 20 0 GEADRO O=C(COc1cccc(-c2nn[nH]n2)c1)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000826418780 608249362 /nfs/dbraw/zinc/24/93/62/608249362.db2.gz WEABHQUEWNYUDA-OAHLLOKOSA-N 1 0 383.408 2.046 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826182882 608256161 /nfs/dbraw/zinc/25/61/61/608256161.db2.gz XELNALUCBUEUDK-AWEZNQCLSA-N 1 0 380.456 2.250 20 0 GEADRO C[C@@H](CCO)[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000824406389 608267971 /nfs/dbraw/zinc/26/79/71/608267971.db2.gz IOXOHNAPCRTTOQ-INIZCTEOSA-N 1 0 394.479 2.468 20 0 GEADRO c1c2c(nc(N3CCC(CC[NH+]4CCOCC4)CC3)c1-c1nn[nH]n1)CCCC2 ZINC000826511945 608280450 /nfs/dbraw/zinc/28/04/50/608280450.db2.gz KDUAINJWUVBACX-UHFFFAOYSA-N 1 0 397.527 2.079 20 0 GEADRO CC(C)OCC[NH+]1CCC(Nc2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000824315697 608292901 /nfs/dbraw/zinc/29/29/01/608292901.db2.gz UZCJDBUHUJHCLA-UHFFFAOYSA-N 1 0 385.516 2.442 20 0 GEADRO COCC1(C)CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826152799 608297918 /nfs/dbraw/zinc/29/79/18/608297918.db2.gz NWBABWLOOAPLMV-UHFFFAOYSA-N 1 0 382.472 2.140 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C[C@@H]1C ZINC000825444197 608315130 /nfs/dbraw/zinc/31/51/30/608315130.db2.gz JWUFINLWZRMJPB-STQMWFEESA-N 1 0 383.456 2.114 20 0 GEADRO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825981071 608316738 /nfs/dbraw/zinc/31/67/38/608316738.db2.gz OCIHRAWUYVDNPH-IBGZPJMESA-N 1 0 380.496 2.400 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407728 608324429 /nfs/dbraw/zinc/32/44/29/608324429.db2.gz YCVJKQDQVRFMJN-ZIAGYGMSSA-N 1 0 390.513 2.395 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000826168409 608354915 /nfs/dbraw/zinc/35/49/15/608354915.db2.gz LULKCPIQVOFEFJ-HNNXBMFYSA-N 1 0 398.511 2.346 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(N(C)c2ccc(C)nn2)CC1 ZINC000826168599 608358537 /nfs/dbraw/zinc/35/85/37/608358537.db2.gz SCDWYGPQJKKKLW-UHFFFAOYSA-N 1 0 394.483 2.075 20 0 GEADRO C[C@@]1(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CCCc2ccccc21 ZINC000824823822 608389646 /nfs/dbraw/zinc/38/96/46/608389646.db2.gz PFDFYFNANLXMRL-RXVVDRJESA-N 1 0 376.464 2.277 20 0 GEADRO C[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2F)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000824983555 608391520 /nfs/dbraw/zinc/39/15/20/608391520.db2.gz BNAYKZNKPKKEBA-BEFAXECRSA-N 1 0 396.470 2.246 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000826183552 608410477 /nfs/dbraw/zinc/41/04/77/608410477.db2.gz SHFSLVUKXZMMGM-CQSZACIVSA-N 1 0 380.456 2.181 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825451184 608418060 /nfs/dbraw/zinc/41/80/60/608418060.db2.gz HBTDLTPYQDAGBW-SFHVURJKSA-N 1 0 381.484 2.150 20 0 GEADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824978967 608420944 /nfs/dbraw/zinc/42/09/44/608420944.db2.gz ZDAJAMSJTVYVPO-BEFAXECRSA-N 1 0 395.511 2.394 20 0 GEADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cncn2)cc1 ZINC000824599429 608427295 /nfs/dbraw/zinc/42/72/95/608427295.db2.gz OQNATXAMXYDWKN-AWEZNQCLSA-N 1 0 376.424 2.177 20 0 GEADRO COc1ccc([C@@H]([NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C(C)C)cc1 ZINC000826189192 608429598 /nfs/dbraw/zinc/42/95/98/608429598.db2.gz PJKXTSJWQWRJIE-FQEVSTJZSA-N 1 0 394.479 2.478 20 0 GEADRO Fc1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c(-c2nn[nH]n2)c1 ZINC000826375083 608429974 /nfs/dbraw/zinc/42/99/74/608429974.db2.gz YWDBIBHGCLPYIE-LJQANCHMSA-N 1 0 382.443 2.169 20 0 GEADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4ccc(-c5nn[nH]n5)nn4)CC[C@H]32)cc1 ZINC000826521382 608433963 /nfs/dbraw/zinc/43/39/63/608433963.db2.gz KDDHNZACEFTSEL-SJLPKXTDSA-N 1 0 376.468 2.148 20 0 GEADRO CCOc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000825654393 608438316 /nfs/dbraw/zinc/43/83/16/608438316.db2.gz ZVSIAPAYNCIQEJ-AWEZNQCLSA-N 1 0 380.452 2.232 20 0 GEADRO Cc1nc(CCN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000826325473 608448155 /nfs/dbraw/zinc/44/81/55/608448155.db2.gz YTTZYEGFDUXECI-UHFFFAOYSA-N 1 0 383.525 2.382 20 0 GEADRO c1ccc(-n2nnnc2CC[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823867927 608459007 /nfs/dbraw/zinc/45/90/07/608459007.db2.gz JOPQTNJRWIMSBZ-UHFFFAOYSA-N 1 0 399.462 2.174 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564809 608460892 /nfs/dbraw/zinc/46/08/92/608460892.db2.gz WAJHTCAUGOTYEL-VKJFTORMSA-N 1 0 386.500 2.229 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563156 608461903 /nfs/dbraw/zinc/46/19/03/608461903.db2.gz MOKHIILNPDAPOE-ZDUSSCGKSA-N 1 0 394.435 2.317 20 0 GEADRO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826218788 608467016 /nfs/dbraw/zinc/46/70/16/608467016.db2.gz KVMXYJRIDOLDSC-ZIAGYGMSSA-N 1 0 380.452 2.403 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)n(C(C)(C)C)n1 ZINC000826270300 608467856 /nfs/dbraw/zinc/46/78/56/608467856.db2.gz UGSOUWRIXFIXSH-CYBMUJFWSA-N 1 0 382.472 2.416 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824530734 608468380 /nfs/dbraw/zinc/46/83/80/608468380.db2.gz MZFNMQNZKZZGOC-MNOVXSKESA-N 1 0 392.423 2.126 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000825139758 608470089 /nfs/dbraw/zinc/47/00/89/608470089.db2.gz HUTRTGZDMFYCLC-MRXNPFEDSA-N 1 0 394.435 2.317 20 0 GEADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000446259846 649975623 /nfs/dbraw/zinc/97/56/23/649975623.db2.gz GSPUCZGNDUWBPB-XTQGRXLLSA-N 1 0 387.311 2.449 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1ccc(OCCO)c(OC)c1 ZINC000826183820 608470502 /nfs/dbraw/zinc/47/05/02/608470502.db2.gz BFCOYRAUYBSKGC-CYBMUJFWSA-N 1 0 399.451 2.106 20 0 GEADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)ccc1OCCO ZINC000826177291 608470732 /nfs/dbraw/zinc/47/07/32/608470732.db2.gz BTENHBCQZHUINN-GFCCVEGCSA-N 1 0 387.415 2.236 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)cc1OC ZINC000826187671 608472214 /nfs/dbraw/zinc/47/22/14/608472214.db2.gz BEFJGFJRKKDKCL-JTQLQIEISA-N 1 0 388.453 2.235 20 0 GEADRO CN(C)C(=O)C[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825839979 608473409 /nfs/dbraw/zinc/47/34/09/608473409.db2.gz MGLGDHBKHFQRLS-LJQANCHMSA-N 1 0 394.479 2.445 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000824572481 608475908 /nfs/dbraw/zinc/47/59/08/608475908.db2.gz VWUWMGVXKCFXEB-IFXJQAMLSA-N 1 0 392.463 2.378 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000824569020 608476032 /nfs/dbraw/zinc/47/60/32/608476032.db2.gz FWEYNYDFQUWUHK-KUHUBIRLSA-N 1 0 392.463 2.378 20 0 GEADRO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826216271 608485225 /nfs/dbraw/zinc/48/52/25/608485225.db2.gz QZAAUCALJNIIST-AWEZNQCLSA-N 1 0 380.452 2.185 20 0 GEADRO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826192568 608486893 /nfs/dbraw/zinc/48/68/93/608486893.db2.gz SNZVVWTYWQWZBT-AWEZNQCLSA-N 1 0 380.452 2.185 20 0 GEADRO Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826299517 608488065 /nfs/dbraw/zinc/48/80/65/608488065.db2.gz IYTCPKCFVIARCO-AWEZNQCLSA-N 1 0 393.451 2.482 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824569015 608493311 /nfs/dbraw/zinc/49/33/11/608493311.db2.gz FSYSKRCJMBFSBN-CJNGLKHVSA-N 1 0 378.436 2.439 20 0 GEADRO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)cn1 ZINC000826362574 608515190 /nfs/dbraw/zinc/51/51/90/608515190.db2.gz YWVFRYXTWIKLHP-APWZRJJASA-N 1 0 378.484 2.236 20 0 GEADRO O=C1[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCCN1CC(F)(F)F ZINC000826476581 608524953 /nfs/dbraw/zinc/52/49/53/608524953.db2.gz KQIUZPMRCIJAHW-HUUCEWRRSA-N 1 0 394.401 2.387 20 0 GEADRO O=C(C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000826412610 608526951 /nfs/dbraw/zinc/52/69/51/608526951.db2.gz VIVDYMKDYVULLQ-CZUORRHYSA-N 1 0 384.465 2.234 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCCOC1CCCCC1 ZINC000826412148 608531715 /nfs/dbraw/zinc/53/17/15/608531715.db2.gz DAFONGVZVMPRJP-UHFFFAOYSA-N 1 0 398.511 2.301 20 0 GEADRO O=C(CC[NH2+][C@@H](CCCO)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407696 608536770 /nfs/dbraw/zinc/53/67/70/608536770.db2.gz XELDEQTYYWHZGZ-SFHVURJKSA-N 1 0 380.452 2.299 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000826184010 608560918 /nfs/dbraw/zinc/56/09/18/608560918.db2.gz HYZPRBQMOYDDGN-ZDUSSCGKSA-N 1 0 376.424 2.307 20 0 GEADRO CCCC[N@H+](CCCO)[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825285317 608562484 /nfs/dbraw/zinc/56/24/84/608562484.db2.gz QFAVTIAZFGNOFO-LBPRGKRZSA-N 1 0 380.880 2.332 20 0 GEADRO CC1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)OCCO1 ZINC000824824590 608568233 /nfs/dbraw/zinc/56/82/33/608568233.db2.gz VYMYMXKHUSIRTC-UHFFFAOYSA-N 1 0 381.436 2.298 20 0 GEADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000824925230 608577973 /nfs/dbraw/zinc/57/79/73/608577973.db2.gz BVBPACIDRASLTI-ZIAGYGMSSA-N 1 0 394.483 2.405 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824530066 608579059 /nfs/dbraw/zinc/57/90/59/608579059.db2.gz JHHOOXRBHXRLRO-RTPGUIODSA-N 1 0 398.492 2.282 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccc([S@](C)=O)cc1 ZINC000824529796 608579216 /nfs/dbraw/zinc/57/92/16/608579216.db2.gz HKWKNZAUBTVEFY-ZBYRNGAHSA-N 1 0 398.492 2.282 20 0 GEADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825492138 608579659 /nfs/dbraw/zinc/57/96/59/608579659.db2.gz DNUXKSMNLQBENF-ZIAGYGMSSA-N 1 0 395.410 2.202 20 0 GEADRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1O ZINC000826194820 608584820 /nfs/dbraw/zinc/58/48/20/608584820.db2.gz XKZRPNMUVBFVOZ-UHFFFAOYSA-N 1 0 380.452 2.293 20 0 GEADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825232864 608656522 /nfs/dbraw/zinc/65/65/22/608656522.db2.gz LEDNOGODJXESBO-GOEBONIOSA-N 1 0 396.499 2.031 20 0 GEADRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824385392 608846026 /nfs/dbraw/zinc/84/60/26/608846026.db2.gz RXXHDQMEMDSZLZ-ACJLOTCBSA-N 1 0 375.436 2.338 20 0 GEADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826189047 608863619 /nfs/dbraw/zinc/86/36/19/608863619.db2.gz MACGOWTWKZVGJG-LJQANCHMSA-N 1 0 392.463 2.442 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446372083 649979030 /nfs/dbraw/zinc/97/90/30/649979030.db2.gz YHXLHOGJBXFKTM-TXEJJXNPSA-N 1 0 376.507 2.352 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824991823 609133611 /nfs/dbraw/zinc/13/36/11/609133611.db2.gz HMRNGZWBTZPVLR-KBPBESRZSA-N 1 0 397.458 2.477 20 0 GEADRO COc1ccccc1CCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826220019 609138321 /nfs/dbraw/zinc/13/83/21/609138321.db2.gz ZGYZOHSVTPZPIM-UHFFFAOYSA-N 1 0 379.468 2.025 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824554753 609142194 /nfs/dbraw/zinc/14/21/94/609142194.db2.gz RUYFEIVBCOTJIF-JSGCOSHPSA-N 1 0 395.442 2.034 20 0 GEADRO CCc1nc(CN2CCC[C@H]([NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000825745182 609155915 /nfs/dbraw/zinc/15/59/15/609155915.db2.gz JHVVZCFLQQHZID-BBRMVZONSA-N 1 0 382.472 2.127 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000446405709 649979425 /nfs/dbraw/zinc/97/94/25/649979425.db2.gz MCBAAQBQHUJMPZ-UWVGGRQHSA-N 1 0 384.221 2.167 20 0 GEADRO Cc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258375 609158324 /nfs/dbraw/zinc/15/83/24/609158324.db2.gz JHQPCDZSXBKVRJ-CQSZACIVSA-N 1 0 396.499 2.067 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(CO)c1 ZINC000824547467 609168824 /nfs/dbraw/zinc/16/88/24/609168824.db2.gz OPASWIOQLKMUEL-LIRRHRJNSA-N 1 0 392.463 2.205 20 0 GEADRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826329550 609169477 /nfs/dbraw/zinc/16/94/77/609169477.db2.gz IBAJPJLMAGVXNU-IAQYHMDHSA-N 1 0 383.481 2.478 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cncn2)cc1 ZINC000824599746 609180133 /nfs/dbraw/zinc/18/01/33/609180133.db2.gz RLRKGDOPYMUXKN-CQSZACIVSA-N 1 0 376.424 2.177 20 0 GEADRO NC(=O)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)Cc1ccccc1Cl ZINC000826389156 609186913 /nfs/dbraw/zinc/18/69/13/609186913.db2.gz RAJZGRSAWGAEGM-CQSZACIVSA-N 1 0 388.834 2.093 20 0 GEADRO NC(=O)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1Cl ZINC000826388749 609187040 /nfs/dbraw/zinc/18/70/40/609187040.db2.gz IHBMAGPOJMYHLG-LLVKDONJSA-N 1 0 376.873 2.015 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825415941 609187285 /nfs/dbraw/zinc/18/72/85/609187285.db2.gz FYNUJYVGSYRZSR-IBGZPJMESA-N 1 0 394.479 2.058 20 0 GEADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000824937805 609196204 /nfs/dbraw/zinc/19/62/04/609196204.db2.gz RMYFMYFTLYRTTG-AWEZNQCLSA-N 1 0 379.468 2.499 20 0 GEADRO Cc1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259009 609230387 /nfs/dbraw/zinc/23/03/87/609230387.db2.gz DRSVICCVYIWXIF-QGZVFWFLSA-N 1 0 396.499 2.067 20 0 GEADRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824662591 609246915 /nfs/dbraw/zinc/24/69/15/609246915.db2.gz NRCFVOAIMNZHSN-IFXJQAMLSA-N 1 0 391.479 2.490 20 0 GEADRO FC(F)Cn1cc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000826369973 609247948 /nfs/dbraw/zinc/24/79/48/609247948.db2.gz YEQIZXOPVLPHQU-UHFFFAOYSA-N 1 0 388.426 2.405 20 0 GEADRO COc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(OC)n1 ZINC000826210388 609251991 /nfs/dbraw/zinc/25/19/91/609251991.db2.gz PIOSXTMULLFQHC-UHFFFAOYSA-N 1 0 395.467 2.355 20 0 GEADRO COc1cc(C)nc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000826178323 609261921 /nfs/dbraw/zinc/26/19/21/609261921.db2.gz SNKMHURARQHQPU-UHFFFAOYSA-N 1 0 395.467 2.454 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000824469785 609285212 /nfs/dbraw/zinc/28/52/12/609285212.db2.gz BZWNNDUKLHRKQA-KSSFIOAISA-N 1 0 384.484 2.037 20 0 GEADRO Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cc1O ZINC000826286555 609298813 /nfs/dbraw/zinc/29/88/13/609298813.db2.gz HBIUDUKHPYYZPL-UHFFFAOYSA-N 1 0 394.479 2.014 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000824906940 609312289 /nfs/dbraw/zinc/31/22/89/609312289.db2.gz FPEHWCBOAZVCEL-RYUDHWBXSA-N 1 0 384.419 2.003 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000824489459 609316000 /nfs/dbraw/zinc/31/60/00/609316000.db2.gz LANVBMYBFFPFRQ-OAHLLOKOSA-N 1 0 383.500 2.437 20 0 GEADRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825471647 609328034 /nfs/dbraw/zinc/32/80/34/609328034.db2.gz ZTXWOMZGEPYPPB-CYBMUJFWSA-N 1 0 398.442 2.372 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554893 609334326 /nfs/dbraw/zinc/33/43/26/609334326.db2.gz SNUZLKRUBCIAPN-GXTWGEPZSA-N 1 0 395.442 2.034 20 0 GEADRO CC(C)[NH+](CCNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000824288381 609335034 /nfs/dbraw/zinc/33/50/34/609335034.db2.gz DZHGXLJKTZAUMB-UHFFFAOYSA-N 1 0 382.516 2.476 20 0 GEADRO CN(C)c1ncccc1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825887512 609336922 /nfs/dbraw/zinc/33/69/22/609336922.db2.gz IAERTHXMGROAFW-UHFFFAOYSA-N 1 0 389.467 2.018 20 0 GEADRO C[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579470 609337130 /nfs/dbraw/zinc/33/71/30/609337130.db2.gz ZNBORXHKXZQDFS-VFNWGFHPSA-N 1 0 396.470 2.293 20 0 GEADRO COC(=O)C1CCC([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826133923 609338127 /nfs/dbraw/zinc/33/81/27/609338127.db2.gz QKOZHYMMTPDBII-UHFFFAOYSA-N 1 0 395.467 2.089 20 0 GEADRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826330734 609338531 /nfs/dbraw/zinc/33/85/31/609338531.db2.gz GKQTWDWBULTSMS-AWEZNQCLSA-N 1 0 391.483 2.198 20 0 GEADRO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584731 609342389 /nfs/dbraw/zinc/34/23/89/609342389.db2.gz GAPMYPVDHWBZEU-ZDUSSCGKSA-N 1 0 396.426 2.472 20 0 GEADRO Cc1ncc(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000826329464 609342740 /nfs/dbraw/zinc/34/27/40/609342740.db2.gz FAFUGVSIHNIWHF-UHFFFAOYSA-N 1 0 380.481 2.364 20 0 GEADRO CCC1(O)CCC([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825176042 609344870 /nfs/dbraw/zinc/34/48/70/609344870.db2.gz CYPXWGXFKPPYCG-UHFFFAOYSA-N 1 0 381.484 2.441 20 0 GEADRO C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000824909144 609350658 /nfs/dbraw/zinc/35/06/58/609350658.db2.gz SSYYIBAUWBNAKS-XQQFMLRXSA-N 1 0 398.446 2.391 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCCC[C@@H]1O ZINC000825914520 609379931 /nfs/dbraw/zinc/37/99/31/609379931.db2.gz IKCSJXZRNVRPSI-LRDDRELGSA-N 1 0 392.891 2.332 20 0 GEADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000826509396 609386864 /nfs/dbraw/zinc/38/68/64/609386864.db2.gz UPAJASVEUKZITD-OAHLLOKOSA-N 1 0 399.886 2.484 20 0 GEADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC000826508981 609386947 /nfs/dbraw/zinc/38/69/47/609386947.db2.gz IFZOQGIPJHAQTC-INIZCTEOSA-N 1 0 399.886 2.484 20 0 GEADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC000826506979 609388358 /nfs/dbraw/zinc/38/83/58/609388358.db2.gz GPFWPRBDPQGKBP-OAHLLOKOSA-N 1 0 385.859 2.094 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476240 609415416 /nfs/dbraw/zinc/41/54/16/609415416.db2.gz DCVYSMWQLHFDIV-KRWDZBQOSA-N 1 0 384.390 2.430 20 0 GEADRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(C)C ZINC000826144139 609416908 /nfs/dbraw/zinc/41/69/08/609416908.db2.gz BZUSMVCNSXJNSR-ISWURRPUSA-N 1 0 384.484 2.011 20 0 GEADRO CCC1(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1 ZINC000825158912 609420604 /nfs/dbraw/zinc/42/06/04/609420604.db2.gz DPJBMOKCJKQKKH-UHFFFAOYSA-N 1 0 398.511 2.108 20 0 GEADRO O=C(CC[NH2+][C@H](CO)c1ccc(Cl)cc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407132 609429089 /nfs/dbraw/zinc/42/90/89/609429089.db2.gz CAVJMYHNBWTQOU-MRXNPFEDSA-N 1 0 386.843 2.172 20 0 GEADRO CC(C)[NH+]1CCC(Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)CC1 ZINC000824296695 609438282 /nfs/dbraw/zinc/43/82/82/609438282.db2.gz KISSMNAQYYBDLG-UHFFFAOYSA-N 1 0 385.516 2.113 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2ccnc2)c1 ZINC000824564817 609441354 /nfs/dbraw/zinc/44/13/54/609441354.db2.gz WEPLKJVFQVNXAL-CQSZACIVSA-N 1 0 388.435 2.342 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1Oc1ccc(NC(=O)NCC[NH+](C)C)cc1 ZINC000826176210 609493226 /nfs/dbraw/zinc/49/32/26/609493226.db2.gz GSAJQVTVHJBPDZ-UHFFFAOYSA-N 1 0 397.439 2.351 20 0 GEADRO Cc1cnc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826316913 609531477 /nfs/dbraw/zinc/53/14/77/609531477.db2.gz DVVPJYHCURGEQI-UHFFFAOYSA-N 1 0 379.468 2.083 20 0 GEADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000824297365 609535778 /nfs/dbraw/zinc/53/57/78/609535778.db2.gz URJAODFKMNHRIS-UHFFFAOYSA-N 1 0 398.920 2.013 20 0 GEADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000824094491 609539997 /nfs/dbraw/zinc/53/99/97/609539997.db2.gz XJRKUBIEKJLFCN-UHFFFAOYSA-N 1 0 398.920 2.061 20 0 GEADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000825326906 609541075 /nfs/dbraw/zinc/54/10/75/609541075.db2.gz IEUGHZNAXCMHRV-UHFFFAOYSA-N 1 0 398.920 2.015 20 0 GEADRO Cc1c(Cl)cnc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1-c1nn[nH]n1 ZINC000826238626 609556653 /nfs/dbraw/zinc/55/66/53/609556653.db2.gz LCTCVOUMDOZFMJ-GFCCVEGCSA-N 1 0 377.880 2.136 20 0 GEADRO Cc1cnc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826317278 609576830 /nfs/dbraw/zinc/57/68/30/609576830.db2.gz VUWDJYLEDJDWNI-UHFFFAOYSA-N 1 0 379.468 2.083 20 0 GEADRO Cc1cc(C(=O)OCC[C@H]2CCCC[N@H+]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826261712 609627481 /nfs/dbraw/zinc/62/74/81/609627481.db2.gz PBELDYCQCVVLCV-MRXNPFEDSA-N 1 0 395.467 2.392 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000446661116 649985928 /nfs/dbraw/zinc/98/59/28/649985928.db2.gz DYTVMVTYNYCZNI-CYBMUJFWSA-N 1 0 392.297 2.229 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000447244090 650002928 /nfs/dbraw/zinc/00/29/28/650002928.db2.gz KHMNWBKMFOXKFC-GHMZBOCLSA-N 1 0 377.304 2.124 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1Br ZINC000447242800 650002944 /nfs/dbraw/zinc/00/29/44/650002944.db2.gz HLHGDJOBEAZPDG-GHMZBOCLSA-N 1 0 377.304 2.206 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1Br ZINC000447242801 650002967 /nfs/dbraw/zinc/00/29/67/650002967.db2.gz HLHGDJOBEAZPDG-MNOVXSKESA-N 1 0 377.304 2.206 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)C[C@@H]21 ZINC000447253562 650004120 /nfs/dbraw/zinc/00/41/20/650004120.db2.gz ZHOOBXHWJLGLEM-XHVZSJERSA-N 1 0 377.279 2.336 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3ccc(I)cc32)CC[NH2+]1 ZINC000447516809 650007181 /nfs/dbraw/zinc/00/71/81/650007181.db2.gz ICWDLQBQDBDFJW-SCZZXKLOSA-N 1 0 384.221 2.038 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[NH2+]1 ZINC000447512130 650007206 /nfs/dbraw/zinc/00/72/06/650007206.db2.gz XDKOZFWNYPHVCQ-BXUZGUMPSA-N 1 0 383.290 2.217 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(Br)cn1 ZINC000447941860 650011622 /nfs/dbraw/zinc/01/16/22/650011622.db2.gz LKQZMYQRHRSIEV-GFCCVEGCSA-N 1 0 376.320 2.243 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@@H]1[NH+](C)C ZINC000447868397 650009958 /nfs/dbraw/zinc/00/99/58/650009958.db2.gz JSGGAXOYZIBXIH-AAEUAGOBSA-N 1 0 384.445 2.093 20 0 GEADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)Nc1ccc(Br)cc1Cl ZINC000447916620 650010709 /nfs/dbraw/zinc/01/07/09/650010709.db2.gz PIOLIACPYCJKJK-CHWSQXEVSA-N 1 0 377.666 2.171 20 0 GEADRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000448024363 650013043 /nfs/dbraw/zinc/01/30/43/650013043.db2.gz XZKDOBFAPHNZAH-GFCCVEGCSA-N 1 0 386.290 2.384 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ncc1Br ZINC000448319234 650015116 /nfs/dbraw/zinc/01/51/16/650015116.db2.gz GPTPRGDXJQMBFO-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ncc1Br ZINC000448319238 650015212 /nfs/dbraw/zinc/01/52/12/650015212.db2.gz GPTPRGDXJQMBFO-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO COC(=O)C1(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC1 ZINC000448524532 650016523 /nfs/dbraw/zinc/01/65/23/650016523.db2.gz IXIFRMZZRNMZBN-UHFFFAOYSA-N 1 0 396.285 2.448 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCC[N@H+](C)C(C)C ZINC000449114360 650031945 /nfs/dbraw/zinc/03/19/45/650031945.db2.gz ZGXWIUIVQYSEJI-CYBMUJFWSA-N 1 0 386.334 2.392 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000448978214 650027829 /nfs/dbraw/zinc/02/78/29/650027829.db2.gz WMRLTYKHYHKJKR-AWEZNQCLSA-N 1 0 382.346 2.300 20 0 GEADRO Cc1ccc(CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000448978005 650027887 /nfs/dbraw/zinc/02/78/87/650027887.db2.gz VNETWIOZTHMSEC-OAHLLOKOSA-N 1 0 382.346 2.300 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[N@H+](C)CC[C@@H]1C ZINC000449015247 650029709 /nfs/dbraw/zinc/02/97/09/650029709.db2.gz DBFJTBZAXRRGGR-KBPBESRZSA-N 1 0 398.345 2.488 20 0 GEADRO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000449125945 650032324 /nfs/dbraw/zinc/03/23/24/650032324.db2.gz SKOCZSQQYWZCLN-MPKXVKKWSA-N 1 0 393.290 2.372 20 0 GEADRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000449236728 650035191 /nfs/dbraw/zinc/03/51/91/650035191.db2.gz ZFJWOZOQUHEDQV-CYBMUJFWSA-N 1 0 379.263 2.348 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@H]1CCOC1 ZINC000449242886 650035663 /nfs/dbraw/zinc/03/56/63/650035663.db2.gz ZHDYZBGYPWLGAS-OLZOCXBDSA-N 1 0 385.302 2.479 20 0 GEADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(I)cc1 ZINC000449260685 650036038 /nfs/dbraw/zinc/03/60/38/650036038.db2.gz YHYMAULKADGHGW-CABCVRRESA-N 1 0 391.249 2.201 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000449305536 650038084 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ZINC000449684497 650045350 /nfs/dbraw/zinc/04/53/50/650045350.db2.gz PGASGVXQSYRVRM-GFCCVEGCSA-N 1 0 384.249 2.328 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000449409806 650040237 /nfs/dbraw/zinc/04/02/37/650040237.db2.gz WLFLAPOONBEDFB-OAGGEKHMSA-N 1 0 377.428 2.481 20 0 GEADRO C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCCO3)C[C@H](C)[N@H+]1CCO ZINC000449535577 650042444 /nfs/dbraw/zinc/04/24/44/650042444.db2.gz DKAUXLXJMGNELO-OKILXGFUSA-N 1 0 399.329 2.497 20 0 GEADRO COc1nccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)n1 ZINC000449600618 650043441 /nfs/dbraw/zinc/04/34/41/650043441.db2.gz OTJNVZGDTOVPNS-NSHDSACASA-N 1 0 384.249 2.328 20 0 GEADRO COC(=O)COc1ccc(CNc2cc(N(C)C)c(Br)c[nH+]2)cc1 ZINC000449642464 650044620 /nfs/dbraw/zinc/04/46/20/650044620.db2.gz GJPYQOKUWNURJR-UHFFFAOYSA-N 1 0 394.269 3.074 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cnc(C)nc1 ZINC000449685931 650045774 /nfs/dbraw/zinc/04/57/74/650045774.db2.gz WREZVRRSOBMZOW-ZDUSSCGKSA-N 1 0 380.286 2.497 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(Cc3ccc(F)c(Br)c3)CC2)CCN1 ZINC000449697860 650045994 /nfs/dbraw/zinc/04/59/94/650045994.db2.gz MITAXYFISAUKRE-AWEZNQCLSA-N 1 0 384.293 2.375 20 0 GEADRO COC[C@]1(CO)CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000449699418 650046431 /nfs/dbraw/zinc/04/64/31/650046431.db2.gz OYTAKTLCFDCYNB-QGZVFWFLSA-N 1 0 380.286 2.466 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449700377 650046492 /nfs/dbraw/zinc/04/64/92/650046492.db2.gz RCEWOLMSMDWMNP-SMDDNHRTSA-N 1 0 382.302 2.072 20 0 GEADRO COc1ccc(Br)cc1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000449705783 650046721 /nfs/dbraw/zinc/04/67/21/650046721.db2.gz ZGFQZZXICGNQLQ-INIZCTEOSA-N 1 0 396.329 2.244 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449711726 650047135 /nfs/dbraw/zinc/04/71/35/650047135.db2.gz PCSWWFGPAIUKDV-WWGRRREGSA-N 1 0 383.945 2.435 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)c1cc(F)ccc1I)C(F)(F)F ZINC000449714074 650047216 /nfs/dbraw/zinc/04/72/16/650047216.db2.gz BJVPZGRBXIWLEW-SECBINFHSA-N 1 0 390.118 2.440 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000449716098 650047520 /nfs/dbraw/zinc/04/75/20/650047520.db2.gz KLORGASDTNTDCC-NEPJUHHUSA-N 1 0 399.563 2.145 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449719088 650047789 /nfs/dbraw/zinc/04/77/89/650047789.db2.gz GYHZONOQVZATLC-CHWSQXEVSA-N 1 0 379.810 2.490 20 0 GEADRO [NH3+]CC[C@H](NC(=O)c1ccc(I)c(F)c1)C(F)(F)F ZINC000449720769 650047828 /nfs/dbraw/zinc/04/78/28/650047828.db2.gz NOTFWFWVEYGNQN-VIFPVBQESA-N 1 0 390.118 2.440 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000449724731 650047975 /nfs/dbraw/zinc/04/79/75/650047975.db2.gz YWBULKJZXFTGCK-MBNYWOFBSA-N 1 0 380.286 2.046 20 0 GEADRO COC(=O)C(C)(C)CCNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000449767796 650049752 /nfs/dbraw/zinc/04/97/52/650049752.db2.gz QZVCBEPJTZRKCH-UHFFFAOYSA-N 1 0 386.290 2.682 20 0 GEADRO Cn1ncc(Br)c1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000449810931 650051215 /nfs/dbraw/zinc/05/12/15/650051215.db2.gz JOGJYXHMQJPAIM-UHFFFAOYSA-N 1 0 394.273 2.325 20 0 GEADRO CC[C@H]1CN(C(=O)Cc2sccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000450029833 650058694 /nfs/dbraw/zinc/05/86/94/650058694.db2.gz WZBGSDHVYAXHHO-NEPJUHHUSA-N 1 0 375.332 2.357 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2cccc(F)c2Br)C[C@H]1C ZINC000449959607 650056811 /nfs/dbraw/zinc/05/68/11/650056811.db2.gz MREKTRONAAGBQH-OLZOCXBDSA-N 1 0 387.293 2.434 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000450053829 650059065 /nfs/dbraw/zinc/05/90/65/650059065.db2.gz TVNFWJZNLKYLKN-UHFFFAOYSA-N 1 0 379.657 2.428 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000450055251 650059152 /nfs/dbraw/zinc/05/91/52/650059152.db2.gz CBEXZJTWQSQGIS-OAHLLOKOSA-N 1 0 381.314 2.481 20 0 GEADRO COC(=O)C1(C[N@H+](CCNC(C)=O)Cc2ccc(Br)s2)CC1 ZINC000450924662 650075850 /nfs/dbraw/zinc/07/58/50/650075850.db2.gz VOIKHKOOHSOYEI-UHFFFAOYSA-N 1 0 389.315 2.402 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000450965591 650076817 /nfs/dbraw/zinc/07/68/17/650076817.db2.gz FQGWVUQCCLKGJG-GFCCVEGCSA-N 1 0 379.295 2.492 20 0 GEADRO C[C@@H]1CN(C[C@H](O)CC(F)(F)F)C(C)(C)C[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000451078099 650084028 /nfs/dbraw/zinc/08/40/28/650084028.db2.gz DFKGXVKUKAOFTP-GRYCIOLGSA-N 1 0 380.373 2.398 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000451142270 650089828 /nfs/dbraw/zinc/08/98/28/650089828.db2.gz BGZKLFDUCAQKSX-LBPRGKRZSA-N 1 0 378.416 2.445 20 0 GEADRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000451253759 650098689 /nfs/dbraw/zinc/09/86/89/650098689.db2.gz NJGXBGVCWMSPST-YOEHRIQHSA-N 1 0 399.329 2.379 20 0 GEADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451192271 650095261 /nfs/dbraw/zinc/09/52/61/650095261.db2.gz OGWFFBMRXHAJAD-GFCCVEGCSA-N 1 0 379.295 2.302 20 0 GEADRO COC[C@@]1(C(=O)OC)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000451330221 650104303 /nfs/dbraw/zinc/10/43/03/650104303.db2.gz PBPUFZWUUFVXSI-YVEFUNNKSA-N 1 0 399.285 2.288 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2sccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000451362046 650107321 /nfs/dbraw/zinc/10/73/21/650107321.db2.gz PGZROLVJEXJKOA-GXTWGEPZSA-N 1 0 377.963 2.048 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)N(C)CC[N@@H+]2CCCOCC2)c1 ZINC000451461237 650117453 /nfs/dbraw/zinc/11/74/53/650117453.db2.gz PXIJZFAJMOXBEU-QGZVFWFLSA-N 1 0 387.318 2.145 20 0 GEADRO CCOC[C@@H](C)CS(=O)(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000451470652 650118311 /nfs/dbraw/zinc/11/83/11/650118311.db2.gz GUXCYFMELSSJQW-ZBFHGGJFSA-N 1 0 389.587 2.208 20 0 GEADRO C[NH+](C)CC1(NS(=O)(=O)Cc2ccc(Br)c(F)c2)CCC1 ZINC000451491259 650120389 /nfs/dbraw/zinc/12/03/89/650120389.db2.gz MSYDUGKKESPBHE-UHFFFAOYSA-N 1 0 379.295 2.492 20 0 GEADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451573248 650126597 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20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000452051763 650169440 /nfs/dbraw/zinc/16/94/40/650169440.db2.gz UVKLLBWVNNYNCE-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO CC[N@H+](C)[C@@H](C(=O)NCCn1cc(Br)ccc1=O)c1ccccc1 ZINC000452300270 650178632 /nfs/dbraw/zinc/17/86/32/650178632.db2.gz SYDAXAQSYFAAFI-QGZVFWFLSA-N 1 0 392.297 2.420 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(Br)c1 ZINC000452343797 650180417 /nfs/dbraw/zinc/18/04/17/650180417.db2.gz BQIPDXGDGTXTFP-HUUCEWRRSA-N 1 0 399.329 2.488 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000452345892 650180446 /nfs/dbraw/zinc/18/04/46/650180446.db2.gz SMKPABUQBPDDFF-GJZGRUSLSA-N 1 0 387.571 2.042 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452355930 650181345 /nfs/dbraw/zinc/18/13/45/650181345.db2.gz ZIFCZUHFOLCUNQ-UONOGXRCSA-N 1 0 385.302 2.179 20 0 GEADRO Cc1nc(CNC(=O)c2ccnc(OCC[NH+](C)C)c2)sc1Br ZINC000452395449 650184180 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O=S(=O)(NCCC[NH2+][C@@H]1CCn2ccnc21)c1ccccc1Br ZINC000453220216 650206964 /nfs/dbraw/zinc/20/69/64/650206964.db2.gz WYBDGUVTRYVXSU-CYBMUJFWSA-N 1 0 399.314 2.049 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453648050 650211956 /nfs/dbraw/zinc/21/19/56/650211956.db2.gz NQYQOYNWVFNVAC-AWEZNQCLSA-N 1 0 397.317 2.472 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2ccc(=O)[nH]n2)cc1Br ZINC000453341626 650208197 /nfs/dbraw/zinc/20/81/97/650208197.db2.gz CDWOXUAAJIVJOC-WCQYABFASA-N 1 0 396.285 2.455 20 0 GEADRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453321552 650208250 /nfs/dbraw/zinc/20/82/50/650208250.db2.gz HMQPXVBMGJLZDG-OASPWFOLSA-N 1 0 377.304 2.315 20 0 GEADRO CC[C@H](Cn1cncn1)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC ZINC000453364070 650208426 /nfs/dbraw/zinc/20/84/26/650208426.db2.gz LPUYPRNLBCGTKG-CZUORRHYSA-N 1 0 397.317 2.269 20 0 GEADRO Cc1cc(Br)c(C[NH2+]CCNS(=O)(=O)Cc2ccon2)s1 ZINC000453569726 650209243 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CC[N@@H+]1CCCN(C(=O)C(=O)Nc2c(C)ccc(F)c2Br)CC1 ZINC000453713255 650218861 /nfs/dbraw/zinc/21/88/61/650218861.db2.gz IULXJRQVKHIFBT-UHFFFAOYSA-N 1 0 386.265 2.389 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000453721911 650219663 /nfs/dbraw/zinc/21/96/63/650219663.db2.gz RYSYZNWBDTYQAX-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000453723473 650220139 /nfs/dbraw/zinc/22/01/39/650220139.db2.gz DSADGMLJNLGOCE-UHFFFAOYSA-N 1 0 386.677 2.348 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000453729729 650220353 /nfs/dbraw/zinc/22/03/53/650220353.db2.gz TYTCNWWEULZERI-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000453740429 650221416 /nfs/dbraw/zinc/22/14/16/650221416.db2.gz CHZWSQKYHFDRLH-SWLSCSKDSA-N 1 0 395.301 2.176 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000453740431 650221568 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KRVFHOVCDFQBDU-ZDUSSCGKSA-N 1 0 387.322 2.030 20 0 GEADRO Cc1csc([C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C(F)(F)F)n1 ZINC000455694531 650312691 /nfs/dbraw/zinc/31/26/91/650312691.db2.gz FDZOWJKXDXRWOT-NEPJUHHUSA-N 1 0 380.436 2.201 20 0 GEADRO C[C@H](NC(=O)Nc1nnc2ccc(Br)cn21)C(C)(C)C[NH+](C)C ZINC000455747542 650315370 /nfs/dbraw/zinc/31/53/70/650315370.db2.gz BFEIRRKKKHSXLA-JTQLQIEISA-N 1 0 383.294 2.590 20 0 GEADRO CSC1(CNC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)CC[NH+](C)CC1 ZINC000455828421 650320318 /nfs/dbraw/zinc/32/03/18/650320318.db2.gz UBKHQZGYZKVYAD-UHFFFAOYSA-N 1 0 389.518 2.178 20 0 GEADRO O=C(NCCC[NH2+]C1CCCCC1)Nc1nc2cc(Br)ccn2n1 ZINC000455835677 650320839 /nfs/dbraw/zinc/32/08/39/650320839.db2.gz CMXRZGZNJNOBAA-UHFFFAOYSA-N 1 0 395.305 2.926 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455845778 650321115 /nfs/dbraw/zinc/32/11/15/650321115.db2.gz NWJAOVQDQIACGZ-VXGBXAGGSA-N 1 0 395.305 2.734 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455845773 650321213 /nfs/dbraw/zinc/32/12/13/650321213.db2.gz NWJAOVQDQIACGZ-NEPJUHHUSA-N 1 0 395.305 2.734 20 0 GEADRO CCS(=O)(=O)Cc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000455949659 650326507 /nfs/dbraw/zinc/32/65/07/650326507.db2.gz ALJRDULHOPPAFT-QGZVFWFLSA-N 1 0 385.555 2.180 20 0 GEADRO C[C@H](CC(N)=O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456365381 650338191 /nfs/dbraw/zinc/33/81/91/650338191.db2.gz HXGYTFRYGRQNDD-NEPJUHHUSA-N 1 0 397.317 2.039 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc1Br ZINC000456512311 650345980 /nfs/dbraw/zinc/34/59/80/650345980.db2.gz ZXWBELOXSCHKPZ-KBMXLJTQSA-N 1 0 383.330 2.222 20 0 GEADRO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456719562 650358601 /nfs/dbraw/zinc/35/86/01/650358601.db2.gz NDECKVZXJRTGTJ-ZDUSSCGKSA-N 1 0 375.282 2.196 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456733040 650361253 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CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1Br ZINC000500466922 650377815 /nfs/dbraw/zinc/37/78/15/650377815.db2.gz ZZOZJDSHFGCTJR-HZMBPMFUSA-N 1 0 379.295 2.396 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1OC(F)F ZINC000500467195 650378126 /nfs/dbraw/zinc/37/81/26/650378126.db2.gz FCCNOWTVOUTIDX-QWHCGFSZSA-N 1 0 378.441 2.104 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000500492614 650379355 /nfs/dbraw/zinc/37/93/55/650379355.db2.gz WGJLKTWEROBWTH-OAHLLOKOSA-N 1 0 389.924 2.270 20 0 GEADRO COc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1I ZINC000500494910 650379446 /nfs/dbraw/zinc/37/94/46/650379446.db2.gz RJYKSBQKVAPWGC-UHFFFAOYSA-N 1 0 388.249 2.466 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C(C)(C)C1 ZINC000500494636 650379624 /nfs/dbraw/zinc/37/96/24/650379624.db2.gz QQIXNUGTXXUTAA-ZDUSSCGKSA-N 1 0 394.313 2.355 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000500511085 650379846 /nfs/dbraw/zinc/37/98/46/650379846.db2.gz CNUGANZHVRRWTG-MRXNPFEDSA-N 1 0 385.961 2.439 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000500511084 650379892 /nfs/dbraw/zinc/37/98/92/650379892.db2.gz CNUGANZHVRRWTG-INIZCTEOSA-N 1 0 385.961 2.439 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c(Cl)c1OC ZINC000500513767 650380106 /nfs/dbraw/zinc/38/01/06/650380106.db2.gz OFKQDFYZWZYGGZ-YPMHNXCESA-N 1 0 376.906 2.165 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCC(C)(C)[NH+]3CCCCC3)cnc2c1Cl ZINC000500829476 650383195 /nfs/dbraw/zinc/38/31/95/650383195.db2.gz CLUKFZIBRSCEFO-UHFFFAOYSA-N 1 0 385.921 2.234 20 0 GEADRO O=C(NCc1cc(Br)ccc1F)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457774148 650384342 /nfs/dbraw/zinc/38/43/42/650384342.db2.gz LNITXZSTMCLDFH-AWEZNQCLSA-N 1 0 388.281 2.234 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)Cc2c(F)cccc2F)C1 ZINC000500934937 650384863 /nfs/dbraw/zinc/38/48/63/650384863.db2.gz PVZGWQLTTGDFEB-CQSZACIVSA-N 1 0 376.469 2.227 20 0 GEADRO O=C(NCc1cc(Br)cs1)NC[C@H]1CCC[N@H+]1CCCO ZINC000457798862 650385143 /nfs/dbraw/zinc/38/51/43/650385143.db2.gz AQLKFJHJQZTNRW-GFCCVEGCSA-N 1 0 376.320 2.157 20 0 GEADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCCCCCS(C)(=O)=O)[C@H](C(F)(F)F)C1 ZINC000501309707 650389472 /nfs/dbraw/zinc/38/94/72/650389472.db2.gz RAPZFTQIRRGHOL-CHWSQXEVSA-N 1 0 386.480 2.226 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000501343455 650390364 /nfs/dbraw/zinc/39/03/64/650390364.db2.gz ZHJDOONIZNXQNY-GFCCVEGCSA-N 1 0 382.302 2.120 20 0 GEADRO O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)C12CCC[NH+]1CCC2 ZINC000458094507 650394935 /nfs/dbraw/zinc/39/49/35/650394935.db2.gz DRBMJGWWUHCOMQ-AWEZNQCLSA-N 1 0 399.304 2.484 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000502112083 650401063 /nfs/dbraw/zinc/40/10/63/650401063.db2.gz WRRQRWHNCZMRAP-CVEARBPZSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)Oc1ccccc1Br ZINC000501961712 650399614 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CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000502712178 650410648 /nfs/dbraw/zinc/41/06/48/650410648.db2.gz PFFGIELVXWJCAR-OAHLLOKOSA-N 1 0 387.571 2.317 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000458976462 650416504 /nfs/dbraw/zinc/41/65/04/650416504.db2.gz OMMZFNMZMWNCHU-IHWYPQMZSA-N 1 0 382.302 2.218 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)Cc1nnc(S(C)(=O)=O)s1 ZINC000503118143 650414678 /nfs/dbraw/zinc/41/46/78/650414678.db2.gz DTUDHXGWUQVODF-UHFFFAOYSA-N 1 0 388.584 2.347 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2sc(C)cc2Br)C[C@H]1[NH+](C)C ZINC000503207985 650415687 /nfs/dbraw/zinc/41/56/87/650415687.db2.gz MRSSKLXBCLLAAS-MNOVXSKESA-N 1 0 399.401 2.485 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000459029531 650417460 /nfs/dbraw/zinc/41/74/60/650417460.db2.gz RAVGQAMREKVWFU-OAHLLOKOSA-N 1 0 398.280 2.424 20 0 GEADRO C[C@@H](CNC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)[NH+](C)C ZINC000459046810 650418190 /nfs/dbraw/zinc/41/81/90/650418190.db2.gz 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C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000509740991 650499773 /nfs/dbraw/zinc/49/97/73/650499773.db2.gz RKXNLRQYUMRDDI-VIFPVBQESA-N 1 0 381.782 2.286 20 0 GEADRO C[C@H](Oc1ccc(I)cc1)C(=O)N1CCC[N@H+](C)CC1 ZINC000466939050 650499828 /nfs/dbraw/zinc/49/98/28/650499828.db2.gz OYHVIAFFFOMVOH-LBPRGKRZSA-N 1 0 388.249 2.223 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000466954508 650499845 /nfs/dbraw/zinc/49/98/45/650499845.db2.gz JXRYUYQBXSUTEY-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467058410 650502042 /nfs/dbraw/zinc/50/20/42/650502042.db2.gz PPXULWFSAFFOMN-NHYWBVRUSA-N 1 0 380.286 2.295 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000468769187 650506773 /nfs/dbraw/zinc/50/67/73/650506773.db2.gz ARPITQASMJFJSS-OCCSQVGLSA-N 1 0 380.286 2.428 20 0 GEADRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000510103054 650506822 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/nfs/dbraw/zinc/58/08/43/650580843.db2.gz JFAZGFZWUSEGFZ-KRWDZBQOSA-N 1 0 395.301 2.067 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000478528856 650586572 /nfs/dbraw/zinc/58/65/72/650586572.db2.gz SRMRFXCGZAOIPT-NSHDSACASA-N 1 0 378.336 2.355 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000515134500 650587264 /nfs/dbraw/zinc/58/72/64/650587264.db2.gz WWABYZSJSQEGPR-LLVKDONJSA-N 1 0 380.290 2.466 20 0 GEADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000515647787 650593358 /nfs/dbraw/zinc/59/33/58/650593358.db2.gz CJKPXXAUVVHLGP-UHFFFAOYSA-N 1 0 377.894 2.103 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000515234712 650590243 /nfs/dbraw/zinc/59/02/43/650590243.db2.gz MTGQYEFSTPMEGA-ZDUSSCGKSA-N 1 0 387.274 2.181 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)CCO1 ZINC000478711961 650590469 /nfs/dbraw/zinc/59/04/69/650590469.db2.gz HKHCQRUZAYUCPI-AWEZNQCLSA-N 1 0 396.310 2.301 20 0 GEADRO C[C@H]([NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000515367567 650592728 /nfs/dbraw/zinc/59/27/28/650592728.db2.gz MVQZKTSRIVTMLC-NKFCBESUSA-N 1 0 388.892 2.212 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000515615312 650593034 /nfs/dbraw/zinc/59/30/34/650593034.db2.gz XIBPYVUJIOOUDX-UHFFFAOYSA-N 1 0 391.269 2.052 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479020402 650594225 /nfs/dbraw/zinc/59/42/25/650594225.db2.gz OQURCAHPVQJBPB-BZNIZROVSA-N 1 0 384.307 2.251 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000515839238 650594623 /nfs/dbraw/zinc/59/46/23/650594623.db2.gz DHTTYYIZOSHMFK-OAHLLOKOSA-N 1 0 398.301 2.433 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000479036488 650594764 /nfs/dbraw/zinc/59/47/64/650594764.db2.gz WGQHHIRKABVDLL-HNNXBMFYSA-N 1 0 392.297 2.423 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000479036252 650594776 /nfs/dbraw/zinc/59/47/76/650594776.db2.gz UZHBYIYAGSHFSR-WCQYABFASA-N 1 0 398.301 2.385 20 0 GEADRO C[N@@H+]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1(C)C ZINC000516580319 650599563 /nfs/dbraw/zinc/59/95/63/650599563.db2.gz GAGCRMSBSMRMAP-AWEZNQCLSA-N 1 0 375.282 2.354 20 0 GEADRO CC1CC[NH+](CCNC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000516537714 650598627 /nfs/dbraw/zinc/59/86/27/650598627.db2.gz TYTPWGPXMXZILH-UHFFFAOYSA-N 1 0 392.301 2.492 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC[S@@](=O)C1 ZINC000516730669 650601036 /nfs/dbraw/zinc/60/10/36/650601036.db2.gz LJBWSTMUCYAWTA-OGLZKCJBSA-N 1 0 383.945 2.495 20 0 GEADRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479319710 650601239 /nfs/dbraw/zinc/60/12/39/650601239.db2.gz GZWHYBLUTSDPHA-QWRGUYRKSA-N 1 0 399.340 2.325 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000479331277 650601556 /nfs/dbraw/zinc/60/15/56/650601556.db2.gz BEJOXZZRBLOLSG-NWDGAFQWSA-N 1 0 390.347 2.497 20 0 GEADRO CCCNC(=O)CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479339718 650601625 /nfs/dbraw/zinc/60/16/25/650601625.db2.gz BWCGTWVAQIJDCR-VIFPVBQESA-N 1 0 382.313 2.208 20 0 GEADRO CSCC[C@@H](CO)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479383370 650602423 /nfs/dbraw/zinc/60/24/23/650602423.db2.gz CHOBLEJUNWVPFX-BDAKNGLRSA-N 1 0 387.354 2.405 20 0 GEADRO OC[C@@H](CC1CCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000518186078 650602512 /nfs/dbraw/zinc/60/25/12/650602512.db2.gz YVEHNDOYSTZURY-HUUCEWRRSA-N 1 0 376.266 2.469 20 0 GEADRO CC[C@@]1(C(=O)NCc2ccc(Br)cc2N2CCOCC2)CCC[NH2+]1 ZINC000518380895 650604076 /nfs/dbraw/zinc/60/40/76/650604076.db2.gz FUXLQNUSUAPIES-SFHVURJKSA-N 1 0 396.329 2.434 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000518769440 650607539 /nfs/dbraw/zinc/60/75/39/650607539.db2.gz VHTRUUBVHAQXLM-VXGBXAGGSA-N 1 0 382.302 2.153 20 0 GEADRO C[C@H](NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000479761478 650609462 /nfs/dbraw/zinc/60/94/62/650609462.db2.gz BHBAOXOUCMXRLP-ZDUSSCGKSA-N 1 0 389.949 2.101 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000519702604 650610797 /nfs/dbraw/zinc/61/07/97/650610797.db2.gz DMMWEJQOPVRSRG-NXEZZACHSA-N 1 0 395.294 2.263 20 0 GEADRO CCc1nc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000479895815 650612358 /nfs/dbraw/zinc/61/23/58/650612358.db2.gz AHVRQDKYBPEEKZ-PHIMTYICSA-N 1 0 380.279 2.428 20 0 GEADRO NC(=O)c1ccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)cc1 ZINC000520219801 650614090 /nfs/dbraw/zinc/61/40/90/650614090.db2.gz LHFAJDNMJVVJIK-UHFFFAOYSA-N 1 0 390.281 2.458 20 0 GEADRO CC[C@@H](C)[C@@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(F)(F)F ZINC000480343118 650620249 /nfs/dbraw/zinc/62/02/49/650620249.db2.gz QUPRHRRHQFDJON-QMTHXVAHSA-N 1 0 384.468 2.317 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)C[C@@H]3COCCN3)C2=O)ccc1Br ZINC000521423707 650617407 /nfs/dbraw/zinc/61/74/07/650617407.db2.gz IPZTWPKFRXVEMI-VBQJREDUSA-N 1 0 396.329 2.219 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000521440375 650617450 /nfs/dbraw/zinc/61/74/50/650617450.db2.gz ZVSZYIZDQGQNGC-MRXNPFEDSA-N 1 0 381.314 2.442 20 0 GEADRO CC(C)C[C@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[NH+](C)C ZINC000522265522 650624359 /nfs/dbraw/zinc/62/43/59/650624359.db2.gz RNAJOHWXIROOHJ-CYBMUJFWSA-N 1 0 375.922 2.418 20 0 GEADRO CC[N@H+](CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000522422719 650625127 /nfs/dbraw/zinc/62/51/27/650625127.db2.gz BJBOHFQYWKHLGT-INIZCTEOSA-N 1 0 394.313 2.403 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000480647887 650626711 /nfs/dbraw/zinc/62/67/11/650626711.db2.gz PEFXYEHAJKHKRH-RISCZKNCSA-N 1 0 391.331 2.418 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cncc(Br)c1 ZINC000523750368 650638188 /nfs/dbraw/zinc/63/81/88/650638188.db2.gz KXTQVEBZKJIYTB-UHFFFAOYSA-N 1 0 386.290 2.190 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000523191347 650632672 /nfs/dbraw/zinc/63/26/72/650632672.db2.gz ALFFSAWNKWRLRP-ZDUSSCGKSA-N 1 0 399.333 2.208 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Br)c1 ZINC000480808840 650633084 /nfs/dbraw/zinc/63/30/84/650633084.db2.gz DFYDTMILVLDBBN-WDEREUQCSA-N 1 0 389.315 2.361 20 0 GEADRO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C1CC1 ZINC000523612145 650636433 /nfs/dbraw/zinc/63/64/33/650636433.db2.gz AVDSSZPGGWPNPL-CYBMUJFWSA-N 1 0 394.313 2.403 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000524237724 650639646 /nfs/dbraw/zinc/63/96/46/650639646.db2.gz RLQWOWNBHLIJJO-UHFFFAOYSA-N 1 0 396.329 2.227 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480991767 650639683 /nfs/dbraw/zinc/63/96/83/650639683.db2.gz NGWUMFVZDBKSNN-UHFFFAOYSA-N 1 0 383.436 2.079 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCc2ccccc2Br)C1 ZINC000524272557 650639967 /nfs/dbraw/zinc/63/99/67/650639967.db2.gz CJIDAXBHYIMCSQ-OAHLLOKOSA-N 1 0 396.329 2.085 20 0 GEADRO C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)N1CCc2sccc2C1 ZINC000481290014 650643864 /nfs/dbraw/zinc/64/38/64/650643864.db2.gz JBHRXOIRRNZFNT-RDTXWAMCSA-N 1 0 382.599 2.231 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c(Br)c1 ZINC000481339307 650644531 /nfs/dbraw/zinc/64/45/31/650644531.db2.gz JZSFTIIWPVLFCV-AWEZNQCLSA-N 1 0 393.372 2.473 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000524649034 650644547 /nfs/dbraw/zinc/64/45/47/650644547.db2.gz QZJUUNHKHBMAIJ-UHFFFAOYSA-N 1 0 391.331 2.180 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000524774751 650646246 /nfs/dbraw/zinc/64/62/46/650646246.db2.gz AKZIFBQKJMAYDU-GFCCVEGCSA-N 1 0 378.523 2.457 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000524776353 650646322 /nfs/dbraw/zinc/64/63/22/650646322.db2.gz VFQKLJFLVUYVHP-KBPBESRZSA-N 1 0 394.313 2.260 20 0 GEADRO C[C@H](OC[C@H](O)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000524893430 650648122 /nfs/dbraw/zinc/64/81/22/650648122.db2.gz RXJNJXYUZLYAOA-JJRVBVJISA-N 1 0 375.918 2.145 20 0 GEADRO O[C@@H](C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)CN1CCOCC1 ZINC000481748655 650652263 /nfs/dbraw/zinc/65/22/63/650652263.db2.gz UZXJZHMTFAPZFX-IRXDYDNUSA-N 1 0 387.293 2.322 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000525442779 650655034 /nfs/dbraw/zinc/65/50/34/650655034.db2.gz CATYZBIEJUUIPJ-IRXDYDNUSA-N 1 0 375.579 2.352 20 0 GEADRO COc1c(Br)cccc1CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000481997090 650658059 /nfs/dbraw/zinc/65/80/59/650658059.db2.gz GNEMWMNSERFREB-UHFFFAOYSA-N 1 0 384.318 2.054 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000525835636 650658262 /nfs/dbraw/zinc/65/82/62/650658262.db2.gz BMBKSEUQYCFNKF-CVEARBPZSA-N 1 0 376.494 2.306 20 0 GEADRO O=C1NCCN1[C@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000525833733 650658292 /nfs/dbraw/zinc/65/82/92/650658292.db2.gz UXCJRKCOKVZVQA-AWEZNQCLSA-N 1 0 386.265 2.457 20 0 GEADRO Cc1nccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1Br ZINC000525845890 650658993 /nfs/dbraw/zinc/65/89/93/650658993.db2.gz WKRHTGCQCHLFFJ-HUUCEWRRSA-N 1 0 397.317 2.074 20 0 GEADRO CN(CC(=O)Nc1cc(C[NH+](C)C)ccn1)C(=O)c1ccc(Br)o1 ZINC000482322972 650664380 /nfs/dbraw/zinc/66/43/80/650664380.db2.gz RWSFJMYVWYXSST-UHFFFAOYSA-N 1 0 395.257 2.209 20 0 GEADRO COc1nc(N2CC[NH+](CC3(OC)CCCC3)CC2)ncc1Br ZINC000483293266 650676233 /nfs/dbraw/zinc/67/62/33/650676233.db2.gz UNPOFUDNZKQHQB-UHFFFAOYSA-N 1 0 385.306 2.329 20 0 GEADRO O=C(NCc1n[nH]cc1Br)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527454214 650675786 /nfs/dbraw/zinc/67/57/86/650675786.db2.gz CSMIYURXLKYEDL-AWEZNQCLSA-N 1 0 392.301 2.494 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NCC2CC[NH+](C)CC2)c1Br ZINC000483935611 650683361 /nfs/dbraw/zinc/68/33/61/650683361.db2.gz VQMBOIZKVNCQSL-UHFFFAOYSA-N 1 0 386.265 2.293 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527595843 650680231 /nfs/dbraw/zinc/68/02/31/650680231.db2.gz XEBNOMORNANGNV-LBPRGKRZSA-N 1 0 386.265 2.034 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1Br ZINC000483959205 650683579 /nfs/dbraw/zinc/68/35/79/650683579.db2.gz LJXNIONUXYRCGC-ZYHUDNBSSA-N 1 0 386.265 2.434 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000527627333 650681372 /nfs/dbraw/zinc/68/13/72/650681372.db2.gz DPUIIXWBFYPIKU-UHFFFAOYSA-N 1 0 384.293 2.110 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1ccc(F)cc1Br ZINC000527753142 650682046 /nfs/dbraw/zinc/68/20/46/650682046.db2.gz KGRLSIYJBRJMOA-KRWDZBQOSA-N 1 0 387.293 2.294 20 0 GEADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cc(Br)cs1 ZINC000527754703 650682446 /nfs/dbraw/zinc/68/24/46/650682446.db2.gz QQPYKVYTHXRZQV-OAHLLOKOSA-N 1 0 375.332 2.216 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000484252736 650686506 /nfs/dbraw/zinc/68/65/06/650686506.db2.gz FOQYDYLXWSKGKR-LLVKDONJSA-N 1 0 398.276 2.030 20 0 GEADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000484647302 650688510 /nfs/dbraw/zinc/68/85/10/650688510.db2.gz YJGLSMHTEGFCSY-QWHCGFSZSA-N 1 0 393.228 2.449 20 0 GEADRO C[C@]1(Br)C[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000528341798 650689277 /nfs/dbraw/zinc/68/92/77/650689277.db2.gz XRBWEKWGVVXGLA-JOQOYGCGSA-N 1 0 394.313 2.496 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)COc1cccc(Cl)c1Cl ZINC000484756562 650689972 /nfs/dbraw/zinc/68/99/72/650689972.db2.gz NOTPWINQVPNEPT-RRCSTGOVSA-N 1 0 389.323 2.480 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)cc2OC)C[C@@H]1C ZINC000484753471 650689978 /nfs/dbraw/zinc/68/99/78/650689978.db2.gz OUYFPJSCRHVIMF-RYUDHWBXSA-N 1 0 390.527 2.037 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000527998636 650684133 /nfs/dbraw/zinc/68/41/33/650684133.db2.gz BMUCDZZKVFWGET-LRDDRELGSA-N 1 0 390.281 2.416 20 0 GEADRO CCOC[C@@H](O)C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000484153386 650685436 /nfs/dbraw/zinc/68/54/36/650685436.db2.gz ARCZCKYCQBVOTA-ABAIWWIYSA-N 1 0 383.290 2.386 20 0 GEADRO O=C(Nc1cc(Br)ccn1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528685847 650697858 /nfs/dbraw/zinc/69/78/58/650697858.db2.gz DOVSTHMYOMZXMS-CQSZACIVSA-N 1 0 383.290 2.467 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000484973744 650691476 /nfs/dbraw/zinc/69/14/76/650691476.db2.gz ZQQLVDXHUVWQFV-RCBQFDQVSA-N 1 0 394.313 2.310 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1cc(Cl)ccc1I ZINC000528695113 650698083 /nfs/dbraw/zinc/69/80/83/650698083.db2.gz PVMJDOJBAWRQBS-SECBINFHSA-N 1 0 395.628 2.055 20 0 GEADRO C[NH+](C)CCN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC1 ZINC000485268966 650694753 /nfs/dbraw/zinc/69/47/53/650694753.db2.gz DAHXGWTUDDRPJV-AWEZNQCLSA-N 1 0 394.313 2.355 20 0 GEADRO OC[C@@]1([NH2+]C[C@@H](O)c2ccccc2Br)COc2ccccc2C1 ZINC000528652952 650697222 /nfs/dbraw/zinc/69/72/22/650697222.db2.gz RHGROVSDURRJIP-SJLPKXTDSA-N 1 0 378.266 2.438 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(I)cc1Cl ZINC000528671405 650697381 /nfs/dbraw/zinc/69/73/81/650697381.db2.gz UWYDZEHBKWSYOS-VIFPVBQESA-N 1 0 395.628 2.055 20 0 GEADRO [NH3+]CC1(NC(=O)Nc2ccc(F)cc2I)CCOCC1 ZINC000528681198 650697665 /nfs/dbraw/zinc/69/76/65/650697665.db2.gz ALXDWHCCIAGTGH-UHFFFAOYSA-N 1 0 393.200 2.060 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000485685944 650699005 /nfs/dbraw/zinc/69/90/05/650699005.db2.gz HUESBQJRJVZXEE-CZUORRHYSA-N 1 0 388.258 2.088 20 0 GEADRO O=C(c1ccsc1C(F)(F)F)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000528954452 650699984 /nfs/dbraw/zinc/69/99/84/650699984.db2.gz YFIATFRZUQMLTC-UHFFFAOYSA-N 1 0 378.416 2.066 20 0 GEADRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCc2c(Br)cccc2C1 ZINC000485775402 650700301 /nfs/dbraw/zinc/70/03/01/650700301.db2.gz LWKPLEMRVHJZBA-LLVKDONJSA-N 1 0 375.270 2.448 20 0 GEADRO COc1ccc(Br)c(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000485804946 650700808 /nfs/dbraw/zinc/70/08/08/650700808.db2.gz KKNYYPPSFUOYLE-JTQLQIEISA-N 1 0 379.258 2.188 20 0 GEADRO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000485826343 650701103 /nfs/dbraw/zinc/70/11/03/650701103.db2.gz HYFICUYXZAJWEF-NOZJJQNGSA-N 1 0 381.420 2.067 20 0 GEADRO CC[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1cc(F)cc(Br)c1 ZINC000485823886 650701119 /nfs/dbraw/zinc/70/11/19/650701119.db2.gz QGBSZFMOTVUICK-AWEZNQCLSA-N 1 0 384.249 2.227 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)NCCC(=O)OC)c1cc(F)cc(Br)c1 ZINC000485835293 650701192 /nfs/dbraw/zinc/70/11/92/650701192.db2.gz YPQLDKYQUDBSRC-CYBMUJFWSA-N 1 0 375.238 2.308 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000485875457 650701566 /nfs/dbraw/zinc/70/15/66/650701566.db2.gz ZDVZQFNMXYACMA-CHWSQXEVSA-N 1 0 384.307 2.476 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1cc(F)c(Br)cc1F ZINC000529339996 650702776 /nfs/dbraw/zinc/70/27/76/650702776.db2.gz GVQZPJCEGZFEFB-BDAKNGLRSA-N 1 0 378.217 2.076 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529347708 650703181 /nfs/dbraw/zinc/70/31/81/650703181.db2.gz BBLUBZVWTIYCGT-LSDHHAIUSA-N 1 0 382.302 2.409 20 0 GEADRO CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000529355422 650703761 /nfs/dbraw/zinc/70/37/61/650703761.db2.gz LRXIWDZSHUWXKP-HIFRSBDPSA-N 1 0 383.901 2.094 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000486000688 650704849 /nfs/dbraw/zinc/70/48/49/650704849.db2.gz HEHFAFLAFMGAII-FZMZJTMJSA-N 1 0 378.274 2.225 20 0 GEADRO COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487317655 650732701 /nfs/dbraw/zinc/73/27/01/650732701.db2.gz HGOXKRYIBYVXLP-DOMZBBRYSA-N 1 0 383.286 2.148 20 0 GEADRO COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487317656 650732779 /nfs/dbraw/zinc/73/27/79/650732779.db2.gz HGOXKRYIBYVXLP-IUODEOHRSA-N 1 0 383.286 2.148 20 0 GEADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531066707 650734386 /nfs/dbraw/zinc/73/43/86/650734386.db2.gz WMNGEPCTTRWUQM-MAZHCROVSA-N 1 0 389.949 2.023 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000487511008 650734866 /nfs/dbraw/zinc/73/48/66/650734866.db2.gz ZAJVKLGEQWIJCR-BLLLJJGKSA-N 1 0 377.286 2.449 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000487572831 650735915 /nfs/dbraw/zinc/73/59/15/650735915.db2.gz MGTWVYWLLGARCD-ZWNOBZJWSA-N 1 0 379.258 2.313 20 0 GEADRO C[C@@H](CNC(=O)NCC(=O)Nc1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000487894005 650739057 /nfs/dbraw/zinc/73/90/57/650739057.db2.gz HMCQEAYPWHYLJX-NSHDSACASA-N 1 0 383.290 2.170 20 0 GEADRO CC[NH+](CC)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000007308874 642337524 /nfs/dbraw/zinc/33/75/24/642337524.db2.gz ZEXAKNNWWLEYAL-UHFFFAOYSA-N 1 0 375.922 2.052 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000532206332 650746279 /nfs/dbraw/zinc/74/62/79/650746279.db2.gz HNAJNXSNMHWRII-AWEZNQCLSA-N 1 0 382.507 2.183 20 0 GEADRO C[C@H](CNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)[N@H+](C)C1CC1 ZINC000488824705 650751069 /nfs/dbraw/zinc/75/10/69/650751069.db2.gz XXZBPMLFHIQPJF-BMIGLBTASA-N 1 0 388.281 2.404 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000532873095 650754343 /nfs/dbraw/zinc/75/43/43/650754343.db2.gz MSBNAMDGJCKRLL-CZUORRHYSA-N 1 0 385.917 2.268 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000532873096 650754362 /nfs/dbraw/zinc/75/43/62/650754362.db2.gz MSBNAMDGJCKRLL-XJKSGUPXSA-N 1 0 385.917 2.268 20 0 GEADRO CNC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000028920221 642454674 /nfs/dbraw/zinc/45/46/74/642454674.db2.gz OLTWHGKZBWMISA-INIZCTEOSA-N 1 0 393.281 2.338 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000035194487 642505957 /nfs/dbraw/zinc/50/59/57/642505957.db2.gz JTBDIAFJIWEWQO-MRXNPFEDSA-N 1 0 381.929 2.457 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1ccc(Br)cc1Br ZINC000037574472 642514469 /nfs/dbraw/zinc/51/44/69/642514469.db2.gz FQCNMGZCJSPZSK-UHFFFAOYSA-N 1 0 386.109 2.052 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050362 642516304 /nfs/dbraw/zinc/51/63/04/642516304.db2.gz HRKNTCKJIYWYON-VXGBXAGGSA-N 1 0 377.304 2.396 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000038083409 642516983 /nfs/dbraw/zinc/51/69/83/642516983.db2.gz OXTOCGLQIYCPFB-MNOVXSKESA-N 1 0 379.263 2.377 20 0 GEADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066453 642525589 /nfs/dbraw/zinc/52/55/89/642525589.db2.gz IPHPMQMNKQKSLH-UHFFFAOYSA-N 1 0 382.711 2.212 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1 ZINC000489906092 650765295 /nfs/dbraw/zinc/76/52/95/650765295.db2.gz JLBDCZHFDUCNSW-BBRMVZONSA-N 1 0 387.571 2.309 20 0 GEADRO Brc1cc2cccnc2c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000489955781 650765600 /nfs/dbraw/zinc/76/56/00/650765600.db2.gz LPTUJQUNZLNTLX-QGZVFWFLSA-N 1 0 375.314 2.477 20 0 GEADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489991604 650765943 /nfs/dbraw/zinc/76/59/43/650765943.db2.gz WBLGGIKTGRBACZ-AWEZNQCLSA-N 1 0 383.901 2.063 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000041890474 642534995 /nfs/dbraw/zinc/53/49/95/642534995.db2.gz BUBAVFLCBGEFRE-GFCCVEGCSA-N 1 0 380.286 2.297 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000041915810 642535796 /nfs/dbraw/zinc/53/57/96/642535796.db2.gz KJTOMMBEGSPJCC-CQSZACIVSA-N 1 0 387.571 2.383 20 0 GEADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490003474 650766414 /nfs/dbraw/zinc/76/64/14/650766414.db2.gz IXCIAIBLQZGFMR-CQSZACIVSA-N 1 0 377.279 2.352 20 0 GEADRO O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490013527 650766584 /nfs/dbraw/zinc/76/65/84/650766584.db2.gz NERFGHAADAAAHC-HNNXBMFYSA-N 1 0 378.416 2.392 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccc(Br)cn2)CC1)N1CCCCC1 ZINC000042146455 642542968 /nfs/dbraw/zinc/54/29/68/642542968.db2.gz YERKPKCRKFXDJB-UHFFFAOYSA-N 1 0 381.318 2.369 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490063107 650767604 /nfs/dbraw/zinc/76/76/04/650767604.db2.gz WUQGXOCJGVOUGE-CQSZACIVSA-N 1 0 395.269 2.492 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000490032309 650766770 /nfs/dbraw/zinc/76/67/70/650766770.db2.gz KPRBVFPIBRUZOA-LLVKDONJSA-N 1 0 379.320 2.075 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cn1 ZINC000490040931 650766845 /nfs/dbraw/zinc/76/68/45/650766845.db2.gz XPGYECVPBQRQFM-LBPRGKRZSA-N 1 0 386.905 2.010 20 0 GEADRO O=C(NCc1n[nH]cc1Br)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000533306858 650759632 /nfs/dbraw/zinc/75/96/32/650759632.db2.gz NNEXBBOEGVPXHJ-NHYWBVRUSA-N 1 0 382.306 2.331 20 0 GEADRO CC(C)[N@@H+]1CCCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000533414861 650760984 /nfs/dbraw/zinc/76/09/84/650760984.db2.gz TYFQEPZGXNUNNX-UHFFFAOYSA-N 1 0 387.933 2.098 20 0 GEADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000533518631 650761543 /nfs/dbraw/zinc/76/15/43/650761543.db2.gz ZFWGECLKIONXCH-OAHLLOKOSA-N 1 0 380.432 2.488 20 0 GEADRO CCc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000533551472 650762125 /nfs/dbraw/zinc/76/21/25/650762125.db2.gz VSSALORDJDDFRV-GOSISDBHSA-N 1 0 380.535 2.226 20 0 GEADRO CS(=O)(=O)NCCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000044862244 642583113 /nfs/dbraw/zinc/58/31/13/642583113.db2.gz PXHCXQDJCCJZSY-UHFFFAOYSA-N 1 0 387.246 2.079 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000045137157 642589536 /nfs/dbraw/zinc/58/95/36/642589536.db2.gz UINSDWSLZAQJGP-LBPRGKRZSA-N 1 0 382.302 2.258 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045141675 642589674 /nfs/dbraw/zinc/58/96/74/642589674.db2.gz BCAFYTQNEYIOKX-ZIAGYGMSSA-N 1 0 394.313 2.403 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)C[C@@H]1[NH+](C)C ZINC000534171037 650770097 /nfs/dbraw/zinc/77/00/97/650770097.db2.gz JETUCVNSXHKKKN-WKPIXPDZSA-N 1 0 390.958 2.330 20 0 GEADRO Cc1cnc(N)c(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000534305626 650771602 /nfs/dbraw/zinc/77/16/02/650771602.db2.gz SNZDRFPVXAHOIJ-UHFFFAOYSA-N 1 0 380.539 2.224 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)cnc2c1Cl ZINC000534306331 650771915 /nfs/dbraw/zinc/77/19/15/650771915.db2.gz GUNQZLGWLZJNIY-TXEJJXNPSA-N 1 0 385.921 2.232 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C[NH+]1CCCC1 ZINC000047916715 642642448 /nfs/dbraw/zinc/64/24/48/642642448.db2.gz KDEBFKDRBNGGEO-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cn1cc(Br)ccc1=O ZINC000048965047 642664827 /nfs/dbraw/zinc/66/48/27/642664827.db2.gz NQLZROFPFMDVBC-UHFFFAOYSA-N 1 0 386.334 2.437 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(O)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000490103186 650768605 /nfs/dbraw/zinc/76/86/05/650768605.db2.gz FWIVCDKRHRFBBR-ZDUSSCGKSA-N 1 0 388.917 2.017 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000534529515 650777265 /nfs/dbraw/zinc/77/72/65/650777265.db2.gz IRHYSAXXDYFQOJ-UHFFFAOYSA-N 1 0 379.258 2.186 20 0 GEADRO O=c1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)nc2ccc(Br)cn12 ZINC000052753159 642726465 /nfs/dbraw/zinc/72/64/65/642726465.db2.gz LTRZXASDRNUNNG-GFCCVEGCSA-N 1 0 378.270 2.458 20 0 GEADRO C[NH+](C)CCCNC(=S)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000054301609 642750712 /nfs/dbraw/zinc/75/07/12/642750712.db2.gz ZHWAERWVDYMSDJ-UHFFFAOYSA-N 1 0 384.977 2.163 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000490922366 650781294 /nfs/dbraw/zinc/78/12/94/650781294.db2.gz AUFPLWIWFIJPAC-UHFFFAOYSA-N 1 0 375.922 2.145 20 0 GEADRO CCC(=O)N[C@@H](CCSC)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000054776185 642759347 /nfs/dbraw/zinc/75/93/47/642759347.db2.gz LUNVTOMXGZNFPO-HNNXBMFYSA-N 1 0 387.615 2.112 20 0 GEADRO O=C(/C=C/c1ccc(I)o1)N1CC[NH+](CC2CC2)CC1 ZINC000055668770 642779217 /nfs/dbraw/zinc/77/92/17/642779217.db2.gz JLTBCVAJEHTHSL-GQCTYLIASA-N 1 0 386.233 2.452 20 0 GEADRO C[C@@H](CNC(=O)CN(C)C(=O)c1ccc(Br)o1)[NH+]1CCCCC1 ZINC000055936123 642785412 /nfs/dbraw/zinc/78/54/12/642785412.db2.gz DZSAHWTUKDIRKW-LBPRGKRZSA-N 1 0 386.290 2.105 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000491831136 650788889 /nfs/dbraw/zinc/78/88/89/650788889.db2.gz VUHGEOGFCFWEOS-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCCn2cc(Br)cn2)C[C@@H](C)C1 ZINC000491152086 650783792 /nfs/dbraw/zinc/78/37/92/650783792.db2.gz YLZYAZPNYLTMBK-OFQRWUPVSA-N 1 0 398.349 2.407 20 0 GEADRO C[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000057720142 642815424 /nfs/dbraw/zinc/81/54/24/642815424.db2.gz UIIWWVBFLLJZSZ-LBPRGKRZSA-N 1 0 382.302 2.168 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[N@H+](C)C1CC1 ZINC000057710815 642815429 /nfs/dbraw/zinc/81/54/29/642815429.db2.gz HQOIQCCYMPLCJL-CHWSQXEVSA-N 1 0 394.313 2.401 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000491247762 650784646 /nfs/dbraw/zinc/78/46/46/650784646.db2.gz GDPHUDKVSNVVIS-OLZOCXBDSA-N 1 0 396.285 2.139 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000060079785 642833435 /nfs/dbraw/zinc/83/34/35/642833435.db2.gz NGKJPKLQUDFYFT-GFCCVEGCSA-N 1 0 377.279 2.447 20 0 GEADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Br)o1)[NH+]1CCC(C)CC1 ZINC000060162056 642833766 /nfs/dbraw/zinc/83/37/66/642833766.db2.gz ZWYMCPILUMAXEJ-GFCCVEGCSA-N 1 0 386.290 2.009 20 0 GEADRO C[C@H]([NH3+])CCNS(=O)(=O)c1cc(Br)ccc1Br ZINC000063170872 642853388 /nfs/dbraw/zinc/85/33/88/642853388.db2.gz ODCQOICWPQCNMW-ZETCQYMHSA-N 1 0 386.109 2.227 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063194164 642854499 /nfs/dbraw/zinc/85/44/99/642854499.db2.gz OPFNRHUXUWKJCL-ZYHUDNBSSA-N 1 0 377.304 2.348 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1cccc(I)c1 ZINC000063195409 642854577 /nfs/dbraw/zinc/85/45/77/642854577.db2.gz KZUMLJVHFOZYHR-FZMZJTMJSA-N 1 0 387.265 2.431 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000063738800 642862482 /nfs/dbraw/zinc/86/24/82/642862482.db2.gz JVYJBBUFZJXUFK-UHFFFAOYSA-N 1 0 376.448 2.451 20 0 GEADRO Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(Br)c1 ZINC000535855999 650792024 /nfs/dbraw/zinc/79/20/24/650792024.db2.gz PDWUATWLZNTLRE-MRXNPFEDSA-N 1 0 394.313 2.136 20 0 GEADRO CSC[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000493231766 650793423 /nfs/dbraw/zinc/79/34/23/650793423.db2.gz RBAZMFYZTCYYRX-ZDUSSCGKSA-N 1 0 385.555 2.139 20 0 GEADRO CC1CCN(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000065972490 642893325 /nfs/dbraw/zinc/89/33/25/642893325.db2.gz AGJXVSUJGIDXCR-UHFFFAOYSA-N 1 0 375.485 2.305 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000493519603 650794607 /nfs/dbraw/zinc/79/46/07/650794607.db2.gz DIUUKAPCLQESKE-WMZOPIPTSA-N 1 0 399.329 2.427 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000066223757 642901722 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C[N@H+](CCNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)C1CC1 ZINC000066924114 642951627 /nfs/dbraw/zinc/95/16/27/642951627.db2.gz IYJAGABWEIUEAM-UHFFFAOYSA-N 1 0 378.523 2.139 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2ccc(Br)s2)CC1 ZINC000067624903 642975407 /nfs/dbraw/zinc/97/54/07/642975407.db2.gz KQQCXCWSJIDETO-LBPRGKRZSA-N 1 0 390.347 2.403 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCc2ccc(Br)s2)CC1 ZINC000067624900 642975521 /nfs/dbraw/zinc/97/55/21/642975521.db2.gz KQQCXCWSJIDETO-GFCCVEGCSA-N 1 0 390.347 2.403 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000068340799 642990338 /nfs/dbraw/zinc/99/03/38/642990338.db2.gz HAEOQBGYDYTWMH-KGLIPLIRSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000068469108 643000297 /nfs/dbraw/zinc/00/02/97/643000297.db2.gz GZHACORVBJUSST-JTQLQIEISA-N 1 0 376.320 2.039 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000068935722 643017331 /nfs/dbraw/zinc/01/73/31/643017331.db2.gz ZRYVGWJTVVNZGS-CYBMUJFWSA-N 1 0 387.933 2.050 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc(Br)c1OC ZINC000069141081 643021033 /nfs/dbraw/zinc/02/10/33/643021033.db2.gz YISDDLJRAFMXER-LLVKDONJSA-N 1 0 378.288 2.133 20 0 GEADRO O=C(NCCSCC(F)(F)F)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000536728598 650806714 /nfs/dbraw/zinc/80/67/14/650806714.db2.gz YQKQHTIAELCSPM-KBPBESRZSA-N 1 0 383.480 2.349 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(F)cc1Br ZINC000069529713 643034576 /nfs/dbraw/zinc/03/45/76/643034576.db2.gz MCDQMIFQRJRZQE-CYBMUJFWSA-N 1 0 389.265 2.194 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(Br)cc1F ZINC000069529752 643034683 /nfs/dbraw/zinc/03/46/83/643034683.db2.gz MRCAEYUYMBYMBP-CYBMUJFWSA-N 1 0 389.265 2.194 20 0 GEADRO CNS(=O)(=O)c1ccc(NCC2([NH+]3CCSCC3)CCCCC2)nc1 ZINC000069798448 643040722 /nfs/dbraw/zinc/04/07/22/643040722.db2.gz GOVRGQRDCUKMDA-UHFFFAOYSA-N 1 0 384.571 2.153 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000494472139 650808719 /nfs/dbraw/zinc/80/87/19/650808719.db2.gz IEULTXRPUUUESP-FUHWJXTLSA-N 1 0 397.313 2.443 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000536894479 650808847 /nfs/dbraw/zinc/80/88/47/650808847.db2.gz WJJPYRLDEGQIII-GOSISDBHSA-N 1 0 380.535 2.280 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1cccc(I)c1 ZINC000070149833 643049274 /nfs/dbraw/zinc/04/92/74/643049274.db2.gz SDWKKUDYRUDELC-CQSZACIVSA-N 1 0 387.265 2.433 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C1 ZINC000070450691 643050919 /nfs/dbraw/zinc/05/09/19/643050919.db2.gz XKOXNYOHVXWJAQ-SWLSCSKDSA-N 1 0 379.448 2.440 20 0 GEADRO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1cc(Br)ccc1Br ZINC000071397278 643060343 /nfs/dbraw/zinc/06/03/43/643060343.db2.gz CJRKKICKHWNUSU-SECBINFHSA-N 1 0 398.120 2.242 20 0 GEADRO CCCN(CC(=O)Nc1ccccc1I)[C@@H]1CC[NH2+]C1 ZINC000071331449 643060364 /nfs/dbraw/zinc/06/03/64/643060364.db2.gz QATZKAAQNFDGTH-GFCCVEGCSA-N 1 0 387.265 2.304 20 0 GEADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000071312868 643060380 /nfs/dbraw/zinc/06/03/80/643060380.db2.gz QUKNRYXKGSHKKY-JTQLQIEISA-N 1 0 397.722 2.484 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000074616747 643063095 /nfs/dbraw/zinc/06/30/95/643063095.db2.gz GHSWBJDCLYRFNK-BLLLJJGKSA-N 1 0 375.872 2.169 20 0 GEADRO CN1C(=O)C[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)[C@@H]1c1ccc(Cl)cc1 ZINC000091769937 643066876 /nfs/dbraw/zinc/06/68/76/643066876.db2.gz IIBGZGWBCOGYGJ-RKVPGOIHSA-N 1 0 381.929 2.165 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(CCOc2ccccc2Br)CC1 ZINC000093789545 643080060 /nfs/dbraw/zinc/08/00/60/643080060.db2.gz PFNLIGCYIYOZAB-UHFFFAOYSA-N 1 0 396.329 2.068 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000096999498 643093309 /nfs/dbraw/zinc/09/33/09/643093309.db2.gz DKUYRWFAULPMLJ-ZDUSSCGKSA-N 1 0 377.913 2.031 20 0 GEADRO 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Cc1ccc(Cc2cnc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)s2)cc1C ZINC000497721568 650839341 /nfs/dbraw/zinc/83/93/41/650839341.db2.gz UNPLHTIUPBESQY-OAHLLOKOSA-N 1 0 381.523 2.051 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000115442929 643439033 /nfs/dbraw/zinc/43/90/33/643439033.db2.gz QJPAPSBEOHOYNA-ZDUSSCGKSA-N 1 0 379.555 2.436 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)CCn1cc(Br)ccc1=O)C(C)(C)C ZINC000116231672 643455007 /nfs/dbraw/zinc/45/50/07/643455007.db2.gz OBUXBNFJCPROQP-AWEZNQCLSA-N 1 0 386.334 2.484 20 0 GEADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116372352 643461809 /nfs/dbraw/zinc/46/18/09/643461809.db2.gz RFELNWHCKNPYBW-MRXNPFEDSA-N 1 0 390.571 2.125 20 0 GEADRO COC[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000539045788 650841439 /nfs/dbraw/zinc/84/14/39/650841439.db2.gz SFNRRMHBEDABFB-HUUCEWRRSA-N 1 0 380.432 2.407 20 0 GEADRO COCCOC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000116886423 643473791 /nfs/dbraw/zinc/47/37/91/643473791.db2.gz KRNXVBJPFAUYGQ-HNNXBMFYSA-N 1 0 388.302 2.316 20 0 GEADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCN1CC[NH+](C)CC1 ZINC000117234072 643484890 /nfs/dbraw/zinc/48/48/90/643484890.db2.gz HETRYGCJMWCMPY-INIZCTEOSA-N 1 0 382.346 2.381 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Br)c1COC ZINC000118097007 643504938 /nfs/dbraw/zinc/50/49/38/643504938.db2.gz CDGDVLUUXLVHHV-LBPRGKRZSA-N 1 0 398.301 2.135 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1)C(C)C ZINC000118119266 643505691 /nfs/dbraw/zinc/50/56/91/643505691.db2.gz WTCAZBQFQIFGJU-VWLOTQADSA-N 1 0 387.933 2.004 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000118580775 643516077 /nfs/dbraw/zinc/51/60/77/643516077.db2.gz WYUGSJKYKDNLGZ-HNNXBMFYSA-N 1 0 390.311 2.437 20 0 GEADRO [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000498202262 650850551 /nfs/dbraw/zinc/85/05/51/650850551.db2.gz STRRYXUMSKNILP-MFKMUULPSA-N 1 0 376.245 2.374 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc(Br)ccc1=O ZINC000119348126 643547558 /nfs/dbraw/zinc/54/75/58/643547558.db2.gz XSQULGKKWAPEOW-OAHLLOKOSA-N 1 0 384.318 2.238 20 0 GEADRO [NH3+][C@H](CC(F)F)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000498199309 650850667 /nfs/dbraw/zinc/85/06/67/650850667.db2.gz CBMUDWYCEPOJTE-SNVBAGLBSA-N 1 0 378.217 2.207 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)c(Cl)cc1F ZINC000119683967 643565773 /nfs/dbraw/zinc/56/57/73/643565773.db2.gz UBOUSBHGVPSDHF-UHFFFAOYSA-N 1 0 378.897 2.255 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000119909882 643578842 /nfs/dbraw/zinc/57/88/42/643578842.db2.gz ZYEDTFJJQOOHNN-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CCn1cc(Br)ccc1=O)c1ccccc1 ZINC000119972585 643583105 /nfs/dbraw/zinc/58/31/05/643583105.db2.gz UJVLKDOGKGYXBC-INIZCTEOSA-N 1 0 392.297 2.420 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]([NH3+])CC(F)F ZINC000498196583 650850261 /nfs/dbraw/zinc/85/02/61/650850261.db2.gz VACICYYOOYFLHH-JTQLQIEISA-N 1 0 378.217 2.137 20 0 GEADRO CC1CC[NH+](CCCNC(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000120110666 643592759 /nfs/dbraw/zinc/59/27/59/643592759.db2.gz DZGYVODZISJLOF-UHFFFAOYSA-N 1 0 384.318 2.239 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000498213436 650851526 /nfs/dbraw/zinc/85/15/26/650851526.db2.gz ZLAZARAQCVXIJQ-JTQLQIEISA-N 1 0 378.217 2.185 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccc(Br)cc1 ZINC000498219074 650851844 /nfs/dbraw/zinc/85/18/44/650851844.db2.gz ZWODVQKKGLLXGZ-MNOVXSKESA-N 1 0 379.201 2.152 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000120406725 643604742 /nfs/dbraw/zinc/60/47/42/643604742.db2.gz BATTWZVZXMKKJA-ZDUSSCGKSA-N 1 0 390.285 2.389 20 0 GEADRO COc1ccc(C[NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)c(Cl)c1 ZINC000539878391 650852455 /nfs/dbraw/zinc/85/24/55/650852455.db2.gz QKYHAVBGXPJIES-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cc(Br)ccc3F)CC[C@@H]21 ZINC000120539638 643617607 /nfs/dbraw/zinc/61/76/07/643617607.db2.gz NMSHLZBOAOWWPR-NHYWBVRUSA-N 1 0 398.276 2.469 20 0 GEADRO CC(C)NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000120555588 643618798 /nfs/dbraw/zinc/61/87/98/643618798.db2.gz HWYIJBIBGUEIPI-UHFFFAOYSA-N 1 0 383.290 2.019 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1Cl)c1ccccc1 ZINC000539932019 650854053 /nfs/dbraw/zinc/85/40/53/650854053.db2.gz RESJGVYZQFCUQW-MRXNPFEDSA-N 1 0 381.885 2.020 20 0 GEADRO CC(=O)N1CSC[C@H]1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000121917842 643645829 /nfs/dbraw/zinc/64/58/29/643645829.db2.gz SUISXENYMNJRGF-KRWDZBQOSA-N 1 0 381.929 2.296 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000121896677 643645967 /nfs/dbraw/zinc/64/59/67/643645967.db2.gz KSMHXUDKHPXHKA-UHFFFAOYSA-N 1 0 387.933 2.004 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C1 ZINC000122450323 643655503 /nfs/dbraw/zinc/65/55/03/643655503.db2.gz JIRNGHINPHKAKK-AWEZNQCLSA-N 1 0 387.933 2.147 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000540151203 650858197 /nfs/dbraw/zinc/85/81/97/650858197.db2.gz NYGIVJGVYFFCGR-QMTHXVAHSA-N 1 0 394.718 2.493 20 0 GEADRO CCOCCO[C@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124343767 643684995 /nfs/dbraw/zinc/68/49/95/643684995.db2.gz JPDIESCDPMWNDE-ZDUSSCGKSA-N 1 0 396.285 2.244 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000125080448 643700549 /nfs/dbraw/zinc/70/05/49/643700549.db2.gz VVQJXGGAEJDWCO-XHDPSFHLSA-N 1 0 388.249 2.465 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)NCC[NH+](C)C)c(Cl)cc1Cl ZINC000125536963 643708960 /nfs/dbraw/zinc/70/89/60/643708960.db2.gz AFZXKTWPIUYOBL-UHFFFAOYSA-N 1 0 396.340 2.219 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)ccc1S(C)(=O)=O ZINC000125800807 643711010 /nfs/dbraw/zinc/71/10/10/643711010.db2.gz OJAFNAPLJXGNRN-AAEUAGOBSA-N 1 0 380.432 2.386 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(Cl)c(Br)c2)CC1=O ZINC000125981960 643717282 /nfs/dbraw/zinc/71/72/82/643717282.db2.gz PCXZUWXYWZZURN-SNVBAGLBSA-N 1 0 388.693 2.451 20 0 GEADRO C[NH+](C)CC1(CNC(=O)CNC(=O)c2ccc(Br)cc2)CCCC1 ZINC000126007365 643718432 /nfs/dbraw/zinc/71/84/32/643718432.db2.gz NPRVKVGSOMRJAE-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)c1cccc(Br)c1I ZINC000126145450 643722379 /nfs/dbraw/zinc/72/23/79/643722379.db2.gz NSFXXQQFTQHGMY-ZETCQYMHSA-N 1 0 395.038 2.145 20 0 GEADRO COC(=O)CCNC(=O)CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126236546 643724884 /nfs/dbraw/zinc/72/48/84/643724884.db2.gz KDXJLGNZTZBDEW-GFCCVEGCSA-N 1 0 375.252 2.126 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000498710656 650863077 /nfs/dbraw/zinc/86/30/77/650863077.db2.gz QMIAITPLJAINMD-MNOVXSKESA-N 1 0 388.331 2.182 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000498710653 650863191 /nfs/dbraw/zinc/86/31/91/650863191.db2.gz QMIAITPLJAINMD-GHMZBOCLSA-N 1 0 388.331 2.182 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000498726867 650863337 /nfs/dbraw/zinc/86/33/37/650863337.db2.gz OLIOYMJVYSKILK-KBPBESRZSA-N 1 0 394.313 2.355 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000126974160 643752697 /nfs/dbraw/zinc/75/26/97/643752697.db2.gz OYVFPLBPJBKMGL-UHFFFAOYSA-N 1 0 390.272 2.483 20 0 GEADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)N[C@H]1CC[NH2+]C1 ZINC000127111722 643758156 /nfs/dbraw/zinc/75/81/56/643758156.db2.gz JRWAOUBILYICQW-VFQAQYNWSA-N 1 0 383.286 2.356 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000498767606 650864842 /nfs/dbraw/zinc/86/48/42/650864842.db2.gz WLWOBKWJKYBRAJ-RYUDHWBXSA-N 1 0 382.555 2.250 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCOCC1 ZINC000127296020 643769539 /nfs/dbraw/zinc/76/95/39/643769539.db2.gz LYACAWFLSJEYRJ-AWEZNQCLSA-N 1 0 390.311 2.437 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1Br ZINC000127356949 643772837 /nfs/dbraw/zinc/77/28/37/643772837.db2.gz HHZJHVSCGOIKQB-QMMMGPOBSA-N 1 0 398.120 2.160 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000127496046 643777858 /nfs/dbraw/zinc/77/78/58/643777858.db2.gz OJGWVJSGKKLIFT-LBPRGKRZSA-N 1 0 387.311 2.026 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000128186220 643795414 /nfs/dbraw/zinc/79/54/14/643795414.db2.gz CWSVQVJPKQYRRS-LLVKDONJSA-N 1 0 375.416 2.347 20 0 GEADRO Cc1nc(NC(=O)NCCN2CCC([NH+](C)C)CC2)ccc1Br ZINC000128591233 643805819 /nfs/dbraw/zinc/80/58/19/643805819.db2.gz STWVKMBVORRTHG-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000128581572 643806035 /nfs/dbraw/zinc/80/60/35/643806035.db2.gz NOLCGFMCSQVDJB-UHFFFAOYSA-N 1 0 375.897 2.372 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000128899078 643812436 /nfs/dbraw/zinc/81/24/36/643812436.db2.gz DSBCTPJFGRUSSX-UHFFFAOYSA-N 1 0 376.245 2.095 20 0 GEADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000128964704 643815959 /nfs/dbraw/zinc/81/59/59/643815959.db2.gz NLYXFHJVIOZWPK-SECBINFHSA-N 1 0 398.120 2.194 20 0 GEADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000129194726 643818248 /nfs/dbraw/zinc/81/82/48/643818248.db2.gz FRLYOVPXJVDQEY-CQSZACIVSA-N 1 0 378.567 2.483 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000129320180 643820157 /nfs/dbraw/zinc/82/01/57/643820157.db2.gz FSQGCVSYWYTOSD-UHFFFAOYSA-N 1 0 390.272 2.485 20 0 GEADRO CNC(=O)CCCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000130365765 643836557 /nfs/dbraw/zinc/83/65/57/643836557.db2.gz GNTHRYHGCQGZBG-UHFFFAOYSA-N 1 0 384.318 2.256 20 0 GEADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000130945859 643856688 /nfs/dbraw/zinc/85/66/88/643856688.db2.gz FKUSKKYUKILOPS-BYCMXARLSA-N 1 0 382.302 2.260 20 0 GEADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000131261130 643868812 /nfs/dbraw/zinc/86/88/12/643868812.db2.gz GOWJOUZGGAGRTG-AAEUAGOBSA-N 1 0 379.309 2.401 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000132347849 643882105 /nfs/dbraw/zinc/88/21/05/643882105.db2.gz INMXBQUDFBREHO-DTWKUNHWSA-N 1 0 397.722 2.469 20 0 GEADRO CN(CCN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000132927864 643888371 /nfs/dbraw/zinc/88/83/71/643888371.db2.gz LKGUGFSFICSJMN-UHFFFAOYSA-N 1 0 395.356 2.035 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)C1 ZINC000133064475 643891584 /nfs/dbraw/zinc/89/15/84/643891584.db2.gz BAOHWSWCEMLWFN-ZDUSSCGKSA-N 1 0 387.933 2.193 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134320355 643903641 /nfs/dbraw/zinc/90/36/41/643903641.db2.gz GVIFGCJKIVFRPH-KRWDZBQOSA-N 1 0 386.323 2.267 20 0 GEADRO CN1CCO[C@H]([C@H]([NH2+]CC2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000134781829 643906471 /nfs/dbraw/zinc/90/64/71/643906471.db2.gz JEYBTGXGIYEJCD-ZWKOTPCHSA-N 1 0 386.945 2.126 20 0 GEADRO C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccc(Cl)s1 ZINC000136842242 643919883 /nfs/dbraw/zinc/91/98/83/643919883.db2.gz LDKRDYBOOVMMAZ-OLZOCXBDSA-N 1 0 384.933 2.411 20 0 GEADRO CC(C)N(CCS(C)(=O)=O)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000137115678 643920949 /nfs/dbraw/zinc/92/09/49/643920949.db2.gz DSGLCPVUOHCYCK-GFCCVEGCSA-N 1 0 384.325 2.488 20 0 GEADRO C[C@@H](Cn1cccn1)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000138927163 643923825 /nfs/dbraw/zinc/92/38/25/643923825.db2.gz NIYISTQJJXCWBC-LBPRGKRZSA-N 1 0 377.388 2.234 20 0 GEADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2sc(C)nc2C)cc1 ZINC000151332295 643937292 /nfs/dbraw/zinc/93/72/92/643937292.db2.gz QNEVAOSGTGWMNW-UHFFFAOYSA-N 1 0 382.507 2.138 20 0 GEADRO CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C)[C@@H](C)CS(=O)(=O)CC ZINC000151845183 643956251 /nfs/dbraw/zinc/95/62/51/643956251.db2.gz SUVIFRAUEKBAJU-IRXDYDNUSA-N 1 0 375.579 2.352 20 0 GEADRO CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C)[C@@H](C)CS(=O)(=O)CC ZINC000151845390 643956353 /nfs/dbraw/zinc/95/63/53/643956353.db2.gz SUVIFRAUEKBAJU-DLBZAZTESA-N 1 0 375.579 2.352 20 0 GEADRO Cn1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000499337155 650879991 /nfs/dbraw/zinc/87/99/91/650879991.db2.gz INLZUOKURQKVSY-UHFFFAOYSA-N 1 0 394.317 2.456 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Br ZINC000151915905 643961377 /nfs/dbraw/zinc/96/13/77/643961377.db2.gz PHUUDAMHWSBFDG-PWSUYJOCSA-N 1 0 396.285 2.138 20 0 GEADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000541801425 650881633 /nfs/dbraw/zinc/88/16/33/650881633.db2.gz SUDLRUJKSCNDEP-CQSZACIVSA-N 1 0 377.238 2.364 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000153576640 643994366 /nfs/dbraw/zinc/99/43/66/643994366.db2.gz ZMNCGSQPNARZFW-ZDUSSCGKSA-N 1 0 382.302 2.027 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cncc(Br)c1)[NH+](C)C ZINC000154143731 644021305 /nfs/dbraw/zinc/02/13/05/644021305.db2.gz DNNLGIKIIWMPGD-CQSZACIVSA-N 1 0 385.306 2.265 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000154161355 644022525 /nfs/dbraw/zinc/02/25/25/644022525.db2.gz QHPKDIGUUOEZKT-OAHLLOKOSA-N 1 0 390.311 2.437 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000154218282 644026888 /nfs/dbraw/zinc/02/68/88/644026888.db2.gz IBFDSWWJSQMNKP-CHWSQXEVSA-N 1 0 387.933 2.321 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000154469110 644044548 /nfs/dbraw/zinc/04/45/48/644044548.db2.gz SISHVQJYGQQARL-UHFFFAOYSA-N 1 0 395.294 2.239 20 0 GEADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCSC[C@H]1CO ZINC000499566876 650887068 /nfs/dbraw/zinc/88/70/68/650887068.db2.gz DWJLSMDUFBZWGR-QGZVFWFLSA-N 1 0 381.567 2.220 20 0 GEADRO C[NH+]1CCC(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000155604384 644077839 /nfs/dbraw/zinc/07/78/39/644077839.db2.gz GSZSFOZIGCEOQZ-UHFFFAOYSA-N 1 0 380.330 2.435 20 0 GEADRO C[C@@]1([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CCO[C@@H]1C1CC1 ZINC000542310171 650889368 /nfs/dbraw/zinc/88/93/68/650889368.db2.gz YQIQJVHKGSFVRK-IAGOWNOFSA-N 1 0 386.901 2.229 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000156336786 644089931 /nfs/dbraw/zinc/08/99/31/644089931.db2.gz AIPGNNUNZIBWNP-CQSZACIVSA-N 1 0 385.277 2.311 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cccc(C)c1Br ZINC000156368789 644091708 /nfs/dbraw/zinc/09/17/08/644091708.db2.gz PSZRAOCNOYUWBI-UHFFFAOYSA-N 1 0 379.320 2.004 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000156489716 644098518 /nfs/dbraw/zinc/09/85/18/644098518.db2.gz ZAIDASWLRLFMOP-MGPQQGTHSA-N 1 0 394.313 2.388 20 0 GEADRO COc1cc(Br)ccc1CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000542857476 650892178 /nfs/dbraw/zinc/89/21/78/650892178.db2.gz ZSNZYHRRQMJLIZ-UHFFFAOYSA-N 1 0 384.318 2.054 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)[C@@H]1C[NH3+] ZINC000156721790 644113842 /nfs/dbraw/zinc/11/38/42/644113842.db2.gz AUGSUKUBZOMNBW-NOZJJQNGSA-N 1 0 398.248 2.367 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)CN1CCOCC1 ZINC000156829712 644119832 /nfs/dbraw/zinc/11/98/32/644119832.db2.gz IFTOVWRQGJZIJQ-KBPBESRZSA-N 1 0 384.318 2.477 20 0 GEADRO OC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C1CCCCC1 ZINC000542907777 650894126 /nfs/dbraw/zinc/89/41/26/650894126.db2.gz BTTZVFYELDICNP-AWEZNQCLSA-N 1 0 380.290 2.456 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000158437967 644144776 /nfs/dbraw/zinc/14/47/76/644144776.db2.gz JCCLXONIJDTGMR-LBPRGKRZSA-N 1 0 378.270 2.457 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000542952340 650896219 /nfs/dbraw/zinc/89/62/19/650896219.db2.gz VGFXRIXJDILHHX-NSHDSACASA-N 1 0 396.285 2.240 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)[C@H](C)C1 ZINC000158886966 644165564 /nfs/dbraw/zinc/16/55/64/644165564.db2.gz UUPOHMQWUYOQQZ-DOMZBBRYSA-N 1 0 388.917 2.477 20 0 GEADRO COCC[NH+]1CCC(N[C@@H](C(=O)OC)c2cccc(Br)c2)CC1 ZINC000158985535 644171332 /nfs/dbraw/zinc/17/13/32/644171332.db2.gz QGJNWBKGISGLCC-MRXNPFEDSA-N 1 0 385.302 2.364 20 0 GEADRO Cc1cc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1Br ZINC000500129178 650897551 /nfs/dbraw/zinc/89/75/51/650897551.db2.gz LLTHNZQGAREVOX-KRWDZBQOSA-N 1 0 380.330 2.496 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159269219 644183717 /nfs/dbraw/zinc/18/37/17/644183717.db2.gz FCRXSXNWEDWJOG-OKILXGFUSA-N 1 0 377.901 2.240 20 0 GEADRO [NH3+]C1(CNC(=O)c2cccn3c(I)cnc23)CCCCC1 ZINC000159483963 644190195 /nfs/dbraw/zinc/19/01/95/644190195.db2.gz VHIXWBDLAQFFPJ-UHFFFAOYSA-N 1 0 398.248 2.330 20 0 GEADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(OC(F)F)c1 ZINC000159935833 644196151 /nfs/dbraw/zinc/19/61/51/644196151.db2.gz USAYEPVUFXOURP-ZDUSSCGKSA-N 1 0 376.469 2.448 20 0 GEADRO COCCNC(=[NH2+])NCCOc1ccc(Br)cc1C(F)(F)F ZINC000160331690 644200136 /nfs/dbraw/zinc/20/01/36/644200136.db2.gz KNTJTVGYEOXINY-UHFFFAOYSA-N 1 0 384.196 2.397 20 0 GEADRO CCN(C(=O)[C@H](C)SCC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000161039632 644207599 /nfs/dbraw/zinc/20/75/99/644207599.db2.gz AGUTZHIQXVRBHA-HOTGVXAUSA-N 1 0 378.604 2.263 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000161714477 644216565 /nfs/dbraw/zinc/21/65/65/644216565.db2.gz DOGCYOKNYOJCPV-NWDGAFQWSA-N 1 0 399.563 2.288 20 0 GEADRO CC(C)C[C@@H](C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)N1CCOCC1 ZINC000161873926 644223923 /nfs/dbraw/zinc/22/39/23/644223923.db2.gz YTKWAEBFBJNHLP-DLBZAZTESA-N 1 0 398.345 2.312 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c(Br)n1 ZINC000162836958 644241865 /nfs/dbraw/zinc/24/18/65/644241865.db2.gz XEMFAGOCIZPPKS-UHFFFAOYSA-N 1 0 385.306 2.137 20 0 GEADRO Cc1c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000163117048 644248693 /nfs/dbraw/zinc/24/86/93/644248693.db2.gz ABQUSMRWPPZWTG-MEDUHNTESA-N 1 0 393.285 2.131 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2COC)CC1 ZINC000163185091 644251405 /nfs/dbraw/zinc/25/14/05/644251405.db2.gz UUAHXIVALAXYIC-UHFFFAOYSA-N 1 0 398.301 2.088 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000163429731 644256108 /nfs/dbraw/zinc/25/61/08/644256108.db2.gz YFXZFGPFSDSTGB-AWEZNQCLSA-N 1 0 384.318 2.095 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000164213724 644260716 /nfs/dbraw/zinc/26/07/16/644260716.db2.gz QKNBIPSLSZQKNE-UHFFFAOYSA-N 1 0 375.416 2.332 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000164232876 644260751 /nfs/dbraw/zinc/26/07/51/644260751.db2.gz XNAQEXJGDNMLQR-UHFFFAOYSA-N 1 0 399.333 2.006 20 0 GEADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000164262837 644261407 /nfs/dbraw/zinc/26/14/07/644261407.db2.gz XMWKCLZPFURPNF-SMDDNHRTSA-N 1 0 397.317 2.395 20 0 GEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(Br)nc1 ZINC000166365849 644274907 /nfs/dbraw/zinc/27/49/07/644274907.db2.gz UFMGEYHEMCPRPZ-UHFFFAOYSA-N 1 0 384.322 2.334 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)NC[C@H](O)COc2ccccc2Br)CC1 ZINC000166540078 644276264 /nfs/dbraw/zinc/27/62/64/644276264.db2.gz XQYNAWMNMPBSJO-HNNXBMFYSA-N 1 0 399.329 2.425 20 0 GEADRO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000171118345 644312377 /nfs/dbraw/zinc/31/23/77/644312377.db2.gz RHKLMJIYYVRYBD-ZDUSSCGKSA-N 1 0 398.301 2.400 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1CCC(C[NH+]2CCCC2)CC1 ZINC000171131345 644312836 /nfs/dbraw/zinc/31/28/36/644312836.db2.gz MDKBWWGPPMMFFH-UHFFFAOYSA-N 1 0 379.306 2.438 20 0 GEADRO Cn1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC2 ZINC000172796376 644344091 /nfs/dbraw/zinc/34/40/91/644344091.db2.gz PTKNEUUMCAUGJU-UHFFFAOYSA-N 1 0 381.263 2.474 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000173461784 644358615 /nfs/dbraw/zinc/35/86/15/644358615.db2.gz DMDRMHGAPPQNPW-ZDUSSCGKSA-N 1 0 380.286 2.352 20 0 GEADRO COC(=O)CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C1CCOCC1 ZINC000174443862 644375423 /nfs/dbraw/zinc/37/54/23/644375423.db2.gz ORYZCLLFQMPAID-UHFFFAOYSA-N 1 0 388.917 2.404 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000175401828 644389839 /nfs/dbraw/zinc/38/98/39/644389839.db2.gz RRJCCGLICBXPSI-UHFFFAOYSA-N 1 0 387.933 2.193 20 0 GEADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000178904528 644443896 /nfs/dbraw/zinc/44/38/96/644443896.db2.gz UETYRBNMGGDYKP-MRVPVSSYSA-N 1 0 387.221 2.437 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000178962204 644447610 /nfs/dbraw/zinc/44/76/10/644447610.db2.gz VFCGOLOIAMLDNQ-IUCAKERBSA-N 1 0 382.711 2.245 20 0 GEADRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCc2sccc2C1 ZINC000180060285 644485786 /nfs/dbraw/zinc/48/57/86/644485786.db2.gz OQXWLJOQVQKYKD-KGLIPLIRSA-N 1 0 379.551 2.493 20 0 GEADRO C[NH+](C)CCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C1CCCC1 ZINC000180860821 644515342 /nfs/dbraw/zinc/51/53/42/644515342.db2.gz JQQALVGSBBEVPR-UHFFFAOYSA-N 1 0 391.896 2.073 20 0 GEADRO C[C@H]1C[C@H]([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccsc2S1 ZINC000181042985 644520416 /nfs/dbraw/zinc/52/04/16/644520416.db2.gz DVLTWXYRCHMANA-DZKIICNBSA-N 1 0 381.567 2.196 20 0 GEADRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(I)cc1 ZINC000181148427 644526348 /nfs/dbraw/zinc/52/63/48/644526348.db2.gz VEUHMHPQRIDXNH-NSHDSACASA-N 1 0 397.278 2.003 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000181370395 644533747 /nfs/dbraw/zinc/53/37/47/644533747.db2.gz PDVOHHQYAJKJJF-AWEZNQCLSA-N 1 0 375.441 2.487 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)N[C@H](CO)c2cccc(Cl)c2F)CCSC1 ZINC000544054331 650932085 /nfs/dbraw/zinc/93/20/85/650932085.db2.gz ZMYISJILRXZFHL-CJNGLKHVSA-N 1 0 375.897 2.249 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(-n3ccnc3)cs2)cc1 ZINC000544109928 650934298 /nfs/dbraw/zinc/93/42/98/650934298.db2.gz LPCOTCGYHYBZJT-UHFFFAOYSA-N 1 0 376.507 2.310 20 0 GEADRO CN(CC[NH2+][C@@H]1CCC(=O)Nc2ccccc21)S(=O)(=O)c1cccs1 ZINC000544379410 650940715 /nfs/dbraw/zinc/94/07/15/650940715.db2.gz CSBCRIVTJHORRG-CQSZACIVSA-N 1 0 379.507 2.432 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000544617187 650946376 /nfs/dbraw/zinc/94/63/76/650946376.db2.gz UGMMOTXQJMSLRI-UHFFFAOYSA-N 1 0 380.539 2.356 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)o1 ZINC000544746527 650951771 /nfs/dbraw/zinc/95/17/71/650951771.db2.gz QRBITRKEKNJLCO-CYBMUJFWSA-N 1 0 387.299 2.493 20 0 GEADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)o1 ZINC000544746533 650951777 /nfs/dbraw/zinc/95/17/77/650951777.db2.gz QRBITRKEKNJLCO-ZDUSSCGKSA-N 1 0 387.299 2.493 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccncc2I)C[C@H]1C ZINC000544792822 650954103 /nfs/dbraw/zinc/95/41/03/650954103.db2.gz CFTOELMETFCHTH-GHMZBOCLSA-N 1 0 388.253 2.055 20 0 GEADRO C[C@H]1C[C@H](NC(=O)c2ccc(I)c(O)c2)C[N@@H+]1C1CC1 ZINC000544830808 650955285 /nfs/dbraw/zinc/95/52/85/650955285.db2.gz LZLTTXAFDCIKHR-ONGXEEELSA-N 1 0 386.233 2.352 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000544836793 650955304 /nfs/dbraw/zinc/95/53/04/650955304.db2.gz KDLFCWOCJKNARA-PWSUYJOCSA-N 1 0 377.304 2.219 20 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C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000237280863 645427752 /nfs/dbraw/zinc/42/77/52/645427752.db2.gz HXDYXFXFERJYTA-LLVKDONJSA-N 1 0 375.288 2.024 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000237342693 645428419 /nfs/dbraw/zinc/42/84/19/645428419.db2.gz GKFXGUFWRDMBBD-ZIAGYGMSSA-N 1 0 394.313 2.260 20 0 GEADRO C[C@@H](CC(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000237435370 645432016 /nfs/dbraw/zinc/43/20/16/645432016.db2.gz CFCVQHAPYKSODH-DZGCQCFKSA-N 1 0 396.329 2.321 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237506997 645434510 /nfs/dbraw/zinc/43/45/10/645434510.db2.gz PQQRJGHLAAFLKK-MNOVXSKESA-N 1 0 388.331 2.135 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000237561200 645436949 /nfs/dbraw/zinc/43/69/49/645436949.db2.gz IPLMCVLPLNCVSV-NWDGAFQWSA-N 1 0 389.315 2.191 20 0 GEADRO O=C(c1cccn1-c1cccc(I)c1)N1CC[NH2+]CC1 ZINC000237814407 645443357 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[NH3+]C[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000237859004 645446184 /nfs/dbraw/zinc/44/61/84/645446184.db2.gz NADWZUJURDXHMH-MRVPVSSYSA-N 1 0 380.176 2.380 20 0 GEADRO Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000237864003 645446340 /nfs/dbraw/zinc/44/63/40/645446340.db2.gz WNFAZIHJKBESIQ-WCQYABFASA-N 1 0 387.311 2.052 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000237885407 645447076 /nfs/dbraw/zinc/44/70/76/645447076.db2.gz FFJUKISLMCVMDF-GUTXKFCHSA-N 1 0 394.313 2.436 20 0 GEADRO O=S(=O)(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000245641990 645464165 /nfs/dbraw/zinc/46/41/65/645464165.db2.gz XWZHFVRKSUGVBX-DLBZAZTESA-N 1 0 380.897 2.254 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCc2nnc[nH]2)CC1 ZINC000546905789 651014319 /nfs/dbraw/zinc/01/43/19/651014319.db2.gz FTTIEIIFFGBPAE-UHFFFAOYSA-N 1 0 392.301 2.313 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)CCN1C[C@H](C)O ZINC000246324139 645479202 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SDZSGPJHFZDVKX-KRWDZBQOSA-N 1 0 378.270 2.102 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Br)nn1C ZINC000248734778 645535891 /nfs/dbraw/zinc/53/58/91/645535891.db2.gz BUBCLDKRAFFNNI-GXTWGEPZSA-N 1 0 392.301 2.218 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000547275480 651020340 /nfs/dbraw/zinc/02/03/40/651020340.db2.gz FEUANQLXQFDLEM-ZDUSSCGKSA-N 1 0 381.192 2.264 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000249173604 645547738 /nfs/dbraw/zinc/54/77/38/645547738.db2.gz LRMPVZOQLPIMBM-SMDDNHRTSA-N 1 0 398.301 2.195 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249745132 645559888 /nfs/dbraw/zinc/55/98/88/645559888.db2.gz LTPJNZLTVGRWIX-HUUCEWRRSA-N 1 0 380.286 2.012 20 0 GEADRO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000249841487 645561966 /nfs/dbraw/zinc/56/19/66/645561966.db2.gz ZQOOFYFJKHQFBM-HIFRSBDPSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(I)cc2)[C@H]1C[NH3+] ZINC000252217815 645565512 /nfs/dbraw/zinc/56/55/12/645565512.db2.gz YEOJMXHREYXWSY-MFKMUULPSA-N 1 0 394.278 2.039 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1Br ZINC000252675163 645566808 /nfs/dbraw/zinc/56/68/08/645566808.db2.gz XPRIPBVBCPWPKR-NEPJUHHUSA-N 1 0 377.279 2.493 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000252802820 645567676 /nfs/dbraw/zinc/56/76/76/645567676.db2.gz UVCHQYVSUXAALX-FZMZJTMJSA-N 1 0 378.274 2.048 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Br)C[C@H]1[NH3+] ZINC000261550207 645587944 /nfs/dbraw/zinc/58/79/44/645587944.db2.gz MTHOFZIBDSHCDI-GMSGAONNSA-N 1 0 398.120 2.179 20 0 GEADRO C[NH2+][C@H](C)Cc1noc(Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)n1 ZINC000261605807 645589038 /nfs/dbraw/zinc/58/90/38/645589038.db2.gz ABAYQCNRUXVINA-SNVBAGLBSA-N 1 0 377.388 2.147 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)c1cccc(Br)c1I ZINC000261617416 645590242 /nfs/dbraw/zinc/59/02/42/645590242.db2.gz AYSHHQHYMJYREZ-ZETCQYMHSA-N 1 0 397.054 2.391 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000261695576 645594484 /nfs/dbraw/zinc/59/44/84/645594484.db2.gz IATSFPYKAVQFAC-CHWSQXEVSA-N 1 0 381.192 2.149 20 0 GEADRO CO[C@@H](C)c1noc(CN(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000261716908 645596022 /nfs/dbraw/zinc/59/60/22/645596022.db2.gz JQULFZAPXRMSML-QFYYESIMSA-N 1 0 397.273 2.372 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261794224 645600811 /nfs/dbraw/zinc/60/08/11/645600811.db2.gz YDQZAKOJXAGGNP-SWLSCSKDSA-N 1 0 399.276 2.222 20 0 GEADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000261796603 645600894 /nfs/dbraw/zinc/60/08/94/645600894.db2.gz DNQPVSDGJVPUQS-CQSZACIVSA-N 1 0 394.313 2.123 20 0 GEADRO C[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000261792576 645600969 /nfs/dbraw/zinc/60/09/69/645600969.db2.gz QMRCOYQFDLLPHS-SMDDNHRTSA-N 1 0 387.265 2.302 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC[C@H](CCC(N)=O)C1)c1ccc(Br)cc1 ZINC000261799513 645601004 /nfs/dbraw/zinc/60/10/04/645601004.db2.gz QTALXSVGSPQBKE-PXAZEXFGSA-N 1 0 382.302 2.127 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC[C@@H](CCC(N)=O)C1)c1ccc(Br)cc1 ZINC000261799516 645601261 /nfs/dbraw/zinc/60/12/61/645601261.db2.gz QTALXSVGSPQBKE-YVEFUNNKSA-N 1 0 382.302 2.127 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1(c2ccc(Cl)cc2)CC1 ZINC000261809824 645602119 /nfs/dbraw/zinc/60/21/19/645602119.db2.gz JNWIPMGUWZLVRU-CQSZACIVSA-N 1 0 375.822 2.324 20 0 GEADRO CCOc1c(Br)cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000261827933 645603862 /nfs/dbraw/zinc/60/38/62/645603862.db2.gz AEQIIDVNDLPACJ-OAHLLOKOSA-N 1 0 398.345 2.336 20 0 GEADRO Cn1cnnc1Sc1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1Cl ZINC000261848728 645605044 /nfs/dbraw/zinc/60/50/44/645605044.db2.gz BATHRBPFFYIWMW-UHFFFAOYSA-N 1 0 381.889 2.314 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2=O)ccc1Br ZINC000261846423 645605108 /nfs/dbraw/zinc/60/51/08/645605108.db2.gz PSEWOAWVPVEDPO-BFHYXJOUSA-N 1 0 394.313 2.306 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261859872 645606493 /nfs/dbraw/zinc/60/64/93/645606493.db2.gz XPRPCTHPDYBYSO-UWVGGRQHSA-N 1 0 379.707 2.333 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1F ZINC000261868188 645607292 /nfs/dbraw/zinc/60/72/92/645607292.db2.gz NWZWKZXCVGAQML-LBPRGKRZSA-N 1 0 398.198 2.154 20 0 GEADRO CCC(=O)N[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261878331 645608585 /nfs/dbraw/zinc/60/85/85/645608585.db2.gz YRJKRJMTCHPSRK-RHSMWYFYSA-N 1 0 382.302 2.140 20 0 GEADRO Cn1cc([C@H]2CCN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)C2)cn1 ZINC000261882396 645608606 /nfs/dbraw/zinc/60/86/06/645608606.db2.gz ZGUQRIQMJBFNJM-YVEFUNNKSA-N 1 0 377.286 2.373 20 0 GEADRO O=C(CC[C@H]1CC[NH2+]C1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000261884521 645609555 /nfs/dbraw/zinc/60/95/55/645609555.db2.gz UVAQZRVPJSJFEG-NSHDSACASA-N 1 0 378.274 2.240 20 0 GEADRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261898897 645610054 /nfs/dbraw/zinc/61/00/54/645610054.db2.gz RJSYVANSXDULLP-BXUZGUMPSA-N 1 0 379.810 2.060 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc(-c2cc(Br)cc(S(C)(=O)=O)c2F)n1 ZINC000261907409 645611033 /nfs/dbraw/zinc/61/10/33/645611033.db2.gz ZHNXNPMPJFYKRG-ZETCQYMHSA-N 1 0 392.250 2.192 20 0 GEADRO O=C(NCC1C[NH2+]C1)c1ccc(Br)cc1I ZINC000261923623 645612589 /nfs/dbraw/zinc/61/25/89/645612589.db2.gz JJRYTBIUISQLRZ-UHFFFAOYSA-N 1 0 395.038 2.003 20 0 GEADRO COC(=O)[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000261933660 645613363 /nfs/dbraw/zinc/61/33/63/645613363.db2.gz LSIFEIOVHONQNT-UONOGXRCSA-N 1 0 381.270 2.169 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1(c2cccc(Cl)c2)CC1 ZINC000262114972 645617838 /nfs/dbraw/zinc/61/78/38/645617838.db2.gz VWRINHFVMPFDTA-CQSZACIVSA-N 1 0 375.822 2.324 20 0 GEADRO CO[C@H]1CCN(CC(=O)Nc2ccc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000262292075 645624498 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O=C(NCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1cccc(Br)c1 ZINC000262513207 645634939 /nfs/dbraw/zinc/63/49/39/645634939.db2.gz FAGHENCWNPBWIJ-WQVCFCJDSA-N 1 0 394.313 2.216 20 0 GEADRO CC(C)(CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1c(F)cccc1Cl ZINC000262517683 645635127 /nfs/dbraw/zinc/63/51/27/645635127.db2.gz KIBPDRXZERPYSQ-UHFFFAOYSA-N 1 0 390.908 2.040 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000262585657 645638414 /nfs/dbraw/zinc/63/84/14/645638414.db2.gz OJWHIIUJFAKCSM-MNOVXSKESA-N 1 0 388.331 2.168 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000262598829 645639242 /nfs/dbraw/zinc/63/92/42/645639242.db2.gz WNXKIMBASDADOA-CWRNSKLLSA-N 1 0 394.313 2.297 20 0 GEADRO O=C(C[C@H]1COCC[NH2+]1)NCc1cc(Br)ccc1OC(F)F ZINC000262617038 645640532 /nfs/dbraw/zinc/64/05/32/645640532.db2.gz ZECNSDYKIYQQOL-NSHDSACASA-N 1 0 379.201 2.045 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264519592 645688339 /nfs/dbraw/zinc/68/83/39/645688339.db2.gz VUEORHIUDBXVMO-HNNXBMFYSA-N 1 0 387.311 2.475 20 0 GEADRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c2cc(Br)ccc2n1 ZINC000264752767 645711489 /nfs/dbraw/zinc/71/14/89/645711489.db2.gz MOXKGUHGSNIZHA-AWEZNQCLSA-N 1 0 391.313 2.281 20 0 GEADRO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCC[NH+]1CCSCC1 ZINC000264756858 645712054 /nfs/dbraw/zinc/71/20/54/645712054.db2.gz BZXMTQVMEAXXAE-UHFFFAOYSA-N 1 0 380.901 2.488 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000264814532 645720669 /nfs/dbraw/zinc/72/06/69/645720669.db2.gz BYKBXKRIAKCHSB-UHFFFAOYSA-N 1 0 396.285 2.139 20 0 GEADRO COc1cc(Br)c(CNC(=O)NCC[N@H+](C)C2CC2)cc1OC ZINC000264814311 645720780 /nfs/dbraw/zinc/72/07/80/645720780.db2.gz GSYVKSRFOYEGAG-UHFFFAOYSA-N 1 0 386.290 2.360 20 0 GEADRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1ccccc1I ZINC000265424154 645759123 /nfs/dbraw/zinc/75/91/23/645759123.db2.gz KCLXDPFJUCHXHO-LBPRGKRZSA-N 1 0 376.238 2.226 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1Cl ZINC000265957916 645814667 /nfs/dbraw/zinc/81/46/67/645814667.db2.gz IMOZRTAVRXIPHS-LBPRGKRZSA-N 1 0 380.341 2.216 20 0 GEADRO COCCN1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000266327916 645840121 /nfs/dbraw/zinc/84/01/21/645840121.db2.gz RHZHZILNXHIAFB-UHFFFAOYSA-N 1 0 377.304 2.232 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000267025371 645875020 /nfs/dbraw/zinc/87/50/20/645875020.db2.gz KNYJAJRZGYAOSG-UHFFFAOYSA-N 1 0 391.331 2.420 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CCSC1 ZINC000267273113 645894059 /nfs/dbraw/zinc/89/40/59/645894059.db2.gz FLBDTRYWJWRXKF-HNNXBMFYSA-N 1 0 376.309 2.485 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000267389058 645899098 /nfs/dbraw/zinc/89/90/98/645899098.db2.gz HCYZGHQWEZQACR-DGCLKSJQSA-N 1 0 398.301 2.385 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCc1cc(Cl)ccc1Br ZINC000267458578 645904189 /nfs/dbraw/zinc/90/41/89/645904189.db2.gz QTKJUWJPXBUIBJ-AWEZNQCLSA-N 1 0 388.737 2.397 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1sc(C)cc1Br ZINC000267890994 645931458 /nfs/dbraw/zinc/93/14/58/645931458.db2.gz RWOZPTCUKHOYSH-LLVKDONJSA-N 1 0 399.376 2.454 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C(F)(F)F)n1 ZINC000267917109 645934973 /nfs/dbraw/zinc/93/49/73/645934973.db2.gz CJHPVJFELZNLLG-FIXISWKDSA-N 1 0 377.432 2.333 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C[N@@H+]1C1CC1 ZINC000267921008 645935464 /nfs/dbraw/zinc/93/54/64/645935464.db2.gz QKWSKHFTNOLULZ-ZJUUUORDSA-N 1 0 384.249 2.268 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000268892561 646003612 /nfs/dbraw/zinc/00/36/12/646003612.db2.gz YMFOZWYLQANHJC-GFCCVEGCSA-N 1 0 379.448 2.272 20 0 GEADRO CNC(=O)C[C@@H](C)[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000268909728 646005086 /nfs/dbraw/zinc/00/50/86/646005086.db2.gz MWKBWKDGURHTQN-LLVKDONJSA-N 1 0 391.331 2.116 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)nc2)CCCCC1 ZINC000268922163 646006348 /nfs/dbraw/zinc/00/63/48/646006348.db2.gz JUUJCTRRFCEARC-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000268923537 646006377 /nfs/dbraw/zinc/00/63/77/646006377.db2.gz KQHUGRBZWRLRMR-QAPCUYQASA-N 1 0 383.583 2.314 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)Nc3ccc(Br)nc3)CC2)CC1 ZINC000268928378 646007244 /nfs/dbraw/zinc/00/72/44/646007244.db2.gz WTQYLOTVCZEDHF-UHFFFAOYSA-N 1 0 396.333 2.335 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)cc1Br ZINC000268944100 646008457 /nfs/dbraw/zinc/00/84/57/646008457.db2.gz TXWFHDUNLLRFAF-SWLSCSKDSA-N 1 0 384.318 2.448 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1Br ZINC000268944101 646008998 /nfs/dbraw/zinc/00/89/98/646008998.db2.gz TXWFHDUNLLRFAF-WFASDCNBSA-N 1 0 384.318 2.448 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000269095986 646015196 /nfs/dbraw/zinc/01/51/96/646015196.db2.gz MFWAWCJDIDPORD-WCQYABFASA-N 1 0 375.416 2.007 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000269211019 646022496 /nfs/dbraw/zinc/02/24/96/646022496.db2.gz CFJKFJIAVCJCQP-CYBMUJFWSA-N 1 0 380.286 2.236 20 0 GEADRO O=C(C[C@H]1C[NH2+]CCO1)NCc1cc(Br)ccc1OC(F)F ZINC000269225600 646023056 /nfs/dbraw/zinc/02/30/56/646023056.db2.gz NPKWWEVOVOULHZ-NSHDSACASA-N 1 0 379.201 2.045 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccccc1I ZINC000269449710 646035373 /nfs/dbraw/zinc/03/53/73/646035373.db2.gz GGTDJNQNIBLEPH-IAQYHMDHSA-N 1 0 384.261 2.433 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc4nc(Cl)cnc4c3)CC[C@@H]21 ZINC000269513467 646043764 /nfs/dbraw/zinc/04/37/64/646043764.db2.gz POODNMKJZAMHTL-LRDDRELGSA-N 1 0 380.901 2.388 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CSCc1ccc(Br)cc1 ZINC000269923774 646073436 /nfs/dbraw/zinc/07/34/36/646073436.db2.gz QKDHPMREAAORPG-HNNXBMFYSA-N 1 0 375.332 2.111 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000270242637 646095883 /nfs/dbraw/zinc/09/58/83/646095883.db2.gz QJUBTQAWVUDQJS-INIZCTEOSA-N 1 0 381.523 2.371 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000270343828 646105350 /nfs/dbraw/zinc/10/53/50/646105350.db2.gz CTWFKAIIEXVULG-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CSCC[NH+](C(C)C)C(C)C ZINC000270587625 646122559 /nfs/dbraw/zinc/12/25/59/646122559.db2.gz UNUFJDAGMAZODQ-UHFFFAOYSA-N 1 0 387.571 2.433 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc(OC)c2)C1 ZINC000270863062 646144379 /nfs/dbraw/zinc/14/43/79/646144379.db2.gz LRNKDZXHYZZIHF-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cc(F)c(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000270957626 646158152 /nfs/dbraw/zinc/15/81/52/646158152.db2.gz GDVRDJUFTJTXAR-LLVKDONJSA-N 1 0 394.871 2.199 20 0 GEADRO C[N@H+](CC1CCS(=O)(=O)CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000270974021 646160281 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Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cnc1Br ZINC000277611105 646450928 /nfs/dbraw/zinc/45/09/28/646450928.db2.gz XYUPHEGYOKVBNU-CQSZACIVSA-N 1 0 395.301 2.224 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277706577 646464569 /nfs/dbraw/zinc/46/45/69/646464569.db2.gz IHRUKTPPDVEONT-ZDUSSCGKSA-N 1 0 376.906 2.128 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000277794438 646472702 /nfs/dbraw/zinc/47/27/02/646472702.db2.gz VQLDPCTZEIRWOX-UHFFFAOYSA-N 1 0 386.901 2.279 20 0 GEADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccccc2Br)CCCO1 ZINC000277976632 646485508 /nfs/dbraw/zinc/48/55/08/646485508.db2.gz SZVVHBJROAHEIX-ZDUSSCGKSA-N 1 0 391.331 2.228 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2nc(C3CC3)ncc2Br)C[C@H](C)O1 ZINC000277990017 646487104 /nfs/dbraw/zinc/48/71/04/646487104.db2.gz ZJALYUNXPIIJCT-TXEJJXNPSA-N 1 0 397.317 2.346 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1Br ZINC000278068031 646489055 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COC1(C[NH2+]CCOc2ccc(I)cc2)CCOCC1 ZINC000282169613 646817925 /nfs/dbraw/zinc/81/79/25/646817925.db2.gz DYRQEYFPSKWWQB-UHFFFAOYSA-N 1 0 391.249 2.455 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000283657181 646825880 /nfs/dbraw/zinc/82/58/80/646825880.db2.gz VSVKACHYURHVRC-SWLSCSKDSA-N 1 0 382.302 2.006 20 0 GEADRO O=C(NCc1ccsc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000284100159 646833274 /nfs/dbraw/zinc/83/32/74/646833274.db2.gz TZTSYMRSEPGKPB-CQSZACIVSA-N 1 0 377.535 2.454 20 0 GEADRO CC(C)[NH+](CCNC(=O)C(=O)NCc1nc(C(F)(F)F)cs1)C(C)C ZINC000284109652 646834341 /nfs/dbraw/zinc/83/43/41/646834341.db2.gz QUEMWFRRAPVBPD-UHFFFAOYSA-N 1 0 380.436 2.013 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC000285592818 646857606 /nfs/dbraw/zinc/85/76/06/646857606.db2.gz LPKKKBHQFJILII-AWEZNQCLSA-N 1 0 387.933 2.272 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285592498 646857680 /nfs/dbraw/zinc/85/76/80/646857680.db2.gz 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O=S1(=O)CCC([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000291170680 647177903 /nfs/dbraw/zinc/17/79/03/647177903.db2.gz NCZRNYOWHSYOOZ-CYBMUJFWSA-N 1 0 378.416 2.331 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000291769267 647179058 /nfs/dbraw/zinc/17/90/58/647179058.db2.gz VPPNJFORAFPKPS-UHFFFAOYSA-N 1 0 399.285 2.076 20 0 GEADRO C[NH+]1CCC(CC(=O)NC[C@H](O)COc2ccccc2Br)CC1 ZINC000292341189 647189487 /nfs/dbraw/zinc/18/94/87/647189487.db2.gz XTWCPHUFZHDLQR-AWEZNQCLSA-N 1 0 385.302 2.037 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccccc1Br ZINC000292527760 647197770 /nfs/dbraw/zinc/19/77/70/647197770.db2.gz WVDHMXLPOKFCEN-QLFBSQMISA-N 1 0 376.316 2.428 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)(C)CCC[NH3+])C2)s1 ZINC000293611191 647215152 /nfs/dbraw/zinc/21/51/52/647215152.db2.gz GZKPBRLIPIQVQO-CQSZACIVSA-N 1 0 387.571 2.091 20 0 GEADRO C[NH+]1CCC(CC(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)CC1 ZINC000294235516 647220267 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CC(C)(CN1CCOCC1)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000308648970 647280541 /nfs/dbraw/zinc/28/05/41/647280541.db2.gz UOVXMHCVAZDYFP-AWEZNQCLSA-N 1 0 377.312 2.434 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000317425658 647285799 /nfs/dbraw/zinc/28/57/99/647285799.db2.gz LATSAZZAUQRMNC-NSHDSACASA-N 1 0 392.275 2.072 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000319629659 647290648 /nfs/dbraw/zinc/29/06/48/647290648.db2.gz BILGEFZQZNQRPL-MWLCHTKSSA-N 1 0 392.275 2.070 20 0 GEADRO CC1CC[NH+](CCCNS(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000321350864 647292522 /nfs/dbraw/zinc/29/25/22/647292522.db2.gz XXQZPZBPFCVGKP-UHFFFAOYSA-N 1 0 376.935 2.450 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000322368209 647295659 /nfs/dbraw/zinc/29/56/59/647295659.db2.gz JWAKCJMRRBQPRH-UHFFFAOYSA-N 1 0 394.235 2.493 20 0 GEADRO Cn1nnc(Br)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000323867062 647299058 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CC[NH+](CC)C[C@@H]1CCN(C(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000331568010 647389617 /nfs/dbraw/zinc/38/96/17/647389617.db2.gz VURGIEPDSVFLQT-LBPRGKRZSA-N 1 0 380.290 2.296 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000331721635 647396121 /nfs/dbraw/zinc/39/61/21/647396121.db2.gz SYZYAWPKBRQEQA-ZTFRIQLXSA-N 1 0 387.307 2.378 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@H](C)C[NH2+]1 ZINC000332061673 647409029 /nfs/dbraw/zinc/40/90/29/647409029.db2.gz QCTSQQFRHODMCE-GHMZBOCLSA-N 1 0 379.262 2.244 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000332110714 647412235 /nfs/dbraw/zinc/41/22/35/647412235.db2.gz CAOBSECFGMDQBY-XEZPLFJOSA-N 1 0 394.313 2.263 20 0 GEADRO C[C@H]1C[C@H](CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC[NH2+]1 ZINC000332122490 647413885 /nfs/dbraw/zinc/41/38/85/647413885.db2.gz AIIRVTDKEJSQBR-UONOGXRCSA-N 1 0 389.924 2.174 20 0 GEADRO CS[C@@H]1CN(C(=O)c2nnn(-c3cccc(Cl)c3)c2C)C[C@@H]1[NH+](C)C ZINC000332131415 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386.677 2.251 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332560194 647445860 /nfs/dbraw/zinc/44/58/60/647445860.db2.gz PZUKOPTXMUZYHI-VHSXEESVSA-N 1 0 386.677 2.109 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[C@H]1[NH3+] ZINC000332664812 647451201 /nfs/dbraw/zinc/45/12/01/647451201.db2.gz LONJWWRATUTHSC-IVMMDQJWSA-N 1 0 381.318 2.407 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000332788466 647453805 /nfs/dbraw/zinc/45/38/05/647453805.db2.gz YJBQOIDOYXBKDU-RBSFLKMASA-N 1 0 380.286 2.059 20 0 GEADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333099160 647461486 /nfs/dbraw/zinc/46/14/86/647461486.db2.gz AOAQNSAXOHXNQW-ZJUUUORDSA-N 1 0 381.864 3.071 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccnn3-c3ccc(Br)cn3)C[C@@H]12 ZINC000333258774 647468180 /nfs/dbraw/zinc/46/81/80/647468180.db2.gz DPMASADIRXUERY-CYZMBNFOSA-N 1 0 391.273 2.231 20 0 GEADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1sccc1Cl ZINC000333272979 647468867 /nfs/dbraw/zinc/46/88/67/647468867.db2.gz CUAQPIRAMCURPF-KGLIPLIRSA-N 1 0 378.947 2.448 20 0 GEADRO C[C@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[NH2+]1 ZINC000333379475 647470426 /nfs/dbraw/zinc/47/04/26/647470426.db2.gz VZBVLBPWBNHTSN-VIFPVBQESA-N 1 0 382.287 2.793 20 0 GEADRO Cc1c(Br)cccc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333623331 647476542 /nfs/dbraw/zinc/47/65/42/647476542.db2.gz UQFNZOQDORMLEB-GXTWGEPZSA-N 1 0 378.274 2.450 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000333677722 647478926 /nfs/dbraw/zinc/47/89/26/647478926.db2.gz OGYWOPOYPKAXQN-CYBMUJFWSA-N 1 0 385.295 2.213 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000333762241 647480822 /nfs/dbraw/zinc/48/08/22/647480822.db2.gz ZZDQZPKCTJZFED-NWDGAFQWSA-N 1 0 378.274 2.194 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000333762243 647481205 /nfs/dbraw/zinc/48/12/05/647481205.db2.gz ZZDQZPKCTJZFED-RYUDHWBXSA-N 1 0 378.274 2.194 20 0 GEADRO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333801951 647482755 /nfs/dbraw/zinc/48/27/55/647482755.db2.gz HXHYMGMPOMVNIH-SCLBCKFNSA-N 1 0 392.297 2.157 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000334090641 647489690 /nfs/dbraw/zinc/48/96/90/647489690.db2.gz NZGCRKPWHCIABE-CYBMUJFWSA-N 1 0 384.322 2.343 20 0 GEADRO COCCC[N@H+](C)CCN1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O ZINC000349415802 647504271 /nfs/dbraw/zinc/50/42/71/647504271.db2.gz APANLSGRZFUXQJ-HNNXBMFYSA-N 1 0 398.301 2.353 20 0 GEADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cc(Br)co3)n2)CC1 ZINC000351210180 647550690 /nfs/dbraw/zinc/55/06/90/647550690.db2.gz GFUINJHZWYXGFP-UHFFFAOYSA-N 1 0 383.246 2.187 20 0 GEADRO O=S(=O)(c1cc(F)cc(Cl)c1)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000361779487 647563686 /nfs/dbraw/zinc/56/36/86/647563686.db2.gz HTMGSOKDPLUHBY-CABCVRRESA-N 1 0 376.881 2.089 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)ccc1Br ZINC000362026103 647566087 /nfs/dbraw/zinc/56/60/87/647566087.db2.gz VHDNCOBUKYMBDV-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cccc(Br)n1 ZINC000362336876 647569903 /nfs/dbraw/zinc/56/99/03/647569903.db2.gz QQTPNWWNDQGTNS-MCIONIFRSA-N 1 0 382.302 2.463 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362806886 647573949 /nfs/dbraw/zinc/57/39/49/647573949.db2.gz PJZLKHJHRCBPJJ-STQMWFEESA-N 1 0 379.309 2.276 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000362879141 647575278 /nfs/dbraw/zinc/57/52/78/647575278.db2.gz HWGVCHAOBAOBGZ-CQSZACIVSA-N 1 0 385.555 2.185 20 0 GEADRO O=C(CCc1ccccc1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363027657 647579598 /nfs/dbraw/zinc/57/95/98/647579598.db2.gz FNKOCWJGSXUEBE-IAGOWNOFSA-N 1 0 381.314 2.439 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363114598 647585356 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Cc1cc(S(=O)(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)sc1Cl ZINC000364409948 647625553 /nfs/dbraw/zinc/62/55/53/647625553.db2.gz AAFOOTPBFUMRLW-CQSZACIVSA-N 1 0 391.990 2.358 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCCC2)C1)c1cnn(CC(F)F)c1 ZINC000364417592 647626107 /nfs/dbraw/zinc/62/61/07/647626107.db2.gz PXNJLOFFDYMUNT-ZDUSSCGKSA-N 1 0 376.473 2.224 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(c2cccc(Br)c2)CC1 ZINC000364466101 647628022 /nfs/dbraw/zinc/62/80/22/647628022.db2.gz GNWIKHDBPIPZNW-HZPDHXFCSA-N 1 0 379.298 2.460 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364497595 647630369 /nfs/dbraw/zinc/63/03/69/647630369.db2.gz ZCZTXTZDRUIWCG-XJKSGUPXSA-N 1 0 392.301 2.335 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C[C@@H](O)c3cccc(Br)c3)CC2)C1 ZINC000364553245 647635053 /nfs/dbraw/zinc/63/50/53/647635053.db2.gz BHCIPHJYBGZNKX-ZWKOTPCHSA-N 1 0 382.346 2.194 20 0 GEADRO CSc1ccccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000364597188 647638458 /nfs/dbraw/zinc/63/84/58/647638458.db2.gz DHOUDQZZAVGVHM-HZPDHXFCSA-N 1 0 383.583 2.055 20 0 GEADRO C[N@H+](CCC(=O)N1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364726546 647639091 /nfs/dbraw/zinc/63/90/91/647639091.db2.gz YLWMTQDXYBKELT-OAHLLOKOSA-N 1 0 383.286 2.453 20 0 GEADRO CC[C@@H](NC(=O)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1)c1cccs1 ZINC000364776791 647641882 /nfs/dbraw/zinc/64/18/82/647641882.db2.gz KBZZYVIQISYDCZ-LSDHHAIUSA-N 1 0 385.555 2.150 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364949275 647650631 /nfs/dbraw/zinc/65/06/31/647650631.db2.gz NUEZOSXOAGEJSG-UONOGXRCSA-N 1 0 384.318 2.165 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000364953547 647651935 /nfs/dbraw/zinc/65/19/35/647651935.db2.gz LLIOXTVGIFFWAG-HUUCEWRRSA-N 1 0 395.345 2.251 20 0 GEADRO [NH3+][C@H]1CCC[C@]12CCN(S(=O)(=O)c1cc(Br)ccc1F)C2 ZINC000365058981 647656091 /nfs/dbraw/zinc/65/60/91/647656091.db2.gz QRORDULGZGBEOV-UONOGXRCSA-N 1 0 377.279 2.480 20 0 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647695239 /nfs/dbraw/zinc/69/52/39/647695239.db2.gz AOJBKWKFCKRFMX-CYBMUJFWSA-N 1 0 388.892 2.169 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(C)ccc1I ZINC000366964224 647711222 /nfs/dbraw/zinc/71/12/22/647711222.db2.gz SKMOLMFZQFBHPZ-QWRGUYRKSA-N 1 0 376.213 2.372 20 0 GEADRO C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000367281960 647726700 /nfs/dbraw/zinc/72/67/00/647726700.db2.gz FNGIGIXEFJOWIW-GOSISDBHSA-N 1 0 385.961 2.272 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367401498 647732322 /nfs/dbraw/zinc/73/23/22/647732322.db2.gz LMBJGTNQMSOOAJ-ZYHUDNBSSA-N 1 0 375.441 2.441 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1Br ZINC000367766679 647744010 /nfs/dbraw/zinc/74/40/10/647744010.db2.gz DDYVUFXTJHJZPK-DOMZBBRYSA-N 1 0 380.286 2.249 20 0 GEADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(F)c2)c2ccccc2O1 ZINC000367778903 647745761 /nfs/dbraw/zinc/74/57/61/647745761.db2.gz XEBDCSWGSCKNNN-NSHDSACASA-N 1 0 385.848 2.392 20 0 GEADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1CN(C2CC2)CCO1 ZINC000368175406 647752851 /nfs/dbraw/zinc/75/28/51/647752851.db2.gz APQGJKIXQMYXAS-JKSUJKDBSA-N 1 0 388.295 2.189 20 0 GEADRO O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368386046 647755596 /nfs/dbraw/zinc/75/55/96/647755596.db2.gz TVJBAFOHNMZPQU-HIFRSBDPSA-N 1 0 376.503 2.405 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368632341 647762293 /nfs/dbraw/zinc/76/22/93/647762293.db2.gz KQJXYRSZKUFCOR-CYBMUJFWSA-N 1 0 377.279 2.317 20 0 GEADRO CCC[NH+]1CCN(C2CCN(C(=O)NCCSC(F)(F)F)CC2)CC1 ZINC000369150433 647770474 /nfs/dbraw/zinc/77/04/74/647770474.db2.gz YQFLYSWTBNBIBH-UHFFFAOYSA-N 1 0 382.496 2.441 20 0 GEADRO CS[C@@H](CO)[C@@H](C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000369146729 647770505 /nfs/dbraw/zinc/77/05/05/647770505.db2.gz ZSTIJYFWMSRNRO-OFVDZJKFSA-N 1 0 383.480 2.203 20 0 GEADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369183233 647771712 /nfs/dbraw/zinc/77/17/12/647771712.db2.gz KZUUZBAVAGBMHK-NSHDSACASA-N 1 0 377.279 2.447 20 0 GEADRO C[C@@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000369441365 647777685 /nfs/dbraw/zinc/77/76/85/647777685.db2.gz UGLGMHHZZBVHTL-ZYHUDNBSSA-N 1 0 391.693 2.053 20 0 GEADRO COC(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000369445978 647778170 /nfs/dbraw/zinc/77/81/70/647778170.db2.gz KYNHJXYGCBUZDH-WMLDXEAASA-N 1 0 388.917 2.205 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000370204536 647782388 /nfs/dbraw/zinc/78/23/88/647782388.db2.gz RBRGFFGEXCTHGX-OAHLLOKOSA-N 1 0 386.901 2.279 20 0 GEADRO Cc1cccc(C(=O)N2CCCN(CC(=O)NC(C)C)CC2)c1Br ZINC000371115653 647785714 /nfs/dbraw/zinc/78/57/14/647785714.db2.gz ANXDKKHAJCCKPW-UHFFFAOYSA-N 1 0 396.329 2.430 20 0 GEADRO Cc1n[nH]cc1-c1nnc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000372600324 647808543 /nfs/dbraw/zinc/80/85/43/647808543.db2.gz KGJARFQOEREOLP-NSHDSACASA-N 1 0 377.499 2.723 20 0 GEADRO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)C(=O)NCCF ZINC000374311084 647821073 /nfs/dbraw/zinc/82/10/73/647821073.db2.gz LUPCCCAFOUUEBO-NSHDSACASA-N 1 0 375.897 2.204 20 0 GEADRO CCC[C@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccsc1 ZINC000375572134 647832184 /nfs/dbraw/zinc/83/21/84/647832184.db2.gz PJRRGVPJDMHPJB-KRWDZBQOSA-N 1 0 387.571 2.220 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3c2C[NH2+]CC3)c1 ZINC000375942182 647837496 /nfs/dbraw/zinc/83/74/96/647837496.db2.gz SDXYOUHVWQVFJK-UHFFFAOYSA-N 1 0 379.869 2.146 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000376082585 647838724 /nfs/dbraw/zinc/83/87/24/647838724.db2.gz VBQZYVBNQYWWFB-WMLDXEAASA-N 1 0 384.929 2.447 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000376287362 647841758 /nfs/dbraw/zinc/84/17/58/647841758.db2.gz UPWZPJOMWRHAGR-QWRGUYRKSA-N 1 0 394.269 2.137 20 0 GEADRO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376355254 647843473 /nfs/dbraw/zinc/84/34/73/647843473.db2.gz VSRIUJUPRJBWBF-SWLSCSKDSA-N 1 0 386.901 2.374 20 0 GEADRO C[C@@H](c1ncc(Br)cn1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000376513129 647848192 /nfs/dbraw/zinc/84/81/92/647848192.db2.gz UOKPGWRPSJIISV-GOEBONIOSA-N 1 0 382.350 2.402 20 0 GEADRO C[C@@H](c1ncc(Br)cn1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000376513130 647848218 /nfs/dbraw/zinc/84/82/18/647848218.db2.gz UOKPGWRPSJIISV-HOCLYGCPSA-N 1 0 382.350 2.402 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)Nc1nc2c(s1)CSCC2)[NH+]1CCCC1 ZINC000376704501 647848946 /nfs/dbraw/zinc/84/89/46/647848946.db2.gz AYNYLJZEHXKCME-ZDUSSCGKSA-N 1 0 382.555 2.108 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000376954951 647851652 /nfs/dbraw/zinc/85/16/52/647851652.db2.gz MROQBNLFGAGHCO-OAHLLOKOSA-N 1 0 395.345 2.252 20 0 GEADRO CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)NCC(F)(F)Br)C1 ZINC000377202359 647855855 /nfs/dbraw/zinc/85/58/55/647855855.db2.gz BLVWIOWMQGPAIP-UHFFFAOYSA-N 1 0 390.228 2.107 20 0 GEADRO NS(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000377658180 647863700 /nfs/dbraw/zinc/86/37/00/647863700.db2.gz UDOHUTJJHJCWRD-ZDUSSCGKSA-N 1 0 394.278 2.107 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c(Br)cc1O ZINC000377727500 647865931 /nfs/dbraw/zinc/86/59/31/647865931.db2.gz UXLJCJFMMAJKIS-HACGYAERSA-N 1 0 399.285 2.079 20 0 GEADRO Cc1onc(N)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000377840082 647868470 /nfs/dbraw/zinc/86/84/70/647868470.db2.gz PHXDQIPFBKOZLK-GXTWGEPZSA-N 1 0 384.889 2.190 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Br ZINC000389826102 647891804 /nfs/dbraw/zinc/89/18/04/647891804.db2.gz ONWVQQSASFRCRX-SNVBAGLBSA-N 1 0 392.091 2.320 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CCOc1cccc(Br)c1)C2=O ZINC000391748180 647893933 /nfs/dbraw/zinc/89/39/33/647893933.db2.gz NITJREWSVXKTPR-YVEFUNNKSA-N 1 0 396.285 2.267 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CNC(=O)C1 ZINC000398327561 647899065 /nfs/dbraw/zinc/89/90/65/647899065.db2.gz DCSNEAZNJPYAGH-MRVPVSSYSA-N 1 0 392.091 2.446 20 0 GEADRO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000398845982 647900063 /nfs/dbraw/zinc/90/00/63/647900063.db2.gz VZLSSNZFRXAKPS-NEPJUHHUSA-N 1 0 388.249 2.180 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(I)cc2)C1 ZINC000398932309 647900881 /nfs/dbraw/zinc/90/08/81/647900881.db2.gz YQDACORDRANCHT-CQSZACIVSA-N 1 0 388.249 2.132 20 0 GEADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000400150347 647902061 /nfs/dbraw/zinc/90/20/61/647902061.db2.gz CVGLBGSQKWXXEC-NSHDSACASA-N 1 0 399.257 2.174 20 0 GEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1nscc1Br ZINC000404778527 647907946 /nfs/dbraw/zinc/90/79/46/647907946.db2.gz VAXKCVISSTXADH-UHFFFAOYSA-N 1 0 375.336 2.004 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404677921 647907995 /nfs/dbraw/zinc/90/79/95/647907995.db2.gz FEMLZNFBKJQIJP-ZDUSSCGKSA-N 1 0 392.301 2.166 20 0 GEADRO CS(=O)(=O)CCC[NH2+]Cc1cc(Cl)ccc1I ZINC000405298202 647910367 /nfs/dbraw/zinc/91/03/67/647910367.db2.gz LYNUQQOWSCNMCG-UHFFFAOYSA-N 1 0 387.670 2.469 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNCc1cc(Cl)ccc1I ZINC000405815234 647911718 /nfs/dbraw/zinc/91/17/18/647911718.db2.gz VKFOCIZZJFPZBT-CYBMUJFWSA-N 1 0 393.700 2.280 20 0 GEADRO Cc1[nH+]c2ccc(Br)cc2c(N2CC[C@@H](S(N)(=O)=O)C2)c1C ZINC000407994509 647915281 /nfs/dbraw/zinc/91/52/81/647915281.db2.gz CIXMGZRFRNVQOB-GFCCVEGCSA-N 1 0 384.299 2.481 20 0 GEADRO Cc1[nH+]c2ccc(Br)cc2c(N2CC[C@H](S(N)(=O)=O)C2)c1C ZINC000407994511 647915431 /nfs/dbraw/zinc/91/54/31/647915431.db2.gz CIXMGZRFRNVQOB-LBPRGKRZSA-N 1 0 384.299 2.481 20 0 GEADRO C[N@H+](CC(=O)NCc1cc(Cl)ccc1N1CCOCC1)[C@H]1CCSC1 ZINC000410042526 647992228 /nfs/dbraw/zinc/99/22/28/647992228.db2.gz GASXYGLBNWVHQG-INIZCTEOSA-N 1 0 383.945 2.230 20 0 GEADRO Cc1ncsc1CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000411028203 648020912 /nfs/dbraw/zinc/02/09/12/648020912.db2.gz FCXUAWRDSQYFPC-UHFFFAOYSA-N 1 0 380.539 2.062 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000411667946 648029896 /nfs/dbraw/zinc/02/98/96/648029896.db2.gz IGORRNSHTAPWPD-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO COC1([C@@H](C)[NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)CCC1 ZINC000412029769 648040890 /nfs/dbraw/zinc/04/08/90/648040890.db2.gz YSKYRMQYGZZZLP-GFCCVEGCSA-N 1 0 398.301 2.051 20 0 GEADRO CNC(=O)NC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000412053695 648042557 /nfs/dbraw/zinc/04/25/57/648042557.db2.gz JAISLBOFQZMDFH-UHFFFAOYSA-N 1 0 383.290 2.171 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000412242555 648046058 /nfs/dbraw/zinc/04/60/58/648046058.db2.gz JZNAQZMPMDHTNY-NSHDSACASA-N 1 0 387.265 2.357 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000413635906 648077318 /nfs/dbraw/zinc/07/73/18/648077318.db2.gz DLRHCDYBUPWCAL-UHFFFAOYSA-N 1 0 385.917 2.195 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cccc(Br)c1Cl ZINC000413649481 648078890 /nfs/dbraw/zinc/07/88/90/648078890.db2.gz DTXUCMNOYWHRCG-AWEZNQCLSA-N 1 0 378.698 2.214 20 0 GEADRO COc1ccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c(OC)c1 ZINC000414294698 648090669 /nfs/dbraw/zinc/09/06/69/648090669.db2.gz DSYBAEVLIJCGLX-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414346732 648097929 /nfs/dbraw/zinc/09/79/29/648097929.db2.gz GGJXTUDTAFKCKC-ZDUSSCGKSA-N 1 0 389.359 2.436 20 0 GEADRO O=C(NCCc1ccc(Br)s1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414680321 648099309 /nfs/dbraw/zinc/09/93/09/648099309.db2.gz MRPPDMXVWHOALZ-UHFFFAOYSA-N 1 0 394.294 2.411 20 0 GEADRO O=C(NCCc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414699946 648099871 /nfs/dbraw/zinc/09/98/71/648099871.db2.gz JYAAIRJYHLMZBS-UHFFFAOYSA-N 1 0 379.869 2.181 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCC(C)(C)[NH3+])ccc1Cl ZINC000414709592 648100501 /nfs/dbraw/zinc/10/05/01/648100501.db2.gz FHBZSYRWYPCQFJ-UHFFFAOYSA-N 1 0 376.910 2.229 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415467925 648105031 /nfs/dbraw/zinc/10/50/31/648105031.db2.gz WRIBHGUKTIPJPB-UHFFFAOYSA-N 1 0 384.267 2.030 20 0 GEADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415472839 648106001 /nfs/dbraw/zinc/10/60/01/648106001.db2.gz ZHUXYGGMQTUHQQ-AMIZOPFISA-N 1 0 388.237 2.494 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415477096 648106380 /nfs/dbraw/zinc/10/63/80/648106380.db2.gz DNOIKTRPPDFDOB-GFCCVEGCSA-N 1 0 382.251 2.067 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000415474713 648106476 /nfs/dbraw/zinc/10/64/76/648106476.db2.gz MMSOOQDACVCHRV-UHFFFAOYSA-N 1 0 386.290 2.420 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415583544 648106731 /nfs/dbraw/zinc/10/67/31/648106731.db2.gz VUQLRERGKIZSIQ-NXEZZACHSA-N 1 0 375.803 2.118 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415583253 648106835 /nfs/dbraw/zinc/10/68/35/648106835.db2.gz VORSOFVWAUFCFS-VHSXEESVSA-N 1 0 375.416 2.317 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415607046 648110127 /nfs/dbraw/zinc/11/01/27/648110127.db2.gz FALGEHPAGRUIHF-QMTHXVAHSA-N 1 0 391.269 2.050 20 0 GEADRO C[NH2+]CCCNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415631828 648112274 /nfs/dbraw/zinc/11/22/74/648112274.db2.gz FOOXYDWJNSAHIT-UHFFFAOYSA-N 1 0 383.290 2.416 20 0 GEADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415808532 648112780 /nfs/dbraw/zinc/11/27/80/648112780.db2.gz MGGXRSDKJFXYMH-IUCAKERBSA-N 1 0 390.228 2.300 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415808863 648112875 /nfs/dbraw/zinc/11/28/75/648112875.db2.gz MJXJBJBOGFBBNM-NWDGAFQWSA-N 1 0 398.301 2.420 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000415810755 648113195 /nfs/dbraw/zinc/11/31/95/648113195.db2.gz OJYYNLITXZYANY-WDEREUQCSA-N 1 0 384.274 2.030 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000415813249 648113797 /nfs/dbraw/zinc/11/37/97/648113797.db2.gz ZWEJWYVBSQEBJC-HIFRSBDPSA-N 1 0 386.279 2.287 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415812895 648113811 /nfs/dbraw/zinc/11/38/11/648113811.db2.gz BDFJHTKUBGYSFD-RYUDHWBXSA-N 1 0 398.276 2.375 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415813345 648113901 /nfs/dbraw/zinc/11/39/01/648113901.db2.gz UEQJIYVMSNZYEM-BQBZGAKWSA-N 1 0 398.179 2.138 20 0 GEADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000416415522 648119089 /nfs/dbraw/zinc/11/90/89/648119089.db2.gz IPJMSXYSTKSRBZ-HZPDHXFCSA-N 1 0 396.619 2.020 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C1 ZINC000416415989 648119161 /nfs/dbraw/zinc/11/91/61/648119161.db2.gz UZWMXRSBKVKYCA-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000416417974 648120902 /nfs/dbraw/zinc/12/09/02/648120902.db2.gz OJZNTFDQFFHXEB-OAHLLOKOSA-N 1 0 394.946 2.073 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000416470831 648136826 /nfs/dbraw/zinc/13/68/26/648136826.db2.gz IPMYXKMNPJBUPI-LBPRGKRZSA-N 1 0 376.906 2.381 20 0 GEADRO CC[C@H](CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)CC(F)(F)F ZINC000416595897 648180963 /nfs/dbraw/zinc/18/09/63/648180963.db2.gz MIZBFCNELOWAMJ-ZDUSSCGKSA-N 1 0 384.468 2.318 20 0 GEADRO COc1ccc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000416795334 648212773 /nfs/dbraw/zinc/21/27/73/648212773.db2.gz SVLZSJOXFFKQDH-NEPJUHHUSA-N 1 0 386.290 2.377 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000416834223 648214026 /nfs/dbraw/zinc/21/40/26/648214026.db2.gz RSGYYHNCRJJFTL-CQSZACIVSA-N 1 0 397.317 2.480 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000416832817 648214218 /nfs/dbraw/zinc/21/42/18/648214218.db2.gz QNLVWJWDSITDQM-QWHCGFSZSA-N 1 0 397.317 2.465 20 0 GEADRO O=C(NCCc1cccc(Cl)c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000416865168 648215052 /nfs/dbraw/zinc/21/50/52/648215052.db2.gz DLSOTYVOJLTHIL-AWEZNQCLSA-N 1 0 378.826 2.018 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1Br ZINC000416891638 648215528 /nfs/dbraw/zinc/21/55/28/648215528.db2.gz NRHWSBLNTDOWCR-DGCLKSJQSA-N 1 0 386.290 2.278 20 0 GEADRO O=C(NCCc1ccc(Cl)s1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417113023 648225461 /nfs/dbraw/zinc/22/54/61/648225461.db2.gz JMNYGVPABSMDOC-LLVKDONJSA-N 1 0 384.855 2.079 20 0 GEADRO C[C@@H](NC(=O)N1CCC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000417167941 648227239 /nfs/dbraw/zinc/22/72/39/648227239.db2.gz ACLOVTCCPYDHBJ-LLVKDONJSA-N 1 0 384.274 2.286 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C1CCCC1 ZINC000417209915 648232333 /nfs/dbraw/zinc/23/23/33/648232333.db2.gz CRZNWCNSYHGCNP-AWEZNQCLSA-N 1 0 380.290 2.414 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417221446 648233622 /nfs/dbraw/zinc/23/36/22/648233622.db2.gz OUDLJFGZFORKMR-RISCZKNCSA-N 1 0 380.290 2.414 20 0 GEADRO C[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)[C@H](C[NH3+])C1 ZINC000417219104 648233754 /nfs/dbraw/zinc/23/37/54/648233754.db2.gz MENXTIATPCNTLT-RISCZKNCSA-N 1 0 380.290 2.366 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417223700 648234345 /nfs/dbraw/zinc/23/43/45/648234345.db2.gz LONJPXBHUZHDHL-FZMZJTMJSA-N 1 0 383.290 2.204 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000417227818 648235057 /nfs/dbraw/zinc/23/50/57/648235057.db2.gz VRVKGHSXAQSKDJ-WCQYABFASA-N 1 0 380.290 2.414 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417231366 648235633 /nfs/dbraw/zinc/23/56/33/648235633.db2.gz YBCASHURLQQQFK-NWDGAFQWSA-N 1 0 383.290 2.156 20 0 GEADRO [NH3+]C[C@H](NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000417258900 648236905 /nfs/dbraw/zinc/23/69/05/648236905.db2.gz FUWZRAXPUGANAL-LRDDRELGSA-N 1 0 381.318 2.312 20 0 GEADRO COc1cc(CNC(=O)N2CCC(C[NH3+])CC2)cc(Br)c1OC ZINC000417373433 648242048 /nfs/dbraw/zinc/24/20/48/648242048.db2.gz IXHWPIBGDTYEAI-UHFFFAOYSA-N 1 0 386.290 2.347 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000417436185 648245358 /nfs/dbraw/zinc/24/53/58/648245358.db2.gz OMXAMHAKDRTTQX-IUODEOHRSA-N 1 0 397.317 2.009 20 0 GEADRO CN(C(=O)NCCc1ccc(I)s1)C1CC[NH2+]CC1 ZINC000417437140 648245929 /nfs/dbraw/zinc/24/59/29/648245929.db2.gz GOIMQDPSKYLPQA-UHFFFAOYSA-N 1 0 393.294 2.289 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000417449135 648246800 /nfs/dbraw/zinc/24/68/00/648246800.db2.gz XLHRWEXOHMOWMP-CMPLNLGQSA-N 1 0 386.290 2.393 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417475073 648247746 /nfs/dbraw/zinc/24/77/46/648247746.db2.gz ASFAZLQFQFWXOI-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417476120 648247816 /nfs/dbraw/zinc/24/78/16/648247816.db2.gz CNPKAHNAGTUEFG-IJEWVQPXSA-N 1 0 393.329 2.279 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417494192 648250317 /nfs/dbraw/zinc/25/03/17/648250317.db2.gz XCFGNRZFRMCOCR-UHFFFAOYSA-N 1 0 399.333 2.386 20 0 GEADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N(CC[NH3+])CCO ZINC000417517206 648251108 /nfs/dbraw/zinc/25/11/08/648251108.db2.gz IQCXXGXTUSAFFD-HZMBPMFUSA-N 1 0 388.331 2.195 20 0 GEADRO COc1cc(F)c(Br)cc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000417555494 648252514 /nfs/dbraw/zinc/25/25/14/648252514.db2.gz MAZSVGTXPVBIFF-UHFFFAOYSA-N 1 0 390.253 2.175 20 0 GEADRO CC(C)(O)C[NH+]1CCN(Cc2ccc(F)cc2I)CC1 ZINC000417754655 648261370 /nfs/dbraw/zinc/26/13/70/648261370.db2.gz BKVDKWZHVCRFKO-UHFFFAOYSA-N 1 0 392.256 2.319 20 0 GEADRO C[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)Oc1cccc(Br)c1 ZINC000417799094 648262473 /nfs/dbraw/zinc/26/24/73/648262473.db2.gz RWZNHWNZXHRRLG-JOYOIKCWSA-N 1 0 380.233 2.498 20 0 GEADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)NC[C@H]1C[NH2+]CCO1 ZINC000417850378 648263611 /nfs/dbraw/zinc/26/36/11/648263611.db2.gz XNFFWUYPIGQSOS-SNVBAGLBSA-N 1 0 382.675 2.313 20 0 GEADRO COC[C@]1(CNC(=O)N[C@H](C)Cc2ccccc2Br)CCC[NH2+]1 ZINC000417897042 648265628 /nfs/dbraw/zinc/26/56/28/648265628.db2.gz RARRJMKLYRSGPS-CXAGYDPISA-N 1 0 384.318 2.448 20 0 GEADRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000417937357 648266721 /nfs/dbraw/zinc/26/67/21/648266721.db2.gz IKUZSZLCGSLORJ-GFCCVEGCSA-N 1 0 391.228 2.324 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1I ZINC000417961974 648267241 /nfs/dbraw/zinc/26/72/41/648267241.db2.gz ZASBAOIZJQIWBL-YPMHNXCESA-N 1 0 376.213 2.435 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000417992579 648268225 /nfs/dbraw/zinc/26/82/25/648268225.db2.gz WTNOINUZVMXRFY-CQSZACIVSA-N 1 0 391.368 2.429 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)NC[C@@H](C)C[NH3+])C2=O)ccc1Br ZINC000418006839 648269055 /nfs/dbraw/zinc/26/90/55/648269055.db2.gz FIWKYGYLPMDFJE-NHYWBVRUSA-N 1 0 397.317 2.147 20 0 GEADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)NC[C@H]1C[NH2+]CCCO1 ZINC000418006944 648269105 /nfs/dbraw/zinc/26/91/05/648269105.db2.gz QPEKTQYIPGCODU-CQSZACIVSA-N 1 0 395.301 2.151 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418012950 648269468 /nfs/dbraw/zinc/26/94/68/648269468.db2.gz WGVCVLMNUQIQBA-HZMBPMFUSA-N 1 0 376.810 2.354 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)NCC[C@H](C)[NH3+])C2=O)ccc1Br ZINC000418009929 648269563 /nfs/dbraw/zinc/26/95/63/648269563.db2.gz IVWJYRQDTSZMBY-WFASDCNBSA-N 1 0 397.317 2.289 20 0 GEADRO CO[C@@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)[C@@H](C[NH3+])C1 ZINC000418015545 648269916 /nfs/dbraw/zinc/26/99/16/648269916.db2.gz PYNLZBNIYYNRQH-HUUCEWRRSA-N 1 0 398.301 2.032 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@](C)(C[NH3+])C3)nc12 ZINC000418015481 648269969 /nfs/dbraw/zinc/26/99/69/648269969.db2.gz DRBCCTGJWXLUOK-QGZVFWFLSA-N 1 0 394.317 2.328 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N(C)C3CC[NH2+]CC3)nc12 ZINC000418021214 648271388 /nfs/dbraw/zinc/27/13/88/648271388.db2.gz IOSFOUPBWBSMEY-UHFFFAOYSA-N 1 0 380.290 2.299 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)nc12 ZINC000418026592 648272115 /nfs/dbraw/zinc/27/21/15/648272115.db2.gz WFSAQQJXOULTJU-SWLSCSKDSA-N 1 0 394.317 2.326 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CCO1 ZINC000418047212 648273346 /nfs/dbraw/zinc/27/33/46/648273346.db2.gz QBEMMASRKPRAKB-GJZGRUSLSA-N 1 0 386.265 2.408 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000418067606 648274494 /nfs/dbraw/zinc/27/44/94/648274494.db2.gz BSRIZYAZLXMAQL-UHFFFAOYSA-N 1 0 387.933 2.275 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000418067395 648274577 /nfs/dbraw/zinc/27/45/77/648274577.db2.gz BLMYQQHPHFLBQC-HNNXBMFYSA-N 1 0 387.933 2.450 20 0 GEADRO CN(C)C(=O)c1ccccc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000418078925 648275993 /nfs/dbraw/zinc/27/59/93/648275993.db2.gz PAWDDYAYWXTFRT-UHFFFAOYSA-N 1 0 378.270 2.102 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCc1ccc(Cl)cc1I)C1CC1 ZINC000418087239 648277335 /nfs/dbraw/zinc/27/73/35/648277335.db2.gz GMQCGEGWPDLLAK-GFCCVEGCSA-N 1 0 393.656 2.481 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2I)C1 ZINC000418091064 648278375 /nfs/dbraw/zinc/27/83/75/648278375.db2.gz PBJNHGIQAUSDQZ-SNVBAGLBSA-N 1 0 379.629 2.187 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(Cl)cc1I ZINC000418093006 648278638 /nfs/dbraw/zinc/27/86/38/648278638.db2.gz SFJMKXSHCIIHCM-MRVPVSSYSA-N 1 0 381.645 2.433 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(Cl)cc1I ZINC000418093007 648278778 /nfs/dbraw/zinc/27/87/78/648278778.db2.gz SFJMKXSHCIIHCM-QMMMGPOBSA-N 1 0 381.645 2.433 20 0 GEADRO COC(=O)c1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000418105844 648280343 /nfs/dbraw/zinc/28/03/43/648280343.db2.gz BKRLDMVOAMQIJN-CHWSQXEVSA-N 1 0 385.302 2.123 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418106162 648280465 /nfs/dbraw/zinc/28/04/65/648280465.db2.gz MSCUQVIFTXSARD-HNNXBMFYSA-N 1 0 398.349 2.457 20 0 GEADRO CCOc1cc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc(Br)c1O ZINC000418108344 648280903 /nfs/dbraw/zinc/28/09/03/648280903.db2.gz FYKVMYHSWGVHJO-QWHCGFSZSA-N 1 0 387.318 2.440 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000418110548 648281571 /nfs/dbraw/zinc/28/15/71/648281571.db2.gz JOFKWDQPXJQVSG-CHWSQXEVSA-N 1 0 384.311 2.461 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000418115192 648282123 /nfs/dbraw/zinc/28/21/23/648282123.db2.gz PBBFQONAGKTUAI-KBPBESRZSA-N 1 0 399.329 2.497 20 0 GEADRO COc1cc(I)c(Cl)cc1CNC(=O)NCCC[NH3+] ZINC000418128981 648283429 /nfs/dbraw/zinc/28/34/29/648283429.db2.gz UAYBWVNMCCJHNQ-UHFFFAOYSA-N 1 0 397.644 2.101 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000418153581 648285547 /nfs/dbraw/zinc/28/55/47/648285547.db2.gz VCOUAGYTZOZOEX-KBPBESRZSA-N 1 0 386.290 2.105 20 0 GEADRO COCC[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000418157502 648285758 /nfs/dbraw/zinc/28/57/58/648285758.db2.gz CBDMAIOJJMMELA-WFASDCNBSA-N 1 0 376.284 2.440 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CCCO1 ZINC000418170498 648286356 /nfs/dbraw/zinc/28/63/56/648286356.db2.gz ZJBOMZYKJVMQDA-SMDDNHRTSA-N 1 0 384.274 2.032 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CCCO1 ZINC000418170495 648286381 /nfs/dbraw/zinc/28/63/81/648286381.db2.gz ZJBOMZYKJVMQDA-BXUZGUMPSA-N 1 0 384.274 2.032 20 0 GEADRO C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)c1ncc(Br)cn1 ZINC000418219789 648287699 /nfs/dbraw/zinc/28/76/99/648287699.db2.gz SSJODAGTQNXEIF-GFCCVEGCSA-N 1 0 393.289 2.174 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCc1c(Br)cncc1Br)C1CC1 ZINC000418234127 648288837 /nfs/dbraw/zinc/28/88/37/648288837.db2.gz ICJUGHPNTZMFPX-NSHDSACASA-N 1 0 392.095 2.143 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)NCc2c(Br)cncc2Br)C1 ZINC000418239833 648289783 /nfs/dbraw/zinc/28/97/83/648289783.db2.gz QXYJAGMUKRMODY-MRVPVSSYSA-N 1 0 392.095 2.239 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)NCc1nc2c(cccc2Br)[nH]1 ZINC000418256657 648290047 /nfs/dbraw/zinc/29/00/47/648290047.db2.gz CFEOFILWFZORMN-UHFFFAOYSA-N 1 0 378.274 2.434 20 0 GEADRO CN(Cc1cc(Br)ccc1F)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418284681 648290882 /nfs/dbraw/zinc/29/08/82/648290882.db2.gz CMSZDQNKJKPDPP-UHFFFAOYSA-N 1 0 387.297 2.025 20 0 GEADRO CC(C)(NC(=O)NCCCN1CC[NH2+]CC1)c1ccccc1Br ZINC000418302624 648292101 /nfs/dbraw/zinc/29/21/01/648292101.db2.gz TWPPLVJVIJKMKQ-UHFFFAOYSA-N 1 0 383.334 2.279 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C(=O)NC1CC[NH2+]CC1 ZINC000418304484 648292232 /nfs/dbraw/zinc/29/22/32/648292232.db2.gz FSAQMDFASVBISA-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO [NH3+]CCNC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000418309710 648292378 /nfs/dbraw/zinc/29/23/78/648292378.db2.gz WYPNXAFRZCKDFW-UHFFFAOYSA-N 1 0 395.223 2.258 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418329841 648293378 /nfs/dbraw/zinc/29/33/78/648293378.db2.gz BPEUNRUDUARXFR-GJZGRUSLSA-N 1 0 398.345 2.207 20 0 GEADRO C[C@@H](NC(=O)N(CCO)Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000418335778 648293744 /nfs/dbraw/zinc/29/37/44/648293744.db2.gz HRCAFPKBLAXNTQ-UKRRQHHQSA-N 1 0 384.318 2.341 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418384777 648295816 /nfs/dbraw/zinc/29/58/16/648295816.db2.gz OOHDAUHYTYNFOQ-KGLIPLIRSA-N 1 0 385.249 2.500 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000418472111 648297361 /nfs/dbraw/zinc/29/73/61/648297361.db2.gz SDDYEWZDDHCTFS-QWHCGFSZSA-N 1 0 388.306 2.006 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](O)COc1ccccc1Br ZINC000418472112 648297428 /nfs/dbraw/zinc/29/74/28/648297428.db2.gz SDDYEWZDDHCTFS-STQMWFEESA-N 1 0 388.306 2.006 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000418482480 648297804 /nfs/dbraw/zinc/29/78/04/648297804.db2.gz DWBBRCOXWCFWTL-KRWDZBQOSA-N 1 0 395.345 2.447 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418482921 648297876 /nfs/dbraw/zinc/29/78/76/648297876.db2.gz BKKSTWLNIOTAKB-INIZCTEOSA-N 1 0 387.311 2.378 20 0 GEADRO CCC[NH2+]CCNC(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br ZINC000418492015 648298369 /nfs/dbraw/zinc/29/83/69/648298369.db2.gz UJZJXGZWXFODQR-OAHLLOKOSA-N 1 0 388.306 2.132 20 0 GEADRO [NH3+][C@H](CNC(=O)NCc1noc(-c2cccc(Br)c2)n1)C1CC1 ZINC000418503985 648298707 /nfs/dbraw/zinc/29/87/07/648298707.db2.gz ZIGYJZCHYBBCCW-GFCCVEGCSA-N 1 0 380.246 2.036 20 0 GEADRO COCC[NH2+]CCNC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000418504163 648298806 /nfs/dbraw/zinc/29/88/06/648298806.db2.gz ABUYNBSEURBDFV-AWEZNQCLSA-N 1 0 386.290 2.150 20 0 GEADRO COCC[NH2+]CCNC(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000418506242 648299244 /nfs/dbraw/zinc/29/92/44/648299244.db2.gz HTDSTZAWSHDZBQ-UHFFFAOYSA-N 1 0 378.698 2.480 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC(F)(F)CN ZINC000418523099 648299705 /nfs/dbraw/zinc/29/97/05/648299705.db2.gz KIROLWWNIVMDJW-UHFFFAOYSA-N 1 0 393.276 2.116 20 0 GEADRO CC1(CNC(=O)NC[C@H](CO)Cc2ccccc2Br)CC[NH2+]CC1 ZINC000418519051 648299741 /nfs/dbraw/zinc/29/97/41/648299741.db2.gz NQFXABUQKMKBHR-CQSZACIVSA-N 1 0 398.345 2.289 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418524672 648300020 /nfs/dbraw/zinc/30/00/20/648300020.db2.gz NJXIRMYZQFAXGN-NSHDSACASA-N 1 0 376.320 2.278 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418562606 648301744 /nfs/dbraw/zinc/30/17/44/648301744.db2.gz GMOHAROLFVKTDF-NSHDSACASA-N 1 0 383.290 2.156 20 0 GEADRO C[C@@]1(CNC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000418557705 648301821 /nfs/dbraw/zinc/30/18/21/648301821.db2.gz XAETUHVCBGUJQD-MAUKXSAKSA-N 1 0 398.345 2.289 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418562971 648301850 /nfs/dbraw/zinc/30/18/50/648301850.db2.gz RTJDBDRSZQCCAB-GFCCVEGCSA-N 1 0 387.297 2.153 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418574718 648302244 /nfs/dbraw/zinc/30/22/44/648302244.db2.gz GLEMBLVYMNYDLQ-UTUOFQBUSA-N 1 0 376.284 2.302 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418575280 648302322 /nfs/dbraw/zinc/30/23/22/648302322.db2.gz NAXHBXPKBQHDDJ-CMPLNLGQSA-N 1 0 376.320 2.013 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000418584970 648303175 /nfs/dbraw/zinc/30/31/75/648303175.db2.gz XYMDDPLWMWEMDD-QRTARXTBSA-N 1 0 398.345 2.206 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000418584969 648303227 /nfs/dbraw/zinc/30/32/27/648303227.db2.gz XYMDDPLWMWEMDD-KMFMINBZSA-N 1 0 398.345 2.206 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000418596892 648304066 /nfs/dbraw/zinc/30/40/66/648304066.db2.gz HHWNPMCUUFBBOC-KBMXLJTQSA-N 1 0 398.345 2.348 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C ZINC000418603101 648304290 /nfs/dbraw/zinc/30/42/90/648304290.db2.gz ONOVQDHINIKTDO-OCCSQVGLSA-N 1 0 386.334 2.206 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418607909 648304495 /nfs/dbraw/zinc/30/44/95/648304495.db2.gz YDMLQFVDKDNOSC-YPMHNXCESA-N 1 0 390.297 2.036 20 0 GEADRO CCC1(CC)CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCS1 ZINC000418620411 648305700 /nfs/dbraw/zinc/30/57/00/648305700.db2.gz QUMBXPMRXLBKBY-ZDUSSCGKSA-N 1 0 382.496 2.140 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)C1CCCC1 ZINC000418626079 648305712 /nfs/dbraw/zinc/30/57/12/648305712.db2.gz RNELFUSQAIZHQF-CQSZACIVSA-N 1 0 383.290 2.204 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)N(CCO)Cc1ccc(Br)s1 ZINC000418648558 648306454 /nfs/dbraw/zinc/30/64/54/648306454.db2.gz VIIYTWSJOADJQA-UHFFFAOYSA-N 1 0 388.331 2.324 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000418651786 648306484 /nfs/dbraw/zinc/30/64/84/648306484.db2.gz HSSKDKGYHLNLGA-WBVHZDCISA-N 1 0 390.311 2.485 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418683458 648307181 /nfs/dbraw/zinc/30/71/81/648307181.db2.gz GIBXGIKTRDJERV-NSHDSACASA-N 1 0 376.270 2.220 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000418693798 648307299 /nfs/dbraw/zinc/30/72/99/648307299.db2.gz HELHYRIANGLYMX-NXEZZACHSA-N 1 0 379.814 2.321 20 0 GEADRO Cc1cc(CC(C)(C)NC(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1Br ZINC000418753730 648309272 /nfs/dbraw/zinc/30/92/72/648309272.db2.gz DGTPKYRSHZSGEU-HNNXBMFYSA-N 1 0 397.361 2.281 20 0 GEADRO C[C@H](CN(C)C(=O)NC[C@H]1C[NH2+]CCN1C)Oc1ccc(Cl)c(Cl)c1 ZINC000418758784 648309600 /nfs/dbraw/zinc/30/96/00/648309600.db2.gz ISIJFGZTZWSDPT-CHWSQXEVSA-N 1 0 389.327 2.306 20 0 GEADRO CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000418769221 648311311 /nfs/dbraw/zinc/31/13/11/648311311.db2.gz NAPXCBJISIJRHH-ZFWWWQNUSA-N 1 0 385.917 2.342 20 0 GEADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418774555 648311712 /nfs/dbraw/zinc/31/17/12/648311712.db2.gz ZAGYCSXXMQJGRA-HZPDHXFCSA-N 1 0 397.361 2.315 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000418781076 648312144 /nfs/dbraw/zinc/31/21/44/648312144.db2.gz CQNJXLICGLFMLW-GHMZBOCLSA-N 1 0 376.320 2.142 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1 ZINC000418789185 648312650 /nfs/dbraw/zinc/31/26/50/648312650.db2.gz LUMHFPICJQQVOF-FMKPAKJESA-N 1 0 384.318 2.027 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000418799037 648313055 /nfs/dbraw/zinc/31/30/55/648313055.db2.gz VYBDXHXWGLUBCN-PMPSAXMXSA-N 1 0 398.345 2.335 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418823826 648314659 /nfs/dbraw/zinc/31/46/59/648314659.db2.gz YNWHDFPVKPEXNG-PVXIVEMSSA-N 1 0 384.307 2.471 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)C1CCCC1 ZINC000418829065 648315110 /nfs/dbraw/zinc/31/51/10/648315110.db2.gz NCYPSUCBJSSSKW-NUEKZKHPSA-N 1 0 394.313 2.055 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418834569 648315778 /nfs/dbraw/zinc/31/57/78/648315778.db2.gz OSHRHOKHFPGXFF-SOUVJXGZSA-N 1 0 382.302 2.055 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000418848922 648317346 /nfs/dbraw/zinc/31/73/46/648317346.db2.gz LYNSYYKMLWBMBO-CHWSQXEVSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000418853639 648317719 /nfs/dbraw/zinc/31/77/19/648317719.db2.gz SNVPZFMXDMLUSI-GARJFASQSA-N 1 0 388.270 2.378 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418867581 648319531 /nfs/dbraw/zinc/31/95/31/648319531.db2.gz UWBNEYSDZJUUKR-UWVGGRQHSA-N 1 0 376.259 2.378 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000418870852 648319971 /nfs/dbraw/zinc/31/99/71/648319971.db2.gz UOXQCMJNPJATSL-GFCCVEGCSA-N 1 0 382.302 2.084 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000418870123 648320044 /nfs/dbraw/zinc/32/00/44/648320044.db2.gz TUGJTWABHIOGFB-GFCCVEGCSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000418872803 648320426 /nfs/dbraw/zinc/32/04/26/648320426.db2.gz WZCLZVFELWBKEH-YWPYICTPSA-N 1 0 382.302 2.355 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418891139 648321749 /nfs/dbraw/zinc/32/17/49/648321749.db2.gz LIELSVUXXMPKGB-SDPXSBNPSA-N 1 0 384.307 2.470 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21)[C@H]1CC[NH2+]C1 ZINC000418939141 648322804 /nfs/dbraw/zinc/32/28/04/648322804.db2.gz HDBHKVNGPJUBHS-HOCLYGCPSA-N 1 0 394.313 2.153 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418938638 648322961 /nfs/dbraw/zinc/32/29/61/648322961.db2.gz LSUPKIAGOORBQS-NHYWBVRUSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418943714 648323330 /nfs/dbraw/zinc/32/33/30/648323330.db2.gz ZENADFCBEXMUEE-HNNXBMFYSA-N 1 0 396.329 2.087 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418942018 648323375 /nfs/dbraw/zinc/32/33/75/648323375.db2.gz LHUJWADWSFOVHZ-MLGOLLRUSA-N 1 0 394.313 2.140 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418952475 648324875 /nfs/dbraw/zinc/32/48/75/648324875.db2.gz VLKGRKMJCUVJLR-CQSZACIVSA-N 1 0 382.302 2.260 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000418953353 648324920 /nfs/dbraw/zinc/32/49/20/648324920.db2.gz ZXAKFOQGOVJBBJ-BZNIZROVSA-N 1 0 394.313 2.138 20 0 GEADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418977565 648326542 /nfs/dbraw/zinc/32/65/42/648326542.db2.gz VZYDHYZUPHAFMP-LBPRGKRZSA-N 1 0 383.279 2.002 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419016098 648327088 /nfs/dbraw/zinc/32/70/88/648327088.db2.gz CNRBWCHCOYMJLA-CJNGLKHVSA-N 1 0 398.345 2.376 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419021448 648328038 /nfs/dbraw/zinc/32/80/38/648328038.db2.gz MHVJFVMXJGGAIF-QWHCGFSZSA-N 1 0 384.318 2.001 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419024541 648328364 /nfs/dbraw/zinc/32/83/64/648328364.db2.gz QMLVOHANGUBRCZ-ZDUSSCGKSA-N 1 0 384.318 2.002 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419024112 648328381 /nfs/dbraw/zinc/32/83/81/648328381.db2.gz QCJCVOMTGHPCOG-BBRMVZONSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419029054 648328651 /nfs/dbraw/zinc/32/86/51/648328651.db2.gz XODRFAGETLGVOV-XJKSGUPXSA-N 1 0 396.329 2.145 20 0 GEADRO CC[C@H](NC(=O)C(=O)NCC([NH3+])(CC)CC)c1nc(C(F)(F)F)cs1 ZINC000419040179 648329123 /nfs/dbraw/zinc/32/91/23/648329123.db2.gz IDCKLEVIUQWEOS-VIFPVBQESA-N 1 0 380.436 2.363 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419058585 648331985 /nfs/dbraw/zinc/33/19/85/648331985.db2.gz WPMDDBDYHVDISF-BPLDGKMQSA-N 1 0 396.329 2.130 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000419067055 648332090 /nfs/dbraw/zinc/33/20/90/648332090.db2.gz KQEGJSZLVRVYMJ-SWLSCSKDSA-N 1 0 382.302 2.102 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419080733 648332810 /nfs/dbraw/zinc/33/28/10/648332810.db2.gz QFDFYNYICYLLQG-HNNXBMFYSA-N 1 0 396.329 2.231 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419083337 648332879 /nfs/dbraw/zinc/33/28/79/648332879.db2.gz WKEFGQQTOLJABP-UHFFFAOYSA-N 1 0 396.329 2.231 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419093497 648333393 /nfs/dbraw/zinc/33/33/93/648333393.db2.gz IDWJGIZKOKNZJL-UHFFFAOYSA-N 1 0 392.352 2.411 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C1 ZINC000419100724 648334212 /nfs/dbraw/zinc/33/42/12/648334212.db2.gz JGUPVZGKQADWPM-LLVKDONJSA-N 1 0 380.901 2.153 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C[C@@H]1C[NH3+] ZINC000419106797 648334453 /nfs/dbraw/zinc/33/44/53/648334453.db2.gz OXSHPDJLZNSOGU-QWRGUYRKSA-N 1 0 380.901 2.009 20 0 GEADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419107410 648334493 /nfs/dbraw/zinc/33/44/93/648334493.db2.gz WUNQZARAGQJIGY-RWSFTLGLSA-N 1 0 382.291 2.450 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419105753 648334647 /nfs/dbraw/zinc/33/46/47/648334647.db2.gz CLKMFZDDXDOJGV-LBPRGKRZSA-N 1 0 390.347 2.001 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419125537 648335412 /nfs/dbraw/zinc/33/54/12/648335412.db2.gz JWZWDIQSXKLBAK-HZPDHXFCSA-N 1 0 377.897 2.427 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccc(Br)cc1 ZINC000419130997 648336254 /nfs/dbraw/zinc/33/62/54/648336254.db2.gz BTQZPPYGHPCOMH-LBPRGKRZSA-N 1 0 382.302 2.404 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000419151120 648337208 /nfs/dbraw/zinc/33/72/08/648337208.db2.gz NBWKEBXSKPGLHT-QWHCGFSZSA-N 1 0 382.302 2.084 20 0 GEADRO O=C(NCc1ccccc1Br)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419153840 648337613 /nfs/dbraw/zinc/33/76/13/648337613.db2.gz WTEGBRDGMURYEG-MRXNPFEDSA-N 1 0 394.313 2.056 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419154036 648337697 /nfs/dbraw/zinc/33/76/97/648337697.db2.gz QROMVHIWLDVLJC-DVOMOZLQSA-N 1 0 384.307 2.156 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419161622 648338469 /nfs/dbraw/zinc/33/84/69/648338469.db2.gz DQMKNHSYJKJRKI-HNNXBMFYSA-N 1 0 384.318 2.206 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419168967 648338746 /nfs/dbraw/zinc/33/87/46/648338746.db2.gz TVILSYDVTOAASC-IUODEOHRSA-N 1 0 382.302 2.007 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1ccccc1Br)C1CCCCC1 ZINC000419211871 648341883 /nfs/dbraw/zinc/34/18/83/648341883.db2.gz YILHKZCOIGHFOO-INIZCTEOSA-N 1 0 396.329 2.132 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419283499 648344335 /nfs/dbraw/zinc/34/43/35/648344335.db2.gz NFZPUHANEXJGTA-KPZWWZAWSA-N 1 0 384.307 2.253 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419284482 648344533 /nfs/dbraw/zinc/34/45/33/648344533.db2.gz ONIBDQPGFKTJQE-MRVWCRGKSA-N 1 0 384.307 2.109 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000419326421 648347021 /nfs/dbraw/zinc/34/70/21/648347021.db2.gz CEXZCBJIYZLEGQ-CHWSQXEVSA-N 1 0 380.539 2.197 20 0 GEADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@H](C)CN1CCO ZINC000419330892 648347749 /nfs/dbraw/zinc/34/77/49/648347749.db2.gz RCPTXAACJNJVIK-ZIAGYGMSSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@@H]1CN(Cc2cc3c(cc2Br)OCCCO3)[C@@H](C)C[N@@H+]1CCO ZINC000419347130 648349350 /nfs/dbraw/zinc/34/93/50/648349350.db2.gz WINYDINSICHFJX-KGLIPLIRSA-N 1 0 399.329 2.497 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000419519845 648355504 /nfs/dbraw/zinc/35/55/04/648355504.db2.gz GRHULSGACUNTBM-OAHLLOKOSA-N 1 0 396.329 2.101 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC000419519849 648355769 /nfs/dbraw/zinc/35/57/69/648355769.db2.gz GRZRAKUFOHRGHH-OAHLLOKOSA-N 1 0 396.329 2.101 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000419521576 648356131 /nfs/dbraw/zinc/35/61/31/648356131.db2.gz KKCCQQKWNFILME-WFASDCNBSA-N 1 0 396.329 2.087 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419582330 648356722 /nfs/dbraw/zinc/35/67/22/648356722.db2.gz FLPCIJIJSDFKDU-XZJROXQQSA-N 1 0 394.313 2.281 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H]1CCc2c1cccc2Br)[C@H]1CC[NH2+]C1 ZINC000419584066 648356734 /nfs/dbraw/zinc/35/67/34/648356734.db2.gz IBQYMQFCKHDXCQ-BLLLJJGKSA-N 1 0 394.313 2.153 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419587752 648357046 /nfs/dbraw/zinc/35/70/46/648357046.db2.gz NROXSTCXULWJLV-WBMJQRKESA-N 1 0 394.313 2.011 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000419593957 648357294 /nfs/dbraw/zinc/35/72/94/648357294.db2.gz YPWRFGJNCGEBFY-MQIPJXDCSA-N 1 0 394.313 2.138 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419594290 648357494 /nfs/dbraw/zinc/35/74/94/648357494.db2.gz YYWPGDHHQPTNRE-HOTGVXAUSA-N 1 0 396.329 2.384 20 0 GEADRO CN(CC[NH3+])C(=O)C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000419620872 648358387 /nfs/dbraw/zinc/35/83/87/648358387.db2.gz BTLCKULJZNTPMI-ZDUSSCGKSA-N 1 0 377.794 2.343 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1cccc(Br)c1)C1CCCCC1 ZINC000419650390 648360034 /nfs/dbraw/zinc/36/00/34/648360034.db2.gz VCRCSCJGALEXEB-OAHLLOKOSA-N 1 0 382.302 2.089 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)s1 ZINC000419674476 648362630 /nfs/dbraw/zinc/36/26/30/648362630.db2.gz ACOQERVIHDTQDH-VWYCJHECSA-N 1 0 388.331 2.131 20 0 GEADRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)O1 ZINC000419678958 648363080 /nfs/dbraw/zinc/36/30/80/648363080.db2.gz FJHZFPVGIYVCAW-NSHDSACASA-N 1 0 377.304 2.144 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1Br ZINC000419679431 648363443 /nfs/dbraw/zinc/36/34/43/648363443.db2.gz FSENUMXBUCMHLN-TZMCWYRMSA-N 1 0 389.315 2.144 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H]2CCCCO2)cc1Br ZINC000419688530 648364937 /nfs/dbraw/zinc/36/49/37/648364937.db2.gz GQVPTJKYKNPPSJ-GFCCVEGCSA-N 1 0 377.304 2.145 20 0 GEADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2ccc(Br)s2)cc1 ZINC000419694629 648366125 /nfs/dbraw/zinc/36/61/25/648366125.db2.gz QEJWIKFUOHTTMK-JTQLQIEISA-N 1 0 396.310 2.463 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000419704262 648367337 /nfs/dbraw/zinc/36/73/37/648367337.db2.gz HCQQLRKANQDERV-GARJFASQSA-N 1 0 388.331 2.274 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000419704264 648367463 /nfs/dbraw/zinc/36/74/63/648367463.db2.gz HCQQLRKANQDERV-HBNTYKKESA-N 1 0 388.331 2.274 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000419705340 648367693 /nfs/dbraw/zinc/36/76/93/648367693.db2.gz IPSXWLMDELWFAJ-NXEZZACHSA-N 1 0 376.320 2.322 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(Br)s1 ZINC000419705921 648368249 /nfs/dbraw/zinc/36/82/49/648368249.db2.gz JJMOVJKHQHKKIH-WDEREUQCSA-N 1 0 388.331 2.275 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419714513 648370082 /nfs/dbraw/zinc/37/00/82/648370082.db2.gz SYCGGVMIYZFLGA-GARJFASQSA-N 1 0 388.331 2.416 20 0 GEADRO CCC[C@@]1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCOC1 ZINC000419716107 648370435 /nfs/dbraw/zinc/37/04/35/648370435.db2.gz QDHNDQRPQHBGLT-CQSZACIVSA-N 1 0 377.304 2.145 20 0 GEADRO CC1(C)C[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000419731857 648371999 /nfs/dbraw/zinc/37/19/99/648371999.db2.gz PDFQCRNWWSQMQD-GFCCVEGCSA-N 1 0 391.331 2.391 20 0 GEADRO CC(C)(C)CC[C@H](CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419732731 648372527 /nfs/dbraw/zinc/37/25/27/648372527.db2.gz SNFOSOLRAZMGQH-GFCCVEGCSA-N 1 0 393.347 2.373 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419737873 648373416 /nfs/dbraw/zinc/37/34/16/648373416.db2.gz VIXJZLXUDWIFFF-UHFFFAOYSA-N 1 0 390.347 2.061 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419742267 648373841 /nfs/dbraw/zinc/37/38/41/648373841.db2.gz DPMPVECEWVBDGU-MRXNPFEDSA-N 1 0 396.329 2.002 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419742265 648373855 /nfs/dbraw/zinc/37/38/55/648373855.db2.gz DPMPVECEWVBDGU-INIZCTEOSA-N 1 0 396.329 2.002 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000419773821 648377407 /nfs/dbraw/zinc/37/74/07/648377407.db2.gz NQCKVJQYNANWCT-UHFFFAOYSA-N 1 0 396.329 2.232 20 0 GEADRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000419801174 648379531 /nfs/dbraw/zinc/37/95/31/648379531.db2.gz JMZXCRWHIXJSSD-ZUZCIYMTSA-N 1 0 391.331 2.390 20 0 GEADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000419815917 648381486 /nfs/dbraw/zinc/38/14/86/648381486.db2.gz JZAKYUURHVGVRO-ZIAGYGMSSA-N 1 0 376.291 2.468 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419824240 648382244 /nfs/dbraw/zinc/38/22/44/648382244.db2.gz PKBIXGGDYGECFL-BLLLJJGKSA-N 1 0 396.329 2.130 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Br)cc1 ZINC000419822233 648382257 /nfs/dbraw/zinc/38/22/57/648382257.db2.gz PCKQOMYUYOAXMX-SFHVURJKSA-N 1 0 396.329 2.040 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[NH2+]1 ZINC000419822366 648382289 /nfs/dbraw/zinc/38/22/89/648382289.db2.gz PLVCPXWMBOKDRY-IUODEOHRSA-N 1 0 396.329 2.100 20 0 GEADRO CCOc1c(Br)cc(C[NH2+][C@H](CO)[C@@H](C)O)cc1Br ZINC000419823504 648382295 /nfs/dbraw/zinc/38/22/95/648382295.db2.gz YDJSIYDNRKAGNB-PRHODGIISA-N 1 0 397.107 2.442 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419825529 648382676 /nfs/dbraw/zinc/38/26/76/648382676.db2.gz RKVNDYCAXBCPCP-HNNXBMFYSA-N 1 0 398.345 2.333 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419828536 648383267 /nfs/dbraw/zinc/38/32/67/648383267.db2.gz SABZTWMOLLWJPM-GFCCVEGCSA-N 1 0 384.318 2.130 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000419833670 648383614 /nfs/dbraw/zinc/38/36/14/648383614.db2.gz ZCLQPEYTHQEUCJ-LSDHHAIUSA-N 1 0 396.329 2.229 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000419833668 648383767 /nfs/dbraw/zinc/38/37/67/648383767.db2.gz ZCLQPEYTHQEUCJ-HUUCEWRRSA-N 1 0 396.329 2.229 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000419835486 648384115 /nfs/dbraw/zinc/38/41/15/648384115.db2.gz VZJZAXYWADPUII-AWEZNQCLSA-N 1 0 386.265 2.107 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000419839057 648384429 /nfs/dbraw/zinc/38/44/29/648384429.db2.gz AMCIQAVTWWCKOH-MRXNPFEDSA-N 1 0 381.929 2.215 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H]2CCC[NH2+]C2)ccc1Br ZINC000419843266 648384900 /nfs/dbraw/zinc/38/49/00/648384900.db2.gz MKBWOOSDVCEYRX-GOEBONIOSA-N 1 0 394.313 2.289 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846035 648385020 /nfs/dbraw/zinc/38/50/20/648385020.db2.gz QUCASUHTPSBYTB-OAHLLOKOSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)NC[C@H]([NH3+])C1CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000419853715 648385234 /nfs/dbraw/zinc/38/52/34/648385234.db2.gz ATKPJVLVACXXBO-BMIGLBTASA-N 1 0 388.295 2.073 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419895293 648386741 /nfs/dbraw/zinc/38/67/41/648386741.db2.gz RYPRTMZJQMVRHP-MRXNPFEDSA-N 1 0 394.313 2.023 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000419898824 648387421 /nfs/dbraw/zinc/38/74/21/648387421.db2.gz PVHNVDSAAHQKRW-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000419911207 648388159 /nfs/dbraw/zinc/38/81/59/648388159.db2.gz SCOKBCCYCROZIU-LBPRGKRZSA-N 1 0 382.302 2.011 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419931648 648389639 /nfs/dbraw/zinc/38/96/39/648389639.db2.gz DLHWTJQIQVUWPY-HZPDHXFCSA-N 1 0 394.313 2.371 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000419933065 648389967 /nfs/dbraw/zinc/38/99/67/648389967.db2.gz DWMSZCHKJSOXAE-SNVBAGLBSA-N 1 0 390.709 2.033 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419957336 648391551 /nfs/dbraw/zinc/39/15/51/648391551.db2.gz BGUCYCDGZRNQLX-INIZCTEOSA-N 1 0 396.329 2.431 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)C1CC1 ZINC000420024442 648396899 /nfs/dbraw/zinc/39/68/99/648396899.db2.gz AIWNBUOYTVPCRY-CABCVRRESA-N 1 0 398.276 2.105 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420026367 648397105 /nfs/dbraw/zinc/39/71/05/648397105.db2.gz BSYOZSNODRKHJF-UKRRQHHQSA-N 1 0 382.302 2.041 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CSCc1cc(-c2cccs2)on1 ZINC000420043239 648397852 /nfs/dbraw/zinc/39/78/52/648397852.db2.gz ONOOLWLWOWRZQY-QGZVFWFLSA-N 1 0 383.539 2.455 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000420065377 648399158 /nfs/dbraw/zinc/39/91/58/648399158.db2.gz PPERSRPYNXSEDH-ZUZCIYMTSA-N 1 0 388.295 2.073 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420067982 648399244 /nfs/dbraw/zinc/39/92/44/648399244.db2.gz SNHWJQALDJTPIH-GWCFXTLKSA-N 1 0 388.331 2.103 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NCC(C)(C)[NH3+])ccc1Br ZINC000420072279 648399584 /nfs/dbraw/zinc/39/95/84/648399584.db2.gz DXUAGSXKFZBVTQ-CQSZACIVSA-N 1 0 382.302 2.275 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000420080763 648400245 /nfs/dbraw/zinc/40/02/45/648400245.db2.gz LNVXBJDADKRCOY-CQSZACIVSA-N 1 0 397.317 2.141 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)NCC1([NH3+])CCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000420089583 648401134 /nfs/dbraw/zinc/40/11/34/648401134.db2.gz JYYNYPYLTLSGAU-LLVKDONJSA-N 1 0 388.295 2.217 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC[NH2+]1 ZINC000420098543 648401651 /nfs/dbraw/zinc/40/16/51/648401651.db2.gz ASSHVDBXFMTDSF-DOMZBBRYSA-N 1 0 394.313 2.197 20 0 GEADRO CC1(CNC(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CC[NH2+]CC1 ZINC000420095934 648401666 /nfs/dbraw/zinc/40/16/66/648401666.db2.gz ZKBPWPUOONDVIO-UHFFFAOYSA-N 1 0 384.307 2.384 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420108391 648401906 /nfs/dbraw/zinc/40/19/06/648401906.db2.gz XFKRKLFFYBWPQA-BLLLJJGKSA-N 1 0 394.313 2.054 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2[C@H]1C ZINC000420105543 648401975 /nfs/dbraw/zinc/40/19/75/648401975.db2.gz SQVHDBUMVGIPDN-XHBSWPGZSA-N 1 0 394.313 2.009 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000420103281 648401994 /nfs/dbraw/zinc/40/19/94/648401994.db2.gz PDVKYUNUXYIJKX-BBRMVZONSA-N 1 0 377.535 2.453 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000420112290 648402336 /nfs/dbraw/zinc/40/23/36/648402336.db2.gz HIWWHYUQJNJKLV-UHOFOFEASA-N 1 0 394.313 2.227 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420125096 648403767 /nfs/dbraw/zinc/40/37/67/648403767.db2.gz NHQGRMLELNOQRD-XJKSGUPXSA-N 1 0 396.329 2.300 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000420132215 648404221 /nfs/dbraw/zinc/40/42/21/648404221.db2.gz APMHQFQRRWCKDN-LBPRGKRZSA-N 1 0 398.326 2.210 20 0 GEADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420135326 648404333 /nfs/dbraw/zinc/40/43/33/648404333.db2.gz GUXCAJWZIFOZSR-NSHDSACASA-N 1 0 382.291 2.475 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420135690 648405037 /nfs/dbraw/zinc/40/50/37/648405037.db2.gz HPHNVNAHGGNWHX-UHFFFAOYSA-N 1 0 394.313 2.222 20 0 GEADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420145023 648405370 /nfs/dbraw/zinc/40/53/70/648405370.db2.gz MYHWSJKAJKLVAQ-WBMJQRKESA-N 1 0 394.313 2.197 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000420140914 648405566 /nfs/dbraw/zinc/40/55/66/648405566.db2.gz HJFWAJKASOMKRB-SNVBAGLBSA-N 1 0 376.320 2.103 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420197232 648408890 /nfs/dbraw/zinc/40/88/90/648408890.db2.gz LMDCDJXNHDMXKP-GXTWGEPZSA-N 1 0 382.302 2.041 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420205519 648409300 /nfs/dbraw/zinc/40/93/00/648409300.db2.gz PIZLIJPJVPLDAI-XJKSGUPXSA-N 1 0 396.329 2.430 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420208877 648409390 /nfs/dbraw/zinc/40/93/90/648409390.db2.gz MEOASAJJYZJKFM-HZSPNIEDSA-N 1 0 384.307 2.456 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000420360425 648414008 /nfs/dbraw/zinc/41/40/08/648414008.db2.gz HCFMXENFDQIVOA-ZETOZRRWSA-N 1 0 387.265 2.206 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420406240 648415778 /nfs/dbraw/zinc/41/57/78/648415778.db2.gz QWOQJTDFCXEFHQ-LRDDRELGSA-N 1 0 399.276 2.446 20 0 GEADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)s1 ZINC000420447078 648417172 /nfs/dbraw/zinc/41/71/72/648417172.db2.gz IYQZKPWDIYCBRU-CYBMUJFWSA-N 1 0 389.587 2.105 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1I ZINC000420447047 648417176 /nfs/dbraw/zinc/41/71/76/648417176.db2.gz ITIQBDJLBFVLTQ-GFCCVEGCSA-N 1 0 396.294 2.251 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420450814 648417524 /nfs/dbraw/zinc/41/75/24/648417524.db2.gz HMPQVYDAUGBQTN-MNOVXSKESA-N 1 0 377.304 2.172 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000420467819 648418614 /nfs/dbraw/zinc/41/86/14/648418614.db2.gz STPKYKSRXPMOON-KOLCDFICSA-N 1 0 386.848 2.015 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H]3CC[C@H](C[NH3+])C3)ccc2s1 ZINC000420465736 648418765 /nfs/dbraw/zinc/41/87/65/648418765.db2.gz ZDSVQMZOPHOKTD-WCQYABFASA-N 1 0 382.507 2.484 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000420476057 648420742 /nfs/dbraw/zinc/42/07/42/648420742.db2.gz HTJUGILGKHLYDV-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(F)cc1Br ZINC000420477677 648420807 /nfs/dbraw/zinc/42/08/07/648420807.db2.gz UXGOQUTUBHUMSV-AWEZNQCLSA-N 1 0 377.279 2.413 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC12CCSCC2)c1cccs1 ZINC000420756387 648451403 /nfs/dbraw/zinc/45/14/03/648451403.db2.gz DUWUBUGCSGOBJV-KGLIPLIRSA-N 1 0 381.567 2.117 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000420758943 648452418 /nfs/dbraw/zinc/45/24/18/648452418.db2.gz CZMWKFBLOQMEGQ-NSHDSACASA-N 1 0 377.304 2.172 20 0 GEADRO CNC(=O)[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420970144 648459728 /nfs/dbraw/zinc/45/97/28/648459728.db2.gz GDJFDLVZOKHYHG-ZDUSSCGKSA-N 1 0 375.270 2.474 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)N1CCc2c1cccc2Br)C(C)C ZINC000421215588 648472136 /nfs/dbraw/zinc/47/21/36/648472136.db2.gz OUDSIJLPEQVSST-UHFFFAOYSA-N 1 0 382.302 2.185 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Br)cc2)C1 ZINC000421231184 648475502 /nfs/dbraw/zinc/47/55/02/648475502.db2.gz WKOKMLPSLLFGQH-OAHLLOKOSA-N 1 0 382.302 2.006 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000421371068 648488811 /nfs/dbraw/zinc/48/88/11/648488811.db2.gz ZXKIAKAPHDCJDH-MELADBBJSA-N 1 0 399.329 2.413 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000421680832 648504217 /nfs/dbraw/zinc/50/42/17/648504217.db2.gz UHUHKXPCMBDXRL-UHFFFAOYSA-N 1 0 396.289 2.285 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000421701093 648505197 /nfs/dbraw/zinc/50/51/97/648505197.db2.gz HAGKIGBXRXWIKX-HOTGVXAUSA-N 1 0 381.929 2.408 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000421708001 648505555 /nfs/dbraw/zinc/50/55/55/648505555.db2.gz YVBNUAQGSWFWRS-HOTGVXAUSA-N 1 0 394.313 2.355 20 0 GEADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(S(C)(=O)=O)s2)c1 ZINC000421765022 648507685 /nfs/dbraw/zinc/50/76/85/648507685.db2.gz XQCOMFHZZBXHLO-UHFFFAOYSA-N 1 0 382.507 2.022 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422022889 648519041 /nfs/dbraw/zinc/51/90/41/648519041.db2.gz OKTDZUFPAMZHDL-SWLSCSKDSA-N 1 0 382.302 2.120 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000422069179 648519428 /nfs/dbraw/zinc/51/94/28/648519428.db2.gz DHSVLFDVWSMRNK-HUUCEWRRSA-N 1 0 394.313 2.117 20 0 GEADRO Cc1cc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc(C)n1 ZINC000422086520 648520457 /nfs/dbraw/zinc/52/04/57/648520457.db2.gz OURKBHVQKJGTKV-UHFFFAOYSA-N 1 0 384.299 2.398 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422097946 648521971 /nfs/dbraw/zinc/52/19/71/648521971.db2.gz JLTGUIQTRZZXGF-LBPRGKRZSA-N 1 0 388.331 2.022 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422287551 648534479 /nfs/dbraw/zinc/53/44/79/648534479.db2.gz ZBIZTPCQVHOTLI-HNNXBMFYSA-N 1 0 396.329 2.235 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@H]1CS[C@@H](C)C1 ZINC000422510856 648553666 /nfs/dbraw/zinc/55/36/66/648553666.db2.gz RYOQIGSDOAODFS-QWHCGFSZSA-N 1 0 383.480 2.119 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000422514460 648554541 /nfs/dbraw/zinc/55/45/41/648554541.db2.gz HGHPELKUIVBVMP-BBRMVZONSA-N 1 0 396.329 2.172 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])C2=O)ccc1Br ZINC000422618603 648563128 /nfs/dbraw/zinc/56/31/28/648563128.db2.gz LYYZLPXIFDIMGZ-CQSZACIVSA-N 1 0 397.317 2.289 20 0 GEADRO Brc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000422702820 648573812 /nfs/dbraw/zinc/57/38/12/648573812.db2.gz FZEXUYPMIMMYNX-SZMVWBNQSA-N 1 0 380.330 2.384 20 0 GEADRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422768566 648575274 /nfs/dbraw/zinc/57/52/74/648575274.db2.gz UTHBUMGYYQYPAY-KBXCAEBGSA-N 1 0 381.929 2.166 20 0 GEADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422908521 648576836 /nfs/dbraw/zinc/57/68/36/648576836.db2.gz MUDPMNVSSLCABQ-GOEBONIOSA-N 1 0 398.345 2.154 20 0 GEADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC000422938978 648578158 /nfs/dbraw/zinc/57/81/58/648578158.db2.gz FIONTYLNLKTSAB-QGZVFWFLSA-N 1 0 388.295 2.407 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccc(Br)s1 ZINC000422965660 648579501 /nfs/dbraw/zinc/57/95/01/648579501.db2.gz PEPPWFYZCLBMBP-SNVBAGLBSA-N 1 0 386.315 2.042 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000422989830 648579848 /nfs/dbraw/zinc/57/98/48/648579848.db2.gz MBIDIGAVYURAHE-UHFFFAOYSA-N 1 0 380.290 2.442 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423096868 648580264 /nfs/dbraw/zinc/58/02/64/648580264.db2.gz IIBXHQPVYWXHET-SFHVURJKSA-N 1 0 394.313 2.152 20 0 GEADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000423109744 648580978 /nfs/dbraw/zinc/58/09/78/648580978.db2.gz SZNJMWUMJHMJSR-XJKSGUPXSA-N 1 0 396.329 2.353 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C(C)C)C1 ZINC000423109238 648581035 /nfs/dbraw/zinc/58/10/35/648581035.db2.gz UQBPITOWENSZIV-HNNXBMFYSA-N 1 0 396.329 2.254 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423110266 648581375 /nfs/dbraw/zinc/58/13/75/648581375.db2.gz VJGWDQBJXAJPQP-ZFWWWQNUSA-N 1 0 396.329 2.382 20 0 GEADRO [NH3+][C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000423112693 648581448 /nfs/dbraw/zinc/58/14/48/648581448.db2.gz JZVNCRGCTKPAGZ-HZPDHXFCSA-N 1 0 383.876 2.492 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423114666 648582108 /nfs/dbraw/zinc/58/21/08/648582108.db2.gz ZUBGXBQWIPVQKC-DZGCQCFKSA-N 1 0 396.329 2.382 20 0 GEADRO C[C@H](C[C@@H]1COCCN1)[NH2+]CCOc1ccc(I)cc1 ZINC000423117104 648582521 /nfs/dbraw/zinc/58/25/21/648582521.db2.gz SZNQRKIBCOHCHB-TZMCWYRMSA-N 1 0 390.265 2.027 20 0 GEADRO C[C@H]1CC[NH2+][C@H](C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000423120632 648582534 /nfs/dbraw/zinc/58/25/34/648582534.db2.gz HKRDHQFROQYAQR-WFASDCNBSA-N 1 0 382.302 2.073 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c(F)cc1F ZINC000423122477 648582918 /nfs/dbraw/zinc/58/29/18/648582918.db2.gz CJYIKPFYAXCZLC-BONVTDFDSA-N 1 0 375.441 2.443 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000423125817 648583347 /nfs/dbraw/zinc/58/33/47/648583347.db2.gz AJIAGYGLOYJETL-JTQLQIEISA-N 1 0 388.331 2.055 20 0 GEADRO CC(C)[C@@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H](C)[NH3+] ZINC000423136341 648583893 /nfs/dbraw/zinc/58/38/93/648583893.db2.gz PDOQSUSVLSHJLW-IINYFYTJSA-N 1 0 380.290 2.470 20 0 GEADRO COC[C@]1(C(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]C1 ZINC000423139983 648584561 /nfs/dbraw/zinc/58/45/61/648584561.db2.gz LTYDHMPBEBRFQM-HNNXBMFYSA-N 1 0 393.228 2.293 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000423138236 648584582 /nfs/dbraw/zinc/58/45/82/648584582.db2.gz SNEKEUJUEFWJQF-MNOVXSKESA-N 1 0 388.331 2.055 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000423163992 648585675 /nfs/dbraw/zinc/58/56/75/648585675.db2.gz RZMPBJZCTNAOBL-JVPBZIDWSA-N 1 0 397.357 2.265 20 0 GEADRO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1nn(C)cc1I ZINC000423164912 648585751 /nfs/dbraw/zinc/58/57/51/648585751.db2.gz TYZUWHWNZFEFHT-VXGBXAGGSA-N 1 0 376.286 2.425 20 0 GEADRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1nn(C)cc1I ZINC000423165355 648586003 /nfs/dbraw/zinc/58/60/03/648586003.db2.gz UKXFJPZZQNEOJL-FZMZJTMJSA-N 1 0 384.265 2.073 20 0 GEADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423171775 648586653 /nfs/dbraw/zinc/58/66/53/648586653.db2.gz PXUXXXMYIVIMJL-KRWDZBQOSA-N 1 0 382.507 2.382 20 0 GEADRO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423221876 648587893 /nfs/dbraw/zinc/58/78/93/648587893.db2.gz YNLMIBHGQSTIOQ-GMXVVIOVSA-N 1 0 390.347 2.135 20 0 GEADRO COC[C@]1(C(=O)Nc2nccn2Cc2ccc(Br)cc2)CC[NH2+]C1 ZINC000423288817 648589669 /nfs/dbraw/zinc/58/96/69/648589669.db2.gz VFUJPOSCLSIPQF-KRWDZBQOSA-N 1 0 393.285 2.259 20 0 GEADRO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)cc1F ZINC000423376640 648590218 /nfs/dbraw/zinc/59/02/18/648590218.db2.gz DWPSINCTFUTHAI-BXKDBHETSA-N 1 0 399.230 2.470 20 0 GEADRO COC[C@@]1(CN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCC[NH2+]1 ZINC000423419942 648590559 /nfs/dbraw/zinc/59/05/59/648590559.db2.gz WSAMLTDAXUZQIA-BONVTDFDSA-N 1 0 396.340 2.060 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000423465171 648591506 /nfs/dbraw/zinc/59/15/06/648591506.db2.gz CDPGPXQXPHIRPZ-CYBMUJFWSA-N 1 0 381.929 2.243 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000423488638 648592703 /nfs/dbraw/zinc/59/27/03/648592703.db2.gz WIXBFVWAVIZXPK-AVGNSLFASA-N 1 0 394.313 2.091 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000423517284 648594103 /nfs/dbraw/zinc/59/41/03/648594103.db2.gz XRZPKWBSZLTLQP-OAHLLOKOSA-N 1 0 398.276 2.201 20 0 GEADRO CN1CCNC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423531187 648594524 /nfs/dbraw/zinc/59/45/24/648594524.db2.gz ZPKBSSJAJXKHOA-QZTJIDSGSA-N 1 0 382.346 2.410 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000423545478 648594631 /nfs/dbraw/zinc/59/46/31/648594631.db2.gz CQUUBKKLJKIPQX-UHFFFAOYSA-N 1 0 390.709 2.129 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423554221 648595043 /nfs/dbraw/zinc/59/50/43/648595043.db2.gz DVTCKZBGVNJVGB-UHFFFAOYSA-N 1 0 396.285 2.141 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423552069 648595067 /nfs/dbraw/zinc/59/50/67/648595067.db2.gz CCDAFDKZSGCBKF-XJKCOSOUSA-N 1 0 394.313 2.179 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423552065 648595164 /nfs/dbraw/zinc/59/51/64/648595164.db2.gz CCDAFDKZSGCBKF-IOASZLSFSA-N 1 0 394.313 2.179 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000423563723 648595523 /nfs/dbraw/zinc/59/55/23/648595523.db2.gz ODQJJOQJFSGSRT-JMSVASOKSA-N 1 0 382.302 2.164 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423563683 648595589 /nfs/dbraw/zinc/59/55/89/648595589.db2.gz NWXSEVYJBMUHRC-MELADBBJSA-N 1 0 394.313 2.321 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000423566210 648596054 /nfs/dbraw/zinc/59/60/54/648596054.db2.gz JUXTYWNGLFVVLW-LLVKDONJSA-N 1 0 386.315 2.124 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000423587864 648596672 /nfs/dbraw/zinc/59/66/72/648596672.db2.gz CJNVHJBZUOUZPF-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423592268 648597201 /nfs/dbraw/zinc/59/72/01/648597201.db2.gz ICBAQWYTDWJYPT-KGLIPLIRSA-N 1 0 396.329 2.383 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CC[NH2+]C1 ZINC000423660057 648598504 /nfs/dbraw/zinc/59/85/04/648598504.db2.gz JJEPFLFUJCNPGW-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)CC1 ZINC000423659655 648598556 /nfs/dbraw/zinc/59/85/56/648598556.db2.gz FISHTKQLNZSYBM-CYBMUJFWSA-N 1 0 396.329 2.036 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000423688733 648599403 /nfs/dbraw/zinc/59/94/03/648599403.db2.gz XLTHNAVDOBIMTC-JQWIXIFHSA-N 1 0 388.331 2.197 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)[C@@H]1C[NH3+] ZINC000423739139 648601342 /nfs/dbraw/zinc/60/13/42/648601342.db2.gz RBIARDHKSDKLIT-ZWNOBZJWSA-N 1 0 388.331 2.055 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000423743608 648601364 /nfs/dbraw/zinc/60/13/64/648601364.db2.gz VMMBJTAHOUWWAD-BBRMVZONSA-N 1 0 396.329 2.036 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000423753005 648601772 /nfs/dbraw/zinc/60/17/72/648601772.db2.gz XSUMAOOPTNQNGG-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000423748457 648601800 /nfs/dbraw/zinc/60/18/00/648601800.db2.gz RPQOWBDDYAOANN-IONNQARKSA-N 1 0 377.080 2.464 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423823905 648601967 /nfs/dbraw/zinc/60/19/67/648601967.db2.gz KCXACRCASPMOKW-UHFFFAOYSA-N 1 0 382.262 2.349 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)COC1CC[NH2+]CC1 ZINC000423841032 648602398 /nfs/dbraw/zinc/60/23/98/648602398.db2.gz JBRGTZWLXBZICV-UHFFFAOYSA-N 1 0 385.302 2.275 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CCCC1 ZINC000423937403 648603571 /nfs/dbraw/zinc/60/35/71/648603571.db2.gz GQRCNPNPPBDEIY-UKRRQHHQSA-N 1 0 394.313 2.436 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423951775 648604672 /nfs/dbraw/zinc/60/46/72/648604672.db2.gz ZNBWCIQJCDYNHE-ABAIWWIYSA-N 1 0 382.302 2.201 20 0 GEADRO O=C(Cc1ccc(Br)cc1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423953569 648605253 /nfs/dbraw/zinc/60/52/53/648605253.db2.gz RAPANVJLUMBATP-UHFFFAOYSA-N 1 0 380.330 2.324 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423972225 648606368 /nfs/dbraw/zinc/60/63/68/648606368.db2.gz PDGFKHGCCDQKHU-DZGCQCFKSA-N 1 0 381.523 2.011 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423972389 648606379 /nfs/dbraw/zinc/60/63/79/648606379.db2.gz PDGFKHGCCDQKHU-ZFWWWQNUSA-N 1 0 381.523 2.011 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000423984777 648606897 /nfs/dbraw/zinc/60/68/97/648606897.db2.gz CDWCQUVPYZXCSU-HNNXBMFYSA-N 1 0 395.253 2.339 20 0 GEADRO O=C(c1cc(I)c[nH]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423994561 648607510 /nfs/dbraw/zinc/60/75/10/648607510.db2.gz IQQZFHRSCZKTNR-CQSZACIVSA-N 1 0 381.217 2.406 20 0 GEADRO C[C@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@H]1C[NH3+] ZINC000424000758 648608618 /nfs/dbraw/zinc/60/86/18/648608618.db2.gz OORVSFJJOSDCQI-WCQYABFASA-N 1 0 383.286 2.206 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000424004800 648609044 /nfs/dbraw/zinc/60/90/44/648609044.db2.gz RALABIBFHIKNBP-OAHLLOKOSA-N 1 0 392.301 2.214 20 0 GEADRO C[C@H]1CCN(C(=O)COc2cccc(I)c2)C[C@H]1C[NH3+] ZINC000424006311 648609156 /nfs/dbraw/zinc/60/91/56/648609156.db2.gz UKBMVCVEORYTQA-NWDGAFQWSA-N 1 0 388.249 2.113 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1C[NH3+] ZINC000424003558 648609187 /nfs/dbraw/zinc/60/91/87/648609187.db2.gz DQLMFIBZJOTOEX-WWGRRREGSA-N 1 0 394.313 2.245 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424013684 648609874 /nfs/dbraw/zinc/60/98/74/648609874.db2.gz KYICNHXIINJXQV-MBNYWOFBSA-N 1 0 382.302 2.011 20 0 GEADRO O=C(COc1cccc(I)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424023932 648610184 /nfs/dbraw/zinc/61/01/84/648610184.db2.gz GYOBOBDNVMHXIC-HNNXBMFYSA-N 1 0 386.233 2.025 20 0 GEADRO CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])c2ccc(Cl)cc2)c1 ZINC000424126897 648614805 /nfs/dbraw/zinc/61/48/05/648614805.db2.gz PFTZJJDLHJKXEI-IKGGRYGDSA-N 1 0 378.881 2.296 20 0 GEADRO CN1CC[C@@H](C[NH2+]Cc2ccc(F)cc2I)CC1=O ZINC000424194959 648615821 /nfs/dbraw/zinc/61/58/21/648615821.db2.gz YFJPHKAMJRMVJO-SNVBAGLBSA-N 1 0 376.213 2.388 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000424336170 648623293 /nfs/dbraw/zinc/62/32/93/648623293.db2.gz YNJZJLJXOBCJHX-ZJUUUORDSA-N 1 0 394.324 2.160 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424365015 648623855 /nfs/dbraw/zinc/62/38/55/648623855.db2.gz USAXFRLSBPQKRN-ZIAGYGMSSA-N 1 0 376.906 2.304 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424389591 648626056 /nfs/dbraw/zinc/62/60/56/648626056.db2.gz IJHWKFLSMQZZHN-GFCCVEGCSA-N 1 0 386.901 2.279 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Cl ZINC000424396823 648627159 /nfs/dbraw/zinc/62/71/59/648627159.db2.gz YEKKZUTUQGKEIF-GFCCVEGCSA-N 1 0 386.901 2.279 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000424469784 648629315 /nfs/dbraw/zinc/62/93/15/648629315.db2.gz POEYZSIUUDGUDY-HKCMKHECSA-N 1 0 398.301 2.083 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000424663131 648637083 /nfs/dbraw/zinc/63/70/83/648637083.db2.gz YXHYFTZBBMNRQC-ZDUSSCGKSA-N 1 0 384.318 2.132 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc21)NCCC[NH+]1CCC(O)CC1 ZINC000424684970 648639027 /nfs/dbraw/zinc/63/90/27/648639027.db2.gz SEWGUBXRKXBCRK-UHFFFAOYSA-N 1 0 396.285 2.096 20 0 GEADRO Cc1oc(Br)cc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000424752533 648644319 /nfs/dbraw/zinc/64/43/19/648644319.db2.gz XHAPBTYOXPNRDY-SWLSCSKDSA-N 1 0 384.318 2.449 20 0 GEADRO Cc1oc(Br)cc1C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000424761491 648644984 /nfs/dbraw/zinc/64/49/84/648644984.db2.gz XYJCWSHNOJCZPI-ZDUSSCGKSA-N 1 0 388.306 2.173 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc21)NC[C@@H]1CCC[N@H+]1CCCO ZINC000424861720 648653909 /nfs/dbraw/zinc/65/39/09/648653909.db2.gz HEPBXDHKBMWFAJ-ZDUSSCGKSA-N 1 0 396.285 2.096 20 0 GEADRO O=C(Cn1cc(Br)cn1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425002015 648660150 /nfs/dbraw/zinc/66/01/50/648660150.db2.gz DZTMQKFAPWOOHQ-DOTOQJQBSA-N 1 0 389.297 2.379 20 0 GEADRO Cc1cc(F)c(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c(F)c1 ZINC000425168184 648667746 /nfs/dbraw/zinc/66/77/46/648667746.db2.gz KYPVHQBWVTUBBG-UHFFFAOYSA-N 1 0 376.469 2.395 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](C[C@@H]2COCCO2)C[C@H]1c1ccc(Br)cc1 ZINC000425505702 648682762 /nfs/dbraw/zinc/68/27/62/648682762.db2.gz CANQLCFMCSQVQT-OWCLPIDISA-N 1 0 384.270 2.053 20 0 GEADRO C[N@H+](CC(=O)Nc1ccc(I)cc1)[C@@H]1CCCC[C@H]1O ZINC000426240683 648709461 /nfs/dbraw/zinc/70/94/61/648709461.db2.gz BASBXMRVWJCKPP-ZIAGYGMSSA-N 1 0 388.249 2.465 20 0 GEADRO CN(C)C(=O)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426790263 648714806 /nfs/dbraw/zinc/71/48/06/648714806.db2.gz CBOVJNDRZANWLN-UHFFFAOYSA-N 1 0 396.329 2.350 20 0 GEADRO [NH3+]C1(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CCCCC1 ZINC000428467947 648734315 /nfs/dbraw/zinc/73/43/15/648734315.db2.gz LNZBPJFCIXETEE-CQSZACIVSA-N 1 0 385.555 2.069 20 0 GEADRO COCCn1cc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cn1 ZINC000428550415 648736293 /nfs/dbraw/zinc/73/62/93/648736293.db2.gz RQAFFEJUYSOSGB-OAHLLOKOSA-N 1 0 382.302 2.233 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000428563695 648736917 /nfs/dbraw/zinc/73/69/17/648736917.db2.gz WBLGYNVUQRRLIV-UHFFFAOYSA-N 1 0 384.727 2.025 20 0 GEADRO C[C@H](CNC(=O)NC[C@H](CO)Cc1ccccc1Br)[N@H+](C)C1CC1 ZINC000428579091 648738868 /nfs/dbraw/zinc/73/88/68/648738868.db2.gz HZFKPGVWGQVPDQ-ZIAGYGMSSA-N 1 0 398.345 2.382 20 0 GEADRO C[C@H](CNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000428585661 648739505 /nfs/dbraw/zinc/73/95/05/648739505.db2.gz ZXGWOUZHFURBAU-HIFRSBDPSA-N 1 0 398.345 2.382 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000428591883 648739934 /nfs/dbraw/zinc/73/99/34/648739934.db2.gz AMLZZTPUJCEESP-ZFWWWQNUSA-N 1 0 396.329 2.136 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000428619063 648741787 /nfs/dbraw/zinc/74/17/87/648741787.db2.gz NDJIKZBOPMKSJF-CJNGLKHVSA-N 1 0 396.329 2.401 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000429282083 648748998 /nfs/dbraw/zinc/74/89/98/648748998.db2.gz AEKQFWDLAHNZIM-WHOFXGATSA-N 1 0 382.302 2.201 20 0 GEADRO CC1CC[NH+](CC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000430168412 648760594 /nfs/dbraw/zinc/76/05/94/648760594.db2.gz OEYZZAFXHYWAQV-INIZCTEOSA-N 1 0 383.330 2.448 20 0 GEADRO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430706606 648765228 /nfs/dbraw/zinc/76/52/28/648765228.db2.gz DIUDLEZEJRXXIN-LLVKDONJSA-N 1 0 384.299 2.385 20 0 GEADRO O=C(C[NH2+]CC1CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000430696213 648765237 /nfs/dbraw/zinc/76/52/37/648765237.db2.gz PFZNVWZYHMQMPD-UHFFFAOYSA-N 1 0 376.810 2.402 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430747617 648767484 /nfs/dbraw/zinc/76/74/84/648767484.db2.gz MTKIZLWPWLTZEK-MJVIPROJSA-N 1 0 390.347 2.230 20 0 GEADRO C[C@@H](CC(=O)NCc1nc2cc(Br)cnc2[nH]1)[C@H]1CCC[NH2+]C1 ZINC000430798632 648768478 /nfs/dbraw/zinc/76/84/78/648768478.db2.gz JCXDILWZHOIVIR-QWRGUYRKSA-N 1 0 380.290 2.362 20 0 GEADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000432304048 648776624 /nfs/dbraw/zinc/77/66/24/648776624.db2.gz ZPNOIZZHMASIPG-ZDUSSCGKSA-N 1 0 380.432 2.485 20 0 GEADRO Cc1ncsc1CN(Cc1cc(=O)n2ccsc2n1)C[C@@H]1CC[NH2+]C1 ZINC000435733074 648786511 /nfs/dbraw/zinc/78/65/11/648786511.db2.gz AEEHYWZFTBPREF-CYBMUJFWSA-N 1 0 375.523 2.133 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440745128 648811984 /nfs/dbraw/zinc/81/19/84/648811984.db2.gz HKSVAGJOUDEHAB-WFASDCNBSA-N 1 0 388.917 2.269 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)[C@H](C)C[NH2+]1 ZINC000440758320 648812464 /nfs/dbraw/zinc/81/24/64/648812464.db2.gz MCALRFMHWUESFT-MCIONIFRSA-N 1 0 388.917 2.126 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c(Br)c1 ZINC000440803451 648813538 /nfs/dbraw/zinc/81/35/38/648813538.db2.gz UKJFNHQJTLTNLF-LLVKDONJSA-N 1 0 377.304 2.207 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000440806903 648814136 /nfs/dbraw/zinc/81/41/36/648814136.db2.gz TVLFJFQUVGFANN-JQWIXIFHSA-N 1 0 377.304 2.042 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000440814437 648814578 /nfs/dbraw/zinc/81/45/78/648814578.db2.gz YWEANORIWSWTAI-WDEREUQCSA-N 1 0 377.304 2.137 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000440828742 648815046 /nfs/dbraw/zinc/81/50/46/648815046.db2.gz CMWDSRKNGUYJMV-AVGNSLFASA-N 1 0 376.906 2.112 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000440829084 648815084 /nfs/dbraw/zinc/81/50/84/648815084.db2.gz VEUUMXYZSICHEB-LLVKDONJSA-N 1 0 377.304 2.187 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000440836017 648815467 /nfs/dbraw/zinc/81/54/67/648815467.db2.gz FQKKQPRKDUPLBT-KRWDZBQOSA-N 1 0 382.507 2.356 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000440844664 648816327 /nfs/dbraw/zinc/81/63/27/648816327.db2.gz NEBICOSZMGAZDX-COLVAYQJSA-N 1 0 389.315 2.206 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000441534617 648830874 /nfs/dbraw/zinc/83/08/74/648830874.db2.gz LLSBKBJWUJJFSG-CYBMUJFWSA-N 1 0 395.928 2.102 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000441607014 648832603 /nfs/dbraw/zinc/83/26/03/648832603.db2.gz BTSMZIOVZYXYKO-SSDOTTSWSA-N 1 0 382.180 2.117 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000442142939 648838732 /nfs/dbraw/zinc/83/87/32/648838732.db2.gz WLNMSKGOUOCLMC-DGCLKSJQSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[N@@H+]1C ZINC000442132751 648838791 /nfs/dbraw/zinc/83/87/91/648838791.db2.gz QBZXLLYIOAIUJO-SCZZXKLOSA-N 1 0 390.228 2.265 20 0 GEADRO COc1cc(Br)c(C(=O)CSc2nc(N)cc(N)[nH+]2)cc1OC ZINC000442905000 648852588 /nfs/dbraw/zinc/85/25/88/648852588.db2.gz YWUBMUVKMHRNRC-UHFFFAOYSA-N 1 0 399.270 2.396 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)s1)C(=O)N1CCC(C(N)=O)CC1 ZINC000443346305 648872777 /nfs/dbraw/zinc/87/27/77/648872777.db2.gz PDNIGDGWSBUDJJ-NXEZZACHSA-N 1 0 388.331 2.274 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000548119934 651064775 /nfs/dbraw/zinc/06/47/75/651064775.db2.gz XJXXNYQPDQZZFS-UHFFFAOYSA-N 1 0 382.452 2.186 20 0 GEADRO Cc1nccc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1Br ZINC000548877279 651088302 /nfs/dbraw/zinc/08/83/02/651088302.db2.gz MCGPWPRXYHXTDY-AWEZNQCLSA-N 1 0 397.317 2.151 20 0 GEADRO C[N@@H+](Cc1ccc(F)cc1Br)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000549161683 651092746 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2.355 20 0 GEADRO OC[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000550128245 651105075 /nfs/dbraw/zinc/10/50/75/651105075.db2.gz VRFJRSNGZXVEQA-SWLSCSKDSA-N 1 0 376.266 2.422 20 0 GEADRO CCNC(=O)[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000550194762 651106948 /nfs/dbraw/zinc/10/69/48/651106948.db2.gz SGSTXASBOAIRJG-HIFRSBDPSA-N 1 0 391.281 2.078 20 0 GEADRO C[NH+](C)CCSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000550474037 651112298 /nfs/dbraw/zinc/11/22/98/651112298.db2.gz FQHVSUOKHXKOLY-UHFFFAOYSA-N 1 0 385.555 2.095 20 0 GEADRO CS(=O)(=O)C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000550699264 651114064 /nfs/dbraw/zinc/11/40/64/651114064.db2.gz GVGAFENMBBNNGF-LRDDRELGSA-N 1 0 379.444 2.269 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000550756040 651115021 /nfs/dbraw/zinc/11/50/21/651115021.db2.gz IBZSDQORILOYEV-ZIAGYGMSSA-N 1 0 396.329 2.302 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000550901243 651116374 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CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000552853306 651159747 /nfs/dbraw/zinc/15/97/47/651159747.db2.gz WVEUNVIMYKFLDY-OAHLLOKOSA-N 1 0 390.571 2.193 20 0 GEADRO Cn1cc(Br)c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)n1 ZINC000552892806 651160391 /nfs/dbraw/zinc/16/03/91/651160391.db2.gz AORHURCPONNEOQ-CYBMUJFWSA-N 1 0 379.258 2.002 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000552906716 651160800 /nfs/dbraw/zinc/16/08/00/651160800.db2.gz SGAPUZZYAPYBBF-UHFFFAOYSA-N 1 0 396.329 2.182 20 0 GEADRO CC[NH+]1CCN(CC(=O)NC2(Cc3ccccc3Br)CC2)CC1 ZINC000553784354 651188521 /nfs/dbraw/zinc/18/85/21/651188521.db2.gz ZOEKHLNISFMBCQ-UHFFFAOYSA-N 1 0 380.330 2.278 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC(=O)Nc4ccc(Br)cc43)C2)C1 ZINC000553794610 651188800 /nfs/dbraw/zinc/18/88/00/651188800.db2.gz PJYBEUWIWFBKBY-KSSFIOAISA-N 1 0 392.297 2.429 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000553860031 651191065 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O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]Cc1cc(Br)cs1 ZINC000554836203 651214102 /nfs/dbraw/zinc/21/41/02/651214102.db2.gz FKYOTAUVELHCMO-NSHDSACASA-N 1 0 395.278 2.257 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000555013190 651216432 /nfs/dbraw/zinc/21/64/32/651216432.db2.gz LSJXUDCIXSWAIO-OAHLLOKOSA-N 1 0 390.253 2.175 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c(C(F)(F)F)n1 ZINC000555286673 651221876 /nfs/dbraw/zinc/22/18/76/651221876.db2.gz ZQVFNOPUYGWRPH-GFCCVEGCSA-N 1 0 382.452 2.228 20 0 GEADRO C[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)C1CCN(CC(F)(F)F)CC1 ZINC000556088823 651236496 /nfs/dbraw/zinc/23/64/96/651236496.db2.gz NVGQKBAFAMEJLS-NSHDSACASA-N 1 0 399.504 2.440 20 0 GEADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000556105515 651236848 /nfs/dbraw/zinc/23/68/48/651236848.db2.gz WBTGXRCRJMFIQH-IIBQFJFNSA-N 1 0 384.567 2.381 20 0 GEADRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1cccc(I)c1 ZINC000556386221 651241947 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C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(Br)cn1 ZINC000556896894 651256630 /nfs/dbraw/zinc/25/66/30/651256630.db2.gz HAWCYUYTUFKYPU-WCQYABFASA-N 1 0 388.331 2.451 20 0 GEADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)[C@H]1CCOC1 ZINC000556916151 651257075 /nfs/dbraw/zinc/25/70/75/651257075.db2.gz XIAMJDVGSDXWSJ-STQMWFEESA-N 1 0 391.331 2.132 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cn1 ZINC000556920271 651257278 /nfs/dbraw/zinc/25/72/78/651257278.db2.gz LJUHEJXTIBCLDD-WCQYABFASA-N 1 0 376.320 2.309 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000557016256 651260348 /nfs/dbraw/zinc/26/03/48/651260348.db2.gz QPXPQSMKVPFAHZ-CZUORRHYSA-N 1 0 383.945 2.413 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000557140842 651264293 /nfs/dbraw/zinc/26/42/93/651264293.db2.gz YZZSOIKADXVKRN-WCQYABFASA-N 1 0 398.301 2.217 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000559770557 651300924 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[NH3+]CCSCc1cn(Cc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000603185301 651471007 /nfs/dbraw/zinc/47/10/07/651471007.db2.gz FHZDEARXKLCMLA-UHFFFAOYSA-N 1 0 395.286 2.331 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](CO)C2CCCCC2)cc1Br ZINC000560884509 651471063 /nfs/dbraw/zinc/47/10/63/651471063.db2.gz OJHVTAODJHVIGT-CQSZACIVSA-N 1 0 391.331 2.127 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCCc1cccc(Br)c1 ZINC000642742342 651474328 /nfs/dbraw/zinc/47/43/28/651474328.db2.gz BTDNQBZRUCRPMP-HUUCEWRRSA-N 1 0 398.345 2.478 20 0 GEADRO C[C@@H]1CN(C(=O)NCCCc2cccc(Br)c2)[C@@H](C)C[N@@H+]1CCO ZINC000642742340 651474388 /nfs/dbraw/zinc/47/43/88/651474388.db2.gz BTDNQBZRUCRPMP-CABCVRRESA-N 1 0 398.345 2.478 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1sccc1Br ZINC000717021916 651474393 /nfs/dbraw/zinc/47/43/93/651474393.db2.gz QBJSYBRQPFEUOM-SSDOTTSWSA-N 1 0 375.260 2.034 20 0 GEADRO [NH3+]CCSCc1cn(C[C@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000603258897 651474556 /nfs/dbraw/zinc/47/45/56/651474556.db2.gz JVZJISKDTIMGGU-ZDUSSCGKSA-N 1 0 377.297 2.217 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717129951 651474697 /nfs/dbraw/zinc/47/46/97/651474697.db2.gz GOTJVQOJPYJSKH-STQMWFEESA-N 1 0 384.489 2.292 20 0 GEADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000717134599 651474782 /nfs/dbraw/zinc/47/47/82/651474782.db2.gz ROUNTYYIVPTDLL-QWHCGFSZSA-N 1 0 382.473 2.046 20 0 GEADRO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000642883514 651475013 /nfs/dbraw/zinc/47/50/13/651475013.db2.gz NFQILDKVMBRWGL-HNNXBMFYSA-N 1 0 396.329 2.101 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)NC3CCC([NH3+])CC3)s2)cs1 ZINC000642907243 651475446 /nfs/dbraw/zinc/47/54/46/651475446.db2.gz HECBOEAKLMPMFM-UHFFFAOYSA-N 1 0 378.523 2.182 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](C)C1 ZINC000561148392 651475491 /nfs/dbraw/zinc/47/54/91/651475491.db2.gz JBBSWISQAHECRQ-XJKSGUPXSA-N 1 0 394.313 2.355 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCc1ccc(Br)cc1F ZINC000642949958 651476116 /nfs/dbraw/zinc/47/61/16/651476116.db2.gz FDJUNMHNGZHWBM-INIZCTEOSA-N 1 0 375.282 2.340 20 0 GEADRO CO[C@]1(C[NH2+]Cc2ccc(Br)cc2Cl)CCS(=O)(=O)C1 ZINC000721157018 651476648 /nfs/dbraw/zinc/47/66/48/651476648.db2.gz XNUDHZCMAVXWFI-ZDUSSCGKSA-N 1 0 382.707 2.396 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000642988263 651476803 /nfs/dbraw/zinc/47/68/03/651476803.db2.gz WUSFTRNXIUQUGS-GFCCVEGCSA-N 1 0 380.539 2.430 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CCS(=O)(=O)C1 ZINC000721157009 651476757 /nfs/dbraw/zinc/47/67/57/651476757.db2.gz XHJXAMXQPBXALM-CYBMUJFWSA-N 1 0 382.707 2.396 20 0 GEADRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(I)c(Br)c1 ZINC000721576712 651477058 /nfs/dbraw/zinc/47/70/58/651477058.db2.gz HZTQITLXLQMKAH-ZETCQYMHSA-N 1 0 397.054 2.473 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000643092646 651477765 /nfs/dbraw/zinc/47/77/65/651477765.db2.gz QRXFJRQTRNPKCR-BPLDGKMQSA-N 1 0 385.555 2.098 20 0 GEADRO CCOC(=O)c1nc(N2CC[NH+](C3CCOCC3)CC2)ccc1Br ZINC000603306220 651479040 /nfs/dbraw/zinc/47/90/40/651479040.db2.gz WSKSWMBRFAZBQP-UHFFFAOYSA-N 1 0 398.301 2.322 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000561625340 651482027 /nfs/dbraw/zinc/48/20/27/651482027.db2.gz FHMWKJDZMOPDIM-LSDHHAIUSA-N 1 0 380.286 2.155 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000726195228 651487645 /nfs/dbraw/zinc/48/76/45/651487645.db2.gz VHBWGHRLSQBYIC-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CC[N@H+](CCNC(=O)c1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000726195301 651487850 /nfs/dbraw/zinc/48/78/50/651487850.db2.gz RRNLSMUEFARGOA-UHFFFAOYSA-N 1 0 378.274 2.244 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643487719 651489029 /nfs/dbraw/zinc/48/90/29/651489029.db2.gz VKMCXLYWISBTME-GOEBONIOSA-N 1 0 394.313 2.008 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N(CC)Cc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000643487683 651489066 /nfs/dbraw/zinc/48/90/66/651489066.db2.gz GCNRXGCEYGBKRC-HOCLYGCPSA-N 1 0 396.329 2.383 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000643521263 651489450 /nfs/dbraw/zinc/48/94/50/651489450.db2.gz FSOYEZYKHMFPEB-HNNXBMFYSA-N 1 0 381.929 2.296 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000643592959 651489929 /nfs/dbraw/zinc/48/99/29/651489929.db2.gz SPUIGEANAIXQCY-YXJHDRRASA-N 1 0 379.298 2.148 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)CCCO1 ZINC000643605385 651490317 /nfs/dbraw/zinc/49/03/17/651490317.db2.gz IVDUEJHDPHHNPF-HFTRVMKXSA-N 1 0 379.298 2.229 20 0 GEADRO NC(=O)c1ccc(NC(=S)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000726460439 651493665 /nfs/dbraw/zinc/49/36/65/651493665.db2.gz BPJWAEGYDDNLIJ-UHFFFAOYSA-N 1 0 378.567 2.434 20 0 GEADRO O=C(NCCCc1cccc(Br)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000643688913 651495114 /nfs/dbraw/zinc/49/51/14/651495114.db2.gz NPTTYKGNHRTENJ-OAHLLOKOSA-N 1 0 392.301 2.328 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000603506697 651497953 /nfs/dbraw/zinc/49/79/53/651497953.db2.gz JBNVOIZNRGXHIS-DZGCQCFKSA-N 1 0 387.571 2.488 20 0 GEADRO COc1ccc(C(=O)NCCCN2CCC[N@H+](C)CC2)c(Br)c1 ZINC000603900043 651502699 /nfs/dbraw/zinc/50/26/99/651502699.db2.gz LIVCALBNXBGAFT-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO COC[C@]1(CNC(=O)c2c(C)cccc2I)CCC[NH2+]1 ZINC000562979274 651505216 /nfs/dbraw/zinc/50/52/16/651505216.db2.gz LPKFPZHLQGBWGC-OAHLLOKOSA-N 1 0 388.249 2.098 20 0 GEADRO O=C(CSc1ccc(Cl)cc1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000562980081 651505263 /nfs/dbraw/zinc/50/52/63/651505263.db2.gz LHDGCTVOUFUWMZ-QAPCUYQASA-N 1 0 381.929 2.195 20 0 GEADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000562979945 651505353 /nfs/dbraw/zinc/50/53/53/651505353.db2.gz WZZKRWOEJUDUDV-KBPBESRZSA-N 1 0 385.555 2.170 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000563075405 651507893 /nfs/dbraw/zinc/50/78/93/651507893.db2.gz GDEGAYSIVDLIJI-MAUKXSAKSA-N 1 0 394.313 2.236 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)NCCCS(=O)(=O)Cc1ccccc1 ZINC000727077257 651510841 /nfs/dbraw/zinc/51/08/41/651510841.db2.gz FUUFKTQRQIDOFU-UHFFFAOYSA-N 1 0 385.599 2.043 20 0 GEADRO O=C(NCCCNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccc(Br)cc1 ZINC000563150262 651512648 /nfs/dbraw/zinc/51/26/48/651512648.db2.gz NMXKXEHJEZHSHP-HNNXBMFYSA-N 1 0 382.302 2.217 20 0 GEADRO Cc1cccc(Br)c1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000643970648 651512762 /nfs/dbraw/zinc/51/27/62/651512762.db2.gz LRYACSPCYUAWKP-OAHLLOKOSA-N 1 0 394.313 2.312 20 0 GEADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cc3c(cc1Cl)OCCO3)CC[NH2+]CC2 ZINC000643971041 651512812 /nfs/dbraw/zinc/51/28/12/651512812.db2.gz UTELFSPSYJQPPX-GFCCVEGCSA-N 1 0 386.901 2.264 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563155105 651512944 /nfs/dbraw/zinc/51/29/44/651512944.db2.gz GXFMPJAMSOYLDV-HNNXBMFYSA-N 1 0 382.302 2.054 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644025092 651515216 /nfs/dbraw/zinc/51/52/16/651515216.db2.gz RZKIMKPDFGYNNW-LLVKDONJSA-N 1 0 390.228 2.057 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H](C[NH3+])C1 ZINC000644106034 651521372 /nfs/dbraw/zinc/52/13/72/651521372.db2.gz ISSUXHGHXRAYKS-HZPDHXFCSA-N 1 0 393.285 2.213 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)CC1 ZINC000563275901 651521957 /nfs/dbraw/zinc/52/19/57/651521957.db2.gz QMBJBSQKRDBYPD-GFCCVEGCSA-N 1 0 388.917 2.053 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000644126712 651522598 /nfs/dbraw/zinc/52/25/98/651522598.db2.gz CEFMZVZKJYBUDF-WQGACYEGSA-N 1 0 382.302 2.072 20 0 GEADRO COC[C@]1(CNC(=O)CCOc2ccc(C)cc2Br)CCC[NH2+]1 ZINC000644125960 651522604 /nfs/dbraw/zinc/52/26/04/651522604.db2.gz JTGBXWYILUXOMM-QGZVFWFLSA-N 1 0 385.302 2.411 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563292532 651523377 /nfs/dbraw/zinc/52/33/77/651523377.db2.gz TZAOEGFTJWXSSI-ZDUSSCGKSA-N 1 0 396.329 2.084 20 0 GEADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000644154151 651523542 /nfs/dbraw/zinc/52/35/42/651523542.db2.gz AAYBGKOTTDJIOQ-CQSZACIVSA-N 1 0 383.286 2.197 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000563493012 651526995 /nfs/dbraw/zinc/52/69/95/651526995.db2.gz DQPHCXFRWOQVIC-MRVPVSSYSA-N 1 0 392.681 2.164 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000605058493 651528835 /nfs/dbraw/zinc/52/88/35/651528835.db2.gz XODSXOHFBBUHIS-KRWDZBQOSA-N 1 0 398.345 2.384 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000563532546 651530736 /nfs/dbraw/zinc/53/07/36/651530736.db2.gz RWWNBHFXTVBLTD-JKSUJKDBSA-N 1 0 384.318 2.018 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000563562967 651532583 /nfs/dbraw/zinc/53/25/83/651532583.db2.gz BWMYPQTUQOIQHY-WCQYABFASA-N 1 0 398.301 2.217 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cnn1-c1ccc(Cl)cc1 ZINC000644299706 651532798 /nfs/dbraw/zinc/53/27/98/651532798.db2.gz ARSFSRMIIFWLNW-CJNGLKHVSA-N 1 0 380.901 2.159 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC000644301918 651533369 /nfs/dbraw/zinc/53/33/69/651533369.db2.gz VCAHLXYZKXIRAI-FZMZJTMJSA-N 1 0 389.315 2.172 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000563587823 651534801 /nfs/dbraw/zinc/53/48/01/651534801.db2.gz ZXKXMQMBXLAAKO-FZMZJTMJSA-N 1 0 388.281 2.197 20 0 GEADRO Cn1nc(Br)c2c1ncnc2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000728051223 651535687 /nfs/dbraw/zinc/53/56/87/651535687.db2.gz VAJBNOVSEVZJBB-LBPRGKRZSA-N 1 0 395.305 2.181 20 0 GEADRO C[C@@H](NC(=O)CN1CC[NH+](C(C)(C)CO)CC1)c1ccc(Br)cc1 ZINC000605421127 651536363 /nfs/dbraw/zinc/53/63/63/651536363.db2.gz WPFUHDMVRPSMJF-CQSZACIVSA-N 1 0 398.345 2.015 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000728170968 651539346 /nfs/dbraw/zinc/53/93/46/651539346.db2.gz CRLRGXVVDFHDEZ-LBPRGKRZSA-N 1 0 396.412 2.117 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(-n2cc(Br)cn2)cc1 ZINC000563714323 651539851 /nfs/dbraw/zinc/53/98/51/651539851.db2.gz NWKVGCFBLJIOBV-CYBMUJFWSA-N 1 0 385.212 2.362 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000605880676 651545530 /nfs/dbraw/zinc/54/55/30/651545530.db2.gz JYXNEEXIIYPBFU-CQSZACIVSA-N 1 0 382.302 2.238 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[NH+]1CCC(C)CC1 ZINC000728585841 651547617 /nfs/dbraw/zinc/54/76/17/651547617.db2.gz AZPYWPWGKARCRN-NSHDSACASA-N 1 0 376.935 2.448 20 0 GEADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccc(C(=O)OC)s2)CC1 ZINC000563999549 651550402 /nfs/dbraw/zinc/55/04/02/651550402.db2.gz YLCNXBWVBGKNKL-CYBMUJFWSA-N 1 0 388.555 2.417 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000564015915 651551447 /nfs/dbraw/zinc/55/14/47/651551447.db2.gz KQOGDZMIEHEBIF-UHFFFAOYSA-N 1 0 390.347 2.317 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000606368481 651552291 /nfs/dbraw/zinc/55/22/91/651552291.db2.gz VQVJYZNTEQOVRZ-LBPRGKRZSA-N 1 0 394.269 2.153 20 0 GEADRO COCCN1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644528672 651552338 /nfs/dbraw/zinc/55/23/38/651552338.db2.gz LPZXADYRKILOBG-CQSZACIVSA-N 1 0 377.312 2.434 20 0 GEADRO C[C@H]([NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000644554814 651553475 /nfs/dbraw/zinc/55/34/75/651553475.db2.gz QUUUSEWDIKMFKA-CORIIIEPSA-N 1 0 380.432 2.433 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644554578 651553545 /nfs/dbraw/zinc/55/35/45/651553545.db2.gz QNHIRJVKDCMOJO-ZOWXZIJZSA-N 1 0 380.432 2.447 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000564074192 651554654 /nfs/dbraw/zinc/55/46/54/651554654.db2.gz ASNDQPHOBAXWCD-OLZOCXBDSA-N 1 0 382.302 2.166 20 0 GEADRO O=S(=O)(CC[NH2+]CCc1csc(N2CCCC2)n1)c1ccc(F)cc1 ZINC000644567971 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C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cc(Cl)ccc1Cl)CCO2 ZINC000645855464 651661733 /nfs/dbraw/zinc/66/17/33/651661733.db2.gz CXUHJGSJAPRFAX-UHFFFAOYSA-N 1 0 379.309 2.479 20 0 GEADRO Cc1c(I)cccc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000568392372 651665891 /nfs/dbraw/zinc/66/58/91/651665891.db2.gz WIMSZVHSEUBSHY-NSHDSACASA-N 1 0 380.176 2.327 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cncc(Br)c3)C2=O)n(C)n1 ZINC000568414255 651667680 /nfs/dbraw/zinc/66/76/80/651667680.db2.gz GLPARJGNYLOPLZ-FZMZJTMJSA-N 1 0 378.274 2.342 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(Br)cc1O ZINC000645923268 651668975 /nfs/dbraw/zinc/66/89/75/651668975.db2.gz PGBPBTGHHKXAHK-SMDDNHRTSA-N 1 0 398.301 2.399 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(Br)cc1O ZINC000645923267 651669033 /nfs/dbraw/zinc/66/90/33/651669033.db2.gz PGBPBTGHHKXAHK-RISCZKNCSA-N 1 0 398.301 2.399 20 0 GEADRO C[C@@H]([NH2+]C1CC1)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000568506930 651670433 /nfs/dbraw/zinc/67/04/33/651670433.db2.gz FFMVCAGVHTZWRZ-GFCCVEGCSA-N 1 0 382.302 2.054 20 0 GEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=S)NCCSc3ccccc3)C2)CC1 ZINC000732719821 651671726 /nfs/dbraw/zinc/67/17/26/651671726.db2.gz AKXCWMGVHORQQW-MRXNPFEDSA-N 1 0 378.611 2.411 20 0 GEADRO COc1ccc(Br)cc1C1([NH2+]CCC(=O)N2CCN(C)CC2)CC1 ZINC000645973807 651672268 /nfs/dbraw/zinc/67/22/68/651672268.db2.gz OVPIAEICHHTPPZ-UHFFFAOYSA-N 1 0 396.329 2.201 20 0 GEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C\c3ccc(Br)o3)C2)CC1 ZINC000732781751 651673898 /nfs/dbraw/zinc/67/38/98/651673898.db2.gz STVDDRFMOPDZHC-HSBHDXMMSA-N 1 0 382.302 2.340 20 0 GEADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732811237 651675344 /nfs/dbraw/zinc/67/53/44/651675344.db2.gz PGDTZLLWEPYTBN-OCCSQVGLSA-N 1 0 380.794 2.175 20 0 GEADRO COc1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Br ZINC000732882613 651679534 /nfs/dbraw/zinc/67/95/34/651679534.db2.gz XILXBJDPTXGWTJ-QWHCGFSZSA-N 1 0 384.274 2.442 20 0 GEADRO O=C(CCCC(=O)c1ccc(Br)cc1)N[C@H](CO)C[NH+]1CCCC1 ZINC000646221211 651682857 /nfs/dbraw/zinc/68/28/57/651682857.db2.gz BLFMIZFBCUBCBX-INIZCTEOSA-N 1 0 397.313 2.375 20 0 GEADRO COc1ccc(Br)c(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000646252720 651683592 /nfs/dbraw/zinc/68/35/92/651683592.db2.gz GYGXCYCWIJNUTG-LLVKDONJSA-N 1 0 399.289 2.041 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ccc(Br)c(F)c1 ZINC000646286996 651685766 /nfs/dbraw/zinc/68/57/66/651685766.db2.gz RGLVWGJGQZFZGY-SNVBAGLBSA-N 1 0 387.253 2.172 20 0 GEADRO COc1cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)ccc1Br ZINC000646294583 651686539 /nfs/dbraw/zinc/68/65/39/651686539.db2.gz PIOXJBJUUGTSIO-NSHDSACASA-N 1 0 399.289 2.041 20 0 GEADRO COC(=O)CC1([NH2+]Cc2cn3cc(Br)ccc3n2)CCOCC1 ZINC000610865092 651691143 /nfs/dbraw/zinc/69/11/43/651691143.db2.gz UBEUEYMHCPLGNP-UHFFFAOYSA-N 1 0 382.258 2.299 20 0 GEADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000733166100 651691932 /nfs/dbraw/zinc/69/19/32/651691932.db2.gz OTOZXTXYFTXDNT-OAHLLOKOSA-N 1 0 384.318 2.271 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646384375 651693319 /nfs/dbraw/zinc/69/33/19/651693319.db2.gz IGMNVPKZRWRQRU-OLZOCXBDSA-N 1 0 392.301 2.344 20 0 GEADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000568983515 651694024 /nfs/dbraw/zinc/69/40/24/651694024.db2.gz KOUIYACDCSFUDI-UWVGGRQHSA-N 1 0 393.303 2.030 20 0 GEADRO CN(CCC[NH3+])C(=O)NCc1cc(Cl)cc(I)c1 ZINC000568991032 651694662 /nfs/dbraw/zinc/69/46/62/651694662.db2.gz HVWYFIYXPVJIAO-UHFFFAOYSA-N 1 0 381.645 2.435 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1Br ZINC000646440455 651696629 /nfs/dbraw/zinc/69/66/29/651696629.db2.gz UUEDYNRTCAUOAE-NWDGAFQWSA-N 1 0 385.306 2.231 20 0 GEADRO Cc1cc(CCC(=O)N2CC(C[NH+]3CCN(C)CC3)C2)ccc1Br ZINC000646460720 651698179 /nfs/dbraw/zinc/69/81/79/651698179.db2.gz KGPSCFNPKNYIFI-UHFFFAOYSA-N 1 0 394.357 2.396 20 0 GEADRO Cc1nnc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1C1CC1 ZINC000646535500 651699111 /nfs/dbraw/zinc/69/91/11/651699111.db2.gz UYJZLSKAIBSMRA-MRXNPFEDSA-N 1 0 378.274 2.174 20 0 GEADRO CCC[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)S(N)(=O)=O ZINC000646571890 651702582 /nfs/dbraw/zinc/70/25/82/651702582.db2.gz ARWYRZNZPVMNJU-GOEBONIOSA-N 1 0 387.571 2.095 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646575580 651703048 /nfs/dbraw/zinc/70/30/48/651703048.db2.gz KILHETQLSNEQSA-SNVBAGLBSA-N 1 0 381.889 2.253 20 0 GEADRO C[C@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ncc(Br)cn1 ZINC000569335731 651707135 /nfs/dbraw/zinc/70/71/35/651707135.db2.gz NUIHLZFAWIKWPV-WCQYABFASA-N 1 0 382.306 2.331 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](C)[NH+]3CC(C)C3)nc12 ZINC000569376871 651710504 /nfs/dbraw/zinc/71/05/04/651710504.db2.gz IZYLWDDNLAHFJO-CYBMUJFWSA-N 1 0 379.302 2.404 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000646678905 651712050 /nfs/dbraw/zinc/71/20/50/651712050.db2.gz HTIJBPRLSDAYPO-SNVBAGLBSA-N 1 0 381.274 2.493 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611236193 651715555 /nfs/dbraw/zinc/71/55/55/651715555.db2.gz VYWFFAMJWZQTQX-OAHLLOKOSA-N 1 0 385.302 2.052 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000569463971 651715856 /nfs/dbraw/zinc/71/58/56/651715856.db2.gz AJAOWQXFGFMQMU-CJNGLKHVSA-N 1 0 396.329 2.049 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)cnc1C)[C@@H]1CC[N@H+](C)C1 ZINC000646764521 651717561 /nfs/dbraw/zinc/71/75/61/651717561.db2.gz TWVGHHLIROCATJ-CYBMUJFWSA-N 1 0 383.290 2.034 20 0 GEADRO CCCN(C(=O)C(=O)N1CCc2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000646766547 651718378 /nfs/dbraw/zinc/71/83/78/651718378.db2.gz YLKXYJOIZDPECX-HNNXBMFYSA-N 1 0 394.313 2.281 20 0 GEADRO CN1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000646833275 651722550 /nfs/dbraw/zinc/72/25/50/651722550.db2.gz ZTCALUIZJXTNHE-OAHLLOKOSA-N 1 0 384.318 2.100 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646837324 651722681 /nfs/dbraw/zinc/72/26/81/651722681.db2.gz ZWHVRTMAFLQDGI-CMPLNLGQSA-N 1 0 396.285 2.067 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646843568 651723759 /nfs/dbraw/zinc/72/37/59/651723759.db2.gz JZAXUQCQQMYFDI-BZNIZROVSA-N 1 0 393.285 2.131 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)COc2ccc(Br)cc2Cl)CCO1 ZINC000646859730 651724698 /nfs/dbraw/zinc/72/46/98/651724698.db2.gz SVKZBQDSKCGONI-RNCFNFMXSA-N 1 0 377.666 2.056 20 0 GEADRO Cc1sc2nc(C)nc(SCC(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)c2c1C ZINC000646859710 651724817 /nfs/dbraw/zinc/72/48/17/651724817.db2.gz SLCSTGLEDGTBOW-GXFFZTMASA-N 1 0 380.539 2.283 20 0 GEADRO Cc1c(Br)ccnc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000569820302 651726505 /nfs/dbraw/zinc/72/65/05/651726505.db2.gz JTJAJESUNAKSRW-UHFFFAOYSA-N 1 0 385.306 2.463 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000646911798 651726902 /nfs/dbraw/zinc/72/69/02/651726902.db2.gz HCNOXCAVFXJHBO-LRDDRELGSA-N 1 0 375.270 2.411 20 0 GEADRO C[C@H](CCCCO)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000611519113 651727525 /nfs/dbraw/zinc/72/75/25/651727525.db2.gz VHRGBGYQPWPFHO-TZMCWYRMSA-N 1 0 393.265 2.172 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000611622011 651732057 /nfs/dbraw/zinc/73/20/57/651732057.db2.gz KURNDSCLUBYVLV-GJZGRUSLSA-N 1 0 397.313 2.351 20 0 GEADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000647058403 651732797 /nfs/dbraw/zinc/73/27/97/651732797.db2.gz GVMHTAFFOXXHCO-JYJNAYRXSA-N 1 0 384.293 2.402 20 0 GEADRO CCCN(C(=O)C(=O)NCc1cc(Br)ccc1C)[C@H]1CC[N@H+](C)C1 ZINC000647062228 651732891 /nfs/dbraw/zinc/73/28/91/651732891.db2.gz VSANCQGFJCZAPH-INIZCTEOSA-N 1 0 396.329 2.316 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000611696772 651733045 /nfs/dbraw/zinc/73/30/45/651733045.db2.gz VKXSMDUQQRIWGR-UHFFFAOYSA-N 1 0 396.329 2.236 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000611696565 651733055 /nfs/dbraw/zinc/73/30/55/651733055.db2.gz SGIIUOAHMKHQJA-UHFFFAOYSA-N 1 0 399.182 2.192 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647077506 651733312 /nfs/dbraw/zinc/73/33/12/651733312.db2.gz LOCOHXPPTCFCNH-GOEBONIOSA-N 1 0 394.313 2.450 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000647076570 651733445 /nfs/dbraw/zinc/73/34/45/651733445.db2.gz NOILXBXIALNVSY-WBVHZDCISA-N 1 0 383.286 2.183 20 0 GEADRO O=S1(=O)CC[C@]2(C1)CCCN(C[C@@H](O)COCc1ccccc1Cl)C2 ZINC000569918467 651733623 /nfs/dbraw/zinc/73/36/23/651733623.db2.gz FJHAOKQAKJRFBN-SJLPKXTDSA-N 1 0 387.929 2.118 20 0 GEADRO COc1ncncc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000647177476 651734563 /nfs/dbraw/zinc/73/45/63/651734563.db2.gz ABWOJQSHVXMURU-UHFFFAOYSA-N 1 0 379.258 2.157 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1Cl ZINC000647180244 651734736 /nfs/dbraw/zinc/73/47/36/651734736.db2.gz OVKUGJVLWRKQQI-JTQLQIEISA-N 1 0 383.297 2.130 20 0 GEADRO CC(C)[NH2+]CCCNS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000647211964 651736551 /nfs/dbraw/zinc/73/65/51/651736551.db2.gz SKDYNPXZIATKOP-UHFFFAOYSA-N 1 0 377.304 2.050 20 0 GEADRO CC(C)Cn1nccc1C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000647210266 651736620 /nfs/dbraw/zinc/73/66/20/651736620.db2.gz XKFRYAZBADMRQT-HNNXBMFYSA-N 1 0 382.555 2.401 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)c(Br)c1 ZINC000647272367 651738940 /nfs/dbraw/zinc/73/89/40/651738940.db2.gz MPRMMTSOONEEDE-OCAPTIKFSA-N 1 0 398.120 2.288 20 0 GEADRO CCN(C(=O)C(=O)NCCc1cccc(Br)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000611950330 651739035 /nfs/dbraw/zinc/73/90/35/651739035.db2.gz VDZBCSDVRUWWHF-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)CCC1 ZINC000570027661 651740984 /nfs/dbraw/zinc/74/09/84/651740984.db2.gz ZWFGQOSNCMFENZ-UHFFFAOYSA-N 1 0 394.191 2.404 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCCCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000570040714 651741526 /nfs/dbraw/zinc/74/15/26/651741526.db2.gz KCKKKDDNYIVIOS-HNNXBMFYSA-N 1 0 375.922 2.067 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612015227 651741792 /nfs/dbraw/zinc/74/17/92/651741792.db2.gz RLJLSSWAMBMETD-CYBMUJFWSA-N 1 0 385.277 2.311 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000647297303 651742176 /nfs/dbraw/zinc/74/21/76/651742176.db2.gz VZOGQJVYOCHEEA-LBPRGKRZSA-N 1 0 397.850 2.027 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c1 ZINC000647297665 651742216 /nfs/dbraw/zinc/74/22/16/651742216.db2.gz UETTVCLSVTZZQF-GFCCVEGCSA-N 1 0 390.347 2.407 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000647316525 651743268 /nfs/dbraw/zinc/74/32/68/651743268.db2.gz PEHSVJRYACPIEB-NWDGAFQWSA-N 1 0 390.347 2.311 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000647321886 651743988 /nfs/dbraw/zinc/74/39/88/651743988.db2.gz VVDDLGYARMUWAV-NSHDSACASA-N 1 0 379.309 2.369 20 0 GEADRO COC1([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCCC1 ZINC000570076506 651744983 /nfs/dbraw/zinc/74/49/83/651744983.db2.gz MLJQIHPWAZJSEC-CQSZACIVSA-N 1 0 388.555 2.206 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000734505765 651748062 /nfs/dbraw/zinc/74/80/62/651748062.db2.gz QDTASSWFQBMCMR-ODHXBGJQSA-N 1 0 383.945 2.352 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)/C=C/c3ccccc3Cl)CC2)C1 ZINC000734506026 651748676 /nfs/dbraw/zinc/74/86/76/651748676.db2.gz ZLEOZMZPEBIXEW-LEHPZIBWSA-N 1 0 383.945 2.352 20 0 GEADRO CCOCCOc1ccc(Br)cc1CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647508334 651749142 /nfs/dbraw/zinc/74/91/42/651749142.db2.gz LAPNFCARJSHUIQ-SUMWQHHRSA-N 1 0 387.318 2.412 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000570187699 651751682 /nfs/dbraw/zinc/75/16/82/651751682.db2.gz LFFQUEFEQGAXEV-KRWDZBQOSA-N 1 0 380.286 2.279 20 0 GEADRO OC[C@H](C[NH2+]Cc1ncc(I)s1)c1cccnc1 ZINC000570241791 651754946 /nfs/dbraw/zinc/75/49/46/651754946.db2.gz XONGKVZNUPZBGG-JTQLQIEISA-N 1 0 375.235 2.008 20 0 GEADRO CC[C@H](Cc1ccccc1Br)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777377 651758378 /nfs/dbraw/zinc/75/83/78/651758378.db2.gz NCMOFXIJIINFEV-OAHLLOKOSA-N 1 0 382.346 2.381 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647778450 651758581 /nfs/dbraw/zinc/75/85/81/651758581.db2.gz GGDGQLXYSTUCRD-CYBMUJFWSA-N 1 0 386.309 2.130 20 0 GEADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647775202 651758660 /nfs/dbraw/zinc/75/86/60/651758660.db2.gz FJFVVSWVUOTPKM-ZDUSSCGKSA-N 1 0 386.359 2.293 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[NH2+]CC1(C)C)c1ccc(Br)cc1 ZINC000647840712 651762480 /nfs/dbraw/zinc/76/24/80/651762480.db2.gz YHBQVFOAXZXGQV-OAHLLOKOSA-N 1 0 382.302 2.227 20 0 GEADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647872250 651763825 /nfs/dbraw/zinc/76/38/25/651763825.db2.gz MSGMRKJUVCITOR-UHFFFAOYSA-N 1 0 391.990 2.488 20 0 GEADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1nc2ccc(Br)cn2n1 ZINC000570379390 651764060 /nfs/dbraw/zinc/76/40/60/651764060.db2.gz CZDSHPZNDLNOJP-UHFFFAOYSA-N 1 0 378.274 2.239 20 0 GEADRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000647958938 651767062 /nfs/dbraw/zinc/76/70/62/651767062.db2.gz NXGFSOOIAIBVMS-AWEZNQCLSA-N 1 0 388.339 2.452 20 0 GEADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000570444667 651767891 /nfs/dbraw/zinc/76/78/91/651767891.db2.gz JHMQBVXJYNLEGP-RKOGSIPDSA-N 1 0 376.266 2.446 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccncc1I ZINC000612755373 651769046 /nfs/dbraw/zinc/76/90/46/651769046.db2.gz XZWIIBRTEGAQCK-LLVKDONJSA-N 1 0 388.253 2.104 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000570502370 651771076 /nfs/dbraw/zinc/77/10/76/651771076.db2.gz WESUUDCSAALFPP-HUUCEWRRSA-N 1 0 386.901 2.422 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648041285 651771074 /nfs/dbraw/zinc/77/10/74/651771074.db2.gz ODIVEXKAYWFNHP-GJZGRUSLSA-N 1 0 393.329 2.437 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648041286 651771116 /nfs/dbraw/zinc/77/11/16/651771116.db2.gz ODIVEXKAYWFNHP-HUUCEWRRSA-N 1 0 393.329 2.437 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CS(=O)(=O)CC(C)C)C2)s1 ZINC000570544109 651773772 /nfs/dbraw/zinc/77/37/72/651773772.db2.gz OXCHGVDBMBKOHT-INIZCTEOSA-N 1 0 386.583 2.408 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000648186989 651775753 /nfs/dbraw/zinc/77/57/53/651775753.db2.gz ILRIOPVXENQPCX-SNVBAGLBSA-N 1 0 394.269 2.185 20 0 GEADRO COc1ccc(Br)cc1C1(NC(=O)COC2CC[NH2+]CC2)CC1 ZINC000648191350 651775803 /nfs/dbraw/zinc/77/58/03/651775803.db2.gz HFOGFTHQXPMDGV-UHFFFAOYSA-N 1 0 383.286 2.332 20 0 GEADRO CC(C)(C)N1CC[C@@H](NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1=O ZINC000648196597 651775849 /nfs/dbraw/zinc/77/58/49/651775849.db2.gz AVYCCINJJUCVPV-CXAGYDPISA-N 1 0 382.302 2.139 20 0 GEADRO CC(C)(CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC(F)(F)F ZINC000612926020 651776319 /nfs/dbraw/zinc/77/63/19/651776319.db2.gz IRBZQYMQVPOFJW-JTQLQIEISA-N 1 0 378.361 2.100 20 0 GEADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccnc1-n1cc(Br)cn1 ZINC000648293218 651777453 /nfs/dbraw/zinc/77/74/53/651777453.db2.gz TVMRYEIKQBGMPV-AWEZNQCLSA-N 1 0 390.285 2.244 20 0 GEADRO COCC[N@H+](C)CCNC(=O)NCc1cc(Cl)ccc1Br ZINC000570628120 651778744 /nfs/dbraw/zinc/77/87/44/651778744.db2.gz KFPINBBNMXEMAB-UHFFFAOYSA-N 1 0 378.698 2.480 20 0 GEADRO OCC[N@@H+]1CCCC[C@H]1CNc1ncnc2cc(F)c(Br)cc21 ZINC000570642076 651780038 /nfs/dbraw/zinc/78/00/38/651780038.db2.gz NAIORAHZXWFACC-NSHDSACASA-N 1 0 383.265 2.790 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000570643573 651780702 /nfs/dbraw/zinc/78/07/02/651780702.db2.gz CIDFIPIJFKMYPR-UHFFFAOYSA-N 1 0 385.496 2.053 20 0 GEADRO C[NH+](C)CCOCCNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613286191 651780825 /nfs/dbraw/zinc/78/08/25/651780825.db2.gz UWAUDQSCZLTRRI-UHFFFAOYSA-N 1 0 384.318 2.357 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000570667675 651782338 /nfs/dbraw/zinc/78/23/38/651782338.db2.gz SCUQCIVBPYMUMJ-JQWIXIFHSA-N 1 0 391.693 2.365 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1OC ZINC000570682200 651783926 /nfs/dbraw/zinc/78/39/26/651783926.db2.gz WWLNVVJKTJAFHK-CYBMUJFWSA-N 1 0 392.905 2.129 20 0 GEADRO C[C@H](CC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)n1cc(Br)cn1 ZINC000648373565 651784931 /nfs/dbraw/zinc/78/49/31/651784931.db2.gz OHOSSVJQDSQAIW-KGLIPLIRSA-N 1 0 399.333 2.308 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1nc(C2CCC2)cs1 ZINC000570811280 651793461 /nfs/dbraw/zinc/79/34/61/651793461.db2.gz GSXOOOQIMOYSDZ-LBPRGKRZSA-N 1 0 377.436 2.368 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000570859124 651795849 /nfs/dbraw/zinc/79/58/49/651795849.db2.gz XVLMWBZWMSTUKW-CYBMUJFWSA-N 1 0 377.348 2.414 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1F ZINC000613766065 651795984 /nfs/dbraw/zinc/79/59/84/651795984.db2.gz MWRGGIRPNBWZQX-GFCCVEGCSA-N 1 0 387.293 2.434 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](C)n2cc(Br)cn2)C1 ZINC000648719527 651796326 /nfs/dbraw/zinc/79/63/26/651796326.db2.gz ACDBRFMGSNPPEL-UKRRQHHQSA-N 1 0 387.322 2.070 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)Nc1cc2c(cc1Br)OCCO2 ZINC000735860360 651799862 /nfs/dbraw/zinc/79/98/62/651799862.db2.gz DCXMGYZMKZJFPB-UHFFFAOYSA-N 1 0 393.241 2.271 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2cc(Br)ccc2F)C1 ZINC000614067649 651811398 /nfs/dbraw/zinc/81/13/98/651811398.db2.gz ULKZLMKDZMCMPE-KRWDZBQOSA-N 1 0 387.293 2.436 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000571157641 651814355 /nfs/dbraw/zinc/81/43/55/651814355.db2.gz USOMFPROVJTCKH-OAHLLOKOSA-N 1 0 394.313 2.264 20 0 GEADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3sccc3S(N)(=O)=O)cccc21 ZINC000614203768 651816222 /nfs/dbraw/zinc/81/62/22/651816222.db2.gz LNUQSWDRDBKKAF-LBPRGKRZSA-N 1 0 381.479 2.033 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000571194341 651816429 /nfs/dbraw/zinc/81/64/29/651816429.db2.gz BTRIZMYPAKAYTR-JTQLQIEISA-N 1 0 396.285 2.067 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)C1(c3cncc(Br)c3)CC1)CCO2 ZINC000649129540 651817098 /nfs/dbraw/zinc/81/70/98/651817098.db2.gz AFSJXCPPPQEDQJ-UHFFFAOYSA-N 1 0 394.313 2.199 20 0 GEADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000649279779 651822028 /nfs/dbraw/zinc/82/20/28/651822028.db2.gz VSCIWGDOWZAEBP-CYBMUJFWSA-N 1 0 375.822 2.368 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000571283550 651823193 /nfs/dbraw/zinc/82/31/93/651823193.db2.gz RHYQEJHKCURRCF-UHFFFAOYSA-N 1 0 380.432 2.365 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649342054 651823427 /nfs/dbraw/zinc/82/34/27/651823427.db2.gz IVDAWXMBESXYMT-WNOSKKOXSA-N 1 0 378.314 2.405 20 0 GEADRO CC(C)([NH3+])CCC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000649378594 651824399 /nfs/dbraw/zinc/82/43/99/651824399.db2.gz MGZUUWLFJDQFHY-UHFFFAOYSA-N 1 0 384.318 2.419 20 0 GEADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@H]4CC[NH2+][C@@H]4C3)cs2)cc1 ZINC000649419526 651825579 /nfs/dbraw/zinc/82/55/79/651825579.db2.gz UFTAVADXIAFDCE-CXAGYDPISA-N 1 0 377.535 2.397 20 0 GEADRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000571373792 651828683 /nfs/dbraw/zinc/82/86/83/651828683.db2.gz IARKBFCNRONOPQ-INIZCTEOSA-N 1 0 379.551 2.442 20 0 GEADRO Cc1cc(C[N@H+](CCn2cc(Cl)cn2)C2CC2)cc(S(N)(=O)=O)c1C ZINC000649745585 651833743 /nfs/dbraw/zinc/83/37/43/651833743.db2.gz SXKAFXLXJGBOCL-UHFFFAOYSA-N 1 0 382.917 2.465 20 0 GEADRO CN(CC[NH2+]CCC(=O)Nc1cccc(F)c1)S(=O)(=O)c1cccs1 ZINC000571551961 651839540 /nfs/dbraw/zinc/83/95/40/651839540.db2.gz LKJZUGQKIBFIMR-UHFFFAOYSA-N 1 0 385.486 2.126 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)COc2ccc3ccccc3c2Br)C[C@@H]1O ZINC000571546855 651839598 /nfs/dbraw/zinc/83/95/98/651839598.db2.gz VERFVUFEALLPGC-GJZGRUSLSA-N 1 0 393.281 2.114 20 0 GEADRO CN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1(C[NH3+])CCC1 ZINC000571670834 651847335 /nfs/dbraw/zinc/84/73/35/651847335.db2.gz SHAQWKAETCFMBO-LBPRGKRZSA-N 1 0 380.286 2.142 20 0 GEADRO O=S(=O)(CC[NH2+]C1CCC(OC2CCCC2)CC1)N1CCSCC1 ZINC000571748189 651851449 /nfs/dbraw/zinc/85/14/49/651851449.db2.gz GJTCHFJNNKXMLQ-UHFFFAOYSA-N 1 0 376.588 2.225 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000571760180 651852011 /nfs/dbraw/zinc/85/20/11/651852011.db2.gz LLIWSVUGYNEYTE-XQQFMLRXSA-N 1 0 382.291 2.414 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)[C@@H]2C1 ZINC000615182536 651854246 /nfs/dbraw/zinc/85/42/46/651854246.db2.gz KFFLUWFYRRSPEY-SRMUXQRQSA-N 1 0 380.286 2.084 20 0 GEADRO COC(=O)Cn1cc(C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)nn1 ZINC000571797667 651854586 /nfs/dbraw/zinc/85/45/86/651854586.db2.gz SCGZKIXETPRUGO-JTQLQIEISA-N 1 0 385.237 2.074 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GEADRO C[C@@H]1CCCN(Cc2nnnn2-c2ccccc2Br)[C@@H]1CC[NH3+] ZINC000652355530 651916348 /nfs/dbraw/zinc/91/63/48/651916348.db2.gz ZZURSVGHYJIQDI-TZMCWYRMSA-N 1 0 379.306 2.374 20 0 GEADRO CCO[C@@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000652357064 651916359 /nfs/dbraw/zinc/91/63/59/651916359.db2.gz ZSWWISKSSGDJLR-UKRRQHHQSA-N 1 0 395.301 2.219 20 0 GEADRO C[NH2+]Cc1ccccc1CNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000652582158 651918578 /nfs/dbraw/zinc/91/85/78/651918578.db2.gz CYOJISLXDXULSX-UHFFFAOYSA-N 1 0 379.258 2.189 20 0 GEADRO COc1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c(I)c1 ZINC000572878558 651918805 /nfs/dbraw/zinc/91/88/05/651918805.db2.gz PWIIASNIIYKWRT-NSHDSACASA-N 1 0 396.175 2.027 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000572877663 651918900 /nfs/dbraw/zinc/91/89/00/651918900.db2.gz UDIKASMEQAQUNP-BXKDBHETSA-N 1 0 382.258 2.027 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)c1F ZINC000652642865 651921253 /nfs/dbraw/zinc/92/12/53/651921253.db2.gz NLBQFISGDTYAJV-UHFFFAOYSA-N 1 0 386.265 2.341 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NCCC2CC[NH2+]CC2)c1Br ZINC000652642747 651921882 /nfs/dbraw/zinc/92/18/82/651921882.db2.gz IVXKUTHXDRXOHR-UHFFFAOYSA-N 1 0 386.265 2.341 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000652747117 651922652 /nfs/dbraw/zinc/92/26/52/651922652.db2.gz MEIXQQPFJDEKHV-UHFFFAOYSA-N 1 0 385.339 2.280 20 0 GEADRO Brc1ccc2c(c1)C=C(C[NH2+][C@H]1CCc3nnnn3CC1)CO2 ZINC000572950686 651924453 /nfs/dbraw/zinc/92/44/53/651924453.db2.gz NLGZNRIDGOERRC-AWEZNQCLSA-N 1 0 376.258 2.206 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000572959811 651925058 /nfs/dbraw/zinc/92/50/58/651925058.db2.gz CSYGPQBHIMPMDL-RWMBFGLXSA-N 1 0 376.906 2.159 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)Cc2ccc(I)cc2)cn1 ZINC000617106138 651925625 /nfs/dbraw/zinc/92/56/25/651925625.db2.gz UYHIHVBSZKLFIO-UHFFFAOYSA-N 1 0 398.248 2.231 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000572970627 651926101 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C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000653279223 651938706 /nfs/dbraw/zinc/93/87/06/651938706.db2.gz PZECCHMYMKFJOG-MNOVXSKESA-N 1 0 386.315 2.441 20 0 GEADRO C[NH2+][C@H](C(=O)N1CCc2c(Br)ccc(F)c2C1)c1cnn(C)c1 ZINC000573441343 651956498 /nfs/dbraw/zinc/95/64/98/651956498.db2.gz KKHPNVPIEURQDC-HNNXBMFYSA-N 1 0 381.249 2.167 20 0 GEADRO CCN(C(=O)CCNC(=O)c1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000617559899 651958123 /nfs/dbraw/zinc/95/81/23/651958123.db2.gz BXDJDMKAUPJLLC-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO C[C@@H](O)C[N@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C1CC1 ZINC000653896987 651959921 /nfs/dbraw/zinc/95/99/21/651959921.db2.gz GMGNJMODYBFPJL-CYBMUJFWSA-N 1 0 385.302 2.132 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nscc1Br ZINC000617697222 651962966 /nfs/dbraw/zinc/96/29/66/651962966.db2.gz ZDSKXSVJMWRZFD-CYBMUJFWSA-N 1 0 396.310 2.402 20 0 GEADRO Cn1cc(Br)cc1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617698673 651963747 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C[C@@H](CCNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[NH+](C)C ZINC000617751893 651970848 /nfs/dbraw/zinc/97/08/48/651970848.db2.gz FJHOWFOJZBMPNU-AWEZNQCLSA-N 1 0 387.571 2.239 20 0 GEADRO CO[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccccc1Br ZINC000655017505 651971179 /nfs/dbraw/zinc/97/11/79/651971179.db2.gz NUROFIYJHWVOJQ-CJNGLKHVSA-N 1 0 399.329 2.440 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000655048658 651973945 /nfs/dbraw/zinc/97/39/45/651973945.db2.gz WRCMUNLRPVQRFT-HNNXBMFYSA-N 1 0 395.301 2.215 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c2ccc(Br)cc2nn1C ZINC000655049891 651974313 /nfs/dbraw/zinc/97/43/13/651974313.db2.gz ZEBSCVAEKOLQBT-CYBMUJFWSA-N 1 0 397.317 2.158 20 0 GEADRO [NH3+]CCCOC1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000573724291 651976428 /nfs/dbraw/zinc/97/64/28/651976428.db2.gz BKOOGWBMWPPUKS-QGZVFWFLSA-N 1 0 396.329 2.384 20 0 GEADRO C[C@H](NC(=O)CCCc1ccc(Br)s1)C(=O)NCC[NH+](C)C ZINC000655081915 651977141 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CCN(C(=O)CNC(=O)c1ccc(Br)s1)[C@@H]1CC[N@H+](CC)C1 ZINC000617925710 651981690 /nfs/dbraw/zinc/98/16/90/651981690.db2.gz RRINGPRPVRJVLW-LLVKDONJSA-N 1 0 388.331 2.183 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCOc2cccc(Br)c2C1 ZINC000655319386 651984894 /nfs/dbraw/zinc/98/48/94/651984894.db2.gz JORYDPRJUYBBAB-CYBMUJFWSA-N 1 0 383.286 2.138 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000573890133 651985696 /nfs/dbraw/zinc/98/56/96/651985696.db2.gz GVMBFPJHZALWLZ-UKRRQHHQSA-N 1 0 392.301 2.048 20 0 GEADRO C[NH+](C)C[C@H](CNC(=O)C[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000573972581 651992504 /nfs/dbraw/zinc/99/25/04/651992504.db2.gz AHCOBSRCRATRTL-ZBFHGGJFSA-N 1 0 386.945 2.316 20 0 GEADRO O[C@H](C[NH2+]CCOc1ccc(I)cc1)C(F)(F)F ZINC000574034182 651996502 /nfs/dbraw/zinc/99/65/02/651996502.db2.gz RQOZUJAQYNOICJ-SNVBAGLBSA-N 1 0 375.128 2.183 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCOC1CCCC1 ZINC000742718128 651998496 /nfs/dbraw/zinc/99/84/96/651998496.db2.gz KVURMXNALNMEOD-ZDUSSCGKSA-N 1 0 375.922 2.253 20 0 GEADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618303230 652003056 /nfs/dbraw/zinc/00/30/56/652003056.db2.gz ACNBUVCGWAWECJ-GFCCVEGCSA-N 1 0 390.311 2.239 20 0 GEADRO COCC[C@@]1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCOC1 ZINC000574146541 652004036 /nfs/dbraw/zinc/00/40/36/652004036.db2.gz DMGICUFKDKMWDH-OAHLLOKOSA-N 1 0 392.315 2.008 20 0 GEADRO NC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000574185005 652006617 /nfs/dbraw/zinc/00/66/17/652006617.db2.gz NZWDJLYSNHXCLJ-OAHLLOKOSA-N 1 0 379.254 2.078 20 0 GEADRO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000655753354 652009895 /nfs/dbraw/zinc/00/98/95/652009895.db2.gz YKQMRUOPZXGTCB-OAHLLOKOSA-N 1 0 382.917 2.348 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000655785934 652011553 /nfs/dbraw/zinc/01/15/53/652011553.db2.gz PBRPVMANMLLNHH-CQSZACIVSA-N 1 0 391.269 2.180 20 0 GEADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000574274031 652012561 /nfs/dbraw/zinc/01/25/61/652012561.db2.gz BIPWPSFXBWQIKU-JSGCOSHPSA-N 1 0 387.318 2.329 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)C(F)(F)F ZINC000655928857 652013495 /nfs/dbraw/zinc/01/34/95/652013495.db2.gz QSCWRLRZRRKSBO-WCBMZHEXSA-N 1 0 386.143 2.211 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCN(c2cccc(Br)c2)CC1)C(F)(F)F ZINC000655930521 652013655 /nfs/dbraw/zinc/01/36/55/652013655.db2.gz QSFBWEOTSSVGHR-GFCCVEGCSA-N 1 0 395.223 2.170 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)C[C@H]1C[NH3+] ZINC000655954131 652015172 /nfs/dbraw/zinc/01/51/72/652015172.db2.gz YQBPBBYCTMFFTJ-GDBMZVCRSA-N 1 0 381.523 2.103 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)c(C2CC2)cc1Cl ZINC000655955377 652015195 /nfs/dbraw/zinc/01/51/95/652015195.db2.gz ULENXBPKXJSKBU-NSHDSACASA-N 1 0 375.803 2.263 20 0 GEADRO CCOC(=O)CC[N@H+](CC1CC1)Cn1cc(I)cn1 ZINC000743359191 652017592 /nfs/dbraw/zinc/01/75/92/652017592.db2.gz UNIOTUOUXFZJRO-UHFFFAOYSA-N 1 0 377.226 2.110 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)s1 ZINC000618454990 652017792 /nfs/dbraw/zinc/01/77/92/652017792.db2.gz ZPMQEZDYYJXTQD-ZDUSSCGKSA-N 1 0 387.571 2.488 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(Cn2nc(C(=O)OC)c(Br)c2C)C1 ZINC000743390621 652018550 /nfs/dbraw/zinc/01/85/50/652018550.db2.gz RVLZQIYGFOVQNW-ZDUSSCGKSA-N 1 0 387.322 2.362 20 0 GEADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574518428 652027124 /nfs/dbraw/zinc/02/71/24/652027124.db2.gz HBINYNYMTVSBIU-LBPRGKRZSA-N 1 0 378.416 2.437 20 0 GEADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000574567218 652030952 /nfs/dbraw/zinc/03/09/52/652030952.db2.gz XKDZOURYEXJRMG-RBOXIYTFSA-N 1 0 391.295 2.101 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC(C2N=NC(=O)O2)CC1)c1ccc(Br)cc1 ZINC000574636306 652032606 /nfs/dbraw/zinc/03/26/06/652032606.db2.gz WLQCCXFOSGVWAI-INIZCTEOSA-N 1 0 395.257 2.118 20 0 GEADRO C[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000574685133 652036438 /nfs/dbraw/zinc/03/64/38/652036438.db2.gz ZXBSOCBEMLBEHM-AIANPOQGSA-N 1 0 385.346 2.440 20 0 GEADRO Cc1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000574802649 652044389 /nfs/dbraw/zinc/04/43/89/652044389.db2.gz BYUJCHFRYLTKNP-WBVHZDCISA-N 1 0 394.313 2.134 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000574823402 652045534 /nfs/dbraw/zinc/04/55/34/652045534.db2.gz KHFGPHURZRRPKT-SNVBAGLBSA-N 1 0 395.294 2.359 20 0 GEADRO O=S(=O)(Cc1ccccc1C[NH2+]C[C@@H](O)CC(F)(F)F)N1CCCC1 ZINC000574869579 652048420 /nfs/dbraw/zinc/04/84/20/652048420.db2.gz XFFNOLMHIFHFLR-HNNXBMFYSA-N 1 0 380.432 2.015 20 0 GEADRO Cc1cc(Br)cc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000574911589 652051443 /nfs/dbraw/zinc/05/14/43/652051443.db2.gz QGCSBXFNZNDSQC-HNNXBMFYSA-N 1 0 382.302 2.217 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000574917285 652052020 /nfs/dbraw/zinc/05/20/20/652052020.db2.gz BIHGDOHSDGFKBA-MRXNPFEDSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000574916073 652052106 /nfs/dbraw/zinc/05/21/06/652052106.db2.gz XMKCIWRCARCBJE-MNOVXSKESA-N 1 0 388.331 2.277 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000744798007 652061178 /nfs/dbraw/zinc/06/11/78/652061178.db2.gz DGGJAOYSMVWEBN-LBPRGKRZSA-N 1 0 378.274 2.101 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ncccc1Br ZINC000656863927 652061191 /nfs/dbraw/zinc/06/11/91/652061191.db2.gz MASIMZNZVLUTEJ-GFCCVEGCSA-N 1 0 376.320 2.387 20 0 GEADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000575115518 652063080 /nfs/dbraw/zinc/06/30/80/652063080.db2.gz BPAFDZCWYSPQSE-BLLLJJGKSA-N 1 0 382.291 2.089 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ncccc1Br ZINC000656895758 652065135 /nfs/dbraw/zinc/06/51/35/652065135.db2.gz CLAHEJBHBQTTON-TXEJJXNPSA-N 1 0 376.320 2.385 20 0 GEADRO C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1nc(-c2ccc(Br)cc2)no1 ZINC000575158395 652066076 /nfs/dbraw/zinc/06/60/76/652066076.db2.gz NRQMAVCREXIIJX-KMLBCRHOSA-N 1 0 392.257 2.077 20 0 GEADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000575178465 652066929 /nfs/dbraw/zinc/06/69/29/652066929.db2.gz AMDDHAOYHDYRJL-AAEUAGOBSA-N 1 0 377.897 2.495 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)COc1ccc(I)cc1 ZINC000575179073 652067000 /nfs/dbraw/zinc/06/70/00/652067000.db2.gz BQGLYALKEFEBTR-UHFFFAOYSA-N 1 0 376.238 2.174 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656934442 652067634 /nfs/dbraw/zinc/06/76/34/652067634.db2.gz YQLKZLASTYRVKB-BONVTDFDSA-N 1 0 391.306 2.490 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000575779386 652077235 /nfs/dbraw/zinc/07/72/35/652077235.db2.gz FIINNOSRGVTGIZ-CYBMUJFWSA-N 1 0 397.317 2.466 20 0 GEADRO C[C@](O)(C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)F ZINC000575776302 652077289 /nfs/dbraw/zinc/07/72/89/652077289.db2.gz GKTVLGHOQBUINV-HNNXBMFYSA-N 1 0 380.432 2.264 20 0 GEADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000575797456 652078272 /nfs/dbraw/zinc/07/82/72/652078272.db2.gz BZJHMVHRJWUTPJ-OCCSQVGLSA-N 1 0 385.302 2.475 20 0 GEADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000575797453 652078432 /nfs/dbraw/zinc/07/84/32/652078432.db2.gz BZJHMVHRJWUTPJ-JSGCOSHPSA-N 1 0 385.302 2.475 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(Br)c3)C[C@@H]12 ZINC000575851435 652082208 /nfs/dbraw/zinc/08/22/08/652082208.db2.gz TWPKDKFDNMSSJN-ZDSQKVDBSA-N 1 0 386.677 2.237 20 0 GEADRO O=C(CC1CCCC1)NCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000575862256 652083111 /nfs/dbraw/zinc/08/31/11/652083111.db2.gz ZFKWSRIEUSQDCG-INIZCTEOSA-N 1 0 399.329 2.475 20 0 GEADRO O=C(COC(=O)[C@@H]1SCCc2sccc21)NC1CC[NH+](C2CC2)CC1 ZINC000745637680 652083246 /nfs/dbraw/zinc/08/32/46/652083246.db2.gz SPKUTSLFXQQZOH-QGZVFWFLSA-N 1 0 380.535 2.365 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000575923088 652084794 /nfs/dbraw/zinc/08/47/94/652084794.db2.gz VXBOLHUDTZIXLB-TUAOUCFPSA-N 1 0 390.311 2.461 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000575923086 652084944 /nfs/dbraw/zinc/08/49/44/652084944.db2.gz VXBOLHUDTZIXLB-SDDRHHMPSA-N 1 0 390.311 2.461 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCSc1ccccc1)c1cccs1 ZINC000576056569 652093870 /nfs/dbraw/zinc/09/38/70/652093870.db2.gz MNNQSYYWYMPZMW-HNNXBMFYSA-N 1 0 377.535 2.376 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000576226385 652097989 /nfs/dbraw/zinc/09/79/89/652097989.db2.gz BWZHBPKKHFBKFW-GFCCVEGCSA-N 1 0 389.905 2.199 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000746364240 652101483 /nfs/dbraw/zinc/10/14/83/652101483.db2.gz QVQIRCOCGYJRIP-GJZGRUSLSA-N 1 0 388.965 2.026 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000746391123 652103542 /nfs/dbraw/zinc/10/35/42/652103542.db2.gz LZGHIFYRVVYDKO-GFCCVEGCSA-N 1 0 379.306 2.294 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Cc1cncc(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)n1 ZINC000658262254 652248249 /nfs/dbraw/zinc/24/82/49/652248249.db2.gz PVPVBAUMLCAVCB-NSHDSACASA-N 1 0 399.314 2.088 20 0 GEADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ccsc1Br ZINC000623616812 652249504 /nfs/dbraw/zinc/24/95/04/652249504.db2.gz GAJOTMVZEMTCGS-OAHLLOKOSA-N 1 0 375.332 2.216 20 0 GEADRO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000658286384 652250565 /nfs/dbraw/zinc/25/05/65/652250565.db2.gz RVDPNCPDSCRCLW-WCQYABFASA-N 1 0 390.347 2.231 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2ccc3ncc(I)n3c2)CC[N@@H+]1C ZINC000749399956 652251250 /nfs/dbraw/zinc/25/12/50/652251250.db2.gz LBAWKMUQHASCNR-JQWIXIFHSA-N 1 0 398.248 2.151 20 0 GEADRO COc1nccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000623645114 652251444 /nfs/dbraw/zinc/25/14/44/652251444.db2.gz ORMOYFBEMYSDJJ-KRWDZBQOSA-N 1 0 378.270 2.257 20 0 GEADRO Fc1cccc(Br)c1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623651837 652251950 /nfs/dbraw/zinc/25/19/50/652251950.db2.gz XAECZUCTZAPZFW-LLVKDONJSA-N 1 0 391.248 2.394 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000623712729 652255481 /nfs/dbraw/zinc/25/54/81/652255481.db2.gz JZAMGTDWEDRTCC-LBPRGKRZSA-N 1 0 385.306 2.384 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Br)cnc2OC)C1 ZINC000623719312 652256385 /nfs/dbraw/zinc/25/63/85/652256385.db2.gz QAILALXLLWCZHP-GFCCVEGCSA-N 1 0 385.306 2.384 20 0 GEADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000658364902 652257055 /nfs/dbraw/zinc/25/70/55/652257055.db2.gz BETNMPKEHADGEA-JTQLQIEISA-N 1 0 379.295 2.477 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000658365588 652258063 /nfs/dbraw/zinc/25/80/63/652258063.db2.gz SQAKYBHEXBIXLN-VIFPVBQESA-N 1 0 381.267 2.099 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000623735250 652258002 /nfs/dbraw/zinc/25/80/02/652258002.db2.gz OZQBIFDMGRKOCT-GXFFZTMASA-N 1 0 383.290 2.277 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000623749540 652258013 /nfs/dbraw/zinc/25/80/13/652258013.db2.gz JGIGPKDBKMWESG-HZMBPMFUSA-N 1 0 383.290 2.135 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)Cc3cc(F)ccc3Br)C[C@@H]21 ZINC000658376593 652260275 /nfs/dbraw/zinc/26/02/75/652260275.db2.gz UYBVUNTVPGANJB-RIEGTJTDSA-N 1 0 391.306 2.477 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000658380206 652260642 /nfs/dbraw/zinc/26/06/42/652260642.db2.gz IVCHMDWXKHRMNG-NOZJJQNGSA-N 1 0 379.707 2.475 20 0 GEADRO C[C@@H]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000658382355 652262023 /nfs/dbraw/zinc/26/20/23/652262023.db2.gz DAHKRXVGXIHOPK-ZYHUDNBSSA-N 1 0 379.295 2.335 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000658383425 652263011 /nfs/dbraw/zinc/26/30/11/652263011.db2.gz HDKUCSIREMTLLT-ZFWWWQNUSA-N 1 0 378.416 2.476 20 0 GEADRO COc1ncc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1Cl ZINC000658391652 652264649 /nfs/dbraw/zinc/26/46/49/652264649.db2.gz TWOHPRIYDZDAJS-GDBMZVCRSA-N 1 0 381.885 2.168 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1Cl ZINC000658395147 652265075 /nfs/dbraw/zinc/26/50/75/652265075.db2.gz QZEJHHZVUQVEMF-UHFFFAOYSA-N 1 0 395.308 2.130 20 0 GEADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000658400159 652265919 /nfs/dbraw/zinc/26/59/19/652265919.db2.gz OEOOZBILYZPZFY-RHSMWYFYSA-N 1 0 388.555 2.008 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1Cl ZINC000658400617 652265938 /nfs/dbraw/zinc/26/59/38/652265938.db2.gz NLXZHIFENFFSEG-KOLCDFICSA-N 1 0 377.869 2.185 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000624044980 652266739 /nfs/dbraw/zinc/26/67/39/652266739.db2.gz KIVPSJDPSKBZDI-HOTGVXAUSA-N 1 0 394.313 2.264 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC[C@H]1F ZINC000658408534 652267479 /nfs/dbraw/zinc/26/74/79/652267479.db2.gz KBWLASCOMYCWOU-VXGBXAGGSA-N 1 0 385.686 2.303 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)[NH+](C)C ZINC000658424832 652269663 /nfs/dbraw/zinc/26/96/63/652269663.db2.gz ADYNTZFMMJTAFJ-SNVBAGLBSA-N 1 0 383.290 2.116 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000624094768 652270197 /nfs/dbraw/zinc/27/01/97/652270197.db2.gz NCFIZTSTUSBWMO-DZGCQCFKSA-N 1 0 375.485 2.317 20 0 GEADRO Cc1c(Cl)cc(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)cc1Cl ZINC000658427811 652270461 /nfs/dbraw/zinc/27/04/61/652270461.db2.gz QITXYNLOZAFVAW-UHFFFAOYSA-N 1 0 389.327 2.240 20 0 GEADRO C[C@@H]1CN(c2nccc(-c3ccc(Br)cc3)n2)CC[N@@H+]1CCO ZINC000624124689 652271601 /nfs/dbraw/zinc/27/16/01/652271601.db2.gz JGZZKSBTXMXSMA-CYBMUJFWSA-N 1 0 377.286 2.409 20 0 GEADRO COc1ncc(Br)cc1C[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000624134570 652272174 /nfs/dbraw/zinc/27/21/74/652272174.db2.gz ZYNVUSGSMJNUBG-SNVBAGLBSA-N 1 0 377.304 2.156 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000624164965 652274603 /nfs/dbraw/zinc/27/46/03/652274603.db2.gz RHTGKCIMAYJRMX-AGUYFDCRSA-N 1 0 383.290 2.277 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cncc(Br)c1 ZINC000578453801 652274566 /nfs/dbraw/zinc/27/45/66/652274566.db2.gz GKTHFLVGXCXOSJ-DOMZBBRYSA-N 1 0 392.301 2.419 20 0 GEADRO CCN(C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1)[C@@H]1CC[N@H+](CC)C1 ZINC000658467422 652277029 /nfs/dbraw/zinc/27/70/29/652277029.db2.gz LUHSCAKXKWLENF-LLVKDONJSA-N 1 0 378.420 2.129 20 0 GEADRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624223661 652277684 /nfs/dbraw/zinc/27/76/84/652277684.db2.gz ZZYUAQCLMDRPFO-BHYNMZESSA-N 1 0 389.315 2.315 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C)n1)[C@H]1CC[N@H+](CC)C1 ZINC000658468606 652277942 /nfs/dbraw/zinc/27/79/42/652277942.db2.gz VQZNYIDEBLUUFJ-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO O[C@H](CN1CCCC2(CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)C1)C(F)(F)F ZINC000578581087 652279545 /nfs/dbraw/zinc/27/95/45/652279545.db2.gz CQRNEZDRMLCWKL-ZNRZSNADSA-N 1 0 378.357 2.011 20 0 GEADRO CN(C)S(=O)(=O)N1CC([NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000624283944 652279575 /nfs/dbraw/zinc/27/95/75/652279575.db2.gz BIJFXFNEDOIMQP-ZDUSSCGKSA-N 1 0 394.360 2.042 20 0 GEADRO COC[C@@]1(C)CC[N@@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000578593192 652280609 /nfs/dbraw/zinc/28/06/09/652280609.db2.gz XOJZJVGFHVFTBR-YOEHRIQHSA-N 1 0 381.270 2.439 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3Br)C[C@H]12 ZINC000578606669 652281490 /nfs/dbraw/zinc/28/14/90/652281490.db2.gz FOQDUPGLMHIUPD-ATZCPNFKSA-N 1 0 386.677 2.237 20 0 GEADRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1cccnc1OCC(F)F ZINC000624364934 652283227 /nfs/dbraw/zinc/28/32/27/652283227.db2.gz FEYXRDODKODUSI-UHFFFAOYSA-N 1 0 377.457 2.255 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000624358771 652283350 /nfs/dbraw/zinc/28/33/50/652283350.db2.gz TWWAHAHLULKUPT-NSHDSACASA-N 1 0 377.279 2.412 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000624376068 652284436 /nfs/dbraw/zinc/28/44/36/652284436.db2.gz HIKJRQNDCCPWGN-IINYFYTJSA-N 1 0 377.279 2.399 20 0 GEADRO CCOCC[C@H](O)C[NH2+]CCOc1ccc(I)cc1 ZINC000578642499 652285160 /nfs/dbraw/zinc/28/51/60/652285160.db2.gz KYQTUXUGNZTSRG-ZDUSSCGKSA-N 1 0 379.238 2.047 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000658540400 652286059 /nfs/dbraw/zinc/28/60/59/652286059.db2.gz QXZKYQQEVNDENZ-UHFFFAOYSA-N 1 0 392.656 2.200 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCOCC1 ZINC000624387584 652286385 /nfs/dbraw/zinc/28/63/85/652286385.db2.gz VOKVHKYMJSGALP-UHFFFAOYSA-N 1 0 388.917 2.305 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1N(C)C ZINC000624390779 652287026 /nfs/dbraw/zinc/28/70/26/652287026.db2.gz IFHMUKSMYZTTMN-GXTWGEPZSA-N 1 0 379.448 2.209 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000624391551 652288395 /nfs/dbraw/zinc/28/83/95/652288395.db2.gz ZSHMNTXLBOQSPS-CBAPKCEASA-N 1 0 376.322 2.252 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000624393502 652289676 /nfs/dbraw/zinc/28/96/76/652289676.db2.gz AJZDBPDKBWJPOM-AEGPPILISA-N 1 0 388.917 2.174 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cccc(Br)c1F)C2 ZINC000624412309 652292160 /nfs/dbraw/zinc/29/21/60/652292160.db2.gz UAJODXUUSANASI-OKILXGFUSA-N 1 0 377.279 2.208 20 0 GEADRO C[C@@H](CNC(=O)c1cccn2c(I)cnc12)[NH+]1CCCC1 ZINC000750612684 652300749 /nfs/dbraw/zinc/30/07/49/652300749.db2.gz SMBAHGZPQMPZSX-NSHDSACASA-N 1 0 398.248 2.153 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CC[C@H](F)C1 ZINC000578881673 652301352 /nfs/dbraw/zinc/30/13/52/652301352.db2.gz YGKNYVZNLNDZAD-KBPBESRZSA-N 1 0 377.503 2.124 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)C1 ZINC000750624321 652302218 /nfs/dbraw/zinc/30/22/18/652302218.db2.gz RNQCCFBNGMCACU-UOXLDJKESA-N 1 0 379.404 2.156 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(Br)ccc1OC(F)F ZINC000578894373 652302626 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COC[C@@]1(CNC(=O)N(C)Cc2cc(Br)cs2)CCC[NH2+]1 ZINC000579211803 652325463 /nfs/dbraw/zinc/32/54/63/652325463.db2.gz PREFUUZAACICPY-AWEZNQCLSA-N 1 0 376.320 2.421 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000579244716 652328480 /nfs/dbraw/zinc/32/84/80/652328480.db2.gz OTIYEUALNOQSKQ-UWVGGRQHSA-N 1 0 380.539 2.361 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)CCc1cccs1 ZINC000579281664 652330905 /nfs/dbraw/zinc/33/09/05/652330905.db2.gz ZHABUWOHOFPZMN-UHFFFAOYSA-N 1 0 383.539 2.136 20 0 GEADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@@H]1C[NH3+] ZINC000579342195 652332500 /nfs/dbraw/zinc/33/25/00/652332500.db2.gz WNGGBOBNCGPXTJ-MDZLAQPJSA-N 1 0 385.917 2.219 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000658948412 652333706 /nfs/dbraw/zinc/33/37/06/652333706.db2.gz UELJBIZYFRYZME-YOEHRIQHSA-N 1 0 384.929 2.494 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000658948407 652333864 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O=C1CC2(CN1)CC[NH+](Cn1ccc(=O)c3cccc(Br)c31)CC2 ZINC000751931628 652372293 /nfs/dbraw/zinc/37/22/93/652372293.db2.gz KGMFAVJESJMZOG-UHFFFAOYSA-N 1 0 390.281 2.324 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000625859998 652373787 /nfs/dbraw/zinc/37/37/87/652373787.db2.gz KFPIIVFTYNRJFZ-UHFFFAOYSA-N 1 0 396.289 2.335 20 0 GEADRO CN(CCOCC[NH3+])C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000625880796 652374453 /nfs/dbraw/zinc/37/44/53/652374453.db2.gz OBAMQXRHLJBZBV-UHFFFAOYSA-N 1 0 396.289 2.133 20 0 GEADRO CCc1[nH]nc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1Br ZINC000580287318 652374498 /nfs/dbraw/zinc/37/44/98/652374498.db2.gz INTKGNCSXVYKRU-LLVKDONJSA-N 1 0 387.347 2.891 20 0 GEADRO CC(C)O[C@]1(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)CCOC1 ZINC000659976693 652375499 /nfs/dbraw/zinc/37/54/99/652375499.db2.gz CJENQIMZFOHTPL-QGZVFWFLSA-N 1 0 390.571 2.026 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000580325310 652376237 /nfs/dbraw/zinc/37/62/37/652376237.db2.gz 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CCC(CC)[C@H](CNC(=O)NC[C@@H]1CSCCS1)[NH+]1CCOCC1 ZINC000752869866 652395082 /nfs/dbraw/zinc/39/50/82/652395082.db2.gz OWCZMFYJZSYZSM-CVEARBPZSA-N 1 0 375.604 2.271 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000580892299 652395342 /nfs/dbraw/zinc/39/53/42/652395342.db2.gz DAMUNFMDRGGZFS-GXFFZTMASA-N 1 0 394.324 2.000 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000580961227 652398746 /nfs/dbraw/zinc/39/87/46/652398746.db2.gz NBKLMUXDYAAYJT-UHFFFAOYSA-N 1 0 389.949 2.427 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1 ZINC000753153922 652400521 /nfs/dbraw/zinc/40/05/21/652400521.db2.gz GCWTYIBYMIQEHR-UHFFFAOYSA-N 1 0 381.841 2.167 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000581079149 652400599 /nfs/dbraw/zinc/40/05/99/652400599.db2.gz BQMBMSSAZSWQKM-UHFFFAOYSA-N 1 0 375.922 2.229 20 0 GEADRO COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581127190 652402763 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CO[C@@H]1C[C@H]([NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1(C)C ZINC000753372193 652405543 /nfs/dbraw/zinc/40/55/43/652405543.db2.gz DHOZBJJJRQMREJ-FPMFFAJLSA-N 1 0 375.922 2.108 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000626834135 652405605 /nfs/dbraw/zinc/40/56/05/652405605.db2.gz KVYLWJRVIWGNBI-SFYZADRCSA-N 1 0 392.656 2.376 20 0 GEADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660527539 652405668 /nfs/dbraw/zinc/40/56/68/652405668.db2.gz FIWHPUYQNZSZAX-GJZGRUSLSA-N 1 0 383.432 2.396 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626850690 652405833 /nfs/dbraw/zinc/40/58/33/652405833.db2.gz IMPNACNNCHZHRS-CYBMUJFWSA-N 1 0 384.249 2.236 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626850330 652405905 /nfs/dbraw/zinc/40/59/05/652405905.db2.gz DFNJICIBGVHSGB-LBPRGKRZSA-N 1 0 388.212 2.067 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626852152 652406149 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20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000627088703 652413738 /nfs/dbraw/zinc/41/37/38/652413738.db2.gz SMLWGNOMTLEYMP-UHFFFAOYSA-N 1 0 391.269 2.455 20 0 GEADRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)C2)nc1 ZINC000753740246 652413973 /nfs/dbraw/zinc/41/39/73/652413973.db2.gz BHJMIASQQABDIA-HLLBOEOZSA-N 1 0 379.551 2.416 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000627125241 652414297 /nfs/dbraw/zinc/41/42/97/652414297.db2.gz VCQVZIZJIXDAMZ-LGRHPFTQSA-N 1 0 393.325 2.298 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c1 ZINC000581475961 652414374 /nfs/dbraw/zinc/41/43/74/652414374.db2.gz KVGPCFIVTNYFLL-GJZGRUSLSA-N 1 0 391.331 2.360 20 0 GEADRO CN(CCOCC[NH3+])C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000627118805 652414507 /nfs/dbraw/zinc/41/45/07/652414507.db2.gz AFJXZZWLJMOXOW-UHFFFAOYSA-N 1 0 380.233 2.158 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000627157235 652416595 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CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000661076953 652418810 /nfs/dbraw/zinc/41/88/10/652418810.db2.gz FKNCEDHAXDGALL-HNNXBMFYSA-N 1 0 381.318 2.231 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C[NH2+]1 ZINC000627203580 652418838 /nfs/dbraw/zinc/41/88/38/652418838.db2.gz OCCIDVUCYFPWCR-CMPLNLGQSA-N 1 0 376.320 2.155 20 0 GEADRO [NH3+]CCCOCCNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000627211892 652419057 /nfs/dbraw/zinc/41/90/57/652419057.db2.gz FTEMKXDJUGNXKQ-UHFFFAOYSA-N 1 0 395.301 2.364 20 0 GEADRO [NH3+]CCCOCCNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000627213793 652419137 /nfs/dbraw/zinc/41/91/37/652419137.db2.gz RODKCTNMVQJMPP-HNNXBMFYSA-N 1 0 376.284 2.442 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661145313 652420493 /nfs/dbraw/zinc/42/04/93/652420493.db2.gz ACLGDSUQXODTCC-AWEZNQCLSA-N 1 0 392.301 2.021 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1Br ZINC000581658964 652420602 /nfs/dbraw/zinc/42/06/02/652420602.db2.gz UNTUCIUKXMJNKJ-QWHCGFSZSA-N 1 0 390.347 2.371 20 0 GEADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1)c1ccc(Br)cc1 ZINC000661145709 652420662 /nfs/dbraw/zinc/42/06/62/652420662.db2.gz DAWQBFJKEIXQBD-KBPBESRZSA-N 1 0 392.301 2.240 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1)Nc1cccc(Br)c1 ZINC000661146540 652421121 /nfs/dbraw/zinc/42/11/21/652421121.db2.gz URAHBRMVOPJTCZ-CYBMUJFWSA-N 1 0 378.274 2.391 20 0 GEADRO O=C(c1c(F)cc(Br)cc1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627260518 652421197 /nfs/dbraw/zinc/42/11/97/652421197.db2.gz JUPIYQDUXQSJJG-MNOVXSKESA-N 1 0 375.213 2.008 20 0 GEADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627260960 652421589 /nfs/dbraw/zinc/42/15/89/652421589.db2.gz QVRWLVWRCMLULS-VXGBXAGGSA-N 1 0 378.270 2.212 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCC(C)(C)c2ccccc2Br)C[NH2+]1 ZINC000627335608 652423474 /nfs/dbraw/zinc/42/34/74/652423474.db2.gz ATIVYNQUKGHUII-OLZOCXBDSA-N 1 0 396.329 2.100 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000581735838 652423929 /nfs/dbraw/zinc/42/39/29/652423929.db2.gz DAFWHMOISVPKTE-CQSZACIVSA-N 1 0 396.329 2.174 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)sc1C(F)(F)F ZINC000581760065 652424930 /nfs/dbraw/zinc/42/49/30/652424930.db2.gz NWZKUTFSFZYKTD-UHFFFAOYSA-N 1 0 378.420 2.209 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c(Br)c1 ZINC000581823950 652426253 /nfs/dbraw/zinc/42/62/53/652426253.db2.gz PMCHFJXCFIUFTP-LLVKDONJSA-N 1 0 377.304 2.350 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627399877 652426405 /nfs/dbraw/zinc/42/64/05/652426405.db2.gz DNBNHVLSTIUFAP-IVMMDQJWSA-N 1 0 394.313 2.022 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000627413147 652427051 /nfs/dbraw/zinc/42/70/51/652427051.db2.gz BJRDESOQZYKKDL-YPMHNXCESA-N 1 0 382.302 2.007 20 0 GEADRO COc1ccc(Br)c(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000581938871 652428306 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2.268 20 0 GEADRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000661493687 652432974 /nfs/dbraw/zinc/43/29/74/652432974.db2.gz HVBWPEQBESOVII-CALCHBBNSA-N 1 0 378.270 2.315 20 0 GEADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](CCc1nccs1)C(C)C ZINC000754368800 652434287 /nfs/dbraw/zinc/43/42/87/652434287.db2.gz RFWINEFNHMHQDT-LFIBNONCSA-N 1 0 383.539 2.376 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(Br)cc1 ZINC000661598272 652434341 /nfs/dbraw/zinc/43/43/41/652434341.db2.gz OUDVVGGDQPLKTR-IUODEOHRSA-N 1 0 380.286 2.378 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccccc1Br ZINC000661597749 652434416 /nfs/dbraw/zinc/43/44/16/652434416.db2.gz NBVNQJRFQYCKPW-JSGCOSHPSA-N 1 0 380.286 2.378 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661609253 652435366 /nfs/dbraw/zinc/43/53/66/652435366.db2.gz OSQPPAUUEDHMJG-JMSVASOKSA-N 1 0 380.286 2.377 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cc1Br ZINC000627612560 652435420 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C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000627828886 652440516 /nfs/dbraw/zinc/44/05/16/652440516.db2.gz NXQHQTRXHUZNTP-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO C[C@@H]1CN(Cc2cn3ccc(Br)cc3n2)CC[N@@H+]1CC(C)(C)O ZINC000582273472 652443064 /nfs/dbraw/zinc/44/30/64/652443064.db2.gz RNAXHOHCKOVDFO-CYBMUJFWSA-N 1 0 381.318 2.374 20 0 GEADRO CN(Cc1cc(Br)cn1C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661981427 652444145 /nfs/dbraw/zinc/44/41/45/652444145.db2.gz JZNJUQVSBRDVMW-HNNXBMFYSA-N 1 0 399.333 2.182 20 0 GEADRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000662010467 652444943 /nfs/dbraw/zinc/44/49/43/652444943.db2.gz DPLYLBBAGYCNGK-OAHLLOKOSA-N 1 0 397.317 2.465 20 0 GEADRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662016405 652445338 /nfs/dbraw/zinc/44/53/38/652445338.db2.gz JFEUFNRWURZBNL-ZIAGYGMSSA-N 1 0 390.311 2.421 20 0 GEADRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662016403 652445513 /nfs/dbraw/zinc/44/55/13/652445513.db2.gz JFEUFNRWURZBNL-KGLIPLIRSA-N 1 0 390.311 2.421 20 0 GEADRO Cc1cc(NC(=O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1Br ZINC000662156463 652449420 /nfs/dbraw/zinc/44/94/20/652449420.db2.gz MDNYSOKBRDGCTH-MRXNPFEDSA-N 1 0 396.329 2.227 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(Cc3cc4c(cc3Br)OCO4)CC2)C1 ZINC000662157333 652449451 /nfs/dbraw/zinc/44/94/51/652449451.db2.gz PSIVBLHQGPAKBW-AWEZNQCLSA-N 1 0 383.286 2.209 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000754869898 652449787 /nfs/dbraw/zinc/44/97/87/652449787.db2.gz CZORSXLOCIAHIZ-UHFFFAOYSA-N 1 0 385.486 2.451 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000582430771 652450087 /nfs/dbraw/zinc/45/00/87/652450087.db2.gz HQKFVQYUEOHVOG-WFASDCNBSA-N 1 0 382.302 2.102 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CCC([NH+]3CCOCC3)CC2)c1 ZINC000628124701 652452514 /nfs/dbraw/zinc/45/25/14/652452514.db2.gz RKDXTHMWLPQCHR-UHFFFAOYSA-N 1 0 397.313 2.323 20 0 GEADRO C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(=O)[nH]n1 ZINC000582502791 652453077 /nfs/dbraw/zinc/45/30/77/652453077.db2.gz ZJEPBOATVDBSGQ-NSHDSACASA-N 1 0 379.258 2.415 20 0 GEADRO COc1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1Br ZINC000628146681 652453251 /nfs/dbraw/zinc/45/32/51/652453251.db2.gz WTZDUGJEHMKELT-CQSZACIVSA-N 1 0 383.286 2.129 20 0 GEADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ncc(COC)s2)CC1 ZINC000582632529 652457137 /nfs/dbraw/zinc/45/71/37/652457137.db2.gz DZXPGOCBCWIHMG-ZDUSSCGKSA-N 1 0 375.560 2.172 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(Br)c(F)c1F ZINC000628322295 652457329 /nfs/dbraw/zinc/45/73/29/652457329.db2.gz NDZPGAWKEYGJIM-JTQLQIEISA-N 1 0 376.245 2.279 20 0 GEADRO O=C(CNCc1ncc(Br)cc1F)NCC[NH+]1CCCCCC1 ZINC000628293944 652457336 /nfs/dbraw/zinc/45/73/36/652457336.db2.gz ZSGLNFBPFSKKPN-UHFFFAOYSA-N 1 0 387.297 2.065 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CC2CC1(C)C2 ZINC000662382000 652458336 /nfs/dbraw/zinc/45/83/36/652458336.db2.gz BBKCOHIRTNBMIV-ZBFVHZJFSA-N 1 0 385.917 2.402 20 0 GEADRO N[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000662387669 652458770 /nfs/dbraw/zinc/45/87/70/652458770.db2.gz UYNUIYLRMWSOIG-QGZVFWFLSA-N 1 0 396.329 2.020 20 0 GEADRO C[C@H](CNS(=O)(=O)CCc1ccccc1Br)[NH+]1CCCC1 ZINC000582699397 652459575 /nfs/dbraw/zinc/45/95/75/652459575.db2.gz HIBSDZGNSZJDHM-CYBMUJFWSA-N 1 0 375.332 2.395 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662410156 652459824 /nfs/dbraw/zinc/45/98/24/652459824.db2.gz HWKIINYAVKODJP-LBPRGKRZSA-N 1 0 392.301 2.326 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CCO1 ZINC000662430980 652460460 /nfs/dbraw/zinc/46/04/60/652460460.db2.gz FZCIQDLGNXFWFV-BMIGLBTASA-N 1 0 380.242 2.292 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](N)c2ccccc2Br)C1 ZINC000662487038 652463778 /nfs/dbraw/zinc/46/37/78/652463778.db2.gz PEESCRYSWJFNSE-YOEHRIQHSA-N 1 0 398.345 2.408 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000628584496 652463855 /nfs/dbraw/zinc/46/38/55/652463855.db2.gz DSXRDSVRBMSNCI-HNNXBMFYSA-N 1 0 393.285 2.000 20 0 GEADRO C[NH+](C)CCn1cc(NS(=O)(=O)/C=C/c2ccccc2Cl)ccc1=O ZINC000755437156 652465504 /nfs/dbraw/zinc/46/55/04/652465504.db2.gz JDLXJVJKHZLJTE-FMIVXFBMSA-N 1 0 381.885 2.476 20 0 GEADRO O=C(Nc1cnc2c(Br)cccn12)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000662540579 652466859 /nfs/dbraw/zinc/46/68/59/652466859.db2.gz YYLCELHZPMRBNE-VIFPVBQESA-N 1 0 375.230 2.149 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000662568967 652468114 /nfs/dbraw/zinc/46/81/14/652468114.db2.gz MFEJFOVJTPIIEI-WBVHZDCISA-N 1 0 385.277 2.486 20 0 GEADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662607315 652469207 /nfs/dbraw/zinc/46/92/07/652469207.db2.gz LTLSILLABYYFTQ-LLVKDONJSA-N 1 0 391.331 2.055 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000628738222 652469445 /nfs/dbraw/zinc/46/94/45/652469445.db2.gz DKECTPGVVBVRDR-AWEZNQCLSA-N 1 0 396.329 2.417 20 0 GEADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662622731 652469603 /nfs/dbraw/zinc/46/96/03/652469603.db2.gz DSTMIRJQRDPQPN-JTQLQIEISA-N 1 0 396.310 2.393 20 0 GEADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000662623639 652469729 /nfs/dbraw/zinc/46/97/29/652469729.db2.gz FQDKBIDOQTWCHA-JKSUJKDBSA-N 1 0 393.285 2.191 20 0 GEADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000582988129 652469882 /nfs/dbraw/zinc/46/98/82/652469882.db2.gz VXSUHCURRAVCIS-CQSZACIVSA-N 1 0 390.571 2.125 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CN1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000583003068 652470571 /nfs/dbraw/zinc/47/05/71/652470571.db2.gz TVRZYCMJVATDHV-OAHLLOKOSA-N 1 0 381.567 2.477 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000662696646 652470691 /nfs/dbraw/zinc/47/06/91/652470691.db2.gz QNCSCAFKQHZLPK-JTQLQIEISA-N 1 0 377.329 2.024 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000583009968 652470769 /nfs/dbraw/zinc/47/07/69/652470769.db2.gz NRQSGWAZCOMOPC-CYBMUJFWSA-N 1 0 384.322 2.056 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc(Br)oc2C)CC1 ZINC000662743620 652472383 /nfs/dbraw/zinc/47/23/83/652472383.db2.gz RGXZVXVFTCURTP-UHFFFAOYSA-N 1 0 386.290 2.071 20 0 GEADRO [NH3+]C1CCC(OCC(=O)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000662742465 652472439 /nfs/dbraw/zinc/47/24/39/652472439.db2.gz VTMPSAJNTVDMKH-UHFFFAOYSA-N 1 0 383.286 2.457 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cc2ccccc2Br)CC1 ZINC000662744717 652472856 /nfs/dbraw/zinc/47/28/56/652472856.db2.gz GOUMVKLWOQAVAT-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO CC[C@H](Cc1ccccc1Br)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662750553 652473280 /nfs/dbraw/zinc/47/32/80/652473280.db2.gz NOSLIXCCFJOSMG-LLVKDONJSA-N 1 0 393.285 2.289 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662779515 652474229 /nfs/dbraw/zinc/47/42/29/652474229.db2.gz NUNXHPBLJSFGQM-MWNCTCPHSA-N 1 0 380.286 2.132 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749883 652475213 /nfs/dbraw/zinc/47/52/13/652475213.db2.gz KXCYFKAWYARZAR-ZDUSSCGKSA-N 1 0 379.302 2.390 20 0 GEADRO Cc1c(C[NH3+])c(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)nn1C ZINC000662834919 652476266 /nfs/dbraw/zinc/47/62/66/652476266.db2.gz CQLSEBLGLKAUKI-LLVKDONJSA-N 1 0 379.258 2.455 20 0 GEADRO Cn1ccnc1[C@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755787553 652476522 /nfs/dbraw/zinc/47/65/22/652476522.db2.gz APFGHLWSONXTLZ-LBPRGKRZSA-N 1 0 388.269 2.340 20 0 GEADRO CC1(OCC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C[NH2+]C1 ZINC000662864640 652476586 /nfs/dbraw/zinc/47/65/86/652476586.db2.gz UKLUNJXOVAXGOC-UHFFFAOYSA-N 1 0 378.270 2.194 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)CCN1C(=O)CCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968859 652476819 /nfs/dbraw/zinc/47/68/19/652476819.db2.gz UDBIBZIIDIZGGT-AWEZNQCLSA-N 1 0 386.279 2.251 20 0 GEADRO CCC[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)S(N)(=O)=O ZINC000628969652 652476917 /nfs/dbraw/zinc/47/69/17/652476917.db2.gz XCYIWAIYKJCKQP-ZIAGYGMSSA-N 1 0 396.340 2.170 20 0 GEADRO C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@H](C[NH3+])C1 ZINC000662897003 652477747 /nfs/dbraw/zinc/47/77/47/652477747.db2.gz MHTKTNKUPBICQB-PWSUYJOCSA-N 1 0 378.270 2.490 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)C1(c2ccc(Br)cc2)CCOCC1 ZINC000662921224 652478485 /nfs/dbraw/zinc/47/84/85/652478485.db2.gz HDOPPAQWXIEZSB-UHFFFAOYSA-N 1 0 379.298 2.366 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662943640 652479419 /nfs/dbraw/zinc/47/94/19/652479419.db2.gz VUBJNEYMESVSJI-UHFFFAOYSA-N 1 0 390.709 2.257 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662942501 652479432 /nfs/dbraw/zinc/47/94/32/652479432.db2.gz ISXNQBHXJWIDMB-UHFFFAOYSA-N 1 0 384.318 2.241 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000662961634 652479749 /nfs/dbraw/zinc/47/97/49/652479749.db2.gz GADINHWUCVDGMG-MRXNPFEDSA-N 1 0 396.329 2.180 20 0 GEADRO NC(=O)C1CCC([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000583292341 652480321 /nfs/dbraw/zinc/48/03/21/652480321.db2.gz FCJGEWDMQBQCME-UHFFFAOYSA-N 1 0 378.274 2.164 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC(CC[NH3+])CC1)C2 ZINC000662994824 652480916 /nfs/dbraw/zinc/48/09/16/652480916.db2.gz YTUMAQHVNXXXSS-UHFFFAOYSA-N 1 0 394.313 2.187 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1Br ZINC000583310408 652480909 /nfs/dbraw/zinc/48/09/09/652480909.db2.gz STQDWXWXVDWNNF-MNOVXSKESA-N 1 0 384.249 2.188 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000583321375 652481147 /nfs/dbraw/zinc/48/11/47/652481147.db2.gz FFJAUQPDWODMOK-NXEZZACHSA-N 1 0 378.274 2.373 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(I)c2)C1 ZINC000583405840 652483464 /nfs/dbraw/zinc/48/34/64/652483464.db2.gz CVWMMCYMZLEZTJ-ZDUSSCGKSA-N 1 0 389.237 2.133 20 0 GEADRO CCN1CCN(C(=O)C(=O)Nc2nc(-c3sccc3C)ns2)C[C@@H]1C ZINC000663122514 652483591 /nfs/dbraw/zinc/48/35/91/652483591.db2.gz RKXBZCAJTNMSIY-NSHDSACASA-N 1 0 379.511 2.066 20 0 GEADRO CC(C)[C@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC[NH2+]1 ZINC000663221690 652485728 /nfs/dbraw/zinc/48/57/28/652485728.db2.gz IMMXGWCKMSPZKZ-HUUCEWRRSA-N 1 0 380.286 2.011 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(F)cc1Br ZINC000663309288 652492679 /nfs/dbraw/zinc/49/26/79/652492679.db2.gz BLTFRFUIHIAHCH-VIFPVBQESA-N 1 0 379.173 2.098 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000663309743 652493101 /nfs/dbraw/zinc/49/31/01/652493101.db2.gz QYPLHLCDEKPOAT-JTQLQIEISA-N 1 0 393.200 2.239 20 0 GEADRO Cc1c(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000629353391 652493251 /nfs/dbraw/zinc/49/32/51/652493251.db2.gz CXXABJXONNOQPS-QLPKVWCKSA-N 1 0 380.901 2.015 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000629353871 652493273 /nfs/dbraw/zinc/49/32/73/652493273.db2.gz WRZLPFVFEINYRZ-JYAVWHMHSA-N 1 0 389.315 2.028 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Br)cc1F ZINC000663312528 652493774 /nfs/dbraw/zinc/49/37/74/652493774.db2.gz YQPYWOITGREGFI-VIFPVBQESA-N 1 0 379.173 2.098 20 0 GEADRO C[NH2+]CCOCCN(C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000629571321 652493882 /nfs/dbraw/zinc/49/38/82/652493882.db2.gz LHMXIBLCRQCYQH-UHFFFAOYSA-N 1 0 375.292 2.228 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584070 652494187 /nfs/dbraw/zinc/49/41/87/652494187.db2.gz KWOSYKXQWQNRPH-HDICACEKSA-N 1 0 380.330 2.339 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(Br)c(F)c1F)COC1CCOCC1 ZINC000629597067 652494607 /nfs/dbraw/zinc/49/46/07/652494607.db2.gz FDTVKCBDELMCJJ-LLVKDONJSA-N 1 0 380.229 2.373 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000663364657 652495527 /nfs/dbraw/zinc/49/55/27/652495527.db2.gz TTWXAOQLMUSQBC-LBPRGKRZSA-N 1 0 382.309 2.290 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000629822491 652495480 /nfs/dbraw/zinc/49/54/80/652495480.db2.gz QKZFVPRUTMLPJD-UKRRQHHQSA-N 1 0 396.329 2.221 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000629822490 652495540 /nfs/dbraw/zinc/49/55/40/652495540.db2.gz QKZFVPRUTMLPJD-HIFRSBDPSA-N 1 0 396.329 2.221 20 0 GEADRO Brc1ccc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2c1 ZINC000663392290 652496562 /nfs/dbraw/zinc/49/65/62/652496562.db2.gz AFOILNWPBGPWGW-UHFFFAOYSA-N 1 0 380.290 2.040 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000583812415 652497997 /nfs/dbraw/zinc/49/79/97/652497997.db2.gz GLWQFCOZHKJFMJ-NXEZZACHSA-N 1 0 390.709 2.303 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCSc1ccc(Cl)cc1 ZINC000663484701 652501904 /nfs/dbraw/zinc/50/19/04/652501904.db2.gz FDXHWWQWKZALFJ-UHFFFAOYSA-N 1 0 386.949 2.094 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2nc(C3CC3)ncc2Br)C1 ZINC000663526181 652502651 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GEADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000584060431 652507812 /nfs/dbraw/zinc/50/78/12/652507812.db2.gz FUSDUBQAAOWDLV-AWEZNQCLSA-N 1 0 377.286 2.050 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000584064423 652507881 /nfs/dbraw/zinc/50/78/81/652507881.db2.gz AVEAKROEMMWLKK-BDAKNGLRSA-N 1 0 381.267 2.097 20 0 GEADRO O=C(CCc1cccc(F)c1Br)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000584123546 652510291 /nfs/dbraw/zinc/51/02/91/652510291.db2.gz ZDPIINOCXVNDOY-KRWDZBQOSA-N 1 0 385.277 2.094 20 0 GEADRO Cc1nc(C)c(Br)c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000663755433 652511116 /nfs/dbraw/zinc/51/11/16/652511116.db2.gz IUCBRTLYSJBPHV-SWLSCSKDSA-N 1 0 382.350 2.318 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000584160648 652511522 /nfs/dbraw/zinc/51/15/22/652511522.db2.gz CZNTYEKVSBJOQP-NSHDSACASA-N 1 0 391.269 2.133 20 0 GEADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)CC1 ZINC000584161559 652511923 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Cn1cc(Br)c(=O)n(Cc2cccc(C[NH+]3CCCCC3)c2)c1=O ZINC000664044699 652518613 /nfs/dbraw/zinc/51/86/13/652518613.db2.gz CAYTTXBUJGQLNR-UHFFFAOYSA-N 1 0 392.297 2.344 20 0 GEADRO COCCc1ncc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)s1 ZINC000631097992 652519872 /nfs/dbraw/zinc/51/98/72/652519872.db2.gz JRHWSCIQSBAMSU-UHFFFAOYSA-N 1 0 389.568 2.078 20 0 GEADRO CN(CC1CC[NH+](C)CC1)c1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631099487 652520029 /nfs/dbraw/zinc/52/00/29/652520029.db2.gz IQACSSSNVABETL-UHFFFAOYSA-N 1 0 381.420 2.011 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ncc(Br)cc1Cl ZINC000631114339 652520551 /nfs/dbraw/zinc/52/05/51/652520551.db2.gz BTLRKOFGVLMRHF-JSGCOSHPSA-N 1 0 379.682 2.408 20 0 GEADRO CNC(=O)C1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000584465681 652521720 /nfs/dbraw/zinc/52/17/20/652521720.db2.gz VUJVJHOMTRMZIG-ZALBZXLWSA-N 1 0 385.302 2.083 20 0 GEADRO O=C(Cc1csc(CCC(F)(F)F)n1)NCCC[NH+]1CCC(O)CC1 ZINC000631373533 652522401 /nfs/dbraw/zinc/52/24/01/652522401.db2.gz ZKMXHBKLUMZSHD-UHFFFAOYSA-N 1 0 379.448 2.144 20 0 GEADRO COC[C@@]1(CNC(=O)Nc2ccc3nccnc3c2Br)CCC[NH2+]1 ZINC000584578597 652523917 /nfs/dbraw/zinc/52/39/17/652523917.db2.gz PPTHCXSPFKYWNH-INIZCTEOSA-N 1 0 394.273 2.282 20 0 GEADRO CN(CCC[NH+](C)C)CCNc1ccc(S(C)(=O)=O)cc1C(F)(F)F ZINC000664246205 652524086 /nfs/dbraw/zinc/52/40/86/652524086.db2.gz UMYYLBUCOTUYGK-UHFFFAOYSA-N 1 0 381.464 2.404 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ncc(Br)cc1S(N)(=O)=O ZINC000664458231 652527987 /nfs/dbraw/zinc/52/79/87/652527987.db2.gz WPODPAAIOGEPNQ-NSHDSACASA-N 1 0 391.335 2.024 20 0 GEADRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000631656714 652530232 /nfs/dbraw/zinc/53/02/32/652530232.db2.gz VIWIMLPRAFWVCN-AWEZNQCLSA-N 1 0 387.933 2.381 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000584825548 652530826 /nfs/dbraw/zinc/53/08/26/652530826.db2.gz LGEWMDYACBDNDG-MRXNPFEDSA-N 1 0 383.945 2.367 20 0 GEADRO CC(C)[NH+](CCNS(=O)(=O)Cc1ncsc1Br)C(C)C ZINC000631677765 652531272 /nfs/dbraw/zinc/53/12/72/652531272.db2.gz DQXISBOKGXHLBK-UHFFFAOYSA-N 1 0 384.365 2.444 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000584839168 652531407 /nfs/dbraw/zinc/53/14/07/652531407.db2.gz HJZPHYWBXNAGRO-JTQLQIEISA-N 1 0 395.294 2.407 20 0 GEADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631703778 652531981 /nfs/dbraw/zinc/53/19/81/652531981.db2.gz PADLHDUKXAALRB-DNJQJEMRSA-N 1 0 377.304 2.313 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000631710670 652532297 /nfs/dbraw/zinc/53/22/97/652532297.db2.gz QKTDAUKMOBYNCK-CYBMUJFWSA-N 1 0 377.304 2.192 20 0 GEADRO FC(F)(F)COCCC[NH+]1CCN(C(=S)NC[C@@H]2CCCCO2)CC1 ZINC000758216083 652533967 /nfs/dbraw/zinc/53/39/67/652533967.db2.gz GYKPOOKNNSELQN-AWEZNQCLSA-N 1 0 383.480 2.017 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000631787939 652534044 /nfs/dbraw/zinc/53/40/44/652534044.db2.gz JATAAHSMHMPORZ-ZDUSSCGKSA-N 1 0 377.304 2.144 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000631787937 652534066 /nfs/dbraw/zinc/53/40/66/652534066.db2.gz JATAAHSMHMPORZ-CYBMUJFWSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631810582 652535717 /nfs/dbraw/zinc/53/57/17/652535717.db2.gz WDIDOZMOOHSQSW-ZWNOBZJWSA-N 1 0 399.314 2.479 20 0 GEADRO CCN(C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)[C@H]1CC[N@H+](CC)C1 ZINC000664748208 652537463 /nfs/dbraw/zinc/53/74/63/652537463.db2.gz BYHFTHRKVHJWJG-AWEZNQCLSA-N 1 0 387.933 2.369 20 0 GEADRO O=c1cc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc2ccc(Br)cn12 ZINC000631885548 652537943 /nfs/dbraw/zinc/53/79/43/652537943.db2.gz BSIWBVVIHMBEKN-DOMZBBRYSA-N 1 0 377.286 2.031 20 0 GEADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000631915965 652540709 /nfs/dbraw/zinc/54/07/09/652540709.db2.gz RCOLKJQRACVUQM-HOTGVXAUSA-N 1 0 386.926 2.399 20 0 GEADRO CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916248 652541127 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CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CC[C@H](C[NH3+])CC3)c(Cl)cc21 ZINC000631975878 652543648 /nfs/dbraw/zinc/54/36/48/652543648.db2.gz QUOAJIYPYVINDN-MQMHXKEQSA-N 1 0 385.917 2.045 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000631977300 652543799 /nfs/dbraw/zinc/54/37/99/652543799.db2.gz OITAUTCGLRUOCW-PMPSAXMXSA-N 1 0 382.517 2.478 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)NC(c2cccs2)c2cccs2)CC1 ZINC000631992305 652545552 /nfs/dbraw/zinc/54/55/52/652545552.db2.gz SFZYCPIONPGXOZ-UHFFFAOYSA-N 1 0 399.607 2.456 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000665130406 652545940 /nfs/dbraw/zinc/54/59/40/652545940.db2.gz CDHSSCISEPAGSN-LBPRGKRZSA-N 1 0 375.922 2.273 20 0 GEADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632052350 652546860 /nfs/dbraw/zinc/54/68/60/652546860.db2.gz NQHJGRHNRXFXKI-HNNXBMFYSA-N 1 0 381.523 2.381 20 0 GEADRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCNC(=O)c1ccc(Br)cn1 ZINC000665236612 652549474 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C[NH+](C)C[C@@]1(O)CCCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)C1 ZINC000588814684 652556245 /nfs/dbraw/zinc/55/62/45/652556245.db2.gz VZOTYSZFUPRRMC-SFHVURJKSA-N 1 0 384.929 2.171 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(Br)c1 ZINC000632368290 652559635 /nfs/dbraw/zinc/55/96/35/652559635.db2.gz FKJWSLDJVGBSTB-MFKMUULPSA-N 1 0 377.304 2.171 20 0 GEADRO C[NH+]1CCN(CCNC(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000665771791 652559680 /nfs/dbraw/zinc/55/96/80/652559680.db2.gz QYDJSTXQNHLCKX-UHFFFAOYSA-N 1 0 395.345 2.027 20 0 GEADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ncsc1Br ZINC000632408662 652560964 /nfs/dbraw/zinc/56/09/64/652560964.db2.gz PXNWEGYKSCFYLF-UHFFFAOYSA-N 1 0 382.349 2.152 20 0 GEADRO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000589189371 652561819 /nfs/dbraw/zinc/56/18/19/652561819.db2.gz OHIBYGHKPKEHLI-CQSZACIVSA-N 1 0 380.794 2.479 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000589212687 652562128 /nfs/dbraw/zinc/56/21/28/652562128.db2.gz JBPAWZKAXQIMJL-GFCCVEGCSA-N 1 0 386.290 2.360 20 0 GEADRO CN(CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)S(=O)(=O)c1cccs1 ZINC000759161666 652565170 /nfs/dbraw/zinc/56/51/70/652565170.db2.gz VUNFTANILXRIHX-UHFFFAOYSA-N 1 0 391.559 2.262 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCc2cccc(Cl)c2C1)NC[C@H]1CCCCO1 ZINC000666100676 652566845 /nfs/dbraw/zinc/56/68/45/652566845.db2.gz XRYHBTJGRQUQFD-HZPDHXFCSA-N 1 0 386.945 2.275 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)[C@@H](C)C1 ZINC000632566704 652567051 /nfs/dbraw/zinc/56/70/51/652567051.db2.gz KEUCJSURDBEOHP-RYUDHWBXSA-N 1 0 379.448 2.094 20 0 GEADRO CSC1(CNC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC000589628492 652570075 /nfs/dbraw/zinc/57/00/75/652570075.db2.gz XVQXGZRILYRCQP-ZDUSSCGKSA-N 1 0 383.480 2.159 20 0 GEADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000632641756 652571440 /nfs/dbraw/zinc/57/14/40/652571440.db2.gz UTVFYQWSOSZXLK-UHFFFAOYSA-N 1 0 376.473 2.177 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(F)c(F)cc3I)[C@@H]2C1 ZINC000590044036 652573385 /nfs/dbraw/zinc/57/33/85/652573385.db2.gz FYYVLHYAQSGTQE-ISVAXAHUSA-N 1 0 392.187 2.346 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000666377251 652573966 /nfs/dbraw/zinc/57/39/66/652573966.db2.gz ODBKDWSENBPFHW-JTQLQIEISA-N 1 0 382.456 2.036 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)CCO1 ZINC000666380084 652574333 /nfs/dbraw/zinc/57/43/33/652574333.db2.gz WCFJGYSKBOQRLE-SNVBAGLBSA-N 1 0 381.424 2.217 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000666427178 652576715 /nfs/dbraw/zinc/57/67/15/652576715.db2.gz PASSRVOMXWJTHG-LBPRGKRZSA-N 1 0 393.289 2.029 20 0 GEADRO CC(C)(C)n1cc(Br)c(C(=O)NCCCC[NH+]2CCOCC2)n1 ZINC000666470152 652577300 /nfs/dbraw/zinc/57/73/00/652577300.db2.gz VZCCNHISOUNTFW-UHFFFAOYSA-N 1 0 387.322 2.243 20 0 GEADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Br)c3nccn3c2)CCCO1 ZINC000632764732 652578714 /nfs/dbraw/zinc/57/87/14/652578714.db2.gz VIYJMRZNMGXFSH-ZDUSSCGKSA-N 1 0 395.301 2.328 20 0 GEADRO OCC1(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)COC1 ZINC000590747051 652579234 /nfs/dbraw/zinc/57/92/34/652579234.db2.gz HJVUONDDGRRBDE-AWEZNQCLSA-N 1 0 387.261 2.165 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCC[NH2+]C2CC2)ccc1Cl ZINC000666663091 652582781 /nfs/dbraw/zinc/58/27/81/652582781.db2.gz RGWTVIHILWUVBN-UHFFFAOYSA-N 1 0 388.921 2.244 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000633041133 652583083 /nfs/dbraw/zinc/58/30/83/652583083.db2.gz USZIXPMCIABALX-RQJHMYQMSA-N 1 0 378.629 2.128 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1Br ZINC000633044939 652583727 /nfs/dbraw/zinc/58/37/27/652583727.db2.gz HLESSUWAVSKXSJ-LBPRGKRZSA-N 1 0 398.301 2.291 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000666698315 652585007 /nfs/dbraw/zinc/58/50/07/652585007.db2.gz JALJRNXEAFPUQZ-OCCSQVGLSA-N 1 0 383.290 2.286 20 0 GEADRO CNc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1ccccc1Br)C2 ZINC000592113290 652587221 /nfs/dbraw/zinc/58/72/21/652587221.db2.gz OFLMNHRDHTYFPO-UHFFFAOYSA-N 1 0 390.285 2.668 20 0 GEADRO CC[N@H+](CCSC)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000592201187 652590957 /nfs/dbraw/zinc/59/09/57/652590957.db2.gz CTYWFZNDISJNPU-JTQLQIEISA-N 1 0 377.432 2.232 20 0 GEADRO [NH3+]C/C=C/CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000667106321 652591932 /nfs/dbraw/zinc/59/19/32/652591932.db2.gz NXHISKSKLTUMSQ-OWOJBTEDSA-N 1 0 383.168 2.422 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(Cc2c(F)ccc(I)c2F)CCO1 ZINC000592428775 652594331 /nfs/dbraw/zinc/59/43/31/652594331.db2.gz UIOAMASGHWWETQ-UFBFGSQYSA-N 1 0 382.192 2.117 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(Br)c2cccnc12 ZINC000592436014 652594793 /nfs/dbraw/zinc/59/47/93/652594793.db2.gz WEBVHEUFOQJTRF-HNNXBMFYSA-N 1 0 378.270 2.334 20 0 GEADRO CC[NH2+]CCCNC(=O)CCC(=O)c1ccc(I)cc1 ZINC000592458405 652596692 /nfs/dbraw/zinc/59/66/92/652596692.db2.gz GBLCTQSSRBOTSA-UHFFFAOYSA-N 1 0 388.249 2.370 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NCC2CC[NH2+]CC2)c1 ZINC000667243676 652598317 /nfs/dbraw/zinc/59/83/17/652598317.db2.gz AXOZFELTBYJSIY-UHFFFAOYSA-N 1 0 398.301 2.291 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1Cl)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000667238435 652598328 /nfs/dbraw/zinc/59/83/28/652598328.db2.gz GNSQFWGTVVEQSF-ZETCQYMHSA-N 1 0 378.629 2.048 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000592548047 652599524 /nfs/dbraw/zinc/59/95/24/652599524.db2.gz LPEGVZGFRJAGLK-GWCFXTLKSA-N 1 0 375.252 2.124 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667263275 652599457 /nfs/dbraw/zinc/59/94/57/652599457.db2.gz ZTQGYZFICINWME-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000592548356 652599618 /nfs/dbraw/zinc/59/96/18/652599618.db2.gz DGIHNQIOLNZPDK-CQSZACIVSA-N 1 0 379.869 2.441 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(Cl)cc(Br)c1F ZINC000592551345 652599787 /nfs/dbraw/zinc/59/97/87/652599787.db2.gz LQANRJNBCGYGQG-LLVKDONJSA-N 1 0 393.640 2.219 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCOc1cccc(Cl)c1Cl ZINC000592550335 652599842 /nfs/dbraw/zinc/59/98/42/652599842.db2.gz FNYUNZVTNFBTGX-LBPRGKRZSA-N 1 0 375.252 2.126 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCO1 ZINC000667402731 652603690 /nfs/dbraw/zinc/60/36/90/652603690.db2.gz LQLCERKLRIBMBE-JVXZTZIISA-N 1 0 380.659 2.160 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000667473071 652606944 /nfs/dbraw/zinc/60/69/44/652606944.db2.gz KPXLQSSNTUAKMS-CWSCBRNRSA-N 1 0 384.249 2.031 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667507510 652609277 /nfs/dbraw/zinc/60/92/77/652609277.db2.gz ZDJVFCCVCKLGQH-GFCCVEGCSA-N 1 0 384.274 2.045 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000667507531 652609290 /nfs/dbraw/zinc/60/92/90/652609290.db2.gz ZXIIUFZPCMGACJ-ZDUSSCGKSA-N 1 0 398.301 2.433 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)cc1Br ZINC000667515252 652609633 /nfs/dbraw/zinc/60/96/33/652609633.db2.gz IIFKQKXIRHXHFW-UHFFFAOYSA-N 1 0 384.274 2.126 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000667521428 652610167 /nfs/dbraw/zinc/61/01/67/652610167.db2.gz BVJPVXDAUDNUKJ-PHIMTYICSA-N 1 0 384.249 2.188 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000667533759 652610705 /nfs/dbraw/zinc/61/07/05/652610705.db2.gz WZQGUIZMCXPBOJ-UHFFFAOYSA-N 1 0 380.286 2.380 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC000667521525 652610879 /nfs/dbraw/zinc/61/08/79/652610879.db2.gz WZXLZUURYXUKQB-BETUJISGSA-N 1 0 380.286 2.357 20 0 GEADRO C[NH+]1CCC(CNC(=S)NCc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000760477422 652611011 /nfs/dbraw/zinc/61/10/11/652611011.db2.gz YZCQXRZLYSUEOR-UHFFFAOYSA-N 1 0 376.448 2.329 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667538453 652611156 /nfs/dbraw/zinc/61/11/56/652611156.db2.gz DURMEGRBHOYSRH-GXTWGEPZSA-N 1 0 380.286 2.215 20 0 GEADRO C[NH+]1CCC(CNC(=S)N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000760482424 652611434 /nfs/dbraw/zinc/61/14/34/652611434.db2.gz DONNPRHIGYSFKS-HNNXBMFYSA-N 1 0 380.945 2.251 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3nc4c(cccc4Br)[nH]3)C[C@H]12 ZINC000633759132 652612004 /nfs/dbraw/zinc/61/20/04/652612004.db2.gz VNSNGTYXWYTEEL-JFGNBEQYSA-N 1 0 378.274 2.204 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)n1 ZINC000633766574 652612350 /nfs/dbraw/zinc/61/23/50/652612350.db2.gz BCHQJVNIYHTQHN-XOKHGSTOSA-N 1 0 389.297 2.275 20 0 GEADRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1[C@@H](C)c1cc(Cl)ccc1Cl ZINC000667557935 652613251 /nfs/dbraw/zinc/61/32/51/652613251.db2.gz NSXZVNNRDWBHQC-UWVGGRQHSA-N 1 0 384.267 2.201 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000667584094 652614057 /nfs/dbraw/zinc/61/40/57/652614057.db2.gz VRPUPPHZTYNHCS-RYUDHWBXSA-N 1 0 386.265 2.163 20 0 GEADRO NS(=O)(=O)c1ccsc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000667598633 652614774 /nfs/dbraw/zinc/61/47/74/652614774.db2.gz YQIKJJFISUAMCZ-UHFFFAOYSA-N 1 0 397.547 2.197 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667645439 652616182 /nfs/dbraw/zinc/61/61/82/652616182.db2.gz QXVSIEAOOSUJCJ-ZETCQYMHSA-N 1 0 380.645 2.424 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C[C@H]1[NH3+] ZINC000667691453 652618209 /nfs/dbraw/zinc/61/82/09/652618209.db2.gz UIEZSFDHWGGDPU-RDDDGLTNSA-N 1 0 394.191 2.212 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000760855716 652626115 /nfs/dbraw/zinc/62/61/15/652626115.db2.gz BELKVQKDULCJLX-NSHDSACASA-N 1 0 389.930 2.339 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000668143478 652630322 /nfs/dbraw/zinc/63/03/22/652630322.db2.gz WVWZCEOWGTXMAT-AAEUAGOBSA-N 1 0 379.309 2.429 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000634117142 652631380 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COCC[N@@H+]1CC[C@@H](N2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000761253422 652638853 /nfs/dbraw/zinc/63/88/53/652638853.db2.gz ISKMSECJKVSTRD-PXAZEXFGSA-N 1 0 386.279 2.481 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3nn(C)cc3Br)C2)cc1 ZINC000634458630 652640069 /nfs/dbraw/zinc/64/00/69/652640069.db2.gz ZHFQRGGICOLAIF-AWEZNQCLSA-N 1 0 377.286 2.495 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000668419716 652641569 /nfs/dbraw/zinc/64/15/69/652641569.db2.gz KCFHQDOCJZBLJW-OAHLLOKOSA-N 1 0 395.345 2.395 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccccc2Br)C1 ZINC000668450681 652642439 /nfs/dbraw/zinc/64/24/39/652642439.db2.gz DFZZMBVUYZLEAR-ZDUSSCGKSA-N 1 0 382.302 2.054 20 0 GEADRO C[NH+](C)CCc1ccc(C(=O)Nc2ccncc2I)cc1 ZINC000594310926 652644784 /nfs/dbraw/zinc/64/47/84/652644784.db2.gz HBLDUEICELSEOR-UHFFFAOYSA-N 1 0 395.244 2.465 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)CC1=CCSC1)c1ccsc1 ZINC000668492896 652645054 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CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000637948417 652878768 /nfs/dbraw/zinc/87/87/68/652878768.db2.gz NAOGGOVFDWDXPB-YQQAZPJKSA-N 1 0 383.286 2.116 20 0 GEADRO Cc1cc(I)ccc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000599598303 652879235 /nfs/dbraw/zinc/87/92/35/652879235.db2.gz YIFZKOPURGWIIU-UHFFFAOYSA-N 1 0 389.237 2.229 20 0 GEADRO [NH3+]C[C@]1(C(=O)NCc2cc(Br)ccc2OC(F)F)CCCOC1 ZINC000637970095 652879820 /nfs/dbraw/zinc/87/98/20/652879820.db2.gz CTDPVAIHOVSHCE-OAHLLOKOSA-N 1 0 393.228 2.422 20 0 GEADRO Brc1cnc2c(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)cnn2c1 ZINC000638024375 652882124 /nfs/dbraw/zinc/88/21/24/652882124.db2.gz QEZVEZRRIQXQSF-MRXNPFEDSA-N 1 0 394.317 2.179 20 0 GEADRO COC1CCN(CC[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000766515798 652884083 /nfs/dbraw/zinc/88/40/83/652884083.db2.gz QZRZBVWTHGPHCT-ZDUSSCGKSA-N 1 0 376.469 2.444 20 0 GEADRO NS(=O)(=O)c1ccc(CNc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000638239753 652884206 /nfs/dbraw/zinc/88/42/06/652884206.db2.gz OUFAYIZQMPLRGZ-UHFFFAOYSA-N 1 0 377.535 2.495 20 0 GEADRO CS[C@H]1CN(C(=O)C2(C(=O)OC(C)(C)C)CCSCC2)C[C@H]1[NH+](C)C ZINC000599715508 652884767 /nfs/dbraw/zinc/88/47/67/652884767.db2.gz RBZLNCPNDQAVPJ-KGLIPLIRSA-N 1 0 388.599 2.346 20 0 GEADRO C[C@]1(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C[NH2+]CCO1 ZINC000638275823 652884859 /nfs/dbraw/zinc/88/48/59/652884859.db2.gz KLGQDHZHXCMFJA-CYBMUJFWSA-N 1 0 381.192 2.463 20 0 GEADRO C[C@]1(C(=O)NCc2cc(Br)ccc2Br)C[NH2+]CCO1 ZINC000638279937 652885222 /nfs/dbraw/zinc/88/52/22/652885222.db2.gz WTMBCYNXFLUAPW-CYBMUJFWSA-N 1 0 392.091 2.206 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000638319222 652885861 /nfs/dbraw/zinc/88/58/61/652885861.db2.gz UOCIYUOWVJILCF-UHFFFAOYSA-N 1 0 388.898 2.152 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3sc4ncccc4c3Cl)C2)nn1 ZINC000638339001 652886289 /nfs/dbraw/zinc/88/62/89/652886289.db2.gz BZOUAKQPGCZCDY-LLVKDONJSA-N 1 0 376.873 2.477 20 0 GEADRO Cc1cccc(CC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1Br ZINC000638345450 652886415 /nfs/dbraw/zinc/88/64/15/652886415.db2.gz ZQPPWGCNISHIIQ-OAHLLOKOSA-N 1 0 392.301 2.214 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2c(F)cncc2Br)CC1 ZINC000638341985 652886546 /nfs/dbraw/zinc/88/65/46/652886546.db2.gz ZPGFMAWPIDUJBD-ZFWWWQNUSA-N 1 0 386.265 2.342 20 0 GEADRO CC(C)C(=O)N1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638354766 652886835 /nfs/dbraw/zinc/88/68/35/652886835.db2.gz BFELVUFIEWTBKK-UHFFFAOYSA-N 1 0 380.290 2.228 20 0 GEADRO Brc1cnc2c(C[NH2+][C@@H]3CCCN(c4ncccn4)C3)cnn2c1 ZINC000638380220 652887458 /nfs/dbraw/zinc/88/74/58/652887458.db2.gz WSNHCGWRZSFYSD-CQSZACIVSA-N 1 0 388.273 2.040 20 0 GEADRO COc1ccc(Br)cc1C1(NC(=O)c2cnc(C[NH3+])nc2)CC1 ZINC000638369687 652887661 /nfs/dbraw/zinc/88/76/61/652887661.db2.gz INXQSMWCQVLIBX-UHFFFAOYSA-N 1 0 377.242 2.126 20 0 GEADRO Cc1c(C[NH3+])c(NC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)nn1C ZINC000638398767 652887932 /nfs/dbraw/zinc/88/79/32/652887932.db2.gz DTNLKWWOFPUQLT-YOEHRIQHSA-N 1 0 377.286 2.866 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)COc2ccc(Br)cn2)C1 ZINC000638394117 652888004 /nfs/dbraw/zinc/88/80/04/652888004.db2.gz YPQZPBXNNCCRJU-ILXRZTDVSA-N 1 0 398.301 2.110 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638401481 652888189 /nfs/dbraw/zinc/88/81/89/652888189.db2.gz BSLSHGAXDJGEPC-AWEZNQCLSA-N 1 0 382.302 2.136 20 0 GEADRO C[C@@]1(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C[NH2+]CCO1 ZINC000638407665 652888730 /nfs/dbraw/zinc/88/87/30/652888730.db2.gz HVKYVYCLJJMIEV-KRWDZBQOSA-N 1 0 378.270 2.194 20 0 GEADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000638440851 652889838 /nfs/dbraw/zinc/88/98/38/652889838.db2.gz WEYBNYJMFJRFSC-JSGCOSHPSA-N 1 0 377.229 2.424 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000638448079 652889867 /nfs/dbraw/zinc/88/98/67/652889867.db2.gz RIZKVBWZPVQLRY-INIZCTEOSA-N 1 0 379.551 2.397 20 0 GEADRO CO[C@@H](C[NH2+]CCCNC(=O)c1cccc(Br)c1)[C@H]1CCOC1 ZINC000638475645 652890859 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COc1ncc(Br)cc1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638558981 652894297 /nfs/dbraw/zinc/89/42/97/652894297.db2.gz ATYYVOINJKRFFY-LBPRGKRZSA-N 1 0 382.180 2.011 20 0 GEADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cc(Br)cnc2OC)C1(C)C ZINC000638559559 652894842 /nfs/dbraw/zinc/89/48/42/652894842.db2.gz FSTJOBKYRLVCQN-BLLLJJGKSA-N 1 0 386.290 2.001 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000638570393 652895389 /nfs/dbraw/zinc/89/53/89/652895389.db2.gz ZQROJEIXVBZENR-QWHCGFSZSA-N 1 0 399.563 2.158 20 0 GEADRO C[NH2+]CCOCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000638581429 652895747 /nfs/dbraw/zinc/89/57/47/652895747.db2.gz JHLGKENZYZWJCK-SNVBAGLBSA-N 1 0 379.682 2.222 20 0 GEADRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3ccc(S(N)(=O)=O)s3)C2)c1 ZINC000638611597 652898674 /nfs/dbraw/zinc/89/86/74/652898674.db2.gz IQSVQALDUSLGAB-CYBMUJFWSA-N 1 0 381.523 2.163 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)c1csc(-c2cc(Br)cs2)n1 ZINC000638617558 652899183 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GEADRO Brc1cnc2c(C[NH2+]CCCOCC3CCOCC3)cnn2c1 ZINC000638678292 652902755 /nfs/dbraw/zinc/90/27/55/652902755.db2.gz LJQBMRJWBOLFPR-UHFFFAOYSA-N 1 0 383.290 2.415 20 0 GEADRO COc1nsc(CNCC2(O)CC[NH+](C(C)C)CC2)c1Br ZINC000638739324 652904771 /nfs/dbraw/zinc/90/47/71/652904771.db2.gz RRPQBFOYZCUIBU-UHFFFAOYSA-N 1 0 378.336 2.239 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000766981556 652906763 /nfs/dbraw/zinc/90/67/63/652906763.db2.gz ZUIHIFZIJMUYMZ-CVEARBPZSA-N 1 0 385.302 2.052 20 0 GEADRO CN1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638802360 652906867 /nfs/dbraw/zinc/90/68/67/652906867.db2.gz VJEPXGGYYDLRGD-GOEBONIOSA-N 1 0 387.864 2.255 20 0 GEADRO CN(Cc1ccc(Br)cc1F)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000638828273 652908100 /nfs/dbraw/zinc/90/81/00/652908100.db2.gz JYTUGAYGHRWFFA-CYBMUJFWSA-N 1 0 396.264 2.376 20 0 GEADRO COCC1(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC[NH2+]CC1 ZINC000638831974 652908309 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C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000638934700 652914221 /nfs/dbraw/zinc/91/42/21/652914221.db2.gz ARMFKRMQNPKMSS-SCZZXKLOSA-N 1 0 385.287 2.441 20 0 GEADRO CCN(CCO)CC[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639055224 652918365 /nfs/dbraw/zinc/91/83/65/652918365.db2.gz VRMOJNCMJJEIHJ-ROUUACIJSA-N 1 0 384.362 2.488 20 0 GEADRO FC(F)C(F)(F)COCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639105531 652919047 /nfs/dbraw/zinc/91/90/47/652919047.db2.gz JDEHHWPTEHYAPS-UHFFFAOYSA-N 1 0 385.159 2.498 20 0 GEADRO C[N@H+](CCCNC(=O)C1CCC1)Cc1cnn2cc(Br)cnc12 ZINC000639117255 652920219 /nfs/dbraw/zinc/92/02/19/652920219.db2.gz GQGGKYNSIVTFDC-UHFFFAOYSA-N 1 0 380.290 2.230 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2ccns2)c1 ZINC000639166925 652924703 /nfs/dbraw/zinc/92/47/03/652924703.db2.gz WSEWBEGGNSBZGL-UHFFFAOYSA-N 1 0 390.328 2.282 20 0 GEADRO COc1nsc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1Br ZINC000639171184 652924771 /nfs/dbraw/zinc/92/47/71/652924771.db2.gz 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2.246 20 0 GEADRO CO[C@@H]1C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)[C@](C)(CO)C1 ZINC000640005464 653093206 /nfs/dbraw/zinc/09/32/06/653093206.db2.gz WSOJIRCXIFLVHX-GUYCJALGSA-N 1 0 375.296 2.124 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3sc(Br)cc3C2)C1 ZINC000676422021 653095273 /nfs/dbraw/zinc/09/52/73/653095273.db2.gz QQIWZEAPIKMBGT-LBPRGKRZSA-N 1 0 388.331 2.299 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000767927413 653096079 /nfs/dbraw/zinc/09/60/79/653096079.db2.gz KQZIDCDJHXCPOA-UONOGXRCSA-N 1 0 387.933 2.396 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000771176028 653099199 /nfs/dbraw/zinc/09/91/99/653099199.db2.gz TVKKTXCRWSKRND-ZDUSSCGKSA-N 1 0 384.322 2.300 20 0 GEADRO C[C@@H](CNC(=O)Nc1cc(N2CCOCC2)ccc1Br)[NH+](C)C ZINC000640232929 653104873 /nfs/dbraw/zinc/10/48/73/653104873.db2.gz BHYPYNJHGAUACG-LBPRGKRZSA-N 1 0 385.306 2.357 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCC(F)(F)Br ZINC000805248236 653107268 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GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000678106175 653127113 /nfs/dbraw/zinc/12/71/13/653127113.db2.gz FHKVNIYJNZDQCZ-PBFPGSCMSA-N 1 0 394.313 2.321 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000678106173 653127332 /nfs/dbraw/zinc/12/73/32/653127332.db2.gz FHKVNIYJNZDQCZ-AHIWAGSCSA-N 1 0 394.313 2.321 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000768847241 653131540 /nfs/dbraw/zinc/13/15/40/653131540.db2.gz QLNBWLJQKIVHEK-NWDGAFQWSA-N 1 0 379.917 2.438 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)CCCO ZINC000771894008 653131702 /nfs/dbraw/zinc/13/17/02/653131702.db2.gz UKNTUOPUTHLNAZ-CYBMUJFWSA-N 1 0 377.938 2.093 20 0 GEADRO Ic1cc2ncnc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2s1 ZINC000601980338 653136051 /nfs/dbraw/zinc/13/60/51/653136051.db2.gz IUFLEUFYHQJEBR-WCBMZHEXSA-N 1 0 386.262 2.484 20 0 GEADRO CC1CCN(C(=O)Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)CC1 ZINC000640776654 653137887 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CC(C)CNC(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640886479 653144178 /nfs/dbraw/zinc/14/41/78/653144178.db2.gz PQQWAFCAPLJPOA-XHDPSFHLSA-N 1 0 380.290 2.422 20 0 GEADRO COC[C@@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640905616 653145588 /nfs/dbraw/zinc/14/55/88/653145588.db2.gz AKMICCBRXLKCGF-NEPJUHHUSA-N 1 0 396.289 2.065 20 0 GEADRO COCC[C@@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640900749 653145616 /nfs/dbraw/zinc/14/56/16/653145616.db2.gz BSYWCWHIWDOGME-VXGBXAGGSA-N 1 0 396.289 2.147 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2cn3cc(Br)ccc3n2)nn1)C1CCOCC1 ZINC000640958573 653147343 /nfs/dbraw/zinc/14/73/43/653147343.db2.gz MSCHEFSQMKXZBL-MRXNPFEDSA-N 1 0 391.273 2.163 20 0 GEADRO Brc1cc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)cc2c1OCO2 ZINC000640986528 653149047 /nfs/dbraw/zinc/14/90/47/653149047.db2.gz FOVGSQLNNFOHFX-LLVKDONJSA-N 1 0 379.258 2.360 20 0 GEADRO COCC[C@H]([NH3+])Cc1cn(Cc2ccc(OC)c(OC)c2Br)nn1 ZINC000640990368 653149439 /nfs/dbraw/zinc/14/94/39/653149439.db2.gz WUPQKNKBAUYWBI-LBPRGKRZSA-N 1 0 399.289 2.012 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@@H](n2ccnc2)C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000602135645 653149433 /nfs/dbraw/zinc/14/94/33/653149433.db2.gz LICNNSJJBBZEFU-BFHYXJOUSA-N 1 0 376.448 2.415 20 0 GEADRO [NH3+][C@H](c1cn(Cc2nnc(C3CC3)o2)nn1)c1ccc(Br)cc1 ZINC000640990822 653149739 /nfs/dbraw/zinc/14/97/39/653149739.db2.gz ALLXBVXCUSCDMW-AWEZNQCLSA-N 1 0 375.230 2.397 20 0 GEADRO COC(=O)CN(Cc1cccc(Br)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602147773 653151207 /nfs/dbraw/zinc/15/12/07/653151207.db2.gz JKYDSHRLHAXKDM-AWEZNQCLSA-N 1 0 383.286 2.293 20 0 GEADRO Brc1cccc(Cc2noc(Cn3cc(C[NH2+]C4CC4)nn3)n2)c1 ZINC000641041075 653152321 /nfs/dbraw/zinc/15/23/21/653152321.db2.gz IGIYGVSVFDRKFL-UHFFFAOYSA-N 1 0 389.257 2.315 20 0 GEADRO CC(C)[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1F ZINC000679768885 653152571 /nfs/dbraw/zinc/15/25/71/653152571.db2.gz WEBNVOAHHZEPPR-QGZVFWFLSA-N 1 0 391.940 2.343 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCN(c2cccc(Br)c2)CC1 ZINC000641044529 653152873 /nfs/dbraw/zinc/15/28/73/653152873.db2.gz XNGZHINPACMROG-OAHLLOKOSA-N 1 0 381.318 2.423 20 0 GEADRO CC[C@H]([NH3+])c1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641043585 653152989 /nfs/dbraw/zinc/15/29/89/653152989.db2.gz UEYRXWXJCKGFRM-LBPRGKRZSA-N 1 0 377.246 2.473 20 0 GEADRO C[C@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CC[NH+](C)CC1 ZINC000679887092 653156996 /nfs/dbraw/zinc/15/69/96/653156996.db2.gz KMTSNMDSLRSDTM-JTQLQIEISA-N 1 0 396.285 2.240 20 0 GEADRO CC(C)c1cc(NC[C@H](O)C(F)(F)F)nc(NC[C@H](O)C(F)(F)F)[nH+]1 ZINC000772641961 653157631 /nfs/dbraw/zinc/15/76/31/653157631.db2.gz DKLUWAHYMUDPMA-IUCAKERBSA-N 1 0 376.301 2.270 20 0 GEADRO Cc1c(Br)cccc1Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641117803 653158505 /nfs/dbraw/zinc/15/85/05/653158505.db2.gz ABCUSZDMPJOLNF-UHFFFAOYSA-N 1 0 378.318 2.363 20 0 GEADRO [NH3+]CCOCc1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000641122388 653159417 /nfs/dbraw/zinc/15/94/17/653159417.db2.gz FASWPKUDZSGBRB-UHFFFAOYSA-N 1 0 377.189 2.166 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000769485619 653159840 /nfs/dbraw/zinc/15/98/40/653159840.db2.gz VVQLYABBLZKYAP-VHDGCEQUSA-N 1 0 388.965 2.119 20 0 GEADRO CCCOc1ccc(Br)cc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641135521 653161914 /nfs/dbraw/zinc/16/19/14/653161914.db2.gz VYJCZJCZKHFPAC-UHFFFAOYSA-N 1 0 394.317 2.283 20 0 GEADRO CC(C)Cn1ncnc1Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641156553 653162836 /nfs/dbraw/zinc/16/28/36/653162836.db2.gz AGECJDKKIKSBPQ-INIZCTEOSA-N 1 0 390.289 2.385 20 0 GEADRO Cc1nnc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1C1CC1 ZINC000641156504 653163040 /nfs/dbraw/zinc/16/30/40/653163040.db2.gz JQVSHVDXYSSASJ-MRXNPFEDSA-N 1 0 388.273 2.372 20 0 GEADRO CC(C)n1ncnc1Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641165814 653164991 /nfs/dbraw/zinc/16/49/91/653164991.db2.gz ICRAKSKDOYVMKT-HNNXBMFYSA-N 1 0 376.262 2.309 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@H]2CCNC(=O)CC2)nn1)c1ccc(Br)cc1 ZINC000641172842 653165330 /nfs/dbraw/zinc/16/53/30/653165330.db2.gz YHJCZCZALKVNSS-BDJLRTHQSA-N 1 0 378.274 2.005 20 0 GEADRO Cn1c2cc(Br)ccc2nc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641176193 653166266 /nfs/dbraw/zinc/16/62/66/653166266.db2.gz XPNQFPNCIKPUOY-NSHDSACASA-N 1 0 375.274 2.128 20 0 GEADRO Cc1noc(CCCn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000641187113 653167199 /nfs/dbraw/zinc/16/71/99/653167199.db2.gz FEODQRHTAORSJL-HNNXBMFYSA-N 1 0 377.246 2.413 20 0 GEADRO Ic1cnn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000772825591 653167893 /nfs/dbraw/zinc/16/78/93/653167893.db2.gz CIGSUVSMWOIKMK-WFASDCNBSA-N 1 0 386.281 2.394 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)COc2c(Cl)cccc2Cl)nn1)[C@H]1CCCO1 ZINC000641200500 653169631 /nfs/dbraw/zinc/16/96/31/653169631.db2.gz BEJNYDJQIFPESA-VCTAVGKDSA-N 1 0 387.267 2.204 20 0 GEADRO Cn1cc(I)c(C(=O)Nc2ccccc2CC[NH+](C)C)n1 ZINC000602312294 653169603 /nfs/dbraw/zinc/16/96/03/653169603.db2.gz BODUWRKDHPBAOA-UHFFFAOYSA-N 1 0 398.248 2.381 20 0 GEADRO CCc1nnc([C@@H](C)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)[nH]1 ZINC000641209356 653170300 /nfs/dbraw/zinc/17/03/00/653170300.db2.gz URUULZDDGZVOJZ-OTYXRUKQSA-N 1 0 376.262 2.379 20 0 GEADRO C[C@](O)(C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1)C1CC1 ZINC000641231804 653172245 /nfs/dbraw/zinc/17/22/45/653172245.db2.gz ODOBAMFXSBXAAB-UAGQMJEPSA-N 1 0 395.301 2.001 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CSC(C)(C)C)c1 ZINC000772958672 653174068 /nfs/dbraw/zinc/17/40/68/653174068.db2.gz JNXAUYMONIZPPW-CHWSQXEVSA-N 1 0 387.571 2.432 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)CSC(C)(C)C)c1 ZINC000772958674 653174294 /nfs/dbraw/zinc/17/42/94/653174294.db2.gz JNXAUYMONIZPPW-OLZOCXBDSA-N 1 0 387.571 2.432 20 0 GEADRO O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000680934136 653174347 /nfs/dbraw/zinc/17/43/47/653174347.db2.gz IRVNJYMKAZXWJU-SJORKVTESA-N 1 0 381.314 2.415 20 0 GEADRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)CCCO2 ZINC000772962176 653174529 /nfs/dbraw/zinc/17/45/29/653174529.db2.gz YQUNYJTZFMWVMU-INIZCTEOSA-N 1 0 388.917 2.114 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000681052730 653176480 /nfs/dbraw/zinc/17/64/80/653176480.db2.gz NXHHSNBBENHWSX-OLZOCXBDSA-N 1 0 378.464 2.219 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCS(=O)(=O)CC1CC1 ZINC000773064195 653178960 /nfs/dbraw/zinc/17/89/60/653178960.db2.gz FKNXDTHSRDFTBG-LBPRGKRZSA-N 1 0 388.917 2.480 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)c(F)cc1Br ZINC000806919751 653179094 /nfs/dbraw/zinc/17/90/94/653179094.db2.gz TWWJGCYDGVWLKH-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO CN(Cc1ccccc1OC(F)(F)F)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602437538 653181192 /nfs/dbraw/zinc/18/11/92/653181192.db2.gz BOFQVGSAENVKHS-RUZDIDTESA-N 1 0 378.416 2.044 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CC[NH2+]CC1 ZINC000602443845 653181710 /nfs/dbraw/zinc/18/17/10/653181710.db2.gz XJEBTHCJBKJYOD-RUZDIDTESA-N 1 0 381.498 2.312 20 0 GEADRO CSCC[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000807052215 653182693 /nfs/dbraw/zinc/18/26/93/653182693.db2.gz RXNLPSJJDJHFKK-CQSZACIVSA-N 1 0 385.961 2.488 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000602494402 653186145 /nfs/dbraw/zinc/18/61/45/653186145.db2.gz UCNCWKRJEZBEEZ-MPGHIAIKSA-N 1 0 395.297 2.090 20 0 GEADRO C[S@](=O)C1(C(=O)NCc2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000602513750 653187451 /nfs/dbraw/zinc/18/74/51/653187451.db2.gz IFVQODXVLUMOMZ-NRFANRHFSA-N 1 0 393.734 2.219 20 0 GEADRO Cc1c(I)cc(Br)cc1C(=O)N(C)CC[NH3+] ZINC000602512462 653187616 /nfs/dbraw/zinc/18/76/16/653187616.db2.gz YOBKDAHXDVOUMA-UHFFFAOYSA-N 1 0 397.054 2.393 20 0 GEADRO C[S@](=O)C1(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC[NH2+]CC1 ZINC000602527920 653188129 /nfs/dbraw/zinc/18/81/29/653188129.db2.gz NFVFIGJKOBMEAE-QHCPKHFHSA-N 1 0 375.321 2.379 20 0 GEADRO COC(=O)[C@@]1(NC(=O)CCCC[NH3+])CCc2cc(Br)ccc2C1 ZINC000602543934 653190067 /nfs/dbraw/zinc/19/00/67/653190067.db2.gz MXCGOVSUNBXLPG-QGZVFWFLSA-N 1 0 383.286 2.095 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)nc1Br ZINC000807354161 653190751 /nfs/dbraw/zinc/19/07/51/653190751.db2.gz GMICRQBIQFXRDA-CHWSQXEVSA-N 1 0 395.301 2.176 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000602548016 653190756 /nfs/dbraw/zinc/19/07/56/653190756.db2.gz VWBRHPBSBIUPKS-CYBMUJFWSA-N 1 0 381.270 2.498 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000681800005 653192102 /nfs/dbraw/zinc/19/21/02/653192102.db2.gz DITOOQTUAZDWHT-HUUCEWRRSA-N 1 0 382.302 2.168 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000681800095 653192177 /nfs/dbraw/zinc/19/21/77/653192177.db2.gz IFAPCBPIWRYSMV-HBNTYKKESA-N 1 0 388.331 2.228 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000807394200 653192647 /nfs/dbraw/zinc/19/26/47/653192647.db2.gz CUCGFRWIATZZJT-ZDUSSCGKSA-N 1 0 383.290 2.082 20 0 GEADRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccc(I)s1 ZINC000602605319 653194358 /nfs/dbraw/zinc/19/43/58/653194358.db2.gz ZVQJEIHJUCJJIL-SNVBAGLBSA-N 1 0 385.292 2.410 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)nc1Br ZINC000807453434 653195713 /nfs/dbraw/zinc/19/57/13/653195713.db2.gz NMDIYJFGTAZFPS-OLZOCXBDSA-N 1 0 395.301 2.176 20 0 GEADRO CN(CC(F)(F)Br)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000807530457 653198422 /nfs/dbraw/zinc/19/84/22/653198422.db2.gz JTBSWMXXQHFNIC-UHFFFAOYSA-N 1 0 378.217 2.133 20 0 GEADRO OCCOC1(C[NH2+]Cc2ccc(I)s2)CCOCC1 ZINC000602656653 653198860 /nfs/dbraw/zinc/19/88/60/653198860.db2.gz CUGUNSFFUWDGMF-UHFFFAOYSA-N 1 0 397.278 2.000 20 0 GEADRO Cn1c(Cl)nc(Cl)c1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000773428327 653199013 /nfs/dbraw/zinc/19/90/13/653199013.db2.gz YNBUZNLSMOKTBJ-UHFFFAOYSA-N 1 0 393.296 2.267 20 0 GEADRO CN(C(=O)c1ncsc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000807592483 653199710 /nfs/dbraw/zinc/19/97/10/653199710.db2.gz CXVYQLMMFNTGJN-GFCCVEGCSA-N 1 0 387.347 2.146 20 0 GEADRO COC(=O)c1csc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000602709371 653201866 /nfs/dbraw/zinc/20/18/66/653201866.db2.gz SLQABQIVCKMOII-UHFFFAOYSA-N 1 0 398.282 2.212 20 0 GEADRO O=C1C[C@H](C[NH2+]Cc2ccc(I)s2)CN1C1CC1 ZINC000602710160 653201920 /nfs/dbraw/zinc/20/19/20/653201920.db2.gz FLQFDBOGPIBOHL-SECBINFHSA-N 1 0 376.263 2.453 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1sc(N2CCCC2)nc1Cl ZINC000770173524 653202337 /nfs/dbraw/zinc/20/23/37/653202337.db2.gz NUNWHJJRONBIRI-ZDUSSCGKSA-N 1 0 385.965 2.153 20 0 GEADRO CCOC(=O)[C@]1(C[NH2+]Cc2c(F)cncc2Br)CCCOC1 ZINC000602743324 653203864 /nfs/dbraw/zinc/20/38/64/653203864.db2.gz FCDBDYRJIGBPLY-HNNXBMFYSA-N 1 0 375.238 2.433 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682034985 653205309 /nfs/dbraw/zinc/20/53/09/653205309.db2.gz ORFYLPUPUGVEPN-CYBMUJFWSA-N 1 0 384.318 2.165 20 0 GEADRO CN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC000602767651 653205666 /nfs/dbraw/zinc/20/56/66/653205666.db2.gz IEJXXFBBWAUYMN-INIZCTEOSA-N 1 0 390.281 2.457 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000641442965 653206612 /nfs/dbraw/zinc/20/66/12/653206612.db2.gz XUQZUQIIIIZMJA-GHMZBOCLSA-N 1 0 382.404 2.355 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1nn(C)cc1I ZINC000602804978 653207625 /nfs/dbraw/zinc/20/76/25/653207625.db2.gz IUPZZMBYUWSVSQ-NSHDSACASA-N 1 0 392.285 2.265 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1Br ZINC000682353171 653208447 /nfs/dbraw/zinc/20/84/47/653208447.db2.gz VFDNVXPAHVSBOD-ZDUSSCGKSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1CS(=O)(=O)C1 ZINC000682501037 653215616 /nfs/dbraw/zinc/21/56/16/653215616.db2.gz LGDMNHLQOBFPSV-NSHDSACASA-N 1 0 389.315 2.191 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000773950342 653218683 /nfs/dbraw/zinc/21/86/83/653218683.db2.gz TVDSSAOMUIVSSD-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000682613527 653220226 /nfs/dbraw/zinc/22/02/26/653220226.db2.gz JGLIJBPYDWSLRS-QWRGUYRKSA-N 1 0 379.345 2.337 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2cccnc2Br)CC1 ZINC000774022130 653220731 /nfs/dbraw/zinc/22/07/31/653220731.db2.gz ZLTMWWUOSGZRON-UHFFFAOYSA-N 1 0 384.318 2.392 20 0 GEADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccc(C)cc2Br)CCCOC1 ZINC000770701247 653221478 /nfs/dbraw/zinc/22/14/78/653221478.db2.gz MWJRGYMFSRZOTR-QGZVFWFLSA-N 1 0 399.285 2.398 20 0 GEADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccccc2Br)CCCOC1 ZINC000770703449 653221665 /nfs/dbraw/zinc/22/16/65/653221665.db2.gz CGVLWKQXRKNETJ-MRXNPFEDSA-N 1 0 385.258 2.090 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2c(Br)c(C)nn2C)C[C@@H]1[NH+](C)C ZINC000603023106 653222040 /nfs/dbraw/zinc/22/20/40/653222040.db2.gz DHGWDNZKEQUASU-UWVGGRQHSA-N 1 0 376.324 2.000 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000774078589 653223348 /nfs/dbraw/zinc/22/33/48/653223348.db2.gz RKAMWBQFFKFKMH-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000774090814 653223860 /nfs/dbraw/zinc/22/38/60/653223860.db2.gz JZOQZIWWHKAHAL-LBPRGKRZSA-N 1 0 385.306 2.184 20 0 GEADRO C[C@H](CNC(=O)c1cn(C)nc1-c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000682807137 653223961 /nfs/dbraw/zinc/22/39/61/653223961.db2.gz RCBGYKPBPJBWLL-GFCCVEGCSA-N 1 0 381.933 2.168 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000774163202 653227231 /nfs/dbraw/zinc/22/72/31/653227231.db2.gz OFIYNEUVJIDYEF-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000682953565 653227320 /nfs/dbraw/zinc/22/73/20/653227320.db2.gz LHQXKULVEIHOIC-AWEZNQCLSA-N 1 0 399.314 2.115 20 0 GEADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCCCN(C)CC[NH+](C)C)c1 ZINC000808334496 653227667 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CC(C)([NH3+])CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000641805490 653234300 /nfs/dbraw/zinc/23/43/00/653234300.db2.gz FBAABQYSOFOMMM-LBPRGKRZSA-N 1 0 376.906 2.161 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000641822053 653234653 /nfs/dbraw/zinc/23/46/53/653234653.db2.gz MPDVFAVTKKFCQH-UHFFFAOYSA-N 1 0 380.645 2.424 20 0 GEADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC000808783972 653235099 /nfs/dbraw/zinc/23/50/99/653235099.db2.gz WEKRBIZNOMMBIM-BMGDILEWSA-N 1 0 384.929 2.350 20 0 GEADRO CC(C)C[C@H](Nc1cc(Br)cnn1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000631345556 653235284 /nfs/dbraw/zinc/23/52/84/653235284.db2.gz NWBJAYVLIPIPST-KBPBESRZSA-N 1 0 384.322 2.228 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000641999687 653236700 /nfs/dbraw/zinc/23/67/00/653236700.db2.gz FISGXGDGHRLDJU-AWEZNQCLSA-N 1 0 394.313 2.404 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000683662082 653236902 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CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000685610322 653308843 /nfs/dbraw/zinc/30/88/43/653308843.db2.gz LVHSNJNYXVJOJP-GFCCVEGCSA-N 1 0 383.436 2.421 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000809861046 653311209 /nfs/dbraw/zinc/31/12/09/653311209.db2.gz LKLJOSRSVDZQFT-NSHDSACASA-N 1 0 381.420 2.194 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000685666244 653311607 /nfs/dbraw/zinc/31/16/07/653311607.db2.gz CQRWABJCKHBNOK-CABCVRRESA-N 1 0 391.331 2.150 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000874363506 653312213 /nfs/dbraw/zinc/31/22/13/653312213.db2.gz UNFLCJNOTRJIQB-ZIAGYGMSSA-N 1 0 384.249 2.222 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000874363973 653312262 /nfs/dbraw/zinc/31/22/62/653312262.db2.gz BXXQXLNWFDKCTQ-CABCVRRESA-N 1 0 392.297 2.033 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000874364123 653312891 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377.897 2.488 20 0 GEADRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3sccc3Br)C[C@@]2(C)C1 ZINC000706203010 653321796 /nfs/dbraw/zinc/32/17/96/653321796.db2.gz MEBOSACFOIJSJA-CHWSQXEVSA-N 1 0 379.345 2.473 20 0 GEADRO CSC1(CNS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CC[NH+](C)CC1 ZINC000810084277 653322604 /nfs/dbraw/zinc/32/26/04/653322604.db2.gz XJHZYYCCSFCCPJ-UHFFFAOYSA-N 1 0 383.583 2.175 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000810091230 653323869 /nfs/dbraw/zinc/32/38/69/653323869.db2.gz LKLJOSRSVDZQFT-LLVKDONJSA-N 1 0 381.420 2.194 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1 ZINC000714337336 653324212 /nfs/dbraw/zinc/32/42/12/653324212.db2.gz IDGQXKTWYKKTLM-UHFFFAOYSA-N 1 0 375.210 2.351 20 0 GEADRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCc1ncc(Br)s1 ZINC000714943440 653324903 /nfs/dbraw/zinc/32/49/03/653324903.db2.gz LWWYCDXXRDPHFY-IINYFYTJSA-N 1 0 384.299 2.454 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000715066921 653324948 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CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000777848752 653409498 /nfs/dbraw/zinc/40/94/98/653409498.db2.gz SJASVVYWHODQIX-LLVKDONJSA-N 1 0 395.294 2.359 20 0 GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859121001 653409591 /nfs/dbraw/zinc/40/95/91/653409591.db2.gz PDUDMKKGJHTIMI-NSHDSACASA-N 1 0 381.420 2.196 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCC2)cc1Cl ZINC000859123913 653409901 /nfs/dbraw/zinc/40/99/01/653409901.db2.gz SQTPCERWODYFBM-UHFFFAOYSA-N 1 0 375.878 2.281 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2scnc2Br)CC1 ZINC000777860274 653409944 /nfs/dbraw/zinc/40/99/44/653409944.db2.gz QJOHCNXICFPXDY-GFCCVEGCSA-N 1 0 387.347 2.148 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)nc1F ZINC000859126916 653410432 /nfs/dbraw/zinc/41/04/32/653410432.db2.gz LZUSYRCVCQDMAT-UHFFFAOYSA-N 1 0 394.310 2.480 20 0 GEADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000811933348 653413037 /nfs/dbraw/zinc/41/30/37/653413037.db2.gz MAJLKLOMPYPWSQ-HWIKDYBBSA-N 1 0 385.599 2.188 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)nc1F ZINC000859157629 653414097 /nfs/dbraw/zinc/41/40/97/653414097.db2.gz XATUCVGTDRKTGK-QWRGUYRKSA-N 1 0 392.294 2.231 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)nc1F ZINC000859157630 653414137 /nfs/dbraw/zinc/41/41/37/653414137.db2.gz XATUCVGTDRKTGK-WDEREUQCSA-N 1 0 392.294 2.231 20 0 GEADRO C[N@H+](C[C@@H]1CCOC1)Cn1c2ccc(I)cc2oc1=O ZINC000777964918 653414799 /nfs/dbraw/zinc/41/47/99/653414799.db2.gz UVRPIYFYVOXEAV-JTQLQIEISA-N 1 0 388.205 2.125 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000837224976 653414972 /nfs/dbraw/zinc/41/49/72/653414972.db2.gz INSFXJCJWSWDJK-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(Cl)ccnc1Cl ZINC000778002253 653418252 /nfs/dbraw/zinc/41/82/52/653418252.db2.gz YBWVGMARMGQDEK-LBPRGKRZSA-N 1 0 394.324 2.310 20 0 GEADRO C[C@H]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)[C@@H](C)[C@H]1[NH3+] ZINC000837304649 653425825 /nfs/dbraw/zinc/42/58/25/653425825.db2.gz HOGPAZCHRZSQSU-PGUXBMHVSA-N 1 0 378.274 2.228 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)/C=C/c2csc(C(F)(F)F)c2)C1 ZINC000876516681 653433360 /nfs/dbraw/zinc/43/33/60/653433360.db2.gz CIQFWPVRPBKHFX-PCAWENJQSA-N 1 0 375.416 2.094 20 0 GEADRO CSc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000876512168 653433477 /nfs/dbraw/zinc/43/34/77/653433477.db2.gz HRXKQELVAACEKV-YVARQFDVSA-N 1 0 379.551 2.154 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876557004 653435689 /nfs/dbraw/zinc/43/56/89/653435689.db2.gz DKTUCJDKRLPWLE-XHDPSFHLSA-N 1 0 386.265 2.102 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876577463 653436570 /nfs/dbraw/zinc/43/65/70/653436570.db2.gz ZPRLWUSCEZUVBL-IAQYHMDHSA-N 1 0 388.270 2.225 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc(Br)cc1 ZINC000876597461 653437093 /nfs/dbraw/zinc/43/70/93/653437093.db2.gz ZEWJBFSTTMLORH-GVXVVHGQSA-N 1 0 391.212 2.010 20 0 GEADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876611338 653437642 /nfs/dbraw/zinc/43/76/42/653437642.db2.gz DLIMRKKHIQGUFG-ABAIWWIYSA-N 1 0 388.270 2.225 20 0 GEADRO [NH3+]C[C@]1(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)CCCOC1 ZINC000876629367 653438660 /nfs/dbraw/zinc/43/86/60/653438660.db2.gz ZVQQQALSRPKTNQ-NVXWUHKLSA-N 1 0 383.286 2.105 20 0 GEADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000876629361 653438731 /nfs/dbraw/zinc/43/87/31/653438731.db2.gz ZSYKLBOWTAZBOV-YLQAJVPDSA-N 1 0 383.286 2.116 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876634034 653439111 /nfs/dbraw/zinc/43/91/11/653439111.db2.gz JPHWFBRTWQWWBI-VGVVRCBHSA-N 1 0 380.286 2.368 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2c(Br)nc3n2CCCC3)CCSC1 ZINC000837456925 653439925 /nfs/dbraw/zinc/43/99/25/653439925.db2.gz SXOCZTDAIZEFLL-HNNXBMFYSA-N 1 0 387.347 2.149 20 0 GEADRO COc1cc(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc(Br)c1OC ZINC000876637927 653440201 /nfs/dbraw/zinc/44/02/01/653440201.db2.gz VZHUXURDOQMBEP-GWCFXTLKSA-N 1 0 375.238 2.030 20 0 GEADRO COc1cc(Br)c(CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1OC ZINC000876642446 653440883 /nfs/dbraw/zinc/44/08/83/653440883.db2.gz AYWVVIIOAJWEOP-YMTOWFKASA-N 1 0 375.238 2.030 20 0 GEADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000876641793 653440951 /nfs/dbraw/zinc/44/09/51/653440951.db2.gz SWIRRQDIQHXZHV-SDEBIZQBSA-N 1 0 390.285 2.262 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1(F)F ZINC000876734798 653444729 /nfs/dbraw/zinc/44/47/29/653444729.db2.gz AJOQQMGLIDZZID-ZLKJLUDKSA-N 1 0 388.256 2.232 20 0 GEADRO CON(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000812867437 653445110 /nfs/dbraw/zinc/44/51/10/653445110.db2.gz DBJUBSVNJRQGAS-ZDUSSCGKSA-N 1 0 391.295 2.465 20 0 GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876778131 653447101 /nfs/dbraw/zinc/44/71/01/653447101.db2.gz XGRBXNNQELYDPH-YOEHRIQHSA-N 1 0 398.320 2.477 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cnc2Br)CC1 ZINC000812968608 653448431 /nfs/dbraw/zinc/44/84/31/653448431.db2.gz RLTSQZIYAYEQBL-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1 ZINC000876832009 653449714 /nfs/dbraw/zinc/44/97/14/653449714.db2.gz MTRRAMOEZIOVLW-CHWSQXEVSA-N 1 0 387.933 2.193 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(SC(F)(F)F)nc1)C[NH+]1CCN(C)CC1 ZINC000859360375 653450064 /nfs/dbraw/zinc/45/00/64/653450064.db2.gz YGUUIQMFWGBPTQ-LBPRGKRZSA-N 1 0 376.448 2.307 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc2c(ccnc2Cl)s1 ZINC000876835031 653450527 /nfs/dbraw/zinc/45/05/27/653450527.db2.gz RFMVTYFAFDZTMA-NSHDSACASA-N 1 0 380.901 2.409 20 0 GEADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000859364702 653450727 /nfs/dbraw/zinc/45/07/27/653450727.db2.gz OPUJLRFXXCJEFM-UHFFFAOYSA-N 1 0 382.302 2.019 20 0 GEADRO CSc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000876847416 653450952 /nfs/dbraw/zinc/45/09/52/653450952.db2.gz KLWMYFASVPDRNQ-ZDUSSCGKSA-N 1 0 384.343 2.291 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)cc1Br ZINC000778632842 653451218 /nfs/dbraw/zinc/45/12/18/653451218.db2.gz VTIFOLABPONAHJ-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000812992283 653452013 /nfs/dbraw/zinc/45/20/13/653452013.db2.gz ZVAMSAIIXFWWSN-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000876892997 653452238 /nfs/dbraw/zinc/45/22/38/653452238.db2.gz HBOLOKZMILLYAF-ODMGMZKOSA-N 1 0 392.297 2.004 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(Br)cnc3F)CC2)C1 ZINC000876921202 653454606 /nfs/dbraw/zinc/45/46/06/653454606.db2.gz MINSFTODXYOLNL-GXTWGEPZSA-N 1 0 386.265 2.342 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Br)c1 ZINC000876934650 653454970 /nfs/dbraw/zinc/45/49/70/653454970.db2.gz HZDDJCALFKTIDV-HOTGVXAUSA-N 1 0 394.313 2.417 20 0 GEADRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000876942274 653455675 /nfs/dbraw/zinc/45/56/75/653455675.db2.gz WNOJUMYUXDXHRW-ZBFHGGJFSA-N 1 0 396.329 2.275 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2c2cccc(Br)c2)C1(F)F ZINC000876970768 653457481 /nfs/dbraw/zinc/45/74/81/653457481.db2.gz YHPFDJHXMFXWLT-FRRDWIJNSA-N 1 0 375.213 2.189 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000778828223 653458895 /nfs/dbraw/zinc/45/88/95/653458895.db2.gz WJOOZUUYJYEXBP-UHFFFAOYSA-N 1 0 399.285 2.301 20 0 GEADRO CCN(CC[NH3+])C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000877007801 653459420 /nfs/dbraw/zinc/45/94/20/653459420.db2.gz FQYADGXOZBZDIC-CYBMUJFWSA-N 1 0 387.933 2.181 20 0 GEADRO Nc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc(Br)n1 ZINC000877017788 653460387 /nfs/dbraw/zinc/46/03/87/653460387.db2.gz IIKVYHGQEUBSQQ-RKDXNWHRSA-N 1 0 381.196 2.026 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+]Cc1nc(Cl)ccc1Br ZINC000877021231 653460924 /nfs/dbraw/zinc/46/09/24/653460924.db2.gz BVYFGLYZWDXXNK-UHFFFAOYSA-N 1 0 382.711 2.013 20 0 GEADRO CSc1ccc(/C=C/C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)s1 ZINC000859420494 653461239 /nfs/dbraw/zinc/46/12/39/653461239.db2.gz ZONLKUCREDUERE-OMDKTOEGSA-N 1 0 381.567 2.006 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877031548 653462814 /nfs/dbraw/zinc/46/28/14/653462814.db2.gz XPACZZKBJKUPNP-RKVPGOIHSA-N 1 0 392.297 2.203 20 0 GEADRO Cc1nnsc1C[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000877117524 653467029 /nfs/dbraw/zinc/46/70/29/653467029.db2.gz GABBEIAOQQQDPV-UHFFFAOYSA-N 1 0 381.401 2.309 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000877148566 653468876 /nfs/dbraw/zinc/46/88/76/653468876.db2.gz OBSAQGVCASWZAA-QWHCGFSZSA-N 1 0 397.704 2.455 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000877157753 653468983 /nfs/dbraw/zinc/46/89/83/653468983.db2.gz BCRRAXHWTQCHGD-AWEZNQCLSA-N 1 0 380.897 2.433 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000877173706 653470500 /nfs/dbraw/zinc/47/05/00/653470500.db2.gz IQQGPTUVILZWIS-OLZOCXBDSA-N 1 0 385.917 2.076 20 0 GEADRO Cc1c(C(=O)N2C3CCC2(C[NH3+])CC3)nnn1-c1cccc(Br)c1 ZINC000877190541 653471173 /nfs/dbraw/zinc/47/11/73/653471173.db2.gz JXOKRMRYPOXXLM-UHFFFAOYSA-N 1 0 390.285 2.434 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000877261555 653473651 /nfs/dbraw/zinc/47/36/51/653473651.db2.gz NVMBXVZUSFZAGY-QWELVPEVSA-N 1 0 387.281 2.317 20 0 GEADRO COCCC1(NC(=O)c2nn(C(C)(C)C)cc2Br)CC[NH2+]CC1 ZINC000877268358 653474181 /nfs/dbraw/zinc/47/41/81/653474181.db2.gz BRDMLVTZGYSLFR-UHFFFAOYSA-N 1 0 387.322 2.289 20 0 GEADRO Cc1c(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)nnn1-c1cccc(Br)c1 ZINC000877283648 653474556 /nfs/dbraw/zinc/47/45/56/653474556.db2.gz XNHKOZBXJOTMHF-GJZGRUSLSA-N 1 0 390.285 2.305 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284820 653474573 /nfs/dbraw/zinc/47/45/73/653474573.db2.gz OZHJMKDZAXPVLU-LSDHHAIUSA-N 1 0 395.301 2.314 20 0 GEADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280797 653474583 /nfs/dbraw/zinc/47/45/83/653474583.db2.gz XROSJQRGWIAMGZ-UKRRQHHQSA-N 1 0 376.254 2.257 20 0 GEADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285228 653474850 /nfs/dbraw/zinc/47/48/50/653474850.db2.gz RTVIRAATBIKPPD-JGGQBBKZSA-N 1 0 392.297 2.155 20 0 GEADRO CCN1C[C@@H](C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)OC1=O ZINC000859574821 653475519 /nfs/dbraw/zinc/47/55/19/653475519.db2.gz SAMKKZNABXLIFX-WBVHZDCISA-N 1 0 383.286 2.099 20 0 GEADRO COc1cc(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)sc1Br ZINC000877331664 653476696 /nfs/dbraw/zinc/47/66/96/653476696.db2.gz PMUTYHXLZWKEQM-SNVBAGLBSA-N 1 0 389.315 2.408 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877333113 653477091 /nfs/dbraw/zinc/47/70/91/653477091.db2.gz OGAHXFCFJGXKCK-UONOGXRCSA-N 1 0 397.313 2.491 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877333960 653477097 /nfs/dbraw/zinc/47/70/97/653477097.db2.gz GTUQMGJRRHWEIS-ZDUSSCGKSA-N 1 0 385.277 2.406 20 0 GEADRO C[C@H](CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)n1cc(Br)cn1 ZINC000877355883 653478352 /nfs/dbraw/zinc/47/83/52/653478352.db2.gz KVUWAZKGRKOPAG-YWVKMMECSA-N 1 0 383.212 2.192 20 0 GEADRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877366688 653479545 /nfs/dbraw/zinc/47/95/45/653479545.db2.gz AEYUSEDWLMOYBN-LOWVWBTDSA-N 1 0 377.432 2.098 20 0 GEADRO CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000877369199 653479563 /nfs/dbraw/zinc/47/95/63/653479563.db2.gz UTYORVSMUIHLLK-JSGCOSHPSA-N 1 0 378.416 2.078 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000779530785 653479642 /nfs/dbraw/zinc/47/96/42/653479642.db2.gz WAHXNDIPVQQQDT-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO COC(=O)C[C@]1([NH2+]Cc2ccc(C(=O)OC)c(Br)c2)CCOC1 ZINC000877380884 653480830 /nfs/dbraw/zinc/48/08/30/653480830.db2.gz WXANJRXSIQQFOC-MRXNPFEDSA-N 1 0 386.242 2.048 20 0 GEADRO O=C(Nc1cccc(Br)n1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000859678824 653489548 /nfs/dbraw/zinc/48/95/48/653489548.db2.gz WQZHICJAAZGLMH-ZDUSSCGKSA-N 1 0 383.290 2.467 20 0 GEADRO [NH3+]C1(CNC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)CCOCC1 ZINC000859687836 653493626 /nfs/dbraw/zinc/49/36/26/653493626.db2.gz FVUMVQGDRSTWQK-UHFFFAOYSA-N 1 0 397.195 2.492 20 0 GEADRO COCCNc1nnc(SC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000634637793 653495487 /nfs/dbraw/zinc/49/54/87/653495487.db2.gz BWZOOGCMNXVPFM-QGZVFWFLSA-N 1 0 380.539 2.326 20 0 GEADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877394465 653498194 /nfs/dbraw/zinc/49/81/94/653498194.db2.gz DODMTLXXPFKFGQ-VKJFTORMSA-N 1 0 392.297 2.203 20 0 GEADRO COCC[NH+](CCOC)C1CCN(Cc2cccnc2Br)CC1 ZINC000877520269 653610253 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COC(=O)c1csc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC000877566962 653612470 /nfs/dbraw/zinc/61/24/70/653612470.db2.gz RPXPSVYIPCWHFP-CMPLNLGQSA-N 1 0 376.400 2.377 20 0 GEADRO C[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@@]1(O)CCc2ccccc21 ZINC000877604760 653613933 /nfs/dbraw/zinc/61/39/33/653613933.db2.gz QRHNQMVCSILMLR-SFHVURJKSA-N 1 0 380.897 2.253 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1Br ZINC000877661795 653615693 /nfs/dbraw/zinc/61/56/93/653615693.db2.gz HNYVLKDWHODDRF-HNNXBMFYSA-N 1 0 381.270 2.479 20 0 GEADRO CCC(CC)(C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)OC ZINC000813793097 653616056 /nfs/dbraw/zinc/61/60/56/653616056.db2.gz ITSDKOCRMRFRIR-CYBMUJFWSA-N 1 0 377.938 2.499 20 0 GEADRO NS(=O)(=O)c1cc(Cl)cc(COC(=O)C2C[NH+](C3CCCCC3)C2)c1 ZINC000838463710 653622935 /nfs/dbraw/zinc/62/29/35/653622935.db2.gz FYKRZYZCISPESY-UHFFFAOYSA-N 1 0 386.901 2.295 20 0 GEADRO C[C@@H](Sc1nc(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cs1)C(N)=O ZINC000877947529 653624289 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[NH3+]CC1CCN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)CC1 ZINC000841150915 653708135 /nfs/dbraw/zinc/70/81/35/653708135.db2.gz ZRVRUKUJBDTRDY-UHFFFAOYSA-N 1 0 391.269 2.133 20 0 GEADRO O[C@H]1C[N@H+](Cc2cn3cc(Br)ccc3n2)CC2(CCOCC2)C1 ZINC000880589528 653708547 /nfs/dbraw/zinc/70/85/47/653708547.db2.gz UOSUCQFKEGVSBX-OAHLLOKOSA-N 1 0 380.286 2.460 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)cc2s1 ZINC000841162109 653708557 /nfs/dbraw/zinc/70/85/57/653708557.db2.gz SOTOBJIFMGAEFC-WDEREUQCSA-N 1 0 378.523 2.461 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841169013 653708761 /nfs/dbraw/zinc/70/87/61/653708761.db2.gz YDLFJXPPRJTFGH-UHFFFAOYSA-N 1 0 393.285 2.440 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2nccn3c(Br)cnc23)C[C@@H]1C(C)(C)C ZINC000880613950 653708896 /nfs/dbraw/zinc/70/88/96/653708896.db2.gz ZZPXAOGARXHWHF-LLVKDONJSA-N 1 0 380.290 2.294 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2cccnc2I)C[C@@H]1C(C)(C)C ZINC000880613279 653709006 /nfs/dbraw/zinc/70/90/06/653709006.db2.gz 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O=C(NCCNc1cc[nH+]cc1)Nc1c2c(ccc1Br)OCC2 ZINC000880801447 653714209 /nfs/dbraw/zinc/71/42/09/653714209.db2.gz DTEREKCGBQLVPX-UHFFFAOYSA-N 1 0 377.242 2.435 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC2([NH+](C)C)CC2)ccc1Cl ZINC000841452420 653717722 /nfs/dbraw/zinc/71/77/22/653717722.db2.gz CFYVKKBPURBDLI-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CCc1ccc(Br)c(NC(=O)NCC[N@H+](C)CCOCCO)c1 ZINC000880953827 653717824 /nfs/dbraw/zinc/71/78/24/653717824.db2.gz QXJGIEQUCSEKFO-UHFFFAOYSA-N 1 0 388.306 2.074 20 0 GEADRO CS(=O)(=O)c1ccc(-c2noc(Cc3cccc4c3CC[NH2+]C4)n2)s1 ZINC000863678053 653718619 /nfs/dbraw/zinc/71/86/19/653718619.db2.gz NSMHIOFBBSKKJS-UHFFFAOYSA-N 1 0 375.475 2.438 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000841479247 653719266 /nfs/dbraw/zinc/71/92/66/653719266.db2.gz OUFNCSVNFNNTRV-LBPRGKRZSA-N 1 0 387.933 2.161 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)NC[C@@H]3CSCCS3)CC2)CC1 ZINC000817776646 653719277 /nfs/dbraw/zinc/71/92/77/653719277.db2.gz AVQSMTIJBZISBT-QGZVFWFLSA-N 1 0 386.631 2.037 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841480260 653719452 /nfs/dbraw/zinc/71/94/52/653719452.db2.gz JKHDUUDBIJMFPT-LLVKDONJSA-N 1 0 389.930 2.339 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000863763788 653719703 /nfs/dbraw/zinc/71/97/03/653719703.db2.gz JMFVOXJXRGTACB-NWDGAFQWSA-N 1 0 390.311 2.415 20 0 GEADRO C[C@@H]([NH3+])c1cn([C@H](C)C(=O)Nc2cccc(I)c2)nn1 ZINC000881151856 653721606 /nfs/dbraw/zinc/72/16/06/653721606.db2.gz DNXZJZSHTSLKGE-RKDXNWHRSA-N 1 0 385.209 2.102 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccnc1I ZINC000863942246 653722453 /nfs/dbraw/zinc/72/24/53/653722453.db2.gz OWBUITFZBWGXQD-LBPRGKRZSA-N 1 0 385.249 2.433 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000817988908 653723249 /nfs/dbraw/zinc/72/32/49/653723249.db2.gz ABXIOJNMFVVXPU-UHFFFAOYSA-N 1 0 388.331 2.197 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000817990156 653723261 /nfs/dbraw/zinc/72/32/61/653723261.db2.gz YEWAZEVUEONTLI-UHFFFAOYSA-N 1 0 382.302 2.136 20 0 GEADRO COc1cc([C@H](C)N[C@H]2C[NH2+]CCC2(F)F)ccc1S(=O)(=O)C(F)F ZINC000817981381 653723337 /nfs/dbraw/zinc/72/33/37/653723337.db2.gz RTVIHNBKYKQDRU-ZANVPECISA-N 1 0 384.395 2.339 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000818001062 653723502 /nfs/dbraw/zinc/72/35/02/653723502.db2.gz FSADMCYJKVOUJO-CQSZACIVSA-N 1 0 389.315 2.100 20 0 GEADRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000818022140 653724050 /nfs/dbraw/zinc/72/40/50/653724050.db2.gz SEKPTIMXMFPNGB-BZPMIXESSA-N 1 0 387.933 2.036 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc3scnc32)C[C@H]1[NH+]1CCCC1 ZINC000841515734 653725014 /nfs/dbraw/zinc/72/50/14/653725014.db2.gz NRVMFSCPAODTLO-OCCSQVGLSA-N 1 0 383.564 2.497 20 0 GEADRO Cn1cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c(I)n1 ZINC000864054379 653725033 /nfs/dbraw/zinc/72/50/33/653725033.db2.gz ROPUWMOPLBFUGZ-DGCLKSJQSA-N 1 0 375.254 2.320 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)c2c(C)[nH]nc2I)CC1 ZINC000864059623 653725196 /nfs/dbraw/zinc/72/51/96/653725196.db2.gz MWVFZPBAVIADFL-UHFFFAOYSA-N 1 0 390.269 2.269 20 0 GEADRO C[N@@H+]1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1(C)C ZINC000881273356 653725843 /nfs/dbraw/zinc/72/58/43/653725843.db2.gz QPOSULNMMJTKLT-UHFFFAOYSA-N 1 0 397.273 2.338 20 0 GEADRO C[C@@H]([NH3+])c1cn(C[C@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000881410056 653730064 /nfs/dbraw/zinc/73/00/64/653730064.db2.gz DRMNNUVFTCUPKO-SCZZXKLOSA-N 1 0 375.654 2.154 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@H](O)c2ccccc2Br)nn1)C1CCOCC1 ZINC000881418306 653730418 /nfs/dbraw/zinc/73/04/18/653730418.db2.gz FYQIUQGEVAWYQN-JKSUJKDBSA-N 1 0 381.274 2.201 20 0 GEADRO C[C@](O)(Cn1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1)c1ccc(Br)cc1F ZINC000881425307 653730850 /nfs/dbraw/zinc/73/08/50/653730850.db2.gz VTKMNBGIVOHPNA-XHSDSOJGSA-N 1 0 399.264 2.266 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCN3C(=S)N=NC3c3cccs3)CC[C@@H]21 ZINC000881440260 653731278 /nfs/dbraw/zinc/73/12/78/653731278.db2.gz XJMSOISGJDAZCO-OLZOCXBDSA-N 1 0 377.539 2.238 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000818502508 653732320 /nfs/dbraw/zinc/73/23/20/653732320.db2.gz UHXBFZHADAARPU-SECBINFHSA-N 1 0 398.428 2.022 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)[C@H]1C[NH3+] ZINC000818519451 653732352 /nfs/dbraw/zinc/73/23/52/653732352.db2.gz YMLYHUYHMQDXBJ-ABAIWWIYSA-N 1 0 378.274 2.229 20 0 GEADRO C[C@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)[C@@H]1C[NH3+] ZINC000818519461 653732474 /nfs/dbraw/zinc/73/24/74/653732474.db2.gz YMLYHUYHMQDXBJ-XHDPSFHLSA-N 1 0 378.274 2.229 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000818563136 653733622 /nfs/dbraw/zinc/73/36/22/653733622.db2.gz CVXFSJRUPQRNDL-CHWSQXEVSA-N 1 0 387.933 2.178 20 0 GEADRO CCn1ncc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1Br ZINC000881638831 653734367 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CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)s1 ZINC000818948298 653739071 /nfs/dbraw/zinc/73/90/71/653739071.db2.gz OWZIRAGMZFRJFA-CYBMUJFWSA-N 1 0 394.440 2.498 20 0 GEADRO CCS(=O)(=O)CC[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000818957428 653739428 /nfs/dbraw/zinc/73/94/28/653739428.db2.gz SAERVHZKYMKYDX-BBRMVZONSA-N 1 0 392.924 2.265 20 0 GEADRO O=C(NCC[NH2+]C[C@@H](O)c1ccc(F)cn1)c1cccc(Br)c1 ZINC000818988850 653740221 /nfs/dbraw/zinc/74/02/21/653740221.db2.gz FXTWNRYUZKIVAT-OAHLLOKOSA-N 1 0 382.233 2.036 20 0 GEADRO COC(=O)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c(Br)c1 ZINC000787570476 653740372 /nfs/dbraw/zinc/74/03/72/653740372.db2.gz KGUCXHYZWOFLLQ-OAHLLOKOSA-N 1 0 381.270 2.479 20 0 GEADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000818997427 653740427 /nfs/dbraw/zinc/74/04/27/653740427.db2.gz AMQNMVDTMVHRDI-IRXDYDNUSA-N 1 0 398.345 2.015 20 0 GEADRO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000819010121 653740748 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CCc1nn(C)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000881843541 653742646 /nfs/dbraw/zinc/74/26/46/653742646.db2.gz GZPGCOAPFTXPOZ-AWEZNQCLSA-N 1 0 382.555 2.235 20 0 GEADRO [NH3+]CCc1ccc(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000841933704 653742751 /nfs/dbraw/zinc/74/27/51/653742751.db2.gz PPGUJKPMWPXGLA-QGZVFWFLSA-N 1 0 392.297 2.483 20 0 GEADRO COC[C@@]1(CNC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000841993396 653743306 /nfs/dbraw/zinc/74/33/06/653743306.db2.gz JVOZKBXKUREQDF-WBVHZDCISA-N 1 0 390.311 2.485 20 0 GEADRO COCC1(CNC(=O)N2Cc3ccc(Br)cc3C2)CC[NH2+]CC1 ZINC000841990790 653743322 /nfs/dbraw/zinc/74/33/22/653743322.db2.gz FWXWWUANPYULNX-UHFFFAOYSA-N 1 0 382.302 2.491 20 0 GEADRO O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000842010647 653743700 /nfs/dbraw/zinc/74/37/00/653743700.db2.gz KLTHMJTWKMPALA-IUODEOHRSA-N 1 0 376.284 2.095 20 0 GEADRO CCNC(=O)N1CC[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819160989 653744787 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CC[NH+](CC)CCOCCNC(=O)Nc1ccc(Br)nc1OC ZINC000789371841 653772559 /nfs/dbraw/zinc/77/25/59/653772559.db2.gz FKDYABMVYIUEKW-UHFFFAOYSA-N 1 0 389.294 2.333 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)C2)C1 ZINC000820341930 653772707 /nfs/dbraw/zinc/77/27/07/653772707.db2.gz IBLIJBPFHHMYOT-KDOFPFPSSA-N 1 0 392.297 2.429 20 0 GEADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000842916661 653773583 /nfs/dbraw/zinc/77/35/83/653773583.db2.gz YZFJVUAYNDXLGX-NXEZZACHSA-N 1 0 393.303 2.030 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1Br ZINC000865751101 653774025 /nfs/dbraw/zinc/77/40/25/653774025.db2.gz VERQHROPORIURF-ZDUSSCGKSA-N 1 0 398.349 2.125 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000865771159 653774384 /nfs/dbraw/zinc/77/43/84/653774384.db2.gz XURJAMWBABTWHU-HNNXBMFYSA-N 1 0 387.299 2.482 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000820458320 653774872 /nfs/dbraw/zinc/77/48/72/653774872.db2.gz CTNNMSBKINPSPZ-KRWDZBQOSA-N 1 0 386.323 2.123 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1Br ZINC000865780381 653774895 /nfs/dbraw/zinc/77/48/95/653774895.db2.gz IXUAISSUOBQNNW-UHFFFAOYSA-N 1 0 387.322 2.409 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@@H](C[NH+](C)C)C(C)C)c1cccc(Br)c1 ZINC000865798935 653775444 /nfs/dbraw/zinc/77/54/44/653775444.db2.gz BXCMXMIWNGGCGW-JKSUJKDBSA-N 1 0 384.318 2.329 20 0 GEADRO C[C@@H](CNC(=O)c1cc(F)c(Br)cc1F)C[NH+]1CCN(C)CC1 ZINC000865802780 653775674 /nfs/dbraw/zinc/77/56/74/653775674.db2.gz OCJOTFYRKYZUKS-NSHDSACASA-N 1 0 390.272 2.341 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H](C)CC[NH+](C)C)c1I ZINC000865811843 653775782 /nfs/dbraw/zinc/77/57/82/653775782.db2.gz YJYJURGTBZQYSO-SNVBAGLBSA-N 1 0 378.258 2.139 20 0 GEADRO NC(=O)COc1ccc(C[NH2+][C@H]2COc3cccc(Br)c3C2)cc1 ZINC000865819960 653776264 /nfs/dbraw/zinc/77/62/64/653776264.db2.gz CAYMEFUYBKWFFC-CYBMUJFWSA-N 1 0 391.265 2.407 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)cc1F ZINC000820597059 653777500 /nfs/dbraw/zinc/77/75/00/653777500.db2.gz RGXPHUUFMBYBCQ-NWDGAFQWSA-N 1 0 382.379 2.049 20 0 GEADRO C[C@](O)(CNC[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000843063224 653778524 /nfs/dbraw/zinc/77/85/24/653778524.db2.gz XSWNIWBAZJAAAO-CJNGLKHVSA-N 1 0 391.737 2.356 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000865895134 653779172 /nfs/dbraw/zinc/77/91/72/653779172.db2.gz RIEWCBHXXUSOJM-WMLDXEAASA-N 1 0 396.329 2.427 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNc2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000820628792 653779252 /nfs/dbraw/zinc/77/92/52/653779252.db2.gz BMXYCGVBPWRJFP-ZDUSSCGKSA-N 1 0 384.933 2.060 20 0 GEADRO O=S(=O)(CCO)c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000843104491 653779436 /nfs/dbraw/zinc/77/94/36/653779436.db2.gz JDMWPPLWKYAQCW-KRWDZBQOSA-N 1 0 387.860 2.068 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000843116124 653779939 /nfs/dbraw/zinc/77/99/39/653779939.db2.gz WDNRWDYHFPJRHK-MAUKXSAKSA-N 1 0 394.313 2.127 20 0 GEADRO [NH3+]C[C@@H]1CN(Cc2nc3ccccn3c2Br)CC12CCOCC2 ZINC000843125186 653780199 /nfs/dbraw/zinc/78/01/99/653780199.db2.gz NQHVHPSTKGYNTL-CYBMUJFWSA-N 1 0 379.302 2.284 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)s1 ZINC000820680876 653780177 /nfs/dbraw/zinc/78/01/77/653780177.db2.gz XDNWCJXXQZLSMO-MRXNPFEDSA-N 1 0 392.518 2.254 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc(Br)cc1S(N)(=O)=O ZINC000865930346 653780207 /nfs/dbraw/zinc/78/02/07/653780207.db2.gz QCUHAFZWWBGCEG-LLVKDONJSA-N 1 0 376.320 2.381 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000843125215 653780285 /nfs/dbraw/zinc/78/02/85/653780285.db2.gz OEYDVDIBIWDHCF-CJNGLKHVSA-N 1 0 379.302 2.425 20 0 GEADRO O=c1[nH]c(Cc2noc([C@@]3(F)CC[NH2+]C3)n2)nc2ccc(Br)cc12 ZINC000843201042 653781101 /nfs/dbraw/zinc/78/11/01/653781101.db2.gz NFQWSHYEHMLFAO-OAHLLOKOSA-N 1 0 394.204 2.230 20 0 GEADRO COc1ccc(NC(=O)Cc2noc(C[C@@H]3CSCC[NH2+]3)n2)cc1Cl ZINC000843214583 653781602 /nfs/dbraw/zinc/78/16/02/653781602.db2.gz GSJVKCKNEOVWAP-LLVKDONJSA-N 1 0 382.873 2.160 20 0 GEADRO CC(C)(c1noc(CCC[NH3+])n1)S(=O)(=O)c1ccc(Br)cc1 ZINC000843212478 653781606 /nfs/dbraw/zinc/78/16/06/653781606.db2.gz VNCJSMGOSYBIOH-UHFFFAOYSA-N 1 0 388.287 2.432 20 0 GEADRO CC(C)([NH3+])Cc1nc(-c2cccn3c(I)cnc23)no1 ZINC000843223620 653781800 /nfs/dbraw/zinc/78/18/00/653781800.db2.gz DSSGRFPFDATAIN-UHFFFAOYSA-N 1 0 383.193 2.269 20 0 GEADRO CCC1([NH+]2CCOCC2)CCN(c2ccc(CO)c(Br)n2)CC1 ZINC000865974108 653781869 /nfs/dbraw/zinc/78/18/69/653781869.db2.gz HUMRQBJKWLXERY-UHFFFAOYSA-N 1 0 384.318 2.418 20 0 GEADRO Brc1ccn2cc(-c3noc(C[C@H]4CSCC[NH2+]4)n3)nc2c1 ZINC000843234398 653782170 /nfs/dbraw/zinc/78/21/70/653782170.db2.gz QGCKWDYKSHDVDN-JTQLQIEISA-N 1 0 380.271 2.394 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000843263806 653782473 /nfs/dbraw/zinc/78/24/73/653782473.db2.gz ZHJYTYIGPIGGHA-UHFFFAOYSA-N 1 0 396.329 2.232 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+]2CC)c1 ZINC000882479460 653784189 /nfs/dbraw/zinc/78/41/89/653784189.db2.gz WTWUSZJWHQGJSO-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000882485194 653784576 /nfs/dbraw/zinc/78/45/76/653784576.db2.gz RHKCCNCZDLHTFO-AWEZNQCLSA-N 1 0 378.274 2.162 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000882507936 653785644 /nfs/dbraw/zinc/78/56/44/653785644.db2.gz SCEUIONIOKFNDW-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000843399994 653786156 /nfs/dbraw/zinc/78/61/56/653786156.db2.gz ZPTCZQSKJBKWNM-MRXNPFEDSA-N 1 0 397.313 2.340 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc(Cl)n1 ZINC000843444423 653787038 /nfs/dbraw/zinc/78/70/38/653787038.db2.gz SITKNTYHQHMXBT-ILXRZTDVSA-N 1 0 387.933 2.248 20 0 GEADRO O=C(/C=C\c1ccc(I)o1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843474543 653787673 /nfs/dbraw/zinc/78/76/73/653787673.db2.gz PTHNNXMCVNUFAC-QTLSWZBMSA-N 1 0 386.233 2.500 20 0 GEADRO O=C(/C=C\c1ccc(I)o1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843474546 653787803 /nfs/dbraw/zinc/78/78/03/653787803.db2.gz PTHNNXMCVNUFAC-UYWPIULCSA-N 1 0 386.233 2.500 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1F ZINC000790192000 653787892 /nfs/dbraw/zinc/78/78/92/653787892.db2.gz PGWCONSJCRDCPP-CQSZACIVSA-N 1 0 376.881 2.401 20 0 GEADRO C[C@H](CNC(=O)/C=C\CN1CCOCC1)Oc1ccc(Br)cc1 ZINC000866182861 653788211 /nfs/dbraw/zinc/78/82/11/653788211.db2.gz GSFOKBLCSOOSBR-PYLYLYNFSA-N 1 0 383.286 2.221 20 0 GEADRO C[C@@H](CNC(=O)/C=C/CN1CCOCC1)Oc1ccc(Br)cc1 ZINC000866182860 653788302 /nfs/dbraw/zinc/78/83/02/653788302.db2.gz GSFOKBLCSOOSBR-HSWBROFVSA-N 1 0 383.286 2.221 20 0 GEADRO CN(CC(=O)NCCCCCC[NH3+])C(=O)c1ccc(Br)s1 ZINC000843509714 653788847 /nfs/dbraw/zinc/78/88/47/653788847.db2.gz DKHJJIFTFAGWTN-UHFFFAOYSA-N 1 0 376.320 2.218 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000866222377 653789044 /nfs/dbraw/zinc/78/90/44/653789044.db2.gz AFWLRHRJGRGMNX-UHFFFAOYSA-N 1 0 375.694 2.218 20 0 GEADRO CCn1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1Br ZINC000821043526 653789398 /nfs/dbraw/zinc/78/93/98/653789398.db2.gz SMROOURHCGNXOH-LSDHHAIUSA-N 1 0 399.333 2.163 20 0 GEADRO CC(=O)N[C@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)c1cccc(Br)c1 ZINC000866271437 653789735 /nfs/dbraw/zinc/78/97/35/653789735.db2.gz KZOOMJXSWAGRHS-WBMJQRKESA-N 1 0 382.302 2.084 20 0 GEADRO Cn1ncc(I)c1CNc1cc[nH+]cc1C(F)(F)F ZINC000866291365 653790302 /nfs/dbraw/zinc/79/03/02/653790302.db2.gz BDABCVBCNGISBW-UHFFFAOYSA-N 1 0 382.127 2.473 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000866381972 653792063 /nfs/dbraw/zinc/79/20/63/653792063.db2.gz WJMHDBIXZOBKAM-ZDUSSCGKSA-N 1 0 385.306 2.021 20 0 GEADRO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1nc[nH]c1Br ZINC000866381600 653792082 /nfs/dbraw/zinc/79/20/82/653792082.db2.gz RSDGFTVAJFJWQZ-UHFFFAOYSA-N 1 0 399.314 2.115 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cccc(I)c1)CC1CC1 ZINC000790549790 653793440 /nfs/dbraw/zinc/79/34/40/653793440.db2.gz AWFREXXGLDDDQW-UHFFFAOYSA-N 1 0 379.263 2.206 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2nc(C(C)C)ncc2Br)CC1 ZINC000821272936 653793633 /nfs/dbraw/zinc/79/36/33/653793633.db2.gz WZXGXWZQJNLUTN-UHFFFAOYSA-N 1 0 399.333 2.328 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC000790595516 653793880 /nfs/dbraw/zinc/79/38/80/653793880.db2.gz VBKYVJXZMLTODO-MRVPVSSYSA-N 1 0 377.080 2.431 20 0 GEADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000866434310 653795280 /nfs/dbraw/zinc/79/52/80/653795280.db2.gz LACPATMFFRNHAY-GXSJLCMTSA-N 1 0 376.770 2.437 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(C(=O)C[C@@H](C)n2cc(Br)cn2)C[C@@H]1C ZINC000844022097 653799198 /nfs/dbraw/zinc/79/91/98/653799198.db2.gz IBQIRMRHRWFBQX-MCIONIFRSA-N 1 0 387.322 2.164 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866506686 653799757 /nfs/dbraw/zinc/79/97/57/653799757.db2.gz PEVGFJZJVTXTAJ-RYUDHWBXSA-N 1 0 382.452 2.085 20 0 GEADRO Cn1nc(Br)cc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000844052265 653799993 /nfs/dbraw/zinc/79/99/93/653799993.db2.gz VMVFGMPSQKOHGQ-KGLIPLIRSA-N 1 0 377.286 2.258 20 0 GEADRO CC[NH+](CC)CCSCC(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F ZINC000844056486 653800219 /nfs/dbraw/zinc/80/02/19/653800219.db2.gz LALVFKKXYFMHSO-CYBMUJFWSA-N 1 0 383.480 2.121 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@H]3CCCOc4c(Br)cccc43)COCCN12 ZINC000866523486 653800562 /nfs/dbraw/zinc/80/05/62/653800562.db2.gz DECGZHAMVVXFBK-YOEHRIQHSA-N 1 0 397.269 2.474 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@H]3CCCOc4c(Br)cccc43)COCCN12 ZINC000866523483 653800692 /nfs/dbraw/zinc/80/06/92/653800692.db2.gz DECGZHAMVVXFBK-WMLDXEAASA-N 1 0 397.269 2.474 20 0 GEADRO Ic1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)nc1 ZINC000882727407 653800856 /nfs/dbraw/zinc/80/08/56/653800856.db2.gz VRNMPALKTYRPAQ-CQSZACIVSA-N 1 0 387.265 2.424 20 0 GEADRO Nc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(Br)n1 ZINC000821551221 653801001 /nfs/dbraw/zinc/80/10/01/653801001.db2.gz YVWXSIPRSNSNAG-UHFFFAOYSA-N 1 0 390.285 2.468 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)cc1Br ZINC000866573773 653802810 /nfs/dbraw/zinc/80/28/10/653802810.db2.gz NLIPLWVSDGMMNQ-JTQLQIEISA-N 1 0 379.320 2.423 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000844196215 653803063 /nfs/dbraw/zinc/80/30/63/653803063.db2.gz FMAVPBVJQYWEQB-BFVZDQMLSA-N 1 0 398.248 2.055 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000866596710 653805323 /nfs/dbraw/zinc/80/53/23/653805323.db2.gz IOHWESUTNILYPB-NSHDSACASA-N 1 0 389.315 2.114 20 0 GEADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000882767558 653805747 /nfs/dbraw/zinc/80/57/47/653805747.db2.gz RUTRMGLVBXNPHU-UHFFFAOYSA-N 1 0 394.360 2.296 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000866629045 653806886 /nfs/dbraw/zinc/80/68/86/653806886.db2.gz CATDBUDOKKPOBL-HONMWMINSA-N 1 0 387.265 2.462 20 0 GEADRO O=S(=O)(N=S1(=O)CCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000866646968 653808342 /nfs/dbraw/zinc/80/83/42/653808342.db2.gz ZCSAVHAPNLJANW-UHFFFAOYSA-N 1 0 377.576 2.127 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1csc(I)n1 ZINC000821830288 653808613 /nfs/dbraw/zinc/80/86/13/653808613.db2.gz INXRHQUFVLELPI-VIFPVBQESA-N 1 0 379.267 2.352 20 0 GEADRO CCOc1ccc(Br)c(C(=O)NCC[NH+]2CCC(O)CC2)c1F ZINC000821863731 653809921 /nfs/dbraw/zinc/80/99/21/653809921.db2.gz OAGRMTDGYZRORG-UHFFFAOYSA-N 1 0 389.265 2.173 20 0 GEADRO Cc1cc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)ncc1Br ZINC000882813316 653810778 /nfs/dbraw/zinc/81/07/78/653810778.db2.gz KFZWMTXSGWJPKA-UHFFFAOYSA-N 1 0 381.318 2.463 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)ccc1Br ZINC000894988947 653811357 /nfs/dbraw/zinc/81/13/57/653811357.db2.gz NZTLVHHWZWXTOI-VXGBXAGGSA-N 1 0 389.315 2.109 20 0 GEADRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2cccnc2Br)C[C@@H](C)O1 ZINC000791381834 653811671 /nfs/dbraw/zinc/81/16/71/653811671.db2.gz WWBGVINSEXUXPW-ZIAGYGMSSA-N 1 0 384.318 2.392 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c(I)n1 ZINC000894994313 653811851 /nfs/dbraw/zinc/81/18/51/653811851.db2.gz OEPJNBDCZPNMEO-LBPRGKRZSA-N 1 0 389.212 2.030 20 0 GEADRO Cn1nc(Br)nc1C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000895046928 653814352 /nfs/dbraw/zinc/81/43/52/653814352.db2.gz YWCDCZPBVAXPMD-VHSXEESVSA-N 1 0 388.310 2.359 20 0 GEADRO Cn1ncc(I)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000895074079 653815574 /nfs/dbraw/zinc/81/55/74/653815574.db2.gz LUHYARFRETXBDI-AAEUAGOBSA-N 1 0 375.254 2.416 20 0 GEADRO CC(C)[C@@H]([NH2+]Cc1c(I)cnn1C)C1(CO)CC=CC1 ZINC000895087803 653816988 /nfs/dbraw/zinc/81/69/88/653816988.db2.gz XTXATANSOJCSPI-CQSZACIVSA-N 1 0 389.281 2.468 20 0 GEADRO [NH3+]CCc1ccc(CNS(=O)(=O)Cc2ncsc2Br)cc1 ZINC000866738079 653817095 /nfs/dbraw/zinc/81/70/95/653817095.db2.gz MYTGEODWLNHAOS-UHFFFAOYSA-N 1 0 390.328 2.026 20 0 GEADRO C[C@]1(CS(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1(Cl)Cl ZINC000866740528 653817748 /nfs/dbraw/zinc/81/77/48/653817748.db2.gz SRGUJGSDFUYVDT-CYBMUJFWSA-N 1 0 385.357 2.135 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000866740269 653817776 /nfs/dbraw/zinc/81/77/76/653817776.db2.gz MNHXHBWREUJUAG-UHFFFAOYSA-N 1 0 377.304 2.149 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000866744799 653818061 /nfs/dbraw/zinc/81/80/61/653818061.db2.gz UMOQAJRIWCCTDV-GHMZBOCLSA-N 1 0 386.930 2.497 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2csc(I)n2)C1 ZINC000822100635 653818328 /nfs/dbraw/zinc/81/83/28/653818328.db2.gz FEMZUHOQDADDQM-SECBINFHSA-N 1 0 379.267 2.209 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000866754133 653819549 /nfs/dbraw/zinc/81/95/49/653819549.db2.gz LEPFYSXBDAKGAN-LBPRGKRZSA-N 1 0 391.331 2.219 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC(C)([NH+]2CCC2)CC1 ZINC000882963906 653819936 /nfs/dbraw/zinc/81/99/36/653819936.db2.gz MRGBYLCMLWCNIZ-UHFFFAOYSA-N 1 0 386.949 2.302 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000866757501 653820218 /nfs/dbraw/zinc/82/02/18/653820218.db2.gz WPOAKNZFVFWNCD-OJLQRUNKSA-N 1 0 387.571 2.021 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000866759073 653820439 /nfs/dbraw/zinc/82/04/39/653820439.db2.gz MKOZGRKQHUGZNB-QWRGUYRKSA-N 1 0 377.304 2.018 20 0 GEADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000822235304 653820575 /nfs/dbraw/zinc/82/05/75/653820575.db2.gz AZUBOPPGIWHJPB-UHFFFAOYSA-N 1 0 396.504 2.312 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000866771386 653822692 /nfs/dbraw/zinc/82/26/92/653822692.db2.gz CZYNDESQPBZSST-HNNXBMFYSA-N 1 0 389.315 2.115 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cc(Cl)cnc3Cl)CC2)C1 ZINC000866771978 653823050 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CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[NH2+]CCC2(C)C)cc1Cl ZINC000866803071 653828716 /nfs/dbraw/zinc/82/87/16/653828716.db2.gz AKTVZXPTCLSPBD-UHFFFAOYSA-N 1 0 377.869 2.200 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2ncc(I)s2)CCC1(C)C ZINC000883121159 653829376 /nfs/dbraw/zinc/82/93/76/653829376.db2.gz ZCWMJOJBWWNGOA-UHFFFAOYSA-N 1 0 379.267 2.304 20 0 GEADRO Cn1ncc(I)c1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000895359466 653829866 /nfs/dbraw/zinc/82/98/66/653829866.db2.gz FXMUNGUBLZAYAP-CYBMUJFWSA-N 1 0 388.297 2.236 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000866812478 653830908 /nfs/dbraw/zinc/83/09/08/653830908.db2.gz HHXLNQVJZMJYCI-VIFPVBQESA-N 1 0 377.869 2.104 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866811871 653831093 /nfs/dbraw/zinc/83/10/93/653831093.db2.gz PERBMVRWZLDFMG-LLVKDONJSA-N 1 0 382.507 2.354 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000866813206 653831232 /nfs/dbraw/zinc/83/12/32/653831232.db2.gz VPGYJUYNUVFNNI-VIFPVBQESA-N 1 0 395.294 2.263 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000866813056 653831318 /nfs/dbraw/zinc/83/13/18/653831318.db2.gz PERBMVRWZLDFMG-NSHDSACASA-N 1 0 382.507 2.354 20 0 GEADRO COC[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@H]1CCCOC1 ZINC000883220652 653832392 /nfs/dbraw/zinc/83/23/92/653832392.db2.gz NGXKMUUWBNRSFS-HOCLYGCPSA-N 1 0 390.933 2.040 20 0 GEADRO COCC[C@H](C[NH2+]Cc1cnc(Br)cn1)NC(=O)OC(C)(C)C ZINC000895406996 653832737 /nfs/dbraw/zinc/83/27/37/653832737.db2.gz KCWNZJYFRJTUHQ-LLVKDONJSA-N 1 0 389.294 2.259 20 0 GEADRO CC1(C)CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)OC1 ZINC000883243803 653832645 /nfs/dbraw/zinc/83/26/45/653832645.db2.gz YCEJSHSATYINRX-GFCCVEGCSA-N 1 0 391.331 2.391 20 0 GEADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1I ZINC000895408425 653833275 /nfs/dbraw/zinc/83/32/75/653833275.db2.gz UPTGHGXQCMHADZ-LBPRGKRZSA-N 1 0 396.232 2.019 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C[NH+]1CCCC1 ZINC000822616660 653833745 /nfs/dbraw/zinc/83/37/45/653833745.db2.gz JIDNPLFYOMOJMM-UHFFFAOYSA-N 1 0 378.274 2.084 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866827026 653834010 /nfs/dbraw/zinc/83/40/10/653834010.db2.gz HAPGMXRKNPZZBI-NWDGAFQWSA-N 1 0 393.278 2.112 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866828750 653834343 /nfs/dbraw/zinc/83/43/43/653834343.db2.gz XXOJQTAAJHWMNU-NWDGAFQWSA-N 1 0 381.242 2.242 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(OC)c(OC)cc1Br ZINC000883300282 653834501 /nfs/dbraw/zinc/83/45/01/653834501.db2.gz SOMBAYQSJSFLJM-GFCCVEGCSA-N 1 0 386.290 2.360 20 0 GEADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1nnc2n1CCNC2=O ZINC000883303082 653834865 /nfs/dbraw/zinc/83/48/65/653834865.db2.gz OMOBHDWDNWUMJT-AWEZNQCLSA-N 1 0 392.301 2.285 20 0 GEADRO COc1cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)cc(Br)c1O ZINC000883300872 653834887 /nfs/dbraw/zinc/83/48/87/653834887.db2.gz KSSQENQPRMVAPS-LLVKDONJSA-N 1 0 378.288 2.220 20 0 GEADRO Cc1cc([C@@H](C)NCc2nnc3c(=O)n(C)ccn23)sc1Br ZINC000883331749 653835526 /nfs/dbraw/zinc/83/55/26/653835526.db2.gz FWRMUYQQUSVNSL-SECBINFHSA-N 1 0 382.287 2.411 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000883359337 653836901 /nfs/dbraw/zinc/83/69/01/653836901.db2.gz DPBZDBYEJLERAH-GZMMTYOYSA-N 1 0 376.347 2.267 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000883359831 653837058 /nfs/dbraw/zinc/83/70/58/653837058.db2.gz ONWHRGONYUKETB-GZMMTYOYSA-N 1 0 376.347 2.267 20 0 GEADRO NC(=O)COc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792196105 653837304 /nfs/dbraw/zinc/83/73/04/653837304.db2.gz JEJRULCZLNZVOE-UHFFFAOYSA-N 1 0 399.310 2.369 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000866848894 653837645 /nfs/dbraw/zinc/83/76/45/653837645.db2.gz REIIXTMAZOIDEJ-CJNGLKHVSA-N 1 0 394.313 2.086 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C[C@H]1C ZINC000866855563 653838586 /nfs/dbraw/zinc/83/85/86/653838586.db2.gz PXJHMNIEDMGNTD-CDEUHXGRSA-N 1 0 391.534 2.332 20 0 GEADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1 ZINC000866863320 653839884 /nfs/dbraw/zinc/83/98/84/653839884.db2.gz QFPWRQUFWFBDQT-UHFFFAOYSA-N 1 0 382.452 2.181 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc(O)ccc2Br)CC1 ZINC000895550760 653840528 /nfs/dbraw/zinc/84/05/28/653840528.db2.gz KJFDXOINJZHATE-UHFFFAOYSA-N 1 0 396.329 2.461 20 0 GEADRO C[C@H]1CN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCN1c1cc[nH+]cc1 ZINC000895556148 653840921 /nfs/dbraw/zinc/84/09/21/653840921.db2.gz FTHKCLWDEYCFDJ-ZDUSSCGKSA-N 1 0 380.901 2.093 20 0 GEADRO CCOc1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1OCC ZINC000883469985 653841053 /nfs/dbraw/zinc/84/10/53/653841053.db2.gz IDXUHIUNCLQADT-UHFFFAOYSA-N 1 0 384.420 2.386 20 0 GEADRO NS(=O)(=O)c1ccc2ccccc2c1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895568792 653841423 /nfs/dbraw/zinc/84/14/23/653841423.db2.gz KFTNWKYSGMTEEF-CVEARBPZSA-N 1 0 377.535 2.479 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000866881038 653842139 /nfs/dbraw/zinc/84/21/39/653842139.db2.gz YMEFJQCVRMNEQA-VOIUYBSRSA-N 1 0 385.555 2.196 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000883484670 653843122 /nfs/dbraw/zinc/84/31/22/653843122.db2.gz YXXZVKNEXMHMHP-UHFFFAOYSA-N 1 0 379.448 2.459 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000883503981 653843642 /nfs/dbraw/zinc/84/36/42/653843642.db2.gz VADPJDKEPNNZFL-HZUKXOBISA-N 1 0 382.302 2.407 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000866892777 653845085 /nfs/dbraw/zinc/84/50/85/653845085.db2.gz XHQLLSRVTKIKDH-JBEBIEQOSA-N 1 0 391.534 2.191 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)c2c[nH]nc2I)CC1 ZINC000895798628 653850624 /nfs/dbraw/zinc/85/06/24/653850624.db2.gz IKRVGDOAIUUTAK-UHFFFAOYSA-N 1 0 376.242 2.007 20 0 GEADRO Cc1nccc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)c1Br ZINC000883558381 653845409 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CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000883627362 653848305 /nfs/dbraw/zinc/84/83/05/653848305.db2.gz ZPCXWXDTBBVTEY-UHFFFAOYSA-N 1 0 390.228 2.396 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000883626665 653848428 /nfs/dbraw/zinc/84/84/28/653848428.db2.gz BUMNAKGMAGQIIL-UHFFFAOYSA-N 1 0 390.228 2.396 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2cscc2Br)CC[C@@H]1[NH3+] ZINC000883638507 653848620 /nfs/dbraw/zinc/84/86/20/653848620.db2.gz OLINUXBLFVODRM-GWCFXTLKSA-N 1 0 388.331 2.055 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)Cc1cscc1Br ZINC000883642376 653849189 /nfs/dbraw/zinc/84/91/89/653849189.db2.gz KDVFVXBTSOOABH-UHFFFAOYSA-N 1 0 390.347 2.447 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000895774247 653849963 /nfs/dbraw/zinc/84/99/63/653849963.db2.gz XVJXASLQXXEURB-MRXNPFEDSA-N 1 0 393.281 2.110 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000883771847 653852853 /nfs/dbraw/zinc/85/28/53/653852853.db2.gz RWJVSZZPMYOKGS-CYBMUJFWSA-N 1 0 394.273 2.393 20 0 GEADRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2cccn3c(I)cnc23)no1 ZINC000823116631 653854029 /nfs/dbraw/zinc/85/40/29/653854029.db2.gz XNLFNUKGFYFQSK-IUCAKERBSA-N 1 0 395.204 2.454 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000823116465 653854140 /nfs/dbraw/zinc/85/41/40/653854140.db2.gz VCBSJYZNYORPQB-JGVFFNPUSA-N 1 0 383.193 2.440 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000823175571 653856501 /nfs/dbraw/zinc/85/65/01/653856501.db2.gz BXKBLMBCGDEMPJ-ZDUSSCGKSA-N 1 0 385.965 2.105 20 0 GEADRO CC(C)(CNC(=O)C(=O)Nc1cccc(Br)n1)[NH+]1CCCCC1 ZINC000792947815 653856541 /nfs/dbraw/zinc/85/65/41/653856541.db2.gz QVEDKWOXKROKFN-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cc2cc(Br)ccc2o1 ZINC000883945317 653856907 /nfs/dbraw/zinc/85/69/07/653856907.db2.gz LWRHJVZTCAQUBP-INIZCTEOSA-N 1 0 384.274 2.307 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[N@@H+]1CCCC[C@@H]1C ZINC000792952973 653857130 /nfs/dbraw/zinc/85/71/30/653857130.db2.gz LQYMGRWGYILHMK-RYUDHWBXSA-N 1 0 383.290 2.162 20 0 GEADRO COC1CC[NH+](CCNC(=O)NCCc2sccc2Br)CC1 ZINC000883952178 653858086 /nfs/dbraw/zinc/85/80/86/653858086.db2.gz BEJZEDFHNFEYCG-UHFFFAOYSA-N 1 0 390.347 2.463 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)nc1Br ZINC000792967804 653858261 /nfs/dbraw/zinc/85/82/61/653858261.db2.gz FRDIPXIFPWOPPB-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO O=C(NCCc1sccc1Br)NC[C@@H]1CCC[N@H+]1CCCO ZINC000883952567 653858379 /nfs/dbraw/zinc/85/83/79/653858379.db2.gz NOPBNJFXSBCAIJ-LBPRGKRZSA-N 1 0 390.347 2.199 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)CCN1 ZINC000823225395 653858760 /nfs/dbraw/zinc/85/87/60/653858760.db2.gz OXRYZGCZBFEPRL-WMLDXEAASA-N 1 0 386.323 2.313 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000895960493 653858813 /nfs/dbraw/zinc/85/88/13/653858813.db2.gz DMMYMZHDAWGJHB-NEPJUHHUSA-N 1 0 389.315 2.109 20 0 GEADRO C[C@]1(CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1(Cl)Cl ZINC000866982719 653859606 /nfs/dbraw/zinc/85/96/06/653859606.db2.gz TVJJWJTYXICXCB-SOUVJXGZSA-N 1 0 399.384 2.258 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)n2)C1 ZINC000792994538 653859876 /nfs/dbraw/zinc/85/98/76/653859876.db2.gz FZEANWPPSZIHBI-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)Nc2cccc(C[NH2+]C)c2)cs1)C(N)=O ZINC000884014291 653860470 /nfs/dbraw/zinc/86/04/70/653860470.db2.gz HFPKDFSOLSDCRU-CQSZACIVSA-N 1 0 378.523 2.400 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)nc1Br ZINC000793001869 653860775 /nfs/dbraw/zinc/86/07/75/653860775.db2.gz PVHLNHKPIVXSEB-RYUDHWBXSA-N 1 0 383.290 2.080 20 0 GEADRO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1ncc(Br)cc1O ZINC000896018659 653860955 /nfs/dbraw/zinc/86/09/55/653860955.db2.gz PLOTUWDDDHGAQB-KRWDZBQOSA-N 1 0 379.254 2.482 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)C[C@H]1C ZINC000793005269 653861132 /nfs/dbraw/zinc/86/11/32/653861132.db2.gz QBDWKKFBHPNQOK-CHWSQXEVSA-N 1 0 397.317 2.422 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000845738040 653861207 /nfs/dbraw/zinc/86/12/07/653861207.db2.gz LDQNCFWJEZDXQA-CYBMUJFWSA-N 1 0 381.523 2.405 20 0 GEADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2c(Br)cccc2C1 ZINC000896030266 653861437 /nfs/dbraw/zinc/86/14/37/653861437.db2.gz SRNXUNCSJCLLOM-UHFFFAOYSA-N 1 0 379.298 2.445 20 0 GEADRO COc1ccc(N(Cc2cccs2)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1 ZINC000884056643 653861665 /nfs/dbraw/zinc/86/16/65/653861665.db2.gz FFVBGOGZOCCDHJ-INIZCTEOSA-N 1 0 382.507 2.052 20 0 GEADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000845740529 653861654 /nfs/dbraw/zinc/86/16/54/653861654.db2.gz PAMKYIKEMMDNBW-OCCSQVGLSA-N 1 0 388.917 2.423 20 0 GEADRO CCOC(=O)N1CCC(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884056398 653861697 /nfs/dbraw/zinc/86/16/97/653861697.db2.gz WORSSJGLGIRZIZ-CQSZACIVSA-N 1 0 384.274 2.186 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](CC(C)C)[NH2+]C)s1 ZINC000884063649 653861960 /nfs/dbraw/zinc/86/19/60/653861960.db2.gz HDSQYOVXLTZKQT-AWEZNQCLSA-N 1 0 375.560 2.029 20 0 GEADRO Brc1ccc(-n2cc(-c3nc(N4CC[NH2+]CC4)no3)cn2)cc1 ZINC000823316234 653862279 /nfs/dbraw/zinc/86/22/79/653862279.db2.gz ULKSXMXFCFQWHW-UHFFFAOYSA-N 1 0 375.230 2.094 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCCC[NH+](C)C ZINC000884073657 653862366 /nfs/dbraw/zinc/86/23/66/653862366.db2.gz QUNAIKDZOHKFMX-UHFFFAOYSA-N 1 0 385.711 2.341 20 0 GEADRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000884085447 653862669 /nfs/dbraw/zinc/86/26/69/653862669.db2.gz VNHXJYJUKOKJPC-OAHLLOKOSA-N 1 0 387.571 2.027 20 0 GEADRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884113937 653864214 /nfs/dbraw/zinc/86/42/14/653864214.db2.gz DHLJXDLHHGQMTD-BBRMVZONSA-N 1 0 396.329 2.460 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884131999 653865317 /nfs/dbraw/zinc/86/53/17/653865317.db2.gz COGULEXSKWMCBK-OAHLLOKOSA-N 1 0 382.302 2.041 20 0 GEADRO Cn1cc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)c(Br)n1 ZINC000896140683 653866211 /nfs/dbraw/zinc/86/62/11/653866211.db2.gz VLMQCYMSTZRASR-UHFFFAOYSA-N 1 0 393.245 2.235 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cnn(C(C)C)c2Br)C[C@@H]1[NH+](C)C ZINC000867019026 653866573 /nfs/dbraw/zinc/86/65/73/653866573.db2.gz FWBGMNMTVROQON-NWDGAFQWSA-N 1 0 375.336 2.344 20 0 GEADRO [NH3+][C@@H](C(=O)NCc1nnc2n1CCCCC2)c1ccc(Br)cc1 ZINC000884179113 653866624 /nfs/dbraw/zinc/86/66/24/653866624.db2.gz FLLCPVPGOODGSP-OAHLLOKOSA-N 1 0 378.274 2.083 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C[C@H]1[NH+](C)C ZINC000867025490 653867952 /nfs/dbraw/zinc/86/79/52/653867952.db2.gz OLWOVLYLTZLAPC-KOLCDFICSA-N 1 0 392.959 2.011 20 0 GEADRO [NH3+][C@@H](CNC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1 ZINC000884242432 653868950 /nfs/dbraw/zinc/86/89/50/653868950.db2.gz WJLKIFSNMTUIFP-JTQLQIEISA-N 1 0 384.665 2.150 20 0 GEADRO Cn1cc(C[C@H]2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)C2)cn1 ZINC000884231945 653869032 /nfs/dbraw/zinc/86/90/32/653869032.db2.gz FEIFFHCJUBMIDM-MLGOLLRUSA-N 1 0 377.286 2.274 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1c(Cl)cccc1OC(F)F ZINC000896225250 653869614 /nfs/dbraw/zinc/86/96/14/653869614.db2.gz WKBZYJRBWUWMOR-UHFFFAOYSA-N 1 0 377.819 2.197 20 0 GEADRO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000884280514 653870239 /nfs/dbraw/zinc/87/02/39/653870239.db2.gz MPZBJRDHNDNMKX-QAPCUYQASA-N 1 0 393.281 2.133 20 0 GEADRO COC[C@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1cccc(Br)c1 ZINC000896248919 653870631 /nfs/dbraw/zinc/87/06/31/653870631.db2.gz ICAKZGZBEMOOQI-LZWOXQAQSA-N 1 0 382.302 2.340 20 0 GEADRO C[C@@H]1CN(CCN(C)C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000884312484 653871537 /nfs/dbraw/zinc/87/15/37/653871537.db2.gz GPQIVHSDJGVPBR-ZENOOKHLSA-N 1 0 384.318 2.017 20 0 GEADRO COC(=O)N1CCC([C@@H](C)NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884318610 653871798 /nfs/dbraw/zinc/87/17/98/653871798.db2.gz ASNOHWMPTHWRIX-ABAIWWIYSA-N 1 0 398.301 2.432 20 0 GEADRO [NH3+][C@@H](C(=O)NCCc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000884325008 653872384 /nfs/dbraw/zinc/87/23/84/653872384.db2.gz GUIASQQXYASYBL-OAHLLOKOSA-N 1 0 375.270 2.475 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCCNC(=O)OC(C)(C)C)CCC1 ZINC000896283804 653872448 /nfs/dbraw/zinc/87/24/48/653872448.db2.gz VWRMZUDQTUMEEN-UHFFFAOYSA-N 1 0 377.551 2.131 20 0 GEADRO [NH3+]C1(CNC(=O)c2nn3c(c2Br)CCC3)C2CC3CC(C2)CC1C3 ZINC000884345283 653873434 /nfs/dbraw/zinc/87/34/34/653873434.db2.gz AJZMGBLZQLNXQG-UHFFFAOYSA-N 1 0 393.329 2.475 20 0 GEADRO O=C(NCCC1SCCS1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000823601442 653873631 /nfs/dbraw/zinc/87/36/31/653873631.db2.gz DGIDYHMITUNRTM-MRXNPFEDSA-N 1 0 381.567 2.249 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000884349196 653873736 /nfs/dbraw/zinc/87/37/36/653873736.db2.gz PTTXZOCOJAGCTB-HUUCEWRRSA-N 1 0 387.933 2.225 20 0 GEADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000884356606 653874163 /nfs/dbraw/zinc/87/41/63/653874163.db2.gz JBHVZSXKZLGAQV-STQMWFEESA-N 1 0 378.523 2.170 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884361095 653874171 /nfs/dbraw/zinc/87/41/71/653874171.db2.gz LYBINFZMBDDZBM-QWHCGFSZSA-N 1 0 389.315 2.017 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)COCCc2ccc(Br)cc2)CC1 ZINC000884381497 653874733 /nfs/dbraw/zinc/87/47/33/653874733.db2.gz HHMZRGNZYOCDHI-UHFFFAOYSA-N 1 0 399.329 2.235 20 0 GEADRO [NH3+][C@H](C(=O)N1CCn2c(CC3CC3)nnc2C1)c1ccc(Br)cc1 ZINC000884383246 653874814 /nfs/dbraw/zinc/87/48/14/653874814.db2.gz DTWJBDMFBWCVAR-INIZCTEOSA-N 1 0 390.285 2.035 20 0 GEADRO Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884390317 653875141 /nfs/dbraw/zinc/87/51/41/653875141.db2.gz SQQBDBVUQCXCEK-YOEHRIQHSA-N 1 0 390.281 2.341 20 0 GEADRO C[C@]12CCN(C(=O)[C@H]([NH3+])CC3CC3)C[C@H]1C2(Br)Br ZINC000884399761 653875377 /nfs/dbraw/zinc/87/53/77/653875377.db2.gz NFLQIIBGUDJHIO-FOGDFJRCSA-N 1 0 380.124 2.468 20 0 GEADRO O=C(c1nn2c(c1Br)CCC2)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000884395969 653875465 /nfs/dbraw/zinc/87/54/65/653875465.db2.gz PUMPWJJSEAEATM-CYBMUJFWSA-N 1 0 381.318 2.444 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC000823688179 653877044 /nfs/dbraw/zinc/87/70/44/653877044.db2.gz VSJOFWCWMRJLMZ-UHFFFAOYSA-N 1 0 387.322 2.195 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884454832 653877267 /nfs/dbraw/zinc/87/72/67/653877267.db2.gz WVOKKBWESVFASA-CYBMUJFWSA-N 1 0 377.242 2.115 20 0 GEADRO CC1(C)CC[NH2+]CCN1C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884467766 653877793 /nfs/dbraw/zinc/87/77/93/653877793.db2.gz DYHNWDBBERJLHI-CQSZACIVSA-N 1 0 381.270 2.131 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000884511239 653879299 /nfs/dbraw/zinc/87/92/99/653879299.db2.gz AWIYXGZRLNTZBE-UHFFFAOYSA-N 1 0 384.318 2.087 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000896430430 653879691 /nfs/dbraw/zinc/87/96/91/653879691.db2.gz XRZPYWCPTFGQGC-OLZOCXBDSA-N 1 0 388.990 2.303 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(O)c3ccc(F)c(Br)c3)C[C@@H]2C1 ZINC000823790873 653879732 /nfs/dbraw/zinc/87/97/32/653879732.db2.gz PYGHMSUWWBIVLZ-BWACUDIHSA-N 1 0 385.277 2.206 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]Cc2cc3cccnc3o2)CC1)C(F)(F)F ZINC000823847389 653881530 /nfs/dbraw/zinc/88/15/30/653881530.db2.gz MPJUFVMUUHYNBA-UHFFFAOYSA-N 1 0 377.388 2.479 20 0 GEADRO COc1ccc(CCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000896532730 653882635 /nfs/dbraw/zinc/88/26/35/653882635.db2.gz VGODNXSZFFELKH-SUMWQHHRSA-N 1 0 398.345 2.141 20 0 GEADRO C[C@H](NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896526841 653882654 /nfs/dbraw/zinc/88/26/54/653882654.db2.gz LPVNFZAZLYUKIE-KUZCPNRJSA-N 1 0 394.357 2.477 20 0 GEADRO C[C@@H](NC(=O)C(F)(F)c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896534271 653883172 /nfs/dbraw/zinc/88/31/72/653883172.db2.gz TXAUITJDRIDTSS-BXUZGUMPSA-N 1 0 390.272 2.291 20 0 GEADRO C[C@H](NC(=O)c1cc2c(cncc2Br)s1)[C@H]1C[N@H+](C)CCN1C ZINC000896534301 653883184 /nfs/dbraw/zinc/88/31/84/653883184.db2.gz LRKLEIQAIQPIHR-GXFFZTMASA-N 1 0 397.342 2.423 20 0 GEADRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896534218 653883239 /nfs/dbraw/zinc/88/32/39/653883239.db2.gz KYPWMWWSUSICTL-KKBVYLPWSA-N 1 0 380.330 2.303 20 0 GEADRO C[C@H](NC(=O)c1cc2c(Br)cccc2cn1)[C@@H]1C[N@H+](C)CCN1C ZINC000896538577 653883670 /nfs/dbraw/zinc/88/36/70/653883670.db2.gz FLZTWNHFHGTNFR-SJCJKPOMSA-N 1 0 391.313 2.361 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000884668770 653883920 /nfs/dbraw/zinc/88/39/20/653883920.db2.gz BQIZGLPKFHDZFS-UHFFFAOYSA-N 1 0 384.318 2.087 20 0 GEADRO O=C(NCc1ccc2ccc(Br)cc2c1)C(=O)NC1CC[NH2+]CC1 ZINC000884674952 653883977 /nfs/dbraw/zinc/88/39/77/653883977.db2.gz NBVOYNOPABLKBG-UHFFFAOYSA-N 1 0 390.281 2.087 20 0 GEADRO C[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@H]1C[N@H+](C)CCN1C ZINC000896544466 653884213 /nfs/dbraw/zinc/88/42/13/653884213.db2.gz FPZIXCRWKFXNBG-WCQYABFASA-N 1 0 381.933 2.166 20 0 GEADRO C[C@@H](NC(=O)c1cc(F)c(F)cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896552625 653884984 /nfs/dbraw/zinc/88/49/84/653884984.db2.gz MXPKQNYHLSSKDP-OTYXRUKQSA-N 1 0 376.245 2.091 20 0 GEADRO COC(=O)c1cccc(OCC(=[NH2+])NOCc2cc(Br)no2)c1 ZINC000793830714 653885952 /nfs/dbraw/zinc/88/59/52/653885952.db2.gz VKTMNGIFPRQCIP-UHFFFAOYSA-N 1 0 384.186 2.301 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884720953 653886042 /nfs/dbraw/zinc/88/60/42/653886042.db2.gz XBAKGUINNILDOI-TVQRCGJNSA-N 1 0 377.794 2.089 20 0 GEADRO C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)[C@H]1C[N@H+](C)CCN1C ZINC000896572527 653886366 /nfs/dbraw/zinc/88/63/66/653886366.db2.gz QDBCBVUDOITMNH-MEDUHNTESA-N 1 0 379.302 2.295 20 0 GEADRO COc1ccc(Cl)cc1C(F)(F)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000824158951 653887090 /nfs/dbraw/zinc/88/70/90/653887090.db2.gz XNCUDHMVPSUAPA-UHFFFAOYSA-N 1 0 376.831 2.356 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C[C@H]2C1 ZINC000896613342 653887951 /nfs/dbraw/zinc/88/79/51/653887951.db2.gz TXOODCLSOAFDOD-ZOWXZIJZSA-N 1 0 380.286 2.476 20 0 GEADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000846175822 653889017 /nfs/dbraw/zinc/88/90/17/653889017.db2.gz ZGVFBVCMAJFTJD-GHMZBOCLSA-N 1 0 391.265 2.096 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C=O)cc3Br)C[C@@H]2C1 ZINC000793926500 653889135 /nfs/dbraw/zinc/88/91/35/653889135.db2.gz FGLLZXKHCXXMGU-KGLIPLIRSA-N 1 0 381.270 2.051 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C[NH2+]1 ZINC000884820525 653890120 /nfs/dbraw/zinc/89/01/20/653890120.db2.gz SJBJBAGJYFYWQG-MWLCHTKSSA-N 1 0 377.794 2.232 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2csc(I)n2)C1 ZINC000824291080 653890868 /nfs/dbraw/zinc/89/08/68/653890868.db2.gz YFXSMVBJHBBURE-SECBINFHSA-N 1 0 379.267 2.208 20 0 GEADRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000846199624 653891029 /nfs/dbraw/zinc/89/10/29/653891029.db2.gz BORQHZFJXAZEOJ-ZDUSSCGKSA-N 1 0 386.539 2.396 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NCCC2CC[NH2+]CC2)c(Br)c1 ZINC000846212410 653891370 /nfs/dbraw/zinc/89/13/70/653891370.db2.gz JFZBLJXOPOLHFA-UHFFFAOYSA-N 1 0 398.301 2.425 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000846221734 653891865 /nfs/dbraw/zinc/89/18/65/653891865.db2.gz DLPASLFBVXXGCW-YXJHDRRASA-N 1 0 386.945 2.332 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000846226963 653891880 /nfs/dbraw/zinc/89/18/80/653891880.db2.gz FMLAWLMMBROLMC-NJAFHUGGSA-N 1 0 386.945 2.475 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC000846229542 653892073 /nfs/dbraw/zinc/89/20/73/653892073.db2.gz DFKULFIJCUNNRR-GYSYKLTISA-N 1 0 394.324 2.295 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000846233849 653892499 /nfs/dbraw/zinc/89/24/99/653892499.db2.gz ANNZVFGIHMAUJL-UHFFFAOYSA-N 1 0 395.294 2.265 20 0 GEADRO Cn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)[nH]c1=O ZINC000824380541 653893710 /nfs/dbraw/zinc/89/37/10/653893710.db2.gz PCLORDGQXOGDTI-UHFFFAOYSA-N 1 0 381.274 2.092 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C2 ZINC000884909238 653894567 /nfs/dbraw/zinc/89/45/67/653894567.db2.gz UZAOEYVKPANGTM-MQMHXKEQSA-N 1 0 394.313 2.233 20 0 GEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000846306557 653895176 /nfs/dbraw/zinc/89/51/76/653895176.db2.gz VWTWSJQXEJTANK-UHFFFAOYSA-N 1 0 389.905 2.014 20 0 GEADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cc3ccccc3nc2Br)CC1 ZINC000846322906 653895573 /nfs/dbraw/zinc/89/55/73/653895573.db2.gz PZMLUSWOAVIVOF-UHFFFAOYSA-N 1 0 391.269 2.181 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000884950724 653897062 /nfs/dbraw/zinc/89/70/62/653897062.db2.gz QOTWUHATZYWYQP-RYUDHWBXSA-N 1 0 389.880 2.343 20 0 GEADRO C[NH+]1CCC2(CCCN(S(=O)(=O)N=[S@](C)(=O)c3ccccc3)C2)CC1 ZINC000867224605 653897852 /nfs/dbraw/zinc/89/78/52/653897852.db2.gz BZDNEWQKVPZHQS-XMMPIXPASA-N 1 0 385.555 2.196 20 0 GEADRO COC1CC[NH+](CCNC(=O)COCCc2ccc(Br)cc2)CC1 ZINC000896884999 653898202 /nfs/dbraw/zinc/89/82/02/653898202.db2.gz WMYJASFKFBHJDS-UHFFFAOYSA-N 1 0 399.329 2.235 20 0 GEADRO Cc1cnc(Cl)c(S(=O)(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000884964672 653898883 /nfs/dbraw/zinc/89/88/83/653898883.db2.gz QRZWRAUYVZTWNA-UHFFFAOYSA-N 1 0 380.901 2.381 20 0 GEADRO CCOC(=O)c1cccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)n1 ZINC000896912036 653899382 /nfs/dbraw/zinc/89/93/82/653899382.db2.gz OYYYVSYCYLMMAS-UHFFFAOYSA-N 1 0 379.258 2.496 20 0 GEADRO COC(=O)c1cnc(CC[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000896929650 653899776 /nfs/dbraw/zinc/89/97/76/653899776.db2.gz FYTUODKGMPKNAM-LBPRGKRZSA-N 1 0 382.507 2.269 20 0 GEADRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000884990969 653903606 /nfs/dbraw/zinc/90/36/06/653903606.db2.gz ONOUXYMLPBCYDZ-OCCSQVGLSA-N 1 0 385.555 2.458 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824678188 653904876 /nfs/dbraw/zinc/90/48/76/653904876.db2.gz OUQQFRLZXUKDAK-ILXRZTDVSA-N 1 0 377.551 2.082 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000824677155 653904884 /nfs/dbraw/zinc/90/48/84/653904884.db2.gz AHAHLSWRBKABCY-RBSFLKMASA-N 1 0 377.551 2.082 20 0 GEADRO C[C@@H]([NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)C1CCS(=O)(=O)CC1 ZINC000824677620 653904948 /nfs/dbraw/zinc/90/49/48/653904948.db2.gz GVMRNDXJPMUPEP-DGCLKSJQSA-N 1 0 384.489 2.338 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1nn2c(c1Br)CCC2 ZINC000897057881 653905417 /nfs/dbraw/zinc/90/54/17/653905417.db2.gz HRZNGRCBKNYTPO-UHFFFAOYSA-N 1 0 392.301 2.191 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000846646107 653905466 /nfs/dbraw/zinc/90/54/66/653905466.db2.gz IZJYWZKLPIXMHL-UHFFFAOYSA-N 1 0 379.258 2.390 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000846678018 653906171 /nfs/dbraw/zinc/90/61/71/653906171.db2.gz VFGRWNYVUUDNEF-ZWNOBZJWSA-N 1 0 375.213 2.429 20 0 GEADRO [NH3+]CCC1CCN(C(=O)c2ccc3ncc(I)n3c2)CC1 ZINC000846695016 653906594 /nfs/dbraw/zinc/90/65/94/653906594.db2.gz FRDCMIQIMYCSJX-UHFFFAOYSA-N 1 0 398.248 2.140 20 0 GEADRO Cn1cc(Br)cc1C[N@H+](C)C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000794399368 653906977 /nfs/dbraw/zinc/90/69/77/653906977.db2.gz QKTVLYFQXKDPKU-AWEZNQCLSA-N 1 0 390.322 2.495 20 0 GEADRO CCn1ncc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1Br ZINC000824754155 653907545 /nfs/dbraw/zinc/90/75/45/653907545.db2.gz OYGAZXATJJHJST-CYBMUJFWSA-N 1 0 399.333 2.381 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl)c1cccs1 ZINC000846720954 653907691 /nfs/dbraw/zinc/90/76/91/653907691.db2.gz CXIWYSVMCFTOHL-LYRGGWFBSA-N 1 0 375.897 2.288 20 0 GEADRO COc1cc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc(OC)c1OCC(N)=O ZINC000824766637 653907839 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CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cnn(C(C)(C)C)c1Br ZINC000847001962 653915513 /nfs/dbraw/zinc/91/55/13/653915513.db2.gz OLZXEKQCDLMIMC-LBPRGKRZSA-N 1 0 389.338 2.223 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1Br ZINC000897348387 653917218 /nfs/dbraw/zinc/91/72/18/653917218.db2.gz FLLLKYVIYRJXLG-LLVKDONJSA-N 1 0 379.258 2.011 20 0 GEADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000794711548 653917437 /nfs/dbraw/zinc/91/74/37/653917437.db2.gz IZRNXEQYPRHAOP-INIZCTEOSA-N 1 0 378.274 2.171 20 0 GEADRO C[NH+]1CCC(OCC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000825174636 653919345 /nfs/dbraw/zinc/91/93/45/653919345.db2.gz MKTMMZRAIJOZAQ-UHFFFAOYSA-N 1 0 396.329 2.209 20 0 GEADRO [NH3+]CC[C@H](NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C(F)(F)F ZINC000825200299 653920746 /nfs/dbraw/zinc/92/07/46/653920746.db2.gz CNSBUOPRFWUYST-JTQLQIEISA-N 1 0 393.822 2.283 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000897460520 653922903 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CC[NH+]1CCN(CC(C)(C)NC(=O)c2cnc(F)c(Br)c2)CC1 ZINC000848211794 653964546 /nfs/dbraw/zinc/96/45/46/653964546.db2.gz XZQFRLKAIDWNRJ-UHFFFAOYSA-N 1 0 387.297 2.129 20 0 GEADRO Cn1nc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc1Br ZINC000826890365 653964829 /nfs/dbraw/zinc/96/48/29/653964829.db2.gz NRFATXFVMVPIOO-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO O=S(=O)(CCc1cccc(Cl)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000795836912 653969636 /nfs/dbraw/zinc/96/96/36/653969636.db2.gz FRXNFMZSSYXUHT-GOSISDBHSA-N 1 0 386.945 2.445 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(F)cc1Cl ZINC000795838374 653969667 /nfs/dbraw/zinc/96/96/67/653969667.db2.gz NONGWMKHTGGMNR-NSHDSACASA-N 1 0 392.880 2.228 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCCC2SCCS2)C1 ZINC000827012516 653970599 /nfs/dbraw/zinc/97/05/99/653970599.db2.gz ZPSPDILZLKTHEB-GASCZTMLSA-N 1 0 387.615 2.173 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000848332184 653970600 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Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000887032748 654015624 /nfs/dbraw/zinc/01/56/24/654015624.db2.gz OOACHICTKCKSHU-SNVBAGLBSA-N 1 0 390.228 2.057 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887036631 654016225 /nfs/dbraw/zinc/01/62/25/654016225.db2.gz KSHQEYZADPWOJS-KRWDZBQOSA-N 1 0 380.286 2.380 20 0 GEADRO CCOc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000887035860 654016230 /nfs/dbraw/zinc/01/62/30/654016230.db2.gz YRXJRJSMOBYWCP-JTQLQIEISA-N 1 0 375.803 2.038 20 0 GEADRO C[C@]1([NH3+])CCN(C(=O)c2cnn(-c3ccccc3)c2I)C1 ZINC000868080960 654017367 /nfs/dbraw/zinc/01/73/67/654017367.db2.gz JNFJZSYIUQWIFL-HNNXBMFYSA-N 1 0 396.232 2.040 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cc(Br)ncc2Br)CC1 ZINC000868089138 654018163 /nfs/dbraw/zinc/01/81/63/654018163.db2.gz NBKNUMBBOSZYIP-UHFFFAOYSA-N 1 0 393.079 2.362 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)NCCCNC(=O)c2cccs2)cc(Cl)n1 ZINC000828038050 654018930 /nfs/dbraw/zinc/01/89/30/654018930.db2.gz 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ZINC000868267682 654026557 /nfs/dbraw/zinc/02/65/57/654026557.db2.gz MGFHKYMMAGJKII-LBPRGKRZSA-N 1 0 398.301 2.291 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1C(F)(F)F ZINC000899671774 654026942 /nfs/dbraw/zinc/02/69/42/654026942.db2.gz CEVBCILDDQMOFO-UHFFFAOYSA-N 1 0 381.420 2.033 20 0 GEADRO O=C(NCc1ccc(Br)cn1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000868274714 654026958 /nfs/dbraw/zinc/02/69/58/654026958.db2.gz HLRTZNLMTBILCP-CYBMUJFWSA-N 1 0 397.317 2.144 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCSC2(CC(C(=O)OC)C2)C1 ZINC000899681202 654027444 /nfs/dbraw/zinc/02/74/44/654027444.db2.gz PPKWVLPPZYAJMO-DGSCNEQVSA-N 1 0 385.599 2.152 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H](NC(=S)NCC1CC[NH+](C)CC1)CCS2 ZINC000899682901 654027559 /nfs/dbraw/zinc/02/75/59/654027559.db2.gz UFZIGGNZSVXDHD-SWKXRBFHSA-N 1 0 385.599 2.010 20 0 GEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCSCCC(F)(F)F)C2)CC1 ZINC000868288446 654027774 /nfs/dbraw/zinc/02/77/74/654027774.db2.gz BLUKYJIYXNLZDY-ZDUSSCGKSA-N 1 0 382.496 2.140 20 0 GEADRO C[NH+]1CCC(NCc2cn(-c3cccc(I)c3)nn2)CC1 ZINC000899686522 654027999 /nfs/dbraw/zinc/02/79/99/654027999.db2.gz HUVYRDXAKWWURZ-UHFFFAOYSA-N 1 0 397.264 2.056 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000868302503 654029057 /nfs/dbraw/zinc/02/90/57/654029057.db2.gz HMRQSQGBEXSJIH-DTORHVGOSA-N 1 0 377.844 2.489 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000868303455 654029072 /nfs/dbraw/zinc/02/90/72/654029072.db2.gz AUPJBIDTZDAEOQ-KNVOCYPGSA-N 1 0 378.629 2.034 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000868303788 654029078 /nfs/dbraw/zinc/02/90/78/654029078.db2.gz ONIFHUHUIXIGOK-WJONMLJTSA-N 1 0 376.254 2.394 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868311730 654030040 /nfs/dbraw/zinc/03/00/40/654030040.db2.gz BVUVIAROKNQXSS-QGZVFWFLSA-N 1 0 397.317 2.315 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000868312122 654030045 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C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000900791689 654080289 /nfs/dbraw/zinc/08/02/89/654080289.db2.gz JCBSTDJPRWGHGV-KBPBESRZSA-N 1 0 395.301 2.088 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000900791690 654080318 /nfs/dbraw/zinc/08/03/18/654080318.db2.gz JCBSTDJPRWGHGV-KGLIPLIRSA-N 1 0 395.301 2.088 20 0 GEADRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850534072 654081566 /nfs/dbraw/zinc/08/15/66/654081566.db2.gz GEMMQFLVLNFXNF-FZMZJTMJSA-N 1 0 396.481 2.108 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000798937811 654081516 /nfs/dbraw/zinc/08/15/16/654081516.db2.gz PGPXLKJKCVSXHQ-IJEWVQPXSA-N 1 0 388.555 2.499 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850534075 654081589 /nfs/dbraw/zinc/08/15/89/654081589.db2.gz GEMMQFLVLNFXNF-SMDDNHRTSA-N 1 0 396.481 2.108 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C 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20 0 GEADRO CC[NH+]1CCC(CCNC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900840865 654084185 /nfs/dbraw/zinc/08/41/85/654084185.db2.gz BNVXZGDXGWFXIG-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cccc3scnc32)C1 ZINC000850590137 654084507 /nfs/dbraw/zinc/08/45/07/654084507.db2.gz XHDMCPBTSSWOOZ-MCIONIFRSA-N 1 0 381.523 2.346 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000916123034 654084683 /nfs/dbraw/zinc/08/46/83/654084683.db2.gz HBUKWTNTRWVDPX-DOMZBBRYSA-N 1 0 397.317 2.478 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000850592490 654084755 /nfs/dbraw/zinc/08/47/55/654084755.db2.gz SBJBSXIWMNFCNO-KOLCDFICSA-N 1 0 395.294 2.345 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(C)c(Br)n1)[C@H]1CC[N@H+](CC)C1 ZINC000850606324 654086319 /nfs/dbraw/zinc/08/63/19/654086319.db2.gz ALBIOEOPVCNCOR-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Br)cn3ccnc23)CCO1 ZINC000869313471 654086543 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CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(SC(F)(F)F)nc2)C1 ZINC000850681884 654093730 /nfs/dbraw/zinc/09/37/30/654093730.db2.gz DIJRVKZNUGRTQU-NSHDSACASA-N 1 0 376.404 2.233 20 0 GEADRO CC(C)(C)n1ncc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1Br ZINC000830155126 654101958 /nfs/dbraw/zinc/10/19/58/654101958.db2.gz JKKHFAXJJUEJGI-ZDUSSCGKSA-N 1 0 399.333 2.384 20 0 GEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NCC1([NH3+])CCCC1 ZINC000850729685 654102024 /nfs/dbraw/zinc/10/20/24/654102024.db2.gz RSVIXTMYBDBSSA-UHFFFAOYSA-N 1 0 389.905 2.156 20 0 GEADRO C[NH+]1CCN(c2ccccc2NC(=O)Cn2cc(Br)cn2)CC1 ZINC000916703021 654105585 /nfs/dbraw/zinc/10/55/85/654105585.db2.gz FAHPCMSRRGCZIV-UHFFFAOYSA-N 1 0 378.274 2.036 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000850831013 654108365 /nfs/dbraw/zinc/10/83/65/654108365.db2.gz RUXAZXMPKUIIFM-UHFFFAOYSA-N 1 0 381.782 2.415 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)CC[C@H]21 ZINC000901103124 654108879 /nfs/dbraw/zinc/10/88/79/654108879.db2.gz BHIYSPFYTKBTIO-SMDDNHRTSA-N 1 0 385.295 2.061 20 0 GEADRO C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000901139266 654111425 /nfs/dbraw/zinc/11/14/25/654111425.db2.gz PQLTUMLHPMOXCF-GOPGUHFVSA-N 1 0 375.296 2.378 20 0 GEADRO CN(Cc1ccc(Cl)cc1Cl)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000917063935 654112307 /nfs/dbraw/zinc/11/23/07/654112307.db2.gz WWKZFMOGNQLXNS-UHFFFAOYSA-N 1 0 385.295 2.399 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2sc(Br)cc2C1 ZINC000901150923 654112448 /nfs/dbraw/zinc/11/24/48/654112448.db2.gz QPYGUYSMBQUDJN-UHFFFAOYSA-N 1 0 383.315 2.467 20 0 GEADRO C[C@H](CNC(=O)c1cn(-c2ccccc2Br)nn1)[NH+]1CCCC1 ZINC000917100392 654113577 /nfs/dbraw/zinc/11/35/77/654113577.db2.gz HLCVVPKBDKYDTF-GFCCVEGCSA-N 1 0 378.274 2.244 20 0 GEADRO CC[NH+](CC)CCN(C(=O)/C=C\C=C(Cl)Cl)[C@H]1CCS(=O)(=O)C1 ZINC000901211803 654115390 /nfs/dbraw/zinc/11/53/90/654115390.db2.gz IERICMHVSPMISP-VGVVRCBHSA-N 1 0 383.341 2.219 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000901297834 654119468 /nfs/dbraw/zinc/11/94/68/654119468.db2.gz DXIKVAVYZSVJOE-KRWDZBQOSA-N 1 0 398.345 2.015 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2Br)[C@H](C)C1 ZINC000889009565 654120386 /nfs/dbraw/zinc/12/03/86/654120386.db2.gz LIJKGWUISBLLBJ-TZMCWYRMSA-N 1 0 387.322 2.049 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000799918666 654121004 /nfs/dbraw/zinc/12/10/04/654121004.db2.gz WKCAKINQGJJKTH-XHSDSOJGSA-N 1 0 382.302 2.409 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000799918664 654121022 /nfs/dbraw/zinc/12/10/22/654121022.db2.gz WKCAKINQGJJKTH-OAGGEKHMSA-N 1 0 382.302 2.409 20 0 GEADRO Cc1c(Br)cncc1C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000851000385 654120958 /nfs/dbraw/zinc/12/09/58/654120958.db2.gz UMZDROANNFVBIP-NSHDSACASA-N 1 0 392.257 2.351 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000869775813 654121987 /nfs/dbraw/zinc/12/19/87/654121987.db2.gz UBRNVEFLLBBABB-HYEYJGRESA-N 1 0 393.325 2.296 20 0 GEADRO CO[C@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1Br ZINC000869776343 654122122 /nfs/dbraw/zinc/12/21/22/654122122.db2.gz CYWDJMIUQVZRAW-WFASDCNBSA-N 1 0 385.302 2.098 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)C1 ZINC000869774777 654122155 /nfs/dbraw/zinc/12/21/55/654122155.db2.gz FTRYNXHEDZNPJM-PQEBFOHHSA-N 1 0 393.325 2.296 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000869777137 654122380 /nfs/dbraw/zinc/12/23/80/654122380.db2.gz ASYWCKIIHIUPBA-JTQLQIEISA-N 1 0 376.682 2.073 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869782810 654124187 /nfs/dbraw/zinc/12/41/87/654124187.db2.gz SHQHPQJOWVGWBY-STQMWFEESA-N 1 0 385.302 2.178 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cscc2Br)CC1 ZINC000917551160 654127543 /nfs/dbraw/zinc/12/75/43/654127543.db2.gz CGQQIKSOOZXWPK-UHFFFAOYSA-N 1 0 397.360 2.024 20 0 GEADRO COCC[NH+]1CCC(NC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000889191814 654128013 /nfs/dbraw/zinc/12/80/13/654128013.db2.gz FQNRKVKZOGXIRU-UHFFFAOYSA-N 1 0 383.802 2.325 20 0 GEADRO CN(CC(=O)OCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000800075658 654127972 /nfs/dbraw/zinc/12/79/72/654127972.db2.gz CEPRLPAKRMXJML-UHFFFAOYSA-N 1 0 388.917 2.380 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000889218609 654133073 /nfs/dbraw/zinc/13/30/73/654133073.db2.gz UOVYHAMHUBQNJO-UHFFFAOYSA-N 1 0 390.285 2.340 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000830687225 654136138 /nfs/dbraw/zinc/13/61/38/654136138.db2.gz BLGKQEVDDKGCNH-DTWKUNHWSA-N 1 0 382.711 2.259 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)OCc3ccc(Br)cc3)C2)CC1 ZINC000917892063 654137034 /nfs/dbraw/zinc/13/70/34/654137034.db2.gz WABOZCIUSPAMDM-UHFFFAOYSA-N 1 0 382.302 2.265 20 0 GEADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3c(Cl)cc(F)cc3Cl)C2)CC1 ZINC000917899410 654137582 /nfs/dbraw/zinc/13/75/82/654137582.db2.gz VCLKFXJITRQRRZ-UHFFFAOYSA-N 1 0 396.315 2.000 20 0 GEADRO C[NH+]1CCN(CC2CN(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000917899854 654137622 /nfs/dbraw/zinc/13/76/22/654137622.db2.gz YUEVSFYXZOZZGR-UHFFFAOYSA-N 1 0 392.352 2.002 20 0 GEADRO O=C1[C@@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)CCN1c1ccccc1 ZINC000901726834 654143557 /nfs/dbraw/zinc/14/35/57/654143557.db2.gz BYBODJSLXBQJTJ-JSGCOSHPSA-N 1 0 375.270 2.356 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1nnnn1-c1ccccc1 ZINC000901727042 654143691 /nfs/dbraw/zinc/14/36/91/654143691.db2.gz CJTGDQYISPHLGK-NWDGAFQWSA-N 1 0 388.273 2.287 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NCCc1ccccc1 ZINC000901731212 654144725 /nfs/dbraw/zinc/14/47/25/654144725.db2.gz ZGGZRSPRWAEQPL-HIFRSBDPSA-N 1 0 391.313 2.297 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000800472286 654146618 /nfs/dbraw/zinc/14/66/18/654146618.db2.gz JUFPDYGOTBFBNA-MNOVXSKESA-N 1 0 389.240 2.249 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+][C@H]3COc4cc(F)c(Br)cc43)CC2)N1 ZINC000800539818 654148407 /nfs/dbraw/zinc/14/84/07/654148407.db2.gz NVFGAUBDXVHTEF-AEMDZJFISA-N 1 0 398.232 2.132 20 0 GEADRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3cc4nc(Cl)ncc4s3)C[C@@]2(C)C1 ZINC000918369142 654149841 /nfs/dbraw/zinc/14/98/41/654149841.db2.gz QCJQQCRQVRWTHN-HUUCEWRRSA-N 1 0 386.930 2.307 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)n1 ZINC000889646903 654155351 /nfs/dbraw/zinc/15/53/51/654155351.db2.gz RYYQNXHZLOXIOK-UHFFFAOYSA-N 1 0 395.236 2.475 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)OC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851465899 654156099 /nfs/dbraw/zinc/15/60/99/654156099.db2.gz MJFUVMDGFYXGFX-INIZCTEOSA-N 1 0 391.265 2.429 20 0 GEADRO Cn1nc(C(F)(F)F)cc1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000831027336 654156325 /nfs/dbraw/zinc/15/63/25/654156325.db2.gz GEULMVOQBOTUQD-GFCCVEGCSA-N 1 0 376.448 2.273 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCc2sccc2Br)C1 ZINC000889652300 654156646 /nfs/dbraw/zinc/15/66/46/654156646.db2.gz SQNKHDOYVHELDC-NSHDSACASA-N 1 0 390.347 2.198 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CSC(F)(F)F)CC1 ZINC000918696910 654158428 /nfs/dbraw/zinc/15/84/28/654158428.db2.gz JNZXBPSAMMNDMW-UHFFFAOYSA-N 1 0 383.480 2.326 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000918893033 654164840 /nfs/dbraw/zinc/16/48/40/654164840.db2.gz NYVLMSFOXPXTHF-TZMCWYRMSA-N 1 0 380.290 2.322 20 0 GEADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)c1cc3c(cc1Cl)CCC3=O)CC2 ZINC000918899791 654165363 /nfs/dbraw/zinc/16/53/63/654165363.db2.gz KODBFWRCNVGGCK-UHFFFAOYSA-N 1 0 377.853 2.193 20 0 GEADRO O=C(c1ccc(Br)c(F)c1F)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889742722 654165620 /nfs/dbraw/zinc/16/56/20/654165620.db2.gz BCGMTPGSMBWUJY-OLZOCXBDSA-N 1 0 389.240 2.399 20 0 GEADRO O=C(c1ccc(SC(F)(F)F)nc1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889745312 654166130 /nfs/dbraw/zinc/16/61/30/654166130.db2.gz STJBOGLANYMIGC-QWHCGFSZSA-N 1 0 375.416 2.365 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(OC3CC3)cc2)C[C@H]1[NH+]1CCCC1 ZINC000831136118 654166523 /nfs/dbraw/zinc/16/65/23/654166523.db2.gz ZCCVLTPCYZAMGO-QZTJIDSGSA-N 1 0 382.551 2.428 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000918956237 654166827 /nfs/dbraw/zinc/16/68/27/654166827.db2.gz KZMBVVUVWHGTRS-AWEZNQCLSA-N 1 0 385.288 2.210 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889748868 654166856 /nfs/dbraw/zinc/16/68/56/654166856.db2.gz IASHIIHMPJAXDQ-HUUCEWRRSA-N 1 0 397.313 2.437 20 0 GEADRO O=C(c1nc(Br)sc1Cl)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889750980 654167223 /nfs/dbraw/zinc/16/72/23/654167223.db2.gz RGKLSRVAEWDSMU-DTWKUNHWSA-N 1 0 394.722 2.230 20 0 GEADRO Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889755106 654168240 /nfs/dbraw/zinc/16/82/40/654168240.db2.gz DISWMJREBRMAEF-IRXDYDNUSA-N 1 0 381.314 2.358 20 0 GEADRO O=C(c1cnc(Cl)c(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889755795 654168334 /nfs/dbraw/zinc/16/83/34/654168334.db2.gz KJQOUHSEFXIREB-STQMWFEESA-N 1 0 388.693 2.169 20 0 GEADRO C[C@]12CCN(C(=O)NC/C=C/C[NH3+])C[C@H]1C2(Br)Br ZINC000851667978 654168553 /nfs/dbraw/zinc/16/85/53/654168553.db2.gz QKFFRZVAUUZXTM-GZWSGWKISA-N 1 0 381.112 2.039 20 0 GEADRO C[C@]12CCN(C(=O)N[C@@H]3CCC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000851664248 654168601 /nfs/dbraw/zinc/16/86/01/654168601.db2.gz VAAOCJSQUSEQJF-FOGDFJRCSA-N 1 0 395.139 2.276 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000851689904 654169130 /nfs/dbraw/zinc/16/91/30/654169130.db2.gz VHRZHVCNUDHEHH-MEDUHNTESA-N 1 0 377.897 2.339 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831193941 654169716 /nfs/dbraw/zinc/16/97/16/654169716.db2.gz URPKUUGSSBCZKE-GJZGRUSLSA-N 1 0 382.302 2.266 20 0 GEADRO O=C(c1ccc(C(F)(F)F)nc1Cl)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889762352 654170007 /nfs/dbraw/zinc/17/00/07/654170007.db2.gz JFGCNPBFCLZPFM-VXGBXAGGSA-N 1 0 377.794 2.425 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccsc3Br)CC[C@H]21 ZINC000919103578 654170704 /nfs/dbraw/zinc/17/07/04/654170704.db2.gz KIOCGAQOJQTGFH-ZYHUDNBSSA-N 1 0 379.345 2.366 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)Cc3cccc(F)c3Br)CC[C@H]21 ZINC000919102654 654170841 /nfs/dbraw/zinc/17/08/41/654170841.db2.gz BVLLAMISBLIGDK-SMDDNHRTSA-N 1 0 391.306 2.444 20 0 GEADRO CN(C)c1nc2sc(C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)cc2s1 ZINC000889773666 654171944 /nfs/dbraw/zinc/17/19/44/654171944.db2.gz KHHVPFMYSJFROM-NWDGAFQWSA-N 1 0 380.539 2.095 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000851743111 654173756 /nfs/dbraw/zinc/17/37/56/654173756.db2.gz ZEBOKCZLLRSMFX-GOEBONIOSA-N 1 0 378.450 2.444 20 0 GEADRO COC(=O)[C@@H](C)C[N@H+](CCn1cnc(Br)n1)Cc1ccccc1 ZINC000851747171 654174402 /nfs/dbraw/zinc/17/44/02/654174402.db2.gz ROQFTKMWKVKTIZ-ZDUSSCGKSA-N 1 0 381.274 2.352 20 0 GEADRO O=C(Nc1cccc(F)c1Br)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000889806693 654174691 /nfs/dbraw/zinc/17/46/91/654174691.db2.gz LUQVANAZPZQSHH-YPMHNXCESA-N 1 0 384.249 2.270 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000801097125 654177640 /nfs/dbraw/zinc/17/76/40/654177640.db2.gz PKDCIJGGPBMAIV-UHFFFAOYSA-N 1 0 399.333 2.208 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000801156790 654180016 /nfs/dbraw/zinc/18/00/16/654180016.db2.gz FMPOXERXTFVDMH-UHFFFAOYSA-N 1 0 392.301 2.280 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C1 ZINC000851821689 654183675 /nfs/dbraw/zinc/18/36/75/654183675.db2.gz XPUKRJWLRRESNE-SNVBAGLBSA-N 1 0 378.853 2.028 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000851826637 654184195 /nfs/dbraw/zinc/18/41/95/654184195.db2.gz SHUHGDHHZWBYMV-MRXNPFEDSA-N 1 0 391.474 2.408 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cccc(F)c2Br)CC1 ZINC000890073676 654195607 /nfs/dbraw/zinc/19/56/07/654195607.db2.gz AKHDFHFXDBNPSZ-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1occc1Br ZINC000919968155 654197415 /nfs/dbraw/zinc/19/74/15/654197415.db2.gz YJWTXEWBSNWFAQ-NSHDSACASA-N 1 0 386.271 2.337 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000851881052 654199256 /nfs/dbraw/zinc/19/92/56/654199256.db2.gz WPUQCPKKVZMQKK-CQSZACIVSA-N 1 0 387.933 2.307 20 0 GEADRO CCO[C@@H](CNC(=O)c1cc2ccc(Br)cc2c(=O)o1)C[NH+](C)C ZINC000831696123 654200372 /nfs/dbraw/zinc/20/03/72/654200372.db2.gz QWBBYRQGIBQBNC-ZDUSSCGKSA-N 1 0 397.269 2.252 20 0 GEADRO CCO[C@H](CNC(=O)c1cc(Br)c2nccnc2c1)C[NH+](C)C ZINC000831693638 654200452 /nfs/dbraw/zinc/20/04/52/654200452.db2.gz BJCAZKVKRARBFA-GFCCVEGCSA-N 1 0 381.274 2.089 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000851887803 654200469 /nfs/dbraw/zinc/20/04/69/654200469.db2.gz ZMFHZIDSIYUQAQ-HNNXBMFYSA-N 1 0 388.917 2.274 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870854160 654200666 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C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903221129 654228027 /nfs/dbraw/zinc/22/80/27/654228027.db2.gz PBOLSUCLTLSBGB-RYUDHWBXSA-N 1 0 378.416 2.499 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903225542 654228497 /nfs/dbraw/zinc/22/84/97/654228497.db2.gz IXYABBQDKXDAGG-NSHDSACASA-N 1 0 397.360 2.027 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000871358351 654228671 /nfs/dbraw/zinc/22/86/71/654228671.db2.gz RNCHPLBYHXCTFQ-UHFFFAOYSA-N 1 0 393.962 2.059 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000871362703 654228856 /nfs/dbraw/zinc/22/88/56/654228856.db2.gz HREBLBJAVJXEHV-UHFFFAOYSA-N 1 0 385.306 2.169 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000871355706 654228914 /nfs/dbraw/zinc/22/89/14/654228914.db2.gz NXKZYPOQBYFSIW-UHFFFAOYSA-N 1 0 386.290 2.151 20 0 GEADRO COc1ccc([C@H](CC(C)C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000903226061 654228991 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WWHMGWCUGMJCLT-KJODXLCESA-N 1 0 384.295 2.433 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCc2cc(N(C)C)cc[nH+]2)ccc1Cl ZINC000921025353 654232592 /nfs/dbraw/zinc/23/25/92/654232592.db2.gz PAFYFODNYHYYOP-UHFFFAOYSA-N 1 0 383.857 2.066 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCCc2ncc(Br)cc21)N1CCCC1 ZINC000903291494 654232872 /nfs/dbraw/zinc/23/28/72/654232872.db2.gz ADUHUOSQFTYOSY-CQSZACIVSA-N 1 0 388.331 2.237 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000852336758 654233870 /nfs/dbraw/zinc/23/38/70/654233870.db2.gz QPJMINNEEMWEHJ-WOPDTQHZSA-N 1 0 391.323 2.244 20 0 GEADRO CO[C@]1(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CCS(=O)(=O)C1 ZINC000903363387 654235189 /nfs/dbraw/zinc/23/51/89/654235189.db2.gz NTFXYGQZUZAATP-KURKYZTESA-N 1 0 387.929 2.223 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)c(Br)c1 ZINC000903365190 654235882 /nfs/dbraw/zinc/23/58/82/654235882.db2.gz JIRHGOQTPNIYOM-IAQYHMDHSA-N 1 0 392.315 2.312 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)cc1Br ZINC000903366239 654236111 /nfs/dbraw/zinc/23/61/11/654236111.db2.gz CTLCZFOPHNDJSS-ABAIWWIYSA-N 1 0 392.315 2.312 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1Br ZINC000903366240 654236161 /nfs/dbraw/zinc/23/61/61/654236161.db2.gz CTLCZFOPHNDJSS-IAQYHMDHSA-N 1 0 392.315 2.312 20 0 GEADRO CO[C@@]1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CCS(=O)(=O)C1 ZINC000903367438 654236577 /nfs/dbraw/zinc/23/65/77/654236577.db2.gz YLTJNHVXHBNFMU-AVVWSFFYSA-N 1 0 388.327 2.488 20 0 GEADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000903424449 654238651 /nfs/dbraw/zinc/23/86/51/654238651.db2.gz VLTURJACPTWAFX-IRXDYDNUSA-N 1 0 386.539 2.036 20 0 GEADRO C[C@H]1CN(CN2Cc3ccc(Br)cc3C2=O)CC[N@@H+]1CC(C)(C)O ZINC000802738962 654238971 /nfs/dbraw/zinc/23/89/71/654238971.db2.gz QWUDFWNSRDWYTH-ZDUSSCGKSA-N 1 0 396.329 2.139 20 0 GEADRO C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(I)cc1 ZINC000903431990 654239053 /nfs/dbraw/zinc/23/90/53/654239053.db2.gz DUUPMIGEJBWFNQ-NSHDSACASA-N 1 0 399.232 2.294 20 0 GEADRO COC(=O)c1ncn(C[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)n1 ZINC000921187364 654239265 /nfs/dbraw/zinc/23/92/65/654239265.db2.gz CXNPQVRFFCXTEQ-AWEZNQCLSA-N 1 0 379.258 2.492 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)c1cccnc1Cl)CCS2(=O)=O ZINC000903451030 654239531 /nfs/dbraw/zinc/23/95/31/654239531.db2.gz BSFYRTDKLLBDIT-IRSUPMPHSA-N 1 0 386.901 2.285 20 0 GEADRO O=C(CN[C@H]1CC[NH2+]C12CCC2)Nc1ccc(I)cc1 ZINC000903465926 654240016 /nfs/dbraw/zinc/24/00/16/654240016.db2.gz NONYOSWUUNCKEZ-ZDUSSCGKSA-N 1 0 385.249 2.104 20 0 GEADRO COC(=O)c1cncc([C@@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000903479167 654240356 /nfs/dbraw/zinc/24/03/56/654240356.db2.gz JQXSQOUZLFLLFY-MFKMUULPSA-N 1 0 379.258 2.493 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903490252 654241182 /nfs/dbraw/zinc/24/11/82/654241182.db2.gz OETDGKHXMPVLCW-OAHLLOKOSA-N 1 0 384.299 2.305 20 0 GEADRO O=C(N(CCn1ccnc1)Cc1ccccc1Br)[C@]1(F)CC[NH2+]C1 ZINC000832182341 654243192 /nfs/dbraw/zinc/24/31/92/654243192.db2.gz JHNFQUSXGQSTRA-KRWDZBQOSA-N 1 0 395.276 2.376 20 0 GEADRO [NH3+][C@@H](CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)C1CC1 ZINC000832183093 654243282 /nfs/dbraw/zinc/24/32/82/654243282.db2.gz RFOGQDLNIWHJDB-INIZCTEOSA-N 1 0 384.293 2.360 20 0 GEADRO CC1CCC([NH+]2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)CC1 ZINC000852463633 654243743 /nfs/dbraw/zinc/24/37/43/654243743.db2.gz XZRJKPQMWYWILZ-OGCXEUMRSA-N 1 0 383.480 2.203 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC[C@H]1C(F)(F)F ZINC000903512092 654244000 /nfs/dbraw/zinc/24/40/00/654244000.db2.gz JZUGALOOXPJTCQ-GZMMTYOYSA-N 1 0 396.822 2.364 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000903513565 654244706 /nfs/dbraw/zinc/24/47/06/654244706.db2.gz OWRVTZNLCMKRPA-QWRGUYRKSA-N 1 0 379.295 2.477 20 0 GEADRO COCCCCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852532525 654245966 /nfs/dbraw/zinc/24/59/66/654245966.db2.gz LKPUEMNTBKZZCI-UHFFFAOYSA-N 1 0 378.258 2.336 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c1F ZINC000903519440 654247390 /nfs/dbraw/zinc/24/73/90/654247390.db2.gz WDIPRRJLBFLMIG-JTQLQIEISA-N 1 0 395.294 2.489 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1F ZINC000903521939 654248354 /nfs/dbraw/zinc/24/83/54/654248354.db2.gz IQFILDVHWNDRTB-UHFFFAOYSA-N 1 0 395.294 2.346 20 0 GEADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903525115 654249119 /nfs/dbraw/zinc/24/91/19/654249119.db2.gz OVHAEZPLKVEGMI-UHFFFAOYSA-N 1 0 379.707 2.355 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c1F ZINC000903525135 654249408 /nfs/dbraw/zinc/24/94/08/654249408.db2.gz ALSLLQGTIFROBI-UHFFFAOYSA-N 1 0 395.294 2.359 20 0 GEADRO C[C@]12CCN(C(=O)[C@H]3[NH2+]CC3(C)C)C[C@H]1C2(Br)Br ZINC000852901818 654266461 /nfs/dbraw/zinc/26/64/61/654266461.db2.gz SDUSZPCOTBAJIA-LNLATYFQSA-N 1 0 380.124 2.339 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCCN2S(=O)(=O)c1cc(F)ccc1Br ZINC000903536757 654251080 /nfs/dbraw/zinc/25/10/80/654251080.db2.gz IGBAHRYWODLTDD-QMTHXVAHSA-N 1 0 377.279 2.480 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000903537749 654251475 /nfs/dbraw/zinc/25/14/75/654251475.db2.gz AECZZJIITVNPND-UHFFFAOYSA-N 1 0 386.823 2.487 20 0 GEADRO CCOC(=O)c1ccsc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903538362 654251840 /nfs/dbraw/zinc/25/18/40/654251840.db2.gz AFRVXRWDBQPMEA-MNOVXSKESA-N 1 0 379.404 2.075 20 0 GEADRO Cn1ncc(S(=O)(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1C(F)(F)F ZINC000903546740 654253344 /nfs/dbraw/zinc/25/33/44/654253344.db2.gz PYSPDJINVIVXSQ-GFCCVEGCSA-N 1 0 380.436 2.111 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000903546870 654253368 /nfs/dbraw/zinc/25/33/68/654253368.db2.gz BPTNDVIHKFPVOV-ZDUSSCGKSA-N 1 0 378.416 2.142 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CC[NH2+]CCC12CCOCC2 ZINC000903549047 654254141 /nfs/dbraw/zinc/25/41/41/654254141.db2.gz CPQIXFSOYYYKHL-UHFFFAOYSA-N 1 0 376.881 2.153 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1Cl ZINC000903569747 654257541 /nfs/dbraw/zinc/25/75/41/654257541.db2.gz NLGSVQHUZVSDLV-MGCOHNPYSA-N 1 0 383.297 2.034 20 0 GEADRO Cc1cc(Br)ccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903572507 654258271 /nfs/dbraw/zinc/25/82/71/654258271.db2.gz UCXMBVQGQIIRRF-NXEZZACHSA-N 1 0 387.221 2.268 20 0 GEADRO O=S(=O)(CCc1cccs1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903573187 654258665 /nfs/dbraw/zinc/25/86/65/654258665.db2.gz GSIAOKQROUIWMY-AEFFLSMTSA-N 1 0 378.519 2.466 20 0 GEADRO CCc1ncc(S(=O)(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903573494 654258871 /nfs/dbraw/zinc/25/88/71/654258871.db2.gz JFBBEJNWRPYBBQ-SUMWQHHRSA-N 1 0 379.507 2.240 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@H]3CSCCS3)C2)[C@@H]1C(C)C ZINC000921390887 654260334 /nfs/dbraw/zinc/26/03/34/654260334.db2.gz XDTKRUUUPVNGJZ-QXUSFIETSA-N 1 0 387.615 2.004 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC[C@H]1C(F)(F)F ZINC000903578034 654260424 /nfs/dbraw/zinc/26/04/24/654260424.db2.gz AVECZVXONNMKNM-BDAKNGLRSA-N 1 0 377.310 2.001 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000903577977 654260439 /nfs/dbraw/zinc/26/04/39/654260439.db2.gz ABQFKUZSJZYOQY-VXNVDRBHSA-N 1 0 377.310 2.001 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC[C@@H]1C(F)(F)F ZINC000903578035 654260473 /nfs/dbraw/zinc/26/04/73/654260473.db2.gz AVECZVXONNMKNM-DTWKUNHWSA-N 1 0 377.310 2.001 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cc2N1 ZINC000871804840 654260787 /nfs/dbraw/zinc/26/07/87/654260787.db2.gz MOZHBTZLISLQGU-ZDUSSCGKSA-N 1 0 383.901 2.130 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[C@@H]1[NH3+] ZINC000871804221 654260828 /nfs/dbraw/zinc/26/08/28/654260828.db2.gz DTHIONFFJKSORK-RISCZKNCSA-N 1 0 385.917 2.363 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000903579500 654261105 /nfs/dbraw/zinc/26/11/05/654261105.db2.gz OAZKFDZEOLRTGC-NWDGAFQWSA-N 1 0 388.358 2.231 20 0 GEADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000871806273 654261178 /nfs/dbraw/zinc/26/11/78/654261178.db2.gz AAQGNTGGIGSPPT-GFCCVEGCSA-N 1 0 385.917 2.364 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)CC[C@H]1C(F)(F)F ZINC000903580156 654261386 /nfs/dbraw/zinc/26/13/86/654261386.db2.gz SIUHUOPFPZXGDU-NEPJUHHUSA-N 1 0 375.372 2.242 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)cc2N1 ZINC000871806723 654261594 /nfs/dbraw/zinc/26/15/94/654261594.db2.gz MPDKPRANULXYBT-ZFWWWQNUSA-N 1 0 383.901 2.130 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809505 654261977 /nfs/dbraw/zinc/26/19/77/654261977.db2.gz CIKPSOFPHOZNCD-ZDUSSCGKSA-N 1 0 376.881 2.057 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c(Cl)cc1F ZINC000871809959 654262044 /nfs/dbraw/zinc/26/20/44/654262044.db2.gz HCZIKZQGCSXBFL-LBPRGKRZSA-N 1 0 376.881 2.225 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC[C@@H]1C(F)(F)F ZINC000903581614 654262035 /nfs/dbraw/zinc/26/20/35/654262035.db2.gz NXLWEGBXSYTNRO-YUMQZZPRSA-N 1 0 378.203 2.289 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC[C@H]1C(F)(F)F ZINC000903581675 654262042 /nfs/dbraw/zinc/26/20/42/654262042.db2.gz RZFUNGRSUJRXBW-NXEZZACHSA-N 1 0 383.779 2.381 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C=C1CC[NH2+]CC1 ZINC000852827914 654262309 /nfs/dbraw/zinc/26/23/09/654262309.db2.gz CDVNHSMSMFWQTC-UHFFFAOYSA-N 1 0 378.372 2.237 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000871812103 654262817 /nfs/dbraw/zinc/26/28/17/654262817.db2.gz VUXYZSMFFPFXQR-KWQFWETISA-N 1 0 387.221 2.207 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cscc2Br)C[C@H]1C(F)(F)F ZINC000871812651 654263230 /nfs/dbraw/zinc/26/32/30/654263230.db2.gz JHUIYRNCAUIFMQ-RNFRBKRXSA-N 1 0 393.250 2.268 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000852855280 654263696 /nfs/dbraw/zinc/26/36/96/654263696.db2.gz YFUBVBUSPRDUJK-HNNXBMFYSA-N 1 0 391.269 2.032 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000903585250 654263692 /nfs/dbraw/zinc/26/36/92/654263692.db2.gz NLXNZNJOSDBMIU-SJCJKPOMSA-N 1 0 383.901 2.117 20 0 GEADRO C[C@@H](CNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)[NH+](C)C ZINC000832399643 654263883 /nfs/dbraw/zinc/26/38/83/654263883.db2.gz DVWKTLFEPPQLRA-JTQLQIEISA-N 1 0 375.288 2.052 20 0 GEADRO COc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)cnc1Cl ZINC000903589459 654264504 /nfs/dbraw/zinc/26/45/04/654264504.db2.gz VRAKABUUJQVODM-SNVBAGLBSA-N 1 0 385.848 2.209 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903589231 654264514 /nfs/dbraw/zinc/26/45/14/654264514.db2.gz NPAOTTQHNOPQDD-ABAIWWIYSA-N 1 0 389.315 2.268 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000903590088 654264725 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COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593712 654266155 /nfs/dbraw/zinc/26/61/55/654266155.db2.gz TUEYUKDLQQGDEF-GUYCJALGSA-N 1 0 388.917 2.270 20 0 GEADRO C[C@]12CCN(C(=O)C[C@H]3CCC[NH2+]3)C[C@H]1C2(Br)Br ZINC000852901844 654267126 /nfs/dbraw/zinc/26/71/26/654267126.db2.gz SWWQEVWGHCYMBA-FOGDFJRCSA-N 1 0 380.124 2.483 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C[NH3+])C2)ccc1Cl ZINC000832451943 654267694 /nfs/dbraw/zinc/26/76/94/654267694.db2.gz HBKKBGDGRWHIMJ-GFCCVEGCSA-N 1 0 387.933 2.228 20 0 GEADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)cc1 ZINC000903619049 654268728 /nfs/dbraw/zinc/26/87/28/654268728.db2.gz VXXYGKFQLYMFGB-BSEYFRJRSA-N 1 0 388.559 2.292 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000832491180 654269937 /nfs/dbraw/zinc/26/99/37/654269937.db2.gz UYBVKWJEBYVPCU-IUODEOHRSA-N 1 0 378.274 2.242 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000832495940 654270252 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CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000903756587 654282359 /nfs/dbraw/zinc/28/23/59/654282359.db2.gz SSJGFWAGSHOWDD-ZBFHGGJFSA-N 1 0 384.929 2.259 20 0 GEADRO CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755263 654282447 /nfs/dbraw/zinc/28/24/47/654282447.db2.gz DNNMPHLNWIPAMI-CVEARBPZSA-N 1 0 396.329 2.066 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1C)C(C)C ZINC000903811621 654284354 /nfs/dbraw/zinc/28/43/54/654284354.db2.gz DLJCQZCCDCINPZ-UHFFFAOYSA-N 1 0 384.318 2.172 20 0 GEADRO NS(=O)(=O)c1ccc(CC[NH2+][C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000832698249 654288372 /nfs/dbraw/zinc/28/83/72/654288372.db2.gz PRAZVVSRZBXCOV-QGZVFWFLSA-N 1 0 380.535 2.432 20 0 GEADRO COC[C@H]1C[NH2+]CCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000903881193 654289275 /nfs/dbraw/zinc/28/92/75/654289275.db2.gz ORSNBGRFUQRXTO-MRXNPFEDSA-N 1 0 377.286 2.326 20 0 GEADRO Fc1cccc([C@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)c1 ZINC000921603657 654290900 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CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971434 654293551 /nfs/dbraw/zinc/29/35/51/654293551.db2.gz BEWQJWZISCSZBN-HNNXBMFYSA-N 1 0 386.945 2.382 20 0 GEADRO CCO[C@H](CNS(=O)(=O)c1ccc(C)cc1Br)C[NH+](C)C ZINC000921633565 654296310 /nfs/dbraw/zinc/29/63/10/654296310.db2.gz GWFANVWSBHJBPI-GFCCVEGCSA-N 1 0 379.320 2.003 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891481931 654296334 /nfs/dbraw/zinc/29/63/34/654296334.db2.gz JBBDAQSBXBZMFU-WCQYABFASA-N 1 0 383.290 2.217 20 0 GEADRO CCO[C@H](CNS(=O)(=O)c1ccc(-c2csc(C)n2)s1)C[NH+](C)C ZINC000921643214 654297755 /nfs/dbraw/zinc/29/77/55/654297755.db2.gz MNXIGKOCNXEYFG-GFCCVEGCSA-N 1 0 389.568 2.425 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000832823748 654298696 /nfs/dbraw/zinc/29/86/96/654298696.db2.gz WEGXENOPNOJDPV-INIZCTEOSA-N 1 0 376.328 2.369 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)[C@@H](C)C1 ZINC000853485998 654298729 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GEADRO Cc1cc(C[NH2+]CCCS(C)(=O)=O)c(C)cc1I ZINC000921685281 654304421 /nfs/dbraw/zinc/30/44/21/654304421.db2.gz GBOQFIOGKPTAEL-UHFFFAOYSA-N 1 0 381.279 2.432 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000904299986 654307424 /nfs/dbraw/zinc/30/74/24/654307424.db2.gz SYBLCEWKQMXWSR-OAHLLOKOSA-N 1 0 397.317 2.405 20 0 GEADRO [NH3+][C@H]1C[C@@H](CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000904334144 654307698 /nfs/dbraw/zinc/30/76/98/654307698.db2.gz NCSNBNFHADEACT-TXEJJXNPSA-N 1 0 378.325 2.037 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H](SC)C2)c1 ZINC000921702800 654307952 /nfs/dbraw/zinc/30/79/52/654307952.db2.gz NNVCFFDUXIOJQV-YDHLFZDLSA-N 1 0 385.555 2.186 20 0 GEADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)NCCNC(=O)c1cccs1 ZINC000891746522 654309167 /nfs/dbraw/zinc/30/91/67/654309167.db2.gz IJCXSKRUSUBHNQ-UHFFFAOYSA-N 1 0 380.901 2.302 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(CN2Cc3cccc(Br)c3C2=O)CCO1 ZINC000853623357 654311055 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GEADRO COc1ccc(Cl)cc1CNC(=O)CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149205 654314349 /nfs/dbraw/zinc/31/43/49/654314349.db2.gz MCCOYFFMPYFGQI-WCQYABFASA-N 1 0 379.810 2.034 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148834 654314408 /nfs/dbraw/zinc/31/44/08/654314408.db2.gz KXKFVHXDXNIVBH-JLLWLGSASA-N 1 0 380.208 2.045 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)NCCCSc2ccccc2)C[C@H]1C(F)(F)F ZINC000872147078 654314573 /nfs/dbraw/zinc/31/45/73/654314573.db2.gz CUXJHTDMBUEVJY-UKRRQHHQSA-N 1 0 375.460 2.354 20 0 GEADRO [NH3+]CCN1CCC[C@@H](c2nc(Cc3cc(Br)ccc3F)no2)C1=O ZINC000904663783 654314725 /nfs/dbraw/zinc/31/47/25/654314725.db2.gz CEVYEQACAUYJCN-LBPRGKRZSA-N 1 0 397.248 2.227 20 0 GEADRO COc1ccc(Br)cc1-c1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1 ZINC000904664599 654314822 /nfs/dbraw/zinc/31/48/22/654314822.db2.gz FFDFAGSHDVKICC-HWPZZCPQSA-N 1 0 380.242 2.385 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000891856941 654315339 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C[C@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c2ccsc2S1(=O)=O ZINC000891910310 654318113 /nfs/dbraw/zinc/31/81/13/654318113.db2.gz RCEAPLYKKURXET-OBJOEFQTSA-N 1 0 385.555 2.433 20 0 GEADRO COC[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cccc(Br)c1 ZINC000872235947 654318653 /nfs/dbraw/zinc/31/86/53/654318653.db2.gz FASWVHJYIFIFNR-DOTOQJQBSA-N 1 0 388.302 2.283 20 0 GEADRO Brc1cnc(Br)c(-c2nc(N3CC[NH2+]CC3)no2)c1 ZINC000904740398 654319120 /nfs/dbraw/zinc/31/91/20/654319120.db2.gz GYTDRFKLGMCWKE-UHFFFAOYSA-N 1 0 389.051 2.066 20 0 GEADRO COc1c(Cl)cc(Cl)cc1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254607 654319842 /nfs/dbraw/zinc/31/98/42/654319842.db2.gz INLDUCPTWXWQSS-YUELXQCFSA-N 1 0 386.279 2.369 20 0 GEADRO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000872254810 654320013 /nfs/dbraw/zinc/32/00/13/654320013.db2.gz DGINLPCGDRWROC-KWCYVHTRSA-N 1 0 376.507 2.239 20 0 GEADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853767815 654319973 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CCOC(=O)COc1ccc(CC[NH2+]Cc2nc(Br)c[nH]2)cc1 ZINC000921802367 654325595 /nfs/dbraw/zinc/32/55/95/654325595.db2.gz PXEDQKMASFAUCM-UHFFFAOYSA-N 1 0 382.258 2.446 20 0 GEADRO C[NH+]1CCC(OCC(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000904962180 654325630 /nfs/dbraw/zinc/32/56/30/654325630.db2.gz VIYTXZFHGHVAIU-UHFFFAOYSA-N 1 0 394.273 2.079 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905008405 654326502 /nfs/dbraw/zinc/32/65/02/654326502.db2.gz CAOHJJFFQRXGLT-GOSISDBHSA-N 1 0 394.313 2.070 20 0 GEADRO Cc1c(Cl)ccc(C[NH2+]CCNS(=O)(=O)Cc2ccon2)c1Cl ZINC000921817460 654327321 /nfs/dbraw/zinc/32/73/21/654327321.db2.gz WZFZDDGKTDTVOS-UHFFFAOYSA-N 1 0 378.281 2.499 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892078134 654327471 /nfs/dbraw/zinc/32/74/71/654327471.db2.gz HPTGBLWMULCVSL-CYBMUJFWSA-N 1 0 384.318 2.136 20 0 GEADRO O=S(=O)(N1CCC([NH2+]Cc2cnn(CC3CCC3)c2)CC1)C(F)(F)F ZINC000921831973 654328789 /nfs/dbraw/zinc/32/87/89/654328789.db2.gz WJKZINXAJKFARF-UHFFFAOYSA-N 1 0 380.436 2.087 20 0 GEADRO O=C(NCC[NH2+]C[C@@H](O)CC1(O)CCCCC1)c1cccc(Br)c1 ZINC000905080854 654329965 /nfs/dbraw/zinc/32/99/65/654329965.db2.gz ODUQLPFHUNSCQV-INIZCTEOSA-N 1 0 399.329 2.215 20 0 GEADRO Cn1c(C(=O)N2CCO[C@@H](C[NH3+])C2)ccc1-c1ccc(Br)cc1 ZINC000834528988 654332191 /nfs/dbraw/zinc/33/21/91/654332191.db2.gz KSLRJJPSBWJUIQ-AWEZNQCLSA-N 1 0 378.270 2.254 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)NCC1(c2ccc(Br)cc2)CC1 ZINC000892170645 654332393 /nfs/dbraw/zinc/33/23/93/654332393.db2.gz VLCPZODEJGWNSN-HNNXBMFYSA-N 1 0 382.302 2.158 20 0 GEADRO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905122659 654333143 /nfs/dbraw/zinc/33/31/43/654333143.db2.gz BJHRQUQHPVPKLW-RRFJBIMHSA-N 1 0 378.604 2.252 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000892189356 654333385 /nfs/dbraw/zinc/33/33/85/654333385.db2.gz MTRIQYBQMQFQFX-UHFFFAOYSA-N 1 0 396.333 2.135 20 0 GEADRO Cn1cc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(Br)n1 ZINC000905133806 654333608 /nfs/dbraw/zinc/33/36/08/654333608.db2.gz APGMLFGRLJKOFD-LLVKDONJSA-N 1 0 386.319 2.346 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1nc(Br)cs1 ZINC000834551595 654333969 /nfs/dbraw/zinc/33/39/69/654333969.db2.gz GUUFBLAZRSTBEC-SECBINFHSA-N 1 0 382.349 2.228 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(Cl)c(Cl)c3)C2=O)n(C)n1 ZINC000905138897 654334198 /nfs/dbraw/zinc/33/41/98/654334198.db2.gz ZOPDRMXCLMAQPF-CABCVRRESA-N 1 0 383.279 2.464 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ncc(Br)cn1 ZINC000892212150 654334447 /nfs/dbraw/zinc/33/44/47/654334447.db2.gz NKANGYJXCKUJLU-OAHLLOKOSA-N 1 0 392.301 2.211 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1=O ZINC000905147610 654334629 /nfs/dbraw/zinc/33/46/29/654334629.db2.gz LEONDYVZVXJXCK-KHIZAZIESA-N 1 0 386.279 2.337 20 0 GEADRO O=S(=O)(c1cccc(Br)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000872437983 654335415 /nfs/dbraw/zinc/33/54/15/654335415.db2.gz KZKRYKABGLRJAQ-UHFFFAOYSA-N 1 0 388.331 2.483 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cnc(Cl)c(F)c2)Cc2ccccc2C1 ZINC000805016414 654335710 /nfs/dbraw/zinc/33/57/10/654335710.db2.gz OMDDPMIOJLIYGJ-UHFFFAOYSA-N 1 0 383.876 2.252 20 0 GEADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000872440652 654336282 /nfs/dbraw/zinc/33/62/82/654336282.db2.gz UHNUBBRHRHPGIX-HSZRJFAPSA-N 1 0 379.592 2.325 20 0 GEADRO O[C@H](C[NH2+]CCc1cc(Cl)ccc1Br)C[C@]1(O)CCOC1 ZINC000905176610 654336412 /nfs/dbraw/zinc/33/64/12/654336412.db2.gz MLYQKJOUPRDIRK-DZGCQCFKSA-N 1 0 378.694 2.137 20 0 GEADRO O[C@@H](C[NH2+]CCc1cc(Cl)ccc1Br)C[C@@]1(O)CCOC1 ZINC000905176611 654336511 /nfs/dbraw/zinc/33/65/11/654336511.db2.gz MLYQKJOUPRDIRK-HIFRSBDPSA-N 1 0 378.694 2.137 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(C)([NH3+])CC2)ccc1Cl ZINC000834589910 654336550 /nfs/dbraw/zinc/33/65/50/654336550.db2.gz YGXYTXPVOXQXSM-UHFFFAOYSA-N 1 0 387.933 2.324 20 0 GEADRO CC(C)(CNC(=O)N1CCn2ncc(Br)c2C1)C[NH+]1CCCC1 ZINC000854017984 654337305 /nfs/dbraw/zinc/33/73/05/654337305.db2.gz CEVSRAMCHJPDOJ-UHFFFAOYSA-N 1 0 384.322 2.293 20 0 GEADRO CC[C@@](O)(C[NH2+]Cc1ccc(S(=O)(=O)NCC(C)C)cc1)C(F)(F)F ZINC000905192079 654337774 /nfs/dbraw/zinc/33/77/74/654337774.db2.gz XVRYHLGVCQCCBD-OAHLLOKOSA-N 1 0 382.448 2.414 20 0 GEADRO O[C@H]1CCC[C@H]1[NH+]1CCN(c2ncc(Br)c3cccnc32)CC1 ZINC000892320705 654339819 /nfs/dbraw/zinc/33/98/19/654339819.db2.gz YKXVNIINCDFMJD-CABCVRRESA-N 1 0 377.286 2.428 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)n2)C[C@@H]1C ZINC000872455037 654340987 /nfs/dbraw/zinc/34/09/87/654340987.db2.gz XIAUDRIISIGPFU-RYUDHWBXSA-N 1 0 376.320 2.337 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000834668236 654341475 /nfs/dbraw/zinc/34/14/75/654341475.db2.gz IVMLHNCLXHAWDZ-SJORKVTESA-N 1 0 375.918 2.081 20 0 GEADRO CNS(=O)(=O)c1ccc(-c2noc(-c3cc4c(s3)CC[NH2+]C4)n2)cc1 ZINC000854137927 654341819 /nfs/dbraw/zinc/34/18/19/654341819.db2.gz SANWMGLHRIHWMU-UHFFFAOYSA-N 1 0 376.463 2.019 20 0 GEADRO O=S(=O)(c1cccc(Br)n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000872457813 654342045 /nfs/dbraw/zinc/34/20/45/654342045.db2.gz UPIGCBRHBPDBNN-ZDUSSCGKSA-N 1 0 388.331 2.341 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000892357713 654342567 /nfs/dbraw/zinc/34/25/67/654342567.db2.gz GSPRJWVDSUCMQT-CYBMUJFWSA-N 1 0 384.322 2.104 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1ccc(Br)cc1Cl ZINC000892372757 654343146 /nfs/dbraw/zinc/34/31/46/654343146.db2.gz XDNBPBKFIUYDFV-UHFFFAOYSA-N 1 0 390.709 2.358 20 0 GEADRO Cc1nc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c(Br)n1C ZINC000805061683 654343891 /nfs/dbraw/zinc/34/38/91/654343891.db2.gz SXZPKRYNPSFAQU-NSHDSACASA-N 1 0 393.351 2.034 20 0 GEADRO O[C@@H](C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1(O)CCOCC1 ZINC000905246267 654343994 /nfs/dbraw/zinc/34/39/94/654343994.db2.gz BZFPIXFBBBGCNO-XEZPLFJOSA-N 1 0 388.277 2.326 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905248979 654344514 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ZINC000834829757 654351748 /nfs/dbraw/zinc/35/17/48/654351748.db2.gz FAQXSQISLJOYNL-GFCCVEGCSA-N 1 0 397.875 2.083 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCc2c(F)cc(Br)cc2C1 ZINC000905342569 654351744 /nfs/dbraw/zinc/35/17/44/654351744.db2.gz JOIBJPDLEIFMNR-UHFFFAOYSA-N 1 0 391.306 2.276 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCCCc1nc(-c2ccncc2)cs1 ZINC000905340278 654351786 /nfs/dbraw/zinc/35/17/86/654351786.db2.gz LMQADSRZTVNKII-UHFFFAOYSA-N 1 0 380.539 2.057 20 0 GEADRO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000905341782 654351885 /nfs/dbraw/zinc/35/18/85/654351885.db2.gz BEDOCCOYIXZGJW-LLVKDONJSA-N 1 0 384.889 2.370 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000905357058 654352915 /nfs/dbraw/zinc/35/29/15/654352915.db2.gz IEYOCSUTCOFPDI-BLLLJJGKSA-N 1 0 388.917 2.174 20 0 GEADRO CCNC(=O)COc1ccc(C[NH2+]C[C@H]2C[C@]2(C)Br)cc1OC ZINC000892595177 654352997 /nfs/dbraw/zinc/35/29/97/654352997.db2.gz RQDBFBSESCZAIC-DYVFJYSZSA-N 1 0 385.302 2.473 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCc2cc(F)cc(Br)c2C1 ZINC000905361144 654353479 /nfs/dbraw/zinc/35/34/79/654353479.db2.gz FHCDECLLXRRFNG-UHFFFAOYSA-N 1 0 391.306 2.276 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)CCC1(O)CCC1)Cc1cccc(Br)c1 ZINC000905365561 654353682 /nfs/dbraw/zinc/35/36/82/654353682.db2.gz KFSGUSUPMPWPRY-RDJZCZTQSA-N 1 0 386.330 2.246 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1ccc2ncc(I)n2c1)C1CCCC1 ZINC000834868865 654354432 /nfs/dbraw/zinc/35/44/32/654354432.db2.gz RAPKUYGBRPEIPA-GFCCVEGCSA-N 1 0 398.248 2.186 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872490940 654354990 /nfs/dbraw/zinc/35/49/90/654354990.db2.gz OBMGSDHSPVPNHK-ABAIWWIYSA-N 1 0 385.917 2.328 20 0 GEADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]Cc1c(Br)cnn1C ZINC000905397806 654355296 /nfs/dbraw/zinc/35/52/96/654355296.db2.gz CXXWPSYEUBCOEW-BLLLJJGKSA-N 1 0 388.306 2.147 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1Br ZINC000834912459 654355556 /nfs/dbraw/zinc/35/55/56/654355556.db2.gz WVDHMXLPOKFCEN-SOUVJXGZSA-N 1 0 376.316 2.428 20 0 GEADRO O[C@H](C[NH2+]CCc1cc(Cl)cc(Br)c1)C[C@@]1(O)CCOC1 ZINC000905418193 654355881 /nfs/dbraw/zinc/35/58/81/654355881.db2.gz JVXKBYKVTWFXHX-GJZGRUSLSA-N 1 0 378.694 2.137 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC000922023230 654355953 /nfs/dbraw/zinc/35/59/53/654355953.db2.gz MWDADXWBNHFKLV-HNNXBMFYSA-N 1 0 380.432 2.144 20 0 GEADRO O=c1[nH]c(=O)n(C2CC2)cc1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000905428853 654356362 /nfs/dbraw/zinc/35/63/62/654356362.db2.gz XLESIMTUOPFPLX-CQSZACIVSA-N 1 0 398.232 2.009 20 0 GEADRO C[C@](O)(C[NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000905429096 654356736 /nfs/dbraw/zinc/35/67/36/654356736.db2.gz BOWTWBBANLQWLK-WFASDCNBSA-N 1 0 394.306 2.353 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000905433595 654357451 /nfs/dbraw/zinc/35/74/51/654357451.db2.gz ZIGUNFITOTZDBT-RYUDHWBXSA-N 1 0 382.309 2.290 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000892679257 654357575 /nfs/dbraw/zinc/35/75/75/654357575.db2.gz MPGYGLKPKDSCAV-SDDRHHMPSA-N 1 0 382.309 2.146 20 0 GEADRO O[C@@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)COCc1ccccc1Cl ZINC000905447787 654357856 /nfs/dbraw/zinc/35/78/56/654357856.db2.gz UXDPYKDGJIAFDI-JQWIXIFHSA-N 1 0 377.737 2.366 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1OC ZINC000892687412 654358652 /nfs/dbraw/zinc/35/86/52/654358652.db2.gz OHTUBFUYMALKKW-RISCZKNCSA-N 1 0 398.301 2.312 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000835046089 654359681 /nfs/dbraw/zinc/35/96/81/654359681.db2.gz SEBXIUGBSOXQSX-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO COc1cccc(C(=O)NCC[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892705018 654360521 /nfs/dbraw/zinc/36/05/21/654360521.db2.gz TXMFQSWAPAREBZ-UHFFFAOYSA-N 1 0 380.242 2.078 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892783903 654364163 /nfs/dbraw/zinc/36/41/63/654364163.db2.gz QYAIXIAPZAKSAE-ZDUSSCGKSA-N 1 0 386.290 2.342 20 0 GEADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892794417 654364622 /nfs/dbraw/zinc/36/46/22/654364622.db2.gz UGDZYYFKUBGNQS-CYBMUJFWSA-N 1 0 378.464 2.280 20 0 GEADRO C[C@@H](C[NH2+]C[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000905585114 654367886 /nfs/dbraw/zinc/36/78/86/654367886.db2.gz DAZJKRJKRWRSHT-FZMZJTMJSA-N 1 0 388.452 2.341 20 0 GEADRO O[C@@H](C[NH2+]CCOC1CCOCC1)COc1cc(F)cc(Br)c1 ZINC000905611458 654370091 /nfs/dbraw/zinc/37/00/91/654370091.db2.gz ZGMMCEDKZPDSQJ-AWEZNQCLSA-N 1 0 392.265 2.113 20 0 GEADRO Oc1cc(Br)cnc1C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000892928814 654370682 /nfs/dbraw/zinc/37/06/82/654370682.db2.gz KMGQBNIYOQDLIN-SNVBAGLBSA-N 1 0 389.196 2.357 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1cccc(Br)c1 ZINC000905627351 654370773 /nfs/dbraw/zinc/37/07/73/654370773.db2.gz ZSBPBTOJTVWFBL-IAGOWNOFSA-N 1 0 399.329 2.032 20 0 GEADRO C[C@H](C[NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Br)cc1 ZINC000905644302 654371570 /nfs/dbraw/zinc/37/15/70/654371570.db2.gz PPIPNAJEAKOKGN-GFCCVEGCSA-N 1 0 376.316 2.082 20 0 GEADRO C[NH+](C)CCNC(=S)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000905640972 654371651 /nfs/dbraw/zinc/37/16/51/654371651.db2.gz XORBZANPXXJNHN-UHFFFAOYSA-N 1 0 376.448 2.380 20 0 GEADRO CC[C@H](Sc1nc(CC(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1)C(N)=O ZINC000892962775 654372588 /nfs/dbraw/zinc/37/25/88/654372588.db2.gz PXOKISBUSLELCT-MCIONIFRSA-N 1 0 383.539 2.212 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000854642948 654372655 /nfs/dbraw/zinc/37/26/55/654372655.db2.gz OZXIKINTCVTBMG-QWHCGFSZSA-N 1 0 388.693 2.433 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000905684021 654373989 /nfs/dbraw/zinc/37/39/89/654373989.db2.gz YHALQYJKDFAWCG-KRWDZBQOSA-N 1 0 386.949 2.207 20 0 GEADRO CC[N@H+](CCNC(=O)NCc1cnc(Br)cn1)CCC(F)(F)F ZINC000922187526 654374363 /nfs/dbraw/zinc/37/43/63/654374363.db2.gz JGYQDIAXHPCXJC-UHFFFAOYSA-N 1 0 398.227 2.313 20 0 GEADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1ccc(Br)cc1=O ZINC000893006754 654375661 /nfs/dbraw/zinc/37/56/61/654375661.db2.gz FVGAZYTYAAOTBT-UKRRQHHQSA-N 1 0 384.318 2.332 20 0 GEADRO COC(=O)C[C@@H]1C[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C[C@H]1C ZINC000905711910 654376583 /nfs/dbraw/zinc/37/65/83/654376583.db2.gz JJRXUTFVKMGPRK-VXGBXAGGSA-N 1 0 394.269 2.248 20 0 GEADRO Cn1cc(C[NH2+]CCCO[C@@H]2CCCCO2)c(I)n1 ZINC000922231355 654376990 /nfs/dbraw/zinc/37/69/90/654376990.db2.gz MLZRMGJFBHGPRL-GFCCVEGCSA-N 1 0 379.242 2.048 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H](C(F)(F)F)O1 ZINC000872610900 654381029 /nfs/dbraw/zinc/38/10/29/654381029.db2.gz CAAPVRYTFXSAGR-SWLSCSKDSA-N 1 0 380.432 2.479 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000835344260 654381478 /nfs/dbraw/zinc/38/14/78/654381478.db2.gz YMPRLEMTRXICGH-QWHCGFSZSA-N 1 0 395.301 2.176 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000835365801 654383976 /nfs/dbraw/zinc/38/39/76/654383976.db2.gz RLVNKZRKUSKMRV-QGZVFWFLSA-N 1 0 395.301 2.035 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)s1 ZINC000835370902 654384624 /nfs/dbraw/zinc/38/46/24/654384624.db2.gz BHSRAPGNDFIYLM-VIFPVBQESA-N 1 0 382.877 2.061 20 0 GEADRO Cc1cc(NC(=O)COC2CC[NH+](C)CC2)ncc1I ZINC000905876439 654386695 /nfs/dbraw/zinc/38/66/95/654386695.db2.gz SQJGUQFEGHARAT-UHFFFAOYSA-N 1 0 389.237 2.044 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000872664135 654387316 /nfs/dbraw/zinc/38/73/16/654387316.db2.gz LZMFBIANAMRENA-QWHCGFSZSA-N 1 0 389.315 2.315 20 0 GEADRO O[C@H](C[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C[C@]1(O)CCOC1 ZINC000905904554 654389591 /nfs/dbraw/zinc/38/95/91/654389591.db2.gz KBPWWZZCUGLBOC-CKIKVBCHSA-N 1 0 379.341 2.388 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Br)c2)C1 ZINC000893224173 654390381 /nfs/dbraw/zinc/39/03/81/654390381.db2.gz ZSZIUQZCJZRXNZ-SNVBAGLBSA-N 1 0 381.723 2.474 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CCO[C@@H]1c1nnc(C)[nH]1 ZINC000922408421 654390875 /nfs/dbraw/zinc/39/08/75/654390875.db2.gz QJJXCIMMYHHWER-GWCFXTLKSA-N 1 0 382.262 2.147 20 0 GEADRO C[N@H+](CCN1CCN(CC[S@@](=O)C(F)(F)F)CC1)Cc1ccccc1 ZINC000905935351 654392093 /nfs/dbraw/zinc/39/20/93/654392093.db2.gz UTWAIIYHACRTHH-RUZDIDTESA-N 1 0 377.476 2.005 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(CN3C(=O)N[C@](C)(c4ccc(Cl)s4)C3=O)CC[C@H]21 ZINC000872725446 654393463 /nfs/dbraw/zinc/39/34/63/654393463.db2.gz FTEMCIOYKHOSAO-PSTGCABASA-N 1 0 382.917 2.152 20 0 GEADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncnc2cc(F)c(Br)cc21 ZINC000872758243 654394908 /nfs/dbraw/zinc/39/49/08/654394908.db2.gz WAVQKMRYOSONNQ-WDEREUQCSA-N 1 0 381.249 2.177 20 0 GEADRO C[C@]1(c2ccc(Br)cc2)CC(=O)N(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000872784530 654395185 /nfs/dbraw/zinc/39/51/85/654395185.db2.gz CUGYNLKEYAEGAO-FHSNZYRGSA-N 1 0 393.281 2.001 20 0 GEADRO O[C@H](C[NH+]1CC(Cc2cccc(Br)c2)C1)CC1(O)CCOCC1 ZINC000905977092 654396151 /nfs/dbraw/zinc/39/61/51/654396151.db2.gz FGOKUNJVTBRMEZ-KRWDZBQOSA-N 1 0 384.314 2.216 20 0 GEADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@]1(F)CCS(=O)(=O)C1 ZINC000905997286 654397431 /nfs/dbraw/zinc/39/74/31/654397431.db2.gz ZCPIYOJJOMVATO-QGZVFWFLSA-N 1 0 386.514 2.340 20 0 GEADRO C[C@H](C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(Br)c1 ZINC000922492494 654397384 /nfs/dbraw/zinc/39/73/84/654397384.db2.gz VQWYJAVCLRMYOR-LLVKDONJSA-N 1 0 397.360 2.200 20 0 GEADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccnc2Br)cn1 ZINC000922524188 654399820 /nfs/dbraw/zinc/39/98/20/654399820.db2.gz IOVLIFHWCOKNPC-HIFRSBDPSA-N 1 0 378.274 2.170 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCN(C)[C@H]2C)cc(I)c1OC ZINC000922557894 654401228 /nfs/dbraw/zinc/40/12/28/654401228.db2.gz VFWQLCRMZJUVJN-GWCFXTLKSA-N 1 0 390.265 2.491 20 0 GEADRO OC1(C[NH2+]Cc2c(F)cncc2Br)CCC2(CC1)OCCO2 ZINC000922619726 654404087 /nfs/dbraw/zinc/40/40/87/654404087.db2.gz ICCPKAICDUORAP-UHFFFAOYSA-N 1 0 375.238 2.121 20 0 GEADRO CCN1CC[C@@H]([NH2+]C2CC(S(C)(=O)=O)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000893497556 654404137 /nfs/dbraw/zinc/40/41/37/654404137.db2.gz GGLNMBOPAXMXQR-LRBMDJJVSA-N 1 0 376.444 2.404 20 0 GEADRO C[C@H](CNC(=O)NCc1ccc(C(F)(F)F)s1)C[NH+]1CCN(C)CC1 ZINC000872924190 654405610 /nfs/dbraw/zinc/40/56/10/654405610.db2.gz PDOUJYJLMHLQIZ-GFCCVEGCSA-N 1 0 378.464 2.450 20 0 GEADRO Fc1ccc(I)c(F)c1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922726262 654410297 /nfs/dbraw/zinc/41/02/97/654410297.db2.gz SBEWRESDUBWVJZ-KKFJDGPESA-N 1 0 395.187 2.463 20 0 GEADRO Cc1sc(C[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1Br ZINC000873015028 654410348 /nfs/dbraw/zinc/41/03/48/654410348.db2.gz WURHNYGACVAXBL-UHFFFAOYSA-N 1 0 396.310 2.324 20 0 GEADRO Cc1ccc(Br)c(F)c1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000873011439 654410369 /nfs/dbraw/zinc/41/03/69/654410369.db2.gz XGZLLTUYIILFCF-UHFFFAOYSA-N 1 0 379.295 2.410 20 0 GEADRO Oc1cc(Br)cnc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000893613429 654410683 /nfs/dbraw/zinc/41/06/83/654410683.db2.gz KAKZIQVHXZNUGH-UHFFFAOYSA-N 1 0 397.248 2.210 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000855321910 654411012 /nfs/dbraw/zinc/41/10/12/654411012.db2.gz BVWCNICSQFVVCF-FOGDFJRCSA-N 1 0 380.124 2.435 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cccc(Cl)c2Br)CC1 ZINC000873061785 654412360 /nfs/dbraw/zinc/41/23/60/654412360.db2.gz VDIDBCWMKPXUSF-UHFFFAOYSA-N 1 0 382.707 2.132 20 0 GEADRO Brc1cnn(C2(C[NH2+]Cc3cnc(N4CCCC4)nc3)CC2)c1 ZINC000922802996 654414431 /nfs/dbraw/zinc/41/44/31/654414431.db2.gz RJGZDNDSPBIJDS-UHFFFAOYSA-N 1 0 377.290 2.315 20 0 GEADRO OC[C@@H]([NH2+]Cc1cccc(F)c1I)C1CCOCC1 ZINC000873101958 654415309 /nfs/dbraw/zinc/41/53/09/654415309.db2.gz IQTNTEDRWDTLHC-CYBMUJFWSA-N 1 0 379.213 2.307 20 0 GEADRO CCSc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873105054 654415388 /nfs/dbraw/zinc/41/53/88/654415388.db2.gz SFCLCKRETVZIOP-ZWNOBZJWSA-N 1 0 375.416 2.333 20 0 GEADRO CCc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000873108648 654416009 /nfs/dbraw/zinc/41/60/09/654416009.db2.gz ZNMGCUTXUHEAKC-CMPLNLGQSA-N 1 0 377.794 2.437 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000906090992 654416220 /nfs/dbraw/zinc/41/62/20/654416220.db2.gz XHHWZDXGRVJQKB-GFCCVEGCSA-N 1 0 396.702 2.038 20 0 GEADRO C[C@@H](CCNC(=O)c1cccn2c(I)cnc12)[NH+](C)C ZINC000855415787 654418018 /nfs/dbraw/zinc/41/80/18/654418018.db2.gz OSYPTAURLLSRNX-JTQLQIEISA-N 1 0 386.237 2.009 20 0 GEADRO C[C@@H](CCNC(=O)c1ccc2ncc(I)n2c1)[NH+](C)C ZINC000855416237 654418029 /nfs/dbraw/zinc/41/80/29/654418029.db2.gz UTTMIHWCOPDDKR-JTQLQIEISA-N 1 0 386.237 2.009 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000855414994 654418188 /nfs/dbraw/zinc/41/81/88/654418188.db2.gz PGQAQNIXYCAEIN-UHFFFAOYSA-N 1 0 388.354 2.014 20 0 GEADRO C[C@H](CC(=O)N1CCC([NH2+]C2CCOCC2)CC1)n1cc(Br)cn1 ZINC000922887461 654418419 /nfs/dbraw/zinc/41/84/19/654418419.db2.gz OANMVQSZBYVFOI-CYBMUJFWSA-N 1 0 399.333 2.356 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906174104 654420046 /nfs/dbraw/zinc/42/00/46/654420046.db2.gz XHQQMAWTSJGLLQ-GFCCVEGCSA-N 1 0 382.302 2.407 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873168774 654420085 /nfs/dbraw/zinc/42/00/85/654420085.db2.gz FLOHGMBDEROGPV-FTNCPSPGSA-N 1 0 389.315 2.298 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]CCc2cccc3c2OCCO3)ccc1Cl ZINC000922943883 654421289 /nfs/dbraw/zinc/42/12/89/654421289.db2.gz CRRZHAVTAKPBEV-UHFFFAOYSA-N 1 0 382.869 2.091 20 0 GEADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000922972075 654422296 /nfs/dbraw/zinc/42/22/96/654422296.db2.gz FTPGUYANJSKKGR-CQSZACIVSA-N 1 0 382.258 2.167 20 0 GEADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000922972388 654422364 /nfs/dbraw/zinc/42/23/64/654422364.db2.gz IWHFUTIXSCUVFZ-HNNXBMFYSA-N 1 0 376.258 2.396 20 0 GEADRO Cn1nccc1[C@H](O)C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000922970230 654422377 /nfs/dbraw/zinc/42/23/77/654422377.db2.gz KXZWZHBVLWWZRQ-LLVKDONJSA-N 1 0 382.287 2.457 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](O)c1ccnn1C ZINC000922974415 654422695 /nfs/dbraw/zinc/42/26/95/654422695.db2.gz OLEVQNOHYUGLKR-KRWDZBQOSA-N 1 0 390.285 2.500 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCc4nnn(C)c4C3)cnc12 ZINC000922993089 654423066 /nfs/dbraw/zinc/42/30/66/654423066.db2.gz GXXXKNHFHCVFCT-GFCCVEGCSA-N 1 0 375.274 2.181 20 0 GEADRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1c(I)cnn1C ZINC000873276012 654423653 /nfs/dbraw/zinc/42/36/53/654423653.db2.gz MCHUZZFVIISCPA-FZMZJTMJSA-N 1 0 384.265 2.073 20 0 GEADRO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1c(I)cnn1C ZINC000873275631 654423679 /nfs/dbraw/zinc/42/36/79/654423679.db2.gz INOAPBIQZSLKBQ-NWDGAFQWSA-N 1 0 376.286 2.425 20 0 GEADRO Cc1cc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cnc1Br ZINC000873317591 654424323 /nfs/dbraw/zinc/42/43/23/654424323.db2.gz QOBUDRHILRELPO-CYBMUJFWSA-N 1 0 383.290 2.433 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1Br ZINC000873324878 654424811 /nfs/dbraw/zinc/42/48/11/654424811.db2.gz UPQWTLQIYBVLJH-MGPLVRAMSA-N 1 0 382.258 2.309 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000873332156 654425205 /nfs/dbraw/zinc/42/52/05/654425205.db2.gz GUNICVMCRPDPBZ-VPOLOUISSA-N 1 0 377.329 2.265 20 0 GEADRO COc1cc(Br)c(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)cc1OC ZINC000923026413 654425523 /nfs/dbraw/zinc/42/55/23/654425523.db2.gz XMHAJSRFDWLCST-CVEARBPZSA-N 1 0 386.286 2.486 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1cnnn1-c1ccccc1Br)C1CC1 ZINC000906337193 654428134 /nfs/dbraw/zinc/42/81/34/654428134.db2.gz BOBHLWTYBGTYEK-AWEZNQCLSA-N 1 0 378.274 2.100 20 0 GEADRO C[NH+]1CCC(OCC(=O)OCc2ccccc2I)CC1 ZINC000906351304 654430004 /nfs/dbraw/zinc/43/00/04/654430004.db2.gz PNTLBTCWJPFNSM-UHFFFAOYSA-N 1 0 389.233 2.445 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000855639936 654430819 /nfs/dbraw/zinc/43/08/19/654430819.db2.gz PXYFMUHNKUNOGA-UHFFFAOYSA-N 1 0 387.933 2.004 20 0 GEADRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)nnn1-c1ccccc1Br ZINC000906358403 654431201 /nfs/dbraw/zinc/43/12/01/654431201.db2.gz HWYRFGLVWFNNDI-GFCCVEGCSA-N 1 0 378.274 2.020 20 0 GEADRO Cn1ncc(I)c1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000893986591 654436072 /nfs/dbraw/zinc/43/60/72/654436072.db2.gz PNLSKPGEOAEGDD-CYBMUJFWSA-N 1 0 388.297 2.475 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000894031676 654440769 /nfs/dbraw/zinc/44/07/69/654440769.db2.gz IDZRYOALHBKZKL-AEGPPILISA-N 1 0 390.343 2.013 20 0 GEADRO Cn1ncc(I)c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000894039756 654441583 /nfs/dbraw/zinc/44/15/83/654441583.db2.gz LQTYZTZZMZOIHF-ZDUSSCGKSA-N 1 0 388.297 2.475 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000923294798 654442358 /nfs/dbraw/zinc/44/23/58/654442358.db2.gz PXNORGCWLDCOAW-GFCCVEGCSA-N 1 0 382.306 2.445 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2c(I)cnn2C)[C@H](C)C1 ZINC000894049625 654442672 /nfs/dbraw/zinc/44/26/72/654442672.db2.gz IBESKTMFOBVMIF-YPMHNXCESA-N 1 0 376.286 2.187 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(Cc2c(I)cnn2C)C1 ZINC000894062921 654443640 /nfs/dbraw/zinc/44/36/40/654443640.db2.gz GVMFWKPZNUGPLQ-GFCCVEGCSA-N 1 0 376.286 2.188 20 0 GEADRO CC[NH+]1CCC(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)CC1 ZINC000906502103 654444453 /nfs/dbraw/zinc/44/44/53/654444453.db2.gz FVXURRJUJCNXJL-UHFFFAOYSA-N 1 0 392.297 2.365 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000873652030 654444762 /nfs/dbraw/zinc/44/47/62/654444762.db2.gz FLEGERZMPMOFRI-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO [NH3+]C[C@@H]1C[C@H](F)CN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923345104 654445821 /nfs/dbraw/zinc/44/58/21/654445821.db2.gz UQLNJWOJJWGMCQ-SRVKXCTJSA-N 1 0 381.673 2.213 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000894090347 654446193 /nfs/dbraw/zinc/44/61/93/654446193.db2.gz SKQRONQWBWLRFC-GUTXKFCHSA-N 1 0 387.343 2.441 20 0 GEADRO COC(=O)c1cc(Br)c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000923358966 654446512 /nfs/dbraw/zinc/44/65/12/654446512.db2.gz NLFUMBIBNANBKG-ABAIWWIYSA-N 1 0 383.286 2.428 20 0 GEADRO [NH3+][C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Br)CC[C@H]1F ZINC000923394865 654448973 /nfs/dbraw/zinc/44/89/73/654448973.db2.gz HBUFHTVOGQGXQX-CYZMBNFOSA-N 1 0 381.673 2.213 20 0 GEADRO OCC[NH2+][C@H]1CCCN(Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000923405072 654450179 /nfs/dbraw/zinc/45/01/79/654450179.db2.gz ALGYZZZMIDMAPU-AWEZNQCLSA-N 1 0 385.302 2.157 20 0 GEADRO O=C(CN1CCC[C@H]([NH2+]CCO)C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000923404530 654450205 /nfs/dbraw/zinc/45/02/05/654450205.db2.gz XNCKNSNWMCZDOP-LBPRGKRZSA-N 1 0 379.810 2.344 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cn3cc(Cl)cn3)s2)C1 ZINC000906597786 654452409 /nfs/dbraw/zinc/45/24/09/654452409.db2.gz OKGHMLRUJODXAO-CQSZACIVSA-N 1 0 382.917 2.487 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCCOCC(F)(F)F ZINC000894171827 654452661 /nfs/dbraw/zinc/45/26/61/654452661.db2.gz BICHLVPMULRRRM-UHFFFAOYSA-N 1 0 377.148 2.083 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873718355 654453697 /nfs/dbraw/zinc/45/36/97/654453697.db2.gz NZNZGEQNWHBAOE-LLVKDONJSA-N 1 0 391.269 2.146 20 0 GEADRO [NH3+][C@@]1(CO)CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923478219 654454538 /nfs/dbraw/zinc/45/45/38/654454538.db2.gz XUTKKHVHPUOJLP-WMZOPIPTSA-N 1 0 386.323 2.443 20 0 GEADRO Cc1ccc([C@@H](C[NH2+]Cc2nc(Br)nn2C)N2CCOCC2)cc1 ZINC000894196814 654454770 /nfs/dbraw/zinc/45/47/70/654454770.db2.gz DDWSYNYUQVILHN-OAHLLOKOSA-N 1 0 394.317 2.049 20 0 GEADRO COCCOCCOc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1Br ZINC000906641006 654456056 /nfs/dbraw/zinc/45/60/56/654456056.db2.gz VNJHJGGMSIVSOJ-HNNXBMFYSA-N 1 0 389.290 2.413 20 0 GEADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3nc(Br)nn3C)CC2)cc1 ZINC000894221062 654457138 /nfs/dbraw/zinc/45/71/38/654457138.db2.gz MCMXIMVVYGHDBL-UHFFFAOYSA-N 1 0 392.301 2.280 20 0 GEADRO COc1cccc2c1OC[C@H]([NH2+]Cc1cn(C)nc1I)C2 ZINC000894226046 654457799 /nfs/dbraw/zinc/45/77/99/654457799.db2.gz NRPNYVNQLXLLMR-GFCCVEGCSA-N 1 0 399.232 2.127 20 0 GEADRO C[C@H]1CN(CC(=O)Nc2ccccc2I)CC[C@@H]1C[NH3+] ZINC000923507910 654458117 /nfs/dbraw/zinc/45/81/17/654458117.db2.gz LDHGMAICILBUEB-NWDGAFQWSA-N 1 0 387.265 2.146 20 0 GEADRO Cc1cc(OCC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccc1Br ZINC000906676862 654459266 /nfs/dbraw/zinc/45/92/66/654459266.db2.gz HKCHBOTUVNUCNN-AWEZNQCLSA-N 1 0 398.345 2.136 20 0 GEADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)CC1 ZINC000873758515 654459656 /nfs/dbraw/zinc/45/96/56/654459656.db2.gz VPHRCMNMKPFWJS-UHFFFAOYSA-N 1 0 392.258 2.298 20 0 GEADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cn(C)nc1I ZINC000894258405 654459905 /nfs/dbraw/zinc/45/99/05/654459905.db2.gz ASZTWDIUMAJFMQ-BXUZGUMPSA-N 1 0 385.249 2.279 20 0 GEADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC[NH+](C2CCC2)CC1 ZINC000906688385 654460154 /nfs/dbraw/zinc/46/01/54/654460154.db2.gz IOOWGNLTPOTIRN-UHFFFAOYSA-N 1 0 380.286 2.256 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000923530187 654462367 /nfs/dbraw/zinc/46/23/67/654462367.db2.gz GSWNTYHTTZYKIV-UHFFFAOYSA-N 1 0 382.306 2.399 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000906705392 654462835 /nfs/dbraw/zinc/46/28/35/654462835.db2.gz GYFWZGVUXIYGTR-AWEZNQCLSA-N 1 0 398.301 2.289 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000906705394 654462925 /nfs/dbraw/zinc/46/29/25/654462925.db2.gz GYFWZGVUXIYGTR-CQSZACIVSA-N 1 0 398.301 2.289 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906715906 654463801 /nfs/dbraw/zinc/46/38/01/654463801.db2.gz BPTNPFZJTYOCFF-UHFFFAOYSA-N 1 0 398.276 2.484 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906716052 654463900 /nfs/dbraw/zinc/46/39/00/654463900.db2.gz DWBOHEJFHXPIFN-UHFFFAOYSA-N 1 0 384.249 2.175 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000906715889 654463935 /nfs/dbraw/zinc/46/39/35/654463935.db2.gz ATOVMNSPBRXBKD-UHFFFAOYSA-N 1 0 380.286 2.344 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1Br ZINC000906726849 654464731 /nfs/dbraw/zinc/46/47/31/654464731.db2.gz JFXPFQLCKFUKOT-MVWJERBFSA-N 1 0 384.299 2.119 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1Br ZINC000906727309 654464988 /nfs/dbraw/zinc/46/49/88/654464988.db2.gz OIBGSFNSZAEYPC-HBNTYKKESA-N 1 0 386.677 2.359 20 0 GEADRO COC(=O)[C@H]1[C@H](C[NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)C1(F)F ZINC000894326252 654465592 /nfs/dbraw/zinc/46/55/92/654465592.db2.gz NWGMBGUQTZPDSW-IINYFYTJSA-N 1 0 376.787 2.321 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000906741948 654466924 /nfs/dbraw/zinc/46/69/24/654466924.db2.gz OMVHDLXTHOWASI-XWEPSHTISA-N 1 0 394.191 2.260 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC000906764593 654469160 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COC(=O)c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923705336 654480004 /nfs/dbraw/zinc/48/00/04/654480004.db2.gz SIBIXDBJUZLSMA-ZDUSSCGKSA-N 1 0 386.539 2.325 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000856411322 654479940 /nfs/dbraw/zinc/47/99/40/654479940.db2.gz UIFJWLGIOTVVDM-ZDUSSCGKSA-N 1 0 399.333 2.206 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1Cl)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923709728 654480062 /nfs/dbraw/zinc/48/00/62/654480062.db2.gz AWMACPRHPPFLNY-VHSXEESVSA-N 1 0 379.707 2.333 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923714662 654480373 /nfs/dbraw/zinc/48/03/73/654480373.db2.gz JGPGQQHKGQHDBQ-VHSXEESVSA-N 1 0 379.707 2.333 20 0 GEADRO COc1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)nc1Br ZINC000856429758 654481210 /nfs/dbraw/zinc/48/12/10/654481210.db2.gz MHJNIUQTSPHCMN-GFCCVEGCSA-N 1 0 386.290 2.036 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)cc2N1 ZINC000923731113 654481459 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CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccn2ncc(Br)c12 ZINC000906940534 654490375 /nfs/dbraw/zinc/49/03/75/654490375.db2.gz ALCSBVRHUASNAV-LBPRGKRZSA-N 1 0 383.290 2.183 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)N[C@H]3CCOc4c(Br)cccc43)C[C@H]2C1 ZINC000894623399 654491278 /nfs/dbraw/zinc/49/12/78/654491278.db2.gz PMRYTJHDCFEKKL-ZOWXZIJZSA-N 1 0 380.286 2.476 20 0 GEADRO Cn1cc(C[NH2+][C@H](CCO)Cc2ccccc2)c(I)n1 ZINC000894662170 654493323 /nfs/dbraw/zinc/49/33/23/654493323.db2.gz GOJIKVRGTZLLBN-CQSZACIVSA-N 1 0 385.249 2.108 20 0 GEADRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894679636 654494212 /nfs/dbraw/zinc/49/42/12/654494212.db2.gz VAZDJNCBBZXJKL-AWEZNQCLSA-N 1 0 385.249 2.465 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)N[C@@H](c3cncc(Br)c3)C3CC3)C[C@H]2C1 ZINC000894689541 654494454 /nfs/dbraw/zinc/49/44/54/654494454.db2.gz IBEUUHMFNFAYQP-IJEWVQPXSA-N 1 0 379.302 2.498 20 0 GEADRO COC(=O)c1cc(C[NH2+]CCn2cc(Br)cn2)n2c1CCCC2 ZINC000856788740 654494450 /nfs/dbraw/zinc/49/44/50/654494450.db2.gz 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ZINC000894779980 654498364 /nfs/dbraw/zinc/49/83/64/654498364.db2.gz UFZHGTWSCWAAMM-CYBMUJFWSA-N 1 0 388.297 2.188 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)c2ccccc2O1 ZINC000907002208 654498360 /nfs/dbraw/zinc/49/83/60/654498360.db2.gz VKJCWVUSADICRV-MFKMUULPSA-N 1 0 381.687 2.463 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000894846936 654502092 /nfs/dbraw/zinc/50/20/92/654502092.db2.gz WSLXUSMMHKAKTL-QMMMGPOBSA-N 1 0 398.227 2.140 20 0 GEADRO O=C1CN(c2cc[nH+]cc2CO)CCN1Cc1ccc(Br)cc1 ZINC000894859491 654502619 /nfs/dbraw/zinc/50/26/19/654502619.db2.gz UNIXKBVLMDZSPH-UHFFFAOYSA-N 1 0 376.254 2.185 20 0 GEADRO COC(=O)[C@@H]1[C@H](C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)C1(F)F ZINC000894866726 654503000 /nfs/dbraw/zinc/50/30/00/654503000.db2.gz ZICJNYGXFKYOQT-STQMWFEESA-N 1 0 381.828 2.148 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1-c1noc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000924140214 654502982 /nfs/dbraw/zinc/50/29/82/654502982.db2.gz YQAGCBNINNOTDX-SKDRFNHKSA-N 1 0 381.230 2.444 20 0 GEADRO CO[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000907066570 654506419 /nfs/dbraw/zinc/50/64/19/654506419.db2.gz CCOZJVWRFMBZNN-RISCZKNCSA-N 1 0 391.331 2.161 20 0 GEADRO CSC1(CNC(=O)NCc2cc(C(F)(F)F)n(C)n2)CC[NH+](C)CC1 ZINC000894951326 654507580 /nfs/dbraw/zinc/50/75/80/654507580.db2.gz MDYJRWVATXNMKA-UHFFFAOYSA-N 1 0 379.452 2.066 20 0 GEADRO C[N@H+]1CC=C(CNS(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC1 ZINC000907098251 654509699 /nfs/dbraw/zinc/50/96/99/654509699.db2.gz XZVSNKCREYLROR-UHFFFAOYSA-N 1 0 384.299 2.471 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907127210 654512278 /nfs/dbraw/zinc/51/22/78/654512278.db2.gz WTUYEHSMLNHQEZ-GFCCVEGCSA-N 1 0 386.309 2.129 20 0 GEADRO Cc1cc(OCC(=O)N2CCC([N@H+](C)CCCO)CC2)ccc1Br ZINC000907144438 654514329 /nfs/dbraw/zinc/51/43/29/654514329.db2.gz NRSGSLKBVJGJMY-UHFFFAOYSA-N 1 0 399.329 2.442 20 0 GEADRO Cn1cc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c(Br)n1 ZINC000924555999 654517482 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GCCXSCJGXBBVLU-OAHLLOKOSA-N 1 0 375.416 2.112 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000911601984 654727419 /nfs/dbraw/zinc/72/74/19/654727419.db2.gz RXCCBYHLPFOIRK-QGZVFWFLSA-N 1 0 386.323 2.208 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000911633926 654728265 /nfs/dbraw/zinc/72/82/65/654728265.db2.gz JTWGUZRRMMBZSK-RISCZKNCSA-N 1 0 380.286 2.333 20 0 GEADRO Nc1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1Br ZINC000911735043 654731045 /nfs/dbraw/zinc/73/10/45/654731045.db2.gz HGDVIYVWFIBNPN-UHFFFAOYSA-N 1 0 376.258 2.088 20 0 GEADRO Cc1c(C(=O)NCCC[NH2+]C(C)C)nnn1-c1ccccc1Br ZINC000911763050 654731429 /nfs/dbraw/zinc/73/14/29/654731429.db2.gz GDLOFVWLSBTCAB-UHFFFAOYSA-N 1 0 380.290 2.456 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)C[C@]1(O)CCOC1)c1cc(F)c(Br)cc1F ZINC000931170542 654731605 /nfs/dbraw/zinc/73/16/05/654731605.db2.gz AOBNCHDKLUMLSB-AMJWSMQMSA-N 1 0 380.229 2.280 20 0 GEADRO CCCN(C(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[C@@H]1CC[NH2+]C1 ZINC000911768882 654731749 /nfs/dbraw/zinc/73/17/49/654731749.db2.gz SFUJPMRKGZBXPD-DGCLKSJQSA-N 1 0 380.286 2.475 20 0 GEADRO Cc1c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)nnn1-c1ccccc1Br ZINC000911796689 654732129 /nfs/dbraw/zinc/73/21/29/654732129.db2.gz PHWSKJXKYIHQOS-QWRGUYRKSA-N 1 0 378.274 2.161 20 0 GEADRO Cc1cc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cnc1Br ZINC000931216111 654734078 /nfs/dbraw/zinc/73/40/78/654734078.db2.gz DIQXBSRPMJWKAY-UHFFFAOYSA-N 1 0 395.345 2.441 20 0 GEADRO CC[C@H](NC(=O)CN1CCCC[C@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000931226797 654734693 /nfs/dbraw/zinc/73/46/93/654734693.db2.gz XQBWSDOPTXUWSU-HOTGVXAUSA-N 1 0 387.933 2.050 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000911875777 654734829 /nfs/dbraw/zinc/73/48/29/654734829.db2.gz SZHVBQANMAXMJX-UHFFFAOYSA-N 1 0 381.274 2.067 20 0 GEADRO C[C@@H]1Cc2ccccc2N1C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911891156 654735529 /nfs/dbraw/zinc/73/55/29/654735529.db2.gz FFMBWUJINSIWPV-LLVKDONJSA-N 1 0 376.254 2.161 20 0 GEADRO Cc1cc(I)ccc1NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000911918593 654735972 /nfs/dbraw/zinc/73/59/72/654735972.db2.gz BQWYNJLLJVZHMX-CYBMUJFWSA-N 1 0 386.233 2.307 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)CCc2cc(Br)ccc2F)CC1 ZINC000911940352 654736921 /nfs/dbraw/zinc/73/69/21/654736921.db2.gz LXURFZMVMJWUMN-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000911941354 654736970 /nfs/dbraw/zinc/73/69/70/654736970.db2.gz NYXPFQXJXLPDDR-INIZCTEOSA-N 1 0 375.296 2.332 20 0 GEADRO Cc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)nc1Br ZINC000931323240 654738439 /nfs/dbraw/zinc/73/84/39/654738439.db2.gz GVDNSGNJVKFLOI-STQMWFEESA-N 1 0 383.290 2.215 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)Nc2cnn(CC[NH+](C)C)c2)n1 ZINC000931347415 654739078 /nfs/dbraw/zinc/73/90/78/654739078.db2.gz SIACEXBEPKUGRS-UHFFFAOYSA-N 1 0 381.278 2.373 20 0 GEADRO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H]([NH3+])CCSC ZINC000912012906 654739850 /nfs/dbraw/zinc/73/98/50/654739850.db2.gz JBRJLXRVKAUYTJ-LLVKDONJSA-N 1 0 377.432 2.361 20 0 GEADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C12CCC(CC1)[NH2+]2 ZINC000912014747 654739901 /nfs/dbraw/zinc/73/99/01/654739901.db2.gz OCLHNLCBZSBWCK-UHFFFAOYSA-N 1 0 383.901 2.348 20 0 GEADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[NH2+]CCN1C ZINC000912020659 654739975 /nfs/dbraw/zinc/73/99/75/654739975.db2.gz DRWFYTNGIDRLJR-OAHLLOKOSA-N 1 0 387.311 2.074 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1Br ZINC000931406095 654741301 /nfs/dbraw/zinc/74/13/01/654741301.db2.gz MZEKQABPHWKVQP-APPDUMDISA-N 1 0 395.301 2.224 20 0 GEADRO CC1(C)CN(c2ccc(-c3nnc(Br)o3)cc2)CC[N@@H+]1CCO ZINC000912079093 654742330 /nfs/dbraw/zinc/74/23/30/654742330.db2.gz HXNXSEOWPACMBS-UHFFFAOYSA-N 1 0 381.274 2.392 20 0 GEADRO Cc1nc(-c2ccc(CCNC(=O)[C@]34C[NH2+]C[C@H]3CCOC4)s2)cs1 ZINC000912154868 654744183 /nfs/dbraw/zinc/74/41/83/654744183.db2.gz GBVMTYOFNBMVMU-ACJLOTCBSA-N 1 0 377.535 2.465 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3nccc(S(C)(=O)=O)n3)C2)s1 ZINC000912232022 654747009 /nfs/dbraw/zinc/74/70/09/654747009.db2.gz AARSVOIDPMOSBP-CQSZACIVSA-N 1 0 380.539 2.208 20 0 GEADRO COC(=O)c1cc(NC(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)cn1C ZINC000912230389 654747028 /nfs/dbraw/zinc/74/70/28/654747028.db2.gz SDBQTVLCCGXZRS-ZDUSSCGKSA-N 1 0 394.269 2.473 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC000912289109 654748991 /nfs/dbraw/zinc/74/89/91/654748991.db2.gz KAJMLSKFELDAEY-IVMMDQJWSA-N 1 0 382.291 2.133 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)CCC1 ZINC000931609336 654749283 /nfs/dbraw/zinc/74/92/83/654749283.db2.gz CWBGSJJDSFFOMY-TZMCWYRMSA-N 1 0 386.480 2.262 20 0 GEADRO CCOc1ccc(Br)c(C(=O)NCC[N@H+](C)CCOC)c1F ZINC000931627912 654749516 /nfs/dbraw/zinc/74/95/16/654749516.db2.gz UBQDQHIVTAQZMJ-UHFFFAOYSA-N 1 0 377.254 2.295 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)N[C@@]2(C)C[NH+]3CCC2CC3)C(F)(F)F)n1 ZINC000912380463 654751671 /nfs/dbraw/zinc/75/16/71/654751671.db2.gz SUPHOYCYXQZKPR-GJZGRUSLSA-N 1 0 377.432 2.192 20 0 GEADRO CO[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000912387342 654751921 /nfs/dbraw/zinc/75/19/21/654751921.db2.gz OPHAIRXFUWIXEF-CQSZACIVSA-N 1 0 392.363 2.198 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000931663802 654751964 /nfs/dbraw/zinc/75/19/64/654751964.db2.gz OCEZFZXMXODWRY-TZMCWYRMSA-N 1 0 380.286 2.428 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000931663799 654751980 /nfs/dbraw/zinc/75/19/80/654751980.db2.gz OCEZFZXMXODWRY-JSGCOSHPSA-N 1 0 380.286 2.428 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000912394273 654752232 /nfs/dbraw/zinc/75/22/32/654752232.db2.gz LQMFHCKSHWUHAP-XLNGHYISSA-N 1 0 382.913 2.026 20 0 GEADRO COC1(OC)CCOC[C@@H]1[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000931675522 654752920 /nfs/dbraw/zinc/75/29/20/654752920.db2.gz PIOVZBQSHIQGJC-AWEZNQCLSA-N 1 0 378.238 2.335 20 0 GEADRO Cc1cc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cnc1Br ZINC000931685249 654753302 /nfs/dbraw/zinc/75/33/02/654753302.db2.gz FBILHNFDYQKABC-UHFFFAOYSA-N 1 0 395.345 2.458 20 0 GEADRO CCCOc1ccc(Cl)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC000912449550 654754383 /nfs/dbraw/zinc/75/43/83/654754383.db2.gz PZMXTOJLNAJLTO-AXAPSJFSSA-N 1 0 386.901 2.090 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc(Br)cc1 ZINC000912453298 654754388 /nfs/dbraw/zinc/75/43/88/654754388.db2.gz CFLJBXFDUBPMNK-HOSILWTGSA-N 1 0 381.270 2.025 20 0 GEADRO [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1=O ZINC000912464185 654755429 /nfs/dbraw/zinc/75/54/29/654755429.db2.gz QBBNEEWGOBFMDU-CVEARBPZSA-N 1 0 394.313 2.310 20 0 GEADRO [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1=O ZINC000912464189 654755517 /nfs/dbraw/zinc/75/55/17/654755517.db2.gz QBBNEEWGOBFMDU-HOTGVXAUSA-N 1 0 394.313 2.310 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000912464632 654755669 /nfs/dbraw/zinc/75/56/69/654755669.db2.gz KMVXUFIIZDDTKK-MRXNPFEDSA-N 1 0 398.370 2.347 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000931761848 654756205 /nfs/dbraw/zinc/75/62/05/654756205.db2.gz XKJYIOFENOABCH-UHFFFAOYSA-N 1 0 381.274 2.351 20 0 GEADRO Cc1cc(NC(=O)C[C@]2(O)CCC[NH2+]C2)n(-c2cccc(Br)c2)n1 ZINC000912488183 654756656 /nfs/dbraw/zinc/75/66/56/654756656.db2.gz PYFWEBFRUAADHA-QGZVFWFLSA-N 1 0 393.285 2.386 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000912510632 654757677 /nfs/dbraw/zinc/75/76/77/654757677.db2.gz KIQDHAYFIMBAIO-IRXDYDNUSA-N 1 0 395.297 2.070 20 0 GEADRO Cc1cc(OCC(=O)N2CCC([NH+]3CCOCC3)CC2)ccc1Br ZINC000912538319 654759078 /nfs/dbraw/zinc/75/90/78/654759078.db2.gz RBIQRLIROFTUMI-UHFFFAOYSA-N 1 0 397.313 2.460 20 0 GEADRO COc1cc(Br)c(Cl)cc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912598178 654760379 /nfs/dbraw/zinc/76/03/79/654760379.db2.gz DDPWBDIJMLRPQZ-UHFFFAOYSA-N 1 0 379.682 2.107 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000912603810 654760653 /nfs/dbraw/zinc/76/06/53/654760653.db2.gz DXBPMXAAZRHPGA-UHFFFAOYSA-N 1 0 381.929 2.312 20 0 GEADRO O[C@H](C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1)c1cc(Br)no1 ZINC000931909130 654761333 /nfs/dbraw/zinc/76/13/33/654761333.db2.gz REEJMTKHFUZOFX-CPUCHLNUSA-N 1 0 379.254 2.371 20 0 GEADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000912650426 654762103 /nfs/dbraw/zinc/76/21/03/654762103.db2.gz MBXBDVKVCQQTTJ-QWHCGFSZSA-N 1 0 387.933 2.473 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932007745 654763904 /nfs/dbraw/zinc/76/39/04/654763904.db2.gz FWNNIRBQCHUKHR-UKRRQHHQSA-N 1 0 397.313 2.491 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932001908 654763946 /nfs/dbraw/zinc/76/39/46/654763946.db2.gz RWNOEUMQIGHFCK-SMDDNHRTSA-N 1 0 390.249 2.023 20 0 GEADRO Cc1cc(OCC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000912715360 654765349 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GEADRO O=C(c1cnnn1-c1ccccc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000912884463 654772481 /nfs/dbraw/zinc/77/24/81/654772481.db2.gz IURKPGPEWIUNSR-UHFFFAOYSA-N 1 0 390.285 2.340 20 0 GEADRO O=C(c1cnc2ccc(Br)cc2c1O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912916140 654774053 /nfs/dbraw/zinc/77/40/53/654774053.db2.gz UMRABGFCVACZLI-LBPRGKRZSA-N 1 0 376.254 2.211 20 0 GEADRO Cc1cc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cnc1Br ZINC000932442518 654777855 /nfs/dbraw/zinc/77/78/55/654777855.db2.gz HUTQBDPXTOWEQI-UHFFFAOYSA-N 1 0 395.345 2.252 20 0 GEADRO O=C(N[C@@]1(CO)CCc2cc(Br)ccc2C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000913002135 654778193 /nfs/dbraw/zinc/77/81/93/654778193.db2.gz DCIBTTIXXVQOPE-OALUTQOASA-N 1 0 393.325 2.271 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC(Cc2cccc(Br)c2)C1 ZINC000913093034 654782322 /nfs/dbraw/zinc/78/23/22/654782322.db2.gz IAUPUTVMKWGSEJ-QGZVFWFLSA-N 1 0 379.298 2.171 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N2CC(Cc3cccc(Br)c3)C2)CC1 ZINC000913095268 654782711 /nfs/dbraw/zinc/78/27/11/654782711.db2.gz FUWDHIIAYLQTJE-UHFFFAOYSA-N 1 0 394.357 2.478 20 0 GEADRO COC(=O)c1cnc([C@@H]2CC[N@H+](C[C@H](O)COCc3cccs3)C2)s1 ZINC000932660553 654784738 /nfs/dbraw/zinc/78/47/38/654784738.db2.gz QINCPILSMFUFKZ-OLZOCXBDSA-N 1 0 382.507 2.358 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC000932704829 654785977 /nfs/dbraw/zinc/78/59/77/654785977.db2.gz ZTNQKGBAGXHXPP-GFCCVEGCSA-N 1 0 378.464 2.394 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](CCn2cnc(Br)n2)C1 ZINC000932698905 654786100 /nfs/dbraw/zinc/78/61/00/654786100.db2.gz FVAHDZZBKSUUCS-LBPRGKRZSA-N 1 0 388.310 2.277 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2nc(C)ccc2Br)CC1 ZINC000932716099 654786400 /nfs/dbraw/zinc/78/64/00/654786400.db2.gz XSHFJFHNJDJERB-CYBMUJFWSA-N 1 0 383.334 2.156 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2nc(C)ccc2Br)CC1 ZINC000932716100 654786429 /nfs/dbraw/zinc/78/64/29/654786429.db2.gz XSHFJFHNJDJERB-ZDUSSCGKSA-N 1 0 383.334 2.156 20 0 GEADRO Cc1ncc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(C)c1Br 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381.318 2.005 20 0 GEADRO C[C@@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000932917711 654794485 /nfs/dbraw/zinc/79/44/85/654794485.db2.gz CRBSHIUPPWMNGK-INIZCTEOSA-N 1 0 378.889 2.312 20 0 GEADRO C[C@H](NC(=O)Nc1cnn(C)c1I)C(C)(C)C[NH+](C)C ZINC000933736629 654823439 /nfs/dbraw/zinc/82/34/39/654823439.db2.gz ZEXSNPSSTFLSSR-VIFPVBQESA-N 1 0 393.273 2.123 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000913652819 654802900 /nfs/dbraw/zinc/80/29/00/654802900.db2.gz IUUZBMLETSCUDK-HPBDAGMYSA-N 1 0 379.298 2.050 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)cnc1C1CC1 ZINC000933133836 654803316 /nfs/dbraw/zinc/80/33/16/654803316.db2.gz IVOYODFBXPWZRO-UHFFFAOYSA-N 1 0 382.302 2.298 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)[C@H](C)C1 ZINC000933174515 654803878 /nfs/dbraw/zinc/80/38/78/654803878.db2.gz CPQNWOGDELQYEZ-NFAWXSAZSA-N 1 0 386.286 2.462 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CC[NH+](CCCCCO)CC1 ZINC000913693077 654804689 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C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCCC(C)(F)F)CC1 ZINC000914024465 654822166 /nfs/dbraw/zinc/82/21/66/654822166.db2.gz HLNGJKLTGAHOKN-HOTGVXAUSA-N 1 0 381.533 2.242 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1occc1Br ZINC000914067024 654824451 /nfs/dbraw/zinc/82/44/51/654824451.db2.gz JSLWRNCYYNZFFM-UHFFFAOYSA-N 1 0 383.308 2.021 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c1F ZINC000914080947 654825325 /nfs/dbraw/zinc/82/53/25/654825325.db2.gz LLLAWRBHYVJHPT-SNVBAGLBSA-N 1 0 395.294 2.217 20 0 GEADRO CCOc1ccc(Br)c(C(=O)NCC2(O)CC[NH+](C)CC2)c1F ZINC000933838099 654828234 /nfs/dbraw/zinc/82/82/34/654828234.db2.gz LXUGAXDNWXWXSB-UHFFFAOYSA-N 1 0 389.265 2.173 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)Cc1ccsc1Br ZINC000914244300 654838436 /nfs/dbraw/zinc/83/84/36/654838436.db2.gz GBGYMIBSSWZOAN-SKDRFNHKSA-N 1 0 379.345 2.413 20 0 GEADRO CCCCC1([NH2+]CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000934202318 654838588 /nfs/dbraw/zinc/83/85/88/654838588.db2.gz IMBQZYRUYZTAMN-UHFFFAOYSA-N 1 0 388.555 2.023 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934257378 654840475 /nfs/dbraw/zinc/84/04/75/654840475.db2.gz IFDDEAIVHUTNTH-COXVUDFISA-N 1 0 396.329 2.307 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934261225 654840791 /nfs/dbraw/zinc/84/07/91/654840791.db2.gz PYSMFLSGTVBGQO-KBRIMQKVSA-N 1 0 396.329 2.307 20 0 GEADRO Cc1cc(NC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000934263462 654841309 /nfs/dbraw/zinc/84/13/09/654841309.db2.gz POAYSIXCCASXPZ-DLBZAZTESA-N 1 0 396.329 2.227 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934267609 654841906 /nfs/dbraw/zinc/84/19/06/654841906.db2.gz CNNBEPAFIRFURR-IKGGRYGDSA-N 1 0 397.313 2.194 20 0 GEADRO O=C(Nc1c(Br)cnn1C1CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934364464 654845973 /nfs/dbraw/zinc/84/59/73/654845973.db2.gz HZZWMQVGMLAVHD-KBPBESRZSA-N 1 0 398.305 2.043 20 0 GEADRO O=C(Nc1c(Br)cnn1C1CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934367060 654846162 /nfs/dbraw/zinc/84/61/62/654846162.db2.gz BPUBONGRJIALGD-ZDUSSCGKSA-N 1 0 398.305 2.355 20 0 GEADRO O=C(Nc1c(Br)cnn1C1CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000934377743 654848425 /nfs/dbraw/zinc/84/84/25/654848425.db2.gz WMZDCCJYTNICOV-ZIAGYGMSSA-N 1 0 398.305 2.043 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c1F ZINC000914387439 654849909 /nfs/dbraw/zinc/84/99/09/654849909.db2.gz ZPKVSFSNMFZUAF-UHFFFAOYSA-N 1 0 395.294 2.312 20 0 GEADRO C[C@](CO)([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000934493173 654850692 /nfs/dbraw/zinc/85/06/92/654850692.db2.gz AFBQDNKVQNFEHG-SWLSCSKDSA-N 1 0 376.316 2.071 20 0 GEADRO C[C@@](CO)([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000934495576 654850970 /nfs/dbraw/zinc/85/09/70/654850970.db2.gz DOLPKBOMUHPJMP-DOMZBBRYSA-N 1 0 376.316 2.071 20 0 GEADRO C[C@@](CO)([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000934497620 654851242 /nfs/dbraw/zinc/85/12/42/654851242.db2.gz WVFJYVXBTFXHQW-HNNXBMFYSA-N 1 0 376.316 2.071 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1cc(Cl)cc(Br)c1 ZINC000914421918 654852910 /nfs/dbraw/zinc/85/29/10/654852910.db2.gz HXEJUWMHTLIWEP-HIFRSBDPSA-N 1 0 375.694 2.216 20 0 GEADRO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)CSC)c1 ZINC000934673696 654855365 /nfs/dbraw/zinc/85/53/65/654855365.db2.gz DZNKBSMKVPOWJI-UHFFFAOYSA-N 1 0 387.571 2.387 20 0 GEADRO CSCC(C)(C)[NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000934677174 654855409 /nfs/dbraw/zinc/85/54/09/654855409.db2.gz FHHWXNNBIPJGRF-HNNXBMFYSA-N 1 0 376.588 2.066 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2c(Br)cnn2c1 ZINC000934723317 654856048 /nfs/dbraw/zinc/85/60/48/654856048.db2.gz BMIINCKCADCSOE-CQSZACIVSA-N 1 0 393.285 2.080 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1nc(Br)c2ccccn21 ZINC000934723592 654856230 /nfs/dbraw/zinc/85/62/30/654856230.db2.gz OXPVTZOOLXCDSQ-ZDUSSCGKSA-N 1 0 393.285 2.080 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000914713540 654856767 /nfs/dbraw/zinc/85/67/67/654856767.db2.gz NJNRWQVGJAQETG-LBPRGKRZSA-N 1 0 378.274 2.244 20 0 GEADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](CCCNC(=O)OC(C)(C)C)CC1 ZINC000934752400 654857903 /nfs/dbraw/zinc/85/79/03/654857903.db2.gz PEOPDBPSINCTJD-RUZDIDTESA-N 1 0 376.567 2.188 20 0 GEADRO OC[C@@H]([NH2+]CCC1OCCCO1)c1ccccc1I ZINC000934829688 654862892 /nfs/dbraw/zinc/86/28/92/654862892.db2.gz RDVBWNNSDLDAGT-CYBMUJFWSA-N 1 0 377.222 2.067 20 0 GEADRO C[C@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@@H]1CN(C)CCO1 ZINC000934966799 654868373 /nfs/dbraw/zinc/86/83/73/654868373.db2.gz SJSGFRBSOCCMQT-HZMBPMFUSA-N 1 0 384.267 2.023 20 0 GEADRO CN(C)C[C@@H](NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1ccc(Cl)cc1 ZINC000915342405 654868942 /nfs/dbraw/zinc/86/89/42/654868942.db2.gz TTYFYCANZIKEGU-MSOLQXFVSA-N 1 0 385.961 2.348 20 0 GEADRO COc1cc(Br)cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC000935084051 654874894 /nfs/dbraw/zinc/87/48/94/654874894.db2.gz BNVFRRBPVKUVRO-UHFFFAOYSA-N 1 0 394.269 2.433 20 0 GEADRO C[C@@H]1CN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)[C@@H](C)C[N@@H+]1C ZINC000935189181 654880881 /nfs/dbraw/zinc/88/08/81/654880881.db2.gz HODAKRNPHQCPAM-NTZNESFSSA-N 1 0 380.286 2.426 20 0 GEADRO COc1ccc(Cl)cc1C(F)(F)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000935269988 654884637 /nfs/dbraw/zinc/88/46/37/654884637.db2.gz MPUSZPZJBCPAHZ-UHFFFAOYSA-N 1 0 376.831 2.403 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000935316583 654886925 /nfs/dbraw/zinc/88/69/25/654886925.db2.gz CSJZBNMSLGJZME-MRXNPFEDSA-N 1 0 385.302 2.100 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)n1 ZINC000935444739 654893726 /nfs/dbraw/zinc/89/37/26/654893726.db2.gz AQBCGTDQEAZABJ-CYBMUJFWSA-N 1 0 398.349 2.118 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1C(=O)Nc3c1cccc3Br)C2 ZINC000935666958 654909618 /nfs/dbraw/zinc/90/96/18/654909618.db2.gz QGEITLATUFYGIM-GFCCVEGCSA-N 1 0 378.270 2.039 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccccc1[S@@](=O)C(F)(F)F ZINC000935779530 654916043 /nfs/dbraw/zinc/91/60/43/654916043.db2.gz DICWKHZEBFNEJL-UOXLDJKESA-N 1 0 380.432 2.137 20 0 GEADRO C[NH+](C)CC1(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CCC1 ZINC000935798655 654917743 /nfs/dbraw/zinc/91/77/43/654917743.db2.gz BKROYMOLNGZHMN-CYBMUJFWSA-N 1 0 380.286 2.475 20 0 GEADRO O=C(c1cc(F)cc(Br)c1F)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935987757 654932178 /nfs/dbraw/zinc/93/21/78/654932178.db2.gz XWCLIDNWLUXNAC-GHMZBOCLSA-N 1 0 375.213 2.008 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000956780493 654940136 /nfs/dbraw/zinc/94/01/36/654940136.db2.gz IOHRMLCFRASBJB-LBPRGKRZSA-N 1 0 394.313 2.310 20 0 GEADRO O=C1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC2(CC[NH2+]CC2)N1 ZINC001164394181 718809890 /nfs/dbraw/zinc/80/98/90/718809890.db2.gz ZOJZHDAXYJXDMQ-UHFFFAOYSA-N 1 0 398.763 2.357 20 0 GEADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c2c1C ZINC001164390365 718824421 /nfs/dbraw/zinc/82/44/21/718824421.db2.gz OABCYQFMXGGZCY-HZPDHXFCSA-N 1 0 387.553 2.471 20 0 GEADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164389871 718825087 /nfs/dbraw/zinc/82/50/87/718825087.db2.gz KEQHLZWDWHXMDG-YPMHNXCESA-N 1 0 381.814 2.304 20 0 GEADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164402143 718852075 /nfs/dbraw/zinc/85/20/75/718852075.db2.gz FEIZOMDZQXEBQX-RFAUZJTJSA-N 1 0 389.233 2.500 20 0 GEADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164405159 718853587 /nfs/dbraw/zinc/85/35/87/718853587.db2.gz LHGNLXNXBOTJSC-RHSMWYFYSA-N 1 0 380.826 2.360 20 0 GEADRO CCOC(=O)c1ccc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)c(Cl)n1 ZINC001164410133 718863801 /nfs/dbraw/zinc/86/38/01/718863801.db2.gz XBJOWAWZRHFEQS-SMDDNHRTSA-N 1 0 389.830 2.271 20 0 GEADRO FC(F)(N1CCCO[C@@]2(C[NH2+]CCOC2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164424988 718919025 /nfs/dbraw/zinc/91/90/25/718919025.db2.gz PRQPZHDOQYFWFO-INIZCTEOSA-N 1 0 387.858 2.440 20 0 GEADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164422807 718919535 /nfs/dbraw/zinc/91/95/35/718919535.db2.gz BHOLPNDKFGHBFI-KRWDZBQOSA-N 1 0 387.858 2.354 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C(=O)OC)cc3C)CC2)CC1 ZINC001164613743 719024484 /nfs/dbraw/zinc/02/44/84/719024484.db2.gz BNOAAXOVGFLOEV-UHFFFAOYSA-N 1 0 389.496 2.421 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cccc(CC(=O)OC)n3)CC2)CC1 ZINC001164614170 719026049 /nfs/dbraw/zinc/02/60/49/719026049.db2.gz OMARZQMAUHFVQS-UHFFFAOYSA-N 1 0 389.496 2.041 20 0 GEADRO c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2ccc(CN4CCOCC4)cn2)C3)cc1 ZINC001164619722 719043902 /nfs/dbraw/zinc/04/39/02/719043902.db2.gz DQVWDFQZGOLARJ-GMAHTHKFSA-N 1 0 378.520 2.497 20 0 GEADRO Cc1cc2c(c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n1)C(=O)NC2=O ZINC001164624272 719095117 /nfs/dbraw/zinc/09/51/17/719095117.db2.gz DXEVSBZGUZQQOG-WMZOPIPTSA-N 1 0 376.460 2.374 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164623967 719134363 /nfs/dbraw/zinc/13/43/63/719134363.db2.gz SSGNIZHETSYRHF-LLVKDONJSA-N 1 0 391.205 2.433 20 0 GEADRO CC(C)n1nc(CN(C)C)c2c1CN(c1nccc(C3CC[NH2+]CC3)n1)CC2 ZINC001164652882 719313529 /nfs/dbraw/zinc/31/35/29/719313529.db2.gz SHQXDCFXKFEXDL-UHFFFAOYSA-N 1 0 383.544 2.345 20 0 GEADRO COc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC001164669056 719482965 /nfs/dbraw/zinc/48/29/65/719482965.db2.gz SKBMOAIFSCBAOH-HZPDHXFCSA-N 1 0 376.844 2.450 20 0 GEADRO COC(=O)c1nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)ccc1Cl ZINC001164684757 719621164 /nfs/dbraw/zinc/62/11/64/719621164.db2.gz XIRHXPQFXBHZRC-UHFFFAOYSA-N 1 0 377.876 2.193 20 0 GEADRO COc1cc2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c(OC)c1 ZINC001164683312 719625082 /nfs/dbraw/zinc/62/50/82/719625082.db2.gz RYIPTWRSCIWXNX-UHFFFAOYSA-N 1 0 396.495 2.319 20 0 GEADRO CSc1nc2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2s1 ZINC001164684898 719631566 /nfs/dbraw/zinc/63/15/66/719631566.db2.gz YPDWBXBYJXUIRP-UHFFFAOYSA-N 1 0 389.554 2.480 20 0 GEADRO CC(C)N(C)Cc1nn(-c2ncc(C(=O)N(C)C)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680134 719640351 /nfs/dbraw/zinc/64/03/51/719640351.db2.gz PKAMGJXBBDZIFN-UHFFFAOYSA-N 1 0 390.919 2.108 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164685340 719703378 /nfs/dbraw/zinc/70/33/78/719703378.db2.gz VKVXJAKODYRFAH-UHFFFAOYSA-N 1 0 395.960 2.100 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccncc3)nc(C)c1C)CC2 ZINC001164690163 719747822 /nfs/dbraw/zinc/74/78/22/719747822.db2.gz USRLIKXOPBDYDQ-UHFFFAOYSA-N 1 0 394.523 2.336 20 0 GEADRO CCCSc1ncnc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)c1OC ZINC001164689875 719756404 /nfs/dbraw/zinc/75/64/04/719756404.db2.gz NCZZRIWJVAIEBI-UHFFFAOYSA-N 1 0 393.557 2.168 20 0 GEADRO CNC(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699277 719895288 /nfs/dbraw/zinc/89/52/88/719895288.db2.gz YPSPQWZAYKRKNC-UHFFFAOYSA-N 1 0 386.521 2.374 20 0 GEADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cc5c(nn4)CCOC5)CC3)C2)c1 ZINC001164706817 719902696 /nfs/dbraw/zinc/90/26/96/719902696.db2.gz KRHHKYKKZATNGX-UHFFFAOYSA-N 1 0 386.521 2.482 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)c(C(=O)OC)cn1)C2 ZINC001164806321 720081070 /nfs/dbraw/zinc/08/10/70/720081070.db2.gz BMDGQZSMXHKZTQ-IIBYNOLFSA-N 1 0 389.496 2.062 20 0 GEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(N)=O)ccn1)CC2 ZINC001164710341 720096289 /nfs/dbraw/zinc/09/62/89/720096289.db2.gz IWHIBXUSXFJSKP-IBGZPJMESA-N 1 0 395.507 2.083 20 0 GEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(OC)nn1)CC2 ZINC001164711000 720097547 /nfs/dbraw/zinc/09/75/47/720097547.db2.gz MRMZVSGBFJCGOG-SFHVURJKSA-N 1 0 383.496 2.388 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1ncn3C)C2 ZINC001164811353 720100773 /nfs/dbraw/zinc/10/07/73/720100773.db2.gz NXAJZCDHZYVAME-KUHUBIRLSA-N 1 0 390.919 2.201 20 0 GEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1N(C)C)CC2 ZINC001164719451 720112560 /nfs/dbraw/zinc/11/25/60/720112560.db2.gz WYWNZINNUYOZJO-LJQANCHMSA-N 1 0 396.539 2.445 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(N(C)C)n1)C2 ZINC001164811619 720122810 /nfs/dbraw/zinc/12/28/10/720122810.db2.gz MZLAUJHUTKUHJN-HNAYVOBHSA-N 1 0 379.936 2.381 20 0 GEADRO Cn1nnc2c1CCN(c1nccc3ccoc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712948 720171226 /nfs/dbraw/zinc/17/12/26/720171226.db2.gz IQNYPOMHWORNNN-QGZVFWFLSA-N 1 0 382.468 2.173 20 0 GEADRO CCCNC(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164817882 720171294 /nfs/dbraw/zinc/17/12/94/720171294.db2.gz QQDXRSVUYMKQKQ-SIKLNZKXSA-N 1 0 386.540 2.406 20 0 GEADRO CCCNC(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164817884 720171687 /nfs/dbraw/zinc/17/16/87/720171687.db2.gz QQDXRSVUYMKQKQ-UGKGYDQZSA-N 1 0 386.540 2.406 20 0 GEADRO Cn1nnc2c1CCN(c1ccc3c(n1)CCCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717650 720177090 /nfs/dbraw/zinc/17/70/90/720177090.db2.gz LDDAWXSORKTPGK-FQEVSTJZSA-N 1 0 396.539 2.305 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(C(=O)OC)n1)C2 ZINC001164819530 720183397 /nfs/dbraw/zinc/18/33/97/720183397.db2.gz XSANTYBYYAVXTB-AUUYWEPGSA-N 1 0 394.903 2.101 20 0 GEADRO Cn1nnc2c1CCN(c1nccc3scnc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164717667 720185025 /nfs/dbraw/zinc/18/50/25/720185025.db2.gz LFRRLLYRKPIJFQ-HNNXBMFYSA-N 1 0 399.524 2.036 20 0 GEADRO Cc1cc2c(ccnc2N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)o1 ZINC001164717165 720199590 /nfs/dbraw/zinc/19/95/90/720199590.db2.gz TXCSLSASYFGTAB-SFHVURJKSA-N 1 0 396.495 2.481 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3c(nn1)CC[C@@H](C)C3)CCC2 ZINC001164816710 720244072 /nfs/dbraw/zinc/24/40/72/720244072.db2.gz LQXGJHHSNNGRST-MRXNPFEDSA-N 1 0 396.539 2.409 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cnc(F)cc32)CC1 ZINC001164820945 720306651 /nfs/dbraw/zinc/30/66/51/720306651.db2.gz IHOOMDAFHAHWDT-MSOLQXFVSA-N 1 0 398.486 2.075 20 0 GEADRO Cc1cnc2c(ccnc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826653 720346985 /nfs/dbraw/zinc/34/69/85/720346985.db2.gz KPEOPWYEQIUYME-RTBURBONSA-N 1 0 394.523 2.245 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc3c(n2)CCCC3)CC1 ZINC001164824316 720348727 /nfs/dbraw/zinc/34/87/27/720348727.db2.gz HXADJUFRSXKNHA-WOJBJXKFSA-N 1 0 383.540 2.267 20 0 GEADRO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001164825036 720421854 /nfs/dbraw/zinc/42/18/54/720421854.db2.gz NHJNPSNEAMMGRG-AQNXPRMDSA-N 1 0 386.540 2.291 20 0 GEADRO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164823595 720424055 /nfs/dbraw/zinc/42/40/55/720424055.db2.gz HTDLSEHIVRJOQM-AABGKKOBSA-N 1 0 386.540 2.291 20 0 GEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc(N)n3)CC[C@@H]21 ZINC001164834648 720503743 /nfs/dbraw/zinc/50/37/43/720503743.db2.gz GYGRHUFPDYLKII-ILXRZTDVSA-N 1 0 375.908 2.287 20 0 GEADRO CCOC(=O)c1cc(Cl)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1 ZINC001164732314 720504940 /nfs/dbraw/zinc/50/49/40/720504940.db2.gz UXDCIHBGLVMPFW-ZDUSSCGKSA-N 1 0 377.876 2.306 20 0 GEADRO 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COc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1I ZINC000154825592 531636182 /nfs/dbraw/zinc/63/61/82/531636182.db2.gz JAPYYFDIGPSYKZ-NSHDSACASA-N 1 0 388.249 2.324 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000042481123 531669856 /nfs/dbraw/zinc/66/98/56/531669856.db2.gz MTIFOYYMZGAMCN-CHWSQXEVSA-N 1 0 384.318 2.414 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000032072831 531648288 /nfs/dbraw/zinc/64/82/88/531648288.db2.gz HCLDVOTVODIBIZ-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc2ncc(I)n2c1 ZINC000155016925 531649082 /nfs/dbraw/zinc/64/90/82/531649082.db2.gz KGFJWJODFFVPLD-QWRGUYRKSA-N 1 0 398.248 2.104 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000155038860 531652147 /nfs/dbraw/zinc/65/21/47/531652147.db2.gz KZNDTPJTDQHZKW-CJNGLKHVSA-N 1 0 396.329 2.368 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000155045665 531652582 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O=C(NCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000047140420 531710803 /nfs/dbraw/zinc/71/08/03/531710803.db2.gz OAESADHNXGCTKT-CQSZACIVSA-N 1 0 394.313 2.404 20 0 GEADRO C[C@@H](CNC(=O)c1c[nH]c2cccc(Br)c12)N1CC[NH+](C)CC1 ZINC000155884074 531704917 /nfs/dbraw/zinc/70/49/17/531704917.db2.gz ZUCPWJBPISXISN-LBPRGKRZSA-N 1 0 379.302 2.296 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1cc(Br)ccc1=O ZINC000046990100 531709093 /nfs/dbraw/zinc/70/90/93/531709093.db2.gz CCZJTMSLOMZHNG-CQSZACIVSA-N 1 0 384.318 2.382 20 0 GEADRO C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000048402581 531729258 /nfs/dbraw/zinc/72/92/58/531729258.db2.gz XFSJJLPZJXEJJE-GFCCVEGCSA-N 1 0 380.286 2.012 20 0 GEADRO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc(S(N)(=O)=O)c1C ZINC000047530541 531716164 /nfs/dbraw/zinc/71/61/64/531716164.db2.gz CDHKJQRUXHQGHT-AWEZNQCLSA-N 1 0 381.523 2.045 20 0 GEADRO CNC(=O)[C@@H]1CCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000049238440 531734826 /nfs/dbraw/zinc/73/48/26/531734826.db2.gz 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CC(C)(C)CC[NH+]1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000056043336 531801694 /nfs/dbraw/zinc/80/16/94/531801694.db2.gz ZIGKGSSKWIQFHF-UHFFFAOYSA-N 1 0 384.318 2.191 20 0 GEADRO Cc1c(C(=O)NCC(C)(C)[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000056129618 531808412 /nfs/dbraw/zinc/80/84/12/531808412.db2.gz XLGBXILTZGNUOY-UHFFFAOYSA-N 1 0 380.290 2.408 20 0 GEADRO O[C@H](C[NH2+]C1CCC2(CC1)OCCO2)COc1ccccc1Br ZINC000161671195 531834584 /nfs/dbraw/zinc/83/45/84/531834584.db2.gz LMVQOCYXIXIFSB-CQSZACIVSA-N 1 0 386.286 2.464 20 0 GEADRO CN(CC(=O)N1CCC([NH+]2CCCC2)CC1)C(=O)c1ccc(Br)o1 ZINC000058909219 531838264 /nfs/dbraw/zinc/83/82/64/531838264.db2.gz JBGLSXRLXCGGKU-UHFFFAOYSA-N 1 0 398.301 2.201 20 0 GEADRO CC(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccccc1I ZINC000162260097 531839730 /nfs/dbraw/zinc/83/97/30/531839730.db2.gz IBYVHRSAUHZTLF-LBPRGKRZSA-N 1 0 376.238 2.226 20 0 GEADRO CN(C)C(=O)CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000162655063 531844929 /nfs/dbraw/zinc/84/49/29/531844929.db2.gz MUWISXNGQHKFHR-UHFFFAOYSA-N 1 0 382.302 2.008 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000060793457 531846376 /nfs/dbraw/zinc/84/63/76/531846376.db2.gz FGMRMXNTWAYDLD-GFCCVEGCSA-N 1 0 382.302 2.168 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NCC(C)(C)[NH+](C)C)c1ccc(Br)cc1 ZINC000060886994 531847761 /nfs/dbraw/zinc/84/77/61/531847761.db2.gz CPJDUHPOMYXHSQ-HNNXBMFYSA-N 1 0 384.318 2.473 20 0 GEADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000163229972 531855673 /nfs/dbraw/zinc/85/56/73/531855673.db2.gz CGUFUZQRLZTEFI-LLVKDONJSA-N 1 0 391.280 2.084 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCn2cc(Br)ccc2=O)C1 ZINC000163353746 531856588 /nfs/dbraw/zinc/85/65/88/531856588.db2.gz YCPFXCQNOOUCNS-OAHLLOKOSA-N 1 0 398.345 2.485 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000163357002 531857699 /nfs/dbraw/zinc/85/76/99/531857699.db2.gz BXCKUXBDXYMACJ-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO CCS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163465418 531859088 /nfs/dbraw/zinc/85/90/88/531859088.db2.gz XTFVHFGYPQLHRS-LLVKDONJSA-N 1 0 377.304 2.191 20 0 GEADRO CN(C)C(=O)C[N@H+](C)CCCOc1cccc(I)c1 ZINC000064138628 531863975 /nfs/dbraw/zinc/86/39/75/531863975.db2.gz HHDITPJCZPHUNV-UHFFFAOYSA-N 1 0 376.238 2.080 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000064764972 531870941 /nfs/dbraw/zinc/87/09/41/531870941.db2.gz GFVHVXSWMWRKGZ-LBPRGKRZSA-N 1 0 384.274 2.461 20 0 GEADRO C[C@@]1(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]C1 ZINC000165377907 531871631 /nfs/dbraw/zinc/87/16/31/531871631.db2.gz HMAGGKYZUSEDEQ-SJKOYZFVSA-N 1 0 395.301 2.021 20 0 GEADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000067208032 531878478 /nfs/dbraw/zinc/87/84/78/531878478.db2.gz DGGZDDYQYSLIDO-HNNXBMFYSA-N 1 0 390.281 2.130 20 0 GEADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000067208030 531879467 /nfs/dbraw/zinc/87/94/67/531879467.db2.gz DGGZDDYQYSLIDO-OAHLLOKOSA-N 1 0 390.281 2.130 20 0 GEADRO Cn1c(=O)cc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)n(C)c1=O ZINC000067712378 531886887 /nfs/dbraw/zinc/88/68/87/531886887.db2.gz DZBBWVZKIDZNBT-UHFFFAOYSA-N 1 0 378.270 2.016 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000069126654 531911719 /nfs/dbraw/zinc/91/17/19/531911719.db2.gz AUQPFGMUROLMLT-QGZVFWFLSA-N 1 0 379.551 2.324 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000171698725 531912339 /nfs/dbraw/zinc/91/23/39/531912339.db2.gz ABWRWVZFCFJTOA-KGLIPLIRSA-N 1 0 383.334 2.445 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171807043 531919129 /nfs/dbraw/zinc/91/91/29/531919129.db2.gz CWHOJHFKVAVKKA-GFCCVEGCSA-N 1 0 381.274 2.166 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000078512049 531920645 /nfs/dbraw/zinc/92/06/45/531920645.db2.gz PGOWXICTRGTLLH-UHFFFAOYSA-N 1 0 382.555 2.437 20 0 GEADRO O=C(CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(Br)cc1 ZINC000171903614 531922945 /nfs/dbraw/zinc/92/29/45/531922945.db2.gz BJXDEEUKCFWPJO-OAHLLOKOSA-N 1 0 395.301 2.267 20 0 GEADRO C[C@H](CSC(C)(C)C)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000090035439 531923438 /nfs/dbraw/zinc/92/34/38/531923438.db2.gz SYWASXWNUINRTQ-CQSZACIVSA-N 1 0 378.604 2.469 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(I)cc1 ZINC000091323959 531924306 /nfs/dbraw/zinc/92/43/06/531924306.db2.gz JNTZXQFUJNQRAS-GWCFXTLKSA-N 1 0 394.278 2.087 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1 ZINC000089628652 531924544 /nfs/dbraw/zinc/92/45/44/531924544.db2.gz NRJHKNAWTDOVIE-ZDUSSCGKSA-N 1 0 376.544 2.312 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(F)cc1Br ZINC000171722498 531914834 /nfs/dbraw/zinc/91/48/34/531914834.db2.gz UOVLKBFYYMHJCR-GFCCVEGCSA-N 1 0 387.297 2.023 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2n[nH]c3ccc(Br)cc32)n1 ZINC000171769257 531916753 /nfs/dbraw/zinc/91/67/53/531916753.db2.gz FJUWDSKYYBJURX-UHFFFAOYSA-N 1 0 377.246 2.336 20 0 GEADRO C[C@@H](CNC(=O)c1cnn2cc(Br)cnc12)[N@@H+]1CCC[C@H](C)C1 ZINC000093969726 531928809 /nfs/dbraw/zinc/92/88/09/531928809.db2.gz MZVSZXWZYRQNPE-RYUDHWBXSA-N 1 0 380.290 2.342 20 0 GEADRO C[NH+](C)CCC1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000094135180 531930926 /nfs/dbraw/zinc/93/09/26/531930926.db2.gz YLWMODQPAUGTAH-UHFFFAOYSA-N 1 0 380.290 2.296 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000172029672 531931146 /nfs/dbraw/zinc/93/11/46/531931146.db2.gz FCQPAMYZIRDGTL-UONOGXRCSA-N 1 0 394.313 2.212 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000097602729 531937513 /nfs/dbraw/zinc/93/75/13/531937513.db2.gz QEVRNPRWGXKQFJ-MNOVXSKESA-N 1 0 377.304 2.219 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCc2ccc(Br)cc21 ZINC000171953625 531927104 /nfs/dbraw/zinc/92/71/04/531927104.db2.gz VIRNJTFRSNIKSD-UHFFFAOYSA-N 1 0 394.313 2.330 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1cc(Cl)ccc1Cl ZINC000172342255 531948061 /nfs/dbraw/zinc/94/80/61/531948061.db2.gz CIQJNTDIKJJCRV-ZDUSSCGKSA-N 1 0 388.295 2.285 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000115868392 531958872 /nfs/dbraw/zinc/95/88/72/531958872.db2.gz PVEKEFKRZBEILH-XELLLNAOSA-N 1 0 387.933 2.004 20 0 GEADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000172634463 531962983 /nfs/dbraw/zinc/96/29/83/531962983.db2.gz LWPHCCBPKMQASX-UHFFFAOYSA-N 1 0 375.416 2.333 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000113899198 531953255 /nfs/dbraw/zinc/95/32/55/531953255.db2.gz VYRQBWDDBXPJHA-KGLIPLIRSA-N 1 0 385.555 2.122 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2cc(Br)ccc2F)CCOCC1 ZINC000114020670 531954311 /nfs/dbraw/zinc/95/43/11/531954311.db2.gz QXZHPRXKBXWUIJ-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO C[NH+](C)C[C@H]1CCN(CC(=O)Nc2ccc(I)cc2)C1 ZINC000114199916 531956461 /nfs/dbraw/zinc/95/64/61/531956461.db2.gz KGHBBCNAUGJIGE-GFCCVEGCSA-N 1 0 387.265 2.113 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000119312119 531965802 /nfs/dbraw/zinc/96/58/02/531965802.db2.gz NMNOIWWXBJEUBN-LBPRGKRZSA-N 1 0 384.249 2.223 20 0 GEADRO Cn1ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000627910301 531970628 /nfs/dbraw/zinc/97/06/28/531970628.db2.gz AHFDAWQRZLIGPP-ZDUSSCGKSA-N 1 0 384.267 2.085 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000120180729 531977444 /nfs/dbraw/zinc/97/74/44/531977444.db2.gz AWNYNOYHLBQOAD-DOMZBBRYSA-N 1 0 382.302 2.072 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)c(F)c1 ZINC000173024158 531980873 /nfs/dbraw/zinc/98/08/73/531980873.db2.gz HSTFFVURBMYAQX-SNVBAGLBSA-N 1 0 377.279 2.351 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000173088162 531986771 /nfs/dbraw/zinc/98/67/71/531986771.db2.gz HOGHZVKTABTFCJ-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000173106702 531988362 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Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Br ZINC000121091484 532013210 /nfs/dbraw/zinc/01/32/10/532013210.db2.gz VCZCFGYECZBRIN-OLZOCXBDSA-N 1 0 380.286 2.391 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1Br ZINC000121129559 532014428 /nfs/dbraw/zinc/01/44/28/532014428.db2.gz DDVCONHRUWOKTJ-VXGBXAGGSA-N 1 0 380.286 2.437 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000173607785 532023502 /nfs/dbraw/zinc/02/35/02/532023502.db2.gz UQAIOPLWIVFQJG-UHFFFAOYSA-N 1 0 389.949 2.487 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000173651754 532025097 /nfs/dbraw/zinc/02/50/97/532025097.db2.gz CBFXTEBMORYTFT-HNNXBMFYSA-N 1 0 398.345 2.312 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000173707269 532027787 /nfs/dbraw/zinc/02/77/87/532027787.db2.gz NAMNENYKVTUFOK-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000173719297 532027982 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CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000121543393 532033776 /nfs/dbraw/zinc/03/37/76/532033776.db2.gz PBJHFKGQZJWDBJ-CQSZACIVSA-N 1 0 386.480 2.323 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)C1 ZINC000173794766 532034335 /nfs/dbraw/zinc/03/43/35/532034335.db2.gz PBVWLXTYSDJNPH-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO C[C@@H](O)CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000173818688 532035416 /nfs/dbraw/zinc/03/54/16/532035416.db2.gz JMIRCPZZHGWKIB-MNOVXSKESA-N 1 0 376.238 2.321 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1Br ZINC000173821790 532035618 /nfs/dbraw/zinc/03/56/18/532035618.db2.gz WTTTYMRWSPEPMC-NWDGAFQWSA-N 1 0 389.315 2.315 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000173832419 532037005 /nfs/dbraw/zinc/03/70/05/532037005.db2.gz KUAZEGSZSNZLRB-CHWSQXEVSA-N 1 0 386.901 2.359 20 0 GEADRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1Br)CN1CCOCC1 ZINC000173840510 532037865 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CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000122486007 532071763 /nfs/dbraw/zinc/07/17/63/532071763.db2.gz OVZZQGOBXBGFHD-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000122486315 532071096 /nfs/dbraw/zinc/07/10/96/532071096.db2.gz LEOQDDFJLIBCSR-GFCCVEGCSA-N 1 0 393.289 2.445 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC[C@@H]1[NH3+] ZINC000122646697 532078381 /nfs/dbraw/zinc/07/83/81/532078381.db2.gz LPSOCGWIZXKBLT-GWCFXTLKSA-N 1 0 377.304 2.206 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174899759 532083054 /nfs/dbraw/zinc/08/30/54/532083054.db2.gz ZPKRQUYJKSSVHD-UHFFFAOYSA-N 1 0 378.217 2.124 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000174906626 532083171 /nfs/dbraw/zinc/08/31/71/532083171.db2.gz ZLPYCYGVUNVMAF-UHFFFAOYSA-N 1 0 383.945 2.010 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000175224370 532093411 /nfs/dbraw/zinc/09/34/11/532093411.db2.gz YCZZFIBJLKZJTO-LLVKDONJSA-N 1 0 380.436 2.414 20 0 GEADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1)c1ccc(Br)cc1 ZINC000175254248 532094805 /nfs/dbraw/zinc/09/48/05/532094805.db2.gz DYBYJZJJNGNQJP-QWHCGFSZSA-N 1 0 382.302 2.214 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1cccc(I)c1C ZINC000123208475 532095852 /nfs/dbraw/zinc/09/58/52/532095852.db2.gz UTCULNGROLGNLS-UHFFFAOYSA-N 1 0 390.265 2.298 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000123238316 532096491 /nfs/dbraw/zinc/09/64/91/532096491.db2.gz CQJWVMZWQBUGEE-CYBMUJFWSA-N 1 0 380.286 2.332 20 0 GEADRO COCCOCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000175585902 532109074 /nfs/dbraw/zinc/10/90/74/532109074.db2.gz WZTPPXAEPYYEIZ-CYBMUJFWSA-N 1 0 386.290 2.158 20 0 GEADRO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000123894599 532110246 /nfs/dbraw/zinc/11/02/46/532110246.db2.gz XNCGBLGXOOMUNL-UHFFFAOYSA-N 1 0 382.507 2.022 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn2cc(Br)cnc12 ZINC000124385719 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C[C@@H]1CN(C(=O)CN(C)[C@@H](CO)c2cccc(Br)c2)C[C@H](C)O1 ZINC000125611442 532139893 /nfs/dbraw/zinc/13/98/93/532139893.db2.gz OTKZKZQFXRLPDO-ZENOOKHLSA-N 1 0 385.302 2.050 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000124863871 532130937 /nfs/dbraw/zinc/13/09/37/532130937.db2.gz KBJQGZXTBPALBN-DGCLKSJQSA-N 1 0 387.265 2.207 20 0 GEADRO O=C(NCc1nc(C(F)(F)F)cs1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176300855 532133258 /nfs/dbraw/zinc/13/32/58/532133258.db2.gz UKWLFUKWKCJJLZ-NSHDSACASA-N 1 0 378.420 2.026 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N(C)C3CC[NH2+]CC3)CC2=O)ccc1Br ZINC000125410930 532135089 /nfs/dbraw/zinc/13/50/89/532135089.db2.gz VBAASSNZABSSHQ-CYBMUJFWSA-N 1 0 394.313 2.321 20 0 GEADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000176846425 532152445 /nfs/dbraw/zinc/15/24/45/532152445.db2.gz FHNPURUZXNTUNC-UHFFFAOYSA-N 1 0 385.711 2.341 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000176887922 532153314 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C[NH+](C)C1CCN(CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000176920555 532155825 /nfs/dbraw/zinc/15/58/25/532155825.db2.gz XEYLNBZAVMCALV-UHFFFAOYSA-N 1 0 380.341 2.298 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000176935581 532156604 /nfs/dbraw/zinc/15/66/04/532156604.db2.gz LFUDWLPCCDMDHU-UHFFFAOYSA-N 1 0 398.301 2.307 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1O ZINC000128101393 532161264 /nfs/dbraw/zinc/16/12/64/532161264.db2.gz DDKJNVBMELLSGM-GFCCVEGCSA-N 1 0 383.286 2.385 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000177112699 532161762 /nfs/dbraw/zinc/16/17/62/532161762.db2.gz VTTNSLBDPZTNRI-UHFFFAOYSA-N 1 0 386.309 2.273 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000128196947 532162250 /nfs/dbraw/zinc/16/22/50/532162250.db2.gz BOCKQVRAAUEFSO-INIZCTEOSA-N 1 0 384.318 2.093 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000128186446 532162831 /nfs/dbraw/zinc/16/28/31/532162831.db2.gz 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ZINC000177514513 532174755 /nfs/dbraw/zinc/17/47/55/532174755.db2.gz FEXVSUGKQFOTCR-VXGBXAGGSA-N 1 0 393.962 2.011 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1cc(I)ccc1O ZINC000129212007 532175279 /nfs/dbraw/zinc/17/52/79/532175279.db2.gz AXOMKDAQLZIDFF-UHFFFAOYSA-N 1 0 376.238 2.411 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000177535142 532175527 /nfs/dbraw/zinc/17/55/27/532175527.db2.gz CQUSUFODSCDNHO-KGLIPLIRSA-N 1 0 385.555 2.135 20 0 GEADRO O=C(c1cccnc1SC(F)(F)F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178090809 532192231 /nfs/dbraw/zinc/19/22/31/532192231.db2.gz LWZNHPYXUPQFPS-LBPRGKRZSA-N 1 0 375.416 2.488 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000130707178 532193312 /nfs/dbraw/zinc/19/33/12/532193312.db2.gz CMSXRFCRPXRTKW-UHOFOFEASA-N 1 0 396.329 2.430 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178110929 532193533 /nfs/dbraw/zinc/19/35/33/532193533.db2.gz SGNGYFVDVSSPPR-HUUCEWRRSA-N 1 0 397.313 2.397 20 0 GEADRO CSc1ncc(Cl)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000178134692 532194276 /nfs/dbraw/zinc/19/42/76/532194276.db2.gz JEWLFIKGBWDUMT-ZIAGYGMSSA-N 1 0 384.933 2.350 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2c(Cl)cnn2C)s1 ZINC000131177317 532194767 /nfs/dbraw/zinc/19/47/67/532194767.db2.gz WKJYHRQIAOAXQV-UHFFFAOYSA-N 1 0 390.962 2.498 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000178415386 532200729 /nfs/dbraw/zinc/20/07/29/532200729.db2.gz GRUWKGQNERNSEG-UHFFFAOYSA-N 1 0 398.276 2.079 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000177966466 532187679 /nfs/dbraw/zinc/18/76/79/532187679.db2.gz OCEHNBCADUTBLW-UHFFFAOYSA-N 1 0 385.306 2.486 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177967929 532187834 /nfs/dbraw/zinc/18/78/34/532187834.db2.gz WBMQMIDLUSNWJO-NWDGAFQWSA-N 1 0 385.306 2.390 20 0 GEADRO C[NH2+]CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000178413268 532200811 /nfs/dbraw/zinc/20/08/11/532200811.db2.gz YKBSTDJZXJVHFG-UHFFFAOYSA-N 1 0 387.933 2.244 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178008625 532189624 /nfs/dbraw/zinc/18/96/24/532189624.db2.gz CKQRFSQEOZSPGG-CHWSQXEVSA-N 1 0 398.301 2.385 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCn2ccnc2)CC1 ZINC000131834622 532204706 /nfs/dbraw/zinc/20/47/06/532204706.db2.gz WVQGHHYEEKNLQR-UHFFFAOYSA-N 1 0 378.274 2.391 20 0 GEADRO COc1cc(CNC(=O)C[C@H]2CSCC[NH2+]2)ccc1OCC(F)(F)F ZINC000132025794 532207961 /nfs/dbraw/zinc/20/79/61/532207961.db2.gz ZCYABLKXFPRNII-LBPRGKRZSA-N 1 0 378.416 2.348 20 0 GEADRO CC(C)(C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(Br)cc1 ZINC000132191843 532210325 /nfs/dbraw/zinc/21/03/25/532210325.db2.gz HQLLIUYPBUJKQJ-CYBMUJFWSA-N 1 0 396.329 2.040 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)c2cc(Br)ccc2I)C1 ZINC000132212660 532211432 /nfs/dbraw/zinc/21/14/32/532211432.db2.gz TYAOFLWRCXOAOS-MRVPVSSYSA-N 1 0 395.038 2.227 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178784530 532212791 /nfs/dbraw/zinc/21/27/91/532212791.db2.gz VELFWOOUSGQRCE-ZDUSSCGKSA-N 1 0 386.901 2.233 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000132368072 532213890 /nfs/dbraw/zinc/21/38/90/532213890.db2.gz GHYGMAGQDYRJNJ-UHFFFAOYSA-N 1 0 378.274 2.198 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000132369460 532213909 /nfs/dbraw/zinc/21/39/09/532213909.db2.gz OPDFXEFTGSUSGD-CYBMUJFWSA-N 1 0 385.917 2.078 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178822349 532214165 /nfs/dbraw/zinc/21/41/65/532214165.db2.gz IYRYPJCPXQBGOM-CABCVRRESA-N 1 0 396.329 2.430 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000178856339 532214956 /nfs/dbraw/zinc/21/49/56/532214956.db2.gz TWDSWUWALVBFKZ-LBPRGKRZSA-N 1 0 382.302 2.155 20 0 GEADRO CCCN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CC[NH2+]C1 ZINC000178885819 532215403 /nfs/dbraw/zinc/21/54/03/532215403.db2.gz UUSPUFCZQRTEQV-GFCCVEGCSA-N 1 0 389.315 2.067 20 0 GEADRO C[NH+]1CCC(N(CCO)Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000178873657 532215901 /nfs/dbraw/zinc/21/59/01/532215901.db2.gz GHCGCHRSYOBHTN-UHFFFAOYSA-N 1 0 385.302 2.109 20 0 GEADRO CCCN(C(=O)CN(C)C(=O)c1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000178895337 532217004 /nfs/dbraw/zinc/21/70/04/532217004.db2.gz HBAYKTXNCKUFEB-LLVKDONJSA-N 1 0 388.331 2.183 20 0 GEADRO COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@@H](c1cccs1)N(C)C ZINC000178495299 532203002 /nfs/dbraw/zinc/20/30/02/532203002.db2.gz STRARRIBRMBNJE-ZDUSSCGKSA-N 1 0 386.470 2.255 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000131834214 532204186 /nfs/dbraw/zinc/20/41/86/532204186.db2.gz AFXNMZGHWYDTDC-ZDUSSCGKSA-N 1 0 378.274 2.391 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000179291450 532227719 /nfs/dbraw/zinc/22/77/19/532227719.db2.gz QFKZXRCGIVCUEW-VIFPVBQESA-N 1 0 383.258 2.300 20 0 GEADRO CC[C@](C)([NH2+]CCCOc1cccc(I)c1)C(N)=O ZINC000133180921 532228746 /nfs/dbraw/zinc/22/87/46/532228746.db2.gz LRUZJVADILECNX-AWEZNQCLSA-N 1 0 376.238 2.304 20 0 GEADRO COc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)sc1Br ZINC000179371838 532229385 /nfs/dbraw/zinc/22/93/85/532229385.db2.gz HGKIEWUFNCMBNO-JTQLQIEISA-N 1 0 377.304 2.096 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccnc2Br)([NH+](C)C)C1 ZINC000179552439 532235853 /nfs/dbraw/zinc/23/58/53/532235853.db2.gz XCUYRQLCEOYVMJ-YVEFUNNKSA-N 1 0 397.317 2.409 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179567010 532235913 /nfs/dbraw/zinc/23/59/13/532235913.db2.gz ANCUJPROWJBQTR-LLVKDONJSA-N 1 0 391.331 2.313 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000178976799 532219826 /nfs/dbraw/zinc/21/98/26/532219826.db2.gz JZFDBNFNSFGQNO-QMMMGPOBSA-N 1 0 380.176 2.251 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[NH2+]C1(CO)CCCC1 ZINC000179060619 532221421 /nfs/dbraw/zinc/22/14/21/532221421.db2.gz OBODITLBTCEANK-UHFFFAOYSA-N 1 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C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000134708408 532262255 /nfs/dbraw/zinc/26/22/55/532262255.db2.gz AOLTVGNOVZCKJV-CABCVRRESA-N 1 0 387.571 2.083 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cccnc2Br)CC1 ZINC000135222936 532268646 /nfs/dbraw/zinc/26/86/46/532268646.db2.gz UYPFOEBPEQKJNX-GASCZTMLSA-N 1 0 395.345 2.475 20 0 GEADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3cncc(Br)c3)C2)CC1 ZINC000180656670 532277146 /nfs/dbraw/zinc/27/71/46/532277146.db2.gz RPFUEKFDIPUJFC-INIZCTEOSA-N 1 0 396.333 2.478 20 0 GEADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000180831595 532282148 /nfs/dbraw/zinc/28/21/48/532282148.db2.gz LOXZYEKANJVCPL-ZDUSSCGKSA-N 1 0 381.523 2.127 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000180834155 532282712 /nfs/dbraw/zinc/28/27/12/532282712.db2.gz RBOWYGMNMZIZNQ-CYBMUJFWSA-N 1 0 382.507 2.334 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000180819270 532282859 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C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccnc1Br ZINC000181373351 532296564 /nfs/dbraw/zinc/29/65/64/532296564.db2.gz TYVRNLHXGYLPAO-LBPRGKRZSA-N 1 0 383.290 2.163 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000181347164 532296623 /nfs/dbraw/zinc/29/66/23/532296623.db2.gz FVIOUUSLKDKMTA-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO C[C@H](NC(=O)Cn1cc(Br)ccc1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181468647 532299220 /nfs/dbraw/zinc/29/92/20/532299220.db2.gz GGTMJPPFNVHYIW-UONOGXRCSA-N 1 0 396.329 2.380 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+]C(C)(C)c2ccccc2Br)nn1 ZINC000181524970 532300098 /nfs/dbraw/zinc/30/00/98/532300098.db2.gz WWLSEORIYHCURP-UHFFFAOYSA-N 1 0 381.274 2.281 20 0 GEADRO COCCCS(=O)(=O)NCC[NH2+]C(C)(C)c1ccccc1Br ZINC000181522473 532300441 /nfs/dbraw/zinc/30/04/41/532300441.db2.gz IBPDCZNLTSOTGH-UHFFFAOYSA-N 1 0 393.347 2.230 20 0 GEADRO O=C(NCCSC(F)(F)F)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000181575741 532301992 /nfs/dbraw/zinc/30/19/92/532301992.db2.gz 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CCS(=O)(=O)C[C@H](C)[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000182889341 532319121 /nfs/dbraw/zinc/31/91/21/532319121.db2.gz ITMUIHMQEWKLPB-INIZCTEOSA-N 1 0 387.977 2.265 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183007942 532320550 /nfs/dbraw/zinc/32/05/50/532320550.db2.gz UJBPHWWKEKPNMG-UHFFFAOYSA-N 1 0 394.269 2.137 20 0 GEADRO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000183015782 532321222 /nfs/dbraw/zinc/32/12/22/532321222.db2.gz IXDADKMRMRFDRB-LRDDRELGSA-N 1 0 381.523 2.141 20 0 GEADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183265116 532322736 /nfs/dbraw/zinc/32/27/36/532322736.db2.gz WCSXEYZYAHQMPB-NSHDSACASA-N 1 0 398.301 2.486 20 0 GEADRO COc1ccc(C(=O)NCC2(C)CC[NH2+]CC2)c(I)c1 ZINC000183308435 532323210 /nfs/dbraw/zinc/32/32/10/532323210.db2.gz CIAWPWXRZBJBRU-UHFFFAOYSA-N 1 0 388.249 2.419 20 0 GEADRO COc1cc(C[NH2+]CCCCCS(C)(=O)=O)cc(Br)c1O ZINC000185210281 532337205 /nfs/dbraw/zinc/33/72/05/532337205.db2.gz DIRKIJGZPYOSNX-UHFFFAOYSA-N 1 0 380.304 2.468 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185238801 532337368 /nfs/dbraw/zinc/33/73/68/532337368.db2.gz LYWCOPTXCWLJAT-UHFFFAOYSA-N 1 0 382.507 2.403 20 0 GEADRO CSc1ccc(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000185656871 532338336 /nfs/dbraw/zinc/33/83/36/532338336.db2.gz NTFXVMQOUVGRHU-UHFFFAOYSA-N 1 0 391.990 2.320 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000185926702 532338998 /nfs/dbraw/zinc/33/89/98/532338998.db2.gz REUPAVXALYUMEN-AWEZNQCLSA-N 1 0 394.313 2.300 20 0 GEADRO COCC[N@H+](C)CCNC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000185924328 532339025 /nfs/dbraw/zinc/33/90/25/532339025.db2.gz YOAGDUZSMHUOCK-UHFFFAOYSA-N 1 0 393.315 2.423 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000186457068 532340829 /nfs/dbraw/zinc/34/08/29/532340829.db2.gz XFVYSDNPOGXGKS-ZIAGYGMSSA-N 1 0 378.489 2.185 20 0 GEADRO Cc1c(C(=O)Nc2cc(Br)cc(C)c2N)nnn1C1CC[NH2+]CC1 ZINC000186513812 532341048 /nfs/dbraw/zinc/34/10/48/532341048.db2.gz GZGZZACNYFIOOV-UHFFFAOYSA-N 1 0 393.289 2.416 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cncc(Br)c1)NCc1ccccc1 ZINC000186607359 532341405 /nfs/dbraw/zinc/34/14/05/532341405.db2.gz HCICXYUCEJLPQG-UHFFFAOYSA-N 1 0 384.299 2.053 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186777162 532341895 /nfs/dbraw/zinc/34/18/95/532341895.db2.gz FGWXVPNRGZVFNI-SNVBAGLBSA-N 1 0 388.331 2.182 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)NCc1ccc(Br)cc1OC ZINC000186854407 532342247 /nfs/dbraw/zinc/34/22/47/532342247.db2.gz XYZPFKOTHDMYKM-UHFFFAOYSA-N 1 0 388.306 2.225 20 0 GEADRO COc1c(Br)cccc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000186933221 532342688 /nfs/dbraw/zinc/34/26/88/532342688.db2.gz JYRATZWMWUMNSP-UHFFFAOYSA-N 1 0 396.329 2.198 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1cccc(Br)c1 ZINC000186931746 532342700 /nfs/dbraw/zinc/34/27/00/532342700.db2.gz VHEYCIRYZSFVLY-ZDUSSCGKSA-N 1 0 385.302 2.132 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000187100858 532343077 /nfs/dbraw/zinc/34/30/77/532343077.db2.gz WEPDPELUXLNAIU-UHFFFAOYSA-N 1 0 382.555 2.336 20 0 GEADRO Brc1ccc2[nH]c(CN3CC[NH+](C[C@H]4CCOC4)CC3)nc2c1 ZINC000187131976 532343281 /nfs/dbraw/zinc/34/32/81/532343281.db2.gz VQRLYZWYJLPABG-CYBMUJFWSA-N 1 0 379.302 2.480 20 0 GEADRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000183663882 532327575 /nfs/dbraw/zinc/32/75/75/532327575.db2.gz XOZMDZYHAUPULY-CYBMUJFWSA-N 1 0 378.441 2.008 20 0 GEADRO CNC(=O)[C@@H]([NH2+]CCCOc1cccc(I)c1)C(C)C ZINC000183664182 532327607 /nfs/dbraw/zinc/32/76/07/532327607.db2.gz KTBHIMONNWFXBN-AWEZNQCLSA-N 1 0 390.265 2.420 20 0 GEADRO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C[N@@H+]1C1CC1 ZINC000183881064 532329716 /nfs/dbraw/zinc/32/97/16/532329716.db2.gz GXDMJVJHSZHPAQ-UWVGGRQHSA-N 1 0 394.269 2.135 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1Cl ZINC000184084203 532330732 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CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)c(C)cc1OC ZINC000184668689 532334041 /nfs/dbraw/zinc/33/40/41/532334041.db2.gz FMKLKVLGKICASS-GFCCVEGCSA-N 1 0 398.301 2.305 20 0 GEADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)NCC(F)(F)CO ZINC000184871179 532335223 /nfs/dbraw/zinc/33/52/23/532335223.db2.gz ZEEPHFMYKKPSPU-UHFFFAOYSA-N 1 0 375.847 2.479 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@@H]12 ZINC000185009012 532336612 /nfs/dbraw/zinc/33/66/12/532336612.db2.gz BGONGMCHKXNOCP-GAJTVXKRSA-N 1 0 376.254 2.100 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188031110 532346405 /nfs/dbraw/zinc/34/64/05/532346405.db2.gz SEWBUCQUXBSLAS-CYBMUJFWSA-N 1 0 384.318 2.436 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000188126675 532346705 /nfs/dbraw/zinc/34/67/05/532346705.db2.gz FGYCTGBORJAAKW-BXUZGUMPSA-N 1 0 380.286 2.437 20 0 GEADRO COC[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000188197621 532347282 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O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[NH+]2CCC1CC2 ZINC000188844632 532349813 /nfs/dbraw/zinc/34/98/13/532349813.db2.gz ZVIPGINSWXMGAR-ZDUSSCGKSA-N 1 0 392.297 2.109 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000189124825 532351094 /nfs/dbraw/zinc/35/10/94/532351094.db2.gz OZKGPTXLJYRUKX-UHFFFAOYSA-N 1 0 387.958 2.471 20 0 GEADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000189397784 532352179 /nfs/dbraw/zinc/35/21/79/532352179.db2.gz MTFOIAWDCLVTTG-OAHLLOKOSA-N 1 0 395.301 2.260 20 0 GEADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000189397150 532352189 /nfs/dbraw/zinc/35/21/89/532352189.db2.gz ABCGWXLSSLBSOJ-CQSZACIVSA-N 1 0 395.301 2.260 20 0 GEADRO C[C@H](NS(=O)(=O)CC[NH+]1CCCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000189441732 532352247 /nfs/dbraw/zinc/35/22/47/532352247.db2.gz VJQHNJKFEHLBNO-LBPRGKRZSA-N 1 0 384.889 2.466 20 0 GEADRO COc1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(Br)c1OC ZINC000189572570 532352933 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GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000190095266 532354757 /nfs/dbraw/zinc/35/47/57/532354757.db2.gz UXJMPYBVGQZLGO-GFCCVEGCSA-N 1 0 376.544 2.488 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000190173315 532355229 /nfs/dbraw/zinc/35/52/29/532355229.db2.gz LBJBELJKMODGJR-AWEZNQCLSA-N 1 0 386.539 2.386 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@H](C)c2cccc(Br)c2)C1 ZINC000190282162 532355456 /nfs/dbraw/zinc/35/54/56/532355456.db2.gz UVHCFBURKUYJNG-LBPRGKRZSA-N 1 0 375.332 2.424 20 0 GEADRO NCC(F)(F)CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000190272153 532355460 /nfs/dbraw/zinc/35/54/60/532355460.db2.gz DMUIZJMNFORIAP-GFCCVEGCSA-N 1 0 380.222 2.308 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000190350688 532355797 /nfs/dbraw/zinc/35/57/97/532355797.db2.gz RZLKQRZESARDLQ-CQSZACIVSA-N 1 0 382.346 2.442 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000190391695 532355926 /nfs/dbraw/zinc/35/59/26/532355926.db2.gz NXAZLWPVGUNLKV-NOZJJQNGSA-N 1 0 375.252 2.421 20 0 GEADRO Cc1nnsc1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000190516201 532356467 /nfs/dbraw/zinc/35/64/67/532356467.db2.gz FIHCXSKGZOVRDY-UHFFFAOYSA-N 1 0 379.917 2.442 20 0 GEADRO COC[C@H](O)C[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190512409 532356531 /nfs/dbraw/zinc/35/65/31/532356531.db2.gz BCMKZEOBAQCLBG-CABCVRRESA-N 1 0 388.302 2.446 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc(C)c1Br ZINC000190553202 532356692 /nfs/dbraw/zinc/35/66/92/532356692.db2.gz PPPKWDUKJUORPJ-HNNXBMFYSA-N 1 0 392.297 2.477 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(F)cc(F)c1Br ZINC000190667152 532357375 /nfs/dbraw/zinc/35/73/75/532357375.db2.gz KPEYLHRXVVABNE-SNVBAGLBSA-N 1 0 391.260 2.485 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)C1 ZINC000190686716 532357504 /nfs/dbraw/zinc/35/75/04/532357504.db2.gz DSKLENHYRUBMIY-CYBMUJFWSA-N 1 0 376.469 2.480 20 0 GEADRO O=C(Cc1ccc(I)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000190884690 532358536 /nfs/dbraw/zinc/35/85/36/532358536.db2.gz QLFLOLSKWROSEE-ZDUSSCGKSA-N 1 0 384.261 2.434 20 0 GEADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCOC3)cc2Br)CC1 ZINC000191094155 532359546 /nfs/dbraw/zinc/35/95/46/532359546.db2.gz TXQTVMJZUVPMFA-AWEZNQCLSA-N 1 0 382.302 2.172 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000187389513 532344378 /nfs/dbraw/zinc/34/43/78/532344378.db2.gz CDBKXBHGJMAKKL-GFCCVEGCSA-N 1 0 387.311 2.074 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000187419129 532344443 /nfs/dbraw/zinc/34/44/43/532344443.db2.gz OKOLCQYUJSSYMC-LSDHHAIUSA-N 1 0 386.279 2.301 20 0 GEADRO O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@H]1C[NH2+]CCO1 ZINC000187523628 532344743 /nfs/dbraw/zinc/34/47/43/532344743.db2.gz HRNVDQDOSUVFEH-CYBMUJFWSA-N 1 0 382.283 2.423 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000647257275 532372114 /nfs/dbraw/zinc/37/21/14/532372114.db2.gz XRVTUMTXWANORQ-CYBMUJFWSA-N 1 0 391.331 2.466 20 0 GEADRO C[NH+]1CCC(NS(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000557789885 532372261 /nfs/dbraw/zinc/37/22/61/532372261.db2.gz GQLFIYDLVMYLQR-UHFFFAOYSA-N 1 0 384.299 2.370 20 0 GEADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccccc2C(F)(F)F)CCCO1 ZINC000278037567 532372334 /nfs/dbraw/zinc/37/23/34/532372334.db2.gz XHGXNJSHXYOUJZ-CYBMUJFWSA-N 1 0 380.432 2.485 20 0 GEADRO COC1CC[NH+](CCNC(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621904100 532372350 /nfs/dbraw/zinc/37/23/50/532372350.db2.gz BOASMROXUXSKQN-UHFFFAOYSA-N 1 0 385.258 2.018 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1Cl ZINC000647256190 532372535 /nfs/dbraw/zinc/37/25/35/532372535.db2.gz HKSSPFWWMVYUGW-CQSZACIVSA-N 1 0 377.869 2.056 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)c1[nH]nc2ccc(I)cc21 ZINC000463434452 532372695 /nfs/dbraw/zinc/37/26/95/532372695.db2.gz DVJYYQCHSSZTTP-UHFFFAOYSA-N 1 0 398.248 2.383 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000621960450 532372790 /nfs/dbraw/zinc/37/27/90/532372790.db2.gz XBXUSJQMVJDYJQ-KRWDZBQOSA-N 1 0 387.318 2.425 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(OC)ccc2Br)CC[C@@H]1[NH3+] ZINC000647268671 532373144 /nfs/dbraw/zinc/37/31/44/532373144.db2.gz FSHPYSVPDSSHBD-MFKMUULPSA-N 1 0 377.304 2.206 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2Br)CC[C@H]1[NH3+] ZINC000647268604 532373331 /nfs/dbraw/zinc/37/33/31/532373331.db2.gz FCAFZMOCCNEQQM-GXFFZTMASA-N 1 0 377.304 2.206 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647265461 532373504 /nfs/dbraw/zinc/37/35/04/532373504.db2.gz KJZUNRCCZGLPRY-MNOVXSKESA-N 1 0 386.315 2.299 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc3c(cc2Br)OCO3)CC[N@@H+]1CC(C)(C)O ZINC000621966051 532374346 /nfs/dbraw/zinc/37/43/46/532374346.db2.gz NITUOSRQHSOHNC-LLVKDONJSA-N 1 0 399.285 2.095 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1Cl ZINC000425214655 532374994 /nfs/dbraw/zinc/37/49/94/532374994.db2.gz KGOMOZBEIZYYJO-XHDPSFHLSA-N 1 0 389.880 2.152 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000647522880 532375046 /nfs/dbraw/zinc/37/50/46/532375046.db2.gz PYEHBULBFJHWLY-HOTGVXAUSA-N 1 0 391.339 2.416 20 0 GEADRO COc1cc2[nH+]ccc(N[C@H]3CCCS(=O)(=O)C3)c2cc1Br ZINC000425222732 532376187 /nfs/dbraw/zinc/37/61/87/532376187.db2.gz BAHSAKXSJNKRAT-JTQLQIEISA-N 1 0 385.283 2.417 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425225897 532376420 /nfs/dbraw/zinc/37/64/20/532376420.db2.gz DYTRJOSJIQRYPD-UHFFFAOYSA-N 1 0 376.469 2.395 20 0 GEADRO COC(=O)c1coc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000372231926 532377909 /nfs/dbraw/zinc/37/79/09/532377909.db2.gz OJIRFGLFWBMPGA-NHYWBVRUSA-N 1 0 384.479 2.099 20 0 GEADRO COc1cc2[nH+]ccc(N3CCO[C@H](CNC(C)=O)C3)c2cc1Br ZINC000425239502 532378098 /nfs/dbraw/zinc/37/80/98/532378098.db2.gz XBCORDYWJWICEA-GFCCVEGCSA-N 1 0 394.269 2.347 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCn1cccn1 ZINC000294737481 532378440 /nfs/dbraw/zinc/37/84/40/532378440.db2.gz HGGBSHRSHTXNMS-CYBMUJFWSA-N 1 0 395.301 2.291 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000191453872 532361020 /nfs/dbraw/zinc/36/10/20/532361020.db2.gz TZRXLHSPZDMWJA-MEDUHNTESA-N 1 0 388.306 2.131 20 0 GEADRO O=C(C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)N1CCOCC1 ZINC000191540782 532361220 /nfs/dbraw/zinc/36/12/20/532361220.db2.gz RXDPFKLZABABTI-GOSISDBHSA-N 1 0 397.313 2.365 20 0 GEADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)n1 ZINC000191561570 532361403 /nfs/dbraw/zinc/36/14/03/532361403.db2.gz DOKXGINXXQSCIX-CYBMUJFWSA-N 1 0 382.507 2.314 20 0 GEADRO Cc1ccc(Br)nc1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000191619838 532361590 /nfs/dbraw/zinc/36/15/90/532361590.db2.gz DDTWFOVLVKYJEH-AWEZNQCLSA-N 1 0 383.334 2.154 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2nc(Br)ccc2C)CC1 ZINC000191624994 532361632 /nfs/dbraw/zinc/36/16/32/532361632.db2.gz GNKMDJIIGHFXOX-UHFFFAOYSA-N 1 0 383.334 2.300 20 0 GEADRO C[NH+](C)C[C@@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CCO1 ZINC000191608451 532361638 /nfs/dbraw/zinc/36/16/38/532361638.db2.gz ZHJDEBUFVDTTGW-QGZVFWFLSA-N 1 0 398.345 2.048 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2cccc(Br)c2C)CC1 ZINC000191687382 532361834 /nfs/dbraw/zinc/36/18/34/532361834.db2.gz RRPWCXMNTMNCNE-AWEZNQCLSA-N 1 0 382.346 2.442 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1=O ZINC000371906332 532362152 /nfs/dbraw/zinc/36/21/52/532362152.db2.gz TVNPPDWHNOKTEE-NJZAAPMLSA-N 1 0 395.301 2.096 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1=O ZINC000371906331 532362227 /nfs/dbraw/zinc/36/22/27/532362227.db2.gz TVNPPDWHNOKTEE-LNSITVRQSA-N 1 0 395.301 2.096 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515433012 532364192 /nfs/dbraw/zinc/36/41/92/532364192.db2.gz OUJDKAPOUNHHPG-HOTGVXAUSA-N 1 0 394.313 2.117 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)C2 ZINC000621697284 532364603 /nfs/dbraw/zinc/36/46/03/532364603.db2.gz DOEUYCGVRGGWPT-SJCJKPOMSA-N 1 0 395.301 2.301 20 0 GEADRO Cc1c(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000621694350 532364952 /nfs/dbraw/zinc/36/49/52/532364952.db2.gz FPWORGWESDPJNB-PXAZEXFGSA-N 1 0 390.285 2.292 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cc1ccnn1C ZINC000425096954 532365301 /nfs/dbraw/zinc/36/53/01/532365301.db2.gz GPDQTLVBFOYAHE-UHFFFAOYSA-N 1 0 394.317 2.362 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590012341 532365609 /nfs/dbraw/zinc/36/56/09/532365609.db2.gz RMMKYWDOZUGYON-IINYFYTJSA-N 1 0 386.279 2.354 20 0 GEADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)C2 ZINC000621697285 532366184 /nfs/dbraw/zinc/36/61/84/532366184.db2.gz DOEUYCGVRGGWPT-SJKOYZFVSA-N 1 0 395.301 2.301 20 0 GEADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(OC)cc1I ZINC000277937585 532366613 /nfs/dbraw/zinc/36/66/13/532366613.db2.gz FWXHMLYGNSKPIL-UHFFFAOYSA-N 1 0 377.226 2.419 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C ZINC000677191614 532366949 /nfs/dbraw/zinc/36/69/49/532366949.db2.gz ILMMODXAGZDIKI-CJNGLKHVSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000463113881 532366947 /nfs/dbraw/zinc/36/69/47/532366947.db2.gz PYIOKOWAVPGACJ-CYBMUJFWSA-N 1 0 375.485 2.317 20 0 GEADRO O=C(NCCN1CCc2sccc2C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000557564444 532367548 /nfs/dbraw/zinc/36/75/48/532367548.db2.gz SDPCIRZRETVIMU-QGZVFWFLSA-N 1 0 379.595 2.440 20 0 GEADRO CN(C(=O)Nc1cc(F)c(F)cc1I)[C@H]1CC[NH2+]C1 ZINC000515517228 532367588 /nfs/dbraw/zinc/36/75/88/532367588.db2.gz CZOUKOQBTUBHFH-ZETCQYMHSA-N 1 0 381.164 2.395 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000590320751 532367885 /nfs/dbraw/zinc/36/78/85/532367885.db2.gz ASEBOSXSWLQZMH-CYBMUJFWSA-N 1 0 377.312 2.122 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C(F)F ZINC000515519314 532368461 /nfs/dbraw/zinc/36/84/61/532368461.db2.gz KFHHXODDGKDEQT-ZDUSSCGKSA-N 1 0 376.473 2.019 20 0 GEADRO O=C(c1cccnc1-n1cc(Br)cn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000294584645 532369163 /nfs/dbraw/zinc/36/91/63/532369163.db2.gz BURWGKSTXOHXKS-CQSZACIVSA-N 1 0 390.285 2.340 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@H](CO)c2ccccc2)CC1 ZINC000372056797 532370607 /nfs/dbraw/zinc/37/06/07/532370607.db2.gz WHVQNZNYYYKYRK-MRXNPFEDSA-N 1 0 380.535 2.267 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372111672 532371658 /nfs/dbraw/zinc/37/16/58/532371658.db2.gz WEUQTCQBOFTBBG-HOTGVXAUSA-N 1 0 385.277 2.188 20 0 GEADRO CC(C)(C[NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@]1(O)CCOC1 ZINC000647247549 532371923 /nfs/dbraw/zinc/37/19/23/532371923.db2.gz RJGHGOVYRFICSC-QGZVFWFLSA-N 1 0 395.301 2.297 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1Br ZINC000192028402 532379197 /nfs/dbraw/zinc/37/91/97/532379197.db2.gz UNOBYAORPODFQC-CYBMUJFWSA-N 1 0 377.304 2.254 20 0 GEADRO O=C(CSCc1ccc(Br)cc1F)NC[C@H]1C[NH2+]CCCO1 ZINC000590662577 532379412 /nfs/dbraw/zinc/37/94/12/532379412.db2.gz YVUNQNIHVZYHCJ-CYBMUJFWSA-N 1 0 391.306 2.316 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(Cl)c(F)cc1Br ZINC000294744177 532379558 /nfs/dbraw/zinc/37/95/58/532379558.db2.gz WUULYAGYXNAAHJ-VIFPVBQESA-N 1 0 378.673 2.217 20 0 GEADRO COCCN1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1=O ZINC000425249442 532379711 /nfs/dbraw/zinc/37/97/11/532379711.db2.gz UCZJVICTUJXRAG-UHFFFAOYSA-N 1 0 394.269 2.301 20 0 GEADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H](C)C1 ZINC000558027780 532380278 /nfs/dbraw/zinc/38/02/78/532380278.db2.gz UGTHBZYCBQUKIL-MISXGVKJSA-N 1 0 387.265 2.422 20 0 GEADRO Cc1ccc(OCCC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c(Br)c1 ZINC000647709423 532380427 /nfs/dbraw/zinc/38/04/27/532380427.db2.gz WKBNJCGNJOJVEA-CABCVRRESA-N 1 0 397.313 2.194 20 0 GEADRO C[NH+](C)C[C@@H](CO)NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000647710072 532380973 /nfs/dbraw/zinc/38/09/73/532380973.db2.gz KXFIYYYEYZHZAI-QMMMGPOBSA-N 1 0 390.328 2.286 20 0 GEADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NC(=O)NCC(F)(F)F ZINC000192053422 532380962 /nfs/dbraw/zinc/38/09/62/532380962.db2.gz JBBJIZAUSMVGRJ-DGCLKSJQSA-N 1 0 379.766 2.148 20 0 GEADRO CC[C@@H]1CN(Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C[C@H]1O ZINC000294765742 532381071 /nfs/dbraw/zinc/38/10/71/532381071.db2.gz JDRQDJPANCSMKR-LALPHHSUSA-N 1 0 385.302 2.165 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000677654400 532381481 /nfs/dbraw/zinc/38/14/81/532381481.db2.gz WJJBBZYGRCXIDX-OAHLLOKOSA-N 1 0 386.721 2.453 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000622890097 532381717 /nfs/dbraw/zinc/38/17/17/532381717.db2.gz YAXQSLKDRDSGCN-UHFFFAOYSA-N 1 0 395.305 2.133 20 0 GEADRO COC(=O)CN1CCC[C@H](CNC(=O)c2cc(Br)c(C)s2)C1 ZINC000425312080 532383528 /nfs/dbraw/zinc/38/35/28/532383528.db2.gz JDLQASBUSLEOCG-LLVKDONJSA-N 1 0 389.315 2.434 20 0 GEADRO C[C@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000647904612 532383641 /nfs/dbraw/zinc/38/36/41/532383641.db2.gz OKDVLWMFYGGYNQ-GWCFXTLKSA-N 1 0 376.404 2.398 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903507 532384493 /nfs/dbraw/zinc/38/44/93/532384493.db2.gz KWKVHEOLEMXSOZ-UKRRQHHQSA-N 1 0 391.317 2.389 20 0 GEADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192075268 532384572 /nfs/dbraw/zinc/38/45/72/532384572.db2.gz FIQZQHKXEBQWSI-WMLDXEAASA-N 1 0 394.313 2.355 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000516276811 532385200 /nfs/dbraw/zinc/38/52/00/532385200.db2.gz MTUXNHWEKQGAAT-KRWDZBQOSA-N 1 0 386.945 2.006 20 0 GEADRO C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000648137403 532385576 /nfs/dbraw/zinc/38/55/76/532385576.db2.gz DIZIVMQTQIOEGR-PWSUYJOCSA-N 1 0 379.507 2.105 20 0 GEADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000372327096 532385662 /nfs/dbraw/zinc/38/56/62/532385662.db2.gz UZMBQLKWOYEQBC-DZGCQCFKSA-N 1 0 376.254 2.377 20 0 GEADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000516470227 532385818 /nfs/dbraw/zinc/38/58/18/532385818.db2.gz JCWLOTYALMTIGT-GHMZBOCLSA-N 1 0 379.404 2.404 20 0 GEADRO COc1cccc([C@H](CNC(=O)c2c(Br)cnn2C)[NH+](C)C)c1 ZINC000294827263 532386056 /nfs/dbraw/zinc/38/60/56/532386056.db2.gz RYNGAHGTRILNEQ-AWEZNQCLSA-N 1 0 381.274 2.224 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000278545019 532386379 /nfs/dbraw/zinc/38/63/79/532386379.db2.gz ULDYZIXHCTZGLD-UHFFFAOYSA-N 1 0 379.258 2.088 20 0 GEADRO CC[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[C@@H]1[NH3+] ZINC000648124787 532386658 /nfs/dbraw/zinc/38/66/58/532386658.db2.gz CHFHWBNXWGPTDN-GWCFXTLKSA-N 1 0 378.270 2.490 20 0 GEADRO CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C(N)=O)c1cccc(Br)c1 ZINC000372358440 532387273 /nfs/dbraw/zinc/38/72/73/532387273.db2.gz IRJBEHFAPCDARG-ZACQAIPSSA-N 1 0 394.313 2.451 20 0 GEADRO C[C@H](CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623373789 532388048 /nfs/dbraw/zinc/38/80/48/532388048.db2.gz LVQQNTRERPZULU-ZDUSSCGKSA-N 1 0 377.312 2.422 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)ncc1Br ZINC000623375694 532388173 /nfs/dbraw/zinc/38/81/73/532388173.db2.gz ZONASQDNDMFLNR-CYBMUJFWSA-N 1 0 395.253 2.411 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000677976171 532388635 /nfs/dbraw/zinc/38/86/35/532388635.db2.gz YPKRQRZDRAEEKO-PBFPGSCMSA-N 1 0 394.313 2.321 20 0 GEADRO C[NH+](C)CCCCC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000677973858 532388725 /nfs/dbraw/zinc/38/87/25/532388725.db2.gz JDHSFHCXKQJLII-INIZCTEOSA-N 1 0 382.302 2.181 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000677976170 532388885 /nfs/dbraw/zinc/38/88/85/532388885.db2.gz YPKRQRZDRAEEKO-IIYDPXPESA-N 1 0 394.313 2.321 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000590859767 532389941 /nfs/dbraw/zinc/38/99/41/532389941.db2.gz QAGFYTMSWZHSIG-GJZGRUSLSA-N 1 0 381.318 2.421 20 0 GEADRO CN(C)S(=O)(=O)n1ccnc1CNCCOc1ccc(Cl)c(Cl)c1 ZINC000294915752 532390413 /nfs/dbraw/zinc/39/04/13/532390413.db2.gz YIVKJOWWORHAQW-UHFFFAOYSA-N 1 0 393.296 2.013 20 0 GEADRO Cn1ncc(Br)c1C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000294924796 532390662 /nfs/dbraw/zinc/39/06/62/532390662.db2.gz UCNZZZZSCDCPMF-UHFFFAOYSA-N 1 0 378.274 2.498 20 0 GEADRO CC(C)(CO)[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000678268950 532391265 /nfs/dbraw/zinc/39/12/65/532391265.db2.gz JHHYDXIHKPQPJN-UHFFFAOYSA-N 1 0 399.329 2.499 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Br)nn1C ZINC000192175250 532391488 /nfs/dbraw/zinc/39/14/88/532391488.db2.gz BLCGYDUAOKTYQL-JSGCOSHPSA-N 1 0 377.286 2.433 20 0 GEADRO CCC1(CC)CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCS1(=O)=O ZINC000464184242 532392455 /nfs/dbraw/zinc/39/24/55/532392455.db2.gz JQSYRMMWOHIGHS-OAHLLOKOSA-N 1 0 375.579 2.352 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000558536016 532393701 /nfs/dbraw/zinc/39/37/01/532393701.db2.gz QMTRTARHHBMYHG-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO O=C(NCCc1ccc(F)c(Br)c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000372524604 532394979 /nfs/dbraw/zinc/39/49/79/532394979.db2.gz RXUSDTKTJIZESU-YHWZYXNKSA-N 1 0 383.261 2.062 20 0 GEADRO CCC1(CC)C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CCS1 ZINC000464568355 532398839 /nfs/dbraw/zinc/39/88/39/532398839.db2.gz IRAZLXJOVBLGDQ-UHFFFAOYSA-N 1 0 385.555 2.270 20 0 GEADRO Cn1nnnc1CC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000678498304 532396076 /nfs/dbraw/zinc/39/60/76/532396076.db2.gz HGZQICBYBNFMQH-UHFFFAOYSA-N 1 0 379.287 2.428 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCc1nnnn1C ZINC000678498874 532396452 /nfs/dbraw/zinc/39/64/52/532396452.db2.gz NDHDPBDJXKIKGI-UHFFFAOYSA-N 1 0 390.289 2.107 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1CCC12CCOCC2)c1ccc(F)cc1Cl ZINC000558698409 532397347 /nfs/dbraw/zinc/39/73/47/532397347.db2.gz RNSMHFYDJCZNFZ-HNNXBMFYSA-N 1 0 376.881 2.306 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000516957801 532399672 /nfs/dbraw/zinc/39/96/72/532399672.db2.gz DAOSUJFLNJNNHU-CYBMUJFWSA-N 1 0 383.290 2.159 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CCOC1 ZINC000464604001 532400512 /nfs/dbraw/zinc/40/05/12/532400512.db2.gz QGJYIXHLMPVBTP-DIFFPNOSSA-N 1 0 389.279 2.482 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000295061012 532400569 /nfs/dbraw/zinc/40/05/69/532400569.db2.gz OGGQNUWKKVWMKS-CQSZACIVSA-N 1 0 389.315 2.142 20 0 GEADRO COC(=O)c1cc(NC(=O)c2ccn(CC[NH+](C)C)n2)ccc1Br ZINC000516978863 532400840 /nfs/dbraw/zinc/40/08/40/532400840.db2.gz JASPCCBIRABAGV-UHFFFAOYSA-N 1 0 395.257 2.246 20 0 GEADRO CCC[NH+]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000591201694 532402624 /nfs/dbraw/zinc/40/26/24/532402624.db2.gz XXFSKMFJKWVAFX-MRXNPFEDSA-N 1 0 381.929 2.409 20 0 GEADRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CC1 ZINC000559443840 532402937 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COc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)ccc1Br ZINC000626582594 532441072 /nfs/dbraw/zinc/44/10/72/532441072.db2.gz GMQXXEZGQVILBL-GFCCVEGCSA-N 1 0 385.302 2.375 20 0 GEADRO O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000427935405 532437603 /nfs/dbraw/zinc/43/76/03/532437603.db2.gz XCJONGISVVIHNL-UHFFFAOYSA-N 1 0 382.379 2.489 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000650153111 532437831 /nfs/dbraw/zinc/43/78/31/532437831.db2.gz OYJRKLPBVSYNGW-UTUOFQBUSA-N 1 0 396.289 2.235 20 0 GEADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000427945719 532437840 /nfs/dbraw/zinc/43/78/40/532437840.db2.gz LHDOYGPMIUYAPG-ZDUSSCGKSA-N 1 0 389.587 2.249 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000650153108 532438767 /nfs/dbraw/zinc/43/87/67/532438767.db2.gz OYJRKLPBVSYNGW-IJLUTSLNSA-N 1 0 396.289 2.235 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000467159414 532438883 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C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000373316568 532442496 /nfs/dbraw/zinc/44/24/96/532442496.db2.gz FYJOUOVIHXZZBW-CYBMUJFWSA-N 1 0 389.924 2.268 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000626838984 532442592 /nfs/dbraw/zinc/44/25/92/532442592.db2.gz WXQUQBFNBNMRBL-UWVGGRQHSA-N 1 0 386.315 2.353 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)CC1 ZINC000626835438 532442614 /nfs/dbraw/zinc/44/26/14/532442614.db2.gz PPSZTURTEKKXMT-UHFFFAOYSA-N 1 0 392.297 2.167 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)C1 ZINC000518610376 532443291 /nfs/dbraw/zinc/44/32/91/532443291.db2.gz AUIRJTDHTUGWLC-ZIAGYGMSSA-N 1 0 385.302 2.362 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000626846010 532443323 /nfs/dbraw/zinc/44/33/23/532443323.db2.gz LFEJHJGMJHFPNE-AWEZNQCLSA-N 1 0 398.301 2.243 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000626847732 532443718 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COCC[NH+]1CCC(Nc2cnc(N3CCOCC3)c(Br)c2)CC1 ZINC000467441082 532446666 /nfs/dbraw/zinc/44/66/66/532446666.db2.gz BBNLYUHFLKGPDZ-UHFFFAOYSA-N 1 0 399.333 2.203 20 0 GEADRO Ic1cccnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282162983 532446779 /nfs/dbraw/zinc/44/67/79/532446779.db2.gz DEUJWOBFZUTNCT-CYBMUJFWSA-N 1 0 387.265 2.235 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000626965904 532447394 /nfs/dbraw/zinc/44/73/94/532447394.db2.gz ODOBWWDINLANBQ-PWSUYJOCSA-N 1 0 386.290 2.406 20 0 GEADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269249 532448378 /nfs/dbraw/zinc/44/83/78/532448378.db2.gz PEAFAUKHIWMMPP-WCXIOVBPSA-N 1 0 379.298 2.220 20 0 GEADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269246 532448454 /nfs/dbraw/zinc/44/84/54/532448454.db2.gz PEAFAUKHIWMMPP-LTIDMASMSA-N 1 0 379.298 2.220 20 0 GEADRO COc1ccc(CCC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(Br)c1 ZINC000627272476 532448608 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C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCn1cc(Br)ccc1=O ZINC000561755756 532451248 /nfs/dbraw/zinc/45/12/48/532451248.db2.gz UMZLASNHJYYXIF-UKRRQHHQSA-N 1 0 382.302 2.086 20 0 GEADRO C[NH+](C)CCCN(C(=O)CCc1cc(Cl)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000467638822 532451547 /nfs/dbraw/zinc/45/15/47/532451547.db2.gz GGKPSOIXOUVQTI-AWEZNQCLSA-N 1 0 392.974 2.302 20 0 GEADRO CC[NH+](CC)CCNC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000428666618 532457369 /nfs/dbraw/zinc/45/73/69/532457369.db2.gz INVRSUZAGQOFCO-OAHLLOKOSA-N 1 0 386.334 2.241 20 0 GEADRO CC[C@@]1(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CCC[NH2+]1 ZINC000467703649 532453226 /nfs/dbraw/zinc/45/32/26/532453226.db2.gz XACAZRPORGADAL-KRWDZBQOSA-N 1 0 382.302 2.217 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000428431312 532453497 /nfs/dbraw/zinc/45/34/97/532453497.db2.gz LPINGANPNTWPGN-SECBINFHSA-N 1 0 394.191 2.227 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)C1 ZINC000428435079 532453685 /nfs/dbraw/zinc/45/36/85/532453685.db2.gz YNVKEQDMWPTSBW-CQSZACIVSA-N 1 0 385.555 2.183 20 0 GEADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)[nH]1 ZINC000428541721 532454179 /nfs/dbraw/zinc/45/41/79/532454179.db2.gz CIMSGNIKNTXYAZ-AWEZNQCLSA-N 1 0 394.313 2.420 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000194769287 532456032 /nfs/dbraw/zinc/45/60/32/532456032.db2.gz TVCQTSWKRHILIG-LBPRGKRZSA-N 1 0 394.324 2.002 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000519400472 532462565 /nfs/dbraw/zinc/46/25/65/532462565.db2.gz DUVQVMSUOWIBRY-OAHLLOKOSA-N 1 0 389.315 2.222 20 0 GEADRO Cn1cc(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000194830594 532458809 /nfs/dbraw/zinc/45/88/09/532458809.db2.gz TVFLUHSFVBEHAC-UHFFFAOYSA-N 1 0 379.302 2.316 20 0 GEADRO [NH3+]CCc1nc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cs1 ZINC000194813594 532458980 /nfs/dbraw/zinc/45/89/80/532458980.db2.gz DPWDWFKEVCPMAJ-GFCCVEGCSA-N 1 0 378.885 2.223 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000428729740 532458925 /nfs/dbraw/zinc/45/89/25/532458925.db2.gz IJWCNJUONFXVPR-QWHCGFSZSA-N 1 0 382.302 2.025 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](OC)C1CC1 ZINC000295582878 532460577 /nfs/dbraw/zinc/46/05/77/532460577.db2.gz BOZCROGYAXGNSS-BDJLRTHQSA-N 1 0 385.302 2.477 20 0 GEADRO CC(C)(C)c1nc2ccc(S(=O)(=O)NC[C@@H]3C[NH2+]CCCO3)cc2s1 ZINC000519365217 532461019 /nfs/dbraw/zinc/46/10/19/532461019.db2.gz CCAXYNVWPYEAKT-LBPRGKRZSA-N 1 0 383.539 2.251 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000519365521 532461231 /nfs/dbraw/zinc/46/12/31/532461231.db2.gz PTKOJNYRQFXILI-UHFFFAOYSA-N 1 0 389.924 2.115 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000651306094 532463586 /nfs/dbraw/zinc/46/35/86/532463586.db2.gz QMEYXDPJMRGUMU-NWDGAFQWSA-N 1 0 383.315 2.489 20 0 GEADRO CC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000282397335 532463623 /nfs/dbraw/zinc/46/36/23/532463623.db2.gz RKRNJJXFAIAZJG-MCMMXHMISA-N 1 0 378.947 2.200 20 0 GEADRO C[C@@H]1C[C@H](CNS(=O)(=O)c2c(Cl)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000373723330 532464864 /nfs/dbraw/zinc/46/48/64/532464864.db2.gz DLINSGCXFCZQAH-UKRRQHHQSA-N 1 0 382.917 2.262 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cnn2cc(Br)cnc12 ZINC000468474730 532465023 /nfs/dbraw/zinc/46/50/23/532465023.db2.gz IRKZNQVUPMDGQC-ZDUSSCGKSA-N 1 0 380.290 2.342 20 0 GEADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1c(Cl)cnn1C ZINC000373718979 532465411 /nfs/dbraw/zinc/46/54/11/532465411.db2.gz JWGDPUBJAMOSAV-UHFFFAOYSA-N 1 0 383.905 2.006 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)NC(C)(C)c2ccc(Br)cc2)CC1=O ZINC000468440688 532465514 /nfs/dbraw/zinc/46/55/14/532465514.db2.gz YMNYSUBJVLODOB-CYBMUJFWSA-N 1 0 396.329 2.211 20 0 GEADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1CCCCCC1 ZINC000562462371 532466130 /nfs/dbraw/zinc/46/61/30/532466130.db2.gz YOVVRLOTMQFFSP-UHFFFAOYSA-N 1 0 388.555 2.023 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000519400434 532463018 /nfs/dbraw/zinc/46/30/18/532463018.db2.gz CIOIGDLOLIZCSW-BDAKNGLRSA-N 1 0 381.782 2.462 20 0 GEADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000628427928 532467882 /nfs/dbraw/zinc/46/78/82/532467882.db2.gz XXRFYZFGZCVGLJ-QWHCGFSZSA-N 1 0 377.304 2.298 20 0 GEADRO [NH3+]C1CCC(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000429000220 532467955 /nfs/dbraw/zinc/46/79/55/532467955.db2.gz VUYHIPFMFBWLRI-UHFFFAOYSA-N 1 0 383.290 2.347 20 0 GEADRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000628426579 532467972 /nfs/dbraw/zinc/46/79/72/532467972.db2.gz XPIRTJHTXBKWEQ-JOTVFPGJSA-N 1 0 377.080 2.147 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000428998115 532468490 /nfs/dbraw/zinc/46/84/90/532468490.db2.gz UDEPTIDWEFHRBF-SNVBAGLBSA-N 1 0 384.221 2.121 20 0 GEADRO CC(C)(CO)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000519561167 532470043 /nfs/dbraw/zinc/47/00/43/532470043.db2.gz VPZXDLJXHYRXND-UHFFFAOYSA-N 1 0 399.329 2.427 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000429051315 532470060 /nfs/dbraw/zinc/47/00/60/532470060.db2.gz WXIGEIZEYNLZEZ-ZANVPECISA-N 1 0 387.267 2.052 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1[nH]nc2ccc(I)cc21 ZINC000429218782 532470804 /nfs/dbraw/zinc/47/08/04/532470804.db2.gz WNFXMVVVFCMGIE-SNVBAGLBSA-N 1 0 398.248 2.287 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000429221956 532471310 /nfs/dbraw/zinc/47/13/10/532471310.db2.gz TXYLZBWJMYWMTM-OLZOCXBDSA-N 1 0 382.302 2.073 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CSc2ccc(C(F)(F)F)cn2)C1 ZINC000684174842 532471863 /nfs/dbraw/zinc/47/18/63/532471863.db2.gz MQTGPBAOUTYKJA-OAHLLOKOSA-N 1 0 377.432 2.108 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)c1[nH]nc2ccc(I)cc21)C1CC1 ZINC000429234098 532471992 /nfs/dbraw/zinc/47/19/92/532471992.db2.gz XVLBZVXQKUOMOM-AWEZNQCLSA-N 1 0 384.221 2.025 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1ccccc1Br ZINC000519652350 532472031 /nfs/dbraw/zinc/47/20/31/532472031.db2.gz ICUUSBQTBOCWHY-HNNXBMFYSA-N 1 0 396.329 2.302 20 0 GEADRO Cc1nc[nH]c1CC(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628683712 532472029 /nfs/dbraw/zinc/47/20/29/532472029.db2.gz WZBOQJUAORIYON-KRWDZBQOSA-N 1 0 378.270 2.059 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429340742 532473348 /nfs/dbraw/zinc/47/33/48/532473348.db2.gz WFYAABRUJOLKCX-CQSZACIVSA-N 1 0 385.306 2.450 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000683914317 532467408 /nfs/dbraw/zinc/46/74/08/532467408.db2.gz VKAHJDARTIJBGZ-KRWDZBQOSA-N 1 0 381.314 2.396 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1nscc1Br ZINC000651536300 532473411 /nfs/dbraw/zinc/47/34/11/532473411.db2.gz RDQMJJXEJHFCQZ-CHWSQXEVSA-N 1 0 388.331 2.403 20 0 GEADRO CCCN(C(=O)CNC(=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000236791933 532496675 /nfs/dbraw/zinc/49/66/75/532496675.db2.gz SOYVJQMHXQGHAS-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000429447453 532476919 /nfs/dbraw/zinc/47/69/19/532476919.db2.gz HQHTZUINRLQIKQ-SNVBAGLBSA-N 1 0 385.864 2.424 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373887466 532477318 /nfs/dbraw/zinc/47/73/18/532477318.db2.gz ZDODUGBAONCASQ-ZANVPECISA-N 1 0 379.707 2.475 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000373921416 532478541 /nfs/dbraw/zinc/47/85/41/532478541.db2.gz MKJKCNSHJNRWQU-HNNXBMFYSA-N 1 0 380.286 2.474 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)COc1cccc(I)c1 ZINC000468865173 532479593 /nfs/dbraw/zinc/47/95/93/532479593.db2.gz GHZMWUKDOJSLTA-UHFFFAOYSA-N 1 0 388.249 2.224 20 0 GEADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000195586550 532479728 /nfs/dbraw/zinc/47/97/28/532479728.db2.gz RFRKRVITCXRPPW-ZDUSSCGKSA-N 1 0 377.913 2.477 20 0 GEADRO CC1CC[NH+](CCNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000195585338 532479747 /nfs/dbraw/zinc/47/97/47/532479747.db2.gz BVCYXKXUWYAAAR-UHFFFAOYSA-N 1 0 377.913 2.477 20 0 GEADRO O=S(=O)(CC[NH2+]CC1(CCO)CCC1)c1cccc(Br)c1 ZINC000519822994 532480643 /nfs/dbraw/zinc/48/06/43/532480643.db2.gz GXMBQVKNZSUMOB-UHFFFAOYSA-N 1 0 376.316 2.365 20 0 GEADRO O=C(CCc1nc2cc(Br)ccc2s1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629172957 532481491 /nfs/dbraw/zinc/48/14/91/532481491.db2.gz KFWIZMOVLKLAGG-GFCCVEGCSA-N 1 0 398.326 2.174 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429597676 532481833 /nfs/dbraw/zinc/48/18/33/532481833.db2.gz NHAALIKRKGVMGR-LSDHHAIUSA-N 1 0 382.302 2.057 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000429629204 532481868 /nfs/dbraw/zinc/48/18/68/532481868.db2.gz ULHUPIWAFZRPPI-SNVBAGLBSA-N 1 0 386.237 2.415 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000651621822 532482276 /nfs/dbraw/zinc/48/22/76/532482276.db2.gz DHDVTSMFWKTFKU-SUMWQHHRSA-N 1 0 389.924 2.126 20 0 GEADRO O=C(CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000562803089 532483290 /nfs/dbraw/zinc/48/32/90/532483290.db2.gz HGXYJAVQFNFFRP-OAHLLOKOSA-N 1 0 395.301 2.314 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000684823298 532484032 /nfs/dbraw/zinc/48/40/32/532484032.db2.gz RPEKBCGZYKBZDB-OAHLLOKOSA-N 1 0 382.302 2.122 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429948289 532485218 /nfs/dbraw/zinc/48/52/18/532485218.db2.gz PMRSLYRXVVPMLF-RISCZKNCSA-N 1 0 378.274 2.797 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000520113485 532485350 /nfs/dbraw/zinc/48/53/50/532485350.db2.gz KXHKYRFHMIZYTG-VXGBXAGGSA-N 1 0 378.300 2.373 20 0 GEADRO COCC[C@@]1(C(=O)NC[C@H](C)Oc2cccc(Br)c2)CC[NH2+]C1 ZINC000429996306 532485929 /nfs/dbraw/zinc/48/59/29/532485929.db2.gz ZTKIOTDVPOCTRN-GUYCJALGSA-N 1 0 385.302 2.349 20 0 GEADRO O=C(COC1C[NH2+]C1)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000429988268 532486227 /nfs/dbraw/zinc/48/62/27/532486227.db2.gz WYOVVIOSQYXZFQ-UHFFFAOYSA-N 1 0 386.279 2.159 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000429957677 532486255 /nfs/dbraw/zinc/48/62/55/532486255.db2.gz HLLZIBRBULLQIA-MRXNPFEDSA-N 1 0 397.313 2.340 20 0 GEADRO O=C(CN1CCCC[C@H](CO)C1)Nc1ccccc1I ZINC000374049350 532486535 /nfs/dbraw/zinc/48/65/35/532486535.db2.gz JOYQPFSNSYHTNG-LBPRGKRZSA-N 1 0 388.249 2.324 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3I)C[C@H]21 ZINC000228476654 532489361 /nfs/dbraw/zinc/48/93/61/532489361.db2.gz VYFVYNMYOXHKHH-YRGRVCCFSA-N 1 0 399.276 2.289 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000651712159 532489896 /nfs/dbraw/zinc/48/98/96/532489896.db2.gz YFKTWQPSZUVYQP-ZANVPECISA-N 1 0 386.677 2.204 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)CCOCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000520661917 532497164 /nfs/dbraw/zinc/49/71/64/532497164.db2.gz JXBHXKGWKODAOM-ZFWWWQNUSA-N 1 0 380.432 2.148 20 0 GEADRO CCc1ccc(-c2csc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)n2)s1 ZINC000520415642 532491456 /nfs/dbraw/zinc/49/14/56/532491456.db2.gz UMBWRVWNDUUAGU-LLVKDONJSA-N 1 0 378.523 2.440 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCC(=O)Nc3ccc(Br)cc3)C[C@@H]21 ZINC000562991112 532491964 /nfs/dbraw/zinc/49/19/64/532491964.db2.gz IHSXXDKYHAPSFU-DOMZBBRYSA-N 1 0 395.301 2.123 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000236790277 532497242 /nfs/dbraw/zinc/49/72/42/532497242.db2.gz HZNGIAJQFZCEKB-LBPRGKRZSA-N 1 0 382.302 2.436 20 0 GEADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430156352 532492343 /nfs/dbraw/zinc/49/23/43/532492343.db2.gz ADAQGVCIQYXJRE-AWEZNQCLSA-N 1 0 392.297 2.491 20 0 GEADRO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)CN1CC[NH+](C)CC1 ZINC000562993884 532492297 /nfs/dbraw/zinc/49/22/97/532492297.db2.gz QRQAVHIRVQYPIO-HOCLYGCPSA-N 1 0 390.355 2.206 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000236664844 532492386 /nfs/dbraw/zinc/49/23/86/532492386.db2.gz WIZGKXWBFDQGHU-UHFFFAOYSA-N 1 0 394.313 2.170 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[N@H+](C)CCOCCO ZINC000282743267 532492554 /nfs/dbraw/zinc/49/25/54/532492554.db2.gz NIXNYCHGDGLTDA-UHFFFAOYSA-N 1 0 376.291 2.305 20 0 GEADRO O=C(CC1CC[NH2+]CC1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000236665457 532492646 /nfs/dbraw/zinc/49/26/46/532492646.db2.gz VGVKOLKVTSLFKP-UHFFFAOYSA-N 1 0 394.313 2.123 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000236680381 532492678 /nfs/dbraw/zinc/49/26/78/532492678.db2.gz GEIXTTBXWMNNMR-GFCCVEGCSA-N 1 0 387.933 2.146 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@](C)(C[NH3+])C(C)C)c1 ZINC000236671632 532492909 /nfs/dbraw/zinc/49/29/09/532492909.db2.gz UKWPNUZHSRBFJP-KRWDZBQOSA-N 1 0 389.949 2.472 20 0 GEADRO CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000236712372 532493913 /nfs/dbraw/zinc/49/39/13/532493913.db2.gz OTILNPVFHUGMBO-OAHLLOKOSA-N 1 0 382.302 2.251 20 0 GEADRO OC[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1cccnc1 ZINC000520452832 532494217 /nfs/dbraw/zinc/49/42/17/532494217.db2.gz HFUOKFPDLZQCHO-AWEZNQCLSA-N 1 0 379.254 2.481 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)Nc1ccccc1Br ZINC000374228566 532494249 /nfs/dbraw/zinc/49/42/49/532494249.db2.gz HROVISONDCRUAJ-TZMCWYRMSA-N 1 0 382.302 2.229 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000563031878 532495353 /nfs/dbraw/zinc/49/53/53/532495353.db2.gz XNNMMEAQTHMLGJ-SNVBAGLBSA-N 1 0 375.803 2.338 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000430281076 532496193 /nfs/dbraw/zinc/49/61/93/532496193.db2.gz RFKJGCBVUNQWPI-UHFFFAOYSA-N 1 0 377.229 2.304 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236790318 532496380 /nfs/dbraw/zinc/49/63/80/532496380.db2.gz OUGFFIREWMLPEZ-LBPRGKRZSA-N 1 0 382.302 2.436 20 0 GEADRO O=C(Nc1nc2ccsc2s1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000562601430 532473882 /nfs/dbraw/zinc/47/38/82/532473882.db2.gz YQJPBDDNYDEVLA-LLVKDONJSA-N 1 0 379.511 2.176 20 0 GEADRO COC(=O)CCNC(=O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429397430 532474625 /nfs/dbraw/zinc/47/46/25/532474625.db2.gz ZMFXWBFNKHNQDQ-INIZCTEOSA-N 1 0 383.286 2.341 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)c(F)c1 ZINC000651551059 532474619 /nfs/dbraw/zinc/47/46/19/532474619.db2.gz MNEATQUHOHQYNS-UHFFFAOYSA-N 1 0 376.881 2.402 20 0 GEADRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429412018 532474777 /nfs/dbraw/zinc/47/47/77/532474777.db2.gz XQRCYUWAZMNHBG-BONVTDFDSA-N 1 0 383.286 2.340 20 0 GEADRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429412017 532475193 /nfs/dbraw/zinc/47/51/93/532475193.db2.gz XQRCYUWAZMNHBG-BMIGLBTASA-N 1 0 383.286 2.340 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000651553276 532475629 /nfs/dbraw/zinc/47/56/29/532475629.db2.gz MEWQRFXCANZQNK-SFHVURJKSA-N 1 0 385.961 2.272 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000562644542 532476260 /nfs/dbraw/zinc/47/62/60/532476260.db2.gz SXTZAVOUAKMZRB-CYBMUJFWSA-N 1 0 392.301 2.490 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000629790545 532502516 /nfs/dbraw/zinc/50/25/16/532502516.db2.gz VIBPYZBACAWGPP-LBPRGKRZSA-N 1 0 390.311 2.207 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000236971443 532502686 /nfs/dbraw/zinc/50/26/86/532502686.db2.gz DGNUOVXJCUYKCW-ZDUSSCGKSA-N 1 0 387.933 2.100 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)CCn2cc(Br)cn2)CC1 ZINC000593922048 532502678 /nfs/dbraw/zinc/50/26/78/532502678.db2.gz PCUVKVVTYRYBHD-UHFFFAOYSA-N 1 0 387.322 2.041 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1I ZINC000593920665 532502768 /nfs/dbraw/zinc/50/27/68/532502768.db2.gz NHQALIYSLDXQGB-MNOVXSKESA-N 1 0 394.278 2.100 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1I ZINC000593920662 532503132 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O=S(=O)(c1cccc(Br)c1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000431037698 532504566 /nfs/dbraw/zinc/50/45/66/532504566.db2.gz OZQBOYYWZOHGJG-UHFFFAOYSA-N 1 0 377.279 2.352 20 0 GEADRO COc1cc(Br)c(CNC(=O)NCCC2(C[NH3+])CC2)cc1OC ZINC000652145181 532504601 /nfs/dbraw/zinc/50/46/01/532504601.db2.gz GITYGDYXTVYYFI-UHFFFAOYSA-N 1 0 386.290 2.395 20 0 GEADRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000431042665 532504692 /nfs/dbraw/zinc/50/46/92/532504692.db2.gz JTYXGCOSAIZBNA-UHFFFAOYSA-N 1 0 377.304 2.180 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000521063941 532504915 /nfs/dbraw/zinc/50/49/15/532504915.db2.gz OUQYJNGPEMJGMO-CQSZACIVSA-N 1 0 378.929 2.368 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237285491 532505231 /nfs/dbraw/zinc/50/52/31/532505231.db2.gz IAVGPSXDQNXIQZ-BXUZGUMPSA-N 1 0 390.336 2.405 20 0 GEADRO CS[C@H]1CN(Cc2ccc(OCC(F)(F)F)nn2)C[C@@H]1[NH+]1CCCC1 ZINC000593969516 532505303 /nfs/dbraw/zinc/50/53/03/532505303.db2.gz BWJFUIABPRJHRP-KBPBESRZSA-N 1 0 376.448 2.429 20 0 GEADRO CN(Cc1c[nH]cn1)C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000563448156 532505548 /nfs/dbraw/zinc/50/55/48/532505548.db2.gz QRKLYCAGRMVWLG-UHFFFAOYSA-N 1 0 399.676 2.443 20 0 GEADRO [NH3+]CC1(CCNC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000652236449 532506361 /nfs/dbraw/zinc/50/63/61/532506361.db2.gz OBOGZBBRHJIBRE-CQSZACIVSA-N 1 0 384.318 2.028 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000594456178 532506465 /nfs/dbraw/zinc/50/64/65/532506465.db2.gz KVSSKHBXRUQHBV-UHFFFAOYSA-N 1 0 388.917 2.202 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000469613288 532507126 /nfs/dbraw/zinc/50/71/26/532507126.db2.gz LBQPZIQONBOFRA-CHWSQXEVSA-N 1 0 380.286 2.439 20 0 GEADRO [NH3+]CC1(CCNC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000652236448 532507189 /nfs/dbraw/zinc/50/71/89/532507189.db2.gz OBOGZBBRHJIBRE-AWEZNQCLSA-N 1 0 384.318 2.028 20 0 GEADRO [NH3+]CC1(CCNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000652242621 532507317 /nfs/dbraw/zinc/50/73/17/532507317.db2.gz AXZJMAAQPMWDAL-NSHDSACASA-N 1 0 376.284 2.161 20 0 GEADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000237320196 532507460 /nfs/dbraw/zinc/50/74/60/532507460.db2.gz HZOVVWQLJAFZHJ-MRXNPFEDSA-N 1 0 386.945 2.420 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374503655 532507949 /nfs/dbraw/zinc/50/79/49/532507949.db2.gz IKOVGECUMZWCQU-UHFFFAOYSA-N 1 0 394.313 2.171 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000652374827 532507998 /nfs/dbraw/zinc/50/79/98/532507998.db2.gz CFNMCCPHJALRME-OGHNNQOOSA-N 1 0 388.917 2.256 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3Cl)C2)C1 ZINC000652375029 532508137 /nfs/dbraw/zinc/50/81/37/532508137.db2.gz HCYVVEGZESIZCS-KYOSRNDESA-N 1 0 376.881 2.386 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cc(F)cc(Cl)c3)C2)C1 ZINC000652373848 532508737 /nfs/dbraw/zinc/50/87/37/532508737.db2.gz BLEHDBYJZXKVCA-SGIREYDYSA-N 1 0 376.881 2.386 20 0 GEADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1c(Cl)cc(Cl)cc1Cl ZINC000237698810 532508972 /nfs/dbraw/zinc/50/89/72/532508972.db2.gz LMJHCOQTZGCJPO-UHFFFAOYSA-N 1 0 386.732 2.220 20 0 GEADRO CN1C(=O)C[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000521244731 532509032 /nfs/dbraw/zinc/50/90/32/532509032.db2.gz HZIZOUZXBGFJIB-GDBMZVCRSA-N 1 0 388.892 2.165 20 0 GEADRO Cc1ccc(CCCC(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)s1 ZINC000237700774 532509102 /nfs/dbraw/zinc/50/91/02/532509102.db2.gz JWDCGMLELVINRD-UHFFFAOYSA-N 1 0 381.523 2.255 20 0 GEADRO C[C@@H]([NH3+])CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000563811689 532509290 /nfs/dbraw/zinc/50/92/90/532509290.db2.gz LBEQDZOFSHOFLY-SNVBAGLBSA-N 1 0 385.839 2.012 20 0 GEADRO O=C(CCc1ccc(Cl)s1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237663129 532509440 /nfs/dbraw/zinc/50/94/40/532509440.db2.gz DKDOHLBCIPDNNA-HIFRSBDPSA-N 1 0 383.945 2.441 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000652379694 532509566 /nfs/dbraw/zinc/50/95/66/532509566.db2.gz FDEVLMMENVXKNA-BXKDBHETSA-N 1 0 386.823 2.343 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)C[C@H]1C[NH3+] ZINC000652379914 532509602 /nfs/dbraw/zinc/50/96/02/532509602.db2.gz VNGUNFAOMVPILK-MWLCHTKSSA-N 1 0 397.722 2.087 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000652383759 532509676 /nfs/dbraw/zinc/50/96/76/532509676.db2.gz GINWCJAWYJSFPY-VCTAVGKDSA-N 1 0 378.416 2.153 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CN1C1CC1 ZINC000563799645 532509768 /nfs/dbraw/zinc/50/97/68/532509768.db2.gz XKYNXHUOLRUIHY-JQWIXIFHSA-N 1 0 383.901 2.128 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000652384432 532510101 /nfs/dbraw/zinc/51/01/01/532510101.db2.gz ZXTKCDUFLRZRKE-DAXOMENPSA-N 1 0 381.523 2.346 20 0 GEADRO O=C(CCc1ccc(Cl)s1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000237663187 532510248 /nfs/dbraw/zinc/51/02/48/532510248.db2.gz DKDOHLBCIPDNNA-UKRRQHHQSA-N 1 0 383.945 2.441 20 0 GEADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1cccc(I)c1 ZINC000469724335 532510212 /nfs/dbraw/zinc/51/02/12/532510212.db2.gz FGEQIRHLIYEUNC-NWDGAFQWSA-N 1 0 388.249 2.221 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000564211633 532519099 /nfs/dbraw/zinc/51/90/99/532519099.db2.gz UVVWNYXNDHSGBT-OAHLLOKOSA-N 1 0 378.416 2.478 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCC(=O)c1ccc(I)cc1 ZINC000563811814 532510550 /nfs/dbraw/zinc/51/05/50/532510550.db2.gz LSTMYWGNTYANGK-WDEREUQCSA-N 1 0 388.249 2.496 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652390262 532510538 /nfs/dbraw/zinc/51/05/38/532510538.db2.gz FXODDDWXWJDBRH-LSDHHAIUSA-N 1 0 397.313 2.278 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000594484567 532510853 /nfs/dbraw/zinc/51/08/53/532510853.db2.gz VBJNEVSGTMPSDO-CVEARBPZSA-N 1 0 386.901 2.422 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594483664 532511339 /nfs/dbraw/zinc/51/13/39/532511339.db2.gz NOINMCILBFJJST-ZIAGYGMSSA-N 1 0 386.901 2.422 20 0 GEADRO O=C(NCc1cccs1)c1cc(NC(=O)[C@@H]2C[NH2+]CCO2)ccc1Cl ZINC000237757196 532511690 /nfs/dbraw/zinc/51/16/90/532511690.db2.gz PDAOFNBWBDKYHS-HNNXBMFYSA-N 1 0 379.869 2.258 20 0 GEADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CCN2C1=O ZINC000563899510 532512330 /nfs/dbraw/zinc/51/23/30/532512330.db2.gz YPKMPXATBVBTDY-MWLCHTKSSA-N 1 0 376.766 2.135 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(I)o3)C[C@H]21 ZINC000374593319 532512533 /nfs/dbraw/zinc/51/25/33/532512533.db2.gz IZLQZUCHYBKRCK-DMIISJBSSA-N 1 0 386.233 2.483 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000237934229 532512521 /nfs/dbraw/zinc/51/25/21/532512521.db2.gz AJKGBBJVFXUPNK-LBPRGKRZSA-N 1 0 388.295 2.076 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000237918514 532512582 /nfs/dbraw/zinc/51/25/82/532512582.db2.gz ULIGSBXPLMPTGO-LLVKDONJSA-N 1 0 394.269 2.122 20 0 GEADRO [NH3+]C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)C1CCCCC1 ZINC000237915130 532513259 /nfs/dbraw/zinc/51/32/59/532513259.db2.gz SNEBJHXVNUKIPF-AWEZNQCLSA-N 1 0 385.555 2.170 20 0 GEADRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ncc(Br)cn1 ZINC000563930415 532513562 /nfs/dbraw/zinc/51/35/62/532513562.db2.gz MNVFKPGOBBZAHJ-QMTHXVAHSA-N 1 0 388.335 2.037 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CC[C@@H]1[NH3+] ZINC000594529772 532513587 /nfs/dbraw/zinc/51/35/87/532513587.db2.gz GBMCURLRNVAUHR-SKDRFNHKSA-N 1 0 378.853 2.014 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1F ZINC000594532330 532513704 /nfs/dbraw/zinc/51/37/04/532513704.db2.gz OACOIJGRTBSIRL-XYPYZODXSA-N 1 0 392.880 2.309 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CC[C@@H]1[NH3+] ZINC000594529769 532513862 /nfs/dbraw/zinc/51/38/62/532513862.db2.gz GBMCURLRNVAUHR-CABZTGNLSA-N 1 0 378.853 2.014 20 0 GEADRO O=C(NC[C@@H]1CCCN(Cc2cc(O)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000469850885 532514018 /nfs/dbraw/zinc/51/40/18/532514018.db2.gz GHFBKWVZDCGTIA-SUMWQHHRSA-N 1 0 396.329 2.235 20 0 GEADRO O=C(NC[C@H]1CCCN(Cc2cc(O)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000469850882 532514225 /nfs/dbraw/zinc/51/42/25/532514225.db2.gz GHFBKWVZDCGTIA-CXAGYDPISA-N 1 0 396.329 2.235 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1)C1CC1 ZINC000563944049 532514598 /nfs/dbraw/zinc/51/45/98/532514598.db2.gz RMUIPSQKYHJAEZ-NSHDSACASA-N 1 0 394.191 2.260 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2Cl)C1 ZINC000564089552 532515209 /nfs/dbraw/zinc/51/52/09/532515209.db2.gz YYWZKHGVGLXBQY-HNNXBMFYSA-N 1 0 390.933 2.470 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000521610910 532516224 /nfs/dbraw/zinc/51/62/24/532516224.db2.gz HKWOJCWYRJRDIX-COXVUDFISA-N 1 0 380.330 2.305 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2ccccc2I)nn1)[C@@H]1CCCO1 ZINC000594650911 532516452 /nfs/dbraw/zinc/51/64/52/532516452.db2.gz AYBPPGALWAXQOE-KBPBESRZSA-N 1 0 384.221 2.110 20 0 GEADRO Ic1ccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000594656959 532516639 /nfs/dbraw/zinc/51/66/39/532516639.db2.gz LDFQWWURNGPKLH-CYBMUJFWSA-N 1 0 382.249 2.473 20 0 GEADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000296384265 532517552 /nfs/dbraw/zinc/51/75/52/532517552.db2.gz JTDAZIUEYPTVJT-DIFFPNOSSA-N 1 0 384.498 2.458 20 0 GEADRO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@H]2CCNC(=O)CC2)c1 ZINC000296396204 532518454 /nfs/dbraw/zinc/51/84/54/532518454.db2.gz UOFSKFZSGCRKOO-WBMJQRKESA-N 1 0 385.302 2.339 20 0 GEADRO CCOc1cc(C[NH2+][C@H](C)C(=O)NCCF)cc(Br)c1OC ZINC000282804443 532497705 /nfs/dbraw/zinc/49/77/05/532497705.db2.gz XHKPGEZVWWQZAM-SNVBAGLBSA-N 1 0 377.254 2.420 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccccc1Br ZINC000563330808 532498452 /nfs/dbraw/zinc/49/84/52/532498452.db2.gz LKFWWWAOJLSODL-ZDUSSCGKSA-N 1 0 382.302 2.056 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000236819436 532498540 /nfs/dbraw/zinc/49/85/40/532498540.db2.gz ZSMFWEGNKGZMLF-UHFFFAOYSA-N 1 0 395.319 2.262 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000236805889 532498949 /nfs/dbraw/zinc/49/89/49/532498949.db2.gz PPXTZUZFWURDKO-LBPRGKRZSA-N 1 0 388.281 2.342 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000563350425 532499993 /nfs/dbraw/zinc/49/99/93/532499993.db2.gz ORORSQCCMRFTMT-VNHYZAJKSA-N 1 0 388.917 2.256 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000520839617 532500506 /nfs/dbraw/zinc/50/05/06/532500506.db2.gz MBCKCAYTIYOIBI-VIFPVBQESA-N 1 0 383.283 2.073 20 0 GEADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000593896883 532500947 /nfs/dbraw/zinc/50/09/47/532500947.db2.gz RCWYZTZZPBNGNG-IAQYHMDHSA-N 1 0 388.295 2.217 20 0 GEADRO CCC[NH2+]CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000236908423 532501234 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C[C@@H]1CN(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2Br)C[C@@H](C)O1 ZINC000564864614 532535455 /nfs/dbraw/zinc/53/54/55/532535455.db2.gz PKRLYGJGEXMTQW-BEHLRCOKSA-N 1 0 383.330 2.365 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000630942753 532536504 /nfs/dbraw/zinc/53/65/04/532536504.db2.gz LGYNHQYKAZMLIA-ZDUSSCGKSA-N 1 0 393.285 2.233 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(Br)cc2)C1 ZINC000283406941 532536496 /nfs/dbraw/zinc/53/64/96/532536496.db2.gz ANOYMSUKCRFXEY-HOCLYGCPSA-N 1 0 394.313 2.008 20 0 GEADRO Cc1cc(Br)c(O)c(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000564931665 532538688 /nfs/dbraw/zinc/53/86/88/532538688.db2.gz LNHYSAAOGTVUOA-SNVBAGLBSA-N 1 0 380.246 2.059 20 0 GEADRO C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296748661 532539236 /nfs/dbraw/zinc/53/92/36/532539236.db2.gz OSSOZZZFKOHPSR-WFASDCNBSA-N 1 0 376.856 2.330 20 0 GEADRO C[C@@H](NC(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)[C@H](C)[NH3+] ZINC000564957193 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CCN1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374857901 532522377 /nfs/dbraw/zinc/52/23/77/532522377.db2.gz SPZMOEIESRVIHT-KCTSRDHCSA-N 1 0 376.444 2.264 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)ccc1SC(F)F ZINC000296458454 532522819 /nfs/dbraw/zinc/52/28/19/532522819.db2.gz NCVIDGLZIPVNNP-BONVTDFDSA-N 1 0 381.466 2.210 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000245705522 532522977 /nfs/dbraw/zinc/52/29/77/532522977.db2.gz DFZOXWMZBZHCOV-DZGCQCFKSA-N 1 0 388.555 2.018 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)C1 ZINC000374907978 532522914 /nfs/dbraw/zinc/52/29/14/532522914.db2.gz CVTCKYIQLZZMQG-LSDHHAIUSA-N 1 0 383.583 2.483 20 0 GEADRO CO[C@@H](CN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(Cl)cc1 ZINC000374917219 532524065 /nfs/dbraw/zinc/52/40/65/532524065.db2.gz RCZCVOCLYMYRIP-MSOLQXFVSA-N 1 0 386.945 2.269 20 0 GEADRO Cn1cnc(CC[NH2+]Cc2cc(Br)cc(Br)c2N)n1 ZINC000470249946 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C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000296642390 532531613 /nfs/dbraw/zinc/53/16/13/532531613.db2.gz YDIWCSSRAWLCGH-WDEREUQCSA-N 1 0 379.320 2.298 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000375104333 532533120 /nfs/dbraw/zinc/53/31/20/532533120.db2.gz GOKBEQIHHOGMBE-UWVGGRQHSA-N 1 0 385.686 2.423 20 0 GEADRO C[C@@H]1C[NH+](CCC2CCN(S(=O)(=O)CCC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000375099631 532533529 /nfs/dbraw/zinc/53/35/29/532533529.db2.gz HQWUZCSSEYBQNH-ZIAGYGMSSA-N 1 0 386.480 2.480 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000653433169 532533858 /nfs/dbraw/zinc/53/38/58/532533858.db2.gz AEVTUCDXXGOQBP-UHFFFAOYSA-N 1 0 398.345 2.468 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000296697615 532534313 /nfs/dbraw/zinc/53/43/13/532534313.db2.gz INBARBXCCYMYDS-LBPRGKRZSA-N 1 0 396.333 2.479 20 0 GEADRO Cc1cc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c(Cl)cc1F ZINC000470633206 532534476 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385.302 2.443 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(CC)(CC)C[NH3+])s1 ZINC000262030235 532582813 /nfs/dbraw/zinc/58/28/13/532582813.db2.gz SHSILOUDUSWNDC-UHFFFAOYSA-N 1 0 375.560 2.160 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000297339810 532582743 /nfs/dbraw/zinc/58/27/43/532582743.db2.gz OHBFZNGNNVQGOI-NSHDSACASA-N 1 0 381.278 2.297 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000433878226 532582957 /nfs/dbraw/zinc/58/29/57/532582957.db2.gz PKLJMURWSFUZTL-GJZGRUSLSA-N 1 0 380.432 2.215 20 0 GEADRO O=C(CSc1cccc(Br)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262048849 532583071 /nfs/dbraw/zinc/58/30/71/532583071.db2.gz MILWJSUGYLQCJO-AWEZNQCLSA-N 1 0 384.343 2.047 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1ncsc1Br ZINC000632254258 532595493 /nfs/dbraw/zinc/59/54/93/532595493.db2.gz MOTLUWLIFALRMK-SNVBAGLBSA-N 1 0 382.349 2.199 20 0 GEADRO CC(C)(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000262046834 532583533 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20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3C[C@H](C)[NH2+]C[C@H]3C)ccc2s1 ZINC000262062435 532584604 /nfs/dbraw/zinc/58/46/04/532584604.db2.gz OCBNORGJIHGJOT-NWDGAFQWSA-N 1 0 382.507 2.449 20 0 GEADRO C[NH+]1CCC2(CCCN2S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000632170079 532584989 /nfs/dbraw/zinc/58/49/89/532584989.db2.gz PGYCAWBYIMYIJA-UHFFFAOYSA-N 1 0 394.360 2.296 20 0 GEADRO O=C(c1cc(F)c(Br)cc1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295339 532584958 /nfs/dbraw/zinc/58/49/58/532584958.db2.gz YVUKLQHXCQXNFQ-DTWKUNHWSA-N 1 0 377.641 2.133 20 0 GEADRO O=C(c1[nH]c2ccc(Br)cc2c1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299834 532585883 /nfs/dbraw/zinc/58/58/83/532585883.db2.gz QWOTUHLEKCPLDR-WDEREUQCSA-N 1 0 398.688 2.475 20 0 GEADRO O=C(Nc1ccnc(Br)c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000297384754 532586161 /nfs/dbraw/zinc/58/61/61/532586161.db2.gz MHTYIOCQQSGNQJ-KBPBESRZSA-N 1 0 383.290 2.343 20 0 GEADRO O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298343 532586328 /nfs/dbraw/zinc/58/63/28/532586328.db2.gz GKAUADUTANOEDN-UONOGXRCSA-N 1 0 381.263 2.070 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262161518 532586683 /nfs/dbraw/zinc/58/66/83/532586683.db2.gz ZYBFUTPWSDEBAB-HWWQOWPSSA-N 1 0 375.897 2.215 20 0 GEADRO CC(F)(F)CCS(=O)(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000632181595 532586711 /nfs/dbraw/zinc/58/67/11/532586711.db2.gz LIEZHUJZWOMYET-UHFFFAOYSA-N 1 0 376.469 2.108 20 0 GEADRO [NH3+][C@H](C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)C1CCOCC1 ZINC000262159272 532587404 /nfs/dbraw/zinc/58/74/04/532587404.db2.gz XVVNZFDCFDYJBI-LBPRGKRZSA-N 1 0 381.782 2.003 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000565999554 532587623 /nfs/dbraw/zinc/58/76/23/532587623.db2.gz HSZLVWSSAKCIJQ-TZMCWYRMSA-N 1 0 380.286 2.135 20 0 GEADRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000632184274 532587699 /nfs/dbraw/zinc/58/76/99/532587699.db2.gz CINXTLFMTHKWNO-UHFFFAOYSA-N 1 0 396.376 2.399 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655420663 532588242 /nfs/dbraw/zinc/58/82/42/532588242.db2.gz BGXWZJXSBSOQRZ-SJCJKPOMSA-N 1 0 380.286 2.236 20 0 GEADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655432761 532588489 /nfs/dbraw/zinc/58/84/89/532588489.db2.gz GZJQGNADBFBEGB-GUYCJALGSA-N 1 0 390.285 2.240 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655421098 532588647 /nfs/dbraw/zinc/58/86/47/532588647.db2.gz PAYNEFIPJFGHDD-DYVFJYSZSA-N 1 0 380.286 2.202 20 0 GEADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000375968437 532588696 /nfs/dbraw/zinc/58/86/96/532588696.db2.gz JFGOVUAHGFYZHX-DOMZBBRYSA-N 1 0 386.279 2.301 20 0 GEADRO CS(=O)(=O)C1(C(=O)Nc2cccc(C3SCCS3)c2)CC[NH2+]CC1 ZINC000262196292 532588947 /nfs/dbraw/zinc/58/89/47/532588947.db2.gz MNBQZIKCWYNHFZ-UHFFFAOYSA-N 1 0 386.564 2.271 20 0 GEADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655432760 532588867 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CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000566082009 532591864 /nfs/dbraw/zinc/59/18/64/532591864.db2.gz RLRDCIOMFDJNLF-JTQLQIEISA-N 1 0 384.263 2.142 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000566072694 532592151 /nfs/dbraw/zinc/59/21/51/532592151.db2.gz DRLBYRSLGSCQDU-JQWIXIFHSA-N 1 0 379.295 2.143 20 0 GEADRO C[C@@]([NH3+])(C(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(Br)cc1 ZINC000655500176 532592236 /nfs/dbraw/zinc/59/22/36/532592236.db2.gz NRDHDLDYPFGQPP-BQFCYCMXSA-N 1 0 375.266 2.398 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262384686 532592252 /nfs/dbraw/zinc/59/22/52/532592252.db2.gz OKWRDXKGYVQXCV-QWRGUYRKSA-N 1 0 375.441 2.441 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NCc1nccs1 ZINC000284488918 532595913 /nfs/dbraw/zinc/59/59/13/532595913.db2.gz VDRIWSGBPZDVEC-UHFFFAOYSA-N 1 0 380.539 2.191 20 0 GEADRO Clc1ccc(OCCN2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000262411490 532592755 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CC[C@@H](NC(=O)[C@@H]([NH3+])COC)c1noc(-c2cccc(Br)c2)n1 ZINC000376063120 532594818 /nfs/dbraw/zinc/59/48/18/532594818.db2.gz XQLYAPBEUQOZBV-NWDGAFQWSA-N 1 0 383.246 2.040 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000250506590 532570997 /nfs/dbraw/zinc/57/09/97/532570997.db2.gz FDKGVIDBGZGSIZ-GHMZBOCLSA-N 1 0 377.304 2.219 20 0 GEADRO CC(C)[C@H]1CN(C(=O)NCCCCn2cc(Br)cn2)CC[N@@H+]1C ZINC000472316176 532570981 /nfs/dbraw/zinc/57/09/81/532570981.db2.gz DJQOEMAYDBOGII-OAHLLOKOSA-N 1 0 386.338 2.407 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)s1 ZINC000472319707 532571053 /nfs/dbraw/zinc/57/10/53/532571053.db2.gz QCIUNLGVQDZAOO-UHFFFAOYSA-N 1 0 390.527 2.038 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2Br)[C@H](C)C1 ZINC000283983060 532571212 /nfs/dbraw/zinc/57/12/12/532571212.db2.gz ZWEDWTLYFBRQBR-CJNGLKHVSA-N 1 0 396.329 2.254 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2OC)CC[C@H]1[NH3+] ZINC000251613395 532571328 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GEADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)C1 ZINC000566466502 532610593 /nfs/dbraw/zinc/61/05/93/532610593.db2.gz QGQBRDKMNAMEDZ-QWHCGFSZSA-N 1 0 387.293 2.197 20 0 GEADRO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435245550 532611532 /nfs/dbraw/zinc/61/15/32/532611532.db2.gz CHBBFGGHZYCKMT-KGLIPLIRSA-N 1 0 392.297 2.155 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000656277161 532611710 /nfs/dbraw/zinc/61/17/10/532611710.db2.gz AHDIPZMFMDDPRL-NEPJUHHUSA-N 1 0 385.302 2.308 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(c3ccc4c(Cl)ccc(Br)c4n3)CCN2C1=O ZINC000566489164 532613055 /nfs/dbraw/zinc/61/30/55/532613055.db2.gz IVYXPJDRFGEMBD-TVQRCGJNSA-N 1 0 395.688 2.399 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC000632488660 532613504 /nfs/dbraw/zinc/61/35/04/532613504.db2.gz GNOHCGKXMJFSSV-CYBMUJFWSA-N 1 0 388.917 2.128 20 0 GEADRO CN(CC(=O)Nc1ccc(I)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435627995 532622732 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CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000474668642 532624645 /nfs/dbraw/zinc/62/46/45/532624645.db2.gz NXFGQQWXUAQHRF-RISCZKNCSA-N 1 0 385.306 2.005 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ncsc2Br)C1 ZINC000632545569 532624732 /nfs/dbraw/zinc/62/47/32/532624732.db2.gz FGXAMBKZYVTNRR-VIFPVBQESA-N 1 0 382.349 2.198 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1I ZINC000597701602 532625149 /nfs/dbraw/zinc/62/51/49/532625149.db2.gz VDHXXJYAJZJCKQ-GXFFZTMASA-N 1 0 388.249 2.464 20 0 GEADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000376680116 532625228 /nfs/dbraw/zinc/62/52/28/532625228.db2.gz MPBIOPYRDVNZOR-UHFFFAOYSA-N 1 0 382.555 2.109 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCSCC2)c1 ZINC000474708139 532625532 /nfs/dbraw/zinc/62/55/32/532625532.db2.gz BSTYRUOTXNTONB-STQMWFEESA-N 1 0 385.555 2.043 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1nc(Br)sc1C1CC1 ZINC000376719701 532625890 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CCOC(=O)C1(C)CCC([NH2+]CCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000474890282 532631082 /nfs/dbraw/zinc/63/10/82/532631082.db2.gz UPGITESSGSDASR-UHFFFAOYSA-N 1 0 388.555 2.436 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)N[C@@H](C)CC[NH+](C)C)ccc1Br ZINC000531242453 532631513 /nfs/dbraw/zinc/63/15/13/532631513.db2.gz YWQNVENMXXPITK-LBPRGKRZSA-N 1 0 385.306 2.335 20 0 GEADRO C[NH+]1CCC(Oc2ccc(CNC(=O)CSc3nncs3)cc2)CC1 ZINC000284920351 532631508 /nfs/dbraw/zinc/63/15/08/532631508.db2.gz OKVPTOFBTLTWDM-UHFFFAOYSA-N 1 0 378.523 2.420 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)c(Cl)n1C ZINC000263649435 532632062 /nfs/dbraw/zinc/63/20/62/532632062.db2.gz DIBYTTYASRVRLR-GFCCVEGCSA-N 1 0 375.300 2.004 20 0 GEADRO CCOC(=O)[C@@](C)(O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000475032508 532635458 /nfs/dbraw/zinc/63/54/58/532635458.db2.gz MOZFKRNMXULDIA-INIZCTEOSA-N 1 0 386.286 2.359 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376904071 532635836 /nfs/dbraw/zinc/63/58/36/532635836.db2.gz QGPAOWLGCSNPTI-CYBMUJFWSA-N 1 0 382.555 2.108 20 0 GEADRO C[C@@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632659787 532635948 /nfs/dbraw/zinc/63/59/48/532635948.db2.gz BZNBBCLCANNIKT-RBSFLKMASA-N 1 0 385.496 2.005 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 ZINC000284972923 532636034 /nfs/dbraw/zinc/63/60/34/532636034.db2.gz SBEAJCAMSOCVQM-UHFFFAOYSA-N 1 0 388.295 2.089 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000263754711 532638770 /nfs/dbraw/zinc/63/87/70/532638770.db2.gz JJWPIRRVJQPJBK-UONOGXRCSA-N 1 0 375.560 2.042 20 0 GEADRO COc1cc2[nH]c(NCc3c(Br)c(C)nn3C)[nH+]c2cc1OC ZINC000567069237 532639159 /nfs/dbraw/zinc/63/91/59/532639159.db2.gz MZGIMMDCWKRBCE-UHFFFAOYSA-N 1 0 380.246 2.419 20 0 GEADRO CCOc1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc(Br)c1O ZINC000298291281 532640092 /nfs/dbraw/zinc/64/00/92/532640092.db2.gz FIMBKWAPPGIFQI-SNVBAGLBSA-N 1 0 378.288 2.078 20 0 GEADRO CC[N@@H+]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656897990 532640877 /nfs/dbraw/zinc/64/08/77/532640877.db2.gz PJLXWDNIYDWIHP-UHFFFAOYSA-N 1 0 379.295 2.446 20 0 GEADRO [NH3+]CCC1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000567119905 532641037 /nfs/dbraw/zinc/64/10/37/532641037.db2.gz UPSFCVMVXWVGGE-CQSZACIVSA-N 1 0 394.313 2.389 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000263798089 532641772 /nfs/dbraw/zinc/64/17/72/532641772.db2.gz SCIOOYFEIYCJFE-CABCVRRESA-N 1 0 398.345 2.277 20 0 GEADRO C[C@@H](CNC(=O)CCCOc1ccccc1Br)N1CC[NH+](C)CC1 ZINC000263812028 532642484 /nfs/dbraw/zinc/64/24/84/532642484.db2.gz XCZYWTVDDIVSEU-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567161894 532642442 /nfs/dbraw/zinc/64/24/42/532642442.db2.gz ZDHCXKQUZJBMDO-WCQYABFASA-N 1 0 382.309 2.148 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000532042803 532644019 /nfs/dbraw/zinc/64/40/19/532644019.db2.gz DFNYBDOTEARQLG-UHFFFAOYSA-N 1 0 377.432 2.340 20 0 GEADRO C[C@@](O)(C[NH2+]CCCNC(=O)c1cccc(Br)c1)C(F)(F)F ZINC000567228486 532645469 /nfs/dbraw/zinc/64/54/69/532645469.db2.gz VWBBSMLWVZSVJA-CYBMUJFWSA-N 1 0 383.208 2.472 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000633040850 532659773 /nfs/dbraw/zinc/65/97/73/532659773.db2.gz KTSNGHWJJAHIPA-CMPLNLGQSA-N 1 0 384.274 2.123 20 0 GEADRO C[C@@H](CN1CCOCC1)[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000298570161 532660596 /nfs/dbraw/zinc/66/05/96/532660596.db2.gz QGZGFXFQWNBHAB-AWEZNQCLSA-N 1 0 384.318 2.430 20 0 GEADRO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000298592711 532662156 /nfs/dbraw/zinc/66/21/56/532662156.db2.gz ZOJVSOFAELNJNR-ZDUSSCGKSA-N 1 0 378.416 2.048 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000437724375 532662723 /nfs/dbraw/zinc/66/27/23/532662723.db2.gz UOXDZCNQXUMSMN-HRCADAONSA-N 1 0 382.302 2.325 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)cc1F ZINC000264160750 532663756 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CC(C)Oc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)ccc1Br ZINC000633003535 532655354 /nfs/dbraw/zinc/65/53/54/532655354.db2.gz ZZPVBEXGRCHGQR-GFCCVEGCSA-N 1 0 384.274 2.043 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)Cc3cc(F)ccc3Br)C2)C1 ZINC000656994113 532655571 /nfs/dbraw/zinc/65/55/71/532655571.db2.gz CBCQSBBPOFMDBK-HNNXBMFYSA-N 1 0 391.306 2.446 20 0 GEADRO O=C(Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1)C(=O)NC1C[NH2+]C1 ZINC000633002106 532655647 /nfs/dbraw/zinc/65/56/47/532655647.db2.gz NCLGVIPIAORQDH-BDAKNGLRSA-N 1 0 376.404 2.006 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000567500972 532656556 /nfs/dbraw/zinc/65/65/56/532656556.db2.gz YTXWUXONKBWZDZ-GFCCVEGCSA-N 1 0 391.871 2.367 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599310836 532657391 /nfs/dbraw/zinc/65/73/91/532657391.db2.gz FIZPEJAVYZVAMG-NSHDSACASA-N 1 0 378.441 2.150 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000567501880 532657355 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Cc1nccnc1CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567697143 532658873 /nfs/dbraw/zinc/65/88/73/532658873.db2.gz PVOUTSQJTYZVPK-UHFFFAOYSA-N 1 0 384.299 2.154 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2)n1 ZINC000633039727 532659217 /nfs/dbraw/zinc/65/92/17/532659217.db2.gz UCHIAIAKSWPUKD-NEPJUHHUSA-N 1 0 376.507 2.489 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000633039236 532659580 /nfs/dbraw/zinc/65/95/80/532659580.db2.gz BOZCYCBDQIMKRK-RQJHMYQMSA-N 1 0 378.629 2.128 20 0 GEADRO CCS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000264943085 532684395 /nfs/dbraw/zinc/68/43/95/532684395.db2.gz SOFMCAUDDCMZCC-HIFRSBDPSA-N 1 0 385.555 2.269 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(Cl)c1F ZINC000378229108 532684846 /nfs/dbraw/zinc/68/48/46/532684846.db2.gz QHIIFUGKLNJENQ-XBFCOCLRSA-N 1 0 376.881 2.351 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000285478936 532684871 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COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000567898287 532670096 /nfs/dbraw/zinc/67/00/96/532670096.db2.gz JXGKBABGFFGKTR-UHFFFAOYSA-N 1 0 386.901 2.199 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000298720477 532670165 /nfs/dbraw/zinc/67/01/65/532670165.db2.gz DIAPRWFPWAJDDW-ZDUSSCGKSA-N 1 0 391.331 2.089 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000660026777 532671047 /nfs/dbraw/zinc/67/10/47/532671047.db2.gz HXAOTPPNDMAZBU-SECBINFHSA-N 1 0 383.258 2.490 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000377814803 532671652 /nfs/dbraw/zinc/67/16/52/532671652.db2.gz QVROUNJIWBPGHJ-JKSUJKDBSA-N 1 0 397.313 2.058 20 0 GEADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(OC)ccc2Br)C1 ZINC000660027873 532671692 /nfs/dbraw/zinc/67/16/92/532671692.db2.gz RIHSNPQDMIYAPS-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000660028182 532672330 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GEADRO Cc1ncc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)cn1 ZINC000608065599 532712450 /nfs/dbraw/zinc/71/24/50/532712450.db2.gz RKLSXTBCFIWGNY-UHFFFAOYSA-N 1 0 380.539 2.353 20 0 GEADRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000608077697 532712698 /nfs/dbraw/zinc/71/26/98/532712698.db2.gz XYDLMXNFGRAOPW-NHYWBVRUSA-N 1 0 393.285 2.475 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000440417170 532712837 /nfs/dbraw/zinc/71/28/37/532712837.db2.gz XKAHEOKIFZGVTD-PWSUYJOCSA-N 1 0 377.304 2.124 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cn1 ZINC000440412254 532713222 /nfs/dbraw/zinc/71/32/22/532713222.db2.gz FVVLAXJCFZUKLJ-UHFFFAOYSA-N 1 0 386.905 2.140 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)[C@]12CCCO2 ZINC000574386067 532713892 /nfs/dbraw/zinc/71/38/92/532713892.db2.gz DXNXICIJURLAMC-DUFGSWQCSA-N 1 0 385.302 2.316 20 0 GEADRO C[C@H]1CCSCCN1C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000574601703 532714616 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O=S1(=O)CC[C@H](CC[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)C1 ZINC000646017152 532720398 /nfs/dbraw/zinc/72/03/98/532720398.db2.gz FTOJWBHIPFCBPM-SWLSCSKDSA-N 1 0 381.416 2.423 20 0 GEADRO Cc1c(Br)cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(=O)n1C ZINC000285930635 532720487 /nfs/dbraw/zinc/72/04/87/532720487.db2.gz UGJIUCMHSTXNPK-AAEUAGOBSA-N 1 0 382.302 2.155 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000670868682 532720569 /nfs/dbraw/zinc/72/05/69/532720569.db2.gz CKQUNNQRGCXMFH-INIZCTEOSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000670868538 532720768 /nfs/dbraw/zinc/72/07/68/532720768.db2.gz ONCDXYKKKGJFAZ-MRXNPFEDSA-N 1 0 396.329 2.098 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](N2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000299491001 532721319 /nfs/dbraw/zinc/72/13/19/532721319.db2.gz AUFDQUGRJOUKLG-HNNXBMFYSA-N 1 0 380.286 2.474 20 0 GEADRO CCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@@H](C)CS(C)(=O)=O ZINC000497352112 532721567 /nfs/dbraw/zinc/72/15/67/532721567.db2.gz HGLANPKWHHSXJY-IRXDYDNUSA-N 1 0 375.579 2.208 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CCSC1 ZINC000611926302 532722210 /nfs/dbraw/zinc/72/22/10/532722210.db2.gz RDANKMFNRLQDGI-HNNXBMFYSA-N 1 0 399.314 2.198 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cscc1Br ZINC000575900702 532722244 /nfs/dbraw/zinc/72/22/44/532722244.db2.gz IVFXYIVDEJRAGI-LBPRGKRZSA-N 1 0 396.376 2.261 20 0 GEADRO C[N@@H+]1C[C@H](NC(=O)c2cc(I)c[nH]2)[C@@H](c2ccccc2)C1 ZINC000497418024 532722615 /nfs/dbraw/zinc/72/26/15/532722615.db2.gz PIMBWYDKQQHSPE-HIFRSBDPSA-N 1 0 395.244 2.447 20 0 GEADRO CC(C)[NH2+]CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000576138457 532722665 /nfs/dbraw/zinc/72/26/65/532722665.db2.gz WZXZHGIETXOWOW-CYBMUJFWSA-N 1 0 397.317 2.409 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC1CC([NH+](C)C)C1 ZINC000646106860 532722740 /nfs/dbraw/zinc/72/27/40/532722740.db2.gz DCQZGQKALLFJEF-SEEARECTSA-N 1 0 396.329 2.412 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000266700589 532722936 /nfs/dbraw/zinc/72/29/36/532722936.db2.gz RTLMAGXXROKRPB-UHFFFAOYSA-N 1 0 375.441 2.024 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1Cl ZINC000440855706 532723745 /nfs/dbraw/zinc/72/37/45/532723745.db2.gz GNNZXZYKPPJWAB-ZJUUUORDSA-N 1 0 383.297 2.129 20 0 GEADRO CN(C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000576129878 532723728 /nfs/dbraw/zinc/72/37/28/532723728.db2.gz UTIFHTGDWLWICL-MRXNPFEDSA-N 1 0 384.307 2.347 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCOc2ccc(Br)cc2C1 ZINC000612990456 532724070 /nfs/dbraw/zinc/72/40/70/532724070.db2.gz RHLAUUOOHLFYBI-HNNXBMFYSA-N 1 0 380.286 2.495 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000612971881 532724236 /nfs/dbraw/zinc/72/42/36/532724236.db2.gz XHXQALWDNKFEET-GOEBONIOSA-N 1 0 393.329 2.469 20 0 GEADRO CN1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)[C@H](C[NH3+])C1 ZINC000576157934 532724275 /nfs/dbraw/zinc/72/42/75/532724275.db2.gz XKLYLBPSYZUVOH-MRXNPFEDSA-N 1 0 392.297 2.082 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612983998 532724440 /nfs/dbraw/zinc/72/44/40/532724440.db2.gz REHSLUYRGMVQKK-KGLIPLIRSA-N 1 0 386.265 2.063 20 0 GEADRO COC[C@@]1(CNC(=O)[C@H](C)Oc2ccc(F)cc2Br)CCC[NH2+]1 ZINC000576148082 532724648 /nfs/dbraw/zinc/72/46/48/532724648.db2.gz ALIVGJVNTNTYJY-ZBEGNZNMSA-N 1 0 389.265 2.240 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000299521912 532724731 /nfs/dbraw/zinc/72/47/31/532724731.db2.gz QEPSFODPVQUXFN-GFCCVEGCSA-N 1 0 390.297 2.432 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000646472857 532724777 /nfs/dbraw/zinc/72/47/77/532724777.db2.gz KUCUPVHPMWPFGK-MNOVXSKESA-N 1 0 388.331 2.134 20 0 GEADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CC[S@@](=O)c2ccccc2)CC1 ZINC000576143123 532725089 /nfs/dbraw/zinc/72/50/89/532725089.db2.gz MTRILDNPAOOKKO-UPCLLVRISA-N 1 0 386.583 2.176 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000441781750 532726096 /nfs/dbraw/zinc/72/60/96/532726096.db2.gz WQMCSJDZUZFMGQ-NEPJUHHUSA-N 1 0 384.249 2.270 20 0 GEADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000539217275 532726938 /nfs/dbraw/zinc/72/69/38/532726938.db2.gz JCALBVQUYBGEFK-GFCCVEGCSA-N 1 0 381.885 2.068 20 0 GEADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000441971671 532728027 /nfs/dbraw/zinc/72/80/27/532728027.db2.gz MDKDRAXNIZRHPX-UHFFFAOYSA-N 1 0 387.933 2.473 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000539259267 532728345 /nfs/dbraw/zinc/72/83/45/532728345.db2.gz BIJVTCBFZZOONW-UHFFFAOYSA-N 1 0 379.869 2.205 20 0 GEADRO COC(=O)c1cccc(NC(=O)NCCNc2cc[nH+]cc2)c1Br ZINC000499828351 532728518 /nfs/dbraw/zinc/72/85/18/532728518.db2.gz PYYNEXYHVZWLMB-UHFFFAOYSA-N 1 0 393.241 2.286 20 0 GEADRO Cn1ccnc1N1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000266884126 532728917 /nfs/dbraw/zinc/72/89/17/532728917.db2.gz AZBQOJXPZJLNFU-UHFFFAOYSA-N 1 0 392.301 2.333 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000539417064 532729177 /nfs/dbraw/zinc/72/91/77/532729177.db2.gz JDDDNWITDUADNW-CYBMUJFWSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1 ZINC000499948438 532729468 /nfs/dbraw/zinc/72/94/68/532729468.db2.gz VOJNTCPRZOPMBB-DZGCQCFKSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cc2n(n1)CCC2 ZINC000577044006 532730857 /nfs/dbraw/zinc/73/08/57/532730857.db2.gz YFXUNJVJPGFRRA-UONOGXRCSA-N 1 0 380.539 2.252 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409940810 532731180 /nfs/dbraw/zinc/73/11/80/532731180.db2.gz XSCUMOSCWSAJAB-SJLPKXTDSA-N 1 0 381.314 2.083 20 0 GEADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000502855302 532742126 /nfs/dbraw/zinc/74/21/26/532742126.db2.gz IQQYRZCBGZANGK-AAEUAGOBSA-N 1 0 379.309 2.271 20 0 GEADRO C[C@@H]1C[NH+](C(C)(C)CNc2ncnc3c2c(Br)nn3C)C[C@@H](C)O1 ZINC000301147905 532742270 /nfs/dbraw/zinc/74/22/70/532742270.db2.gz HXXQNHJMASJRDW-GHMZBOCLSA-N 1 0 397.321 2.426 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000502858725 532742339 /nfs/dbraw/zinc/74/23/39/532742339.db2.gz SXSNZCNBGWZIOE-PWSUYJOCSA-N 1 0 375.803 2.384 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000502851135 532742347 /nfs/dbraw/zinc/74/23/47/532742347.db2.gz GNTZVMLLKCFXEL-RHSMWYFYSA-N 1 0 399.329 2.427 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000286385760 532743344 /nfs/dbraw/zinc/74/33/44/532743344.db2.gz CNEGKTTYCLBQIY-OLZOCXBDSA-N 1 0 394.313 2.393 20 0 GEADRO C[C@@H](CNC(=O)CCc1cc(Br)cs1)C[NH+]1CCN(C)CC1 ZINC000503230820 532744458 /nfs/dbraw/zinc/74/44/58/532744458.db2.gz KDSZSKWASIYYOR-ZDUSSCGKSA-N 1 0 388.375 2.443 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)c2occc2Br)CC1 ZINC000286434673 532746095 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GEADRO C[NH+](C)CCn1cc(NS(=O)(=O)CCc2cccc(Cl)c2)ccc1=O ZINC000506829584 532755436 /nfs/dbraw/zinc/75/54/36/532755436.db2.gz BDQFYFPHVRNBRL-UHFFFAOYSA-N 1 0 383.901 2.048 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000268101613 532755789 /nfs/dbraw/zinc/75/57/89/532755789.db2.gz IBNFESVPDLYSIH-KGLIPLIRSA-N 1 0 394.313 2.355 20 0 GEADRO CCOC(=O)c1cnc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1C ZINC000581368562 532755994 /nfs/dbraw/zinc/75/59/94/532755994.db2.gz PKQVDDQWRAQVDV-INIZCTEOSA-N 1 0 395.257 2.172 20 0 GEADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000541556602 532756411 /nfs/dbraw/zinc/75/64/11/532756411.db2.gz ZLWPQFKBYCUPLL-UHFFFAOYSA-N 1 0 375.922 2.181 20 0 GEADRO COc1cc(CO)cc(I)c1OCC[C@H]1CC[NH2+]C1 ZINC000581543274 532756621 /nfs/dbraw/zinc/75/66/21/532756621.db2.gz ZJGWUKSGKIPSPG-SNVBAGLBSA-N 1 0 377.222 2.171 20 0 GEADRO C[C@@H]1CN(C(=O)c2ncsc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000581507982 532757010 /nfs/dbraw/zinc/75/70/10/532757010.db2.gz UJXUOAVKRGEZCE-VXGBXAGGSA-N 1 0 387.347 2.004 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000268173563 532757430 /nfs/dbraw/zinc/75/74/30/532757430.db2.gz MIYZXXSFYXTONT-XPTSAGLGSA-N 1 0 384.249 2.126 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000541752908 532758613 /nfs/dbraw/zinc/75/86/13/532758613.db2.gz WMPKCIPPBIYBIV-HNNXBMFYSA-N 1 0 385.302 2.400 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cccc(Br)c1C ZINC000541831695 532759286 /nfs/dbraw/zinc/75/92/86/532759286.db2.gz UAIAKXBYKGHDFH-UHFFFAOYSA-N 1 0 393.347 2.394 20 0 GEADRO C[C@@](CO)([NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccc(O)c1 ZINC000451040604 532761185 /nfs/dbraw/zinc/76/11/85/532761185.db2.gz RZVSJVLZEVMBDA-WMZOPIPTSA-N 1 0 396.281 2.392 20 0 GEADRO C[C@@]([NH3+])(C(=O)NC[C@@H](CO)Cc1ccco1)c1ccc(Br)cc1 ZINC000582783859 532761849 /nfs/dbraw/zinc/76/18/49/532761849.db2.gz WIGJXSJAPUPPIU-SJCJKPOMSA-N 1 0 381.270 2.183 20 0 GEADRO O=C(CCc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 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C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000269177718 532776421 /nfs/dbraw/zinc/77/64/21/532776421.db2.gz HICLWTDCLFJXGO-WDEREUQCSA-N 1 0 388.331 2.087 20 0 GEADRO CNc1cc(I)ccc1C(=O)NCC1CC[NH+](C)CC1 ZINC000411833971 532776849 /nfs/dbraw/zinc/77/68/49/532776849.db2.gz LUUBURLRVZDRHC-UHFFFAOYSA-N 1 0 387.265 2.405 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000512220812 532777090 /nfs/dbraw/zinc/77/70/90/532777090.db2.gz UXLZUGCOBIROOJ-HUUCEWRRSA-N 1 0 385.302 2.476 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000269259091 532778109 /nfs/dbraw/zinc/77/81/09/532778109.db2.gz IORBURYFAHCWFM-LSDHHAIUSA-N 1 0 382.302 2.153 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CC[C@H]1[NH3+] ZINC000269265225 532778301 /nfs/dbraw/zinc/77/83/01/532778301.db2.gz KKFBILXUOCDGOT-IAQYHMDHSA-N 1 0 387.933 2.226 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000269259089 532778324 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C[C@@H]1CN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000331389997 532838883 /nfs/dbraw/zinc/83/88/83/532838883.db2.gz LOTRWRFLRAIIBG-UHOFOFEASA-N 1 0 381.929 2.152 20 0 GEADRO O=C1N[C@H]2CN(Cc3ccc(Br)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415132544 532838956 /nfs/dbraw/zinc/83/89/56/532838956.db2.gz BAQLYLANKJYTGU-DLBZAZTESA-N 1 0 393.329 2.169 20 0 GEADRO O=C(Nc1cc(F)c(F)cc1I)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415237904 532839148 /nfs/dbraw/zinc/83/91/48/532839148.db2.gz KGEAGTYATQTRRO-KRTXAFLBSA-N 1 0 393.175 2.395 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415237955 532839153 /nfs/dbraw/zinc/83/91/53/532839153.db2.gz KHZIOOJHUUXLPX-SSDOTTSWSA-N 1 0 381.164 2.395 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331427380 532839376 /nfs/dbraw/zinc/83/93/76/532839376.db2.gz ANDPJXVERHNMIK-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000415201058 532839534 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[NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000415261190 532840053 /nfs/dbraw/zinc/84/00/53/532840053.db2.gz DBEYPZNJCMHEON-VIFPVBQESA-N 1 0 394.191 2.356 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415275366 532840335 /nfs/dbraw/zinc/84/03/35/532840335.db2.gz VMFFHMVXHRXFPL-LLVKDONJSA-N 1 0 376.254 2.491 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(Cl)cc1I ZINC000415278027 532840374 /nfs/dbraw/zinc/84/03/74/532840374.db2.gz ABIBISIFSIITQC-SECBINFHSA-N 1 0 395.628 2.055 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1sccc1Br)CCO2 ZINC000274059546 532840391 /nfs/dbraw/zinc/84/03/91/532840391.db2.gz IIDFELMLAZDWEI-ZWNOBZJWSA-N 1 0 380.329 2.337 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415284455 532840415 /nfs/dbraw/zinc/84/04/15/532840415.db2.gz POXIHUYFSLPIFZ-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415279582 532840518 /nfs/dbraw/zinc/84/05/18/532840518.db2.gz HOSMGLVPVRREAC-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)C(=O)N1CC[NH2+]CC1 ZINC000415283044 532840539 /nfs/dbraw/zinc/84/05/39/532840539.db2.gz MCNKFZATSWHULR-UHFFFAOYSA-N 1 0 381.807 2.365 20 0 GEADRO O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415298568 532840716 /nfs/dbraw/zinc/84/07/16/532840716.db2.gz GTAPFBMLNBYIOJ-SNVBAGLBSA-N 1 0 379.766 2.088 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000415287196 532840826 /nfs/dbraw/zinc/84/08/26/532840826.db2.gz VWNIPDMGIWDWJE-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331517097 532840843 /nfs/dbraw/zinc/84/08/43/532840843.db2.gz JHLPAEISGXXGHQ-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000415303405 532840924 /nfs/dbraw/zinc/84/09/24/532840924.db2.gz SEUAKMITEFTZIE-VIFPVBQESA-N 1 0 394.191 2.227 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415295732 532840931 /nfs/dbraw/zinc/84/09/31/532840931.db2.gz HXEXZMGIALGFLX-SSDOTTSWSA-N 1 0 378.629 2.000 20 0 GEADRO C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)C(=O)NCCC[NH3+] ZINC000415293761 532841001 /nfs/dbraw/zinc/84/10/01/532841001.db2.gz OMTQHOUHWGVSPP-JTQLQIEISA-N 1 0 384.267 2.203 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCCC[NH2+]C ZINC000415305250 532841094 /nfs/dbraw/zinc/84/10/94/532841094.db2.gz ITUNVOJDZWRJFZ-UHFFFAOYSA-N 1 0 392.681 2.165 20 0 GEADRO O=C(Nc1ccc(Br)c2ccccc12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415312696 532841139 /nfs/dbraw/zinc/84/11/39/532841139.db2.gz GTBBKUYPENDQRZ-NSHDSACASA-N 1 0 376.254 2.409 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC000415330600 532841647 /nfs/dbraw/zinc/84/16/47/532841647.db2.gz RQQFNNJBHBYMCE-UHFFFAOYSA-N 1 0 379.766 2.388 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415337849 532841662 /nfs/dbraw/zinc/84/16/62/532841662.db2.gz VFNFQTYIXYJNTE-JTQLQIEISA-N 1 0 380.189 2.340 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000331595981 532841764 /nfs/dbraw/zinc/84/17/64/532841764.db2.gz YKVPNVRJAYACPG-IINYFYTJSA-N 1 0 389.315 2.219 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cnc3sccc3c2=O)C1 ZINC000053391596 205137183 /nfs/dbraw/zinc/13/71/83/205137183.db2.gz QBYIVMNIRNRMCM-AWEZNQCLSA-N 1 0 376.526 2.475 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000056947566 205153317 /nfs/dbraw/zinc/15/33/17/205153317.db2.gz OUGVKKIYNJGLPQ-BRWVUGGUSA-N 1 0 395.569 2.397 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415333289 532841856 /nfs/dbraw/zinc/84/18/56/532841856.db2.gz OKDNBXNKCKHHNK-NSHDSACASA-N 1 0 391.269 2.052 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415348836 532842180 /nfs/dbraw/zinc/84/21/80/532842180.db2.gz LAASOLWBWHSNTR-GHMZBOCLSA-N 1 0 386.265 2.339 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC000415351733 532842311 /nfs/dbraw/zinc/84/23/11/532842311.db2.gz IPQPVCKGEDMEEB-SECBINFHSA-N 1 0 379.766 2.027 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000415351024 532842365 /nfs/dbraw/zinc/84/23/65/532842365.db2.gz NASOJQVFTSNQGH-DTWKUNHWSA-N 1 0 390.228 2.170 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000415359812 532842668 /nfs/dbraw/zinc/84/26/68/532842668.db2.gz WXEHYGKIJOKHGI-NSHDSACASA-N 1 0 375.416 2.395 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc(OC(C)C)c2)C1 ZINC000415374667 532843103 /nfs/dbraw/zinc/84/31/03/532843103.db2.gz KOLDHYGRJJSXQF-ZDUSSCGKSA-N 1 0 398.301 2.385 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415374554 532843193 /nfs/dbraw/zinc/84/31/93/532843193.db2.gz DHZBPFLATXALRS-LLVKDONJSA-N 1 0 398.301 2.372 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415378900 532843197 /nfs/dbraw/zinc/84/31/97/532843197.db2.gz QIHDBXKGLSJIBF-QMMMGPOBSA-N 1 0 392.656 2.391 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415377956 532843162 /nfs/dbraw/zinc/84/31/62/532843162.db2.gz MSLJKTVTMKEIAZ-ZETCQYMHSA-N 1 0 378.629 2.048 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415368913 532843174 /nfs/dbraw/zinc/84/31/74/532843174.db2.gz BCXHIZWRNKMCLE-SECBINFHSA-N 1 0 394.191 2.275 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415388094 532843623 /nfs/dbraw/zinc/84/36/23/532843623.db2.gz CRQDPHDINXKUID-JTQLQIEISA-N 1 0 375.803 2.038 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000415385919 532843646 /nfs/dbraw/zinc/84/36/46/532843646.db2.gz WCFRRONAIWFMST-JTQLQIEISA-N 1 0 379.766 2.088 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415385827 532843697 /nfs/dbraw/zinc/84/36/97/532843697.db2.gz ONMIHBJSNVSCLK-SNVBAGLBSA-N 1 0 386.265 2.421 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000288983364 532843713 /nfs/dbraw/zinc/84/37/13/532843713.db2.gz XVLGKAMFPVLXJF-UHFFFAOYSA-N 1 0 388.917 2.035 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000415392760 532843883 /nfs/dbraw/zinc/84/38/83/532843883.db2.gz YIWBTDSSYPWFRD-NSHDSACASA-N 1 0 394.313 2.462 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415396858 532844010 /nfs/dbraw/zinc/84/40/10/532844010.db2.gz QGTIHFWQXIOZJI-JTQLQIEISA-N 1 0 375.803 2.038 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000415396406 532844014 /nfs/dbraw/zinc/84/40/14/532844014.db2.gz HICMITZXIWGDOP-UHFFFAOYSA-N 1 0 395.301 2.118 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415395415 532844032 /nfs/dbraw/zinc/84/40/32/532844032.db2.gz NVUPWWRIFWWQKG-LLVKDONJSA-N 1 0 391.269 2.004 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000415394043 532844041 /nfs/dbraw/zinc/84/40/41/532844041.db2.gz BYFVGOIGQMUYGR-UHFFFAOYSA-N 1 0 382.302 2.462 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000274218059 532844686 /nfs/dbraw/zinc/84/46/86/532844686.db2.gz OIMBNEBGIUPHLV-UHFFFAOYSA-N 1 0 396.285 2.083 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)[C@@H](C)C[NH2+]1 ZINC000331825783 532844954 /nfs/dbraw/zinc/84/49/54/532844954.db2.gz DBKOZKGQLMSTKI-MNOVXSKESA-N 1 0 379.262 2.244 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415428065 532845017 /nfs/dbraw/zinc/84/50/17/532845017.db2.gz ODLVEVBMYYRILK-GFCCVEGCSA-N 1 0 393.285 2.425 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415426215 532845001 /nfs/dbraw/zinc/84/50/01/532845001.db2.gz AHQWGULFMCGCKZ-DTWKUNHWSA-N 1 0 390.228 2.252 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC[C@H]1[NH3+] ZINC000415428721 532845051 /nfs/dbraw/zinc/84/50/51/532845051.db2.gz DDEVIWBTXWQSHY-GXFFZTMASA-N 1 0 391.269 2.132 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415434418 532845282 /nfs/dbraw/zinc/84/52/82/532845282.db2.gz WHLKWIPMUVSPNZ-NSHDSACASA-N 1 0 393.285 2.425 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415437245 532845345 /nfs/dbraw/zinc/84/53/45/532845345.db2.gz ZEDPDWLDMHCWDB-JTQLQIEISA-N 1 0 377.819 2.412 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)C1CC1 ZINC000415441143 532845634 /nfs/dbraw/zinc/84/56/34/532845634.db2.gz AFOSOCAFRKVSGP-LLVKDONJSA-N 1 0 377.844 2.489 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(F)cc1Br ZINC000415435969 532845642 /nfs/dbraw/zinc/84/56/42/532845642.db2.gz JCGRPPUTLUPEBZ-WDEREUQCSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415432518 532845657 /nfs/dbraw/zinc/84/56/57/532845657.db2.gz FVEBXOZGRYBTFL-DTWKUNHWSA-N 1 0 390.228 2.252 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415451582 532845841 /nfs/dbraw/zinc/84/58/41/532845841.db2.gz XNIAGEGKSUMFLU-GFCCVEGCSA-N 1 0 379.258 2.035 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC000274242792 532846021 /nfs/dbraw/zinc/84/60/21/532846021.db2.gz RMWTWFDYNNXMHU-OAHLLOKOSA-N 1 0 392.301 2.395 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC[C@H]1[NH3+] ZINC000415465579 532846393 /nfs/dbraw/zinc/84/63/93/532846393.db2.gz SBMIZPOYBUCWOF-ZWNOBZJWSA-N 1 0 391.269 2.132 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415478072 532846831 /nfs/dbraw/zinc/84/68/31/532846831.db2.gz YKWMVIJYQCRUPO-OLZOCXBDSA-N 1 0 396.285 2.139 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000415483757 532846922 /nfs/dbraw/zinc/84/69/22/532846922.db2.gz ZYAFHPXNOLDFRU-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000415485989 532847324 /nfs/dbraw/zinc/84/73/24/532847324.db2.gz DXWDGXGSFSRRAW-AWEZNQCLSA-N 1 0 398.301 2.385 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415487226 532847456 /nfs/dbraw/zinc/84/74/56/532847456.db2.gz RLUZZZGTTTUDGB-SECBINFHSA-N 1 0 394.191 2.356 20 0 GEADRO Cc1ccc(NC(=O)CSc2nncs2)cc1NC(=O)CC[NH+](C)C ZINC000274283891 532847000 /nfs/dbraw/zinc/84/70/00/532847000.db2.gz CECHOOOCUQXVNU-UHFFFAOYSA-N 1 0 379.511 2.468 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415483011 532847002 /nfs/dbraw/zinc/84/70/02/532847002.db2.gz GBERCDMGTRZSPA-ZDUSSCGKSA-N 1 0 397.317 2.492 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N2CCC([NH3+])CC2)ccc1Br ZINC000331971067 532847169 /nfs/dbraw/zinc/84/71/69/532847169.db2.gz WGRANKBOHRAPDI-INIZCTEOSA-N 1 0 394.313 2.371 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415501984 532847772 /nfs/dbraw/zinc/84/77/72/532847772.db2.gz SDZBBMHLWVANNV-QMMMGPOBSA-N 1 0 378.217 2.300 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415503826 532847828 /nfs/dbraw/zinc/84/78/28/532847828.db2.gz VNQFHQFGUAHNLP-QMMMGPOBSA-N 1 0 378.217 2.300 20 0 GEADRO [NH3+]C[C@@H](NC(=O)Nc1nnc(-c2cccc(Br)c2)s1)C1CC1 ZINC000415501274 532847986 /nfs/dbraw/zinc/84/79/86/532847986.db2.gz OCAHOHOYAUVGKJ-LLVKDONJSA-N 1 0 382.287 2.826 20 0 GEADRO Cc1ccc(I)cc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415507274 532848266 /nfs/dbraw/zinc/84/82/66/532848266.db2.gz MSXJIXHDCMHBQP-LBPRGKRZSA-N 1 0 389.237 2.100 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)Nc2nnc(-c3cc(Br)ccc3F)s2)C1 ZINC000415507521 532848429 /nfs/dbraw/zinc/84/84/29/532848429.db2.gz VRHSDSISVSOYIY-MRVPVSSYSA-N 1 0 386.250 2.672 20 0 GEADRO Cc1ccc(I)cc1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415507887 532848465 /nfs/dbraw/zinc/84/84/65/532848465.db2.gz OZDGLUQRIZJOSD-LBPRGKRZSA-N 1 0 389.237 2.181 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415521911 532848719 /nfs/dbraw/zinc/84/87/19/532848719.db2.gz LUYHMTBPPUBVMI-WDEREUQCSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415525147 532848744 /nfs/dbraw/zinc/84/87/44/532848744.db2.gz OZONEUPTBRINHD-JGVFFNPUSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415534708 532849197 /nfs/dbraw/zinc/84/91/97/532849197.db2.gz YIPRYXMJYBCVPX-QWRGUYRKSA-N 1 0 391.269 2.132 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1OC ZINC000332186367 532849420 /nfs/dbraw/zinc/84/94/20/532849420.db2.gz BGSRNTYWZNVRGC-UHFFFAOYSA-N 1 0 383.857 2.397 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415543851 532849487 /nfs/dbraw/zinc/84/94/87/532849487.db2.gz SMBJQSARXWVDGQ-FUNVUKJBSA-N 1 0 380.286 2.437 20 0 GEADRO O=C(Nc1c(F)cc(F)cc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415546266 532849513 /nfs/dbraw/zinc/84/95/13/532849513.db2.gz AHQCVCBLQVMSOM-NSHDSACASA-N 1 0 389.244 2.239 20 0 GEADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415534180 532849538 /nfs/dbraw/zinc/84/95/38/532849538.db2.gz JLOFQWCXJCMBTM-UHFFFAOYSA-N 1 0 381.807 2.269 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000274394124 532849662 /nfs/dbraw/zinc/84/96/62/532849662.db2.gz ICQBJGDWIKSQRY-JSGCOSHPSA-N 1 0 380.286 2.439 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415549104 532849691 /nfs/dbraw/zinc/84/96/91/532849691.db2.gz GHNRISFQYKEDGM-ZETCQYMHSA-N 1 0 393.079 2.004 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415556082 532849781 /nfs/dbraw/zinc/84/97/81/532849781.db2.gz CEQJUBDJMQTEEN-CMPLNLGQSA-N 1 0 391.269 2.132 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415549207 532849786 /nfs/dbraw/zinc/84/97/86/532849786.db2.gz SMMAZTKBLLUXCM-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000415548901 532849836 /nfs/dbraw/zinc/84/98/36/532849836.db2.gz JEPYBTVLEYYPDM-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000415557727 532849907 /nfs/dbraw/zinc/84/99/07/532849907.db2.gz WZUDLRMFFWHKLL-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000274467478 532850497 /nfs/dbraw/zinc/85/04/97/532850497.db2.gz PCXBKBIGNUEYNE-UHFFFAOYSA-N 1 0 387.933 2.209 20 0 GEADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CCn1cc(Br)cn1 ZINC000289230763 532850634 /nfs/dbraw/zinc/85/06/34/532850634.db2.gz DAEUSLMLMJAHCV-UHFFFAOYSA-N 1 0 398.305 2.200 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCC[NH2+]C1 ZINC000415571930 532850768 /nfs/dbraw/zinc/85/07/68/532850768.db2.gz APLAMYQROYSXQQ-MRXNPFEDSA-N 1 0 375.803 2.386 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415577240 532850983 /nfs/dbraw/zinc/85/09/83/532850983.db2.gz YXSNGVXPKVWRMR-RYUDHWBXSA-N 1 0 398.301 2.384 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000415613706 532851216 /nfs/dbraw/zinc/85/12/16/532851216.db2.gz MIBRGLZWAXNKHK-ZWNOBZJWSA-N 1 0 382.789 2.285 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000415614510 532851327 /nfs/dbraw/zinc/85/13/27/532851327.db2.gz OVBJOBZQOSKYJA-QWRGUYRKSA-N 1 0 382.258 2.309 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415632830 532851583 /nfs/dbraw/zinc/85/15/83/532851583.db2.gz XGQAMSQFTHHIMT-NSHDSACASA-N 1 0 376.226 2.480 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000415640302 532851585 /nfs/dbraw/zinc/85/15/85/532851585.db2.gz RIDXRUQHXOJDMS-CYBMUJFWSA-N 1 0 381.274 2.250 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415640903 532851676 /nfs/dbraw/zinc/85/16/76/532851676.db2.gz WTGZFWSJDLNYRC-SECBINFHSA-N 1 0 384.303 2.945 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2s1 ZINC000415609238 532851389 /nfs/dbraw/zinc/85/13/89/532851389.db2.gz VKKDEPYHSUDVTP-QGZVFWFLSA-N 1 0 378.885 2.409 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1Br ZINC000415620489 532851407 /nfs/dbraw/zinc/85/14/07/532851407.db2.gz UWRCFFBHXWJFIR-PRHODGIISA-N 1 0 388.693 2.464 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415620224 532851414 /nfs/dbraw/zinc/85/14/14/532851414.db2.gz IKBYREUZRZQYIO-JOYOIKCWSA-N 1 0 375.416 2.236 20 0 GEADRO Cc1c(Br)ccc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1F ZINC000415633507 532851991 /nfs/dbraw/zinc/85/19/91/532851991.db2.gz VSKUBOAYKJRUDB-LBPRGKRZSA-N 1 0 385.281 2.408 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415656247 532852126 /nfs/dbraw/zinc/85/21/26/532852126.db2.gz LBEVYXUXMHRGDM-GXSJLCMTSA-N 1 0 375.803 2.037 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415633324 532851756 /nfs/dbraw/zinc/85/17/56/532851756.db2.gz QKNBRJJQSRUEFI-OKILXGFUSA-N 1 0 380.286 2.303 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415652972 532852182 /nfs/dbraw/zinc/85/21/82/532852182.db2.gz RNFBZXRYJIKLJL-STQMWFEESA-N 1 0 391.269 2.322 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332345841 532852228 /nfs/dbraw/zinc/85/22/28/532852228.db2.gz NWLXEYQHUOMFSX-YUTCNCBUSA-N 1 0 380.286 2.282 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)C[C@H]21 ZINC000332347249 532852387 /nfs/dbraw/zinc/85/23/87/532852387.db2.gz OBJMRPDIAODFOX-IRUJWGPZSA-N 1 0 384.249 2.113 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415662345 532852633 /nfs/dbraw/zinc/85/26/33/532852633.db2.gz RIHSFESUFCTNHH-MRVPVSSYSA-N 1 0 379.661 2.267 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[NH2+]1 ZINC000415664811 532852731 /nfs/dbraw/zinc/85/27/31/532852731.db2.gz TXKDYIVBTIUSMR-SCZZXKLOSA-N 1 0 379.766 2.434 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415675339 532853161 /nfs/dbraw/zinc/85/31/61/532853161.db2.gz LQDHMEUGDJMQIZ-ZYHUDNBSSA-N 1 0 384.274 2.043 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415691552 532853734 /nfs/dbraw/zinc/85/37/34/532853734.db2.gz QFCIXZARPYBGDM-LLVKDONJSA-N 1 0 386.265 2.423 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000415682555 532853656 /nfs/dbraw/zinc/85/36/56/532853656.db2.gz VIWXRGLWIXIKPZ-JTQLQIEISA-N 1 0 375.803 2.467 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000415685796 532853703 /nfs/dbraw/zinc/85/37/03/532853703.db2.gz ZMVBQTZTRSITNF-JTQLQIEISA-N 1 0 375.803 2.467 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000274657147 532853818 /nfs/dbraw/zinc/85/38/18/532853818.db2.gz OLKXQPABWGZKOI-SNVBAGLBSA-N 1 0 386.370 2.359 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(OC)c(Br)cc1C(=O)OC ZINC000415723218 532854436 /nfs/dbraw/zinc/85/44/36/532854436.db2.gz LCMIGBVSZQYOIB-SECBINFHSA-N 1 0 388.262 2.364 20 0 GEADRO C[NH2+]CCCNC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415714433 532854621 /nfs/dbraw/zinc/85/46/21/532854621.db2.gz WZGLSTDLJQVHLE-UHFFFAOYSA-N 1 0 375.376 2.835 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000415720790 532854629 /nfs/dbraw/zinc/85/46/29/532854629.db2.gz IUNNOBCYDFQUQQ-LDYMZIIASA-N 1 0 386.246 2.055 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000415725134 532854391 /nfs/dbraw/zinc/85/43/91/532854391.db2.gz NUVIWXFFGJAZDG-UHFFFAOYSA-N 1 0 386.246 2.198 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000415724860 532854408 /nfs/dbraw/zinc/85/44/08/532854408.db2.gz LTMWVAKWYJUYOU-XYPYZODXSA-N 1 0 386.265 2.408 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415730761 532855063 /nfs/dbraw/zinc/85/50/63/532855063.db2.gz USHGYTIYIUHRAP-VIFPVBQESA-N 1 0 388.262 2.493 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415738260 532854977 /nfs/dbraw/zinc/85/49/77/532854977.db2.gz FCLQLRJZCKDMCO-MRVPVSSYSA-N 1 0 378.217 2.300 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415744510 532855614 /nfs/dbraw/zinc/85/56/14/532855614.db2.gz LGDZWXJZTIMSQC-CHWSQXEVSA-N 1 0 380.286 2.018 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415745958 532855626 /nfs/dbraw/zinc/85/56/26/532855626.db2.gz OHRDYDIFIDWULP-CPCISQLKSA-N 1 0 394.191 2.355 20 0 GEADRO CN(C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)[C@H](C[NH3+])C1CC1 ZINC000415752999 532856100 /nfs/dbraw/zinc/85/61/00/532856100.db2.gz FOXPNQJCAGARSC-CQSZACIVSA-N 1 0 378.274 2.836 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)n2)s1 ZINC000415744972 532855445 /nfs/dbraw/zinc/85/54/45/532855445.db2.gz LWXMSFFXNQQPKQ-RYUDHWBXSA-N 1 0 376.507 2.186 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415763044 532856523 /nfs/dbraw/zinc/85/65/23/532856523.db2.gz XEABDQYXQHURCM-CQSZACIVSA-N 1 0 378.274 2.980 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000332502071 532856656 /nfs/dbraw/zinc/85/66/56/532856656.db2.gz RKIKEHWNJZMOPU-YPMHNXCESA-N 1 0 383.286 2.362 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000415780697 532857146 /nfs/dbraw/zinc/85/71/46/532857146.db2.gz DJHOSEINRKMNHU-CYBMUJFWSA-N 1 0 398.305 2.004 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415783284 532857287 /nfs/dbraw/zinc/85/72/87/532857287.db2.gz HWVXACDPQCANDZ-LBPRGKRZSA-N 1 0 384.267 2.030 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000332583122 532857407 /nfs/dbraw/zinc/85/74/07/532857407.db2.gz AEBAUTXIKJUVBL-LBPRGKRZSA-N 1 0 382.302 2.025 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F)C(F)F ZINC000415781814 532857418 /nfs/dbraw/zinc/85/74/18/532857418.db2.gz DKNOMHLMENHNMI-VIFPVBQESA-N 1 0 385.745 2.021 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)C(F)F ZINC000415781239 532857421 /nfs/dbraw/zinc/85/74/21/532857421.db2.gz CRISRBQZGDVJPA-MRVPVSSYSA-N 1 0 384.608 2.140 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415782905 532857451 /nfs/dbraw/zinc/85/74/51/532857451.db2.gz HNEUFUBOQXARTC-NSHDSACASA-N 1 0 384.267 2.030 20 0 GEADRO COCC[N@@H+]1CC[C@H](NCc2ncc(Br)cc2Br)C1 ZINC000274838439 532857723 /nfs/dbraw/zinc/85/77/23/532857723.db2.gz LQAMGIIPBJHXTM-NSHDSACASA-N 1 0 393.123 2.417 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415797688 532857784 /nfs/dbraw/zinc/85/77/84/532857784.db2.gz ALEQCBSAGBNMJX-VXGBXAGGSA-N 1 0 398.301 2.338 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415793270 532857830 /nfs/dbraw/zinc/85/78/30/532857830.db2.gz UXNRWLUKQQOKRE-SSDOTTSWSA-N 1 0 398.179 2.140 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)CCO1 ZINC000274840911 532857957 /nfs/dbraw/zinc/85/79/57/532857957.db2.gz WQDKEOAZOZOTGX-CQSZACIVSA-N 1 0 392.253 2.436 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)C[C@@H]1C[NH3+] ZINC000332601384 532858060 /nfs/dbraw/zinc/85/80/60/532858060.db2.gz NHSGGUMYHQNXJC-AAEUAGOBSA-N 1 0 384.307 2.321 20 0 GEADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1cccs1 ZINC000289539309 532858116 /nfs/dbraw/zinc/85/81/16/532858116.db2.gz PEHWBWSLTSOBTQ-ZDUSSCGKSA-N 1 0 395.424 2.397 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415806275 532858130 /nfs/dbraw/zinc/85/81/30/532858130.db2.gz JYRRSRAJWWXXDL-AAEUAGOBSA-N 1 0 398.301 2.420 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1F ZINC000415803744 532858151 /nfs/dbraw/zinc/85/81/51/532858151.db2.gz HLKNVNLNBDQAEQ-GHMZBOCLSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCn1cc(Br)ccc1=O ZINC000332620126 532858242 /nfs/dbraw/zinc/85/82/42/532858242.db2.gz NUIVZUUXQUMJDL-KBPBESRZSA-N 1 0 384.318 2.238 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H]1[NH+]1CCCC1 ZINC000274846300 532857980 /nfs/dbraw/zinc/85/79/80/532857980.db2.gz SVYSDWZBSGAFBL-KGLIPLIRSA-N 1 0 375.947 2.076 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415803685 532858408 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C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C[C@@H]1C[NH3+] ZINC000415847071 532860290 /nfs/dbraw/zinc/86/02/90/532860290.db2.gz KUJYOEUXCSAKMM-BDAKNGLRSA-N 1 0 390.228 2.109 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415843165 532860335 /nfs/dbraw/zinc/86/03/35/532860335.db2.gz SGYYNRMKENKDCG-MWLCHTKSSA-N 1 0 375.416 2.365 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C[C@H]1[NH3+] ZINC000415850862 532860574 /nfs/dbraw/zinc/86/05/74/532860574.db2.gz XVZJFOWKRHUECU-PSASIEDQSA-N 1 0 379.766 2.025 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1F ZINC000415852176 532860713 /nfs/dbraw/zinc/86/07/13/532860713.db2.gz QHSVGXPEWJJMTN-ONGXEEELSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C[C@H]1C[NH3+] ZINC000415847077 532860380 /nfs/dbraw/zinc/86/03/80/532860380.db2.gz KUJYOEUXCSAKMM-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000274972282 532860960 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2.200 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415872994 532861558 /nfs/dbraw/zinc/86/15/58/532861558.db2.gz TUCUMMLNSZCXFL-RWMBFGLXSA-N 1 0 380.286 2.200 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415874431 532861584 /nfs/dbraw/zinc/86/15/84/532861584.db2.gz WZMZYBHWKMEJJO-HOSYDEDBSA-N 1 0 384.249 2.031 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415878669 532861716 /nfs/dbraw/zinc/86/17/16/532861716.db2.gz NQHWRMRXILDQLR-SDDRHHMPSA-N 1 0 398.276 2.339 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415873252 532861734 /nfs/dbraw/zinc/86/17/34/532861734.db2.gz UFHLLBVBKQKKJJ-JHJVBQTASA-N 1 0 380.286 2.200 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415872664 532861452 /nfs/dbraw/zinc/86/14/52/532861452.db2.gz STYYYKDGZAAGEG-UHFFFAOYSA-N 1 0 392.656 2.438 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415872604 532861777 /nfs/dbraw/zinc/86/17/77/532861777.db2.gz SMUWHHGJYALTSV-UHFFFAOYSA-N 1 0 375.803 2.181 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415899401 532861955 /nfs/dbraw/zinc/86/19/55/532861955.db2.gz UYVAHWUIPZTENA-CHWSQXEVSA-N 1 0 380.286 2.018 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000415881101 532861969 /nfs/dbraw/zinc/86/19/69/532861969.db2.gz SYRCOBMDJPPJLF-JHJVBQTASA-N 1 0 380.286 2.200 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC000415995406 532862365 /nfs/dbraw/zinc/86/23/65/532862365.db2.gz MZFLITSQMRDQFO-CQSZACIVSA-N 1 0 378.826 2.447 20 0 GEADRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCc3cc(Br)ccn3)cc2C1 ZINC000415962845 532862693 /nfs/dbraw/zinc/86/26/93/532862693.db2.gz QLNDTLBWDFYXLG-GFCCVEGCSA-N 1 0 376.258 2.377 20 0 GEADRO O=C(N[C@@H]1CC[S@](=O)C1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000332943481 532862499 /nfs/dbraw/zinc/86/24/99/532862499.db2.gz NGTWANZXXFMTRN-XGZNKIABSA-N 1 0 387.908 2.264 20 0 GEADRO CCN(C[C@@H]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1)CC(F)(F)F ZINC000416033697 532863282 /nfs/dbraw/zinc/86/32/82/532863282.db2.gz SFJFWIQTJTWQNC-QWRGUYRKSA-N 1 0 378.361 2.182 20 0 GEADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000275092755 532864120 /nfs/dbraw/zinc/86/41/20/532864120.db2.gz IIWIBIUURLAECM-DGCLKSJQSA-N 1 0 395.219 2.483 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000333147432 532864768 /nfs/dbraw/zinc/86/47/68/532864768.db2.gz KHVDNVUOFKNQBN-TZMCWYRMSA-N 1 0 388.917 2.462 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333134581 532864848 /nfs/dbraw/zinc/86/48/48/532864848.db2.gz CDADNFWAXUQKDY-LSDHHAIUSA-N 1 0 381.318 2.469 20 0 GEADRO C[NH+](C)CCOCCNC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416186805 532866477 /nfs/dbraw/zinc/86/64/77/532866477.db2.gz DAHLHWBMNDBVGV-UHFFFAOYSA-N 1 0 381.673 2.479 20 0 GEADRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000275184490 532867869 /nfs/dbraw/zinc/86/78/69/532867869.db2.gz DZJVKMKNKNLHOG-HUUCEWRRSA-N 1 0 398.301 2.051 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC[N@H+](CC)CC2)cc1Br ZINC000275188392 532868066 /nfs/dbraw/zinc/86/80/66/532868066.db2.gz ANGWOBFAYWUIAQ-UHFFFAOYSA-N 1 0 398.301 2.341 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000333476831 532869125 /nfs/dbraw/zinc/86/91/25/532869125.db2.gz FBCYYOKCSZWPIX-INIZCTEOSA-N 1 0 382.302 2.327 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCOc1cccc(Br)c1 ZINC000416289584 532869590 /nfs/dbraw/zinc/86/95/90/532869590.db2.gz FQTXXPOUGUOJRS-KBPBESRZSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@H]1C[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC[N@@H+]1C ZINC000333538100 532870218 /nfs/dbraw/zinc/87/02/18/532870218.db2.gz RLBXOPXCLXJMRZ-STQMWFEESA-N 1 0 397.317 2.350 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 ZINC000416307927 532870479 /nfs/dbraw/zinc/87/04/79/532870479.db2.gz NLLDGIQHVYZLMD-HNNXBMFYSA-N 1 0 394.313 2.151 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000416315203 532870622 /nfs/dbraw/zinc/87/06/22/532870622.db2.gz UIDZCGLLYRIGNR-QWHCGFSZSA-N 1 0 394.313 2.386 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)cnc2c1Cl ZINC000333534449 532870285 /nfs/dbraw/zinc/87/02/85/532870285.db2.gz YNQKQBYPCMOCJP-NEPJUHHUSA-N 1 0 385.921 2.090 20 0 GEADRO COc1cc(NC(=O)Cn2cc(Br)cn2)ccc1OCC[NH+](C)C ZINC000416340562 532870831 /nfs/dbraw/zinc/87/08/31/532870831.db2.gz KMWCHWFEZFGZFJ-UHFFFAOYSA-N 1 0 397.273 2.233 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)c(Cl)c1 ZINC000333576883 532871063 /nfs/dbraw/zinc/87/10/63/532871063.db2.gz NGRHOCHZEZMSFW-UHFFFAOYSA-N 1 0 380.901 2.474 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000333710341 532871982 /nfs/dbraw/zinc/87/19/82/532871982.db2.gz SFIWXHUATKLPJZ-RDJZCZTQSA-N 1 0 388.917 2.256 20 0 GEADRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ncc(Br)cc1F ZINC000275315956 532872123 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GEADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCCS(=O)(=O)C3)cnc12 ZINC000290184928 532874547 /nfs/dbraw/zinc/87/45/47/532874547.db2.gz SGTYJSQUNOYJGL-LBPRGKRZSA-N 1 0 386.315 2.320 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000333904801 532875035 /nfs/dbraw/zinc/87/50/35/532875035.db2.gz CJIYMCRWDADGTI-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCc2ccccc2Br)CC1 ZINC000333902037 532875128 /nfs/dbraw/zinc/87/51/28/532875128.db2.gz BSNYNLSJGWWNFO-CVEARBPZSA-N 1 0 382.302 2.487 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nc2ccc(Br)cn2n1 ZINC000333904263 532875164 /nfs/dbraw/zinc/87/51/64/532875164.db2.gz CEIIZCNVZVOJED-WCQYABFASA-N 1 0 378.274 2.191 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)NCCc2ccc(I)s2)C1 ZINC000417442261 532879948 /nfs/dbraw/zinc/87/99/48/532879948.db2.gz TUNHADAVGVNYGF-SECBINFHSA-N 1 0 379.267 2.028 20 0 GEADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290335546 532878407 /nfs/dbraw/zinc/87/84/07/532878407.db2.gz HRMDHZSUPQEODI-STQMWFEESA-N 1 0 375.270 2.316 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000275546953 532878628 /nfs/dbraw/zinc/87/86/28/532878628.db2.gz BDHNNTXOCDCXHA-UHFFFAOYSA-N 1 0 391.273 2.413 20 0 GEADRO C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000417187767 532879024 /nfs/dbraw/zinc/87/90/24/532879024.db2.gz WSOBXGUUKRRZKZ-TVQRCGJNSA-N 1 0 384.274 2.318 20 0 GEADRO C[C@H](O)c1ncc(C[NH2+]C[C@@H](O)COc2ccccc2Br)s1 ZINC000290391736 532879304 /nfs/dbraw/zinc/87/93/04/532879304.db2.gz OQNSCGZTOPNNCW-WDEREUQCSA-N 1 0 387.299 2.488 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417278327 532879543 /nfs/dbraw/zinc/87/95/43/532879543.db2.gz ITIRKEQADNSGRD-YOEHRIQHSA-N 1 0 395.345 2.069 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccc(I)s1 ZINC000417442349 532879894 /nfs/dbraw/zinc/87/98/94/532879894.db2.gz UHXQVYZFEUULTB-GXSJLCMTSA-N 1 0 393.294 2.192 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418921462 532881611 /nfs/dbraw/zinc/88/16/11/532881611.db2.gz CVHAJVUCAXSHSM-JKSUJKDBSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419553738 532882394 /nfs/dbraw/zinc/88/23/94/532882394.db2.gz GKPFYZIBZGACKQ-XQQFMLRXSA-N 1 0 384.307 2.394 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)s1 ZINC000419721701 532882873 /nfs/dbraw/zinc/88/28/73/532882873.db2.gz ZOCCJUSSFKBDCX-MXWKQRLJSA-N 1 0 386.315 2.041 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N(Cc1cc(Br)ccc1F)C(C)C ZINC000419889042 532883092 /nfs/dbraw/zinc/88/30/92/532883092.db2.gz KLTBUVPCHKDPAR-UHFFFAOYSA-N 1 0 388.281 2.051 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000419873990 532883196 /nfs/dbraw/zinc/88/31/96/532883196.db2.gz VOFPMLGUDBIGQJ-CJNGLKHVSA-N 1 0 375.519 2.137 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Nc2nc(Sc3ccccc3)ns2)CC1 ZINC000290522072 532883380 /nfs/dbraw/zinc/88/33/80/532883380.db2.gz WUIMMEZYWPLZQH-UHFFFAOYSA-N 1 0 379.511 2.268 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000420451355 532883713 /nfs/dbraw/zinc/88/37/13/532883713.db2.gz QDPHXMYQTRUVBR-LBPRGKRZSA-N 1 0 377.304 2.036 20 0 GEADRO Cc1c(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cnn1-c1ccc(Cl)cc1 ZINC000420459646 532883812 /nfs/dbraw/zinc/88/38/12/532883812.db2.gz KKJVXKBMNPNXQD-LBPRGKRZSA-N 1 0 378.832 2.095 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC[C@H]([NH3+])C(C)C)cc1Br ZINC000418419561 532880614 /nfs/dbraw/zinc/88/06/14/532880614.db2.gz ZDNFSPBYHMDPLL-ZBFHGGJFSA-N 1 0 386.334 2.191 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CCc2cc(Br)ccc21 ZINC000275656474 532880703 /nfs/dbraw/zinc/88/07/03/532880703.db2.gz QJKSGHLKMVLWQZ-MRXNPFEDSA-N 1 0 382.302 2.458 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418411745 532880899 /nfs/dbraw/zinc/88/08/99/532880899.db2.gz XCHLVWBUESRQAQ-ZDUSSCGKSA-N 1 0 376.320 2.406 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418466518 532881102 /nfs/dbraw/zinc/88/11/02/532881102.db2.gz HKNYYOVFDLAVHN-GFCCVEGCSA-N 1 0 384.278 2.045 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418461349 532881264 /nfs/dbraw/zinc/88/12/64/532881264.db2.gz IUOBCWXLFNZWAD-HIFRSBDPSA-N 1 0 386.334 2.417 20 0 GEADRO O=c1c2cc(Br)c(F)cc2ncn1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000418932118 532881455 /nfs/dbraw/zinc/88/14/55/532881455.db2.gz FVAHJBRQODQAAW-PHIMTYICSA-N 1 0 382.233 2.161 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)C1=Cc2cc(Br)ccc2OC1 ZINC000275916567 532885883 /nfs/dbraw/zinc/88/58/83/532885883.db2.gz UOUBFTVHTNYMOB-UHFFFAOYSA-N 1 0 381.270 2.063 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000276006575 532887321 /nfs/dbraw/zinc/88/73/21/532887321.db2.gz AUPOAWLAPRMRPJ-QMMMGPOBSA-N 1 0 378.217 2.122 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Cl)ncc1Br ZINC000290563976 532884435 /nfs/dbraw/zinc/88/44/35/532884435.db2.gz GACJWLAJDUDHSI-UHFFFAOYSA-N 1 0 391.741 2.453 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000360165584 532890040 /nfs/dbraw/zinc/89/00/40/532890040.db2.gz MVNAAVCOTXUJER-LBPRGKRZSA-N 1 0 396.285 2.093 20 0 GEADRO C[C@@H](COCC(F)(F)F)NC(=O)NC1CCN(Cc2cscn2)CC1 ZINC000360215970 532890087 /nfs/dbraw/zinc/89/00/87/532890087.db2.gz JPAQLBCNXYYUIT-NSHDSACASA-N 1 0 380.436 2.374 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000276077776 532888741 /nfs/dbraw/zinc/88/87/41/532888741.db2.gz LYOKKCUNFPDQBE-GFCCVEGCSA-N 1 0 392.297 2.105 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(Cc3c(Cl)n(C)nc3C(F)(F)F)C2)CC1 ZINC000360682888 532890763 /nfs/dbraw/zinc/89/07/63/532890763.db2.gz WSERYFMXDKNWJC-LBPRGKRZSA-N 1 0 379.858 2.304 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000276195671 532890874 /nfs/dbraw/zinc/89/08/74/532890874.db2.gz JGUBKOQZOSHSQT-UHFFFAOYSA-N 1 0 391.331 2.266 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc3c(c2)SCC(=O)N3)C[C@@H]1[NH+]1CCCC1 ZINC000290853241 532890988 /nfs/dbraw/zinc/89/09/88/532890988.db2.gz ZEPKRAVKEKPWQC-HOCLYGCPSA-N 1 0 377.535 2.383 20 0 GEADRO O=C(Nc1cccc(Cl)c1F)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000360847164 532891010 /nfs/dbraw/zinc/89/10/10/532891010.db2.gz AORBSIKOFZLCJH-LBPRGKRZSA-N 1 0 389.880 2.252 20 0 GEADRO COc1ccc(Br)c(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000360873050 532891197 /nfs/dbraw/zinc/89/11/97/532891197.db2.gz OWRXSJNUGGKBPV-OAHLLOKOSA-N 1 0 397.313 2.370 20 0 GEADRO COCCOCCOCC[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000276209124 532891340 /nfs/dbraw/zinc/89/13/40/532891340.db2.gz HKURZNZCXJLBHM-MRXNPFEDSA-N 1 0 376.291 2.094 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000360826805 532891414 /nfs/dbraw/zinc/89/14/14/532891414.db2.gz AJAQRVQHUPCFGG-HNNXBMFYSA-N 1 0 385.961 2.437 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360971418 532891954 /nfs/dbraw/zinc/89/19/54/532891954.db2.gz BQMSINSXPFSXRS-LLLHUVSDSA-N 1 0 378.314 2.392 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000290905934 532892304 /nfs/dbraw/zinc/89/23/04/532892304.db2.gz IFTRHKBJNNIMMA-GFCCVEGCSA-N 1 0 375.922 2.049 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000361278067 532892496 /nfs/dbraw/zinc/89/24/96/532892496.db2.gz IGMAZIPTDIQKLL-SJCJKPOMSA-N 1 0 396.285 2.268 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000276296831 532893191 /nfs/dbraw/zinc/89/31/91/532893191.db2.gz XPEQTKYBPPXLMW-UHFFFAOYSA-N 1 0 391.331 2.266 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)c2ccsc2S1(=O)=O ZINC000290946975 532893185 /nfs/dbraw/zinc/89/31/85/532893185.db2.gz GEOPUIFMCCUINV-WFASDCNBSA-N 1 0 385.555 2.386 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000423080194 532893291 /nfs/dbraw/zinc/89/32/91/532893291.db2.gz SDCIHKSMPBWCAI-UHFFFAOYSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C[C@H](C)[NH2+]1 ZINC000423082225 532893545 /nfs/dbraw/zinc/89/35/45/532893545.db2.gz WQJAAVUTHWCTLS-STQMWFEESA-N 1 0 394.313 2.149 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)C1 ZINC000423098489 532893996 /nfs/dbraw/zinc/89/39/96/532893996.db2.gz CWSQOPYSMXYTEH-RISCZKNCSA-N 1 0 378.274 2.416 20 0 GEADRO C[C@@H]1CC[NH2+]CC[C@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000423099184 532894036 /nfs/dbraw/zinc/89/40/36/532894036.db2.gz FDPOSZNIKGESBA-BXUZGUMPSA-N 1 0 387.265 2.207 20 0 GEADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccncc3Br)CCC[N@@H+]2C)cn1 ZINC000361815518 532894161 /nfs/dbraw/zinc/89/41/61/532894161.db2.gz QEXNITABQXDZHA-LRDDRELGSA-N 1 0 392.301 2.391 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000423101911 532894256 /nfs/dbraw/zinc/89/42/56/532894256.db2.gz DPPHCBUBVLOKSH-CRAIPNDOSA-N 1 0 394.313 2.310 20 0 GEADRO O=C(Cc1csc(-c2cccs2)n1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000361928668 532894566 /nfs/dbraw/zinc/89/45/66/532894566.db2.gz PPZJKKSOZUTYMH-LSDHHAIUSA-N 1 0 377.535 2.472 20 0 GEADRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000424019628 532894571 /nfs/dbraw/zinc/89/45/71/532894571.db2.gz KMVVEXSRZUMTOA-OAHLLOKOSA-N 1 0 393.285 2.133 20 0 GEADRO C[C@H]1CCN(C(=O)COc2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000424026245 532894656 /nfs/dbraw/zinc/89/46/56/532894656.db2.gz XGUJTBMAIJOLDR-NWDGAFQWSA-N 1 0 388.249 2.113 20 0 GEADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424031404 532894673 /nfs/dbraw/zinc/89/46/73/532894673.db2.gz ZYURCDSIEKTETG-CJNGLKHVSA-N 1 0 385.302 2.429 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000423029387 532892938 /nfs/dbraw/zinc/89/29/38/532892938.db2.gz UXXKIIFTZNVLCU-LBPRGKRZSA-N 1 0 390.347 2.301 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccncc1Br ZINC000361300409 532892969 /nfs/dbraw/zinc/89/29/69/532892969.db2.gz VFDNKNKURKKQKA-XJKCOSOUSA-N 1 0 382.302 2.463 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000276400241 532895298 /nfs/dbraw/zinc/89/52/98/532895298.db2.gz OLGZYLIDNABSFH-WDMOLILDSA-N 1 0 378.416 2.048 20 0 GEADRO Cc1csc(N2CCC([NH2+]CCNS(=O)(=O)c3cccs3)CC2)n1 ZINC000362293537 532895630 /nfs/dbraw/zinc/89/56/30/532895630.db2.gz MVVIWRWIZUCYAF-UHFFFAOYSA-N 1 0 386.568 2.050 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000276472136 532896375 /nfs/dbraw/zinc/89/63/75/532896375.db2.gz YSWHZSHITMRPIX-UHFFFAOYSA-N 1 0 382.555 2.180 20 0 GEADRO Cc1nc(NC(=O)c2csc(CC[NH3+])n2)ccc1I ZINC000291146156 532896741 /nfs/dbraw/zinc/89/67/41/532896741.db2.gz YTYYIFYUGMQLLI-UHFFFAOYSA-N 1 0 388.234 2.205 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)n1 ZINC000363555368 532899310 /nfs/dbraw/zinc/89/93/10/532899310.db2.gz PFTKIRXIZITYOI-GFCCVEGCSA-N 1 0 384.267 3.007 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000363535716 532899358 /nfs/dbraw/zinc/89/93/58/532899358.db2.gz ULCKMGYZTKDTSD-DJIMGWMZSA-N 1 0 390.908 2.492 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000276662930 532899624 /nfs/dbraw/zinc/89/96/24/532899624.db2.gz JSERSEABHXVQQD-UHFFFAOYSA-N 1 0 390.527 2.040 20 0 GEADRO O=C(CCOc1ccccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363593105 532899783 /nfs/dbraw/zinc/89/97/83/532899783.db2.gz MJEFZAUJZOMFQY-ZIAGYGMSSA-N 1 0 383.286 2.197 20 0 GEADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000363751272 532900423 /nfs/dbraw/zinc/90/04/23/532900423.db2.gz OPZLGZUMPCNQHA-ZNMIVQPWSA-N 1 0 397.313 2.179 20 0 GEADRO C[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000363332208 532898499 /nfs/dbraw/zinc/89/84/99/532898499.db2.gz VOTLBWKWTYPLNN-CYBMUJFWSA-N 1 0 381.318 2.271 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000291225844 532898768 /nfs/dbraw/zinc/89/87/68/532898768.db2.gz COXSILQPSGXCFI-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)[N@@H+]1CCC[C@H](C)C1 ZINC000291263395 532899049 /nfs/dbraw/zinc/89/90/49/532899049.db2.gz HHWRBBLJPWTYAM-VHSXEESVSA-N 1 0 378.420 2.337 20 0 GEADRO Cn1cc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cc(Br)c1=O ZINC000276785215 532901016 /nfs/dbraw/zinc/90/10/16/532901016.db2.gz JOVZTPZAHOJLOW-UHFFFAOYSA-N 1 0 385.306 2.391 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000364036268 532902949 /nfs/dbraw/zinc/90/29/49/532902949.db2.gz RRFRTPRLBNAXGP-OAHLLOKOSA-N 1 0 398.276 2.143 20 0 GEADRO C[NH+]1CCC(CC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)CC1 ZINC000291615157 532905188 /nfs/dbraw/zinc/90/51/88/532905188.db2.gz GKYWJQYMRFHRPF-KRWDZBQOSA-N 1 0 394.313 2.181 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000291712564 532907827 /nfs/dbraw/zinc/90/78/27/532907827.db2.gz JNPFAERKZDCXQV-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO O=C(c1ccc(Br)cn1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364367706 532906194 /nfs/dbraw/zinc/90/61/94/532906194.db2.gz AJXBLKYONNYULU-UHFFFAOYSA-N 1 0 382.302 2.419 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000277061740 532907253 /nfs/dbraw/zinc/90/72/53/532907253.db2.gz HGFGZRVMBPWDNE-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000364605784 532907304 /nfs/dbraw/zinc/90/73/04/532907304.db2.gz VCCNMBOZQOQLNF-FZKCQIBNSA-N 1 0 379.913 2.336 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000291693887 532907595 /nfs/dbraw/zinc/90/75/95/532907595.db2.gz AAQURQOLGNYKMV-WFASDCNBSA-N 1 0 382.302 2.436 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000291837646 532909393 /nfs/dbraw/zinc/90/93/93/532909393.db2.gz GNRQBDCECPFBCC-OAHLLOKOSA-N 1 0 378.416 2.344 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3ccccc3Br)CC2)C1 ZINC000365348910 532909965 /nfs/dbraw/zinc/90/99/65/532909965.db2.gz MCZPYMJNJIBSCN-HNNXBMFYSA-N 1 0 395.345 2.099 20 0 GEADRO Cn1nc(Br)cc1C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000365405928 532910697 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GEADRO O=C(CN1CC[NH+]([C@@H]2CCSC2)CC1)Nc1nc2ccc(F)cc2s1 ZINC000365857592 532912520 /nfs/dbraw/zinc/91/25/20/532912520.db2.gz APQVCPOURLITEQ-CYBMUJFWSA-N 1 0 380.514 2.497 20 0 GEADRO O=C(CCc1nc(-c2cccs2)no1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365871652 532912714 /nfs/dbraw/zinc/91/27/14/532912714.db2.gz RJYWOVJLOSGOQH-ZDUSSCGKSA-N 1 0 378.523 2.380 20 0 GEADRO COCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000365582823 532911139 /nfs/dbraw/zinc/91/11/39/532911139.db2.gz BRQABWSMBDTZRJ-UHFFFAOYSA-N 1 0 382.313 2.121 20 0 GEADRO CC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)c1noc(-c2cccc(Br)c2)n1 ZINC000365711934 532911669 /nfs/dbraw/zinc/91/16/69/532911669.db2.gz MCSVKCRVLBDAIP-QWHCGFSZSA-N 1 0 397.273 2.430 20 0 GEADRO O=C(/C=C/c1c(Cl)nc2sccn12)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366194308 532915245 /nfs/dbraw/zinc/91/52/45/532915245.db2.gz ZCYRYLYDRMVRNU-AORQRIRUSA-N 1 0 380.901 2.432 20 0 GEADRO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C[NH+](C)C ZINC000292355749 532915560 /nfs/dbraw/zinc/91/55/60/532915560.db2.gz LHLZSSIIWNVSID-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366286703 532916024 /nfs/dbraw/zinc/91/60/24/532916024.db2.gz OBCMJSJMTHSZPX-CABZTGNLSA-N 1 0 379.707 2.475 20 0 GEADRO COCC[NH2+]CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000366322078 532916246 /nfs/dbraw/zinc/91/62/46/532916246.db2.gz INLIPJKUPXODIH-UHFFFAOYSA-N 1 0 388.295 2.407 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000292099907 532912896 /nfs/dbraw/zinc/91/28/96/532912896.db2.gz OGHFXVFHYFCUPZ-CHWSQXEVSA-N 1 0 382.302 2.436 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000292099910 532913000 /nfs/dbraw/zinc/91/30/00/532913000.db2.gz OGHFXVFHYFCUPZ-STQMWFEESA-N 1 0 382.302 2.436 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000292113163 532913327 /nfs/dbraw/zinc/91/33/27/532913327.db2.gz PRHUFKPWVXSMJB-JTQLQIEISA-N 1 0 376.320 2.216 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366071512 532914126 /nfs/dbraw/zinc/91/41/26/532914126.db2.gz GKEKJCBOJGISHN-HUUCEWRRSA-N 1 0 384.343 2.099 20 0 GEADRO C[NH+]1CCC(CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000366098588 532914417 /nfs/dbraw/zinc/91/44/17/532914417.db2.gz XECMNSSTVQJATO-UHFFFAOYSA-N 1 0 393.289 2.493 20 0 GEADRO Cc1cn2c(n1)CN(C(=O)C(=O)Nc1c(F)ccc(C)c1Br)CC2 ZINC000366581601 532919057 /nfs/dbraw/zinc/91/90/57/532919057.db2.gz TXUPPKZZUTUFST-UHFFFAOYSA-N 1 0 395.232 2.382 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366330627 532916464 /nfs/dbraw/zinc/91/64/64/532916464.db2.gz MDYMAJYSOOMVNW-UKRRQHHQSA-N 1 0 388.917 2.128 20 0 GEADRO C[C@H](NS(=O)(=O)CC[NH+]1CCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000366464789 532917360 /nfs/dbraw/zinc/91/73/60/532917360.db2.gz GBVOSMWEOXVGMG-LBPRGKRZSA-N 1 0 384.889 2.466 20 0 GEADRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000366447288 532917559 /nfs/dbraw/zinc/91/75/59/532917559.db2.gz ZVFHSSFERYIVCR-MRXNPFEDSA-N 1 0 384.567 2.312 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1CCS(=O)(=O)CC1 ZINC000366500641 532917989 /nfs/dbraw/zinc/91/79/89/532917989.db2.gz MWFZRKOGXNSATA-QEJZJMRPSA-N 1 0 378.510 2.137 20 0 GEADRO C[NH+](C)C1(CNc2cnn(-c3ccccn3)c(=O)c2Br)CCC1 ZINC000293081944 532921875 /nfs/dbraw/zinc/92/18/75/532921875.db2.gz NYNQKMWIJJNTIS-UHFFFAOYSA-N 1 0 378.274 2.286 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3nc(-c4cccs4)cs3)C2)C1 ZINC000293105566 532922071 /nfs/dbraw/zinc/92/20/71/532922071.db2.gz CJIIFPMMJJGDGL-QGZVFWFLSA-N 1 0 376.507 2.364 20 0 GEADRO Cc1csc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H](O)COCC(F)(F)F)C2)n1 ZINC000366605071 532919281 /nfs/dbraw/zinc/91/92/81/532919281.db2.gz BBINTWSGIPFWLS-VXGBXAGGSA-N 1 0 381.420 2.042 20 0 GEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(F)cc3Br)C2)CC1 ZINC000366639111 532919761 /nfs/dbraw/zinc/91/97/61/532919761.db2.gz GZQHPRHMCROOAB-OAHLLOKOSA-N 1 0 398.320 2.415 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000366649252 532919973 /nfs/dbraw/zinc/91/99/73/532919973.db2.gz CGIXUPVCOXLPGG-HZPDHXFCSA-N 1 0 390.908 2.230 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(Cc3nnnn3-c3ccccc3Br)C2)C1 ZINC000293010889 532921097 /nfs/dbraw/zinc/92/10/97/532921097.db2.gz PUCBXTCLGHHHMX-QGZVFWFLSA-N 1 0 391.317 2.343 20 0 GEADRO C[NH+]1CCC(CC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CC1 ZINC000293028873 532921242 /nfs/dbraw/zinc/92/12/42/532921242.db2.gz VHMSDVONIFWPAT-KRWDZBQOSA-N 1 0 394.313 2.181 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(F)cc3Br)C2)C1 ZINC000293262521 532924260 /nfs/dbraw/zinc/92/42/60/532924260.db2.gz GLDTUJBZGXCBSA-KRWDZBQOSA-N 1 0 398.276 2.471 20 0 GEADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367371310 532924433 /nfs/dbraw/zinc/92/44/33/532924433.db2.gz KFYQHCUQMLFSOF-UHFFFAOYSA-N 1 0 379.247 2.403 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccccc3Br)C2)C1 ZINC000293297674 532924895 /nfs/dbraw/zinc/92/48/95/532924895.db2.gz IMZXONMVUAPQJJ-KRWDZBQOSA-N 1 0 380.286 2.332 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)nnn1-c1cccc(Br)c1 ZINC000293299299 532924904 /nfs/dbraw/zinc/92/49/04/532924904.db2.gz HPSKEYDYXAJMKG-WFASDCNBSA-N 1 0 390.285 2.162 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1Cl ZINC000367677431 532926371 /nfs/dbraw/zinc/92/63/71/532926371.db2.gz DGPKUNFSANYYGD-HNNXBMFYSA-N 1 0 388.295 2.347 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+](C2CCC2)C1 ZINC000293472362 532927297 /nfs/dbraw/zinc/92/72/97/532927297.db2.gz RZCFQVSLMHETCX-GFCCVEGCSA-N 1 0 395.301 2.115 20 0 GEADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293473270 532927404 /nfs/dbraw/zinc/92/74/04/532927404.db2.gz QSZFNPGTKSKQSE-MLGOLLRUSA-N 1 0 375.270 2.459 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000367831482 532927661 /nfs/dbraw/zinc/92/76/61/532927661.db2.gz IECCETIAKQVSMP-ZDUSSCGKSA-N 1 0 380.491 2.108 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(Br)n1 ZINC000293501342 532927788 /nfs/dbraw/zinc/92/77/88/532927788.db2.gz XFHYJKAVLZILGX-QGZVFWFLSA-N 1 0 395.301 2.035 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293567948 532928910 /nfs/dbraw/zinc/92/89/10/532928910.db2.gz XVGFJUSXGFLFRI-WCQYABFASA-N 1 0 376.507 2.210 20 0 GEADRO Cc1csc(N2CCC([NH2+]C[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)CC2)n1 ZINC000368038377 532929525 /nfs/dbraw/zinc/92/95/25/532929525.db2.gz CJFORGGDYPCGBJ-HOCLYGCPSA-N 1 0 386.587 2.118 20 0 GEADRO C[C@H]1CN(C(=O)Cc2cc[nH]c(=O)c2Br)CC[N@@H+](C2CCC2)C1 ZINC000293647603 532929791 /nfs/dbraw/zinc/92/97/91/532929791.db2.gz HYOMEWNKJOVGIB-GFCCVEGCSA-N 1 0 382.302 2.425 20 0 GEADRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000368114178 532930081 /nfs/dbraw/zinc/93/00/81/532930081.db2.gz WPCWYADQLJHEOK-ZBFHGGJFSA-N 1 0 381.318 2.127 20 0 GEADRO CC(C)[NH+](CCCNC(=O)c1cnn(C)c1I)C(C)C ZINC000293359585 532925681 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AYSAKOFYOQNRTN-UHFFFAOYSA-N 1 0 382.555 2.394 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1-n1cncn1 ZINC000371362953 532947616 /nfs/dbraw/zinc/94/76/16/532947616.db2.gz BEPNUXDSMQIOAV-UONOGXRCSA-N 1 0 390.285 2.386 20 0 GEADRO CSCCC[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000371423401 532948071 /nfs/dbraw/zinc/94/80/71/532948071.db2.gz ZYZYUAJXVQRMFD-UHFFFAOYSA-N 1 0 385.555 2.141 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000371511979 532948406 /nfs/dbraw/zinc/94/84/06/532948406.db2.gz UMPNROKGLJALBO-INIZCTEOSA-N 1 0 384.307 2.477 20 0 GEADRO CN(C(=O)c1cc(Br)cn1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371627853 532949155 /nfs/dbraw/zinc/94/91/55/532949155.db2.gz NCAMQXHAGZMOTI-HNNXBMFYSA-N 1 0 383.334 2.028 20 0 GEADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000371092261 532946924 /nfs/dbraw/zinc/94/69/24/532946924.db2.gz ZWKLQOXBENRBKD-UHFFFAOYSA-N 1 0 382.917 2.424 20 0 GEADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(Br)nc2)C1 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CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736530655 598263965 /nfs/dbraw/zinc/26/39/65/598263965.db2.gz LYKDUZREEWGQBZ-UHFFFAOYSA-N 1 0 395.895 2.342 20 0 GEADRO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000735665414 598285360 /nfs/dbraw/zinc/28/53/60/598285360.db2.gz WAPQLJJXMZYCLL-HNNXBMFYSA-N 1 0 392.471 2.028 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000738099879 598301120 /nfs/dbraw/zinc/30/11/20/598301120.db2.gz JPRXJPDWPBGETF-GOSISDBHSA-N 1 0 380.427 2.287 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000738385977 598312926 /nfs/dbraw/zinc/31/29/26/598312926.db2.gz KCHXRZRGKFDNEK-ICSRJNTNSA-N 1 0 395.463 2.070 20 0 GEADRO CCCC[NH+](CCCC)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000736457414 598334724 /nfs/dbraw/zinc/33/47/24/598334724.db2.gz UIPASZLGEWEKCN-UHFFFAOYSA-N 1 0 399.499 2.491 20 0 GEADRO CCCn1cc(CN2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000736502926 598349189 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377.905 2.385 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000737833457 598653694 /nfs/dbraw/zinc/65/36/94/598653694.db2.gz SFGQYOABWLLMTJ-ZWKOTPCHSA-N 1 0 384.484 2.159 20 0 GEADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1sccc1-c1nn[nH]n1 ZINC000738047788 598671691 /nfs/dbraw/zinc/67/16/91/598671691.db2.gz AZYVDYKSAHRPTE-HNNXBMFYSA-N 1 0 382.493 2.223 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736569448 598689492 /nfs/dbraw/zinc/68/94/92/598689492.db2.gz HISCMYHTCBMNRE-UHFFFAOYSA-N 1 0 396.451 2.207 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000736571449 598694104 /nfs/dbraw/zinc/69/41/04/598694104.db2.gz RNSZBLNGMZQYCS-QAPCUYQASA-N 1 0 386.500 2.261 20 0 GEADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1sccc1-c1nn[nH]n1 ZINC000738110910 598697782 /nfs/dbraw/zinc/69/77/82/598697782.db2.gz WMUKLJWXQGNXDO-UHFFFAOYSA-N 1 0 398.492 2.333 20 0 GEADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H](C)O1 ZINC000736407404 598706386 /nfs/dbraw/zinc/70/63/86/598706386.db2.gz GSTAVSQAWJLCIY-DGCLKSJQSA-N 1 0 378.864 2.348 20 0 GEADRO C[C@@H](CNC(=O)NCc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000736018891 598715425 /nfs/dbraw/zinc/71/54/25/598715425.db2.gz XININSODZGWPKQ-HNNXBMFYSA-N 1 0 379.468 2.186 20 0 GEADRO c1c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c(-c2nn[nH]n2)c2ccccn12 ZINC000738444976 598760228 /nfs/dbraw/zinc/76/02/28/598760228.db2.gz AQBBDIZGCDLAIP-UHFFFAOYSA-N 1 0 389.467 2.037 20 0 GEADRO CC(C)N(C(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000735850428 598766441 /nfs/dbraw/zinc/76/64/41/598766441.db2.gz DVYRLJHVJPTODA-UHFFFAOYSA-N 1 0 386.500 2.355 20 0 GEADRO CN(C)c1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736766852 598805458 /nfs/dbraw/zinc/80/54/58/598805458.db2.gz GHXWFGBBHIJHCD-UHFFFAOYSA-N 1 0 393.495 2.137 20 0 GEADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000735711222 598811519 /nfs/dbraw/zinc/81/15/19/598811519.db2.gz WTWZAHMHHZZOOS-QGZVFWFLSA-N 1 0 395.467 2.370 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736848952 598814582 /nfs/dbraw/zinc/81/45/82/598814582.db2.gz POQJNSBWCZUGMT-HNNXBMFYSA-N 1 0 392.463 2.127 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C=Cc1cncc(F)c1 ZINC000736767520 598817770 /nfs/dbraw/zinc/81/77/70/598817770.db2.gz QQOJNEWNZOPNHE-YVMONPNESA-N 1 0 395.442 2.004 20 0 GEADRO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737866125 598819652 /nfs/dbraw/zinc/81/96/52/598819652.db2.gz WLJNAPCZUNPLNU-UHFFFAOYSA-N 1 0 392.463 2.101 20 0 GEADRO Cc1cc(C)cc([C@@H](O)C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000822196509 599304471 /nfs/dbraw/zinc/30/44/71/599304471.db2.gz LUXQMVYWKDZWKI-IBGZPJMESA-N 1 0 396.470 2.478 20 0 GEADRO CCOC(=O)CC[N@H+](CC1CC1)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821330453 599329857 /nfs/dbraw/zinc/32/98/57/599329857.db2.gz KVMJTKMLZBOIGH-UHFFFAOYSA-N 1 0 395.467 2.353 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000735907176 599352599 /nfs/dbraw/zinc/35/25/99/599352599.db2.gz XXDQHLGMKQDYNV-CQSZACIVSA-N 1 0 387.488 2.459 20 0 GEADRO CC[C@@H](C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](CC)CC ZINC000736312029 599373132 /nfs/dbraw/zinc/37/31/32/599373132.db2.gz DOBNRZVPYZHZLP-SFHVURJKSA-N 1 0 386.500 2.357 20 0 GEADRO C[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1cccc(Cl)c1 ZINC000820274320 599381614 /nfs/dbraw/zinc/38/16/14/599381614.db2.gz HCBWFYRBZJCEFH-ZBEGNZNMSA-N 1 0 386.843 2.104 20 0 GEADRO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821868097 599389022 /nfs/dbraw/zinc/38/90/22/599389022.db2.gz OEHCVCVYVFYOEK-KGLIPLIRSA-N 1 0 380.452 2.231 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCc1ccc(F)cc1 ZINC000820413463 599389411 /nfs/dbraw/zinc/38/94/11/599389411.db2.gz QLCRZNDONIZCTA-KBPBESRZSA-N 1 0 382.443 2.404 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)Nc1ccccc1F ZINC000820410344 599389679 /nfs/dbraw/zinc/38/96/79/599389679.db2.gz DSGPHQHVGZVYKB-RYUDHWBXSA-N 1 0 397.414 2.393 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)Nc1ccccc1 ZINC000820413531 599389871 /nfs/dbraw/zinc/38/98/71/599389871.db2.gz RNHTZYLBYNDPAI-QWHCGFSZSA-N 1 0 379.424 2.254 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1-c1nn[nH]n1 ZINC000821818016 599399568 /nfs/dbraw/zinc/39/95/68/599399568.db2.gz HOIVNKCAGPDVFY-UHFFFAOYSA-N 1 0 392.463 2.401 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CCCCCC1 ZINC000821581555 599404755 /nfs/dbraw/zinc/40/47/55/599404755.db2.gz OQJUMVUPBVKFLK-UHFFFAOYSA-N 1 0 389.479 2.460 20 0 GEADRO COc1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1-c1nn[nH]n1 ZINC000821809597 599406605 /nfs/dbraw/zinc/40/66/05/599406605.db2.gz PFNCBYUFRCYDAG-UHFFFAOYSA-N 1 0 379.468 2.025 20 0 GEADRO CCC(CC)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000820893533 599408527 /nfs/dbraw/zinc/40/85/27/599408527.db2.gz QFXVAWRJORYRHR-UHFFFAOYSA-N 1 0 386.500 2.392 20 0 GEADRO COc1ccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000821798954 599428833 /nfs/dbraw/zinc/42/88/33/599428833.db2.gz VHFFXIBLXFKJJG-UHFFFAOYSA-N 1 0 376.461 2.268 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000821804076 599439565 /nfs/dbraw/zinc/43/95/65/599439565.db2.gz JXXLHPQJZMNLRT-KRWDZBQOSA-N 1 0 378.436 2.161 20 0 GEADRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000820260882 599445638 /nfs/dbraw/zinc/44/56/38/599445638.db2.gz KIRNXUYVRGSHEH-KRWDZBQOSA-N 1 0 377.496 2.167 20 0 GEADRO COc1ccccc1O[C@H](C)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821903232 599458591 /nfs/dbraw/zinc/45/85/91/599458591.db2.gz DOENAQNLCGEOOM-CYBMUJFWSA-N 1 0 379.424 2.080 20 0 GEADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823237907 599465160 /nfs/dbraw/zinc/46/51/60/599465160.db2.gz FAZVUJJWRSWFBG-KRWDZBQOSA-N 1 0 395.442 2.080 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736234465 599477352 /nfs/dbraw/zinc/47/73/52/599477352.db2.gz JMGVOSQFTXOOCT-PZPSRYQVSA-N 1 0 380.427 2.410 20 0 GEADRO COC(=O)C1CC[NH+](CCCNc2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000821655532 599477658 /nfs/dbraw/zinc/47/76/58/599477658.db2.gz NDDCFXDEBHRXJD-UHFFFAOYSA-N 1 0 378.864 2.207 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000738432622 599486006 /nfs/dbraw/zinc/48/60/06/599486006.db2.gz KCWSDAZQCSLHDT-UHFFFAOYSA-N 1 0 385.435 2.049 20 0 GEADRO CC(C)(C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc2c(c1)OCO2 ZINC000735670183 599487997 /nfs/dbraw/zinc/48/79/97/599487997.db2.gz HQYQFDGFFKUVHP-UHFFFAOYSA-N 1 0 391.435 2.311 20 0 GEADRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000735625443 599488268 /nfs/dbraw/zinc/48/82/68/599488268.db2.gz FXPAWBQSGSAQKA-UHFFFAOYSA-N 1 0 398.471 2.004 20 0 GEADRO C[C@@H]1CN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820776708 599531201 /nfs/dbraw/zinc/53/12/01/599531201.db2.gz MWRXWDLLCUMFFY-CJNGLKHVSA-N 1 0 399.886 2.159 20 0 GEADRO CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)C[C@H]1C ZINC000821377477 599534320 /nfs/dbraw/zinc/53/43/20/599534320.db2.gz CPMDNTOSXTYKSF-CQSZACIVSA-N 1 0 399.474 2.409 20 0 GEADRO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@H]1C ZINC000821378622 599534476 /nfs/dbraw/zinc/53/44/76/599534476.db2.gz QHQZJHFTYSQVHZ-GFCCVEGCSA-N 1 0 384.406 2.433 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000821625871 599544550 /nfs/dbraw/zinc/54/45/50/599544550.db2.gz XGSOCVMUCWCAKJ-MRXNPFEDSA-N 1 0 392.511 2.021 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000821625870 599544817 /nfs/dbraw/zinc/54/48/17/599544817.db2.gz XGSOCVMUCWCAKJ-INIZCTEOSA-N 1 0 392.511 2.021 20 0 GEADRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820262248 599561510 /nfs/dbraw/zinc/56/15/10/599561510.db2.gz UAVHORZGDSZURH-CQSZACIVSA-N 1 0 382.447 2.023 20 0 GEADRO O=C(NCC[NH+]1CCCC1)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738076630 599562979 /nfs/dbraw/zinc/56/29/79/599562979.db2.gz WONBIQGEYQSQFD-UHFFFAOYSA-N 1 0 377.452 2.436 20 0 GEADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000823796462 599565919 /nfs/dbraw/zinc/56/59/19/599565919.db2.gz BRLMMCMJYFGYNO-CQSZACIVSA-N 1 0 379.468 2.328 20 0 GEADRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820711433 599571145 /nfs/dbraw/zinc/57/11/45/599571145.db2.gz YXZBCLVMDVRPMX-OAHLLOKOSA-N 1 0 384.484 2.111 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)o2)c1 ZINC000823738189 599577135 /nfs/dbraw/zinc/57/71/35/599577135.db2.gz PSIQSEBYPZGXOC-QGZVFWFLSA-N 1 0 394.483 2.367 20 0 GEADRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(-c2nn[nH]n2)c1 ZINC000737649633 599586807 /nfs/dbraw/zinc/58/68/07/599586807.db2.gz NPGOPOTVWHZWBV-AWEZNQCLSA-N 1 0 378.415 2.428 20 0 GEADRO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737335044 599590227 /nfs/dbraw/zinc/59/02/27/599590227.db2.gz PGWUWYJEMAABLQ-MRXNPFEDSA-N 1 0 378.480 2.354 20 0 GEADRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736302928 599591040 /nfs/dbraw/zinc/59/10/40/599591040.db2.gz IPZNXNGVMRBJJL-DYVFJYSZSA-N 1 0 383.427 2.365 20 0 GEADRO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321721 599635014 /nfs/dbraw/zinc/63/50/14/599635014.db2.gz LRJQVVLXCQCMMR-OAHLLOKOSA-N 1 0 384.484 2.079 20 0 GEADRO CCC[NH+]1CCC(N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000821109273 599638581 /nfs/dbraw/zinc/63/85/81/599638581.db2.gz FJDPPNUZRWCSGT-UHFFFAOYSA-N 1 0 382.472 2.223 20 0 GEADRO O=C(C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822993327 599641966 /nfs/dbraw/zinc/64/19/66/599641966.db2.gz REGAAHJVXHLPNZ-QGZVFWFLSA-N 1 0 392.463 2.344 20 0 GEADRO CC[C@@](C)([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1nc(C)cs1 ZINC000820854084 599645041 /nfs/dbraw/zinc/64/50/41/599645041.db2.gz RIWFSSQSMNVJSI-KBXCAEBGSA-N 1 0 388.497 2.286 20 0 GEADRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1)CC2 ZINC000820542852 599654965 /nfs/dbraw/zinc/65/49/65/599654965.db2.gz ROMCCOWMAKETHZ-XHSDSOJGSA-N 1 0 384.484 2.108 20 0 GEADRO CC[C@H](C(=O)OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[NH+](CC)CC ZINC000820847386 599662995 /nfs/dbraw/zinc/66/29/95/599662995.db2.gz CSABARNFUMMDTD-CQSZACIVSA-N 1 0 385.428 2.080 20 0 GEADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823791795 599689517 /nfs/dbraw/zinc/68/95/17/599689517.db2.gz IILAIDJTDLYVFV-UHFFFAOYSA-N 1 0 393.495 2.496 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1-c1nn[nH]n1 ZINC000820166367 607424362 /nfs/dbraw/zinc/42/43/62/607424362.db2.gz XAIQVSIEMGJUAZ-UHFFFAOYSA-N 1 0 385.472 2.213 20 0 GEADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2sccc2-c2nn[nH]n2)CC1 ZINC000824779010 607429902 /nfs/dbraw/zinc/42/99/02/607429902.db2.gz RYFJBNDTYCVRAE-LBPRGKRZSA-N 1 0 383.481 2.279 20 0 GEADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824778155 607430019 /nfs/dbraw/zinc/43/00/19/607430019.db2.gz NVZBTFNYBICHKU-OAHLLOKOSA-N 1 0 391.479 2.146 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1-c1nn[nH]n1 ZINC000820165190 607432529 /nfs/dbraw/zinc/43/25/29/607432529.db2.gz OEHWZGZXSAJRHY-HNNXBMFYSA-N 1 0 385.472 2.356 20 0 GEADRO COCC(C)(C)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1 ZINC000821680268 607449104 /nfs/dbraw/zinc/44/91/04/607449104.db2.gz FBDPKTBFAGMVNC-UHFFFAOYSA-N 1 0 389.504 2.353 20 0 GEADRO C[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000824941601 607450012 /nfs/dbraw/zinc/45/00/12/607450012.db2.gz YTMNIZMTPMMMBD-CABCVRRESA-N 1 0 383.500 2.418 20 0 GEADRO Cc1sc(NC(=O)C[NH2+][C@](C)(CO)C2CCCCC2)c(-c2nn[nH]n2)c1C ZINC000822564108 607453042 /nfs/dbraw/zinc/45/30/42/607453042.db2.gz UIGCXCRIMSYAJO-GOSISDBHSA-N 1 0 392.529 2.404 20 0 GEADRO COC(=O)[C@H]1CC12CC[NH+](CCCC[NH+]1CCC3(C[C@H]3C(=O)[O-])CC1)CC2 ZINC000737578080 600714433 /nfs/dbraw/zinc/71/44/33/600714433.db2.gz OWJJPSFBQOEQEH-DLBZAZTESA-N 1 0 378.513 2.228 20 0 GEADRO O=C([O-])C1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000833191514 600890539 /nfs/dbraw/zinc/89/05/39/600890539.db2.gz HTPIJLGUPIDXDD-FQEVSTJZSA-N 1 0 387.524 2.344 20 0 GEADRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)N2CCOCC2)cc1 ZINC000822230249 607475558 /nfs/dbraw/zinc/47/55/58/607475558.db2.gz AGTYNFQHFURURZ-HXUWFJFHSA-N 1 0 396.470 2.477 20 0 GEADRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)ncn1 ZINC000821470454 607480422 /nfs/dbraw/zinc/48/04/22/607480422.db2.gz PJOZTQRROMXXRN-MRXNPFEDSA-N 1 0 382.447 2.117 20 0 GEADRO COc1ccc(CN2CC[NH+](CCc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826194933 607480605 /nfs/dbraw/zinc/48/06/05/607480605.db2.gz ATHGCTCTICSQTK-UHFFFAOYSA-N 1 0 378.480 2.236 20 0 GEADRO COc1ccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1-c1nn[nH]n1 ZINC000826192838 607482420 /nfs/dbraw/zinc/48/24/20/607482420.db2.gz DTEDTHBISBLADG-UHFFFAOYSA-N 1 0 394.479 2.344 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000829764884 601045038 /nfs/dbraw/zinc/04/50/38/601045038.db2.gz ASRRTGIBJXURAH-OAHLLOKOSA-N 1 0 380.464 2.404 20 0 GEADRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825285108 607488313 /nfs/dbraw/zinc/48/83/13/607488313.db2.gz JQEMRVZQGSBHNF-HOCLYGCPSA-N 1 0 386.500 2.392 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000820518919 607501604 /nfs/dbraw/zinc/50/16/04/607501604.db2.gz NMXKVCQBMSVGMP-QOKNQOGYSA-N 1 0 396.495 2.109 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826435223 607511523 /nfs/dbraw/zinc/51/15/23/607511523.db2.gz JGLVTGUUNQRHIZ-KRWDZBQOSA-N 1 0 377.452 2.046 20 0 GEADRO O=C(c1ncc(-c2nn[nH]n2)cc1Cl)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826475380 607514295 /nfs/dbraw/zinc/51/42/95/607514295.db2.gz DKNICWNHYQVYSH-NHYWBVRUSA-N 1 0 387.875 2.004 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1-c1nn[nH]n1 ZINC000826194719 607517556 /nfs/dbraw/zinc/51/75/56/607517556.db2.gz UGTFYGKGIIAFGG-OAHLLOKOSA-N 1 0 393.451 2.121 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000826182706 607518061 /nfs/dbraw/zinc/51/80/61/607518061.db2.gz RHEYFNAAESLUGM-QZTJIDSGSA-N 1 0 376.464 2.444 20 0 GEADRO O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826410253 607527961 /nfs/dbraw/zinc/52/79/61/607527961.db2.gz HXWZJWWJDCDIJZ-OLZOCXBDSA-N 1 0 390.875 2.207 20 0 GEADRO O=C([O-])CCC1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000662217245 601842075 /nfs/dbraw/zinc/84/20/75/601842075.db2.gz QVEHEJOZFKGISG-UHFFFAOYSA-N 1 0 387.524 2.475 20 0 GEADRO CN(C)c1ccc(NC(=O)CC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825915036 607529575 /nfs/dbraw/zinc/52/95/75/607529575.db2.gz SBPIUSHPQAQTQG-UHFFFAOYSA-N 1 0 379.468 2.393 20 0 GEADRO COc1ccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1-c1nn[nH]n1 ZINC000826202037 607532817 /nfs/dbraw/zinc/53/28/17/607532817.db2.gz MODAHJZETALMSE-KGLIPLIRSA-N 1 0 392.463 2.331 20 0 GEADRO CC[C@](C)(CC(=O)[O-])[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000828653171 602219925 /nfs/dbraw/zinc/21/99/25/602219925.db2.gz WJOIJAINXGVHCR-OAQYLSRUSA-N 1 0 375.513 2.262 20 0 GEADRO COc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1-c1nn[nH]n1 ZINC000826200318 607553447 /nfs/dbraw/zinc/55/34/47/607553447.db2.gz JZKWRSRBXMPRKG-UHFFFAOYSA-N 1 0 381.440 2.259 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000824047305 607556875 /nfs/dbraw/zinc/55/68/75/607556875.db2.gz ZTACGWAZICPZFZ-FRRDWIJNSA-N 1 0 390.875 2.206 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407046 607557153 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CC[NH+](CC)CCO[C@@H]1CCN(c2ncc(Cl)c(C)c2-c2nn[nH]n2)C1 ZINC000825411948 609566207 /nfs/dbraw/zinc/56/62/07/609566207.db2.gz ILXKNAQICWPMEM-CYBMUJFWSA-N 1 0 379.896 2.161 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826452617 609603845 /nfs/dbraw/zinc/60/38/45/609603845.db2.gz ZLAPRKNCSMFEHT-UHFFFAOYSA-N 1 0 399.499 2.223 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC[N@@H+]1C ZINC000446671988 649986209 /nfs/dbraw/zinc/98/62/09/649986209.db2.gz SSRMQAAJYATLSG-BXUZGUMPSA-N 1 0 394.313 2.475 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000447089441 649996935 /nfs/dbraw/zinc/99/69/35/649996935.db2.gz VYTVADWHAWXGLP-AWEZNQCLSA-N 1 0 392.297 2.183 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000447232308 650002810 /nfs/dbraw/zinc/00/28/10/650002810.db2.gz RITQJXWVZKUJBJ-UHFFFAOYSA-N 1 0 394.313 2.431 20 0 GEADRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000447244978 650003311 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C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2c(Br)cccc2cn1 ZINC000448929957 650026022 /nfs/dbraw/zinc/02/60/22/650026022.db2.gz OEMZILSDSKGQNC-CYBMUJFWSA-N 1 0 391.313 2.363 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000448939273 650026218 /nfs/dbraw/zinc/02/62/18/650026218.db2.gz BRMDIGMSQYZVCT-UHFFFAOYSA-N 1 0 378.274 2.196 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(CO)CCC1 ZINC000449237258 650034983 /nfs/dbraw/zinc/03/49/83/650034983.db2.gz AXGAGAIWCYDKQC-GFCCVEGCSA-N 1 0 385.302 2.215 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]CCc2c[nH]c3ccc(Br)cc23)nn1 ZINC000449240306 650035145 /nfs/dbraw/zinc/03/51/45/650035145.db2.gz NAFOTONLBILSFY-UHFFFAOYSA-N 1 0 392.257 2.027 20 0 GEADRO COc1nccc(C[NH2+]CCOc2ccc(I)cc2)n1 ZINC000449308392 650038180 /nfs/dbraw/zinc/03/81/80/650038180.db2.gz WTFIHRQPKLAJEH-UHFFFAOYSA-N 1 0 385.205 2.258 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000449319345 650038298 /nfs/dbraw/zinc/03/82/98/650038298.db2.gz GHZVDLNKNNVQCO-GFCCVEGCSA-N 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O=C1CC[C@@H]([NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)CCN1 ZINC000449692645 650046175 /nfs/dbraw/zinc/04/61/75/650046175.db2.gz BUGHHLDUVIPWGW-CQSZACIVSA-N 1 0 384.293 2.375 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000449700353 650046397 /nfs/dbraw/zinc/04/63/97/650046397.db2.gz QYIBMONSCAEWDT-CQSZACIVSA-N 1 0 382.302 2.073 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000449698468 650046445 /nfs/dbraw/zinc/04/64/45/650046445.db2.gz NUPYAPJKDJCXCU-IUODEOHRSA-N 1 0 394.313 2.306 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000449702053 650046455 /nfs/dbraw/zinc/04/64/55/650046455.db2.gz YAXBOELSADMHNH-SWLSCSKDSA-N 1 0 394.313 2.306 20 0 GEADRO COc1c(Br)cccc1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000449703004 650046786 /nfs/dbraw/zinc/04/67/86/650046786.db2.gz SYVUOLPCBDFPAO-HNNXBMFYSA-N 1 0 396.329 2.244 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449708933 650046947 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C[C@H]1C[N@H+](CCO)CCN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449785316 650050134 /nfs/dbraw/zinc/05/01/34/650050134.db2.gz FOSFNCJKEAITQZ-ZDUSSCGKSA-N 1 0 385.302 2.109 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2cccc(F)c2Br)C[C@@H]1C ZINC000449959608 650056857 /nfs/dbraw/zinc/05/68/57/650056857.db2.gz MREKTRONAAGBQH-QWHCGFSZSA-N 1 0 387.293 2.434 20 0 GEADRO O=c1[n-]nc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)o1 ZINC000450899822 650074861 /nfs/dbraw/zinc/07/48/61/650074861.db2.gz DVDONOQZDSOVCU-AAEUAGOBSA-N 1 0 398.257 2.157 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000451044354 650081478 /nfs/dbraw/zinc/08/14/78/650081478.db2.gz PRHPCAJJHNUZHT-GFCCVEGCSA-N 1 0 386.901 2.198 20 0 GEADRO Cc1csc(S(=O)(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000451054628 650082554 /nfs/dbraw/zinc/08/25/54/650082554.db2.gz JCENGIRRSNEMEV-UHFFFAOYSA-N 1 0 379.551 2.282 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000451144440 650090071 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GEADRO O[C@@H](CN1CCOCC1)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451296603 650101828 /nfs/dbraw/zinc/10/18/28/650101828.db2.gz PYNHMBVUSFZBFB-CYBMUJFWSA-N 1 0 379.448 2.034 20 0 GEADRO C[C@H]1CN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C[C@H]1[NH+](C)C ZINC000451313312 650102986 /nfs/dbraw/zinc/10/29/86/650102986.db2.gz VPBHKMHJRKCFRX-IINYFYTJSA-N 1 0 379.295 2.300 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000451341194 650105164 /nfs/dbraw/zinc/10/51/64/650105164.db2.gz LRPOEFIZOGNMSB-KLHDSHLOSA-N 1 0 380.501 2.325 20 0 GEADRO C[C@H]([N@H+](C)CC(=O)Nc1ccc(I)cc1)C(C)(C)O ZINC000451360078 650107202 /nfs/dbraw/zinc/10/72/02/650107202.db2.gz KGHDUTQHZDHVBR-JTQLQIEISA-N 1 0 376.238 2.321 20 0 GEADRO C[C@@H]1[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)CCC[N@@H+]1C ZINC000451393096 650110725 /nfs/dbraw/zinc/11/07/25/650110725.db2.gz LBJQOZORXNGNER-QMTHXVAHSA-N 1 0 379.295 2.490 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451425945 650112929 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GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000452053201 650169491 /nfs/dbraw/zinc/16/94/91/650169491.db2.gz XHSJMXCPTNYDTO-UHFFFAOYSA-N 1 0 389.949 2.043 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)c(F)cc1F ZINC000452364537 650181990 /nfs/dbraw/zinc/18/19/90/650181990.db2.gz MUWFUHWUGZZOHD-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452372109 650182681 /nfs/dbraw/zinc/18/26/81/650182681.db2.gz URLGRCZCGYPYKR-AWEZNQCLSA-N 1 0 394.313 2.436 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452379483 650182907 /nfs/dbraw/zinc/18/29/07/650182907.db2.gz CJICGKBVDHSAHF-LLVKDONJSA-N 1 0 391.256 2.233 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000452379789 650182984 /nfs/dbraw/zinc/18/29/84/650182984.db2.gz RIIYTKFRHSUDEW-HNNXBMFYSA-N 1 0 384.318 2.092 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)c2c1OCCC2 ZINC000452382457 650183519 /nfs/dbraw/zinc/18/35/19/650183519.db2.gz MFHPEPWAROPQHM-CYBMUJFWSA-N 1 0 397.313 2.351 20 0 GEADRO O=C(CCOc1ccccc1Br)NC[C@H]1CCC[N@H+]1CCCO ZINC000452781495 650197480 /nfs/dbraw/zinc/19/74/80/650197480.db2.gz IPNPZRDDWVEQQS-CQSZACIVSA-N 1 0 385.302 2.181 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(F)c(I)c1 ZINC000453105156 650205860 /nfs/dbraw/zinc/20/58/60/650205860.db2.gz FFRMZKZUHIRCHJ-WCQYABFASA-N 1 0 391.272 2.327 20 0 GEADRO CO[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C12CCC2 ZINC000453214739 650207007 /nfs/dbraw/zinc/20/70/07/650207007.db2.gz NGJXXQTZZZPOIC-CABCVRRESA-N 1 0 376.881 2.305 20 0 GEADRO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000453212407 650207043 /nfs/dbraw/zinc/20/70/43/650207043.db2.gz PAFSEMWMBFJYFJ-CVEARBPZSA-N 1 0 382.555 2.270 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453647289 650211972 /nfs/dbraw/zinc/21/19/72/650211972.db2.gz AVKWKMOMYUXHBP-WDEREUQCSA-N 1 0 386.265 2.434 20 0 GEADRO CSC[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000453277937 650207521 /nfs/dbraw/zinc/20/75/21/650207521.db2.gz ONCPQCZXZFCPME-ZIAGYGMSSA-N 1 0 383.457 2.249 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000453275464 650207582 /nfs/dbraw/zinc/20/75/82/650207582.db2.gz FFQXHBLBQCIRCY-TVQRCGJNSA-N 1 0 379.295 2.493 20 0 GEADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453312642 650207954 /nfs/dbraw/zinc/20/79/54/650207954.db2.gz HDRAAFSEKXESHG-GPCCPHFNSA-N 1 0 397.324 2.343 20 0 GEADRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cn1 ZINC000453403764 650208769 /nfs/dbraw/zinc/20/87/69/650208769.db2.gz OUCVEVWMRQMVJU-NSHDSACASA-N 1 0 399.314 2.088 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000453563951 650209114 /nfs/dbraw/zinc/20/91/14/650209114.db2.gz ACBDODBNMVIMIH-GFCCVEGCSA-N 1 0 397.317 2.472 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453586323 650209502 /nfs/dbraw/zinc/20/95/02/650209502.db2.gz YGZHBEZKDYJQLN-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c1Br ZINC000453603831 650210356 /nfs/dbraw/zinc/21/03/56/650210356.db2.gz VGJMKFMBBFAKQV-VIFPVBQESA-N 1 0 376.682 2.416 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000453650994 650212238 /nfs/dbraw/zinc/21/22/38/650212238.db2.gz MOZOYXZXYIURBN-ZDUSSCGKSA-N 1 0 395.301 2.035 20 0 GEADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453644754 650211720 /nfs/dbraw/zinc/21/17/20/650211720.db2.gz NNWGFHRMSCMCAW-UHFFFAOYSA-N 1 0 391.269 2.148 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000453671953 650214425 /nfs/dbraw/zinc/21/44/25/650214425.db2.gz NPUWNZAMLRMKLA-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000453681381 650215027 /nfs/dbraw/zinc/21/50/27/650215027.db2.gz ZTNQAOWULWYIJU-OLZOCXBDSA-N 1 0 383.290 2.080 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)cc(C(F)(F)F)c3)C[C@@H]21 ZINC000453914026 650235719 /nfs/dbraw/zinc/23/57/19/650235719.db2.gz HMCMUHRKMOSXPW-RNCFNFMXSA-N 1 0 375.778 2.460 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000454093417 650252289 /nfs/dbraw/zinc/25/22/89/650252289.db2.gz KJJMZYNSKFKACG-GFCCVEGCSA-N 1 0 386.265 2.468 20 0 GEADRO C[N@H+](CCCCNC(=O)C(=O)N1CCc2ccc(Br)cc21)C1CC1 ZINC000454115208 650254612 /nfs/dbraw/zinc/25/46/12/650254612.db2.gz WSDPMANSRXBCBV-UHFFFAOYSA-N 1 0 394.313 2.329 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(F)c(Br)c1 ZINC000454480527 650267687 /nfs/dbraw/zinc/26/76/87/650267687.db2.gz GYVAJAXGAJXWQG-DGCLKSJQSA-N 1 0 387.297 2.194 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC000454497887 650268122 /nfs/dbraw/zinc/26/81/22/650268122.db2.gz IDEJVHVBZXXAEV-HNNXBMFYSA-N 1 0 386.338 2.492 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000454511456 650268568 /nfs/dbraw/zinc/26/85/68/650268568.db2.gz ITKMUBKECQENEP-UHFFFAOYSA-N 1 0 398.280 2.383 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000454536959 650268995 /nfs/dbraw/zinc/26/89/95/650268995.db2.gz LSQWTRKDJPSDET-OAHLLOKOSA-N 1 0 398.280 2.424 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@@H]1CS(C)(=O)=O)CC(C)C ZINC000454622262 650273885 /nfs/dbraw/zinc/27/38/85/650273885.db2.gz QWSZETAQUHLAQE-SJORKVTESA-N 1 0 375.579 2.352 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000454640145 650274236 /nfs/dbraw/zinc/27/42/36/650274236.db2.gz JHOWQQJPFAWVGV-HIFRSBDPSA-N 1 0 387.933 2.286 20 0 GEADRO CC(C)[NH+](CCCNC(=O)NC1CCC(CS(C)(=O)=O)CC1)C(C)C ZINC000454645129 650274303 /nfs/dbraw/zinc/27/43/03/650274303.db2.gz HFXURACBYIUXCD-UHFFFAOYSA-N 1 0 375.579 2.398 20 0 GEADRO COc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000454704067 650276885 /nfs/dbraw/zinc/27/68/85/650276885.db2.gz VJYPMYQECSXKEP-LBPRGKRZSA-N 1 0 386.290 2.426 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000454740747 650277672 /nfs/dbraw/zinc/27/76/72/650277672.db2.gz SAXYVIRDVJEBKZ-UHFFFAOYSA-N 1 0 398.280 2.383 20 0 GEADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(I)cn1 ZINC000455023000 650287313 /nfs/dbraw/zinc/28/73/13/650287313.db2.gz WTXOEDUMGDSNPD-GFCCVEGCSA-N 1 0 375.254 2.392 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@H]1CCC(=O)NC1 ZINC000455115112 650291048 /nfs/dbraw/zinc/29/10/48/650291048.db2.gz HCEATSRGOILJSK-OAHLLOKOSA-N 1 0 396.329 2.256 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000455135780 650291392 /nfs/dbraw/zinc/29/13/92/650291392.db2.gz HKLOFVANFYWTTL-UHFFFAOYSA-N 1 0 381.278 2.492 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[NH+](C)C)nn1-c1ccc(Cl)cc1Cl ZINC000537447576 650292952 /nfs/dbraw/zinc/29/29/52/650292952.db2.gz AZGQPQHCXYJCKF-UHFFFAOYSA-N 1 0 384.267 2.104 20 0 GEADRO C[C@@H](CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1)[NH+](C)C ZINC000455443396 650304326 /nfs/dbraw/zinc/30/43/26/650304326.db2.gz PVPDTCIYQRRDPB-LBPRGKRZSA-N 1 0 389.363 2.288 20 0 GEADRO C[C@H](CNC(=O)Nc1nnc2ccc(Br)cn21)C[NH+]1CCCCC1 ZINC000455763207 650317226 /nfs/dbraw/zinc/31/72/26/650317226.db2.gz QKHLTPWGYBHIPB-GFCCVEGCSA-N 1 0 395.305 2.735 20 0 GEADRO CC1CC[NH+](CCCNC(=O)Nc2nnc3ccc(Br)cn32)CC1 ZINC000455765155 650317534 /nfs/dbraw/zinc/31/75/34/650317534.db2.gz TYLZKWYIUKWRHS-UHFFFAOYSA-N 1 0 395.305 2.735 20 0 GEADRO CC(C)(CNC(=O)Nc1nc2cc(Br)ccn2n1)[NH+]1CCCCC1 ZINC000455852135 650322061 /nfs/dbraw/zinc/32/20/61/650322061.db2.gz WAIPVWMCVDDQHX-UHFFFAOYSA-N 1 0 395.305 2.878 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)Nc1nc2cc(Br)ccn2n1)C(C)(C)C ZINC000455858515 650322467 /nfs/dbraw/zinc/32/24/67/650322467.db2.gz JOPRNABAPSLLIZ-GFCCVEGCSA-N 1 0 397.321 2.980 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000455865104 650323803 /nfs/dbraw/zinc/32/38/03/650323803.db2.gz SKQGFFBOWCZQTK-UHFFFAOYSA-N 1 0 395.305 2.735 20 0 GEADRO CC[C@@H]1CN(C(=O)Nc2cc(Br)cnc2C)CC[N@@H+]1C[C@@H](C)O ZINC000455805796 650318769 /nfs/dbraw/zinc/31/87/69/650318769.db2.gz QTIHZVRUZQYODK-BXUZGUMPSA-N 1 0 385.306 2.461 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)cn2)C1 ZINC000455906593 650325656 /nfs/dbraw/zinc/32/56/56/650325656.db2.gz GBEKRULHIBAKQM-LBPRGKRZSA-N 1 0 387.265 2.394 20 0 GEADRO CCS(=O)(=O)Cc1ccc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000455966322 650327076 /nfs/dbraw/zinc/32/70/76/650327076.db2.gz HJKASEPJRFGRTK-CVEARBPZSA-N 1 0 385.555 2.131 20 0 GEADRO C[NH+](C)CCCC(C)(C)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000456205527 650334016 /nfs/dbraw/zinc/33/40/16/650334016.db2.gz PZNSDPBJCQHRIZ-UHFFFAOYSA-N 1 0 384.318 2.416 20 0 GEADRO Cc1ccc(OCCC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(Br)c1 ZINC000456208369 650334087 /nfs/dbraw/zinc/33/40/87/650334087.db2.gz ICBRPVWQHMYQON-GASCZTMLSA-N 1 0 399.329 2.440 20 0 GEADRO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456480302 650342222 /nfs/dbraw/zinc/34/22/22/650342222.db2.gz GDOUOUVYGCSKHQ-LBPRGKRZSA-N 1 0 375.282 2.196 20 0 GEADRO CC[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456709964 650356570 /nfs/dbraw/zinc/35/65/70/650356570.db2.gz GBIXGHAOMXEPIM-WFASDCNBSA-N 1 0 375.282 2.196 20 0 GEADRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456719560 650358652 /nfs/dbraw/zinc/35/86/52/650358652.db2.gz NDECKVZXJRTGTJ-CYBMUJFWSA-N 1 0 375.282 2.196 20 0 GEADRO Cc1nc(NCC[C@H](O)C(F)(F)F)cc(NCC[C@H](O)C(F)(F)F)[nH+]1 ZINC000540975351 650375084 /nfs/dbraw/zinc/37/50/84/650375084.db2.gz UPFZCXMYBUUKGY-IUCAKERBSA-N 1 0 376.301 2.235 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1OC(F)F ZINC000500563072 650380421 /nfs/dbraw/zinc/38/04/21/650380421.db2.gz WHAXSOHWPAKBNF-QWHCGFSZSA-N 1 0 378.441 2.104 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000500492612 650379278 /nfs/dbraw/zinc/37/92/78/650379278.db2.gz WGJLKTWEROBWTH-HNNXBMFYSA-N 1 0 389.924 2.270 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000500530705 650380101 /nfs/dbraw/zinc/38/01/01/650380101.db2.gz QFTYKPZUQJMLSF-BXUZGUMPSA-N 1 0 379.295 2.396 20 0 GEADRO C[C@@]1(n2cc(C[NH2+][C@@H]3CCCC[C@H]3OC(F)F)cn2)CCS(=O)(=O)C1 ZINC000500569642 650380718 /nfs/dbraw/zinc/38/07/18/650380718.db2.gz ZQEKCCWMHVTVEI-IIAWOOMASA-N 1 0 377.457 2.057 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)CC[N@@H+]1C ZINC000500937151 650385114 /nfs/dbraw/zinc/38/51/14/650385114.db2.gz ZALLYQIRPJWNHX-NEPJUHHUSA-N 1 0 390.347 2.276 20 0 GEADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000500967111 650385373 /nfs/dbraw/zinc/38/53/73/650385373.db2.gz RJVHPPPFFOKWQE-NSHDSACASA-N 1 0 378.336 2.134 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)CC1 ZINC000501360602 650390599 /nfs/dbraw/zinc/39/05/99/650390599.db2.gz HDLXYHHEBRJORM-CQSZACIVSA-N 1 0 380.330 2.360 20 0 GEADRO O=C(NCCc1ccccc1Br)NC[C@H]1CCC[N@H+]1CCCO ZINC000458093104 650395031 /nfs/dbraw/zinc/39/50/31/650395031.db2.gz GSZMOZDSPSWIBK-OAHLLOKOSA-N 1 0 384.318 2.138 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000458090516 650395043 /nfs/dbraw/zinc/39/50/43/650395043.db2.gz AZPFQQIJUPWVOQ-CYBMUJFWSA-N 1 0 388.281 2.234 20 0 GEADRO O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000458115408 650396030 /nfs/dbraw/zinc/39/60/30/650396030.db2.gz RXRQJTOGOSHBPA-CXAGYDPISA-N 1 0 399.304 2.482 20 0 GEADRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458165585 650398436 /nfs/dbraw/zinc/39/84/36/650398436.db2.gz ZTBGTQGFSLSWKJ-CYBMUJFWSA-N 1 0 375.282 2.196 20 0 GEADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000458719315 650409130 /nfs/dbraw/zinc/40/91/30/650409130.db2.gz VVCGKKSPSOQPFI-CQSZACIVSA-N 1 0 387.933 2.369 20 0 GEADRO C[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2)C[C@H](C)[N@H+]1CCO ZINC000458408838 650402630 /nfs/dbraw/zinc/40/26/30/650402630.db2.gz XCLULYVUNUJVGQ-OKILXGFUSA-N 1 0 384.318 2.088 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(OC)c(Br)c3)[C@H]2C1 ZINC000502555213 650408342 /nfs/dbraw/zinc/40/83/42/650408342.db2.gz PGQVAXLJFKCQAE-GOEBONIOSA-N 1 0 383.286 2.393 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000458706524 650408422 /nfs/dbraw/zinc/40/84/22/650408422.db2.gz DHLQOAQQOOOJFL-CQSZACIVSA-N 1 0 387.933 2.368 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc(C)c2Br)C[C@H]1[NH+](C)C ZINC000503218549 650416233 /nfs/dbraw/zinc/41/62/33/650416233.db2.gz DAIPPILKKUGQDZ-NEPJUHHUSA-N 1 0 393.372 2.424 20 0 GEADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000502944419 650413098 /nfs/dbraw/zinc/41/30/98/650413098.db2.gz QBNPWXUXICRYOE-QGZVFWFLSA-N 1 0 396.285 2.455 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)c(Br)c2)C[C@H]1[NH+](C)C ZINC000503221409 650416409 /nfs/dbraw/zinc/41/64/09/650416409.db2.gz JRTNBAIHJXZAOQ-KGLIPLIRSA-N 1 0 393.372 2.424 20 0 GEADRO C[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000502975621 650413375 /nfs/dbraw/zinc/41/33/75/650413375.db2.gz VYKALPUTAZBBPE-HNNXBMFYSA-N 1 0 381.318 2.375 20 0 GEADRO COC(=O)[C@]1(C)C[N@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@H]1C ZINC000503192728 650415395 /nfs/dbraw/zinc/41/53/95/650415395.db2.gz IHYXRFSDHTVEEY-SUYBPPKGSA-N 1 0 386.286 2.320 20 0 GEADRO CN1CCN(C(=O)C[NH+]2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000503436141 650417423 /nfs/dbraw/zinc/41/74/23/650417423.db2.gz NEHMUAYUNPTVMZ-UHFFFAOYSA-N 1 0 380.330 2.403 20 0 GEADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000503447259 650417591 /nfs/dbraw/zinc/41/75/91/650417591.db2.gz PETWMZHIFWRIQZ-JSGCOSHPSA-N 1 0 391.946 2.190 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cnc(C(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000503473397 650418232 /nfs/dbraw/zinc/41/82/32/650418232.db2.gz NWXWHMIRMGYZJH-AWEZNQCLSA-N 1 0 387.571 2.238 20 0 GEADRO Cc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000459163079 650420376 /nfs/dbraw/zinc/42/03/76/650420376.db2.gz AXDULRFEKCDARL-HNNXBMFYSA-N 1 0 384.318 2.404 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000503685403 650421515 /nfs/dbraw/zinc/42/15/15/650421515.db2.gz NOPRFQWDATVCHU-LLVKDONJSA-N 1 0 391.256 2.233 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000459275205 650421950 /nfs/dbraw/zinc/42/19/50/650421950.db2.gz ABNKKCBOXIEUAD-ZDUSSCGKSA-N 1 0 397.317 2.419 20 0 GEADRO C[C@@H]1NC(=O)N(CC[N@H+]2CC=C(c3cccc(Br)c3)CC2)C1=O ZINC000459394830 650423784 /nfs/dbraw/zinc/42/37/84/650423784.db2.gz BIYZPFGIMKVHAX-LBPRGKRZSA-N 1 0 378.270 2.479 20 0 GEADRO CC(C)S(=O)(=O)N1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459416644 650423954 /nfs/dbraw/zinc/42/39/54/650423954.db2.gz GTCFARHGYAOXLZ-UHFFFAOYSA-N 1 0 391.331 2.447 20 0 GEADRO CCOc1cc(C[NH2+]Cc2ccc(C(N)=O)nc2)cc(Br)c1O ZINC000459444350 650424524 /nfs/dbraw/zinc/42/45/24/650424524.db2.gz NRJAJJCWWFERNI-UHFFFAOYSA-N 1 0 380.242 2.337 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)[C@@H]1SC ZINC000459450049 650424841 /nfs/dbraw/zinc/42/48/41/650424841.db2.gz OAPHPZFJGGQOAR-NFAWXSAZSA-N 1 0 378.585 2.142 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)[C@H]1Sc1ccccc1 ZINC000459449857 650424924 /nfs/dbraw/zinc/42/49/24/650424924.db2.gz ZYBJYZANDSSHDZ-BZZMCLGOSA-N 1 0 384.567 2.338 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)[NH+](C)C ZINC000504019708 650425552 /nfs/dbraw/zinc/42/55/52/650425552.db2.gz NDEBZVKEIOHZEZ-SECBINFHSA-N 1 0 381.782 2.286 20 0 GEADRO C[NH+](C)C1(CNc2ncc(Br)cc2S(N)(=O)=O)CCCCC1 ZINC000504027014 650425825 /nfs/dbraw/zinc/42/58/25/650425825.db2.gz ROJVWTYSOAMEEY-UHFFFAOYSA-N 1 0 391.335 2.168 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc(Br)cc1S(N)(=O)=O ZINC000504023991 650425829 /nfs/dbraw/zinc/42/58/29/650425829.db2.gz OMOYKJABUJSIPF-LLVKDONJSA-N 1 0 393.351 2.414 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc(Br)cc1S(N)(=O)=O ZINC000504039007 650426046 /nfs/dbraw/zinc/42/60/46/650426046.db2.gz ADIIGQZIMIJTML-LLVKDONJSA-N 1 0 391.335 2.168 20 0 GEADRO C[N@H+](CCNc1ncc(Br)cc1S(N)(=O)=O)Cc1ccccc1 ZINC000504053871 650426562 /nfs/dbraw/zinc/42/65/62/650426562.db2.gz OJZFFFGZIUOFEU-UHFFFAOYSA-N 1 0 399.314 2.035 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@H]1SC ZINC000459518549 650427026 /nfs/dbraw/zinc/42/70/26/650427026.db2.gz CJCFOUADXADLOA-GZBFAFLISA-N 1 0 396.937 2.256 20 0 GEADRO O[C@@H](C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)Cn1ccnn1 ZINC000459699668 650429877 /nfs/dbraw/zinc/42/98/77/650429877.db2.gz OTANSHHRTIOXJC-ZDUSSCGKSA-N 1 0 394.298 2.315 20 0 GEADRO O=C(C[NH2+]C1(CO)CCSCC1)NCc1ccc(F)cc1C(F)(F)F ZINC000459700795 650429915 /nfs/dbraw/zinc/42/99/15/650429915.db2.gz BJVURPGEWKRJQS-UHFFFAOYSA-N 1 0 380.407 2.308 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](CO)c1ccnn1C ZINC000459702806 650430106 /nfs/dbraw/zinc/43/01/06/650430106.db2.gz FVXBZGAZKVBKPV-SMDDNHRTSA-N 1 0 381.274 2.223 20 0 GEADRO OCC1([NH2+]C[C@@H](O)COc2cccc(Br)c2)CCSCC1 ZINC000459720113 650431356 /nfs/dbraw/zinc/43/13/56/650431356.db2.gz WWYUAQBPCFYBAU-CYBMUJFWSA-N 1 0 376.316 2.037 20 0 GEADRO CS[C@@H]1CN(C(=O)C2CCN(CC(F)(F)F)CC2)C[C@H]1[NH+]1CCCC1 ZINC000504873396 650433408 /nfs/dbraw/zinc/43/34/08/650433408.db2.gz SVDXCPMGTOTMLU-HUUCEWRRSA-N 1 0 379.492 2.299 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](SC)C1 ZINC000459874734 650434673 /nfs/dbraw/zinc/43/46/73/650434673.db2.gz LBJHBBDUADMEKZ-HNNXBMFYSA-N 1 0 383.583 2.382 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000459945258 650436288 /nfs/dbraw/zinc/43/62/88/650436288.db2.gz KYJXDWYMKNJCJZ-UHFFFAOYSA-N 1 0 396.329 2.350 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000459974077 650437476 /nfs/dbraw/zinc/43/74/76/650437476.db2.gz NSCUCBGDGVJLQB-UHFFFAOYSA-N 1 0 384.318 2.208 20 0 GEADRO OCC[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1CCOCC1 ZINC000461412258 650453640 /nfs/dbraw/zinc/45/36/40/650453640.db2.gz ADDLHPZJLYWQKJ-HNNXBMFYSA-N 1 0 386.286 2.488 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1)CC(C)C ZINC000507053893 650454198 /nfs/dbraw/zinc/45/41/98/650454198.db2.gz MVOMUPLCJMIDTI-DLBZAZTESA-N 1 0 375.579 2.352 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccncc2Br)CC1 ZINC000507213368 650456378 /nfs/dbraw/zinc/45/63/78/650456378.db2.gz IRPWIEIZNBTXTN-UHFFFAOYSA-N 1 0 385.306 2.277 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000461635291 650457895 /nfs/dbraw/zinc/45/78/95/650457895.db2.gz GMEANHXASIFMPR-ZDUSSCGKSA-N 1 0 384.318 2.416 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000461980275 650463391 /nfs/dbraw/zinc/46/33/91/650463391.db2.gz BDVPEJJGCCNOLR-TZMCWYRMSA-N 1 0 386.323 2.451 20 0 GEADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000462040369 650464844 /nfs/dbraw/zinc/46/48/44/650464844.db2.gz RFWCRMFLIJDSBC-DZGCQCFKSA-N 1 0 396.329 2.256 20 0 GEADRO CC[N@@H+]1CCCN(S(=O)(=O)CCc2ccccc2Br)CC1 ZINC000462084587 650466403 /nfs/dbraw/zinc/46/64/03/650466403.db2.gz NZVHQENONRZCLF-UHFFFAOYSA-N 1 0 375.332 2.349 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000462111097 650469494 /nfs/dbraw/zinc/46/94/94/650469494.db2.gz KEJBCJJGPBIIBR-NSHDSACASA-N 1 0 386.461 2.138 20 0 GEADRO CCOC(=O)CCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462309280 650474402 /nfs/dbraw/zinc/47/44/02/650474402.db2.gz CARYQAHGDRDEAK-WMLDXEAASA-N 1 0 388.555 2.394 20 0 GEADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000462402888 650478234 /nfs/dbraw/zinc/47/82/34/650478234.db2.gz PXFNHBRQYZKKOL-UHFFFAOYSA-N 1 0 376.320 2.244 20 0 GEADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462410832 650478405 /nfs/dbraw/zinc/47/84/05/650478405.db2.gz PZBBZHQQWLDJKC-CYBMUJFWSA-N 1 0 381.242 2.101 20 0 GEADRO Cc1ccsc1S(=O)(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000462427019 650479044 /nfs/dbraw/zinc/47/90/44/650479044.db2.gz KURDAXUFVGLJRR-UHFFFAOYSA-N 1 0 379.551 2.282 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000508340748 650479255 /nfs/dbraw/zinc/47/92/55/650479255.db2.gz RSZZARURIJINGL-UONOGXRCSA-N 1 0 396.329 2.416 20 0 GEADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)cn1)Cc1ccccc1 ZINC000462462541 650480808 /nfs/dbraw/zinc/48/08/08/650480808.db2.gz HVOOJASQRYGZFA-HNNXBMFYSA-N 1 0 398.326 2.295 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)[C@H](C)CO1 ZINC000462501008 650481970 /nfs/dbraw/zinc/48/19/70/650481970.db2.gz CDAYWHHQMDGYNF-HUUCEWRRSA-N 1 0 389.949 2.058 20 0 GEADRO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509076272 650486270 /nfs/dbraw/zinc/48/62/70/650486270.db2.gz DIPYGLBVEQOGIU-ZDUSSCGKSA-N 1 0 397.313 2.480 20 0 GEADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000462650908 650486971 /nfs/dbraw/zinc/48/69/71/650486971.db2.gz SXMDDZUEVVFGEO-DJIMGWMZSA-N 1 0 378.314 2.201 20 0 GEADRO C[C@@H](CCc1ccsc1)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000462797245 650490668 /nfs/dbraw/zinc/49/06/68/650490668.db2.gz CIAVTVPUFRZXSA-AWEZNQCLSA-N 1 0 382.555 2.246 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)NCCC1CCS(=O)(=O)CC1)CC(C)C ZINC000509154148 650488217 /nfs/dbraw/zinc/48/82/17/650488217.db2.gz RCQWRCIKLIGTDN-KRWDZBQOSA-N 1 0 375.579 2.257 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@@H]1[NH+]1CCCC1 ZINC000509291054 650492800 /nfs/dbraw/zinc/49/28/00/650492800.db2.gz YHEWLRINGUFEFM-RYUDHWBXSA-N 1 0 398.447 2.443 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCc2cccc(Br)c2)C1 ZINC000463319597 650493091 /nfs/dbraw/zinc/49/30/91/650493091.db2.gz WFVRKXUUMRZBJU-MRXNPFEDSA-N 1 0 384.318 2.354 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000509473181 650494248 /nfs/dbraw/zinc/49/42/48/650494248.db2.gz VZBFLLTVAVLGHR-VIFPVBQESA-N 1 0 383.297 2.399 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc(Br)cc1OCCCO ZINC000463370590 650494374 /nfs/dbraw/zinc/49/43/74/650494374.db2.gz WYFWLYXHRBRKJK-HIFRSBDPSA-N 1 0 398.301 2.119 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)CCc2ccc(Br)cc2OC)CC1 ZINC000509489742 650494730 /nfs/dbraw/zinc/49/47/30/650494730.db2.gz VXOHYVNGXJITAC-UHFFFAOYSA-N 1 0 398.345 2.144 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464347278 650495452 /nfs/dbraw/zinc/49/54/52/650495452.db2.gz AFPWAKXEIIUMGV-INIZCTEOSA-N 1 0 396.329 2.382 20 0 GEADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)C[C@H](C)C(=O)OC)c1ccc(Cl)cc1 ZINC000509623122 650497371 /nfs/dbraw/zinc/49/73/71/650497371.db2.gz DPGHYSUUWNQMFA-XJKSGUPXSA-N 1 0 390.933 2.451 20 0 GEADRO O=C(NC[C@@H]1CCCS1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000465314272 650497780 /nfs/dbraw/zinc/49/77/80/650497780.db2.gz VUPXGEOBKWLCIW-HNNXBMFYSA-N 1 0 379.551 2.186 20 0 GEADRO COc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1I ZINC000509667544 650498601 /nfs/dbraw/zinc/49/86/01/650498601.db2.gz AHZSIOCYTYQIIH-MNOVXSKESA-N 1 0 388.249 2.464 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000467058358 650501883 /nfs/dbraw/zinc/50/18/83/650501883.db2.gz PPXULWFSAFFOMN-ABAIWWIYSA-N 1 0 380.286 2.295 20 0 GEADRO CS(=O)(=O)NCC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000510184137 650507989 /nfs/dbraw/zinc/50/79/89/650507989.db2.gz IYZHEQHVOLZOCH-UHFFFAOYSA-N 1 0 391.331 2.089 20 0 GEADRO CCn1c2ccc(Br)cc2nc1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000510208090 650508463 /nfs/dbraw/zinc/50/84/63/650508463.db2.gz GOGNPYWCFBOCQE-HNNXBMFYSA-N 1 0 392.301 2.147 20 0 GEADRO CC(C)[C@@H](C[NH2+]Cc1ncc(I)s1)N1CCOCC1 ZINC000510266427 650509677 /nfs/dbraw/zinc/50/96/77/650509677.db2.gz IOKLNWNWDCFIPD-LLVKDONJSA-N 1 0 395.310 2.194 20 0 GEADRO CC(C)[C@H](C[NH2+]Cc1ncc(I)s1)N1CCOCC1 ZINC000510266440 650509714 /nfs/dbraw/zinc/50/97/14/650509714.db2.gz IOKLNWNWDCFIPD-NSHDSACASA-N 1 0 395.310 2.194 20 0 GEADRO COCc1ccccc1/C=C(\C)C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000510793036 650519381 /nfs/dbraw/zinc/51/93/81/650519381.db2.gz AGDACWCGTKPHLD-DTQAZKPQSA-N 1 0 384.567 2.205 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000510808133 650519550 /nfs/dbraw/zinc/51/95/50/650519550.db2.gz FFUDXBZVGUFSEP-APHBMKBZSA-N 1 0 387.933 2.425 20 0 GEADRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1nncn1C ZINC000510921546 650521103 /nfs/dbraw/zinc/52/11/03/650521103.db2.gz OUYPWLHDGKXCOW-DZGCQCFKSA-N 1 0 383.290 2.304 20 0 GEADRO CC(=O)Nc1nc(CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cs1 ZINC000511127406 650527449 /nfs/dbraw/zinc/52/74/49/650527449.db2.gz VLCUSEBIPULITR-NSHDSACASA-N 1 0 378.420 2.382 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000474243024 650528739 /nfs/dbraw/zinc/52/87/39/650528739.db2.gz WESNWWOGGIZIGA-UHFFFAOYSA-N 1 0 395.301 2.257 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)NCCn1cc(Br)cn1)c1ccc(F)cc1 ZINC000511230736 650529920 /nfs/dbraw/zinc/52/99/20/650529920.db2.gz SSJZCGCWXJUOQJ-OAHLLOKOSA-N 1 0 398.280 2.387 20 0 GEADRO CNC(=O)NC(=O)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000475743369 650536867 /nfs/dbraw/zinc/53/68/67/650536867.db2.gz GUCQSANBANADPD-OAHLLOKOSA-N 1 0 391.269 2.173 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cn2ccc(Br)cc2n1 ZINC000511432362 650537125 /nfs/dbraw/zinc/53/71/25/650537125.db2.gz XFBIUQKJCPUCBW-CQSZACIVSA-N 1 0 395.301 2.280 20 0 GEADRO CC[NH+](CC)CCOCCNCc1ncc(I)s1 ZINC000511988383 650543707 /nfs/dbraw/zinc/54/37/07/650543707.db2.gz JBOHTXAXLSUTAV-UHFFFAOYSA-N 1 0 383.299 2.196 20 0 GEADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2ncccc2Br)cc1 ZINC000476276213 650547580 /nfs/dbraw/zinc/54/75/80/650547580.db2.gz UOJZGVIJEKWUGS-ZDUSSCGKSA-N 1 0 394.269 2.398 20 0 GEADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000476340056 650548772 /nfs/dbraw/zinc/54/87/72/650548772.db2.gz SGZODHYKITUMAR-UHFFFAOYSA-N 1 0 382.452 2.188 20 0 GEADRO Brc1cscc1C[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000512135523 650545622 /nfs/dbraw/zinc/54/56/22/650545622.db2.gz LLSARDFTXHIMSE-UHFFFAOYSA-N 1 0 382.331 2.212 20 0 GEADRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000512150072 650545938 /nfs/dbraw/zinc/54/59/38/650545938.db2.gz UGICEPRUUAQPDC-DYVFJYSZSA-N 1 0 385.936 2.464 20 0 GEADRO 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ZINC000477028015 650566509 /nfs/dbraw/zinc/56/65/09/650566509.db2.gz LXPKBXZIXVAEIP-CYBMUJFWSA-N 1 0 384.318 2.254 20 0 GEADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCC[C@H]2CCF)s1)N1CCOCC1 ZINC000513656660 650567224 /nfs/dbraw/zinc/56/72/24/650567224.db2.gz WEPPBCXCQMUYMA-ZFWWWQNUSA-N 1 0 376.519 2.387 20 0 GEADRO CCC1CCC([N@H+](C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000514105501 650573507 /nfs/dbraw/zinc/57/35/07/650573507.db2.gz RJEUFUIRXCIJMW-UHFFFAOYSA-N 1 0 375.579 2.063 20 0 GEADRO COC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000514142775 650573738 /nfs/dbraw/zinc/57/37/38/650573738.db2.gz WOTHCQHYKKGKAY-IUODEOHRSA-N 1 0 380.432 2.264 20 0 GEADRO COC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000514142776 650574024 /nfs/dbraw/zinc/57/40/24/650574024.db2.gz WOTHCQHYKKGKAY-SWLSCSKDSA-N 1 0 380.432 2.264 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1cccc(Br)c1C ZINC000514614057 650575080 /nfs/dbraw/zinc/57/50/80/650575080.db2.gz 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377.279 2.008 20 0 GEADRO CN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000478843251 650591967 /nfs/dbraw/zinc/59/19/67/650591967.db2.gz HJBMACIRCKJFSD-HNNXBMFYSA-N 1 0 385.917 2.296 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000515659114 650593600 /nfs/dbraw/zinc/59/36/00/650593600.db2.gz DYSQCTOWIQHHAW-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO Cc1ccc(NC(=O)CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000515352206 650592233 /nfs/dbraw/zinc/59/22/33/650592233.db2.gz JWMIWVUGRUJIGY-AWEZNQCLSA-N 1 0 396.329 2.383 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(Cl)cc1Br ZINC000479029491 650594461 /nfs/dbraw/zinc/59/44/61/650594461.db2.gz YEVMHIQLQSOOGK-UHFFFAOYSA-N 1 0 397.660 2.086 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000515845494 650594779 /nfs/dbraw/zinc/59/47/79/650594779.db2.gz IAUXIMKLPFYTAC-BQBZGAKWSA-N 1 0 380.645 2.422 20 0 GEADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000479081324 650595903 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COc1cc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)ccc1Br ZINC000518179154 650602246 /nfs/dbraw/zinc/60/22/46/650602246.db2.gz MKHVQHBOMBDLAP-LLVKDONJSA-N 1 0 380.246 2.054 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000518198317 650602877 /nfs/dbraw/zinc/60/28/77/650602877.db2.gz WJEWJWCSKONQMK-UHFFFAOYSA-N 1 0 381.464 2.209 20 0 GEADRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479409515 650603061 /nfs/dbraw/zinc/60/30/61/650603061.db2.gz PFQDWTTXKJUNEH-SNVBAGLBSA-N 1 0 396.340 2.454 20 0 GEADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479454077 650603971 /nfs/dbraw/zinc/60/39/71/650603971.db2.gz PQJZHGCFODTUCJ-KBPBESRZSA-N 1 0 378.336 2.371 20 0 GEADRO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000518514648 650605666 /nfs/dbraw/zinc/60/56/66/650605666.db2.gz FHPNYPSFGZPAPQ-XRNSZHNASA-N 1 0 377.798 2.243 20 0 GEADRO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000518514646 650605745 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CC1(C)COCCN1CC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000520219072 650614103 /nfs/dbraw/zinc/61/41/03/650614103.db2.gz PRFWPIRBJHXASV-UHFFFAOYSA-N 1 0 384.318 2.478 20 0 GEADRO O=C(CC[NH2+]C1CC1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520610467 650615514 /nfs/dbraw/zinc/61/55/14/650615514.db2.gz YUOPPMOLTMSLTB-LBPRGKRZSA-N 1 0 395.301 2.163 20 0 GEADRO CN(CC[NH+](C)C)C(=O)c1ccc2cc(I)ccc2n1 ZINC000480222793 650617932 /nfs/dbraw/zinc/61/79/32/650617932.db2.gz HDZREPSODZZIAS-UHFFFAOYSA-N 1 0 383.233 2.473 20 0 GEADRO COCC[C@@](C)(O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480236931 650618232 /nfs/dbraw/zinc/61/82/32/650618232.db2.gz WOXOARMSHGTPKS-UKRRQHHQSA-N 1 0 392.315 2.045 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)CCOCC(F)(F)F ZINC000521687107 650618616 /nfs/dbraw/zinc/61/86/16/650618616.db2.gz JMDBTEOYBPEGPG-HIFRSBDPSA-N 1 0 380.432 2.005 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000521679599 650618628 /nfs/dbraw/zinc/61/86/28/650618628.db2.gz XMOOZNZLFRROBH-ZBFHGGJFSA-N 1 0 379.913 2.208 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000480262808 650618642 /nfs/dbraw/zinc/61/86/42/650618642.db2.gz WWUFODVQINAMNR-CYBMUJFWSA-N 1 0 396.329 2.097 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000521679596 650618716 /nfs/dbraw/zinc/61/87/16/650618716.db2.gz XMOOZNZLFRROBH-GOEBONIOSA-N 1 0 379.913 2.208 20 0 GEADRO O=C1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C2(CCC2)N1 ZINC000521943972 650620469 /nfs/dbraw/zinc/62/04/69/650620469.db2.gz APCAZYICNOUJNP-OAHLLOKOSA-N 1 0 390.285 2.321 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCn1cc(Br)ccc1=O ZINC000522693167 650626760 /nfs/dbraw/zinc/62/67/60/650626760.db2.gz KYPDEVILUCBCFJ-HIFRSBDPSA-N 1 0 382.302 2.086 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC2(c3ccc(Br)cc3)CC2)C1 ZINC000523428954 650634700 /nfs/dbraw/zinc/63/47/00/650634700.db2.gz DIMBHYCOUYWLMX-OAHLLOKOSA-N 1 0 382.302 2.458 20 0 GEADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1n[nH]cc1Br ZINC000523432616 650634741 /nfs/dbraw/zinc/63/47/41/650634741.db2.gz UJABXXGKDZUTCU-UHFFFAOYSA-N 1 0 378.274 2.030 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c(Br)c1 ZINC000481339309 650644528 /nfs/dbraw/zinc/64/45/28/650644528.db2.gz JZSFTIIWPVLFCV-CQSZACIVSA-N 1 0 393.372 2.473 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000524776356 650646205 /nfs/dbraw/zinc/64/62/05/650646205.db2.gz VFQKLJFLVUYVHP-ZIAGYGMSSA-N 1 0 394.313 2.260 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000481462719 650646995 /nfs/dbraw/zinc/64/69/95/650646995.db2.gz CXWYTSPYCLWQJR-UHFFFAOYSA-N 1 0 385.848 2.394 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000524869201 650647700 /nfs/dbraw/zinc/64/77/00/650647700.db2.gz PNLHOCXISWENJC-SNVBAGLBSA-N 1 0 386.677 2.394 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000481494773 650647741 /nfs/dbraw/zinc/64/77/41/650647741.db2.gz RPDNJLLDDFNKBO-UHFFFAOYSA-N 1 0 385.848 2.394 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000525086388 650649642 /nfs/dbraw/zinc/64/96/42/650649642.db2.gz MSPZMEZTZREZCI-UHFFFAOYSA-N 1 0 391.331 2.180 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000525180304 650650706 /nfs/dbraw/zinc/65/07/06/650650706.db2.gz CJZJNDJQEVKCPI-CYBMUJFWSA-N 1 0 385.917 2.330 20 0 GEADRO COC(=O)CNC(=O)CC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481733940 650651669 /nfs/dbraw/zinc/65/16/69/650651669.db2.gz VADZKMGYWLDQTQ-INIZCTEOSA-N 1 0 387.249 2.308 20 0 GEADRO OC[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@@H]1CCOC1 ZINC000481836150 650654304 /nfs/dbraw/zinc/65/43/04/650654304.db2.gz NEFDQOVPQLAXAH-NXEZZACHSA-N 1 0 397.203 2.304 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000481964025 650656829 /nfs/dbraw/zinc/65/68/29/650656829.db2.gz CMDVWJSCTZPHMM-OAHLLOKOSA-N 1 0 385.302 2.050 20 0 GEADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482004901 650658047 /nfs/dbraw/zinc/65/80/47/650658047.db2.gz XBLNHEKVTFUYHI-OWCLPIDISA-N 1 0 390.933 2.483 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000525838427 650658562 /nfs/dbraw/zinc/65/85/62/650658562.db2.gz BCVKZORNWIEPOC-GFCCVEGCSA-N 1 0 382.302 2.408 20 0 GEADRO Brc1ccc(C[NH2+]CCc2cnccn2)c(N2CCOCC2)c1 ZINC000525995645 650662664 /nfs/dbraw/zinc/66/26/64/650662664.db2.gz CKMVOXKZOGZIHG-UHFFFAOYSA-N 1 0 377.286 2.408 20 0 GEADRO C[C@H](O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000526295978 650664269 /nfs/dbraw/zinc/66/42/69/650664269.db2.gz JFRQNZDHHORLDP-ZOWXZIJZSA-N 1 0 376.266 2.421 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000482602161 650665791 /nfs/dbraw/zinc/66/57/91/650665791.db2.gz GQQCDBZRDKMKLY-SUMWQHHRSA-N 1 0 383.323 2.078 20 0 GEADRO CCCC[C@](C)([NH2+]CC(=O)N1CCNC(=O)C1)c1cccc(Br)c1 ZINC000483054908 650674086 /nfs/dbraw/zinc/67/40/86/650674086.db2.gz ACCXAAMQYFPQCP-SFHVURJKSA-N 1 0 396.329 2.403 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527595840 650680146 /nfs/dbraw/zinc/68/01/46/650680146.db2.gz XEBNOMORNANGNV-GFCCVEGCSA-N 1 0 386.265 2.034 20 0 GEADRO NC(=O)[C@@](O)(CN1CCc2ccc(F)c(Br)c2C1)c1ccccc1 ZINC000527623761 650681071 /nfs/dbraw/zinc/68/10/71/650681071.db2.gz AXTVDDIVGMXFAE-GOSISDBHSA-N 1 0 393.256 2.319 20 0 GEADRO CCCS(=O)(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000483768344 650681474 /nfs/dbraw/zinc/68/14/74/650681474.db2.gz ZCZFVALTXVJCBS-UHFFFAOYSA-N 1 0 376.320 2.353 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000483928105 650683024 /nfs/dbraw/zinc/68/30/24/650683024.db2.gz RTPMPZXGFLQJAL-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000483928103 650683123 /nfs/dbraw/zinc/68/31/23/650683123.db2.gz RTPMPZXGFLQJAL-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO O=C(c1cc(O)cc(Br)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000528278086 650687311 /nfs/dbraw/zinc/68/73/11/650687311.db2.gz KJPGNSSLVFJVNW-MRXNPFEDSA-N 1 0 383.286 2.482 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000528300336 650687746 /nfs/dbraw/zinc/68/77/46/650687746.db2.gz GXDSTNRVVWTJOK-GFCCVEGCSA-N 1 0 382.452 2.228 20 0 GEADRO CS[C@@H]1CN([C@H](C(N)=O)c2cccc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000484623741 650687859 /nfs/dbraw/zinc/68/78/59/650687859.db2.gz RNWIMSBDCPDMEP-OAGGEKHMSA-N 1 0 398.370 2.487 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000528304258 650687869 /nfs/dbraw/zinc/68/78/69/650687869.db2.gz VOXFSSPSBOCMMD-TXEJJXNPSA-N 1 0 382.452 2.085 20 0 GEADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000484620639 650687886 /nfs/dbraw/zinc/68/78/86/650687886.db2.gz NSPKHRGHAPZVSS-KBPBESRZSA-N 1 0 391.331 2.253 20 0 GEADRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528313432 650688524 /nfs/dbraw/zinc/68/85/24/650688524.db2.gz DMENBLJTEMGXLA-UHFFFAOYSA-N 1 0 382.452 2.324 20 0 GEADRO CS[C@H]1CN(CC(=O)Nc2nc3c(s2)CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000484649962 650688762 /nfs/dbraw/zinc/68/87/62/650688762.db2.gz LYQRACLRNMHISO-HOCLYGCPSA-N 1 0 380.583 2.472 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000528335937 650688986 /nfs/dbraw/zinc/68/89/86/650688986.db2.gz FNJYNRHWHNMHQI-UHFFFAOYSA-N 1 0 382.452 2.324 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c(Cl)cc21 ZINC000528337323 650689029 /nfs/dbraw/zinc/68/90/29/650689029.db2.gz XBXQLKPFMDUXMG-SMDDNHRTSA-N 1 0 385.917 2.010 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)c(Cl)cc21 ZINC000528337318 650689060 /nfs/dbraw/zinc/68/90/60/650689060.db2.gz XBXQLKPFMDUXMG-FZMZJTMJSA-N 1 0 385.917 2.010 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)COc1cccc(Cl)c1Cl ZINC000484756564 650690010 /nfs/dbraw/zinc/69/00/10/650690010.db2.gz NOTPWINQVPNEPT-XOUADPBQSA-N 1 0 389.323 2.480 20 0 GEADRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000484765992 650690163 /nfs/dbraw/zinc/69/01/63/650690163.db2.gz LTHFRSCKGUAXEA-INIZCTEOSA-N 1 0 384.274 2.279 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000527998630 650684177 /nfs/dbraw/zinc/68/41/77/650684177.db2.gz BMUCDZZKVFWGET-BLLLJJGKSA-N 1 0 390.281 2.416 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000484041092 650684689 /nfs/dbraw/zinc/68/46/89/650684689.db2.gz JMKMRVSRGBYPRY-SNVBAGLBSA-N 1 0 394.191 2.260 20 0 GEADRO CCOC[C@H](O)C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000484153387 650685404 /nfs/dbraw/zinc/68/54/04/650685404.db2.gz ARCZCKYCQBVOTA-IAQYHMDHSA-N 1 0 383.290 2.386 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528392754 650692185 /nfs/dbraw/zinc/69/21/85/650692185.db2.gz DGCFVZAHACCEFM-UHFFFAOYSA-N 1 0 382.452 2.326 20 0 GEADRO C[N@H+](CCN1CCN(C(=O)[C@H]2C[C@@]2(C)Br)CC1)Cc1ccccc1 ZINC000528420613 650693062 /nfs/dbraw/zinc/69/30/62/650693062.db2.gz LLGYZKQBVILIBK-IEBWSBKVSA-N 1 0 394.357 2.436 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC[C@H]2CCN2C2CCCC2)s1 ZINC000528554372 650696629 /nfs/dbraw/zinc/69/66/29/650696629.db2.gz UGJMLUHTQIMEHW-IUODEOHRSA-N 1 0 385.555 2.240 20 0 GEADRO COc1nc(C)c(Br)cc1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000485492958 650697214 /nfs/dbraw/zinc/69/72/14/650697214.db2.gz OHOITNAPQUBLJL-QWHCGFSZSA-N 1 0 388.331 2.279 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Cl)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000528661448 650697470 /nfs/dbraw/zinc/69/74/70/650697470.db2.gz ITQVEFHWWKNIJE-UHFFFAOYSA-N 1 0 386.283 2.168 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000485689546 650699044 /nfs/dbraw/zinc/69/90/44/650699044.db2.gz TVFHZPPAGXAXCQ-HOTGVXAUSA-N 1 0 398.301 2.315 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(O)cc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000528928604 650699224 /nfs/dbraw/zinc/69/92/24/650699224.db2.gz DSIPKBRGILYKKB-DYVFJYSZSA-N 1 0 396.329 2.253 20 0 GEADRO CC[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1cc(F)cc(Br)c1 ZINC000485823887 650701066 /nfs/dbraw/zinc/70/10/66/650701066.db2.gz QGBSZFMOTVUICK-CQSZACIVSA-N 1 0 384.249 2.227 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000485838901 650701178 /nfs/dbraw/zinc/70/11/78/650701178.db2.gz HARFDQYWDWWUTM-QMTHXVAHSA-N 1 0 388.281 2.222 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000529342378 650703240 /nfs/dbraw/zinc/70/32/40/650703240.db2.gz MGYHDMATVBZPQP-ZDUSSCGKSA-N 1 0 380.286 2.389 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000486000687 650704895 /nfs/dbraw/zinc/70/48/95/650704895.db2.gz HEHFAFLAFMGAII-BXUZGUMPSA-N 1 0 378.274 2.225 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000486294868 650711167 /nfs/dbraw/zinc/71/11/67/650711167.db2.gz RPYOMHRBDOYOPI-HIFRSBDPSA-N 1 0 396.329 2.112 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000486397974 650712984 /nfs/dbraw/zinc/71/29/84/650712984.db2.gz BRUKSZUOGRAOQF-GFCCVEGCSA-N 1 0 380.286 2.357 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 ZINC000486579489 650716401 /nfs/dbraw/zinc/71/64/01/650716401.db2.gz FPTRDWYVMPGABE-HNNXBMFYSA-N 1 0 390.933 2.470 20 0 GEADRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000530214134 650718576 /nfs/dbraw/zinc/71/85/76/650718576.db2.gz BFGGVIMHNKWBHQ-HZMBPMFUSA-N 1 0 388.331 2.032 20 0 GEADRO Ic1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COCCN1)CCCO2 ZINC000530217655 650718631 /nfs/dbraw/zinc/71/86/31/650718631.db2.gz AIIADSPSAQZKGG-OCCSQVGLSA-N 1 0 388.249 2.083 20 0 GEADRO C[C@H](c1cccc(Br)c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530224485 650718663 /nfs/dbraw/zinc/71/86/63/650718663.db2.gz QNHOHOMKOIXECC-CQSZACIVSA-N 1 0 381.318 2.153 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240940 650719442 /nfs/dbraw/zinc/71/94/42/650719442.db2.gz NWDXXFGLJNZWBR-OAHLLOKOSA-N 1 0 385.961 2.450 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000530383373 650724490 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COC[C@@](C)(O)C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000531711940 650743029 /nfs/dbraw/zinc/74/30/29/650743029.db2.gz TWODUTRCBYUPPV-ZBEGNZNMSA-N 1 0 383.290 2.386 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000008351409 642351407 /nfs/dbraw/zinc/35/14/07/642351407.db2.gz QDMDGNPEXKTLDO-ZDUSSCGKSA-N 1 0 387.933 2.242 20 0 GEADRO C[C@H](CNC(=O)NCCCn1cc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000488488528 650746365 /nfs/dbraw/zinc/74/63/65/650746365.db2.gz HQFPVRGZVCAUPJ-CQSZACIVSA-N 1 0 386.338 2.455 20 0 GEADRO O=C(CN1CC[NH+](C[C@@H]2CCCOC2)CC1)Nc1ccc(Br)cc1 ZINC000532271291 650747044 /nfs/dbraw/zinc/74/70/44/650747044.db2.gz PDNZQETVXBXORZ-HNNXBMFYSA-N 1 0 396.329 2.432 20 0 GEADRO O=c1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)nc2ccc(Br)cn12 ZINC000532646709 650751718 /nfs/dbraw/zinc/75/17/18/650751718.db2.gz GIDDGWQCAGXJEZ-WFASDCNBSA-N 1 0 378.270 2.458 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000532482718 650748574 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C[C@H]1C[NH+](CCCNC(=O)COc2ccccc2Br)C[C@H](C)O1 ZINC000031671279 642489470 /nfs/dbraw/zinc/48/94/70/642489470.db2.gz ZTQZJVFXZCAIFC-KBPBESRZSA-N 1 0 385.302 2.443 20 0 GEADRO CC[NH2+]CCCNS(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000036299571 642508691 /nfs/dbraw/zinc/50/86/91/642508691.db2.gz IDCARIKKINMZLR-UHFFFAOYSA-N 1 0 385.711 2.389 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000533717751 650764987 /nfs/dbraw/zinc/76/49/87/650764987.db2.gz JIQAEDVSKOWSNX-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000041241320 642527450 /nfs/dbraw/zinc/52/74/50/642527450.db2.gz RHGYNSPUTJNMOY-UHFFFAOYSA-N 1 0 380.286 2.439 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000041275463 642527885 /nfs/dbraw/zinc/52/78/85/642527885.db2.gz AQKAQFBDWOTFKU-BETUJISGSA-N 1 0 398.301 2.003 20 0 GEADRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ncc(Br)s1 ZINC000533784645 650765491 /nfs/dbraw/zinc/76/54/91/650765491.db2.gz BADITJXKSHVGJW-WDEREUQCSA-N 1 0 375.336 2.144 20 0 GEADRO O=S(=O)(c1c(Cl)ccc2ccccc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000490067933 650767524 /nfs/dbraw/zinc/76/75/24/650767524.db2.gz PYLBSQQRIVPRAH-OAHLLOKOSA-N 1 0 379.913 2.161 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc(Br)cc1F ZINC000041890466 642535141 /nfs/dbraw/zinc/53/51/41/642535141.db2.gz OZWVMOSXFKCNAE-SNVBAGLBSA-N 1 0 384.249 2.127 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000041925042 642536234 /nfs/dbraw/zinc/53/62/34/642536234.db2.gz ADNPULDOMPCKRC-UKRRQHHQSA-N 1 0 387.571 2.056 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)COc1ccc(F)cc1Br ZINC000041966828 642537279 /nfs/dbraw/zinc/53/72/79/642537279.db2.gz VEUJLXABCBJNME-UHFFFAOYSA-N 1 0 377.254 2.052 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(I)cc1 ZINC000042008252 642539306 /nfs/dbraw/zinc/53/93/06/642539306.db2.gz YCORYFXRXILJLL-LLVKDONJSA-N 1 0 396.294 2.300 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000042055897 642540512 /nfs/dbraw/zinc/54/05/12/642540512.db2.gz CSQIIUXRKCKKCN-HUUCEWRRSA-N 1 0 380.286 2.439 20 0 GEADRO CC[C@@H](CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)[NH+]1CCCC1 ZINC000042227139 642545978 /nfs/dbraw/zinc/54/59/78/642545978.db2.gz VQZCMWXFHVLYMQ-GJZGRUSLSA-N 1 0 388.965 2.169 20 0 GEADRO CCCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000042686763 642555450 /nfs/dbraw/zinc/55/54/50/642555450.db2.gz LCKJAXGWXWSGHO-INIZCTEOSA-N 1 0 399.329 2.427 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000042741199 642556306 /nfs/dbraw/zinc/55/63/06/642556306.db2.gz QWELNLCOPMUBCD-UHFFFAOYSA-N 1 0 390.336 2.318 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1cccc(F)c1I ZINC000533536852 650761673 /nfs/dbraw/zinc/76/16/73/650761673.db2.gz CLJMJTWNVZGELK-UHFFFAOYSA-N 1 0 394.228 2.128 20 0 GEADRO CSCCCNC(=S)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000044226478 642571150 /nfs/dbraw/zinc/57/11/50/642571150.db2.gz BTDZYKZUFJJMJA-UHFFFAOYSA-N 1 0 380.583 2.423 20 0 GEADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cncc(Br)c2)CC1 ZINC000044244267 642571232 /nfs/dbraw/zinc/57/12/32/642571232.db2.gz CBYOPNFYFMGDGL-UHFFFAOYSA-N 1 0 376.320 2.385 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cncc(Br)c1 ZINC000044243617 642571484 /nfs/dbraw/zinc/57/14/84/642571484.db2.gz BDFSXODGVAQORT-LBPRGKRZSA-N 1 0 376.320 2.387 20 0 GEADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCCNS(C)(=O)=O ZINC000044862384 642582915 /nfs/dbraw/zinc/58/29/15/642582915.db2.gz KICXAVPGAMGIEC-UHFFFAOYSA-N 1 0 384.933 2.231 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045137165 642589480 /nfs/dbraw/zinc/58/94/80/642589480.db2.gz LUKPGNFRTQDVDP-LBPRGKRZSA-N 1 0 382.302 2.258 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(OC)ccc2Br)CC1 ZINC000046946938 642620053 /nfs/dbraw/zinc/62/00/53/642620053.db2.gz OMUCGUGDLSMFCL-ZDUSSCGKSA-N 1 0 384.318 2.214 20 0 GEADRO CC[C@H](CN1C(=O)c2cc(Br)ccc2S1(=O)=O)[NH+]1CCCC1 ZINC000047880000 642642420 /nfs/dbraw/zinc/64/24/20/642642420.db2.gz CJQXMXKYHAOCES-GFCCVEGCSA-N 1 0 387.299 2.468 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000534379766 650773587 /nfs/dbraw/zinc/77/35/87/650773587.db2.gz WRGQJAJJIBVCJQ-MEDUHNTESA-N 1 0 390.297 2.131 20 0 GEADRO COCCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@H]1CCOC1 ZINC000490086328 650767812 /nfs/dbraw/zinc/76/78/12/650767812.db2.gz YHYXCZHPHDVSJC-BBRMVZONSA-N 1 0 385.302 2.364 20 0 GEADRO O=C(C[N@H+]1CCCC[C@H]1CCO)Nc1cccc(I)c1 ZINC000049801714 642671540 /nfs/dbraw/zinc/67/15/40/642671540.db2.gz YPQGGPSZEIXKLR-AWEZNQCLSA-N 1 0 388.249 2.467 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000049993044 642673788 /nfs/dbraw/zinc/67/37/88/642673788.db2.gz JLTQIBQHBHOODG-DLBZAZTESA-N 1 0 380.330 2.258 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000050163607 642677819 /nfs/dbraw/zinc/67/78/19/642677819.db2.gz GRFUBGIBSZXZTQ-QWRGUYRKSA-N 1 0 377.304 2.124 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1ccc(I)cc1 ZINC000534487886 650775693 /nfs/dbraw/zinc/77/56/93/650775693.db2.gz HNOZVBODWUENNC-TXEJJXNPSA-N 1 0 388.249 2.221 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000051189188 642692299 /nfs/dbraw/zinc/69/22/99/642692299.db2.gz CNPTUEMAZFSJRB-UHFFFAOYSA-N 1 0 384.933 2.312 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)COc2ccccc2Br)CC1 ZINC000490587463 650776556 /nfs/dbraw/zinc/77/65/56/650776556.db2.gz RMGYCKAPPKYIMP-UHFFFAOYSA-N 1 0 385.302 2.179 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)CCc3ccccc3Br)C2)C1 ZINC000490642140 650777889 /nfs/dbraw/zinc/77/78/89/650777889.db2.gz CVIWMEKBTJSFOQ-INIZCTEOSA-N 1 0 387.343 2.349 20 0 GEADRO O=C(CC[NH+]1CCC(N2CCNC2=O)CC1)Nc1ccc(Br)cc1 ZINC000052217489 642712720 /nfs/dbraw/zinc/71/27/20/642712720.db2.gz FACHDDGNSINODW-UHFFFAOYSA-N 1 0 395.301 2.267 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[NH+]1CCCC1 ZINC000052641487 642723869 /nfs/dbraw/zinc/72/38/69/642723869.db2.gz FSQMAOFOPFAKNI-KGLIPLIRSA-N 1 0 394.313 2.403 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N[C@@H]2CC[N@H+](C)C2)c1 ZINC000053528625 642733375 /nfs/dbraw/zinc/73/33/75/642733375.db2.gz MFLGBXVFAVUEIU-CQSZACIVSA-N 1 0 384.571 2.016 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000534683352 650779761 /nfs/dbraw/zinc/77/97/61/650779761.db2.gz MXOLQRZUXFTEET-LBPRGKRZSA-N 1 0 380.290 2.490 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2cccs2)C[C@H]1[NH+](C)C ZINC000534825854 650780971 /nfs/dbraw/zinc/78/09/71/650780971.db2.gz OJOIESXMLIEYIS-IIAWOOMASA-N 1 0 381.567 2.247 20 0 GEADRO CC(C)C[NH+]1CCN(CN2c3cc(Br)ccc3C(=O)C2=O)CC1 ZINC000054357593 642752070 /nfs/dbraw/zinc/75/20/70/642752070.db2.gz KGIBQFOOSISYMS-UHFFFAOYSA-N 1 0 380.286 2.210 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc(I)cc2)C[C@H]1[NH+](C)C ZINC000534828999 650781255 /nfs/dbraw/zinc/78/12/55/650781255.db2.gz XTZQLCUZYYYIRA-OLZOCXBDSA-N 1 0 390.290 2.409 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)NNC(=O)c2ccccc2Br)C1 ZINC000054806079 642759818 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GEADRO Clc1ccc(-n2cc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)nn2)c(Cl)c1 ZINC000491302380 650785441 /nfs/dbraw/zinc/78/54/41/650785441.db2.gz BIXCWANQUZUWOT-OAHLLOKOSA-N 1 0 381.311 2.054 20 0 GEADRO CN(C)S(=O)(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000060212040 642834261 /nfs/dbraw/zinc/83/42/61/642834261.db2.gz XUBHQKPVWAWDHG-UHFFFAOYSA-N 1 0 379.448 2.408 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000062368187 642847945 /nfs/dbraw/zinc/84/79/45/642847945.db2.gz ZPRBWTUSUBHOBK-UHFFFAOYSA-N 1 0 397.317 2.371 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000062587028 642848960 /nfs/dbraw/zinc/84/89/60/642848960.db2.gz RVBILMITMFXWIR-VIFPVBQESA-N 1 0 376.682 2.497 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000063116075 642852001 /nfs/dbraw/zinc/85/20/01/642852001.db2.gz CQQGXPAYQWEEJA-DOTOQJQBSA-N 1 0 394.313 2.369 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000064305487 642872346 /nfs/dbraw/zinc/87/23/46/642872346.db2.gz FTESJDBWTLGPSW-UHFFFAOYSA-N 1 0 384.249 2.223 20 0 GEADRO O=C(CC[NH2+]C1(c2cccc(Br)c2)CCOCC1)N1CCOCC1 ZINC000065604454 642881111 /nfs/dbraw/zinc/88/11/11/642881111.db2.gz WNOVPRDSDRTKSS-UHFFFAOYSA-N 1 0 397.313 2.293 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000493519600 650794654 /nfs/dbraw/zinc/79/46/54/650794654.db2.gz DIUUKAPCLQESKE-SJLPKXTDSA-N 1 0 399.329 2.427 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000066125308 642898599 /nfs/dbraw/zinc/89/85/99/642898599.db2.gz YTEYFLNHZBIIKO-CABCVRRESA-N 1 0 387.571 2.138 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000066124966 642898630 /nfs/dbraw/zinc/89/86/30/642898630.db2.gz PCIOXZVUACDLJH-LLVKDONJSA-N 1 0 390.347 2.429 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066223515 642901571 /nfs/dbraw/zinc/90/15/71/642901571.db2.gz CNCUVCHPXOZLNZ-GFCCVEGCSA-N 1 0 384.249 2.223 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066223817 642901765 /nfs/dbraw/zinc/90/17/65/642901765.db2.gz PVSFJSHMOSZDAA-GFCCVEGCSA-N 1 0 384.249 2.223 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066536764 642920042 /nfs/dbraw/zinc/92/00/42/642920042.db2.gz GIUJLXNKBPJABK-CQSZACIVSA-N 1 0 391.317 2.485 20 0 GEADRO C[C@H](CNC(=O)c1cc(Br)cc2cccnc21)N1CC[NH+](C)CC1 ZINC000536190756 650798068 /nfs/dbraw/zinc/79/80/68/650798068.db2.gz IJLXAYDISBIYSM-CYBMUJFWSA-N 1 0 391.313 2.363 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000493920357 650798806 /nfs/dbraw/zinc/79/88/06/650798806.db2.gz OTJHCMOSDBGBIH-BLLLJJGKSA-N 1 0 384.293 2.025 20 0 GEADRO C[NH+](C)CCN(C(=O)Cn1cc(Br)ccc1=O)C1CCCCC1 ZINC000067869827 642979591 /nfs/dbraw/zinc/97/95/91/642979591.db2.gz VCFJRKNNYXZHHY-UHFFFAOYSA-N 1 0 384.318 2.334 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)([NH+](C)C)C1 ZINC000068116772 642987862 /nfs/dbraw/zinc/98/78/62/642987862.db2.gz OXQHGWCALSBJJT-PXAZEXFGSA-N 1 0 387.933 2.228 20 0 GEADRO C[NH+](C)Cc1ccc(CNC(=O)NCc2n[nH]cc2Br)cc1F ZINC000536494487 650803509 /nfs/dbraw/zinc/80/35/09/650803509.db2.gz ZDGAODYACRRHCO-UHFFFAOYSA-N 1 0 384.253 2.372 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000068486278 643002101 /nfs/dbraw/zinc/00/21/01/643002101.db2.gz NXSBJEBJKLVYKV-AWEZNQCLSA-N 1 0 379.917 2.440 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000068487302 643002135 /nfs/dbraw/zinc/00/21/35/643002135.db2.gz IXVHAJYOTFIYGU-CZUORRHYSA-N 1 0 394.313 2.355 20 0 GEADRO CCn1cc(Br)cc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069710347 643039389 /nfs/dbraw/zinc/03/93/89/643039389.db2.gz WACVIXTZITXIGC-AWEZNQCLSA-N 1 0 384.318 2.455 20 0 GEADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O ZINC000536833376 650808404 /nfs/dbraw/zinc/80/84/04/650808404.db2.gz MREQJPNDBJMHDR-WDEREUQCSA-N 1 0 377.304 2.189 20 0 GEADRO CS[C@H]1CN(CC(=O)N(C)CCOc2ccc(Cl)cc2)C[C@H]1[NH+](C)C ZINC000537283051 650812073 /nfs/dbraw/zinc/81/20/73/650812073.db2.gz KGHMQWHXQHOLCX-SJORKVTESA-N 1 0 385.961 2.155 20 0 GEADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000070170244 643049267 /nfs/dbraw/zinc/04/92/67/643049267.db2.gz UYOGXVKDADZEFF-LLVKDONJSA-N 1 0 394.278 2.041 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(CC(=O)Nc2ccccc2I)C1 ZINC000070171183 643049784 /nfs/dbraw/zinc/04/97/84/643049784.db2.gz UNMMBZUATYADKC-LBPRGKRZSA-N 1 0 387.265 2.291 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000070174321 643049837 /nfs/dbraw/zinc/04/98/37/643049837.db2.gz SWAOQSBAJVLMFY-RYUDHWBXSA-N 1 0 387.265 2.289 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070177422 643050273 /nfs/dbraw/zinc/05/02/73/643050273.db2.gz WJXMMKZZEJKLBU-CMPLNLGQSA-N 1 0 377.304 2.206 20 0 GEADRO CC[NH+](CC)CCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000070710062 643052001 /nfs/dbraw/zinc/05/20/01/643052001.db2.gz SQOVKFAMQCFQCU-UHFFFAOYSA-N 1 0 396.340 2.120 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071064522 643057736 /nfs/dbraw/zinc/05/77/36/643057736.db2.gz SPWGMMHAQRBIKS-GFCCVEGCSA-N 1 0 380.286 2.297 20 0 GEADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2OC)C1 ZINC000071144835 643058986 /nfs/dbraw/zinc/05/89/86/643058986.db2.gz TXUZYAHZQKNOTG-VIFPVBQESA-N 1 0 397.722 2.341 20 0 GEADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2OC)C1 ZINC000071144838 643059040 /nfs/dbraw/zinc/05/90/40/643059040.db2.gz TXUZYAHZQKNOTG-SECBINFHSA-N 1 0 397.722 2.341 20 0 GEADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000071310263 643059831 /nfs/dbraw/zinc/05/98/31/643059831.db2.gz RWTXLHCIYPOBMZ-SECBINFHSA-N 1 0 398.120 2.194 20 0 GEADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1cc(Br)ccc1Br ZINC000071397279 643060147 /nfs/dbraw/zinc/06/01/47/643060147.db2.gz CJRKKICKHWNUSU-VIFPVBQESA-N 1 0 398.120 2.242 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000494521572 650810233 /nfs/dbraw/zinc/81/02/33/650810233.db2.gz DRDRMABLDSSFQH-UHFFFAOYSA-N 1 0 390.347 2.117 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC000080216925 643063819 /nfs/dbraw/zinc/06/38/19/643063819.db2.gz SLNHYBLPRHKDOB-JKSUJKDBSA-N 1 0 375.579 2.208 20 0 GEADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000090724514 643065047 /nfs/dbraw/zinc/06/50/47/643065047.db2.gz NIDFYNQPFPVMBC-KGLIPLIRSA-N 1 0 376.544 2.497 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000091759682 643066928 /nfs/dbraw/zinc/06/69/28/643066928.db2.gz YOULFUVBUJGGSS-ZIAGYGMSSA-N 1 0 397.317 2.478 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000091759671 643067006 /nfs/dbraw/zinc/06/70/06/643067006.db2.gz YOULFUVBUJGGSS-KGLIPLIRSA-N 1 0 397.317 2.478 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNc2cc(Br)cc(F)c2C(N)=O)CC1 ZINC000092828648 643073765 /nfs/dbraw/zinc/07/37/65/643073765.db2.gz ACJZXXNCAHJFGJ-NSHDSACASA-N 1 0 387.297 2.125 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(Cc3cnc4ccc(Br)cn34)C2)CC1 ZINC000093132702 643074830 /nfs/dbraw/zinc/07/48/30/643074830.db2.gz ALTBZMCPFCNGKD-MRXNPFEDSA-N 1 0 392.345 2.309 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000094076046 643086361 /nfs/dbraw/zinc/08/63/61/643086361.db2.gz YJGAITMKERYSOM-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000096866128 643091158 /nfs/dbraw/zinc/09/11/58/643091158.db2.gz FDKGVIDBGZGSIZ-QWRGUYRKSA-N 1 0 377.304 2.219 20 0 GEADRO CC[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1cc(F)cc(Br)c1 ZINC000537308099 650812741 /nfs/dbraw/zinc/81/27/41/650812741.db2.gz QNAHIEQGDZMDGQ-ZIAGYGMSSA-N 1 0 380.279 2.443 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000096999451 643092656 /nfs/dbraw/zinc/09/26/56/643092656.db2.gz UHBGGSZNFKCLGD-ZDUSSCGKSA-N 1 0 377.913 2.031 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000097042501 643093719 /nfs/dbraw/zinc/09/37/19/643093719.db2.gz TUAHAYXCYNZNSL-OAHLLOKOSA-N 1 0 380.535 2.482 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)cc1Br ZINC000097173656 643095193 /nfs/dbraw/zinc/09/51/93/643095193.db2.gz IVYCUVBWMMXBEE-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1Br ZINC000097173658 643095270 /nfs/dbraw/zinc/09/52/70/643095270.db2.gz IVYCUVBWMMXBEE-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000537608416 650818291 /nfs/dbraw/zinc/81/82/91/650818291.db2.gz JNJHHMPMHPDACP-SMDDNHRTSA-N 1 0 395.301 2.312 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)s1 ZINC000494628961 650813297 /nfs/dbraw/zinc/81/32/97/650813297.db2.gz APBQIOPNTGYGSF-WMLDXEAASA-N 1 0 385.599 2.393 20 0 GEADRO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H](CO)c2sccc2C)C1=O ZINC000494641335 650813673 /nfs/dbraw/zinc/81/36/73/650813673.db2.gz FJAPQXSAEZCOII-STQMWFEESA-N 1 0 380.491 2.333 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000101988664 643119870 /nfs/dbraw/zinc/11/98/70/643119870.db2.gz JIXWVIRDACRGDN-INIZCTEOSA-N 1 0 382.302 2.227 20 0 GEADRO CCC[NH+](CCC)CCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000102766781 643137989 /nfs/dbraw/zinc/13/79/89/643137989.db2.gz NIONPWYMUYAWLW-UHFFFAOYSA-N 1 0 390.571 2.418 20 0 GEADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)c1 ZINC000104749251 643191631 /nfs/dbraw/zinc/19/16/31/643191631.db2.gz DFDSJDWDRLRSRF-UHFFFAOYSA-N 1 0 385.848 2.394 20 0 GEADRO CC[NH+]1CCC(NC(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000494997195 650820245 /nfs/dbraw/zinc/82/02/45/650820245.db2.gz JNZTYFWMHQQHHL-UHFFFAOYSA-N 1 0 390.347 2.499 20 0 GEADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000495004783 650820624 /nfs/dbraw/zinc/82/06/24/650820624.db2.gz HPCVEGSRLZTHGF-ZDUSSCGKSA-N 1 0 388.249 2.317 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cccc(Br)c2)C1 ZINC000104969141 643197719 /nfs/dbraw/zinc/19/77/19/643197719.db2.gz JQDLYEKHEMEUFR-LBPRGKRZSA-N 1 0 383.290 2.158 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccccc2Br)C1 ZINC000104968927 643197816 /nfs/dbraw/zinc/19/78/16/643197816.db2.gz UBQQBUCNPQACKS-LBPRGKRZSA-N 1 0 383.290 2.158 20 0 GEADRO Cc1c(Br)cccc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000105032061 643199156 /nfs/dbraw/zinc/19/91/56/643199156.db2.gz HSXSSPJFEPPLOB-CYBMUJFWSA-N 1 0 397.317 2.466 20 0 GEADRO CC1(C)NC(=O)CC[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000495066664 650822729 /nfs/dbraw/zinc/82/27/29/650822729.db2.gz MJUKPRLBWJMEPA-CQSZACIVSA-N 1 0 382.302 2.216 20 0 GEADRO Cc1cc(COc2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2Br)no1 ZINC000495140681 650823064 /nfs/dbraw/zinc/82/30/64/650823064.db2.gz ONQXVEYSXVMCOE-VIKVFOODSA-N 1 0 392.253 2.272 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000106364204 643229502 /nfs/dbraw/zinc/22/95/02/643229502.db2.gz ZGJUVIHJZWUCMT-KBPBESRZSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)Cc1cc(Br)cs1 ZINC000106580142 643234222 /nfs/dbraw/zinc/23/42/22/643234222.db2.gz BSKMAVICAYPBMR-LBPRGKRZSA-N 1 0 389.363 2.288 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000106558165 643234390 /nfs/dbraw/zinc/23/43/90/643234390.db2.gz RGFLBBXALFMLCG-SUMWQHHRSA-N 1 0 395.345 2.372 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000106773178 643237940 /nfs/dbraw/zinc/23/79/40/643237940.db2.gz WKCOKSFQEQUMQO-UHFFFAOYSA-N 1 0 395.301 2.285 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(OC)cc3Br)C2)CC1 ZINC000106800904 643238924 /nfs/dbraw/zinc/23/89/24/643238924.db2.gz NEXGGUXPURQSFQ-AWEZNQCLSA-N 1 0 396.329 2.310 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(OC)c(Br)c3)C2)CC1 ZINC000106806542 643239542 /nfs/dbraw/zinc/23/95/42/643239542.db2.gz BOMXWOZCOPECPP-OAHLLOKOSA-N 1 0 396.329 2.310 20 0 GEADRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000106865572 643242203 /nfs/dbraw/zinc/24/22/03/643242203.db2.gz XRTQBYRTFQUWMQ-BXUZGUMPSA-N 1 0 388.249 2.465 20 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[NH3+][C@@H](CC(F)F)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000498211031 650851472 /nfs/dbraw/zinc/85/14/72/650851472.db2.gz COBWSTVTTDDVSL-WPRPVWTQSA-N 1 0 386.752 2.431 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]([NH3+])CC(F)F)n2)cc1 ZINC000498216679 650851840 /nfs/dbraw/zinc/85/18/40/650851840.db2.gz OHYHLIOAGHBSEO-JTQLQIEISA-N 1 0 390.437 2.103 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)ccc2OC)CC1 ZINC000120433235 643606786 /nfs/dbraw/zinc/60/67/86/643606786.db2.gz WYKOBEKENLNVRG-CYBMUJFWSA-N 1 0 384.318 2.214 20 0 GEADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C1 ZINC000120467469 643609364 /nfs/dbraw/zinc/60/93/64/643609364.db2.gz FBBDVIKNBYIIFX-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO CC(C)C[C@H](CNC(=O)CN(C)C(=O)c1ccc(Br)o1)[NH+](C)C ZINC000120496665 643612399 /nfs/dbraw/zinc/61/23/99/643612399.db2.gz JLVWIGTUSBZUAX-GFCCVEGCSA-N 1 0 388.306 2.207 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000120507740 643612940 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389.253 2.470 20 0 GEADRO C[C@@H]([NH2+]Cc1ccccc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000152949295 643976251 /nfs/dbraw/zinc/97/62/51/643976251.db2.gz RXUPBJKEEJESFR-CQSZACIVSA-N 1 0 382.507 2.263 20 0 GEADRO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000541801424 650881200 /nfs/dbraw/zinc/88/12/00/650881200.db2.gz SUDLRUJKSCNDEP-AWEZNQCLSA-N 1 0 377.238 2.364 20 0 GEADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)ccc1Cl ZINC000153238239 643982706 /nfs/dbraw/zinc/98/27/06/643982706.db2.gz QKIKEPRDTBODDE-CHWSQXEVSA-N 1 0 385.917 2.261 20 0 GEADRO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1I ZINC000153469950 643987680 /nfs/dbraw/zinc/98/76/80/643987680.db2.gz DMKBTTBQMDZBII-NSHDSACASA-N 1 0 388.249 2.371 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000153553178 643992346 /nfs/dbraw/zinc/99/23/46/643992346.db2.gz QUAXXWGQULUPAW-ZDUSSCGKSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(I)cc2)CC[N@@H+]1C ZINC000541814278 650882262 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COc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(I)c1 ZINC000156633584 644108723 /nfs/dbraw/zinc/10/87/23/644108723.db2.gz FAYROBAEEJTIDN-QMTHXVAHSA-N 1 0 388.249 2.499 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@@H]1C[NH3+] ZINC000156667317 644111045 /nfs/dbraw/zinc/11/10/45/644111045.db2.gz XSSPKQZSMRZXEF-MEBBXXQBSA-N 1 0 378.270 2.490 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000156674627 644111798 /nfs/dbraw/zinc/11/17/98/644111798.db2.gz MSBDTPMDHJKYAH-WBMJQRKESA-N 1 0 390.281 2.388 20 0 GEADRO C[C@H]1CCCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)[C@H]1C[NH3+] ZINC000156695180 644113085 /nfs/dbraw/zinc/11/30/85/644113085.db2.gz JXYRQSINRCVATN-FZMZJTMJSA-N 1 0 379.917 2.473 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000156837126 644120582 /nfs/dbraw/zinc/12/05/82/644120582.db2.gz COEUSLPMRAYBML-LBPRGKRZSA-N 1 0 388.331 2.283 20 0 GEADRO CCOC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000156865456 644122373 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GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000162414425 644236680 /nfs/dbraw/zinc/23/66/80/644236680.db2.gz BQYXTTWCCCZNRC-UHFFFAOYSA-N 1 0 384.249 2.270 20 0 GEADRO C[C@@H](CNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)[N@H+](C)C1CC1 ZINC000162958971 644242625 /nfs/dbraw/zinc/24/26/25/644242625.db2.gz IKYCCLPQSXZSOM-NHYWBVRUSA-N 1 0 385.917 2.293 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000163195322 644252175 /nfs/dbraw/zinc/25/21/75/644252175.db2.gz BXIUIEOUUNBELD-QWHCGFSZSA-N 1 0 379.448 2.130 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000163208099 644252616 /nfs/dbraw/zinc/25/26/16/644252616.db2.gz KXJBBMWZZABOFL-CQSZACIVSA-N 1 0 395.253 2.412 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000164165433 644259864 /nfs/dbraw/zinc/25/98/64/644259864.db2.gz MWLOIFYIQMTEDT-IUODEOHRSA-N 1 0 381.318 2.466 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(Br)nc3)C2)CC1 ZINC000166806414 644278486 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CC(C)C[NH+]1CCN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000171038028 644302904 /nfs/dbraw/zinc/30/29/04/644302904.db2.gz QGIGDQFWBUNVOI-KRWDZBQOSA-N 1 0 384.933 2.400 20 0 GEADRO CC[N@H+](CCNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C1CC1 ZINC000171140389 644313662 /nfs/dbraw/zinc/31/36/62/644313662.db2.gz YQPFHCCGZHUGHK-UHFFFAOYSA-N 1 0 389.315 2.067 20 0 GEADRO C[C@@H](CNC(=O)c1cc2c(cccc2Br)[nH]1)N1CC[NH+](C)CC1 ZINC000171133427 644313716 /nfs/dbraw/zinc/31/37/16/644313716.db2.gz ZEUJTAQLXHZORX-LBPRGKRZSA-N 1 0 379.302 2.296 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCSC(F)(F)F)CC1 ZINC000171642849 644331244 /nfs/dbraw/zinc/33/12/44/644331244.db2.gz MASLWDUYOBMSMS-KBPBESRZSA-N 1 0 382.496 2.439 20 0 GEADRO S=c1sc(N2CCOCC2)nn1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172511537 644340639 /nfs/dbraw/zinc/34/06/39/644340639.db2.gz KOYKCHCUZQQKJA-UHFFFAOYSA-N 1 0 383.587 2.418 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000173461770 644358734 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CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccn2c(I)cnc12 ZINC000176785931 644405670 /nfs/dbraw/zinc/40/56/70/644405670.db2.gz SMNDEIPIMAACSF-LLVKDONJSA-N 1 0 398.248 2.153 20 0 GEADRO C[N@H+](CCN1CCN(C(=O)[C@@H]2CSCCS2)CC1)Cc1ccccc1 ZINC000177107909 644409659 /nfs/dbraw/zinc/40/96/59/644409659.db2.gz AIKAISCZTSHQGS-SFHVURJKSA-N 1 0 379.595 2.111 20 0 GEADRO CN(C(=O)c1cccn2c(I)cnc12)[C@@H]1CCC[N@H+](C)C1 ZINC000177230164 644412354 /nfs/dbraw/zinc/41/23/54/644412354.db2.gz RKIGLFHCLSEELT-LLVKDONJSA-N 1 0 398.248 2.105 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)N3CC[C@@H](C[NH3+])C3)[nH]c(=O)c2c1C ZINC000178550808 644434428 /nfs/dbraw/zinc/43/44/28/644434428.db2.gz JZCMUDBUEMDNIS-NEPJUHHUSA-N 1 0 380.539 2.030 20 0 GEADRO CN(CCC(=O)NCc1nc2cc(Br)cnc2[nH]1)c1cc[nH+]cc1 ZINC000543714923 650920884 /nfs/dbraw/zinc/92/08/84/650920884.db2.gz PENXQGXPMOMEBJ-UHFFFAOYSA-N 1 0 389.257 2.258 20 0 GEADRO CCc1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000543772515 650923421 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C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000545875834 650983145 /nfs/dbraw/zinc/98/31/45/650983145.db2.gz QSMRHCUCKDGQRJ-JTQLQIEISA-N 1 0 375.803 2.338 20 0 GEADRO CCN(C[C@H](O)C(F)(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000190294471 645149660 /nfs/dbraw/zinc/14/96/60/645149660.db2.gz MYYJTRPKWFYQMK-ZDUSSCGKSA-N 1 0 383.480 2.303 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545871544 650983236 /nfs/dbraw/zinc/98/32/36/650983236.db2.gz FLQBZFMARWIUBE-UHFFFAOYSA-N 1 0 380.286 2.464 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000190498212 645158098 /nfs/dbraw/zinc/15/80/98/645158098.db2.gz UTHFMRAMUUBPSV-UHFFFAOYSA-N 1 0 383.901 2.496 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(Br)c3F)C2)CC1 ZINC000192115561 645194816 /nfs/dbraw/zinc/19/48/16/645194816.db2.gz XTXLSCHVGWKUID-CYBMUJFWSA-N 1 0 384.293 2.440 20 0 GEADRO O=c1oc2cc(F)c(Br)cc2n1CN1CC[NH+](CC2CC2)CC1 ZINC000192156460 645197039 /nfs/dbraw/zinc/19/70/39/645197039.db2.gz BDGOKBVLEVSNJX-UHFFFAOYSA-N 1 0 384.249 2.481 20 0 GEADRO COc1cccc2c1CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)C2 ZINC000192446027 645207091 /nfs/dbraw/zinc/20/70/91/645207091.db2.gz FVAKFXMVJMKNJJ-GJZGRUSLSA-N 1 0 381.519 2.038 20 0 GEADRO C[C@]([NH3+])(C(=O)NC[C@@H](O)COc1ccccc1Br)c1ccccc1 ZINC000192500550 645210240 /nfs/dbraw/zinc/21/02/40/645210240.db2.gz CKMGYMDRRVJVTE-RDTXWAMCSA-N 1 0 393.281 2.179 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000192685707 645221350 /nfs/dbraw/zinc/22/13/50/645221350.db2.gz XNXJLTSNBSEGFM-IINYFYTJSA-N 1 0 379.295 2.396 20 0 GEADRO C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)Cc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000192903913 645228863 /nfs/dbraw/zinc/22/88/63/645228863.db2.gz LDPKXLPAYHLOCP-TXEJJXNPSA-N 1 0 388.295 2.183 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(F)cc3Br)C[C@@H]2C1 ZINC000192918008 645230281 /nfs/dbraw/zinc/23/02/81/645230281.db2.gz XSWHRXGHWRRZEO-DTORHVGOSA-N 1 0 397.697 2.424 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)ncc1Br ZINC000192926074 645230635 /nfs/dbraw/zinc/23/06/35/645230635.db2.gz OWVJULKDKNSLCJ-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000193101542 645241386 /nfs/dbraw/zinc/24/13/86/645241386.db2.gz WNAQMEIEFWLAJE-UHFFFAOYSA-N 1 0 399.866 2.275 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000193104597 645241705 /nfs/dbraw/zinc/24/17/05/645241705.db2.gz MPZGBJIQTPFYSK-LBPRGKRZSA-N 1 0 380.341 2.298 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000193105233 645241766 /nfs/dbraw/zinc/24/17/66/645241766.db2.gz JTPGRAQRYALTPI-CYBMUJFWSA-N 1 0 379.448 2.010 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000193240334 645254749 /nfs/dbraw/zinc/25/47/49/645254749.db2.gz JFCWLPLYTWSIFC-MRVWCRGKSA-N 1 0 376.906 2.302 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000193244237 645254774 /nfs/dbraw/zinc/25/47/74/645254774.db2.gz ANYOYAZJGNTAHF-KGLIPLIRSA-N 1 0 388.917 2.033 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193246214 645255402 /nfs/dbraw/zinc/25/54/02/645255402.db2.gz GYDWCWMKMHJOSS-HIFRSBDPSA-N 1 0 388.917 2.257 20 0 GEADRO [NH3+]C1CCC(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC000193249198 645255590 /nfs/dbraw/zinc/25/55/90/645255590.db2.gz UDSLJUPFPLDLBH-LRVUVFPRSA-N 1 0 388.917 2.304 20 0 GEADRO CC[NH2+]CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000193255765 645256597 /nfs/dbraw/zinc/25/65/97/645256597.db2.gz VVSCWACQCQHWGX-CQSZACIVSA-N 1 0 376.906 2.176 20 0 GEADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1 ZINC000193260155 645257117 /nfs/dbraw/zinc/25/71/17/645257117.db2.gz YNOWYVYLFNEKPE-JTQLQIEISA-N 1 0 389.315 2.132 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ncc1Br ZINC000193283019 645260890 /nfs/dbraw/zinc/26/08/90/645260890.db2.gz AOLNGUVDUAVZPO-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193281985 645261111 /nfs/dbraw/zinc/26/11/11/645261111.db2.gz GRNORYQPIKPFKL-CYBMUJFWSA-N 1 0 380.286 2.087 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[N@H+](C)C1CC1 ZINC000193286738 645262029 /nfs/dbraw/zinc/26/20/29/645262029.db2.gz ZQDLQLKDGJWLLC-LLVKDONJSA-N 1 0 394.313 2.475 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000193293074 645262975 /nfs/dbraw/zinc/26/29/75/645262975.db2.gz BAUQXYHUJRXBBW-QMTHXVAHSA-N 1 0 377.304 2.254 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193303084 645264195 /nfs/dbraw/zinc/26/41/95/645264195.db2.gz BDVOJNLHRGNPFV-ZDUSSCGKSA-N 1 0 391.331 2.378 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000193305119 645264838 /nfs/dbraw/zinc/26/48/38/645264838.db2.gz DMLWUDBOYOHUBX-UHFFFAOYSA-N 1 0 394.313 2.334 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ncccc1Br ZINC000193313026 645266001 /nfs/dbraw/zinc/26/60/01/645266001.db2.gz 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20 0 GEADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331205952 647370485 /nfs/dbraw/zinc/37/04/85/647370485.db2.gz XXMZFQZHROICMG-CFVMTHIKSA-N 1 0 387.933 2.425 20 0 GEADRO C[C@@H](O)C1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000331259735 647374789 /nfs/dbraw/zinc/37/47/89/647374789.db2.gz JELHMRRHXHCSOI-IAQYHMDHSA-N 1 0 376.266 2.421 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000331370796 647382912 /nfs/dbraw/zinc/38/29/12/647382912.db2.gz GGNWDBNEZBISPD-OLZOCXBDSA-N 1 0 397.317 2.500 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000331375198 647383512 /nfs/dbraw/zinc/38/35/12/647383512.db2.gz HQPUUFNIDJMEGC-CYBMUJFWSA-N 1 0 383.290 2.241 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000331398057 647383943 /nfs/dbraw/zinc/38/39/43/647383943.db2.gz KZZLCTLRFPJKTP-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000331407177 647385110 /nfs/dbraw/zinc/38/51/10/647385110.db2.gz IPCDWDVREBEZFA-CQDKDKBSSA-N 1 0 380.286 2.002 20 0 GEADRO CS[C@@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C[C@H]1[NH+](C)C ZINC000331590510 647391829 /nfs/dbraw/zinc/39/18/29/647391829.db2.gz BCDCTMBVVFQLBP-UKRRQHHQSA-N 1 0 383.901 2.142 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000331860979 647401537 /nfs/dbraw/zinc/40/15/37/647401537.db2.gz IRGDOEJQKVODEH-XHDPSFHLSA-N 1 0 398.276 2.072 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1Br ZINC000332073086 647410580 /nfs/dbraw/zinc/41/05/80/647410580.db2.gz XLTMWWNABWCFGQ-YPMHNXCESA-N 1 0 398.276 2.388 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2cc3c(c(Br)c2)OCO3)CCSC1 ZINC000332124862 647413868 /nfs/dbraw/zinc/41/38/68/647413868.db2.gz IZLAUHHTQSGLNF-HNNXBMFYSA-N 1 0 387.299 2.345 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1Br ZINC000332318977 647432365 /nfs/dbraw/zinc/43/23/65/647432365.db2.gz JGISPTALBLCFTF-YNEHKIRRSA-N 1 0 380.286 2.282 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1Br ZINC000332318970 647432382 /nfs/dbraw/zinc/43/23/82/647432382.db2.gz JGISPTALBLCFTF-RWMBFGLXSA-N 1 0 380.286 2.282 20 0 GEADRO CSc1ccc(Cl)c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000332329958 647433519 /nfs/dbraw/zinc/43/35/19/647433519.db2.gz SDIZAEXCXJHHRB-MRXNPFEDSA-N 1 0 381.929 2.487 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C)c1Br ZINC000332536284 647442483 /nfs/dbraw/zinc/44/24/83/647442483.db2.gz ATCHTUCWOOHQEO-OCCSQVGLSA-N 1 0 380.286 2.215 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332543168 647443683 /nfs/dbraw/zinc/44/36/83/647443683.db2.gz DXBFPTRJOHBRGT-UWVGGRQHSA-N 1 0 386.677 2.109 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332573700 647447419 /nfs/dbraw/zinc/44/74/19/647447419.db2.gz BVEAYDSLARLUMS-ZDUSSCGKSA-N 1 0 386.677 2.348 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC000332573440 647447621 /nfs/dbraw/zinc/44/76/21/647447621.db2.gz BQYTYUAHPRLVQO-YPMHNXCESA-N 1 0 384.307 2.464 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332579646 647448549 /nfs/dbraw/zinc/44/85/49/647448549.db2.gz ZZHHLZIPPCUFBC-SKDRFNHKSA-N 1 0 386.677 2.251 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000332635527 647450058 /nfs/dbraw/zinc/45/00/58/647450058.db2.gz SOMVOVXGZBYYIH-UHFFFAOYSA-N 1 0 382.302 2.027 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000332990714 647457687 /nfs/dbraw/zinc/45/76/87/647457687.db2.gz BDIHGFBVEOTJMQ-LLVKDONJSA-N 1 0 377.304 2.026 20 0 GEADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333091157 647460595 /nfs/dbraw/zinc/46/05/95/647460595.db2.gz CLGUSBMTRUYJDU-TXEJJXNPSA-N 1 0 376.258 2.318 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000333094975 647460869 /nfs/dbraw/zinc/46/08/69/647460869.db2.gz CZVCAXWDGFHCRC-INIZCTEOSA-N 1 0 396.329 2.463 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1=O ZINC000333092846 647461069 /nfs/dbraw/zinc/46/10/69/647461069.db2.gz CRHKNADSZSDPBM-NWDGAFQWSA-N 1 0 383.290 2.001 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)c1=O ZINC000333101628 647461994 /nfs/dbraw/zinc/46/19/94/647461994.db2.gz DXAOFUHJBCKOJY-UHFFFAOYSA-N 1 0 383.290 2.145 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000333238580 647467001 /nfs/dbraw/zinc/46/70/01/647467001.db2.gz DKRAWPILFGTVIE-ZBFHGGJFSA-N 1 0 395.297 2.298 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000333601050 647475523 /nfs/dbraw/zinc/47/55/23/647475523.db2.gz CRFGILVLDPVCCC-CHWSQXEVSA-N 1 0 393.289 2.582 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)CCSC1 ZINC000333598028 647475743 /nfs/dbraw/zinc/47/57/43/647475743.db2.gz MCYMIOCQEBMDEQ-DXCKQFNASA-N 1 0 385.555 2.058 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333632933 647477196 /nfs/dbraw/zinc/47/71/96/647477196.db2.gz GXFDXOWCHCNDIQ-DOMZBBRYSA-N 1 0 391.320 2.383 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000333636248 647477934 /nfs/dbraw/zinc/47/79/34/647477934.db2.gz HJUQMWDDSAHKGJ-HOCLYGCPSA-N 1 0 376.881 2.386 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333755414 647480468 /nfs/dbraw/zinc/48/04/68/647480468.db2.gz ZQQJRAPPTUDADY-OCCSQVGLSA-N 1 0 391.320 2.383 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000334095535 647490381 /nfs/dbraw/zinc/49/03/81/647490381.db2.gz RKXSJVFXELJLHJ-CYBMUJFWSA-N 1 0 384.322 2.343 20 0 GEADRO COc1ccc([C@H]2NC(=O)N(C3CC[NH+](C)CC3)C2=O)cc1Br ZINC000349266191 647502337 /nfs/dbraw/zinc/50/23/37/647502337.db2.gz MBKPMURYIWTNCF-CQSZACIVSA-N 1 0 382.258 2.145 20 0 GEADRO CCOC(=O)CCS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000361103652 647559632 /nfs/dbraw/zinc/55/96/32/647559632.db2.gz OKTLXODQWCNBAM-RHSMWYFYSA-N 1 0 388.917 2.205 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cccnc2Br)CCN1C1CC[NH+](C)CC1 ZINC000362327577 647569325 /nfs/dbraw/zinc/56/93/25/647569325.db2.gz TXLIQNILCZIGSA-ZDUSSCGKSA-N 1 0 396.333 2.476 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362806885 647573853 /nfs/dbraw/zinc/57/38/53/647573853.db2.gz PJZLKHJHRCBPJJ-QWHCGFSZSA-N 1 0 379.309 2.276 20 0 GEADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363075650 647582725 /nfs/dbraw/zinc/58/27/25/647582725.db2.gz USMPJEHQGWHCCG-LBPRGKRZSA-N 1 0 377.279 2.447 20 0 GEADRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000363265247 647590277 /nfs/dbraw/zinc/59/02/77/647590277.db2.gz ZUSMWQRYFDUYEG-OAHLLOKOSA-N 1 0 390.285 2.453 20 0 GEADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000363265246 647590354 /nfs/dbraw/zinc/59/03/54/647590354.db2.gz ZUSMWQRYFDUYEG-HNNXBMFYSA-N 1 0 390.285 2.453 20 0 GEADRO O=S(=O)(c1c(F)cccc1Cl)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000364064377 647617261 /nfs/dbraw/zinc/61/72/61/647617261.db2.gz QKRDYMGKAHTYHE-OLZOCXBDSA-N 1 0 376.881 2.089 20 0 GEADRO CSc1nc2ncnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)c2s1 ZINC000364071115 647618037 /nfs/dbraw/zinc/61/80/37/647618037.db2.gz KUPFCUOFENXAQV-ZDUSSCGKSA-N 1 0 378.571 2.413 20 0 GEADRO CSc1nc(C)c(CCC(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c(C)n1 ZINC000364143575 647618881 /nfs/dbraw/zinc/61/88/81/647618881.db2.gz HJZXNCKYXFTBSO-HNNXBMFYSA-N 1 0 380.583 2.398 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(c2nccs2)C1 ZINC000364147079 647618932 /nfs/dbraw/zinc/61/89/32/647618932.db2.gz SRIWYURSCJJFQQ-CYBMUJFWSA-N 1 0 378.523 2.148 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000364329116 647621472 /nfs/dbraw/zinc/62/14/72/647621472.db2.gz PVNPYYNJQXXTFK-SJORKVTESA-N 1 0 386.945 2.165 20 0 GEADRO O=C(CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)NCC(F)(F)F ZINC000364480479 647628439 /nfs/dbraw/zinc/62/84/39/647628439.db2.gz VUGOJIDLYNYFDD-UHFFFAOYSA-N 1 0 397.850 2.408 20 0 GEADRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000364580370 647637291 /nfs/dbraw/zinc/63/72/91/647637291.db2.gz OIHWSISHLHNUES-OAHLLOKOSA-N 1 0 386.279 2.159 20 0 GEADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000364577852 647637388 /nfs/dbraw/zinc/63/73/88/647637388.db2.gz KDTDDRYCPQKWCM-YUDUHTQSSA-N 1 0 392.297 2.283 20 0 GEADRO CC[C@H](NC(=O)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1)c1cccs1 ZINC000364776789 647642060 /nfs/dbraw/zinc/64/20/60/647642060.db2.gz KBZZYVIQISYDCZ-GJZGRUSLSA-N 1 0 385.555 2.150 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CSc2cccc(Br)c2)CC1 ZINC000364929722 647649623 /nfs/dbraw/zinc/64/96/23/647649623.db2.gz BYJCNDSWCGMZOC-CYBMUJFWSA-N 1 0 387.343 2.456 20 0 GEADRO CS[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000365444627 647669161 /nfs/dbraw/zinc/66/91/61/647669161.db2.gz BPZJNNYFVNZCDW-NOXHYTERSA-N 1 0 386.587 2.074 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365543481 647675307 /nfs/dbraw/zinc/67/53/07/647675307.db2.gz CMFQKMBAPIJYNC-HEHGZKQESA-N 1 0 392.297 2.330 20 0 GEADRO NS(=O)(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000365551388 647676691 /nfs/dbraw/zinc/67/66/91/647676691.db2.gz LJOIUSULDXPPDT-UHFFFAOYSA-N 1 0 394.324 2.323 20 0 GEADRO CC(C)CCc1nc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000365774456 647687687 /nfs/dbraw/zinc/68/76/87/647687687.db2.gz XJOAQTITUVWOAQ-MRXNPFEDSA-N 1 0 385.599 2.473 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cccc(C)c1I ZINC000366962296 647711117 /nfs/dbraw/zinc/71/11/17/647711117.db2.gz LGUNTRLYEZSBEV-QWRGUYRKSA-N 1 0 376.213 2.372 20 0 GEADRO COCCC[N@@H+]1CCCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000366967463 647711812 /nfs/dbraw/zinc/71/18/12/647711812.db2.gz XNCMFGZUOQVLDX-UHFFFAOYSA-N 1 0 396.329 2.447 20 0 GEADRO C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000367281961 647726497 /nfs/dbraw/zinc/72/64/97/647726497.db2.gz FNGIGIXEFJOWIW-SFHVURJKSA-N 1 0 385.961 2.272 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000367291070 647727320 /nfs/dbraw/zinc/72/73/20/647727320.db2.gz PFVZACBNSJYHCU-BXUZGUMPSA-N 1 0 375.252 2.254 20 0 GEADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000367308118 647728269 /nfs/dbraw/zinc/72/82/69/647728269.db2.gz NFVQUXUWACGEGO-GJZGRUSLSA-N 1 0 379.302 2.128 20 0 GEADRO O=S1(=O)CCC(CN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000367548547 647737217 /nfs/dbraw/zinc/73/72/17/647737217.db2.gz CQIONQWLMFLUJL-AWEZNQCLSA-N 1 0 378.416 2.378 20 0 GEADRO [NH2+]=C(NO)[C@H]1CCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000368525235 647757656 /nfs/dbraw/zinc/75/76/56/647757656.db2.gz OGZYZPKWWRZJGB-LLVKDONJSA-N 1 0 391.216 2.476 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000368630511 647761764 /nfs/dbraw/zinc/76/17/64/647761764.db2.gz DSYRURZEWWINQU-CQSZACIVSA-N 1 0 387.299 2.072 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369249826 647774064 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C[C@@H]1CN(C(=O)Cc2cccc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374334977 647821557 /nfs/dbraw/zinc/82/15/57/647821557.db2.gz YKHKMQCAZQVYMM-QAPCUYQASA-N 1 0 394.357 2.476 20 0 GEADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000374814797 647827344 /nfs/dbraw/zinc/82/73/44/647827344.db2.gz MWKDOSKNUKHTEE-DLBZAZTESA-N 1 0 375.485 2.018 20 0 GEADRO O=C(CC[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1)Nc1ccc(Cl)cc1 ZINC000374822855 647827702 /nfs/dbraw/zinc/82/77/02/647827702.db2.gz JFVVZLJIIACMHC-UHFFFAOYSA-N 1 0 385.917 2.169 20 0 GEADRO C[C@H]([NH2+]CCNc1cnccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479390570 647830251 /nfs/dbraw/zinc/83/02/51/647830251.db2.gz WTYLLKKBYQIOTG-VIFPVBQESA-N 1 0 390.296 2.194 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000376287360 647842008 /nfs/dbraw/zinc/84/20/08/647842008.db2.gz UPWZPJOMWRHAGR-GHMZBOCLSA-N 1 0 394.269 2.137 20 0 GEADRO Cc1nc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)sc1Br ZINC000376353905 647842881 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[NH3+][C@@H]1CCC[C@]12CCN(S(=O)(=O)c1cc(Br)cnc1Cl)C2 ZINC000377273193 647858992 /nfs/dbraw/zinc/85/89/92/647858992.db2.gz LGMGLYOLSRYVEM-DGCLKSJQSA-N 1 0 394.722 2.390 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(Br)n1 ZINC000377271245 647859113 /nfs/dbraw/zinc/85/91/13/647859113.db2.gz RWZSSBGETYMFRP-JSGCOSHPSA-N 1 0 395.301 2.176 20 0 GEADRO O=C(CN1CCC(CC[NH+]2CCOCC2)CC1)NCc1ccc(Cl)s1 ZINC000377514391 647861063 /nfs/dbraw/zinc/86/10/63/647861063.db2.gz YKVCBEFTBYVLOU-UHFFFAOYSA-N 1 0 385.961 2.452 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c(Br)cc1O ZINC000377727502 647866034 /nfs/dbraw/zinc/86/60/34/647866034.db2.gz UXLJCJFMMAJKIS-MRRJBJDNSA-N 1 0 399.285 2.079 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000377822416 647866846 /nfs/dbraw/zinc/86/68/46/647866846.db2.gz BHAFELPOHOCICF-HNNXBMFYSA-N 1 0 384.929 2.448 20 0 GEADRO Cc1cccc(S(=O)(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1Cl ZINC000378444280 647881678 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CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000400169488 647902326 /nfs/dbraw/zinc/90/23/26/647902326.db2.gz KSPFULZQDHIHPI-GXTWGEPZSA-N 1 0 389.315 2.286 20 0 GEADRO O[C@]1(CC[NH2+]Cc2c(Br)cncc2Br)CCOC1 ZINC000404149293 647907187 /nfs/dbraw/zinc/90/71/87/647907187.db2.gz ODZWQDHSJOIQEM-GFCCVEGCSA-N 1 0 380.080 2.238 20 0 GEADRO CCO[C@@H]1CN(Cc2ncc(Br)cc2Br)C[C@H]1C[NH3+] ZINC000405299231 647910161 /nfs/dbraw/zinc/91/01/61/647910161.db2.gz MNMRHOTXMBVFNB-NOZJJQNGSA-N 1 0 393.123 2.402 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)C[C@H]1C[NH3+] ZINC000405638704 647910878 /nfs/dbraw/zinc/91/08/78/647910878.db2.gz BZCPDTVAMCBXIH-BXKDBHETSA-N 1 0 397.722 2.087 20 0 GEADRO O=S(=O)(c1cncc(Br)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000408201125 647936103 /nfs/dbraw/zinc/93/61/03/647936103.db2.gz GVJSTHKFZDMHTE-AWEZNQCLSA-N 1 0 388.331 2.483 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000409687665 647977807 /nfs/dbraw/zinc/97/78/07/647977807.db2.gz TWOGOAVISBSRPH-HOCLYGCPSA-N 1 0 399.329 2.425 20 0 GEADRO COCC(COC)[NH+]1CCN(Cc2ccc(OC)c(Br)c2)CC1 ZINC000411869258 648037407 /nfs/dbraw/zinc/03/74/07/648037407.db2.gz ZZSOJNZRISPSCO-UHFFFAOYSA-N 1 0 387.318 2.237 20 0 GEADRO CNc1cc(I)ccc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000412308670 648047457 /nfs/dbraw/zinc/04/74/57/648047457.db2.gz QALSPXAYWHNFMV-UHFFFAOYSA-N 1 0 385.249 2.325 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412314710 648047937 /nfs/dbraw/zinc/04/79/37/648047937.db2.gz SOWRYCONAHGCIN-UHFFFAOYSA-N 1 0 396.329 2.335 20 0 GEADRO C[C@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000412463997 648049540 /nfs/dbraw/zinc/04/95/40/648049540.db2.gz OCFFWLVCXJZUOI-AWEZNQCLSA-N 1 0 385.961 2.418 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc(Cl)c(F)c2F)C1 ZINC000413020339 648056673 /nfs/dbraw/zinc/05/66/73/648056673.db2.gz XHGDBBDJNSRJEH-LBPRGKRZSA-N 1 0 376.831 2.470 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCC(C)(C)S(C)(=O)=O)C1 ZINC000413163139 648060756 /nfs/dbraw/zinc/06/07/56/648060756.db2.gz PHCRABHMNVCCMC-GASCZTMLSA-N 1 0 375.579 2.255 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCC(C)(C)S(C)(=O)=O)C1 ZINC000413163140 648060920 /nfs/dbraw/zinc/06/09/20/648060920.db2.gz PHCRABHMNVCCMC-GJZGRUSLSA-N 1 0 375.579 2.255 20 0 GEADRO C[NH+](C)CCOCCNC(=O)NCc1cc(Cl)cc(Br)c1 ZINC000413474148 648065610 /nfs/dbraw/zinc/06/56/10/648065610.db2.gz JCHYAFILPMWOOZ-UHFFFAOYSA-N 1 0 378.698 2.480 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCCOCC2CC2)cc1Br ZINC000414273384 648089443 /nfs/dbraw/zinc/08/94/43/648089443.db2.gz ZDAMHOUBHBODMW-UHFFFAOYSA-N 1 0 377.304 2.003 20 0 GEADRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(S(C)(=O)=O)s3)nc2)C1 ZINC000414286876 648090393 /nfs/dbraw/zinc/09/03/93/648090393.db2.gz DDIHDZHHIPESMW-AWEZNQCLSA-N 1 0 380.539 2.299 20 0 GEADRO CC(C)CCOCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414308060 648091512 /nfs/dbraw/zinc/09/15/12/648091512.db2.gz VUTSNWMFDPXMTA-UHFFFAOYSA-N 1 0 379.320 2.249 20 0 GEADRO CO[C@@H]1CCN(C(=O)Nc2ccc(I)cc2)[C@@H](C[NH3+])C1 ZINC000414684096 648099599 /nfs/dbraw/zinc/09/95/99/648099599.db2.gz UUVGUIUYCKTYJN-CHWSQXEVSA-N 1 0 389.237 2.261 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NC[C@H]([NH3+])C(C)C)ccc1Cl ZINC000414707074 648100160 /nfs/dbraw/zinc/10/01/60/648100160.db2.gz BNOSNBFEHVBKAV-AWEZNQCLSA-N 1 0 390.937 2.475 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N(C)[C@@H](C)C[NH3+])ccc1Cl ZINC000414712546 648101240 /nfs/dbraw/zinc/10/12/40/648101240.db2.gz JJDPIZMLRJKFIF-NSHDSACASA-N 1 0 376.910 2.181 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCCC[NH2+]C)ccc1Cl ZINC000414717678 648101432 /nfs/dbraw/zinc/10/14/32/648101432.db2.gz PZTMENBNYIHEIK-UHFFFAOYSA-N 1 0 376.910 2.102 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414725969 648102460 /nfs/dbraw/zinc/10/24/60/648102460.db2.gz JRJLPNUFWZPGSI-UHFFFAOYSA-N 1 0 378.226 2.242 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000415415694 648103473 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O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415590178 648107250 /nfs/dbraw/zinc/10/72/50/648107250.db2.gz GNLQNALOGMQTGP-OAHLLOKOSA-N 1 0 386.677 2.253 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415586024 648107319 /nfs/dbraw/zinc/10/73/19/648107319.db2.gz XXSRSELLBMDESU-HTQZYQBOSA-N 1 0 392.656 2.376 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc(Br)c1F ZINC000415596414 648108528 /nfs/dbraw/zinc/10/85/28/648108528.db2.gz CGCVLJFCQIKJOG-VIFPVBQESA-N 1 0 398.179 2.479 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000415625640 648110805 /nfs/dbraw/zinc/11/08/05/648110805.db2.gz PQVCHCONEHGDFZ-ABAIWWIYSA-N 1 0 398.301 2.289 20 0 GEADRO O=C(Nc1cc(F)cc(Br)c1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415621300 648110811 /nfs/dbraw/zinc/11/08/11/648110811.db2.gz SNPHXHXMGUHKOO-NSHDSACASA-N 1 0 389.244 2.239 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415625811 648111395 /nfs/dbraw/zinc/11/13/95/648111395.db2.gz QQMXSWATLINZCU-MRVPVSSYSA-N 1 0 392.656 2.438 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)Nc1ccnn1-c1ccc(Br)cn1)C1CC1 ZINC000415629609 648111779 /nfs/dbraw/zinc/11/17/79/648111779.db2.gz BQILZNNSKIKZOU-HNNXBMFYSA-N 1 0 379.262 2.279 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415630299 648111802 /nfs/dbraw/zinc/11/18/02/648111802.db2.gz DLCZSAFQDDGQLY-OQPBUACISA-N 1 0 386.221 2.200 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c(F)cc1Br ZINC000415814983 648113882 /nfs/dbraw/zinc/11/38/82/648113882.db2.gz RPVWIMKLHBSZQQ-QWRGUYRKSA-N 1 0 386.265 2.469 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br)C1CC([NH3+])C1 ZINC000415815578 648114405 /nfs/dbraw/zinc/11/44/05/648114405.db2.gz SKSZEEHABGTVMB-UHFFFAOYSA-N 1 0 394.191 2.355 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)[C@@H](C)C1 ZINC000416411388 648116825 /nfs/dbraw/zinc/11/68/25/648116825.db2.gz ZOTIVAULPRZBMG-JSGCOSHPSA-N 1 0 388.917 2.477 20 0 GEADRO Cc1cccc(Cl)c1S(=O)(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000416452964 648129193 /nfs/dbraw/zinc/12/91/93/648129193.db2.gz QAYLPUXNBIWFJG-OAHLLOKOSA-N 1 0 385.961 2.437 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000416493602 648148062 /nfs/dbraw/zinc/14/80/62/648148062.db2.gz FPFCEIRJIKNNGL-CQSZACIVSA-N 1 0 387.933 2.111 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000416496315 648148908 /nfs/dbraw/zinc/14/89/08/648148908.db2.gz OUHKUKFGSNTPEF-NSHDSACASA-N 1 0 397.324 2.249 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000416498966 648150603 /nfs/dbraw/zinc/15/06/03/648150603.db2.gz ZLHMFUBWVMUXLK-UHFFFAOYSA-N 1 0 387.933 2.161 20 0 GEADRO COC(=O)C1(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)CCCC1 ZINC000416552802 648169465 /nfs/dbraw/zinc/16/94/65/648169465.db2.gz IBNAMJLLPREAON-UHFFFAOYSA-N 1 0 388.555 2.175 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000416558430 648171023 /nfs/dbraw/zinc/17/10/23/648171023.db2.gz OXFJZDJSOPLGKV-CYBMUJFWSA-N 1 0 388.917 2.445 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC1CCC([NH3+])CC1 ZINC000416836839 648214554 /nfs/dbraw/zinc/21/45/54/648214554.db2.gz WGCHLUZYJABDCE-UHFFFAOYSA-N 1 0 383.290 2.265 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000416835877 648214658 /nfs/dbraw/zinc/21/46/58/648214658.db2.gz USNZXCQGXJNYLA-ZDUSSCGKSA-N 1 0 397.317 2.385 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000417194912 648230646 /nfs/dbraw/zinc/23/06/46/648230646.db2.gz NKJZPLNZDZSPDI-SJORKVTESA-N 1 0 395.345 2.493 20 0 GEADRO O=C(CCNC(=O)NC[C@H]1CCC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000417211318 648232430 /nfs/dbraw/zinc/23/24/30/648232430.db2.gz FXIHUYCMRPFARU-LBPRGKRZSA-N 1 0 383.290 2.077 20 0 GEADRO C[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@H]1C[NH3+] ZINC000417213080 648232961 /nfs/dbraw/zinc/23/29/61/648232961.db2.gz FMLHHMFEWJRGFV-VXGBXAGGSA-N 1 0 380.290 2.223 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417227535 648234804 /nfs/dbraw/zinc/23/48/04/648234804.db2.gz QEMYQTSBRDJLNW-GXTWGEPZSA-N 1 0 383.290 2.347 20 0 GEADRO COCC1(CNC(=O)NCc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000417226864 648234843 /nfs/dbraw/zinc/23/48/43/648234843.db2.gz BDONMKNCOYCXNP-UHFFFAOYSA-N 1 0 388.281 2.404 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417231367 648235547 /nfs/dbraw/zinc/23/55/47/648235547.db2.gz YBCASHURLQQQFK-RYUDHWBXSA-N 1 0 383.290 2.156 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417231583 648235623 /nfs/dbraw/zinc/23/56/23/648235623.db2.gz YTFSTUBVMZBEPT-CQSZACIVSA-N 1 0 383.290 2.171 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417258429 648236791 /nfs/dbraw/zinc/23/67/91/648236791.db2.gz FJUSQGGUXYDCSW-UKRRQHHQSA-N 1 0 381.318 2.279 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000417297907 648238265 /nfs/dbraw/zinc/23/82/65/648238265.db2.gz JPCMJFDLXZJKDT-LLVKDONJSA-N 1 0 398.301 2.489 20 0 GEADRO [NH3+]CC1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000417297009 648238268 /nfs/dbraw/zinc/23/82/68/648238268.db2.gz HZDBHLGBBDZQCQ-UHFFFAOYSA-N 1 0 384.274 2.101 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417297648 648238294 /nfs/dbraw/zinc/23/82/94/648238294.db2.gz IYZUUOMVJCSZCK-LBPRGKRZSA-N 1 0 384.274 2.114 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417297699 648238344 /nfs/dbraw/zinc/23/83/44/648238344.db2.gz JGRISNWIUSDOJG-MFKMUULPSA-N 1 0 384.274 2.018 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000417363894 648240520 /nfs/dbraw/zinc/24/05/20/648240520.db2.gz DEJOECVLEXRVAU-GFCCVEGCSA-N 1 0 386.290 2.360 20 0 GEADRO COc1cc(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc(Br)c1OC ZINC000417377457 648241986 /nfs/dbraw/zinc/24/19/86/648241986.db2.gz PLRQLSGIXOVRDR-GHMZBOCLSA-N 1 0 386.290 2.358 20 0 GEADRO COc1cc(CNC(=O)NC2(C)CC[NH2+]CC2)cc(Br)c1OC ZINC000417379484 648242374 /nfs/dbraw/zinc/24/23/74/648242374.db2.gz SRXQDYNACMSIBS-UHFFFAOYSA-N 1 0 386.290 2.408 20 0 GEADRO COc1cc(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc(Br)c1OC ZINC000417380797 648242560 /nfs/dbraw/zinc/24/25/60/648242560.db2.gz VGAAPSXQQGKGCU-PWSUYJOCSA-N 1 0 386.290 2.345 20 0 GEADRO COc1cc(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc(Br)c1OC ZINC000417383570 648242840 /nfs/dbraw/zinc/24/28/40/648242840.db2.gz ZFAFXBIUSMOVKG-LLVKDONJSA-N 1 0 386.290 2.265 20 0 GEADRO CC(C)[NH+](CCN(C)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)C(C)C ZINC000417431878 648244805 /nfs/dbraw/zinc/24/48/05/648244805.db2.gz RWFNMWSLGSGCPF-UHFFFAOYSA-N 1 0 388.559 2.197 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417436491 648245555 /nfs/dbraw/zinc/24/55/55/648245555.db2.gz OTBHRGDVENJOAO-CYBMUJFWSA-N 1 0 399.333 2.386 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCc2ccc(I)s2)C1 ZINC000417437611 648245782 /nfs/dbraw/zinc/24/57/82/648245782.db2.gz HRTARXHHOVLDMD-VHSXEESVSA-N 1 0 393.294 2.464 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000417448407 648246924 /nfs/dbraw/zinc/24/69/24/648246924.db2.gz UOFFPJUTRMXHAC-CMPLNLGQSA-N 1 0 386.290 2.406 20 0 GEADRO O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417449483 648247341 /nfs/dbraw/zinc/24/73/41/648247341.db2.gz BPYKQXRNPPFZSB-CXAGYDPISA-N 1 0 393.329 2.126 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417481863 648249008 /nfs/dbraw/zinc/24/90/08/648249008.db2.gz IALPSNLDAHTTDY-OAHLLOKOSA-N 1 0 399.333 2.242 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417483054 648249086 /nfs/dbraw/zinc/24/90/86/648249086.db2.gz RBXWFVLXOOOYAO-GJZGRUSLSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417485083 648249499 /nfs/dbraw/zinc/24/94/99/648249499.db2.gz VZARYPRDBXZKCB-XNRPHZJLSA-N 1 0 381.318 2.325 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000417491034 648250392 /nfs/dbraw/zinc/25/03/92/648250392.db2.gz SMSJZNDCZICFAO-ZDUSSCGKSA-N 1 0 385.306 2.369 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[NH2+]1 ZINC000417604134 648255478 /nfs/dbraw/zinc/25/54/78/648255478.db2.gz UAIFJGBGJJMISA-HZSPNIEDSA-N 1 0 381.318 2.468 20 0 GEADRO CC[C@H](CNC(=O)NCCN1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000417735194 648260238 /nfs/dbraw/zinc/26/02/38/648260238.db2.gz ZKUGMVYVCASPCF-HNNXBMFYSA-N 1 0 397.361 2.222 20 0 GEADRO C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)Oc1ccccc1Br ZINC000417821250 648262535 /nfs/dbraw/zinc/26/25/35/648262535.db2.gz IIXGPTBJEIPNHF-KOLCDFICSA-N 1 0 380.233 2.498 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000417828460 648263142 /nfs/dbraw/zinc/26/31/42/648263142.db2.gz HLVSFCCJFPMTAI-MRVPVSSYSA-N 1 0 378.786 2.199 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417867702 648263562 /nfs/dbraw/zinc/26/35/62/648263562.db2.gz FPNYCWFHECGFTP-MWLCHTKSSA-N 1 0 379.814 2.321 20 0 GEADRO C[NH2+]CCN(C)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417869748 648263604 /nfs/dbraw/zinc/26/36/04/648263604.db2.gz HVWDCBBKAJADQI-LLVKDONJSA-N 1 0 379.814 2.193 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417874181 648263965 /nfs/dbraw/zinc/26/39/65/648263965.db2.gz LFOFWGBXHQBWCV-NSHDSACASA-N 1 0 397.253 2.298 20 0 GEADRO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(F)cc1I ZINC000417907010 648265996 /nfs/dbraw/zinc/26/59/96/648265996.db2.gz GIHWFGZGGPKJPX-GFCCVEGCSA-N 1 0 391.272 2.156 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417908406 648266142 /nfs/dbraw/zinc/26/61/42/648266142.db2.gz IHLGCHDIRNAZKF-OAHLLOKOSA-N 1 0 399.333 2.068 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417937854 648266685 /nfs/dbraw/zinc/26/66/85/648266685.db2.gz HYHSCHKNPPFESC-BXUZGUMPSA-N 1 0 388.281 2.278 20 0 GEADRO COCC[NH2+]CCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000418002272 648268632 /nfs/dbraw/zinc/26/86/32/648268632.db2.gz LZEOEPFESAHUPK-LBPRGKRZSA-N 1 0 375.300 2.107 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)nc12 ZINC000417996070 648268784 /nfs/dbraw/zinc/26/87/84/648268784.db2.gz BDBGVRNQZVKUNM-WCQYABFASA-N 1 0 380.290 2.345 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000418015137 648269920 /nfs/dbraw/zinc/26/99/20/648269920.db2.gz PMRUFWHVHQQSBZ-IUODEOHRSA-N 1 0 397.317 2.289 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)nc12 ZINC000418015871 648269936 /nfs/dbraw/zinc/26/99/36/648269936.db2.gz FFDUXZIBVKSWSJ-NHYWBVRUSA-N 1 0 394.317 2.245 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)nc12 ZINC000418016271 648270546 /nfs/dbraw/zinc/27/05/46/648270546.db2.gz FSGNHQZFKFJUHD-TZMCWYRMSA-N 1 0 394.317 2.374 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)nc12 ZINC000418018912 648270883 /nfs/dbraw/zinc/27/08/83/648270883.db2.gz JPBFXZCHXHKTNP-OLZOCXBDSA-N 1 0 380.290 2.474 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])C2=O)ccc1Br ZINC000418018705 648270976 /nfs/dbraw/zinc/27/09/76/648270976.db2.gz VNHKJMCFVBWNMW-WFASDCNBSA-N 1 0 397.317 2.242 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](CC[NH3+])C(F)F)nc12 ZINC000418018782 648271015 /nfs/dbraw/zinc/27/10/15/648271015.db2.gz JMNHYWUGHOFRQM-LLVKDONJSA-N 1 0 390.232 2.187 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N(C)C3CC[NH2+]CC3)nc12 ZINC000418021256 648271399 /nfs/dbraw/zinc/27/13/99/648271399.db2.gz PEIOJHCHIRMNPE-UHFFFAOYSA-N 1 0 394.317 2.341 20 0 GEADRO O=C(NCc1cc(Br)ccc1Br)N[C@@H]1CC[NH2+]C1 ZINC000418036754 648272839 /nfs/dbraw/zinc/27/28/39/648272839.db2.gz GHFHRNFSXMLZFK-SNVBAGLBSA-N 1 0 377.080 2.373 20 0 GEADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NCC1C[NH2+]C1 ZINC000418039044 648273126 /nfs/dbraw/zinc/27/31/26/648273126.db2.gz ZIRDZKOSQYHKDO-MRXNPFEDSA-N 1 0 384.318 2.305 20 0 GEADRO OC[C@@H](C[NH2+]Cc1ccc(F)cc1I)[C@@H]1CCOC1 ZINC000418039495 648273367 /nfs/dbraw/zinc/27/33/67/648273367.db2.gz HXETWJZGZGDJHN-VXGBXAGGSA-N 1 0 379.213 2.165 20 0 GEADRO Fc1ccc(C[NH2+]CCN2CCCOCC2)c(I)c1 ZINC000418060730 648274125 /nfs/dbraw/zinc/27/41/25/648274125.db2.gz CDHBERAYCINTOI-UHFFFAOYSA-N 1 0 378.229 2.242 20 0 GEADRO C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000418059902 648274260 /nfs/dbraw/zinc/27/42/60/648274260.db2.gz VFQRFBULTAQFJF-LLVKDONJSA-N 1 0 375.336 2.166 20 0 GEADRO COCC[NH2+]CCNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418083665 648276387 /nfs/dbraw/zinc/27/63/87/648276387.db2.gz SUVOSRYGIAZNBG-AWEZNQCLSA-N 1 0 389.327 2.497 20 0 GEADRO CC[NH2+]CCNC(=O)NCc1ccc(Cl)cc1I ZINC000418087566 648277466 /nfs/dbraw/zinc/27/74/66/648277466.db2.gz HOIRKUKJCRVZGV-UHFFFAOYSA-N 1 0 381.645 2.353 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418088699 648277837 /nfs/dbraw/zinc/27/78/37/648277837.db2.gz AGUJJLDSZFROMP-VNHYZAJKSA-N 1 0 381.318 2.407 20 0 GEADRO CC(C)([NH3+])CNC(=O)NCc1ccc(Cl)cc1I ZINC000418088938 648277920 /nfs/dbraw/zinc/27/79/20/648277920.db2.gz LGHBWCMVQUQBCN-UHFFFAOYSA-N 1 0 381.645 2.481 20 0 GEADRO [NH3+]C1(CNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CCC1 ZINC000418088925 648277940 /nfs/dbraw/zinc/27/79/40/648277940.db2.gz LDJNFSLSVICCGY-UHFFFAOYSA-N 1 0 378.274 2.315 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C[NH2+]1 ZINC000418089204 648277956 /nfs/dbraw/zinc/27/79/56/648277956.db2.gz BGRIWHUPGFQAIL-IPYPFGDCSA-N 1 0 381.318 2.420 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]1 ZINC000418093428 648278679 /nfs/dbraw/zinc/27/86/79/648278679.db2.gz SKWKTXUWNXAWDA-GFCCVEGCSA-N 1 0 378.274 2.138 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N1CCC2(C1)CC[NH2+]CC2 ZINC000418100886 648279495 /nfs/dbraw/zinc/27/94/95/648279495.db2.gz FHIBVGPLQCQFMO-UHFFFAOYSA-N 1 0 384.322 2.211 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000418107002 648280366 /nfs/dbraw/zinc/28/03/66/648280366.db2.gz CYLXBKKHVZTXNQ-STQMWFEESA-N 1 0 385.302 2.107 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418106412 648280542 /nfs/dbraw/zinc/28/05/42/648280542.db2.gz XFDAVYRKMPLXPJ-YSVLISHTSA-N 1 0 393.329 2.421 20 0 GEADRO COc1cc(Br)c(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1OC ZINC000418107573 648281094 /nfs/dbraw/zinc/28/10/94/648281094.db2.gz FBQPBYQGVFKODI-CHWSQXEVSA-N 1 0 387.318 2.353 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)NC(=O)NCC1C[NH2+]C1 ZINC000418115362 648282073 /nfs/dbraw/zinc/28/20/73/648282073.db2.gz OURQUSGQGXRUHU-LLVKDONJSA-N 1 0 387.265 2.131 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@H](C[NH3+])C1 ZINC000418122434 648282820 /nfs/dbraw/zinc/28/28/20/648282820.db2.gz JYJHLJQCMBUHSI-CQJJVWNLSA-N 1 0 382.302 2.453 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000418122444 648282842 /nfs/dbraw/zinc/28/28/42/648282842.db2.gz JYJHLJQCMBUHSI-UNIGVISCSA-N 1 0 382.302 2.453 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1I ZINC000418144494 648285133 /nfs/dbraw/zinc/28/51/33/648285133.db2.gz UFKSOLUWWBZNEH-ZFWWWQNUSA-N 1 0 399.276 2.493 20 0 GEADRO Cc1cc(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)ccc1I ZINC000418144962 648285138 /nfs/dbraw/zinc/28/51/38/648285138.db2.gz WBKYJSGYMUZAJI-RYUDHWBXSA-N 1 0 387.265 2.491 20 0 GEADRO COCC[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000418173886 648286762 /nfs/dbraw/zinc/28/67/62/648286762.db2.gz TUOLQVDBKSRYCP-XJKSGUPXSA-N 1 0 389.327 2.274 20 0 GEADRO COCC[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000418174286 648286836 /nfs/dbraw/zinc/28/68/36/648286836.db2.gz UEWHYYZJFRNLFH-SWLSCSKDSA-N 1 0 376.284 2.359 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)NCc1c(Br)cncc1Br ZINC000418237714 648289308 /nfs/dbraw/zinc/28/93/08/648289308.db2.gz OJFZWSNMJXVJOX-SSDOTTSWSA-N 1 0 380.084 2.001 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N(CCC[NH3+])Cc2ccccc2)n1 ZINC000418242351 648289825 /nfs/dbraw/zinc/28/98/25/648289825.db2.gz LYSXFVAQENWSPM-UHFFFAOYSA-N 1 0 380.290 2.243 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCc1c(Br)cncc1Br ZINC000418246919 648290115 /nfs/dbraw/zinc/29/01/15/648290115.db2.gz ZQWBRXVXQNSYGX-MRVPVSSYSA-N 1 0 394.111 2.404 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CCc2c1ccc(F)c2Br ZINC000418261755 648290208 /nfs/dbraw/zinc/29/02/08/648290208.db2.gz YYSCSRXORNVDIY-HNNXBMFYSA-N 1 0 399.308 2.170 20 0 GEADRO C[C@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@H]1C[NH3+] ZINC000418255777 648290341 /nfs/dbraw/zinc/29/03/41/648290341.db2.gz BHMZVKSYNDEDNN-WDEREUQCSA-N 1 0 380.290 2.452 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NCCC[NH2+]C2CC2)cc1Br ZINC000418290879 648291314 /nfs/dbraw/zinc/29/13/14/648291314.db2.gz UGFFUHIQLBNEOC-HNNXBMFYSA-N 1 0 398.345 2.350 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)NC[C@@H](CO)Cc1ccccc1Br ZINC000418296322 648291705 /nfs/dbraw/zinc/29/17/05/648291705.db2.gz GARADAWJSIQYMX-ZDUSSCGKSA-N 1 0 384.318 2.041 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000418307695 648292037 /nfs/dbraw/zinc/29/20/37/648292037.db2.gz ARFNWZLNQLKONY-NEPJUHHUSA-N 1 0 376.284 2.032 20 0 GEADRO Cc1cc(C(C)(C)NC(=O)NCCN2CC[NH2+]CC2)ccc1Br ZINC000418306055 648292135 /nfs/dbraw/zinc/29/21/35/648292135.db2.gz QCQWHRHCXJGFLD-UHFFFAOYSA-N 1 0 383.334 2.197 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418305467 648292193 /nfs/dbraw/zinc/29/21/93/648292193.db2.gz YSMLQIXMNFCTHY-UHFFFAOYSA-N 1 0 381.318 2.423 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000418307697 648292536 /nfs/dbraw/zinc/29/25/36/648292536.db2.gz ARFNWZLNQLKONY-RYUDHWBXSA-N 1 0 376.284 2.032 20 0 GEADRO CC[NH2+]CCNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418324956 648292875 /nfs/dbraw/zinc/29/28/75/648292875.db2.gz KXMBTDXFUKNGOW-UHFFFAOYSA-N 1 0 397.317 2.419 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418327843 648292937 /nfs/dbraw/zinc/29/29/37/648292937.db2.gz ZWKAMVYZLGECDA-CQSZACIVSA-N 1 0 381.318 2.280 20 0 GEADRO CC[NH2+]CCNC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000418326991 648292975 /nfs/dbraw/zinc/29/29/75/648292975.db2.gz PDNCWDPCVWYWPN-UHFFFAOYSA-N 1 0 375.300 2.251 20 0 GEADRO CC[NH2+]CCNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418318344 648292981 /nfs/dbraw/zinc/29/29/81/648292981.db2.gz PASQJMDJYVJOKB-AWEZNQCLSA-N 1 0 383.334 2.447 20 0 GEADRO [NH3+]C1(CNC(=O)NCC(=O)Nc2cccc(Br)c2)CCCCC1 ZINC000418319992 648292986 /nfs/dbraw/zinc/29/29/86/648292986.db2.gz POUSQZOIYCIGAY-UHFFFAOYSA-N 1 0 383.290 2.348 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N(CCO)Cc1ccc(Br)s1 ZINC000418347020 648294008 /nfs/dbraw/zinc/29/40/08/648294008.db2.gz NFJNDPVOFDSZNM-LBPRGKRZSA-N 1 0 390.347 2.404 20 0 GEADRO C[C@@H](NC(=O)N(CCO)Cc1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000418355399 648294383 /nfs/dbraw/zinc/29/43/83/648294383.db2.gz XAQVHJSBMFIZNU-NEPJUHHUSA-N 1 0 390.347 2.403 20 0 GEADRO C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418354978 648294495 /nfs/dbraw/zinc/29/44/95/648294495.db2.gz WVIUADKVOODBRD-CWRNSKLLSA-N 1 0 398.345 2.287 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418367785 648294851 /nfs/dbraw/zinc/29/48/51/648294851.db2.gz LPIOSUXSYGLAPJ-AWEZNQCLSA-N 1 0 399.308 2.167 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418361765 648294903 /nfs/dbraw/zinc/29/49/03/648294903.db2.gz HCZWPCCKCRJNKV-GFCCVEGCSA-N 1 0 376.320 2.421 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C ZINC000418384081 648295815 /nfs/dbraw/zinc/29/58/15/648295815.db2.gz JODGDLYTQHMNGK-OCCSQVGLSA-N 1 0 386.334 2.063 20 0 GEADRO CCC[NH2+]CCNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418486556 648297733 /nfs/dbraw/zinc/29/77/33/648297733.db2.gz GJMURQXQSUWNRG-UHFFFAOYSA-N 1 0 382.262 2.298 20 0 GEADRO O=C(NCC1C[NH2+]C1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418483058 648297936 /nfs/dbraw/zinc/29/79/36/648297936.db2.gz FGZIGQWHJFIMLL-UHFFFAOYSA-N 1 0 376.810 2.410 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418492568 648298256 /nfs/dbraw/zinc/29/82/56/648298256.db2.gz PRIIWERFEFTHOF-GFCCVEGCSA-N 1 0 397.317 2.404 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418491443 648298265 /nfs/dbraw/zinc/29/82/65/648298265.db2.gz OGLNACDNPGCBDQ-KBPBESRZSA-N 1 0 383.334 2.432 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000418497247 648298380 /nfs/dbraw/zinc/29/83/80/648298380.db2.gz JUPQRIARLOXOIC-CYBMUJFWSA-N 1 0 376.284 2.392 20 0 GEADRO C[C@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418508718 648298961 /nfs/dbraw/zinc/29/89/61/648298961.db2.gz FCYZYWBSCDLHFD-LLVKDONJSA-N 1 0 383.290 2.156 20 0 GEADRO CC1(CNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000418512709 648299104 /nfs/dbraw/zinc/29/91/04/648299104.db2.gz FDHKELUXYXIGLF-LBPRGKRZSA-N 1 0 390.311 2.422 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000418515897 648299464 /nfs/dbraw/zinc/29/94/64/648299464.db2.gz ZAXUZGDAKHDWQJ-INIZCTEOSA-N 1 0 399.333 2.271 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000418563650 648301770 /nfs/dbraw/zinc/30/17/70/648301770.db2.gz IEYVDCYMBJIQRY-NSHDSACASA-N 1 0 388.281 2.326 20 0 GEADRO C[C@@]1(CNC(=O)NCC(=O)Nc2cccc(Br)c2)CCC[NH2+]C1 ZINC000418561875 648301907 /nfs/dbraw/zinc/30/19/07/648301907.db2.gz ZPLJNVSKDFLPQW-MRXNPFEDSA-N 1 0 383.290 2.077 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000418575608 648302333 /nfs/dbraw/zinc/30/23/33/648302333.db2.gz WRZBYKTWZVLTOR-WCQYABFASA-N 1 0 387.265 2.212 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418573240 648302445 /nfs/dbraw/zinc/30/24/45/648302445.db2.gz ZXHWMLQZCZNVSF-LBPRGKRZSA-N 1 0 387.297 2.153 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)COc1ncccc1Br ZINC000418587617 648303025 /nfs/dbraw/zinc/30/30/25/648303025.db2.gz GVDSIUXWFYVFPI-YPMHNXCESA-N 1 0 385.306 2.299 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418585762 648303269 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GEADRO O=C(NCCC1=CC[NH2+]CC1)N(CCO)Cc1cccc(Br)c1 ZINC000418637281 648306140 /nfs/dbraw/zinc/30/61/40/648306140.db2.gz JUKISGWEWLWGQI-UHFFFAOYSA-N 1 0 382.302 2.263 20 0 GEADRO COC[C@@]1(CNC(=O)N(C)Cc2cc(Br)ccc2F)CCC[NH2+]1 ZINC000418660653 648306565 /nfs/dbraw/zinc/30/65/65/648306565.db2.gz YETVZDDLDNOTMC-INIZCTEOSA-N 1 0 388.281 2.498 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418697650 648307666 /nfs/dbraw/zinc/30/76/66/648307666.db2.gz MBBOISQZADOPMO-MNOVXSKESA-N 1 0 375.336 2.074 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418704628 648307722 /nfs/dbraw/zinc/30/77/22/648307722.db2.gz NFVDNIOLJUYIJA-LBPRGKRZSA-N 1 0 389.363 2.465 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418716935 648307974 /nfs/dbraw/zinc/30/79/74/648307974.db2.gz ZCJPLAGKVNKKRD-YPMHNXCESA-N 1 0 390.297 2.166 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418727656 648308411 /nfs/dbraw/zinc/30/84/11/648308411.db2.gz MSZNYHZEBPWUTE-LLVKDONJSA-N 1 0 375.336 2.075 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418756972 648309685 /nfs/dbraw/zinc/30/96/85/648309685.db2.gz FJRBGJDPLLJEKT-HOCLYGCPSA-N 1 0 377.897 2.427 20 0 GEADRO O=C(CNC(=O)NCCC[C@@H]1CCC[NH2+]1)Nc1cccc(Br)c1 ZINC000418759642 648310171 /nfs/dbraw/zinc/31/01/71/648310171.db2.gz DQDLLOCMUYNRJY-ZDUSSCGKSA-N 1 0 383.290 2.219 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cccc(Cl)c3Cl)C[C@@H]21 ZINC000418766672 648310388 /nfs/dbraw/zinc/31/03/88/648310388.db2.gz RCLRKNLAPZYXBV-KCQAQPDRSA-N 1 0 384.307 2.238 20 0 GEADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000418767118 648310945 /nfs/dbraw/zinc/31/09/45/648310945.db2.gz PZHKEHBLGDJLOT-OLZOCXBDSA-N 1 0 392.244 2.169 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000418779313 648312067 /nfs/dbraw/zinc/31/20/67/648312067.db2.gz BAGXYSGJWYEARB-IPYPFGDCSA-N 1 0 384.318 2.027 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418777186 648312128 /nfs/dbraw/zinc/31/21/28/648312128.db2.gz YEUGMWGPKARORT-LSDHHAIUSA-N 1 0 384.318 2.400 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418777184 648312229 /nfs/dbraw/zinc/31/22/29/648312229.db2.gz YEUGMWGPKARORT-GJZGRUSLSA-N 1 0 384.318 2.400 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418813810 648313437 /nfs/dbraw/zinc/31/34/37/648313437.db2.gz FAHPCIHEIIAMOG-WBHUJUFNSA-N 1 0 382.291 2.178 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000418819619 648313908 /nfs/dbraw/zinc/31/39/08/648313908.db2.gz RAEKUTNRONVRKA-YPHNTLSLSA-N 1 0 384.307 2.470 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000418817725 648314050 /nfs/dbraw/zinc/31/40/50/648314050.db2.gz NHIAHNMDDUUZAS-FJXFWJLJSA-N 1 0 384.307 2.409 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418820600 648314321 /nfs/dbraw/zinc/31/43/21/648314321.db2.gz SPJIHVIFZFEBEL-KFYUAXIPSA-N 1 0 382.291 2.033 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000418823205 648314344 /nfs/dbraw/zinc/31/43/44/648314344.db2.gz BLOOYXMEFGJSGO-KNXALSJPSA-N 1 0 394.313 2.007 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCC[NH2+]C1 ZINC000418822680 648314363 /nfs/dbraw/zinc/31/43/63/648314363.db2.gz XCTXFFSBZFNALT-JCKWVBRZSA-N 1 0 384.307 2.471 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418827025 648314738 /nfs/dbraw/zinc/31/47/38/648314738.db2.gz LGJUSAFRJAMQRU-JMGFVUJMSA-N 1 0 394.313 2.150 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418829834 648315030 /nfs/dbraw/zinc/31/50/30/648315030.db2.gz NTTIGHDQEMGOSH-DUVNUKRYSA-N 1 0 394.313 2.009 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccc(Cl)cc1Cl ZINC000418839959 648316219 /nfs/dbraw/zinc/31/62/19/648316219.db2.gz XGLABPTYHRVOMT-BHDSKKPTSA-N 1 0 388.295 2.400 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418841511 648316267 /nfs/dbraw/zinc/31/62/67/648316267.db2.gz ZCVITCWZPNBRRX-ARFHVFGLSA-N 1 0 396.329 2.253 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418846505 648316988 /nfs/dbraw/zinc/31/69/88/648316988.db2.gz RVZLGDHUQRMWFZ-UMVBOHGHSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccc(Br)cc1 ZINC000418854578 648318258 /nfs/dbraw/zinc/31/82/58/648318258.db2.gz BTQZPPYGHPCOMH-GFCCVEGCSA-N 1 0 382.302 2.404 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)Nc1nc(C(F)(F)F)c(Br)s1 ZINC000418865717 648319430 /nfs/dbraw/zinc/31/94/30/648319430.db2.gz MOZDFNHOKRNWDB-MRVPVSSYSA-N 1 0 387.269 2.972 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000418869144 648319935 /nfs/dbraw/zinc/31/99/35/648319935.db2.gz RMKVBYSTOCVAPY-OSAQELSMSA-N 1 0 382.302 2.260 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000418874516 648320338 /nfs/dbraw/zinc/32/03/38/648320338.db2.gz ZWZKOZRSBLSJJU-BZPMIXESSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418937761 648322517 /nfs/dbraw/zinc/32/25/17/648322517.db2.gz GCJMDOIISXXBER-MAZHCROVSA-N 1 0 394.313 2.186 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CCC[NH2+]C1 ZINC000418947587 648323910 /nfs/dbraw/zinc/32/39/10/648323910.db2.gz SNSIMFJLDWPWEU-CRAIPNDOSA-N 1 0 394.313 2.059 20 0 GEADRO O=C(NCCc1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418949583 648324422 /nfs/dbraw/zinc/32/44/22/648324422.db2.gz VAVBYQOEMKIMDN-RWMBFGLXSA-N 1 0 384.307 2.156 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000418948377 648324486 /nfs/dbraw/zinc/32/44/86/648324486.db2.gz QOFQVMLRYQFUCQ-CVEARBPZSA-N 1 0 394.313 2.260 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000418948379 648324611 /nfs/dbraw/zinc/32/46/11/648324611.db2.gz QOFQVMLRYQFUCQ-HOTGVXAUSA-N 1 0 394.313 2.260 20 0 GEADRO CO[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000418954577 648325238 /nfs/dbraw/zinc/32/52/38/648325238.db2.gz OIRAGWRFMUSCCM-RTXFEEFZSA-N 1 0 388.295 2.135 20 0 GEADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418967010 648326101 /nfs/dbraw/zinc/32/61/01/648326101.db2.gz OSFHBHIWZULQTN-GFCCVEGCSA-N 1 0 383.279 2.002 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419017575 648327571 /nfs/dbraw/zinc/32/75/71/648327571.db2.gz GJCBSUADXOTNHY-KCXAZCMYSA-N 1 0 396.329 2.273 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419019532 648327639 /nfs/dbraw/zinc/32/76/39/648327639.db2.gz JDEZOUJPAJGZHJ-ZDUSSCGKSA-N 1 0 396.329 2.145 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419016542 648327696 /nfs/dbraw/zinc/32/76/96/648327696.db2.gz DRTCJACUSICFDF-XJKCOSOUSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419017646 648327700 /nfs/dbraw/zinc/32/77/00/648327700.db2.gz GMARQUIJDYXKMT-ZDUSSCGKSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419021074 648327941 /nfs/dbraw/zinc/32/79/41/648327941.db2.gz LUQNGFAORKVXFG-UWTIGNOOSA-N 1 0 396.329 2.273 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419021437 648328017 /nfs/dbraw/zinc/32/80/17/648328017.db2.gz MGIKCIWGZCTIFI-IPYPFGDCSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419040977 648329131 /nfs/dbraw/zinc/32/91/31/648329131.db2.gz JNYVJCYDQQMDQI-BBBLOLIVSA-N 1 0 378.420 2.115 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000419045951 648329727 /nfs/dbraw/zinc/32/97/27/648329727.db2.gz UULSXBGHNZSKGZ-UWVGGRQHSA-N 1 0 380.436 2.171 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419045553 648329807 /nfs/dbraw/zinc/32/98/07/648329807.db2.gz SRENYYROIFXNHQ-UHFFFAOYSA-N 1 0 377.819 2.001 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H](C)Cc1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000419051414 648330330 /nfs/dbraw/zinc/33/03/30/648330330.db2.gz GGDYRIDANHNJNW-HIFRSBDPSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419051257 648330342 /nfs/dbraw/zinc/33/03/42/648330342.db2.gz FPBGNOPIMILWHY-DZGCQCFKSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419051376 648330352 /nfs/dbraw/zinc/33/03/52/648330352.db2.gz GDPJFRGJALTUDO-IOASZLSFSA-N 1 0 396.329 2.225 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419053759 648330783 /nfs/dbraw/zinc/33/07/83/648330783.db2.gz KQQISBKHOUKWIW-KCQAQPDRSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419054946 648331042 /nfs/dbraw/zinc/33/10/42/648331042.db2.gz NEDVQPFTTNWOOW-LSDHHAIUSA-N 1 0 396.329 2.226 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419057120 648331532 /nfs/dbraw/zinc/33/15/32/648331532.db2.gz TURVDCBZIKXGHP-CZUORRHYSA-N 1 0 398.345 2.328 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419058588 648331963 /nfs/dbraw/zinc/33/19/63/648331963.db2.gz WPMDDBDYHVDISF-YUELXQCFSA-N 1 0 396.329 2.130 20 0 GEADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419091814 648333379 /nfs/dbraw/zinc/33/33/79/648333379.db2.gz GXWCMVSITAOLIR-ZETOZRRWSA-N 1 0 382.291 2.450 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C1 ZINC000419100728 648334119 /nfs/dbraw/zinc/33/41/19/648334119.db2.gz JGUPVZGKQADWPM-NSHDSACASA-N 1 0 380.901 2.153 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419101908 648334145 /nfs/dbraw/zinc/33/41/45/648334145.db2.gz KLPCBHQOCKVLNY-LBPRGKRZSA-N 1 0 380.901 2.166 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCSCc2ccc(Cl)cc2Cl)C1 ZINC000419102142 648334238 /nfs/dbraw/zinc/33/42/38/648334238.db2.gz YFLRGENVJMLIKG-ZDUSSCGKSA-N 1 0 390.336 2.163 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000419106075 648334433 /nfs/dbraw/zinc/33/44/33/648334433.db2.gz JKAMEHQWPWKCTP-LDYMZIIASA-N 1 0 396.207 2.022 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C[C@@H]1C[NH3+] ZINC000419106796 648334568 /nfs/dbraw/zinc/33/45/68/648334568.db2.gz OXSHPDJLZNSOGU-MNOVXSKESA-N 1 0 380.901 2.009 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCc4c3ccc(Cl)c4Cl)C[C@@H]12 ZINC000419107462 648334576 /nfs/dbraw/zinc/33/45/76/648334576.db2.gz WVHJTPDFPAHPNO-WZZPKWGDSA-N 1 0 382.291 2.293 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419125967 648335389 /nfs/dbraw/zinc/33/53/89/648335389.db2.gz LTMVTXNYRQRENL-MLGOLLRUSA-N 1 0 377.897 2.427 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 ZINC000419129998 648335941 /nfs/dbraw/zinc/33/59/41/648335941.db2.gz DWHWEAZCAGJLCO-UHFFFAOYSA-N 1 0 388.295 2.076 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000419134554 648336660 /nfs/dbraw/zinc/33/66/60/648336660.db2.gz KIACUECMRBNICL-DGCLKSJQSA-N 1 0 388.295 2.135 20 0 GEADRO CN(C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000419143077 648337087 /nfs/dbraw/zinc/33/70/87/648337087.db2.gz YSFAQBLVCOXQHR-UHFFFAOYSA-N 1 0 388.295 2.089 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1)C1CC1 ZINC000419155564 648337820 /nfs/dbraw/zinc/33/78/20/648337820.db2.gz RTOIIDDHUKWSTF-OAHLLOKOSA-N 1 0 384.307 2.385 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000419159475 648338409 /nfs/dbraw/zinc/33/84/09/648338409.db2.gz ZGIAZDOZXBKSSW-HUBLWGQQSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1Br ZINC000419163090 648338875 /nfs/dbraw/zinc/33/88/75/648338875.db2.gz IYZXPOOOOWCZGI-OCCSQVGLSA-N 1 0 382.302 2.102 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1Br ZINC000419171404 648339348 /nfs/dbraw/zinc/33/93/48/648339348.db2.gz XRWFBYQZVULBKI-JSGCOSHPSA-N 1 0 382.302 2.007 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419172300 648339387 /nfs/dbraw/zinc/33/93/87/648339387.db2.gz YWWGTFJHEPHKES-UHFFFAOYSA-N 1 0 390.311 2.070 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1Br ZINC000419171402 648339444 /nfs/dbraw/zinc/33/94/44/648339444.db2.gz XRWFBYQZVULBKI-GXTWGEPZSA-N 1 0 382.302 2.007 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1Br ZINC000419179421 648339602 /nfs/dbraw/zinc/33/96/02/648339602.db2.gz DCDPFQGMBREEOY-CYBMUJFWSA-N 1 0 396.329 2.101 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Br ZINC000419184422 648340195 /nfs/dbraw/zinc/34/01/95/648340195.db2.gz JONCQEXDROSPPG-STQMWFEESA-N 1 0 396.329 2.229 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419183981 648340211 /nfs/dbraw/zinc/34/02/11/648340211.db2.gz CJNGZIOYEVHBPY-ZDUSSCGKSA-N 1 0 396.329 2.088 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccccc1Br ZINC000419186952 648340303 /nfs/dbraw/zinc/34/03/03/648340303.db2.gz MRASABIBJZFEFQ-UHFFFAOYSA-N 1 0 396.329 2.040 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)[C@@H](C)C[NH2+]1 ZINC000419195891 648341204 /nfs/dbraw/zinc/34/12/04/648341204.db2.gz YPNNLSQIHWOQRX-STQMWFEESA-N 1 0 396.329 2.052 20 0 GEADRO COc1nc(N2CC[NH+](C[C@@H](CC(C)C)OC)CC2)ncc1Br ZINC000419227720 648342107 /nfs/dbraw/zinc/34/21/07/648342107.db2.gz FZBLQLNTFBWWGN-CYBMUJFWSA-N 1 0 387.322 2.431 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419275611 648343639 /nfs/dbraw/zinc/34/36/39/648343639.db2.gz CVRHGIFNJONGQW-BZPMIXESSA-N 1 0 386.323 2.484 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419294354 648345147 /nfs/dbraw/zinc/34/51/47/648345147.db2.gz BNYQCCQWUQMSAH-ZIAGYGMSSA-N 1 0 382.302 2.068 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419299671 648345480 /nfs/dbraw/zinc/34/54/80/648345480.db2.gz KHWTYKVCAOACPO-KGLIPLIRSA-N 1 0 396.329 2.268 20 0 GEADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2sccc2Br)cc1 ZINC000419300529 648346017 /nfs/dbraw/zinc/34/60/17/648346017.db2.gz MAXSUOLBTAKSSF-JTQLQIEISA-N 1 0 396.310 2.463 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419304621 648346447 /nfs/dbraw/zinc/34/64/47/648346447.db2.gz UWUUQTSJBXNJRC-XJKSGUPXSA-N 1 0 396.329 2.316 20 0 GEADRO COc1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(Br)c1OC ZINC000419324043 648347101 /nfs/dbraw/zinc/34/71/01/648347101.db2.gz JLZDICNVJOAZGU-QWHCGFSZSA-N 1 0 387.318 2.353 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000419339148 648348333 /nfs/dbraw/zinc/34/83/33/648348333.db2.gz ZVVNDDVCJPAELB-VNHYZAJKSA-N 1 0 377.312 2.120 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc2c(cc1Br)OCCCO2 ZINC000419347129 648349314 /nfs/dbraw/zinc/34/93/14/648349314.db2.gz WINYDINSICHFJX-KBPBESRZSA-N 1 0 399.329 2.497 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCOc1cc(F)cc(Br)c1 ZINC000419346749 648349469 /nfs/dbraw/zinc/34/94/69/648349469.db2.gz VVJBVGGIBZSZOZ-STQMWFEESA-N 1 0 375.282 2.354 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCc1ccccc1Br ZINC000419431055 648352291 /nfs/dbraw/zinc/35/22/91/648352291.db2.gz CVSSWVXECQGGFJ-UONOGXRCSA-N 1 0 384.318 2.088 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cc(Br)ccc1F ZINC000419434214 648352851 /nfs/dbraw/zinc/35/28/51/648352851.db2.gz KLFHGLXUQSXEMN-RYUDHWBXSA-N 1 0 388.281 2.185 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419448357 648353181 /nfs/dbraw/zinc/35/31/81/648353181.db2.gz BWNYVGMHAMHJHY-KGLIPLIRSA-N 1 0 384.318 2.354 20 0 GEADRO Cc1cccc(CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1Br ZINC000419489812 648354427 /nfs/dbraw/zinc/35/44/27/648354427.db2.gz GOTUGJFFMMPHBI-KBPBESRZSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)CC[NH2+]1 ZINC000419501392 648354613 /nfs/dbraw/zinc/35/46/13/648354613.db2.gz BGFQICBWVKSRSU-IUODEOHRSA-N 1 0 396.329 2.100 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccsc1Br ZINC000419506091 648355224 /nfs/dbraw/zinc/35/52/24/648355224.db2.gz MNWNCRMWOQCTNH-WDEREUQCSA-N 1 0 376.320 2.107 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419523674 648356495 /nfs/dbraw/zinc/35/64/95/648356495.db2.gz OWFRQLCTJJFTNL-HNNXBMFYSA-N 1 0 398.345 2.333 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419521581 648356739 /nfs/dbraw/zinc/35/67/39/648356739.db2.gz KLGHFMOAIQRAGP-OAHLLOKOSA-N 1 0 396.329 2.053 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)[C@H]1C[NH3+] ZINC000419585500 648357005 /nfs/dbraw/zinc/35/70/05/648357005.db2.gz KEOKHCWYFOELHE-RLCCDNCMSA-N 1 0 394.313 2.138 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000419627734 648358425 /nfs/dbraw/zinc/35/84/25/648358425.db2.gz JKCBZJYUDVRTCA-CYBMUJFWSA-N 1 0 377.794 2.262 20 0 GEADRO O=C(NCc1cccc(Br)c1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419645053 648359465 /nfs/dbraw/zinc/35/94/65/648359465.db2.gz OUOCIJJEJNRYHN-UHFFFAOYSA-N 1 0 394.313 2.058 20 0 GEADRO C[C@]1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO[C@H]1C1CC1 ZINC000419683390 648364421 /nfs/dbraw/zinc/36/44/21/648364421.db2.gz KPRDJWQOUOJRKJ-GJZGRUSLSA-N 1 0 389.315 2.144 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1Cl ZINC000419707487 648368323 /nfs/dbraw/zinc/36/83/23/648368323.db2.gz LYDOXADKXXGRGP-YJBOKZPZSA-N 1 0 380.897 2.243 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(Br)s1 ZINC000419705915 648368332 /nfs/dbraw/zinc/36/83/32/648368332.db2.gz JJMOVJKHQHKKIH-GHMZBOCLSA-N 1 0 388.331 2.275 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccc(Br)s1 ZINC000419708197 648368730 /nfs/dbraw/zinc/36/87/30/648368730.db2.gz LSHZXPBTKXCWHI-AXFHLTTASA-N 1 0 388.331 2.274 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)s2)C1 ZINC000419710821 648369044 /nfs/dbraw/zinc/36/90/44/648369044.db2.gz OIQBOXUZEQLMPE-QWRGUYRKSA-N 1 0 388.331 2.146 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)s2)C1 ZINC000419710825 648369140 /nfs/dbraw/zinc/36/91/40/648369140.db2.gz OIQBOXUZEQLMPE-WDEREUQCSA-N 1 0 388.331 2.146 20 0 GEADRO CCOCC(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419712434 648369598 /nfs/dbraw/zinc/36/95/98/648369598.db2.gz UAOBLDMZWXZUBT-UHFFFAOYSA-N 1 0 379.320 2.249 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419714523 648370016 /nfs/dbraw/zinc/37/00/16/648370016.db2.gz SYCGGVMIYZFLGA-VWYCJHECSA-N 1 0 388.331 2.416 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)C1CCCC1 ZINC000419736297 648372968 /nfs/dbraw/zinc/37/29/68/648372968.db2.gz XDBQQDBRYZDXDJ-CHWSQXEVSA-N 1 0 386.279 2.177 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419745251 648374393 /nfs/dbraw/zinc/37/43/93/648374393.db2.gz KEQAMPQBNFZHRH-GFCCVEGCSA-N 1 0 392.363 2.307 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419754635 648375340 /nfs/dbraw/zinc/37/53/40/648375340.db2.gz AOLQNVSXTCBIHN-ZDUSSCGKSA-N 1 0 386.265 2.009 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000419759958 648375774 /nfs/dbraw/zinc/37/57/74/648375774.db2.gz MZQBXJIUWIHCCP-JTQLQIEISA-N 1 0 396.221 2.161 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000419785511 648378671 /nfs/dbraw/zinc/37/86/71/648378671.db2.gz WNLNHWZVVCJGFX-LSDHHAIUSA-N 1 0 398.276 2.009 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419797357 648379413 /nfs/dbraw/zinc/37/94/13/648379413.db2.gz RWYKQGPFSLZAII-GZBFAFLISA-N 1 0 384.307 2.156 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419797360 648379645 /nfs/dbraw/zinc/37/96/45/648379645.db2.gz RWYKQGPFSLZAII-VNHYZAJKSA-N 1 0 384.307 2.156 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419801881 648380064 /nfs/dbraw/zinc/38/00/64/648380064.db2.gz AXWOXKMNCCDVCO-HIFRSBDPSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419805932 648380565 /nfs/dbraw/zinc/38/05/65/648380565.db2.gz FCUZITWVQFWGIN-VNHYZAJKSA-N 1 0 396.329 2.082 20 0 GEADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000419815913 648381402 /nfs/dbraw/zinc/38/14/02/648381402.db2.gz JZAKYUURHVGVRO-KGLIPLIRSA-N 1 0 376.291 2.468 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419831885 648383693 /nfs/dbraw/zinc/38/36/93/648383693.db2.gz MSQUAMOXPWXZJS-UHFFFAOYSA-N 1 0 382.302 2.010 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000419836738 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20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419902627 648387417 /nfs/dbraw/zinc/38/74/17/648387417.db2.gz VFVAOVUTZNODHD-HNNXBMFYSA-N 1 0 382.302 2.054 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000419906925 648387778 /nfs/dbraw/zinc/38/77/78/648387778.db2.gz DNDYQQLURWKTAH-LLVKDONJSA-N 1 0 388.331 2.290 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419924118 648389117 /nfs/dbraw/zinc/38/91/17/648389117.db2.gz BXOJKHIZDLRIDV-AWEZNQCLSA-N 1 0 396.329 2.222 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000419945643 648390721 /nfs/dbraw/zinc/39/07/21/648390721.db2.gz KJQQPLJNRCCSBM-MLGOLLRUSA-N 1 0 377.535 2.255 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419954344 648391153 /nfs/dbraw/zinc/39/11/53/648391153.db2.gz QFNDVWJVRPKOGY-DOMZBBRYSA-N 1 0 382.302 2.084 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000419962016 648391455 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GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419997275 648394102 /nfs/dbraw/zinc/39/41/02/648394102.db2.gz OFXKIVOEOZWRPU-QMTHXVAHSA-N 1 0 386.265 2.105 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000419997277 648394222 /nfs/dbraw/zinc/39/42/22/648394222.db2.gz OFXKIVOEOZWRPU-YGRLFVJLSA-N 1 0 386.265 2.105 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)N[C@@H](C)CC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420010717 648395429 /nfs/dbraw/zinc/39/54/29/648395429.db2.gz XSXHAVWCHQGHBA-NWDGAFQWSA-N 1 0 390.311 2.463 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000420010408 648395570 /nfs/dbraw/zinc/39/55/70/648395570.db2.gz XGFSEPGEJFMLAI-LBPRGKRZSA-N 1 0 382.302 2.009 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000420022037 648396468 /nfs/dbraw/zinc/39/64/68/648396468.db2.gz VJCPUNNZQXARQC-KRWDZBQOSA-N 1 0 382.302 2.292 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Br)cc2cccnc21 ZINC000420022253 648396497 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COc1cc(Cl)c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1OC ZINC000420473506 648420364 /nfs/dbraw/zinc/42/03/64/648420364.db2.gz HRMBYDBDGCVUKO-GFCCVEGCSA-N 1 0 382.869 2.436 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000420478432 648421525 /nfs/dbraw/zinc/42/15/25/648421525.db2.gz LCIKUKVFCCLOJG-NSHDSACASA-N 1 0 390.296 2.069 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000420740774 648446506 /nfs/dbraw/zinc/44/65/06/648446506.db2.gz RXWSTDQMWLNBIO-CYBMUJFWSA-N 1 0 389.315 2.099 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000420744679 648448373 /nfs/dbraw/zinc/44/83/73/648448373.db2.gz YGRCRXRFYKSDAL-CYBMUJFWSA-N 1 0 391.331 2.314 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000420761404 648452989 /nfs/dbraw/zinc/45/29/89/648452989.db2.gz HDAIBLNPBJPOFX-CYBMUJFWSA-N 1 0 390.347 2.230 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420767063 648453833 /nfs/dbraw/zinc/45/38/33/648453833.db2.gz MPJZBUBSARSUPH-LBPRGKRZSA-N 1 0 382.507 2.403 20 0 GEADRO CNC(=O)[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000420969562 648459773 /nfs/dbraw/zinc/45/97/73/648459773.db2.gz FAZMWCVJMDTABD-LBPRGKRZSA-N 1 0 388.249 2.128 20 0 GEADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420975961 648460668 /nfs/dbraw/zinc/46/06/68/648460668.db2.gz QHAQTMRZFVAIHB-CQSZACIVSA-N 1 0 375.332 2.395 20 0 GEADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420980608 648461325 /nfs/dbraw/zinc/46/13/25/648461325.db2.gz WYPKXYVLOYGUQO-HNNXBMFYSA-N 1 0 397.313 2.478 20 0 GEADRO CN(CC(=O)Nc1ccccc1I)C[C@H]1CCC[N@@H+]1C ZINC000421005789 648461865 /nfs/dbraw/zinc/46/18/65/648461865.db2.gz PKUUWRXXQBFBSP-GFCCVEGCSA-N 1 0 387.265 2.256 20 0 GEADRO CN(C(=O)C(=O)N1CCc2c1cccc2Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000421212839 648471657 /nfs/dbraw/zinc/47/16/57/648471657.db2.gz YOWAMKIAHRHMIC-CYBMUJFWSA-N 1 0 392.297 2.033 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)N2CCc3c2cccc3Br)CC1 ZINC000421216122 648472158 /nfs/dbraw/zinc/47/21/58/648472158.db2.gz PIPHDVFSHQJREB-UHFFFAOYSA-N 1 0 394.313 2.329 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000421303794 648486738 /nfs/dbraw/zinc/48/67/38/648486738.db2.gz SNBPVTIPWDEVIJ-SNVBAGLBSA-N 1 0 390.228 2.218 20 0 GEADRO CC[NH+]1CCC(N2CCCN(Cc3ccc(S(C)(=O)=O)s3)CC2)CC1 ZINC000421364969 648488704 /nfs/dbraw/zinc/48/87/04/648488704.db2.gz AEVKWBMXORJEOL-UHFFFAOYSA-N 1 0 385.599 2.144 20 0 GEADRO CC[C@@H]([NH2+]C1CCN(OC)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000421883067 648510177 /nfs/dbraw/zinc/51/01/77/648510177.db2.gz STASAALVOWSPBR-OAHLLOKOSA-N 1 0 375.922 2.315 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000422004018 648516954 /nfs/dbraw/zinc/51/69/54/648516954.db2.gz FPDQTFIMMWMGOF-UHFFFAOYSA-N 1 0 388.331 2.229 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422096486 648522036 /nfs/dbraw/zinc/52/20/36/648522036.db2.gz AJRZPPHESNRTED-INIZCTEOSA-N 1 0 396.329 2.269 20 0 GEADRO Cc1csc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)n1 ZINC000422305201 648535419 /nfs/dbraw/zinc/53/54/19/648535419.db2.gz JUBXXKYHYVKPCF-CYBMUJFWSA-N 1 0 380.539 2.281 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CS1 ZINC000422352163 648539246 /nfs/dbraw/zinc/53/92/46/648539246.db2.gz DQESLTXLXYGOKB-HGTKMLMNSA-N 1 0 381.567 2.257 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000422531401 648557623 /nfs/dbraw/zinc/55/76/23/648557623.db2.gz OSGRBKWUWLXWCD-GJZGRUSLSA-N 1 0 383.583 2.429 20 0 GEADRO Brc1ccccc1N1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422703480 648573776 /nfs/dbraw/zinc/57/37/76/648573776.db2.gz HVIKXEICFGAKSF-BMGDILEWSA-N 1 0 380.330 2.384 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422899059 648575772 /nfs/dbraw/zinc/57/57/72/648575772.db2.gz NMWZVULTOLMPRA-KBRIMQKVSA-N 1 0 396.329 2.159 20 0 GEADRO C[C@H](C[C@@H]1COCCN1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422908520 648576690 /nfs/dbraw/zinc/57/66/90/648576690.db2.gz MUDPMNVSSLCABQ-GDBMZVCRSA-N 1 0 398.345 2.154 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000422958154 648578879 /nfs/dbraw/zinc/57/88/79/648578879.db2.gz WVKLOADFUYWSLK-DZGCQCFKSA-N 1 0 384.318 2.443 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000423121049 648582881 /nfs/dbraw/zinc/58/28/81/648582881.db2.gz HVRQMXBENXNMEW-HNNXBMFYSA-N 1 0 396.329 2.463 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423130238 648583940 /nfs/dbraw/zinc/58/39/40/648583940.db2.gz GGRYWLRZHPOLMI-NSHDSACASA-N 1 0 388.331 2.056 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000423133684 648584121 /nfs/dbraw/zinc/58/41/21/648584121.db2.gz VVPAQJXZNMLPJX-HNNXBMFYSA-N 1 0 396.329 2.463 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@H]2COCCN2)cc1Br ZINC000423149866 648584347 /nfs/dbraw/zinc/58/43/47/648584347.db2.gz BBDYFCLDKIZYOK-XIRDDKMYSA-N 1 0 385.346 2.265 20 0 GEADRO CC(C)(CNC(=O)c1cn(CCCC[NH3+])nn1)c1cccc(Br)c1 ZINC000423143050 648584435 /nfs/dbraw/zinc/58/44/35/648584435.db2.gz WFEXNNVGWDXUKZ-UHFFFAOYSA-N 1 0 394.317 2.487 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)N[C@@H]2CCc3c2cccc3Br)nn1 ZINC000423158557 648585458 /nfs/dbraw/zinc/58/54/58/648585458.db2.gz OCVWEPKHPZHZFL-CQSZACIVSA-N 1 0 378.274 2.197 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1Br ZINC000423164495 648585590 /nfs/dbraw/zinc/58/55/90/648585590.db2.gz SRIMGOBEUCOHFC-ZYSHUDEJSA-N 1 0 397.357 2.265 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)CC1 ZINC000423164763 648585646 /nfs/dbraw/zinc/58/56/46/648585646.db2.gz ACQQTRJCUSQBJV-SNVBAGLBSA-N 1 0 388.331 2.055 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000423172973 648586582 /nfs/dbraw/zinc/58/65/82/648586582.db2.gz WFWZQCVTPXLPHB-GFCCVEGCSA-N 1 0 390.347 2.301 20 0 GEADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423175192 648587177 /nfs/dbraw/zinc/58/71/77/648587177.db2.gz DIJYHAXLDUALCB-KGLIPLIRSA-N 1 0 384.307 2.410 20 0 GEADRO C[C@@H](NCC1([NH3+])CCCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423175167 648587240 /nfs/dbraw/zinc/58/72/40/648587240.db2.gz DHNIIETYBAJELV-LLVKDONJSA-N 1 0 390.347 2.409 20 0 GEADRO [NH3+]CCCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)nn1 ZINC000423242715 648588392 /nfs/dbraw/zinc/58/83/92/648588392.db2.gz FSZDXFULWQTUMC-UHFFFAOYSA-N 1 0 394.209 2.465 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423265590 648588844 /nfs/dbraw/zinc/58/88/44/648588844.db2.gz CHRNTADCKANIKC-LLVKDONJSA-N 1 0 398.280 2.280 20 0 GEADRO CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000423279135 648588937 /nfs/dbraw/zinc/58/89/37/648588937.db2.gz SEHWWYPUBIDPPN-YPMHNXCESA-N 1 0 398.326 2.004 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000423357469 648589532 /nfs/dbraw/zinc/58/95/32/648589532.db2.gz ICGVWRNKPUTGRA-HNNXBMFYSA-N 1 0 383.945 2.400 20 0 GEADRO COCCNCC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423336621 648589557 /nfs/dbraw/zinc/58/95/57/648589557.db2.gz QNLJEKQSOZBQOL-ZDUSSCGKSA-N 1 0 376.282 2.438 20 0 GEADRO CCC([NH3+])(CC)CN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423292143 648589592 /nfs/dbraw/zinc/58/95/92/648589592.db2.gz LQSLKMBJZMDZCL-JTQLQIEISA-N 1 0 378.336 2.265 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000423369698 648590096 /nfs/dbraw/zinc/59/00/96/648590096.db2.gz SYRMENNODDORPV-NOLJZWGESA-N 1 0 381.929 2.152 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423423091 648590703 /nfs/dbraw/zinc/59/07/03/648590703.db2.gz KSHODQLAXZVSKP-CXAGYDPISA-N 1 0 376.298 2.476 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423449624 648591322 /nfs/dbraw/zinc/59/13/22/648591322.db2.gz CQEIOSORAVWLGS-SFHVURJKSA-N 1 0 394.313 2.070 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423500767 648593023 /nfs/dbraw/zinc/59/30/23/648593023.db2.gz DFGAIEWCGXEFJW-RRQGHBQHSA-N 1 0 376.298 2.345 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CC[NH2+]1 ZINC000423501229 648593054 /nfs/dbraw/zinc/59/30/54/648593054.db2.gz BCCRTTWRMYDEFT-ABAIWWIYSA-N 1 0 398.276 2.072 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CNCCN1C ZINC000423511847 648593639 /nfs/dbraw/zinc/59/36/39/648593639.db2.gz KIPKJOLDOKCGEQ-CZUORRHYSA-N 1 0 387.309 2.106 20 0 GEADRO CN1CCNC[C@H]1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423531189 648594706 /nfs/dbraw/zinc/59/47/06/648594706.db2.gz ZPKBSSJAJXKHOA-ZWKOTPCHSA-N 1 0 382.346 2.410 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423663715 648598950 /nfs/dbraw/zinc/59/89/50/648598950.db2.gz DJYPNBDBHTUHTL-XJKSGUPXSA-N 1 0 396.329 2.178 20 0 GEADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000423708095 648600406 /nfs/dbraw/zinc/60/04/06/648600406.db2.gz LUFOLAXSQWTPML-INIZCTEOSA-N 1 0 396.329 2.051 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423714900 648600410 /nfs/dbraw/zinc/60/04/10/648600410.db2.gz YIXRCDCGANCWSX-HNNXBMFYSA-N 1 0 396.329 2.414 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCOc2ccc(I)cc2)C1 ZINC000423837240 648602602 /nfs/dbraw/zinc/60/26/02/648602602.db2.gz AXPURVBZSAMQFW-BXUZGUMPSA-N 1 0 388.249 2.174 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)nn1 ZINC000423854224 648602851 /nfs/dbraw/zinc/60/28/51/648602851.db2.gz XAHHKRFHUNGXSR-UHFFFAOYSA-N 1 0 392.301 2.409 20 0 GEADRO [NH3+]C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C1CCCC1 ZINC000423938390 648603568 /nfs/dbraw/zinc/60/35/68/648603568.db2.gz JBAMNZPJBOEBJQ-OAHLLOKOSA-N 1 0 382.302 2.203 20 0 GEADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CCCC1 ZINC000423937404 648603591 /nfs/dbraw/zinc/60/35/91/648603591.db2.gz GQRCNPNPPBDEIY-ZFWWWQNUSA-N 1 0 394.313 2.436 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CCCC1 ZINC000423938619 648603625 /nfs/dbraw/zinc/60/36/25/648603625.db2.gz JQFXUSLVMBJEQB-HZPDHXFCSA-N 1 0 394.313 2.436 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000423945706 648604173 /nfs/dbraw/zinc/60/41/73/648604173.db2.gz BFBCKVQXKJWUKR-RISCZKNCSA-N 1 0 382.302 2.292 20 0 GEADRO Cc1ccc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(Br)c1 ZINC000424001476 648608516 /nfs/dbraw/zinc/60/85/16/648608516.db2.gz NGOWYCKGIZNDHH-CYBMUJFWSA-N 1 0 378.274 2.285 20 0 GEADRO C[C@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C[NH3+] ZINC000424000754 648608522 /nfs/dbraw/zinc/60/85/22/648608522.db2.gz OORVSFJJOSDCQI-AAEUAGOBSA-N 1 0 383.286 2.206 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)COc3ccc(Cl)cc3Cl)C2)nn1 ZINC000424008370 648609864 /nfs/dbraw/zinc/60/98/64/648609864.db2.gz WRQKQWWWYCXKIM-ZDUSSCGKSA-N 1 0 384.267 2.286 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424013686 648610276 /nfs/dbraw/zinc/61/02/76/648610276.db2.gz KYICNHXIINJXQV-SGMGOOAPSA-N 1 0 382.302 2.011 20 0 GEADRO CN1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1=O ZINC000424185684 648615955 /nfs/dbraw/zinc/61/59/55/648615955.db2.gz HBDZARLSSANNFM-CQSZACIVSA-N 1 0 396.329 2.244 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)C[C@H]1c1ccc(Br)cc1 ZINC000424218888 648619946 /nfs/dbraw/zinc/61/99/46/648619946.db2.gz XSUAZCXKEVXXCF-ARFHVFGLSA-N 1 0 395.297 2.292 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)CCc3cccc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000424234559 648621183 /nfs/dbraw/zinc/62/11/83/648621183.db2.gz KKFAVRHUKZTXMH-JKSUJKDBSA-N 1 0 377.286 2.069 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3cc4cc(Br)ccc4o3)C[C@H]2[NH3+])cn1 ZINC000424228782 648621241 /nfs/dbraw/zinc/62/12/41/648621241.db2.gz UUKUESWOSZDEDD-UONOGXRCSA-N 1 0 389.253 2.496 20 0 GEADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424302607 648622779 /nfs/dbraw/zinc/62/27/79/648622779.db2.gz XVHUVCXLPHBTFW-BJJXKVORSA-N 1 0 383.279 2.368 20 0 GEADRO COC(=O)CC1CC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000424360609 648623226 /nfs/dbraw/zinc/62/32/26/648623226.db2.gz ZWZIRCWZXYNEIB-UHFFFAOYSA-N 1 0 395.308 2.203 20 0 GEADRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc(I)c1 ZINC000424331181 648623348 /nfs/dbraw/zinc/62/33/48/648623348.db2.gz IZNNDQCHKHKZJS-ZLKJLUDKSA-N 1 0 387.265 2.478 20 0 GEADRO Cc1cc(C[NH3+])cc(NC(=O)NCCn2cc(Br)ccc2=O)c1 ZINC000424428413 648627753 /nfs/dbraw/zinc/62/77/53/648627753.db2.gz SVXFMIVJKHIGQR-UHFFFAOYSA-N 1 0 379.258 2.200 20 0 GEADRO Cc1oc(Br)cc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000424571897 648635593 /nfs/dbraw/zinc/63/55/93/648635593.db2.gz XMTWMIRZKSITOS-UHFFFAOYSA-N 1 0 393.285 2.427 20 0 GEADRO COC(=O)c1cnc([C@@H](C)NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC000425209573 648671274 /nfs/dbraw/zinc/67/12/74/648671274.db2.gz URWSJKDDSLIEQJ-LLVKDONJSA-N 1 0 383.495 2.031 20 0 GEADRO CCOc1cc(C[NH2+]CCCCS(C)(=O)=O)cc(Br)c1O ZINC000425354671 648674001 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C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000425738240 648692477 /nfs/dbraw/zinc/69/24/77/648692477.db2.gz HDADRSFNOBNVNI-JTQLQIEISA-N 1 0 375.803 2.290 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000425816302 648698407 /nfs/dbraw/zinc/69/84/07/648698407.db2.gz GAPCFQUMYACLHI-IINYFYTJSA-N 1 0 384.249 2.079 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc(F)c1Br ZINC000425823592 648699634 /nfs/dbraw/zinc/69/96/34/648699634.db2.gz WPKHEMOWJXKJBY-SMDDNHRTSA-N 1 0 398.276 2.388 20 0 GEADRO C[C@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C[NH+](C)C ZINC000425917824 648700995 /nfs/dbraw/zinc/70/09/95/648700995.db2.gz HATFVCCYJYAJMR-BXUZGUMPSA-N 1 0 375.332 2.455 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000426119097 648703837 /nfs/dbraw/zinc/70/38/37/648703837.db2.gz ZTSLAYURXJDICG-DGCLKSJQSA-N 1 0 390.347 2.497 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000426957319 648719898 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Cc1sc2nc(C)nc(SCC(=O)NC[C@H]3C[NH2+]CCCO3)c2c1C ZINC000560158565 651304382 /nfs/dbraw/zinc/30/43/82/651304382.db2.gz SCKBYIHTMBMXCI-CYBMUJFWSA-N 1 0 380.539 2.203 20 0 GEADRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc(I)c1 ZINC000560259584 651305544 /nfs/dbraw/zinc/30/55/44/651305544.db2.gz XTGUYFJBCGRXDK-CQSZACIVSA-N 1 0 377.222 2.349 20 0 GEADRO COc1cc(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc(Br)c1OC ZINC000560393863 651308548 /nfs/dbraw/zinc/30/85/48/651308548.db2.gz FNQZJCYLMHFXQY-GXTWGEPZSA-N 1 0 398.301 2.312 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000560444812 651309798 /nfs/dbraw/zinc/30/97/98/651309798.db2.gz QYUWAWBHZQOAER-LLVKDONJSA-N 1 0 385.287 2.196 20 0 GEADRO COCC[NH+]1CCC(NCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000560898592 651471995 /nfs/dbraw/zinc/47/19/95/651471995.db2.gz IQDDMSNZIKNJAI-UHFFFAOYSA-N 1 0 394.317 2.230 20 0 GEADRO COC(=O)c1ccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c(Br)c1 ZINC000603240479 651473351 /nfs/dbraw/zinc/47/33/51/651473351.db2.gz 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O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000642919969 651475848 /nfs/dbraw/zinc/47/58/48/651475848.db2.gz QQSBRVNUCPTZMW-HNNXBMFYSA-N 1 0 398.276 2.120 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCC[NH2+]C2CC2)ccc1Br ZINC000642919848 651475859 /nfs/dbraw/zinc/47/58/59/651475859.db2.gz KAFYYRJEVMVXFC-INIZCTEOSA-N 1 0 394.313 2.289 20 0 GEADRO CSC1(C[NH2+]CC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCC1 ZINC000721755159 651477278 /nfs/dbraw/zinc/47/72/78/651477278.db2.gz UULVXFLHQHHTJI-AWEZNQCLSA-N 1 0 392.587 2.286 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000643081368 651477371 /nfs/dbraw/zinc/47/73/71/651477371.db2.gz QUBFGINYGMUHJP-YESZJQIVSA-N 1 0 396.329 2.194 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)C1 ZINC000643195556 651479108 /nfs/dbraw/zinc/47/91/08/651479108.db2.gz RSOTXUKKORVYRU-GFCCVEGCSA-N 1 0 397.488 2.167 20 0 GEADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000725895891 651482414 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GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ncc(I)s3)C2)C1 ZINC000603433624 651491708 /nfs/dbraw/zinc/49/17/08/651491708.db2.gz HGKKKUZYBZOHGS-CYBMUJFWSA-N 1 0 391.278 2.306 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000562567244 651496376 /nfs/dbraw/zinc/49/63/76/651496376.db2.gz HPYJXZIICGLUIL-QZTJIDSGSA-N 1 0 380.897 2.158 20 0 GEADRO CS(=O)(=O)Nc1cccc(C[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000603517209 651498477 /nfs/dbraw/zinc/49/84/77/651498477.db2.gz INDGXILJILICIR-UHFFFAOYSA-N 1 0 381.885 2.231 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000562668734 651499138 /nfs/dbraw/zinc/49/91/38/651499138.db2.gz DFUVGPGGENWVOV-UHFFFAOYSA-N 1 0 399.333 2.127 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cc(Br)cc4c3OCC4)C2)nn1 ZINC000562751424 651501406 /nfs/dbraw/zinc/50/14/06/651501406.db2.gz WPECZQPLSRQYOZ-MRXNPFEDSA-N 1 0 392.301 2.271 20 0 GEADRO C[C@]1(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000562976028 651504633 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O=C(NCCc1ccc(F)c(Br)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000569110929 651701697 /nfs/dbraw/zinc/70/16/97/651701697.db2.gz YKBJRKIBXBUVJC-LBPRGKRZSA-N 1 0 396.264 2.077 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646588652 651704021 /nfs/dbraw/zinc/70/40/21/651704021.db2.gz YMJYAULWGURUBL-UHFFFAOYSA-N 1 0 381.889 2.255 20 0 GEADRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(I)cc2)C[C@H]1C ZINC000611091798 651706171 /nfs/dbraw/zinc/70/61/71/651706171.db2.gz QDPMWJRGYXLPBQ-GFCCVEGCSA-N 1 0 387.265 2.256 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000569362950 651709969 /nfs/dbraw/zinc/70/99/69/651709969.db2.gz RZEJQHPAGQOGCJ-MFKMUULPSA-N 1 0 389.315 2.180 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000569378296 651710519 /nfs/dbraw/zinc/71/05/19/651710519.db2.gz NEXVQMSEJLPVNR-CQSZACIVSA-N 1 0 386.265 2.391 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000569448609 651714234 /nfs/dbraw/zinc/71/42/34/651714234.db2.gz 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ZINC000569603969 651720119 /nfs/dbraw/zinc/72/01/19/651720119.db2.gz GBXMVTATKMFWJY-UHFFFAOYSA-N 1 0 397.324 2.378 20 0 GEADRO CN1CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000646835499 651722569 /nfs/dbraw/zinc/72/25/69/651722569.db2.gz QWWLBVWNPYFMGV-SNVBAGLBSA-N 1 0 396.207 2.063 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000569808143 651726101 /nfs/dbraw/zinc/72/61/01/651726101.db2.gz LFTAFLQVDFESMA-DYEKYZERSA-N 1 0 386.334 2.334 20 0 GEADRO CC[S@@](=O)CCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000733880033 651726918 /nfs/dbraw/zinc/72/69/18/651726918.db2.gz SCLBAUFFYYCIFM-IVCQMTBJSA-N 1 0 376.444 2.326 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000569848622 651728456 /nfs/dbraw/zinc/72/84/56/651728456.db2.gz JWUKBPJXVMAVDP-YWPYICTPSA-N 1 0 382.302 2.296 20 0 GEADRO Brc1ccccc1-n1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)nn1 ZINC000569861341 651729807 /nfs/dbraw/zinc/72/98/07/651729807.db2.gz 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ZINC000647225950 651737786 /nfs/dbraw/zinc/73/77/86/651737786.db2.gz JMHGOQCSBBDBKW-UHFFFAOYSA-N 1 0 375.210 2.437 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000647269290 651738375 /nfs/dbraw/zinc/73/83/75/651738375.db2.gz PWTUUHZQCOQXKS-UFBFGSQYSA-N 1 0 383.258 2.475 20 0 GEADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)C1 ZINC000647271930 651738807 /nfs/dbraw/zinc/73/88/07/651738807.db2.gz QUIPYPOPDQYFSU-PHIMTYICSA-N 1 0 388.312 2.341 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1F ZINC000734243203 651740232 /nfs/dbraw/zinc/74/02/32/651740232.db2.gz FLKGNNHKFPNTAA-CQSZACIVSA-N 1 0 376.881 2.401 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1F ZINC000734242979 651740240 /nfs/dbraw/zinc/74/02/40/651740240.db2.gz CGOFYULCVSPYRO-ZDUSSCGKSA-N 1 0 376.881 2.401 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647284148 651741038 /nfs/dbraw/zinc/74/10/38/651741038.db2.gz DSQCBYMJCQFCEW-QMTHXVAHSA-N 1 0 386.315 2.217 20 0 GEADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647291897 651742226 /nfs/dbraw/zinc/74/22/26/651742226.db2.gz CHTXHKRNLOENSE-AWEZNQCLSA-N 1 0 377.279 2.352 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000647293328 651742270 /nfs/dbraw/zinc/74/22/70/651742270.db2.gz ARBGCQMBOIXCLX-IUCAKERBSA-N 1 0 385.686 2.423 20 0 GEADRO CC(C)(C)n1cc(Br)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000612015827 651742361 /nfs/dbraw/zinc/74/23/61/651742361.db2.gz VAQQZRDUPKHWJW-ZDUSSCGKSA-N 1 0 399.333 2.195 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000647293467 651742347 /nfs/dbraw/zinc/74/23/47/651742347.db2.gz JBGLYOXMDCICPE-ZFWWWQNUSA-N 1 0 386.880 2.155 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000647294276 651742354 /nfs/dbraw/zinc/74/23/54/651742354.db2.gz VXDUBWIIVUDHTN-STQMWFEESA-N 1 0 379.295 2.386 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000612041106 651742944 /nfs/dbraw/zinc/74/29/44/651742944.db2.gz PUUWYJBYNKSOKU-CQSZACIVSA-N 1 0 396.329 2.363 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)NC3(C)CC[NH2+]CC3)cc21 ZINC000647324467 651743925 /nfs/dbraw/zinc/74/39/25/651743925.db2.gz XEUUDMWROFNOGO-UHFFFAOYSA-N 1 0 386.315 2.361 20 0 GEADRO CC[C@@H](NC(=S)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1cccs1 ZINC000734374654 651743885 /nfs/dbraw/zinc/74/38/85/651743885.db2.gz AZWWVAUWBLJNIX-OAHLLOKOSA-N 1 0 382.599 2.464 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000647494878 651749208 /nfs/dbraw/zinc/74/92/08/651749208.db2.gz ZGJQTNZOVJBMFU-DTWKUNHWSA-N 1 0 390.253 2.167 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000570147494 651750009 /nfs/dbraw/zinc/75/00/09/651750009.db2.gz VOOUXJKZOPFWNR-HDJSIYSDSA-N 1 0 384.307 2.471 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)N[C@@H]3CCc4sc(Cl)cc43)C2)nn1 ZINC000570188061 651751670 /nfs/dbraw/zinc/75/16/70/651751670.db2.gz XJQUJMUEGGZSCW-WCQYABFASA-N 1 0 380.905 2.486 20 0 GEADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000647678192 651754209 /nfs/dbraw/zinc/75/42/09/651754209.db2.gz XXNGOYFMVYWUEP-MRXNPFEDSA-N 1 0 396.329 2.356 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000612430614 651756468 /nfs/dbraw/zinc/75/64/68/651756468.db2.gz FWSLWSTTYGHCMD-AWEZNQCLSA-N 1 0 382.302 2.479 20 0 GEADRO Brc1cc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cnc1N1CCOCC1 ZINC000647796511 651759964 /nfs/dbraw/zinc/75/99/64/651759964.db2.gz BZKWXGKXZGLKDR-MGPQQGTHSA-N 1 0 381.318 2.481 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1cc(F)ccc1Br ZINC000647823083 651761377 /nfs/dbraw/zinc/76/13/77/651761377.db2.gz CNWZFRHEBBFLAD-HZPDHXFCSA-N 1 0 385.277 2.452 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000570341971 651761494 /nfs/dbraw/zinc/76/14/94/651761494.db2.gz XEARSQTWCRRLKP-MRXNPFEDSA-N 1 0 383.539 2.214 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000612552734 651761660 /nfs/dbraw/zinc/76/16/60/651761660.db2.gz WIBJQNSSAHPOAR-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CCO1 ZINC000647865845 651763704 /nfs/dbraw/zinc/76/37/04/651763704.db2.gz VAYAHPCOLODIJT-BLLLJJGKSA-N 1 0 377.286 2.454 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2Br)CCO1 ZINC000647875943 651764343 /nfs/dbraw/zinc/76/43/43/651764343.db2.gz NATBDUYECLUZRO-HZMBPMFUSA-N 1 0 391.693 2.446 20 0 GEADRO CC(C)(NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000647994192 651769222 /nfs/dbraw/zinc/76/92/22/651769222.db2.gz VQFYHOQHEQXTAH-AWEZNQCLSA-N 1 0 382.302 2.059 20 0 GEADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1(c2ccc(Br)cc2)CCC1 ZINC000648006495 651769846 /nfs/dbraw/zinc/76/98/46/651769846.db2.gz IIDYYQYKHGPDEZ-OAHLLOKOSA-N 1 0 394.313 2.203 20 0 GEADRO Cc1cc(NC(=O)C[NH2+]CC(C)(C)N2CCOCC2)ccc1Br ZINC000612805956 651771111 /nfs/dbraw/zinc/77/11/11/651771111.db2.gz UKPQGTOQDZJXCX-UHFFFAOYSA-N 1 0 384.318 2.396 20 0 GEADRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000570497756 651771222 /nfs/dbraw/zinc/77/12/22/651771222.db2.gz SFGZTCLCPFJZIZ-ZDUSSCGKSA-N 1 0 383.334 2.485 20 0 GEADRO CC1(OCC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)C[NH2+]C1 ZINC000648072300 651773338 /nfs/dbraw/zinc/77/33/38/651773338.db2.gz WMIVOOUBRTXBDG-CQSZACIVSA-N 1 0 377.243 2.411 20 0 GEADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCOc2ccc(Br)cc2C1 ZINC000648173813 651775111 /nfs/dbraw/zinc/77/51/11/651775111.db2.gz SJPNYNQVIILXBY-GFCCVEGCSA-N 1 0 375.213 2.415 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000648182190 651775733 /nfs/dbraw/zinc/77/57/33/651775733.db2.gz BRXQLOXWYJEBEG-AWEZNQCLSA-N 1 0 382.913 2.437 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612963139 651776748 /nfs/dbraw/zinc/77/67/48/651776748.db2.gz HKCWFCYCANCWAI-AWEZNQCLSA-N 1 0 395.301 2.137 20 0 GEADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000570624432 651778918 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GEADRO COc1cc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)ncc1Br ZINC000570839591 651794720 /nfs/dbraw/zinc/79/47/20/651794720.db2.gz LPOKCZLFANMHFX-LLVKDONJSA-N 1 0 380.246 2.226 20 0 GEADRO C[C@H](CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)n1cc(Br)cn1 ZINC000648722606 651797119 /nfs/dbraw/zinc/79/71/19/651797119.db2.gz AMYFJDMSNHKMLA-MGPQQGTHSA-N 1 0 387.322 2.212 20 0 GEADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000570875563 651797223 /nfs/dbraw/zinc/79/72/23/651797223.db2.gz OFBYEERYDGDNOF-ZDUSSCGKSA-N 1 0 389.949 2.210 20 0 GEADRO C[C@@H](CC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)n1cc(Br)cn1 ZINC000648753762 651799362 /nfs/dbraw/zinc/79/93/62/651799362.db2.gz IBIRNIZHAZSMJK-GOEBONIOSA-N 1 0 399.333 2.310 20 0 GEADRO C[C@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)n1cc(Br)cn1 ZINC000648771339 651801169 /nfs/dbraw/zinc/80/11/69/651801169.db2.gz OKHFPVIHEUWUSR-CQSZACIVSA-N 1 0 399.333 2.358 20 0 GEADRO CC[NH+]1CCN(CC(=O)NC2(c3cc(Br)ccc3OC)CC2)CC1 ZINC000648957687 651808229 /nfs/dbraw/zinc/80/82/29/651808229.db2.gz HUMTZANOVHOHEY-UHFFFAOYSA-N 1 0 396.329 2.201 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Br ZINC000571056463 651808685 /nfs/dbraw/zinc/80/86/85/651808685.db2.gz VFIBZOOABNNCDS-HOSYDEDBSA-N 1 0 384.249 2.031 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(-n3cc(Br)cn3)cc1)C2 ZINC000614040758 651810068 /nfs/dbraw/zinc/81/00/68/651810068.db2.gz YUBUJGACSYLABW-UHFFFAOYSA-N 1 0 375.270 2.413 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)C1CCN(C(=O)c3ccc(Cl)s3)CC1)C2 ZINC000614039041 651810167 /nfs/dbraw/zinc/81/01/67/651810167.db2.gz KSLLMXKROBEXIM-UHFFFAOYSA-N 1 0 381.929 2.418 20 0 GEADRO CCCN(C(=O)CNC(=O)c1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000649005331 651810541 /nfs/dbraw/zinc/81/05/41/651810541.db2.gz USIKRFAQHQGXDA-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2(c3ccccc3Br)CC2)C1 ZINC000614065194 651811451 /nfs/dbraw/zinc/81/14/51/651811451.db2.gz MCXPYMALDIURDA-QGZVFWFLSA-N 1 0 381.314 2.396 20 0 GEADRO Cc1c(Br)ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1F ZINC000649070576 651813915 /nfs/dbraw/zinc/81/39/15/651813915.db2.gz QZCMVMADEZWKPE-NSHDSACASA-N 1 0 386.265 2.089 20 0 GEADRO Cc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(C)cc1Br ZINC000649073183 651814378 /nfs/dbraw/zinc/81/43/78/651814378.db2.gz QDMQYLDFNFVPFA-CYBMUJFWSA-N 1 0 382.302 2.258 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)c1ccc(Br)cc1 ZINC000649076897 651815102 /nfs/dbraw/zinc/81/51/02/651815102.db2.gz GICNDVASAWJREQ-ZDUSSCGKSA-N 1 0 396.329 2.305 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000571180897 651815957 /nfs/dbraw/zinc/81/59/57/651815957.db2.gz XHAXZQPXVMWJIE-BQBZGAKWSA-N 1 0 382.180 2.258 20 0 GEADRO COc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000649132493 651817053 /nfs/dbraw/zinc/81/70/53/651817053.db2.gz CFBZCMGHASFFAN-UHFFFAOYSA-N 1 0 383.286 2.395 20 0 GEADRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000571241728 651820284 /nfs/dbraw/zinc/82/02/84/651820284.db2.gz SEEJBCSPJZKLLX-ZDUSSCGKSA-N 1 0 385.331 2.363 20 0 GEADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(Br)cnc1N(C)C ZINC000649269038 651822232 /nfs/dbraw/zinc/82/22/32/651822232.db2.gz UREOERDHTCLXDE-AWEZNQCLSA-N 1 0 393.285 2.349 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571281268 651822630 /nfs/dbraw/zinc/82/26/30/651822630.db2.gz NISDSQSUHSMMHH-PBHICJAKSA-N 1 0 397.313 2.397 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000571296195 651824227 /nfs/dbraw/zinc/82/42/27/651824227.db2.gz ZQQIRAKMMHINJK-UHFFFAOYSA-N 1 0 375.803 2.038 20 0 GEADRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000649378690 651824412 /nfs/dbraw/zinc/82/44/12/651824412.db2.gz WTGRLOUJRLUOET-OAHLLOKOSA-N 1 0 384.318 2.275 20 0 GEADRO CS[C@@H]1CN(C(=O)CCn2cc(Br)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000614460212 651828840 /nfs/dbraw/zinc/82/88/40/651828840.db2.gz YFGJZBUBGZHVNA-UONOGXRCSA-N 1 0 387.347 2.074 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000736666833 651830298 /nfs/dbraw/zinc/83/02/98/651830298.db2.gz XAVOCXCONQBUEB-WFASDCNBSA-N 1 0 376.284 2.047 20 0 GEADRO C[NH2+]CCS[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000571400749 651830418 /nfs/dbraw/zinc/83/04/18/651830418.db2.gz XBMGRWQEKYQOLY-CQSZACIVSA-N 1 0 385.555 2.141 20 0 GEADRO CN(CC[NH+]1CCCCC1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000649888093 651836671 /nfs/dbraw/zinc/83/66/71/651836671.db2.gz DLISAPJVBNAOCR-UHFFFAOYSA-N 1 0 379.302 2.375 20 0 GEADRO CCC(=O)N[C@H](C)C(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000649988750 651839504 /nfs/dbraw/zinc/83/95/04/651839504.db2.gz JUXSYCLFJLJPCD-CYBMUJFWSA-N 1 0 399.333 2.434 20 0 GEADRO C[NH+](C)C[C@H](CO)NC(=O)CCCSc1ccc(Br)cc1 ZINC000614852028 651841243 /nfs/dbraw/zinc/84/12/43/651841243.db2.gz FPUYNQOALOTZPM-CYBMUJFWSA-N 1 0 375.332 2.360 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000650013975 651841408 /nfs/dbraw/zinc/84/14/08/651841408.db2.gz QPOSXOKRIFEGNL-FZMZJTMJSA-N 1 0 377.279 2.054 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000571625579 651844363 /nfs/dbraw/zinc/84/43/63/651844363.db2.gz MFTHQRPXTYVZSP-CQSZACIVSA-N 1 0 382.302 2.154 20 0 GEADRO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000571638870 651845246 /nfs/dbraw/zinc/84/52/46/651845246.db2.gz BPRXCKJKLCDRBN-YOEHRIQHSA-N 1 0 382.302 2.497 20 0 GEADRO CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000571638869 651845287 /nfs/dbraw/zinc/84/52/87/651845287.db2.gz BPRXCKJKLCDRBN-WMLDXEAASA-N 1 0 382.302 2.497 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000571729757 651849810 /nfs/dbraw/zinc/84/98/10/651849810.db2.gz NIGIUELDXCKOBK-UHFFFAOYSA-N 1 0 383.290 2.115 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000615182535 651854167 /nfs/dbraw/zinc/85/41/67/651854167.db2.gz KFFLUWFYRRSPEY-MWNCTCPHSA-N 1 0 380.286 2.084 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000571792731 651854511 /nfs/dbraw/zinc/85/45/11/651854511.db2.gz QALZKOTZMFXIOX-OAHLLOKOSA-N 1 0 384.322 2.306 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1=O ZINC000650308061 651855139 /nfs/dbraw/zinc/85/51/39/651855139.db2.gz ZXKJSPFXYPAOOV-UHFFFAOYSA-N 1 0 377.794 2.205 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1nn(C(C)(C)C)cc1Br ZINC000615276247 651859828 /nfs/dbraw/zinc/85/98/28/651859828.db2.gz QSFZXVAWGRSYFX-KGLIPLIRSA-N 1 0 399.333 2.336 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C2)CC1 ZINC000615280020 651860430 /nfs/dbraw/zinc/86/04/30/651860430.db2.gz ZNYWSEBMWYGMFX-ZWKOTPCHSA-N 1 0 392.341 2.258 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cccc2c1OCC2)N1CCc2sccc2C1 ZINC000571990270 651865561 /nfs/dbraw/zinc/86/55/61/651865561.db2.gz IVEISPNWUIAJMQ-ZDUSSCGKSA-N 1 0 378.519 2.408 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cccc2c1OCC2)N1CCc2sccc2C1 ZINC000571990269 651865630 /nfs/dbraw/zinc/86/56/30/651865630.db2.gz IVEISPNWUIAJMQ-CYBMUJFWSA-N 1 0 378.519 2.408 20 0 GEADRO CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000572015722 651867811 /nfs/dbraw/zinc/86/78/11/651867811.db2.gz DWTURGKZIKPQCK-MRXNPFEDSA-N 1 0 395.345 2.277 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cc4c(cc3Br)CCC4)C[C@H]12 ZINC000572102008 651872896 /nfs/dbraw/zinc/87/28/96/651872896.db2.gz GYEYEMMJZCMPPS-KCQAQPDRSA-N 1 0 392.297 2.072 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)CC1=O ZINC000651114844 651872893 /nfs/dbraw/zinc/87/28/93/651872893.db2.gz QGHQLDIDHVYKJS-ZDUSSCGKSA-N 1 0 384.933 2.194 20 0 GEADRO C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1ccccc1Br ZINC000572104644 651873224 /nfs/dbraw/zinc/87/32/24/651873224.db2.gz PPLKJWMVDIJSLN-MGPQQGTHSA-N 1 0 382.302 2.467 20 0 GEADRO CC[N@H+](CCCNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1CCCCC1 ZINC000651220594 651876214 /nfs/dbraw/zinc/87/62/14/651876214.db2.gz NIKXRMPNOVMQBP-HZPDHXFCSA-N 1 0 375.579 2.494 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1nc2ccccc2s1 ZINC000572152148 651876405 /nfs/dbraw/zinc/87/64/05/651876405.db2.gz NUZWCEXKDVBTEF-YUELXQCFSA-N 1 0 381.523 2.169 20 0 GEADRO CN1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)c2ccc(Br)cc21 ZINC000572177753 651877556 /nfs/dbraw/zinc/87/75/56/651877556.db2.gz BCXMHIKBJBGTBH-UHFFFAOYSA-N 1 0 392.301 2.304 20 0 GEADRO C[NH+](C)CC1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)CC1 ZINC000738077032 651879397 /nfs/dbraw/zinc/87/93/97/651879397.db2.gz QLMUNPKEMQJBQV-UHFFFAOYSA-N 1 0 380.286 2.210 20 0 GEADRO CCCNC(=O)CSc1nn(CN2CCC[C@@H]([NH+](C)C)C2)c(=S)s1 ZINC000738143862 651882328 /nfs/dbraw/zinc/88/23/28/651882328.db2.gz NEDGTYUSECJZIP-GFCCVEGCSA-N 1 0 389.616 2.276 20 0 GEADRO O=S(=O)(NCCNC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1Cl ZINC000572305066 651884231 /nfs/dbraw/zinc/88/42/31/651884231.db2.gz FEEMIEOODDLXOB-UHFFFAOYSA-N 1 0 389.924 2.221 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000572375986 651888494 /nfs/dbraw/zinc/88/84/94/651888494.db2.gz OGXKFNSNQDXXLA-DTORHVGOSA-N 1 0 388.212 2.019 20 0 GEADRO O=C(C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1)Nc1ccc(Br)cc1 ZINC000572383803 651888790 /nfs/dbraw/zinc/88/87/90/651888790.db2.gz OAOQTVGNIRLIKR-IRXDYDNUSA-N 1 0 383.286 2.297 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000572422816 651891407 /nfs/dbraw/zinc/89/14/07/651891407.db2.gz KEIVDQITOKBZJU-UHFFFAOYSA-N 1 0 396.329 2.316 20 0 GEADRO Cc1cc(Br)cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1C ZINC000616478301 651902434 /nfs/dbraw/zinc/90/24/34/651902434.db2.gz OLORKHIROKGGFE-CYBMUJFWSA-N 1 0 382.302 2.258 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000739445976 651903267 /nfs/dbraw/zinc/90/32/67/651903267.db2.gz SGQPDZZRNFHUNX-CVEARBPZSA-N 1 0 380.945 2.394 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000572720969 651907719 /nfs/dbraw/zinc/90/77/19/651907719.db2.gz JNTDCUOZQKSNJZ-ZDUSSCGKSA-N 1 0 388.917 2.367 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000652291442 651913410 /nfs/dbraw/zinc/91/34/10/651913410.db2.gz UAGPOOYBCMYBIF-UHFFFAOYSA-N 1 0 398.301 2.341 20 0 GEADRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000652299285 651914356 /nfs/dbraw/zinc/91/43/56/651914356.db2.gz DQHUJDRMFWOANX-WFASDCNBSA-N 1 0 387.933 2.157 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000652321993 651914985 /nfs/dbraw/zinc/91/49/85/651914985.db2.gz YQIVPQSXGKXWNL-HNNXBMFYSA-N 1 0 388.281 2.311 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CC(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000652349023 651916369 /nfs/dbraw/zinc/91/63/69/651916369.db2.gz ZGGCRSFRDPVDPM-BPLDGKMQSA-N 1 0 397.317 2.001 20 0 GEADRO C[C@@H]1CCCN(Cc2nnnn2-c2ccccc2Br)[C@H]1CC[NH3+] ZINC000652355529 651916429 /nfs/dbraw/zinc/91/64/29/651916429.db2.gz ZZURSVGHYJIQDI-OCCSQVGLSA-N 1 0 379.306 2.374 20 0 GEADRO CCO[C@@H]1CN([C@H](C)C(=O)Nc2ccc(C)cc2Br)C[C@H]1C[NH3+] ZINC000652357789 651916806 /nfs/dbraw/zinc/91/68/06/651916806.db2.gz BDSLRWXPDOIZMC-XJKCOSOUSA-N 1 0 384.318 2.380 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000572877665 651918750 /nfs/dbraw/zinc/91/87/50/651918750.db2.gz UDIKASMEQAQUNP-JOYOIKCWSA-N 1 0 382.258 2.027 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000617011376 651920652 /nfs/dbraw/zinc/92/06/52/651920652.db2.gz CVBRTMSWJBGIKL-LBPRGKRZSA-N 1 0 396.289 2.285 20 0 GEADRO CN(CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C(=O)c1ccc(Br)o1 ZINC000617016887 651921104 /nfs/dbraw/zinc/92/11/04/651921104.db2.gz OYMNVLUPJNNBHW-NSHDSACASA-N 1 0 386.290 2.103 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000617021092 651921565 /nfs/dbraw/zinc/92/15/65/651921565.db2.gz QIRYOWUPTNINAE-CQSZACIVSA-N 1 0 382.302 2.168 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000572976427 651926895 /nfs/dbraw/zinc/92/68/95/651926895.db2.gz OPLQWXJMJBYDAQ-LBPRGKRZSA-N 1 0 382.555 2.108 20 0 GEADRO [NH3+]C[C@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CCCO1 ZINC000572979182 651927519 /nfs/dbraw/zinc/92/75/19/651927519.db2.gz YHVIIVSUGZWSJD-INIZCTEOSA-N 1 0 377.286 2.456 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000572999592 651928228 /nfs/dbraw/zinc/92/82/28/651928228.db2.gz LMQKJYKFTOAXLV-JTQLQIEISA-N 1 0 390.709 2.175 20 0 GEADRO COc1cc(C[NH2+][C@@H](CCO)c2cccs2)cc(Cl)c1OCC(N)=O ZINC000740900368 651930384 /nfs/dbraw/zinc/93/03/84/651930384.db2.gz ONGXXWFEJBNAJN-ZDUSSCGKSA-N 1 0 384.885 2.488 20 0 GEADRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000573043821 651930814 /nfs/dbraw/zinc/93/08/14/651930814.db2.gz UQOBJYWOZXSEIR-SJCJKPOMSA-N 1 0 387.311 2.194 20 0 GEADRO CSC[C@@H](O)C[NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000573083953 651933209 /nfs/dbraw/zinc/93/32/09/651933209.db2.gz JEQDWOBCZQGBKQ-INIZCTEOSA-N 1 0 384.498 2.440 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000653024220 651933378 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Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1I ZINC000575045435 652060000 /nfs/dbraw/zinc/06/00/00/652060000.db2.gz DCKRRGIXSRKFAH-QWRGUYRKSA-N 1 0 394.278 2.018 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000656866294 652061928 /nfs/dbraw/zinc/06/19/28/652061928.db2.gz HCDOLPJVUOJZCA-UHFFFAOYSA-N 1 0 395.294 2.361 20 0 GEADRO CCC(=O)N[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000619512530 652063110 /nfs/dbraw/zinc/06/31/10/652063110.db2.gz WPPQOBYAVALBOT-CYBMUJFWSA-N 1 0 384.318 2.254 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CCC1 ZINC000575116970 652063530 /nfs/dbraw/zinc/06/35/30/652063530.db2.gz UHBYRVGCDZYBAB-CQSZACIVSA-N 1 0 379.444 2.413 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CN1CCc2c(Br)ccc(Cl)c2C1 ZINC000575192782 652068193 /nfs/dbraw/zinc/06/81/93/652068193.db2.gz NAWHPYHUUTYRLX-GFCCVEGCSA-N 1 0 391.737 2.400 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)sc1C(F)(F)F ZINC000575398140 652070927 /nfs/dbraw/zinc/07/09/27/652070927.db2.gz 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COC1CCN(S(=O)(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000657006188 652084753 /nfs/dbraw/zinc/08/47/53/652084753.db2.gz KKDKXGAVQLQTFN-UHFFFAOYSA-N 1 0 375.579 2.174 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000576000559 652089848 /nfs/dbraw/zinc/08/98/48/652089848.db2.gz DXXHKUWTBIAZEV-UHFFFAOYSA-N 1 0 387.933 2.229 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000746052983 652094602 /nfs/dbraw/zinc/09/46/02/652094602.db2.gz BRSIFNYGPHFEJK-AWEZNQCLSA-N 1 0 382.917 2.340 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000657072478 652102906 /nfs/dbraw/zinc/10/29/06/652102906.db2.gz ZHWSDTIQTYZRSG-ZDUSSCGKSA-N 1 0 381.464 2.256 20 0 GEADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000576313239 652105864 /nfs/dbraw/zinc/10/58/64/652105864.db2.gz FIWYPIZDHFKNJT-KGLIPLIRSA-N 1 0 394.269 2.278 20 0 GEADRO Cc1cc(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)sc1C ZINC000657085134 652107852 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C[C@@H](CCNS(=O)(=O)c1cc(Br)cc2c1OCC2)[NH+](C)C ZINC000657092248 652111862 /nfs/dbraw/zinc/11/18/62/652111862.db2.gz RKTMJXQJXRYRDA-JTQLQIEISA-N 1 0 377.304 2.003 20 0 GEADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)nc2)CC1 ZINC000746512928 652111974 /nfs/dbraw/zinc/11/19/74/652111974.db2.gz IGOTVGCOUVTMCO-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000657092767 652112009 /nfs/dbraw/zinc/11/20/09/652112009.db2.gz MTJJFRLWSSCMAM-UHFFFAOYSA-N 1 0 399.891 2.103 20 0 GEADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000576487626 652121875 /nfs/dbraw/zinc/12/18/75/652121875.db2.gz TTWRBIIHHNRHEJ-AWEZNQCLSA-N 1 0 382.917 2.335 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000576492747 652122191 /nfs/dbraw/zinc/12/21/91/652122191.db2.gz CXMCEYWRMFJZBJ-AWEZNQCLSA-N 1 0 376.270 2.309 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C(F)(F)F)n1 ZINC000746829390 652125651 /nfs/dbraw/zinc/12/56/51/652125651.db2.gz MTKDCMUACOYZDI-TYNCELHUSA-N 1 0 377.432 2.335 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000746870823 652127041 /nfs/dbraw/zinc/12/70/41/652127041.db2.gz FLLONEFELOUDPS-UHFFFAOYSA-N 1 0 385.965 2.154 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000576587583 652130478 /nfs/dbraw/zinc/13/04/78/652130478.db2.gz LXSUWHVTLCZMGU-CABCVRRESA-N 1 0 397.317 2.001 20 0 GEADRO COCC1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000576631594 652133128 /nfs/dbraw/zinc/13/31/28/652133128.db2.gz YQWMLJNTQCAWIV-HNNXBMFYSA-N 1 0 388.302 2.222 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)c[nH]c1=O)Cc1ccccc1 ZINC000621261649 652138896 /nfs/dbraw/zinc/13/88/96/652138896.db2.gz YISXLRYXSKVJOO-CQSZACIVSA-N 1 0 378.270 2.452 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000621276568 652141559 /nfs/dbraw/zinc/14/15/59/652141559.db2.gz LUABPPZBZBPXHW-MRXNPFEDSA-N 1 0 375.485 2.019 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621286338 652141917 /nfs/dbraw/zinc/14/19/17/652141917.db2.gz GPUCFHAKXJJESX-LBPRGKRZSA-N 1 0 399.285 2.264 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621286917 652141950 /nfs/dbraw/zinc/14/19/50/652141950.db2.gz WOGVVIHNILKIPL-JKSUJKDBSA-N 1 0 377.913 2.142 20 0 GEADRO C[NH2+][C@H](C)Cc1noc([C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000576754628 652142571 /nfs/dbraw/zinc/14/25/71/652142571.db2.gz VSVNSXHUFAPVNI-RKDXNWHRSA-N 1 0 393.241 2.340 20 0 GEADRO O=C(Nc1cc(C(=O)NC[C@H]2C[NH2+]CCO2)ccc1Cl)c1cccs1 ZINC000576935040 652155712 /nfs/dbraw/zinc/15/57/12/652155712.db2.gz IQHNCLTXXHVBCD-GFCCVEGCSA-N 1 0 379.869 2.372 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621554174 652161378 /nfs/dbraw/zinc/16/13/78/652161378.db2.gz ZBDBTNQCXAPWRC-CQSZACIVSA-N 1 0 394.260 2.153 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621554173 652161432 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O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CCc2cc(Br)ccc21 ZINC000577222730 652170979 /nfs/dbraw/zinc/17/09/79/652170979.db2.gz PQFGLDLSIJICGD-RDJZCZTQSA-N 1 0 381.314 2.442 20 0 GEADRO COc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1OC ZINC000657564562 652173929 /nfs/dbraw/zinc/17/39/29/652173929.db2.gz WIMKJIBSHIKBHJ-UHFFFAOYSA-N 1 0 394.269 2.381 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1Br ZINC000622013414 652174350 /nfs/dbraw/zinc/17/43/50/652174350.db2.gz PCSGBJDBIKVDBR-ABAIWWIYSA-N 1 0 389.315 2.350 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622014999 652175138 /nfs/dbraw/zinc/17/51/38/652175138.db2.gz ODPYGWNXJOFAPT-XHDPSFHLSA-N 1 0 388.331 2.017 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000577274272 652175369 /nfs/dbraw/zinc/17/53/69/652175369.db2.gz WAQINUKZSISOJQ-CQSZACIVSA-N 1 0 394.313 2.137 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)Cc1cc(F)ccc1Br)C2 ZINC000622015257 652175577 /nfs/dbraw/zinc/17/55/77/652175577.db2.gz SVEWANZHYKXTRR-RISCZKNCSA-N 1 0 377.279 2.231 20 0 GEADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c(F)cc1Br ZINC000622015127 652175717 /nfs/dbraw/zinc/17/57/17/652175717.db2.gz QUEIPBJANGEICI-IINYFYTJSA-N 1 0 377.279 2.399 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622026800 652177348 /nfs/dbraw/zinc/17/73/48/652177348.db2.gz RQXQRXNZDUNLFZ-RDTXWAMCSA-N 1 0 394.313 2.137 20 0 GEADRO COc1cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc(Br)c1O ZINC000657635570 652182967 /nfs/dbraw/zinc/18/29/67/652182967.db2.gz UVNWAILOMHOSPR-ONGXEEELSA-N 1 0 378.288 2.219 20 0 GEADRO CC(C)(C)OCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000657638808 652183688 /nfs/dbraw/zinc/18/36/88/652183688.db2.gz RCYJXBGEWONCLI-UHFFFAOYSA-N 1 0 379.320 2.391 20 0 GEADRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000577381884 652183867 /nfs/dbraw/zinc/18/38/67/652183867.db2.gz QIMKPZWMCUHMOZ-CQSZACIVSA-N 1 0 376.238 2.226 20 0 GEADRO [NH3+]CCc1nc(C(=O)N2CCOc3ccc(Br)cc3C2)cs1 ZINC000577396889 652184986 /nfs/dbraw/zinc/18/49/86/652184986.db2.gz NAFGTPHXEGAXPT-UHFFFAOYSA-N 1 0 382.283 2.442 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000657651185 652185776 /nfs/dbraw/zinc/18/57/76/652185776.db2.gz UJBMPMDTVBCTSI-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000657649754 652185801 /nfs/dbraw/zinc/18/58/01/652185801.db2.gz VXPPHAHUTIHYKY-UHFFFAOYSA-N 1 0 393.285 2.394 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000657651468 652186021 /nfs/dbraw/zinc/18/60/21/652186021.db2.gz DJVFZWULPLIZJZ-SECBINFHSA-N 1 0 386.265 2.434 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)N2CCC23CC[NH+](C)CC3)C(F)(F)F)n1 ZINC000747978527 652187085 /nfs/dbraw/zinc/18/70/85/652187085.db2.gz PCPCXZNREGOUAF-HNNXBMFYSA-N 1 0 377.432 2.288 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Cl)cc1F ZINC000577492712 652192442 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C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000577632408 652203542 /nfs/dbraw/zinc/20/35/42/652203542.db2.gz KGWHKBVTTJOEPY-RVBZMBCESA-N 1 0 387.267 2.050 20 0 GEADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCCSCC2)s1)N1CCOCC1 ZINC000657834490 652209318 /nfs/dbraw/zinc/20/93/18/652209318.db2.gz KJCDRCVIAYWHDI-ZDUSSCGKSA-N 1 0 376.569 2.144 20 0 GEADRO CC[NH+](CC)CCCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748691564 652212338 /nfs/dbraw/zinc/21/23/38/652212338.db2.gz SEPIKRGUUSAOBF-UHFFFAOYSA-N 1 0 387.933 2.196 20 0 GEADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577747145 652212457 /nfs/dbraw/zinc/21/24/57/652212457.db2.gz SJQKCOGWFHSLMQ-XHVZSJERSA-N 1 0 388.320 2.244 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C(F)(F)F)n1 ZINC000748843438 652220463 /nfs/dbraw/zinc/22/04/63/652220463.db2.gz DCCNIYQRRNUGIP-WFASDCNBSA-N 1 0 379.448 2.438 20 0 GEADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000577847441 652222100 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CCc1nnc(CNc2cc(NCc3nnc(CC)s3)[nH+]c(C)n2)s1 ZINC000577993641 652234397 /nfs/dbraw/zinc/23/43/97/652234397.db2.gz JZKLDQOMJNTGJS-UHFFFAOYSA-N 1 0 376.515 2.837 20 0 GEADRO CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658072438 652234920 /nfs/dbraw/zinc/23/49/20/652234920.db2.gz OAAWWHZGMOGDCZ-CWRNSKLLSA-N 1 0 390.933 2.340 20 0 GEADRO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658079483 652235192 /nfs/dbraw/zinc/23/51/92/652235192.db2.gz YMVCYVQFHRZREL-GFCCVEGCSA-N 1 0 377.503 2.095 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000578012160 652235426 /nfs/dbraw/zinc/23/54/26/652235426.db2.gz XEAAGIDJYGGWMY-RNCFNFMXSA-N 1 0 387.267 2.052 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000578013156 652236413 /nfs/dbraw/zinc/23/64/13/652236413.db2.gz FIPUWOLRGDASNR-OLZOCXBDSA-N 1 0 396.329 2.397 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1Br ZINC000658124237 652238215 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COCCOC1(C[NH2+]Cc2ncc(Br)cc2F)CCOCC1 ZINC000623535974 652245376 /nfs/dbraw/zinc/24/53/76/652245376.db2.gz JEBGVQLXAHQPFH-UHFFFAOYSA-N 1 0 377.254 2.285 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000578126519 652246008 /nfs/dbraw/zinc/24/60/08/652246008.db2.gz PHUNHPVNWXLGBM-OAHLLOKOSA-N 1 0 393.285 2.379 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658262008 652248019 /nfs/dbraw/zinc/24/80/19/652248019.db2.gz OAMOCLUIVPXGSC-NSHDSACASA-N 1 0 398.301 2.385 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000623633404 652250279 /nfs/dbraw/zinc/25/02/79/652250279.db2.gz NRFJISAUGYFXJD-AWEZNQCLSA-N 1 0 383.290 2.136 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623643978 652251095 /nfs/dbraw/zinc/25/10/95/652251095.db2.gz IWPAEVWZJXLVDW-SFHVURJKSA-N 1 0 391.313 2.315 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000578231534 652254659 /nfs/dbraw/zinc/25/46/59/652254659.db2.gz IKIWZCBZLFSDMP-RISCZKNCSA-N 1 0 383.286 2.397 20 0 GEADRO CCN(C(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@H]1CC[N@H+](C)C1 ZINC000658360246 652255530 /nfs/dbraw/zinc/25/55/30/652255530.db2.gz HOELWDGPGPFTQB-ZDUSSCGKSA-N 1 0 398.276 2.030 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000658366999 652257826 /nfs/dbraw/zinc/25/78/26/652257826.db2.gz VDJUNIWESFANFM-GFCCVEGCSA-N 1 0 377.304 2.220 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000658365984 652257947 /nfs/dbraw/zinc/25/79/47/652257947.db2.gz FUWMXWBMZXITSC-UHFFFAOYSA-N 1 0 379.295 2.349 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000658367000 652258019 /nfs/dbraw/zinc/25/80/19/652258019.db2.gz VDJUNIWESFANFM-LBPRGKRZSA-N 1 0 377.304 2.220 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000658374284 652259566 /nfs/dbraw/zinc/25/95/66/652259566.db2.gz MFCMFTJNFPQWGS-QMTHXVAHSA-N 1 0 377.279 2.102 20 0 GEADRO Cc1sc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Br ZINC000578315521 652261202 /nfs/dbraw/zinc/26/12/02/652261202.db2.gz VGDSDAOAHNOFHN-NSHDSACASA-N 1 0 388.331 2.279 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(Br)c1 ZINC000578315842 652261522 /nfs/dbraw/zinc/26/15/22/652261522.db2.gz CPLIOKPXMLIQKJ-ZDUSSCGKSA-N 1 0 384.299 2.093 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000623823726 652263087 /nfs/dbraw/zinc/26/30/87/652263087.db2.gz HWOGLSRYYJXGTQ-JMSVASOKSA-N 1 0 385.302 2.477 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1Cl ZINC000658383366 652263075 /nfs/dbraw/zinc/26/30/75/652263075.db2.gz GRIQSMYUQIHRPS-VMGRFDJRSA-N 1 0 388.917 2.398 20 0 GEADRO O=C(CC[NH+]1CCC(N2CCCS2(=O)=O)CC1)Nc1cccc(Cl)c1 ZINC000578324915 652263181 /nfs/dbraw/zinc/26/31/81/652263181.db2.gz MWOBSLJSPQHLKG-UHFFFAOYSA-N 1 0 385.917 2.169 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1Cl ZINC000658397376 652265114 /nfs/dbraw/zinc/26/51/14/652265114.db2.gz OQYPWQKTBVWXRS-UHFFFAOYSA-N 1 0 395.706 2.223 20 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C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000579201614 652324149 /nfs/dbraw/zinc/32/41/49/652324149.db2.gz XCYMNQACIWJWPN-FRRDWIJNSA-N 1 0 380.286 2.140 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000751107786 652324132 /nfs/dbraw/zinc/32/41/32/652324132.db2.gz HZISITXSLXGJLU-GFCCVEGCSA-N 1 0 391.921 2.166 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1csc(C(F)(F)F)c1 ZINC000625083939 652325518 /nfs/dbraw/zinc/32/55/18/652325518.db2.gz MWGZWNVABWJJAC-LBPRGKRZSA-N 1 0 377.432 2.439 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000579216508 652325541 /nfs/dbraw/zinc/32/55/41/652325541.db2.gz ZTFQOEFWGKSDQG-GOEBONIOSA-N 1 0 395.345 2.275 20 0 GEADRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625160320 652327242 /nfs/dbraw/zinc/32/72/42/652327242.db2.gz JTAXNUUJYSSVRQ-SWLSCSKDSA-N 1 0 380.286 2.160 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC000658913082 652331113 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GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659078941 652340558 /nfs/dbraw/zinc/34/05/58/652340558.db2.gz WHSDNFNIIPMQDV-IUCAKERBSA-N 1 0 390.228 2.252 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)CCC[NH2+]C1 ZINC000659083511 652341595 /nfs/dbraw/zinc/34/15/95/652341595.db2.gz ZBUAERRFQYGRKG-OAHLLOKOSA-N 1 0 390.228 2.172 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000659085700 652341922 /nfs/dbraw/zinc/34/19/22/652341922.db2.gz MULKVRZUNVVLCQ-SECBINFHSA-N 1 0 376.682 2.464 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000659085502 652342097 /nfs/dbraw/zinc/34/20/97/652342097.db2.gz KIMBSKTWUAITPV-JOYOIKCWSA-N 1 0 388.693 2.464 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659087392 652342484 /nfs/dbraw/zinc/34/24/84/652342484.db2.gz LGYPWPFZVCKOEH-UHFFFAOYSA-N 1 0 388.212 2.092 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCCC1 ZINC000659097641 652343437 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/nfs/dbraw/zinc/43/73/08/652437308.db2.gz LROARWRWJQBVLM-BCUIYNNISA-N 1 0 382.291 2.365 20 0 GEADRO O=C(CNC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)N1CC[NH2+]CC1 ZINC000582171415 652438435 /nfs/dbraw/zinc/43/84/35/652438435.db2.gz UBRRKOKGACCCSX-HNNXBMFYSA-N 1 0 385.295 2.272 20 0 GEADRO C[C@@H](CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1)n1cc(Br)cn1 ZINC000627742257 652439279 /nfs/dbraw/zinc/43/92/79/652439279.db2.gz OIJWKHITSPFOGN-AWEZNQCLSA-N 1 0 399.333 2.310 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1Br ZINC000627907046 652441975 /nfs/dbraw/zinc/44/19/75/652441975.db2.gz MVQJINSKKGYVQE-ZDUSSCGKSA-N 1 0 395.301 2.224 20 0 GEADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000582241022 652442005 /nfs/dbraw/zinc/44/20/05/652442005.db2.gz XOOQHJAGHLXCGB-UHFFFAOYSA-N 1 0 376.906 2.367 20 0 GEADRO CC(C)CN(C(=O)C[NH2+][C@H](C)C1CCC(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000662005001 652444542 /nfs/dbraw/zinc/44/45/42/652444542.db2.gz HRJCXGDFFUQOPM-VXLLPVPCSA-N 1 0 376.538 2.165 20 0 GEADRO CC(C)CN(C(=O)C[NH2+][C@@H](C)C1CCC(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000662004999 652444628 /nfs/dbraw/zinc/44/46/28/652444628.db2.gz HRJCXGDFFUQOPM-OTBWCIGPSA-N 1 0 376.538 2.165 20 0 GEADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582359888 652447589 /nfs/dbraw/zinc/44/75/89/652447589.db2.gz OPGJXSBCRHQPFF-YUMQZZPRSA-N 1 0 385.736 2.394 20 0 GEADRO C[NH+](C)CCCNC(=S)N(CCO)Cc1cc(Br)cs1 ZINC000754831316 652449010 /nfs/dbraw/zinc/44/90/10/652449010.db2.gz ZUQWPRGXNVQHGT-UHFFFAOYSA-N 1 0 380.377 2.131 20 0 GEADRO O=C(CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1ccc(Br)cc1 ZINC000662153701 652449167 /nfs/dbraw/zinc/44/91/67/652449167.db2.gz SPVPTXSUCTZWRS-KRWDZBQOSA-N 1 0 396.329 2.309 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662158855 652449485 /nfs/dbraw/zinc/44/94/85/652449485.db2.gz VHNFGRZKFXOHJG-DYVFJYSZSA-N 1 0 396.329 2.307 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662158861 652449552 /nfs/dbraw/zinc/44/95/52/652449552.db2.gz VHNFGRZKFXOHJG-SUMWQHHRSA-N 1 0 396.329 2.307 20 0 GEADRO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662161446 652449987 /nfs/dbraw/zinc/44/99/87/652449987.db2.gz UPZNLCITDFPIEJ-HZPDHXFCSA-N 1 0 389.323 2.264 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2scnc2Br)CC1 ZINC000754961851 652453054 /nfs/dbraw/zinc/45/30/54/652453054.db2.gz SAJUGMVDMOFWGC-UHFFFAOYSA-N 1 0 390.303 2.051 20 0 GEADRO O=C(c1ccc(Br)c(F)c1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000628146553 652453257 /nfs/dbraw/zinc/45/32/57/652453257.db2.gz RARZKOVJZYTVFU-NSHDSACASA-N 1 0 389.240 2.399 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662251124 652454423 /nfs/dbraw/zinc/45/44/23/652454423.db2.gz ZKTBXOSNRGNBIP-CYBMUJFWSA-N 1 0 384.307 2.272 20 0 GEADRO C[C@@]1(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)CCCS1 ZINC000628202286 652454727 /nfs/dbraw/zinc/45/47/27/652454727.db2.gz NRIFESLHOITLHK-SFHVURJKSA-N 1 0 384.567 2.224 20 0 GEADRO CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H](C[NH3+])C(F)(F)F ZINC000662331301 652456032 /nfs/dbraw/zinc/45/60/32/652456032.db2.gz NAHLNGDLXMSPKW-ZDUSSCGKSA-N 1 0 377.388 2.067 20 0 GEADRO O=C(NC[C@@H](n1cccn1)C(F)(F)F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000628330326 652457679 /nfs/dbraw/zinc/45/76/79/652457679.db2.gz YOXHBMBNMFDKAC-UONOGXRCSA-N 1 0 376.448 2.320 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@H]3CC[NH2+]C3)nc12 ZINC000582655241 652457884 /nfs/dbraw/zinc/45/78/84/652457884.db2.gz BGDNJLCIGZDKIO-CYBMUJFWSA-N 1 0 394.317 2.247 20 0 GEADRO CN1C(=O)C[C@@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755129877 652458083 /nfs/dbraw/zinc/45/80/83/652458083.db2.gz ARBLFTSDEIEHHB-ZBFHGGJFSA-N 1 0 376.881 2.165 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000662384810 652458403 /nfs/dbraw/zinc/45/84/03/652458403.db2.gz XEJVEMGAGPUEKB-HNNXBMFYSA-N 1 0 388.295 2.030 20 0 GEADRO COc1ccc(Br)c(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)c1 ZINC000662392327 652459102 /nfs/dbraw/zinc/45/91/02/652459102.db2.gz ROLGTDNOHUDJOP-SNVBAGLBSA-N 1 0 379.258 2.188 20 0 GEADRO O=C(NCc1cc(F)ccc1Br)c1cnnn1C1CC[NH2+]CC1 ZINC000662395105 652459151 /nfs/dbraw/zinc/45/91/51/652459151.db2.gz QDIGZMHDPJMBJI-UHFFFAOYSA-N 1 0 382.237 2.034 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2c(Cl)cccc2Br)C1 ZINC000662405908 652459414 /nfs/dbraw/zinc/45/94/14/652459414.db2.gz RYROTEVCVNFUCU-JTQLQIEISA-N 1 0 388.693 2.030 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662408424 652459854 /nfs/dbraw/zinc/45/98/54/652459854.db2.gz RTERHTXTXYQKOT-UHFFFAOYSA-N 1 0 384.303 2.299 20 0 GEADRO COc1ccc(CC[NH2+]Cc2ncc(C(C)(C)C)s2)cc1S(N)(=O)=O ZINC000582705931 652459899 /nfs/dbraw/zinc/45/98/99/652459899.db2.gz JWGFJKFRBKSURG-UHFFFAOYSA-N 1 0 383.539 2.429 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)NC1(Cc2ccccc2Br)CC1 ZINC000582775451 652462388 /nfs/dbraw/zinc/46/23/88/652462388.db2.gz NGHYDVUBQZXTIN-AWEZNQCLSA-N 1 0 382.302 2.202 20 0 GEADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cnnn1C1CC[NH2+]CC1 ZINC000662478965 652463141 /nfs/dbraw/zinc/46/31/41/652463141.db2.gz JSSJZTUEKYPXQW-GFCCVEGCSA-N 1 0 382.251 2.373 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c[nH]c3nccnc23)s1 ZINC000582827692 652463295 /nfs/dbraw/zinc/46/32/95/652463295.db2.gz DNONDHGOXMPNNT-UHFFFAOYSA-N 1 0 379.511 2.291 20 0 GEADRO C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000662482057 652463674 /nfs/dbraw/zinc/46/36/74/652463674.db2.gz RRMHEQJRCSYANH-VXGBXAGGSA-N 1 0 393.285 2.446 20 0 GEADRO COc1cc(NC(=O)c2cnnn2C2CC[NH2+]CC2)ccc1Br ZINC000662485723 652463748 /nfs/dbraw/zinc/46/37/48/652463748.db2.gz IUSYSGPORRSLGR-UHFFFAOYSA-N 1 0 380.246 2.226 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2sc3c(c2Br)CNC3)CCSC1 ZINC000662489205 652464141 /nfs/dbraw/zinc/46/41/41/652464141.db2.gz KGIVMBNMXCVOHY-AWEZNQCLSA-N 1 0 390.372 2.281 20 0 GEADRO C[NH+](C)CCCOC1CCN(C(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662490869 652464216 /nfs/dbraw/zinc/46/42/16/652464216.db2.gz LWICBLUFQZSKMG-QGZVFWFLSA-N 1 0 398.345 2.408 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cnc(C)n2C)cc1Br ZINC000582856778 652464312 /nfs/dbraw/zinc/46/43/12/652464312.db2.gz FTSCPLJFFQHJKP-AWEZNQCLSA-N 1 0 382.302 2.440 20 0 GEADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1ccc2ccccc2c1Br ZINC000582899596 652466079 /nfs/dbraw/zinc/46/60/79/652466079.db2.gz IIRIVAHDAROFHJ-ZDUSSCGKSA-N 1 0 399.310 2.259 20 0 GEADRO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCOc2ccc(Br)cc2C1 ZINC000662545649 652467206 /nfs/dbraw/zinc/46/72/06/652467206.db2.gz PWHSMNWBNCFGRJ-NSHDSACASA-N 1 0 391.269 2.284 20 0 GEADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000582959931 652468723 /nfs/dbraw/zinc/46/87/23/652468723.db2.gz UJERSGMWGVSBLD-HNNXBMFYSA-N 1 0 375.918 2.193 20 0 GEADRO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCOc2cccc(Br)c2C1 ZINC000662584244 652468775 /nfs/dbraw/zinc/46/87/75/652468775.db2.gz MTLMMBVPZNXQND-NSHDSACASA-N 1 0 391.269 2.284 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@H]1C[NH3+] ZINC000662581814 652468884 /nfs/dbraw/zinc/46/88/84/652468884.db2.gz KAWBIYYOOQMGKG-RHSMWYFYSA-N 1 0 396.329 2.485 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000662610383 652469306 /nfs/dbraw/zinc/46/93/06/652469306.db2.gz YZLVJESJXOIYCS-UHFFFAOYSA-N 1 0 381.523 2.036 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662622713 652469698 /nfs/dbraw/zinc/46/96/98/652469698.db2.gz DNVKITVRLCQLIK-IUODEOHRSA-N 1 0 375.778 2.104 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662622716 652469713 /nfs/dbraw/zinc/46/97/13/652469713.db2.gz DNVKITVRLCQLIK-SWLSCSKDSA-N 1 0 375.778 2.104 20 0 GEADRO CN[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000662716628 652471162 /nfs/dbraw/zinc/47/11/62/652471162.db2.gz GRHJXGMDRHEBQN-ZOBUZTSGSA-N 1 0 386.323 2.312 20 0 GEADRO Cc1c(C(=O)NCC23CC(C2)C[NH2+]3)cnn1-c1ccc(Br)cc1 ZINC000662722923 652471739 /nfs/dbraw/zinc/47/17/39/652471739.db2.gz TYZSMAOGDKPIRO-UHFFFAOYSA-N 1 0 375.270 2.425 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662765099 652473605 /nfs/dbraw/zinc/47/36/05/652473605.db2.gz DEURJTGNKWMOQC-HLLBOEOZSA-N 1 0 380.286 2.134 20 0 GEADRO COCC1(CNC(=O)c2nn(C(C)(C)C)cc2Br)CC[NH2+]CC1 ZINC000662775213 652474025 /nfs/dbraw/zinc/47/40/25/652474025.db2.gz BCGCXSRRRQIOKV-UHFFFAOYSA-N 1 0 387.322 2.147 20 0 GEADRO COC[C@@](C)(O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000583140182 652474068 /nfs/dbraw/zinc/47/40/68/652474068.db2.gz QZMPLGIYYDEEQW-DOMZBBRYSA-N 1 0 396.709 2.219 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662779511 652474144 /nfs/dbraw/zinc/47/41/44/652474144.db2.gz NUNXHPBLJSFGQM-FWYOQMDTSA-N 1 0 380.286 2.132 20 0 GEADRO C[N@H+](Cn1nc(Br)c(=O)c2ccccc21)[C@H]1CCN(C2CC2)C1 ZINC000755743257 652474593 /nfs/dbraw/zinc/47/45/93/652474593.db2.gz MRYAQGVXIYNQOY-ZDUSSCGKSA-N 1 0 377.286 2.285 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@H]1C[NH3+] ZINC000662814611 652475485 /nfs/dbraw/zinc/47/54/85/652475485.db2.gz QLJWHHFBIUETDF-CUBALJKWSA-N 1 0 382.302 2.365 20 0 GEADRO Cc1c(C[NH3+])c(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)nn1C ZINC000662838206 652476227 /nfs/dbraw/zinc/47/62/27/652476227.db2.gz KHVZYNPBENFOKY-VIFPVBQESA-N 1 0 385.237 2.495 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000628967856 652476302 /nfs/dbraw/zinc/47/63/02/652476302.db2.gz SKGHORYMXKSFBS-INIZCTEOSA-N 1 0 394.313 2.312 20 0 GEADRO [NH3+]C1(CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)CCCC1 ZINC000662864432 652476629 /nfs/dbraw/zinc/47/66/29/652476629.db2.gz CREIAWUZSROTFR-UHFFFAOYSA-N 1 0 383.290 2.348 20 0 GEADRO Cn1cc(C[C@H](O)C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000628969169 652476712 /nfs/dbraw/zinc/47/67/12/652476712.db2.gz OVIYZEUQUATBQZ-CVEARBPZSA-N 1 0 385.295 2.049 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662924613 652478600 /nfs/dbraw/zinc/47/86/00/652478600.db2.gz DKFSPLHLXDVDAW-UHFFFAOYSA-N 1 0 394.313 2.136 20 0 GEADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCOc2cc(Br)ccc2C1 ZINC000662940581 652479023 /nfs/dbraw/zinc/47/90/23/652479023.db2.gz XACORSRMBHKBAG-GFCCVEGCSA-N 1 0 375.213 2.415 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000662941418 652479427 /nfs/dbraw/zinc/47/94/27/652479427.db2.gz PHCIWFFLWUTZSB-NSHDSACASA-N 1 0 390.311 2.415 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000583274450 652479692 /nfs/dbraw/zinc/47/96/92/652479692.db2.gz CEJZTJWHTJVKGL-HNNXBMFYSA-N 1 0 395.301 2.171 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC1 ZINC000662969551 652479968 /nfs/dbraw/zinc/47/99/68/652479968.db2.gz SGKARXVAUPXWGF-NSHDSACASA-N 1 0 384.307 2.464 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)C2 ZINC000662989972 652480569 /nfs/dbraw/zinc/48/05/69/652480569.db2.gz BLDCTJINXATPNT-KZULUSFZSA-N 1 0 394.313 2.043 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)C2 ZINC000662993062 652480940 /nfs/dbraw/zinc/48/09/40/652480940.db2.gz LHZQNSNNFVZJSW-GFCCVEGCSA-N 1 0 394.313 2.186 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000583311831 652480948 /nfs/dbraw/zinc/48/09/48/652480948.db2.gz YELASXFBHLNRHD-CJNGLKHVSA-N 1 0 383.334 2.055 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)cc(Cl)c1 ZINC000755948861 652481905 /nfs/dbraw/zinc/48/19/05/652481905.db2.gz NRIJWQXYBSJZKS-HNNXBMFYSA-N 1 0 376.881 2.401 20 0 GEADRO C[C@@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccc(Br)s1 ZINC000583376283 652482383 /nfs/dbraw/zinc/48/23/83/652482383.db2.gz HDAUFDCKBBQIRG-ADEWGFFLSA-N 1 0 398.330 2.441 20 0 GEADRO CC(C)OC(=O)[C@@H](C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000583376523 652482391 /nfs/dbraw/zinc/48/23/91/652482391.db2.gz RLIBEJZPIVWXSL-LBPRGKRZSA-N 1 0 392.315 2.400 20 0 GEADRO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Br)n1 ZINC000756018023 652484897 /nfs/dbraw/zinc/48/48/97/652484897.db2.gz REXOXSUHVQMTQW-VHDGCEQUSA-N 1 0 382.302 2.476 20 0 GEADRO O=C1C[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000663220583 652485775 /nfs/dbraw/zinc/48/57/75/652485775.db2.gz ITUMJJCYIDSZTK-HUBLWGQQSA-N 1 0 379.254 2.049 20 0 GEADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000756081153 652486965 /nfs/dbraw/zinc/48/69/65/652486965.db2.gz PZAUDWISNMFMQY-OAHLLOKOSA-N 1 0 379.302 2.446 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000583564464 652490040 /nfs/dbraw/zinc/49/00/40/652490040.db2.gz RSRJJWONNNZVHU-VHSXEESVSA-N 1 0 379.258 2.178 20 0 GEADRO O=S1(=O)CCCC[C@@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000583626746 652492159 /nfs/dbraw/zinc/49/21/59/652492159.db2.gz ICVXXOZQWLVVHB-NWDGAFQWSA-N 1 0 382.309 2.290 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)Cc1cccc(Br)c1 ZINC000663308397 652492767 /nfs/dbraw/zinc/49/27/67/652492767.db2.gz BCCDKMMQYPLZIC-JTQLQIEISA-N 1 0 375.210 2.100 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000583646271 652492769 /nfs/dbraw/zinc/49/27/69/652492769.db2.gz OSVVPWZQJNRIPY-CQSZACIVSA-N 1 0 396.329 2.051 20 0 GEADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000583692922 652494567 /nfs/dbraw/zinc/49/45/67/652494567.db2.gz OAIGWVLKYSBGQO-GZMMTYOYSA-N 1 0 380.222 2.225 20 0 GEADRO O[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1ccc(Br)cc1 ZINC000663363345 652495090 /nfs/dbraw/zinc/49/50/90/652495090.db2.gz JTDJVMAGNJFMAS-IRXDYDNUSA-N 1 0 399.329 2.032 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000629822492 652495518 /nfs/dbraw/zinc/49/55/18/652495518.db2.gz QKZFVPRUTMLPJD-ZFWWWQNUSA-N 1 0 396.329 2.221 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)CN1CCOCC1 ZINC000663369830 652495918 /nfs/dbraw/zinc/49/59/18/652495918.db2.gz JAXHFBLPYOPOBB-FUHWJXTLSA-N 1 0 383.330 2.499 20 0 GEADRO Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c(Br)n1 ZINC000756423968 652498436 /nfs/dbraw/zinc/49/84/36/652498436.db2.gz OMNHUMAFNNLLJX-UHFFFAOYSA-N 1 0 396.285 2.052 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000629985013 652500580 /nfs/dbraw/zinc/50/05/80/652500580.db2.gz MEIUPGARRZUOAM-ZDRJDWQYSA-N 1 0 381.314 2.154 20 0 GEADRO O=C(c1cc(Br)sc1Br)N1CCOC2(C[NH2+]C2)C1 ZINC000663488752 652501783 /nfs/dbraw/zinc/50/17/83/652501783.db2.gz XZHNNUNEGLCNRG-UHFFFAOYSA-N 1 0 396.104 2.088 20 0 GEADRO O=C(CCc1nc2cc(Br)ccc2s1)N1CCOC2(C[NH2+]C2)C1 ZINC000663487836 652501829 /nfs/dbraw/zinc/50/18/29/652501829.db2.gz LUXFQHSVPDXNCL-UHFFFAOYSA-N 1 0 396.310 2.192 20 0 GEADRO Cc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)c2cc(Br)ccc2n1 ZINC000663487744 652501848 /nfs/dbraw/zinc/50/18/48/652501848.db2.gz IXQINTBUTYHZRO-UHFFFAOYSA-N 1 0 376.254 2.120 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)c[nH]c2=O)CC[C@@H]1C(F)(F)F ZINC000630092615 652502154 /nfs/dbraw/zinc/50/21/54/652502154.db2.gz RMCFBCPSGIAEJO-XVKPBYJWSA-N 1 0 382.180 2.149 20 0 GEADRO Cc1c(NCC[C@H](O)C(F)(F)F)ncnc1NCC[C@H](O)C(F)(F)F ZINC000663591561 652504930 /nfs/dbraw/zinc/50/49/30/652504930.db2.gz CWXVXHJDLBXJSF-IUCAKERBSA-N 1 0 376.301 2.235 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663604910 652505783 /nfs/dbraw/zinc/50/57/83/652505783.db2.gz OUJGBPRSRRRVJM-DTWKUNHWSA-N 1 0 379.766 2.386 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663605322 652506141 /nfs/dbraw/zinc/50/61/41/652506141.db2.gz SFHHHOONCWQPLV-IUCAKERBSA-N 1 0 379.766 2.373 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663605295 652506231 /nfs/dbraw/zinc/50/62/31/652506231.db2.gz RWJYZNGOVVTJPX-KWQFWETISA-N 1 0 379.766 2.291 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663606427 652506391 /nfs/dbraw/zinc/50/63/91/652506391.db2.gz QSFGFGNGPBPFCT-UHFFFAOYSA-N 1 0 377.750 2.045 20 0 GEADRO C[C@@]1(NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[NH2+]C1 ZINC000663610285 652506409 /nfs/dbraw/zinc/50/64/09/652506409.db2.gz HVCVGLAGRZPYBG-CYBMUJFWSA-N 1 0 378.629 2.048 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000584064426 652507842 /nfs/dbraw/zinc/50/78/42/652507842.db2.gz AVEAKROEMMWLKK-RKDXNWHRSA-N 1 0 381.267 2.097 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1Br ZINC000584220184 652513843 /nfs/dbraw/zinc/51/38/43/652513843.db2.gz RYSNYGVGBQPJPM-OLZOCXBDSA-N 1 0 380.286 2.357 20 0 GEADRO O=C1[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C[C@H]2CCCCN12 ZINC000584274236 652514662 /nfs/dbraw/zinc/51/46/62/652514662.db2.gz GPQNTYRIVQCYSW-TZMCWYRMSA-N 1 0 381.270 2.463 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000584286065 652514853 /nfs/dbraw/zinc/51/48/53/652514853.db2.gz ZZNNDOQCBZJLDL-MRXNPFEDSA-N 1 0 390.281 2.174 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000663886429 652514966 /nfs/dbraw/zinc/51/49/66/652514966.db2.gz RVWYTTNQOQTQHZ-GFCCVEGCSA-N 1 0 385.306 2.335 20 0 GEADRO C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000584286990 652515273 /nfs/dbraw/zinc/51/52/73/652515273.db2.gz QIPLPTSTPMKFHX-NHYWBVRUSA-N 1 0 386.265 2.282 20 0 GEADRO CSC1(CNC(=O)C[C@H](c2nccn2C)C(F)(F)F)CC[NH+](C)CC1 ZINC000584300970 652515726 /nfs/dbraw/zinc/51/57/26/652515726.db2.gz GGAPJSBIWYMERI-GFCCVEGCSA-N 1 0 378.464 2.400 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)NCC(C)(C)c2cccc(Br)c2)C[C@@H]1O ZINC000663915926 652516541 /nfs/dbraw/zinc/51/65/41/652516541.db2.gz QJQRVGVMHZSGGS-GJZGRUSLSA-N 1 0 384.318 2.043 20 0 GEADRO CC(C)n1nccc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000584331726 652516608 /nfs/dbraw/zinc/51/66/08/652516608.db2.gz XIKGICXTVAKUNS-UHFFFAOYSA-N 1 0 380.290 3.070 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)cc1F ZINC000584330125 652516768 /nfs/dbraw/zinc/51/67/68/652516768.db2.gz SBDFBAQSGZUQHG-WQVCFCJDSA-N 1 0 388.892 2.305 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000663922245 652516862 /nfs/dbraw/zinc/51/68/62/652516862.db2.gz VVABIHQGPGLNHT-UHFFFAOYSA-N 1 0 397.317 2.289 20 0 GEADRO Cc1nc(C)c(Br)c(NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000663935308 652517147 /nfs/dbraw/zinc/51/71/47/652517147.db2.gz DPFZOAREFXTDHX-UHFFFAOYSA-N 1 0 384.322 2.260 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCn1cc(Br)cn1 ZINC000584372689 652518684 /nfs/dbraw/zinc/51/86/84/652518684.db2.gz GWIHKVBIVJKUJN-ZIAGYGMSSA-N 1 0 386.338 2.407 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ncc(Br)cc1Cl ZINC000631114338 652520469 /nfs/dbraw/zinc/52/04/69/652520469.db2.gz BTLRKOFGVLMRHF-GXTWGEPZSA-N 1 0 379.682 2.408 20 0 GEADRO CC[C@@H](C)[NH+]1CCN(c2cccc(OC(F)(F)F)c2S(N)(=O)=O)CC1 ZINC000631293935 652521096 /nfs/dbraw/zinc/52/10/96/652521096.db2.gz FLLFULUZRKXFEZ-LLVKDONJSA-N 1 0 381.420 2.153 20 0 GEADRO NC(=O)c1ncc(Br)cc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000664153497 652521487 /nfs/dbraw/zinc/52/14/87/652521487.db2.gz USZHYBACADFRRO-UHFFFAOYSA-N 1 0 397.317 2.246 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cccc2c(Br)ccnc12 ZINC000584458047 652521686 /nfs/dbraw/zinc/52/16/86/652521686.db2.gz IZJXMNZPCIAYAO-NSHDSACASA-N 1 0 379.258 2.497 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)C1 ZINC000664184824 652522547 /nfs/dbraw/zinc/52/25/47/652522547.db2.gz WCRYKNWNIAIDDL-DOMZBBRYSA-N 1 0 390.311 2.389 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000631385230 652522760 /nfs/dbraw/zinc/52/27/60/652522760.db2.gz QSGGRQRXEJELED-UHFFFAOYSA-N 1 0 398.301 2.043 20 0 GEADRO O=C(c1c(F)cncc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000631384887 652522811 /nfs/dbraw/zinc/52/28/11/652522811.db2.gz KJNDMQJIZXYHAZ-UHFFFAOYSA-N 1 0 386.265 2.168 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000584578568 652523886 /nfs/dbraw/zinc/52/38/86/652523886.db2.gz MTRXCUALAFSFAO-UHFFFAOYSA-N 1 0 398.179 2.093 20 0 GEADRO CN(CCC[NH+](C)C)CCNc1c(Br)cccc1S(C)(=O)=O ZINC000664247819 652524006 /nfs/dbraw/zinc/52/40/06/652524006.db2.gz JDZVPJKPMLFTJX-UHFFFAOYSA-N 1 0 392.363 2.148 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000584583491 652524272 /nfs/dbraw/zinc/52/42/72/652524272.db2.gz WZIBFIMLCFWTTG-CYBMUJFWSA-N 1 0 377.913 2.319 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000584588988 652524506 /nfs/dbraw/zinc/52/45/06/652524506.db2.gz QGSPKAAPLVIXFT-LDYMZIIASA-N 1 0 389.091 2.431 20 0 GEADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ncsc1Br ZINC000584664150 652524893 /nfs/dbraw/zinc/52/48/93/652524893.db2.gz XZGHYAIMQRLGED-QWHCGFSZSA-N 1 0 396.310 2.271 20 0 GEADRO O=C(NC[C@@H]1CCCN(C(=O)NCc2ccc(Cl)s2)C1)[C@H]1CCC[NH2+]1 ZINC000584708522 652526502 /nfs/dbraw/zinc/52/65/02/652526502.db2.gz INPUTGNBSYNYFC-GXTWGEPZSA-N 1 0 384.933 2.191 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1C(F)F ZINC000584708369 652526577 /nfs/dbraw/zinc/52/65/77/652526577.db2.gz JAZAYILVAWJRIK-ZDUSSCGKSA-N 1 0 378.489 2.455 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000631567333 652527799 /nfs/dbraw/zinc/52/77/99/652527799.db2.gz FTSKSIRQKRSBLF-DOTOQJQBSA-N 1 0 381.314 2.300 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000631669861 652530938 /nfs/dbraw/zinc/53/09/38/652530938.db2.gz OPRZHXJADKESJV-GOSISDBHSA-N 1 0 385.961 2.348 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CCN(c3ccnc4cc(Br)cnc43)CC2)C1 ZINC000664599579 652531433 /nfs/dbraw/zinc/53/14/33/652531433.db2.gz OFRFPUHQOLSHDB-CQSZACIVSA-N 1 0 377.286 2.428 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000631709531 652532368 /nfs/dbraw/zinc/53/23/68/652532368.db2.gz MLAXCAAKIWORCN-LSDHHAIUSA-N 1 0 391.331 2.198 20 0 GEADRO Cc1ncc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)s1 ZINC000631711291 652532715 /nfs/dbraw/zinc/53/27/15/652532715.db2.gz ZZWDVWKFSHFUEO-SNVBAGLBSA-N 1 0 383.543 2.295 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000631713292 652532733 /nfs/dbraw/zinc/53/27/33/652532733.db2.gz ZFCBUHUSHNBAEY-CYBMUJFWSA-N 1 0 377.304 2.192 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccnc2I)C1 ZINC000758298488 652536458 /nfs/dbraw/zinc/53/64/58/652536458.db2.gz KTKRYIYVFDWOGW-LBPRGKRZSA-N 1 0 387.265 2.490 20 0 GEADRO O=S(=O)(CCN1CCC[C@@H]2C[NH2+]CC[C@H]21)c1cccc(Br)c1 ZINC000631887408 652537973 /nfs/dbraw/zinc/53/79/73/652537973.db2.gz NICOFGFWMPLJQV-CZUORRHYSA-N 1 0 387.343 2.297 20 0 GEADRO O=S(=O)(CCN1CCC[C@H]2C[NH2+]CC[C@@H]21)c1cccc(Br)c1 ZINC000631887406 652537987 /nfs/dbraw/zinc/53/79/87/652537987.db2.gz NICOFGFWMPLJQV-BBRMVZONSA-N 1 0 387.343 2.297 20 0 GEADRO O=c1cc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)nc2ccc(Br)cn12 ZINC000631885549 652537990 /nfs/dbraw/zinc/53/79/90/652537990.db2.gz BSIWBVVIHMBEKN-IUODEOHRSA-N 1 0 377.286 2.031 20 0 GEADRO C[C@@H](NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)cn1 ZINC000664791866 652539087 /nfs/dbraw/zinc/53/90/87/652539087.db2.gz KFIKZYSGTNUTIO-IUODEOHRSA-N 1 0 397.317 2.146 20 0 GEADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccc(Sc2ccccc2)cc1 ZINC000631928374 652541144 /nfs/dbraw/zinc/54/11/44/652541144.db2.gz ZAQLEGVKQYZAFU-MRXNPFEDSA-N 1 0 378.519 2.246 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000631938405 652542362 /nfs/dbraw/zinc/54/23/62/652542362.db2.gz CHHDBQHAAWNSCL-LLVKDONJSA-N 1 0 394.360 2.057 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000631943541 652543131 /nfs/dbraw/zinc/54/31/31/652543131.db2.gz YYZWWYMLBQDKBC-JQWIXIFHSA-N 1 0 394.360 2.199 20 0 GEADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000631941713 652543151 /nfs/dbraw/zinc/54/31/51/652543151.db2.gz FOJYWIMRPDSHLF-JTQLQIEISA-N 1 0 397.722 2.068 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000664949309 652543286 /nfs/dbraw/zinc/54/32/86/652543286.db2.gz HWZVSMZYYCJGDV-CYBMUJFWSA-N 1 0 386.949 2.440 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)Cc2ncsc2Br)C1 ZINC000631977734 652543831 /nfs/dbraw/zinc/54/38/31/652543831.db2.gz 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C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ncsc1Br ZINC000632337057 652558032 /nfs/dbraw/zinc/55/80/32/652558032.db2.gz TUAURIXOLIMTTQ-JQWIXIFHSA-N 1 0 394.360 2.294 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ncsc1Br ZINC000632337059 652558038 /nfs/dbraw/zinc/55/80/38/652558038.db2.gz TUAURIXOLIMTTQ-ZYHUDNBSSA-N 1 0 394.360 2.294 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000632368630 652559714 /nfs/dbraw/zinc/55/97/14/652559714.db2.gz IZVRXHOSWDTTLM-ZFWWWQNUSA-N 1 0 390.933 2.468 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000632368155 652559724 /nfs/dbraw/zinc/55/97/24/652559724.db2.gz CRZZDGIMQOWPRJ-GZBFAFLISA-N 1 0 390.933 2.467 20 0 GEADRO O=C(Nc1nnc(-c2ccsc2)s1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665833032 652560726 /nfs/dbraw/zinc/56/07/26/652560726.db2.gz QEICCFXTTBTNRL-CYBMUJFWSA-N 1 0 379.511 2.330 20 0 GEADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)Cc1ncsc1Br ZINC000632412790 652561375 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Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632639339 652571159 /nfs/dbraw/zinc/57/11/59/652571159.db2.gz VXZZDINYCAMTQC-UHFFFAOYSA-N 1 0 380.436 2.078 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c(I)c1 ZINC000590045844 652573540 /nfs/dbraw/zinc/57/35/40/652573540.db2.gz XXOVMJVTGHXLRF-IINYFYTJSA-N 1 0 386.233 2.076 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590109258 652574922 /nfs/dbraw/zinc/57/49/22/652574922.db2.gz IBUXKCCHVDVRSY-DLBZAZTESA-N 1 0 397.313 2.267 20 0 GEADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000590299164 652578751 /nfs/dbraw/zinc/57/87/51/652578751.db2.gz APFGXXHLFMBQBY-UHFFFAOYSA-N 1 0 390.571 2.189 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)NCc2c(Br)cnn2C)CC1 ZINC000632896589 652582809 /nfs/dbraw/zinc/58/28/09/652582809.db2.gz FPIFYKBKVWVZJF-UHFFFAOYSA-N 1 0 386.338 2.494 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000633043410 652583364 /nfs/dbraw/zinc/58/33/64/652583364.db2.gz IVUGJAJDBDYNEI-CHWSQXEVSA-N 1 0 384.322 2.104 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000666697572 652584366 /nfs/dbraw/zinc/58/43/66/652584366.db2.gz HUUGTLNUENRIDL-BXUZGUMPSA-N 1 0 383.290 2.238 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cn(C)cc(Br)c2=O)CC[N@@H+](C2CCC2)C1 ZINC000666697472 652584371 /nfs/dbraw/zinc/58/43/71/652584371.db2.gz DTHJRELVOZVTSJ-LBPRGKRZSA-N 1 0 397.317 2.486 20 0 GEADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000633070042 652584851 /nfs/dbraw/zinc/58/48/51/652584851.db2.gz TXCFKFIRLMYEDP-VGAPYMQISA-N 1 0 391.309 2.002 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633075721 652585198 /nfs/dbraw/zinc/58/51/98/652585198.db2.gz BFYSPPHHYLDOEL-NSHDSACASA-N 1 0 388.331 2.199 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000633143585 652587819 /nfs/dbraw/zinc/58/78/19/652587819.db2.gz IXSCRWZINACJRO-GDBMZVCRSA-N 1 0 392.301 2.427 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633265993 652590517 /nfs/dbraw/zinc/59/05/17/652590517.db2.gz MCRYZPWPVDJZSE-USXIJHARSA-N 1 0 394.313 2.109 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@H]3CCC[NH2+]CC3)ccc2s1 ZINC000592387301 652592681 /nfs/dbraw/zinc/59/26/81/652592681.db2.gz INCMQVKZKLTBOE-ZDUSSCGKSA-N 1 0 382.507 2.498 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592390587 652593201 /nfs/dbraw/zinc/59/32/01/652593201.db2.gz KRRMECDNVDDIEQ-KGLIPLIRSA-N 1 0 386.539 2.243 20 0 GEADRO CC[N@@H+](CC(=O)N(C)C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000592389875 652593227 /nfs/dbraw/zinc/59/32/27/652593227.db2.gz MMIDZROOPWMAKW-LBPRGKRZSA-N 1 0 393.709 2.252 20 0 GEADRO CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c(Br)c1 ZINC000592390749 652593242 /nfs/dbraw/zinc/59/32/42/652593242.db2.gz SEVFUJFHYDKLSY-JTQLQIEISA-N 1 0 393.303 2.032 20 0 GEADRO C[C@@H](CNC(=O)Nc1ccncc1I)[NH+]1CCCCC1 ZINC000760035029 652593442 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GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2nc(SCc3ccccc3)ns2)CCO1 ZINC000667218300 652597516 /nfs/dbraw/zinc/59/75/16/652597516.db2.gz XOJZHGNKFVRJOQ-DGCLKSJQSA-N 1 0 379.511 2.410 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667227271 652597794 /nfs/dbraw/zinc/59/77/94/652597794.db2.gz RJMMBIYMGXTMIV-ZETCQYMHSA-N 1 0 378.629 2.000 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000667252424 652598706 /nfs/dbraw/zinc/59/87/06/652598706.db2.gz VTUSQFZKBIVDQD-UHFFFAOYSA-N 1 0 376.682 2.465 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(Br)ccc1Cl ZINC000592546994 652599237 /nfs/dbraw/zinc/59/92/37/652599237.db2.gz CWLNWLUYXDNTHR-GFCCVEGCSA-N 1 0 375.650 2.080 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cccc2cncc(Br)c21 ZINC000667264750 652599532 /nfs/dbraw/zinc/59/95/32/652599532.db2.gz WJVWHSVJBXBBHT-LBPRGKRZSA-N 1 0 391.269 2.194 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000667263193 652599578 /nfs/dbraw/zinc/59/95/78/652599578.db2.gz XKJDJSYPGWJMJY-NSHDSACASA-N 1 0 391.269 2.194 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000760234916 652599775 /nfs/dbraw/zinc/59/97/75/652599775.db2.gz BBSRVBYRRHHERP-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc2cc(Br)cc(C)c2o1 ZINC000592550769 652600025 /nfs/dbraw/zinc/60/00/25/652600025.db2.gz IVIQXDHSVCKHNW-CYBMUJFWSA-N 1 0 395.253 2.481 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000592554259 652600308 /nfs/dbraw/zinc/60/03/08/652600308.db2.gz JWYWXURJZZNNKL-CYBMUJFWSA-N 1 0 379.869 2.441 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1c[nH]c(=O)n1C ZINC000633491992 652600326 /nfs/dbraw/zinc/60/03/26/652600326.db2.gz DJIPPLZJAJQELE-UHFFFAOYSA-N 1 0 396.289 2.138 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000667303664 652600611 /nfs/dbraw/zinc/60/06/11/652600611.db2.gz VRUSVOKQLZPXJA-UHFFFAOYSA-N 1 0 383.905 2.245 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000667301985 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CC1(C)CC[NH2+][C@H]1C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595982733 652745489 /nfs/dbraw/zinc/74/54/89/652745489.db2.gz WZKOQVJFVNQARQ-NSHDSACASA-N 1 0 384.221 2.494 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)c1cccn1-c1cccc(I)c1 ZINC000595983499 652745537 /nfs/dbraw/zinc/74/55/37/652745537.db2.gz PKFADOOAYSKHFJ-NSHDSACASA-N 1 0 383.233 2.420 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(I)c(Br)c1 ZINC000595983477 652745542 /nfs/dbraw/zinc/74/55/42/652745542.db2.gz PACVRISIGPSMKS-ZETCQYMHSA-N 1 0 397.054 2.391 20 0 GEADRO CS[C@H]1CN(C(=O)CCN2C(=S)N=NC2c2cccs2)C[C@H]1[NH+](C)C ZINC000763236199 652746471 /nfs/dbraw/zinc/74/64/71/652746471.db2.gz AYISUPOQLGJQGH-YPMHNXCESA-N 1 0 397.595 2.189 20 0 GEADRO C[NH+](C)C1CC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000670446263 652749448 /nfs/dbraw/zinc/74/94/48/652749448.db2.gz MVIWGLPXQYNWNA-NUYPLMSZSA-N 1 0 380.286 2.011 20 0 GEADRO O=C(c1ccc(Br)cc1O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670443841 652749495 /nfs/dbraw/zinc/74/94/95/652749495.db2.gz 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ZINC000597033607 652772944 /nfs/dbraw/zinc/77/29/44/652772944.db2.gz PAGCGYCPAINDMG-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)c3ccc(I)cn3)C2)CC1 ZINC000597668399 652786190 /nfs/dbraw/zinc/78/61/90/652786190.db2.gz WEXONYFFHRGGBF-UHFFFAOYSA-N 1 0 385.249 2.244 20 0 GEADRO C[C@H](CNC(=O)c1nc(Br)sc1C1CC1)N1CC[NH+](C)CC1 ZINC000764505480 652803122 /nfs/dbraw/zinc/80/31/22/652803122.db2.gz FRRMDEDYFVIQBV-SNVBAGLBSA-N 1 0 387.347 2.149 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]Cc2cc(F)c(F)cc2Br)CC1 ZINC000671769436 652811928 /nfs/dbraw/zinc/81/19/28/652811928.db2.gz DUNUFFHFAUNRTQ-UHFFFAOYSA-N 1 0 383.258 2.241 20 0 GEADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(Cn2ncc(Br)c2C2CC2)C1 ZINC000764919446 652815252 /nfs/dbraw/zinc/81/52/52/652815252.db2.gz GCJGKDPDCQGPBU-GXTWGEPZSA-N 1 0 399.333 2.344 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000636716797 652818768 /nfs/dbraw/zinc/81/87/68/652818768.db2.gz RVPNNJMSBGCXLU-GFCCVEGCSA-N 1 0 377.432 2.374 20 0 GEADRO 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CC(C)(CNC(=O)c1cc2ncc(Br)cn2n1)C[NH+]1CCCC1 ZINC000637165895 652844076 /nfs/dbraw/zinc/84/40/76/652844076.db2.gz JCTJLWKUXFPXHY-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000599004342 652844453 /nfs/dbraw/zinc/84/44/53/652844453.db2.gz MJOIOGTUOSQLKM-UHFFFAOYSA-N 1 0 394.269 2.156 20 0 GEADRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765684185 652847649 /nfs/dbraw/zinc/84/76/49/652847649.db2.gz SBYPDESRBOFMFX-ZFWWWQNUSA-N 1 0 376.469 2.444 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2ncc(Br)cn2n1 ZINC000637254829 652848738 /nfs/dbraw/zinc/84/87/38/652848738.db2.gz DASYNHZVPZSJAG-DGCLKSJQSA-N 1 0 378.274 2.191 20 0 GEADRO O=C(NCC[NH2+]C1CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000637297179 652850538 /nfs/dbraw/zinc/85/05/38/652850538.db2.gz DRFPLVNTHWJSHI-UHFFFAOYSA-N 1 0 381.318 2.028 20 0 GEADRO C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1cc(F)c(Br)cc1F ZINC000637370096 652853821 /nfs/dbraw/zinc/85/38/21/652853821.db2.gz LUZYOKDCNNCXOI-BJOHPYRUSA-N 1 0 394.260 2.400 20 0 GEADRO CC1(C)CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC[N@@H+]1CCO ZINC000673054311 652854176 /nfs/dbraw/zinc/85/41/76/652854176.db2.gz FIXFUIXXWCEFKS-GOEBONIOSA-N 1 0 396.329 2.403 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000637407144 652857118 /nfs/dbraw/zinc/85/71/18/652857118.db2.gz UBEMNMNZNMFRPM-UHFFFAOYSA-N 1 0 385.306 2.384 20 0 GEADRO COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637473562 652862143 /nfs/dbraw/zinc/86/21/43/652862143.db2.gz LBMAHOJFJUHKST-WOSRLPQWSA-N 1 0 390.311 2.387 20 0 GEADRO COCC[C@H](CO)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637474801 652862825 /nfs/dbraw/zinc/86/28/25/652862825.db2.gz RLLVHPTWSCRUJE-DOMZBBRYSA-N 1 0 378.300 2.293 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000673420368 652863141 /nfs/dbraw/zinc/86/31/41/652863141.db2.gz OJEDBQCHZZMNCK-JSGCOSHPSA-N 1 0 397.317 2.010 20 0 GEADRO CN(CN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000766068421 652864713 /nfs/dbraw/zinc/86/47/13/652864713.db2.gz HJBYLJQGEIYQSL-CYBMUJFWSA-N 1 0 378.270 2.171 20 0 GEADRO CC(C)[N@@H+]1CCCN(CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000766068583 652864725 /nfs/dbraw/zinc/86/47/25/652864725.db2.gz JWPBJCBOUWNNKR-UHFFFAOYSA-N 1 0 380.286 2.419 20 0 GEADRO CC(C)C[NH+]1CCN(CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000766069164 652864868 /nfs/dbraw/zinc/86/48/68/652864868.db2.gz UCKVASCFROEGKR-UHFFFAOYSA-N 1 0 380.286 2.276 20 0 GEADRO O=C(CSc1cccc(Br)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515395 652867015 /nfs/dbraw/zinc/86/70/15/652867015.db2.gz WUWVHIFBVUKHPR-KBPBESRZSA-N 1 0 385.327 2.209 20 0 GEADRO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516227 652867020 /nfs/dbraw/zinc/86/70/20/652867020.db2.gz NEMAAKSQDITQKU-RYUDHWBXSA-N 1 0 396.260 2.351 20 0 GEADRO O=C(CCc1cc(F)ccc1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518907 652867218 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GEADRO COc1ccccc1N1CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638446692 652889742 /nfs/dbraw/zinc/88/97/42/652889742.db2.gz ZXRSFAGSXHXEHN-UHFFFAOYSA-N 1 0 381.523 2.163 20 0 GEADRO CSc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1Br ZINC000638467881 652890438 /nfs/dbraw/zinc/89/04/38/652890438.db2.gz ORWGFDCAHTYJQO-LBPRGKRZSA-N 1 0 386.315 2.368 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000638485365 652890832 /nfs/dbraw/zinc/89/08/32/652890832.db2.gz BYJKVNPZTJDHCS-LLVKDONJSA-N 1 0 388.331 2.039 20 0 GEADRO [NH3+]CCn1cc(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)nn1 ZINC000638473798 652890904 /nfs/dbraw/zinc/89/09/04/652890904.db2.gz MPFGCPNHHANAPT-ZDUSSCGKSA-N 1 0 396.314 2.006 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638498060 652891367 /nfs/dbraw/zinc/89/13/67/652891367.db2.gz BWSPNRYEZIAKRK-GXSJLCMTSA-N 1 0 386.315 2.030 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(I)cc2)C[NH2+]1 ZINC000599923023 652892370 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C[NH2+]CCOCCN(C)C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000638588376 652896343 /nfs/dbraw/zinc/89/63/43/652896343.db2.gz XZGPESMEPQECTL-CYBMUJFWSA-N 1 0 388.295 2.041 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000638591129 652896447 /nfs/dbraw/zinc/89/64/47/652896447.db2.gz AQNSGBGPOVCFIY-GFCCVEGCSA-N 1 0 375.282 2.461 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000638590381 652896477 /nfs/dbraw/zinc/89/64/77/652896477.db2.gz UXDOBIVKMCFCOT-UHFFFAOYSA-N 1 0 386.283 2.191 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)c1cccnc1Oc1cccc(Br)c1 ZINC000638616846 652898712 /nfs/dbraw/zinc/89/87/12/652898712.db2.gz BWIJPBYKYNTSID-CYBMUJFWSA-N 1 0 392.253 2.355 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC1(C[NH3+])CCOCC1 ZINC000638637343 652900459 /nfs/dbraw/zinc/90/04/59/652900459.db2.gz PTKUOMDEIMYUHR-JTQLQIEISA-N 1 0 391.693 2.494 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)c2ncc(Br)cc2Br)C[NH2+]1 ZINC000638640999 652900410 /nfs/dbraw/zinc/90/04/10/652900410.db2.gz DQESYGZKAJVYFI-VXNVDRBHSA-N 1 0 377.080 2.477 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2cccn3c(I)cnc23)C(C)(C)C1 ZINC000766862964 652901261 /nfs/dbraw/zinc/90/12/61/652901261.db2.gz WDLNWYXDOIPCPB-UHFFFAOYSA-N 1 0 398.248 2.105 20 0 GEADRO [NH3+]CCCOCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000638657951 652901338 /nfs/dbraw/zinc/90/13/38/652901338.db2.gz PRKCODWIVBJWGV-HNNXBMFYSA-N 1 0 388.295 2.080 20 0 GEADRO CC(C)(CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000638690488 652902797 /nfs/dbraw/zinc/90/27/97/652902797.db2.gz WBAKCPTXOVXLMS-GOSISDBHSA-N 1 0 396.329 2.388 20 0 GEADRO O=C(C[C@H]1COCC[NH2+]1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638841960 652908969 /nfs/dbraw/zinc/90/89/69/652908969.db2.gz HRIMBTGHXRFXFC-AWEZNQCLSA-N 1 0 395.297 2.222 20 0 GEADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842290 652908990 /nfs/dbraw/zinc/90/89/90/652908990.db2.gz NYBQKVKQUWXEFN-CQSZACIVSA-N 1 0 395.297 2.222 20 0 GEADRO Cc1nn(-c2ccc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)c(C)c1Br ZINC000638912039 652912531 /nfs/dbraw/zinc/91/25/31/652912531.db2.gz HCMKHVUQXWGULQ-ZFWWWQNUSA-N 1 0 375.270 2.438 20 0 GEADRO COCC1(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[NH2+]CC1 ZINC000638942359 652914310 /nfs/dbraw/zinc/91/43/10/652914310.db2.gz HKXYMGNWKCFDEE-ARFHVFGLSA-N 1 0 379.298 2.220 20 0 GEADRO [NH3+]CC1(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CCCCC1 ZINC000638999316 652915498 /nfs/dbraw/zinc/91/54/98/652915498.db2.gz YSZBQRTVBVKDQU-UHFFFAOYSA-N 1 0 382.258 2.171 20 0 GEADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 ZINC000639029782 652916194 /nfs/dbraw/zinc/91/61/94/652916194.db2.gz MJIFLJCBCXVUIV-JYJNAYRXSA-N 1 0 394.313 2.326 20 0 GEADRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)COc2ccc(Br)cn2)C1 ZINC000639027712 652916248 /nfs/dbraw/zinc/91/62/48/652916248.db2.gz PZKOZLYGKOSORG-LBPRGKRZSA-N 1 0 376.254 2.387 20 0 GEADRO [NH3+][C@H]1CC[C@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000639027231 652916287 /nfs/dbraw/zinc/91/62/87/652916287.db2.gz YEQUCOIONXMHRA-HAQNSBGRSA-N 1 0 386.265 2.094 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)cc1Cl ZINC000639042893 652917074 /nfs/dbraw/zinc/91/70/74/652917074.db2.gz MCJTWRMJTSEWTO-CYBMUJFWSA-N 1 0 385.917 2.011 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCCNC(=O)C3)C2=O)ccc1Br ZINC000639051575 652917556 /nfs/dbraw/zinc/91/75/56/652917556.db2.gz FUPGYMUILQDKMB-IUODEOHRSA-N 1 0 380.286 2.121 20 0 GEADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000639132449 652921317 /nfs/dbraw/zinc/92/13/17/652921317.db2.gz OLYANRKGRAQDAM-ZIAGYGMSSA-N 1 0 387.933 2.045 20 0 GEADRO COc1nsc(CNc2ccn(C3CC[NH+](C)CC3)n2)c1Br ZINC000639129965 652921347 /nfs/dbraw/zinc/92/13/47/652921347.db2.gz AASBSFPAEFXVKA-UHFFFAOYSA-N 1 0 386.319 2.990 20 0 GEADRO CNS(=O)(=O)CCC[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000600633729 652923443 /nfs/dbraw/zinc/92/34/43/652923443.db2.gz FJOGNRDYELKHLF-INIZCTEOSA-N 1 0 385.917 2.027 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Cl)cc1O ZINC000639161777 652924186 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Brc1cnc2c(C[N@@H+]3CCC[C@H](N4CCOCC4)CC3)cnn2c1 ZINC000639302259 652931205 /nfs/dbraw/zinc/93/12/05/652931205.db2.gz KYRHXSGJYOLRTF-INIZCTEOSA-N 1 0 394.317 2.179 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(Cc2cnn3cc(Br)cnc23)CCO1 ZINC000639335905 652933183 /nfs/dbraw/zinc/93/31/83/652933183.db2.gz YQRLOLNGWGWLCJ-HNNXBMFYSA-N 1 0 382.306 2.034 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1nc2cc(Br)ccc2o1 ZINC000639349841 652933753 /nfs/dbraw/zinc/93/37/53/652933753.db2.gz SLPGAXRTKNROCU-ZDUSSCGKSA-N 1 0 381.274 2.020 20 0 GEADRO C[C@@]12C[NH+](Cc3nc4cc(Br)ccc4o3)C[C@@]1(C)C(=O)NC2=O ZINC000639365608 652934334 /nfs/dbraw/zinc/93/43/34/652934334.db2.gz PMCQKBKKGYQVEG-HOTGVXAUSA-N 1 0 378.226 2.075 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)o1 ZINC000639377667 652935334 /nfs/dbraw/zinc/93/53/34/652935334.db2.gz ONDQXVSVIWVDPJ-NWANDNLSSA-N 1 0 383.267 2.117 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)Nc2ccc(I)cc2)cn1 ZINC000600891196 652937552 /nfs/dbraw/zinc/93/75/52/652937552.db2.gz UPFJIUHDCAKAGH-UHFFFAOYSA-N 1 0 384.221 2.302 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCN(C)S(C)(=O)=O ZINC000675747375 652939597 /nfs/dbraw/zinc/93/95/97/652939597.db2.gz YYZMHHKINIQKCB-NSHDSACASA-N 1 0 381.311 2.390 20 0 GEADRO Brc1ccc(CN2CC[NH+](C[C@H]3CCc4ncnn43)CC2)cc1 ZINC000639519458 652939703 /nfs/dbraw/zinc/93/97/03/652939703.db2.gz QRMZGOWWGNHSGN-MRXNPFEDSA-N 1 0 376.302 2.346 20 0 GEADRO O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000639513462 652939789 /nfs/dbraw/zinc/93/97/89/652939789.db2.gz HRAKOWPDVFAHHA-PBHICJAKSA-N 1 0 389.323 2.387 20 0 GEADRO CCC(=O)N1CCC([NH2+]C[C@H](O)COc2ccccc2Br)CC1 ZINC000675763788 652941394 /nfs/dbraw/zinc/94/13/94/652941394.db2.gz VXNBALIDQRKMQX-AWEZNQCLSA-N 1 0 385.302 2.179 20 0 GEADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)Nc1nnc(C(F)F)s1 ZINC000639594626 652943388 /nfs/dbraw/zinc/94/33/88/652943388.db2.gz UYUQZFUBALJIMX-JTQLQIEISA-N 1 0 375.445 2.583 20 0 GEADRO CCCC[C@H](C)[N@H+](CCCC)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639657668 652946332 /nfs/dbraw/zinc/94/63/32/652946332.db2.gz RDHKEHIEQLVDSX-INIZCTEOSA-N 1 0 375.579 2.207 20 0 GEADRO CNC(=O)NC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639677236 652947653 /nfs/dbraw/zinc/94/76/53/652947653.db2.gz JXQQPYHSNHOXCO-CQSZACIVSA-N 1 0 376.284 2.127 20 0 GEADRO C[C@@H]1CN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000639674636 652948002 /nfs/dbraw/zinc/94/80/02/652948002.db2.gz VSYOBHQDCKCLFN-WWGRRREGSA-N 1 0 377.312 2.120 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cnc1Cl ZINC000767758422 652948837 /nfs/dbraw/zinc/94/88/37/652948837.db2.gz PIGTYSZCMOUIEY-UHFFFAOYSA-N 1 0 375.922 2.485 20 0 GEADRO Nc1nnc(C2CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)o1 ZINC000639726854 652950110 /nfs/dbraw/zinc/95/01/10/652950110.db2.gz OSYYJBGZNWDRCQ-LLVKDONJSA-N 1 0 387.267 2.578 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000639764560 652952162 /nfs/dbraw/zinc/95/21/62/652952162.db2.gz GTJVUYGZJWMVBN-KRWDZBQOSA-N 1 0 395.301 2.388 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)cn1 ZINC000676094182 652953821 /nfs/dbraw/zinc/95/38/21/652953821.db2.gz SQTIMULJRKOLDS-UHFFFAOYSA-N 1 0 384.267 2.006 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)on1 ZINC000601105318 652954642 /nfs/dbraw/zinc/95/46/42/652954642.db2.gz ZUALYQCVFCOVNI-GFCCVEGCSA-N 1 0 388.205 2.117 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)c1OC ZINC000601344894 653087448 /nfs/dbraw/zinc/08/74/48/653087448.db2.gz IBWXCKHDNDYMPQ-GFCCVEGCSA-N 1 0 390.889 2.027 20 0 GEADRO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H](O)CC1(O)CCC1 ZINC000639920768 653088742 /nfs/dbraw/zinc/08/87/42/653088742.db2.gz XREWJMJNXQOKNH-HUUCEWRRSA-N 1 0 378.296 2.331 20 0 GEADRO Cc1ncc([C@H](C)[NH2+]CC(=O)N2CCN(C(=O)c3cccs3)CC2)s1 ZINC000639995478 653092462 /nfs/dbraw/zinc/09/24/62/653092462.db2.gz VEJYQNMTLMTBQV-LBPRGKRZSA-N 1 0 378.523 2.148 20 0 GEADRO CSC1(CNS(=O)(=O)CCc2noc3ccccc23)CC[NH+](C)CC1 ZINC000601416677 653093176 /nfs/dbraw/zinc/09/31/76/653093176.db2.gz VPGREEPHFHPHNJ-UHFFFAOYSA-N 1 0 383.539 2.117 20 0 GEADRO OC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000640041428 653094349 /nfs/dbraw/zinc/09/43/49/653094349.db2.gz XCYMPJHXVXXHER-ZKYQVNSYSA-N 1 0 398.219 2.291 20 0 GEADRO CC(C)(C)OC(=O)NCC[N@H+](CCO)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000767922882 653095623 /nfs/dbraw/zinc/09/56/23/653095623.db2.gz MOGWLEVNASLNDH-OAHLLOKOSA-N 1 0 376.856 2.332 20 0 GEADRO CSc1ncc(Cl)c(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000601477216 653098764 /nfs/dbraw/zinc/09/87/64/653098764.db2.gz GOPCULOWXFATQZ-ZDUSSCGKSA-N 1 0 383.949 2.092 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768065210 653099972 /nfs/dbraw/zinc/09/99/72/653099972.db2.gz GBUWVKIFUBERPH-SECBINFHSA-N 1 0 391.697 2.283 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cscc1Br ZINC000640187122 653103950 /nfs/dbraw/zinc/10/39/50/653103950.db2.gz XWAQFVFDZSITLR-SECBINFHSA-N 1 0 375.292 2.094 20 0 GEADRO C[C@H]1COCCC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000676713953 653104776 /nfs/dbraw/zinc/10/47/76/653104776.db2.gz UCKGKLPMDOUFPX-ZDUSSCGKSA-N 1 0 387.311 2.148 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CCSC1 ZINC000640294766 653110874 /nfs/dbraw/zinc/11/08/74/653110874.db2.gz JBAKRGJBYJEKCK-GFCCVEGCSA-N 1 0 385.843 2.658 20 0 GEADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c(Br)cc1F ZINC000601558170 653111286 /nfs/dbraw/zinc/11/12/86/653111286.db2.gz CUBUJLCFKGTIFE-RKDXNWHRSA-N 1 0 388.237 2.433 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2nn(C)cc2Br)c1 ZINC000640307997 653112707 /nfs/dbraw/zinc/11/27/07/653112707.db2.gz BUMBWDFDBKKDEA-UHFFFAOYSA-N 1 0 380.290 2.956 20 0 GEADRO Cn1cc(Br)c(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)n1 ZINC000640308589 653113676 /nfs/dbraw/zinc/11/36/76/653113676.db2.gz IOGZKFPMAFKZAQ-UHFFFAOYSA-N 1 0 398.280 2.917 20 0 GEADRO Cn1cc(Br)c(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000640308675 653113775 /nfs/dbraw/zinc/11/37/75/653113775.db2.gz RGNDHKXRUVYLKG-UHFFFAOYSA-N 1 0 392.301 2.753 20 0 GEADRO Cn1cc(Br)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000640312312 653116320 /nfs/dbraw/zinc/11/63/20/653116320.db2.gz ZLUFVQVCWXUASI-RISCZKNCSA-N 1 0 382.306 2.663 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1ccccc1-n1cncn1)c1ccc(Cl)s1 ZINC000676905297 653116342 /nfs/dbraw/zinc/11/63/42/653116342.db2.gz SWSVQYJQCGXZIH-UHFFFAOYSA-N 1 0 397.913 2.050 20 0 GEADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@H](CC(N)=O)C3)C2=O)ccc1Br ZINC000676904181 653116459 /nfs/dbraw/zinc/11/64/59/653116459.db2.gz VRPNCEHHGQAVRM-BBRMVZONSA-N 1 0 394.313 2.450 20 0 GEADRO Cn1cc(Br)c(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000640318125 653119848 /nfs/dbraw/zinc/11/98/48/653119848.db2.gz MTTOTMNUTREKNS-KRWDZBQOSA-N 1 0 392.301 2.969 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640387940 653125331 /nfs/dbraw/zinc/12/53/31/653125331.db2.gz SQAXEXWVVRIAFH-MRVPVSSYSA-N 1 0 387.378 3.046 20 0 GEADRO C[NH+](C)Cc1ccnc(NC(=O)NCCCn2cc(Br)cn2)c1 ZINC000640572530 653131475 /nfs/dbraw/zinc/13/14/75/653131475.db2.gz QPMCELMALMIJNS-UHFFFAOYSA-N 1 0 381.278 2.314 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccn2c(I)cnc12 ZINC000768849408 653131995 /nfs/dbraw/zinc/13/19/95/653131995.db2.gz QLSLCUZIOWSOHM-WDEREUQCSA-N 1 0 398.248 2.104 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH2+]CCc1ccc(I)cc1)C1CC1 ZINC000601965592 653133848 /nfs/dbraw/zinc/13/38/48/653133848.db2.gz PHOOGERSROGKHN-CVEARBPZSA-N 1 0 389.277 2.335 20 0 GEADRO CC[C@H]([NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1CCCCC1 ZINC000678896501 653133835 /nfs/dbraw/zinc/13/38/35/653133835.db2.gz JYKLEQFWLYVYKJ-KRWDZBQOSA-N 1 0 375.579 2.111 20 0 GEADRO C[C@](O)(C[C@H](O)C[NH2+]CCc1ccc(I)cc1)C1CC1 ZINC000601965601 653133907 /nfs/dbraw/zinc/13/39/07/653133907.db2.gz PHOOGERSROGKHN-HOTGVXAUSA-N 1 0 389.277 2.335 20 0 GEADRO COc1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc(I)c1OC ZINC000602023643 653138736 /nfs/dbraw/zinc/13/87/36/653138736.db2.gz ZEROZIJYTGIAJX-ZYHUDNBSSA-N 1 0 390.265 2.335 20 0 GEADRO CC[NH+](CC)CCOC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000772086934 653139529 /nfs/dbraw/zinc/13/95/29/653139529.db2.gz GXSVDVAKLSUKOD-UHFFFAOYSA-N 1 0 378.288 2.351 20 0 GEADRO CSCCc1ccccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000602032154 653140303 /nfs/dbraw/zinc/14/03/03/653140303.db2.gz WAHRZVPDKRULMN-SFHVURJKSA-N 1 0 381.567 2.084 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000602048961 653142191 /nfs/dbraw/zinc/14/21/91/653142191.db2.gz QKMZDZKECWIAFC-SECBINFHSA-N 1 0 390.267 2.032 20 0 GEADRO [NH3+][C@H](c1cn(Cc2cc3c(cc2Br)OCO3)nn1)C1CCOCC1 ZINC000640852654 653142531 /nfs/dbraw/zinc/14/25/31/653142531.db2.gz LSPLFZBHBSXQGX-INIZCTEOSA-N 1 0 395.257 2.244 20 0 GEADRO COC[C@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2ccc(C)cc2Br)nn1 ZINC000640886834 653144109 /nfs/dbraw/zinc/14/41/09/653144109.db2.gz KXHJFZLBFPGUIO-VXGBXAGGSA-N 1 0 396.289 2.065 20 0 GEADRO COCC[C@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640900748 653145106 /nfs/dbraw/zinc/14/51/06/653145106.db2.gz BSYWCWHIWDOGME-RYUDHWBXSA-N 1 0 396.289 2.147 20 0 GEADRO COC[C@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640905622 653145525 /nfs/dbraw/zinc/14/55/25/653145525.db2.gz AKMICCBRXLKCGF-VXGBXAGGSA-N 1 0 396.289 2.065 20 0 GEADRO [NH3+]CCCCc1cn(Cc2nc(-c3cc(Br)cs3)no2)nn1 ZINC000640994650 653149690 /nfs/dbraw/zinc/14/96/90/653149690.db2.gz XUYVYZDXZJAPID-UHFFFAOYSA-N 1 0 383.275 2.482 20 0 GEADRO C[NH2+][C@@H](C)c1cn(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)nn1 ZINC000641027803 653150982 /nfs/dbraw/zinc/15/09/82/653150982.db2.gz OWXSHAPSMPVYCO-NSHDSACASA-N 1 0 377.495 2.134 20 0 GEADRO [NH3+][C@@H](c1cn(CC(=O)NCC2CCC2)nn1)c1ccc(Br)cc1 ZINC000641031559 653151729 /nfs/dbraw/zinc/15/17/29/653151729.db2.gz QEOAFOWCEPMSHS-MRXNPFEDSA-N 1 0 378.274 2.005 20 0 GEADRO CC[NH2+]Cc1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641042822 653152907 /nfs/dbraw/zinc/15/29/07/653152907.db2.gz QYLRVAOLZHIPSD-UHFFFAOYSA-N 1 0 377.246 2.172 20 0 GEADRO C[NH2+][C@@H](C)c1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641043657 653152918 /nfs/dbraw/zinc/15/29/18/653152918.db2.gz WHHKMCYGKWFRQT-JTQLQIEISA-N 1 0 377.246 2.343 20 0 GEADRO COC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(Cl)c1F ZINC000806139702 653153953 /nfs/dbraw/zinc/15/39/53/653153953.db2.gz QMDTZVKBBIETGE-MRXNPFEDSA-N 1 0 392.924 2.265 20 0 GEADRO O=C1[C@@H](n2cc(C[NH2+]C3CC3)nn2)CCN1c1cccc(Br)c1 ZINC000641104664 653156878 /nfs/dbraw/zinc/15/68/78/653156878.db2.gz KQGGDPPQYQRREF-HNNXBMFYSA-N 1 0 376.258 2.271 20 0 GEADRO COC[C@@H]([NH3+])Cc1cn([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nn1 ZINC000641106815 653157340 /nfs/dbraw/zinc/15/73/40/653157340.db2.gz BBEQSGQUTCCIOH-NHYWBVRUSA-N 1 0 384.267 2.079 20 0 GEADRO Clc1ccc(-n2cc(Cn3cc(C[C@@H]4CC[NH2+]C4)nn3)nn2)cc1Cl ZINC000641110994 653157999 /nfs/dbraw/zinc/15/79/99/653157999.db2.gz PIIZJIHXCCWDEZ-NSHDSACASA-N 1 0 378.267 2.366 20 0 GEADRO Cc1cc(N2CCC[C@H](n3cc(CC[NH3+])nn3)C2=O)ccc1Br ZINC000641117589 653158737 /nfs/dbraw/zinc/15/87/37/653158737.db2.gz NWPBORSWFAIEOD-HNNXBMFYSA-N 1 0 378.274 2.218 20 0 GEADRO Brc1ccc2c(c1)[C@@H](n1cc(CN3CC[NH2+]CC3)nn1)CCC2 ZINC000641122594 653159915 /nfs/dbraw/zinc/15/99/15/653159915.db2.gz JSPAIGOHPKSJJE-KRWDZBQOSA-N 1 0 376.302 2.372 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000769512618 653160266 /nfs/dbraw/zinc/16/02/66/653160266.db2.gz OZTQNTJELRARGN-GJZGRUSLSA-N 1 0 377.551 2.082 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000806360913 653160466 /nfs/dbraw/zinc/16/04/66/653160466.db2.gz GYPJEUJZKCTIIM-CJNGLKHVSA-N 1 0 377.360 2.238 20 0 GEADRO CCCOc1ccc(Br)cc1Cn1cc(C[C@@H]([NH3+])COC)nn1 ZINC000641135805 653161950 /nfs/dbraw/zinc/16/19/50/653161950.db2.gz YJNHFDWUTNQXHN-CQSZACIVSA-N 1 0 383.290 2.394 20 0 GEADRO C[NH+](C)CCc1cn([C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164147 653164328 /nfs/dbraw/zinc/16/43/28/653164328.db2.gz CQIBXUOJLVGTMG-HNNXBMFYSA-N 1 0 378.274 2.271 20 0 GEADRO C[NH2+]C(C)(C)c1cn(CC(=O)c2c[nH]c3ncc(Br)cc23)nn1 ZINC000641168328 653164872 /nfs/dbraw/zinc/16/48/72/653164872.db2.gz GVICXJYICXDPBL-UHFFFAOYSA-N 1 0 377.246 2.254 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H]2CCNC(=O)CC2)nn1)c1ccc(Br)cc1 ZINC000641172848 653165351 /nfs/dbraw/zinc/16/53/51/653165351.db2.gz YHJCZCZALKVNSS-ZBEGNZNMSA-N 1 0 378.274 2.005 20 0 GEADRO C[C@@H](c1ncc(Br)cn1)n1cc(COc2ccc(C[NH3+])cc2)nn1 ZINC000641179047 653166762 /nfs/dbraw/zinc/16/67/62/653166762.db2.gz YTUIEBPFYLOJMU-NSHDSACASA-N 1 0 389.257 2.478 20 0 GEADRO [NH3+]CCCc1cn(C[C@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000641213838 653170124 /nfs/dbraw/zinc/17/01/24/653170124.db2.gz DWAVRDJOCWJEPE-LBPRGKRZSA-N 1 0 389.681 2.025 20 0 GEADRO C[C@H](CNC(=O)c1nccn2c(Br)cnc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000769690282 653171043 /nfs/dbraw/zinc/17/10/43/653171043.db2.gz OYBKADYKOUYOAY-VXGBXAGGSA-N 1 0 380.290 2.342 20 0 GEADRO C[C@](O)(C[C@@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1)C1CC1 ZINC000641231802 653172350 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20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000682913650 653226125 /nfs/dbraw/zinc/22/61/25/653226125.db2.gz FMLFVVIKLDPDCA-IUODEOHRSA-N 1 0 380.432 2.435 20 0 GEADRO CC(C)c1cc(NC[C@@H](O)C(F)(F)F)nc(NC[C@@H](O)C(F)(F)F)[nH+]1 ZINC000682923288 653226200 /nfs/dbraw/zinc/22/62/00/653226200.db2.gz DKLUWAHYMUDPMA-RKDXNWHRSA-N 1 0 376.301 2.270 20 0 GEADRO CN1C(=O)C[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000683144055 653228001 /nfs/dbraw/zinc/22/80/01/653228001.db2.gz FHJZCXQVEKUJGK-XNJJOIOASA-N 1 0 388.892 2.165 20 0 GEADRO CN1C(=O)C[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000683144054 653228134 /nfs/dbraw/zinc/22/81/34/653228134.db2.gz FHJZCXQVEKUJGK-PJQXDXOGSA-N 1 0 388.892 2.165 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(Br)n1 ZINC000774187359 653228138 /nfs/dbraw/zinc/22/81/38/653228138.db2.gz LVHSWWQAXOWBME-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO O=C(CCc1cc(Cl)cs1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641669466 653229445 /nfs/dbraw/zinc/22/94/45/653229445.db2.gz VJMVLKRFSFWELH-MRXNPFEDSA-N 1 0 385.961 2.247 20 0 GEADRO Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)n1 ZINC000774246830 653230754 /nfs/dbraw/zinc/23/07/54/653230754.db2.gz RMHODZGBSVQUJT-CQSZACIVSA-N 1 0 382.302 2.479 20 0 GEADRO CC(C)O[C@]1(CS(=O)(=O)N(C)CCCC[NH+]2CCCCC2)CCOC1 ZINC000641697594 653231244 /nfs/dbraw/zinc/23/12/44/653231244.db2.gz IAKUCUIDWJZULY-GOSISDBHSA-N 1 0 376.563 2.098 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000774268346 653231745 /nfs/dbraw/zinc/23/17/45/653231745.db2.gz AAEUXVDYPQAWAH-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccncc2N)c1 ZINC000641720319 653232115 /nfs/dbraw/zinc/23/21/15/653232115.db2.gz GEIWJOKXQHPDCS-UHFFFAOYSA-N 1 0 393.285 2.345 20 0 GEADRO C[N@H+](CC(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)[C@@H]1CCSC1 ZINC000641739757 653232749 /nfs/dbraw/zinc/23/27/49/653232749.db2.gz 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CCn1ncc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c1Br ZINC000874153734 653272909 /nfs/dbraw/zinc/27/29/09/653272909.db2.gz AZSMOMQZMYHJTC-UHFFFAOYSA-N 1 0 393.289 2.065 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857012974 653274185 /nfs/dbraw/zinc/27/41/85/653274185.db2.gz AFBDZDWYYIQIFM-GFCCVEGCSA-N 1 0 399.333 2.416 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857018240 653275324 /nfs/dbraw/zinc/27/53/24/653275324.db2.gz YYQQHBJZSOHFKT-NEPJUHHUSA-N 1 0 385.306 2.026 20 0 GEADRO CC(=O)N1CCN(CC[NH2+]Cc2nc3ccc(Br)cc3s2)CC1 ZINC000774963284 653275185 /nfs/dbraw/zinc/27/51/85/653275185.db2.gz OKCFBMUBRVZEMA-UHFFFAOYSA-N 1 0 397.342 2.313 20 0 GEADRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684552722 653275875 /nfs/dbraw/zinc/27/58/75/653275875.db2.gz JVETXMMLHVANNO-WDEREUQCSA-N 1 0 397.324 2.345 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3Br)CC[C@H]21 ZINC000874170077 653278046 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GEADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000775168438 653298349 /nfs/dbraw/zinc/29/83/49/653298349.db2.gz YTZHWHSMOIRVHF-VHDGCEQUSA-N 1 0 384.307 2.248 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccco1 ZINC000775170085 653299739 /nfs/dbraw/zinc/29/97/39/653299739.db2.gz UJACDSAGVFMHME-NWDGAFQWSA-N 1 0 376.284 2.089 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccco1 ZINC000775170092 653299937 /nfs/dbraw/zinc/29/99/37/653299937.db2.gz UJACDSAGVFMHME-RYUDHWBXSA-N 1 0 376.284 2.089 20 0 GEADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000775182980 653301523 /nfs/dbraw/zinc/30/15/23/653301523.db2.gz NFEWAMVVIZGDFI-OCCSQVGLSA-N 1 0 376.328 2.210 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)C[C@H]1CCCC(F)(F)C1)N1CC[NH+](C)CC1 ZINC000685296976 653302369 /nfs/dbraw/zinc/30/23/69/653302369.db2.gz XLANOYNAMSOZOF-JKSUJKDBSA-N 1 0 381.533 2.003 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)ccc1Cl 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2.076 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(Br)nnn1C)Cc1ccccc1 ZINC000810091185 653323972 /nfs/dbraw/zinc/32/39/72/653323972.db2.gz KANLEAIRCIAKMG-CQSZACIVSA-N 1 0 394.317 2.261 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1sccc1Br ZINC000714330405 653324305 /nfs/dbraw/zinc/32/43/05/653324305.db2.gz KBTZCJKQVCZTCT-UHFFFAOYSA-N 1 0 381.239 2.412 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)ccc1Br ZINC000775710038 653324680 /nfs/dbraw/zinc/32/46/80/653324680.db2.gz IKOJZJMIEKVAOJ-SNVBAGLBSA-N 1 0 377.304 2.270 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000810179753 653329298 /nfs/dbraw/zinc/32/92/98/653329298.db2.gz FKYIUHXOJQDOFT-HIFRSBDPSA-N 1 0 390.981 2.415 20 0 GEADRO Cn1nnc(Br)c1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000810182736 653329885 /nfs/dbraw/zinc/32/98/85/653329885.db2.gz FLDXKDGFHYOJNP-UHFFFAOYSA-N 1 0 384.322 2.306 20 0 GEADRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)nc1 ZINC000810232541 653331651 /nfs/dbraw/zinc/33/16/51/653331651.db2.gz IHYGVCNZORJGDT-SUNKGSAMSA-N 1 0 378.274 2.422 20 0 GEADRO Cn1nnc(Br)c1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000810271349 653332673 /nfs/dbraw/zinc/33/26/73/653332673.db2.gz RVEIACYGZDEXNZ-LLVKDONJSA-N 1 0 398.330 2.281 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000836128245 653332823 /nfs/dbraw/zinc/33/28/23/653332823.db2.gz SKZIMZZGHQVAGH-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CC(C)CN(C(=O)c1c(Br)nc2n1CCOC2)C1CC[NH+](C)CC1 ZINC000857711423 653334171 /nfs/dbraw/zinc/33/41/71/653334171.db2.gz SPXSJFZTGCAKFA-UHFFFAOYSA-N 1 0 399.333 2.368 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000874826711 653338160 /nfs/dbraw/zinc/33/81/60/653338160.db2.gz PKVYXHVGSOFVJJ-LSDHHAIUSA-N 1 0 390.285 2.339 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc(C=O)cc1Br ZINC000874840029 653338979 /nfs/dbraw/zinc/33/89/79/653338979.db2.gz ZIDRKFVWAWVSNK-HUUCEWRRSA-N 1 0 381.270 2.336 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000874844974 653339546 /nfs/dbraw/zinc/33/95/46/653339546.db2.gz DVMZPXGQXBGUNJ-LSDHHAIUSA-N 1 0 395.297 2.458 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)C(F)(F)F)n1 ZINC000874846571 653339618 /nfs/dbraw/zinc/33/96/18/653339618.db2.gz YOCZNVPREVJUJW-YWPYICTPSA-N 1 0 377.432 2.287 20 0 GEADRO CCOCCONC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000776197900 653341416 /nfs/dbraw/zinc/34/14/16/653341416.db2.gz XXAYLUNILONTHM-UHFFFAOYSA-N 1 0 388.306 2.490 20 0 GEADRO CC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857882047 653341735 /nfs/dbraw/zinc/34/17/35/653341735.db2.gz FHUMAPJLZZQBMT-NHYWBVRUSA-N 1 0 382.302 2.183 20 0 GEADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)[C@H]2COCCO2)C1 ZINC000857883460 653341808 /nfs/dbraw/zinc/34/18/08/653341808.db2.gz VKCYOPABYXMISV-GDBMZVCRSA-N 1 0 383.286 2.074 20 0 GEADRO CC(=O)N[C@@H](C)C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857882048 653341907 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COC(=O)c1ccc(C[NH2+]CC(C)(C)N2CCOCC2)cc1Br ZINC000876892169 653452358 /nfs/dbraw/zinc/45/23/58/653452358.db2.gz LWVIFUNBTFOFBQ-UHFFFAOYSA-N 1 0 385.302 2.436 20 0 GEADRO COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876894788 653452877 /nfs/dbraw/zinc/45/28/77/653452877.db2.gz RROLYXXWFULEDY-SNVBAGLBSA-N 1 0 379.404 2.142 20 0 GEADRO COC(=O)[C@H](CC(F)(F)F)NC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876894787 653453038 /nfs/dbraw/zinc/45/30/38/653453038.db2.gz RROLYXXWFULEDY-JTQLQIEISA-N 1 0 379.404 2.142 20 0 GEADRO COC(=O)c1cc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc(Br)c1F ZINC000876909992 653453475 /nfs/dbraw/zinc/45/34/75/653453475.db2.gz OOBIKNKCFXRHQN-CPCISQLKSA-N 1 0 377.185 2.261 20 0 GEADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876911068 653453516 /nfs/dbraw/zinc/45/35/16/653453516.db2.gz UFBUGBQFJITJBL-GXFFZTMASA-N 1 0 383.221 2.063 20 0 GEADRO O=S1(=O)CCC(C[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000876922160 653454333 /nfs/dbraw/zinc/45/43/33/653454333.db2.gz XSJJGHXTYNAKTN-UHFFFAOYSA-N 1 0 396.822 2.316 20 0 GEADRO CSC(C)(C)CC[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000876928809 653455111 /nfs/dbraw/zinc/45/51/11/653455111.db2.gz OSTKKBCRACGPFB-UHFFFAOYSA-N 1 0 386.583 2.470 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H](F)[C@H]3CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000876959164 653456066 /nfs/dbraw/zinc/45/60/66/653456066.db2.gz PCQSSRMYGNWRIC-WYFGTUCQSA-N 1 0 398.114 2.289 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1I ZINC000876951689 653456075 /nfs/dbraw/zinc/45/60/75/653456075.db2.gz FKTHYKATMPOWIR-VHSXEESVSA-N 1 0 376.242 2.020 20 0 GEADRO O=C(Nc1nc2cc(I)ccc2[nH]1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876976359 653458149 /nfs/dbraw/zinc/45/81/49/653458149.db2.gz KIKAVTXETBAHHV-HQJQHLMTSA-N 1 0 388.184 2.054 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000877017133 653459763 /nfs/dbraw/zinc/45/97/63/653459763.db2.gz LEXQHTMCIBQCQB-MNOVXSKESA-N 1 0 398.834 2.343 20 0 GEADRO ClC1(Cl)C[C@H]1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000877009815 653459947 /nfs/dbraw/zinc/45/99/47/653459947.db2.gz BDHNWANOVSAURK-KBPBESRZSA-N 1 0 386.327 2.065 20 0 GEADRO CCOC(=O)C1=CC[C@@H](NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000877027715 653461610 /nfs/dbraw/zinc/46/16/10/653461610.db2.gz QNMDNKDZJHTXDV-RHSMWYFYSA-N 1 0 381.270 2.391 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)CC1 ZINC000877040554 653462712 /nfs/dbraw/zinc/46/27/12/653462712.db2.gz QJAXSVQDCZNTCR-INIZCTEOSA-N 1 0 376.469 2.012 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(OC(F)(F)F)cc1Br ZINC000877038358 653462760 /nfs/dbraw/zinc/46/27/60/653462760.db2.gz NKVBCEPCEOEGEV-MRVPVSSYSA-N 1 0 383.164 2.066 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H](C)CCS(C)(=O)=O)cc1Br ZINC000877089810 653465508 /nfs/dbraw/zinc/46/55/08/653465508.db2.gz PXPFFFTWHLNPEK-JTQLQIEISA-N 1 0 378.288 2.149 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000877101925 653465877 /nfs/dbraw/zinc/46/58/77/653465877.db2.gz UWHIUMMXMQKWTF-ZIAGYGMSSA-N 1 0 396.329 2.415 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877131215 653468395 /nfs/dbraw/zinc/46/83/95/653468395.db2.gz WNKXYAHBPXPXQR-VZJVUDMVSA-N 1 0 379.259 2.139 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000877190564 653471203 /nfs/dbraw/zinc/47/12/03/653471203.db2.gz KMJFAVRBYBMRPP-UHFFFAOYSA-N 1 0 376.258 2.126 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NC2(C[NH3+])CCCCC2)ccc1Br ZINC000877205887 653472280 /nfs/dbraw/zinc/47/22/80/653472280.db2.gz XLAJVRNDBIMFAV-UHFFFAOYSA-N 1 0 389.315 2.244 20 0 GEADRO C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CC[NH2+]CC1 ZINC000877255347 653473260 /nfs/dbraw/zinc/47/32/60/653473260.db2.gz UGCNRWRMQLBJKQ-JTQLQIEISA-N 1 0 378.270 2.409 20 0 GEADRO COCCC1(NC(=O)c2cc(Br)cc3[nH]cnc32)CC[NH2+]CC1 ZINC000877268432 653473983 /nfs/dbraw/zinc/47/39/83/653473983.db2.gz FEPRZLSHEJVUBI-UHFFFAOYSA-N 1 0 381.274 2.214 20 0 GEADRO COc1ccc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(I)c1 ZINC000877278973 653474555 /nfs/dbraw/zinc/47/45/55/653474555.db2.gz PUIOEEVTKLOTEM-KGLIPLIRSA-N 1 0 386.233 2.266 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877277570 653474589 /nfs/dbraw/zinc/47/45/89/653474589.db2.gz NMIFHOCXKOCVEC-KBPBESRZSA-N 1 0 381.270 2.116 20 0 GEADRO [NH3+][C@@H](C(=O)NCCn1ccc(C(F)(F)F)n1)c1cccc(Br)c1 ZINC000877310316 653475524 /nfs/dbraw/zinc/47/55/24/653475524.db2.gz KHYSRYCMRVYGMB-GFCCVEGCSA-N 1 0 391.191 2.481 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000779407682 653476496 /nfs/dbraw/zinc/47/64/96/653476496.db2.gz GZDLGHAWFAXIJW-HUUCEWRRSA-N 1 0 377.551 2.082 20 0 GEADRO NC(=O)c1cn(C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)nn1 ZINC000859592403 653476651 /nfs/dbraw/zinc/47/66/51/653476651.db2.gz VQSVSEZWIKCZBN-OAHLLOKOSA-N 1 0 384.267 2.054 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877333111 653476981 /nfs/dbraw/zinc/47/69/81/653476981.db2.gz OGAHXFCFJGXKCK-KBPBESRZSA-N 1 0 397.313 2.491 20 0 GEADRO COc1ncc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Br ZINC000877357575 653478466 /nfs/dbraw/zinc/47/84/66/653478466.db2.gz LHORVLGHFAVBPH-RKDXNWHRSA-N 1 0 382.180 2.062 20 0 GEADRO C[C@H](CC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)n1cc(Br)cn1 ZINC000877355880 653478487 /nfs/dbraw/zinc/47/84/87/653478487.db2.gz KVUWAZKGRKOPAG-FXPVBKGRSA-N 1 0 383.212 2.192 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877361419 653478496 /nfs/dbraw/zinc/47/84/96/653478496.db2.gz TUIZDZLJEPVQKO-GZMMTYOYSA-N 1 0 395.223 2.119 20 0 GEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000779511619 653478968 /nfs/dbraw/zinc/47/89/68/653478968.db2.gz UFGPAJLHYCQBJT-DOTOQJQBSA-N 1 0 386.323 2.459 20 0 GEADRO CC(C)S(=O)(=O)c1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877369160 653479653 /nfs/dbraw/zinc/47/96/53/653479653.db2.gz UCYQIPXZDLMOFU-YPMHNXCESA-N 1 0 378.416 2.078 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)CSc2ccc3c(c2)OCCO3)C[C@@H]1C(F)(F)F ZINC000877369463 653479964 /nfs/dbraw/zinc/47/99/64/653479964.db2.gz ZRQCYHAITJESPH-PWSUYJOCSA-N 1 0 376.400 2.146 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)COc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000877371977 653480033 /nfs/dbraw/zinc/48/00/33/653480033.db2.gz XXNRRTCCZREAKO-JOYOIKCWSA-N 1 0 381.192 2.424 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CNC(=O)c1sc3ccccc3c1Cl)C2 ZINC000877373575 653480152 /nfs/dbraw/zinc/48/01/52/653480152.db2.gz DGRYKKPDYQUOOW-BBATYDOGSA-N 1 0 377.897 2.352 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(=O)[nH]c3ccc(Br)cc31)C2 ZINC000877378806 653480457 /nfs/dbraw/zinc/48/04/57/653480457.db2.gz AOYIQGCUQDJCRW-DYZYQPBXSA-N 1 0 376.254 2.384 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1I ZINC000877386384 653480510 /nfs/dbraw/zinc/48/05/10/653480510.db2.gz QLGALUVUKOLPCU-BXUZGUMPSA-N 1 0 388.253 2.083 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1I ZINC000877386388 653487272 /nfs/dbraw/zinc/48/72/72/653487272.db2.gz QLGALUVUKOLPCU-SMDDNHRTSA-N 1 0 388.253 2.083 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877396048 653500305 /nfs/dbraw/zinc/50/03/05/653500305.db2.gz RNSQUPNTSJRMEU-ZSGNIPIJSA-N 1 0 386.315 2.030 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877408499 653505058 /nfs/dbraw/zinc/50/50/58/653505058.db2.gz MQJUHHWPZMLHBE-CQSZACIVSA-N 1 0 382.302 2.039 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000877441684 653515488 /nfs/dbraw/zinc/51/54/88/653515488.db2.gz OVYCJKNTGNNHJA-HNNXBMFYSA-N 1 0 387.571 2.269 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000877476490 653523035 /nfs/dbraw/zinc/52/30/35/653523035.db2.gz GBYCYLKBYBVKTO-HNNXBMFYSA-N 1 0 390.343 2.015 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1nc(Cl)ccc1Br ZINC000877501857 653602594 /nfs/dbraw/zinc/60/25/94/653602594.db2.gz WLCWALVOJWVVPP-GXSJLCMTSA-N 1 0 396.738 2.305 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)ncc2Cl)C1 ZINC000779768181 653609710 /nfs/dbraw/zinc/60/97/10/653609710.db2.gz LDLDTYAVQYYYOK-SNVBAGLBSA-N 1 0 376.682 2.338 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C(F)(F)F)n1 ZINC000838143433 653611417 /nfs/dbraw/zinc/61/14/17/653611417.db2.gz VNSHNKPKGIPMIW-WFASDCNBSA-N 1 0 379.448 2.440 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1Br ZINC000877559381 653612024 /nfs/dbraw/zinc/61/20/24/653612024.db2.gz WEHONYAPQMUXNZ-AWEZNQCLSA-N 1 0 385.302 2.172 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C[N@@H+]1C1CC1 ZINC000859965143 653613508 /nfs/dbraw/zinc/61/35/08/653613508.db2.gz PDTXMHKJNFMHRM-CMPLNLGQSA-N 1 0 391.269 2.264 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000813740953 653613597 /nfs/dbraw/zinc/61/35/97/653613597.db2.gz LVIKEXMMWPKXSW-BXUZGUMPSA-N 1 0 381.885 2.221 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1Br ZINC000877618537 653614207 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GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000783917283 653686821 /nfs/dbraw/zinc/68/68/21/653686821.db2.gz MFIUYZDJRAWSAH-ZIAGYGMSSA-N 1 0 394.313 2.403 20 0 GEADRO CONC(=O)C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000879925702 653687650 /nfs/dbraw/zinc/68/76/50/653687650.db2.gz GTKKNSNCBUKSLA-AWEZNQCLSA-N 1 0 377.268 2.123 20 0 GEADRO Cn1ncc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)c1Cl ZINC000862537516 653687787 /nfs/dbraw/zinc/68/77/87/653687787.db2.gz BZZOICLTZDSNER-RYDUCSDGSA-N 1 0 376.810 2.305 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cnn(C)c1Br ZINC000816640434 653689332 /nfs/dbraw/zinc/68/93/32/653689332.db2.gz IYDWCVPFXATZNJ-UHFFFAOYSA-N 1 0 380.290 2.172 20 0 GEADRO C[C@@](O)(C[NH+]1CCC(CO)(CO)CC1)c1ccc(Br)cc1Cl ZINC000879970946 653690670 /nfs/dbraw/zinc/69/06/70/653690670.db2.gz IUZMRBRLXBQMJU-OAHLLOKOSA-N 1 0 392.721 2.377 20 0 GEADRO Cc1ccc(/C=C\C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(Br)c1 ZINC000862648002 653691714 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C[C@@H](O)CC[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000784544691 653696664 /nfs/dbraw/zinc/69/66/64/653696664.db2.gz JRGOGKVSZICRMP-LLVKDONJSA-N 1 0 396.372 2.446 20 0 GEADRO COC(=O)[C@@H]1CN(C(=S)Nc2cccc(C(F)(F)F)c2)CC[N@H+](C)C1 ZINC000840856241 653696686 /nfs/dbraw/zinc/69/66/86/653696686.db2.gz IUEMVVIITBMZNI-NSHDSACASA-N 1 0 375.416 2.439 20 0 GEADRO COC(=O)[C@H]1CN(C(=S)Nc2cccc(C(F)(F)F)c2)CC[N@H+](C)C1 ZINC000840856239 653696824 /nfs/dbraw/zinc/69/68/24/653696824.db2.gz IUEMVVIITBMZNI-LLVKDONJSA-N 1 0 375.416 2.439 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000816951427 653697087 /nfs/dbraw/zinc/69/70/87/653697087.db2.gz OGRHGNMHAIPPJA-JSGCOSHPSA-N 1 0 377.901 2.050 20 0 GEADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+](C)CCS(N)(=O)=O ZINC000880083635 653697512 /nfs/dbraw/zinc/69/75/12/653697512.db2.gz DNVCYRDNUGVEDA-UHFFFAOYSA-N 1 0 389.949 2.404 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1nnnn1-c1ccccc1Br ZINC000880133497 653699093 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CC[C@H](Sc1nc(CC(=O)NC2CCC([NH+](C)C)CC2)cs1)C(N)=O ZINC000880327502 653703984 /nfs/dbraw/zinc/70/39/84/653703984.db2.gz IATKASCQRBBUMG-UBHUBRDASA-N 1 0 384.571 2.031 20 0 GEADRO CN(CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)CC1(C)COC1 ZINC000863298860 653705761 /nfs/dbraw/zinc/70/57/61/653705761.db2.gz PUNBKSDKVRZCFR-QGZVFWFLSA-N 1 0 396.285 2.142 20 0 GEADRO CCC1([NH+]2CCOCC2)CCN(Cn2c(=O)scc2C(F)(F)F)CC1 ZINC000863327733 653706783 /nfs/dbraw/zinc/70/67/83/653706783.db2.gz UPMFQYXSDCQVJI-UHFFFAOYSA-N 1 0 379.448 2.463 20 0 GEADRO C[C@]1(CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1(Cl)Cl ZINC000841144166 653707719 /nfs/dbraw/zinc/70/77/19/653707719.db2.gz YBOITBJWSDGAPI-INIZCTEOSA-N 1 0 386.279 2.197 20 0 GEADRO Cc1nc(Br)sc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000841162153 653708616 /nfs/dbraw/zinc/70/86/16/653708616.db2.gz UWJSECCKBUBSEW-UHFFFAOYSA-N 1 0 385.287 2.190 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841167332 653708777 /nfs/dbraw/zinc/70/87/77/653708777.db2.gz 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CC[C@H](Sc1nc(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cs1)C(N)=O ZINC000880658656 653710879 /nfs/dbraw/zinc/71/08/79/653710879.db2.gz MHOOSXUWGFOVJG-STQMWFEESA-N 1 0 384.571 2.031 20 0 GEADRO O=C(Nc1cc2ccccc2nc1Br)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841219924 653710961 /nfs/dbraw/zinc/71/09/61/653710961.db2.gz IAQRXOOTMJAIHH-GFCCVEGCSA-N 1 0 391.269 2.194 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841227620 653711134 /nfs/dbraw/zinc/71/11/34/653711134.db2.gz BVHCLPFONMVEMP-PWSUYJOCSA-N 1 0 391.269 2.050 20 0 GEADRO [NH3+]CCCN(CC1CCCC1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000841236490 653711917 /nfs/dbraw/zinc/71/19/17/653711917.db2.gz BUFAPPDLURWXEJ-UHFFFAOYSA-N 1 0 383.290 2.150 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841251479 653712450 /nfs/dbraw/zinc/71/24/50/653712450.db2.gz MFLDDTFCLBQJAE-STQMWFEESA-N 1 0 395.301 2.021 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000841257870 653712565 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CC(C)(C)[S@](=O)CC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000819055111 653741697 /nfs/dbraw/zinc/74/16/97/653741697.db2.gz CIRMILFEEWZEOA-YEJXKQKISA-N 1 0 378.332 2.326 20 0 GEADRO CC(C)(C)[S@](=O)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000819056721 653741757 /nfs/dbraw/zinc/74/17/57/653741757.db2.gz NDWLBUZUKHWOFH-HXUWFJFHSA-N 1 0 396.372 2.360 20 0 GEADRO CC(C)(C)[S@@](=O)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000819056720 653741842 /nfs/dbraw/zinc/74/18/42/653741842.db2.gz NDWLBUZUKHWOFH-FQEVSTJZSA-N 1 0 396.372 2.360 20 0 GEADRO CC(C)(CNC(=O)N(CC[NH3+])CCO)Sc1ccc(Br)cc1 ZINC000841841773 653742012 /nfs/dbraw/zinc/74/20/12/653742012.db2.gz ZUCCLGUCGNYLRW-UHFFFAOYSA-N 1 0 390.347 2.282 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819065794 653742318 /nfs/dbraw/zinc/74/23/18/653742318.db2.gz UIWXMFWIDRBXPB-ZANVPECISA-N 1 0 384.723 2.333 20 0 GEADRO C[C@@]1(CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(Cl)Cl ZINC000841911665 653742573 /nfs/dbraw/zinc/74/25/73/653742573.db2.gz 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COCC1(CNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000841990617 653743172 /nfs/dbraw/zinc/74/31/72/653743172.db2.gz ALRJFHKXYYOZFT-HNNXBMFYSA-N 1 0 390.311 2.342 20 0 GEADRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccccc3Br)C2)cn1 ZINC000819104274 653743358 /nfs/dbraw/zinc/74/33/58/653743358.db2.gz JEUDNZWGSMDZPA-DYVFJYSZSA-N 1 0 379.302 2.475 20 0 GEADRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000787759134 653743457 /nfs/dbraw/zinc/74/34/57/653743457.db2.gz NMTJQFKEKXIRHO-LRDDRELGSA-N 1 0 381.270 2.331 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000842014755 653743676 /nfs/dbraw/zinc/74/36/76/653743676.db2.gz VWNLCXAIIWUXPX-UGQVUOCMSA-N 1 0 382.302 2.170 20 0 GEADRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccccc3Br)C2=O)n1 ZINC000819114112 653743829 /nfs/dbraw/zinc/74/38/29/653743829.db2.gz VEUCJKKGAOUJBC-GJZGRUSLSA-N 1 0 393.285 2.001 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)C2=O)n(C)n1 ZINC000819119696 653744026 /nfs/dbraw/zinc/74/40/26/653744026.db2.gz CDRCKROWFZOHJJ-HUUCEWRRSA-N 1 0 383.279 2.464 20 0 GEADRO CC(C)(C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)S(C)(=O)=O ZINC000819130341 653744243 /nfs/dbraw/zinc/74/42/43/653744243.db2.gz AKCJPQVJUOCZAK-CQSZACIVSA-N 1 0 382.295 2.209 20 0 GEADRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000819146585 653744429 /nfs/dbraw/zinc/74/44/29/653744429.db2.gz QUTBAKXOCLJZLK-AWEZNQCLSA-N 1 0 384.395 2.071 20 0 GEADRO COCCC(=O)N1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819172566 653745257 /nfs/dbraw/zinc/74/52/57/653745257.db2.gz DPKFUSDFHLWQDY-INIZCTEOSA-N 1 0 385.302 2.100 20 0 GEADRO COC(=O)N1CC([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819178322 653745418 /nfs/dbraw/zinc/74/54/18/653745418.db2.gz UWNYSMDAJIQQRO-AWEZNQCLSA-N 1 0 377.666 2.350 20 0 GEADRO CN(CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)S(=O)(=O)c1cccs1 ZINC000819180743 653745584 /nfs/dbraw/zinc/74/55/84/653745584.db2.gz XKOSGZFMTRKZSL-AWEZNQCLSA-N 1 0 392.905 2.484 20 0 GEADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842154056 653746894 /nfs/dbraw/zinc/74/68/94/653746894.db2.gz ZGBIBSBMTZCAPY-KDOFPFPSSA-N 1 0 379.913 2.348 20 0 GEADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc(F)cn2)CCN1c1cccc(Br)c1 ZINC000819267115 653747567 /nfs/dbraw/zinc/74/75/67/653747567.db2.gz JNNNKVRBYGPPHS-CVEARBPZSA-N 1 0 394.244 2.412 20 0 GEADRO C[C@H](NC(=O)NCCOCC[NH+](C)C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000788019383 653747606 /nfs/dbraw/zinc/74/76/06/653747606.db2.gz SQHKLGXOOLUCGD-XHDPSFHLSA-N 1 0 378.300 2.293 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCC1 ZINC000819276794 653747804 /nfs/dbraw/zinc/74/78/04/653747804.db2.gz SLBNCEMIKYBKIB-ZDUSSCGKSA-N 1 0 380.279 2.179 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cn2ccc(Br)cc2=O)C1 ZINC000864888082 653747915 /nfs/dbraw/zinc/74/79/15/653747915.db2.gz UIXVEPJZHMLMTN-HUUCEWRRSA-N 1 0 398.345 2.485 20 0 GEADRO CC1CCC2(CC1)OC[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)O2 ZINC000842206665 653748216 /nfs/dbraw/zinc/74/82/16/653748216.db2.gz HWTSIQMRBWOHKO-TVIZTDCDSA-N 1 0 388.917 2.399 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000819304334 653748664 /nfs/dbraw/zinc/74/86/64/653748664.db2.gz TWNIMWKTMRHEMW-CZUORRHYSA-N 1 0 384.498 2.221 20 0 GEADRO CC(=O)N[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000864963794 653749748 /nfs/dbraw/zinc/74/97/48/653749748.db2.gz ZISYTJCEYIDFBW-SUMWQHHRSA-N 1 0 394.313 2.227 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C(F)(F)c1ccccc1Br ZINC000842249772 653749728 /nfs/dbraw/zinc/74/97/28/653749728.db2.gz DUDVBCKUGGRFHD-CQSZACIVSA-N 1 0 379.245 2.360 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000788123896 653750306 /nfs/dbraw/zinc/75/03/06/653750306.db2.gz XHRYRRATMIIPFK-OLZOCXBDSA-N 1 0 386.901 2.374 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000881926370 653750712 /nfs/dbraw/zinc/75/07/12/653750712.db2.gz FAEOGJLRXHMAMH-IQMFZBJNSA-N 1 0 377.576 2.079 20 0 GEADRO C[NH+](C)CCN(C(=O)c1cccn2c(I)cnc12)C1CC1 ZINC000788150181 653750773 /nfs/dbraw/zinc/75/07/73/653750773.db2.gz SHZJXCVIXNWNTQ-UHFFFAOYSA-N 1 0 398.248 2.105 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Br)cn3ccnc23)n1 ZINC000865059896 653752400 /nfs/dbraw/zinc/75/24/00/653752400.db2.gz KNANBMXHXXGEJG-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc(Br)[nH]n3)c2)CC1 ZINC000788285965 653753726 /nfs/dbraw/zinc/75/37/26/653753726.db2.gz BOJUVVQDTJGUSN-UHFFFAOYSA-N 1 0 378.274 2.172 20 0 GEADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000865212333 653757256 /nfs/dbraw/zinc/75/72/56/653757256.db2.gz IFDNYIFJHDNQRT-SNVBAGLBSA-N 1 0 382.898 2.376 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(Cl)cc1Cl ZINC000842480238 653757747 /nfs/dbraw/zinc/75/77/47/653757747.db2.gz RCDNITJTARXEAZ-IUCAKERBSA-N 1 0 381.281 2.186 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000842480462 653757755 /nfs/dbraw/zinc/75/77/55/653757755.db2.gz XDUALUDQURFLPP-UHFFFAOYSA-N 1 0 381.267 2.017 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000865264103 653758364 /nfs/dbraw/zinc/75/83/64/653758364.db2.gz BKGPSHVVYQFXAG-ZBFHGGJFSA-N 1 0 383.583 2.142 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000842484872 653758451 /nfs/dbraw/zinc/75/84/51/653758451.db2.gz BCLLLOSULPWPCH-KBPBESRZSA-N 1 0 394.324 2.295 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1Br ZINC000842485700 653758649 /nfs/dbraw/zinc/75/86/49/653758649.db2.gz QHPFZPBMTCPXJB-OAHLLOKOSA-N 1 0 389.315 2.364 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842485480 653758669 /nfs/dbraw/zinc/75/86/69/653758669.db2.gz VGFKVHGEXFSJJF-HNNXBMFYSA-N 1 0 389.315 2.364 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000882036340 653758698 /nfs/dbraw/zinc/75/86/98/653758698.db2.gz XANKWGSJBWIVFP-SNVBAGLBSA-N 1 0 397.239 2.489 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000842486231 653758783 /nfs/dbraw/zinc/75/87/83/653758783.db2.gz VCRLWNMJOXGROM-SMDDNHRTSA-N 1 0 394.324 2.295 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cc(Br)cnc3Cl)C2)nn1 ZINC000842510535 653759171 /nfs/dbraw/zinc/75/91/71/653759171.db2.gz RPIQQXNXOBCIBN-LLVKDONJSA-N 1 0 399.680 2.025 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cc(Br)ncc3Cl)C2)nn1 ZINC000842509408 653759210 /nfs/dbraw/zinc/75/92/10/653759210.db2.gz JHTBUOULEXLBRC-SNVBAGLBSA-N 1 0 399.680 2.025 20 0 GEADRO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000788561675 653759783 /nfs/dbraw/zinc/75/97/83/653759783.db2.gz GVBRXXPBCLUFTJ-WFASDCNBSA-N 1 0 381.270 2.331 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1Cl ZINC000788597688 653760338 /nfs/dbraw/zinc/76/03/38/653760338.db2.gz VBGYVQSHJZTFOH-MNOVXSKESA-N 1 0 392.930 2.402 20 0 GEADRO Cc1nc2[nH]c(SCC(=O)NC3CC[NH+](C)CC3)nc2cc1Br ZINC000865360780 653762418 /nfs/dbraw/zinc/76/24/18/653762418.db2.gz KCCXXUFIGMLCRO-UHFFFAOYSA-N 1 0 398.330 2.331 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNCc2cc(Br)cnc2Cl)C1 ZINC000842676854 653762548 /nfs/dbraw/zinc/76/25/48/653762548.db2.gz OHFJYWVYQCECGL-LLVKDONJSA-N 1 0 389.725 2.175 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccnc1I ZINC000819922332 653762678 /nfs/dbraw/zinc/76/26/78/653762678.db2.gz AYMZVTJBJCYORK-NSHDSACASA-N 1 0 387.265 2.489 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cnc1Cl ZINC000842688149 653762971 /nfs/dbraw/zinc/76/29/71/653762971.db2.gz ALSQZLOORKKEQP-SKDRFNHKSA-N 1 0 396.738 2.305 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)[C@H](O)c1c(F)cccc1Cl ZINC000842687460 653763090 /nfs/dbraw/zinc/76/30/90/653763090.db2.gz ZIQCIIPWHMJLRL-FVMDXXJSSA-N 1 0 390.839 2.477 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2cc(Br)cnc2Cl)O1 ZINC000842695760 653763219 /nfs/dbraw/zinc/76/32/19/653763219.db2.gz XBLFXOBUKTWJRH-NEPJUHHUSA-N 1 0 376.682 2.223 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(Br)cnc1Cl ZINC000842692232 653763256 /nfs/dbraw/zinc/76/32/56/653763256.db2.gz CQTGLGUQYAITQW-LLVKDONJSA-N 1 0 382.711 2.011 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cnc1Cl ZINC000842702437 653763725 /nfs/dbraw/zinc/76/37/25/653763725.db2.gz HXDDNKPHKWPOCW-BXKDBHETSA-N 1 0 396.738 2.305 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])ccc1Br ZINC000842723155 653764745 /nfs/dbraw/zinc/76/47/45/653764745.db2.gz ZEHHSADTJAZMLO-ZUZCIYMTSA-N 1 0 389.315 2.400 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000842727209 653764965 /nfs/dbraw/zinc/76/49/65/653764965.db2.gz VXAQTQDTFLBRMM-VHSXEESVSA-N 1 0 395.294 2.345 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000842732787 653765105 /nfs/dbraw/zinc/76/51/05/653765105.db2.gz WLQYWSPUEBNEJL-NEPJUHHUSA-N 1 0 381.885 2.412 20 0 GEADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000842742100 653765559 /nfs/dbraw/zinc/76/55/59/653765559.db2.gz JBFAJDFADVQBKP-YHWZYXNKSA-N 1 0 383.901 2.258 20 0 GEADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000865474362 653766435 /nfs/dbraw/zinc/76/64/35/653766435.db2.gz CYJUCEVUEDIMGD-CQSZACIVSA-N 1 0 380.290 2.345 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CC(C)(C)S(C)(=O)=O)CC(F)(F)F ZINC000865483981 653766521 /nfs/dbraw/zinc/76/65/21/653766521.db2.gz YONSLDHFHXRSHH-JTQLQIEISA-N 1 0 376.441 2.245 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1Br ZINC000842788430 653767432 /nfs/dbraw/zinc/76/74/32/653767432.db2.gz HVSOXSSBAMQWJG-KOLCDFICSA-N 1 0 375.288 2.010 20 0 GEADRO COc1ccc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c(Br)c1 ZINC000842796660 653767935 /nfs/dbraw/zinc/76/79/35/653767935.db2.gz CPMQKPVLTLLJJV-UHFFFAOYSA-N 1 0 375.288 2.006 20 0 GEADRO OCCCC[NH+]1CCN(c2nc(-c3ccc(Br)cc3)no2)CC1 ZINC000865555975 653768297 /nfs/dbraw/zinc/76/82/97/653768297.db2.gz NUCVBLWYWVTPNB-UHFFFAOYSA-N 1 0 381.274 2.394 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(c2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865571808 653768820 /nfs/dbraw/zinc/76/88/20/653768820.db2.gz WEQAAHOBDOSAGX-LBPRGKRZSA-N 1 0 376.320 2.017 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1Br ZINC000842814060 653769240 /nfs/dbraw/zinc/76/92/40/653769240.db2.gz DTKPBANYBIQTNP-ONGXEEELSA-N 1 0 375.288 2.071 20 0 GEADRO C[C@@]1(CNS(=O)(=O)c2cc(Br)cnc2Cl)CCC[NH2+]C1 ZINC000842827139 653769781 /nfs/dbraw/zinc/76/97/81/653769781.db2.gz POOZBUOYDTZHHU-GFCCVEGCSA-N 1 0 382.711 2.166 20 0 GEADRO CC(=O)N[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000865607951 653769880 /nfs/dbraw/zinc/76/98/80/653769880.db2.gz CHARMMRVSPCUQY-CZUORRHYSA-N 1 0 382.302 2.084 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2c(I)cnn2C)C1 ZINC000842829125 653769962 /nfs/dbraw/zinc/76/99/62/653769962.db2.gz HNPJCVYKNXPPRK-NSHDSACASA-N 1 0 391.253 2.302 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842849548 653770432 /nfs/dbraw/zinc/77/04/32/653770432.db2.gz AMHBQUOVOOWVTQ-ZDUSSCGKSA-N 1 0 394.722 2.262 20 0 GEADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000842851321 653770438 /nfs/dbraw/zinc/77/04/38/653770438.db2.gz FNXSSTAVOWQELF-XTXQVDMPSA-N 1 0 397.850 2.066 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)cnc3Br)[C@@H]2C1 ZINC000820271710 653770642 /nfs/dbraw/zinc/77/06/42/653770642.db2.gz HIGMNAKQHYOPQS-GZMMTYOYSA-N 1 0 389.091 2.383 20 0 GEADRO Brc1ncccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000865644889 653770821 /nfs/dbraw/zinc/77/08/21/653770821.db2.gz XYIQSXSEXYHQLV-INIZCTEOSA-N 1 0 377.286 2.230 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@H]1CCSC1 ZINC000865654039 653771177 /nfs/dbraw/zinc/77/11/77/653771177.db2.gz FKPAGSLTAABPHT-STQMWFEESA-N 1 0 377.963 2.437 20 0 GEADRO O=S(=O)(c1cncc(Br)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842875750 653771522 /nfs/dbraw/zinc/77/15/22/653771522.db2.gz OKHLYTRIXRLEFK-CHWSQXEVSA-N 1 0 388.331 2.244 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000842892066 653772311 /nfs/dbraw/zinc/77/23/11/653772311.db2.gz CQXLGISLZRMYJF-STQMWFEESA-N 1 0 386.901 2.137 20 0 GEADRO C[NH+](C)CCCNC(=S)N1CCN(c2cccc(Br)c2)CC1 ZINC000789372480 653772740 /nfs/dbraw/zinc/77/27/40/653772740.db2.gz PRBSYCHQRFQXEQ-UHFFFAOYSA-N 1 0 385.375 2.397 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(c2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865727832 653773015 /nfs/dbraw/zinc/77/30/15/653773015.db2.gz IZCKZPYBCPTKLX-GFCCVEGCSA-N 1 0 376.320 2.017 20 0 GEADRO COc1nc(Br)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000789384862 653773441 /nfs/dbraw/zinc/77/34/41/653773441.db2.gz QBWBNRWTQJSCGI-UHFFFAOYSA-N 1 0 399.289 2.181 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842918662 653773647 /nfs/dbraw/zinc/77/36/47/653773647.db2.gz HBLRADKAPUQFHI-UHFFFAOYSA-N 1 0 382.404 2.289 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccnc2Br)[C@@H](O)C1 ZINC000865747610 653773828 /nfs/dbraw/zinc/77/38/28/653773828.db2.gz 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OC[C@@H](CN1CCCCC1)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843112267 653779771 /nfs/dbraw/zinc/77/97/71/653779771.db2.gz FJOSYRQCZFVGPV-CZUORRHYSA-N 1 0 375.282 2.058 20 0 GEADRO Cc1cc(NC(=O)c2cc(N)nc(Br)c2)n(C2CC[NH+](C)CC2)n1 ZINC000820668849 653779868 /nfs/dbraw/zinc/77/98/68/653779868.db2.gz DKLQBHJEOGOFIK-UHFFFAOYSA-N 1 0 393.289 2.450 20 0 GEADRO CON(C)S(=O)(=O)c1cc(-c2nc(C3CC[NH2+]CC3)no2)ccc1Cl ZINC000843136165 653780293 /nfs/dbraw/zinc/78/02/93/653780293.db2.gz DLHRQSZVUUSLEV-UHFFFAOYSA-N 1 0 386.861 2.039 20 0 GEADRO O=C1COc2cc(-c3nc(C4CC[NH2+]CC4)no3)c(Br)cc2N1 ZINC000843139947 653780533 /nfs/dbraw/zinc/78/05/33/653780533.db2.gz OZIPMEMIFUYKMB-UHFFFAOYSA-N 1 0 379.214 2.297 20 0 GEADRO O=C(NCCc1nc(C2CC[NH2+]CC2)no1)c1ccc(Br)cc1 ZINC000843136633 653780547 /nfs/dbraw/zinc/78/05/47/653780547.db2.gz IERGXSUAPVAGEL-UHFFFAOYSA-N 1 0 379.258 2.272 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000820729361 653781315 /nfs/dbraw/zinc/78/13/15/653781315.db2.gz YCEKYAWJXZVTBS-TZMCWYRMSA-N 1 0 380.286 2.428 20 0 GEADRO F[C@]1(c2nc(-c3ccc4ncc(I)n4c3)no2)CC[NH2+]C1 ZINC000843225427 653781942 /nfs/dbraw/zinc/78/19/42/653781942.db2.gz ZWIYZMFRRDRSML-CYBMUJFWSA-N 1 0 399.167 2.147 20 0 GEADRO [NH3+][C@H]1C[C@@H](c2nc(-c3ccc4ncc(I)n4c3)no2)C1 ZINC000843224556 653781970 /nfs/dbraw/zinc/78/19/70/653781970.db2.gz PPCDLDFYUKHSRU-DTORHVGOSA-N 1 0 381.177 2.194 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000843261932 653782305 /nfs/dbraw/zinc/78/23/05/653782305.db2.gz OHMQAYPIRCCGKZ-UHFFFAOYSA-N 1 0 390.709 2.354 20 0 GEADRO COc1cc(CNC(=S)NC2CC[NH+](C)CC2)c(Br)cc1O ZINC000843287631 653783202 /nfs/dbraw/zinc/78/32/02/653783202.db2.gz ZYINZIZYMZJKMB-UHFFFAOYSA-N 1 0 388.331 2.222 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000882491356 653784867 /nfs/dbraw/zinc/78/48/67/653784867.db2.gz GFJKNVLFQMCZEQ-HZPDHXFCSA-N 1 0 394.313 2.151 20 0 GEADRO CC(C)n1ncc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1I ZINC000866067989 653784985 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O=C(N1CC[C@]2(C1)CCC[NH2+]C2)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000843473620 653787729 /nfs/dbraw/zinc/78/77/29/653787729.db2.gz IOZPVJJRPBWZQJ-QGZVFWFLSA-N 1 0 382.913 2.248 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)ccc1F ZINC000790191996 653787841 /nfs/dbraw/zinc/78/78/41/653787841.db2.gz PGWCONSJCRDCPP-AWEZNQCLSA-N 1 0 376.881 2.401 20 0 GEADRO O=C(/C=C\c1ccc(I)o1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843478242 653787970 /nfs/dbraw/zinc/78/79/70/653787970.db2.gz WFPOFFGFHTVNJX-QTLSWZBMSA-N 1 0 386.233 2.500 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000843502769 653788480 /nfs/dbraw/zinc/78/84/80/653788480.db2.gz FSYQPLCWDFGACL-CHWSQXEVSA-N 1 0 387.933 2.370 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000843502755 653788485 /nfs/dbraw/zinc/78/84/85/653788485.db2.gz FRBIEKGTSPUXBN-QWHCGFSZSA-N 1 0 387.933 2.370 20 0 GEADRO [NH3+]CCCCCCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000843509359 653788844 /nfs/dbraw/zinc/78/88/44/653788844.db2.gz KDNXYKMBBPEJCL-CYBMUJFWSA-N 1 0 382.302 2.437 20 0 GEADRO COC1CC[NH+](CCNC(=O)c2nc(Br)sc2Cl)CC1 ZINC000866416143 653793905 /nfs/dbraw/zinc/79/39/05/653793905.db2.gz NXHWBPTZGJUYBP-UHFFFAOYSA-N 1 0 382.711 2.400 20 0 GEADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866425270 653794565 /nfs/dbraw/zinc/79/45/65/653794565.db2.gz LANBIYWMYIFBAD-DEOSSOPVSA-N 1 0 381.523 2.240 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866450796 653796281 /nfs/dbraw/zinc/79/62/81/653796281.db2.gz ZTCOGJBYUCLONC-UHOFOFEASA-N 1 0 392.518 2.344 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(c3cnn(CC(F)(F)F)c(=O)c3Br)CC[C@@H]21 ZINC000882699107 653798702 /nfs/dbraw/zinc/79/87/02/653798702.db2.gz NHFNGEWZDLUQBZ-UWVGGRQHSA-N 1 0 395.223 2.099 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1(C)C ZINC000790854213 653799173 /nfs/dbraw/zinc/79/91/73/653799173.db2.gz RVSYIYQAHXZABC-CJNGLKHVSA-N 1 0 377.360 2.238 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@H]3CCc4cc(Br)ccc4C3)COCCN12 ZINC000866519219 653800245 /nfs/dbraw/zinc/80/02/45/653800245.db2.gz OHBGVQVXPSEBCQ-RDJZCZTQSA-N 1 0 381.270 2.117 20 0 GEADRO O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000866521143 653800415 /nfs/dbraw/zinc/80/04/15/653800415.db2.gz HYIDWHACXAYWNW-VYDXJSESSA-N 1 0 377.535 2.208 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@H]3CCc4c3ccc(F)c4Br)COCCN12 ZINC000866522223 653800417 /nfs/dbraw/zinc/80/04/17/653800417.db2.gz UEKXPZJRGGERHK-BBRMVZONSA-N 1 0 385.233 2.386 20 0 GEADRO Ic1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc1 ZINC000882727406 653800779 /nfs/dbraw/zinc/80/07/79/653800779.db2.gz VRNMPALKTYRPAQ-AWEZNQCLSA-N 1 0 387.265 2.424 20 0 GEADRO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(I)cc1 ZINC000866572824 653802835 /nfs/dbraw/zinc/80/28/35/653802835.db2.gz FNRQTYOZCPGZGJ-JTQLQIEISA-N 1 0 396.294 2.257 20 0 GEADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000882768939 653806093 /nfs/dbraw/zinc/80/60/93/653806093.db2.gz AISGGGQTQRXOPU-UHFFFAOYSA-N 1 0 386.901 2.360 20 0 GEADRO CCOC(=O)C1CCC([NH2+]Cc2c(I)cnn2C)CC1 ZINC000866631036 653807145 /nfs/dbraw/zinc/80/71/45/653807145.db2.gz CKYJJNOOHHDHAC-UHFFFAOYSA-N 1 0 391.253 2.236 20 0 GEADRO COc1cccc(C[C@H](C)[NH2+]Cc2c(I)cnn2C)n1 ZINC000866631833 653807231 /nfs/dbraw/zinc/80/72/31/653807231.db2.gz SCVIHALFVZQJPH-JTQLQIEISA-N 1 0 386.237 2.149 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000866656271 653808675 /nfs/dbraw/zinc/80/86/75/653808675.db2.gz YLSBHSMUWONAAR-CYBMUJFWSA-N 1 0 398.301 2.185 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1nc[nH]c1Br ZINC000882797932 653808959 /nfs/dbraw/zinc/80/89/59/653808959.db2.gz HPICMZDJEPRFAE-UHFFFAOYSA-N 1 0 379.324 2.059 20 0 GEADRO CSc1cc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)nc(SC)n1 ZINC000882813407 653810834 /nfs/dbraw/zinc/81/08/34/653810834.db2.gz MGNHNMKHRWPPAW-UHFFFAOYSA-N 1 0 381.571 2.231 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000844641549 653810860 /nfs/dbraw/zinc/81/08/60/653810860.db2.gz REAFCVAFFZXAOL-JHJVBQTASA-N 1 0 387.933 2.143 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc(N)nc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000821894966 653811468 /nfs/dbraw/zinc/81/14/68/653811468.db2.gz RENYCOLHTXCULL-RYUDHWBXSA-N 1 0 385.331 2.078 20 0 GEADRO C[C@@H](c1ccccc1Br)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707707 653813213 /nfs/dbraw/zinc/81/32/13/653813213.db2.gz BHNNEHISUYWJKH-RKLWJJNISA-N 1 0 380.286 2.377 20 0 GEADRO COCCOCC[N@H+](C)CCC(=O)N1Cc2ccc(Br)cc2C1 ZINC000821968840 653813936 /nfs/dbraw/zinc/81/39/36/653813936.db2.gz PBRVDNXDXILLCC-UHFFFAOYSA-N 1 0 385.302 2.276 20 0 GEADRO C[NH+](C)CCN1CCN(Cn2nc(-c3ccccc3)sc2=S)CC1=O ZINC000844714082 653815502 /nfs/dbraw/zinc/81/55/02/653815502.db2.gz HVIZDJSNCHRFCR-UHFFFAOYSA-N 1 0 377.539 2.004 20 0 GEADRO O=C(NCC[NH+]1CCCC1)c1ccnc(Cl)c1I ZINC000822236547 653820596 /nfs/dbraw/zinc/82/05/96/653820596.db2.gz FGJGHYHVNZSLDS-UHFFFAOYSA-N 1 0 379.629 2.165 20 0 GEADRO C[NH+](C)CCCOC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000791538180 653817184 /nfs/dbraw/zinc/81/71/84/653817184.db2.gz QJIXYSLOJUXUIG-UHFFFAOYSA-N 1 0 382.507 2.335 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000866741272 653817697 /nfs/dbraw/zinc/81/76/97/653817697.db2.gz CMJMIHBNOOYQEB-UHFFFAOYSA-N 1 0 391.331 2.489 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)c1nc(Br)ccc1F ZINC000791573904 653818213 /nfs/dbraw/zinc/81/82/13/653818213.db2.gz KCGNEEZRXVOOMZ-UHFFFAOYSA-N 1 0 376.270 2.414 20 0 GEADRO CC(C)[C@@H]([NH2+]Cc1cnc(Cl)s1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791624125 653819683 /nfs/dbraw/zinc/81/96/83/653819683.db2.gz LEADENMADHLLSB-CQSZACIVSA-N 1 0 382.921 2.107 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000822156687 653819727 /nfs/dbraw/zinc/81/97/27/653819727.db2.gz WBNODPFNCTVQOV-ZIAGYGMSSA-N 1 0 376.400 2.337 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000866757280 653820236 /nfs/dbraw/zinc/82/02/36/653820236.db2.gz OWPIOTUZAVTVPL-GHMZBOCLSA-N 1 0 377.304 2.147 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000866760406 653820685 /nfs/dbraw/zinc/82/06/85/653820685.db2.gz JSGTXKYXNNPYQV-OAHLLOKOSA-N 1 0 391.331 2.267 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866763851 653821379 /nfs/dbraw/zinc/82/13/79/653821379.db2.gz IJQALDYWKSMPKY-LLVKDONJSA-N 1 0 379.404 2.079 20 0 GEADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1nc[nH]c1Br ZINC000866769624 653822111 /nfs/dbraw/zinc/82/21/11/653822111.db2.gz NFPQGSRXLDMMIZ-UHFFFAOYSA-N 1 0 379.324 2.107 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)c1cccs1 ZINC000883055914 653824095 /nfs/dbraw/zinc/82/40/95/653824095.db2.gz WGPVSUZJSSUASH-SCZZXKLOSA-N 1 0 375.363 2.209 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)c1cccs1 ZINC000883055915 653824305 /nfs/dbraw/zinc/82/43/05/653824305.db2.gz WGPVSUZJSSUASH-WCBMZHEXSA-N 1 0 375.363 2.209 20 0 GEADRO O=S(=O)(NCc1cccc2c1CC[NH2+]C2)c1c(Cl)nc2sccn21 ZINC000866783421 653825441 /nfs/dbraw/zinc/82/54/41/653825441.db2.gz LFQOEHHCSXUCIE-UHFFFAOYSA-N 1 0 382.898 2.173 20 0 GEADRO Cn1cc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c(I)n1 ZINC000895276653 653825869 /nfs/dbraw/zinc/82/58/69/653825869.db2.gz YZXGHTDOPHNNPS-GFCCVEGCSA-N 1 0 387.196 2.257 20 0 GEADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2c(I)cnn2C)cn1 ZINC000895277249 653825894 /nfs/dbraw/zinc/82/58/94/653825894.db2.gz CQGPCMMSCFMEND-GXTWGEPZSA-N 1 0 399.280 2.259 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NCc1c(I)cnn1C ZINC000895279160 653826286 /nfs/dbraw/zinc/82/62/86/653826286.db2.gz ROQZQMARKPITNK-LBPRGKRZSA-N 1 0 376.286 2.235 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc3ccnc(Cl)c3c2)CCOCC1 ZINC000866790900 653826687 /nfs/dbraw/zinc/82/66/87/653826687.db2.gz UUVRSPJTVSEZMB-UHFFFAOYSA-N 1 0 383.901 2.277 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)cnc1Cl ZINC000866792156 653827053 /nfs/dbraw/zinc/82/70/53/653827053.db2.gz VBODFZSCWMBDGP-CYBMUJFWSA-N 1 0 394.324 2.310 20 0 GEADRO C[C@]1(Br)C[C@H]1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000895320424 653827493 /nfs/dbraw/zinc/82/74/93/653827493.db2.gz VSYUMEQXNRKNOL-ZANVPECISA-N 1 0 391.107 2.337 20 0 GEADRO C[C@]1(Br)C[C@@H]1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000895320421 653827543 /nfs/dbraw/zinc/82/75/43/653827543.db2.gz VSYUMEQXNRKNOL-RNCFNFMXSA-N 1 0 391.107 2.337 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2F)[C@@H](C)C1 ZINC000866796867 653828145 /nfs/dbraw/zinc/82/81/45/653828145.db2.gz MBJBMIKXRWOSLW-QWHCGFSZSA-N 1 0 393.912 2.289 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c(Br)c1 ZINC000866802879 653828602 /nfs/dbraw/zinc/82/86/02/653828602.db2.gz MFCOALTWONRQMA-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO C[NH+](C)CC[C@H](N)c1nc(-c2csc(I)c2)no1 ZINC000844915204 653829394 /nfs/dbraw/zinc/82/93/94/653829394.db2.gz DAUSRVJSIUPWQY-QMMMGPOBSA-N 1 0 378.239 2.354 20 0 GEADRO C[NH+](C)CC[C@@H](N)c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000844914910 653829399 /nfs/dbraw/zinc/82/93/99/653829399.db2.gz MVPXLCGFGMXZSQ-GFCCVEGCSA-N 1 0 397.273 2.146 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000866807181 653829842 /nfs/dbraw/zinc/82/98/42/653829842.db2.gz QNYYNAUFWODBHE-UMSPYCQHSA-N 1 0 377.304 2.254 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)C[C@H]1C(F)(F)F ZINC000895368774 653830129 /nfs/dbraw/zinc/83/01/29/653830129.db2.gz KUJCXAXNPZSGCX-ODXJTPSBSA-N 1 0 385.448 2.452 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866810780 653830721 /nfs/dbraw/zinc/83/07/21/653830721.db2.gz VPGYJUYNUVFNNI-SECBINFHSA-N 1 0 395.294 2.263 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](CO)CCC(C)C ZINC000883187148 653831608 /nfs/dbraw/zinc/83/16/08/653831608.db2.gz HQBNRLPJWTZTPR-KGLIPLIRSA-N 1 0 377.938 2.091 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000866815673 653831600 /nfs/dbraw/zinc/83/16/00/653831600.db2.gz SFAMDGCYPQSNBT-CQSZACIVSA-N 1 0 376.935 2.435 20 0 GEADRO Cn1nc2c(c1C[NH2+]Cc1ccnc(N3CCSCC3)c1)CSCC2 ZINC000883195060 653832101 /nfs/dbraw/zinc/83/21/01/653832101.db2.gz JYPVHEOWFCCHOW-UHFFFAOYSA-N 1 0 375.567 2.447 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866821838 653832699 /nfs/dbraw/zinc/83/26/99/653832699.db2.gz BBTSNCDRHPMEFC-KGLIPLIRSA-N 1 0 389.315 2.114 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000866821882 653832777 /nfs/dbraw/zinc/83/27/77/653832777.db2.gz ULEHSUCNRRVEFQ-UHFFFAOYSA-N 1 0 395.294 2.025 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000883244928 653832839 /nfs/dbraw/zinc/83/28/39/653832839.db2.gz ZOHZIYJPKJNLFG-KGLIPLIRSA-N 1 0 389.949 2.499 20 0 GEADRO COCCC1(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)CC[NH2+]CC1 ZINC000866822241 653832981 /nfs/dbraw/zinc/83/29/81/653832981.db2.gz ZKLNBALKDLVQSL-UHFFFAOYSA-N 1 0 380.432 2.451 20 0 GEADRO COCCC1(NS(=O)(=O)c2cccc(Br)c2F)CC[NH2+]CC1 ZINC000866822197 653833012 /nfs/dbraw/zinc/83/30/12/653833012.db2.gz YYNDEAPYISWNSO-UHFFFAOYSA-N 1 0 395.294 2.025 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)ccc1Cl ZINC000883254064 653833127 /nfs/dbraw/zinc/83/31/27/653833127.db2.gz JIAUOHZFTJAXQP-CQSZACIVSA-N 1 0 388.917 2.053 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1Cl ZINC000883253974 653833195 /nfs/dbraw/zinc/83/31/95/653833195.db2.gz HAWCQNOSJQRNOC-AWEZNQCLSA-N 1 0 388.917 2.053 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC(C)(C)CC(F)F)CC1 ZINC000883259309 653833548 /nfs/dbraw/zinc/83/35/48/653833548.db2.gz JENOMJMJSBBAJB-UHFFFAOYSA-N 1 0 378.489 2.451 20 0 GEADRO COCCC1(NS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC[NH2+]CC1 ZINC000866824397 653833518 /nfs/dbraw/zinc/83/35/18/653833518.db2.gz FGKGEWRJFAGNGA-UHFFFAOYSA-N 1 0 398.859 2.378 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CC[C@@H]1CCCS1(=O)=O)CC(F)(F)F ZINC000883296364 653834169 /nfs/dbraw/zinc/83/41/69/653834169.db2.gz LCWNLBOSRBFYFA-NEPJUHHUSA-N 1 0 388.452 2.389 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866830179 653834682 /nfs/dbraw/zinc/83/46/82/653834682.db2.gz BPUQYIYAFLJMNK-STQMWFEESA-N 1 0 389.315 2.363 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000883301108 653834861 /nfs/dbraw/zinc/83/48/61/653834861.db2.gz QACYXJLWFNDQKO-NSHDSACASA-N 1 0 376.272 2.235 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1ccccc1I ZINC000883300985 653834882 /nfs/dbraw/zinc/83/48/82/653834882.db2.gz NIYWZNBUAABCTA-GFCCVEGCSA-N 1 0 379.263 2.348 20 0 GEADRO COc1ccc(Br)cc1CN(C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895444515 653834960 /nfs/dbraw/zinc/83/49/60/653834960.db2.gz NEYJRVOLKJQMOO-OAHLLOKOSA-N 1 0 383.286 2.137 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(S(=O)(=O)CC)CC2)C[C@@H]1C(F)(F)F ZINC000895441358 653834976 /nfs/dbraw/zinc/83/49/76/653834976.db2.gz USXGAWBNADTKQQ-XQQFMLRXSA-N 1 0 385.448 2.454 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1I)c1ccccc1 ZINC000895445815 653835032 /nfs/dbraw/zinc/83/50/32/653835032.db2.gz ILQWAONOMSKWEI-GFCCVEGCSA-N 1 0 384.221 2.047 20 0 GEADRO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000883307139 653835147 /nfs/dbraw/zinc/83/51/47/653835147.db2.gz MZLIUMLBYHIXJN-YPMHNXCESA-N 1 0 381.466 2.301 20 0 GEADRO CCN1CC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000883358503 653836919 /nfs/dbraw/zinc/83/69/19/653836919.db2.gz MOVVVTIGVNELHU-IUODEOHRSA-N 1 0 384.318 2.146 20 0 GEADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000792184669 653836963 /nfs/dbraw/zinc/83/69/63/653836963.db2.gz ULMSGEICOMBKAX-UHFFFAOYSA-N 1 0 386.290 2.123 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1Br ZINC000883369438 653837754 /nfs/dbraw/zinc/83/77/54/653837754.db2.gz QUIYZLFBCUWUII-CABCVRRESA-N 1 0 389.315 2.288 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883374641 653838054 /nfs/dbraw/zinc/83/80/54/653838054.db2.gz KCSNCEVLDOEWOL-VDHUWJSZSA-N 1 0 385.551 2.245 20 0 GEADRO Cc1nc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])sc1Br ZINC000883427373 653839852 /nfs/dbraw/zinc/83/98/52/653839852.db2.gz PWNKZRZEROEIQU-NSHDSACASA-N 1 0 375.336 2.034 20 0 GEADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000883466013 653840670 /nfs/dbraw/zinc/84/06/70/653840670.db2.gz DDYFVRFZUDHASQ-JOYOIKCWSA-N 1 0 397.722 2.148 20 0 GEADRO COc1ccc(F)cc1CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000883469181 653840704 /nfs/dbraw/zinc/84/07/04/653840704.db2.gz LJEMNSCSGNGMMD-DGCLKSJQSA-N 1 0 384.395 2.123 20 0 GEADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000883468596 653840781 /nfs/dbraw/zinc/84/07/81/653840781.db2.gz WTBRNQPRLNNEGP-JTQLQIEISA-N 1 0 397.722 2.068 20 0 GEADRO Nc1nc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc(C(F)(F)C(F)(F)F)n1 ZINC000895565735 653840901 /nfs/dbraw/zinc/84/09/01/653840901.db2.gz XFNNIPDIUWHDPS-JGVFFNPUSA-N 1 0 384.378 2.100 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000866873386 653841012 /nfs/dbraw/zinc/84/10/12/653841012.db2.gz BOVIECQOBUZXBT-NSHDSACASA-N 1 0 379.320 2.217 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)cc1Br ZINC000883477982 653842015 /nfs/dbraw/zinc/84/20/15/653842015.db2.gz SMDVYRPBILUCPJ-UHFFFAOYSA-N 1 0 389.315 2.364 20 0 GEADRO CC(=O)N[C@H](C(=O)N(CC[NH+](C)C)C(C)C)c1cccc(Br)c1 ZINC000866882858 653842399 /nfs/dbraw/zinc/84/23/99/653842399.db2.gz ASJIYPPRWOEJLQ-INIZCTEOSA-N 1 0 384.318 2.425 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(Cl)nc1Cl)C2 ZINC000883481377 653842611 /nfs/dbraw/zinc/84/26/11/653842611.db2.gz JBTXEKRQIXSZNV-UHFFFAOYSA-N 1 0 379.294 2.051 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1 ZINC000883484199 653843034 /nfs/dbraw/zinc/84/30/34/653843034.db2.gz JGFZINKKGBLAOU-UHFFFAOYSA-N 1 0 377.304 2.350 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000845385921 653846180 /nfs/dbraw/zinc/84/61/80/653846180.db2.gz SWNCXGHJLZRIME-VIFPVBQESA-N 1 0 377.297 2.004 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000845385920 653846317 /nfs/dbraw/zinc/84/63/17/653846317.db2.gz SWNCXGHJLZRIME-SECBINFHSA-N 1 0 377.297 2.004 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592539 653846461 /nfs/dbraw/zinc/84/64/61/653846461.db2.gz LAAFUESEHPWMPF-JTQLQIEISA-N 1 0 383.246 2.125 20 0 GEADRO C[C@@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)[C@@H]1C[NH3+] ZINC000883592921 653846466 /nfs/dbraw/zinc/84/64/66/653846466.db2.gz XFTURHSXGVXVRF-BXKDBHETSA-N 1 0 397.273 2.371 20 0 GEADRO CC1(NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[NH2+]CC1 ZINC000883592373 653846476 /nfs/dbraw/zinc/84/64/76/653846476.db2.gz GJKBNZLSVXHQKC-UHFFFAOYSA-N 1 0 383.246 2.044 20 0 GEADRO Brc1cc(Cc2noc(C[C@@H]3CC[NH2+]C3)n2)cc2c1OCCO2 ZINC000822946319 653846733 /nfs/dbraw/zinc/84/67/33/653846733.db2.gz CFQRFAYIQQNWMO-JTQLQIEISA-N 1 0 380.242 2.346 20 0 GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000883593694 653847007 /nfs/dbraw/zinc/84/70/07/653847007.db2.gz PHOMIRPFDZTWBJ-PHIMTYICSA-N 1 0 395.257 2.138 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593782 653847120 /nfs/dbraw/zinc/84/71/20/653847120.db2.gz REKPJFJJGFRWHA-GFCCVEGCSA-N 1 0 397.273 2.242 20 0 GEADRO Nc1nc(-n2cccn2)cc(N2CCC[C@@H]2c2ncc(Br)cn2)[nH+]1 ZINC000895714062 653847319 /nfs/dbraw/zinc/84/73/19/653847319.db2.gz QTNZZNKQGLJDLP-LLVKDONJSA-N 1 0 387.245 2.139 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)Nc1c(F)cc(Cl)cc1F)C2 ZINC000883623292 653848356 /nfs/dbraw/zinc/84/83/56/653848356.db2.gz PVIMCKXAFJDSAT-UHFFFAOYSA-N 1 0 386.811 2.057 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cscc2Br)[C@H]1C[NH3+] ZINC000883639971 653849054 /nfs/dbraw/zinc/84/90/54/653849054.db2.gz CZYYTGHWUJHIGB-MFKMUULPSA-N 1 0 388.331 2.055 20 0 GEADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000895772428 653849714 /nfs/dbraw/zinc/84/97/14/653849714.db2.gz QRSFRFIVGNXJOY-CVEARBPZSA-N 1 0 379.298 2.191 20 0 GEADRO COC(OC)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000823000364 653849776 /nfs/dbraw/zinc/84/97/76/653849776.db2.gz BCTJSQVNWRFNTA-UHFFFAOYSA-N 1 0 385.302 2.491 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c(I)n1 ZINC000895806819 653850883 /nfs/dbraw/zinc/85/08/83/653850883.db2.gz IQDNQTZRNLTLKE-LBPRGKRZSA-N 1 0 375.254 2.464 20 0 GEADRO COC[C@]1(c2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)CC[NH2+]C1 ZINC000823036650 653851009 /nfs/dbraw/zinc/85/10/09/653851009.db2.gz HXNGHEFLKXEPKS-INIZCTEOSA-N 1 0 385.251 2.435 20 0 GEADRO O=C(Cc1noc([C@@H]2C[C@]23CC[NH2+]C3)n1)Nc1ccccc1Br ZINC000823075547 653852557 /nfs/dbraw/zinc/85/25/57/653852557.db2.gz SHPPQQMOYJADDH-QFYYESIMSA-N 1 0 377.242 2.480 20 0 GEADRO C[C@H](NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)C(C)(C)C[NH+](C)C ZINC000866941667 653852655 /nfs/dbraw/zinc/85/26/55/653852655.db2.gz KDPHNBQRCFWRBC-MYODQAERSA-N 1 0 379.523 2.093 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1I ZINC000895856354 653852787 /nfs/dbraw/zinc/85/27/87/653852787.db2.gz XRXSGLKDAIANJE-OUAUKWLOSA-N 1 0 390.269 2.111 20 0 GEADRO COC[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@H]1CCCOC1 ZINC000895859672 653853149 /nfs/dbraw/zinc/85/31/49/653853149.db2.gz VHKACLOUILHUML-QWHCGFSZSA-N 1 0 375.922 2.164 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCS(C)(=O)=O ZINC000792938226 653856173 /nfs/dbraw/zinc/85/61/73/653856173.db2.gz SKGGQMDPDGTBOW-LLVKDONJSA-N 1 0 381.279 2.247 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)nc1Br ZINC000792952992 653856984 /nfs/dbraw/zinc/85/69/84/653856984.db2.gz LYLHJVJYZCXUEG-OLZOCXBDSA-N 1 0 397.317 2.470 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000792962456 653857620 /nfs/dbraw/zinc/85/76/20/653857620.db2.gz HIKFCDRVLZKBCY-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000895935515 653857900 /nfs/dbraw/zinc/85/79/00/653857900.db2.gz HREQAXCHERVHKZ-SNVBAGLBSA-N 1 0 390.269 2.173 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000792968116 653858200 /nfs/dbraw/zinc/85/82/00/653858200.db2.gz GNHZYRHVUAEEEH-UHFFFAOYSA-N 1 0 397.317 2.361 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000895946045 653858269 /nfs/dbraw/zinc/85/82/69/653858269.db2.gz WUEDSOVNUVXMBB-WBMJQRKESA-N 1 0 395.297 2.377 20 0 GEADRO C[C@@H](C[NH+]1CCCC1)OC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000845671450 653858443 /nfs/dbraw/zinc/85/84/43/653858443.db2.gz BFUSNCSQSFYUHU-LBPRGKRZSA-N 1 0 394.269 2.187 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)nc1Br ZINC000792986864 653859382 /nfs/dbraw/zinc/85/93/82/653859382.db2.gz DUHVOWNHNURNBZ-ZDUSSCGKSA-N 1 0 395.301 2.035 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)n2)C1 ZINC000792994536 653859858 /nfs/dbraw/zinc/85/98/58/653859858.db2.gz FZEANWPPSZIHBI-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO COC[C@@]1(c2nc(-c3ccc(N(C)C)c(Br)c3)no2)CC[NH2+]C1 ZINC000823259967 653860039 /nfs/dbraw/zinc/86/00/39/653860039.db2.gz RXFKNUQWYJSUMY-MRXNPFEDSA-N 1 0 381.274 2.443 20 0 GEADRO [NH3+]CCCNC(=O)c1csc(I)c1Br ZINC000884008181 653860113 /nfs/dbraw/zinc/86/01/13/653860113.db2.gz FNXAJMYQJRWLQT-UHFFFAOYSA-N 1 0 389.056 2.194 20 0 GEADRO COC[C@]1(c2nc(-c3ccc(N(C)C)c(Br)c3)no2)CC[NH2+]C1 ZINC000823259964 653860089 /nfs/dbraw/zinc/86/00/89/653860089.db2.gz RXFKNUQWYJSUMY-INIZCTEOSA-N 1 0 381.274 2.443 20 0 GEADRO [NH3+]C[C@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1 ZINC000884036783 653861040 /nfs/dbraw/zinc/86/10/40/653861040.db2.gz HEAFALROJXSEDE-JTQLQIEISA-N 1 0 384.665 2.150 20 0 GEADRO COc1ccc(Br)cc1C1(c2noc(C[C@H]3COCC[NH2+]3)n2)CC1 ZINC000823295216 653861262 /nfs/dbraw/zinc/86/12/62/653861262.db2.gz DWSACRBSCVXXCO-LBPRGKRZSA-N 1 0 394.269 2.452 20 0 GEADRO O=c1cc(-c2nc(N3CC[NH2+]CC3)no2)c2cccc(Br)c2[nH]1 ZINC000823300414 653861530 /nfs/dbraw/zinc/86/15/30/653861530.db2.gz TUIUGHOKHAMMJK-UHFFFAOYSA-N 1 0 376.214 2.163 20 0 GEADRO Cc1cc(-c2nc(N3CC[NH2+]CC3)no2)nn1-c1ccc(Br)cc1 ZINC000823309171 653861918 /nfs/dbraw/zinc/86/19/18/653861918.db2.gz BCYCINPRTUBKGI-UHFFFAOYSA-N 1 0 389.257 2.403 20 0 GEADRO O=C(NCc1ccc(Br)cc1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884066306 653862091 /nfs/dbraw/zinc/86/20/91/653862091.db2.gz RUZORWRBFRUVTB-UHFFFAOYSA-N 1 0 375.270 2.184 20 0 GEADRO CCCNC(=O)C1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884066859 653862105 /nfs/dbraw/zinc/86/21/05/653862105.db2.gz LXLPMMSSNUSIOM-HNNXBMFYSA-N 1 0 382.302 2.214 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000896048157 653862199 /nfs/dbraw/zinc/86/21/99/653862199.db2.gz BOPHQMFUAVWENP-WMLDXEAASA-N 1 0 395.297 2.070 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000866995333 653862264 /nfs/dbraw/zinc/86/22/64/653862264.db2.gz CFXIEVAJNZXGMP-OIISXLGYSA-N 1 0 390.908 2.492 20 0 GEADRO CC(C)C(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884073090 653862290 /nfs/dbraw/zinc/86/22/90/653862290.db2.gz YPILBYUNHJLGQW-HNNXBMFYSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)nc1Br ZINC000793037699 653863493 /nfs/dbraw/zinc/86/34/93/653863493.db2.gz SZOONNKWTHZYBK-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO O=S(=O)(N=S1(=O)CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000867002234 653863452 /nfs/dbraw/zinc/86/34/52/653863452.db2.gz XDUSXSUCDQNOOQ-UHFFFAOYSA-N 1 0 377.576 2.081 20 0 GEADRO CC1CC[NH+](C2CCC(NS(=O)(=O)N=S3(=O)CCCC3)CC2)CC1 ZINC000867002904 653863793 /nfs/dbraw/zinc/86/37/93/653863793.db2.gz BYJJMLWVZLSEFJ-UHFFFAOYSA-N 1 0 377.576 2.126 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)nc1Br ZINC000793045842 653864136 /nfs/dbraw/zinc/86/41/36/653864136.db2.gz DLIPYRFCXOSYKB-RYUDHWBXSA-N 1 0 383.290 2.032 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000867005394 653864116 /nfs/dbraw/zinc/86/41/16/653864116.db2.gz ZBABEVHXRKLJGQ-NZEOALSQSA-N 1 0 387.571 2.239 20 0 GEADRO C[C@@H]1[C@H](COC(=O)CCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000845814061 653864312 /nfs/dbraw/zinc/86/43/12/653864312.db2.gz PRRXYIHRZABGQW-OCCSQVGLSA-N 1 0 383.286 2.452 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000884122150 653864869 /nfs/dbraw/zinc/86/48/69/653864869.db2.gz INYZMUTXPYJBEQ-SNVBAGLBSA-N 1 0 378.279 2.257 20 0 GEADRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000884139145 653865637 /nfs/dbraw/zinc/86/56/37/653865637.db2.gz KOMSRCWEYFWTSR-AWEZNQCLSA-N 1 0 376.906 2.336 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)c1ccc(Br)cc1 ZINC000884136908 653865650 /nfs/dbraw/zinc/86/56/50/653865650.db2.gz YNOBMZJRGVZUCG-HOCLYGCPSA-N 1 0 394.313 2.310 20 0 GEADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884149768 653865930 /nfs/dbraw/zinc/86/59/30/653865930.db2.gz UNKMDSUICFPMAQ-LSDHHAIUSA-N 1 0 390.933 2.314 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000884178974 653866640 /nfs/dbraw/zinc/86/66/40/653866640.db2.gz AZZDPYBWYLVEQT-CYBMUJFWSA-N 1 0 382.302 2.470 20 0 GEADRO O=C(NCC1SCCS1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000823411692 653867638 /nfs/dbraw/zinc/86/76/38/653867638.db2.gz VZOBFDSZUJBHKW-UHFFFAOYSA-N 1 0 387.493 2.089 20 0 GEADRO [NH3+][C@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccc(Br)cc1 ZINC000884195139 653867651 /nfs/dbraw/zinc/86/76/51/653867651.db2.gz CSRPHWQPDCGWIO-GJZGRUSLSA-N 1 0 390.285 2.024 20 0 GEADRO COCC[C@H]([NH3+])C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000884226941 653868564 /nfs/dbraw/zinc/86/85/64/653868564.db2.gz DUROUSUEAGXIIG-CJNGLKHVSA-N 1 0 384.318 2.018 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000884277859 653869944 /nfs/dbraw/zinc/86/99/44/653869944.db2.gz XDQQREHVJJLLPT-NHYWBVRUSA-N 1 0 381.270 2.118 20 0 GEADRO CS(=O)(=O)C1CCC(C[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000896250037 653870649 /nfs/dbraw/zinc/87/06/49/653870649.db2.gz MGLZHJXFOJIZGA-UHFFFAOYSA-N 1 0 385.551 2.184 20 0 GEADRO O=C(COCCc1ccc(Br)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000884299134 653871360 /nfs/dbraw/zinc/87/13/60/653871360.db2.gz MNWBBFZVNKZJOJ-ZDUSSCGKSA-N 1 0 377.229 2.122 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000896260887 653871380 /nfs/dbraw/zinc/87/13/80/653871380.db2.gz WOVPSLDZICKECS-NSHDSACASA-N 1 0 388.253 2.023 20 0 GEADRO [NH3+][C@H](C(=O)NCCc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000884325007 653872329 /nfs/dbraw/zinc/87/23/29/653872329.db2.gz GUIASQQXYASYBL-HNNXBMFYSA-N 1 0 375.270 2.475 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867064150 653873521 /nfs/dbraw/zinc/87/35/21/653873521.db2.gz HNLXMGMVYZUEHC-OZAJXLCCSA-N 1 0 391.534 2.189 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]Cc2ccccc2I)CCC1 ZINC000793282880 653873553 /nfs/dbraw/zinc/87/35/53/653873553.db2.gz ZSAKGVBFOSWMTM-UHFFFAOYSA-N 1 0 379.263 2.348 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000884369871 653874496 /nfs/dbraw/zinc/87/44/96/653874496.db2.gz RXJWLDYAXKLUBS-XHSDSOJGSA-N 1 0 395.297 2.292 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000823630220 653874713 /nfs/dbraw/zinc/87/47/13/653874713.db2.gz FXRKBWQTJOIGOH-BXUZGUMPSA-N 1 0 397.269 2.379 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCC2SCCS2)CC1 ZINC000823623885 653874730 /nfs/dbraw/zinc/87/47/30/653874730.db2.gz ZMMKSOHCYJQZNF-HOTGVXAUSA-N 1 0 386.631 2.383 20 0 GEADRO C[C@](O)(C(=O)N[C@@H]1CCn2cncc2C1)c1ccc(F)c(Br)c1 ZINC000823635378 653875105 /nfs/dbraw/zinc/87/51/05/653875105.db2.gz XXYSRHQQQBNSQV-BDJLRTHQSA-N 1 0 382.233 2.123 20 0 GEADRO [NH3+]CCC1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884387776 653875175 /nfs/dbraw/zinc/87/51/75/653875175.db2.gz DQKXXYGKMWEMRB-HNNXBMFYSA-N 1 0 381.270 2.118 20 0 GEADRO C[NH+](C)C1(CNC(=O)COCCc2ccc(Br)cc2)CCOCC1 ZINC000896355385 653875625 /nfs/dbraw/zinc/87/56/25/653875625.db2.gz VEKTURAGTQQFLI-UHFFFAOYSA-N 1 0 399.329 2.235 20 0 GEADRO CC(C)(C)N1C[C@@H](CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1=O ZINC000884414308 653876227 /nfs/dbraw/zinc/87/62/27/653876227.db2.gz OUHBIINOYJIVGE-IAQYHMDHSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N1CCn2ncc(Br)c2C1 ZINC000884417082 653876281 /nfs/dbraw/zinc/87/62/81/653876281.db2.gz XMWSQCZJKITDRE-CQSZACIVSA-N 1 0 389.253 2.304 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000823674190 653876521 /nfs/dbraw/zinc/87/65/21/653876521.db2.gz SQYLDRPLSRTFTB-UHFFFAOYSA-N 1 0 397.317 2.299 20 0 GEADRO CCN(C(=O)C(=O)NCC(C)(C)c1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000884511871 653879326 /nfs/dbraw/zinc/87/93/26/653879326.db2.gz RTDSDEBDBDKBJL-CYBMUJFWSA-N 1 0 396.329 2.053 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)NCc1ccsc1Br ZINC000884508048 653879383 /nfs/dbraw/zinc/87/93/83/653879383.db2.gz SUFAJUIGRCFOCP-UHFFFAOYSA-N 1 0 376.320 2.104 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000823824945 653880913 /nfs/dbraw/zinc/88/09/13/653880913.db2.gz CYTKGFIIFJNWSP-WMZOPIPTSA-N 1 0 386.945 2.303 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000793623933 653881349 /nfs/dbraw/zinc/88/13/49/653881349.db2.gz SSILCQPVNXZKIP-GFCCVEGCSA-N 1 0 391.509 2.489 20 0 GEADRO C[NH+](C)CCCN(C(=O)[C@@H](F)CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000793621118 653881388 /nfs/dbraw/zinc/88/13/88/653881388.db2.gz IKFHSIKBAYHEHT-SJORKVTESA-N 1 0 376.538 2.262 20 0 GEADRO C[C@@H](NS(=O)(=O)c1nc[nH]c1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000867119591 653882010 /nfs/dbraw/zinc/88/20/10/653882010.db2.gz GGMDCDUFYWRZMD-ZYHUDNBSSA-N 1 0 387.303 2.142 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000823881890 653882263 /nfs/dbraw/zinc/88/22/63/653882263.db2.gz FMOOUQPLFSRFMG-UHFFFAOYSA-N 1 0 376.450 2.239 20 0 GEADRO C[C@H](NC(=O)Cc1c(Cl)cccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896531760 653882377 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[NH3+][C@H](CNC(=O)C(=O)NCc1ccc2ccc(Br)cc2c1)C1CC1 ZINC000884678689 653883907 /nfs/dbraw/zinc/88/39/07/653883907.db2.gz JPDUVMKFTDBXEV-MRXNPFEDSA-N 1 0 390.281 2.072 20 0 GEADRO C[C@H](NC(=O)Cc1ccc(Br)c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896544220 653883939 /nfs/dbraw/zinc/88/39/39/653883939.db2.gz DQCYTZWIHAJXOW-XHDPSFHLSA-N 1 0 388.737 2.396 20 0 GEADRO C[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896544464 653884015 /nfs/dbraw/zinc/88/40/15/653884015.db2.gz FPZIXCRWKFXNBG-AAEUAGOBSA-N 1 0 381.933 2.166 20 0 GEADRO C[C@H](NC(=O)c1c(F)ccc(Br)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896545211 653884040 /nfs/dbraw/zinc/88/40/40/653884040.db2.gz PMKUTCLLCWMQFJ-CABZTGNLSA-N 1 0 376.245 2.091 20 0 GEADRO C[C@@H](NC(=O)c1nc2ccccc2cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896541549 653884240 /nfs/dbraw/zinc/88/42/40/653884240.db2.gz KTKMLKVJUKDHAH-WBMJQRKESA-N 1 0 391.313 2.361 20 0 GEADRO C[C@H](NC(=O)C(C)(C)c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896558820 653885493 /nfs/dbraw/zinc/88/54/93/653885493.db2.gz ZGDOMECVGSEVRT-XJKSGUPXSA-N 1 0 382.346 2.477 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884720952 653885914 /nfs/dbraw/zinc/88/59/14/653885914.db2.gz XBAKGUINNILDOI-RNCFNFMXSA-N 1 0 377.794 2.089 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884716530 653886025 /nfs/dbraw/zinc/88/60/25/653886025.db2.gz BCJPTUJKFWSPSP-NOZJJQNGSA-N 1 0 377.794 2.089 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C(F)(F)F)n1 ZINC000824100994 653886039 /nfs/dbraw/zinc/88/60/39/653886039.db2.gz BMTHROCEPKOOMJ-ZOWXZIJZSA-N 1 0 377.432 2.335 20 0 GEADRO C[C@@H](NC(=O)c1cc2c(cccc2Br)[nH]1)[C@H]1C[N@H+](C)CCN1C ZINC000896567231 653886076 /nfs/dbraw/zinc/88/60/76/653886076.db2.gz ZMRVROXOUGUABS-BDJLRTHQSA-N 1 0 379.302 2.295 20 0 GEADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1csc(I)n1 ZINC000824110740 653886230 /nfs/dbraw/zinc/88/62/30/653886230.db2.gz AZWBGTQRUREJPB-DTORHVGOSA-N 1 0 377.251 2.104 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000793838239 653886417 /nfs/dbraw/zinc/88/64/17/653886417.db2.gz HXHFFKJCYZYTSM-NSHDSACASA-N 1 0 392.541 2.451 20 0 GEADRO Cn1c(SCC(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)nnc1-c1cccs1 ZINC000793922756 653888733 /nfs/dbraw/zinc/88/87/33/653888733.db2.gz BEAFTUXYGCYPIG-OLZOCXBDSA-N 1 0 377.539 2.046 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000884783497 653889778 /nfs/dbraw/zinc/88/97/78/653889778.db2.gz YQRCWMKJQQKRQX-ZJUUUORDSA-N 1 0 398.212 2.205 20 0 GEADRO CC(C)O[C@]1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCOC1 ZINC000896668890 653889879 /nfs/dbraw/zinc/88/98/79/653889879.db2.gz MIJHHUUVUCDRGJ-INIZCTEOSA-N 1 0 375.922 2.307 20 0 GEADRO Cc1nc(N[C@@H](CCO)C(F)(F)F)cc(N[C@@H](CCO)C(F)(F)F)[nH+]1 ZINC000884835552 653890662 /nfs/dbraw/zinc/89/06/62/653890662.db2.gz UPJKGXXQDJLGBY-IUCAKERBSA-N 1 0 376.301 2.235 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000896696895 653891563 /nfs/dbraw/zinc/89/15/63/653891563.db2.gz MGVIJUJHYZGGGS-ZDUSSCGKSA-N 1 0 384.322 2.166 20 0 GEADRO O=C(CNC(=O)c1snc(Cl)c1Cl)NCC[NH+]1CCCCCC1 ZINC000846218137 653891681 /nfs/dbraw/zinc/89/16/81/653891681.db2.gz KACSVOIIHLWTAK-UHFFFAOYSA-N 1 0 379.313 2.172 20 0 GEADRO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000846228158 653891724 /nfs/dbraw/zinc/89/17/24/653891724.db2.gz JFAWGWZYSVSBNW-SSDOTTSWSA-N 1 0 375.260 2.095 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000846234341 653892442 /nfs/dbraw/zinc/89/24/42/653892442.db2.gz CZQZZNHCPCBEAZ-RTXFEEFZSA-N 1 0 394.324 2.438 20 0 GEADRO [NH3+]CCC1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000846234956 653892767 /nfs/dbraw/zinc/89/27/67/653892767.db2.gz NHBKICIGQMZIPD-UHFFFAOYSA-N 1 0 382.711 2.247 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000846234812 653892796 /nfs/dbraw/zinc/89/27/96/653892796.db2.gz LTCZGYNRDRDJFP-DDTOSNHZSA-N 1 0 394.324 2.438 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnc(Cl)c(Br)c1 ZINC000884957222 653898233 /nfs/dbraw/zinc/89/82/33/653898233.db2.gz MTEHNHUBXKKDPN-ZJUUUORDSA-N 1 0 394.722 2.403 20 0 GEADRO C[N@H+](CCc1ccccc1)CC(=O)N1CCn2ncc(Br)c2C1 ZINC000824594834 653902226 /nfs/dbraw/zinc/90/22/26/653902226.db2.gz NPZPLPOVJQCEIC-UHFFFAOYSA-N 1 0 377.286 2.162 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000867250607 653902727 /nfs/dbraw/zinc/90/27/27/653902727.db2.gz KMZYVERCVQSZSM-IXDOHACOSA-N 1 0 393.325 2.298 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1 ZINC000824604626 653902827 /nfs/dbraw/zinc/90/28/27/653902827.db2.gz AUJJOJKJPHFDEC-UHFFFAOYSA-N 1 0 387.933 2.333 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000824640018 653903801 /nfs/dbraw/zinc/90/38/01/653903801.db2.gz XIECIVKWVFECQV-GFCCVEGCSA-N 1 0 378.416 2.442 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cnn(C)c1Br ZINC000867262691 653904781 /nfs/dbraw/zinc/90/47/81/653904781.db2.gz BSDRRGDPYCQXMC-UHFFFAOYSA-N 1 0 393.351 2.069 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824678194 653905048 /nfs/dbraw/zinc/90/50/48/653905048.db2.gz OUQQFRLZXUKDAK-SOUVJXGZSA-N 1 0 377.551 2.082 20 0 GEADRO Cc1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)nc1Br ZINC000794358361 653905173 /nfs/dbraw/zinc/90/51/73/653905173.db2.gz CBMMTBJCOCKBEG-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO NS(=O)(=O)C[C@H]1CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000897058722 653905310 /nfs/dbraw/zinc/90/53/10/653905310.db2.gz RFWQSAXAEAMZAA-JTQLQIEISA-N 1 0 377.293 2.380 20 0 GEADRO Cc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)nc1Br ZINC000794361120 653905468 /nfs/dbraw/zinc/90/54/68/653905468.db2.gz SFKFAOAFOGZXMI-LBPRGKRZSA-N 1 0 384.322 2.158 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846671341 653906241 /nfs/dbraw/zinc/90/62/41/653906241.db2.gz RQNBXQQALXDYJQ-LLVKDONJSA-N 1 0 375.441 2.443 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000846681815 653906335 /nfs/dbraw/zinc/90/63/35/653906335.db2.gz XRDUUDZVWJYCIU-UHFFFAOYSA-N 1 0 376.400 2.324 20 0 GEADRO C[C@@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000897078695 653906446 /nfs/dbraw/zinc/90/64/46/653906446.db2.gz VBAQXMSTIDQFRS-HNNXBMFYSA-N 1 0 397.361 2.441 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000846696509 653906541 /nfs/dbraw/zinc/90/65/41/653906541.db2.gz VWORRNYBGYVKCF-UHFFFAOYSA-N 1 0 389.315 2.054 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)C[C@H]2CCCC(C)(C)O2)CC1 ZINC000885040810 653908447 /nfs/dbraw/zinc/90/84/47/653908447.db2.gz NMVDDHNGYYKMFY-QGZVFWFLSA-N 1 0 376.563 2.143 20 0 GEADRO CC[S@@](C)(=O)=NS(=O)(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000867283092 653908752 /nfs/dbraw/zinc/90/87/52/653908752.db2.gz DAWJAQJSBFHPLE-BXKMTCNYSA-N 1 0 387.571 2.241 20 0 GEADRO CCN(C(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[C@H]1CC[N@H+](C)C1 ZINC000824842567 653909913 /nfs/dbraw/zinc/90/99/13/653909913.db2.gz WCGKGDRLRLEUBG-WCQYABFASA-N 1 0 380.286 2.428 20 0 GEADRO COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846778743 653910430 /nfs/dbraw/zinc/91/04/30/653910430.db2.gz JXNWTAXOPPSVJD-QZTJIDSGSA-N 1 0 385.346 2.395 20 0 GEADRO CC(C)N1CC(NC(=O)c2cc(Br)ncc2Br)C1 ZINC000867524358 653945154 /nfs/dbraw/zinc/94/51/54/653945154.db2.gz RRZWGGILSXHYOS-UHFFFAOYSA-N 1 0 377.080 2.429 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000824903427 653912431 /nfs/dbraw/zinc/91/24/31/653912431.db2.gz GQMXMMAGYHBZPK-UHFFFAOYSA-N 1 0 380.279 2.272 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c(Cl)cc1Cl ZINC000867308267 653912902 /nfs/dbraw/zinc/91/29/02/653912902.db2.gz HNSPYVJKSZSRLB-ZANVPECISA-N 1 0 395.308 2.493 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000897271906 653913808 /nfs/dbraw/zinc/91/38/08/653913808.db2.gz UNYOPEDMGWWVDK-UKRRQHHQSA-N 1 0 379.364 2.440 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867320461 653915503 /nfs/dbraw/zinc/91/55/03/653915503.db2.gz FOVNJCRCTHZBDO-LBPRGKRZSA-N 1 0 382.452 2.228 20 0 GEADRO O=S(=O)(N[C@H]1CCCN(CCCO)C1)c1ccc2ccnc(Cl)c2c1 ZINC000867328455 653916559 /nfs/dbraw/zinc/91/65/59/653916559.db2.gz XPJTUIIWBOLCFK-AWEZNQCLSA-N 1 0 383.901 2.013 20 0 GEADRO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(Cl)n1 ZINC000897339642 653917028 /nfs/dbraw/zinc/91/70/28/653917028.db2.gz FGDLIRSPIZVHRO-ZDUSSCGKSA-N 1 0 380.901 2.140 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000897348227 653917318 /nfs/dbraw/zinc/91/73/18/653917318.db2.gz COSJPCDJPOOVGS-CYBMUJFWSA-N 1 0 378.274 2.183 20 0 GEADRO CCn1nc(C)c(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)n1 ZINC000825133333 653918586 /nfs/dbraw/zinc/91/85/86/653918586.db2.gz FAKGVPHJGRLXKJ-CYBMUJFWSA-N 1 0 385.281 2.449 20 0 GEADRO CS[C@@H]1CN(C(=O)c2nn3c(c2Br)CCC3)C[C@@H]1[NH+]1CCCC1 ZINC000897377241 653918575 /nfs/dbraw/zinc/91/85/75/653918575.db2.gz LSNCDVZVHRAZGP-QWHCGFSZSA-N 1 0 399.358 2.244 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000885249378 653920277 /nfs/dbraw/zinc/92/02/77/653920277.db2.gz RCJRNVIGEZLLMA-SFHVURJKSA-N 1 0 384.307 2.254 20 0 GEADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000867354343 653920711 /nfs/dbraw/zinc/92/07/11/653920711.db2.gz ZRUSYNYVQHQLRJ-HSZRJFAPSA-N 1 0 379.523 2.237 20 0 GEADRO C[C@H](NC(=O)c1c[nH]nc1I)[C@@H](c1ccccc1)[NH+](C)C ZINC000897420665 653920995 /nfs/dbraw/zinc/92/09/95/653920995.db2.gz WVSJXWNCHRMAPH-GWCFXTLKSA-N 1 0 398.248 2.436 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000897454286 653922324 /nfs/dbraw/zinc/92/23/24/653922324.db2.gz CHEIZUMOZVHSRZ-GFCCVEGCSA-N 1 0 390.347 2.356 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000897460519 653923119 /nfs/dbraw/zinc/92/31/19/653923119.db2.gz HTSCWZXPPUBMBS-BBRMVZONSA-N 1 0 384.318 2.466 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000897506075 653924880 /nfs/dbraw/zinc/92/48/80/653924880.db2.gz UHHAPPKMTCBPQO-XHDPSFHLSA-N 1 0 388.281 2.405 20 0 GEADRO Cc1cnc(Cl)c(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1 ZINC000885311406 653926133 /nfs/dbraw/zinc/92/61/33/653926133.db2.gz QGYQNFORNRFCMU-CQSZACIVSA-N 1 0 387.933 2.307 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897539370 653926206 /nfs/dbraw/zinc/92/62/06/653926206.db2.gz AGNFMGUJGXWXAS-DZKIICNBSA-N 1 0 389.949 2.235 20 0 GEADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)[C@@H](C)C1 ZINC000867394873 653926801 /nfs/dbraw/zinc/92/68/01/653926801.db2.gz GZVQWJFTUXPLRO-ZDUSSCGKSA-N 1 0 387.933 2.147 20 0 GEADRO Cn1nc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1Br ZINC000825405156 653928327 /nfs/dbraw/zinc/92/83/27/653928327.db2.gz JSLUZHHHJIQLHC-UHFFFAOYSA-N 1 0 392.301 2.182 20 0 GEADRO CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1OC ZINC000897612465 653930451 /nfs/dbraw/zinc/93/04/51/653930451.db2.gz ZEIRNPMISRQBAS-OCCSQVGLSA-N 1 0 390.933 2.494 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(-c4ccccc4Br)nn3)C2)C1 ZINC000795112526 653932190 /nfs/dbraw/zinc/93/21/90/653932190.db2.gz YTZYTRJVUGFMAH-KRWDZBQOSA-N 1 0 390.285 2.198 20 0 GEADRO CSCCNC(=S)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000795132911 653933287 /nfs/dbraw/zinc/93/32/87/653933287.db2.gz ZRGUKSYSZADXCD-GOSISDBHSA-N 1 0 378.611 2.116 20 0 GEADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897696530 653933840 /nfs/dbraw/zinc/93/38/40/653933840.db2.gz NFTGAQNMFHXTSH-CVEARBPZSA-N 1 0 380.286 2.132 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cnc(Cl)c(Br)c1 ZINC000847572351 653935075 /nfs/dbraw/zinc/93/50/75/653935075.db2.gz FCJYALGMYJMDFR-LBPRGKRZSA-N 1 0 388.693 2.481 20 0 GEADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2c(Br)c(C)nn2C)CCOCC1 ZINC000897744289 653935540 /nfs/dbraw/zinc/93/55/40/653935540.db2.gz YQGGFTJWDUSKMT-LBPRGKRZSA-N 1 0 388.306 2.329 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cnc2Br)CC1 ZINC000847576862 653935671 /nfs/dbraw/zinc/93/56/71/653935671.db2.gz ZQBSCXLZIYXFRE-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(F)c(Br)cc1F ZINC000867478036 653937929 /nfs/dbraw/zinc/93/79/29/653937929.db2.gz AOTYYUZMGPFZNW-LLVKDONJSA-N 1 0 390.272 2.483 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)N1CCCC1 ZINC000897832280 653939396 /nfs/dbraw/zinc/93/93/96/653939396.db2.gz OBCBUDJIHOIOAP-UHFFFAOYSA-N 1 0 382.917 2.100 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897847034 653940217 /nfs/dbraw/zinc/94/02/17/653940217.db2.gz QAVLYQLCHQWMGQ-ONERCXAPSA-N 1 0 381.270 2.082 20 0 GEADRO O=C(N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@]1(F)CC[NH2+]C1 ZINC000825841809 653942127 /nfs/dbraw/zinc/94/21/27/653942127.db2.gz PROPAWPDBUNEHO-AWEZNQCLSA-N 1 0 380.773 2.104 20 0 GEADRO C[NH+](C)C1(CNc2ccc(Br)cc2-c2nn[nH]n2)CCOCC1 ZINC000825850821 653942161 /nfs/dbraw/zinc/94/21/61/653942161.db2.gz SJVIARYZUVKSPZ-UHFFFAOYSA-N 1 0 381.278 2.152 20 0 GEADRO C[NH+](C)C1CCN(CCNc2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000825856114 653942547 /nfs/dbraw/zinc/94/25/47/653942547.db2.gz OETLNOXEJPARAC-UHFFFAOYSA-N 1 0 394.321 2.067 20 0 GEADRO CCN(C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C1CC[NH+](C)CC1 ZINC000897897274 653942731 /nfs/dbraw/zinc/94/27/31/653942731.db2.gz PCRNDESACOOJNE-MRXNPFEDSA-N 1 0 395.297 2.473 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCSCCC(F)(F)F)C[C@H]1C ZINC000867515945 653943415 /nfs/dbraw/zinc/94/34/15/653943415.db2.gz ZJWISWQXEYOYRV-OLZOCXBDSA-N 1 0 383.480 2.119 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1cncs1 ZINC000897929990 653944887 /nfs/dbraw/zinc/94/48/87/653944887.db2.gz GIFYQOUHSSIROC-MRVPVSSYSA-N 1 0 376.301 2.404 20 0 GEADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000897978460 653947582 /nfs/dbraw/zinc/94/75/82/653947582.db2.gz QBHMRSQKLLWIGO-BBZRCZKMSA-N 1 0 378.270 2.110 20 0 GEADRO CCN(C)c1ccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cn1 ZINC000897978623 653947688 /nfs/dbraw/zinc/94/76/88/653947688.db2.gz QJUQTKTZHYIULE-CQSZACIVSA-N 1 0 390.285 2.348 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000867536941 653947776 /nfs/dbraw/zinc/94/77/76/653947776.db2.gz AQSZJBVDCIOITR-XMMPIXPASA-N 1 0 385.555 2.100 20 0 GEADRO COC(=O)CC1CCC([NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897979069 653947982 /nfs/dbraw/zinc/94/79/82/653947982.db2.gz XHHXBUZDVWXKLW-DBRPNBKGSA-N 1 0 396.285 2.419 20 0 GEADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(Cl)nc1F ZINC000867537783 653948170 /nfs/dbraw/zinc/94/81/70/653948170.db2.gz QWXZNTNHOZIKIP-GFCCVEGCSA-N 1 0 391.896 2.138 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000867539085 653948504 /nfs/dbraw/zinc/94/85/04/653948504.db2.gz GEZQRIJMNXARKB-UPCLLVRISA-N 1 0 385.555 2.100 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C1CC(CCO)C1 ZINC000898009974 653949732 /nfs/dbraw/zinc/94/97/32/653949732.db2.gz DAAJWLFVQIQNHP-BZUNDVKYSA-N 1 0 385.302 2.213 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000898036331 653950409 /nfs/dbraw/zinc/95/04/09/653950409.db2.gz CGEDGHKKLJNDND-DGCLKSJQSA-N 1 0 380.286 2.475 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC000898068985 653951816 /nfs/dbraw/zinc/95/18/16/653951816.db2.gz UDMVSFPJIRTXSO-MRXNPFEDSA-N 1 0 386.283 2.007 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C(F)(F)c1cccc(Br)c1 ZINC000898068306 653951898 /nfs/dbraw/zinc/95/18/98/653951898.db2.gz MRLVBRMYYIHRAW-AWEZNQCLSA-N 1 0 379.245 2.360 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1cc(Br)ccc1Cl ZINC000898067824 653951943 /nfs/dbraw/zinc/95/19/43/653951943.db2.gz IMPQRXGMIRBAOB-HNNXBMFYSA-N 1 0 377.710 2.464 20 0 GEADRO O=C(c1cnc(CCC(F)(F)F)s1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000826570660 653953637 /nfs/dbraw/zinc/95/36/37/653953637.db2.gz UOBCSGFTDHRAOC-GFCCVEGCSA-N 1 0 377.432 2.309 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1nc(F)ccc1Br ZINC000847969620 653953653 /nfs/dbraw/zinc/95/36/53/653953653.db2.gz UEUBORUARUDHAY-LLVKDONJSA-N 1 0 386.265 2.309 20 0 GEADRO O=C(COc1ccc(Br)cc1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898123566 653954698 /nfs/dbraw/zinc/95/46/98/653954698.db2.gz ZTLWGYPEYCGQDZ-UHFFFAOYSA-N 1 0 397.313 2.181 20 0 GEADRO COc1sc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1Br ZINC000898155323 653955925 /nfs/dbraw/zinc/95/59/25/653955925.db2.gz NXCNFWQHDYHECQ-SECBINFHSA-N 1 0 385.287 2.383 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000867582301 653956348 /nfs/dbraw/zinc/95/63/48/653956348.db2.gz SYICIVIGOQBLGB-MRXNPFEDSA-N 1 0 382.517 2.432 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000867583253 653956696 /nfs/dbraw/zinc/95/66/96/653956696.db2.gz XSMQBDFFZOOSQS-UHFFFAOYSA-N 1 0 396.340 2.367 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cnn3cccc(Br)c23)CCO1 ZINC000826703209 653958300 /nfs/dbraw/zinc/95/83/00/653958300.db2.gz VRWMEHJLPAUALR-CYBMUJFWSA-N 1 0 395.301 2.280 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccnc(Cl)c2I)C1 ZINC000826721060 653958569 /nfs/dbraw/zinc/95/85/69/653958569.db2.gz ANESWWLPVIBEBX-SECBINFHSA-N 1 0 393.656 2.411 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC[NH2+]1 ZINC000826764219 653959610 /nfs/dbraw/zinc/95/96/10/653959610.db2.gz UQCFXZWUMGNREW-UKRRQHHQSA-N 1 0 380.286 2.331 20 0 GEADRO CN(c1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1)S(C)(=O)=O ZINC000898284554 653961320 /nfs/dbraw/zinc/96/13/20/653961320.db2.gz MHRDUIZKVFUYGH-UHFFFAOYSA-N 1 0 380.539 2.298 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cnc(Cl)c(Br)c1 ZINC000848159627 653961558 /nfs/dbraw/zinc/96/15/58/653961558.db2.gz DWEOHSNBSKSZEX-NSHDSACASA-N 1 0 376.682 2.074 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cn2c(Br)cnc2s1 ZINC000885885764 653961969 /nfs/dbraw/zinc/96/19/69/653961969.db2.gz KXHYTKLOEWAWAL-NSHDSACASA-N 1 0 399.314 2.141 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cn2ccc(Br)cc2n1 ZINC000885886033 653962069 /nfs/dbraw/zinc/96/20/69/653962069.db2.gz QHGIYNLXYFJHNM-AWEZNQCLSA-N 1 0 393.285 2.080 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cnn2cccc(Br)c12 ZINC000885895250 653962707 /nfs/dbraw/zinc/96/27/07/653962707.db2.gz CSIIOUIRUFUNBN-CYBMUJFWSA-N 1 0 393.285 2.080 20 0 GEADRO O=C(NCC[NH2+]CC1CCC2(CC1)OCCO2)c1ccc(Br)cn1 ZINC000826872902 653963934 /nfs/dbraw/zinc/96/39/34/653963934.db2.gz ZUWGTJSQWNOCRF-UHFFFAOYSA-N 1 0 398.301 2.097 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCCC2)c(F)cc1Cl ZINC000795774770 653965764 /nfs/dbraw/zinc/96/57/64/653965764.db2.gz ICHQYUQVJHZOEX-UHFFFAOYSA-N 1 0 378.853 2.030 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC[NH+]2CCCCCC2)c(F)cc1Cl ZINC000795781721 653966109 /nfs/dbraw/zinc/96/61/09/653966109.db2.gz HZNOJOGRQBZTRQ-UHFFFAOYSA-N 1 0 392.880 2.420 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c(F)cc1Cl ZINC000795789238 653966306 /nfs/dbraw/zinc/96/63/06/653966306.db2.gz HRNZREMEBRVMCC-UHFFFAOYSA-N 1 0 392.880 2.418 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)c(F)cc1Cl ZINC000795823613 653968347 /nfs/dbraw/zinc/96/83/47/653968347.db2.gz MCDBHOHKYWRSRK-UHFFFAOYSA-N 1 0 392.880 2.418 20 0 GEADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000898399534 653968683 /nfs/dbraw/zinc/96/86/83/653968683.db2.gz ROWCUZDTRSUCER-RUZDIDTESA-N 1 0 376.473 2.030 20 0 GEADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795829030 653968858 /nfs/dbraw/zinc/96/88/58/653968858.db2.gz INQNHQZJCVIARH-UHFFFAOYSA-N 1 0 380.869 2.276 20 0 GEADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1 ZINC000867652405 653968948 /nfs/dbraw/zinc/96/89/48/653968948.db2.gz RWTYXEIECUTTAB-UHFFFAOYSA-N 1 0 382.452 2.228 20 0 GEADRO C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CN1C(=O)OC(C)(C)C ZINC000827044394 653971848 /nfs/dbraw/zinc/97/18/48/653971848.db2.gz MFIQFNDKKGGLJU-NEPJUHHUSA-N 1 0 388.452 2.341 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000827064702 653972632 /nfs/dbraw/zinc/97/26/32/653972632.db2.gz WIARPYCVHHGSJC-QWHCGFSZSA-N 1 0 386.949 2.360 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]CCc1cccc(Cl)c1)CCS2(=O)=O ZINC000898488737 653973227 /nfs/dbraw/zinc/97/32/27/653973227.db2.gz UZNAPFXDLWQIMA-BFHRDPOASA-N 1 0 385.913 2.371 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)CCS2(=O)=O ZINC000898489414 653973401 /nfs/dbraw/zinc/97/34/01/653973401.db2.gz XPQMNEFOISOTHN-CBMUFDATSA-N 1 0 389.583 2.395 20 0 GEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848401063 653974433 /nfs/dbraw/zinc/97/44/33/653974433.db2.gz SFJXOGNSIVEJPW-CXAGYDPISA-N 1 0 386.901 2.092 20 0 GEADRO NC(=O)N1CCC([NH2+]Cc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000886310351 653977776 /nfs/dbraw/zinc/97/77/76/653977776.db2.gz KEJIXSDTABYAPH-UHFFFAOYSA-N 1 0 378.274 2.268 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C(C)C ZINC000795939300 653978475 /nfs/dbraw/zinc/97/84/75/653978475.db2.gz ADWSNYQCMKJSRG-UHFFFAOYSA-N 1 0 380.869 2.274 20 0 GEADRO CCOc1c(Cl)cc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)cc1OC ZINC000886322149 653978503 /nfs/dbraw/zinc/97/85/03/653978503.db2.gz PGXDBNVLKJQKSH-UHFFFAOYSA-N 1 0 376.906 2.261 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)c(F)cc1Cl ZINC000795941863 653979086 /nfs/dbraw/zinc/97/90/86/653979086.db2.gz FHQCYSCQMWOBDT-SNVBAGLBSA-N 1 0 378.853 2.028 20 0 GEADRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3ccc(Cl)c(S(N)(=O)=O)c3)O2)[C@H]1C ZINC000886336789 653979104 /nfs/dbraw/zinc/97/91/04/653979104.db2.gz WUYBTEGGMZVTCO-NOSGZIGASA-N 1 0 388.917 2.050 20 0 GEADRO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)O2 ZINC000886336786 653979182 /nfs/dbraw/zinc/97/91/82/653979182.db2.gz WUYBTEGGMZVTCO-CXUUEIJPSA-N 1 0 388.917 2.050 20 0 GEADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898719415 653981643 /nfs/dbraw/zinc/98/16/43/653981643.db2.gz FJISGNXZFMRWID-MRVPVSSYSA-N 1 0 389.095 2.246 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@]2(C)CC2(Br)Br)CCOCC1 ZINC000827762337 654007329 /nfs/dbraw/zinc/00/73/29/654007329.db2.gz GWYKGOPURBSGAL-LLVKDONJSA-N 1 0 398.139 2.110 20 0 GEADRO COc1cc2c(cc1C[NH2+][C@H]1CCc3ncc(Br)n3C1)OCO2 ZINC000898722951 653982415 /nfs/dbraw/zinc/98/24/15/653982415.db2.gz AQEDYNSFGWOIBL-NSHDSACASA-N 1 0 380.242 2.488 20 0 GEADRO Cn1c(=O)oc2cc(C[NH2+][C@@H]3CCc4ncc(Br)n4C3)ccc21 ZINC000898723295 653982749 /nfs/dbraw/zinc/98/27/49/653982749.db2.gz DKXKNMDGTCMGDN-LLVKDONJSA-N 1 0 377.242 2.195 20 0 GEADRO Cc1nn(C)c2ncc(C[NH2+][C@H]3CCc4ncc(Br)n4C3)cc12 ZINC000898727150 653983039 /nfs/dbraw/zinc/98/30/39/653983039.db2.gz QSIMXXNXMUCOTQ-LBPRGKRZSA-N 1 0 375.274 2.340 20 0 GEADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cnc(N3CCOCC3)s1)CC2 ZINC000898724947 653983057 /nfs/dbraw/zinc/98/30/57/653983057.db2.gz QRDLHSUTHXQBTG-LLVKDONJSA-N 1 0 398.330 2.043 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1Cl ZINC000848507917 653983496 /nfs/dbraw/zinc/98/34/96/653983496.db2.gz AWRYHCHCUGAZGM-HOTGVXAUSA-N 1 0 386.901 2.422 20 0 GEADRO Cn1c(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)cnc1Cl ZINC000848544558 653986940 /nfs/dbraw/zinc/98/69/40/653986940.db2.gz NHATXYZFUDWCCA-UHFFFAOYSA-N 1 0 382.917 2.289 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000827349116 653987241 /nfs/dbraw/zinc/98/72/41/653987241.db2.gz GMUYRNZXKBEWEV-BBRMVZONSA-N 1 0 375.296 2.380 20 0 GEADRO Cn1c(Cl)ncc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000848551052 653987335 /nfs/dbraw/zinc/98/73/35/653987335.db2.gz CDODXIDKHSPZRV-UHFFFAOYSA-N 1 0 377.297 2.185 20 0 GEADRO C[NH+](C)C[C@@H](O)CNc1nc(C(F)(F)F)ccc1I ZINC000827373284 653988353 /nfs/dbraw/zinc/98/83/53/653988353.db2.gz HYKVALXIWDFFPE-ZETCQYMHSA-N 1 0 389.159 2.039 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3F)CC[C@@H]21 ZINC000867805897 653989318 /nfs/dbraw/zinc/98/93/18/653989318.db2.gz CMCBBKLFZQAFJO-PWSUYJOCSA-N 1 0 377.279 2.303 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccc(Br)c(F)c3)CC[C@@H]21 ZINC000867806688 653989979 /nfs/dbraw/zinc/98/99/79/653989979.db2.gz HPWNRSUHXKTAEI-DOMZBBRYSA-N 1 0 391.306 2.444 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cnc(Cl)c(Br)c3)CC[C@H]21 ZINC000867806621 653990069 /nfs/dbraw/zinc/99/00/69/653990069.db2.gz GZNMAAFLNDQIDF-JOYOIKCWSA-N 1 0 394.722 2.212 20 0 GEADRO O=C(CC[NH2+]C[C@H]1CN(C2CC2)C(=O)O1)Nc1cccc(Br)c1 ZINC000848677714 653990511 /nfs/dbraw/zinc/99/05/11/653990511.db2.gz GABFVANYZYAOCF-AWEZNQCLSA-N 1 0 382.258 2.351 20 0 GEADRO O=C1O[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CN1C1CC1 ZINC000848679092 653990892 /nfs/dbraw/zinc/99/08/92/653990892.db2.gz RJLUFKGKZAHCKV-STQMWFEESA-N 1 0 375.252 2.306 20 0 GEADRO O=C(CC[NH2+]C[C@H]1CN(C2CC2)C(=O)O1)Nc1ccc(Br)cc1 ZINC000848679363 653990911 /nfs/dbraw/zinc/99/09/11/653990911.db2.gz UTILTSPNHIVFSP-AWEZNQCLSA-N 1 0 382.258 2.351 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1Cl ZINC000867811891 653991452 /nfs/dbraw/zinc/99/14/52/653991452.db2.gz HAZOBAIDAIOHHT-NHYWBVRUSA-N 1 0 389.880 2.152 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000867813395 653991675 /nfs/dbraw/zinc/99/16/75/653991675.db2.gz VPKUXJLXOGOZKQ-RISCZKNCSA-N 1 0 389.315 2.172 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000867813394 653991764 /nfs/dbraw/zinc/99/17/64/653991764.db2.gz VPKUXJLXOGOZKQ-FZMZJTMJSA-N 1 0 389.315 2.172 20 0 GEADRO CCn1cc(Br)cc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827463217 653993328 /nfs/dbraw/zinc/99/33/28/653993328.db2.gz YYDVDWVRJOHZGE-UHFFFAOYSA-N 1 0 383.334 2.123 20 0 GEADRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)C1 ZINC000796284014 653994807 /nfs/dbraw/zinc/99/48/07/653994807.db2.gz ITJALQOKAWGICX-YOEHRIQHSA-N 1 0 384.270 2.482 20 0 GEADRO CC(C)[C@H]1CN(C(=O)c2csc(I)n2)CC[N@@H+]1C ZINC000827490607 653994830 /nfs/dbraw/zinc/99/48/30/653994830.db2.gz AOTWNRXJQLLWDW-SNVBAGLBSA-N 1 0 379.267 2.160 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000867833371 653995323 /nfs/dbraw/zinc/99/53/23/653995323.db2.gz BRBLSSBKXWOHSQ-UHFFFAOYSA-N 1 0 386.233 2.078 20 0 GEADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1c(Cl)nc3cc(Cl)ccn31)CC2 ZINC000796325494 653995809 /nfs/dbraw/zinc/99/58/09/653995809.db2.gz VKDHJOIVPAKGOR-LLVKDONJSA-N 1 0 381.267 2.484 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000796522413 653999854 /nfs/dbraw/zinc/99/98/54/653999854.db2.gz UZAWVRSTFBYWLY-LSDHHAIUSA-N 1 0 388.965 2.169 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCc2cc(F)cc(Br)c2C1 ZINC000899150940 654001698 /nfs/dbraw/zinc/00/16/98/654001698.db2.gz NEBALXLYXVZQAT-AWEZNQCLSA-N 1 0 383.261 2.194 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000899155487 654001723 /nfs/dbraw/zinc/00/17/23/654001723.db2.gz DOLRDOVNOHYHAG-NSHDSACASA-N 1 0 379.448 2.060 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)c2c[nH]nc2I)CC1 ZINC000899168775 654002399 /nfs/dbraw/zinc/00/23/99/654002399.db2.gz HFHBPBFUKIQLTR-UHFFFAOYSA-N 1 0 390.269 2.255 20 0 GEADRO [NH2+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)Nc1ccccn1 ZINC000849050723 654003621 /nfs/dbraw/zinc/00/36/21/654003621.db2.gz FZGBQIFSALEIIB-UHFFFAOYSA-N 1 0 388.280 2.303 20 0 GEADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)C1C[NH+](C2CCOCC2)C1 ZINC000899192993 654003710 /nfs/dbraw/zinc/00/37/10/654003710.db2.gz PLENOUGDBKGZRT-UHFFFAOYSA-N 1 0 377.794 2.481 20 0 GEADRO CCNC(=[NH2+])NC[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000849095678 654004005 /nfs/dbraw/zinc/00/40/05/654004005.db2.gz JDBAIGAVRMWXFR-AWEZNQCLSA-N 1 0 386.281 2.389 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)n1 ZINC000899212378 654004699 /nfs/dbraw/zinc/00/46/99/654004699.db2.gz PTDKXEFUUHMFJD-UHFFFAOYSA-N 1 0 382.302 2.119 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=[NH2+])N2CCSCC2)cc1Br ZINC000849115452 654005249 /nfs/dbraw/zinc/00/52/49/654005249.db2.gz USBZXVIZZJGPPF-CQSZACIVSA-N 1 0 386.359 2.482 20 0 GEADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000886891935 654007297 /nfs/dbraw/zinc/00/72/97/654007297.db2.gz LHYUKABMTWKXJL-OCCSQVGLSA-N 1 0 376.906 2.126 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1C(F)(F)F ZINC000886896287 654007532 /nfs/dbraw/zinc/00/75/32/654007532.db2.gz DVMXWEBQSXTFKX-MRVPVSSYSA-N 1 0 376.322 2.368 20 0 GEADRO Cn1ncc(S(=O)(=O)N(CC[NH3+])Cc2cccc(Cl)c2)c1C(F)(F)F ZINC000886894488 654007563 /nfs/dbraw/zinc/00/75/63/654007563.db2.gz RFRMJGDHKCXROH-UHFFFAOYSA-N 1 0 396.822 2.242 20 0 GEADRO COC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)[C@H]1CCCOC1 ZINC000886905189 654008949 /nfs/dbraw/zinc/00/89/49/654008949.db2.gz BAUHYWZZPNXUEA-LXZKKBNFSA-N 1 0 388.302 2.220 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849240636 654009041 /nfs/dbraw/zinc/00/90/41/654009041.db2.gz JPSHWYKGDXVFPW-GFCCVEGCSA-N 1 0 379.306 2.342 20 0 GEADRO C[NH+](C)CCNC(=S)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000849273884 654009684 /nfs/dbraw/zinc/00/96/84/654009684.db2.gz ZXUXITBWQCPVEY-KOLCDFICSA-N 1 0 399.196 2.250 20 0 GEADRO CS(=O)(=O)c1cc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1Cl ZINC000886948788 654010308 /nfs/dbraw/zinc/01/03/08/654010308.db2.gz RUXCBJNWQYWISX-SECBINFHSA-N 1 0 381.832 2.110 20 0 GEADRO COc1cc(I)ccc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000867959671 654010825 /nfs/dbraw/zinc/01/08/25/654010825.db2.gz AJYXXNGINCAVJM-UHFFFAOYSA-N 1 0 376.238 2.357 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000867959013 654010834 /nfs/dbraw/zinc/01/08/34/654010834.db2.gz LNJCCICWOGXMOW-GWCFXTLKSA-N 1 0 394.235 2.449 20 0 GEADRO N[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1cccc(Br)c1 ZINC000867961446 654011084 /nfs/dbraw/zinc/01/10/84/654011084.db2.gz WUIBANLOSVGXMR-QGZVFWFLSA-N 1 0 396.329 2.020 20 0 GEADRO CC(C)n1ncc(C(=O)NCC2(C)CC[NH2+]CC2)c1I ZINC000867967602 654011704 /nfs/dbraw/zinc/01/17/04/654011704.db2.gz JNDUKIYZJXYKQC-UHFFFAOYSA-N 1 0 390.269 2.188 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1I ZINC000867973190 654012286 /nfs/dbraw/zinc/01/22/86/654012286.db2.gz STJJRZSLRWKYTD-LLVKDONJSA-N 1 0 390.269 2.187 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886984159 654012340 /nfs/dbraw/zinc/01/23/40/654012340.db2.gz SIMGPHAHBDNDHY-UHFFFAOYSA-N 1 0 388.265 2.491 20 0 GEADRO Cc1nc(Br)sc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000827909770 654012586 /nfs/dbraw/zinc/01/25/86/654012586.db2.gz XQEGIEYTCGDILE-LBPRGKRZSA-N 1 0 387.347 2.066 20 0 GEADRO C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000867984229 654013116 /nfs/dbraw/zinc/01/31/16/654013116.db2.gz VNHXJOZRCWHNRE-BCUIYNNISA-N 1 0 384.318 2.063 20 0 GEADRO CC(C)n1ncc(C(=O)NC2(C[NH+](C)C)CCC2)c1I ZINC000868020423 654014639 /nfs/dbraw/zinc/01/46/39/654014639.db2.gz DJTFLMCUUGGPOX-UHFFFAOYSA-N 1 0 390.269 2.283 20 0 GEADRO CC(=O)N[C@H](C(=O)NC1(C[NH+](C)C)CCC1)c1cccc(Br)c1 ZINC000868020447 654014643 /nfs/dbraw/zinc/01/46/43/654014643.db2.gz GJOHJBHTSFBMHP-HNNXBMFYSA-N 1 0 382.302 2.227 20 0 GEADRO CCN(C(=O)C(=O)Nc1cccc2c(Br)ccnc12)[C@@H]1CC[NH2+]C1 ZINC000887007914 654014695 /nfs/dbraw/zinc/01/46/95/654014695.db2.gz VYSLVAWEYDJUDN-LLVKDONJSA-N 1 0 391.269 2.146 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000887008053 654014700 /nfs/dbraw/zinc/01/47/00/654014700.db2.gz ZFFKHLPUIQYVHI-MRVPVSSYSA-N 1 0 392.656 2.391 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F)[C@@H]1CC[NH2+]C1 ZINC000887007888 654014764 /nfs/dbraw/zinc/01/47/64/654014764.db2.gz VBSAGTWYZSYDBX-MRVPVSSYSA-N 1 0 392.656 2.391 20 0 GEADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000827982612 654014932 /nfs/dbraw/zinc/01/49/32/654014932.db2.gz ARXRLCOUIZQOFK-LOWVWBTDSA-N 1 0 378.270 2.180 20 0 GEADRO C[NH+](C)[C@@]1(CN2C(=O)N[C@H](c3ccccc3Br)C2=O)CCSC1 ZINC000849352181 654015429 /nfs/dbraw/zinc/01/54/29/654015429.db2.gz RJEXRXFTWLRRKN-CZUORRHYSA-N 1 0 398.326 2.479 20 0 GEADRO COCCC1(NC(=O)[C@H](C)Oc2cccc(Br)c2)CC[NH2+]CC1 ZINC000868039590 654015420 /nfs/dbraw/zinc/01/54/20/654015420.db2.gz DRUPMROYXGESAC-ZDUSSCGKSA-N 1 0 385.302 2.491 20 0 GEADRO CN1CCn2nc(NC(=O)c3sc4c(c3Br)CNC4)cc2C1 ZINC000868038034 654015451 /nfs/dbraw/zinc/01/54/51/654015451.db2.gz LHOJNSOCHSMDBY-UHFFFAOYSA-N 1 0 382.287 2.008 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CN1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000849354303 654015492 /nfs/dbraw/zinc/01/54/92/654015492.db2.gz QCXKHNJWBKCAME-SWLSCSKDSA-N 1 0 396.285 2.153 20 0 GEADRO COCCC1(NC(=O)c2cc(Br)cc3c2OCCO3)CC[NH2+]CC1 ZINC000868043822 654015711 /nfs/dbraw/zinc/01/57/11/654015711.db2.gz VBFHHKPUCNKEGD-UHFFFAOYSA-N 1 0 399.285 2.109 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000887034371 654015917 /nfs/dbraw/zinc/01/59/17/654015917.db2.gz RVOVVZPMRCYQTE-SECBINFHSA-N 1 0 386.449 2.171 20 0 GEADRO COCCC1(NC(=O)Cc2cc(OC)ccc2Br)CC[NH2+]CC1 ZINC000868045375 654016123 /nfs/dbraw/zinc/01/61/23/654016123.db2.gz YQJKHWYIMYIHIC-UHFFFAOYSA-N 1 0 385.302 2.275 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000887040438 654016161 /nfs/dbraw/zinc/01/61/61/654016161.db2.gz CLFUIAJMUATTTA-QGZVFWFLSA-N 1 0 395.301 2.083 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000868129471 654019497 /nfs/dbraw/zinc/01/94/97/654019497.db2.gz ZOWJJHFJSAIPBV-LJGSYFOKSA-N 1 0 381.164 2.428 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868156074 654021053 /nfs/dbraw/zinc/02/10/53/654021053.db2.gz UXBFEHYECADZEN-STQMWFEESA-N 1 0 391.273 2.388 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1Br ZINC000868159510 654021327 /nfs/dbraw/zinc/02/13/27/654021327.db2.gz XZULUPIUMVTOCN-AAEUAGOBSA-N 1 0 381.274 2.167 20 0 GEADRO C[NH+](C)CCNC(=S)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000899681703 654027566 /nfs/dbraw/zinc/02/75/66/654027566.db2.gz VHHAFULYQPODPE-UHFFFAOYSA-N 1 0 375.460 2.037 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)CCS2 ZINC000899681993 654027636 /nfs/dbraw/zinc/02/76/36/654027636.db2.gz FIJIXDZEOLHGHC-FVRSWCFKSA-N 1 0 387.615 2.256 20 0 GEADRO COc1ccc(Cl)cc1C(F)(F)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000828195330 654028262 /nfs/dbraw/zinc/02/82/62/654028262.db2.gz CTRYITJCHCXUGE-UHFFFAOYSA-N 1 0 376.831 2.356 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000868303769 654029055 /nfs/dbraw/zinc/02/90/55/654029055.db2.gz NVORIHVSTKVDKE-KNVOCYPGSA-N 1 0 378.629 2.034 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000868304558 654029447 /nfs/dbraw/zinc/02/94/47/654029447.db2.gz QLPWUBOPTULQLB-CZMCAQCFSA-N 1 0 379.766 2.073 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)ccc1Br ZINC000868305879 654029657 /nfs/dbraw/zinc/02/96/57/654029657.db2.gz JTNZFAPLDMFWJN-XYPYZODXSA-N 1 0 384.274 2.028 20 0 GEADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCC[N@H+](C)CCO ZINC000899726012 654030008 /nfs/dbraw/zinc/03/00/08/654030008.db2.gz FILDFCHHBBZEMF-UHFFFAOYSA-N 1 0 385.295 2.201 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)ccc1Br ZINC000868313295 654030357 /nfs/dbraw/zinc/03/03/57/654030357.db2.gz ZWPUPZDIJMINBN-QGZVFWFLSA-N 1 0 397.317 2.315 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000868314681 654030443 /nfs/dbraw/zinc/03/04/43/654030443.db2.gz VSMSCUOYSSBFPJ-QGZVFWFLSA-N 1 0 397.317 2.315 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)ncc1Br ZINC000868312606 654030488 /nfs/dbraw/zinc/03/04/88/654030488.db2.gz SULMEKQJWUHBHL-QGZVFWFLSA-N 1 0 397.317 2.315 20 0 GEADRO COCC[NH2+]CCc1cn([C@H]2CCOc3ccc(Br)cc32)nn1 ZINC000899738954 654031001 /nfs/dbraw/zinc/03/10/01/654031001.db2.gz ONLJGNWLHUAHPJ-HNNXBMFYSA-N 1 0 381.274 2.191 20 0 GEADRO C[N@H+](CCO)CCNC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000899741637 654031283 /nfs/dbraw/zinc/03/12/83/654031283.db2.gz SUFXMPMSHOVMBT-UHFFFAOYSA-N 1 0 384.299 2.227 20 0 GEADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(N)nc(Br)c1 ZINC000899809902 654032923 /nfs/dbraw/zinc/03/29/23/654032923.db2.gz KHGSXFRFTJBIFM-NSHDSACASA-N 1 0 376.258 2.172 20 0 GEADRO [NH3+][C@H]1CCCN(Cc2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)C1 ZINC000887432124 654034548 /nfs/dbraw/zinc/03/45/48/654034548.db2.gz DZWWKCWXRUFZKW-NSHDSACASA-N 1 0 383.283 2.147 20 0 GEADRO COc1ccc(Cn2cc(CN3CCC[C@@H]([NH3+])C3)nn2)c(Br)c1 ZINC000887445076 654034768 /nfs/dbraw/zinc/03/47/68/654034768.db2.gz XNVCJSBNLXSICR-CYBMUJFWSA-N 1 0 380.290 2.021 20 0 GEADRO [NH3+][C@@H]1CCCN(Cc2cn(CCOc3ccccc3Br)nn2)C1 ZINC000887444442 654034793 /nfs/dbraw/zinc/03/47/93/654034793.db2.gz HLSJDSRGPVLCHD-CYBMUJFWSA-N 1 0 380.290 2.043 20 0 GEADRO O[C@H](C[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(O)CCOCC1 ZINC000899869917 654035179 /nfs/dbraw/zinc/03/51/79/654035179.db2.gz JQBLNVBPEWYUBV-NOOOWODRSA-N 1 0 379.341 2.388 20 0 GEADRO O=S1(=O)CC[C@@](O)(CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)C1 ZINC000899875119 654035545 /nfs/dbraw/zinc/03/55/45/654035545.db2.gz ROBTTZFABZHAAI-CQSZACIVSA-N 1 0 376.356 2.095 20 0 GEADRO Cn1ccnc1-c1nc(-c2cn(CCC[NH+]3CCSCC3)nn2)cs1 ZINC000887506241 654037524 /nfs/dbraw/zinc/03/75/24/654037524.db2.gz UOUQRBBZWHLUSO-UHFFFAOYSA-N 1 0 375.527 2.241 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(O)c3ccc(F)c(Br)c3)CC[C@@H]21 ZINC000828517614 654039516 /nfs/dbraw/zinc/03/95/16/654039516.db2.gz NJJLZWGXYYJOQL-XQAQDONZSA-N 1 0 385.277 2.348 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)ncc3Br)[C@H]2C1 ZINC000868521057 654041145 /nfs/dbraw/zinc/04/11/45/654041145.db2.gz PRFDFZGRGVPBSW-KCJUWKMLSA-N 1 0 389.091 2.383 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCCCn3cc(Br)cn3)CC[C@H]21 ZINC000868558889 654043362 /nfs/dbraw/zinc/04/33/62/654043362.db2.gz PSGIYKZQNZDIHG-UKRRQHHQSA-N 1 0 384.322 2.161 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1csc(I)n1 ZINC000828592241 654043679 /nfs/dbraw/zinc/04/36/79/654043679.db2.gz QVSJTYACFDJLJW-WPRPVWTQSA-N 1 0 379.267 2.160 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C)c1cccc(Br)c1 ZINC000868567527 654043871 /nfs/dbraw/zinc/04/38/71/654043871.db2.gz VDAMYKKXOTWTRR-XZJROXQQSA-N 1 0 382.302 2.177 20 0 GEADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Br)cn2)cn1 ZINC000849506669 654045742 /nfs/dbraw/zinc/04/57/42/654045742.db2.gz OOJOLLKFBIMREF-KBPBESRZSA-N 1 0 378.274 2.252 20 0 GEADRO N[C@@H](c1nc(C2([NH3+])CCCC2)no1)c1ccccc1I ZINC000900005575 654046412 /nfs/dbraw/zinc/04/64/12/654046412.db2.gz KCMJBFRPTOFOBI-LLVKDONJSA-N 1 0 384.221 2.450 20 0 GEADRO C[NH2+][C@@H](CNc1ncnc2c1c(Br)nn2C)Cc1ccccc1 ZINC000900019693 654046766 /nfs/dbraw/zinc/04/67/66/654046766.db2.gz DXKTXGNTDMDWHU-GFCCVEGCSA-N 1 0 375.274 2.368 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000868660008 654048817 /nfs/dbraw/zinc/04/88/17/654048817.db2.gz LZFIJZSMVKPFGE-UHFFFAOYSA-N 1 0 399.333 2.173 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)NCc2nn(C)cc2Br)CC1 ZINC000868670537 654049384 /nfs/dbraw/zinc/04/93/84/654049384.db2.gz LZGIFSOTATWJSG-UHFFFAOYSA-N 1 0 386.338 2.492 20 0 GEADRO C[C@H](CNC(=O)NCc1ncc(Br)s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000868750209 654054357 /nfs/dbraw/zinc/05/43/57/654054357.db2.gz GXZPCTKOQGNVEN-MXWKQRLJSA-N 1 0 391.335 2.203 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000798265354 654057396 /nfs/dbraw/zinc/05/73/96/654057396.db2.gz GNLOSGPQMQTSFX-CQSZACIVSA-N 1 0 387.933 2.147 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)C[C@]2(C)C1 ZINC000887922805 654058798 /nfs/dbraw/zinc/05/87/98/654058798.db2.gz CDKSHHFKJWZFAK-DIFFPNOSSA-N 1 0 381.270 2.244 20 0 GEADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900314099 654058913 /nfs/dbraw/zinc/05/89/13/654058913.db2.gz XZUFRIWLGBEYIY-UHFFFAOYSA-N 1 0 382.291 2.374 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1F ZINC000798331335 654059451 /nfs/dbraw/zinc/05/94/51/654059451.db2.gz ONZTUAYXQZAYGS-UHFFFAOYSA-N 1 0 385.848 2.440 20 0 GEADRO Cn1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(Br)n1 ZINC000829111153 654059528 /nfs/dbraw/zinc/05/95/28/654059528.db2.gz LODRMJRKLSVPJN-ZDUSSCGKSA-N 1 0 378.274 2.428 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000900343746 654059755 /nfs/dbraw/zinc/05/97/55/654059755.db2.gz FZJRVJVHEHWLIE-NEPJUHHUSA-N 1 0 380.290 2.342 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000900343751 654059820 /nfs/dbraw/zinc/05/98/20/654059820.db2.gz FZJRVJVHEHWLIE-RYUDHWBXSA-N 1 0 380.290 2.342 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000900349570 654060390 /nfs/dbraw/zinc/06/03/90/654060390.db2.gz CIFNPJSEUYLJCD-VOJFVSQTSA-N 1 0 392.297 2.270 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000900427149 654063233 /nfs/dbraw/zinc/06/32/33/654063233.db2.gz ULGPRKXQIYVHJI-GFCCVEGCSA-N 1 0 387.311 2.355 20 0 GEADRO O=C(Cc1c[nH]c2ccc(Br)cc12)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900442241 654063876 /nfs/dbraw/zinc/06/38/76/654063876.db2.gz OPERDVPMMYQLDR-LSDHHAIUSA-N 1 0 392.297 2.452 20 0 GEADRO CC(C)[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000829344969 654065251 /nfs/dbraw/zinc/06/52/51/654065251.db2.gz DZBPMAJBHLAVFQ-ZBFHGGJFSA-N 1 0 388.343 2.381 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000850067018 654066504 /nfs/dbraw/zinc/06/65/04/654066504.db2.gz XIFYVUCPGDWOPF-UHFFFAOYSA-N 1 0 398.326 2.362 20 0 GEADRO CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000900494641 654067075 /nfs/dbraw/zinc/06/70/75/654067075.db2.gz KLXJOHKYHKWRDT-UHFFFAOYSA-N 1 0 394.273 2.418 20 0 GEADRO CC(=O)Nc1ccc(Br)cc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900495299 654067147 /nfs/dbraw/zinc/06/71/47/654067147.db2.gz NBOXAIYULOSKTG-CYBMUJFWSA-N 1 0 382.258 2.067 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1nc(Br)sc1Cl)CCO2 ZINC000869114847 654069580 /nfs/dbraw/zinc/06/95/80/654069580.db2.gz JVBIZPLLSGZUHM-UHFFFAOYSA-N 1 0 394.722 2.496 20 0 GEADRO CCn1c(Br)ncc1C(=O)N(CCOC)CC[NH+](CC)CC ZINC000900586292 654071151 /nfs/dbraw/zinc/07/11/51/654071151.db2.gz CGVWPBMHZWPHNY-UHFFFAOYSA-N 1 0 375.311 2.096 20 0 GEADRO [NH3+][C@H](c1cn(Cc2noc3c2COCC3)nn1)c1ccc(Br)cc1 ZINC000900593839 654071242 /nfs/dbraw/zinc/07/12/42/654071242.db2.gz TVTVDIQQGDXNBN-INIZCTEOSA-N 1 0 390.241 2.198 20 0 GEADRO COC1CC(CC[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000850343865 654071692 /nfs/dbraw/zinc/07/16/92/654071692.db2.gz RUCGTESJJCBTHX-ROKHWSDSSA-N 1 0 375.922 2.109 20 0 GEADRO COC(=O)c1cc(Br)c(Cn2cc(C[NH2+]C3CC3)nn2)cc1OC ZINC000900596052 654072111 /nfs/dbraw/zinc/07/21/11/654072111.db2.gz ZRTDOLFNPMSITE-UHFFFAOYSA-N 1 0 395.257 2.136 20 0 GEADRO CC[C@H](COCC1CC1)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000850349180 654072248 /nfs/dbraw/zinc/07/22/48/654072248.db2.gz DNTSTYKEJPLYOT-HUUCEWRRSA-N 1 0 389.949 2.499 20 0 GEADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850349007 654072253 /nfs/dbraw/zinc/07/22/53/654072253.db2.gz XNCSSBSQHMHGKL-XMMPIXPASA-N 1 0 381.342 2.070 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H]2CCC3(COC3)O2)nn1)c1ccc(Br)cc1 ZINC000900605179 654072333 /nfs/dbraw/zinc/07/23/33/654072333.db2.gz QFXVQSBYRPCKLK-ZFWWWQNUSA-N 1 0 379.258 2.037 20 0 GEADRO CC(C)(C)n1ncc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000829566360 654072854 /nfs/dbraw/zinc/07/28/54/654072854.db2.gz SFMVRDREJKNFSO-UHFFFAOYSA-N 1 0 399.333 2.337 20 0 GEADRO COc1ccc(N2C[C@@H]([NH2+]Cc3cc(Br)nn3C)CC2=O)cc1 ZINC000850359459 654073008 /nfs/dbraw/zinc/07/30/08/654073008.db2.gz IHNDASKXCUTGOV-NSHDSACASA-N 1 0 379.258 2.086 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000900622562 654073319 /nfs/dbraw/zinc/07/33/19/654073319.db2.gz FJAZTXLLIJNNGI-MRXNPFEDSA-N 1 0 399.329 2.488 20 0 GEADRO COc1cc(I)ccc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000869190134 654075841 /nfs/dbraw/zinc/07/58/41/654075841.db2.gz YSLKSZRNKHYIQJ-KLPPZKSPSA-N 1 0 388.249 2.370 20 0 GEADRO C[NH+](C)CCC1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900695265 654076791 /nfs/dbraw/zinc/07/67/91/654076791.db2.gz OKGKZAJNCGGDSO-UHFFFAOYSA-N 1 0 380.290 2.296 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000829704496 654077344 /nfs/dbraw/zinc/07/73/44/654077344.db2.gz MIRGAOVUNCIVTE-STQMWFEESA-N 1 0 393.289 2.027 20 0 GEADRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000850490466 654078965 /nfs/dbraw/zinc/07/89/65/654078965.db2.gz BSMKWJSHYCESRJ-YPPWHJBPSA-N 1 0 378.460 2.177 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000850504688 654079644 /nfs/dbraw/zinc/07/96/44/654079644.db2.gz CPXRFZVKCQOLSM-LLVKDONJSA-N 1 0 383.290 2.019 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000850504698 654079712 /nfs/dbraw/zinc/07/97/12/654079712.db2.gz CRHWLSSUNOZHIQ-GFCCVEGCSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000850504689 654079786 /nfs/dbraw/zinc/07/97/86/654079786.db2.gz CPXRFZVKCQOLSM-NSHDSACASA-N 1 0 383.290 2.019 20 0 GEADRO OCCO[C@@]1(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)CCOC1 ZINC000850507680 654079911 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C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850519200 654081275 /nfs/dbraw/zinc/08/12/75/654081275.db2.gz INNNSYWIAFSRPZ-ZBFHGGJFSA-N 1 0 378.460 2.464 20 0 GEADRO C[C@@H](NC(=O)Cc1c[nH]c2ccc(Br)cc12)[C@@H]1C[N@H+](C)CCN1C ZINC000900805141 654081492 /nfs/dbraw/zinc/08/14/92/654081492.db2.gz OGNZCCROOKMWET-PXAZEXFGSA-N 1 0 393.329 2.223 20 0 GEADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900812170 654082499 /nfs/dbraw/zinc/08/24/99/654082499.db2.gz SKHNXSLXJUPGJD-GXSJLCMTSA-N 1 0 396.504 2.356 20 0 GEADRO CCOC(=O)[C@H]1[C@@H]([NH2+]CC2SCCS2)CCN1C(=O)OC(C)(C)C ZINC000850560052 654083111 /nfs/dbraw/zinc/08/31/11/654083111.db2.gz HZJXHOVOMCOWLD-WCQYABFASA-N 1 0 376.544 2.323 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000850584480 654083496 /nfs/dbraw/zinc/08/34/96/654083496.db2.gz NGHDAURIZXJENV-UHFFFAOYSA-N 1 0 395.294 2.487 20 0 GEADRO O=S(=O)(NC[C@H]1[NH2+]CCc2ccccc21)c1ncccc1Br ZINC000850588237 654083918 /nfs/dbraw/zinc/08/39/18/654083918.db2.gz XXUWUXIPEHZOFA-CQSZACIVSA-N 1 0 382.283 2.009 20 0 GEADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000850589087 654084167 /nfs/dbraw/zinc/08/41/67/654084167.db2.gz LMEADXHVOHJDSD-UHFFFAOYSA-N 1 0 395.710 2.108 20 0 GEADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000850589554 654084172 /nfs/dbraw/zinc/08/41/72/654084172.db2.gz NGJCSSGMIXZRBB-LBPRGKRZSA-N 1 0 388.946 2.450 20 0 GEADRO O=S(=O)(c1ccc(Br)o1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850588689 654084227 /nfs/dbraw/zinc/08/42/27/654084227.db2.gz DMJBHWQEDJZIHA-GFCCVEGCSA-N 1 0 377.304 2.442 20 0 GEADRO O=C(c1cc2ncc(Br)cn2n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000900856057 654084509 /nfs/dbraw/zinc/08/45/09/654084509.db2.gz YLZMHZODXUWFAD-ZDUSSCGKSA-N 1 0 392.301 2.440 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)nc1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000850590470 654084514 /nfs/dbraw/zinc/08/45/14/654084514.db2.gz KNJUBXVRYUOABT-HOTGVXAUSA-N 1 0 383.876 2.439 20 0 GEADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)cnc1Cl ZINC000850592584 654084734 /nfs/dbraw/zinc/08/47/34/654084734.db2.gz UOGIQKFALKWGES-JTQLQIEISA-N 1 0 394.722 2.451 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(C)nc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000850607673 654086279 /nfs/dbraw/zinc/08/62/79/654086279.db2.gz OTDQPXCRFUTSID-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1Br ZINC000869315173 654086568 /nfs/dbraw/zinc/08/65/68/654086568.db2.gz XPNOPHOQYANNNT-ZDUSSCGKSA-N 1 0 387.322 2.409 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@]1(C)CC1(Br)Br ZINC000830015714 654092304 /nfs/dbraw/zinc/09/23/04/654092304.db2.gz BTJXCQROEKINEO-HLUHBDAQSA-N 1 0 380.124 2.481 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc2c(Br)cnn2c1 ZINC000830020328 654092721 /nfs/dbraw/zinc/09/27/21/654092721.db2.gz BUGUJXRUHFQUSR-ZFWWWQNUSA-N 1 0 395.326 2.406 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2nn3c(c2Br)CCC3)C[C@H](C)O1 ZINC000900980999 654100555 /nfs/dbraw/zinc/10/05/55/654100555.db2.gz PVHVREABCMFASK-BETUJISGSA-N 1 0 399.333 2.211 20 0 GEADRO C[NH+](C)CCCN(C(=O)CC(C)(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000900979465 654100691 /nfs/dbraw/zinc/10/06/91/654100691.db2.gz CCUOTRMAADYZRG-CYBMUJFWSA-N 1 0 386.480 2.323 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000916663516 654104078 /nfs/dbraw/zinc/10/40/78/654104078.db2.gz IPHYHTRBKGSFPT-NWDGAFQWSA-N 1 0 389.315 2.030 20 0 GEADRO O=C(NCCn1cc(Br)cn1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850763719 654104917 /nfs/dbraw/zinc/10/49/17/654104917.db2.gz DVWSITWDKQZBIF-HNNXBMFYSA-N 1 0 394.273 2.128 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000850829481 654108490 /nfs/dbraw/zinc/10/84/90/654108490.db2.gz LITHZSPNQGKEFL-ZDUSSCGKSA-N 1 0 395.301 2.021 20 0 GEADRO O=C(Nc1nnc(CC(F)(F)F)s1)C1CCC([NH+]2CCOCC2)CC1 ZINC000901110304 654109533 /nfs/dbraw/zinc/10/95/33/654109533.db2.gz KSYBGIFKJRKXML-UHFFFAOYSA-N 1 0 378.420 2.472 20 0 GEADRO C[C@H](CN1CCOCC1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000916834219 654109920 /nfs/dbraw/zinc/10/99/20/654109920.db2.gz JQQHTLRLDCMDFT-CQSZACIVSA-N 1 0 379.302 2.445 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000850848914 654110094 /nfs/dbraw/zinc/11/00/94/654110094.db2.gz JEPZLJLOQDTPEO-UHFFFAOYSA-N 1 0 388.265 2.491 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000901126865 654110307 /nfs/dbraw/zinc/11/03/07/654110307.db2.gz LDPAEAMIGBONGF-UHFFFAOYSA-N 1 0 395.301 2.021 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901134289 654110847 /nfs/dbraw/zinc/11/08/47/654110847.db2.gz KYKPAUSGTMKFQH-LBPRGKRZSA-N 1 0 379.448 2.062 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000901135170 654110927 /nfs/dbraw/zinc/11/09/27/654110927.db2.gz LGFQGBKEVZOCPT-SMDDNHRTSA-N 1 0 385.295 2.061 20 0 GEADRO C[NH+](C)C1CC(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000916930325 654111466 /nfs/dbraw/zinc/11/14/66/654111466.db2.gz LRXYFHPDYUXPNM-LRVUVFPRSA-N 1 0 388.917 2.126 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000901148699 654111927 /nfs/dbraw/zinc/11/19/27/654111927.db2.gz FWOMCMUNYZWXOZ-UEKVPHQBSA-N 1 0 377.432 2.323 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901202593 654114461 /nfs/dbraw/zinc/11/44/61/654114461.db2.gz FKHBISLCFUQQBV-SJCJKPOMSA-N 1 0 387.293 2.482 20 0 GEADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC=C(Br)C2)c1 ZINC000799838337 654117247 /nfs/dbraw/zinc/11/72/47/654117247.db2.gz WIDFUKPRSQCFRK-UHFFFAOYSA-N 1 0 396.285 2.077 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC000901277298 654118247 /nfs/dbraw/zinc/11/82/47/654118247.db2.gz VUTCXWIMJJBKCW-AWEZNQCLSA-N 1 0 381.270 2.217 20 0 GEADRO CN1CCN(C(=O)CCCOc2ccccc2Br)CC[N@H+](C)CC1 ZINC000888995230 654119085 /nfs/dbraw/zinc/11/90/85/654119085.db2.gz GDSCMJHALPWDML-UHFFFAOYSA-N 1 0 398.345 2.314 20 0 GEADRO CN1CCN(C(=O)Cc2ccc(Cl)cc2Br)CC[N@H+](C)CC1 ZINC000888991336 654119375 /nfs/dbraw/zinc/11/93/75/654119375.db2.gz YSQWFNBGDVPZFA-UHFFFAOYSA-N 1 0 388.737 2.351 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1nc(Br)cs1 ZINC000869763333 654120646 /nfs/dbraw/zinc/12/06/46/654120646.db2.gz UELPWFTYWQSBRS-UHFFFAOYSA-N 1 0 376.320 2.336 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000869775028 654122055 /nfs/dbraw/zinc/12/20/55/654122055.db2.gz IZMSCWBOJZRVMP-NSHDSACASA-N 1 0 379.448 2.142 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000869779020 654122597 /nfs/dbraw/zinc/12/25/97/654122597.db2.gz PPYHBISPNLIBMS-LSDHHAIUSA-N 1 0 375.296 2.378 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCc2cc(Br)ccc2F)C1 ZINC000869779546 654122693 /nfs/dbraw/zinc/12/26/93/654122693.db2.gz XOURWCWDNHEPFZ-AWEZNQCLSA-N 1 0 387.293 2.482 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(Br)cc2F)C1 ZINC000869781692 654123695 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CC[NH+](CC)CCCOC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000800136679 654131829 /nfs/dbraw/zinc/13/18/29/654131829.db2.gz UQAJJNHLKOVQSF-UHFFFAOYSA-N 1 0 399.285 2.450 20 0 GEADRO CN(C)[C@H](CC[NH2+][C@H](C(N)=O)c1cccc(Br)c1)C(F)(F)F ZINC000901591178 654132790 /nfs/dbraw/zinc/13/27/90/654132790.db2.gz YKEZHXFKQNUASS-NEPJUHHUSA-N 1 0 382.224 2.448 20 0 GEADRO O=C(OCCC[NH+]1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000800155577 654132795 /nfs/dbraw/zinc/13/27/95/654132795.db2.gz PECMQGQOLJDPPQ-HNNXBMFYSA-N 1 0 386.539 2.320 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000889225659 654133575 /nfs/dbraw/zinc/13/35/75/654133575.db2.gz ALDKCNDLKHUSLZ-UHFFFAOYSA-N 1 0 395.297 2.460 20 0 GEADRO O=C(NCc1cc(Br)ccc1Cl)NC1CC[NH+](CCO)CC1 ZINC000917838245 654135444 /nfs/dbraw/zinc/13/54/44/654135444.db2.gz TZRHZJXWRMQTLO-UHFFFAOYSA-N 1 0 390.709 2.358 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000830687220 654136299 /nfs/dbraw/zinc/13/62/99/654136299.db2.gz BLGKQEVDDKGCNH-BDAKNGLRSA-N 1 0 382.711 2.259 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NCc1ccc(F)cc1 ZINC000901728949 654144424 /nfs/dbraw/zinc/14/44/24/654144424.db2.gz QBVAQNLKXUWRNW-SMDDNHRTSA-N 1 0 395.276 2.394 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1c[nH]nc1Cl ZINC000830817760 654145057 /nfs/dbraw/zinc/14/50/57/654145057.db2.gz GFOHIJPPLONZMY-UHFFFAOYSA-N 1 0 376.832 2.348 20 0 GEADRO C[NH+](C)Cc1ccc(C(=O)N2CC(O)(c3cccc(Br)c3)C2)cn1 ZINC000870231967 654152273 /nfs/dbraw/zinc/15/22/73/654152273.db2.gz DKPHTBSXJYDPIN-UHFFFAOYSA-N 1 0 390.281 2.249 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)C1 ZINC000889646292 654154902 /nfs/dbraw/zinc/15/49/02/654154902.db2.gz JVWMCKFTDMKGMM-OAHLLOKOSA-N 1 0 385.237 2.250 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000918693608 654158369 /nfs/dbraw/zinc/15/83/69/654158369.db2.gz LPWHNIMJOBGFKU-CQSZACIVSA-N 1 0 376.328 2.021 20 0 GEADRO O=C(NCc1ncc(Br)cn1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000889714478 654161289 /nfs/dbraw/zinc/16/12/89/654161289.db2.gz MUJPRXUPQCZUPR-CYBMUJFWSA-N 1 0 385.331 2.073 20 0 GEADRO CCCCCC[N@H+](C)CC(=O)NCc1c(I)cnn1C ZINC000831083627 654162421 /nfs/dbraw/zinc/16/24/21/654162421.db2.gz HSUCGHIZWOPFOP-UHFFFAOYSA-N 1 0 392.285 2.153 20 0 GEADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000800893962 654163970 /nfs/dbraw/zinc/16/39/70/654163970.db2.gz JXGJCEAYGPEXES-GXSJLCMTSA-N 1 0 379.288 2.044 20 0 GEADRO O=C(c1ccc(Br)c(F)c1F)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889742724 654165797 /nfs/dbraw/zinc/16/57/97/654165797.db2.gz BCGMTPGSMBWUJY-STQMWFEESA-N 1 0 389.240 2.399 20 0 GEADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000918962327 654166649 /nfs/dbraw/zinc/16/66/49/654166649.db2.gz KUSHPAJSCPLKHR-QGZVFWFLSA-N 1 0 388.917 2.010 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889748066 654166847 /nfs/dbraw/zinc/16/68/47/654166847.db2.gz DHWFMTUICYDWTP-HOTGVXAUSA-N 1 0 385.277 2.188 20 0 GEADRO C[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1(Br)Br ZINC000851639951 654167663 /nfs/dbraw/zinc/16/76/63/654167663.db2.gz VYGRYDPUKIFTAX-VDTYLAMSSA-N 1 0 382.018 2.278 20 0 GEADRO O=C(NCC[NH2+]C1CCCCCC1)N1CCn2ncc(Br)c2C1 ZINC000851662547 654168056 /nfs/dbraw/zinc/16/80/56/654168056.db2.gz DYBSVETUQDVNCI-UHFFFAOYSA-N 1 0 384.322 2.483 20 0 GEADRO O=C(c1cc(Br)c(F)cc1F)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889758117 654168820 /nfs/dbraw/zinc/16/88/20/654168820.db2.gz XSHWNKHUVHPEQU-HUUCEWRRSA-N 1 0 389.240 2.399 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851679773 654169032 /nfs/dbraw/zinc/16/90/32/654169032.db2.gz FPMUNYRYHZUCBU-NGZCFLSTSA-N 1 0 383.128 2.132 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889757373 654169053 /nfs/dbraw/zinc/16/90/53/654169053.db2.gz UUACMDHWVCVAPT-RYUDHWBXSA-N 1 0 391.509 2.366 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000889765194 654169926 /nfs/dbraw/zinc/16/99/26/654169926.db2.gz VMDGMMFSJFANBD-IRXDYDNUSA-N 1 0 397.313 2.058 20 0 GEADRO O=C(c1cc(F)c(F)cc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761761 654170000 /nfs/dbraw/zinc/17/00/00/654170000.db2.gz HKBQEDOYMIMWPL-CABCVRRESA-N 1 0 389.240 2.399 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000889770259 654171124 /nfs/dbraw/zinc/17/11/24/654171124.db2.gz QTTQMZVDVUOKSY-HOTGVXAUSA-N 1 0 383.286 2.129 20 0 GEADRO O=C(CCc1ccc(Br)cc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889769389 654171184 /nfs/dbraw/zinc/17/11/84/654171184.db2.gz TUCPNYZVYHVRBB-SJORKVTESA-N 1 0 381.314 2.439 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889768732 654171359 /nfs/dbraw/zinc/17/13/59/654171359.db2.gz PCHYKNASYVVHMZ-JQFCIGGWSA-N 1 0 397.313 2.274 20 0 GEADRO O=S(=O)([C@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1cnns1)C1CC1 ZINC000902304812 654172113 /nfs/dbraw/zinc/17/21/13/654172113.db2.gz MSWXVIXMPQXOPU-KRWDZBQOSA-N 1 0 378.523 2.107 20 0 GEADRO O=C(Cc1csc(-c2cccs2)n1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889779614 654172203 /nfs/dbraw/zinc/17/22/03/654172203.db2.gz GCEVHOCAXHPPLX-HUUCEWRRSA-N 1 0 377.535 2.472 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889781997 654172237 /nfs/dbraw/zinc/17/22/37/654172237.db2.gz PLPGKXAPKKRXEK-GJZGRUSLSA-N 1 0 383.286 2.129 20 0 GEADRO O=C(CCOc1cccc(Br)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889779765 654172463 /nfs/dbraw/zinc/17/24/63/654172463.db2.gz HFGHOEDNRVXVCK-DLBZAZTESA-N 1 0 397.313 2.276 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(CCc2cccs2)CC1 ZINC000851736927 654173217 /nfs/dbraw/zinc/17/32/17/654173217.db2.gz XYYPLUFMCSSIGX-INIZCTEOSA-N 1 0 376.459 2.493 20 0 GEADRO O=C(Nc1cccc(F)c1Br)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000889801747 654174161 /nfs/dbraw/zinc/17/41/61/654174161.db2.gz ABGBBSNVELNAGT-QWRGUYRKSA-N 1 0 384.249 2.270 20 0 GEADRO Cn1cc(I)c(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000870450275 654174933 /nfs/dbraw/zinc/17/49/33/654174933.db2.gz ITCJZWBULBAKNF-SECBINFHSA-N 1 0 377.226 2.054 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1nc(-c2ccncc2)cs1 ZINC000919249422 654175050 /nfs/dbraw/zinc/17/50/50/654175050.db2.gz LHFLCCSFFXBELF-KRWDZBQOSA-N 1 0 378.523 2.110 20 0 GEADRO Cn1nc(I)cc1C(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000870451336 654175218 /nfs/dbraw/zinc/17/52/18/654175218.db2.gz RXQFOBRMAPCBRJ-VIFPVBQESA-N 1 0 377.226 2.054 20 0 GEADRO C[C@H](C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000889812221 654175425 /nfs/dbraw/zinc/17/54/25/654175425.db2.gz SSVHOIWOAGCYLW-FBKDDSFISA-N 1 0 395.301 2.085 20 0 GEADRO NC(=O)[C@@](O)(C[N@@H+]1CCc2cccc(Br)c2C1)c1ccccc1 ZINC000851777690 654176423 /nfs/dbraw/zinc/17/64/23/654176423.db2.gz ZNXQDZAQZUNFJF-GOSISDBHSA-N 1 0 375.266 2.180 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000919405102 654179316 /nfs/dbraw/zinc/17/93/16/654179316.db2.gz YJCXPVBMHDOFKD-TZMCWYRMSA-N 1 0 381.464 2.177 20 0 GEADRO O=C1NCC2(CC[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC2)O1 ZINC000902499245 654179847 /nfs/dbraw/zinc/17/98/47/654179847.db2.gz IPKGIEQTMFAPRN-UHFFFAOYSA-N 1 0 392.253 2.296 20 0 GEADRO CC[C@@H](C[NH+](C)C)OC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000870551728 654181234 /nfs/dbraw/zinc/18/12/34/654181234.db2.gz PVGHPUPHOSSOHK-JTQLQIEISA-N 1 0 377.304 2.466 20 0 GEADRO CC(C)[C@H](C[NH+](C)C)OC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000870570529 654181605 /nfs/dbraw/zinc/18/16/05/654181605.db2.gz CPBWJBCAOSIFLW-HNNXBMFYSA-N 1 0 388.555 2.205 20 0 GEADRO CC(C)[C@H](C[NH+](C)C)OC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000870570712 654181624 /nfs/dbraw/zinc/18/16/24/654181624.db2.gz RETCDYNKVGJIKM-LBPRGKRZSA-N 1 0 375.263 2.244 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889837982 654182127 /nfs/dbraw/zinc/18/21/27/654182127.db2.gz SWNUWIYTADRATJ-UHFFFAOYSA-N 1 0 377.539 2.428 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000851842926 654189934 /nfs/dbraw/zinc/18/99/34/654189934.db2.gz UCODTARIPRNHHT-NWDGAFQWSA-N 1 0 377.403 2.131 20 0 GEADRO COc1nc(Cl)c(COC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)s1 ZINC000870695306 654190492 /nfs/dbraw/zinc/19/04/92/654190492.db2.gz KTRKKUPHLNIBQC-VIFPVBQESA-N 1 0 393.893 2.303 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCCc1sccc1Br ZINC000919740782 654191343 /nfs/dbraw/zinc/19/13/43/654191343.db2.gz QWPHNPXXXUXDEB-AWEZNQCLSA-N 1 0 393.372 2.458 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000851857326 654192753 /nfs/dbraw/zinc/19/27/53/654192753.db2.gz PYULDRBXYNHDRX-UHFFFAOYSA-N 1 0 389.949 2.441 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000851857431 654192963 /nfs/dbraw/zinc/19/29/63/654192963.db2.gz RILVEWUPQIGJLP-UHFFFAOYSA-N 1 0 391.559 2.045 20 0 GEADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)c2nonc21 ZINC000851878740 654198288 /nfs/dbraw/zinc/19/82/88/654198288.db2.gz BXTNCHFPQGYGJV-UHFFFAOYSA-N 1 0 384.889 2.277 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1 ZINC000851887712 654200439 /nfs/dbraw/zinc/20/04/39/654200439.db2.gz YFJWMLKNQFAWPJ-NSHDSACASA-N 1 0 382.313 2.120 20 0 GEADRO CCO[C@@H](CNC(=O)C(F)(F)c1ncccc1Br)C[NH+](C)C ZINC000831694370 654200584 /nfs/dbraw/zinc/20/05/84/654200584.db2.gz FXPGONYUUCUBDR-JTQLQIEISA-N 1 0 380.233 2.019 20 0 GEADRO CCO[C@H](CNC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)C[NH+](C)C ZINC000831696460 654200919 /nfs/dbraw/zinc/20/09/19/654200919.db2.gz YLDNYUHTYQHIAE-MXASKKJJSA-N 1 0 381.314 2.418 20 0 GEADRO CCO[C@H](CNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)C[NH+](C)C ZINC000831702679 654200961 /nfs/dbraw/zinc/20/09/61/654200961.db2.gz MXLUNRHQVFBXQS-XLNGHYISSA-N 1 0 381.314 2.418 20 0 GEADRO CCO[C@@H](CNC(=O)c1ccc2cncc(Br)c2n1)C[NH+](C)C ZINC000831701333 654200994 /nfs/dbraw/zinc/20/09/94/654200994.db2.gz ARXMVHWNPKELBZ-LBPRGKRZSA-N 1 0 381.274 2.089 20 0 GEADRO CCO[C@H](CNC(=O)CCc1ccc(OC)cc1Br)C[NH+](C)C ZINC000831707407 654201468 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[NH3+][C@@H](C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1cccc(Br)c1 ZINC000870885101 654202792 /nfs/dbraw/zinc/20/27/92/654202792.db2.gz BMRIQJFZCGGAPR-GOEBONIOSA-N 1 0 380.286 2.062 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CCCCC2=O)C1)c1cccc(Br)c1 ZINC000870884641 654202856 /nfs/dbraw/zinc/20/28/56/654202856.db2.gz DGIDSLJAZWDIOE-NVXWUHKLSA-N 1 0 394.313 2.452 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)c1cccc(Br)c1 ZINC000870885809 654202944 /nfs/dbraw/zinc/20/29/44/654202944.db2.gz NJAHBLNXWLMJRQ-GDBMZVCRSA-N 1 0 394.313 2.310 20 0 GEADRO NC(=O)[C@](O)(CN1CCc2cc(Br)cc(F)c2C1)c1ccccc1 ZINC000851905725 654205073 /nfs/dbraw/zinc/20/50/73/654205073.db2.gz ODQQPQCAQHSSDZ-SFHVURJKSA-N 1 0 393.256 2.319 20 0 GEADRO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]([NH3+])c1cccc(Br)c1)CC2 ZINC000870892306 654205659 /nfs/dbraw/zinc/20/56/59/654205659.db2.gz SRAXGANFAIDIDV-OAGGEKHMSA-N 1 0 397.313 2.227 20 0 GEADRO CCO[C@@H](CNC(=O)c1cc(F)ccc1I)C[NH+](C)C ZINC000831750875 654206234 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2.406 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2=O)ccc1Br ZINC000870927608 654208309 /nfs/dbraw/zinc/20/83/09/654208309.db2.gz XVTOZXVOZBHHII-XJKCOSOUSA-N 1 0 394.313 2.497 20 0 GEADRO Cn1c(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)nnc1C1CCC1 ZINC000870929979 654208330 /nfs/dbraw/zinc/20/83/30/654208330.db2.gz MQGPSRISHHVDGJ-CQSZACIVSA-N 1 0 378.274 2.161 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920281818 654208444 /nfs/dbraw/zinc/20/84/44/654208444.db2.gz HROYMYIFMKBICV-XYVMCAHJSA-N 1 0 386.945 2.406 20 0 GEADRO CCO[C@H](CNC(=O)CSc1ncnc2sc(C)c(C)c21)C[NH+](C)C ZINC000831776725 654208490 /nfs/dbraw/zinc/20/84/90/654208490.db2.gz LXBCTWKKKYQYNI-CYBMUJFWSA-N 1 0 382.555 2.483 20 0 GEADRO C[C@@H]1CN(CCN(C)C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@H](C)O1 ZINC000870926196 654208452 /nfs/dbraw/zinc/20/84/52/654208452.db2.gz WDBHDRFRRJQYHX-ZENOOKHLSA-N 1 0 384.318 2.017 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cccc(Br)c1 ZINC000870931631 654208985 /nfs/dbraw/zinc/20/89/85/654208985.db2.gz YVHIIJVBTNZOBK-BPUTZDHNSA-N 1 0 397.313 2.133 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)C2 ZINC000920281848 654209141 /nfs/dbraw/zinc/20/91/41/654209141.db2.gz IBLHIUXHQCYFTJ-HKCMKHECSA-N 1 0 378.947 2.160 20 0 GEADRO C[NH2+]CC1CCN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000870937068 654209695 /nfs/dbraw/zinc/20/96/95/654209695.db2.gz SQSXLMLKLCSFNV-MRXNPFEDSA-N 1 0 382.302 2.084 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851976871 654210130 /nfs/dbraw/zinc/21/01/30/654210130.db2.gz ZTVBKOBEOBCEFO-SGTLLEGYSA-N 1 0 393.281 2.481 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000851981461 654210318 /nfs/dbraw/zinc/21/03/18/654210318.db2.gz ZGJCICBNKPKSLG-MRXNPFEDSA-N 1 0 390.311 2.438 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851988553 654210721 /nfs/dbraw/zinc/21/07/21/654210721.db2.gz OQAPJSHIFXBEPQ-MCIONIFRSA-N 1 0 380.422 2.416 20 0 GEADRO COc1cc(I)ccc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000870945181 654211914 /nfs/dbraw/zinc/21/19/14/654211914.db2.gz PBWYLPDMUXSFCK-NSHDSACASA-N 1 0 396.175 2.027 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)C[C@@H]1C ZINC000831840069 654213209 /nfs/dbraw/zinc/21/32/09/654213209.db2.gz KJAZLIIAKZUMGP-TUAOUCFPSA-N 1 0 380.436 2.497 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)Cc3ccc(Br)cc3Cl)C[C@H]2[NH3+])cn1 ZINC000870949285 654213928 /nfs/dbraw/zinc/21/39/28/654213928.db2.gz ZDHKVQWJQMOOOV-DZGCQCFKSA-N 1 0 397.704 2.332 20 0 GEADRO FC(F)(F)c1cc(Cl)c2nnc(C[NH2+][C@@H]3CCO[C@@]34CCOC4)n2c1 ZINC000903066440 654214770 /nfs/dbraw/zinc/21/47/70/654214770.db2.gz JKOMVUFNRXIOKL-BXUZGUMPSA-N 1 0 376.766 2.439 20 0 GEADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2COc3cccc(Br)c3C2)C1(C)C ZINC000871008445 654215805 /nfs/dbraw/zinc/21/58/05/654215805.db2.gz UKEUCFZSQSJFPK-BKGUAONASA-N 1 0 397.313 2.401 20 0 GEADRO O=C(NCCC[NH2+][C@@H]1CCO[C@]12CCOC2)c1ccc(Br)cc1 ZINC000903088062 654215914 /nfs/dbraw/zinc/21/59/14/654215914.db2.gz IHRXOYNKKFFXFQ-WBVHZDCISA-N 1 0 383.286 2.107 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903088253 654215920 /nfs/dbraw/zinc/21/59/20/654215920.db2.gz YOVAVNWJMLNDPC-BXUZGUMPSA-N 1 0 381.416 2.418 20 0 GEADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000802138733 654216474 /nfs/dbraw/zinc/21/64/74/654216474.db2.gz OBKBGZZYZZKHOK-ZDUSSCGKSA-N 1 0 389.279 2.376 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903122539 654218040 /nfs/dbraw/zinc/21/80/40/654218040.db2.gz ZOPVJQQUEWTUFC-ABAIWWIYSA-N 1 0 381.416 2.418 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(F)c3Br)CC[C@@H]21 ZINC000890429949 654219636 /nfs/dbraw/zinc/21/96/36/654219636.db2.gz JYTDNSWRVAQBJC-GWCFXTLKSA-N 1 0 384.249 2.079 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000852126781 654219853 /nfs/dbraw/zinc/21/98/53/654219853.db2.gz HKGZQIUOLOTWKP-IUODEOHRSA-N 1 0 376.284 2.047 20 0 GEADRO C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CCC1(C)C ZINC000871150076 654222084 /nfs/dbraw/zinc/22/20/84/654222084.db2.gz JTBGTLJILKHBOM-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000852188192 654224128 /nfs/dbraw/zinc/22/41/28/654224128.db2.gz UPMSEJOQBRFSDL-INIZCTEOSA-N 1 0 390.311 2.437 20 0 GEADRO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903192450 654225773 /nfs/dbraw/zinc/22/57/73/654225773.db2.gz MXSXUFGVIWHMFJ-LLVKDONJSA-N 1 0 376.404 2.392 20 0 GEADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC([NH+]2CCC2)CC1 ZINC000903203071 654226013 /nfs/dbraw/zinc/22/60/13/654226013.db2.gz NIWGZZTXBGHMAV-UHFFFAOYSA-N 1 0 377.279 2.447 20 0 GEADRO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903213612 654227649 /nfs/dbraw/zinc/22/76/49/654227649.db2.gz NRNQZIHGPCYCAJ-VHSXEESVSA-N 1 0 394.324 2.160 20 0 GEADRO CC[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903214818 654228114 /nfs/dbraw/zinc/22/81/14/654228114.db2.gz VWKGZOPIYKMFKW-WFASDCNBSA-N 1 0 387.933 2.157 20 0 GEADRO CSc1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)CCC2 ZINC000903225199 654228549 /nfs/dbraw/zinc/22/85/49/654228549.db2.gz FRWIAJGBVXXLOC-OAHLLOKOSA-N 1 0 376.569 2.433 20 0 GEADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000903226344 654229008 /nfs/dbraw/zinc/22/90/08/654229008.db2.gz LKVBQUOWBWCXRJ-HNNXBMFYSA-N 1 0 378.947 2.308 20 0 GEADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOC)C[C@@H]1C ZINC000802434977 654230333 /nfs/dbraw/zinc/23/03/33/654230333.db2.gz MAQRWUMRHHJLMT-LBPRGKRZSA-N 1 0 397.321 2.213 20 0 GEADRO O=C1CCC2=C(CC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)N1 ZINC000852301938 654231267 /nfs/dbraw/zinc/23/12/67/654231267.db2.gz TXZSJIRCRIAGDW-AWEZNQCLSA-N 1 0 381.270 2.059 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@H]2CCCN3CCSC[C@H]23)ccc1S(C)(=O)=O ZINC000903271526 654232012 /nfs/dbraw/zinc/23/20/12/654232012.db2.gz MTUIEHOQTKRENG-CWRNSKLLSA-N 1 0 384.567 2.329 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCCc2ncc(Br)cc21)N1CCCC1 ZINC000903291493 654232817 /nfs/dbraw/zinc/23/28/17/654232817.db2.gz ADUHUOSQFTYOSY-AWEZNQCLSA-N 1 0 388.331 2.237 20 0 GEADRO C[C@]12CC[N@H+](C[C@H](O)Cn3cccn3)C[C@H]1C2(Br)Br ZINC000852335230 654233181 /nfs/dbraw/zinc/23/31/81/654233181.db2.gz CRRDYQGCAQNZHL-TUAOUCFPSA-N 1 0 393.123 2.072 20 0 GEADRO Cn1nnnc1CCC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000903352525 654235178 /nfs/dbraw/zinc/23/51/78/654235178.db2.gz WQXPXNDZJPYOAQ-BBRMVZONSA-N 1 0 380.290 2.273 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCS(=O)(=O)C1 ZINC000903362641 654235310 /nfs/dbraw/zinc/23/53/10/654235310.db2.gz ILNWIQIRHKERKC-CZUORRHYSA-N 1 0 388.327 2.100 20 0 GEADRO C[NH+](C)C[C@@H](NC(=S)NCCCN1CCOCC1)c1ccc(Cl)cc1 ZINC000802720719 654236184 /nfs/dbraw/zinc/23/61/84/654236184.db2.gz LOWDDEYJHKVTJW-QGZVFWFLSA-N 1 0 384.977 2.129 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CCS(=O)(=O)C1 ZINC000903367700 654236632 /nfs/dbraw/zinc/23/66/32/654236632.db2.gz JHHLFKMRDGVJLK-YVEFUNNKSA-N 1 0 381.523 2.368 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC000921167502 654237433 /nfs/dbraw/zinc/23/74/33/654237433.db2.gz QVYYRLWAZJDWCB-UHFFFAOYSA-N 1 0 380.279 2.465 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCn2ncc(Br)c2C1 ZINC000852405532 654238160 /nfs/dbraw/zinc/23/81/60/654238160.db2.gz ZGRBYISFIUNFPF-KBPBESRZSA-N 1 0 382.306 2.188 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1ccc(Cl)nc1)CCS2(=O)=O ZINC000903451292 654239550 /nfs/dbraw/zinc/23/95/50/654239550.db2.gz DZSJQMRSPOHZPQ-KTYIZKFGSA-N 1 0 386.901 2.285 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(Br)c1 ZINC000852436979 654239549 /nfs/dbraw/zinc/23/95/49/654239549.db2.gz QNZZANPZBDTQJU-CQSZACIVSA-N 1 0 382.258 2.304 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](N2CCOC2=O)C1)Nc1cccc(Br)c1 ZINC000852436978 654239830 /nfs/dbraw/zinc/23/98/30/654239830.db2.gz QNZZANPZBDTQJU-AWEZNQCLSA-N 1 0 382.258 2.304 20 0 GEADRO O=c1cc(CN[C@H]2CC[NH2+]C23CCCC3)nc2ccc(Br)cn12 ZINC000903486267 654240564 /nfs/dbraw/zinc/24/05/64/654240564.db2.gz UENHGBNUQVOTMJ-AWEZNQCLSA-N 1 0 377.286 2.221 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903486200 654240662 /nfs/dbraw/zinc/24/06/62/654240662.db2.gz HBSFBKDPYBRSLM-NEPJUHHUSA-N 1 0 384.299 2.445 20 0 GEADRO O=S(=O)(CCN[C@H]1CC[NH2+]C12CCCC2)c1cccc(Br)c1 ZINC000903483132 654240729 /nfs/dbraw/zinc/24/07/29/654240729.db2.gz DXIILPJTCMFIQG-HNNXBMFYSA-N 1 0 387.343 2.487 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000852462916 654243344 /nfs/dbraw/zinc/24/33/44/654243344.db2.gz RYZPVEXJFVDGLW-VWLOTQADSA-N 1 0 383.480 2.394 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000903513295 654244823 /nfs/dbraw/zinc/24/48/23/654244823.db2.gz GRPMRMUCDAKHIU-LBPRGKRZSA-N 1 0 377.279 2.244 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CC[C@@H]1[NH3+] ZINC000903517063 654246454 /nfs/dbraw/zinc/24/64/54/654246454.db2.gz DGQIJLHTJFZLSL-MFKMUULPSA-N 1 0 379.295 2.477 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@H](O)c2ccc(Br)cc2)nn1)C1CCOCC1 ZINC000871618333 654246565 /nfs/dbraw/zinc/24/65/65/654246565.db2.gz DEXVHUHZSJKFQC-JKSUJKDBSA-N 1 0 381.274 2.201 20 0 GEADRO Ic1cnnn1C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000852532592 654246577 /nfs/dbraw/zinc/24/65/77/654246577.db2.gz NATVICUFCDPHKM-UHFFFAOYSA-N 1 0 389.285 2.006 20 0 GEADRO CC(C)CC[C@@H](O)C[NH+]1CCC(n2nncc2I)CC1 ZINC000852533046 654246629 /nfs/dbraw/zinc/24/66/29/654246629.db2.gz RWCOMUCFVHUBFH-CYBMUJFWSA-N 1 0 392.285 2.317 20 0 GEADRO CC(C)CC[C@H](O)C[NH+]1CCC(n2nncc2I)CC1 ZINC000852533047 654246732 /nfs/dbraw/zinc/24/67/32/654246732.db2.gz RWCOMUCFVHUBFH-ZDUSSCGKSA-N 1 0 392.285 2.317 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1F ZINC000903518832 654247432 /nfs/dbraw/zinc/24/74/32/654247432.db2.gz SGGJNIHHCSWMKK-RKDXNWHRSA-N 1 0 381.267 2.016 20 0 GEADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000903522289 654248678 /nfs/dbraw/zinc/24/86/78/654248678.db2.gz CBGYEGYDQHNSJE-UHFFFAOYSA-N 1 0 376.320 2.230 20 0 GEADRO O=C(N1CCC[C@@H](C2CC[NH+](C[C@H](O)C(F)(F)F)CC2)C1)C(F)(F)F ZINC000852600044 654248844 /nfs/dbraw/zinc/24/88/44/654248844.db2.gz BXJSHDQYLSAWMY-NEPJUHHUSA-N 1 0 376.341 2.423 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000903525799 654249878 /nfs/dbraw/zinc/24/98/78/654249878.db2.gz QQECBESXWJOWAE-FZMZJTMJSA-N 1 0 391.306 2.492 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)CC1 ZINC000903526337 654250367 /nfs/dbraw/zinc/25/03/67/654250367.db2.gz CCZWBFZXQKGGQB-UHFFFAOYSA-N 1 0 389.193 2.117 20 0 GEADRO O=C(Cn1cnc2c(cnn2C2CC[NH2+]CC2)c1=O)c1ccc(Cl)s1 ZINC000871676700 654251368 /nfs/dbraw/zinc/25/13/68/654251368.db2.gz GHZZEXFEOSLQOS-UHFFFAOYSA-N 1 0 377.857 2.115 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c(Br)c1 ZINC000903537131 654251434 /nfs/dbraw/zinc/25/14/34/654251434.db2.gz OEMKYPXQPIKRGQ-IAQYHMDHSA-N 1 0 389.315 2.350 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903538747 654251760 /nfs/dbraw/zinc/25/17/60/654251760.db2.gz DKIJNJIOCVAJQB-SRVKXCTJSA-N 1 0 380.208 2.187 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903538751 654251896 /nfs/dbraw/zinc/25/18/96/654251896.db2.gz DKIJNJIOCVAJQB-UTUOFQBUSA-N 1 0 380.208 2.187 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCCN2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000903542021 654252176 /nfs/dbraw/zinc/25/21/76/654252176.db2.gz RRDHIBWRANIOBL-TVQRCGJNSA-N 1 0 394.722 2.390 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000903542798 654252582 /nfs/dbraw/zinc/25/25/82/654252582.db2.gz MIHJUYHBOSJTKX-UHFFFAOYSA-N 1 0 375.903 2.078 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544096 654252914 /nfs/dbraw/zinc/25/29/14/654252914.db2.gz GHVIQZVNBGBBIT-ZDUSSCGKSA-N 1 0 376.881 2.057 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903546211 654253309 /nfs/dbraw/zinc/25/33/09/654253309.db2.gz JJAHHFPGIXCRLL-GFCCVEGCSA-N 1 0 380.436 2.111 20 0 GEADRO O=S(=O)(c1sccc1Br)N1CC[NH2+]CCC12CCOCC2 ZINC000903547420 654253652 /nfs/dbraw/zinc/25/36/52/654253652.db2.gz LZYOODIRWTWGOW-UHFFFAOYSA-N 1 0 395.344 2.044 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c(Cl)cc1Cl ZINC000903548463 654253687 /nfs/dbraw/zinc/25/36/87/654253687.db2.gz RHRNVMQOGNPRCQ-NXEZZACHSA-N 1 0 395.308 2.304 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903556350 654255325 /nfs/dbraw/zinc/25/53/25/654255325.db2.gz VXPGVFTWNLMRAL-ZIAGYGMSSA-N 1 0 390.933 2.361 20 0 GEADRO Cc1cccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1Cl ZINC000903561049 654256216 /nfs/dbraw/zinc/25/62/16/654256216.db2.gz DFMOJYGMSNBKNO-IYBDPMFKSA-N 1 0 383.945 2.238 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)NCCCCCC2CC[NH2+]CC2)s1 ZINC000903562142 654256409 /nfs/dbraw/zinc/25/64/09/654256409.db2.gz ZLMAUEJOYAJRCS-UHFFFAOYSA-N 1 0 387.571 2.223 20 0 GEADRO [NH3+]C1CCN(CCNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000903565551 654257082 /nfs/dbraw/zinc/25/70/82/654257082.db2.gz LWNHQPQNAKOSHK-UHFFFAOYSA-N 1 0 385.839 2.060 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1Cl ZINC000903563656 654257109 /nfs/dbraw/zinc/25/71/09/654257109.db2.gz FAFMWCOXGZKEEH-BIGNPOOSSA-N 1 0 395.308 2.190 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)C[C@H]1C(F)(F)F ZINC000903572777 654258238 /nfs/dbraw/zinc/25/82/38/654258238.db2.gz DYHQLWMDYOPEGF-VXGBXAGGSA-N 1 0 379.791 2.398 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Br)C[C@H]1C(F)(F)F ZINC000903571997 654258314 /nfs/dbraw/zinc/25/83/14/654258314.db2.gz AWEPDUSUBNYSKL-VXNVDRBHSA-N 1 0 391.184 2.098 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CCO1 ZINC000852760534 654258901 /nfs/dbraw/zinc/25/89/01/654258901.db2.gz HNYHYNHBIQGTDW-OAHLLOKOSA-N 1 0 376.469 2.226 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cncc(Cl)c1 ZINC000903574302 654259241 /nfs/dbraw/zinc/25/92/41/654259241.db2.gz PJDHORPQKHEYDK-WBVHZDCISA-N 1 0 379.869 2.269 20 0 GEADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000852771528 654259845 /nfs/dbraw/zinc/25/98/45/654259845.db2.gz FWEVGXIOHPIYKR-OAHLLOKOSA-N 1 0 386.279 2.159 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)CC[C@H]1C(F)(F)F ZINC000903577693 654260191 /nfs/dbraw/zinc/26/01/91/654260191.db2.gz REAVCVDRWGILKA-GHMZBOCLSA-N 1 0 387.221 2.349 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@@H]3CSCCS3)C2)[C@@H]1C(C)C ZINC000921390885 654260261 /nfs/dbraw/zinc/26/02/61/654260261.db2.gz XDTKRUUUPVNGJZ-JLOCXQCDSA-N 1 0 387.615 2.004 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3=O)CC[C@H]1C(F)(F)F ZINC000903577985 654260465 /nfs/dbraw/zinc/26/04/65/654260465.db2.gz AFULLYHCZDZPHY-ZIAGYGMSSA-N 1 0 376.400 2.106 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC[C@@H]1C(F)(F)F ZINC000903578036 654260501 /nfs/dbraw/zinc/26/05/01/654260501.db2.gz AVECZVXONNMKNM-IUCAKERBSA-N 1 0 377.310 2.001 20 0 GEADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852802136 654260843 /nfs/dbraw/zinc/26/08/43/654260843.db2.gz KODFMLUJRUNGDC-LLVKDONJSA-N 1 0 387.267 2.274 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[C@H]1[NH3+] ZINC000871804222 654260928 /nfs/dbraw/zinc/26/09/28/654260928.db2.gz DTHIONFFJKSORK-SMDDNHRTSA-N 1 0 385.917 2.363 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N[C@H]3CC34CC[NH2+]CC4)cc2N1 ZINC000871807546 654261571 /nfs/dbraw/zinc/26/15/71/654261571.db2.gz OIGLRFYHPSKBDO-HNNXBMFYSA-N 1 0 383.901 2.035 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903580546 654261758 /nfs/dbraw/zinc/26/17/58/654261758.db2.gz VPDTVDMSDDJPTC-ZYHUDNBSSA-N 1 0 384.807 2.443 20 0 GEADRO CO[C@H](CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000903581490 654262028 /nfs/dbraw/zinc/26/20/28/654262028.db2.gz MYXSYNCGEABRSO-MGPQQGTHSA-N 1 0 384.395 2.055 20 0 GEADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852828008 654262275 /nfs/dbraw/zinc/26/22/75/654262275.db2.gz SKFIQUWMBMPGKW-BXUZGUMPSA-N 1 0 382.258 2.225 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000871810955 654262457 /nfs/dbraw/zinc/26/24/57/654262457.db2.gz LSVKHWLPEOINJU-KCJUWKMLSA-N 1 0 392.321 2.343 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)Cc1cc(F)ccc1Br ZINC000903583827 654262794 /nfs/dbraw/zinc/26/27/94/654262794.db2.gz GYMPIDXLMFBJTO-FZMZJTMJSA-N 1 0 377.279 2.231 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CC12CCOCC2 ZINC000852833074 654262810 /nfs/dbraw/zinc/26/28/10/654262810.db2.gz UJDLERMJNZQXNB-NSHDSACASA-N 1 0 383.279 2.469 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000871811510 654262907 /nfs/dbraw/zinc/26/29/07/654262907.db2.gz PMGVJXXCUYRDCC-WCBMZHEXSA-N 1 0 376.322 2.463 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@H]1C(F)(F)F ZINC000871812667 654263119 /nfs/dbraw/zinc/26/31/19/654263119.db2.gz BECGLZUWKJMZRJ-VXNVDRBHSA-N 1 0 392.321 2.185 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903583903 654263223 /nfs/dbraw/zinc/26/32/23/654263223.db2.gz FGPNFYQORUGRIE-LLVKDONJSA-N 1 0 397.722 2.469 20 0 GEADRO COC(=O)c1cc2nc(NC(=O)[C@@H]3CC[N@H+](C)C3)[nH]c2c(Br)c1 ZINC000891093289 654264268 /nfs/dbraw/zinc/26/42/68/654264268.db2.gz OLRRDUYUCFKXTK-MRVPVSSYSA-N 1 0 381.230 2.002 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000903589398 654264535 /nfs/dbraw/zinc/26/45/35/654264535.db2.gz AWLLSGLPGUGHAD-CQSZACIVSA-N 1 0 390.933 2.374 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(Cl)cc1Cl ZINC000871814641 654264485 /nfs/dbraw/zinc/26/44/85/654264485.db2.gz FYRFQEKVGCLRGT-BJOHPYRUSA-N 1 0 393.292 2.010 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871815997 654264765 /nfs/dbraw/zinc/26/47/65/654264765.db2.gz AZKDTUDPLCZZJE-KGLIPLIRSA-N 1 0 375.288 2.021 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000871816053 654264813 /nfs/dbraw/zinc/26/48/13/654264813.db2.gz BVWASUSERMLJOX-KGLIPLIRSA-N 1 0 375.288 2.021 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC000903590103 654264840 /nfs/dbraw/zinc/26/48/40/654264840.db2.gz MYSACTXLVCSHIL-UHFFFAOYSA-N 1 0 395.319 2.085 20 0 GEADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000852881935 654265161 /nfs/dbraw/zinc/26/51/61/654265161.db2.gz TURUJJDCFIWGHN-WFASDCNBSA-N 1 0 375.270 2.459 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852882042 654265257 /nfs/dbraw/zinc/26/52/57/654265257.db2.gz WLECYEPAZOGLBI-LLVKDONJSA-N 1 0 398.248 2.334 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592620 654265664 /nfs/dbraw/zinc/26/56/64/654265664.db2.gz OWZMQTKYCMDHHU-HNNXBMFYSA-N 1 0 389.315 2.115 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903590677 654265315 /nfs/dbraw/zinc/26/53/15/654265315.db2.gz YMSILLYQVOXATE-DYVFJYSZSA-N 1 0 388.917 2.257 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852882043 654265426 /nfs/dbraw/zinc/26/54/26/654265426.db2.gz WLECYEPAZOGLBI-NSHDSACASA-N 1 0 398.248 2.334 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c(C)c1Cl ZINC000871820670 654265677 /nfs/dbraw/zinc/26/56/77/654265677.db2.gz SXWQCSQTTZXMGL-LKFCYVNXSA-N 1 0 378.903 2.059 20 0 GEADRO Cn1ncc(S(=O)(=O)N[C@H]2CCCCC23CC[NH2+]CC3)c1C(F)(F)F ZINC000871819031 654265717 /nfs/dbraw/zinc/26/57/17/654265717.db2.gz OODUQSHIQODMFT-LBPRGKRZSA-N 1 0 380.436 2.030 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593097 654265627 /nfs/dbraw/zinc/26/56/27/654265627.db2.gz WIYONSZEFNITBK-HNNXBMFYSA-N 1 0 384.299 2.447 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)ccc1Br ZINC000903593365 654265806 /nfs/dbraw/zinc/26/58/06/654265806.db2.gz LZYDZIFPCXTLJH-OAHLLOKOSA-N 1 0 387.299 2.168 20 0 GEADRO Cc1c(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cnn1-c1ccc(Cl)cc1 ZINC000903592638 654265814 /nfs/dbraw/zinc/26/58/14/654265814.db2.gz HDAGWWRFJMNLGJ-KRWDZBQOSA-N 1 0 380.901 2.351 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593510 654265825 /nfs/dbraw/zinc/26/58/25/654265825.db2.gz OBITWUXSJMUKCO-ZDUSSCGKSA-N 1 0 381.242 2.244 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871821939 654266011 /nfs/dbraw/zinc/26/60/11/654266011.db2.gz BTYHUKBXMHELMS-ZBFHGGJFSA-N 1 0 379.592 2.359 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CCCCCC[NH3+])c1 ZINC000871821332 654266073 /nfs/dbraw/zinc/26/60/73/654266073.db2.gz PDHQSRKOZDTNAR-UHFFFAOYSA-N 1 0 375.922 2.181 20 0 GEADRO CN1CCN([C@H](C[NH2+]Cc2nc(Br)c[nH]2)c2cccs2)CC1 ZINC000921472176 654272211 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CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CCc1nsc2ccccc12 ZINC000853119966 654280537 /nfs/dbraw/zinc/28/05/37/654280537.db2.gz QDGPCCWLTBYRBR-UHFFFAOYSA-N 1 0 384.523 2.185 20 0 GEADRO OCCN(Cc1cc(Br)ccc1F)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725561 654281492 /nfs/dbraw/zinc/28/14/92/654281492.db2.gz CXCZXHOCVXIXDZ-DOTOQJQBSA-N 1 0 387.293 2.151 20 0 GEADRO CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903720324 654281523 /nfs/dbraw/zinc/28/15/23/654281523.db2.gz ABZZNLUTMMFDSE-CHWSQXEVSA-N 1 0 377.794 2.037 20 0 GEADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903721153 654281636 /nfs/dbraw/zinc/28/16/36/654281636.db2.gz YCHMZQRPCBSDMW-OASPWFOLSA-N 1 0 377.794 2.207 20 0 GEADRO O=C(NCc1cc(Br)cs1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891368858 654289550 /nfs/dbraw/zinc/28/95/50/654289550.db2.gz HZCFWQWGXAAMSO-LBPRGKRZSA-N 1 0 388.331 2.469 20 0 GEADRO CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H](CO)c1cccc(Br)c1 ZINC000903897669 654291102 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C[NH+](C)[C@@H](CNC(=O)NCc1ncc(Br)cn1)c1cccc(F)c1 ZINC000891537008 654299553 /nfs/dbraw/zinc/29/95/53/654299553.db2.gz XLFRPOOKKAWUNG-AWEZNQCLSA-N 1 0 396.264 2.480 20 0 GEADRO O=C(NCc1ncc(Br)cn1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000891541519 654300152 /nfs/dbraw/zinc/30/01/52/654300152.db2.gz AACBXNLRPDQRPS-HNNXBMFYSA-N 1 0 390.285 2.313 20 0 GEADRO CCC[N@H+](C)[C@H](CNC(=O)CC1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127822 654301257 /nfs/dbraw/zinc/30/12/57/654301257.db2.gz BAZBPHBTUBLTGU-KGLIPLIRSA-N 1 0 382.917 2.396 20 0 GEADRO Brc1ccc(-c2noc(-c3ccnc(N4CC[NH2+]CC4)c3)n2)nc1 ZINC000904106590 654302113 /nfs/dbraw/zinc/30/21/13/654302113.db2.gz YNFGNZKLTBSRRZ-UHFFFAOYSA-N 1 0 387.241 2.366 20 0 GEADRO O=C(NCC1CN(C[C@@H](O)c2cccc(Br)c2)C1)C(F)(F)F ZINC000871991939 654303928 /nfs/dbraw/zinc/30/39/28/654303928.db2.gz PDSJQICAKMRPOZ-GFCCVEGCSA-N 1 0 381.192 2.093 20 0 GEADRO CCOC(=O)[C@H](C)C1C[NH+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000871994732 654305092 /nfs/dbraw/zinc/30/50/92/654305092.db2.gz WSMGFWBRRVOFLL-IUODEOHRSA-N 1 0 386.286 2.320 20 0 GEADRO O=C(N1CCC[C@H](C2CC[NH+](CN3CCOC3=S)CC2)C1)C(F)(F)F ZINC000853572940 654305372 /nfs/dbraw/zinc/30/53/72/654305372.db2.gz UAQQUZNFLNEAKG-ZDUSSCGKSA-N 1 0 379.448 2.074 20 0 GEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1CSCCS1 ZINC000804345223 654306037 /nfs/dbraw/zinc/30/60/37/654306037.db2.gz MAGOFXXORCIZLV-GOSISDBHSA-N 1 0 379.595 2.111 20 0 GEADRO Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000904337436 654307679 /nfs/dbraw/zinc/30/76/79/654307679.db2.gz YVUJEDUFEOBPKN-NSHDSACASA-N 1 0 391.273 2.067 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H]1CCOC3(CCSCC3)C1)C2 ZINC000891697309 654307692 /nfs/dbraw/zinc/30/76/92/654307692.db2.gz BXHNXDQPFVLCEX-LBPRGKRZSA-N 1 0 382.555 2.114 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000904322156 654307841 /nfs/dbraw/zinc/30/78/41/654307841.db2.gz QCMGMVLUJDMYLO-CQSZACIVSA-N 1 0 384.933 2.345 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H](SC)C2)c1 ZINC000921702799 654308052 /nfs/dbraw/zinc/30/80/52/654308052.db2.gz NNVCFFDUXIOJQV-KCQAQPDRSA-N 1 0 385.555 2.186 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(Br)cc1F ZINC000904349566 654308404 /nfs/dbraw/zinc/30/84/04/654308404.db2.gz ARYFCWJWYRXQMM-HOCOFYGGSA-N 1 0 386.221 2.389 20 0 GEADRO O=C(Nc1cccc(F)c1I)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904394122 654308690 /nfs/dbraw/zinc/30/86/90/654308690.db2.gz OXBULOZRDGTLBB-JVUFJMBOSA-N 1 0 375.185 2.445 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(Cn3c(=O)oc4cc(Br)c(F)cc43)C[C@]2(C)C1 ZINC000904435885 654310864 /nfs/dbraw/zinc/31/08/64/654310864.db2.gz HDLIVWCWQJOUAV-HWPZZCPQSA-N 1 0 384.249 2.337 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904459575 654311500 /nfs/dbraw/zinc/31/15/00/654311500.db2.gz VXTWYHXADYCHPN-ZBEGNZNMSA-N 1 0 391.273 2.375 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccnn1-c1ccc(Br)cn1)C2 ZINC000904459880 654311563 /nfs/dbraw/zinc/31/15/63/654311563.db2.gz ZXDBLXOVKPEVFM-UHTWSYAYSA-N 1 0 391.273 2.373 20 0 GEADRO O=C(N[C@@H](c1nccs1)C(F)(F)F)N1CC[NH2+]CCC12CCOCC2 ZINC000904484836 654311989 /nfs/dbraw/zinc/31/19/89/654311989.db2.gz QZQOHDWRMUAATE-NSHDSACASA-N 1 0 378.420 2.301 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc2cc(Br)cnc21 ZINC000904471055 654312024 /nfs/dbraw/zinc/31/20/24/654312024.db2.gz VVDFDOILIRFFIT-CYBMUJFWSA-N 1 0 379.258 2.449 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1Br ZINC000904485819 654312572 /nfs/dbraw/zinc/31/25/72/654312572.db2.gz WOZLHNYOSVDUKP-HWPZZCPQSA-N 1 0 381.274 2.154 20 0 GEADRO Cc1nn(C)c(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1Cl ZINC000921728593 654312861 /nfs/dbraw/zinc/31/28/61/654312861.db2.gz AZHWCWYFZPSYIF-UHFFFAOYSA-N 1 0 388.843 2.033 20 0 GEADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)N1CCC([NH2+]CCO)CC1 ZINC000904550104 654313404 /nfs/dbraw/zinc/31/34/04/654313404.db2.gz UERCNDGAIOOQFY-UHFFFAOYSA-N 1 0 383.905 2.225 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872094154 654313461 /nfs/dbraw/zinc/31/34/61/654313461.db2.gz ZKWCTEIBGPNLRL-DZGCQCFKSA-N 1 0 391.331 2.056 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152318 654315019 /nfs/dbraw/zinc/31/50/19/654315019.db2.gz OURIQIKRMXZOJU-DHSIGJKJSA-N 1 0 380.330 2.337 20 0 GEADRO Fc1ccc(Br)cc1Cc1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1 ZINC000904666547 654315351 /nfs/dbraw/zinc/31/53/51/654315351.db2.gz UNCZKBLFBFUVHV-BZNIZROVSA-N 1 0 382.233 2.440 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000891858780 654315794 /nfs/dbraw/zinc/31/57/94/654315794.db2.gz VYDKRHNYDRBTRL-BXUZGUMPSA-N 1 0 378.274 2.266 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000891864976 654315821 /nfs/dbraw/zinc/31/58/21/654315821.db2.gz LLMFDNZBUVIUOD-QGZVFWFLSA-N 1 0 385.555 2.217 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccsc2)C[C@@H]1C(F)(F)F ZINC000872185592 654316459 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2.334 20 0 GEADRO O[C@H](C[NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)COC1CCOCC1 ZINC000872240087 654318884 /nfs/dbraw/zinc/31/88/84/654318884.db2.gz VSLQZVWLWSIRGO-NKGKWGDASA-N 1 0 382.298 2.233 20 0 GEADRO CCc1ccc([C@H](O)C[NH2+]Cc2c(I)cnn2C)cc1 ZINC000872242302 654319058 /nfs/dbraw/zinc/31/90/58/654319058.db2.gz KLPCQZFWUAFXBG-OAHLLOKOSA-N 1 0 385.249 2.410 20 0 GEADRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2c(I)cnn2C)c1 ZINC000872242318 654319138 /nfs/dbraw/zinc/31/91/38/654319138.db2.gz KTZCXPQZWBOQJR-HNNXBMFYSA-N 1 0 385.249 2.465 20 0 GEADRO O=C(/C=C/c1ccc(Cl)s1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872252108 654319921 /nfs/dbraw/zinc/31/99/21/654319921.db2.gz POBAYEKNYBRUAD-UXLGEMMMSA-N 1 0 381.885 2.198 20 0 GEADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)NC[C@H]1CCC[NH2+]C1 ZINC000891979181 654321457 /nfs/dbraw/zinc/32/14/57/654321457.db2.gz LMMOUABYBUSMPW-ZDUSSCGKSA-N 1 0 392.301 2.434 20 0 GEADRO O=C(NCc1ccc(Br)s1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892006904 654323327 /nfs/dbraw/zinc/32/33/27/654323327.db2.gz ASBGWNMVPGUBJA-OLZOCXBDSA-N 1 0 388.331 2.251 20 0 GEADRO O=S(=O)(c1ccccc1)N1CCC([NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921798760 654324920 /nfs/dbraw/zinc/32/49/20/654324920.db2.gz ZSJMSISMRJGDFK-UHFFFAOYSA-N 1 0 399.314 2.115 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000892024922 654325323 /nfs/dbraw/zinc/32/53/23/654325323.db2.gz SPRMDRJUXIZIQF-UKRRQHHQSA-N 1 0 376.284 2.112 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000892075234 654327010 /nfs/dbraw/zinc/32/70/10/654327010.db2.gz INWVDSRWRRLGBT-HNNXBMFYSA-N 1 0 397.361 2.269 20 0 GEADRO [NH3+]C1(CNC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CCC1 ZINC000892052771 654327021 /nfs/dbraw/zinc/32/70/21/654327021.db2.gz CLQSGSRIKHIANF-UHFFFAOYSA-N 1 0 378.274 2.315 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]Cc2ccc(F)cc2F)CCC1 ZINC000905039640 654327752 /nfs/dbraw/zinc/32/77/52/654327752.db2.gz WKTNRXWJYBXMNN-HNNXBMFYSA-N 1 0 376.469 2.056 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000834469620 654327886 /nfs/dbraw/zinc/32/78/86/654327886.db2.gz KJYYJRQOKUSWTN-LBPRGKRZSA-N 1 0 389.315 2.067 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892091479 654328125 /nfs/dbraw/zinc/32/81/25/654328125.db2.gz LGFGSFWFMMJQMK-LRDDRELGSA-N 1 0 392.301 2.432 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892091574 654328133 /nfs/dbraw/zinc/32/81/33/654328133.db2.gz GMSQZZJXEKQONV-DJSGYFEHSA-N 1 0 390.311 2.373 20 0 GEADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C[C@@](C)(O)C(F)F)CC2)cc1 ZINC000905076704 654329311 /nfs/dbraw/zinc/32/93/11/654329311.db2.gz RDKCJKJIGCEUGF-QGZVFWFLSA-N 1 0 376.469 2.055 20 0 GEADRO O=C(NCCC[NH2+]C[C@H](O)CC1(O)CCCC1)c1cccc(Br)c1 ZINC000905080725 654329892 /nfs/dbraw/zinc/32/98/92/654329892.db2.gz MLXAWRNXKANEQO-MRXNPFEDSA-N 1 0 399.329 2.215 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000892126442 654330289 /nfs/dbraw/zinc/33/02/89/654330289.db2.gz FHBSISNDYMMMNL-AWEZNQCLSA-N 1 0 380.290 2.462 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1COc2cccc(Br)c2C1)C(F)F ZINC000892150371 654331176 /nfs/dbraw/zinc/33/11/76/654331176.db2.gz IRCUKKGHLOLIRV-KWQFWETISA-N 1 0 378.217 2.034 20 0 GEADRO Cc1cccc([C@H](O)C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000905109159 654332583 /nfs/dbraw/zinc/33/25/83/654332583.db2.gz IVPUKFXAQJUZER-OAHLLOKOSA-N 1 0 380.432 2.180 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1ncc(Br)cn1)c1ccc(F)cc1 ZINC000892173685 654332851 /nfs/dbraw/zinc/33/28/51/654332851.db2.gz XJGYJYRHJSPLPG-AWEZNQCLSA-N 1 0 396.264 2.480 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@@H]2CSc3ccccc32)CCC1 ZINC000905125667 654333096 /nfs/dbraw/zinc/33/30/96/654333096.db2.gz ATLXSMSVQCWIOY-GDBMZVCRSA-N 1 0 384.567 2.425 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)c3ccc(Cl)c(Cl)c3)C2=O)n(C)n1 ZINC000905138898 654333960 /nfs/dbraw/zinc/33/39/60/654333960.db2.gz ZOPDRMXCLMAQPF-GJZGRUSLSA-N 1 0 383.279 2.464 20 0 GEADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1=O ZINC000905147602 654334429 /nfs/dbraw/zinc/33/44/29/654334429.db2.gz LEONDYVZVXJXCK-FABXCBLPSA-N 1 0 386.279 2.337 20 0 GEADRO C[C@@H](CCNC(=O)N1CCn2ncc(Br)c2C1)[NH+]1CCCCC1 ZINC000853983692 654335121 /nfs/dbraw/zinc/33/51/21/654335121.db2.gz KXZYNMLLLQJSFZ-ZDUSSCGKSA-N 1 0 384.322 2.435 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1ccc(Br)nc1 ZINC000853994659 654335945 /nfs/dbraw/zinc/33/59/45/654335945.db2.gz CSCSTAQXZXKZQC-ZDUSSCGKSA-N 1 0 395.301 2.021 20 0 GEADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1nc(Br)cs1 ZINC000834571651 654336245 /nfs/dbraw/zinc/33/62/45/654336245.db2.gz VNAWBIDQQFABSJ-GHMZBOCLSA-N 1 0 375.336 2.144 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1 ZINC000872440004 654336473 /nfs/dbraw/zinc/33/64/73/654336473.db2.gz WSVYDLBPAVWFPX-HSZRJFAPSA-N 1 0 375.560 2.369 20 0 GEADRO C[N@H+](CCNC(=O)NCc1ncc(Br)cn1)Cc1ccccc1 ZINC000892263282 654337315 /nfs/dbraw/zinc/33/73/15/654337315.db2.gz SVDWMMDHVHWREG-UHFFFAOYSA-N 1 0 378.274 2.170 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905190644 654337340 /nfs/dbraw/zinc/33/73/40/654337340.db2.gz XQEDMAKHOQLJHX-XFJVYGCCSA-N 1 0 376.266 2.011 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)s1 ZINC000805028284 654337437 /nfs/dbraw/zinc/33/74/37/654337437.db2.gz ARLXVMKVKRTBTI-UHFFFAOYSA-N 1 0 386.543 2.177 20 0 GEADRO O=C(NCc1cnc(Cl)s1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000921886267 654337957 /nfs/dbraw/zinc/33/79/57/654337957.db2.gz YBJSEVZPYAXETF-CQSZACIVSA-N 1 0 380.901 2.363 20 0 GEADRO [NH3+]C1(CNC(=O)NCCc2cc(Cl)cc(Br)c2)CCOCC1 ZINC000892278966 654338406 /nfs/dbraw/zinc/33/84/06/654338406.db2.gz JAIIFIVDSRWCJY-UHFFFAOYSA-N 1 0 390.709 2.452 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892283001 654338559 /nfs/dbraw/zinc/33/85/59/654338559.db2.gz VLZILMQZMQRGGT-ZOZIMZAQSA-N 1 0 383.290 2.183 20 0 GEADRO O=C(NCc1cc(C(F)(F)F)ccc1Br)NC[C@H]1COCC[NH2+]1 ZINC000892290925 654338745 /nfs/dbraw/zinc/33/87/45/654338745.db2.gz VOMATZAOTSKHBI-NSHDSACASA-N 1 0 396.207 2.256 20 0 GEADRO Cc1csc([C@H](C)C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)n1 ZINC000905206834 654339006 /nfs/dbraw/zinc/33/90/06/654339006.db2.gz DHROHMUEFZMSBD-TZMCWYRMSA-N 1 0 389.587 2.146 20 0 GEADRO Cc1cnc([C@@H](C)C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000905211755 654339311 /nfs/dbraw/zinc/33/93/11/654339311.db2.gz FYJJOOVFSQTTJX-GXTWGEPZSA-N 1 0 389.587 2.146 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1[C@H]3Cc4c(cccc4Br)[C@@H]13)C2 ZINC000892323261 654340258 /nfs/dbraw/zinc/34/02/58/654340258.db2.gz SXZMTXAQQQIKKQ-DWAUGUFUSA-N 1 0 376.298 2.338 20 0 GEADRO CC[C@H]1CN(C(=O)c2ccc3ncc(I)n3c2)CC[C@@H]1[NH3+] ZINC000834646282 654340506 /nfs/dbraw/zinc/34/05/06/654340506.db2.gz BVMPPVVKMGFYFC-JQWIXIFHSA-N 1 0 398.248 2.138 20 0 GEADRO O=S(=O)(Cc1c(F)cccc1Cl)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921913026 654341370 /nfs/dbraw/zinc/34/13/70/654341370.db2.gz ZIEXPQLQVKACMH-ZDUSSCGKSA-N 1 0 376.881 2.152 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000892358773 654342695 /nfs/dbraw/zinc/34/26/95/654342695.db2.gz QSOJRDBWERJTRN-GXTWGEPZSA-N 1 0 384.322 2.246 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccc(Cl)s1 ZINC000921925557 654343403 /nfs/dbraw/zinc/34/34/03/654343403.db2.gz VXJSCLPXPRMRFU-RWMBFGLXSA-N 1 0 378.947 2.475 20 0 GEADRO CS(=O)(=O)c1cccc(Cc2noc(-c3cc4c(s3)CC[NH2+]C4)n2)c1 ZINC000854163810 654343385 /nfs/dbraw/zinc/34/33/85/654343385.db2.gz IIGNZWKYOFVLPX-UHFFFAOYSA-N 1 0 375.475 2.438 20 0 GEADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cccc(Br)n1 ZINC000872460945 654343935 /nfs/dbraw/zinc/34/39/35/654343935.db2.gz HDJDHHPEYWTUDR-UHFFFAOYSA-N 1 0 376.320 2.339 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905248984 654344524 /nfs/dbraw/zinc/34/45/24/654344524.db2.gz WXLOJOUHIFYCFE-NILFDRSVSA-N 1 0 381.325 2.334 20 0 GEADRO COCC[N@@H+]1CC[C@@H](Nc2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000892414247 654345315 /nfs/dbraw/zinc/34/53/15/654345315.db2.gz QZFIZYBUVAHLNY-LLVKDONJSA-N 1 0 397.321 2.476 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1nc(Br)cs1 ZINC000834727042 654345456 /nfs/dbraw/zinc/34/54/56/654345456.db2.gz XYBLPXWUDASADG-QIBSRJKCSA-N 1 0 387.303 2.277 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)s2)CCC1)C[C@]1(O)CCOC1 ZINC000905254985 654345543 /nfs/dbraw/zinc/34/55/43/654345543.db2.gz HULWOAPOPPPUOL-MLGOLLRUSA-N 1 0 390.343 2.424 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000892434160 654345845 /nfs/dbraw/zinc/34/58/45/654345845.db2.gz NKCLZYQRORTNLM-IXPVHAAZSA-N 1 0 388.281 2.438 20 0 GEADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905258559 654345922 /nfs/dbraw/zinc/34/59/22/654345922.db2.gz YMUSRDJPFMNGDM-WFASDCNBSA-N 1 0 381.325 2.431 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]C[C@@H]2CCCCC2(F)F)CCC1 ZINC000905273076 654346902 /nfs/dbraw/zinc/34/69/02/654346902.db2.gz KCDJMSGWIQTNLK-KBPBESRZSA-N 1 0 382.517 2.403 20 0 GEADRO O=C(NCc1ccccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892458199 654347064 /nfs/dbraw/zinc/34/70/64/654347064.db2.gz VUHVTCIHESCKLP-CVEARBPZSA-N 1 0 382.302 2.190 20 0 GEADRO O=S(=O)(CCC[NH2+]C[C@H](O)CC1(O)CCCC1)c1ccc(Cl)cc1 ZINC000905274201 654347366 /nfs/dbraw/zinc/34/73/66/654347366.db2.gz NJEUKIQZSMSSID-OAHLLOKOSA-N 1 0 375.918 2.150 20 0 GEADRO O[C@H](C[NH2+]CCc1ccc(Br)cc1Cl)C1(O)CCOCC1 ZINC000905274241 654347399 /nfs/dbraw/zinc/34/73/99/654347399.db2.gz OFHDWDDLUZYYOS-CQSZACIVSA-N 1 0 378.694 2.137 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000892459006 654347394 /nfs/dbraw/zinc/34/73/94/654347394.db2.gz POJDCJOPEHLBQQ-OFWKBQFLSA-N 1 0 386.265 2.287 20 0 GEADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1cccnc1I ZINC000834764805 654347456 /nfs/dbraw/zinc/34/74/56/654347456.db2.gz NOOYKOXYIJDQAN-AWEZNQCLSA-N 1 0 393.228 2.303 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNc1ncnc2c1c(Br)nn2C(C)(C)C ZINC000892467167 654347502 /nfs/dbraw/zinc/34/75/02/654347502.db2.gz GWFOEPYTARMPSH-NSHDSACASA-N 1 0 396.337 2.002 20 0 GEADRO CC1([NH+]2CCC2)CCC(NC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000834808540 654349610 /nfs/dbraw/zinc/34/96/10/654349610.db2.gz XYQCBDTVJFPENR-UHFFFAOYSA-N 1 0 398.301 2.295 20 0 GEADRO CC1([NH+]2CCC2)CCC(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000834808566 654349623 /nfs/dbraw/zinc/34/96/23/654349623.db2.gz YPHLFWPEEBHLLV-UHFFFAOYSA-N 1 0 385.917 2.124 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872477709 654350362 /nfs/dbraw/zinc/35/03/62/654350362.db2.gz KPLVRANVIAWPEU-GFCCVEGCSA-N 1 0 379.448 2.068 20 0 GEADRO O=C(c1nc(F)ccc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854330835 654351229 /nfs/dbraw/zinc/35/12/29/654351229.db2.gz MYSPCSSOMCKXIK-GFCCVEGCSA-N 1 0 386.265 2.310 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854332195 654351541 /nfs/dbraw/zinc/35/15/41/654351541.db2.gz DTDGQIJURLSCFG-CQSZACIVSA-N 1 0 382.302 2.479 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000905339819 654351841 /nfs/dbraw/zinc/35/18/41/654351841.db2.gz IZAOWEYXSOBUAU-INIZCTEOSA-N 1 0 376.881 2.182 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCc1cccc(COCC(F)(F)F)c1 ZINC000905343741 654352253 /nfs/dbraw/zinc/35/22/53/654352253.db2.gz SJOMWUYXXVEUDX-UHFFFAOYSA-N 1 0 380.432 2.185 20 0 GEADRO COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000834843345 654352910 /nfs/dbraw/zinc/35/29/10/654352910.db2.gz HSVAOZSHRLZLHB-BDJLRTHQSA-N 1 0 381.441 2.130 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H](CO)c1cccc(Br)c1 ZINC000892599194 654353107 /nfs/dbraw/zinc/35/31/07/654353107.db2.gz QDXLSTCDBBADFV-MWNCTCPHSA-N 1 0 382.302 2.312 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000905360496 654353405 /nfs/dbraw/zinc/35/34/05/654353405.db2.gz UXGKIWYFPMFWMH-NUEKZKHPSA-N 1 0 385.327 2.006 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)Cc1ccc(Br)cc1 ZINC000905366497 654353742 /nfs/dbraw/zinc/35/37/42/654353742.db2.gz OLCCHSWGLMAWBG-RDJZCZTQSA-N 1 0 386.330 2.246 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C3CCS(=O)CC3)cc2)C1 ZINC000892615309 654353739 /nfs/dbraw/zinc/35/37/39/654353739.db2.gz AJQHIRXRLOJQJJ-LCVZGFTISA-N 1 0 384.567 2.108 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)cn2)C[C@H]1C(F)(F)F ZINC000892617023 654353958 /nfs/dbraw/zinc/35/39/58/654353958.db2.gz RZYPSYMICDDUMV-GZMMTYOYSA-N 1 0 381.196 2.123 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Br)n2)CC[N@@H+](C2CCC2)C1 ZINC000872490086 654354587 /nfs/dbraw/zinc/35/45/87/654354587.db2.gz YJTDCONPLBJMML-LBPRGKRZSA-N 1 0 388.331 2.339 20 0 GEADRO COc1ccc([C@H](C)NC(=O)C2CN(C)CC[N@H+](C)C2)cc1Br ZINC000905385995 654354937 /nfs/dbraw/zinc/35/49/37/654354937.db2.gz PSCXHXQOIANCLI-LBPRGKRZSA-N 1 0 384.318 2.128 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)C2CN(C)CC[N@H+](C)C2)cc1Br ZINC000905385994 654354985 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383.901 2.082 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000854913891 654389403 /nfs/dbraw/zinc/38/94/03/654389403.db2.gz RWXOYAPCTNCVST-LBPRGKRZSA-N 1 0 378.416 2.442 20 0 GEADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc(O)ccc2Br)CCC(=O)N1C ZINC000922404953 654390432 /nfs/dbraw/zinc/39/04/32/654390432.db2.gz QSMXTTWORFDWMR-YOEHRIQHSA-N 1 0 393.285 2.340 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(Cn3c(=O)oc4cc(Br)c(F)cc43)CC[C@@H]21 ZINC000872722938 654393052 /nfs/dbraw/zinc/39/30/52/654393052.db2.gz IEFMFQNAQUKFBV-GWCFXTLKSA-N 1 0 384.249 2.480 20 0 GEADRO CN1CC[NH+](C2CCN(Cn3ncc4c3cccc4Br)CC2)CC1 ZINC000872731640 654393842 /nfs/dbraw/zinc/39/38/42/654393842.db2.gz JTXFTFJSNVODGX-UHFFFAOYSA-N 1 0 392.345 2.468 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922454925 654394612 /nfs/dbraw/zinc/39/46/12/654394612.db2.gz KWHSIOGZDKEXQF-GMSGAONNSA-N 1 0 389.159 2.224 20 0 GEADRO Cn1cc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c(I)n1 ZINC000922456183 654394640 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2.145 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000872888227 654403252 /nfs/dbraw/zinc/40/32/52/654403252.db2.gz APTOMWAXLCDEAH-INIZCTEOSA-N 1 0 395.345 2.026 20 0 GEADRO CCN1CC[C@@H]([NH2+]C2CC(S(C)(=O)=O)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000893497551 654404110 /nfs/dbraw/zinc/40/41/10/654404110.db2.gz GGLNMBOPAXMXQR-LHLWNEDTSA-N 1 0 376.444 2.404 20 0 GEADRO C[NH+](C)CC[C@@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1cccnc1 ZINC000922630685 654404498 /nfs/dbraw/zinc/40/44/98/654404498.db2.gz ATKPHPHGOBZQSR-MRXNPFEDSA-N 1 0 382.917 2.165 20 0 GEADRO Cn1ncc(I)c1CN[C@H](CC[NH+](C)C)c1cccnc1 ZINC000922631968 654404931 /nfs/dbraw/zinc/40/49/31/654404931.db2.gz FYXMYLWWJBIQQU-CQSZACIVSA-N 1 0 399.280 2.202 20 0 GEADRO C[N@H+]1C[C@H]2CN(c3ncnc4c3c(Br)nn4C(C)(C)C)C[C@H]2C1 ZINC000893548357 654407579 /nfs/dbraw/zinc/40/75/79/654407579.db2.gz FAZJHTTWNUGVFV-PHIMTYICSA-N 1 0 379.306 2.342 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922695407 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CN(Cc1nc(Br)c[nH]1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000893723769 654418058 /nfs/dbraw/zinc/41/80/58/654418058.db2.gz RBJMVKPWGYSGKB-QGZVFWFLSA-N 1 0 379.302 2.241 20 0 GEADRO C[NH+]1CCN(Cc2ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000906125650 654418127 /nfs/dbraw/zinc/41/81/27/654418127.db2.gz DBGDGYGHIHKMMG-AWEZNQCLSA-N 1 0 394.730 2.494 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(C(F)(F)F)s1 ZINC000873139529 654418306 /nfs/dbraw/zinc/41/83/06/654418306.db2.gz AMMJTZYVMHUXNG-SNVBAGLBSA-N 1 0 378.420 2.028 20 0 GEADRO CCn1c(Br)ncc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922890508 654418389 /nfs/dbraw/zinc/41/83/89/654418389.db2.gz NIIVFZIFGRPNLE-UHFFFAOYSA-N 1 0 385.306 2.039 20 0 GEADRO Cn1cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c(I)n1 ZINC000922896366 654418695 /nfs/dbraw/zinc/41/86/95/654418695.db2.gz MYAYOMCOSDRTBS-AAEUAGOBSA-N 1 0 375.254 2.320 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2nscc2I)C1 ZINC000906172851 654419436 /nfs/dbraw/zinc/41/94/36/654419436.db2.gz NDDFJCZLXCSAJR-SECBINFHSA-N 1 0 379.267 2.209 20 0 GEADRO CC(C)(CNC(=O)NCC[NH+]1CCC(O)CC1)c1ccccc1Br ZINC000893773920 654420882 /nfs/dbraw/zinc/42/08/82/654420882.db2.gz IMJMAEJKDTVCDD-UHFFFAOYSA-N 1 0 398.345 2.483 20 0 GEADRO Cn1cc(C[NH2+]CCc2cccc3c2OCCO3)c(I)n1 ZINC000922945557 654421312 /nfs/dbraw/zinc/42/13/12/654421312.db2.gz RCIVVJWQTMXOJQ-UHFFFAOYSA-N 1 0 399.232 2.128 20 0 GEADRO Brc1ccn2cc(CNC[C@@H]3CC[N@@H+]3C3CCOCC3)nc2c1 ZINC000922954480 654421514 /nfs/dbraw/zinc/42/15/14/654421514.db2.gz UXHOZJZIBHBOAC-INIZCTEOSA-N 1 0 379.302 2.440 20 0 GEADRO CO[C@@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000906213993 654422107 /nfs/dbraw/zinc/42/21/07/654422107.db2.gz CUPAWKODVABIQF-CQSZACIVSA-N 1 0 391.331 2.427 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](O)c1ccnn1C ZINC000922971365 654422220 /nfs/dbraw/zinc/42/22/20/654422220.db2.gz XNDIJVBOTKDSFL-KRWDZBQOSA-N 1 0 390.285 2.500 20 0 GEADRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cc(Br)nn2C)c1 ZINC000873193433 654422335 /nfs/dbraw/zinc/42/23/35/654422335.db2.gz CFEJPQKPFAJJSV-MGPLVRAMSA-N 1 0 384.274 2.412 20 0 GEADRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000873196098 654422463 /nfs/dbraw/zinc/42/24/63/654422463.db2.gz QVDDEFYELDDUBT-APPDUMDISA-N 1 0 385.507 2.381 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000873228520 654422743 /nfs/dbraw/zinc/42/27/43/654422743.db2.gz FLHSAAFLQZAFCN-MAUKXSAKSA-N 1 0 380.330 2.327 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cn(C2CC2)c1=O ZINC000906239928 654423014 /nfs/dbraw/zinc/42/30/14/654423014.db2.gz KWZUZZCOXIAZTK-TZMCWYRMSA-N 1 0 380.286 2.302 20 0 GEADRO Cn1nnc2c1C[C@H]([NH2+]Cc1cccc(F)c1I)CC2 ZINC000922993234 654423509 /nfs/dbraw/zinc/42/35/09/654423509.db2.gz XSZCQRACWWLPIA-SNVBAGLBSA-N 1 0 386.212 2.206 20 0 GEADRO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1c(I)cnn1C ZINC000873275632 654423647 /nfs/dbraw/zinc/42/36/47/654423647.db2.gz INOAPBIQZSLKBQ-RYUDHWBXSA-N 1 0 376.286 2.425 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873318391 654424342 /nfs/dbraw/zinc/42/43/42/654424342.db2.gz CAHGIHFNJUAFGV-GFCCVEGCSA-N 1 0 383.290 2.433 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccnn1-c1ccc(Br)cn1)C2 ZINC000873324979 654424693 /nfs/dbraw/zinc/42/46/93/654424693.db2.gz YXPRJGVTHGXBHS-MEDUHNTESA-N 1 0 391.273 2.103 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)n1 ZINC000893828471 654426195 /nfs/dbraw/zinc/42/61/95/654426195.db2.gz LWRVSWRXYBNONW-NEPJUHHUSA-N 1 0 383.290 2.479 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cn(C)nc1I ZINC000906357531 654431057 /nfs/dbraw/zinc/43/10/57/654431057.db2.gz CJRXIVOQERVHFO-NSHDSACASA-N 1 0 392.285 2.265 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(c3ncnc4c3c(Br)nn4C(C)(C)C)[C@@H]2C1 ZINC000893936466 654432096 /nfs/dbraw/zinc/43/20/96/654432096.db2.gz WYZLHURSVZJTEK-WDEREUQCSA-N 1 0 379.306 2.484 20 0 GEADRO CC[NH+]1CCC(CNC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906393114 654433925 /nfs/dbraw/zinc/43/39/25/654433925.db2.gz DCUDCQRPEFQGDD-UHFFFAOYSA-N 1 0 382.302 2.407 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000855695686 654434113 /nfs/dbraw/zinc/43/41/13/654434113.db2.gz RFRHSQNDGQERAU-UHFFFAOYSA-N 1 0 377.432 2.391 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000855694879 654434129 /nfs/dbraw/zinc/43/41/29/654434129.db2.gz BJZGNNYXDOILMU-UHFFFAOYSA-N 1 0 395.301 2.022 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2nscc2I)C1 ZINC000906448938 654438646 /nfs/dbraw/zinc/43/86/46/654438646.db2.gz OQIZPMOTIVNEFH-VIFPVBQESA-N 1 0 379.267 2.209 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894034155 654441192 /nfs/dbraw/zinc/44/11/92/654441192.db2.gz LEOZXUZXSFNLQM-QEJZJMRPSA-N 1 0 390.343 2.013 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2c(I)cnn2C)C[C@@H]1C ZINC000894042508 654441557 /nfs/dbraw/zinc/44/15/57/654441557.db2.gz APIOBZKTXIKSSZ-RYUDHWBXSA-N 1 0 376.286 2.329 20 0 GEADRO COC(=O)c1cc(Br)c(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000923332337 654444888 /nfs/dbraw/zinc/44/48/88/654444888.db2.gz LEZGVLKORDFYKF-ZBINZKHDSA-N 1 0 383.286 2.413 20 0 GEADRO Cn1cc(C[C@H]2CC[N@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)cn1 ZINC000894084695 654444960 /nfs/dbraw/zinc/44/49/60/654444960.db2.gz MYBHHICLMLUWOB-CYBMUJFWSA-N 1 0 381.933 2.431 20 0 GEADRO COC(=O)c1cc(Br)c(CN2C[C@@H](F)C[C@H]2C[NH3+])cc1OC ZINC000923343995 654445382 /nfs/dbraw/zinc/44/53/82/654445382.db2.gz OZKOXGRZEBMMOT-QWRGUYRKSA-N 1 0 375.238 2.115 20 0 GEADRO CC(C)[C@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)CC[NH2+]1 ZINC000923344432 654445433 /nfs/dbraw/zinc/44/54/33/654445433.db2.gz HKJNKHNROLILLY-GOEBONIOSA-N 1 0 375.282 2.258 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)c1 ZINC000873662981 654445661 /nfs/dbraw/zinc/44/56/61/654445661.db2.gz AYADOUZISTTXND-LLVKDONJSA-N 1 0 396.285 2.191 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000894090353 654446166 /nfs/dbraw/zinc/44/61/66/654446166.db2.gz SKQRONQWBWLRFC-YDHLFZDLSA-N 1 0 387.343 2.441 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000873666542 654446251 /nfs/dbraw/zinc/44/62/51/654446251.db2.gz KDOIFGSGMLJJKH-OLZOCXBDSA-N 1 0 396.285 2.139 20 0 GEADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2sc(N3CCOCC3)nc2Cl)CN1 ZINC000894094765 654446420 /nfs/dbraw/zinc/44/64/20/654446420.db2.gz NEXUXMNEUZMYKK-CHWSQXEVSA-N 1 0 384.933 2.124 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000873683892 654448370 /nfs/dbraw/zinc/44/83/70/654448370.db2.gz LNAPJISLTPRBAO-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1cnnn1-c1ccccc1Br ZINC000906559296 654448573 /nfs/dbraw/zinc/44/85/73/654448573.db2.gz XVARYEJZSCGDQS-UHFFFAOYSA-N 1 0 378.274 2.198 20 0 GEADRO O=C(NCc1cnc(Br)cn1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000923399834 654449724 /nfs/dbraw/zinc/44/97/24/654449724.db2.gz HTTCBJRBALESAN-CQSZACIVSA-N 1 0 382.306 2.445 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccccc1Br ZINC000906584637 654451119 /nfs/dbraw/zinc/45/11/19/654451119.db2.gz LESAZKVLKFNOGC-GFCCVEGCSA-N 1 0 378.274 2.162 20 0 GEADRO Cc1c(C(=O)N[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccccc1Br ZINC000906584638 654451410 /nfs/dbraw/zinc/45/14/10/654451410.db2.gz LESAZKVLKFNOGC-LBPRGKRZSA-N 1 0 378.274 2.162 20 0 GEADRO C[C@@H](CNCc1c(I)cnn1C)[N@@H+]1CCCC[C@@H]1C ZINC000894175779 654452798 /nfs/dbraw/zinc/45/27/98/654452798.db2.gz LONANJAXGHYZIL-RYUDHWBXSA-N 1 0 376.286 2.377 20 0 GEADRO O=C(c1nscc1I)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000906610277 654453424 /nfs/dbraw/zinc/45/34/24/654453424.db2.gz CCDYQBVRAGQBNW-SNVBAGLBSA-N 1 0 391.278 2.448 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923463268 654454100 /nfs/dbraw/zinc/45/41/00/654454100.db2.gz QFAFYJRXHKGGAI-JLJPHGGASA-N 1 0 380.330 2.480 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@]([NH3+])(CO)C1 ZINC000923480761 654455055 /nfs/dbraw/zinc/45/50/55/654455055.db2.gz RSQDGZDLVAVYBC-ZUZCIYMTSA-N 1 0 379.810 2.471 20 0 GEADRO Cn1cc(CN[C@H](Cc2ccccc2)C[NH+](C)C)c(I)n1 ZINC000894201048 654455074 /nfs/dbraw/zinc/45/50/74/654455074.db2.gz ZXEPYRIXMSJEAB-OAHLLOKOSA-N 1 0 398.292 2.287 20 0 GEADRO COc1ccccc1N1CCC([NH2+]Cc2nc(Br)nn2C)CC1 ZINC000894207953 654455592 /nfs/dbraw/zinc/45/55/92/654455592.db2.gz BRBWQAZOVZNCFF-UHFFFAOYSA-N 1 0 380.290 2.345 20 0 GEADRO CN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000906648201 654456346 /nfs/dbraw/zinc/45/63/46/654456346.db2.gz NAZIIYXIYJYXQG-OAHLLOKOSA-N 1 0 380.286 2.112 20 0 GEADRO COCCC[NH+]1CCC(NCc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894214936 654456829 /nfs/dbraw/zinc/45/68/29/654456829.db2.gz LJCIRDYIKUCZGN-UHFFFAOYSA-N 1 0 388.965 2.224 20 0 GEADRO CN(CC[NH2+]C[C@H]1C[C@]1(C)Br)S(=O)(=O)c1ccc(F)cc1 ZINC000894222212 654457292 /nfs/dbraw/zinc/45/72/92/654457292.db2.gz RRSINTMSAPTBAN-RISCZKNCSA-N 1 0 379.295 2.209 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000906661671 654457693 /nfs/dbraw/zinc/45/76/93/654457693.db2.gz SLDXYCSZGBTKDZ-CYBMUJFWSA-N 1 0 398.349 2.125 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906667067 654458143 /nfs/dbraw/zinc/45/81/43/654458143.db2.gz SLSQPXLXXLSWSB-UHFFFAOYSA-N 1 0 395.301 2.280 20 0 GEADRO Cn1cc(C[NH2+]C[C@@]2(O)CCCc3ccccc32)c(I)n1 ZINC000894252682 654459373 /nfs/dbraw/zinc/45/93/73/654459373.db2.gz NALKCIRHRBVUIT-INIZCTEOSA-N 1 0 397.260 2.338 20 0 GEADRO C[C@H](CNC(=O)Cc1cc(Br)ccc1Cl)N1CC[NH+](C)CC1 ZINC000906684226 654459638 /nfs/dbraw/zinc/45/96/38/654459638.db2.gz YVFCVJGUKXKWJB-GFCCVEGCSA-N 1 0 388.737 2.397 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(Cn2cc(Cl)cn2)s1)N1CC[NH+](C)CC1 ZINC000906683765 654459691 /nfs/dbraw/zinc/45/96/91/654459691.db2.gz PGMVXKFJJLKXGD-ZDUSSCGKSA-N 1 0 381.933 2.012 20 0 GEADRO C[C@H]([NH2+][C@H]1COc2cc(F)c(Br)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000894263231 654461133 /nfs/dbraw/zinc/46/11/33/654461133.db2.gz PAXGXHOXRSQSLX-RVBZMBCESA-N 1 0 378.263 2.435 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)ccc1Br ZINC000906700710 654461972 /nfs/dbraw/zinc/46/19/72/654461972.db2.gz KCCJPIJBUBZQBR-CQSZACIVSA-N 1 0 398.301 2.289 20 0 GEADRO Cn1cc(C[NH2+]C[C@](C)(O)c2ccsc2)c(I)n1 ZINC000894285016 654461986 /nfs/dbraw/zinc/46/19/86/654461986.db2.gz UDYPVCRJRVUCNE-LBPRGKRZSA-N 1 0 377.251 2.084 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000906702256 654462501 /nfs/dbraw/zinc/46/25/01/654462501.db2.gz WPULWJNQBBBFMZ-LLVKDONJSA-N 1 0 375.803 2.037 20 0 GEADRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894286507 654462646 /nfs/dbraw/zinc/46/26/46/654462646.db2.gz DGJIYAGNKMANAY-CMPLNLGQSA-N 1 0 399.456 2.022 20 0 GEADRO Cn1cc(C[NH2+]C[C@H](CCO)c2ccccc2)c(I)n1 ZINC000894289116 654462715 /nfs/dbraw/zinc/46/27/15/654462715.db2.gz HRKIKWFQOUJVMV-ZDUSSCGKSA-N 1 0 385.249 2.281 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000894306238 654463736 /nfs/dbraw/zinc/46/37/36/654463736.db2.gz YSNASYALLYPQOT-UHFFFAOYSA-N 1 0 379.287 2.428 20 0 GEADRO Cc1cccc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c1Br ZINC000906715608 654463908 /nfs/dbraw/zinc/46/39/08/654463908.db2.gz XUAPAVOEZMYOIS-UHFFFAOYSA-N 1 0 380.286 2.344 20 0 GEADRO O=c1cc(CN2CC[C@]3(C2)CCCC[NH2+]3)nc2ccc(Br)cn12 ZINC000923535979 654463995 /nfs/dbraw/zinc/46/39/95/654463995.db2.gz GQLHALJDLFWWBJ-KRWDZBQOSA-N 1 0 377.286 2.175 20 0 GEADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000906737508 654466011 /nfs/dbraw/zinc/46/60/11/654466011.db2.gz DDVFBIRPIPKOAF-JTQLQIEISA-N 1 0 390.228 2.314 20 0 GEADRO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000906735911 654466131 /nfs/dbraw/zinc/46/61/31/654466131.db2.gz RABNKTBZEKBMRQ-SNVBAGLBSA-N 1 0 390.228 2.314 20 0 GEADRO Cn1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(I)n1 ZINC000894343577 654467162 /nfs/dbraw/zinc/46/71/62/654467162.db2.gz FSZDFSVDFYCGGX-WCQYABFASA-N 1 0 393.294 2.169 20 0 GEADRO C[C@H]1CN(C(=O)NCc2cnc(Br)cn2)CCN1c1cc[nH+]cc1 ZINC000923548651 654467495 /nfs/dbraw/zinc/46/74/95/654467495.db2.gz WDEBPJUHXIVRCN-LBPRGKRZSA-N 1 0 391.273 2.054 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)NCc3cnc(Br)cn3)CC2)CC1 ZINC000923548102 654467505 /nfs/dbraw/zinc/46/75/05/654467505.db2.gz NJPSHRIKSPDGTG-UHFFFAOYSA-N 1 0 382.306 2.257 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000873813270 654468410 /nfs/dbraw/zinc/46/84/10/654468410.db2.gz KNMZMXQVHZRWFO-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCc1cnc(Br)cn1 ZINC000923558581 654468848 /nfs/dbraw/zinc/46/88/48/654468848.db2.gz XXXDESJWUMWLJP-GFCCVEGCSA-N 1 0 391.273 2.054 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000894358216 654468895 /nfs/dbraw/zinc/46/88/95/654468895.db2.gz DIQCKGAGWXCFLC-ZDUSSCGKSA-N 1 0 379.917 2.397 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCSCC(F)(F)F ZINC000894362655 654469408 /nfs/dbraw/zinc/46/94/08/654469408.db2.gz XMFKZVOMPJCLAF-UHFFFAOYSA-N 1 0 379.189 2.410 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000923574901 654469813 /nfs/dbraw/zinc/46/98/13/654469813.db2.gz AIQKHORGOCHZKC-UHFFFAOYSA-N 1 0 381.523 2.329 20 0 GEADRO CCOc1cc(CN(C)S(=O)(=O)[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000923587697 654470202 /nfs/dbraw/zinc/47/02/02/654470202.db2.gz CQDSYCKVQXUYQL-CYBMUJFWSA-N 1 0 378.441 2.200 20 0 GEADRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1c(I)cnn1C ZINC000894371101 654470502 /nfs/dbraw/zinc/47/05/02/654470502.db2.gz VGAZWMIFQLKKBP-CABZTGNLSA-N 1 0 375.210 2.220 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC[C@@]34CC[NH2+]C4)n2)s1 ZINC000906774062 654471079 /nfs/dbraw/zinc/47/10/79/654471079.db2.gz ZDAZDXGRHCJVQO-KRWDZBQOSA-N 1 0 376.507 2.473 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1F)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906774083 654471120 /nfs/dbraw/zinc/47/11/20/654471120.db2.gz ZMLGVQDZWHDIJW-OAHLLOKOSA-N 1 0 388.212 2.020 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)c2nscc2I)CC[N@@H+]1C ZINC000906794281 654472761 /nfs/dbraw/zinc/47/27/61/654472761.db2.gz UWOXYUCWSYYARQ-DTWKUNHWSA-N 1 0 379.267 2.302 20 0 GEADRO Nc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(Br)n1 ZINC000873856084 654473314 /nfs/dbraw/zinc/47/33/14/654473314.db2.gz AERMOKWMGAWUGY-CQSZACIVSA-N 1 0 375.270 2.431 20 0 GEADRO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCc2cc(F)cc(Br)c2C1 ZINC000923662152 654474491 /nfs/dbraw/zinc/47/44/91/654474491.db2.gz ASDZQPNYYGXMDL-LBPRGKRZSA-N 1 0 377.279 2.028 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000856283409 654474581 /nfs/dbraw/zinc/47/45/81/654474581.db2.gz YSKSJKNGULUPIH-UHFFFAOYSA-N 1 0 389.949 2.441 20 0 GEADRO O=S(=O)(Cc1c(Cl)cccc1Cl)NCCCCCN1CC[NH2+]CC1 ZINC000923683298 654475892 /nfs/dbraw/zinc/47/58/92/654475892.db2.gz ZHITWRNUQGXSIW-UHFFFAOYSA-N 1 0 394.368 2.488 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)NCc3cnc(Cl)s3)CC2)CC1 ZINC000923683589 654476251 /nfs/dbraw/zinc/47/62/51/654476251.db2.gz KHNTYQKVOHVLMB-UHFFFAOYSA-N 1 0 385.965 2.498 20 0 GEADRO COCC[C@H](Cc1ccco1)[NH2+]Cc1c(I)cnn1C ZINC000894446018 654476502 /nfs/dbraw/zinc/47/65/02/654476502.db2.gz VYXTUOAXMRWEKN-LLVKDONJSA-N 1 0 389.237 2.355 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1sccc1Br)CC2 ZINC000923685956 654476921 /nfs/dbraw/zinc/47/69/21/654476921.db2.gz FVRWOWSSLABWSA-JTQLQIEISA-N 1 0 395.344 2.029 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000923686269 654476946 /nfs/dbraw/zinc/47/69/46/654476946.db2.gz JWAUYDQSUXVKNI-CYBMUJFWSA-N 1 0 378.416 2.224 20 0 GEADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NCc3cnc(Cl)s3)CC2)CC1 ZINC000923689936 654477659 /nfs/dbraw/zinc/47/76/59/654477659.db2.gz OFMFPBVYOPSQJF-UHFFFAOYSA-N 1 0 385.965 2.497 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000923698248 654478685 /nfs/dbraw/zinc/47/86/85/654478685.db2.gz FBTOCSFVXXNSLR-OCCSQVGLSA-N 1 0 382.917 2.440 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000894474760 654479287 /nfs/dbraw/zinc/47/92/87/654479287.db2.gz FOGVEOQLTGZFJZ-KBPBESRZSA-N 1 0 375.254 2.320 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923701395 654479309 /nfs/dbraw/zinc/47/93/09/654479309.db2.gz UNSCGBCAJXHOSJ-VXGBXAGGSA-N 1 0 382.507 2.293 20 0 GEADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923701934 654479320 /nfs/dbraw/zinc/47/93/20/654479320.db2.gz KXKUIBMTBNTWLK-FATZIPQQSA-N 1 0 379.592 2.229 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c(C)c1Cl ZINC000923703282 654479672 /nfs/dbraw/zinc/47/96/72/654479672.db2.gz OKMFOPAOTUOTAP-PSASIEDQSA-N 1 0 380.919 2.102 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923715321 654480744 /nfs/dbraw/zinc/48/07/44/654480744.db2.gz RMVKKGGTEMHKQE-CMPLNLGQSA-N 1 0 393.734 2.474 20 0 GEADRO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCc2cc(Br)c(F)cc2C1 ZINC000923727866 654481085 /nfs/dbraw/zinc/48/10/85/654481085.db2.gz BLEQMWJDXGTPFZ-GFCCVEGCSA-N 1 0 377.279 2.028 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)c2ccc(Br)s2)CCO1 ZINC000856429641 654481199 /nfs/dbraw/zinc/48/11/99/654481199.db2.gz HZQLDWPFUAVKPZ-LLVKDONJSA-N 1 0 389.315 2.263 20 0 GEADRO Cc1sc(Br)nc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856431415 654481214 /nfs/dbraw/zinc/48/12/14/654481214.db2.gz RXPVTGUSJIUSQK-NSHDSACASA-N 1 0 376.320 2.397 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Br)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923733002 654481393 /nfs/dbraw/zinc/48/13/93/654481393.db2.gz ZRILIMVAWUFDLR-AWEZNQCLSA-N 1 0 377.279 2.495 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CC[C@]4(C3)CCCC[NH2+]4)cc2N1 ZINC000923731111 654481415 /nfs/dbraw/zinc/48/14/15/654481415.db2.gz KFSWIISZBQGADF-KRWDZBQOSA-N 1 0 383.901 2.131 20 0 GEADRO COc1ncc(S(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1Cl ZINC000923738928 654482088 /nfs/dbraw/zinc/48/20/88/654482088.db2.gz DUROHSOHQDURDI-XFHMXUHZSA-N 1 0 381.885 2.081 20 0 GEADRO Cc1ncc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC000923742755 654482660 /nfs/dbraw/zinc/48/26/60/654482660.db2.gz BQOPYTQEARHREF-ZIAGYGMSSA-N 1 0 379.507 2.123 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCCCn1cc(Br)cn1 ZINC000894517133 654482609 /nfs/dbraw/zinc/48/26/09/654482609.db2.gz FLYPZGKKLCGTDC-GJZGRUSLSA-N 1 0 384.322 2.304 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC000923745609 654482722 /nfs/dbraw/zinc/48/27/22/654482722.db2.gz OKSNGJVJHVACSV-LBPRGKRZSA-N 1 0 380.491 2.251 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCSC)C(=O)NC)C[C@@H]1C(F)(F)F ZINC000894521678 654482984 /nfs/dbraw/zinc/48/29/84/654482984.db2.gz ZCIPPBZOYZIIBN-RNJOBUHISA-N 1 0 384.464 2.354 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCS(=O)(=O)C(C)C ZINC000894526914 654483217 /nfs/dbraw/zinc/48/32/17/654483217.db2.gz RCCUHPLRBAEXLN-UHFFFAOYSA-N 1 0 377.304 2.320 20 0 GEADRO C[NH+]1CCC(OCC(=O)OCc2cc3c(cc2Br)OCO3)CC1 ZINC000923786337 654483472 /nfs/dbraw/zinc/48/34/72/654483472.db2.gz FGUORGDQCQSHAP-UHFFFAOYSA-N 1 0 386.242 2.332 20 0 GEADRO Cc1cc(NC(=O)COC(=O)COC2CC[NH+](C)CC2)ccc1Br ZINC000923793819 654483638 /nfs/dbraw/zinc/48/36/38/654483638.db2.gz BJPXZHKKNBZAPF-UHFFFAOYSA-N 1 0 399.285 2.350 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)cc1OC)[C@@H]1CC[N@H+](CC)C1 ZINC000873939478 654485827 /nfs/dbraw/zinc/48/58/27/654485827.db2.gz CORHGKXEYLITQK-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856717198 654486071 /nfs/dbraw/zinc/48/60/71/654486071.db2.gz CBGROPRLKKQRQM-UHFFFAOYSA-N 1 0 382.302 2.148 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cnc(Br)cn2)CC1 ZINC000856725036 654486777 /nfs/dbraw/zinc/48/67/77/654486777.db2.gz CWYNEJWXYDOBOI-UHFFFAOYSA-N 1 0 398.349 2.160 20 0 GEADRO C[C@H]1C[C@@H]([NH2+]Cc2nc(Br)nn2C)CCN1C(=O)OC(C)(C)C ZINC000894581487 654488441 /nfs/dbraw/zinc/48/84/41/654488441.db2.gz LZXYNKINAPAOBZ-QWRGUYRKSA-N 1 0 388.310 2.455 20 0 GEADRO CC1CC[NH+](CCCNC(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000856743903 654489710 /nfs/dbraw/zinc/48/97/10/654489710.db2.gz ZLAIOWWVPNSXHQ-UHFFFAOYSA-N 1 0 385.306 2.028 20 0 GEADRO 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C[C@@H]([NH2+]C[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1)c1cccc(Br)n1 ZINC000926705762 654580803 /nfs/dbraw/zinc/58/08/03/654580803.db2.gz CEZXAJXNQNGVSQ-PVUWLOKVSA-N 1 0 394.317 2.300 20 0 GEADRO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926735210 654581016 /nfs/dbraw/zinc/58/10/16/654581016.db2.gz DIKQBXAYUPSMML-PWSUYJOCSA-N 1 0 379.309 2.180 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907850358 654583126 /nfs/dbraw/zinc/58/31/26/654583126.db2.gz MADQHHYFLHEKJG-UHFFFAOYSA-N 1 0 389.315 2.317 20 0 GEADRO CCO[C@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000926835040 654583199 /nfs/dbraw/zinc/58/31/99/654583199.db2.gz WQFFXEZMBQKLGL-DOMZBBRYSA-N 1 0 378.300 2.293 20 0 GEADRO CN(C)S(=O)(=O)C1(C[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000926872605 654583832 /nfs/dbraw/zinc/58/38/32/654583832.db2.gz HGXAXEFCHIMCMQ-CQSZACIVSA-N 1 0 388.331 2.235 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000926927385 654584482 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2.380 20 0 GEADRO CN(C)c1cc[nH+]c(CNC(=O)c2cc(Br)cn(C3CC3)c2=O)c1 ZINC000927711101 654610889 /nfs/dbraw/zinc/61/08/89/654610889.db2.gz KQNHEBWNXYEPHA-UHFFFAOYSA-N 1 0 391.269 2.337 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000908191678 654611847 /nfs/dbraw/zinc/61/18/47/654611847.db2.gz UGCGUNIUKLGZAJ-FZMZJTMJSA-N 1 0 385.295 2.203 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc(Br)cc1C(F)(F)F ZINC000927789974 654614382 /nfs/dbraw/zinc/61/43/82/654614382.db2.gz CYLZEBODZKNVAW-SECBINFHSA-N 1 0 394.191 2.193 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1C ZINC000927793903 654614689 /nfs/dbraw/zinc/61/46/89/654614689.db2.gz IFBKBFIWGVGSRP-UHFFFAOYSA-N 1 0 396.207 2.441 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000927822691 654615889 /nfs/dbraw/zinc/61/58/89/654615889.db2.gz XFFFWMDIAHZXOZ-RKDXNWHRSA-N 1 0 390.228 2.028 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000927843410 654616735 /nfs/dbraw/zinc/61/67/35/654616735.db2.gz WZDIMAOXKOGKCJ-GHMZBOCLSA-N 1 0 394.191 2.044 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1Br ZINC000927851853 654617511 /nfs/dbraw/zinc/61/75/11/654617511.db2.gz IGBOQYNSUYONOM-GFCCVEGCSA-N 1 0 386.315 2.305 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1ccc(Cl)cc1Br)C(C)C ZINC000927863596 654618185 /nfs/dbraw/zinc/61/81/85/654618185.db2.gz RCMLCZZAYBSUOB-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N(CC[NH2+]C)C(C)C)cc1Br ZINC000927864708 654618427 /nfs/dbraw/zinc/61/84/27/654618427.db2.gz FUWUUMAYFHRXLZ-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[C@H]1C[NH3+] ZINC000927888567 654619838 /nfs/dbraw/zinc/61/98/38/654619838.db2.gz BFYRLWFTXQQYKH-ZJUUUORDSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[C@H]1C[NH3+] ZINC000927888565 654619853 /nfs/dbraw/zinc/61/98/53/654619853.db2.gz BFYRLWFTXQQYKH-UWVGGRQHSA-N 1 0 388.693 2.484 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c(Br)c1 ZINC000927890219 654620221 /nfs/dbraw/zinc/62/02/21/654620221.db2.gz MQHDKOREXRLSCD-OLZOCXBDSA-N 1 0 382.302 2.448 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[C@H]1C[NH3+] ZINC000927890284 654620227 /nfs/dbraw/zinc/62/02/27/654620227.db2.gz NVPNGRASMFFGMA-BDAKNGLRSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1C[NH3+] ZINC000927893836 654620738 /nfs/dbraw/zinc/62/07/38/654620738.db2.gz PDKUKOOCMQCSHV-ZJUUUORDSA-N 1 0 375.803 2.323 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000927894141 654620895 /nfs/dbraw/zinc/62/08/95/654620895.db2.gz PEVBONSQKKDUOM-STQMWFEESA-N 1 0 382.302 2.448 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000927925628 654621830 /nfs/dbraw/zinc/62/18/30/654621830.db2.gz UNFONQBARQIDLM-KRWDZBQOSA-N 1 0 396.285 2.141 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1Br ZINC000927931394 654622384 /nfs/dbraw/zinc/62/23/84/654622384.db2.gz XEJWSPSZURQMAT-ZJUUUORDSA-N 1 0 386.315 2.353 20 0 GEADRO O=C(CCc1nc(-c2cccs2)no1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928096900 654630565 /nfs/dbraw/zinc/63/05/65/654630565.db2.gz NNNXKRISDMQFJA-QWHCGFSZSA-N 1 0 378.523 2.427 20 0 GEADRO O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928097527 654630918 /nfs/dbraw/zinc/63/09/18/654630918.db2.gz PUBOIVLAELHHRM-UONOGXRCSA-N 1 0 378.523 2.427 20 0 GEADRO CO[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)s1 ZINC000908539989 654633491 /nfs/dbraw/zinc/63/34/91/654633491.db2.gz DFJNLVDJHQALNW-RISCZKNCSA-N 1 0 391.331 2.161 20 0 GEADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928358353 654643083 /nfs/dbraw/zinc/64/30/83/654643083.db2.gz RJAMYHWQJQOFDI-HNNXBMFYSA-N 1 0 395.301 2.013 20 0 GEADRO C[C@H]1[C@@H](NC(=O)c2cnn(C(C)(C)C)c2I)CC[N@@H+]1C ZINC000928427303 654646957 /nfs/dbraw/zinc/64/69/57/654646957.db2.gz IZLZFMCUPXBFHZ-ONGXEEELSA-N 1 0 390.269 2.065 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)c2ncc(Br)cc2Br)CC[N@@H+]1C ZINC000928438018 654647101 /nfs/dbraw/zinc/64/71/01/654647101.db2.gz LVZQDYXJPUVVCU-XCBNKYQSSA-N 1 0 377.080 2.429 20 0 GEADRO C[C@@H]1[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000928443030 654647398 /nfs/dbraw/zinc/64/73/98/654647398.db2.gz SFVZVIBDORQABH-DAXOMENPSA-N 1 0 394.313 2.149 20 0 GEADRO C[C@@H]1[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000928454851 654648390 /nfs/dbraw/zinc/64/83/90/654648390.db2.gz LOOHYEIEKQJUPM-BXUZGUMPSA-N 1 0 383.290 2.170 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000909264943 654657817 /nfs/dbraw/zinc/65/78/17/654657817.db2.gz UFAUXLJSZFHAHN-UHFFFAOYSA-N 1 0 377.286 2.429 20 0 GEADRO Nc1c(Cl)c(F)cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1Cl ZINC000909315396 654659255 /nfs/dbraw/zinc/65/92/55/654659255.db2.gz IVQCJSXHMIKNGW-UHFFFAOYSA-N 1 0 391.274 2.047 20 0 GEADRO CCn1c(Br)ncc1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928829478 654661934 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380.290 2.408 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N1CCC[C@H]1c1ccccc1Cl ZINC000912394835 654752276 /nfs/dbraw/zinc/75/22/76/654752276.db2.gz PMQIWDOXTONFIJ-NQZOLGFYSA-N 1 0 382.913 2.026 20 0 GEADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ncc(Br)cn2)CC1 ZINC000931676432 654752996 /nfs/dbraw/zinc/75/29/96/654752996.db2.gz YANWHZLXXJDFRL-UHFFFAOYSA-N 1 0 379.262 2.345 20 0 GEADRO O[C@H](CCC1(O)CCC1)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000931685651 654753226 /nfs/dbraw/zinc/75/32/26/654753226.db2.gz SOMLJCNLNNSIMR-NUJGCVRESA-N 1 0 384.314 2.445 20 0 GEADRO CC(C)C[C@@](C)(C[NH3+])C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000912453973 654754665 /nfs/dbraw/zinc/75/46/65/654754665.db2.gz JTXXTAWDKPVQOS-KRWDZBQOSA-N 1 0 387.571 2.029 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1=O ZINC000931769528 654756439 /nfs/dbraw/zinc/75/64/39/654756439.db2.gz WYNINAQSVIOBRD-CYBMUJFWSA-N 1 0 382.302 2.238 20 0 GEADRO O=C(Nc1nc2ccc(Cl)nc2s1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931848753 654758947 /nfs/dbraw/zinc/75/89/47/654758947.db2.gz BASWZZLNPBQTAX-RYUDHWBXSA-N 1 0 381.889 2.408 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000931881572 654760581 /nfs/dbraw/zinc/76/05/81/654760581.db2.gz DGUWHDNRTYJOSO-OAHLLOKOSA-N 1 0 396.329 2.255 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc3ncc(Br)cn3n2)C12CCC2 ZINC000912603038 654760680 /nfs/dbraw/zinc/76/06/80/654760680.db2.gz RKNBDXCQBPOLDW-OLZOCXBDSA-N 1 0 378.274 2.094 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1ccc(Br)cc1C(F)(F)F ZINC000912607521 654760729 /nfs/dbraw/zinc/76/07/29/654760729.db2.gz HETCMQRSIHBYSA-UHFFFAOYSA-N 1 0 383.208 2.464 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000931897234 654761058 /nfs/dbraw/zinc/76/10/58/654761058.db2.gz KCOSIENNRKXIAI-AWEZNQCLSA-N 1 0 380.286 2.429 20 0 GEADRO O[C@@H](C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1)c1cc(Br)no1 ZINC000931909131 654761383 /nfs/dbraw/zinc/76/13/83/654761383.db2.gz REEJMTKHFUZOFX-KEYYUXOJSA-N 1 0 379.254 2.371 20 0 GEADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000912649108 654762053 /nfs/dbraw/zinc/76/20/53/654762053.db2.gz OVQWVNHPLCTGTA-OCCSQVGLSA-N 1 0 387.933 2.322 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000931999796 654763547 /nfs/dbraw/zinc/76/35/47/654763547.db2.gz UQQKMZAIKDTWNY-SWLSCSKDSA-N 1 0 381.270 2.397 20 0 GEADRO O=C1[C@H]([N@@H+]2CC[C@@H](C3OCCO3)C2)CCN1c1cccc(Br)c1 ZINC000932000301 654763880 /nfs/dbraw/zinc/76/38/80/654763880.db2.gz BYBHROXSIAFFPI-IUODEOHRSA-N 1 0 381.270 2.249 20 0 GEADRO C[NH+]1CCC(NC(=O)CN2CCc3ccc(Br)c(F)c3C2)CC1 ZINC000932014600 654764284 /nfs/dbraw/zinc/76/42/84/654764284.db2.gz WNEOAMJDNLEJHG-UHFFFAOYSA-N 1 0 384.293 2.157 20 0 GEADRO C[C@@H](CNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[NH+]1CCCC1 ZINC000932028502 654764444 /nfs/dbraw/zinc/76/44/44/654764444.db2.gz HIZHCINXBUUTIB-FZMZJTMJSA-N 1 0 380.286 2.475 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cnc2Br)C1 ZINC000932072848 654765467 /nfs/dbraw/zinc/76/54/67/654765467.db2.gz ZYDNHGLYJMFUHE-SECBINFHSA-N 1 0 377.080 2.431 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H](O)c2cccc(Br)c2)CCO1 ZINC000912733185 654765878 /nfs/dbraw/zinc/76/58/78/654765878.db2.gz NGLJEQGSHIBLEW-JKSUJKDBSA-N 1 0 385.302 2.052 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000932150169 654768084 /nfs/dbraw/zinc/76/80/84/654768084.db2.gz NZDCSQIUKXBOHL-CYBMUJFWSA-N 1 0 393.285 2.233 20 0 GEADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1c[nH]nc1I ZINC000912802190 654768962 /nfs/dbraw/zinc/76/89/62/654768962.db2.gz AOLHLKGVSSNPCC-ZYHUDNBSSA-N 1 0 390.269 2.207 20 0 GEADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1nc2ncc(Br)cn2n1 ZINC000912813563 654769122 /nfs/dbraw/zinc/76/91/22/654769122.db2.gz LMHHZCAVQVOOPY-DGCLKSJQSA-N 1 0 395.305 2.079 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)cc(Br)c1F ZINC000932185856 654769422 /nfs/dbraw/zinc/76/94/22/654769422.db2.gz HGLZZCXSTSJLIR-JTQLQIEISA-N 1 0 376.245 2.093 20 0 GEADRO Cn1c(SCC(=O)N2CCC([NH+]3CCC3)CC2)nnc1-c1cccs1 ZINC000912879628 654772502 /nfs/dbraw/zinc/77/25/02/654772502.db2.gz INVSDUIXUVDOME-UHFFFAOYSA-N 1 0 377.539 2.332 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cnnn2-c2cccc(Cl)c2Cl)C1 ZINC000932263249 654773527 /nfs/dbraw/zinc/77/35/27/654773527.db2.gz QTEKWKWWEWVDSM-LLVKDONJSA-N 1 0 384.267 2.025 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000932297903 654774383 /nfs/dbraw/zinc/77/43/83/654774383.db2.gz FJDSQAJNPISSHW-OCCSQVGLSA-N 1 0 392.297 2.475 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCC2)C1)c1ccc(Br)cc1 ZINC000912923874 654774515 /nfs/dbraw/zinc/77/45/15/654774515.db2.gz LMJOBHQGQNNCCG-SJORKVTESA-N 1 0 394.313 2.323 20 0 GEADRO C[C@H]1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCO1 ZINC000932349476 654775966 /nfs/dbraw/zinc/77/59/66/654775966.db2.gz FQTRYYRFMMSZLB-ZDUSSCGKSA-N 1 0 387.311 2.148 20 0 GEADRO C[NH+](C)C1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000932361224 654776050 /nfs/dbraw/zinc/77/60/50/654776050.db2.gz KJQJHBHTMIQMIA-CQSZACIVSA-N 1 0 380.286 2.428 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000932432129 654777581 /nfs/dbraw/zinc/77/75/81/654777581.db2.gz DSZPXQMMDXJGIT-JTQLQIEISA-N 1 0 397.273 2.386 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(Cl)cccc1C(F)(F)F ZINC000912991777 654777896 /nfs/dbraw/zinc/77/78/96/654777896.db2.gz STJVUNPEKXSEPN-LBPRGKRZSA-N 1 0 377.794 2.428 20 0 GEADRO Cc1ccc2[nH]c(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2c1Br ZINC000932524125 654780130 /nfs/dbraw/zinc/78/01/30/654780130.db2.gz CTKKNBZJNGGBDG-GFCCVEGCSA-N 1 0 379.302 2.214 20 0 GEADRO Cc1ccc(Br)c2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)[nH]c21 ZINC000932527373 654780342 /nfs/dbraw/zinc/78/03/42/654780342.db2.gz UYBQSLIZEWSEML-GFCCVEGCSA-N 1 0 379.302 2.214 20 0 GEADRO Cc1ccc(Br)c2[nH]c(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc21 ZINC000932527004 654780413 /nfs/dbraw/zinc/78/04/13/654780413.db2.gz OELDUPJFCUSJTI-GFCCVEGCSA-N 1 0 379.302 2.214 20 0 GEADRO Cc1cc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cnc1Br ZINC000932623425 654783805 /nfs/dbraw/zinc/78/38/05/654783805.db2.gz XEQWPCXROUWMDT-AWEZNQCLSA-N 1 0 381.318 2.051 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)C1 ZINC000932619577 654783813 /nfs/dbraw/zinc/78/38/13/654783813.db2.gz NYTGHUVNAOTPRG-CQSZACIVSA-N 1 0 383.583 2.483 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000932704439 654786055 /nfs/dbraw/zinc/78/60/55/654786055.db2.gz VBLBLWDTWQLMFT-ZDUSSCGKSA-N 1 0 384.318 2.214 20 0 GEADRO C[C@@H](CNC(=O)c1cc(Br)cnc1C1CC1)C[NH+]1CCN(C)CC1 ZINC000932714743 654786389 /nfs/dbraw/zinc/78/63/89/654786389.db2.gz QLYPGHYWRMXCFT-ZDUSSCGKSA-N 1 0 395.345 2.335 20 0 GEADRO Cc1ccc(Br)c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)n1 ZINC000932721477 654786773 /nfs/dbraw/zinc/78/67/73/654786773.db2.gz JMPFETLJOXKMST-UHFFFAOYSA-N 1 0 383.334 2.156 20 0 GEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3csc(I)n3)C[C@@]2(C)C1 ZINC000913276704 654787739 /nfs/dbraw/zinc/78/77/39/654787739.db2.gz KYQZMHXOUHCPKW-CHWSQXEVSA-N 1 0 391.278 2.162 20 0 GEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)C[C@]2(C)C1 ZINC000913291740 654787858 /nfs/dbraw/zinc/78/78/58/654787858.db2.gz ZJMNKBWUKIOXLK-IRXDYDNUSA-N 1 0 385.917 2.125 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2cnc(C)c(Br)c2C)CC[N@H+](C)C1 ZINC000932772652 654789537 /nfs/dbraw/zinc/78/95/37/654789537.db2.gz NQRQDVGJAVMEKS-GFCCVEGCSA-N 1 0 399.289 2.029 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(C)([NH+](C)C)CC2)ccc1Cl ZINC000913401498 654790455 /nfs/dbraw/zinc/79/04/55/654790455.db2.gz QEMLGVLWUWATNF-UHFFFAOYSA-N 1 0 387.933 2.147 20 0 GEADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1nc3cc(Br)ccc3o1)CC2 ZINC000932835479 654792851 /nfs/dbraw/zinc/79/28/51/654792851.db2.gz LHNWMEMYSWGIMR-LBPRGKRZSA-N 1 0 394.269 2.053 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ncc(Br)cn2)[C@@H](C)C1 ZINC000932948991 654796287 /nfs/dbraw/zinc/79/62/87/654796287.db2.gz NJPSHFFDKRTJJM-JSGCOSHPSA-N 1 0 385.306 2.106 20 0 GEADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000913537557 654797299 /nfs/dbraw/zinc/79/72/99/654797299.db2.gz JQUKIKTWVLZJGF-MJBXVCDLSA-N 1 0 392.297 2.107 20 0 GEADRO NS(=O)(=O)C[C@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000932962418 654798775 /nfs/dbraw/zinc/79/87/75/654798775.db2.gz QKCWJJARMUYJOA-ZDUSSCGKSA-N 1 0 380.432 2.475 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)c3cc4ncc(Br)cn4n3)CC2)CC1 ZINC000913656135 654803117 /nfs/dbraw/zinc/80/31/17/654803117.db2.gz LPVHAPCLONEDJD-UHFFFAOYSA-N 1 0 392.301 2.440 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000913677013 654803772 /nfs/dbraw/zinc/80/37/72/654803772.db2.gz WEMZCORRSRFHRA-UHFFFAOYSA-N 1 0 384.318 2.044 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000913677649 654803777 /nfs/dbraw/zinc/80/37/77/654803777.db2.gz YNPZDECSSDNWNR-UHFFFAOYSA-N 1 0 396.285 2.048 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000913677033 654803809 /nfs/dbraw/zinc/80/38/09/654803809.db2.gz XDIDLMCDZYCKDX-UHFFFAOYSA-N 1 0 391.256 2.185 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)CCc2cc(F)ccc2Br)CC1 ZINC000913678645 654803952 /nfs/dbraw/zinc/80/39/52/654803952.db2.gz QUCKJHURITZYLW-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000913683697 654804192 /nfs/dbraw/zinc/80/41/92/654804192.db2.gz ONTQJRJVWPTNLW-GVDBMIGSSA-N 1 0 393.325 2.250 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000913767703 654808397 /nfs/dbraw/zinc/80/83/97/654808397.db2.gz NOTSYLRFQNCCAE-HYVNUMGLSA-N 1 0 389.297 2.275 20 0 GEADRO O=C(NCc1ncc(Br)s1)C1CCC([NH+]2CCOCC2)CC1 ZINC000913771350 654808622 /nfs/dbraw/zinc/80/86/22/654808622.db2.gz LONXRIVPTNLQIN-UHFFFAOYSA-N 1 0 388.331 2.413 20 0 GEADRO CC(C)[NH+]1CCN(CCCC(=O)NCCOC(F)(F)C(F)(F)F)CC1 ZINC000913798289 654809700 /nfs/dbraw/zinc/80/97/00/654809700.db2.gz KEADLYMZQXCXKH-UHFFFAOYSA-N 1 0 375.382 2.081 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c1F ZINC000913821056 654811072 /nfs/dbraw/zinc/81/10/72/654811072.db2.gz QIDBHGXHSFLXGX-UHFFFAOYSA-N 1 0 395.294 2.312 20 0 GEADRO COc1ncc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000913825922 654811097 /nfs/dbraw/zinc/81/10/97/654811097.db2.gz VWAMLWCUDSVHRF-UKRRQHHQSA-N 1 0 379.507 2.457 20 0 GEADRO COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000933386592 654811332 /nfs/dbraw/zinc/81/13/32/654811332.db2.gz KUMDJQHKUREMIB-BXUZGUMPSA-N 1 0 375.847 2.191 20 0 GEADRO COc1ccc(C[C@](C)(CO)[NH2+]C[C@H](O)c2cc(Br)no2)cc1 ZINC000933431395 654812651 /nfs/dbraw/zinc/81/26/51/654812651.db2.gz ULRYACWLMZGEAE-XJKSGUPXSA-N 1 0 385.258 2.062 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000933440353 654813743 /nfs/dbraw/zinc/81/37/43/654813743.db2.gz KSEOEUXXTNNJCG-WBVHZDCISA-N 1 0 383.286 2.315 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000913913306 654815824 /nfs/dbraw/zinc/81/58/24/654815824.db2.gz YSRZEMMANZCXIA-NSHDSACASA-N 1 0 391.306 2.492 20 0 GEADRO O=C1NCCN1CC1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000933593014 654817587 /nfs/dbraw/zinc/81/75/87/654817587.db2.gz TYUHEBXMLSGFQF-MRXNPFEDSA-N 1 0 382.302 2.220 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(CC(=O)Nc3cccc(I)c3)C[C@]2(C)C1 ZINC000933739346 654824051 /nfs/dbraw/zinc/82/40/51/654824051.db2.gz UWDTZGFWQMXOSJ-WBMJQRKESA-N 1 0 399.276 2.113 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914077886 654824908 /nfs/dbraw/zinc/82/49/08/654824908.db2.gz AUEMWYAQXRUKEI-BETUJISGSA-N 1 0 384.322 2.406 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1cnn(C)c1I ZINC000933744667 654826051 /nfs/dbraw/zinc/82/60/51/654826051.db2.gz IPNZHTHSIIMQHB-UHFFFAOYSA-N 1 0 393.273 2.076 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC(C)(C)CS(C)(=O)=O)C1 ZINC000914101478 654826737 /nfs/dbraw/zinc/82/67/37/654826737.db2.gz JDDNRJSXUYVHBQ-IYBDPMFKSA-N 1 0 375.579 2.115 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1F ZINC000914111445 654827413 /nfs/dbraw/zinc/82/74/13/654827413.db2.gz HBINDLRDFGKHNY-SNVBAGLBSA-N 1 0 395.294 2.169 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccnn2Cc2ccc(Cl)s2)C1 ZINC000933918688 654829946 /nfs/dbraw/zinc/82/99/46/654829946.db2.gz CAPDNBFWQPYSKZ-GFCCVEGCSA-N 1 0 383.905 2.489 20 0 GEADRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cscc2C(F)F)CC1 ZINC000914156163 654830192 /nfs/dbraw/zinc/83/01/92/654830192.db2.gz SIBHXOPHPVFEKD-LLVKDONJSA-N 1 0 382.498 2.399 20 0 GEADRO Cc1ncc(CNC(=O)CC[N@H+]2CCCSC[C@H]2c2cnn(C)c2)s1 ZINC000933974049 654832310 /nfs/dbraw/zinc/83/23/10/654832310.db2.gz QFCSKZXOFIAVFQ-INIZCTEOSA-N 1 0 379.555 2.372 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc(F)c2Br)CC[N@@H+]1C ZINC000914185289 654833444 /nfs/dbraw/zinc/83/34/44/654833444.db2.gz AZJFHJKPXFFZLP-JQWIXIFHSA-N 1 0 379.295 2.490 20 0 GEADRO O=c1cc(C[NH2+][C@@H](CCO)C2CCCC2)nc2ccc(Br)cn12 ZINC000934007872 654834235 /nfs/dbraw/zinc/83/42/35/654834235.db2.gz BSUOGLZAVYAICJ-HNNXBMFYSA-N 1 0 380.286 2.488 20 0 GEADRO COC(=O)C[C@H]([NH2+]Cc1c(I)cnn1C)C(C)(C)C ZINC000934035879 654834593 /nfs/dbraw/zinc/83/45/93/654834593.db2.gz DJRBLCIDWMYAKJ-NSHDSACASA-N 1 0 379.242 2.092 20 0 GEADRO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000934040410 654834701 /nfs/dbraw/zinc/83/47/01/654834701.db2.gz PGAWLRIJDGJBCN-UXIGCNINSA-N 1 0 394.693 2.236 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000934041019 654834806 /nfs/dbraw/zinc/83/48/06/654834806.db2.gz BVEKHHGMWOCIIU-UHFFFAOYSA-N 1 0 399.333 2.140 20 0 GEADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2occc2Br)CC1 ZINC000914225495 654836639 /nfs/dbraw/zinc/83/66/39/654836639.db2.gz MXSNNOANQOZBBO-UHFFFAOYSA-N 1 0 395.319 2.164 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Br)cc1F ZINC000934130005 654836722 /nfs/dbraw/zinc/83/67/22/654836722.db2.gz JUWJSZIAXRIYRV-UHFFFAOYSA-N 1 0 388.281 2.003 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000914241389 654838045 /nfs/dbraw/zinc/83/80/45/654838045.db2.gz JYZGSQGLKYJAIU-BRHMAQAHSA-N 1 0 399.460 2.160 20 0 GEADRO C[C@@](Cn1cccn1)([NH2+]CCCCOc1ccc(Br)cc1)C(N)=O ZINC000934219154 654839166 /nfs/dbraw/zinc/83/91/66/654839166.db2.gz IIRPISQODAXEIC-KRWDZBQOSA-N 1 0 395.301 2.338 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000934248954 654839618 /nfs/dbraw/zinc/83/96/18/654839618.db2.gz IPXIWVBQUNWLHD-HUUCEWRRSA-N 1 0 383.290 2.215 20 0 GEADRO COc1cc(Br)c(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1OC ZINC000934254049 654840010 /nfs/dbraw/zinc/84/00/10/654840010.db2.gz HQMJEXOSJDZLBO-HOTGVXAUSA-N 1 0 399.329 2.497 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000934255711 654840267 /nfs/dbraw/zinc/84/02/67/654840267.db2.gz MUSQLPMIGGTTKY-UHFFFAOYSA-N 1 0 383.290 2.481 20 0 GEADRO COc1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1OC ZINC000934256618 654840301 /nfs/dbraw/zinc/84/03/01/654840301.db2.gz DHOBQWNGUUSYAE-LSDHHAIUSA-N 1 0 399.329 2.497 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934264488 654841316 /nfs/dbraw/zinc/84/13/16/654841316.db2.gz SZBOKQNGTSWNLO-IKGGRYGDSA-N 1 0 397.313 2.194 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934264583 654841670 /nfs/dbraw/zinc/84/16/70/654841670.db2.gz HXWHORKRHHGQQJ-HOTGVXAUSA-N 1 0 393.329 2.367 20 0 GEADRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(=O)[nH]cc2Br)C[C@@H](C)O1 ZINC000934308066 654843969 /nfs/dbraw/zinc/84/39/69/654843969.db2.gz GIYMFAPQXLPIPH-VXGBXAGGSA-N 1 0 386.290 2.169 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1c(Br)cnn1C1CC1 ZINC000934362297 654845525 /nfs/dbraw/zinc/84/55/25/654845525.db2.gz BBGXIZZOEGDOKQ-CYBMUJFWSA-N 1 0 398.305 2.355 20 0 GEADRO O=C1[C@H]([NH2+][C@@H]2CCOC23CCOCC3)CCN1c1cccc(Br)c1 ZINC000934402487 654849098 /nfs/dbraw/zinc/84/90/98/654849098.db2.gz MNLNMTUCMJCNFV-HZPDHXFCSA-N 1 0 395.297 2.482 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1cccc(Br)c1 ZINC000934410230 654849310 /nfs/dbraw/zinc/84/93/10/654849310.db2.gz NVQZYGXTHKSRFR-GDBMZVCRSA-N 1 0 386.286 2.117 20 0 GEADRO C[C@](CO)([NH2+]C[C@@H](O)COCc1ccco1)c1cccc(Br)c1 ZINC000934497857 654851457 /nfs/dbraw/zinc/85/14/57/654851457.db2.gz QXJTZADOVAUFEL-NVXWUHKLSA-N 1 0 384.270 2.417 20 0 GEADRO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000934630113 654854533 /nfs/dbraw/zinc/85/45/33/654854533.db2.gz YQOXYLOUZCYDPY-HLLBOEOZSA-N 1 0 382.551 2.208 20 0 GEADRO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000934624309 654854538 /nfs/dbraw/zinc/85/45/38/654854538.db2.gz CIIODOLMUBINSA-TZMCWYRMSA-N 1 0 380.286 2.448 20 0 GEADRO CSCC(C)(C)[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000934672926 654855097 /nfs/dbraw/zinc/85/50/97/654855097.db2.gz PWQZIHGQUJSIBW-UHFFFAOYSA-N 1 0 388.331 2.235 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc(Br)cc1OC(F)F ZINC000934742033 654857154 /nfs/dbraw/zinc/85/71/54/654857154.db2.gz KCOFBVNQRKUNLH-JTQLQIEISA-N 1 0 394.216 2.239 20 0 GEADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000934753386 654857909 /nfs/dbraw/zinc/85/79/09/654857909.db2.gz WWCUWIFTMNCWTI-DEOSSOPVSA-N 1 0 377.448 2.190 20 0 GEADRO Cn1cc(CCC[NH2+][C@H](CO)c2ccccc2I)cn1 ZINC000934828142 654862128 /nfs/dbraw/zinc/86/21/28/654862128.db2.gz HZBDVZVWXQFZTM-OAHLLOKOSA-N 1 0 385.249 2.281 20 0 GEADRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000915135112 654863712 /nfs/dbraw/zinc/86/37/12/654863712.db2.gz DITBGMFGXKIECG-UHFFFAOYSA-N 1 0 385.555 2.266 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@H](C)C[NH+]1CCCCC1 ZINC000915228496 654866082 /nfs/dbraw/zinc/86/60/82/654866082.db2.gz XPEXDHWCALLUBL-UKRRQHHQSA-N 1 0 388.965 2.169 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1nc(Br)c2ccccn21 ZINC000934950991 654868084 /nfs/dbraw/zinc/86/80/84/654868084.db2.gz BWKYHQQWXOMOIW-ZDUSSCGKSA-N 1 0 395.301 2.064 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000935106918 654876047 /nfs/dbraw/zinc/87/60/47/654876047.db2.gz MCAMSRQJVSFPKA-UHFFFAOYSA-N 1 0 399.333 2.281 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc3cc(Br)cnc3n2C)C[C@H]1[NH+](C)C ZINC000935115546 654876626 /nfs/dbraw/zinc/87/66/26/654876626.db2.gz XMNDMIBOFWYLFT-ZIAGYGMSSA-N 1 0 397.342 2.453 20 0 GEADRO CS[C@H]1CN(C(=O)c2nc(C(C)C)ncc2Br)C[C@H]1[NH+](C)C ZINC000935114287 654876788 /nfs/dbraw/zinc/87/67/88/654876788.db2.gz RDPVRFUCLACKMX-NEPJUHHUSA-N 1 0 387.347 2.480 20 0 GEADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ncc(Br)cn1 ZINC000935141601 654877956 /nfs/dbraw/zinc/87/79/56/654877956.db2.gz UEYOUBPAXJLGDX-UHFFFAOYSA-N 1 0 391.269 2.448 20 0 GEADRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)oc1Br ZINC000935157614 654879171 /nfs/dbraw/zinc/87/91/71/654879171.db2.gz SWUPGVJNHSWKDS-UONOGXRCSA-N 1 0 384.318 2.449 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c1F ZINC000915822580 654880112 /nfs/dbraw/zinc/88/01/12/654880112.db2.gz PRYCICHLXMFZDE-VIFPVBQESA-N 1 0 383.283 2.073 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)Cc2ccc(F)cc2Br)C1 ZINC000915834984 654880204 /nfs/dbraw/zinc/88/02/04/654880204.db2.gz NDRCGYLWXPIWKW-HZMBPMFUSA-N 1 0 377.279 2.054 20 0 GEADRO C[NH+]1CCC(OCC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000935182009 654880314 /nfs/dbraw/zinc/88/03/14/654880314.db2.gz BEYBQSQMEZPHJZ-UHFFFAOYSA-N 1 0 375.296 2.425 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935252308 654883644 /nfs/dbraw/zinc/88/36/44/654883644.db2.gz SKGBRCJHZLXSAJ-ZDUSSCGKSA-N 1 0 378.270 2.253 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccc(C)nc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000916041449 654885604 /nfs/dbraw/zinc/88/56/04/654885604.db2.gz MBWDKZJFCDCGPS-CQSZACIVSA-N 1 0 387.933 2.015 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)cnc1C1CC1 ZINC000935444897 654894057 /nfs/dbraw/zinc/89/40/57/654894057.db2.gz FUITXXKCTBMOOM-ZDUSSCGKSA-N 1 0 395.345 2.477 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935532393 654898623 /nfs/dbraw/zinc/89/86/23/654898623.db2.gz FNFYIONANJZQHF-GFCCVEGCSA-N 1 0 395.301 2.014 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cnn2cccc(Br)c12 ZINC000935532899 654898640 /nfs/dbraw/zinc/89/86/40/654898640.db2.gz VZLLBFNJKJWMTP-LBPRGKRZSA-N 1 0 395.301 2.014 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3ccc(Br)cc3c(=O)o1)C2 ZINC000935666204 654909587 /nfs/dbraw/zinc/90/95/87/654909587.db2.gz JNRSUIPMGYBKSR-UHFFFAOYSA-N 1 0 377.238 2.333 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1=O ZINC000935913988 654926507 /nfs/dbraw/zinc/92/65/07/654926507.db2.gz DNVQUHBUGYJEJP-UHFFFAOYSA-N 1 0 390.281 2.104 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)n1 ZINC000935932618 654928119 /nfs/dbraw/zinc/92/81/19/654928119.db2.gz IMPNTMGDYOSGTN-CHWSQXEVSA-N 1 0 397.317 2.298 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cn2ncnc12 ZINC000935939352 654929100 /nfs/dbraw/zinc/92/91/00/654929100.db2.gz MGNMEPFACMVAKE-YPMHNXCESA-N 1 0 378.274 2.191 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn2ncnc12 ZINC000935977792 654931440 /nfs/dbraw/zinc/93/14/40/654931440.db2.gz STTPFHXLDAAYQQ-RISCZKNCSA-N 1 0 378.274 2.191 20 0 GEADRO O=C(c1cc(F)cc(Br)c1F)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935987760 654932116 /nfs/dbraw/zinc/93/21/16/654932116.db2.gz XWCLIDNWLUXNAC-WDEREUQCSA-N 1 0 375.213 2.008 20 0 GEADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)c1csc(Cl)c1 ZINC000996388726 654947848 /nfs/dbraw/zinc/94/78/48/654947848.db2.gz RXPHFFIHQBYXQU-RDBSUJKOSA-N 1 0 379.913 2.359 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1Cl)C2 ZINC000996596003 654948730 /nfs/dbraw/zinc/94/87/30/654948730.db2.gz HHYKZJLIAGQSCI-MROQNXINSA-N 1 0 382.917 2.143 20 0 GEADRO CSc1ccc(C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)nc1Cl ZINC001164391033 718809360 /nfs/dbraw/zinc/80/93/60/718809360.db2.gz UCOQJRBDUISEHK-UHFFFAOYSA-N 1 0 376.860 2.060 20 0 GEADRO COc1ccc2nc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@H]4C3)nc(Cl)c2c1 ZINC001164389700 718824972 /nfs/dbraw/zinc/82/49/72/718824972.db2.gz JIEWDDSUDKXIPL-KGLIPLIRSA-N 1 0 384.814 2.404 20 0 GEADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164389868 718825062 /nfs/dbraw/zinc/82/50/62/718825062.db2.gz KEQHLZWDWHXMDG-AAEUAGOBSA-N 1 0 381.814 2.304 20 0 GEADRO c1cc(C2OCCCO2)ccc1-c1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nc1 ZINC001164401825 718837555 /nfs/dbraw/zinc/83/75/55/718837555.db2.gz BKXSUUNGCZYBKK-HXUWFJFHSA-N 1 0 380.492 2.278 20 0 GEADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164404392 718839801 /nfs/dbraw/zinc/83/98/01/718839801.db2.gz MICHOGAVCFCUTK-MRXNPFEDSA-N 1 0 388.585 2.244 20 0 GEADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164404835 718841595 /nfs/dbraw/zinc/84/15/95/718841595.db2.gz NFBJMCLOPPLZMJ-HNNXBMFYSA-N 1 0 379.842 2.436 20 0 GEADRO COc1cccc(Oc2nc(Cl)ncc2N2CCN3CC[NH2+]C[C@@H]3C2)c1 ZINC001164399933 718843827 /nfs/dbraw/zinc/84/38/27/718843827.db2.gz KXMXKEDHOXCVKL-CYBMUJFWSA-N 1 0 375.860 2.025 20 0 GEADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCOCC23C[NH2+]C3)n1 ZINC001164407081 718860852 /nfs/dbraw/zinc/86/08/52/718860852.db2.gz WKNJNGYOHPKNEC-UHFFFAOYSA-N 1 0 375.542 2.329 20 0 GEADRO CCOC(=O)c1ccc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)n1 ZINC001164410132 718864001 /nfs/dbraw/zinc/86/40/01/718864001.db2.gz XBJOWAWZRHFEQS-RISCZKNCSA-N 1 0 389.830 2.271 20 0 GEADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423094 718945037 /nfs/dbraw/zinc/94/50/37/718945037.db2.gz DGBWNVCUFFJWEP-UKRRQHHQSA-N 1 0 378.810 2.454 20 0 GEADRO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164433076 718977827 /nfs/dbraw/zinc/97/78/27/718977827.db2.gz JJFDZCWGYZHORI-UTKZUKDTSA-N 1 0 389.496 2.105 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(OC)c1 ZINC001164615305 719013299 /nfs/dbraw/zinc/01/32/99/719013299.db2.gz IHAWBFBRLRVIPW-DLOVCJGASA-N 1 0 375.803 2.018 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)OC)cc(C)n3)CC2)CC1 ZINC001164613812 719021590 /nfs/dbraw/zinc/02/15/90/719021590.db2.gz FTTPRODJHHTUOF-UHFFFAOYSA-N 1 0 389.496 2.421 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3ncn4C3CC3)CC2)CC1 ZINC001164617145 719032307 /nfs/dbraw/zinc/03/23/07/719032307.db2.gz HUMXACDSDMJLFW-UHFFFAOYSA-N 1 0 398.511 2.405 20 0 GEADRO CNS(=O)(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164629047 719096653 /nfs/dbraw/zinc/09/66/53/719096653.db2.gz QOLXWDRCDZRFIP-MJGOQNOKSA-N 1 0 386.521 2.091 20 0 GEADRO Cc1nc(-n2cncn2)cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164629532 719107948 /nfs/dbraw/zinc/10/79/48/719107948.db2.gz SJIBMMIQHJGPQS-RTBURBONSA-N 1 0 375.480 2.467 20 0 GEADRO O=C1CCCN1[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@@H]12 ZINC001164648731 719305708 /nfs/dbraw/zinc/30/57/08/719305708.db2.gz QYDBEMKCTNMJSC-FBBABVLZSA-N 1 0 384.524 2.284 20 0 GEADRO CC(C)N(c1nc(Cl)nc2c1CN(C)CC2)c1ncnc2c1CC[NH2+]CC2 ZINC001164663231 719344914 /nfs/dbraw/zinc/34/49/14/719344914.db2.gz XDXSXHMBPOXJGR-UHFFFAOYSA-N 1 0 387.919 2.143 20 0 GEADRO CC(C)N(C)Cc1nn(-c2cc(C(=O)NC(C)(C)C)ccn2)c2c1CC[NH2+]C2 ZINC001164681152 719632477 /nfs/dbraw/zinc/63/24/77/719632477.db2.gz BVTYKUSIVIUSST-UHFFFAOYSA-N 1 0 384.528 2.282 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164684127 719704423 /nfs/dbraw/zinc/70/44/23/719704423.db2.gz NCOUZAXFNHALCF-UHFFFAOYSA-N 1 0 381.480 2.450 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3sc(C)nc31)CC2 ZINC001164684734 719722340 /nfs/dbraw/zinc/72/23/40/719722340.db2.gz KACMCASJVRXNLC-UHFFFAOYSA-N 1 0 394.932 2.229 20 0 GEADRO CCOC(=O)c1nc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)ccc1Cl ZINC001164683741 719733918 /nfs/dbraw/zinc/73/39/18/719733918.db2.gz FIXURBIEEPOHKG-UHFFFAOYSA-N 1 0 394.903 2.093 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(C)nc(C3CC3)nc1Cl)CC2 ZINC001164690026 719746215 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2.019 20 0 GEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncncc1OC)CC2 ZINC001164715482 720107274 /nfs/dbraw/zinc/10/72/74/720107274.db2.gz GAQSTZKNIQAAKI-SFHVURJKSA-N 1 0 383.496 2.388 20 0 GEADRO CCOC(=O)c1c(C)ncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164816145 720119821 /nfs/dbraw/zinc/11/98/21/720119821.db2.gz XUASPXFTPNNNQM-DYESRHJHSA-N 1 0 388.512 2.146 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(Cl)nc1C(=O)OC)C2 ZINC001164814300 720120152 /nfs/dbraw/zinc/12/01/52/720120152.db2.gz RSWPJPIQICPNIJ-AUUYWEPGSA-N 1 0 394.903 2.101 20 0 GEADRO CCOC(=O)c1c(C)ncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164816146 720120178 /nfs/dbraw/zinc/12/01/78/720120178.db2.gz XUASPXFTPNNNQM-LAUBAEHRSA-N 1 0 388.512 2.146 20 0 GEADRO Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ccc1Cl ZINC001164715913 720177222 /nfs/dbraw/zinc/17/72/22/720177222.db2.gz DMXIOMHIXZXJPR-QGZVFWFLSA-N 1 0 390.919 2.388 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(C(=O)OC)n1)C2 ZINC001164819532 720183758 /nfs/dbraw/zinc/18/37/58/720183758.db2.gz XSANTYBYYAVXTB-IFXJQAMLSA-N 1 0 394.903 2.101 20 0 GEADRO CSc1cccnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717024 720185883 /nfs/dbraw/zinc/18/58/83/720185883.db2.gz JGFPSIXBPFKZBZ-INIZCTEOSA-N 1 0 388.541 2.148 20 0 GEADRO CCS(=O)(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001164812634 720205329 /nfs/dbraw/zinc/20/53/29/720205329.db2.gz LNHQOZUOOHINOP-XLIONFOSSA-N 1 0 393.553 2.060 20 0 GEADRO C[N@H+](Cc1ccc(N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)nc1)C1CC1 ZINC001164818976 720266502 /nfs/dbraw/zinc/26/65/02/720266502.db2.gz OAGRQUTZXXTTOO-GOSISDBHSA-N 1 0 394.523 2.131 20 0 GEADRO CSc1nc(C)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820589 720287419 /nfs/dbraw/zinc/28/74/19/720287419.db2.gz WOIBCDPWTOXXDH-DLBZAZTESA-N 1 0 389.569 2.418 20 0 GEADRO C=C(OCC)c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164829426 720318710 /nfs/dbraw/zinc/31/87/10/720318710.db2.gz LUYLAIXZEZIYOB-WOJBJXKFSA-N 1 0 399.539 2.395 20 0 GEADRO CSc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164825380 720325052 /nfs/dbraw/zinc/32/50/52/720325052.db2.gz DIGPFRIVGLZMLD-SJORKVTESA-N 1 0 375.542 2.110 20 0 GEADRO Cc1nc2c(c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n1)CCC2 ZINC001164828480 720332721 /nfs/dbraw/zinc/33/27/21/720332721.db2.gz JTURGOYYIYKCJO-WOJBJXKFSA-N 1 0 383.540 2.185 20 0 GEADRO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001164823601 720424355 /nfs/dbraw/zinc/42/43/55/720424355.db2.gz HTDLSEHIVRJOQM-VAMGGRTRSA-N 1 0 386.540 2.291 20 0 GEADRO COC(=O)c1cc2cnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2n1C ZINC001164735875 720428274 /nfs/dbraw/zinc/42/82/74/720428274.db2.gz YVJAGGZDZOZBPB-DLBZAZTESA-N 1 0 392.463 2.003 20 0 GEADRO COCCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164731155 720471709 /nfs/dbraw/zinc/47/17/09/720471709.db2.gz WEVFLZKSHHOBQT-MOPGFXCFSA-N 1 0 382.464 2.133 20 0 GEADRO COc1cc2ncnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c(OC)c1 ZINC001164731436 720516961 /nfs/dbraw/zinc/51/69/61/720516961.db2.gz XGOMFBPJNNIMIP-CQSZACIVSA-N 1 0 382.468 2.042 20 0 GEADRO COc1cc(OC)c2ncnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1 ZINC001164735799 720533992 /nfs/dbraw/zinc/53/39/92/720533992.db2.gz RKNYNSALYHRMOW-AWEZNQCLSA-N 1 0 382.468 2.042 20 0 GEADRO COC(=O)c1ccc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164732680 720549576 /nfs/dbraw/zinc/54/95/76/720549576.db2.gz DBBPPKCXRYUVJT-UHFFFAOYSA-N 1 0 389.887 2.377 20 0 GEADRO COc1nc2ccccc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164732616 720555867 /nfs/dbraw/zinc/55/58/67/720555867.db2.gz AHTOINUZZADTOJ-UHFFFAOYSA-N 1 0 378.480 2.493 20 0 GEADRO Cc1nc2nc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2[nH]1 ZINC001164734129 720557109 /nfs/dbraw/zinc/55/71/09/720557109.db2.gz VTBFMWKZFZBZQV-UHFFFAOYSA-N 1 0 386.891 2.170 20 0 GEADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc(-c3ccccn3)nn1)CC2 ZINC001164736585 720586787 /nfs/dbraw/zinc/58/67/87/720586787.db2.gz NXPHWPPYNIXBFN-UHFFFAOYSA-N 1 0 375.480 2.394 20 0 GEADRO CCNC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164840598 720597195 /nfs/dbraw/zinc/59/71/95/720597195.db2.gz PXGQOOOBJZRYHV-HSALFYBXSA-N 1 0 396.539 2.406 20 0 GEADRO Cc1sc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164738636 720632745 /nfs/dbraw/zinc/63/27/45/720632745.db2.gz CKCLYCAVORCDRV-CABCVRRESA-N 1 0 382.493 2.440 20 0 GEADRO Clc1cccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cnc12 ZINC001164739616 720670826 /nfs/dbraw/zinc/67/08/26/720670826.db2.gz OGMTXOQLOHJYGW-KGLIPLIRSA-N 1 0 382.855 2.415 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CNC3)CC2 ZINC001164844848 720679761 /nfs/dbraw/zinc/67/97/61/720679761.db2.gz VNIKKTKBFSJUFY-SFHVURJKSA-N 1 0 379.508 2.340 20 0 GEADRO CCOc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164737053 720708120 /nfs/dbraw/zinc/70/81/20/720708120.db2.gz CRZUTNUBYVOMAK-WBVHZDCISA-N 1 0 392.463 2.160 20 0 GEADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc(C)c2c1 ZINC001164740636 720717361 /nfs/dbraw/zinc/71/73/61/720717361.db2.gz RIWYPIRGAXVAQO-RDJZCZTQSA-N 1 0 392.463 2.079 20 0 GEADRO CCCN(CCC)c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncn1 ZINC001164737882 720733505 /nfs/dbraw/zinc/73/35/05/720733505.db2.gz DGWUUKPLFBHLJN-ZWKOTPCHSA-N 1 0 397.527 2.235 20 0 GEADRO CCCN(CCC)c1cncc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164744829 720735485 /nfs/dbraw/zinc/73/54/85/720735485.db2.gz STVJXMWVOSMMJW-QZTJIDSGSA-N 1 0 397.527 2.235 20 0 GEADRO c1ncc(O[C@H]2C[C@@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[N@@H+]3C2)cn1 ZINC001164741123 720759012 /nfs/dbraw/zinc/75/90/12/720759012.db2.gz MHWWSVWYNUZECR-KGLIPLIRSA-N 1 0 394.504 2.312 20 0 GEADRO Fc1ccc(-c2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncn2)cc1 ZINC001164741161 720770999 /nfs/dbraw/zinc/77/09/99/720770999.db2.gz MLWKEFGNOYWPMU-ROUUACIJSA-N 1 0 392.438 2.415 20 0 GEADRO c1csc(-c2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ncn2)c1 ZINC001164746405 720772946 /nfs/dbraw/zinc/77/29/46/720772946.db2.gz XVOSFXGFFJMDKW-LSDHHAIUSA-N 1 0 380.477 2.337 20 0 GEADRO COc1cc(C)c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744860 720807389 /nfs/dbraw/zinc/80/73/89/720807389.db2.gz IXYHBLCOEJVTBM-NVXWUHKLSA-N 1 0 392.463 2.079 20 0 GEADRO CSc1nc(C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748313 720809431 /nfs/dbraw/zinc/80/94/31/720809431.db2.gz QSYWHSXPTCYKIA-OKZBNKHCSA-N 1 0 399.568 2.478 20 0 GEADRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742286 720810973 /nfs/dbraw/zinc/81/09/73/720810973.db2.gz CSWYFDJHTPTWIJ-IXDOHACOSA-N 1 0 387.919 2.409 20 0 GEADRO C[N@H+](Cc1ccc(N2C[C@@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)nc1)C1CC1 ZINC001164854136 720813477 /nfs/dbraw/zinc/81/34/77/720813477.db2.gz SPQWFNCTNYDMEG-QUCCMNQESA-N 1 0 377.492 2.166 20 0 GEADRO 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HTSFTDHLNSLZHG-LQWHRVPQSA-N 1 0 381.480 2.303 20 0 GEADRO COC(=O)c1ccc(Cl)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165008806 721729732 /nfs/dbraw/zinc/72/97/32/721729732.db2.gz RICNOVFSIOYAEU-UHFFFAOYSA-N 1 0 394.903 2.045 20 0 GEADRO COC(=O)c1c(C)cc(C)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011134 721736850 /nfs/dbraw/zinc/73/68/50/721736850.db2.gz MSGCKEJDQZXRSF-UHFFFAOYSA-N 1 0 388.512 2.008 20 0 GEADRO COC(=O)c1ccc(Cl)c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165011547 721739342 /nfs/dbraw/zinc/73/93/42/721739342.db2.gz QHPBUVMOBMQXTA-UHFFFAOYSA-N 1 0 394.903 2.045 20 0 GEADRO CCOCc1cnc(Cl)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011633 721743354 /nfs/dbraw/zinc/74/33/54/721743354.db2.gz ZYRGBAMUMOVEKA-UHFFFAOYSA-N 1 0 395.935 2.190 20 0 GEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(-c3ccncc3)ncn2)CC1 ZINC001165011353 721746379 /nfs/dbraw/zinc/74/63/79/721746379.db2.gz VREBWFKFZJCNCZ-UHFFFAOYSA-N 1 0 380.496 2.062 20 0 GEADRO CC(C)OC(=O)c1cccnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 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2.500 20 0 GEADRO CN(C)c1cccc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)[nH+]1 ZINC001164945877 721969975 /nfs/dbraw/zinc/96/99/75/721969975.db2.gz UJCYKMMXJJYYLD-UHFFFAOYSA-N 1 0 379.508 2.119 20 0 GEADRO Cc1noc(C[C@@H]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3O2)n1 ZINC001164959582 722041611 /nfs/dbraw/zinc/04/16/11/722041611.db2.gz ILJFTMSLOJJXKL-SQNIBIBYSA-N 1 0 399.495 2.084 20 0 GEADRO COC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959547 722053397 /nfs/dbraw/zinc/05/33/97/722053397.db2.gz MQINWFBCVGQJQH-UHFFFAOYSA-N 1 0 396.491 2.382 20 0 GEADRO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967589 722071660 /nfs/dbraw/zinc/07/16/60/722071660.db2.gz QXVVNMYOPZJXBO-CALCHBBNSA-N 1 0 382.464 2.106 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2)C1 ZINC001164967530 722075289 /nfs/dbraw/zinc/07/52/89/722075289.db2.gz UCIRJLLNSYNAAG-AHRSYUTCSA-N 1 0 384.524 2.253 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc(NC5CC5)n4)CC[C@@H]3C2)c1 ZINC001164976318 722099001 /nfs/dbraw/zinc/09/90/01/722099001.db2.gz COBVKBUECOULTJ-IEBWSBKVSA-N 1 0 380.496 2.173 20 0 GEADRO COC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C)c1 ZINC001164983752 722108628 /nfs/dbraw/zinc/10/86/28/722108628.db2.gz ZUMFBMDIEUQDTP-ICSRJNTNSA-N 1 0 396.491 2.299 20 0 GEADRO Cc1cc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981850 722109074 /nfs/dbraw/zinc/10/90/74/722109074.db2.gz VJRHSOCBXPZHDI-HKUYNNGSSA-N 1 0 378.480 2.389 20 0 GEADRO COCc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)n1 ZINC001164981143 722111415 /nfs/dbraw/zinc/11/14/15/722111415.db2.gz SXWAKTVNBPWXKC-UYAOXDASSA-N 1 0 383.496 2.054 20 0 GEADRO COC(=O)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C ZINC001164980496 722125456 /nfs/dbraw/zinc/12/54/56/722125456.db2.gz RLBAILCBHUDLOO-AZUAARDMSA-N 1 0 396.491 2.299 20 0 GEADRO CCN(CC)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164976046 722130846 /nfs/dbraw/zinc/13/08/46/722130846.db2.gz GTVAMMAYJKYSLH-PMACEKPBSA-N 1 0 396.539 2.445 20 0 GEADRO COc1nc(C)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164973022 722152800 /nfs/dbraw/zinc/15/28/00/722152800.db2.gz JZVJDMDIDZQFQM-RTBURBONSA-N 1 0 383.496 2.224 20 0 GEADRO COc1ccc2ncc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2c1 ZINC001165002213 722253888 /nfs/dbraw/zinc/25/38/88/722253888.db2.gz LMAUJFCIXVRWSD-UHFFFAOYSA-N 1 0 396.495 2.323 20 0 GEADRO Cc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(C)c1Cl ZINC001165001637 722254474 /nfs/dbraw/zinc/25/44/74/722254474.db2.gz DTCOYADKIJOURR-UHFFFAOYSA-N 1 0 378.908 2.432 20 0 GEADRO CC(C)n1cnc2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc21 ZINC001165004505 722256286 /nfs/dbraw/zinc/25/62/86/722256286.db2.gz SZHZUJCGDKDFET-UHFFFAOYSA-N 1 0 398.515 2.092 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C1 ZINC000481913187 531390666 /nfs/dbraw/zinc/39/06/66/531390666.db2.gz LYSFVHHNMJWBKH-OAHLLOKOSA-N 1 0 385.852 2.186 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1nnc(CC(F)(F)F)s1 ZINC000483970670 531415495 /nfs/dbraw/zinc/41/54/95/531415495.db2.gz DPVGMPSJGQPQPS-SNVBAGLBSA-N 1 0 381.424 2.001 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)n1 ZINC000532603707 531423904 /nfs/dbraw/zinc/42/39/04/531423904.db2.gz QPFOUXHKEJISIL-UHFFFAOYSA-N 1 0 384.267 2.006 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(S(N)(=O)=O)oc1C)c1ccsc1 ZINC000151462107 531502080 /nfs/dbraw/zinc/50/20/80/531502080.db2.gz HUVQHYOOWZYVRY-CQSZACIVSA-N 1 0 385.511 2.110 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)NCC[NH2+]C1CC1 ZINC000151542580 531509387 /nfs/dbraw/zinc/50/93/87/531509387.db2.gz PVRXEKGLHVZJJT-UHFFFAOYSA-N 1 0 394.640 2.435 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151804841 531520420 /nfs/dbraw/zinc/52/04/20/531520420.db2.gz GSQVAOULWTUXCJ-WCQYABFASA-N 1 0 380.286 2.437 20 0 GEADRO C[C@@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccc(Br)cc1 ZINC000006533170 531526147 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COCCC[N@H+](C)CCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000152449291 531551823 /nfs/dbraw/zinc/55/18/23/531551823.db2.gz QKZBQDDMRREKGX-UHFFFAOYSA-N 1 0 395.301 2.333 20 0 GEADRO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152599272 531560030 /nfs/dbraw/zinc/56/00/30/531560030.db2.gz KDIMJQIPOCOCEH-QGZVFWFLSA-N 1 0 382.302 2.141 20 0 GEADRO C[C@H](CC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000152467545 531554778 /nfs/dbraw/zinc/55/47/78/531554778.db2.gz ACDYPJASPQFKIR-HIFRSBDPSA-N 1 0 396.329 2.321 20 0 GEADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152763621 531570158 /nfs/dbraw/zinc/57/01/58/531570158.db2.gz BTQJZMCAKFLOFN-NHYWBVRUSA-N 1 0 375.332 2.359 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000152824601 531573547 /nfs/dbraw/zinc/57/35/47/531573547.db2.gz NWYDGQIIYURVOE-ZDUSSCGKSA-N 1 0 385.277 2.311 20 0 GEADRO CCN(CC(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)C1CC1 ZINC000152953371 531579763 /nfs/dbraw/zinc/57/97/63/531579763.db2.gz PYWRXNQOKGVRTD-UHFFFAOYSA-N 1 0 389.880 2.343 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1=O ZINC000153032345 531583091 /nfs/dbraw/zinc/58/30/91/531583091.db2.gz MQFSSOIDPBRLOU-SMDDNHRTSA-N 1 0 383.290 2.096 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1=O ZINC000153032470 531584202 /nfs/dbraw/zinc/58/42/02/531584202.db2.gz MQFSSOIDPBRLOU-FZMZJTMJSA-N 1 0 383.290 2.096 20 0 GEADRO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000153068721 531585081 /nfs/dbraw/zinc/58/50/81/531585081.db2.gz IKVQPCGYHREUOS-SMDDNHRTSA-N 1 0 388.249 2.465 20 0 GEADRO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c2ccc(Br)cc2n1 ZINC000153245963 531594771 /nfs/dbraw/zinc/59/47/71/531594771.db2.gz ULWDINSDRDSUKQ-QGZVFWFLSA-N 1 0 380.286 2.348 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153442351 531600710 /nfs/dbraw/zinc/60/07/10/531600710.db2.gz GOUPISXMHYUUJI-NVXWUHKLSA-N 1 0 387.318 2.281 20 0 GEADRO CC1CC[NH+](CCNC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000153522930 531602615 /nfs/dbraw/zinc/60/26/15/531602615.db2.gz BCLXBTSPFGENRE-UHFFFAOYSA-N 1 0 392.301 2.492 20 0 GEADRO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000024374010 531602750 /nfs/dbraw/zinc/60/27/50/531602750.db2.gz CFHZELGZOMEDCK-SNVBAGLBSA-N 1 0 381.782 2.427 20 0 GEADRO CN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@H]1CCC[N@H+](C)C1 ZINC000153523442 531602880 /nfs/dbraw/zinc/60/28/80/531602880.db2.gz GLXCCVIJMDOBME-ZDUSSCGKSA-N 1 0 383.286 2.315 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cncc(Br)c1)c1cccs1 ZINC000153531974 531603330 /nfs/dbraw/zinc/60/33/30/531603330.db2.gz HCCQZUOIOLUXHX-LBPRGKRZSA-N 1 0 397.298 2.263 20 0 GEADRO CC1(C)CC(NC(=O)C(=O)Nc2cncc(Br)c2)CC(C)(C)[NH2+]1 ZINC000153514291 531603708 /nfs/dbraw/zinc/60/37/08/531603708.db2.gz WEYQJJBKAZWRKV-UHFFFAOYSA-N 1 0 383.290 2.208 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C[C@@H](C)[NH2+]1 ZINC000153829186 531609319 /nfs/dbraw/zinc/60/93/19/531609319.db2.gz QBJKDFHLCUWHQS-IOASZLSFSA-N 1 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531634203 /nfs/dbraw/zinc/63/42/03/531634203.db2.gz ZZXFMUZXJVLWRN-UHFFFAOYSA-N 1 0 390.285 2.164 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(Br)nc2)([NH+](C)C)C1 ZINC000154947560 531644017 /nfs/dbraw/zinc/64/40/17/531644017.db2.gz CRZGZNGIUNDMCH-PXAZEXFGSA-N 1 0 397.317 2.409 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000154992882 531646703 /nfs/dbraw/zinc/64/67/03/531646703.db2.gz ZJFULHBAEOODAB-ABAIWWIYSA-N 1 0 396.289 2.094 20 0 GEADRO OCCCOC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000154979365 531647306 /nfs/dbraw/zinc/64/73/06/531647306.db2.gz OMEMJABSGSHKCB-HNNXBMFYSA-N 1 0 388.302 2.052 20 0 GEADRO COCC[N@H+](C)CCNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000154850655 531637872 /nfs/dbraw/zinc/63/78/72/531637872.db2.gz UZTRDKDGNFBYJT-UHFFFAOYSA-N 1 0 384.318 2.358 20 0 GEADRO C[C@@H](NC(=O)C[NH+]1CCC(OCCCO)CC1)c1ccc(Br)cc1 ZINC000154893630 531639824 /nfs/dbraw/zinc/63/98/24/531639824.db2.gz YFBQJFSBUJKARI-CQSZACIVSA-N 1 0 399.329 2.490 20 0 GEADRO [NH3+]CC1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CCCC1 ZINC000155266073 531669709 /nfs/dbraw/zinc/66/97/09/531669709.db2.gz RWFRYKBVWQBQCP-UHFFFAOYSA-N 1 0 378.274 2.370 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCNC(=O)c1cccc(O)c1 ZINC000155059844 531653541 /nfs/dbraw/zinc/65/35/41/531653541.db2.gz ZPGJCEWMJUMCQT-LBPRGKRZSA-N 1 0 381.274 2.149 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155093263 531655936 /nfs/dbraw/zinc/65/59/36/531655936.db2.gz QYQUUQKOBKKBPH-HUUCEWRRSA-N 1 0 397.361 2.392 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)NCC(=O)OC ZINC000155185494 531662191 /nfs/dbraw/zinc/66/21/91/531662191.db2.gz SSIAHFOZNZNVFM-SNVBAGLBSA-N 1 0 375.238 2.088 20 0 GEADRO CC(C)[C@H](CNC(=O)Cn1cc(Br)ccc1=O)[NH+]1CCC(C)CC1 ZINC000041400748 531663538 /nfs/dbraw/zinc/66/35/38/531663538.db2.gz JPEJODUVDSSMLO-INIZCTEOSA-N 1 0 398.345 2.484 20 0 GEADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1Br ZINC000155202804 531664205 /nfs/dbraw/zinc/66/42/05/531664205.db2.gz RABQVHMHFQZQKX-UHFFFAOYSA-N 1 0 377.279 2.493 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000041710845 531667754 /nfs/dbraw/zinc/66/77/54/531667754.db2.gz SUUYMEJGVQFUKC-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO C[C@H](NC(=O)c1cc(Cn2cc(Br)cn2)on1)C(C)(C)C[NH+](C)C ZINC000155342105 531675829 /nfs/dbraw/zinc/67/58/29/531675829.db2.gz IBENYAOKDDYZFM-NSHDSACASA-N 1 0 398.305 2.388 20 0 GEADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000155559192 531690571 /nfs/dbraw/zinc/69/05/71/531690571.db2.gz CPAWPAYRTYBOJG-UHFFFAOYSA-N 1 0 389.587 2.071 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)c(=O)n(C)c2)[C@H](C)C1 ZINC000156218492 531723006 /nfs/dbraw/zinc/72/30/06/531723006.db2.gz WXCHJTFSPCINJA-RISCZKNCSA-N 1 0 385.306 2.342 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)COc2cccc(Br)c2)C[C@H](C)O1 ZINC000047433082 531713425 /nfs/dbraw/zinc/71/34/25/531713425.db2.gz DXBUIIVFFUKWAM-OKILXGFUSA-N 1 0 385.302 2.443 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)[NH+]1CCC(C)CC1 ZINC000156096012 531714236 /nfs/dbraw/zinc/71/42/36/531714236.db2.gz VQSXDHFQCPTOQN-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156094062 531714481 /nfs/dbraw/zinc/71/44/81/531714481.db2.gz BNWPQFJVPXODFB-CYBMUJFWSA-N 1 0 385.306 2.486 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[NH+](CC)CC ZINC000156094408 531715087 /nfs/dbraw/zinc/71/50/87/531715087.db2.gz CLMHCLZKYAAFQP-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000156101032 531715739 /nfs/dbraw/zinc/71/57/39/531715739.db2.gz RKENDEKZVWCYEI-CQSZACIVSA-N 1 0 398.301 2.243 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1Br ZINC000156170896 531718911 /nfs/dbraw/zinc/71/89/11/531718911.db2.gz VQFYBJIEIMEVGP-QWRGUYRKSA-N 1 0 377.304 2.219 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)C1CC1 ZINC000156195034 531721395 /nfs/dbraw/zinc/72/13/95/531721395.db2.gz DBGHFHMUDKJEOM-OAHLLOKOSA-N 1 0 378.274 2.100 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000049275465 531736472 /nfs/dbraw/zinc/73/64/72/531736472.db2.gz SAELWIPNPWEHMP-UHFFFAOYSA-N 1 0 375.803 2.482 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CC1([NH3+])CCC1 ZINC000157283702 531739002 /nfs/dbraw/zinc/73/90/02/531739002.db2.gz DICACWAIOYRGHY-UHFFFAOYSA-N 1 0 382.302 2.185 20 0 GEADRO COC1CC[NH+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000051155380 531740666 /nfs/dbraw/zinc/74/06/66/531740666.db2.gz OCUBYIPPGVYSLH-UHFFFAOYSA-N 1 0 387.311 2.148 20 0 GEADRO CC[NH+]1CCC(N(C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000157417200 531743259 /nfs/dbraw/zinc/74/32/59/531743259.db2.gz ZNUHBKJAOCSTPV-UHFFFAOYSA-N 1 0 387.933 2.098 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)CC2=O)ccc1Br ZINC000157182941 531732677 /nfs/dbraw/zinc/73/26/77/531732677.db2.gz PVSLYWLPPIYRKM-WFASDCNBSA-N 1 0 382.302 2.210 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000157734674 531753805 /nfs/dbraw/zinc/75/38/05/531753805.db2.gz HOBYYPFKWPBAKG-KBPBESRZSA-N 1 0 394.317 2.444 20 0 GEADRO CCOCCO[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000157795307 531755606 /nfs/dbraw/zinc/75/56/06/531755606.db2.gz CXLXOJBAWRLGIO-WBVHZDCISA-N 1 0 388.302 2.316 20 0 GEADRO O=C(CN1CC[NH+](CC2CC2)CC1)Nc1ccccc1I ZINC000053237054 531757791 /nfs/dbraw/zinc/75/77/91/531757791.db2.gz SFZPRWIAZVQYEG-UHFFFAOYSA-N 1 0 399.276 2.257 20 0 GEADRO OCC[N@H+](CCCN1CCOCC1)Cc1cc(Br)ccc1F ZINC000157935613 531760950 /nfs/dbraw/zinc/76/09/50/531760950.db2.gz CTEKOKJQIGZAGT-UHFFFAOYSA-N 1 0 375.282 2.105 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000158120971 531766909 /nfs/dbraw/zinc/76/69/09/531766909.db2.gz RZOXZFQCZPZMRN-CQSZACIVSA-N 1 0 398.345 2.142 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000158137472 531767334 /nfs/dbraw/zinc/76/73/34/531767334.db2.gz QVBYOBGZEMOHLN-CQSZACIVSA-N 1 0 395.352 2.459 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000158247560 531771990 /nfs/dbraw/zinc/77/19/90/531771990.db2.gz NPAMENCOEFNHBX-HUUCEWRRSA-N 1 0 380.286 2.003 20 0 GEADRO CCOCCCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000158290805 531774155 /nfs/dbraw/zinc/77/41/55/531774155.db2.gz ZOFUMWSWOADVQO-UHFFFAOYSA-N 1 0 380.432 2.438 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000055131280 531783288 /nfs/dbraw/zinc/78/32/88/531783288.db2.gz SDWMRRWFNPUDMR-CYBMUJFWSA-N 1 0 399.285 2.264 20 0 GEADRO C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000056390343 531811431 /nfs/dbraw/zinc/81/14/31/531811431.db2.gz CVFZPWCQQCFTGH-UHFFFAOYSA-N 1 0 382.295 2.156 20 0 GEADRO C[NH+](C)CCN(C(=O)c1nc2ncc(Br)cn2n1)c1ccccc1 ZINC000058296913 531830021 /nfs/dbraw/zinc/83/00/21/531830021.db2.gz BSVURXWZOGJTOW-UHFFFAOYSA-N 1 0 389.257 2.095 20 0 GEADRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@@H](O)c1cccc(Br)c1)CC2 ZINC000161286705 531829791 /nfs/dbraw/zinc/82/97/91/531829791.db2.gz BHVOUZGLNSBIMC-OAHLLOKOSA-N 1 0 397.269 2.266 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000057554461 531819887 /nfs/dbraw/zinc/81/98/87/531819887.db2.gz BEWWEKVNFLBRNK-BBRMVZONSA-N 1 0 392.297 2.155 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)nnn1-c1cccc(Br)c1 ZINC000057554741 531821401 /nfs/dbraw/zinc/82/14/01/531821401.db2.gz RWRMPRPWIQBPMA-CYBMUJFWSA-N 1 0 390.285 2.305 20 0 GEADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000161647426 531833841 /nfs/dbraw/zinc/83/38/41/531833841.db2.gz XYZSDLHRPOMNHR-CYBMUJFWSA-N 1 0 387.933 2.419 20 0 GEADRO NC(=O)[C@H]([NH2+]CCCOCC1CCOCC1)c1cccc(Br)c1 ZINC000162149914 531835720 /nfs/dbraw/zinc/83/57/20/531835720.db2.gz RTKMNBGEMAVXRW-MRXNPFEDSA-N 1 0 385.302 2.398 20 0 GEADRO O=C(CCOc1ccccc1Br)NCCCC[NH+]1CCOCC1 ZINC000058900320 531837556 /nfs/dbraw/zinc/83/75/56/531837556.db2.gz HMODVVMBQIPQIP-UHFFFAOYSA-N 1 0 385.302 2.447 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC1CC[NH+](C)CC1 ZINC000061031055 531849487 /nfs/dbraw/zinc/84/94/87/531849487.db2.gz RECTVZRWIHCYBI-INIZCTEOSA-N 1 0 396.329 2.414 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)/C=C/c2cc(Br)ccc2F)CC1 ZINC000061524726 531852254 /nfs/dbraw/zinc/85/22/54/531852254.db2.gz LFIJGLDLPUFDIS-ZZXKWVIFSA-N 1 0 384.293 2.355 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)c(F)cc1Br ZINC000162867828 531853887 /nfs/dbraw/zinc/85/38/87/531853887.db2.gz TWWODZRTJIJDPW-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO Cc1cccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1Br ZINC000163271077 531855134 /nfs/dbraw/zinc/85/51/34/531855134.db2.gz HEQMINFXPKTQRA-UHFFFAOYSA-N 1 0 394.313 2.138 20 0 GEADRO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1Br ZINC000162358423 531842486 /nfs/dbraw/zinc/84/24/86/531842486.db2.gz YREZPFUWRGJYNM-MRXNPFEDSA-N 1 0 394.313 2.312 20 0 GEADRO CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC[NH+](C)C)o2)c1 ZINC000060759838 531847618 /nfs/dbraw/zinc/84/76/18/531847618.db2.gz HNBAJABVNBZOBH-UHFFFAOYSA-N 1 0 384.527 2.421 20 0 GEADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000163465338 531858317 /nfs/dbraw/zinc/85/83/17/531858317.db2.gz HOLQAWRBVRQLFU-AWEZNQCLSA-N 1 0 395.301 2.260 20 0 GEADRO CN(C)c1nc2sc(C(=O)NCCCC[NH+]3CCN(C)CC3)cc2s1 ZINC000063738872 531860790 /nfs/dbraw/zinc/86/07/90/531860790.db2.gz YFOOZIVWLOFPDM-UHFFFAOYSA-N 1 0 381.571 2.181 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000063737992 531861808 /nfs/dbraw/zinc/86/18/08/531861808.db2.gz GUMDRYSHJKSSEM-NSHDSACASA-N 1 0 390.347 2.475 20 0 GEADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000165785398 531872066 /nfs/dbraw/zinc/87/20/66/531872066.db2.gz PSVYDUAKZMUVIV-DZGCQCFKSA-N 1 0 385.302 2.179 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000165381377 531872626 /nfs/dbraw/zinc/87/26/26/531872626.db2.gz KNXGYFUNNKUPTK-UONOGXRCSA-N 1 0 395.301 2.149 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000165801206 531872679 /nfs/dbraw/zinc/87/26/79/531872679.db2.gz YMPXHRJCCLYXOX-ZFWWWQNUSA-N 1 0 385.302 2.179 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000166058622 531875418 /nfs/dbraw/zinc/87/54/18/531875418.db2.gz YYSBNWVKAWPMCF-UHFFFAOYSA-N 1 0 375.579 2.178 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000067283489 531881220 /nfs/dbraw/zinc/88/12/20/531881220.db2.gz ZOVAQFHGZANILB-GXTWGEPZSA-N 1 0 392.297 2.155 20 0 GEADRO Cn1cc(Br)cc1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000164696770 531869887 /nfs/dbraw/zinc/86/98/87/531869887.db2.gz AWXDFIDRSLIABE-AWEZNQCLSA-N 1 0 396.285 2.341 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000068064426 531893997 /nfs/dbraw/zinc/89/39/97/531893997.db2.gz PINQWCBPAMWWLP-GHMZBOCLSA-N 1 0 388.331 2.229 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000171152352 531895848 /nfs/dbraw/zinc/89/58/48/531895848.db2.gz VHLPSNUWGPTAHG-ZDUSSCGKSA-N 1 0 384.318 2.165 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000068080020 531896087 /nfs/dbraw/zinc/89/60/87/531896087.db2.gz UEOHARATKSYEHS-SNVBAGLBSA-N 1 0 376.320 2.087 20 0 GEADRO C[NH+]1CCC(CCNC(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000171269028 531901854 /nfs/dbraw/zinc/90/18/54/531901854.db2.gz JSYZYQXNHWFCAZ-UHFFFAOYSA-N 1 0 388.331 2.089 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2nc3cc(Cl)ccn3n2)CC[C@H]1C(F)(F)F ZINC000625889364 531917494 /nfs/dbraw/zinc/91/74/94/531917494.db2.gz OPUHWZAOZJIZJE-WCBMZHEXSA-N 1 0 376.770 2.374 20 0 GEADRO CC(C)[NH+](CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccs1)C(C)C ZINC000074335354 531918099 /nfs/dbraw/zinc/91/80/99/531918099.db2.gz KVYOYCPXMXGUDG-AWEZNQCLSA-N 1 0 375.560 2.040 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000073721366 531918140 /nfs/dbraw/zinc/91/81/40/531918140.db2.gz IZFVKMIOJQQOGD-ZDUSSCGKSA-N 1 0 375.922 2.453 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(I)cc1 ZINC000091323956 531924520 /nfs/dbraw/zinc/92/45/20/531924520.db2.gz JNTZXQFUJNQRAS-ZWNOBZJWSA-N 1 0 394.278 2.087 20 0 GEADRO CC1(C)CN(CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000171766493 531915205 /nfs/dbraw/zinc/91/52/05/531915205.db2.gz GDNZBDLXHHWZJE-UHFFFAOYSA-N 1 0 385.302 2.421 20 0 GEADRO CN(CC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1)C(=O)c1ccc(Br)s1 ZINC000093989876 531929162 /nfs/dbraw/zinc/92/91/62/531929162.db2.gz DXSXRVCBNBHJBD-GHMZBOCLSA-N 1 0 388.331 2.182 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000093988414 531930388 /nfs/dbraw/zinc/93/03/88/531930388.db2.gz FGOTZGCEZJKZND-FMKPAKJESA-N 1 0 394.313 2.401 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@](C)(O)CO ZINC000097514551 531935590 /nfs/dbraw/zinc/93/55/90/531935590.db2.gz QDNQCYKSXFLQHX-GFCCVEGCSA-N 1 0 383.080 2.053 20 0 GEADRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@](C)(O)CO ZINC000097514767 531937028 /nfs/dbraw/zinc/93/70/28/531937028.db2.gz LWHQZZUASACHGE-ZDUSSCGKSA-N 1 0 397.107 2.443 20 0 GEADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cnn2cc(Br)cnc12 ZINC000093906380 531928064 /nfs/dbraw/zinc/92/80/64/531928064.db2.gz DLGXQKDVNTWXQB-UHFFFAOYSA-N 1 0 388.269 2.483 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000109182073 531943309 /nfs/dbraw/zinc/94/33/09/531943309.db2.gz BVFVNJBKGHJOTJ-ZDUSSCGKSA-N 1 0 388.295 2.141 20 0 GEADRO C[C@H](Sc1nncn1C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112186646 531946420 /nfs/dbraw/zinc/94/64/20/531946420.db2.gz WXHLSJYVBPPHKI-AWEZNQCLSA-N 1 0 383.587 2.164 20 0 GEADRO C[C@@H](CNC(=O)c1cc2sc(N(C)C)nc2s1)C[NH+]1CCN(C)CC1 ZINC000172200749 531940245 /nfs/dbraw/zinc/94/02/45/531940245.db2.gz BYSYHMONDXWWFW-LBPRGKRZSA-N 1 0 381.571 2.037 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000115867312 531958672 /nfs/dbraw/zinc/95/86/72/531958672.db2.gz MRIYIYIMNUZGGL-VWLOTQADSA-N 1 0 387.933 2.005 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2O)cc(I)c1OC ZINC000172632322 531962266 /nfs/dbraw/zinc/96/22/66/531962266.db2.gz ZOVQDQDOPKTVHF-VXGBXAGGSA-N 1 0 377.222 2.311 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172424959 531952657 /nfs/dbraw/zinc/95/26/57/531952657.db2.gz GQUDBWUVFGIDPW-KRWDZBQOSA-N 1 0 396.329 2.020 20 0 GEADRO CCS(=O)(=O)NCC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000113939848 531953300 /nfs/dbraw/zinc/95/33/00/531953300.db2.gz VXKPTGIMEBIVBP-UHFFFAOYSA-N 1 0 391.896 2.069 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000119303984 531965643 /nfs/dbraw/zinc/96/56/43/531965643.db2.gz OTAKDBVBXPSANL-SFHVURJKSA-N 1 0 396.329 2.304 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000119436356 531967761 /nfs/dbraw/zinc/96/77/61/531967761.db2.gz MVFYEJYACWDBIL-WFASDCNBSA-N 1 0 394.313 2.137 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc(C)c(F)cc3Cl)C2)CC1 ZINC000119803960 531973322 /nfs/dbraw/zinc/97/33/22/531973322.db2.gz XPBPIOXDFRDPJL-CQSZACIVSA-N 1 0 389.924 2.188 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3)CC[C@@H]21 ZINC000120735852 531992089 /nfs/dbraw/zinc/99/20/89/531992089.db2.gz UTZOREYSCMZEPE-WFASDCNBSA-N 1 0 380.286 2.330 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)c(F)cc1F ZINC000173024172 531980546 /nfs/dbraw/zinc/98/05/46/531980546.db2.gz SZSCSFFXGFFSCH-SECBINFHSA-N 1 0 395.269 2.490 20 0 GEADRO C[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)[N@@H+]1CCc2ccccc2C1 ZINC000173060021 531985178 /nfs/dbraw/zinc/98/51/78/531985178.db2.gz MFNGNMHUTLHSIK-LBPRGKRZSA-N 1 0 390.281 2.314 20 0 GEADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc(F)cc1Br)C2 ZINC000173224094 531996428 /nfs/dbraw/zinc/99/64/28/531996428.db2.gz FSTHQLYFZZQJJM-NWDGAFQWSA-N 1 0 384.249 2.222 20 0 GEADRO Cc1nc(-c2ccc(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)s2)cs1 ZINC000120840042 531997358 /nfs/dbraw/zinc/99/73/58/531997358.db2.gz VKEISZQLONWMEB-QGZVFWFLSA-N 1 0 382.555 2.334 20 0 GEADRO O=C(NC[C@H]1CSCCS1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000120980051 532005278 /nfs/dbraw/zinc/00/52/78/532005278.db2.gz QCNGVYIPMIEDCJ-SFHVURJKSA-N 1 0 380.579 2.469 20 0 GEADRO CC(C)n1cc(Br)cc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000173402506 532008622 /nfs/dbraw/zinc/00/86/22/532008622.db2.gz CBZKRBCVCRNERT-AWEZNQCLSA-N 1 0 385.350 2.445 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000121085901 532010770 /nfs/dbraw/zinc/01/07/70/532010770.db2.gz KHVVBWIIDCQWOM-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO Cc1cccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1Br ZINC000121087598 532010972 /nfs/dbraw/zinc/01/09/72/532010972.db2.gz QLDAZSOFRRBAPS-UHFFFAOYSA-N 1 0 396.329 2.288 20 0 GEADRO O=C(C1CC1)N1CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000121313105 532022297 /nfs/dbraw/zinc/02/22/97/532022297.db2.gz KCEJUWFAEYLCCR-INIZCTEOSA-N 1 0 397.313 2.133 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ncncc2Br)CC1 ZINC000121309693 532022332 /nfs/dbraw/zinc/02/23/32/532022332.db2.gz QIXSEKWGHWIWNL-UHFFFAOYSA-N 1 0 398.349 2.304 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c(C)s1 ZINC000121358051 532025620 /nfs/dbraw/zinc/02/56/20/532025620.db2.gz FNYFMTGJJMXCEO-SJORKVTESA-N 1 0 380.535 2.279 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000173711771 532027683 /nfs/dbraw/zinc/02/76/83/532027683.db2.gz FJCNTOAKVQUZIO-HUUCEWRRSA-N 1 0 398.345 2.359 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000173815662 532035008 /nfs/dbraw/zinc/03/50/08/532035008.db2.gz WCEFGOWSZIRSOH-LLVKDONJSA-N 1 0 375.254 2.423 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000173818238 532035564 /nfs/dbraw/zinc/03/55/64/532035564.db2.gz ORKHKLLWZMTSHY-QWHCGFSZSA-N 1 0 389.315 2.315 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)nc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173852532 532037084 /nfs/dbraw/zinc/03/70/84/532037084.db2.gz ZWDJNDVYJKAEMR-UHFFFAOYSA-N 1 0 387.933 2.142 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000173828439 532035900 /nfs/dbraw/zinc/03/59/00/532035900.db2.gz IZWPNEJHFYQNPF-ZDUSSCGKSA-N 1 0 385.302 2.179 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000173912883 532042445 /nfs/dbraw/zinc/04/24/45/532042445.db2.gz DODWIIAJXPVXCS-NSHDSACASA-N 1 0 380.798 2.478 20 0 GEADRO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000121713115 532043919 /nfs/dbraw/zinc/04/39/19/532043919.db2.gz RGGKDDHCGDIUOE-UHFFFAOYSA-N 1 0 394.324 2.288 20 0 GEADRO CC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000121901382 532051176 /nfs/dbraw/zinc/05/11/76/532051176.db2.gz TWGBPPDJXZCHNK-KRWDZBQOSA-N 1 0 381.929 2.342 20 0 GEADRO CC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000121901238 532051193 /nfs/dbraw/zinc/05/11/93/532051193.db2.gz TWGBPPDJXZCHNK-QGZVFWFLSA-N 1 0 381.929 2.342 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000174157368 532054179 /nfs/dbraw/zinc/05/41/79/532054179.db2.gz UEGXRRAMPFOREL-GJZGRUSLSA-N 1 0 395.345 2.475 20 0 GEADRO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000121966605 532054253 /nfs/dbraw/zinc/05/42/53/532054253.db2.gz XPJBGKZUFXYFEV-GJZGRUSLSA-N 1 0 398.345 2.216 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000174136276 532052300 /nfs/dbraw/zinc/05/23/00/532052300.db2.gz OKPNLLRDFDPVDP-ZDUSSCGKSA-N 1 0 395.301 2.388 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174196949 532055493 /nfs/dbraw/zinc/05/54/93/532055493.db2.gz VVXAFFNOUMFFPY-GJZGRUSLSA-N 1 0 397.313 2.397 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CC1 ZINC000122420516 532069848 /nfs/dbraw/zinc/06/98/48/532069848.db2.gz JGRNHFYWJCXKIB-ZDUSSCGKSA-N 1 0 378.523 2.456 20 0 GEADRO C[N@@H+]1CCN(C(=O)Cn2cc(Br)ccc2=O)C2(CCCCC2)C1 ZINC000174573178 532070745 /nfs/dbraw/zinc/07/07/45/532070745.db2.gz CGMFUYASJQAGJQ-UHFFFAOYSA-N 1 0 382.302 2.088 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000122476060 532071062 /nfs/dbraw/zinc/07/10/62/532071062.db2.gz OMVJQFHSGDOIEC-KRWDZBQOSA-N 1 0 386.334 2.339 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000174634633 532073229 /nfs/dbraw/zinc/07/32/29/532073229.db2.gz UYBRCWYQCRSLAF-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO CN(CCC[NH+]1CCN(C)CC1)Cc1cc2c(cc1Br)OCCO2 ZINC000174713689 532074499 /nfs/dbraw/zinc/07/44/99/532074499.db2.gz VCQIVYUFTVLVBK-UHFFFAOYSA-N 1 0 398.345 2.290 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1)C[NH+]1CCCC1 ZINC000174749745 532076988 /nfs/dbraw/zinc/07/69/88/532076988.db2.gz BKZPYOIGJCAFPD-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174837966 532079652 /nfs/dbraw/zinc/07/96/52/532079652.db2.gz AOMLUCRRHKWINY-UHFFFAOYSA-N 1 0 386.265 2.327 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000174871419 532080917 /nfs/dbraw/zinc/08/09/17/532080917.db2.gz PCAFSRSIGQJTPL-VIFPVBQESA-N 1 0 390.228 2.076 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174907982 532082191 /nfs/dbraw/zinc/08/21/91/532082191.db2.gz ZOINTORTPAFUPK-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO COc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1Br ZINC000175016405 532086316 /nfs/dbraw/zinc/08/63/16/532086316.db2.gz XNGRGXKWUUEZHE-UHFFFAOYSA-N 1 0 386.290 2.378 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC[N@@H+]1C ZINC000122872740 532085007 /nfs/dbraw/zinc/08/50/07/532085007.db2.gz PGLIZWDOYBWBDI-STQMWFEESA-N 1 0 387.933 2.145 20 0 GEADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1sccc1S(=O)(=O)N(C)C)C2 ZINC000175037216 532087947 /nfs/dbraw/zinc/08/79/47/532087947.db2.gz VURYAJPWFFIHOI-UONOGXRCSA-N 1 0 385.555 2.086 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)c2ccc(Br)s2)CC[N@@H+]1C ZINC000175099219 532089356 /nfs/dbraw/zinc/08/93/56/532089356.db2.gz WLBZJPLQKFVBEN-MNOVXSKESA-N 1 0 388.331 2.182 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c(Cl)cc1Cl ZINC000175176011 532092092 /nfs/dbraw/zinc/09/20/92/532092092.db2.gz ZPFFAZPQLNHWSI-UHFFFAOYSA-N 1 0 395.308 2.495 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC1(CO)COC1 ZINC000123046631 532091166 /nfs/dbraw/zinc/09/11/66/532091166.db2.gz QBIQQGSNKOKUBW-UHFFFAOYSA-N 1 0 380.286 2.350 20 0 GEADRO COc1cc(C[NH2+][C@@H](C)[C@H](C)CO)cc(I)c1OC ZINC000123169675 532094099 /nfs/dbraw/zinc/09/40/99/532094099.db2.gz MZWRUCQKPBFXIP-ZJUUUORDSA-N 1 0 379.238 2.415 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000175221996 532094069 /nfs/dbraw/zinc/09/40/69/532094069.db2.gz WDJOLMMSFHCZFI-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000123213739 532095662 /nfs/dbraw/zinc/09/56/62/532095662.db2.gz ZEPMHFCSYDQWCD-DYVFJYSZSA-N 1 0 386.334 2.382 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000123196173 532095750 /nfs/dbraw/zinc/09/57/50/532095750.db2.gz DHRXNRLVXOLGIW-CYBMUJFWSA-N 1 0 380.286 2.332 20 0 GEADRO C[C@@H]1C[C@H](N(C)Cc2nnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000123533247 532101017 /nfs/dbraw/zinc/10/10/17/532101017.db2.gz RSWHBVSZZQMHEK-CHWSQXEVSA-N 1 0 379.306 2.339 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000175442889 532104388 /nfs/dbraw/zinc/10/43/88/532104388.db2.gz QDMNQDOCIHJSLP-WDEREUQCSA-N 1 0 388.331 2.229 20 0 GEADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)C1 ZINC000123606873 532104499 /nfs/dbraw/zinc/10/44/99/532104499.db2.gz PSWZDOFBVHVXPT-LLVKDONJSA-N 1 0 388.312 2.294 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)Cc2ccccc2I)cn1 ZINC000123682102 532104766 /nfs/dbraw/zinc/10/47/66/532104766.db2.gz WXAIFGFZDTYDNY-UHFFFAOYSA-N 1 0 398.248 2.231 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000175549313 532107494 /nfs/dbraw/zinc/10/74/94/532107494.db2.gz QLHQPWKYOWZRKP-SMDDNHRTSA-N 1 0 395.301 2.312 20 0 GEADRO COCCOCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000175585880 532109189 /nfs/dbraw/zinc/10/91/89/532109189.db2.gz WZTPPXAEPYYEIZ-ZDUSSCGKSA-N 1 0 386.290 2.158 20 0 GEADRO COc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(Br)c1 ZINC000124439239 532122517 /nfs/dbraw/zinc/12/25/17/532122517.db2.gz QWISVSZDSFMIAG-QGZVFWFLSA-N 1 0 398.345 2.460 20 0 GEADRO C[NH+](C)CCCNC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 ZINC000124548278 532123828 /nfs/dbraw/zinc/12/38/28/532123828.db2.gz QHBYOKUXKMWQII-UHFFFAOYSA-N 1 0 383.518 2.449 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000176040794 532123971 /nfs/dbraw/zinc/12/39/71/532123971.db2.gz WBXQQVWEPYKCTI-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000124575164 532124240 /nfs/dbraw/zinc/12/42/40/532124240.db2.gz KATIKKDMUBVFBQ-DGCLKSJQSA-N 1 0 382.507 2.484 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(Br)ccc2O)ccn1 ZINC000123981191 532112117 /nfs/dbraw/zinc/11/21/17/532112117.db2.gz PEZLAWPOOHKOIN-UHFFFAOYSA-N 1 0 394.269 2.420 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)NCc2ccc(Br)cc2)CC1 ZINC000175743704 532113048 /nfs/dbraw/zinc/11/30/48/532113048.db2.gz YHGXCSZVGMUADC-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000175800434 532114924 /nfs/dbraw/zinc/11/49/24/532114924.db2.gz QEWIEMWGCHWJKZ-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO CC[C@@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)[NH+](C)C ZINC000124195043 532115845 /nfs/dbraw/zinc/11/58/45/532115845.db2.gz YDBAISVULAFZMM-HNNXBMFYSA-N 1 0 384.318 2.254 20 0 GEADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000125583867 532138669 /nfs/dbraw/zinc/13/86/69/532138669.db2.gz RSGXIIBKMKXYPO-GFCCVEGCSA-N 1 0 385.917 2.076 20 0 GEADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000125584113 532138720 /nfs/dbraw/zinc/13/87/20/532138720.db2.gz RSGXIIBKMKXYPO-LBPRGKRZSA-N 1 0 385.917 2.076 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)C1 ZINC000176089810 532125472 /nfs/dbraw/zinc/12/54/72/532125472.db2.gz ALKSKVXFZHKGFB-LBPRGKRZSA-N 1 0 398.301 2.196 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(S(=O)(=O)NC)cs2)c1 ZINC000176157920 532127945 /nfs/dbraw/zinc/12/79/45/532127945.db2.gz LPQHKBCVOVKKST-UHFFFAOYSA-N 1 0 381.523 2.038 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000124820690 532129516 /nfs/dbraw/zinc/12/95/16/532129516.db2.gz WHJNGKKQINHKHV-PWSUYJOCSA-N 1 0 377.304 2.206 20 0 GEADRO COC(=O)Cn1cc(CC[N@H+](Cc2cccc(Br)c2)C2CC2)nn1 ZINC000124796851 532129859 /nfs/dbraw/zinc/12/98/59/532129859.db2.gz QAYRXDDCAHLKHY-UHFFFAOYSA-N 1 0 393.285 2.421 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000124994779 532132203 /nfs/dbraw/zinc/13/22/03/532132203.db2.gz TVBYCVNKOAKGSX-ZJUUUORDSA-N 1 0 393.303 2.015 20 0 GEADRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cnc1Cl ZINC000127429509 532153821 /nfs/dbraw/zinc/15/38/21/532153821.db2.gz INLLWZNJBGRCQL-JKSUJKDBSA-N 1 0 387.933 2.090 20 0 GEADRO CC[NH+]1CCN(CC(=O)NCC(C)(C)c2ccccc2Br)CC1 ZINC000125686082 532140528 /nfs/dbraw/zinc/14/05/28/532140528.db2.gz JDCRFGFBOLJONW-UHFFFAOYSA-N 1 0 382.346 2.480 20 0 GEADRO CC[NH+]1CCC(N(C)C(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000125678274 532141148 /nfs/dbraw/zinc/14/11/48/532141148.db2.gz KERWVLOFWBLMJD-UHFFFAOYSA-N 1 0 388.331 2.183 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000126275346 532147575 /nfs/dbraw/zinc/14/75/75/532147575.db2.gz TVOARFFVXBHFSC-QWRGUYRKSA-N 1 0 389.315 2.361 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccncc3Br)cn2)CC1 ZINC000126448446 532148921 /nfs/dbraw/zinc/14/89/21/532148921.db2.gz QVOMWHCXZRELEH-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C2CCN(C)CC2)c1 ZINC000177320567 532168379 /nfs/dbraw/zinc/16/83/79/532168379.db2.gz LASCTFUAIXIGCF-UHFFFAOYSA-N 1 0 384.318 2.261 20 0 GEADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000177363130 532169345 /nfs/dbraw/zinc/16/93/45/532169345.db2.gz KQQABBXLALAFOE-CYBMUJFWSA-N 1 0 381.523 2.424 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000177029455 532159280 /nfs/dbraw/zinc/15/92/80/532159280.db2.gz ZGLYMPFITNFMAU-LBPRGKRZSA-N 1 0 398.301 2.243 20 0 GEADRO C[C@@H]([NH2+]CCc1nccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000127991877 532160304 /nfs/dbraw/zinc/16/03/04/532160304.db2.gz UWIPFCCUFRIOKV-CQSZACIVSA-N 1 0 381.523 2.057 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129115508 532172890 /nfs/dbraw/zinc/17/28/90/532172890.db2.gz SJCKGTBLJKJDSY-HUUCEWRRSA-N 1 0 396.329 2.430 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C(N)=O)cs2)cc1 ZINC000130275071 532191358 /nfs/dbraw/zinc/19/13/58/532191358.db2.gz FTWMAFSRFKISMX-UHFFFAOYSA-N 1 0 381.523 2.167 20 0 GEADRO O=C(c1cc(Br)cnc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178073919 532191968 /nfs/dbraw/zinc/19/19/68/532191968.db2.gz OSCIPVDKRZLJID-NSHDSACASA-N 1 0 388.693 2.292 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000130718802 532193377 /nfs/dbraw/zinc/19/33/77/532193377.db2.gz HUCJPNWBWFTKLY-HOTGVXAUSA-N 1 0 382.302 2.275 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131243510 532194283 /nfs/dbraw/zinc/19/42/83/532194283.db2.gz HKAJRLGTSPWZFU-MRXNPFEDSA-N 1 0 396.329 2.478 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cc1cc(F)ccc1Br ZINC000131231547 532194999 /nfs/dbraw/zinc/19/49/99/532194999.db2.gz UTULRLFOCNHSBN-UHFFFAOYSA-N 1 0 386.309 2.227 20 0 GEADRO C[NH+]1CCN(CCCSc2nnc(SCc3ccccc3)n2N)CC1 ZINC000130087917 532189404 /nfs/dbraw/zinc/18/94/04/532189404.db2.gz QHSWVZOOVYNRJD-UHFFFAOYSA-N 1 0 378.571 2.014 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1Cl)C[NH+]1CCN(C)CC1 ZINC000178555527 532204816 /nfs/dbraw/zinc/20/48/16/532204816.db2.gz ZYVSJCATKNWYTA-NSHDSACASA-N 1 0 378.826 2.367 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000132096643 532210098 /nfs/dbraw/zinc/21/00/98/532210098.db2.gz URSXOFQTQJHQLT-JFGNBEQYSA-N 1 0 379.309 2.336 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000178691953 532210372 /nfs/dbraw/zinc/21/03/72/532210372.db2.gz MUIXOULNPLYWNH-KGLIPLIRSA-N 1 0 396.329 2.463 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000132269244 532211572 /nfs/dbraw/zinc/21/15/72/532211572.db2.gz DEOMDIPVGGLQBN-ZDUSSCGKSA-N 1 0 390.311 2.196 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178756845 532211902 /nfs/dbraw/zinc/21/19/02/532211902.db2.gz ADBGAMXUSLRHJI-QMMMGPOBSA-N 1 0 394.640 2.435 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000178753564 532212315 /nfs/dbraw/zinc/21/23/15/532212315.db2.gz BKSFIFWGGHIYHU-LBPRGKRZSA-N 1 0 378.889 2.227 20 0 GEADRO CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000132518370 532216580 /nfs/dbraw/zinc/21/65/80/532216580.db2.gz JPGJKFXVOFUTCQ-CYBMUJFWSA-N 1 0 376.503 2.415 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000178925337 532217336 /nfs/dbraw/zinc/21/73/36/532217336.db2.gz VCBHQCUBBVCUDZ-JTQLQIEISA-N 1 0 377.304 2.206 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1C(F)(F)F ZINC000178921759 532217371 /nfs/dbraw/zinc/21/73/71/532217371.db2.gz YZOBZDCPEOKSRB-VIFPVBQESA-N 1 0 387.221 2.498 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000178458413 532203193 /nfs/dbraw/zinc/20/31/93/532203193.db2.gz DGIZGVNSTYRZBO-AWEZNQCLSA-N 1 0 397.313 2.181 20 0 GEADRO COCCC[C@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000178519585 532204395 /nfs/dbraw/zinc/20/43/95/532204395.db2.gz NITMRKJOGJTFHJ-JSGCOSHPSA-N 1 0 393.265 2.436 20 0 GEADRO [NH3+]C1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000131830446 532204549 /nfs/dbraw/zinc/20/45/49/532204549.db2.gz ZRFHJLGYZJAELR-UYSNPLJNSA-N 1 0 394.313 2.440 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000179444121 532231823 /nfs/dbraw/zinc/23/18/23/532231823.db2.gz PFJXXALWRININV-GFCCVEGCSA-N 1 0 378.274 2.054 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000132696825 532219416 /nfs/dbraw/zinc/21/94/16/532219416.db2.gz CMDPVDRJMMXIKS-CABCVRRESA-N 1 0 385.327 2.444 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000178966427 532219843 /nfs/dbraw/zinc/21/98/43/532219843.db2.gz OJCPGLGHLSSKKO-UHFFFAOYSA-N 1 0 386.901 2.279 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)NCc2ccc(O)c(Br)c2)n1 ZINC000132694317 532219912 /nfs/dbraw/zinc/21/99/12/532219912.db2.gz NKDXKDNPOMKPJX-UHFFFAOYSA-N 1 0 382.262 2.235 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C1 ZINC000132692270 532220140 /nfs/dbraw/zinc/22/01/40/532220140.db2.gz RYKGAOXCKKBVBV-DOMZBBRYSA-N 1 0 398.276 2.143 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000179017903 532220426 /nfs/dbraw/zinc/22/04/26/532220426.db2.gz XRMRDDYPJDSQRF-MCMMXHMISA-N 1 0 387.343 2.405 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000132906998 532223371 /nfs/dbraw/zinc/22/33/71/532223371.db2.gz BTJCEGYHRHVRMV-CQSZACIVSA-N 1 0 379.551 2.365 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000179678053 532240584 /nfs/dbraw/zinc/24/05/84/532240584.db2.gz DAHCAQNAPOOXAA-ZDUSSCGKSA-N 1 0 395.301 2.260 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1C ZINC000179730297 532241948 /nfs/dbraw/zinc/24/19/48/532241948.db2.gz OPOMKCYEUBQPDL-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO COc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)sc1Br ZINC000133834374 532243579 /nfs/dbraw/zinc/24/35/79/532243579.db2.gz ASMIQOKOYKHKGG-NSHDSACASA-N 1 0 391.331 2.486 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000134011481 532247791 /nfs/dbraw/zinc/24/77/91/532247791.db2.gz UTUZSDOFQHEAKV-LLVKDONJSA-N 1 0 386.265 2.327 20 0 GEADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCCC[NH+]1CCC(O)CC1 ZINC000180017725 532254077 /nfs/dbraw/zinc/25/40/77/532254077.db2.gz MCZAJPPHQFDNEW-INIZCTEOSA-N 1 0 375.296 2.380 20 0 GEADRO Brc1cc(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc2c1OCCO2 ZINC000179930216 532250719 /nfs/dbraw/zinc/25/07/19/532250719.db2.gz FZYYPUOUKOSJCE-CQSZACIVSA-N 1 0 397.313 2.374 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000134156930 532250973 /nfs/dbraw/zinc/25/09/73/532250973.db2.gz KBPCDRNFDJDXEY-CQSZACIVSA-N 1 0 383.290 2.171 20 0 GEADRO NC(=O)c1csc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000134175533 532251920 /nfs/dbraw/zinc/25/19/20/532251920.db2.gz BGDLVGNXKFWFJG-LLVKDONJSA-N 1 0 385.283 2.139 20 0 GEADRO COCC[N@H+](C)CCNCc1ncc(Br)cc1Br ZINC000135301058 532270378 /nfs/dbraw/zinc/27/03/78/532270378.db2.gz OORUOGAUIXGVGW-UHFFFAOYSA-N 1 0 381.112 2.274 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)Cc2ccc(Br)cc2C)CC1 ZINC000180408716 532270516 /nfs/dbraw/zinc/27/05/16/532270516.db2.gz AKMGQHNMZKZGTG-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[N@H+](C)C1CC1 ZINC000180048163 532255252 /nfs/dbraw/zinc/25/52/52/532255252.db2.gz HRAWNOKUMISOID-MRVPVSSYSA-N 1 0 390.228 2.265 20 0 GEADRO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134447998 532255693 /nfs/dbraw/zinc/25/56/93/532255693.db2.gz KMGNMHWNXAFSPA-RYUDHWBXSA-N 1 0 377.432 2.325 20 0 GEADRO Cc1nc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)sc1Br ZINC000180082862 532256033 /nfs/dbraw/zinc/25/60/33/532256033.db2.gz ITZPBHJBOPGDBG-LLVKDONJSA-N 1 0 394.360 2.320 20 0 GEADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000180074554 532256237 /nfs/dbraw/zinc/25/62/37/532256237.db2.gz CPUGSYFKUHFKOA-INIZCTEOSA-N 1 0 388.295 2.405 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1nc(C)c(Br)s1 ZINC000180092872 532256680 /nfs/dbraw/zinc/25/66/80/532256680.db2.gz TWMVFKWUJMGFMN-GHMZBOCLSA-N 1 0 394.360 2.461 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180152279 532258794 /nfs/dbraw/zinc/25/87/94/532258794.db2.gz UENZPBRBXYXWJK-GXTWGEPZSA-N 1 0 380.901 2.312 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000134766682 532262431 /nfs/dbraw/zinc/26/24/31/532262431.db2.gz LBVDNRZNEUBHHW-CYBMUJFWSA-N 1 0 391.299 2.177 20 0 GEADRO COc1ccc(C[C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000180799686 532281632 /nfs/dbraw/zinc/28/16/32/532281632.db2.gz BCZLZSNZGUPUAA-CYBMUJFWSA-N 1 0 376.469 2.480 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000136660757 532286301 /nfs/dbraw/zinc/28/63/01/532286301.db2.gz QNELUKDQUGERDC-UHFFFAOYSA-N 1 0 385.306 2.390 20 0 GEADRO C[C@@]1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCC[NH2+]1 ZINC000180942420 532286340 /nfs/dbraw/zinc/28/63/40/532286340.db2.gz AIOBIUIMWRZUDB-SFHVURJKSA-N 1 0 394.313 2.266 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000136730333 532286727 /nfs/dbraw/zinc/28/67/27/532286727.db2.gz VOPMXGAUTGXLRZ-CYBMUJFWSA-N 1 0 392.301 2.444 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000136978492 532288637 /nfs/dbraw/zinc/28/86/37/532288637.db2.gz IULQORWNSMBJLG-CQSZACIVSA-N 1 0 381.318 2.086 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000136978545 532288742 /nfs/dbraw/zinc/28/87/42/532288742.db2.gz IULQORWNSMBJLG-AWEZNQCLSA-N 1 0 381.318 2.086 20 0 GEADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000181123420 532291731 /nfs/dbraw/zinc/29/17/31/532291731.db2.gz VNJYSWJMXVYNIW-WBMJQRKESA-N 1 0 382.302 2.227 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000181299265 532295002 /nfs/dbraw/zinc/29/50/02/532295002.db2.gz DRRBYTKOEMRLIF-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000181323748 532295970 /nfs/dbraw/zinc/29/59/70/532295970.db2.gz RRHLIXWNPWVNTI-UHFFFAOYSA-N 1 0 385.306 2.326 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000146229531 532298422 /nfs/dbraw/zinc/29/84/22/532298422.db2.gz PPCFQSGUMPMREG-UKRRQHHQSA-N 1 0 385.555 2.194 20 0 GEADRO CC[NH+](CC)CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000148537091 532299804 /nfs/dbraw/zinc/29/98/04/532299804.db2.gz CKKMFFWHYYJDKH-SNVBAGLBSA-N 1 0 376.320 2.087 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000150773684 532301592 /nfs/dbraw/zinc/30/15/92/532301592.db2.gz ZNKNQIVFEPYJSO-NWDGAFQWSA-N 1 0 380.495 2.248 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000150876493 532303445 /nfs/dbraw/zinc/30/34/45/532303445.db2.gz MDFLYKUEGAWGCO-ZDUSSCGKSA-N 1 0 379.320 2.084 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC2(CO)COC2)CC1 ZINC000150890794 532303515 /nfs/dbraw/zinc/30/35/15/532303515.db2.gz UOMCTFLDGVJPQZ-UHFFFAOYSA-N 1 0 383.286 2.109 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1N(C)C ZINC000181637987 532304025 /nfs/dbraw/zinc/30/40/25/532304025.db2.gz JWHZHBIQUCBXSX-GXTWGEPZSA-N 1 0 386.514 2.439 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)C1 ZINC000150999381 532305693 /nfs/dbraw/zinc/30/56/93/532305693.db2.gz BMJJSPODCSYPBX-BBRMVZONSA-N 1 0 383.945 2.402 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183383586 532324634 /nfs/dbraw/zinc/32/46/34/532324634.db2.gz PKTWDMZZTHVLLF-JTQLQIEISA-N 1 0 384.274 2.240 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccncc1Br ZINC000183451811 532325322 /nfs/dbraw/zinc/32/53/22/532325322.db2.gz LBORLPNRSDNGBO-HNNXBMFYSA-N 1 0 390.281 2.341 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)nn1 ZINC000182113131 532309493 /nfs/dbraw/zinc/30/94/93/532309493.db2.gz JAWCFXBXWPFDOB-NSHDSACASA-N 1 0 397.273 2.116 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1cccc(Br)c1 ZINC000182514847 532314665 /nfs/dbraw/zinc/31/46/65/532314665.db2.gz DYXPPGGCHNITGM-UHFFFAOYSA-N 1 0 383.334 2.228 20 0 GEADRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000182592120 532315022 /nfs/dbraw/zinc/31/50/22/532315022.db2.gz ZLASQDOJVBDUCX-CHWSQXEVSA-N 1 0 375.332 2.298 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cnc1Br ZINC000182703752 532316480 /nfs/dbraw/zinc/31/64/80/532316480.db2.gz OGDGYGDLEXPVPA-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO CN(CCC[NH+]1CCN(C)CC1)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000182962929 532320177 /nfs/dbraw/zinc/32/01/77/532320177.db2.gz HYLAXFDFBNEQHA-UHFFFAOYSA-N 1 0 398.305 2.161 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000182985978 532320489 /nfs/dbraw/zinc/32/04/89/532320489.db2.gz AVLUZNDXHNYURY-UHFFFAOYSA-N 1 0 396.285 2.383 20 0 GEADRO CC1(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC[NH2+]CC1 ZINC000183360998 532323960 /nfs/dbraw/zinc/32/39/60/532323960.db2.gz NZYFYLQDMLPGBI-CYBMUJFWSA-N 1 0 394.313 2.308 20 0 GEADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1cnn(CC(F)(F)F)c1 ZINC000185052892 532336757 /nfs/dbraw/zinc/33/67/57/532336757.db2.gz RTEZZCIATHJZHF-UHFFFAOYSA-N 1 0 380.436 2.131 20 0 GEADRO CN(C)c1ccncc1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000185212925 532337184 /nfs/dbraw/zinc/33/71/84/532337184.db2.gz AWLGILPUERHPFK-AWEZNQCLSA-N 1 0 380.286 2.440 20 0 GEADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Br)cc3N)CC2)CCO1 ZINC000185253408 532337301 /nfs/dbraw/zinc/33/73/01/532337301.db2.gz QFMIVMOBSFBELV-LBPRGKRZSA-N 1 0 382.302 2.357 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCOc1cccc(Br)c1 ZINC000185307012 532337532 /nfs/dbraw/zinc/33/75/32/532337532.db2.gz VTUABYVPFSYJJX-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000185585939 532337978 /nfs/dbraw/zinc/33/79/78/532337978.db2.gz YKQZSSGQJBAQNQ-NWDGAFQWSA-N 1 0 388.281 2.185 20 0 GEADRO CC(=O)NCCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185768609 532338556 /nfs/dbraw/zinc/33/85/56/532338556.db2.gz ITMWUJYGCIWWOC-UHFFFAOYSA-N 1 0 379.096 2.410 20 0 GEADRO O=S(=O)(NCCC[NH+]1CCCC1)c1cc(Br)cc2c1OCC2 ZINC000185803447 532338765 /nfs/dbraw/zinc/33/87/65/532338765.db2.gz WSDNTXVZFTYFLU-UHFFFAOYSA-N 1 0 389.315 2.148 20 0 GEADRO C[C@@H](CNC(=O)N1Cc2cccc(Br)c2C1)C[NH+]1CCN(C)CC1 ZINC000185815801 532338866 /nfs/dbraw/zinc/33/88/66/532338866.db2.gz ZAWMAUYWNWMWBY-AWEZNQCLSA-N 1 0 395.345 2.358 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccc(Br)o1 ZINC000186139786 532339977 /nfs/dbraw/zinc/33/99/77/532339977.db2.gz PSKUECOXPOURNP-CYBMUJFWSA-N 1 0 387.322 2.210 20 0 GEADRO COc1ccsc1[C@H](C)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000186215049 532340160 /nfs/dbraw/zinc/34/01/60/532340160.db2.gz QQRHVLSQOIEOAV-ZDUSSCGKSA-N 1 0 388.555 2.381 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cncc(Br)c2)cc1 ZINC000186608622 532341295 /nfs/dbraw/zinc/34/12/95/532341295.db2.gz YAIOCKGHELBEAZ-UHFFFAOYSA-N 1 0 384.299 2.221 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000186907567 532342539 /nfs/dbraw/zinc/34/25/39/532342539.db2.gz VRCHRKVCXQUHSU-LBPRGKRZSA-N 1 0 385.302 2.375 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000186946275 532342893 /nfs/dbraw/zinc/34/28/93/532342893.db2.gz LRNONCXXYPYTGV-GFCCVEGCSA-N 1 0 387.293 2.434 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000187096802 532343044 /nfs/dbraw/zinc/34/30/44/532343044.db2.gz MBOWOEJCPWJHHZ-NSHDSACASA-N 1 0 398.276 2.436 20 0 GEADRO O=C(Nc1cccc(Br)n1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000183602798 532326477 /nfs/dbraw/zinc/32/64/77/532326477.db2.gz ZSZPBFZLYZZTLT-CYBMUJFWSA-N 1 0 383.290 2.420 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CCc2c1cccc2Br ZINC000187142003 532343402 /nfs/dbraw/zinc/34/34/02/532343402.db2.gz JELCTEPLZYYITF-INIZCTEOSA-N 1 0 382.302 2.458 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184304373 532331729 /nfs/dbraw/zinc/33/17/29/532331729.db2.gz ARUCHYQPBJAMBH-OAHLLOKOSA-N 1 0 382.346 2.442 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)cc1Cl ZINC000184307889 532331767 /nfs/dbraw/zinc/33/17/67/532331767.db2.gz YKBTYWRUIZWMIY-PLMOITTCSA-N 1 0 393.292 2.138 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000184330405 532332055 /nfs/dbraw/zinc/33/20/55/532332055.db2.gz AFTZFWGINJTPIM-HUUCEWRRSA-N 1 0 398.345 2.359 20 0 GEADRO COc1ccc(Br)c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000184376302 532332234 /nfs/dbraw/zinc/33/22/34/532332234.db2.gz RRRRDEBUNUYHOE-ZDUSSCGKSA-N 1 0 384.318 2.214 20 0 GEADRO C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000184642344 532334000 /nfs/dbraw/zinc/33/40/00/532334000.db2.gz SFXGRTDFJYECJA-MCIONIFRSA-N 1 0 386.480 2.478 20 0 GEADRO CC(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000184919742 532335825 /nfs/dbraw/zinc/33/58/25/532335825.db2.gz XDENZBVDGYIXIY-QGZVFWFLSA-N 1 0 394.313 2.463 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000187853289 532345916 /nfs/dbraw/zinc/34/59/16/532345916.db2.gz KVPCVSBQMOGJME-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc(C)c(Cl)s3)C2)CC1 ZINC000187863058 532345949 /nfs/dbraw/zinc/34/59/49/532345949.db2.gz JBDJFHWQKXWDNW-CYBMUJFWSA-N 1 0 377.963 2.110 20 0 GEADRO CC1(C)CN(CCNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000188098661 532346663 /nfs/dbraw/zinc/34/66/63/532346663.db2.gz NMQFBWBPOGBHRK-UHFFFAOYSA-N 1 0 380.432 2.236 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)c(C)nc1OC ZINC000188125124 532346776 /nfs/dbraw/zinc/34/67/76/532346776.db2.gz JBMMIXDDDDXJEB-GFCCVEGCSA-N 1 0 386.290 2.002 20 0 GEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CSCCS1 ZINC000188135141 532346897 /nfs/dbraw/zinc/34/68/97/532346897.db2.gz MYJBXSZTFQKEFR-MJGOQNOKSA-N 1 0 380.579 2.321 20 0 GEADRO COc1nc(N2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)ncc1Br ZINC000191351780 532360576 /nfs/dbraw/zinc/36/05/76/532360576.db2.gz DHEDZDNGNMVATH-OAHLLOKOSA-N 1 0 399.333 2.311 20 0 GEADRO COC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)C1CCOCC1 ZINC000188237624 532347506 /nfs/dbraw/zinc/34/75/06/532347506.db2.gz BFPXUTMVQMXMEF-GDBMZVCRSA-N 1 0 388.302 2.220 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2ccc(F)cc2Br)CC1 ZINC000188319874 532347763 /nfs/dbraw/zinc/34/77/63/532347763.db2.gz FMBCXMYWQNSETD-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO O=C(Nc1cccc(Br)n1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000188507238 532348522 /nfs/dbraw/zinc/34/85/22/532348522.db2.gz ZQADJUODTLFVBP-UHFFFAOYSA-N 1 0 383.290 2.420 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000188508975 532348543 /nfs/dbraw/zinc/34/85/43/532348543.db2.gz JZHYZSPBYKGJRK-GFCCVEGCSA-N 1 0 379.448 2.259 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cc1Br ZINC000188764744 532349502 /nfs/dbraw/zinc/34/95/02/532349502.db2.gz STEMNKIBHSMYJT-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ncc(Br)s1 ZINC000189071233 532350726 /nfs/dbraw/zinc/35/07/26/532350726.db2.gz OSHCKZNNOGCWMD-UHFFFAOYSA-N 1 0 383.271 2.318 20 0 GEADRO Cc1cccc(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1Br ZINC000189421042 532352194 /nfs/dbraw/zinc/35/21/94/532352194.db2.gz MHONUESBALDAQX-AWEZNQCLSA-N 1 0 383.334 2.193 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000189561480 532352821 /nfs/dbraw/zinc/35/28/21/532352821.db2.gz ZLUSOXRGAOXUTL-CHWSQXEVSA-N 1 0 385.302 2.107 20 0 GEADRO CC[C@](C)(NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)c1nccs1 ZINC000189653704 532353142 /nfs/dbraw/zinc/35/31/42/532353142.db2.gz QZQBXFMXZWHVPR-INIZCTEOSA-N 1 0 385.559 2.122 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189780223 532353503 /nfs/dbraw/zinc/35/35/03/532353503.db2.gz FWJSBRAQBQJLHQ-UHFFFAOYSA-N 1 0 396.285 2.011 20 0 GEADRO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)CC1(O)CCOCC1 ZINC000189767526 532353603 /nfs/dbraw/zinc/35/36/03/532353603.db2.gz REXVZEGDEXYREE-UHFFFAOYSA-N 1 0 393.228 2.139 20 0 GEADRO CC(C)(O)C[N@H+](CC(=O)Nc1cccc(I)c1)C1CC1 ZINC000189905288 532354039 /nfs/dbraw/zinc/35/40/39/532354039.db2.gz FVBSJSZIECTYSU-UHFFFAOYSA-N 1 0 388.249 2.465 20 0 GEADRO CCOC(=O)c1csc(CC[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)n1 ZINC000189913597 532354044 /nfs/dbraw/zinc/35/40/44/532354044.db2.gz BXDYRYYUVBUSDB-ZDUSSCGKSA-N 1 0 381.885 2.202 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cnc1Br ZINC000190036138 532354530 /nfs/dbraw/zinc/35/45/30/532354530.db2.gz OQDZEKXNZIVTLI-AWEZNQCLSA-N 1 0 395.301 2.178 20 0 GEADRO C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCCO3)CC[N@@H+]1CCO ZINC000190248049 532355288 /nfs/dbraw/zinc/35/52/88/532355288.db2.gz OVVNYUUCVRVELF-CYBMUJFWSA-N 1 0 385.302 2.109 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190548636 532356795 /nfs/dbraw/zinc/35/67/95/532356795.db2.gz SLYLBDUUSBYHMR-OAHLLOKOSA-N 1 0 386.480 2.216 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000190684321 532357437 /nfs/dbraw/zinc/35/74/37/532357437.db2.gz NIHIEXVWYGVDNG-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000190686331 532357533 /nfs/dbraw/zinc/35/75/33/532357533.db2.gz HPERBXCJNZZEHS-UHFFFAOYSA-N 1 0 383.290 2.117 20 0 GEADRO O=C(Cc1ccc(I)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000190884711 532358597 /nfs/dbraw/zinc/35/85/97/532358597.db2.gz QLFLOLSKWROSEE-CYBMUJFWSA-N 1 0 384.261 2.434 20 0 GEADRO O=C(Cc1ccc(I)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000190895460 532358743 /nfs/dbraw/zinc/35/87/43/532358743.db2.gz NUAXHFBBHLOSAO-UHFFFAOYSA-N 1 0 384.261 2.388 20 0 GEADRO Cc1cc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)n[nH]1 ZINC000191084493 532359509 /nfs/dbraw/zinc/35/95/09/532359509.db2.gz AATFODKGNZQRSE-UHFFFAOYSA-N 1 0 392.301 2.480 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191200918 532359861 /nfs/dbraw/zinc/35/98/61/532359861.db2.gz JHZTZHPAWPLHLT-SNVBAGLBSA-N 1 0 390.228 2.266 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br)C1CC1 ZINC000191201660 532359966 /nfs/dbraw/zinc/35/99/66/532359966.db2.gz QPOMIWPCJXTMNR-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3nc(Br)ccc3C)C2)CC1 ZINC000191307528 532360359 /nfs/dbraw/zinc/36/03/59/532360359.db2.gz ZFKDTJUTAHLZRA-AWEZNQCLSA-N 1 0 381.318 2.005 20 0 GEADRO COC[C@H](C)C[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000187290851 532343872 /nfs/dbraw/zinc/34/38/72/532343872.db2.gz QASOIOMHONNXJS-CQSZACIVSA-N 1 0 385.302 2.255 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(F)cc3Br)C2)CC1 ZINC000187475472 532344606 /nfs/dbraw/zinc/34/46/06/532344606.db2.gz LXZRLSDVZGDDGU-MRXNPFEDSA-N 1 0 398.320 2.369 20 0 GEADRO CSc1ccccc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000187534959 532344760 /nfs/dbraw/zinc/34/47/60/532344760.db2.gz XQIUGLFQEAWSKB-HZPDHXFCSA-N 1 0 384.567 2.455 20 0 GEADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCOc2ccc(Br)cc2)C1(C)C ZINC000187554612 532344776 /nfs/dbraw/zinc/34/47/76/532344776.db2.gz SXMYXWYBJMZRJB-WMLDXEAASA-N 1 0 385.302 2.477 20 0 GEADRO [NH3+]Cc1cc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)co1 ZINC000187569106 532344825 /nfs/dbraw/zinc/34/48/25/532344825.db2.gz MIOIFPWWPJHCJH-UHFFFAOYSA-N 1 0 392.253 2.099 20 0 GEADRO CC(C)(C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@@]1(O)CCOC1 ZINC000647246264 532372617 /nfs/dbraw/zinc/37/26/17/532372617.db2.gz AYUYGOAZAOYQMY-QGZVFWFLSA-N 1 0 386.286 2.488 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCO1 ZINC000647234184 532372734 /nfs/dbraw/zinc/37/27/34/532372734.db2.gz MQDSAWUJNCZJDL-SMDDNHRTSA-N 1 0 383.539 2.331 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)CCc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000425201436 532372751 /nfs/dbraw/zinc/37/27/51/532372751.db2.gz LQDKRIFTPNNEAY-SFHVURJKSA-N 1 0 387.977 2.074 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2OC)CC[C@@H]1[NH3+] ZINC000647268879 532373253 /nfs/dbraw/zinc/37/32/53/532373253.db2.gz JDQOSLOLELBCCT-SKDRFNHKSA-N 1 0 395.294 2.345 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(F)cc1Br ZINC000647264499 532373515 /nfs/dbraw/zinc/37/35/15/532373515.db2.gz DWAQCMDVUWSCEI-GXFFZTMASA-N 1 0 377.279 2.269 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)cc21 ZINC000647264531 532373661 /nfs/dbraw/zinc/37/36/61/532373661.db2.gz GIJOJPMURBCHEC-ABAIWWIYSA-N 1 0 398.326 2.313 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2Br)CC[C@@H]1[NH3+] ZINC000647268603 532373709 /nfs/dbraw/zinc/37/37/09/532373709.db2.gz FCAFZMOCCNEQQM-GWCFXTLKSA-N 1 0 377.304 2.206 20 0 GEADRO CC[N@@H+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000515888239 532374007 /nfs/dbraw/zinc/37/40/07/532374007.db2.gz OFWFLBWOPZPDNJ-GFCCVEGCSA-N 1 0 383.286 2.315 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC000425214102 532374502 /nfs/dbraw/zinc/37/45/02/532374502.db2.gz IMARHIAAIWZATJ-SMDDNHRTSA-N 1 0 389.315 2.172 20 0 GEADRO OC[C@@H](CN1CCCCC1)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000647535831 532374996 /nfs/dbraw/zinc/37/49/96/532374996.db2.gz XYWUSJSRYKHDJO-CABCVRRESA-N 1 0 377.312 2.170 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000294751029 532378663 /nfs/dbraw/zinc/37/86/63/532378663.db2.gz IDUXSSDBUZFPPN-BBRMVZONSA-N 1 0 398.345 2.488 20 0 GEADRO [NH3+]Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)ccn1 ZINC000463484567 532375343 /nfs/dbraw/zinc/37/53/43/532375343.db2.gz RSCPUFXZPWQULZ-ZDUSSCGKSA-N 1 0 375.270 2.312 20 0 GEADRO Cc1cnc(NC[C@H](O)C[NH+]2CCC(C)CC2)c(I)c1 ZINC000425222312 532376630 /nfs/dbraw/zinc/37/66/30/532376630.db2.gz GPMJULIYKXSQPT-ZDUSSCGKSA-N 1 0 389.281 2.499 20 0 GEADRO CCSCC[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000371915156 532362236 /nfs/dbraw/zinc/36/22/36/532362236.db2.gz KXUWFOWPHDCHCC-UHFFFAOYSA-N 1 0 385.555 2.141 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000515384084 532362736 /nfs/dbraw/zinc/36/27/36/532362736.db2.gz FJJKGKPBJHHSRP-SNVBAGLBSA-N 1 0 382.258 2.124 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000647010866 532363301 /nfs/dbraw/zinc/36/33/01/532363301.db2.gz YEGMTCQDCNDTAO-AXFHLTTASA-N 1 0 388.331 2.215 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Cc1csc(NC(=O)c3cccs3)n1)C2 ZINC000621682994 532364096 /nfs/dbraw/zinc/36/40/96/532364096.db2.gz OLEOMHFNNYQLCD-DIFFPNOSSA-N 1 0 376.507 2.339 20 0 GEADRO C[C@@H](COCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000371971743 532364376 /nfs/dbraw/zinc/36/43/76/532364376.db2.gz AERKDRAWZIOFKH-NSHDSACASA-N 1 0 386.461 2.458 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000515432622 532364622 /nfs/dbraw/zinc/36/46/22/532364622.db2.gz HGRQAVVTTCEVBP-OAHLLOKOSA-N 1 0 382.302 2.007 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621672118 532365067 /nfs/dbraw/zinc/36/50/67/532365067.db2.gz SZCXFXDCLLNGPL-CYBMUJFWSA-N 1 0 377.229 2.426 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000647034400 532365479 /nfs/dbraw/zinc/36/54/79/532365479.db2.gz OFVPTOVHACRCEW-ZFWWWQNUSA-N 1 0 381.249 2.407 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000463061663 532365620 /nfs/dbraw/zinc/36/56/20/532365620.db2.gz QRXWLFZDCZGPFH-GXFFZTMASA-N 1 0 379.258 2.427 20 0 GEADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000677177535 532366957 /nfs/dbraw/zinc/36/69/57/532366957.db2.gz PEWRWGNTUDYQAT-UHFFFAOYSA-N 1 0 381.523 2.036 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2csc(-c3cccs3)n2)C1 ZINC000590316505 532367449 /nfs/dbraw/zinc/36/74/49/532367449.db2.gz GBGGMTCZUIZPCK-GFCCVEGCSA-N 1 0 378.523 2.189 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000372028052 532367915 /nfs/dbraw/zinc/36/79/15/532367915.db2.gz KMDVHBPETCKKSI-HIFRSBDPSA-N 1 0 381.318 2.271 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2c(F)cc(C)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000425175692 532369277 /nfs/dbraw/zinc/36/92/77/532369277.db2.gz KMTROWZSJZOUNG-HUUCEWRRSA-N 1 0 376.494 2.474 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCO1 ZINC000647235215 532371842 /nfs/dbraw/zinc/37/18/42/532371842.db2.gz RLZFOFPGHPCCOA-MLGOLLRUSA-N 1 0 388.917 2.256 20 0 GEADRO O=S1(=O)CCC(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000677324169 532372104 /nfs/dbraw/zinc/37/21/04/532372104.db2.gz XQNHXEYZFUVKGS-UHFFFAOYSA-N 1 0 390.299 2.135 20 0 GEADRO CCC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](CC)CC)CCC(F)(F)F ZINC000464276672 532395169 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C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000677849106 532384693 /nfs/dbraw/zinc/38/46/93/532384693.db2.gz VHSZGOJJEBBROW-CXAGYDPISA-N 1 0 389.924 2.126 20 0 GEADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000516450831 532386033 /nfs/dbraw/zinc/38/60/33/532386033.db2.gz QKDVPXVDOPORNZ-ZANVPECISA-N 1 0 382.251 2.373 20 0 GEADRO Cc1cc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)ncc1Br ZINC000623342523 532386307 /nfs/dbraw/zinc/38/63/07/532386307.db2.gz DRMHDCYWAJLZNO-UHFFFAOYSA-N 1 0 395.301 2.497 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)NCc2n[nH]cc2Br)CC[C@H]1c1ccc(F)cc1 ZINC000516431562 532386433 /nfs/dbraw/zinc/38/64/33/532386433.db2.gz YXAWLRSSMZMDHM-GXTWGEPZSA-N 1 0 396.264 2.338 20 0 GEADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123297 532386833 /nfs/dbraw/zinc/38/68/33/532386833.db2.gz QZYHJKHSUBNRJO-BONVTDFDSA-N 1 0 376.254 2.115 20 0 GEADRO C[C@H]1CN(C(=O)Cc2ccccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372368886 532387671 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2.475 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000516979594 532400225 /nfs/dbraw/zinc/40/02/25/532400225.db2.gz QBSYQBWDLKDCPG-OAHLLOKOSA-N 1 0 378.519 2.290 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CCN1CCOC ZINC000559053958 532400272 /nfs/dbraw/zinc/40/02/72/532400272.db2.gz PGZMODFXXXWXJD-MRXNPFEDSA-N 1 0 376.469 2.497 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000624633310 532400464 /nfs/dbraw/zinc/40/04/64/532400464.db2.gz NZNUGYPIZKKZBC-KGLIPLIRSA-N 1 0 383.290 2.279 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000559051669 532400593 /nfs/dbraw/zinc/40/05/93/532400593.db2.gz JCIGIFIPKTVWKN-UHFFFAOYSA-N 1 0 375.485 2.023 20 0 GEADRO C[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc(Br)cc1F ZINC000372686047 532401220 /nfs/dbraw/zinc/40/12/20/532401220.db2.gz WFNQHMBWMFWDKT-SNVBAGLBSA-N 1 0 383.269 2.431 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C1 ZINC000464564742 532399074 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CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1C ZINC000559941676 532407306 /nfs/dbraw/zinc/40/73/06/532407306.db2.gz BTGVHTDDHVLYOC-DGCLKSJQSA-N 1 0 383.290 2.114 20 0 GEADRO CC[C@H](Cn1cncn1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000559914020 532407669 /nfs/dbraw/zinc/40/76/69/532407669.db2.gz FNELBBJVTOLHHJ-CYBMUJFWSA-N 1 0 376.404 2.269 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000517176787 532407936 /nfs/dbraw/zinc/40/79/36/532407936.db2.gz FQRIGTSRJQPFAM-BXKDBHETSA-N 1 0 395.294 2.487 20 0 GEADRO Cc1cc(I)cc(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000591306778 532406045 /nfs/dbraw/zinc/40/60/45/532406045.db2.gz CHCXLHOATLDANM-GXFFZTMASA-N 1 0 389.237 2.180 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(Br)cc1C(=O)OC ZINC000591292027 532406417 /nfs/dbraw/zinc/40/64/17/532406417.db2.gz CBUZQQHSJJNIOY-QWRGUYRKSA-N 1 0 388.237 2.399 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)c(Br)c1 ZINC000295128917 532406565 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GEADRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000560062254 532410739 /nfs/dbraw/zinc/41/07/39/532410739.db2.gz CTIOIKPRPRBBGO-BBRMVZONSA-N 1 0 389.924 2.126 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000192823382 532413210 /nfs/dbraw/zinc/41/32/10/532413210.db2.gz WBFKCNNCSIBZSW-OCCSQVGLSA-N 1 0 388.917 2.462 20 0 GEADRO O=C(c1ccncc1I)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000372836331 532413324 /nfs/dbraw/zinc/41/33/24/532413324.db2.gz KDEWPOZJQLQDGQ-WHOFXGATSA-N 1 0 397.260 2.243 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000192821924 532413479 /nfs/dbraw/zinc/41/34/79/532413479.db2.gz AYVIDMNOTZYKTP-LBPRGKRZSA-N 1 0 376.906 2.462 20 0 GEADRO Cn1ncc(Br)c1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000649199231 532416155 /nfs/dbraw/zinc/41/61/55/532416155.db2.gz UZANGBSURWTEIT-LLVKDONJSA-N 1 0 379.258 2.152 20 0 GEADRO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280924055 532416435 /nfs/dbraw/zinc/41/64/35/532416435.db2.gz RISMQYXULYKOOF-RISCZKNCSA-N 1 0 396.962 2.112 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)N1CCNC(=O)[C@@H]1c1cccs1)c1ccsc1 ZINC000465534138 532418507 /nfs/dbraw/zinc/41/85/07/532418507.db2.gz OGIOLUWMIUKPIL-HIFRSBDPSA-N 1 0 378.523 2.295 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ncccc2Br)CC1 ZINC000193039831 532418755 /nfs/dbraw/zinc/41/87/55/532418755.db2.gz BNVCVUYPWJQUJP-GJZGRUSLSA-N 1 0 395.345 2.475 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Br)ccc1OC(F)F ZINC000649216271 532418025 /nfs/dbraw/zinc/41/80/25/532418025.db2.gz IVNVCXKASNCQTR-HNNXBMFYSA-N 1 0 395.244 2.483 20 0 GEADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000681007785 532420968 /nfs/dbraw/zinc/42/09/68/532420968.db2.gz WLEMLMCYSZCTJI-AWEZNQCLSA-N 1 0 375.270 2.312 20 0 GEADRO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 ZINC000427286413 532419262 /nfs/dbraw/zinc/41/92/62/532419262.db2.gz AOAPVCUIKIFWCY-HNNXBMFYSA-N 1 0 379.507 2.389 20 0 GEADRO CN1CCC[C@]2(CC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)C1=O ZINC000372901846 532419438 /nfs/dbraw/zinc/41/94/38/532419438.db2.gz GFNMCMGSRSSHGX-MAUKXSAKSA-N 1 0 397.313 2.133 20 0 GEADRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)cn1 ZINC000280956693 532419838 /nfs/dbraw/zinc/41/98/38/532419838.db2.gz SAGUTUHAQHTERK-GFCCVEGCSA-N 1 0 385.306 2.315 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000465786158 532420073 /nfs/dbraw/zinc/42/00/73/532420073.db2.gz NRVPQCYCRFKKFJ-TZMCWYRMSA-N 1 0 397.317 2.478 20 0 GEADRO CN(CCC[NH3+])C(=O)CCCOc1ccc(I)cc1 ZINC000591678878 532420126 /nfs/dbraw/zinc/42/01/26/532420126.db2.gz HLSJUEXMOFYRHY-UHFFFAOYSA-N 1 0 376.238 2.257 20 0 GEADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(S(N)(=O)=O)s1)c1ccccc1 ZINC000517566988 532420347 /nfs/dbraw/zinc/42/03/47/532420347.db2.gz WLHXICOVNFZUBJ-GFCCVEGCSA-N 1 0 381.523 2.255 20 0 GEADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000649706070 532422950 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CC1CC[NH+](C[C@@H](O)CNc2ncccc2I)CC1 ZINC000427371125 532423889 /nfs/dbraw/zinc/42/38/89/532423889.db2.gz YUNUROQWQLYRKI-LBPRGKRZSA-N 1 0 375.254 2.191 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000625405554 532424243 /nfs/dbraw/zinc/42/42/43/532424243.db2.gz GQVVZMGWYLEYEW-NSHDSACASA-N 1 0 377.432 2.183 20 0 GEADRO C[C@H](CNC(=O)NCCNc1cc[nH+]cc1)Oc1cccc(Br)c1 ZINC000466296356 532424664 /nfs/dbraw/zinc/42/46/64/532424664.db2.gz GVWUHFWCQSEQAV-CYBMUJFWSA-N 1 0 393.285 2.445 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649790150 532425019 /nfs/dbraw/zinc/42/50/19/532425019.db2.gz KQONITREHRNNRR-INIZCTEOSA-N 1 0 395.301 2.193 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ncc(Cl)n2C)s1 ZINC000281602548 532426821 /nfs/dbraw/zinc/42/68/21/532426821.db2.gz GAGFSZFZGXCLDG-UHFFFAOYSA-N 1 0 390.962 2.498 20 0 GEADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373040139 532428100 /nfs/dbraw/zinc/42/81/00/532428100.db2.gz AONQMJQEJKUVKA-AMIZOPFISA-N 1 0 392.187 2.393 20 0 GEADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373040142 532428498 /nfs/dbraw/zinc/42/84/98/532428498.db2.gz AONQMJQEJKUVKA-ISVAXAHUSA-N 1 0 392.187 2.393 20 0 GEADRO CC(C)CN(C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000281627742 532427722 /nfs/dbraw/zinc/42/77/22/532427722.db2.gz QFCKFJIBZYHMAR-UHFFFAOYSA-N 1 0 387.933 2.180 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000561021535 532427791 /nfs/dbraw/zinc/42/77/91/532427791.db2.gz NNWGRJXGPGEUFP-GFCCVEGCSA-N 1 0 379.262 2.293 20 0 GEADRO C[NH+](C)CC1(NC(=O)Cc2cc3c(cc2Br)OCCO3)CCC1 ZINC000466570243 532430244 /nfs/dbraw/zinc/43/02/44/532430244.db2.gz OVMOPSRZDUYFSY-UHFFFAOYSA-N 1 0 383.286 2.363 20 0 GEADRO C[N@H+](CCC(=O)Nc1cccc(Br)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295302257 532431758 /nfs/dbraw/zinc/43/17/58/532431758.db2.gz FJQJXECDIKRVEH-HOTGVXAUSA-N 1 0 382.302 2.183 20 0 GEADRO O=C(Cc1cc[nH]c(=O)c1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000373092683 532431754 /nfs/dbraw/zinc/43/17/54/532431754.db2.gz NKYUNGBLDGRSJL-MELADBBJSA-N 1 0 380.286 2.035 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C1)C1CCC1 ZINC000373100980 532431823 /nfs/dbraw/zinc/43/18/23/532431823.db2.gz VQIFZLSIXSFEIU-CVEARBPZSA-N 1 0 397.313 2.179 20 0 GEADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561206788 532432042 /nfs/dbraw/zinc/43/20/42/532432042.db2.gz HXHAIJHZMQVQFP-NSHDSACASA-N 1 0 385.295 2.054 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000373175499 532436089 /nfs/dbraw/zinc/43/60/89/532436089.db2.gz ZLQGVMUDLUILSV-CNDDSTCGSA-N 1 0 380.491 2.331 20 0 GEADRO CCCN(CC1CC1)S(=O)(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000466889077 532436278 /nfs/dbraw/zinc/43/62/78/532436278.db2.gz SBFMGNFAMLBWQR-UHFFFAOYSA-N 1 0 375.579 2.176 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000592045327 532436327 /nfs/dbraw/zinc/43/63/27/532436327.db2.gz DXIDAQZRGKZNRK-OLZOCXBDSA-N 1 0 395.472 2.301 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000373175500 532436841 /nfs/dbraw/zinc/43/68/41/532436841.db2.gz ZLQGVMUDLUILSV-ZSBIGDGJSA-N 1 0 380.491 2.331 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000561229888 532433151 /nfs/dbraw/zinc/43/31/51/532433151.db2.gz HMSQLGGJCCNYSL-QCEMKRCNSA-N 1 0 394.313 2.055 20 0 GEADRO CC(C)n1c(Sc2ccc(S(C)(=O)=O)cn2)nnc1[C@H]1CCC[NH2+]C1 ZINC000561226835 532433636 /nfs/dbraw/zinc/43/36/36/532433636.db2.gz OUDRKJXEXSRBFM-LBPRGKRZSA-N 1 0 381.527 2.276 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c(C)nc2OC)C1 ZINC000681623847 532433989 /nfs/dbraw/zinc/43/39/89/532433989.db2.gz XGWPCAWFZPIDTG-GFCCVEGCSA-N 1 0 386.290 2.002 20 0 GEADRO CN(C)c1cccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)n1 ZINC000373157382 532434528 /nfs/dbraw/zinc/43/45/28/532434528.db2.gz YCOMEOPQAWIPIQ-UHFFFAOYSA-N 1 0 380.539 2.152 20 0 GEADRO C[N@H+](C[C@@H](O)c1ccccc1Br)CC1CCS(=O)(=O)CC1 ZINC000295340114 532435212 /nfs/dbraw/zinc/43/52/12/532435212.db2.gz NJLFGKHIDCGRKM-OAHLLOKOSA-N 1 0 376.316 2.239 20 0 GEADRO C[NH+](C)CCc1ccccc1NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000682099664 532440819 /nfs/dbraw/zinc/44/08/19/532440819.db2.gz ZKDYNVWLSGXVEY-UHFFFAOYSA-N 1 0 381.885 2.344 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cnc(NC(C)=O)s1)CC(C)C ZINC000561470359 532440954 /nfs/dbraw/zinc/44/09/54/532440954.db2.gz MHYBTNUXJWBPEC-ZDUSSCGKSA-N 1 0 376.548 2.136 20 0 GEADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000427931386 532437315 /nfs/dbraw/zinc/43/73/15/532437315.db2.gz LMZSIDWUFJEMIZ-NSHDSACASA-N 1 0 378.336 2.311 20 0 GEADRO CC1=C(Br)CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000281853459 532437945 /nfs/dbraw/zinc/43/79/45/532437945.db2.gz QFUIWKABFFHYOJ-UHFFFAOYSA-N 1 0 393.329 2.495 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3F)C[C@H]21 ZINC000427951204 532438222 /nfs/dbraw/zinc/43/82/22/532438222.db2.gz ORKJWZVVDXSVSW-HBNTYKKESA-N 1 0 382.379 2.472 20 0 GEADRO O=C(CN1CCOc2ccc(Br)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000467142242 532439746 /nfs/dbraw/zinc/43/97/46/532439746.db2.gz OSNCRGCGUWDXPC-UHFFFAOYSA-N 1 0 394.313 2.391 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000282049114 532441511 /nfs/dbraw/zinc/44/15/11/532441511.db2.gz PGYRULJPCFAGCY-UHFFFAOYSA-N 1 0 397.285 2.489 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000427958411 532439969 /nfs/dbraw/zinc/43/99/69/532439969.db2.gz IXDKVAAQHRWQJS-CJNGLKHVSA-N 1 0 380.901 2.207 20 0 GEADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCC[N@@H+]1C ZINC000467168911 532440232 /nfs/dbraw/zinc/44/02/32/532440232.db2.gz KTXQDOKKAKWYQL-QPUJVOFHSA-N 1 0 390.228 2.265 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000626835952 532442386 /nfs/dbraw/zinc/44/23/86/532442386.db2.gz MYFXGWIVGGLPKD-ONGXEEELSA-N 1 0 386.315 2.366 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000626834728 532442455 /nfs/dbraw/zinc/44/24/55/532442455.db2.gz IVWUGGWWOHPMIV-INIZCTEOSA-N 1 0 398.326 2.322 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000626837261 532442497 /nfs/dbraw/zinc/44/24/97/532442497.db2.gz PMEBLTSVPYINNU-GWCFXTLKSA-N 1 0 398.326 2.320 20 0 GEADRO CCC[N@H+](C)CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000518574357 532443400 /nfs/dbraw/zinc/44/34/00/532443400.db2.gz FGFYYNUTRNJCSA-ZDUSSCGKSA-N 1 0 397.317 2.363 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626848443 532443641 /nfs/dbraw/zinc/44/36/41/532443641.db2.gz CRGQUOZIJGLOQE-CYBMUJFWSA-N 1 0 380.286 2.405 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1Br ZINC000626841823 532443660 /nfs/dbraw/zinc/44/36/60/532443660.db2.gz FHNWAKHKDMZYLJ-UHFFFAOYSA-N 1 0 386.315 2.497 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000626846509 532444143 /nfs/dbraw/zinc/44/41/43/532444143.db2.gz RTFJTLQVTREXIB-GFCCVEGCSA-N 1 0 390.228 2.122 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000626844667 532444254 /nfs/dbraw/zinc/44/42/54/532444254.db2.gz OGXYSPBNRMYZSK-GFCCVEGCSA-N 1 0 375.803 2.336 20 0 GEADRO C[C@@H](CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000650416375 532444238 /nfs/dbraw/zinc/44/42/38/532444238.db2.gz DIEOOSQQPPKJHB-AWEZNQCLSA-N 1 0 385.555 2.429 20 0 GEADRO Cc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)ccc1I ZINC000467373418 532445226 /nfs/dbraw/zinc/44/52/26/532445226.db2.gz MCYDGSWPTDKKES-GFCCVEGCSA-N 1 0 379.263 2.266 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc1Br ZINC000626838201 532441639 /nfs/dbraw/zinc/44/16/39/532441639.db2.gz QSYYLIRECQQFHV-VIFPVBQESA-N 1 0 396.257 2.208 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626838438 532441782 /nfs/dbraw/zinc/44/17/82/532441782.db2.gz VZRPGBCRIAZIHB-ZETCQYMHSA-N 1 0 380.645 2.424 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000626838846 532441794 /nfs/dbraw/zinc/44/17/94/532441794.db2.gz PRGILDNOLZOAQC-AAEUAGOBSA-N 1 0 392.297 2.071 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000626835371 532441805 /nfs/dbraw/zinc/44/18/05/532441805.db2.gz MVMLGJSYPBBGCC-BXKDBHETSA-N 1 0 386.315 2.224 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000682196098 532441926 /nfs/dbraw/zinc/44/19/26/532441926.db2.gz MNBWYUTXSXAQHP-MRXNPFEDSA-N 1 0 398.326 2.267 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295385885 532442036 /nfs/dbraw/zinc/44/20/36/532442036.db2.gz HFIDWFCMSBCHKY-DZGCQCFKSA-N 1 0 385.302 2.179 20 0 GEADRO O=C(Nc1cc(Cl)c(Br)cc1F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000626839218 532442182 /nfs/dbraw/zinc/44/21/82/532442182.db2.gz CMYAPUDAMOTBCU-MRVPVSSYSA-N 1 0 392.656 2.438 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)NCc1ccc(Br)cc1Cl ZINC000626952782 532447092 /nfs/dbraw/zinc/44/70/92/532447092.db2.gz JJQSUTGWOVTGFW-UHFFFAOYSA-N 1 0 378.698 2.480 20 0 GEADRO 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VEJWGHWBFUPTEM-UHFFFAOYSA-N 1 0 384.318 2.186 20 0 GEADRO O=C(CN1CCCC[C@@H](CO)C1)Nc1ccccc1I ZINC000374049349 532485765 /nfs/dbraw/zinc/48/57/65/532485765.db2.gz JOYQPFSNSYHTNG-GFCCVEGCSA-N 1 0 388.249 2.324 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000429957676 532485894 /nfs/dbraw/zinc/48/58/94/532485894.db2.gz HLLZIBRBULLQIA-INIZCTEOSA-N 1 0 397.313 2.340 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)C1 ZINC000562841822 532486653 /nfs/dbraw/zinc/48/66/53/532486653.db2.gz XXCBTPDEDLDBCQ-IUODEOHRSA-N 1 0 376.881 2.386 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)C1 ZINC000562841823 532486679 /nfs/dbraw/zinc/48/66/79/532486679.db2.gz XXCBTPDEDLDBCQ-SWLSCSKDSA-N 1 0 376.881 2.386 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)C2(c3cncc(Br)c3)CC2)cn1 ZINC000684900122 532487296 /nfs/dbraw/zinc/48/72/96/532487296.db2.gz CODYYEIJGILLRG-UHFFFAOYSA-N 1 0 378.274 2.273 20 0 GEADRO CCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)NCCF)cc1OC 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[NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccccc3I)C[C@@H]21 ZINC000230048845 532490943 /nfs/dbraw/zinc/49/09/43/532490943.db2.gz VYFVYNMYOXHKHH-SGMGOOAPSA-N 1 0 399.276 2.289 20 0 GEADRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)CN1CC[NH+](C)CC1 ZINC000562993883 532491877 /nfs/dbraw/zinc/49/18/77/532491877.db2.gz QRQAVHIRVQYPIO-GOEBONIOSA-N 1 0 390.355 2.206 20 0 GEADRO CNS(=O)(=O)c1ccc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)s1 ZINC000562986119 532491907 /nfs/dbraw/zinc/49/19/07/532491907.db2.gz OMGFYOHSROPZEG-UHFFFAOYSA-N 1 0 389.449 2.053 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000563118816 532497201 /nfs/dbraw/zinc/49/72/01/532497201.db2.gz HGKLHEURCJMGNO-HZMBPMFUSA-N 1 0 389.905 2.197 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000651768194 532492604 /nfs/dbraw/zinc/49/26/04/532492604.db2.gz BJPQQCQHEOLJJF-UHFFFAOYSA-N 1 0 389.949 2.264 20 0 GEADRO CN(C)[C@@]1(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CCSC1 ZINC000562988935 532492642 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COCC[NH2+]C1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629541634 532494825 /nfs/dbraw/zinc/49/48/25/532494825.db2.gz YDMNNXFYTNHUDI-KRWDZBQOSA-N 1 0 396.329 2.403 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000520542654 532495102 /nfs/dbraw/zinc/49/51/02/532495102.db2.gz XEWYGJYZUHZTMV-UHFFFAOYSA-N 1 0 379.262 2.151 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000520568625 532495617 /nfs/dbraw/zinc/49/56/17/532495617.db2.gz AOTRTPHDJFDFIW-LBPRGKRZSA-N 1 0 382.309 2.148 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000430282612 532496352 /nfs/dbraw/zinc/49/63/52/532496352.db2.gz WDCLNKMLFGIJLW-UHFFFAOYSA-N 1 0 379.258 2.186 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000563031877 532496330 /nfs/dbraw/zinc/49/63/30/532496330.db2.gz XNNMMEAQTHMLGJ-JTQLQIEISA-N 1 0 375.803 2.338 20 0 GEADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000295762978 532474681 /nfs/dbraw/zinc/47/46/81/532474681.db2.gz RTCDRMNFMOCFMT-HNNXBMFYSA-N 1 0 376.469 2.482 20 0 GEADRO Cn1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc(Br)c1=O ZINC000373850087 532474656 /nfs/dbraw/zinc/47/46/56/532474656.db2.gz QZNUPLCDNLEVHZ-UHFFFAOYSA-N 1 0 383.290 2.286 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000519660638 532474805 /nfs/dbraw/zinc/47/48/05/532474805.db2.gz XEKCLUJEBNPNFE-QWRGUYRKSA-N 1 0 376.507 2.429 20 0 GEADRO COCCN1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429401703 532475140 /nfs/dbraw/zinc/47/51/40/532475140.db2.gz BAARGQWSHYRSHW-MRXNPFEDSA-N 1 0 385.346 2.301 20 0 GEADRO C[N@@H+]1CCCN(CCCNC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000684282349 532476104 /nfs/dbraw/zinc/47/61/04/532476104.db2.gz OVQFNPPYONNFHP-UHFFFAOYSA-N 1 0 394.317 2.083 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C2([NH3+])CCCCC2)s1 ZINC000236991003 532502662 /nfs/dbraw/zinc/50/26/62/532502662.db2.gz GXHZUKZQDJRPON-UHFFFAOYSA-N 1 0 387.571 2.099 20 0 GEADRO C[NH2+]C1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000237064102 532503739 /nfs/dbraw/zinc/50/37/39/532503739.db2.gz PYVWKHVUKRUOJL-UHFFFAOYSA-N 1 0 383.290 2.171 20 0 GEADRO O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431020756 532503755 /nfs/dbraw/zinc/50/37/55/532503755.db2.gz DIYSPSLWXHZQRF-UHFFFAOYSA-N 1 0 378.416 2.392 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)n(C)c2=O)C[C@H]1C ZINC000469456043 532504043 /nfs/dbraw/zinc/50/40/43/532504043.db2.gz BIZLLBJMNZCHEA-DGCLKSJQSA-N 1 0 384.318 2.401 20 0 GEADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC(C)(C)CCC[NH3+])c1 ZINC000431032131 532504160 /nfs/dbraw/zinc/50/41/60/532504160.db2.gz HZFIOYQIWNFYMV-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000629912096 532504206 /nfs/dbraw/zinc/50/42/06/532504206.db2.gz JUQUDOSNDQISPT-JTQLQIEISA-N 1 0 386.677 2.380 20 0 GEADRO O=C(CCc1nc2cc(Br)ccc2s1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913770 532504549 /nfs/dbraw/zinc/50/45/49/532504549.db2.gz KFWIZMOVLKLAGG-LBPRGKRZSA-N 1 0 398.326 2.174 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000521063939 532504900 /nfs/dbraw/zinc/50/49/00/532504900.db2.gz OUQYJNGPEMJGMO-AWEZNQCLSA-N 1 0 378.929 2.368 20 0 GEADRO CN(C(=O)Nc1cc(F)c(I)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000563444726 532505052 /nfs/dbraw/zinc/50/50/52/532505052.db2.gz SUIMHHVHLOVNQW-MRVPVSSYSA-N 1 0 381.164 2.395 20 0 GEADRO CCO[C@@H]1CN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C[C@H]1C[NH3+] ZINC000652188358 532505457 /nfs/dbraw/zinc/50/54/57/532505457.db2.gz KEYCWPBHADMMAX-KCPJHIHWSA-N 1 0 398.301 2.278 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1Br ZINC000237230050 532506097 /nfs/dbraw/zinc/50/60/97/532506097.db2.gz SHXKNFWRKMVNID-GXFFZTMASA-N 1 0 377.304 2.254 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1F ZINC000594455906 532506628 /nfs/dbraw/zinc/50/66/28/532506628.db2.gz FKAKXCNYXDIFHW-OLZOCXBDSA-N 1 0 390.864 2.171 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563620436 532506798 /nfs/dbraw/zinc/50/67/98/532506798.db2.gz YIJHNIZWDIMZEN-ZDUSSCGKSA-N 1 0 396.329 2.002 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000563608583 532506983 /nfs/dbraw/zinc/50/69/83/532506983.db2.gz OSFAVLQRYCOXOL-MPESAESLSA-N 1 0 397.317 2.491 20 0 GEADRO COC(=O)CNC(=O)CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296209946 532507219 /nfs/dbraw/zinc/50/72/19/532507219.db2.gz JOKCHRITWBYSOW-UHFFFAOYSA-N 1 0 379.404 2.021 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000237326497 532507571 /nfs/dbraw/zinc/50/75/71/532507571.db2.gz NNCRDIDZOJIBEG-NSHDSACASA-N 1 0 388.331 2.222 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)C1 ZINC000652375036 532507771 /nfs/dbraw/zinc/50/77/71/532507771.db2.gz HDKDREITFIOGFM-XHBSWPGZSA-N 1 0 376.881 2.386 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000296226915 532507934 /nfs/dbraw/zinc/50/79/34/532507934.db2.gz CCTNASPJYYQTOH-MRXNPFEDSA-N 1 0 384.293 2.329 20 0 GEADRO C[NH2+]C[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000237294522 532507986 /nfs/dbraw/zinc/50/79/86/532507986.db2.gz CEKXBCBSJVYSLM-LBPRGKRZSA-N 1 0 382.302 2.482 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000563637012 532508316 /nfs/dbraw/zinc/50/83/16/532508316.db2.gz NNZLXUQDTNCZMG-GFCCVEGCSA-N 1 0 395.294 2.393 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000652372704 532508475 /nfs/dbraw/zinc/50/84/75/532508475.db2.gz GYLJIIQPWUFJBN-UHFFFAOYSA-N 1 0 397.360 2.208 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)C1 ZINC000652375034 532508485 /nfs/dbraw/zinc/50/84/85/532508485.db2.gz HDKDREITFIOGFM-HWWQOWPSSA-N 1 0 376.881 2.386 20 0 GEADRO C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000237687961 532508839 /nfs/dbraw/zinc/50/88/39/532508839.db2.gz RZZNIGYMIRUUNB-WFASDCNBSA-N 1 0 382.302 2.155 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)c2cc(C)c(Br)cc2C)C[C@H]1C[NH3+] ZINC000652379650 532509762 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COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594484335 532511167 /nfs/dbraw/zinc/51/11/67/532511167.db2.gz PTOJVWPEVWRRKC-CABCVRRESA-N 1 0 386.901 2.422 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)COc2cccc(I)c2)CCC[N@@H+]1C ZINC000469762217 532511287 /nfs/dbraw/zinc/51/12/87/532511287.db2.gz FCSJSLSJRATTKT-RISCZKNCSA-N 1 0 388.249 2.269 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCCS(=O)(=O)N(C)C ZINC000469749541 532511307 /nfs/dbraw/zinc/51/13/07/532511307.db2.gz AZBVVZFMHXFWPN-LLVKDONJSA-N 1 0 379.320 2.390 20 0 GEADRO Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000237724599 532511481 /nfs/dbraw/zinc/51/14/81/532511481.db2.gz WISVWQPYMNVTSE-GFCCVEGCSA-N 1 0 378.523 2.107 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000563874792 532511557 /nfs/dbraw/zinc/51/15/57/532511557.db2.gz KKIINWFAKLJUEJ-CQSZACIVSA-N 1 0 379.302 2.247 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000237921712 532512595 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O=C([C@H]1CCCN(Cc2cc(Br)ccc2F)C1)N1CC[NH2+]CC1 ZINC000469995147 532518175 /nfs/dbraw/zinc/51/81/75/532518175.db2.gz WRFPYYOILCTTDR-ZDUSSCGKSA-N 1 0 384.293 2.232 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000374274583 532497433 /nfs/dbraw/zinc/49/74/33/532497433.db2.gz ZJWWDXFDPVAHTJ-ZDUSSCGKSA-N 1 0 389.924 2.268 20 0 GEADRO COC[C@@]1(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCC[NH2+]1 ZINC000563107352 532497976 /nfs/dbraw/zinc/49/79/76/532497976.db2.gz BWDZGYNUMMTEDR-YOEHRIQHSA-N 1 0 383.901 2.028 20 0 GEADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cnn(-c2cc(Cl)ccc2OC)c1 ZINC000236855948 532498609 /nfs/dbraw/zinc/49/86/09/532498609.db2.gz HLHCSMBFXXXCSM-UHFFFAOYSA-N 1 0 386.905 2.330 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000236837870 532498735 /nfs/dbraw/zinc/49/87/35/532498735.db2.gz JKNDGKHFPFBOSX-QGZVFWFLSA-N 1 0 387.933 2.228 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000469302932 532499466 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CC[C@@H]1CN(C(=O)c2ccc(Br)cc2OC)CC[N@@H+]1C[C@H](C)O ZINC000246900980 532543987 /nfs/dbraw/zinc/54/39/87/532543987.db2.gz PPUADIJLVKHBQY-GXTWGEPZSA-N 1 0 385.302 2.375 20 0 GEADRO CC(C)[NH2+]CCC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000565038475 532544443 /nfs/dbraw/zinc/54/44/43/532544443.db2.gz OOROOQHZJIXQNU-UHFFFAOYSA-N 1 0 384.318 2.290 20 0 GEADRO CC(C)(C[NH2+]CCC(=O)Nc1cccc(Br)c1)N1CCOCC1 ZINC000564258705 532519922 /nfs/dbraw/zinc/51/99/22/532519922.db2.gz ZSFNAPYSOJBJFD-UHFFFAOYSA-N 1 0 384.318 2.478 20 0 GEADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Br)cnc2N(C)C)CCCO1 ZINC000470080852 532520102 /nfs/dbraw/zinc/52/01/02/532520102.db2.gz KGEJGGYNERSLTB-CYBMUJFWSA-N 1 0 399.333 2.141 20 0 GEADRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000470156558 532521167 /nfs/dbraw/zinc/52/11/67/532521167.db2.gz PIZULQYOWNGZJI-LBPRGKRZSA-N 1 0 383.491 2.382 20 0 GEADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccs1 ZINC000374879055 532522207 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383.583 2.483 20 0 GEADRO C[NH+]1CCN(CCNC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000630621887 532523965 /nfs/dbraw/zinc/52/39/65/532523965.db2.gz DTRFBJPREXQIHM-SJLPKXTDSA-N 1 0 380.330 2.090 20 0 GEADRO C[C@H](c1ccccc1Br)n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000630611702 532524355 /nfs/dbraw/zinc/52/43/55/532524355.db2.gz CDLAGOWWJFRFAA-GFCCVEGCSA-N 1 0 392.301 2.266 20 0 GEADRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000245904130 532525549 /nfs/dbraw/zinc/52/55/49/532525549.db2.gz OHNADICJEDXYRS-JLZZUVOBSA-N 1 0 382.917 2.339 20 0 GEADRO C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cc2cc(Br)ccc2o1 ZINC000296520170 532525892 /nfs/dbraw/zinc/52/58/92/532525892.db2.gz PWJJPVXNKSDXJP-ZUZCIYMTSA-N 1 0 388.283 2.396 20 0 GEADRO C[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cc2cc(Br)ccc2o1 ZINC000296520166 532526011 /nfs/dbraw/zinc/52/60/11/532526011.db2.gz PWJJPVXNKSDXJP-MEBBXXQBSA-N 1 0 388.283 2.396 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000523880921 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532578603 /nfs/dbraw/zinc/57/86/03/532578603.db2.gz DXVIKEDXZGZJEC-LBPRGKRZSA-N 1 0 381.278 2.440 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000376121876 532595384 /nfs/dbraw/zinc/59/53/84/532595384.db2.gz BPYPHVBCMKUBIA-NILFDRSVSA-N 1 0 398.301 2.182 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)cnc3Cl)C[C@@H]21 ZINC000375721845 532578987 /nfs/dbraw/zinc/57/89/87/532578987.db2.gz XHXZXZOEWFSKQD-DVVUODLYSA-N 1 0 394.722 2.245 20 0 GEADRO O=C(CC[C@@H]1CC[NH2+]C1)Nc1nc2cc(I)ccc2[nH]1 ZINC000595948506 532579326 /nfs/dbraw/zinc/57/93/26/532579326.db2.gz LXJIEYILOUJVTH-SECBINFHSA-N 1 0 384.221 2.496 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)cnc3Cl)C[C@H]21 ZINC000375721847 532579380 /nfs/dbraw/zinc/57/93/80/532579380.db2.gz XHXZXZOEWFSKQD-FBIMIBRVSA-N 1 0 394.722 2.245 20 0 GEADRO NS(=O)(=O)c1cc2c(cc1Cl)N(Cc1nccn1CC(F)(F)F)CC2 ZINC000528764643 532579839 /nfs/dbraw/zinc/57/98/39/532579839.db2.gz BHQAWDSKHHZLBL-UHFFFAOYSA-N 1 0 394.806 2.309 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1F)N1CC[NH+](C)CC1 ZINC000284177184 532579836 /nfs/dbraw/zinc/57/98/36/532579836.db2.gz GMAFYZQXAJRFNY-HNNXBMFYSA-N 1 0 377.913 2.029 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000375724160 532579937 /nfs/dbraw/zinc/57/99/37/532579937.db2.gz JRBSJDXSUKSROD-UHFFFAOYSA-N 1 0 395.301 2.306 20 0 GEADRO C[C@H]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)[C@@H](C)[C@H]1[NH3+] ZINC000297305919 532580072 /nfs/dbraw/zinc/58/00/72/532580072.db2.gz FNZFGVVMGHIZPN-JFILPPLUSA-N 1 0 394.313 2.386 20 0 GEADRO COCC1(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000261952036 532580026 /nfs/dbraw/zinc/58/00/26/532580026.db2.gz GCGBWMRZXTURMH-UHFFFAOYSA-N 1 0 381.325 2.429 20 0 GEADRO C[C@H](CNC(=O)NCCc1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000297302512 532580160 /nfs/dbraw/zinc/58/01/60/532580160.db2.gz QLIFFBOQQXGSPE-OAHLLOKOSA-N 1 0 397.361 2.174 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(F)ccc(Br)c1F ZINC000375755274 532580475 /nfs/dbraw/zinc/58/04/75/532580475.db2.gz MERWANXLJZKWOH-ZJUUUORDSA-N 1 0 375.213 2.320 20 0 GEADRO O=C(NCCc1ccc(I)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000595948637 532580491 /nfs/dbraw/zinc/58/04/91/532580491.db2.gz SOAJKXNXRKYDNR-HUUCEWRRSA-N 1 0 384.261 2.481 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000595944207 532580508 /nfs/dbraw/zinc/58/05/08/532580508.db2.gz LLRSRDKQVZNUJF-UHFFFAOYSA-N 1 0 380.539 2.315 20 0 GEADRO Cc1ccc(C)c(SCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000262010130 532581000 /nfs/dbraw/zinc/58/10/00/532581000.db2.gz NZWYBNRUIZNDIV-OAHLLOKOSA-N 1 0 375.460 2.348 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCC[C@H]3CC[NH2+]C3)ccc2s1 ZINC000261988746 532581085 /nfs/dbraw/zinc/58/10/85/532581085.db2.gz DQSYBGXFXZSOKY-GFCCVEGCSA-N 1 0 382.507 2.356 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)C[C@@H]1CCCC(F)(F)C1 ZINC000632129356 532581113 /nfs/dbraw/zinc/58/11/13/532581113.db2.gz INSHNXHFRSZFHB-KLHDSHLOSA-N 1 0 380.501 2.325 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000433874316 532581331 /nfs/dbraw/zinc/58/13/31/532581331.db2.gz VVFOECWCYVDCEN-JSGCOSHPSA-N 1 0 378.947 2.323 20 0 GEADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cncc(I)c1 ZINC000297331299 532581856 /nfs/dbraw/zinc/58/18/56/532581856.db2.gz ZWBQUOAPLJHTBK-UHFFFAOYSA-N 1 0 385.249 2.433 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284177342 532582087 /nfs/dbraw/zinc/58/20/87/532582087.db2.gz GNPBIFLIKXLYLX-HZPDHXFCSA-N 1 0 394.313 2.151 20 0 GEADRO COCC1(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC[NH2+]CC1 ZINC000261995886 532582173 /nfs/dbraw/zinc/58/21/73/532582173.db2.gz KTYHSDCUYOJMMY-UHFFFAOYSA-N 1 0 384.395 2.139 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000656333742 532613621 /nfs/dbraw/zinc/61/36/21/532613621.db2.gz KBGWVUYRZLXJNN-SMDDNHRTSA-N 1 0 394.313 2.115 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(Cc3nc(-c4cccc(Br)c4)no3)[C@@H]2C1 ZINC000284728562 532613760 /nfs/dbraw/zinc/61/37/60/532613760.db2.gz CGFIFLHWVKOLFC-HUUCEWRRSA-N 1 0 393.285 2.404 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCO[C@H](C[NH3+])C1 ZINC000435389718 532614684 /nfs/dbraw/zinc/61/46/84/532614684.db2.gz MDTSCGAGHZGXPR-MRXNPFEDSA-N 1 0 379.302 2.411 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566549829 532616253 /nfs/dbraw/zinc/61/62/53/532616253.db2.gz RAQSQPXQDWEZSR-INIZCTEOSA-N 1 0 384.249 2.129 20 0 GEADRO CS[C@@H]1CN(C(=O)c2c(C(F)(F)F)nc3n2CCCC3)C[C@H]1[NH+](C)C ZINC000597446509 532617810 /nfs/dbraw/zinc/61/78/10/532617810.db2.gz OJXFIKAOVQQXPA-GHMZBOCLSA-N 1 0 376.448 2.356 20 0 GEADRO C[NH+](C)C[C@H](CNS(=O)(=O)c1c[nH]c(=O)s1)c1ccc(Cl)cc1 ZINC000632506721 532617929 /nfs/dbraw/zinc/61/79/29/532617929.db2.gz ICWPBICCTXFGAA-NSHDSACASA-N 1 0 375.903 2.126 20 0 GEADRO Cc1c(C(=O)N(C)Cc2ccc(Br)o2)nnn1C1CC[NH2+]CC1 ZINC000566568169 532618216 /nfs/dbraw/zinc/61/82/16/532618216.db2.gz HFZPOLONGSLYHH-UHFFFAOYSA-N 1 0 382.262 2.139 20 0 GEADRO C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000566614136 532619122 /nfs/dbraw/zinc/61/91/22/532619122.db2.gz PZIVFCYSDBFCML-LLVKDONJSA-N 1 0 399.285 2.166 20 0 GEADRO C[C@@H](C(=O)N1CCCC1)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000656446740 532619651 /nfs/dbraw/zinc/61/96/51/532619651.db2.gz ZSJPCTNWQCQCHE-XHDPSFHLSA-N 1 0 378.274 2.272 20 0 GEADRO COC1([C@H](CO)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)CCC1 ZINC000656462687 532620859 /nfs/dbraw/zinc/62/08/59/532620859.db2.gz JIMISAPVFGJYSX-GJZGRUSLSA-N 1 0 381.274 2.191 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C(N)=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000632286151 532596680 /nfs/dbraw/zinc/59/66/80/532596680.db2.gz IBQAYCGITDXORC-ZNMIVQPWSA-N 1 0 382.302 2.164 20 0 GEADRO Cc1cnc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(I)c1 ZINC000596538449 532597619 /nfs/dbraw/zinc/59/76/19/532597619.db2.gz KVMREXHRERSFMJ-ZDUSSCGKSA-N 1 0 387.265 2.030 20 0 GEADRO O=C(NCCOc1cccc(Br)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262711496 532597738 /nfs/dbraw/zinc/59/77/38/532597738.db2.gz FMBYOAYENGNYLI-AWEZNQCLSA-N 1 0 393.285 2.379 20 0 GEADRO C[NH+](C)CCOCCNC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000473727748 532597829 /nfs/dbraw/zinc/59/78/29/532597829.db2.gz YFZDYFHWLMZWFV-UHFFFAOYSA-N 1 0 387.271 2.274 20 0 GEADRO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Br ZINC000473715720 532597908 /nfs/dbraw/zinc/59/79/08/532597908.db2.gz ORODISVZAKTGDW-AWEZNQCLSA-N 1 0 382.302 2.075 20 0 GEADRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000262684232 532598598 /nfs/dbraw/zinc/59/85/98/532598598.db2.gz XGEXVFYHABSYNG-SGMGOOAPSA-N 1 0 395.301 2.149 20 0 GEADRO COc1ncc([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1Cl ZINC000284527251 532599180 /nfs/dbraw/zinc/59/91/80/532599180.db2.gz WXFUCAXOPBITJW-PWSUYJOCSA-N 1 0 390.914 2.291 20 0 GEADRO C[NH+](C)CCOCCNC(=O)Nc1cccc(F)c1I ZINC000473767409 532599370 /nfs/dbraw/zinc/59/93/70/532599370.db2.gz HAAYIJBFWHRNRK-UHFFFAOYSA-N 1 0 395.216 2.130 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262749978 532599278 /nfs/dbraw/zinc/59/92/78/532599278.db2.gz GCDYOGGVRPIUPU-DYEKYZERSA-N 1 0 376.906 2.173 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000262766764 532599656 /nfs/dbraw/zinc/59/96/56/532599656.db2.gz LBXKWJUHAHKYLR-GZMMTYOYSA-N 1 0 397.722 2.387 20 0 GEADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000262756125 532599889 /nfs/dbraw/zinc/59/98/89/532599889.db2.gz HOMVHRBIENPSJP-JTQLQIEISA-N 1 0 397.444 2.111 20 0 GEADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000262766757 532599929 /nfs/dbraw/zinc/59/99/29/532599929.db2.gz LBLPQRNBEKFGLZ-ZDUSSCGKSA-N 1 0 390.933 2.361 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccsc3C(F)(F)F)CC2)C1=O ZINC000529383491 532600253 /nfs/dbraw/zinc/60/02/53/532600253.db2.gz DKIDPJSYZYBLPQ-LBPRGKRZSA-N 1 0 375.416 2.192 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC000529389612 532600564 /nfs/dbraw/zinc/60/05/64/532600564.db2.gz XRFDRSVSDCTTCU-MRXNPFEDSA-N 1 0 384.307 2.347 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000262775153 532600759 /nfs/dbraw/zinc/60/07/59/532600759.db2.gz XDLKDDDGZFTZFZ-ONGXEEELSA-N 1 0 377.869 2.185 20 0 GEADRO C[C@@H](CN1CCOCC1)[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000434704917 532600813 /nfs/dbraw/zinc/60/08/13/532600813.db2.gz ZWAUSJLZYQAORA-AWEZNQCLSA-N 1 0 384.318 2.430 20 0 GEADRO O=CN1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000297656729 532600988 /nfs/dbraw/zinc/60/09/88/532600988.db2.gz NONYUTDHSYKYMJ-ZDUSSCGKSA-N 1 0 391.693 2.006 20 0 GEADRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000655843976 532601066 /nfs/dbraw/zinc/60/10/66/532601066.db2.gz WRTDQVXWWHWVHG-AWEZNQCLSA-N 1 0 387.285 2.410 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000632322760 532601722 /nfs/dbraw/zinc/60/17/22/532601722.db2.gz XDDSUGAGEJDHGS-UHFFFAOYSA-N 1 0 379.448 2.144 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262810226 532601867 /nfs/dbraw/zinc/60/18/67/532601867.db2.gz FVBGXARVEHWGFP-XEZPLFJOSA-N 1 0 383.945 2.448 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cn1nnnc1-c1ccsc1 ZINC000566254628 532602070 /nfs/dbraw/zinc/60/20/70/532602070.db2.gz ZCRRUYHHMNEKLT-UHFFFAOYSA-N 1 0 376.511 2.054 20 0 GEADRO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2Br)C[C@@H]1c1cnn(C)c1 ZINC000284572886 532602324 /nfs/dbraw/zinc/60/23/24/532602324.db2.gz KMAAVMRALNCQDC-CABCVRRESA-N 1 0 377.286 2.144 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262816602 532602530 /nfs/dbraw/zinc/60/25/30/532602530.db2.gz PFGKPNXGFXQJOY-RRFJBIMHSA-N 1 0 384.567 2.465 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655910010 532602584 /nfs/dbraw/zinc/60/25/84/532602584.db2.gz KBPORWNFWDBJOB-NSHDSACASA-N 1 0 384.196 2.359 20 0 GEADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655909981 532602609 /nfs/dbraw/zinc/60/26/09/532602609.db2.gz IYLHGSYTBVVLOL-NSHDSACASA-N 1 0 384.196 2.489 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262816605 532602843 /nfs/dbraw/zinc/60/28/43/532602843.db2.gz PFGKPNXGFXQJOY-ZNMIVQPWSA-N 1 0 384.567 2.465 20 0 GEADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCCO1 ZINC000434796836 532602983 /nfs/dbraw/zinc/60/29/83/532602983.db2.gz WANQQQZILPBNSM-ZIAGYGMSSA-N 1 0 375.238 2.310 20 0 GEADRO [NH3+]C[C@H](NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)C(F)(F)F ZINC000655926158 532603120 /nfs/dbraw/zinc/60/31/20/532603120.db2.gz CJDLDOQNTKWUGM-WDEREUQCSA-N 1 0 381.196 2.484 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1)C(F)(F)F ZINC000655916977 532604160 /nfs/dbraw/zinc/60/41/60/532604160.db2.gz LSCYQTSGNUEELV-JTQLQIEISA-N 1 0 377.754 2.121 20 0 GEADRO C[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)Oc1ccccc1Br ZINC000655921087 532604263 /nfs/dbraw/zinc/60/42/63/532604263.db2.gz OBPNPPXTSAAQKP-KCJUWKMLSA-N 1 0 384.196 2.405 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nc2ccc(Br)cn2n1 ZINC000655916212 532604437 /nfs/dbraw/zinc/60/44/37/532604437.db2.gz TTXJEMMDGWBQFT-STQMWFEESA-N 1 0 378.274 2.239 20 0 GEADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000376242698 532604467 /nfs/dbraw/zinc/60/44/67/532604467.db2.gz WVZGCWRLANUVEA-KZULUSFZSA-N 1 0 382.291 2.277 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)C[C@H]2CSCC[NH2+]2)c(F)cc1F ZINC000434863842 532604979 /nfs/dbraw/zinc/60/49/79/532604979.db2.gz DYISXZQCTOCHID-JTQLQIEISA-N 1 0 393.481 2.150 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1nccs1 ZINC000284592989 532605010 /nfs/dbraw/zinc/60/50/10/532605010.db2.gz XBXBFYZAITXZGJ-CHWSQXEVSA-N 1 0 380.539 2.186 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)s2)CC1 ZINC000262878063 532605093 /nfs/dbraw/zinc/60/50/93/532605093.db2.gz NCJHZZBBHWGTAJ-KGLIPLIRSA-N 1 0 385.555 2.039 20 0 GEADRO COc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)ccc1Br ZINC000474039682 532605202 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O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(F)ccc1Br ZINC000435221750 532610899 /nfs/dbraw/zinc/61/08/99/532610899.db2.gz CXNZYQMMRQTZRS-QWHCGFSZSA-N 1 0 377.279 2.493 20 0 GEADRO O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)Nc1ccc(I)cc1 ZINC000435235779 532610920 /nfs/dbraw/zinc/61/09/20/532610920.db2.gz OTEYVHDWSLJWRM-AWEZNQCLSA-N 1 0 385.249 2.056 20 0 GEADRO COc1cc(Br)c(CNC2(CCO)CC[NH+](C)CC2)c(OC)c1 ZINC000566476152 532610937 /nfs/dbraw/zinc/61/09/37/532610937.db2.gz UTUYYFZPDJWPSM-UHFFFAOYSA-N 1 0 387.318 2.403 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632442224 532610952 /nfs/dbraw/zinc/61/09/52/532610952.db2.gz WWHARQKNMPCBEH-UHFFFAOYSA-N 1 0 382.433 2.243 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cccc(I)c1 ZINC000435225749 532611080 /nfs/dbraw/zinc/61/10/80/532611080.db2.gz KVSKJQZGRYZWJZ-LBPRGKRZSA-N 1 0 394.278 2.006 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C[C@H](C)O)C1CC1 ZINC000656277163 532611261 /nfs/dbraw/zinc/61/12/61/532611261.db2.gz 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C[NH+]1CCN(CCCS(=O)(=O)N2CCCc3cc(F)cc(Cl)c32)CC1 ZINC000632455143 532612486 /nfs/dbraw/zinc/61/24/86/532612486.db2.gz VHUFQERHDCXKFA-UHFFFAOYSA-N 1 0 389.924 2.199 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000656304112 532612724 /nfs/dbraw/zinc/61/27/24/532612724.db2.gz QTDBENUFALPSOG-SLEUVZQESA-N 1 0 382.302 2.083 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cnc(C)n2C)c1 ZINC000566497125 532613574 /nfs/dbraw/zinc/61/35/74/532613574.db2.gz SIHDRIHHHKFJIS-UHFFFAOYSA-N 1 0 395.301 2.409 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000298080740 532622718 /nfs/dbraw/zinc/62/27/18/532622718.db2.gz SVXIMKWRXTWJGP-BBRMVZONSA-N 1 0 396.329 2.206 20 0 GEADRO CC1(C)NC(=O)N(CC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)C1=O ZINC000284807771 532623153 /nfs/dbraw/zinc/62/31/53/532623153.db2.gz PBQVENLNWRKBGW-CYBMUJFWSA-N 1 0 381.274 2.215 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376685880 532624624 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C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)Cc2ncsc2Br)C1 ZINC000632594270 532627514 /nfs/dbraw/zinc/62/75/14/532627514.db2.gz NQIYKEWCNKUXKX-JTQLQIEISA-N 1 0 382.349 2.057 20 0 GEADRO CCOCC[C@H](O)C[NH2+]Cc1c(Br)cncc1Br ZINC000566851342 532628075 /nfs/dbraw/zinc/62/80/75/532628075.db2.gz SZDHPWNELPDRAV-VIFPVBQESA-N 1 0 382.096 2.484 20 0 GEADRO O[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@@H]1CCOC1 ZINC000474803159 532628969 /nfs/dbraw/zinc/62/89/69/532628969.db2.gz YKHDYHOQOJFCCZ-PELKAZGASA-N 1 0 383.176 2.056 20 0 GEADRO CO[C@H](CS(=O)(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[C@@H]1CCOC1 ZINC000656736488 532629797 /nfs/dbraw/zinc/62/97/97/532629797.db2.gz ASPKLEJKOINKDT-CZUORRHYSA-N 1 0 376.906 2.195 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)NCc2ccc3c[nH+]cn3c2)s1 ZINC000298172821 532631297 /nfs/dbraw/zinc/63/12/97/532631297.db2.gz CKMLYMBLINLIKU-UHFFFAOYSA-N 1 0 378.479 2.189 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2COC)CC1 ZINC000263661335 532632126 /nfs/dbraw/zinc/63/21/26/532632126.db2.gz 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Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000531851505 532638731 /nfs/dbraw/zinc/63/87/31/532638731.db2.gz ICFUPZDXQVSATO-LBPRGKRZSA-N 1 0 385.917 2.309 20 0 GEADRO Cc1ccc(C[N@@H+]2CC[C@H](NS(=O)(=O)CCOCC(F)(F)F)C2)cc1 ZINC000632707324 532639551 /nfs/dbraw/zinc/63/95/51/532639551.db2.gz LEWZAIQAHTYEFR-HNNXBMFYSA-N 1 0 380.432 2.068 20 0 GEADRO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cn1 ZINC000475239479 532640588 /nfs/dbraw/zinc/64/05/88/532640588.db2.gz GZTFKGPBTGEDAN-ZFWWWQNUSA-N 1 0 399.333 2.297 20 0 GEADRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)Cn1cc(Br)ccc1=O ZINC000377080802 532640658 /nfs/dbraw/zinc/64/06/58/532640658.db2.gz VQDRCBGPKPKYKG-AWEZNQCLSA-N 1 0 392.253 2.056 20 0 GEADRO CC[N@H+](CCNC(=O)CN(C)C(=O)c1ccc(Br)s1)C1CC1 ZINC000263791282 532641844 /nfs/dbraw/zinc/64/18/44/532641844.db2.gz XJEFFFVKFALYQE-UHFFFAOYSA-N 1 0 388.331 2.183 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1CCOC[C@@H]1C ZINC000531959791 532642090 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C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)cc3F)C[C@H]21 ZINC000378461912 532695463 /nfs/dbraw/zinc/69/54/63/532695463.db2.gz LWZVYZJMRVVQRF-IINYFYTJSA-N 1 0 384.249 2.079 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000299100507 532695877 /nfs/dbraw/zinc/69/58/77/532695877.db2.gz OWULNCLLOFWIFT-ZDUSSCGKSA-N 1 0 387.933 2.100 20 0 GEADRO O=C(Cn1cc(CN2CCC[C@@H]2CO)nn1)Nc1ccc(Cl)cc1Cl ZINC000640764181 532697426 /nfs/dbraw/zinc/69/74/26/532697426.db2.gz NUEUKMZOCAUCPV-CYBMUJFWSA-N 1 0 384.267 2.180 20 0 GEADRO [NH3+][C@@H](c1cn(CC(=O)Nc2ccc(Br)cc2)nn1)C1CCOCC1 ZINC000640754607 532697478 /nfs/dbraw/zinc/69/74/78/532697478.db2.gz MLVYHYHWZZRDHG-MRXNPFEDSA-N 1 0 394.273 2.106 20 0 GEADRO [NH3+][C@H](c1cn(CC(=O)N2CCCCCC2)nn1)c1ccc(Br)cc1 ZINC000640756469 532697683 /nfs/dbraw/zinc/69/76/83/532697683.db2.gz ZUCWMBKXWSDGLW-KRWDZBQOSA-N 1 0 392.301 2.491 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(Br)c(F)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439587433 532697963 /nfs/dbraw/zinc/69/79/63/532697963.db2.gz LCBULVCDSAPGKF-LBPRGKRZSA-N 1 0 384.249 2.222 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cscc2Br)CC1 ZINC000285682274 532698278 /nfs/dbraw/zinc/69/82/78/532698278.db2.gz RCPPEMBTFGQKPF-UHFFFAOYSA-N 1 0 388.331 2.137 20 0 GEADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000385129241 532703050 /nfs/dbraw/zinc/70/30/50/532703050.db2.gz GUWKIZKZTCHKQB-UHFFFAOYSA-N 1 0 398.120 2.322 20 0 GEADRO CC(C)[C@@H]1CN(Cc2nnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000488035791 532698657 /nfs/dbraw/zinc/69/86/57/532698657.db2.gz XTKHODGBTSSYOK-HNNXBMFYSA-N 1 0 379.306 2.197 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439605762 532699047 /nfs/dbraw/zinc/69/90/47/532699047.db2.gz BJUSXRHOMGWKPA-CQSZACIVSA-N 1 0 380.286 2.391 20 0 GEADRO CN1C(=O)CSC12CCN(CC(=O)Nc1ccccc1Br)CC2 ZINC000378624315 532700204 /nfs/dbraw/zinc/70/02/04/532700204.db2.gz OVAWSNYVKUCTOQ-UHFFFAOYSA-N 1 0 398.326 2.385 20 0 GEADRO C[N@H+](CCCO)C1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000604388961 532700236 /nfs/dbraw/zinc/70/02/36/532700236.db2.gz MSSUCDSJFYIECG-UHFFFAOYSA-N 1 0 381.318 2.375 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000265054190 532687152 /nfs/dbraw/zinc/68/71/52/532687152.db2.gz UMPWIDFGMSQABB-CYBMUJFWSA-N 1 0 385.302 2.443 20 0 GEADRO Fc1cccnc1N1CC[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638764004 532687464 /nfs/dbraw/zinc/68/74/64/532687464.db2.gz NTLNAKYCRYYRTD-CYBMUJFWSA-N 1 0 391.248 2.394 20 0 GEADRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000265042804 532687883 /nfs/dbraw/zinc/68/78/83/532687883.db2.gz IQHWKUBRHAQTCW-NSHDSACASA-N 1 0 384.221 2.105 20 0 GEADRO COc1nsc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1Br ZINC000639084713 532688598 /nfs/dbraw/zinc/68/85/98/532688598.db2.gz QJIIOMRKYBNSOL-SNVBAGLBSA-N 1 0 378.336 2.191 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)CCOc2ccccc2Br)CC1 ZINC000298991567 532688839 /nfs/dbraw/zinc/68/88/39/532688839.db2.gz IGNKNYNBMTTYBS-UHFFFAOYSA-N 1 0 385.302 2.399 20 0 GEADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cnn3cc(Br)cnc23)C1(C)C ZINC000639087354 532689256 /nfs/dbraw/zinc/68/92/56/532689256.db2.gz ZDDLAYGEYIBOQM-XJKSGUPXSA-N 1 0 383.290 2.148 20 0 GEADRO Cc1ncc(S(=O)(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000378286899 532689315 /nfs/dbraw/zinc/68/93/15/532689315.db2.gz UIEHNIHYTMEMCS-KBPBESRZSA-N 1 0 387.571 2.352 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378311876 532689398 /nfs/dbraw/zinc/68/93/98/532689398.db2.gz QZERDNPSFLQKFS-CJNGLKHVSA-N 1 0 396.329 2.253 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000639083766 532689750 /nfs/dbraw/zinc/68/97/50/532689750.db2.gz JMONYISSWVEMGH-JSGCOSHPSA-N 1 0 386.480 2.310 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000439363812 532689782 /nfs/dbraw/zinc/68/97/82/532689782.db2.gz XZLJTXRHYAZMTH-SNVBAGLBSA-N 1 0 375.803 2.433 20 0 GEADRO O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)Nc1ccc(Br)cc1 ZINC000298999234 532690187 /nfs/dbraw/zinc/69/01/87/532690187.db2.gz SQJSSOCQXWFKKW-HUUCEWRRSA-N 1 0 395.301 2.314 20 0 GEADRO CN(C)C(=O)CN1CCC(NC(=O)N[C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000569655848 532702844 /nfs/dbraw/zinc/70/28/44/532702844.db2.gz FPNJZAAPFLMJSE-CYBMUJFWSA-N 1 0 384.933 2.241 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000285555297 532690839 /nfs/dbraw/zinc/69/08/39/532690839.db2.gz REFJVPIDOLLKNX-HIFRSBDPSA-N 1 0 380.539 2.403 20 0 GEADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@@H](O)c1ccc(Br)cc1 ZINC000265272024 532691135 /nfs/dbraw/zinc/69/11/35/532691135.db2.gz UWJJEVQOJMGENK-DLBZAZTESA-N 1 0 390.318 2.217 20 0 GEADRO Cc1cc(C(=O)Cn2cc(CSCC[NH3+])nn2)c(C)n1CC(F)(F)F ZINC000603175477 532691169 /nfs/dbraw/zinc/69/11/69/532691169.db2.gz FBEXFHAHQPIJOT-UHFFFAOYSA-N 1 0 375.420 2.334 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)[C@@H]1n1cccn1 ZINC000639213679 532691251 /nfs/dbraw/zinc/69/12/51/532691251.db2.gz OKBYDCQNGAMRKV-ZNMIVQPWSA-N 1 0 391.273 2.197 20 0 GEADRO Cc1ccsc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000538757321 532718112 /nfs/dbraw/zinc/71/81/12/532718112.db2.gz GMWSHQAGXZOFCP-SJORKVTESA-N 1 0 380.535 2.218 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(I)cc1 ZINC000489039628 532703383 /nfs/dbraw/zinc/70/33/83/532703383.db2.gz MFNKUJOJCDFLMS-IAQYHMDHSA-N 1 0 384.261 2.433 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000606908799 532703950 /nfs/dbraw/zinc/70/39/50/532703950.db2.gz YYMHTNREOWLMFA-UKRRQHHQSA-N 1 0 385.555 2.052 20 0 GEADRO C[N@H+](CCOc1ccc(Br)cc1)CCn1nc2ccccn2c1=O ZINC000641976834 532704240 /nfs/dbraw/zinc/70/42/40/532704240.db2.gz YOJNLWZOYWBODC-UHFFFAOYSA-N 1 0 391.269 2.269 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[C@H]1C ZINC000607128273 532704678 /nfs/dbraw/zinc/70/46/78/532704678.db2.gz XUSXKDBLRPHCKZ-VXGBXAGGSA-N 1 0 393.962 2.011 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)c1ncc(Br)cc1Br ZINC000569712241 532705124 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381.112 2.274 20 0 GEADRO COCCn1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)cn1 ZINC000608055204 532711125 /nfs/dbraw/zinc/71/11/25/532711125.db2.gz BLHNKZNMPYYZCN-UHFFFAOYSA-N 1 0 395.301 2.202 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000643895407 532711152 /nfs/dbraw/zinc/71/11/52/532711152.db2.gz YUWIFRDNJCUBGY-YNZJMPHRSA-N 1 0 382.295 2.481 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)C1 ZINC000608047878 532711498 /nfs/dbraw/zinc/71/14/98/532711498.db2.gz FCOLGSIVVBJYPD-ZFWWWQNUSA-N 1 0 387.571 2.298 20 0 GEADRO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CN(C)CCO2)n1C ZINC000643997182 532712075 /nfs/dbraw/zinc/71/20/75/532712075.db2.gz NSCGPMDYYCEMDZ-CQSZACIVSA-N 1 0 393.285 2.427 20 0 GEADRO CCn1nc2c(cc1=O)C[N@@H+](CCOc1cccc(Br)c1)CC2 ZINC000608096261 532712656 /nfs/dbraw/zinc/71/26/56/532712656.db2.gz MVWFIVDUCWCYBW-UHFFFAOYSA-N 1 0 378.270 2.463 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)Cc1nccn1C ZINC000285843483 532713746 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GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N(CCO)Cc1ccc(Br)s1 ZINC000612984735 532724599 /nfs/dbraw/zinc/72/45/99/532724599.db2.gz IXGPLRIZJFFBBF-GFCCVEGCSA-N 1 0 388.331 2.157 20 0 GEADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000440863466 532724726 /nfs/dbraw/zinc/72/47/26/532724726.db2.gz QILNWNPYBRNIMT-JSGCOSHPSA-N 1 0 376.906 2.304 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000440863913 532724768 /nfs/dbraw/zinc/72/47/68/532724768.db2.gz QJDVXKUHYJJQDK-BPLDGKMQSA-N 1 0 388.917 2.304 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000440862847 532724845 /nfs/dbraw/zinc/72/48/45/532724845.db2.gz PELONEGXRCNTEC-MRVPVSSYSA-N 1 0 387.221 2.356 20 0 GEADRO COc1cc(OC)c(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1Br ZINC000646477968 532724858 /nfs/dbraw/zinc/72/48/58/532724858.db2.gz YARSSCVHXWWKAF-FGWVZKOKSA-N 1 0 397.269 2.220 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])c(Cl)c1Cl ZINC000440864305 532725142 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CC1(C)OCC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000576799263 532729543 /nfs/dbraw/zinc/72/95/43/532729543.db2.gz MFNFMXQHDCMUAB-ZDUSSCGKSA-N 1 0 399.289 2.370 20 0 GEADRO CN(C(=O)CN1C(=S)N=NC1c1cccs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286115243 532729875 /nfs/dbraw/zinc/72/98/75/532729875.db2.gz GHKIGJKFJCLBFP-FUNVUKJBSA-N 1 0 377.539 2.379 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000577055262 532730628 /nfs/dbraw/zinc/73/06/28/532730628.db2.gz XIQKIUAAPCWJLH-BFHYXJOUSA-N 1 0 394.313 2.436 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000500003071 532731024 /nfs/dbraw/zinc/73/10/24/532731024.db2.gz DZKKKAJUDCEIOA-UHFFFAOYSA-N 1 0 393.285 2.440 20 0 GEADRO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1Br ZINC000673796700 532731643 /nfs/dbraw/zinc/73/16/43/532731643.db2.gz AVDAZJRQHLBWPH-MRXNPFEDSA-N 1 0 394.313 2.312 20 0 GEADRO O=C(NCCc1ccccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000266980929 532731663 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CCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000540723100 532743421 /nfs/dbraw/zinc/74/34/21/532743421.db2.gz GBLCTJFMNRLMQN-ZNMIVQPWSA-N 1 0 384.567 2.389 20 0 GEADRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCO1 ZINC000540707759 532743588 /nfs/dbraw/zinc/74/35/88/532743588.db2.gz NGCQMXFJEWNQCE-HOCLYGCPSA-N 1 0 388.555 2.062 20 0 GEADRO O=S(=O)(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000443236539 532743769 /nfs/dbraw/zinc/74/37/69/532743769.db2.gz AJERDHHMMKVTML-SFHVURJKSA-N 1 0 380.897 2.255 20 0 GEADRO Cn1ncc(NC2CC[NH+](Cc3ccccn3)CC2)c(Br)c1=O ZINC000301228109 532744642 /nfs/dbraw/zinc/74/46/42/532744642.db2.gz HGCIWIYGBNWTGK-UHFFFAOYSA-N 1 0 378.274 2.014 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C[C@H]1[NH+](C)C ZINC000503236633 532744858 /nfs/dbraw/zinc/74/48/58/532744858.db2.gz OKHKQHYJPGUBGW-CVEARBPZSA-N 1 0 375.604 2.255 20 0 GEADRO Cc1ncc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000411048349 532746308 /nfs/dbraw/zinc/74/63/08/532746308.db2.gz WQCZYYIEAKPYCA-UHFFFAOYSA-N 1 0 380.539 2.062 20 0 GEADRO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503410661 532747071 /nfs/dbraw/zinc/74/70/71/532747071.db2.gz XUTSNAOHZMVBLK-LBPRGKRZSA-N 1 0 383.286 2.306 20 0 GEADRO COc1ccccc1[C@H](CNc1cnn(C)c(=O)c1Br)[NH+](C)C ZINC000301258831 532747181 /nfs/dbraw/zinc/74/71/81/532747181.db2.gz UOYGHNLRIZNIQG-ZDUSSCGKSA-N 1 0 381.274 2.266 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)N2CC[NH+](C(C)(C)CO)CC2)ccc1Br ZINC000673895173 532733649 /nfs/dbraw/zinc/73/36/49/532733649.db2.gz JOPOXHMKWFAWGP-AWEZNQCLSA-N 1 0 398.345 2.473 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)NC[C@@H](O)c2c(F)cccc2Cl)CCSC1 ZINC000267138008 532734190 /nfs/dbraw/zinc/73/41/90/532734190.db2.gz DVOQVLIJDIMFCM-CJNGLKHVSA-N 1 0 375.897 2.249 20 0 GEADRO Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000501127691 532736938 /nfs/dbraw/zinc/73/69/38/532736938.db2.gz IZJWMIGRHUFFST-GOEBONIOSA-N 1 0 379.551 2.272 20 0 GEADRO CCC(=O)N1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000674909003 532737402 /nfs/dbraw/zinc/73/74/02/532737402.db2.gz GCURBRZZQXHFQO-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(F)cccc3Br)C2)CC1 ZINC000267198428 532737459 /nfs/dbraw/zinc/73/74/59/532737459.db2.gz DLPDEBRGZXMXFT-ZDUSSCGKSA-N 1 0 384.293 2.440 20 0 GEADRO Cn1cc(CCC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000578499304 532737970 /nfs/dbraw/zinc/73/79/70/532737970.db2.gz IHGWNOWUMKJMGX-HNNXBMFYSA-N 1 0 386.265 2.284 20 0 GEADRO O=C(CCn1cc(Br)cn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614525617 532738773 /nfs/dbraw/zinc/73/87/73/532738773.db2.gz HJTMSGNUQOJZMZ-MRXNPFEDSA-N 1 0 377.286 2.426 20 0 GEADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1 ZINC000578692827 532739229 /nfs/dbraw/zinc/73/92/29/532739229.db2.gz IBFKWSSBEWRBGQ-UHFFFAOYSA-N 1 0 381.885 2.396 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000614514974 532739372 /nfs/dbraw/zinc/73/93/72/532739372.db2.gz QZWCCFBXKCQTLH-YESZJQIVSA-N 1 0 378.314 2.059 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc2cc(Br)sc2[nH]1 ZINC000614507043 532739845 /nfs/dbraw/zinc/73/98/45/532739845.db2.gz LGJGJECFFHJGEQ-NSHDSACASA-N 1 0 383.315 2.112 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C1CC[NH+](CCO)CC1 ZINC000501203146 532739963 /nfs/dbraw/zinc/73/99/63/532739963.db2.gz KPSNZLYZWMWNLX-INIZCTEOSA-N 1 0 385.302 2.052 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)Cn1cccn1 ZINC000501251925 532740165 /nfs/dbraw/zinc/74/01/65/532740165.db2.gz WGBBZAGWSYBRHY-GFCCVEGCSA-N 1 0 398.248 2.413 20 0 GEADRO O=C(COc1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267365819 532740777 /nfs/dbraw/zinc/74/07/77/532740777.db2.gz MGYPHLJQPATBGD-AWEZNQCLSA-N 1 0 383.286 2.009 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410464538 532741060 /nfs/dbraw/zinc/74/10/60/532741060.db2.gz DMLYMWIFHXUOKG-INIZCTEOSA-N 1 0 396.329 2.269 20 0 GEADRO Cc1ccc2nc(CSCC(=O)NC[C@@]3([NH+](C)C)CCSC3)cn2c1 ZINC000267361190 532741196 /nfs/dbraw/zinc/74/11/96/532741196.db2.gz WKJVCDSWQBKWGJ-SFHVURJKSA-N 1 0 378.567 2.429 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000506737721 532754683 /nfs/dbraw/zinc/75/46/83/532754683.db2.gz KGXQBQLRGDOZRS-ZIAGYGMSSA-N 1 0 383.334 2.397 20 0 GEADRO COc1cc(CO)cc(I)c1OCC[C@@H]1CC[NH2+]C1 ZINC000581543273 532756956 /nfs/dbraw/zinc/75/69/56/532756956.db2.gz ZJGWUKSGKIPSPG-JTQLQIEISA-N 1 0 377.222 2.171 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000581536663 532757218 /nfs/dbraw/zinc/75/72/18/532757218.db2.gz QGUJBDJALSDRGA-UHFFFAOYSA-N 1 0 394.298 3.009 20 0 GEADRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(Br)ncc1Cl ZINC000286651221 532759764 /nfs/dbraw/zinc/75/97/64/532759764.db2.gz DQPUKRPCFFBNGC-QWRGUYRKSA-N 1 0 388.693 2.433 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000582605131 532760194 /nfs/dbraw/zinc/76/01/94/532760194.db2.gz CNVVEGVDOAOLJM-ZIAGYGMSSA-N 1 0 394.313 2.450 20 0 GEADRO C[C@](CO)([NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccc(O)c1 ZINC000451040602 532760916 /nfs/dbraw/zinc/76/09/16/532760916.db2.gz RZVSJVLZEVMBDA-FUHWJXTLSA-N 1 0 396.281 2.392 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286674399 532761440 /nfs/dbraw/zinc/76/14/40/532761440.db2.gz KWORVUCIGDDRKO-SWLSCSKDSA-N 1 0 386.901 2.374 20 0 GEADRO C[C@H]1C[NH+](CCCCNc2ncnc3c2c(Br)nn3C)C[C@H](C)O1 ZINC000268328731 532761644 /nfs/dbraw/zinc/76/16/44/532761644.db2.gz PJEIGWQBNLNZHV-RYUDHWBXSA-N 1 0 397.321 2.427 20 0 GEADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000583032185 532763400 /nfs/dbraw/zinc/76/34/00/532763400.db2.gz DZMXLKIUHTULTB-CYBMUJFWSA-N 1 0 380.901 2.112 20 0 GEADRO CCC[C@@](C)([NH3+])C(=O)NCCOc1ccc(I)cc1 ZINC000582784586 532762153 /nfs/dbraw/zinc/76/21/53/532762153.db2.gz MEKRIPWNXUJFCN-CQSZACIVSA-N 1 0 376.238 2.304 20 0 GEADRO COc1cc(Br)ccc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620484246 532762384 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C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000286506410 532752150 /nfs/dbraw/zinc/75/21/50/532752150.db2.gz NYCQKJDHCAHELW-LRDDRELGSA-N 1 0 386.323 2.451 20 0 GEADRO COCCN1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000581006823 532753456 /nfs/dbraw/zinc/75/34/56/532753456.db2.gz RTNIARMXQYIELK-KBPBESRZSA-N 1 0 377.312 2.434 20 0 GEADRO COC[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)C(C)C ZINC000542526998 532774745 /nfs/dbraw/zinc/77/47/45/532774745.db2.gz XXCIJTKWTKAPFE-ZDUSSCGKSA-N 1 0 376.238 2.490 20 0 GEADRO COc1cc(NC(=O)CC[N@@H+]2CC[C@@](O)(C(F)F)C2)c(OC)cc1Cl ZINC000411796051 532775854 /nfs/dbraw/zinc/77/58/54/532775854.db2.gz KLRGYQIABSUCFA-INIZCTEOSA-N 1 0 378.803 2.388 20 0 GEADRO CCO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411794251 532776012 /nfs/dbraw/zinc/77/60/12/532776012.db2.gz CMTGQSGZVSUGBG-ZIAGYGMSSA-N 1 0 375.238 2.310 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000542658213 532776396 /nfs/dbraw/zinc/77/63/96/532776396.db2.gz ASUZGPPXMGPOBD-UHFFFAOYSA-N 1 0 376.284 2.407 20 0 GEADRO C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000269176671 532776765 /nfs/dbraw/zinc/77/67/65/532776765.db2.gz HICLWTDCLFJXGO-GHMZBOCLSA-N 1 0 388.331 2.087 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CCCSCC1 ZINC000287004894 532778306 /nfs/dbraw/zinc/77/83/06/532778306.db2.gz IWXRGRUYFOMIEV-OAHLLOKOSA-N 1 0 381.567 2.042 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000512898434 532778853 /nfs/dbraw/zinc/77/88/53/532778853.db2.gz CHUPQJNXNQMBEI-FZMZJTMJSA-N 1 0 376.320 2.042 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(Br)ccc1F ZINC000542757924 532778876 /nfs/dbraw/zinc/77/88/76/532778876.db2.gz NLTWRSHZIKAZDE-UHFFFAOYSA-N 1 0 397.310 2.225 20 0 GEADRO CC(C)[C@H]([NH3+])c1cn(CC(=O)Nc2cccc(I)c2)nn1 ZINC000313301430 532779204 /nfs/dbraw/zinc/77/92/04/532779204.db2.gz KTMSJEWHRJWCLI-AWEZNQCLSA-N 1 0 399.236 2.177 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000542759191 532779299 /nfs/dbraw/zinc/77/92/99/532779299.db2.gz TXAGOVTVXMDODI-OAHLLOKOSA-N 1 0 387.571 2.179 20 0 GEADRO Cn1c(Sc2ccc(S(=O)(=O)C(F)F)cc2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000301964561 532763506 /nfs/dbraw/zinc/76/35/06/532763506.db2.gz UAMLHSQELAGRPG-SNVBAGLBSA-N 1 0 388.465 2.430 20 0 GEADRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1nc(C)cs1 ZINC000411509589 532763954 /nfs/dbraw/zinc/76/39/54/532763954.db2.gz DKIIEEIRBINFHJ-AWEZNQCLSA-N 1 0 382.511 2.168 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)C[C@H]1CCCCC1(F)F)N1CC[NH+](C)CC1 ZINC000583065564 532763931 /nfs/dbraw/zinc/76/39/31/532763931.db2.gz LMDVOYRSZHNCEK-HZPDHXFCSA-N 1 0 381.533 2.003 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486442 532764436 /nfs/dbraw/zinc/76/44/36/532764436.db2.gz GJUVVFMKANUNBD-CQSZACIVSA-N 1 0 385.277 2.188 20 0 GEADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000411553651 532765869 /nfs/dbraw/zinc/76/58/69/532765869.db2.gz DMAQLPYWYVIOAP-HZPDHXFCSA-N 1 0 385.555 2.317 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)ccc1Br ZINC000583751380 532766601 /nfs/dbraw/zinc/76/66/01/532766601.db2.gz SKCLMHVIKCEOQY-JKSUJKDBSA-N 1 0 394.313 2.289 20 0 GEADRO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000542212266 532767022 /nfs/dbraw/zinc/76/70/22/532767022.db2.gz KARWDYQKKQGROR-CQSZACIVSA-N 1 0 391.331 2.143 20 0 GEADRO NC(=O)c1c[nH+]ccc1NCc1ccc(Br)cc1N1CCOCC1 ZINC000302146516 532767572 /nfs/dbraw/zinc/76/75/72/532767572.db2.gz JNHBAJBIWBXWPN-UHFFFAOYSA-N 1 0 391.269 2.392 20 0 GEADRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000451625746 532767756 /nfs/dbraw/zinc/76/77/56/532767756.db2.gz XXONKGIISNWPAF-HUUCEWRRSA-N 1 0 387.311 2.194 20 0 GEADRO C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)CS2 ZINC000584524489 532768286 /nfs/dbraw/zinc/76/82/86/532768286.db2.gz IIQBJLSZOBDVEO-RKVPGOIHSA-N 1 0 379.913 2.267 20 0 GEADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000584525052 532768924 /nfs/dbraw/zinc/76/89/24/532768924.db2.gz RYXDJXHZLXJTIQ-BLLLJJGKSA-N 1 0 387.343 2.295 20 0 GEADRO CCCNC(=O)CCC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000411612124 532769642 /nfs/dbraw/zinc/76/96/42/532769642.db2.gz DFOANTIAMIVMEP-UHFFFAOYSA-N 1 0 379.452 2.375 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000411633021 532770921 /nfs/dbraw/zinc/77/09/21/532770921.db2.gz HMTSGZWUVZSKER-GJZGRUSLSA-N 1 0 391.896 2.258 20 0 GEADRO CSc1ccccc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000411643070 532771765 /nfs/dbraw/zinc/77/17/65/532771765.db2.gz ZOLIRSDDVJZDHQ-UONOGXRCSA-N 1 0 385.555 2.187 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000286851028 532771742 /nfs/dbraw/zinc/77/17/42/532771742.db2.gz ALHPOTREUALBIK-VXGBXAGGSA-N 1 0 381.466 2.158 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2cc(Br)cc(F)c21 ZINC000268829096 532772041 /nfs/dbraw/zinc/77/20/41/532772041.db2.gz KSSLAQNKHFOCEE-GFCCVEGCSA-N 1 0 399.308 2.296 20 0 GEADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000411643073 532772579 /nfs/dbraw/zinc/77/25/79/532772579.db2.gz ZOLIRSDDVJZDHQ-ZIAGYGMSSA-N 1 0 385.555 2.187 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccccc1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000302689596 532772670 /nfs/dbraw/zinc/77/26/70/532772670.db2.gz OQTCVMPWRKZEGU-OAHLLOKOSA-N 1 0 384.567 2.380 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000286869194 532772889 /nfs/dbraw/zinc/77/28/89/532772889.db2.gz CYXKOHXJWPHHTC-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)CCC(F)(F)F)c1 ZINC000542472521 532773201 /nfs/dbraw/zinc/77/32/01/532773201.db2.gz SOKLDBWGLQTDFB-MNOVXSKESA-N 1 0 381.420 2.242 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000302769032 532773713 /nfs/dbraw/zinc/77/37/13/532773713.db2.gz ZLFDQKIPFVLAJT-UHFFFAOYSA-N 1 0 387.709 2.242 20 0 GEADRO C[S@](=O)C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000542539112 532774345 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GEADRO CC[C@H](CSC)NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000287174804 532784727 /nfs/dbraw/zinc/78/47/27/532784727.db2.gz SKFNJUKTGQTUIK-OAHLLOKOSA-N 1 0 383.583 2.334 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2C)C[C@@H]1[NH+]1CCCC1 ZINC000287183174 532785338 /nfs/dbraw/zinc/78/53/38/532785338.db2.gz DDAMBSXDRVCMIX-STQMWFEESA-N 1 0 375.947 2.244 20 0 GEADRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000412093143 532785453 /nfs/dbraw/zinc/78/54/53/532785453.db2.gz RORFJBXKEXRPIC-TYNCELHUSA-N 1 0 376.266 2.421 20 0 GEADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)COCc1ccc(Cl)cc1 ZINC000319435381 532785800 /nfs/dbraw/zinc/78/58/00/532785800.db2.gz KOPTYCBHSQWIJG-OAHLLOKOSA-N 1 0 388.693 2.466 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000319724727 532786429 /nfs/dbraw/zinc/78/64/29/532786429.db2.gz VQPQGMNWUQRPIO-HNNXBMFYSA-N 1 0 389.315 2.222 20 0 GEADRO C[N@H+](CCCCNC(=O)c1ccc(-n2cc(Br)cn2)nn1)C1CC1 ZINC000457164284 532788554 /nfs/dbraw/zinc/78/85/54/532788554.db2.gz IOERQLOAMPVKOY-UHFFFAOYSA-N 1 0 393.289 2.029 20 0 GEADRO C[N@H+](CCCCNC(=O)CNC(=O)c1cccc(Br)c1)C1CC1 ZINC000457175737 532788577 /nfs/dbraw/zinc/78/85/77/532788577.db2.gz NYYWZHRRKFUMIY-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000457197893 532788770 /nfs/dbraw/zinc/78/87/70/532788770.db2.gz APVXRCMSLFUPBM-UHFFFAOYSA-N 1 0 388.281 2.165 20 0 GEADRO CC[N@H+](CCNC(=O)Nc1cccc(C(=O)NC)c1Br)C1CC1 ZINC000287272221 532789003 /nfs/dbraw/zinc/78/90/03/532789003.db2.gz DRTMINDESYOQCY-UHFFFAOYSA-N 1 0 383.290 2.415 20 0 GEADRO CN(CCC(F)(F)F)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000550016282 532796839 /nfs/dbraw/zinc/79/68/39/532796839.db2.gz PTHVRAFVKPFFAQ-LBPRGKRZSA-N 1 0 377.432 2.412 20 0 GEADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000269896873 532792743 /nfs/dbraw/zinc/79/27/43/532792743.db2.gz LOOQJVMBEOIGDW-QGZVFWFLSA-N 1 0 387.933 2.208 20 0 GEADRO C[C@H]1[C@@H](NC(=O)N[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCC[N@@H+]1C ZINC000458640834 532793999 /nfs/dbraw/zinc/79/39/99/532793999.db2.gz HYYUGLPOTUNEPR-KSYCFECVSA-N 1 0 397.317 2.456 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)Cn2cc(Br)ccc2=O)c(F)c1 ZINC000412561438 532795850 /nfs/dbraw/zinc/79/58/50/532795850.db2.gz UAKZBKBJYDUEEJ-UHFFFAOYSA-N 1 0 382.233 2.450 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000269307258 532780365 /nfs/dbraw/zinc/78/03/65/532780365.db2.gz ZDQWPKAPWMBAOH-AWEZNQCLSA-N 1 0 391.331 2.103 20 0 GEADRO COC(=O)[C@@H]1CN(C)CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000411917917 532781043 /nfs/dbraw/zinc/78/10/43/532781043.db2.gz ODCCMJKQFCSXQM-GFCCVEGCSA-N 1 0 388.295 2.359 20 0 GEADRO COC(=O)[C@@H]1CN(C)CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000411925413 532781162 /nfs/dbraw/zinc/78/11/62/532781162.db2.gz ZHVVLXMYIKSSBX-GFCCVEGCSA-N 1 0 388.295 2.359 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000554962313 532806798 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CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000555725412 532809568 /nfs/dbraw/zinc/80/95/68/532809568.db2.gz DZMBNGOTTMZUBE-CQSZACIVSA-N 1 0 383.945 2.396 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000287821391 532810249 /nfs/dbraw/zinc/81/02/49/532810249.db2.gz VFNXWXGGCLMOCY-WCQYABFASA-N 1 0 386.823 2.318 20 0 GEADRO Brc1cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)cs1 ZINC000459687632 532797394 /nfs/dbraw/zinc/79/73/94/532797394.db2.gz HCYDRWHYYYVBSQ-UHFFFAOYSA-N 1 0 375.332 2.482 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc(CSc3nccn3C)o2)C[C@H]1[NH+](C)C ZINC000270468889 532798210 /nfs/dbraw/zinc/79/82/10/532798210.db2.gz LPQCCCZJJGFOTF-UKRRQHHQSA-N 1 0 380.539 2.423 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000550818758 532798520 /nfs/dbraw/zinc/79/85/20/532798520.db2.gz BIOQLQIYJRLPNZ-UONOGXRCSA-N 1 0 396.329 2.302 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000461041130 532799495 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Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(CC[NH+]2CCSCC2)cc1 ZINC000288477792 532828564 /nfs/dbraw/zinc/82/85/64/532828564.db2.gz BTWMTRQLGAAAAR-UHFFFAOYSA-N 1 0 380.539 2.121 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ccc(C)nn1 ZINC000414464836 532829513 /nfs/dbraw/zinc/82/95/13/532829513.db2.gz VJYBYNWLECBFSU-CYBMUJFWSA-N 1 0 380.286 2.497 20 0 GEADRO O=C(Nc1ccncc1I)N1CC[NH+](C2CCC2)CC1 ZINC000273692564 532831497 /nfs/dbraw/zinc/83/14/97/532831497.db2.gz HESUDKUCLJCRTN-UHFFFAOYSA-N 1 0 386.237 2.388 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CCC1 ZINC000414553738 532831788 /nfs/dbraw/zinc/83/17/88/532831788.db2.gz JTMBXLDGVZFMAU-UHFFFAOYSA-N 1 0 377.409 2.321 20 0 GEADRO O=C(Nc1ccccc1Br)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414664338 532834284 /nfs/dbraw/zinc/83/42/84/532834284.db2.gz CFNPYFRHGGRIHJ-ZBFHGGJFSA-N 1 0 395.301 2.217 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@H](CN2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000414750042 532834589 /nfs/dbraw/zinc/83/45/89/532834589.db2.gz QKHQQVZPNNOHLV-PBHICJAKSA-N 1 0 396.329 2.020 20 0 GEADRO C[C@@H]1C[C@H](CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000414726846 532834945 /nfs/dbraw/zinc/83/49/45/532834945.db2.gz AOBVGCNSFPJBQA-CHWSQXEVSA-N 1 0 377.963 2.096 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CCCN(C)CC[NH+](C)C)c1 ZINC000288642268 532833581 /nfs/dbraw/zinc/83/35/81/532833581.db2.gz PJBKGSHYNWCKSO-UHFFFAOYSA-N 1 0 389.949 2.047 20 0 GEADRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000331140763 532834059 /nfs/dbraw/zinc/83/40/59/532834059.db2.gz FFPXCHBZSMBOEF-ZFWWWQNUSA-N 1 0 388.249 2.370 20 0 GEADRO C[C@@]1(CO)CCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000331195869 532835670 /nfs/dbraw/zinc/83/56/70/532835670.db2.gz YCZQXNSBMQEWOO-CABCVRRESA-N 1 0 376.316 2.364 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ncc1F ZINC000273868667 532836050 /nfs/dbraw/zinc/83/60/50/532836050.db2.gz NVEVZYQTDWKFSY-NXEZZACHSA-N 1 0 380.283 2.058 20 0 GEADRO [NH3+]CC1CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000414923073 532836080 /nfs/dbraw/zinc/83/60/80/532836080.db2.gz DTAUZBJJYVMFMU-UHFFFAOYSA-N 1 0 397.317 2.488 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414933104 532836170 /nfs/dbraw/zinc/83/61/70/532836170.db2.gz TZCIONVQKCAWGW-QWHCGFSZSA-N 1 0 397.317 2.487 20 0 GEADRO CCOc1cc(CN(CC[NH3+])CCO)cc(Br)c1OC(F)F ZINC000414910624 532836357 /nfs/dbraw/zinc/83/63/57/532836357.db2.gz HTAPPOOSXBMYEG-UHFFFAOYSA-N 1 0 383.233 2.202 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000288732019 532836579 /nfs/dbraw/zinc/83/65/79/532836579.db2.gz BGANOXRNQLRBAU-OAHLLOKOSA-N 1 0 384.322 2.306 20 0 GEADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000331177236 532835050 /nfs/dbraw/zinc/83/50/50/532835050.db2.gz KIJNIKZWYNEQLA-CABCVRRESA-N 1 0 387.933 2.345 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000331186093 532835427 /nfs/dbraw/zinc/83/54/27/532835427.db2.gz NJJXOAYSOXUEPZ-KGLIPLIRSA-N 1 0 394.324 2.382 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccncc3I)[C@@H]2C1 ZINC000273904141 532836604 /nfs/dbraw/zinc/83/66/04/532836604.db2.gz STFHEQHMDBUSLI-GXFFZTMASA-N 1 0 386.237 2.244 20 0 GEADRO COc1ccc(Cl)c(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000415026501 532836815 /nfs/dbraw/zinc/83/68/15/532836815.db2.gz UAPNCUPCULJXNA-ZDUSSCGKSA-N 1 0 380.798 2.306 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@H]1C[NH2+]CCO1 ZINC000415091037 532837897 /nfs/dbraw/zinc/83/78/97/532837897.db2.gz BMQCOGJSOCIAER-MRXNPFEDSA-N 1 0 379.302 2.330 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)cc1Br)C(=O)NC1CC[NH2+]CC1 ZINC000415263734 532839896 /nfs/dbraw/zinc/83/98/96/532839896.db2.gz ADGKSSPLFAZFFR-UHFFFAOYSA-N 1 0 394.191 2.275 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415263103 532840042 /nfs/dbraw/zinc/84/00/42/532840042.db2.gz AOHRDRLAIXKEQR-SSDOTTSWSA-N 1 0 378.629 2.130 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000415279125 532840371 /nfs/dbraw/zinc/84/03/71/532840371.db2.gz HCFIQDPRQOKERK-SNVBAGLBSA-N 1 0 375.803 2.338 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3ccc(Br)cc32)CCCCC1 ZINC000415284668 532840424 /nfs/dbraw/zinc/84/04/24/532840424.db2.gz WEYRVJIWPQQCEU-UHFFFAOYSA-N 1 0 380.286 2.116 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000415284591 532840576 /nfs/dbraw/zinc/84/05/76/532840576.db2.gz QCBPLXZMKINKTF-CYBMUJFWSA-N 1 0 382.302 2.462 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415281176 532840567 /nfs/dbraw/zinc/84/05/67/532840567.db2.gz NCVCRBXYVWKKFH-UHFFFAOYSA-N 1 0 398.301 2.482 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415297669 532840691 /nfs/dbraw/zinc/84/06/91/532840691.db2.gz VQSPPLNPHAUKBU-ZDUSSCGKSA-N 1 0 397.317 2.330 20 0 GEADRO O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415298725 532840726 /nfs/dbraw/zinc/84/07/26/532840726.db2.gz HFIZRCGOVCTYRV-SNVBAGLBSA-N 1 0 394.191 2.275 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Br)nc1C ZINC000288880147 532840774 /nfs/dbraw/zinc/84/07/74/532840774.db2.gz GBVGUJOPUKTZCF-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO c1cc(N2CCOCC2)ncc1-c1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000035425314 204198657 /nfs/dbraw/zinc/19/86/57/204198657.db2.gz KVDGUQKHZDLNPH-KRWDZBQOSA-N 1 0 385.468 2.284 20 0 GEADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2)CC1 ZINC000007719218 204247381 /nfs/dbraw/zinc/24/73/81/204247381.db2.gz ISPTZLSQEBOHOW-UHFFFAOYSA-N 1 0 391.475 2.246 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415295327 532840977 /nfs/dbraw/zinc/84/09/77/532840977.db2.gz HONPUMQNIYOZQK-LLVKDONJSA-N 1 0 376.254 2.361 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC1 ZINC000415296380 532841035 /nfs/dbraw/zinc/84/10/35/532841035.db2.gz CDOLTLXUSLQDKP-UHFFFAOYSA-N 1 0 391.269 2.133 20 0 GEADRO O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415320436 532841089 /nfs/dbraw/zinc/84/10/89/532841089.db2.gz WGKKRQSGMHESNH-SNVBAGLBSA-N 1 0 379.766 2.088 20 0 GEADRO O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415313006 532841243 /nfs/dbraw/zinc/84/12/43/532841243.db2.gz HKPRKXINFBRYEV-VIFPVBQESA-N 1 0 394.191 2.275 20 0 GEADRO O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1ccccc1C[NH+]1CCCC1 ZINC000021962502 204771923 /nfs/dbraw/zinc/77/19/23/204771923.db2.gz NKQLKBYRYAQYAR-UHFFFAOYSA-N 1 0 395.459 2.057 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000415324471 532841528 /nfs/dbraw/zinc/84/15/28/532841528.db2.gz DWPCFHRSRXXREU-GFCCVEGCSA-N 1 0 398.301 2.291 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000040146756 205057923 /nfs/dbraw/zinc/05/79/23/205057923.db2.gz IUJYPGNBOWFSTM-IAGOWNOFSA-N 1 0 395.569 2.425 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415332776 532841853 /nfs/dbraw/zinc/84/18/53/532841853.db2.gz OBPHFSGYZGOCSR-WDEREUQCSA-N 1 0 382.258 2.309 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415333851 532841919 /nfs/dbraw/zinc/84/19/19/532841919.db2.gz PISWIWZYXSIYBG-JTQLQIEISA-N 1 0 375.803 2.038 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)Nc1ccc(Br)cc1 ZINC000274135584 532842015 /nfs/dbraw/zinc/84/20/15/532842015.db2.gz CLFGFJDEXDVLSF-HNNXBMFYSA-N 1 0 395.301 2.314 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415328832 532842047 /nfs/dbraw/zinc/84/20/47/532842047.db2.gz JUIBDYMTXHEYEP-SNVBAGLBSA-N 1 0 388.693 2.465 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415346875 532842159 /nfs/dbraw/zinc/84/21/59/532842159.db2.gz CJJXDBZDDOAPTR-JTQLQIEISA-N 1 0 395.223 2.493 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000415352100 532842198 /nfs/dbraw/zinc/84/21/98/532842198.db2.gz OZHOIERNPQALSP-BDAKNGLRSA-N 1 0 390.228 2.170 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000331681889 532842203 /nfs/dbraw/zinc/84/22/03/532842203.db2.gz TZYSPUOVDJIGFV-ZBFHGGJFSA-N 1 0 382.302 2.456 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000415351028 532842242 /nfs/dbraw/zinc/84/22/42/532842242.db2.gz NASOJQVFTSNQGH-RKDXNWHRSA-N 1 0 390.228 2.170 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000415351160 532842343 /nfs/dbraw/zinc/84/23/43/532842343.db2.gz HLYMNNIWZRUGTP-SECBINFHSA-N 1 0 379.766 2.027 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415348839 532842346 /nfs/dbraw/zinc/84/23/46/532842346.db2.gz LAASOLWBWHSNTR-WDEREUQCSA-N 1 0 386.265 2.339 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415353463 532842576 /nfs/dbraw/zinc/84/25/76/532842576.db2.gz QWPNIEAQUBBQQP-VXGBXAGGSA-N 1 0 398.301 2.209 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000415358492 532842649 /nfs/dbraw/zinc/84/26/49/532842649.db2.gz QKFQZVFJZIHIGB-UHFFFAOYSA-N 1 0 384.274 2.172 20 0 GEADRO C[N@H+](CCn1cc(Br)cn1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000288949973 532842764 /nfs/dbraw/zinc/84/27/64/532842764.db2.gz XMOKHWNJLOHOIB-AWEZNQCLSA-N 1 0 393.285 2.499 20 0 GEADRO COC(=O)Cc1csc(N(C)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)n1 ZINC000331697920 532842887 /nfs/dbraw/zinc/84/28/87/532842887.db2.gz ZNOLHZJWGGLBDO-CQSZACIVSA-N 1 0 383.539 2.039 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415378763 532842951 /nfs/dbraw/zinc/84/29/51/532842951.db2.gz NTNXASDDIWNGPB-VIFPVBQESA-N 1 0 394.191 2.275 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000007686434 206221508 /nfs/dbraw/zinc/22/15/08/206221508.db2.gz LBGLIGNBRAAZOD-LJQANCHMSA-N 1 0 379.460 2.482 20 0 GEADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415377594 532843214 /nfs/dbraw/zinc/84/32/14/532843214.db2.gz FUWUZKNLXCSREG-UHFFFAOYSA-N 1 0 384.267 2.030 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2c(F)ccc(C)c2Br)CC1 ZINC000415386922 532843393 /nfs/dbraw/zinc/84/33/93/532843393.db2.gz BQKWCMGEFUVSPP-UHFFFAOYSA-N 1 0 386.265 2.293 20 0 GEADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415385074 532843661 /nfs/dbraw/zinc/84/36/61/532843661.db2.gz UPXWSEAOWZMKGX-UHFFFAOYSA-N 1 0 393.079 2.004 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000415385923 532843670 /nfs/dbraw/zinc/84/36/70/532843670.db2.gz WCFRRONAIWFMST-SNVBAGLBSA-N 1 0 379.766 2.088 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415388095 532843672 /nfs/dbraw/zinc/84/36/72/532843672.db2.gz CRQDPHDINXKUID-SNVBAGLBSA-N 1 0 375.803 2.038 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000415394692 532843779 /nfs/dbraw/zinc/84/37/79/532843779.db2.gz LPUBYXLKWHHYEY-VIFPVBQESA-N 1 0 375.803 2.466 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000415392758 532843863 /nfs/dbraw/zinc/84/38/63/532843863.db2.gz YIWBTDSSYPWFRD-LLVKDONJSA-N 1 0 394.313 2.462 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)[C@H]1CC[NH2+]C1 ZINC000415396756 532843911 /nfs/dbraw/zinc/84/39/11/532843911.db2.gz UYQAVJCOBNMWEO-LBPRGKRZSA-N 1 0 395.301 2.261 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415397431 532843999 /nfs/dbraw/zinc/84/39/99/532843999.db2.gz RDESDFYJJDUOSY-VIFPVBQESA-N 1 0 379.766 2.293 20 0 GEADRO CCCN(C(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@@H]1CC[NH2+]C1 ZINC000415395906 532844167 /nfs/dbraw/zinc/84/41/67/532844167.db2.gz SVYVEEQCYHEEDA-CYBMUJFWSA-N 1 0 398.276 2.078 20 0 GEADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415392383 532844172 /nfs/dbraw/zinc/84/41/72/532844172.db2.gz XVISNZHGMVUWKT-UHFFFAOYSA-N 1 0 382.180 2.260 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1Cl ZINC000415406635 532844378 /nfs/dbraw/zinc/84/43/78/532844378.db2.gz OTFOOIKAYVFGJF-LBPRGKRZSA-N 1 0 391.299 2.044 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415403631 532844469 /nfs/dbraw/zinc/84/44/69/532844469.db2.gz ABYWENYQCMAWKR-VIFPVBQESA-N 1 0 390.228 2.172 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000415405763 532844504 /nfs/dbraw/zinc/84/45/04/532844504.db2.gz WEJZQMFGXWSAAS-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO CCCN(C(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@H]1CC[NH2+]C1 ZINC000415403148 532844551 /nfs/dbraw/zinc/84/45/51/532844551.db2.gz LCPDNWIXXQVKBY-JTQLQIEISA-N 1 0 390.228 2.266 20 0 GEADRO O=C(Nc1cccc(Br)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331824308 532844671 /nfs/dbraw/zinc/84/46/71/532844671.db2.gz QRIRFXSTUMXYEW-ZDUSSCGKSA-N 1 0 395.301 2.125 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415428905 532844843 /nfs/dbraw/zinc/84/48/43/532844843.db2.gz PLSQQDGKOWCTHV-VIFPVBQESA-N 1 0 378.217 2.155 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415424576 532845168 /nfs/dbraw/zinc/84/51/68/532845168.db2.gz IJHLKEYDAGZTNV-VIFPVBQESA-N 1 0 378.217 2.155 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415430863 532845182 /nfs/dbraw/zinc/84/51/82/532845182.db2.gz TZRLSLXTVBROTB-AWEZNQCLSA-N 1 0 383.290 2.115 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC[C@H]1[NH3+] ZINC000415440795 532845381 /nfs/dbraw/zinc/84/53/81/532845381.db2.gz FLBJTONIFDFOFX-ZWNOBZJWSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC[C@H]1[NH3+] ZINC000415439386 532845421 /nfs/dbraw/zinc/84/54/21/532845421.db2.gz LQRTZCHVIRMUAK-GXSJLCMTSA-N 1 0 375.803 2.118 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415435633 532845619 /nfs/dbraw/zinc/84/56/19/532845619.db2.gz JLLPBFZFJVNGOY-GHMZBOCLSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[C@H]1[NH3+] ZINC000415434590 532845654 /nfs/dbraw/zinc/84/56/54/532845654.db2.gz IPPBDWXUNZJFMF-GXFFZTMASA-N 1 0 391.269 2.132 20 0 GEADRO C[C@@H](CNC(=O)c1nc2ccc(Br)cn2n1)[NH+]1CCC(C)CC1 ZINC000331867798 532846046 /nfs/dbraw/zinc/84/60/46/532846046.db2.gz CFBNEIDCWBHJOO-LBPRGKRZSA-N 1 0 380.290 2.342 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415445840 532846127 /nfs/dbraw/zinc/84/61/27/532846127.db2.gz SSXXBAMKLLMZGJ-BDAKNGLRSA-N 1 0 390.228 2.252 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1Br ZINC000415465966 532846447 /nfs/dbraw/zinc/84/64/47/532846447.db2.gz SMMJTALLTZEZIK-AWEZNQCLSA-N 1 0 398.301 2.420 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000415455690 532846630 /nfs/dbraw/zinc/84/66/30/532846630.db2.gz PQZKVNNIZZQVJG-LBPRGKRZSA-N 1 0 375.416 2.441 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415478162 532846729 /nfs/dbraw/zinc/84/67/29/532846729.db2.gz CNTUUUAGZLCZSO-UHFFFAOYSA-N 1 0 376.682 2.484 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)/C=C/C[NH+](C)C)C2=O)ccc1Br ZINC000274292217 532846807 /nfs/dbraw/zinc/84/68/07/532846807.db2.gz MYTLCZIDADPEQR-MBVDDHJVSA-N 1 0 380.286 2.097 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415483361 532846905 /nfs/dbraw/zinc/84/69/05/532846905.db2.gz LZTNXWVVQSFEIX-UHFFFAOYSA-N 1 0 386.290 2.148 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1Br ZINC000331987856 532847376 /nfs/dbraw/zinc/84/73/76/532847376.db2.gz DLLHRFPAXVCZPH-GXTWGEPZSA-N 1 0 380.286 2.249 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415494748 532847433 /nfs/dbraw/zinc/84/74/33/532847433.db2.gz IGHBNZPRKKUQOJ-JTQLQIEISA-N 1 0 383.905 2.374 20 0 GEADRO [NH3+]CC1(NC(=O)Nc2cc(Br)cnc2-n2cccn2)CCCC1 ZINC000415481052 532847095 /nfs/dbraw/zinc/84/70/95/532847095.db2.gz JZCLOGDDBHVPPY-UHFFFAOYSA-N 1 0 379.262 2.423 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415487922 532847238 /nfs/dbraw/zinc/84/72/38/532847238.db2.gz HIJMQKQUMJQHII-JTQLQIEISA-N 1 0 375.803 2.133 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415506897 532848509 /nfs/dbraw/zinc/84/85/09/532848509.db2.gz UDIKNHLYUIVWNQ-SECBINFHSA-N 1 0 384.303 2.945 20 0 GEADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415517904 532848365 /nfs/dbraw/zinc/84/83/65/532848365.db2.gz LSWYDTMNQROYDN-SNVBAGLBSA-N 1 0 376.404 2.091 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415516982 532848505 /nfs/dbraw/zinc/84/85/05/532848505.db2.gz ICDPKPYFUAESDB-UHFFFAOYSA-N 1 0 380.645 2.296 20 0 GEADRO CN(CC[NH3+])C(=O)Nc1nc2ccc(I)cc2s1 ZINC000415526238 532848817 /nfs/dbraw/zinc/84/88/17/532848817.db2.gz GBFYWNSORPYZEA-UHFFFAOYSA-N 1 0 376.223 2.323 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)C1CC1 ZINC000415530082 532848850 /nfs/dbraw/zinc/84/88/50/532848850.db2.gz CFQIJFWHTGCPNK-NSHDSACASA-N 1 0 379.766 2.073 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC000415542835 532849493 /nfs/dbraw/zinc/84/94/93/532849493.db2.gz VXZRQWLIQAENQH-NSHDSACASA-N 1 0 394.191 2.260 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000415534405 532849585 /nfs/dbraw/zinc/84/95/85/532849585.db2.gz BFFLLHWAIGRLMF-AWEZNQCLSA-N 1 0 384.274 2.028 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000332178109 532849668 /nfs/dbraw/zinc/84/96/68/532849668.db2.gz NZPIZPCDFOKHCO-ZKYQVNSYSA-N 1 0 386.905 2.303 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415556084 532849727 /nfs/dbraw/zinc/84/97/27/532849727.db2.gz CEQJUBDJMQTEEN-JQWIXIFHSA-N 1 0 391.269 2.132 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415555160 532849752 /nfs/dbraw/zinc/84/97/52/532849752.db2.gz BMIHNVAEZURJSE-UHFFFAOYSA-N 1 0 393.079 2.005 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)[C@@H](C)C[NH2+]1 ZINC000415553573 532849934 /nfs/dbraw/zinc/84/99/34/532849934.db2.gz GNKQQLZPKVRQIX-MNOVXSKESA-N 1 0 391.269 2.145 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)N[C@H](C)C[NH3+])c(Cl)cc1Cl ZINC000274420585 532849967 /nfs/dbraw/zinc/84/99/67/532849967.db2.gz LCLFQQFTPMIWGC-SECBINFHSA-N 1 0 382.313 2.005 20 0 GEADRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000274413881 532850143 /nfs/dbraw/zinc/85/01/43/532850143.db2.gz JMYRXZNXRDCYPH-ZETCQYMHSA-N 1 0 379.096 2.408 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000415551594 532850050 /nfs/dbraw/zinc/85/00/50/532850050.db2.gz OVNKHWRFKUIUDJ-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1Br ZINC000415564217 532850472 /nfs/dbraw/zinc/85/04/72/532850472.db2.gz CBTMSHRKJBLUTG-UHFFFAOYSA-N 1 0 398.301 2.292 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[NH2+]CC1 ZINC000415565130 532850502 /nfs/dbraw/zinc/85/05/02/532850502.db2.gz CXRGTKRDUGRLLS-UHFFFAOYSA-N 1 0 375.803 2.386 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)[C@H](C)C[NH2+]1 ZINC000415575293 532850784 /nfs/dbraw/zinc/85/07/84/532850784.db2.gz XDBISGOJUHRMSZ-GHMZBOCLSA-N 1 0 391.269 2.145 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000415576862 532851072 /nfs/dbraw/zinc/85/10/72/532851072.db2.gz YMPGABVNLSVHLP-NWDGAFQWSA-N 1 0 398.301 2.384 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000332250473 532850833 /nfs/dbraw/zinc/85/08/33/532850833.db2.gz BQQARZQFPCLKEL-XHDPSFHLSA-N 1 0 382.302 2.442 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415581590 532850891 /nfs/dbraw/zinc/85/08/91/532850891.db2.gz NNYUUCKYZYQJFQ-QGZVFWFLSA-N 1 0 382.302 2.456 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415645548 532851617 /nfs/dbraw/zinc/85/16/17/532851617.db2.gz BPPYKRRPDQQHOZ-MFKMUULPSA-N 1 0 391.269 2.050 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415632368 532851636 /nfs/dbraw/zinc/85/16/36/532851636.db2.gz GLCSYZGBCFHLKY-NSHDSACASA-N 1 0 383.290 2.401 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Br ZINC000332296763 532851654 /nfs/dbraw/zinc/85/16/54/532851654.db2.gz KJCUYONMNCYBOT-QWHCGFSZSA-N 1 0 380.286 2.072 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415635079 532851659 /nfs/dbraw/zinc/85/16/59/532851659.db2.gz AZJLBJHVVQXUAG-NEPJUHHUSA-N 1 0 384.274 2.091 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415639878 532851799 /nfs/dbraw/zinc/85/17/99/532851799.db2.gz DDMCABDFPXPZBS-MNOVXSKESA-N 1 0 391.269 2.322 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415636635 532851914 /nfs/dbraw/zinc/85/19/14/532851914.db2.gz GNNMHUBTGLYSNH-HTQZYQBOSA-N 1 0 376.201 2.052 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415645546 532851951 /nfs/dbraw/zinc/85/19/51/532851951.db2.gz BPPYKRRPDQQHOZ-GWCFXTLKSA-N 1 0 391.269 2.050 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000332296233 532852022 /nfs/dbraw/zinc/85/20/22/532852022.db2.gz FIDKXRIFPNXGBQ-TUKIKUTGSA-N 1 0 380.286 2.282 20 0 GEADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000415635285 532851776 /nfs/dbraw/zinc/85/17/76/532851776.db2.gz CLXDMNQFDAZTFU-LLVKDONJSA-N 1 0 386.239 2.359 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000332345830 532852222 /nfs/dbraw/zinc/85/22/22/532852222.db2.gz NWLXEYQHUOMFSX-FPMFFAJLSA-N 1 0 380.286 2.282 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415652895 532852312 /nfs/dbraw/zinc/85/23/12/532852312.db2.gz RKLHYNWKQJDMCH-BDAKNGLRSA-N 1 0 376.201 2.052 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415665494 532852551 /nfs/dbraw/zinc/85/25/51/532852551.db2.gz DKTBJLULYXONGR-JQWIXIFHSA-N 1 0 384.274 2.043 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415657762 532852560 /nfs/dbraw/zinc/85/25/60/532852560.db2.gz QOSQIVXFOOQHEY-ONGXEEELSA-N 1 0 375.416 2.236 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415661065 532852637 /nfs/dbraw/zinc/85/26/37/532852637.db2.gz WYNWBJDTTIYSNF-NWDGAFQWSA-N 1 0 384.274 2.172 20 0 GEADRO CSC1(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC000332360184 532852812 /nfs/dbraw/zinc/85/28/12/532852812.db2.gz WHRDZQPAHRUDTN-HNNXBMFYSA-N 1 0 383.480 2.303 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[NH2+]1 ZINC000415667882 532853173 /nfs/dbraw/zinc/85/31/73/532853173.db2.gz YUIVMPXOADCMFF-MNOVXSKESA-N 1 0 391.269 2.193 20 0 GEADRO O=C(NCc1c(Br)cncc1Br)N1CCC[NH2+]CC1 ZINC000332370835 532853361 /nfs/dbraw/zinc/85/33/61/532853361.db2.gz YGSFOJVDIKBEKF-UHFFFAOYSA-N 1 0 392.095 2.112 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)Cn2cc(Br)cn2)cc1O ZINC000289375084 532853419 /nfs/dbraw/zinc/85/34/19/532853419.db2.gz BQQVTNDMVWONEH-OCCSQVGLSA-N 1 0 398.301 2.189 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1Br ZINC000415680395 532853462 /nfs/dbraw/zinc/85/34/62/532853462.db2.gz RBOMSQVWCCWNGT-NSHDSACASA-N 1 0 386.265 2.423 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[NH2+]1 ZINC000415683339 532853581 /nfs/dbraw/zinc/85/35/81/532853581.db2.gz SNBFEKTZCSPOJU-SFYZADRCSA-N 1 0 392.656 2.437 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415683206 532853713 /nfs/dbraw/zinc/85/37/13/532853713.db2.gz CINCVYGVHDVUPR-CQSZACIVSA-N 1 0 392.656 2.377 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415683204 532853730 /nfs/dbraw/zinc/85/37/30/532853730.db2.gz CINCVYGVHDVUPR-AWEZNQCLSA-N 1 0 392.656 2.377 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000415677340 532853257 /nfs/dbraw/zinc/85/32/57/532853257.db2.gz OJWMDHJJOYATPT-JTQLQIEISA-N 1 0 378.420 2.081 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415694651 532854153 /nfs/dbraw/zinc/85/41/53/532854153.db2.gz VUUVDOHBXHNWTR-LLVKDONJSA-N 1 0 386.265 2.423 20 0 GEADRO COCC1(CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC[NH2+]CC1 ZINC000415700053 532853899 /nfs/dbraw/zinc/85/38/99/532853899.db2.gz BLNOJJNWCQOZSU-UHFFFAOYSA-N 1 0 392.258 2.203 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415705504 532854025 /nfs/dbraw/zinc/85/40/25/532854025.db2.gz LFKHYOONPYQBEE-QMMMGPOBSA-N 1 0 375.376 2.963 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)c1Br ZINC000415704065 532854052 /nfs/dbraw/zinc/85/40/52/532854052.db2.gz GYYWOIPACGFKIY-ZDUSSCGKSA-N 1 0 383.290 2.448 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1Br ZINC000415712410 532854424 /nfs/dbraw/zinc/85/44/24/532854424.db2.gz UVEATNKYXPZUEJ-ZWNOBZJWSA-N 1 0 383.290 2.400 20 0 GEADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000332398873 532854482 /nfs/dbraw/zinc/85/44/82/532854482.db2.gz ZFCNFGIMUQNNRR-UHFFFAOYSA-N 1 0 392.656 2.344 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415711281 532854594 /nfs/dbraw/zinc/85/45/94/532854594.db2.gz SCWBLCVODBQWQJ-YUMQZZPRSA-N 1 0 375.376 2.961 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415705503 532854247 /nfs/dbraw/zinc/85/42/47/532854247.db2.gz LFKHYOONPYQBEE-MRVPVSSYSA-N 1 0 375.376 2.963 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000332381024 532854329 /nfs/dbraw/zinc/85/43/29/532854329.db2.gz VARLOEDDULGLLU-OUCADQQQSA-N 1 0 380.286 2.282 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]C1(CO)CCOCC1 ZINC000274706529 532854865 /nfs/dbraw/zinc/85/48/65/532854865.db2.gz ZJGHIPQZKXWXSL-UHFFFAOYSA-N 1 0 394.107 2.425 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415728125 532855028 /nfs/dbraw/zinc/85/50/28/532855028.db2.gz RJTXTEGUMYMOQY-VIFPVBQESA-N 1 0 386.246 2.118 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)NCC[NH2+]CCOC ZINC000415746645 532855460 /nfs/dbraw/zinc/85/54/60/532855460.db2.gz NVGHSFNASOWAJL-UHFFFAOYSA-N 1 0 378.242 2.344 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415744638 532855468 /nfs/dbraw/zinc/85/54/68/532855468.db2.gz QOWVTEUUPHIUMP-SNVBAGLBSA-N 1 0 386.265 2.111 20 0 GEADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415741359 532855665 /nfs/dbraw/zinc/85/56/65/532855665.db2.gz IIDPJIFWOZIUDU-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415754314 532856106 /nfs/dbraw/zinc/85/61/06/532856106.db2.gz IAXKYRXWORJNOV-PHIMTYICSA-N 1 0 386.279 2.399 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415763374 532856360 /nfs/dbraw/zinc/85/63/60/532856360.db2.gz XLJQJIYCNOLWOB-NWDGAFQWSA-N 1 0 378.274 2.836 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415768159 532856421 /nfs/dbraw/zinc/85/64/21/532856421.db2.gz VGWLWUKZGFRESU-LBPRGKRZSA-N 1 0 398.276 2.375 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000415766272 532856507 /nfs/dbraw/zinc/85/65/07/532856507.db2.gz WRWBMWUVFDHJHR-LLVKDONJSA-N 1 0 386.290 2.418 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cc1Cl ZINC000415786189 532857271 /nfs/dbraw/zinc/85/72/71/532857271.db2.gz JPANXHPMFQBATD-SNVBAGLBSA-N 1 0 384.210 2.429 20 0 GEADRO C[C@@H](CNC(=O)c1nc2ccccc2cc1Br)N1CC[NH+](C)CC1 ZINC000289514263 532857475 /nfs/dbraw/zinc/85/74/75/532857475.db2.gz OYNFOPXGHUIYNH-ZDUSSCGKSA-N 1 0 391.313 2.363 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415773083 532857070 /nfs/dbraw/zinc/85/70/70/532857070.db2.gz LMYDJFZHXNHPPN-ONGXEEELSA-N 1 0 389.237 2.419 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415777393 532857081 /nfs/dbraw/zinc/85/70/81/532857081.db2.gz ZFOUFOKLQQQOFO-VIFPVBQESA-N 1 0 399.179 2.404 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415798020 532857756 /nfs/dbraw/zinc/85/77/56/532857756.db2.gz AWMNUSFLZRMSLE-WDEREUQCSA-N 1 0 384.274 2.030 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)C1CC([NH3+])C1 ZINC000415792847 532857894 /nfs/dbraw/zinc/85/78/94/532857894.db2.gz SRRFVHRNWRQOSR-UHFFFAOYSA-N 1 0 378.629 2.128 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415798017 532857958 /nfs/dbraw/zinc/85/79/58/532857958.db2.gz AWMNUSFLZRMSLE-GHMZBOCLSA-N 1 0 384.274 2.030 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415803689 532858182 /nfs/dbraw/zinc/85/81/82/532858182.db2.gz HJALGHZKMQBHKL-PWSUYJOCSA-N 1 0 384.274 2.030 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC[N@@H+]1C ZINC000332616676 532858377 /nfs/dbraw/zinc/85/83/77/532858377.db2.gz DBPICKOSQJAUME-MGPQQGTHSA-N 1 0 394.313 2.401 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415829045 532859441 /nfs/dbraw/zinc/85/94/41/532859441.db2.gz DSQJEMNQWKMZAA-LLVKDONJSA-N 1 0 396.207 2.346 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)C1CCCC1 ZINC000415820912 532858961 /nfs/dbraw/zinc/85/89/61/532858961.db2.gz DGMNZYFXHQIPMN-CYBMUJFWSA-N 1 0 390.228 2.300 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc(C)c1Br ZINC000415831229 532859310 /nfs/dbraw/zinc/85/93/10/532859310.db2.gz HKGITKUKASJPJO-JTQLQIEISA-N 1 0 396.207 2.400 20 0 GEADRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(Cl)c1 ZINC000415836971 532859636 /nfs/dbraw/zinc/85/96/36/532859636.db2.gz MZAQYUQKERTXDO-LBPRGKRZSA-N 1 0 381.782 2.462 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000332656986 532859699 /nfs/dbraw/zinc/85/96/99/532859699.db2.gz WAPIJLBOOPGAEJ-CABCVRRESA-N 1 0 386.901 2.374 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000332656992 532859748 /nfs/dbraw/zinc/85/97/48/532859748.db2.gz WAPIJLBOOPGAEJ-HUUCEWRRSA-N 1 0 386.901 2.374 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C[C@H]1C[NH3+] ZINC000415838349 532859822 /nfs/dbraw/zinc/85/98/22/532859822.db2.gz DACBPTFDIANGBD-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000274904995 532859832 /nfs/dbraw/zinc/85/98/32/532859832.db2.gz VXABRSMQANPZHF-ZDUSSCGKSA-N 1 0 383.539 2.010 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@@H]1C[NH3+] ZINC000415835508 532859950 /nfs/dbraw/zinc/85/99/50/532859950.db2.gz BHYAACCFZPZBOD-ZJUUUORDSA-N 1 0 375.803 2.323 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1Br ZINC000415847378 532860063 /nfs/dbraw/zinc/86/00/63/532860063.db2.gz WRVORMQTBAAXSZ-NSHDSACASA-N 1 0 396.207 2.400 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C[C@H]1C[NH3+] ZINC000415846874 532860137 /nfs/dbraw/zinc/86/01/37/532860137.db2.gz KODHWWNIHXNBRK-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc(C)c1Br ZINC000415848057 532860313 /nfs/dbraw/zinc/86/03/13/532860313.db2.gz LLVWCCNRRUITFG-GWCFXTLKSA-N 1 0 382.302 2.448 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[C@H]1C[NH3+] ZINC000415853258 532860499 /nfs/dbraw/zinc/86/04/99/532860499.db2.gz SWXWEPHSLMDMMY-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(Br)c1F)C1CCCC1 ZINC000415850927 532860691 /nfs/dbraw/zinc/86/06/91/532860691.db2.gz YAUOXODCQDWOBO-GFCCVEGCSA-N 1 0 390.228 2.300 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415864643 532861063 /nfs/dbraw/zinc/86/10/63/532861063.db2.gz AFHVYGCMTKKBCQ-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO O=C(Nc1cccc(Cl)c1OCC(F)F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415868934 532860995 /nfs/dbraw/zinc/86/09/95/532860995.db2.gz MNUYPOPVVQPJIY-JTQLQIEISA-N 1 0 375.803 2.181 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415863273 532861080 /nfs/dbraw/zinc/86/10/80/532861080.db2.gz AXMIZJAOYJAFDV-JBLDHEPKSA-N 1 0 384.249 2.031 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(Cl)c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415868605 532861095 /nfs/dbraw/zinc/86/10/95/532861095.db2.gz MDWJHIGLADRDMU-MRVPVSSYSA-N 1 0 392.656 2.438 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415864644 532861167 /nfs/dbraw/zinc/86/11/67/532861167.db2.gz AFHVYGCMTKKBCQ-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1Br ZINC000415871564 532861582 /nfs/dbraw/zinc/86/15/82/532861582.db2.gz QLVISVYJNIKDFQ-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO O=C(Nc1c[nH]cc(Br)c1=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000332812818 532861648 /nfs/dbraw/zinc/86/16/48/532861648.db2.gz WGVOGGRVOJQIOJ-NSHDSACASA-N 1 0 386.315 2.293 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415872992 532861688 /nfs/dbraw/zinc/86/16/88/532861688.db2.gz TUCUMMLNSZCXFL-JHJVBQTASA-N 1 0 380.286 2.200 20 0 GEADRO O=C(Nc1cc(F)ccc1SCC(F)F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415875055 532861729 /nfs/dbraw/zinc/86/17/29/532861729.db2.gz YEZSWPPRESEZHY-NSHDSACASA-N 1 0 375.416 2.380 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415882520 532861968 /nfs/dbraw/zinc/86/19/68/532861968.db2.gz WQFWMSVQHOVOSD-GRYCIOLGSA-N 1 0 398.276 2.339 20 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/nfs/dbraw/zinc/86/25/21/532862521.db2.gz FZPMTAZLMKSHIG-NSHDSACASA-N 1 0 378.361 2.230 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(F)(F)F ZINC000416005933 532863041 /nfs/dbraw/zinc/86/30/41/532863041.db2.gz KLBYRNRAKDAAHE-CABZTGNLSA-N 1 0 378.782 2.024 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289757964 532864561 /nfs/dbraw/zinc/86/45/61/532864561.db2.gz MWZPYAVHAMSMRZ-RYUDHWBXSA-N 1 0 376.507 2.067 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Cc2cc(Cl)c(Br)cc2F)CC1 ZINC000416159860 532865500 /nfs/dbraw/zinc/86/55/00/532865500.db2.gz JKAUFBRTKUVVMX-UHFFFAOYSA-N 1 0 393.684 2.357 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000333151556 532865361 /nfs/dbraw/zinc/86/53/61/532865361.db2.gz FUQZNMRKUKAQNG-BLLLJJGKSA-N 1 0 396.333 2.341 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000333166407 532865585 /nfs/dbraw/zinc/86/55/85/532865585.db2.gz MVIRYJSWYCWIKU-OCCSQVGLSA-N 1 0 388.917 2.462 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C[C@@H](CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000289976628 532869233 /nfs/dbraw/zinc/86/92/33/532869233.db2.gz QINGMMZXASHTEB-WMLDXEAASA-N 1 0 380.330 2.449 20 0 GEADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)NC[C@H]2C[NH2+]CCO2)C3)cs1 ZINC000333489308 532869527 /nfs/dbraw/zinc/86/95/27/532869527.db2.gz GNGCUVOXOXIXIK-CYBMUJFWSA-N 1 0 378.523 2.236 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000333482909 532869367 /nfs/dbraw/zinc/86/93/67/532869367.db2.gz CHJTYCXCWORJOR-DYVFJYSZSA-N 1 0 388.917 2.256 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)CC1 ZINC000333491082 532869374 /nfs/dbraw/zinc/86/93/74/532869374.db2.gz DHPQYZUYUSZXRB-ARFHVFGLSA-N 1 0 380.501 2.360 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000416299804 532869379 /nfs/dbraw/zinc/86/93/79/532869379.db2.gz GUDOFTWFSOXJKP-GFCCVEGCSA-N 1 0 380.286 2.012 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000416297669 532869791 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COC(=O)c1cn(CC[NH2+][C@@H](C)Cc2ccc(F)cc2Br)nn1 ZINC000290036643 532870813 /nfs/dbraw/zinc/87/08/13/532870813.db2.gz FMFAHXWTOGHRQM-JTQLQIEISA-N 1 0 385.237 2.187 20 0 GEADRO C[C@@H]1CN(C(=O)CCc2cccc(F)c2Br)[C@@H](C)C[N@@H+]1CCO ZINC000416316843 532870817 /nfs/dbraw/zinc/87/08/17/532870817.db2.gz WEZGAWGRGRUAMF-OLZOCXBDSA-N 1 0 387.293 2.434 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416318920 532871165 /nfs/dbraw/zinc/87/11/65/532871165.db2.gz YCONNKMJRPDLTM-UONOGXRCSA-N 1 0 399.329 2.304 20 0 GEADRO O=C(c1cnc2ccc(Br)cc2c1O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000333566392 532871209 /nfs/dbraw/zinc/87/12/09/532871209.db2.gz SNCSZTOLSCDVCR-GFCCVEGCSA-N 1 0 376.254 2.211 20 0 GEADRO C[C@@H]1CC2(CN1Cc1nnnn1-c1ccccc1Br)CC[NH2+]CC2 ZINC000333575170 532871249 /nfs/dbraw/zinc/87/12/49/532871249.db2.gz MZCHIUXBMPFPON-CYBMUJFWSA-N 1 0 391.317 2.389 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000333659765 532871584 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Brc1c(CN2CC[NH+](C[C@H]3CCOC3)CC2)nc2ccccn12 ZINC000290101201 532872803 /nfs/dbraw/zinc/87/28/03/532872803.db2.gz RZIGBVIUCKSCAC-CQSZACIVSA-N 1 0 379.302 2.251 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c2ccsc2S1(=O)=O ZINC000333789051 532873364 /nfs/dbraw/zinc/87/33/64/532873364.db2.gz MFEGWAAZNWPMSE-SIGLWIIPSA-N 1 0 383.539 2.124 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1O ZINC000290230355 532875731 /nfs/dbraw/zinc/87/57/31/532875731.db2.gz YGGSGFVPTQJJFW-CQSZACIVSA-N 1 0 382.507 2.405 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1Cl ZINC000416438496 532877171 /nfs/dbraw/zinc/87/71/71/532877171.db2.gz KBLSQFRDJXKPFD-RISCZKNCSA-N 1 0 394.946 2.023 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000416434129 532876903 /nfs/dbraw/zinc/87/69/03/532876903.db2.gz SNZHIZOBQBMDQR-JSGCOSHPSA-N 1 0 386.901 2.231 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3cnccc32)C[C@H]1[NH+]1CCCC1 ZINC000275525030 532877763 /nfs/dbraw/zinc/87/77/63/532877763.db2.gz WHPXLQAPYOIZBQ-IAGOWNOFSA-N 1 0 377.535 2.435 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc3cccnc32)C[C@H]1[NH+]1CCCC1 ZINC000275528231 532877851 /nfs/dbraw/zinc/87/78/51/532877851.db2.gz WURDFNJFYABMHC-CVEARBPZSA-N 1 0 377.535 2.435 20 0 GEADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290335541 532878465 /nfs/dbraw/zinc/87/84/65/532878465.db2.gz HRMDHZSUPQEODI-OLZOCXBDSA-N 1 0 375.270 2.316 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CCCC[C@@H]2C[NH3+])cc1OC ZINC000417445458 532879972 /nfs/dbraw/zinc/87/99/72/532879972.db2.gz HAOHGVHUCFZFAX-GFCCVEGCSA-N 1 0 386.290 2.489 20 0 GEADRO C[C@@H](NC(=O)NCC1([NH3+])CCC1)c1cc2c(cc1Br)OCCO2 ZINC000417187170 532878835 /nfs/dbraw/zinc/87/88/35/532878835.db2.gz WFOXGFCCWBKPHP-SNVBAGLBSA-N 1 0 384.274 2.462 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N(C)CC3(CO)CC3)nc12 ZINC000275590206 532879294 /nfs/dbraw/zinc/87/92/94/532879294.db2.gz GFPJVKYOPAZMGR-UHFFFAOYSA-N 1 0 381.274 2.319 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000417447008 532879729 /nfs/dbraw/zinc/87/97/29/532879729.db2.gz NXZARSGZPNFCHO-MFKMUULPSA-N 1 0 386.290 2.264 20 0 GEADRO COc1cc(Br)c(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000417446436 532879836 /nfs/dbraw/zinc/87/98/36/532879836.db2.gz LITCKHJFWANVQG-LLVKDONJSA-N 1 0 386.290 2.265 20 0 GEADRO COc1cc(Br)c(CNC(=O)N(C)C2CC[NH2+]CC2)cc1OC ZINC000417447617 532879884 /nfs/dbraw/zinc/87/98/84/532879884.db2.gz QOZYHRCZKWQNAT-UHFFFAOYSA-N 1 0 386.290 2.360 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1)[NH+](C)C ZINC000275504492 532877464 /nfs/dbraw/zinc/87/74/64/532877464.db2.gz SNXUDRQZGDCOFE-NSHDSACASA-N 1 0 380.901 2.392 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000275689770 532881567 /nfs/dbraw/zinc/88/15/67/532881567.db2.gz QNYXVPYWTAABKU-XKOZXHHJSA-N 1 0 389.315 2.060 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000419529997 532882059 /nfs/dbraw/zinc/88/20/59/532882059.db2.gz YPRLSDHKYMZQPC-HUUCEWRRSA-N 1 0 396.329 2.229 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000275715636 532882055 /nfs/dbraw/zinc/88/20/55/532882055.db2.gz HNRLRKVMWVTPCK-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000419568976 532882179 /nfs/dbraw/zinc/88/21/79/532882179.db2.gz LUFQXUHYYVCYNT-DDFXLWFNSA-N 1 0 384.307 2.236 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000419722581 532882641 /nfs/dbraw/zinc/88/26/41/532882641.db2.gz DVXFNRHLYSGWSB-BIMULSAOSA-N 1 0 386.279 2.271 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)ccc1Br ZINC000419883032 532883144 /nfs/dbraw/zinc/88/31/44/532883144.db2.gz CYZUDRDLNCJBLH-HOCLYGCPSA-N 1 0 394.313 2.289 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000419883852 532883243 /nfs/dbraw/zinc/88/32/43/532883243.db2.gz FDZXTMGRYHXIMM-NEPJUHHUSA-N 1 0 388.295 2.087 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000420457806 532883842 /nfs/dbraw/zinc/88/38/42/532883842.db2.gz IGAZKVAIXAPBJB-ZDUSSCGKSA-N 1 0 395.294 2.263 20 0 GEADRO Brc1ccn2cc(CN3CC[C@@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000290401346 532880170 /nfs/dbraw/zinc/88/01/70/532880170.db2.gz KLOYKTVIXUWJRP-AWEZNQCLSA-N 1 0 379.302 2.251 20 0 GEADRO Brc1ccn2cc(CN3CC[C@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000290401348 532880263 /nfs/dbraw/zinc/88/02/63/532880263.db2.gz KLOYKTVIXUWJRP-CQSZACIVSA-N 1 0 379.302 2.251 20 0 GEADRO COCC[NH2+]CCNC(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000417584719 532880274 /nfs/dbraw/zinc/88/02/74/532880274.db2.gz YJSGOOBXXQJBJQ-LBPRGKRZSA-N 1 0 390.347 2.465 20 0 GEADRO COc1cc(F)c(Br)cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000417580165 532880389 /nfs/dbraw/zinc/88/03/89/532880389.db2.gz DQRRGAVQLQVKRK-UHFFFAOYSA-N 1 0 390.253 2.441 20 0 GEADRO Brc1ccn2cc(CN3CCN(CC[NH+]4CCCC4)CC3)nc2c1 ZINC000290428401 532880434 /nfs/dbraw/zinc/88/04/34/532880434.db2.gz MUVVVADTJPYQNW-UHFFFAOYSA-N 1 0 392.345 2.310 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000418469490 532881270 /nfs/dbraw/zinc/88/12/70/532881270.db2.gz PZVWMIQHWPAQJZ-HUUCEWRRSA-N 1 0 397.317 2.149 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418465426 532881319 /nfs/dbraw/zinc/88/13/19/532881319.db2.gz GJHUJFSTVQDVME-UFBFGSQYSA-N 1 0 398.223 2.395 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)C[C@@H]21 ZINC000418909530 532881536 /nfs/dbraw/zinc/88/15/36/532881536.db2.gz JIJUFNYVEXXEFK-VBNZEHGJSA-N 1 0 381.929 2.134 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420732271 532886002 /nfs/dbraw/zinc/88/60/02/532886002.db2.gz GPNXUTOVEXQMIK-UKRRQHHQSA-N 1 0 390.933 2.468 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)CCC1 ZINC000276037061 532887595 /nfs/dbraw/zinc/88/75/95/532887595.db2.gz SCGCHKSQQVLXGB-UHFFFAOYSA-N 1 0 389.315 2.067 20 0 GEADRO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000420953253 532887592 /nfs/dbraw/zinc/88/75/92/532887592.db2.gz ZFDSLBHWOATQDL-LSDHHAIUSA-N 1 0 399.329 2.237 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccc(F)cc1 ZINC000290533984 532883957 /nfs/dbraw/zinc/88/39/57/532883957.db2.gz OFMPVIGCFNGUFQ-OAHLLOKOSA-N 1 0 396.260 2.169 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000276144594 532889606 /nfs/dbraw/zinc/88/96/06/532889606.db2.gz NZPOFNYRMPKSOU-HNNXBMFYSA-N 1 0 391.331 2.056 20 0 GEADRO COc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(OC)c1Br ZINC000360280887 532889922 /nfs/dbraw/zinc/88/99/22/532889922.db2.gz YETCXOUMFTZYQK-CHWSQXEVSA-N 1 0 399.285 2.059 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)c1nc(CC23CCC[NH+]2CCC3)no1 ZINC000351361596 532887955 /nfs/dbraw/zinc/88/79/55/532887955.db2.gz RURSQPNXKSLXPD-GFCCVEGCSA-N 1 0 382.511 2.342 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Br ZINC000360020537 532888766 /nfs/dbraw/zinc/88/87/66/532888766.db2.gz MATNMRXDXYPDTP-SJKOYZFVSA-N 1 0 396.285 2.268 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000360038467 532888934 /nfs/dbraw/zinc/88/89/34/532888934.db2.gz HQXBSZGOIMOUJM-INIZCTEOSA-N 1 0 388.555 2.077 20 0 GEADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000276205159 532890723 /nfs/dbraw/zinc/89/07/23/532890723.db2.gz JXKRMLITVNVIDU-GOEBONIOSA-N 1 0 385.555 2.235 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000421842348 532890948 /nfs/dbraw/zinc/89/09/48/532890948.db2.gz KTTMXYIKLXIUBT-CZUORRHYSA-N 1 0 392.924 2.488 20 0 GEADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000360669775 532890456 /nfs/dbraw/zinc/89/04/56/532890456.db2.gz FIVGHHNPMCEECP-YOGCLGLASA-N 1 0 379.404 2.056 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)C1 ZINC000423027695 532893107 /nfs/dbraw/zinc/89/31/07/532893107.db2.gz RTGFIEHANVPWLI-QWRGUYRKSA-N 1 0 388.331 2.055 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000423082151 532893485 /nfs/dbraw/zinc/89/34/85/532893485.db2.gz WEGKNDYHZBCANL-UHFFFAOYSA-N 1 0 394.313 2.137 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC[C@@H]1[NH3+] ZINC000423079346 532893522 /nfs/dbraw/zinc/89/35/22/532893522.db2.gz QOFSUTXUYCLKLH-LRDDRELGSA-N 1 0 394.313 2.136 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423094261 532893641 /nfs/dbraw/zinc/89/36/41/532893641.db2.gz BMBFJGKKYGGNEE-CYBMUJFWSA-N 1 0 396.329 2.383 20 0 GEADRO CCn1cc(Br)cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362070565 532894984 /nfs/dbraw/zinc/89/49/84/532894984.db2.gz XUGZIJQCWQRKFL-ZBFHGGJFSA-N 1 0 397.361 2.369 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000423103737 532893962 /nfs/dbraw/zinc/89/39/62/532893962.db2.gz GLMRMLDALJBDCY-WQVCFCJDSA-N 1 0 394.313 2.308 20 0 GEADRO COCC[N@H+](C)CCNCc1c(Br)cncc1Br ZINC000290982191 532894110 /nfs/dbraw/zinc/89/41/10/532894110.db2.gz YSDPJMUBDADHPV-UHFFFAOYSA-N 1 0 381.112 2.274 20 0 GEADRO [NH3+][C@H]1C[C@@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)c2ccccc21 ZINC000423098020 532894172 /nfs/dbraw/zinc/89/41/72/532894172.db2.gz JQDNBWVRKQVEKJ-JKSUJKDBSA-N 1 0 383.876 2.492 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423103362 532894310 /nfs/dbraw/zinc/89/43/10/532894310.db2.gz PEOYCNRZOBKKCJ-CYBMUJFWSA-N 1 0 382.302 2.006 20 0 GEADRO Cc1csc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1Br ZINC000424022302 532894626 /nfs/dbraw/zinc/89/46/26/532894626.db2.gz UWCBFUVGEUFKHU-NSHDSACASA-N 1 0 384.303 2.347 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Br ZINC000424014488 532894665 /nfs/dbraw/zinc/89/46/65/532894665.db2.gz VDDUSCZBTPJCBA-IUODEOHRSA-N 1 0 398.301 2.217 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000423058962 532892747 /nfs/dbraw/zinc/89/27/47/532892747.db2.gz DMVVKEFPWBKAEA-CQSZACIVSA-N 1 0 382.302 2.073 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)nn1 ZINC000423009551 532892831 /nfs/dbraw/zinc/89/28/31/532892831.db2.gz DHKYNBQWLJORBK-OAHLLOKOSA-N 1 0 378.274 2.367 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000423029386 532892865 /nfs/dbraw/zinc/89/28/65/532892865.db2.gz UXXKIIFTZNVLCU-GFCCVEGCSA-N 1 0 390.347 2.301 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000423013558 532892966 /nfs/dbraw/zinc/89/29/66/532892966.db2.gz GCJNNGWSTCXCNS-MSQAHXEGSA-N 1 0 385.302 2.408 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423064486 532892982 /nfs/dbraw/zinc/89/29/82/532892982.db2.gz ZHVGACIEVSPJPC-UHFFFAOYSA-N 1 0 382.262 2.431 20 0 GEADRO CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000276426786 532895725 /nfs/dbraw/zinc/89/57/25/532895725.db2.gz OYZHFGCBNUGXAL-OAHLLOKOSA-N 1 0 390.571 2.193 20 0 GEADRO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000276426782 532895900 /nfs/dbraw/zinc/89/59/00/532895900.db2.gz OYZHFGCBNUGXAL-HNNXBMFYSA-N 1 0 390.571 2.193 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc12)NCCCC[NH+]1CCOCC1 ZINC000424595234 532895952 /nfs/dbraw/zinc/89/59/52/532895952.db2.gz RDZJNSGLZFHGNS-UHFFFAOYSA-N 1 0 396.285 2.361 20 0 GEADRO CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000276445255 532895969 /nfs/dbraw/zinc/89/59/69/532895969.db2.gz SHPHLEZEANOJPH-OAHLLOKOSA-N 1 0 390.571 2.193 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362398780 532896304 /nfs/dbraw/zinc/89/63/04/532896304.db2.gz ZFXVFYIVKNMLGX-CHWSQXEVSA-N 1 0 377.963 2.048 20 0 GEADRO Cc1oc(Br)cc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000424631436 532896584 /nfs/dbraw/zinc/89/65/84/532896584.db2.gz AMOBEQAADCFDHT-CYBMUJFWSA-N 1 0 386.290 2.023 20 0 GEADRO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CCc1cccc(Br)c1 ZINC000291150494 532896798 /nfs/dbraw/zinc/89/67/98/532896798.db2.gz DQHPLILXHYXPEI-ZDUSSCGKSA-N 1 0 396.329 2.036 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000276500779 532896906 /nfs/dbraw/zinc/89/69/06/532896906.db2.gz RSKOUFSUZNNNJV-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO Cc1oc(Br)cc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000424659363 532897060 /nfs/dbraw/zinc/89/70/60/532897060.db2.gz HWRZWSQOEGFOCA-UHFFFAOYSA-N 1 0 384.318 2.450 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000363215275 532897728 /nfs/dbraw/zinc/89/77/28/532897728.db2.gz RHEDLYMTKIIHRZ-OLZOCXBDSA-N 1 0 376.400 2.337 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000363215277 532897740 /nfs/dbraw/zinc/89/77/40/532897740.db2.gz RHEDLYMTKIIHRZ-STQMWFEESA-N 1 0 376.400 2.337 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)[NH+]1CCC(C)CC1 ZINC000291200738 532897896 /nfs/dbraw/zinc/89/78/96/532897896.db2.gz ALVIRFZBVKTEBL-SNVBAGLBSA-N 1 0 378.420 2.337 20 0 GEADRO O=C(c1cc2c(s1)CCCC2)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000363558255 532899327 /nfs/dbraw/zinc/89/93/27/532899327.db2.gz PQNCPOMDLTZAFA-OAHLLOKOSA-N 1 0 382.551 2.008 20 0 GEADRO C[NH+]1CCC(NC(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000363332209 532898619 /nfs/dbraw/zinc/89/86/19/532898619.db2.gz VOTLBWKWTYPLNN-ZDUSSCGKSA-N 1 0 381.318 2.271 20 0 GEADRO COCCN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000363553946 532899165 /nfs/dbraw/zinc/89/91/65/532899165.db2.gz ZFVCCIFIYXFOOO-NVXWUHKLSA-N 1 0 389.949 2.136 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2nc3ccccc3cc2Br)CC1 ZINC000291461773 532902374 /nfs/dbraw/zinc/90/23/74/532902374.db2.gz NQURNOHBZJWWNO-UHFFFAOYSA-N 1 0 391.313 2.317 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000291387812 532901026 /nfs/dbraw/zinc/90/10/26/532901026.db2.gz TYFKZALVJLOYJO-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000363761225 532901126 /nfs/dbraw/zinc/90/11/26/532901126.db2.gz AFKBOPBSFLTWKG-CABCVRRESA-N 1 0 378.314 2.486 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cnc1Br ZINC000291494073 532902690 /nfs/dbraw/zinc/90/26/90/532902690.db2.gz MUOUTUAXXBOIHS-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC3(CC2)SCC(=O)N3C)c1 ZINC000363818602 532901518 /nfs/dbraw/zinc/90/15/18/532901518.db2.gz LHSSJNQHHCJTND-CQSZACIVSA-N 1 0 384.929 2.385 20 0 GEADRO Cc1ccc(NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c(Br)n1 ZINC000364253095 532905591 /nfs/dbraw/zinc/90/55/91/532905591.db2.gz CXIFHDXYGXCCBR-UHFFFAOYSA-N 1 0 385.306 2.463 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000276873196 532902854 /nfs/dbraw/zinc/90/28/54/532902854.db2.gz LPTUVSBCELXAFZ-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO OC[C@H](C[NH2+]Cc1c(Br)cncc1Br)[C@@H]1CCOC1 ZINC000291512960 532903245 /nfs/dbraw/zinc/90/32/45/532903245.db2.gz IMGNJQCONQCWOW-ZJUUUORDSA-N 1 0 394.107 2.341 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)NC[C@H]1CSCCS1 ZINC000364115957 532903563 /nfs/dbraw/zinc/90/35/63/532903563.db2.gz UVNREAGBPZWQBU-IRXDYDNUSA-N 1 0 380.583 2.441 20 0 GEADRO CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@@H](C)N2CCSCC2)n1 ZINC000276940573 532903851 /nfs/dbraw/zinc/90/38/51/532903851.db2.gz ZFTJZDDZDADSMC-TZMCWYRMSA-N 1 0 383.539 2.421 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000364175792 532904369 /nfs/dbraw/zinc/90/43/69/532904369.db2.gz MZTAYQIHIXDDPP-JKSUJKDBSA-N 1 0 394.313 2.312 20 0 GEADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364213301 532904806 /nfs/dbraw/zinc/90/48/06/532904806.db2.gz HNQJQGVCVBXRTG-HZMBPMFUSA-N 1 0 377.388 2.015 20 0 GEADRO C[C@H](CC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc(F)c(Br)c1 ZINC000291608277 532905133 /nfs/dbraw/zinc/90/51/33/532905133.db2.gz DFHOODYANLZAOY-OCCSQVGLSA-N 1 0 386.309 2.444 20 0 GEADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccc(Br)n3)CCC[N@@H+]2C)cn1 ZINC000364310309 532905790 /nfs/dbraw/zinc/90/57/90/532905790.db2.gz XYJKGTPHEZOLOZ-WBMJQRKESA-N 1 0 392.301 2.391 20 0 GEADRO 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382.917 2.241 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cnc3Cl)C[C@H]21 ZINC000371503973 532948296 /nfs/dbraw/zinc/94/82/96/532948296.db2.gz BTOUPIXVRUEKPX-MWLCHTKSSA-N 1 0 394.722 2.212 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc(C=O)cc3Br)C[C@H]21 ZINC000371543795 532948643 /nfs/dbraw/zinc/94/86/43/532948643.db2.gz CSTMJOYXMOITRB-DZGCQCFKSA-N 1 0 381.270 2.193 20 0 GEADRO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)N3CCSCC3)[C@H](C)C2)s1 ZINC000371018030 532946536 /nfs/dbraw/zinc/94/65/36/532946536.db2.gz VMCHRVUEQOTEHF-CPUCHLNUSA-N 1 0 382.599 2.215 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)NC[C@]1(N2CCOCC2)CCCOC1 ZINC000371167834 532947135 /nfs/dbraw/zinc/94/71/35/532947135.db2.gz WQAWFIRBZYGLJS-QGZVFWFLSA-N 1 0 387.933 2.424 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371227018 532947350 /nfs/dbraw/zinc/94/73/50/532947350.db2.gz BREKAYCANBSIRA-SVGFKBNWSA-N 1 0 378.314 2.392 20 0 GEADRO CCOC(=O)C1(NC(=O)c2ccc(Br)cc2OC)CC[NH+](C)CC1 ZINC000371705702 532949356 /nfs/dbraw/zinc/94/93/56/532949356.db2.gz FPKBYDGAQCLKNS-UHFFFAOYSA-N 1 0 399.285 2.215 20 0 GEADRO CC(C)[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000063678742 136156575 /nfs/dbraw/zinc/15/65/75/136156575.db2.gz LYECHXKQTJLRFR-IBGZPJMESA-N 1 0 392.459 2.051 20 0 GEADRO O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275920175 570700613 /nfs/dbraw/zinc/70/06/13/570700613.db2.gz JVMGHYBNQLAIDL-PIPMEXSNSA-N 1 0 382.508 2.080 20 0 GEADRO CCC[C@]1(C)C(=O)NCCN1C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000189806274 570772896 /nfs/dbraw/zinc/77/28/96/570772896.db2.gz DSULDJVRGDRMKZ-JOCHJYFZSA-N 1 0 386.540 2.348 20 0 GEADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737333490 598833739 /nfs/dbraw/zinc/83/37/39/598833739.db2.gz BYECPCRHBRPQAI-FQEVSTJZSA-N 1 0 390.491 2.498 20 0 GEADRO CC[N@H+](CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1CC1 ZINC000821214757 599294933 /nfs/dbraw/zinc/29/49/33/599294933.db2.gz 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IWZWQCFLQOBNSE-NVXWUHKLSA-N 1 0 384.484 2.111 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000735889302 598505380 /nfs/dbraw/zinc/50/53/80/598505380.db2.gz YKDZISQBBHWNSX-GXTWGEPZSA-N 1 0 391.907 2.310 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000736755725 598511071 /nfs/dbraw/zinc/51/10/71/598511071.db2.gz DKBGSCBUUBIZRS-AWEZNQCLSA-N 1 0 396.451 2.205 20 0 GEADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735915174 598522408 /nfs/dbraw/zinc/52/24/08/598522408.db2.gz ZKJJMRCAAFXAJC-ZIAGYGMSSA-N 1 0 382.472 2.243 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1ccccc1OC1CCCC1)C2 ZINC000738437162 598523887 /nfs/dbraw/zinc/52/38/87/598523887.db2.gz ZOCQJRDIKDIFLD-CQSZACIVSA-N 1 0 394.483 2.216 20 0 GEADRO C[C@](O)(C[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000736136029 598524079 /nfs/dbraw/zinc/52/40/79/598524079.db2.gz DCLYDZLGTPEVCD-FQEVSTJZSA-N 1 0 382.443 2.036 20 0 GEADRO CC1(C)C[N@@H+](C2(CNC(=O)c3ccc(-c4nn[nH]n4)cc3)CCCCC2)CCO1 ZINC000736213141 598534438 /nfs/dbraw/zinc/53/44/38/598534438.db2.gz INDOUIJQHCVTOI-UHFFFAOYSA-N 1 0 398.511 2.410 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736859346 598555841 /nfs/dbraw/zinc/55/58/41/598555841.db2.gz FYBIFOVEOYKVEI-SFHVURJKSA-N 1 0 378.436 2.478 20 0 GEADRO CN(C)C(=O)CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736746522 598562259 /nfs/dbraw/zinc/56/22/59/598562259.db2.gz KOSJLWRWGGWWJI-UHFFFAOYSA-N 1 0 380.452 2.014 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000738074281 598562442 /nfs/dbraw/zinc/56/24/42/598562442.db2.gz BSVRUONFULJOQI-UHFFFAOYSA-N 1 0 381.387 2.076 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735882485 598595951 /nfs/dbraw/zinc/59/59/51/598595951.db2.gz RMSIZLRICPBUJG-APWZRJJASA-N 1 0 397.527 2.072 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CC[C@@H]1CCCCO1 ZINC000736766541 598653072 /nfs/dbraw/zinc/65/30/72/598653072.db2.gz ATJMRUFTUPMQTP-SFHVURJKSA-N 1 0 386.500 2.106 20 0 GEADRO C[C@@H](CNC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736184735 598666345 /nfs/dbraw/zinc/66/63/45/598666345.db2.gz MXUGWIXVXSOPTA-HOTGVXAUSA-N 1 0 394.479 2.271 20 0 GEADRO Cc1nnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737519797 598674758 /nfs/dbraw/zinc/67/47/58/598674758.db2.gz DNKBKAIKZANSHK-QGZVFWFLSA-N 1 0 378.484 2.250 20 0 GEADRO C[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)Cc1ccccc1N1CCOCC1 ZINC000736820344 598678626 /nfs/dbraw/zinc/67/86/26/598678626.db2.gz VZQRWEGEAKHYQQ-UHFFFAOYSA-N 1 0 382.443 2.474 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736757861 598686749 /nfs/dbraw/zinc/68/67/49/598686749.db2.gz XRVQXCFJVBNRSZ-MRXNPFEDSA-N 1 0 393.451 2.220 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736568460 598694040 /nfs/dbraw/zinc/69/40/40/598694040.db2.gz CDFYLURMNRXXMP-KRWDZBQOSA-N 1 0 386.500 2.406 20 0 GEADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738109700 598697843 /nfs/dbraw/zinc/69/78/43/598697843.db2.gz RNXCTTUMOCFBAP-UHFFFAOYSA-N 1 0 392.463 2.271 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736403060 598710602 /nfs/dbraw/zinc/71/06/02/598710602.db2.gz RLGORUAGNVGGHS-AWEZNQCLSA-N 1 0 392.529 2.046 20 0 GEADRO CN(C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC000736851706 598717970 /nfs/dbraw/zinc/71/79/70/598717970.db2.gz KRJHIWFEQQRSIG-UHFFFAOYSA-N 1 0 396.451 2.205 20 0 GEADRO Clc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)ccc1-c1nn[nH]n1 ZINC000737563070 598748075 /nfs/dbraw/zinc/74/80/75/598748075.db2.gz FJQGMSHPKYXJEW-UHFFFAOYSA-N 1 0 376.892 2.459 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1sccc1-c1nn[nH]n1 ZINC000738037227 598755615 /nfs/dbraw/zinc/75/56/15/598755615.db2.gz BMGIWLAPSHLECA-UHFFFAOYSA-N 1 0 392.554 2.410 20 0 GEADRO Cc1nnc(NCC2([NH+]3CCSCC3)CCCCC2)c(-c2nn[nH]n2)c1C ZINC000737520478 598756725 /nfs/dbraw/zinc/75/67/25/598756725.db2.gz KIBVCEZEMFHAIZ-UHFFFAOYSA-N 1 0 388.545 2.437 20 0 GEADRO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736250871 598766217 /nfs/dbraw/zinc/76/62/17/598766217.db2.gz NLOULJPIFZZDOA-HZPDHXFCSA-N 1 0 398.511 2.499 20 0 GEADRO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736278679 598766383 /nfs/dbraw/zinc/76/63/83/598766383.db2.gz UEJWBHXPGWNZGV-MRXNPFEDSA-N 1 0 398.511 2.357 20 0 GEADRO C[C@H]([NH2+]C(C)(C)CNC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736127505 598807430 /nfs/dbraw/zinc/80/74/30/598807430.db2.gz RENXGGVRSCDPBZ-HNNXBMFYSA-N 1 0 394.479 2.491 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736238216 598810250 /nfs/dbraw/zinc/81/02/50/598810250.db2.gz UCGUTPLARROBAX-MJBXVCDLSA-N 1 0 389.529 2.204 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736531215 598811928 /nfs/dbraw/zinc/81/19/28/598811928.db2.gz TZPZEDLKGSTVHQ-SFHVURJKSA-N 1 0 385.516 2.074 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568949 598821352 /nfs/dbraw/zinc/82/13/52/598821352.db2.gz FFCAKKDMYVJENA-GOSISDBHSA-N 1 0 384.484 2.111 20 0 GEADRO C[C@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C[C@H]1[NH+](C)C ZINC000736293517 599296384 /nfs/dbraw/zinc/29/63/84/599296384.db2.gz VCEWZYZEHZZRCR-SUMWQHHRSA-N 1 0 396.451 2.061 20 0 GEADRO O=C(CC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964909 599306754 /nfs/dbraw/zinc/30/67/54/599306754.db2.gz SREONIUTFMHXKP-SFHVURJKSA-N 1 0 396.451 2.470 20 0 GEADRO Cc1nc(CN2CCC[C@H]([N@@H+](C)[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737477172 599318007 /nfs/dbraw/zinc/31/80/07/599318007.db2.gz KQFUHVRQSJZIEJ-GUYCJALGSA-N 1 0 382.472 2.216 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000736276944 599318528 /nfs/dbraw/zinc/31/85/28/599318528.db2.gz IZOJFURINOXSRD-CQSZACIVSA-N 1 0 396.451 2.253 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000735873875 599320849 /nfs/dbraw/zinc/32/08/49/599320849.db2.gz AWMOKNCIMPPPOV-UHFFFAOYSA-N 1 0 397.527 2.026 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821188911 599329639 /nfs/dbraw/zinc/32/96/39/599329639.db2.gz FYUCFXPQSLKTKS-INIZCTEOSA-N 1 0 380.500 2.351 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821188945 599330084 /nfs/dbraw/zinc/33/00/84/599330084.db2.gz HGVUPQJDJNYBKF-INIZCTEOSA-N 1 0 395.515 2.055 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CSc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000821580094 599345247 /nfs/dbraw/zinc/34/52/47/599345247.db2.gz ZEZAOYPMMVUVJU-MRXNPFEDSA-N 1 0 382.493 2.378 20 0 GEADRO Cc1oc(NC(=O)[C@H](C)N2CCC(CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737547183 599360053 /nfs/dbraw/zinc/36/00/53/599360053.db2.gz HXODZAOHRGRUTF-ZDUSSCGKSA-N 1 0 389.504 2.067 20 0 GEADRO CC[C@H](C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[NH+](CC)CC ZINC000736314240 599373346 /nfs/dbraw/zinc/37/33/46/599373346.db2.gz RGTXSSQVGKBWTG-GOSISDBHSA-N 1 0 386.500 2.357 20 0 GEADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412188 599374598 /nfs/dbraw/zinc/37/45/98/599374598.db2.gz KSFZFZUTOKHUQD-UWJYYQICSA-N 1 0 392.507 2.461 20 0 GEADRO COc1ccc([C@H](C)CC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821777806 599381080 /nfs/dbraw/zinc/38/10/80/599381080.db2.gz MQLIREXBZNIIER-ACJLOTCBSA-N 1 0 380.452 2.185 20 0 GEADRO Cc1cccc2c(CC[NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)c[nH]c21 ZINC000822332008 599381797 /nfs/dbraw/zinc/38/17/97/599381797.db2.gz KSSLANJCCHGSHH-GOSISDBHSA-N 1 0 375.436 2.015 20 0 GEADRO C[C@H](C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccc(Cl)cc1 ZINC000820275426 599386266 /nfs/dbraw/zinc/38/62/66/599386266.db2.gz QTEQTSKBGNWXPV-BZNIZROVSA-N 1 0 386.843 2.104 20 0 GEADRO COc1cccc([C@@H](C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)N(C)C)c1 ZINC000821859553 599392147 /nfs/dbraw/zinc/39/21/47/599392147.db2.gz QJSDLCPTIRDSAP-GOSISDBHSA-N 1 0 382.468 2.276 20 0 GEADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(-c2nn[nH]n2)o1 ZINC000821399895 599397472 /nfs/dbraw/zinc/39/74/72/599397472.db2.gz DQBHZTMSNNREAQ-UHFFFAOYSA-N 1 0 383.456 2.222 20 0 GEADRO COc1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)cc1-c1nn[nH]n1 ZINC000821808214 599399053 /nfs/dbraw/zinc/39/90/53/599399053.db2.gz BZGRVZINJPEJRA-LJQANCHMSA-N 1 0 394.479 2.038 20 0 GEADRO COc1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1-c1nn[nH]n1 ZINC000821818085 599404544 /nfs/dbraw/zinc/40/45/44/599404544.db2.gz KLTXVQIRJMYNNI-UHFFFAOYSA-N 1 0 375.436 2.410 20 0 GEADRO C[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[N@@H+]1CCCC[C@H]1C ZINC000820703462 599409167 /nfs/dbraw/zinc/40/91/67/599409167.db2.gz FTXBIPOJXQYZPX-CHWSQXEVSA-N 1 0 375.452 2.068 20 0 GEADRO C[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[N@@H+]1CCCC[C@H]1C ZINC000820703463 599409275 /nfs/dbraw/zinc/40/92/75/599409275.db2.gz FTXBIPOJXQYZPX-OLZOCXBDSA-N 1 0 375.452 2.068 20 0 GEADRO COC(=O)C1CC[NH+](CCCNc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736911261 599410009 /nfs/dbraw/zinc/41/00/09/599410009.db2.gz DZTSUDCMGQMRQE-UHFFFAOYSA-N 1 0 378.864 2.207 20 0 GEADRO COc1ccc(C[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)cc1-c1nn[nH]n1 ZINC000821813766 599425405 /nfs/dbraw/zinc/42/54/05/599425405.db2.gz LMFUTRUZGQNJLS-UHFFFAOYSA-N 1 0 388.472 2.364 20 0 GEADRO O[C@@H](C[NH+]1CCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738383967 599430863 /nfs/dbraw/zinc/43/08/63/599430863.db2.gz YNZYRCCTVGWLIO-SFHVURJKSA-N 1 0 384.871 2.376 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC000821584732 599442924 /nfs/dbraw/zinc/44/29/24/599442924.db2.gz QNGNOASHPUAYJU-OAHLLOKOSA-N 1 0 377.468 2.171 20 0 GEADRO Cc1cc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c2ccccc2n1 ZINC000737262143 599446033 /nfs/dbraw/zinc/44/60/33/599446033.db2.gz KMMRWKMJNWMNTO-UHFFFAOYSA-N 1 0 386.463 2.441 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000820427143 599451227 /nfs/dbraw/zinc/45/12/27/599451227.db2.gz PHZNREMWDDIVND-NSHDSACASA-N 1 0 375.429 2.260 20 0 GEADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823797810 599475429 /nfs/dbraw/zinc/47/54/29/599475429.db2.gz SOGGEXRJSRIYSJ-HNNXBMFYSA-N 1 0 379.468 2.470 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736230885 599477374 /nfs/dbraw/zinc/47/73/74/599477374.db2.gz ABZWSONXMGTRAJ-KDOFPFPSSA-N 1 0 394.454 2.500 20 0 GEADRO Cc1ccc([C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N(C)C)cc1 ZINC000737318779 599486786 /nfs/dbraw/zinc/48/67/86/599486786.db2.gz FBNCXKDKAOHNAX-SFHVURJKSA-N 1 0 376.468 2.215 20 0 GEADRO CC(C)Oc1cccc([C@H](O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000735912878 599489829 /nfs/dbraw/zinc/48/98/29/599489829.db2.gz IXIKHBVOCRMDNB-GOSISDBHSA-N 1 0 393.451 2.125 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000738421273 599491874 /nfs/dbraw/zinc/49/18/74/599491874.db2.gz QLKMUEFOTIDKQZ-UHFFFAOYSA-N 1 0 380.481 2.182 20 0 GEADRO C[C@@H]1CC[C@H](CCC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)O1 ZINC000820683850 599493624 /nfs/dbraw/zinc/49/36/24/599493624.db2.gz IFABIRFBYRTFEC-CRAIPNDOSA-N 1 0 386.500 2.105 20 0 GEADRO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2F)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820768611 599530879 /nfs/dbraw/zinc/53/08/79/599530879.db2.gz OTTVOOVISKBOMS-KUHUBIRLSA-N 1 0 382.443 2.250 20 0 GEADRO CC[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC[N@@H+]1C[C@H](C)O ZINC000820995899 599531548 /nfs/dbraw/zinc/53/15/48/599531548.db2.gz ZYUVKSNGRHNVNW-AAEUAGOBSA-N 1 0 384.406 2.167 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000736232597 599555002 /nfs/dbraw/zinc/55/50/02/599555002.db2.gz ZPDPPURAIXISSU-YJBOKZPZSA-N 1 0 391.479 2.387 20 0 GEADRO CSc1ccc(OCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000821984814 599560125 /nfs/dbraw/zinc/56/01/25/599560125.db2.gz UJGMASHMZIYQKO-UHFFFAOYSA-N 1 0 397.508 2.185 20 0 GEADRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820262247 599561603 /nfs/dbraw/zinc/56/16/03/599561603.db2.gz UAVHORZGDSZURH-AWEZNQCLSA-N 1 0 382.447 2.023 20 0 GEADRO C[C@H]1CCCN1C(=O)CC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820711432 599571135 /nfs/dbraw/zinc/57/11/35/599571135.db2.gz YXZBCLVMDVRPMX-HNNXBMFYSA-N 1 0 384.484 2.111 20 0 GEADRO c1cc(-c2nnc(CN3CCC[C@@H]3C[NH+]3CCCCC3)o2)ccc1-c1nn[nH]n1 ZINC000823738608 599572930 /nfs/dbraw/zinc/57/29/30/599572930.db2.gz WEPIGGOQGUPJBJ-QGZVFWFLSA-N 1 0 394.483 2.367 20 0 GEADRO C[C@@H](O)C[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)C1CCCCC1 ZINC000820480540 599573483 /nfs/dbraw/zinc/57/34/83/599573483.db2.gz LRNFROQHLPSWSO-CYBMUJFWSA-N 1 0 383.456 2.432 20 0 GEADRO C[C@@](CO)([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)C1CCCCC1 ZINC000820280785 599577912 /nfs/dbraw/zinc/57/79/12/599577912.db2.gz OPGALUCLTIWRJD-IBGZPJMESA-N 1 0 383.456 2.338 20 0 GEADRO CC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC)C1CCC1 ZINC000736510700 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GEADRO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820044544 606081584 /nfs/dbraw/zinc/08/15/84/606081584.db2.gz HCDUCFMGWQHTAS-INIZCTEOSA-N 1 0 391.907 2.121 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821088057 606089174 /nfs/dbraw/zinc/08/91/74/606089174.db2.gz IZNHEYRDHNKMLG-ZFWWWQNUSA-N 1 0 389.504 2.067 20 0 GEADRO FC(F)(F)c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1-c1nn[nH]n1 ZINC000822723889 606102660 /nfs/dbraw/zinc/10/26/60/606102660.db2.gz RXPIWMSCURTPMT-GFCCVEGCSA-N 1 0 382.390 2.044 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C[C@H]1C ZINC000821252826 606113565 /nfs/dbraw/zinc/11/35/65/606113565.db2.gz CKALFXBCCJGNND-BXUZGUMPSA-N 1 0 391.545 2.288 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000821252690 606123664 /nfs/dbraw/zinc/12/36/64/606123664.db2.gz BBFWGSDUXYKYJA-MAUKXSAKSA-N 1 0 386.500 2.213 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1)[NH+](C)C ZINC000821995076 606155410 /nfs/dbraw/zinc/15/54/10/606155410.db2.gz ZSKAJHISFUEZCT-LBPRGKRZSA-N 1 0 384.415 2.473 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820076602 606189242 /nfs/dbraw/zinc/18/92/42/606189242.db2.gz OVIKRWCEJHPTMA-UHFFFAOYSA-N 1 0 386.500 2.120 20 0 GEADRO COC(=O)[C@@H](C)[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821639073 606195346 /nfs/dbraw/zinc/19/53/46/606195346.db2.gz PCNLOXOFSGNIOI-KSSFIOAISA-N 1 0 381.436 2.386 20 0 GEADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000819922216 606199497 /nfs/dbraw/zinc/19/94/97/606199497.db2.gz HFHZFPSONIEXBJ-UHFFFAOYSA-N 1 0 389.479 2.044 20 0 GEADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)N1CCN(c2ccccc2)CC1 ZINC000820275413 606209928 /nfs/dbraw/zinc/20/99/28/606209928.db2.gz QFRRJMNLDHLGNC-HNNXBMFYSA-N 1 0 383.525 2.229 20 0 GEADRO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000823176824 606214941 /nfs/dbraw/zinc/21/49/41/606214941.db2.gz ZPBZJPMBSGDZFX-INIZCTEOSA-N 1 0 398.492 2.127 20 0 GEADRO COC1CCN(C2(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)CCCC2)CC1 ZINC000821679606 606218372 /nfs/dbraw/zinc/21/83/72/606218372.db2.gz FAWHPNUKRGIQMA-UHFFFAOYSA-N 1 0 376.530 2.441 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000821001346 606275135 /nfs/dbraw/zinc/27/51/35/606275135.db2.gz QMUMLIPKIVGSKT-HZPDHXFCSA-N 1 0 386.525 2.434 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000820655806 606278612 /nfs/dbraw/zinc/27/86/12/606278612.db2.gz CHUCDMWCVSIIIA-YOEHRIQHSA-N 1 0 379.468 2.320 20 0 GEADRO CN(CC[NH+](C)C)C(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000821584626 606291425 /nfs/dbraw/zinc/29/14/25/606291425.db2.gz LWBKDVXDRHOVLJ-UHFFFAOYSA-N 1 0 380.452 2.079 20 0 GEADRO COC(=O)[C@@H](NCCCCC[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000821642690 606307158 /nfs/dbraw/zinc/30/71/58/606307158.db2.gz NLXNFBAXQMSTQF-SFHVURJKSA-N 1 0 386.500 2.327 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H](c1cccs1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561562 606308470 /nfs/dbraw/zinc/30/84/70/606308470.db2.gz FJBARZMOAZCZCY-MRXNPFEDSA-N 1 0 389.506 2.443 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562378 606308472 /nfs/dbraw/zinc/30/84/72/606308472.db2.gz REKLLQXFDMRWSG-GOSISDBHSA-N 1 0 383.477 2.308 20 0 GEADRO CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000821153923 606316633 /nfs/dbraw/zinc/31/66/33/606316633.db2.gz HISAVGBWZPAHGG-YOEHRIQHSA-N 1 0 379.468 2.492 20 0 GEADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000821651770 606317815 /nfs/dbraw/zinc/31/78/15/606317815.db2.gz FZMACUWBEONCAZ-QGZVFWFLSA-N 1 0 386.500 2.135 20 0 GEADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000821652761 606318434 /nfs/dbraw/zinc/31/84/34/606318434.db2.gz ZFCDRSUITPGGMN-IBGZPJMESA-N 1 0 398.511 2.279 20 0 GEADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000821651884 606329029 /nfs/dbraw/zinc/32/90/29/606329029.db2.gz ICHFTUCWPCEBQL-SFHVURJKSA-N 1 0 384.484 2.031 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000445741312 649965267 /nfs/dbraw/zinc/96/52/67/649965267.db2.gz HDAZSPMDLCYLNN-KBPBESRZSA-N 1 0 380.457 2.304 20 0 GEADRO C[NH+](C)C1(CNC(=O)N2CCN(c3ccc(Br)cn3)CC2)CCC1 ZINC000445865217 649965289 /nfs/dbraw/zinc/96/52/89/649965289.db2.gz DUUSRSZETROBFH-UHFFFAOYSA-N 1 0 396.333 2.160 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000821253544 606335553 /nfs/dbraw/zinc/33/55/53/606335553.db2.gz GWVDFUITPSTBMV-KGLIPLIRSA-N 1 0 389.891 2.017 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821253613 606336021 /nfs/dbraw/zinc/33/60/21/606336021.db2.gz HYRXOOJEJUOCLK-KGLIPLIRSA-N 1 0 389.891 2.017 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000821000910 606343818 /nfs/dbraw/zinc/34/38/18/606343818.db2.gz LRCZUCIZDCCUCB-GJZGRUSLSA-N 1 0 385.472 2.356 20 0 GEADRO CC(C)CN(C(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000445886424 649965526 /nfs/dbraw/zinc/96/55/26/649965526.db2.gz PVROUTCVKUSIHR-KGLIPLIRSA-N 1 0 386.480 2.225 20 0 GEADRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821587182 606355492 /nfs/dbraw/zinc/35/54/92/606355492.db2.gz KQDPMRJTOFSWRC-UHFFFAOYSA-N 1 0 399.430 2.268 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000820530208 606366857 /nfs/dbraw/zinc/36/68/57/606366857.db2.gz XXDLUOZJZMXWGS-CQSZACIVSA-N 1 0 384.484 2.157 20 0 GEADRO COC(=O)CN(C)C(=O)CC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445897873 649965928 /nfs/dbraw/zinc/96/59/28/649965928.db2.gz OYTRZZOSVSAVNF-CQSZACIVSA-N 1 0 399.285 2.226 20 0 GEADRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000376228432 606413235 /nfs/dbraw/zinc/41/32/35/606413235.db2.gz QHSHVUUAKBWILF-UHFFFAOYSA-N 1 0 377.452 2.103 20 0 GEADRO COc1cc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)ccc1OCCO ZINC000821708219 606413257 /nfs/dbraw/zinc/41/32/57/606413257.db2.gz LRGMDMKILUNDDN-NSHDSACASA-N 1 0 375.454 2.159 20 0 GEADRO CC[C@H](C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccccc1C ZINC000820909647 606415731 /nfs/dbraw/zinc/41/57/31/606415731.db2.gz ZLNCBZWGQMVOOZ-AEFFLSMTSA-N 1 0 380.452 2.149 20 0 GEADRO O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000823521130 606425016 /nfs/dbraw/zinc/42/50/16/606425016.db2.gz QKCQPIDTPGSHBV-NUEKZKHPSA-N 1 0 380.477 2.175 20 0 GEADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000823713711 606469985 /nfs/dbraw/zinc/46/99/85/606469985.db2.gz INHWBMXHMFMEDA-HOCLYGCPSA-N 1 0 399.886 2.210 20 0 GEADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821277785 606483531 /nfs/dbraw/zinc/48/35/31/606483531.db2.gz YPRLUPCOCOTXOQ-UHFFFAOYSA-N 1 0 383.481 2.322 20 0 GEADRO OCCN(Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000823722680 606484567 /nfs/dbraw/zinc/48/45/67/606484567.db2.gz XCINOUVOJVDKKZ-UHFFFAOYSA-N 1 0 375.379 2.463 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000823093445 606502317 /nfs/dbraw/zinc/50/23/17/606502317.db2.gz YHJPKFYLQWMAFH-UHFFFAOYSA-N 1 0 376.464 2.190 20 0 GEADRO CC[C@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000820901908 606508294 /nfs/dbraw/zinc/50/82/94/606508294.db2.gz GDLOVXUUEHBXIP-HXUWFJFHSA-N 1 0 390.491 2.362 20 0 GEADRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@H](C)C3)C1 ZINC000821697758 606518074 /nfs/dbraw/zinc/51/80/74/606518074.db2.gz PYZVBCCEHMKDEV-NWDGAFQWSA-N 1 0 390.513 2.102 20 0 GEADRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1(C)C ZINC000821677881 606600943 /nfs/dbraw/zinc/60/09/43/606600943.db2.gz FZFOUTOCDWZINO-ZWKOPEQDSA-N 1 0 390.513 2.147 20 0 GEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821572126 606616271 /nfs/dbraw/zinc/61/62/71/606616271.db2.gz SCNXXYAUZVPUJC-OAHLLOKOSA-N 1 0 388.472 2.187 20 0 GEADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccc([S@](C)=O)cc1 ZINC000821611172 606616298 /nfs/dbraw/zinc/61/62/98/606616298.db2.gz ULQSKEDFTDLIGV-MHZLTWQESA-N 1 0 380.477 2.489 20 0 GEADRO C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)C1([NH+]2CCOCC2)CCCC1 ZINC000820321671 606639200 /nfs/dbraw/zinc/63/92/00/606639200.db2.gz KPAOXUNXBTWBOX-HLRDLLSLSA-N 1 0 396.495 2.030 20 0 GEADRO C[C@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)C1([NH+]2CCOCC2)CCCC1 ZINC000820321670 606639268 /nfs/dbraw/zinc/63/92/68/606639268.db2.gz KPAOXUNXBTWBOX-FDMDGMSGSA-N 1 0 396.495 2.030 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821240442 606692583 /nfs/dbraw/zinc/69/25/83/606692583.db2.gz GOHWBIFHENFFDF-CXAGYDPISA-N 1 0 396.451 2.109 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1c1c(F)cccc1F ZINC000823514159 606735734 /nfs/dbraw/zinc/73/57/34/606735734.db2.gz 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ZINC000826407083 607831010 /nfs/dbraw/zinc/83/10/10/607831010.db2.gz AMVULWYRDJXOGC-UHFFFAOYSA-N 1 0 377.452 2.470 20 0 GEADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824538419 607842715 /nfs/dbraw/zinc/84/27/15/607842715.db2.gz IYPJNYAGOZWNKT-SJWGOKEGSA-N 1 0 382.468 2.131 20 0 GEADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824540391 607842739 /nfs/dbraw/zinc/84/27/39/607842739.db2.gz XHPZMSFHAWERON-GUDXXQAFSA-N 1 0 382.468 2.131 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[C@H]1COc2ccccc21 ZINC000824554293 607843555 /nfs/dbraw/zinc/84/35/55/607843555.db2.gz OCRXSQVJUHMZSA-VHSSKADRSA-N 1 0 390.447 2.126 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1COc2ccccc21 ZINC000824528698 607843750 /nfs/dbraw/zinc/84/37/50/607843750.db2.gz BLEHWAFDONVJGT-IIYDPXPESA-N 1 0 378.436 2.348 20 0 GEADRO OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826507274 607858505 /nfs/dbraw/zinc/85/85/05/607858505.db2.gz LRRQRXJXAZBDPD-VQTJNVASSA-N 1 0 379.464 2.173 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(c3nc(C(F)(F)F)ccc3-c3nn[nH]n3)C2)CC1 ZINC000826022858 607903858 /nfs/dbraw/zinc/90/38/58/607903858.db2.gz UFCKPFYSIWRNJT-LBPRGKRZSA-N 1 0 381.406 2.449 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)cc1-c1nn[nH]n1 ZINC000826202509 607939140 /nfs/dbraw/zinc/93/91/40/607939140.db2.gz CFGUJXYRCANDNI-KRWDZBQOSA-N 1 0 378.436 2.463 20 0 GEADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[C@H]1CCSC1 ZINC000825915019 607958658 /nfs/dbraw/zinc/95/86/58/607958658.db2.gz RHIPIOJWVOKRGV-JTQLQIEISA-N 1 0 378.527 2.183 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccccc1 ZINC000826028509 607978685 /nfs/dbraw/zinc/97/86/85/607978685.db2.gz BLILMSQISGGJLT-ZWKOTPCHSA-N 1 0 377.452 2.111 20 0 GEADRO CCCCOc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cc1 ZINC000825291558 608019289 /nfs/dbraw/zinc/01/92/89/608019289.db2.gz TVZZPVPOHNWWBA-UHFFFAOYSA-N 1 0 398.471 2.173 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCCc3ccccc32)c1-c1nn[nH]n1 ZINC000826077656 608019653 /nfs/dbraw/zinc/01/96/53/608019653.db2.gz PNMVZNGMJAZWGO-CQSZACIVSA-N 1 0 394.483 2.191 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2cccc(F)c2)c1-c1nn[nH]n1 ZINC000826077689 608019680 /nfs/dbraw/zinc/01/96/80/608019680.db2.gz QREHONILLMGGNP-LLVKDONJSA-N 1 0 386.435 2.013 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCC(C)C)cc2)c1-c1nn[nH]n1 ZINC000826083064 608020979 /nfs/dbraw/zinc/02/09/79/608020979.db2.gz HUUOONNSHHJQEH-UHFFFAOYSA-N 1 0 398.471 2.029 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCC(C)(C)c2ccccc2)c1-c1nn[nH]n1 ZINC000826077576 608021362 /nfs/dbraw/zinc/02/13/62/608021362.db2.gz NAGREMQPVIGOAP-UHFFFAOYSA-N 1 0 396.499 2.438 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1-c1nn[nH]n1 ZINC000826083574 608021595 /nfs/dbraw/zinc/02/15/95/608021595.db2.gz NITBHSQLZZPKEF-UHFFFAOYSA-N 1 0 399.846 2.129 20 0 GEADRO CN(C)c1cccc(C[N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000825914813 608032923 /nfs/dbraw/zinc/03/29/23/608032923.db2.gz OZRGTKNXQFOVTJ-UHFFFAOYSA-N 1 0 385.497 2.455 20 0 GEADRO COc1cc(C[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)ccc1O ZINC000826179303 608040147 /nfs/dbraw/zinc/04/01/47/608040147.db2.gz ISHOLJXXQHIMNP-SFHVURJKSA-N 1 0 381.436 2.279 20 0 GEADRO C[NH+](C)[C@]1(CNc2ccc(-c3nn[nH]n3)cc2Br)CCSC1 ZINC000825849727 608050744 /nfs/dbraw/zinc/05/07/44/608050744.db2.gz MBTTXPBHHBYKJA-AWEZNQCLSA-N 1 0 383.319 2.478 20 0 GEADRO c1cc(-c2nn[nH]n2)cc([C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CCO2)c1 ZINC000826513590 608068413 /nfs/dbraw/zinc/06/84/13/608068413.db2.gz PSRDUIPHQCAOCL-HXUWFJFHSA-N 1 0 377.448 2.418 20 0 GEADRO Cc1cccc([C@@H]2CC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826297539 608127728 /nfs/dbraw/zinc/12/77/28/608127728.db2.gz KYSZIIWUYIJCTI-MOPGFXCFSA-N 1 0 379.464 2.404 20 0 GEADRO Cc1cccc([C@H]2CC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826297540 608127773 /nfs/dbraw/zinc/12/77/73/608127773.db2.gz KYSZIIWUYIJCTI-OALUTQOASA-N 1 0 379.464 2.404 20 0 GEADRO Cc1cc(C)cc([C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264109 608128340 /nfs/dbraw/zinc/12/83/40/608128340.db2.gz CCZZDSSUPNKPIL-MJGOQNOKSA-N 1 0 376.464 2.499 20 0 GEADRO CC(C)[C@@H](CNc1ccc2cc(-c3nn[nH]n3)ccc2n1)[NH+]1CCN(C)CC1 ZINC000824190857 608221440 /nfs/dbraw/zinc/22/14/40/608221440.db2.gz AKPPWJQOCTXGQG-GOSISDBHSA-N 1 0 380.500 2.099 20 0 GEADRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000825192825 608264058 /nfs/dbraw/zinc/26/40/58/608264058.db2.gz JFGUIRPGHDCKSA-KBPBESRZSA-N 1 0 380.456 2.254 20 0 GEADRO CC[NH+]1CCN(Cc2ccccc2CNc2nc(C)ccc2-c2nn[nH]n2)CC1 ZINC000825460373 608273573 /nfs/dbraw/zinc/27/35/73/608273573.db2.gz VHOPXNWESZAFAN-UHFFFAOYSA-N 1 0 392.511 2.320 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)c(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000826276250 608274949 /nfs/dbraw/zinc/27/49/49/608274949.db2.gz YOSBSUUTVDSKSP-INIZCTEOSA-N 1 0 378.484 2.193 20 0 GEADRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000824604703 608285153 /nfs/dbraw/zinc/28/51/53/608285153.db2.gz DCGOJVDVOCNQIL-MGPUTAFESA-N 1 0 396.470 2.385 20 0 GEADRO C[NH+](C)CCOc1cc(CNc2nc3c(cc2-c2nn[nH]n2)CCCC3)ccn1 ZINC000825870192 608301192 /nfs/dbraw/zinc/30/11/92/608301192.db2.gz DLAMGNHCVKJZMM-UHFFFAOYSA-N 1 0 394.483 2.088 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CN1Cc1ccccc1 ZINC000824892517 608307337 /nfs/dbraw/zinc/30/73/37/608307337.db2.gz JOVLNMQNFREXSW-VQIMIIECSA-N 1 0 378.480 2.498 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1-c1nn[nH]n1 ZINC000826332286 608313375 /nfs/dbraw/zinc/31/33/75/608313375.db2.gz PFAZHSFZZDRYDP-UHFFFAOYSA-N 1 0 389.467 2.464 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(n3ccnc3)CC2)c1-c1nn[nH]n1 ZINC000826332049 608314685 /nfs/dbraw/zinc/31/46/85/608314685.db2.gz IEFMKJRWGSNSHO-UHFFFAOYSA-N 1 0 389.467 2.394 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C[C@H]1C ZINC000825444194 608314948 /nfs/dbraw/zinc/31/49/48/608314948.db2.gz JWUFINLWZRMJPB-CHWSQXEVSA-N 1 0 383.456 2.114 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(c3c[nH]cn3)CC2)c1-c1nn[nH]n1 ZINC000826331913 608316315 /nfs/dbraw/zinc/31/63/15/608316315.db2.gz CRBJZSIVBWZAJL-UHFFFAOYSA-N 1 0 389.467 2.464 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC000826332310 608317510 /nfs/dbraw/zinc/31/75/10/608317510.db2.gz PSUVPARDGLMUMD-AEFFLSMTSA-N 1 0 392.511 2.277 20 0 GEADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826321390 608320484 /nfs/dbraw/zinc/32/04/84/608320484.db2.gz DBWSWJFPBCEOQO-CYBMUJFWSA-N 1 0 386.485 2.434 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000824046521 608325526 /nfs/dbraw/zinc/32/55/26/608325526.db2.gz SWXDZMWAXDKIBN-PMPSAXMXSA-N 1 0 384.484 2.332 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000826169034 608375919 /nfs/dbraw/zinc/37/59/19/608375919.db2.gz GMGYFFAJCLDKBK-UHFFFAOYSA-N 1 0 384.484 2.242 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000826028526 608379363 /nfs/dbraw/zinc/37/93/63/608379363.db2.gz BRQIEDFXAUVKDP-NSHDSACASA-N 1 0 389.410 2.192 20 0 GEADRO CC(C)(O)C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000824165841 608381834 /nfs/dbraw/zinc/38/18/34/608381834.db2.gz BGFJDLVYSVUAHE-UHFFFAOYSA-N 1 0 392.529 2.275 20 0 GEADRO CS[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)C[C@@H]1[NH+](C)C ZINC000826226986 608382619 /nfs/dbraw/zinc/38/26/19/608382619.db2.gz JOKBVNBKWSZFBZ-STQMWFEESA-N 1 0 391.451 2.175 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000826170240 608429396 /nfs/dbraw/zinc/42/93/96/608429396.db2.gz TUTNGMJMFCNBOY-LJQANCHMSA-N 1 0 394.479 2.038 20 0 GEADRO COc1ccc([C@H]([NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C(C)C)cc1 ZINC000826189193 608429454 /nfs/dbraw/zinc/42/94/54/608429454.db2.gz PJKXTSJWQWRJIE-HXUWFJFHSA-N 1 0 394.479 2.478 20 0 GEADRO O=C1CCCN1C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826480551 608444056 /nfs/dbraw/zinc/44/40/56/608444056.db2.gz GYDDFULGZXPYSM-IBGZPJMESA-N 1 0 392.463 2.199 20 0 GEADRO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584814 608459297 /nfs/dbraw/zinc/45/92/97/608459297.db2.gz HWZVHYAYRYXALP-CYBMUJFWSA-N 1 0 376.420 2.204 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824611922 608460926 /nfs/dbraw/zinc/46/09/26/608460926.db2.gz FWRPZKNCFMARSZ-LLVKDONJSA-N 1 0 381.827 2.379 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCc1c(F)cccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563815 608463547 /nfs/dbraw/zinc/46/35/47/608463547.db2.gz QHDHGWKRVGQYHJ-LBPRGKRZSA-N 1 0 386.406 2.154 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564885 608463587 /nfs/dbraw/zinc/46/35/87/608463587.db2.gz XRORKPQUKDIAQB-GFCCVEGCSA-N 1 0 382.472 2.187 20 0 GEADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824000086 608464383 /nfs/dbraw/zinc/46/43/83/608464383.db2.gz UCAATTVCKKGBGU-LBPRGKRZSA-N 1 0 379.424 2.114 20 0 GEADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826209723 608468051 /nfs/dbraw/zinc/46/80/51/608468051.db2.gz NSWFKLSGHIXDNQ-LBPRGKRZSA-N 1 0 382.424 2.173 20 0 GEADRO CN(C)C(=O)C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825838811 608473231 /nfs/dbraw/zinc/47/32/31/608473231.db2.gz CJGNALNYDQKUQD-GOSISDBHSA-N 1 0 380.452 2.055 20 0 GEADRO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826218766 608490132 /nfs/dbraw/zinc/49/01/32/608490132.db2.gz KMLRFXGCHUVJKD-UONOGXRCSA-N 1 0 380.452 2.403 20 0 GEADRO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826219885 608491446 /nfs/dbraw/zinc/49/14/46/608491446.db2.gz UTRPZVOSBPRKFD-CQSZACIVSA-N 1 0 380.452 2.185 20 0 GEADRO CCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000825649253 608493786 /nfs/dbraw/zinc/49/37/86/608493786.db2.gz MXTXOSCLUBLXBG-CQSZACIVSA-N 1 0 380.452 2.232 20 0 GEADRO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000825649252 608493990 /nfs/dbraw/zinc/49/39/90/608493990.db2.gz MXTXOSCLUBLXBG-AWEZNQCLSA-N 1 0 380.452 2.232 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(F)cc1 ZINC000826437339 608504248 /nfs/dbraw/zinc/50/42/48/608504248.db2.gz HIIHVMLDRZYRKS-SFHVURJKSA-N 1 0 380.427 2.403 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)COCc1ccccc1 ZINC000826502738 608509782 /nfs/dbraw/zinc/50/97/82/608509782.db2.gz JPCZUYIQZNLFAH-QUCCMNQESA-N 1 0 379.464 2.411 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1-n1cccn1 ZINC000824569379 608517761 /nfs/dbraw/zinc/51/77/61/608517761.db2.gz HJJBICHZJZRJMX-KUHUBIRLSA-N 1 0 375.436 2.437 20 0 GEADRO COc1ccc(C2([NH2+]CC(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)CC2)cc1 ZINC000826189981 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/nfs/dbraw/zinc/21/43/93/650214393.db2.gz SFJHJZIGHWKXGU-ZWNOBZJWSA-N 1 0 398.276 2.434 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Br)cnc2C)[C@H](C)C1 ZINC000453710047 650218367 /nfs/dbraw/zinc/21/83/67/650218367.db2.gz DZUVMAXZTXXEPK-ABAIWWIYSA-N 1 0 397.317 2.280 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453912143 650235348 /nfs/dbraw/zinc/23/53/48/650235348.db2.gz CUXWGZCGIOCAMA-SWLSCSKDSA-N 1 0 380.286 2.113 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000454593812 650272577 /nfs/dbraw/zinc/27/25/77/650272577.db2.gz PCMSGADINLNQEZ-UHFFFAOYSA-N 1 0 398.280 2.253 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NC/C=C/c2ccc(Br)cc2)C1 ZINC000454540786 650269095 /nfs/dbraw/zinc/26/90/95/650269095.db2.gz JYFSCINBZVNFQR-KZSQQDEKSA-N 1 0 382.302 2.482 20 0 GEADRO COc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1Br ZINC000454782999 650278379 /nfs/dbraw/zinc/27/83/79/650278379.db2.gz OPMXKICQARDIHR-ZDUSSCGKSA-N 1 0 386.290 2.426 20 0 GEADRO COc1cc(Br)cc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000455041682 650288137 /nfs/dbraw/zinc/28/81/37/650288137.db2.gz FQYGADAVZHJVQK-CQSZACIVSA-N 1 0 386.290 2.426 20 0 GEADRO CC(C)C[C@H](CNC(=O)c1ccc(I)cn1)[NH+](C)C ZINC000455637835 650310588 /nfs/dbraw/zinc/31/05/88/650310588.db2.gz JWAYVWJIAQWYAU-GFCCVEGCSA-N 1 0 375.254 2.392 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000455793007 650318571 /nfs/dbraw/zinc/31/85/71/650318571.db2.gz DKMVCVIUSTXPJU-LBPRGKRZSA-N 1 0 384.322 2.158 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000456105818 650330817 /nfs/dbraw/zinc/33/08/17/650330817.db2.gz NGDHLNGVQYMBTI-PJODQICGSA-N 1 0 385.302 2.147 20 0 GEADRO CC[N@H+](CC(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br)C1CC1 ZINC000456108916 650330897 /nfs/dbraw/zinc/33/08/97/650330897.db2.gz VMYODCHNMLZNPW-INIZCTEOSA-N 1 0 385.302 2.434 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)c1ccc(Br)cc1 ZINC000456170584 650332741 /nfs/dbraw/zinc/33/27/41/650332741.db2.gz QCHRSYFOLKFICC-PVAVHDDUSA-N 1 0 394.313 2.179 20 0 GEADRO CCCCS(=O)(=O)N1CCC(C(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000456204669 650333715 /nfs/dbraw/zinc/33/37/15/650333715.db2.gz OWGOLXGEVQDROX-UHFFFAOYSA-N 1 0 375.579 2.065 20 0 GEADRO O=C(N[C@H]1CCc2c1ccc(F)c2Br)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000456280865 650336023 /nfs/dbraw/zinc/33/60/23/650336023.db2.gz TYYUVXBPRKYUEF-GJZGRUSLSA-N 1 0 382.277 2.082 20 0 GEADRO CC(=O)N[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456383063 650338612 /nfs/dbraw/zinc/33/86/12/650338612.db2.gz YBKOHRFRGRPBHU-NEPJUHHUSA-N 1 0 397.317 2.053 20 0 GEADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cn1cccn1 ZINC000456362736 650337982 /nfs/dbraw/zinc/33/79/82/650337982.db2.gz FBPIWXLFAJUNGE-ZDUSSCGKSA-N 1 0 392.301 2.425 20 0 GEADRO CC[C@@H](C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC)[NH+](C)C ZINC000456718420 650358487 /nfs/dbraw/zinc/35/84/87/650358487.db2.gz LCPRWNRUXIWVGZ-WFASDCNBSA-N 1 0 387.318 2.065 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456733044 650361301 /nfs/dbraw/zinc/36/13/01/650361301.db2.gz VMBCGTZDZVUICH-MRVWCRGKSA-N 1 0 387.293 2.053 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000457209945 650373743 /nfs/dbraw/zinc/37/37/43/650373743.db2.gz PJTLBZOJODCFQW-GFCCVEGCSA-N 1 0 382.302 2.258 20 0 GEADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500537645 650380281 /nfs/dbraw/zinc/38/02/81/650380281.db2.gz UIVPCRQGGNFWOH-SMDDNHRTSA-N 1 0 391.331 2.265 20 0 GEADRO COc1c(Br)cccc1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500537642 650380286 /nfs/dbraw/zinc/38/02/86/650380286.db2.gz UIVPCRQGGNFWOH-FZMZJTMJSA-N 1 0 391.331 2.265 20 0 GEADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000457365949 650376365 /nfs/dbraw/zinc/37/63/65/650376365.db2.gz CFQXSPUXHWTHFK-YRGRVCCFSA-N 1 0 380.286 2.140 20 0 GEADRO C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](C)[C@H]1[NH3+] ZINC000457366069 650376764 /nfs/dbraw/zinc/37/67/64/650376764.db2.gz URRGWZONRKNIOZ-JRATXPSKSA-N 1 0 394.313 2.386 20 0 GEADRO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 ZINC000457369279 650376870 /nfs/dbraw/zinc/37/68/70/650376870.db2.gz HNSWYAPCLFOUDD-OAHLLOKOSA-N 1 0 379.507 2.307 20 0 GEADRO COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500557101 650380501 /nfs/dbraw/zinc/38/05/01/650380501.db2.gz IECGDTZQMPAJSY-RISCZKNCSA-N 1 0 391.331 2.265 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1OC(F)F ZINC000500467197 650378347 /nfs/dbraw/zinc/37/83/47/650378347.db2.gz FCCNOWTVOUTIDX-STQMWFEESA-N 1 0 378.441 2.104 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCn1cc(Br)ccc1=O ZINC000457494789 650379922 /nfs/dbraw/zinc/37/99/22/650379922.db2.gz BXZWMABKLZGYPO-CQSZACIVSA-N 1 0 399.333 2.175 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000457485521 650379933 /nfs/dbraw/zinc/37/99/33/650379933.db2.gz PCHAHKHEAUWIET-CQSZACIVSA-N 1 0 394.317 2.155 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cncc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000457672472 650382370 /nfs/dbraw/zinc/38/23/70/650382370.db2.gz OUSNXAZDCMXBGA-CQSZACIVSA-N 1 0 387.933 2.015 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2F)C[C@H](C)[N@H+]1CCO ZINC000457774204 650384328 /nfs/dbraw/zinc/38/43/28/650384328.db2.gz LVXNZTAXHPYHAU-TXEJJXNPSA-N 1 0 388.281 2.185 20 0 GEADRO O=C(NCc1cc(Br)cs1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457798865 650385104 /nfs/dbraw/zinc/38/51/04/650385104.db2.gz AQLKFJHJQZTNRW-LBPRGKRZSA-N 1 0 376.320 2.157 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)CC[N@@H+]1C ZINC000500937152 650385172 /nfs/dbraw/zinc/38/51/72/650385172.db2.gz ZALLYQIRPJWNHX-NWDGAFQWSA-N 1 0 390.347 2.276 20 0 GEADRO O=C(NCc1csc(Br)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457820580 650385553 /nfs/dbraw/zinc/38/55/53/650385553.db2.gz XHIMAMJMJIHRQF-LBPRGKRZSA-N 1 0 376.320 2.157 20 0 GEADRO O=C(NCc1cc(F)cc(Br)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457957937 650390731 /nfs/dbraw/zinc/39/07/31/650390731.db2.gz MRVLNRBHZWUXRA-HNNXBMFYSA-N 1 0 388.281 2.234 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CC[C@](C)(F)C2)c1 ZINC000501390894 650390947 /nfs/dbraw/zinc/39/09/47/650390947.db2.gz FYFPOQBRRQAUFE-INIZCTEOSA-N 1 0 391.896 2.353 20 0 GEADRO Cc1ncc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000501493675 650393110 /nfs/dbraw/zinc/39/31/10/650393110.db2.gz BPBQSEKYCYQCBV-CYBMUJFWSA-N 1 0 378.523 2.480 20 0 GEADRO O=C(NCc1sccc1Br)NC[C@H]1CCC[N@H+]1CCCO ZINC000458163786 650398404 /nfs/dbraw/zinc/39/84/04/650398404.db2.gz YVCJHRQZWVRVCD-LLVKDONJSA-N 1 0 376.320 2.157 20 0 GEADRO CCC[N@H+](C)CC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458162870 650398429 /nfs/dbraw/zinc/39/84/29/650398429.db2.gz YHIHMSYTBVKRKK-CYBMUJFWSA-N 1 0 375.282 2.197 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000501980061 650399806 /nfs/dbraw/zinc/39/98/06/650399806.db2.gz PRNNEWIAQPFEQD-CHWSQXEVSA-N 1 0 381.318 2.223 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458388325 650402062 /nfs/dbraw/zinc/40/20/62/650402062.db2.gz YDRWSMVUEXESGR-INIZCTEOSA-N 1 0 384.318 2.404 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458395210 650402094 /nfs/dbraw/zinc/40/20/94/650402094.db2.gz LCQYFBWCBPUMFI-INIZCTEOSA-N 1 0 384.318 2.138 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1nc(C(F)(F)F)cs1 ZINC000458722276 650409119 /nfs/dbraw/zinc/40/91/19/650409119.db2.gz OEUZHVGMLJSBQC-MNOVXSKESA-N 1 0 380.436 2.369 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000458431332 650403590 /nfs/dbraw/zinc/40/35/90/650403590.db2.gz GLPDWZZIYXGMBW-OAHLLOKOSA-N 1 0 387.933 2.287 20 0 GEADRO C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Br)cn1 ZINC000458724397 650409597 /nfs/dbraw/zinc/40/95/97/650409597.db2.gz CUULRGZREWFCTC-XQQFMLRXSA-N 1 0 385.306 2.002 20 0 GEADRO C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000458858449 650412091 /nfs/dbraw/zinc/41/20/91/650412091.db2.gz UFLMTXSLCMLZDA-ZUZCIYMTSA-N 1 0 376.270 2.261 20 0 GEADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000502944418 650413132 /nfs/dbraw/zinc/41/31/32/650413132.db2.gz QBNPWXUXICRYOE-KRWDZBQOSA-N 1 0 396.285 2.455 20 0 GEADRO COC(=O)[C@]1(C)C[N@H+](C[C@H](O)COc2cccc(Br)c2)C[C@H]1C ZINC000503192727 650415360 /nfs/dbraw/zinc/41/53/60/650415360.db2.gz IHYXRFSDHTVEEY-HACGYAERSA-N 1 0 386.286 2.320 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@H]1[NH+](C)C ZINC000503205677 650415695 /nfs/dbraw/zinc/41/56/95/650415695.db2.gz CLNOLMXWZPWXNM-KGLIPLIRSA-N 1 0 383.564 2.476 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1OCC ZINC000503211604 650415849 /nfs/dbraw/zinc/41/58/49/650415849.db2.gz JXMXCXTXTCYJBA-YOEHRIQHSA-N 1 0 388.555 2.150 20 0 GEADRO C[C@@H](CNC(=O)N(CCO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC000459040700 650417799 /nfs/dbraw/zinc/41/77/99/650417799.db2.gz MNEBFYCTNNQUFS-NSHDSACASA-N 1 0 376.270 2.042 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NC[C@H](C)[NH+](C)C)cc1Br ZINC000459056498 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CO[C@H](C)C[N@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000513329685 650561415 /nfs/dbraw/zinc/56/14/15/650561415.db2.gz PNXLTMILFHPCPC-GFCCVEGCSA-N 1 0 375.300 2.004 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000477098655 650568516 /nfs/dbraw/zinc/56/85/16/650568516.db2.gz KIIGIQJLRCEGTO-NSHDSACASA-N 1 0 388.281 2.051 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000477123246 650569374 /nfs/dbraw/zinc/56/93/74/650569374.db2.gz WCEZVTQIERYTIP-UONOGXRCSA-N 1 0 380.457 2.304 20 0 GEADRO O=C1[C@@H](N2CCN([C@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000514726538 650577880 /nfs/dbraw/zinc/57/78/80/650577880.db2.gz CZEOSCUEGFOBSN-YOEHRIQHSA-N 1 0 383.323 2.078 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000514825087 650580453 /nfs/dbraw/zinc/58/04/53/650580453.db2.gz PBRVWDXYPJOXTK-AWEZNQCLSA-N 1 0 396.329 2.385 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477996394 650580673 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GEADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000514937116 650583744 /nfs/dbraw/zinc/58/37/44/650583744.db2.gz GDCAWHAQFLJVSL-UHFFFAOYSA-N 1 0 379.766 2.341 20 0 GEADRO CC[N@H+](C)C[C@@H](O)CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000514946185 650584270 /nfs/dbraw/zinc/58/42/70/650584270.db2.gz CLNMNMXJNDFZBI-OAHLLOKOSA-N 1 0 398.345 2.412 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(c3ncnc4cccc(I)c43)C[C@@H]12 ZINC000515146441 650587538 /nfs/dbraw/zinc/58/75/38/650587538.db2.gz QJGOESBTNXORSR-HOSYDEDBSA-N 1 0 380.233 2.408 20 0 GEADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N(CCO)Cc1cccc(Br)c1 ZINC000515144742 650587596 /nfs/dbraw/zinc/58/75/96/650587596.db2.gz DDXCDDDUQHBBDC-DLBZAZTESA-N 1 0 396.329 2.341 20 0 GEADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000515165146 650587900 /nfs/dbraw/zinc/58/79/00/650587900.db2.gz ZULFWZPQPSCTGU-BDJLRTHQSA-N 1 0 382.291 2.089 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000515645994 650593190 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[NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cn1 ZINC000479764764 650609452 /nfs/dbraw/zinc/60/94/52/650609452.db2.gz UAHPANDVODVVPH-UHFFFAOYSA-N 1 0 384.299 2.384 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CCC[N@@H+]1C ZINC000479771837 650609858 /nfs/dbraw/zinc/60/98/58/650609858.db2.gz UUCUVSBMDQUENL-YPMHNXCESA-N 1 0 390.347 2.497 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)c(Br)c1 ZINC000479766742 650609877 /nfs/dbraw/zinc/60/98/77/650609877.db2.gz MPRMMTSOONEEDE-ZKCHVHJHSA-N 1 0 398.120 2.288 20 0 GEADRO COCc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)no1 ZINC000479869985 650611581 /nfs/dbraw/zinc/61/15/81/650611581.db2.gz AYNQIXSOLPEOEI-UHFFFAOYSA-N 1 0 397.273 2.183 20 0 GEADRO COc1cncc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000479940037 650612929 /nfs/dbraw/zinc/61/29/29/650612929.db2.gz LEXRLLHSNBBLNJ-UHFFFAOYSA-N 1 0 393.285 2.452 20 0 GEADRO Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+]2C)ccc1I ZINC000479970362 650613531 /nfs/dbraw/zinc/61/35/31/650613531.db2.gz QVZMHJGWUXNSMJ-ZDUSSCGKSA-N 1 0 387.265 2.493 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000521412843 650616862 /nfs/dbraw/zinc/61/68/62/650616862.db2.gz KQRMQUSYJXKLBS-ZFWWWQNUSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@H](CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[S@@](C)=O ZINC000480187346 650617481 /nfs/dbraw/zinc/61/74/81/650617481.db2.gz BTEYSOGJDLYNAP-REWMRKHYSA-N 1 0 394.356 2.414 20 0 GEADRO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480194922 650617543 /nfs/dbraw/zinc/61/75/43/650617543.db2.gz IGJHPOMQATTZPA-MZJFNTNISA-N 1 0 394.356 2.414 20 0 GEADRO Cc1nc(NC(=O)c2cn(CC[NH3+])nn2)sc1Cc1cccc(Cl)c1 ZINC000521668980 650618555 /nfs/dbraw/zinc/61/85/55/650618555.db2.gz QZGSTSNFRQUJOI-UHFFFAOYSA-N 1 0 376.873 2.498 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)CCOCC(F)(F)F ZINC000521687109 650618665 /nfs/dbraw/zinc/61/86/65/650618665.db2.gz JMDBTEOYBPEGPG-ZFWWWQNUSA-N 1 0 380.432 2.005 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@H](c2ccccc2)N2CCSCC2)CCSC1 ZINC000480275683 650618781 /nfs/dbraw/zinc/61/87/81/650618781.db2.gz QNNIAQKGAKHSHL-PKOBYXMFSA-N 1 0 379.595 2.330 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000521943653 650620426 /nfs/dbraw/zinc/62/04/26/650620426.db2.gz JXZKNMNDPPXVRK-IAGOWNOFSA-N 1 0 391.940 2.486 20 0 GEADRO Cc1nnc([C@@H]2CC[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)[nH]1 ZINC000521980050 650620794 /nfs/dbraw/zinc/62/07/94/650620794.db2.gz YLYJIDLFPYOSKI-BXUZGUMPSA-N 1 0 399.264 2.244 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000480446994 650622370 /nfs/dbraw/zinc/62/23/70/650622370.db2.gz SONWRIZMKNTVRR-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(Br)c1 ZINC000480530600 650624086 /nfs/dbraw/zinc/62/40/86/650624086.db2.gz VZXUXZCFWUJWMK-SNVBAGLBSA-N 1 0 377.304 2.219 20 0 GEADRO O=C(CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Br)cc1 ZINC000522290471 650624884 /nfs/dbraw/zinc/62/48/84/650624884.db2.gz YZNOKQDPEZPMNL-AWEZNQCLSA-N 1 0 395.301 2.314 20 0 GEADRO O=C1CCc2cc(OC[C@H](O)C[NH2+]Cc3ccc(Br)o3)ccc2N1 ZINC000480652975 650626844 /nfs/dbraw/zinc/62/68/44/650626844.db2.gz NZRGQSYPUHSZSX-GFCCVEGCSA-N 1 0 395.253 2.456 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480711810 650628973 /nfs/dbraw/zinc/62/89/73/650628973.db2.gz RKQHACGCRWTCBS-CQSZACIVSA-N 1 0 382.448 2.427 20 0 GEADRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1Br ZINC000480636758 650626240 /nfs/dbraw/zinc/62/62/40/650626240.db2.gz FDGRZNKLBVFLMF-UHFFFAOYSA-N 1 0 379.320 2.468 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000480848746 650634629 /nfs/dbraw/zinc/63/46/29/650634629.db2.gz VAULCQIRDCHYQH-XPTSAGLGSA-N 1 0 377.279 2.349 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1coc(Br)c1 ZINC000523482283 650635434 /nfs/dbraw/zinc/63/54/34/650635434.db2.gz DYPTXSULERKPRC-UHFFFAOYSA-N 1 0 375.263 2.388 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CCSC1 ZINC000481393271 650645827 /nfs/dbraw/zinc/64/58/27/650645827.db2.gz PCTMNPBIGNEOBL-ZDUSSCGKSA-N 1 0 384.445 2.301 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000524468594 650641702 /nfs/dbraw/zinc/64/17/02/650641702.db2.gz RTMOKHLZBRNFRD-GFCCVEGCSA-N 1 0 396.285 2.256 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cccc(Br)c2)CCSC1 ZINC000481342834 650644523 /nfs/dbraw/zinc/64/45/23/650644523.db2.gz SAZQXJVMTWDXLZ-ZDUSSCGKSA-N 1 0 379.345 2.165 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000524721200 650645568 /nfs/dbraw/zinc/64/55/68/650645568.db2.gz XSFRVKOOUJCZMI-ZIAGYGMSSA-N 1 0 394.313 2.260 20 0 GEADRO CN(CC(=O)NCC[NH2+]C(C)(C)C)C(=O)c1ccc(Br)s1 ZINC000524815955 650646610 /nfs/dbraw/zinc/64/66/10/650646610.db2.gz UZIFNJMRHVITIQ-UHFFFAOYSA-N 1 0 376.320 2.087 20 0 GEADRO C[C@H](OC[C@@H](O)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000524893431 650648098 /nfs/dbraw/zinc/64/80/98/650648098.db2.gz RXJNJXYUZLYAOA-VBQJREDUSA-N 1 0 375.918 2.145 20 0 GEADRO CC(C)(CNC(=O)CNC(=O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000481605630 650650647 /nfs/dbraw/zinc/65/06/47/650650647.db2.gz OICNYXOONNSPRW-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000482064629 650659121 /nfs/dbraw/zinc/65/91/21/650659121.db2.gz IXPDMFKQVYTATQ-IHRRRGAJSA-N 1 0 385.555 2.134 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000526026441 650663353 /nfs/dbraw/zinc/66/33/53/650663353.db2.gz ULFIZYWLOHIQMP-MRXNPFEDSA-N 1 0 392.297 2.180 20 0 GEADRO C[C@H](O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000526295976 650664312 /nfs/dbraw/zinc/66/43/12/650664312.db2.gz JFRQNZDHHORLDP-SLEUVZQESA-N 1 0 376.266 2.421 20 0 GEADRO COc1cc(I)c(Cl)cc1CNC(=O)C[NH+](C)C ZINC000482635781 650665775 /nfs/dbraw/zinc/66/57/75/650665775.db2.gz YBGDTCLQLPZAHH-UHFFFAOYSA-N 1 0 382.629 2.131 20 0 GEADRO O=C(C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1)N1CCNC(=O)C1 ZINC000482884540 650670204 /nfs/dbraw/zinc/67/02/04/650670204.db2.gz CCYGZZNIXMFZDV-UHFFFAOYSA-N 1 0 384.307 2.206 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000527224095 650671646 /nfs/dbraw/zinc/67/16/46/650671646.db2.gz OHPVBKOCIJDPGO-IUODEOHRSA-N 1 0 397.317 2.005 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483351996 650677279 /nfs/dbraw/zinc/67/72/79/650677279.db2.gz JKRPSVLXNGMYON-CABCVRRESA-N 1 0 396.329 2.397 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000483571096 650679930 /nfs/dbraw/zinc/67/99/30/650679930.db2.gz UZPSOQJUWZFKAC-UHFFFAOYSA-N 1 0 376.408 2.158 20 0 GEADRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cn1 ZINC000527956678 650683572 /nfs/dbraw/zinc/68/35/72/650683572.db2.gz RAPSYBLXIHXKIB-DYVFJYSZSA-N 1 0 384.318 2.111 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c1Br ZINC000483698340 650681235 /nfs/dbraw/zinc/68/12/35/650681235.db2.gz YSQCRXNTFJKMEB-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO COCC(=O)N1CCC([NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527654162 650681422 /nfs/dbraw/zinc/68/14/22/650681422.db2.gz RGPDPRUXKTWHFN-UHFFFAOYSA-N 1 0 376.682 2.225 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1sccc1Br ZINC000527751724 650682095 /nfs/dbraw/zinc/68/20/95/650682095.db2.gz APJUOLXAWZMKMX-HNNXBMFYSA-N 1 0 375.332 2.216 20 0 GEADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000527754733 650682398 /nfs/dbraw/zinc/68/23/98/650682398.db2.gz QHGAERNWZGFDTL-QGZVFWFLSA-N 1 0 387.293 2.294 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c1Br ZINC000483879024 650682699 /nfs/dbraw/zinc/68/26/99/650682699.db2.gz JJGUPQJBFYHJML-GFCCVEGCSA-N 1 0 386.265 2.292 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC1 ZINC000484248002 650686531 /nfs/dbraw/zinc/68/65/31/650686531.db2.gz WHMKJFLHLIYHCG-UHFFFAOYSA-N 1 0 398.276 2.032 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000528190062 650686545 /nfs/dbraw/zinc/68/65/45/650686545.db2.gz INKLKGVFZOUSNM-UHFFFAOYSA-N 1 0 380.290 2.183 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000484256606 650686609 /nfs/dbraw/zinc/68/66/09/650686609.db2.gz QOVVHOPHYCQAQF-VXGBXAGGSA-N 1 0 399.563 2.097 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000528300338 650687715 /nfs/dbraw/zinc/68/77/15/650687715.db2.gz GXDSTNRVVWTJOK-LBPRGKRZSA-N 1 0 382.452 2.228 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2c(OC)cccc2OC(F)(F)F)CC1 ZINC000528301079 650687724 /nfs/dbraw/zinc/68/77/24/650687724.db2.gz PPBMHJPUPDRJRD-UHFFFAOYSA-N 1 0 382.404 2.356 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000484604952 650687795 /nfs/dbraw/zinc/68/77/95/650687795.db2.gz KYOJVXULKXFVTI-JTQLQIEISA-N 1 0 386.677 2.394 20 0 GEADRO CS[C@@H]1CN([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000484623743 650687871 /nfs/dbraw/zinc/68/78/71/650687871.db2.gz RNWIMSBDCPDMEP-XHSDSOJGSA-N 1 0 398.370 2.487 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000484647297 650688436 /nfs/dbraw/zinc/68/84/36/650688436.db2.gz YJGLSMHTEGFCSY-CHWSQXEVSA-N 1 0 393.228 2.449 20 0 GEADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]3C[C@@]3(C)Br)cc21 ZINC000528311214 650688628 /nfs/dbraw/zinc/68/86/28/650688628.db2.gz KZEVYULWDKAGCU-MEDUHNTESA-N 1 0 382.258 2.268 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528343242 650689612 /nfs/dbraw/zinc/68/96/12/650689612.db2.gz VXHRVWRSCPIUBS-GRYCIOLGSA-N 1 0 382.452 2.084 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000528362285 650690894 /nfs/dbraw/zinc/69/08/94/650690894.db2.gz DAEQBVNQGPUIKN-UHFFFAOYSA-N 1 0 382.404 2.309 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)cc2OC)C[C@H]1C ZINC000484753469 650690018 /nfs/dbraw/zinc/69/00/18/650690018.db2.gz OUYFPJSCRHVIMF-NEPJUHHUSA-N 1 0 390.527 2.037 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccsc2C(F)(F)F)CC1 ZINC000528352565 650690198 /nfs/dbraw/zinc/69/01/98/650690198.db2.gz IBKXCXWVKFISIO-GFCCVEGCSA-N 1 0 375.416 2.321 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000527998642 650684087 /nfs/dbraw/zinc/68/40/87/650684087.db2.gz BMUCDZZKVFWGET-WBMJQRKESA-N 1 0 390.281 2.416 20 0 GEADRO CC[C@@H](C(=O)NC[C@@H](O)COc1ccccc1Br)[NH+](CC)CC ZINC000483996194 650684165 /nfs/dbraw/zinc/68/41/65/650684165.db2.gz WJIJGTLTKDJJLM-HIFRSBDPSA-N 1 0 387.318 2.425 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C[NH3+])c(Cl)cc21 ZINC000528045625 650684694 /nfs/dbraw/zinc/68/46/94/650684694.db2.gz QMWCLLDPOUPANF-DZGCQCFKSA-N 1 0 385.917 2.045 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCC[C@H]3C[NH3+])c(Cl)cc21 ZINC000528045633 650684706 /nfs/dbraw/zinc/68/47/06/650684706.db2.gz QMWCLLDPOUPANF-ZFWWWQNUSA-N 1 0 385.917 2.045 20 0 GEADRO CSC1(CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)CC[NH+](C)CC1 ZINC000484955279 650691380 /nfs/dbraw/zinc/69/13/80/650691380.db2.gz SOAZONLNSHZFKG-UHFFFAOYSA-N 1 0 390.958 2.301 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000528686813 650697876 /nfs/dbraw/zinc/69/78/76/650697876.db2.gz NFRTUNNIWXFORK-CYBMUJFWSA-N 1 0 375.441 2.489 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528466134 650694576 /nfs/dbraw/zinc/69/45/76/650694576.db2.gz SSGRTQDAEMITTD-FPMFFAJLSA-N 1 0 386.359 2.366 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1cc(Br)c(C)nc1OC ZINC000485471146 650696844 /nfs/dbraw/zinc/69/68/44/650696844.db2.gz XYYUDYQSCUCTPI-UHFFFAOYSA-N 1 0 388.306 2.249 20 0 GEADRO COc1nc(C)c(Br)cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000485468687 650696850 /nfs/dbraw/zinc/69/68/50/650696850.db2.gz SXRPTUCAPMZDTQ-OAHLLOKOSA-N 1 0 388.331 2.328 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1cc(Br)ccc1N1CCCC1 ZINC000528683896 650697688 /nfs/dbraw/zinc/69/76/88/650697688.db2.gz ROUNNLJMQGEIDE-ZDUSSCGKSA-N 1 0 383.290 2.159 20 0 GEADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000485688839 650699052 /nfs/dbraw/zinc/69/90/52/650699052.db2.gz BHSBCYKAJPIVOJ-OCCSQVGLSA-N 1 0 390.274 2.073 20 0 GEADRO O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000528954606 650699964 /nfs/dbraw/zinc/69/99/64/650699964.db2.gz ZWRGAGGRXHFSOP-UHFFFAOYSA-N 1 0 387.307 2.222 20 0 GEADRO C[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Oc1cccc(Br)c1 ZINC000485801259 650700487 /nfs/dbraw/zinc/70/04/87/650700487.db2.gz YXZYHRPDNUZMBI-NEPJUHHUSA-N 1 0 393.285 2.446 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1cc(F)c(Br)cc1F ZINC000529339998 650702844 /nfs/dbraw/zinc/70/28/44/650702844.db2.gz GVQZPJCEGZFEFB-IUCAKERBSA-N 1 0 378.217 2.076 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(F)c(Br)cc1F ZINC000529755315 650706799 /nfs/dbraw/zinc/70/67/99/650706799.db2.gz ZBOWRNIZTKHHMV-BMIGLBTASA-N 1 0 388.256 2.294 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(Br)c(F)c1F ZINC000529878697 650708420 /nfs/dbraw/zinc/70/84/20/650708420.db2.gz TULMDVVLKQCISJ-SNVBAGLBSA-N 1 0 377.229 2.312 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000486204703 650708515 /nfs/dbraw/zinc/70/85/15/650708515.db2.gz PJFJZQMJSLFPIE-KOLCDFICSA-N 1 0 378.279 2.209 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000486446425 650713845 /nfs/dbraw/zinc/71/38/45/650713845.db2.gz NJZSXUSDLCAOMM-GXSJLCMTSA-N 1 0 389.880 2.056 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cnn2cc(Br)cnc12 ZINC000530022024 650710610 /nfs/dbraw/zinc/71/06/10/650710610.db2.gz BXSWGMITEKCYFW-CYBMUJFWSA-N 1 0 378.274 2.239 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)COc1cccc(I)c1 ZINC000486331428 650711581 /nfs/dbraw/zinc/71/15/81/650711581.db2.gz YHZASHLEQAJARP-UHFFFAOYSA-N 1 0 390.265 2.469 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1I ZINC000530229276 650718905 /nfs/dbraw/zinc/71/89/05/650718905.db2.gz DUISDPDPFIGGQU-CQSZACIVSA-N 1 0 387.265 2.160 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000486710395 650719767 /nfs/dbraw/zinc/71/97/67/650719767.db2.gz OSOYFHXYRWAIRF-DZGCQCFKSA-N 1 0 398.320 2.430 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CC1(C(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000486813781 650723115 /nfs/dbraw/zinc/72/31/15/650723115.db2.gz RBIXUJRPWBKPAF-ZDUSSCGKSA-N 1 0 384.464 2.077 20 0 GEADRO CC[C@@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)[NH+](CC)CC ZINC000530569144 650727014 /nfs/dbraw/zinc/72/70/14/650727014.db2.gz ATSPULMOZQWEDG-HNNXBMFYSA-N 1 0 384.318 2.416 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)nc12 ZINC000487143752 650729642 /nfs/dbraw/zinc/72/96/42/650729642.db2.gz XHHNLZIDYHIVER-IUODEOHRSA-N 1 0 379.302 2.262 20 0 GEADRO COc1ccc(Br)cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000530917936 650731017 /nfs/dbraw/zinc/73/10/17/650731017.db2.gz CXLYKTKZEFLUAI-ZDUSSCGKSA-N 1 0 383.286 2.252 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000530990146 650732577 /nfs/dbraw/zinc/73/25/77/650732577.db2.gz PTECYPLMRPPKIS-CYBMUJFWSA-N 1 0 378.464 2.458 20 0 GEADRO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(=O)c1ccc(Br)o1 ZINC000487460868 650734141 /nfs/dbraw/zinc/73/41/41/650734141.db2.gz LKTXZUSFKZDULA-VXGBXAGGSA-N 1 0 386.290 2.103 20 0 GEADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000531136349 650735478 /nfs/dbraw/zinc/73/54/78/650735478.db2.gz ZEESCYVXAMHZQZ-UHFFFAOYSA-N 1 0 381.523 2.425 20 0 GEADRO C[C@H]1[C@@H](NC(=O)N(CCO)Cc2cccc(Br)c2)CCC[N@@H+]1C ZINC000487555378 650735477 /nfs/dbraw/zinc/73/54/77/650735477.db2.gz GGMLOGRZYBMLID-BBRMVZONSA-N 1 0 384.318 2.436 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cnc2ccsc2c1 ZINC000531212306 650736318 /nfs/dbraw/zinc/73/63/18/650736318.db2.gz NDFXNTIPIMRMHT-UHFFFAOYSA-N 1 0 381.523 2.220 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CCSC1 ZINC000531362716 650737428 /nfs/dbraw/zinc/73/74/28/650737428.db2.gz MORVMWLXMPHACB-MRXNPFEDSA-N 1 0 390.336 2.277 20 0 GEADRO C[NH+]1CCC(CCNC(=O)NCC(=O)Nc2cccc(Br)c2)CC1 ZINC000487960407 650740054 /nfs/dbraw/zinc/74/00/54/650740054.db2.gz UGEYVFGOMSCPNX-UHFFFAOYSA-N 1 0 397.317 2.419 20 0 GEADRO C[N@H+](CC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@H]1CCSC1 ZINC000488290734 650744247 /nfs/dbraw/zinc/74/42/47/650744247.db2.gz DSHCWDSORJMOSA-AWEZNQCLSA-N 1 0 387.347 2.246 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCOC[C@@H]1C ZINC000531705601 650742891 /nfs/dbraw/zinc/74/28/91/650742891.db2.gz WYQMHDLJBFZOHQ-KBPBESRZSA-N 1 0 384.318 2.477 20 0 GEADRO C[NH+](C)Cc1ccc(CNC(=O)CNC(=O)c2ccc(Br)o2)cc1 ZINC000008431058 642352107 /nfs/dbraw/zinc/35/21/07/642352107.db2.gz WFBXNJQEROXMKZ-UHFFFAOYSA-N 1 0 394.269 2.150 20 0 GEADRO CC[NH+](CC)CCN(C(=S)Nc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000011047306 642365962 /nfs/dbraw/zinc/36/59/62/642365962.db2.gz UBGFEIQWGLKPOW-CQSZACIVSA-N 1 0 387.546 2.353 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CS[C@H](C(C)C)C2)c1 ZINC000488424107 650746176 /nfs/dbraw/zinc/74/61/76/650746176.db2.gz CGBUGYAPUUSRRC-NOLJZWGESA-N 1 0 385.555 2.041 20 0 GEADRO Cn1nnc2cc(C[NH2+]CCNC(=O)c3ccc(Br)cc3)ccc21 ZINC000532212321 650746310 /nfs/dbraw/zinc/74/63/10/650746310.db2.gz MGRDOYPIBSBIPI-UHFFFAOYSA-N 1 0 388.269 2.250 20 0 GEADRO CC[NH+]1CCN(c2ccc(N3C(=O)[C@H](CCSC)NC3=S)cc2)CC1 ZINC000015252164 642379328 /nfs/dbraw/zinc/37/93/28/642379328.db2.gz FBXLHSINBZZBDY-INIZCTEOSA-N 1 0 378.567 2.171 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000532232833 650746729 /nfs/dbraw/zinc/74/67/29/650746729.db2.gz HRYTXHRPPKBXBM-NSHDSACASA-N 1 0 391.269 2.450 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000015377650 642380628 /nfs/dbraw/zinc/38/06/28/642380628.db2.gz NLMFTCRGVLRQKA-BETUJISGSA-N 1 0 382.302 2.482 20 0 GEADRO O=c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)nc2ccc(Br)cn12 ZINC000532646706 650751706 /nfs/dbraw/zinc/75/17/06/650751706.db2.gz GIDDGWQCAGXJEZ-DOMZBBRYSA-N 1 0 378.270 2.458 20 0 GEADRO CN(CCC[NH+]1CCCC1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532479041 650748600 /nfs/dbraw/zinc/74/86/00/650748600.db2.gz MYBJNWMFTZMUOR-UHFFFAOYSA-N 1 0 379.302 2.375 20 0 GEADRO COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000488816091 650751086 /nfs/dbraw/zinc/75/10/86/650751086.db2.gz KXNACOSXHLIDKB-ZDUSSCGKSA-N 1 0 383.286 2.252 20 0 GEADRO CC[NH+]1CCC(NC(=O)COc2cc(C=O)c(Br)cc2OC)CC1 ZINC000029977000 642472470 /nfs/dbraw/zinc/47/24/70/642472470.db2.gz JAMHOXXILNNJPZ-UHFFFAOYSA-N 1 0 399.285 2.250 20 0 GEADRO O=C(NCc1n[nH]cc1Br)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000533306856 650759530 /nfs/dbraw/zinc/75/95/30/650759530.db2.gz NNEXBBOEGVPXHJ-ABAIWWIYSA-N 1 0 382.306 2.331 20 0 GEADRO C[C@@H](NC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000489885011 650765132 /nfs/dbraw/zinc/76/51/32/650765132.db2.gz OSMQFJMCHBDBSS-HIFRSBDPSA-N 1 0 385.339 2.150 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2Br)C[C@H](C)O1 ZINC000041275460 642527948 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COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000490043236 650766855 /nfs/dbraw/zinc/76/68/55/650766855.db2.gz BDVIJFWIECSVNG-OLZOCXBDSA-N 1 0 378.922 2.230 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCC[N@@H+](C)C(C)C ZINC000042203169 642545320 /nfs/dbraw/zinc/54/53/20/642545320.db2.gz AVZOARKIJMTOJK-AWEZNQCLSA-N 1 0 376.954 2.024 20 0 GEADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000533518630 650761279 /nfs/dbraw/zinc/76/12/79/650761279.db2.gz ZFWGECLKIONXCH-HNNXBMFYSA-N 1 0 380.432 2.488 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000043935881 642566575 /nfs/dbraw/zinc/56/65/75/642566575.db2.gz YFBOYPLDKRAVRC-UHFFFAOYSA-N 1 0 385.555 2.135 20 0 GEADRO C[NH+](C)CCNC(=S)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000044232566 642571128 /nfs/dbraw/zinc/57/11/28/642571128.db2.gz ZJWHPNKQYWFNPD-UHFFFAOYSA-N 1 0 384.933 2.132 20 0 GEADRO CCCOc1ccc(Br)cc1C[NH2+]CCCNS(C)(=O)=O ZINC000044862177 642582948 /nfs/dbraw/zinc/58/29/48/642582948.db2.gz MNLWZYYWUYPNPW-UHFFFAOYSA-N 1 0 379.320 2.267 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046036426 642602842 /nfs/dbraw/zinc/60/28/42/642602842.db2.gz SCFKQAXWPRMDGP-CHWSQXEVSA-N 1 0 389.315 2.363 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)C[C@H]1[NH+](C)C ZINC000534171024 650769925 /nfs/dbraw/zinc/76/99/25/650769925.db2.gz JETUCVNSXHKKKN-COLVAYQJSA-N 1 0 390.958 2.330 20 0 GEADRO CC(C)[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000490304108 650771253 /nfs/dbraw/zinc/77/12/53/650771253.db2.gz ZOZVXWRILSFLPH-CZUORRHYSA-N 1 0 396.329 2.366 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000046952452 642620879 /nfs/dbraw/zinc/62/08/79/642620879.db2.gz IJVYASLCFMRAQR-STQMWFEESA-N 1 0 387.933 2.098 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000048606106 642656093 /nfs/dbraw/zinc/65/60/93/642656093.db2.gz FIYCCZCBGMYYCK-UHFFFAOYSA-N 1 0 381.782 2.288 20 0 GEADRO COc1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1Br ZINC000533965509 650767769 /nfs/dbraw/zinc/76/77/69/650767769.db2.gz PORXPILXUIAVRG-UHFFFAOYSA-N 1 0 385.302 2.377 20 0 GEADRO COCCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@@H]1CCOC1 ZINC000490086332 650767844 /nfs/dbraw/zinc/76/78/44/650767844.db2.gz YHYXCZHPHDVSJC-XJKSGUPXSA-N 1 0 385.302 2.364 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](C)C[NH+]1CCCC1 ZINC000048749236 642661560 /nfs/dbraw/zinc/66/15/60/642661560.db2.gz WQGOXTKWJSSBBY-DZGCQCFKSA-N 1 0 388.965 2.026 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000049993032 642673569 /nfs/dbraw/zinc/67/35/69/642673569.db2.gz HNCOMRXHMDYTSZ-DLBZAZTESA-N 1 0 380.330 2.306 20 0 GEADRO O=S(=O)(c1cnn(CC(F)F)c1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000490626430 650777473 /nfs/dbraw/zinc/77/74/73/650777473.db2.gz HEBNDQHHCSPVKX-UHFFFAOYSA-N 1 0 376.473 2.035 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000534683351 650779792 /nfs/dbraw/zinc/77/97/92/650779792.db2.gz MXOLQRZUXFTEET-GFCCVEGCSA-N 1 0 380.290 2.490 20 0 GEADRO Cc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1Br ZINC000054082185 642747035 /nfs/dbraw/zinc/74/70/35/642747035.db2.gz NFTUTOMHUMDBBB-UHFFFAOYSA-N 1 0 378.274 2.270 20 0 GEADRO CS[C@@H]1CN(C(=O)c2csc(I)c2)C[C@H]1[NH+](C)C ZINC000534828326 650780878 /nfs/dbraw/zinc/78/08/78/650780878.db2.gz YKPOPQLJSRGCQL-NXEZZACHSA-N 1 0 396.319 2.470 20 0 GEADRO CCC(=O)N[C@H](CCSC)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000054776186 642759280 /nfs/dbraw/zinc/75/92/80/642759280.db2.gz LUNVTOMXGZNFPO-OAHLLOKOSA-N 1 0 387.615 2.112 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000055004775 642767196 /nfs/dbraw/zinc/76/71/96/642767196.db2.gz QJRHKIMOULYDOJ-OAHLLOKOSA-N 1 0 380.583 2.173 20 0 GEADRO CCOc1c(Br)cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000491228439 650784369 /nfs/dbraw/zinc/78/43/69/650784369.db2.gz QPPANPOONXWWGX-HNNXBMFYSA-N 1 0 398.345 2.336 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC000491285972 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CCCC[N@H+](C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000112308947 643360602 /nfs/dbraw/zinc/36/06/02/643360602.db2.gz NEYUYNRHOXKGRA-UHFFFAOYSA-N 1 0 375.922 2.052 20 0 GEADRO C[C@@H](CNC(=O)[C@H](C)Oc1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000112403812 643361775 /nfs/dbraw/zinc/36/17/75/643361775.db2.gz URQGNSRMHYPBDF-GJZGRUSLSA-N 1 0 398.345 2.216 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1nccs1 ZINC000112533115 643364655 /nfs/dbraw/zinc/36/46/55/643364655.db2.gz QHWNFIHVWMPJSL-RYUDHWBXSA-N 1 0 382.511 2.071 20 0 GEADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)CC2 ZINC000112549792 643365243 /nfs/dbraw/zinc/36/52/43/643365243.db2.gz LESFUEXSGBAFRS-JQWIXIFHSA-N 1 0 378.274 2.281 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2ccnc(SCC(F)(F)F)c2)CC1 ZINC000112728632 643372095 /nfs/dbraw/zinc/37/20/95/643372095.db2.gz KNBIBRKUIHIIAK-UHFFFAOYSA-N 1 0 376.448 2.103 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000538314464 650834474 /nfs/dbraw/zinc/83/44/74/650834474.db2.gz IDXXAXVBMALZIM-ZDUSSCGKSA-N 1 0 382.302 2.212 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000112917940 643377335 /nfs/dbraw/zinc/37/73/35/643377335.db2.gz BYKOPSTWNFNRBG-UHFFFAOYSA-N 1 0 379.302 2.298 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncnc3ccc(Br)cc32)C1 ZINC000112965849 643379204 /nfs/dbraw/zinc/37/92/04/643379204.db2.gz IBDDIUGUJYUMBA-GFCCVEGCSA-N 1 0 392.301 2.392 20 0 GEADRO Cc1ccc(OCCC(=O)N2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000497501079 650835469 /nfs/dbraw/zinc/83/54/69/650835469.db2.gz QAFWGKZGBILYRK-UHFFFAOYSA-N 1 0 398.345 2.232 20 0 GEADRO CNC(=O)c1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1 ZINC000113354482 643395112 /nfs/dbraw/zinc/39/51/12/643395112.db2.gz GBUJOFUWUCVGLL-UHFFFAOYSA-N 1 0 390.281 2.328 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000113379423 643395405 /nfs/dbraw/zinc/39/54/05/643395405.db2.gz JASCSPKCVDEZIR-HZPDHXFCSA-N 1 0 375.579 2.257 20 0 GEADRO CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000113382326 643396134 /nfs/dbraw/zinc/39/61/34/643396134.db2.gz UZQALPAFJHNMHW-HOTGVXAUSA-N 1 0 375.579 2.352 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000113453602 643398393 /nfs/dbraw/zinc/39/83/93/643398393.db2.gz NIVINNBMTULOBT-JTQLQIEISA-N 1 0 376.213 2.454 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(F)cc2I)C1 ZINC000113452663 643398611 /nfs/dbraw/zinc/39/86/11/643398611.db2.gz LEPGAJHFGRBWPU-SNVBAGLBSA-N 1 0 376.213 2.454 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)cs1 ZINC000497570029 650836899 /nfs/dbraw/zinc/83/68/99/650836899.db2.gz YQGWQSKPIRLDMF-UHFFFAOYSA-N 1 0 386.539 2.468 20 0 GEADRO CC(C)C[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)[NH+](C)C ZINC000114377728 643415892 /nfs/dbraw/zinc/41/58/92/643415892.db2.gz HMCDYIIHAFIEGN-HNNXBMFYSA-N 1 0 389.949 2.101 20 0 GEADRO COC(=O)CC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000497742645 650839403 /nfs/dbraw/zinc/83/94/03/650839403.db2.gz UBBSDNUNDDSJSY-OAHLLOKOSA-N 1 0 386.286 2.464 20 0 GEADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(I)c[nH]1 ZINC000115328944 643434995 /nfs/dbraw/zinc/43/49/95/643434995.db2.gz GFTNQKJVUOTCIG-UHFFFAOYSA-N 1 0 395.244 2.407 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115585715 643442552 /nfs/dbraw/zinc/44/25/52/643442552.db2.gz WKKQWDHXRJAZBP-LBPRGKRZSA-N 1 0 391.331 2.420 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115585717 643442677 /nfs/dbraw/zinc/44/26/77/643442677.db2.gz WKKQWDHXRJAZBP-GFCCVEGCSA-N 1 0 391.331 2.420 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)CCn1cc(Br)ccc1=O)C(C)(C)C ZINC000116231671 643455044 /nfs/dbraw/zinc/45/50/44/643455044.db2.gz OBUXBNFJCPROQP-CQSZACIVSA-N 1 0 386.334 2.484 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1nc2c(s1)CSCC2)[N@@H+]1CCCC[C@H]1C ZINC000497915401 650841326 /nfs/dbraw/zinc/84/13/26/650841326.db2.gz FEVFSGKBBGIDLB-NEPJUHHUSA-N 1 0 382.555 2.250 20 0 GEADRO COc1cc(F)c(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000116371764 643461912 /nfs/dbraw/zinc/46/19/12/643461912.db2.gz AQEOTGIVNUZSEK-MRXNPFEDSA-N 1 0 376.494 2.488 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(OC)c1 ZINC000539049253 650841423 /nfs/dbraw/zinc/84/14/23/650841423.db2.gz FMKQKNJRHOLDHU-QWHCGFSZSA-N 1 0 385.507 2.251 20 0 GEADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000118093869 643504973 /nfs/dbraw/zinc/50/49/73/643504973.db2.gz RNVJOSHXMVYXAC-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000118670211 643518991 /nfs/dbraw/zinc/51/89/91/643518991.db2.gz FWBBBAYGOPMWQC-LBPRGKRZSA-N 1 0 377.304 2.172 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000118897054 643525568 /nfs/dbraw/zinc/52/55/68/643525568.db2.gz DNXKQMRWYWBZQC-UHFFFAOYSA-N 1 0 386.290 2.100 20 0 GEADRO Cn1cccc1C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000119008367 643530275 /nfs/dbraw/zinc/53/02/75/643530275.db2.gz KCVDSAPPKWKZLA-CQSZACIVSA-N 1 0 386.233 2.159 20 0 GEADRO O=C(C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)Nc1ccc(Br)cc1 ZINC000119035163 643531587 /nfs/dbraw/zinc/53/15/87/643531587.db2.gz CGHHQPJHARRSPE-CYBMUJFWSA-N 1 0 378.274 2.391 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccnc(SCC(F)(F)F)c3)[C@@H]2C1 ZINC000498054403 650846601 /nfs/dbraw/zinc/84/66/01/650846601.db2.gz KMXUKTHUCVDPRF-CHWSQXEVSA-N 1 0 375.416 2.281 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000119369066 643549012 /nfs/dbraw/zinc/54/90/12/643549012.db2.gz LZDWYYOPJAIEDI-UHFFFAOYSA-N 1 0 382.873 2.333 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)NCCCC[NH+]2CCC(C)CC2)s1 ZINC000119378612 643549729 /nfs/dbraw/zinc/54/97/29/643549729.db2.gz SMFMTHLUUCSZRO-UHFFFAOYSA-N 1 0 387.571 2.175 20 0 GEADRO C[NH+](C)CCn1c2cc(NC(=O)C[C@@H]3CSCCS3)ccc2oc1=O ZINC000119584234 643558995 /nfs/dbraw/zinc/55/89/95/643558995.db2.gz JOIYGTANQSOOKI-CYBMUJFWSA-N 1 0 381.523 2.333 20 0 GEADRO C[N@H+](CC(=O)NCc1cc2c(c(Br)c1)OCO2)[C@@H]1CCSC1 ZINC000119911519 643579057 /nfs/dbraw/zinc/57/90/57/643579057.db2.gz RCJJPPYSEXCSHK-LLVKDONJSA-N 1 0 387.299 2.231 20 0 GEADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000119981129 643583595 /nfs/dbraw/zinc/58/35/95/643583595.db2.gz KNPOJGGSTUQPDE-HNNXBMFYSA-N 1 0 381.519 2.183 20 0 GEADRO Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(Br)n1 ZINC000120009820 643584875 /nfs/dbraw/zinc/58/48/75/643584875.db2.gz FDBZXPFQUNBNKW-UHFFFAOYSA-N 1 0 382.302 2.337 20 0 GEADRO CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H]1CCCC[C@@H]1C ZINC000120068037 643589720 /nfs/dbraw/zinc/58/97/20/643589720.db2.gz CERCTLSVWYRBER-DLBZAZTESA-N 1 0 375.579 2.063 20 0 GEADRO [NH3+][C@@H](CC(F)F)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000498207804 650851049 /nfs/dbraw/zinc/85/10/49/650851049.db2.gz KGXLNMVQLVHRQY-NSHDSACASA-N 1 0 381.832 2.046 20 0 GEADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000498209216 650851077 /nfs/dbraw/zinc/85/10/77/650851077.db2.gz XQYQWIDUCWUBOF-LBPRGKRZSA-N 1 0 380.222 2.260 20 0 GEADRO [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000498211028 650851496 /nfs/dbraw/zinc/85/14/96/650851496.db2.gz COBWSTVTTDDVSL-PSASIEDQSA-N 1 0 386.752 2.431 20 0 GEADRO [NH3+][C@H](CC(F)F)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000498214966 650851533 /nfs/dbraw/zinc/85/15/33/650851533.db2.gz AKXMSDGECBCGSQ-SSDOTTSWSA-N 1 0 376.091 2.490 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@H]([NH3+])CC(F)F)n2)cc1 ZINC000498216680 650851875 /nfs/dbraw/zinc/85/18/75/650851875.db2.gz OHYHLIOAGHBSEO-SNVBAGLBSA-N 1 0 390.437 2.103 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1ccc(Cl)nc1 ZINC000120419164 643606085 /nfs/dbraw/zinc/60/60/85/643606085.db2.gz BNVQDKISTWPSIA-UHFFFAOYSA-N 1 0 382.917 2.151 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)COc2ccccc2Br)CC1 ZINC000120426644 643606722 /nfs/dbraw/zinc/60/67/22/643606722.db2.gz PTGCJGMMXWWUKN-UHFFFAOYSA-N 1 0 398.345 2.362 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000120451940 643608759 /nfs/dbraw/zinc/60/87/59/643608759.db2.gz HSOBXIFVGVLASF-JQWIXIFHSA-N 1 0 386.265 2.468 20 0 GEADRO COc1cc(CN2CC[NH+](CCO)CC2)cc(Br)c1OC(F)F ZINC000120512216 643613791 /nfs/dbraw/zinc/61/37/91/643613791.db2.gz LBGGNYLWGRXPQI-UHFFFAOYSA-N 1 0 395.244 2.169 20 0 GEADRO COc1ccc(Br)cc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000120529869 643616879 /nfs/dbraw/zinc/61/68/79/643616879.db2.gz NLZQVKFBJDDFAR-UHFFFAOYSA-N 1 0 398.345 2.461 20 0 GEADRO CCN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000120555743 643618812 /nfs/dbraw/zinc/61/88/12/643618812.db2.gz ZBMUOWZBLUGOED-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000120565301 643619348 /nfs/dbraw/zinc/61/93/48/643619348.db2.gz PXGYMKNCHCZAJF-DGCLKSJQSA-N 1 0 398.301 2.337 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000122095716 643650562 /nfs/dbraw/zinc/65/05/62/643650562.db2.gz HRVQLVDWTDQUDO-ZDUSSCGKSA-N 1 0 387.933 2.004 20 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JVHIXJWAGSWJQD-UHFFFAOYSA-N 1 0 396.289 2.096 20 0 GEADRO O=C(Nc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1)c1ccc(Br)o1 ZINC000126255416 643726383 /nfs/dbraw/zinc/72/63/83/643726383.db2.gz NIXFTUNLXMGDML-GFCCVEGCSA-N 1 0 378.226 2.386 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c(F)cc1Br ZINC000498690036 650862654 /nfs/dbraw/zinc/86/26/54/650862654.db2.gz WQAOAYJBRPXZKT-CQSZACIVSA-N 1 0 386.265 2.292 20 0 GEADRO CC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000498748222 650864083 /nfs/dbraw/zinc/86/40/83/650864083.db2.gz WTHJKFQIMGHLAB-ZDUSSCGKSA-N 1 0 382.302 2.178 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000498717588 650863205 /nfs/dbraw/zinc/86/32/05/650863205.db2.gz MWRWEZJDIDMKOK-BBRMVZONSA-N 1 0 394.313 2.355 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)cc1 ZINC000127206087 643763426 /nfs/dbraw/zinc/76/34/26/643763426.db2.gz WHBKYMLAGAGAQG-GJZGRUSLSA-N 1 0 390.571 2.191 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)c[nH]2)[C@H](C)C1 ZINC000127342539 643771588 /nfs/dbraw/zinc/77/15/88/643771588.db2.gz DQYRINQAAUPTJA-MFKMUULPSA-N 1 0 375.254 2.422 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(C)cc(Br)c2)CC1 ZINC000127348786 643772182 /nfs/dbraw/zinc/77/21/82/643772182.db2.gz CDIBTQOZUSLTMK-UHFFFAOYSA-N 1 0 396.329 2.384 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000127347838 643772210 /nfs/dbraw/zinc/77/22/10/643772210.db2.gz PMTLMUIBFHESMW-RYUDHWBXSA-N 1 0 376.906 2.479 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000128040305 643790612 /nfs/dbraw/zinc/79/06/12/643790612.db2.gz CTPXACPZQBSARE-UHFFFAOYSA-N 1 0 386.290 2.209 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000130738890 643848589 /nfs/dbraw/zinc/84/85/89/643848589.db2.gz WNXPTPKBTGDDHN-AWEZNQCLSA-N 1 0 387.311 2.248 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000130757077 643849907 /nfs/dbraw/zinc/84/99/07/643849907.db2.gz DNFKEJGDKVLLAE-CQSZACIVSA-N 1 0 387.933 2.242 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)CSc2cccc(Br)c2)CC1 ZINC000499197720 650875990 /nfs/dbraw/zinc/87/59/90/650875990.db2.gz OLFMXPAXMQQEFP-UHFFFAOYSA-N 1 0 386.359 2.247 20 0 GEADRO CCN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@H](C)CS(=O)(=O)CC ZINC000131088785 643863450 /nfs/dbraw/zinc/86/34/50/643863450.db2.gz STTQSGZAWYGFFN-IAGOWNOFSA-N 1 0 375.579 2.209 20 0 GEADRO C[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000541230880 650871851 /nfs/dbraw/zinc/87/18/51/650871851.db2.gz DJBFZCFRBFPGLB-CFUBCSQMSA-N 1 0 384.929 2.115 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C1 ZINC000541248057 650872585 /nfs/dbraw/zinc/87/25/85/650872585.db2.gz XOLHYFJTGCVNRS-STQMWFEESA-N 1 0 387.933 2.085 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000134882175 643907861 /nfs/dbraw/zinc/90/78/61/643907861.db2.gz KRANFOWNGPQKJF-ZDUSSCGKSA-N 1 0 392.301 2.444 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccncc2Br)CC1 ZINC000151309886 643936494 /nfs/dbraw/zinc/93/64/94/643936494.db2.gz HAVYBLCUPHDYPY-GASCZTMLSA-N 1 0 395.345 2.475 20 0 GEADRO Cn1cc(Br)cc1C[N@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000151631411 643950436 /nfs/dbraw/zinc/95/04/36/643950436.db2.gz DXWZBLVCENZION-UHFFFAOYSA-N 1 0 386.315 2.110 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Br)c1 ZINC000151917804 643961268 /nfs/dbraw/zinc/96/12/68/643961268.db2.gz AILQLDAMTTWDCH-WDEREUQCSA-N 1 0 396.285 2.138 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000153218725 643980865 /nfs/dbraw/zinc/98/08/65/643980865.db2.gz PYFHEJRIROHDCF-UHFFFAOYSA-N 1 0 376.682 2.499 20 0 GEADRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(I)cc1 ZINC000153208150 643980971 /nfs/dbraw/zinc/98/09/71/643980971.db2.gz DAMLQSWJWCKSOU-LLVKDONJSA-N 1 0 388.249 2.224 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@@H]1COC(=O)C1 ZINC000153240224 643982829 /nfs/dbraw/zinc/98/28/29/643982829.db2.gz JDQXQSRGZOMYIX-AWEZNQCLSA-N 1 0 383.286 2.293 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nc3c(s2)CSCC3)C[C@@H]1C ZINC000499384403 650881628 /nfs/dbraw/zinc/88/16/28/650881628.db2.gz RBWFSBKZQWIOTC-NWDGAFQWSA-N 1 0 382.555 2.202 20 0 GEADRO COc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1I ZINC000153469843 643987644 /nfs/dbraw/zinc/98/76/44/643987644.db2.gz DMKBTTBQMDZBII-LLVKDONJSA-N 1 0 388.249 2.371 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000153667965 643999294 /nfs/dbraw/zinc/99/92/94/643999294.db2.gz TWKLFXJWRUXEPC-UHFFFAOYSA-N 1 0 376.245 2.095 20 0 GEADRO CSCC[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1nnc2ccccn21 ZINC000153747965 644003481 /nfs/dbraw/zinc/00/34/81/644003481.db2.gz GUCKGXASGYMLPY-ZIAGYGMSSA-N 1 0 379.555 2.077 20 0 GEADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000154017871 644015503 /nfs/dbraw/zinc/01/55/03/644015503.db2.gz MTKFDPBPCNGIKQ-AWEZNQCLSA-N 1 0 396.329 2.417 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000154147692 644021478 /nfs/dbraw/zinc/02/14/78/644021478.db2.gz YTYXAHFJHKKFKD-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000154327394 644035754 /nfs/dbraw/zinc/03/57/54/644035754.db2.gz JPKDUPGICWLUIU-AWEZNQCLSA-N 1 0 396.329 2.416 20 0 GEADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000154517269 644048310 /nfs/dbraw/zinc/04/83/10/644048310.db2.gz WHCZLMYFIUGAPB-UHFFFAOYSA-N 1 0 377.279 2.493 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000155266635 644068426 /nfs/dbraw/zinc/06/84/26/644068426.db2.gz UUNBLZYMEAJCAG-DGCLKSJQSA-N 1 0 378.274 2.368 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000155472317 644073353 /nfs/dbraw/zinc/07/33/53/644073353.db2.gz NEECFGJJJALLDF-ZDUSSCGKSA-N 1 0 397.317 2.267 20 0 GEADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000155605466 644077856 /nfs/dbraw/zinc/07/78/56/644077856.db2.gz OZKLSFGZIZMCLC-UHFFFAOYSA-N 1 0 378.336 2.134 20 0 GEADRO C[N@@H+]1CCCN(C(=O)c2cc(F)c(F)cc2I)CC1 ZINC000156324066 644088731 /nfs/dbraw/zinc/08/87/31/644088731.db2.gz UUIXYHXWKHDICX-UHFFFAOYSA-N 1 0 380.176 2.347 20 0 GEADRO CC(C)C[C@H](NC(=O)c1cc(F)c(Cl)cc1F)C(=O)NCC[NH+](C)C ZINC000156372554 644092364 /nfs/dbraw/zinc/09/23/64/644092364.db2.gz LOEHGHQLXVAQCX-HNNXBMFYSA-N 1 0 375.847 2.441 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000157029893 644126676 /nfs/dbraw/zinc/12/66/76/644126676.db2.gz GTQAUWRVKJKYHL-CHWSQXEVSA-N 1 0 377.539 2.238 20 0 GEADRO C[N@H+](CC(=O)N[C@@H](CCO)c1ccccc1Br)[C@@H]1CCSC1 ZINC000542907041 650894173 /nfs/dbraw/zinc/89/41/73/650894173.db2.gz BPKYJKIJLHSCPH-DOMZBBRYSA-N 1 0 387.343 2.426 20 0 GEADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1OC ZINC000158423465 644144361 /nfs/dbraw/zinc/14/43/61/644144361.db2.gz KOADYYOUXNHPJQ-UHFFFAOYSA-N 1 0 384.523 2.450 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000158624816 644152180 /nfs/dbraw/zinc/15/21/80/644152180.db2.gz QJJAMPNPWQTZGL-AXFHLTTASA-N 1 0 388.331 2.263 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000158663733 644154463 /nfs/dbraw/zinc/15/44/63/644154463.db2.gz JYIJHKUZWXVYMG-ZDUSSCGKSA-N 1 0 386.315 2.488 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000158809103 644160984 /nfs/dbraw/zinc/16/09/84/644160984.db2.gz PIXKFHMWFASRCG-CYBMUJFWSA-N 1 0 386.901 2.422 20 0 GEADRO Cc1csc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)n1 ZINC000158808940 644161013 /nfs/dbraw/zinc/16/10/13/644161013.db2.gz RZWMWAVRNPVBRF-CYBMUJFWSA-N 1 0 383.543 2.295 20 0 GEADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158836269 644162220 /nfs/dbraw/zinc/16/22/20/644162220.db2.gz KIHABZJKVIJNCS-QGZVFWFLSA-N 1 0 375.270 2.460 20 0 GEADRO O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158859565 644164107 /nfs/dbraw/zinc/16/41/07/644164107.db2.gz SRMYCKNMOIHRFT-SCLBCKFNSA-N 1 0 392.297 2.014 20 0 GEADRO COc1cc(Br)cc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000500094737 650896649 /nfs/dbraw/zinc/89/66/49/650896649.db2.gz SUMPHQNBXQNSKY-ZDUSSCGKSA-N 1 0 399.333 2.463 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158977700 644170581 /nfs/dbraw/zinc/17/05/81/644170581.db2.gz KOGWPQQJZNLDPP-WFASDCNBSA-N 1 0 386.901 2.231 20 0 GEADRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c(Cl)c1Cl ZINC000159018285 644172475 /nfs/dbraw/zinc/17/24/75/644172475.db2.gz HDZFUNKRGGDUJE-UHFFFAOYSA-N 1 0 397.324 2.127 20 0 GEADRO O=C(NNC(=O)c1ccc(F)cc1Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160737004 644205103 /nfs/dbraw/zinc/20/51/03/644205103.db2.gz YUBDBZJRGQXDIL-LBPRGKRZSA-N 1 0 399.264 2.017 20 0 GEADRO CC(C)[C@@H](SCC[NH+](C(C)C)C(C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000160966262 644206517 /nfs/dbraw/zinc/20/65/17/644206517.db2.gz AYNFRPGNKZYCBE-JKSUJKDBSA-N 1 0 378.604 2.166 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161181075 644208325 /nfs/dbraw/zinc/20/83/25/644208325.db2.gz WGVOEVWLYHQOMX-OLZOCXBDSA-N 1 0 387.933 2.370 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000161714614 644216631 /nfs/dbraw/zinc/21/66/31/644216631.db2.gz DOGCYOKNYOJCPV-RYUDHWBXSA-N 1 0 399.563 2.288 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000161895921 644224627 /nfs/dbraw/zinc/22/46/27/644224627.db2.gz LHOJZVQSJPXPDC-ZDUSSCGKSA-N 1 0 391.331 2.298 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cc(N(C)C)ccc1Br)[N@H+](C)C1CC1 ZINC000162084609 644231887 /nfs/dbraw/zinc/23/18/87/644231887.db2.gz GRXNOGYJXJZWEI-LLVKDONJSA-N 1 0 390.347 2.276 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000162154487 644233415 /nfs/dbraw/zinc/23/34/15/644233415.db2.gz NOWAOPFYPLARQY-IUCAKERBSA-N 1 0 389.193 2.199 20 0 GEADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000162363021 644234514 /nfs/dbraw/zinc/23/45/14/644234514.db2.gz FWMOSVUJCNCLCS-LBPRGKRZSA-N 1 0 387.889 2.497 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000162409702 644236687 /nfs/dbraw/zinc/23/66/87/644236687.db2.gz YSVQFZOCXZTCOK-INIZCTEOSA-N 1 0 384.293 2.327 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000162990356 644244030 /nfs/dbraw/zinc/24/40/30/644244030.db2.gz DFZOXWMZBZHCOV-UKRRQHHQSA-N 1 0 388.555 2.018 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CCO1 ZINC000163045499 644246056 /nfs/dbraw/zinc/24/60/56/644246056.db2.gz GYSJFOJELYSLBQ-MEBBXXQBSA-N 1 0 379.258 2.027 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000163163328 644250507 /nfs/dbraw/zinc/25/05/07/644250507.db2.gz DURVLCPAYMTANB-ZDUSSCGKSA-N 1 0 398.301 2.043 20 0 GEADRO CCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C1CC[NH2+]CC1 ZINC000163326814 644253199 /nfs/dbraw/zinc/25/31/99/644253199.db2.gz KKDCZGNNQFVSAW-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CC(C)[C@H](CNC(=O)Nc1ccc(Br)nc1)[NH+]1CCN(C)CC1 ZINC000166925788 644279332 /nfs/dbraw/zinc/27/93/32/644279332.db2.gz OLVFXGKJRMHSRW-AWEZNQCLSA-N 1 0 384.322 2.238 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(I)cc1)[N@H+](C)C1CC1 ZINC000170788023 644287174 /nfs/dbraw/zinc/28/71/74/644287174.db2.gz FNGPODQIPXFXBX-JTQLQIEISA-N 1 0 394.278 2.052 20 0 GEADRO CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000170954164 644298103 /nfs/dbraw/zinc/29/81/03/644298103.db2.gz BWKKDWACTJEXGD-UHFFFAOYSA-N 1 0 379.302 2.316 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000171127076 644313114 /nfs/dbraw/zinc/31/31/14/644313114.db2.gz WFCBACJFHCLOBK-UHFFFAOYSA-N 1 0 381.274 2.147 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCc2sccc2Br)CC1 ZINC000171194482 644315929 /nfs/dbraw/zinc/31/59/29/644315929.db2.gz JVLZBKRSPLFVAJ-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO CC[C@H](C)NC(=[NH2+])NCCCNC(=O)c1cc(OC)ccc1Br ZINC000171771485 644332783 /nfs/dbraw/zinc/33/27/83/644332783.db2.gz QXEWEDHKHFBDJX-NSHDSACASA-N 1 0 385.306 2.280 20 0 GEADRO S=c1sc(N2CCCC2)nn1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000172407572 644339761 /nfs/dbraw/zinc/33/97/61/644339761.db2.gz DZFLZCQKDGGOSH-UHFFFAOYSA-N 1 0 383.587 2.276 20 0 GEADRO O=Cc1ccc(OCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000173711843 644360831 /nfs/dbraw/zinc/36/08/31/644360831.db2.gz DRMMCMASJJWVFS-ZDUSSCGKSA-N 1 0 381.270 2.241 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CSC(=O)N1 ZINC000174353570 644373207 /nfs/dbraw/zinc/37/32/07/644373207.db2.gz GIVRCLDCMJORAD-ZDUSSCGKSA-N 1 0 386.315 2.164 20 0 GEADRO Cn1ccc([C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c2ccc(Cl)cc2)n1 ZINC000543634456 650916581 /nfs/dbraw/zinc/91/65/81/650916581.db2.gz CHPHGHKNJXJSEM-CXAGYDPISA-N 1 0 382.917 2.034 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2cccn3c(I)cnc23)CC1 ZINC000177204197 644410418 /nfs/dbraw/zinc/41/04/18/644410418.db2.gz PPUMYPLDEVIEBA-UHFFFAOYSA-N 1 0 398.248 2.105 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccccc1Br ZINC000543686595 650919491 /nfs/dbraw/zinc/91/94/91/650919491.db2.gz XPHJSDYCXXNDIQ-UHFFFAOYSA-N 1 0 379.320 2.086 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000178888049 644442734 /nfs/dbraw/zinc/44/27/34/644442734.db2.gz LVPCWCLKPSSWMX-SECBINFHSA-N 1 0 382.711 2.118 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000178907458 644443860 /nfs/dbraw/zinc/44/38/60/644443860.db2.gz QUSMLCHBOSRMHC-QMMMGPOBSA-N 1 0 383.695 2.080 20 0 GEADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000178925640 644444773 /nfs/dbraw/zinc/44/47/73/644444773.db2.gz ZTHWEMOKQPWLTM-MRVPVSSYSA-N 1 0 382.711 2.245 20 0 GEADRO Cc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c(Br)n1 ZINC000178938832 644445979 /nfs/dbraw/zinc/44/59/79/644445979.db2.gz IJVHRGSOELDFSA-UHFFFAOYSA-N 1 0 382.302 2.337 20 0 GEADRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1cc(Cl)cnc1N ZINC000178946508 644447822 /nfs/dbraw/zinc/44/78/22/644447822.db2.gz RFUBIFPTKGNKMW-UHFFFAOYSA-N 1 0 386.880 2.209 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000179029299 644449535 /nfs/dbraw/zinc/44/95/35/644449535.db2.gz QJIAVULHMCWWDF-GFCCVEGCSA-N 1 0 387.933 2.098 20 0 GEADRO CCc1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000543772516 650923443 /nfs/dbraw/zinc/92/34/43/650923443.db2.gz AWFRCASCOSBCRO-MRXNPFEDSA-N 1 0 380.535 2.356 20 0 GEADRO Cc1ccsc1S(=O)(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000543775702 650923827 /nfs/dbraw/zinc/92/38/27/650923827.db2.gz YXBOZXVUMDEMDS-UHFFFAOYSA-N 1 0 380.535 2.492 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000181045392 644520966 /nfs/dbraw/zinc/52/09/66/644520966.db2.gz VSTLMIHFKRQPPT-STQMWFEESA-N 1 0 381.523 2.184 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)c(Br)n1 ZINC000181347090 644531834 /nfs/dbraw/zinc/53/18/34/644531834.db2.gz HIUBYOXSGXJLPD-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(Br)n1 ZINC000181445612 644536745 /nfs/dbraw/zinc/53/67/45/644536745.db2.gz QQAJMTGIACVEAZ-AAEUAGOBSA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccnc2Br)c1 ZINC000181459485 644537136 /nfs/dbraw/zinc/53/71/36/644537136.db2.gz BQWUFHJTKWZDPW-UHFFFAOYSA-N 1 0 391.269 2.161 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000543992106 650929909 /nfs/dbraw/zinc/92/99/09/650929909.db2.gz OTGXGEKOAUAVSI-FZMZJTMJSA-N 1 0 389.315 2.333 20 0 GEADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000544001027 650930765 /nfs/dbraw/zinc/93/07/65/650930765.db2.gz JCGMNGJRLTWRBX-CQSZACIVSA-N 1 0 381.523 2.342 20 0 GEADRO Cc1ccc(NC(=O)C[NH2+][C@H](c2cccs2)C2CC2)cc1S(N)(=O)=O ZINC000544401046 650941123 /nfs/dbraw/zinc/94/11/23/650941123.db2.gz WDVHVHMDOVXKOS-KRWDZBQOSA-N 1 0 379.507 2.383 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2F)C[C@@H]1[NH+](C)C ZINC000544351381 650939834 /nfs/dbraw/zinc/93/98/34/650939834.db2.gz QSNMFLCBJKPNDR-WDEREUQCSA-N 1 0 397.335 2.254 20 0 GEADRO CN(CC[NH2+][C@H]1CCC(=O)Nc2ccccc21)S(=O)(=O)c1cccs1 ZINC000544379405 650940554 /nfs/dbraw/zinc/94/05/54/650940554.db2.gz CSBCRIVTJHORRG-AWEZNQCLSA-N 1 0 379.507 2.432 20 0 GEADRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000545155570 650962813 /nfs/dbraw/zinc/96/28/13/650962813.db2.gz QUZYPIOZOBOIRL-KRWDZBQOSA-N 1 0 383.279 2.284 20 0 GEADRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c2ccc(Br)cc2n1 ZINC000545172534 650963817 /nfs/dbraw/zinc/96/38/17/650963817.db2.gz GCIPQWZNQZOTOA-KRWDZBQOSA-N 1 0 378.270 2.102 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)CSc2nnc(-c3cccs3)n2C)CC1 ZINC000545171107 650963866 /nfs/dbraw/zinc/96/38/66/650963866.db2.gz IXLUJDRCNWIAIC-UHFFFAOYSA-N 1 0 377.539 2.404 20 0 GEADRO CCO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C12CCCCC2 ZINC000181723442 644944977 /nfs/dbraw/zinc/94/49/77/644944977.db2.gz HFYQXALPTHOQDT-HOTGVXAUSA-N 1 0 376.588 2.083 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1cccnc1Br)[NH+]1CCCCC1 ZINC000182160672 644958816 /nfs/dbraw/zinc/95/88/16/644958816.db2.gz KEHBKUFQSWVPEW-LBPRGKRZSA-N 1 0 383.290 2.163 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cnc1Br ZINC000182716216 644968385 /nfs/dbraw/zinc/96/83/85/644968385.db2.gz AESLEZLJDCJBAE-GFCCVEGCSA-N 1 0 397.317 2.329 20 0 GEADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC1 ZINC000183146155 644981411 /nfs/dbraw/zinc/98/14/11/644981411.db2.gz WHYPTKXKZFIMNZ-LLVKDONJSA-N 1 0 390.347 2.263 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000183150582 644982114 /nfs/dbraw/zinc/98/21/14/644982114.db2.gz OLOINWVUZFMYFC-ZDUSSCGKSA-N 1 0 390.347 2.278 20 0 GEADRO C[C@@H](CCNC(=O)c1cnn2cc(Br)cnc12)[NH+]1CCCCC1 ZINC000183165101 644983455 /nfs/dbraw/zinc/98/34/55/644983455.db2.gz KCHYUAKMPMTOGO-LBPRGKRZSA-N 1 0 380.290 2.486 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000183176118 644984159 /nfs/dbraw/zinc/98/41/59/644984159.db2.gz AWRCGIZHVRKZBM-CMPLNLGQSA-N 1 0 389.315 2.400 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Br)n1 ZINC000183772248 645002890 /nfs/dbraw/zinc/00/28/90/645002890.db2.gz YOYXEXNETPVURA-OAHLLOKOSA-N 1 0 390.281 2.341 20 0 GEADRO C[C@H](c1ccsc1)N1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000185129708 645035740 /nfs/dbraw/zinc/03/57/40/645035740.db2.gz CMLOPRCYDLCULL-LLVKDONJSA-N 1 0 379.404 2.242 20 0 GEADRO COc1cc(Br)cc(C[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000185206919 645038786 /nfs/dbraw/zinc/03/87/86/645038786.db2.gz BVYAZGAWNRSIGF-UHFFFAOYSA-N 1 0 380.304 2.468 20 0 GEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000185226605 645039559 /nfs/dbraw/zinc/03/95/59/645039559.db2.gz SUNUYCKDAKMNQH-UHFFFAOYSA-N 1 0 392.275 2.072 20 0 GEADRO Cn1cnc(S(=O)(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1Cl ZINC000186067605 645059217 /nfs/dbraw/zinc/05/92/17/645059217.db2.gz SVEKQVIWKLHUBO-OAHLLOKOSA-N 1 0 382.917 2.262 20 0 GEADRO COC(=O)N1CCC([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000186381583 645066558 /nfs/dbraw/zinc/06/65/58/645066558.db2.gz ALMMUJKSENONPC-NSHDSACASA-N 1 0 399.289 2.239 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000186725591 645072540 /nfs/dbraw/zinc/07/25/40/645072540.db2.gz LJZLPZCDCZAYTD-XTCJLCLGSA-N 1 0 387.343 2.451 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000186747242 645074118 /nfs/dbraw/zinc/07/41/18/645074118.db2.gz DLDKWTLJIKPQAL-AWEZNQCLSA-N 1 0 394.313 2.355 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000186938019 645077432 /nfs/dbraw/zinc/07/74/32/645077432.db2.gz HBENRSIZKWYKGJ-OAHLLOKOSA-N 1 0 375.282 2.010 20 0 GEADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCO1 ZINC000187045622 645081110 /nfs/dbraw/zinc/08/11/10/645081110.db2.gz LMCVNMHIYLPHBK-LBPRGKRZSA-N 1 0 386.823 2.310 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000187170438 645083706 /nfs/dbraw/zinc/08/37/06/645083706.db2.gz XIFSBPNUKLCMQT-SNVBAGLBSA-N 1 0 386.265 2.434 20 0 GEADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1(C)C ZINC000187648562 645096475 /nfs/dbraw/zinc/09/64/75/645096475.db2.gz XBRGHDTXAHNSFR-MLGOLLRUSA-N 1 0 376.425 2.154 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000188109419 645108434 /nfs/dbraw/zinc/10/84/34/645108434.db2.gz BVULELXDWWLKCH-UHFFFAOYSA-N 1 0 387.933 2.196 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(Cl)cc1C=O ZINC000189523941 645138683 /nfs/dbraw/zinc/13/86/83/645138683.db2.gz QDGRKTVCJMTGJB-UHFFFAOYSA-N 1 0 385.873 2.295 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000545863251 650982451 /nfs/dbraw/zinc/98/24/51/650982451.db2.gz ZQFBKKHTJJBDLK-CYBMUJFWSA-N 1 0 381.192 2.264 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)ccc1Br ZINC000545862811 650982487 /nfs/dbraw/zinc/98/24/87/650982487.db2.gz AHRWGKSRBIUIMG-UHFFFAOYSA-N 1 0 380.286 2.464 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000545874471 650983218 /nfs/dbraw/zinc/98/32/18/650983218.db2.gz BDEVMKKUPZXKIO-UHFFFAOYSA-N 1 0 396.285 2.164 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000190854034 645166826 /nfs/dbraw/zinc/16/68/26/645166826.db2.gz LRIKVSZXWLANTD-UHFFFAOYSA-N 1 0 394.291 2.320 20 0 GEADRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1Cl ZINC000191836851 645183113 /nfs/dbraw/zinc/18/31/13/645183113.db2.gz NDIXNYPACHCZPF-UHFFFAOYSA-N 1 0 384.841 2.304 20 0 GEADRO CCC(C)(C)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000191829705 645183194 /nfs/dbraw/zinc/18/31/94/645183194.db2.gz YIIKMMOORHFIBH-ZDUSSCGKSA-N 1 0 376.544 2.499 20 0 GEADRO Cn1nc(Br)cc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000191995163 645188685 /nfs/dbraw/zinc/18/86/85/645188685.db2.gz BOISRDTWUUSQIX-UHFFFAOYSA-N 1 0 381.274 2.053 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000546032113 650988302 /nfs/dbraw/zinc/98/83/02/650988302.db2.gz JRODBMINOSTLNW-JTQLQIEISA-N 1 0 386.265 2.293 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000192418319 645203909 /nfs/dbraw/zinc/20/39/09/645203909.db2.gz SRMYCBRDOFENRE-LBPRGKRZSA-N 1 0 387.347 2.148 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1nc2c(s1)CCCC2)c1cccs1 ZINC000192499954 645210059 /nfs/dbraw/zinc/21/00/59/645210059.db2.gz ZPIULKVEIYMDSN-GFCCVEGCSA-N 1 0 378.523 2.441 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)ccc1Br ZINC000192844375 645225403 /nfs/dbraw/zinc/22/54/03/645225403.db2.gz VIWLVQKDDUJAOE-GFCCVEGCSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)ncc1Br ZINC000192903767 645229160 /nfs/dbraw/zinc/22/91/60/645229160.db2.gz PQEFFBJRUYFZGF-GFCCVEGCSA-N 1 0 385.306 2.184 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(Br)c3)C[C@@H]2C1 ZINC000192919393 645230152 /nfs/dbraw/zinc/23/01/52/645230152.db2.gz YGKXFCRKTUGPRS-AOOOYVTPSA-N 1 0 379.707 2.285 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(OC)ccc1Br ZINC000192941778 645233623 /nfs/dbraw/zinc/23/36/23/645233623.db2.gz FCQKFRCLFUDQHG-UHFFFAOYSA-N 1 0 379.320 2.420 20 0 GEADRO NC(=O)[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)c1cccc(Br)c1 ZINC000193064857 645237240 /nfs/dbraw/zinc/23/72/40/645237240.db2.gz KOUDOELPKXMLPS-HNNXBMFYSA-N 1 0 383.286 2.498 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(Br)cn2)([NH+](C)C)C1 ZINC000193070885 645237885 /nfs/dbraw/zinc/23/78/85/645237885.db2.gz AWOFQMZATHMNQB-SJCJKPOMSA-N 1 0 397.317 2.409 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)ncc1Br ZINC000193076001 645238451 /nfs/dbraw/zinc/23/84/51/645238451.db2.gz AMEDNHNVUVELJI-GFCCVEGCSA-N 1 0 397.317 2.329 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ncc1Br ZINC000193084450 645239641 /nfs/dbraw/zinc/23/96/41/645239641.db2.gz WDKRAQPUYWNHJN-AAEUAGOBSA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+](C)C1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000193090998 645240238 /nfs/dbraw/zinc/24/02/38/645240238.db2.gz KBPNJONQNBKCJX-UHFFFAOYSA-N 1 0 383.286 2.315 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000193103879 645241949 /nfs/dbraw/zinc/24/19/49/645241949.db2.gz YNUBCOWKUKARNQ-GFCCVEGCSA-N 1 0 380.341 2.298 20 0 GEADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000193114357 645242795 /nfs/dbraw/zinc/24/27/95/645242795.db2.gz IMIGYSBAECKBRU-UHFFFAOYSA-N 1 0 378.947 2.464 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C1 ZINC000193228044 645253008 /nfs/dbraw/zinc/25/30/08/645253008.db2.gz FSCIUWRZGARNHG-ZIAGYGMSSA-N 1 0 390.933 2.374 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000193246184 645255373 /nfs/dbraw/zinc/25/53/73/645255373.db2.gz RTQHHGKBPWFVLM-TZMCWYRMSA-N 1 0 376.906 2.256 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1cc(C(F)(F)F)ccc1Br ZINC000193256631 645256458 /nfs/dbraw/zinc/25/64/58/645256458.db2.gz PAXUFXPXWMICTK-VIFPVBQESA-N 1 0 387.221 2.498 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000193272222 645259154 /nfs/dbraw/zinc/25/91/54/645259154.db2.gz XBRPYSLTZJOHFN-KGLIPLIRSA-N 1 0 390.933 2.422 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000193283638 645261523 /nfs/dbraw/zinc/26/15/23/645261523.db2.gz SREOLCKRHAJEFV-LBPRGKRZSA-N 1 0 394.313 2.334 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c1 ZINC000193288243 645262316 /nfs/dbraw/zinc/26/23/16/645262316.db2.gz HXPJRQNNLWADSF-AWEZNQCLSA-N 1 0 379.320 2.500 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000193287155 645262345 /nfs/dbraw/zinc/26/23/45/645262345.db2.gz DQHYLHCFMCUIEE-JOYOIKCWSA-N 1 0 395.294 2.345 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000193286326 645262357 /nfs/dbraw/zinc/26/23/57/645262357.db2.gz JROXIPCTAYHBKM-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC1 ZINC000193303811 645264748 /nfs/dbraw/zinc/26/47/48/645264748.db2.gz FZJMWGWGKXOYOT-UHFFFAOYSA-N 1 0 380.432 2.310 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000193321874 645267379 /nfs/dbraw/zinc/26/73/79/645267379.db2.gz NZEXZPVGHGUPKN-CQSZACIVSA-N 1 0 377.304 2.254 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1Cl ZINC000193406029 645269337 /nfs/dbraw/zinc/26/93/37/645269337.db2.gz LDGJZYHYQYCXTP-KWQFWETISA-N 1 0 397.722 2.387 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193462357 645275463 /nfs/dbraw/zinc/27/54/63/645275463.db2.gz GTXKUDHZSXFNSY-GUTXKFCHSA-N 1 0 388.917 2.174 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Br ZINC000193574968 645285230 /nfs/dbraw/zinc/28/52/30/645285230.db2.gz VCGLDUYNRYBQCL-JSGCOSHPSA-N 1 0 395.301 2.034 20 0 GEADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000193620684 645291030 /nfs/dbraw/zinc/29/10/30/645291030.db2.gz MOOHQBKPOOEXJU-ABAIWWIYSA-N 1 0 387.933 2.287 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ncccc1Br ZINC000193788281 645299030 /nfs/dbraw/zinc/29/90/30/645299030.db2.gz WCODLZXBFIKABU-HNNXBMFYSA-N 1 0 390.281 2.341 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000194026444 645308786 /nfs/dbraw/zinc/30/87/86/645308786.db2.gz AYTMSVFIEBZVEX-UHFFFAOYSA-N 1 0 382.302 2.286 20 0 GEADRO C[NH+]1CCN(CCNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000194327651 645321964 /nfs/dbraw/zinc/32/19/64/645321964.db2.gz IAJAFSKCCJKJCV-UHFFFAOYSA-N 1 0 384.958 2.431 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000194717039 645345121 /nfs/dbraw/zinc/34/51/21/645345121.db2.gz LFIJXPFNFSBYNR-ZDUSSCGKSA-N 1 0 387.933 2.193 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 ZINC000195024356 645355443 /nfs/dbraw/zinc/35/54/43/645355443.db2.gz MAAVFRXINLYSJL-UHFFFAOYSA-N 1 0 389.315 2.019 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000195172975 645360371 /nfs/dbraw/zinc/36/03/71/645360371.db2.gz GKOLXVKDRRJHDU-OLZOCXBDSA-N 1 0 395.301 2.021 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000195185736 645360988 /nfs/dbraw/zinc/36/09/88/645360988.db2.gz DYTWVNJRUDSVQK-HOTGVXAUSA-N 1 0 394.313 2.264 20 0 GEADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195253986 645366275 /nfs/dbraw/zinc/36/62/75/645366275.db2.gz RANDDEITGRNEFJ-PHIMTYICSA-N 1 0 379.233 2.065 20 0 GEADRO CSc1ccc(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)cc1Cl ZINC000546622789 651004977 /nfs/dbraw/zinc/00/49/77/651004977.db2.gz HLFBZLPHUXLNLV-UHFFFAOYSA-N 1 0 391.990 2.368 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000216006774 645385122 /nfs/dbraw/zinc/38/51/22/645385122.db2.gz BFJWAQJGWAOLQN-RKDXNWHRSA-N 1 0 397.722 2.469 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)c2cc(I)ccc2O)CC1 ZINC000224928486 645388381 /nfs/dbraw/zinc/38/83/81/645388381.db2.gz MUFWQUDRTHEQBY-UHFFFAOYSA-N 1 0 388.249 2.411 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H](C[NH3+])C1 ZINC000226417707 645391189 /nfs/dbraw/zinc/39/11/89/645391189.db2.gz JQYFGMRHTIOTQP-MNOVXSKESA-N 1 0 397.722 2.229 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2cccc(C)c2I)[C@H](C[NH3+])C1 ZINC000227833587 645394479 /nfs/dbraw/zinc/39/44/79/645394479.db2.gz RQDCHUGVAZJXQT-NWDGAFQWSA-N 1 0 388.249 2.178 20 0 GEADRO C[C@@]1(O)CCC[N@H+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000230376899 645398534 /nfs/dbraw/zinc/39/85/34/645398534.db2.gz CUVKXHDKYOJTLA-OAHLLOKOSA-N 1 0 388.249 2.467 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(I)c(O)c1 ZINC000230889037 645400269 /nfs/dbraw/zinc/40/02/69/645400269.db2.gz FWWSDUJNMSJWAY-OLZOCXBDSA-N 1 0 386.233 2.353 20 0 GEADRO COC[C@H](CO)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000234785468 645407879 /nfs/dbraw/zinc/40/78/79/645407879.db2.gz CXZRJZLZXVTUIJ-VIFPVBQESA-N 1 0 383.080 2.317 20 0 GEADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000236577486 645411824 /nfs/dbraw/zinc/41/18/24/645411824.db2.gz LEOKVWOVHNMDBV-NSHDSACASA-N 1 0 384.299 2.364 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000236578241 645412545 /nfs/dbraw/zinc/41/25/45/645412545.db2.gz KVBDMDIUVHKGOV-OLZOCXBDSA-N 1 0 384.343 2.239 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000236587962 645413012 /nfs/dbraw/zinc/41/30/12/645413012.db2.gz VXILYRSJODDOGF-WFASDCNBSA-N 1 0 385.327 2.444 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1 ZINC000236626035 645414626 /nfs/dbraw/zinc/41/46/26/645414626.db2.gz PPHOLSHHLYBMQQ-UHFFFAOYSA-N 1 0 384.299 2.302 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000236616531 645414686 /nfs/dbraw/zinc/41/46/86/645414686.db2.gz IQNORJPZCZXCHR-CQSZACIVSA-N 1 0 391.331 2.298 20 0 GEADRO O=C(CCC1CC[NH2+]CC1)NCCNC(=O)c1cccc(Br)c1 ZINC000236630601 645415300 /nfs/dbraw/zinc/41/53/00/645415300.db2.gz XKNVBZGQWOCJQS-UHFFFAOYSA-N 1 0 382.302 2.075 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])s2)CC1 ZINC000236643458 645415469 /nfs/dbraw/zinc/41/54/69/645415469.db2.gz HJSMOBMLZMXNBL-AWEZNQCLSA-N 1 0 385.555 2.122 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)ccc1Br ZINC000236653442 645416194 /nfs/dbraw/zinc/41/61/94/645416194.db2.gz OJHDJHQCSOLYEZ-NSHDSACASA-N 1 0 375.288 2.011 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCC([NH3+])CC2)ccc1Cl ZINC000236970270 645420966 /nfs/dbraw/zinc/42/09/66/645420966.db2.gz AFVZAUYDWIFODD-UHFFFAOYSA-N 1 0 387.933 2.370 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)ccc1Cl ZINC000236972452 645421038 /nfs/dbraw/zinc/42/10/38/645421038.db2.gz VPTJVISDGGPOQD-QGZVFWFLSA-N 1 0 387.933 2.228 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000237115077 645423381 /nfs/dbraw/zinc/42/33/81/645423381.db2.gz IBDONVXVHHNGGR-HIFRSBDPSA-N 1 0 394.313 2.321 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000237202070 645426750 /nfs/dbraw/zinc/42/67/50/645426750.db2.gz AOLLMSHMPIUJJG-NSHDSACASA-N 1 0 392.301 2.493 20 0 GEADRO CN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C1CCC([NH3+])CC1 ZINC000237243596 645427376 /nfs/dbraw/zinc/42/73/76/645427376.db2.gz DCEDJTLXFWFBDC-UHFFFAOYSA-N 1 0 385.917 2.222 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000237328095 645428155 /nfs/dbraw/zinc/42/81/55/645428155.db2.gz KDEPRDBDNOIPGO-ZJUUUORDSA-N 1 0 392.275 2.105 20 0 GEADRO COc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(I)c1 ZINC000237352335 645429139 /nfs/dbraw/zinc/42/91/39/645429139.db2.gz LMWNUTPUMRMBGR-GHMZBOCLSA-N 1 0 388.249 2.499 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237344665 645429227 /nfs/dbraw/zinc/42/92/27/645429227.db2.gz JASMPSGHNZDJAV-BBRMVZONSA-N 1 0 383.945 2.307 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000237385562 645429675 /nfs/dbraw/zinc/42/96/75/645429675.db2.gz LLCHQKBUPDUXFU-PWSUYJOCSA-N 1 0 398.248 2.281 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000237402992 645430395 /nfs/dbraw/zinc/43/03/95/645430395.db2.gz XCYMNQACIWJWPN-UPJWGTAASA-N 1 0 380.286 2.140 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000237416575 645431051 /nfs/dbraw/zinc/43/10/51/645431051.db2.gz CRIFNISWFRTNOA-TZMCWYRMSA-N 1 0 385.917 2.076 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000237422235 645431116 /nfs/dbraw/zinc/43/11/16/645431116.db2.gz FQHMMRVIUGGZBL-QWRGUYRKSA-N 1 0 388.331 2.311 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000237458404 645432471 /nfs/dbraw/zinc/43/24/71/645432471.db2.gz IRDVWSIWOIEPNO-CABZTGNLSA-N 1 0 392.275 2.248 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000237499113 645434006 /nfs/dbraw/zinc/43/40/06/645434006.db2.gz NLAQQXJPKNHHED-UONOGXRCSA-N 1 0 385.555 2.122 20 0 GEADRO C[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)[C@@H]1C[NH3+] ZINC000237496552 645434029 /nfs/dbraw/zinc/43/40/29/645434029.db2.gz LAVSHKZVRMJKHS-GHMZBOCLSA-N 1 0 388.331 2.168 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000237560584 645436723 /nfs/dbraw/zinc/43/67/23/645436723.db2.gz WGDSLUPTDUGFMY-BLLLJJGKSA-N 1 0 385.917 2.222 20 0 GEADRO Cc1cc(CCC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1Br ZINC000237599559 645437494 /nfs/dbraw/zinc/43/74/94/645437494.db2.gz GHCUQKIJEQGKRD-OAHLLOKOSA-N 1 0 396.329 2.004 20 0 GEADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)[C@@H]1C[NH3+] ZINC000237645096 645438960 /nfs/dbraw/zinc/43/89/60/645438960.db2.gz VAUXEBUOXKXZOW-BLLLJJGKSA-N 1 0 385.917 2.079 20 0 GEADRO [NH3+]CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CCCC1 ZINC000237784981 645440544 /nfs/dbraw/zinc/44/05/44/645440544.db2.gz MBHBBDYYCSEEGZ-GFCCVEGCSA-N 1 0 380.286 2.190 20 0 GEADRO Cc1c(C(=O)NCCc2ccc(Br)s2)nnn1C1CC[NH2+]CC1 ZINC000237794067 645441974 /nfs/dbraw/zinc/44/19/74/645441974.db2.gz QAOJIZFSYMHDSQ-UHFFFAOYSA-N 1 0 398.330 2.308 20 0 GEADRO O=C(c1ccc(Br)c(F)c1)N1CCCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000237813302 645443275 /nfs/dbraw/zinc/44/32/75/645443275.db2.gz SVDBRISAXUYRCR-HNNXBMFYSA-N 1 0 398.276 2.015 20 0 GEADRO Cc1c(C(=O)NC[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000237810768 645443430 /nfs/dbraw/zinc/44/34/30/645443430.db2.gz PLSCOMWKHWKGBB-LBPRGKRZSA-N 1 0 378.274 2.068 20 0 GEADRO O=C(CCCOc1ccc(I)cc1)NCC[NH2+]C1CC1 ZINC000237809892 645443483 /nfs/dbraw/zinc/44/34/83/645443483.db2.gz UBQAOCXSJAHKRA-UHFFFAOYSA-N 1 0 388.249 2.318 20 0 GEADRO O=S(=O)(NCC[NH2+]C1CC1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000237822663 645444310 /nfs/dbraw/zinc/44/43/10/645444310.db2.gz JRTSIUOQAQLNEM-UHFFFAOYSA-N 1 0 387.221 2.498 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000237852315 645445491 /nfs/dbraw/zinc/44/54/91/645445491.db2.gz GMIJLRVUGJXHNY-AWEZNQCLSA-N 1 0 381.929 2.110 20 0 GEADRO O=C(NCCC[NH2+]Cc1cccnc1)c1sccc1S(=O)(=O)C(F)F ZINC000237923733 645447834 /nfs/dbraw/zinc/44/78/34/645447834.db2.gz GSFJVDCUSSVFJG-UHFFFAOYSA-N 1 0 389.449 2.049 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000237933757 645447888 /nfs/dbraw/zinc/44/78/88/645447888.db2.gz AFGAGNAGDPOHIM-JOYOIKCWSA-N 1 0 392.275 2.153 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Br)C1 ZINC000237894880 645448165 /nfs/dbraw/zinc/44/81/65/645448165.db2.gz NAJCBQKXCAXKRS-SNVBAGLBSA-N 1 0 388.693 2.030 20 0 GEADRO [NH3+][C@@H](CNC(=O)CCc1nc(-c2cc(Br)cs2)no1)C1CC1 ZINC000237978164 645448568 /nfs/dbraw/zinc/44/85/68/645448568.db2.gz DKDICKJGOXCDHJ-JTQLQIEISA-N 1 0 385.287 2.347 20 0 GEADRO NCc1nc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)cs1 ZINC000238025506 645448632 /nfs/dbraw/zinc/44/86/32/645448632.db2.gz QPVUATOHTPKBSZ-UHFFFAOYSA-N 1 0 380.901 2.092 20 0 GEADRO O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NC[C@H]1CCCC[NH2+]1 ZINC000238133132 645449935 /nfs/dbraw/zinc/44/99/35/645449935.db2.gz JCFVNAQSYVROIQ-GFCCVEGCSA-N 1 0 378.523 2.187 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cncc(I)c2)C1 ZINC000245651392 645464561 /nfs/dbraw/zinc/46/45/61/645464561.db2.gz KCWLQMNKIKVJOP-FZMZJTMJSA-N 1 0 385.249 2.243 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccncc1I ZINC000245659454 645465458 /nfs/dbraw/zinc/46/54/58/645465458.db2.gz 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RZUMDCYNOFJFIP-OLZOCXBDSA-N 1 0 381.270 2.457 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252692785 645566742 /nfs/dbraw/zinc/56/67/42/645566742.db2.gz NMFRGQFHKOAGHR-SWLSCSKDSA-N 1 0 386.901 2.231 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000252692810 645566897 /nfs/dbraw/zinc/56/68/97/645566897.db2.gz WYGLFPUEATXKNA-KGLIPLIRSA-N 1 0 386.901 2.374 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253183122 645568293 /nfs/dbraw/zinc/56/82/93/645568293.db2.gz GIDWABSFFJGDLH-WDEREUQCSA-N 1 0 377.304 2.063 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)CCSC1 ZINC000547352099 651024192 /nfs/dbraw/zinc/02/41/92/651024192.db2.gz SOADRCKOERYNQY-HUUCEWRRSA-N 1 0 383.480 2.159 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@H](C[NH3+])C1 ZINC000261597753 645589343 /nfs/dbraw/zinc/58/93/43/645589343.db2.gz OEODSQLIRWPAKK-VHSXEESVSA-N 1 0 397.722 2.229 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000261612978 645590056 /nfs/dbraw/zinc/59/00/56/645590056.db2.gz DXYFRECAIZJANS-ZJUUUORDSA-N 1 0 384.832 2.068 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(F)c(F)cc1I ZINC000261620229 645590733 /nfs/dbraw/zinc/59/07/33/645590733.db2.gz BXBPFRYXGRLERJ-SFYZADRCSA-N 1 0 380.176 2.379 20 0 GEADRO CCC[NH2+]CCNC(=O)CCC(=O)c1ccc(I)cc1 ZINC000261650975 645592961 /nfs/dbraw/zinc/59/29/61/645592961.db2.gz MPKKZKLAORLLEM-UHFFFAOYSA-N 1 0 388.249 2.370 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000261695592 645594506 /nfs/dbraw/zinc/59/45/06/645594506.db2.gz IATSFPYKAVQFAC-STQMWFEESA-N 1 0 381.192 2.149 20 0 GEADRO COc1ccccc1[C@@H](O)CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261765226 645597970 /nfs/dbraw/zinc/59/79/70/645597970.db2.gz NXTGQHXMLXWLLI-MAUKXSAKSA-N 1 0 393.281 2.481 20 0 GEADRO O=C(CCOc1ccc(Cl)cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261762595 645598028 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ZINC000331266258 647375756 /nfs/dbraw/zinc/37/57/56/647375756.db2.gz IKPVHCVAJNYQEH-UHFFFAOYSA-N 1 0 376.320 2.243 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1OC ZINC000331319497 647380480 /nfs/dbraw/zinc/38/04/80/647380480.db2.gz KQAPLEJXNCQAQM-BXUZGUMPSA-N 1 0 394.946 2.023 20 0 GEADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000331354218 647381370 /nfs/dbraw/zinc/38/13/70/647381370.db2.gz PLJSZKNSKUCDLC-VJBOLBCHSA-N 1 0 378.947 2.157 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331585753 647391483 /nfs/dbraw/zinc/39/14/83/647391483.db2.gz PIRQOBMLACNEIA-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000331647543 647394801 /nfs/dbraw/zinc/39/48/01/647394801.db2.gz VSVYWIHGPFIHQH-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)Nc2nc3ccc(I)cc3s2)C1 ZINC000331783572 647398388 /nfs/dbraw/zinc/39/83/88/647398388.db2.gz QGPHBBYFNOJPQU-QMMMGPOBSA-N 1 0 388.234 2.466 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CCSC1 ZINC000331736003 647398487 /nfs/dbraw/zinc/39/84/87/647398487.db2.gz UYCURLHULZUCEZ-SCLBCKFNSA-N 1 0 381.929 2.246 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000332058838 647408937 /nfs/dbraw/zinc/40/89/37/647408937.db2.gz POXQQEAVYPOGOZ-XHDPSFHLSA-N 1 0 398.276 2.388 20 0 GEADRO CS[C@H]1CN(C(=O)c2nnn(-c3ccccc3Cl)c2C)C[C@@H]1[NH+](C)C ZINC000332146119 647416399 /nfs/dbraw/zinc/41/63/99/647416399.db2.gz NQHYWFSQLUUGJV-GJZGRUSLSA-N 1 0 379.917 2.347 20 0 GEADRO CCCNS(=O)(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000332198890 647421670 /nfs/dbraw/zinc/42/16/70/647421670.db2.gz BKCODVRXGVNGOG-UHFFFAOYSA-N 1 0 379.448 2.458 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)C[C@@H]21 ZINC000332309299 647430387 /nfs/dbraw/zinc/43/03/87/647430387.db2.gz HKLVSQBEEYECQP-NURSFMCSSA-N 1 0 384.249 2.113 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)CC1 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XDCPIMVMKGWQBD-TZMCWYRMSA-N 1 0 380.286 2.215 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332579635 647448483 /nfs/dbraw/zinc/44/84/83/647448483.db2.gz ZZHHLZIPPCUFBC-BXKDBHETSA-N 1 0 386.677 2.251 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333086642 647459902 /nfs/dbraw/zinc/45/99/02/647459902.db2.gz BSLQOUZLUANXMC-AAEUAGOBSA-N 1 0 391.273 2.246 20 0 GEADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333099153 647461408 /nfs/dbraw/zinc/46/14/08/647461408.db2.gz AOAQNSAXOHXNQW-UWVGGRQHSA-N 1 0 381.864 3.071 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3ncccc32)C[C@H]1[NH+]1CCCC1 ZINC000333162421 647463208 /nfs/dbraw/zinc/46/32/08/647463208.db2.gz INXPRWSEVKXHPC-IAGOWNOFSA-N 1 0 377.535 2.435 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1C(F)F ZINC000333169045 647463711 /nfs/dbraw/zinc/46/37/11/647463711.db2.gz NIEMXTWCIAJZIS-ZDUSSCGKSA-N 1 0 376.473 2.163 20 0 GEADRO Cn1cc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc(Br)c1=O ZINC000333179251 647464349 /nfs/dbraw/zinc/46/43/49/647464349.db2.gz PJUXAEHQPYZDBK-CQSZACIVSA-N 1 0 397.317 2.390 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)Cc2noc3ccccc32)C[C@@H]1[NH+]1CCCC1 ZINC000333177805 647464384 /nfs/dbraw/zinc/46/43/84/647464384.db2.gz LUDUUULAHIOPAG-DOTOQJQBSA-N 1 0 381.523 2.169 20 0 GEADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1sccc1Cl ZINC000333272976 647468806 /nfs/dbraw/zinc/46/88/06/647468806.db2.gz CUAQPIRAMCURPF-KBPBESRZSA-N 1 0 378.947 2.448 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333610138 647476029 /nfs/dbraw/zinc/47/60/29/647476029.db2.gz RVYFYLZTWAKFPK-UONOGXRCSA-N 1 0 378.274 2.450 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Cl)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333636866 647477814 /nfs/dbraw/zinc/47/78/14/647477814.db2.gz WQZVODMSNPZATP-UHFFFAOYSA-N 1 0 384.864 2.305 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000333681181 647479405 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392.297 2.157 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000333946520 647486218 /nfs/dbraw/zinc/48/62/18/647486218.db2.gz USENLYWQUNEQGL-GFCCVEGCSA-N 1 0 378.274 2.050 20 0 GEADRO COc1ccc([C@@H]2NC(=O)N(CC[N@H+](C)C3CC3)C2=O)cc1Br ZINC000349326706 647503498 /nfs/dbraw/zinc/50/34/98/647503498.db2.gz LVZIXGKNYWWTQP-AWEZNQCLSA-N 1 0 382.258 2.145 20 0 GEADRO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000360617905 647558513 /nfs/dbraw/zinc/55/85/13/647558513.db2.gz AQFJCZXAWTXBKP-HNNXBMFYSA-N 1 0 380.286 2.398 20 0 GEADRO CN(C(=O)c1csc(S(C)(=O)=O)c1)C1CCN(c2ccccn2)CC1 ZINC000361070113 647559489 /nfs/dbraw/zinc/55/94/89/647559489.db2.gz NALVJHLGVRMTEE-UHFFFAOYSA-N 1 0 379.507 2.288 20 0 GEADRO COc1cc(Br)ccc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000362221717 647568834 /nfs/dbraw/zinc/56/88/34/647568834.db2.gz PFVRDBHFGSMEMH-CQSZACIVSA-N 1 0 383.286 2.441 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000362879139 647575424 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COc1cc(Br)ccc1C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000363476179 647596557 /nfs/dbraw/zinc/59/65/57/647596557.db2.gz TVUJLJYEOXVOSA-UHFFFAOYSA-N 1 0 384.318 2.167 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000363508969 647597785 /nfs/dbraw/zinc/59/77/85/647597785.db2.gz SVXMFJRMSGLKBH-SJORKVTESA-N 1 0 394.313 2.323 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000363507090 647598055 /nfs/dbraw/zinc/59/80/55/647598055.db2.gz RMPJXIIOZCGDRY-UHFFFAOYSA-N 1 0 378.466 2.445 20 0 GEADRO CSc1nc(C)c(CCC(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c(C)n1 ZINC000364143576 647619098 /nfs/dbraw/zinc/61/90/98/647619098.db2.gz HJZXNCKYXFTBSO-OAHLLOKOSA-N 1 0 380.583 2.398 20 0 GEADRO O=C(NCCc1cc(Br)ccc1F)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364172420 647620974 /nfs/dbraw/zinc/62/09/74/647620974.db2.gz YBFYYKGJJVWOKD-YHWZYXNKSA-N 1 0 383.261 2.062 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1(c2cccc(Br)c2)CC1 ZINC000364466100 647627833 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GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410497928 648004882 /nfs/dbraw/zinc/00/48/82/648004882.db2.gz LRKKVSIFQKPSGA-OAHLLOKOSA-N 1 0 394.313 2.103 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)C1CC1 ZINC000411237627 648028729 /nfs/dbraw/zinc/02/87/29/648028729.db2.gz BDWKJYOCBXCDTR-CYBMUJFWSA-N 1 0 377.794 2.270 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411241341 648029180 /nfs/dbraw/zinc/02/91/80/648029180.db2.gz IYIAQSPPHAUSCF-QWHCGFSZSA-N 1 0 377.794 2.270 20 0 GEADRO COC(=O)[C@@]1(C)CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000412106716 648043228 /nfs/dbraw/zinc/04/32/28/648043228.db2.gz QFRVDEPCUYUOEI-PBHICJAKSA-N 1 0 386.286 2.464 20 0 GEADRO CC[NH+]1CCN(CC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000498873624 648068365 /nfs/dbraw/zinc/06/83/65/648068365.db2.gz OTGOFNYIJZSKEP-UHFFFAOYSA-N 1 0 392.301 2.211 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)c1 ZINC000413635431 648077290 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C[NH2+]C[C@H](C)CNC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000418017686 648270392 /nfs/dbraw/zinc/27/03/92/648270392.db2.gz HTVQNKMKHWHDBP-NSHDSACASA-N 1 0 382.306 2.102 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)nc12 ZINC000418016270 648270473 /nfs/dbraw/zinc/27/04/73/648270473.db2.gz FSGNHQZFKFJUHD-OCCSQVGLSA-N 1 0 394.317 2.374 20 0 GEADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418025094 648271787 /nfs/dbraw/zinc/27/17/87/648271787.db2.gz FLBPYOZEZMYFTA-NCOADZHNSA-N 1 0 396.329 2.304 20 0 GEADRO OC[C@H](C[NH2+]Cc1ccc(F)cc1I)[C@H]1CCOC1 ZINC000418039493 648273196 /nfs/dbraw/zinc/27/31/96/648273196.db2.gz HXETWJZGZGDJHN-RYUDHWBXSA-N 1 0 379.213 2.165 20 0 GEADRO CCn1c(CNC(=O)N2CCC([NH3+])CC2)nc2cc(Br)ccc21 ZINC000418059831 648274195 /nfs/dbraw/zinc/27/41/95/648274195.db2.gz AXOJMNYZJCUYPB-UHFFFAOYSA-N 1 0 380.290 2.451 20 0 GEADRO O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)N1CCC[NH2+]CC1 ZINC000418075259 648275532 /nfs/dbraw/zinc/27/55/32/648275532.db2.gz DPOKHIMUHYTKAB-CQSZACIVSA-N 1 0 385.295 2.494 20 0 GEADRO C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]1 ZINC000418078800 648276019 /nfs/dbraw/zinc/27/60/19/648276019.db2.gz JWZZQAYHZIWLMM-FZMZJTMJSA-N 1 0 385.295 2.492 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418086117 648276787 /nfs/dbraw/zinc/27/67/87/648276787.db2.gz BRWKDDBRSVAHKB-NHYWBVRUSA-N 1 0 378.274 2.266 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(Cl)cc1I ZINC000418087179 648277441 /nfs/dbraw/zinc/27/74/41/648277441.db2.gz GAHPOUZJQUBSEX-SNVBAGLBSA-N 1 0 381.645 2.481 20 0 GEADRO [NH3+]C1CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000418086429 648277473 /nfs/dbraw/zinc/27/74/73/648277473.db2.gz CHPINCKSPPBKJS-UHFFFAOYSA-N 1 0 378.274 2.268 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418088697 648277683 /nfs/dbraw/zinc/27/76/83/648277683.db2.gz AGUJJLDSZFROMP-UMVBOHGHSA-N 1 0 381.318 2.407 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2I)C1 ZINC000418088162 648277807 /nfs/dbraw/zinc/27/78/07/648277807.db2.gz JNZVTRUFXGVAOD-LLVKDONJSA-N 1 0 393.656 2.448 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(Cl)cc1I ZINC000418087943 648277918 /nfs/dbraw/zinc/27/79/18/648277918.db2.gz IXYVPQIZOYQYQS-SFYZADRCSA-N 1 0 381.645 2.480 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418089609 648278304 /nfs/dbraw/zinc/27/83/04/648278304.db2.gz BOWSFXADAGNHAB-GZBFAFLISA-N 1 0 381.318 2.420 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418090308 648278444 /nfs/dbraw/zinc/27/84/44/648278444.db2.gz NOXNWYITURTXSP-ZFWWWQNUSA-N 1 0 397.317 2.227 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418095490 648279220 /nfs/dbraw/zinc/27/92/20/648279220.db2.gz JFMTWPFKZQHCRB-SQWLQELKSA-N 1 0 393.329 2.279 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418106165 648280487 /nfs/dbraw/zinc/28/04/87/648280487.db2.gz MSCUQVIFTXSARD-OAHLLOKOSA-N 1 0 398.349 2.457 20 0 GEADRO CCOc1cc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc(Br)c1O ZINC000418108345 648281028 /nfs/dbraw/zinc/28/10/28/648281028.db2.gz FYKVMYHSWGVHJO-STQMWFEESA-N 1 0 387.318 2.440 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1I ZINC000418135301 648284305 /nfs/dbraw/zinc/28/43/05/648284305.db2.gz AIGBSRMHLOXPKU-YPMHNXCESA-N 1 0 387.265 2.478 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1I ZINC000418135298 648284338 /nfs/dbraw/zinc/28/43/38/648284338.db2.gz AIGBSRMHLOXPKU-DGCLKSJQSA-N 1 0 387.265 2.478 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418147882 648285215 /nfs/dbraw/zinc/28/52/15/648285215.db2.gz BZVXMVHHNLGOGB-MRVPVSSYSA-N 1 0 381.645 2.481 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000418161134 648285783 /nfs/dbraw/zinc/28/57/83/648285783.db2.gz PNXHYKZUUHIAOP-SNVBAGLBSA-N 1 0 393.656 2.435 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418162449 648286039 /nfs/dbraw/zinc/28/60/39/648286039.db2.gz QMOORLTYPUMPAG-HTQZYQBOSA-N 1 0 381.645 2.480 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCCCc2ccc(Cl)s2)C1 ZINC000418169313 648286303 /nfs/dbraw/zinc/28/63/03/648286303.db2.gz NAJGPOVYMCWUFY-CYBMUJFWSA-N 1 0 386.949 2.221 20 0 GEADRO COC[C@@]1(CNC(=O)NCc2cc(F)c(F)cc2Br)CCC[NH2+]1 ZINC000418176177 648286577 /nfs/dbraw/zinc/28/65/77/648286577.db2.gz GGAUWMRJVDIFDE-HNNXBMFYSA-N 1 0 392.244 2.295 20 0 GEADRO COCC[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000418173825 648286672 /nfs/dbraw/zinc/28/66/72/648286672.db2.gz SUHIKCJJWFWKQK-INIZCTEOSA-N 1 0 389.327 2.275 20 0 GEADRO CC(C)(CNC(=O)N(CC[NH3+])CCO)c1ccc(Br)cc1Cl ZINC000418227431 648288121 /nfs/dbraw/zinc/28/81/21/648288121.db2.gz QTHYWDVJKGLNOL-UHFFFAOYSA-N 1 0 392.725 2.343 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)C1 ZINC000418226371 648288160 /nfs/dbraw/zinc/28/81/60/648288160.db2.gz YUFDIDJKOOOMNI-WCQYABFASA-N 1 0 384.933 2.275 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1 ZINC000418229478 648288631 /nfs/dbraw/zinc/28/86/31/648288631.db2.gz HCRHWMZTDNCPKH-MRXNPFEDSA-N 1 0 387.933 2.321 20 0 GEADRO C[C@H](NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000418232132 648289104 /nfs/dbraw/zinc/28/91/04/648289104.db2.gz MBEIOXXTSIRMQI-KBPBESRZSA-N 1 0 387.933 2.191 20 0 GEADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418237146 648289413 /nfs/dbraw/zinc/28/94/13/648289413.db2.gz VQLYFIKMWKZYGS-HNNXBMFYSA-N 1 0 385.917 2.040 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)NCc1c(Br)cncc1Br ZINC000418240325 648289762 /nfs/dbraw/zinc/28/97/62/648289762.db2.gz RHTODIWDFBBBHJ-SSDOTTSWSA-N 1 0 380.084 2.143 20 0 GEADRO [NH3+]C1CCN(C(=O)NCc2c(Br)cncc2Br)CC1 ZINC000418240268 648289903 /nfs/dbraw/zinc/28/99/03/648289903.db2.gz RBYIZIKTFFMAAV-UHFFFAOYSA-N 1 0 392.095 2.239 20 0 GEADRO O=C(NCC[NH2+]C1CCCCCC1)NCCn1cc(Br)ccc1=O ZINC000418268296 648290871 /nfs/dbraw/zinc/29/08/71/648290871.db2.gz XUAOQZRHFQFEST-UHFFFAOYSA-N 1 0 399.333 2.222 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NCCC[NH2+]C1CC1 ZINC000418291952 648291330 /nfs/dbraw/zinc/29/13/30/648291330.db2.gz WVBNYNGSRGRMOA-AWEZNQCLSA-N 1 0 398.345 2.350 20 0 GEADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418296451 648291630 /nfs/dbraw/zinc/29/16/30/648291630.db2.gz JLUQOMWYPAZXQI-CQSZACIVSA-N 1 0 395.345 2.201 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH2+]CC1 ZINC000418301931 648292118 /nfs/dbraw/zinc/29/21/18/648292118.db2.gz APJOWVHGPGJVDV-UHFFFAOYSA-N 1 0 387.311 2.393 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)N(CCO)Cc1cc(Br)cs1 ZINC000418307198 648292218 /nfs/dbraw/zinc/29/22/18/648292218.db2.gz AGWXUHJQHVHBAL-NSHDSACASA-N 1 0 376.320 2.014 20 0 GEADRO C[NH2+]CCNC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000418312868 648292553 /nfs/dbraw/zinc/29/25/53/648292553.db2.gz AJVZAISOWDOVBZ-CYBMUJFWSA-N 1 0 387.265 2.085 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)N(CCO)Cc1cc(Br)cs1 ZINC000418331514 648293353 /nfs/dbraw/zinc/29/33/53/648293353.db2.gz DRFAZCXIOIXKGM-LLVKDONJSA-N 1 0 376.320 2.014 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418330367 648293411 /nfs/dbraw/zinc/29/34/11/648293411.db2.gz CJTYSUYJXDFXKX-RYUDHWBXSA-N 1 0 376.284 2.032 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418345616 648294278 /nfs/dbraw/zinc/29/42/78/648294278.db2.gz LMUNSNILYQIAPF-ZBFHGGJFSA-N 1 0 398.345 2.289 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C ZINC000418384080 648295709 /nfs/dbraw/zinc/29/57/09/648295709.db2.gz JODGDLYTQHMNGK-JSGCOSHPSA-N 1 0 386.334 2.063 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418386982 648295825 /nfs/dbraw/zinc/29/58/25/648295825.db2.gz SJAYSUJUTYYPAE-MRXNPFEDSA-N 1 0 381.318 2.028 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000418385674 648295877 /nfs/dbraw/zinc/29/58/77/648295877.db2.gz PSDKHERVEPIHDE-RISCZKNCSA-N 1 0 385.249 2.500 20 0 GEADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418391763 648296097 /nfs/dbraw/zinc/29/60/97/648296097.db2.gz YXUYNZVAMPKYLL-NSHDSACASA-N 1 0 376.320 2.421 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418389752 648296104 /nfs/dbraw/zinc/29/61/04/648296104.db2.gz WSDLRIXDVMGITF-CYBMUJFWSA-N 1 0 396.289 2.202 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000418478547 648297244 /nfs/dbraw/zinc/29/72/44/648297244.db2.gz ZIOKTDXIRFRCBT-GJZGRUSLSA-N 1 0 397.317 2.149 20 0 GEADRO CCC[NH2+]CCNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418480250 648297416 /nfs/dbraw/zinc/29/74/16/648297416.db2.gz QPDGEEBDIYGOJW-UHFFFAOYSA-N 1 0 395.305 2.171 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418485289 648297932 /nfs/dbraw/zinc/29/79/32/648297932.db2.gz GVBKYADRVIUDBU-GFCCVEGCSA-N 1 0 397.317 2.404 20 0 GEADRO COCCN(Cc1sccc1Br)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418499390 648298746 /nfs/dbraw/zinc/29/87/46/648298746.db2.gz NYWVSKYRDAHFNW-LBPRGKRZSA-N 1 0 376.320 2.406 20 0 GEADRO [NH3+][C@@H](CNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000418500173 648298838 /nfs/dbraw/zinc/29/88/38/648298838.db2.gz PEWUYFSQHNIEBV-GJZGRUSLSA-N 1 0 386.265 2.408 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000418520809 648299698 /nfs/dbraw/zinc/29/96/98/648299698.db2.gz HVPDKGGVFZQOQX-JTQLQIEISA-N 1 0 379.814 2.323 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000418548364 648301407 /nfs/dbraw/zinc/30/14/07/648301407.db2.gz ZLKJAZYPUYLETQ-INIZCTEOSA-N 1 0 398.301 2.052 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418575287 648302307 /nfs/dbraw/zinc/30/23/07/648302307.db2.gz NAXHBXPKBQHDDJ-PWSUYJOCSA-N 1 0 376.320 2.013 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418589698 648303580 /nfs/dbraw/zinc/30/35/80/648303580.db2.gz IZEQURFMGKCYSV-IFIJOSMWSA-N 1 0 398.345 2.206 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418591313 648303606 /nfs/dbraw/zinc/30/36/06/648303606.db2.gz UQHVSVUMQXUUBG-RYUDHWBXSA-N 1 0 376.320 2.284 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@H]1c1ccsc1 ZINC000418605955 648304520 /nfs/dbraw/zinc/30/45/20/648304520.db2.gz AYZKWMKYQNAREG-UONOGXRCSA-N 1 0 376.448 2.431 20 0 GEADRO CCN(CCc1cccs1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609372 648304779 /nfs/dbraw/zinc/30/47/79/648304779.db2.gz FMHWRAXQTILLAS-AWEZNQCLSA-N 1 0 378.464 2.158 20 0 GEADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418663728 648306486 /nfs/dbraw/zinc/30/64/86/648306486.db2.gz YFSOZCVQILETMA-XHSDSOJGSA-N 1 0 382.302 2.170 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000418651783 648306525 /nfs/dbraw/zinc/30/65/25/648306525.db2.gz HSSKDKGYHLNLGA-RDJZCZTQSA-N 1 0 390.311 2.485 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000418701529 648307596 /nfs/dbraw/zinc/30/75/96/648307596.db2.gz AJVGKBMZKRNLHI-PBAKNHOESA-N 1 0 382.302 2.298 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1 ZINC000418731393 648308751 /nfs/dbraw/zinc/30/87/51/648308751.db2.gz SXTHIFXSCKGXLM-BFYDXBDKSA-N 1 0 398.345 2.417 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000418746327 648309323 /nfs/dbraw/zinc/30/93/23/648309323.db2.gz XKQUOEQYAJHYPX-PBAKNHOESA-N 1 0 382.302 2.298 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418757725 648309739 /nfs/dbraw/zinc/30/97/39/648309739.db2.gz DYBVCQFQNWMLGC-LBPRGKRZSA-N 1 0 376.682 2.232 20 0 GEADRO O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418762539 648310008 /nfs/dbraw/zinc/31/00/08/648310008.db2.gz MANRGTLLPFRARO-HOCLYGCPSA-N 1 0 377.897 2.475 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000418768295 648310957 /nfs/dbraw/zinc/31/09/57/648310957.db2.gz RPANWEISNAOQPL-RYUDHWBXSA-N 1 0 387.347 2.261 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000418772752 648311728 /nfs/dbraw/zinc/31/17/28/648311728.db2.gz SXDZFBLANHYFTE-SNVBAGLBSA-N 1 0 388.693 2.159 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)C1 ZINC000418801582 648312923 /nfs/dbraw/zinc/31/29/23/648312923.db2.gz XOBBQZCSHPTLFY-BXUZGUMPSA-N 1 0 388.281 2.220 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418812676 648313449 /nfs/dbraw/zinc/31/34/49/648313449.db2.gz BRXXMVHORDGEMX-GOEBONIOSA-N 1 0 382.291 2.392 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CCCCC1 ZINC000418825459 648314602 /nfs/dbraw/zinc/31/46/02/648314602.db2.gz FJZLTDRHCRSQKZ-LSDHHAIUSA-N 1 0 394.313 2.199 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418827983 648315100 /nfs/dbraw/zinc/31/51/00/648315100.db2.gz MBFSCUBERJIRQN-DDUYRFODSA-N 1 0 394.313 2.055 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000418834631 648315812 /nfs/dbraw/zinc/31/58/12/648315812.db2.gz OXBXLKDCDBARAE-CAPXZKIUSA-N 1 0 394.313 2.007 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418837384 648315874 /nfs/dbraw/zinc/31/58/74/648315874.db2.gz SRSUSJMXBVLYQD-HRCADAONSA-N 1 0 394.313 2.022 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000418839448 648316265 /nfs/dbraw/zinc/31/62/65/648316265.db2.gz YXPXUDYYCWSIRM-DUVNUKRYSA-N 1 0 394.313 2.022 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418846503 648316901 /nfs/dbraw/zinc/31/69/01/648316901.db2.gz RVZLGDHUQRMWFZ-IPYPFGDCSA-N 1 0 396.329 2.001 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)Cc1ccc(Cl)cc1Cl ZINC000418853934 648317873 /nfs/dbraw/zinc/31/78/73/648317873.db2.gz KGISZWXYEBFJEP-DZGCQCFKSA-N 1 0 386.323 2.484 20 0 GEADRO CCCN(C(=O)C(=O)NCc1ccc(Br)cc1C)C1CC[NH2+]CC1 ZINC000418857483 648318503 /nfs/dbraw/zinc/31/85/03/648318503.db2.gz SEXHFLVMOKDXLT-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418856256 648318645 /nfs/dbraw/zinc/31/86/45/648318645.db2.gz OSNNXPIRMOGCBH-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418860046 648319119 /nfs/dbraw/zinc/31/91/19/648319119.db2.gz ZDRLHZJWPOJFGO-OAHLLOKOSA-N 1 0 384.318 2.206 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCc2ccc(Br)cc2)CCCCCC1 ZINC000418937652 648322474 /nfs/dbraw/zinc/32/24/74/648322474.db2.gz OPLZKTCTEYYGQT-UHFFFAOYSA-N 1 0 382.302 2.233 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418938328 648322863 /nfs/dbraw/zinc/32/28/63/648322863.db2.gz PRHNFPYBNOZXQE-HNNXBMFYSA-N 1 0 396.329 2.087 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000418940356 648323003 /nfs/dbraw/zinc/32/30/03/648323003.db2.gz IZIRPEVTKYMOKT-INIZCTEOSA-N 1 0 394.313 2.011 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418946107 648323709 /nfs/dbraw/zinc/32/37/09/648323709.db2.gz QZFYLDXYWXDYSO-UVBJJODRSA-N 1 0 394.313 2.281 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)c1cc(Cl)ccc1Cl ZINC000418947535 648323934 /nfs/dbraw/zinc/32/39/34/648323934.db2.gz BAXWUVHKADOUFG-BFVZDQMLSA-N 1 0 388.295 2.400 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418953379 648325129 /nfs/dbraw/zinc/32/51/29/648325129.db2.gz ZXVTZDZFOMCGGO-WBMJQRKESA-N 1 0 394.313 2.011 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1Br ZINC000418994294 648326910 /nfs/dbraw/zinc/32/69/10/648326910.db2.gz QBMJCTPGBQGZPH-DZGCQCFKSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419028511 648328694 /nfs/dbraw/zinc/32/86/94/648328694.db2.gz WWQIFYQXFFEZHK-HIFRSBDPSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419029601 648328702 /nfs/dbraw/zinc/32/87/02/648328702.db2.gz YPEJOYAELLZLKL-IVMMDQJWSA-N 1 0 396.329 2.130 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000419049167 648330074 /nfs/dbraw/zinc/33/00/74/648330074.db2.gz BFXIBLIHQFBPPS-DZGCQCFKSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419048476 648330093 /nfs/dbraw/zinc/33/00/93/648330093.db2.gz ADUPUPBPORNHIW-IVMMDQJWSA-N 1 0 396.329 2.130 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419049152 648330099 /nfs/dbraw/zinc/33/00/99/648330099.db2.gz BCWQVIAVQQBGOT-JGGQBBKZSA-N 1 0 396.329 2.082 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000419047955 648330112 /nfs/dbraw/zinc/33/01/12/648330112.db2.gz UTKGXLQXUTYXTR-SNVBAGLBSA-N 1 0 380.901 2.112 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419050912 648330362 /nfs/dbraw/zinc/33/03/62/648330362.db2.gz DVFFPHPSVWHQGC-TZMCWYRMSA-N 1 0 384.318 2.130 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419052387 648330780 /nfs/dbraw/zinc/33/07/80/648330780.db2.gz HSOYVYLINYKDSP-FZKQIMNGSA-N 1 0 396.329 2.002 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419056320 648331205 /nfs/dbraw/zinc/33/12/05/648331205.db2.gz QOTHTTYFEQYDGS-HUUCEWRRSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000419057328 648331485 /nfs/dbraw/zinc/33/14/85/648331485.db2.gz UJSCAZGLVLSFKJ-CFVMTHIKSA-N 1 0 396.329 2.143 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419057755 648331504 /nfs/dbraw/zinc/33/15/04/648331504.db2.gz VGDUDILJCSUHJZ-AEGPPILISA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419056981 648331507 /nfs/dbraw/zinc/33/15/07/648331507.db2.gz SXKFMHUBOKQJEJ-WOSRLPQWSA-N 1 0 396.329 2.082 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419058517 648331872 /nfs/dbraw/zinc/33/18/72/648331872.db2.gz WEILHEIJAVLLMO-GFCCVEGCSA-N 1 0 384.318 2.130 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419058586 648331948 /nfs/dbraw/zinc/33/19/48/648331948.db2.gz WPMDDBDYHVDISF-CFVMTHIKSA-N 1 0 396.329 2.130 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419067698 648332159 /nfs/dbraw/zinc/33/21/59/648332159.db2.gz RXWUUUBFVJQJBO-CABCVRRESA-N 1 0 396.329 2.145 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C1 ZINC000419098413 648333687 /nfs/dbraw/zinc/33/36/87/648333687.db2.gz GYMIEUZKNITWFI-NSHDSACASA-N 1 0 380.901 2.024 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl)C1CC1 ZINC000419100244 648334054 /nfs/dbraw/zinc/33/40/54/648334054.db2.gz VBNXNDSIQFZEKY-AWEZNQCLSA-N 1 0 390.336 2.196 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCc4c3ccc(Cl)c4Cl)C[C@@H]12 ZINC000419107458 648334531 /nfs/dbraw/zinc/33/45/31/648334531.db2.gz WVHJTPDFPAHPNO-VHIFSBLJSA-N 1 0 382.291 2.293 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000419113863 648335021 /nfs/dbraw/zinc/33/50/21/648335021.db2.gz RFTHVJINUUNTGF-NSHDSACASA-N 1 0 396.207 2.024 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 ZINC000419129739 648335807 /nfs/dbraw/zinc/33/58/07/648335807.db2.gz ADZWAJJAFOTEMP-CYBMUJFWSA-N 1 0 384.307 2.352 20 0 GEADRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419130333 648336176 /nfs/dbraw/zinc/33/61/76/648336176.db2.gz ZUVDGLRHTFQQON-JKSUJKDBSA-N 1 0 377.897 2.475 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419131281 648336220 /nfs/dbraw/zinc/33/62/20/648336220.db2.gz GOPPAODYSBAPIR-GFCCVEGCSA-N 1 0 390.709 2.208 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419132553 648336247 /nfs/dbraw/zinc/33/62/47/648336247.db2.gz HWBZLHCYFZTYDT-GFCCVEGCSA-N 1 0 390.709 2.352 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000419134553 648336728 /nfs/dbraw/zinc/33/67/28/648336728.db2.gz KIACUECMRBNICL-AAEUAGOBSA-N 1 0 388.295 2.135 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419134305 648336824 /nfs/dbraw/zinc/33/68/24/648336824.db2.gz JTWRSZOXTFCPHI-VXGBXAGGSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000419148243 648337165 /nfs/dbraw/zinc/33/71/65/648337165.db2.gz KAVCXPRNLIUASZ-QWHCGFSZSA-N 1 0 382.302 2.132 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419171146 648339355 /nfs/dbraw/zinc/33/93/55/648339355.db2.gz XCUULKUKVOWPSO-HNNXBMFYSA-N 1 0 396.329 2.268 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)c2ccccc2Br)CC[NH2+]1 ZINC000419190166 648340551 /nfs/dbraw/zinc/34/05/51/648340551.db2.gz QKKAPCUJRJSRBR-STQMWFEESA-N 1 0 396.329 2.100 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1Br ZINC000419195627 648341108 /nfs/dbraw/zinc/34/11/08/648341108.db2.gz YGYIWWQOKVHWOG-ZDUSSCGKSA-N 1 0 396.329 2.101 20 0 GEADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419195181 648341209 /nfs/dbraw/zinc/34/12/09/648341209.db2.gz RDLVIWWNZURNHN-QGZVFWFLSA-N 1 0 380.897 2.190 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)[C@H]1CCC[NH2+]C1 ZINC000419225952 648342125 /nfs/dbraw/zinc/34/21/25/648342125.db2.gz CXEUFFOOQKHETM-SLEUVZQESA-N 1 0 381.929 2.497 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419215135 648342304 /nfs/dbraw/zinc/34/23/04/648342304.db2.gz LKPXCHWVXQOQSQ-OAHLLOKOSA-N 1 0 379.913 2.419 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000419249764 648342780 /nfs/dbraw/zinc/34/27/80/648342780.db2.gz PNWGZOZPWMRVSV-XIVSLSHWSA-N 1 0 398.326 2.098 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419275615 648343820 /nfs/dbraw/zinc/34/38/20/648343820.db2.gz CVRHGIFNJONGQW-SCRDCRAPSA-N 1 0 386.323 2.484 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419281991 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GEADRO [NH3+]CCCCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419376749 648350949 /nfs/dbraw/zinc/35/09/49/648350949.db2.gz SOOIDTSWIPGUKA-UHFFFAOYSA-N 1 0 396.329 2.232 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000419374505 648350975 /nfs/dbraw/zinc/35/09/75/648350975.db2.gz OMSWXQJQEFZXNO-UHFFFAOYSA-N 1 0 396.329 2.103 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(Br)c(F)c1 ZINC000419451833 648353451 /nfs/dbraw/zinc/35/34/51/648353451.db2.gz VPJIACVGJLDJST-RYUDHWBXSA-N 1 0 388.281 2.185 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000419509190 648355165 /nfs/dbraw/zinc/35/51/65/648355165.db2.gz DMMBMEDXMHPYCB-GOSISDBHSA-N 1 0 396.329 2.040 20 0 GEADRO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1c(Cl)cccc1Cl ZINC000419517134 648355386 /nfs/dbraw/zinc/35/53/86/648355386.db2.gz LZJPUSRRCILGKU-KZULUSFZSA-N 1 0 384.307 2.425 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419582328 648356589 /nfs/dbraw/zinc/35/65/89/648356589.db2.gz FLPCIJIJSDFKDU-UVBJJODRSA-N 1 0 394.313 2.281 20 0 GEADRO CN(C(=O)C(=O)N[C@H]1CCc2c1cccc2Br)[C@H]1CCC[NH2+]CC1 ZINC000419580564 648356768 /nfs/dbraw/zinc/35/67/68/648356768.db2.gz BRSXVTHTFYEAJT-LRDDRELGSA-N 1 0 394.313 2.153 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419586076 648356890 /nfs/dbraw/zinc/35/68/90/648356890.db2.gz LIHHLVPFPZOBJG-IUIKQTSFSA-N 1 0 394.313 2.186 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419587745 648356942 /nfs/dbraw/zinc/35/69/42/648356942.db2.gz NROXSTCXULWJLV-LRDDRELGSA-N 1 0 394.313 2.011 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419585002 648357030 /nfs/dbraw/zinc/35/70/30/648357030.db2.gz JPJBDFJCBLUWGS-IAQYHMDHSA-N 1 0 382.302 2.186 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000419585066 648357040 /nfs/dbraw/zinc/35/70/40/648357040.db2.gz KAOUTQZUZALAKC-BDJLRTHQSA-N 1 0 394.313 2.138 20 0 GEADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)CCC[NH2+]C1 ZINC000419589637 648357274 /nfs/dbraw/zinc/35/72/74/648357274.db2.gz QNAOHLUNPIUUDH-QAPCUYQASA-N 1 0 394.313 2.059 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000419629508 648358294 /nfs/dbraw/zinc/35/82/94/648358294.db2.gz LGPZKLLZJZNXCW-OQPBUACISA-N 1 0 377.794 2.390 20 0 GEADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419674426 648362541 /nfs/dbraw/zinc/36/25/41/648362541.db2.gz ABIANKZKOWAFII-TXEJJXNPSA-N 1 0 377.897 2.157 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCCCO1 ZINC000419698329 648366664 /nfs/dbraw/zinc/36/66/64/648366664.db2.gz YSYWJVCULSCMHU-GXFFZTMASA-N 1 0 377.304 2.144 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(Br)s1 ZINC000419699348 648366862 /nfs/dbraw/zinc/36/68/62/648366862.db2.gz BKGCGGZHPCNVPS-MWLCHTKSSA-N 1 0 388.331 2.322 20 0 GEADRO CCC(O)(CC)CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419700441 648366900 /nfs/dbraw/zinc/36/69/00/648366900.db2.gz XMAMFNORAKMIDA-UHFFFAOYSA-N 1 0 379.320 2.127 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000419702259 648367315 /nfs/dbraw/zinc/36/73/15/648367315.db2.gz FKWHOXGYTKXYEG-GMTAPVOTSA-N 1 0 388.331 2.322 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])c1ccc(Br)s1 ZINC000419714510 648370136 /nfs/dbraw/zinc/37/01/36/648370136.db2.gz SYCGGVMIYZFLGA-AXFHLTTASA-N 1 0 388.331 2.416 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CC[NH2+]C1 ZINC000419731310 648372224 /nfs/dbraw/zinc/37/22/24/648372224.db2.gz RAEYKIIZVBOOSC-GXFFZTMASA-N 1 0 386.279 2.144 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCCC2CCOCC2)cc1Br ZINC000419743018 648373932 /nfs/dbraw/zinc/37/39/32/648373932.db2.gz FZSBFTJWCGRIEA-UHFFFAOYSA-N 1 0 391.331 2.393 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419755521 648375466 /nfs/dbraw/zinc/37/54/66/648375466.db2.gz DHPQYFPZTWHKAN-SSDOTTSWSA-N 1 0 384.210 2.065 20 0 GEADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419763102 648375811 /nfs/dbraw/zinc/37/58/11/648375811.db2.gz FDIPVDSUNPHCDO-DOMZBBRYSA-N 1 0 386.323 2.499 20 0 GEADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)C(=O)NC1CC[NH2+]CC1 ZINC000419764676 648376290 /nfs/dbraw/zinc/37/62/90/648376290.db2.gz WIPKINSNBSHADC-UHFFFAOYSA-N 1 0 396.221 2.079 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000419804239 648380105 /nfs/dbraw/zinc/38/01/05/648380105.db2.gz CWARCGYPMZPHIS-OLZOCXBDSA-N 1 0 396.329 2.039 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419804818 648380113 /nfs/dbraw/zinc/38/01/13/648380113.db2.gz PGCLICPQBXLTGA-UHFFFAOYSA-N 1 0 388.331 2.247 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000419806932 648380587 /nfs/dbraw/zinc/38/05/87/648380587.db2.gz FIEVGUJKUQBJCQ-DOMZBBRYSA-N 1 0 396.329 2.087 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419815315 648381510 /nfs/dbraw/zinc/38/15/10/648381510.db2.gz JTTSJRSEZUXHHO-CYBMUJFWSA-N 1 0 396.329 2.002 20 0 GEADRO OC[C@H]([NH2+]Cc1c(Br)cncc1Br)[C@H]1CCCOC1 ZINC000419819315 648381777 /nfs/dbraw/zinc/38/17/77/648381777.db2.gz NFDOHGTVIIDLHB-ZANVPECISA-N 1 0 394.107 2.484 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NCCCC[NH3+] ZINC000419832688 648383700 /nfs/dbraw/zinc/38/37/00/648383700.db2.gz OASLUYHJMGJOIR-UHFFFAOYSA-N 1 0 384.318 2.289 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419835987 648384141 /nfs/dbraw/zinc/38/41/41/648384141.db2.gz WVFJQWMFPRKFAQ-ZDUSSCGKSA-N 1 0 388.295 2.218 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000419839056 648384303 /nfs/dbraw/zinc/38/43/03/648384303.db2.gz AMCIQAVTWWCKOH-INIZCTEOSA-N 1 0 381.929 2.215 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419837675 648384439 /nfs/dbraw/zinc/38/44/39/648384439.db2.gz DEGDSPSLNYJJQR-UHFFFAOYSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)NC1CC[NH2+]CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000419845420 648384982 /nfs/dbraw/zinc/38/49/82/648384982.db2.gz DZNQMHODGHNVHS-NSHDSACASA-N 1 0 388.295 2.087 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000419854689 648385881 /nfs/dbraw/zinc/38/58/81/648385881.db2.gz VRCBDQBQIBJNKB-UHFFFAOYSA-N 1 0 381.929 2.291 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000419891040 648386816 /nfs/dbraw/zinc/38/68/16/648386816.db2.gz MQGBIMYKSIKEKL-HUUCEWRRSA-N 1 0 398.276 2.120 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419910934 648388237 /nfs/dbraw/zinc/38/82/37/648388237.db2.gz IURBQAHURVJMIC-CZUORRHYSA-N 1 0 394.313 2.228 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419912552 648388276 /nfs/dbraw/zinc/38/82/76/648388276.db2.gz WRZYHBCFDAGQHD-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419924222 648388992 /nfs/dbraw/zinc/38/89/92/648388992.db2.gz CCCDJUNZYAWMRW-AWEZNQCLSA-N 1 0 396.329 2.304 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419931476 648389410 /nfs/dbraw/zinc/38/94/10/648389410.db2.gz CXUKKLCWGKTKKT-QWHCGFSZSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419934775 648389899 /nfs/dbraw/zinc/38/98/99/648389899.db2.gz HSEYTWXCSGCWSR-QWHCGFSZSA-N 1 0 394.313 2.153 20 0 GEADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419950300 648391011 /nfs/dbraw/zinc/39/10/11/648391011.db2.gz HARVXBUBJNKQKF-LLVKDONJSA-N 1 0 388.281 2.036 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419962726 648391530 /nfs/dbraw/zinc/39/15/30/648391530.db2.gz UHWMMRJGNXPJBF-HNNXBMFYSA-N 1 0 384.318 2.206 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419957337 648391597 /nfs/dbraw/zinc/39/15/97/648391597.db2.gz BGUCYCDGZRNQLX-MRXNPFEDSA-N 1 0 396.329 2.431 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000419979280 648392337 /nfs/dbraw/zinc/39/23/37/648392337.db2.gz PHMIUCVUYPEUKW-ZDUSSCGKSA-N 1 0 388.281 2.036 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419979239 648392403 /nfs/dbraw/zinc/39/24/03/648392403.db2.gz PGERFPOLEPYSRT-RYUDHWBXSA-N 1 0 390.311 2.191 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000419985733 648392742 /nfs/dbraw/zinc/39/27/42/648392742.db2.gz XBNZUBQXFAKBDT-CYBMUJFWSA-N 1 0 383.945 2.395 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419989280 648393249 /nfs/dbraw/zinc/39/32/49/648393249.db2.gz GOTMHIWYMKWBJA-LBPRGKRZSA-N 1 0 382.302 2.009 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420008805 648395560 /nfs/dbraw/zinc/39/55/60/648395560.db2.gz CAZKGMBBDBKINF-ZYHUDNBSSA-N 1 0 388.331 2.103 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)C1CC1 ZINC000420024444 648397066 /nfs/dbraw/zinc/39/70/66/648397066.db2.gz AIWNBUOYTVPCRY-HUUCEWRRSA-N 1 0 398.276 2.105 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420048891 648397992 /nfs/dbraw/zinc/39/79/92/648397992.db2.gz FRBGPNWMZHAPFH-ZDUSSCGKSA-N 1 0 388.331 2.103 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420055141 648398450 /nfs/dbraw/zinc/39/84/50/648398450.db2.gz LWKCAOZRCSJESD-INIZCTEOSA-N 1 0 396.329 2.431 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420068790 648399237 /nfs/dbraw/zinc/39/92/37/648399237.db2.gz ADLVEXKRCDNJKV-CYBMUJFWSA-N 1 0 396.329 2.474 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420071581 648399611 /nfs/dbraw/zinc/39/96/11/648399611.db2.gz WUMYSSZVRCAOSS-ZBFHGGJFSA-N 1 0 396.329 2.084 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420090993 648401165 /nfs/dbraw/zinc/40/11/65/648401165.db2.gz UGHLKDQJDQKDNN-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420106710 648402022 /nfs/dbraw/zinc/40/20/22/648402022.db2.gz SBPXWFZETHURIM-GOSISDBHSA-N 1 0 396.329 2.304 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000420119152 648402712 /nfs/dbraw/zinc/40/27/12/648402712.db2.gz NDTIRWBLCLLVKW-DAXOMENPSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000420120317 648403249 /nfs/dbraw/zinc/40/32/49/648403249.db2.gz JVHCLZDYOBSBFP-WQVCFCJDSA-N 1 0 381.929 2.213 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420125093 648403855 /nfs/dbraw/zinc/40/38/55/648403855.db2.gz NHQGRMLELNOQRD-BBRMVZONSA-N 1 0 396.329 2.300 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420129874 648404262 /nfs/dbraw/zinc/40/42/62/648404262.db2.gz QZNCFXIOVXTRDI-BBRMVZONSA-N 1 0 396.329 2.300 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420129437 648404272 /nfs/dbraw/zinc/40/42/72/648404272.db2.gz QSKRIWMTUUOHQI-BBRMVZONSA-N 1 0 396.329 2.443 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420158034 648406456 /nfs/dbraw/zinc/40/64/56/648406456.db2.gz HKVZSKACLCBMSF-MAZHCROVSA-N 1 0 394.313 2.369 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000420176284 648408181 /nfs/dbraw/zinc/40/81/81/648408181.db2.gz WLTLZZAIXFORFB-YPMHNXCESA-N 1 0 388.295 2.087 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000420450146 648417580 /nfs/dbraw/zinc/41/75/80/648417580.db2.gz OSEXBCVLIYABFI-GFCCVEGCSA-N 1 0 376.906 2.174 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N(C)CC[NH3+])c(Br)c1 ZINC000420470228 648419218 /nfs/dbraw/zinc/41/92/18/648419218.db2.gz LZWVZIOXHWOVFO-UHFFFAOYSA-N 1 0 386.109 2.099 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000420472024 648419788 /nfs/dbraw/zinc/41/97/88/648419788.db2.gz BMIKGAMDTIBUFG-MNOVXSKESA-N 1 0 377.304 2.063 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420475921 648420899 /nfs/dbraw/zinc/42/08/99/648420899.db2.gz NROFKLJMSQTCPI-DYVFJYSZSA-N 1 0 388.917 2.270 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420482472 648421498 /nfs/dbraw/zinc/42/14/98/648421498.db2.gz UKUUYMSGITVBSX-RDBSUJKOSA-N 1 0 390.933 2.359 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc(I)c1 ZINC000420767710 648454481 /nfs/dbraw/zinc/45/44/81/648454481.db2.gz NLCWGEGORNVAHN-GFCCVEGCSA-N 1 0 394.278 2.006 20 0 GEADRO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420958851 648459534 /nfs/dbraw/zinc/45/95/34/648459534.db2.gz DOXSIAMCJIHAJQ-CQSZACIVSA-N 1 0 380.286 2.398 20 0 GEADRO CNC(=O)[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000420976470 648461166 /nfs/dbraw/zinc/46/11/66/648461166.db2.gz PEEXQFXFEJIHJC-XJKSGUPXSA-N 1 0 394.313 2.321 20 0 GEADRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2cccc(Br)c2)CCOCC1 ZINC000421042240 648462941 /nfs/dbraw/zinc/46/29/41/648462941.db2.gz YYTFDKFTRAEXQC-HIFRSBDPSA-N 1 0 388.302 2.363 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421181541 648467576 /nfs/dbraw/zinc/46/75/76/648467576.db2.gz QTXWFMZDQNCHRV-CYBMUJFWSA-N 1 0 394.313 2.186 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421188895 648468717 /nfs/dbraw/zinc/46/87/17/648468717.db2.gz LLXFAUXZLYCFRY-OLZOCXBDSA-N 1 0 394.313 2.327 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421216616 648472167 /nfs/dbraw/zinc/47/21/67/648472167.db2.gz PQRWMJWKZZAOIU-UHFFFAOYSA-N 1 0 382.302 2.042 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(F)cc1Br ZINC000421297531 648485640 /nfs/dbraw/zinc/48/56/40/648485640.db2.gz LLBKIJFZKKQHGK-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO CCCN1C[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1=O ZINC000421349506 648488131 /nfs/dbraw/zinc/48/81/31/648488131.db2.gz JLONYLLBEYAEKQ-CYBMUJFWSA-N 1 0 392.301 2.378 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000421707907 648505541 /nfs/dbraw/zinc/50/55/41/648505541.db2.gz YPINTTNRLMDUDX-UONOGXRCSA-N 1 0 394.313 2.355 20 0 GEADRO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1I ZINC000421715560 648505820 /nfs/dbraw/zinc/50/58/20/648505820.db2.gz YEIXNFYXXYQWDZ-LBPRGKRZSA-N 1 0 388.249 2.466 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1Cc1ccccc1Br ZINC000421914845 648511501 /nfs/dbraw/zinc/51/15/01/648511501.db2.gz HMVOTLJZOHBKRD-SJLPKXTDSA-N 1 0 392.341 2.373 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422124617 648523859 /nfs/dbraw/zinc/52/38/59/648523859.db2.gz AKQWGHGLZSNFKX-XJKSGUPXSA-N 1 0 396.329 2.049 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000422272144 648531648 /nfs/dbraw/zinc/53/16/48/648531648.db2.gz RPDCZIIISXFJPY-KFWWJZLASA-N 1 0 381.567 2.087 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422437313 648546028 /nfs/dbraw/zinc/54/60/28/648546028.db2.gz ZRSSYYJPPFYZNQ-CYBMUJFWSA-N 1 0 384.318 2.220 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000422516597 648554953 /nfs/dbraw/zinc/55/49/53/648554953.db2.gz KDBRJRCAWKMGBV-UHFFFAOYSA-N 1 0 396.329 2.174 20 0 GEADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@@H]1C[NH3+] ZINC000422555071 648558808 /nfs/dbraw/zinc/55/88/08/648558808.db2.gz OELZFDAQHVDPJI-WOPDTQHZSA-N 1 0 381.420 2.017 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000422631452 648563588 /nfs/dbraw/zinc/56/35/88/648563588.db2.gz FNVMWYQRRGAYSF-GFCCVEGCSA-N 1 0 399.276 2.446 20 0 GEADRO Brc1ccc2nc(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cn2c1 ZINC000422737279 648574084 /nfs/dbraw/zinc/57/40/84/648574084.db2.gz ZMDHZVBQGAJUTA-HRCADAONSA-N 1 0 379.302 2.344 20 0 GEADRO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422768762 648575267 /nfs/dbraw/zinc/57/52/67/648575267.db2.gz UWHNGSTWFIPSFY-UONOGXRCSA-N 1 0 375.332 2.471 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)c2cn(CCCC[NH3+])nn2)cc1Br ZINC000422932255 648577716 /nfs/dbraw/zinc/57/77/16/648577716.db2.gz FHJLCGZJOSREOO-LLVKDONJSA-N 1 0 396.289 2.279 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422970330 648579441 /nfs/dbraw/zinc/57/94/41/648579441.db2.gz GAWQPNZWHOGHSX-CZUORRHYSA-N 1 0 396.329 2.084 20 0 GEADRO CC(C)[C@@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H](C)[NH3+] ZINC000423136342 648583710 /nfs/dbraw/zinc/58/37/10/648583710.db2.gz PDOQSUSVLSHJLW-QMTHXVAHSA-N 1 0 380.290 2.470 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423170168 648586117 /nfs/dbraw/zinc/58/61/17/648586117.db2.gz LEDYUWDPMCIZOL-CZUORRHYSA-N 1 0 394.313 2.181 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423167365 648586177 /nfs/dbraw/zinc/58/61/77/648586177.db2.gz DYJXYPVKWFXHCP-JKSUJKDBSA-N 1 0 394.313 2.323 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423170169 648586578 /nfs/dbraw/zinc/58/65/78/648586578.db2.gz LEDYUWDPMCIZOL-XJKSGUPXSA-N 1 0 394.313 2.181 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)NCC2(c3cccc(Br)c3)CC2)nn1 ZINC000423191103 648587307 /nfs/dbraw/zinc/58/73/07/648587307.db2.gz SDBVCSFZUJMONK-UHFFFAOYSA-N 1 0 392.301 2.241 20 0 GEADRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423244007 648588359 /nfs/dbraw/zinc/58/83/59/648588359.db2.gz WZYLBPXSMZROAI-QGZVFWFLSA-N 1 0 385.302 2.303 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000423357474 648590179 /nfs/dbraw/zinc/59/01/79/648590179.db2.gz ICGVWRNKPUTGRA-OAHLLOKOSA-N 1 0 383.945 2.400 20 0 GEADRO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)s1 ZINC000423386938 648590619 /nfs/dbraw/zinc/59/06/19/648590619.db2.gz LSZWRXHGVAYMIF-IUCAKERBSA-N 1 0 387.269 2.392 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423451905 648591245 /nfs/dbraw/zinc/59/12/45/648591245.db2.gz HBIKYIUOCAXFKE-DOMZBBRYSA-N 1 0 396.329 2.159 20 0 GEADRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424288812 648622472 /nfs/dbraw/zinc/62/24/72/648622472.db2.gz JKHFDMXXADBYOX-MRVPVSSYSA-N 1 0 387.670 2.467 20 0 GEADRO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(F)c(I)c1 ZINC000423490040 648593085 /nfs/dbraw/zinc/59/30/85/648593085.db2.gz HHWNMISYPNPMLY-ZYHUDNBSSA-N 1 0 378.229 2.459 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000423499906 648593121 /nfs/dbraw/zinc/59/31/21/648593121.db2.gz BQFYEZSZKFJUIL-MRXNPFEDSA-N 1 0 394.313 2.008 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000423512385 648593700 /nfs/dbraw/zinc/59/37/00/648593700.db2.gz BLVIUYLPILZSIH-INIZCTEOSA-N 1 0 396.329 2.489 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423553245 648594992 /nfs/dbraw/zinc/59/49/92/648594992.db2.gz HLMDDQKIKQIJPA-UHFFFAOYSA-N 1 0 386.677 2.396 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423571711 648595992 /nfs/dbraw/zinc/59/59/92/648595992.db2.gz WLUXJYAUHRWJEV-HZSPNIEDSA-N 1 0 396.329 2.412 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)C(=O)N(Cc2ccccc2Br)C2CCCC2)C1 ZINC000423573944 648596566 /nfs/dbraw/zinc/59/65/66/648596566.db2.gz WTODQSGACDMBGF-AWEZNQCLSA-N 1 0 394.313 2.280 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423578438 648596726 /nfs/dbraw/zinc/59/67/26/648596726.db2.gz KZSWZQYYSATPIV-UONOGXRCSA-N 1 0 394.313 2.062 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000423624662 648597698 /nfs/dbraw/zinc/59/76/98/648597698.db2.gz QBWJVADDAZCHEH-GDBMZVCRSA-N 1 0 381.929 2.373 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000423647483 648598120 /nfs/dbraw/zinc/59/81/20/648598120.db2.gz MWJICRINYYQBCT-CQSZACIVSA-N 1 0 394.313 2.105 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1cc(Br)cs1)[C@H]1CC[NH2+]C1 ZINC000423660060 648598475 /nfs/dbraw/zinc/59/84/75/648598475.db2.gz JJEPFLFUJCNPGW-LBPRGKRZSA-N 1 0 388.331 2.070 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000423677008 648599418 /nfs/dbraw/zinc/59/94/18/648599418.db2.gz JNAUJLYCSSOAOG-SWLSCSKDSA-N 1 0 382.302 2.136 20 0 GEADRO Cc1cc(C2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)ccc1Br ZINC000423704760 648599838 /nfs/dbraw/zinc/59/98/38/648599838.db2.gz NHDQOAKQIOHPBZ-ZDUSSCGKSA-N 1 0 396.329 2.269 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000423738056 648600728 /nfs/dbraw/zinc/60/07/28/648600728.db2.gz GTGNWYDRVFHLSS-HNNXBMFYSA-N 1 0 383.286 2.267 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)[C@H]1C[NH3+] ZINC000423726077 648600981 /nfs/dbraw/zinc/60/09/81/648600981.db2.gz IBAWENXBTHLCTF-CJNGLKHVSA-N 1 0 396.329 2.036 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C1 ZINC000423746908 648601189 /nfs/dbraw/zinc/60/11/89/648601189.db2.gz YFMRBIXWBWMHDZ-HIFRSBDPSA-N 1 0 396.329 2.036 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)[C@@H]1C[NH3+] ZINC000423739136 648601304 /nfs/dbraw/zinc/60/13/04/648601304.db2.gz RBIARDHKSDKLIT-GXFFZTMASA-N 1 0 388.331 2.055 20 0 GEADRO COC[C@@]1(C(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC[NH2+]C1 ZINC000423825697 648602620 /nfs/dbraw/zinc/60/26/20/648602620.db2.gz NWYKIEFFHQGXKE-QGZVFWFLSA-N 1 0 383.279 3.052 20 0 GEADRO CC(C)(CNC(=O)c1cn(CCCC[NH3+])nn1)c1ccccc1Br ZINC000423852231 648603082 /nfs/dbraw/zinc/60/30/82/648603082.db2.gz SFLFQZWPDGPEAJ-UHFFFAOYSA-N 1 0 394.317 2.487 20 0 GEADRO [NH3+]C[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C1CCCC1 ZINC000423938389 648603556 /nfs/dbraw/zinc/60/35/56/648603556.db2.gz JBAMNZPJBOEBJQ-HNNXBMFYSA-N 1 0 382.302 2.203 20 0 GEADRO C[C@@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C[C@H]1[NH3+] ZINC000423940342 648603626 /nfs/dbraw/zinc/60/36/26/648603626.db2.gz BXMFHURNDKLYHD-PSASIEDQSA-N 1 0 385.287 2.299 20 0 GEADRO [NH3+]C[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CCCC1 ZINC000423937402 648603629 /nfs/dbraw/zinc/60/36/29/648603629.db2.gz GQRCNPNPPBDEIY-HIFRSBDPSA-N 1 0 394.313 2.436 20 0 GEADRO CN(CC(=O)N[C@@H](C[NH3+])C(C)(C)C)C(=O)c1ccc(Br)s1 ZINC000423945297 648604139 /nfs/dbraw/zinc/60/41/39/648604139.db2.gz ASOSZLQJSHTEEH-JTQLQIEISA-N 1 0 376.320 2.072 20 0 GEADRO O=C(Cc1cccc(Br)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423944517 648604231 /nfs/dbraw/zinc/60/42/31/648604231.db2.gz FULGQBZBADYSER-UHFFFAOYSA-N 1 0 380.330 2.324 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423951777 648605176 /nfs/dbraw/zinc/60/51/76/648605176.db2.gz ZNBWCIQJCDYNHE-IAQYHMDHSA-N 1 0 382.302 2.201 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423951779 648605235 /nfs/dbraw/zinc/60/52/35/648605235.db2.gz ZNBWCIQJCDYNHE-NHYWBVRUSA-N 1 0 382.302 2.201 20 0 GEADRO C[C@@H]1CN(C(=O)COc2cccc(I)c2)C[C@@]1(C)C[NH3+] ZINC000423973326 648606252 /nfs/dbraw/zinc/60/62/52/648606252.db2.gz ABFZDWNIRNDFBH-IAQYHMDHSA-N 1 0 388.249 2.113 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423982157 648606921 /nfs/dbraw/zinc/60/69/21/648606921.db2.gz ZHUUURDOTJYYIQ-CYBMUJFWSA-N 1 0 391.331 2.264 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423988938 648607308 /nfs/dbraw/zinc/60/73/08/648607308.db2.gz YWQDNDSKEPVKBP-IQMDTDKHSA-N 1 0 388.331 2.072 20 0 GEADRO Cc1cc(Br)cc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000423993482 648607541 /nfs/dbraw/zinc/60/75/41/648607541.db2.gz ARZAJMTYAIXWDB-HNNXBMFYSA-N 1 0 378.274 2.285 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)nn1 ZINC000423997397 648607917 /nfs/dbraw/zinc/60/79/17/648607917.db2.gz HWQBSZNKXOGEJO-LBPRGKRZSA-N 1 0 382.237 2.116 20 0 GEADRO CCOc1c(Br)cc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000424006844 648609161 /nfs/dbraw/zinc/60/91/61/648609161.db2.gz BPUJJDANDBMONX-GFCCVEGCSA-N 1 0 387.274 2.046 20 0 GEADRO C[C@@H]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000424013620 648609668 /nfs/dbraw/zinc/60/96/68/648609668.db2.gz KSLVWPZZAPEWBI-MNOVXSKESA-N 1 0 388.331 2.026 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000424009447 648609758 /nfs/dbraw/zinc/60/97/58/648609758.db2.gz JIAWYLRKFPXOPQ-HZPDHXFCSA-N 1 0 395.297 2.377 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424014287 648610285 /nfs/dbraw/zinc/61/02/85/648610285.db2.gz LJGVGXJCPYOFNO-VWYCJHECSA-N 1 0 388.331 2.072 20 0 GEADRO C[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000424081092 648611236 /nfs/dbraw/zinc/61/12/36/648611236.db2.gz WFNXTLKNKIYDTN-BZPMIXESSA-N 1 0 382.302 2.011 20 0 GEADRO COc1ccc(Br)cc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424098011 648613113 /nfs/dbraw/zinc/61/31/13/648613113.db2.gz SGLHMGKWHYFCFJ-LLVKDONJSA-N 1 0 380.246 2.226 20 0 GEADRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1=O ZINC000424213331 648619176 /nfs/dbraw/zinc/61/91/76/648619176.db2.gz UWHNNHOFOGSAEQ-SNVBAGLBSA-N 1 0 377.185 2.288 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)C[C@H]1c1ccc(Br)cc1 ZINC000424214220 648619279 /nfs/dbraw/zinc/61/92/79/648619279.db2.gz CBNGJZKJLYOEHZ-LSDHHAIUSA-N 1 0 395.297 2.293 20 0 GEADRO CC(C)n1cc(Br)cc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424225312 648620500 /nfs/dbraw/zinc/62/05/00/648620500.db2.gz MBHKLHAMWRWZCB-UONOGXRCSA-N 1 0 380.290 2.132 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3cccc(Br)c3Cl)C[C@H]2[NH3+])cn1 ZINC000424228453 648621200 /nfs/dbraw/zinc/62/12/00/648621200.db2.gz STKKPDUZGRLMSX-WCQYABFASA-N 1 0 383.677 2.403 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3c(F)cc(Br)cc3F)C[C@H]2[NH3+])cn1 ZINC000424229974 648621224 /nfs/dbraw/zinc/62/12/24/648621224.db2.gz YWXWVVYPCNXLHD-GXFFZTMASA-N 1 0 385.212 2.028 20 0 GEADRO C[C@@H]1CC2(CN1C(=O)CNC(=O)c1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424244525 648621612 /nfs/dbraw/zinc/62/16/12/648621612.db2.gz SQWABOOPMICVPK-CYBMUJFWSA-N 1 0 394.313 2.170 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424334680 648623385 /nfs/dbraw/zinc/62/33/85/648623385.db2.gz NWSLHRHEHZJPQV-TZMCWYRMSA-N 1 0 387.265 2.398 20 0 GEADRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000424374717 648625729 /nfs/dbraw/zinc/62/57/29/648625729.db2.gz LOLUJNRJKGEPRA-OASPWFOLSA-N 1 0 376.320 2.017 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424395708 648626688 /nfs/dbraw/zinc/62/66/88/648626688.db2.gz VYNLVDFJOCLESL-LBPRGKRZSA-N 1 0 386.901 2.279 20 0 GEADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCSC[C@H]2c2nccs2)c1 ZINC000424474000 648629994 /nfs/dbraw/zinc/62/99/94/648629994.db2.gz XHGCCMVVTHWQAH-AWEZNQCLSA-N 1 0 376.507 2.165 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000424860677 648654063 /nfs/dbraw/zinc/65/40/63/648654063.db2.gz DZCULGKZUDJIGF-CYBMUJFWSA-N 1 0 385.302 2.343 20 0 GEADRO Cc1cnc(NC2CCN(CC[NH+](C)C)CC2)c(I)c1 ZINC000425208748 648670449 /nfs/dbraw/zinc/67/04/49/648670449.db2.gz POCCQUKCYQMZDM-UHFFFAOYSA-N 1 0 388.297 2.433 20 0 GEADRO CC[N@H+](CCNC(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F)CCC(F)(F)F ZINC000425990028 648703074 /nfs/dbraw/zinc/70/30/74/648703074.db2.gz VRNLMLVDLALWJI-WDEREUQCSA-N 1 0 379.345 2.358 20 0 GEADRO C[C@H]1CN(CCOc2ccc(Cl)cc2Br)CC[N@@H+]1CCO ZINC000426527007 648710836 /nfs/dbraw/zinc/71/08/36/648710836.db2.gz VAQKATLTRAVGIG-LBPRGKRZSA-N 1 0 377.710 2.480 20 0 GEADRO CCNC(=O)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426782654 648714609 /nfs/dbraw/zinc/71/46/09/648714609.db2.gz HIYZHDKNUUDRAG-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]2C1 ZINC000427774931 648729571 /nfs/dbraw/zinc/72/95/71/648729571.db2.gz AHJIBZYIZVONOS-MBNYWOFBSA-N 1 0 382.291 2.366 20 0 GEADRO C[C@@H](CNC(=O)NC[C@H](CO)Cc1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000428585660 648739344 /nfs/dbraw/zinc/73/93/44/648739344.db2.gz ZXGWOUZHFURBAU-DZGCQCFKSA-N 1 0 398.345 2.382 20 0 GEADRO O=C(CSc1ccccc1Cl)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428613041 648741267 /nfs/dbraw/zinc/74/12/67/648741267.db2.gz CRJFKPIGOAHFCB-CQSZACIVSA-N 1 0 381.929 2.103 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C[C@@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022486 648743041 /nfs/dbraw/zinc/74/30/41/648743041.db2.gz SLJVWSHGAAKZPE-NVXWUHKLSA-N 1 0 387.293 2.356 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)CCC(=O)c1ccc(I)cc1 ZINC000429154212 648746560 /nfs/dbraw/zinc/74/65/60/648746560.db2.gz ZFFDGBYYWAPNGB-CYBMUJFWSA-N 1 0 388.249 2.354 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000429158369 648747101 /nfs/dbraw/zinc/74/71/01/648747101.db2.gz KDSUJIKFDBRLAP-OBJOEFQTSA-N 1 0 382.302 2.153 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)C1(CO)CCC1 ZINC000429236117 648747693 /nfs/dbraw/zinc/74/76/93/648747693.db2.gz KXQPMCHLFTZDPM-UHFFFAOYSA-N 1 0 385.302 2.133 20 0 GEADRO COCC[C@]1(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000429887396 648757835 /nfs/dbraw/zinc/75/78/35/648757835.db2.gz IQLDYPQBBMSWLC-SJLPKXTDSA-N 1 0 397.313 2.365 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CSc1cccc(Br)c1 ZINC000429897496 648758555 /nfs/dbraw/zinc/75/85/55/648758555.db2.gz LMRRJFKWACUSIM-HNNXBMFYSA-N 1 0 375.332 2.360 20 0 GEADRO C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)[C@H]1C[NH3+] ZINC000430555003 648763546 /nfs/dbraw/zinc/76/35/46/648763546.db2.gz WXLGEPZVFFJWPG-DOMZBBRYSA-N 1 0 375.332 2.282 20 0 GEADRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430741511 648767521 /nfs/dbraw/zinc/76/75/21/648767521.db2.gz JGKMAMDPURJJRS-NSHDSACASA-N 1 0 391.331 2.300 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000432831111 648781305 /nfs/dbraw/zinc/78/13/05/648781305.db2.gz STYIJTPPZHCRTC-CQSZACIVSA-N 1 0 397.313 2.390 20 0 GEADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1nn(C)cc1Br ZINC000432836515 648781481 /nfs/dbraw/zinc/78/14/81/648781481.db2.gz NLCODEGUKRTFJF-UHFFFAOYSA-N 1 0 392.345 2.437 20 0 GEADRO COC(=O)c1nscc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435646050 648784148 /nfs/dbraw/zinc/78/41/48/648784148.db2.gz OXLJGCNJAIJKPW-ZDUSSCGKSA-N 1 0 387.527 2.005 20 0 GEADRO CSc1ccc(CC[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000435735701 648786515 /nfs/dbraw/zinc/78/65/15/648786515.db2.gz PINGZNFYKCNARH-GOSISDBHSA-N 1 0 379.551 2.471 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435783114 648787381 /nfs/dbraw/zinc/78/73/81/648787381.db2.gz VJLDEMFHCJJQGW-AWEZNQCLSA-N 1 0 380.286 2.477 20 0 GEADRO C[NH+](C)C1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000435816685 648788366 /nfs/dbraw/zinc/78/83/66/648788366.db2.gz FASIGOCPZHRREW-AWEZNQCLSA-N 1 0 380.286 2.428 20 0 GEADRO C[NH2+]CCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000435879562 648789268 /nfs/dbraw/zinc/78/92/68/648789268.db2.gz KVFWXHXTWNPKCA-UHFFFAOYSA-N 1 0 399.866 2.275 20 0 GEADRO CC[N@@H+]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438849588 648807053 /nfs/dbraw/zinc/80/70/53/648807053.db2.gz SCSPHLRYJBSRBD-OAHLLOKOSA-N 1 0 375.282 2.356 20 0 GEADRO O=C(C[N@@H+](CCO)[C@@H]1CCCSC1)NCCc1nc2ccccc2s1 ZINC000439008574 648807965 /nfs/dbraw/zinc/80/79/65/648807965.db2.gz WSEIAGRLBCLGFZ-CQSZACIVSA-N 1 0 379.551 2.145 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)C1 ZINC000439135655 648809159 /nfs/dbraw/zinc/80/91/59/648809159.db2.gz QSFJAIWCTJYYJK-HNNXBMFYSA-N 1 0 380.432 2.264 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440754426 648812086 /nfs/dbraw/zinc/81/20/86/648812086.db2.gz GVTLKWSUGPSALE-NXEZZACHSA-N 1 0 395.294 2.263 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000440754915 648812411 /nfs/dbraw/zinc/81/24/11/648812411.db2.gz ONPHZZHQIIXQER-TZMCWYRMSA-N 1 0 376.906 2.161 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000440756717 648812421 /nfs/dbraw/zinc/81/24/21/648812421.db2.gz JWIZMJQWBNZMQX-UHFFFAOYSA-N 1 0 378.922 2.361 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440761850 648812940 /nfs/dbraw/zinc/81/29/40/648812940.db2.gz PWFHXGBYJINCFH-NSHDSACASA-N 1 0 377.279 2.412 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000440807582 648814159 /nfs/dbraw/zinc/81/41/59/648814159.db2.gz INHOMDHQGKJVBH-NSHDSACASA-N 1 0 389.315 2.134 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000440838190 648815968 /nfs/dbraw/zinc/81/59/68/648815968.db2.gz NYKMBWCVVOXUOV-OCCSQVGLSA-N 1 0 376.906 2.174 20 0 GEADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2nc(C)c(C)s2)cc1 ZINC000440852787 648817476 /nfs/dbraw/zinc/81/74/76/648817476.db2.gz YBDIZEDAZOYEHV-CVEARBPZSA-N 1 0 381.523 2.193 20 0 GEADRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000441120408 648820821 /nfs/dbraw/zinc/82/08/21/648820821.db2.gz WOJBDARYJDXEKM-QWRGUYRKSA-N 1 0 386.265 2.468 20 0 GEADRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C[C@H]1C ZINC000441120404 648820894 /nfs/dbraw/zinc/82/08/94/648820894.db2.gz WOJBDARYJDXEKM-GHMZBOCLSA-N 1 0 386.265 2.468 20 0 GEADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NC[C@H](C)C[NH3+] ZINC000441622085 648832758 /nfs/dbraw/zinc/83/27/58/648832758.db2.gz CRUXVFPIQSSQEZ-IUODEOHRSA-N 1 0 399.333 2.128 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[N@@H+]1C ZINC000442132758 648838763 /nfs/dbraw/zinc/83/87/63/648838763.db2.gz QBZXLLYIOAIUJO-WPRPVWTQSA-N 1 0 390.228 2.265 20 0 GEADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000442726704 648848085 /nfs/dbraw/zinc/84/80/85/648848085.db2.gz YJXOURRUKVFVIV-MNOVXSKESA-N 1 0 388.331 2.240 20 0 GEADRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442868632 648851418 /nfs/dbraw/zinc/85/14/18/648851418.db2.gz OHVCGWFVYYMFPR-AWEZNQCLSA-N 1 0 386.880 2.158 20 0 GEADRO C[N@@H+]1CCN(CCNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000443089132 648860872 /nfs/dbraw/zinc/86/08/72/648860872.db2.gz OWFXEKHICWKDHR-UHFFFAOYSA-N 1 0 394.368 2.439 20 0 GEADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443312146 648871838 /nfs/dbraw/zinc/87/18/38/648871838.db2.gz NGCWDPGUTSZHEX-DTWKUNHWSA-N 1 0 378.292 2.022 20 0 GEADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443807524 648888947 /nfs/dbraw/zinc/88/89/47/648888947.db2.gz HJXLPCWQJYCIPW-CYBMUJFWSA-N 1 0 397.317 2.377 20 0 GEADRO Cc1nc(COc2ccc(C[NH+]3CCC(S(N)(=O)=O)CC3)cc2)cs1 ZINC000443850189 648889305 /nfs/dbraw/zinc/88/93/05/648889305.db2.gz FPDCHWNPMOHTTE-UHFFFAOYSA-N 1 0 381.523 2.283 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000548078766 651063334 /nfs/dbraw/zinc/06/33/34/651063334.db2.gz MTSMCSQTEKZGBW-UHFFFAOYSA-N 1 0 385.302 2.049 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000548504514 651078911 /nfs/dbraw/zinc/07/89/11/651078911.db2.gz CUJGXDMJTJCCII-CABCVRRESA-N 1 0 381.523 2.361 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc(Br)c(F)cc1F)[NH+]1CCCC1 ZINC000548698308 651083271 /nfs/dbraw/zinc/08/32/71/651083271.db2.gz OIKPUCIQJPOTRY-VIFPVBQESA-N 1 0 383.258 2.490 20 0 GEADRO COc1ccc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(Br)c1 ZINC000548926895 651089266 /nfs/dbraw/zinc/08/92/66/651089266.db2.gz DVJAPALQDIIUHW-UHFFFAOYSA-N 1 0 384.318 2.214 20 0 GEADRO CCN1CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549479244 651097706 /nfs/dbraw/zinc/09/77/06/651097706.db2.gz ZJYAWMXZHSBLOB-DLBZAZTESA-N 1 0 391.940 2.486 20 0 GEADRO C[N@@H+]1CCN(CCNS(=O)(=O)Cc2ccc(C(F)F)cc2)CC1(C)C ZINC000549825725 651101663 /nfs/dbraw/zinc/10/16/63/651101663.db2.gz ZKZYIUYXYHDQKI-UHFFFAOYSA-N 1 0 375.485 2.070 20 0 GEADRO OCC1(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)COC1 ZINC000550138379 651105505 /nfs/dbraw/zinc/10/55/05/651105505.db2.gz DTUUHKNUWOQHQX-UHFFFAOYSA-N 1 0 388.277 2.278 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCOCC(F)(F)C(F)(F)F)C1 ZINC000550215559 651107319 /nfs/dbraw/zinc/10/73/19/651107319.db2.gz BCEKICSUKFRDQB-GFCCVEGCSA-N 1 0 376.366 2.064 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000550284855 651108654 /nfs/dbraw/zinc/10/86/54/651108654.db2.gz XCZCGGLPGSARAX-UHFFFAOYSA-N 1 0 396.329 2.302 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[NH+](CC)CC ZINC000550329654 651109473 /nfs/dbraw/zinc/10/94/73/651109473.db2.gz DDVUSXSGUFAUCT-UHFFFAOYSA-N 1 0 384.318 2.256 20 0 GEADRO O=C(c1ccc2c[nH+]cn2c1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000550392064 651110468 /nfs/dbraw/zinc/11/04/68/651110468.db2.gz DJPLFLNPEGMGLC-INIZCTEOSA-N 1 0 399.248 2.410 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000550455075 651111925 /nfs/dbraw/zinc/11/19/25/651111925.db2.gz WVMVLSRSNUGWJY-INIZCTEOSA-N 1 0 396.329 2.051 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1C(F)(F)F ZINC000551162817 651118873 /nfs/dbraw/zinc/11/88/73/651118873.db2.gz SKICCEVSTMPWQD-SNVBAGLBSA-N 1 0 382.404 2.111 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000551175225 651119261 /nfs/dbraw/zinc/11/92/61/651119261.db2.gz ITCLEHLWLIXPRY-OGVSOVDVSA-N 1 0 375.481 2.309 20 0 GEADRO C[C@H](C[NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000551229916 651120793 /nfs/dbraw/zinc/12/07/93/651120793.db2.gz BDSIDKBFIHQWKL-GFCCVEGCSA-N 1 0 376.316 2.082 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2ccc(Br)cc2C1 ZINC000551313975 651122153 /nfs/dbraw/zinc/12/21/53/651122153.db2.gz RRQTUGNHZDSNBT-CQSZACIVSA-N 1 0 395.345 2.153 20 0 GEADRO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000551404367 651123832 /nfs/dbraw/zinc/12/38/32/651123832.db2.gz YHKSJUBUQPWNHO-ROUUACIJSA-N 1 0 399.329 2.128 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000551629484 651128361 /nfs/dbraw/zinc/12/83/61/651128361.db2.gz FKBBUVFEXADCDV-CQSZACIVSA-N 1 0 398.345 2.344 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H](C)CCS(C)(=O)=O)c(Br)c1 ZINC000551804064 651133014 /nfs/dbraw/zinc/13/30/14/651133014.db2.gz NLKGVELNVHWSOY-SNVBAGLBSA-N 1 0 378.288 2.149 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCN2CCOCC2(C)C)c(Br)c1 ZINC000551804529 651133034 /nfs/dbraw/zinc/13/30/34/651133034.db2.gz FEEVIHRTGMPDAD-UHFFFAOYSA-N 1 0 385.302 2.436 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000551854605 651134538 /nfs/dbraw/zinc/13/45/38/651134538.db2.gz YTTKBRXMYXYRSI-CZUORRHYSA-N 1 0 396.329 2.097 20 0 GEADRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000551900610 651135575 /nfs/dbraw/zinc/13/55/75/651135575.db2.gz VKVPMYGWVDNXNT-YVEFUNNKSA-N 1 0 393.285 2.489 20 0 GEADRO Cc1nc(-c2ccc(CC[NH2+]CC3(O)CCS(=O)(=O)CC3)s2)cs1 ZINC000551907816 651135911 /nfs/dbraw/zinc/13/59/11/651135911.db2.gz KVTKTXUCQNDFFQ-UHFFFAOYSA-N 1 0 386.564 2.252 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000551981208 651136360 /nfs/dbraw/zinc/13/63/60/651136360.db2.gz LIQTVZUWIINNHP-SNVBAGLBSA-N 1 0 395.308 2.400 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000552096609 651140267 /nfs/dbraw/zinc/14/02/67/651140267.db2.gz GHKOJZRTCAEGLM-OAHLLOKOSA-N 1 0 382.917 2.327 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000552195499 651143106 /nfs/dbraw/zinc/14/31/06/651143106.db2.gz OTMDLTCBQRYPOM-MEDUHNTESA-N 1 0 384.307 2.251 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000552448948 651149532 /nfs/dbraw/zinc/14/95/32/651149532.db2.gz JYLQXTVZYPYNRW-GFCCVEGCSA-N 1 0 399.563 2.099 20 0 GEADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCN(CC(F)(F)F)CC1 ZINC000553306532 651171277 /nfs/dbraw/zinc/17/12/77/651171277.db2.gz TXJXMWKRVDEICX-OAHLLOKOSA-N 1 0 379.492 2.301 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000553347606 651172375 /nfs/dbraw/zinc/17/23/75/651172375.db2.gz AUULODRQCQCYSR-HNNXBMFYSA-N 1 0 382.302 2.170 20 0 GEADRO CC[C@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C)[NH+](CC)CC ZINC000553650320 651184372 /nfs/dbraw/zinc/18/43/72/651184372.db2.gz VZFAWQJQTFUUQR-OAHLLOKOSA-N 1 0 389.949 2.163 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000553649250 651184424 /nfs/dbraw/zinc/18/44/24/651184424.db2.gz XZAYGBFLRCXEOX-BXUZGUMPSA-N 1 0 382.302 2.447 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCn2cc(Br)cn2)C1 ZINC000553787325 651188455 /nfs/dbraw/zinc/18/84/55/651188455.db2.gz MXQRRMVWOBVIRL-OKILXGFUSA-N 1 0 386.338 2.313 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000554137087 651198333 /nfs/dbraw/zinc/19/83/33/651198333.db2.gz VQCKDQPNWAOMPM-QWRGUYRKSA-N 1 0 376.238 2.125 20 0 GEADRO Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1Br ZINC000554453000 651204673 /nfs/dbraw/zinc/20/46/73/651204673.db2.gz POIXSJIYNISMER-UHFFFAOYSA-N 1 0 396.329 2.480 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000554729306 651211849 /nfs/dbraw/zinc/21/18/49/651211849.db2.gz CTLWGSSZDMLYET-JTQLQIEISA-N 1 0 380.436 2.139 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(Br)cn2)cc1O ZINC000554884107 651214918 /nfs/dbraw/zinc/21/49/18/651214918.db2.gz HMMOZPFLCAZZDO-CYBMUJFWSA-N 1 0 381.270 2.499 20 0 GEADRO C[NH+](C)CC1CCN(c2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000555120754 651218371 /nfs/dbraw/zinc/21/83/71/651218371.db2.gz 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GEADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000717134660 651474763 /nfs/dbraw/zinc/47/47/63/651474763.db2.gz SAWBDYOTSZZUEE-GFCCVEGCSA-N 1 0 382.473 2.046 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)CC[C@@H]1C(F)(F)F ZINC000717085315 651474821 /nfs/dbraw/zinc/47/48/21/651474821.db2.gz REUGNZRRQJVMBA-NKWVEPMBSA-N 1 0 393.250 2.411 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2sccc2Br)CC[C@@H]1C(F)(F)F ZINC000717082419 651474836 /nfs/dbraw/zinc/47/48/36/651474836.db2.gz MEJPVNNYQTZDJL-POYBYMJQSA-N 1 0 393.250 2.411 20 0 GEADRO COc1c(Br)cc(C[NH2+]C[C@H](O)[C@H](C)O)cc1Br ZINC000717318525 651474844 /nfs/dbraw/zinc/47/48/44/651474844.db2.gz RDSRXSMBVNGMGE-CPCISQLKSA-N 1 0 383.080 2.052 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000642808273 651474978 /nfs/dbraw/zinc/47/49/78/651474978.db2.gz NSRGONNJSJHIOA-YMTOWFKASA-N 1 0 386.265 2.009 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000642906429 651475322 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20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000643080784 651477392 /nfs/dbraw/zinc/47/73/92/651477392.db2.gz WYSYSRZGWHFONG-KBPBESRZSA-N 1 0 384.249 2.270 20 0 GEADRO C[C@H]1CCN(C)CCN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000603353450 651483650 /nfs/dbraw/zinc/48/36/50/651483650.db2.gz CXVNFQGDAMBOHZ-AWEZNQCLSA-N 1 0 385.555 2.089 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c(Cl)c1 ZINC000603384002 651487703 /nfs/dbraw/zinc/48/77/03/651487703.db2.gz RVJOWSTWGWQZRO-UHFFFAOYSA-N 1 0 386.901 2.233 20 0 GEADRO O=C(C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643487267 651488674 /nfs/dbraw/zinc/48/86/74/651488674.db2.gz CMOQFJWERHFGHJ-DVOMOZLQSA-N 1 0 382.291 2.335 20 0 GEADRO Cc1c(Br)cccc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000562192973 651488813 /nfs/dbraw/zinc/48/88/13/651488813.db2.gz NODARDFZBNNIKE-UHFFFAOYSA-N 1 0 396.329 2.480 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)c2ncc(I)s2)C1 ZINC000603426263 651489779 /nfs/dbraw/zinc/48/97/79/651489779.db2.gz DBNBSSWZDJYILK-VIFPVBQESA-N 1 0 379.267 2.209 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)c(Br)c1 ZINC000643549930 651489925 /nfs/dbraw/zinc/48/99/25/651489925.db2.gz XKKARVZTDNSREI-UHFFFAOYSA-N 1 0 380.286 2.359 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ncc(I)s1 ZINC000603428254 651490038 /nfs/dbraw/zinc/49/00/38/651490038.db2.gz RPMMBFTYXMZYHA-DTWKUNHWSA-N 1 0 377.251 2.104 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ncc(I)s2)C1 ZINC000603428217 651490075 /nfs/dbraw/zinc/49/00/75/651490075.db2.gz QKLSYOGSVLIMFD-VIFPVBQESA-N 1 0 379.267 2.208 20 0 GEADRO O=C(Cn1cnc2sccc2c1=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000643602853 651490459 /nfs/dbraw/zinc/49/04/59/651490459.db2.gz KFMJYMRXUXFRSS-UHFFFAOYSA-N 1 0 375.479 2.020 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)c2ncc(I)s2)CC1 ZINC000603430376 651490675 /nfs/dbraw/zinc/49/06/75/651490675.db2.gz HLGSMSDYFKDAHU-UHFFFAOYSA-N 1 0 379.267 2.209 20 0 GEADRO O=S1(=O)CCC(C[NH2+]Cc2ccc(I)cc2)CC1 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OC[C@@H]([NH2+]Cc1nnc(-c2ccccc2Br)o1)C1CCOCC1 ZINC000564002664 651550310 /nfs/dbraw/zinc/55/03/10/651550310.db2.gz PYBROAXGNXCMSP-CQSZACIVSA-N 1 0 382.258 2.376 20 0 GEADRO CC1(C)COCCN1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000644545922 651553061 /nfs/dbraw/zinc/55/30/61/651553061.db2.gz GVMBLRBLZAFQQM-AWEZNQCLSA-N 1 0 377.312 2.434 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1)CCC2 ZINC000644553774 651553713 /nfs/dbraw/zinc/55/37/13/651553713.db2.gz NDVYPWFILUGWLT-GLQYFDAESA-N 1 0 378.416 2.147 20 0 GEADRO CN(c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1)S(C)(=O)=O ZINC000644561878 651554089 /nfs/dbraw/zinc/55/40/89/651554089.db2.gz XQIAVASEUAYDTM-SFHVURJKSA-N 1 0 382.913 2.429 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000644573309 651555359 /nfs/dbraw/zinc/55/53/59/651555359.db2.gz OVDUXYRXUDGJOH-OWCLPIDISA-N 1 0 375.918 2.163 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000606724528 651557781 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O=S(=O)(CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1)N1CCSCC1 ZINC000564379382 651563384 /nfs/dbraw/zinc/56/33/84/651563384.db2.gz MVSCLTMNAIKLMV-UHFFFAOYSA-N 1 0 376.494 2.179 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644731847 651565245 /nfs/dbraw/zinc/56/52/45/651565245.db2.gz OSSIRHBXOABXCN-WHOFXGATSA-N 1 0 389.721 2.478 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CCC2(CC[NH2+]2)CC1 ZINC000564440489 651567041 /nfs/dbraw/zinc/56/70/41/651567041.db2.gz MFHFBPCPLJIEKU-UHFFFAOYSA-N 1 0 380.286 2.422 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)[C@@H]2C1 ZINC000644811419 651569615 /nfs/dbraw/zinc/56/96/15/651569615.db2.gz APZUQIUFXRMHMG-BLLLJJGKSA-N 1 0 375.270 2.411 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000644813489 651569815 /nfs/dbraw/zinc/56/98/15/651569815.db2.gz HEYGUGVXTCDGQI-BLLLJJGKSA-N 1 0 375.270 2.411 20 0 GEADRO CCn1c(SCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)nnc1-c1cccs1 ZINC000644819395 651570840 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O=C(NCC1(c2cccc(Br)c2)CCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000564787252 651579140 /nfs/dbraw/zinc/57/91/40/651579140.db2.gz ZLNOBHSAYPZDRK-UHFFFAOYSA-N 1 0 394.313 2.255 20 0 GEADRO O=S1(=O)CC[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)c2cc(Br)ccc21 ZINC000564793506 651579811 /nfs/dbraw/zinc/57/98/11/651579811.db2.gz WFZDAHNAFGNZSH-DGCLKSJQSA-N 1 0 395.269 2.254 20 0 GEADRO Cc1ccc(Br)cc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000607898138 651580215 /nfs/dbraw/zinc/58/02/15/651580215.db2.gz LPKJEXZYTQFOFT-INIZCTEOSA-N 1 0 394.313 2.312 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000607903166 651580699 /nfs/dbraw/zinc/58/06/99/651580699.db2.gz LFPDKVIWEBEIGS-UKRRQHHQSA-N 1 0 385.302 2.443 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000564890119 651583639 /nfs/dbraw/zinc/58/36/39/651583639.db2.gz PQCSUGPNRQLDMF-SNVBAGLBSA-N 1 0 384.303 2.126 20 0 GEADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000564975411 651585434 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C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CCO1 ZINC000646854019 651724095 /nfs/dbraw/zinc/72/40/95/651724095.db2.gz OUYJRVBFUYEDDQ-RRQGHBQHSA-N 1 0 396.329 2.161 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CCO1 ZINC000646854020 651724245 /nfs/dbraw/zinc/72/42/45/651724245.db2.gz OUYJRVBFUYEDDQ-XKQJLSEDSA-N 1 0 396.329 2.161 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)C(=O)Nc1cccc(Cl)c1Cl)CCO2 ZINC000646890465 651725831 /nfs/dbraw/zinc/72/58/31/651725831.db2.gz SNNPSRYQZVPDMM-UHFFFAOYSA-N 1 0 386.279 2.255 20 0 GEADRO CO[C@@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000569811465 651725990 /nfs/dbraw/zinc/72/59/90/651725990.db2.gz ZBVMJRLEGPSEPR-QWHCGFSZSA-N 1 0 388.281 2.355 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)[C@H]2C1 ZINC000646916517 651727697 /nfs/dbraw/zinc/72/76/97/651727697.db2.gz KDVUYIJEDHUPTJ-CJNGLKHVSA-N 1 0 375.270 2.411 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]34CCC(=O)N3c3cc(Cl)ccc3S4)[C@@H]2C1 ZINC000646920421 651728539 /nfs/dbraw/zinc/72/85/39/651728539.db2.gz REPFCWHTXLFEPZ-FVMIAERFSA-N 1 0 377.897 2.431 20 0 GEADRO CC[S@@](=O)CC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000733900660 651728800 /nfs/dbraw/zinc/72/88/00/651728800.db2.gz YMIHKAXKLVYOOZ-LJQANCHMSA-N 1 0 397.278 2.167 20 0 GEADRO CCCN(C(=O)C(=O)NCc1cc(C)ccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000647080859 651733845 /nfs/dbraw/zinc/73/38/45/651733845.db2.gz WNLLXASYRMDGLY-HNNXBMFYSA-N 1 0 396.329 2.316 20 0 GEADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000647187487 651734814 /nfs/dbraw/zinc/73/48/14/651734814.db2.gz OVQSMQRPUQYSGB-GFCCVEGCSA-N 1 0 375.372 2.087 20 0 GEADRO CNc1cc(I)ccc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000569936278 651735177 /nfs/dbraw/zinc/73/51/77/651735177.db2.gz CCUCWAALRAVQNK-NSHDSACASA-N 1 0 387.265 2.405 20 0 GEADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000647200691 651735234 /nfs/dbraw/zinc/73/52/34/651735234.db2.gz ZPKRPVBVHUEQLG-KGLIPLIRSA-N 1 0 388.917 2.115 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)c(F)c1 ZINC000647199936 651735251 /nfs/dbraw/zinc/73/52/51/651735251.db2.gz ZMWLTQPTVQPIAB-AWEZNQCLSA-N 1 0 383.876 2.495 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000647201429 651735317 /nfs/dbraw/zinc/73/53/17/651735317.db2.gz MTIFBYJDXIAPHK-VIFPVBQESA-N 1 0 381.267 2.017 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000647202136 651735781 /nfs/dbraw/zinc/73/57/81/651735781.db2.gz NPTZOWINSFVNLF-NSHDSACASA-N 1 0 397.324 2.439 20 0 GEADRO CC(C)Cn1nccc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000647208735 651735812 /nfs/dbraw/zinc/73/58/12/651735812.db2.gz AVYCELXVVKJGLY-UHFFFAOYSA-N 1 0 388.896 2.400 20 0 GEADRO CC(C)Cn1nccc1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000647209659 651736096 /nfs/dbraw/zinc/73/60/96/651736096.db2.gz UHFNTFZSPVOOOA-UHFFFAOYSA-N 1 0 388.896 2.400 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cncnc2OC)cc1Br ZINC000647215561 651736591 /nfs/dbraw/zinc/73/65/91/651736591.db2.gz YUXSPNIZDMSITR-ZDUSSCGKSA-N 1 0 396.285 2.197 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)CC[C@@H]1[NH3+] ZINC000647222571 651737381 /nfs/dbraw/zinc/73/73/81/651737381.db2.gz DQZJEJPMQPVVKW-YGRLFVJLSA-N 1 0 386.315 2.299 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)s1 ZINC000647227642 651737658 /nfs/dbraw/zinc/73/76/58/651737658.db2.gz HZAALPXUWCQART-LBPRGKRZSA-N 1 0 385.555 2.098 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1Cl ZINC000647228500 651737892 /nfs/dbraw/zinc/73/78/92/651737892.db2.gz AKFSILVYOYQMHP-UHFFFAOYSA-N 1 0 397.324 2.391 20 0 GEADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647277925 651740529 /nfs/dbraw/zinc/74/05/29/651740529.db2.gz OVCPYRUWOAAIQX-PHIMTYICSA-N 1 0 379.707 2.084 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000647293719 651742342 /nfs/dbraw/zinc/74/23/42/651742342.db2.gz XYCDFUHJWVOPTM-QWRGUYRKSA-N 1 0 395.294 2.087 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000612041105 651742836 /nfs/dbraw/zinc/74/28/36/651742836.db2.gz PUUWYJBYNKSOKU-AWEZNQCLSA-N 1 0 396.329 2.363 20 0 GEADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Br)sc1Cl ZINC000647304591 651742824 /nfs/dbraw/zinc/74/28/24/651742824.db2.gz WHWHQNOGKSRKET-WDSKDSINSA-N 1 0 377.688 2.142 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c1 ZINC000647297666 651742867 /nfs/dbraw/zinc/74/28/67/651742867.db2.gz UETTVCLSVTZZQF-LBPRGKRZSA-N 1 0 390.347 2.407 20 0 GEADRO COC1CC[NH+](CCNC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000612057737 651743433 /nfs/dbraw/zinc/74/34/33/651743433.db2.gz QHVGDVVEZVXRNT-UHFFFAOYSA-N 1 0 399.285 2.061 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)/C=C\c3ccc(Br)o3)CC2)C1 ZINC000734454634 651745869 /nfs/dbraw/zinc/74/58/69/651745869.db2.gz ZECRGNVGZAIDGB-BRLPQQTGSA-N 1 0 382.302 2.294 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C[C@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487200 651746479 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CN(C(=O)CCC1CC[NH2+]CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000570164275 651750541 /nfs/dbraw/zinc/75/05/41/651750541.db2.gz NILGNTMDFGLTIF-INIZCTEOSA-N 1 0 382.302 2.214 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC)Cc2cccc(Br)c2)C1 ZINC000612550641 651761034 /nfs/dbraw/zinc/76/10/34/651761034.db2.gz JJLOPBCPPKOQNO-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000612552747 651761528 /nfs/dbraw/zinc/76/15/28/651761528.db2.gz WKJCQNJZKLLWLD-OAHLLOKOSA-N 1 0 382.302 2.008 20 0 GEADRO C[C@H](NC(=O)[C@H](C)N(C)CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000647835381 651762156 /nfs/dbraw/zinc/76/21/56/651762156.db2.gz WNTRSKYVOVXKRM-KBPBESRZSA-N 1 0 387.355 2.396 20 0 GEADRO CC1(C)C[NH2+]CCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647840595 651762608 /nfs/dbraw/zinc/76/26/08/651762608.db2.gz KHLVNKRQTKOHOS-AWEZNQCLSA-N 1 0 380.286 2.012 20 0 GEADRO Cc1sc2ncnc(SCCC(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)c2c1C ZINC000647875874 651763728 /nfs/dbraw/zinc/76/37/28/651763728.db2.gz LNRRWOXVVUUMHI-DGCLKSJQSA-N 1 0 380.539 2.365 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CCO1 ZINC000647877641 651764357 /nfs/dbraw/zinc/76/43/57/651764357.db2.gz YIYIGHYKZNMPKD-CZUORRHYSA-N 1 0 397.313 2.072 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000570398064 651764551 /nfs/dbraw/zinc/76/45/51/651764551.db2.gz AQMVXEZZFDAQFN-YSVLISHTSA-N 1 0 394.313 2.356 20 0 GEADRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000570422222 651766445 /nfs/dbraw/zinc/76/64/45/651766445.db2.gz LSJRUHZNZLHFTD-HIFRSBDPSA-N 1 0 378.416 2.426 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)cc1F ZINC000570438943 651766993 /nfs/dbraw/zinc/76/69/93/651766993.db2.gz QXJKBKNTMMRIQF-UHFFFAOYSA-N 1 0 376.469 2.227 20 0 GEADRO CC[C@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000647936972 651767019 /nfs/dbraw/zinc/76/70/19/651767019.db2.gz ONNDHUCAEYLETB-SWLSCSKDSA-N 1 0 375.332 2.282 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647985819 651768541 /nfs/dbraw/zinc/76/85/41/651768541.db2.gz DEBFXCXENWREIK-KBPBESRZSA-N 1 0 396.329 2.463 20 0 GEADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648054630 651772042 /nfs/dbraw/zinc/77/20/42/651772042.db2.gz RAFQVKNHIPZBJC-WQVCFCJDSA-N 1 0 379.298 2.364 20 0 GEADRO CC(C)([NH3+])CCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000648090984 651773935 /nfs/dbraw/zinc/77/39/35/651773935.db2.gz JTZRBCJTUUGXEO-UHFFFAOYSA-N 1 0 387.571 2.099 20 0 GEADRO C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1nc(-c2ccc(Br)cc2)no1 ZINC000648102274 651774534 /nfs/dbraw/zinc/77/45/34/651774534.db2.gz JQMGCGUGUDURTK-KMLBCRHOSA-N 1 0 377.242 2.142 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000570560154 651774928 /nfs/dbraw/zinc/77/49/28/651774928.db2.gz XUIZMTQDLNWEPE-CQSZACIVSA-N 1 0 389.949 2.245 20 0 GEADRO CC(C)(C)N1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1=O ZINC000648196599 651775860 /nfs/dbraw/zinc/77/58/60/651775860.db2.gz AVYCCINJJUCVPV-GUYCJALGSA-N 1 0 382.302 2.139 20 0 GEADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000570630567 651779528 /nfs/dbraw/zinc/77/95/28/651779528.db2.gz AYBUQUFVBAFIJT-VXGBXAGGSA-N 1 0 381.267 2.263 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000570665958 651781861 /nfs/dbraw/zinc/78/18/61/651781861.db2.gz OFUAPVAJMBDSAB-NSHDSACASA-N 1 0 386.290 2.347 20 0 GEADRO O=C(NCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1cccnc1 ZINC000570675968 651782748 /nfs/dbraw/zinc/78/27/48/651782748.db2.gz XBPQJWRGBFWKAD-AWEZNQCLSA-N 1 0 384.263 2.148 20 0 GEADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000613369279 651784583 /nfs/dbraw/zinc/78/45/83/651784583.db2.gz XZKOOQZFKKSGAN-ZDUSSCGKSA-N 1 0 380.432 2.016 20 0 GEADRO CC[NH+](CC)CCCC1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000613404041 651785808 /nfs/dbraw/zinc/78/58/08/651785808.db2.gz IHMKLEXHUPAVDS-UHFFFAOYSA-N 1 0 387.571 2.370 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ncsc2Br)CC1 ZINC000570713630 651786185 /nfs/dbraw/zinc/78/61/85/651786185.db2.gz WEXCVLMSAHDIGP-UHFFFAOYSA-N 1 0 375.336 2.052 20 0 GEADRO CN(C(=O)Nc1ccc(-c2ccc(Br)s2)nn1)[C@@H]1CC[NH2+]C1 ZINC000570783116 651790681 /nfs/dbraw/zinc/79/06/81/651790681.db2.gz BLMIGVYXMJTAHP-SECBINFHSA-N 1 0 382.287 2.793 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000570782715 651790852 /nfs/dbraw/zinc/79/08/52/651790852.db2.gz FQORKTKMJODAMV-GFCCVEGCSA-N 1 0 398.301 2.372 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)C[C@H](C)n2cc(Br)cn2)CC1 ZINC000648763979 651800628 /nfs/dbraw/zinc/80/06/28/651800628.db2.gz RLZUZZYZNDQZKR-ZDUSSCGKSA-N 1 0 387.322 2.214 20 0 GEADRO C[C@@H](CC(=O)N1CCC(OCC[NH+](C)C)CC1)n1cc(Br)cn1 ZINC000648780897 651802128 /nfs/dbraw/zinc/80/21/28/651802128.db2.gz FLAXFKQRTZILSK-ZDUSSCGKSA-N 1 0 387.322 2.166 20 0 GEADRO C[C@@H](CNC(=O)c1cc2c(cncc2Br)s1)N1CC[NH+](C)CC1 ZINC000648783242 651802596 /nfs/dbraw/zinc/80/25/96/651802596.db2.gz VRTBYMOSDXEJCI-NSHDSACASA-N 1 0 397.342 2.425 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1c(F)ccc(Br)c1OC ZINC000648795885 651804147 /nfs/dbraw/zinc/80/41/47/651804147.db2.gz GCPJBJVMIFMYDX-UHFFFAOYSA-N 1 0 377.254 2.295 20 0 GEADRO CN(C)c1cc(NCc2cccc(NS(C)(=O)=O)c2)[nH+]cc1Br ZINC000648802598 651804913 /nfs/dbraw/zinc/80/49/13/651804913.db2.gz KAYJCDZFEGCJKM-UHFFFAOYSA-N 1 0 399.314 2.894 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[NH+]1CCCC1 ZINC000736074544 651809344 /nfs/dbraw/zinc/80/93/44/651809344.db2.gz GHZUAULYLDNUEP-ZDUSSCGKSA-N 1 0 385.917 2.094 20 0 GEADRO COCC1(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000571087629 651810081 /nfs/dbraw/zinc/81/00/81/651810081.db2.gz CFONOGIFLVZFRA-UHFFFAOYSA-N 1 0 381.325 2.429 20 0 GEADRO Cc1c(Br)ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1F ZINC000649070575 651813989 /nfs/dbraw/zinc/81/39/89/651813989.db2.gz QZCMVMADEZWKPE-LLVKDONJSA-N 1 0 386.265 2.089 20 0 GEADRO C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccc(Br)s1 ZINC000649074590 651815019 /nfs/dbraw/zinc/81/50/19/651815019.db2.gz LZHHXLFJUAOISQ-WDEREUQCSA-N 1 0 388.331 2.193 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000649078272 651815715 /nfs/dbraw/zinc/81/57/15/651815715.db2.gz FACDLSJBNJHAPG-CYBMUJFWSA-N 1 0 394.313 2.059 20 0 GEADRO CN(CC(=O)Nc1ccc(OCC[NH3+])cc1)C(=O)c1ccc(Br)o1 ZINC000571194445 651816372 /nfs/dbraw/zinc/81/63/72/651816372.db2.gz OYBUGJPMHZHNGC-UHFFFAOYSA-N 1 0 396.241 2.090 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000649131166 651817049 /nfs/dbraw/zinc/81/70/49/651817049.db2.gz AKNQQACENKRSJT-UHFFFAOYSA-N 1 0 397.313 2.323 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Br)cc3nc[nH]c31)CCO2 ZINC000649129733 651817092 /nfs/dbraw/zinc/81/70/92/651817092.db2.gz IBUBYPDNKDVJAM-UHFFFAOYSA-N 1 0 393.285 2.262 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)COc1cccc(Br)c1)CCO2 ZINC000649136651 651817714 /nfs/dbraw/zinc/81/77/14/651817714.db2.gz SNTYHHHWXRNNGF-UHFFFAOYSA-N 1 0 383.286 2.151 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C(C)(C)n2cncn2)s1 ZINC000571230181 651819077 /nfs/dbraw/zinc/81/90/77/651819077.db2.gz SWMDKYLDPZRGKN-ZDUSSCGKSA-N 1 0 385.559 2.284 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC000649314434 651822606 /nfs/dbraw/zinc/82/26/06/651822606.db2.gz MBAYCQYNDDVVRS-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000649295945 651822657 /nfs/dbraw/zinc/82/26/57/651822657.db2.gz JLVHKEHBGZRWLE-AWEZNQCLSA-N 1 0 375.822 2.368 20 0 GEADRO [NH3+]C1(CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000571284884 651823180 /nfs/dbraw/zinc/82/31/80/651823180.db2.gz VGJYHYUGCAOTKF-UHFFFAOYSA-N 1 0 394.324 2.050 20 0 GEADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1(c2cccc(Br)c2)CCC1 ZINC000571320567 651825531 /nfs/dbraw/zinc/82/55/31/651825531.db2.gz PSQNNDQOAOCXAW-OAHLLOKOSA-N 1 0 394.313 2.203 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000571439559 651832947 /nfs/dbraw/zinc/83/29/47/651832947.db2.gz QVYMFEDEGQXEIP-QJPTWQEYSA-N 1 0 390.297 2.164 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000649745590 651833853 /nfs/dbraw/zinc/83/38/53/651833853.db2.gz JKZMTCYHOMDKOU-CYBMUJFWSA-N 1 0 378.416 2.477 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000571519832 651836833 /nfs/dbraw/zinc/83/68/33/651836833.db2.gz WOXICHXYDQSOQG-AWEZNQCLSA-N 1 0 378.885 2.194 20 0 GEADRO COCC[NH2+]C1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000571529431 651838590 /nfs/dbraw/zinc/83/85/90/651838590.db2.gz ISFKVHKZJSIRRY-UHFFFAOYSA-N 1 0 395.352 2.468 20 0 GEADRO C[C@H](C[S@@](C)=O)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000571552344 651839461 /nfs/dbraw/zinc/83/94/61/651839461.db2.gz JTNJZWIMFCGVAA-CYKBGDKZSA-N 1 0 384.723 2.199 20 0 GEADRO C[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C[C@H]1[NH3+] ZINC000571656333 651846767 /nfs/dbraw/zinc/84/67/67/651846767.db2.gz JBPMAGRGQSJAJA-CZUORRHYSA-N 1 0 396.329 2.486 20 0 GEADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000571706332 651849025 /nfs/dbraw/zinc/84/90/25/651849025.db2.gz CGCSZCJTQAZCEB-CYBMUJFWSA-N 1 0 377.453 2.138 20 0 GEADRO COC(=O)Cn1cc(C[NH2+][C@H](C)Cc2ccc(F)cc2Br)nn1 ZINC000571797671 651854623 /nfs/dbraw/zinc/85/46/23/651854623.db2.gz SCGZKIXETPRUGO-SNVBAGLBSA-N 1 0 385.237 2.074 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000615265936 651858760 /nfs/dbraw/zinc/85/87/60/651858760.db2.gz KJBITKWEKRWMCR-HUUCEWRRSA-N 1 0 393.285 2.261 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1cc(Br)ccc1F ZINC000615271908 651859393 /nfs/dbraw/zinc/85/93/93/651859393.db2.gz ZONCGJNRHMESSF-JKSUJKDBSA-N 1 0 385.277 2.452 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)CCOc3cccc(Cl)c3Cl)C2)CC1 ZINC000615274895 651859870 /nfs/dbraw/zinc/85/98/70/651859870.db2.gz ROUXDLNENQFKJR-UHFFFAOYSA-N 1 0 386.323 2.468 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3c(F)ccc(Br)c3F)C2)CC1 ZINC000615279621 651860666 /nfs/dbraw/zinc/86/06/66/651860666.db2.gz SBWJGBMYBAZJQL-UHFFFAOYSA-N 1 0 388.256 2.047 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000571905269 651860863 /nfs/dbraw/zinc/86/08/63/651860863.db2.gz OVCRLVBFAYXWSW-MFKMUULPSA-N 1 0 382.262 2.453 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000615319560 651861413 /nfs/dbraw/zinc/86/14/13/651861413.db2.gz RZZCEOQAXUBBFE-FWYOQMDTSA-N 1 0 382.302 2.473 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000615314125 651861475 /nfs/dbraw/zinc/86/14/75/651861475.db2.gz LKECGOUUHGQASJ-FZMZJTMJSA-N 1 0 378.274 2.194 20 0 GEADRO C[C@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1ccc(Cl)cc1Cl ZINC000650559418 651863922 /nfs/dbraw/zinc/86/39/22/651863922.db2.gz UWYYYUCINIFMPF-LBPRGKRZSA-N 1 0 387.311 2.470 20 0 GEADRO C[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1ccc(Cl)cc1Cl ZINC000650559413 651864031 /nfs/dbraw/zinc/86/40/31/651864031.db2.gz UWYYYUCINIFMPF-GFCCVEGCSA-N 1 0 387.311 2.470 20 0 GEADRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1csc(S(N)(=O)=O)c1)CC2 ZINC000615440536 651864701 /nfs/dbraw/zinc/86/47/01/651864701.db2.gz KPENXTIDCHFXFU-UHFFFAOYSA-N 1 0 385.555 2.122 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000572080002 651871520 /nfs/dbraw/zinc/87/15/20/651871520.db2.gz GIWRIHASCBTVDY-SNVBAGLBSA-N 1 0 375.803 2.053 20 0 GEADRO Cc1cc(CNc2cc(N3CCN(C)C(=O)C3)ncn2)ccc1Br ZINC000572099545 651872816 /nfs/dbraw/zinc/87/28/16/651872816.db2.gz IHAODRQBOVGSRJ-UHFFFAOYSA-N 1 0 390.285 2.438 20 0 GEADRO C[C@H]1COCC[N@@H+]1C1CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000572175964 651877569 /nfs/dbraw/zinc/87/75/69/651877569.db2.gz YJZNOPIDPWQTNJ-GUYCJALGSA-N 1 0 396.329 2.161 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651279970 651879031 /nfs/dbraw/zinc/87/90/31/651879031.db2.gz YGBKONLTSLSWOL-ZFWWWQNUSA-N 1 0 396.329 2.067 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2nscc2Br)CC1 ZINC000651285533 651879558 /nfs/dbraw/zinc/87/95/58/651879558.db2.gz AXXWCWHMHZJESV-GFCCVEGCSA-N 1 0 387.347 2.148 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000572242482 651880574 /nfs/dbraw/zinc/88/05/74/651880574.db2.gz MLXJKIWUBAZDAZ-NSHDSACASA-N 1 0 379.309 2.369 20 0 GEADRO COC(=O)c1nn(CN2CCC[C@@H]2C[NH+]2CCCC2)c(C)c1Br ZINC000738103449 651880681 /nfs/dbraw/zinc/88/06/81/651880681.db2.gz DKXWBEAZYPHOGJ-CYBMUJFWSA-N 1 0 385.306 2.258 20 0 GEADRO C[C@H](C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000651461244 651881578 /nfs/dbraw/zinc/88/15/78/651881578.db2.gz PFFBRWJEYYYJFP-YOEHRIQHSA-N 1 0 386.945 2.411 20 0 GEADRO C[NH+](C)CCOC1CCN(CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000738208049 651885939 /nfs/dbraw/zinc/88/59/39/651885939.db2.gz IWEFCWWOPDTFLH-UHFFFAOYSA-N 1 0 381.571 2.219 20 0 GEADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000572363333 651887706 /nfs/dbraw/zinc/88/77/06/651887706.db2.gz VSGZQFLCTDHGKZ-LLVKDONJSA-N 1 0 397.324 2.391 20 0 GEADRO 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CO[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1ccccc1Br ZINC000655069879 651975888 /nfs/dbraw/zinc/97/58/88/651975888.db2.gz FQCOMRRPMLZJAB-CJNGLKHVSA-N 1 0 385.302 2.100 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(Cl)c(F)cc1Br ZINC000655073909 651976414 /nfs/dbraw/zinc/97/64/14/651976414.db2.gz PGGLAEDZBJZUNH-HNNXBMFYSA-N 1 0 391.668 2.428 20 0 GEADRO CCCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCC[C@@H](C)C1 ZINC000573818065 651981550 /nfs/dbraw/zinc/98/15/50/651981550.db2.gz JNCCUYWRNJDIRY-IAGOWNOFSA-N 1 0 375.579 2.065 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000573864677 651984218 /nfs/dbraw/zinc/98/42/18/651984218.db2.gz VJHZXSKSZVDTLJ-IUCAKERBSA-N 1 0 381.267 2.016 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)cc1F ZINC000573884300 651985783 /nfs/dbraw/zinc/98/57/83/651985783.db2.gz SBDFBAQSGZUQHG-UHOFOFEASA-N 1 0 388.892 2.305 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)C[C@@H](C)O ZINC000742372610 651986397 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C[NH2+]CCOCCNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000625880592 652374444 /nfs/dbraw/zinc/37/44/44/652374444.db2.gz FKLTWNJFUACSII-UHFFFAOYSA-N 1 0 396.289 2.051 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)C[NH2+]1 ZINC000625884440 652374801 /nfs/dbraw/zinc/37/48/01/652374801.db2.gz SQHAAKHVRIVFLE-JQWIXIFHSA-N 1 0 379.262 2.292 20 0 GEADRO CC1(C)CN(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000580304712 652375165 /nfs/dbraw/zinc/37/51/65/652375165.db2.gz UQBFNFHEYYNJOU-AWEZNQCLSA-N 1 0 377.312 2.434 20 0 GEADRO Cn1c(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)nnc1C1CCC1 ZINC000580323838 652376232 /nfs/dbraw/zinc/37/62/32/652376232.db2.gz LRPJICQUOWLBEF-QGZVFWFLSA-N 1 0 392.301 2.335 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000580356044 652377725 /nfs/dbraw/zinc/37/77/25/652377725.db2.gz AMVNQNAQMOGUQD-CQSZACIVSA-N 1 0 386.323 2.452 20 0 GEADRO CSC1(CNC(=O)CSc2ccc3c(c2)OCCO3)CC[NH+](C)CC1 ZINC000580383919 652378407 /nfs/dbraw/zinc/37/84/07/652378407.db2.gz 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Cc1nn(C)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1C(F)F ZINC000660180844 652393141 /nfs/dbraw/zinc/39/31/41/652393141.db2.gz XDWVTOMVZMHPLX-ZDUSSCGKSA-N 1 0 376.473 2.066 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000660184898 652393853 /nfs/dbraw/zinc/39/38/53/652393853.db2.gz OWJTXCIBHSTPQY-LBPRGKRZSA-N 1 0 395.294 2.215 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)Nc4ccc(Br)cc43)[C@@H]2C1 ZINC000580872651 652394426 /nfs/dbraw/zinc/39/44/26/652394426.db2.gz XZEGNBLYHOMFIS-DIOULYMOSA-N 1 0 392.297 2.428 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1Br ZINC000660188700 652394436 /nfs/dbraw/zinc/39/44/36/652394436.db2.gz VDPMTAMQLODCJK-ZDUSSCGKSA-N 1 0 377.304 2.076 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000660188411 652394532 /nfs/dbraw/zinc/39/45/32/652394532.db2.gz PEHNTXSDGGWBLV-ZDUSSCGKSA-N 1 0 391.331 2.385 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000752863421 652394808 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CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626829863 652404179 /nfs/dbraw/zinc/40/41/79/652404179.db2.gz KNEICIZLSNHRGI-UHFFFAOYSA-N 1 0 380.645 2.296 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000626831147 652404579 /nfs/dbraw/zinc/40/45/79/652404579.db2.gz YGQUCQDIYSDCFX-CYBMUJFWSA-N 1 0 392.297 2.038 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626832523 652404812 /nfs/dbraw/zinc/40/48/12/652404812.db2.gz WNBGJLGHEIBQTL-JTQLQIEISA-N 1 0 380.645 2.280 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1F ZINC000626850293 652405802 /nfs/dbraw/zinc/40/58/02/652405802.db2.gz CDRXXRKJFOCFRS-LBPRGKRZSA-N 1 0 384.249 2.236 20 0 GEADRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000626856294 652406422 /nfs/dbraw/zinc/40/64/22/652406422.db2.gz ZINSKSWKXAQQHM-UHFFFAOYSA-N 1 0 382.180 2.214 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000626860903 652406771 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384.293 2.436 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000754459393 652436799 /nfs/dbraw/zinc/43/67/99/652436799.db2.gz UPQNTXUGYHBOQK-GFCCVEGCSA-N 1 0 384.322 2.158 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]21 ZINC000627648562 652437324 /nfs/dbraw/zinc/43/73/24/652437324.db2.gz OHPKGCXELOVQFL-ZSHCYNCHSA-N 1 0 375.270 2.267 20 0 GEADRO COC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000754516117 652437844 /nfs/dbraw/zinc/43/78/44/652437844.db2.gz JETBWZHPCFDGMX-CQSZACIVSA-N 1 0 390.299 2.154 20 0 GEADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661716376 652438247 /nfs/dbraw/zinc/43/82/47/652438247.db2.gz QHQXTSJXYSDLSF-ITDIGPHOSA-N 1 0 376.678 2.299 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1CN(C)[C@H]1CC[NH2+]C1 ZINC000582181341 652439047 /nfs/dbraw/zinc/43/90/47/652439047.db2.gz RWOHGMWXQIDGPG-AWEZNQCLSA-N 1 0 385.302 2.493 20 0 GEADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)cn1 ZINC000661783180 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20 0 GEADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662161445 652449963 /nfs/dbraw/zinc/44/99/63/652449963.db2.gz UPZNLCITDFPIEJ-HOTGVXAUSA-N 1 0 389.323 2.264 20 0 GEADRO [NH3+]C[C@H]1c2ccccc2CCN1CC(=O)Nc1ccc(Br)cn1 ZINC000582488838 652452276 /nfs/dbraw/zinc/45/22/76/652452276.db2.gz SYUNAKFECMFBRF-HNNXBMFYSA-N 1 0 375.270 2.341 20 0 GEADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000582492074 652452704 /nfs/dbraw/zinc/45/27/04/652452704.db2.gz QDOQNQFYDNUAHS-UHFFFAOYSA-N 1 0 390.228 2.253 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)s2)cs1 ZINC000582500154 652453142 /nfs/dbraw/zinc/45/31/42/652453142.db2.gz DKTZYTJRTWJXTD-UHFFFAOYSA-N 1 0 380.539 2.206 20 0 GEADRO CN(C)Cc1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1Br ZINC000582545127 652454649 /nfs/dbraw/zinc/45/46/49/652454649.db2.gz OJHSNZHFVHTNIB-AGUYFDCRSA-N 1 0 394.313 2.264 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000582594260 652456323 /nfs/dbraw/zinc/45/63/23/652456323.db2.gz GBTIVERLWDECIF-DZGCQCFKSA-N 1 0 392.297 2.087 20 0 GEADRO CN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@H](C[NH3+])C(F)(F)F ZINC000662332886 652456379 /nfs/dbraw/zinc/45/63/79/652456379.db2.gz YSJLNYPFDJVZJO-SNVBAGLBSA-N 1 0 377.367 2.251 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H](N)c2ccccc2Br)C[C@@H](C)O1 ZINC000662368022 652457562 /nfs/dbraw/zinc/45/75/62/652457562.db2.gz KANGEWMRGFLGMS-IOASZLSFSA-N 1 0 384.318 2.064 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)N(CCO)Cc1cc(Br)cs1 ZINC000582656031 652457818 /nfs/dbraw/zinc/45/78/18/652457818.db2.gz JEFFRZDUJKNJRW-UHFFFAOYSA-N 1 0 376.320 2.014 20 0 GEADRO CC(C)[NH2+]CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000662392297 652458747 /nfs/dbraw/zinc/45/87/47/652458747.db2.gz HZJYNKZDLJYTLP-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000662391903 652458752 /nfs/dbraw/zinc/45/87/52/652458752.db2.gz LLFODKSEEXFFSK-MAZHCROVSA-N 1 0 382.302 2.380 20 0 GEADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000662390129 652458765 /nfs/dbraw/zinc/45/87/65/652458765.db2.gz JALSSKORBWYBFS-UHFFFAOYSA-N 1 0 384.318 2.018 20 0 GEADRO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000582693342 652459270 /nfs/dbraw/zinc/45/92/70/652459270.db2.gz WPERJXSKSINRTJ-GOSISDBHSA-N 1 0 392.297 2.046 20 0 GEADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000662411649 652459786 /nfs/dbraw/zinc/45/97/86/652459786.db2.gz FMBTVGRTVWRWJN-UHFFFAOYSA-N 1 0 393.285 2.081 20 0 GEADRO O=C(NCCc1cc(Br)ccc1F)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662414482 652459844 /nfs/dbraw/zinc/45/98/44/652459844.db2.gz SJCUCBAOZZCHOE-LLVKDONJSA-N 1 0 381.249 2.361 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CCO1 ZINC000662431256 652460465 /nfs/dbraw/zinc/46/04/65/652460465.db2.gz IQLMVYXZJBMSSK-BLLLJJGKSA-N 1 0 382.302 2.238 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CCO1 ZINC000662432373 652460477 /nfs/dbraw/zinc/46/04/77/652460477.db2.gz QGKCMQDQBZFAGV-MEBBXXQBSA-N 1 0 380.242 2.292 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582725661 652460898 /nfs/dbraw/zinc/46/08/98/652460898.db2.gz UVCSWIBRZFONNL-VHSXEESVSA-N 1 0 379.707 2.333 20 0 GEADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1cnnn1C1CC[NH2+]CC1 ZINC000662441842 652461372 /nfs/dbraw/zinc/46/13/72/652461372.db2.gz NUFKATKFCOLCGS-OAHLLOKOSA-N 1 0 390.285 2.382 20 0 GEADRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000662455465 652461667 /nfs/dbraw/zinc/46/16/67/652461667.db2.gz LTUZQTXOYSZWFE-NSHDSACASA-N 1 0 375.782 2.406 20 0 GEADRO C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000662482055 652463760 /nfs/dbraw/zinc/46/37/60/652463760.db2.gz RRMHEQJRCSYANH-NWDGAFQWSA-N 1 0 393.285 2.446 20 0 GEADRO O=C(NCc1cc(Br)cs1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662501984 652464896 /nfs/dbraw/zinc/46/48/96/652464896.db2.gz QHWWRXDUCGAXBY-LLVKDONJSA-N 1 0 384.303 2.347 20 0 GEADRO O=C(NCCNc1cccc(Br)c1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662514316 652465366 /nfs/dbraw/zinc/46/53/66/652465366.db2.gz MCGMWJWEZUXSDM-LLVKDONJSA-N 1 0 378.274 2.091 20 0 GEADRO COCC[NH2+]C1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000582908917 652466802 /nfs/dbraw/zinc/46/68/02/652466802.db2.gz BWBLBQQEHSUMFT-CYBMUJFWSA-N 1 0 384.318 2.477 20 0 GEADRO N[C@@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1Br ZINC000662583504 652468828 /nfs/dbraw/zinc/46/88/28/652468828.db2.gz VAJOMFJWFCIYPZ-UWWPHRKUSA-N 1 0 396.329 2.194 20 0 GEADRO CCO[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000662581785 652468859 /nfs/dbraw/zinc/46/88/59/652468859.db2.gz JKAVWKQOVKVMRF-IUODEOHRSA-N 1 0 385.302 2.429 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000628739124 652469543 /nfs/dbraw/zinc/46/95/43/652469543.db2.gz KKBZOVQSASJFAO-ZDUSSCGKSA-N 1 0 382.302 2.027 20 0 GEADRO [NH3+]C1(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CCCC1 ZINC000662651951 652470024 /nfs/dbraw/zinc/47/00/24/652470024.db2.gz IHQCIXKCXKJEJC-GFCCVEGCSA-N 1 0 380.286 2.190 20 0 GEADRO CC(C)(C)N1C[C@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1=O ZINC000662707650 652471259 /nfs/dbraw/zinc/47/12/59/652471259.db2.gz GKVJOONAMQRWFR-SGTLLEGYSA-N 1 0 396.329 2.386 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662733266 652471920 /nfs/dbraw/zinc/47/19/20/652471920.db2.gz RYSOIWWORQITMJ-HZPDHXFCSA-N 1 0 396.329 2.145 20 0 GEADRO CN[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000662748350 652472897 /nfs/dbraw/zinc/47/28/97/652472897.db2.gz QNXZRZJTBPSTCD-QGZVFWFLSA-N 1 0 387.355 2.396 20 0 GEADRO CC(C)Oc1cc(Br)ccc1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753195 652473148 /nfs/dbraw/zinc/47/31/48/652473148.db2.gz WTVCRMOQAQLSPI-UHFFFAOYSA-N 1 0 395.257 2.121 20 0 GEADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753802 652473166 /nfs/dbraw/zinc/47/31/66/652473166.db2.gz WUIKSDJOXIHJGL-LBPRGKRZSA-N 1 0 393.285 2.289 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCCOc2ccc(Cl)cc2Cl)n1 ZINC000662752715 652473270 /nfs/dbraw/zinc/47/32/70/652473270.db2.gz JVEKPTQFXFVLJQ-UHFFFAOYSA-N 1 0 385.251 2.423 20 0 GEADRO C[N@H+](CCCn1ccnc1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000755754374 652475697 /nfs/dbraw/zinc/47/56/97/652475697.db2.gz WXOHBNWFPHUVTP-UHFFFAOYSA-N 1 0 376.258 2.335 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000662858805 652476237 /nfs/dbraw/zinc/47/62/37/652476237.db2.gz KNIRPKPXMGLOLP-JTQLQIEISA-N 1 0 383.695 2.111 20 0 GEADRO Cc1c(C[NH3+])c(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)nn1C ZINC000662840433 652476276 /nfs/dbraw/zinc/47/62/76/652476276.db2.gz APPDOTUVVMYJRG-QMMMGPOBSA-N 1 0 384.267 2.251 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968860 652476706 /nfs/dbraw/zinc/47/67/06/652476706.db2.gz UDBIBZIIDIZGGT-CQSZACIVSA-N 1 0 386.279 2.251 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC[C@H]1F ZINC000662926739 652479008 /nfs/dbraw/zinc/47/90/08/652479008.db2.gz VZHVXPOTDHQNEA-HUUCEWRRSA-N 1 0 388.270 2.382 20 0 GEADRO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000662968777 652479720 /nfs/dbraw/zinc/47/97/20/652479720.db2.gz HYSJWJNNSPRJEU-IUODEOHRSA-N 1 0 382.291 2.089 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000662986352 652480570 /nfs/dbraw/zinc/48/05/70/652480570.db2.gz LTFPWOVQANLINJ-CJNGLKHVSA-N 1 0 396.329 2.036 20 0 GEADRO CCOC(=O)C[C@@H](C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000583317595 652480919 /nfs/dbraw/zinc/48/09/19/652480919.db2.gz PWCVCAMIRUHYGA-GFCCVEGCSA-N 1 0 392.315 2.402 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000756025621 652485353 /nfs/dbraw/zinc/48/53/53/652485353.db2.gz MTARMQMPQGKMFM-UHFFFAOYSA-N 1 0 385.848 2.116 20 0 GEADRO O=C1C[C@H]([N@@H+]2CC[C@@H]3COC[C@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000663220584 652485797 /nfs/dbraw/zinc/48/57/97/652485797.db2.gz ITUMJJCYIDSZTK-JMSVASOKSA-N 1 0 379.254 2.049 20 0 GEADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000756080891 652486905 /nfs/dbraw/zinc/48/69/05/652486905.db2.gz PAVRWZWKEJDQHP-OAHLLOKOSA-N 1 0 379.302 2.493 20 0 GEADRO O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000583551648 652489387 /nfs/dbraw/zinc/48/93/87/652489387.db2.gz USTKUGJYVUBETG-LBPRGKRZSA-N 1 0 383.539 2.207 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000583564462 652489968 /nfs/dbraw/zinc/48/99/68/652489968.db2.gz RSRJJWONNNZVHU-NXEZZACHSA-N 1 0 379.258 2.178 20 0 GEADRO O=S1(=O)CCCC[C@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000583626747 652492080 /nfs/dbraw/zinc/49/20/80/652492080.db2.gz ICVXXOZQWLVVHB-RYUDHWBXSA-N 1 0 382.309 2.290 20 0 GEADRO CC[C@H](C[NH2+]C[C@@H](O)CN1CCOCC1)Cc1cccc(Br)c1 ZINC000583626588 652492135 /nfs/dbraw/zinc/49/21/35/652492135.db2.gz XPPFXLDBOXMEQJ-MAUKXSAKSA-N 1 0 385.346 2.301 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000663309741 652493071 /nfs/dbraw/zinc/49/30/71/652493071.db2.gz CXWASWWIOMBJCZ-VIFPVBQESA-N 1 0 397.163 2.237 20 0 GEADRO Cc1cccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1Br ZINC000663309974 652493086 /nfs/dbraw/zinc/49/30/86/652493086.db2.gz FIRUOWUUVAAFPK-VIFPVBQESA-N 1 0 375.210 2.268 20 0 GEADRO NC(=O)CC1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)CCCCC1 ZINC000663310464 652493105 /nfs/dbraw/zinc/49/31/05/652493105.db2.gz YOBWVQLANVBVBM-HNNXBMFYSA-N 1 0 382.302 2.391 20 0 GEADRO [NH3+]C[C@H]1CN(CCCS(=O)(=O)c2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629562939 652493501 /nfs/dbraw/zinc/49/35/01/652493501.db2.gz OPJUSOBVJLTBQS-SWLSCSKDSA-N 1 0 382.423 2.449 20 0 GEADRO Cc1cc(C(C)(C)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)ccc1Br ZINC000583698437 652494842 /nfs/dbraw/zinc/49/48/42/652494842.db2.gz AHUHDGQCGKUEPT-OAHLLOKOSA-N 1 0 382.346 2.397 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000663363115 652495265 /nfs/dbraw/zinc/49/52/65/652495265.db2.gz HMFRVTAYJJUECR-NSHDSACASA-N 1 0 382.309 2.290 20 0 GEADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000629821736 652495556 /nfs/dbraw/zinc/49/55/56/652495556.db2.gz KHMXLKWSAADHEB-GXTWGEPZSA-N 1 0 396.329 2.349 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000663364655 652495575 /nfs/dbraw/zinc/49/55/75/652495575.db2.gz TTWXAOQLMUSQBC-GFCCVEGCSA-N 1 0 382.309 2.290 20 0 GEADRO CCCN1CC[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000663365722 652495588 /nfs/dbraw/zinc/49/55/88/652495588.db2.gz RKLPKLKACHZEEY-GJZGRUSLSA-N 1 0 375.282 2.402 20 0 GEADRO Brc1ccc(-c2nnc(CN[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)[nH]2)cc1 ZINC000583865856 652500387 /nfs/dbraw/zinc/50/03/87/652500387.db2.gz JUBJASJBBGFOFZ-GOEBONIOSA-N 1 0 392.301 2.091 20 0 GEADRO C[C@]1(C(=O)NCCOc2ccc(I)cc2)CCC[NH2+]C1 ZINC000583872738 652500766 /nfs/dbraw/zinc/50/07/66/652500766.db2.gz AMDZDGYCHHYJIW-HNNXBMFYSA-N 1 0 388.249 2.176 20 0 GEADRO O[C@@H](C[NH2+]Cc1c(Br)cncc1Br)[C@@H]1CCOC1 ZINC000583877781 652501135 /nfs/dbraw/zinc/50/11/35/652501135.db2.gz XXEXWPLMVFLVFG-PELKAZGASA-N 1 0 380.080 2.094 20 0 GEADRO CCOCCOc1ccc(Br)cc1CN1CCOC2(C[NH2+]C2)C1 ZINC000663513607 652502200 /nfs/dbraw/zinc/50/22/00/652502200.db2.gz VRLKRJOYLOTZGG-UHFFFAOYSA-N 1 0 385.302 2.039 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000756814053 652506657 /nfs/dbraw/zinc/50/66/57/652506657.db2.gz XWPQVIDAWTZWEH-UHFFFAOYSA-N 1 0 391.921 2.179 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccccc2Br)CC12CCOCC2 ZINC000584053863 652507491 /nfs/dbraw/zinc/50/74/91/652507491.db2.gz HIBGNMZVWSGJGK-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO C[C@@H]1SCCN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)[C@H]1C ZINC000584077070 652508245 /nfs/dbraw/zinc/50/82/45/652508245.db2.gz YUQBDPMVJIRTPY-HEHGZKQESA-N 1 0 383.945 2.411 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000584142282 652511050 /nfs/dbraw/zinc/51/10/50/652511050.db2.gz PODXKIOUPZOVGW-HNNXBMFYSA-N 1 0 394.317 2.230 20 0 GEADRO Cc1nc(C)c(Br)c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1 ZINC000663755427 652511105 /nfs/dbraw/zinc/51/11/05/652511105.db2.gz IUCBRTLYSJBPHV-DOMZBBRYSA-N 1 0 382.350 2.318 20 0 GEADRO CCC[C@@H]1CN(c2nnc3ccc(Br)cn32)CC[N@@H+]1CCOC ZINC000663759378 652511427 /nfs/dbraw/zinc/51/14/27/652511427.db2.gz RLEBJYSYJXDORW-CQSZACIVSA-N 1 0 382.306 2.429 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000584160772 652511617 /nfs/dbraw/zinc/51/16/17/652511617.db2.gz STPBJBKHROILGK-HOSYDEDBSA-N 1 0 384.249 2.031 20 0 GEADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000584177458 652512091 /nfs/dbraw/zinc/51/20/91/652512091.db2.gz YKMOSJZAXOJWNE-RNCFNFMXSA-N 1 0 377.279 2.199 20 0 GEADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000584177459 652512204 /nfs/dbraw/zinc/51/22/04/652512204.db2.gz YKMOSJZAXOJWNE-TVQRCGJNSA-N 1 0 377.279 2.199 20 0 GEADRO O=C(NCc1ccccc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663857189 652513299 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397.317 2.391 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2cn(C)cc(Br)c2=O)CC1 ZINC000666698408 652585111 /nfs/dbraw/zinc/58/51/11/652585111.db2.gz MFDHPRRXKPRFMX-UHFFFAOYSA-N 1 0 385.306 2.486 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000666802294 652588131 /nfs/dbraw/zinc/58/81/31/652588131.db2.gz ALTYKXPJZIMSLR-GFCCVEGCSA-N 1 0 379.345 2.406 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633265992 652590441 /nfs/dbraw/zinc/59/04/41/652590441.db2.gz MCRYZPWPVDJZSE-HYVNUMGLSA-N 1 0 394.313 2.109 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)N[C@H](c2nccs2)C(F)(F)F)CCO1 ZINC000667147909 652593989 /nfs/dbraw/zinc/59/39/89/652593989.db2.gz MUQJKJJMPJTKIU-NWDGAFQWSA-N 1 0 380.436 2.499 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000633353549 652594053 /nfs/dbraw/zinc/59/40/53/652594053.db2.gz DUURBWXYYTYXSF-GFCCVEGCSA-N 1 0 384.322 2.389 20 0 GEADRO O=C(Nc1nc(CC(F)(F)F)cs1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000667159049 652594389 /nfs/dbraw/zinc/59/43/89/652594389.db2.gz ROWZHLYIBJCTIT-LBPRGKRZSA-N 1 0 378.420 2.311 20 0 GEADRO CC[C@H]1CN(CC(=O)Nc2ccc(I)cc2)CC[C@H]1[NH3+] ZINC000592485492 652597473 /nfs/dbraw/zinc/59/74/73/652597473.db2.gz BTTATHKNSLGMDQ-SMDDNHRTSA-N 1 0 387.265 2.289 20 0 GEADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000667215398 652597544 /nfs/dbraw/zinc/59/75/44/652597544.db2.gz DUKKJGMJYNGJPZ-ZDUSSCGKSA-N 1 0 395.305 2.131 20 0 GEADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCOc3ccc(Br)cc3)c21 ZINC000592512887 652598244 /nfs/dbraw/zinc/59/82/44/652598244.db2.gz RHFJISHFAGTHEF-GFCCVEGCSA-N 1 0 393.285 2.291 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000667263150 652599498 /nfs/dbraw/zinc/59/94/98/652599498.db2.gz WPTBARBMNIATDK-MRVPVSSYSA-N 1 0 392.656 2.438 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000592550090 652599554 /nfs/dbraw/zinc/59/95/54/652599554.db2.gz FNLNGQYRENHHHZ-CMPLNLGQSA-N 1 0 375.252 2.124 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000633481024 652599672 /nfs/dbraw/zinc/59/96/72/652599672.db2.gz XADZZBSHXFBAMP-CABCVRRESA-N 1 0 397.313 2.278 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000592551708 652599803 /nfs/dbraw/zinc/59/98/03/652599803.db2.gz XNTRQQNJBHPYOD-CYBMUJFWSA-N 1 0 376.400 2.161 20 0 GEADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592553350 652600319 /nfs/dbraw/zinc/60/03/19/652600319.db2.gz JSSACWIKLBVPNA-CZUORRHYSA-N 1 0 397.313 2.381 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000592557303 652600397 /nfs/dbraw/zinc/60/03/97/652600397.db2.gz YZGSMOGMDGVJPC-HZMBPMFUSA-N 1 0 375.252 2.124 20 0 GEADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCNc3cccc(Br)c3)c21 ZINC000592564047 652600825 /nfs/dbraw/zinc/60/08/25/652600825.db2.gz BVTIOHOPTHHWDS-GFCCVEGCSA-N 1 0 392.301 2.324 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667421157 652604358 /nfs/dbraw/zinc/60/43/58/652604358.db2.gz DLKYRSKMDGDADY-YUMQZZPRSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667421156 652604509 /nfs/dbraw/zinc/60/45/09/652604509.db2.gz DLKYRSKMDGDADY-SFYZADRCSA-N 1 0 392.656 2.376 20 0 GEADRO CO[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000667427573 652605126 /nfs/dbraw/zinc/60/51/26/652605126.db2.gz JTNJRMBKLZIWLC-DOTOQJQBSA-N 1 0 399.329 2.391 20 0 GEADRO COc1cc(OC)c(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000667436286 652605742 /nfs/dbraw/zinc/60/57/42/652605742.db2.gz MECPZISGDLXBOD-OTYXRUKQSA-N 1 0 388.262 2.046 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1)C1CC1 ZINC000667442120 652605965 /nfs/dbraw/zinc/60/59/65/652605965.db2.gz FJBHTIIOWUWXPT-NSHDSACASA-N 1 0 394.191 2.260 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000592878246 652606801 /nfs/dbraw/zinc/60/68/01/652606801.db2.gz CDCIRFBMUQHEQZ-GFCCVEGCSA-N 1 0 379.302 2.296 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3Cl)C[C@@H]12 ZINC000667472742 652606936 /nfs/dbraw/zinc/60/69/36/652606936.db2.gz YPHUOPRXPMLRPU-HLUHBDAQSA-N 1 0 386.677 2.237 20 0 GEADRO CC(=O)N[C@@H](C)C(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000667484091 652607866 /nfs/dbraw/zinc/60/78/66/652607866.db2.gz QBFJMIOFCOQEQY-LBPRGKRZSA-N 1 0 399.333 2.290 20 0 GEADRO O=C(Nc1cc(F)ccc1SCC(F)F)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667505824 652609284 /nfs/dbraw/zinc/60/92/84/652609284.db2.gz CLAZOPNQECMVPU-LLVKDONJSA-N 1 0 375.416 2.380 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667536680 652611162 /nfs/dbraw/zinc/61/11/62/652611162.db2.gz GIMVFFJFQCSMHE-YGRLFVJLSA-N 1 0 384.249 2.046 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667540448 652611490 /nfs/dbraw/zinc/61/14/90/652611490.db2.gz LBGJSZSIYILFDR-RNCFNFMXSA-N 1 0 386.677 2.251 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667540212 652611497 /nfs/dbraw/zinc/61/14/97/652611497.db2.gz DQYUEPFYNBYFNS-IUODEOHRSA-N 1 0 380.286 2.160 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667543429 652611788 /nfs/dbraw/zinc/61/17/88/652611788.db2.gz DGTFFTGLIXJBGB-CPCISQLKSA-N 1 0 392.656 2.294 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667542451 652611922 /nfs/dbraw/zinc/61/19/22/652611922.db2.gz VBKLALMVKVKKSY-ZANVPECISA-N 1 0 386.677 2.251 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[C@H]1[NH3+] ZINC000667544849 652612144 /nfs/dbraw/zinc/61/21/44/652612144.db2.gz HNXSTUJIYMOXDO-GZMMTYOYSA-N 1 0 390.228 2.252 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000667548471 652612503 /nfs/dbraw/zinc/61/25/03/652612503.db2.gz NUAVZYQGYCKIIM-SKDRFNHKSA-N 1 0 375.803 2.466 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C)c2F)CC[C@H]1[NH3+] ZINC000667549893 652612915 /nfs/dbraw/zinc/61/29/15/652612915.db2.gz ARCJRUYFGUOHEK-CMPLNLGQSA-N 1 0 386.265 2.421 20 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C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1ccccc1Br ZINC000668451194 652642747 /nfs/dbraw/zinc/64/27/47/652642747.db2.gz FRPJPSKZEWVVLI-CQSZACIVSA-N 1 0 396.329 2.302 20 0 GEADRO CCN(C(=O)C(=O)NCc1ccccc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000668451456 652642812 /nfs/dbraw/zinc/64/28/12/652642812.db2.gz QFHOKAHRNXXLPD-CQSZACIVSA-N 1 0 382.302 2.008 20 0 GEADRO O[C@H](C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CC1(O)CCOCC1 ZINC000634644010 652646328 /nfs/dbraw/zinc/64/63/28/652646328.db2.gz MXIDKXIEMGMNLM-UTUOFQBUSA-N 1 0 379.341 2.342 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1cc(F)ccc1I)C(F)(F)F ZINC000594450684 652652304 /nfs/dbraw/zinc/65/23/04/652652304.db2.gz PHYQNQCCBZUOOZ-MRVPVSSYSA-N 1 0 376.091 2.050 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)cc1 ZINC000634687463 652653762 /nfs/dbraw/zinc/65/37/62/652653762.db2.gz LTUSNIFXURHNLW-LLVKDONJSA-N 1 0 376.404 2.161 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1F ZINC000594452810 652653815 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GEADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000762365612 652687321 /nfs/dbraw/zinc/68/73/21/652687321.db2.gz UNVBIRJHTJNAAQ-ZLDLUXBVSA-N 1 0 381.270 2.486 20 0 GEADRO COC(=O)N1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000762350346 652687439 /nfs/dbraw/zinc/68/74/39/652687439.db2.gz XPDCQMFVHBRVFQ-OAHLLOKOSA-N 1 0 396.285 2.375 20 0 GEADRO CCOC(=O)c1nc(N[C@@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000603293322 652691921 /nfs/dbraw/zinc/69/19/21/652691921.db2.gz WHELVSPRYRXOES-LBPRGKRZSA-N 1 0 385.306 2.069 20 0 GEADRO O=C(Nc1cscc1Cl)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000635128082 652694212 /nfs/dbraw/zinc/69/42/12/652694212.db2.gz ACMQFEJJQHOBPN-HUUCEWRRSA-N 1 0 385.917 2.224 20 0 GEADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@@H]1C ZINC000594955874 652697812 /nfs/dbraw/zinc/69/78/12/652697812.db2.gz GESVNVVWDFTEAZ-MBNYWOFBSA-N 1 0 398.301 2.141 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC(C)(C)c2cccc(Br)c2)CCO1 ZINC000669444166 652700398 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[NH3+]C/C=C/CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000669534012 652705147 /nfs/dbraw/zinc/70/51/47/652705147.db2.gz ZWFVPKFZMCJHMQ-OWOJBTEDSA-N 1 0 381.318 2.228 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCCC[NH2+]3)nc12 ZINC000669559474 652705572 /nfs/dbraw/zinc/70/55/72/652705572.db2.gz AKHYKURPUYUMFN-ZDUSSCGKSA-N 1 0 380.290 2.347 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000595120909 652706340 /nfs/dbraw/zinc/70/63/40/652706340.db2.gz ORLIOFZEUMRONV-CYBMUJFWSA-N 1 0 386.901 2.388 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CSc3ccc(Br)cc32)CCO1 ZINC000669572253 652706776 /nfs/dbraw/zinc/70/67/76/652706776.db2.gz PSRIBFCAWWITSH-TVYUQYBPSA-N 1 0 386.315 2.354 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CCCO1 ZINC000669582747 652707154 /nfs/dbraw/zinc/70/71/54/652707154.db2.gz LHXGQPKGDMCUNR-CABCVRRESA-N 1 0 383.290 2.054 20 0 GEADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)NC[C@H](C)[NH3+])C1=O ZINC000669585274 652707472 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C[NH+](C)CC1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000635484857 652735888 /nfs/dbraw/zinc/73/58/88/652735888.db2.gz DWWAQXGOERBSFG-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(Cc3ccc(I)cc3)CC2)C1 ZINC000595864636 652739836 /nfs/dbraw/zinc/73/98/36/652739836.db2.gz UXBVWNHZWJUAOO-INIZCTEOSA-N 1 0 386.277 2.322 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635547901 652740369 /nfs/dbraw/zinc/74/03/69/652740369.db2.gz KOQPPXZMHRYDHN-CQSZACIVSA-N 1 0 396.329 2.256 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000763153503 652741681 /nfs/dbraw/zinc/74/16/81/652741681.db2.gz OIVUQMHZVBUCFI-BZUAXINKSA-N 1 0 379.551 2.183 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1CCC(OCCC[NH3+])CC1 ZINC000595891785 652741890 /nfs/dbraw/zinc/74/18/90/652741890.db2.gz OJGDIAFQDMALKX-INIZCTEOSA-N 1 0 385.302 2.493 20 0 GEADRO COC(=O)[C@@H](c1ccccc1Br)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000595895027 652742009 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O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000763335734 652751899 /nfs/dbraw/zinc/75/18/99/652751899.db2.gz ZUNUDGPSXJYSEI-LBPRGKRZSA-N 1 0 392.253 2.434 20 0 GEADRO NC(=O)[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(Br)c1 ZINC000763385292 652755147 /nfs/dbraw/zinc/75/51/47/652755147.db2.gz XUMLGBYSKJEBNO-CABCVRRESA-N 1 0 383.286 2.293 20 0 GEADRO NC(=O)[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(Br)c1 ZINC000763385303 652755251 /nfs/dbraw/zinc/75/52/51/652755251.db2.gz XUMLGBYSKJEBNO-HUUCEWRRSA-N 1 0 383.286 2.293 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@@]2(OC)CCOC2)ccc1S(=O)(=O)C(F)F ZINC000763570330 652761793 /nfs/dbraw/zinc/76/17/93/652761793.db2.gz DPXGIZZIQRHETN-BZNIZROVSA-N 1 0 379.425 2.148 20 0 GEADRO C[N@@H+]1CC[C@H](CC(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000635875593 652762779 /nfs/dbraw/zinc/76/27/79/652762779.db2.gz YVKJPFZTFFIZSZ-LLVKDONJSA-N 1 0 379.258 2.457 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000763611285 652764136 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Cn1c(SCC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)nnc1-c1cccs1 ZINC000636095811 652780952 /nfs/dbraw/zinc/78/09/52/652780952.db2.gz NMPIRRPMWUAUQT-BETUJISGSA-N 1 0 377.539 2.379 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000764050524 652782944 /nfs/dbraw/zinc/78/29/44/652782944.db2.gz QIJBNLCYPNFXAU-UHFFFAOYSA-N 1 0 391.896 2.073 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671182676 652784983 /nfs/dbraw/zinc/78/49/83/652784983.db2.gz GNTDMUMDRAGSDN-JKSUJKDBSA-N 1 0 394.313 2.117 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000671393714 652794366 /nfs/dbraw/zinc/79/43/66/652794366.db2.gz BQZUAQYAUZIZQP-CJNGLKHVSA-N 1 0 396.329 2.097 20 0 GEADRO NS(=O)(=O)c1cc(NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cs1 ZINC000636400232 652801724 /nfs/dbraw/zinc/80/17/24/652801724.db2.gz JXDZFRDJQXIAII-OAHLLOKOSA-N 1 0 379.507 2.214 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000636471940 652804791 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20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1cc(Br)ccc1C ZINC000672203837 652830296 /nfs/dbraw/zinc/83/02/96/652830296.db2.gz RDYOPSALRMJRSL-MRXNPFEDSA-N 1 0 396.329 2.364 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)NC[C@H]1CCCC[NH2+]1 ZINC000636989524 652833878 /nfs/dbraw/zinc/83/38/78/652833878.db2.gz XCJORIWLAZLOSS-GOEBONIOSA-N 1 0 384.318 2.041 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc4ncc(Br)cn4n3)C2)CC1 ZINC000637049561 652835315 /nfs/dbraw/zinc/83/53/15/652835315.db2.gz AUFRIJYLQJRJDJ-CYBMUJFWSA-N 1 0 392.301 2.296 20 0 GEADRO COCC[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637126028 652840744 /nfs/dbraw/zinc/84/07/44/652840744.db2.gz JOHRBTVHCPJLHD-CZUORRHYSA-N 1 0 390.311 2.437 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C ZINC000765513449 652842231 /nfs/dbraw/zinc/84/22/31/652842231.db2.gz RQOODHYNCBXWIA-KBPBESRZSA-N 1 0 384.571 2.048 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672767405 652842351 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CS[C@@H]1CN(C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000766233199 652872297 /nfs/dbraw/zinc/87/22/97/652872297.db2.gz PINBHWLUONHSMU-SDDRHHMPSA-N 1 0 381.489 2.039 20 0 GEADRO O=C(c1ccsc1C(F)(F)F)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637813395 652874375 /nfs/dbraw/zinc/87/43/75/652874375.db2.gz PSLAUIMPSMWRPV-LLVKDONJSA-N 1 0 375.416 2.051 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1 ZINC000599464755 652874331 /nfs/dbraw/zinc/87/43/31/652874331.db2.gz SASKZQUFTZNTQK-CQSZACIVSA-N 1 0 386.901 2.422 20 0 GEADRO CO[C@]1(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CCOC1 ZINC000637941231 652878140 /nfs/dbraw/zinc/87/81/40/652878140.db2.gz FBVOGJAZGDVMSV-DYVFJYSZSA-N 1 0 398.301 2.300 20 0 GEADRO CN(CCOCC[NH3+])C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000599596985 652879214 /nfs/dbraw/zinc/87/92/14/652879214.db2.gz GRPOUFAVOSKFCH-UHFFFAOYSA-N 1 0 399.179 2.008 20 0 GEADRO CCOC(=O)c1c(NC(=O)N(C)CCOCC[NH3+])sc2c1CCCS2 ZINC000599602859 652879507 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COc1cc(Br)cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000766486129 652882336 /nfs/dbraw/zinc/88/23/36/652882336.db2.gz HUBRWYUUJRCZHU-UKRRQHHQSA-N 1 0 384.274 2.442 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599669171 652882995 /nfs/dbraw/zinc/88/29/95/652882995.db2.gz BZDZDOMOHRFHOM-COPLHBTASA-N 1 0 388.249 2.321 20 0 GEADRO Cc1cc(C[NH3+])oc1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000638063553 652883088 /nfs/dbraw/zinc/88/30/88/652883088.db2.gz DFMAVNBXRXGBPD-UHFFFAOYSA-N 1 0 379.258 2.167 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)C[C@@H]1[NH+](C)C ZINC000599719536 652885158 /nfs/dbraw/zinc/88/51/58/652885158.db2.gz AFBCYWAXRBLPEA-SDDRHHMPSA-N 1 0 376.448 2.283 20 0 GEADRO [NH3+]C[C@@]1(C(=O)Nc2cnn(-c3ccccc3Br)c2)CCCOC1 ZINC000638292479 652885371 /nfs/dbraw/zinc/88/53/71/652885371.db2.gz GFHYCVHFIFPPKF-INIZCTEOSA-N 1 0 379.258 2.329 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3c(F)cncc3Br)C2)C1 ZINC000638385875 652887522 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O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638503623 652891802 /nfs/dbraw/zinc/89/18/02/652891802.db2.gz JVTNMWOWXGGSMJ-LSDHHAIUSA-N 1 0 392.297 2.203 20 0 GEADRO CCN(CC[NH3+])C(=O)NCc1ccc(I)cc1Cl ZINC000599916994 652892364 /nfs/dbraw/zinc/89/23/64/652892364.db2.gz QYOFZPYUKHRWCE-UHFFFAOYSA-N 1 0 381.645 2.435 20 0 GEADRO Cc1c(C(=O)NCC2([NH3+])CCOCC2)cnn1-c1ccc(Br)cc1 ZINC000638538477 652893391 /nfs/dbraw/zinc/89/33/91/652893391.db2.gz QGOMVNBOKHAFLJ-UHFFFAOYSA-N 1 0 393.285 2.181 20 0 GEADRO [NH3+]C1(CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)CCOCC1 ZINC000638538619 652893441 /nfs/dbraw/zinc/89/34/41/652893441.db2.gz SWBCABDEVBYVCH-UHFFFAOYSA-N 1 0 379.258 2.077 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)CCCNC(=O)c2ccsc2)CC[C@H]1C(F)(F)F ZINC000638548556 652893922 /nfs/dbraw/zinc/89/39/22/652893922.db2.gz ISXUTKRXIVJTCI-QWHCGFSZSA-N 1 0 377.432 2.244 20 0 GEADRO Cc1cc(NC(=O)CCn2cc(Br)cn2)n(C2CC[NH+](C)CC2)n1 ZINC000674312030 652893960 /nfs/dbraw/zinc/89/39/60/652893960.db2.gz 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CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000639044556 652917631 /nfs/dbraw/zinc/91/76/31/652917631.db2.gz BLFKUZMVWRKQFY-UHFFFAOYSA-N 1 0 376.906 2.206 20 0 GEADRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000639124390 652920966 /nfs/dbraw/zinc/92/09/66/652920966.db2.gz JZKUYBZFCZTRQO-HNNXBMFYSA-N 1 0 391.331 2.488 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(Cl)cc1O ZINC000639161773 652924280 /nfs/dbraw/zinc/92/42/80/652924280.db2.gz MRHSDZBWCKFZLS-BXUZGUMPSA-N 1 0 376.906 2.252 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(F)c(F)c1 ZINC000639171144 652924870 /nfs/dbraw/zinc/92/48/70/652924870.db2.gz RTKGQVLQFYKIKP-UHFFFAOYSA-N 1 0 389.493 2.238 20 0 GEADRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)o1 ZINC000639169045 652924956 /nfs/dbraw/zinc/92/49/56/652924956.db2.gz AKPKSDXWZNBUTP-UHFFFAOYSA-N 1 0 385.917 2.453 20 0 GEADRO CC(C)CN(CC[NH+](C)C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639167881 652925041 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COCC(C)(C)[NH+]1CCN(Cc2cnn3cc(Br)cnc23)CC1 ZINC000639277335 652929810 /nfs/dbraw/zinc/92/98/10/652929810.db2.gz LTRXTJFEGQDCNH-UHFFFAOYSA-N 1 0 382.306 2.034 20 0 GEADRO COc1cc(C[C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)ccn1 ZINC000639304829 652930920 /nfs/dbraw/zinc/93/09/20/652930920.db2.gz COMFUCJNFWYSAV-GFCCVEGCSA-N 1 0 393.285 2.198 20 0 GEADRO CC[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCCOC1 ZINC000639292865 652931175 /nfs/dbraw/zinc/93/11/75/652931175.db2.gz ACWSBOWNXZUXBT-LBPRGKRZSA-N 1 0 377.304 2.097 20 0 GEADRO CO[C@@](C)(C[NH2+]Cc1ccc(S(N)(=O)=O)s1)COCc1ccccc1 ZINC000639308353 652931657 /nfs/dbraw/zinc/93/16/57/652931657.db2.gz NEPSWLZYYFSSQH-KRWDZBQOSA-N 1 0 384.523 2.107 20 0 GEADRO C[N@H+](CC1=CCSC1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639331958 652932481 /nfs/dbraw/zinc/93/24/81/652932481.db2.gz BYANJXVUEXMNMP-UHFFFAOYSA-N 1 0 377.329 2.202 20 0 GEADRO C[C@]12C[NH+](Cc3nc4cc(Br)ccc4o3)C[C@]1(C)C(=O)NC2=O ZINC000639365609 652934594 /nfs/dbraw/zinc/93/45/94/652934594.db2.gz 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C[NH2+][C@@H](C)c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641040469 653152326 /nfs/dbraw/zinc/15/23/26/653152326.db2.gz DNTMYSVBZAMYJP-JTQLQIEISA-N 1 0 377.246 2.343 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000641053237 653153389 /nfs/dbraw/zinc/15/33/89/653153389.db2.gz RDLIONONUIVXCD-NWDGAFQWSA-N 1 0 376.284 2.174 20 0 GEADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000806182815 653154646 /nfs/dbraw/zinc/15/46/46/653154646.db2.gz DAIREWFJGMXRGK-ORQFMDKSSA-N 1 0 384.592 2.419 20 0 GEADRO O=C1[C@H](n2cc(C3CC[NH2+]CC3)nn2)CCN1c1cccc(Br)c1 ZINC000641105699 653156851 /nfs/dbraw/zinc/15/68/51/653156851.db2.gz VMNGJIJTLBEGOD-MRXNPFEDSA-N 1 0 390.285 2.486 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000769485616 653159076 /nfs/dbraw/zinc/15/90/76/653159076.db2.gz VVQLYABBLZKYAP-AEGPPILISA-N 1 0 388.965 2.119 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2ncsc2c1 ZINC000772687649 653160341 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O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000602345083 653172880 /nfs/dbraw/zinc/17/28/80/653172880.db2.gz HNXDBPPZMJGREG-XKQJLSEDSA-N 1 0 389.323 2.264 20 0 GEADRO CC[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000772960246 653174207 /nfs/dbraw/zinc/17/42/07/653174207.db2.gz FXGMDHUAXKAWAJ-OAHLLOKOSA-N 1 0 391.331 2.152 20 0 GEADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)CCCO2 ZINC000772962178 653174799 /nfs/dbraw/zinc/17/47/99/653174799.db2.gz YQUNYJTZFMWVMU-MRXNPFEDSA-N 1 0 388.917 2.114 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)N1CCOCC1 ZINC000772961207 653174879 /nfs/dbraw/zinc/17/48/79/653174879.db2.gz NKTGYLAOYKOWTR-CQSZACIVSA-N 1 0 379.309 2.232 20 0 GEADRO C[NH+](C)CCN(C(=O)c1nccn2c(Br)cnc12)C1CCCC1 ZINC000769843139 653182128 /nfs/dbraw/zinc/18/21/28/653182128.db2.gz XWDXQSYYIDBPDV-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO C[S@@](=O)C1(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000602455415 653182505 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C[NH+](C)CCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C1CC1 ZINC000807267148 653188376 /nfs/dbraw/zinc/18/83/76/653188376.db2.gz QXCCAQBQCRVIRK-UHFFFAOYSA-N 1 0 385.917 2.046 20 0 GEADRO COC(=O)[C@]1(NC(=O)CC2(C[NH3+])CC2)CCc2cc(Br)ccc2C1 ZINC000602543412 653189714 /nfs/dbraw/zinc/18/97/14/653189714.db2.gz IHFYCEJDHOMHTO-SFHVURJKSA-N 1 0 395.297 2.095 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc(Br)cc1C ZINC000807334972 653190373 /nfs/dbraw/zinc/19/03/73/653190373.db2.gz YRGJMBYIDSJJDW-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO COC(=O)[C@]1(NC(=O)CC[C@H](C)[NH3+])CCc2cc(Br)ccc2C1 ZINC000602545893 653190310 /nfs/dbraw/zinc/19/03/10/653190310.db2.gz YMUJMEGRKGJZDI-GTNSWQLSSA-N 1 0 383.286 2.093 20 0 GEADRO [NH3+]CCCOCCNC(=O)CSCc1ccc(Br)cc1F ZINC000602555164 653190692 /nfs/dbraw/zinc/19/06/92/653190692.db2.gz DAQKGOKAUSSUCW-UHFFFAOYSA-N 1 0 379.295 2.303 20 0 GEADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000681741957 653190705 /nfs/dbraw/zinc/19/07/05/653190705.db2.gz UYTDZVMJCDAADL-VBNZEHGJSA-N 1 0 379.444 2.324 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000807357878 653191273 /nfs/dbraw/zinc/19/12/73/653191273.db2.gz KKESNLHDPPAUFW-FUNVUKJBSA-N 1 0 395.301 2.175 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000602559530 653191308 /nfs/dbraw/zinc/19/13/08/653191308.db2.gz DMLBISJCMWVDJP-ZLDLUXBVSA-N 1 0 383.286 2.434 20 0 GEADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C1([S@](C)=O)CC[NH2+]CC1)C2 ZINC000602577007 653191962 /nfs/dbraw/zinc/19/19/62/653191962.db2.gz FDOBGINJVYQAIB-QHCPKHFHSA-N 1 0 399.354 2.143 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncnc(C(F)(F)F)c1Br ZINC000641362881 653192608 /nfs/dbraw/zinc/19/26/08/653192608.db2.gz UHDUYOXNYXCPFP-SECBINFHSA-N 1 0 382.228 2.306 20 0 GEADRO COC(=O)[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000602622998 653195648 /nfs/dbraw/zinc/19/56/48/653195648.db2.gz LDHBWNGTYLWPKY-INIZCTEOSA-N 1 0 399.329 2.488 20 0 GEADRO COC(=O)c1csc(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)c1 ZINC000602651949 653198362 /nfs/dbraw/zinc/19/83/62/653198362.db2.gz ITVMEJJKIRLFHW-ZDUSSCGKSA-N 1 0 382.507 2.381 20 0 GEADRO CO[C@@H](C[NH2+]CCOc1ccc(I)cc1)[C@H]1CCOC1 ZINC000602658006 653198852 /nfs/dbraw/zinc/19/88/52/653198852.db2.gz GWWLICXLLVGCHB-WFASDCNBSA-N 1 0 391.249 2.311 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000681989958 653200998 /nfs/dbraw/zinc/20/09/98/653200998.db2.gz LDXPMPKENOQBHP-OAHLLOKOSA-N 1 0 393.285 2.233 20 0 GEADRO C[NH+](C)C1CC(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000773490046 653201573 /nfs/dbraw/zinc/20/15/73/653201573.db2.gz YPGJPOFQKFEIKJ-UHFFFAOYSA-N 1 0 387.933 2.239 20 0 GEADRO COC(=O)c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)on1 ZINC000602724087 653202904 /nfs/dbraw/zinc/20/29/04/653202904.db2.gz QEDOEZIJITZQPA-QGZVFWFLSA-N 1 0 395.253 2.233 20 0 GEADRO CCOC(=O)C(CC)(CC)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000602732659 653203282 /nfs/dbraw/zinc/20/32/82/653203282.db2.gz IWMUKTDVXUTHSB-UHFFFAOYSA-N 1 0 376.906 2.447 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000641423684 653203633 /nfs/dbraw/zinc/20/36/33/653203633.db2.gz FCIBZZLMHUQAKF-LLVKDONJSA-N 1 0 388.281 2.326 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)N2CC[N@H+](CCO)C(C)(C)C2)c(Br)c1 ZINC000682033871 653204277 /nfs/dbraw/zinc/20/42/77/653204277.db2.gz SUCDLIBIKIFLLI-CQSZACIVSA-N 1 0 398.345 2.473 20 0 GEADRO COc1ccc(CN2CC[N@H+](CCO)C(C)(C)C2)c(Br)c1OC ZINC000682037364 653205093 /nfs/dbraw/zinc/20/50/93/653205093.db2.gz DRHHIZOBZIQCKI-UHFFFAOYSA-N 1 0 387.318 2.355 20 0 GEADRO Cn1cc(I)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC000602765192 653205189 /nfs/dbraw/zinc/20/51/89/653205189.db2.gz FFRYYORLTGVRCM-UHFFFAOYSA-N 1 0 390.269 2.019 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000641440302 653206110 /nfs/dbraw/zinc/20/61/10/653206110.db2.gz FOTAKBSIOPJYBQ-TZMCWYRMSA-N 1 0 389.905 2.068 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000682274788 653206905 /nfs/dbraw/zinc/20/69/05/653206905.db2.gz VTHORZLNYIUJFU-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)CCCC[NH+](C)C)c1 ZINC000682281374 653207065 /nfs/dbraw/zinc/20/70/65/653207065.db2.gz BZFSDZDQLBZRFH-UHFFFAOYSA-N 1 0 386.290 2.196 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000682474803 653211153 /nfs/dbraw/zinc/21/11/53/653211153.db2.gz QEQHNXUCSJXGMQ-UHFFFAOYSA-N 1 0 398.326 2.468 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nn(C)cc1I ZINC000602873765 653211362 /nfs/dbraw/zinc/21/13/62/653211362.db2.gz KZVNSYVWOFTHKP-LLVKDONJSA-N 1 0 390.269 2.019 20 0 GEADRO COc1ccc(OCc2nc(C[NH2+]CCC3CS(=O)(=O)C3)cs2)cc1 ZINC000682474305 653211473 /nfs/dbraw/zinc/21/14/73/653211473.db2.gz BCLRUECUKUHFPI-UHFFFAOYSA-N 1 0 382.507 2.255 20 0 GEADRO O=C(OCC[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000770398505 653211660 /nfs/dbraw/zinc/21/16/60/653211660.db2.gz MVQIGMPKKDQBFC-UHFFFAOYSA-N 1 0 386.901 2.377 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c(Br)n1 ZINC000773950360 653218553 /nfs/dbraw/zinc/21/85/53/653218553.db2.gz UHFJKNCYUJXDPK-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO COc1cc(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)sn1 ZINC000641531507 653218999 /nfs/dbraw/zinc/21/89/99/653218999.db2.gz BUSRVBKUBFWNNW-UHFFFAOYSA-N 1 0 375.541 2.107 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccccc2Br)CCCOC1 ZINC000770703444 653221674 /nfs/dbraw/zinc/22/16/74/653221674.db2.gz CGVLWKQXRKNETJ-INIZCTEOSA-N 1 0 385.258 2.090 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000808191584 653221933 /nfs/dbraw/zinc/22/19/33/653221933.db2.gz OFOWRYWXLVVOME-IUODEOHRSA-N 1 0 392.297 2.495 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000774077805 653222987 /nfs/dbraw/zinc/22/29/87/653222987.db2.gz GNVCRVUIGQETLL-UONOGXRCSA-N 1 0 383.290 2.215 20 0 GEADRO CC1(C)CN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[N@@H+]1CCO ZINC000682776380 653223094 /nfs/dbraw/zinc/22/30/94/653223094.db2.gz LBRXHWALHBXRBX-MRXNPFEDSA-N 1 0 386.323 2.487 20 0 GEADRO CC(C)(CO)[NH+]1CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000682766151 653223111 /nfs/dbraw/zinc/22/31/11/653223111.db2.gz NEOZYSUZUFSTTD-MRXNPFEDSA-N 1 0 386.323 2.487 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000774076856 653223157 /nfs/dbraw/zinc/22/31/57/653223157.db2.gz LVZGYRMYJIFORX-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000770739252 653223440 /nfs/dbraw/zinc/22/34/40/653223440.db2.gz NZMDKBXIXYPCHF-KWCYVHTRSA-N 1 0 375.922 2.109 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000774090782 653223820 /nfs/dbraw/zinc/22/38/20/653223820.db2.gz JZOQZIWWHKAHAL-GFCCVEGCSA-N 1 0 385.306 2.184 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000641625794 653224937 /nfs/dbraw/zinc/22/49/37/653224937.db2.gz XJLFGMVRMXNNKK-RYUDHWBXSA-N 1 0 382.452 2.180 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000641648068 653227830 /nfs/dbraw/zinc/22/78/30/653227830.db2.gz WTXHISLSAPNYRI-UHFFFAOYSA-N 1 0 380.341 2.299 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccccc2I)C1 ZINC000808426844 653229444 /nfs/dbraw/zinc/22/94/44/653229444.db2.gz HTSFQOUTEPNRAD-LLVKDONJSA-N 1 0 379.263 2.206 20 0 GEADRO O=C(CCc1cc(Cl)cs1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641669465 653229525 /nfs/dbraw/zinc/22/95/25/653229525.db2.gz VJMVLKRFSFWELH-INIZCTEOSA-N 1 0 385.961 2.247 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000774222036 653229753 /nfs/dbraw/zinc/22/97/53/653229753.db2.gz GVYGZLGZRONUDI-RYUDHWBXSA-N 1 0 397.317 2.470 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](CO)CC(C)C ZINC000641709821 653231755 /nfs/dbraw/zinc/23/17/55/653231755.db2.gz IPUJULCFOFOMCB-IUODEOHRSA-N 1 0 387.318 2.459 20 0 GEADRO C[N@H+](CCO)Cc1cc(NCc2ccc(S(N)(=O)=O)cc2)ccc1Cl ZINC000641753093 653232876 /nfs/dbraw/zinc/23/28/76/653232876.db2.gz ZGHLQNROGGCGBF-UHFFFAOYSA-N 1 0 383.901 2.024 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000774300740 653233540 /nfs/dbraw/zinc/23/35/40/653233540.db2.gz CKTZQMZUJZXMSP-NWDGAFQWSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000774332382 653234651 /nfs/dbraw/zinc/23/46/51/653234651.db2.gz XWXRJNHUZFJQLV-CYBMUJFWSA-N 1 0 397.317 2.185 20 0 GEADRO COC(=O)C[C@@](C)([NH2+]CCC(=O)N(C)OC)c1ccc(Br)cc1 ZINC000808758759 653234848 /nfs/dbraw/zinc/23/48/48/653234848.db2.gz DVCJBFYUTUKTKQ-MRXNPFEDSA-N 1 0 387.274 2.227 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641860263 653235361 /nfs/dbraw/zinc/23/53/61/653235361.db2.gz ZZZVHSBZBMXXPJ-PYLYLYNFSA-N 1 0 381.318 2.352 20 0 GEADRO [NH3+]C/C=C\CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000641865604 653235602 /nfs/dbraw/zinc/23/56/02/653235602.db2.gz YXGZAWFACFVIFA-UPHRSURJSA-N 1 0 395.301 2.324 20 0 GEADRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000642342529 653245200 /nfs/dbraw/zinc/24/52/00/653245200.db2.gz ZQUCPWIXNWFVIH-ZDUSSCGKSA-N 1 0 375.922 2.237 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC[C@H]1[NH3+] ZINC000642408057 653246576 /nfs/dbraw/zinc/24/65/76/653246576.db2.gz NNJABNUPNFQPKM-CMPLNLGQSA-N 1 0 380.901 2.152 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000642495759 653247850 /nfs/dbraw/zinc/24/78/50/653247850.db2.gz FODFFPLJJILZIA-KCJUWKMLSA-N 1 0 396.207 2.022 20 0 GEADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000642523547 653248474 /nfs/dbraw/zinc/24/84/74/653248474.db2.gz OEMLUVXFCUVWHD-LBPRGKRZSA-N 1 0 385.917 2.235 20 0 GEADRO O=S1(=O)CC[C@@H](C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000683995148 653249519 /nfs/dbraw/zinc/24/95/19/653249519.db2.gz KBFFBUHNEJLDNR-ZDUSSCGKSA-N 1 0 388.327 2.479 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)N2CC(O)(c3cccc(Br)c3)C2)C1 ZINC000856921752 653251857 /nfs/dbraw/zinc/25/18/57/653251857.db2.gz BBBSANSJFGOUAX-OAHLLOKOSA-N 1 0 382.302 2.146 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000684099262 653257404 /nfs/dbraw/zinc/25/74/04/653257404.db2.gz RZVUZZPTNZWFGS-LLVKDONJSA-N 1 0 384.395 2.234 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000856945950 653259163 /nfs/dbraw/zinc/25/91/63/653259163.db2.gz AAPVPOUOZIKEPD-CABCVRRESA-N 1 0 377.360 2.382 20 0 GEADRO C[C@@H](CNC(=O)c1c(Br)nc2n1CCOC2)[N@@H+]1CCCC[C@H]1C ZINC000856960247 653263471 /nfs/dbraw/zinc/26/34/71/653263471.db2.gz NNPXKMZJDQPUSC-NEPJUHHUSA-N 1 0 385.306 2.169 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c(F)cc1Cl ZINC000809394479 653267934 /nfs/dbraw/zinc/26/79/34/653267934.db2.gz NHWUUZPZSXLXQX-SNVBAGLBSA-N 1 0 380.869 2.274 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCSCCC(F)(F)F)c1 ZINC000874147715 653270780 /nfs/dbraw/zinc/27/07/80/653270780.db2.gz ZDMVZGLCBCEDAZ-UHFFFAOYSA-N 1 0 377.432 2.489 20 0 GEADRO O=C(NCCSC(F)(F)F)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000774954372 653274531 /nfs/dbraw/zinc/27/45/31/653274531.db2.gz IQOCXSWZUHQKDD-LLVKDONJSA-N 1 0 395.472 2.370 20 0 GEADRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cn1 ZINC000684551736 653275813 /nfs/dbraw/zinc/27/58/13/653275813.db2.gz BTNYAWQPNIINGA-CJNGLKHVSA-N 1 0 383.334 2.437 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857027786 653277456 /nfs/dbraw/zinc/27/74/56/653277456.db2.gz ZDMTVVDBTNPHDO-FRRDWIJNSA-N 1 0 399.333 2.272 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)c(Br)c1 ZINC000684580454 653278782 /nfs/dbraw/zinc/27/87/82/653278782.db2.gz UHLHLTXTXCAUFT-UHFFFAOYSA-N 1 0 379.320 2.420 20 0 GEADRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000774989205 653278941 /nfs/dbraw/zinc/27/89/41/653278941.db2.gz KVGYMTVBLDHQAV-GOSISDBHSA-N 1 0 382.346 2.254 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000684662581 653286740 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CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000775169683 653298749 /nfs/dbraw/zinc/29/87/49/653298749.db2.gz IGSWDGLDODJYJU-LSDHHAIUSA-N 1 0 390.355 2.267 20 0 GEADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)c1 ZINC000775171137 653299828 /nfs/dbraw/zinc/29/98/28/653299828.db2.gz WSIRZDHQUWRIAY-OAHLLOKOSA-N 1 0 386.323 2.195 20 0 GEADRO CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000775185047 653301878 /nfs/dbraw/zinc/30/18/78/653301878.db2.gz SRUPWAYHOBTAKD-MOKVOYLWSA-N 1 0 376.328 2.019 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000685515929 653304180 /nfs/dbraw/zinc/30/41/80/653304180.db2.gz QOADEVIZJKRFTF-CHWSQXEVSA-N 1 0 375.560 2.344 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000685610592 653308830 /nfs/dbraw/zinc/30/88/30/653308830.db2.gz CIFLBNUAPFOGBN-CHWSQXEVSA-N 1 0 375.560 2.344 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccc(SC)s2)c1 ZINC000685615274 653309482 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GEADRO CC1(C)CC[C@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)[NH2+]C1 ZINC000877155257 653468842 /nfs/dbraw/zinc/46/88/42/653468842.db2.gz RXKSSEGVVDNSKJ-SNVBAGLBSA-N 1 0 396.285 2.288 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000877174809 653470468 /nfs/dbraw/zinc/47/04/68/653470468.db2.gz WMOWCBPGQTYANB-OCCSQVGLSA-N 1 0 385.917 2.076 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000877183957 653470816 /nfs/dbraw/zinc/47/08/16/653470816.db2.gz IFELBWJVCMKNEF-DGNOSDGRSA-N 1 0 380.286 2.404 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1I ZINC000877181633 653470903 /nfs/dbraw/zinc/47/09/03/653470903.db2.gz ONQAQDVLMULALS-XYPYZODXSA-N 1 0 390.269 2.316 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)c1cccn2c(I)cnc12 ZINC000877187797 653471220 /nfs/dbraw/zinc/47/12/20/653471220.db2.gz HOFDZPNCCMTOOJ-UHFFFAOYSA-N 1 0 396.232 2.035 20 0 GEADRO COC[C@]1(C(=O)Nc2ccc(Br)c(OC(C)C)c2)C[NH2+]CCO1 ZINC000877194107 653471801 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O=C1O[C@@H](C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)CC12CC2 ZINC000859574786 653474967 /nfs/dbraw/zinc/47/49/67/653474967.db2.gz RHJVAIRHYQMIEO-QAPCUYQASA-N 1 0 380.282 2.354 20 0 GEADRO OC[C@@]1([NH2+]C[C@H](O)c2ccccn2)CCc2cc(Br)ccc2C1 ZINC000859576199 653475627 /nfs/dbraw/zinc/47/56/27/653475627.db2.gz GESUHUADZACWSP-ZWKOTPCHSA-N 1 0 377.282 2.387 20 0 GEADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1COc2ccc(Br)cc21 ZINC000877329219 653476636 /nfs/dbraw/zinc/47/66/36/653476636.db2.gz PGNMXIZNVXNQAY-UKRRQHHQSA-N 1 0 395.297 2.200 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H]1C(F)(F)F ZINC000877365106 653479077 /nfs/dbraw/zinc/47/90/77/653479077.db2.gz OOSOSNADXFGUJD-SFYZADRCSA-N 1 0 381.196 2.259 20 0 GEADRO O=C(Nc1cccnc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000859663088 653480227 /nfs/dbraw/zinc/48/02/27/653480227.db2.gz JXYSXXHJJRIKPX-CYBMUJFWSA-N 1 0 383.290 2.467 20 0 GEADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2c(Br)nnn2C)c1 ZINC000813449433 653480486 /nfs/dbraw/zinc/48/04/86/653480486.db2.gz YYPPAWYJWQHWDT-UHFFFAOYSA-N 1 0 380.290 2.348 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877403732 653501121 /nfs/dbraw/zinc/50/11/21/653501121.db2.gz UKKSECUBHUXBHP-CQSZACIVSA-N 1 0 382.302 2.039 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877396049 653501366 /nfs/dbraw/zinc/50/13/66/653501366.db2.gz RNSQUPNTSJRMEU-ZVWUFJHRSA-N 1 0 386.315 2.030 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000877436067 653510694 /nfs/dbraw/zinc/51/06/94/653510694.db2.gz ACSSWNYQVRAYAK-UHFFFAOYSA-N 1 0 381.278 2.016 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000859714438 653514906 /nfs/dbraw/zinc/51/49/06/653514906.db2.gz JIUGDRMKEFTYDC-ZDUSSCGKSA-N 1 0 393.285 2.466 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000877482020 653527290 /nfs/dbraw/zinc/52/72/90/653527290.db2.gz ANSXPCYUODAQAL-CQSZACIVSA-N 1 0 378.897 2.353 20 0 GEADRO CS(=O)(=O)c1cc(C[NH2+]CC2CCS(=O)(=O)CC2)cc(C(F)(F)F)c1 ZINC000877507131 653568444 /nfs/dbraw/zinc/56/84/44/653568444.db2.gz LGDXAXQYSVHQJR-UHFFFAOYSA-N 1 0 399.456 2.023 20 0 GEADRO Cc1ccnc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1Br ZINC000877517082 653610273 /nfs/dbraw/zinc/61/02/73/653610273.db2.gz ISNVHNXDHADQEZ-ZBEGNZNMSA-N 1 0 381.274 2.105 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)cc1Br ZINC000877528319 653610509 /nfs/dbraw/zinc/61/05/09/653610509.db2.gz XWFVBSKIIROMCN-OAHLLOKOSA-N 1 0 399.310 2.310 20 0 GEADRO C[C@@H]1CN(C(=O)c2nc(Br)cs2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000779830685 653611894 /nfs/dbraw/zinc/61/18/94/653611894.db2.gz YUVCBSGLBSKNQL-NEPJUHHUSA-N 1 0 387.347 2.004 20 0 GEADRO C[N@@H+](Cc1cccc(S(N)(=O)=O)c1)C[C@H](O)c1ccccc1Br ZINC000877577544 653612789 /nfs/dbraw/zinc/61/27/89/653612789.db2.gz XTSSOUAGCLJVMH-INIZCTEOSA-N 1 0 399.310 2.262 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1Br ZINC000877629078 653614615 /nfs/dbraw/zinc/61/46/15/653614615.db2.gz OGAVDSCPGWJWJQ-CMPLNLGQSA-N 1 0 390.299 2.291 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1Br ZINC000877629082 653614620 /nfs/dbraw/zinc/61/46/20/653614620.db2.gz OGAVDSCPGWJWJQ-PWSUYJOCSA-N 1 0 390.299 2.291 20 0 GEADRO CO[C@@](C)(C[NH+]1CCC(n2nncc2I)CC1)C1CC1 ZINC000877630761 653614910 /nfs/dbraw/zinc/61/49/10/653614910.db2.gz LLSUMHMPVJGORH-AWEZNQCLSA-N 1 0 390.269 2.335 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cn(C(C)(C)C)nc2Br)n1 ZINC000779890007 653614865 /nfs/dbraw/zinc/61/48/65/653614865.db2.gz SNLKKPDWECALLK-UHFFFAOYSA-N 1 0 383.294 2.411 20 0 GEADRO O=S(=O)(c1cccnc1Cl)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000779936150 653617068 /nfs/dbraw/zinc/61/70/68/653617068.db2.gz LWBOCXSGZLOASY-UHFFFAOYSA-N 1 0 387.933 2.248 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764539 653618684 /nfs/dbraw/zinc/61/86/84/653618684.db2.gz HNNGYZGQNAVWRH-GASCZTMLSA-N 1 0 394.313 2.284 20 0 GEADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)n1 ZINC000860151948 653620099 /nfs/dbraw/zinc/62/00/99/653620099.db2.gz CRZMOHKHQLBMMZ-MELADBBJSA-N 1 0 386.221 2.433 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(Br)cnc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000860495815 653628673 /nfs/dbraw/zinc/62/86/73/653628673.db2.gz OYLRAJVSVVPZLF-SWLSCSKDSA-N 1 0 399.308 2.081 20 0 GEADRO C[N@H+](C[C@@H](O)c1cc(Br)no1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000878153384 653630157 /nfs/dbraw/zinc/63/01/57/653630157.db2.gz JSWSCZNDDPXPGR-WDEREUQCSA-N 1 0 390.278 2.412 20 0 GEADRO C[C@H](Sc1nc(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cs1)C(N)=O ZINC000878171329 653630558 /nfs/dbraw/zinc/63/05/58/653630558.db2.gz GVTHGVNVCCVRFD-GWCFXTLKSA-N 1 0 398.579 2.132 20 0 GEADRO C[C@H](Sc1nc(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cs1)C(N)=O ZINC000878171330 653630576 /nfs/dbraw/zinc/63/05/76/653630576.db2.gz GVTHGVNVCCVRFD-GXFFZTMASA-N 1 0 398.579 2.132 20 0 GEADRO CCOC(=O)CC(C)(C)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000838920952 653635937 /nfs/dbraw/zinc/63/59/37/653635937.db2.gz VLDUCHHEJGJKFC-UHFFFAOYSA-N 1 0 376.906 2.187 20 0 GEADRO C[C@@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000878403046 653636731 /nfs/dbraw/zinc/63/67/31/653636731.db2.gz MCVWKWXHLNBDSS-CYBMUJFWSA-N 1 0 376.544 2.312 20 0 GEADRO O=C1NC2(CO1)CC[NH+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)CC2 ZINC000878405793 653636807 /nfs/dbraw/zinc/63/68/07/653636807.db2.gz KVXIXWBIZHPIOG-ZDUSSCGKSA-N 1 0 375.252 2.308 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)c2cc(Br)no2)[C@@H](C)C1 ZINC000878448978 653637738 /nfs/dbraw/zinc/63/77/38/653637738.db2.gz XPJSCNJPNYFZIO-IHRRRGAJSA-N 1 0 390.322 2.197 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000838982121 653638622 /nfs/dbraw/zinc/63/86/22/653638622.db2.gz YLAQGHLOXAVXQI-UHFFFAOYSA-N 1 0 386.338 2.500 20 0 GEADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878522840 653640092 /nfs/dbraw/zinc/64/00/92/653640092.db2.gz UASSMNZZRRREAB-DXCKQFNASA-N 1 0 378.296 2.373 20 0 GEADRO COCCO[C@H]1C[C@H](CO)C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878522848 653640174 /nfs/dbraw/zinc/64/01/74/653640174.db2.gz UASSMNZZRRREAB-RVSPLBMKSA-N 1 0 378.296 2.373 20 0 GEADRO CCS(=O)(=O)NCCC[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839157374 653643613 /nfs/dbraw/zinc/64/36/13/653643613.db2.gz QQAYNSXVEAYDRP-KRWDZBQOSA-N 1 0 376.469 2.040 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839181010 653644086 /nfs/dbraw/zinc/64/40/86/653644086.db2.gz ZUAMFRRHXJVSTH-NSHDSACASA-N 1 0 377.436 2.451 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)CCN1 ZINC000878688292 653644353 /nfs/dbraw/zinc/64/43/53/653644353.db2.gz ZEEPSZTYRQSJGR-WMLDXEAASA-N 1 0 386.323 2.313 20 0 GEADRO Cc1ccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)nc1Cl ZINC000878690128 653644710 /nfs/dbraw/zinc/64/47/10/653644710.db2.gz MIIGQDIYBVICST-UHFFFAOYSA-N 1 0 387.864 2.341 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)NCC[N@H+](C)C2CCCC2)cs1)C(N)=O ZINC000878738928 653646229 /nfs/dbraw/zinc/64/62/29/653646229.db2.gz FNPCIRQAHHUVNM-CQSZACIVSA-N 1 0 384.571 2.032 20 0 GEADRO O=C1N[C@H]2C[N@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC[C@@H]2CO1 ZINC000878771081 653647025 /nfs/dbraw/zinc/64/70/25/653647025.db2.gz BVMVQHHBIIVROD-YVLXSGLVSA-N 1 0 375.252 2.163 20 0 GEADRO O=c1cc([C@H]2CC[N@@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)[nH]c(=O)[nH]1 ZINC000878794712 653647521 /nfs/dbraw/zinc/64/75/21/653647521.db2.gz FZBROYNVUAWPLX-IINYFYTJSA-N 1 0 398.232 2.312 20 0 GEADRO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)CC2 ZINC000815042099 653647597 /nfs/dbraw/zinc/64/75/97/653647597.db2.gz VEOJRIVXDYSCRL-LRDDRELGSA-N 1 0 383.265 2.300 20 0 GEADRO O=c1cc([C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3Br)C2)[nH]c(=O)[nH]1 ZINC000878797232 653647853 /nfs/dbraw/zinc/64/78/53/653647853.db2.gz WPPSGDFBJZFOQF-YGRLFVJLSA-N 1 0 380.242 2.173 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CSC(=S)N3CCC(C)CC3)[C@H]2C1 ZINC000839390342 653648056 /nfs/dbraw/zinc/64/80/56/653648056.db2.gz SQBHQVIJCMOFHD-JKSUJKDBSA-N 1 0 385.599 2.058 20 0 GEADRO O[C@@H](C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)CC1(O)CCCC1 ZINC000878876573 653650279 /nfs/dbraw/zinc/65/02/79/653650279.db2.gz OHMYCFILXHJMSL-CABCVRRESA-N 1 0 385.302 2.353 20 0 GEADRO O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)s1 ZINC000839471335 653650621 /nfs/dbraw/zinc/65/06/21/653650621.db2.gz LZOUPGODNHJCDH-UHFFFAOYSA-N 1 0 380.267 2.437 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839483492 653650922 /nfs/dbraw/zinc/65/09/22/653650922.db2.gz BOAVXGJYEQOMJY-NSHDSACASA-N 1 0 376.404 2.233 20 0 GEADRO C[C@H](Sc1nc(CC(=O)NCCC[NH2+]C2CCCCC2)cs1)C(N)=O ZINC000878892691 653651090 /nfs/dbraw/zinc/65/10/90/653651090.db2.gz YCIFTCPPOIBAMP-LBPRGKRZSA-N 1 0 384.571 2.080 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(SC(F)(F)F)nc1)C1CC1 ZINC000839486902 653651434 /nfs/dbraw/zinc/65/14/34/653651434.db2.gz VKRLVHGTFFTSJD-NSHDSACASA-N 1 0 376.404 2.088 20 0 GEADRO O=C1NCC2(CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)O1 ZINC000781999809 653653171 /nfs/dbraw/zinc/65/31/71/653653171.db2.gz QBERTQHDIKBGSH-GFCCVEGCSA-N 1 0 375.252 2.308 20 0 GEADRO O=C1NCC2(CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)O1 ZINC000781996505 653653226 /nfs/dbraw/zinc/65/32/26/653653226.db2.gz DQTNHYMZFYDNJH-LLVKDONJSA-N 1 0 375.252 2.308 20 0 GEADRO O=c1cc(C[NH+]2CCC3(CC2)OCCCO3)nc2ccc(Br)cn12 ZINC000815157636 653653634 /nfs/dbraw/zinc/65/36/34/653653634.db2.gz UAZMRCAFCUQJER-UHFFFAOYSA-N 1 0 394.269 2.186 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC2(CC1)OCCCO2 ZINC000815155252 653653676 /nfs/dbraw/zinc/65/36/76/653653676.db2.gz YPJSECFIDVEPPD-OAHLLOKOSA-N 1 0 386.286 2.418 20 0 GEADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000861343949 653654992 /nfs/dbraw/zinc/65/49/92/653654992.db2.gz LPEMAUPKBVGDQC-BZNIZROVSA-N 1 0 386.242 2.444 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CCC(=O)Nc2ccc(Br)cc2)CCCOC1 ZINC000839558257 653654951 /nfs/dbraw/zinc/65/49/51/653654951.db2.gz BGHYKDQVXCKFLB-KRWDZBQOSA-N 1 0 399.285 2.480 20 0 GEADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000861358287 653655642 /nfs/dbraw/zinc/65/56/42/653655642.db2.gz WLIGZBSFDARNGR-QLJPJBMISA-N 1 0 386.242 2.444 20 0 GEADRO NC(=O)[C@H](F)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000879050849 653656946 /nfs/dbraw/zinc/65/69/46/653656946.db2.gz QUAMLUINCMOGSQ-IUODEOHRSA-N 1 0 379.259 2.269 20 0 GEADRO COC(=O)[C@@H]1CC(=O)N(C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000782263618 653658110 /nfs/dbraw/zinc/65/81/10/653658110.db2.gz BDMXKXBNKCLACA-GFCCVEGCSA-N 1 0 381.270 2.397 20 0 GEADRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCC1 ZINC000839659420 653659608 /nfs/dbraw/zinc/65/96/08/653659608.db2.gz DDOYGHUZEWPZTC-NSHDSACASA-N 1 0 376.425 2.169 20 0 GEADRO O=C(Nc1cc(Cl)c(Br)cc1F)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000861507058 653660485 /nfs/dbraw/zinc/66/04/85/653660485.db2.gz JSCWLINZDQFGGV-KRTXAFLBSA-N 1 0 390.640 2.000 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000861541936 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Cc1cc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)cnc1Br ZINC000783113548 653674798 /nfs/dbraw/zinc/67/47/98/653674798.db2.gz BHUSCCAMTPNCOK-UHFFFAOYSA-N 1 0 385.306 2.463 20 0 GEADRO CS[C@H]1CCN(Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)C1 ZINC000840113282 653674979 /nfs/dbraw/zinc/67/49/79/653674979.db2.gz KYUCDVIINBVPHI-NSHDSACASA-N 1 0 397.492 2.208 20 0 GEADRO O[C@@H]1CCC[C@H]1[C@@H]1CCCCN1Cn1cc(I)cn1 ZINC000840115354 653675018 /nfs/dbraw/zinc/67/50/18/653675018.db2.gz KQLCDIULPRGUFM-MELADBBJSA-N 1 0 375.254 2.461 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000862092523 653675279 /nfs/dbraw/zinc/67/52/79/653675279.db2.gz WVWGPWWCZNVWAT-SNVBAGLBSA-N 1 0 376.404 2.234 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000862090954 653675361 /nfs/dbraw/zinc/67/53/61/653675361.db2.gz FCZUTKUBPXQWIS-CYBMUJFWSA-N 1 0 395.301 2.224 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)/C=C\c2csc(C(F)(F)F)c2)CC1=O ZINC000862121920 653676423 /nfs/dbraw/zinc/67/64/23/653676423.db2.gz QHJIGCAEIANBBR-ARJAWSKDSA-N 1 0 375.416 2.013 20 0 GEADRO Cn1nc(Br)cc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000879644742 653676843 /nfs/dbraw/zinc/67/68/43/653676843.db2.gz KKAKOFVGMKZMAJ-UHFFFAOYSA-N 1 0 396.289 2.445 20 0 GEADRO Cn1nc(Br)cc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000879645138 653676938 /nfs/dbraw/zinc/67/69/38/653676938.db2.gz PQNGYZVBDQFKQC-UHFFFAOYSA-N 1 0 393.289 2.364 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnc(Br)c(C)c2)C[C@H]1C ZINC000783328724 653677547 /nfs/dbraw/zinc/67/75/47/653677547.db2.gz CYVCFNZBPGXJCC-TZMCWYRMSA-N 1 0 397.317 2.422 20 0 GEADRO CCN(C(=O)c1cc(Br)c2ncc(C=O)n2c1)[C@@H]1CC[N@H+](C)C1 ZINC000862168310 653677738 /nfs/dbraw/zinc/67/77/38/653677738.db2.gz UDGIYCKTMCNFMN-GFCCVEGCSA-N 1 0 379.258 2.076 20 0 GEADRO Cn1nc(Cl)c(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1Cl ZINC000862172034 653678004 /nfs/dbraw/zinc/67/80/04/653678004.db2.gz VAIKXIGUNHUHCA-ZDUSSCGKSA-N 1 0 383.279 2.224 20 0 GEADRO 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Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000783931118 653687121 /nfs/dbraw/zinc/68/71/21/653687121.db2.gz CENKYWRYWZZSOO-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)c1Cl ZINC000862537515 653687884 /nfs/dbraw/zinc/68/78/84/653687884.db2.gz BZZOICLTZDSNER-BQUFFADESA-N 1 0 376.810 2.305 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc(S[C@H](CC)C(N)=O)n1 ZINC000879966219 653690179 /nfs/dbraw/zinc/69/01/79/653690179.db2.gz HLCOVMIQSRMEFE-UONOGXRCSA-N 1 0 384.571 2.032 20 0 GEADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000816682243 653690400 /nfs/dbraw/zinc/69/04/00/653690400.db2.gz SGSZBMKBOIYWCU-LLVKDONJSA-N 1 0 386.265 2.309 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(SC(F)(F)F)c1 ZINC000862648891 653691670 /nfs/dbraw/zinc/69/16/70/653691670.db2.gz KRBJFGAQTGGFSB-ZDUSSCGKSA-N 1 0 375.416 2.368 20 0 GEADRO COC(=O)C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000784346098 653692415 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C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841148164 653707937 /nfs/dbraw/zinc/70/79/37/653707937.db2.gz KTGUSJHQDJQXJD-HNNXBMFYSA-N 1 0 376.254 2.361 20 0 GEADRO O=C(Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000841156176 653708443 /nfs/dbraw/zinc/70/84/43/653708443.db2.gz GNNOVTVBIHHSHN-WDEREUQCSA-N 1 0 388.320 2.389 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000785411903 653708860 /nfs/dbraw/zinc/70/88/60/653708860.db2.gz XOMJSFRZOBXQON-AWEZNQCLSA-N 1 0 398.374 2.322 20 0 GEADRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cc(Br)nn3C)cn2)CCO1 ZINC000785417230 653708882 /nfs/dbraw/zinc/70/88/82/653708882.db2.gz AZPSITSBEMOAPO-LBPRGKRZSA-N 1 0 380.290 2.093 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc2ccccc2nc1Br ZINC000841170151 653708934 /nfs/dbraw/zinc/70/89/34/653708934.db2.gz RBQABBUCKIKSHY-NSHDSACASA-N 1 0 391.269 2.052 20 0 GEADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cc(Br)nn3C)cn2)C[C@@H](C)O1 ZINC000785418745 653709180 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O=C(NCC1C[NH2+]C1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841201779 653710416 /nfs/dbraw/zinc/71/04/16/653710416.db2.gz QHFOFTIGJRGWGZ-LLVKDONJSA-N 1 0 388.320 2.247 20 0 GEADRO Cc1c(Cl)c(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)nn1C ZINC000817407104 653710766 /nfs/dbraw/zinc/71/07/66/653710766.db2.gz CYKXWAGBRIEPRP-UHFFFAOYSA-N 1 0 388.843 2.033 20 0 GEADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000785510083 653710974 /nfs/dbraw/zinc/71/09/74/653710974.db2.gz AUPFNCUSGDKNBI-OAHLLOKOSA-N 1 0 377.286 2.463 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000841225369 653711136 /nfs/dbraw/zinc/71/11/36/653711136.db2.gz XEGDPLVKWLIHKO-VXGBXAGGSA-N 1 0 391.269 2.322 20 0 GEADRO Cc1c(Br)nccc1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000841251448 653712429 /nfs/dbraw/zinc/71/24/29/653712429.db2.gz LRVZWTVCSYMVGK-UHFFFAOYSA-N 1 0 396.333 2.490 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000841253256 653712587 /nfs/dbraw/zinc/71/25/87/653712587.db2.gz WTGPIQCFADKVAH-LBPRGKRZSA-N 1 0 383.290 2.372 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)C1CCCC1 ZINC000841269574 653712743 /nfs/dbraw/zinc/71/27/43/653712743.db2.gz URDDSKSATORARI-NSHDSACASA-N 1 0 389.681 2.070 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000841260512 653712745 /nfs/dbraw/zinc/71/27/45/653712745.db2.gz GKXODDJMQSXISL-PWSUYJOCSA-N 1 0 391.269 2.179 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000841260510 653712791 /nfs/dbraw/zinc/71/27/91/653712791.db2.gz GKXODDJMQSXISL-CMPLNLGQSA-N 1 0 391.269 2.179 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc2s1 ZINC000841262780 653712798 /nfs/dbraw/zinc/71/27/98/653712798.db2.gz ZRYYYLNCKGCBMK-JTQLQIEISA-N 1 0 392.428 2.353 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000817491332 653712795 /nfs/dbraw/zinc/71/27/95/653712795.db2.gz OHLVIGNMCFAQFB-AWEZNQCLSA-N 1 0 385.917 2.046 20 0 GEADRO CN(C(=O)c1nccn2c(Br)cnc12)C(C)(C)C[NH+]1CCCC1 ZINC000841370746 653713808 /nfs/dbraw/zinc/71/38/08/653713808.db2.gz RVYLOFUHTKNCNT-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO C[NH+]1CCC(N2C(=O)N[C@@]3(CCc4cc(Br)ccc4C3)C2=O)CC1 ZINC000863500229 653714608 /nfs/dbraw/zinc/71/46/08/653714608.db2.gz QPZOODSSAWPLRT-GOSISDBHSA-N 1 0 392.297 2.323 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576515 653714837 /nfs/dbraw/zinc/71/48/37/653714837.db2.gz SYMCIOAQIYFCDC-CQSZACIVSA-N 1 0 387.347 2.157 20 0 GEADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1)C(F)(F)F ZINC000817578915 653714869 /nfs/dbraw/zinc/71/48/69/653714869.db2.gz PZWSIRURCZOVNE-CYBMUJFWSA-N 1 0 377.432 2.233 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(Br)nc3)CC2)CC1 ZINC000817658614 653716862 /nfs/dbraw/zinc/71/68/62/653716862.db2.gz FYNCHVWENHJJGR-UHFFFAOYSA-N 1 0 395.345 2.476 20 0 GEADRO O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCn2c(Br)cnc2C1 ZINC000841433025 653717003 /nfs/dbraw/zinc/71/70/03/653717003.db2.gz YFLZGIPMUDMCBD-UHFFFAOYSA-N 1 0 389.297 2.436 20 0 GEADRO C[NH+](C)C1(CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000841453528 653717775 /nfs/dbraw/zinc/71/77/75/653717775.db2.gz PUDQMLWVTXZMKY-UHFFFAOYSA-N 1 0 378.523 2.139 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000841457919 653718044 /nfs/dbraw/zinc/71/80/44/653718044.db2.gz XBHUJKOHUDJGIL-HSMVNMDESA-N 1 0 375.296 2.330 20 0 GEADRO COc1cc(NC(=O)c2cc(Br)n(C)n2)ccc1OCC[NH+](C)C ZINC000841468054 653718343 /nfs/dbraw/zinc/71/83/43/653718343.db2.gz RFGDITMXXRRNPA-UHFFFAOYSA-N 1 0 397.273 2.384 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)NC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000817770828 653719159 /nfs/dbraw/zinc/71/91/59/653719159.db2.gz MBEIPBYPVURDNE-CQSZACIVSA-N 1 0 377.360 2.382 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000817770827 653719310 /nfs/dbraw/zinc/71/93/10/653719310.db2.gz MBEIPBYPVURDNE-AWEZNQCLSA-N 1 0 377.360 2.382 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1cccc2scnc21 ZINC000841482960 653719832 /nfs/dbraw/zinc/71/98/32/653719832.db2.gz ZUROVKVVHUXUBP-UHFFFAOYSA-N 1 0 376.507 2.444 20 0 GEADRO CN(C(=O)c1c(Br)nnn1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000863924282 653722272 /nfs/dbraw/zinc/72/22/72/653722272.db2.gz XZKJSMSEHNNEEQ-UHFFFAOYSA-N 1 0 398.227 2.066 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000863936451 653722532 /nfs/dbraw/zinc/72/25/32/653722532.db2.gz NJZSGHCKCOJIPD-ZDUSSCGKSA-N 1 0 385.917 2.124 20 0 GEADRO C[C@@H](NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000817918221 653722642 /nfs/dbraw/zinc/72/26/42/653722642.db2.gz XCKPTIQQRCSFPQ-IUODEOHRSA-N 1 0 380.432 2.479 20 0 GEADRO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ncc1F ZINC000817972104 653723015 /nfs/dbraw/zinc/72/30/15/653723015.db2.gz JRYLIGWLZMTGBE-BXKDBHETSA-N 1 0 399.230 2.470 20 0 GEADRO COc1cc([C@H](C)N[C@@H]2C[NH2+]CCC2(F)F)ccc1S(=O)(=O)C(F)F ZINC000817981380 653723251 /nfs/dbraw/zinc/72/32/51/653723251.db2.gz RTVIHNBKYKQDRU-TVQRCGJNSA-N 1 0 384.395 2.339 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000881269324 653723485 /nfs/dbraw/zinc/72/34/85/653723485.db2.gz PBZUTFGFBMTNIJ-JTQLQIEISA-N 1 0 397.273 2.243 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000818002796 653723474 /nfs/dbraw/zinc/72/34/74/653723474.db2.gz GLLWRGCDRMJNNC-HNNXBMFYSA-N 1 0 387.933 2.228 20 0 GEADRO CN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000818005520 653723725 /nfs/dbraw/zinc/72/37/25/653723725.db2.gz PQWKXEGUVLIOPG-HNNXBMFYSA-N 1 0 387.933 2.226 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000818022141 653724013 /nfs/dbraw/zinc/72/40/13/653724013.db2.gz SEKPTIMXMFPNGB-DYEKYZERSA-N 1 0 387.933 2.036 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H]1C[NH3+] ZINC000818021931 653724033 /nfs/dbraw/zinc/72/40/33/653724033.db2.gz PERUSQIBYUTROU-FRRDWIJNSA-N 1 0 387.933 2.036 20 0 GEADRO Cc1cccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Br ZINC000786747211 653727833 /nfs/dbraw/zinc/72/78/33/653727833.db2.gz ANHVUFBMPGFGCU-CABCVRRESA-N 1 0 382.302 2.420 20 0 GEADRO Cn1nc(C(F)(F)F)c(Cn2cc([C@@H]([NH3+])C3CCOCC3)nn2)c1Cl ZINC000881349032 653728045 /nfs/dbraw/zinc/72/80/45/653728045.db2.gz RSFCVZOMZWWPPY-NSHDSACASA-N 1 0 378.786 2.159 20 0 GEADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3CCN(S(=O)(=O)C(F)(F)F)CC3)C[C@H]2C1 ZINC000818332411 653730043 /nfs/dbraw/zinc/73/00/43/653730043.db2.gz MLQANLWJVQJRLH-NMWPEEMBSA-N 1 0 384.464 2.341 20 0 GEADRO C[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@@H]1C[NH3+] ZINC000818519009 653732310 /nfs/dbraw/zinc/73/23/10/653732310.db2.gz UIGFXGNLIOXUMW-IINYFYTJSA-N 1 0 389.315 2.052 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@H]1C[NH3+] ZINC000818519015 653732325 /nfs/dbraw/zinc/73/23/25/653732325.db2.gz UIGFXGNLIOXUMW-YGRLFVJLSA-N 1 0 389.315 2.052 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000818563021 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CC(C)(C)OC(=O)NCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000818982203 653739942 /nfs/dbraw/zinc/73/99/42/653739942.db2.gz HWWIMAPYCDJCEG-CYBMUJFWSA-N 1 0 389.290 2.303 20 0 GEADRO O=C(NCCc1ccc(Br)cc1F)N[C@H]1C[NH2+]CCC1(F)F ZINC000841795567 653741142 /nfs/dbraw/zinc/74/11/42/653741142.db2.gz SVYAUUZSXMAJSV-LBPRGKRZSA-N 1 0 380.208 2.427 20 0 GEADRO CC[S@](=O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000819047173 653741438 /nfs/dbraw/zinc/74/14/38/653741438.db2.gz KIAISJYBZKSWLT-GIPWTMENSA-N 1 0 384.723 2.200 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000864588224 653741637 /nfs/dbraw/zinc/74/16/37/653741637.db2.gz UNFXGKBNFQLCFP-RCCFBDPRSA-N 1 0 392.341 2.089 20 0 GEADRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000819055190 653741820 /nfs/dbraw/zinc/74/18/20/653741820.db2.gz DAZDNDKCGGWOMW-ZSEKCTLFSA-N 1 0 378.332 2.326 20 0 GEADRO CC(C)(C)[S@](=O)CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000819057515 653742008 /nfs/dbraw/zinc/74/20/08/653742008.db2.gz XJCMUVHZYZUDNY-MCMMXHMISA-N 1 0 396.322 2.465 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000864608232 653742161 /nfs/dbraw/zinc/74/21/61/653742161.db2.gz FVDHEQUXQXMGPZ-HZPDHXFCSA-N 1 0 382.302 2.227 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000841866965 653742193 /nfs/dbraw/zinc/74/21/93/653742193.db2.gz BEBBCHGVLRWSHW-HHARLNAUSA-N 1 0 385.599 2.294 20 0 GEADRO [NH3+][C@@H](c1cn(-c2ccc(I)cc2)nn1)C1CCOCC1 ZINC000864621265 653742349 /nfs/dbraw/zinc/74/23/49/653742349.db2.gz HHELSRIPDGGGPU-CQSZACIVSA-N 1 0 384.221 2.298 20 0 GEADRO O=C(Nc1cc(Cl)cc(Cl)c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000864619283 653742393 /nfs/dbraw/zinc/74/23/93/653742393.db2.gz BFYWYSUPYWBOFG-MCIONIFRSA-N 1 0 385.251 2.392 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NCCC[NH2+]C2CC2)c(Br)c1 ZINC000841918508 653742587 /nfs/dbraw/zinc/74/25/87/653742587.db2.gz LUTXBMDONXXZOZ-UHFFFAOYSA-N 1 0 384.274 2.177 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000841938934 653742770 /nfs/dbraw/zinc/74/27/70/653742770.db2.gz RGHWPGPMDYNHAT-NSHDSACASA-N 1 0 384.274 2.035 20 0 GEADRO [NH3+]CCc1ccc(CNC(=O)N[C@H](CO)c2cccc(Br)c2)cc1 ZINC000841930256 653742810 /nfs/dbraw/zinc/74/28/10/653742810.db2.gz XNTFRMWKMPAALX-QGZVFWFLSA-N 1 0 392.297 2.483 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCCC1=CC[NH2+]CC1 ZINC000841985431 653743134 /nfs/dbraw/zinc/74/31/34/653743134.db2.gz MHLKNHJVSXVPGI-MRXNPFEDSA-N 1 0 382.302 2.434 20 0 GEADRO COCC1(CNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000841990622 653743315 /nfs/dbraw/zinc/74/33/15/653743315.db2.gz ANXXYJOSMUWGQL-CQSZACIVSA-N 1 0 390.311 2.342 20 0 GEADRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000787766883 653743705 /nfs/dbraw/zinc/74/37/05/653743705.db2.gz XFWDTBNTYRKENM-LRDDRELGSA-N 1 0 381.270 2.331 20 0 GEADRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)C2=O)n1 ZINC000819113187 653743741 /nfs/dbraw/zinc/74/37/41/653743741.db2.gz MKLXNFSRRCJNBA-CABCVRRESA-N 1 0 393.285 2.001 20 0 GEADRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccccc3Br)C2=O)n1 ZINC000819114114 653743918 /nfs/dbraw/zinc/74/39/18/653743918.db2.gz VEUCJKKGAOUJBC-LSDHHAIUSA-N 1 0 393.285 2.001 20 0 GEADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]C[C@H]2CSCCS2)CC1 ZINC000819143024 653744272 /nfs/dbraw/zinc/74/42/72/653744272.db2.gz YSUFPYXQEGKARZ-GJZGRUSLSA-N 1 0 376.588 2.433 20 0 GEADRO O=S(=O)(C1CC1)N1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819148109 653744442 /nfs/dbraw/zinc/74/44/42/653744442.db2.gz ORJXSQLWUMONML-MRXNPFEDSA-N 1 0 376.881 2.059 20 0 GEADRO CS(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000819162832 653744807 /nfs/dbraw/zinc/74/48/07/653744807.db2.gz FHPZLGWAKBKATN-UHFFFAOYSA-N 1 0 375.332 2.048 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC000881868234 653744950 /nfs/dbraw/zinc/74/49/50/653744950.db2.gz YWDODGYJHOZFLV-CYBMUJFWSA-N 1 0 380.341 2.359 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC000881868235 653745049 /nfs/dbraw/zinc/74/50/49/653745049.db2.gz YWDODGYJHOZFLV-ZDUSSCGKSA-N 1 0 380.341 2.359 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1cc(F)ccc1F)c1ccc(Cl)s1 ZINC000819186654 653745795 /nfs/dbraw/zinc/74/57/95/653745795.db2.gz ULAVRJUJOMEYBC-GFCCVEGCSA-N 1 0 396.868 2.281 20 0 GEADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000819199823 653745985 /nfs/dbraw/zinc/74/59/85/653745985.db2.gz ZGQHTGNTSYAWCN-NRSFXHEJSA-N 1 0 382.551 2.354 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)CCO2 ZINC000819208674 653746168 /nfs/dbraw/zinc/74/61/68/653746168.db2.gz CJLNIGZGGDEVKJ-MAZHCROVSA-N 1 0 394.320 2.353 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000819201229 653746231 /nfs/dbraw/zinc/74/62/31/653746231.db2.gz KMKVSURUTNUHCF-STQMWFEESA-N 1 0 383.286 2.359 20 0 GEADRO CC(=O)N[C@@H](C(=O)NCCC[N@@H+](C)C(C)C)c1cccc(Br)c1 ZINC000864859355 653747016 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O=S(=O)(NCCC[NH2+]C[C@@H](O)c1cccc(F)c1)c1ccccc1Cl ZINC000819283542 653748002 /nfs/dbraw/zinc/74/80/02/653748002.db2.gz KVWGTILXJJXYCX-MRXNPFEDSA-N 1 0 386.876 2.471 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000819289860 653748361 /nfs/dbraw/zinc/74/83/61/653748361.db2.gz QKKMQAFFFCPWKT-AEGPPILISA-N 1 0 380.432 2.046 20 0 GEADRO CCS(=O)(=O)CC[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000819290318 653748496 /nfs/dbraw/zinc/74/84/96/653748496.db2.gz YXDMXZDBYUGQSH-UHFFFAOYSA-N 1 0 387.670 2.469 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)cc1Cl ZINC000819295381 653748531 /nfs/dbraw/zinc/74/85/31/653748531.db2.gz PTIUCZLOSQSVAM-HNNXBMFYSA-N 1 0 390.839 2.220 20 0 GEADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000842211734 653748591 /nfs/dbraw/zinc/74/85/91/653748591.db2.gz GBYPNQQOUHTFPE-GHMZBOCLSA-N 1 0 391.921 2.379 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000819304101 653748615 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Cc1ccnc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1Br ZINC000865564893 653768658 /nfs/dbraw/zinc/76/86/58/653768658.db2.gz KBTOCMYWHPFJBQ-QWHCGFSZSA-N 1 0 390.347 2.350 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000842825700 653769776 /nfs/dbraw/zinc/76/97/76/653769776.db2.gz YOMKXHHZNOGJDE-UHFFFAOYSA-N 1 0 378.416 2.478 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(Cl)cc1Cl ZINC000842833698 653770077 /nfs/dbraw/zinc/77/00/77/653770077.db2.gz LZJUJPWJMYPZEN-PELKAZGASA-N 1 0 381.281 2.056 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)C2)C1 ZINC000882218520 653770221 /nfs/dbraw/zinc/77/02/21/653770221.db2.gz MVANSKNRTHAMPZ-CYBMUJFWSA-N 1 0 383.823 2.470 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)C2)C1 ZINC000882218521 653770284 /nfs/dbraw/zinc/77/02/84/653770284.db2.gz MVANSKNRTHAMPZ-ZDUSSCGKSA-N 1 0 383.823 2.470 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC([NH+](C)C)CC2)c1I ZINC000865621017 653770246 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C[C@@H]1CN(C(=O)c2cc(=O)n(C)cc2Br)CC[N@@H+](C2CCC2)C1 ZINC000820308900 653771814 /nfs/dbraw/zinc/77/18/14/653771814.db2.gz OZNLGJGWSUEKMZ-LBPRGKRZSA-N 1 0 382.302 2.094 20 0 GEADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)CC(F)F ZINC000842889804 653772155 /nfs/dbraw/zinc/77/21/55/653772155.db2.gz CHMLEBZXRILNDU-NEPJUHHUSA-N 1 0 398.497 2.354 20 0 GEADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NC[C@H]3CC3(Cl)Cl)cccc21 ZINC000789353346 653772154 /nfs/dbraw/zinc/77/21/54/653772154.db2.gz RVWIIDLTDQARRF-ZWNOBZJWSA-N 1 0 386.279 2.320 20 0 GEADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000842916056 653773478 /nfs/dbraw/zinc/77/34/78/653773478.db2.gz KUDFJDBZGARALL-CYBMUJFWSA-N 1 0 378.841 2.123 20 0 GEADRO CN(CCC[NH+]1CCCC1)c1ccc(Br)cc1S(N)(=O)=O ZINC000865752789 653774017 /nfs/dbraw/zinc/77/40/17/653774017.db2.gz CUNNIONFQWIZBQ-UHFFFAOYSA-N 1 0 376.320 2.019 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1 ZINC000865766767 653774204 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/nfs/dbraw/zinc/77/89/96/653778996.db2.gz QFFPVCJSIGTNQH-CZUORRHYSA-N 1 0 375.282 2.058 20 0 GEADRO OCCN1CCCC[C@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843093847 653779162 /nfs/dbraw/zinc/77/91/62/653779162.db2.gz OMQJCYQMQYAUKU-BBRMVZONSA-N 1 0 375.282 2.058 20 0 GEADRO C[C@@](O)(C[NH2+][C@H]1CCCN(CCCO)C1)c1ccc(Br)cc1F ZINC000843097037 653779346 /nfs/dbraw/zinc/77/93/46/653779346.db2.gz WGEFBPWLZPRHIR-WMLDXEAASA-N 1 0 389.309 2.232 20 0 GEADRO C[C@@](O)(C[NH2+][C@@H](CO)Cc1ccncc1)c1ccc(Br)cc1F ZINC000843109353 653779456 /nfs/dbraw/zinc/77/94/56/653779456.db2.gz DQBRBHWSXBWPBK-RHSMWYFYSA-N 1 0 383.261 2.384 20 0 GEADRO C[C@](O)(C[NH2+][C@H](CO)C1CCOCC1)c1ccc(Br)cc1F ZINC000843105066 653779525 /nfs/dbraw/zinc/77/95/25/653779525.db2.gz RZXXANZABGILMB-CVEARBPZSA-N 1 0 376.266 2.173 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(N)nc(Br)c2)C[C@H](C)O1 ZINC000820673659 653780053 /nfs/dbraw/zinc/78/00/53/653780053.db2.gz HVELORUJVGKEAT-TXEJJXNPSA-N 1 0 385.306 2.046 20 0 GEADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000843134862 653780197 /nfs/dbraw/zinc/78/01/97/653780197.db2.gz YHYIZZRLAGXJML-NSHDSACASA-N 1 0 384.889 2.305 20 0 GEADRO O=S1(=O)CCCN1c1ccc(-c2nc(C3CC[NH2+]CC3)no2)c(Cl)c1 ZINC000843138871 653780473 /nfs/dbraw/zinc/78/04/73/653780473.db2.gz KJQBLSLLVYKMJQ-UHFFFAOYSA-N 1 0 382.873 2.397 20 0 GEADRO Cc1c(-c2nc([C@H]([NH3+])C(C)C)no2)cc(Br)cc1S(N)(=O)=O ZINC000843152515 653780485 /nfs/dbraw/zinc/78/04/85/653780485.db2.gz JXFXPCDJEQXTDI-LLVKDONJSA-N 1 0 389.275 2.111 20 0 GEADRO COc1nc(-c2noc(C[C@H](C)C3CC[NH2+]CC3)n2)ncc1Br ZINC000843212029 653781555 /nfs/dbraw/zinc/78/15/55/653781555.db2.gz BVDNNUGNQCQZCL-VIFPVBQESA-N 1 0 382.262 2.476 20 0 GEADRO C[NH2+]CCCc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000843223307 653781746 /nfs/dbraw/zinc/78/17/46/653781746.db2.gz AGVSQEGYHOZBEG-UHFFFAOYSA-N 1 0 383.193 2.141 20 0 GEADRO [NH3+][C@H]1C[C@@H](c2nc(-c3cccn4c(I)cnc34)no2)C1 ZINC000843223370 653781752 /nfs/dbraw/zinc/78/17/52/653781752.db2.gz BNXSITPDJBJPAB-OCAPTIKFSA-N 1 0 381.177 2.194 20 0 GEADRO [NH3+][C@@H](Cc1nc(-c2cccn3c(I)cnc23)no1)C1CC1 ZINC000843224004 653781799 /nfs/dbraw/zinc/78/17/99/653781799.db2.gz IRAQBPOSIHSQDF-JTQLQIEISA-N 1 0 395.204 2.269 20 0 GEADRO O=C(NCc1noc(CC[C@@H]2CC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000843230198 653782172 /nfs/dbraw/zinc/78/21/72/653782172.db2.gz JYHKDZIVSRCGDR-LLVKDONJSA-N 1 0 379.258 2.304 20 0 GEADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843260143 653782332 /nfs/dbraw/zinc/78/23/32/653782332.db2.gz AUEBLIYYJUABNL-UHFFFAOYSA-N 1 0 388.281 2.182 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000882480246 653784183 /nfs/dbraw/zinc/78/41/83/653784183.db2.gz DOXRTFOUCUCDEM-ZDUSSCGKSA-N 1 0 387.933 2.193 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)CC[C@H]21 ZINC000882500878 653785169 /nfs/dbraw/zinc/78/51/69/653785169.db2.gz CADHWHVAUDTAKG-GXSJLCMTSA-N 1 0 383.823 2.469 20 0 GEADRO O=C(Nc1nc(Br)ccc1O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000790042723 653785577 /nfs/dbraw/zinc/78/55/77/653785577.db2.gz KODVCKZKFJRRCS-KRWDZBQOSA-N 1 0 392.253 2.125 20 0 GEADRO C[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000843392797 653785919 /nfs/dbraw/zinc/78/59/19/653785919.db2.gz MSXLEJYDRNSCOQ-VXGBXAGGSA-N 1 0 399.285 2.166 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1cc(F)c(I)c(F)c1 ZINC000843416857 653786516 /nfs/dbraw/zinc/78/65/16/653786516.db2.gz YLQCEUISZJETAD-VIFPVBQESA-N 1 0 396.175 2.277 20 0 GEADRO COC(=O)[C@@H]1CN(Cc2cc(Br)cnc2Cl)CC[N@H+](C)C1 ZINC000843413634 653786582 /nfs/dbraw/zinc/78/65/82/653786582.db2.gz OWZZLTRWKPSIPT-NSHDSACASA-N 1 0 376.682 2.034 20 0 GEADRO C[N@@H+]1CCN(c2ccc3nnc(Br)n3n2)[C@H](Cc2ccccc2)C1 ZINC000882528672 653786822 /nfs/dbraw/zinc/78/68/22/653786822.db2.gz BCFXAMBUQOMQSE-CQSZACIVSA-N 1 0 387.285 2.250 20 0 GEADRO Cc1c(C(=O)Nc2cnc(Br)cc2C)nnn1C1CC[NH2+]CC1 ZINC000843440582 653787053 /nfs/dbraw/zinc/78/70/53/653787053.db2.gz JWHOZOPXKXVTNQ-UHFFFAOYSA-N 1 0 379.262 2.229 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000843502754 653788536 /nfs/dbraw/zinc/78/85/36/653788536.db2.gz FRBIEKGTSPUXBN-OLZOCXBDSA-N 1 0 387.933 2.370 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])ccc1Cl ZINC000843507876 653788623 /nfs/dbraw/zinc/78/86/23/653788623.db2.gz NINXQPGNHYONJJ-MRXNPFEDSA-N 1 0 378.881 2.442 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000843506187 653788720 /nfs/dbraw/zinc/78/87/20/653788720.db2.gz YFZNOJCKNIANFU-RYUDHWBXSA-N 1 0 375.922 2.225 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000843513535 653789079 /nfs/dbraw/zinc/78/90/79/653789079.db2.gz HDDDYJJBMMTJEL-ZDUSSCGKSA-N 1 0 376.400 2.385 20 0 GEADRO S=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccsc1 ZINC000790320474 653789276 /nfs/dbraw/zinc/78/92/76/653789276.db2.gz JXEZXJXIUYJHOP-UHFFFAOYSA-N 1 0 376.555 2.427 20 0 GEADRO O=S(=O)(N1CCC([NH2+][C@@H]2c3ccccc3OC[C@H]2F)CC1)C(F)(F)F ZINC000866281076 653789688 /nfs/dbraw/zinc/78/96/88/653789688.db2.gz IAUQUMRDUMNYER-TZMCWYRMSA-N 1 0 382.379 2.362 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866295983 653790478 /nfs/dbraw/zinc/79/04/78/653790478.db2.gz MBDTUUJFPKMUJX-HIFRSBDPSA-N 1 0 378.416 2.312 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ncccc2Br)CCN1c1cc[nH+]cc1 ZINC000882619444 653791116 /nfs/dbraw/zinc/79/11/16/653791116.db2.gz LGBVMWGQSIZFOE-GFCCVEGCSA-N 1 0 397.298 2.139 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cncc(Br)c2)CCN1c1cc[nH+]cc1 ZINC000882621507 653791266 /nfs/dbraw/zinc/79/12/66/653791266.db2.gz UVMJPBXOXQNYDL-LBPRGKRZSA-N 1 0 397.298 2.139 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866356191 653791361 /nfs/dbraw/zinc/79/13/61/653791361.db2.gz JZRXJNAIKIGEEH-VXGBXAGGSA-N 1 0 386.905 2.403 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cnn3cccc(Br)c23)CC1 ZINC000821269412 653793442 /nfs/dbraw/zinc/79/34/42/653793442.db2.gz GLXIUGRMDKPYPO-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO O=S(=O)(N=S1(=O)CCCC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000866430887 653795134 /nfs/dbraw/zinc/79/51/34/653795134.db2.gz YUERZCNGWNOYPC-UHFFFAOYSA-N 1 0 385.555 2.269 20 0 GEADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]CCn1cnc(Br)n1)C1CC1 ZINC000821396614 653797339 /nfs/dbraw/zinc/79/73/39/653797339.db2.gz RJZZJYJNWFIDOK-HNNXBMFYSA-N 1 0 388.310 2.324 20 0 GEADRO C[N@@H+]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)CCC1(C)C ZINC000882688574 653798068 /nfs/dbraw/zinc/79/80/68/653798068.db2.gz IVBYHCRPUDDXJH-UHFFFAOYSA-N 1 0 397.239 2.489 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2csc(Br)n2)ccn1 ZINC000821420278 653798258 /nfs/dbraw/zinc/79/82/58/653798258.db2.gz YRJFQKMRASRXIF-UHFFFAOYSA-N 1 0 385.287 2.171 20 0 GEADRO C[C@@H]1CN(C(=O)c2csc(Br)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000821436330 653798745 /nfs/dbraw/zinc/79/87/45/653798745.db2.gz MEVUFPAEWUPJSZ-YPMHNXCESA-N 1 0 387.347 2.004 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@H]3CCCOc4cc(Br)ccc43)COCCN12 ZINC000866523698 653800614 /nfs/dbraw/zinc/80/06/14/653800614.db2.gz FYTFFHBHGFVXBH-WMLDXEAASA-N 1 0 397.269 2.474 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@@H]3CCCOc4ccc(Br)cc43)COCCN12 ZINC000866523933 653800661 /nfs/dbraw/zinc/80/06/61/653800661.db2.gz HGTQKHDTIGWVLS-PBHICJAKSA-N 1 0 397.269 2.474 20 0 GEADRO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccccc1I ZINC000866570323 653802616 /nfs/dbraw/zinc/80/26/16/653802616.db2.gz KQXLOAPHTJNRBI-SNVBAGLBSA-N 1 0 396.294 2.257 20 0 GEADRO [NH3+]CCCCCCNC(=O)c1cccn2c(I)cnc12 ZINC000844200015 653803227 /nfs/dbraw/zinc/80/32/27/653803227.db2.gz FHZNMSGBNRRBQG-UHFFFAOYSA-N 1 0 386.237 2.188 20 0 GEADRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000844379917 653805712 /nfs/dbraw/zinc/80/57/12/653805712.db2.gz RJGFUGMMKWXLPL-YPMHNXCESA-N 1 0 378.441 2.008 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Br)cn2ccnc12 ZINC000866607507 653805781 /nfs/dbraw/zinc/80/57/81/653805781.db2.gz CTEVEBDNHHUGSA-CQSZACIVSA-N 1 0 393.285 2.080 20 0 GEADRO Cn1ccnc1N1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000866666986 653809174 /nfs/dbraw/zinc/80/91/74/653809174.db2.gz ZHEKGEOSUUVPEZ-UHFFFAOYSA-N 1 0 385.212 2.423 20 0 GEADRO C[NH+](C)CCN1CCN(C(=S)Nc2ccc(SC(F)F)cc2)CC1=O ZINC000844570108 653809254 /nfs/dbraw/zinc/80/92/54/653809254.db2.gz STASVKFTCHUYRB-UHFFFAOYSA-N 1 0 388.509 2.404 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H]2[C@H](C(=O)OC)C2(F)F)c1 ZINC000894991205 653811296 /nfs/dbraw/zinc/81/12/96/653811296.db2.gz PYMWRGWLGBSNFH-QWHCGFSZSA-N 1 0 381.828 2.278 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccnc1Br ZINC000791368068 653811427 /nfs/dbraw/zinc/81/14/27/653811427.db2.gz WAIIGTNNYGMXFX-UHFFFAOYSA-N 1 0 391.269 2.186 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000866689890 653811979 /nfs/dbraw/zinc/81/19/79/653811979.db2.gz PVUONJPGHLAUTH-HNNXBMFYSA-N 1 0 391.331 2.104 20 0 GEADRO O=C1C=C(c2ccc(Br)cc2)CN1CN1CC[NH+](C2CC2)CC1 ZINC000844691156 653813325 /nfs/dbraw/zinc/81/33/25/653813325.db2.gz UBMBKPPLEQEQGN-UHFFFAOYSA-N 1 0 376.298 2.412 20 0 GEADRO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)ONC(=O)OC(C)(C)C ZINC000895030817 653813565 /nfs/dbraw/zinc/81/35/65/653813565.db2.gz OLDFGZBSNSPRQU-KFWWJZLASA-N 1 0 378.535 2.413 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(CN3CC(c4ccc(Br)cc4)=CC3=O)C[C@@H]21 ZINC000844708136 653815229 /nfs/dbraw/zinc/81/52/29/653815229.db2.gz IZNFROHGWSQJKR-PBHICJAKSA-N 1 0 376.298 2.268 20 0 GEADRO C[C@H]([NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000895100317 653817978 /nfs/dbraw/zinc/81/79/78/653817978.db2.gz AAPZARVJODAMJV-CORIIIEPSA-N 1 0 381.416 2.422 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000866755383 653819822 /nfs/dbraw/zinc/81/98/22/653819822.db2.gz HLRSIPAEKLJLPK-UHFFFAOYSA-N 1 0 377.304 2.101 20 0 GEADRO O=C(NC/C=C/c1ccc(Br)cc1)NCC[NH+]1CCC(O)CC1 ZINC000895140998 653820361 /nfs/dbraw/zinc/82/03/61/653820361.db2.gz SHFDIOJOCYIFCN-OWOJBTEDSA-N 1 0 382.302 2.218 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000866760404 653820915 /nfs/dbraw/zinc/82/09/15/653820915.db2.gz JSGTXKYXNNPYQV-HNNXBMFYSA-N 1 0 391.331 2.267 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000866763776 653821415 /nfs/dbraw/zinc/82/14/15/653821415.db2.gz HWGYHBOWIPONOB-NSHDSACASA-N 1 0 386.930 2.355 20 0 GEADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cc3nc(Cl)ncc3s1)CC[NH2+]CC2 ZINC000866773973 653823328 /nfs/dbraw/zinc/82/33/28/653823328.db2.gz LTQPUCFGLMANDD-SNVBAGLBSA-N 1 0 386.930 2.497 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000866775335 653823587 /nfs/dbraw/zinc/82/35/87/653823587.db2.gz ASBMCVWYQPRKBA-QWRGUYRKSA-N 1 0 377.304 2.099 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1csc(I)n1 ZINC000822432349 653827876 /nfs/dbraw/zinc/82/78/76/653827876.db2.gz BQSLAJYNRGIWJG-BDAKNGLRSA-N 1 0 377.251 2.104 20 0 GEADRO [NH3+][C@@H]1CCCCCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000866783115 653825475 /nfs/dbraw/zinc/82/54/75/653825475.db2.gz CUQLYTUBMAYPMR-SNVBAGLBSA-N 1 0 382.711 2.390 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)c1 ZINC000866785096 653825799 /nfs/dbraw/zinc/82/57/99/653825799.db2.gz PCVJRUOLGZVOEP-CYBMUJFWSA-N 1 0 387.933 2.098 20 0 GEADRO Cc1ccc(Br)c(CS(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000866788452 653826398 /nfs/dbraw/zinc/82/63/98/653826398.db2.gz UGDPHHVTOYCGNM-ZDUSSCGKSA-N 1 0 375.332 2.471 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)c(C)c1Cl ZINC000866794131 653827412 /nfs/dbraw/zinc/82/74/12/653827412.db2.gz HQRIDYVGPORORF-UHFFFAOYSA-N 1 0 378.903 2.141 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)c1 ZINC000866794369 653827425 /nfs/dbraw/zinc/82/74/25/653827425.db2.gz KBOUFAATFKKHSK-UHFFFAOYSA-N 1 0 375.288 2.102 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866794360 653827478 /nfs/dbraw/zinc/82/74/78/653827478.db2.gz JZRUZBFQFBNQBG-UHFFFAOYSA-N 1 0 388.917 2.400 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000866795423 653827663 /nfs/dbraw/zinc/82/76/63/653827663.db2.gz YDHMRDGBAZHIFS-HAQNSBGRSA-N 1 0 389.315 2.448 20 0 GEADRO OCCO[C@]1(C[NH2+]Cc2c(Br)ccc(Cl)c2F)CCOC1 ZINC000895338989 653828523 /nfs/dbraw/zinc/82/85/23/653828523.db2.gz XCPDGRDVORZSNT-AWEZNQCLSA-N 1 0 382.657 2.499 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000791917015 653829246 /nfs/dbraw/zinc/82/92/46/653829246.db2.gz PBFMQJNMYRCIQH-GFCCVEGCSA-N 1 0 380.290 2.490 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000866806489 653829871 /nfs/dbraw/zinc/82/98/71/653829871.db2.gz NAAQMSFNBLMPMC-OCAPTIKFSA-N 1 0 387.221 2.484 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000844963647 653830691 /nfs/dbraw/zinc/83/06/91/653830691.db2.gz KPDXLNVARKFOQP-CYBMUJFWSA-N 1 0 393.359 2.202 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866811312 653831088 /nfs/dbraw/zinc/83/10/88/653831088.db2.gz QVUUKJUZAOULEG-CHWSQXEVSA-N 1 0 390.933 2.420 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc(Br)cnc1Cl)C1CC[NH2+]CC1 ZINC000866813341 653831357 /nfs/dbraw/zinc/83/13/57/653831357.db2.gz UTRWNDMMEYDPSV-QMMMGPOBSA-N 1 0 382.711 2.164 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000866815613 653831641 /nfs/dbraw/zinc/83/16/41/653831641.db2.gz REUGUKHDDMTOGC-AWEZNQCLSA-N 1 0 376.320 2.230 20 0 GEADRO FC(F)CN1CCC[C@@H]1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895390697 653831859 /nfs/dbraw/zinc/83/18/59/653831859.db2.gz PNNFVDNIGQROPH-LLVKDONJSA-N 1 0 380.892 2.452 20 0 GEADRO COC[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CCCOC1 ZINC000883220650 653832433 /nfs/dbraw/zinc/83/24/33/653832433.db2.gz NGXKMUUWBNRSFS-GDBMZVCRSA-N 1 0 390.933 2.040 20 0 GEADRO COC[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)[C@H]1CCCOC1 ZINC000883205834 653832445 /nfs/dbraw/zinc/83/24/45/653832445.db2.gz DWBFTYSVNXGTKZ-DZKIICNBSA-N 1 0 388.302 2.220 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)ccc1Cl ZINC000883254063 653833038 /nfs/dbraw/zinc/83/30/38/653833038.db2.gz JIAUOHZFTJAXQP-AWEZNQCLSA-N 1 0 388.917 2.053 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)cc21 ZINC000866824311 653833362 /nfs/dbraw/zinc/83/33/62/653833362.db2.gz LSWCUVZHXKSICM-GJZGRUSLSA-N 1 0 398.326 2.456 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866826659 653833757 /nfs/dbraw/zinc/83/37/57/653833757.db2.gz AQXUOLWOANBIDE-CHWSQXEVSA-N 1 0 380.491 2.203 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(Cl)cc1Cl ZINC000866827408 653833997 /nfs/dbraw/zinc/83/39/97/653833997.db2.gz MKPIMQBVHNEUHU-QWHCGFSZSA-N 1 0 393.292 2.295 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1Br ZINC000866827547 653834003 /nfs/dbraw/zinc/83/40/03/653834003.db2.gz OSEIFPKOVGKHNL-HUUCEWRRSA-N 1 0 387.299 2.167 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000895440346 653834491 /nfs/dbraw/zinc/83/44/91/653834491.db2.gz DNEKUJWSQLQNAM-UHFFFAOYSA-N 1 0 389.315 2.464 20 0 GEADRO CN1CCO[C@H]([C@@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)c2ccc(Cl)cc2)C1 ZINC000883307087 653835198 /nfs/dbraw/zinc/83/51/98/653835198.db2.gz LURQPHWGUOLWED-BZSNNMDCSA-N 1 0 386.945 2.269 20 0 GEADRO C[C@@H](C[NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cccc(Br)c1 ZINC000883332890 653835837 /nfs/dbraw/zinc/83/58/37/653835837.db2.gz GNZLYTCMANHYMR-NSHDSACASA-N 1 0 376.258 2.084 20 0 GEADRO O=C(NCCc1sccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000883332639 653835844 /nfs/dbraw/zinc/83/58/44/653835844.db2.gz ZQCUZAYERBLOKD-VXGBXAGGSA-N 1 0 388.331 2.216 20 0 GEADRO Cn1ccn2c(C[NH2+]C3CC(c4ccc(Br)cc4)C3)nnc2c1=O ZINC000883335930 653836234 /nfs/dbraw/zinc/83/62/34/653836234.db2.gz DDJKMFZSQNBXJU-UHFFFAOYSA-N 1 0 388.269 2.226 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)Cc1cscc1Br ZINC000883347493 653836501 /nfs/dbraw/zinc/83/65/01/653836501.db2.gz SWZIJIRDIOVJKU-GFCCVEGCSA-N 1 0 389.363 2.288 20 0 GEADRO CN(CC[NH2+][C@@H]1CCCOc2c(Br)cccc21)CCOCCO ZINC000883350340 653836566 /nfs/dbraw/zinc/83/65/66/653836566.db2.gz CNKKYNUBLPXGOY-MRXNPFEDSA-N 1 0 387.318 2.193 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883361005 653837293 /nfs/dbraw/zinc/83/72/93/653837293.db2.gz QUYSCHYCKKVKMN-JQWIXIFHSA-N 1 0 375.359 2.305 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000792222868 653838223 /nfs/dbraw/zinc/83/82/23/653838223.db2.gz CNOJSMHCZPFJNM-NVXWUHKLSA-N 1 0 395.297 2.122 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000883387076 653838327 /nfs/dbraw/zinc/83/83/27/653838327.db2.gz RJYKNYWDTCMAGS-HNNXBMFYSA-N 1 0 390.285 2.348 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000866853852 653838343 /nfs/dbraw/zinc/83/83/43/653838343.db2.gz IFZMMCOTEAOMOB-LLVKDONJSA-N 1 0 386.930 2.451 20 0 GEADRO COCCn1cc(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000883386190 653838410 /nfs/dbraw/zinc/83/84/10/653838410.db2.gz BJWSKPQXWYMLND-INIZCTEOSA-N 1 0 393.285 2.335 20 0 GEADRO COC(=O)[C@@]1(C[NH2+]Cc2cc3nc(Cl)ccc3s2)C[C@@H]1S(C)(=O)=O ZINC000895510770 653838736 /nfs/dbraw/zinc/83/87/36/653838736.db2.gz SSRPNCOQDLJLLM-SWLSCSKDSA-N 1 0 388.898 2.016 20 0 GEADRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(SC(F)F)cc2)C[C@@H]1S(C)(=O)=O ZINC000895510709 653838813 /nfs/dbraw/zinc/83/88/13/653838813.db2.gz GMRIGLVHFHSPGA-SWLSCSKDSA-N 1 0 379.450 2.067 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866862412 653839956 /nfs/dbraw/zinc/83/99/56/653839956.db2.gz GYLAOVMWOXTGEF-UHFFFAOYSA-N 1 0 382.313 2.120 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000866862169 653839977 /nfs/dbraw/zinc/83/99/77/653839977.db2.gz CJMTYAULBSUICJ-FPMFFAJLSA-N 1 0 398.301 2.182 20 0 GEADRO O=C(Nc1nncs1)c1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc1 ZINC000895567470 653840945 /nfs/dbraw/zinc/84/09/45/653840945.db2.gz PZGFKMVQYNVWGJ-QWHCGFSZSA-N 1 0 376.511 2.177 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c(Cl)c1 ZINC000883469839 653840991 /nfs/dbraw/zinc/84/09/91/653840991.db2.gz CDPQLIDSAGFFDZ-UHFFFAOYSA-N 1 0 388.795 2.028 20 0 GEADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000883469361 653841021 /nfs/dbraw/zinc/84/10/21/653841021.db2.gz PACYZTFDCVTRDJ-UHFFFAOYSA-N 1 0 397.722 2.197 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895571629 653841190 /nfs/dbraw/zinc/84/11/90/653841190.db2.gz KHDUBQHGYRFBCY-ZJUUUORDSA-N 1 0 383.319 2.118 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(OC)ccc1Br ZINC000883474319 653841536 /nfs/dbraw/zinc/84/15/36/653841536.db2.gz KCBCMNGGQZZJQZ-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000883473838 653841682 /nfs/dbraw/zinc/84/16/82/653841682.db2.gz PQYGGXUTRVNOFY-LLVKDONJSA-N 1 0 375.878 2.281 20 0 GEADRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1sc(N3CCOCC3)nc1Cl)C2 ZINC000895582007 653842127 /nfs/dbraw/zinc/84/21/27/653842127.db2.gz AXUTXPVCJVRYEX-SJCJKPOMSA-N 1 0 385.917 2.408 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)C2(C[NH3+])CCCCC2)cc(F)c1F ZINC000883476550 653842125 /nfs/dbraw/zinc/84/21/25/653842125.db2.gz PFZHAIVZWVUUIG-UHFFFAOYSA-N 1 0 376.425 2.034 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2)C1 ZINC000895585702 653842157 /nfs/dbraw/zinc/84/21/57/653842157.db2.gz NKEUNXBVQLLTKX-QLFBSQMISA-N 1 0 376.316 2.428 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C1 ZINC000866891718 653844721 /nfs/dbraw/zinc/84/47/21/653844721.db2.gz ALNZWBWUACTWOA-SHACYNPGSA-N 1 0 391.534 2.191 20 0 GEADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1ccc(Br)cn1 ZINC000792551065 653845740 /nfs/dbraw/zinc/84/57/40/653845740.db2.gz DDXPLBNYRGIOPF-UHFFFAOYSA-N 1 0 375.182 2.287 20 0 GEADRO O=c1[nH]c(Cc2noc(C[C@@H]3CC[NH2+]C3)n2)nc2ccc(Br)cc12 ZINC000822920397 653846248 /nfs/dbraw/zinc/84/62/48/653846248.db2.gz USIOOVLQCZFCRJ-VIFPVBQESA-N 1 0 390.241 2.224 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[NH2+]1 ZINC000883592325 653846467 /nfs/dbraw/zinc/84/64/67/653846467.db2.gz DCIUAFMXWTWYEO-WPRPVWTQSA-N 1 0 383.246 2.042 20 0 GEADRO [NH3+]CCCn1cc(-c2nc(Cc3ccc(F)c(Br)c3)no2)nn1 ZINC000822947339 653846850 /nfs/dbraw/zinc/84/68/50/653846850.db2.gz RLHLMAIYPUZMTC-UHFFFAOYSA-N 1 0 381.209 2.169 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000866902534 653847035 /nfs/dbraw/zinc/84/70/35/653847035.db2.gz DTCWRTYNDJMXRU-VOIUYBSRSA-N 1 0 385.555 2.052 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593508 653847099 /nfs/dbraw/zinc/84/70/99/653847099.db2.gz KUSHHKQLXWKCRD-UHFFFAOYSA-N 1 0 397.273 2.291 20 0 GEADRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ncc(Br)cc1O)C(F)(F)F ZINC000895718239 653847676 /nfs/dbraw/zinc/84/76/76/653847676.db2.gz LFMXLGZTMACPBK-AAOUONPWSA-N 1 0 385.180 2.483 20 0 GEADRO CCO/C=C/[C@](O)(C[NH2+]Cc1ncc(Br)cc1O)C(F)(F)F ZINC000895718241 653847765 /nfs/dbraw/zinc/84/77/65/653847765.db2.gz LFMXLGZTMACPBK-PCAWENJQSA-N 1 0 385.180 2.483 20 0 GEADRO CCSc1cccc(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000883623114 653848385 /nfs/dbraw/zinc/84/83/85/653848385.db2.gz KHUJOSWNDVOHGY-UHFFFAOYSA-N 1 0 376.507 2.237 20 0 GEADRO O[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1ccccc1F ZINC000895750420 653848470 /nfs/dbraw/zinc/84/84/70/653848470.db2.gz YTSUVQYLCQPSQE-CQSZACIVSA-N 1 0 379.233 2.324 20 0 GEADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000883642649 653849078 /nfs/dbraw/zinc/84/90/78/653849078.db2.gz RELOWCGKNJGIGY-LBPRGKRZSA-N 1 0 388.331 2.199 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000883645515 653849491 /nfs/dbraw/zinc/84/94/91/653849491.db2.gz NHNSPDBDWZBHBW-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000866920364 653849521 /nfs/dbraw/zinc/84/95/21/653849521.db2.gz CFSGNFQONOYOHV-CYBMUJFWSA-N 1 0 399.207 2.390 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000883656480 653849763 /nfs/dbraw/zinc/84/97/63/653849763.db2.gz AWDZHAZEKHLQIZ-UHFFFAOYSA-N 1 0 394.313 2.152 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c[nH]nc1I ZINC000895813134 653851460 /nfs/dbraw/zinc/85/14/60/653851460.db2.gz DFNQCXMHNQPQCF-SNVBAGLBSA-N 1 0 378.258 2.255 20 0 GEADRO O=C1OC[C@]2(C[NH2+]Cc3cc(Cl)cc(Br)c3)COCCN12 ZINC000895825755 653851745 /nfs/dbraw/zinc/85/17/45/653851745.db2.gz LVWAOLBAPSLOCZ-AWEZNQCLSA-N 1 0 375.650 2.413 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)c2c[nH]nc2I)([NH+](C)C)C1 ZINC000895833639 653851774 /nfs/dbraw/zinc/85/17/74/653851774.db2.gz BNRAMPSSHXSYAU-QMTHXVAHSA-N 1 0 390.269 2.255 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)c2c[nH]nc2I)([NH+](C)C)C1 ZINC000895833637 653851815 /nfs/dbraw/zinc/85/18/15/653851815.db2.gz BNRAMPSSHXSYAU-HZMBPMFUSA-N 1 0 390.269 2.255 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)c2c[nH]nc2I)([NH+](C)C)C1 ZINC000895833640 653852048 /nfs/dbraw/zinc/85/20/48/653852048.db2.gz BNRAMPSSHXSYAU-YGRLFVJLSA-N 1 0 390.269 2.255 20 0 GEADRO O=S(=O)(C[C@H]1CCCOC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000792756798 653852465 /nfs/dbraw/zinc/85/24/65/653852465.db2.gz GFMRZNPKUGCDET-INIZCTEOSA-N 1 0 376.588 2.084 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000883771848 653852792 /nfs/dbraw/zinc/85/27/92/653852792.db2.gz RWJVSZZPMYOKGS-ZDUSSCGKSA-N 1 0 394.273 2.393 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)c3sc(N(C)C)nc3Cl)CC2)c1 ZINC000823121674 653854402 /nfs/dbraw/zinc/85/44/02/653854402.db2.gz UGBWILBDHZMKRT-UHFFFAOYSA-N 1 0 381.889 2.229 20 0 GEADRO C[C@@H](NC(=O)Cc1noc([C@H]2C[NH2+]CCO2)n1)c1ccc(Cl)cc1Cl ZINC000823128740 653854640 /nfs/dbraw/zinc/85/46/40/653854640.db2.gz LVJHUUKXIWCAHQ-NOZJJQNGSA-N 1 0 385.251 2.457 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)([NH+](C)C)C1 ZINC000823147542 653855431 /nfs/dbraw/zinc/85/54/31/653855431.db2.gz TUOGBNBUWBDIHW-YVEFUNNKSA-N 1 0 387.933 2.379 20 0 GEADRO O=C(NCc1noc([C@@H]2C[C@]23CC[NH2+]C3)n1)c1ccc(Br)cc1 ZINC000823200348 653857583 /nfs/dbraw/zinc/85/75/83/653857583.db2.gz ULFCTAJEXWMFHY-LRDDRELGSA-N 1 0 377.242 2.229 20 0 GEADRO CC[S@@](C)(=O)=NS(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000866968949 653857654 /nfs/dbraw/zinc/85/76/54/653857654.db2.gz QPFSFXQBFSSYJN-IQMFZBJNSA-N 1 0 379.592 2.325 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCC[C@@H]3CC3(Cl)Cl)CC2)C1 ZINC000845666321 653857710 /nfs/dbraw/zinc/85/77/10/653857710.db2.gz FRFDENWKWOXKLT-HUUCEWRRSA-N 1 0 377.360 2.382 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(Br)n1)Cc1ccccc1 ZINC000792967415 653857985 /nfs/dbraw/zinc/85/79/85/653857985.db2.gz ALVHZXGLQWNLFA-UHFFFAOYSA-N 1 0 391.269 2.031 20 0 GEADRO C[C@@H](C[NH+]1CCCC1)OC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000845670030 653858049 /nfs/dbraw/zinc/85/80/49/653858049.db2.gz OAKOBYSQXGWOBE-NSHDSACASA-N 1 0 395.253 2.073 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000895975697 653859204 /nfs/dbraw/zinc/85/92/04/653859204.db2.gz YWWSGOPOIBOERT-LLVKDONJSA-N 1 0 390.269 2.173 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000895971731 653859312 /nfs/dbraw/zinc/85/93/12/653859312.db2.gz MUDPQEMSUAGVHA-LRDDRELGSA-N 1 0 395.297 2.379 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000895975698 653859411 /nfs/dbraw/zinc/85/94/11/653859411.db2.gz YWWSGOPOIBOERT-NSHDSACASA-N 1 0 390.269 2.173 20 0 GEADRO C[C@]1(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1(Cl)Cl ZINC000866982717 653859739 /nfs/dbraw/zinc/85/97/39/653859739.db2.gz TVJJWJTYXICXCB-RBSFLKMASA-N 1 0 399.384 2.258 20 0 GEADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1nn2c(c1Br)CCC2 ZINC000884010824 653860415 /nfs/dbraw/zinc/86/04/15/653860415.db2.gz MOYCDGBEXJCEBN-NSHDSACASA-N 1 0 379.258 2.030 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884020635 653860693 /nfs/dbraw/zinc/86/06/93/653860693.db2.gz DRSXSRXEALENRY-SECBINFHSA-N 1 0 384.665 2.104 20 0 GEADRO C[C@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)[C@@H]1CCC[NH2+]C1 ZINC000884019696 653860722 /nfs/dbraw/zinc/86/07/22/653860722.db2.gz ZKFIXAUVDFBKGH-JVLSTEMRSA-N 1 0 381.270 2.035 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)[C@@]23CC[N@H+](C2)CCC3)ccc1Br ZINC000896021164 653860924 /nfs/dbraw/zinc/86/09/24/653860924.db2.gz XUBPNOPCTSRKIV-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000884035094 653860941 /nfs/dbraw/zinc/86/09/41/653860941.db2.gz RSCFHYOIPCTIFU-NVBFEUDRSA-N 1 0 381.270 2.116 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nc1Br ZINC000793005119 653861053 /nfs/dbraw/zinc/86/10/53/653861053.db2.gz LATHMOBRAAETNO-QWHCGFSZSA-N 1 0 395.301 2.034 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000884035092 653861057 /nfs/dbraw/zinc/86/10/57/653861057.db2.gz RSCFHYOIPCTIFU-ITDIGPHOSA-N 1 0 381.270 2.116 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000866991783 653861196 /nfs/dbraw/zinc/86/11/96/653861196.db2.gz DJBBPPSSJDJKPK-VOIUYBSRSA-N 1 0 387.571 2.346 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1 ZINC000884046905 653861376 /nfs/dbraw/zinc/86/13/76/653861376.db2.gz WYRBDEXGAUMSJL-HNNXBMFYSA-N 1 0 392.253 2.027 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866993200 653861880 /nfs/dbraw/zinc/86/18/80/653861880.db2.gz VBUQMTMRHXLWIJ-GFCCVEGCSA-N 1 0 382.452 2.085 20 0 GEADRO CC(=O)c1cc(Br)c(F)cc1OS(=O)(=O)CCC[NH+](C)C ZINC000866994168 653861949 /nfs/dbraw/zinc/86/19/49/653861949.db2.gz HNACWLFRMWNMJN-UHFFFAOYSA-N 1 0 382.251 2.451 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1Br ZINC000793045841 653863816 /nfs/dbraw/zinc/86/38/16/653863816.db2.gz DLIPYRFCXOSYKB-NWDGAFQWSA-N 1 0 383.290 2.032 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000867003679 653863918 /nfs/dbraw/zinc/86/39/18/653863918.db2.gz ODDZYLARDOVWQM-UHFFFAOYSA-N 1 0 379.592 2.372 20 0 GEADRO O=C(c1c[nH]nc1I)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000896132794 653865913 /nfs/dbraw/zinc/86/59/13/653865913.db2.gz LKKYOZXOWCOLPG-LLVKDONJSA-N 1 0 388.253 2.105 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000896137791 653866151 /nfs/dbraw/zinc/86/61/51/653866151.db2.gz IQLGEVYWFWSSHE-GFCCVEGCSA-N 1 0 379.448 2.326 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884192858 653867364 /nfs/dbraw/zinc/86/73/64/653867364.db2.gz PVXGMEIOSJAYJO-GXFFZTMASA-N 1 0 394.235 2.449 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(Br)cc1 ZINC000884195140 653867480 /nfs/dbraw/zinc/86/74/80/653867480.db2.gz CSRPHWQPDCGWIO-HUUCEWRRSA-N 1 0 390.285 2.024 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@H](N)c2ccc(Br)cc2)CC1 ZINC000884217264 653868302 /nfs/dbraw/zinc/86/83/02/653868302.db2.gz JZTBTPNNBRZRCN-MRXNPFEDSA-N 1 0 398.345 2.455 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(Br)cc1 ZINC000884230418 653868535 /nfs/dbraw/zinc/86/85/35/653868535.db2.gz RAXKQJHYLKAHMQ-HIFRSBDPSA-N 1 0 393.260 2.378 20 0 GEADRO CN(C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884240254 653868909 /nfs/dbraw/zinc/86/89/09/653868909.db2.gz NTVQCCAFTOMFQD-DXBFTMOHSA-N 1 0 393.281 2.272 20 0 GEADRO O=C(COCCc1ccc(Br)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000884299133 653870989 /nfs/dbraw/zinc/87/09/89/653870989.db2.gz MNWBBFZVNKZJOJ-CYBMUJFWSA-N 1 0 377.229 2.122 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884301625 653871206 /nfs/dbraw/zinc/87/12/06/653871206.db2.gz AAJOJSRFSXKUJG-UONOGXRCSA-N 1 0 381.270 2.035 20 0 GEADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@H]2C[C@]2(C)Br)cc1 ZINC000896276130 653872105 /nfs/dbraw/zinc/87/21/05/653872105.db2.gz LNWKIKGLWYPOIC-CABCVRRESA-N 1 0 375.332 2.341 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884361094 653874140 /nfs/dbraw/zinc/87/41/40/653874140.db2.gz LYBINFZMBDDZBM-OLZOCXBDSA-N 1 0 389.315 2.017 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884361096 653874162 /nfs/dbraw/zinc/87/41/62/653874162.db2.gz LYBINFZMBDDZBM-STQMWFEESA-N 1 0 389.315 2.017 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884371562 653874493 /nfs/dbraw/zinc/87/44/93/653874493.db2.gz QXZBNAROWZEJMK-HIFRSBDPSA-N 1 0 393.281 2.322 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1Cc3ccc(Br)cc3C(=O)O1)C2 ZINC000884382282 653874755 /nfs/dbraw/zinc/87/47/55/653874755.db2.gz FYHXKQUUHSMUKS-QITLCBANSA-N 1 0 393.281 2.118 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884470604 653877720 /nfs/dbraw/zinc/87/77/20/653877720.db2.gz UYWLVSHERHAVQA-FDKDBAQKSA-N 1 0 393.281 2.177 20 0 GEADRO COC(=O)c1oc(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)cc1C ZINC000884463132 653877765 /nfs/dbraw/zinc/87/77/65/653877765.db2.gz YGJXJCIZHABGPT-ZDUSSCGKSA-N 1 0 381.226 2.453 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884495757 653878718 /nfs/dbraw/zinc/87/87/18/653878718.db2.gz DCIBKOIGNAJNBS-OAHLLOKOSA-N 1 0 396.329 2.268 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000884515376 653879366 /nfs/dbraw/zinc/87/93/66/653879366.db2.gz GIAHNPPLUSWBOI-UHFFFAOYSA-N 1 0 384.318 2.085 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000896430427 653879709 /nfs/dbraw/zinc/87/97/09/653879709.db2.gz XRZPYWCPTFGQGC-CHWSQXEVSA-N 1 0 388.990 2.303 20 0 GEADRO O=c1[nH]c(NC[C@H]2CCC[N@H+]2CCCO)nc2ccc(Br)cc12 ZINC000884518552 653879761 /nfs/dbraw/zinc/87/97/61/653879761.db2.gz SMRQLRJFMGUDQU-GFCCVEGCSA-N 1 0 381.274 2.357 20 0 GEADRO COC(=O)c1ccc(CN2CC[NH+](CCCCO)CC2)c(Br)c1 ZINC000793580819 653880346 /nfs/dbraw/zinc/88/03/46/653880346.db2.gz SKNVGLPNCQVOMF-UHFFFAOYSA-N 1 0 385.302 2.126 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c(Br)n1 ZINC000846015249 653880583 /nfs/dbraw/zinc/88/05/83/653880583.db2.gz KYVNYMAJKVYPMS-UHFFFAOYSA-N 1 0 385.306 2.185 20 0 GEADRO C[C@]1(C2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)COC(=O)N1 ZINC000896468489 653881176 /nfs/dbraw/zinc/88/11/76/653881176.db2.gz YNVKWEPILUAFLM-MRXNPFEDSA-N 1 0 394.273 2.202 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)c1cnn(C(C)(C)C)c1I ZINC000896507592 653881891 /nfs/dbraw/zinc/88/18/91/653881891.db2.gz YGXJHWRUYXNIJZ-UHFFFAOYSA-N 1 0 392.285 2.361 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1C[N@H+](C)CCN1C ZINC000896537437 653882956 /nfs/dbraw/zinc/88/29/56/653882956.db2.gz YQEPMKBUBRVKAG-BJJXKVORSA-N 1 0 396.329 2.066 20 0 GEADRO C[C@@H](NC(=O)c1cc2c(ccc(F)c2Br)[nH]1)[C@@H]1C[N@H+](C)CCN1C ZINC000896537473 653883115 /nfs/dbraw/zinc/88/31/15/653883115.db2.gz ZJTHGSCLVXPURV-BMIGLBTASA-N 1 0 397.292 2.434 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000884653147 653883160 /nfs/dbraw/zinc/88/31/60/653883160.db2.gz TXPYJSFSEHESDT-NSHDSACASA-N 1 0 388.331 2.021 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)[NH+]1CCCCC1 ZINC000793711771 653883401 /nfs/dbraw/zinc/88/34/01/653883401.db2.gz XRDOTJLUPLFKFU-STQMWFEESA-N 1 0 397.317 2.012 20 0 GEADRO C[C@H](NC(=O)c1nc2ccccc2cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896541545 653883476 /nfs/dbraw/zinc/88/34/76/653883476.db2.gz KTKMLKVJUKDHAH-BLLLJJGKSA-N 1 0 391.313 2.361 20 0 GEADRO C[C@@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896539762 653883506 /nfs/dbraw/zinc/88/35/06/653883506.db2.gz BPGSDIUHZSEERV-MLGOLLRUSA-N 1 0 398.320 2.370 20 0 GEADRO C[C@@H](NC(=O)C(F)(F)c1ccccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896539261 653883584 /nfs/dbraw/zinc/88/35/84/653883584.db2.gz LLNLLKNDBXUNIW-RISCZKNCSA-N 1 0 390.272 2.291 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000846034644 653883882 /nfs/dbraw/zinc/88/38/82/653883882.db2.gz DRHDOSBXOJURGX-UHFFFAOYSA-N 1 0 387.933 2.148 20 0 GEADRO C[C@@H](NC(=O)c1cc(Br)c(F)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896541857 653884077 /nfs/dbraw/zinc/88/40/77/653884077.db2.gz IPGAEIORPLOPAF-OTYXRUKQSA-N 1 0 376.245 2.091 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896544869 653884140 /nfs/dbraw/zinc/88/41/40/653884140.db2.gz NBZVZGLZFOTPDD-KOLCDFICSA-N 1 0 378.514 2.059 20 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GEADRO CC[C@](O)(CCC(F)(F)F)CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000896608421 653887760 /nfs/dbraw/zinc/88/77/60/653887760.db2.gz FFVJBOULQGVWOO-GUTXKFCHSA-N 1 0 383.480 2.349 20 0 GEADRO OC1(C2(C[NH2+]Cc3sc(N4CCOCC4)nc3Cl)CC2)CCOCC1 ZINC000896624762 653888271 /nfs/dbraw/zinc/88/82/71/653888271.db2.gz GFHTZWIGEOSPRF-UHFFFAOYSA-N 1 0 387.933 2.044 20 0 GEADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000846175825 653888997 /nfs/dbraw/zinc/88/89/97/653888997.db2.gz ZGVFBVCMAJFTJD-MNOVXSKESA-N 1 0 391.265 2.096 20 0 GEADRO O=C(NCCC[C@H]1CC1(Cl)Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000846175828 653889332 /nfs/dbraw/zinc/88/93/32/653889332.db2.gz ZGVFBVCMAJFTJD-QWRGUYRKSA-N 1 0 391.265 2.096 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)NCc2cccc(Br)c2C)CC1 ZINC000884774204 653889597 /nfs/dbraw/zinc/88/95/97/653889597.db2.gz HDQLXENMZLEEBI-UHFFFAOYSA-N 1 0 382.302 2.104 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC[N@@H+]1C ZINC000896668315 653889936 /nfs/dbraw/zinc/88/99/36/653889936.db2.gz SCCBIEUVFZZMLL-DGFSRKRXSA-N 1 0 381.270 2.130 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000884823406 653890412 /nfs/dbraw/zinc/89/04/12/653890412.db2.gz TVJHRVBRIJJFES-NSHDSACASA-N 1 0 377.432 2.278 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000846248518 653893116 /nfs/dbraw/zinc/89/31/16/653893116.db2.gz WOMRXMLJGKUHAG-ZWKOTPCHSA-N 1 0 375.916 2.386 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884911648 653894557 /nfs/dbraw/zinc/89/45/57/653894557.db2.gz QPDPRXQGERLCCO-SAZUREKKSA-N 1 0 396.329 2.350 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884922606 653895036 /nfs/dbraw/zinc/89/50/36/653895036.db2.gz ZIUDAKADOKFPMU-NNUKFRKNSA-N 1 0 382.302 2.041 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCc2cc(Br)c(F)cc2C1 ZINC000884924653 653895058 /nfs/dbraw/zinc/89/50/58/653895058.db2.gz IGTZFBWJEFEGMQ-AWEZNQCLSA-N 1 0 383.261 2.194 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)ccc1F ZINC000884950993 653897050 /nfs/dbraw/zinc/89/70/50/653897050.db2.gz VYMMSTILLAXVLZ-NEPJUHHUSA-N 1 0 377.279 2.493 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1F ZINC000884955881 653897772 /nfs/dbraw/zinc/89/77/72/653897772.db2.gz WMGUNCKUEQPECC-GHMZBOCLSA-N 1 0 377.279 2.493 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000884958873 653898366 /nfs/dbraw/zinc/89/83/66/653898366.db2.gz FSGIMASBPBYCEC-NEPJUHHUSA-N 1 0 387.889 2.423 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884973650 653902157 /nfs/dbraw/zinc/90/21/57/653902157.db2.gz BRGJPLSVYUAWQI-CQSZACIVSA-N 1 0 396.329 2.302 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000884977606 653902796 /nfs/dbraw/zinc/90/27/96/653902796.db2.gz YGFPKGAXXSLMLL-UHFFFAOYSA-N 1 0 377.794 2.172 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1=O ZINC000846587529 653903757 /nfs/dbraw/zinc/90/37/57/653903757.db2.gz LIPZCNGCZBYIKP-QLFBSQMISA-N 1 0 390.355 2.409 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000794338679 653903827 /nfs/dbraw/zinc/90/38/27/653903827.db2.gz IWMGCCRWRAQPKS-UHFFFAOYSA-N 1 0 395.232 2.349 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCSCCC(F)(F)F)C1 ZINC000884991334 653903911 /nfs/dbraw/zinc/90/39/11/653903911.db2.gz VWIVDWHJLANSEL-HNNXBMFYSA-N 1 0 383.480 2.012 20 0 GEADRO CSc1nsc(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)n1 ZINC000846630823 653904800 /nfs/dbraw/zinc/90/48/00/653904800.db2.gz IKZQKMSXWASLGR-VIFPVBQESA-N 1 0 375.520 2.044 20 0 GEADRO Cc1cc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c(Br)cc1F ZINC000897044524 653905013 /nfs/dbraw/zinc/90/50/13/653905013.db2.gz BMKAMZKDKVOBND-ZDUSSCGKSA-N 1 0 385.277 2.360 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885012986 653906044 /nfs/dbraw/zinc/90/60/44/653906044.db2.gz WGMGESWVYAQYMU-RBVVOMGSSA-N 1 0 394.313 2.054 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000846670915 653906248 /nfs/dbraw/zinc/90/62/48/653906248.db2.gz VWAYMKXOVCWPOQ-JTQLQIEISA-N 1 0 380.388 2.317 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C2 ZINC000846688524 653906350 /nfs/dbraw/zinc/90/63/50/653906350.db2.gz NDGOQYKKKXBAOJ-WFASDCNBSA-N 1 0 376.400 2.181 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000846720367 653907625 /nfs/dbraw/zinc/90/76/25/653907625.db2.gz FXBJTHGTAMGNQP-ZWKOTPCHSA-N 1 0 375.916 2.436 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)C1 ZINC000846722043 653907702 /nfs/dbraw/zinc/90/77/02/653907702.db2.gz PVUXBHAVDJPRKE-DACLVMHWSA-N 1 0 375.916 2.292 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000885040809 653908435 /nfs/dbraw/zinc/90/84/35/653908435.db2.gz NMVDDHNGYYKMFY-KRWDZBQOSA-N 1 0 376.563 2.143 20 0 GEADRO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824827191 653909547 /nfs/dbraw/zinc/90/95/47/653909547.db2.gz AXQXURVVMHZUII-QWRGUYRKSA-N 1 0 378.826 2.479 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2I)[C@H]1c1ccccc1 ZINC000897240180 653912206 /nfs/dbraw/zinc/91/22/06/653912206.db2.gz AHPHLSZRELAYHI-QWHCGFSZSA-N 1 0 396.232 2.190 20 0 GEADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCc2ncc(Cl)s2)cc1 ZINC000885109287 653912804 /nfs/dbraw/zinc/91/28/04/653912804.db2.gz MOOZWPHWLMYNGR-ZDUSSCGKSA-N 1 0 380.901 2.352 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000867309164 653913269 /nfs/dbraw/zinc/91/32/69/653913269.db2.gz QXLQFIGIHIPTAO-GZMMTYOYSA-N 1 0 382.711 2.211 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1Br ZINC000867310285 653913289 /nfs/dbraw/zinc/91/32/89/653913289.db2.gz YCKFQKCRZQFHIJ-BONVTDFDSA-N 1 0 389.315 2.365 20 0 GEADRO CCn1nc(C)c(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)n1 ZINC000825072177 653916318 /nfs/dbraw/zinc/91/63/18/653916318.db2.gz BZJRCJLBVYRBPS-CQSZACIVSA-N 1 0 397.317 2.318 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000897389905 653918942 /nfs/dbraw/zinc/91/89/42/653918942.db2.gz RHXZOUINUDFIHN-UHFFFAOYSA-N 1 0 384.307 2.395 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000825196517 653920452 /nfs/dbraw/zinc/92/04/52/653920452.db2.gz IBKXWYMJUYUCAE-NEPJUHHUSA-N 1 0 387.933 2.274 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)/C=C/c1ccc(I)o1)C(F)(F)F ZINC000825202072 653920914 /nfs/dbraw/zinc/92/09/14/653920914.db2.gz PFXBTEVIZUJROX-BYDTYLDUSA-N 1 0 388.127 2.293 20 0 GEADRO CCn1ncc(C(=O)N2CCN[C@H](c3cccc(OC)c3)C2)c1Br ZINC000825208747 653920950 /nfs/dbraw/zinc/92/09/50/653920950.db2.gz PVGMMHWQXMTLLK-HNNXBMFYSA-N 1 0 393.285 2.461 20 0 GEADRO COc1cccc([C@@H]2CN(C(=O)c3cc(N)nc(Br)c3)CCN2)c1 ZINC000825207096 653920973 /nfs/dbraw/zinc/92/09/73/653920973.db2.gz CIVUJYDISRRINY-AWEZNQCLSA-N 1 0 391.269 2.222 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)c1cn(-c2ccccc2Br)nn1)C(F)(F)F ZINC000825208448 653921063 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O=S(=O)(CCC[NH+]1CCCC1)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000867390786 653926404 /nfs/dbraw/zinc/92/64/04/653926404.db2.gz VIPXWXDCTUZTFI-UHFFFAOYSA-N 1 0 387.933 2.394 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCCCn1cc(Br)cn1 ZINC000794990460 653926495 /nfs/dbraw/zinc/92/64/95/653926495.db2.gz FUGFJURLLFTMGH-CQSZACIVSA-N 1 0 388.379 2.374 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000897570366 653927822 /nfs/dbraw/zinc/92/78/22/653927822.db2.gz PPTSQSJNXJMRAH-GDBMZVCRSA-N 1 0 395.297 2.473 20 0 GEADRO Cc1nc(Cl)c(Cl)cc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000847424659 653928377 /nfs/dbraw/zinc/92/83/77/653928377.db2.gz MPFIKHJYOCGMOJ-CQSZACIVSA-N 1 0 385.295 2.251 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2nc(Cl)sc2Cl)CC1 ZINC000847477068 653930109 /nfs/dbraw/zinc/93/01/09/653930109.db2.gz AATGHZBBWRXCMV-UHFFFAOYSA-N 1 0 379.313 2.122 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc(-c3ccccc3Br)s2)C1 ZINC000867417770 653930172 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C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cccn3c(I)cnc23)C1 ZINC000848293611 653969172 /nfs/dbraw/zinc/96/91/72/653969172.db2.gz SVAGVSWTCHAFET-PHIMTYICSA-N 1 0 398.248 2.009 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000795849802 653970186 /nfs/dbraw/zinc/97/01/86/653970186.db2.gz BAQMQUMAYCKYBJ-OLZOCXBDSA-N 1 0 383.286 2.359 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCCC2SCCS2)C1 ZINC000827012518 653970491 /nfs/dbraw/zinc/97/04/91/653970491.db2.gz ZPSPDILZLKTHEB-HUUCEWRRSA-N 1 0 387.615 2.173 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(F)cc1Cl ZINC000795854666 653971233 /nfs/dbraw/zinc/97/12/33/653971233.db2.gz DWMBPEHURLNDGL-QMTHXVAHSA-N 1 0 392.880 2.226 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H]1CS[C@H](C(C)C)C1)CCS2(=O)=O ZINC000898487963 653973395 /nfs/dbraw/zinc/97/33/95/653973395.db2.gz PYYQWDULNYCEBF-QJNCVLDKSA-N 1 0 375.556 2.005 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)CCS2(=O)=O ZINC000898488023 653973418 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Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1C ZINC000886293879 653977334 /nfs/dbraw/zinc/97/73/34/653977334.db2.gz YNPKLOJBGMLUSY-ABAIWWIYSA-N 1 0 398.326 2.466 20 0 GEADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886320961 653978494 /nfs/dbraw/zinc/97/84/94/653978494.db2.gz MNTYZQVZZHMMBX-UHFFFAOYSA-N 1 0 382.917 2.348 20 0 GEADRO O=C1NCCN1CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000886323994 653978910 /nfs/dbraw/zinc/97/89/10/653978910.db2.gz VAEUTFXBGQBMJX-UHFFFAOYSA-N 1 0 377.080 2.326 20 0 GEADRO Cc1cc(Br)cc(C[NH2+]CCN2CCNC2=O)c1OC(F)F ZINC000886323606 653978921 /nfs/dbraw/zinc/97/89/21/653978921.db2.gz BCOOFESEDWDRSV-UHFFFAOYSA-N 1 0 378.217 2.474 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000898659703 653979260 /nfs/dbraw/zinc/97/92/60/653979260.db2.gz JKIHWFBCLOQSHA-BLLLJJGKSA-N 1 0 386.323 2.451 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c(F)cc1Cl ZINC000795945551 653979460 /nfs/dbraw/zinc/97/94/60/653979460.db2.gz QQVYKCCZDSMNFT-UHFFFAOYSA-N 1 0 378.853 2.028 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(F)cc1Cl ZINC000848475295 653980265 /nfs/dbraw/zinc/98/02/65/653980265.db2.gz LFFNBOWXIAHGDJ-PHIMTYICSA-N 1 0 392.880 2.274 20 0 GEADRO COC(=O)c1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)n(C)c1C ZINC000898719273 653981529 /nfs/dbraw/zinc/98/15/29/653981529.db2.gz DEBXPAGPHNVTTJ-NSHDSACASA-N 1 0 381.274 2.184 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(I)cc3O)CC[C@H]21 ZINC000827216889 653981596 /nfs/dbraw/zinc/98/15/96/653981596.db2.gz FWIXHPFZHSZQFK-ZWNOBZJWSA-N 1 0 386.233 2.163 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CC3(Br)Br)CC[C@H]21 ZINC000827231015 653982023 /nfs/dbraw/zinc/98/20/23/653982023.db2.gz FQNXLMASQBUFPO-CKYFFXLPSA-N 1 0 380.124 2.435 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)CC[C@@H]21 ZINC000827230716 653982150 /nfs/dbraw/zinc/98/21/50/653982150.db2.gz CUEVISJLKVXLKG-OCCSQVGLSA-N 1 0 376.400 2.146 20 0 GEADRO Cc1nn2c(C[NH2+][C@H]3CCc4ncc(Br)n4C3)c(C)nc2s1 ZINC000898723878 653982707 /nfs/dbraw/zinc/98/27/07/653982707.db2.gz JBRXBSDMKNJXHC-JTQLQIEISA-N 1 0 381.303 2.471 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3S(=O)(=O)C(F)(F)F)CC[C@H]21 ZINC000827253807 653983356 /nfs/dbraw/zinc/98/33/56/653983356.db2.gz LIEMDGCMIVADMB-WCQYABFASA-N 1 0 376.400 2.146 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCCC[C@H]2C[NH3+])c1I ZINC000867964341 654011196 /nfs/dbraw/zinc/01/11/96/654011196.db2.gz MGJBJBFQOVVCFR-JTQLQIEISA-N 1 0 376.242 2.022 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)CC[C@@H]21 ZINC000827321556 653985742 /nfs/dbraw/zinc/98/57/42/653985742.db2.gz VLVSOIRDUWPXIY-BZNIZROVSA-N 1 0 390.281 2.457 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C(F)(F)F)n1 ZINC000827337353 653986832 /nfs/dbraw/zinc/98/68/32/653986832.db2.gz LKUGYQVBXQFWRU-YWPYICTPSA-N 1 0 377.432 2.144 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnc(Cl)n1C ZINC000848552863 653987310 /nfs/dbraw/zinc/98/73/10/653987310.db2.gz OZUMNIZVVZCKOY-UHFFFAOYSA-N 1 0 377.297 2.103 20 0 GEADRO COC(=O)c1nscc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000867793894 653987745 /nfs/dbraw/zinc/98/77/45/653987745.db2.gz LSFFBFPOMLMPSY-ZDUSSCGKSA-N 1 0 387.527 2.005 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848598674 653988473 /nfs/dbraw/zinc/98/84/73/653988473.db2.gz PNBLIXSYSKRVEO-MNOVXSKESA-N 1 0 384.196 2.014 20 0 GEADRO C[C@@H](NC(=S)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Br)cc1 ZINC000848650504 653989564 /nfs/dbraw/zinc/98/95/64/653989564.db2.gz OUNQRJCFECHSJJ-BYCMXARLSA-N 1 0 384.343 2.135 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000867808392 653990296 /nfs/dbraw/zinc/99/02/96/653990296.db2.gz MYWHVYHITPZJKW-WBMJQRKESA-N 1 0 386.901 2.231 20 0 GEADRO O=C1O[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CN1C1CC1 ZINC000848677771 653990586 /nfs/dbraw/zinc/99/05/86/653990586.db2.gz GFPHGLFKJPTHTI-VXGBXAGGSA-N 1 0 375.252 2.306 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3F)CC[C@@H]21 ZINC000867811645 653991440 /nfs/dbraw/zinc/99/14/40/653991440.db2.gz FDGKRSODRAAOOB-MFKMUULPSA-N 1 0 377.279 2.303 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1Cl ZINC000867811892 653991499 /nfs/dbraw/zinc/99/14/99/653991499.db2.gz HAZOBAIDAIOHHT-XHDPSFHLSA-N 1 0 389.880 2.152 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCC2SCCS2)C1 ZINC000827441291 653992010 /nfs/dbraw/zinc/99/20/10/653992010.db2.gz KIUBKLNGPKNVLS-ZIAGYGMSSA-N 1 0 387.615 2.172 20 0 GEADRO CC(C)C[C@H]1CN(C)CCN1C(=O)c1cc(Br)cn2ncnc12 ZINC000886602433 653993012 /nfs/dbraw/zinc/99/30/12/653993012.db2.gz RINLFKHYHXATSV-ZDUSSCGKSA-N 1 0 380.290 2.294 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868249250 654025296 /nfs/dbraw/zinc/02/52/96/654025296.db2.gz WVHLOBAWSDIQGS-ZETCQYMHSA-N 1 0 393.079 2.004 20 0 GEADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1nn2c(c1Br)CCC2 ZINC000898991141 653994497 /nfs/dbraw/zinc/99/44/97/653994497.db2.gz TXMPKXZHGHFLTJ-UHFFFAOYSA-N 1 0 381.318 2.444 20 0 GEADRO CCN(CCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)S(C)(=O)=O ZINC000796274844 653994885 /nfs/dbraw/zinc/99/48/85/653994885.db2.gz CHPSUARLRGLMOX-UHFFFAOYSA-N 1 0 379.313 2.402 20 0 GEADRO Cn1ccn2c(CC[NH2+][C@@H]3CCc4cc(Br)ccc43)nnc2c1=O ZINC000886696824 653994924 /nfs/dbraw/zinc/99/49/24/653994924.db2.gz WZCXLFNZSBMASX-CQSZACIVSA-N 1 0 388.269 2.010 20 0 GEADRO Cc1cc(Br)ccc1[C@@H](C)[NH2+]CCc1nnc2c(=O)n(C)ccn12 ZINC000886702020 653995307 /nfs/dbraw/zinc/99/53/07/653995307.db2.gz ZBUUKGFEBHUNSF-GFCCVEGCSA-N 1 0 390.285 2.392 20 0 GEADRO CC(C)[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC[N@@H+]1C ZINC000827499955 653995423 /nfs/dbraw/zinc/99/54/23/653995423.db2.gz RPOOCLFPUDZJPB-OAHLLOKOSA-N 1 0 387.933 2.003 20 0 GEADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1c(Cl)nc3cc(Cl)ccn31)CC2 ZINC000796325496 653995954 /nfs/dbraw/zinc/99/59/54/653995954.db2.gz VKDHJOIVPAKGOR-NSHDSACASA-N 1 0 381.267 2.484 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)ccc1OC(F)F ZINC000886732748 653996190 /nfs/dbraw/zinc/99/61/90/653996190.db2.gz PXSSCQDPJCTYDX-NSHDSACASA-N 1 0 378.441 2.371 20 0 GEADRO CN(C)S(=O)(=O)C1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000886737354 653996780 /nfs/dbraw/zinc/99/67/80/653996780.db2.gz YUZVJHRZDYZPMS-CQSZACIVSA-N 1 0 377.432 2.491 20 0 GEADRO Cn1ncc(I)c1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000796606393 654001734 /nfs/dbraw/zinc/00/17/34/654001734.db2.gz AVIULYLSZXXGDK-SNVBAGLBSA-N 1 0 377.226 2.056 20 0 GEADRO O=c1cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)nc2ccc(Br)cn12 ZINC000886828155 654003022 /nfs/dbraw/zinc/00/30/22/654003022.db2.gz YNWINEGSYKGCEA-IUODEOHRSA-N 1 0 378.270 2.458 20 0 GEADRO CCOCCCNC(=[NH2+])NCCC(=O)N(C)Cc1ccccc1Br ZINC000849102377 654004307 /nfs/dbraw/zinc/00/43/07/654004307.db2.gz OQSVWQMVAPXQAC-UHFFFAOYSA-N 1 0 399.333 2.338 20 0 GEADRO COc1cc(Br)cc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000899212355 654004794 /nfs/dbraw/zinc/00/47/94/654004794.db2.gz PQKSTWZAERYMSO-UHFFFAOYSA-N 1 0 397.313 2.424 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)NC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000849114286 654005075 /nfs/dbraw/zinc/00/50/75/654005075.db2.gz BVAGASJZIPGSMU-KOLCDFICSA-N 1 0 381.329 2.496 20 0 GEADRO CCOCCCNC(=[NH2+])NC[C@H](CO)Cc1cccc(Br)c1C ZINC000849117173 654005335 /nfs/dbraw/zinc/00/53/35/654005335.db2.gz UTJWYJSPRYYTQN-CQSZACIVSA-N 1 0 386.334 2.449 20 0 GEADRO O=c1cc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000886865477 654005842 /nfs/dbraw/zinc/00/58/42/654005842.db2.gz LJQYRYKMXWKZOS-SFHVURJKSA-N 1 0 391.313 2.423 20 0 GEADRO Brc1ncccc1OCc1cn(CCC[NH+]2CCSCC2)nn1 ZINC000849143794 654005892 /nfs/dbraw/zinc/00/58/92/654005892.db2.gz ONEMLCLPKJHEAD-UHFFFAOYSA-N 1 0 398.330 2.454 20 0 GEADRO CC[NH+](CC)CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000849167990 654006255 /nfs/dbraw/zinc/00/62/55/654006255.db2.gz HOEIVRVGQAKYPD-OAHLLOKOSA-N 1 0 388.555 2.342 20 0 GEADRO COC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)[C@H]1CCCOC1 ZINC000886905190 654008972 /nfs/dbraw/zinc/00/89/72/654008972.db2.gz BAUHYWZZPNXUEA-QRTARXTBSA-N 1 0 388.302 2.220 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(Cc2ccccn2)CC1)c1cccc(Br)c1 ZINC000867959480 654010741 /nfs/dbraw/zinc/01/07/41/654010741.db2.gz ANGCREGFGTWVGX-QGZVFWFLSA-N 1 0 389.297 2.188 20 0 GEADRO CC(C)C(=O)NC1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000867961190 654010800 /nfs/dbraw/zinc/01/08/00/654010800.db2.gz TUZWCRZOVDZXAZ-HNNXBMFYSA-N 1 0 382.302 2.212 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])c1cccc(Br)c1 ZINC000867960167 654010815 /nfs/dbraw/zinc/01/08/15/654010815.db2.gz JTEVLILOAYCDFM-LYRGGWFBSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)c1Br ZINC000796876067 654010934 /nfs/dbraw/zinc/01/09/34/654010934.db2.gz JDXLTODKPHGKEC-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000867964716 654011161 /nfs/dbraw/zinc/01/11/61/654011161.db2.gz RCKHQQBRAHGRHA-XFJVYGCCSA-N 1 0 382.302 2.131 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1)C1CC1 ZINC000886982625 654012358 /nfs/dbraw/zinc/01/23/58/654012358.db2.gz WDWLHDSFFSJXFP-OAHLLOKOSA-N 1 0 376.254 2.394 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886983914 654012383 /nfs/dbraw/zinc/01/23/83/654012383.db2.gz LKYKYQCRTQDCCE-ZUZCIYMTSA-N 1 0 376.254 2.407 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)c1cccc(Br)c1 ZINC000867978295 654012458 /nfs/dbraw/zinc/01/24/58/654012458.db2.gz JBUAPKOTIZVHNV-CVEARBPZSA-N 1 0 382.302 2.260 20 0 GEADRO CC(C)n1ncc(C(=O)NCc2ccc(C[NH3+])cc2)c1I ZINC000867982568 654013041 /nfs/dbraw/zinc/01/30/41/654013041.db2.gz TUYQXLLGSRFMLE-UHFFFAOYSA-N 1 0 398.248 2.457 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000849328422 654013402 /nfs/dbraw/zinc/01/34/02/654013402.db2.gz ZSECEEWCKJBFES-CQSZACIVSA-N 1 0 376.316 2.287 20 0 GEADRO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)c1nc2ncc(Br)cn2n1 ZINC000867988669 654013424 /nfs/dbraw/zinc/01/34/24/654013424.db2.gz ROLNTOPJRORZOS-GFCCVEGCSA-N 1 0 387.241 2.326 20 0 GEADRO C[C@H](NC(=O)c1ccc2ncc(I)n2c1)C1CC[NH2+]CC1 ZINC000868008562 654013734 /nfs/dbraw/zinc/01/37/34/654013734.db2.gz FHULJEFJJOZBQR-JTQLQIEISA-N 1 0 398.248 2.057 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H](C)C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000868006963 654013822 /nfs/dbraw/zinc/01/38/22/654013822.db2.gz DDNXAXHEFCGJDN-BZNIZROVSA-N 1 0 382.302 2.131 20 0 GEADRO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)C1CC[NH2+]CC1 ZINC000868009317 654014130 /nfs/dbraw/zinc/01/41/30/654014130.db2.gz CXRZNEOTUZRPCI-ZDUSSCGKSA-N 1 0 385.555 2.041 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Br)ccc1OC(C)C)[C@H]1CC[NH2+]C1 ZINC000887000953 654014178 /nfs/dbraw/zinc/01/41/78/654014178.db2.gz NXNOXGDOPYDXDB-ZDUSSCGKSA-N 1 0 398.301 2.385 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000887007810 654014651 /nfs/dbraw/zinc/01/46/51/654014651.db2.gz SLMNCELODZNBJP-SNVBAGLBSA-N 1 0 379.766 2.388 20 0 GEADRO CC[NH+](CC)CCN(C(=S)Nc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000899451984 654015592 /nfs/dbraw/zinc/01/55/92/654015592.db2.gz UHEGQHVULWSJAX-MRXNPFEDSA-N 1 0 387.546 2.353 20 0 GEADRO COCCC1(NC(=O)COc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000868041243 654015854 /nfs/dbraw/zinc/01/58/54/654015854.db2.gz ZLYQHAUAAIXCQD-UHFFFAOYSA-N 1 0 389.265 2.242 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000887035332 654015940 /nfs/dbraw/zinc/01/59/40/654015940.db2.gz LSRUIVSYMOKFKA-MRVPVSSYSA-N 1 0 396.221 2.302 20 0 GEADRO Cn1ncc(NC(=O)C2C[NH+](C3CCCCC3)C2)c1I ZINC000887065862 654018214 /nfs/dbraw/zinc/01/82/14/654018214.db2.gz WLSWVSJOTSOLPV-UHFFFAOYSA-N 1 0 388.253 2.228 20 0 GEADRO CNC(=O)C1([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000887080658 654019553 /nfs/dbraw/zinc/01/95/53/654019553.db2.gz CJQHTNDZHBSQBB-NSHDSACASA-N 1 0 388.295 2.055 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868156068 654021031 /nfs/dbraw/zinc/02/10/31/654021031.db2.gz UXBFEHYECADZEN-CHWSQXEVSA-N 1 0 391.273 2.388 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(Br)c(Br)c2)CCO1 ZINC000868205187 654023254 /nfs/dbraw/zinc/02/32/54/654023254.db2.gz WTRGNTOADNPDIU-VIFPVBQESA-N 1 0 393.079 2.403 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000868248829 654024928 /nfs/dbraw/zinc/02/49/28/654024928.db2.gz FPUITYHPRRUNBR-GUBZILKMSA-N 1 0 378.420 2.381 20 0 GEADRO O=c1c2cc(I)ccc2ncn1C[C@@H]1CCCC[NH2+]C1 ZINC000899628972 654025303 /nfs/dbraw/zinc/02/53/03/654025303.db2.gz FWEVHKVYTPSJBT-LLVKDONJSA-N 1 0 383.233 2.391 20 0 GEADRO C[NH+](C)CCCNC(=S)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000899636200 654025593 /nfs/dbraw/zinc/02/55/93/654025593.db2.gz YXUZEHORISJLPO-MRXNPFEDSA-N 1 0 382.961 2.360 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cncc(Br)c2)C1 ZINC000849411895 654026575 /nfs/dbraw/zinc/02/65/75/654026575.db2.gz XVBLEJRZBPMZLS-NSHDSACASA-N 1 0 376.320 2.243 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)C1 ZINC000868285437 654027795 /nfs/dbraw/zinc/02/77/95/654027795.db2.gz IXYGKYQBTHVCOV-QMCVQRASSA-N 1 0 394.313 2.107 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3C4CCC3(C[NH3+])CC4)cc2s1 ZINC000868291383 654028397 /nfs/dbraw/zinc/02/83/97/654028397.db2.gz JLDMOOXYRBWQOC-UHFFFAOYSA-N 1 0 376.507 2.439 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1c(F)cccc1Br ZINC000868307121 654029636 /nfs/dbraw/zinc/02/96/36/654029636.db2.gz PACLCGDUDGWOJP-JGPRNRPPSA-N 1 0 384.249 2.174 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1ccc(Br)c(F)c1 ZINC000868306927 654029725 /nfs/dbraw/zinc/02/97/25/654029725.db2.gz HMUNSOPUZPXBKB-JGPRNRPPSA-N 1 0 384.249 2.174 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cnc1Br ZINC000868312032 654030007 /nfs/dbraw/zinc/03/00/07/654030007.db2.gz JHNCABMIZGFCFH-KRWDZBQOSA-N 1 0 397.317 2.315 20 0 GEADRO [NH3+]Cc1cnn(Cc2cn([C@@H]3CCOc4ccc(Br)cc43)nn2)c1 ZINC000899739455 654031309 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CC[NH+]1CCN(CCC(=O)Nc2nc3c(cccc3Br)[nH]2)CC1 ZINC000899818204 654032944 /nfs/dbraw/zinc/03/29/44/654032944.db2.gz NGOPPOXUPZWMLT-UHFFFAOYSA-N 1 0 380.290 2.292 20 0 GEADRO Cn1cc(-c2nc(-c3cn(CCC[NH+]4CCSCC4)nn3)cs2)cn1 ZINC000887405920 654033200 /nfs/dbraw/zinc/03/32/00/654033200.db2.gz SAODMAAGOCRTCV-UHFFFAOYSA-N 1 0 375.527 2.241 20 0 GEADRO O[C@H](C[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(O)CCOCC1 ZINC000899869916 654035092 /nfs/dbraw/zinc/03/50/92/654035092.db2.gz JQBLNVBPEWYUBV-JBLDHEPKSA-N 1 0 379.341 2.388 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C(=O)Nc4c3cccc4Br)CC[C@@H]21 ZINC000828509830 654038911 /nfs/dbraw/zinc/03/89/11/654038911.db2.gz FYWLCBQDNHPQFY-ZLDLUXBVSA-N 1 0 392.297 2.428 20 0 GEADRO CC1=C(Br)CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000797781214 654041659 /nfs/dbraw/zinc/04/16/59/654041659.db2.gz GVOAFQBPJFIOMG-UHFFFAOYSA-N 1 0 379.302 2.348 20 0 GEADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cn1 ZINC000849585883 654046343 /nfs/dbraw/zinc/04/63/43/654046343.db2.gz FLYJYZPYGPJXBS-QSJFSLAZSA-N 1 0 385.339 2.498 20 0 GEADRO CSC1(CNC(=O)NCc2ccc(Br)cn2)CC[NH+](C)CC1 ZINC000868626838 654046773 /nfs/dbraw/zinc/04/67/73/654046773.db2.gz MKBWLXAUUPUUMX-UHFFFAOYSA-N 1 0 387.347 2.471 20 0 GEADRO CN(CCC[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O)C(=O)OC(C)(C)C ZINC000797946799 654047089 /nfs/dbraw/zinc/04/70/89/654047089.db2.gz FVVWJVWGSQYZTA-HNNXBMFYSA-N 1 0 377.551 2.037 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(F)c(Br)cc1F ZINC000868636598 654047356 /nfs/dbraw/zinc/04/73/56/654047356.db2.gz MGNDMLOQOKNJER-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(F)c(Br)cc1F ZINC000868635859 654047424 /nfs/dbraw/zinc/04/74/24/654047424.db2.gz DCUMARJFBMNDSG-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000900056570 654047992 /nfs/dbraw/zinc/04/79/92/654047992.db2.gz ZCNNLLGDPQWROM-ZENOOKHLSA-N 1 0 385.302 2.098 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1nc(Br)sc1C1CC1 ZINC000798161183 654052139 /nfs/dbraw/zinc/05/21/39/654052139.db2.gz LMIDDVRAYNWTPC-UHFFFAOYSA-N 1 0 376.320 2.481 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C[C@H](C)N1CCO ZINC000868722506 654052634 /nfs/dbraw/zinc/05/26/34/654052634.db2.gz QVWWDPIDKRRYKQ-HGBDLFLASA-N 1 0 393.325 2.248 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2COc3cccc(Br)c3C2)C1 ZINC000868750589 654054492 /nfs/dbraw/zinc/05/44/92/654054492.db2.gz RIUJOUIXZPYZFT-RWMBFGLXSA-N 1 0 382.302 2.392 20 0 GEADRO C[NH+](C)CCn1nccc1N1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000900249739 654056129 /nfs/dbraw/zinc/05/61/29/654056129.db2.gz LFHDIHWJMYEUJG-AWEZNQCLSA-N 1 0 392.257 2.005 20 0 GEADRO C[NH+](C)CCn1nccc1N1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000900250872 654056473 /nfs/dbraw/zinc/05/64/73/654056473.db2.gz ZSNISYIOIVUFRV-CQSZACIVSA-N 1 0 392.257 2.005 20 0 GEADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000798252797 654057005 /nfs/dbraw/zinc/05/70/05/654057005.db2.gz COQGWKCQSRYJKH-CQSZACIVSA-N 1 0 377.491 2.106 20 0 GEADRO CC(=O)N[C@H](C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1cccc(Br)c1 ZINC000887921350 654058740 /nfs/dbraw/zinc/05/87/40/654058740.db2.gz DICNFZFDFQYFBC-HFTRVMKXSA-N 1 0 394.313 2.036 20 0 GEADRO C[NH+](C)CCc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000798325004 654058842 /nfs/dbraw/zinc/05/88/42/654058842.db2.gz MPCOVWYVBBFTMG-UHFFFAOYSA-N 1 0 381.885 2.344 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)CC(C)C ZINC000798326623 654059276 /nfs/dbraw/zinc/05/92/76/654059276.db2.gz JGBLCWOIKFRTJG-CQSZACIVSA-N 1 0 389.949 2.474 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000900338773 654059892 /nfs/dbraw/zinc/05/98/92/654059892.db2.gz HPZVJGWXFPMZRQ-RHSMWYFYSA-N 1 0 383.286 2.236 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCCCC[NH3+] ZINC000829225325 654062778 /nfs/dbraw/zinc/06/27/78/654062778.db2.gz FIGYWZUHJUEHAH-UHFFFAOYSA-N 1 0 384.318 2.433 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1nc(Br)ccc1F ZINC000829241866 654063103 /nfs/dbraw/zinc/06/31/03/654063103.db2.gz KCYTWUOMWDRZGJ-UHFFFAOYSA-N 1 0 386.265 2.168 20 0 GEADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cncc(Br)c3)C2)CC1 ZINC000798466008 654064756 /nfs/dbraw/zinc/06/47/56/654064756.db2.gz NWKZWJNNKLBOBP-UHFFFAOYSA-N 1 0 388.331 2.341 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)c1nc(C3CC3)ncc1Br)CC2 ZINC000900473992 654066285 /nfs/dbraw/zinc/06/62/85/654066285.db2.gz XTNDYSQKGWKTGY-GFCCVEGCSA-N 1 0 395.301 2.087 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000829455388 654068169 /nfs/dbraw/zinc/06/81/69/654068169.db2.gz RKJXYJOZMDXGQD-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO CC(C)[NH+](Cc1cn(Cc2cc(Cl)cc(S(N)(=O)=O)c2)nn1)C(C)C ZINC000900557771 654069809 /nfs/dbraw/zinc/06/98/09/654069809.db2.gz GBXJQEAGHCUNOV-UHFFFAOYSA-N 1 0 385.921 2.246 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(Br)cn2)C1 ZINC000869117890 654070188 /nfs/dbraw/zinc/07/01/88/654070188.db2.gz PNSLAUMVGZAQMN-OAHLLOKOSA-N 1 0 385.306 2.000 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850350757 654072504 /nfs/dbraw/zinc/07/25/04/654072504.db2.gz HIAODBPRKMFTMW-ZIAGYGMSSA-N 1 0 388.965 2.167 20 0 GEADRO Cc1cccc(Cn2cc(CCN3CCC([NH3+])CC3)nn2)c1Br ZINC000900608133 654072622 /nfs/dbraw/zinc/07/26/22/654072622.db2.gz SCHLTYJPXZNYIG-UHFFFAOYSA-N 1 0 378.318 2.363 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]1Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000900631725 654073637 /nfs/dbraw/zinc/07/36/37/654073637.db2.gz BQJQMCIDUKEHTK-LNSITVRQSA-N 1 0 379.258 2.288 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCOC1(C)C ZINC000850408618 654076075 /nfs/dbraw/zinc/07/60/75/654076075.db2.gz QTSSKOGRKNHRJQ-CHWSQXEVSA-N 1 0 375.922 2.109 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000900679930 654076151 /nfs/dbraw/zinc/07/61/51/654076151.db2.gz BXKLDYVVJFISRA-INIZCTEOSA-N 1 0 385.302 2.052 20 0 GEADRO CCn1c(Br)ncc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000900685200 654076486 /nfs/dbraw/zinc/07/64/86/654076486.db2.gz OLILYSPHKMOSIN-ZDUSSCGKSA-N 1 0 385.306 2.039 20 0 GEADRO CS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850431333 654076685 /nfs/dbraw/zinc/07/66/85/654076685.db2.gz BIJGMCKBXGRBSQ-AWEZNQCLSA-N 1 0 378.416 2.047 20 0 GEADRO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850431335 654076752 /nfs/dbraw/zinc/07/67/52/654076752.db2.gz BIJGMCKBXGRBSQ-CQSZACIVSA-N 1 0 378.416 2.047 20 0 GEADRO C/C=C\[C@@H](O)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000900756361 654079014 /nfs/dbraw/zinc/07/90/14/654079014.db2.gz DHOHJKPSLQUZRL-BAHPRDJBSA-N 1 0 397.313 2.346 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000850505614 654079926 /nfs/dbraw/zinc/07/99/26/654079926.db2.gz UDFXNBQIMZBFGG-NSHDSACASA-N 1 0 383.290 2.019 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cnc1Br ZINC000850505307 654080183 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379.492 2.393 20 0 GEADRO C[C@@H]([NH2+]CC1SCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000850561215 654083266 /nfs/dbraw/zinc/08/32/66/654083266.db2.gz RGLUCJCPRDPYGZ-CYBMUJFWSA-N 1 0 388.580 2.164 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000850587820 654083891 /nfs/dbraw/zinc/08/38/91/654083891.db2.gz LAZIZMLVAPAHIU-UHFFFAOYSA-N 1 0 391.306 2.494 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2ncc(Br)cn2n1 ZINC000900858232 654084450 /nfs/dbraw/zinc/08/44/50/654084450.db2.gz OFRGKBNCNQABSO-CYBMUJFWSA-N 1 0 380.290 2.438 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000900883458 654085642 /nfs/dbraw/zinc/08/56/42/654085642.db2.gz ZVVRBSHFVAEGNM-GFCCVEGCSA-N 1 0 380.290 2.296 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(C)cnc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000850607043 654086339 /nfs/dbraw/zinc/08/63/39/654086339.db2.gz OPALWBBSWMRWMQ-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(C)cc(Br)n1)[C@H]1CC[N@H+](CC)C1 ZINC000850606605 654086416 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397.313 2.193 20 0 GEADRO C[C@@H](CCNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000917236832 654117392 /nfs/dbraw/zinc/11/73/92/654117392.db2.gz FBDMRHWJLVVDIF-RULNZOCKSA-N 1 0 387.449 2.208 20 0 GEADRO CC(F)(F)CCCS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000917236915 654117525 /nfs/dbraw/zinc/11/75/25/654117525.db2.gz GNQZGWFCEKSIFE-INIZCTEOSA-N 1 0 376.469 2.108 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cnc(Cl)c(Br)c1 ZINC000830433637 654117752 /nfs/dbraw/zinc/11/77/52/654117752.db2.gz DGBUMPVUPMQLJJ-SNVBAGLBSA-N 1 0 394.722 2.260 20 0 GEADRO C[N@@H+]1CCCC12CCN(C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000901306380 654119782 /nfs/dbraw/zinc/11/97/82/654119782.db2.gz VRSUDAKRVGVRAK-UHFFFAOYSA-N 1 0 385.295 2.205 20 0 GEADRO C[N@H+](C[C@H](O)CNC(=O)OC(C)(C)C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000830462582 654119899 /nfs/dbraw/zinc/11/98/99/654119899.db2.gz YWWNAXMBFCXNCW-DOMZBBRYSA-N 1 0 376.856 2.330 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000889041543 654121612 /nfs/dbraw/zinc/12/16/12/654121612.db2.gz HKSKDEZKFYEZML-LBPRGKRZSA-N 1 0 380.290 2.384 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(Br)c2F)C1 ZINC000869777297 654122629 /nfs/dbraw/zinc/12/26/29/654122629.db2.gz MARINHLIBCLDHG-VIFPVBQESA-N 1 0 377.229 2.302 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000830529502 654124338 /nfs/dbraw/zinc/12/43/38/654124338.db2.gz KEWQEMNUBYZKJG-JTQLQIEISA-N 1 0 396.738 2.460 20 0 GEADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCC[NH+]1CCCCC1 ZINC000800111786 654130110 /nfs/dbraw/zinc/13/01/10/654130110.db2.gz ZKJWDMDWVVFSOX-AWEZNQCLSA-N 1 0 388.917 2.426 20 0 GEADRO CC[NH+](CC)CCCOC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000800136131 654131961 /nfs/dbraw/zinc/13/19/61/654131961.db2.gz LPFLNSFWEMACCS-UHFFFAOYSA-N 1 0 392.315 2.498 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)Oc1cc(CO)cc(C(F)(F)F)c1 ZINC000917726006 654132385 /nfs/dbraw/zinc/13/23/85/654132385.db2.gz OCQKRIXYLKZZRB-HNNXBMFYSA-N 1 0 379.400 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GEADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)c1c[nH]nc1Cl ZINC000830869624 654148281 /nfs/dbraw/zinc/14/82/81/654148281.db2.gz ZUMQVXJETTWEKN-STQMWFEESA-N 1 0 382.917 2.498 20 0 GEADRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccc4nc(Cl)cnc4c3)C[C@]2(C)C1 ZINC000918359468 654149411 /nfs/dbraw/zinc/14/94/11/654149411.db2.gz BEVSMQNJVGBSQR-IRXDYDNUSA-N 1 0 380.901 2.246 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000918395616 654150615 /nfs/dbraw/zinc/15/06/15/654150615.db2.gz RFTAPXFJFVMXKE-CYBMUJFWSA-N 1 0 387.933 2.241 20 0 GEADRO O=C(CN1CC[C@@H]2COC(=O)N[C@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000830939788 654150668 /nfs/dbraw/zinc/15/06/68/654150668.db2.gz DZIMPSXLMKTQHN-OCCSQVGLSA-N 1 0 386.279 2.082 20 0 GEADRO Cn1nc(C(F)(F)F)cc1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000831027337 654156757 /nfs/dbraw/zinc/15/67/57/654156757.db2.gz GEULMVOQBOTUQD-LBPRGKRZSA-N 1 0 376.448 2.273 20 0 GEADRO Cn1ncc(I)c1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000831083642 654162493 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O=C(c1ccc(Br)c(F)c1F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889742723 654165746 /nfs/dbraw/zinc/16/57/46/654165746.db2.gz BCGMTPGSMBWUJY-QWHCGFSZSA-N 1 0 389.240 2.399 20 0 GEADRO COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889744817 654165759 /nfs/dbraw/zinc/16/57/59/654165759.db2.gz PLRKWVDNLRUZGO-GJZGRUSLSA-N 1 0 383.286 2.129 20 0 GEADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000918962326 654166762 /nfs/dbraw/zinc/16/67/62/654166762.db2.gz KUSHPAJSCPLKHR-KRWDZBQOSA-N 1 0 388.917 2.010 20 0 GEADRO C[C@@H]1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)[C@H](C[NH3+])C1 ZINC000851646764 654167583 /nfs/dbraw/zinc/16/75/83/654167583.db2.gz KPVAHQULUBMTHF-OCCSQVGLSA-N 1 0 385.917 2.079 20 0 GEADRO O=C(c1nc(Br)sc1Cl)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889750984 654167772 /nfs/dbraw/zinc/16/77/72/654167772.db2.gz RGKLSRVAEWDSMU-RKDXNWHRSA-N 1 0 394.722 2.230 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851662211 654168201 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COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)s1 ZINC000831569554 654191837 /nfs/dbraw/zinc/19/18/37/654191837.db2.gz BXLZGSNHALCYKI-GHMZBOCLSA-N 1 0 376.400 2.377 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000851852126 654191949 /nfs/dbraw/zinc/19/19/49/654191949.db2.gz JKYTUZAFDXWNEL-UKRRQHHQSA-N 1 0 378.793 2.215 20 0 GEADRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCn1cnc(Br)n1 ZINC000851865622 654194612 /nfs/dbraw/zinc/19/46/12/654194612.db2.gz WBZAOUOVKMMJRZ-NWDGAFQWSA-N 1 0 388.310 2.276 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000890064080 654195654 /nfs/dbraw/zinc/19/56/54/654195654.db2.gz QDQBJMULNYMVRY-LLVKDONJSA-N 1 0 376.320 2.109 20 0 GEADRO Cn1c(SCC(=O)NCC[N@@H+]2CCC(C)(C)C2)nnc1-c1cccs1 ZINC000890078830 654196025 /nfs/dbraw/zinc/19/60/25/654196025.db2.gz NKRFRUMKQFCZHH-UHFFFAOYSA-N 1 0 379.555 2.484 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1 ZINC000851887711 654200321 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C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1cccc(NS(C)(=O)=O)c1 ZINC000851921488 654206189 /nfs/dbraw/zinc/20/61/89/654206189.db2.gz SLIWWOVQACADDK-NSHDSACASA-N 1 0 382.873 2.396 20 0 GEADRO CCCn1cc([C@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)nn1 ZINC000902978379 654206497 /nfs/dbraw/zinc/20/64/97/654206497.db2.gz DKZSDGSAEHEAHV-ZDUSSCGKSA-N 1 0 385.921 2.361 20 0 GEADRO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(Br)nn3C)C2)c1 ZINC000870911645 654207391 /nfs/dbraw/zinc/20/73/91/654207391.db2.gz WOORNIZFIRGCHL-CQSZACIVSA-N 1 0 377.286 2.495 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1c(F)cccc1Cl)C2 ZINC000920273895 654207797 /nfs/dbraw/zinc/20/77/97/654207797.db2.gz LCABRBFIGUCAJQ-SRABZTEZSA-N 1 0 390.908 2.237 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)Cc1ccccc1Cl)C2 ZINC000920275005 654208008 /nfs/dbraw/zinc/20/80/08/654208008.db2.gz PXZOOUVFRFQJGZ-TVFCKZIOSA-N 1 0 386.945 2.239 20 0 GEADRO CCS(=O)(=O)NC1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000903004242 654208519 /nfs/dbraw/zinc/20/85/19/654208519.db2.gz FAMXUUPNAOYMGH-HNNXBMFYSA-N 1 0 380.432 2.143 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1Cl ZINC000920281530 654208618 /nfs/dbraw/zinc/20/86/18/654208618.db2.gz CZUVQJRDKCDMOE-TVFCKZIOSA-N 1 0 386.945 2.406 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C2 ZINC000920282595 654209087 /nfs/dbraw/zinc/20/90/87/654209087.db2.gz RUEFGZQTXGWCHU-SRABZTEZSA-N 1 0 390.908 2.237 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(Cl)c1 ZINC000920281870 654209129 /nfs/dbraw/zinc/20/91/29/654209129.db2.gz IGKCXPOTFMVSEI-AHCXZYCDSA-N 1 0 386.945 2.406 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1I ZINC000870936555 654209158 /nfs/dbraw/zinc/20/91/58/654209158.db2.gz MHCGBTHQENCJQB-GHMZBOCLSA-N 1 0 390.269 2.268 20 0 GEADRO C[NH+]1CCC(NC(=S)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000920389577 654211452 /nfs/dbraw/zinc/21/14/52/654211452.db2.gz OWWDTUWENJMISE-GFCCVEGCSA-N 1 0 392.352 2.291 20 0 GEADRO Brc1ncn(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000851999503 654211593 /nfs/dbraw/zinc/21/15/93/654211593.db2.gz MHXPQHOYCUWYAV-IYBDPMFKSA-N 1 0 376.302 2.104 20 0 GEADRO C[NH+]1CCC(n2ccc(NC(=O)c3nn4c(c3Br)CCC4)n2)CC1 ZINC000890281021 654212018 /nfs/dbraw/zinc/21/20/18/654212018.db2.gz URWJZKUTZJAVAC-UHFFFAOYSA-N 1 0 393.289 2.307 20 0 GEADRO COc1cc(I)ccc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000870945180 654212029 /nfs/dbraw/zinc/21/20/29/654212029.db2.gz PBWYLPDMUXSFCK-LLVKDONJSA-N 1 0 396.175 2.027 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1I ZINC000870945613 654212417 /nfs/dbraw/zinc/21/24/17/654212417.db2.gz LSJSFTVMYIVZPY-GHMZBOCLSA-N 1 0 390.269 2.126 20 0 GEADRO COc1cc(I)ccc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000870945572 654212439 /nfs/dbraw/zinc/21/24/39/654212439.db2.gz VLGYNCPCVCTKLV-VIFPVBQESA-N 1 0 384.164 2.012 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc(F)c3Br)C2)C1 ZINC000890297232 654213137 /nfs/dbraw/zinc/21/31/37/654213137.db2.gz LBHVFWSADFLDMX-INIZCTEOSA-N 1 0 384.249 2.081 20 0 GEADRO CCO[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C[C@H]1C[NH3+] ZINC000870949324 654213940 /nfs/dbraw/zinc/21/39/40/654213940.db2.gz ALLSTYZGHPTNPW-OFGYBXGMSA-N 1 0 379.298 2.157 20 0 GEADRO COC(=O)C(C)(C)n1cc(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)cn1 ZINC000870956389 654214369 /nfs/dbraw/zinc/21/43/69/654214369.db2.gz UDHNHRZHZKDTFK-ZDUSSCGKSA-N 1 0 395.257 2.192 20 0 GEADRO CC(C)n1ncc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1I ZINC000870959473 654214453 /nfs/dbraw/zinc/21/44/53/654214453.db2.gz IKJSBTFVWDLWHD-IINYFYTJSA-N 1 0 388.253 2.022 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH2+]CC1 ZINC000870986678 654215151 /nfs/dbraw/zinc/21/51/51/654215151.db2.gz NHHOUSKHZMKQIR-LRDDRELGSA-N 1 0 394.313 2.306 20 0 GEADRO O=C(c1cc(Br)n[nH]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000831881684 654215373 /nfs/dbraw/zinc/21/53/73/654215373.db2.gz GCRMOFMTFRRZAK-UHFFFAOYSA-N 1 0 385.306 2.137 20 0 GEADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2COc3cccc(Br)c3C2)C1(C)C ZINC000871008447 654215776 /nfs/dbraw/zinc/21/57/76/654215776.db2.gz UKEUCFZSQSJFPK-POHZPAGDSA-N 1 0 397.313 2.401 20 0 GEADRO Cc1ccc([C@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[NH+](C)C)cc1 ZINC000852059930 654215821 /nfs/dbraw/zinc/21/58/21/654215821.db2.gz PNZCKNHIXDRHQR-HWRSSNJWSA-N 1 0 379.448 2.208 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000903089343 654215885 /nfs/dbraw/zinc/21/58/85/654215885.db2.gz SIWHFERGSLDJIZ-UHFFFAOYSA-N 1 0 386.543 2.367 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000852067311 654216475 /nfs/dbraw/zinc/21/64/75/654216475.db2.gz XKZMWAWTCOAIGE-YWPYICTPSA-N 1 0 388.295 2.189 20 0 GEADRO C[N@H+](C[C@H](O)CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C1CC1 ZINC000852337048 654233543 /nfs/dbraw/zinc/23/35/43/654233543.db2.gz IQKYCEMMZGTMNS-XQQFMLRXSA-N 1 0 396.167 2.269 20 0 GEADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903113063 654217433 /nfs/dbraw/zinc/21/74/33/654217433.db2.gz LQBVIUPVFPUIGR-MNOVXSKESA-N 1 0 387.445 2.454 20 0 GEADRO Cn1cc(Br)cc1-c1nnc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)n1C ZINC000871045015 654217561 /nfs/dbraw/zinc/21/75/61/654217561.db2.gz DFCXPSINLMBSOP-WCQYABFASA-N 1 0 379.306 2.114 20 0 GEADRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903128217 654219204 /nfs/dbraw/zinc/21/92/04/654219204.db2.gz UCFSZTLBILHMMF-LBPRGKRZSA-N 1 0 381.416 2.420 20 0 GEADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1)C(=O)N(C)C ZINC000920762397 654220730 /nfs/dbraw/zinc/22/07/30/654220730.db2.gz UYVXCXSRLFMAHE-BBRMVZONSA-N 1 0 396.329 2.049 20 0 GEADRO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920760863 654220795 /nfs/dbraw/zinc/22/07/95/654220795.db2.gz HARBWAUJBPNFJQ-OAHLLOKOSA-N 1 0 383.286 2.135 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CCC1(C)C ZINC000871151888 654222111 /nfs/dbraw/zinc/22/21/11/654222111.db2.gz FGBNECBJPPJSRR-UHFFFAOYSA-N 1 0 385.555 2.089 20 0 GEADRO CSC1CCC(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000920815302 654224157 /nfs/dbraw/zinc/22/41/57/654224157.db2.gz MFGQVPDFEQKGIP-UHFFFAOYSA-N 1 0 388.603 2.262 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCO[C@]23CCOC3)cc1Br ZINC000903187173 654224845 /nfs/dbraw/zinc/22/48/45/654224845.db2.gz RHBHIZVKSQYNST-JQHSSLGASA-N 1 0 384.314 2.446 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCO[C@@]23CCOC3)cc1Br ZINC000903187172 654224918 /nfs/dbraw/zinc/22/49/18/654224918.db2.gz RHBHIZVKSQYNST-CGTJXYLNSA-N 1 0 384.314 2.446 20 0 GEADRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1cn(C)nc1Br ZINC000903189439 654225298 /nfs/dbraw/zinc/22/52/98/654225298.db2.gz WLXFUFXDRSQLEX-CYBMUJFWSA-N 1 0 379.302 2.410 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C2CCN(c3nccs3)CC2)CCC1 ZINC000903188216 654225412 /nfs/dbraw/zinc/22/54/12/654225412.db2.gz BJODAXHZZLUVMG-UHFFFAOYSA-N 1 0 386.587 2.342 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903224550 654228044 /nfs/dbraw/zinc/22/80/44/654228044.db2.gz YENOGSLYGFLLEO-OPQSFPLASA-N 1 0 379.400 2.435 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903225973 654228529 /nfs/dbraw/zinc/22/85/29/654228529.db2.gz JASKXNOIUCBHRB-IINYFYTJSA-N 1 0 377.388 2.098 20 0 GEADRO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903224553 654228563 /nfs/dbraw/zinc/22/85/63/654228563.db2.gz YENOGSLYGFLLEO-ZGFBFQLVSA-N 1 0 379.400 2.435 20 0 GEADRO Cn1ncc(I)c1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871361184 654228720 /nfs/dbraw/zinc/22/87/20/654228720.db2.gz UPEWULDIJQFHBJ-UHFFFAOYSA-N 1 0 390.269 2.017 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852334787 654233205 /nfs/dbraw/zinc/23/32/05/654233205.db2.gz AEHDCURAVUSLJS-TUAOUCFPSA-N 1 0 384.156 2.127 20 0 GEADRO Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000903327307 654234803 /nfs/dbraw/zinc/23/48/03/654234803.db2.gz ZPZUKANYUQYZCB-OLZOCXBDSA-N 1 0 376.258 2.108 20 0 GEADRO CO[C@]1(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CCS(=O)(=O)C1 ZINC000903363388 654235356 /nfs/dbraw/zinc/23/53/56/654235356.db2.gz NTFXYGQZUZAATP-SQNIBIBYSA-N 1 0 387.929 2.223 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852356096 654235362 /nfs/dbraw/zinc/23/53/62/654235362.db2.gz UFXZYPBVUGAFLZ-HNNXBMFYSA-N 1 0 376.284 2.048 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CCS(=O)(=O)C1 ZINC000903364760 654235634 /nfs/dbraw/zinc/23/56/34/654235634.db2.gz BIZUEDIHPVRHOO-IINYFYTJSA-N 1 0 380.279 2.443 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)CCS(=O)(=O)C1 ZINC000903366634 654236309 /nfs/dbraw/zinc/23/63/09/654236309.db2.gz FAXHXCPMRYNJON-NHYWBVRUSA-N 1 0 394.306 2.313 20 0 GEADRO CO[C@@]1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCS(=O)(=O)C1 ZINC000903367118 654236663 /nfs/dbraw/zinc/23/66/63/654236663.db2.gz XPAPIHCWNZXHNO-LSDHHAIUSA-N 1 0 378.416 2.271 20 0 GEADRO CO[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903369088 654237170 /nfs/dbraw/zinc/23/71/70/654237170.db2.gz SLABYTNYIGGGQG-CXAGYDPISA-N 1 0 388.917 2.159 20 0 GEADRO Cn1cc(S(=O)(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)nc1Cl ZINC000832124810 654237508 /nfs/dbraw/zinc/23/75/08/654237508.db2.gz PIUGMDVHATZBAO-UHFFFAOYSA-N 1 0 382.917 2.407 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ncc(Br)cc1F ZINC000903394256 654237633 /nfs/dbraw/zinc/23/76/33/654237633.db2.gz BUQAKLMMYAJFIV-MWLCHTKSSA-N 1 0 382.237 2.408 20 0 GEADRO C[NH+](C)CCOC1CCN(CN2Cc3c(cccc3Br)C2=O)CC1 ZINC000802732490 654238145 /nfs/dbraw/zinc/23/81/45/654238145.db2.gz MKYUDILEPCWPEI-UHFFFAOYSA-N 1 0 396.329 2.405 20 0 GEADRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000852431257 654238471 /nfs/dbraw/zinc/23/84/71/654238471.db2.gz QYIDPDCKMXBNPX-QWHCGFSZSA-N 1 0 375.252 2.260 20 0 GEADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]C3CCC(O)(C(F)(F)F)CC3)C2)c1Cl ZINC000903436302 654238952 /nfs/dbraw/zinc/23/89/52/654238952.db2.gz VUHGCSHBANADPO-XIRUVYRFSA-N 1 0 380.798 2.240 20 0 GEADRO C[C@@H]1CN(CN2Cc3ccc(Br)cc3C2=O)CC[N@@H+]1CC(C)(C)O ZINC000802738961 654239006 /nfs/dbraw/zinc/23/90/06/654239006.db2.gz QWUDFWNSRDWYTH-CYBMUJFWSA-N 1 0 396.329 2.139 20 0 GEADRO C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccccc1I ZINC000903432125 654239072 /nfs/dbraw/zinc/23/90/72/654239072.db2.gz HUVMNPIWADPGBP-NSHDSACASA-N 1 0 399.232 2.294 20 0 GEADRO C[C@H]1CN(CN2Cc3c(cccc3Br)C2=O)CC[N@@H+]1CC(C)(C)O ZINC000802739542 654239487 /nfs/dbraw/zinc/23/94/87/654239487.db2.gz VOLFJBJMTGZOCP-ZDUSSCGKSA-N 1 0 396.329 2.139 20 0 GEADRO CCN(CC)c1ncc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)s1 ZINC000921198341 654239846 /nfs/dbraw/zinc/23/98/46/654239846.db2.gz HBEAPQFSDSKAKO-UHFFFAOYSA-N 1 0 382.555 2.199 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cn1)CCS2(=O)=O ZINC000903452962 654240010 /nfs/dbraw/zinc/24/00/10/654240010.db2.gz RPKPVVOPABABBP-DXMOGKONSA-N 1 0 386.901 2.285 20 0 GEADRO O=C(CN[C@H]1CC[NH2+]C12CCC2)Nc1cccc(I)c1 ZINC000903465929 654240342 /nfs/dbraw/zinc/24/03/42/654240342.db2.gz NOWGPAVDEQOODZ-ZDUSSCGKSA-N 1 0 385.249 2.104 20 0 GEADRO Brc1ccccc1-n1nnnc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903484813 654240698 /nfs/dbraw/zinc/24/06/98/654240698.db2.gz WCKAAIGTVSYQPD-CQSZACIVSA-N 1 0 377.290 2.189 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@](C)(C[NH3+])C(C)C)c1F ZINC000903492013 654241093 /nfs/dbraw/zinc/24/10/93/654241093.db2.gz ALKBTQGFIGBSOW-CYBMUJFWSA-N 1 0 383.283 2.249 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903499470 654242056 /nfs/dbraw/zinc/24/20/56/654242056.db2.gz JUHUXXYXPFAAJM-GWCFXTLKSA-N 1 0 384.299 2.303 20 0 GEADRO CC[NH+]1CCC(NC(=O)COc2cc(Br)c(C=O)cc2OC)CC1 ZINC000921263164 654242138 /nfs/dbraw/zinc/24/21/38/654242138.db2.gz PDIUYOZIWBCKBD-UHFFFAOYSA-N 1 0 399.285 2.250 20 0 GEADRO O=C(N(CCn1ccnc1)Cc1ccccc1Br)[C@@]1(F)CC[NH2+]C1 ZINC000832182343 654243423 /nfs/dbraw/zinc/24/34/23/654243423.db2.gz JHNFQUSXGQSTRA-QGZVFWFLSA-N 1 0 395.276 2.376 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c1F ZINC000903513164 654244403 /nfs/dbraw/zinc/24/44/03/654244403.db2.gz VLRMCSAZMUPEFC-SECBINFHSA-N 1 0 381.267 2.017 20 0 GEADRO COC(=O)[C@@H](c1ccccc1Br)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903513198 654244471 /nfs/dbraw/zinc/24/44/71/654244471.db2.gz XGAZZLUYHQPTFC-YUSALJHKSA-N 1 0 381.192 2.485 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000832192981 654244448 /nfs/dbraw/zinc/24/44/48/654244448.db2.gz XOBPPSRBGOBUDP-XHSDSOJGSA-N 1 0 395.297 2.292 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000832192980 654244529 /nfs/dbraw/zinc/24/45/29/654244529.db2.gz XOBPPSRBGOBUDP-ARFHVFGLSA-N 1 0 395.297 2.292 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1csc(I)n1 ZINC000890880740 654246639 /nfs/dbraw/zinc/24/66/39/654246639.db2.gz FRXBWLMPGKBALX-UHFFFAOYSA-N 1 0 381.283 2.408 20 0 GEADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000903518808 654246848 /nfs/dbraw/zinc/24/68/48/654246848.db2.gz RYXNWMNGFLGSQJ-LLVKDONJSA-N 1 0 379.295 2.479 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c1F ZINC000903518456 654246886 /nfs/dbraw/zinc/24/68/86/654246886.db2.gz OGTFKAOUPRPRPO-UHFFFAOYSA-N 1 0 395.294 2.265 20 0 GEADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)Cc1cccc(F)c1Br)C2 ZINC000903518551 654246893 /nfs/dbraw/zinc/24/68/93/654246893.db2.gz UAKNUQMXPQVKQH-UHFFFAOYSA-N 1 0 377.279 2.278 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c1F ZINC000903518975 654247262 /nfs/dbraw/zinc/24/72/62/654247262.db2.gz TUZQCRSTUOSIRB-CQSZACIVSA-N 1 0 395.294 2.265 20 0 GEADRO CN1CCN(C[C@@](C)(O)c2ccc(Br)cc2Cl)CCC1=O ZINC000852578002 654248137 /nfs/dbraw/zinc/24/81/37/654248137.db2.gz NVKWXPOHLPPQIZ-OAHLLOKOSA-N 1 0 375.694 2.474 20 0 GEADRO COC(=O)N(C)CCN(C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000852574048 654248211 /nfs/dbraw/zinc/24/82/11/654248211.db2.gz ZAHBYJJKMSUEBK-GFCCVEGCSA-N 1 0 386.290 2.256 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1F ZINC000903522546 654248604 /nfs/dbraw/zinc/24/86/04/654248604.db2.gz RDCZMJPVGFPYIJ-RKDXNWHRSA-N 1 0 381.267 2.003 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903522774 654248637 /nfs/dbraw/zinc/24/86/37/654248637.db2.gz RYIYBUIYPJOELE-AWEZNQCLSA-N 1 0 377.279 2.246 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c1F ZINC000903525150 654249538 /nfs/dbraw/zinc/24/95/38/654249538.db2.gz AUBZEBIHJWHWHG-VIFPVBQESA-N 1 0 395.294 2.263 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2c(Br)ccc(OC)c2F)CC1 ZINC000903526149 654249843 /nfs/dbraw/zinc/24/98/43/654249843.db2.gz AIVPZAMXHJHKPC-UHFFFAOYSA-N 1 0 395.294 2.489 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000903528818 654250157 /nfs/dbraw/zinc/25/01/57/654250157.db2.gz XTDLQSTZJMUDNC-VHDGCEQUSA-N 1 0 388.917 2.174 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)NCC2([NH3+])CC2)cc1Br ZINC000903527860 654250174 /nfs/dbraw/zinc/25/01/74/654250174.db2.gz YBHDJTLKQCWPKR-UHFFFAOYSA-N 1 0 398.120 2.290 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903532345 654250750 /nfs/dbraw/zinc/25/07/50/654250750.db2.gz YXAVVMSJHLQQGX-UHFFFAOYSA-N 1 0 382.917 2.063 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903546212 654253274 /nfs/dbraw/zinc/25/32/74/654253274.db2.gz JJAHHFPGIXCRLL-LBPRGKRZSA-N 1 0 380.436 2.111 20 0 GEADRO O=C(NCC[NH+]1CCC1)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000890973905 654254685 /nfs/dbraw/zinc/25/46/85/654254685.db2.gz ZJPDERUJAGEFPM-UHFFFAOYSA-N 1 0 378.274 2.140 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903555930 654254986 /nfs/dbraw/zinc/25/49/86/654254986.db2.gz GYIVKPTZNBKSIH-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO Cn1ncc(S(=O)(=O)NCCCCCC2CC[NH2+]CC2)c1C(F)(F)F ZINC000903560870 654255977 /nfs/dbraw/zinc/25/59/77/654255977.db2.gz CAZVMZXRZMYFCC-UHFFFAOYSA-N 1 0 382.452 2.277 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1Cl ZINC000903563829 654257132 /nfs/dbraw/zinc/25/71/32/654257132.db2.gz ITGQDZIFSCOWDB-PPKCKEKNSA-N 1 0 395.706 2.282 20 0 GEADRO [NH3+]C1CCN(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000903567674 654257501 /nfs/dbraw/zinc/25/75/01/654257501.db2.gz FAIRQYATPQBEBT-UHFFFAOYSA-N 1 0 385.839 2.060 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@H]1C(F)(F)F ZINC000903569397 654257547 /nfs/dbraw/zinc/25/75/47/654257547.db2.gz BROWRVYHYNPDQQ-VXNVDRBHSA-N 1 0 391.184 2.098 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@H]1C(F)(F)F ZINC000903570511 654257625 /nfs/dbraw/zinc/25/76/25/654257625.db2.gz MVNSGDQWMUPQBA-GHMZBOCLSA-N 1 0 377.413 2.320 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@H]1C(F)(F)F ZINC000903570635 654257834 /nfs/dbraw/zinc/25/78/34/654257834.db2.gz USBRZHGUTBAWCV-GMSGAONNSA-N 1 0 391.184 2.098 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000832298896 654258116 /nfs/dbraw/zinc/25/81/16/654258116.db2.gz UUBSTYKCPQVQMS-UHFFFAOYSA-N 1 0 389.949 2.441 20 0 GEADRO CSC1(CNC(=O)c2nn3c(c2Br)CCC3)CC[NH+](C)CC1 ZINC000891020735 654258378 /nfs/dbraw/zinc/25/83/78/654258378.db2.gz XFDDXQMHXMLVEX-UHFFFAOYSA-N 1 0 387.347 2.149 20 0 GEADRO O=S(=O)(CCc1cccs1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903573189 654258721 /nfs/dbraw/zinc/25/87/21/654258721.db2.gz GSIAOKQROUIWMY-SJLPKXTDSA-N 1 0 378.519 2.466 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000903577496 654260049 /nfs/dbraw/zinc/26/00/49/654260049.db2.gz NKQURIPEDZOYKK-NSHDSACASA-N 1 0 377.869 2.200 20 0 GEADRO Cc1ccc(NC(=O)[C@H]2[NH2+]CC23CCOCC3)cc1I ZINC000852783928 654260363 /nfs/dbraw/zinc/26/03/63/654260363.db2.gz YSSMGIAHGBKFKP-CYBMUJFWSA-N 1 0 386.233 2.307 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000903578049 654260429 /nfs/dbraw/zinc/26/04/29/654260429.db2.gz AYZAMRINAZWWER-ZYHUDNBSSA-N 1 0 399.822 2.199 20 0 GEADRO CC(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903577986 654260505 /nfs/dbraw/zinc/26/05/05/654260505.db2.gz AHBLXRDLLLFATC-KBPBESRZSA-N 1 0 378.416 2.426 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC000852799324 654260693 /nfs/dbraw/zinc/26/06/93/654260693.db2.gz RMXXHGRHFWEKLM-GFCCVEGCSA-N 1 0 396.232 2.040 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000871803873 654260909 /nfs/dbraw/zinc/26/09/09/654260909.db2.gz VZOJUVCZFLFYSK-GFCCVEGCSA-N 1 0 385.917 2.235 20 0 GEADRO Cc1nc(Br)sc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000832356902 654261347 /nfs/dbraw/zinc/26/13/47/654261347.db2.gz LTCREHHEAMCXKH-UHFFFAOYSA-N 1 0 389.363 2.360 20 0 GEADRO CCOc1ccc(Br)cc1CN(C(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852835580 654262648 /nfs/dbraw/zinc/26/26/48/654262648.db2.gz IWAXFPONWRFLQK-AWEZNQCLSA-N 1 0 396.285 2.442 20 0 GEADRO CC[NH2+]CCCNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000832378468 654262713 /nfs/dbraw/zinc/26/27/13/654262713.db2.gz RTNMYSBPQQCQFQ-UHFFFAOYSA-N 1 0 375.922 2.098 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)C(F)(F)c3ccc(Br)cc3)C[C@H]2[NH3+])cn1 ZINC000852836272 654262736 /nfs/dbraw/zinc/26/27/36/654262736.db2.gz RLRXTZYYORJXKK-UONOGXRCSA-N 1 0 399.239 2.228 20 0 GEADRO CCO[C@@H]1CN(C(=O)C(F)(F)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000852836258 654262872 /nfs/dbraw/zinc/26/28/72/654262872.db2.gz ZVSBNRGFYAWBKR-ZWNOBZJWSA-N 1 0 377.229 2.363 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1F ZINC000903584108 654263087 /nfs/dbraw/zinc/26/30/87/654263087.db2.gz HYDZGICDGPVDBS-OTYXRUKQSA-N 1 0 393.278 2.099 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)Cc1cccc(F)c1Br ZINC000903584115 654263193 /nfs/dbraw/zinc/26/31/93/654263193.db2.gz IAEBRKOBFIVTLH-BXUZGUMPSA-N 1 0 377.279 2.231 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c1F ZINC000903584107 654263284 /nfs/dbraw/zinc/26/32/84/654263284.db2.gz HYDZGICDGPVDBS-LKFCYVNXSA-N 1 0 393.278 2.099 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1Cl ZINC000832405394 654263706 /nfs/dbraw/zinc/26/37/06/654263706.db2.gz HDQWECZOMYQOTL-FGWVZKOKSA-N 1 0 390.864 2.169 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903587946 654264031 /nfs/dbraw/zinc/26/40/31/654264031.db2.gz CIZHFOXAFZVQDB-APPDUMDISA-N 1 0 381.885 2.399 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000852866675 654264311 /nfs/dbraw/zinc/26/43/11/654264311.db2.gz JWLJTAHDZDNAMH-CQSZACIVSA-N 1 0 380.539 2.418 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)c2ccc(C3SCCCS3)cc2)n1 ZINC000852871928 654264415 /nfs/dbraw/zinc/26/44/15/654264415.db2.gz FIGRRTIEKXOCOE-UHFFFAOYSA-N 1 0 376.507 2.440 20 0 GEADRO N[C@@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccccc1Br ZINC000852875586 654264916 /nfs/dbraw/zinc/26/49/16/654264916.db2.gz KJIMNVHLTNEKSU-OAHLLOKOSA-N 1 0 378.274 2.209 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1oc3ccccc3c1Br)C2 ZINC000871815546 654264872 /nfs/dbraw/zinc/26/48/72/654264872.db2.gz JTXRPUPTCFMKFJ-ZUZCIYMTSA-N 1 0 385.283 2.425 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c(Br)c1 ZINC000871816538 654265214 /nfs/dbraw/zinc/26/52/14/654265214.db2.gz GNVMLAUIBRFYDB-UONOGXRCSA-N 1 0 375.288 2.021 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)cc2N1 ZINC000871817377 654265348 /nfs/dbraw/zinc/26/53/48/654265348.db2.gz CIPQZQZAUVBIAL-NVXWUHKLSA-N 1 0 383.901 2.178 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000852893027 654265874 /nfs/dbraw/zinc/26/58/74/654265874.db2.gz LKZGGXRSKBWIGM-GFCCVEGCSA-N 1 0 376.400 2.385 20 0 GEADRO Cn1ncc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1Br ZINC000852891980 654265905 /nfs/dbraw/zinc/26/59/05/654265905.db2.gz DJVOZBSRSROCAK-OCCSQVGLSA-N 1 0 381.249 2.279 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000852893028 654265960 /nfs/dbraw/zinc/26/59/60/654265960.db2.gz LKZGGXRSKBWIGM-LBPRGKRZSA-N 1 0 376.400 2.385 20 0 GEADRO C[C@]12CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)C[C@H]1C2(Br)Br ZINC000852901771 654266715 /nfs/dbraw/zinc/26/67/15/654266715.db2.gz RAAZDZZLQLNNBO-AAXDQBDMSA-N 1 0 392.135 2.341 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000852907294 654267494 /nfs/dbraw/zinc/26/74/94/654267494.db2.gz IRKUMACGAPOETO-JKSUJKDBSA-N 1 0 383.286 2.118 20 0 GEADRO CNC(=O)CN1CCC([NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000921524638 654278071 /nfs/dbraw/zinc/27/80/71/654278071.db2.gz ILJKFXPNRVJOTO-UHFFFAOYSA-N 1 0 397.292 2.370 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)c1ccccn1)Cc1cc(Br)ccc1F ZINC000853110843 654279320 /nfs/dbraw/zinc/27/93/20/654279320.db2.gz KYZIWRTYKWYPOV-PXAZEXFGSA-N 1 0 383.261 2.457 20 0 GEADRO O[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000853115608 654279627 /nfs/dbraw/zinc/27/96/27/654279627.db2.gz LHPGRJQTOREWLT-PBHICJAKSA-N 1 0 387.293 2.465 20 0 GEADRO O[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000853115614 654280082 /nfs/dbraw/zinc/28/00/82/654280082.db2.gz LHPGRJQTOREWLT-YOEHRIQHSA-N 1 0 387.293 2.465 20 0 GEADRO CN(Cc1ccccc1Cl)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903714568 654280496 /nfs/dbraw/zinc/28/04/96/654280496.db2.gz ZPGLEPINCYGNBK-WCQYABFASA-N 1 0 377.794 2.037 20 0 GEADRO COC(=O)[C@H](Nc1cc2n(n1)CC[N@H+](C)C2)c1ccccc1Br ZINC000871926793 654281434 /nfs/dbraw/zinc/28/14/34/654281434.db2.gz LGRBNWFUSVPNOG-OAHLLOKOSA-N 1 0 379.258 2.417 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCCN2CCS(=O)(=O)c1cccc(Br)c1 ZINC000903796678 654283753 /nfs/dbraw/zinc/28/37/53/654283753.db2.gz BLNGYTXSEYNQNA-CZUORRHYSA-N 1 0 387.343 2.426 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCCN2Cc1nnnn1-c1ccccc1Br ZINC000903800241 654283838 /nfs/dbraw/zinc/28/38/38/654283838.db2.gz VQMIFQUPRQWIHK-BLLLJJGKSA-N 1 0 377.290 2.128 20 0 GEADRO C[NH+](C)CCc1ccccc1NC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000832713416 654289473 /nfs/dbraw/zinc/28/94/73/654289473.db2.gz ZEYUCVKFGMTVME-UHFFFAOYSA-N 1 0 381.885 2.495 20 0 GEADRO C[C@@H](CNc1nc(Cl)nc2c(Br)c[nH]c21)N1CC[NH+](C)CC1 ZINC000853258686 654289797 /nfs/dbraw/zinc/28/97/97/654289797.db2.gz ZGIPELZFZMLSDG-VIFPVBQESA-N 1 0 387.713 2.422 20 0 GEADRO C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2c(cc1Br)OCCO2 ZINC000891394003 654290997 /nfs/dbraw/zinc/29/09/97/654290997.db2.gz FNRGPWLXAHBGBO-UTUOFQBUSA-N 1 0 396.285 2.427 20 0 GEADRO COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903910886 654291635 /nfs/dbraw/zinc/29/16/35/654291635.db2.gz SKKFKFQLCHAMME-ZBFHGGJFSA-N 1 0 375.847 2.154 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)NCCC1N=NC(=S)N1C)c1ccsc1 ZINC000853344080 654293024 /nfs/dbraw/zinc/29/30/24/654293024.db2.gz CLVFZYFUIOOZPO-ZDUSSCGKSA-N 1 0 382.559 2.090 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853344923 654293131 /nfs/dbraw/zinc/29/31/31/654293131.db2.gz IDPZPAUMHNIFEF-CYBMUJFWSA-N 1 0 384.318 2.392 20 0 GEADRO O=S1(=O)N=C(Cl)c2ccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc21 ZINC000853352640 654293501 /nfs/dbraw/zinc/29/35/01/654293501.db2.gz CDNLOKOBLWQMCH-LBPRGKRZSA-N 1 0 383.901 2.287 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1OC ZINC000903969357 654293568 /nfs/dbraw/zinc/29/35/68/654293568.db2.gz XQNMLALWSCBLHH-CQSZACIVSA-N 1 0 390.933 2.004 20 0 GEADRO CCN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CC[NH2+]C1 ZINC000891443733 654293937 /nfs/dbraw/zinc/29/39/37/654293937.db2.gz DZVDVDQEEHPOPW-LBPRGKRZSA-N 1 0 384.274 2.114 20 0 GEADRO COc1cc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Br)c1OC ZINC000891464338 654295103 /nfs/dbraw/zinc/29/51/03/654295103.db2.gz FOFUAKRTPOBKPI-TXEJJXNPSA-N 1 0 384.274 2.112 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(c3ncnc(F)c3Br)CC2)CC1 ZINC000853452974 654296554 /nfs/dbraw/zinc/29/65/54/654296554.db2.gz QZWRDVKEDNFYIU-UHFFFAOYSA-N 1 0 386.313 2.373 20 0 GEADRO CCOC(=O)c1ncc(Br)c(NC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC000891485981 654296809 /nfs/dbraw/zinc/29/68/09/654296809.db2.gz XHHSZSPXQHIAFF-NSHDSACASA-N 1 0 383.246 2.146 20 0 GEADRO CCO[C@H](CNS(=O)(=O)c1ccc(-c2nc(C)cs2)cc1)C[NH+](C)C ZINC000921635595 654296759 /nfs/dbraw/zinc/29/67/59/654296759.db2.gz LPLVTICLZPVWON-OAHLLOKOSA-N 1 0 383.539 2.364 20 0 GEADRO CC(C)([NH3+])CCNC(=O)NCCc1ccc(I)s1 ZINC000891490915 654297137 /nfs/dbraw/zinc/29/71/37/654297137.db2.gz GWTQQJSHPREUDU-UHFFFAOYSA-N 1 0 381.283 2.322 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCc1ccc(I)s1 ZINC000891491596 654297191 /nfs/dbraw/zinc/29/71/91/654297191.db2.gz NYTBOIYAJYQLOK-BDAKNGLRSA-N 1 0 379.267 2.026 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)Nc2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000853482853 654298148 /nfs/dbraw/zinc/29/81/48/654298148.db2.gz LRCKZMWRSWQAEZ-UHFFFAOYSA-N 1 0 384.933 2.202 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000804031520 654300262 /nfs/dbraw/zinc/30/02/62/654300262.db2.gz IJZGCHSSJVZROT-UHFFFAOYSA-N 1 0 396.329 2.182 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccnc3I)C2)C1 ZINC000832870377 654300569 /nfs/dbraw/zinc/30/05/69/654300569.db2.gz 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ZINC000904126404 654303129 /nfs/dbraw/zinc/30/31/29/654303129.db2.gz IYGUXGOHBQYDOQ-UHFFFAOYSA-N 1 0 395.286 2.215 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(I)cc1C ZINC000904274452 654306841 /nfs/dbraw/zinc/30/68/41/654306841.db2.gz MFJCTJRDOPRYRE-GFCCVEGCSA-N 1 0 389.237 2.052 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000833552853 654307395 /nfs/dbraw/zinc/30/73/95/654307395.db2.gz RKTQHSDLNANZQQ-LLVKDONJSA-N 1 0 379.498 2.272 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1nc(Br)sc1C1CC1 ZINC000833574694 654307592 /nfs/dbraw/zinc/30/75/92/654307592.db2.gz IDZFMTZTLFBGOZ-NSHDSACASA-N 1 0 388.331 2.360 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H](SC)C2)c1 ZINC000921702797 654307994 /nfs/dbraw/zinc/30/79/94/654307994.db2.gz NNVCFFDUXIOJQV-GZBFAFLISA-N 1 0 385.555 2.186 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2nc3c(s2)CCCC3)C[C@H]1C(F)(F)F ZINC000891733129 654308699 /nfs/dbraw/zinc/30/86/99/654308699.db2.gz YJGLNLVXLHUJOQ-GHMZBOCLSA-N 1 0 376.448 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20 0 GEADRO Cc1cc(NCC(=O)Nc2ccc(I)cc2)nc(N)[nH+]1 ZINC000804703011 654318647 /nfs/dbraw/zinc/31/86/47/654318647.db2.gz PJBRKJFTNKPGAJ-UHFFFAOYSA-N 1 0 383.193 2.022 20 0 GEADRO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]1O ZINC000872258486 654320522 /nfs/dbraw/zinc/32/05/22/654320522.db2.gz KRGCNXMKWMEIPM-XKQJLSEDSA-N 1 0 392.297 2.438 20 0 GEADRO C[C@]1(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1(Br)Br ZINC000872264148 654320889 /nfs/dbraw/zinc/32/08/89/654320889.db2.gz NEXBQEURWQJTRP-GRYCIOLGSA-N 1 0 380.124 2.341 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C2 ZINC000872266252 654320902 /nfs/dbraw/zinc/32/09/02/654320902.db2.gz VAAUMWQYNXBODB-GASCZTMLSA-N 1 0 376.400 2.052 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1F)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302115 654322222 /nfs/dbraw/zinc/32/22/22/654322222.db2.gz OZUHAUFATHTWQQ-BIMULSAOSA-N 1 0 388.226 2.140 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000891995376 654323036 /nfs/dbraw/zinc/32/30/36/654323036.db2.gz NIGGSQLSSPHZBG-WFASDCNBSA-N 1 0 390.311 2.374 20 0 GEADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834437603 654324604 /nfs/dbraw/zinc/32/46/04/654324604.db2.gz KDLKHTFLTZJCEK-UHFFFAOYSA-N 1 0 390.285 2.246 20 0 GEADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)NC[C@@H]1CSCCS1 ZINC000853844703 654324909 /nfs/dbraw/zinc/32/49/09/654324909.db2.gz PHFHEHMBOFGIAM-QGZVFWFLSA-N 1 0 380.583 2.441 20 0 GEADRO COCC[NH+]1CCC(Nc2nc(C)c(C(=O)OC)cc2Br)CC1 ZINC000892013864 654325092 /nfs/dbraw/zinc/32/50/92/654325092.db2.gz PMJXXQDDPCOVQB-UHFFFAOYSA-N 1 0 386.290 2.462 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000892015792 654325159 /nfs/dbraw/zinc/32/51/59/654325159.db2.gz QHNKQPZEOPPUEG-UONOGXRCSA-N 1 0 376.284 2.127 20 0 GEADRO O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000905067201 654328992 /nfs/dbraw/zinc/32/89/92/654328992.db2.gz YTFIPNNPEGNPED-ZDUSSCGKSA-N 1 0 386.286 2.366 20 0 GEADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872429896 654332334 /nfs/dbraw/zinc/33/23/34/654332334.db2.gz LIVNBULXGBAMKR-UHFFFAOYSA-N 1 0 385.917 2.330 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@H]2CSc3ccccc32)CCC1 ZINC000905125668 654333164 /nfs/dbraw/zinc/33/31/64/654333164.db2.gz ATLXSMSVQCWIOY-GOEBONIOSA-N 1 0 384.567 2.425 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000905135096 654333624 /nfs/dbraw/zinc/33/36/24/654333624.db2.gz UXRBRXIZGLNWDN-ILXRZTDVSA-N 1 0 376.316 2.428 20 0 GEADRO C[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000853973304 654333692 /nfs/dbraw/zinc/33/36/92/654333692.db2.gz BWNZRCRGIZGTND-YGCGCYASSA-N 1 0 383.480 2.250 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CSc3ccccc3O2)C[C@@H]1C(F)(F)F ZINC000892199573 654333773 /nfs/dbraw/zinc/33/37/73/654333773.db2.gz BDNAVUITSSZJIZ-WOPDTQHZSA-N 1 0 375.416 2.318 20 0 GEADRO CCNS(=O)(=O)c1ccc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905167392 654335485 /nfs/dbraw/zinc/33/54/85/654335485.db2.gz URXSLABWUWRPLO-LBPRGKRZSA-N 1 0 390.374 2.023 20 0 GEADRO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(F)F ZINC000905174143 654335834 /nfs/dbraw/zinc/33/58/34/654335834.db2.gz DPBUPBMLOJAFMD-HNNXBMFYSA-N 1 0 379.245 2.391 20 0 GEADRO Cc1nc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c(Br)n1C ZINC000805020207 654336634 /nfs/dbraw/zinc/33/66/34/654336634.db2.gz PVSGGJIFMDQEIP-UHFFFAOYSA-N 1 0 395.367 2.278 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(C)([NH3+])CC2)ccc1Cl ZINC000834592792 654337128 /nfs/dbraw/zinc/33/71/28/654337128.db2.gz DAVWKIPKCQWWAS-UHFFFAOYSA-N 1 0 387.933 2.370 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1(O)CCOCC1 ZINC000905203964 654338806 /nfs/dbraw/zinc/33/88/06/654338806.db2.gz TWCYRYZDYYUVFZ-WBMJQRKESA-N 1 0 375.296 2.064 20 0 GEADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872450060 654339358 /nfs/dbraw/zinc/33/93/58/654339358.db2.gz RLQMJDXIHIUJIG-XMMPIXPASA-N 1 0 391.559 2.204 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000892325179 654340086 /nfs/dbraw/zinc/34/00/86/654340086.db2.gz HMZXEPVZORMUPT-HNNXBMFYSA-N 1 0 397.361 2.269 20 0 GEADRO BrC1(C[NH+]2CCC(c3nccc(N4CCOCC4)n3)CC2)CC1 ZINC000854103273 654340784 /nfs/dbraw/zinc/34/07/84/654340784.db2.gz IYTDVHLJFIEUIW-UHFFFAOYSA-N 1 0 381.318 2.420 20 0 GEADRO CC[C@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000834641970 654340680 /nfs/dbraw/zinc/34/06/80/654340680.db2.gz OKOGTLGUMITIFX-FZMZJTMJSA-N 1 0 379.917 2.473 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C[C@@]1(O)CCOC1 ZINC000905231456 654341810 /nfs/dbraw/zinc/34/18/10/654341810.db2.gz PPXHRFFROXNPGD-MPGHIAIKSA-N 1 0 389.323 2.454 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1(O)CCOCC1 ZINC000905230867 654342005 /nfs/dbraw/zinc/34/20/05/654342005.db2.gz NWBNQUAFUMGGJN-YOEHRIQHSA-N 1 0 389.323 2.454 20 0 GEADRO C[C@H]1C[C@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[NH2+]1 ZINC000834682046 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CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H](O)CCC2(O)CCC2)c1 ZINC000905286021 654347656 /nfs/dbraw/zinc/34/76/56/654347656.db2.gz LLYQCKGMPNBYGD-OAHLLOKOSA-N 1 0 375.918 2.279 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)nc12 ZINC000921959932 654347802 /nfs/dbraw/zinc/34/78/02/654347802.db2.gz KZZQDURRMQJRSO-SMDDNHRTSA-N 1 0 380.290 2.297 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000905280450 654347785 /nfs/dbraw/zinc/34/77/85/654347785.db2.gz QGFDDAKRNNZTCH-OAHLLOKOSA-N 1 0 382.309 2.210 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892488165 654348357 /nfs/dbraw/zinc/34/83/57/654348357.db2.gz FSVKHOMNCRJWBH-UHFFFAOYSA-N 1 0 384.318 2.322 20 0 GEADRO [NH3+][C@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)CC[C@H]1C(F)(F)F ZINC000905295500 654348626 /nfs/dbraw/zinc/34/86/26/654348626.db2.gz FDRKUSWSHCQZLI-SCZZXKLOSA-N 1 0 393.207 2.468 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)CC[C@H]1C(F)(F)F ZINC000905295499 654348680 /nfs/dbraw/zinc/34/86/80/654348680.db2.gz FDRKUSWSHCQZLI-PSASIEDQSA-N 1 0 393.207 2.468 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C[C@H]1C(F)(F)F ZINC000905293411 654348721 /nfs/dbraw/zinc/34/87/21/654348721.db2.gz IHVXCCAFWDKYBH-HZGVNTEJSA-N 1 0 378.326 2.445 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC000872474189 654348934 /nfs/dbraw/zinc/34/89/34/654348934.db2.gz ASGPMXIDHQORET-GFCCVEGCSA-N 1 0 379.448 2.068 20 0 GEADRO Cc1nc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)sc1Br ZINC000921968810 654349443 /nfs/dbraw/zinc/34/94/43/654349443.db2.gz GCFRPSRFLGXZKV-MFKMUULPSA-N 1 0 395.344 2.040 20 0 GEADRO C[NH+](C)CCOc1cccc(NC(=O)NCC[S@@](=O)CC(F)(F)F)c1 ZINC000854306742 654349728 /nfs/dbraw/zinc/34/97/28/654349728.db2.gz FHONCXJWNFLDJR-RUZDIDTESA-N 1 0 381.420 2.060 20 0 GEADRO Cn1cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c(I)n1 ZINC000905310250 654349909 /nfs/dbraw/zinc/34/99/09/654349909.db2.gz IXACJVOSETWANG-CBLAIPOGSA-N 1 0 385.209 2.073 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000834813094 654350067 /nfs/dbraw/zinc/35/00/67/654350067.db2.gz DPODBABUCZEVOG-SECBINFHSA-N 1 0 394.324 2.291 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[S@@](=O)CC(F)(F)F ZINC000854308367 654350153 /nfs/dbraw/zinc/35/01/53/654350153.db2.gz ZACMQHUJFSQFCU-RUZDIDTESA-N 1 0 379.448 2.201 20 0 GEADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc1 ZINC000872477193 654350278 /nfs/dbraw/zinc/35/02/78/654350278.db2.gz GDNULMMEGFUTAI-QHCPKHFHSA-N 1 0 375.560 2.021 20 0 GEADRO C[C@@H](COc1ccccc1C(F)(F)F)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905334265 654350957 /nfs/dbraw/zinc/35/09/57/654350957.db2.gz OIVNYIFMEAUZCW-LBPRGKRZSA-N 1 0 380.432 2.392 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000834825638 654351281 /nfs/dbraw/zinc/35/12/81/654351281.db2.gz FHRVOBALVUVHTP-AWEZNQCLSA-N 1 0 387.933 2.372 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000905357060 654352922 /nfs/dbraw/zinc/35/29/22/654352922.db2.gz IEYOCSUTCOFPDI-MLGOLLRUSA-N 1 0 388.917 2.174 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000834858845 654353605 /nfs/dbraw/zinc/35/36/05/654353605.db2.gz YBEYOEHTFXPUKZ-LLVKDONJSA-N 1 0 398.248 2.057 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)Cc1cccc(Br)c1 ZINC000905365300 654353721 /nfs/dbraw/zinc/35/37/21/654353721.db2.gz IUEMJPOMLKSQLG-WBVHZDCISA-N 1 0 386.330 2.246 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)CCC1(O)CCC1)Cc1cccc(Br)c1 ZINC000905365563 654353790 /nfs/dbraw/zinc/35/37/90/654353790.db2.gz KFSGUSUPMPWPRY-WBVHZDCISA-N 1 0 386.330 2.246 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(Br)cn2)C[C@@H]1C(F)(F)F ZINC000892617025 654353821 /nfs/dbraw/zinc/35/38/21/654353821.db2.gz RZYPSYMICDDUMV-KCJUWKMLSA-N 1 0 381.196 2.123 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1 ZINC000834913931 654355544 /nfs/dbraw/zinc/35/55/44/654355544.db2.gz RHZHUBHGGPSFHH-OWCLPIDISA-N 1 0 376.444 2.184 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)Cc1ccoc1 ZINC000905418292 654355902 /nfs/dbraw/zinc/35/59/02/654355902.db2.gz KXIQTXWJCUCMGJ-GDBMZVCRSA-N 1 0 384.270 2.223 20 0 GEADRO C[C@](O)(C[NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000905429090 654356264 /nfs/dbraw/zinc/35/62/64/654356264.db2.gz BOWTWBBANLQWLK-DOMZBBRYSA-N 1 0 394.306 2.353 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)Cc1ccoc1 ZINC000905418903 654356323 /nfs/dbraw/zinc/35/63/23/654356323.db2.gz MYZHBYCHPQILHD-GDBMZVCRSA-N 1 0 384.270 2.223 20 0 GEADRO Cc1ccc(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)c(Cl)n1 ZINC000905431780 654356788 /nfs/dbraw/zinc/35/67/88/654356788.db2.gz LIHCQFOFYSXZSU-AWEZNQCLSA-N 1 0 389.949 2.135 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000905429989 654356806 /nfs/dbraw/zinc/35/68/06/654356806.db2.gz HQXBCPXGIXROQM-STQMWFEESA-N 1 0 382.309 2.290 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000835074683 654360471 /nfs/dbraw/zinc/36/04/71/654360471.db2.gz UNWRTFLGYAYKIS-LLVKDONJSA-N 1 0 383.290 2.082 20 0 GEADRO CSC1CCC(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905506996 654362060 /nfs/dbraw/zinc/36/20/60/654362060.db2.gz ASFSTTJRENBUEX-GPANFISMSA-N 1 0 392.631 2.499 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000892759519 654362597 /nfs/dbraw/zinc/36/25/97/654362597.db2.gz PEOQYJVQBUQFIJ-SJLPKXTDSA-N 1 0 394.313 2.227 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000835120393 654362901 /nfs/dbraw/zinc/36/29/01/654362901.db2.gz WSFYRTIQEQBWDO-CHWSQXEVSA-N 1 0 397.317 2.470 20 0 GEADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCSC[C@H]1c1nccs1 ZINC000892765155 654363430 /nfs/dbraw/zinc/36/34/30/654363430.db2.gz BJCYZPWWABBCFW-KBPBESRZSA-N 1 0 382.555 2.101 20 0 GEADRO CO[C@@]1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCSC1 ZINC000905546566 654365147 /nfs/dbraw/zinc/36/51/47/654365147.db2.gz NJUJZDDIIYVEEG-DZGCQCFKSA-N 1 0 376.316 2.301 20 0 GEADRO NC(=O)NC(=O)CC[NH2+][C@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC000905553210 654365467 /nfs/dbraw/zinc/36/54/67/654365467.db2.gz SZNKICRSPZYFFY-LBPRGKRZSA-N 1 0 382.258 2.370 20 0 GEADRO CC(C)O[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCOC1 ZINC000905557953 654366238 /nfs/dbraw/zinc/36/62/38/654366238.db2.gz RNGBPWWZKBISOW-WBVHZDCISA-N 1 0 388.302 2.363 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000892850128 654366559 /nfs/dbraw/zinc/36/65/59/654366559.db2.gz KQRFJJXJOHNKGH-CQSZACIVSA-N 1 0 388.306 2.260 20 0 GEADRO Cn1nc(Br)nc1CNc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000922095547 654366585 /nfs/dbraw/zinc/36/65/85/654366585.db2.gz YNLHMMSKQGZQIU-UHFFFAOYSA-N 1 0 388.697 2.267 20 0 GEADRO C[NH+]1CCC(NC(=S)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CC1 ZINC000905564518 654366646 /nfs/dbraw/zinc/36/66/46/654366646.db2.gz LUZFUHWSMJWZOW-HUUCEWRRSA-N 1 0 375.460 2.079 20 0 GEADRO CC(C)(C[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)CS(C)(=O)=O ZINC000905580917 654367457 /nfs/dbraw/zinc/36/74/57/654367457.db2.gz WTPMKCHSIKIWEN-CYBMUJFWSA-N 1 0 384.325 2.394 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)n2)C[C@H]1C ZINC000835173081 654368248 /nfs/dbraw/zinc/36/82/48/654368248.db2.gz UHCURGYBLNXYQH-CHWSQXEVSA-N 1 0 397.317 2.422 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000892874987 654368512 /nfs/dbraw/zinc/36/85/12/654368512.db2.gz BPFBNZBQDNYQTB-KCQAQPDRSA-N 1 0 387.343 2.441 20 0 GEADRO C[C@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC[C@H](C(F)(F)F)O1 ZINC000892878456 654368516 /nfs/dbraw/zinc/36/85/16/654368516.db2.gz UPDNZCIREROVIB-JOYOIKCWSA-N 1 0 378.420 2.122 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H](CCO)c1ccc(Cl)cc1)C2 ZINC000892879205 654368827 /nfs/dbraw/zinc/36/88/27/654368827.db2.gz LSUOFMRSJFSRDY-CYBMUJFWSA-N 1 0 380.901 2.447 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000835183705 654369429 /nfs/dbraw/zinc/36/94/29/654369429.db2.gz VWJWQGLHVISXEQ-CYBMUJFWSA-N 1 0 397.317 2.185 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@@H]2CCSC3(CCC3)C2)CCC1 ZINC000905610527 654370080 /nfs/dbraw/zinc/37/00/80/654370080.db2.gz SCHVXVUGQZGEBV-HUUCEWRRSA-N 1 0 390.615 2.396 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)COc1ccc(Br)cc1 ZINC000905624197 654370783 /nfs/dbraw/zinc/37/07/83/654370783.db2.gz KMZPKSNHOZNYQT-IRXDYDNUSA-N 1 0 399.329 2.032 20 0 GEADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2nc(Br)c[nH]2)cc1OC ZINC000922137876 654371251 /nfs/dbraw/zinc/37/12/51/654371251.db2.gz DDVMEQPMQZBCMQ-MRXNPFEDSA-N 1 0 384.274 2.273 20 0 GEADRO C[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000892944142 654371475 /nfs/dbraw/zinc/37/14/75/654371475.db2.gz FUDBPQCOTITTMB-ZVZYQTTQSA-N 1 0 386.945 2.126 20 0 GEADRO C[NH+]1CCC(NC(=S)N2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000905645107 654371492 /nfs/dbraw/zinc/37/14/92/654371492.db2.gz OBBYGHYFMDRQPF-ZDUSSCGKSA-N 1 0 384.347 2.345 20 0 GEADRO CSc1ccc(Br)cc1CC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905650380 654371999 /nfs/dbraw/zinc/37/19/99/654371999.db2.gz CERAHDMNFFUFLM-GOEBONIOSA-N 1 0 390.343 2.206 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNc1ncnc2c1c(Br)nn2C(C)(C)C ZINC000892954720 654372156 /nfs/dbraw/zinc/37/21/56/654372156.db2.gz AVGCZPGBSWMFSA-OAHLLOKOSA-N 1 0 385.310 2.068 20 0 GEADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cnc3n2CCOC3)cc1Br ZINC000922162512 654372754 /nfs/dbraw/zinc/37/27/54/654372754.db2.gz NVPJDWLYLBYBCA-OAHLLOKOSA-N 1 0 394.313 2.425 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCS(=O)(=O)C1 ZINC000892964968 654373129 /nfs/dbraw/zinc/37/31/29/654373129.db2.gz DEFPTGWXAFXDOZ-MELADBBJSA-N 1 0 387.343 2.441 20 0 GEADRO Cc1nc(C[NH2+]CC2(N3CCOCC3)CCOCC2)sc1Br ZINC000922177102 654374136 /nfs/dbraw/zinc/37/41/36/654374136.db2.gz DOMSACGPRPJGDI-UHFFFAOYSA-N 1 0 390.347 2.185 20 0 GEADRO CCn1c(C[NH2+]C[C@H]2CCCNC2=O)nc(Br)c1Br ZINC000922180597 654374205 /nfs/dbraw/zinc/37/42/05/654374205.db2.gz JRGZFWMLXXJSBY-MRVPVSSYSA-N 1 0 394.111 2.044 20 0 GEADRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)CS[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000854676445 654374554 /nfs/dbraw/zinc/37/45/54/654374554.db2.gz MOFKYEHTMLROIJ-MRXNPFEDSA-N 1 0 388.599 2.020 20 0 GEADRO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000905696820 654375277 /nfs/dbraw/zinc/37/52/77/654375277.db2.gz AHPKSFODZKJAGL-CQSZACIVSA-N 1 0 393.281 2.327 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(C(F)(F)Br)nc1 ZINC000854690499 654375416 /nfs/dbraw/zinc/37/54/16/654375416.db2.gz XHROAATXXUWNOJ-LBPRGKRZSA-N 1 0 392.244 2.102 20 0 GEADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N2CC(C[NH+](C)C)C2)cc1 ZINC000854725041 654379432 /nfs/dbraw/zinc/37/94/32/654379432.db2.gz YBECIBACSKYCJL-HNNXBMFYSA-N 1 0 379.302 2.302 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000922261044 654380034 /nfs/dbraw/zinc/38/00/34/654380034.db2.gz SETZYIIQVFXVHF-GFCCVEGCSA-N 1 0 380.246 2.002 20 0 GEADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922285807 654381239 /nfs/dbraw/zinc/38/12/39/654381239.db2.gz FGZFECWOXJJCQU-INIZCTEOSA-N 1 0 397.292 2.499 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)C(OC)OC ZINC000922312539 654382558 /nfs/dbraw/zinc/38/25/58/654382558.db2.gz AGOLSFYCPJFAKO-GHMZBOCLSA-N 1 0 389.290 2.059 20 0 GEADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000905851739 654384599 /nfs/dbraw/zinc/38/45/99/654384599.db2.gz CIIFQAYISFEIAY-MFKMUULPSA-N 1 0 384.274 2.485 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000893140927 654384974 /nfs/dbraw/zinc/38/49/74/654384974.db2.gz ZUSKFQKRKZLGBD-KCQAQPDRSA-N 1 0 379.444 2.269 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(I)n2)C1 ZINC000854893310 654387924 /nfs/dbraw/zinc/38/79/24/654387924.db2.gz IMEZSELSTJAMJU-SECBINFHSA-N 1 0 379.267 2.302 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000893209567 654389561 /nfs/dbraw/zinc/38/95/61/654389561.db2.gz KTHIIILGWMBIAF-WZFLISSASA-N 1 0 388.892 2.164 20 0 GEADRO Cn1nccc1[C@H]1[C@H](CNC(=O)NCc2cnc(Cl)s2)CCC[N@@H+]1C ZINC000922412519 654391053 /nfs/dbraw/zinc/39/10/53/654391053.db2.gz IZYKMFNTMWLBFZ-SMDDNHRTSA-N 1 0 382.921 2.412 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cn(C)c(=O)[nH]1 ZINC000854988878 654392671 /nfs/dbraw/zinc/39/26/71/654392671.db2.gz NTRWQCPWFYJBMX-UHFFFAOYSA-N 1 0 396.289 2.138 20 0 GEADRO CC(C)[C@H]1CN(Cn2nc(Br)c(=O)c3ccccc32)CC[N@@H+]1C ZINC000872737396 654393694 /nfs/dbraw/zinc/39/36/94/654393694.db2.gz MWGWAEPPEFWHGB-OAHLLOKOSA-N 1 0 379.302 2.389 20 0 GEADRO CC(C)[C@H]1CN(CN2C(=O)c3ccc(Br)cc3C2=O)CC[N@@H+]1C ZINC000872737204 654393829 /nfs/dbraw/zinc/39/38/29/654393829.db2.gz JPXDYJXQMVRBFJ-OAHLLOKOSA-N 1 0 380.286 2.275 20 0 GEADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]CC[S@](=O)C(F)(F)F)O2 ZINC000905967711 654395067 /nfs/dbraw/zinc/39/50/67/654395067.db2.gz WHSVVWRVBJBRFV-NDHGSNPTSA-N 1 0 386.436 2.013 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1csc(I)n1 ZINC000855056508 654395287 /nfs/dbraw/zinc/39/52/87/654395287.db2.gz OJBMYHYQGNBAQK-KOLCDFICSA-N 1 0 391.278 2.494 20 0 GEADRO O=C1NCCC12CC[NH+](Cn1ccc(=O)c3cccc(Br)c31)CC2 ZINC000872789181 654395596 /nfs/dbraw/zinc/39/55/96/654395596.db2.gz XDJSWCHVRBVCKM-UHFFFAOYSA-N 1 0 390.281 2.324 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000905983945 654396468 /nfs/dbraw/zinc/39/64/68/654396468.db2.gz IESBWMYRDQCWOY-UTUOFQBUSA-N 1 0 382.302 2.499 20 0 GEADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(C)c(Br)cn2)cn1 ZINC000922523605 654399692 /nfs/dbraw/zinc/39/96/92/654399692.db2.gz AAWPLURPYQSTDT-WBVHZDCISA-N 1 0 392.301 2.478 20 0 GEADRO Cc1n[nH]c(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000855202055 654399795 /nfs/dbraw/zinc/39/97/95/654399795.db2.gz JDQTXFFJNYUDRT-UHFFFAOYSA-N 1 0 385.306 2.101 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2CCN2C)cc(I)c1OC ZINC000922575110 654401856 /nfs/dbraw/zinc/40/18/56/654401856.db2.gz ZOCPAEDIJNHDIY-LLVKDONJSA-N 1 0 376.238 2.102 20 0 GEADRO CO[C@@]1(C[NH2+]C/C(C)=C/c2ccccc2OC(F)F)CCS(=O)(=O)C1 ZINC000922617258 654403574 /nfs/dbraw/zinc/40/35/74/654403574.db2.gz HXINROXNCYZEIW-JZUUQJBKSA-N 1 0 375.437 2.485 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)C[C@@H]1C(F)(F)F ZINC000893515840 654404876 /nfs/dbraw/zinc/40/48/76/654404876.db2.gz WVOUUHFDVORPBU-FQUUOJAGSA-N 1 0 385.448 2.454 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1ncc(Cl)s1 ZINC000872944677 654406503 /nfs/dbraw/zinc/40/65/03/654406503.db2.gz FHFCRJFAIJROFL-UHFFFAOYSA-N 1 0 386.930 2.065 20 0 GEADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cn(C)nc1Br ZINC000922685160 654407694 /nfs/dbraw/zinc/40/76/94/654407694.db2.gz ZUXZPKSTKLCTQX-UHFFFAOYSA-N 1 0 386.315 2.309 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+]C3CC(S(C)(=O)=O)C3)nc12 ZINC000893563230 654408595 /nfs/dbraw/zinc/40/85/95/654408595.db2.gz KYOVFUDZOJLZEQ-UHFFFAOYSA-N 1 0 386.315 2.113 20 0 GEADRO COc1ccc(CNCC(C)(C)CS(C)(=O)=O)c(Br)c1O ZINC000922739142 654411136 /nfs/dbraw/zinc/41/11/36/654411136.db2.gz BIASXSDKSQDBNV-UHFFFAOYSA-N 1 0 380.304 2.324 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]CC[C@H]1CNC(=O)C1 ZINC000922781986 654413077 /nfs/dbraw/zinc/41/30/77/654413077.db2.gz ODNGXQCMWHCPGN-CYBMUJFWSA-N 1 0 385.302 2.480 20 0 GEADRO CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000922784101 654413107 /nfs/dbraw/zinc/41/31/07/654413107.db2.gz FKOGFVNQEVNYJC-HNNXBMFYSA-N 1 0 389.294 2.288 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(F)c1I)[C@H]1CN(C)CCO1 ZINC000873081890 654413620 /nfs/dbraw/zinc/41/36/20/654413620.db2.gz VEPABUHSVPQMTE-ZWNOBZJWSA-N 1 0 378.229 2.239 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)c1ccc(Br)s1 ZINC000855346291 654414243 /nfs/dbraw/zinc/41/42/43/654414243.db2.gz VLTGKBZGXSIEPN-NSHDSACASA-N 1 0 390.347 2.082 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2s1 ZINC000873105828 654415233 /nfs/dbraw/zinc/41/52/33/654415233.db2.gz CTFOKUJGQWGXHC-DYZYQPBXSA-N 1 0 376.507 2.025 20 0 GEADRO C[C@@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCCO1 ZINC000922818276 654415429 /nfs/dbraw/zinc/41/54/29/654415429.db2.gz XTKPSURYWJRSKJ-AWEZNQCLSA-N 1 0 377.304 2.145 20 0 GEADRO COc1cccc(Sc2ccccc2C[NH2+]C[C@H](O)CS(C)(=O)=O)c1 ZINC000922824960 654415645 /nfs/dbraw/zinc/41/56/45/654415645.db2.gz XJKRUCQZBUMZDU-HNNXBMFYSA-N 1 0 381.519 2.342 20 0 GEADRO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc(Br)c1O ZINC000922854148 654416763 /nfs/dbraw/zinc/41/67/63/654416763.db2.gz HBVCVTSHRISJLT-YOGCLGLASA-N 1 0 390.299 2.361 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000906124611 654418071 /nfs/dbraw/zinc/41/80/71/654418071.db2.gz ZDKIIQWBDUGSEP-ZDUSSCGKSA-N 1 0 379.320 2.283 20 0 GEADRO O=C(c1nc(F)ccc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922880204 654418156 /nfs/dbraw/zinc/41/81/56/654418156.db2.gz HWVPKWBDNNYHHB-UHFFFAOYSA-N 1 0 386.265 2.356 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000922896349 654418816 /nfs/dbraw/zinc/41/88/16/654418816.db2.gz MRYHPRISUOQNQC-BXUZGUMPSA-N 1 0 375.254 2.320 20 0 GEADRO O=C1OCC[C@@H]1CCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000873160045 654420106 /nfs/dbraw/zinc/42/01/06/654420106.db2.gz JLWYNHDXZYNIEY-LBPRGKRZSA-N 1 0 379.258 2.463 20 0 GEADRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cc(Br)nn2C)c1 ZINC000873193435 654422450 /nfs/dbraw/zinc/42/24/50/654422450.db2.gz CFEJPQKPFAJJSV-QFYYESIMSA-N 1 0 384.274 2.412 20 0 GEADRO Nc1cnc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000873210173 654422669 /nfs/dbraw/zinc/42/26/69/654422669.db2.gz XKLIODGRTGCYSK-NSHDSACASA-N 1 0 391.273 2.067 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1nscc1I ZINC000906241357 654423590 /nfs/dbraw/zinc/42/35/90/654423590.db2.gz UUHPOWLRJVSNOY-IUCAKERBSA-N 1 0 377.251 2.104 20 0 GEADRO CCS(=O)(=O)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000873303827 654424116 /nfs/dbraw/zinc/42/41/16/654424116.db2.gz LIURFUHOBYXDMT-GWCFXTLKSA-N 1 0 379.404 2.081 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3C[C@@H](O)C34CCOCC4)cnc12 ZINC000923018250 654424609 /nfs/dbraw/zinc/42/46/09/654424609.db2.gz DRRRKBVVMYXNBR-LSDHHAIUSA-N 1 0 380.286 2.425 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(C3CCOCC3)s2)C[C@@H]1C(F)(F)F ZINC000873328429 654424849 /nfs/dbraw/zinc/42/48/49/654424849.db2.gz OBJIVIUBPRIBDZ-ZJUUUORDSA-N 1 0 379.408 2.033 20 0 GEADRO O[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2I)C12CCOCC2 ZINC000923020785 654425063 /nfs/dbraw/zinc/42/50/63/654425063.db2.gz UTXUMWNDHIEHHK-STQMWFEESA-N 1 0 391.224 2.450 20 0 GEADRO C[C@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)C[NH+]1CCCC1 ZINC000906317752 654427324 /nfs/dbraw/zinc/42/73/24/654427324.db2.gz DDMDYWNIJOPZKR-GFCCVEGCSA-N 1 0 382.302 2.407 20 0 GEADRO Cn1ncc(I)c1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000893969713 654435175 /nfs/dbraw/zinc/43/51/75/654435175.db2.gz WTOIGHQPVPEMFC-ZDUSSCGKSA-N 1 0 388.297 2.475 20 0 GEADRO Cn1ncc(I)c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000893986389 654436093 /nfs/dbraw/zinc/43/60/93/654436093.db2.gz KJCMPHKBBYRNIA-UHFFFAOYSA-N 1 0 388.297 2.475 20 0 GEADRO Cn1cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c(I)n1 ZINC000893986552 654436327 /nfs/dbraw/zinc/43/63/27/654436327.db2.gz OHNVXKABNNVQQE-AWEZNQCLSA-N 1 0 388.297 2.475 20 0 GEADRO Cn1cc(C(=O)NCC[N@H+](C)C2CCCCC2)c(I)n1 ZINC000906425962 654436725 /nfs/dbraw/zinc/43/67/25/654436725.db2.gz PTGORWJSDWISCW-UHFFFAOYSA-N 1 0 390.269 2.019 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906434202 654436748 /nfs/dbraw/zinc/43/67/48/654436748.db2.gz BIEFZIZQZNMOQE-ZDUSSCGKSA-N 1 0 392.301 2.490 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291407 654441652 /nfs/dbraw/zinc/44/16/52/654441652.db2.gz RMMOFQPXNWPNRD-AAEUAGOBSA-N 1 0 377.710 2.384 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923301559 654442364 /nfs/dbraw/zinc/44/23/64/654442364.db2.gz WMSGMUPPHMBJEN-MRXNPFEDSA-N 1 0 384.307 2.130 20 0 GEADRO C[NH2+]C[C@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291412 654442375 /nfs/dbraw/zinc/44/23/75/654442375.db2.gz RMMOFQPXNWPNRD-YPMHNXCESA-N 1 0 377.710 2.384 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923331173 654445014 /nfs/dbraw/zinc/44/50/14/654445014.db2.gz LJWVXMROTPPRJT-CABCVRRESA-N 1 0 375.282 2.402 20 0 GEADRO CC(C)[C@H]1CN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC[NH2+]1 ZINC000923344428 654445423 /nfs/dbraw/zinc/44/54/23/654445423.db2.gz HKJNKHNROLILLY-GDBMZVCRSA-N 1 0 375.282 2.258 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCCC3SCCS3)C2)[C@H]1C(C)C ZINC000923337906 654445431 /nfs/dbraw/zinc/44/54/31/654445431.db2.gz VGNOJMIBBZSATI-SZXPJGKVSA-N 1 0 387.615 2.352 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NCCC[N@H+](C)C(C)C ZINC000873663817 654445624 /nfs/dbraw/zinc/44/56/24/654445624.db2.gz MERPBRGTRABXPP-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO COc1ccccc1OCC[NH2+]Cc1c(I)cnn1C ZINC000894139775 654449485 /nfs/dbraw/zinc/44/94/85/654449485.db2.gz HJCAZKRYMVDEOA-UHFFFAOYSA-N 1 0 387.221 2.202 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873693265 654449594 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Cc1cc(Br)c(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000906603671 654453092 /nfs/dbraw/zinc/45/30/92/654453092.db2.gz YDGYGCHDDRPURA-UONOGXRCSA-N 1 0 387.343 2.419 20 0 GEADRO [NH3+][C@]1(CO)CCCN(Cc2cc(Cl)ccc2I)C1 ZINC000923473986 654454726 /nfs/dbraw/zinc/45/47/26/654454726.db2.gz DWNZJPARFNENPX-CYBMUJFWSA-N 1 0 380.657 2.230 20 0 GEADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCn2ncc(Br)c2C1 ZINC000856010511 654454933 /nfs/dbraw/zinc/45/49/33/654454933.db2.gz JTTRKJKIUBOVEU-UHFFFAOYSA-N 1 0 397.317 2.023 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCOc1cccc(F)c1 ZINC000894201046 654455144 /nfs/dbraw/zinc/45/51/44/654455144.db2.gz ZXCFVNMEGLALKH-UHFFFAOYSA-N 1 0 375.185 2.332 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000873732149 654455912 /nfs/dbraw/zinc/45/59/12/654455912.db2.gz JUSIZELWCZDEMI-ZWNOBZJWSA-N 1 0 396.285 2.189 20 0 GEADRO CN(CC(F)(F)Br)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906672992 654458467 /nfs/dbraw/zinc/45/84/67/654458467.db2.gz 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CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(I)cnn2C)C1 ZINC000894325272 654465681 /nfs/dbraw/zinc/46/56/81/654465681.db2.gz RKZAWZQIHWADIU-QQKBFRNYSA-N 1 0 395.310 2.194 20 0 GEADRO O=C(NCc1cnc(Br)cn1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000923545052 654466233 /nfs/dbraw/zinc/46/62/33/654466233.db2.gz OAJQKHJQAOGALV-ZDUSSCGKSA-N 1 0 382.306 2.160 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000906740740 654466918 /nfs/dbraw/zinc/46/69/18/654466918.db2.gz ZINYKUBGAJWPAN-UHFFFAOYSA-N 1 0 382.917 2.223 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C2 ZINC000906754799 654468358 /nfs/dbraw/zinc/46/83/58/654468358.db2.gz GTPUDWLWXOIAOU-QXEWZRGKSA-N 1 0 386.677 2.379 20 0 GEADRO Cc1noc2ncc(C[NH2+]CCNS(=O)(=O)c3ccc(Cl)s3)cc12 ZINC000894355058 654468436 /nfs/dbraw/zinc/46/84/36/654468436.db2.gz RJYWHVSDZWAMRX-UHFFFAOYSA-N 1 0 386.886 2.314 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C2 ZINC000906755957 654468670 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Cn1ncc(I)c1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000894369320 654470391 /nfs/dbraw/zinc/47/03/91/654470391.db2.gz SZMHMSZKKHHZBU-UHFFFAOYSA-N 1 0 383.237 2.024 20 0 GEADRO COC(=O)[C@H]1[C@@H](C[NH2+]CC(=O)Nc2ccc(Br)cc2)C1(F)F ZINC000894375360 654470683 /nfs/dbraw/zinc/47/06/83/654470683.db2.gz JVKYJGSOKQZXHF-ZYHUDNBSSA-N 1 0 377.185 2.032 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC[C@]34CC[NH2+]C4)n2)s1 ZINC000906774063 654471137 /nfs/dbraw/zinc/47/11/37/654471137.db2.gz ZDAZDXGRHCJVQO-QGZVFWFLSA-N 1 0 376.507 2.473 20 0 GEADRO COc1cccc([C@@H](CNC(=O)c2cc(N)nc(Br)c2)[NH+](C)C)c1 ZINC000873842578 654471739 /nfs/dbraw/zinc/47/17/39/654471739.db2.gz GIRRULVUYOLHDX-CQSZACIVSA-N 1 0 393.285 2.468 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)NCc2cn(C)nc2Br)CC1 ZINC000923630289 654472779 /nfs/dbraw/zinc/47/27/79/654472779.db2.gz CPYRQUFEMSXMOS-UHFFFAOYSA-N 1 0 386.338 2.492 20 0 GEADRO O=S(=O)([C@H]1CCC[NH2+]C1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000923628424 654472927 /nfs/dbraw/zinc/47/29/27/654472927.db2.gz OXETYFHKFUDOBT-ROUUACIJSA-N 1 0 380.535 2.366 20 0 GEADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254652 654473123 /nfs/dbraw/zinc/47/31/23/654473123.db2.gz XSWCJBXELDXMGA-DLBZAZTESA-N 1 0 387.307 2.475 20 0 GEADRO CN(C(=O)c1cnnn1-c1ccccc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000906796932 654473297 /nfs/dbraw/zinc/47/32/97/654473297.db2.gz DYPVHJYSWAGVRY-GFCCVEGCSA-N 1 0 378.274 2.196 20 0 GEADRO CC(C)(C)n1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)n1 ZINC000856253122 654473299 /nfs/dbraw/zinc/47/32/99/654473299.db2.gz GCQFVZZIQWMKEK-CYBMUJFWSA-N 1 0 399.333 2.072 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)c2cnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000906798805 654473343 /nfs/dbraw/zinc/47/33/43/654473343.db2.gz PXPZYQAZYFKTLT-VXGBXAGGSA-N 1 0 378.274 2.242 20 0 GEADRO O=C(c1sc(N2CCCC2)nc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856256248 654473687 /nfs/dbraw/zinc/47/36/87/654473687.db2.gz UVXOXJNVZJCLPJ-CYBMUJFWSA-N 1 0 384.933 2.068 20 0 GEADRO COc1c(F)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000923661012 654474259 /nfs/dbraw/zinc/47/42/59/654474259.db2.gz HOGOWSOFLMUIHO-WPRPVWTQSA-N 1 0 388.358 2.121 20 0 GEADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000923684074 654476500 /nfs/dbraw/zinc/47/65/00/654476500.db2.gz UOPZKNNMZFMTCH-UHFFFAOYSA-N 1 0 379.448 2.059 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923697512 654478305 /nfs/dbraw/zinc/47/83/05/654478305.db2.gz ACBPGJVRABUWGQ-ZJUUUORDSA-N 1 0 395.294 2.202 20 0 GEADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000923697462 654478308 /nfs/dbraw/zinc/47/83/08/654478308.db2.gz QNWWZCDFFCCGMX-KBPBESRZSA-N 1 0 388.917 2.115 20 0 GEADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000923697713 654478394 /nfs/dbraw/zinc/47/83/94/654478394.db2.gz AHSNMTKYMXVEPY-SECBINFHSA-N 1 0 390.328 2.418 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923698030 654478644 /nfs/dbraw/zinc/47/86/44/654478644.db2.gz WLPICNGLODTRMQ-ZDUSSCGKSA-N 1 0 376.906 2.115 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC000923698993 654478669 /nfs/dbraw/zinc/47/86/69/654478669.db2.gz HLUYZBOZVFKWFR-NXEZZACHSA-N 1 0 395.294 2.202 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2nscc2I)C1 ZINC000906847595 654479188 /nfs/dbraw/zinc/47/91/88/654479188.db2.gz BSQLGWYVXXAAJF-VIFPVBQESA-N 1 0 379.267 2.304 20 0 GEADRO Cn1cc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c(I)n1 ZINC000894475153 654479274 /nfs/dbraw/zinc/47/92/74/654479274.db2.gz KURILIAXGXYMJT-TZMCWYRMSA-N 1 0 375.254 2.320 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923702414 654479327 /nfs/dbraw/zinc/47/93/27/654479327.db2.gz KXSAFACGGYBCIR-KGLIPLIRSA-N 1 0 390.933 2.361 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2nscc2I)C1 ZINC000906848136 654479283 /nfs/dbraw/zinc/47/92/83/654479283.db2.gz TWILGUILDBBXFO-SECBINFHSA-N 1 0 379.267 2.162 20 0 GEADRO O=C(Nc1cc(Cl)cc(Cl)c1F)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000873900442 654479433 /nfs/dbraw/zinc/47/94/33/654479433.db2.gz OFVTVIOIXSTNOF-NSHDSACASA-N 1 0 392.258 2.034 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923704427 654479595 /nfs/dbraw/zinc/47/95/95/654479595.db2.gz SQNWGHRRYUTRGS-IHRRRGAJSA-N 1 0 390.933 2.359 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC[C@@H]1C[NH3+] ZINC000923704032 654479639 /nfs/dbraw/zinc/47/96/39/654479639.db2.gz QVDKAZZSHCTSOY-RKDXNWHRSA-N 1 0 383.258 2.333 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C[C@H](C)[NH2+]1 ZINC000856409059 654479861 /nfs/dbraw/zinc/47/98/61/654479861.db2.gz BQWXBFISKHIPNX-QWHCGFSZSA-N 1 0 385.917 2.092 20 0 GEADRO Cn1cc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c(I)n1 ZINC000894504258 654481225 /nfs/dbraw/zinc/48/12/25/654481225.db2.gz MNOKIBBORJLMKR-OAHLLOKOSA-N 1 0 385.249 2.412 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1Br ZINC000923732929 654481348 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TZTAQBCJEORLPJ-GHMZBOCLSA-N 1 0 375.416 2.394 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C[C@@H]1[NH3+] ZINC000927853432 654617844 /nfs/dbraw/zinc/61/78/44/654617844.db2.gz PMOGSFCHVLXAGC-ZDUSSCGKSA-N 1 0 391.269 2.132 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1OC)C(C)C ZINC000927864164 654618167 /nfs/dbraw/zinc/61/81/67/654618167.db2.gz YODWOAYTHHXKKR-UHFFFAOYSA-N 1 0 386.290 2.161 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1ccc(F)c(Br)c1F)C(C)C ZINC000927865650 654618465 /nfs/dbraw/zinc/61/84/65/654618465.db2.gz WTUAWTIAICOBAA-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[C@H]1C[NH3+] ZINC000927889333 654620017 /nfs/dbraw/zinc/62/00/17/654620017.db2.gz CVIFYSZTMAKNJL-UWVGGRQHSA-N 1 0 375.803 2.323 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[C@@H]1C[NH3+] ZINC000927889526 654620027 /nfs/dbraw/zinc/62/00/27/654620027.db2.gz GCRVOHJIAGJYIW-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000927889801 654620034 /nfs/dbraw/zinc/62/00/34/654620034.db2.gz JGRIGZAETXNSDE-NEPJUHHUSA-N 1 0 398.301 2.148 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC[C@H]1C[NH3+] ZINC000927891720 654620421 /nfs/dbraw/zinc/62/04/21/654620421.db2.gz PPZDHONHXSACOQ-BDAKNGLRSA-N 1 0 390.228 2.109 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])[C@H](C)C3)cc2s1 ZINC000927893798 654620742 /nfs/dbraw/zinc/62/07/42/654620742.db2.gz PCUFKRMISNPFJU-GHMZBOCLSA-N 1 0 378.523 2.400 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000927895133 654620979 /nfs/dbraw/zinc/62/09/79/654620979.db2.gz RWJGXPSFRZABTC-NEPJUHHUSA-N 1 0 398.301 2.148 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000908404260 654626252 /nfs/dbraw/zinc/62/62/52/654626252.db2.gz UBQQLVKSNCJWFR-QGPMSJSTSA-N 1 0 381.314 2.295 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(Cl)ccc1-n1cncn1 ZINC000928080874 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JUSOVVRJLZASNN-CYBMUJFWSA-N 1 0 381.523 2.424 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000929124838 654672228 /nfs/dbraw/zinc/67/22/28/654672228.db2.gz LPJYJKTVETYPCY-CHWSQXEVSA-N 1 0 386.480 2.262 20 0 GEADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000909807160 654676514 /nfs/dbraw/zinc/67/65/14/654676514.db2.gz RPYMJTRGUKCFRH-UHFFFAOYSA-N 1 0 386.290 2.123 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(CC(F)(F)F)C1=O)c1cccs1 ZINC000929336699 654679882 /nfs/dbraw/zinc/67/98/82/654679882.db2.gz SDUIDJIGEJMLSO-NEPJUHHUSA-N 1 0 377.432 2.268 20 0 GEADRO COC(=O)c1ccc(Br)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000929798043 654692229 /nfs/dbraw/zinc/69/22/29/654692229.db2.gz YWWKFPLFJKKUTQ-AWEZNQCLSA-N 1 0 397.313 2.390 20 0 GEADRO CS(=O)(=O)N1CC(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)C1 ZINC000929824457 654692720 /nfs/dbraw/zinc/69/27/20/654692720.db2.gz KMZWFQSEKSCDMQ-GOSISDBHSA-N 1 0 380.535 2.175 20 0 GEADRO COc1cc(Br)c(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OC ZINC000929915082 654694708 /nfs/dbraw/zinc/69/47/08/654694708.db2.gz CCFDHUYHFCJMPH-PHIMTYICSA-N 1 0 384.274 2.492 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2csc(I)n2)[C@H](C)C1 ZINC000910272491 654694916 /nfs/dbraw/zinc/69/49/16/654694916.db2.gz XTSFVOMYBQFDBS-SECBINFHSA-N 1 0 379.267 2.304 20 0 GEADRO O=C(Nc1ccccc1Br)C1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929952640 654695935 /nfs/dbraw/zinc/69/59/35/654695935.db2.gz YVNSNRANXWSKOD-MRXNPFEDSA-N 1 0 397.313 2.376 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccsc1 ZINC000929998380 654696950 /nfs/dbraw/zinc/69/69/50/654696950.db2.gz BNQUYTSXSHCQEX-QWHCGFSZSA-N 1 0 377.432 2.268 20 0 GEADRO Cc1cc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cnc1Br ZINC000930073033 654698646 /nfs/dbraw/zinc/69/86/46/654698646.db2.gz WIRKUYOCLZJDED-OAHLLOKOSA-N 1 0 381.318 2.067 20 0 GEADRO CC[C@@H]([NH2+]CC[S@](=O)C(F)(F)F)c1ccccc1OCC(=O)N(C)C ZINC000930199231 654701807 /nfs/dbraw/zinc/70/18/07/654701807.db2.gz BTACUXLQTXEQFJ-SHZVTRLKSA-N 1 0 380.432 2.463 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000930203734 654701837 /nfs/dbraw/zinc/70/18/37/654701837.db2.gz DSICKWXIEMBABR-UHFFFAOYSA-N 1 0 395.345 2.479 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCS1 ZINC000930338416 654706424 /nfs/dbraw/zinc/70/64/24/654706424.db2.gz ZPVMADDRVDTAEY-UHOFOFEASA-N 1 0 383.945 2.459 20 0 GEADRO Cn1cc(Br)c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1=O ZINC000930338367 654706434 /nfs/dbraw/zinc/70/64/34/654706434.db2.gz YIHJZHXPPSWYQV-AWEZNQCLSA-N 1 0 392.297 2.051 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000930547780 654712947 /nfs/dbraw/zinc/71/29/47/654712947.db2.gz XECQDTOVQXRLSU-MBNYWOFBSA-N 1 0 379.415 2.495 20 0 GEADRO COc1cc(Br)cc(NC(=O)N2CCN(C)CC[N@H+](C)CC2)c1 ZINC000930605863 654714843 /nfs/dbraw/zinc/71/48/43/654714843.db2.gz WBXLPRQVCRBSMQ-UHFFFAOYSA-N 1 0 385.306 2.169 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911030441 654715741 /nfs/dbraw/zinc/71/57/41/654715741.db2.gz WODQCPXMZOLOPO-XPKDYRNWSA-N 1 0 396.329 2.130 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1)C(C)C ZINC000911029232 654715782 /nfs/dbraw/zinc/71/57/82/654715782.db2.gz LWMSSGBTKRKEBZ-AWEZNQCLSA-N 1 0 398.345 2.343 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc(=O)[nH]cc2Br)C[C@H](C)O1 ZINC000930677716 654716715 /nfs/dbraw/zinc/71/67/15/654716715.db2.gz SAHLFNPZGRZASH-FRRDWIJNSA-N 1 0 398.301 2.264 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000930674232 654716738 /nfs/dbraw/zinc/71/67/38/654716738.db2.gz GRXBARNHFGMIPM-BXUZGUMPSA-N 1 0 378.270 2.228 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)NCc1ccc(Br)cc1Cl)C(C)C ZINC000911078041 654716714 /nfs/dbraw/zinc/71/67/14/654716714.db2.gz QGGGXPHPGWMICT-UHFFFAOYSA-N 1 0 390.709 2.175 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1Br ZINC000930702032 654717466 /nfs/dbraw/zinc/71/74/66/654717466.db2.gz ICSFDICLZZLLMA-YGRLFVJLSA-N 1 0 382.258 2.404 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911134714 654717966 /nfs/dbraw/zinc/71/79/66/654717966.db2.gz QYKHLKAHXLUVDK-MBNYWOFBSA-N 1 0 386.323 2.484 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000911154775 654718404 /nfs/dbraw/zinc/71/84/04/654718404.db2.gz DSWPNFPMHRCNCT-BYCMXARLSA-N 1 0 384.307 2.396 20 0 GEADRO Cc1cc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cnc1Br ZINC000930779936 654719561 /nfs/dbraw/zinc/71/95/61/654719561.db2.gz SEFKVWMSCJUQQP-UONOGXRCSA-N 1 0 383.290 2.215 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(Br)cn(C4CC4)c3=O)[C@@H]2C1 ZINC000911302527 654721686 /nfs/dbraw/zinc/72/16/86/654721686.db2.gz ORTXKRWNQKGHDM-XHDPSFHLSA-N 1 0 380.286 2.112 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911308038 654721991 /nfs/dbraw/zinc/72/19/91/654721991.db2.gz NFGITVKPLQPRCH-CABCVRRESA-N 1 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ZINC000911492533 654724904 /nfs/dbraw/zinc/72/49/04/654724904.db2.gz GDMUVMXBLLGQNX-MAZHCROVSA-N 1 0 381.929 2.200 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000911492466 654724939 /nfs/dbraw/zinc/72/49/39/654724939.db2.gz DIIPGYFFFZEYTL-MAZHCROVSA-N 1 0 394.313 2.356 20 0 GEADRO CN(C(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000911503633 654725110 /nfs/dbraw/zinc/72/51/10/654725110.db2.gz CGIQBELMICXBME-GFCCVEGCSA-N 1 0 398.326 2.052 20 0 GEADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000911544804 654725895 /nfs/dbraw/zinc/72/58/95/654725895.db2.gz DVWZPLNZMCPTAW-QKPAOTATSA-N 1 0 392.297 2.122 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911557713 654726094 /nfs/dbraw/zinc/72/60/94/654726094.db2.gz PYGOWIYEROSITK-LBPRGKRZSA-N 1 0 388.331 2.117 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2SC(F)(F)F)C1 ZINC000911575269 654726825 /nfs/dbraw/zinc/72/68/25/654726825.db2.gz IRAPTSIAKWTNEG-NSHDSACASA-N 1 0 375.416 2.112 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2SC(F)(F)F)C1 ZINC000911575268 654726910 /nfs/dbraw/zinc/72/69/10/654726910.db2.gz IRAPTSIAKWTNEG-LLVKDONJSA-N 1 0 375.416 2.112 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2SC(F)(F)F)CC[C@H]1[NH3+] ZINC000911575227 654726915 /nfs/dbraw/zinc/72/69/15/654726915.db2.gz GYBXDBNKGHCEGT-ZYHUDNBSSA-N 1 0 375.416 2.110 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccccc2SC(F)(F)F)C1 ZINC000911575208 654726922 /nfs/dbraw/zinc/72/69/22/654726922.db2.gz GIJZNNGXZHEMOS-PWSUYJOCSA-N 1 0 375.416 2.110 20 0 GEADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2nscc2I)C1(C)C ZINC000911581569 654727156 /nfs/dbraw/zinc/72/71/56/654727156.db2.gz ZDDORFTZZBIYIK-DTWKUNHWSA-N 1 0 379.267 2.206 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cccn3ncc(Br)c13)CCO2 ZINC000911594559 654727327 /nfs/dbraw/zinc/72/73/27/654727327.db2.gz GLSJULMBLYTGPE-UHFFFAOYSA-N 1 0 393.285 2.034 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCC(F)CC1 ZINC000931058348 654727978 /nfs/dbraw/zinc/72/79/78/654727978.db2.gz XBGSUHVDPFTJDP-LMPOIIKSSA-N 1 0 378.554 2.494 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000911632916 654728370 /nfs/dbraw/zinc/72/83/70/654728370.db2.gz DKWVOMPGFXHOEZ-WCQYABFASA-N 1 0 380.286 2.333 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)c1cc(Br)cnc1Br ZINC000911672532 654729735 /nfs/dbraw/zinc/72/97/35/654729735.db2.gz LLAMJZKEKVIVDO-UHFFFAOYSA-N 1 0 377.080 2.336 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000931117735 654729915 /nfs/dbraw/zinc/72/99/15/654729915.db2.gz PNPNGFVXEHBIQE-LBPRGKRZSA-N 1 0 380.290 2.342 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C[C@H]2c3cc(Br)ccc3NC2=O)CC1 ZINC000911753374 654731147 /nfs/dbraw/zinc/73/11/47/654731147.db2.gz NYFXNGJHYXWKHS-YGRLFVJLSA-N 1 0 380.286 2.461 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C[C@@H]2c3cccc(Br)c3NC2=O)CC1 ZINC000911752211 654731258 /nfs/dbraw/zinc/73/12/58/654731258.db2.gz BFLJHSKVJJVAMG-ZWNOBZJWSA-N 1 0 380.286 2.461 20 0 GEADRO OC[C@]1([NH2+]C[C@@H]2C[C@H]3COC[C@@H]3O2)CCc2cc(Br)ccc2C1 ZINC000931175045 654731894 /nfs/dbraw/zinc/73/18/94/654731894.db2.gz CVZUYARDZGBBEP-DKIMLUQUSA-N 1 0 382.298 2.062 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000911776621 654731938 /nfs/dbraw/zinc/73/19/38/654731938.db2.gz ARVYJXSLOTUHQP-AWEZNQCLSA-N 1 0 380.286 2.333 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)cnc2Br)CC[C@@H]1[NH3+] ZINC000911818321 654732988 /nfs/dbraw/zinc/73/29/88/654732988.db2.gz KWZOBFDBURHBJN-XCBNKYQSSA-N 1 0 377.080 2.416 20 0 GEADRO Cc1c(C(=O)N(C)CC(C)(C)C[NH3+])nnn1-c1ccccc1Br ZINC000911863699 654734532 /nfs/dbraw/zinc/73/45/32/654734532.db2.gz BOXCKZLSTGTKJW-UHFFFAOYSA-N 1 0 380.290 2.395 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(Br)cnc1Br ZINC000911869638 654734594 /nfs/dbraw/zinc/73/45/94/654734594.db2.gz YYLLVQJKHHKZKR-SECBINFHSA-N 1 0 377.080 2.431 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](N)c1ccccc1I ZINC000911867142 654734605 /nfs/dbraw/zinc/73/46/05/654734605.db2.gz GEFDOLOLMBGTNM-ZIAGYGMSSA-N 1 0 389.281 2.123 20 0 GEADRO CCOc1ccc([C@]2(C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)CC2(Cl)Cl)cc1 ZINC000911879348 654735036 /nfs/dbraw/zinc/73/50/36/654735036.db2.gz DQMWQFDHPKBITF-VMGRFDJRSA-N 1 0 387.307 2.475 20 0 GEADRO O=C(Nc1ccc(I)cc1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911926068 654736382 /nfs/dbraw/zinc/73/63/82/654736382.db2.gz NQRBMZZXVKQKBI-AWEZNQCLSA-N 1 0 385.205 2.128 20 0 GEADRO COCCN(CCOC)C(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000911926885 654736393 /nfs/dbraw/zinc/73/63/93/654736393.db2.gz FUITVGGLFPUSSN-UHFFFAOYSA-N 1 0 399.329 2.192 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911941855 654736928 /nfs/dbraw/zinc/73/69/28/654736928.db2.gz VYDHZQAAZSWEOS-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000911940789 654736948 /nfs/dbraw/zinc/73/69/48/654736948.db2.gz WGXTVVGQBPUYDN-UHFFFAOYSA-N 1 0 377.229 2.256 20 0 GEADRO O=C(Nc1cccc(I)c1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911944166 654737159 /nfs/dbraw/zinc/73/71/59/654737159.db2.gz YYEOIKPOTYCGRW-CQSZACIVSA-N 1 0 385.205 2.128 20 0 GEADRO O=C(Nc1cccc(I)c1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911944165 654737188 /nfs/dbraw/zinc/73/71/88/654737188.db2.gz YYEOIKPOTYCGRW-AWEZNQCLSA-N 1 0 385.205 2.128 20 0 GEADRO C[NH+]1C[C@@]2(C)CN(Cc3nnnn3-c3ccccc3Br)C[C@]2(C)C1 ZINC000931305294 654737513 /nfs/dbraw/zinc/73/75/13/654737513.db2.gz CBIAXDPESUKCOS-IRXDYDNUSA-N 1 0 391.317 2.198 20 0 GEADRO C[N@@H+]1C[C@@]2(C)CN(C[C@@H](O)COc3ccc(Br)cc3)C[C@@]2(C)C1 ZINC000931305569 654737778 /nfs/dbraw/zinc/73/77/78/654737778.db2.gz ZOISXJWYRRYXHC-NXHRZFHOSA-N 1 0 383.330 2.462 20 0 GEADRO O=C(Nc1nnc(SCc2ccccc2)s1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911970503 654738224 /nfs/dbraw/zinc/73/82/24/654738224.db2.gz HEEOUMNUEACPGB-DYVFJYSZSA-N 1 0 376.507 2.395 20 0 GEADRO Cc1ccccc1CN(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912004044 654739435 /nfs/dbraw/zinc/73/94/35/654739435.db2.gz DFGDTVWTCMXWCR-UHFFFAOYSA-N 1 0 378.270 2.150 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000912040685 654740546 /nfs/dbraw/zinc/74/05/46/654740546.db2.gz QCASFBUCMBGKML-PXAZEXFGSA-N 1 0 380.286 2.297 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1Br ZINC000931406794 654741306 /nfs/dbraw/zinc/74/13/06/654741306.db2.gz QOPZYLMLMYWXDE-QMTHXVAHSA-N 1 0 395.301 2.413 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931424543 654742089 /nfs/dbraw/zinc/74/20/89/654742089.db2.gz BACJMXVLVQJMPU-GOEBONIOSA-N 1 0 380.330 2.291 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931486647 654743866 /nfs/dbraw/zinc/74/38/66/654743866.db2.gz UTUBHSLYKWLDGB-ZDUSSCGKSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@H](NC(=O)CN1CCC(O)(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000931487664 654743904 /nfs/dbraw/zinc/74/39/04/654743904.db2.gz FTPLOKXBTSSALL-AWEZNQCLSA-N 1 0 398.345 2.015 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931486794 654743914 /nfs/dbraw/zinc/74/39/14/654743914.db2.gz KYQCAECDDJJQLZ-CYBMUJFWSA-N 1 0 384.318 2.165 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@H](c1nccs1)C(F)(F)F ZINC000931556583 654746586 /nfs/dbraw/zinc/74/65/86/654746586.db2.gz ABGGTZAWJKEHEN-NWDGAFQWSA-N 1 0 378.420 2.299 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000931647401 654750841 /nfs/dbraw/zinc/75/08/41/654750841.db2.gz FEKRJAKCVHBNBY-UHFFFAOYSA-N 1 0 379.262 2.194 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CCc3cc(F)c(F)cc32)c1=O ZINC000912359637 654750985 /nfs/dbraw/zinc/75/09/85/654750985.db2.gz UDKNAYLQRGPZPT-UHFFFAOYSA-N 1 0 398.207 2.051 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000931663800 654751957 /nfs/dbraw/zinc/75/19/57/654751957.db2.gz OCEZFZXMXODWRY-OCCSQVGLSA-N 1 0 380.286 2.428 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000931664777 654752012 /nfs/dbraw/zinc/75/20/12/654752012.db2.gz VCJHKTCIHZBSMH-YPMHNXCESA-N 1 0 380.286 2.428 20 0 GEADRO COC1(OC)CCOC[C@H]1[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000931675523 654753035 /nfs/dbraw/zinc/75/30/35/654753035.db2.gz PIOVZBQSHIQGJC-CQSZACIVSA-N 1 0 378.238 2.335 20 0 GEADRO O[C@@H](CCC1(O)CCC1)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000931685653 654753333 /nfs/dbraw/zinc/75/33/33/654753333.db2.gz SOMLJCNLNNSIMR-XYJFISCASA-N 1 0 384.314 2.445 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CC[C@H](c3ccccc3)C2)c1=O ZINC000912442737 654754369 /nfs/dbraw/zinc/75/43/69/654754369.db2.gz QBZMTJPQINCHJR-AWEZNQCLSA-N 1 0 390.281 2.199 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1nnnn1-c1ccccc1Br ZINC000931727623 654754628 /nfs/dbraw/zinc/75/46/28/654754628.db2.gz VRWTWPOYLXFCRX-QWHCGFSZSA-N 1 0 377.290 2.093 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1c(F)cc(I)cc1F ZINC000931732388 654754928 /nfs/dbraw/zinc/75/49/28/654754928.db2.gz JFCSUHANUJSUQR-MRVPVSSYSA-N 1 0 381.164 2.395 20 0 GEADRO [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1=O ZINC000912464191 654755427 /nfs/dbraw/zinc/75/54/27/654755427.db2.gz QBBNEEWGOBFMDU-HZPDHXFCSA-N 1 0 394.313 2.310 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1cc(C(F)(F)F)ccc1Br ZINC000912606429 654760601 /nfs/dbraw/zinc/76/06/01/654760601.db2.gz CRHUEFLIBSNLAD-UHFFFAOYSA-N 1 0 383.208 2.464 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000912610633 654760979 /nfs/dbraw/zinc/76/09/79/654760979.db2.gz VQRUSUYZMFDLMK-UHFFFAOYSA-N 1 0 379.551 2.324 20 0 GEADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ncc(Br)cn2)cc1 ZINC000931898689 654761274 /nfs/dbraw/zinc/76/12/74/654761274.db2.gz DDJNRHZGDMLJJX-UHFFFAOYSA-N 1 0 393.285 2.500 20 0 GEADRO O=C1[C@@H]([N@@H+]2CC[C@H](C3OCCO3)C2)CCN1c1cccc(Br)c1 ZINC000932000303 654763868 /nfs/dbraw/zinc/76/38/68/654763868.db2.gz BYBHROXSIAFFPI-WFASDCNBSA-N 1 0 381.270 2.249 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000932042007 654764685 /nfs/dbraw/zinc/76/46/85/654764685.db2.gz HTNYKLYESCEROW-UHFFFAOYSA-N 1 0 397.269 2.206 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cnn2cccc(Br)c12 ZINC000932034853 654764788 /nfs/dbraw/zinc/76/47/88/654764788.db2.gz QSDDEOUVOJVLEC-CYBMUJFWSA-N 1 0 395.301 2.280 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cnn2cccc(Br)c12 ZINC000932034854 654764859 /nfs/dbraw/zinc/76/48/59/654764859.db2.gz QSDDEOUVOJVLEC-ZDUSSCGKSA-N 1 0 395.301 2.280 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1ccc(Br)cc1=O ZINC000912803292 654768903 /nfs/dbraw/zinc/76/89/03/654768903.db2.gz NIVJALNGPDJARU-DZGCQCFKSA-N 1 0 384.318 2.190 20 0 GEADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000912815873 654769059 /nfs/dbraw/zinc/76/90/59/654769059.db2.gz RDTCMMSPLSEHIA-DOMZBBRYSA-N 1 0 387.933 2.180 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)C1 ZINC000932193983 654769638 /nfs/dbraw/zinc/76/96/38/654769638.db2.gz MXUVFCJDZJSCFZ-GJZGRUSLSA-N 1 0 383.583 2.483 20 0 GEADRO O=C(Nc1ccc2c(c1)SCC(=O)N2)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000932216074 654770618 /nfs/dbraw/zinc/77/06/18/654770618.db2.gz RGUAQYDKBXSAGD-OCCSQVGLSA-N 1 0 378.523 2.432 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)COC[C@H]1CCCO1 ZINC000932212500 654770713 /nfs/dbraw/zinc/77/07/13/654770713.db2.gz SGQKAMXXPIPQFW-SQWLQELKSA-N 1 0 386.286 2.419 20 0 GEADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932249223 654772169 /nfs/dbraw/zinc/77/21/69/654772169.db2.gz ABXJIYFHZRTCMQ-AWEZNQCLSA-N 1 0 384.274 2.003 20 0 GEADRO O=C(c1cccnc1-n1cc(Br)cn1)N1CCC([NH+]2CCC2)CC1 ZINC000912871767 654772216 /nfs/dbraw/zinc/77/22/16/654772216.db2.gz AIECIAOJMUOUMR-UHFFFAOYSA-N 1 0 390.285 2.340 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)N2CCC([NH+]3CCC3)CC2)C(F)(F)F)n1 ZINC000912881444 654772507 /nfs/dbraw/zinc/77/25/07/654772507.db2.gz YDLVRLUULNOGFE-HNNXBMFYSA-N 1 0 377.432 2.288 20 0 GEADRO C[N@@H+]1C[C@H](C(=O)Nc2n[nH]cc2I)[C@@H](c2ccccc2)C1 ZINC000912886826 654772901 /nfs/dbraw/zinc/77/29/01/654772901.db2.gz JPDJKLZZSHQEKK-NEPJUHHUSA-N 1 0 396.232 2.298 20 0 GEADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920049 654774212 /nfs/dbraw/zinc/77/42/12/654774212.db2.gz QAXWPONAEKUVEQ-KBPBESRZSA-N 1 0 392.297 2.109 20 0 GEADRO CCn1c(SCC(=O)N2CC[C@H]([NH+]3CCC3)C2)nnc1-c1cccs1 ZINC000912925689 654774398 /nfs/dbraw/zinc/77/43/98/654774398.db2.gz PNWZBACFWIQRCC-ZDUSSCGKSA-N 1 0 377.539 2.425 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000912938026 654774750 /nfs/dbraw/zinc/77/47/50/654774750.db2.gz UWGYTQMOAUBRNI-HNNXBMFYSA-N 1 0 388.917 2.426 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000913005205 654778365 /nfs/dbraw/zinc/77/83/65/654778365.db2.gz BPNZXOQMKUVQHE-LBPRGKRZSA-N 1 0 382.302 2.407 20 0 GEADRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccnc(Br)c1 ZINC000913077731 654781497 /nfs/dbraw/zinc/78/14/97/654781497.db2.gz CCLXZHUCENHWMI-UHFFFAOYSA-N 1 0 382.302 2.495 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC(Cc2cccc(Br)c2)C1 ZINC000913093033 654782297 /nfs/dbraw/zinc/78/22/97/654782297.db2.gz IAUPUTVMKWGSEJ-KRWDZBQOSA-N 1 0 379.298 2.171 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NCC[NH+]1CCSCC1 ZINC000932617128 654783520 /nfs/dbraw/zinc/78/35/20/654783520.db2.gz SXVJTKOKCBQFGF-LBPRGKRZSA-N 1 0 398.326 2.040 20 0 GEADRO COc1cc(Br)cc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000932623493 654783816 /nfs/dbraw/zinc/78/38/16/654783816.db2.gz YWDPRECCFXABSN-HNNXBMFYSA-N 1 0 396.329 2.356 20 0 GEADRO Cc1cc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)oc1Br ZINC000932693852 654785696 /nfs/dbraw/zinc/78/56/96/654785696.db2.gz CXPTWIKVQWKFHI-UHFFFAOYSA-N 1 0 398.301 2.121 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnc(Br)c(C)c2)CC1 ZINC000932715100 654786353 /nfs/dbraw/zinc/78/63/53/654786353.db2.gz BNZJDKPDNUECTR-ZDUSSCGKSA-N 1 0 383.334 2.156 20 0 GEADRO C[NH+](C)C1(C)CCN(C(=O)c2csc(I)n2)CC1 ZINC000913390705 654790164 /nfs/dbraw/zinc/79/01/64/654790164.db2.gz XFCKPOYBUMLHQO-UHFFFAOYSA-N 1 0 379.267 2.304 20 0 GEADRO Cc1ncc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)c1Br ZINC000932786768 654790362 /nfs/dbraw/zinc/79/03/62/654790362.db2.gz WXRITMVWJWQPIC-QWHCGFSZSA-N 1 0 383.290 2.446 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000913412448 654791044 /nfs/dbraw/zinc/79/10/44/654791044.db2.gz UBNKGTFEQBCXNL-UHFFFAOYSA-N 1 0 392.352 2.396 20 0 GEADRO C[C@H]1CN(CC[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)CCO1 ZINC000932818199 654792212 /nfs/dbraw/zinc/79/22/12/654792212.db2.gz QBZNUCYBKLUZHX-MAUKXSAKSA-N 1 0 383.330 2.453 20 0 GEADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc(Br)c(F)c1F)CC2 ZINC000932830324 654792671 /nfs/dbraw/zinc/79/26/71/654792671.db2.gz BKYAFVYMFZOIAX-NSHDSACASA-N 1 0 389.240 2.190 20 0 GEADRO O=C1NC[C@H](O)CC12CC[NH+](CCCc1ccccc1Br)CC2 ZINC000932832513 654792838 /nfs/dbraw/zinc/79/28/38/654792838.db2.gz GBNGJNVHZOLDBV-OAHLLOKOSA-N 1 0 381.314 2.345 20 0 GEADRO CCO[C@H](CNC(=O)Nc1cnc(OC)c(Br)c1C)C[NH+](C)C ZINC000932959693 654798326 /nfs/dbraw/zinc/79/83/26/654798326.db2.gz CPPCRLFIRZXPHP-LLVKDONJSA-N 1 0 389.294 2.249 20 0 GEADRO CN1C(=O)C[C@@H](C(=O)NC23CC[NH+](CC2)C3)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000913633468 654802404 /nfs/dbraw/zinc/80/24/04/654802404.db2.gz FWJIZBFANRGWRF-MLGOLLRUSA-N 1 0 382.291 2.477 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)CCc2cc(Br)ccc2F)CC1 ZINC000913678913 654804002 /nfs/dbraw/zinc/80/40/02/654804002.db2.gz DFBWJAJEMADCCD-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)CC[C@@H]21 ZINC000913760705 654808040 /nfs/dbraw/zinc/80/80/40/654808040.db2.gz OPBQEBBDHBPLEM-NHYWBVRUSA-N 1 0 380.286 2.112 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnnn3-c3ccccc3Br)CC[C@@H]21 ZINC000913760865 654808186 /nfs/dbraw/zinc/80/81/86/654808186.db2.gz SDFZIQGHTZVBED-JSGCOSHPSA-N 1 0 390.285 2.196 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000913799516 654809947 /nfs/dbraw/zinc/80/99/47/654809947.db2.gz JYGCTTNGHDYTJF-UHFFFAOYSA-N 1 0 375.782 2.442 20 0 GEADRO C[C@H](NC(=O)c1cc(F)cc(Br)c1F)[C@H]1C[N@H+](C)CCN1C ZINC000933388423 654811277 /nfs/dbraw/zinc/81/12/77/654811277.db2.gz SRNACGDJXAUKPH-TVQRCGJNSA-N 1 0 376.245 2.091 20 0 GEADRO CN(C(=O)C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1)c1nccs1 ZINC000933436918 654812944 /nfs/dbraw/zinc/81/29/44/654812944.db2.gz JEPYNANRVZYBPE-INIZCTEOSA-N 1 0 398.326 2.452 20 0 GEADRO CC(C)S(=O)(=O)CC[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438161 654813442 /nfs/dbraw/zinc/81/34/42/654813442.db2.gz SOFZOZAEFAGZHN-OAHLLOKOSA-N 1 0 378.332 2.155 20 0 GEADRO O=C1NCCN1CC1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000933592962 654817689 /nfs/dbraw/zinc/81/76/89/654817689.db2.gz TYUHEBXMLSGFQF-INIZCTEOSA-N 1 0 382.302 2.220 20 0 GEADRO Cn1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(Br)n1 ZINC000913948622 654817917 /nfs/dbraw/zinc/81/79/17/654817917.db2.gz NFSDKJRCPNODNO-AWEZNQCLSA-N 1 0 380.290 2.285 20 0 GEADRO CCO[C@@H](CNC(=O)NCCc1ccc(Br)s1)C[NH+](C)C ZINC000913980341 654820278 /nfs/dbraw/zinc/82/02/78/654820278.db2.gz SECROMSGUGFMML-NSHDSACASA-N 1 0 378.336 2.319 20 0 GEADRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914065633 654824396 /nfs/dbraw/zinc/82/43/96/654824396.db2.gz AIJWGSLLNJQDRQ-YYUOZPCZSA-N 1 0 399.460 2.162 20 0 GEADRO Cn1ncc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1I ZINC000933740721 654824547 /nfs/dbraw/zinc/82/45/47/654824547.db2.gz XCXFZNUDRGJPNJ-UHFFFAOYSA-N 1 0 393.273 2.267 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914077888 654825137 /nfs/dbraw/zinc/82/51/37/654825137.db2.gz AUEMWYAQXRUKEI-STQMWFEESA-N 1 0 384.322 2.406 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cscc3C(F)F)CC2)C1 ZINC000914117055 654827632 /nfs/dbraw/zinc/82/76/32/654827632.db2.gz FCNUPVIVTVSMAQ-GFCCVEGCSA-N 1 0 379.498 2.086 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000914185083 654833434 /nfs/dbraw/zinc/83/34/34/654833434.db2.gz UTYUMQDZXGJNOT-GWCFXTLKSA-N 1 0 379.295 2.490 20 0 GEADRO COc1cc(Br)c(CN2CCN(C)CC[N@H+](C)CC2)cc1OC ZINC000933994983 654833605 /nfs/dbraw/zinc/83/36/05/654833605.db2.gz DBVQIUDPVGFJRF-UHFFFAOYSA-N 1 0 386.334 2.146 20 0 GEADRO O=C(N1CCOCC1)C1([NH2+]Cc2cncc(Br)c2)CCCCC1 ZINC000934058703 654835283 /nfs/dbraw/zinc/83/52/83/654835283.db2.gz LPYJRKSQSBXYIY-UHFFFAOYSA-N 1 0 382.302 2.495 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1cnc(Br)cn1)c1ccc(F)cc1 ZINC000914270947 654840723 /nfs/dbraw/zinc/84/07/23/654840723.db2.gz KILZWWZJMMUYBY-CQSZACIVSA-N 1 0 396.264 2.480 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934267610 654841920 /nfs/dbraw/zinc/84/19/20/654841920.db2.gz CNNBEPAFIRFURR-ULQDDVLXSA-N 1 0 397.313 2.194 20 0 GEADRO O=C(CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)Nc1ccccc1Br ZINC000934268185 654842228 /nfs/dbraw/zinc/84/22/28/654842228.db2.gz STSDGBOPRMDCBY-DLBZAZTESA-N 1 0 396.329 2.309 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934274326 654842504 /nfs/dbraw/zinc/84/25/04/654842504.db2.gz QWOZRLAXLJCXHA-HUUCEWRRSA-N 1 0 383.290 2.215 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000934275494 654842768 /nfs/dbraw/zinc/84/27/68/654842768.db2.gz UGHBDTUBGYUJPW-UHFFFAOYSA-N 1 0 383.290 2.481 20 0 GEADRO Cc1sc(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1C ZINC000914308008 654844090 /nfs/dbraw/zinc/84/40/90/654844090.db2.gz KWXHYFYEDHYHRH-DYVFJYSZSA-N 1 0 385.599 2.320 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cscc2C(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000914308420 654844174 /nfs/dbraw/zinc/84/41/74/654844174.db2.gz QQGLQQHRPIPVBA-OCCSQVGLSA-N 1 0 393.525 2.332 20 0 GEADRO O=C(Nc1c(Br)cnn1C1CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000934366176 654846183 /nfs/dbraw/zinc/84/61/83/654846183.db2.gz HMPSRVMCHYNCQW-ZDUSSCGKSA-N 1 0 398.305 2.043 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2c(Br)cnn2C2CC2)C[C@@H]1[NH+](C)C ZINC000934374489 654848010 /nfs/dbraw/zinc/84/80/10/654848010.db2.gz VMEHOFJZJPXHIF-RYUDHWBXSA-N 1 0 388.335 2.490 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934375918 654848205 /nfs/dbraw/zinc/84/82/05/654848205.db2.gz PBDMMMXRYSETBZ-LBPRGKRZSA-N 1 0 386.294 2.213 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1ccc(Br)cc1 ZINC000934408844 654849051 /nfs/dbraw/zinc/84/90/51/654849051.db2.gz MPEOBPLMAVWZTI-GDBMZVCRSA-N 1 0 386.286 2.117 20 0 GEADRO O=C1[C@H]([NH2+][C@H]2CCOC23CCOCC3)CCN1c1cccc(Br)c1 ZINC000934402484 654849142 /nfs/dbraw/zinc/84/91/42/654849142.db2.gz MNLNMTUCMJCNFV-CVEARBPZSA-N 1 0 395.297 2.482 20 0 GEADRO C[C@@](CO)([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000934493174 654850670 /nfs/dbraw/zinc/85/06/70/654850670.db2.gz AFBQDNKVQNFEHG-WFASDCNBSA-N 1 0 376.316 2.071 20 0 GEADRO CC(C)(C)n1nnc(CC[NH2+][C@@](C)(CO)c2cccc(Br)c2)n1 ZINC000934496555 654851002 /nfs/dbraw/zinc/85/10/02/654851002.db2.gz WSUNIQCJGCVPRR-INIZCTEOSA-N 1 0 382.306 2.230 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000934574713 654853366 /nfs/dbraw/zinc/85/33/66/654853366.db2.gz HAHJLUNHWNUVJC-RIEGTJTDSA-N 1 0 392.297 2.474 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cnn2cccc(Br)c12 ZINC000934725728 654856261 /nfs/dbraw/zinc/85/62/61/654856261.db2.gz OTGRQCFJZHIADU-CYBMUJFWSA-N 1 0 393.285 2.080 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2nc(Br)c3ccccn32)CC1 ZINC000934736651 654856381 /nfs/dbraw/zinc/85/63/81/654856381.db2.gz REXWKAMEEJATLR-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000915145810 654863756 /nfs/dbraw/zinc/86/37/56/654863756.db2.gz IAUVJOVYKXTZEO-UHFFFAOYSA-N 1 0 385.555 2.266 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)cn3ncnc23)C1 ZINC000934952877 654868035 /nfs/dbraw/zinc/86/80/35/654868035.db2.gz VWBVPHBUMPNEJG-BXUZGUMPSA-N 1 0 378.274 2.048 20 0 GEADRO CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000915517565 654872236 /nfs/dbraw/zinc/87/22/36/654872236.db2.gz JXNXYQVWOOUZOW-INIZCTEOSA-N 1 0 382.511 2.046 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935089927 654875084 /nfs/dbraw/zinc/87/50/84/654875084.db2.gz MKTVHAPUBSBJJN-NTZNESFSSA-N 1 0 380.286 2.426 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C[C@H]1CCCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000935093821 654875518 /nfs/dbraw/zinc/87/55/18/654875518.db2.gz WAKPVDCDYDMISZ-CABCVRRESA-N 1 0 380.501 2.169 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)c1cn(-c2ccccc2Br)nn1 ZINC000915648697 654875961 /nfs/dbraw/zinc/87/59/61/654875961.db2.gz JNPRAARIBAKSHR-UHFFFAOYSA-N 1 0 378.274 2.246 20 0 GEADRO Cc1ccc(Br)c(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000935146303 654878645 /nfs/dbraw/zinc/87/86/45/654878645.db2.gz HHPRUFIGYMULDZ-UHFFFAOYSA-N 1 0 393.285 2.418 20 0 GEADRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)oc1Br ZINC000935157615 654879017 /nfs/dbraw/zinc/87/90/17/654879017.db2.gz SWUPGVJNHSWKDS-ZIAGYGMSSA-N 1 0 384.318 2.449 20 0 GEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000915910977 654882544 /nfs/dbraw/zinc/88/25/44/654882544.db2.gz RBDBJRKAJDWWBV-INIZCTEOSA-N 1 0 385.339 2.427 20 0 GEADRO C[NH+](C)CCOCCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000935260511 654884216 /nfs/dbraw/zinc/88/42/16/654884216.db2.gz QRJBEWQDBNWUHR-UHFFFAOYSA-N 1 0 395.301 2.002 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc(=O)[nH]cc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000935367390 654889969 /nfs/dbraw/zinc/88/99/69/654889969.db2.gz LJWPINLOCLVELM-STQMWFEESA-N 1 0 386.315 2.202 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000935438659 654893534 /nfs/dbraw/zinc/89/35/34/654893534.db2.gz IVYTVEZHIDLWTM-ZDUSSCGKSA-N 1 0 380.286 2.428 20 0 GEADRO C[NH+](C)C1(CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CCC1 ZINC000935548646 654899674 /nfs/dbraw/zinc/89/96/74/654899674.db2.gz PCCJJYTWJQBEIS-ZDUSSCGKSA-N 1 0 380.286 2.475 20 0 GEADRO CC[N@H+](CCNC(=O)c1cc(=O)n(C)cc1Br)CCC(F)(F)F ZINC000935639878 654906256 /nfs/dbraw/zinc/90/62/56/654906256.db2.gz RVJZBPQGSWPXCU-UHFFFAOYSA-N 1 0 398.223 2.152 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(F)cc(Br)c2F)C1 ZINC000935681725 654910549 /nfs/dbraw/zinc/91/05/49/654910549.db2.gz WAODOGKTPLLUDX-OAHLLOKOSA-N 1 0 377.229 2.256 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccccc1[S@](=O)C(F)(F)F ZINC000935779532 654916237 /nfs/dbraw/zinc/91/62/37/654916237.db2.gz DICWKHZEBFNEJL-VDBVYFBLSA-N 1 0 380.432 2.137 20 0 GEADRO C[NH+](C)CC1(NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CCC1 ZINC000935800287 654917846 /nfs/dbraw/zinc/91/78/46/654917846.db2.gz PYYBDSGRGGDPAI-GFCCVEGCSA-N 1 0 380.286 2.475 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000935811800 654918345 /nfs/dbraw/zinc/91/83/45/654918345.db2.gz GAHFBGBVAPIZJL-CQSZACIVSA-N 1 0 382.302 2.479 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cc(Br)cnc2Br)CC1 ZINC000935842512 654921210 /nfs/dbraw/zinc/92/12/10/654921210.db2.gz UFUHGMWDMZUMMU-UHFFFAOYSA-N 1 0 393.079 2.362 20 0 GEADRO O=C(N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)C(F)(F)c1cccc(Br)c1 ZINC000935984396 654932004 /nfs/dbraw/zinc/93/20/04/654932004.db2.gz MGSNBAAAMNGXSU-KBPBESRZSA-N 1 0 389.240 2.208 20 0 GEADRO O=C(N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)C(F)(F)c1cccc(Br)c1 ZINC000935984398 654932133 /nfs/dbraw/zinc/93/21/33/654932133.db2.gz MGSNBAAAMNGXSU-UONOGXRCSA-N 1 0 389.240 2.208 20 0 GEADRO COCCCN(C(=O)c1ccc(Br)[nH]c1=O)C1CC[NH+](C)CC1 ZINC000936049864 654935372 /nfs/dbraw/zinc/93/53/72/654935372.db2.gz SSAPKBPOQOSXKK-UHFFFAOYSA-N 1 0 386.290 2.123 20 0 GEADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1Cl)C12CC[NH+](CC1)C2 ZINC000998653864 654952454 /nfs/dbraw/zinc/95/24/54/654952454.db2.gz BKWOZDUSVSTPEO-XBFCOCLRSA-N 1 0 379.913 2.359 20 0 GEADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c(Cl)n1 ZINC001164390051 718823931 /nfs/dbraw/zinc/82/39/31/718823931.db2.gz LOCYLMZCEFLPHV-AAEUAGOBSA-N 1 0 375.803 2.024 20 0 GEADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164400486 718841938 /nfs/dbraw/zinc/84/19/38/718841938.db2.gz YFKILAZJDHCBDQ-OAHLLOKOSA-N 1 0 379.842 2.436 20 0 GEADRO c1ccc(COc2ccc3c(c2)ncnc3N2CCN3CC[NH2+]C[C@@H]3C2)cc1 ZINC001164399974 718843062 /nfs/dbraw/zinc/84/30/62/718843062.db2.gz MLUGTOLHGIOSJB-GOSISDBHSA-N 1 0 375.476 2.303 20 0 GEADRO COc1cccc(Oc2nc(Cl)ncc2N2CCN3CC[NH2+]C[C@H]3C2)c1 ZINC001164399934 718843839 /nfs/dbraw/zinc/84/38/39/718843839.db2.gz KXMXKEDHOXCVKL-ZDUSSCGKSA-N 1 0 375.860 2.025 20 0 GEADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164424283 718915401 /nfs/dbraw/zinc/91/54/01/718915401.db2.gz MPGHDDUJWVHCTG-KRWDZBQOSA-N 1 0 398.841 2.413 20 0 GEADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164423492 718918414 /nfs/dbraw/zinc/91/84/14/718918414.db2.gz HOYWONYRZBDVLQ-KRWDZBQOSA-N 1 0 398.841 2.413 20 0 GEADRO C(c1nc2sc3c(c2c(N2CCC[C@H]4[NH2+]C[C@@H]42)n1)CCCC3)N1CCOCC1 ZINC001164450241 718999402 /nfs/dbraw/zinc/99/94/02/718999402.db2.gz SSYWKALLXKRQKI-CVEARBPZSA-N 1 0 399.564 2.343 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)nc1Cl ZINC001164617108 719012274 /nfs/dbraw/zinc/01/22/74/719012274.db2.gz MIADZXMJRRKEOR-HGNGGELXSA-N 1 0 381.210 2.058 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)cc(Cl)n1 ZINC001164614054 719013075 /nfs/dbraw/zinc/01/30/75/719013075.db2.gz BTKUVSOGPBDOEF-HRDYMLBCSA-N 1 0 381.210 2.058 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cccc(C(=O)OC)n3)CC2)CC1 ZINC001164614026 719021297 /nfs/dbraw/zinc/02/12/97/719021297.db2.gz LSKOVDRFMXWBEZ-UHFFFAOYSA-N 1 0 375.469 2.112 20 0 GEADRO c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2ccc(CN4CCOCC4)cn2)C3)cc1 ZINC001164619727 719043852 /nfs/dbraw/zinc/04/38/52/719043852.db2.gz DQVWDFQZGOLARJ-JTHBVZDNSA-N 1 0 378.520 2.497 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164624660 719132108 /nfs/dbraw/zinc/13/21/08/719132108.db2.gz VHBFHAMZERACPK-AWEZNQCLSA-N 1 0 382.798 2.293 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncc2ccn(S(=O)(=O)c3ccccc3)c2n1 ZINC001164638755 719230840 /nfs/dbraw/zinc/23/08/40/719230840.db2.gz OVVPZWJUMPBTFJ-GJZGRUSLSA-N 1 0 385.493 2.197 20 0 GEADRO c1cnc(N(Cc2noc3c2C[NH2+]CC3)c2ncccc2CN2CCCC2)nc1 ZINC001164632623 719266773 /nfs/dbraw/zinc/26/67/73/719266773.db2.gz AGPKZXLIRKPXMJ-UHFFFAOYSA-N 1 0 391.479 2.439 20 0 GEADRO O=C([C@@H]1C[C@H]2OCC[C@H]2N(c2ncccc2C[NH+]2CCCC2)C1)N1CCCC1 ZINC001164679173 719545877 /nfs/dbraw/zinc/54/58/77/719545877.db2.gz UUJWOMGHAYURKK-VAMGGRTRSA-N 1 0 384.524 2.284 20 0 GEADRO Cn1ncc2c1CN(c1cc(C[NH+](C)C)ccn1)C[C@@H]2COc1cccnc1 ZINC001164685986 719600070 /nfs/dbraw/zinc/60/00/70/719600070.db2.gz NDKJEJFZDOUEBG-QGZVFWFLSA-N 1 0 378.480 2.455 20 0 GEADRO COC(=O)c1cnc2[nH]c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)ccc1-2 ZINC001164683952 719614608 /nfs/dbraw/zinc/61/46/08/719614608.db2.gz LQXOPXMDKANMFN-UHFFFAOYSA-N 1 0 382.468 2.021 20 0 GEADRO CC(C)N(C)Cc1nn(-c2ccc(NC(=O)C(C)(C)C)nn2)c2c1CC[NH2+]C2 ZINC001164681135 719620708 /nfs/dbraw/zinc/62/07/08/719620708.db2.gz BIFNMVXKTXCSGL-UHFFFAOYSA-N 1 0 385.516 2.133 20 0 GEADRO CCOC(=O)/C=C\c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164684700 719628842 /nfs/dbraw/zinc/62/88/42/719628842.db2.gz WSEJRFBOBNTZKZ-CLFYSBASSA-N 1 0 383.496 2.330 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164686019 719731978 /nfs/dbraw/zinc/73/19/78/719731978.db2.gz OFZPJUMUHWCNAG-UHFFFAOYSA-N 1 0 395.507 2.236 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(-c3ccc(OC)cc3)ncn1)CC2 ZINC001164689654 719744140 /nfs/dbraw/zinc/74/41/40/719744140.db2.gz JWQYVCZSUGBOOB-UHFFFAOYSA-N 1 0 395.507 2.333 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164690231 719752035 /nfs/dbraw/zinc/75/20/35/719752035.db2.gz WDIVVEMYUYBQCC-UHFFFAOYSA-N 1 0 387.528 2.226 20 0 GEADRO COC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164694873 719887531 /nfs/dbraw/zinc/88/75/31/719887531.db2.gz GDZVOHZDSFUKKK-UHFFFAOYSA-N 1 0 388.493 2.196 20 0 GEADRO c1cnn(C[C@H]2CC[C@]3(COCCN(c4ncccc4C[NH+]4CCCC4)C3)O2)c1 ZINC001164803155 720052010 /nfs/dbraw/zinc/05/20/10/720052010.db2.gz JFPOLJHYPAUCHB-IRLDBZIGSA-N 1 0 397.523 2.329 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(OC)c(NC(C)C)n1)C2 ZINC001164809765 720066033 /nfs/dbraw/zinc/06/60/33/720066033.db2.gz KBSSWKRSEIJXER-DYESRHJHSA-N 1 0 389.544 2.490 20 0 GEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)ncn1)CC2 ZINC001164710311 720093061 /nfs/dbraw/zinc/09/30/61/720093061.db2.gz IKJSHUZPCGMVAJ-SFHVURJKSA-N 1 0 383.496 2.388 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3nc(C)[nH]c31)C2 ZINC001164815351 720096320 /nfs/dbraw/zinc/09/63/20/720096320.db2.gz YMPDJPCEUSASNE-KUHUBIRLSA-N 1 0 390.919 2.499 20 0 GEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(N(C)C)nn1)CC2 ZINC001164710585 720096397 /nfs/dbraw/zinc/09/63/97/720096397.db2.gz JOTRTSVNIDWSMK-IBGZPJMESA-N 1 0 396.539 2.445 20 0 GEADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1C ZINC001164815888 720109486 /nfs/dbraw/zinc/10/94/86/720109486.db2.gz WXKPKXFBOCOSGL-UWJYYQICSA-N 1 0 388.512 2.146 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC)nc(SC)n1)C2 ZINC001164814419 720114759 /nfs/dbraw/zinc/11/47/59/720114759.db2.gz SKFCJENLWPGZDS-KXBFYZLASA-N 1 0 378.542 2.392 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(C)C)nc(N(C)C)n1)C2 ZINC001164815456 720133667 /nfs/dbraw/zinc/13/36/67/720133667.db2.gz VTGHDVLDNRYHCM-DYESRHJHSA-N 1 0 388.560 2.246 20 0 GEADRO CNC(=O)c1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)ccc1Cl ZINC001164809065 720135798 /nfs/dbraw/zinc/13/57/98/720135798.db2.gz GOMQQMXEIKCNSP-FOIQADDNSA-N 1 0 392.931 2.279 20 0 GEADRO Cc1c[nH]c2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)ccc12 ZINC001164715382 720175096 /nfs/dbraw/zinc/17/50/96/720175096.db2.gz AKHSTLNWIKNGOY-GOSISDBHSA-N 1 0 395.511 2.216 20 0 GEADRO CSc1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164714758 720196892 /nfs/dbraw/zinc/19/68/92/720196892.db2.gz HTXLDWWMZDWHAV-QGZVFWFLSA-N 1 0 388.541 2.148 20 0 GEADRO CCOC(=O)Cc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001164814682 720199999 /nfs/dbraw/zinc/19/99/99/720199999.db2.gz WGYCIFNTJYFXPX-KNQAVFIVSA-N 1 0 387.524 2.372 20 0 GEADRO CCCCc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ncn1 ZINC001164715974 720201845 /nfs/dbraw/zinc/20/18/45/720201845.db2.gz NHYCLUXQDJKIHR-IBGZPJMESA-N 1 0 399.543 2.164 20 0 GEADRO Cc1nc2[nH]ccc2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164812954 720216342 /nfs/dbraw/zinc/21/63/42/720216342.db2.gz NJYMOBIFVWJBGL-UHFFFAOYSA-N 1 0 381.484 2.074 20 0 GEADRO CCN(CC)c1cncc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164812947 720230897 /nfs/dbraw/zinc/23/08/97/720230897.db2.gz KYEAZFGQLYKQHO-UHFFFAOYSA-N 1 0 399.543 2.130 20 0 GEADRO O=C([C@H]1Cn2nccc2CN(c2ccc(C[NH+]3CCCC3)cn2)C1)N1CCCC1 ZINC001164817883 720266995 /nfs/dbraw/zinc/26/69/95/720266995.db2.gz GJTXFPVBIPHCNU-LJQANCHMSA-N 1 0 394.523 2.133 20 0 GEADRO Cc1nc2ccoc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164818733 720287062 /nfs/dbraw/zinc/28/70/62/720287062.db2.gz MMPCEETUKLTKMD-ZWKOTPCHSA-N 1 0 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C[NH2+]Cc1ccccc1NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000122544511 532074148 /nfs/dbraw/zinc/07/41/48/532074148.db2.gz JOQCEYDOQWOMGX-UHFFFAOYSA-N 1 0 380.242 2.472 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000174720183 532075753 /nfs/dbraw/zinc/07/57/53/532075753.db2.gz WTXYDFPDXFHSCQ-ZDUSSCGKSA-N 1 0 398.301 2.153 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CCC[NH2+]CC2)cc1Cl ZINC000122836427 532084100 /nfs/dbraw/zinc/08/41/00/532084100.db2.gz ZWFKMYJWQBGNDD-UHFFFAOYSA-N 1 0 383.695 2.095 20 0 GEADRO CCOC(=O)c1nc(NC[C@@H](O)C[NH+]2CCCCC2)ccc1Br ZINC000603284499 532087885 /nfs/dbraw/zinc/08/78/85/532087885.db2.gz RMVMBJJHFAUFLT-GFCCVEGCSA-N 1 0 386.290 2.280 20 0 GEADRO C[NH+]1CCC(C(=O)NCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000122987449 532089436 /nfs/dbraw/zinc/08/94/36/532089436.db2.gz VSQKKWDSKNBLPP-UHFFFAOYSA-N 1 0 396.329 2.244 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000175314123 532099234 /nfs/dbraw/zinc/09/92/34/532099234.db2.gz XDRJRNQVXJSYHL-VIFPVBQESA-N 1 0 381.424 2.113 20 0 GEADRO CCOC(=O)c1nc(NCCN2CC[N@H+](C)C(C)(C)C2)ccc1Br ZINC000603372712 532092249 /nfs/dbraw/zinc/09/22/49/532092249.db2.gz SZBBHFJWIIGINR-UHFFFAOYSA-N 1 0 399.333 2.459 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1C ZINC000175265955 532095850 /nfs/dbraw/zinc/09/58/50/532095850.db2.gz JNZMHGLFMHXWIZ-ZDUSSCGKSA-N 1 0 391.331 2.147 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000123250790 532096537 /nfs/dbraw/zinc/09/65/37/532096537.db2.gz QKAIHDBGUOKCAS-GHMZBOCLSA-N 1 0 393.303 2.015 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC[N@@H+]1C ZINC000123306918 532097322 /nfs/dbraw/zinc/09/73/22/532097322.db2.gz AQJSEBGBWFGHCC-UONOGXRCSA-N 1 0 385.555 2.087 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000123312711 532097999 /nfs/dbraw/zinc/09/79/99/532097999.db2.gz PQFYBLAGWLJHEF-GHMZBOCLSA-N 1 0 393.303 2.015 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC[N@@H+]1C ZINC000123306699 532098094 /nfs/dbraw/zinc/09/80/94/532098094.db2.gz AQJSEBGBWFGHCC-ZIAGYGMSSA-N 1 0 385.555 2.087 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)CN(C)C(=O)c2ccc(Br)o2)CC[N@@H+]1C ZINC000123518900 532101402 /nfs/dbraw/zinc/10/14/02/532101402.db2.gz CPAUIAYYQNCZLU-RYUDHWBXSA-N 1 0 386.290 2.055 20 0 GEADRO Brc1ccc(-c2nnc(CN3CC[NH+](C4CCOCC4)CC3)o2)o1 ZINC000175468739 532104006 /nfs/dbraw/zinc/10/40/06/532104006.db2.gz HYNRHKMRMYRCNR-UHFFFAOYSA-N 1 0 397.273 2.389 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)CN2CSCC2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123861648 532109670 /nfs/dbraw/zinc/10/96/70/532109670.db2.gz RKJYXTISTZCRCI-SJCJKPOMSA-N 1 0 385.892 2.121 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000124241392 532116654 /nfs/dbraw/zinc/11/66/54/532116654.db2.gz NJFKKARWZREVNA-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO C[N@H+](CCCn1ccnc1)CC(=O)Nc1cccc(I)c1 ZINC000124260495 532118377 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COc1cc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)ccc1Br ZINC000175840096 532116063 /nfs/dbraw/zinc/11/60/63/532116063.db2.gz GUDSLGPCPUCEDR-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1nn(C)c(C)c1NC(=O)CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000125615323 532139416 /nfs/dbraw/zinc/13/94/16/532139416.db2.gz QSOYEWVOVQDGRR-OAHLLOKOSA-N 1 0 395.301 2.403 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CCC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000125588434 532139530 /nfs/dbraw/zinc/13/95/30/532139530.db2.gz WNFVNLCVKTUNJJ-MRXNPFEDSA-N 1 0 382.302 2.181 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000176339240 532134630 /nfs/dbraw/zinc/13/46/30/532134630.db2.gz DMRQJXXPLKQULZ-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000176351803 532135079 /nfs/dbraw/zinc/13/50/79/532135079.db2.gz YGTVXHAVRVPQTN-JQWIXIFHSA-N 1 0 393.709 2.156 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2c(Cl)cccc2Cl)cn1 ZINC000176437349 532137711 /nfs/dbraw/zinc/13/77/11/532137711.db2.gz YELSEPKBDREMOB-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@H]1CC[NH2+]C1 ZINC000126912768 532151993 /nfs/dbraw/zinc/15/19/93/532151993.db2.gz UDRQAJCBIJUMMQ-HNNXBMFYSA-N 1 0 377.286 2.402 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000176919643 532155637 /nfs/dbraw/zinc/15/56/37/532155637.db2.gz HNCFMQQCKYTVJY-UHFFFAOYSA-N 1 0 379.448 2.010 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000127070793 532152534 /nfs/dbraw/zinc/15/25/34/532152534.db2.gz FHGOYEPJBKGUNF-INIZCTEOSA-N 1 0 375.296 2.332 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000127533510 532154714 /nfs/dbraw/zinc/15/47/14/532154714.db2.gz YHADTVLOPUZUPV-GFCCVEGCSA-N 1 0 387.311 2.026 20 0 GEADRO CC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(I)cc2)CC1 ZINC000125745378 532142097 /nfs/dbraw/zinc/14/20/97/532142097.db2.gz SAXMHDZTQNHPJN-GFCCVEGCSA-N 1 0 387.265 2.256 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN(C)[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000125714920 532142116 /nfs/dbraw/zinc/14/21/16/532142116.db2.gz BJIKNGTWLZJXOS-KRWDZBQOSA-N 1 0 398.345 2.015 20 0 GEADRO Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1Br ZINC000176758482 532148362 /nfs/dbraw/zinc/14/83/62/532148362.db2.gz OEYBWFSICQHPBZ-UHFFFAOYSA-N 1 0 394.313 2.138 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000128759617 532167458 /nfs/dbraw/zinc/16/74/58/532167458.db2.gz NQYNLUKZYLGDKE-KCPJHIHWSA-N 1 0 380.286 2.188 20 0 GEADRO Cc1nc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)ccc1Br ZINC000128774657 532168450 /nfs/dbraw/zinc/16/84/50/532168450.db2.gz VNRWJUJHBZUBKZ-UHFFFAOYSA-N 1 0 385.306 2.463 20 0 GEADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000177363141 532169704 /nfs/dbraw/zinc/16/97/04/532169704.db2.gz KQQABBXLALAFOE-ZDUSSCGKSA-N 1 0 381.523 2.424 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000176946771 532156753 /nfs/dbraw/zinc/15/67/53/532156753.db2.gz RUTXTJDMSAJZRP-QGZVFWFLSA-N 1 0 390.615 2.410 20 0 GEADRO C[C@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[NH+]1CCCCCC1 ZINC000127695578 532156919 /nfs/dbraw/zinc/15/69/19/532156919.db2.gz KDBXJUMAGYCXJU-GFCCVEGCSA-N 1 0 393.962 2.061 20 0 GEADRO C[N@H+](CCOc1ccc(Cl)cc1)CCC(=O)NC(=O)NCC(F)(F)F ZINC000176986621 532157317 /nfs/dbraw/zinc/15/73/17/532157317.db2.gz UYJYNFDQKRDFNS-UHFFFAOYSA-N 1 0 381.782 2.429 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000177139616 532162346 /nfs/dbraw/zinc/16/23/46/532162346.db2.gz NXMKCFHCZYENHZ-UHFFFAOYSA-N 1 0 384.318 2.214 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)/C=C/c2c(Cl)nc3sccn23)CC1 ZINC000177142870 532162495 /nfs/dbraw/zinc/16/24/95/532162495.db2.gz HNXVPZXYLAGOFI-ONEGZZNKSA-N 1 0 381.933 2.205 20 0 GEADRO C[C@@H](NC(=O)C[NH2+]C1(C(N)=O)CCCCC1)c1ccc(Br)cc1 ZINC000177126063 532162718 /nfs/dbraw/zinc/16/27/18/532162718.db2.gz ZLRPJAJKHJRZST-GFCCVEGCSA-N 1 0 382.302 2.404 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000128229008 532162668 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CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177446649 532171324 /nfs/dbraw/zinc/17/13/24/532171324.db2.gz BHHAIICTCPUZTK-OLZOCXBDSA-N 1 0 387.933 2.193 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177446622 532171664 /nfs/dbraw/zinc/17/16/64/532171664.db2.gz BHHAIICTCPUZTK-STQMWFEESA-N 1 0 387.933 2.193 20 0 GEADRO Cc1cc(NC(=O)CN2CC[C@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000129181840 532174469 /nfs/dbraw/zinc/17/44/69/532174469.db2.gz JPORLKRMYWMADH-OAHLLOKOSA-N 1 0 396.329 2.350 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000177535128 532175319 /nfs/dbraw/zinc/17/53/19/532175319.db2.gz CQUSUFODSCDNHO-ZIAGYGMSSA-N 1 0 385.555 2.135 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178079521 532192551 /nfs/dbraw/zinc/19/25/51/532192551.db2.gz YFGYXBOZRCYZMV-LSDHHAIUSA-N 1 0 397.313 2.397 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178079495 532192684 /nfs/dbraw/zinc/19/26/84/532192684.db2.gz YFGYXBOZRCYZMV-GJZGRUSLSA-N 1 0 397.313 2.397 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000178204110 532195783 /nfs/dbraw/zinc/19/57/83/532195783.db2.gz YKJYOQDRJYHSLF-UHFFFAOYSA-N 1 0 382.404 2.104 20 0 GEADRO CC(C)(C)[N@@H+](CC(N)=O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000131458251 532197971 /nfs/dbraw/zinc/19/79/71/532197971.db2.gz XJEQAZAWKGBQGP-NSHDSACASA-N 1 0 393.709 2.428 20 0 GEADRO CCCN(CC(=O)N(C)Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000178283579 532198186 /nfs/dbraw/zinc/19/81/86/532198186.db2.gz WTJHGALUNQIUOG-LBPRGKRZSA-N 1 0 378.947 2.259 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1ccc(Cl)cc1Cl ZINC000130068383 532189279 /nfs/dbraw/zinc/18/92/79/532189279.db2.gz XLEQYDGWXCEPCC-ZDUSSCGKSA-N 1 0 388.295 2.285 20 0 GEADRO Cn1cc(Br)cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)c1=O ZINC000177983720 532189408 /nfs/dbraw/zinc/18/94/08/532189408.db2.gz GFGQYCKXMBVTOL-UHFFFAOYSA-N 1 0 383.290 2.144 20 0 GEADRO CC[C@H](Cc1ccccc1Br)C(=O)NCCN1CC[NH+](C)CC1 ZINC000131873676 532205447 /nfs/dbraw/zinc/20/54/47/532205447.db2.gz MDILRVKOIGHFLI-OAHLLOKOSA-N 1 0 382.346 2.381 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000178713752 532210775 /nfs/dbraw/zinc/21/07/75/532210775.db2.gz VIJZKIADCBJOEL-LBPRGKRZSA-N 1 0 383.290 2.021 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000178737375 532211398 /nfs/dbraw/zinc/21/13/98/532211398.db2.gz UCKLSVNNHQRPOV-VIFPVBQESA-N 1 0 390.228 2.076 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000132213098 532211584 /nfs/dbraw/zinc/21/15/84/532211584.db2.gz SRWUOUYUELKKIN-LBPRGKRZSA-N 1 0 378.274 2.101 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C1 ZINC000178822239 532214225 /nfs/dbraw/zinc/21/42/25/532214225.db2.gz OSSHNYDQPUABIX-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO CCC[NH+]1CCC(N2CCN(C(=O)NC[C@H]3CSCCS3)CC2)CC1 ZINC000132407408 532214487 /nfs/dbraw/zinc/21/44/87/532214487.db2.gz MOTKBXRSBTVSBL-KRWDZBQOSA-N 1 0 386.631 2.037 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178862076 532214976 /nfs/dbraw/zinc/21/49/76/532214976.db2.gz NMFRGQFHKOAGHR-DOMZBBRYSA-N 1 0 386.901 2.231 20 0 GEADRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178510178 532204209 /nfs/dbraw/zinc/20/42/09/532204209.db2.gz KMQWDSFRENLZDY-CYBMUJFWSA-N 1 0 377.304 2.192 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178516930 532204516 /nfs/dbraw/zinc/20/45/16/532204516.db2.gz ANSONMLZFJYPBR-UHFFFAOYSA-N 1 0 386.901 2.279 20 0 GEADRO Brc1ccc(-c2nnc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)o2)o1 ZINC000178501029 532204553 /nfs/dbraw/zinc/20/45/53/532204553.db2.gz HYDVBXBHFCETEI-LBPRGKRZSA-N 1 0 397.273 2.246 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000133181497 532228835 /nfs/dbraw/zinc/22/88/35/532228835.db2.gz MHFVRHNOWQDQFL-MRVPVSSYSA-N 1 0 380.176 2.393 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000178996835 532219800 /nfs/dbraw/zinc/21/98/00/532219800.db2.gz RRLNJKTYQHOCFF-AWEZNQCLSA-N 1 0 378.897 2.135 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH2+]C)C2)ccc1Cl ZINC000179020631 532220122 /nfs/dbraw/zinc/22/01/22/532220122.db2.gz HPBOEULWGVTOEO-CYBMUJFWSA-N 1 0 387.933 2.052 20 0 GEADRO C[C@@H]1CN(C2CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)CC2)CCO1 ZINC000179125449 532222284 /nfs/dbraw/zinc/22/22/84/532222284.db2.gz SYMWOJIZTWICCH-CYBMUJFWSA-N 1 0 390.908 2.494 20 0 GEADRO CN(C(=O)CCCOc1ccc(I)cc1)[C@@H]1CC[NH2+]C1 ZINC000179113242 532222419 /nfs/dbraw/zinc/22/24/19/532222419.db2.gz BOTQHMVBGNVHBH-CYBMUJFWSA-N 1 0 388.249 2.271 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179651142 532240232 /nfs/dbraw/zinc/24/02/32/532240232.db2.gz LBNBADKHXYNOLH-GFCCVEGCSA-N 1 0 380.290 2.296 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc(Br)c[nH]2)CC1 ZINC000133687128 532240782 /nfs/dbraw/zinc/24/07/82/532240782.db2.gz ZDQDXLMQUFOVTC-OKILXGFUSA-N 1 0 383.334 2.408 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000179730934 532242276 /nfs/dbraw/zinc/24/22/76/532242276.db2.gz QTLXOFKEIZETAA-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179759956 532242577 /nfs/dbraw/zinc/24/25/77/532242577.db2.gz ZABBRODEHLUVGI-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000179760007 532242601 /nfs/dbraw/zinc/24/26/01/532242601.db2.gz YPSGLDZWXDUZEV-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn4cc(Br)cnc34)CC[C@@H]21 ZINC000179840900 532246981 /nfs/dbraw/zinc/24/69/81/532246981.db2.gz XJGRCSSRLISZPA-RISCZKNCSA-N 1 0 378.274 2.048 20 0 GEADRO COc1ccc(Br)cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000134054473 532248659 /nfs/dbraw/zinc/24/86/59/532248659.db2.gz NKUSUFKRTGZJIJ-AWEZNQCLSA-N 1 0 385.302 2.424 20 0 GEADRO Cc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(Br)n1 ZINC000134102235 532249915 /nfs/dbraw/zinc/24/99/15/532249915.db2.gz KHDSRBGYCQGTAW-OAHLLOKOSA-N 1 0 383.334 2.154 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000134158192 532250742 /nfs/dbraw/zinc/25/07/42/532250742.db2.gz JFQXPYJCXLELCK-AWEZNQCLSA-N 1 0 387.293 2.484 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000134139687 532251052 /nfs/dbraw/zinc/25/10/52/532251052.db2.gz PAQVSEAPHSFTIO-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000179941143 532251050 /nfs/dbraw/zinc/25/10/50/532251050.db2.gz DZTSMPGHIKQSLB-UHFFFAOYSA-N 1 0 380.290 2.342 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OC)c(I)c2)C1 ZINC000134134299 532251350 /nfs/dbraw/zinc/25/13/50/532251350.db2.gz LEEPYFBEILNACI-NSHDSACASA-N 1 0 388.249 2.371 20 0 GEADRO Cc1sc2ncc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)c(=O)n2c1C ZINC000179560214 532235970 /nfs/dbraw/zinc/23/59/70/532235970.db2.gz GZCLXYOTVSOXIE-ZDUSSCGKSA-N 1 0 376.507 2.467 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)c(O)c1 ZINC000133482457 532236330 /nfs/dbraw/zinc/23/63/30/532236330.db2.gz UOOODOKKGPMASP-LBPRGKRZSA-N 1 0 383.286 2.385 20 0 GEADRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1cccnc1Br ZINC000179578994 532237418 /nfs/dbraw/zinc/23/74/18/532237418.db2.gz XRAJINONWPGLIS-UHFFFAOYSA-N 1 0 385.306 2.411 20 0 GEADRO CN(C)c1nc2sc(C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2s1 ZINC000179603081 532238343 /nfs/dbraw/zinc/23/83/43/532238343.db2.gz VLXLOIOKEWVKAY-GFCCVEGCSA-N 1 0 382.555 2.391 20 0 GEADRO COc1ccc(C(=O)NCC[NH2+]C(C)(C)C)c(I)c1 ZINC000133560789 532238349 /nfs/dbraw/zinc/23/83/49/532238349.db2.gz DJEFCOVYNFMVCM-UHFFFAOYSA-N 1 0 376.238 2.418 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc2c(c(Br)c1)OCO2 ZINC000179609000 532238464 /nfs/dbraw/zinc/23/84/64/532238464.db2.gz DEGIUKOLFCDVFB-ZDUSSCGKSA-N 1 0 399.285 2.145 20 0 GEADRO C[N@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCCc2ccc(Br)cc21 ZINC000179616661 532238536 /nfs/dbraw/zinc/23/85/36/532238536.db2.gz KWZGWLUMIPPGRF-FUHWJXTLSA-N 1 0 383.330 2.451 20 0 GEADRO CCCN(Cc1cnc2ccc(Br)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000179639075 532239157 /nfs/dbraw/zinc/23/91/57/532239157.db2.gz BNTSHGMAUXKCBQ-ZDUSSCGKSA-N 1 0 386.315 2.496 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179652369 532239746 /nfs/dbraw/zinc/23/97/46/532239746.db2.gz ZIWXYCGLVYDCMD-GFCCVEGCSA-N 1 0 380.290 2.296 20 0 GEADRO COC(=O)[C@H](O)C1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000135372276 532271358 /nfs/dbraw/zinc/27/13/58/532271358.db2.gz BUGUNFKMZFXELB-MRXNPFEDSA-N 1 0 399.285 2.024 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134312792 532254252 /nfs/dbraw/zinc/25/42/52/532254252.db2.gz SLFDKYQWLGSBQG-OAHLLOKOSA-N 1 0 384.293 2.376 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccc(Br)c1I ZINC000134512641 532257166 /nfs/dbraw/zinc/25/71/66/532257166.db2.gz JIHQQPCZYGGTNK-UHFFFAOYSA-N 1 0 397.054 2.345 20 0 GEADRO CN(CC[NH2+]C1CCN(CCC(F)(F)F)CC1)S(=O)(=O)c1cccs1 ZINC000180180204 532259758 /nfs/dbraw/zinc/25/97/58/532259758.db2.gz GKTWGVHQBLSGKZ-UHFFFAOYSA-N 1 0 399.504 2.375 20 0 GEADRO CC[NH+](CC)CC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000134642901 532260266 /nfs/dbraw/zinc/26/02/66/532260266.db2.gz SRKTVRXKLUKTDF-UHFFFAOYSA-N 1 0 384.318 2.244 20 0 GEADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000180227166 532261576 /nfs/dbraw/zinc/26/15/76/532261576.db2.gz ZEHRGQFWYURYND-UHFFFAOYSA-N 1 0 391.269 2.179 20 0 GEADRO C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000134708448 532262291 /nfs/dbraw/zinc/26/22/91/532262291.db2.gz AOLTVGNOVZCKJV-HUUCEWRRSA-N 1 0 387.571 2.083 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(F)c(F)c(F)c1 ZINC000180748808 532279531 /nfs/dbraw/zinc/27/95/31/532279531.db2.gz GLFYMBOWBSIASU-WCQYABFASA-N 1 0 380.432 2.243 20 0 GEADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc2c(c1)OCO2 ZINC000180801354 532281738 /nfs/dbraw/zinc/28/17/38/532281738.db2.gz BQOAGJZGUYZNPE-NSHDSACASA-N 1 0 376.425 2.330 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000180819402 532282315 /nfs/dbraw/zinc/28/23/15/532282315.db2.gz CBXSTJNSTJFKKJ-MNOVXSKESA-N 1 0 377.304 2.189 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000181034464 532289190 /nfs/dbraw/zinc/28/91/90/532289190.db2.gz CZNNXXSPBRMSGU-WMLDXEAASA-N 1 0 396.329 2.033 20 0 GEADRO CC[C@H](CO)[NH+]1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000181122935 532291622 /nfs/dbraw/zinc/29/16/22/532291622.db2.gz KIELCQFETQGOLE-DYVFJYSZSA-N 1 0 386.323 2.487 20 0 GEADRO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000139142368 532291817 /nfs/dbraw/zinc/29/18/17/532291817.db2.gz IJBBVFOYQGPUQR-ZDUSSCGKSA-N 1 0 387.267 2.371 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000138351922 532291978 /nfs/dbraw/zinc/29/19/78/532291978.db2.gz OORWGWZKGZSUEW-ZDUSSCGKSA-N 1 0 395.301 2.452 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000139365942 532293170 /nfs/dbraw/zinc/29/31/70/532293170.db2.gz SZPSZTCYHLNVOD-CYBMUJFWSA-N 1 0 383.290 2.089 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1(CC)CC ZINC000182061714 532308353 /nfs/dbraw/zinc/30/83/53/532308353.db2.gz SHCRKBGYLNOWEO-RRFJBIMHSA-N 1 0 375.556 2.456 20 0 GEADRO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)C[C@H](O)C(F)(F)F ZINC000181261638 532294279 /nfs/dbraw/zinc/29/42/79/532294279.db2.gz NWQFQGPGOCBEPN-MFKMUULPSA-N 1 0 375.416 2.498 20 0 GEADRO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)s1 ZINC000181275209 532295222 /nfs/dbraw/zinc/29/52/22/532295222.db2.gz XDSQGJSROLICRN-LBPRGKRZSA-N 1 0 387.571 2.248 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000144309421 532296704 /nfs/dbraw/zinc/29/67/04/532296704.db2.gz SUXPWVZLDHJIGM-UHFFFAOYSA-N 1 0 384.249 2.223 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000181412261 532298153 /nfs/dbraw/zinc/29/81/53/532298153.db2.gz UOQCNHWRXPUYDN-SWLSCSKDSA-N 1 0 385.295 2.492 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000150877967 532303520 /nfs/dbraw/zinc/30/35/20/532303520.db2.gz CZVWYOJKZJTHLB-LLVKDONJSA-N 1 0 386.411 2.480 20 0 GEADRO CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1(C)C ZINC000182062514 532308625 /nfs/dbraw/zinc/30/86/25/532308625.db2.gz NHBRUDFXSSPORR-SOUVJXGZSA-N 1 0 375.556 2.456 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000181696710 532305416 /nfs/dbraw/zinc/30/54/16/532305416.db2.gz CSXZRNATZKLTBI-UHFFFAOYSA-N 1 0 394.368 2.439 20 0 GEADRO COCCC[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000183360794 532324182 /nfs/dbraw/zinc/32/41/82/532324182.db2.gz AGZCMTISMUPPRL-MRXNPFEDSA-N 1 0 385.302 2.365 20 0 GEADRO NC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000182103878 532309006 /nfs/dbraw/zinc/30/90/06/532309006.db2.gz GKZFFOLECSBLII-CYBMUJFWSA-N 1 0 383.290 2.197 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000182196732 532309982 /nfs/dbraw/zinc/30/99/82/532309982.db2.gz MPSGREFCQATGKX-CQSZACIVSA-N 1 0 384.311 2.463 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)o1 ZINC000182206189 532310096 /nfs/dbraw/zinc/31/00/96/532310096.db2.gz BJXQMIORWWTPAD-UHFFFAOYSA-N 1 0 381.226 2.348 20 0 GEADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000182380799 532312458 /nfs/dbraw/zinc/31/24/58/532312458.db2.gz OITQNHICEYZLCD-CALCHBBNSA-N 1 0 375.579 2.174 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1cc(S(=O)(=O)CC)ccc1Br ZINC000182590106 532315154 /nfs/dbraw/zinc/31/51/54/532315154.db2.gz WXJMTZYMOZLLFI-UHFFFAOYSA-N 1 0 391.331 2.314 20 0 GEADRO CCOC(=O)C1CCC([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000182658316 532315948 /nfs/dbraw/zinc/31/59/48/532315948.db2.gz ILFNVJPOXXSNNR-UHFFFAOYSA-N 1 0 388.555 2.355 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cnc1Br ZINC000182838785 532318806 /nfs/dbraw/zinc/31/88/06/532318806.db2.gz RFEHLHCUHGWSRH-JSGCOSHPSA-N 1 0 395.301 2.034 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000183113447 532321721 /nfs/dbraw/zinc/32/17/21/532321721.db2.gz NUHHGFJWSMRLHA-NWDGAFQWSA-N 1 0 397.850 2.499 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000183117438 532321871 /nfs/dbraw/zinc/32/18/71/532321871.db2.gz BEMOBNUKYNQXBY-UHFFFAOYSA-N 1 0 399.333 2.000 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000183263080 532322629 /nfs/dbraw/zinc/32/26/29/532322629.db2.gz WEKIPNGISGYENC-CYBMUJFWSA-N 1 0 389.315 2.253 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000185319530 532337563 /nfs/dbraw/zinc/33/75/63/532337563.db2.gz HZGCGMLEKBGSCL-CYBMUJFWSA-N 1 0 382.452 2.092 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000185774988 532338632 /nfs/dbraw/zinc/33/86/32/532338632.db2.gz DNCXBFKJJDMNHG-LLVKDONJSA-N 1 0 377.304 2.078 20 0 GEADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000186193754 532340033 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C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000186660507 532341683 /nfs/dbraw/zinc/34/16/83/532341683.db2.gz MBLPCWKBWJYAIX-GFCCVEGCSA-N 1 0 383.290 2.163 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000186776883 532341866 /nfs/dbraw/zinc/34/18/66/532341866.db2.gz GYZAFEXYJOAMOJ-ZDUSSCGKSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000186954245 532342811 /nfs/dbraw/zinc/34/28/11/532342811.db2.gz MFMGJUZJFIUDSF-OZVIIMIRSA-N 1 0 375.296 2.330 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000187091431 532343172 /nfs/dbraw/zinc/34/31/72/532343172.db2.gz AUAVZOLWXPKRBI-BBRMVZONSA-N 1 0 375.282 2.010 20 0 GEADRO CSc1ccccc1C[C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000183601171 532326463 /nfs/dbraw/zinc/32/64/63/532326463.db2.gz XYYRHOZVIXOPJI-WBVHZDCISA-N 1 0 386.583 2.418 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncc(Br)cc1Br ZINC000183633583 532326841 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CC[N@H+](CCO)CCNC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000183958417 532330434 /nfs/dbraw/zinc/33/04/34/532330434.db2.gz SGMQBQUFTAVODZ-LBPRGKRZSA-N 1 0 375.332 2.360 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000184098257 532330884 /nfs/dbraw/zinc/33/08/84/532330884.db2.gz ZYQRPPBMIPELKM-UHFFFAOYSA-N 1 0 392.363 2.381 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000184307053 532331683 /nfs/dbraw/zinc/33/16/83/532331683.db2.gz XZOYGDOXYKDSMZ-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000184325243 532332049 /nfs/dbraw/zinc/33/20/49/532332049.db2.gz FBOLDCHKZMUZMF-GJZGRUSLSA-N 1 0 398.345 2.359 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000184329367 532332129 /nfs/dbraw/zinc/33/21/29/532332129.db2.gz YFWFQZPUNSSWKY-HUUCEWRRSA-N 1 0 398.345 2.359 20 0 GEADRO Brc1ccc2[nH]c(CN3CC[C@@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000184974800 532336441 /nfs/dbraw/zinc/33/64/41/532336441.db2.gz SAQGMDICVSLIOQ-ZDUSSCGKSA-N 1 0 379.302 2.480 20 0 GEADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)/C=C/c3cc(Br)c4c(c3)OCCO4)C[C@H]21 ZINC000185013444 532336593 /nfs/dbraw/zinc/33/65/93/532336593.db2.gz PDQACENUJUPPSH-MBWHMZPCSA-N 1 0 393.281 2.429 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1cccc(Br)c1 ZINC000188031428 532346433 /nfs/dbraw/zinc/34/64/33/532346433.db2.gz MCOQLDLYHHLARX-ZDUSSCGKSA-N 1 0 384.318 2.436 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000188121774 532346792 /nfs/dbraw/zinc/34/67/92/532346792.db2.gz NVVRMNMOCLNUKN-ZDUSSCGKSA-N 1 0 380.286 2.311 20 0 GEADRO Cc1cc(C2CC[NH+](CC(=O)N3CCNC3=O)CC2)ccc1Br ZINC000188196393 532347321 /nfs/dbraw/zinc/34/73/21/532347321.db2.gz QCRQYYSQTGWEOA-UHFFFAOYSA-N 1 0 380.286 2.489 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cnc1Br ZINC000188255197 532347689 /nfs/dbraw/zinc/34/76/89/532347689.db2.gz ZDMGHYIVGAPRBF-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2ccc(F)cc2Br)CC1 ZINC000188319852 532347825 /nfs/dbraw/zinc/34/78/25/532347825.db2.gz FMBCXMYWQNSETD-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO CC[NH+]1CCN(CCC(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000188483244 532348362 /nfs/dbraw/zinc/34/83/62/532348362.db2.gz ZIXBKPYRPCNAGQ-UHFFFAOYSA-N 1 0 384.318 2.102 20 0 GEADRO O=C(NCCCc1ccc(Br)cc1F)c1[nH]nc2c1C[NH2+]CC2 ZINC000188581237 532348639 /nfs/dbraw/zinc/34/86/39/532348639.db2.gz QAFBEMVBZOZXQW-UHFFFAOYSA-N 1 0 381.249 2.320 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc(Br)n3)C2)CC1 ZINC000188585106 532348643 /nfs/dbraw/zinc/34/86/43/532348643.db2.gz NVJHECGOWHHSCO-CYBMUJFWSA-N 1 0 382.306 2.088 20 0 GEADRO O=C(NCC1CC[NH+](CCO)CC1)C1(c2ccccc2Br)CC1 ZINC000188600651 532348777 /nfs/dbraw/zinc/34/87/77/532348777.db2.gz YCJPYXLLAHCBLC-UHFFFAOYSA-N 1 0 381.314 2.301 20 0 GEADRO O=C(c1ccnc(Cl)c1I)N1CC[NH+]2CCC1CC2 ZINC000188824382 532349703 /nfs/dbraw/zinc/34/97/03/532349703.db2.gz XEQJHXNVMLVCRA-UHFFFAOYSA-N 1 0 391.640 2.260 20 0 GEADRO CCn1c2ccc(Br)cc2nc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188992943 532350588 /nfs/dbraw/zinc/35/05/88/532350588.db2.gz JNGHSTDVRJIIBI-UHFFFAOYSA-N 1 0 389.257 2.440 20 0 GEADRO Cc1nc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)sc1Br ZINC000189140382 532351062 /nfs/dbraw/zinc/35/10/62/532351062.db2.gz HMJIFYZKGGFPRX-UHFFFAOYSA-N 1 0 382.349 2.319 20 0 GEADRO COCCC1(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)CCCCC1 ZINC000189355166 532351905 /nfs/dbraw/zinc/35/19/05/532351905.db2.gz JLKCPMHEZICEQP-HNNXBMFYSA-N 1 0 375.556 2.459 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCc2cccs2)CC1 ZINC000189571159 532352703 /nfs/dbraw/zinc/35/27/03/532352703.db2.gz SIZZHNXGCAXQQO-IRXDYDNUSA-N 1 0 385.599 2.111 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189803146 532353654 /nfs/dbraw/zinc/35/36/54/532353654.db2.gz SJNDWRLNKNUOFV-UHFFFAOYSA-N 1 0 386.677 2.348 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189788553 532353718 /nfs/dbraw/zinc/35/37/18/532353718.db2.gz UABQVNIEQRMQRB-UHFFFAOYSA-N 1 0 384.249 2.142 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000189813992 532353860 /nfs/dbraw/zinc/35/38/60/532353860.db2.gz WFMZMNXTHRJLCG-UHFFFAOYSA-N 1 0 386.290 2.196 20 0 GEADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)C1(C)C ZINC000189963565 532354195 /nfs/dbraw/zinc/35/41/95/532354195.db2.gz UBIFCLXNUNNATR-WMLDXEAASA-N 1 0 377.453 2.339 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000190004233 532354336 /nfs/dbraw/zinc/35/43/36/532354336.db2.gz ZHHLGKJYLGPFSV-BETUJISGSA-N 1 0 388.555 2.489 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000190079768 532354765 /nfs/dbraw/zinc/35/47/65/532354765.db2.gz RLUNMLVGFHFWNS-GXTWGEPZSA-N 1 0 380.286 2.391 20 0 GEADRO C[C@@H](C[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190356238 532355729 /nfs/dbraw/zinc/35/57/29/532355729.db2.gz UKEGPXSBMFZZHV-NSHDSACASA-N 1 0 386.279 2.290 20 0 GEADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000190452562 532356122 /nfs/dbraw/zinc/35/61/22/532356122.db2.gz ZZEDENULFJWJFP-LLVKDONJSA-N 1 0 387.274 2.130 20 0 GEADRO C[N@H+](CCOCCO)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190510763 532356481 /nfs/dbraw/zinc/35/64/81/532356481.db2.gz LGCXPXLPHLTYKJ-HNNXBMFYSA-N 1 0 388.302 2.448 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc(C)c1Br ZINC000190553225 532356708 /nfs/dbraw/zinc/35/67/08/532356708.db2.gz PPPKWDUKJUORPJ-OAHLLOKOSA-N 1 0 392.297 2.477 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000190836566 532358179 /nfs/dbraw/zinc/35/81/79/532358179.db2.gz QFGSSTHVABMUED-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190836637 532358224 /nfs/dbraw/zinc/35/82/24/532358224.db2.gz BYJGBEHWZPRMJN-UTUOFQBUSA-N 1 0 388.249 2.178 20 0 GEADRO C[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1(CO)CCOCC1 ZINC000191018704 532359117 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O=C(NCC[N@@H+]1CCCOCC1)NOCc1ccc(F)cc1Br ZINC000187380631 532344346 /nfs/dbraw/zinc/34/43/46/532344346.db2.gz YEHLEOMQLCWJJA-UHFFFAOYSA-N 1 0 390.253 2.041 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000187416609 532344491 /nfs/dbraw/zinc/34/44/91/532344491.db2.gz SZJQIFJPFGPJES-UHFFFAOYSA-N 1 0 383.290 2.044 20 0 GEADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC(=O)Nc2ccc(Br)cc2)C1(C)C ZINC000187452145 532344593 /nfs/dbraw/zinc/34/45/93/532344593.db2.gz FVTDVMYPXJBTRL-CXAGYDPISA-N 1 0 398.301 2.036 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000187453949 532344603 /nfs/dbraw/zinc/34/46/03/532344603.db2.gz QJNOAMJKUJYYJI-CQSZACIVSA-N 1 0 393.347 2.393 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187792028 532345501 /nfs/dbraw/zinc/34/55/01/532345501.db2.gz YGNSZFQRMFFCEX-CYBMUJFWSA-N 1 0 397.317 2.289 20 0 GEADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000372118374 532372272 /nfs/dbraw/zinc/37/22/72/532372272.db2.gz 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ZINC000278203369 532373806 /nfs/dbraw/zinc/37/38/06/532373806.db2.gz CSASNOSTUMXIHG-UHFFFAOYSA-N 1 0 394.313 2.477 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Br)c(F)cc3F)[C@@H]2C1 ZINC000425214817 532374228 /nfs/dbraw/zinc/37/42/28/532374228.db2.gz KMOROTQOZCELLO-TVQRCGJNSA-N 1 0 395.269 2.442 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)COc1ccc(Cl)cc1Br ZINC000647521962 532374904 /nfs/dbraw/zinc/37/49/04/532374904.db2.gz OZLQXCKKXHPIDH-LDYMZIIASA-N 1 0 392.599 2.355 20 0 GEADRO OC[C@H](CN1CCCCC1)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000647535832 532375672 /nfs/dbraw/zinc/37/56/72/532375672.db2.gz XYWUSJSRYKHDJO-GJZGRUSLSA-N 1 0 377.312 2.170 20 0 GEADRO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000516049935 532376053 /nfs/dbraw/zinc/37/60/53/532376053.db2.gz DQAFOQOROXDISG-ZDUSSCGKSA-N 1 0 385.507 2.080 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000647568325 532376945 /nfs/dbraw/zinc/37/69/45/532376945.db2.gz KQGXWNGDTUMQTF-INIZCTEOSA-N 1 0 396.329 2.350 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](COC)C1 ZINC000294720345 532377449 /nfs/dbraw/zinc/37/74/49/532377449.db2.gz GCMPXOZIJUITOJ-QWHCGFSZSA-N 1 0 385.302 2.431 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000516085959 532377489 /nfs/dbraw/zinc/37/74/89/532377489.db2.gz TXVRYPJOGPLSBB-STQMWFEESA-N 1 0 391.693 2.005 20 0 GEADRO C[C@H](NC(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1)C(=O)N(C)C ZINC000191458004 532361171 /nfs/dbraw/zinc/36/11/71/532361171.db2.gz YWJRIGXFEDETNY-ZDUSSCGKSA-N 1 0 396.329 2.254 20 0 GEADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)n1 ZINC000191561556 532361383 /nfs/dbraw/zinc/36/13/83/532361383.db2.gz DOKXGINXXQSCIX-ZDUSSCGKSA-N 1 0 382.507 2.314 20 0 GEADRO CNC(=O)CCC[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191696248 532361916 /nfs/dbraw/zinc/36/19/16/532361916.db2.gz AHGGPUJXKHGTTF-UHFFFAOYSA-N 1 0 384.318 2.244 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nn(C)cc2Br)[C@H](C)C1 ZINC000294502637 532363078 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2.292 20 0 GEADRO CN([C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CCCCF ZINC000557432919 532364227 /nfs/dbraw/zinc/36/42/27/532364227.db2.gz VMXVIBAUQGHKAT-MSOLQXFVSA-N 1 0 377.570 2.335 20 0 GEADRO COC1(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000621675229 532364387 /nfs/dbraw/zinc/36/43/87/532364387.db2.gz UFMWQWXXLJMOOS-UHFFFAOYSA-N 1 0 377.229 2.426 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1ccc(Br)cc1 ZINC000621691778 532365130 /nfs/dbraw/zinc/36/51/30/532365130.db2.gz DERDWRSKGFVSOC-KYJSFNMBSA-N 1 0 394.313 2.356 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000621695387 532365256 /nfs/dbraw/zinc/36/52/56/532365256.db2.gz UCRZJZDWRGIAPK-MRAWALMUSA-N 1 0 392.297 2.142 20 0 GEADRO C[N@H+](CCNC(=O)Cc1cc[nH]c(=O)c1Br)Cc1ccccc1 ZINC000277895474 532365440 /nfs/dbraw/zinc/36/54/40/532365440.db2.gz CLLBODDAWQGVEA-UHFFFAOYSA-N 1 0 378.270 2.340 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Cc1cc3c(cc1Br)OCCO3)C2 ZINC000621699295 532365634 /nfs/dbraw/zinc/36/56/34/532365634.db2.gz RBWFCIFNYLHYBC-SJCJKPOMSA-N 1 0 381.270 2.103 20 0 GEADRO [NH3+]C1(CNC(=O)CCn2cc(Br)cn2)C2CC3CC(C2)CC1C3 ZINC000647093805 532366409 /nfs/dbraw/zinc/36/64/09/532366409.db2.gz ULRGMROLLJKMCK-UHFFFAOYSA-N 1 0 381.318 2.306 20 0 GEADRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000191787004 532366564 /nfs/dbraw/zinc/36/65/64/532366564.db2.gz WWYXWBSPTOIPAP-CYBMUJFWSA-N 1 0 382.511 2.494 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])n2)cc1 ZINC000191790450 532366645 /nfs/dbraw/zinc/36/66/45/532366645.db2.gz ACMBRSSIQBLGNX-OLZOCXBDSA-N 1 0 380.495 2.248 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000590003557 532366786 /nfs/dbraw/zinc/36/67/86/532366786.db2.gz YMLZSGYHGMTSBB-LBPRGKRZSA-N 1 0 382.302 2.306 20 0 GEADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCN(c2nccs2)CC1 ZINC000557569445 532368083 /nfs/dbraw/zinc/36/80/83/532368083.db2.gz FMDMCWSQCWGRSK-MRXNPFEDSA-N 1 0 380.583 2.399 20 0 GEADRO C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000590371329 532368212 /nfs/dbraw/zinc/36/82/12/532368212.db2.gz RGBBNEKPQXWBRM-LLVKDONJSA-N 1 0 392.352 2.409 20 0 GEADRO CC[C@@H]1CN(CC(=O)N(C)CCOc2ccc(Br)cc2)CCO1 ZINC000515548564 532368245 /nfs/dbraw/zinc/36/82/45/532368245.db2.gz GZWCJKURGKXOLM-OAHLLOKOSA-N 1 0 385.302 2.397 20 0 GEADRO Cn1cc([C@@H](CO)[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)cn1 ZINC000294597105 532370639 /nfs/dbraw/zinc/37/06/39/532370639.db2.gz NKQPUQHZRTUTAO-CABCVRRESA-N 1 0 388.693 2.367 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc21 ZINC000647236959 532371653 /nfs/dbraw/zinc/37/16/53/532371653.db2.gz BBJHPERCNKWPCU-GFCCVEGCSA-N 1 0 398.326 2.456 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCO1 ZINC000647234183 532371740 /nfs/dbraw/zinc/37/17/40/532371740.db2.gz MQDSAWUJNCZJDL-RISCZKNCSA-N 1 0 383.539 2.331 20 0 GEADRO O=C(CSCc1ccc(Br)cc1F)NC[C@@H]1C[NH2+]CCCO1 ZINC000590662578 532379112 /nfs/dbraw/zinc/37/91/12/532379112.db2.gz YVUNQNIHVZYHCJ-ZDUSSCGKSA-N 1 0 391.306 2.316 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000294751039 532379359 /nfs/dbraw/zinc/37/93/59/532379359.db2.gz IDUXSSDBUZFPPN-CZUORRHYSA-N 1 0 398.345 2.488 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1cc(Br)c(Cl)cc1OC ZINC000192027891 532379820 /nfs/dbraw/zinc/37/98/20/532379820.db2.gz GMWRGNRXNHICIH-UHFFFAOYSA-N 1 0 379.682 2.419 20 0 GEADRO CCN(CCC[NH+](C)C)c1cnn(-c2ccccn2)c(=O)c1Br ZINC000425253867 532379997 /nfs/dbraw/zinc/37/99/97/532379997.db2.gz KJZZTKYSVCPBHW-UHFFFAOYSA-N 1 0 380.290 2.168 20 0 GEADRO O=C(CCCOc1cccc(Br)c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647708135 532381095 /nfs/dbraw/zinc/38/10/95/532381095.db2.gz JDWLNRBDOPAWTQ-HZPDHXFCSA-N 1 0 397.313 2.276 20 0 GEADRO O=C(CCCOc1ccccc1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707006 532381225 /nfs/dbraw/zinc/38/12/25/532381225.db2.gz UWHVVNUUJAMFDO-LSDHHAIUSA-N 1 0 397.313 2.276 20 0 GEADRO O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000372295848 532381590 /nfs/dbraw/zinc/38/15/90/532381590.db2.gz PSUKLAQEHXOOQI-CQSZACIVSA-N 1 0 376.473 2.177 20 0 GEADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000516178832 532382143 /nfs/dbraw/zinc/38/21/43/532382143.db2.gz JBLTYJBFSFBMNX-CVEARBPZSA-N 1 0 394.313 2.371 20 0 GEADRO C[C@@H](CNC(=O)c1cc(Br)nn1C)[N@@H+]1CCc2ccccc2C1 ZINC000192065920 532382300 /nfs/dbraw/zinc/38/23/00/532382300.db2.gz CIYWIEAQNRFGHZ-LBPRGKRZSA-N 1 0 377.286 2.359 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000647888974 532382798 /nfs/dbraw/zinc/38/27/98/532382798.db2.gz SQSGKZTXQUCVKT-MFKMUULPSA-N 1 0 389.315 2.097 20 0 GEADRO COCCSCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000278511417 532383762 /nfs/dbraw/zinc/38/37/62/532383762.db2.gz NCYOZZQZSHLXQO-UHFFFAOYSA-N 1 0 390.546 2.292 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(CCS(=O)(=O)c3cccc(Br)c3)C[C@@H]21 ZINC000647907751 532384148 /nfs/dbraw/zinc/38/41/48/532384148.db2.gz OSKUGJOLZLFCBC-UHOFOFEASA-N 1 0 387.343 2.282 20 0 GEADRO CO[C@H]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C[NH3+])C1 ZINC000516275120 532384486 /nfs/dbraw/zinc/38/44/86/532384486.db2.gz HILKSVQJRQQXFE-GJZGRUSLSA-N 1 0 381.270 2.190 20 0 GEADRO OC[C@H]1CCCN1Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CO ZINC000192072933 532384840 /nfs/dbraw/zinc/38/48/40/532384840.db2.gz ZYYOKHXLNQVZNX-MSOLQXFVSA-N 1 0 383.330 2.363 20 0 GEADRO CO[C@@H]1CCN(Cc2nc(-c3ccc(Br)s3)no2)[C@H](C[NH3+])C1 ZINC000647906807 532384937 /nfs/dbraw/zinc/38/49/37/532384937.db2.gz DXWYYGCEOBKQLM-VHSXEESVSA-N 1 0 387.303 2.499 20 0 GEADRO O=C1N=NCN1C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000516310137 532385139 /nfs/dbraw/zinc/38/51/39/532385139.db2.gz KBIQKCRFQPULGN-CYBMUJFWSA-N 1 0 387.267 2.367 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3cc(Br)sc3C2)C1 ZINC000372342380 532385259 /nfs/dbraw/zinc/38/52/59/532385259.db2.gz RQEOYARQXSHENM-GFCCVEGCSA-N 1 0 388.331 2.299 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cc1cncn1C ZINC000516456383 532385919 /nfs/dbraw/zinc/38/59/19/532385919.db2.gz XVABEZIHQPIHQG-UHFFFAOYSA-N 1 0 394.317 2.362 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1CCSC1)COc1ccc(I)cc1 ZINC000278540437 532386045 /nfs/dbraw/zinc/38/60/45/532386045.db2.gz TVKFVYZPBKBIDN-WCQYABFASA-N 1 0 393.290 2.374 20 0 GEADRO O[C@@H](C[NH2+]C[C@H]1CCSC1)COc1ccc(I)cc1 ZINC000278540438 532386054 /nfs/dbraw/zinc/38/60/54/532386054.db2.gz TVKFVYZPBKBIDN-YPMHNXCESA-N 1 0 393.290 2.374 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccc(Cl)s1 ZINC000372326020 532386095 /nfs/dbraw/zinc/38/60/95/532386095.db2.gz REKQPBXZFDBUAT-STQMWFEESA-N 1 0 393.962 2.094 20 0 GEADRO CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000372358437 532387053 /nfs/dbraw/zinc/38/70/53/532387053.db2.gz IRJBEHFAPCDARG-BRWVUGGUSA-N 1 0 394.313 2.451 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000372373791 532387366 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C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCn1cc(CO)nn1 ZINC000623985113 532392858 /nfs/dbraw/zinc/39/28/58/532392858.db2.gz FLVSHEUWYHQIPY-SNVBAGLBSA-N 1 0 377.798 2.449 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000192204516 532393456 /nfs/dbraw/zinc/39/34/56/532393456.db2.gz GFRFPCRQFXGBHF-LLVKDONJSA-N 1 0 381.723 2.474 20 0 GEADRO Cn1cc([C@H]2C[N@H+](Cc3c(Br)cnn3C)CC23CCOCC3)cn1 ZINC000294970831 532393658 /nfs/dbraw/zinc/39/36/58/532393658.db2.gz IZCPXZPBZPAUEG-CQSZACIVSA-N 1 0 394.317 2.312 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000372493384 532394254 /nfs/dbraw/zinc/39/42/54/532394254.db2.gz GXMUOZIJABCDGS-XDQVBPFNSA-N 1 0 392.297 2.283 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)NCc2csc(Br)c2)CC1 ZINC000590953346 532394313 /nfs/dbraw/zinc/39/43/13/532394313.db2.gz NJLWQOULNMAEQO-UHFFFAOYSA-N 1 0 389.363 2.337 20 0 GEADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000624007257 532394527 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O=C(CCn1cc(Br)cn1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000678499928 532395866 /nfs/dbraw/zinc/39/58/66/532395866.db2.gz VWIASZDAUSICQX-UHFFFAOYSA-N 1 0 392.301 2.464 20 0 GEADRO NC(=O)[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc(Br)c1 ZINC000372514309 532396021 /nfs/dbraw/zinc/39/60/21/532396021.db2.gz QWOHAMQRIUBBAX-GDBMZVCRSA-N 1 0 390.285 2.024 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000516883260 532396590 /nfs/dbraw/zinc/39/65/90/532396590.db2.gz SKAUTVJAKDCUPH-CYBMUJFWSA-N 1 0 393.525 2.078 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372552791 532396661 /nfs/dbraw/zinc/39/66/61/532396661.db2.gz KYGUMBKCCAXHEM-UHFFFAOYSA-N 1 0 398.345 2.475 20 0 GEADRO CN1CCN(C(=O)C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000648437272 532396780 /nfs/dbraw/zinc/39/67/80/532396780.db2.gz KLTKSEYRBMVIST-UHFFFAOYSA-N 1 0 384.293 2.198 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cc(Br)cnc2OC)C1 ZINC000624631964 532400726 /nfs/dbraw/zinc/40/07/26/532400726.db2.gz BGNJJPNITIMSBQ-CQSZACIVSA-N 1 0 385.306 2.478 20 0 GEADRO COC(=O)C[C@]1([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CCOC1 ZINC000464604003 532400816 /nfs/dbraw/zinc/40/08/16/532400816.db2.gz QGJYIXHLMPVBTP-PIGZYNQJSA-N 1 0 389.279 2.482 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)c1cccs1 ZINC000558709160 532399387 /nfs/dbraw/zinc/39/93/87/532399387.db2.gz XDNVVRVAMQAIHK-LBPRGKRZSA-N 1 0 387.914 2.082 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(Br)cnc2OC)C1 ZINC000624632525 532401267 /nfs/dbraw/zinc/40/12/67/532401267.db2.gz ZNDYKQPQKZAWFT-LBPRGKRZSA-N 1 0 385.306 2.384 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000591198042 532401309 /nfs/dbraw/zinc/40/13/09/532401309.db2.gz CJKBJIKUGSNXIX-UHFFFAOYSA-N 1 0 385.555 2.124 20 0 GEADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(Br)cn1 ZINC000279738128 532401346 /nfs/dbraw/zinc/40/13/46/532401346.db2.gz WXCUGQDLIWIQDP-QWHCGFSZSA-N 1 0 399.333 2.392 20 0 GEADRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000678777451 532401443 /nfs/dbraw/zinc/40/14/43/532401443.db2.gz XOCQXBDQMLUNQW-RDJZCZTQSA-N 1 0 399.329 2.425 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000624632631 532401449 /nfs/dbraw/zinc/40/14/49/532401449.db2.gz DRCSXBZQZGEOKG-UHFFFAOYSA-N 1 0 385.306 2.336 20 0 GEADRO C[C@@H]1SCCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@H]1C ZINC000559401748 532401571 /nfs/dbraw/zinc/40/15/71/532401571.db2.gz DGOJHRRRPODASG-SOUVJXGZSA-N 1 0 381.567 2.354 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc(Br)cc2)CC12CCOCC2 ZINC000516970076 532401641 /nfs/dbraw/zinc/40/16/41/532401641.db2.gz VYJCYKJWJQRESC-CYBMUJFWSA-N 1 0 383.286 2.042 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000279741570 532401745 /nfs/dbraw/zinc/40/17/45/532401745.db2.gz XISQKUYOZYDADO-NSHDSACASA-N 1 0 389.315 2.333 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000559382833 532402293 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C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000559759743 532405395 /nfs/dbraw/zinc/40/53/95/532405395.db2.gz FLSXTQLBTCWJMZ-AWEZNQCLSA-N 1 0 396.329 2.256 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C[C@H]2C1 ZINC000192517763 532405486 /nfs/dbraw/zinc/40/54/86/532405486.db2.gz MEUQJKHSOODEIV-UPJWGTAASA-N 1 0 382.291 2.366 20 0 GEADRO CCn1c(SCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nnc1-c1cccs1 ZINC000192527550 532405552 /nfs/dbraw/zinc/40/55/52/532405552.db2.gz JVKKRGLGIAZLQA-BETUJISGSA-N 1 0 377.539 2.139 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000280037741 532406003 /nfs/dbraw/zinc/40/60/03/532406003.db2.gz ZIQZUODTCJNLQO-SECBINFHSA-N 1 0 390.228 2.076 20 0 GEADRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000464853015 532407158 /nfs/dbraw/zinc/40/71/58/532407158.db2.gz JETGSXWXEDSCSV-AWEZNQCLSA-N 1 0 387.571 2.305 20 0 GEADRO Cc1cc(I)cc(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000591306779 532406038 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COc1cc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc(Br)c1OC ZINC000280948401 532417750 /nfs/dbraw/zinc/41/77/50/532417750.db2.gz XDPBCJUAYRHUKX-SJKOYZFVSA-N 1 0 383.286 2.472 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3ncccc3Br)CC2)CC1 ZINC000193016516 532417889 /nfs/dbraw/zinc/41/78/89/532417889.db2.gz VYPOTNKZOFMEJZ-UHFFFAOYSA-N 1 0 381.318 2.133 20 0 GEADRO CC[N@H+](CCNC(=O)c1ccc(NS(C)(=O)=O)cc1)CCC(F)(F)F ZINC000427251920 532417883 /nfs/dbraw/zinc/41/78/83/532417883.db2.gz FDHCPDPXXPQGIP-UHFFFAOYSA-N 1 0 381.420 2.062 20 0 GEADRO Cn1nc(Br)cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000372940750 532420960 /nfs/dbraw/zinc/42/09/60/532420960.db2.gz PWBGSXGRNGWXNY-VIKVFOODSA-N 1 0 375.270 2.043 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000427278189 532419141 /nfs/dbraw/zinc/41/91/41/532419141.db2.gz WYINZQIDFDTOPV-UHFFFAOYSA-N 1 0 383.905 2.245 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Cl)cc1Cl ZINC000372896768 532419336 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O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000427311441 532420515 /nfs/dbraw/zinc/42/05/15/532420515.db2.gz AYTJJXOSDRHJSW-QWHCGFSZSA-N 1 0 395.301 2.021 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(I)c1 ZINC000372947961 532420530 /nfs/dbraw/zinc/42/05/30/532420530.db2.gz AZTQQDLTTWPLDZ-YGRLFVJLSA-N 1 0 386.233 2.124 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000193376611 532422354 /nfs/dbraw/zinc/42/23/54/532422354.db2.gz DOUJZCZLNUCGDJ-UHFFFAOYSA-N 1 0 382.507 2.356 20 0 GEADRO COC[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)[C@@H]1CCCO1 ZINC000625379725 532423037 /nfs/dbraw/zinc/42/30/37/532423037.db2.gz ULSGJAJLEKBVPY-PMPSAXMXSA-N 1 0 383.286 2.486 20 0 GEADRO COC[C@@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)O1 ZINC000625361290 532421388 /nfs/dbraw/zinc/42/13/88/532421388.db2.gz XKISIXAIVXOBQB-PJODQICGSA-N 1 0 383.286 2.438 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C[NH+](C)C ZINC000560707809 532421547 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Cc1nc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)sc1Br ZINC000281606004 532426723 /nfs/dbraw/zinc/42/67/23/532426723.db2.gz SEIKPRUUBQPKTG-UHFFFAOYSA-N 1 0 382.349 2.320 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000281623370 532428253 /nfs/dbraw/zinc/42/82/53/532428253.db2.gz NVXVEXOKSRARSK-UHFFFAOYSA-N 1 0 396.329 2.493 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[N@@H+]1C ZINC000427593872 532427568 /nfs/dbraw/zinc/42/75/68/532427568.db2.gz VYPKNEXSRORRDV-PSASIEDQSA-N 1 0 390.228 2.265 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193703665 532430455 /nfs/dbraw/zinc/43/04/55/532430455.db2.gz MPIWNETUMDSJRX-UHFFFAOYSA-N 1 0 380.286 2.378 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000625673427 532430985 /nfs/dbraw/zinc/43/09/85/532430985.db2.gz OLLCWSUUKGLLRF-UHFFFAOYSA-N 1 0 377.432 2.327 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000373090044 532431147 /nfs/dbraw/zinc/43/11/47/532431147.db2.gz MEVNTPYEYPVBQM-BPLDGKMQSA-N 1 0 381.318 2.447 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCOCC1CC1 ZINC000295289983 532431206 /nfs/dbraw/zinc/43/12/06/532431206.db2.gz WWOWZPMMBCXHGL-GFCCVEGCSA-N 1 0 385.302 2.479 20 0 GEADRO COCC[C@@H](CO)[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000281666576 532431325 /nfs/dbraw/zinc/43/13/25/532431325.db2.gz QOSHWXHBPABBBB-RISCZKNCSA-N 1 0 383.290 2.386 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000427807847 532431681 /nfs/dbraw/zinc/43/16/81/532431681.db2.gz VTTQPBSQORDQPF-HNNXBMFYSA-N 1 0 386.721 2.451 20 0 GEADRO Cc1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc(C)c1Br ZINC000427792093 532431997 /nfs/dbraw/zinc/43/19/97/532431997.db2.gz YWKJJRYNLVKGKY-CYBMUJFWSA-N 1 0 382.302 2.415 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000295304104 532432057 /nfs/dbraw/zinc/43/20/57/532432057.db2.gz KMKWOXMIYCUIKU-GOOCMWNKSA-N 1 0 386.901 2.420 20 0 GEADRO Cc1cc(C)c(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1Br ZINC000650137134 532436502 /nfs/dbraw/zinc/43/65/02/532436502.db2.gz VEQJXVWYUJNLJA-UHFFFAOYSA-N 1 0 397.317 2.304 20 0 GEADRO Cc1ccsc1S(=O)(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681696119 532436748 /nfs/dbraw/zinc/43/67/48/532436748.db2.gz QMYZBZGAVIZRDZ-SFHVURJKSA-N 1 0 380.535 2.314 20 0 GEADRO O=C(Cc1cc[nH]c(=O)c1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373092681 532432646 /nfs/dbraw/zinc/43/26/46/532432646.db2.gz NKYUNGBLDGRSJL-BFHYXJOUSA-N 1 0 380.286 2.035 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561231226 532433110 /nfs/dbraw/zinc/43/31/10/532433110.db2.gz RJGBZWFUAPNEBU-SFHVURJKSA-N 1 0 384.307 2.254 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000466687237 532433245 /nfs/dbraw/zinc/43/32/45/532433245.db2.gz VEYXSVTXEHLVAA-ZDUSSCGKSA-N 1 0 388.299 2.453 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)C1(CC)CC ZINC000518000654 532433533 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ZINC000592219842 532440990 /nfs/dbraw/zinc/44/09/90/532440990.db2.gz YIMURYYAZJWAPT-HNNXBMFYSA-N 1 0 395.345 2.272 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000427954657 532437544 /nfs/dbraw/zinc/43/75/44/532437544.db2.gz ZWJWDKSPIQKFLK-UVBJJODRSA-N 1 0 386.901 2.265 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650157350 532437989 /nfs/dbraw/zinc/43/79/89/532437989.db2.gz KZIMAFXPJFFPKY-UHFFFAOYSA-N 1 0 389.283 2.240 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)ccc1Br ZINC000193923660 532438231 /nfs/dbraw/zinc/43/82/31/532438231.db2.gz MMBDLSFCNPEIOC-UHFFFAOYSA-N 1 0 385.306 2.137 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[N@@H+]1C ZINC000467222109 532442288 /nfs/dbraw/zinc/44/22/88/532442288.db2.gz HBKADDNCCRPDCR-RKDXNWHRSA-N 1 0 390.228 2.265 20 0 GEADRO CC1(C)CN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[N@@H+]1CCO ZINC000682166857 532442254 /nfs/dbraw/zinc/44/22/54/532442254.db2.gz TZADIVRPROSOEB-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/44/36/59/532443659.db2.gz UOZNHPIZWHVKEW-AWEZNQCLSA-N 1 0 385.555 2.429 20 0 GEADRO CCC[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000518574356 532444144 /nfs/dbraw/zinc/44/41/44/532444144.db2.gz FGFYYNUTRNJCSA-CYBMUJFWSA-N 1 0 397.317 2.363 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000626846341 532444445 /nfs/dbraw/zinc/44/44/45/532444445.db2.gz DNOKZHCTPYOXHR-CYBMUJFWSA-N 1 0 390.228 2.122 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cn1 ZINC000373387676 532444991 /nfs/dbraw/zinc/44/49/91/532444991.db2.gz WNLYQXIRRZYNCP-UBHSHLNASA-N 1 0 383.290 2.068 20 0 GEADRO COC(=O)CCNC(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000194268563 532445270 /nfs/dbraw/zinc/44/52/70/532445270.db2.gz TUFSITMKUKHBKK-UHFFFAOYSA-N 1 0 383.286 2.340 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626836732 532441629 /nfs/dbraw/zinc/44/16/29/532441629.db2.gz AKZLIKDRGMNYPV-LBPRGKRZSA-N 1 0 394.313 2.461 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000626834517 532442004 /nfs/dbraw/zinc/44/20/04/532442004.db2.gz ZBFYJIWOZYCESU-ZJUUUORDSA-N 1 0 386.315 2.305 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000282056849 532442062 /nfs/dbraw/zinc/44/20/62/532442062.db2.gz VVTHZYBJAYJDJP-KBPBESRZSA-N 1 0 394.313 2.389 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626837805 532442156 /nfs/dbraw/zinc/44/21/56/532442156.db2.gz JCOGATFXHYIUDI-UHFFFAOYSA-N 1 0 394.313 2.461 20 0 GEADRO CCCN(C(=O)Nc1ccncc1I)[C@@H]1CC[N@H+](C)C1 ZINC000592243971 532442101 /nfs/dbraw/zinc/44/21/01/532442101.db2.gz PNRKHJPELIGALX-LLVKDONJSA-N 1 0 388.253 2.056 20 0 GEADRO O=C(CCNC(=O)N[C@H]1CC[NH2+]C12CCC2)Nc1ccc(Br)cc1 ZINC000626945680 532446950 /nfs/dbraw/zinc/44/69/50/532446950.db2.gz GHKLAXGUGKPQAP-AWEZNQCLSA-N 1 0 395.301 2.362 20 0 GEADRO CN(CCOCC[NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000626946388 532447125 /nfs/dbraw/zinc/44/71/25/532447125.db2.gz XUQQYJFXAUBZPE-UHFFFAOYSA-N 1 0 384.318 2.488 20 0 GEADRO CC[C@H](C)NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000194310150 532447370 /nfs/dbraw/zinc/44/73/70/532447370.db2.gz ZQYQBVMAXFRFAO-LBPRGKRZSA-N 1 0 397.317 2.409 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2sccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000295438881 532447433 /nfs/dbraw/zinc/44/74/33/532447433.db2.gz DLVFNEPRYFMURF-LLVKDONJSA-N 1 0 375.332 2.357 20 0 GEADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)C1(Cc2ccccc2Br)CC1 ZINC000627266738 532448204 /nfs/dbraw/zinc/44/82/04/532448204.db2.gz FHZCQTOORWYYRH-CVEARBPZSA-N 1 0 393.325 2.439 20 0 GEADRO Cc1nc(SCC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n[nH]1 ZINC000373432426 532448550 /nfs/dbraw/zinc/44/85/50/532448550.db2.gz UNPUXJGGMZTAAQ-UHFFFAOYSA-N 1 0 377.436 2.127 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC1C[NH2+]C1 ZINC000592317690 532448966 /nfs/dbraw/zinc/44/89/66/532448966.db2.gz MIWXLHKVFIMOIO-CQSZACIVSA-N 1 0 390.336 2.181 20 0 GEADRO O=C(N[C@H]1CSc2ccc(Br)cc21)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000428188506 532446128 /nfs/dbraw/zinc/44/61/28/532446128.db2.gz XKLCDFKURKTLEQ-UONOGXRCSA-N 1 0 382.327 2.102 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ncsc2Br)CC1 ZINC000519019975 532452023 /nfs/dbraw/zinc/45/20/23/532452023.db2.gz DDGFHDATGDKXHX-GFCCVEGCSA-N 1 0 387.347 2.148 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000518919936 532449658 /nfs/dbraw/zinc/44/96/58/532449658.db2.gz KIJYGBSKWSUBHC-HNNXBMFYSA-N 1 0 387.933 2.238 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627271012 532449917 /nfs/dbraw/zinc/44/99/17/532449917.db2.gz PPQLFMNMWXODMC-QWHCGFSZSA-N 1 0 383.286 2.047 20 0 GEADRO CSc1cc(Br)ccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627270238 532449966 /nfs/dbraw/zinc/44/99/66/532449966.db2.gz DWVLNLVBRGVKRP-OLZOCXBDSA-N 1 0 385.327 2.452 20 0 GEADRO CC[C@H]1CN(C(=O)c2ccc(OC)cc2I)CC[C@@H]1[NH3+] ZINC000592333364 532450317 /nfs/dbraw/zinc/45/03/17/532450317.db2.gz YGGITKZJNASEAN-HZMBPMFUSA-N 1 0 388.249 2.499 20 0 GEADRO CC[C@@H]1CN(C(=O)c2n[nH]c3ccc(I)cc32)CC[C@H]1[NH3+] ZINC000592332847 532450682 /nfs/dbraw/zinc/45/06/82/532450682.db2.gz PCKAXZHXZZWQCB-BXKDBHETSA-N 1 0 398.248 2.367 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ncc(Br)cc1F ZINC000373552789 532456986 /nfs/dbraw/zinc/45/69/86/532456986.db2.gz WGKXYNOQZWQESR-VHSXEESVSA-N 1 0 396.264 2.192 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000282315728 532457079 /nfs/dbraw/zinc/45/70/79/532457079.db2.gz MASDCLMQGIXQRA-ZDUSSCGKSA-N 1 0 396.329 2.179 20 0 GEADRO CC[NH+](CC)CCNC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000428668316 532457299 /nfs/dbraw/zinc/45/72/99/532457299.db2.gz RHDZGDAXGSJFLU-AWEZNQCLSA-N 1 0 386.334 2.241 20 0 GEADRO CN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000194803807 532457509 /nfs/dbraw/zinc/45/75/09/532457509.db2.gz BWUNXUWINJVVLJ-CQSZACIVSA-N 1 0 378.885 2.175 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CC[C@H]1[NH3+] ZINC000592382247 532453295 /nfs/dbraw/zinc/45/32/95/532453295.db2.gz IZHMLXXFLATOCG-DGCLKSJQSA-N 1 0 382.507 2.436 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ncsc2Br)CC1 ZINC000519019976 532453315 /nfs/dbraw/zinc/45/33/15/532453315.db2.gz DDGFHDATGDKXHX-LBPRGKRZSA-N 1 0 387.347 2.148 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1I ZINC000592380852 532453500 /nfs/dbraw/zinc/45/35/00/532453500.db2.gz SDVIJCMUPJEPMI-MNOVXSKESA-N 1 0 394.278 2.148 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)C1 ZINC000428442010 532453542 /nfs/dbraw/zinc/45/35/42/532453542.db2.gz YJJMFIQNJBMRKV-ZDUSSCGKSA-N 1 0 390.285 2.341 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CC[C@@H]1[NH3+] ZINC000592382246 532453588 /nfs/dbraw/zinc/45/35/88/532453588.db2.gz IZHMLXXFLATOCG-AAEUAGOBSA-N 1 0 382.507 2.436 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1Br ZINC000373513430 532454408 /nfs/dbraw/zinc/45/44/08/532454408.db2.gz PGBKKGCKSQDXAN-UHFFFAOYSA-N 1 0 398.301 2.185 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cn1 ZINC000428541912 532454849 /nfs/dbraw/zinc/45/48/49/532454849.db2.gz FICUAWDVUJLGAK-CQSZACIVSA-N 1 0 379.302 2.246 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1Br ZINC000373528043 532455275 /nfs/dbraw/zinc/45/52/75/532455275.db2.gz RJINHLBDDAYZDA-CORIIIEPSA-N 1 0 380.286 2.414 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000592568001 532455296 /nfs/dbraw/zinc/45/52/96/532455296.db2.gz IWXMUQOERYMUKT-LSDHHAIUSA-N 1 0 395.297 2.436 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)c3ncc(Br)s3)CC2)CC1 ZINC000683407977 532457909 /nfs/dbraw/zinc/45/79/09/532457909.db2.gz FZIQAJVCPGCHHZ-UHFFFAOYSA-N 1 0 387.347 2.005 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000373648462 532462087 /nfs/dbraw/zinc/46/20/87/532462087.db2.gz QDYLKNVJTJBKTR-KBRIMQKVSA-N 1 0 390.908 2.492 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)C[C@@H](C)O1 ZINC000519386314 532462196 /nfs/dbraw/zinc/46/21/96/532462196.db2.gz NAGQFWRIYUEWRD-BLTAXRJOSA-N 1 0 375.296 2.487 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000467993566 532458610 /nfs/dbraw/zinc/45/86/10/532458610.db2.gz IFCZBZLFIZAIGE-BETUJISGSA-N 1 0 382.302 2.168 20 0 GEADRO CSC1(CNC(=O)C(=O)Nc2nc(C(C)(C)C)cs2)CC[NH+](C)CC1 ZINC000562149405 532458854 /nfs/dbraw/zinc/45/88/54/532458854.db2.gz CIIKDILBNJWKAV-UHFFFAOYSA-N 1 0 384.571 2.323 20 0 GEADRO C[NH+](C)CCCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000683530098 532459792 /nfs/dbraw/zinc/45/97/92/532459792.db2.gz MPEWSCAWILLQKY-UHFFFAOYSA-N 1 0 380.290 2.386 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000373615077 532460141 /nfs/dbraw/zinc/46/01/41/532460141.db2.gz GABWQXKETKILPI-VQIMIIECSA-N 1 0 396.373 2.376 20 0 GEADRO CCOc1cc(C[NH2+][C@@H]2COC[C@H]2O)cc(Br)c1OC(F)F ZINC000295584789 532460108 /nfs/dbraw/zinc/46/01/08/532460108.db2.gz MFOUYIIFQRNYIX-GHMZBOCLSA-N 1 0 382.201 2.299 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(I)ccc3O)[C@H]2C1 ZINC000373623027 532460455 /nfs/dbraw/zinc/46/04/55/532460455.db2.gz KUKROEXOXYZACA-GWCFXTLKSA-N 1 0 386.233 2.163 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCOc1cccc(Cl)c1Cl ZINC000519365322 532461028 /nfs/dbraw/zinc/46/10/28/532461028.db2.gz WWRUXQFUDGSNKG-ZDUSSCGKSA-N 1 0 388.295 2.218 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)NCC(=O)Nc2cc(Br)ccc2C)C1 ZINC000194855512 532461029 /nfs/dbraw/zinc/46/10/29/532461029.db2.gz OJIAMZAAKLDUCF-CQSZACIVSA-N 1 0 397.317 2.480 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1=O ZINC000627983819 532461663 /nfs/dbraw/zinc/46/16/63/532461663.db2.gz HABWZLUWAXDWMY-UONOGXRCSA-N 1 0 384.307 2.329 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(I)c[nH]1 ZINC000468471771 532465399 /nfs/dbraw/zinc/46/53/99/532465399.db2.gz HROVUXUOWCWXFO-LBPRGKRZSA-N 1 0 375.254 2.470 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000468479228 532465723 /nfs/dbraw/zinc/46/57/23/532465723.db2.gz NOWKWONFJJEWPZ-HNNXBMFYSA-N 1 0 396.329 2.416 20 0 GEADRO C[C@@H]1[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CCC[N@@H+]1C ZINC000428973423 532466037 /nfs/dbraw/zinc/46/60/37/532466037.db2.gz YQBMKXAAGCYPOL-UKPHBRMFSA-N 1 0 398.345 2.382 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(S(C)(=O)=O)s1)c1cccs1 ZINC000468440643 532466002 /nfs/dbraw/zinc/46/60/02/532466002.db2.gz XRDBFEGZNXQJMQ-GFCCVEGCSA-N 1 0 387.552 2.315 20 0 GEADRO O=C(CSc1ccc(C(F)(F)F)cn1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295638236 532466125 /nfs/dbraw/zinc/46/61/25/532466125.db2.gz AVSVOVYLIDOIQI-CYBMUJFWSA-N 1 0 377.432 2.156 20 0 GEADRO C[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000428975504 532466649 /nfs/dbraw/zinc/46/66/49/532466649.db2.gz HNEFPVJXOYFUHP-OLZOCXBDSA-N 1 0 397.317 2.465 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCc2cc(Br)cs2)C1 ZINC000683910040 532466815 /nfs/dbraw/zinc/46/68/15/532466815.db2.gz FZVOELXETXJMAX-OAHLLOKOSA-N 1 0 375.332 2.358 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC=C(Br)C1 ZINC000282434032 532466939 /nfs/dbraw/zinc/46/69/39/532466939.db2.gz YXYJLDNXHKLTDU-UHFFFAOYSA-N 1 0 381.274 2.364 20 0 GEADRO C[C@@H](NC(=O)COc1ccc(I)cc1)[C@@H]1CCC[NH2+]C1 ZINC000428980993 532467188 /nfs/dbraw/zinc/46/71/88/532467188.db2.gz WCZGCCDPEQJQQN-VXGBXAGGSA-N 1 0 388.249 2.174 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncnc3cc(Br)sc32)C1 ZINC000651304797 532463072 /nfs/dbraw/zinc/46/30/72/532463072.db2.gz MOUDSKGSOMFUKF-SNVBAGLBSA-N 1 0 398.330 2.453 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]CC2(OC)CCOCC2)s1 ZINC000428850490 532463230 /nfs/dbraw/zinc/46/32/30/532463230.db2.gz MZSNWYOBWGHMPO-UHFFFAOYSA-N 1 0 376.544 2.064 20 0 GEADRO C[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000519529568 532467695 /nfs/dbraw/zinc/46/76/95/532467695.db2.gz GAVJIHBDYSLCSX-AAEUAGOBSA-N 1 0 398.301 2.408 20 0 GEADRO Cn1cc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc(Br)c1=O ZINC000519538629 532467716 /nfs/dbraw/zinc/46/77/16/532467716.db2.gz OPMMTOADAAWKMU-CYBMUJFWSA-N 1 0 385.306 2.390 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC[N@H+](C)C1 ZINC000592806651 532467817 /nfs/dbraw/zinc/46/78/17/532467817.db2.gz SNZHXZJKMHLURU-CJNGLKHVSA-N 1 0 395.297 2.042 20 0 GEADRO Cc1nn2c(C[NH2+][C@@H]3CCCC[C@H]3NS(C)(=O)=O)c(C(C)C)nc2s1 ZINC000628429344 532467909 /nfs/dbraw/zinc/46/79/09/532467909.db2.gz NXNGHLWISSZZLA-CHWSQXEVSA-N 1 0 385.559 2.173 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1ncc(Br)cc1Br)C2 ZINC000683908973 532467951 /nfs/dbraw/zinc/46/79/51/532467951.db2.gz LMJQVTCCLIJCGR-UHFFFAOYSA-N 1 0 389.091 2.384 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC2([S@](C)=O)CC2)ccc1S(=O)(=O)C(F)F ZINC000282443452 532468530 /nfs/dbraw/zinc/46/85/30/532468530.db2.gz URDSLZGAGXDQRK-VCGICTTQSA-N 1 0 381.466 2.253 20 0 GEADRO C[S@](=O)C1(C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 ZINC000282451613 532468649 /nfs/dbraw/zinc/46/86/49/532468649.db2.gz SKRBDYSTNMLCGF-VWLOTQADSA-N 1 0 386.945 2.052 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@H](CO)Cc2ccccc2Br)CCC1 ZINC000428993920 532468678 /nfs/dbraw/zinc/46/86/78/532468678.db2.gz BGPHPLUHOLAXEA-CQSZACIVSA-N 1 0 398.345 2.384 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651357419 532468845 /nfs/dbraw/zinc/46/88/45/532468845.db2.gz WQCQPKJRDYJMGY-OAHLLOKOSA-N 1 0 397.313 2.278 20 0 GEADRO COC(=O)CCCCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000373763764 532469111 /nfs/dbraw/zinc/46/91/11/532469111.db2.gz VOOSZHZJQITHGQ-YOEHRIQHSA-N 1 0 388.555 2.394 20 0 GEADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000562522067 532470253 /nfs/dbraw/zinc/47/02/53/532470253.db2.gz BRWJZPSLKAQXIZ-RISCZKNCSA-N 1 0 381.270 2.241 20 0 GEADRO OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CNc2ccnn2C1 ZINC000684195794 532470475 /nfs/dbraw/zinc/47/04/75/532470475.db2.gz LXQYRIIBNJPVIF-LBPRGKRZSA-N 1 0 383.265 2.321 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000468694466 532470873 /nfs/dbraw/zinc/47/08/73/532470873.db2.gz PEWMKZVIADQQHX-AWEZNQCLSA-N 1 0 387.571 2.319 20 0 GEADRO COC(=O)CCNC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429227227 532471207 /nfs/dbraw/zinc/47/12/07/532471207.db2.gz DGTUFTOJZUTTPM-UHFFFAOYSA-N 1 0 385.302 2.348 20 0 GEADRO OC[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1ccc(Br)cc1 ZINC000684201580 532471858 /nfs/dbraw/zinc/47/18/58/532471858.db2.gz XCBCTEXYOOWNJT-GJZGRUSLSA-N 1 0 379.302 2.128 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1ccccc1Br ZINC000684195573 532471886 /nfs/dbraw/zinc/47/18/86/532471886.db2.gz BSFUESPFWSYDMR-ZIAGYGMSSA-N 1 0 379.302 2.128 20 0 GEADRO COCCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000429336524 532473563 /nfs/dbraw/zinc/47/35/63/532473563.db2.gz VZIVMXQUZPBQOD-INIZCTEOSA-N 1 0 388.917 2.194 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)C1 ZINC000429453671 532477173 /nfs/dbraw/zinc/47/71/73/532477173.db2.gz ODAHISASFKXKID-CZUORRHYSA-N 1 0 396.329 2.271 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)c1n[nH]c2ccc(I)cc21 ZINC000429494360 532477891 /nfs/dbraw/zinc/47/78/91/532477891.db2.gz IYEVDLJCZNKLRK-UHFFFAOYSA-N 1 0 386.237 2.224 20 0 GEADRO C[C@H](CNS(=O)(=O)Cc1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000651574704 532478184 /nfs/dbraw/zinc/47/81/84/532478184.db2.gz FDZWIYKJQPIMHW-SNVBAGLBSA-N 1 0 386.370 2.110 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000195481480 532478256 /nfs/dbraw/zinc/47/82/56/532478256.db2.gz SAGMPNAVIQIAOD-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO CC[C@@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CC[N@@H+]1C[C@H](C)O ZINC000282567126 532479301 /nfs/dbraw/zinc/47/93/01/532479301.db2.gz TUDLPXISLHHBMD-WCQYABFASA-N 1 0 395.301 2.243 20 0 GEADRO CC[NH+]1CCC(N(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C2CC2)CC1 ZINC000373945482 532479691 /nfs/dbraw/zinc/47/96/91/532479691.db2.gz IEJDHGTWIXGQQS-UHFFFAOYSA-N 1 0 385.917 2.076 20 0 GEADRO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C(=O)NCCF ZINC000282590429 532480164 /nfs/dbraw/zinc/48/01/64/532480164.db2.gz GSCMHSQPBLUZGH-JTQLQIEISA-N 1 0 375.238 2.174 20 0 GEADRO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612704 532480605 /nfs/dbraw/zinc/48/06/05/532480605.db2.gz XVGFKWUVIJRNSJ-GJZGRUSLSA-N 1 0 389.949 2.450 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000519819151 532480671 /nfs/dbraw/zinc/48/06/71/532480671.db2.gz DVOKUPXTHHWSKA-SNVBAGLBSA-N 1 0 382.839 2.377 20 0 GEADRO C[C@H](CNC(=O)c1ccc(Br)c2c1OCCC2)N1CC[NH+](C)CC1 ZINC000468901424 532481357 /nfs/dbraw/zinc/48/13/57/532481357.db2.gz JGOPUEZUERUALX-CYBMUJFWSA-N 1 0 396.329 2.140 20 0 GEADRO O=C(NCCCNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000236767843 532496828 /nfs/dbraw/zinc/49/68/28/532496828.db2.gz GQVADEREDBKWER-HNNXBMFYSA-N 1 0 394.313 2.075 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000429597673 532481475 /nfs/dbraw/zinc/48/14/75/532481475.db2.gz NHAALIKRKGVMGR-CABCVRRESA-N 1 0 382.302 2.057 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H](c2nccn2C)C(C)(C)CO)cc1Cl ZINC000295860312 532482071 /nfs/dbraw/zinc/48/20/71/532482071.db2.gz XVGNACFPAYZKTB-CQSZACIVSA-N 1 0 387.889 2.120 20 0 GEADRO CCC[C@H]1CN(C(=O)c2nscc2Br)CCN1CCOC ZINC000651621725 532483192 /nfs/dbraw/zinc/48/31/92/532483192.db2.gz ANOBGZQNGQFXBK-NSHDSACASA-N 1 0 376.320 2.479 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC(C)(C)CCO ZINC000295876313 532484546 /nfs/dbraw/zinc/48/45/46/532484546.db2.gz XSSKOFXHEWVIAZ-LBPRGKRZSA-N 1 0 387.318 2.461 20 0 GEADRO C[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Oc1ccccc1Br ZINC000562810452 532484830 /nfs/dbraw/zinc/48/48/30/532484830.db2.gz VMOBLBCKCVRZLU-MGPQQGTHSA-N 1 0 382.302 2.467 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000562816045 532485089 /nfs/dbraw/zinc/48/50/89/532485089.db2.gz NGLUMTQSVVQKAH-HNNXBMFYSA-N 1 0 397.317 2.242 20 0 GEADRO COCC[C@]1(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC[NH2+]C1 ZINC000429993164 532485480 /nfs/dbraw/zinc/48/54/80/532485480.db2.gz PLOGSNFWNJZIRB-CXAGYDPISA-N 1 0 385.302 2.349 20 0 GEADRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ncc(Br)cc1F ZINC000282652268 532485748 /nfs/dbraw/zinc/48/57/48/532485748.db2.gz IAIKTJJMUAUJMC-NSHDSACASA-N 1 0 377.254 2.192 20 0 GEADRO O=C1CO[C@H]2CCN(Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]2N1 ZINC000374046500 532487065 /nfs/dbraw/zinc/48/70/65/532487065.db2.gz VPWKZGANMTUZRX-CABCVRRESA-N 1 0 392.253 2.193 20 0 GEADRO COCC[C@]1(C(=O)NC[C@@H](C)Oc2ccccc2Br)CC[NH2+]C1 ZINC000430006807 532487817 /nfs/dbraw/zinc/48/78/17/532487817.db2.gz FVMUXHFQRNIHFU-CXAGYDPISA-N 1 0 385.302 2.349 20 0 GEADRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000651705350 532488936 /nfs/dbraw/zinc/48/89/36/532488936.db2.gz POWKJOKZRAIBMB-CQSZACIVSA-N 1 0 390.571 2.310 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000374084275 532489429 /nfs/dbraw/zinc/48/94/29/532489429.db2.gz PBNZFGGXRWDDMX-TVQRCGJNSA-N 1 0 379.707 2.475 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1Br ZINC000562941789 532489505 /nfs/dbraw/zinc/48/95/05/532489505.db2.gz UZMNZZFJUMWCRI-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1ccc(Br)c2ccccc12 ZINC000520369181 532489764 /nfs/dbraw/zinc/48/97/64/532489764.db2.gz CDAOHBSWNRKQDJ-UHFFFAOYSA-N 1 0 391.269 2.156 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3cccc(I)c3)C[C@@H]21 ZINC000230049677 532490462 /nfs/dbraw/zinc/49/04/62/532490462.db2.gz AFDFWDGAZWQOHT-BYCMXARLSA-N 1 0 399.276 2.289 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)NCc1ccc(S(C)(=O)=O)s1)C(C)(C)C ZINC000469085191 532490607 /nfs/dbraw/zinc/49/06/07/532490607.db2.gz QQPUGNKFFKMMPG-ZDUSSCGKSA-N 1 0 375.560 2.317 20 0 GEADRO Cn1c(Cl)cnc1C[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000374125856 532490767 /nfs/dbraw/zinc/49/07/67/532490767.db2.gz QPGINMJYWAZGNC-UHFFFAOYSA-N 1 0 382.917 2.264 20 0 GEADRO CCC[C@@H]([NH3+])c1cn(CC(=O)Nc2ccccc2I)nn1 ZINC000229963200 532491700 /nfs/dbraw/zinc/49/17/00/532491700.db2.gz VSXPTPBTGZYBKZ-LLVKDONJSA-N 1 0 399.236 2.321 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000236680958 532492714 /nfs/dbraw/zinc/49/27/14/532492714.db2.gz VVVZCIRLBFZCFU-QGZVFWFLSA-N 1 0 387.933 2.274 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2nscc2Br)CC1 ZINC000651759291 532492789 /nfs/dbraw/zinc/49/27/89/532492789.db2.gz IUIPSXQMIAHHQV-UHFFFAOYSA-N 1 0 375.336 2.052 20 0 GEADRO COCCN(CC[NH+](C)C)Cc1c(Br)cc(OC)cc1OC ZINC000685457534 532493259 /nfs/dbraw/zinc/49/32/59/532493259.db2.gz UJTIKBFLSRFLPP-UHFFFAOYSA-N 1 0 375.307 2.476 20 0 GEADRO Cc1cnc([C@H]2CCC[N@H+](CCOc3ccc(S(N)(=O)=O)cc3)C2)s1 ZINC000374231493 532493385 /nfs/dbraw/zinc/49/33/85/532493385.db2.gz WCANRGKOFJCNAW-AWEZNQCLSA-N 1 0 381.523 2.357 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000296010839 532493624 /nfs/dbraw/zinc/49/36/24/532493624.db2.gz YJXPRFSIGLVMCI-CYBMUJFWSA-N 1 0 392.301 2.444 20 0 GEADRO O[C@@H](C[NH2+][C@H](Cc1cccc(Br)c1)CC1CC1)CN1CCOCC1 ZINC000563014351 532494011 /nfs/dbraw/zinc/49/40/11/532494011.db2.gz UHRRKVOCWBRHNH-OALUTQOASA-N 1 0 397.357 2.443 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000236712311 532494397 /nfs/dbraw/zinc/49/43/97/532494397.db2.gz KPSTVGIHHCEOPR-OAHLLOKOSA-N 1 0 393.285 2.401 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000563024666 532494632 /nfs/dbraw/zinc/49/46/32/532494632.db2.gz FKJBBOZYKBVEJK-HUUCEWRRSA-N 1 0 399.264 2.257 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236718346 532494938 /nfs/dbraw/zinc/49/49/38/532494938.db2.gz OVXSAVSVRSBIGP-CYBMUJFWSA-N 1 0 380.286 2.236 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)NCC1(c2cccc(Br)c2)CC1 ZINC000520547759 532495060 /nfs/dbraw/zinc/49/50/60/532495060.db2.gz GDKXHSJXESTMGI-OAHLLOKOSA-N 1 0 382.302 2.158 20 0 GEADRO COc1ncc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Br ZINC000520566208 532495649 /nfs/dbraw/zinc/49/56/49/532495649.db2.gz FECWMHUBTGGONL-LSDHHAIUSA-N 1 0 398.301 2.211 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469201802 532495682 /nfs/dbraw/zinc/49/56/82/532495682.db2.gz OYISXRRBMILSFG-RISCZKNCSA-N 1 0 378.270 2.228 20 0 GEADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NC2(C[NH3+])CCCC2)s1 ZINC000236797142 532497295 /nfs/dbraw/zinc/49/72/95/532497295.db2.gz KGZGOBAPMCPOKU-UHFFFAOYSA-N 1 0 387.571 2.003 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000282777667 532496113 /nfs/dbraw/zinc/49/61/13/532496113.db2.gz MJJDWBYNNLFBNF-HNNXBMFYSA-N 1 0 394.313 2.198 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000236779907 532496192 /nfs/dbraw/zinc/49/61/92/532496192.db2.gz XFSLVBWXTJNREY-AWEZNQCLSA-N 1 0 387.571 2.368 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000236747299 532496282 /nfs/dbraw/zinc/49/62/82/532496282.db2.gz SDWLIFBGTVMGCK-LSDHHAIUSA-N 1 0 385.327 2.444 20 0 GEADRO CCC[NH2+][C@@H](C)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000563048164 532496268 /nfs/dbraw/zinc/49/62/68/532496268.db2.gz SSGLAMIOPGBYJK-ZDUSSCGKSA-N 1 0 382.302 2.122 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651807785 532496388 /nfs/dbraw/zinc/49/63/88/532496388.db2.gz RECNKPSEUFQHCK-OCCSQVGLSA-N 1 0 375.897 2.327 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cnn(-c2cc(Cl)ccc2OC)c1 ZINC000236750545 532496579 /nfs/dbraw/zinc/49/65/79/532496579.db2.gz FVVKGUIAIPPOOS-CYBMUJFWSA-N 1 0 386.905 2.330 20 0 GEADRO COCCCn1nccc1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000282526760 532473981 /nfs/dbraw/zinc/47/39/81/532473981.db2.gz AOKLFCDIDUWRBP-OAHLLOKOSA-N 1 0 398.301 2.212 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000519660306 532474437 /nfs/dbraw/zinc/47/44/37/532474437.db2.gz ZWXJXWXDJJEQGY-GHMZBOCLSA-N 1 0 387.265 2.498 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000684277064 532474557 /nfs/dbraw/zinc/47/45/57/532474557.db2.gz CLVAGVUDUQWTBX-LBPRGKRZSA-N 1 0 381.274 2.166 20 0 GEADRO C[C@H](NC(=O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(C)C ZINC000429400035 532475042 /nfs/dbraw/zinc/47/50/42/532475042.db2.gz NPLXECRWJRQAHB-ZBEGNZNMSA-N 1 0 396.329 2.255 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373872706 532475376 /nfs/dbraw/zinc/47/53/76/532475376.db2.gz RYXWTVJNYANMOW-CQSZACIVSA-N 1 0 385.555 2.231 20 0 GEADRO C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@@H](C)[C@H]1[NH3+] ZINC000562646285 532476287 /nfs/dbraw/zinc/47/62/87/532476287.db2.gz IHWPUOFNKAVVGG-PUTJDCORSA-N 1 0 378.270 2.488 20 0 GEADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ncsc3C(F)(F)F)CC2)CC1 ZINC000684296964 532476310 /nfs/dbraw/zinc/47/63/10/532476310.db2.gz QKTYSNFLQHSXHA-TXEJJXNPSA-N 1 0 376.448 2.450 20 0 GEADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000629801310 532502479 /nfs/dbraw/zinc/50/24/79/532502479.db2.gz DYWCAPODZUPKOM-CQSZACIVSA-N 1 0 386.265 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O=C(NC[C@@H](O)c1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000282921193 532506863 /nfs/dbraw/zinc/50/68/63/532506863.db2.gz VXFPBCHWUULPGK-MRXNPFEDSA-N 1 0 382.302 2.409 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652233065 532507241 /nfs/dbraw/zinc/50/72/41/532507241.db2.gz LXGAIAUNMZVMKP-AWEZNQCLSA-N 1 0 398.345 2.337 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1Br ZINC000563618816 532507337 /nfs/dbraw/zinc/50/73/37/532507337.db2.gz ASIAPKNZKCOOJI-ZDUSSCGKSA-N 1 0 396.329 2.040 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)C1 ZINC000237302957 532507500 /nfs/dbraw/zinc/50/75/00/532507500.db2.gz SJLFNGZRAQBRJJ-WDEREUQCSA-N 1 0 388.331 2.087 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)cnc1Br ZINC000296231269 532507649 /nfs/dbraw/zinc/50/76/49/532507649.db2.gz QNMFPBOJHHOVPL-UHFFFAOYSA-N 1 0 395.301 2.224 20 0 GEADRO [NH3+]CC1(CCNC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000652236533 532507574 /nfs/dbraw/zinc/50/75/74/532507574.db2.gz 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380.286 2.046 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000652383760 532509317 /nfs/dbraw/zinc/50/93/17/532509317.db2.gz GINWCJAWYJSFPY-WKPIXPDZSA-N 1 0 378.416 2.153 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)s1 ZINC000652381527 532509503 /nfs/dbraw/zinc/50/95/03/532509503.db2.gz UMZYUCDFABPVLH-JTQLQIEISA-N 1 0 385.486 2.022 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCn1cccn1 ZINC000296397953 532519147 /nfs/dbraw/zinc/51/91/47/532519147.db2.gz LJMCPGIVCPLXOL-CYBMUJFWSA-N 1 0 395.301 2.339 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)s1 ZINC000652381528 532509843 /nfs/dbraw/zinc/50/98/43/532509843.db2.gz UMZYUCDFABPVLH-SNVBAGLBSA-N 1 0 385.486 2.022 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)[C@@H]1CC[NH3+] ZINC000652377836 532509893 /nfs/dbraw/zinc/50/98/93/532509893.db2.gz QQXQNVDBQMTJHE-DGCLKSJQSA-N 1 0 381.420 2.161 20 0 GEADRO CC[NH+]1CCN(CC(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000469727601 532510305 /nfs/dbraw/zinc/51/03/05/532510305.db2.gz GHCDHDSQVXZFND-UHFFFAOYSA-N 1 0 380.330 2.234 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000652385090 532510709 /nfs/dbraw/zinc/51/07/09/532510709.db2.gz BNVXMDTWEKMMQN-UHFFFAOYSA-N 1 0 391.331 2.434 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC000469756570 532511455 /nfs/dbraw/zinc/51/14/55/532511455.db2.gz MTERZVCXJAHRIZ-LLVKDONJSA-N 1 0 377.304 2.144 20 0 GEADRO O=C(NCc1ccsc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000282987257 532511562 /nfs/dbraw/zinc/51/15/62/532511562.db2.gz FGPNVOMELUNYPW-LBPRGKRZSA-N 1 0 388.331 2.374 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000652384632 532511601 /nfs/dbraw/zinc/51/16/01/532511601.db2.gz HPQCQKPGWJNHBN-ZDUSSCGKSA-N 1 0 390.933 2.422 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCn1cc(Br)ccc1=O ZINC000563864302 532511817 /nfs/dbraw/zinc/51/18/17/532511817.db2.gz FSJBJWLMKHVPCY-UONOGXRCSA-N 1 0 399.333 2.030 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1F ZINC000594533060 532513298 /nfs/dbraw/zinc/51/32/98/532513298.db2.gz YCOWLORYHUWNNY-SNVBAGLBSA-N 1 0 378.853 2.015 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1F ZINC000594530676 532513406 /nfs/dbraw/zinc/51/34/06/532513406.db2.gz MLZWPWXVYSGISH-CABZTGNLSA-N 1 0 378.853 2.156 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1F ZINC000594531685 532513561 /nfs/dbraw/zinc/51/35/61/532513561.db2.gz WALRYOTUPOHWBA-GFCCVEGCSA-N 1 0 380.869 2.260 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c1F ZINC000594529719 532513833 /nfs/dbraw/zinc/51/38/33/532513833.db2.gz FATDOSVVMBRFKY-ZDUSSCGKSA-N 1 0 392.880 2.452 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000563944466 532514382 /nfs/dbraw/zinc/51/43/82/532514382.db2.gz KWHPXQRRKMTMPD-AWEZNQCLSA-N 1 0 379.917 2.412 20 0 GEADRO CO[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)[C@](C)(C[NH3+])C1 ZINC000630367293 532515005 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COCC[NH2+]CC(=O)NCc1cc(Br)ccc1Br ZINC000564936865 532539587 /nfs/dbraw/zinc/53/95/87/532539587.db2.gz SOHPNWXMZMNAHP-UHFFFAOYSA-N 1 0 380.080 2.064 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000564957191 532539816 /nfs/dbraw/zinc/53/98/16/532539816.db2.gz FHERSDLJTSAKJQ-NXEZZACHSA-N 1 0 380.539 2.361 20 0 GEADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564966694 532540250 /nfs/dbraw/zinc/54/02/50/532540250.db2.gz KCJCFUUABFXVHK-AOOOYVTPSA-N 1 0 395.269 2.347 20 0 GEADRO O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CCC[NH2+]C1 ZINC000246501836 532541509 /nfs/dbraw/zinc/54/15/09/532541509.db2.gz QAJVWGZPTWHDTE-CMPLNLGQSA-N 1 0 376.810 2.448 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000565013445 532541835 /nfs/dbraw/zinc/54/18/35/532541835.db2.gz HQLYSIIEMUJLNY-UHFFFAOYSA-N 1 0 397.313 2.086 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631153847 532545564 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GEADRO O=C(CCCOc1ccccc1Br)NCC[NH+]1CCC(O)CC1 ZINC000296806935 532544564 /nfs/dbraw/zinc/54/45/64/532544564.db2.gz FFTJXGQZRRIVBI-UHFFFAOYSA-N 1 0 385.302 2.181 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1 ZINC000470174578 532522388 /nfs/dbraw/zinc/52/23/88/532522388.db2.gz TZZGIADTIQTVLX-SNVBAGLBSA-N 1 0 378.523 2.069 20 0 GEADRO C[C@H](c1ccc(F)c(Br)c1)n1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000630592897 532523945 /nfs/dbraw/zinc/52/39/45/532523945.db2.gz AEUKILWOUFKDSE-SNVBAGLBSA-N 1 0 379.237 2.493 20 0 GEADRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000245904124 532525707 /nfs/dbraw/zinc/52/57/07/532525707.db2.gz OHNADICJEDXYRS-DQYPLSBCSA-N 1 0 382.917 2.339 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(Br)s2)C[C@H]1C ZINC000245903386 532526277 /nfs/dbraw/zinc/52/62/77/532526277.db2.gz STIILVFYELKOJX-NEPJUHHUSA-N 1 0 390.347 2.150 20 0 GEADRO OC1(C[NH+]2CCOCC2)CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000374995606 532526642 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20 0 GEADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653084377 532529934 /nfs/dbraw/zinc/52/99/34/532529934.db2.gz CWRUFIVDBDTJPP-ZIAGYGMSSA-N 1 0 390.285 2.381 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCN1C ZINC000296599089 532530163 /nfs/dbraw/zinc/53/01/63/532530163.db2.gz YFDLRXCUNZPNAO-WFASDCNBSA-N 1 0 384.318 2.146 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]CC3)C2=O)ccc1Br ZINC000653155163 532531459 /nfs/dbraw/zinc/53/14/59/532531459.db2.gz KIOZZMWKOZYQSI-CJNGLKHVSA-N 1 0 394.313 2.369 20 0 GEADRO C[NH+](C)CC[C@H](N)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000653119847 532532047 /nfs/dbraw/zinc/53/20/47/532532047.db2.gz YQJSJFGMHMBWAT-KRWDZBQOSA-N 1 0 387.355 2.353 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000564826759 532532272 /nfs/dbraw/zinc/53/22/72/532532272.db2.gz OXNLTYBAUCAPGZ-BBRMVZONSA-N 1 0 381.929 2.230 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCC[NH2+]CC3)C2=O)ccc1Br ZINC000653155164 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390.615 2.455 20 0 GEADRO CO[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000654767147 532567712 /nfs/dbraw/zinc/56/77/12/532567712.db2.gz QJIMTJOVJDAGRZ-KRWDZBQOSA-N 1 0 398.345 2.233 20 0 GEADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433392584 532567841 /nfs/dbraw/zinc/56/78/41/532567841.db2.gz WQIUXNTWLCRQOL-IAQYHMDHSA-N 1 0 390.285 2.382 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)Cc2ncsc2Br)[C@@H]1CC[NH3+] ZINC000631947559 532568280 /nfs/dbraw/zinc/56/82/80/532568280.db2.gz GYIUUVOQRKXYEZ-GXSJLCMTSA-N 1 0 382.349 2.185 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](OC)c2ccccc2Br)CC1 ZINC000654780385 532568773 /nfs/dbraw/zinc/56/87/73/532568773.db2.gz VKTPJHRIGKBIGH-YOEHRIQHSA-N 1 0 398.345 2.279 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000283953597 532568909 /nfs/dbraw/zinc/56/89/09/532568909.db2.gz AJIOXFJVJNRDGD-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000595627499 532569146 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C[NH+](C)C1CCN(CCNC(=O)NCCc2cccc(Br)c2)CC1 ZINC000297401064 532587599 /nfs/dbraw/zinc/58/75/99/532587599.db2.gz ROKUECVFQCPINC-UHFFFAOYSA-N 1 0 397.361 2.317 20 0 GEADRO C[C@H]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H](C)[C@H]1[NH3+] ZINC000297404637 532587620 /nfs/dbraw/zinc/58/76/20/532587620.db2.gz PUSANRGUWJOFBZ-MKBNYLNASA-N 1 0 382.302 2.153 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCCOc1ccccc1Br ZINC000473266406 532587734 /nfs/dbraw/zinc/58/77/34/532587734.db2.gz VRMHFEHCWIPWIT-QGZVFWFLSA-N 1 0 387.318 2.427 20 0 GEADRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000262175825 532587776 /nfs/dbraw/zinc/58/77/76/532587776.db2.gz YFGFKBQGTAGZHY-UHFFFAOYSA-N 1 0 389.587 2.249 20 0 GEADRO CCC[C@H]([NH2+]C(C)C)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000473298457 532588706 /nfs/dbraw/zinc/58/87/06/532588706.db2.gz CDLTVOGBVROXRG-HNNXBMFYSA-N 1 0 384.318 2.462 20 0 GEADRO O=S(=O)(c1c(Cl)ccc2ccccc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262200731 532588720 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[NH3+]C[C@@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)C(F)(F)F ZINC000655514018 532593562 /nfs/dbraw/zinc/59/35/62/532593562.db2.gz KKRLHNASYDYGCK-MRVPVSSYSA-N 1 0 383.708 2.478 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000566100728 532593614 /nfs/dbraw/zinc/59/36/14/532593614.db2.gz KOZZGSLEPMTTHS-SFYZADRCSA-N 1 0 377.080 2.416 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473544902 532594017 /nfs/dbraw/zinc/59/40/17/532594017.db2.gz UPJUXHMBZAQFBT-AWEZNQCLSA-N 1 0 389.327 2.450 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)CCCC(F)(F)F)cc1 ZINC000376069466 532594011 /nfs/dbraw/zinc/59/40/11/532594011.db2.gz RMKIMSASTQJTAV-LSDHHAIUSA-N 1 0 380.432 2.403 20 0 GEADRO Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CCCC2)cc1 ZINC000655511644 532594074 /nfs/dbraw/zinc/59/40/74/532594074.db2.gz IOSIUGHEQCABMD-ZDUSSCGKSA-N 1 0 378.416 2.087 20 0 GEADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NS(=O)(=O)CCCC(F)(F)F)cc1 ZINC000376069465 532594447 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CC(C)[C@@H]1CN(C(=O)NCCCCn2cc(Br)cn2)CC[N@@H+]1C ZINC000472316175 532571254 /nfs/dbraw/zinc/57/12/54/532571254.db2.gz DJQOEMAYDBOGII-HNNXBMFYSA-N 1 0 386.338 2.407 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631968600 532571402 /nfs/dbraw/zinc/57/14/02/532571402.db2.gz WBMLLRQLCKCWLB-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO [NH3+][C@@H](CCNS(=O)(=O)c1ncccc1Br)Cc1ccccc1 ZINC000631965139 532571446 /nfs/dbraw/zinc/57/14/46/532571446.db2.gz UHXJWSVDXTZPDG-ZDUSSCGKSA-N 1 0 384.299 2.083 20 0 GEADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1cc(I)c[nH]1 ZINC000565602181 532571673 /nfs/dbraw/zinc/57/16/73/532571673.db2.gz BAYJDFGIMGXAKE-AWEZNQCLSA-N 1 0 381.217 2.318 20 0 GEADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631993760 532571858 /nfs/dbraw/zinc/57/18/58/532571858.db2.gz YUVLHJALMZSTJL-CMPLNLGQSA-N 1 0 377.279 2.351 20 0 GEADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566131543 532595177 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COc1cc(CN(C)S(=O)(=O)CCC[NH+](C)C)c(SC)cc1OC ZINC000632023845 532574532 /nfs/dbraw/zinc/57/45/32/532574532.db2.gz WHVGOKMDSVBATG-UHFFFAOYSA-N 1 0 376.544 2.139 20 0 GEADRO Cc1nc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)sc1Br ZINC000375680797 532575029 /nfs/dbraw/zinc/57/50/29/532575029.db2.gz SFOCNDNOOORCBZ-MWLCHTKSSA-N 1 0 394.360 2.461 20 0 GEADRO C[C@H]1C[NH+](CCCCNc2cc(Br)cnc2C(N)=O)C[C@H](C)O1 ZINC000472491808 532575190 /nfs/dbraw/zinc/57/51/90/532575190.db2.gz BJJHNJAXQYAFTF-RYUDHWBXSA-N 1 0 385.306 2.244 20 0 GEADRO C[NH2+][C@H](C)Cc1noc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n1 ZINC000261673163 532575912 /nfs/dbraw/zinc/57/59/12/532575912.db2.gz GKNLVEONPOQSRI-GFCCVEGCSA-N 1 0 384.527 2.369 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)c1sc2c(c1I)CNC2 ZINC000595924051 532575935 /nfs/dbraw/zinc/57/59/35/532575935.db2.gz GJLLFFSSPDXEBN-MRVPVSSYSA-N 1 0 393.294 2.059 20 0 GEADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595911025 532576983 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C[NH2+][C@@H](C)CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000261731925 532578086 /nfs/dbraw/zinc/57/80/86/532578086.db2.gz LPWODOYJNAFOQY-NSHDSACASA-N 1 0 377.286 2.461 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Br)cc1 ZINC000261737934 532578522 /nfs/dbraw/zinc/57/85/22/532578522.db2.gz DDBXRDSQDCNMPL-RDJZCZTQSA-N 1 0 382.302 2.214 20 0 GEADRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000472586619 532578474 /nfs/dbraw/zinc/57/84/74/532578474.db2.gz PPQGLZJCLIAOJH-NSHDSACASA-N 1 0 393.962 2.389 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)c1sc2c(c1I)CNC2 ZINC000595925302 532578584 /nfs/dbraw/zinc/57/85/84/532578584.db2.gz XXDSREURLHOKNS-QMMMGPOBSA-N 1 0 393.294 2.203 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000376121877 532595365 /nfs/dbraw/zinc/59/53/65/532595365.db2.gz BPYPHVBCMKUBIA-TUKIKUTGSA-N 1 0 398.301 2.182 20 0 GEADRO CN(C)C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000528768664 532579210 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CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000261973394 532579975 /nfs/dbraw/zinc/57/99/75/532579975.db2.gz BRCLRXZEAXHZBB-WCQYABFASA-N 1 0 382.555 2.496 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632127089 532580156 /nfs/dbraw/zinc/58/01/56/532580156.db2.gz LYCUATHUSBXYDQ-GFCCVEGCSA-N 1 0 382.452 2.085 20 0 GEADRO Ic1cnc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)s1 ZINC000375762292 532580730 /nfs/dbraw/zinc/58/07/30/532580730.db2.gz JOJTXMBRBNGKHP-SKDRFNHKSA-N 1 0 380.251 2.175 20 0 GEADRO [NH3+]CC1(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CCOCC1 ZINC000261987324 532580870 /nfs/dbraw/zinc/58/08/70/532580870.db2.gz SILXIEVOZBCOKS-HNNXBMFYSA-N 1 0 383.286 2.105 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cscc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000632124677 532580956 /nfs/dbraw/zinc/58/09/56/532580956.db2.gz LOPYUKPULCAYTL-GFCCVEGCSA-N 1 0 378.947 2.373 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000261990977 532581152 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COc1cc(C[N@H+](C)CC2CN(C)C2)cc(I)c1OC ZINC000597203825 532613695 /nfs/dbraw/zinc/61/36/95/532613695.db2.gz YCGPMDBOKKVKKO-UHFFFAOYSA-N 1 0 390.265 2.302 20 0 GEADRO Cn1ccc(CC(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)n1 ZINC000566522651 532614449 /nfs/dbraw/zinc/61/44/49/532614449.db2.gz PXSQNZMDMPTVBW-UHFFFAOYSA-N 1 0 392.301 2.116 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@H]1SC ZINC000597178134 532614527 /nfs/dbraw/zinc/61/45/27/532614527.db2.gz BEQUZDMWQVYYDP-BFHYXJOUSA-N 1 0 388.331 2.073 20 0 GEADRO COC(=O)c1cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c(C)o1 ZINC000597180787 532614702 /nfs/dbraw/zinc/61/47/02/532614702.db2.gz VTTQUXOZPJHGSA-UHFFFAOYSA-N 1 0 396.241 2.052 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000566551095 532615515 /nfs/dbraw/zinc/61/55/15/532615515.db2.gz YUKQSMWSTIGNRA-GFCCVEGCSA-N 1 0 384.274 2.162 20 0 GEADRO CN(C)[C@H](CNC(=O)c1sccc1S(N)(=O)=O)c1ccccc1Cl ZINC000656367769 532616986 /nfs/dbraw/zinc/61/69/86/532616986.db2.gz ALOKALZANLGSDI-GFCCVEGCSA-N 1 0 387.914 2.082 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000566571891 532617529 /nfs/dbraw/zinc/61/75/29/532617529.db2.gz FTGPAMDTQHRAJR-JOYOIKCWSA-N 1 0 395.294 2.393 20 0 GEADRO O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000376541513 532617782 /nfs/dbraw/zinc/61/77/82/532617782.db2.gz UKRWHTYPXABTHD-AWEZNQCLSA-N 1 0 375.523 2.159 20 0 GEADRO CS[C@@H]1CN(C(=O)c2c(C(F)(F)F)nc3n2CCCC3)C[C@@H]1[NH+](C)C ZINC000597446512 532617884 /nfs/dbraw/zinc/61/78/84/532617884.db2.gz OJXFIKAOVQQXPA-WDEREUQCSA-N 1 0 376.448 2.356 20 0 GEADRO CN1CCO[C@@H]2CCN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000284767337 532617864 /nfs/dbraw/zinc/61/78/64/532617864.db2.gz MLKPCORQPKTNCO-WDEREUQCSA-N 1 0 399.314 2.466 20 0 GEADRO CN1CCO[C@H]2CCN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000284767336 532618427 /nfs/dbraw/zinc/61/84/27/532618427.db2.gz MLKPCORQPKTNCO-QWRGUYRKSA-N 1 0 399.314 2.466 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474446936 532618645 /nfs/dbraw/zinc/61/86/45/532618645.db2.gz ARVJXNRSXGCCDF-CQSZACIVSA-N 1 0 378.300 2.294 20 0 GEADRO CN1CCO[C@H]2CCN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000284767335 532619014 /nfs/dbraw/zinc/61/90/14/532619014.db2.gz MLKPCORQPKTNCO-MNOVXSKESA-N 1 0 399.314 2.466 20 0 GEADRO C[NH+](C)[C@@H]1CCN(CCn2cc(COc3cccc(Br)c3)nn2)C1 ZINC000656443531 532619805 /nfs/dbraw/zinc/61/98/05/532619805.db2.gz JZKJFYQTJYHIMH-MRXNPFEDSA-N 1 0 394.317 2.256 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1C ZINC000435601622 532621358 /nfs/dbraw/zinc/62/13/58/532621358.db2.gz OVYZZEPKIDKESV-DGCLKSJQSA-N 1 0 385.306 2.484 20 0 GEADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1nnc(-c2ccccc2Cl)s1 ZINC000566162529 532596432 /nfs/dbraw/zinc/59/64/32/532596432.db2.gz AIEVUXNJYCDASD-LBPRGKRZSA-N 1 0 379.873 2.055 20 0 GEADRO Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1Br ZINC000473679044 532597154 /nfs/dbraw/zinc/59/71/54/532597154.db2.gz DGIPWDMTTPOTTQ-UHFFFAOYSA-N 1 0 396.329 2.430 20 0 GEADRO CCC[C@](C)([NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000262702394 532597504 /nfs/dbraw/zinc/59/75/04/532597504.db2.gz JDWLZDUGCOIETN-KRWDZBQOSA-N 1 0 384.318 2.431 20 0 GEADRO O=S1(=O)CC[C@@H](N(Cc2cccc(I)c2)C2CC2)C1 ZINC000284521109 532597681 /nfs/dbraw/zinc/59/76/81/532597681.db2.gz ZBZKDCMRRIGDKI-CQSZACIVSA-N 1 0 391.274 2.443 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1ncsc1Br ZINC000632288119 532598134 /nfs/dbraw/zinc/59/81/34/532598134.db2.gz FWABAJAHIAPCEM-LLVKDONJSA-N 1 0 396.376 2.445 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000434702120 532599165 /nfs/dbraw/zinc/59/91/65/532599165.db2.gz BBCZSEABSRNUDH-GZMMTYOYSA-N 1 0 384.221 2.038 20 0 GEADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000434702122 532599900 /nfs/dbraw/zinc/59/99/00/532599900.db2.gz BBCZSEABSRNUDH-LDYMZIIASA-N 1 0 384.221 2.038 20 0 GEADRO Cn1ncc(Br)c1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000297651179 532600144 /nfs/dbraw/zinc/60/01/44/532600144.db2.gz YMFPSASKGSVQKN-UHFFFAOYSA-N 1 0 378.274 2.224 20 0 GEADRO Cn1cncc1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000530460297 532621510 /nfs/dbraw/zinc/62/15/10/532621510.db2.gz IOANLPOZVQPLIL-CQSZACIVSA-N 1 0 384.299 2.233 20 0 GEADRO CS(=O)(=O)c1cccc(Br)c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000376184694 532600288 /nfs/dbraw/zinc/60/02/88/532600288.db2.gz BVATVOJUCXLWOW-NWDGAFQWSA-N 1 0 389.315 2.128 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000566190039 532600411 /nfs/dbraw/zinc/60/04/11/532600411.db2.gz IDNPLTIWEKQMRH-GOEBONIOSA-N 1 0 396.329 2.145 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000529388342 532600456 /nfs/dbraw/zinc/60/04/56/532600456.db2.gz RSLIPKFATJLBGY-GOEBONIOSA-N 1 0 382.302 2.012 20 0 GEADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000566200901 532600520 /nfs/dbraw/zinc/60/05/20/532600520.db2.gz JHSODVQYLMENHC-OLZOCXBDSA-N 1 0 381.267 2.263 20 0 GEADRO O=C(c1cc(Cl)cc(F)c1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000566188731 532600898 /nfs/dbraw/zinc/60/08/98/532600898.db2.gz KBQNUAZNSJBNMO-LLVKDONJSA-N 1 0 390.684 2.361 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000566197386 532600970 /nfs/dbraw/zinc/60/09/70/532600970.db2.gz BPWJYVXIEVZTCO-HNNXBMFYSA-N 1 0 383.286 2.436 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262810222 532601784 /nfs/dbraw/zinc/60/17/84/532601784.db2.gz FVBGXARVEHWGFP-WWGRRREGSA-N 1 0 383.945 2.448 20 0 GEADRO C[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000473931677 532601853 /nfs/dbraw/zinc/60/18/53/532601853.db2.gz IKPZGEUJLMACRA-AWEZNQCLSA-N 1 0 385.295 2.446 20 0 GEADRO C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(I)cc1 ZINC000596654400 532602138 /nfs/dbraw/zinc/60/21/38/532602138.db2.gz OAKJXADRAOMJFY-SECBINFHSA-N 1 0 384.221 2.096 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000262824296 532602271 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Brc1c[nH+]c(NCc2cnn3c2CCC3)cc1N1CCOCC1 ZINC000656776361 532630791 /nfs/dbraw/zinc/63/07/91/532630791.db2.gz IJAPQPZSOUWTIY-UHFFFAOYSA-N 1 0 378.274 2.436 20 0 GEADRO CC[NH+]1CCN(CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000530812112 532630885 /nfs/dbraw/zinc/63/08/85/532630885.db2.gz WAWVMJWIMVRCPZ-UHFFFAOYSA-N 1 0 387.311 2.028 20 0 GEADRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000566969166 532632619 /nfs/dbraw/zinc/63/26/19/532632619.db2.gz WZENSWRQEQJMJP-CMPLNLGQSA-N 1 0 393.709 2.299 20 0 GEADRO CO[C@]1(C[NH2+]Cc2c(F)ccc(I)c2F)CCOC1 ZINC000474923167 532632690 /nfs/dbraw/zinc/63/26/90/532632690.db2.gz CABOZLCUXCWXPO-ZDUSSCGKSA-N 1 0 383.176 2.465 20 0 GEADRO O=C(NCCc1c(Cl)cccc1Cl)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000284931344 532633228 /nfs/dbraw/zinc/63/32/28/532633228.db2.gz DMNCLFFHVVUNKE-GFCCVEGCSA-N 1 0 384.307 2.253 20 0 GEADRO [NH3+]CC[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)F ZINC000566972900 532633748 /nfs/dbraw/zinc/63/37/48/532633748.db2.gz DRNXNTHYIJCSSU-SKDRFNHKSA-N 1 0 380.222 2.445 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000284963435 532634075 /nfs/dbraw/zinc/63/40/75/532634075.db2.gz ZXVKTCAMSRXXOR-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1Cl ZINC000566973091 532634740 /nfs/dbraw/zinc/63/47/40/532634740.db2.gz PGKQIWFPKDTQAS-ZJUUUORDSA-N 1 0 385.313 2.423 20 0 GEADRO CC1CC[NH+](CCCNS(=O)(=O)c2ncccc2Br)CC1 ZINC000656869614 532634940 /nfs/dbraw/zinc/63/49/40/532634940.db2.gz FHSGBNBSKTYXQT-UHFFFAOYSA-N 1 0 376.320 2.244 20 0 GEADRO COc1ccc(Br)cc1NC(=O)NCCC[N@H+](C)CCN(C)C ZINC000436502258 532635410 /nfs/dbraw/zinc/63/54/10/532635410.db2.gz JAMODEHPFWAKQE-UHFFFAOYSA-N 1 0 387.322 2.463 20 0 GEADRO CC(C)(CNS(=O)(=O)c1ncccc1Br)[NH+]1CCCCC1 ZINC000656874023 532636209 /nfs/dbraw/zinc/63/62/09/532636209.db2.gz KUNVREHZLSCXTD-UHFFFAOYSA-N 1 0 376.320 2.387 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)C(F)F ZINC000567030685 532636671 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CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH2+]C(C)C)cc1Br ZINC000567166140 532642830 /nfs/dbraw/zinc/64/28/30/532642830.db2.gz PNQRJMOPIJDVMV-UHFFFAOYSA-N 1 0 392.319 2.074 20 0 GEADRO C[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)[C@H](C)C[NH2+]1 ZINC000567164488 532642862 /nfs/dbraw/zinc/64/28/62/532642862.db2.gz JZSBHTSDOJADAB-HTQZYQBOSA-N 1 0 377.080 2.429 20 0 GEADRO C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H](O)c1cccc(Br)c1 ZINC000298350466 532642968 /nfs/dbraw/zinc/64/29/68/532642968.db2.gz MMGKXVZDMXDOHH-QWHCGFSZSA-N 1 0 386.208 2.354 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Br)CC[N@@H+]1C ZINC000656918009 532646594 /nfs/dbraw/zinc/64/65/94/532646594.db2.gz IPCGRWYJDRRGGL-GWCFXTLKSA-N 1 0 379.295 2.490 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(F)cc1Cl ZINC000377125071 532643564 /nfs/dbraw/zinc/64/35/64/532643564.db2.gz HMDPZHKMQKLBCC-NSHDSACASA-N 1 0 390.864 2.125 20 0 GEADRO C[C@H](C(=O)NCC(F)(F)F)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298365525 532644671 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2.425 20 0 GEADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000567764211 532661786 /nfs/dbraw/zinc/66/17/86/532661786.db2.gz PYHMIFQLAQBTKU-GFCCVEGCSA-N 1 0 385.306 2.265 20 0 GEADRO O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)C12CCC[NH+]1CCC2 ZINC000377575656 532662053 /nfs/dbraw/zinc/66/20/53/532662053.db2.gz RGIXMPYHERXOAM-UHFFFAOYSA-N 1 0 383.901 2.447 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2sccc2OC(F)F)CC1 ZINC000264128677 532662062 /nfs/dbraw/zinc/66/20/62/532662062.db2.gz DMVWDSMTEYOVGZ-UHFFFAOYSA-N 1 0 376.425 2.354 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)CCCC(F)(F)F ZINC000480373254 532663673 /nfs/dbraw/zinc/66/36/73/532663673.db2.gz VIIXHJKXZMDLOT-LLVKDONJSA-N 1 0 384.468 2.461 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]C2CC(c3ccccn3)C2)CC1)C(F)(F)F ZINC000377612515 532663885 /nfs/dbraw/zinc/66/38/85/532663885.db2.gz APRBXPULTXQQRU-UHFFFAOYSA-N 1 0 377.432 2.479 20 0 GEADRO COC(=O)CNC(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000533487854 532664165 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[NH3+]C[C@@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC12CCOCC2 ZINC000567862811 532666776 /nfs/dbraw/zinc/66/67/76/532666776.db2.gz VWICEDGVDIYMMO-ROKHWSDSSA-N 1 0 384.464 2.125 20 0 GEADRO CCOc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1Br ZINC000567862244 532667695 /nfs/dbraw/zinc/66/76/95/532667695.db2.gz YIDJEDGIAJYIDA-UHFFFAOYSA-N 1 0 377.304 2.350 20 0 GEADRO O=C(CC[NH2+]C[C@H]1CCCN1CCCO)Nc1cccc(Br)c1 ZINC000567873190 532668102 /nfs/dbraw/zinc/66/81/02/532668102.db2.gz PLINIRYPQQUWLP-MRXNPFEDSA-N 1 0 384.318 2.214 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ncccc1Br ZINC000656917998 532646949 /nfs/dbraw/zinc/64/69/49/532646949.db2.gz KJPMTQAEHBKGFU-GFCCVEGCSA-N 1 0 376.320 2.339 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H](n1cncn1)C(F)(F)F)c1ccsc1 ZINC000632857744 532648434 /nfs/dbraw/zinc/64/84/34/532648434.db2.gz WJOVLZGAQBCGPY-VXGBXAGGSA-N 1 0 376.408 2.045 20 0 GEADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCc3cccc(Br)c3C2)C[C@@H](C)O1 ZINC000532313207 532649117 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2.143 20 0 GEADRO CC(C)(CO)[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1cccs1 ZINC000298537054 532657860 /nfs/dbraw/zinc/65/78/60/532657860.db2.gz MSZAWCWOYZBVTN-GFCCVEGCSA-N 1 0 381.420 2.176 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633032910 532657969 /nfs/dbraw/zinc/65/79/69/532657969.db2.gz NVOVBHTVFARJBQ-BETUJISGSA-N 1 0 396.285 2.138 20 0 GEADRO C[C@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCC(=O)N1 ZINC000567696840 532659135 /nfs/dbraw/zinc/65/91/35/532659135.db2.gz IYOILNAKXDZISK-XHDPSFHLSA-N 1 0 391.693 2.101 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NC[C@H]3CC[N@@H+](C(C)(C)C)C3)cnc2c1Cl ZINC000657035564 532659170 /nfs/dbraw/zinc/65/91/70/532659170.db2.gz ZECWCWJWEYFYEQ-GFCCVEGCSA-N 1 0 385.921 2.090 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000633036524 532659525 /nfs/dbraw/zinc/65/95/25/532659525.db2.gz MQQMTRHEZZVCDP-XYPYZODXSA-N 1 0 384.274 2.030 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000633038493 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1 0 377.539 2.286 20 0 GEADRO O=C(Cc1cccc(I)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601560315 532685793 /nfs/dbraw/zinc/68/57/93/532685793.db2.gz WDYYCZBIEDFAJJ-HIFRSBDPSA-N 1 0 384.261 2.434 20 0 GEADRO Cc1c(Br)csc1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000638212384 532685963 /nfs/dbraw/zinc/68/59/63/532685963.db2.gz YIIJYWLRZDNYEH-NSHDSACASA-N 1 0 388.331 2.279 20 0 GEADRO COc1cc(I)ccc1NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000601565980 532686019 /nfs/dbraw/zinc/68/60/19/532686019.db2.gz KPPNHVGOTGILNI-PSASIEDQSA-N 1 0 375.210 2.253 20 0 GEADRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccccc1I ZINC000265003990 532686095 /nfs/dbraw/zinc/68/60/95/532686095.db2.gz BOEWTMAIJNEHCU-NSHDSACASA-N 1 0 384.221 2.105 20 0 GEADRO COCC1(CNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC[NH2+]CC1 ZINC000638223963 532686155 /nfs/dbraw/zinc/68/61/55/532686155.db2.gz BNHUHHVHEMMTJD-GVDBMIGSSA-N 1 0 393.325 2.467 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638209932 532686205 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CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2OC)C1 ZINC000660027297 532671993 /nfs/dbraw/zinc/67/19/93/532671993.db2.gz NKLPHTXRCVBYAW-JTQLQIEISA-N 1 0 395.294 2.359 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285336970 532672052 /nfs/dbraw/zinc/67/20/52/532672052.db2.gz OMJMPBGBIQYVRK-JSGCOSHPSA-N 1 0 386.901 2.374 20 0 GEADRO CCCOc1cccc(C[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)c1 ZINC000482522050 532672150 /nfs/dbraw/zinc/67/21/50/532672150.db2.gz FVOQXWCBDQKQOX-UHFFFAOYSA-N 1 0 385.511 2.014 20 0 GEADRO COC[C@H](C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)OC ZINC000660034537 532672565 /nfs/dbraw/zinc/67/25/65/532672565.db2.gz ULIQHWREYUZRGV-AWEZNQCLSA-N 1 0 386.290 2.156 20 0 GEADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cc(OC)c2)C1 ZINC000660028533 532672596 /nfs/dbraw/zinc/67/25/96/532672596.db2.gz WGEAOQJNLITSHG-LBPRGKRZSA-N 1 0 377.304 2.220 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2OC)C1 ZINC000660027298 532672619 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O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000378007693 532675477 /nfs/dbraw/zinc/67/54/77/532675477.db2.gz PKIFTMGIOSKEQH-ZDUSSCGKSA-N 1 0 386.901 2.121 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000285376728 532675925 /nfs/dbraw/zinc/67/59/25/532675925.db2.gz VGIHVBATXKORPQ-SNVBAGLBSA-N 1 0 378.420 2.291 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)sc1Cl)CN1CC[NH+](C)CC1 ZINC000298812990 532675945 /nfs/dbraw/zinc/67/59/45/532675945.db2.gz LODQPUFFEZVJHM-JTQLQIEISA-N 1 0 386.370 2.217 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000378009705 532676228 /nfs/dbraw/zinc/67/62/28/532676228.db2.gz YNWBSBIOJNDQPP-GJZGRUSLSA-N 1 0 385.961 2.281 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000298815450 532677407 /nfs/dbraw/zinc/67/74/07/532677407.db2.gz YCBUNZJCXJWAFP-UHFFFAOYSA-N 1 0 390.347 2.269 20 0 GEADRO CSCC[C@H](C)N(C)C(=O)C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000285396621 532677939 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20 0 GEADRO COc1cccc(C[C@H]([NH3+])C(=O)NCCOc2ncc(Cl)cc2Cl)c1 ZINC000638131721 532681051 /nfs/dbraw/zinc/68/10/51/532681051.db2.gz ANJJOGDOSRMEBD-HNNXBMFYSA-N 1 0 384.263 2.462 20 0 GEADRO C[C@H]1CCN(Cc2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000638137097 532681478 /nfs/dbraw/zinc/68/14/78/532681478.db2.gz RHVQRHHIKSOXGO-HNNXBMFYSA-N 1 0 379.551 2.492 20 0 GEADRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cnn3cc(Br)cnc13)CC2 ZINC000638114543 532682165 /nfs/dbraw/zinc/68/21/65/532682165.db2.gz WXFCSDLJVSXNNF-GJZGRUSLSA-N 1 0 395.301 2.244 20 0 GEADRO CS(=O)(=O)NCC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000285475103 532682647 /nfs/dbraw/zinc/68/26/47/532682647.db2.gz OEAFFGMWJJGHKS-UHFFFAOYSA-N 1 0 384.889 2.151 20 0 GEADRO COc1nsc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000638138650 532682644 /nfs/dbraw/zinc/68/26/44/532682644.db2.gz FBNLACQTXOYMAT-NSHDSACASA-N 1 0 376.320 2.068 20 0 GEADRO O=C(C[N@@H+]1CC2CCC1CC2)NCC(=O)Nc1ccccc1Br ZINC000378382568 532691906 /nfs/dbraw/zinc/69/19/06/532691906.db2.gz HBURNEOMDJZXNJ-UHFFFAOYSA-N 1 0 380.286 2.378 20 0 GEADRO C[C@H](C[S@@](C)=O)[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439429382 532692267 /nfs/dbraw/zinc/69/22/67/532692267.db2.gz FDPXWTPLUGJJKN-ZFXASYOHSA-N 1 0 382.295 2.027 20 0 GEADRO CCC[N@@H+](CC(=O)N(C)C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439429711 532692349 /nfs/dbraw/zinc/69/23/49/532692349.db2.gz GJOURUQUTJNQFQ-AWEZNQCLSA-N 1 0 391.281 2.128 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC3=CC[NH2+]CC3)nc12 ZINC000569204137 532692468 /nfs/dbraw/zinc/69/24/68/532692468.db2.gz FTOUELVRWXMOLU-UHFFFAOYSA-N 1 0 392.301 2.167 20 0 GEADRO O=c1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc2ccc(Br)cn12 ZINC000569206114 532692479 /nfs/dbraw/zinc/69/24/79/532692479.db2.gz CRYOZBQTSILKCG-CZUORRHYSA-N 1 0 391.313 2.421 20 0 GEADRO CC[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1cc(F)cc(Br)c1 ZINC000487044174 532692746 /nfs/dbraw/zinc/69/27/46/532692746.db2.gz OCLCNQFAZXTKBA-ZBFHGGJFSA-N 1 0 388.281 2.405 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000640219929 532693326 /nfs/dbraw/zinc/69/33/26/532693326.db2.gz PCHDNXYPADUXKH-UHFFFAOYSA-N 1 0 395.305 2.830 20 0 GEADRO CN(C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439453106 532693604 /nfs/dbraw/zinc/69/36/04/532693604.db2.gz NWQFUQLTYWIKFU-HZPDHXFCSA-N 1 0 387.293 2.496 20 0 GEADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000265327947 532693656 /nfs/dbraw/zinc/69/36/56/532693656.db2.gz XNZSENIKOXASQZ-NVXWUHKLSA-N 1 0 382.346 2.380 20 0 GEADRO COC(=O)[C@]1(C)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439449820 532694708 /nfs/dbraw/zinc/69/47/08/532694708.db2.gz JRRGVPJEYDXYSO-XJKSGUPXSA-N 1 0 390.249 2.213 20 0 GEADRO CS(=O)(=O)NCC1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000285615355 532694823 /nfs/dbraw/zinc/69/48/23/532694823.db2.gz ZDDGXADHDFLZOE-UHFFFAOYSA-N 1 0 380.432 2.345 20 0 GEADRO CCn1cc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)nc1C ZINC000536597530 532695077 /nfs/dbraw/zinc/69/50/77/532695077.db2.gz VUYIIPLASVQNIU-UHFFFAOYSA-N 1 0 382.555 2.463 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc(Cl)c1OC ZINC000378463152 532695972 /nfs/dbraw/zinc/69/59/72/532695972.db2.gz PHMKAADOUODWTH-SUMWQHHRSA-N 1 0 389.901 2.183 20 0 GEADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(Br)cc3)nn2)n1 ZINC000640754526 532696672 /nfs/dbraw/zinc/69/66/72/532696672.db2.gz ZXVYPFFUQBOZPO-UHFFFAOYSA-N 1 0 375.274 2.443 20 0 GEADRO Cc1cc(NC(=O)Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)ccc1Br ZINC000640759473 532697223 /nfs/dbraw/zinc/69/72/23/532697223.db2.gz SMJFMIDBNHMKRW-HOCLYGCPSA-N 1 0 394.273 2.167 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cn2c(n1)SCC2 ZINC000666128687 532697451 /nfs/dbraw/zinc/69/74/51/532697451.db2.gz QGOPVQVSZKFDJW-LLVKDONJSA-N 1 0 383.315 2.134 20 0 GEADRO CCN(CC)c1nc2sc(C(=O)NCCN3CC[NH+](C)CC3)cc2s1 ZINC000299147502 532698569 /nfs/dbraw/zinc/69/85/69/532698569.db2.gz JWGVYSBEBPBQDY-UHFFFAOYSA-N 1 0 381.571 2.181 20 0 GEADRO COc1cc(Br)c(Cn2cc([C@@H]([NH3+])[C@H]3CCCO3)nn2)cc1OC ZINC000640860323 532698770 /nfs/dbraw/zinc/69/87/70/532698770.db2.gz PZQVHOKYFPKAHQ-CZUORRHYSA-N 1 0 397.273 2.285 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C(F)(F)F)n1 ZINC000266037298 532701316 /nfs/dbraw/zinc/70/13/16/532701316.db2.gz BMSHCIUHPIYXTM-IFUGULHKSA-N 1 0 379.448 2.390 20 0 GEADRO [NH3+]CC1(O)CCN(C(=O)CCc2nc3cc(Br)ccc3s2)CC1 ZINC000568999704 532688169 /nfs/dbraw/zinc/68/81/69/532688169.db2.gz SAMQSBARIFEHBJ-UHFFFAOYSA-N 1 0 398.326 2.304 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000378310190 532688559 /nfs/dbraw/zinc/68/85/59/532688559.db2.gz UIBQUDQSQFYOMA-DOTOQJQBSA-N 1 0 385.961 2.295 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1Cl ZINC000569148114 532689134 /nfs/dbraw/zinc/68/91/34/532689134.db2.gz FTPHBWMLSCLXKI-CQSZACIVSA-N 1 0 375.922 2.099 20 0 GEADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000639091506 532689460 /nfs/dbraw/zinc/68/94/60/532689460.db2.gz PDLOWYOWBGIXMF-INIZCTEOSA-N 1 0 375.270 2.493 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1cc(Cl)sc1Cl ZINC000536129455 532690833 /nfs/dbraw/zinc/69/08/33/532690833.db2.gz JCGMQLHDACGCLL-SNVBAGLBSA-N 1 0 379.313 2.194 20 0 GEADRO Cc1sc(NC(=O)CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(C)c1C ZINC000285750641 532703200 /nfs/dbraw/zinc/70/32/00/532703200.db2.gz WOFHKTHDULTACV-OAHLLOKOSA-N 1 0 387.571 2.215 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000569698363 532703886 /nfs/dbraw/zinc/70/38/86/532703886.db2.gz NKZNMBLCJQSVHF-ZDUSSCGKSA-N 1 0 384.318 2.002 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000666923281 532706555 /nfs/dbraw/zinc/70/65/55/532706555.db2.gz HYVBRFIDQXDFQC-RDJZCZTQSA-N 1 0 398.345 2.384 20 0 GEADRO C[C@H](NC(=O)C[NH+]1CCC(OCCO)CC1)c1ccc(Br)cc1 ZINC000391243425 532706648 /nfs/dbraw/zinc/70/66/48/532706648.db2.gz JTEWLCOYMHZKSH-ZDUSSCGKSA-N 1 0 385.302 2.100 20 0 GEADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000572613355 532707141 /nfs/dbraw/zinc/70/71/41/532707141.db2.gz YSBLVBYCBBFGOL-LBPRGKRZSA-N 1 0 379.262 2.292 20 0 GEADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000489563066 532707806 /nfs/dbraw/zinc/70/78/06/532707806.db2.gz BGBDNUCKJQQCHG-QGZVFWFLSA-N 1 0 392.341 2.329 20 0 GEADRO COC[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000572640532 532708102 /nfs/dbraw/zinc/70/81/02/532708102.db2.gz OMXNASQWMCTFNB-DLBZAZTESA-N 1 0 389.949 2.278 20 0 GEADRO Cc1cc(I)cnc1NC(=O)[C@H]1CCn2ccnc2C1 ZINC000440256821 532708403 /nfs/dbraw/zinc/70/84/03/532708403.db2.gz DGQLKSSTZDXOMH-JTQLQIEISA-N 1 0 382.205 2.392 20 0 GEADRO O=S(=O)(c1ccc(Br)cn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000266218014 532708599 /nfs/dbraw/zinc/70/85/99/532708599.db2.gz OTOOHYLIKKUIMP-UHFFFAOYSA-N 1 0 388.331 2.483 20 0 GEADRO Cc1nccnc1CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000572631860 532708620 /nfs/dbraw/zinc/70/86/20/532708620.db2.gz KAAQBTAWMXQBGS-CQSZACIVSA-N 1 0 384.249 2.259 20 0 GEADRO [NH3+][C@@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)C1CCC1 ZINC000573253817 532709685 /nfs/dbraw/zinc/70/96/85/532709685.db2.gz GELKZQWKSBIGMX-MRXNPFEDSA-N 1 0 382.302 2.029 20 0 GEADRO CN1CC[C@@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC000285798170 532709844 /nfs/dbraw/zinc/70/98/44/532709844.db2.gz LOXFQQKCJYJONB-RHSMWYFYSA-N 1 0 384.929 2.447 20 0 GEADRO C[N@@H+]1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@@H](c2ccccc2)C1 ZINC000643885408 532709998 /nfs/dbraw/zinc/70/99/98/532709998.db2.gz XBLHQFJHFHIPBC-QGZVFWFLSA-N 1 0 379.913 2.476 20 0 GEADRO CN(CC1=CCSC1)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000668370845 532711261 /nfs/dbraw/zinc/71/12/61/532711261.db2.gz DMDMAAAUNNZBKH-HNNXBMFYSA-N 1 0 379.551 2.133 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000440355606 532711605 /nfs/dbraw/zinc/71/16/05/532711605.db2.gz MOGDMPAZCARFCT-KOLCDFICSA-N 1 0 377.869 2.104 20 0 GEADRO CC[N@@H+]1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)[C@@H](C)C1 ZINC000573773866 532711803 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O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@@H]2CCCNC2=O)C1 ZINC000574378686 532713523 /nfs/dbraw/zinc/71/35/23/532713523.db2.gz KHAYJKSYZNOVKL-STQMWFEESA-N 1 0 395.301 2.021 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000408243435 532714039 /nfs/dbraw/zinc/71/40/39/532714039.db2.gz HOXYSPNHEAUMNZ-UHFFFAOYSA-N 1 0 398.248 2.334 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1Br ZINC000494317080 532717231 /nfs/dbraw/zinc/71/72/31/532717231.db2.gz KYNZHBIIWZHGBF-ZYHUDNBSSA-N 1 0 383.290 2.413 20 0 GEADRO Cc1ccsc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000538757320 532717821 /nfs/dbraw/zinc/71/78/21/532717821.db2.gz GMWSHQAGXZOFCP-IRXDYDNUSA-N 1 0 380.535 2.218 20 0 GEADRO COC[C@](C)(CC(=O)OC)NCCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000440560637 532717981 /nfs/dbraw/zinc/71/79/81/532717981.db2.gz SEYKRHZDSDUDIK-HNNXBMFYSA-N 1 0 398.308 2.325 20 0 GEADRO CC[NH+](CC)CCNC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000266430583 532720076 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2.392 20 0 GEADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000512273294 532777736 /nfs/dbraw/zinc/77/77/36/532777736.db2.gz ZJDHHBRXNKHJQM-SNVBAGLBSA-N 1 0 380.297 2.075 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000269256219 532777829 /nfs/dbraw/zinc/77/78/29/532777829.db2.gz HSDHEIYGBIBAGZ-OAHLLOKOSA-N 1 0 375.922 2.082 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000512270494 532778011 /nfs/dbraw/zinc/77/80/11/532778011.db2.gz MMYCXHHAGRQXAM-GUYCJALGSA-N 1 0 386.323 2.435 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CCCO1 ZINC000313351555 532778337 /nfs/dbraw/zinc/77/83/37/532778337.db2.gz XCAOELGVRFEJSD-SNVBAGLBSA-N 1 0 392.091 2.401 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CCCSCC1 ZINC000287004887 532778523 /nfs/dbraw/zinc/77/85/23/532778523.db2.gz IWXRGRUYFOMIEV-HNNXBMFYSA-N 1 0 381.567 2.042 20 0 GEADRO C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C1(S(C)(=O)=O)CC1 ZINC000512879572 532778616 /nfs/dbraw/zinc/77/86/16/532778616.db2.gz GNUCPMIKDWUWTK-VIFPVBQESA-N 1 0 376.272 2.233 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000512893203 532778629 /nfs/dbraw/zinc/77/86/29/532778629.db2.gz BFABFONGSMIJEF-ZBFHGGJFSA-N 1 0 380.539 2.403 20 0 GEADRO COC1(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCOCC1 ZINC000512873868 532778862 /nfs/dbraw/zinc/77/88/62/532778862.db2.gz GUOQKOGUHHLEPP-UHFFFAOYSA-N 1 0 397.324 2.057 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN[C@H](CCO)c2ccccc2Br)CC1 ZINC000411513978 532765332 /nfs/dbraw/zinc/76/53/32/532765332.db2.gz WBVZVHLELBIFQW-QGZVFWFLSA-N 1 0 398.345 2.063 20 0 GEADRO CC[NH2+]CCCNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000583751744 532766120 /nfs/dbraw/zinc/76/61/20/532766120.db2.gz UUCVWWBQWCQVCB-UHFFFAOYSA-N 1 0 380.539 2.235 20 0 GEADRO COC(=O)CNC(=O)CC[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509051237 532766411 /nfs/dbraw/zinc/76/64/11/532766411.db2.gz BAUAIBFSMJEPCC-UHFFFAOYSA-N 1 0 397.313 2.482 20 0 GEADRO CC[C@@H](C)[C@H](NC(=O)C(=O)NCC1(SC)CC[NH+](C)CC1)C(F)(F)F ZINC000411536979 532766603 /nfs/dbraw/zinc/76/66/03/532766603.db2.gz BVZCTCWTVWNAES-NEPJUHHUSA-N 1 0 383.480 2.023 20 0 GEADRO CC[C@H](C)[C@@H](NC(=O)C(=O)NCC1(SC)CC[NH+](C)CC1)C(F)(F)F ZINC000411536981 532766650 /nfs/dbraw/zinc/76/66/50/532766650.db2.gz BVZCTCWTVWNAES-NWDGAFQWSA-N 1 0 383.480 2.023 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CCCCCC1 ZINC000542177480 532766917 /nfs/dbraw/zinc/76/69/17/532766917.db2.gz SZLBIFTYQAPXRT-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451627922 532767413 /nfs/dbraw/zinc/76/74/13/532767413.db2.gz HPQKIDXCQUEBSE-JLJPHGGASA-N 1 0 380.330 2.432 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cnn2ccccc12)c1ccc(F)cc1Cl ZINC000509404432 532768597 /nfs/dbraw/zinc/76/85/97/532768597.db2.gz WWFVQKNBWWIQEQ-UHFFFAOYSA-N 1 0 382.848 2.195 20 0 GEADRO C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)CS2 ZINC000584524487 532768716 /nfs/dbraw/zinc/76/87/16/532768716.db2.gz IIQBJLSZOBDVEO-DAYGRLMNSA-N 1 0 379.913 2.267 20 0 GEADRO CS[C@@H]1CN(C[C@H](O)COc2ccccc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000542265350 532768729 /nfs/dbraw/zinc/76/87/29/532768729.db2.gz OLQANQQKADCOFQ-DUVNUKRYSA-N 1 0 378.460 2.423 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1cccc(I)c1 ZINC000509462246 532771215 /nfs/dbraw/zinc/77/12/15/532771215.db2.gz GZELUROPUDDNHH-RYUDHWBXSA-N 1 0 387.265 2.254 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1OC(F)F ZINC000411642656 532772347 /nfs/dbraw/zinc/77/23/47/532772347.db2.gz ZBCBECYRUFMVBT-QWHCGFSZSA-N 1 0 378.441 2.247 20 0 GEADRO C[NH+](C)CCOCCNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000542461879 532772653 /nfs/dbraw/zinc/77/26/53/532772653.db2.gz QJSAHHUJWABHDA-GFCCVEGCSA-N 1 0 388.295 2.041 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000268828029 532772733 /nfs/dbraw/zinc/77/27/33/532772733.db2.gz VOHMRIZUCQQROH-VIFPVBQESA-N 1 0 376.682 2.497 20 0 GEADRO CS(=O)(=O)Cc1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1 ZINC000286874636 532772933 /nfs/dbraw/zinc/77/29/33/532772933.db2.gz ZFTCCCXTEORUCH-UHFFFAOYSA-N 1 0 379.507 2.407 20 0 GEADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000315012487 532782229 /nfs/dbraw/zinc/78/22/29/532782229.db2.gz UPGMIJGXWDMIKD-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO CC[C@@H](C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC000456493203 532782332 /nfs/dbraw/zinc/78/23/32/532782332.db2.gz SRVWECFLNDAUSG-NHYWBVRUSA-N 1 0 375.282 2.196 20 0 GEADRO CC[C@H](C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC000456493206 532782563 /nfs/dbraw/zinc/78/25/63/532782563.db2.gz SRVWECFLNDAUSG-XHDPSFHLSA-N 1 0 375.282 2.196 20 0 GEADRO CC(C)(CN1CCOCC1)[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000412002665 532783490 /nfs/dbraw/zinc/78/34/90/532783490.db2.gz MSWUJNMPNHWGTE-UHFFFAOYSA-N 1 0 385.262 2.293 20 0 GEADRO CNC(=O)NC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000412055610 532784725 /nfs/dbraw/zinc/78/47/25/532784725.db2.gz PLSWPMXCSHQDIT-LBPRGKRZSA-N 1 0 376.284 2.127 20 0 GEADRO O=C(CCOc1ccccc1Br)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000269621265 532784867 /nfs/dbraw/zinc/78/48/67/532784867.db2.gz TWTRUQHSRUTLHA-CQSZACIVSA-N 1 0 385.302 2.181 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000287235006 532787734 /nfs/dbraw/zinc/78/77/34/532787734.db2.gz PPUFKRZKTHXJJS-WFASDCNBSA-N 1 0 382.302 2.120 20 0 GEADRO Cc1c(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)sc1S(N)(=O)=O ZINC000287266685 532789096 /nfs/dbraw/zinc/78/90/96/532789096.db2.gz SEDRYXVAJFXFHQ-GHMZBOCLSA-N 1 0 391.946 2.056 20 0 GEADRO COc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1I ZINC000457201655 532789319 /nfs/dbraw/zinc/78/93/19/532789319.db2.gz GUKSGNULOVZPAR-UHFFFAOYSA-N 1 0 376.238 2.370 20 0 GEADRO Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1Cl ZINC000326444613 532790172 /nfs/dbraw/zinc/79/01/72/532790172.db2.gz VMEGLGDBEOGIDZ-CYBMUJFWSA-N 1 0 392.352 2.278 20 0 GEADRO C[C@@H]1CSCCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000287295692 532790678 /nfs/dbraw/zinc/79/06/78/532790678.db2.gz ZSHBDLSXZFPUAQ-CABCVRRESA-N 1 0 381.567 2.040 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1Br ZINC000287315135 532791368 /nfs/dbraw/zinc/79/13/68/532791368.db2.gz GZXCMIMXHOOKEN-LBPRGKRZSA-N 1 0 393.285 2.287 20 0 GEADRO CC[N@H+](CCNC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CC1 ZINC000458200820 532792401 /nfs/dbraw/zinc/79/24/01/532792401.db2.gz UDERVEWSMNYORY-CVEARBPZSA-N 1 0 397.317 2.458 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cccc(I)c1)[NH+]1CCCC1 ZINC000548697093 532792927 /nfs/dbraw/zinc/79/29/27/532792927.db2.gz GWPYXNGJVUKSIH-LLVKDONJSA-N 1 0 394.278 2.054 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)Cc2cc(F)ccc2Br)ccc1=O ZINC000270081360 532794385 /nfs/dbraw/zinc/79/43/85/532794385.db2.gz IQFKATNMVRQLAH-UHFFFAOYSA-N 1 0 396.260 2.493 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000314379847 532780907 /nfs/dbraw/zinc/78/09/07/532780907.db2.gz TWIGXJLNCLBJLA-JQWIXIFHSA-N 1 0 377.304 2.171 20 0 GEADRO CN(C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCSC1 ZINC000287067763 532781347 /nfs/dbraw/zinc/78/13/47/532781347.db2.gz MNFZLONKPPIEFQ-HNNXBMFYSA-N 1 0 381.567 2.040 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)[C@H](C)C1 ZINC000554540226 532804988 /nfs/dbraw/zinc/80/49/88/532804988.db2.gz NTPFFKVNMRTIKU-DLTLXFJOSA-N 1 0 396.329 2.402 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc1Cl ZINC000271519840 532807623 /nfs/dbraw/zinc/80/76/23/532807623.db2.gz CLJUSONCMQKIKQ-JTQLQIEISA-N 1 0 392.283 2.023 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1nccn2c(Br)cnc12 ZINC000271527480 532807780 /nfs/dbraw/zinc/80/77/80/532807780.db2.gz XKJNDFIBRDWUGD-UHFFFAOYSA-N 1 0 392.257 2.289 20 0 GEADRO O[C@H](CNCc1ccc(Br)cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000555626469 532808208 /nfs/dbraw/zinc/80/82/08/532808208.db2.gz XPDHEPRNEITMMA-GOSISDBHSA-N 1 0 376.298 2.353 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000287801321 532809710 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C[NH+](C)CC1CCC(NC(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000550820340 532798774 /nfs/dbraw/zinc/79/87/74/532798774.db2.gz BNZPKDWKPIJUFK-UHFFFAOYSA-N 1 0 396.329 2.302 20 0 GEADRO O=C(C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1)NC(=O)NCc1cccs1 ZINC000551119925 532799549 /nfs/dbraw/zinc/79/95/49/532799549.db2.gz LCFGFYAARZSDLT-ZIAGYGMSSA-N 1 0 383.539 2.060 20 0 GEADRO Cc1nc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)sc1Br ZINC000328867146 532799700 /nfs/dbraw/zinc/79/97/00/532799700.db2.gz WYCDKXXGHPUGFS-ZDUSSCGKSA-N 1 0 394.360 2.320 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(I)c1 ZINC000551590413 532800610 /nfs/dbraw/zinc/80/06/10/532800610.db2.gz CCPSEVMWNAKBNY-LSDHHAIUSA-N 1 0 391.249 2.201 20 0 GEADRO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000462211872 532801782 /nfs/dbraw/zinc/80/17/82/532801782.db2.gz IQLILEVIHCNXBH-GFCCVEGCSA-N 1 0 378.464 2.472 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000271036252 532803368 /nfs/dbraw/zinc/80/33/68/532803368.db2.gz YPKUHCRKGYYWRR-ZDUSSCGKSA-N 1 0 376.881 2.060 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CCSC1 ZINC000287914317 532813332 /nfs/dbraw/zinc/81/33/32/532813332.db2.gz ZUBVKLKDRROWHV-MRXNPFEDSA-N 1 0 384.889 2.230 20 0 GEADRO CC(C)S(=O)(=O)CC[NH2+]C(C)(C)COc1ncccc1Br ZINC000272403309 532815119 /nfs/dbraw/zinc/81/51/19/532815119.db2.gz XOAHDEQJUPTNRK-UHFFFAOYSA-N 1 0 379.320 2.414 20 0 GEADRO O=C(Nc1ccncc1I)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000272394438 532815142 /nfs/dbraw/zinc/81/51/42/532815142.db2.gz WMHCICUCBDJYCK-NSHDSACASA-N 1 0 384.221 2.164 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CC[C@@H]21 ZINC000330159869 532815180 /nfs/dbraw/zinc/81/51/80/532815180.db2.gz RIIVRJJOFQMNKB-FZMZJTMJSA-N 1 0 377.432 2.273 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000272214037 532813584 /nfs/dbraw/zinc/81/35/84/532813584.db2.gz HWXHNXCYQLVORE-HTQZYQBOSA-N 1 0 380.176 2.379 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cncc(I)c1 ZINC000272240966 532813608 /nfs/dbraw/zinc/81/36/08/532813608.db2.gz XKGLXBXDMKVNDN-LLVKDONJSA-N 1 0 387.265 2.489 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)[nH]1 ZINC000272740695 532817848 /nfs/dbraw/zinc/81/78/48/532817848.db2.gz KZROLTYFMHYDQO-LBPRGKRZSA-N 1 0 383.242 2.093 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)c3ncsc3Br)CC2)CC1 ZINC000288074877 532816641 /nfs/dbraw/zinc/81/66/41/532816641.db2.gz RFYWFKJRYCFEBB-UHFFFAOYSA-N 1 0 387.347 2.005 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000414082910 532818651 /nfs/dbraw/zinc/81/86/51/532818651.db2.gz WNNSMQVVGADZDK-SWLSCSKDSA-N 1 0 399.260 2.168 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000414082914 532818846 /nfs/dbraw/zinc/81/88/46/532818846.db2.gz WNNSMQVVGADZDK-WFASDCNBSA-N 1 0 399.260 2.168 20 0 GEADRO C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(Br)cc1F ZINC000288173695 532819710 /nfs/dbraw/zinc/81/97/10/532819710.db2.gz CPGBMWQVVMGZCN-BONVTDFDSA-N 1 0 376.270 2.261 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)[C@@H]1n1cccn1 ZINC000414149583 532819900 /nfs/dbraw/zinc/81/99/00/532819900.db2.gz UWWWTMDJUNCIRV-JWDQPFGJSA-N 1 0 395.301 2.204 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000288186999 532820075 /nfs/dbraw/zinc/82/00/75/532820075.db2.gz SQGMUNXFNSHILW-UHFFFAOYSA-N 1 0 380.645 2.200 20 0 GEADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000414200744 532820195 /nfs/dbraw/zinc/82/01/95/532820195.db2.gz XQACZQWOSXWIHL-IXPVHAAZSA-N 1 0 383.315 2.474 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1Br ZINC000414384965 532823738 /nfs/dbraw/zinc/82/37/38/532823738.db2.gz WCXYGFCDRXEFMN-MRVWCRGKSA-N 1 0 389.315 2.144 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N(C)CC[NH+](C)C)cc1Cl ZINC000288247636 532821873 /nfs/dbraw/zinc/82/18/73/532821873.db2.gz GOKHKRPNZLYDIR-UHFFFAOYSA-N 1 0 385.313 2.201 20 0 GEADRO CC(C)([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Br)cc1 ZINC000330586272 532822010 /nfs/dbraw/zinc/82/20/10/532822010.db2.gz UZXWUFMDMJLNSU-UHFFFAOYSA-N 1 0 376.316 2.214 20 0 GEADRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414356287 532822020 /nfs/dbraw/zinc/82/20/20/532822020.db2.gz DNNVINFDBPTAFP-STQMWFEESA-N 1 0 377.304 2.144 20 0 GEADRO Cc1cc(C[NH2+]CCNS(=O)(=O)Cc2ccon2)ccc1C(F)(F)F ZINC000414361144 532822410 /nfs/dbraw/zinc/82/24/10/532822410.db2.gz HLUYUFKRKGKKHW-UHFFFAOYSA-N 1 0 377.388 2.211 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000273414627 532823195 /nfs/dbraw/zinc/82/31/95/532823195.db2.gz JLAIQCMFMDPQFK-GFCCVEGCSA-N 1 0 388.917 2.462 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000414378804 532823378 /nfs/dbraw/zinc/82/33/78/532823378.db2.gz LOYGKIRIPYCDAF-UHFFFAOYSA-N 1 0 380.853 2.495 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1Cl ZINC000330639340 532823438 /nfs/dbraw/zinc/82/34/38/532823438.db2.gz HDXZYAGLDGCQLZ-CQSZACIVSA-N 1 0 385.917 2.412 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000288370213 532825445 /nfs/dbraw/zinc/82/54/45/532825445.db2.gz HTHJBJZMYGVPDK-JTQLQIEISA-N 1 0 382.262 2.248 20 0 GEADRO CC[C@H]1CN(C(=O)c2ccc(OC)c(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000330685571 532825492 /nfs/dbraw/zinc/82/54/92/532825492.db2.gz LLURORMLXDDCLB-OCCSQVGLSA-N 1 0 385.302 2.375 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000288406793 532826351 /nfs/dbraw/zinc/82/63/51/532826351.db2.gz JLIYHXHWLOLBSI-VWYCJHECSA-N 1 0 380.436 2.319 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000273556178 532826672 /nfs/dbraw/zinc/82/66/72/532826672.db2.gz XDYQGKWSVFPTJX-LBPRGKRZSA-N 1 0 388.917 2.477 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cc(C)n(C)n1 ZINC000414453063 532828489 /nfs/dbraw/zinc/82/84/89/532828489.db2.gz AUVMOKSFPNSWGM-ZDUSSCGKSA-N 1 0 382.302 2.440 20 0 GEADRO COCCN(C)c1ccc(C[NH2+]CCCn2cc(Br)cn2)cn1 ZINC000288527413 532830224 /nfs/dbraw/zinc/83/02/24/532830224.db2.gz VHHQVAKMVGWXFU-UHFFFAOYSA-N 1 0 382.306 2.303 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000288493310 532829441 /nfs/dbraw/zinc/82/94/41/532829441.db2.gz AROFTIQTQLOQBO-ZIAGYGMSSA-N 1 0 393.242 2.313 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c1 ZINC000414467346 532829727 /nfs/dbraw/zinc/82/97/27/532829727.db2.gz YRYRYIBVTREHOA-KBPBESRZSA-N 1 0 377.304 2.219 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000414559395 532831588 /nfs/dbraw/zinc/83/15/88/532831588.db2.gz OXYPCQKWVULFFT-PBHICJAKSA-N 1 0 380.286 2.118 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000331013250 532832119 /nfs/dbraw/zinc/83/21/19/532832119.db2.gz FQGSPVMTZZWEPF-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000414560576 532832593 /nfs/dbraw/zinc/83/25/93/532832593.db2.gz QYHWCVSDDNLPBG-KDOFPFPSSA-N 1 0 394.313 2.427 20 0 GEADRO CO[C@H]1CCN(C(=O)Nc2ccccc2I)[C@H](C[NH3+])C1 ZINC000414662376 532834289 /nfs/dbraw/zinc/83/42/89/532834289.db2.gz PYWSJHPFMHAIQE-QWRGUYRKSA-N 1 0 389.237 2.261 20 0 GEADRO CCC[N@H+](C)[C@H](CNC(=O)C(=O)Nc1cnns1)c1ccc(Cl)cc1 ZINC000288613352 532833064 /nfs/dbraw/zinc/83/30/64/532833064.db2.gz RCSYTPKFPIWHKA-CYBMUJFWSA-N 1 0 381.889 2.329 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000414735244 532834938 /nfs/dbraw/zinc/83/49/38/532834938.db2.gz CFWMIJUALOBYFJ-SECBINFHSA-N 1 0 379.408 2.013 20 0 GEADRO O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331135991 532834049 /nfs/dbraw/zinc/83/40/49/532834049.db2.gz IGWSYKDVRVWBFI-GFCCVEGCSA-N 1 0 380.229 2.281 20 0 GEADRO COc1cc(CNC[C@H]2CCC[NH2+]2)cc(I)c1OC ZINC000414822301 532835665 /nfs/dbraw/zinc/83/56/65/532835665.db2.gz DOYZGGBFFYLWEO-LLVKDONJSA-N 1 0 376.238 2.150 20 0 GEADRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000331195870 532835748 /nfs/dbraw/zinc/83/57/48/532835748.db2.gz YCZQXNSBMQEWOO-GJZGRUSLSA-N 1 0 376.316 2.364 20 0 GEADRO CN(C(=O)Nc1cc(Br)ccc1N1CCOCC1)[C@@H](C[NH3+])C1CC1 ZINC000414924843 532836040 /nfs/dbraw/zinc/83/60/40/532836040.db2.gz HUGUCQMCDVIGAB-INIZCTEOSA-N 1 0 397.317 2.487 20 0 GEADRO COCCNCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414883289 532835103 /nfs/dbraw/zinc/83/51/03/532835103.db2.gz MKOIGKNFGDLCHO-UHFFFAOYSA-N 1 0 398.345 2.188 20 0 GEADRO O=C(Nc1ccc(I)cc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000414793392 532835181 /nfs/dbraw/zinc/83/51/81/532835181.db2.gz KKTQJLKUZUQFNI-VROVMSAKSA-N 1 0 377.613 2.284 20 0 GEADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000331177238 532835371 /nfs/dbraw/zinc/83/53/71/532835371.db2.gz KIJNIKZWYNEQLA-HUUCEWRRSA-N 1 0 387.933 2.345 20 0 GEADRO [NH3+]CC[C@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)C(F)F ZINC000414983819 532836737 /nfs/dbraw/zinc/83/67/37/532836737.db2.gz CKQKOMPTEUBSBW-HNNXBMFYSA-N 1 0 377.863 2.123 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414977901 532836772 /nfs/dbraw/zinc/83/67/72/532836772.db2.gz QXICMIJFDSGKRW-LLVKDONJSA-N 1 0 382.224 2.341 20 0 GEADRO Cc1cc(Br)cc(CNC[C@@H]2C[NH2+]CCN2C)c1OC(F)F ZINC000414969194 532836838 /nfs/dbraw/zinc/83/68/38/532836838.db2.gz SLHNDWHGDWVBQV-ZDUSSCGKSA-N 1 0 378.261 2.352 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000415078022 532837199 /nfs/dbraw/zinc/83/71/99/532837199.db2.gz VFTWBFMNRUYXFB-SECBINFHSA-N 1 0 399.179 2.404 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000415076662 532837486 /nfs/dbraw/zinc/83/74/86/532837486.db2.gz SDMRFOVBWKHQJE-TVQRCGJNSA-N 1 0 389.237 2.419 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415116615 532837941 /nfs/dbraw/zinc/83/79/41/532837941.db2.gz BRNJVLWEJNMFQR-UHFFFAOYSA-N 1 0 385.306 2.265 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)Nc2ccncc2I)CC1 ZINC000273952907 532838333 /nfs/dbraw/zinc/83/83/33/532838333.db2.gz YKVQFYHYICMXIJ-UHFFFAOYSA-N 1 0 388.253 2.492 20 0 GEADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)cc1 ZINC000415168875 532838396 /nfs/dbraw/zinc/83/83/96/532838396.db2.gz VVQPVXPZFBZPIJ-BXUZGUMPSA-N 1 0 376.507 2.418 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCn1cc(Br)cn1 ZINC000288805087 532838537 /nfs/dbraw/zinc/83/85/37/532838537.db2.gz JLKWEWIIIIBRNS-DZGCQCFKSA-N 1 0 384.322 2.304 20 0 GEADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCSC[C@H]2c2nccs2)cc1 ZINC000415168878 532838540 /nfs/dbraw/zinc/83/85/40/532838540.db2.gz VVQPVXPZFBZPIJ-RISCZKNCSA-N 1 0 376.507 2.418 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331390686 532838682 /nfs/dbraw/zinc/83/86/82/532838682.db2.gz JGENQUKZEFIBPU-QGZVFWFLSA-N 1 0 398.276 2.437 20 0 GEADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000415233791 532839468 /nfs/dbraw/zinc/83/94/68/532839468.db2.gz WRIJBMCBNZBRSL-GFCCVEGCSA-N 1 0 399.314 2.280 20 0 GEADRO COc1ccccc1COC[C@H](O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000288831926 532839545 /nfs/dbraw/zinc/83/95/45/532839545.db2.gz NYKOGYNJWIODPL-MRXNPFEDSA-N 1 0 398.301 2.164 20 0 GEADRO CC[C@@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)Cc1cccc(Br)c1 ZINC000288832577 532839591 /nfs/dbraw/zinc/83/95/91/532839591.db2.gz VBNKRYQOCXRZTP-DOMZBBRYSA-N 1 0 385.302 2.415 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000288826643 532839633 /nfs/dbraw/zinc/83/96/33/532839633.db2.gz USEZZUPEHOXNKC-AWEZNQCLSA-N 1 0 383.286 2.220 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1Cl)C(=O)NC1CC[NH2+]CC1 ZINC000415264854 532839703 /nfs/dbraw/zinc/83/97/03/532839703.db2.gz CYGSDIDTIZYPNY-UHFFFAOYSA-N 1 0 378.629 2.048 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000415268459 532839938 /nfs/dbraw/zinc/83/99/38/532839938.db2.gz JSLIGTJIBJQUFL-JTQLQIEISA-N 1 0 394.191 2.356 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)Nc1ccc(F)cc1I ZINC000415247194 532840014 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CO[C@H]1CCN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)[C@@H](C[NH3+])C1 ZINC000415498036 532847927 /nfs/dbraw/zinc/84/79/27/532847927.db2.gz IXMVXVMFHZBWSB-OLZOCXBDSA-N 1 0 381.889 2.829 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415514529 532848401 /nfs/dbraw/zinc/84/84/01/532848401.db2.gz ZTWNVEWBQXTNIE-QMMMGPOBSA-N 1 0 392.681 2.151 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)C1CC1 ZINC000415531271 532848721 /nfs/dbraw/zinc/84/87/21/532848721.db2.gz DSMFAIPOTRBWDG-JTQLQIEISA-N 1 0 379.766 2.073 20 0 GEADRO COCC[NH2+]CCNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415522959 532848725 /nfs/dbraw/zinc/84/87/25/532848725.db2.gz FCJOYIFKVWNLCR-UHFFFAOYSA-N 1 0 396.289 2.051 20 0 GEADRO Cc1cc(C)c(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000415528785 532848753 /nfs/dbraw/zinc/84/87/53/532848753.db2.gz MSDAEIMEGXDTKZ-ZDUSSCGKSA-N 1 0 397.317 2.385 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CCO1 ZINC000415525709 532848807 /nfs/dbraw/zinc/84/88/07/532848807.db2.gz WVRVPUKJBBHCNT-GFCCVEGCSA-N 1 0 384.267 2.430 20 0 GEADRO O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000415522752 532848836 /nfs/dbraw/zinc/84/88/36/532848836.db2.gz QNYKSWSHAUKFMA-NSHDSACASA-N 1 0 386.283 2.064 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415522937 532848881 /nfs/dbraw/zinc/84/88/81/532848881.db2.gz XMIHRFKDIGQZEU-UHFFFAOYSA-N 1 0 379.258 2.052 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000274394125 532849211 /nfs/dbraw/zinc/84/92/11/532849211.db2.gz ICQBJGDWIKSQRY-OCCSQVGLSA-N 1 0 380.286 2.439 20 0 GEADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000289192333 532849290 /nfs/dbraw/zinc/84/92/90/532849290.db2.gz UFMWOOXXJOROJK-DGCLKSJQSA-N 1 0 386.279 2.254 20 0 GEADRO COCCOCCOCCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000274405382 532849429 /nfs/dbraw/zinc/84/94/29/532849429.db2.gz NNDOCSDIIVGKJI-UHFFFAOYSA-N 1 0 386.290 2.256 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415544897 532849439 /nfs/dbraw/zinc/84/94/39/532849439.db2.gz IAFJTKOOCCJVEK-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415534710 532849547 /nfs/dbraw/zinc/84/95/47/532849547.db2.gz YIPRYXMJYBCVPX-WDEREUQCSA-N 1 0 391.269 2.132 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000415539733 532849335 /nfs/dbraw/zinc/84/93/35/532849335.db2.gz VVZXSXKYTOCNIK-JTQLQIEISA-N 1 0 394.191 2.260 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000332178107 532849664 /nfs/dbraw/zinc/84/96/64/532849664.db2.gz NZPIZPCDFOKHCO-VHRBIJSZSA-N 1 0 386.905 2.303 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415554138 532849903 /nfs/dbraw/zinc/84/99/03/532849903.db2.gz AZOIZJIFKAXPLT-SFYZADRCSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415551447 532849911 /nfs/dbraw/zinc/84/99/11/532849911.db2.gz DMHMHZXUXARLLI-WDEREUQCSA-N 1 0 391.269 2.145 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415548620 532849950 /nfs/dbraw/zinc/84/99/50/532849950.db2.gz FKQMOELGTNBKJO-UHFFFAOYSA-N 1 0 398.276 2.437 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000274446542 532850512 /nfs/dbraw/zinc/85/05/12/532850512.db2.gz HSVDLYVYZNNXQB-CYBMUJFWSA-N 1 0 379.448 2.418 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000415569549 532850594 /nfs/dbraw/zinc/85/05/94/532850594.db2.gz RPNKBXDRATZMQW-SFYZADRCSA-N 1 0 392.656 2.389 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000289242464 532850842 /nfs/dbraw/zinc/85/08/42/532850842.db2.gz OYJNZWLWHRGVKU-ZJUUUORDSA-N 1 0 380.436 2.186 20 0 GEADRO C[C@]1(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCC[NH2+]C1 ZINC000415573155 532850857 /nfs/dbraw/zinc/85/08/57/532850857.db2.gz PLXGOKCZSQUNGY-HNNXBMFYSA-N 1 0 390.228 2.172 20 0 GEADRO C[C@]1(CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CCC[NH2+]C1 ZINC000415576232 532850944 /nfs/dbraw/zinc/85/09/44/532850944.db2.gz VTDYMZFVVCGYBB-INIZCTEOSA-N 1 0 375.803 2.386 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000415619260 532851279 /nfs/dbraw/zinc/85/12/79/532851279.db2.gz SKJFOHYGTRFJKI-CYBMUJFWSA-N 1 0 382.789 2.287 20 0 GEADRO Cc1c(Br)ccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1F ZINC000415633504 532851648 /nfs/dbraw/zinc/85/16/48/532851648.db2.gz VSKUBOAYKJRUDB-GFCCVEGCSA-N 1 0 385.281 2.408 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1Br ZINC000415614506 532851456 /nfs/dbraw/zinc/85/14/56/532851456.db2.gz OVBJOBZQOSKYJA-GHMZBOCLSA-N 1 0 382.258 2.309 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415645549 532851976 /nfs/dbraw/zinc/85/19/76/532851976.db2.gz BPPYKRRPDQQHOZ-ZWNOBZJWSA-N 1 0 391.269 2.050 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332348369 532852117 /nfs/dbraw/zinc/85/21/17/532852117.db2.gz UEKWDLLEFRSXCM-VHSXEESVSA-N 1 0 386.677 2.109 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415632717 532851716 /nfs/dbraw/zinc/85/17/16/532851716.db2.gz WEILQIPFUAVSCL-VIFPVBQESA-N 1 0 388.237 2.496 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)C[C@@H]21 ZINC000332301606 532851779 /nfs/dbraw/zinc/85/17/79/532851779.db2.gz GAWRLFFTMGAMEH-XHVZSJERSA-N 1 0 384.249 2.113 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415642534 532851797 /nfs/dbraw/zinc/85/17/97/532851797.db2.gz HRPNDXPHNGJVKI-GHMZBOCLSA-N 1 0 384.274 2.172 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415656252 532852195 /nfs/dbraw/zinc/85/21/95/532852195.db2.gz LBEVYXUXMHRGDM-ONGXEEELSA-N 1 0 375.803 2.037 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415650954 532852252 /nfs/dbraw/zinc/85/22/52/532852252.db2.gz BVWYYFIZQAHVHN-DGCLKSJQSA-N 1 0 398.301 2.432 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415648751 532852319 /nfs/dbraw/zinc/85/23/19/532852319.db2.gz PBPUDUPDUMBEAS-GHMZBOCLSA-N 1 0 391.269 2.322 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415647460 532852386 /nfs/dbraw/zinc/85/23/86/532852386.db2.gz AKTXWOJZHHRZMN-ZWNOBZJWSA-N 1 0 391.269 2.050 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415663438 532852533 /nfs/dbraw/zinc/85/25/33/532852533.db2.gz SCCINSQBQPFCPC-RDDDGLTNSA-N 1 0 392.656 2.294 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415660476 532852538 /nfs/dbraw/zinc/85/25/38/532852538.db2.gz WQQUNQOZXUCKHY-QWRGUYRKSA-N 1 0 381.274 2.046 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415661064 532852544 /nfs/dbraw/zinc/85/25/44/532852544.db2.gz WYNWBJDTTIYSNF-NEPJUHHUSA-N 1 0 384.274 2.172 20 0 GEADRO Cc1nc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(Br)s1 ZINC000332358549 532852569 /nfs/dbraw/zinc/85/25/69/532852569.db2.gz SSYDTVVALYLFLH-VIFPVBQESA-N 1 0 375.292 2.334 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332358415 532852589 /nfs/dbraw/zinc/85/25/89/532852589.db2.gz QDRXDWLHJKOCEU-WDMOLILDSA-N 1 0 398.276 2.421 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000274607191 532852663 /nfs/dbraw/zinc/85/26/63/532852663.db2.gz GSUOOUSUKGRPAK-UHFFFAOYSA-N 1 0 376.906 2.128 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000415661475 532852713 /nfs/dbraw/zinc/85/27/13/532852713.db2.gz VBHLBSQHZWWLED-SECBINFHSA-N 1 0 376.682 2.464 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415658208 532852756 /nfs/dbraw/zinc/85/27/56/532852756.db2.gz QQIGJPBZPHGFDH-DGCLKSJQSA-N 1 0 398.301 2.289 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415666362 532853031 /nfs/dbraw/zinc/85/30/31/532853031.db2.gz WDJQBWIWXRSLOB-ZYHUDNBSSA-N 1 0 384.274 2.043 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415666356 532853052 /nfs/dbraw/zinc/85/30/52/532853052.db2.gz WDJQBWIWXRSLOB-CMPLNLGQSA-N 1 0 384.274 2.043 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415676484 532853176 /nfs/dbraw/zinc/85/31/76/532853176.db2.gz MINFYLAXXKZXJO-YPMHNXCESA-N 1 0 398.301 2.432 20 0 GEADRO CS(=O)(=O)Nc1cccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000332357067 532852826 /nfs/dbraw/zinc/85/28/26/532852826.db2.gz ZZXMGNHRLVCOCG-MRXNPFEDSA-N 1 0 383.539 2.214 20 0 GEADRO CSC1(CNC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC000332360208 532852840 /nfs/dbraw/zinc/85/28/40/532852840.db2.gz WHRDZQPAHRUDTN-OAHLLOKOSA-N 1 0 383.480 2.303 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(Br)c(F)c3)CC2)C1=O ZINC000332354850 532852943 /nfs/dbraw/zinc/85/29/43/532852943.db2.gz ZKRSNQQOTGXWSZ-HNNXBMFYSA-N 1 0 398.276 2.013 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332369573 532853300 /nfs/dbraw/zinc/85/33/00/532853300.db2.gz YPYQKRNJRBUVBX-NXEZZACHSA-N 1 0 386.677 2.109 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415682916 532853728 /nfs/dbraw/zinc/85/37/28/532853728.db2.gz YSFAFDFIQUAHQE-AWEZNQCLSA-N 1 0 398.301 2.291 20 0 GEADRO Brc1cnc(CNCCN2CCCOCC2)c(Br)c1 ZINC000289420870 532853868 /nfs/dbraw/zinc/85/38/68/532853868.db2.gz JDWHYETXDOXRIB-UHFFFAOYSA-N 1 0 393.123 2.419 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000332381028 532854020 /nfs/dbraw/zinc/85/40/20/532854020.db2.gz VARLOEDDULGLLU-SGMGOOAPSA-N 1 0 380.286 2.282 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1Br ZINC000415709024 532854560 /nfs/dbraw/zinc/85/45/60/532854560.db2.gz OQTBALGXCYYRQS-ZYHUDNBSSA-N 1 0 383.290 2.448 20 0 GEADRO Cc1cc(Br)cc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000332408040 532854562 /nfs/dbraw/zinc/85/45/62/532854562.db2.gz PYCNIDQCRGDNOT-MRXNPFEDSA-N 1 0 394.313 2.182 20 0 GEADRO [NH3+]CCCN(CC1CCCC1)C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000415711678 532854572 /nfs/dbraw/zinc/85/45/72/532854572.db2.gz OLPICRLTOLRQRF-UHFFFAOYSA-N 1 0 378.420 2.468 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000415720111 532854725 /nfs/dbraw/zinc/85/47/25/532854725.db2.gz DGPPFTWZJWKBHG-HAQNSBGRSA-N 1 0 398.301 2.278 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415738202 532854907 /nfs/dbraw/zinc/85/49/07/532854907.db2.gz DXWTUCVXFRNPBW-GXTWGEPZSA-N 1 0 380.286 2.200 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000415736625 532854980 /nfs/dbraw/zinc/85/49/80/532854980.db2.gz AXLGCDIOIYSBFG-LLVKDONJSA-N 1 0 386.290 2.420 20 0 GEADRO O=c1nc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)[nH][nH]1 ZINC000289440817 532855419 /nfs/dbraw/zinc/85/54/19/532855419.db2.gz OJZPVTPOUCPARA-JQWIXIFHSA-N 1 0 387.267 2.024 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415738263 532855138 /nfs/dbraw/zinc/85/51/38/532855138.db2.gz FCPJENMHCLTXCG-MRVPVSSYSA-N 1 0 378.217 2.300 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415740165 532855173 /nfs/dbraw/zinc/85/51/73/532855173.db2.gz IKUZAPUJMSDPFJ-DZGCQCFKSA-N 1 0 380.286 2.200 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CCO1 ZINC000274742633 532855653 /nfs/dbraw/zinc/85/56/53/532855653.db2.gz FHCNQIHETJBYNE-SNVBAGLBSA-N 1 0 383.235 2.375 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415761327 532855890 /nfs/dbraw/zinc/85/58/90/532855890.db2.gz GPJZHDSUCMJHCV-OCCSQVGLSA-N 1 0 380.286 2.160 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000332466049 532855904 /nfs/dbraw/zinc/85/59/04/532855904.db2.gz QOOFJTILWAUCQK-WDEREUQCSA-N 1 0 384.274 2.112 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000415744918 532855443 /nfs/dbraw/zinc/85/54/43/532855443.db2.gz LRTCJNIWSFHKMI-WDEREUQCSA-N 1 0 386.279 2.399 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415763134 532856328 /nfs/dbraw/zinc/85/63/28/532856328.db2.gz NPTDXWXHQWGAGL-GFCCVEGCSA-N 1 0 398.276 2.375 20 0 GEADRO O=C1NCCN1CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000289482094 532856384 /nfs/dbraw/zinc/85/63/84/532856384.db2.gz RVKLSLPONOBUAM-GFCCVEGCSA-N 1 0 396.207 2.116 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415766771 532856442 /nfs/dbraw/zinc/85/64/42/532856442.db2.gz MEMGXWRUAOPYSN-ONGXEEELSA-N 1 0 386.677 2.251 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000415762039 532856486 /nfs/dbraw/zinc/85/64/86/532856486.db2.gz ORAXSBMLRPPCJP-UHFFFAOYSA-N 1 0 390.267 2.352 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415780022 532856899 /nfs/dbraw/zinc/85/68/99/532856899.db2.gz HZQZWDIDAISOCG-RQJHMYQMSA-N 1 0 398.179 2.138 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415773082 532856769 /nfs/dbraw/zinc/85/67/69/532856769.db2.gz LMYDJFZHXNHPPN-MWLCHTKSSA-N 1 0 389.237 2.419 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000415784689 532857169 /nfs/dbraw/zinc/85/71/69/532857169.db2.gz HPBNXYMSTNEXDI-FOCQTFQBSA-N 1 0 384.249 2.159 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415781477 532857318 /nfs/dbraw/zinc/85/73/18/532857318.db2.gz FJRHUIWOPBJJCF-ZETCQYMHSA-N 1 0 382.180 2.260 20 0 GEADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)c2)s1 ZINC000415781143 532857388 /nfs/dbraw/zinc/85/73/88/532857388.db2.gz JIXDFCGUYASIAE-UWVGGRQHSA-N 1 0 379.511 2.097 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc1Br ZINC000415788768 532857395 /nfs/dbraw/zinc/85/73/95/532857395.db2.gz MWXKXFSAPVQXNO-JTQLQIEISA-N 1 0 378.217 2.103 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CCO1 ZINC000274824655 532857472 /nfs/dbraw/zinc/85/74/72/532857472.db2.gz TUYMXFUVXQIOFF-LLVKDONJSA-N 1 0 386.235 2.360 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415779202 532857093 /nfs/dbraw/zinc/85/70/93/532857093.db2.gz ANCLEYCKZUCWEL-MRVPVSSYSA-N 1 0 393.079 2.004 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415794410 532857843 /nfs/dbraw/zinc/85/78/43/532857843.db2.gz XIKSSEWGPLRLOK-SNVBAGLBSA-N 1 0 384.267 2.361 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc(C)c1Br ZINC000415795246 532857938 /nfs/dbraw/zinc/85/79/38/532857938.db2.gz WRCXRWUFVBQBCT-JTQLQIEISA-N 1 0 378.217 2.103 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)C1 ZINC000332591424 532857602 /nfs/dbraw/zinc/85/76/02/532857602.db2.gz KOCVIRJPKPXYFE-NEPJUHHUSA-N 1 0 384.307 2.464 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415801666 532857634 /nfs/dbraw/zinc/85/76/34/532857634.db2.gz FLOZZXIRSRAVQV-ZYHUDNBSSA-N 1 0 384.274 2.030 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1cccs1 ZINC000289539306 532858049 /nfs/dbraw/zinc/85/80/49/532858049.db2.gz PEHWBWSLTSOBTQ-CYBMUJFWSA-N 1 0 395.424 2.397 20 0 GEADRO COC(=O)CC1([NH2+]Cc2cn3ccc(Br)cc3n2)CCOCC1 ZINC000289530406 532858106 /nfs/dbraw/zinc/85/81/06/532858106.db2.gz OMTFFQFJTABIRS-UHFFFAOYSA-N 1 0 382.258 2.299 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415808016 532858353 /nfs/dbraw/zinc/85/83/53/532858353.db2.gz LOPLCORHOWZZBD-QWRGUYRKSA-N 1 0 386.265 2.469 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC[NH2+]1 ZINC000415821079 532858854 /nfs/dbraw/zinc/85/88/54/532858854.db2.gz FHFWDMUVTGGPHH-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415825653 532858929 /nfs/dbraw/zinc/85/89/29/532858929.db2.gz YPLPUKVTPWOOMK-RYUDHWBXSA-N 1 0 398.276 2.375 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1Br ZINC000415824486 532858939 /nfs/dbraw/zinc/85/89/39/532858939.db2.gz VLPCDYJCGIYAGY-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000415826462 532859404 /nfs/dbraw/zinc/85/94/04/532859404.db2.gz ALWALGKWYVKEFC-JTQLQIEISA-N 1 0 382.180 2.092 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415827286 532859453 /nfs/dbraw/zinc/85/94/53/532859453.db2.gz BOJKGPUNEFTMPD-AAEUAGOBSA-N 1 0 398.301 2.418 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C[C@H]1[NH3+] ZINC000415834064 532859259 /nfs/dbraw/zinc/85/92/59/532859259.db2.gz UGSOLUJHMVITNP-QMTHXVAHSA-N 1 0 378.885 2.131 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000415826463 532859276 /nfs/dbraw/zinc/85/92/76/532859276.db2.gz ALWALGKWYVKEFC-SNVBAGLBSA-N 1 0 382.180 2.092 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415839861 532859717 /nfs/dbraw/zinc/85/97/17/532859717.db2.gz FPHHMKJMMDXDOC-GXSJLCMTSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C[C@@]1(C)C[NH3+] ZINC000415840053 532859819 /nfs/dbraw/zinc/85/98/19/532859819.db2.gz LJWPVQFJZCJBMG-ANRSDYALSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C[C@@H]1C[NH3+] ZINC000415837859 532859927 /nfs/dbraw/zinc/85/99/27/532859927.db2.gz CVNJPYRCTWUBFV-ZJUUUORDSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C[C@@H]1C[NH3+] ZINC000415844552 532860092 /nfs/dbraw/zinc/86/00/92/532860092.db2.gz JCGQWCZKOSRBCV-ZJUUUORDSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415842587 532860165 /nfs/dbraw/zinc/86/01/65/532860165.db2.gz XGFUUILLNYCESQ-SCZZXKLOSA-N 1 0 379.766 2.421 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415845727 532860197 /nfs/dbraw/zinc/86/01/97/532860197.db2.gz VAMVZQJSJSIXPG-SNVBAGLBSA-N 1 0 382.180 2.092 20 0 GEADRO O=C(C[NH2+][C@H](CO)C1CCCC1)Nc1ccccc1I ZINC000289611262 532860513 /nfs/dbraw/zinc/86/05/13/532860513.db2.gz SDIQDLCPUGJLMO-CQSZACIVSA-N 1 0 388.249 2.370 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C[C@@H]1C[NH3+] ZINC000415855610 532860751 /nfs/dbraw/zinc/86/07/51/532860751.db2.gz YQGFQKCLUOVVJF-UWVGGRQHSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000332682833 532860373 /nfs/dbraw/zinc/86/03/73/532860373.db2.gz PJYBLICLROWKDP-VNHYZAJKSA-N 1 0 394.313 2.401 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415845299 532860402 /nfs/dbraw/zinc/86/04/02/532860402.db2.gz UQTPLTMDVZBISK-PWSUYJOCSA-N 1 0 391.269 2.179 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415869757 532861019 /nfs/dbraw/zinc/86/10/19/532861019.db2.gz DLWHNCVYAROUOV-UHFFFAOYSA-N 1 0 386.677 2.467 20 0 GEADRO O=C(Nc1cccc2cc(Br)cnc21)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415862630 532861022 /nfs/dbraw/zinc/86/10/22/532861022.db2.gz FSUXNWUWEMQZQX-ZDUSSCGKSA-N 1 0 391.269 2.194 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415857297 532861123 /nfs/dbraw/zinc/86/11/23/532861123.db2.gz HLELWLADHZMRAX-UHFFFAOYSA-N 1 0 391.269 2.194 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415879183 532861519 /nfs/dbraw/zinc/86/15/19/532861519.db2.gz PACDKYBLZVUUNK-YNEHKIRRSA-N 1 0 380.286 2.200 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415878117 532861735 /nfs/dbraw/zinc/86/17/35/532861735.db2.gz LYSWWIVNWBLJHZ-QJPTWQEYSA-N 1 0 398.276 2.339 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415876803 532861747 /nfs/dbraw/zinc/86/17/47/532861747.db2.gz IQEOTSBJBOZGCT-UHFFFAOYSA-N 1 0 396.285 2.212 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000332905369 532862042 /nfs/dbraw/zinc/86/20/42/532862042.db2.gz BNTACYBJTGTGCY-IINYFYTJSA-N 1 0 381.270 2.433 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1nc2ccccc2cc1Br ZINC000289660424 532862051 /nfs/dbraw/zinc/86/20/51/532862051.db2.gz YPCIAXAYSNRQRT-ZDUSSCGKSA-N 1 0 391.313 2.363 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000415886503 532862060 /nfs/dbraw/zinc/86/20/60/532862060.db2.gz LBBCFDJVOHQKGT-UHFFFAOYSA-N 1 0 385.917 2.091 20 0 GEADRO C[N@H+](CC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCSC1 ZINC000332832563 532861843 /nfs/dbraw/zinc/86/18/43/532861843.db2.gz SYSCYPFDCXLUIP-WFASDCNBSA-N 1 0 385.892 2.138 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1nc2ccccc2cc1Br ZINC000289660422 532862116 /nfs/dbraw/zinc/86/21/16/532862116.db2.gz YPCIAXAYSNRQRT-CYBMUJFWSA-N 1 0 391.313 2.363 20 0 GEADRO Cn1c(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)nc2cc(Cl)ccc21 ZINC000275045079 532862273 /nfs/dbraw/zinc/86/22/73/532862273.db2.gz WQDBPJTVZSMXHG-QGZVFWFLSA-N 1 0 381.933 2.463 20 0 GEADRO C[NH2+]Cc1ccc(NC(=O)NCc2nn(C)cc2I)cc1 ZINC000415982855 532862638 /nfs/dbraw/zinc/86/26/38/532862638.db2.gz MAEZRBDJJMYWMK-UHFFFAOYSA-N 1 0 399.236 2.066 20 0 GEADRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCCCn3cc(Br)cn3)cc2C1 ZINC000415957664 532862651 /nfs/dbraw/zinc/86/26/51/532862651.db2.gz KJMNDNMFYALJTD-CYBMUJFWSA-N 1 0 393.289 2.068 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(F)(F)F ZINC000415992164 532862663 /nfs/dbraw/zinc/86/26/63/532862663.db2.gz AUHQALTWAPBXJW-VXGBXAGGSA-N 1 0 378.782 2.024 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N1CCN(Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000416001685 532862733 /nfs/dbraw/zinc/86/27/33/532862733.db2.gz CTDOCRNLSAUNGP-AWEZNQCLSA-N 1 0 378.826 2.447 20 0 GEADRO CCOC(=O)c1sc([C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)nc1C ZINC000416013329 532862820 /nfs/dbraw/zinc/86/28/20/532862820.db2.gz UDHYTTOBGVQIHS-RKDXNWHRSA-N 1 0 382.408 2.268 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC000415995399 532862508 /nfs/dbraw/zinc/86/25/08/532862508.db2.gz MZFLITSQMRDQFO-AWEZNQCLSA-N 1 0 378.826 2.447 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)C(F)(F)F ZINC000416004880 532862569 /nfs/dbraw/zinc/86/25/69/532862569.db2.gz JALAXAMEMFGBMU-PWSUYJOCSA-N 1 0 378.782 2.024 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C(F)(F)F ZINC000415995284 532862594 /nfs/dbraw/zinc/86/25/94/532862594.db2.gz MVITZCUYRPBOFK-JTQLQIEISA-N 1 0 394.195 2.176 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)C(F)(F)F ZINC000416046401 532863349 /nfs/dbraw/zinc/86/33/49/532863349.db2.gz OCZZOOIQIWJFJK-MNOVXSKESA-N 1 0 384.196 2.061 20 0 GEADRO CCOC(=O)c1sc([C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)nc1C ZINC000416013326 532863087 /nfs/dbraw/zinc/86/30/87/532863087.db2.gz UDHYTTOBGVQIHS-DTWKUNHWSA-N 1 0 382.408 2.268 20 0 GEADRO CCN(C[C@H]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1)CC(F)(F)F ZINC000416033695 532863517 /nfs/dbraw/zinc/86/35/17/532863517.db2.gz SFJFWIQTJTWQNC-MNOVXSKESA-N 1 0 378.361 2.182 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N(CCO)Cc1cccc(Br)c1)C(F)(F)F ZINC000416037975 532863578 /nfs/dbraw/zinc/86/35/78/532863578.db2.gz CMDIKKYRJZOFPW-GFCCVEGCSA-N 1 0 398.223 2.233 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000416121368 532864307 /nfs/dbraw/zinc/86/43/07/532864307.db2.gz GMASMFOQJXTPBJ-UHFFFAOYSA-N 1 0 391.331 2.069 20 0 GEADRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)nnn1-c1cccc(Br)c1 ZINC000289853137 532866428 /nfs/dbraw/zinc/86/64/28/532866428.db2.gz CHLFYKOSHWXTKS-STQMWFEESA-N 1 0 390.285 2.020 20 0 GEADRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)nnn1-c1cccc(Br)c1 ZINC000289853132 532866655 /nfs/dbraw/zinc/86/66/55/532866655.db2.gz CHLFYKOSHWXTKS-QWHCGFSZSA-N 1 0 390.285 2.020 20 0 GEADRO O=C(COc1ccccc1Br)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333281251 532866715 /nfs/dbraw/zinc/86/67/15/532866715.db2.gz MMYQKFFUBOEBIP-HIFRSBDPSA-N 1 0 395.297 2.055 20 0 GEADRO COC[C@]1(C[NH2+]Cc2c(Br)cnn2C)OCCc2ccccc21 ZINC000289870266 532866761 /nfs/dbraw/zinc/86/67/61/532866761.db2.gz OYLMHGXLQYXITB-KRWDZBQOSA-N 1 0 380.286 2.387 20 0 GEADRO O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333309809 532867188 /nfs/dbraw/zinc/86/71/88/532867188.db2.gz LLGICNZJOALUKO-ZDUSSCGKSA-N 1 0 394.317 2.233 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cn(CC(F)(F)F)nc2C)C[C@@H]1[NH+]1CCCC1 ZINC000275175984 532867255 /nfs/dbraw/zinc/86/72/55/532867255.db2.gz XYGBNHFCQDSFDR-UONOGXRCSA-N 1 0 376.448 2.406 20 0 GEADRO CS[C@H]1CN(C(=O)c2cn(CC(F)(F)F)nc2C)C[C@H]1[NH+]1CCCC1 ZINC000275175983 532867581 /nfs/dbraw/zinc/86/75/81/532867581.db2.gz XYGBNHFCQDSFDR-KGLIPLIRSA-N 1 0 376.448 2.406 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000275191794 532868250 /nfs/dbraw/zinc/86/82/50/532868250.db2.gz ZYJKMEKLJLABOW-QGZVFWFLSA-N 1 0 384.307 2.403 20 0 GEADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333401544 532868130 /nfs/dbraw/zinc/86/81/30/532868130.db2.gz YUIJTTPFFWLNET-UWVGGRQHSA-N 1 0 381.864 3.071 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333464442 532868975 /nfs/dbraw/zinc/86/89/75/532868975.db2.gz HFHULGXRTUHJNE-UHFFFAOYSA-N 1 0 380.901 2.474 20 0 GEADRO C[C@@H](O)c1ncc(C[NH2+]CCNC(=O)c2cccc(Br)c2)s1 ZINC000289964722 532868719 /nfs/dbraw/zinc/86/87/19/532868719.db2.gz BLENPMXFAIBDRW-SNVBAGLBSA-N 1 0 384.299 2.479 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000416304954 532870199 /nfs/dbraw/zinc/87/01/99/532870199.db2.gz ZUCJHDUNZFGYTK-RYUDHWBXSA-N 1 0 385.295 2.097 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000333532356 532870268 /nfs/dbraw/zinc/87/02/68/532870268.db2.gz MJWITAACXPMAOL-MEBBXXQBSA-N 1 0 392.258 2.204 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)nc12 ZINC000275240254 532869932 /nfs/dbraw/zinc/86/99/32/532869932.db2.gz KCVCZKFDDYOZDE-CYBMUJFWSA-N 1 0 394.317 2.498 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000416304953 532870587 /nfs/dbraw/zinc/87/05/87/532870587.db2.gz ZUCJHDUNZFGYTK-NWDGAFQWSA-N 1 0 385.295 2.097 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000416305586 532870363 /nfs/dbraw/zinc/87/03/63/532870363.db2.gz XROKKZPBWXSNDP-CQSZACIVSA-N 1 0 380.286 2.012 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333692391 532871823 /nfs/dbraw/zinc/87/18/23/532871823.db2.gz CQHFBJBJAONPTN-IMSIIYSGSA-N 1 0 384.249 2.273 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000333710342 532871868 /nfs/dbraw/zinc/87/18/68/532871868.db2.gz SFIWXHUATKLPJZ-WBVHZDCISA-N 1 0 388.917 2.256 20 0 GEADRO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(Br)c1 ZINC000333725762 532872325 /nfs/dbraw/zinc/87/23/25/532872325.db2.gz IYCOFZMKQSUATK-CQSZACIVSA-N 1 0 394.313 2.184 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)nc12 ZINC000333727557 532872437 /nfs/dbraw/zinc/87/24/37/532872437.db2.gz HGXDMDCPXKDGHJ-CHWSQXEVSA-N 1 0 392.301 2.156 20 0 GEADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)CC1 ZINC000416370058 532872482 /nfs/dbraw/zinc/87/24/82/532872482.db2.gz GQVIGTUZYAMJOZ-UHFFFAOYSA-N 1 0 387.933 2.113 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000416373823 532872947 /nfs/dbraw/zinc/87/29/47/532872947.db2.gz MNNLEQWHKJBCET-UHFFFAOYSA-N 1 0 387.933 2.162 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000290109322 532872862 /nfs/dbraw/zinc/87/28/62/532872862.db2.gz SRDOYYFXVRHDQN-ZDUSSCGKSA-N 1 0 378.274 2.460 20 0 GEADRO O=C(NC1CC[NH2+]CC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000333780624 532873399 /nfs/dbraw/zinc/87/33/99/532873399.db2.gz KTOJYLBZCIGUKF-UHFFFAOYSA-N 1 0 385.295 2.213 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CCC2(CC[NH2+]2)CC1 ZINC000333780969 532873459 /nfs/dbraw/zinc/87/34/59/532873459.db2.gz DSXMZGUCIPUEKV-UHFFFAOYSA-N 1 0 381.270 2.117 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000333777349 532873465 /nfs/dbraw/zinc/87/34/65/532873465.db2.gz DCYFVLDRPHZKAZ-GFCCVEGCSA-N 1 0 385.295 2.213 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCC[NH+]2CCCCCC2)c1 ZINC000416378606 532873475 /nfs/dbraw/zinc/87/34/75/532873475.db2.gz ZWLPZUFBLGLUBB-UHFFFAOYSA-N 1 0 387.933 2.162 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333733622 532873125 /nfs/dbraw/zinc/87/31/25/532873125.db2.gz WNOYUFIFZQGNTP-SECBINFHSA-N 1 0 381.267 2.017 20 0 GEADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416382659 532873862 /nfs/dbraw/zinc/87/38/62/532873862.db2.gz AYNZHRUSNBREJC-UHFFFAOYSA-N 1 0 375.922 2.018 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)n1 ZINC000333853901 532874052 /nfs/dbraw/zinc/87/40/52/532874052.db2.gz XWHGICZOGAWUDC-CQSZACIVSA-N 1 0 384.322 2.102 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000333894879 532874903 /nfs/dbraw/zinc/87/49/03/532874903.db2.gz YXDTYAJIXFZIAA-BBRMVZONSA-N 1 0 388.295 2.455 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000290229440 532875811 /nfs/dbraw/zinc/87/58/11/532875811.db2.gz XSBBCAIWLWEFPY-CQSZACIVSA-N 1 0 390.933 2.266 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@H]1CCCC[NH2+]C1 ZINC000333943361 532875880 /nfs/dbraw/zinc/87/58/80/532875880.db2.gz QWOJGDBGJBHLCI-LBPRGKRZSA-N 1 0 384.274 2.162 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000416407409 532876686 /nfs/dbraw/zinc/87/66/86/532876686.db2.gz KBTKRAFRYGXQFQ-FZMZJTMJSA-N 1 0 387.933 2.111 20 0 GEADRO C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[S@](=O)C1 ZINC000333989820 532876856 /nfs/dbraw/zinc/87/68/56/532876856.db2.gz JEBODKCKXDHDHN-CPJLOUKISA-N 1 0 387.615 2.148 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000290347172 532878380 /nfs/dbraw/zinc/87/83/80/532878380.db2.gz NNSJZIYKIWDKSA-LLVKDONJSA-N 1 0 386.290 2.241 20 0 GEADRO O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N1CCc1ccc(F)c(Br)c1 ZINC000348428858 532878569 /nfs/dbraw/zinc/87/85/69/532878569.db2.gz VELMIAZCCGUMEB-ZDUSSCGKSA-N 1 0 381.205 2.017 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)Cc1nccn1C ZINC000275578579 532879044 /nfs/dbraw/zinc/87/90/44/532879044.db2.gz DGWXBSKGSJIGHN-UHFFFAOYSA-N 1 0 383.221 2.227 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417183894 532879079 /nfs/dbraw/zinc/87/90/79/532879079.db2.gz SCZZGUGLVZKXEJ-CYBMUJFWSA-N 1 0 384.318 2.391 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000290386625 532879440 /nfs/dbraw/zinc/87/94/40/532879440.db2.gz MBOXUUCTAWRKIU-NSHDSACASA-N 1 0 384.830 2.337 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)NCCc2ccc(I)s2)C1 ZINC000417442235 532879792 /nfs/dbraw/zinc/87/97/92/532879792.db2.gz SVEIDNMBPKUJKX-JTQLQIEISA-N 1 0 393.294 2.289 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000417446090 532879825 /nfs/dbraw/zinc/87/98/25/532879825.db2.gz JNRMCJXVTFVFRJ-MFKMUULPSA-N 1 0 386.290 2.264 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1ccc(I)s1 ZINC000417443640 532879839 /nfs/dbraw/zinc/87/98/39/532879839.db2.gz ZCFPZNXASOHWCQ-VHSXEESVSA-N 1 0 393.294 2.274 20 0 GEADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418919872 532881575 /nfs/dbraw/zinc/88/15/75/532881575.db2.gz BDJAJIUGLDZTCP-HOTGVXAUSA-N 1 0 394.313 2.275 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418931318 532881579 /nfs/dbraw/zinc/88/15/79/532881579.db2.gz GVXZXIWOAMQZCY-IAQYHMDHSA-N 1 0 382.302 2.131 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)C[C@@H]21 ZINC000418909529 532881697 /nfs/dbraw/zinc/88/16/97/532881697.db2.gz JIJUFNYVEXXEFK-UHOFOFEASA-N 1 0 381.929 2.134 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C[C@H]1[NH3+] ZINC000418933515 532881704 /nfs/dbraw/zinc/88/17/04/532881704.db2.gz IJDZSQPKSGKSMD-HFBAOOFYSA-N 1 0 394.313 2.212 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000419527999 532882193 /nfs/dbraw/zinc/88/21/93/532882193.db2.gz VOMXBSDUJWMKHR-STQMWFEESA-N 1 0 396.329 2.052 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000275747294 532882476 /nfs/dbraw/zinc/88/24/76/532882476.db2.gz KJGXHXODJJJFKH-OAGGEKHMSA-N 1 0 394.313 2.440 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000275751494 532882481 /nfs/dbraw/zinc/88/24/81/532882481.db2.gz NOKWTDLSYAQGLP-LLVKDONJSA-N 1 0 381.278 2.492 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419871724 532883120 /nfs/dbraw/zinc/88/31/20/532883120.db2.gz XTQGPZICNHVESB-XJKSGUPXSA-N 1 0 394.313 2.228 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419869914 532883218 /nfs/dbraw/zinc/88/32/18/532883218.db2.gz KCILTZKCOSCIHU-CABCVRRESA-N 1 0 382.302 2.102 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[NH2+]2)ccc1Br ZINC000419883029 532883337 /nfs/dbraw/zinc/88/33/37/532883337.db2.gz CYZUDRDLNCJBLH-GDBMZVCRSA-N 1 0 394.313 2.289 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000419883357 532883357 /nfs/dbraw/zinc/88/33/57/532883357.db2.gz DCWVCSNHZBQPQW-CQSZACIVSA-N 1 0 381.929 2.291 20 0 GEADRO C[N@H+](CC(=O)Nc1ccc(I)cc1)[C@H]1CC[C@H](O)CC1 ZINC000275802817 532883491 /nfs/dbraw/zinc/88/34/91/532883491.db2.gz FGRYHKBYWFOAKJ-HDJSIYSDSA-N 1 0 388.249 2.465 20 0 GEADRO CCOc1ccc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1Br ZINC000420455735 532883641 /nfs/dbraw/zinc/88/36/41/532883641.db2.gz XSHNRAYDBSGCTA-UHFFFAOYSA-N 1 0 377.304 2.268 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420455280 532883651 /nfs/dbraw/zinc/88/36/51/532883651.db2.gz FCBXYHZUDPRCEP-IIYDPXPESA-N 1 0 390.933 2.359 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1I ZINC000420454379 532883768 /nfs/dbraw/zinc/88/37/68/532883768.db2.gz LGAUHGATLHLRIQ-GHMZBOCLSA-N 1 0 394.278 2.005 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000290408214 532880064 /nfs/dbraw/zinc/88/00/64/532880064.db2.gz NROCKLLBGDHQHH-GFCCVEGCSA-N 1 0 385.306 2.328 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418417971 532880848 /nfs/dbraw/zinc/88/08/48/532880848.db2.gz XCEYIQIMCKVHNR-DOMZBBRYSA-N 1 0 390.297 2.022 20 0 GEADRO CCC[NH2+]CCNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000418464148 532881324 /nfs/dbraw/zinc/88/13/24/532881324.db2.gz AMVBKFBAJSUQAB-UHFFFAOYSA-N 1 0 387.311 2.460 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC1 ZINC000275913336 532885543 /nfs/dbraw/zinc/88/55/43/532885543.db2.gz VUUJKGCUXKOPEE-UHFFFAOYSA-N 1 0 375.803 2.480 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(Br)n1 ZINC000275859921 532884741 /nfs/dbraw/zinc/88/47/41/532884741.db2.gz MAWQPYWOBZTDSE-GFCCVEGCSA-N 1 0 397.317 2.280 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccc(Br)nc1 ZINC000290629056 532885081 /nfs/dbraw/zinc/88/50/81/532885081.db2.gz LORAGXUIRYGHTN-UHFFFAOYSA-N 1 0 393.285 2.500 20 0 GEADRO COc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(OC)c1Br ZINC000360280889 532889613 /nfs/dbraw/zinc/88/96/13/532889613.db2.gz YETCXOUMFTZYQK-STQMWFEESA-N 1 0 399.285 2.059 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]2N2CCOCC2)cc1Cl ZINC000360231819 532889953 /nfs/dbraw/zinc/88/99/53/532889953.db2.gz ZGLFEQOCMNMITI-CZUORRHYSA-N 1 0 388.917 2.128 20 0 GEADRO O=C(Nc1cccc(Br)n1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000276054871 532888165 /nfs/dbraw/zinc/88/81/65/532888165.db2.gz HVDJFKBFOBUTMN-STQMWFEESA-N 1 0 383.290 2.343 20 0 GEADRO O=C(Nc1cccc(Br)n1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000276054865 532888340 /nfs/dbraw/zinc/88/83/40/532888340.db2.gz HVDJFKBFOBUTMN-QWHCGFSZSA-N 1 0 383.290 2.343 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000290752105 532888656 /nfs/dbraw/zinc/88/86/56/532888656.db2.gz YPRLPGZYNMQNPJ-UHFFFAOYSA-N 1 0 383.587 2.379 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1Br ZINC000276070563 532888786 /nfs/dbraw/zinc/88/87/86/532888786.db2.gz LNCDQNSJTBPMMD-NSHDSACASA-N 1 0 396.285 2.163 20 0 GEADRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H](O)C(F)(F)F ZINC000360040552 532888946 /nfs/dbraw/zinc/88/89/46/532888946.db2.gz NOQYOSPFLOWLSH-DGCLKSJQSA-N 1 0 386.461 2.193 20 0 GEADRO COC(=O)c1cn([C@@H]2CCN(Cc3cc(F)cc(Br)c3)C2)nn1 ZINC000359974851 532888983 /nfs/dbraw/zinc/88/89/83/532888983.db2.gz PLKLDUGMAQADIX-CYBMUJFWSA-N 1 0 383.221 2.413 20 0 GEADRO COC[C@@H](O)CC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000360056853 532889032 /nfs/dbraw/zinc/88/90/32/532889032.db2.gz JAWAGXXORQABNZ-GXTWGEPZSA-N 1 0 391.249 2.492 20 0 GEADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000276205154 532890834 /nfs/dbraw/zinc/89/08/34/532890834.db2.gz JXKRMLITVNVIDU-GDBMZVCRSA-N 1 0 385.555 2.235 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc3c(c2)SCC(=O)N3)C[C@@H]1[NH+]1CCCC1 ZINC000290853238 532891269 /nfs/dbraw/zinc/89/12/69/532891269.db2.gz ZEPKRAVKEKPWQC-GOEBONIOSA-N 1 0 377.535 2.383 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000360930843 532891834 /nfs/dbraw/zinc/89/18/34/532891834.db2.gz YUOASYGOJGEXGY-INIZCTEOSA-N 1 0 394.313 2.312 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000423070566 532892622 /nfs/dbraw/zinc/89/26/22/532892622.db2.gz GFMFSOKMLPIJJW-UHFFFAOYSA-N 1 0 394.313 2.151 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)Nc3cccc(Br)n3)CC2)CC1 ZINC000276178542 532890337 /nfs/dbraw/zinc/89/03/37/532890337.db2.gz KNDBZDHVUASNDC-UHFFFAOYSA-N 1 0 396.333 2.335 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000423041736 532893082 /nfs/dbraw/zinc/89/30/82/532893082.db2.gz JOHLOQZEQKIQJN-WBMJQRKESA-N 1 0 375.519 2.091 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N(Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000423077239 532893326 /nfs/dbraw/zinc/89/33/26/532893326.db2.gz LTHACTYTPJPSBX-ZDUSSCGKSA-N 1 0 398.276 2.029 20 0 GEADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423086882 532893529 /nfs/dbraw/zinc/89/35/29/532893529.db2.gz MVGRGPFKGZCUJX-CVEARBPZSA-N 1 0 393.285 2.018 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC[C@@H]1[NH3+] ZINC000423079348 532893537 /nfs/dbraw/zinc/89/35/37/532893537.db2.gz QOFSUTXUYCLKLH-WBMJQRKESA-N 1 0 394.313 2.136 20 0 GEADRO Cn1nccc1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000276341918 532893695 /nfs/dbraw/zinc/89/36/95/532893695.db2.gz UCEZZSOYAVYWHM-CYBMUJFWSA-N 1 0 392.301 2.471 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(Cc2ccc(Br)cc2)C(C)C)C1 ZINC000423098799 532894081 /nfs/dbraw/zinc/89/40/81/532894081.db2.gz LMQNPKFJRLSFCE-OAHLLOKOSA-N 1 0 396.329 2.254 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000423098031 532894337 /nfs/dbraw/zinc/89/43/37/532894337.db2.gz JSOPFFXTZZISFR-CJNGLKHVSA-N 1 0 396.329 2.382 20 0 GEADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424021669 532894546 /nfs/dbraw/zinc/89/45/46/532894546.db2.gz NXSKRMBQNOKJDC-WBVHZDCISA-N 1 0 399.329 2.221 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C[C@H]1C[NH3+] ZINC000424028614 532894554 /nfs/dbraw/zinc/89/45/54/532894554.db2.gz YUNHVCUUEWYSAF-MGPQQGTHSA-N 1 0 394.313 2.245 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C[C@@H]1C[NH3+] ZINC000424028612 532894774 /nfs/dbraw/zinc/89/47/74/532894774.db2.gz YUNHVCUUEWYSAF-HZSPNIEDSA-N 1 0 394.313 2.245 20 0 GEADRO Cc1cc(S(=O)(=O)NCCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)s1 ZINC000422998341 532892923 /nfs/dbraw/zinc/89/29/23/532892923.db2.gz PVXUMJYUPRSRMS-YOEHRIQHSA-N 1 0 381.567 2.191 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@H]1c1ccccc1F ZINC000424043660 532895192 /nfs/dbraw/zinc/89/51/92/532895192.db2.gz ZCOCBCIRPMKWLH-SMDDNHRTSA-N 1 0 380.217 2.256 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CCCCO ZINC000276399331 532895455 /nfs/dbraw/zinc/89/54/55/532895455.db2.gz OHROJMMNXOOQFA-LLVKDONJSA-N 1 0 376.238 2.323 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000276405348 532895509 /nfs/dbraw/zinc/89/55/09/532895509.db2.gz RDQPIUCUSNBRLX-UHFFFAOYSA-N 1 0 376.469 2.416 20 0 GEADRO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362395669 532896190 /nfs/dbraw/zinc/89/61/90/532896190.db2.gz KDHMREHGZSBFBE-KRWDZBQOSA-N 1 0 380.945 2.222 20 0 GEADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000276470697 532896293 /nfs/dbraw/zinc/89/62/93/532896293.db2.gz MRDOQUOGSYVHOV-SNVBAGLBSA-N 1 0 380.164 2.188 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000363535718 532899226 /nfs/dbraw/zinc/89/92/26/532899226.db2.gz ULCKMGYZTKDTSD-OIISXLGYSA-N 1 0 390.908 2.492 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)n1 ZINC000363555369 532899292 /nfs/dbraw/zinc/89/92/92/532899292.db2.gz PFTKIRXIZITYOI-LBPRGKRZSA-N 1 0 384.267 3.007 20 0 GEADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C(N)=O)cs3)[C@@H](C)C2)s1 ZINC000363550354 532899318 /nfs/dbraw/zinc/89/93/18/532899318.db2.gz AHSHQGXLAGWHEK-HZMBPMFUSA-N 1 0 378.523 2.252 20 0 GEADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C(N)=O)cs3)[C@H](C)C2)s1 ZINC000363550357 532899428 /nfs/dbraw/zinc/89/94/28/532899428.db2.gz AHSHQGXLAGWHEK-YGRLFVJLSA-N 1 0 378.523 2.252 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cncc(Br)c1 ZINC000276674701 532899535 /nfs/dbraw/zinc/89/95/35/532899535.db2.gz KYUHUJQMOOFPJN-UHFFFAOYSA-N 1 0 376.320 2.341 20 0 GEADRO CCN(CCC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl)S(C)(=O)=O ZINC000291250978 532899013 /nfs/dbraw/zinc/89/90/13/532899013.db2.gz VYSDBCRCBPOMBB-UHFFFAOYSA-N 1 0 394.896 2.286 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cccnc3Br)C2)CC1 ZINC000363942059 532902134 /nfs/dbraw/zinc/90/21/34/532902134.db2.gz SQGHPDSYDXIUAE-AWEZNQCLSA-N 1 0 381.318 2.085 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000291475566 532902241 /nfs/dbraw/zinc/90/22/41/532902241.db2.gz LDHKOPFOTHDGEO-AWEZNQCLSA-N 1 0 397.317 2.328 20 0 GEADRO COC(=O)C1(CS(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000291630003 532905343 /nfs/dbraw/zinc/90/53/43/532905343.db2.gz GFKSOFPCPUIRLJ-AWEZNQCLSA-N 1 0 386.539 2.148 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364262154 532905521 /nfs/dbraw/zinc/90/55/21/532905521.db2.gz AWDZADQNSQKIFX-AWEZNQCLSA-N 1 0 395.345 2.393 20 0 GEADRO C[C@@H](CNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C[NH+]1CCCC1 ZINC000277001152 532905563 /nfs/dbraw/zinc/90/55/63/532905563.db2.gz JYVXANZFGDSPID-ZDUSSCGKSA-N 1 0 387.933 2.275 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000291507467 532902976 /nfs/dbraw/zinc/90/29/76/532902976.db2.gz OGNBSGSRPGKHJY-VHSXEESVSA-N 1 0 378.420 2.337 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000364046048 532902997 /nfs/dbraw/zinc/90/29/97/532902997.db2.gz WQYLFCDOJWTHIB-CYBMUJFWSA-N 1 0 386.539 2.481 20 0 GEADRO O=C(NC[C@@H]1CSCCS1)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000364115955 532903426 /nfs/dbraw/zinc/90/34/26/532903426.db2.gz UVNREAGBPZWQBU-DLBZAZTESA-N 1 0 380.583 2.441 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](CC(C)C)CC2)cnc1Br ZINC000364106364 532903544 /nfs/dbraw/zinc/90/35/44/532903544.db2.gz VMRCGNCHTYDNEO-UHFFFAOYSA-N 1 0 397.317 2.281 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)NC[C@H]1CSCCS1 ZINC000364115958 532903654 /nfs/dbraw/zinc/90/36/54/532903654.db2.gz UVNREAGBPZWQBU-SJORKVTESA-N 1 0 380.583 2.441 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@H]1c1ccc(F)cc1 ZINC000364178837 532904398 /nfs/dbraw/zinc/90/43/98/532904398.db2.gz ARIPRQMGZLQOLG-QWHCGFSZSA-N 1 0 399.207 2.325 20 0 GEADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364213302 532904589 /nfs/dbraw/zinc/90/45/89/532904589.db2.gz HNQJQGVCVBXRTG-IINYFYTJSA-N 1 0 377.388 2.015 20 0 GEADRO NC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)cc1 ZINC000276987514 532904929 /nfs/dbraw/zinc/90/49/29/532904929.db2.gz HPYKLJQKXZLUAH-CQSZACIVSA-N 1 0 377.282 2.489 20 0 GEADRO CSc1ccc(C)c(C(=O)N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000364266256 532905688 /nfs/dbraw/zinc/90/56/88/532905688.db2.gz XCLADUCSMDABMD-OAHLLOKOSA-N 1 0 382.551 2.098 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000364295194 532905798 /nfs/dbraw/zinc/90/57/98/532905798.db2.gz JCPQBCZUCPEGQP-HOCLYGCPSA-N 1 0 379.551 2.019 20 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C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000736203994 599162448 /nfs/dbraw/zinc/16/24/48/599162448.db2.gz PCPQGDYSEWHVLJ-CQSZACIVSA-N 1 0 377.452 2.217 20 0 GEADRO Cc1cc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc(C2CC2)n1 ZINC000737273189 599169121 /nfs/dbraw/zinc/16/91/21/599169121.db2.gz YSSQGESDRJNPFB-UHFFFAOYSA-N 1 0 376.468 2.165 20 0 GEADRO COc1ccc(C2([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)cc1 ZINC000737074528 599176903 /nfs/dbraw/zinc/17/69/03/599176903.db2.gz GZPHYLJUWJEFSH-AWEZNQCLSA-N 1 0 394.483 2.173 20 0 GEADRO CC(C)(C)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735595523 599180356 /nfs/dbraw/zinc/18/03/56/599180356.db2.gz GHLBHORFTJUKNQ-INIZCTEOSA-N 1 0 382.468 2.257 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821180268 599204606 /nfs/dbraw/zinc/20/46/06/599204606.db2.gz AVWQUCLGFWVZJT-VQIMIIECSA-N 1 0 397.527 2.026 20 0 GEADRO CC(C)n1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000735966851 599207455 /nfs/dbraw/zinc/20/74/55/599207455.db2.gz YAWHJVVVPJHLEU-UHFFFAOYSA-N 1 0 380.500 2.352 20 0 GEADRO COc1cc(C[N@@H+]2CCC[C@@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045214 599207878 /nfs/dbraw/zinc/20/78/78/599207878.db2.gz GOJVOAFRCCRDQQ-GOSISDBHSA-N 1 0 395.463 2.411 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736291199 599226050 /nfs/dbraw/zinc/22/60/50/599226050.db2.gz FGURWYMZUXBJOX-YOEHRIQHSA-N 1 0 386.525 2.185 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736292054 599235620 /nfs/dbraw/zinc/23/56/20/599235620.db2.gz HQDMTJQRLJHZFX-OCCSQVGLSA-N 1 0 389.891 2.017 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)CC1 ZINC000736565601 599243209 /nfs/dbraw/zinc/24/32/09/599243209.db2.gz MJJGPCBEWBTFGC-UHFFFAOYSA-N 1 0 397.483 2.411 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821588231 599252239 /nfs/dbraw/zinc/25/22/39/599252239.db2.gz IBLASJUQJUIHLN-UHFFFAOYSA-N 1 0 381.440 2.129 20 0 GEADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823154469 607298392 /nfs/dbraw/zinc/29/83/92/607298392.db2.gz CDGVWLWIAINWPS-UHFFFAOYSA-N 1 0 397.870 2.310 20 0 GEADRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3ccc(-c4nn[nH]n4)s3)cc21 ZINC000821587421 607314915 /nfs/dbraw/zinc/31/49/15/607314915.db2.gz WMNCKHMKDMAFNS-UHFFFAOYSA-N 1 0 385.453 2.010 20 0 GEADRO CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000735941006 599288167 /nfs/dbraw/zinc/28/81/67/599288167.db2.gz UZPCZAFWLITUFT-MRXNPFEDSA-N 1 0 382.472 2.079 20 0 GEADRO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000737639725 598256895 /nfs/dbraw/zinc/25/68/95/598256895.db2.gz FMKOCEFGUYJGLS-UHFFFAOYSA-N 1 0 388.369 2.097 20 0 GEADRO C[N@H+](CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C1CCCC1 ZINC000736800704 598272910 /nfs/dbraw/zinc/27/29/10/598272910.db2.gz NZJBIHMXKBNDPT-UHFFFAOYSA-N 1 0 383.500 2.415 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000736530539 598287700 /nfs/dbraw/zinc/28/77/00/598287700.db2.gz JQIKFKWXKYUOSY-UHFFFAOYSA-N 1 0 385.472 2.411 20 0 GEADRO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CCN1 ZINC000738299791 598293835 /nfs/dbraw/zinc/29/38/35/598293835.db2.gz BVZJTIDYERLOIS-SFHVURJKSA-N 1 0 387.447 2.183 20 0 GEADRO C[C@H]1CCC[C@H]([N@H+](C)CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736254571 598334351 /nfs/dbraw/zinc/33/43/51/598334351.db2.gz ZIRDGTSDGTWWBX-YOEHRIQHSA-N 1 0 397.483 2.099 20 0 GEADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000736818898 598349979 /nfs/dbraw/zinc/34/99/79/598349979.db2.gz ZGJZOPANJDZCBS-KRWDZBQOSA-N 1 0 384.509 2.434 20 0 GEADRO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736284687 598365782 /nfs/dbraw/zinc/36/57/82/598365782.db2.gz CVZVYVPIHHVEDH-YWZLYKJASA-N 1 0 396.470 2.246 20 0 GEADRO CCc1nccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736705070 598367410 /nfs/dbraw/zinc/36/74/10/598367410.db2.gz FAOZTOBYPWDLSQ-OAHLLOKOSA-N 1 0 394.483 2.291 20 0 GEADRO O=C(C[N@@H+]1CCC[C@H](Cc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737878100 598373042 /nfs/dbraw/zinc/37/30/42/598373042.db2.gz YNBNWDWBYFGAQB-LJQANCHMSA-N 1 0 390.491 2.438 20 0 GEADRO COc1ccnc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737155294 598403440 /nfs/dbraw/zinc/40/34/40/598403440.db2.gz HBVOVSHDMVAVAL-UHFFFAOYSA-N 1 0 393.451 2.121 20 0 GEADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737372044 598441420 /nfs/dbraw/zinc/44/14/20/598441420.db2.gz VFBGTNARHQVULZ-YJBOKZPZSA-N 1 0 375.436 2.018 20 0 GEADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737343148 598451291 /nfs/dbraw/zinc/45/12/91/598451291.db2.gz WAKQDCUCELUUJS-UHFFFAOYSA-N 1 0 395.492 2.371 20 0 GEADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)c(C)o1 ZINC000737235687 598462697 /nfs/dbraw/zinc/46/26/97/598462697.db2.gz YDGBSJYCROUBRN-UHFFFAOYSA-N 1 0 380.452 2.471 20 0 GEADRO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738411287 598466303 /nfs/dbraw/zinc/46/63/03/598466303.db2.gz UEOMOODECJGXMF-UHFFFAOYSA-N 1 0 389.419 2.318 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736250755 598469509 /nfs/dbraw/zinc/46/95/09/598469509.db2.gz MDPDIACUAMBCOL-RYUDHWBXSA-N 1 0 398.920 2.061 20 0 GEADRO CN(CC[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1 ZINC000736793214 598469535 /nfs/dbraw/zinc/46/95/35/598469535.db2.gz UIUPJAKPFFUHCP-UHFFFAOYSA-N 1 0 385.497 2.325 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000736479831 598476215 /nfs/dbraw/zinc/47/62/15/598476215.db2.gz IZVIZDFPJKDSAN-MRXNPFEDSA-N 1 0 383.500 2.273 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2C)CC1 ZINC000736963132 598483514 /nfs/dbraw/zinc/48/35/14/598483514.db2.gz SJQILUQGNOMFON-UHFFFAOYSA-N 1 0 387.488 2.186 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000737742769 598502661 /nfs/dbraw/zinc/50/26/61/598502661.db2.gz GVGKACSPFWWPTA-SFHVURJKSA-N 1 0 391.479 2.176 20 0 GEADRO CCCO[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736489616 598507397 /nfs/dbraw/zinc/50/73/97/598507397.db2.gz XRUHRWGQTRSWFF-ZWKOTPCHSA-N 1 0 384.484 2.253 20 0 GEADRO CCN(CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736514201 598508790 /nfs/dbraw/zinc/50/87/90/598508790.db2.gz VWPIETISPVDDEC-UHFFFAOYSA-N 1 0 399.524 2.450 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000735736186 598518990 /nfs/dbraw/zinc/51/89/90/598518990.db2.gz WQPAVBMKWDTSSI-GOSISDBHSA-N 1 0 386.500 2.213 20 0 GEADRO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CCS2 ZINC000737668547 598520650 /nfs/dbraw/zinc/52/06/50/598520650.db2.gz VXATXRPDOLKJNW-YGRLFVJLSA-N 1 0 386.460 2.071 20 0 GEADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000735708157 598556838 /nfs/dbraw/zinc/55/68/38/598556838.db2.gz KMQUQKLSBYEDHO-KRWDZBQOSA-N 1 0 398.467 2.355 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736532806 598558618 /nfs/dbraw/zinc/55/86/18/598558618.db2.gz CZHLTCFYPUFXEZ-SNVBAGLBSA-N 1 0 383.403 2.320 20 0 GEADRO CCNC(=O)[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736573492 598560084 /nfs/dbraw/zinc/56/00/84/598560084.db2.gz IZLSKJYPDYNVEE-AWEZNQCLSA-N 1 0 380.452 2.060 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000736266410 598578399 /nfs/dbraw/zinc/57/83/99/598578399.db2.gz HLGTUSZHCCCSRM-JTDSTZFVSA-N 1 0 397.527 2.215 20 0 GEADRO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736277462 598579736 /nfs/dbraw/zinc/57/97/36/598579736.db2.gz WVGRIWCRKHEZMW-IBGZPJMESA-N 1 0 397.527 2.074 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCCCC1 ZINC000736008205 598595113 /nfs/dbraw/zinc/59/51/13/598595113.db2.gz IWLFWGBDBVTIET-APWZRJJASA-N 1 0 397.527 2.074 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735882487 598595810 /nfs/dbraw/zinc/59/58/10/598595810.db2.gz RMSIZLRICPBUJG-QFBILLFUSA-N 1 0 397.527 2.072 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1cccs1 ZINC000736760129 598624763 /nfs/dbraw/zinc/62/47/63/598624763.db2.gz PLJSHGNNDRZKPI-CYBMUJFWSA-N 1 0 375.433 2.492 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000737833456 598654113 /nfs/dbraw/zinc/65/41/13/598654113.db2.gz SFGQYOABWLLMTJ-ROUUACIJSA-N 1 0 384.484 2.159 20 0 GEADRO C[C@H](CNC(=O)CCc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736014125 598666392 /nfs/dbraw/zinc/66/63/92/598666392.db2.gz LAXBKFDBMIQKMZ-MRXNPFEDSA-N 1 0 378.480 2.436 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000736769910 598670699 /nfs/dbraw/zinc/67/06/99/598670699.db2.gz WSUQCNYTONZXFX-UHFFFAOYSA-N 1 0 399.886 2.424 20 0 GEADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000738048031 598672948 /nfs/dbraw/zinc/67/29/48/598672948.db2.gz CMIASLLAKCRPPW-QGZVFWFLSA-N 1 0 376.464 2.161 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000738066522 598682947 /nfs/dbraw/zinc/68/29/47/598682947.db2.gz PIJKLOMCECOOLO-UHFFFAOYSA-N 1 0 393.451 2.270 20 0 GEADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000735635999 598683153 /nfs/dbraw/zinc/68/31/53/598683153.db2.gz MBXHLMNNAUPWMU-GFCCVEGCSA-N 1 0 376.436 2.352 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000737833636 598685781 /nfs/dbraw/zinc/68/57/81/598685781.db2.gz ZBLACTRMHXTEBK-IAGOWNOFSA-N 1 0 384.484 2.159 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000737833126 598687127 /nfs/dbraw/zinc/68/71/27/598687127.db2.gz PFMSYEKQTUUWEJ-KRWDZBQOSA-N 1 0 384.484 2.113 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735882842 598688063 /nfs/dbraw/zinc/68/80/63/598688063.db2.gz UKQAJJYSMKGVNY-UHFFFAOYSA-N 1 0 386.500 2.359 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736481566 598688719 /nfs/dbraw/zinc/68/87/19/598688719.db2.gz XSRCFGVIXURZOG-UHFFFAOYSA-N 1 0 395.467 2.468 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000736171258 598698344 /nfs/dbraw/zinc/69/83/44/598698344.db2.gz UYCOJJDEEUQRMY-KSSFIOAISA-N 1 0 380.452 2.053 20 0 GEADRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736020608 598704586 /nfs/dbraw/zinc/70/45/86/598704586.db2.gz RASKMPJIUIGAHM-AWEZNQCLSA-N 1 0 390.488 2.481 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000737194116 598707982 /nfs/dbraw/zinc/70/79/82/598707982.db2.gz BURZPVIESKGOOX-QGZVFWFLSA-N 1 0 378.480 2.452 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CCN(C2CC2)C1 ZINC000736793118 598708178 /nfs/dbraw/zinc/70/81/78/598708178.db2.gz RZSLBLQEQMOHMB-AWEZNQCLSA-N 1 0 389.891 2.017 20 0 GEADRO CCCCCC[N@H+](C)CC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736446438 598718222 /nfs/dbraw/zinc/71/82/22/598718222.db2.gz BKUHADIGYDPIJL-UHFFFAOYSA-N 1 0 399.543 2.418 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000735888165 598730116 /nfs/dbraw/zinc/73/01/16/598730116.db2.gz IBFQZIJOHQQEMN-LBPRGKRZSA-N 1 0 395.414 2.462 20 0 GEADRO CC[N@H+](CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)C1CC1 ZINC000736537532 598730851 /nfs/dbraw/zinc/73/08/51/598730851.db2.gz WDGPSDLMSGDJGX-UHFFFAOYSA-N 1 0 381.387 2.074 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736568343 598732594 /nfs/dbraw/zinc/73/25/94/598732594.db2.gz AKTJOBUEGNDFPB-SFHVURJKSA-N 1 0 383.500 2.415 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736322819 598782162 /nfs/dbraw/zinc/78/21/62/598782162.db2.gz PMJZNSHIKONLMR-JTQLQIEISA-N 1 0 383.403 2.320 20 0 GEADRO C[C@H]1CN(c2cccc(F)c2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736295813 598787078 /nfs/dbraw/zinc/78/70/78/598787078.db2.gz YMGRUZWFGSKMKY-KBXCAEBGSA-N 1 0 382.443 2.250 20 0 GEADRO CCOc1ccccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736656477 598805339 /nfs/dbraw/zinc/80/53/39/598805339.db2.gz ZABLXFKJTLADSE-UHFFFAOYSA-N 1 0 394.479 2.469 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[nH]n1 ZINC000736533432 598811999 /nfs/dbraw/zinc/81/19/99/598811999.db2.gz GRZNDXFLWGGSHY-LLVKDONJSA-N 1 0 391.545 2.126 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cnc(C2CC2)s1 ZINC000736767536 598819124 /nfs/dbraw/zinc/81/91/24/598819124.db2.gz QSTVOJQQFACUCE-UHFFFAOYSA-N 1 0 397.508 2.405 20 0 GEADRO CC(C)[C@@H](C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1CCCCC1 ZINC000735692844 598819183 /nfs/dbraw/zinc/81/91/83/598819183.db2.gz UVXQATBNJARKOR-IBGZPJMESA-N 1 0 397.527 2.026 20 0 GEADRO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737865363 598819660 /nfs/dbraw/zinc/81/96/60/598819660.db2.gz UEDLRPHJRJFEMK-UHFFFAOYSA-N 1 0 392.463 2.101 20 0 GEADRO Cc1ccc([C@@H](O)C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1 ZINC000822231091 599304932 /nfs/dbraw/zinc/30/49/32/599304932.db2.gz ZKEVQUBKCJVNOT-SFHVURJKSA-N 1 0 382.443 2.170 20 0 GEADRO Cc1cc(C)cc([C@@H](O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000822196514 599306047 /nfs/dbraw/zinc/30/60/47/599306047.db2.gz MAJQDDYLHPZCIJ-FQEVSTJZSA-N 1 0 378.480 2.339 20 0 GEADRO CCc1nc(CN2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000736704328 599319876 /nfs/dbraw/zinc/31/98/76/599319876.db2.gz MOGSMCUYKIZOJJ-BBRMVZONSA-N 1 0 382.472 2.127 20 0 GEADRO C[C@H](C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1CCCCCC1 ZINC000735517523 599320174 /nfs/dbraw/zinc/32/01/74/599320174.db2.gz BVMIRWGFPJBWTH-QGZVFWFLSA-N 1 0 397.527 2.170 20 0 GEADRO CC[C@@H](C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+](CC)CC ZINC000736314669 599320858 /nfs/dbraw/zinc/32/08/58/599320858.db2.gz SXMPCWHTQPJYJC-KRWDZBQOSA-N 1 0 385.516 2.026 20 0 GEADRO CC(C)[C@@H](CNc1ccc(Br)cc1-c1nn[nH]n1)[NH+]1CCOCC1 ZINC000735710518 599360904 /nfs/dbraw/zinc/36/09/04/599360904.db2.gz UUZLUCNNVOSBMS-OAHLLOKOSA-N 1 0 395.305 2.398 20 0 GEADRO CC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736537580 599363863 /nfs/dbraw/zinc/36/38/63/599363863.db2.gz NDSDZWMURHRIHQ-CQSZACIVSA-N 1 0 397.483 2.114 20 0 GEADRO C[C@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412184 599375010 /nfs/dbraw/zinc/37/50/10/599375010.db2.gz KSFZFZUTOKHUQD-LAUBAEHRSA-N 1 0 392.507 2.461 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000820410027 599389392 /nfs/dbraw/zinc/38/93/92/599389392.db2.gz CBPBKMJDNUTGOY-CHWSQXEVSA-N 1 0 394.435 2.316 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820413530 599389564 /nfs/dbraw/zinc/38/95/64/599389564.db2.gz RNHTZYLBYNDPAI-OLZOCXBDSA-N 1 0 379.424 2.254 20 0 GEADRO CCC(CC)[C@@H](C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)N1CCOCC1 ZINC000820893756 599400319 /nfs/dbraw/zinc/40/03/19/599400319.db2.gz UWYJUNBDOOWBLU-GOSISDBHSA-N 1 0 388.516 2.102 20 0 GEADRO Cc1cccc(N2CC[NH+](CCCNc3cccc(-c4nn[nH]n4)n3)CC2)c1 ZINC000737398239 599407000 /nfs/dbraw/zinc/40/70/00/599407000.db2.gz FZUWFTVCWNTVGO-UHFFFAOYSA-N 1 0 378.484 2.194 20 0 GEADRO COc1cc(OC)c(CC[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c(OC)c1 ZINC000821723885 599432608 /nfs/dbraw/zinc/43/26/08/599432608.db2.gz LNGLNMYFKOYXHM-UHFFFAOYSA-N 1 0 399.451 2.233 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000736860233 599433966 /nfs/dbraw/zinc/43/39/66/599433966.db2.gz MRZTUMYGVMCXPZ-MRXNPFEDSA-N 1 0 392.511 2.021 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000821809770 599442167 /nfs/dbraw/zinc/44/21/67/599442167.db2.gz RTVNAOFFKYGLRK-BEFAXECRSA-N 1 0 393.495 2.271 20 0 GEADRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)cc1-c1nn[nH]n1 ZINC000821810111 599442216 /nfs/dbraw/zinc/44/22/16/599442216.db2.gz WXUFCQHHOCSIAP-SFHVURJKSA-N 1 0 383.452 2.486 20 0 GEADRO c1ccc2c(c1)nc(NC1CC[NH+](C[C@H]3CCOC3)CC1)cc2-c1nn[nH]n1 ZINC000738433351 599442848 /nfs/dbraw/zinc/44/28/48/599442848.db2.gz QNGVMDYBWCKRIQ-CQSZACIVSA-N 1 0 379.468 2.328 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736238738 599478288 /nfs/dbraw/zinc/47/82/88/599478288.db2.gz ZVVXCAAAYSSCPF-RDTXWAMCSA-N 1 0 394.454 2.500 20 0 GEADRO Cc1ccc([C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N2CCCC2)o1 ZINC000737320077 599488782 /nfs/dbraw/zinc/48/87/82/599488782.db2.gz MSCVYIMKIJRFNF-QGZVFWFLSA-N 1 0 392.467 2.343 20 0 GEADRO Fc1ccc2c(CC[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)c[nH]c2c1 ZINC000737656033 599488995 /nfs/dbraw/zinc/48/89/95/599488995.db2.gz GLJHTYAVHKDEDT-UHFFFAOYSA-N 1 0 376.399 2.467 20 0 GEADRO CC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC[N@@H+]1CCOC ZINC000820994691 599534460 /nfs/dbraw/zinc/53/44/60/599534460.db2.gz KGSCNXQGGAVBDF-HNNXBMFYSA-N 1 0 381.484 2.270 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820323693 599536619 /nfs/dbraw/zinc/53/66/19/599536619.db2.gz YTCSACNTONPKSM-HNAYVOBHSA-N 1 0 391.479 2.351 20 0 GEADRO C[NH+](C)Cc1ccc(N2CCN(c3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)nc1 ZINC000821588371 599537078 /nfs/dbraw/zinc/53/70/78/599537078.db2.gz OXXBWZKOHUSTRS-UHFFFAOYSA-N 1 0 398.902 2.303 20 0 GEADRO COC[C@@H](C)[NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736967969 599575673 /nfs/dbraw/zinc/57/56/73/599575673.db2.gz CVNFCZQPVTTYSB-GHMZBOCLSA-N 1 0 378.502 2.149 20 0 GEADRO CC[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736403809 599581140 /nfs/dbraw/zinc/58/11/40/599581140.db2.gz XGXWGSGEJLWBON-XOBRGWDASA-N 1 0 397.483 2.103 20 0 GEADRO O=C(CC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843922 599586430 /nfs/dbraw/zinc/58/64/30/599586430.db2.gz OXVFCBGHRCJJKR-CQSZACIVSA-N 1 0 398.389 2.239 20 0 GEADRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736612849 599586472 /nfs/dbraw/zinc/58/64/72/599586472.db2.gz QWVDDAKGPRLASN-ZDUSSCGKSA-N 1 0 378.864 2.350 20 0 GEADRO C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736302932 599591219 /nfs/dbraw/zinc/59/12/19/599591219.db2.gz IPZNXNGVMRBJJL-SUMWQHHRSA-N 1 0 383.427 2.365 20 0 GEADRO C[C@H]1CSCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736291492 599591763 /nfs/dbraw/zinc/59/17/63/599591763.db2.gz AZYCTMALDOLJJZ-JTQLQIEISA-N 1 0 378.527 2.183 20 0 GEADRO CN1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCC1=O ZINC000736847832 599599928 /nfs/dbraw/zinc/59/99/28/599599928.db2.gz WXGALXFMAIOYFR-SFHVURJKSA-N 1 0 392.463 2.156 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738099436 599613603 /nfs/dbraw/zinc/61/36/03/599613603.db2.gz FBXQCPONLNUNQN-MRXNPFEDSA-N 1 0 387.463 2.166 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820717823 599628001 /nfs/dbraw/zinc/62/80/01/599628001.db2.gz XEQCFVQZMAZAHE-CQSZACIVSA-N 1 0 396.451 2.253 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C[C@@H]1C ZINC000821254359 599639105 /nfs/dbraw/zinc/63/91/05/599639105.db2.gz LLXCFYIWBVSBSQ-BBRMVZONSA-N 1 0 382.472 2.221 20 0 GEADRO Cc1oc(NC(=O)[C@H](C)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(-c2nn[nH]n2)c1C ZINC000822542213 599641600 /nfs/dbraw/zinc/64/16/00/599641600.db2.gz VKZHRIOLOPDDCM-ZFWWWQNUSA-N 1 0 389.504 2.210 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H](CCO)c1ccccc1 ZINC000821598176 599642722 /nfs/dbraw/zinc/64/27/22/599642722.db2.gz TWCJQGQAMNNTDL-SFHVURJKSA-N 1 0 380.452 2.251 20 0 GEADRO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)sc1C ZINC000822422861 599645543 /nfs/dbraw/zinc/64/55/43/599645543.db2.gz DVNLICBSBNRZON-CQSZACIVSA-N 1 0 388.497 2.205 20 0 GEADRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)Oc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000820518560 599654976 /nfs/dbraw/zinc/65/49/76/599654976.db2.gz GQPDYLFQFBQXLK-OIISXLGYSA-N 1 0 384.484 2.108 20 0 GEADRO CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000737086234 599761123 /nfs/dbraw/zinc/76/11/23/599761123.db2.gz IANJFLKXZPWYJF-MRXNPFEDSA-N 1 0 375.513 2.443 20 0 GEADRO O=C([O-])Nc1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000740030243 599934727 /nfs/dbraw/zinc/93/47/27/599934727.db2.gz HIIAULWWQDYRLF-UHFFFAOYSA-N 1 0 383.452 2.114 20 0 GEADRO C[NH+](C)CCNC(=O)C1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000737368195 599937237 /nfs/dbraw/zinc/93/72/37/599937237.db2.gz ZPRGQAHKXPZOFK-UHFFFAOYSA-N 1 0 389.521 2.489 20 0 GEADRO CCC[C@@](C)([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(=O)[O-] ZINC000736965485 600155410 /nfs/dbraw/zinc/15/54/10/600155410.db2.gz UKKPRFZBEHBJDD-LJQANCHMSA-N 1 0 379.526 2.407 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N2CC[NH+](C3CCC3)CC2)cc1-c1nn[nH]n1 ZINC000820164011 607425653 /nfs/dbraw/zinc/42/56/53/607425653.db2.gz AIGFXYPVCNUORX-UHFFFAOYSA-N 1 0 385.472 2.356 20 0 GEADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736210150 600287909 /nfs/dbraw/zinc/28/79/09/600287909.db2.gz WMLMUUDMZMJMLT-YLJYHZDGSA-N 1 0 399.535 2.342 20 0 GEADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C3(C(=O)[O-])CCCCC3)CC2)cc1 ZINC000738596923 600320196 /nfs/dbraw/zinc/32/01/96/600320196.db2.gz FQZYKUMFFHCZQA-UHFFFAOYSA-N 1 0 387.524 2.406 20 0 GEADRO C[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[NH+]1CCC(C)CC1 ZINC000824952893 607453730 /nfs/dbraw/zinc/45/37/30/607453730.db2.gz BVXWFGZMEJZCNS-HNNXBMFYSA-N 1 0 383.500 2.275 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824927697 607455078 /nfs/dbraw/zinc/45/50/78/607455078.db2.gz PVBAIMIWKBQGLR-HUUCEWRRSA-N 1 0 383.500 2.418 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824262313 607459795 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C[C@H](C(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000825994534 601740289 /nfs/dbraw/zinc/74/02/89/601740289.db2.gz ITDIVERCJOMOLS-GCJKJVERSA-N 1 0 387.524 2.487 20 0 GEADRO Cc1cccc(S(=O)(=O)NCCC[N@@H+](C)C2CCCCC2)c1-c1nn[nH]n1 ZINC000826303252 607534729 /nfs/dbraw/zinc/53/47/29/607534729.db2.gz HCYJKKZOIFDVLO-UHFFFAOYSA-N 1 0 392.529 2.108 20 0 GEADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000832979012 602225719 /nfs/dbraw/zinc/22/57/19/602225719.db2.gz JDRKWTBIDFEOMU-LJQANCHMSA-N 1 0 375.513 2.118 20 0 GEADRO CCOC1CC(C[NH2+]Cc2ccc(Br)cn2)(N2CCOCC2)C1 ZINC000444017000 649931644 /nfs/dbraw/zinc/93/16/44/649931644.db2.gz OOUGXVFPSPUMIO-UHFFFAOYSA-N 1 0 384.318 2.204 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000824047303 607556587 /nfs/dbraw/zinc/55/65/87/607556587.db2.gz ZTACGWAZICPZFZ-AGIUHOORSA-N 1 0 390.875 2.206 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 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CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000821266488 606475120 /nfs/dbraw/zinc/47/51/20/606475120.db2.gz DZIKLZVEWNGFIA-MRXNPFEDSA-N 1 0 395.467 2.027 20 0 GEADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000822733311 606487510 /nfs/dbraw/zinc/48/75/10/606487510.db2.gz XHGPFXPKCLKSTJ-CYBMUJFWSA-N 1 0 381.383 2.053 20 0 GEADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000821276770 606495164 /nfs/dbraw/zinc/49/51/64/606495164.db2.gz NGQCOIBIEQLSHK-UHFFFAOYSA-N 1 0 391.479 2.190 20 0 GEADRO CC[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)s1)[N@@H+]1CCc2ccccc2C1 ZINC000820908559 606508328 /nfs/dbraw/zinc/50/83/28/606508328.db2.gz NWCVSFLKGVIACZ-OAHLLOKOSA-N 1 0 382.493 2.495 20 0 GEADRO C[C@@H]([N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C1(C)CC1 ZINC000820308186 606527022 /nfs/dbraw/zinc/52/70/22/606527022.db2.gz UAFYTVHTSHZWTB-CYBMUJFWSA-N 1 0 380.456 2.111 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)[NH+]2CCCC2)o1 ZINC000822230852 606544348 /nfs/dbraw/zinc/54/43/48/606544348.db2.gz SBVFFVLWDMVGAI-QGZVFWFLSA-N 1 0 380.452 2.264 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821614865 606576088 /nfs/dbraw/zinc/57/60/88/606576088.db2.gz XSKGBRRSPDNFSU-IBGZPJMESA-N 1 0 376.464 2.142 20 0 GEADRO C[C@H](CCNC(=O)Cc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000820242204 606580369 /nfs/dbraw/zinc/58/03/69/606580369.db2.gz LTXSQWXQSAYAMV-MRXNPFEDSA-N 1 0 378.480 2.436 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820703675 606594763 /nfs/dbraw/zinc/59/47/63/606594763.db2.gz JNFZPLWOEAXPOC-LLVKDONJSA-N 1 0 395.414 2.341 20 0 GEADRO CN(CC(F)F)C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821595313 606621602 /nfs/dbraw/zinc/62/16/02/606621602.db2.gz SHMPOELRMXNXTD-UHFFFAOYSA-N 1 0 380.443 2.297 20 0 GEADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1sccc1-c1nn[nH]n1 ZINC000823363777 606657539 /nfs/dbraw/zinc/65/75/39/606657539.db2.gz MQSWZLGSQUMKDV-UHFFFAOYSA-N 1 0 384.465 2.137 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000820722733 606670109 /nfs/dbraw/zinc/67/01/09/606670109.db2.gz NDTJXFAGSJTHTK-UHFFFAOYSA-N 1 0 378.427 2.387 20 0 GEADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820758759 606724070 /nfs/dbraw/zinc/72/40/70/606724070.db2.gz COPUSKDCWBEYEV-QWHZDKJVSA-N 1 0 393.495 2.092 20 0 GEADRO COc1cc(CN2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cc(OC)c1 ZINC000821717521 606730004 /nfs/dbraw/zinc/73/00/04/606730004.db2.gz PTBFVNSKXPFBPP-SFHVURJKSA-N 1 0 394.479 2.248 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1-c1nn[nH]n1 ZINC000821803061 606742180 /nfs/dbraw/zinc/74/21/80/606742180.db2.gz AYENPOUDLWZGEY-MRXNPFEDSA-N 1 0 384.484 2.146 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)c2ccccc2O1 ZINC000821584523 606748017 /nfs/dbraw/zinc/74/80/17/606748017.db2.gz HVXKJODWJIEFQK-YUQCYMQKSA-N 1 0 390.447 2.236 20 0 GEADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000820882097 606750312 /nfs/dbraw/zinc/75/03/12/606750312.db2.gz JLHCPHIMHSNXDO-UHFFFAOYSA-N 1 0 385.428 2.128 20 0 GEADRO CN(CCOc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821605015 606796809 /nfs/dbraw/zinc/79/68/09/606796809.db2.gz QRFOVNBJQMXUKK-SFHVURJKSA-N 1 0 378.480 2.452 20 0 GEADRO CC(C)[N@H+]1C[C@H](NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000820752404 606815527 /nfs/dbraw/zinc/81/55/27/606815527.db2.gz MSPXOGZAGNXKFK-YJBOKZPZSA-N 1 0 386.500 2.261 20 0 GEADRO O[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681457 606843652 /nfs/dbraw/zinc/84/36/52/606843652.db2.gz DMJDCBOGVRQNGX-FQEVSTJZSA-N 1 0 378.480 2.154 20 0 GEADRO Cc1cccc(N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000822309132 606844873 /nfs/dbraw/zinc/84/48/73/606844873.db2.gz MTGFUCMADNVVOS-FQEVSTJZSA-N 1 0 378.480 2.339 20 0 GEADRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)ccc1OC(C)C ZINC000821716609 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1 0 385.424 2.456 20 0 GEADRO CCN(CC)C(=O)C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821170860 606890370 /nfs/dbraw/zinc/89/03/70/606890370.db2.gz XKPOELLGSHMHQF-UHFFFAOYSA-N 1 0 386.500 2.216 20 0 GEADRO CC1CC[NH+](C[C@H]2CCCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000820722674 606891217 /nfs/dbraw/zinc/89/12/17/606891217.db2.gz LJJPQOBPVKGCRE-YLJYHZDGSA-N 1 0 384.528 2.344 20 0 GEADRO CCCC(=O)NC[C@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821007723 606891397 /nfs/dbraw/zinc/89/13/97/606891397.db2.gz CVIKNMYFGCSZSM-MRXNPFEDSA-N 1 0 386.500 2.264 20 0 GEADRO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000819898843 606895100 /nfs/dbraw/zinc/89/51/00/606895100.db2.gz JDPULWZZAXIXAO-INIZCTEOSA-N 1 0 386.500 2.262 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822000780 606897892 /nfs/dbraw/zinc/89/78/92/606897892.db2.gz ZSNGGAPXGXYXHC-OXQOHEQNSA-N 1 0 378.480 2.106 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822000781 606898025 /nfs/dbraw/zinc/89/80/25/606898025.db2.gz ZSNGGAPXGXYXHC-UZLBHIALSA-N 1 0 378.480 2.106 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)COc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820658420 606904001 /nfs/dbraw/zinc/90/40/01/606904001.db2.gz SDFJZGRIMLLFOH-CRAIPNDOSA-N 1 0 392.463 2.025 20 0 GEADRO C[C@H]1C[C@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820656497 606904260 /nfs/dbraw/zinc/90/42/60/606904260.db2.gz FUZZTEIXCFREIG-KXBFYZLASA-N 1 0 376.464 2.188 20 0 GEADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820562043 606906415 /nfs/dbraw/zinc/90/64/15/606906415.db2.gz DEGXOZYAVOFLDH-SXBFAZIISA-N 1 0 385.493 2.331 20 0 GEADRO CC[C@@H]1C[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)[C@@H](CC)CN1C(C)=O ZINC000820993941 606907151 /nfs/dbraw/zinc/90/71/51/606907151.db2.gz CGJISJLVSNMYDQ-ZWKOTPCHSA-N 1 0 386.500 2.357 20 0 GEADRO 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O=C(CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822963995 606985555 /nfs/dbraw/zinc/98/55/55/606985555.db2.gz CCEVMUPKJHHSHW-DLBZAZTESA-N 1 0 396.451 2.376 20 0 GEADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000819992243 606991615 /nfs/dbraw/zinc/99/16/15/606991615.db2.gz RZPYPSUVTXWTHQ-UHFFFAOYSA-N 1 0 384.484 2.111 20 0 GEADRO Cc1nc(CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c(C)s1 ZINC000822436762 606998760 /nfs/dbraw/zinc/99/87/60/606998760.db2.gz QMOOXGRLQVYYAY-UHFFFAOYSA-N 1 0 399.524 2.073 20 0 GEADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000823459511 607010428 /nfs/dbraw/zinc/01/04/28/607010428.db2.gz AETKIMDXRQIRRR-LPHOPBHVSA-N 1 0 391.479 2.322 20 0 GEADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC000821182761 607049422 /nfs/dbraw/zinc/04/94/22/607049422.db2.gz YTVBWDSWZOYDNS-QGZVFWFLSA-N 1 0 394.545 2.043 20 0 GEADRO O=C(NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000823154576 607057190 /nfs/dbraw/zinc/05/71/90/607057190.db2.gz GSXWAUYCBSYGCB-UHFFFAOYSA-N 1 0 380.427 2.400 20 0 GEADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821607151 607069986 /nfs/dbraw/zinc/06/99/86/607069986.db2.gz BBHIQSLCVHADJF-CQSZACIVSA-N 1 0 376.436 2.447 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCCCOc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625314 607071874 /nfs/dbraw/zinc/07/18/74/607071874.db2.gz KVUDENUTQXNCJF-HKUYNNGSSA-N 1 0 398.511 2.359 20 0 GEADRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000822496340 607092034 /nfs/dbraw/zinc/09/20/34/607092034.db2.gz JSURANBUADXLNE-CQSZACIVSA-N 1 0 386.485 2.136 20 0 GEADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000821652619 607107126 /nfs/dbraw/zinc/10/71/26/607107126.db2.gz WVHKZISPQULENB-GOSISDBHSA-N 1 0 384.484 2.031 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623861 607172119 /nfs/dbraw/zinc/17/21/19/607172119.db2.gz UQDIIKHRSXALPU-PKOBYXMFSA-N 1 0 378.484 2.104 20 0 GEADRO Cc1cccc2c1ncnc2N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822335912 607173157 /nfs/dbraw/zinc/17/31/57/607173157.db2.gz NQUIKXZHFQDEOB-UHFFFAOYSA-N 1 0 386.463 2.441 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)cc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000822723712 607227718 /nfs/dbraw/zinc/22/77/18/607227718.db2.gz LTUJXQVYDHHTRX-UHFFFAOYSA-N 1 0 396.417 2.434 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000820703583 607232932 /nfs/dbraw/zinc/23/29/32/607232932.db2.gz IBANNVJTRVSBLY-LBPRGKRZSA-N 1 0 377.880 2.300 20 0 GEADRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735633927 607236029 /nfs/dbraw/zinc/23/60/29/607236029.db2.gz UUEIHPREBFURBU-AWEZNQCLSA-N 1 0 383.456 2.218 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000822535586 607251249 /nfs/dbraw/zinc/25/12/49/607251249.db2.gz XJWQBZCBEQBGHC-LSDHHAIUSA-N 1 0 395.467 2.115 20 0 GEADRO O=C(Oc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826468389 607777274 /nfs/dbraw/zinc/77/72/74/607777274.db2.gz OCZDVFSLTCPGAB-UHFFFAOYSA-N 1 0 382.424 2.279 20 0 GEADRO O=S(=O)(CC[NH2+][C@H](c1ccccc1)C1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485364 607815140 /nfs/dbraw/zinc/81/51/40/607815140.db2.gz NRMIMCJGDRMMNX-GOSISDBHSA-N 1 0 383.477 2.381 20 0 GEADRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3cnccc3-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000824984472 607839265 /nfs/dbraw/zinc/83/92/65/607839265.db2.gz KBTVAHPQVRYLBX-GASCZTMLSA-N 1 0 379.468 2.483 20 0 GEADRO CCOCC[N@@H+]1CCN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)C[C@H]1CC ZINC000825599476 607841115 /nfs/dbraw/zinc/84/11/15/607841115.db2.gz MSZVVCNXVRDKQU-QGZVFWFLSA-N 1 0 381.484 2.352 20 0 GEADRO CC[C@H]1CN(c2cc(-c3nn[nH]n3)ccc2C(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000825213460 607841259 /nfs/dbraw/zinc/84/12/59/607841259.db2.gz YNRWJMVGZBUVHV-YPMHNXCESA-N 1 0 384.406 2.167 20 0 GEADRO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824528696 607843521 /nfs/dbraw/zinc/84/35/21/607843521.db2.gz BLEHWAFDONVJGT-GDZNZVCISA-N 1 0 378.436 2.348 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1COc2ccccc21 ZINC000824528697 607843707 /nfs/dbraw/zinc/84/37/07/607843707.db2.gz BLEHWAFDONVJGT-IGCXYCKISA-N 1 0 378.436 2.348 20 0 GEADRO c1cn(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826513818 607849228 /nfs/dbraw/zinc/84/92/28/607849228.db2.gz WTVCXCOSGJBQIP-GOSISDBHSA-N 1 0 379.468 2.436 20 0 GEADRO OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826507273 607858598 /nfs/dbraw/zinc/85/85/98/607858598.db2.gz LRRQRXJXAZBDPD-UXHICEINSA-N 1 0 379.464 2.173 20 0 GEADRO O=C(C[N@@H+]1CC[C@H](C2CCOCC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826410516 607859174 /nfs/dbraw/zinc/85/91/74/607859174.db2.gz PNZIZVYSDVKZQQ-ZDUSSCGKSA-N 1 0 390.875 2.207 20 0 GEADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000824978510 607913387 /nfs/dbraw/zinc/91/33/87/607913387.db2.gz WHOCDPSUKPJRER-KBPBESRZSA-N 1 0 393.451 2.219 20 0 GEADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000825958399 607981061 /nfs/dbraw/zinc/98/10/61/607981061.db2.gz VETJCFSXZFBKAO-OALUTQOASA-N 1 0 391.479 2.454 20 0 GEADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000825972060 607981260 /nfs/dbraw/zinc/98/12/60/607981260.db2.gz UFCZZYMFPHXBIB-OALUTQOASA-N 1 0 391.479 2.454 20 0 GEADRO O=C1CCCN1C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826480864 607986917 /nfs/dbraw/zinc/98/69/17/607986917.db2.gz VFFHDDWZOKVATP-GOSISDBHSA-N 1 0 380.427 2.459 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826077202 608021147 /nfs/dbraw/zinc/02/11/47/608021147.db2.gz DFGLFRZTZASYML-NSHDSACASA-N 1 0 386.435 2.013 20 0 GEADRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc[nH]1 ZINC000824487726 608023950 /nfs/dbraw/zinc/02/39/50/608023950.db2.gz CETPQHGBBGNEBU-OAHLLOKOSA-N 1 0 394.483 2.173 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1scnc1C1CC1 ZINC000825865579 608025798 /nfs/dbraw/zinc/02/57/98/608025798.db2.gz GQAVEPDETTUMSE-UHFFFAOYSA-N 1 0 397.508 2.405 20 0 GEADRO CC(C)C[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824255566 608032417 /nfs/dbraw/zinc/03/24/17/608032417.db2.gz OJGZCZRRSKCPQQ-INIZCTEOSA-N 1 0 377.514 2.150 20 0 GEADRO c1cc(-c2nn[nH]n2)ccc1OCCC[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000826513927 608044718 /nfs/dbraw/zinc/04/47/18/608044718.db2.gz ATOGGDCUCGHXKQ-INIZCTEOSA-N 1 0 387.484 2.153 20 0 GEADRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191956 608065514 /nfs/dbraw/zinc/06/55/14/608065514.db2.gz VPMTYEDYAWEHRB-AUUYWEPGSA-N 1 0 394.479 2.212 20 0 GEADRO C[NH+](C)Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000825870374 608081890 /nfs/dbraw/zinc/08/18/90/608081890.db2.gz JMVZXSCWKDEPBF-LJQANCHMSA-N 1 0 392.463 2.142 20 0 GEADRO CC(C)[C@H](C(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)[NH+]1CCCCC1 ZINC000824185345 608089107 /nfs/dbraw/zinc/08/91/07/608089107.db2.gz WQDXMNIXPAGMAB-RBUKOAKNSA-N 1 0 398.511 2.277 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825870515 608089776 /nfs/dbraw/zinc/08/97/76/608089776.db2.gz PNQAOJDHZMGBPG-INIZCTEOSA-N 1 0 398.492 2.204 20 0 GEADRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1-c1nn[nH]n1 ZINC000826202964 608101047 /nfs/dbraw/zinc/10/10/47/608101047.db2.gz ULLSKORDKXIWSD-HNNXBMFYSA-N 1 0 377.807 2.491 20 0 GEADRO O[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(Cl)c(F)c1 ZINC000826503107 608102302 /nfs/dbraw/zinc/10/23/02/608102302.db2.gz QPCBALDIHQODQA-OAHLLOKOSA-N 1 0 387.806 2.130 20 0 GEADRO CCn1c2ccc(-c3nn[nH]n3)cc2nc1NC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000825458298 608109251 /nfs/dbraw/zinc/10/92/51/608109251.db2.gz BZQVZBKSCBOTLW-ZDUSSCGKSA-N 1 0 399.528 2.007 20 0 GEADRO CC(C)n1cccc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824371391 608119447 /nfs/dbraw/zinc/11/94/47/608119447.db2.gz CZLQCCFXYKMZDX-UHFFFAOYSA-N 1 0 381.484 2.453 20 0 GEADRO Cc1ccc([C@H]2CC[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826286211 608127735 /nfs/dbraw/zinc/12/77/35/608127735.db2.gz VUAVJCBZFNKTCL-IBGZPJMESA-N 1 0 376.464 2.281 20 0 GEADRO Cc1cc(C)cc([C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264108 608128434 /nfs/dbraw/zinc/12/84/34/608128434.db2.gz CCZZDSSUPNKPIL-IEBWSBKVSA-N 1 0 376.464 2.499 20 0 GEADRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824604926 608131985 /nfs/dbraw/zinc/13/19/85/608131985.db2.gz FINAEWGOISKCLZ-VIFPVBQESA-N 1 0 380.225 2.316 20 0 GEADRO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585791 608132258 /nfs/dbraw/zinc/13/22/58/608132258.db2.gz TYKZDDZBTSKMCJ-LBPRGKRZSA-N 1 0 394.410 2.343 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000824103468 608135255 /nfs/dbraw/zinc/13/52/55/608135255.db2.gz BGZSWOFXKRDOQX-LBPRGKRZSA-N 1 0 376.436 2.352 20 0 GEADRO COc1ccc(C[C@@](C)([NH3+])CNc2snc(Cl)c2-c2nn[nH]n2)cc1 ZINC000826191129 608192368 /nfs/dbraw/zinc/19/23/68/608192368.db2.gz XWCJGGHIRCUTNN-OAHLLOKOSA-N 1 0 379.877 2.357 20 0 GEADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000826435726 608266565 /nfs/dbraw/zinc/26/65/65/608266565.db2.gz WHAQEIIMFNYRDZ-UHFFFAOYSA-N 1 0 396.430 2.439 20 0 GEADRO O=C(COc1ccccc1-c1nn[nH]n1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000826419219 608276496 /nfs/dbraw/zinc/27/64/96/608276496.db2.gz OLJAEJMYOJRKGV-UHFFFAOYSA-N 1 0 397.435 2.294 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@@H]1C ZINC000825443733 608281258 /nfs/dbraw/zinc/28/12/58/608281258.db2.gz FBPDUOJYMIFGFS-WDEREUQCSA-N 1 0 395.414 2.415 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@H]1C ZINC000825443727 608281349 /nfs/dbraw/zinc/28/13/49/608281349.db2.gz FBPDUOJYMIFGFS-GHMZBOCLSA-N 1 0 395.414 2.415 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1 ZINC000825595238 608284573 /nfs/dbraw/zinc/28/45/73/608284573.db2.gz WEGFIZKKHYSSCD-RDTXWAMCSA-N 1 0 376.480 2.232 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CCC[N@@H+](C(C)C)CC2)c1-c1nn[nH]n1 ZINC000826332378 608313547 /nfs/dbraw/zinc/31/35/47/608313547.db2.gz SAUJINTYOSCGMM-UHFFFAOYSA-N 1 0 380.500 2.277 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826157831 608313575 /nfs/dbraw/zinc/31/35/75/608313575.db2.gz NQXDLMJMLDGCTP-UHFFFAOYSA-N 1 0 386.500 2.077 20 0 GEADRO CC[NH+]1CCC(N(C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825453187 608314473 /nfs/dbraw/zinc/31/44/73/608314473.db2.gz TVDDULNFWYXOMU-UHFFFAOYSA-N 1 0 380.500 2.277 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407726 608324522 /nfs/dbraw/zinc/32/45/22/608324522.db2.gz YCVJKQDQVRFMJN-KGLIPLIRSA-N 1 0 390.513 2.395 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000824046518 608325521 /nfs/dbraw/zinc/32/55/21/608325521.db2.gz SWXDZMWAXDKIBN-OAGGEKHMSA-N 1 0 384.484 2.332 20 0 GEADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000825233816 608355730 /nfs/dbraw/zinc/35/57/30/608355730.db2.gz SCTIDJPZZUWMMI-YOEHRIQHSA-N 1 0 386.500 2.392 20 0 GEADRO C[N@@H+]1CCCC12CCN(CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)CC2 ZINC000826033568 608381718 /nfs/dbraw/zinc/38/17/18/608381718.db2.gz HEUHHCXTDVJJMH-UHFFFAOYSA-N 1 0 389.891 2.019 20 0 GEADRO O[C@H](C[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503105 608381945 /nfs/dbraw/zinc/38/19/45/608381945.db2.gz QOOSGEUVUHJVQG-UYAOXDASSA-N 1 0 399.882 2.233 20 0 GEADRO Cc1ccc(N2CCC[C@@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3F)C2)nn1 ZINC000826289455 608392219 /nfs/dbraw/zinc/39/22/19/608392219.db2.gz ATSOLSBFIGTHFY-OAHLLOKOSA-N 1 0 382.447 2.205 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C[N@@H+]1C1CC1 ZINC000824893246 608419458 /nfs/dbraw/zinc/41/94/58/608419458.db2.gz PTPCWQQESNABFU-KBXCAEBGSA-N 1 0 393.495 2.291 20 0 GEADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000824586256 608425513 /nfs/dbraw/zinc/42/55/13/608425513.db2.gz XFZPXIYYAAFEOR-ZDUSSCGKSA-N 1 0 394.435 2.317 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000824613894 608428992 /nfs/dbraw/zinc/42/89/92/608428992.db2.gz XTYUKQXQFAUACJ-LLVKDONJSA-N 1 0 375.429 2.260 20 0 GEADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826177956 608446210 /nfs/dbraw/zinc/44/62/10/608446210.db2.gz CPWDUCBAKILVGY-CYBMUJFWSA-N 1 0 396.451 2.482 20 0 GEADRO C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1n1ccnc1 ZINC000824957823 608453231 /nfs/dbraw/zinc/45/32/31/608453231.db2.gz ZQEVVXDIOQIORY-GXTWGEPZSA-N 1 0 386.485 2.036 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCCOc1ccccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562032 608468644 /nfs/dbraw/zinc/46/86/44/608468644.db2.gz BUAMOAWYJMNAFN-AWEZNQCLSA-N 1 0 398.442 2.242 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000824569810 608474504 /nfs/dbraw/zinc/47/45/04/608474504.db2.gz KIPBYVMKXHAYTD-UGSOOPFHSA-N 1 0 394.435 2.208 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000824572483 608475958 /nfs/dbraw/zinc/47/59/58/608475958.db2.gz VWUWMGVXKCFXEB-KUHUBIRLSA-N 1 0 392.463 2.378 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824563753 608483171 /nfs/dbraw/zinc/48/31/71/608483171.db2.gz PUFCEPPCTSICRY-MPGHIAIKSA-N 1 0 386.500 2.229 20 0 GEADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000824280600 608486399 /nfs/dbraw/zinc/48/63/99/608486399.db2.gz PWGGPWZMYSRDDP-NSHDSACASA-N 1 0 386.485 2.206 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)[C@@H](C)C[N@@H+]1C ZINC000446300010 649976843 /nfs/dbraw/zinc/97/68/43/649976843.db2.gz XGDJWWNBQPGJHZ-SUNKGSAMSA-N 1 0 380.286 2.426 20 0 GEADRO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826218767 608490105 /nfs/dbraw/zinc/49/01/05/608490105.db2.gz KMLRFXGCHUVJKD-ZIAGYGMSSA-N 1 0 380.452 2.403 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N1CCC(c2ccccc2)=N1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554761 608490640 /nfs/dbraw/zinc/49/06/40/608490640.db2.gz RZANKLJFBXFBCF-CQSZACIVSA-N 1 0 375.436 2.154 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)n(C(C)(C)C)n1 ZINC000826270042 608491516 /nfs/dbraw/zinc/49/15/16/608491516.db2.gz IOTZONFMJLQBMW-ZDUSSCGKSA-N 1 0 382.472 2.416 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCc2ccccc2C1 ZINC000824529447 608491967 /nfs/dbraw/zinc/49/19/67/608491967.db2.gz GKEHSLZQENSQJC-LSDHHAIUSA-N 1 0 376.464 2.491 20 0 GEADRO c1cc(N2CCOCC2)ncc1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826516897 608499397 /nfs/dbraw/zinc/49/93/97/608499397.db2.gz HCLXHVQADPRQPM-IBGZPJMESA-N 1 0 391.479 2.266 20 0 GEADRO c1cnc(N2CCC[C@@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)nc1 ZINC000826525329 608502801 /nfs/dbraw/zinc/50/28/01/608502801.db2.gz FSDACOBPXIBUAK-AEFFLSMTSA-N 1 0 376.468 2.293 20 0 GEADRO CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc2c(c1)OCO2 ZINC000825435195 608504679 /nfs/dbraw/zinc/50/46/79/608504679.db2.gz PCQTUNSGJXAYHB-UHFFFAOYSA-N 1 0 377.408 2.265 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)COc1ccc(F)cc1 ZINC000826502675 608504680 /nfs/dbraw/zinc/50/46/80/608504680.db2.gz IPJBFYYUJGVVJE-VQIMIIECSA-N 1 0 383.427 2.413 20 0 GEADRO O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826483472 608505767 /nfs/dbraw/zinc/50/57/67/608505767.db2.gz OPOJUJNRABBFLX-GOSISDBHSA-N 1 0 388.431 2.130 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1-n1cccn1 ZINC000824569381 608517519 /nfs/dbraw/zinc/51/75/19/608517519.db2.gz HJJBICHZJZRJMX-LIRRHRJNSA-N 1 0 375.436 2.437 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826221927 608521247 /nfs/dbraw/zinc/52/12/47/608521247.db2.gz ATLDITUEEPXRKQ-UXLLHSPISA-N 1 0 375.498 2.190 20 0 GEADRO O=C(CC[NH2+][C@H](CCCO)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407695 608537008 /nfs/dbraw/zinc/53/70/08/608537008.db2.gz XELDEQTYYWHZGZ-GOSISDBHSA-N 1 0 380.452 2.299 20 0 GEADRO COc1cccc(F)c1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826217097 608538677 /nfs/dbraw/zinc/53/86/77/608538677.db2.gz YVDKGLMBEGWVMO-GXTWGEPZSA-N 1 0 387.415 2.105 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(-n2cccn2)cc1 ZINC000824562307 608550368 /nfs/dbraw/zinc/55/03/68/608550368.db2.gz FHCBKBDXAQCGTM-LBPRGKRZSA-N 1 0 394.464 2.403 20 0 GEADRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1-n1cncn1 ZINC000826158847 608567003 /nfs/dbraw/zinc/56/70/03/608567003.db2.gz FRMIEOVECMBHTE-UHFFFAOYSA-N 1 0 390.451 2.096 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824529793 608579136 /nfs/dbraw/zinc/57/91/36/608579136.db2.gz HKWKNZAUBTVEFY-RTPGUIODSA-N 1 0 398.492 2.282 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)[C@@H](C)C[N@@H+]1C ZINC000824974700 608594297 /nfs/dbraw/zinc/59/42/97/608594297.db2.gz DGNKHLYUCVUGNM-KGLIPLIRSA-N 1 0 393.451 2.219 20 0 GEADRO COCc1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1 ZINC000826164547 608594834 /nfs/dbraw/zinc/59/48/34/608594834.db2.gz GCBGVGQFCQMJPO-UHFFFAOYSA-N 1 0 382.443 2.474 20 0 GEADRO O=S(=O)(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826492971 608757819 /nfs/dbraw/zinc/75/78/19/608757819.db2.gz NNQIRTSAUVOHGU-UHFFFAOYSA-N 1 0 398.492 2.306 20 0 GEADRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c(O)c1C ZINC000826282094 608762755 /nfs/dbraw/zinc/76/27/55/608762755.db2.gz XWUFXRAJOVIGBL-UHFFFAOYSA-N 1 0 394.479 2.393 20 0 GEADRO CN1CC[N@H+](CCCNc2cnccc2-c2nn[nH]n2)[C@@H](c2ccccc2)C1 ZINC000826038122 608772014 /nfs/dbraw/zinc/77/20/14/608772014.db2.gz IENMYLOMSUSGMR-LJQANCHMSA-N 1 0 378.484 2.052 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824571330 609134748 /nfs/dbraw/zinc/13/47/48/609134748.db2.gz PWOCRSDAYJZKAG-SMDDNHRTSA-N 1 0 375.379 2.235 20 0 GEADRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000826213881 609138908 /nfs/dbraw/zinc/13/89/08/609138908.db2.gz PYFLQFGNQVGQOI-GFCCVEGCSA-N 1 0 384.415 2.095 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824465790 609153899 /nfs/dbraw/zinc/15/38/99/609153899.db2.gz SQGIWSMBRQKJDX-QWHCGFSZSA-N 1 0 393.426 2.455 20 0 GEADRO Fc1ccc(-c2nnc3n2C[C@@H]([NH2+]Cc2ccc(-c4nn[nH]n4)s2)CC3)cc1 ZINC000826373091 609173037 /nfs/dbraw/zinc/17/30/37/609173037.db2.gz YZIQQSMGEAFDGO-ZDUSSCGKSA-N 1 0 396.455 2.430 20 0 GEADRO NC(=O)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1Cl ZINC000826388750 609186967 /nfs/dbraw/zinc/18/69/67/609186967.db2.gz IHBMAGPOJMYHLG-NSHDSACASA-N 1 0 376.873 2.015 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825407049 609190327 /nfs/dbraw/zinc/19/03/27/609190327.db2.gz XDEMOCVOLIANDK-RTBURBONSA-N 1 0 394.479 2.099 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC000824937919 609195688 /nfs/dbraw/zinc/19/56/88/609195688.db2.gz RXLARNAKWMWCIC-CQSZACIVSA-N 1 0 379.468 2.499 20 0 GEADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826468928 609227618 /nfs/dbraw/zinc/22/76/18/609227618.db2.gz NHUTXFBFTCCXAK-LPHOPBHVSA-N 1 0 391.479 2.322 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824936023 609231105 /nfs/dbraw/zinc/23/11/05/609231105.db2.gz DMNDCHOPMNYCNA-MDZRGWNJSA-N 1 0 398.511 2.013 20 0 GEADRO c1cc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2nn[nH]c12 ZINC000826514182 609248249 /nfs/dbraw/zinc/24/82/49/609248249.db2.gz JQRGPAFNHUQJIG-UHFFFAOYSA-N 1 0 375.440 2.215 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826089960 609250676 /nfs/dbraw/zinc/25/06/76/609250676.db2.gz BAGDBMVPMIWBAH-CYBMUJFWSA-N 1 0 398.492 2.115 20 0 GEADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826288008 609252624 /nfs/dbraw/zinc/25/26/24/609252624.db2.gz MUKDCHJEDIQBEM-IBGZPJMESA-N 1 0 392.463 2.443 20 0 GEADRO C[C@@H](OC(=O)c1cc(-c2nn[nH]n2)cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824723334 609263824 /nfs/dbraw/zinc/26/38/24/609263824.db2.gz PXXOUTBMVCJTCC-GDBMZVCRSA-N 1 0 380.452 2.273 20 0 GEADRO NC(=O)c1cccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826393815 609274548 /nfs/dbraw/zinc/27/45/48/609274548.db2.gz KSDJAHPNNFHVKY-UHFFFAOYSA-N 1 0 377.452 2.042 20 0 GEADRO O=C(C[N@@H+]1CCC[C@@H]1C1CCOCC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826410276 609284148 /nfs/dbraw/zinc/28/41/48/609284148.db2.gz IVMKJIMBCZBUMI-MRXNPFEDSA-N 1 0 390.875 2.350 20 0 GEADRO C[C@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824480096 609285189 /nfs/dbraw/zinc/28/51/89/609285189.db2.gz SVKMAHBVLBLAFU-GOEBONIOSA-N 1 0 384.484 2.015 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824744978 609285633 /nfs/dbraw/zinc/28/56/33/609285633.db2.gz KAVXYODFNMAFHF-HRCADAONSA-N 1 0 398.511 2.403 20 0 GEADRO Cc1ccc(C=CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826286206 609299157 /nfs/dbraw/zinc/29/91/57/609299157.db2.gz VRISBZXTYAZLNS-DHZHZOJOSA-N 1 0 391.479 2.174 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000824489457 609316093 /nfs/dbraw/zinc/31/60/93/609316093.db2.gz LANVBMYBFFPFRQ-HNNXBMFYSA-N 1 0 383.500 2.437 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(C)cc2Cl)c1-c1nn[nH]n1 ZINC000826077527 609321981 /nfs/dbraw/zinc/32/19/81/609321981.db2.gz LAXDJNUMPFGSNM-UHFFFAOYSA-N 1 0 388.863 2.264 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824571696 609333102 /nfs/dbraw/zinc/33/31/02/609333102.db2.gz RCWINDLOUBWFNB-CMPLNLGQSA-N 1 0 393.369 2.375 20 0 GEADRO Cn1cc(C[NH2+]CCOc2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361788 609336056 /nfs/dbraw/zinc/33/60/56/609336056.db2.gz OSQVLRRDGBDLCN-UHFFFAOYSA-N 1 0 375.436 2.436 20 0 GEADRO Cc1nccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826330735 609338420 /nfs/dbraw/zinc/33/84/20/609338420.db2.gz GKQTWDWBULTSMS-CQSZACIVSA-N 1 0 391.483 2.198 20 0 GEADRO Cn1cc(C[NH2+]Cc2cccc(CO)c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361702 609338834 /nfs/dbraw/zinc/33/88/34/609338834.db2.gz KBCPUOPREPYNQY-UHFFFAOYSA-N 1 0 375.436 2.049 20 0 GEADRO Cn1cc(CNc2cnn(-c3cc[nH+]cc3)c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826362309 609338997 /nfs/dbraw/zinc/33/89/97/609338997.db2.gz MLRWBHUNYFMEIR-UHFFFAOYSA-N 1 0 398.434 2.460 20 0 GEADRO Cn1cc(C[NH2+]CC2(O)CCCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360854 609340306 /nfs/dbraw/zinc/34/03/06/609340306.db2.gz AQRYWLKPSZBBSX-UHFFFAOYSA-N 1 0 381.484 2.442 20 0 GEADRO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824228439 609340782 /nfs/dbraw/zinc/34/07/82/609340782.db2.gz IKNFGYCTPXPSHW-QFBILLFUSA-N 1 0 381.484 2.418 20 0 GEADRO Cn1cc(C[NH2+]C[C@H](CO)c2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361473 609341720 /nfs/dbraw/zinc/34/17/20/609341720.db2.gz YEFTXUYEFKCPRL-LJQANCHMSA-N 1 0 389.463 2.133 20 0 GEADRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824393525 609342461 /nfs/dbraw/zinc/34/24/61/609342461.db2.gz SLCHEOJEKBYAAE-DYVFJYSZSA-N 1 0 393.451 2.462 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](C2CCC2)CC1 ZINC000823820149 609359736 /nfs/dbraw/zinc/35/97/36/609359736.db2.gz AKHYLOQPLANRLO-UHFFFAOYSA-N 1 0 377.290 2.299 20 0 GEADRO Cn1cc([C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3Br)C2)cn1 ZINC000826360127 609362549 /nfs/dbraw/zinc/36/25/49/609362549.db2.gz YMEZRPRMYXBNSE-LBPRGKRZSA-N 1 0 388.273 2.352 20 0 GEADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000826509395 609386334 /nfs/dbraw/zinc/38/63/34/609386334.db2.gz UPAJASVEUKZITD-HNNXBMFYSA-N 1 0 399.886 2.484 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)ccc1C ZINC000826179547 609415142 /nfs/dbraw/zinc/41/51/42/609415142.db2.gz SRHYGHJHOFWOAL-SFHVURJKSA-N 1 0 392.463 2.469 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(C)C ZINC000825583282 609416817 /nfs/dbraw/zinc/41/68/17/609416817.db2.gz SUCPQVBVXDMZCM-IXDOHACOSA-N 1 0 384.484 2.155 20 0 GEADRO COC1CCC(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826146361 609416826 /nfs/dbraw/zinc/41/68/26/609416826.db2.gz UKLZHNBJHUNBEW-IUPXNIOVSA-N 1 0 384.484 2.157 20 0 GEADRO O=C1[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476790 609417797 /nfs/dbraw/zinc/41/77/97/609417797.db2.gz PJFXJLPXKRUAOQ-FUHWJXTLSA-N 1 0 396.495 2.444 20 0 GEADRO c1ccc2c(c1)CC[C@@H](C[NH+]1CCN(c3cc(-c4nn[nH]n4)ccn3)CC1)C2 ZINC000826523708 609419595 /nfs/dbraw/zinc/41/95/95/609419595.db2.gz UWSAWOSUNUHFFC-MRXNPFEDSA-N 1 0 375.480 2.189 20 0 GEADRO CC(C)(C)[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000735590222 609438619 /nfs/dbraw/zinc/43/86/19/609438619.db2.gz WMOULFZHGKWXOZ-CYBMUJFWSA-N 1 0 392.529 2.132 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1-c1nn[nH]n1 ZINC000824329762 609493920 /nfs/dbraw/zinc/49/39/20/609493920.db2.gz UZTFNEKCMLZKNK-MRXNPFEDSA-N 1 0 387.488 2.458 20 0 GEADRO Cc1c(Cl)cnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826237811 609548907 /nfs/dbraw/zinc/54/89/07/609548907.db2.gz MCMPUXQUNBQOSU-MRXNPFEDSA-N 1 0 399.886 2.079 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc(Cl)c(C)c2-c2nn[nH]n2)C1 ZINC000825411949 609565652 /nfs/dbraw/zinc/56/56/52/609565652.db2.gz ILXKNAQICWPMEM-ZDUSSCGKSA-N 1 0 379.896 2.161 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)ncc1Br ZINC000446539198 649982913 /nfs/dbraw/zinc/98/29/13/649982913.db2.gz KZEKGPNDGHFUQJ-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO C[C@H](SCC[NH+](C)C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000446564011 649983655 /nfs/dbraw/zinc/98/36/55/649983655.db2.gz IMOOOABMWZQUIN-NSHDSACASA-N 1 0 393.962 2.212 20 0 GEADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc2cncc(Br)c21 ZINC000446567103 649983712 /nfs/dbraw/zinc/98/37/12/649983712.db2.gz WNBHORGEQNOLMG-UHFFFAOYSA-N 1 0 391.269 2.148 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC[N@@H+]1C ZINC000446672090 649986257 /nfs/dbraw/zinc/98/62/57/649986257.db2.gz SSRMQAAJYATLSG-RISCZKNCSA-N 1 0 394.313 2.475 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000447252815 650004131 /nfs/dbraw/zinc/00/41/31/650004131.db2.gz UFAXRUNPHHSIRK-GHMZBOCLSA-N 1 0 377.304 2.124 20 0 GEADRO C[C@H](CC[NH3+])NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000447252853 650004143 /nfs/dbraw/zinc/00/41/43/650004143.db2.gz UKRJBELILQPDSV-SSDOTTSWSA-N 1 0 391.209 2.363 20 0 GEADRO Cc1nn(C)c(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000447930082 650010864 /nfs/dbraw/zinc/01/08/64/650010864.db2.gz KODUGTQGQXFJDC-SFHVURJKSA-N 1 0 393.329 2.218 20 0 GEADRO COCC[C@@]1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCOC1 ZINC000447393472 650006226 /nfs/dbraw/zinc/00/62/26/650006226.db2.gz FMBDRAGEOQSJQR-OAHLLOKOSA-N 1 0 392.315 2.008 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000448601179 650017711 /nfs/dbraw/zinc/01/77/11/650017711.db2.gz QIHMUHZXMIKIRP-UHFFFAOYSA-N 1 0 397.292 2.389 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1cccnc1-n1cc(Br)cn1)C1CC1 ZINC000448748622 650020487 /nfs/dbraw/zinc/02/04/87/650020487.db2.gz LVJFSQOSIYUXHF-CQSZACIVSA-N 1 0 378.274 2.100 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000448975565 650027876 /nfs/dbraw/zinc/02/78/76/650027876.db2.gz PSENPHARLYKSIV-UHFFFAOYSA-N 1 0 392.301 2.444 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000449064343 650031117 /nfs/dbraw/zinc/03/11/17/650031117.db2.gz PQBBRGOPTBLUMQ-KRWDZBQOSA-N 1 0 380.535 2.315 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000449084068 650031160 /nfs/dbraw/zinc/03/11/60/650031160.db2.gz FLSPGOLDQDZHCR-QWHCGFSZSA-N 1 0 385.302 2.479 20 0 GEADRO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000449125947 650032271 /nfs/dbraw/zinc/03/22/71/650032271.db2.gz SKOCZSQQYWZCLN-QKCSRTOESA-N 1 0 393.290 2.372 20 0 GEADRO Fc1c(Br)cccc1C[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000449086103 650031552 /nfs/dbraw/zinc/03/15/52/650031552.db2.gz ARNCNPBXDYEWLH-UHFFFAOYSA-N 1 0 394.292 2.290 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[NH+]2CCC1CC2 ZINC000449325085 650038445 /nfs/dbraw/zinc/03/84/45/650038445.db2.gz JTCIYQCULFUYKN-CYBMUJFWSA-N 1 0 396.329 2.242 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000449149077 650032918 /nfs/dbraw/zinc/03/29/18/650032918.db2.gz VYZDRODDKWEZHO-PIGZYNQJSA-N 1 0 385.302 2.213 20 0 GEADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(I)cc2)O1 ZINC000449209150 650034320 /nfs/dbraw/zinc/03/43/20/650034320.db2.gz UBXOFCDAHAFIKR-ZIAGYGMSSA-N 1 0 388.249 2.017 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449220190 650034685 /nfs/dbraw/zinc/03/46/85/650034685.db2.gz GHIHSKBKUGCHEO-BXUZGUMPSA-N 1 0 379.295 2.396 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC1(O)CCC1 ZINC000449238066 650035058 /nfs/dbraw/zinc/03/50/58/650035058.db2.gz PXTRAJSSLILMHH-GFCCVEGCSA-N 1 0 385.302 2.309 20 0 GEADRO CS(=O)(=O)N1CC(C[NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449256886 650036037 /nfs/dbraw/zinc/03/60/37/650036037.db2.gz GEVAVFPODVCXLQ-UHFFFAOYSA-N 1 0 391.306 2.315 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(CCO)CC1 ZINC000449267343 650036832 /nfs/dbraw/zinc/03/68/32/650036832.db2.gz ZGSXEQBPYKIOAV-LBPRGKRZSA-N 1 0 385.302 2.215 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449281101 650037243 /nfs/dbraw/zinc/03/72/43/650037243.db2.gz CDRKDANOEHDZPA-UHFFFAOYSA-N 1 0 390.481 2.010 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ncccc1O ZINC000449293479 650037556 /nfs/dbraw/zinc/03/75/56/650037556.db2.gz HTLJPIBRMZXLCX-NSHDSACASA-N 1 0 394.269 2.353 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)[C@H](C)O1 ZINC000449319036 650038288 /nfs/dbraw/zinc/03/82/88/650038288.db2.gz XPUYWBDNPFLSMS-DYEKYZERSA-N 1 0 391.331 2.273 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)CC[N@H+](C)C1CC1 ZINC000449324170 650038319 /nfs/dbraw/zinc/03/83/19/650038319.db2.gz CYGPPKDBBDSVPF-ZDUSSCGKSA-N 1 0 398.345 2.488 20 0 GEADRO C[C@H](C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(F)cc(F)c1 ZINC000449328709 650038348 /nfs/dbraw/zinc/03/83/48/650038348.db2.gz KSGZSZUGWFJLJX-DYVFJYSZSA-N 1 0 375.485 2.319 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](CO)C(C)C ZINC000449322376 650038394 /nfs/dbraw/zinc/03/83/94/650038394.db2.gz XGKXNDGVKUMWFW-TZMCWYRMSA-N 1 0 387.318 2.317 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)CC(=O)N(C)C ZINC000449681666 650045285 /nfs/dbraw/zinc/04/52/85/650045285.db2.gz MJBKQUQPHTYVFK-OLZOCXBDSA-N 1 0 387.318 2.065 20 0 GEADRO COC[C@](C)(O)CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000449384411 650039389 /nfs/dbraw/zinc/03/93/89/650039389.db2.gz NFHITVQSPBEWSE-CYBMUJFWSA-N 1 0 385.192 2.447 20 0 GEADRO CN(CC[N@H+](C)Cc1scnc1C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000449430054 650040694 /nfs/dbraw/zinc/04/06/94/650040694.db2.gz YXSJCYZHCMDPIQ-UHFFFAOYSA-N 1 0 380.539 2.236 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000449443988 650041211 /nfs/dbraw/zinc/04/12/11/650041211.db2.gz XNVVVSSGJTZBNA-MFKMUULPSA-N 1 0 381.311 2.437 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Br)cc3N3CCOCC3)C[C@@H]21 ZINC000449525553 650042160 /nfs/dbraw/zinc/04/21/60/650042160.db2.gz VYWUXIQLWPNYBY-QAPCUYQASA-N 1 0 380.330 2.422 20 0 GEADRO C[C@@H]1CN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C[C@H](C)[N@H+]1CCO ZINC000449533339 650042466 /nfs/dbraw/zinc/04/24/66/650042466.db2.gz KCFLKASERJSHLX-BETUJISGSA-N 1 0 384.311 2.461 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ncc(C)n1C ZINC000449686270 650045616 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CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449708937 650046932 /nfs/dbraw/zinc/04/69/32/650046932.db2.gz HTDRIZZMLIAYAJ-ZENOOKHLSA-N 1 0 396.329 2.447 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000449710293 650046941 /nfs/dbraw/zinc/04/69/41/650046941.db2.gz ABUDSTPZHMGEJJ-KCXAZCMYSA-N 1 0 394.313 2.297 20 0 GEADRO CSc1ccc(N2C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2=O)cc1 ZINC000449714614 650047107 /nfs/dbraw/zinc/04/71/07/650047107.db2.gz CLZLIWDEJDEQAV-GWCFXTLKSA-N 1 0 375.416 2.157 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000449716100 650047404 /nfs/dbraw/zinc/04/74/04/650047404.db2.gz KLORGASDTNTDCC-RYUDHWBXSA-N 1 0 399.563 2.145 20 0 GEADRO COC[C@@](C)([NH3+])CNc1nc(C(F)(F)F)ccc1I ZINC000450329065 650063871 /nfs/dbraw/zinc/06/38/71/650063871.db2.gz DXQKKWZWFIZOGR-JTQLQIEISA-N 1 0 389.159 2.481 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)c2cccnc2-n2cc(Br)cn2)CCC[N@@H+]1C ZINC000450794568 650070447 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O=C(NC[C@H]1CCC[N@H+]1CCCO)C1(c2ccccc2Br)CC1 ZINC000452370268 650182537 /nfs/dbraw/zinc/18/25/37/650182537.db2.gz SHNRFWYZANSUJS-CQSZACIVSA-N 1 0 381.314 2.444 20 0 GEADRO O=C(CCc1cccc(F)c1Br)NC[C@H]1CCCC[N@H+]1CCO ZINC000452378253 650182886 /nfs/dbraw/zinc/18/28/86/650182886.db2.gz OGWKPYDLZCJAHK-CQSZACIVSA-N 1 0 387.293 2.484 20 0 GEADRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000453184403 650206810 /nfs/dbraw/zinc/20/68/10/650206810.db2.gz ZSYLWIBYFSUPQV-CJNGLKHVSA-N 1 0 382.917 2.034 20 0 GEADRO CO[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C12CCC2 ZINC000453214740 650207011 /nfs/dbraw/zinc/20/70/11/650207011.db2.gz NGJXXQTZZZPOIC-GJZGRUSLSA-N 1 0 376.881 2.305 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000453214049 650207037 /nfs/dbraw/zinc/20/70/37/650207037.db2.gz DLKPBJIYWFYCAB-INIZCTEOSA-N 1 0 384.933 2.438 20 0 GEADRO CO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C12CCC2 ZINC000453214742 650207047 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Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000453601247 650209966 /nfs/dbraw/zinc/20/99/66/650209966.db2.gz MZXYBXNYSXCNOA-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000453626127 650210703 /nfs/dbraw/zinc/21/07/03/650210703.db2.gz SFJHHBKQOJDXIO-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000453645702 650211727 /nfs/dbraw/zinc/21/17/27/650211727.db2.gz XZIFCPRPPXJDTM-GFCCVEGCSA-N 1 0 397.317 2.328 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Br)cnc2C)C[C@@H]1C ZINC000453666954 650213970 /nfs/dbraw/zinc/21/39/70/650213970.db2.gz IGWFZIHHNNRFSI-FZMZJTMJSA-N 1 0 397.317 2.422 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000453672709 650214373 /nfs/dbraw/zinc/21/43/73/650214373.db2.gz SFJHJZIGHWKXGU-MFKMUULPSA-N 1 0 398.276 2.434 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000453715177 650218804 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CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000454101001 650253358 /nfs/dbraw/zinc/25/33/58/650253358.db2.gz OJMDOPJMLRAHOH-LLVKDONJSA-N 1 0 378.420 2.128 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000454118882 650255212 /nfs/dbraw/zinc/25/52/12/650255212.db2.gz YYJYVHWMCLTOEH-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000454162604 650256867 /nfs/dbraw/zinc/25/68/67/650256867.db2.gz XZVQVKHILCLLFO-AWEZNQCLSA-N 1 0 396.289 2.412 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000454477847 650267629 /nfs/dbraw/zinc/26/76/29/650267629.db2.gz DHOUGLQQAXLZSS-NHYWBVRUSA-N 1 0 399.308 2.121 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)NC1CCC(CS(C)(=O)=O)CC1)C(C)(C)C ZINC000454522150 650268423 /nfs/dbraw/zinc/26/84/23/650268423.db2.gz QUCKEQJSCNKBJF-GPANFISMSA-N 1 0 375.579 2.255 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000454631354 650273958 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Cc1csc([C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C(F)(F)F)n1 ZINC000455706992 650313674 /nfs/dbraw/zinc/31/36/74/650313674.db2.gz PYIKPVASFUMFJV-NWDGAFQWSA-N 1 0 380.436 2.201 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(I)cn2)[C@H](C)C1 ZINC000455731149 650314387 /nfs/dbraw/zinc/31/43/87/650314387.db2.gz AWYCNFDOIRBMAW-BXUZGUMPSA-N 1 0 387.265 2.489 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(I)cn2)[C@H](C)C1 ZINC000455731152 650314676 /nfs/dbraw/zinc/31/46/76/650314676.db2.gz AWYCNFDOIRBMAW-RISCZKNCSA-N 1 0 387.265 2.489 20 0 GEADRO CC(C)[NH+](CCN(C)C(=O)Nc1nnc2ccc(Br)cn21)C(C)C ZINC000455748550 650315390 /nfs/dbraw/zinc/31/53/90/650315390.db2.gz CGJREGDBFHYKIE-UHFFFAOYSA-N 1 0 397.321 3.074 20 0 GEADRO C[NH+](C)CC1(CNC(=O)Nc2nnc3ccc(Br)cn32)CCCC1 ZINC000455746778 650315482 /nfs/dbraw/zinc/31/54/82/650315482.db2.gz AXQNOKFJWCPVED-UHFFFAOYSA-N 1 0 395.305 2.735 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(I)cn1 ZINC000455850198 650321716 /nfs/dbraw/zinc/32/17/16/650321716.db2.gz REHXZETZGHUBAX-CHWSQXEVSA-N 1 0 385.249 2.385 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455972135 650327356 /nfs/dbraw/zinc/32/73/56/650327356.db2.gz PBPSBAOZUOSFCU-ZDUSSCGKSA-N 1 0 375.698 2.470 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(I)cn2)CC1 ZINC000456020917 650327773 /nfs/dbraw/zinc/32/77/73/650327773.db2.gz RAXSEIMGVATKDL-UHFFFAOYSA-N 1 0 385.249 2.387 20 0 GEADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC(=O)N(C)C ZINC000456373919 650338375 /nfs/dbraw/zinc/33/83/75/650338375.db2.gz PLBYIJYHZRUOQS-LBPRGKRZSA-N 1 0 397.317 2.006 20 0 GEADRO CCC[N@H+](C)CC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000456484585 650342785 /nfs/dbraw/zinc/34/27/85/650342785.db2.gz HDVURIRQJCWZOY-CQSZACIVSA-N 1 0 387.318 2.067 20 0 GEADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000456583905 650349657 /nfs/dbraw/zinc/34/96/57/650349657.db2.gz GEERXEJQGMWOFG-KRWDZBQOSA-N 1 0 399.329 2.425 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC000456707180 650355832 /nfs/dbraw/zinc/35/58/32/650355832.db2.gz BNSWLWGWLQEQLQ-CYBMUJFWSA-N 1 0 387.318 2.065 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000456709968 650356451 /nfs/dbraw/zinc/35/64/51/650356451.db2.gz GBOFIVQPMMKRCJ-DYVFJYSZSA-N 1 0 399.304 2.482 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456733042 650361344 /nfs/dbraw/zinc/36/13/44/650361344.db2.gz VMBCGTZDZVUICH-KWCYVHTRSA-N 1 0 387.293 2.053 20 0 GEADRO C[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)[C@@H](C)[C@H]1[NH3+] ZINC000457365954 650376864 /nfs/dbraw/zinc/37/68/64/650376864.db2.gz SSYZHDVOZDFTOV-YDHLFZDLSA-N 1 0 385.555 2.121 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000457381224 650377108 /nfs/dbraw/zinc/37/71/08/650377108.db2.gz QEIVTTSTLJUZSE-BDAKNGLRSA-N 1 0 389.091 2.288 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000500458535 650377638 /nfs/dbraw/zinc/37/76/38/650377638.db2.gz DHJIKHMLEQDUKP-HNNXBMFYSA-N 1 0 389.924 2.270 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000457460273 650379351 /nfs/dbraw/zinc/37/93/51/650379351.db2.gz OBHUEBDVHNMOLC-OAHLLOKOSA-N 1 0 398.345 2.302 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000500496951 650379490 /nfs/dbraw/zinc/37/94/90/650379490.db2.gz JKNHWPQCXMNLGY-RISCZKNCSA-N 1 0 379.295 2.396 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1Br ZINC000500501047 650379750 /nfs/dbraw/zinc/37/97/50/650379750.db2.gz SUPAJLUFZSRJTG-JSGCOSHPSA-N 1 0 391.331 2.265 20 0 GEADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500537640 650380071 /nfs/dbraw/zinc/38/00/71/650380071.db2.gz UIVPCRQGGNFWOH-BXUZGUMPSA-N 1 0 391.331 2.265 20 0 GEADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000500572274 650381048 /nfs/dbraw/zinc/38/10/48/650381048.db2.gz QMTYNQDCHXGTDB-XHDPSFHLSA-N 1 0 391.331 2.265 20 0 GEADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Br)co1 ZINC000457646645 650382348 /nfs/dbraw/zinc/38/23/48/650382348.db2.gz KANMBYSQLWGBPA-OAHLLOKOSA-N 1 0 379.254 2.191 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000500807936 650383041 /nfs/dbraw/zinc/38/30/41/650383041.db2.gz KXHHTQVMMVUYFM-UHFFFAOYSA-N 1 0 388.306 2.352 20 0 GEADRO C[C@@H](CC(F)(F)F)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000457762519 650383773 /nfs/dbraw/zinc/38/37/73/650383773.db2.gz UZEIXQKSPVDYBR-NSHDSACASA-N 1 0 381.420 2.054 20 0 GEADRO Cc1cc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1Br ZINC000500982855 650385614 /nfs/dbraw/zinc/38/56/14/650385614.db2.gz ZHGZEIICLWLLBT-UHFFFAOYSA-N 1 0 383.330 2.417 20 0 GEADRO O=C(CCc1nnc(-c2cc(F)ccc2Br)o1)NCC[NH+]1CCC1 ZINC000501051028 650386820 /nfs/dbraw/zinc/38/68/20/650386820.db2.gz DMVDJXGUZQBHAY-UHFFFAOYSA-N 1 0 397.248 2.393 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[NH+](C2CCC2)CC1 ZINC000501356417 650390378 /nfs/dbraw/zinc/39/03/78/650390378.db2.gz BIRAIJZXPASVRQ-UHFFFAOYSA-N 1 0 395.297 2.460 20 0 GEADRO COc1cc(Br)c(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1OC ZINC000501949798 650399444 /nfs/dbraw/zinc/39/94/44/650399444.db2.gz RVJAIIUXDCFCBU-CHWSQXEVSA-N 1 0 387.318 2.353 20 0 GEADRO Cc1cc(CNC(=O)NCC2CC[NH+](CCO)CC2)ccc1Br ZINC000458378430 650401314 /nfs/dbraw/zinc/40/13/14/650401314.db2.gz MJAAWHOIVOQBHY-UHFFFAOYSA-N 1 0 384.318 2.261 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000502037266 650400345 /nfs/dbraw/zinc/40/03/45/650400345.db2.gz OPSAGTDZHZFPBX-UHFFFAOYSA-N 1 0 393.285 2.461 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458384163 650401639 /nfs/dbraw/zinc/40/16/39/650401639.db2.gz UMCJDRDGWGPFTD-INIZCTEOSA-N 1 0 384.318 2.404 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)C2=O)ccc1Br ZINC000502162758 650402288 /nfs/dbraw/zinc/40/22/88/650402288.db2.gz ADPLQXQHWQNCDS-WFASDCNBSA-N 1 0 397.317 2.112 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000458425045 650403133 /nfs/dbraw/zinc/40/31/33/650403133.db2.gz MAHKKULQDIDYDR-UHFFFAOYSA-N 1 0 395.305 2.374 20 0 GEADRO O=S(=O)([C@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1)N1CCOCC1 ZINC000502376409 650405766 /nfs/dbraw/zinc/40/57/66/650405766.db2.gz NLPCLMKZDZBHLS-KRWDZBQOSA-N 1 0 388.530 2.044 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000458698949 650407959 /nfs/dbraw/zinc/40/79/59/650407959.db2.gz SFPRORQNJVWNBH-CQSZACIVSA-N 1 0 388.281 2.453 20 0 GEADRO CC[N@H+](CCNC(=O)N1CC[C@H]([C@H](O)C(F)(F)F)C1)CCC(F)(F)F ZINC000458706098 650408371 /nfs/dbraw/zinc/40/83/71/650408371.db2.gz CLWRVRADJWYCLV-QWRGUYRKSA-N 1 0 379.345 2.215 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)COc3cccc(Br)c3)[C@H]2C1 ZINC000502741243 650410925 /nfs/dbraw/zinc/41/09/25/650410925.db2.gz RHCYKTLDFNRUMC-JKSUJKDBSA-N 1 0 383.286 2.150 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCc1ccc(Br)cc1Cl ZINC000458883623 650413322 /nfs/dbraw/zinc/41/33/22/650413322.db2.gz LXKSGRKITRVGQU-OAHLLOKOSA-N 1 0 392.725 2.257 20 0 GEADRO CS[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000503775059 650422280 /nfs/dbraw/zinc/42/22/80/650422280.db2.gz PRDGKFIMHHOHSU-HUUCEWRRSA-N 1 0 383.583 2.429 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000459055617 650418419 /nfs/dbraw/zinc/41/84/19/650418419.db2.gz FRRDSKZKFWZUSP-CJNGLKHVSA-N 1 0 388.281 2.187 20 0 GEADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000503522181 650419326 /nfs/dbraw/zinc/41/93/26/650419326.db2.gz JIUKTFMQQHHDTQ-CABCVRRESA-N 1 0 385.555 2.105 20 0 GEADRO C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC(N)=O)c1ccc(Br)cc1 ZINC000503524086 650419359 /nfs/dbraw/zinc/41/93/59/650419359.db2.gz UIXREEXAYANUGR-WFASDCNBSA-N 1 0 382.302 2.356 20 0 GEADRO CC[C@H]1CN(C(=O)NCCc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000459145427 650419515 /nfs/dbraw/zinc/41/95/15/650419515.db2.gz HPRGPNJWXFEKIU-PBHICJAKSA-N 1 0 398.345 2.478 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000459217539 650421587 /nfs/dbraw/zinc/42/15/87/650421587.db2.gz PXQXBTLIOVFTFK-NSHDSACASA-N 1 0 378.274 2.315 20 0 GEADRO CCCNC(=O)CN1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459361415 650423073 /nfs/dbraw/zinc/42/30/73/650423073.db2.gz FMZMVRCLWFICDQ-UHFFFAOYSA-N 1 0 384.318 2.235 20 0 GEADRO CCOc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc(Br)c1O ZINC000459442187 650424435 /nfs/dbraw/zinc/42/44/35/650424435.db2.gz WWXGOUYSDVIWJJ-NSHDSACASA-N 1 0 378.288 2.220 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc(Br)cc1S(N)(=O)=O ZINC000504039008 650425975 /nfs/dbraw/zinc/42/59/75/650425975.db2.gz ADIIGQZIMIJTML-NSHDSACASA-N 1 0 391.335 2.168 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000504056017 650426436 /nfs/dbraw/zinc/42/64/36/650426436.db2.gz LPSPGSKTPYLZCT-UHFFFAOYSA-N 1 0 381.782 2.288 20 0 GEADRO C[NH+](C)CC(C)(C)NCC(=O)Nc1ccc(I)cc1 ZINC000459547447 650428382 /nfs/dbraw/zinc/42/83/82/650428382.db2.gz JPWOTHFLLLTACZ-UHFFFAOYSA-N 1 0 375.254 2.160 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(O)c1Br ZINC000459549431 650428408 /nfs/dbraw/zinc/42/84/08/650428408.db2.gz RNEHOKMZNARCSW-DGCLKSJQSA-N 1 0 391.331 2.352 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C1CC1 ZINC000504363059 650429977 /nfs/dbraw/zinc/42/99/77/650429977.db2.gz SFEMBWFQECNBRJ-GFCCVEGCSA-N 1 0 375.803 2.336 20 0 GEADRO O=C(C[NH2+]C1(CO)CCSCC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000459721538 650431526 /nfs/dbraw/zinc/43/15/26/650431526.db2.gz YUADKHAKCNCBAF-UHFFFAOYSA-N 1 0 386.901 2.288 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459781357 650432556 /nfs/dbraw/zinc/43/25/56/650432556.db2.gz NRDVYGIMJCXJOL-PMPSAXMXSA-N 1 0 385.551 2.422 20 0 GEADRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000459788735 650432634 /nfs/dbraw/zinc/43/26/34/650432634.db2.gz FMXLCJJLLJDBNX-CVEARBPZSA-N 1 0 385.302 2.443 20 0 GEADRO CS[C@@H]1CN(C(=O)C2CCN(CC(F)(F)F)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000504873397 650433337 /nfs/dbraw/zinc/43/33/37/650433337.db2.gz SVDXCPMGTOTMLU-LSDHHAIUSA-N 1 0 379.492 2.299 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000505401870 650437246 /nfs/dbraw/zinc/43/72/46/650437246.db2.gz FVQIUYSSSDXBJC-QGZVFWFLSA-N 1 0 375.579 2.158 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000460032852 650438405 /nfs/dbraw/zinc/43/84/05/650438405.db2.gz NUDGWKWUZFWMMA-UHFFFAOYSA-N 1 0 388.331 2.023 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCOCC(F)(F)C1 ZINC000460228057 650440137 /nfs/dbraw/zinc/44/01/37/650440137.db2.gz NGXWCOVSBWNILW-UHFFFAOYSA-N 1 0 377.501 2.415 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000460261956 650440891 /nfs/dbraw/zinc/44/08/91/650440891.db2.gz ZHZOMHFIMWBSOA-QGZVFWFLSA-N 1 0 384.318 2.093 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCc2cc(Cl)ccc2Br)C1 ZINC000460263407 650440991 /nfs/dbraw/zinc/44/09/91/650440991.db2.gz NIQWHMIMVTYWKL-OAHLLOKOSA-N 1 0 390.709 2.011 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCc2cc(Cl)ccc2Br)C1 ZINC000460263401 650441042 /nfs/dbraw/zinc/44/10/42/650441042.db2.gz NIQWHMIMVTYWKL-HNNXBMFYSA-N 1 0 390.709 2.011 20 0 GEADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1cnccn1 ZINC000506639057 650448225 /nfs/dbraw/zinc/44/82/25/650448225.db2.gz GZVRXJQSCPXLLQ-GFCCVEGCSA-N 1 0 399.314 2.258 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000506849462 650451261 /nfs/dbraw/zinc/45/12/61/650451261.db2.gz BISAGUIVRJOAID-ZDUSSCGKSA-N 1 0 381.270 2.383 20 0 GEADRO Cc1ccc(Br)cc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000461097340 650449171 /nfs/dbraw/zinc/44/91/71/650449171.db2.gz YJPRMMZSJMGTCR-UHFFFAOYSA-N 1 0 396.329 2.430 20 0 GEADRO C[C@@H]1[C@@H](NS(=O)(=O)CCc2ccccc2Br)CCC[N@@H+]1C ZINC000462060251 650465326 /nfs/dbraw/zinc/46/53/26/650465326.db2.gz QBQABONXSFXPHV-DOMZBBRYSA-N 1 0 375.332 2.394 20 0 GEADRO COc1nc(N2CC[NH+](CCCc3ccncc3)CC2)ncc1Br ZINC000462324628 650475099 /nfs/dbraw/zinc/47/50/99/650475099.db2.gz YJODKZYOZDZPQZ-UHFFFAOYSA-N 1 0 392.301 2.398 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000462689193 650488516 /nfs/dbraw/zinc/48/85/16/650488516.db2.gz VCEQHKRVFHFVIA-WFASDCNBSA-N 1 0 380.901 2.116 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000462754022 650490221 /nfs/dbraw/zinc/49/02/21/650490221.db2.gz NCFUMAYJRWEGAX-UHFFFAOYSA-N 1 0 381.885 2.432 20 0 GEADRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(Br)cc1OCCCO ZINC000463359661 650493954 /nfs/dbraw/zinc/49/39/54/650493954.db2.gz GVROTBVZXGJXML-ZDUSSCGKSA-N 1 0 385.302 2.483 20 0 GEADRO C[C@H]([NH2+]CCN1C(=O)CCC1=O)c1ccc(Br)cc1OCCCO ZINC000463362720 650494267 /nfs/dbraw/zinc/49/42/67/650494267.db2.gz SZUVLOIHUZCJQY-LBPRGKRZSA-N 1 0 399.285 2.010 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[N@H+](C)CCc2cccc(Br)c2)C[C@H](C)O1 ZINC000463414798 650495078 /nfs/dbraw/zinc/49/50/78/650495078.db2.gz NXMWXKMMUAHZBV-RVKKMQEKSA-N 1 0 385.346 2.394 20 0 GEADRO O=C(NC[C@H]1CCCS1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000465314274 650497718 /nfs/dbraw/zinc/49/77/18/650497718.db2.gz VUPXGEOBKWLCIW-OAHLLOKOSA-N 1 0 379.551 2.186 20 0 GEADRO COc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1I ZINC000509667547 650498628 /nfs/dbraw/zinc/49/86/28/650498628.db2.gz AHZSIOCYTYQIIH-WDEREUQCSA-N 1 0 388.249 2.464 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000509710653 650499490 /nfs/dbraw/zinc/49/94/90/650499490.db2.gz DGTSRALXWBJCGU-UHFFFAOYSA-N 1 0 390.311 2.036 20 0 GEADRO CCOCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000509801476 650500964 /nfs/dbraw/zinc/50/09/64/650500964.db2.gz GANCPEVBKSRVLN-UHFFFAOYSA-N 1 0 382.448 2.435 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467087586 650502374 /nfs/dbraw/zinc/50/23/74/650502374.db2.gz ZSHDMIVCGMHHIB-BONVTDFDSA-N 1 0 380.286 2.295 20 0 GEADRO CC[NH+]1CCN(CC(=O)Nc2cc(OC)c(OC)cc2Br)CC1 ZINC000468122885 650504313 /nfs/dbraw/zinc/50/43/13/650504313.db2.gz YDRDWHAEBXZSRU-UHFFFAOYSA-N 1 0 386.290 2.042 20 0 GEADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000509983286 650505152 /nfs/dbraw/zinc/50/51/52/650505152.db2.gz CMXFGYSEMKDBFW-CQSZACIVSA-N 1 0 393.912 2.040 20 0 GEADRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000510366136 650510842 /nfs/dbraw/zinc/51/08/42/650510842.db2.gz DPSMBMVPPDSDKC-CWRNSKLLSA-N 1 0 389.587 2.211 20 0 GEADRO C[N@H+](CCNC(=O)CCOc1cccc(I)c1)C1CC1 ZINC000468913382 650508016 /nfs/dbraw/zinc/50/80/16/650508016.db2.gz JYFTWZOXPRFNIN-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO C[NH+]1CCC(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000469415538 650509796 /nfs/dbraw/zinc/50/97/96/650509796.db2.gz FRLCUJXTCBKYDW-UHFFFAOYSA-N 1 0 382.302 2.027 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cncc(Br)c1 ZINC000470613394 650514305 /nfs/dbraw/zinc/51/43/05/650514305.db2.gz QFRXBZZPOXWWNA-XQQFMLRXSA-N 1 0 390.347 2.489 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Br ZINC000510781434 650519002 /nfs/dbraw/zinc/51/90/02/650519002.db2.gz UBMYFJAVEMDZLK-ZIAGYGMSSA-N 1 0 391.331 2.408 20 0 GEADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000510792177 650519431 /nfs/dbraw/zinc/51/94/31/650519431.db2.gz QIEXZLOJZABHKB-APHBMKBZSA-N 1 0 385.555 2.186 20 0 GEADRO CC(C)N1CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510799733 650519573 /nfs/dbraw/zinc/51/95/73/650519573.db2.gz WOVQWHSJPJQYEU-SJORKVTESA-N 1 0 391.940 2.484 20 0 GEADRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1nncn1C ZINC000510921549 650521203 /nfs/dbraw/zinc/52/12/03/650521203.db2.gz OUYPWLHDGKXCOW-ZFWWWQNUSA-N 1 0 383.290 2.304 20 0 GEADRO Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511091668 650525738 /nfs/dbraw/zinc/52/57/38/650525738.db2.gz MWTLRAFXYUSZPN-CQSZACIVSA-N 1 0 387.933 2.190 20 0 GEADRO Cn1ccc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1 ZINC000473987310 650526418 /nfs/dbraw/zinc/52/64/18/650526418.db2.gz MRDHJEAKEXWWFA-UHFFFAOYSA-N 1 0 379.302 2.352 20 0 GEADRO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000511109517 650526556 /nfs/dbraw/zinc/52/65/56/650526556.db2.gz UXNITWTYHNEPNO-AWEZNQCLSA-N 1 0 380.432 2.341 20 0 GEADRO CC(=O)Nc1nc(CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cs1 ZINC000511127400 650527317 /nfs/dbraw/zinc/52/73/17/650527317.db2.gz VLCUSEBIPULITR-LLVKDONJSA-N 1 0 378.420 2.382 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)NCCn2cc(Br)cn2)CC1 ZINC000511219106 650529467 /nfs/dbraw/zinc/52/94/67/650529467.db2.gz YXDYXPSFHIDXHN-UHFFFAOYSA-N 1 0 386.338 2.409 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000475264887 650530143 /nfs/dbraw/zinc/53/01/43/650530143.db2.gz GXMUIPLFVHBVNI-JTQLQIEISA-N 1 0 384.249 2.188 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000475297950 650531154 /nfs/dbraw/zinc/53/11/54/650531154.db2.gz QRFZNHAECLHOOQ-UHFFFAOYSA-N 1 0 384.267 2.186 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@@H]1C ZINC000475386130 650532355 /nfs/dbraw/zinc/53/23/55/650532355.db2.gz AKCPARLTLWYNIH-JGGQBBKZSA-N 1 0 386.286 2.320 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000511381824 650535558 /nfs/dbraw/zinc/53/55/58/650535558.db2.gz JOXCMNHTCNIYIX-LBPRGKRZSA-N 1 0 386.290 2.041 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000475552895 650535565 /nfs/dbraw/zinc/53/55/65/650535565.db2.gz NADMULBZFKOZLZ-UHFFFAOYSA-N 1 0 384.468 2.434 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000475656607 650535820 /nfs/dbraw/zinc/53/58/20/650535820.db2.gz OVPDCTQGDNDAJJ-AWEZNQCLSA-N 1 0 395.301 2.246 20 0 GEADRO CC1(C)CC(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC(C)(C)[NH2+]1 ZINC000511496347 650537760 /nfs/dbraw/zinc/53/77/60/650537760.db2.gz HLONCWUOPFNVBK-UHFFFAOYSA-N 1 0 393.962 2.105 20 0 GEADRO C[C@](CO)([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000511567526 650538774 /nfs/dbraw/zinc/53/87/74/650538774.db2.gz ZUPURUKNBZMFBX-SWLSCSKDSA-N 1 0 376.316 2.071 20 0 GEADRO Cn1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(-c2ccc(Cl)s2)n1 ZINC000476323859 650548258 /nfs/dbraw/zinc/54/82/58/650548258.db2.gz CLWNPVCEUZZLEU-LBPRGKRZSA-N 1 0 382.917 2.379 20 0 GEADRO COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000476338098 650548473 /nfs/dbraw/zinc/54/84/73/650548473.db2.gz BFMKFHQIVGCWGS-JKSUJKDBSA-N 1 0 388.555 2.173 20 0 GEADRO C[N@H+](CCNC(=O)c1sccc1S(=O)(=O)NCc1cccs1)C1CC1 ZINC000512137057 650545665 /nfs/dbraw/zinc/54/56/65/650545665.db2.gz GKWFZPGEHJPPSJ-UHFFFAOYSA-N 1 0 399.563 2.112 20 0 GEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncccc1Br ZINC000476213920 650546580 /nfs/dbraw/zinc/54/65/80/650546580.db2.gz AHMGFYLTJOVPOC-SFHVURJKSA-N 1 0 390.281 2.211 20 0 GEADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512364553 650546814 /nfs/dbraw/zinc/54/68/14/650546814.db2.gz IFNOJGYILSEUHJ-AWEZNQCLSA-N 1 0 385.295 2.147 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N[C@H](CO)C[NH+]2CCCCC2)c(Br)c1 ZINC000512390038 650547511 /nfs/dbraw/zinc/54/75/11/650547511.db2.gz XQIIPXONJMGPFS-CABCVRRESA-N 1 0 399.329 2.488 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000512869202 650555487 /nfs/dbraw/zinc/55/54/87/650555487.db2.gz OUTFDVHWFQGYNW-ZFWWWQNUSA-N 1 0 380.539 2.403 20 0 GEADRO COc1c(Br)cccc1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000512992765 650555801 /nfs/dbraw/zinc/55/58/01/650555801.db2.gz NEEAWMMNTSHVGV-CYBMUJFWSA-N 1 0 391.331 2.361 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1Br ZINC000513017220 650556795 /nfs/dbraw/zinc/55/67/95/650556795.db2.gz OAHJWKJGDBBLCA-ZDUSSCGKSA-N 1 0 391.331 2.361 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c(Cl)c1OC ZINC000513035011 650557044 /nfs/dbraw/zinc/55/70/44/650557044.db2.gz DKKSEJPZZZYKLZ-CYBMUJFWSA-N 1 0 376.906 2.261 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000513059272 650557269 /nfs/dbraw/zinc/55/72/69/650557269.db2.gz VOGRLCBHWWJBLU-CHWSQXEVSA-N 1 0 391.331 2.193 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000476720984 650557998 /nfs/dbraw/zinc/55/79/98/650557998.db2.gz SFRZJBDWBWZUBD-CYBMUJFWSA-N 1 0 385.917 2.227 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000476862141 650561365 /nfs/dbraw/zinc/56/13/65/650561365.db2.gz VBFPZHDILCTJKC-STQMWFEESA-N 1 0 387.293 2.434 20 0 GEADRO C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1CCN(CCO)CC1 ZINC000513531442 650564172 /nfs/dbraw/zinc/56/41/72/650564172.db2.gz VCUDGLLNORYWGW-UHFFFAOYSA-N 1 0 399.329 2.499 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000477100322 650568482 /nfs/dbraw/zinc/56/84/82/650568482.db2.gz NMYGZESWEDERRQ-ZIAGYGMSSA-N 1 0 398.345 2.343 20 0 GEADRO COc1ccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1I ZINC000477229088 650572374 /nfs/dbraw/zinc/57/23/74/650572374.db2.gz PAVQLPPPNOYGBO-NSHDSACASA-N 1 0 388.249 2.466 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000477100320 650568583 /nfs/dbraw/zinc/56/85/83/650568583.db2.gz NMYGZESWEDERRQ-KGLIPLIRSA-N 1 0 398.345 2.343 20 0 GEADRO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513887457 650571089 /nfs/dbraw/zinc/57/10/89/650571089.db2.gz FUPSLOYWRJDZOI-NSHDSACASA-N 1 0 394.324 2.145 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000477053700 650567361 /nfs/dbraw/zinc/56/73/61/650567361.db2.gz AOVLOTRHOHBIBF-CYBMUJFWSA-N 1 0 384.318 2.254 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCCSCC(C)C ZINC000477458830 650574201 /nfs/dbraw/zinc/57/42/01/650574201.db2.gz IEGQYWNHZIXAAA-UHFFFAOYSA-N 1 0 376.592 2.119 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CCc3cccs3)CC2)CC1 ZINC000477464329 650574511 /nfs/dbraw/zinc/57/45/11/650574511.db2.gz DKKGHQXMSJQYIQ-UHFFFAOYSA-N 1 0 385.599 2.111 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000514602862 650574983 /nfs/dbraw/zinc/57/49/83/650574983.db2.gz GQJAUKHXQDRDOT-CHWSQXEVSA-N 1 0 396.329 2.181 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(Br)s2)[C@@H](C)C1 ZINC000477847904 650580232 /nfs/dbraw/zinc/58/02/32/650580232.db2.gz JFHMREPDTFIYRX-RYUDHWBXSA-N 1 0 390.347 2.150 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000514858405 650581283 /nfs/dbraw/zinc/58/12/83/650581283.db2.gz XGIRDLWUYURKNP-CABCVRRESA-N 1 0 381.274 2.117 20 0 GEADRO CS(=O)(=O)CCCCCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000478314760 650584280 /nfs/dbraw/zinc/58/42/80/650584280.db2.gz NONOBJBCUPWFAJ-UHFFFAOYSA-N 1 0 384.567 2.180 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Br)cn1 ZINC000515027389 650584752 /nfs/dbraw/zinc/58/47/52/650584752.db2.gz XXRKSWRNNNPEPD-LLVKDONJSA-N 1 0 388.331 2.451 20 0 GEADRO CCS(=O)(=O)N(C)CCC[N@H+](C[C@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000515126099 650586845 /nfs/dbraw/zinc/58/68/45/650586845.db2.gz XANOIKQYJCSXCN-HDICACEKSA-N 1 0 376.563 2.098 20 0 GEADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cccc(O)c2Br)NC(=O)NC1=O ZINC000515042840 650585652 /nfs/dbraw/zinc/58/56/52/650585652.db2.gz YNRDWYRIGQUARW-BDJLRTHQSA-N 1 0 382.258 2.107 20 0 GEADRO CC(C)OC[C@H](O)C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000515637611 650593172 /nfs/dbraw/zinc/59/31/72/650593172.db2.gz BCVPIKRSRUILNM-OAHLLOKOSA-N 1 0 387.318 2.173 20 0 GEADRO C[C@H](CNC(=O)N(CCO)Cc1ccc(Br)s1)[N@H+](C)C1CC1 ZINC000478597652 650588286 /nfs/dbraw/zinc/58/82/86/650588286.db2.gz ZOKIFZOFQZJETF-LLVKDONJSA-N 1 0 390.347 2.497 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)C[C@H]3CCC[NH2+]3)C2=O)ccc1Br ZINC000515646026 650593300 /nfs/dbraw/zinc/59/33/00/650593300.db2.gz PXDOQFGOHMPZPB-IUODEOHRSA-N 1 0 380.286 2.121 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000478711421 650590457 /nfs/dbraw/zinc/59/04/57/650590457.db2.gz PHPKYUSPXBMUHM-MWLCHTKSSA-N 1 0 377.666 2.056 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000515310343 650591508 /nfs/dbraw/zinc/59/15/08/650591508.db2.gz QWXQVYFZJCQJNP-LLVKDONJSA-N 1 0 379.258 2.457 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000479030565 650594567 /nfs/dbraw/zinc/59/45/67/650594567.db2.gz CXNKIYZDJLLKPN-LBPRGKRZSA-N 1 0 396.285 2.139 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000479034156 650594783 /nfs/dbraw/zinc/59/47/83/650594783.db2.gz MHGNOTOTQGQBBA-CYBMUJFWSA-N 1 0 380.286 2.303 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)CN(C)C ZINC000479070973 650595454 /nfs/dbraw/zinc/59/54/54/650595454.db2.gz QVIPTNBROMNCNS-WFASDCNBSA-N 1 0 376.282 2.124 20 0 GEADRO O=C(CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccc(Br)cc1 ZINC000516261505 650596279 /nfs/dbraw/zinc/59/62/79/650596279.db2.gz KEVORGBSQGGTAT-QWHCGFSZSA-N 1 0 395.301 2.029 20 0 GEADRO CN(C)C(=O)COc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1Cl ZINC000479141477 650597310 /nfs/dbraw/zinc/59/73/10/650597310.db2.gz GTHMLODSWFBJIV-UHFFFAOYSA-N 1 0 382.873 2.017 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000516551444 650598707 /nfs/dbraw/zinc/59/87/07/650598707.db2.gz NXVJONUJUXKMTP-BDAKNGLRSA-N 1 0 388.212 2.019 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(F)cc2Br)C1 ZINC000479309530 650601043 /nfs/dbraw/zinc/60/10/43/650601043.db2.gz BYPIGBCUDQRZFW-AWEZNQCLSA-N 1 0 388.281 2.450 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479407990 650603023 /nfs/dbraw/zinc/60/30/23/650603023.db2.gz KHFBEONSHHOCAU-JRKPZEMJSA-N 1 0 394.324 2.206 20 0 GEADRO CSc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000479413669 650603070 /nfs/dbraw/zinc/60/30/70/650603070.db2.gz VPIVDTOWZARWDB-CRAIPNDOSA-N 1 0 383.583 2.055 20 0 GEADRO COCCOC[C@H](C)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479425592 650603386 /nfs/dbraw/zinc/60/33/86/650603386.db2.gz WZMKUYDSFJKPMQ-VHSXEESVSA-N 1 0 385.313 2.343 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479459734 650604118 /nfs/dbraw/zinc/60/41/18/650604118.db2.gz XBTOBHJKOWPKAB-CUOATXAZSA-N 1 0 397.324 2.485 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000518518895 650605586 /nfs/dbraw/zinc/60/55/86/650605586.db2.gz IJNQSVDAKWEVSR-AVVWSFFYSA-N 1 0 375.918 2.273 20 0 GEADRO C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)o1)C(C)(C)C[NH+](C)C ZINC000479752279 650609454 /nfs/dbraw/zinc/60/94/54/650609454.db2.gz JNPXPJORGIOXLC-NSHDSACASA-N 1 0 388.306 2.207 20 0 GEADRO CN(Cc1ccc(F)cc1Br)C(=O)NCCOCC[NH+](C)C ZINC000479774039 650609851 /nfs/dbraw/zinc/60/98/51/650609851.db2.gz LBENLOQRJQTSOR-UHFFFAOYSA-N 1 0 376.270 2.308 20 0 GEADRO CN(CC[NH+](C)C)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000480097308 650615727 /nfs/dbraw/zinc/61/57/27/650615727.db2.gz YDHYIOMWRYTJKC-UHFFFAOYSA-N 1 0 380.539 2.139 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2cccc(I)c2)CCSC1 ZINC000480274494 650618779 /nfs/dbraw/zinc/61/87/79/650618779.db2.gz NZGMLDLBKMAXES-CQSZACIVSA-N 1 0 390.290 2.458 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000480427646 650621666 /nfs/dbraw/zinc/62/16/66/650621666.db2.gz RUBGHVFDXQQGBD-DGCLKSJQSA-N 1 0 382.452 2.023 20 0 GEADRO Cn1ccc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)n1 ZINC000480659681 650626984 /nfs/dbraw/zinc/62/69/84/650626984.db2.gz DKXIWXMEJWJLJC-AWEZNQCLSA-N 1 0 384.299 2.233 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1Br ZINC000480678595 650627773 /nfs/dbraw/zinc/62/77/73/650627773.db2.gz HZCKVJOKZKHLRA-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1SC ZINC000522773184 650627831 /nfs/dbraw/zinc/62/78/31/650627831.db2.gz SUFVFPPHZPDXLQ-ZDUSSCGKSA-N 1 0 385.917 2.227 20 0 GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000480710639 650628977 /nfs/dbraw/zinc/62/89/77/650628977.db2.gz PIGQJRBTXFECCC-JTQLQIEISA-N 1 0 379.885 2.446 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000480721011 650629302 /nfs/dbraw/zinc/62/93/02/650629302.db2.gz UOVAELCTIQDMLV-KGLIPLIRSA-N 1 0 382.473 2.458 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Br)c1 ZINC000480808837 650633078 /nfs/dbraw/zinc/63/30/78/650633078.db2.gz DFYDTMILVLDBBN-QWRGUYRKSA-N 1 0 389.315 2.361 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000523646381 650636704 /nfs/dbraw/zinc/63/67/04/650636704.db2.gz FVRWQVNYXFRGFG-LBPRGKRZSA-N 1 0 385.306 2.335 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000480889577 650636921 /nfs/dbraw/zinc/63/69/21/650636921.db2.gz PCMVXFKYFGGNIW-UHFFFAOYSA-N 1 0 391.331 2.420 20 0 GEADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000480925099 650638034 /nfs/dbraw/zinc/63/80/34/650638034.db2.gz IEKOJRLVBBJUEQ-UHFFFAOYSA-N 1 0 377.491 2.194 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000523736642 650638064 /nfs/dbraw/zinc/63/80/64/650638064.db2.gz OWHVIHPMHGTYQJ-CYBMUJFWSA-N 1 0 377.913 2.429 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c(Br)c1 ZINC000524375501 650640710 /nfs/dbraw/zinc/64/07/10/650640710.db2.gz OAKFLFPOQPWPEP-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCc2cccc(Br)c2)C1 ZINC000524420053 650641638 /nfs/dbraw/zinc/64/16/38/650641638.db2.gz NYBNYDXZNVTLDW-HNNXBMFYSA-N 1 0 396.329 2.085 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)CCCOc2ccccc2Br)C1 ZINC000524608695 650643998 /nfs/dbraw/zinc/64/39/98/650643998.db2.gz LTEJMFNOJCNHAG-AWEZNQCLSA-N 1 0 385.302 2.445 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000524776354 650646229 /nfs/dbraw/zinc/64/62/29/650646229.db2.gz VFQKLJFLVUYVHP-KGLIPLIRSA-N 1 0 394.313 2.260 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000525293198 650653107 /nfs/dbraw/zinc/65/31/07/650653107.db2.gz CRQNQWPQICCLNH-CJNGLKHVSA-N 1 0 394.313 2.260 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[NH+]1CCCC1 ZINC000525268536 650652693 /nfs/dbraw/zinc/65/26/93/650652693.db2.gz LIOINFVXEIYXDA-VIFPVBQESA-N 1 0 390.228 2.266 20 0 GEADRO CC[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481927873 650656611 /nfs/dbraw/zinc/65/66/11/650656611.db2.gz SMPPCBXHBHASMA-BBRMVZONSA-N 1 0 389.949 2.010 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1Br ZINC000525820155 650658125 /nfs/dbraw/zinc/65/81/25/650658125.db2.gz XEGBDFITUSZXLW-LLVKDONJSA-N 1 0 377.304 2.078 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000526126813 650663806 /nfs/dbraw/zinc/66/38/06/650663806.db2.gz SQEVAZCFEZMPKO-UHFFFAOYSA-N 1 0 382.917 2.205 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccnc(C)c1Br ZINC000527087110 650668663 /nfs/dbraw/zinc/66/86/63/650668663.db2.gz ONFJVTYDSYBLOA-UHFFFAOYSA-N 1 0 387.322 2.397 20 0 GEADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527062854 650667490 /nfs/dbraw/zinc/66/74/90/650667490.db2.gz SUKMVCCBCANGPV-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO Cc1nccc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000527339052 650673995 /nfs/dbraw/zinc/67/39/95/650673995.db2.gz LPGPRULRPZUZBC-ZDUSSCGKSA-N 1 0 385.306 2.053 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CCSC1 ZINC000483954499 650683704 /nfs/dbraw/zinc/68/37/04/650683704.db2.gz KZQCXMORURJCGN-INIZCTEOSA-N 1 0 396.563 2.364 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1ccc(Br)cc1F ZINC000527753056 650682051 /nfs/dbraw/zinc/68/20/51/650682051.db2.gz JOYFEMGJXNSIFK-KRWDZBQOSA-N 1 0 387.293 2.294 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cc(Br)ccc1F ZINC000527756266 650682462 /nfs/dbraw/zinc/68/24/62/650682462.db2.gz YUFULNFATMZEEI-KRWDZBQOSA-N 1 0 387.293 2.294 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000483896255 650682775 /nfs/dbraw/zinc/68/27/75/650682775.db2.gz KAPRUPKMATZWNX-SECBINFHSA-N 1 0 386.677 2.394 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1c(F)ccc(C)c1Br)C1CC1 ZINC000483928751 650683092 /nfs/dbraw/zinc/68/30/92/650683092.db2.gz FGPVQBZICYPZDJ-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO CS[C@H]1CN(CC(=O)Nc2nnc(CC(C)C)s2)C[C@H]1[NH+]1CCCC1 ZINC000484614750 650687774 /nfs/dbraw/zinc/68/77/74/650687774.db2.gz GYYYHSPQXODQGV-KGLIPLIRSA-N 1 0 383.587 2.187 20 0 GEADRO CS[C@@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484631636 650688074 /nfs/dbraw/zinc/68/80/74/650688074.db2.gz ZZFQGWVPDDIEGI-ARFHVFGLSA-N 1 0 398.370 2.487 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000484636439 650688130 /nfs/dbraw/zinc/68/81/30/650688130.db2.gz GRMZHMJWVJULFE-HZPDHXFCSA-N 1 0 385.302 2.191 20 0 GEADRO CS[C@@H]1CN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@H]1[NH+]1CCCC1 ZINC000484644074 650688475 /nfs/dbraw/zinc/68/84/75/650688475.db2.gz UIHFTKSEOHTWLI-RRFJBIMHSA-N 1 0 379.492 2.299 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000528312251 650688642 /nfs/dbraw/zinc/68/86/42/650688642.db2.gz ZZUAQKIISMRYSM-LLVKDONJSA-N 1 0 382.452 2.228 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000484653532 650688703 /nfs/dbraw/zinc/68/87/03/650688703.db2.gz WODOZXBFGIYGMJ-APHBMKBZSA-N 1 0 385.302 2.410 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)cc2OC)C[C@@H]1C ZINC000484753470 650690032 /nfs/dbraw/zinc/69/00/32/650690032.db2.gz OUYFPJSCRHVIMF-NWDGAFQWSA-N 1 0 390.527 2.037 20 0 GEADRO C[C@@]1(Br)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000528036803 650684580 /nfs/dbraw/zinc/68/45/80/650684580.db2.gz XVHMQFUPRHTTNP-MAUKXSAKSA-N 1 0 394.313 2.496 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000484135157 650685462 /nfs/dbraw/zinc/68/54/62/650685462.db2.gz FPKWYGAHRLDPRF-NWDGAFQWSA-N 1 0 383.290 2.156 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000528685381 650697819 /nfs/dbraw/zinc/69/78/19/650697819.db2.gz CIGKHXPAQPJTKP-SECBINFHSA-N 1 0 398.179 2.458 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2sc3ncccc3c2Cl)C1 ZINC000528368748 650691293 /nfs/dbraw/zinc/69/12/93/650691293.db2.gz WCNQOIFQCIZICA-NSHDSACASA-N 1 0 380.901 2.267 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000528686440 650697913 /nfs/dbraw/zinc/69/79/13/650697913.db2.gz NCIZUJPPKILUBE-MRVPVSSYSA-N 1 0 398.179 2.458 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000485008396 650692075 /nfs/dbraw/zinc/69/20/75/650692075.db2.gz MBYCWRIJAQSCNN-CYBMUJFWSA-N 1 0 386.290 2.378 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000528416720 650692976 /nfs/dbraw/zinc/69/29/76/650692976.db2.gz IRADWKVRSMFZBL-NSHDSACASA-N 1 0 382.404 2.309 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000485151166 650693547 /nfs/dbraw/zinc/69/35/47/650693547.db2.gz SLIGRRLNWQVIBH-CMPLNLGQSA-N 1 0 380.901 2.165 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485619539 650698257 /nfs/dbraw/zinc/69/82/57/650698257.db2.gz KOSLQKCWRHXBGS-GFCCVEGCSA-N 1 0 394.313 2.105 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CCN2C2CCCC2)s1 ZINC000528554367 650696663 /nfs/dbraw/zinc/69/66/63/650696663.db2.gz UGJMLUHTQIMEHW-DOMZBBRYSA-N 1 0 385.555 2.240 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@H]2CCN2C2CCCC2)s1 ZINC000528554379 650696666 /nfs/dbraw/zinc/69/66/66/650696666.db2.gz UGJMLUHTQIMEHW-SWLSCSKDSA-N 1 0 385.555 2.240 20 0 GEADRO C[C@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1cc(F)c(Br)cc1F ZINC000528631963 650696851 /nfs/dbraw/zinc/69/68/51/650696851.db2.gz AVKOCNZRYVLBCD-YUMQZZPRSA-N 1 0 376.201 2.318 20 0 GEADRO OC[C@]1([NH2+]C[C@@H](O)c2ccccc2Br)COc2ccccc2C1 ZINC000528652941 650697235 /nfs/dbraw/zinc/69/72/35/650697235.db2.gz RHGROVSDURRJIP-AEFFLSMTSA-N 1 0 378.266 2.438 20 0 GEADRO [NH3+]CC1(NC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CCOCC1 ZINC000528683759 650697651 /nfs/dbraw/zinc/69/76/51/650697651.db2.gz OMKCPUMNLLOLND-UHFFFAOYSA-N 1 0 385.255 2.204 20 0 GEADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000485695062 650699155 /nfs/dbraw/zinc/69/91/55/650699155.db2.gz KGHPRZOLYSNGQJ-CJNGLKHVSA-N 1 0 390.274 2.073 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000485721650 650699415 /nfs/dbraw/zinc/69/94/15/650699415.db2.gz AXKWTOYNLQTBEF-JKSUJKDBSA-N 1 0 386.286 2.294 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000485724610 650699933 /nfs/dbraw/zinc/69/99/33/650699933.db2.gz ZMDYIQGNCYXDQZ-ZFWWWQNUSA-N 1 0 388.258 2.088 20 0 GEADRO CC[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1cc(F)cc(Br)c1 ZINC000485807255 650700784 /nfs/dbraw/zinc/70/07/84/650700784.db2.gz RFARFSJXJSJYIO-HOTGVXAUSA-N 1 0 375.282 2.322 20 0 GEADRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000485819253 650701093 /nfs/dbraw/zinc/70/10/93/650701093.db2.gz WUIAUSASKCQVNL-LBPRGKRZSA-N 1 0 379.917 2.160 20 0 GEADRO CC[C@H]([NH2+]CCC(=O)NCC(=O)OC)c1cc(F)cc(Br)c1 ZINC000485849366 650701340 /nfs/dbraw/zinc/70/13/40/650701340.db2.gz MMSGPSATXPNNNA-ZDUSSCGKSA-N 1 0 375.238 2.308 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000529299347 650702510 /nfs/dbraw/zinc/70/25/10/650702510.db2.gz MSBRARLHMNKXFD-CQSZACIVSA-N 1 0 398.301 2.360 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529299810 650702622 /nfs/dbraw/zinc/70/26/22/650702622.db2.gz NTYOOHBYAFUEKY-CQSZACIVSA-N 1 0 396.285 2.304 20 0 GEADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)NC[C@@H]1COCC[NH2+]1 ZINC000529318060 650702688 /nfs/dbraw/zinc/70/26/88/650702688.db2.gz VAORQKCUKKHQST-SNVBAGLBSA-N 1 0 384.210 2.382 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529323016 650702724 /nfs/dbraw/zinc/70/27/24/650702724.db2.gz CFLBNBXXXZYINE-NHYWBVRUSA-N 1 0 382.302 2.360 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)nc12 ZINC000529324490 650702870 /nfs/dbraw/zinc/70/28/70/650702870.db2.gz NOMGAFPYOCVEMM-AWEZNQCLSA-N 1 0 392.301 2.489 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1cc(F)c(Br)cc1F ZINC000529345297 650703199 /nfs/dbraw/zinc/70/31/99/650703199.db2.gz UYAQOOHEULSVGE-NXEZZACHSA-N 1 0 392.244 2.466 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccc(Br)cc2O)CC1 ZINC000529909347 650709334 /nfs/dbraw/zinc/70/93/34/650709334.db2.gz JJWIHVSVHHUCRJ-UHFFFAOYSA-N 1 0 397.313 2.411 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000486294870 650711214 /nfs/dbraw/zinc/71/12/14/650711214.db2.gz RPYOMHRBDOYOPI-ZFWWWQNUSA-N 1 0 396.329 2.112 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2COCCN2)cc(Br)c1OC(F)F ZINC000530181939 650717273 /nfs/dbraw/zinc/71/72/73/650717273.db2.gz QPMZZDNMKMLCGO-JTQLQIEISA-N 1 0 381.217 2.137 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000486655934 650717895 /nfs/dbraw/zinc/71/78/95/650717895.db2.gz JQSBCYAYBLHWLF-BBRMVZONSA-N 1 0 396.329 2.100 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000530228538 650718951 /nfs/dbraw/zinc/71/89/51/650718951.db2.gz AOCCFNIKYSSVTD-OAHLLOKOSA-N 1 0 375.332 2.153 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530244249 650719437 /nfs/dbraw/zinc/71/94/37/650719437.db2.gz ZXBGZNBAQBNNHT-DLBZAZTESA-N 1 0 396.329 2.066 20 0 GEADRO CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000486806298 650722765 /nfs/dbraw/zinc/72/27/65/650722765.db2.gz XMXCSSQGOGCBMG-AWEZNQCLSA-N 1 0 394.313 2.356 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000530651586 650729254 /nfs/dbraw/zinc/72/92/54/650729254.db2.gz AKIUPVZNSAOBRM-CYBMUJFWSA-N 1 0 384.445 2.301 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000530391111 650724700 /nfs/dbraw/zinc/72/47/00/650724700.db2.gz XWSOPGMDYAACBW-SNVBAGLBSA-N 1 0 386.265 2.293 20 0 GEADRO COc1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)ccc1Br ZINC000530616283 650727728 /nfs/dbraw/zinc/72/77/28/650727728.db2.gz XKUGFJVXBDSXMI-LLVKDONJSA-N 1 0 377.304 2.078 20 0 GEADRO COc1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1Br ZINC000530616284 650727832 /nfs/dbraw/zinc/72/78/32/650727832.db2.gz XKUGFJVXBDSXMI-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000487528582 650735175 /nfs/dbraw/zinc/73/51/75/650735175.db2.gz UOPHQAFWIXLKIP-CZUORRHYSA-N 1 0 398.320 2.430 20 0 GEADRO COc1cc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)ccc1SC ZINC000531721856 650743517 /nfs/dbraw/zinc/74/35/17/650743517.db2.gz JHJKWWCRQVUNLI-LBPRGKRZSA-N 1 0 385.511 2.175 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CCSC1 ZINC000531366817 650737442 /nfs/dbraw/zinc/73/74/42/650737442.db2.gz KNLIKRLFONHDCM-ROUUACIJSA-N 1 0 377.535 2.169 20 0 GEADRO C[NH+](C)CCCNC(=S)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000008084028 642348561 /nfs/dbraw/zinc/34/85/61/642348561.db2.gz XIXJNKNGIOAIRK-UHFFFAOYSA-N 1 0 379.555 2.371 20 0 GEADRO CC[NH+](CC)CCN(C(=S)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000011047068 642365905 /nfs/dbraw/zinc/36/59/05/642365905.db2.gz USYDCNMYHJUGFU-MRXNPFEDSA-N 1 0 387.546 2.353 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CS[C@@H](C(C)C)C2)c1 ZINC000488424105 650746108 /nfs/dbraw/zinc/74/61/08/650746108.db2.gz CGBUGYAPUUSRRC-JGGQBBKZSA-N 1 0 385.555 2.041 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532432612 650747421 /nfs/dbraw/zinc/74/74/21/650747421.db2.gz UUZZPRVHTYEMCL-GFCCVEGCSA-N 1 0 382.302 2.408 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CCn1cnc2sccc2c1=O)c1cccs1 ZINC000025385728 642422107 /nfs/dbraw/zinc/42/21/07/642422107.db2.gz NYJCAHCWFPFVNO-ZDUSSCGKSA-N 1 0 376.507 2.329 20 0 GEADRO O=C1C(=O)N(CN2CC[NH+](C3CCCC3)CC2)c2cccc(Br)c21 ZINC000026628675 642436281 /nfs/dbraw/zinc/43/62/81/642436281.db2.gz HMBJESJJUZSHLM-UHFFFAOYSA-N 1 0 392.297 2.496 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000027746871 642442162 /nfs/dbraw/zinc/44/21/62/642442162.db2.gz IASKWXVHSDYXKU-CYBMUJFWSA-N 1 0 387.933 2.195 20 0 GEADRO O=C(COC(=O)c1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000028131983 642445716 /nfs/dbraw/zinc/44/57/16/642445716.db2.gz LDKANIIETQDABF-UHFFFAOYSA-N 1 0 381.270 2.349 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000489175362 650755526 /nfs/dbraw/zinc/75/55/26/650755526.db2.gz CESBGZUFIDWTAC-UHFFFAOYSA-N 1 0 396.329 2.068 20 0 GEADRO O=c1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)nc2ccc(Br)cn12 ZINC000533086835 650756689 /nfs/dbraw/zinc/75/66/89/650756689.db2.gz BKFQLZSDRSBQRG-STQMWFEESA-N 1 0 378.270 2.315 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2sccc2Br)[C@H](C)C1 ZINC000489290785 650757138 /nfs/dbraw/zinc/75/71/38/650757138.db2.gz QPWIAGIPPJNPPE-MNOVXSKESA-N 1 0 376.320 2.107 20 0 GEADRO C[C@]12CCC(=O)N1[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)CS2 ZINC000032762575 642498284 /nfs/dbraw/zinc/49/82/84/642498284.db2.gz BYPWOBAWEIOELC-LBTNJELSSA-N 1 0 379.551 2.455 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1cccc(F)c1I ZINC000532755718 650752735 /nfs/dbraw/zinc/75/27/35/650752735.db2.gz UZZQVUXJQGBOIU-UHFFFAOYSA-N 1 0 394.228 2.128 20 0 GEADRO COc1cc(C[NH2+]C2CCS(=O)(=O)CC2)cc(Br)c1OC ZINC000036815658 642510904 /nfs/dbraw/zinc/51/09/04/642510904.db2.gz IPJNLIAPZSHOOX-UHFFFAOYSA-N 1 0 378.288 2.133 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000037382551 642513183 /nfs/dbraw/zinc/51/31/83/642513183.db2.gz VJZJPRRNDWCAGV-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[NH+]1CCCCC1 ZINC000040653159 642524234 /nfs/dbraw/zinc/52/42/34/642524234.db2.gz VIRZNXMZSBSXQR-CYBMUJFWSA-N 1 0 387.933 2.195 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066309 642524602 /nfs/dbraw/zinc/52/46/02/642524602.db2.gz QWCGJBVJNFDWHB-SNVBAGLBSA-N 1 0 382.711 2.260 20 0 GEADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cc(Br)cnc1Cl ZINC000041065823 642524914 /nfs/dbraw/zinc/52/49/14/642524914.db2.gz GSHHDPPWFZBXLR-UHFFFAOYSA-N 1 0 394.722 2.403 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(Br)c2)C[C@@H](C)O1 ZINC000041275468 642528073 /nfs/dbraw/zinc/52/80/73/642528073.db2.gz OVJLPNAVMBSBHV-CHWSQXEVSA-N 1 0 398.301 2.003 20 0 GEADRO C[NH+](C)CCNC(=S)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000041746454 642532186 /nfs/dbraw/zinc/53/21/86/642532186.db2.gz AADBSCPTQPTLIO-UHFFFAOYSA-N 1 0 389.352 2.187 20 0 GEADRO C[C@H]1C[C@@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000533311229 650760112 /nfs/dbraw/zinc/76/01/12/650760112.db2.gz MLMYRZAHKBLIBZ-WFASDCNBSA-N 1 0 379.302 2.372 20 0 GEADRO C[NH+](C)CCOc1ccccc1N1CCN(Cc2nnsc2Cl)CC1 ZINC000533396102 650760540 /nfs/dbraw/zinc/76/05/40/650760540.db2.gz MRRAWUUCMRYQLO-UHFFFAOYSA-N 1 0 381.933 2.454 20 0 GEADRO C[NH+](C)C1(CNC(=O)NNC(=O)c2ccccc2Br)CCCC1 ZINC000043147678 642558529 /nfs/dbraw/zinc/55/85/29/642558529.db2.gz ORZGXYWXBJPXHB-UHFFFAOYSA-N 1 0 383.290 2.268 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccccc1Br)C[C@@H]1CCS(=O)(=O)C1 ZINC000533430914 650761310 /nfs/dbraw/zinc/76/13/10/650761310.db2.gz GAYSKBIOGVNPMU-LBPRGKRZSA-N 1 0 389.315 2.144 20 0 GEADRO CCOc1ccc(NC(=S)NNC(=S)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000043562750 642562308 /nfs/dbraw/zinc/56/23/08/642562308.db2.gz RYLAQEGAPVEVMG-AWEZNQCLSA-N 1 0 381.571 2.235 20 0 GEADRO C[NH+]1CCN(CCNC(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000044023170 642567651 /nfs/dbraw/zinc/56/76/51/642567651.db2.gz NBPRXFVUJJVSIA-UHFFFAOYSA-N 1 0 380.330 2.234 20 0 GEADRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(I)cc1 ZINC000489703450 650762093 /nfs/dbraw/zinc/76/20/93/650762093.db2.gz MYJTWDHEXLSBAM-UHFFFAOYSA-N 1 0 396.294 2.301 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cncc(Br)c1)C[NH+]1CCCCC1 ZINC000044257150 642571889 /nfs/dbraw/zinc/57/18/89/642571889.db2.gz MVMUBVVEHPTPOJ-LBPRGKRZSA-N 1 0 376.320 2.244 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000045059090 642588271 /nfs/dbraw/zinc/58/82/71/642588271.db2.gz JQNMTKQWDMYCAV-CQSZACIVSA-N 1 0 394.313 2.404 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000045059267 642588436 /nfs/dbraw/zinc/58/84/36/642588436.db2.gz HHIKCJXZVSEIMS-AWEZNQCLSA-N 1 0 394.313 2.403 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC000046035103 642601807 /nfs/dbraw/zinc/60/18/07/642601807.db2.gz GXTLHABHTSSBMH-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046036427 642602461 /nfs/dbraw/zinc/60/24/61/642602461.db2.gz SCFKQAXWPRMDGP-QWHCGFSZSA-N 1 0 389.315 2.363 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cccc(I)c3)[C@H]2C1 ZINC000490221631 650770115 /nfs/dbraw/zinc/77/01/15/650770115.db2.gz KWWYMPXVBNFTRJ-ZFWWWQNUSA-N 1 0 384.261 2.386 20 0 GEADRO O=C(Nc1ccc2cccc(Br)c2n1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000490395627 650771594 /nfs/dbraw/zinc/77/15/94/650771594.db2.gz BMGYTGNTGDBNOR-CQSZACIVSA-N 1 0 375.270 2.326 20 0 GEADRO C[NH+](C)CCNC(=S)Nc1cc(Br)ccc1N1CCOCC1 ZINC000047982532 642643116 /nfs/dbraw/zinc/64/31/16/642643116.db2.gz OIMAZIQIYGASHK-UHFFFAOYSA-N 1 0 387.347 2.134 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000534059747 650768809 /nfs/dbraw/zinc/76/88/09/650768809.db2.gz SLCNTJHJKTVNJC-INIZCTEOSA-N 1 0 384.293 2.329 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000490583282 650776613 /nfs/dbraw/zinc/77/66/13/650776613.db2.gz IWUCJCWCBKRBLD-NVXWUHKLSA-N 1 0 380.330 2.276 20 0 GEADRO Cc1cccc(C(=O)NCCNc2cc[nH+]cc2)c1I ZINC000534521443 650776909 /nfs/dbraw/zinc/77/69/09/650776909.db2.gz FFBYJKQEVWONKD-UHFFFAOYSA-N 1 0 381.217 2.258 20 0 GEADRO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000534585080 650778055 /nfs/dbraw/zinc/77/80/55/650778055.db2.gz CHNFQKAQXYHNAF-CABCVRRESA-N 1 0 383.945 2.481 20 0 GEADRO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000534585081 650778185 /nfs/dbraw/zinc/77/81/85/650778185.db2.gz CHNFQKAQXYHNAF-GJZGRUSLSA-N 1 0 383.945 2.481 20 0 GEADRO C[N@H+](CCCOc1ccc(Cl)cc1)CC(=O)NC(=O)NCC(F)(F)F ZINC000052450901 642719272 /nfs/dbraw/zinc/71/92/72/642719272.db2.gz YGSCPFGVVOZBED-UHFFFAOYSA-N 1 0 381.782 2.429 20 0 GEADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000534755302 650780642 /nfs/dbraw/zinc/78/06/42/650780642.db2.gz ZMAFVCNOICOPFL-LRDDRELGSA-N 1 0 384.274 2.494 20 0 GEADRO COC(=O)C[C@@H](NC(=O)NCCC[NH+](C)C)c1cccc(Br)c1 ZINC000054819649 642761139 /nfs/dbraw/zinc/76/11/39/642761139.db2.gz UESXNTZUAQVDPW-CQSZACIVSA-N 1 0 386.290 2.304 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)C1CC1 ZINC000055719060 642780841 /nfs/dbraw/zinc/78/08/41/642780841.db2.gz VGBBHELVQAZAPE-AWEZNQCLSA-N 1 0 383.286 2.219 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000491292841 650785031 /nfs/dbraw/zinc/78/50/31/650785031.db2.gz BGEJUOYJKZLINX-UHFFFAOYSA-N 1 0 382.302 2.185 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(C(=O)CCn3cc(Br)ccc3=O)C2)CC1 ZINC000535142963 650785643 /nfs/dbraw/zinc/78/56/43/650785643.db2.gz MLELBDPGLRCISI-OAHLLOKOSA-N 1 0 396.329 2.191 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H]1C[C@]1(C)Br ZINC000895877253 653854251 /nfs/dbraw/zinc/85/42/51/653854251.db2.gz AMKDVQZOZFBAEY-XCBNKYQSSA-N 1 0 384.059 2.288 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000062503676 642848550 /nfs/dbraw/zinc/84/85/50/642848550.db2.gz CIIGYADHKBIYLH-LBPRGKRZSA-N 1 0 385.306 2.335 20 0 GEADRO CC(C)(C[NH3+])NS(=O)(=O)c1cc(Br)ccc1Br ZINC000063020562 642851424 /nfs/dbraw/zinc/85/14/24/642851424.db2.gz HLBNHVOHLSLFNN-UHFFFAOYSA-N 1 0 386.109 2.227 20 0 GEADRO COc1cc(C[NH2+]CCn2ccnc2)cc(I)c1OC ZINC000063312892 642856978 /nfs/dbraw/zinc/85/69/78/642856978.db2.gz FTQFXFURLPZZNR-UHFFFAOYSA-N 1 0 387.221 2.295 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1csc(I)c1 ZINC000535835877 650791352 /nfs/dbraw/zinc/79/13/52/650791352.db2.gz TVMJESMAZZPDMA-LLVKDONJSA-N 1 0 396.294 2.175 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(OC)c(Br)c2)C1 ZINC000063850855 642863801 /nfs/dbraw/zinc/86/38/01/642863801.db2.gz YTJLBTNWHBGGGC-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000493206861 650793235 /nfs/dbraw/zinc/79/32/35/650793235.db2.gz BXFIRKNIVNNYSD-UHFFFAOYSA-N 1 0 396.329 2.094 20 0 GEADRO C[NH+](C)CCCNC(=S)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000065705399 642885515 /nfs/dbraw/zinc/88/55/15/642885515.db2.gz RSDHDQQJJULWEL-QGZVFWFLSA-N 1 0 384.977 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C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000070174322 643049755 /nfs/dbraw/zinc/04/97/55/643049755.db2.gz SWAOQSBAJVLMFY-NEPJUHHUSA-N 1 0 387.265 2.289 20 0 GEADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)nc1 ZINC000536995571 650809360 /nfs/dbraw/zinc/80/93/60/650809360.db2.gz UNSCZQKSMBNZNE-BPUTZDHNSA-N 1 0 386.587 2.030 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C1 ZINC000070450690 643050989 /nfs/dbraw/zinc/05/09/89/643050989.db2.gz XKOXNYOHVXWJAQ-IUODEOHRSA-N 1 0 379.448 2.440 20 0 GEADRO C[N@H+](CCNC(=O)CNC(=O)c1ccc(Br)o1)C1CCCCC1 ZINC000070827910 643054555 /nfs/dbraw/zinc/05/45/55/643054555.db2.gz XBEMFEPRWPNIKC-UHFFFAOYSA-N 1 0 386.290 2.153 20 0 GEADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000071310264 643059806 /nfs/dbraw/zinc/05/98/06/643059806.db2.gz RWTXLHCIYPOBMZ-VIFPVBQESA-N 1 0 398.120 2.194 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)NCCS(=O)(=O)C(C)(C)C)CC1 ZINC000080156279 643063857 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COc1ccc(Br)c(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000093821090 643080613 /nfs/dbraw/zinc/08/06/13/643080613.db2.gz CJPWWAHUKXUDKY-QGZVFWFLSA-N 1 0 396.329 2.196 20 0 GEADRO C[N@@H+]1CCCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000097254871 643095974 /nfs/dbraw/zinc/09/59/74/643095974.db2.gz PSUIKAMZJLAGGX-UHFFFAOYSA-N 1 0 378.523 2.092 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[N@H+](C)CC1 ZINC000097617163 643097239 /nfs/dbraw/zinc/09/72/39/643097239.db2.gz AXXMNVHHWZAOLZ-MRXNPFEDSA-N 1 0 383.945 2.356 20 0 GEADRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000494633292 650813320 /nfs/dbraw/zinc/81/33/20/650813320.db2.gz GGXKYDQLIRSBNE-MRXNPFEDSA-N 1 0 379.551 2.085 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1nc2ncc(Br)cn2n1 ZINC000098035874 643099937 /nfs/dbraw/zinc/09/99/37/643099937.db2.gz YGZRYLITMNMZSX-UHFFFAOYSA-N 1 0 397.321 2.327 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000494685177 650814493 /nfs/dbraw/zinc/81/44/93/650814493.db2.gz IRTNCVVCLQLJGL-AWEZNQCLSA-N 1 0 380.432 2.488 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@H+](C)C(C)C)c1 ZINC000101955556 643119287 /nfs/dbraw/zinc/11/92/87/643119287.db2.gz VGRCKCCKPKRARM-UHFFFAOYSA-N 1 0 389.949 2.441 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000101974766 643119853 /nfs/dbraw/zinc/11/98/53/643119853.db2.gz KOLRNOROUKOAKX-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO CC(=O)N[C@H](CC(=O)NCC[N@@H+](C)C(C)C)c1ccc(Br)cc1 ZINC000101961636 643120122 /nfs/dbraw/zinc/12/01/22/643120122.db2.gz RGCLIYVBDOTDNZ-MRXNPFEDSA-N 1 0 384.318 2.473 20 0 GEADRO CC[N@H+](CCNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1)C1CC1 ZINC000102014650 643120932 /nfs/dbraw/zinc/12/09/32/643120932.db2.gz FFPZCDMHOMZJHP-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000102565807 643129277 /nfs/dbraw/zinc/12/92/77/643129277.db2.gz DUORUHYPMVKPML-UHFFFAOYSA-N 1 0 399.333 2.208 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000103117160 643153835 /nfs/dbraw/zinc/15/38/35/643153835.db2.gz CTRRRRVNJVZLFJ-AWEZNQCLSA-N 1 0 394.313 2.356 20 0 GEADRO C[C@H](NC(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C)c1ccc(Br)cc1 ZINC000103286083 643160942 /nfs/dbraw/zinc/16/09/42/643160942.db2.gz AUENUJAWVWPLAS-OBJOEFQTSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c(Br)c1 ZINC000103633269 643171791 /nfs/dbraw/zinc/17/17/91/643171791.db2.gz IEEAELYMZABTGF-UHFFFAOYSA-N 1 0 382.302 2.496 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000104188560 643179667 /nfs/dbraw/zinc/17/96/67/643179667.db2.gz UKDHCPNOFDDGIJ-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO CC[N@H+](CCNC(=O)N(CCO)Cc1cc(Br)cs1)C1CC1 ZINC000494957625 650819819 /nfs/dbraw/zinc/81/98/19/650819819.db2.gz UXGXUIUTQUVQTO-UHFFFAOYSA-N 1 0 390.347 2.499 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1Br ZINC000105212909 643201256 /nfs/dbraw/zinc/20/12/56/643201256.db2.gz DSAUCOBFQNCIQS-GFCCVEGCSA-N 1 0 397.317 2.478 20 0 GEADRO CNC(=O)Cc1noc(C[NH2+]C(C)(C)Cc2ccc(Br)cc2)n1 ZINC000495021983 650821218 /nfs/dbraw/zinc/82/12/18/650821218.db2.gz WRLFJRHHJXEUMS-UHFFFAOYSA-N 1 0 381.274 2.232 20 0 GEADRO C[NH+]1CCC(NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000105570093 643210248 /nfs/dbraw/zinc/21/02/48/643210248.db2.gz ARRMLJGCPBXHRR-UHFFFAOYSA-N 1 0 393.289 2.128 20 0 GEADRO CC[C@H]1CN(CC(=O)Nc2ccc(C)cc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000106103997 643221424 /nfs/dbraw/zinc/22/14/24/643221424.db2.gz PFRIHYLEBLOBFW-CABCVRRESA-N 1 0 398.345 2.473 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1Cl)c1cccs1 ZINC000537732671 650822748 /nfs/dbraw/zinc/82/27/48/650822748.db2.gz UVSBTTTUTKFISK-ZDUSSCGKSA-N 1 0 387.914 2.082 20 0 GEADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000495066661 650822773 /nfs/dbraw/zinc/82/27/73/650822773.db2.gz MJUKPRLBWJMEPA-AWEZNQCLSA-N 1 0 382.302 2.216 20 0 GEADRO O=C(CCc1ncc(-c2ccccc2Br)o1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495133002 650822885 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CC[C@@H](C)NC(=[NH2+])NCCCNC(=O)c1cc(OC)ccc1Br ZINC000171771480 644332571 /nfs/dbraw/zinc/33/25/71/644332571.db2.gz QXEWEDHKHFBDJX-LLVKDONJSA-N 1 0 385.306 2.280 20 0 GEADRO CC(C)(C)n1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 ZINC000171966220 644334860 /nfs/dbraw/zinc/33/48/60/644334860.db2.gz FXEIAHKYNWPEAR-UHFFFAOYSA-N 1 0 382.452 2.289 20 0 GEADRO COCC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000172807128 644344732 /nfs/dbraw/zinc/34/47/32/644344732.db2.gz HYYZTGFZEPNURA-CYBMUJFWSA-N 1 0 384.318 2.477 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000173490435 644358765 /nfs/dbraw/zinc/35/87/65/644358765.db2.gz IXFWCXYDHQARCN-LBPRGKRZSA-N 1 0 380.286 2.210 20 0 GEADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1cc3c(cc1Br)OCCO3)C2 ZINC000174063903 644367134 /nfs/dbraw/zinc/36/71/34/644367134.db2.gz PKJFGKOHYPRONA-UONOGXRCSA-N 1 0 395.297 2.458 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CSC(=O)N1 ZINC000174354362 644373100 /nfs/dbraw/zinc/37/31/00/644373100.db2.gz DXMKKVYWKNIZKZ-ZDUSSCGKSA-N 1 0 375.416 2.421 20 0 GEADRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000543619521 650915758 /nfs/dbraw/zinc/91/57/58/650915758.db2.gz CFESHDRBVJTLHG-MRXNPFEDSA-N 1 0 388.258 2.278 20 0 GEADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000543620294 650915885 /nfs/dbraw/zinc/91/58/85/650915885.db2.gz DEWIDQAEBVXLSO-UHFFFAOYSA-N 1 0 381.420 2.129 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH2+]C(C)(C)C2)ccc1Cl ZINC000175389343 644390031 /nfs/dbraw/zinc/39/00/31/644390031.db2.gz LZIVPAGMRQRUAO-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO C[C@H]([NH2+]Cc1ccsc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000178024471 644428364 /nfs/dbraw/zinc/42/83/64/644428364.db2.gz GGKNLLJEPYJHCA-LBPRGKRZSA-N 1 0 388.536 2.325 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cccc(Br)c1 ZINC000543689509 650919863 /nfs/dbraw/zinc/91/98/63/650919863.db2.gz SLKFXKKIGCREMK-UHFFFAOYSA-N 1 0 379.320 2.086 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000178962191 644447838 /nfs/dbraw/zinc/44/78/38/644447838.db2.gz VFCGOLOIAMLDNQ-RKDXNWHRSA-N 1 0 382.711 2.245 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000179049875 644451036 /nfs/dbraw/zinc/45/10/36/644451036.db2.gz QWKMITUBQAQUCA-UHFFFAOYSA-N 1 0 396.329 2.384 20 0 GEADRO C[NH2+]C1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC000179145509 644452627 /nfs/dbraw/zinc/45/26/27/644452627.db2.gz SLONAMKTVBGBDD-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000179460832 644461174 /nfs/dbraw/zinc/46/11/74/644461174.db2.gz NPDPCAWBMBNXMR-IAQYHMDHSA-N 1 0 384.274 2.186 20 0 GEADRO Cn1cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(-c2cccs2)n1 ZINC000179719420 644470960 /nfs/dbraw/zinc/47/09/60/644470960.db2.gz KYWXCZLZIQOIKE-HNNXBMFYSA-N 1 0 382.555 2.442 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2C)C1 ZINC000179804128 644475752 /nfs/dbraw/zinc/47/57/52/644475752.db2.gz XGSVPDYUNZFTOO-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO OC[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccc(Br)cc1 ZINC000543839395 650926139 /nfs/dbraw/zinc/92/61/39/650926139.db2.gz MNUNZUONCQPMLU-INIZCTEOSA-N 1 0 388.269 2.291 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1Br ZINC000180298145 644499196 /nfs/dbraw/zinc/49/91/96/644499196.db2.gz SOOUYJAPVOBUAM-LBPRGKRZSA-N 1 0 389.315 2.224 20 0 GEADRO Cn1c(C(F)F)nn(CN2CCC(OCC[NH+]3CCCC3)CC2)c1=S ZINC000181383596 644534381 /nfs/dbraw/zinc/53/43/81/644534381.db2.gz JTHNKDIJFYFFKF-UHFFFAOYSA-N 1 0 375.489 2.423 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)c(Br)n1 ZINC000181432806 644535859 /nfs/dbraw/zinc/53/58/59/644535859.db2.gz RVBDECIEEOLAKR-LBPRGKRZSA-N 1 0 385.306 2.184 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000543998297 650930382 /nfs/dbraw/zinc/93/03/82/650930382.db2.gz PWYDMFRMIDVTTE-UPJWGTAASA-N 1 0 387.933 2.084 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000544026045 650931281 /nfs/dbraw/zinc/93/12/81/650931281.db2.gz ZEKYXRXOAMXKLH-WMLDXEAASA-N 1 0 397.313 2.317 20 0 GEADRO CC[C@H]([NH2+]CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000544449781 650942157 /nfs/dbraw/zinc/94/21/57/650942157.db2.gz TUMUWKMTFBCKHG-NEPJUHHUSA-N 1 0 378.947 2.478 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000544449782 650942202 /nfs/dbraw/zinc/94/22/02/650942202.db2.gz TUMUWKMTFBCKHG-NWDGAFQWSA-N 1 0 378.947 2.478 20 0 GEADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000544665889 650949003 /nfs/dbraw/zinc/94/90/03/650949003.db2.gz PXANKEMVSPHAQX-UHFFFAOYSA-N 1 0 389.315 2.100 20 0 GEADRO Cc1cc(SCC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)cc1Br ZINC000545153616 650962912 /nfs/dbraw/zinc/96/29/12/650962912.db2.gz QOHXROLMURIZKI-INIZCTEOSA-N 1 0 387.343 2.341 20 0 GEADRO CC[C@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000181748923 644946016 /nfs/dbraw/zinc/94/60/16/644946016.db2.gz UKWZCPRXKTVGHV-ZDUSSCGKSA-N 1 0 382.873 2.062 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)[N@H+](C)C1CC1 ZINC000181827696 644947627 /nfs/dbraw/zinc/94/76/27/644947627.db2.gz VIZNOCSFBHWBQB-VIFPVBQESA-N 1 0 375.803 2.479 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cnc1Br ZINC000182149305 644957300 /nfs/dbraw/zinc/95/73/00/644957300.db2.gz IPDKOZBJEUPEMQ-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000183150565 644981982 /nfs/dbraw/zinc/98/19/82/644981982.db2.gz OLOINWVUZFMYFC-CYBMUJFWSA-N 1 0 390.347 2.278 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@@H]1C[NH3+] ZINC000183176850 644984184 /nfs/dbraw/zinc/98/41/84/644984184.db2.gz RVXWEJUKHQFBFD-QPUJVOFHSA-N 1 0 383.258 2.475 20 0 GEADRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000183188815 644985227 /nfs/dbraw/zinc/98/52/27/644985227.db2.gz FPJGTTOQNWOIOT-UHFFFAOYSA-N 1 0 377.304 2.448 20 0 GEADRO COc1cc(C[NH2+][C@@H](C)C[S@](C)=O)cc(I)c1OC ZINC000184261022 645013785 /nfs/dbraw/zinc/01/37/85/645013785.db2.gz QNZMQPRRCFQVLT-UGZDLDLSSA-N 1 0 397.278 2.165 20 0 GEADRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000184280259 645015571 /nfs/dbraw/zinc/01/55/71/645015571.db2.gz QLUBNMNVGIBKFW-XACMVJRISA-N 1 0 384.523 2.176 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNCc1cc(Br)cc(Br)c1N ZINC000185865160 645055443 /nfs/dbraw/zinc/05/54/43/645055443.db2.gz COWIQMVKVZJLNT-ZDUSSCGKSA-N 1 0 395.139 2.196 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000187195585 645085159 /nfs/dbraw/zinc/08/51/59/645085159.db2.gz OTVRRHGCQQXLJH-CQSZACIVSA-N 1 0 379.320 2.056 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000187487261 645091684 /nfs/dbraw/zinc/09/16/84/645091684.db2.gz BZOPQYLHFKWOPY-LBPRGKRZSA-N 1 0 380.080 2.035 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC000545869053 650982702 /nfs/dbraw/zinc/98/27/02/650982702.db2.gz GCQXGFZAQFQHFB-CQSZACIVSA-N 1 0 381.782 2.469 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000545870636 650982856 /nfs/dbraw/zinc/98/28/56/650982856.db2.gz RHXRCUDJPSQCAR-UHFFFAOYSA-N 1 0 394.313 2.337 20 0 GEADRO C[C@@H](CNc1ncnc2cc(F)c(Br)cc21)C[NH+]1CCOCC1 ZINC000545871526 650983167 /nfs/dbraw/zinc/98/31/67/650983167.db2.gz DFOXWKLEDOAKKH-NSHDSACASA-N 1 0 383.265 2.912 20 0 GEADRO C[C@@H](CNC(=O)c1cc(Br)c(F)cc1F)C[NH+]1CCN(C)CC1 ZINC000192106157 645194266 /nfs/dbraw/zinc/19/42/66/645194266.db2.gz LIKGFPSTUHODAG-NSHDSACASA-N 1 0 390.272 2.341 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)CSc3nncn3-c3cccc(Cl)c3)C[C@H]2C1 ZINC000192469578 645208481 /nfs/dbraw/zinc/20/84/81/645208481.db2.gz HBDXTGQEGUQIRH-BETUJISGSA-N 1 0 377.901 2.033 20 0 GEADRO CC[C@@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)c1nc(C)cs1 ZINC000192609261 645214491 /nfs/dbraw/zinc/21/44/91/645214491.db2.gz YDORZTLHEIOGRG-CQSZACIVSA-N 1 0 385.559 2.256 20 0 GEADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)N1 ZINC000192656668 645218785 /nfs/dbraw/zinc/21/87/85/645218785.db2.gz FSMUYNBIWVSEGL-KRWDZBQOSA-N 1 0 389.253 2.171 20 0 GEADRO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192683049 645220755 /nfs/dbraw/zinc/22/07/55/645220755.db2.gz QIQKIESTIZCNFV-KRWDZBQOSA-N 1 0 396.285 2.064 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000192844252 645225273 /nfs/dbraw/zinc/22/52/73/645225273.db2.gz FKPUYSQCFKSXNJ-LBPRGKRZSA-N 1 0 383.290 2.163 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)ccc1Br ZINC000192858753 645226063 /nfs/dbraw/zinc/22/60/63/645226063.db2.gz ZEAVPYFPMLTSLU-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193075523 645238172 /nfs/dbraw/zinc/23/81/72/645238172.db2.gz DNBAQVMWGOYZPG-UHFFFAOYSA-N 1 0 383.290 2.162 20 0 GEADRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000193108306 645242435 /nfs/dbraw/zinc/24/24/35/645242435.db2.gz KYTXMRFOHSDSNJ-GFCCVEGCSA-N 1 0 376.238 2.226 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ncccc2Br)CC1 ZINC000193189805 645249943 /nfs/dbraw/zinc/24/99/43/645249943.db2.gz IWXILKGKLNLWPK-CQSZACIVSA-N 1 0 381.318 2.086 20 0 GEADRO O=S(=O)(c1cc(C(F)(F)F)ccc1Br)N1CCC[NH2+]CC1 ZINC000193231707 645253309 /nfs/dbraw/zinc/25/33/09/645253309.db2.gz XSYBBQLUUSJJMB-UHFFFAOYSA-N 1 0 387.221 2.452 20 0 GEADRO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193233291 645253426 /nfs/dbraw/zinc/25/34/26/645253426.db2.gz OJWZRJXOUHFILL-CABCVRRESA-N 1 0 388.917 2.318 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000193240364 645254836 /nfs/dbraw/zinc/25/48/36/645254836.db2.gz SMCPYEKYLOHJTD-NWANDNLSSA-N 1 0 388.917 2.304 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000193249183 645255217 /nfs/dbraw/zinc/25/52/17/645255217.db2.gz BGYPAGIPDIXVDO-LMWSTFAQSA-N 1 0 376.906 2.302 20 0 GEADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)C1 ZINC000193251498 645256217 /nfs/dbraw/zinc/25/62/17/645256217.db2.gz CULYXNFNLHBOHP-HIFRSBDPSA-N 1 0 388.917 2.257 20 0 GEADRO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193266324 645257878 /nfs/dbraw/zinc/25/78/78/645257878.db2.gz HNWJDJWTKZGSNY-ZIAGYGMSSA-N 1 0 388.917 2.033 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000193264959 645257952 /nfs/dbraw/zinc/25/79/52/645257952.db2.gz XHCMTZVHAPKTRM-LBPRGKRZSA-N 1 0 377.304 2.220 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000193275833 645259747 /nfs/dbraw/zinc/25/97/47/645259747.db2.gz XEAGYAPAYGWGBF-UHFFFAOYSA-N 1 0 381.267 2.147 20 0 GEADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000546179983 650994510 /nfs/dbraw/zinc/99/45/10/650994510.db2.gz ZQGBVFVEGQJBAZ-MRXNPFEDSA-N 1 0 380.275 2.409 20 0 GEADRO COc1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c(Br)c1O ZINC000546176945 650994711 /nfs/dbraw/zinc/99/47/11/650994711.db2.gz SGWPENOHDYKKIK-UHFFFAOYSA-N 1 0 392.315 2.468 20 0 GEADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(Br)cn1)C(C)C ZINC000193412706 645270012 /nfs/dbraw/zinc/27/00/12/645270012.db2.gz AYWREMOTBXGCJH-UHFFFAOYSA-N 1 0 385.306 2.408 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ncc1Br ZINC000193493944 645279061 /nfs/dbraw/zinc/27/90/61/645279061.db2.gz OHTYNKNCIOJPTI-NWDGAFQWSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ncc1Br ZINC000193575134 645285207 /nfs/dbraw/zinc/28/52/07/645285207.db2.gz ZUCKYNRDHAGQFW-JSGCOSHPSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1ccc(S(=O)(=O)NCc2cccc(OCC[NH+](C)C)c2)c(Cl)n1 ZINC000193789618 645298700 /nfs/dbraw/zinc/29/87/00/645298700.db2.gz PUCCEEVIEYZYLN-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO C[NH+](C)CCN1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000193879405 645304796 /nfs/dbraw/zinc/30/47/96/645304796.db2.gz VCDHAGIIQZVXHO-UHFFFAOYSA-N 1 0 379.448 2.418 20 0 GEADRO CN1CCN(C(=O)CC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000194023859 645308564 /nfs/dbraw/zinc/30/85/64/645308564.db2.gz SOHCGFRPMGXBLH-UHFFFAOYSA-N 1 0 380.330 2.449 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)[C@@H](C)C1 ZINC000194025647 645308720 /nfs/dbraw/zinc/30/87/20/645308720.db2.gz RXEPWWPPZMQYCC-QWHCGFSZSA-N 1 0 394.313 2.386 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194392400 645325824 /nfs/dbraw/zinc/32/58/24/645325824.db2.gz SRANTYZHYLRDMI-GDBMZVCRSA-N 1 0 385.302 2.226 20 0 GEADRO C=Cn1cc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 ZINC000194404547 645326408 /nfs/dbraw/zinc/32/64/08/645326408.db2.gz WUDALHGMZCJIGY-UHFFFAOYSA-N 1 0 375.372 2.446 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@@H](C)C1 ZINC000194565112 645334073 /nfs/dbraw/zinc/33/40/73/645334073.db2.gz DTUGIDOJBKUMKY-QWHCGFSZSA-N 1 0 384.311 2.461 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000194655122 645340154 /nfs/dbraw/zinc/34/01/54/645340154.db2.gz PRSPAMUWEXVRHL-KGLIPLIRSA-N 1 0 394.313 2.403 20 0 GEADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Br)cnc1Cl)C1CCCC1 ZINC000194770263 645347684 /nfs/dbraw/zinc/34/76/84/645347684.db2.gz JGGDDECCLAXYKT-JTQLQIEISA-N 1 0 382.711 2.293 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000195173032 645360531 /nfs/dbraw/zinc/36/05/31/645360531.db2.gz JLSPONLCMPNZRI-CYBMUJFWSA-N 1 0 395.301 2.021 20 0 GEADRO O=C(NCCn1ccnc1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000195475256 645381719 /nfs/dbraw/zinc/38/17/19/645381719.db2.gz NWVMDJBWYFWLKM-HNNXBMFYSA-N 1 0 379.258 2.429 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000225254212 645388976 /nfs/dbraw/zinc/38/89/76/645388976.db2.gz KTAOYOBNMFEWMF-UHFFFAOYSA-N 1 0 379.295 2.492 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CCO1 ZINC000226297357 645390443 /nfs/dbraw/zinc/39/04/43/645390443.db2.gz FDVIUMFLUKJMJJ-UFBFGSQYSA-N 1 0 394.640 2.133 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000226460254 645391117 /nfs/dbraw/zinc/39/11/17/645391117.db2.gz 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C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)COc1ccc(I)cc1 ZINC000237424914 645431258 /nfs/dbraw/zinc/43/12/58/645431258.db2.gz PJHOLCUBTDNSSU-FZMZJTMJSA-N 1 0 388.249 2.398 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000237488903 645433928 /nfs/dbraw/zinc/43/39/28/645433928.db2.gz ATMOQPDVZTVCOM-WCQYABFASA-N 1 0 379.917 2.473 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000237507404 645434647 /nfs/dbraw/zinc/43/46/47/645434647.db2.gz PWLUGBMDPHAFFO-PWSUYJOCSA-N 1 0 396.310 2.445 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000237534357 645436241 /nfs/dbraw/zinc/43/62/41/645436241.db2.gz FQHMMRVIUGGZBL-WDEREUQCSA-N 1 0 388.331 2.311 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](C)C[NH2+]1 ZINC000237615858 645439084 /nfs/dbraw/zinc/43/90/84/645439084.db2.gz BBLJDKCVVZXBJU-AGIUHOORSA-N 1 0 380.286 2.011 20 0 GEADRO C[C@@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCC[NH2+]C1 ZINC000237621579 645439113 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O=C(C[C@@H]1CSCC[NH2+]1)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000237852283 645445824 /nfs/dbraw/zinc/44/58/24/645445824.db2.gz GMIJLRVUGJXHNY-CQSZACIVSA-N 1 0 381.929 2.110 20 0 GEADRO [NH3+][C@H](CC(=O)NC[C@@H](O)COc1ccccc1Br)c1ccccc1 ZINC000237857281 645446172 /nfs/dbraw/zinc/44/61/72/645446172.db2.gz XIMUBHIBYZHDOV-GDBMZVCRSA-N 1 0 393.281 2.395 20 0 GEADRO [NH3+]CCCCCCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000238000864 645448743 /nfs/dbraw/zinc/44/87/43/645448743.db2.gz QPHQHIZYUKQZIT-UHFFFAOYSA-N 1 0 381.420 2.375 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(I)c(O)c1 ZINC000546873375 651012474 /nfs/dbraw/zinc/01/24/74/651012474.db2.gz ILZJFSKZWGQJBA-ZANVPECISA-N 1 0 386.233 2.209 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(Br)n1 ZINC000245604885 645461880 /nfs/dbraw/zinc/46/18/80/645461880.db2.gz QQAJMTGIACVEAZ-YPMHNXCESA-N 1 0 397.317 2.328 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cncc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245623550 645462694 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390.311 2.435 20 0 GEADRO CC[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CC[N@@H+]1C[C@H](C)O ZINC000246780411 645493819 /nfs/dbraw/zinc/49/38/19/645493819.db2.gz ISKZGYNGGXJTPY-WCQYABFASA-N 1 0 395.301 2.243 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3Br)CC[C@H]21 ZINC000246952301 645499626 /nfs/dbraw/zinc/49/96/26/645499626.db2.gz HLKWWXRWFJDHEW-IAQYHMDHSA-N 1 0 398.276 2.469 20 0 GEADRO CC[C@H]1CN(C(=O)c2cc(OC)ccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246981191 645500328 /nfs/dbraw/zinc/50/03/28/645500328.db2.gz UKSBBDZQCFOAET-STQMWFEESA-N 1 0 385.302 2.375 20 0 GEADRO CN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CCC[N@H+](C)C1 ZINC000247148163 645505853 /nfs/dbraw/zinc/50/58/53/645505853.db2.gz AAMAPAGOKCLJOP-UONOGXRCSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247541775 645512443 /nfs/dbraw/zinc/51/24/43/645512443.db2.gz CZSZWZKSMUDVFH-MELADBBJSA-N 1 0 384.318 2.163 20 0 GEADRO 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CCC[C@@H]1CCc2nc(NC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)sc2C1 ZINC000262227901 645620422 /nfs/dbraw/zinc/62/04/22/645620422.db2.gz PXEJXJCEQWLCLI-GFCCVEGCSA-N 1 0 385.555 2.153 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[NH2+][C@H](C)[C@@H]3C)ccc2s1 ZINC000262227643 645620769 /nfs/dbraw/zinc/62/07/69/645620769.db2.gz GJOZJBJYDHSUAE-NEPJUHHUSA-N 1 0 382.507 2.449 20 0 GEADRO COC[C@]1(CNS(=O)(=O)c2cccc(Br)c2Cl)CCC[NH2+]1 ZINC000262229769 645621342 /nfs/dbraw/zinc/62/13/42/645621342.db2.gz GSISYZSDTBBBMS-CYBMUJFWSA-N 1 0 397.722 2.149 20 0 GEADRO Cc1ccccc1-c1csc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)n1 ZINC000262254058 645622332 /nfs/dbraw/zinc/62/23/32/645622332.db2.gz SXFPPVNHSCJQIQ-UHFFFAOYSA-N 1 0 379.507 2.224 20 0 GEADRO Cc1csc(-c2ccc(NC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)cc2)n1 ZINC000262265420 645623026 /nfs/dbraw/zinc/62/30/26/645623026.db2.gz UYGOQOUWDOUCIK-UHFFFAOYSA-N 1 0 379.507 2.224 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)c2cccc(Cl)c2Br)CCC[NH2+]1 ZINC000262282329 645624502 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CC[NH2+][C@H](C)CNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000262474545 645631785 /nfs/dbraw/zinc/63/17/85/645631785.db2.gz PSNRMIXJHMQFBE-GTJPDFRWSA-N 1 0 375.332 2.451 20 0 GEADRO C[C@@H](NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000262558581 645637111 /nfs/dbraw/zinc/63/71/11/645637111.db2.gz QEFHTYKMERONRV-LLVKDONJSA-N 1 0 378.416 2.049 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262568769 645637128 /nfs/dbraw/zinc/63/71/28/645637128.db2.gz FUFLRGSCODUOHQ-GJZGRUSLSA-N 1 0 384.567 2.467 20 0 GEADRO COCC1(CNS(=O)(=O)c2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000262566789 645637257 /nfs/dbraw/zinc/63/72/57/645637257.db2.gz WTELEVQJACCJNB-UHFFFAOYSA-N 1 0 391.331 2.052 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262614247 645639817 /nfs/dbraw/zinc/63/98/17/645639817.db2.gz FHVVDAPLXIZADR-PMPSAXMXSA-N 1 0 379.913 2.208 20 0 GEADRO Cc1c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000262724252 645642455 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VDDIUTORWMDHGC-DZGCQCFKSA-N 1 0 385.555 2.269 20 0 GEADRO C[NH+](C)CCCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000264962102 645732383 /nfs/dbraw/zinc/73/23/83/645732383.db2.gz ZVLXOQNNEGKIPC-ZDUSSCGKSA-N 1 0 382.302 2.260 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000265341254 645753802 /nfs/dbraw/zinc/75/38/02/645753802.db2.gz ZGEPBYINFCEWIR-IRXDYDNUSA-N 1 0 382.961 2.385 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2nc3ccsc3s2)CC1 ZINC000265366166 645756240 /nfs/dbraw/zinc/75/62/40/645756240.db2.gz HGCPRYDGTKKUPK-UHFFFAOYSA-N 1 0 381.527 2.280 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000265363300 645756392 /nfs/dbraw/zinc/75/63/92/645756392.db2.gz GBILWAZGYFXCIA-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000265524149 645767961 /nfs/dbraw/zinc/76/79/61/645767961.db2.gz LMKVXAICAPGALP-TZMCWYRMSA-N 1 0 384.249 2.270 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000265602147 645779521 /nfs/dbraw/zinc/77/95/21/645779521.db2.gz LZMBCIZXGVBKIL-DZGCQCFKSA-N 1 0 398.301 2.293 20 0 GEADRO CSC[C@@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000265720598 645794810 /nfs/dbraw/zinc/79/48/10/645794810.db2.gz YUMWXJFHDBUPQX-CQSZACIVSA-N 1 0 381.567 2.084 20 0 GEADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000265882539 645809931 /nfs/dbraw/zinc/80/99/31/645809931.db2.gz URUNGTLBQDKXCC-UHFFFAOYSA-N 1 0 387.933 2.113 20 0 GEADRO CO[C@]1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCOC1 ZINC000547831456 651047459 /nfs/dbraw/zinc/04/74/59/651047459.db2.gz ZMWNIGRQVBUIMM-ZFWWWQNUSA-N 1 0 390.299 2.063 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266006091 645818695 /nfs/dbraw/zinc/81/86/95/645818695.db2.gz KWNBUOADIUJJDN-LSDHHAIUSA-N 1 0 396.329 2.430 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1cc(F)ccc1I ZINC000266164773 645828508 /nfs/dbraw/zinc/82/85/08/645828508.db2.gz QJFKRZQHHWVLOV-UHFFFAOYSA-N 1 0 394.228 2.128 20 0 GEADRO CC[NH+]1CCC(CCNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000266185330 645831682 /nfs/dbraw/zinc/83/16/82/645831682.db2.gz ALIKFPHEAPKNNF-UHFFFAOYSA-N 1 0 388.555 2.028 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)[NH+](C)C ZINC000266561313 645849881 /nfs/dbraw/zinc/84/98/81/645849881.db2.gz PJWNWWKRVNYAGF-MRVPVSSYSA-N 1 0 396.207 2.473 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C(F)(F)F)n1 ZINC000266667274 645858014 /nfs/dbraw/zinc/85/80/14/645858014.db2.gz GAQIWSVXMVFZCY-TYNCELHUSA-N 1 0 377.432 2.287 20 0 GEADRO Cn1ccnc1SCc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)o1 ZINC000267123857 645884903 /nfs/dbraw/zinc/88/49/03/645884903.db2.gz QHILUQHDVUAMDF-KRWDZBQOSA-N 1 0 380.539 2.473 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000267187884 645886955 /nfs/dbraw/zinc/88/69/55/645886955.db2.gz LTWJRKGFHCSDLG-GFCCVEGCSA-N 1 0 390.527 2.038 20 0 GEADRO O=C(c1c(F)cccc1Br)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000267210199 645887957 /nfs/dbraw/zinc/88/79/57/645887957.db2.gz RNPKLGWEILOXSL-UHFFFAOYSA-N 1 0 384.293 2.442 20 0 GEADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC000267224787 645889300 /nfs/dbraw/zinc/88/93/00/645889300.db2.gz UHIWGISKHQSACI-UHFFFAOYSA-N 1 0 390.527 2.038 20 0 GEADRO C[NH+](C)CCCCNC(=O)c1ccc2ncc(I)n2c1 ZINC000267274404 645894140 /nfs/dbraw/zinc/89/41/40/645894140.db2.gz TUMSYFGMHBYUCM-UHFFFAOYSA-N 1 0 386.237 2.011 20 0 GEADRO O=C(NCc1csc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267320616 645898150 /nfs/dbraw/zinc/89/81/50/645898150.db2.gz KEBKEQJIJLHYON-GFCCVEGCSA-N 1 0 388.331 2.374 20 0 GEADRO CNC(=O)CC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000267416997 645901032 /nfs/dbraw/zinc/90/10/32/645901032.db2.gz VJYXFCPBRSIOOC-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO O=C(CC[NH+]1CCC2(CNC(=O)C2)CC1)Nc1ccc(Br)cc1 ZINC000267644893 645911241 /nfs/dbraw/zinc/91/12/41/645911241.db2.gz JRVTYHQATXSRJC-UHFFFAOYSA-N 1 0 380.286 2.380 20 0 GEADRO CS[C@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000547950219 651058111 /nfs/dbraw/zinc/05/81/11/651058111.db2.gz ORCDMYCRXSVMIK-CVEARBPZSA-N 1 0 381.929 2.108 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000268137423 645947158 /nfs/dbraw/zinc/94/71/58/645947158.db2.gz DRXHOBOVUYPCFW-NOZJJQNGSA-N 1 0 384.249 2.126 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000268216173 645954506 /nfs/dbraw/zinc/95/45/06/645954506.db2.gz PNGYXRDSUCUWQQ-MLGOLLRUSA-N 1 0 394.313 2.168 20 0 GEADRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000268416035 645965550 /nfs/dbraw/zinc/96/55/50/645965550.db2.gz JUANGZNGVRXAIO-MQNRADLISA-N 1 0 388.961 2.298 20 0 GEADRO CCOc1cc(Cl)ccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000268430494 645966779 /nfs/dbraw/zinc/96/67/79/645966779.db2.gz XAVRDLXQGMWURL-QGZVFWFLSA-N 1 0 385.917 2.231 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1ccc2sccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000268440090 645968408 /nfs/dbraw/zinc/96/84/08/645968408.db2.gz RBVGFDFUMYMVOH-MRXNPFEDSA-N 1 0 380.535 2.482 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)cc1Cl ZINC000548042509 651061975 /nfs/dbraw/zinc/06/19/75/651061975.db2.gz LRXDIOFWZSHULY-JTQLQIEISA-N 1 0 377.869 2.200 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cccc(Cl)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000268696576 645989358 /nfs/dbraw/zinc/98/93/58/645989358.db2.gz TUKOJZWMQKQYAE-LBPRGKRZSA-N 1 0 376.881 2.060 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000268917752 646005852 /nfs/dbraw/zinc/00/58/52/646005852.db2.gz SVPBYRQWBVWLNR-XHDPSFHLSA-N 1 0 381.274 2.223 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)[C@H](C)N1CCOCC1 ZINC000268921528 646006462 /nfs/dbraw/zinc/00/64/62/646006462.db2.gz WVHOAWLGHBJXGF-RDBSUJKOSA-N 1 0 376.469 2.443 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CCSCCCO)ccc1S(=O)(=O)C(F)F ZINC000268927291 646007028 /nfs/dbraw/zinc/00/70/28/646007028.db2.gz YOGRNSCXYBQZFM-LLVKDONJSA-N 1 0 383.482 2.458 20 0 GEADRO CCCc1c(C(=O)N[C@H]2CC[NH2+]C2)nnn1Cc1cccc(Br)c1 ZINC000269124819 646018266 /nfs/dbraw/zinc/01/82/66/646018266.db2.gz CHQMZMDHVSNJJB-AWEZNQCLSA-N 1 0 392.301 2.133 20 0 GEADRO O=C(Nc1ccc(Br)nc1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269136126 646018789 /nfs/dbraw/zinc/01/87/89/646018789.db2.gz MQSDYJCIAXRVCO-ZIAGYGMSSA-N 1 0 383.290 2.343 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000269185280 646020848 /nfs/dbraw/zinc/02/08/48/646020848.db2.gz JHCDHCSMOCCWHS-GARJFASQSA-N 1 0 388.331 2.133 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)NCC[C@H]1CC[NH2+]C1 ZINC000269188347 646020894 /nfs/dbraw/zinc/02/08/94/646020894.db2.gz UXSMQEOPTULUOW-YYRQZUAOSA-N 1 0 381.270 2.349 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)COc2ccc(F)cc2Br)CC1 ZINC000269197687 646022045 /nfs/dbraw/zinc/02/20/45/646022045.db2.gz SGILNUDQUMCGTJ-UHFFFAOYSA-N 1 0 389.265 2.323 20 0 GEADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000269277808 646024232 /nfs/dbraw/zinc/02/42/32/646024232.db2.gz YFCGLVYPIRPSEU-XWIASGKRSA-N 1 0 378.274 2.257 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1Cl ZINC000269386136 646033615 /nfs/dbraw/zinc/03/36/15/646033615.db2.gz ZMTGXUYEEONWFI-NSHDSACASA-N 1 0 377.869 2.152 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC(C)(C)c1ccccc1Br ZINC000269508610 646043012 /nfs/dbraw/zinc/04/30/12/646043012.db2.gz NUOKFBWWGPRCSB-AWEZNQCLSA-N 1 0 397.361 2.272 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2sccc2Br)CC1 ZINC000269851990 646067572 /nfs/dbraw/zinc/06/75/72/646067572.db2.gz RBZGAIRUGMCERI-UHFFFAOYSA-N 1 0 397.360 2.024 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000269866562 646069921 /nfs/dbraw/zinc/06/99/21/646069921.db2.gz KZOWMUGOFAKRAQ-CQSZACIVSA-N 1 0 386.901 2.376 20 0 GEADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000269866951 646069985 /nfs/dbraw/zinc/06/99/85/646069985.db2.gz LVRGPHSVNLKRRE-CKEIUWERSA-N 1 0 399.329 2.346 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cncc(Cl)c2)[C@@H](C)C1 ZINC000269977820 646079038 /nfs/dbraw/zinc/07/90/38/646079038.db2.gz MPHIRHZDVJQVPG-BBRMVZONSA-N 1 0 375.922 2.150 20 0 GEADRO CC[NH+](CC)CCN(C(=O)Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270196015 646090823 /nfs/dbraw/zinc/09/08/23/646090823.db2.gz FXCXYLXIBONQNY-QGZVFWFLSA-N 1 0 386.945 2.240 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)Cc2ccc(Br)c(F)c2)ccc1=O ZINC000270309026 646102471 /nfs/dbraw/zinc/10/24/71/646102471.db2.gz ZTDPFBAYAKHFSG-UHFFFAOYSA-N 1 0 396.260 2.493 20 0 GEADRO NC(=O)[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(Br)c1 ZINC000270578834 646121432 /nfs/dbraw/zinc/12/14/32/646121432.db2.gz FCCBHLDPQKSDBY-INIZCTEOSA-N 1 0 396.329 2.210 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(Br)nc2)ccn1 ZINC000270679286 646128032 /nfs/dbraw/zinc/12/80/32/646128032.db2.gz ULHRJQSKBUOICH-UHFFFAOYSA-N 1 0 379.258 2.110 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccnc(Cl)c1I ZINC000270768159 646136739 /nfs/dbraw/zinc/13/67/39/646136739.db2.gz CUPKOHJSOZTTLL-QMMMGPOBSA-N 1 0 381.645 2.410 20 0 GEADRO CSCC[C@@H](O)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000270855329 646143036 /nfs/dbraw/zinc/14/30/36/646143036.db2.gz YSGRXNZAYRRFCF-QGZVFWFLSA-N 1 0 386.945 2.413 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000270879869 646146176 /nfs/dbraw/zinc/14/61/76/646146176.db2.gz NVDBYCHZRHWJSS-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000270934570 646154720 /nfs/dbraw/zinc/15/47/20/646154720.db2.gz WIGTZCIEUPNVPM-OCCSQVGLSA-N 1 0 398.301 2.385 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cc(F)c(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000270957631 646158090 /nfs/dbraw/zinc/15/80/90/646158090.db2.gz GDVRDJUFTJTXAR-NSHDSACASA-N 1 0 394.871 2.199 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000271062723 646169682 /nfs/dbraw/zinc/16/96/82/646169682.db2.gz CJFHCESYIYDFTN-RLCCDNCMSA-N 1 0 382.302 2.264 20 0 GEADRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2sc(CCOC)nc2C)c1 ZINC000271341858 646193224 /nfs/dbraw/zinc/19/32/24/646193224.db2.gz MRBLITNVRVCSOJ-LBPRGKRZSA-N 1 0 383.539 2.399 20 0 GEADRO COC[C@H](O)CC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000271438136 646206355 /nfs/dbraw/zinc/20/63/55/646206355.db2.gz DXHPDMSJJWBETQ-IAQYHMDHSA-N 1 0 383.290 2.386 20 0 GEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000271440618 646207080 /nfs/dbraw/zinc/20/70/80/646207080.db2.gz CHJDUDHNKLZLSH-KGLIPLIRSA-N 1 0 387.318 2.425 20 0 GEADRO CC[C@H]([NH2+]CCNS(=O)(=O)CCCOC)c1ccccc1OC(F)F ZINC000271734419 646226354 /nfs/dbraw/zinc/22/63/54/646226354.db2.gz HGSFBUGGBJSEFA-AWEZNQCLSA-N 1 0 380.457 2.285 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccccc2CSc2nc[nH]n2)C[C@H]1[NH+](C)C ZINC000271759213 646228765 /nfs/dbraw/zinc/22/87/65/646228765.db2.gz GNENJJAFGSTXBD-HUUCEWRRSA-N 1 0 377.539 2.215 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(Br)cc1F)CCO2 ZINC000271916733 646241140 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C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000287998345 646905395 /nfs/dbraw/zinc/90/53/95/646905395.db2.gz BGYALYYEVYHGIC-VIFPVBQESA-N 1 0 381.782 2.286 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000288666084 646922452 /nfs/dbraw/zinc/92/24/52/646922452.db2.gz VTAFFUYURXFOQC-GFCCVEGCSA-N 1 0 385.251 2.457 20 0 GEADRO CC(C)Oc1cc(Br)cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000289115911 646925252 /nfs/dbraw/zinc/92/52/52/646925252.db2.gz DCWRVRBXBSTWEY-INIZCTEOSA-N 1 0 396.329 2.356 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccnc(Br)c1 ZINC000290532554 647174609 /nfs/dbraw/zinc/17/46/09/647174609.db2.gz CSWPHBFQCUTRRM-UHFFFAOYSA-N 1 0 393.285 2.500 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000292187084 647184730 /nfs/dbraw/zinc/18/47/30/647184730.db2.gz ZPDSRVKOGZAHAD-NXEZZACHSA-N 1 0 376.404 2.186 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Br)cc3-n3cncn3)C2)C1 ZINC000292593448 647201648 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GEADRO COc1cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Br ZINC000296336825 647249568 /nfs/dbraw/zinc/24/95/68/647249568.db2.gz YMCIDYJWVSEIKN-YHWZYXNKSA-N 1 0 396.285 2.138 20 0 GEADRO C[C@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC[S@@](=O)C1 ZINC000297084640 647259708 /nfs/dbraw/zinc/25/97/08/647259708.db2.gz DYZJKHPULFEMGN-ODCWNRFASA-N 1 0 383.583 2.370 20 0 GEADRO CC[NH+](CC)CCN(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000299684592 647274340 /nfs/dbraw/zinc/27/43/40/647274340.db2.gz WOEVZFKZLAZUBS-KRWDZBQOSA-N 1 0 386.945 2.240 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000317022502 647285131 /nfs/dbraw/zinc/28/51/31/647285131.db2.gz RMSQTXYAZVKXJV-MWLCHTKSSA-N 1 0 392.275 2.118 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C[C@@H]1[NH+]1CCCC1 ZINC000330103560 647330024 /nfs/dbraw/zinc/33/00/24/647330024.db2.gz GYCOCVXWPGOKJL-YVECIDJPSA-N 1 0 379.448 2.322 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000330528114 647342073 /nfs/dbraw/zinc/34/20/73/647342073.db2.gz FCTCQASHNUWBDU-ZDUSSCGKSA-N 1 0 396.329 2.368 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000330928567 647360614 /nfs/dbraw/zinc/36/06/14/647360614.db2.gz LSFYAFSNLPSHLI-SWLSCSKDSA-N 1 0 382.302 2.120 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(Br)cn1 ZINC000331021467 647362886 /nfs/dbraw/zinc/36/28/86/647362886.db2.gz KJXPYEDGQAQFGQ-VXGBXAGGSA-N 1 0 376.320 2.243 20 0 GEADRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000331156325 647369246 /nfs/dbraw/zinc/36/92/46/647369246.db2.gz JVIFDLZOSWTZAB-HIFRSBDPSA-N 1 0 388.249 2.370 20 0 GEADRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC1 ZINC000331266509 647375657 /nfs/dbraw/zinc/37/56/57/647375657.db2.gz HUZLAKIBVIYLIF-UHFFFAOYSA-N 1 0 390.303 2.047 20 0 GEADRO CCOc1cc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc(Br)c1O ZINC000331308645 647379017 /nfs/dbraw/zinc/37/90/17/647379017.db2.gz BJROITLQMPOGIQ-QWHCGFSZSA-N 1 0 387.318 2.440 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000331570208 647389555 /nfs/dbraw/zinc/38/95/55/647389555.db2.gz UWMDDPHMNBDKST-IAQYHMDHSA-N 1 0 378.416 2.389 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000331860972 647401308 /nfs/dbraw/zinc/40/13/08/647401308.db2.gz IRGDOEJQKVODEH-ABAIWWIYSA-N 1 0 398.276 2.072 20 0 GEADRO CC1(C)CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[NH2+]1 ZINC000331907024 647403080 /nfs/dbraw/zinc/40/30/80/647403080.db2.gz OGEYFZMJYDIPMD-UHFFFAOYSA-N 1 0 379.262 2.246 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C[C@H]1[NH+](C)C ZINC000331927741 647403547 /nfs/dbraw/zinc/40/35/47/647403547.db2.gz VEJBSNNMHLMZAU-ZWKOPEQDSA-N 1 0 376.448 2.037 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000332067447 647409646 /nfs/dbraw/zinc/40/96/46/647409646.db2.gz UFQAZXQWZJRQCH-WCQYABFASA-N 1 0 398.276 2.388 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000332142113 647416055 /nfs/dbraw/zinc/41/60/55/647416055.db2.gz FGOTZGCEZJKZND-SQWLQELKSA-N 1 0 394.313 2.401 20 0 GEADRO Cc1c(Br)cccc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000332308851 647430338 /nfs/dbraw/zinc/43/03/38/647430338.db2.gz NMXLATBDNAGSDO-INIZCTEOSA-N 1 0 394.313 2.182 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1sccc1Br ZINC000332307910 647430480 /nfs/dbraw/zinc/43/04/80/647430480.db2.gz KNOYQCKSOBKOGB-LBPRGKRZSA-N 1 0 388.331 2.183 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332314567 647431378 /nfs/dbraw/zinc/43/13/78/647431378.db2.gz NITDAKNJOHGHRF-NXEZZACHSA-N 1 0 386.677 2.109 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1Br ZINC000332318973 647432348 /nfs/dbraw/zinc/43/23/48/647432348.db2.gz JGISPTALBLCFTF-XQQFMLRXSA-N 1 0 380.286 2.282 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000332484622 647441182 /nfs/dbraw/zinc/44/11/82/647441182.db2.gz APEZFVLGMSINBV-MRXNPFEDSA-N 1 0 394.313 2.105 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332560985 647445756 /nfs/dbraw/zinc/44/57/56/647445756.db2.gz QLSONWOSDAZVTO-ZJUUUORDSA-N 1 0 386.677 2.109 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000332628248 647449102 /nfs/dbraw/zinc/44/91/02/647449102.db2.gz YJEFOHBJANBALT-CYBMUJFWSA-N 1 0 396.329 2.416 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000332629148 647449670 /nfs/dbraw/zinc/44/96/70/647449670.db2.gz VWPCHNGVHQIMDI-UHFFFAOYSA-N 1 0 391.940 2.315 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)[N@@H+]1CCCC[C@H]1C ZINC000332635453 647450166 /nfs/dbraw/zinc/45/01/66/647450166.db2.gz SMCBBKQORFWHSN-VXGBXAGGSA-N 1 0 383.290 2.162 20 0 GEADRO CS[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2Br)C[C@H]1[NH+](C)C ZINC000332668780 647451530 /nfs/dbraw/zinc/45/15/30/647451530.db2.gz HPQFZERRIAZPEH-NXEZZACHSA-N 1 0 375.336 2.413 20 0 GEADRO C[N@H+](CC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCSC1 ZINC000332750209 647452531 /nfs/dbraw/zinc/45/25/31/647452531.db2.gz QJNRAJQWIJKFCL-ZFWWWQNUSA-N 1 0 381.929 2.389 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000332990715 647457815 /nfs/dbraw/zinc/45/78/15/647457815.db2.gz BDIHGFBVEOTJMQ-NSHDSACASA-N 1 0 377.304 2.026 20 0 GEADRO C[N@H+](CC(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCSC1 ZINC000332994238 647457835 /nfs/dbraw/zinc/45/78/35/647457835.db2.gz BNACVSHGXAVPLL-NEPJUHHUSA-N 1 0 376.448 2.018 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333094905 647460924 /nfs/dbraw/zinc/46/09/24/647460924.db2.gz CYGGSNACRKYPNM-NEPJUHHUSA-N 1 0 391.273 2.103 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1C(F)F ZINC000333107439 647462452 /nfs/dbraw/zinc/46/24/52/647462452.db2.gz DJFKURJFNGMXLI-ZDUSSCGKSA-N 1 0 376.473 2.305 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2noc3ccccc32)C[C@@H]1[NH+]1CCCC1 ZINC000333177807 647464273 /nfs/dbraw/zinc/46/42/73/647464273.db2.gz LUDUUULAHIOPAG-RDJZCZTQSA-N 1 0 381.523 2.169 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccnn3-c3ccc(Br)cn3)C[C@H]12 ZINC000333258777 647468153 /nfs/dbraw/zinc/46/81/53/647468153.db2.gz DPMASADIRXUERY-WCFLWFBJSA-N 1 0 391.273 2.231 20 0 GEADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCS(=O)CC2)CC1 ZINC000333597104 647475574 /nfs/dbraw/zinc/47/55/74/647475574.db2.gz CFLXCZPBHPPYKC-UHFFFAOYSA-N 1 0 385.917 2.409 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333669679 647478309 /nfs/dbraw/zinc/47/83/09/647478309.db2.gz MWJFBSKWLPVVCL-OCCSQVGLSA-N 1 0 391.320 2.383 20 0 GEADRO CN(C)c1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ncc1Br ZINC000333667326 647478328 /nfs/dbraw/zinc/47/83/28/647478328.db2.gz NCFUNBVVCMRYFO-SMDDNHRTSA-N 1 0 382.306 2.468 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000333683765 647479448 /nfs/dbraw/zinc/47/94/48/647479448.db2.gz PBJZNSUZRKEBMN-HOCLYGCPSA-N 1 0 382.302 2.327 20 0 GEADRO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1Br ZINC000333762254 647481002 /nfs/dbraw/zinc/48/10/02/647481002.db2.gz PLLLUBANYYPUDZ-HNNXBMFYSA-N 1 0 394.313 2.184 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000333803014 647482730 /nfs/dbraw/zinc/48/27/30/647482730.db2.gz OJMUSTJOUQINBW-UHFFFAOYSA-N 1 0 385.555 2.217 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000360455870 647557339 /nfs/dbraw/zinc/55/73/39/647557339.db2.gz UKURNIUBJQQYEL-SWHYSGLUSA-N 1 0 394.324 2.261 20 0 GEADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)CCCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000360453427 647557364 /nfs/dbraw/zinc/55/73/64/647557364.db2.gz ATTZBAQXKUFZPW-OKILXGFUSA-N 1 0 386.480 2.480 20 0 GEADRO Cc1cnc2c(cccc2S(=O)(=O)N2CCN([C@H]3CCSC3)CC2)c1 ZINC000361085034 647559669 /nfs/dbraw/zinc/55/96/69/647559669.db2.gz DUCCXGFOWXVEBG-INIZCTEOSA-N 1 0 377.535 2.355 20 0 GEADRO COc1ccc(Br)c(C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)c1 ZINC000362719722 647572045 /nfs/dbraw/zinc/57/20/45/647572045.db2.gz NVSUBBZAAPDWBE-JSGCOSHPSA-N 1 0 383.286 2.441 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000363209283 647588724 /nfs/dbraw/zinc/58/87/24/647588724.db2.gz MSBKCQVPRUAISR-INIZCTEOSA-N 1 0 384.307 2.477 20 0 GEADRO CC[C@@]1(C(=O)NCCC(=O)N(C)Cc2ccccc2Br)CC[NH2+]C1 ZINC000363511155 647597946 /nfs/dbraw/zinc/59/79/46/647597946.db2.gz HIOQQVLDRDURCH-GOSISDBHSA-N 1 0 396.329 2.304 20 0 GEADRO CCC[NH+]1CCN(C2CCN(C(=O)NC[C@H]3CSCCS3)CC2)CC1 ZINC000363616436 647603034 /nfs/dbraw/zinc/60/30/34/647603034.db2.gz HPSCRNXUGRETJG-KRWDZBQOSA-N 1 0 386.631 2.037 20 0 GEADRO Cc1nn(C)c(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1Br ZINC000363992275 647616111 /nfs/dbraw/zinc/61/61/11/647616111.db2.gz FHZGLELWGHCCJD-GUYCJALGSA-N 1 0 395.349 2.397 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000364156294 647619766 /nfs/dbraw/zinc/61/97/66/647619766.db2.gz MWPVGOMIOXYYSD-STQMWFEESA-N 1 0 380.286 2.060 20 0 GEADRO 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Cc1nc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)sc1S(N)(=O)=O ZINC000367218778 647724860 /nfs/dbraw/zinc/72/48/60/647724860.db2.gz JOXWUDSZVFOFCP-DGCLKSJQSA-N 1 0 386.568 2.655 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000367291072 647727078 /nfs/dbraw/zinc/72/70/78/647727078.db2.gz PFVZACBNSJYHCU-RISCZKNCSA-N 1 0 375.252 2.254 20 0 GEADRO Cc1cnn(C)c1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367553398 647737709 /nfs/dbraw/zinc/73/77/09/647737709.db2.gz MWFRHXPTIQTOSK-HOCLYGCPSA-N 1 0 382.917 2.353 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368385862 647755523 /nfs/dbraw/zinc/75/55/23/647755523.db2.gz RLLKMQDTYXQESZ-KBMXLJTQSA-N 1 0 379.913 2.066 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368385860 647755529 /nfs/dbraw/zinc/75/55/29/647755529.db2.gz RLLKMQDTYXQESZ-BPUTZDHNSA-N 1 0 379.913 2.066 20 0 GEADRO O=S(=O)(c1cccc(Br)c1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000368535928 647758849 /nfs/dbraw/zinc/75/88/49/647758849.db2.gz BLYNGCFBNAYGHG-UHFFFAOYSA-N 1 0 377.279 2.352 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000368574112 647759385 /nfs/dbraw/zinc/75/93/85/647759385.db2.gz JEYKTLXHLBBFDC-OAHLLOKOSA-N 1 0 389.315 2.222 20 0 GEADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368631464 647761709 /nfs/dbraw/zinc/76/17/09/647761709.db2.gz HUNYFVWJFGWYJE-WRWORJQWSA-N 1 0 383.670 2.224 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368635185 647762410 /nfs/dbraw/zinc/76/24/10/647762410.db2.gz RIAZIFQXNCYCJY-MLGOLLRUSA-N 1 0 388.917 2.174 20 0 GEADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000368820967 647765230 /nfs/dbraw/zinc/76/52/30/647765230.db2.gz HQJGGAJKSINSHD-QDMKHBRRSA-N 1 0 380.286 2.050 20 0 GEADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000369053489 647768334 /nfs/dbraw/zinc/76/83/34/647768334.db2.gz XQSOBNKDOKAPLH-UHFFFAOYSA-N 1 0 382.917 2.395 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369249827 647774261 /nfs/dbraw/zinc/77/42/61/647774261.db2.gz JMAYYOIZDCIKPR-KBRIMQKVSA-N 1 0 396.329 2.307 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000370231685 647783244 /nfs/dbraw/zinc/78/32/44/647783244.db2.gz FKQNUVXVMJPPRA-SWLSCSKDSA-N 1 0 386.901 2.279 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3csc(Br)c3)CC2)C1 ZINC000371267104 647788933 /nfs/dbraw/zinc/78/89/33/647788933.db2.gz VJZOWAFPSKPOGD-ZDUSSCGKSA-N 1 0 393.372 2.252 20 0 GEADRO C[C@H](C[NH2+]C1CCN(c2nnnn2C)CC1)c1cccc(Br)c1 ZINC000371335694 647792218 /nfs/dbraw/zinc/79/22/18/647792218.db2.gz MVUIYYNFDDAPQI-GFCCVEGCSA-N 1 0 379.306 2.335 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ncc(Br)s1 ZINC000371479097 647794281 /nfs/dbraw/zinc/79/42/81/647794281.db2.gz CZDROSIZHXTFOE-UINNMSKDSA-N 1 0 387.303 2.277 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000372449556 647804481 /nfs/dbraw/zinc/80/44/81/647804481.db2.gz ZVTKYEGXQGMVRZ-ZSOGYDGISA-N 1 0 377.901 2.368 20 0 GEADRO CN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000372568999 647806211 /nfs/dbraw/zinc/80/62/11/647806211.db2.gz ICMQOZPJCLMEIH-KBPBESRZSA-N 1 0 394.313 2.403 20 0 GEADRO O=C(NCc1ccsc1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000374656531 647824920 /nfs/dbraw/zinc/82/49/20/647824920.db2.gz SBMZCRTZHRCYFO-CHWSQXEVSA-N 1 0 388.331 2.251 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376700556 647848648 /nfs/dbraw/zinc/84/86/48/647848648.db2.gz NMXOPBSNIIEGKG-LBPRGKRZSA-N 1 0 382.555 2.252 20 0 GEADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2nc3c(s2)CSCC3)CCCC1 ZINC000376918130 647849733 /nfs/dbraw/zinc/84/97/33/647849733.db2.gz UUDAAJJVDJEBKX-UHFFFAOYSA-N 1 0 382.555 2.109 20 0 GEADRO C[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCSCC1 ZINC000376973405 647852440 /nfs/dbraw/zinc/85/24/40/647852440.db2.gz VTKXNOODLPBAIO-LRVUVFPRSA-N 1 0 379.492 2.345 20 0 GEADRO C[NH2+][C@@H](C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1cnn(C)c1 ZINC000377169083 647854853 /nfs/dbraw/zinc/85/48/53/647854853.db2.gz VBVHBKBVQLNPSN-JKSUJKDBSA-N 1 0 393.285 2.043 20 0 GEADRO C[C@H]1CN(C(=O)c2cccc(Br)n2)CCN1C1CC[NH+](C)CC1 ZINC000377258977 647858730 /nfs/dbraw/zinc/85/87/30/647858730.db2.gz ULTZGDDOLGIVAE-ZDUSSCGKSA-N 1 0 381.318 2.085 20 0 GEADRO CN1CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1c1ccccc1Cl ZINC000377521926 647861397 /nfs/dbraw/zinc/86/13/97/647861397.db2.gz AWVUIIFCJZXTAA-CRAIPNDOSA-N 1 0 385.961 2.300 20 0 GEADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H]2C2CC2)ccc1Cl ZINC000377533877 647862332 /nfs/dbraw/zinc/86/23/32/647862332.db2.gz NIAIRCDXADQXEX-HNNXBMFYSA-N 1 0 385.917 2.403 20 0 GEADRO CN1CC[C@H]([NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000377676642 647864587 /nfs/dbraw/zinc/86/45/87/647864587.db2.gz VTTPAEFRZDTZKX-FHLIZLRMSA-N 1 0 385.961 2.346 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000378018097 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CN1CC[N@H+](C)C[C@@H]1CNCc1cc(Cl)ccc1I ZINC000405815235 647911456 /nfs/dbraw/zinc/91/14/56/647911456.db2.gz VKFOCIZZJFPZBT-ZDUSSCGKSA-N 1 0 393.700 2.280 20 0 GEADRO C[N@H+](CC(=O)NCCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CCSC1 ZINC000484424880 647915967 /nfs/dbraw/zinc/91/59/67/647915967.db2.gz MIGIKQUCRPTSIB-CYBMUJFWSA-N 1 0 376.448 2.456 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cnc3ccc(Br)cc3c2O)C1 ZINC000408195444 647936034 /nfs/dbraw/zinc/93/60/34/647936034.db2.gz PICLFGAZFFMRJF-LBPRGKRZSA-N 1 0 378.270 2.457 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000408220513 647939278 /nfs/dbraw/zinc/93/92/78/647939278.db2.gz XFIGCBDZWNKXLO-LSDHHAIUSA-N 1 0 389.315 2.363 20 0 GEADRO O=C1[C@H](N2CC[NH+](CCc3cccs3)CC2)CCCN1CC(F)(F)F ZINC000409450349 647961663 /nfs/dbraw/zinc/96/16/63/647961663.db2.gz OBXBXAYELFZZKG-OAHLLOKOSA-N 1 0 375.460 2.462 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000409568423 647970933 /nfs/dbraw/zinc/97/09/33/647970933.db2.gz IYVSWBHVFAUYMF-IAQYHMDHSA-N 1 0 391.331 2.360 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000409721715 647981264 /nfs/dbraw/zinc/98/12/64/647981264.db2.gz HPBMZXDJFVSLCN-CQSZACIVSA-N 1 0 387.293 2.340 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000411662607 648029484 /nfs/dbraw/zinc/02/94/84/648029484.db2.gz BZHXWBNRZTWYPU-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000411679858 648031070 /nfs/dbraw/zinc/03/10/70/648031070.db2.gz WWMTUIBHSNSHFJ-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)C1 ZINC000412857170 648053403 /nfs/dbraw/zinc/05/34/03/648053403.db2.gz ZLBCVCLLAINFPI-BBRMVZONSA-N 1 0 396.329 2.414 20 0 GEADRO CC[N@@H+]1CC[C@H](NC(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)C1 ZINC000412857173 648053545 /nfs/dbraw/zinc/05/35/45/648053545.db2.gz ZLBCVCLLAINFPI-XJKSGUPXSA-N 1 0 396.329 2.414 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000413055989 648059269 /nfs/dbraw/zinc/05/92/69/648059269.db2.gz UVEQOFVUSMJPPB-UHFFFAOYSA-N 1 0 377.286 2.208 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)NCc2cc(Br)ccc2C)CC[N@H+](C)C1 ZINC000413475630 648065542 /nfs/dbraw/zinc/06/55/42/648065542.db2.gz YUNMCRLVZUZHJF-AWEZNQCLSA-N 1 0 398.301 2.004 20 0 GEADRO COCC(COC)[NH+]1CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000413480672 648066201 /nfs/dbraw/zinc/06/62/01/648066201.db2.gz RZPJSCDYSOHJPA-UHFFFAOYSA-N 1 0 395.301 2.176 20 0 GEADRO C[NH+](C)CCOCCNC(=O)NCc1cccc(Br)c1Cl ZINC000413482663 648066415 /nfs/dbraw/zinc/06/64/15/648066415.db2.gz VXKAUSXPXBBGOU-UHFFFAOYSA-N 1 0 378.698 2.480 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000413653496 648079332 /nfs/dbraw/zinc/07/93/32/648079332.db2.gz KHIROFDSCWNLLN-UHFFFAOYSA-N 1 0 375.922 2.273 20 0 GEADRO O=C(NCC[NH+]1CCC1)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000413887128 648081060 /nfs/dbraw/zinc/08/10/60/648081060.db2.gz VSPNGEQHPQOXRK-UHFFFAOYSA-N 1 0 395.345 2.418 20 0 GEADRO CN(CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414277804 648089483 /nfs/dbraw/zinc/08/94/83/648089483.db2.gz ZPOSBSDTEYHUSB-UHFFFAOYSA-N 1 0 398.326 2.323 20 0 GEADRO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414330117 648094584 /nfs/dbraw/zinc/09/45/84/648094584.db2.gz DRHPHVVWCQLIGE-LOWVWBTDSA-N 1 0 391.331 2.298 20 0 GEADRO C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414344077 648096871 /nfs/dbraw/zinc/09/68/71/648096871.db2.gz NTJOCUZPVRUPJN-PWSUYJOCSA-N 1 0 377.304 2.144 20 0 GEADRO Cc1cc(I)ccc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000414673822 648099206 /nfs/dbraw/zinc/09/92/06/648099206.db2.gz CXUVHBKRTWNCOO-LBPRGKRZSA-N 1 0 389.237 2.100 20 0 GEADRO CCC[NH2+]CCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000414718825 648101995 /nfs/dbraw/zinc/10/19/95/648101995.db2.gz SRNPZRZRHCKEFW-UHFFFAOYSA-N 1 0 390.937 2.492 20 0 GEADRO CC[NH2+]CCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414721156 648102018 /nfs/dbraw/zinc/10/20/18/648102018.db2.gz AVHGOZJXXARULF-UHFFFAOYSA-N 1 0 388.921 2.246 20 0 GEADRO C[C@@H](NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@H](C)[NH3+] ZINC000414724727 648102367 /nfs/dbraw/zinc/10/23/67/648102367.db2.gz SRJIQOZWOLNLMO-NWDGAFQWSA-N 1 0 388.921 2.372 20 0 GEADRO [NH3+]CCCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414722520 648102383 /nfs/dbraw/zinc/10/23/83/648102383.db2.gz GCWKILAEUUIWPM-UHFFFAOYSA-N 1 0 388.921 2.375 20 0 GEADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415472637 648105900 /nfs/dbraw/zinc/10/59/00/648105900.db2.gz YBWLQVDYKIWOOW-SECBINFHSA-N 1 0 398.179 2.479 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3nc(-c4cccs4)cs3)C[C@@H]21 ZINC000415583531 648106952 /nfs/dbraw/zinc/10/69/52/648106952.db2.gz JPOZQRDYPQMQNT-SDDRHHMPSA-N 1 0 376.507 2.396 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)n2)s1 ZINC000415590786 648108110 /nfs/dbraw/zinc/10/81/10/648108110.db2.gz HFMLCAZIYWKSNC-KRWDZBQOSA-N 1 0 376.507 2.331 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(OC)cc1I ZINC000415594245 648108620 /nfs/dbraw/zinc/10/86/20/648108620.db2.gz IGKCEDFILBWTEE-SECBINFHSA-N 1 0 377.226 2.419 20 0 GEADRO Cc1cc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(C)c1Br ZINC000415605042 648110209 /nfs/dbraw/zinc/11/02/09/648110209.db2.gz NPCPORMGEVOAMB-CYBMUJFWSA-N 1 0 397.317 2.385 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415625848 648111153 /nfs/dbraw/zinc/11/11/53/648111153.db2.gz QTHQAAKFSCIJDG-GFCCVEGCSA-N 1 0 391.269 2.194 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000415626209 648111278 /nfs/dbraw/zinc/11/12/78/648111278.db2.gz QNAMFPJATKOXCI-SMDDNHRTSA-N 1 0 398.301 2.289 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC000415628479 648111880 /nfs/dbraw/zinc/11/18/80/648111880.db2.gz FUGHSZIJWCBBCA-BETUJISGSA-N 1 0 396.285 2.139 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415809402 648113270 /nfs/dbraw/zinc/11/32/70/648113270.db2.gz MXHQZIRODOLLOZ-SCZZXKLOSA-N 1 0 390.228 2.300 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415810416 648113392 /nfs/dbraw/zinc/11/33/92/648113392.db2.gz XBLJQDQAKCGFLJ-SNVBAGLBSA-N 1 0 390.228 2.314 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(OC)c2)C1 ZINC000416411889 648117599 /nfs/dbraw/zinc/11/75/99/648117599.db2.gz BBWRDHOFUMMIJY-AWEZNQCLSA-N 1 0 390.933 2.470 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000416486785 648144552 /nfs/dbraw/zinc/14/45/52/648144552.db2.gz JQCIZSLEKGXCFI-QWHCGFSZSA-N 1 0 386.901 2.374 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000416495265 648148528 /nfs/dbraw/zinc/14/85/28/648148528.db2.gz LBCOEEFKXBOIKW-SECBINFHSA-N 1 0 397.722 2.341 20 0 GEADRO O=S(=O)(C1CC1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000416502449 648151789 /nfs/dbraw/zinc/15/17/89/648151789.db2.gz MDYKSINIYOPRRZ-UHFFFAOYSA-N 1 0 383.945 2.419 20 0 GEADRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000416506673 648153201 /nfs/dbraw/zinc/15/32/01/648153201.db2.gz HDLHIIJFYWRLQF-UHFFFAOYSA-N 1 0 377.304 2.003 20 0 GEADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000416508648 648153920 /nfs/dbraw/zinc/15/39/20/648153920.db2.gz RUFYQUPYOUARMX-UHFFFAOYSA-N 1 0 388.555 2.023 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416528846 648161467 /nfs/dbraw/zinc/16/14/67/648161467.db2.gz RAIVFRHHCLLMSC-GFCCVEGCSA-N 1 0 376.906 2.462 20 0 GEADRO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416552843 648169339 /nfs/dbraw/zinc/16/93/39/648169339.db2.gz IFPPIJNAGZQHQX-CVEARBPZSA-N 1 0 388.555 2.173 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000416819895 648213100 /nfs/dbraw/zinc/21/31/00/648213100.db2.gz BLTSNPABQLUXFL-INIZCTEOSA-N 1 0 383.290 2.076 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)C1CC[NH2+]CC1 ZINC000416822497 648213168 /nfs/dbraw/zinc/21/31/68/648213168.db2.gz FWQSCTXMQQGHID-UHFFFAOYSA-N 1 0 383.290 2.089 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000416837198 648214629 /nfs/dbraw/zinc/21/46/29/648214629.db2.gz WWVZEIXKRJFJEH-YPMHNXCESA-N 1 0 383.290 2.075 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000416837681 648214681 /nfs/dbraw/zinc/21/46/81/648214681.db2.gz XREZKILDNWHDMF-BXUZGUMPSA-N 1 0 397.317 2.465 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(Br)c(F)c2)CC[N@H+](C)C1 ZINC000416869844 648215492 /nfs/dbraw/zinc/21/54/92/648215492.db2.gz VPGSSPKTCRKQKT-JTQLQIEISA-N 1 0 388.237 2.157 20 0 GEADRO COc1cc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1Br ZINC000416896397 648215776 /nfs/dbraw/zinc/21/57/76/648215776.db2.gz PFRSWSUZAOARPL-RYUDHWBXSA-N 1 0 386.290 2.377 20 0 GEADRO COCC1(CNC(=O)NCc2ccc(Br)s2)CC[NH2+]CC1 ZINC000417090299 648224568 /nfs/dbraw/zinc/22/45/68/648224568.db2.gz VRKXGMUNFQJGSZ-UHFFFAOYSA-N 1 0 376.320 2.326 20 0 GEADRO COC[C@]1(CNC(=O)NCc2cc(OC)ccc2Br)CCC[NH2+]1 ZINC000417144038 648226337 /nfs/dbraw/zinc/22/63/37/648226337.db2.gz URYMFSVMWWZGDK-MRXNPFEDSA-N 1 0 386.290 2.026 20 0 GEADRO CO[C@@H]1CCN(C(=O)NCCc2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000417173098 648227980 /nfs/dbraw/zinc/22/79/80/648227980.db2.gz GTRBDJVHGZCDNA-QWHCGFSZSA-N 1 0 388.281 2.278 20 0 GEADRO Cc1csc([C@H](NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)C(F)(F)F)n1 ZINC000417175440 648228535 /nfs/dbraw/zinc/22/85/35/648228535.db2.gz JMZGTTQCGQGTQN-SRVKXCTJSA-N 1 0 380.436 2.151 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417178900 648229354 /nfs/dbraw/zinc/22/93/54/648229354.db2.gz NIOBYYIUGVMMIA-GHMZBOCLSA-N 1 0 386.290 2.436 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417215049 648232781 /nfs/dbraw/zinc/23/27/81/648232781.db2.gz HXACHDKRTFPSES-MTICYGMRSA-N 1 0 392.301 2.412 20 0 GEADRO O=C(NCc1cn2cc(Br)ccc2n1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417216168 648233354 /nfs/dbraw/zinc/23/33/54/648233354.db2.gz JGNNOINQDBEQLX-LSDHHAIUSA-N 1 0 392.301 2.284 20 0 GEADRO C[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)[C@H](C)C[NH2+]1 ZINC000417226069 648234816 /nfs/dbraw/zinc/23/48/16/648234816.db2.gz OMSXYRMMZZTXIA-VXGBXAGGSA-N 1 0 383.290 2.170 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)C(F)F ZINC000417230992 648235664 /nfs/dbraw/zinc/23/56/64/648235664.db2.gz XBVMGLXCONQLQV-LLVKDONJSA-N 1 0 393.232 2.059 20 0 GEADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417256282 648236494 /nfs/dbraw/zinc/23/64/94/648236494.db2.gz ABKPLISPKYBSRN-KFWWJZLASA-N 1 0 393.329 2.136 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417258427 648236952 /nfs/dbraw/zinc/23/69/52/648236952.db2.gz FJUSQGGUXYDCSW-DZGCQCFKSA-N 1 0 381.318 2.279 20 0 GEADRO C[C@@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000417304334 648238640 /nfs/dbraw/zinc/23/86/40/648238640.db2.gz UEJIEPBSWDHAKL-DGCLKSJQSA-N 1 0 398.301 2.347 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417306128 648239279 /nfs/dbraw/zinc/23/92/79/648239279.db2.gz ZGVJGMVEIPMSTA-GFCCVEGCSA-N 1 0 398.301 2.491 20 0 GEADRO O=C(NCc1c(F)cccc1Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417348176 648240206 /nfs/dbraw/zinc/24/02/06/648240206.db2.gz IQDMDBWLHGUPAF-ZDUSSCGKSA-N 1 0 382.789 2.114 20 0 GEADRO COc1cc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc(Br)c1OC ZINC000417376765 648242009 /nfs/dbraw/zinc/24/20/09/648242009.db2.gz OPADWOONNVQKAA-GHMZBOCLSA-N 1 0 386.290 2.358 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000417378856 648242578 /nfs/dbraw/zinc/24/25/78/648242578.db2.gz IAHWCHGSIDAVLC-KBPBESRZSA-N 1 0 386.290 2.105 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2sccc2Br)CC12CCOCC2 ZINC000417398123 648243034 /nfs/dbraw/zinc/24/30/34/648243034.db2.gz HHJMFHJRAUFZQP-NSHDSACASA-N 1 0 388.331 2.408 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc(Br)c1OC ZINC000417383236 648243082 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O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417479453 648248675 /nfs/dbraw/zinc/24/86/75/648248675.db2.gz KLMYDMQEOHIHPH-IIAWOOMASA-N 1 0 393.329 2.279 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417591971 648254647 /nfs/dbraw/zinc/25/46/47/648254647.db2.gz DPRQEMMLSFMHGC-UMVBOHGHSA-N 1 0 381.318 2.325 20 0 GEADRO CN(C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C1CC[NH2+]CC1 ZINC000417599305 648255124 /nfs/dbraw/zinc/25/51/24/648255124.db2.gz HIXWJSDKEUBFOS-CYBMUJFWSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417603159 648255470 /nfs/dbraw/zinc/25/54/70/648255470.db2.gz QIALYESPOFVMRB-NFAWXSAZSA-N 1 0 381.318 2.325 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417604279 648256041 /nfs/dbraw/zinc/25/60/41/648256041.db2.gz UJORIUFGZBYWMI-CXAGYDPISA-N 1 0 381.318 2.408 20 0 GEADRO COCC1(CNC(=O)NCCc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000417687129 648257808 /nfs/dbraw/zinc/25/78/08/648257808.db2.gz BSXHQXICSRPDJW-UHFFFAOYSA-N 1 0 384.318 2.307 20 0 GEADRO Cc1ccc(C[C@H](C)NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000417733514 648260347 /nfs/dbraw/zinc/26/03/47/648260347.db2.gz UJPDZKGHVXUGKS-SMDDNHRTSA-N 1 0 378.464 2.123 20 0 GEADRO [NH3+]C1(CNC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCC1 ZINC000417825412 648263067 /nfs/dbraw/zinc/26/30/67/648263067.db2.gz CISAUNYGRJWFFO-UHFFFAOYSA-N 1 0 376.770 2.082 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000417894564 648265026 /nfs/dbraw/zinc/26/50/26/648265026.db2.gz FWNQUHWVVNVKPC-UHFFFAOYSA-N 1 0 386.290 2.194 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417901436 648265729 /nfs/dbraw/zinc/26/57/29/648265729.db2.gz VUKIUUBLKGNBJE-GDBMZVCRSA-N 1 0 395.345 2.069 20 0 GEADRO O=C(NCc1ccc(Br)cc1C(F)(F)F)NC[C@H]1C[NH2+]CCO1 ZINC000417951480 648267224 /nfs/dbraw/zinc/26/72/24/648267224.db2.gz LPFQXQFCOBAOMY-LLVKDONJSA-N 1 0 396.207 2.256 20 0 GEADRO CN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC[NH2+]CC1 ZINC000417979918 648267830 /nfs/dbraw/zinc/26/78/30/648267830.db2.gz ABFHNGDDECNTOW-HNNXBMFYSA-N 1 0 385.295 2.492 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)nc12 ZINC000417995346 648268151 /nfs/dbraw/zinc/26/81/51/648268151.db2.gz ATUZLEPAHBQNJX-OLZOCXBDSA-N 1 0 394.317 2.340 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)nc12 ZINC000417996068 648268263 /nfs/dbraw/zinc/26/82/63/648268263.db2.gz BDBGVRNQZVKUNM-AAEUAGOBSA-N 1 0 380.290 2.345 20 0 GEADRO COCC[NH2+]CCNC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000417997474 648268706 /nfs/dbraw/zinc/26/87/06/648268706.db2.gz TYHLZTKADHCIRH-SWLSCSKDSA-N 1 0 388.306 2.060 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418014877 648269565 /nfs/dbraw/zinc/26/95/65/648269565.db2.gz PDOAOSZMBJWXAJ-DOMZBBRYSA-N 1 0 397.317 2.160 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)N[C@H](C)CC[NH3+])C2=O)ccc1Br ZINC000418016737 648270405 /nfs/dbraw/zinc/27/04/05/648270405.db2.gz RNNOIURDMAPMCL-DOMZBBRYSA-N 1 0 397.317 2.289 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)NC(C)(C)C[NH3+])C2=O)ccc1Br ZINC000418017393 648270425 /nfs/dbraw/zinc/27/04/25/648270425.db2.gz SKHIFNSNKQHDNE-CQSZACIVSA-N 1 0 397.317 2.289 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NCCC[NH2+]C3CC3)nc12 ZINC000418019357 648270862 /nfs/dbraw/zinc/27/08/62/648270862.db2.gz KVYVXPBPRHQPGA-UHFFFAOYSA-N 1 0 380.290 2.347 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(F)cc2I)CC1 ZINC000418018408 648270942 /nfs/dbraw/zinc/27/09/42/648270942.db2.gz UOEFCYZQKNQFAR-LBPRGKRZSA-N 1 0 392.256 2.319 20 0 GEADRO Cc1cc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000418022017 648271376 /nfs/dbraw/zinc/27/13/76/648271376.db2.gz QLFCGXJQOKCSDS-CQSZACIVSA-N 1 0 378.826 2.284 20 0 GEADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418025460 648271708 /nfs/dbraw/zinc/27/17/08/648271708.db2.gz FVZFUDKUOOPDEG-HZPDHXFCSA-N 1 0 384.318 2.448 20 0 GEADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000418046920 648273335 /nfs/dbraw/zinc/27/33/35/648273335.db2.gz PSXSDSLSGREHOR-CQSZACIVSA-N 1 0 376.213 2.388 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000418061167 648274160 /nfs/dbraw/zinc/27/41/60/648274160.db2.gz DHCJFODRRVMXRM-OAHLLOKOSA-N 1 0 381.523 2.431 20 0 GEADRO CCn1c(CNC(=O)NC[C@H](C)C[NH2+]C)nc2cc(Br)ccc21 ZINC000418065142 648274428 /nfs/dbraw/zinc/27/44/28/648274428.db2.gz LEVHVNKRZKBUGQ-LLVKDONJSA-N 1 0 382.306 2.473 20 0 GEADRO CCn1c(CNC(=O)N2CC[NH2+][C@H](C)C2)nc2cc(Br)ccc21 ZINC000418068325 648274625 /nfs/dbraw/zinc/27/46/25/648274625.db2.gz PUHGDUKIJBZIGP-LLVKDONJSA-N 1 0 380.290 2.322 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[C@H]1[NH3+] ZINC000418077685 648275374 /nfs/dbraw/zinc/27/53/74/648275374.db2.gz IFJSLLFLXXXZEY-HONMWMINSA-N 1 0 385.295 2.477 20 0 GEADRO CCn1c(CNC(=O)N2CC[C@@H]([NH2+]C)C2)nc2cc(Br)ccc21 ZINC000418072938 648275416 /nfs/dbraw/zinc/27/54/16/648275416.db2.gz YYBQARKPGHPKSC-GFCCVEGCSA-N 1 0 380.290 2.322 20 0 GEADRO OCCC[N@@H+]1CCC[C@H](NCc2ccc(F)cc2I)C1 ZINC000418079379 648275947 /nfs/dbraw/zinc/27/59/47/648275947.db2.gz QIBPRVXFOPWGLL-AWEZNQCLSA-N 1 0 392.256 2.367 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CCO1 ZINC000418084036 648276374 /nfs/dbraw/zinc/27/63/74/648276374.db2.gz UMZNPOVTENKYFB-KBPBESRZSA-N 1 0 387.311 2.331 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418083178 648276635 /nfs/dbraw/zinc/27/66/35/648276635.db2.gz ROEWOBQFFAHLFB-OCCSQVGLSA-N 1 0 385.295 2.492 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418088104 648277935 /nfs/dbraw/zinc/27/79/35/648277935.db2.gz JIZDMSXSSWCIFP-ZFWWWQNUSA-N 1 0 397.317 2.371 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418095436 648279223 /nfs/dbraw/zinc/27/92/23/648279223.db2.gz VXAVCNMWOBFFPJ-CQSZACIVSA-N 1 0 397.317 2.181 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418098159 648279633 /nfs/dbraw/zinc/27/96/33/648279633.db2.gz ZHPRICVDWVYHEY-MLGOLLRUSA-N 1 0 392.301 2.432 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418106919 648280586 /nfs/dbraw/zinc/28/05/86/648280586.db2.gz YKWPNGAVGASEFB-GUTXKFCHSA-N 1 0 381.318 2.407 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)C(F)F ZINC000418107849 648280981 /nfs/dbraw/zinc/28/09/81/648280981.db2.gz ZVZKZZVFQHJHCJ-DGCLKSJQSA-N 1 0 391.260 2.310 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(N(C)C)CC1 ZINC000418110998 648281553 /nfs/dbraw/zinc/28/15/53/648281553.db2.gz DCWIKQHJGMWVIO-LBPRGKRZSA-N 1 0 384.318 2.146 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418113731 648281600 /nfs/dbraw/zinc/28/16/00/648281600.db2.gz JUULXCGYBJAMHV-RABLLNBGSA-N 1 0 399.276 2.129 20 0 GEADRO COCC1(CNC(=O)N[C@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000418115297 648281980 /nfs/dbraw/zinc/28/19/80/648281980.db2.gz OJOWUEQQGFPDLQ-GFCCVEGCSA-N 1 0 385.306 2.221 20 0 GEADRO COCC1(CNC(=O)N[C@@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000418115298 648282068 /nfs/dbraw/zinc/28/20/68/648282068.db2.gz OJOWUEQQGFPDLQ-LBPRGKRZSA-N 1 0 385.306 2.221 20 0 GEADRO O=C(NCc1ccc(I)cc1Cl)N[C@H]1CCC[NH2+]C1 ZINC000418121560 648282926 /nfs/dbraw/zinc/28/29/26/648282926.db2.gz IYXQUDKMVCSMHC-NSHDSACASA-N 1 0 393.656 2.496 20 0 GEADRO Cc1cc(CNC(=O)N(C)C2CC[NH2+]CC2)ccc1I ZINC000418138509 648284183 /nfs/dbraw/zinc/28/41/83/648284183.db2.gz GGKLYUPCCWRAHZ-UHFFFAOYSA-N 1 0 387.265 2.493 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1I ZINC000418137927 648284284 /nfs/dbraw/zinc/28/42/84/648284284.db2.gz FMHYJSZNFVXDPL-KGLIPLIRSA-N 1 0 399.276 2.351 20 0 GEADRO COCC[C@@H](NC(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000418157500 648285511 /nfs/dbraw/zinc/28/55/11/648285511.db2.gz CBDMAIOJJMMELA-IUODEOHRSA-N 1 0 376.284 2.440 20 0 GEADRO COCC1(CNC(=O)NCc2ccsc2Br)CC[NH2+]CC1 ZINC000418148896 648285593 /nfs/dbraw/zinc/28/55/93/648285593.db2.gz ANMIYCXOGVVUTG-UHFFFAOYSA-N 1 0 376.320 2.326 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418160134 648285812 /nfs/dbraw/zinc/28/58/12/648285812.db2.gz PDHIXLBJURTVOF-VIFPVBQESA-N 1 0 381.645 2.481 20 0 GEADRO O=C(NCc1ccc(I)c(Cl)c1)N1CC[NH2+]CC1 ZINC000418157629 648285894 /nfs/dbraw/zinc/28/58/94/648285894.db2.gz MWDGHXKMOPKGMV-UHFFFAOYSA-N 1 0 379.629 2.059 20 0 GEADRO [NH3+]CCCCNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418165473 648285926 /nfs/dbraw/zinc/28/59/26/648285926.db2.gz SRFHASNYMQZMMR-UHFFFAOYSA-N 1 0 381.645 2.483 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CCCO1 ZINC000418198600 648287514 /nfs/dbraw/zinc/28/75/14/648287514.db2.gz LXYJJPKHDNWVPE-CYBMUJFWSA-N 1 0 395.301 2.232 20 0 GEADRO COCC[NH2+]CCNC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000418203106 648287666 /nfs/dbraw/zinc/28/76/66/648287666.db2.gz DBYPVXAMTMWKAL-UHFFFAOYSA-N 1 0 384.318 2.406 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCC2(c3ccccc3Br)CCC2)CCO1 ZINC000418214131 648287766 /nfs/dbraw/zinc/28/77/66/648287766.db2.gz MWOUPNYOWJOBIV-ZDUSSCGKSA-N 1 0 382.302 2.240 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418227135 648288000 /nfs/dbraw/zinc/28/80/00/648288000.db2.gz BQIXQARFRAOAJZ-CZUORRHYSA-N 1 0 387.933 2.415 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418271986 648290666 /nfs/dbraw/zinc/29/06/66/648290666.db2.gz USCLJRSUXCYZCP-NSHDSACASA-N 1 0 380.290 2.466 20 0 GEADRO C[NH2+]CCCNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418280390 648290807 /nfs/dbraw/zinc/29/08/07/648290807.db2.gz RTVVBNYOGUFUJI-GFCCVEGCSA-N 1 0 398.223 2.410 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000418290642 648291217 /nfs/dbraw/zinc/29/12/17/648291217.db2.gz SFPNBEJMGKZRNG-KRWDZBQOSA-N 1 0 382.961 2.435 20 0 GEADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418296450 648291712 /nfs/dbraw/zinc/29/17/12/648291712.db2.gz JLUQOMWYPAZXQI-AWEZNQCLSA-N 1 0 395.345 2.201 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)N(CCO)Cc1ccc(Br)s1 ZINC000418320312 648292956 /nfs/dbraw/zinc/29/29/56/648292956.db2.gz QESKKBIJCSVVEH-LLVKDONJSA-N 1 0 376.320 2.014 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000418344290 648294260 /nfs/dbraw/zinc/29/42/60/648294260.db2.gz AXUZJCLFBFEWFF-HIFRSBDPSA-N 1 0 399.276 2.227 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)N(CCO)Cc1ccc(Br)s1 ZINC000418347019 648294263 /nfs/dbraw/zinc/29/42/63/648294263.db2.gz NFJNDPVOFDSZNM-GFCCVEGCSA-N 1 0 390.347 2.404 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418355684 648294429 /nfs/dbraw/zinc/29/44/29/648294429.db2.gz XDEOSBQIMIFCMF-QWHCGFSZSA-N 1 0 390.311 2.422 20 0 GEADRO [NH3+]C1CCC(NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000418379985 648295232 /nfs/dbraw/zinc/29/52/32/648295232.db2.gz DTMDSHWSUJOHMP-MCIGGMRASA-N 1 0 376.284 2.302 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418377657 648295241 /nfs/dbraw/zinc/29/52/41/648295241.db2.gz HJGWZPFGKXXDQQ-LBPRGKRZSA-N 1 0 387.347 2.090 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418372151 648295307 /nfs/dbraw/zinc/29/53/07/648295307.db2.gz QOEZUNYARRLEJK-GFCCVEGCSA-N 1 0 387.347 2.090 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418381787 648295369 /nfs/dbraw/zinc/29/53/69/648295369.db2.gz XYXHJLWBOMVWPH-HNNXBMFYSA-N 1 0 387.311 2.393 20 0 GEADRO [NH3+]C1CCC(NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000418376876 648295392 /nfs/dbraw/zinc/29/53/92/648295392.db2.gz ASIAFMMEVKWBDB-IUDNXUCKSA-N 1 0 384.318 2.169 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418384819 648295746 /nfs/dbraw/zinc/29/57/46/648295746.db2.gz PBZVBSCDJJFJFJ-OAHLLOKOSA-N 1 0 387.311 2.393 20 0 GEADRO [NH3+]C1CCC(NC(=O)NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000418391895 648296035 /nfs/dbraw/zinc/29/60/35/648296035.db2.gz VUNFEDXOHJWDAV-GRTSSRMGSA-N 1 0 384.318 2.169 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418393401 648296110 /nfs/dbraw/zinc/29/61/10/648296110.db2.gz QWIJEDVABXTEIY-GFCCVEGCSA-N 1 0 395.305 2.027 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418402614 648296569 /nfs/dbraw/zinc/29/65/69/648296569.db2.gz BDDYGLGFGNRSDT-YQQAZPJKSA-N 1 0 398.345 2.417 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000418403354 648296575 /nfs/dbraw/zinc/29/65/75/648296575.db2.gz OXSQKRKSHKQKQB-OAHLLOKOSA-N 1 0 385.295 2.198 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418405355 648297111 /nfs/dbraw/zinc/29/71/11/648297111.db2.gz KYNFDIMJUIYVBZ-BBRMVZONSA-N 1 0 386.334 2.191 20 0 GEADRO O=C(NCC1C[NH2+]C1)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000418480648 648297379 /nfs/dbraw/zinc/29/73/79/648297379.db2.gz BZQVAPOBLNKXTP-CYBMUJFWSA-N 1 0 399.276 2.085 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418482922 648297836 /nfs/dbraw/zinc/29/78/36/648297836.db2.gz BKKSTWLNIOTAKB-MRXNPFEDSA-N 1 0 387.311 2.378 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000418497248 648298153 /nfs/dbraw/zinc/29/81/53/648298153.db2.gz JUPQRIARLOXOIC-ZDUSSCGKSA-N 1 0 376.284 2.392 20 0 GEADRO CCC[NH2+]CCNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418487410 648298362 /nfs/dbraw/zinc/29/83/62/648298362.db2.gz IIZRJWNRVFJRKN-ZDUSSCGKSA-N 1 0 390.297 2.038 20 0 GEADRO [NH3+][C@H](CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000418500511 648298851 /nfs/dbraw/zinc/29/88/51/648298851.db2.gz PXINJZFCOFNNCT-MRXNPFEDSA-N 1 0 381.318 2.014 20 0 GEADRO CC1(CNC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000418517215 648299603 /nfs/dbraw/zinc/29/96/03/648299603.db2.gz KRRJKSXEGMUKMS-OAHLLOKOSA-N 1 0 398.345 2.289 20 0 GEADRO CC1(CNC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000418525710 648299889 /nfs/dbraw/zinc/29/98/89/648299889.db2.gz YIUKRVYEOUTOOL-OAHLLOKOSA-N 1 0 398.345 2.289 20 0 GEADRO CC1(CNC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000418525662 648300121 /nfs/dbraw/zinc/30/01/21/648300121.db2.gz YBPRUTNQFVWQAR-CQSZACIVSA-N 1 0 388.281 2.311 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418536666 648300556 /nfs/dbraw/zinc/30/05/56/648300556.db2.gz HDELHIGIXYESTF-UHFFFAOYSA-N 1 0 399.358 2.258 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418553646 648301403 /nfs/dbraw/zinc/30/14/03/648301403.db2.gz TYFRTNNXXHFKQK-GOEBONIOSA-N 1 0 384.318 2.041 20 0 GEADRO C[C@@]1(CNC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000418557704 648301697 /nfs/dbraw/zinc/30/16/97/648301697.db2.gz XAETUHVCBGUJQD-CRAIPNDOSA-N 1 0 398.345 2.289 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418578514 648302758 /nfs/dbraw/zinc/30/27/58/648302758.db2.gz QAILFAPDNYYKAC-MDZLAQPJSA-N 1 0 376.284 2.030 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)COc1ncccc1Br ZINC000418587616 648303207 /nfs/dbraw/zinc/30/32/07/648303207.db2.gz GVDSIUXWFYVFPI-WCQYABFASA-N 1 0 385.306 2.299 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000418597740 648303938 /nfs/dbraw/zinc/30/39/38/648303938.db2.gz YFQAKNCQWGVCFS-GHMZBOCLSA-N 1 0 376.320 2.284 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000418594855 648303974 /nfs/dbraw/zinc/30/39/74/648303974.db2.gz FXOSKIAOBANIEE-WOPDTQHZSA-N 1 0 376.284 2.173 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000418601436 648304260 /nfs/dbraw/zinc/30/42/60/648304260.db2.gz UMHQLKARMMSKQO-KMFMINBZSA-N 1 0 398.345 2.206 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000418619420 648305211 /nfs/dbraw/zinc/30/52/11/648305211.db2.gz OTPKNZFSHBOYRB-NSHDSACASA-N 1 0 388.306 2.087 20 0 GEADRO C[C@H]1c2ccsc2CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418612335 648305259 /nfs/dbraw/zinc/30/52/59/648305259.db2.gz IRLUSHTWNJWYNF-FZMZJTMJSA-N 1 0 376.448 2.213 20 0 GEADRO CCS[C@@H]1CC[C@H](N(C)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418623939 648305474 /nfs/dbraw/zinc/30/54/74/648305474.db2.gz YFUCFHKSLXSOGD-MJBXVCDLSA-N 1 0 382.496 2.138 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418634951 648305980 /nfs/dbraw/zinc/30/59/80/648305980.db2.gz GKXQXZLYZAJOEX-INIZCTEOSA-N 1 0 396.329 2.209 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418634517 648306177 /nfs/dbraw/zinc/30/61/77/648306177.db2.gz FRJJJALDRAVDER-MRXNPFEDSA-N 1 0 396.329 2.209 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000418671655 648306948 /nfs/dbraw/zinc/30/69/48/648306948.db2.gz LHVHORJQENZNJU-WFASDCNBSA-N 1 0 397.317 2.149 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000418699404 648307679 /nfs/dbraw/zinc/30/76/79/648307679.db2.gz IOGKQAUWNJYIDB-ABAIWWIYSA-N 1 0 388.306 2.260 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418707129 648307994 /nfs/dbraw/zinc/30/79/94/648307994.db2.gz PGRQIQOGPFPYQB-AAEUAGOBSA-N 1 0 390.297 2.166 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000418760834 648310106 /nfs/dbraw/zinc/31/01/06/648310106.db2.gz JULOUXLAESKMFT-DIOULYMOSA-N 1 0 377.897 2.413 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000418768418 648310898 /nfs/dbraw/zinc/31/08/98/648310898.db2.gz SBAMNIRIYMYDPI-DYVFJYSZSA-N 1 0 376.551 2.370 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418768607 648310976 /nfs/dbraw/zinc/31/09/76/648310976.db2.gz PECPRNXQURVQNT-UONOGXRCSA-N 1 0 382.302 2.284 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418775018 648311673 /nfs/dbraw/zinc/31/16/73/648311673.db2.gz RVOCEDUHXNBFHF-RDJZCZTQSA-N 1 0 398.345 2.432 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418791681 648313057 /nfs/dbraw/zinc/31/30/57/648313057.db2.gz MVJIJTBPLJGBSM-RRCSTGOVSA-N 1 0 382.302 2.170 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000418799034 648313089 /nfs/dbraw/zinc/31/30/89/648313089.db2.gz VYBDXHXWGLUBCN-HRCADAONSA-N 1 0 398.345 2.335 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418830089 648315025 /nfs/dbraw/zinc/31/50/25/648315025.db2.gz JEVKOEOMQCWURT-KSYCFECVSA-N 1 0 394.313 2.150 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCCCC1 ZINC000418832592 648315440 /nfs/dbraw/zinc/31/54/40/648315440.db2.gz PVWNJAIEHYBFSA-DZGCQCFKSA-N 1 0 394.313 2.199 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000418838374 648315756 /nfs/dbraw/zinc/31/57/56/648315756.db2.gz VBHNJAKADFIATJ-UHOFOFEASA-N 1 0 394.313 2.009 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H]1C[NH3+] ZINC000418834633 648315824 /nfs/dbraw/zinc/31/58/24/648315824.db2.gz OXBXLKDCDBARAE-DANNLKNASA-N 1 0 394.313 2.007 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000418841729 648316492 /nfs/dbraw/zinc/31/64/92/648316492.db2.gz HOPWHCLYAFGJBX-BBRMVZONSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418843736 648316655 /nfs/dbraw/zinc/31/66/55/648316655.db2.gz KMROVVBWUPJRKI-UONOGXRCSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2cccc(Br)c2)C1 ZINC000418846706 648316997 /nfs/dbraw/zinc/31/69/97/648316997.db2.gz SMZPMFIWNMRIHD-NFAWXSAZSA-N 1 0 396.329 2.082 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)Cc1ccc(Cl)cc1Cl ZINC000418853938 648317787 /nfs/dbraw/zinc/31/77/87/648317787.db2.gz KGISZWXYEBFJEP-UKRRQHHQSA-N 1 0 386.323 2.484 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21)[C@H]1CCC[NH2+]C1 ZINC000418937838 648322931 /nfs/dbraw/zinc/32/29/31/648322931.db2.gz GKGSJYRFGZGBLQ-DETPVDSQSA-N 1 0 394.313 2.057 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418946095 648323765 /nfs/dbraw/zinc/32/37/65/648323765.db2.gz QWDOXVPZJPKFOD-HZPDHXFCSA-N 1 0 396.329 2.384 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418946865 648323976 /nfs/dbraw/zinc/32/39/76/648323976.db2.gz OZRTYCLXNTYMTG-JKSUJKDBSA-N 1 0 394.313 2.356 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)CCC1 ZINC000418957487 648325202 /nfs/dbraw/zinc/32/52/02/648325202.db2.gz ZVBAEBCSVYJPSB-HNNXBMFYSA-N 1 0 394.313 2.404 20 0 GEADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418967011 648325968 /nfs/dbraw/zinc/32/59/68/648325968.db2.gz OSFHBHIWZULQTN-LBPRGKRZSA-N 1 0 383.279 2.002 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000418966103 648326086 /nfs/dbraw/zinc/32/60/86/648326086.db2.gz MVWFCMOAQSQJLA-LBPRGKRZSA-N 1 0 383.279 2.083 20 0 GEADRO Cc1sc([C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000418977673 648326421 /nfs/dbraw/zinc/32/64/21/648326421.db2.gz WENJAYCMLIDQJT-UWVGGRQHSA-N 1 0 380.901 2.413 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000418994298 648327004 /nfs/dbraw/zinc/32/70/04/648327004.db2.gz QBMJCTPGBQGZPH-UKRRQHHQSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419015318 648327160 /nfs/dbraw/zinc/32/71/60/648327160.db2.gz BNGUUCWOLSEHAR-DZGCQCFKSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419016591 648327534 /nfs/dbraw/zinc/32/75/34/648327534.db2.gz FEKUYUYMJZAZKM-ZDUSSCGKSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419017571 648327647 /nfs/dbraw/zinc/32/76/47/648327647.db2.gz GJCBSUADXOTNHY-DAXOMENPSA-N 1 0 396.329 2.273 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419016570 648327687 /nfs/dbraw/zinc/32/76/87/648327687.db2.gz DXDZKFYLJGJJHI-ZENOOKHLSA-N 1 0 396.329 2.143 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419016569 648327699 /nfs/dbraw/zinc/32/76/99/648327699.db2.gz DXDZKFYLJGJJHI-XJKCOSOUSA-N 1 0 396.329 2.143 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419023673 648328368 /nfs/dbraw/zinc/32/83/68/648328368.db2.gz OZLLSLCBYLLZMR-MCIONIFRSA-N 1 0 396.329 2.095 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NCC([NH3+])(CC)CC)c1nc(C(F)(F)F)cs1 ZINC000419040178 648329046 /nfs/dbraw/zinc/32/90/46/648329046.db2.gz IDCKLEVIUQWEOS-SECBINFHSA-N 1 0 380.436 2.363 20 0 GEADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)C(=O)NC1CC[NH2+]CC1 ZINC000419034694 648329053 /nfs/dbraw/zinc/32/90/53/648329053.db2.gz DTMWYPLUAUCRDW-UHFFFAOYSA-N 1 0 394.686 2.010 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000419045950 648329856 /nfs/dbraw/zinc/32/98/56/648329856.db2.gz UULSXBGHNZSKGZ-NXEZZACHSA-N 1 0 380.436 2.171 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419052147 648330386 /nfs/dbraw/zinc/33/03/86/648330386.db2.gz HNOAJEXNBLSLQA-KCQAQPDRSA-N 1 0 396.329 2.095 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419052149 648330409 /nfs/dbraw/zinc/33/04/09/648330409.db2.gz HNOAJEXNBLSLQA-VNHYZAJKSA-N 1 0 396.329 2.095 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419049169 648330449 /nfs/dbraw/zinc/33/04/49/648330449.db2.gz BFXIBLIHQFBPPS-UKRRQHHQSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419052388 648330741 /nfs/dbraw/zinc/33/07/41/648330741.db2.gz HSOYVYLINYKDSP-SCLBCKFNSA-N 1 0 396.329 2.002 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](CC)Cc1ccccc1Br ZINC000419054399 648330817 /nfs/dbraw/zinc/33/08/17/648330817.db2.gz LXRMANUGDRLSDB-OCCSQVGLSA-N 1 0 384.318 2.001 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419057302 648331552 /nfs/dbraw/zinc/33/15/52/648331552.db2.gz UHGYXWBDCCYMLA-IPYPFGDCSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419060719 648331862 /nfs/dbraw/zinc/33/18/62/648331862.db2.gz ZUAHAJXMQBLEJU-ZIAGYGMSSA-N 1 0 396.329 2.002 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000419063237 648332184 /nfs/dbraw/zinc/33/21/84/648332184.db2.gz GNEKBCQMLKFHNS-DOMZBBRYSA-N 1 0 382.302 2.007 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2cc(C)ccc2Br)CC1 ZINC000419061837 648332218 /nfs/dbraw/zinc/33/22/18/648332218.db2.gz DWUNYSIHQBPKIA-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419067699 648332242 /nfs/dbraw/zinc/33/22/42/648332242.db2.gz RXWUUUBFVJQJBO-GJZGRUSLSA-N 1 0 396.329 2.145 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419074482 648332538 /nfs/dbraw/zinc/33/25/38/648332538.db2.gz DXKKUSUERLDPBN-OAHLLOKOSA-N 1 0 396.329 2.087 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419071928 648332619 /nfs/dbraw/zinc/33/26/19/648332619.db2.gz XAHOYXPAASFRFL-CQSZACIVSA-N 1 0 396.329 2.145 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)[C@@H]1C[NH3+] ZINC000419098364 648333780 /nfs/dbraw/zinc/33/37/80/648333780.db2.gz GVVKUTOSRSXSLW-GXFFZTMASA-N 1 0 380.901 2.152 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419101675 648334216 /nfs/dbraw/zinc/33/42/16/648334216.db2.gz XNWQAYWPIKLQQK-CQSZACIVSA-N 1 0 392.352 2.442 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCc4c3ccc(Cl)c4Cl)C[C@H]12 ZINC000419107452 648334516 /nfs/dbraw/zinc/33/45/16/648334516.db2.gz WVHJTPDFPAHPNO-OCCNTAHWSA-N 1 0 382.291 2.293 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C[C@H]1C[NH3+] ZINC000419106798 648334671 /nfs/dbraw/zinc/33/46/71/648334671.db2.gz OXSHPDJLZNSOGU-WDEREUQCSA-N 1 0 380.901 2.009 20 0 GEADRO O=c1c2cccc(I)c2ncn1CC[NH+]1CCCCC1 ZINC000419116177 648335022 /nfs/dbraw/zinc/33/50/22/648335022.db2.gz OQLRDEXLGSVJEF-UHFFFAOYSA-N 1 0 383.233 2.487 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419112524 648335075 /nfs/dbraw/zinc/33/50/75/648335075.db2.gz VEKRAXVDEWWVCY-GFCCVEGCSA-N 1 0 382.917 2.398 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419125536 648335476 /nfs/dbraw/zinc/33/54/76/648335476.db2.gz JWZWDIQSXKLBAK-HOTGVXAUSA-N 1 0 377.897 2.427 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419132091 648336209 /nfs/dbraw/zinc/33/62/09/648336209.db2.gz AWOLAJDFFCJGAP-OAHLLOKOSA-N 1 0 382.302 2.007 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419133907 648336367 /nfs/dbraw/zinc/33/63/67/648336367.db2.gz JCISVMKLHAVLTK-STQMWFEESA-N 1 0 388.295 2.265 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419134303 648336723 /nfs/dbraw/zinc/33/67/23/648336723.db2.gz JTWRSZOXTFCPHI-NWDGAFQWSA-N 1 0 388.295 2.074 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2Cl)CC1 ZINC000419135219 648336753 /nfs/dbraw/zinc/33/67/53/648336753.db2.gz MBXUZIIPBVSPSA-UHFFFAOYSA-N 1 0 388.693 2.105 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419135388 648336802 /nfs/dbraw/zinc/33/68/02/648336802.db2.gz MKAYYSSGVZZLRI-CYBMUJFWSA-N 1 0 388.295 2.089 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1)C1CC1 ZINC000419151068 648337202 /nfs/dbraw/zinc/33/72/02/648337202.db2.gz LYJUWPZDZLDQBF-OAHLLOKOSA-N 1 0 384.307 2.385 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 ZINC000419144285 648337216 /nfs/dbraw/zinc/33/72/16/648337216.db2.gz ZYZCUUQDLRIKFF-UHFFFAOYSA-N 1 0 388.295 2.089 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Br)cc1 ZINC000419153704 648337467 /nfs/dbraw/zinc/33/74/67/648337467.db2.gz PZPCOWWSPDXZBB-DLKVLKDVSA-N 1 0 394.313 2.212 20 0 GEADRO CCCN(C(=O)C(=O)NCc1cc(Br)ccc1C)C1CC[NH2+]CC1 ZINC000419162394 648338841 /nfs/dbraw/zinc/33/88/41/648338841.db2.gz HEGDJYRPYSAGDZ-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419193667 648340570 /nfs/dbraw/zinc/34/05/70/648340570.db2.gz UXOUONLQSWSLHE-CYBMUJFWSA-N 1 0 398.345 2.477 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000419189186 648340618 /nfs/dbraw/zinc/34/06/18/648340618.db2.gz PFMXDBUFFRCFCH-CHWSQXEVSA-N 1 0 396.329 2.039 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419193668 648340689 /nfs/dbraw/zinc/34/06/89/648340689.db2.gz UXOUONLQSWSLHE-ZDUSSCGKSA-N 1 0 398.345 2.477 20 0 GEADRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419195180 648341124 /nfs/dbraw/zinc/34/11/24/648341124.db2.gz RDLVIWWNZURNHN-KRWDZBQOSA-N 1 0 380.897 2.190 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419243528 648342721 /nfs/dbraw/zinc/34/27/21/648342721.db2.gz UJEJMKMFVTXMDF-IUODEOHRSA-N 1 0 381.929 2.499 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419303481 648346058 /nfs/dbraw/zinc/34/60/58/648346058.db2.gz RZPVBLITUUFSES-ZDUSSCGKSA-N 1 0 396.329 2.268 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419300801 648346141 /nfs/dbraw/zinc/34/61/41/648346141.db2.gz MOPMCYNCAKJUQO-CQSZACIVSA-N 1 0 396.329 2.188 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419305807 648346650 /nfs/dbraw/zinc/34/66/50/648346650.db2.gz XHRGVLFSFUSXSQ-FZMZJTMJSA-N 1 0 396.329 2.125 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000419322144 648347000 /nfs/dbraw/zinc/34/70/00/648347000.db2.gz GYPCZOOBOMQRPV-STQMWFEESA-N 1 0 395.301 2.386 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nnc(-c2ccccc2Br)o1 ZINC000419330121 648347668 /nfs/dbraw/zinc/34/76/68/648347668.db2.gz QKNXERSBNVIWDX-QWHCGFSZSA-N 1 0 395.301 2.386 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000419327419 648347819 /nfs/dbraw/zinc/34/78/19/648347819.db2.gz CXDKVAGOQVAENA-ZIAGYGMSSA-N 1 0 388.339 2.339 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1c(Cl)ccc(F)c1Cl ZINC000419333121 648348236 /nfs/dbraw/zinc/34/82/36/648348236.db2.gz IJDKZEYYTOMUFK-GARJFASQSA-N 1 0 388.270 2.378 20 0 GEADRO C[C@@H]1CN(CCOc2cc(F)cc(Br)c2)[C@@H](C)C[N@@H+]1CCO ZINC000419346746 648348718 /nfs/dbraw/zinc/34/87/18/648348718.db2.gz VVJBVGGIBZSZOZ-OLZOCXBDSA-N 1 0 375.282 2.354 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cc(F)ccc1Br ZINC000419416922 648351567 /nfs/dbraw/zinc/35/15/67/648351567.db2.gz AIRZGNNDOGTKGI-RYUDHWBXSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000419508601 648355278 /nfs/dbraw/zinc/35/52/78/648355278.db2.gz CZDOJDXNKKJSMP-OLZOCXBDSA-N 1 0 396.329 2.052 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419585915 648357011 /nfs/dbraw/zinc/35/70/11/648357011.db2.gz KYBGXDKRACMFBJ-IAQYHMDHSA-N 1 0 382.302 2.042 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)C1 ZINC000419604451 648357873 /nfs/dbraw/zinc/35/78/73/648357873.db2.gz ZNTIMIGGTGFQEC-STQMWFEESA-N 1 0 386.323 2.499 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)C1 ZINC000419604448 648357884 /nfs/dbraw/zinc/35/78/84/648357884.db2.gz ZNTIMIGGTGFQEC-CHWSQXEVSA-N 1 0 386.323 2.499 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc(Cl)sc3Cl)C[C@H]21 ZINC000419618348 648358453 /nfs/dbraw/zinc/35/84/53/648358453.db2.gz BSMPPUDKKDDMHV-JMJZKYOTSA-N 1 0 376.309 2.257 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCc2cccc(Br)c2)CCCCCC1 ZINC000419635063 648358949 /nfs/dbraw/zinc/35/89/49/648358949.db2.gz FVMIZZZNJGBZIT-UHFFFAOYSA-N 1 0 382.302 2.233 20 0 GEADRO C[C@]1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO[C@@H]1C1CC1 ZINC000419683388 648364535 /nfs/dbraw/zinc/36/45/35/648364535.db2.gz KPRDJWQOUOJRKJ-CABCVRRESA-N 1 0 389.315 2.144 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1c(Cl)cccc1Cl ZINC000419694768 648366094 /nfs/dbraw/zinc/36/60/94/648366094.db2.gz LJSTYZMZDYIGKL-RISCZKNCSA-N 1 0 384.307 2.208 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1ccc(Br)s1 ZINC000419703554 648367473 /nfs/dbraw/zinc/36/74/73/648367473.db2.gz GCPMZCLCMBFSOC-SECBINFHSA-N 1 0 376.320 2.131 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cnc(N(C)C)n2C)cc1Br ZINC000419714894 648370321 /nfs/dbraw/zinc/37/03/21/648370321.db2.gz UVMFINCCCCMJEX-HNNXBMFYSA-N 1 0 395.345 2.498 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000419717044 648370978 /nfs/dbraw/zinc/37/09/78/648370978.db2.gz UNRFSMDITGOUHC-GHMZBOCLSA-N 1 0 388.331 2.288 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000419727894 648371171 /nfs/dbraw/zinc/37/11/71/648371171.db2.gz MFLJKPQRNJQIDH-GWCFXTLKSA-N 1 0 386.279 2.049 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000419729963 648371993 /nfs/dbraw/zinc/37/19/93/648371993.db2.gz PEHYVTFHYLVHCY-KWBADKCTSA-N 1 0 386.279 2.129 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419755202 648375368 /nfs/dbraw/zinc/37/53/68/648375368.db2.gz CNPRPFVMHSMNJV-QMMMGPOBSA-N 1 0 396.221 2.031 20 0 GEADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419760415 648375739 /nfs/dbraw/zinc/37/57/39/648375739.db2.gz NYXWAPDSKHSWNK-SNVBAGLBSA-N 1 0 396.221 2.079 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000419778068 648377862 /nfs/dbraw/zinc/37/78/62/648377862.db2.gz MAOGCHADWKVQDQ-LKFCYVNXSA-N 1 0 386.265 2.009 20 0 GEADRO O=C(N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419784129 648378601 /nfs/dbraw/zinc/37/86/01/648378601.db2.gz UGVINDJQFKQDQE-GJZGRUSLSA-N 1 0 398.276 2.024 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000419801114 648379503 /nfs/dbraw/zinc/37/95/03/648379503.db2.gz APMHQUDIXJDUNU-DOMZBBRYSA-N 1 0 396.329 2.039 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419801878 648379609 /nfs/dbraw/zinc/37/96/09/648379609.db2.gz AXWOXKMNCCDVCO-DZGCQCFKSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000419819038 648381854 /nfs/dbraw/zinc/38/18/54/648381854.db2.gz MXDUKEYVXVWZEP-STQMWFEESA-N 1 0 396.329 2.052 20 0 GEADRO Cc1cc(C2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)ccc1Br ZINC000419827247 648383098 /nfs/dbraw/zinc/38/30/98/648383098.db2.gz DWQKWLPJYLVYGV-UHFFFAOYSA-N 1 0 396.329 2.319 20 0 GEADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000419828502 648383128 /nfs/dbraw/zinc/38/31/28/648383128.db2.gz RXXACGUFVHMFCZ-ZIAGYGMSSA-N 1 0 376.291 2.468 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000419830405 648383253 /nfs/dbraw/zinc/38/32/53/648383253.db2.gz VZFWMQKAJQQIHP-STQMWFEESA-N 1 0 396.329 2.052 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000419832014 648383743 /nfs/dbraw/zinc/38/37/43/648383743.db2.gz IQNFLWOUHFKTPT-UHFFFAOYSA-N 1 0 382.302 2.185 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000419837480 648384356 /nfs/dbraw/zinc/38/43/56/648384356.db2.gz CYURFZSHQHBSLP-BLLLJJGKSA-N 1 0 375.519 2.152 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000419840416 648384447 /nfs/dbraw/zinc/38/44/47/648384447.db2.gz IVNLZZCUXLAXDJ-DOMZBBRYSA-N 1 0 398.276 2.120 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)NC1CC[NH2+]CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000419845419 648384833 /nfs/dbraw/zinc/38/48/33/648384833.db2.gz DZNQMHODGHNVHS-LLVKDONJSA-N 1 0 388.295 2.087 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419845920 648384862 /nfs/dbraw/zinc/38/48/62/648384862.db2.gz OXBOURJHVLNBIW-UHFFFAOYSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419859025 648385921 /nfs/dbraw/zinc/38/59/21/648385921.db2.gz XUUAXKBMTCQQFQ-LBPRGKRZSA-N 1 0 394.313 2.153 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419910791 648388147 /nfs/dbraw/zinc/38/81/47/648388147.db2.gz IRDSHGFOMXJPGK-OLZOCXBDSA-N 1 0 382.302 2.084 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419910793 648388269 /nfs/dbraw/zinc/38/82/69/648388269.db2.gz IRDSHGFOMXJPGK-STQMWFEESA-N 1 0 382.302 2.084 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000419915011 648388270 /nfs/dbraw/zinc/38/82/70/648388270.db2.gz OWTIWEBFPLZPJQ-CQSZACIVSA-N 1 0 377.535 2.454 20 0 GEADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000419929862 648389438 /nfs/dbraw/zinc/38/94/38/648389438.db2.gz WTYMCGIAECAGPZ-UHFFFAOYSA-N 1 0 382.291 2.335 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419932443 648389826 /nfs/dbraw/zinc/38/98/26/648389826.db2.gz DORQUIDBXOCWJC-DOMZBBRYSA-N 1 0 382.302 2.084 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000419935732 648389923 /nfs/dbraw/zinc/38/99/23/648389923.db2.gz SIDVAMCRSHLLOW-OAHLLOKOSA-N 1 0 388.295 2.009 20 0 GEADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419942538 648390333 /nfs/dbraw/zinc/39/03/33/648390333.db2.gz HIDXMMQESKCMNT-OAHLLOKOSA-N 1 0 394.313 2.198 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419946881 648390696 /nfs/dbraw/zinc/39/06/96/648390696.db2.gz VSXVOKLDAYEEAX-YPMHNXCESA-N 1 0 388.295 2.074 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419952179 648391027 /nfs/dbraw/zinc/39/10/27/648391027.db2.gz ONFILYOWBUZBCZ-GXTWGEPZSA-N 1 0 396.329 2.084 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419952185 648391123 /nfs/dbraw/zinc/39/11/23/648391123.db2.gz ONFILYOWBUZBCZ-TZMCWYRMSA-N 1 0 396.329 2.084 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H](C)c1ccccc1Br ZINC000419966006 648391496 /nfs/dbraw/zinc/39/14/96/648391496.db2.gz XWRZCJIGCQOODO-OLZOCXBDSA-N 1 0 384.318 2.458 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419974618 648392497 /nfs/dbraw/zinc/39/24/97/648392497.db2.gz IPLPHJKEXTYNDK-CQSZACIVSA-N 1 0 384.318 2.287 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419985710 648392905 /nfs/dbraw/zinc/39/29/05/648392905.db2.gz WDIBMRGWQNAMSL-WFASDCNBSA-N 1 0 388.295 2.073 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419991624 648393755 /nfs/dbraw/zinc/39/37/55/648393755.db2.gz GZTWOHGJFUPYSU-IAQYHMDHSA-N 1 0 390.311 2.319 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419998892 648394535 /nfs/dbraw/zinc/39/45/35/648394535.db2.gz NPXVSFBLWYLYTB-LSDHHAIUSA-N 1 0 382.302 2.212 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1cc(Cl)ccc1Br ZINC000420010290 648395534 /nfs/dbraw/zinc/39/55/34/648395534.db2.gz GSPJHGCZGXYKBI-HNNXBMFYSA-N 1 0 377.710 2.464 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000420053911 648398273 /nfs/dbraw/zinc/39/82/73/648398273.db2.gz DYIQLGAREPBIOY-XJKSGUPXSA-N 1 0 375.519 2.137 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000420076363 648400031 /nfs/dbraw/zinc/40/00/31/648400031.db2.gz LZQOXGYKLGZIQU-UHFFFAOYSA-N 1 0 382.302 2.009 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000420109408 648401992 /nfs/dbraw/zinc/40/19/92/648401992.db2.gz DPYWDTNNBHYEJU-DAXOMENPSA-N 1 0 381.929 2.071 20 0 GEADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(Br)o2)cc1 ZINC000420119636 648402824 /nfs/dbraw/zinc/40/28/24/648402824.db2.gz JJXZQNGXFMRFBY-LLVKDONJSA-N 1 0 394.269 2.337 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000420122785 648403236 /nfs/dbraw/zinc/40/32/36/648403236.db2.gz MZGCKLHHCAZMSO-ZDUSSCGKSA-N 1 0 388.281 2.180 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(CC)Cc1ccccc1Br ZINC000420132440 648404341 /nfs/dbraw/zinc/40/43/41/648404341.db2.gz YEGABXCDGTVDAK-CQSZACIVSA-N 1 0 384.318 2.431 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000420136569 648404987 /nfs/dbraw/zinc/40/49/87/648404987.db2.gz FTNMLAPNGSJGDC-CYBMUJFWSA-N 1 0 396.329 2.053 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000420167379 648407132 /nfs/dbraw/zinc/40/71/32/648407132.db2.gz RFWQIOJSVOGORR-UHFFFAOYSA-N 1 0 382.291 2.304 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420183800 648408244 /nfs/dbraw/zinc/40/82/44/648408244.db2.gz AHGPWKQEWRCHBD-ZFWWWQNUSA-N 1 0 396.329 2.431 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420194491 648408854 /nfs/dbraw/zinc/40/88/54/648408854.db2.gz JNVJSELFLOMEJS-HOCLYGCPSA-N 1 0 396.329 2.430 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420212257 648409741 /nfs/dbraw/zinc/40/97/41/648409741.db2.gz UCVDYPBYDPMFMB-JHJVBQTASA-N 1 0 394.313 2.138 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000420240643 648410584 /nfs/dbraw/zinc/41/05/84/648410584.db2.gz KJFJLLQJIDZFNC-LBPRGKRZSA-N 1 0 394.310 2.426 20 0 GEADRO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1ccc(I)cc1 ZINC000420348500 648413454 /nfs/dbraw/zinc/41/34/54/648413454.db2.gz MCDHPWYSMBBBOD-OKILXGFUSA-N 1 0 385.249 2.056 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NCCS(=O)(=O)c1ccc(Br)cc1 ZINC000420361188 648414094 /nfs/dbraw/zinc/41/40/94/648414094.db2.gz LULSMQQRVFLDRT-CQSZACIVSA-N 1 0 375.332 2.201 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000420352384 648414099 /nfs/dbraw/zinc/41/40/99/648414099.db2.gz ALCOVGIJBUHQTA-INIZCTEOSA-N 1 0 387.933 2.179 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NCCS(=O)(=O)c1ccc(Br)cc1 ZINC000420361184 648414138 /nfs/dbraw/zinc/41/41/38/648414138.db2.gz LULSMQQRVFLDRT-AWEZNQCLSA-N 1 0 375.332 2.201 20 0 GEADRO COc1cc(Br)c(OCCN(C)CC[NH3+])cc1Br ZINC000420389407 648415082 /nfs/dbraw/zinc/41/50/82/648415082.db2.gz YHOHGGLYLZUHIO-UHFFFAOYSA-N 1 0 382.096 2.490 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1C(F)(F)F ZINC000420443070 648416358 /nfs/dbraw/zinc/41/63/58/648416358.db2.gz ACFKHFRYKJBGLJ-GFCCVEGCSA-N 1 0 382.404 2.144 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1C(F)(F)F ZINC000420443071 648416455 /nfs/dbraw/zinc/41/64/55/648416455.db2.gz ACFKHFRYKJBGLJ-LBPRGKRZSA-N 1 0 382.404 2.144 20 0 GEADRO O=C(CN1CC[C@@]2(CCC[NH2+]2)C1)Nc1cccc(I)c1 ZINC000420411666 648416490 /nfs/dbraw/zinc/41/64/90/648416490.db2.gz XVRIXRVNDTWDCY-HNNXBMFYSA-N 1 0 385.249 2.058 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420408227 648416533 /nfs/dbraw/zinc/41/65/33/648416533.db2.gz UEXJBLVSACGDRO-WBMJQRKESA-N 1 0 399.276 2.446 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CCCO1 ZINC000420470191 648419304 /nfs/dbraw/zinc/41/93/04/648419304.db2.gz LQFFPNWPQZWILL-HNNXBMFYSA-N 1 0 399.310 2.341 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000420693653 648436805 /nfs/dbraw/zinc/43/68/05/648436805.db2.gz USILHUFYTVGQFF-CMPLNLGQSA-N 1 0 384.445 2.093 20 0 GEADRO CN(C(=O)C(=O)NCc1cccs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000420693471 648436881 /nfs/dbraw/zinc/43/68/81/648436881.db2.gz UPZRIIHDCYWGCT-UHFFFAOYSA-N 1 0 377.432 2.240 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCc1ccccc1Br ZINC000420737808 648445671 /nfs/dbraw/zinc/44/56/71/648445671.db2.gz MXGHVEWIAYQRNS-AWEZNQCLSA-N 1 0 375.332 2.347 20 0 GEADRO CC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000420986187 648461930 /nfs/dbraw/zinc/46/19/30/648461930.db2.gz MEKIWMZEUUPQPM-QWHCGFSZSA-N 1 0 391.693 2.053 20 0 GEADRO COC1([C@H](C)[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000421042834 648462975 /nfs/dbraw/zinc/46/29/75/648462975.db2.gz ZRNUZIMQLYREBY-DZGCQCFKSA-N 1 0 388.302 2.363 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCc3c2cccc3Br)CC[N@@H+]1C ZINC000421224397 648473466 /nfs/dbraw/zinc/47/34/66/648473466.db2.gz LFAJJYAEVLDATQ-QWHCGFSZSA-N 1 0 394.313 2.279 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000421298063 648485630 /nfs/dbraw/zinc/48/56/30/648485630.db2.gz MGDUIVBHYCRDAC-SECBINFHSA-N 1 0 390.228 2.218 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000421303973 648486628 /nfs/dbraw/zinc/48/66/28/648486628.db2.gz SUPMFLRLGLLWDE-LLVKDONJSA-N 1 0 375.803 2.433 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000421302285 648486789 /nfs/dbraw/zinc/48/67/89/648486789.db2.gz QQKGCFBJFVTNBJ-SNVBAGLBSA-N 1 0 390.228 2.218 20 0 GEADRO CCOc1c(Br)cc(C[N@H+](C[C@@H](O)CO)C(C)C)cc1OC ZINC000421413154 648491164 /nfs/dbraw/zinc/49/11/64/648491164.db2.gz VQWWWIUOEKYNOE-CYBMUJFWSA-N 1 0 376.291 2.420 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000421526153 648495780 /nfs/dbraw/zinc/49/57/80/648495780.db2.gz WGMGSWURPMETDQ-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000421699441 648505168 /nfs/dbraw/zinc/50/51/68/648505168.db2.gz BBEVTVKTICWENM-UONOGXRCSA-N 1 0 394.313 2.355 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000421701709 648505491 /nfs/dbraw/zinc/50/54/91/648505491.db2.gz IHXWNIWNFGPQJH-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422130567 648524944 /nfs/dbraw/zinc/52/49/44/648524944.db2.gz GPXXVGIEMMRXBO-MRXNPFEDSA-N 1 0 396.329 2.003 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2cccc(Br)c2)CC[N@@H+]1C ZINC000422481801 648550206 /nfs/dbraw/zinc/55/02/06/648550206.db2.gz XPCKELKQUNFJBA-CJNGLKHVSA-N 1 0 396.329 2.049 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000422512202 648554100 /nfs/dbraw/zinc/55/41/00/648554100.db2.gz DOJJCRUQLYBNLD-OAHLLOKOSA-N 1 0 394.313 2.069 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000422515965 648555070 /nfs/dbraw/zinc/55/50/70/648555070.db2.gz IXTZTBZUAAVVBN-UHFFFAOYSA-N 1 0 396.329 2.363 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(Br)c1 ZINC000422552784 648558810 /nfs/dbraw/zinc/55/88/10/648558810.db2.gz IHFPOPVFGAMJSR-SRVKXCTJSA-N 1 0 391.331 2.452 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OC ZINC000422556727 648559005 /nfs/dbraw/zinc/55/90/05/648559005.db2.gz UKVREFBNEIJWBY-UTUOFQBUSA-N 1 0 376.906 2.351 20 0 GEADRO FC(F)(F)c1cnc(OCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)c(Cl)c1 ZINC000422925899 648577239 /nfs/dbraw/zinc/57/72/39/648577239.db2.gz VUHSHBNYAYOKCU-ZIAGYGMSSA-N 1 0 379.810 2.489 20 0 GEADRO COc1ccc(Br)cc1CN(C)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000422931578 648577701 /nfs/dbraw/zinc/57/77/01/648577701.db2.gz XWKKDCFUUDBDPL-UHFFFAOYSA-N 1 0 396.289 2.060 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]([NH3+])C3CCC3)n2)cc1 ZINC000422933466 648577740 /nfs/dbraw/zinc/57/77/40/648577740.db2.gz HTVAGIZQXGYDNR-AWEZNQCLSA-N 1 0 380.495 2.248 20 0 GEADRO C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000422926957 648577779 /nfs/dbraw/zinc/57/77/79/648577779.db2.gz FHEMDMVUPXUUFA-SWLSCSKDSA-N 1 0 385.917 2.451 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000422957002 648578965 /nfs/dbraw/zinc/57/89/65/648578965.db2.gz RWLWWCFTXWOFJJ-SJLPKXTDSA-N 1 0 396.329 2.443 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422970328 648579220 /nfs/dbraw/zinc/57/92/20/648579220.db2.gz GAWQPNZWHOGHSX-BBRMVZONSA-N 1 0 396.329 2.084 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000422989564 648579946 /nfs/dbraw/zinc/57/99/46/648579946.db2.gz LSKZENFDNVIVTK-UHFFFAOYSA-N 1 0 380.290 2.440 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423109816 648580799 /nfs/dbraw/zinc/58/07/99/648580799.db2.gz UZWDJUSJUQDLCZ-UHFFFAOYSA-N 1 0 396.329 2.383 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)N(Cc1cc(Br)ccc1F)C(C)C ZINC000423111287 648581592 /nfs/dbraw/zinc/58/15/92/648581592.db2.gz IQZFUESELYDDQV-UHFFFAOYSA-N 1 0 388.281 2.003 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc(Br)cc2)C(C)C)C1 ZINC000423113526 648582059 /nfs/dbraw/zinc/58/20/59/648582059.db2.gz YJWURFWGANVYBZ-MRXNPFEDSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCOc1ccc(I)cc1 ZINC000423117101 648582473 /nfs/dbraw/zinc/58/24/73/648582473.db2.gz SZNQRKIBCOHCHB-GXTWGEPZSA-N 1 0 390.265 2.027 20 0 GEADRO C[C@H](C[C@H]1COCCN1)[NH2+]CCOc1ccc(I)cc1 ZINC000423117103 648582480 /nfs/dbraw/zinc/58/24/80/648582480.db2.gz SZNQRKIBCOHCHB-OCCSQVGLSA-N 1 0 390.265 2.027 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c(F)cc1F ZINC000423122478 648582965 /nfs/dbraw/zinc/58/29/65/648582965.db2.gz CJYIKPFYAXCZLC-MEBBXXQBSA-N 1 0 375.441 2.443 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423121782 648583008 /nfs/dbraw/zinc/58/30/08/648583008.db2.gz IWWGEBPHVCDIMC-ZIAGYGMSSA-N 1 0 396.329 2.383 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000423122864 648583011 /nfs/dbraw/zinc/58/30/11/648583011.db2.gz LIBADBLNGDVDLJ-CQSZACIVSA-N 1 0 382.302 2.073 20 0 GEADRO C[C@H]1CC[NH2+][C@H](C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000423129924 648583345 /nfs/dbraw/zinc/58/33/45/648583345.db2.gz RIQAUTZQDIZDAW-WFASDCNBSA-N 1 0 382.302 2.073 20 0 GEADRO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)Sc1ccc(Br)cc1 ZINC000423191512 648587329 /nfs/dbraw/zinc/58/73/29/648587329.db2.gz UJFQINNHPNFXKS-LLVKDONJSA-N 1 0 398.330 2.300 20 0 GEADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423224527 648587606 /nfs/dbraw/zinc/58/76/06/648587606.db2.gz CIEKIQYBBQHQEN-UHFFFAOYSA-N 1 0 392.301 2.193 20 0 GEADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423196296 648587886 /nfs/dbraw/zinc/58/78/86/648587886.db2.gz ZHIFBSCDTBCRPM-ZIAGYGMSSA-N 1 0 384.307 2.410 20 0 GEADRO CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000423279133 648589019 /nfs/dbraw/zinc/58/90/19/648589019.db2.gz SEHWWYPUBIDPPN-DGCLKSJQSA-N 1 0 398.326 2.004 20 0 GEADRO CCn1ccnc1[C@H](NCC1C[NH2+]C1)c1ccc(I)cc1 ZINC000423303179 648589364 /nfs/dbraw/zinc/58/93/64/648589364.db2.gz LFMLERHJJUCXEZ-OAHLLOKOSA-N 1 0 396.276 2.406 20 0 GEADRO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)cc1F ZINC000423376660 648590048 /nfs/dbraw/zinc/59/00/48/648590048.db2.gz DWPSINCTFUTHAI-SKDRFNHKSA-N 1 0 399.230 2.470 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000423359426 648590091 /nfs/dbraw/zinc/59/00/91/648590091.db2.gz KKQOBZXWUKNZMI-HOTGVXAUSA-N 1 0 381.929 2.167 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423423093 648590484 /nfs/dbraw/zinc/59/04/84/648590484.db2.gz KSHODQLAXZVSKP-GUYCJALGSA-N 1 0 376.298 2.476 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000423459119 648591315 /nfs/dbraw/zinc/59/13/15/648591315.db2.gz HREUACBDUDSASF-NWDGAFQWSA-N 1 0 388.295 2.169 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423464136 648591764 /nfs/dbraw/zinc/59/17/64/648591764.db2.gz BFDDOECXPZEOGJ-GFCCVEGCSA-N 1 0 394.313 2.092 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)C1 ZINC000423513519 648593755 /nfs/dbraw/zinc/59/37/55/648593755.db2.gz CEJZATCOGFBUAM-GDBMZVCRSA-N 1 0 394.313 2.241 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)C1 ZINC000423519842 648594194 /nfs/dbraw/zinc/59/41/94/648594194.db2.gz JMZAMRJXPNAIAU-XHDPSFHLSA-N 1 0 398.276 2.059 20 0 GEADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423550084 648594558 /nfs/dbraw/zinc/59/45/58/648594558.db2.gz DRZSFJCOECPDPX-GFCCVEGCSA-N 1 0 396.329 2.166 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423560728 648595568 /nfs/dbraw/zinc/59/55/68/648595568.db2.gz LKOAFBICGONUPO-YNEHKIRRSA-N 1 0 382.302 2.164 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423560044 648595639 /nfs/dbraw/zinc/59/56/39/648595639.db2.gz KRSYLUGXFCDSBR-HZSPNIEDSA-N 1 0 394.313 2.036 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC=C(c3cccc(Br)c3)CC2)C1 ZINC000423575664 648596436 /nfs/dbraw/zinc/59/64/36/648596436.db2.gz WIZNQXOLMPXZEY-INIZCTEOSA-N 1 0 392.297 2.015 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423580928 648596691 /nfs/dbraw/zinc/59/66/91/648596691.db2.gz UKRGTHUZRPPOIV-AWEZNQCLSA-N 1 0 394.313 2.062 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423588965 648596696 /nfs/dbraw/zinc/59/66/96/648596696.db2.gz DKNICGAZFNNPNW-HOCLYGCPSA-N 1 0 394.313 2.008 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423609314 648596855 /nfs/dbraw/zinc/59/68/55/648596855.db2.gz YONZPEDLBDDFTQ-AWEZNQCLSA-N 1 0 396.329 2.385 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423592269 648597083 /nfs/dbraw/zinc/59/70/83/648597083.db2.gz ICBAQWYTDWJYPT-UONOGXRCSA-N 1 0 396.329 2.383 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000423599845 648597107 /nfs/dbraw/zinc/59/71/07/648597107.db2.gz YMEHUKVXXDRRRE-GDBMZVCRSA-N 1 0 381.929 2.243 20 0 GEADRO CCCN(C(=O)C(=O)N(C)CCc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000423640308 648597517 /nfs/dbraw/zinc/59/75/17/648597517.db2.gz GOSRVHURGXPFJC-INIZCTEOSA-N 1 0 396.329 2.051 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423652006 648598133 /nfs/dbraw/zinc/59/81/33/648598133.db2.gz WUEVCZIMMVCNHT-CQDKDKBSSA-N 1 0 382.302 2.152 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423652008 648598185 /nfs/dbraw/zinc/59/81/85/648598185.db2.gz WUEVCZIMMVCNHT-GLQYFDAESA-N 1 0 382.302 2.152 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423660731 648598599 /nfs/dbraw/zinc/59/85/99/648598599.db2.gz AUWIRTPHMHLDAR-XEZPLFJOSA-N 1 0 381.929 2.229 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000423681085 648599327 /nfs/dbraw/zinc/59/93/27/648599327.db2.gz MWWIUPZLBKZWBQ-SWLSCSKDSA-N 1 0 382.302 2.136 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000423681082 648599424 /nfs/dbraw/zinc/59/94/24/648599424.db2.gz MWWIUPZLBKZWBQ-IUODEOHRSA-N 1 0 382.302 2.136 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000423688735 648599483 /nfs/dbraw/zinc/59/94/83/648599483.db2.gz XLTHNAVDOBIMTC-ZYHUDNBSSA-N 1 0 388.331 2.197 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423695499 648599786 /nfs/dbraw/zinc/59/97/86/648599786.db2.gz LGWCDGVEKRBNFW-MAUKXSAKSA-N 1 0 381.929 2.230 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423746884 648601360 /nfs/dbraw/zinc/60/13/60/648601360.db2.gz PWSXREHLKOEXSU-GHMZBOCLSA-N 1 0 389.315 2.018 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)[C@@H]1C[NH3+] ZINC000423743612 648601421 /nfs/dbraw/zinc/60/14/21/648601421.db2.gz VMMBJTAHOUWWAD-CZUORRHYSA-N 1 0 396.329 2.036 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CCC(c3cccc(Br)c3)CC2)nn1 ZINC000423844678 648602384 /nfs/dbraw/zinc/60/23/84/648602384.db2.gz NNNCGQXMXVROAG-UHFFFAOYSA-N 1 0 392.301 2.409 20 0 GEADRO CC(C)[C@@H](C(=O)NCCOc1ccc(I)cc1)[C@@H](C)[NH3+] ZINC000423846561 648602493 /nfs/dbraw/zinc/60/24/93/648602493.db2.gz LNXJAHYOQXXVLX-BXUZGUMPSA-N 1 0 390.265 2.406 20 0 GEADRO [NH3+]C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C1CCCC1 ZINC000423938018 648603635 /nfs/dbraw/zinc/60/36/35/648603635.db2.gz IGJORRRISHHAEO-HIFRSBDPSA-N 1 0 394.313 2.436 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CCCC1 ZINC000423960722 648605758 /nfs/dbraw/zinc/60/57/58/648605758.db2.gz NOFNZEUEVOSGEB-CVEARBPZSA-N 1 0 381.929 2.489 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000423985007 648606756 /nfs/dbraw/zinc/60/67/56/648606756.db2.gz PZXXMVQIWPQBTM-YMTOWFKASA-N 1 0 376.213 2.487 20 0 GEADRO C[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C[C@@]1(C)C[NH3+] ZINC000423984546 648606841 /nfs/dbraw/zinc/60/68/41/648606841.db2.gz PHFWEVMECLYGCU-SJKOYZFVSA-N 1 0 397.317 2.404 20 0 GEADRO Cc1c(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423979926 648606861 /nfs/dbraw/zinc/60/68/61/648606861.db2.gz CPLGBALRDSTUNI-PIGZYNQJSA-N 1 0 392.301 2.395 20 0 GEADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000423988324 648607545 /nfs/dbraw/zinc/60/75/45/648607545.db2.gz XLRZBRGYYUCTJY-KRWDZBQOSA-N 1 0 380.897 2.492 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C[C@H]1C[NH3+] ZINC000423998781 648607835 /nfs/dbraw/zinc/60/78/35/648607835.db2.gz AUBFJOCEHDZNHT-MGPQQGTHSA-N 1 0 394.313 2.245 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3c(F)cccc3Br)C2)nn1 ZINC000423999508 648607847 /nfs/dbraw/zinc/60/78/47/648607847.db2.gz KIBQAGSMLQTVIL-NSHDSACASA-N 1 0 382.237 2.116 20 0 GEADRO CN(CC[NH3+])C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000424000849 648608632 /nfs/dbraw/zinc/60/86/32/648608632.db2.gz GIDBTPFPSLJDRF-UHFFFAOYSA-N 1 0 380.539 2.316 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccc(Br)cc3F)C2)nn1 ZINC000424007137 648609212 /nfs/dbraw/zinc/60/92/12/648609212.db2.gz UZBDXQKBAZQPIS-GFCCVEGCSA-N 1 0 382.237 2.116 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000424009926 648609846 /nfs/dbraw/zinc/60/98/46/648609846.db2.gz ICNADPWKVARXRL-XGWLTEMNSA-N 1 0 396.329 2.460 20 0 GEADRO C[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000424081097 648611435 /nfs/dbraw/zinc/61/14/35/648611435.db2.gz WFNXTLKNKIYDTN-YRGRVCCFSA-N 1 0 382.302 2.011 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424126778 648614894 /nfs/dbraw/zinc/61/48/94/648614894.db2.gz BXQNBUOLKNMOAW-UHFFFAOYSA-N 1 0 376.425 2.302 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3ccc(Cl)cc3Br)C[C@H]2[NH3+])cn1 ZINC000424225853 648620430 /nfs/dbraw/zinc/62/04/30/648620430.db2.gz NOHDKGQSXVHOJX-GXTWGEPZSA-N 1 0 383.677 2.403 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3ccc(Br)c(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000424227822 648621137 /nfs/dbraw/zinc/62/11/37/648621137.db2.gz RLBIYFBIPDDLBN-SMDDNHRTSA-N 1 0 383.677 2.403 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000424451636 648628842 /nfs/dbraw/zinc/62/88/42/648628842.db2.gz FHOANUCKMWAJQH-ZIAGYGMSSA-N 1 0 383.290 2.347 20 0 GEADRO C[C@H]1CC2(CN1C(=O)C(=O)NCc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424484743 648631010 /nfs/dbraw/zinc/63/10/10/648631010.db2.gz AUQTVGIRROVMIH-ZDUSSCGKSA-N 1 0 394.313 2.056 20 0 GEADRO COc1ncc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Br ZINC000424728753 648642374 /nfs/dbraw/zinc/64/23/74/648642374.db2.gz BTHRUDFCMQGLLH-AEGPPILISA-N 1 0 398.301 2.176 20 0 GEADRO COCC(C)(C)[NH+]1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000425503720 648681433 /nfs/dbraw/zinc/68/14/33/648681433.db2.gz JUBXIVIODLVOKT-OAHLLOKOSA-N 1 0 384.318 2.018 20 0 GEADRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCCCNC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000425509167 648682177 /nfs/dbraw/zinc/68/21/77/648682177.db2.gz KKXYOXZVVBTGSI-XHSDSOJGSA-N 1 0 395.297 2.306 20 0 GEADRO CCOC[C@@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425520361 648683870 /nfs/dbraw/zinc/68/38/70/648683870.db2.gz QWGSRMHRCLTBHU-XHSDSOJGSA-N 1 0 386.286 2.035 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425749104 648694288 /nfs/dbraw/zinc/69/42/88/648694288.db2.gz VYNKZDKPJXMGPT-LLVKDONJSA-N 1 0 375.803 2.480 20 0 GEADRO C[C@H](CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C[NH+](C)C ZINC000425917840 648701031 /nfs/dbraw/zinc/70/10/31/648701031.db2.gz HATFVCCYJYAJMR-RISCZKNCSA-N 1 0 375.332 2.455 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)c2c1OCCC2 ZINC000427049825 648721128 /nfs/dbraw/zinc/72/11/28/648721128.db2.gz SAWVJLPHPWQJTL-CYBMUJFWSA-N 1 0 397.313 2.351 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]2C1 ZINC000427774934 648729873 /nfs/dbraw/zinc/72/98/73/648729873.db2.gz AHJIBZYIZVONOS-SCRDCRAPSA-N 1 0 382.291 2.366 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000428457540 648734227 /nfs/dbraw/zinc/73/42/27/648734227.db2.gz JXASNQYXRUOTPC-DZGCQCFKSA-N 1 0 377.286 2.263 20 0 GEADRO [NH3+]C1(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CCCCC1 ZINC000428467946 648734373 /nfs/dbraw/zinc/73/43/73/648734373.db2.gz LNZBPJFCIXETEE-AWEZNQCLSA-N 1 0 385.555 2.069 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CCC1 ZINC000429005002 648742213 /nfs/dbraw/zinc/74/22/13/648742213.db2.gz LVLDJBZYXFLGJD-OAHLLOKOSA-N 1 0 398.345 2.384 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000429108889 648745535 /nfs/dbraw/zinc/74/55/35/648745535.db2.gz IQVDTBZOMCZHCO-CJNGLKHVSA-N 1 0 396.329 2.319 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429161218 648747295 /nfs/dbraw/zinc/74/72/95/648747295.db2.gz JAEATBZWRKXAIB-RCBQFDQVSA-N 1 0 383.945 2.387 20 0 GEADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000429286797 648749250 /nfs/dbraw/zinc/74/92/50/648749250.db2.gz TWDNETLFDZMLQG-NVXWUHKLSA-N 1 0 383.330 2.355 20 0 GEADRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430705447 648765193 /nfs/dbraw/zinc/76/51/93/648765193.db2.gz ALSUOSUPZDKKJH-OUJBWJOFSA-N 1 0 379.320 2.154 20 0 GEADRO CN(CC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C(=O)c1ccc(Br)o1 ZINC000430714868 648765969 /nfs/dbraw/zinc/76/59/69/648765969.db2.gz QBBJEJYLRWWMMJ-LBPRGKRZSA-N 1 0 386.290 2.009 20 0 GEADRO CC(C)[N@H+](C)CCN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430715886 648765981 /nfs/dbraw/zinc/76/59/81/648765981.db2.gz BNYKUILZUCODTA-LLVKDONJSA-N 1 0 378.336 2.087 20 0 GEADRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430712265 648766010 /nfs/dbraw/zinc/76/60/10/648766010.db2.gz HDWAZXHMECJHKW-JQWIXIFHSA-N 1 0 379.320 2.298 20 0 GEADRO CC[N@H+](CCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)C ZINC000430708759 648766051 /nfs/dbraw/zinc/76/60/51/648766051.db2.gz KQCTVVNBPNLUOY-LBPRGKRZSA-N 1 0 392.363 2.477 20 0 GEADRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430741003 648767584 /nfs/dbraw/zinc/76/75/84/648767584.db2.gz HOFMOXNULQCZDV-KJDJKKKBSA-N 1 0 377.304 2.074 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430903707 648769690 /nfs/dbraw/zinc/76/96/90/648769690.db2.gz KRATUNPGSFKPIZ-KRWDZBQOSA-N 1 0 396.329 2.033 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000430905574 648769776 /nfs/dbraw/zinc/76/97/76/648769776.db2.gz FRPQYIKSOCEMRU-SJORKVTESA-N 1 0 396.329 2.033 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000432814940 648780252 /nfs/dbraw/zinc/78/02/52/648780252.db2.gz YQBJSFPOPWJLJP-AWEZNQCLSA-N 1 0 397.313 2.390 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(I)ccc1O ZINC000436773569 648793409 /nfs/dbraw/zinc/79/34/09/648793409.db2.gz PWYJXXFJQIHDCP-NOZJJQNGSA-N 1 0 386.233 2.209 20 0 GEADRO COC(=O)C1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438848893 648807024 /nfs/dbraw/zinc/80/70/24/648807024.db2.gz HCXMVFGJLUNWQL-CQSZACIVSA-N 1 0 390.249 2.213 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000440744266 648811622 /nfs/dbraw/zinc/81/16/22/648811622.db2.gz FYIUWFPTGBUVPT-UHFFFAOYSA-N 1 0 376.906 2.305 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000440760695 648812688 /nfs/dbraw/zinc/81/26/88/648812688.db2.gz ORLIRPMEHNEJLD-GHMZBOCLSA-N 1 0 377.304 2.124 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000440817080 648814564 /nfs/dbraw/zinc/81/45/64/648814564.db2.gz FHBVTKBWBZUQSP-JSGCOSHPSA-N 1 0 376.906 2.174 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000440819810 648814661 /nfs/dbraw/zinc/81/46/61/648814661.db2.gz XFHYKBQGWMBFSL-QWHCGFSZSA-N 1 0 376.906 2.126 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000440842262 648815941 /nfs/dbraw/zinc/81/59/41/648815941.db2.gz DSOYQEUPADQWQC-AVGNSLFASA-N 1 0 376.906 2.112 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000440843366 648816388 /nfs/dbraw/zinc/81/63/88/648816388.db2.gz MPPIAYLLCDVJBG-GXTWGEPZSA-N 1 0 376.906 2.032 20 0 GEADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000440846573 648816759 /nfs/dbraw/zinc/81/67/59/648816759.db2.gz NJYRDVPVCHTQLA-UHFFFAOYSA-N 1 0 391.896 2.448 20 0 GEADRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2c(F)cccc2Br)C[C@H]1C ZINC000441119334 648820961 /nfs/dbraw/zinc/82/09/61/648820961.db2.gz UVPGZYDHBKTCIF-GHMZBOCLSA-N 1 0 386.265 2.468 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(Br)c1C ZINC000441552459 648831898 /nfs/dbraw/zinc/83/18/98/648831898.db2.gz RJOJOILGTJVOLJ-CYBMUJFWSA-N 1 0 393.347 2.393 20 0 GEADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000441622086 648832708 /nfs/dbraw/zinc/83/27/08/648832708.db2.gz CRUXVFPIQSSQEZ-SWLSCSKDSA-N 1 0 399.333 2.128 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000442640624 648847483 /nfs/dbraw/zinc/84/74/83/648847483.db2.gz BKIUWWZQHONXHM-CYBMUJFWSA-N 1 0 385.295 2.464 20 0 GEADRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000442806308 648849741 /nfs/dbraw/zinc/84/97/41/648849741.db2.gz BBTLHSTUUHMNTK-OWJWWREXSA-N 1 0 384.567 2.423 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000443085986 648860306 /nfs/dbraw/zinc/86/03/06/648860306.db2.gz FBZIXVFQBBPDGI-UHFFFAOYSA-N 1 0 382.404 2.112 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1cnc(-c2ccncc2)s1)c1cccs1 ZINC000443860257 648889840 /nfs/dbraw/zinc/88/98/40/648889840.db2.gz OUSLBFASWWPZKR-CYBMUJFWSA-N 1 0 395.531 2.191 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H](C)Cc2ccsc2)CC1 ZINC000548501797 651078889 /nfs/dbraw/zinc/07/88/89/651078889.db2.gz DYMPAHZTHMYUAE-GFCCVEGCSA-N 1 0 382.555 2.462 20 0 GEADRO COc1ccc(Br)cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000548712985 651083234 /nfs/dbraw/zinc/08/32/34/651083234.db2.gz IHKZYXLOWWPZIP-GFCCVEGCSA-N 1 0 385.302 2.375 20 0 GEADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000548787052 651086098 /nfs/dbraw/zinc/08/60/98/651086098.db2.gz ISDJYKKZVWRAIY-XPTSAGLGSA-N 1 0 384.299 2.373 20 0 GEADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000548787053 651086192 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C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000549709179 651098949 /nfs/dbraw/zinc/09/89/49/651098949.db2.gz DCAOSXOYIQIFBO-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)C[C@@H](C)COC2CCCC2)C[C@@H]1[NH+]1CCCC1 ZINC000549804930 651100883 /nfs/dbraw/zinc/10/08/83/651100883.db2.gz CBLQNVOXTJUUIW-RYQLBKOJSA-N 1 0 390.615 2.423 20 0 GEADRO C[NH+]1CCC(CCNC(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000550452053 651111641 /nfs/dbraw/zinc/11/16/41/651111641.db2.gz RYDHTYYBVKMQFK-UHFFFAOYSA-N 1 0 383.945 2.396 20 0 GEADRO O=C(NCCSc1ccc(Cl)cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000550455986 651111914 /nfs/dbraw/zinc/11/19/14/651111914.db2.gz GJEBQLSVHNSEAX-OAHLLOKOSA-N 1 0 381.929 2.245 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000550664514 651113678 /nfs/dbraw/zinc/11/36/78/651113678.db2.gz SRJBPFRMXJNRAJ-CQSZACIVSA-N 1 0 396.329 2.256 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000550901241 651116398 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2.162 20 0 GEADRO Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCCC[C@H]3NS(C)(=O)=O)s2)cn1 ZINC000552188517 651142931 /nfs/dbraw/zinc/14/29/31/651142931.db2.gz DNTQBNXIOIIPFA-XJKSGUPXSA-N 1 0 382.555 2.346 20 0 GEADRO Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCCC[C@@H]3NS(C)(=O)=O)s2)cn1 ZINC000552188515 651142953 /nfs/dbraw/zinc/14/29/53/651142953.db2.gz DNTQBNXIOIIPFA-CJNGLKHVSA-N 1 0 382.555 2.346 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C[NH+](C)C ZINC000552240253 651144711 /nfs/dbraw/zinc/14/47/11/651144711.db2.gz LLSOGTGBYULEPI-OLZOCXBDSA-N 1 0 382.302 2.116 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCC1CCSCC1)c1ccc(Cl)cc1 ZINC000552437506 651149467 /nfs/dbraw/zinc/14/94/67/651149467.db2.gz HRSGTDBGEQLBGH-MRXNPFEDSA-N 1 0 383.945 2.318 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000552499246 651150883 /nfs/dbraw/zinc/15/08/83/651150883.db2.gz XUDNHCGTNPBSGA-LLVKDONJSA-N 1 0 386.290 2.089 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C[NH+](C)C ZINC000552578553 651153033 /nfs/dbraw/zinc/15/30/33/651153033.db2.gz PMASCIYGGZFXBD-WFASDCNBSA-N 1 0 382.302 2.116 20 0 GEADRO CC(C)(C)Oc1nc(NCCC[NH+]2CCC(O)CC2)ncc1Br ZINC000553291087 651171027 /nfs/dbraw/zinc/17/10/27/651171027.db2.gz YYWKNEVZJPHHFM-UHFFFAOYSA-N 1 0 387.322 2.675 20 0 GEADRO CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000553895972 651193070 /nfs/dbraw/zinc/19/30/70/651193070.db2.gz QECSWDAJCIUZAK-UHFFFAOYSA-N 1 0 378.489 2.423 20 0 GEADRO CSc1cccc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000554680150 651210010 /nfs/dbraw/zinc/21/00/10/651210010.db2.gz RSKJKYXATRBAFE-MRXNPFEDSA-N 1 0 383.583 2.198 20 0 GEADRO C[C@@H](CNC(=O)N(C)CCn1cc(Br)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000554694092 651210523 /nfs/dbraw/zinc/21/05/23/651210523.db2.gz CFLGBKZRMXNOHO-KGLIPLIRSA-N 1 0 386.338 2.407 20 0 GEADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000555173143 651219498 /nfs/dbraw/zinc/21/94/98/651219498.db2.gz AQJWLBJDYRPTES-CABCVRRESA-N 1 0 387.571 2.136 20 0 GEADRO CCCCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)C[N@H+](CC)CCC)CC1 ZINC000555171900 651219586 /nfs/dbraw/zinc/21/95/86/651219586.db2.gz QIVIJBCULMZGJW-INIZCTEOSA-N 1 0 375.579 2.065 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000555532997 651227787 /nfs/dbraw/zinc/22/77/87/651227787.db2.gz BYIMOZRRENRVOT-CYBMUJFWSA-N 1 0 375.332 2.225 20 0 GEADRO CCN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H](C)CS(C)(=O)=O ZINC000556103963 651236824 /nfs/dbraw/zinc/23/68/24/651236824.db2.gz XPDFZINFUQEFLO-YNEHKIRRSA-N 1 0 386.480 2.177 20 0 GEADRO C[C@H]([C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)S(C)(=O)=O ZINC000556146662 651237419 /nfs/dbraw/zinc/23/74/19/651237419.db2.gz HGRJTCHWNHFCEQ-UMSGYPCISA-N 1 0 386.480 2.175 20 0 GEADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3cnc(N)s3)CC2)cc1 ZINC000556204480 651238334 /nfs/dbraw/zinc/23/83/34/651238334.db2.gz AGYMHBVMJOKUKR-UHFFFAOYSA-N 1 0 380.539 2.278 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000556252829 651239017 /nfs/dbraw/zinc/23/90/17/651239017.db2.gz KCNFUKQUMSSMQT-SNVBAGLBSA-N 1 0 380.436 2.423 20 0 GEADRO CNC(=O)C[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000556262672 651239027 /nfs/dbraw/zinc/23/90/27/651239027.db2.gz ZCLVSTOXBNOATI-CZUORRHYSA-N 1 0 392.297 2.466 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000556277032 651239380 /nfs/dbraw/zinc/23/93/80/651239380.db2.gz KDZTVAPXFKZYMP-AWEZNQCLSA-N 1 0 382.302 2.306 20 0 GEADRO CSCC[C@H](C)N(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556302642 651240197 /nfs/dbraw/zinc/24/01/97/651240197.db2.gz CXWOZZLWKFZXGX-HNNXBMFYSA-N 1 0 387.615 2.064 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cn1 ZINC000556920269 651257237 /nfs/dbraw/zinc/25/72/37/651257237.db2.gz LJUHEJXTIBCLDD-DGCLKSJQSA-N 1 0 376.320 2.309 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000557002989 651259701 /nfs/dbraw/zinc/25/97/01/651259701.db2.gz VQGUGJMTUGPXJA-ZDUSSCGKSA-N 1 0 391.273 2.388 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000557002988 651259786 /nfs/dbraw/zinc/25/97/86/651259786.db2.gz VQGUGJMTUGPXJA-CYBMUJFWSA-N 1 0 391.273 2.388 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cccc2cc(Br)cnc21 ZINC000557026701 651260543 /nfs/dbraw/zinc/26/05/43/651260543.db2.gz LQEJLASJKNGQSK-ZDUSSCGKSA-N 1 0 378.274 2.022 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)NCCCN3CC[NH2+]CC3)s2)cs1 ZINC000557138029 651263995 /nfs/dbraw/zinc/26/39/95/651263995.db2.gz SUIJQEJYBIEMRA-UHFFFAOYSA-N 1 0 379.555 2.275 20 0 GEADRO CC[NH2+]CCCNC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000557213402 651266527 /nfs/dbraw/zinc/26/65/27/651266527.db2.gz SWSLWGBPNHLLIT-UHFFFAOYSA-N 1 0 380.539 2.430 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ncsc1Br ZINC000557669668 651271758 /nfs/dbraw/zinc/27/17/58/651271758.db2.gz JPOSLNIFFBARRE-CYBMUJFWSA-N 1 0 396.310 2.402 20 0 GEADRO COC(=O)c1nscc1S(=O)(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000557856150 651275313 /nfs/dbraw/zinc/27/53/13/651275313.db2.gz YKOBDKYWXOZTRC-UHFFFAOYSA-N 1 0 389.543 2.205 20 0 GEADRO Cc1cc(C(=O)NCCOCC[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000558290081 651278506 /nfs/dbraw/zinc/27/85/06/651278506.db2.gz SWSLRCSZCMRZAV-UHFFFAOYSA-N 1 0 395.301 2.251 20 0 GEADRO Cc1nc(NCc2ccccc2C[NH+]2CCCCC2)sc1S(N)(=O)=O ZINC000558754260 651284403 /nfs/dbraw/zinc/28/44/03/651284403.db2.gz CFDSSASOVOOXDG-UHFFFAOYSA-N 1 0 380.539 2.697 20 0 GEADRO Cc1nc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000558787259 651285592 /nfs/dbraw/zinc/28/55/92/651285592.db2.gz JKYICCSDYVFNEM-OAHLLOKOSA-N 1 0 380.539 2.200 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000558934801 651288228 /nfs/dbraw/zinc/28/82/28/651288228.db2.gz QLPKUWPJUVESDP-INIZCTEOSA-N 1 0 387.933 2.067 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000559011208 651289651 /nfs/dbraw/zinc/28/96/51/651289651.db2.gz SAJRMWHJBAPECX-UHFFFAOYSA-N 1 0 393.285 2.346 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000559016138 651289837 /nfs/dbraw/zinc/28/98/37/651289837.db2.gz TXXCSRQSYMPEMA-UHFFFAOYSA-N 1 0 376.682 2.499 20 0 GEADRO C[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[NH+]1CCCCC1 ZINC000559255856 651293884 /nfs/dbraw/zinc/29/38/84/651293884.db2.gz DHSANYAVFWMHOD-CYBMUJFWSA-N 1 0 382.302 2.170 20 0 GEADRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2=O)cn1 ZINC000559273689 651294610 /nfs/dbraw/zinc/29/46/10/651294610.db2.gz UUGSXXIXCKNGGJ-CXAGYDPISA-N 1 0 389.297 2.435 20 0 GEADRO O=C(NCc1ccccc1Br)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000559617236 651298982 /nfs/dbraw/zinc/29/89/82/651298982.db2.gz ZBVUXPZBGRKDNH-UHFFFAOYSA-N 1 0 394.313 2.198 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1C ZINC000559814502 651301754 /nfs/dbraw/zinc/30/17/54/651301754.db2.gz NWWHMRBFXKWHAW-GXSJLCMTSA-N 1 0 378.420 2.128 20 0 GEADRO Cn1cc([C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C(F)(F)F)cn1 ZINC000559961741 651302109 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651641780 /nfs/dbraw/zinc/64/17/80/651641780.db2.gz JKOOFHXPXKZVPG-HIFRSBDPSA-N 1 0 380.432 2.148 20 0 GEADRO [NH3+][C@H](CC(F)F)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000567980715 651642895 /nfs/dbraw/zinc/64/28/95/651642895.db2.gz KEVBOUDLQKLNTO-CYBMUJFWSA-N 1 0 376.245 2.076 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)cc21 ZINC000645744903 651645797 /nfs/dbraw/zinc/64/57/97/651645797.db2.gz AOHOSFJQXJCVQY-BZNIZROVSA-N 1 0 398.326 2.265 20 0 GEADRO CN(C(=O)/C=C\c1ccc(I)o1)[C@H]1C[NH+]2CCC1CC2 ZINC000732161433 651646832 /nfs/dbraw/zinc/64/68/32/651646832.db2.gz WURKRFHIVSDJCK-DXTPNHAXSA-N 1 0 386.233 2.450 20 0 GEADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C(N)=O)c3cccc(Br)c3)[C@H]2C1 ZINC000568068112 651648769 /nfs/dbraw/zinc/64/87/69/651648769.db2.gz RTOBEAPNZCINOX-HJWJTTGWSA-N 1 0 394.313 2.212 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000732229990 651650643 /nfs/dbraw/zinc/65/06/43/651650643.db2.gz SYZONSOFLHTUSK-LSDHHAIUSA-N 1 0 388.965 2.169 20 0 GEADRO CCC(CC)[C@@H](O)C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000732231213 651650697 /nfs/dbraw/zinc/65/06/97/651650697.db2.gz LZUGHRGWRQHBRB-HIFRSBDPSA-N 1 0 377.938 2.091 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000568093080 651651048 /nfs/dbraw/zinc/65/10/48/651651048.db2.gz LIPCANXXDIFTSQ-UHFFFAOYSA-N 1 0 396.329 2.303 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000732246297 651651012 /nfs/dbraw/zinc/65/10/12/651651012.db2.gz PQBAACVEVSMHCG-HZPDHXFCSA-N 1 0 382.302 2.420 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000732246295 651651106 /nfs/dbraw/zinc/65/11/06/651651106.db2.gz PQBAACVEVSMHCG-CVEARBPZSA-N 1 0 382.302 2.420 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000568161874 651653308 /nfs/dbraw/zinc/65/33/08/651653308.db2.gz KYLQZVPESBVPOU-MBNYWOFBSA-N 1 0 376.906 2.254 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)n1 ZINC000568201644 651656183 /nfs/dbraw/zinc/65/61/83/651656183.db2.gz VLQWECUXTAXVDW-UHFFFAOYSA-N 1 0 377.246 2.336 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2ccc(I)cc2)CC1 ZINC000610368615 651658068 /nfs/dbraw/zinc/65/80/68/651658068.db2.gz DIZUIIFVWMCUDT-HZPDHXFCSA-N 1 0 386.277 2.322 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccc(I)cc2)CC1 ZINC000610368616 651658117 /nfs/dbraw/zinc/65/81/17/651658117.db2.gz DIZUIIFVWMCUDT-JKSUJKDBSA-N 1 0 386.277 2.322 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000568277845 651661139 /nfs/dbraw/zinc/66/11/39/651661139.db2.gz GQJNIDXGKZGLCX-UHFFFAOYSA-N 1 0 381.267 2.099 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000568277885 651661163 /nfs/dbraw/zinc/66/11/63/651661163.db2.gz HXCBAWQDNOSHFR-DTWKUNHWSA-N 1 0 381.267 2.003 20 0 GEADRO Cc1c(I)cccc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000568392371 651665937 /nfs/dbraw/zinc/66/59/37/651665937.db2.gz WIMSZVHSEUBSHY-LLVKDONJSA-N 1 0 380.176 2.327 20 0 GEADRO O=C(NCCCc1cccc(Br)c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645955785 651671636 /nfs/dbraw/zinc/67/16/36/651671636.db2.gz XWOXZXUJIVQOSU-HNNXBMFYSA-N 1 0 392.301 2.155 20 0 GEADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000645961025 651671759 /nfs/dbraw/zinc/67/17/59/651671759.db2.gz DIANPNNKJNUXHH-JKSUJKDBSA-N 1 0 381.318 2.445 20 0 GEADRO Cc1csc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1I ZINC000568627925 651673359 /nfs/dbraw/zinc/67/33/59/651673359.db2.gz JVCRGUSDFXIBEF-ZJUUUORDSA-N 1 0 376.263 2.343 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Br)co1 ZINC000568726671 651677300 /nfs/dbraw/zinc/67/73/00/651677300.db2.gz XYGLDLLGNKGITQ-UHFFFAOYSA-N 1 0 375.263 2.388 20 0 GEADRO CCN(C(=O)C[NH2+]C1(c2cccc(Cl)c2)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000646094530 651678790 /nfs/dbraw/zinc/67/87/90/651678790.db2.gz CJGCIHZBRUZVCL-INIZCTEOSA-N 1 0 384.929 2.344 20 0 GEADRO Cc1ccc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(Br)c1 ZINC000646170478 651680356 /nfs/dbraw/zinc/68/03/56/651680356.db2.gz RJUCRUIZCBQOEB-LBPRGKRZSA-N 1 0 383.290 2.341 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000568851696 651684275 /nfs/dbraw/zinc/68/42/75/651684275.db2.gz NYVIXPYYKTWTJN-UHFFFAOYSA-N 1 0 385.917 2.123 20 0 GEADRO COc1ccc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1Br ZINC000646271488 651685341 /nfs/dbraw/zinc/68/53/41/651685341.db2.gz CWWMGOHOCHKNEZ-LLVKDONJSA-N 1 0 399.289 2.041 20 0 GEADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000646337388 651689134 /nfs/dbraw/zinc/68/91/34/651689134.db2.gz AJWNLEZLXWZANL-JSGCOSHPSA-N 1 0 381.929 2.464 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646340773 651689554 /nfs/dbraw/zinc/68/95/54/651689554.db2.gz IDLCXPGKEDPTHY-GZMMTYOYSA-N 1 0 389.091 2.431 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646350343 651691282 /nfs/dbraw/zinc/69/12/82/651691282.db2.gz WKAVPCUNTJQSDX-HNNXBMFYSA-N 1 0 384.293 2.027 20 0 GEADRO O=C(c1c[nH]c2ccc(Br)cc12)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646350243 651691326 /nfs/dbraw/zinc/69/13/26/651691326.db2.gz KXSSMVGMGOIFCY-CYBMUJFWSA-N 1 0 377.286 2.050 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646384376 651693070 /nfs/dbraw/zinc/69/30/70/651693070.db2.gz IGMNVPKZRWRQRU-QWHCGFSZSA-N 1 0 392.301 2.344 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646384377 651693558 /nfs/dbraw/zinc/69/35/58/651693558.db2.gz IGMNVPKZRWRQRU-STQMWFEESA-N 1 0 392.301 2.344 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000569029717 651695168 /nfs/dbraw/zinc/69/51/68/651695168.db2.gz GKLNJEQZJUQJRY-CQSZACIVSA-N 1 0 377.457 2.039 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000646449438 651697439 /nfs/dbraw/zinc/69/74/39/651697439.db2.gz NCWRTJZNIMBAKX-IAGOWNOFSA-N 1 0 397.313 2.322 20 0 GEADRO C[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccc(Br)s1 ZINC000646458616 651698028 /nfs/dbraw/zinc/69/80/28/651698028.db2.gz BKSMOTFLNFWSSK-LBPRGKRZSA-N 1 0 386.359 2.320 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)Cc3csc(-c4cccs4)n3)C2)CC1 ZINC000646459422 651698459 /nfs/dbraw/zinc/69/84/59/651698459.db2.gz XSXYXOWVDGLSKB-UHFFFAOYSA-N 1 0 376.551 2.120 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cc(Br)ccc3Cl)C2)CC1 ZINC000646461388 651698481 /nfs/dbraw/zinc/69/84/81/651698481.db2.gz UXBSHYLQAGTNIT-UHFFFAOYSA-N 1 0 386.721 2.422 20 0 GEADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000569228227 651703282 /nfs/dbraw/zinc/70/32/82/651703282.db2.gz AKARGEQJCSFOBZ-MRXNPFEDSA-N 1 0 393.281 2.208 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000569331039 651706692 /nfs/dbraw/zinc/70/66/92/651706692.db2.gz UAHAZUQTZQWLGZ-LLVKDONJSA-N 1 0 379.262 2.232 20 0 GEADRO C[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000569333851 651707275 /nfs/dbraw/zinc/70/72/75/651707275.db2.gz ZNMSNYCCZSACKZ-JQFCIGGWSA-N 1 0 375.918 2.335 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000569339200 651707871 /nfs/dbraw/zinc/70/78/71/651707871.db2.gz UIDQPSBEQQOSKE-KGLIPLIRSA-N 1 0 397.313 2.430 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC1CCC([NH3+])CC1 ZINC000646664665 651711433 /nfs/dbraw/zinc/71/14/33/651711433.db2.gz GXDYJCRYNBEDFU-UHFFFAOYSA-N 1 0 389.315 2.161 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(I)c2)O1 ZINC000569462067 651715252 /nfs/dbraw/zinc/71/52/52/651715252.db2.gz DSSHRNJIAAPXMY-KBPBESRZSA-N 1 0 388.249 2.017 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000569488777 651717176 /nfs/dbraw/zinc/71/71/76/651717176.db2.gz VNWOFPTWPRSLRH-UHFFFAOYSA-N 1 0 393.285 2.346 20 0 GEADRO O=C(NC[C@H]1CCCS1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000569601063 651720185 /nfs/dbraw/zinc/72/01/85/651720185.db2.gz KWROAOIZHFJRKN-LSDHHAIUSA-N 1 0 381.567 2.088 20 0 GEADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000569602585 651720196 /nfs/dbraw/zinc/72/01/96/651720196.db2.gz CCLFKVLOLCQWFF-ZDUSSCGKSA-N 1 0 394.235 2.215 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000569738033 651721232 /nfs/dbraw/zinc/72/12/32/651721232.db2.gz RDXYYNKARDHGCM-INIZCTEOSA-N 1 0 394.313 2.312 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000646840376 651723261 /nfs/dbraw/zinc/72/32/61/651723261.db2.gz LCSSUFSABGEARO-LRDDRELGSA-N 1 0 393.285 2.131 20 0 GEADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646845511 651723735 /nfs/dbraw/zinc/72/37/35/651723735.db2.gz KBUFSFYUPXQRPR-YSVLISHTSA-N 1 0 399.329 2.219 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c2ccc(Br)cc2n1 ZINC000646847961 651724272 /nfs/dbraw/zinc/72/42/72/651724272.db2.gz HXZPGTBZHBLBNM-BDJLRTHQSA-N 1 0 378.270 2.494 20 0 GEADRO Cn1ncc(Br)c1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000569794752 651724544 /nfs/dbraw/zinc/72/45/44/651724544.db2.gz STCXDZMHUPIWOA-UHFFFAOYSA-N 1 0 399.333 2.195 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(F)c(F)c(F)c1 ZINC000569798558 651724898 /nfs/dbraw/zinc/72/48/98/651724898.db2.gz PNKBNEXUTCGEEG-WCQYABFASA-N 1 0 379.448 2.415 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000569812774 651726733 /nfs/dbraw/zinc/72/67/33/651726733.db2.gz ZVJLYYZVIJYFDS-PVAVHDDUSA-N 1 0 398.345 2.232 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000733882542 651727616 /nfs/dbraw/zinc/72/76/16/651727616.db2.gz QYHVXHCUBBRSNP-UHFFFAOYSA-N 1 0 378.416 2.394 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)[C@@H]2C1 ZINC000646913177 651727831 /nfs/dbraw/zinc/72/78/31/651727831.db2.gz APTADHWFPHHPNA-IINYFYTJSA-N 1 0 376.254 2.479 20 0 GEADRO CCOC(=O)Cc1csc(SCC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000733904186 651728784 /nfs/dbraw/zinc/72/87/84/651728784.db2.gz WMZXPIHJDNIRIN-UHFFFAOYSA-N 1 0 385.555 2.330 20 0 GEADRO C[NH+](C)CCNC(=S)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000733907464 651728855 /nfs/dbraw/zinc/72/88/55/651728855.db2.gz WMDQFNYXYOVEPB-GFCCVEGCSA-N 1 0 376.448 2.190 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCC(C)(C)C[NH+]3CCCC3)cnc2c1Cl ZINC000569875735 651730918 /nfs/dbraw/zinc/73/09/18/651730918.db2.gz NHFKIGCUSKNDJV-UHFFFAOYSA-N 1 0 385.921 2.091 20 0 GEADRO CCCN(C(=O)C(=O)NCCSc1ccc(Cl)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000646974731 651731232 /nfs/dbraw/zinc/73/12/32/651731232.db2.gz NHMNKRJLCFCTIN-OAHLLOKOSA-N 1 0 383.945 2.491 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000647064540 651733293 /nfs/dbraw/zinc/73/32/93/651733293.db2.gz TUVXUYWXUQUFRV-NWDGAFQWSA-N 1 0 391.331 2.103 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000569919657 651733474 /nfs/dbraw/zinc/73/34/74/651733474.db2.gz MSWYOSXPEGKWRH-SCDSUCTJSA-N 1 0 382.295 2.481 20 0 GEADRO [NH3+]CCCn1cc(C(=O)Nc2nnc(SCc3cccs3)s2)nn1 ZINC000569923965 651734000 /nfs/dbraw/zinc/73/40/00/651734000.db2.gz UCOALVRGSNNDKS-UHFFFAOYSA-N 1 0 381.512 2.085 20 0 GEADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)CCC)cc2)CC1 ZINC000569953026 651736342 /nfs/dbraw/zinc/73/63/42/651736342.db2.gz AHSSTFVJARIFEW-UHFFFAOYSA-N 1 0 388.555 2.023 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cncnc1OC ZINC000647216186 651736810 /nfs/dbraw/zinc/73/68/10/651736810.db2.gz YSYQRPNIFSNWKB-LBPRGKRZSA-N 1 0 396.285 2.197 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000569966453 651737336 /nfs/dbraw/zinc/73/73/36/651737336.db2.gz YNJPGLVZEBAIEE-PBHICJAKSA-N 1 0 377.897 2.475 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000647229771 651737714 /nfs/dbraw/zinc/73/77/14/651737714.db2.gz AMFZCUZXCPSHLD-VXGBXAGGSA-N 1 0 381.523 2.443 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734243171 651740024 /nfs/dbraw/zinc/74/00/24/651740024.db2.gz DYVBXWLTFDXXOJ-OAHLLOKOSA-N 1 0 388.917 2.270 20 0 GEADRO COc1ccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000734243707 651740085 /nfs/dbraw/zinc/74/00/85/651740085.db2.gz MNBNWTURZFHAHL-AWEZNQCLSA-N 1 0 388.917 2.270 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000647285719 651741204 /nfs/dbraw/zinc/74/12/04/651741204.db2.gz OOHOOCAOHLYVNQ-LLVKDONJSA-N 1 0 377.304 2.187 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000570042818 651741675 /nfs/dbraw/zinc/74/16/75/651741675.db2.gz OCEJWXNGRCEZOF-NVXWUHKLSA-N 1 0 394.313 2.275 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=S)NCCSc3ccccc3)CC2)C1 ZINC000734308522 651742095 /nfs/dbraw/zinc/74/20/95/651742095.db2.gz GCCSITLOJUUYIH-KRWDZBQOSA-N 1 0 378.611 2.365 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000647293711 651742204 /nfs/dbraw/zinc/74/22/04/651742204.db2.gz XIJIGBBAFBBRHY-UWVGGRQHSA-N 1 0 383.258 2.217 20 0 GEADRO COCC1(CNS(=O)(=O)N(CCC(C)C)CCC(C)C)CC[NH2+]CC1 ZINC000647294893 651742244 /nfs/dbraw/zinc/74/22/44/651742244.db2.gz ROFGAGBRNDNJJG-UHFFFAOYSA-N 1 0 377.595 2.231 20 0 GEADRO O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647292159 651742306 /nfs/dbraw/zinc/74/23/06/651742306.db2.gz UEEIDUIOKNFXOJ-OAHLLOKOSA-N 1 0 378.416 2.392 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000647316527 651743503 /nfs/dbraw/zinc/74/35/03/651743503.db2.gz PEHSVJRYACPIEB-VXGBXAGGSA-N 1 0 390.347 2.311 20 0 GEADRO O=C(CSc1cccc(Br)c1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000570066638 651743829 /nfs/dbraw/zinc/74/38/29/651743829.db2.gz FGIWAHSBEYSOII-INIZCTEOSA-N 1 0 385.327 2.114 20 0 GEADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000647319333 651744006 /nfs/dbraw/zinc/74/40/06/651744006.db2.gz WPZNBRZVILLPKT-NSHDSACASA-N 1 0 383.258 2.341 20 0 GEADRO Cn1cnc(CCC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)n1 ZINC000647327317 651744587 /nfs/dbraw/zinc/74/45/87/651744587.db2.gz YGFXTPNLGZEZDJ-CYBMUJFWSA-N 1 0 399.314 2.019 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000570072496 651744574 /nfs/dbraw/zinc/74/45/74/651744574.db2.gz VERDYLJTMVHODW-SKDRFNHKSA-N 1 0 380.798 2.430 20 0 GEADRO COC1([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCCC1 ZINC000570076505 651745096 /nfs/dbraw/zinc/74/50/96/651745096.db2.gz MLJQIHPWAZJSEC-AWEZNQCLSA-N 1 0 388.555 2.206 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[N@@H+]1C1CC1 ZINC000612102472 651745261 /nfs/dbraw/zinc/74/52/61/651745261.db2.gz BIEMNCWGESXDDH-WCBMZHEXSA-N 1 0 379.258 2.386 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H](O)C(F)(F)F ZINC000647514986 651749180 /nfs/dbraw/zinc/74/91/80/651749180.db2.gz KQOXJFXKVZRTQY-HNBZJPLGSA-N 1 0 390.171 2.229 20 0 GEADRO O[C@@H](CNC[C@H](O)C[NH+]1CCCCC1)COc1c(Cl)cccc1Cl ZINC000647517810 651749448 /nfs/dbraw/zinc/74/94/48/651749448.db2.gz GQVYIDCQAGGUDB-KBPBESRZSA-N 1 0 377.312 2.170 20 0 GEADRO Cc1ccc(OCCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000647679324 651754221 /nfs/dbraw/zinc/75/42/21/651754221.db2.gz YKPCGTUIKORBNI-OAHLLOKOSA-N 1 0 396.329 2.033 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000570278854 651757703 /nfs/dbraw/zinc/75/77/03/651757703.db2.gz QGJJWXBEBZXCNE-CMPLNLGQSA-N 1 0 379.860 2.269 20 0 GEADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647775201 651758599 /nfs/dbraw/zinc/75/85/99/651758599.db2.gz FJFVVSWVUOTPKM-CYBMUJFWSA-N 1 0 386.359 2.293 20 0 GEADRO O=S(=O)(NCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1Cl ZINC000570320962 651760330 /nfs/dbraw/zinc/76/03/30/651760330.db2.gz RHFOCAXCSKLGKI-FOSCPWQOSA-N 1 0 378.325 2.144 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000612551798 651760837 /nfs/dbraw/zinc/76/08/37/651760837.db2.gz KDAJXUBLFYGTTB-CQSZACIVSA-N 1 0 382.302 2.008 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000570341970 651761467 /nfs/dbraw/zinc/76/14/67/651761467.db2.gz XEARSQTWCRRLKP-INIZCTEOSA-N 1 0 383.539 2.214 20 0 GEADRO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000734975859 651761550 /nfs/dbraw/zinc/76/15/50/651761550.db2.gz ONJLKRUWSIAAKD-UHFFFAOYSA-N 1 0 382.507 2.094 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)C2)CC1 ZINC000647825517 651762106 /nfs/dbraw/zinc/76/21/06/651762106.db2.gz ZIOIZDSHQSYMJF-UHFFFAOYSA-N 1 0 379.917 2.111 20 0 GEADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000570398063 651764628 /nfs/dbraw/zinc/76/46/28/651764628.db2.gz AQMVXEZZFDAQFN-UNEWFSDZSA-N 1 0 394.313 2.356 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000570441939 651767766 /nfs/dbraw/zinc/76/77/66/651767766.db2.gz FBMXCZRFNNTBQY-SNVBAGLBSA-N 1 0 397.191 2.456 20 0 GEADRO COCCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000647970501 651767845 /nfs/dbraw/zinc/76/78/45/651767845.db2.gz SZADZLINWBTFKU-TZMCWYRMSA-N 1 0 375.307 2.047 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)COc1ccc(Br)cc1 ZINC000570451266 651768322 /nfs/dbraw/zinc/76/83/22/651768322.db2.gz JXEKZJBLYOMQTR-BNOWGMLFSA-N 1 0 380.229 2.327 20 0 GEADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000570514540 651772041 /nfs/dbraw/zinc/77/20/41/651772041.db2.gz PINQTTACXWBYEU-UHFFFAOYSA-N 1 0 388.555 2.010 20 0 GEADRO CC1(OCC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C[NH2+]C1 ZINC000648164745 651775293 /nfs/dbraw/zinc/77/52/93/651775293.db2.gz SDJDKEQABXOKAG-UHFFFAOYSA-N 1 0 383.286 2.197 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000570575175 651776092 /nfs/dbraw/zinc/77/60/92/651776092.db2.gz MPMPGWSVERRFGV-UHFFFAOYSA-N 1 0 390.347 2.265 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000648202805 651776369 /nfs/dbraw/zinc/77/63/69/651776369.db2.gz SGMZBGCHVLZMHU-GFCCVEGCSA-N 1 0 380.286 2.060 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)[C@H]2C1 ZINC000613330809 651783256 /nfs/dbraw/zinc/78/32/56/651783256.db2.gz XRAVATFHVJXBHW-ZANVPECISA-N 1 0 379.258 2.197 20 0 GEADRO CC[N@@H+]1CCN(Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C[C@H]1C ZINC000648371314 651784315 /nfs/dbraw/zinc/78/43/15/651784315.db2.gz JJOVJRKKNMPMIM-ZIAGYGMSSA-N 1 0 398.345 2.488 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](CCCO)C1CC1 ZINC000648373352 651784377 /nfs/dbraw/zinc/78/43/77/651784377.db2.gz YXPNIVDTJNASSP-GFCCVEGCSA-N 1 0 385.302 2.309 20 0 GEADRO C[C@@H](NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C1=CC[N@H+](C)CC1 ZINC000613376727 651784636 /nfs/dbraw/zinc/78/46/36/651784636.db2.gz VBVVYUDAXFIVQE-SECBINFHSA-N 1 0 379.258 2.411 20 0 GEADRO C[C@H](CC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)n1cc(Br)cn1 ZINC000648374534 651784916 /nfs/dbraw/zinc/78/49/16/651784916.db2.gz PJBYFFKOTCONDR-GFCCVEGCSA-N 1 0 395.305 2.699 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](CCCO)C1CC1 ZINC000648373353 651785020 /nfs/dbraw/zinc/78/50/20/651785020.db2.gz YXPNIVDTJNASSP-LBPRGKRZSA-N 1 0 385.302 2.309 20 0 GEADRO COC(=O)C[C@]1([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCOC1 ZINC000613393509 651785107 /nfs/dbraw/zinc/78/51/07/651785107.db2.gz BUFGGEYFGWQYKL-MEDUHNTESA-N 1 0 378.252 2.045 20 0 GEADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000570708035 651785493 /nfs/dbraw/zinc/78/54/93/651785493.db2.gz QLXHFMRRRXDMDW-UHFFFAOYSA-N 1 0 378.523 2.251 20 0 GEADRO C[C@@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000570739361 651787649 /nfs/dbraw/zinc/78/76/49/651787649.db2.gz UNSGQVLZGRFYAG-SECBINFHSA-N 1 0 396.702 2.208 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)[C@H](C[NH3+])C1 ZINC000570792963 651791151 /nfs/dbraw/zinc/79/11/51/651791151.db2.gz FPEMUWBAQACNKL-LSDHHAIUSA-N 1 0 393.285 2.213 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000613662767 651791372 /nfs/dbraw/zinc/79/13/72/651791372.db2.gz FVLMRTLCGPTBSC-CHWSQXEVSA-N 1 0 389.315 2.065 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)n2cc(Br)cn2)C1 ZINC000648719526 651796435 /nfs/dbraw/zinc/79/64/35/651796435.db2.gz ACDBRFMGSNPPEL-HIFRSBDPSA-N 1 0 387.322 2.070 20 0 GEADRO [NH3+]CCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)nn1 ZINC000570868843 651796510 /nfs/dbraw/zinc/79/65/10/651796510.db2.gz XHFQURDIRGUZAB-UHFFFAOYSA-N 1 0 380.182 2.075 20 0 GEADRO C[C@H]1CN(C(=O)Cc2ccc(Br)cc2F)CC[N@@H+]1CC(C)(C)O ZINC000613790904 651797449 /nfs/dbraw/zinc/79/74/49/651797449.db2.gz VDSLQVIWQUIHEH-LBPRGKRZSA-N 1 0 387.293 2.434 20 0 GEADRO C[C@H](C[NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000648735725 651798298 /nfs/dbraw/zinc/79/82/98/651798298.db2.gz ILCWKWKJFYETAL-CQSZACIVSA-N 1 0 381.519 2.387 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648751496 651799314 /nfs/dbraw/zinc/79/93/14/651799314.db2.gz IVWASXOICMLQFL-UHFFFAOYSA-N 1 0 395.301 2.176 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570942748 651801766 /nfs/dbraw/zinc/80/17/66/651801766.db2.gz DYEPTSSYRLUCQF-WDEREUQCSA-N 1 0 378.274 2.076 20 0 GEADRO CO[C@@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@H](C[NH3+])C1 ZINC000570964327 651802723 /nfs/dbraw/zinc/80/27/23/651802723.db2.gz MUWXAVXOMVFNIP-WDEREUQCSA-N 1 0 392.244 2.104 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000648790573 651803738 /nfs/dbraw/zinc/80/37/38/651803738.db2.gz RXUAZARTXXTEGL-UHFFFAOYSA-N 1 0 396.340 2.072 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(Cl)c3)C[C@@H]21 ZINC000571019220 651805931 /nfs/dbraw/zinc/80/59/31/651805931.db2.gz GUSHGMFVNLJRFR-RNCFNFMXSA-N 1 0 386.677 2.204 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1c2ccc(Br)cc2nn1C ZINC000648860450 651806338 /nfs/dbraw/zinc/80/63/38/651806338.db2.gz KOKRFUXULPDEMG-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO CN(C)[C@@]1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCSC1 ZINC000571040210 651807563 /nfs/dbraw/zinc/80/75/63/651807563.db2.gz WWVMLVAWZJOCGG-GDBMZVCRSA-N 1 0 389.359 2.216 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC000571065315 651809183 /nfs/dbraw/zinc/80/91/83/651809183.db2.gz GFOWSKOUQQIFNJ-YGRLFVJLSA-N 1 0 395.308 2.001 20 0 GEADRO CCCN(C(=O)CNC(=O)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000649005332 651810599 /nfs/dbraw/zinc/81/05/99/651810599.db2.gz USIKRFAQHQGXDA-OAHLLOKOSA-N 1 0 382.302 2.122 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCc2cc(Br)ccc2F)C1 ZINC000614067650 651811415 /nfs/dbraw/zinc/81/14/15/651811415.db2.gz ULKZLMKDZMCMPE-QGZVFWFLSA-N 1 0 387.293 2.436 20 0 GEADRO CO[C@@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1Br ZINC000614071551 651811754 /nfs/dbraw/zinc/81/17/54/651811754.db2.gz REJDMZGAYVDSAV-WBVHZDCISA-N 1 0 385.302 2.052 20 0 GEADRO Cn1ncc(Br)c1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000571134880 651812554 /nfs/dbraw/zinc/81/25/54/651812554.db2.gz QTPOLBKSDDRXNH-OAHLLOKOSA-N 1 0 391.313 2.477 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000649069084 651813637 /nfs/dbraw/zinc/81/36/37/651813637.db2.gz PVUFUPZHVKFZLK-MLGOLLRUSA-N 1 0 394.313 2.057 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000649069083 651813654 /nfs/dbraw/zinc/81/36/54/651813654.db2.gz PVUFUPZHVKFZLK-LRDDRELGSA-N 1 0 394.313 2.057 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccc(Br)c1Cl ZINC000649073516 651814303 /nfs/dbraw/zinc/81/43/03/651814303.db2.gz ZIDNLIFUUKTNDT-SNVBAGLBSA-N 1 0 388.693 2.295 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Cl)cc(Br)c1 ZINC000649073133 651814461 /nfs/dbraw/zinc/81/44/61/651814461.db2.gz PETUKJZPCIQJJZ-JTQLQIEISA-N 1 0 388.693 2.295 20 0 GEADRO COc1ccc(Br)cc1CC(=O)NC[C@@H]1CCNCC1(F)F ZINC000571196476 651816494 /nfs/dbraw/zinc/81/64/94/651816494.db2.gz NYWJXYFLWJQONM-NSHDSACASA-N 1 0 377.229 2.361 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000571194342 651816504 /nfs/dbraw/zinc/81/65/04/651816504.db2.gz BTRIZMYPAKAYTR-SNVBAGLBSA-N 1 0 396.285 2.067 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cc1ccn(C)n1 ZINC000571199291 651816818 /nfs/dbraw/zinc/81/68/18/651816818.db2.gz BORFTJGROVUSEO-UHFFFAOYSA-N 1 0 394.317 2.362 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000649129326 651817040 /nfs/dbraw/zinc/81/70/40/651817040.db2.gz 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ZINC000614435840 651827138 /nfs/dbraw/zinc/82/71/38/651827138.db2.gz LVORHOARXYFLBM-GFCCVEGCSA-N 1 0 385.306 2.062 20 0 GEADRO C[C@@H](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)n1cc(Br)cn1 ZINC000614431810 651827374 /nfs/dbraw/zinc/82/73/74/651827374.db2.gz FZLDWQKCRJOAFB-HOCLYGCPSA-N 1 0 399.333 2.310 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000736666828 651830151 /nfs/dbraw/zinc/83/01/51/651830151.db2.gz XAVOCXCONQBUEB-SWLSCSKDSA-N 1 0 376.284 2.047 20 0 GEADRO O=C(c1cc(Cl)cc(F)c1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000571401174 651830837 /nfs/dbraw/zinc/83/08/37/651830837.db2.gz RYTQTDWSAMXFTR-NSHDSACASA-N 1 0 390.684 2.361 20 0 GEADRO CCC[N@H+](C)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)c1ccc(Cl)cc1 ZINC000614675380 651832066 /nfs/dbraw/zinc/83/20/66/651832066.db2.gz VSJIZXRBDBPCME-CJNGLKHVSA-N 1 0 389.949 2.167 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)c(Br)c1 ZINC000571448430 651832939 /nfs/dbraw/zinc/83/29/39/651832939.db2.gz GNZXVWSNHCOUGD-HNNXBMFYSA-N 1 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C[N@H+](C[C@@H](O)CNCc1ccc(Cl)cc1I)C1CC1 ZINC000571993259 651865674 /nfs/dbraw/zinc/86/56/74/651865674.db2.gz AMOZLHHCRGXLBP-ZDUSSCGKSA-N 1 0 394.684 2.489 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)COc1ccc(Br)cc1 ZINC000571994349 651866105 /nfs/dbraw/zinc/86/61/05/651866105.db2.gz OQEMKDJPEKWYAD-STQMWFEESA-N 1 0 397.235 2.415 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1I ZINC000572000945 651866605 /nfs/dbraw/zinc/86/66/05/651866605.db2.gz XJNPGRFDEKVOLN-NXEZZACHSA-N 1 0 382.267 2.004 20 0 GEADRO C[NH2+]Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000572096294 651872841 /nfs/dbraw/zinc/87/28/41/651872841.db2.gz WYDDRHNINDLOKR-UHFFFAOYSA-N 1 0 387.914 2.380 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000651184116 651874744 /nfs/dbraw/zinc/87/47/44/651874744.db2.gz WPXNANPEQCFIMF-ZWKOTPCHSA-N 1 0 386.945 2.444 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000651208651 651876227 /nfs/dbraw/zinc/87/62/27/651876227.db2.gz ZSZVXDKMBUHBBD-KRWDZBQOSA-N 1 0 380.330 2.134 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000572194324 651878333 /nfs/dbraw/zinc/87/83/33/651878333.db2.gz HMHMAGFSDKYBEV-OAHLLOKOSA-N 1 0 379.302 2.373 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H](CO)CC1CCC1)c1cccc(Br)c1 ZINC000572243436 651881267 /nfs/dbraw/zinc/88/12/67/651881267.db2.gz YRHUWKMPCPAVHF-CQSZACIVSA-N 1 0 376.316 2.364 20 0 GEADRO C[C@H]1CN(C(=O)c2nscc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000651615304 651889781 /nfs/dbraw/zinc/88/97/81/651889781.db2.gz OHHRPSRTQLDMHI-WCQYABFASA-N 1 0 387.347 2.004 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000738366393 651893232 /nfs/dbraw/zinc/89/32/32/651893232.db2.gz IYKGTOXOWIEYNY-UHFFFAOYSA-N 1 0 382.507 2.417 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2Cl)[C@@H](C)C1 ZINC000738379451 651894837 /nfs/dbraw/zinc/89/48/37/651894837.db2.gz CFQZZKYYKAZYDE-UONOGXRCSA-N 1 0 375.922 2.150 20 0 GEADRO C[C@H]1C[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[NH2+]1 ZINC000572494906 651896044 /nfs/dbraw/zinc/89/60/44/651896044.db2.gz ZACDXPKIKIWBAP-CMPLNLGQSA-N 1 0 379.262 2.292 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](C)C[N@H+](C)C(C)C)s1 ZINC000572571007 651900280 /nfs/dbraw/zinc/90/02/80/651900280.db2.gz KHGWNRVGZSFHHB-HIFRSBDPSA-N 1 0 387.571 2.055 20 0 GEADRO O=C(Nc1ccc(Br)cc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000572595376 651902542 /nfs/dbraw/zinc/90/25/42/651902542.db2.gz ZQDUXICMQJQKCT-OAHLLOKOSA-N 1 0 395.301 2.267 20 0 GEADRO CCS(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000616545756 651904213 /nfs/dbraw/zinc/90/42/13/651904213.db2.gz CVEDJVZFNMHFOP-AWEZNQCLSA-N 1 0 385.555 2.141 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000572685558 651904791 /nfs/dbraw/zinc/90/47/91/651904791.db2.gz ZWXGVUATYYESIP-CYBMUJFWSA-N 1 0 380.432 2.403 20 0 GEADRO COc1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c(C)c1F ZINC000572685382 651904813 /nfs/dbraw/zinc/90/48/13/651904813.db2.gz RHCFNIQOTRGXPN-UHFFFAOYSA-N 1 0 376.519 2.248 20 0 GEADRO CSC[C@@H](O)C[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000572714402 651907238 /nfs/dbraw/zinc/90/72/38/651907238.db2.gz HQJMETCZROTYRM-LBPRGKRZSA-N 1 0 396.372 2.315 20 0 GEADRO [NH3+][C@@H]1CCCc2cn(CC(=O)Nc3cccc(I)c3)nc21 ZINC000572750434 651910472 /nfs/dbraw/zinc/91/04/72/651910472.db2.gz STDSOHRNSUAFSJ-CYBMUJFWSA-N 1 0 396.232 2.463 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000652290129 651913435 /nfs/dbraw/zinc/91/34/35/651913435.db2.gz PDEBUMCOEMQLOX-UHFFFAOYSA-N 1 0 394.313 2.283 20 0 GEADRO CCO[C@@H]1CN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000652358363 651916670 /nfs/dbraw/zinc/91/66/70/651916670.db2.gz ZYOQMPZYQALCFP-BXUZGUMPSA-N 1 0 381.325 2.063 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000652522044 651917354 /nfs/dbraw/zinc/91/73/54/651917354.db2.gz QWLHMOLDUWTSFI-AWEZNQCLSA-N 1 0 389.949 2.101 20 0 GEADRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(I)c(C)c1 ZINC000572871100 651918342 /nfs/dbraw/zinc/91/83/42/651918342.db2.gz YEUCDONZNHRWPC-JSGCOSHPSA-N 1 0 393.265 2.102 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)Nc1ccc(F)cc1Br)C2 ZINC000652628322 651919936 /nfs/dbraw/zinc/91/99/36/651919936.db2.gz VYNOHHYHOZBNFN-QFYYESIMSA-N 1 0 384.249 2.114 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000616989932 651920758 /nfs/dbraw/zinc/92/07/58/651920758.db2.gz ZBUDGTWHMLCHBV-LLVKDONJSA-N 1 0 386.290 2.009 20 0 GEADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000572993159 651928130 /nfs/dbraw/zinc/92/81/30/651928130.db2.gz QZRSDJREKGEDEW-KRWDZBQOSA-N 1 0 388.961 2.426 20 0 GEADRO CCNS(=O)(=O)CC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000740897967 651929573 /nfs/dbraw/zinc/92/95/73/651929573.db2.gz KEWXKAYYNPJSOD-UHFFFAOYSA-N 1 0 384.933 2.231 20 0 GEADRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000573043822 651931018 /nfs/dbraw/zinc/93/10/18/651931018.db2.gz UQOBJYWOZXSEIR-SJKOYZFVSA-N 1 0 387.311 2.194 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000653024221 651933113 /nfs/dbraw/zinc/93/31/13/651933113.db2.gz FHXIXEOFSIDNMA-SUMWQHHRSA-N 1 0 385.302 2.134 20 0 GEADRO Cc1c(C(=O)NCCC2(C[NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000653219068 651936203 /nfs/dbraw/zinc/93/62/03/651936203.db2.gz XQWAZRIATLXOCK-UHFFFAOYSA-N 1 0 378.274 2.197 20 0 GEADRO CCO[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000653245175 651936733 /nfs/dbraw/zinc/93/67/33/651936733.db2.gz QAJPZBNORLORFW-FIXISWKDSA-N 1 0 389.265 2.178 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000573142882 651937109 /nfs/dbraw/zinc/93/71/09/651937109.db2.gz QBDHTLDUZJKUAB-HUUCEWRRSA-N 1 0 378.947 2.153 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000573142881 651937149 /nfs/dbraw/zinc/93/71/49/651937149.db2.gz QBDHTLDUZJKUAB-GJZGRUSLSA-N 1 0 378.947 2.153 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@H]1C[NH3+] ZINC000653247157 651937363 /nfs/dbraw/zinc/93/73/63/651937363.db2.gz OAESNWLDFUOVRS-QMTHXVAHSA-N 1 0 394.269 2.139 20 0 GEADRO C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)n1cc(Br)cn1 ZINC000653258397 651937422 /nfs/dbraw/zinc/93/74/22/651937422.db2.gz IFNHQJHUKQYTFI-MIGQKNRLSA-N 1 0 399.333 2.484 20 0 GEADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573181823 651939323 /nfs/dbraw/zinc/93/93/23/651939323.db2.gz OGNZFJGMFVDCFD-ZIAGYGMSSA-N 1 0 375.270 2.316 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000573224096 651942901 /nfs/dbraw/zinc/94/29/01/651942901.db2.gz RJIIWBLIROCRPF-UHFFFAOYSA-N 1 0 376.682 2.451 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000653375739 651943375 /nfs/dbraw/zinc/94/33/75/651943375.db2.gz LRWWGVGJBAMLMW-UHFFFAOYSA-N 1 0 388.331 2.071 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000573244996 651944495 /nfs/dbraw/zinc/94/44/95/651944495.db2.gz CGIXAXKKGUDNHM-YUMQZZPRSA-N 1 0 378.786 2.327 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000653578356 651948275 /nfs/dbraw/zinc/94/82/75/651948275.db2.gz GVEHRSPVVMKDES-ZDUSSCGKSA-N 1 0 396.329 2.228 20 0 GEADRO C[N@H+](CCC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000617453817 651948768 /nfs/dbraw/zinc/94/87/68/651948768.db2.gz JLNMATMORXSFKU-KBPBESRZSA-N 1 0 384.464 2.075 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000653585122 651949388 /nfs/dbraw/zinc/94/93/88/651949388.db2.gz YMHKUJVTSZJLJB-GJZGRUSLSA-N 1 0 383.290 2.215 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000617477615 651953629 /nfs/dbraw/zinc/95/36/29/651953629.db2.gz GCRBDSDRYVWHLZ-NSHDSACASA-N 1 0 386.265 2.245 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1Br ZINC000617505788 651954762 /nfs/dbraw/zinc/95/47/62/651954762.db2.gz QCNNSYKKUNGNAW-LBPRGKRZSA-N 1 0 388.354 2.297 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)COc1ccccc1Br ZINC000617506280 651954805 /nfs/dbraw/zinc/95/48/05/651954805.db2.gz ILUFBEWSPCYJAL-AWEZNQCLSA-N 1 0 386.334 2.216 20 0 GEADRO Cc1ncc2c(n1)CCN(C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C2 ZINC000573441152 651956366 /nfs/dbraw/zinc/95/63/66/651956366.db2.gz AJUIFIYNQIYYAX-KRWDZBQOSA-N 1 0 375.270 2.306 20 0 GEADRO COc1cc(Br)ccc1CCC[NH+]1CCN(c2nncn2C)CC1 ZINC000653824098 651956694 /nfs/dbraw/zinc/95/66/94/651956694.db2.gz TWPWEJTXXBFMHN-UHFFFAOYSA-N 1 0 394.317 2.341 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCC(F)(F)CC1 ZINC000653869782 651958093 /nfs/dbraw/zinc/95/80/93/651958093.db2.gz CQZOUEATHWPCLH-NSHDSACASA-N 1 0 375.441 2.076 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(Br)cc1OCCCO ZINC000573535645 651962301 /nfs/dbraw/zinc/96/23/01/651962301.db2.gz KUKZQJTWCDGVRE-DOMZBBRYSA-N 1 0 385.302 2.482 20 0 GEADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000573547517 651963481 /nfs/dbraw/zinc/96/34/81/651963481.db2.gz JCICSNUETUTABQ-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)cn1 ZINC000617700864 651963762 /nfs/dbraw/zinc/96/37/62/651963762.db2.gz MVCBTXTUIOVXPP-INIZCTEOSA-N 1 0 390.281 2.341 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654582486 651964792 /nfs/dbraw/zinc/96/47/92/651964792.db2.gz UBKXBNVONPBZJC-FIXISWKDSA-N 1 0 398.276 2.036 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000654591444 651964909 /nfs/dbraw/zinc/96/49/09/651964909.db2.gz FJAIKZOEHRRJLB-OTVXOJSOSA-N 1 0 387.933 2.273 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC[C@@H](n2ccnn2)C1)c1ccc(Br)cc1 ZINC000573562475 651964966 /nfs/dbraw/zinc/96/49/66/651964966.db2.gz JSTMDSBQSTTYER-GDBMZVCRSA-N 1 0 378.274 2.078 20 0 GEADRO COCC[NH+]1CCC(NC(=O)[C@H](OC)c2ccccc2Br)CC1 ZINC000654605609 651966052 /nfs/dbraw/zinc/96/60/52/651966052.db2.gz MZAGSJMYYAWBPF-MRXNPFEDSA-N 1 0 385.302 2.364 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000654642572 651966553 /nfs/dbraw/zinc/96/65/53/651966553.db2.gz NUOGAZKQHBYIEB-SJORKVTESA-N 1 0 396.329 2.498 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000654658986 651966588 /nfs/dbraw/zinc/96/65/88/651966588.db2.gz YYPSFORPQBKPIX-FRRDWIJNSA-N 1 0 390.311 2.373 20 0 GEADRO CO[C@H](C(=O)NC1(CCO)CC[NH+](C)CC1)c1ccccc1Br ZINC000654985802 651969511 /nfs/dbraw/zinc/96/95/11/651969511.db2.gz IRGGZEPJXXBGHE-HNNXBMFYSA-N 1 0 385.302 2.100 20 0 GEADRO C[C@@H](CCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[NH+](C)C ZINC000617745508 651969709 /nfs/dbraw/zinc/96/97/09/651969709.db2.gz PTXOHDFNGSPBFF-NSHDSACASA-N 1 0 396.340 2.118 20 0 GEADRO CO[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccccc1Br ZINC000655016619 651971298 /nfs/dbraw/zinc/97/12/98/651971298.db2.gz YTQJUKSAYXHFRB-BBRMVZONSA-N 1 0 399.329 2.440 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617766168 651971608 /nfs/dbraw/zinc/97/16/08/651971608.db2.gz AGZMJWRVYRBQQZ-CQSZACIVSA-N 1 0 386.334 2.216 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000742310568 651978667 /nfs/dbraw/zinc/97/86/67/651978667.db2.gz YOLQIVKUYKYPLA-GXSJLCMTSA-N 1 0 395.294 2.358 20 0 GEADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000573917639 651988910 /nfs/dbraw/zinc/98/89/10/651988910.db2.gz AWIFSRSJDACHKY-YPMHNXCESA-N 1 0 377.901 2.301 20 0 GEADRO CSc1ccc(OC[C@@H](O)C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000573957191 651991023 /nfs/dbraw/zinc/99/10/23/651991023.db2.gz QNMGGLPVONRRDA-ZDUSSCGKSA-N 1 0 386.315 2.397 20 0 GEADRO C[NH+](C)C[C@@H](CNC(=O)C[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000573972575 651992564 /nfs/dbraw/zinc/99/25/64/651992564.db2.gz AHCOBSRCRATRTL-GDBMZVCRSA-N 1 0 386.945 2.316 20 0 GEADRO CC(=O)N[C@H](CC(=O)N(C)CC1C[NH+](C)C1)c1ccc(Br)cc1 ZINC000618196640 651995862 /nfs/dbraw/zinc/99/58/62/651995862.db2.gz FXYLAZUCEPZFRW-MRXNPFEDSA-N 1 0 382.302 2.036 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618194303 651995945 /nfs/dbraw/zinc/99/59/45/651995945.db2.gz YOBPSWPWSDTHQZ-AWEZNQCLSA-N 1 0 384.567 2.371 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000574038973 651996518 /nfs/dbraw/zinc/99/65/18/651996518.db2.gz CFCAPZJDKZSHCI-UONOGXRCSA-N 1 0 397.313 2.430 20 0 GEADRO CCC[C@@H](CCO)C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000742709472 651998477 /nfs/dbraw/zinc/99/84/77/651998477.db2.gz HKYMELLHTJQQCD-KBPBESRZSA-N 1 0 377.938 2.093 20 0 GEADRO CN(C)c1ncccc1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000574072227 651999073 /nfs/dbraw/zinc/99/90/73/651999073.db2.gz RWMZHMAKLONNIK-OAHLLOKOSA-N 1 0 380.286 2.440 20 0 GEADRO COc1cc(CN(C)[C@H]2CC[NH2+]C2)cc(I)c1OC ZINC000574082740 652000338 /nfs/dbraw/zinc/00/03/38/652000338.db2.gz UBRBWOBKQHBRMQ-NSHDSACASA-N 1 0 376.238 2.102 20 0 GEADRO CC[N@H+](CCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C1CC1 ZINC000574097402 652001222 /nfs/dbraw/zinc/00/12/22/652001222.db2.gz JYHHLAFNGQLHQG-AWEZNQCLSA-N 1 0 380.286 2.475 20 0 GEADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000574163992 652005150 /nfs/dbraw/zinc/00/51/50/652005150.db2.gz KSCURZQZWBPPJV-UHFFFAOYSA-N 1 0 382.675 2.280 20 0 GEADRO C[C@H](OC[C@@H](O)C[NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000574195049 652007371 /nfs/dbraw/zinc/00/73/71/652007371.db2.gz ASKPCIVFDZUWHI-VBQJREDUSA-N 1 0 375.918 2.193 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000655708808 652008297 /nfs/dbraw/zinc/00/82/97/652008297.db2.gz TZNJLQYIFAPURA-ZDUSSCGKSA-N 1 0 398.326 2.468 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000655708807 652008669 /nfs/dbraw/zinc/00/86/69/652008669.db2.gz TZNJLQYIFAPURA-CYBMUJFWSA-N 1 0 398.326 2.468 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000655751742 652009882 /nfs/dbraw/zinc/00/98/82/652009882.db2.gz DUDNHLZGNSISRN-LLVKDONJSA-N 1 0 386.315 2.466 20 0 GEADRO Cc1ccc(-c2ncc(C[NH2+]CC3(O)CCS(=O)(=O)CC3)s2)cc1C ZINC000655742078 652009954 /nfs/dbraw/zinc/00/99/54/652009954.db2.gz ORFALMMAAHSJCI-UHFFFAOYSA-N 1 0 380.535 2.456 20 0 GEADRO O=C(N[C@H]1CSCc2ccc(Br)cc21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000618361749 652010922 /nfs/dbraw/zinc/01/09/22/652010922.db2.gz SCQMTXFSBGTVCV-HOTGVXAUSA-N 1 0 396.354 2.243 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655801747 652011535 /nfs/dbraw/zinc/01/15/35/652011535.db2.gz VGPDVGFQAMEOFB-BARDWOONSA-N 1 0 386.334 2.087 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000655784631 652011569 /nfs/dbraw/zinc/01/15/69/652011569.db2.gz FMAXPEUKAVILPX-HNNXBMFYSA-N 1 0 391.269 2.180 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCCc2sccc21 ZINC000574297291 652014460 /nfs/dbraw/zinc/01/44/60/652014460.db2.gz HQUAZYHSACHLNP-GXTWGEPZSA-N 1 0 376.448 2.261 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)C(F)(F)F ZINC000655957909 652015507 /nfs/dbraw/zinc/01/55/07/652015507.db2.gz BNCSBJZNLOXGJS-MRVPVSSYSA-N 1 0 388.571 2.047 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000655969695 652016775 /nfs/dbraw/zinc/01/67/75/652016775.db2.gz WWONDIHJAZLIAF-GOEBONIOSA-N 1 0 392.301 2.127 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656079460 652021258 /nfs/dbraw/zinc/02/12/58/652021258.db2.gz HWBYFTGCCDXCER-AKAXFMLLSA-N 1 0 396.329 2.172 20 0 GEADRO CO[C@H]1CCN(C(=O)c2ccc(I)c(F)c2)[C@@H](C[NH3+])C1 ZINC000574511639 652026751 /nfs/dbraw/zinc/02/67/51/652026751.db2.gz PUAFUFVLFYRTDS-MNOVXSKESA-N 1 0 392.212 2.009 20 0 GEADRO O[C@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)COc1ccc(Br)cc1 ZINC000574519047 652027278 /nfs/dbraw/zinc/02/72/78/652027278.db2.gz BLGZKCFOINYWCP-FHLIZLRMSA-N 1 0 378.266 2.437 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000574567217 652031124 /nfs/dbraw/zinc/03/11/24/652031124.db2.gz XKDZOURYEXJRMG-NORZTCDRSA-N 1 0 391.295 2.101 20 0 GEADRO C[C@@H]1CC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@@H](C)O1 ZINC000574620219 652032012 /nfs/dbraw/zinc/03/20/12/652032012.db2.gz JGDROUKJYKMZBT-NXEZZACHSA-N 1 0 377.304 2.142 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)c2cc(Br)ccc21 ZINC000618857050 652034562 /nfs/dbraw/zinc/03/45/62/652034562.db2.gz ODRDKCGIUNLREM-MRXNPFEDSA-N 1 0 378.314 2.463 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000574659056 652034789 /nfs/dbraw/zinc/03/47/89/652034789.db2.gz WLCCSYHJJMYJGH-UHFFFAOYSA-N 1 0 398.301 2.087 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000656553419 652038197 /nfs/dbraw/zinc/03/81/97/652038197.db2.gz OWOFWJOCXMLGGH-UHFFFAOYSA-N 1 0 381.523 2.145 20 0 GEADRO Cc1c(Br)cc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c(=O)n1C ZINC000618985112 652040392 /nfs/dbraw/zinc/04/03/92/652040392.db2.gz DMIGKBUUOBGHFO-GFCCVEGCSA-N 1 0 384.318 2.306 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000574776764 652042829 /nfs/dbraw/zinc/04/28/29/652042829.db2.gz PKAOPHQIXOEIJN-UHFFFAOYSA-N 1 0 378.274 2.387 20 0 GEADRO [NH3+]C1(C(=O)NCCOc2ccc(I)cc2)CCCCC1 ZINC000574803355 652044405 /nfs/dbraw/zinc/04/44/05/652044405.db2.gz UWUDTLSVJDOGDK-UHFFFAOYSA-N 1 0 388.249 2.448 20 0 GEADRO COCC[C@@H](C)[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000574835571 652046058 /nfs/dbraw/zinc/04/60/58/652046058.db2.gz IEPXRRNRUCWWAJ-CQSZACIVSA-N 1 0 385.302 2.397 20 0 GEADRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000656698040 652046529 /nfs/dbraw/zinc/04/65/29/652046529.db2.gz OAJXPACRQUEBAZ-SFHVURJKSA-N 1 0 384.362 2.268 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](CCO)CC(C)C ZINC000744446887 652048561 /nfs/dbraw/zinc/04/85/61/652048561.db2.gz DEVDYSLDZYXFNP-LSDHHAIUSA-N 1 0 391.965 2.339 20 0 GEADRO CC(C)(CNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)[NH+]1CCCCC1 ZINC000574906227 652051535 /nfs/dbraw/zinc/05/15/35/652051535.db2.gz HHUJCLTWDGYKMP-UHFFFAOYSA-N 1 0 386.543 2.000 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)cc(Br)c3)C[C@H]12 ZINC000575106633 652062593 /nfs/dbraw/zinc/06/25/93/652062593.db2.gz LTSZVHBALYPBOQ-OXHMUOHRSA-N 1 0 386.677 2.237 20 0 GEADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000656890557 652063267 /nfs/dbraw/zinc/06/32/67/652063267.db2.gz XAHQJHKYCFVFQP-CQSZACIVSA-N 1 0 386.480 2.339 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)COC1CCC([NH3+])CC1 ZINC000575120115 652063677 /nfs/dbraw/zinc/06/36/77/652063677.db2.gz KLTSPLFSPJWVPZ-UHFFFAOYSA-N 1 0 398.301 2.099 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ncccc1Br ZINC000656895760 652065101 /nfs/dbraw/zinc/06/51/01/652065101.db2.gz CLAHEJBHBQTTON-VXGBXAGGSA-N 1 0 376.320 2.385 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000656897168 652065408 /nfs/dbraw/zinc/06/54/08/652065408.db2.gz OKJNKNSCKLMMRS-CQSZACIVSA-N 1 0 391.306 2.492 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1Br ZINC000575182031 652067690 /nfs/dbraw/zinc/06/76/90/652067690.db2.gz QCEABNDZGYIFJZ-SNVBAGLBSA-N 1 0 377.242 2.321 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[N@@H+]1C ZINC000575201077 652068569 /nfs/dbraw/zinc/06/85/69/652068569.db2.gz UDMWAVFBFJEAEE-ZYHUDNBSSA-N 1 0 395.301 2.259 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000575743985 652074208 /nfs/dbraw/zinc/07/42/08/652074208.db2.gz HQOVFTUMNLTSRC-BXUZGUMPSA-N 1 0 380.286 2.333 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[S@@](C)=O ZINC000745847222 652087276 /nfs/dbraw/zinc/08/72/76/652087276.db2.gz DKUSUMCJPIVAJS-RUZDIDTESA-N 1 0 379.448 2.157 20 0 GEADRO NS(=O)(=O)c1cc(F)c(NC[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000575973169 652088155 /nfs/dbraw/zinc/08/81/55/652088155.db2.gz UGHMSICXDSMNMQ-SECBINFHSA-N 1 0 392.294 2.132 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000620142744 652092312 /nfs/dbraw/zinc/09/23/12/652092312.db2.gz YQUCNNBHCXJGTK-LBPRGKRZSA-N 1 0 377.304 2.220 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H](O)C(F)F ZINC000576065430 652093775 /nfs/dbraw/zinc/09/37/75/652093775.db2.gz XPCBYIBTMKBHQS-GFCCVEGCSA-N 1 0 396.228 2.415 20 0 GEADRO CN(Cc1c(Cl)cccc1Cl)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000746028175 652094233 /nfs/dbraw/zinc/09/42/33/652094233.db2.gz GDBAMXWMTOXZPM-UHFFFAOYSA-N 1 0 385.295 2.399 20 0 GEADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576090691 652095489 /nfs/dbraw/zinc/09/54/89/652095489.db2.gz BIZSDMPJZNFGMK-QGZVFWFLSA-N 1 0 376.507 2.412 20 0 GEADRO COC(=O)[C@@](C)(NC(=O)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000746240594 652098619 /nfs/dbraw/zinc/09/86/19/652098619.db2.gz PBUSTUGPUAFZQR-KRWDZBQOSA-N 1 0 383.286 2.295 20 0 GEADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000576272131 652101323 /nfs/dbraw/zinc/10/13/23/652101323.db2.gz RHDFESWWPXRLLO-RBSFLKMASA-N 1 0 375.918 2.334 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000620527456 652106605 /nfs/dbraw/zinc/10/66/05/652106605.db2.gz RYOFMCWMWCHLKZ-QWRGUYRKSA-N 1 0 390.347 2.475 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000620541173 652107079 /nfs/dbraw/zinc/10/70/79/652107079.db2.gz FWRFVYVMFBITOG-ZDUSSCGKSA-N 1 0 375.922 2.143 20 0 GEADRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000576352132 652109320 /nfs/dbraw/zinc/10/93/20/652109320.db2.gz NAEBEQWJNNCBLE-CVEARBPZSA-N 1 0 388.917 2.021 20 0 GEADRO C[C@@H](CCNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)[NH+](C)C ZINC000657091875 652111372 /nfs/dbraw/zinc/11/13/72/652111372.db2.gz QVQKHCNJOOKEEO-ZDUSSCGKSA-N 1 0 389.587 2.071 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1Br ZINC000657092991 652111899 /nfs/dbraw/zinc/11/18/99/652111899.db2.gz VJFXSYZGFBMRCD-JTQLQIEISA-N 1 0 395.319 2.085 20 0 GEADRO CCC[NH2+][C@H](C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000576396822 652113792 /nfs/dbraw/zinc/11/37/92/652113792.db2.gz MEDODGFGFCESCJ-CYBMUJFWSA-N 1 0 384.318 2.302 20 0 GEADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000576420060 652116090 /nfs/dbraw/zinc/11/60/90/652116090.db2.gz XAEXENZBJWDEIZ-KBPBESRZSA-N 1 0 387.571 2.042 20 0 GEADRO O=C(CCn1cc(Br)cn1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620771141 652120247 /nfs/dbraw/zinc/12/02/47/652120247.db2.gz WKPVNFJCKHPNGG-INIZCTEOSA-N 1 0 377.286 2.426 20 0 GEADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1cc(Br)cc2c1OCC2 ZINC000576518422 652124206 /nfs/dbraw/zinc/12/42/06/652124206.db2.gz VEWLDHFBFBFHGG-CYBMUJFWSA-N 1 0 389.315 2.195 20 0 GEADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000620915688 652127174 /nfs/dbraw/zinc/12/71/74/652127174.db2.gz NKCJYPZPXHRWQF-ZDUSSCGKSA-N 1 0 398.301 2.265 20 0 GEADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cnn2cc(Br)cnc12 ZINC000620932305 652127782 /nfs/dbraw/zinc/12/77/82/652127782.db2.gz BCQGROKOOKDNQE-UHFFFAOYSA-N 1 0 392.301 2.344 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621286916 652142222 /nfs/dbraw/zinc/14/22/22/652142222.db2.gz WOGVVIHNILKIPL-HZPDHXFCSA-N 1 0 377.913 2.142 20 0 GEADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000576816193 652144482 /nfs/dbraw/zinc/14/44/82/652144482.db2.gz QQCPPGOQBLBYLH-KDOFPFPSSA-N 1 0 382.913 2.373 20 0 GEADRO C[NH+](C)CCN1CCN(c2nc3c(cccc3Br)s2)CC1=O ZINC000621333148 652150362 /nfs/dbraw/zinc/15/03/62/652150362.db2.gz VKHIIEFNRDIDIM-UHFFFAOYSA-N 1 0 383.315 2.269 20 0 GEADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NC[C@@H]([NH3+])CC ZINC000576989250 652160963 /nfs/dbraw/zinc/16/09/63/652160963.db2.gz OHNHZZAYHFGSKS-LSDHHAIUSA-N 1 0 399.333 2.271 20 0 GEADRO CN(c1ccc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1)S(C)(=O)=O ZINC000657357578 652162074 /nfs/dbraw/zinc/16/20/74/652162074.db2.gz YLQSZDAAQTVUGW-UHFFFAOYSA-N 1 0 376.404 2.125 20 0 GEADRO Cc1c(Br)cncc1C[NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000657383966 652162609 /nfs/dbraw/zinc/16/26/09/652162609.db2.gz PLUBARJHQIQABJ-ZUZCIYMTSA-N 1 0 378.274 2.170 20 0 GEADRO Cc1c(Br)cncc1C[NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000657383964 652163329 /nfs/dbraw/zinc/16/33/29/652163329.db2.gz PLUBARJHQIQABJ-MEBBXXQBSA-N 1 0 378.274 2.170 20 0 GEADRO [NH3+]C1(CNC(=O)c2ccc(Br)cc2-n2cnnn2)CCCCCC1 ZINC000621620663 652165197 /nfs/dbraw/zinc/16/51/97/652165197.db2.gz DKJDDMGBEAGZIT-UHFFFAOYSA-N 1 0 393.289 2.206 20 0 GEADRO C[N@H+](C[C@@H](O)CNCc1nc(-c2cccc(Br)c2)no1)C1CC1 ZINC000577172727 652167827 /nfs/dbraw/zinc/16/78/27/652167827.db2.gz BBENCGRKPKQPQM-AWEZNQCLSA-N 1 0 381.274 2.044 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577178084 652168411 /nfs/dbraw/zinc/16/84/11/652168411.db2.gz FQHPCXIJYUHCQY-HOTGVXAUSA-N 1 0 391.339 2.416 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CCO1 ZINC000621851365 652169293 /nfs/dbraw/zinc/16/92/93/652169293.db2.gz RVFCZBRSFXCTMG-GXFFZTMASA-N 1 0 392.244 2.299 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cscc2C(F)(F)F)CC1 ZINC000621855744 652169406 /nfs/dbraw/zinc/16/94/06/652169406.db2.gz SZHMYLOQVLWICH-UHFFFAOYSA-N 1 0 377.432 2.393 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(Br)c[nH]c1=O ZINC000621920451 652170197 /nfs/dbraw/zinc/17/01/97/652170197.db2.gz CFTQUIZGHGLQFB-HUUCEWRRSA-N 1 0 398.301 2.047 20 0 GEADRO Cc1nn(C)cc1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000577235769 652172546 /nfs/dbraw/zinc/17/25/46/652172546.db2.gz NQZYYMWGAGNNFV-UHFFFAOYSA-N 1 0 384.221 2.061 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000657548482 652172503 /nfs/dbraw/zinc/17/25/03/652172503.db2.gz XJVOLMSXQPPPKM-UHFFFAOYSA-N 1 0 386.880 2.364 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1F)C[NH+]1CCCC1 ZINC000657571482 652173996 /nfs/dbraw/zinc/17/39/96/652173996.db2.gz YAPGOFLVZNVWRM-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622014998 652175019 /nfs/dbraw/zinc/17/50/19/652175019.db2.gz ODPYGWNXJOFAPT-NHYWBVRUSA-N 1 0 388.331 2.017 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622014640 652175175 /nfs/dbraw/zinc/17/51/75/652175175.db2.gz IVNKLVLARXBLPE-GUYCJALGSA-N 1 0 388.917 2.257 20 0 GEADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc(F)c(Br)cc1F)C2 ZINC000622014433 652175212 /nfs/dbraw/zinc/17/52/12/652175212.db2.gz DYYPSIQDNLERKZ-ISVAXAHUSA-N 1 0 381.242 2.229 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000577274271 652175427 /nfs/dbraw/zinc/17/54/27/652175427.db2.gz WAQINUKZSISOJQ-AWEZNQCLSA-N 1 0 394.313 2.137 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)CCCOc1ccc(I)cc1 ZINC000577279155 652176630 /nfs/dbraw/zinc/17/66/30/652176630.db2.gz AIGYZGFVPUIMJN-GFCCVEGCSA-N 1 0 376.238 2.304 20 0 GEADRO OCCO[C@]1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCOC1 ZINC000657597354 652177376 /nfs/dbraw/zinc/17/73/76/652177376.db2.gz MNVAIWDTJFTOTH-HNNXBMFYSA-N 1 0 396.228 2.308 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CC[C@@H](C)S(=O)(=O)C3)cnc12 ZINC000657640015 652183665 /nfs/dbraw/zinc/18/36/65/652183665.db2.gz UREMNIOQTQRMCT-YPMHNXCESA-N 1 0 386.315 2.461 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2sccc2Br)CC1 ZINC000622150706 652186550 /nfs/dbraw/zinc/18/65/50/652186550.db2.gz GHNFTSGZUJUSRM-UHFFFAOYSA-N 1 0 389.363 2.336 20 0 GEADRO Cc1nc[nH]c1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000748000279 652187986 /nfs/dbraw/zinc/18/79/86/652187986.db2.gz RVPQXCCCAQOWTB-UHFFFAOYSA-N 1 0 382.873 2.086 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657667082 652188037 /nfs/dbraw/zinc/18/80/37/652188037.db2.gz XTQPZUCKGIFASX-JTQLQIEISA-N 1 0 384.249 2.188 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000657676085 652189627 /nfs/dbraw/zinc/18/96/27/652189627.db2.gz KYJKCTPHIHTAEP-ONGXEEELSA-N 1 0 386.265 2.434 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000577492337 652192292 /nfs/dbraw/zinc/19/22/92/652192292.db2.gz IJPBGIBSDSOJHU-WDEREUQCSA-N 1 0 386.823 2.486 20 0 GEADRO O=C(N[C@H]1CCc2c1cccc2Br)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000577628698 652203331 /nfs/dbraw/zinc/20/33/31/652203331.db2.gz UNHRPUUEIHRWNF-ABAIWWIYSA-N 1 0 390.285 2.210 20 0 GEADRO CC[NH+](CC)CCN(C(=O)[C@@H](COC)OC)c1ccc(Br)cn1 ZINC000622859978 652203866 /nfs/dbraw/zinc/20/38/66/652203866.db2.gz IWWMTCHROMOOOG-CQSZACIVSA-N 1 0 388.306 2.180 20 0 GEADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCN(C)S1(=O)=O)c1ccc(Cl)cc1 ZINC000622937901 652207514 /nfs/dbraw/zinc/20/75/14/652207514.db2.gz AGZSHBJAZIOMDF-MRXNPFEDSA-N 1 0 387.933 2.049 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657811596 652208377 /nfs/dbraw/zinc/20/83/77/652208377.db2.gz DRZBEMLVXAMJRP-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO CN(C(=O)C(=O)Nc1cccc(Br)c1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657839993 652209818 /nfs/dbraw/zinc/20/98/18/652209818.db2.gz KGMDJDWPNCAFDX-NSHDSACASA-N 1 0 384.249 2.222 20 0 GEADRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000577722415 652210389 /nfs/dbraw/zinc/21/03/89/652210389.db2.gz QWYCDZUXIFWOCK-MRXNPFEDSA-N 1 0 387.318 2.163 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657859974 652211202 /nfs/dbraw/zinc/21/12/02/652211202.db2.gz ZTFIXIGLWCAKTQ-RISCZKNCSA-N 1 0 398.276 2.469 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657896742 652214708 /nfs/dbraw/zinc/21/47/08/652214708.db2.gz BMXKPKQYHSOMNZ-LLVKDONJSA-N 1 0 386.265 2.469 20 0 GEADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000657956889 652221539 /nfs/dbraw/zinc/22/15/39/652221539.db2.gz KAAAJQVIQSMJLV-UHFFFAOYSA-N 1 0 386.949 2.000 20 0 GEADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000623075578 652222555 /nfs/dbraw/zinc/22/25/55/652222555.db2.gz MCLRZCMEICOHRV-OAHLLOKOSA-N 1 0 386.290 2.042 20 0 GEADRO O=C(NCC[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000577859292 652223395 /nfs/dbraw/zinc/22/33/95/652223395.db2.gz SDSYBQILPZTPLC-MRXNPFEDSA-N 1 0 393.281 2.208 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc(Br)cc1S(N)(=O)=O ZINC000577993487 652234353 /nfs/dbraw/zinc/23/43/53/652234353.db2.gz BGQLARCUAXNFHT-SNVBAGLBSA-N 1 0 379.324 2.024 20 0 GEADRO CC[C@H]([NH2+]CC[C@@H](COC)OC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658081241 652235828 /nfs/dbraw/zinc/23/58/28/652235828.db2.gz HHOOCMSIBPCTGL-ZFWWWQNUSA-N 1 0 378.922 2.340 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000623461653 652238763 /nfs/dbraw/zinc/23/87/63/652238763.db2.gz QWHWWIJBTXXGHZ-UHFFFAOYSA-N 1 0 385.306 2.384 20 0 GEADRO COc1cc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)ccc1Cl ZINC000623470557 652239249 /nfs/dbraw/zinc/23/92/49/652239249.db2.gz PTHROHNWRWQSFA-GFCCVEGCSA-N 1 0 375.899 2.335 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000578055056 652239524 /nfs/dbraw/zinc/23/95/24/652239524.db2.gz YSFPKRQWEVPACP-NSHDSACASA-N 1 0 396.340 2.118 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000578062075 652240125 /nfs/dbraw/zinc/24/01/25/652240125.db2.gz UQLNKLDOWAIHRG-BXUZGUMPSA-N 1 0 393.289 2.147 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc2c(cc1Br)NC(=O)CO2 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GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000658362987 652256593 /nfs/dbraw/zinc/25/65/93/652256593.db2.gz KMMVRFMLXLNNJM-GFCCVEGCSA-N 1 0 377.304 2.220 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)[C@H]1CC[N@H+](C)C1 ZINC000658363102 652257075 /nfs/dbraw/zinc/25/70/75/652257075.db2.gz ZBTLRHPYBJYDFR-LBPRGKRZSA-N 1 0 395.301 2.213 20 0 GEADRO C[C@H](NS(=O)(=O)Cc1cc(F)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000658364561 652257334 /nfs/dbraw/zinc/25/73/34/652257334.db2.gz BDSMXFAJVVBIHX-WDEREUQCSA-N 1 0 379.295 2.396 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000623735251 652257609 /nfs/dbraw/zinc/25/76/09/652257609.db2.gz OZQBIFDMGRKOCT-MFKMUULPSA-N 1 0 383.290 2.277 20 0 GEADRO C[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(C)(C)C[NH+](C)C ZINC000749540010 652257805 /nfs/dbraw/zinc/25/78/05/652257805.db2.gz GBQDBHFFVNHLBH-LLVKDONJSA-N 1 0 395.305 2.131 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000658366837 652258141 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C[C@@H](C[C@@H]1COCC[NH2+]1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000578313939 652261438 /nfs/dbraw/zinc/26/14/38/652261438.db2.gz CBSKOESWNGJFMK-SMDDNHRTSA-N 1 0 380.290 2.091 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(Br)c1 ZINC000578315837 652261465 /nfs/dbraw/zinc/26/14/65/652261465.db2.gz CPLIOKPXMLIQKJ-CYBMUJFWSA-N 1 0 384.299 2.093 20 0 GEADRO O=S(=O)(CCc1ccccc1Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000658381861 652261734 /nfs/dbraw/zinc/26/17/34/652261734.db2.gz LKRXXFQHWTVUPJ-UHFFFAOYSA-N 1 0 385.961 2.018 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Cl ZINC000658382517 652261811 /nfs/dbraw/zinc/26/18/11/652261811.db2.gz OAEJOWZTBHAWNZ-DOTOQJQBSA-N 1 0 388.917 2.256 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCn2cc(Br)ccc2=O)C[C@@H]1C ZINC000578320610 652262058 /nfs/dbraw/zinc/26/20/58/652262058.db2.gz KCNZJPPNQGKVKG-DZGCQCFKSA-N 1 0 399.333 2.125 20 0 GEADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ncccc1Br ZINC000658384222 652262618 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C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000658410152 652267575 /nfs/dbraw/zinc/26/75/75/652267575.db2.gz IDVNJYQYTOHXKY-SSDOTTSWSA-N 1 0 375.210 2.354 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl)[NH+](C)C ZINC000658423888 652268947 /nfs/dbraw/zinc/26/89/47/652268947.db2.gz NOAXIJDOISOCNE-VIFPVBQESA-N 1 0 376.682 2.497 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000658423761 652269150 /nfs/dbraw/zinc/26/91/50/652269150.db2.gz JWZPXLIKSAVGSK-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[NH+](C)C ZINC000658428989 652270968 /nfs/dbraw/zinc/27/09/68/652270968.db2.gz UZFKTADUEMRQNQ-SECBINFHSA-N 1 0 376.682 2.497 20 0 GEADRO C[C@H]1CN(c2nccc(-c3ccc(Br)cc3)n2)CC[N@@H+]1CCO ZINC000624124690 652271515 /nfs/dbraw/zinc/27/15/15/652271515.db2.gz JGZZKSBTXMXSMA-ZDUSSCGKSA-N 1 0 377.286 2.409 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)[C@@H](C[NH3+])C1 ZINC000578443655 652273962 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CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000749978454 652277776 /nfs/dbraw/zinc/27/77/76/652277776.db2.gz ZKEOWVAMPYNHFT-LBPRGKRZSA-N 1 0 375.922 2.050 20 0 GEADRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624285276 652279863 /nfs/dbraw/zinc/27/98/63/652279863.db2.gz OIBYGXPIWLHZEA-LBPRGKRZSA-N 1 0 379.448 2.107 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000578618492 652283113 /nfs/dbraw/zinc/28/31/13/652283113.db2.gz BLKYVRJGWAWTHG-ZENOOKHLSA-N 1 0 387.318 2.017 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000624366316 652284014 /nfs/dbraw/zinc/28/40/14/652284014.db2.gz VUTVBWHGGZJDET-ZWNOBZJWSA-N 1 0 377.279 2.269 20 0 GEADRO Cc1sc(NC(=O)CN2CCO[C@H](C[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000578627287 652284051 /nfs/dbraw/zinc/28/40/51/652284051.db2.gz SEOLBWBLQOIYIT-CQSZACIVSA-N 1 0 380.901 2.370 20 0 GEADRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)CCC(F)(F)F)cc1 ZINC000624375361 652284470 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GGOXZDDUGIEAMA-RBSFLKMASA-N 1 0 386.480 2.371 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)c1F ZINC000624391885 652288502 /nfs/dbraw/zinc/28/85/02/652288502.db2.gz FVGGWPFTBMOCMZ-QWRGUYRKSA-N 1 0 384.395 2.291 20 0 GEADRO C[C@H](COC1CCCC1)CS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624391853 652288508 /nfs/dbraw/zinc/28/85/08/652288508.db2.gz FISWHPVGLZNJRX-IPYPFGDCSA-N 1 0 386.480 2.371 20 0 GEADRO CC(C)Oc1cncc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000624392259 652288964 /nfs/dbraw/zinc/28/89/64/652288964.db2.gz NFJZHOQOJBGOER-BXUZGUMPSA-N 1 0 381.420 2.017 20 0 GEADRO O=C(NCCc1ccc(Br)cc1Cl)NC[C@H]1C[NH2+]CCCO1 ZINC000578730636 652289018 /nfs/dbraw/zinc/28/90/18/652289018.db2.gz UDFYDZNYWVHXEH-CYBMUJFWSA-N 1 0 390.709 2.323 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000624394152 652289697 /nfs/dbraw/zinc/28/96/97/652289697.db2.gz WAJBPZSDQRYVGK-WDEREUQCSA-N 1 0 381.267 2.016 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000624392630 652289730 /nfs/dbraw/zinc/28/97/30/652289730.db2.gz VUOKAUXQTPZSFU-BDAKNGLRSA-N 1 0 391.337 2.248 20 0 GEADRO C[NH2+]CCOCCN(C)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000624397881 652290434 /nfs/dbraw/zinc/29/04/34/652290434.db2.gz NWPXUDMSQHQYAK-UHFFFAOYSA-N 1 0 399.738 2.100 20 0 GEADRO C[C@H]1CC[C@H](NS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)C[NH2+]1 ZINC000624404239 652291164 /nfs/dbraw/zinc/29/11/64/652291164.db2.gz LCGYZRVAUAZSBZ-QWRGUYRKSA-N 1 0 386.315 2.360 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000624405068 652291200 /nfs/dbraw/zinc/29/12/00/652291200.db2.gz BFFSANYALLIDHR-GHMZBOCLSA-N 1 0 377.304 2.267 20 0 GEADRO [NH3+]CCCOCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000624408200 652291866 /nfs/dbraw/zinc/29/18/66/652291866.db2.gz JBYRBSNIDMPZIU-UHFFFAOYSA-N 1 0 376.906 2.163 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(F)ccc1Br)C2 ZINC000624412317 652292233 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C[C@H]1C[C@H](NC(=O)c2cccn3c(I)cnc23)CC[N@@H+]1C ZINC000750613948 652300536 /nfs/dbraw/zinc/30/05/36/652300536.db2.gz SUAMSEWCLQAMFB-WDEREUQCSA-N 1 0 398.248 2.151 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000750627686 652303408 /nfs/dbraw/zinc/30/34/08/652303408.db2.gz ZYZRIWLPCQEIQF-VWLOTQADSA-N 1 0 381.420 2.356 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000624790555 652303630 /nfs/dbraw/zinc/30/36/30/652303630.db2.gz RJVYZAXPLXULQO-UHFFFAOYSA-N 1 0 384.420 2.460 20 0 GEADRO Cn1cnc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000578966249 652307380 /nfs/dbraw/zinc/30/73/80/652307380.db2.gz XZWSLJIMOCDHPA-AWEZNQCLSA-N 1 0 384.299 2.233 20 0 GEADRO COCCN1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000578979767 652308360 /nfs/dbraw/zinc/30/83/60/652308360.db2.gz LEZTVDOWLVFVDJ-INIZCTEOSA-N 1 0 384.318 2.478 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2OCC)C1 ZINC000658778976 652312844 /nfs/dbraw/zinc/31/28/44/652312844.db2.gz MHTUSFVPUHEJRR-ZDUSSCGKSA-N 1 0 398.301 2.387 20 0 GEADRO CCO[C@H](CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000624964452 652315916 /nfs/dbraw/zinc/31/59/16/652315916.db2.gz QFMFWJGRXVVXRF-QGZVFWFLSA-N 1 0 390.615 2.473 20 0 GEADRO CO[C@H](CS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C1CC1 ZINC000579109667 652317982 /nfs/dbraw/zinc/31/79/82/652317982.db2.gz WQBAYPFZAKUDMU-MRXNPFEDSA-N 1 0 376.906 2.447 20 0 GEADRO CC(C)[N@H+](C)C[C@H](O)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000579128833 652318821 /nfs/dbraw/zinc/31/88/21/652318821.db2.gz RWLCJSADJXTSQP-MAUKXSAKSA-N 1 0 397.313 2.167 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000579127985 652319270 /nfs/dbraw/zinc/31/92/70/652319270.db2.gz LSDIDRVUNDEGBV-UHFFFAOYSA-N 1 0 394.313 2.117 20 0 GEADRO OCc1cn(CCC[NH2+]Cc2cccc(Br)c2OC(F)F)nn1 ZINC000579177896 652322122 /nfs/dbraw/zinc/32/21/22/652322122.db2.gz VXOMNPANBYDGFD-UHFFFAOYSA-N 1 0 391.216 2.314 20 0 GEADRO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000579192853 652323191 /nfs/dbraw/zinc/32/31/91/652323191.db2.gz RUNSMHDQZDPMNF-OAHLLOKOSA-N 1 0 382.302 2.403 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000579216510 652325432 /nfs/dbraw/zinc/32/54/32/652325432.db2.gz ZTFQOEFWGKSDQG-ZBFHGGJFSA-N 1 0 395.345 2.275 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000658893724 652327075 /nfs/dbraw/zinc/32/70/75/652327075.db2.gz WMOGXUVEYSXHGM-MRXNPFEDSA-N 1 0 394.313 2.277 20 0 GEADRO CC[C@H](CO)[NH+]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625192518 652330471 /nfs/dbraw/zinc/33/04/71/652330471.db2.gz JDDBHHMLWIRUQR-WBVHZDCISA-N 1 0 396.329 2.091 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CS1(=O)=O ZINC000659022262 652337368 /nfs/dbraw/zinc/33/73/68/652337368.db2.gz QEXWQSMTIYVKGI-JOYOIKCWSA-N 1 0 379.404 2.251 20 0 GEADRO CC1CC[NH+](CCCCNS(=O)(=O)c2cn(C)nc2C(F)(F)F)CC1 ZINC000579449143 652338627 /nfs/dbraw/zinc/33/86/27/652338627.db2.gz VBVRNBOFKWRSLL-UHFFFAOYSA-N 1 0 382.452 2.229 20 0 GEADRO COCCN1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000579463340 652339149 /nfs/dbraw/zinc/33/91/49/652339149.db2.gz OVJHNFUVUHBZOU-CABCVRRESA-N 1 0 377.312 2.434 20 0 GEADRO C[C@H](Cc1ccccc1Br)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000579456662 652339185 /nfs/dbraw/zinc/33/91/85/652339185.db2.gz CUKHWYWYPHNGMX-FFLHNBHYSA-N 1 0 380.286 2.491 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)CCCCC1 ZINC000659073214 652339957 /nfs/dbraw/zinc/33/99/57/652339957.db2.gz CITUJHCDRHHKRM-UHFFFAOYSA-N 1 0 390.228 2.444 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659075353 652340120 /nfs/dbraw/zinc/34/01/20/652340120.db2.gz PBRGLRKONXVXHB-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N2CCC([NH3+])CC2)c2cc(Br)ccc21 ZINC000659074467 652340138 /nfs/dbraw/zinc/34/01/38/652340138.db2.gz ISKZGNWMXLSWMO-UHFFFAOYSA-N 1 0 380.286 2.023 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1F)[C@@H]1CCC[NH2+]C1 ZINC000659074551 652340202 /nfs/dbraw/zinc/34/02/02/652340202.db2.gz MEAGDLOFVXZLES-RKDXNWHRSA-N 1 0 390.228 2.170 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000659081648 652341040 /nfs/dbraw/zinc/34/10/40/652341040.db2.gz HLHPLBSQOUHTSJ-UHFFFAOYSA-N 1 0 386.677 2.385 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659084157 652341497 /nfs/dbraw/zinc/34/14/97/652341497.db2.gz AKMXTSDYFKMEND-QMMMGPOBSA-N 1 0 378.217 2.300 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2SC)CC1 ZINC000659088149 652342450 /nfs/dbraw/zinc/34/24/50/652342450.db2.gz FJKBAGMQNKKSHV-UHFFFAOYSA-N 1 0 385.917 2.227 20 0 GEADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625327470 652342747 /nfs/dbraw/zinc/34/27/47/652342747.db2.gz XHSUEDWFUHBKCX-BPLDGKMQSA-N 1 0 380.286 2.336 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000659090102 652343094 /nfs/dbraw/zinc/34/30/94/652343094.db2.gz NRDIVCNUSPUMPR-UHFFFAOYSA-N 1 0 380.645 2.376 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000659100982 652343388 /nfs/dbraw/zinc/34/33/88/652343388.db2.gz HNSBBVLRGAJYJZ-UHFFFAOYSA-N 1 0 377.750 2.127 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCCC1 ZINC000659098262 652343549 /nfs/dbraw/zinc/34/35/49/652343549.db2.gz JCNXXDVACQSLOJ-UHFFFAOYSA-N 1 0 376.201 2.054 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000659106623 652343872 /nfs/dbraw/zinc/34/38/72/652343872.db2.gz URZVCFZRVCUYKN-CQSZACIVSA-N 1 0 382.302 2.366 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCN1CCOCC1 ZINC000751382818 652344149 /nfs/dbraw/zinc/34/41/49/652344149.db2.gz ANINXKCLSQFFGE-UHFFFAOYSA-N 1 0 398.345 2.062 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000659111489 652344307 /nfs/dbraw/zinc/34/43/07/652344307.db2.gz BCKYUYYLLGVAAY-SSDOTTSWSA-N 1 0 382.180 2.131 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1Br ZINC000659109836 652344323 /nfs/dbraw/zinc/34/43/23/652344323.db2.gz ORHBPWGKRAJLKG-NXEZZACHSA-N 1 0 392.656 2.247 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625338061 652344871 /nfs/dbraw/zinc/34/48/71/652344871.db2.gz XCPVNKUIIDNGHY-ZYRRHWMLSA-N 1 0 392.341 2.087 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000659114377 652345033 /nfs/dbraw/zinc/34/50/33/652345033.db2.gz WEOGEDZCGBOVCW-SSDOTTSWSA-N 1 0 382.180 2.131 20 0 GEADRO COc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000625339922 652345340 /nfs/dbraw/zinc/34/53/40/652345340.db2.gz YDHVSLATOXMAIA-HUUCEWRRSA-N 1 0 383.286 2.129 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000625471892 652348221 /nfs/dbraw/zinc/34/82/21/652348221.db2.gz RAPITPBOBOZBSU-UHOFOFEASA-N 1 0 383.286 2.080 20 0 GEADRO CN(C(=O)c1cc(O)cc(Br)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000625502221 652350238 /nfs/dbraw/zinc/35/02/38/652350238.db2.gz RARRFWOHQUYRCX-MRXNPFEDSA-N 1 0 396.329 2.395 20 0 GEADRO [NH3+]C1(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC2(CCC2)C1 ZINC000659254037 652350672 /nfs/dbraw/zinc/35/06/72/652350672.db2.gz DZOBVHAUOBBHKL-UHFFFAOYSA-N 1 0 381.270 2.498 20 0 GEADRO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000659259514 652351108 /nfs/dbraw/zinc/35/11/08/652351108.db2.gz QLOWAICMLYGYHG-KRWDZBQOSA-N 1 0 378.881 2.465 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000659259527 652351191 /nfs/dbraw/zinc/35/11/91/652351191.db2.gz QRNAAAOSENEFQE-AWEZNQCLSA-N 1 0 381.274 2.385 20 0 GEADRO [NH3+]CCn1cc(C(=O)NCCCCSc2ccccc2Br)nn1 ZINC000659254886 652351216 /nfs/dbraw/zinc/35/12/16/652351216.db2.gz HCPUEMBYNAHEHE-UHFFFAOYSA-N 1 0 398.330 2.302 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000659262958 652351777 /nfs/dbraw/zinc/35/17/77/652351777.db2.gz OYKYMKQFYMVJOX-HNNXBMFYSA-N 1 0 388.295 2.030 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000579743289 652352279 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C[C@@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H](C[NH3+])C1 ZINC000659378784 652355319 /nfs/dbraw/zinc/35/53/19/652355319.db2.gz CVMJTZCJHQALAY-YPMHNXCESA-N 1 0 383.286 2.349 20 0 GEADRO Cc1cc(Br)c(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)s1 ZINC000659360810 652355393 /nfs/dbraw/zinc/35/53/93/652355393.db2.gz HTPZSBZVMCSJQK-JTQLQIEISA-N 1 0 384.303 2.093 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000659366479 652355458 /nfs/dbraw/zinc/35/54/58/652355458.db2.gz FYSPWAPPDIBAPG-HZPDHXFCSA-N 1 0 383.286 2.118 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC[C@H]1F ZINC000659390905 652356290 /nfs/dbraw/zinc/35/62/90/652356290.db2.gz MGJPVRLKDQLAFQ-HUUCEWRRSA-N 1 0 388.892 2.324 20 0 GEADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000579822729 652356293 /nfs/dbraw/zinc/35/62/93/652356293.db2.gz NKBXMYCVPZQKBF-WFASDCNBSA-N 1 0 382.291 2.089 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC1([NH3+])CCCC1 ZINC000659427653 652357759 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[NH3+][C@@H]1CN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC[C@H]1F ZINC000659491877 652359502 /nfs/dbraw/zinc/35/95/02/652359502.db2.gz OCBVJVBCTKESMO-JLLWLGSASA-N 1 0 376.201 2.102 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659493542 652359580 /nfs/dbraw/zinc/35/95/80/652359580.db2.gz VFZHWCQPXFLEGM-OAHLLOKOSA-N 1 0 398.349 2.457 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659506070 652359910 /nfs/dbraw/zinc/35/99/10/652359910.db2.gz JXDCNPGYUXAUHH-UHFFFAOYSA-N 1 0 381.318 2.423 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000659538680 652360204 /nfs/dbraw/zinc/36/02/04/652360204.db2.gz AXGYNRHDOAKYFZ-UKRRQHHQSA-N 1 0 381.318 2.421 20 0 GEADRO O=C(CC[C@@H]1CC[NH2+]C1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000579946779 652360466 /nfs/dbraw/zinc/36/04/66/652360466.db2.gz YYOXEXKQRJDVDL-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659550628 652360504 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GEADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000659637309 652362013 /nfs/dbraw/zinc/36/20/13/652362013.db2.gz OWLWHKILKNFYMR-GFCCVEGCSA-N 1 0 387.297 2.023 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000659641744 652362308 /nfs/dbraw/zinc/36/23/08/652362308.db2.gz RXEKLAXOFSGYHC-JTQLQIEISA-N 1 0 379.814 2.193 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000659645102 652362407 /nfs/dbraw/zinc/36/24/07/652362407.db2.gz IWOJFYBRGYJKAL-GFCCVEGCSA-N 1 0 397.317 2.417 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000659710667 652363699 /nfs/dbraw/zinc/36/36/99/652363699.db2.gz RYCIQILHPFJXFN-UHFFFAOYSA-N 1 0 384.318 2.039 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000659716011 652364156 /nfs/dbraw/zinc/36/41/56/652364156.db2.gz SPRSOBCFVSOOFO-BDJLRTHQSA-N 1 0 377.897 2.339 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)C2 ZINC000659719787 652364184 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CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C[C@H]1CSCCS1 ZINC000751718259 652364981 /nfs/dbraw/zinc/36/49/81/652364981.db2.gz HYHPVTJLVXHGAZ-HOTGVXAUSA-N 1 0 388.599 2.491 20 0 GEADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000580093970 652366668 /nfs/dbraw/zinc/36/66/68/652366668.db2.gz KENGBTLOTLWUCK-SNVBAGLBSA-N 1 0 390.709 2.207 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000580167998 652368235 /nfs/dbraw/zinc/36/82/35/652368235.db2.gz WKRLPKUZQDAWNB-UHFFFAOYSA-N 1 0 380.290 2.342 20 0 GEADRO O=C1CNC(=O)N1CC[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625704306 652368480 /nfs/dbraw/zinc/36/84/80/652368480.db2.gz KQPWJFCHGFRFGP-ZDUSSCGKSA-N 1 0 384.299 2.167 20 0 GEADRO CO[C@H](C[N@H+](CCO)Cc1cc(Br)ccc1F)[C@H]1CCOC1 ZINC000659878401 652368759 /nfs/dbraw/zinc/36/87/59/652368759.db2.gz ZUDRPNUKJTUIFO-BLLLJJGKSA-N 1 0 376.266 2.434 20 0 GEADRO CC(C)O[C@]1(CS(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC000659890678 652369541 /nfs/dbraw/zinc/36/95/41/652369541.db2.gz YCJICTBYSUEQIY-QZTJIDSGSA-N 1 0 376.563 2.000 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000580201220 652370617 /nfs/dbraw/zinc/37/06/17/652370617.db2.gz CABSADOVWHTXLB-CJNGLKHVSA-N 1 0 396.329 2.290 20 0 GEADRO CN(CC1CC1)C(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795249 652371172 /nfs/dbraw/zinc/37/11/72/652371172.db2.gz SSWYJJPVPVYMHG-SFHVURJKSA-N 1 0 381.314 2.127 20 0 GEADRO O=C(C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)NC1CCCC1 ZINC000625795682 652371618 /nfs/dbraw/zinc/37/16/18/652371618.db2.gz ZVSXRZMWBLDAFR-SFHVURJKSA-N 1 0 381.314 2.317 20 0 GEADRO CO[C@H](C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)[C@H]1CCOC1 ZINC000625796700 652371642 /nfs/dbraw/zinc/37/16/42/652371642.db2.gz LEPNVMVHKSCZLL-CGTJXYLNSA-N 1 0 384.314 2.310 20 0 GEADRO OC[C@]1([NH2+]CCOC[C@@H]2CCCO2)CCc2cc(Br)ccc2C1 ZINC000625795636 652371658 /nfs/dbraw/zinc/37/16/58/652371658.db2.gz YEZFSGSLCABTQD-ROUUACIJSA-N 1 0 384.314 2.454 20 0 GEADRO O=C1CC[C@@H](C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)CCN1 ZINC000625797819 652371914 /nfs/dbraw/zinc/37/19/14/652371914.db2.gz ZYPIZQYFTJMJKR-FZKQIMNGSA-N 1 0 381.314 2.175 20 0 GEADRO C[C@@H]1C[NH+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C[C@H]1C ZINC000751927508 652371912 /nfs/dbraw/zinc/37/19/12/652371912.db2.gz ZNMICXSYTSLPEY-GHMZBOCLSA-N 1 0 380.242 2.290 20 0 GEADRO Cc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1Br ZINC000580240649 652372170 /nfs/dbraw/zinc/37/21/70/652372170.db2.gz RIRDQUJIMUJYMR-CQSZACIVSA-N 1 0 390.347 2.118 20 0 GEADRO C[C@H](NC(=O)c1cc(Cl)cc(F)c1Br)C(=O)NCC[NH+](C)C ZINC000580245430 652372551 /nfs/dbraw/zinc/37/25/51/652372551.db2.gz NJOPUNBMOGTRKI-QMMMGPOBSA-N 1 0 394.672 2.038 20 0 GEADRO COc1cc(Br)c(NC(=O)NCC2([NH3+])CCOCC2)cc1OC ZINC000625852130 652373388 /nfs/dbraw/zinc/37/33/88/652373388.db2.gz QEYIKUHBALRFKG-UHFFFAOYSA-N 1 0 388.262 2.096 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C[NH2+]1 ZINC000625877364 652374396 /nfs/dbraw/zinc/37/43/96/652374396.db2.gz DZMGXXSVRCCCTF-ZYHUDNBSSA-N 1 0 379.262 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O=S1(=O)CCC(O)(C[NH2+]CCCc2ccc(Br)cc2F)CC1 ZINC000581809815 652425911 /nfs/dbraw/zinc/42/59/11/652425911.db2.gz SKAOHEKJKSUBBX-UHFFFAOYSA-N 1 0 394.306 2.050 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000627406495 652426693 /nfs/dbraw/zinc/42/66/93/652426693.db2.gz IVTVQUWUQWGIMT-UKRRQHHQSA-N 1 0 396.329 2.269 20 0 GEADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627407087 652426754 /nfs/dbraw/zinc/42/67/54/652426754.db2.gz DNBNHVLSTIUFAP-DUVNUKRYSA-N 1 0 394.313 2.022 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627406493 652426775 /nfs/dbraw/zinc/42/67/75/652426775.db2.gz IVTVQUWUQWGIMT-DZGCQCFKSA-N 1 0 396.329 2.269 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627411170 652427010 /nfs/dbraw/zinc/42/70/10/652427010.db2.gz YPAYFJFBEIITIM-DUVNUKRYSA-N 1 0 396.329 2.253 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)Oc1ccc(Cl)c(Cl)c1 ZINC000627503064 652430975 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CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661605044 652434969 /nfs/dbraw/zinc/43/49/69/652434969.db2.gz PMPCXFLZKUHQCW-GOEBONIOSA-N 1 0 394.313 2.008 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000582112106 652436017 /nfs/dbraw/zinc/43/60/17/652436017.db2.gz PNDISDUAZANZGT-MNOVXSKESA-N 1 0 378.274 2.076 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000582122826 652436373 /nfs/dbraw/zinc/43/63/73/652436373.db2.gz FDUDHXJYSFRSNK-MKBNYLNASA-N 1 0 384.293 2.436 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@H]21 ZINC000627650748 652437295 /nfs/dbraw/zinc/43/72/95/652437295.db2.gz SIEGMKSASDSBOG-ZSHCYNCHSA-N 1 0 375.270 2.267 20 0 GEADRO O=C(NCCO[C@H]1CC1(F)F)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000661677507 652437609 /nfs/dbraw/zinc/43/76/09/652437609.db2.gz OHDCAPYQYMAHBS-AWEZNQCLSA-N 1 0 377.501 2.462 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)s1 ZINC000661774668 652439994 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CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662042000 652446285 /nfs/dbraw/zinc/44/62/85/652446285.db2.gz MATIUXJLUZUFHM-HUUCEWRRSA-N 1 0 397.313 2.255 20 0 GEADRO CC[C@@H]1C[N@H+](CC)CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000582342155 652446443 /nfs/dbraw/zinc/44/64/43/652446443.db2.gz CHMVZBQLEHLWNI-OAHLLOKOSA-N 1 0 379.302 2.373 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000582349402 652446827 /nfs/dbraw/zinc/44/68/27/652446827.db2.gz NIELWRJMWQIIIZ-WDEREUQCSA-N 1 0 384.274 2.333 20 0 GEADRO Cc1ccc(NC(=O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1 ZINC000662158393 652449458 /nfs/dbraw/zinc/44/94/58/652449458.db2.gz TWNJWSQESQQTSN-HNNXBMFYSA-N 1 0 396.329 2.227 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662155106 652449478 /nfs/dbraw/zinc/44/94/78/652449478.db2.gz HPACPNLNSCPNSH-GUYCJALGSA-N 1 0 396.329 2.307 20 0 GEADRO C[C@@H]1C[NH+](CCCCNc2ccc(I)cn2)C[C@@H](C)O1 ZINC000582456863 652450964 /nfs/dbraw/zinc/45/09/64/652450964.db2.gz NEZCMBPEZIMHDJ-CHWSQXEVSA-N 1 0 389.281 2.988 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN2CCOc3cc(Br)ccc3C2)CC1 ZINC000662200489 652451708 /nfs/dbraw/zinc/45/17/08/652451708.db2.gz BOROBFPMLSUADS-UHFFFAOYSA-N 1 0 396.329 2.244 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)OCCO ZINC000582487109 652452358 /nfs/dbraw/zinc/45/23/58/652452358.db2.gz WXHYUMPLGGKTGO-LBPRGKRZSA-N 1 0 396.709 2.219 20 0 GEADRO O=C(COc1cccc(Br)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628129176 652452533 /nfs/dbraw/zinc/45/25/33/652452533.db2.gz PDTQCSNTUZLEJI-UHFFFAOYSA-N 1 0 383.286 2.151 20 0 GEADRO COc1cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000628146680 652453212 /nfs/dbraw/zinc/45/32/12/652453212.db2.gz WTZDUGJEHMKELT-AWEZNQCLSA-N 1 0 383.286 2.129 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000662321278 652455644 /nfs/dbraw/zinc/45/56/44/652455644.db2.gz QLJDFXDLGDOKHY-INIZCTEOSA-N 1 0 384.318 2.430 20 0 GEADRO C[NH+](C)CCC[C@H]1CN([C@H](C(N)=O)c2ccc(Br)cc2)CCO1 ZINC000662325130 652455648 /nfs/dbraw/zinc/45/56/48/652455648.db2.gz IKEJQQMHAUNAFL-HOTGVXAUSA-N 1 0 384.318 2.018 20 0 GEADRO C[NH+](C)CCC[C@H]1CN([C@H](C(N)=O)c2cccc(Br)c2)CCO1 ZINC000662325358 652456061 /nfs/dbraw/zinc/45/60/61/652456061.db2.gz MERNAHPBIDWUFU-HOTGVXAUSA-N 1 0 384.318 2.018 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662344943 652456389 /nfs/dbraw/zinc/45/63/89/652456389.db2.gz TXQCNUOMZOIUHZ-UHFFFAOYSA-N 1 0 378.274 2.237 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582594372 652456419 /nfs/dbraw/zinc/45/64/19/652456419.db2.gz OFENZEXIOGZHDZ-QGZVFWFLSA-N 1 0 398.276 2.437 20 0 GEADRO O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662348569 652456812 /nfs/dbraw/zinc/45/68/12/652456812.db2.gz FMQMAJXTMCFMJS-CQSZACIVSA-N 1 0 377.535 2.259 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(Br)c(F)c1F ZINC000628322296 652457278 /nfs/dbraw/zinc/45/72/78/652457278.db2.gz NDZPGAWKEYGJIM-SNVBAGLBSA-N 1 0 376.245 2.279 20 0 GEADRO Cc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1S(=O)(=O)N(C)C ZINC000662364011 652457595 /nfs/dbraw/zinc/45/75/95/652457595.db2.gz BOSXXUPOYLISJT-UHFFFAOYSA-N 1 0 379.507 2.205 20 0 GEADRO COC[C@]1(CNC(=O)N2CCc3cc(Br)ccc3C2)CCC[NH2+]1 ZINC000582656024 652457752 /nfs/dbraw/zinc/45/77/52/652457752.db2.gz ITXRNJMNHBUOGI-QGZVFWFLSA-N 1 0 382.302 2.285 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000582656365 652457767 /nfs/dbraw/zinc/45/77/67/652457767.db2.gz CSNQMDMVFFWMBS-ZDUSSCGKSA-N 1 0 396.329 2.227 20 0 GEADRO CC[NH2+]CCCNC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000582665846 652458184 /nfs/dbraw/zinc/45/81/84/652458184.db2.gz DEOXNAOPQQOALO-UHFFFAOYSA-N 1 0 387.552 2.018 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662386636 652458236 /nfs/dbraw/zinc/45/82/36/652458236.db2.gz LQDDEEVUTGVBFF-UHFFFAOYSA-N 1 0 384.303 2.299 20 0 GEADRO CN[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000662383633 652458370 /nfs/dbraw/zinc/45/83/70/652458370.db2.gz NHXXTMIJAMCNOR-QGZVFWFLSA-N 1 0 387.355 2.398 20 0 GEADRO C[C@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccccc1NS(C)(=O)=O ZINC000662389413 652458727 /nfs/dbraw/zinc/45/87/27/652458727.db2.gz CDVFJMPXJVFZAI-NSHDSACASA-N 1 0 379.507 2.256 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000628495694 652459752 /nfs/dbraw/zinc/45/97/52/652459752.db2.gz XSGYZVRRUPOCQK-ZDUSSCGKSA-N 1 0 378.441 2.058 20 0 GEADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000582757438 652461663 /nfs/dbraw/zinc/46/16/63/652461663.db2.gz FGFJPFZRZRWMCM-JTQLQIEISA-N 1 0 384.274 2.239 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662454667 652461817 /nfs/dbraw/zinc/46/18/17/652461817.db2.gz OWNUHGGLDJNJQM-UHFFFAOYSA-N 1 0 378.274 2.204 20 0 GEADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000582765934 652462028 /nfs/dbraw/zinc/46/20/28/652462028.db2.gz AJOBQQQNBPUPEU-CABCVRRESA-N 1 0 379.503 2.010 20 0 GEADRO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662461147 652462105 /nfs/dbraw/zinc/46/21/05/652462105.db2.gz QBFZYLBNDZKVAK-OAHLLOKOSA-N 1 0 378.778 2.312 20 0 GEADRO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000662503908 652464840 /nfs/dbraw/zinc/46/48/40/652464840.db2.gz YRBWUIVYIDPIJV-UONOGXRCSA-N 1 0 387.318 2.316 20 0 GEADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000582891475 652465620 /nfs/dbraw/zinc/46/56/20/652465620.db2.gz JMADXLSTTDEFJH-UHFFFAOYSA-N 1 0 383.539 2.024 20 0 GEADRO O=C(Cc1ccc(Br)c(Br)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662563092 652468097 /nfs/dbraw/zinc/46/80/97/652468097.db2.gz ZRCABZITTNJGLQ-PHIMTYICSA-N 1 0 388.103 2.432 20 0 GEADRO Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000662573095 652468517 /nfs/dbraw/zinc/46/85/17/652468517.db2.gz CTXWAKUFATUUJL-LBPRGKRZSA-N 1 0 396.264 2.424 20 0 GEADRO N[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1Br ZINC000662583502 652468927 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CC(=O)N[C@H](CC(=O)NCC1([NH3+])CCCC1)c1ccc(Br)cc1 ZINC000662864750 652476995 /nfs/dbraw/zinc/47/69/95/652476995.db2.gz FUHWLJQYBNWOKY-OAHLLOKOSA-N 1 0 382.302 2.404 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000662925058 652478703 /nfs/dbraw/zinc/47/87/03/652478703.db2.gz JRGJXBCJEDXKOD-CQSZACIVSA-N 1 0 382.302 2.308 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000662927841 652479004 /nfs/dbraw/zinc/47/90/04/652479004.db2.gz GVPUNLLHPLGHKF-CQSZACIVSA-N 1 0 388.295 2.089 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)N(C)CCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000662942355 652479435 /nfs/dbraw/zinc/47/94/35/652479435.db2.gz VYXAUAHYMJRJLO-GFCCVEGCSA-N 1 0 390.311 2.416 20 0 GEADRO CN(CC[NH3+])C(=O)C(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000662980180 652480190 /nfs/dbraw/zinc/48/01/90/652480190.db2.gz OICHHDKPYNDLRR-INIZCTEOSA-N 1 0 377.897 2.293 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(I)c2)C1 ZINC000583405839 652483529 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C[C@H](C(=O)N1CCc2sccc2C1)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561816 652493241 /nfs/dbraw/zinc/49/32/41/652493241.db2.gz KMSVFZOGAQKLAQ-MRVWCRGKSA-N 1 0 375.460 2.480 20 0 GEADRO Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1Br ZINC000663311766 652493384 /nfs/dbraw/zinc/49/33/84/652493384.db2.gz QHPDBLXDINDTMQ-SNVBAGLBSA-N 1 0 375.210 2.268 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000663311635 652493498 /nfs/dbraw/zinc/49/34/98/652493498.db2.gz ORAIPQGRPQMZNO-VIFPVBQESA-N 1 0 382.738 2.452 20 0 GEADRO CC(C)CN(CC(F)(F)F)C(=O)CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563058 652493567 /nfs/dbraw/zinc/49/35/67/652493567.db2.gz PRRCZFBTWHKPPF-NEPJUHHUSA-N 1 0 377.373 2.492 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563045 652493619 /nfs/dbraw/zinc/49/36/19/652493619.db2.gz POHBWBHSGWSLKM-WXHSDQCUSA-N 1 0 394.235 2.435 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566562 652493869 /nfs/dbraw/zinc/49/38/69/652493869.db2.gz ZQHLNNVFHCLYLB-WXHSDQCUSA-N 1 0 394.235 2.435 20 0 GEADRO COCC1(CNC(=O)[C@H]2COc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000583688069 652494476 /nfs/dbraw/zinc/49/44/76/652494476.db2.gz GRUUYTODSHGBOQ-AWEZNQCLSA-N 1 0 383.286 2.058 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000629821744 652495447 /nfs/dbraw/zinc/49/54/47/652495447.db2.gz KHMXLKWSAADHEB-TZMCWYRMSA-N 1 0 396.329 2.349 20 0 GEADRO O[C@H](C[NH2+]CC1CCC(O)CC1)COc1cc(F)cc(Br)c1 ZINC000663366795 652495516 /nfs/dbraw/zinc/49/55/16/652495516.db2.gz PPURCQMGRPCZJR-WDIPEOLASA-N 1 0 376.266 2.469 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)CN1CCOCC1 ZINC000663369835 652495750 /nfs/dbraw/zinc/49/57/50/652495750.db2.gz JAXHFBLPYOPOBB-WMZOPIPTSA-N 1 0 383.330 2.499 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(c2ncc(Br)c3ccsc32)CC1 ZINC000663384582 652496209 /nfs/dbraw/zinc/49/62/09/652496209.db2.gz LDLNUFMBDPBPDN-UHFFFAOYSA-N 1 0 383.315 2.269 20 0 GEADRO Cc1cc(I)cn(Cc2ccc3c(c2)C[NH2+]CC3)c1=O ZINC000583815322 652498422 /nfs/dbraw/zinc/49/84/22/652498422.db2.gz GYSOFYUAFKUJQR-UHFFFAOYSA-N 1 0 380.229 2.455 20 0 GEADRO CO[C@@H]1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)[C@@H](C[NH3+])C1 ZINC000583866603 652500571 /nfs/dbraw/zinc/50/05/71/652500571.db2.gz ZDKLNBZADZQSAU-LALPHHSUSA-N 1 0 387.933 2.121 20 0 GEADRO C[C@@]1(C(=O)NCCOc2ccc(I)cc2)CCC[NH2+]C1 ZINC000583872739 652500885 /nfs/dbraw/zinc/50/08/85/652500885.db2.gz AMDZDGYCHHYJIW-OAHLLOKOSA-N 1 0 388.249 2.176 20 0 GEADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC2(C[NH3+])CCCC2)c1 ZINC000583877503 652501168 /nfs/dbraw/zinc/50/11/68/652501168.db2.gz MWSGAJAZGAVMSG-UHFFFAOYSA-N 1 0 380.388 2.042 20 0 GEADRO [NH3+]CCC1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1 ZINC000583939158 652503430 /nfs/dbraw/zinc/50/34/30/652503430.db2.gz ARACWAUTJNTNQM-UHFFFAOYSA-N 1 0 389.315 2.134 20 0 GEADRO Cc1nc(C)c(Br)c(NC2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000663582031 652504663 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O=C1[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C[C@H]2CCCCN12 ZINC000584274235 652514717 /nfs/dbraw/zinc/51/47/17/652514717.db2.gz GPQNTYRIVQCYSW-OCCSQVGLSA-N 1 0 381.270 2.463 20 0 GEADRO COc1ccc(Br)c(CNC(=O)c2cnn(CC[NH+](C)C)c2)c1 ZINC000630772833 652515330 /nfs/dbraw/zinc/51/53/30/652515330.db2.gz SHSQGGRBELFHJP-UHFFFAOYSA-N 1 0 381.274 2.146 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000584340917 652517384 /nfs/dbraw/zinc/51/73/84/652517384.db2.gz XVYSKNPUZSPPTJ-ZIAGYGMSSA-N 1 0 387.311 2.250 20 0 GEADRO NS(=O)(=O)c1c(NC[C@@H]2CC[N@@H+](C3CC3)C2)cccc1OC(F)(F)F ZINC000631059443 652519430 /nfs/dbraw/zinc/51/94/30/652519430.db2.gz TUFKGAPMCHYNEO-JTQLQIEISA-N 1 0 379.404 2.129 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)C(F)(F)F ZINC000584410675 652520127 /nfs/dbraw/zinc/52/01/27/652520127.db2.gz LJWDYUNCTNZERJ-SNVBAGLBSA-N 1 0 392.428 2.395 20 0 GEADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000584437224 652521114 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C[C@@]1(CNC(=O)COc2cccc(I)c2)CCC[NH2+]C1 ZINC000584833654 652530924 /nfs/dbraw/zinc/53/09/24/652530924.db2.gz JABLKIHXNYSRFO-OAHLLOKOSA-N 1 0 388.249 2.176 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000631676629 652531343 /nfs/dbraw/zinc/53/13/43/652531343.db2.gz BNTQZXLVQYBYTI-ZDUSSCGKSA-N 1 0 383.539 2.143 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CCN(c3ncc4scc(Br)c4n3)CC2)C1 ZINC000664598375 652531412 /nfs/dbraw/zinc/53/14/12/652531412.db2.gz UAHNYOUPFAGWFH-LLVKDONJSA-N 1 0 383.315 2.489 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(c3ccnc4cc(Br)cnc43)CC2)C1 ZINC000664599578 652531522 /nfs/dbraw/zinc/53/15/22/652531522.db2.gz OFRFPUHQOLSHDB-AWEZNQCLSA-N 1 0 377.286 2.428 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000584849019 652531874 /nfs/dbraw/zinc/53/18/74/652531874.db2.gz FMGBAWASAPFQAH-OAHLLOKOSA-N 1 0 387.571 2.049 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000631713300 652532673 /nfs/dbraw/zinc/53/26/73/652532673.db2.gz 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ZINC000631932153 652541505 /nfs/dbraw/zinc/54/15/05/652541505.db2.gz MOLCPTYBZBCTTA-BXKDBHETSA-N 1 0 382.349 2.233 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2cnc3c(Br)csc3c2)CC[NH2+]1 ZINC000631932371 652541521 /nfs/dbraw/zinc/54/15/21/652541521.db2.gz NXTCXMTYUSJZRI-DTWKUNHWSA-N 1 0 390.328 2.478 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631934557 652541735 /nfs/dbraw/zinc/54/17/35/652541735.db2.gz DWYCUACSKSFZRD-KCJUWKMLSA-N 1 0 390.328 2.335 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000631932524 652541766 /nfs/dbraw/zinc/54/17/66/652541766.db2.gz WCOOMMPMRJXUTD-IUCAKERBSA-N 1 0 390.328 2.417 20 0 GEADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631939564 652542740 /nfs/dbraw/zinc/54/27/40/652542740.db2.gz COJUBQBUUYIYNS-MRVPVSSYSA-N 1 0 378.317 2.465 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000631941640 652542773 /nfs/dbraw/zinc/54/27/73/652542773.db2.gz CITFOHMCMQEDDJ-DTWKUNHWSA-N 1 0 390.328 2.465 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1ccc(Br)cc1Br ZINC000631973189 652543342 /nfs/dbraw/zinc/54/33/42/652543342.db2.gz GLWBGCYAVQMHGB-VXNVDRBHSA-N 1 0 398.120 2.322 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CC2(OC)CCCC2)[C@@H](C)C1 ZINC000631977766 652543754 /nfs/dbraw/zinc/54/37/54/652543754.db2.gz VKFQKXBVSAMCDS-IRXDYDNUSA-N 1 0 376.563 2.002 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1Cl ZINC000631978810 652543917 /nfs/dbraw/zinc/54/39/17/652543917.db2.gz JBAIBWLUBVOZAI-LLVKDONJSA-N 1 0 391.896 2.494 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(OC)CCCC2)[C@H](C)C1 ZINC000631977764 652543943 /nfs/dbraw/zinc/54/39/43/652543943.db2.gz VKFQKXBVSAMCDS-IAGOWNOFSA-N 1 0 376.563 2.002 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000631978935 652544231 /nfs/dbraw/zinc/54/42/31/652544231.db2.gz LCBDLOBHEQXOEG-LBPRGKRZSA-N 1 0 385.917 2.281 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ncsc2Br)C1 ZINC000632047076 652546648 /nfs/dbraw/zinc/54/66/48/652546648.db2.gz BRLKJFOCELRCIX-LLVKDONJSA-N 1 0 396.376 2.399 20 0 GEADRO CC[N@H+](CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)C(C)C ZINC000588225266 652550851 /nfs/dbraw/zinc/55/08/51/652550851.db2.gz PINYHTVOADTMOM-LLVKDONJSA-N 1 0 390.347 2.475 20 0 GEADRO Cn1c(SCC(=O)N2CCC(C[NH+](C)C)CC2)nnc1-c1cccs1 ZINC000588705574 652555501 /nfs/dbraw/zinc/55/55/01/652555501.db2.gz LFKVJDRFUASZNI-UHFFFAOYSA-N 1 0 379.555 2.436 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c(F)c1Cl ZINC000632368303 652559622 /nfs/dbraw/zinc/55/96/22/652559622.db2.gz FNJXDBHFDABESM-UFBFGSQYSA-N 1 0 395.859 2.290 20 0 GEADRO COc1ccc(CCNS(=O)(=O)CCC[NH+]2CCCC2)c(Cl)c1OC ZINC000632369161 652559813 /nfs/dbraw/zinc/55/98/13/652559813.db2.gz NCDXIPKMFFFWOQ-UHFFFAOYSA-N 1 0 390.933 2.305 20 0 GEADRO CC(C)[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C(=O)N1CCCC1 ZINC000666100275 652566742 /nfs/dbraw/zinc/56/67/42/652566742.db2.gz BMLYBUULUPYXEI-BBRMVZONSA-N 1 0 384.318 2.236 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000666139514 652567403 /nfs/dbraw/zinc/56/74/03/652567403.db2.gz FLRIZGGXEWUXQU-SUZMYJTESA-N 1 0 383.208 2.435 20 0 GEADRO CSC1(CNC(=O)NCC(=O)Nc2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000589628987 652570088 /nfs/dbraw/zinc/57/00/88/652570088.db2.gz JYIIKJWNLMIMQY-UHFFFAOYSA-N 1 0 384.933 2.405 20 0 GEADRO CN(C)c1ccccc1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000666281775 652570372 /nfs/dbraw/zinc/57/03/72/652570372.db2.gz BSOYSQPJZZNFDM-UHFFFAOYSA-N 1 0 398.326 2.452 20 0 GEADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 ZINC000632640306 652571099 /nfs/dbraw/zinc/57/10/99/652571099.db2.gz MKNNEUCKABQHKE-UHFFFAOYSA-N 1 0 380.436 2.458 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000632639534 652571121 /nfs/dbraw/zinc/57/11/21/652571121.db2.gz DVYALORGKKURPE-UHFFFAOYSA-N 1 0 385.555 2.023 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000590046511 652573373 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2.416 20 0 GEADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2sccc2S(N)(=O)=O)c1 ZINC000666672078 652583088 /nfs/dbraw/zinc/58/30/88/652583088.db2.gz RULWORLYZJDFJY-UHFFFAOYSA-N 1 0 381.523 2.167 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000633044922 652583371 /nfs/dbraw/zinc/58/33/71/652583371.db2.gz GYBSIQVUGBBJRF-NSHDSACASA-N 1 0 386.265 2.421 20 0 GEADRO O=C(NCCO)C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000759695429 652583522 /nfs/dbraw/zinc/58/35/22/652583522.db2.gz ZUZZDHBYYUIVFN-UHFFFAOYSA-N 1 0 392.297 2.318 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000633046049 652583690 /nfs/dbraw/zinc/58/36/90/652583690.db2.gz NSGQDHGWGFXXLB-VIFPVBQESA-N 1 0 378.420 2.081 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c(Br)c1 ZINC000633046998 652583716 /nfs/dbraw/zinc/58/37/16/652583716.db2.gz XAIWNTFAGLVZFX-NSHDSACASA-N 1 0 398.301 2.291 20 0 GEADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000633069957 652584922 /nfs/dbraw/zinc/58/49/22/652584922.db2.gz SKBXAHAELJCKNX-SFNKJDCFSA-N 1 0 393.325 2.394 20 0 GEADRO C[NH+](C)C1(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000666738779 652586139 /nfs/dbraw/zinc/58/61/39/652586139.db2.gz JQSBMNDPOSAWJZ-GFCCVEGCSA-N 1 0 395.301 2.115 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000633143598 652587835 /nfs/dbraw/zinc/58/78/35/652587835.db2.gz IXSCRWZINACJRO-HOCLYGCPSA-N 1 0 392.301 2.427 20 0 GEADRO CC(C)(C)OC(=O)CC[N@H+](CC[C@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC000592130537 652588566 /nfs/dbraw/zinc/58/85/66/652588566.db2.gz NFDVYOVVQIHHJU-HNNXBMFYSA-N 1 0 375.531 2.024 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CCO1 ZINC000667003772 652589048 /nfs/dbraw/zinc/58/90/48/652589048.db2.gz RLGXHGGLSIYDGV-LRDDRELGSA-N 1 0 384.933 2.473 20 0 GEADRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000592195405 652590576 /nfs/dbraw/zinc/59/05/76/652590576.db2.gz KAPUASLVRPBGCF-WDEREUQCSA-N 1 0 375.252 2.178 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)ccc1SC(F)F ZINC000760045236 652593570 /nfs/dbraw/zinc/59/35/70/652593570.db2.gz GYYHAICZSAIDPU-LLVKDONJSA-N 1 0 397.513 2.493 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cn1 ZINC000633354758 652594021 /nfs/dbraw/zinc/59/40/21/652594021.db2.gz HGXUPSXVHJDBDI-KRWDZBQOSA-N 1 0 385.295 2.389 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000667233816 652597883 /nfs/dbraw/zinc/59/78/83/652597883.db2.gz SGZVPNUDOOXMGV-UHFFFAOYSA-N 1 0 375.416 2.477 20 0 GEADRO O=C(NCCSCCOc1cccc(Br)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592532243 652598930 /nfs/dbraw/zinc/59/89/30/652598930.db2.gz CSCPUGVQYWMVEA-DFBGVHRSSA-N 1 0 385.327 2.428 20 0 GEADRO O=C(NCCSCCOc1cccc(Br)c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592532560 652599060 /nfs/dbraw/zinc/59/90/60/652599060.db2.gz KNKKQAHEQLUPMX-FICVDOATSA-N 1 0 385.327 2.143 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000667266106 652599387 /nfs/dbraw/zinc/59/93/87/652599387.db2.gz MQNQIINIVQMNLK-CYBMUJFWSA-N 1 0 391.269 2.194 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633481320 652599711 /nfs/dbraw/zinc/59/97/11/652599711.db2.gz XUXMAUCQUAEZDC-MRXNPFEDSA-N 1 0 399.329 2.353 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000592552839 652599975 /nfs/dbraw/zinc/59/99/75/652599975.db2.gz SKSZGXVNIBCGKN-ZDUSSCGKSA-N 1 0 395.253 2.481 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000667297775 652600580 /nfs/dbraw/zinc/60/05/80/652600580.db2.gz AWCLGETUWDVSSP-UHFFFAOYSA-N 1 0 394.191 2.275 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667311479 652601051 /nfs/dbraw/zinc/60/10/51/652601051.db2.gz IHJBSKVHJBLIJY-NSHDSACASA-N 1 0 375.416 2.395 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667311478 652601065 /nfs/dbraw/zinc/60/10/65/652601065.db2.gz IHJBSKVHJBLIJY-LLVKDONJSA-N 1 0 375.416 2.395 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667314660 652601505 /nfs/dbraw/zinc/60/15/05/652601505.db2.gz OUSYQWXSGRDVLA-QMMMGPOBSA-N 1 0 392.656 2.248 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)[C@@H](C)C[NH2+]1 ZINC000667455358 652606229 /nfs/dbraw/zinc/60/62/29/652606229.db2.gz OKNLMEWRYVGGFQ-MNOVXSKESA-N 1 0 375.416 2.488 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000667472568 652607098 /nfs/dbraw/zinc/60/70/98/652607098.db2.gz CWGNABGMOKWZSM-UBHSHLNASA-N 1 0 380.286 2.200 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000667475754 652607288 /nfs/dbraw/zinc/60/72/88/652607288.db2.gz PVGOXTVIAMRVGO-HNNXBMFYSA-N 1 0 386.677 2.253 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000667477896 652607369 /nfs/dbraw/zinc/60/73/69/652607369.db2.gz SUFIKGTUGCLVBE-HNNXBMFYSA-N 1 0 386.677 2.253 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000667475755 652607457 /nfs/dbraw/zinc/60/74/57/652607457.db2.gz PVGOXTVIAMRVGO-OAHLLOKOSA-N 1 0 386.677 2.253 20 0 GEADRO O=C(Nc1cccc(Cl)c1OCC(F)F)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667504755 652608861 /nfs/dbraw/zinc/60/88/61/652608861.db2.gz KSLSFBPNHJATCP-SNVBAGLBSA-N 1 0 375.803 2.181 20 0 GEADRO [NH3+]C/C=C\CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000667517538 652609840 /nfs/dbraw/zinc/60/98/40/652609840.db2.gz RJOZHMRDWNUURD-UPHRSURJSA-N 1 0 381.274 2.322 20 0 GEADRO C[NH+]1CCC(CNC(=S)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000760466920 652610566 /nfs/dbraw/zinc/61/05/66/652610566.db2.gz KXAVULYENFIOKJ-UHFFFAOYSA-N 1 0 390.962 2.340 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)ncc1Br ZINC000667534336 652610658 /nfs/dbraw/zinc/61/06/58/652610658.db2.gz XARGDFKPSGTXJK-UHFFFAOYSA-N 1 0 395.301 2.083 20 0 GEADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=S)NCC1CC[NH+](C)CC1 ZINC000760466624 652610704 /nfs/dbraw/zinc/61/07/04/652610704.db2.gz FERULINKHUMYBN-AWEZNQCLSA-N 1 0 383.583 2.299 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000667537162 652611148 /nfs/dbraw/zinc/61/11/48/652611148.db2.gz RUWPJQWHYABXMZ-SWLSCSKDSA-N 1 0 380.286 2.215 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667540211 652611501 /nfs/dbraw/zinc/61/15/01/652611501.db2.gz DQYUEPFYNBYFNS-DOMZBBRYSA-N 1 0 380.286 2.160 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)n2)s1 ZINC000667540174 652611536 /nfs/dbraw/zinc/61/15/36/652611536.db2.gz CMXXSGZYTQCOPY-NEPJUHHUSA-N 1 0 376.507 2.329 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000667545347 652612165 /nfs/dbraw/zinc/61/21/65/652612165.db2.gz RWRYQEKLJDLHMD-GWCFXTLKSA-N 1 0 386.265 2.421 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)CC[C@@H]1[NH3+] ZINC000667546823 652612465 /nfs/dbraw/zinc/61/24/65/652612465.db2.gz SEUIHDKXURUTGD-AAEUAGOBSA-N 1 0 398.301 2.290 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[C@H]1[NH3+] ZINC000667549005 652612631 /nfs/dbraw/zinc/61/26/31/652612631.db2.gz ZGGRHQGTSLQCGK-PRHODGIISA-N 1 0 390.228 2.252 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000633783406 652614191 /nfs/dbraw/zinc/61/41/91/652614191.db2.gz QVRLDLGBSUMURD-KFKAGJAMSA-N 1 0 392.341 2.231 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000667585612 652614398 /nfs/dbraw/zinc/61/43/98/652614398.db2.gz PEQJVDVHLBFBNM-QWRGUYRKSA-N 1 0 382.486 2.277 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000667586045 652614406 /nfs/dbraw/zinc/61/44/06/652614406.db2.gz KAALACTYTAFVOU-UWVGGRQHSA-N 1 0 381.757 2.456 20 0 GEADRO C[C@@H]1CN(Cc2c(F)cncc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000667683743 652617481 /nfs/dbraw/zinc/61/74/81/652617481.db2.gz ZRZNHTYDGCZZDG-CXAGYDPISA-N 1 0 385.325 2.441 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000633942714 652622360 /nfs/dbraw/zinc/62/23/60/652622360.db2.gz RMLKBGRXIZLTDL-UHFFFAOYSA-N 1 0 382.302 2.088 20 0 GEADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000668008494 652624885 /nfs/dbraw/zinc/62/48/85/652624885.db2.gz XMHYLFGVSGDOOE-LLVKDONJSA-N 1 0 379.258 2.341 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000633992250 652625811 /nfs/dbraw/zinc/62/58/11/652625811.db2.gz PBZMQGLKZZQTJY-UHFFFAOYSA-N 1 0 381.274 2.053 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc3c2OCCC3)C[C@H]1[NH+]1CCCC1 ZINC000593582901 652626215 /nfs/dbraw/zinc/62/62/15/652626215.db2.gz FBXSIDIKJJNDEU-CVEARBPZSA-N 1 0 382.551 2.212 20 0 GEADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000668056931 652627942 /nfs/dbraw/zinc/62/79/42/652627942.db2.gz WTMQOBNXNJAHQM-MRXNPFEDSA-N 1 0 383.539 2.169 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000634030513 652628643 /nfs/dbraw/zinc/62/86/43/652628643.db2.gz XCEZICYHPDVLGY-QXAKKESOSA-N 1 0 392.341 2.231 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000593733349 652633999 /nfs/dbraw/zinc/63/39/99/652633999.db2.gz FUBIOUVYZGGFOG-GUYCJALGSA-N 1 0 386.901 2.266 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(OC)c(I)n1 ZINC000761155269 652634287 /nfs/dbraw/zinc/63/42/87/652634287.db2.gz LKSZDUJAAYITCS-UHFFFAOYSA-N 1 0 391.253 2.109 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000668262384 652635729 /nfs/dbraw/zinc/63/57/29/652635729.db2.gz OHMNMLRDPWDQQW-GFCCVEGCSA-N 1 0 387.322 2.241 20 0 GEADRO C[NH2+][C@@H](C)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299337 652636453 /nfs/dbraw/zinc/63/64/53/652636453.db2.gz OXJXVFNLNVZRBP-NSHDSACASA-N 1 0 383.290 2.170 20 0 GEADRO C[N@H+](CCNC(=O)c1cc(Br)ccc1-n1cnnn1)C1CCCC1 ZINC000668314121 652637791 /nfs/dbraw/zinc/63/77/91/652637791.db2.gz IEYQLTJHFRBNHU-UHFFFAOYSA-N 1 0 393.289 2.029 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)s1 ZINC000668356949 652639601 /nfs/dbraw/zinc/63/96/01/652639601.db2.gz GXJRFMCJLGVXTE-CYBMUJFWSA-N 1 0 387.571 2.440 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000594106565 652640049 /nfs/dbraw/zinc/64/00/49/652640049.db2.gz FPSFPSOZVFESAO-HNNXBMFYSA-N 1 0 387.311 2.175 20 0 GEADRO Cc1cc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)nn1-c1cccc(Cl)c1 ZINC000602499164 652640310 /nfs/dbraw/zinc/64/03/10/652640310.db2.gz NQAGLVSRNSBYCG-RUZDIDTESA-N 1 0 380.901 2.273 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1c(Cl)cccc1Br ZINC000668395149 652640789 /nfs/dbraw/zinc/64/07/89/652640789.db2.gz COFAFHOQXBFBHD-LBPRGKRZSA-N 1 0 388.737 2.397 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c(Cl)cccc2Br)C1 ZINC000668435783 652642064 /nfs/dbraw/zinc/64/20/64/652642064.db2.gz NUPPNTPHLYCAMU-LLVKDONJSA-N 1 0 375.694 2.482 20 0 GEADRO O=C1NCCN1C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634642085 652646017 /nfs/dbraw/zinc/64/60/17/652646017.db2.gz DYPGQYHJSMNPAQ-HNNXBMFYSA-N 1 0 388.295 2.223 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)CC1(O)CCOCC1 ZINC000634643739 652646049 /nfs/dbraw/zinc/64/60/49/652646049.db2.gz HRTOCLDPVPULCH-DZGCQCFKSA-N 1 0 386.286 2.155 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000594443542 652650074 /nfs/dbraw/zinc/65/00/74/652650074.db2.gz REGJJDGVAVUEPD-JTQLQIEISA-N 1 0 390.864 2.028 20 0 GEADRO [NH3+]C[C@H](NC(=O)c1c(F)cccc1I)C(F)(F)F ZINC000594451897 652652932 /nfs/dbraw/zinc/65/29/32/652652932.db2.gz SHXSRAJTNYIWOP-ZETCQYMHSA-N 1 0 376.091 2.050 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634698112 652654359 /nfs/dbraw/zinc/65/43/59/652654359.db2.gz AORACTHBVMJHAO-YOEHRIQHSA-N 1 0 385.302 2.198 20 0 GEADRO C[C@@](O)(C[C@H](O)C[NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000634703014 652655276 /nfs/dbraw/zinc/65/52/76/652655276.db2.gz OJYKUJCOXPCUQU-FUHWJXTLSA-N 1 0 399.329 2.071 20 0 GEADRO Cc1c(Br)cncc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668638869 652655595 /nfs/dbraw/zinc/65/55/95/652655595.db2.gz BTPZKIPOUSBWHG-CYBMUJFWSA-N 1 0 381.318 2.051 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc3ccccc3n2C)C[C@H]1[NH+]1CCCC1 ZINC000594460450 652655913 /nfs/dbraw/zinc/65/59/13/652655913.db2.gz PBEUMIBFHAWFBT-IAGOWNOFSA-N 1 0 379.551 2.379 20 0 GEADRO CCNC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634708174 652655924 /nfs/dbraw/zinc/65/59/24/652655924.db2.gz QZEOIFQZLCZBSW-KGLIPLIRSA-N 1 0 376.284 2.127 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634710308 652656640 /nfs/dbraw/zinc/65/66/40/652656640.db2.gz XDMCOOITZXQLGY-IUODEOHRSA-N 1 0 390.293 2.401 20 0 GEADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H](O)C[C@@](C)(O)C3CC3)nc12 ZINC000634712117 652656711 /nfs/dbraw/zinc/65/67/11/652656711.db2.gz ZJRRZIWOMYMDRW-DOTOQJQBSA-N 1 0 382.302 2.407 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CSc2ccc(Br)cc21)CC1(O)CCOCC1 ZINC000634712950 652657238 /nfs/dbraw/zinc/65/72/38/652657238.db2.gz ORDMLKYBNMBLEU-OCCSQVGLSA-N 1 0 388.327 2.478 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CSc2ccc(Br)cc21)CC1(O)CCOCC1 ZINC000634712951 652657465 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GEADRO COc1ccc([C@H](C)NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000668846585 652670601 /nfs/dbraw/zinc/67/06/01/652670601.db2.gz ZZBICKMKUMTSCR-ZETOZRRWSA-N 1 0 386.290 2.276 20 0 GEADRO COc1ccc([C@H](C)NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000668846583 652670803 /nfs/dbraw/zinc/67/08/03/652670803.db2.gz ZZBICKMKUMTSCR-JRPNMDOOSA-N 1 0 386.290 2.276 20 0 GEADRO Cc1ccc(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000634882295 652673720 /nfs/dbraw/zinc/67/37/20/652673720.db2.gz JKMQCSBJHDFKHL-AWEZNQCLSA-N 1 0 383.334 2.193 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)CC1 ZINC000634969193 652678863 /nfs/dbraw/zinc/67/88/63/652678863.db2.gz HXUSJNFKMCDHAE-ZFWWWQNUSA-N 1 0 379.444 2.413 20 0 GEADRO O=S(=O)(CCC[NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000634982266 652680880 /nfs/dbraw/zinc/68/08/80/652680880.db2.gz HLCCZGOJIKCWPC-AWEZNQCLSA-N 1 0 379.931 2.061 20 0 GEADRO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634994013 652681707 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397.317 2.208 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc(Br)c1F ZINC000595232350 652708872 /nfs/dbraw/zinc/70/88/72/652708872.db2.gz XTSVEWIUMZAPPS-GHMZBOCLSA-N 1 0 392.200 2.278 20 0 GEADRO COCCOCC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1O ZINC000635277835 652709139 /nfs/dbraw/zinc/70/91/39/652709139.db2.gz KINGLGJVAVKZHD-UHFFFAOYSA-N 1 0 375.263 2.078 20 0 GEADRO Cn1c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1-c1ccccc1Br ZINC000762719870 652716271 /nfs/dbraw/zinc/71/62/71/652716271.db2.gz SCMDDDDOZUTZGT-GOSISDBHSA-N 1 0 392.297 2.251 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Br)ncc1F ZINC000762768322 652717618 /nfs/dbraw/zinc/71/76/18/652717618.db2.gz JKOFOKCWTKNIHA-XQJJYNOISA-N 1 0 399.264 2.354 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000595403712 652723990 /nfs/dbraw/zinc/72/39/90/652723990.db2.gz HIVFLCCYWOBLIP-HOTGVXAUSA-N 1 0 387.318 2.296 20 0 GEADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1ccsc1)c1ccc(S(N)(=O)=O)cc1 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DFQYEUMPPLELBM-KGLIPLIRSA-N 1 0 389.279 2.171 20 0 GEADRO O=C(CN[C@H](CO)c1cccc(Cl)c1Cl)NC(=O)NCc1ccco1 ZINC000595827922 652736718 /nfs/dbraw/zinc/73/67/18/652736718.db2.gz FPMNTALVLTUTHC-CYBMUJFWSA-N 1 0 386.235 2.235 20 0 GEADRO COC(=O)CCN1CCC[C@H](N[C@H](CO)c2cccc(Cl)c2Cl)C1=O ZINC000595827519 652736811 /nfs/dbraw/zinc/73/68/11/652736811.db2.gz DFQYEUMPPLELBM-UONOGXRCSA-N 1 0 389.279 2.171 20 0 GEADRO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000595828572 652737364 /nfs/dbraw/zinc/73/73/64/652737364.db2.gz XYHCDUBWPZMGFI-HNNXBMFYSA-N 1 0 376.563 2.348 20 0 GEADRO COCCOCC[N@H+](C)CCC(=O)N1CCc2cccc(Br)c2C1 ZINC000635591524 652742556 /nfs/dbraw/zinc/74/25/56/652742556.db2.gz BHXARGSRTVICFR-UHFFFAOYSA-N 1 0 399.329 2.319 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(I)c(Cl)c1 ZINC000595952280 652743011 /nfs/dbraw/zinc/74/30/11/652743011.db2.gz XYWKFXDBYQEQHH-UHFFFAOYSA-N 1 0 376.625 2.426 20 0 GEADRO CS[C@@H]1CN(C(=O)CCN2C(=S)N=NC2c2cccs2)C[C@@H]1[NH+](C)C 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[NH3+]CC1(CCNC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 ZINC000638388027 652887959 /nfs/dbraw/zinc/88/79/59/652887959.db2.gz NKKONJJSSHXRPM-OAHLLOKOSA-N 1 0 394.313 2.185 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1ccccc1 ZINC000638415216 652888493 /nfs/dbraw/zinc/88/84/93/652888493.db2.gz XMMRIYXPJMHZGU-CQSZACIVSA-N 1 0 375.270 2.433 20 0 GEADRO O=C(COc1ccc(Br)cn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000638401860 652888682 /nfs/dbraw/zinc/88/86/82/652888682.db2.gz HYJHYMNBGFNQQQ-CQSZACIVSA-N 1 0 382.302 2.461 20 0 GEADRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cnn3cc(Br)cnc23)c1 ZINC000638418838 652889392 /nfs/dbraw/zinc/88/93/92/652889392.db2.gz LRZNWFRFRFFWRA-OAHLLOKOSA-N 1 0 391.269 2.330 20 0 GEADRO NS(=O)(=O)c1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000638449507 652889675 /nfs/dbraw/zinc/88/96/75/652889675.db2.gz SHIXTONVYXHZGY-INIZCTEOSA-N 1 0 379.551 2.397 20 0 GEADRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000638487001 652890812 /nfs/dbraw/zinc/89/08/12/652890812.db2.gz KFGGMDZFTPFPPO-CYBMUJFWSA-N 1 0 381.523 2.020 20 0 GEADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CN1CC[NH2+]CC1 ZINC000638530962 652892485 /nfs/dbraw/zinc/89/24/85/652892485.db2.gz ZEYVPTGTZSBVOK-HNNXBMFYSA-N 1 0 382.302 2.026 20 0 GEADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000638533971 652893091 /nfs/dbraw/zinc/89/30/91/652893091.db2.gz UWDZIDXQEIQDKU-HIFRSBDPSA-N 1 0 383.286 2.500 20 0 GEADRO O=C(CSCc1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938266 652893317 /nfs/dbraw/zinc/89/33/17/652893317.db2.gz MZAPITSTGPSRKA-HOTGVXAUSA-N 1 0 399.354 2.350 20 0 GEADRO COC1CC[NH+](CCNC(=O)NCc2ccc(F)cc2Br)CC1 ZINC000674327533 652894553 /nfs/dbraw/zinc/89/45/53/652894553.db2.gz FGMAMSFPOLGXRI-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO COC1CC[NH+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000674333015 652894977 /nfs/dbraw/zinc/89/49/77/652894977.db2.gz SCKRDXNIVNIFLN-UHFFFAOYSA-N 1 0 380.436 2.114 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000638569422 652895249 /nfs/dbraw/zinc/89/52/49/652895249.db2.gz ZXVTVERRRWEYNI-XHSDSOJGSA-N 1 0 382.302 2.273 20 0 GEADRO O=C(N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21)[C@@H]1C[NH2+]CCO1 ZINC000638595851 652897192 /nfs/dbraw/zinc/89/71/92/652897192.db2.gz KZYXWDLVCGGNKD-GJZGRUSLSA-N 1 0 378.270 2.412 20 0 GEADRO O=C(N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21)[C@H]1C[NH2+]CCO1 ZINC000638595853 652897215 /nfs/dbraw/zinc/89/72/15/652897215.db2.gz KZYXWDLVCGGNKD-LSDHHAIUSA-N 1 0 378.270 2.412 20 0 GEADRO CCOc1c(Br)cc(C(=O)NC2(C[NH3+])CCOCC2)cc1OC ZINC000638635779 652899650 /nfs/dbraw/zinc/89/96/50/652899650.db2.gz HYTOXSZLSUPUMW-UHFFFAOYSA-N 1 0 387.274 2.094 20 0 GEADRO Cc1cc(C(=O)NC2(C[NH3+])CCOCC2)nn1-c1ccc(Br)cc1 ZINC000638634835 652899907 /nfs/dbraw/zinc/89/99/07/652899907.db2.gz PIWXIIGWLXWMEQ-UHFFFAOYSA-N 1 0 393.285 2.181 20 0 GEADRO O=C(Nc1cc(C(=O)NC[C@@H]2COCC[NH2+]2)ccc1Cl)c1cccs1 ZINC000638624666 652899966 /nfs/dbraw/zinc/89/99/66/652899966.db2.gz GLTMMADAHMUAGY-GFCCVEGCSA-N 1 0 379.869 2.372 20 0 GEADRO [NH3+]CC1(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CCOCC1 ZINC000638636364 652900282 /nfs/dbraw/zinc/90/02/82/652900282.db2.gz ZWKXSNXCTLDHGP-UHFFFAOYSA-N 1 0 379.258 2.077 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C[NH2+]1 ZINC000638638799 652900405 /nfs/dbraw/zinc/90/04/05/652900405.db2.gz GGXNMQBHCHNPLZ-KCXAZCMYSA-N 1 0 394.313 2.197 20 0 GEADRO COc1cc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)sn1 ZINC000638640441 652900464 /nfs/dbraw/zinc/90/04/64/652900464.db2.gz BKRRXHQNTDWVBB-UHFFFAOYSA-N 1 0 381.523 2.236 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C[NH2+]1 ZINC000638638804 652900527 /nfs/dbraw/zinc/90/05/27/652900527.db2.gz GGXNMQBHCHNPLZ-WQVCFCJDSA-N 1 0 394.313 2.197 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638653027 652901060 /nfs/dbraw/zinc/90/10/60/652901060.db2.gz VJOKSCYLYNLBHM-ONGXEEELSA-N 1 0 389.315 2.031 20 0 GEADRO [NH3+]CCCOCCNC(=O)CCOc1ccc(Cl)cc1Br ZINC000638659315 652901328 /nfs/dbraw/zinc/90/13/28/652901328.db2.gz CDWPAUFEZVIFCN-UHFFFAOYSA-N 1 0 379.682 2.353 20 0 GEADRO CN(CCOCC[NH3+])C(=O)Cc1ccc(Br)c(Br)c1 ZINC000638670480 652902067 /nfs/dbraw/zinc/90/20/67/652902067.db2.gz NYAVKUSAJIOZIM-UHFFFAOYSA-N 1 0 394.107 2.188 20 0 GEADRO [NH3+]CCCOCCNC(=O)c1cc(Br)ccc1Br ZINC000638663484 652902073 /nfs/dbraw/zinc/90/20/73/652902073.db2.gz LTZOTYRFORGYGE-UHFFFAOYSA-N 1 0 380.080 2.307 20 0 GEADRO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638748323 652905443 /nfs/dbraw/zinc/90/54/43/652905443.db2.gz QWECBTDNAHPRDY-HNNXBMFYSA-N 1 0 392.301 2.373 20 0 GEADRO O=C(c1c(F)cncc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638792726 652906944 /nfs/dbraw/zinc/90/69/44/652906944.db2.gz PHMRNZSUBIHLPZ-GFCCVEGCSA-N 1 0 386.265 2.214 20 0 GEADRO CN1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638842455 652909623 /nfs/dbraw/zinc/90/96/23/652909623.db2.gz RRBKRWXHCDQZCF-DLBZAZTESA-N 1 0 396.329 2.033 20 0 GEADRO COC[C@@]1(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CCCC[NH2+]1 ZINC000638943118 652914268 /nfs/dbraw/zinc/91/42/68/652914268.db2.gz PGVPICGBENHGAB-BVIKNXMNSA-N 1 0 379.298 2.362 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000638939147 652914406 /nfs/dbraw/zinc/91/44/06/652914406.db2.gz DOCPJCKNFOCIBV-BLLLJJGKSA-N 1 0 394.313 2.249 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000638949385 652914687 /nfs/dbraw/zinc/91/46/87/652914687.db2.gz CYXZYEZQMQPIKZ-MGCOHNPYSA-N 1 0 382.258 2.027 20 0 GEADRO Cc1c(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000639029162 652916244 /nfs/dbraw/zinc/91/62/44/652916244.db2.gz YLAUZBKKROKPSG-JOCQHMNTSA-N 1 0 378.274 2.338 20 0 GEADRO O=S1(=O)CCC(O)(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000767415710 652924120 /nfs/dbraw/zinc/92/41/20/652924120.db2.gz OVUOWHOGUPBYBQ-CVEARBPZSA-N 1 0 387.567 2.356 20 0 GEADRO NC(=O)COc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000767426853 652924556 /nfs/dbraw/zinc/92/45/56/652924556.db2.gz UBRHCIOMYLNTQX-MRXNPFEDSA-N 1 0 379.254 2.136 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000767430246 652924908 /nfs/dbraw/zinc/92/49/08/652924908.db2.gz QCGKASGHDVHVMT-JTNHKYCSSA-N 1 0 375.922 2.250 20 0 GEADRO CC(C)(O)C[NH+]1CCC(N[C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000639203966 652926795 /nfs/dbraw/zinc/92/67/95/652926795.db2.gz NVDMRLYPTYFROJ-INIZCTEOSA-N 1 0 389.309 2.447 20 0 GEADRO CO[C@H](CNc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1CCOC1 ZINC000639241364 652927576 /nfs/dbraw/zinc/92/75/76/652927576.db2.gz JVRKIIOJPVWBME-IUODEOHRSA-N 1 0 386.290 2.144 20 0 GEADRO CO[C@H](C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)[C@@H]1CCOC1 ZINC000639251253 652928532 /nfs/dbraw/zinc/92/85/32/652928532.db2.gz ILLSQFJARSRGOF-PBFPGSCMSA-N 1 0 390.293 2.380 20 0 GEADRO CCOc1cc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc(Br)c1O ZINC000639365702 652934302 /nfs/dbraw/zinc/93/43/02/652934302.db2.gz RLWBQMLXXSNDQJ-IRXDYDNUSA-N 1 0 397.269 2.038 20 0 GEADRO C[C@@H]1OCC[C@H]1C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000639520126 652939926 /nfs/dbraw/zinc/93/99/26/652939926.db2.gz XESOIOUYWDPVRM-GJZGRUSLSA-N 1 0 396.329 2.430 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639530600 652940255 /nfs/dbraw/zinc/94/02/55/652940255.db2.gz FCBBJAZUFZOUIR-OAHLLOKOSA-N 1 0 377.312 2.122 20 0 GEADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000639593013 652942789 /nfs/dbraw/zinc/94/27/89/652942789.db2.gz ACIFCSVVHXBTRZ-LBPRGKRZSA-N 1 0 383.208 2.483 20 0 GEADRO CC1(C)CN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1CCO ZINC000639601494 652943297 /nfs/dbraw/zinc/94/32/97/652943297.db2.gz GAYLCHRVKHSVFA-HNNXBMFYSA-N 1 0 377.312 2.122 20 0 GEADRO COc1cc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cnc1Cl ZINC000767705907 652944979 /nfs/dbraw/zinc/94/49/79/652944979.db2.gz ILIMTYMNDZIOAT-STQMWFEESA-N 1 0 375.922 2.390 20 0 GEADRO CC[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Cl)s1 ZINC000676096161 652953835 /nfs/dbraw/zinc/95/38/35/652953835.db2.gz IILUFLHQKDJJPH-GFCCVEGCSA-N 1 0 383.905 2.366 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000601138817 652955830 /nfs/dbraw/zinc/95/58/30/652955830.db2.gz WNOBKIBRMHRSEK-OAHLLOKOSA-N 1 0 387.933 2.286 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000601294307 653085276 /nfs/dbraw/zinc/08/52/76/653085276.db2.gz PHOZQRPOYFDSGV-GUBZILKMSA-N 1 0 375.238 2.305 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1COCC[C@H]1O ZINC000601306495 653085828 /nfs/dbraw/zinc/08/58/28/653085828.db2.gz KDCLXNGFMRJQPW-KCPJHIHWSA-N 1 0 375.250 2.352 20 0 GEADRO OCC[NH2+]C1CCN(Cc2cc(Cl)ccc2I)CC1 ZINC000601328480 653086667 /nfs/dbraw/zinc/08/66/67/653086667.db2.gz QYZLEGSGDXPOSI-UHFFFAOYSA-N 1 0 394.684 2.491 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000639916328 653088482 /nfs/dbraw/zinc/08/84/82/653088482.db2.gz MDJYDUIIAIQVLQ-LRDDRELGSA-N 1 0 378.897 2.164 20 0 GEADRO CO[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)[C@](C)(CO)C1 ZINC000639997815 653092791 /nfs/dbraw/zinc/09/27/91/653092791.db2.gz OKOTWGKHZLJGEX-BBRMVZONSA-N 1 0 382.258 2.471 20 0 GEADRO CO[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@](C)(CO)C1 ZINC000640012008 653093518 /nfs/dbraw/zinc/09/35/18/653093518.db2.gz ZXKMGFFHTBDAHF-PVUWLOKVSA-N 1 0 385.302 2.098 20 0 GEADRO FC(F)(F)COCCC[NH+]1CCN(Cn2ccc(Br)n2)CC1 ZINC000767969310 653096500 /nfs/dbraw/zinc/09/65/00/653096500.db2.gz IMRFMMDQLWKKBG-UHFFFAOYSA-N 1 0 385.228 2.190 20 0 GEADRO Cc1nn(C)c(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000640161691 653097744 /nfs/dbraw/zinc/09/77/44/653097744.db2.gz DUTRJTIXXBVIJH-QWRGUYRKSA-N 1 0 388.310 2.112 20 0 GEADRO CSc1ncc(Cl)c(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000601477213 653098948 /nfs/dbraw/zinc/09/89/48/653098948.db2.gz GOPCULOWXFATQZ-CYBMUJFWSA-N 1 0 383.949 2.092 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC[N@@H+](C(C)C)CC1 ZINC000768136813 653101733 /nfs/dbraw/zinc/10/17/33/653101733.db2.gz CHTRYYQOOBYKAQ-OAHLLOKOSA-N 1 0 388.965 2.121 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000771345968 653105497 /nfs/dbraw/zinc/10/54/97/653105497.db2.gz XUVPGMJHMPNOFG-OWCLPIDISA-N 1 0 386.631 2.081 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768244539 653107136 /nfs/dbraw/zinc/10/71/36/653107136.db2.gz QNBAYTRMPYTLRU-HUUCEWRRSA-N 1 0 388.965 2.121 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768244537 653107356 /nfs/dbraw/zinc/10/73/56/653107356.db2.gz QNBAYTRMPYTLRU-CABCVRRESA-N 1 0 388.965 2.121 20 0 GEADRO O=C(Cc1ccc(I)cc1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601551354 653111053 /nfs/dbraw/zinc/11/10/53/653111053.db2.gz HCZYEOPYLCJPBX-DZGCQCFKSA-N 1 0 384.261 2.434 20 0 GEADRO CCC[N@H+](CCNS(=O)(=O)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768538716 653115797 /nfs/dbraw/zinc/11/57/97/653115797.db2.gz DMLYMLVBCRPLDE-UHFFFAOYSA-N 1 0 377.551 2.037 20 0 GEADRO C[C@@H](NC(=O)Nc1nn(C)cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000640313896 653117663 /nfs/dbraw/zinc/11/76/63/653117663.db2.gz USSNZCKQWQPSDG-RISCZKNCSA-N 1 0 380.290 2.996 20 0 GEADRO C[C@H](NC(=O)Nc1nn(C)cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000640313897 653117736 /nfs/dbraw/zinc/11/77/36/653117736.db2.gz USSNZCKQWQPSDG-SMDDNHRTSA-N 1 0 380.290 2.996 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640385090 653124129 /nfs/dbraw/zinc/12/41/29/653124129.db2.gz LJOQKLCHZDCMHH-QMMMGPOBSA-N 1 0 387.378 2.996 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640385081 653124220 /nfs/dbraw/zinc/12/42/20/653124220.db2.gz YBOIMVWGKQLVNF-MRVPVSSYSA-N 1 0 387.378 2.998 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640387705 653125175 /nfs/dbraw/zinc/12/51/75/653125175.db2.gz XCUZAUMCULKYDT-SSDOTTSWSA-N 1 0 375.367 3.042 20 0 GEADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ncsc2Br)CC1 ZINC000805707942 653127516 /nfs/dbraw/zinc/12/75/16/653127516.db2.gz BONNXMFSUPUEBR-UHFFFAOYSA-N 1 0 376.320 2.479 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000678690360 653130839 /nfs/dbraw/zinc/13/08/39/653130839.db2.gz VMKBOCVKATWVGB-HNNXBMFYSA-N 1 0 388.327 2.430 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000768847242 653131453 /nfs/dbraw/zinc/13/14/53/653131453.db2.gz QLNBWLJQKIVHEK-RYUDHWBXSA-N 1 0 379.917 2.438 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)CCCO ZINC000771894009 653131612 /nfs/dbraw/zinc/13/16/12/653131612.db2.gz UKNTUOPUTHLNAZ-ZDUSSCGKSA-N 1 0 377.938 2.093 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000602018727 653138269 /nfs/dbraw/zinc/13/82/69/653138269.db2.gz AXWPYLQVLSFTMG-SECBINFHSA-N 1 0 390.267 2.175 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cc(CN2CC[NH2+]CC2)nn1 ZINC000640783785 653138669 /nfs/dbraw/zinc/13/86/69/653138669.db2.gz VFTZPHGPOOFGEP-LLVKDONJSA-N 1 0 383.283 2.190 20 0 GEADRO C[C@H]1CCCCN1C(=O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640795016 653139019 /nfs/dbraw/zinc/13/90/19/653139019.db2.gz ZMDDNQSUOSAKHI-YVEFUNNKSA-N 1 0 392.301 2.490 20 0 GEADRO CC(C)[C@@H](C)NC(=O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640798250 653139584 /nfs/dbraw/zinc/13/95/84/653139584.db2.gz PPNRSCYQGPBPPH-BDJLRTHQSA-N 1 0 380.290 2.249 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000679293840 653143149 /nfs/dbraw/zinc/14/31/49/653143149.db2.gz UUICYPQLIRKQLD-UKRRQHHQSA-N 1 0 378.416 2.441 20 0 GEADRO C[NH2+]C(C)(C)c1cn(CC(=O)Nc2c(F)cc(F)cc2Br)nn1 ZINC000640895787 653144508 /nfs/dbraw/zinc/14/45/08/653144508.db2.gz QHNFIVSSMIZCTG-UHFFFAOYSA-N 1 0 388.216 2.412 20 0 GEADRO COCC[NH2+]CCc1cn(Cc2cc(Br)cc3cccnc32)nn1 ZINC000640949110 653146687 /nfs/dbraw/zinc/14/66/87/653146687.db2.gz FZIFUCKBEXOTCN-UHFFFAOYSA-N 1 0 390.285 2.416 20 0 GEADRO Brc1cc2cccnc2c(Cn2cc(CN3CC[NH2+]CC3)nn2)c1 ZINC000640949357 653147332 /nfs/dbraw/zinc/14/73/32/653147332.db2.gz LETKHOHHMZXUCD-UHFFFAOYSA-N 1 0 387.285 2.042 20 0 GEADRO O=C(Cn1cc([C@H]2CCC[NH2+]C2)nn1)NCCc1cccc(Cl)c1Cl ZINC000640983265 653148542 /nfs/dbraw/zinc/14/85/42/653148542.db2.gz SXQLSWSEYRBSHY-ZDUSSCGKSA-N 1 0 382.295 2.411 20 0 GEADRO [NH3+]CCOCc1cn(Cc2coc(-c3ccc(Br)cc3)n2)nn1 ZINC000640999783 653149980 /nfs/dbraw/zinc/14/99/80/653149980.db2.gz PQBZPIXLCCSENV-UHFFFAOYSA-N 1 0 378.230 2.219 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000641027496 653151034 /nfs/dbraw/zinc/15/10/34/653151034.db2.gz WAMKLTKRZFZVAK-QGZVFWFLSA-N 1 0 395.345 2.418 20 0 GEADRO [NH3+]CCCCc1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641040931 653152217 /nfs/dbraw/zinc/15/22/17/653152217.db2.gz GSORWWIACNVAEL-UHFFFAOYSA-N 1 0 391.273 2.344 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)N[C@@H]1CCC[NH2+]CC1 ZINC000641041388 653152267 /nfs/dbraw/zinc/15/22/67/653152267.db2.gz BSCWMKPNELAUFM-DZGCQCFKSA-N 1 0 384.318 2.041 20 0 GEADRO Clc1ccc(Br)cc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641040996 653152295 /nfs/dbraw/zinc/15/22/95/653152295.db2.gz YJCOMHNEXGSBQY-UHFFFAOYSA-N 1 0 384.709 2.190 20 0 GEADRO COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H](C)[NH+](C)C ZINC000602158445 653152528 /nfs/dbraw/zinc/15/25/28/653152528.db2.gz UNGKROTUJOMZTH-QMTHXVAHSA-N 1 0 387.274 2.080 20 0 GEADRO [NH3+][C@H](c1cn(CCOC[C@@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000641060067 653153255 /nfs/dbraw/zinc/15/32/55/653153255.db2.gz DJHLKQLMKYKVRI-HOCLYGCPSA-N 1 0 381.274 2.284 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000641053239 653153401 /nfs/dbraw/zinc/15/34/01/653153401.db2.gz RDLIONONUIVXCD-VXGBXAGGSA-N 1 0 376.284 2.174 20 0 GEADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(I)c(O)c1 ZINC000602166548 653153355 /nfs/dbraw/zinc/15/33/55/653153355.db2.gz IXHGLSMXVIRSOF-TXEJJXNPSA-N 1 0 386.233 2.353 20 0 GEADRO C[C@@H](NC(=O)C[NH2+][C@H](CO)C1CCOCC1)c1ccc(Br)cc1 ZINC000679871644 653156431 /nfs/dbraw/zinc/15/64/31/653156431.db2.gz GYGCPSILRIYDGS-MLGOLLRUSA-N 1 0 385.302 2.003 20 0 GEADRO [NH3+][C@@H](c1cn([C@@H]2CCN(C3CCC3)C2=O)nn1)c1ccc(Br)cc1 ZINC000641110110 653157990 /nfs/dbraw/zinc/15/79/90/653157990.db2.gz YKBWGRKSWIRWDD-HZPDHXFCSA-N 1 0 390.285 2.415 20 0 GEADRO COCC[C@H]([NH3+])Cc1cn(Cc2cc(Br)cc(F)c2F)nn1 ZINC000641119112 653159451 /nfs/dbraw/zinc/15/94/51/653159451.db2.gz IHKGYGJZBCJDBK-NSHDSACASA-N 1 0 375.217 2.273 20 0 GEADRO Brc1ccc2c(c1)[C@H](n1cc(CN3CC[NH2+]CC3)nn1)CCC2 ZINC000641122595 653159774 /nfs/dbraw/zinc/15/97/74/653159774.db2.gz JSPAIGOHPKSJJE-QGZVFWFLSA-N 1 0 376.302 2.372 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2nc3ccc(Br)cc3o2)nn1)[C@@H]1CCCO1 ZINC000641130490 653160085 /nfs/dbraw/zinc/16/00/85/653160085.db2.gz NLMFKSVMZITVRP-WFASDCNBSA-N 1 0 378.230 2.409 20 0 GEADRO CC(C)[C@H](CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)[NH+]1CCN(C)CC1 ZINC000806361269 653160448 /nfs/dbraw/zinc/16/04/48/653160448.db2.gz MEICLHQHQQAXGI-UXLLHSPISA-N 1 0 391.387 2.484 20 0 GEADRO CN(CCC[NH3+])Cc1cn(Cc2nc3ccc(Br)cc3o2)nn1 ZINC000641131022 653161393 /nfs/dbraw/zinc/16/13/93/653161393.db2.gz SLANEHMSJVSKFW-UHFFFAOYSA-N 1 0 379.262 2.011 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2nc3cc(Br)ccc3[nH]2)nn1)[C@H]1CCCO1 ZINC000641161518 653163200 /nfs/dbraw/zinc/16/32/00/653163200.db2.gz DOWXXJLWAUXCHY-HIFRSBDPSA-N 1 0 377.246 2.144 20 0 GEADRO C[C@H]1C[NH+](C(C)(C)CNc2cc(Br)cnc2C(N)=O)C[C@H](C)O1 ZINC000680330681 653164690 /nfs/dbraw/zinc/16/46/90/653164690.db2.gz QHOBDTHUJLRIJW-QWRGUYRKSA-N 1 0 385.306 2.243 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H]2CCNC(=O)CC2)nn1)c1ccc(Br)cc1 ZINC000641172844 653165506 /nfs/dbraw/zinc/16/55/06/653165506.db2.gz YHJCZCZALKVNSS-BZNIZROVSA-N 1 0 378.274 2.005 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nccn2c(Br)cnc12 ZINC000769617210 653166008 /nfs/dbraw/zinc/16/60/08/653166008.db2.gz MPSKSJDJFVNLHC-GFCCVEGCSA-N 1 0 380.290 2.486 20 0 GEADRO [NH3+][C@@H](c1cn(CCOc2cc(F)cc(Br)c2)nn1)[C@H]1CCCO1 ZINC000641178022 653166668 /nfs/dbraw/zinc/16/66/68/653166668.db2.gz UKQQERLJZYICRJ-CABCVRRESA-N 1 0 385.237 2.438 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H](O)CC(F)(F)F)nn1)c1ccc(Br)cc1 ZINC000641212560 653170169 /nfs/dbraw/zinc/17/01/69/653170169.db2.gz LVMZWKXLTRQWQH-PWSUYJOCSA-N 1 0 379.180 2.402 20 0 GEADRO C[NH2+][C@H](C)c1cn(C[C@@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000641213857 653170755 /nfs/dbraw/zinc/17/07/55/653170755.db2.gz HDRPINZKEZGHJN-MWLCHTKSSA-N 1 0 389.681 2.414 20 0 GEADRO [NH3+][C@H](c1cn(CC2(O)CCSCC2)nn1)c1ccc(Br)cc1 ZINC000641219137 653170831 /nfs/dbraw/zinc/17/08/31/653170831.db2.gz FCBCMEOOTFIWJP-AWEZNQCLSA-N 1 0 383.315 2.347 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cn(C)cc(Br)c2=O)[C@H](C)C1 ZINC000680844365 653171053 /nfs/dbraw/zinc/17/10/53/653171053.db2.gz FZKMKVGVAFISQU-RISCZKNCSA-N 1 0 385.306 2.342 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)cc1F ZINC000806624508 653171079 /nfs/dbraw/zinc/17/10/79/653171079.db2.gz OSXOUTNQVQVILO-LBPRGKRZSA-N 1 0 375.462 2.241 20 0 GEADRO CC(C)[N@H+](C)C[C@H](O)Cn1cc(C(=O)c2ccc(Br)cc2F)nn1 ZINC000641224787 653171320 /nfs/dbraw/zinc/17/13/20/653171320.db2.gz ZDMHOCOJSHBJTC-LBPRGKRZSA-N 1 0 399.264 2.112 20 0 GEADRO COc1ccc(-c2cn(C[C@H](O)C[N@H+](C)C(C)C)nn2)cc1Br ZINC000641223697 653171378 /nfs/dbraw/zinc/17/13/78/653171378.db2.gz PWYFLEYVPWEHGR-CYBMUJFWSA-N 1 0 383.290 2.417 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000772945639 653172979 /nfs/dbraw/zinc/17/29/79/653172979.db2.gz IIBYQHYXHWPFBR-UONOGXRCSA-N 1 0 383.539 2.040 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000602348493 653173713 /nfs/dbraw/zinc/17/37/13/653173713.db2.gz QQKGOAOIFMETEW-LSDHHAIUSA-N 1 0 383.286 2.209 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769749348 653175366 /nfs/dbraw/zinc/17/53/66/653175366.db2.gz PNNWRVYSGIGMSZ-UHFFFAOYSA-N 1 0 380.290 2.342 20 0 GEADRO COc1cc(CS(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)sn1 ZINC000641278792 653177612 /nfs/dbraw/zinc/17/76/12/653177612.db2.gz KPUQWDIPFFLZSO-OKILXGFUSA-N 1 0 375.560 2.329 20 0 GEADRO Nc1c(Br)cc(Br)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000681111900 653177835 /nfs/dbraw/zinc/17/78/35/653177835.db2.gz OWXUPXGXSJSTJL-UWVGGRQHSA-N 1 0 375.108 2.445 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(Cl)cc1 ZINC000769802987 653178507 /nfs/dbraw/zinc/17/85/07/653178507.db2.gz XMVJYPQVRJCLNV-MSOLQXFVSA-N 1 0 386.945 2.347 20 0 GEADRO O=S(=O)(CCn1ccnc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000641289039 653179421 /nfs/dbraw/zinc/17/94/21/653179421.db2.gz IKYQSTQOTRYPQZ-UWVGGRQHSA-N 1 0 379.326 2.276 20 0 GEADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000773085624 653180589 /nfs/dbraw/zinc/18/05/89/653180589.db2.gz ZOWOZCZONKPBAR-HNNXBMFYSA-N 1 0 376.588 2.068 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2nnc(SCc3ccccc3)s2)CC[NH2+]CC1 ZINC000602435669 653180752 /nfs/dbraw/zinc/18/07/52/653180752.db2.gz KGLRZOYUAQGFPC-RUZDIDTESA-N 1 0 396.563 2.270 20 0 GEADRO COc1ccccc1-c1csc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)n1 ZINC000602440280 653181294 /nfs/dbraw/zinc/18/12/94/653181294.db2.gz PWRXGKJZTVNXPR-RUZDIDTESA-N 1 0 379.507 2.258 20 0 GEADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)C[C@@H](COC)OC ZINC000641297965 653181427 /nfs/dbraw/zinc/18/14/27/653181427.db2.gz HQWOGPWKEVITTK-MRXNPFEDSA-N 1 0 378.579 2.389 20 0 GEADRO C[S@@](=O)C1(C(=O)NCc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000602447387 653181690 /nfs/dbraw/zinc/18/16/90/653181690.db2.gz DUXKSNWPZOTXAQ-OAQYLSRUSA-N 1 0 393.734 2.219 20 0 GEADRO C[S@](=O)C1(C(=O)N[C@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000602453049 653182288 /nfs/dbraw/zinc/18/22/88/653182288.db2.gz YSYSLVYMZXGFMS-FPTDNZKUSA-N 1 0 385.327 2.053 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)c1ccc[nH]1 ZINC000773124303 653182630 /nfs/dbraw/zinc/18/26/30/653182630.db2.gz XGDJTIRTOGDWEV-CHWSQXEVSA-N 1 0 385.511 2.152 20 0 GEADRO CC1(C)[C@@H](CS(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1(F)F ZINC000641307931 653183408 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O[C@@H](C[NH2+]CCC[C@H]1CCO1)COc1ccc(I)cc1 ZINC000602535077 653188976 /nfs/dbraw/zinc/18/89/76/653188976.db2.gz MQKCEOADENTXAA-KBPBESRZSA-N 1 0 391.249 2.190 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)c2cc(F)c(F)cc2I)C[NH2+]1 ZINC000602554018 653190641 /nfs/dbraw/zinc/19/06/41/653190641.db2.gz MDWYTZJOAZJJLO-HTQZYQBOSA-N 1 0 380.176 2.440 20 0 GEADRO [NH3+]CC1(NC(=O)c2ccc(Cl)c(I)c2)CCOCC1 ZINC000602548229 653190807 /nfs/dbraw/zinc/19/08/07/653190807.db2.gz SQEXKVGYLLODBM-UHFFFAOYSA-N 1 0 394.640 2.182 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2nccn3c(Br)cnc23)C1 ZINC000769937845 653191556 /nfs/dbraw/zinc/19/15/56/653191556.db2.gz LIKNZTMSYIGSNJ-ZDUSSCGKSA-N 1 0 392.301 2.296 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCC(=O)c1ccc(I)cc1 ZINC000602596928 653193336 /nfs/dbraw/zinc/19/33/36/653193336.db2.gz TTWUAZSQZLIQOK-MFKMUULPSA-N 1 0 386.233 2.202 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000807432597 653194047 /nfs/dbraw/zinc/19/40/47/653194047.db2.gz 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[NH3+][C@@H](c1cn(C[C@@H](O)c2ccc(F)c(Br)c2)nn1)C1CCOCC1 ZINC000881417836 653730318 /nfs/dbraw/zinc/73/03/18/653730318.db2.gz PGXRPTXPHKUQIU-HZPDHXFCSA-N 1 0 399.264 2.340 20 0 GEADRO C[C@](O)(Cn1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1)c1ccc(Br)cc1F ZINC000881425303 653730892 /nfs/dbraw/zinc/73/08/92/653730892.db2.gz VTKMNBGIVOHPNA-OAGGEKHMSA-N 1 0 399.264 2.266 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1Cl ZINC000818430053 653731339 /nfs/dbraw/zinc/73/13/39/653731339.db2.gz KRJNEXHEFZJUMM-GFCCVEGCSA-N 1 0 386.901 2.279 20 0 GEADRO C[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@H]1C[NH3+] ZINC000818519006 653732332 /nfs/dbraw/zinc/73/23/32/653732332.db2.gz UIGFXGNLIOXUMW-HZMBPMFUSA-N 1 0 389.315 2.052 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH2+]CC2(C)C)ccc1Cl ZINC000818524387 653732455 /nfs/dbraw/zinc/73/24/55/653732455.db2.gz JVPMUXDOXRQKSR-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000818594217 653734153 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C[C@](O)(C[NH2+]CCN1CCSCC1)c1ccc(Br)cc1F ZINC000819057204 653741989 /nfs/dbraw/zinc/74/19/89/653741989.db2.gz ULGDJCFINIKTJY-HNNXBMFYSA-N 1 0 377.323 2.434 20 0 GEADRO CC(=O)N[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)c1cccc(Br)c1 ZINC000864610296 653742065 /nfs/dbraw/zinc/74/20/65/653742065.db2.gz MWEODCRUSGNSGD-OAHLLOKOSA-N 1 0 384.318 2.330 20 0 GEADRO CC[NH+]1CCN(CC(=O)NCc2cc3cc(Br)ccc3o2)CC1 ZINC000881832945 653742080 /nfs/dbraw/zinc/74/20/80/653742080.db2.gz PMYJJQDTBAZGRR-UHFFFAOYSA-N 1 0 380.286 2.449 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000864608600 653742174 /nfs/dbraw/zinc/74/21/74/653742174.db2.gz KHGXTFFGLPWLTQ-UHFFFAOYSA-N 1 0 376.245 2.047 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)n1C ZINC000819064403 653742340 /nfs/dbraw/zinc/74/23/40/653742340.db2.gz WTAMQSJKVKFHJX-INIZCTEOSA-N 1 0 385.281 2.385 20 0 GEADRO C[C@@](O)(C[NH2+]CCN1C(=O)CCC1=O)c1ccc(Br)cc1Cl ZINC000819064911 653742345 /nfs/dbraw/zinc/74/23/45/653742345.db2.gz 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KLTHMJTWKMPALA-SWLSCSKDSA-N 1 0 376.284 2.095 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842022633 653743915 /nfs/dbraw/zinc/74/39/15/653743915.db2.gz ZRCWQBGLVNKUNS-JQRITLKVSA-N 1 0 396.329 2.225 20 0 GEADRO COc1cc(NC(=O)CC[NH2+]C[C@H]2CSCCS2)cc(OC)c1OC ZINC000819142086 653744284 /nfs/dbraw/zinc/74/42/84/653744284.db2.gz OKFCANVEBMVOSE-ZDUSSCGKSA-N 1 0 386.539 2.479 20 0 GEADRO O=S(=O)(N1CCC([NH2+]C[C@H](O)c2ccccc2Cl)CC1)C(F)(F)F ZINC000819147363 653744403 /nfs/dbraw/zinc/74/44/03/653744403.db2.gz ZHANMXUWJAPJPW-ZDUSSCGKSA-N 1 0 386.823 2.277 20 0 GEADRO CON(C)C(=O)CC[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000819153744 653744547 /nfs/dbraw/zinc/74/45/47/653744547.db2.gz MWJVHYZYZGPZOZ-NSHDSACASA-N 1 0 380.798 2.332 20 0 GEADRO CCS(=O)(=O)CC[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000819153666 653744596 /nfs/dbraw/zinc/74/45/96/653744596.db2.gz LOKGMWIVCXMDEW-NSHDSACASA-N 1 0 385.839 2.357 20 0 GEADRO 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CC(=O)N[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000864930214 653748654 /nfs/dbraw/zinc/74/86/54/653748654.db2.gz ALCFCEMWDDRNLU-CXAGYDPISA-N 1 0 396.329 2.474 20 0 GEADRO COc1ccc(Br)c([C@H]2C(=O)N(CC[N@H+](C)C3CC3)C(=O)N2C)c1 ZINC000842237265 653749134 /nfs/dbraw/zinc/74/91/34/653749134.db2.gz CBZGRLUOGBZZTJ-HNNXBMFYSA-N 1 0 396.285 2.487 20 0 GEADRO CCc1nn(C)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000881934074 653751346 /nfs/dbraw/zinc/75/13/46/653751346.db2.gz NJHXBHNDRNZWQE-SUMWQHHRSA-N 1 0 382.555 2.405 20 0 GEADRO COC(=O)C1(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCC1 ZINC000881934195 653751429 /nfs/dbraw/zinc/75/14/29/653751429.db2.gz PPDJRSKFSZMISU-ZFWWWQNUSA-N 1 0 386.539 2.146 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)Cn1ccc(Br)cc1=O)c1ccco1 ZINC000865028595 653751561 /nfs/dbraw/zinc/75/15/61/653751561.db2.gz NWUKCVYMNWXLLP-AWEZNQCLSA-N 1 0 396.285 2.403 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842304652 653751696 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COc1cc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cnc1Br ZINC000788454215 653756984 /nfs/dbraw/zinc/75/69/84/653756984.db2.gz GOJKCVSGFPWODS-UHFFFAOYSA-N 1 0 395.257 2.440 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000842480927 653757990 /nfs/dbraw/zinc/75/79/90/653757990.db2.gz CKZZSLHVJYWCPX-WBMJQRKESA-N 1 0 386.901 2.279 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000865262663 653758323 /nfs/dbraw/zinc/75/83/23/653758323.db2.gz OZQKGBBSIPHQNN-KOMQPUFPSA-N 1 0 383.583 2.043 20 0 GEADRO C[NH+](C)CCNC(=S)N1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000865268995 653758510 /nfs/dbraw/zinc/75/85/10/653758510.db2.gz WOAMBHLWEOKLEE-UHFFFAOYSA-N 1 0 384.615 2.246 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842484913 653758535 /nfs/dbraw/zinc/75/85/35/653758535.db2.gz CKURBJXSMIHHAR-NXEZZACHSA-N 1 0 395.294 2.202 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)cc1Cl ZINC000842486040 653758660 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GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000819909282 653761864 /nfs/dbraw/zinc/76/18/64/653761864.db2.gz IIRJZRZQIFRAJL-HUUCEWRRSA-N 1 0 377.551 2.084 20 0 GEADRO O=C(NCCc1nc([C@H]2CCC[NH2+]C2)no1)c1cc(F)ccc1Br ZINC000842665730 653762057 /nfs/dbraw/zinc/76/20/57/653762057.db2.gz SJCPMFSRDIBUBV-JTQLQIEISA-N 1 0 397.248 2.411 20 0 GEADRO O=C1COc2cc(Br)ccc2N1Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842669406 653762127 /nfs/dbraw/zinc/76/21/27/653762127.db2.gz ORNXTZYUFZLMEA-SNVBAGLBSA-N 1 0 393.241 2.225 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Br)cnc3Cl)[C@@H]2C1 ZINC000819913633 653762327 /nfs/dbraw/zinc/76/23/27/653762327.db2.gz NCRQAYYOPXXDSD-GXSJLCMTSA-N 1 0 394.722 2.212 20 0 GEADRO C[C@H](CNC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)N1CC[NH+](C)CC1 ZINC000788661206 653762465 /nfs/dbraw/zinc/76/24/65/653762465.db2.gz JHWZEJAXNKIKCW-LLVKDONJSA-N 1 0 378.826 2.048 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)[C@@H](O)c1c(F)cccc1Cl ZINC000842687462 653763014 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CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000788821372 653765034 /nfs/dbraw/zinc/76/50/34/653765034.db2.gz DZZOOHZWVKJFJB-KKUMJFAQSA-N 1 0 376.316 2.428 20 0 GEADRO C[C@@H](CNc1ccc(Br)cc1S(N)(=O)=O)C[NH+]1CCCC1 ZINC000865452475 653765693 /nfs/dbraw/zinc/76/56/93/653765693.db2.gz JYIVDMLMDYDQBC-NSHDSACASA-N 1 0 376.320 2.240 20 0 GEADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cccnc2Br)C1 ZINC000865461699 653765965 /nfs/dbraw/zinc/76/59/65/653765965.db2.gz YNUJIXYWBIFPRE-ZDUSSCGKSA-N 1 0 375.270 2.312 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000865460479 653765973 /nfs/dbraw/zinc/76/59/73/653765973.db2.gz QSWLFHHTZYTSKA-UHFFFAOYSA-N 1 0 376.473 2.037 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1Br ZINC000842748413 653765984 /nfs/dbraw/zinc/76/59/84/653765984.db2.gz OUOOEVHLJVVEIX-GFCCVEGCSA-N 1 0 387.299 2.167 20 0 GEADRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000842755354 653766090 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COC(=O)c1sc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c(C)c1Cl ZINC000842804619 653768721 /nfs/dbraw/zinc/76/87/21/653768721.db2.gz RCDDVFSAANFWAL-JTQLQIEISA-N 1 0 380.919 2.292 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CCCS(=O)(=O)C1)CC(F)(F)F ZINC000865570876 653768801 /nfs/dbraw/zinc/76/88/01/653768801.db2.gz OWJTXCFAKMINDY-RYUDHWBXSA-N 1 0 388.452 2.247 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865588177 653769119 /nfs/dbraw/zinc/76/91/19/653769119.db2.gz XMKLURRSOHZCCC-RYUDHWBXSA-N 1 0 376.320 2.381 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)ccc1Br ZINC000842814056 653769273 /nfs/dbraw/zinc/76/92/73/653769273.db2.gz DTKPBANYBIQTNP-KOLCDFICSA-N 1 0 375.288 2.071 20 0 GEADRO Cn1nc(Br)cc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000820237238 653769387 /nfs/dbraw/zinc/76/93/87/653769387.db2.gz PLSMMPCUVMJHSA-UHFFFAOYSA-N 1 0 392.301 2.182 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC000882208117 653769590 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CN(CCC[NH+]1CCCC1)c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882305579 653775255 /nfs/dbraw/zinc/77/52/55/653775255.db2.gz VDVOMGSKNDNZRM-UHFFFAOYSA-N 1 0 397.239 2.490 20 0 GEADRO COC[C@@H](CN1CCO[C@H](C)C1)OC(=O)CSc1ccc(F)c(F)c1 ZINC000842967385 653775572 /nfs/dbraw/zinc/77/55/72/653775572.db2.gz SYBLKAOQQOSWII-CHWSQXEVSA-N 1 0 375.437 2.336 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000865806706 653775593 /nfs/dbraw/zinc/77/55/93/653775593.db2.gz MOBUIPLHNGZZEJ-LRDDRELGSA-N 1 0 384.318 2.473 20 0 GEADRO CC(C)(C[NH2+][C@H]1CCc2cccc(Br)c2C1)CS(N)(=O)=O ZINC000865813887 653776018 /nfs/dbraw/zinc/77/60/18/653776018.db2.gz MERJPHSDJKBEJE-LBPRGKRZSA-N 1 0 375.332 2.211 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(C)c(Br)cn2)cc1 ZINC000865818390 653776096 /nfs/dbraw/zinc/77/60/96/653776096.db2.gz UOZNQDIUVAANQJ-UHFFFAOYSA-N 1 0 398.326 2.393 20 0 GEADRO OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000843068035 653778556 /nfs/dbraw/zinc/77/85/56/653778556.db2.gz JEPABDXBFWZXID-NVXWUHKLSA-N 1 0 380.286 2.339 20 0 GEADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843064055 653778566 /nfs/dbraw/zinc/77/85/66/653778566.db2.gz FSTTXHOEAAZXLT-RDJZCZTQSA-N 1 0 398.276 2.478 20 0 GEADRO OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)c1ccccc1Br ZINC000843065160 653778579 /nfs/dbraw/zinc/77/85/79/653778579.db2.gz JVYDFDKSFDNAHE-WBVHZDCISA-N 1 0 380.286 2.339 20 0 GEADRO C[C@@](O)(CNC[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000843063226 653778598 /nfs/dbraw/zinc/77/85/98/653778598.db2.gz XSWNIWBAZJAAAO-CZUORRHYSA-N 1 0 391.737 2.356 20 0 GEADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000843084771 653778814 /nfs/dbraw/zinc/77/88/14/653778814.db2.gz CLNRHXISRUBBSC-CXAGYDPISA-N 1 0 376.856 2.378 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)COc1ccccc1Br ZINC000843094692 653779086 /nfs/dbraw/zinc/77/90/86/653779086.db2.gz LHUPGWPNTXAKTF-IUODEOHRSA-N 1 0 385.233 2.046 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000843095691 653779131 /nfs/dbraw/zinc/77/91/31/653779131.db2.gz VTJLKWUCXSUPTQ-IUODEOHRSA-N 1 0 376.856 2.378 20 0 GEADRO C[C@](O)(C[NH2+]C[C@H]1CCCCN1CCO)c1ccc(Br)cc1F ZINC000843096425 653779370 /nfs/dbraw/zinc/77/93/70/653779370.db2.gz ZVPBUJMGULNESN-PBHICJAKSA-N 1 0 389.309 2.232 20 0 GEADRO OC[C@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)Cc1ccccc1Br ZINC000843109109 653779529 /nfs/dbraw/zinc/77/95/29/653779529.db2.gz DLCZEWHVRPPAJK-SJCJKPOMSA-N 1 0 383.261 2.457 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000843111727 653779793 /nfs/dbraw/zinc/77/97/93/653779793.db2.gz NRKRDFMBWCFHLQ-HUUCEWRRSA-N 1 0 376.856 2.378 20 0 GEADRO CC(C)[C@@H]([NH3+])c1noc(Cn2cnc3ccc(Br)cc3c2=O)n1 ZINC000843155732 653780714 /nfs/dbraw/zinc/78/07/14/653780714.db2.gz WMIWUUFNSUJBFN-CYBMUJFWSA-N 1 0 378.230 2.246 20 0 GEADRO C[NH2+]CCCc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000843200867 653781113 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CCc1n[nH]c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1Br ZINC000789950471 653783441 /nfs/dbraw/zinc/78/34/41/653783441.db2.gz QIGONODYETYASM-LBPRGKRZSA-N 1 0 385.306 2.108 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl ZINC000882476504 653783936 /nfs/dbraw/zinc/78/39/36/653783936.db2.gz ATRLMBQLWRFPPZ-CZUORRHYSA-N 1 0 383.945 2.402 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1cccc(Br)c1 ZINC000866043025 653784452 /nfs/dbraw/zinc/78/44/52/653784452.db2.gz IGFWEAFEZFXXMR-VUCTXSBTSA-N 1 0 396.329 2.425 20 0 GEADRO Cn1nc(Br)c2c1ncnc2Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000866057204 653784853 /nfs/dbraw/zinc/78/48/53/653784853.db2.gz GFJGVGMQINESGO-UHFFFAOYSA-N 1 0 391.277 2.333 20 0 GEADRO Cc1ccc(/C=C\C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(Br)c1 ZINC000843325143 653785174 /nfs/dbraw/zinc/78/51/74/653785174.db2.gz HQZKUYHTOLGMTB-XHPSBEMXSA-N 1 0 394.313 2.084 20 0 GEADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843327133 653785360 /nfs/dbraw/zinc/78/53/60/653785360.db2.gz HVSMLGAUXMIGMK-INIZCTEOSA-N 1 0 381.263 2.470 20 0 GEADRO CN(CCS(=O)(=O)c1cccc(Br)c1)C1CCC([NH3+])CC1 ZINC000843355082 653785500 /nfs/dbraw/zinc/78/55/00/653785500.db2.gz LQCFGHVUVSFKOL-UHFFFAOYSA-N 1 0 375.332 2.425 20 0 GEADRO C[N@@H+]1CCN(c2cnn(-c3ccccn3)c(=O)c2Br)CCC1(C)C ZINC000866113146 653786341 /nfs/dbraw/zinc/78/63/41/653786341.db2.gz VCMSCKHYQHJHND-UHFFFAOYSA-N 1 0 392.301 2.311 20 0 GEADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000843448592 653787173 /nfs/dbraw/zinc/78/71/73/653787173.db2.gz BEPPFSSNSZTUSW-CJNGLKHVSA-N 1 0 377.243 2.285 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1nccn1Cc1ccc(Br)cc1 ZINC000843449479 653787238 /nfs/dbraw/zinc/78/72/38/653787238.db2.gz ZPGNLJLGDANKQM-OAHLLOKOSA-N 1 0 393.285 2.401 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)[C@H]1C ZINC000843473087 653787720 /nfs/dbraw/zinc/78/77/20/653787720.db2.gz ASRWZYHUYCHATB-RYUDHWBXSA-N 1 0 387.933 2.239 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)/C=C\c1ccc(C)cc1Br ZINC000843476871 653787965 /nfs/dbraw/zinc/78/79/65/653787965.db2.gz HPCQYLNRLPNHTC-IDTUSYRASA-N 1 0 381.270 2.134 20 0 GEADRO O=C(/C=C\c1ccc(I)o1)N[C@H]1C[NH2+]CCC1(F)F ZINC000843485833 653788098 /nfs/dbraw/zinc/78/80/98/653788098.db2.gz XSOGTSQENVCROD-MDHMXLOGSA-N 1 0 382.148 2.011 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1cnn(-c2ccccc2Br)c1 ZINC000843496386 653788304 /nfs/dbraw/zinc/78/83/04/653788304.db2.gz YSRJNUBQTPRTKT-ZDUSSCGKSA-N 1 0 379.258 2.342 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Br)cnc1C1CC1 ZINC000820989943 653788305 /nfs/dbraw/zinc/78/83/05/653788305.db2.gz FJYGRIVJBHFFLR-CQSZACIVSA-N 1 0 382.302 2.298 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000843502756 653788459 /nfs/dbraw/zinc/78/84/59/653788459.db2.gz FRBIEKGTSPUXBN-STQMWFEESA-N 1 0 387.933 2.370 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH2+]C2CC2)c1 ZINC000843512964 653788821 /nfs/dbraw/zinc/78/88/21/653788821.db2.gz QHNRJUFAXNRATP-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(F)cc(Br)c1F ZINC000821057277 653789702 /nfs/dbraw/zinc/78/97/02/653789702.db2.gz QTYPXWFQHRYIJL-LLVKDONJSA-N 1 0 377.229 2.304 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CCN1c1cc[nH+]cc1 ZINC000882621111 653791048 /nfs/dbraw/zinc/79/10/48/653791048.db2.gz LCOGDMVGNQXZJJ-GFCCVEGCSA-N 1 0 397.298 2.139 20 0 GEADRO COc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cnc1Cl ZINC000882620541 653791097 /nfs/dbraw/zinc/79/10/97/653791097.db2.gz MWBIOPCKLLYTBQ-GFCCVEGCSA-N 1 0 382.873 2.038 20 0 GEADRO O=C1CCCN1[C@@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000790453930 653792360 /nfs/dbraw/zinc/79/23/60/653792360.db2.gz MKHFBGMJPZBJSZ-CYBMUJFWSA-N 1 0 390.281 2.418 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000821271263 653793369 /nfs/dbraw/zinc/79/33/69/653793369.db2.gz ORNVPPHGVYRQIL-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CCc2cc(Br)ccc21 ZINC000843778717 653793650 /nfs/dbraw/zinc/79/36/50/653793650.db2.gz JNRBNYYICFKYPX-ZMSDIMECSA-N 1 0 379.298 2.458 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000843778742 653793653 /nfs/dbraw/zinc/79/36/53/653793653.db2.gz KPBHKXLLLUBZMA-QWRGUYRKSA-N 1 0 387.249 2.190 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(Cl)c3cccnc23)CC1 ZINC000866421152 653794393 /nfs/dbraw/zinc/79/43/93/653794393.db2.gz WKPDOYYATZVKHW-UHFFFAOYSA-N 1 0 383.901 2.234 20 0 GEADRO C[C@@H]1CN(C(=O)c2csc(Br)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000821436326 653798660 /nfs/dbraw/zinc/79/86/60/653798660.db2.gz MEVUFPAEWUPJSZ-DGCLKSJQSA-N 1 0 387.347 2.004 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1Br ZINC000866519735 653800299 /nfs/dbraw/zinc/80/02/99/653800299.db2.gz VENAWLICZBRTLR-BDJLRTHQSA-N 1 0 385.258 2.330 20 0 GEADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000866525404 653800674 /nfs/dbraw/zinc/80/06/74/653800674.db2.gz RTSGEPQYWFPUAO-BZNIZROVSA-N 1 0 387.249 2.330 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)C(=O)c1ccc(Br)s1)CCO2 ZINC000844093828 653801182 /nfs/dbraw/zinc/80/11/82/653801182.db2.gz ILEKDCFAKTZNTL-UHFFFAOYSA-N 1 0 387.299 2.017 20 0 GEADRO CC(C)(CNS(=O)(=O)c1c(Cl)nc2sccn21)C[NH+]1CCCC1 ZINC000790937608 653801418 /nfs/dbraw/zinc/80/14/18/653801418.db2.gz XWNUBGXCLOYKIE-UHFFFAOYSA-N 1 0 376.935 2.450 20 0 GEADRO CC(C)(C[NH2+][C@H]1CCc2c1ccc(F)c2Br)CS(N)(=O)=O ZINC000866573488 653802900 /nfs/dbraw/zinc/80/29/00/653802900.db2.gz WSOCWCQZUCLYBM-LBPRGKRZSA-N 1 0 379.295 2.480 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000866577281 653803064 /nfs/dbraw/zinc/80/30/64/653803064.db2.gz DOZHVLUFAKKGQS-BSEYFRJRSA-N 1 0 380.535 2.225 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc2ncc(I)n2c1 ZINC000844198195 653803335 /nfs/dbraw/zinc/80/33/35/653803335.db2.gz FGUYPVFTHASBBZ-SNVBAGLBSA-N 1 0 386.237 2.042 20 0 GEADRO C[C@@](O)(CN1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(Br)cc1Cl ZINC000844282219 653804240 /nfs/dbraw/zinc/80/42/40/653804240.db2.gz KDUGDPJFVJNLFG-CZUORRHYSA-N 1 0 389.721 2.061 20 0 GEADRO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000844290205 653804360 /nfs/dbraw/zinc/80/43/60/653804360.db2.gz JGZBKDFYMLRXIX-OAHLLOKOSA-N 1 0 377.551 2.085 20 0 GEADRO CN(C)C(=O)N1CCC([NH2+][C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000866595084 653805000 /nfs/dbraw/zinc/80/50/00/653805000.db2.gz VWWNWCHTLQKXSF-ZDUSSCGKSA-N 1 0 382.302 2.488 20 0 GEADRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844377483 653805704 /nfs/dbraw/zinc/80/57/04/653805704.db2.gz HBHQAGDQTITULM-RISCZKNCSA-N 1 0 378.441 2.008 20 0 GEADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000882767421 653805782 /nfs/dbraw/zinc/80/57/82/653805782.db2.gz NDJLELYBCHAELC-UHFFFAOYSA-N 1 0 392.294 2.232 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)CC2)N1 ZINC000866608815 653806064 /nfs/dbraw/zinc/80/60/64/653806064.db2.gz FPHSCUVZTOPQBT-SNFZYLHSSA-N 1 0 390.281 2.198 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(c2ncc(Br)cc2F)CC1 ZINC000882813427 653810723 /nfs/dbraw/zinc/81/07/23/653810723.db2.gz MUUKJIDCXRETPX-UHFFFAOYSA-N 1 0 385.281 2.293 20 0 GEADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Br)cn2ncnc12 ZINC000821891809 653811035 /nfs/dbraw/zinc/81/10/35/653811035.db2.gz QATOQODWAQJTID-UHFFFAOYSA-N 1 0 378.274 2.239 20 0 GEADRO C[C@@H]1CN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CCN1c1cc[nH+]cc1 ZINC000882821346 653812006 /nfs/dbraw/zinc/81/20/06/653812006.db2.gz SBBHYNTXUCWUCG-GFCCVEGCSA-N 1 0 376.869 2.484 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H](CO)CC1CCCCC1 ZINC000895025153 653813298 /nfs/dbraw/zinc/81/32/98/653813298.db2.gz NWHOLTZRWFNCTH-LBPRGKRZSA-N 1 0 377.270 2.446 20 0 GEADRO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2csc(-c3cccs3)n2)C1 ZINC000866714142 653814198 /nfs/dbraw/zinc/81/41/98/653814198.db2.gz HEQQJZVSGOROMP-HZSPNIEDSA-N 1 0 376.507 2.239 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000866737637 653817191 /nfs/dbraw/zinc/81/71/91/653817191.db2.gz GYVMNGQGKDZBPG-NSHDSACASA-N 1 0 377.304 2.101 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)Cc2c(Br)cccc2OC)CC1 ZINC000866739767 653817566 /nfs/dbraw/zinc/81/75/66/653817566.db2.gz HDYNURWEHBHVOD-UHFFFAOYSA-N 1 0 391.331 2.219 20 0 GEADRO C[C@H]([NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000895100318 653818152 /nfs/dbraw/zinc/81/81/52/653818152.db2.gz AAPZARVJODAMJV-LNSITVRQSA-N 1 0 381.416 2.422 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000822096908 653818342 /nfs/dbraw/zinc/81/83/42/653818342.db2.gz OBMBLWFILALLCK-AWEZNQCLSA-N 1 0 397.317 2.492 20 0 GEADRO C[C@H]([NH2+]Cc1c2c(nn1C)CCSC2)c1cccc(NS(C)(=O)=O)c1 ZINC000882936175 653818905 /nfs/dbraw/zinc/81/89/05/653818905.db2.gz NMLFSHHVNOVQOP-LBPRGKRZSA-N 1 0 380.539 2.432 20 0 GEADRO Cn1cc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)c(Br)n1 ZINC000866769967 653822165 /nfs/dbraw/zinc/82/21/65/653822165.db2.gz RKNMZODDPXNIMS-UHFFFAOYSA-N 1 0 393.351 2.117 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866769915 653822215 /nfs/dbraw/zinc/82/22/15/653822215.db2.gz RQMCOEUXQGDKNN-WDEREUQCSA-N 1 0 386.930 2.355 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1(Cl)Cl ZINC000866770876 653822421 /nfs/dbraw/zinc/82/24/21/653822421.db2.gz HWWANEPVQWWBTH-BFHYXJOUSA-N 1 0 385.357 2.118 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1nc(Br)ccc1F ZINC000791748487 653822592 /nfs/dbraw/zinc/82/25/92/653822592.db2.gz CAPCGKBGKFUCSB-LLVKDONJSA-N 1 0 386.265 2.309 20 0 GEADRO O=C([C@@H]1CSCCS1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000844850569 653822714 /nfs/dbraw/zinc/82/27/14/653822714.db2.gz UTLIARGKMMNMCP-KURKYZTESA-N 1 0 378.563 2.337 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000866775672 653823873 /nfs/dbraw/zinc/82/38/73/653823873.db2.gz LJESCYYTFGCZKF-FRRDWIJNSA-N 1 0 394.324 2.438 20 0 GEADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895234687 653824331 /nfs/dbraw/zinc/82/43/31/653824331.db2.gz HRXSJIVFELDQAM-MJBXVCDLSA-N 1 0 389.949 2.289 20 0 GEADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895234683 653824337 /nfs/dbraw/zinc/82/43/37/653824337.db2.gz HRXSJIVFELDQAM-BFHYXJOUSA-N 1 0 389.949 2.289 20 0 GEADRO O=S(=O)(NCc1cccc2c1CC[NH2+]C2)c1cc2nc(Cl)ncc2s1 ZINC000866782874 653825387 /nfs/dbraw/zinc/82/53/87/653825387.db2.gz BCDGWZWIYIELBY-UHFFFAOYSA-N 1 0 394.909 2.469 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)c1 ZINC000866785097 653825715 /nfs/dbraw/zinc/82/57/15/653825715.db2.gz PCVJRUOLGZVOEP-ZDUSSCGKSA-N 1 0 387.933 2.098 20 0 GEADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cn(C)nc2I)cn1 ZINC000895277996 653825885 /nfs/dbraw/zinc/82/58/85/653825885.db2.gz NUPHFIBZVOWDEZ-JSGCOSHPSA-N 1 0 399.280 2.259 20 0 GEADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000895312280 653826581 /nfs/dbraw/zinc/82/65/81/653826581.db2.gz REQPKXQWQXUNSA-UHFFFAOYSA-N 1 0 379.448 2.471 20 0 GEADRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000895323620 653827405 /nfs/dbraw/zinc/82/74/05/653827405.db2.gz MVIPDZLSPBJSPI-NSHDSACASA-N 1 0 391.107 2.408 20 0 GEADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)Cc1cc(F)ccc1Br ZINC000866793653 653827447 /nfs/dbraw/zinc/82/74/47/653827447.db2.gz HBNKNEFZDKYRKO-UHFFFAOYSA-N 1 0 377.279 2.374 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)cc1Cl ZINC000866796167 653827671 /nfs/dbraw/zinc/82/76/71/653827671.db2.gz YEISGINEQFGQDY-UHFFFAOYSA-N 1 0 375.853 2.082 20 0 GEADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000866794703 653827761 /nfs/dbraw/zinc/82/77/61/653827761.db2.gz OIWYMGHMLBWPOD-UHFFFAOYSA-N 1 0 387.299 2.028 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2F)[C@H](C)C1 ZINC000866796866 653828123 /nfs/dbraw/zinc/82/81/23/653828123.db2.gz MBJBMIKXRWOSLW-OLZOCXBDSA-N 1 0 393.912 2.289 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822452313 653828582 /nfs/dbraw/zinc/82/85/82/653828582.db2.gz YKOIGWUCCUEXCP-HUUCEWRRSA-N 1 0 377.551 2.036 20 0 GEADRO C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC000822455483 653828701 /nfs/dbraw/zinc/82/87/01/653828701.db2.gz FVSRKMLOWSUIHS-KGLIPLIRSA-N 1 0 377.551 2.082 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000895338820 653828785 /nfs/dbraw/zinc/82/87/85/653828785.db2.gz VOALELYVCGQNQF-CYBMUJFWSA-N 1 0 387.933 2.275 20 0 GEADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000895345222 653829126 /nfs/dbraw/zinc/82/91/26/653829126.db2.gz ZCLCBLZVUPEWOD-ZIAGYGMSSA-N 1 0 376.316 2.128 20 0 GEADRO Clc1cc(Cl)c2nc(Cc3noc([C@]45C[NH2+]C[C@H]4COC5)n3)cn2c1 ZINC000844914579 653829303 /nfs/dbraw/zinc/82/93/03/653829303.db2.gz KVSRTWHTKHOXAW-FVMDXXJSSA-N 1 0 380.235 2.102 20 0 GEADRO C[NH+](C)CC[C@@H](N)c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000844921367 653829752 /nfs/dbraw/zinc/82/97/52/653829752.db2.gz YQXIAFVLGMAYPE-LLVKDONJSA-N 1 0 392.261 2.236 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866811996 653831005 /nfs/dbraw/zinc/83/10/05/653831005.db2.gz VSBANASRAXUZGO-LLVKDONJSA-N 1 0 391.331 2.433 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2nc(C(N)=O)cs2)C[C@@H]1C(F)(F)F ZINC000895394520 653832167 /nfs/dbraw/zinc/83/21/67/653832167.db2.gz PWNBNAZYXYBVKF-AEJSXWLSSA-N 1 0 379.404 2.242 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC[NH2+]CC1 ZINC000866821491 653832653 /nfs/dbraw/zinc/83/26/53/653832653.db2.gz HIWVSSKIQPMQAK-UHFFFAOYSA-N 1 0 384.395 2.282 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1nc(Br)nn1C ZINC000895418816 653833850 /nfs/dbraw/zinc/83/38/50/653833850.db2.gz QMSIULMTEJCFQY-HIFRSBDPSA-N 1 0 378.318 2.435 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000895439912 653834500 /nfs/dbraw/zinc/83/45/00/653834500.db2.gz MJEBAWPGXYNBBY-UHFFFAOYSA-N 1 0 394.317 2.089 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3nc(Br)ccc3F)CC2)CC1 ZINC000792114775 653834990 /nfs/dbraw/zinc/83/49/90/653834990.db2.gz PBSDUKLGJYGENV-UHFFFAOYSA-N 1 0 399.308 2.272 20 0 GEADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)COC1CC[NH+](C)CC1 ZINC000822652575 653835326 /nfs/dbraw/zinc/83/53/26/653835326.db2.gz OIOLWVBMVVKVAE-INIZCTEOSA-N 1 0 385.302 2.052 20 0 GEADRO COc1cccc([C@@H](CNC(=O)c2cn(C)nc2Br)[NH+](C)C)c1 ZINC000895460090 653836557 /nfs/dbraw/zinc/83/65/57/653836557.db2.gz GARGZLVVOVDBEP-CQSZACIVSA-N 1 0 381.274 2.224 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883364754 653837388 /nfs/dbraw/zinc/83/73/88/653837388.db2.gz NUENBOZCVLEKLE-KBPBESRZSA-N 1 0 387.933 2.396 20 0 GEADRO Brc1cscc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371170 653837664 /nfs/dbraw/zinc/83/76/64/653837664.db2.gz AHQXMGBGUNRLBF-OAHLLOKOSA-N 1 0 388.375 2.397 20 0 GEADRO CC[C@@H](Cc1cccs1)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000895486290 653837767 /nfs/dbraw/zinc/83/77/67/653837767.db2.gz AHAYWTSRYXDGHW-ZDUSSCGKSA-N 1 0 381.523 2.206 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000883387077 653838482 /nfs/dbraw/zinc/83/84/82/653838482.db2.gz RJYKNYWDTCMAGS-OAHLLOKOSA-N 1 0 390.285 2.348 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000895541689 653840190 /nfs/dbraw/zinc/84/01/90/653840190.db2.gz PXYUFYRPBLHTFZ-UHFFFAOYSA-N 1 0 390.269 2.362 20 0 GEADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000883468597 653840686 /nfs/dbraw/zinc/84/06/86/653840686.db2.gz WTBRNQPRLNNEGP-SNVBAGLBSA-N 1 0 397.722 2.068 20 0 GEADRO C[C@@H]1CN(Cc2c(I)cnn2C)CCN1c1cc[nH+]cc1 ZINC000895557638 653841010 /nfs/dbraw/zinc/84/10/10/653841010.db2.gz PZPPNEOHNSFEDA-GFCCVEGCSA-N 1 0 397.264 2.130 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000883472053 653841345 /nfs/dbraw/zinc/84/13/45/653841345.db2.gz LNSLQRNHVUIPPD-UHFFFAOYSA-N 1 0 382.738 2.453 20 0 GEADRO NS(=O)(=O)c1ccc2ccccc2c1N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000895568795 653841455 /nfs/dbraw/zinc/84/14/55/653841455.db2.gz KFTNWKYSGMTEEF-JKSUJKDBSA-N 1 0 377.535 2.479 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1c(Cl)ccc(F)c1F)C2 ZINC000883480816 653842327 /nfs/dbraw/zinc/84/23/27/653842327.db2.gz NLCDOUWHUJGADL-UHFFFAOYSA-N 1 0 379.841 2.280 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cccc(Br)c1)C2 ZINC000883481293 653842600 /nfs/dbraw/zinc/84/26/00/653842600.db2.gz FVNQGJLJOYHRSB-UHFFFAOYSA-N 1 0 388.312 2.111 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CC1 ZINC000883482903 653842985 /nfs/dbraw/zinc/84/29/85/653842985.db2.gz MVQWARSXKRJGNT-UHFFFAOYSA-N 1 0 378.853 2.158 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)CC1 ZINC000883483531 653843068 /nfs/dbraw/zinc/84/30/68/653843068.db2.gz KAETXCLARGFBIU-UHFFFAOYSA-N 1 0 395.294 2.489 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc1Cl ZINC000895613770 653843423 /nfs/dbraw/zinc/84/34/23/653843423.db2.gz FZXOFMVHGCXYPU-UHFFFAOYSA-N 1 0 388.917 2.467 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000883503982 653843709 /nfs/dbraw/zinc/84/37/09/653843709.db2.gz VADPJDKEPNNZFL-SGIREYDYSA-N 1 0 382.302 2.407 20 0 GEADRO Cn1nc(Br)nc1CNc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000895648621 653844528 /nfs/dbraw/zinc/84/45/28/653844528.db2.gz WKVGVALFXHIUMT-OAHLLOKOSA-N 1 0 391.317 2.474 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)C2 ZINC000883576042 653846179 /nfs/dbraw/zinc/84/61/79/653846179.db2.gz XGKNKJOTIBYNMU-CABZTGNLSA-N 1 0 378.420 2.170 20 0 GEADRO Brc1ccccc1-n1cc(C[NH+]2CCC3(CC2)COCCO3)nn1 ZINC000895696786 653846187 /nfs/dbraw/zinc/84/61/87/653846187.db2.gz HUYCFNPDCIHEFQ-UHFFFAOYSA-N 1 0 393.285 2.411 20 0 GEADRO COC[C@]1(c2nc(Cc3cc4c(cc3Br)OCO4)no2)CC[NH2+]C1 ZINC000822947704 653846842 /nfs/dbraw/zinc/84/68/42/653846842.db2.gz YNIJPNREPCOFEK-INIZCTEOSA-N 1 0 396.241 2.029 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C[NH2+]1 ZINC000883593597 653847002 /nfs/dbraw/zinc/84/70/02/653847002.db2.gz MZLZIYSBLTUITF-WPRPVWTQSA-N 1 0 383.246 2.042 20 0 GEADRO COC[C@]1(c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)CC[NH2+]C1 ZINC000822955900 653847227 /nfs/dbraw/zinc/84/72/27/653847227.db2.gz BTGJAWNGXFGTCC-INIZCTEOSA-N 1 0 382.251 2.492 20 0 GEADRO O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)c1nc[nH]c1Br ZINC000866911103 653848059 /nfs/dbraw/zinc/84/80/59/653848059.db2.gz SQFPOMARSWEMKF-UHFFFAOYSA-N 1 0 391.335 2.248 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000883628042 653848352 /nfs/dbraw/zinc/84/83/52/653848352.db2.gz YMLBMEHWZBNZEQ-UHFFFAOYSA-N 1 0 389.681 2.166 20 0 GEADRO Cc1cc(Br)ccc1Cc1noc(-c2cn(CCC[NH3+])nn2)n1 ZINC000822985831 653848932 /nfs/dbraw/zinc/84/89/32/653848932.db2.gz SQBONHQIFNMQMS-UHFFFAOYSA-N 1 0 377.246 2.339 20 0 GEADRO Cn1ncc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c1C(F)(F)F ZINC000866918710 653849487 /nfs/dbraw/zinc/84/94/87/653849487.db2.gz PBXMLZDGYHYHJO-UHFFFAOYSA-N 1 0 380.436 2.124 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000823017201 653850478 /nfs/dbraw/zinc/85/04/78/653850478.db2.gz GEBPFOIBZIUWND-GFCCVEGCSA-N 1 0 375.922 2.379 20 0 GEADRO C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1(Br)Br ZINC000823034222 653851023 /nfs/dbraw/zinc/85/10/23/653851023.db2.gz MQQBBTBCNPVTGB-JOYOIKCWSA-N 1 0 380.124 2.483 20 0 GEADRO O=S(=O)(C[C@@H]1CCCOC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000792756808 653852529 /nfs/dbraw/zinc/85/25/29/653852529.db2.gz GFMRZNPKUGCDET-MRXNPFEDSA-N 1 0 376.588 2.084 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895869014 653853666 /nfs/dbraw/zinc/85/36/66/653853666.db2.gz USJBSPHZHATSLI-UHFFFAOYSA-N 1 0 375.254 2.200 20 0 GEADRO C[N@H+](CCNC(=O)c1cnn(C(C)(C)C)c1I)C1CC1 ZINC000895872631 653853924 /nfs/dbraw/zinc/85/39/24/653853924.db2.gz GXOIYTFLKVMJOZ-UHFFFAOYSA-N 1 0 390.269 2.067 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2cccn3c(I)cnc23)no1 ZINC000823116630 653854159 /nfs/dbraw/zinc/85/41/59/653854159.db2.gz XNLFNUKGFYFQSK-DTWKUNHWSA-N 1 0 395.204 2.454 20 0 GEADRO NS(=O)(=O)c1ccc(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)s1 ZINC000895908340 653856432 /nfs/dbraw/zinc/85/64/32/653856432.db2.gz IHGGDBKYTXIDIL-DLBZAZTESA-N 1 0 380.535 2.354 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)nc1Br ZINC000792948991 653856468 /nfs/dbraw/zinc/85/64/68/653856468.db2.gz VIQHPHUFTYZTIW-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)nc1Br ZINC000792953499 653856991 /nfs/dbraw/zinc/85/69/91/653856991.db2.gz PWSBGDRSHHIZJT-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000792956569 653857691 /nfs/dbraw/zinc/85/76/91/653857691.db2.gz OQBWGOAQAMCSJZ-UHFFFAOYSA-N 1 0 389.237 2.497 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000895946044 653858216 /nfs/dbraw/zinc/85/82/16/653858216.db2.gz WUEDSOVNUVXMBB-MLGOLLRUSA-N 1 0 395.297 2.377 20 0 GEADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC[C@H]1CC1(Cl)Cl ZINC000823226060 653858865 /nfs/dbraw/zinc/85/88/65/653858865.db2.gz YRJAWMZQFFYWDL-JTQLQIEISA-N 1 0 385.288 2.368 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)nc1Br ZINC000792981633 653859009 /nfs/dbraw/zinc/85/90/09/653859009.db2.gz AESKNMLBPSBGJM-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000895970585 653859376 /nfs/dbraw/zinc/85/93/76/653859376.db2.gz FCSXULANEYHEPN-UHFFFAOYSA-N 1 0 390.269 2.269 20 0 GEADRO Cc1cc([C@H]([NH3+])Cc2nc(C3(S(C)(=O)=O)CCCC3)no2)cc(Cl)n1 ZINC000823259775 653860098 /nfs/dbraw/zinc/86/00/98/653860098.db2.gz QQHNJPDHBCHMBM-GFCCVEGCSA-N 1 0 384.889 2.483 20 0 GEADRO CC[NH2+]CCCNC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884014797 653860453 /nfs/dbraw/zinc/86/04/53/653860453.db2.gz XTHBKJBTPIZKAZ-UHFFFAOYSA-N 1 0 386.681 2.413 20 0 GEADRO CC[C@H](Sc1nc(CC(=O)Nc2ccccc2C[NH2+]C)cs1)C(N)=O ZINC000884013182 653860467 /nfs/dbraw/zinc/86/04/67/653860467.db2.gz DKJWJDXEUMZUOR-AWEZNQCLSA-N 1 0 378.523 2.400 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)[C@@H]2C1 ZINC000823276912 653860664 /nfs/dbraw/zinc/86/06/64/653860664.db2.gz ZQOBXGBBTSIRIX-HZUKXOBISA-N 1 0 392.297 2.428 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[NH2+]1 ZINC000884031069 653860914 /nfs/dbraw/zinc/86/09/14/653860914.db2.gz FRBVHWQKOFKTEX-VIFPVBQESA-N 1 0 384.665 2.117 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000884057821 653861555 /nfs/dbraw/zinc/86/15/55/653861555.db2.gz ROHKBLHSFRMPII-IRXDYDNUSA-N 1 0 380.897 2.308 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000896047279 653862173 /nfs/dbraw/zinc/86/21/73/653862173.db2.gz YSQIJUUVGMHUBS-OAHLLOKOSA-N 1 0 396.260 2.454 20 0 GEADRO O=C1C[C@@H](c2nc(N3CC[NH2+]CC3)no2)CN1c1cc(Cl)cc(Cl)c1 ZINC000823315060 653862325 /nfs/dbraw/zinc/86/23/25/653862325.db2.gz JPFXCTNVXCVKJI-SNVBAGLBSA-N 1 0 382.251 2.307 20 0 GEADRO COc1ccc(CNC(=O)C2C[NH+](C3CCOCC3)C2)cc1Br ZINC000896072087 653862711 /nfs/dbraw/zinc/86/27/11/653862711.db2.gz IRSWKVSPBOVESQ-UHFFFAOYSA-N 1 0 383.286 2.185 20 0 GEADRO [NH3+][C@H](C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC000884086902 653862772 /nfs/dbraw/zinc/86/27/72/653862772.db2.gz LELOIDCUMPTPPU-GJZGRUSLSA-N 1 0 379.258 2.463 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)nc1Br ZINC000793021520 653862977 /nfs/dbraw/zinc/86/29/77/653862977.db2.gz UOKWVUMDWPZKOD-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)OC[C@@]23CC[N@H+](C2)CCC3)ccc1Cl ZINC000845791408 653863586 /nfs/dbraw/zinc/86/35/86/653863586.db2.gz NHKYFZAHKOXSPN-KRWDZBQOSA-N 1 0 386.901 2.233 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884114146 653864288 /nfs/dbraw/zinc/86/42/88/653864288.db2.gz JTLCFKHMTWTSPJ-ZDUSSCGKSA-N 1 0 382.302 2.448 20 0 GEADRO CCC[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000884120259 653864656 /nfs/dbraw/zinc/86/46/56/653864656.db2.gz ICASIJBOQYVRJG-KBPBESRZSA-N 1 0 380.432 2.425 20 0 GEADRO Cc1cc(Br)ccc1OS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867011159 653865256 /nfs/dbraw/zinc/86/52/56/653865256.db2.gz HYFKWLNWSGXHHF-UHFFFAOYSA-N 1 0 391.331 2.104 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884139845 653865574 /nfs/dbraw/zinc/86/55/74/653865574.db2.gz CUGRNRQIWIZHMX-UHFFFAOYSA-N 1 0 376.258 2.209 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C[C@H]1[NH+](C)C ZINC000867025491 653867738 /nfs/dbraw/zinc/86/77/38/653867738.db2.gz OLWOVLYLTZLAPC-MWLCHTKSSA-N 1 0 392.959 2.011 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(Cc2cscn2)CC1)c1ccc(Br)cc1 ZINC000884198995 653867899 /nfs/dbraw/zinc/86/78/99/653867899.db2.gz MGAYNHLSWOSJMS-HNNXBMFYSA-N 1 0 395.326 2.250 20 0 GEADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000793157872 653868424 /nfs/dbraw/zinc/86/84/24/653868424.db2.gz KDQCLOIDNSETTJ-SECBINFHSA-N 1 0 380.164 2.188 20 0 GEADRO COCC1(CNC(=O)COCCc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000884283679 653870581 /nfs/dbraw/zinc/87/05/81/653870581.db2.gz QDMJNTZOGFVDEG-UHFFFAOYSA-N 1 0 399.329 2.141 20 0 GEADRO CC[N@H+](CCC1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1)CC1CC1 ZINC000867051690 653871344 /nfs/dbraw/zinc/87/13/44/653871344.db2.gz YLFQGFKEDZAIKX-UHFFFAOYSA-N 1 0 391.603 2.327 20 0 GEADRO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCn2c(Br)cnc2C1 ZINC000884325043 653872400 /nfs/dbraw/zinc/87/24/00/653872400.db2.gz HPMNJBGPDYRIKP-CYBMUJFWSA-N 1 0 388.269 2.039 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(Br)cc1 ZINC000884335380 653873051 /nfs/dbraw/zinc/87/30/51/653873051.db2.gz QWDAMXSEFDSELE-CWRNSKLLSA-N 1 0 397.313 2.133 20 0 GEADRO CN(CC[NH3+])C(=O)c1csc(I)c1Br ZINC000884341581 653873081 /nfs/dbraw/zinc/87/30/81/653873081.db2.gz APPCSSRCTLOLPF-UHFFFAOYSA-N 1 0 389.056 2.146 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(Br)cc1 ZINC000884335381 653873099 /nfs/dbraw/zinc/87/30/99/653873099.db2.gz QWDAMXSEFDSELE-KBMXLJTQSA-N 1 0 397.313 2.133 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2nn3c(c2Br)CCC3)C[C@H]1c1cccc(F)c1 ZINC000884342805 653873501 /nfs/dbraw/zinc/87/35/01/653873501.db2.gz KTBCSDHQHCOFQI-QWHCGFSZSA-N 1 0 393.260 2.298 20 0 GEADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1nn2c(c1Br)CCC2 ZINC000884374681 653874501 /nfs/dbraw/zinc/87/45/01/653874501.db2.gz YRZMMPDNNCUUQH-AWEZNQCLSA-N 1 0 375.270 2.290 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2nn3c(c2Br)CCC3)C1 ZINC000884388255 653875110 /nfs/dbraw/zinc/87/51/10/653875110.db2.gz QKLXMUVCGXINOS-YRGRVCCFSA-N 1 0 397.317 2.093 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2ccc(OC(F)F)c(Br)c2)C[C@H]1C[NH3+] ZINC000884386064 653875170 /nfs/dbraw/zinc/87/51/70/653875170.db2.gz DPXJZBPRUNQAID-ZWNOBZJWSA-N 1 0 393.228 2.486 20 0 GEADRO C[C@H](NS(=O)(=O)c1nc[nH]c1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000867077409 653875850 /nfs/dbraw/zinc/87/58/50/653875850.db2.gz QJRUIRJHFRCFIF-WDEREUQCSA-N 1 0 391.335 2.104 20 0 GEADRO COc1cc(Br)cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000823674532 653876403 /nfs/dbraw/zinc/87/64/03/653876403.db2.gz XYOKJENJRIDDBN-UHFFFAOYSA-N 1 0 383.286 2.395 20 0 GEADRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1nn2c(c1Br)CCC2 ZINC000884432443 653876498 /nfs/dbraw/zinc/87/64/98/653876498.db2.gz FAILJDRTEFUCAP-QWHCGFSZSA-N 1 0 375.270 2.077 20 0 GEADRO Brc1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(N2CCOCC2)c1 ZINC000896387790 653876988 /nfs/dbraw/zinc/87/69/88/653876988.db2.gz VTYUWTBBWAILBS-OAHLLOKOSA-N 1 0 397.313 2.481 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1nc(C(F)(F)F)no1 ZINC000896392279 653877117 /nfs/dbraw/zinc/87/71/17/653877117.db2.gz PTVROUKIERUIPS-UHFFFAOYSA-N 1 0 377.392 2.423 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884469885 653877845 /nfs/dbraw/zinc/87/78/45/653877845.db2.gz YUCZBJIMJJCAMF-KYZUINATSA-N 1 0 384.665 2.150 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000823750398 653878447 /nfs/dbraw/zinc/87/84/47/653878447.db2.gz 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CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885276927 653922108 /nfs/dbraw/zinc/92/21/08/653922108.db2.gz VWURDXUWRUTYFD-SNVBAGLBSA-N 1 0 394.249 2.313 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)N(C)C[C@H](O)c2ccccc2Br)C1 ZINC000897460850 653923099 /nfs/dbraw/zinc/92/30/99/653923099.db2.gz KAYIEQQZBYZIOK-CJNGLKHVSA-N 1 0 384.318 2.466 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000847404580 653927481 /nfs/dbraw/zinc/92/74/81/653927481.db2.gz HSNQSDSXOOHZMU-GFCCVEGCSA-N 1 0 378.416 2.442 20 0 GEADRO O=C(c1csc(I)n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000825555754 653933343 /nfs/dbraw/zinc/93/33/43/653933343.db2.gz KFQKJOOWVGFZRN-SECBINFHSA-N 1 0 377.251 2.058 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2ccc(Br)cn2)C1 ZINC000897691603 653933446 /nfs/dbraw/zinc/93/34/46/653933446.db2.gz DLRSMVFJWIRYME-MRXNPFEDSA-N 1 0 386.290 2.306 20 0 GEADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc(=O)n(C)cc1Br ZINC000825586824 653934679 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C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000825972885 653944884 /nfs/dbraw/zinc/94/48/84/653944884.db2.gz FZEOIVYTLAVBET-WMLDXEAASA-N 1 0 386.323 2.265 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000897961315 653946029 /nfs/dbraw/zinc/94/60/29/653946029.db2.gz OGJMDRRZQVRLIN-WBMJQRKESA-N 1 0 395.297 2.379 20 0 GEADRO C[N@@H+]1CC[C@@H](CCOC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000847824794 653946374 /nfs/dbraw/zinc/94/63/74/653946374.db2.gz NJQPHPHYLGKQKK-ZDUSSCGKSA-N 1 0 386.901 2.379 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC[C@H]2CC[N@@H+](C)C2)s1 ZINC000847823218 653946380 /nfs/dbraw/zinc/94/63/80/653946380.db2.gz DLXMPLDOYDGSBV-HUUCEWRRSA-N 1 0 386.539 2.095 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)[C@@H]1SC ZINC000897978522 653947563 /nfs/dbraw/zinc/94/75/63/653947563.db2.gz PDWBHWMPQBNQNI-LOWDOPEQSA-N 1 0 386.315 2.206 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000867539086 653948525 /nfs/dbraw/zinc/94/85/25/653948525.db2.gz GEZQRIJMNXARKB-VOIUYBSRSA-N 1 0 385.555 2.100 20 0 GEADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ncc(Br)cc1O ZINC000897990315 653948848 /nfs/dbraw/zinc/94/88/48/653948848.db2.gz PSDSOZWXYSYICE-JTQLQIEISA-N 1 0 381.230 2.158 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000898036386 653950962 /nfs/dbraw/zinc/95/09/62/653950962.db2.gz CUCMYLFUILYZMC-FZMZJTMJSA-N 1 0 380.286 2.475 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)c1csc(I)n1 ZINC000826539428 653952787 /nfs/dbraw/zinc/95/27/87/653952787.db2.gz TUZYXZDTVPVZHW-UHFFFAOYSA-N 1 0 381.283 2.408 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)ncc1Cl ZINC000848025069 653955392 /nfs/dbraw/zinc/95/53/92/653955392.db2.gz NDDFXZBIADQPGE-SNVBAGLBSA-N 1 0 378.698 2.320 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(c2ccc(I)cn2)C[C@@H]1C ZINC000826632637 653955478 /nfs/dbraw/zinc/95/54/78/653955478.db2.gz JTFCJNADBOBNGJ-TXEJJXNPSA-N 1 0 375.254 2.232 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2Br)C1 ZINC000826661856 653956190 /nfs/dbraw/zinc/95/61/90/653956190.db2.gz DYMHKKGMKTXRAV-GFCCVEGCSA-N 1 0 387.322 2.241 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000826662726 653956525 /nfs/dbraw/zinc/95/65/25/653956525.db2.gz NNBMHWUKEBQMPE-LBPRGKRZSA-N 1 0 392.244 2.366 20 0 GEADRO C[C@](CO)([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 ZINC000898168897 653956902 /nfs/dbraw/zinc/95/69/02/653956902.db2.gz SZBBXCSEDFYQLS-MRXNPFEDSA-N 1 0 399.310 2.094 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccnc(Cl)c2I)C1 ZINC000826721061 653958682 /nfs/dbraw/zinc/95/86/82/653958682.db2.gz ANESWWLPVIBEBX-VIFPVBQESA-N 1 0 393.656 2.411 20 0 GEADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000867601351 653959480 /nfs/dbraw/zinc/95/94/80/653959480.db2.gz WBOGQTXVTJMXMT-UHFFFAOYSA-N 1 0 388.331 2.483 20 0 GEADRO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1Br ZINC000885857361 653960041 /nfs/dbraw/zinc/96/00/41/653960041.db2.gz BPQMGLWEZYWLQZ-AWEZNQCLSA-N 1 0 383.286 2.441 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1sc(N2CCCC2)nc1Cl ZINC000885865676 653960431 /nfs/dbraw/zinc/96/04/31/653960431.db2.gz KUPPGOZPYVPUHT-ZDUSSCGKSA-N 1 0 384.933 2.380 20 0 GEADRO COc1ccc(Br)c(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000885875215 653960796 /nfs/dbraw/zinc/96/07/96/653960796.db2.gz GIBOETBXOBBEBH-HNNXBMFYSA-N 1 0 397.313 2.370 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000898263854 653961008 /nfs/dbraw/zinc/96/10/08/653961008.db2.gz OABHAYCPGOEETR-UHFFFAOYSA-N 1 0 379.258 2.424 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C1(c2cncc(Br)c2)CC1 ZINC000885882229 653961677 /nfs/dbraw/zinc/96/16/77/653961677.db2.gz GBRUUWLBSQVVBT-INIZCTEOSA-N 1 0 394.313 2.245 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c[nH]c2ncc(Br)cc12 ZINC000885883240 653961713 /nfs/dbraw/zinc/96/17/13/653961713.db2.gz PRBUUGBSHAWOLE-ZDUSSCGKSA-N 1 0 393.285 2.309 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2nc(F)ccc2Br)CC1 ZINC000848211244 653964628 /nfs/dbraw/zinc/96/46/28/653964628.db2.gz HZLHBRCHYKVSEH-UHFFFAOYSA-N 1 0 387.297 2.129 20 0 GEADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cn3)C2)c1Cl ZINC000898364220 653965042 /nfs/dbraw/zinc/96/50/42/653965042.db2.gz IQUWTIZLUUPBOI-LLVKDONJSA-N 1 0 384.665 2.362 20 0 GEADRO CCC1([NH+](C)C)CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000867632977 653965514 /nfs/dbraw/zinc/96/55/14/653965514.db2.gz ZAMQZJAAFLJFAV-DEOSSOPVSA-N 1 0 391.534 2.333 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccccc1OCC(F)F)CCO2 ZINC000886057817 653965955 /nfs/dbraw/zinc/96/59/55/653965955.db2.gz XXAHNXCIHHQLQT-YOEHRIQHSA-N 1 0 375.437 2.156 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)NCc1ncc(Br)cn1)c1ccc(F)cc1 ZINC000898385730 653966575 /nfs/dbraw/zinc/96/65/75/653966575.db2.gz OFLYZCHZRLWWMP-CQSZACIVSA-N 1 0 396.264 2.480 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795828163 653968757 /nfs/dbraw/zinc/96/87/57/653968757.db2.gz FYAAMVJQJULXKI-NSHDSACASA-N 1 0 392.880 2.418 20 0 GEADRO CC(C)O[C@@]1(CS(=O)(=O)NCCC2CC[NH+](C(C)C)CC2)CCOC1 ZINC000867652808 653968993 /nfs/dbraw/zinc/96/89/93/653968993.db2.gz WKNHMFABPNHNLX-SFHVURJKSA-N 1 0 376.563 2.000 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(F)cc1Cl ZINC000795830433 653969043 /nfs/dbraw/zinc/96/90/43/653969043.db2.gz XQMUQNCVYOFJTQ-NSHDSACASA-N 1 0 390.864 2.028 20 0 GEADRO Cn1nc(I)cc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000867662358 653970131 /nfs/dbraw/zinc/97/01/31/653970131.db2.gz STMNDOPSERUQTA-UHFFFAOYSA-N 1 0 398.248 2.381 20 0 GEADRO C[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CN1C(=O)OC(C)(C)C ZINC000827044396 653971873 /nfs/dbraw/zinc/97/18/73/653971873.db2.gz MFIQFNDKKGGLJU-RYUDHWBXSA-N 1 0 388.452 2.341 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1Cl ZINC000795860398 653972422 /nfs/dbraw/zinc/97/24/22/653972422.db2.gz FNLGNZCGRNYGGW-UWVGGRQHSA-N 1 0 378.853 2.027 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2c[nH]nc2Br)[C@H](c2cnn(C)c2)C1 ZINC000898479928 653972457 /nfs/dbraw/zinc/97/24/57/653972457.db2.gz KUHPCGVFEYCOCD-OLZOCXBDSA-N 1 0 395.305 2.358 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1nc(C)sc1C)CCS2(=O)=O ZINC000898487310 653973060 /nfs/dbraw/zinc/97/30/60/653973060.db2.gz BWTZYURKUIYMRF-ADRNRKGPSA-N 1 0 386.539 2.310 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)C)C1)CCS2(=O)=O ZINC000898487965 653973220 /nfs/dbraw/zinc/97/32/20/653973220.db2.gz PYYQWDULNYCEBF-WCCAFZKYSA-N 1 0 375.556 2.005 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H]1CS[C@H](C(C)C)C1)CCS2(=O)=O ZINC000898487962 653973223 /nfs/dbraw/zinc/97/32/23/653973223.db2.gz PYYQWDULNYCEBF-CLPSQLOGSA-N 1 0 375.556 2.005 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)C1CCSCC1)CCS2(=O)=O ZINC000898489605 653973551 /nfs/dbraw/zinc/97/35/51/653973551.db2.gz YOTCKIUVZVJKON-RDAFDQFTSA-N 1 0 375.556 2.007 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C1CCC(CSC)CC1)CCS2(=O)=O ZINC000898489619 653973757 /nfs/dbraw/zinc/97/37/57/653973757.db2.gz YPTMIADCAYLENR-QFQXCOSMSA-N 1 0 389.583 2.397 20 0 GEADRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc(Br)c1OC(F)F ZINC000886243472 653973966 /nfs/dbraw/zinc/97/39/66/653973966.db2.gz ZYJYFJONGRRDLT-UIKWRGBMSA-N 1 0 382.201 2.033 20 0 GEADRO C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1ccc(Br)s1 ZINC000886282866 653975535 /nfs/dbraw/zinc/97/55/35/653975535.db2.gz YGAXNMWPWCFSQE-VIFPVBQESA-N 1 0 382.287 2.145 20 0 GEADRO Cc1sc(=O)n(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1-c1ccc(F)cc1 ZINC000848439540 653976145 /nfs/dbraw/zinc/97/61/45/653976145.db2.gz WCFTWGOIDCTMLH-NSHDSACASA-N 1 0 377.363 2.030 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCc2cc(F)c(Br)cc2C1 ZINC000886287867 653976687 /nfs/dbraw/zinc/97/66/87/653976687.db2.gz CTDFJVUPGBNEBJ-GFCCVEGCSA-N 1 0 385.277 2.441 20 0 GEADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000886294646 653977499 /nfs/dbraw/zinc/97/74/99/653977499.db2.gz DANMDJHVBVQVAL-MFKMUULPSA-N 1 0 390.299 2.133 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1C ZINC000886294732 653977538 /nfs/dbraw/zinc/97/75/38/653977538.db2.gz MIORSOOYAPHEFR-BZNIZROVSA-N 1 0 398.326 2.466 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886291201 653977552 /nfs/dbraw/zinc/97/75/52/653977552.db2.gz ZRUCDELXCAMNHM-KBPBESRZSA-N 1 0 387.933 2.253 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898600566 653977892 /nfs/dbraw/zinc/97/78/92/653977892.db2.gz AEIFZPGZRJZMRT-UHFFFAOYSA-N 1 0 385.249 2.253 20 0 GEADRO CC(C)n1ncc2cc(C[NH2+]CC3(S(=O)(=O)N(C)C)CC3)c(Cl)nc21 ZINC000886322051 653978580 /nfs/dbraw/zinc/97/85/80/653978580.db2.gz KAHACSXODDMIQL-UHFFFAOYSA-N 1 0 385.921 2.179 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC([NH+]2CCCC2)C1 ZINC000898614070 653978585 /nfs/dbraw/zinc/97/85/85/653978585.db2.gz BXLMTCPOUDIVAN-UHFFFAOYSA-N 1 0 376.507 2.306 20 0 GEADRO O=C1NCCN1CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000886323734 653978927 /nfs/dbraw/zinc/97/89/27/653978927.db2.gz HXNIXEUICMMTOB-UHFFFAOYSA-N 1 0 381.318 2.028 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000898719938 653981988 /nfs/dbraw/zinc/98/19/88/653981988.db2.gz IHYOGLHSPQVDEL-GFCCVEGCSA-N 1 0 384.299 2.154 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)CC[C@H]21 ZINC000827233986 653982100 /nfs/dbraw/zinc/98/21/00/653982100.db2.gz VFJKXRKGOCGELD-SMDDNHRTSA-N 1 0 381.270 2.387 20 0 GEADRO COc1cc2c(cc1C[NH2+][C@@H]1CCc3ncc(Br)n3C1)OCO2 ZINC000898722949 653982260 /nfs/dbraw/zinc/98/22/60/653982260.db2.gz AQEDYNSFGWOIBL-LLVKDONJSA-N 1 0 380.242 2.488 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827234147 653982483 /nfs/dbraw/zinc/98/24/83/653982483.db2.gz WZMKHCKFZJUOGP-IAQYHMDHSA-N 1 0 399.276 2.499 20 0 GEADRO Cc1cc(C)n2c(C[NH2+][C@H]3CCc4ncc(Br)n4C3)cnc2n1 ZINC000898726047 653982958 /nfs/dbraw/zinc/98/29/58/653982958.db2.gz WKLZIFRDBJMECU-LBPRGKRZSA-N 1 0 375.274 2.410 20 0 GEADRO Cc1cc(C)n2c(C[NH2+][C@@H]3CCc4ncc(Br)n4C3)cnc2n1 ZINC000898726046 653983081 /nfs/dbraw/zinc/98/30/81/653983081.db2.gz WKLZIFRDBJMECU-GFCCVEGCSA-N 1 0 375.274 2.410 20 0 GEADRO Ic1cnnn1C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000827283448 653984481 /nfs/dbraw/zinc/98/44/81/653984481.db2.gz PQMSQSKKXLDBKR-JTQLQIEISA-N 1 0 378.283 2.273 20 0 GEADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000796094240 653985626 /nfs/dbraw/zinc/98/56/26/653985626.db2.gz PXWFABHHLKJJRY-UHFFFAOYSA-N 1 0 389.905 2.018 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cn2ccccc2n1 ZINC000848533581 653986826 /nfs/dbraw/zinc/98/68/26/653986826.db2.gz SRMXSNNOLKPOBK-NSHDSACASA-N 1 0 376.404 2.299 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000848567483 653987732 /nfs/dbraw/zinc/98/77/32/653987732.db2.gz WOQGMIAPDMXIJM-SWLSCSKDSA-N 1 0 382.917 2.320 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CN(C4CC4)C(=O)O3)cnc12 ZINC000848577430 653988094 /nfs/dbraw/zinc/98/80/94/653988094.db2.gz MKWMRXSUXDNNBQ-AWEZNQCLSA-N 1 0 379.258 2.478 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COc1ccc(NC(=[NH2+])NCc2cccc(CS(N)(=O)=O)c2)cc1Cl ZINC000849066668 654003593 /nfs/dbraw/zinc/00/35/93/654003593.db2.gz METRFPJZBFPHIX-UHFFFAOYSA-N 1 0 382.873 2.274 20 0 GEADRO CCS(=O)(=O)N1CCC(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CC1 ZINC000849082133 654003870 /nfs/dbraw/zinc/00/38/70/654003870.db2.gz WIVPMBFPSQFCQM-UHFFFAOYSA-N 1 0 388.921 2.347 20 0 GEADRO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000849112936 654004986 /nfs/dbraw/zinc/00/49/86/654004986.db2.gz JYAQQMRYVXQWRR-OAHLLOKOSA-N 1 0 386.949 2.102 20 0 GEADRO Cc1cc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)ccc1Br ZINC000849116239 654005254 /nfs/dbraw/zinc/00/52/54/654005254.db2.gz MBTHAUZWGQVRQS-UHFFFAOYSA-N 1 0 389.301 2.394 20 0 GEADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000886891934 654007255 /nfs/dbraw/zinc/00/72/55/654007255.db2.gz LHYUKABMTWKXJL-JSGCOSHPSA-N 1 0 376.906 2.126 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCCC1N=NC(=S)N1C1CC1)c1cccs1 ZINC000849225901 654008258 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COC(=O)N1CCC([C@@H](C)NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000867975784 654012563 /nfs/dbraw/zinc/01/25/63/654012563.db2.gz QSSXQJAIAOOGMS-IAQYHMDHSA-N 1 0 398.301 2.432 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000867980745 654012848 /nfs/dbraw/zinc/01/28/48/654012848.db2.gz XYBYRRCBOJUIKK-NWDGAFQWSA-N 1 0 396.207 2.022 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000849327000 654013059 /nfs/dbraw/zinc/01/30/59/654013059.db2.gz HMTKFPQNQQWFTH-AWEZNQCLSA-N 1 0 381.416 2.423 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])c1cccc(Br)c1 ZINC000867985367 654013046 /nfs/dbraw/zinc/01/30/46/654013046.db2.gz BRTATGRIRWBENI-XFBWCDHKSA-N 1 0 382.302 2.212 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988942 654013475 /nfs/dbraw/zinc/01/34/75/654013475.db2.gz XTHGYXKOHIJJCI-HNNXBMFYSA-N 1 0 379.507 2.437 20 0 GEADRO Cc1c(C(=O)N[C@H](C)C2CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000868003797 654013704 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GEADRO C[NH+](C)CC[C@H](NC(=O)c1cc(S(C)(=O)=O)ncc1Cl)C(C)(C)C ZINC000827998832 654015493 /nfs/dbraw/zinc/01/54/93/654015493.db2.gz QEDACJNBEGKXBR-ZDUSSCGKSA-N 1 0 375.922 2.235 20 0 GEADRO CCOC(=O)N1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000828004270 654015545 /nfs/dbraw/zinc/01/55/45/654015545.db2.gz TTYOSRPYTXOHFN-QGZVFWFLSA-N 1 0 398.301 2.314 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887037297 654016240 /nfs/dbraw/zinc/01/62/40/654016240.db2.gz YPIJIMZXQJKTNA-QGZVFWFLSA-N 1 0 380.286 2.380 20 0 GEADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000797097032 654018434 /nfs/dbraw/zinc/01/84/34/654018434.db2.gz SVTHLACHXFABMJ-QLFBSQMISA-N 1 0 377.551 2.082 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868148718 654020765 /nfs/dbraw/zinc/02/07/65/654020765.db2.gz YMSSQAMBGHKXFT-TZMCWYRMSA-N 1 0 391.273 2.388 20 0 GEADRO Cn1nc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1Br ZINC000828080717 654021344 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CC[C@@](C)([NH3+])c1cn(Cc2cc(OC)c(C(=O)OC)cc2Br)nn1 ZINC000900596049 654072038 /nfs/dbraw/zinc/07/20/38/654072038.db2.gz ZNBRXRLCLSBOHB-MRXNPFEDSA-N 1 0 397.273 2.468 20 0 GEADRO CC[C@@H](COCC1CC1)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000850349181 654072184 /nfs/dbraw/zinc/07/21/84/654072184.db2.gz DNTSTYKEJPLYOT-LSDHHAIUSA-N 1 0 389.949 2.499 20 0 GEADRO COc1ccc(-c2n[nH]cc2C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850363578 654072994 /nfs/dbraw/zinc/07/29/94/654072994.db2.gz ASEWVTHAFNPVAM-UHFFFAOYSA-N 1 0 377.388 2.152 20 0 GEADRO O=C(c1cc2ncc(Br)cn2n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000900617727 654073034 /nfs/dbraw/zinc/07/30/34/654073034.db2.gz CXSGDOKFYYZYOP-CYBMUJFWSA-N 1 0 378.274 2.192 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(C)(C)Cc1ccc(Br)cc1 ZINC000900661232 654074927 /nfs/dbraw/zinc/07/49/27/654074927.db2.gz YZKYCAVAXIIEEU-MRXNPFEDSA-N 1 0 382.346 2.380 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)s1 ZINC000850414706 654076029 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O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cnn2cccc(Br)c12 ZINC000830021120 654093302 /nfs/dbraw/zinc/09/33/02/654093302.db2.gz GXWZJBROJAIBHD-ZIAGYGMSSA-N 1 0 395.326 2.406 20 0 GEADRO O=C(CN1CSCCSC1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000900958345 654099112 /nfs/dbraw/zinc/09/91/12/654099112.db2.gz OCZGPKGJWGYQGH-UHFFFAOYSA-N 1 0 381.567 2.279 20 0 GEADRO C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)Oc1ccccc1Br ZINC000900955248 654099300 /nfs/dbraw/zinc/09/93/00/654099300.db2.gz OGEASTBSMNMQAV-GUYCJALGSA-N 1 0 385.302 2.179 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1 ZINC000888781549 654103533 /nfs/dbraw/zinc/10/35/33/654103533.db2.gz IYIUXDAOXSDAKV-UHFFFAOYSA-N 1 0 382.921 2.492 20 0 GEADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850754113 654104936 /nfs/dbraw/zinc/10/49/36/654104936.db2.gz JISMQEOWJLOTCV-RKDXNWHRSA-N 1 0 384.893 2.432 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)c1nn2c(c1Br)CCC2 ZINC000888819853 654106166 /nfs/dbraw/zinc/10/61/66/654106166.db2.gz JFEBHIJEOUZZTI-UHFFFAOYSA-N 1 0 387.322 2.022 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000850829030 654108421 /nfs/dbraw/zinc/10/84/21/654108421.db2.gz AVBUJAZBKKUCBX-ZDUSSCGKSA-N 1 0 395.301 2.021 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000850833137 654108841 /nfs/dbraw/zinc/10/88/41/654108841.db2.gz OQACFIAMOUFJPK-UHFFFAOYSA-N 1 0 384.933 2.027 20 0 GEADRO CC(C)[NH+]1CCN(CCCC(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000901111505 654109575 /nfs/dbraw/zinc/10/95/75/654109575.db2.gz QKVYSYMONLZERI-UHFFFAOYSA-N 1 0 379.452 2.388 20 0 GEADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000830389142 654114368 /nfs/dbraw/zinc/11/43/68/654114368.db2.gz ZENHFSLBGUWTKL-UHFFFAOYSA-N 1 0 382.711 2.214 20 0 GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000799813415 654114523 /nfs/dbraw/zinc/11/45/23/654114523.db2.gz AIFATAUPWKPPLZ-AWEZNQCLSA-N 1 0 377.551 2.036 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000901211393 654115357 /nfs/dbraw/zinc/11/53/57/654115357.db2.gz KVWCQXREIYHSPP-KRWDZBQOSA-N 1 0 393.285 2.420 20 0 GEADRO CN1CCN(C(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC[N@H+](C)CC1 ZINC000888977489 654117589 /nfs/dbraw/zinc/11/75/89/654117589.db2.gz CQLHYVFNGJVSJW-PKOBYXMFSA-N 1 0 394.357 2.433 20 0 GEADRO CN1CCN(C(=O)C2(c3ccccc3Br)CC2)CC[N@H+](C)CC1 ZINC000888986536 654118479 /nfs/dbraw/zinc/11/84/79/654118479.db2.gz KOXKOJDHPRDIRU-UHFFFAOYSA-N 1 0 380.330 2.187 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cn(-c2ccccc2Br)nn1 ZINC000917293417 654118986 /nfs/dbraw/zinc/11/89/86/654118986.db2.gz XWOCBUBJMQWLOK-OLZOCXBDSA-N 1 0 390.285 2.386 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901321029 654119622 /nfs/dbraw/zinc/11/96/22/654119622.db2.gz DRATXPXDJILLRR-SIUGBPQLSA-N 1 0 385.302 2.096 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799951524 654122882 /nfs/dbraw/zinc/12/28/82/654122882.db2.gz YKBMDQCQNOHSLC-RLCCDNCMSA-N 1 0 382.302 2.264 20 0 GEADRO O=S(=O)(C[C@@H]1CCCCC1(F)F)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000830529522 654124245 /nfs/dbraw/zinc/12/42/45/654124245.db2.gz KOKFKYLTUBTVCL-HOCLYGCPSA-N 1 0 380.501 2.375 20 0 GEADRO O=S(=O)(C[C@@H]1CCCCC1(F)F)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000830529521 654124288 /nfs/dbraw/zinc/12/42/88/654124288.db2.gz KOKFKYLTUBTVCL-GOEBONIOSA-N 1 0 380.501 2.375 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000869784484 654124249 /nfs/dbraw/zinc/12/42/49/654124249.db2.gz WRJUZOHWXAWTPT-HNNXBMFYSA-N 1 0 381.314 2.442 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000830580523 654128190 /nfs/dbraw/zinc/12/81/90/654128190.db2.gz TXSIWCKZQNQCLP-SUMWQHHRSA-N 1 0 384.293 2.356 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)Br)nc1 ZINC000830589029 654128508 /nfs/dbraw/zinc/12/85/08/654128508.db2.gz QCSIJHRGNCIPLU-GFCCVEGCSA-N 1 0 392.244 2.102 20 0 GEADRO Cc1nc(Br)sc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000830588864 654128595 /nfs/dbraw/zinc/12/85/95/654128595.db2.gz OKIQACNIWDOSHT-NSHDSACASA-N 1 0 376.320 2.181 20 0 GEADRO C[NH+]1CCN(c2ccccc2NC(=O)CCn2cc(Br)cn2)CC1 ZINC000917608161 654128953 /nfs/dbraw/zinc/12/89/53/654128953.db2.gz NXOYNJCAENXAEA-UHFFFAOYSA-N 1 0 392.301 2.426 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)C(=O)NCCC1SCCS1)[NH+]1CCCC1 ZINC000830632580 654130896 /nfs/dbraw/zinc/13/08/96/654130896.db2.gz ITUPAKIQWAEMAM-OAHLLOKOSA-N 1 0 387.615 2.316 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)s1)OCCC[NH+]1CCCC1 ZINC000800142276 654131732 /nfs/dbraw/zinc/13/17/32/654131732.db2.gz QMLZJMSGYGNGMO-UHFFFAOYSA-N 1 0 375.288 2.270 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2c(Br)ccc(OC)c2F)CC1 ZINC000901593004 654132898 /nfs/dbraw/zinc/13/28/98/654132898.db2.gz JBTBURNLJHYGJR-UHFFFAOYSA-N 1 0 395.294 2.359 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(Br)cc1 ZINC000901606785 654134211 /nfs/dbraw/zinc/13/42/11/654134211.db2.gz JDESKSARWBEIBP-GJZGRUSLSA-N 1 0 383.286 2.293 20 0 GEADRO O=C(OCCC[NH+]1CCCC1)c1ccc(-n2cc(Br)cn2)nn1 ZINC000800177466 654135237 /nfs/dbraw/zinc/13/52/37/654135237.db2.gz HJAMHVKUKRWJGG-UHFFFAOYSA-N 1 0 380.246 2.068 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000830687233 654136688 /nfs/dbraw/zinc/13/66/88/654136688.db2.gz BLGKQEVDDKGCNH-RKDXNWHRSA-N 1 0 382.711 2.259 20 0 GEADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)s1 ZINC000800221459 654138336 /nfs/dbraw/zinc/13/83/36/654138336.db2.gz UMVGYNYGVFSMBZ-UHFFFAOYSA-N 1 0 390.531 2.004 20 0 GEADRO CCCCn1nc(C)c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1Cl ZINC000800310099 654140331 /nfs/dbraw/zinc/14/03/31/654140331.db2.gz RUJPLMRDLGPYEH-ZFWWWQNUSA-N 1 0 376.954 2.453 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NCc1cccs1 ZINC000901728895 654144032 /nfs/dbraw/zinc/14/40/32/654144032.db2.gz ORHKBASHVQPQTD-WDEREUQCSA-N 1 0 383.315 2.316 20 0 GEADRO NC(=O)COc1ccc(C[NH2+]CCOc2cccc(Br)c2)cc1 ZINC000918197005 654145439 /nfs/dbraw/zinc/14/54/39/654145439.db2.gz HNGHOIBVDITCSJ-UHFFFAOYSA-N 1 0 379.254 2.482 20 0 GEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCSC(F)(F)F ZINC000918281284 654147058 /nfs/dbraw/zinc/14/70/58/654147058.db2.gz GYCYCIUENXXCFH-UHFFFAOYSA-N 1 0 379.404 2.065 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000918368445 654149606 /nfs/dbraw/zinc/14/96/06/654149606.db2.gz JQDFNNCOHVXPAL-IRXDYDNUSA-N 1 0 386.901 2.089 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1Cl ZINC000918370562 654150274 /nfs/dbraw/zinc/15/02/74/654150274.db2.gz XVOWKINELFQTHP-IRXDYDNUSA-N 1 0 388.917 2.320 20 0 GEADRO C[C@@H]1CN(C(=O)CONC(=[NH2+])COc2ccc(Cl)cc2Cl)CCO1 ZINC000918734140 654160155 /nfs/dbraw/zinc/16/01/55/654160155.db2.gz WGCHPYUPDUWWIY-SNVBAGLBSA-N 1 0 376.240 2.118 20 0 GEADRO O=S(=O)(c1occc1Br)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000918905434 654165169 /nfs/dbraw/zinc/16/51/69/654165169.db2.gz DPVCOHQFHIWTEF-UHFFFAOYSA-N 1 0 386.271 2.338 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000918947943 654166118 /nfs/dbraw/zinc/16/61/18/654166118.db2.gz UPSKBOKOESRKKT-HNNXBMFYSA-N 1 0 398.859 2.019 20 0 GEADRO COCC1(CNC(=O)c2ccc(C(F)(F)Br)nc2)CC[NH2+]CC1 ZINC000851636182 654166817 /nfs/dbraw/zinc/16/68/17/654166817.db2.gz PGCNMKBHDKTRIJ-UHFFFAOYSA-N 1 0 392.244 2.272 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851662818 654168526 /nfs/dbraw/zinc/16/85/26/654168526.db2.gz KQBMFYUDBVFVHO-NGZCFLSTSA-N 1 0 383.128 2.261 20 0 GEADRO C[C@]12CCN(C(=O)NC[C@@H]([NH3+])C3CC3)C[C@H]1C2(Br)Br ZINC000851662644 654168080 /nfs/dbraw/zinc/16/80/80/654168080.db2.gz GLAZCOQTZVBBFT-FOGDFJRCSA-N 1 0 395.139 2.261 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000851668685 654168451 /nfs/dbraw/zinc/16/84/51/654168451.db2.gz IGDXTIWFDSJHMQ-CYBMUJFWSA-N 1 0 393.359 2.250 20 0 GEADRO C[C@]12CCN(C(=O)N[C@H]3CCC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000851663166 654168543 /nfs/dbraw/zinc/16/85/43/654168543.db2.gz VAAOCJSQUSEQJF-UMNHJUIQSA-N 1 0 395.139 2.276 20 0 GEADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CCn2ncc(Br)c2C1 ZINC000851668484 654168657 /nfs/dbraw/zinc/16/86/57/654168657.db2.gz UBDUMHYLGHAKDC-OAHLLOKOSA-N 1 0 390.285 2.058 20 0 GEADRO C[C@]12CCN(C(=O)NC[C@@H]3CCC[NH2+]3)C[C@H]1C2(Br)Br ZINC000851665734 654168686 /nfs/dbraw/zinc/16/86/86/654168686.db2.gz XXQZPEIDSGRVGB-UMNHJUIQSA-N 1 0 395.139 2.276 20 0 GEADRO COc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)sc1Br ZINC000889764967 654169973 /nfs/dbraw/zinc/16/99/73/654169973.db2.gz UZTSGHMBFHLGIZ-GHMZBOCLSA-N 1 0 389.315 2.190 20 0 GEADRO O=C(c1cc(F)c(F)cc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761762 654170048 /nfs/dbraw/zinc/17/00/48/654170048.db2.gz HKBQEDOYMIMWPL-GJZGRUSLSA-N 1 0 389.240 2.399 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000851715718 654171660 /nfs/dbraw/zinc/17/16/60/654171660.db2.gz BQSMOYYTVPJGOD-OAHLLOKOSA-N 1 0 377.447 2.154 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000889783565 654172306 /nfs/dbraw/zinc/17/23/06/654172306.db2.gz YTRGBTYKQRPYPH-CVEARBPZSA-N 1 0 383.286 2.129 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000851736407 654173196 /nfs/dbraw/zinc/17/31/96/654173196.db2.gz KKSDLIUONNLCNV-NXOAAHMSSA-N 1 0 378.450 2.145 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000851736550 654173437 /nfs/dbraw/zinc/17/34/37/654173437.db2.gz LNMLXXPUNIHHGI-HNNXBMFYSA-N 1 0 377.809 2.442 20 0 GEADRO COC(=O)[C@H](C)C[N@H+](CCn1cnc(Br)n1)Cc1ccccc1 ZINC000851747170 654174196 /nfs/dbraw/zinc/17/41/96/654174196.db2.gz ROQFTKMWKVKTIZ-CYBMUJFWSA-N 1 0 381.274 2.352 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2ncc(CC)s2)CC1 ZINC000851785732 654177379 /nfs/dbraw/zinc/17/73/79/654177379.db2.gz RTVRTRNYXQEYML-CQSZACIVSA-N 1 0 377.447 2.412 20 0 GEADRO CN(CCn1cnc(Br)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000851793491 654178572 /nfs/dbraw/zinc/17/85/72/654178572.db2.gz WLHMVRUJAZRNCQ-MRXNPFEDSA-N 1 0 378.318 2.495 20 0 GEADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cc(OC)ccc2Br)C1 ZINC000851820676 654183136 /nfs/dbraw/zinc/18/31/36/654183136.db2.gz FIEUPLXWKFGDPK-ZDUSSCGKSA-N 1 0 391.331 2.361 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cn1ncc2c1cccc2Br ZINC000902642834 654190053 /nfs/dbraw/zinc/19/00/53/654190053.db2.gz JBJLMNJMLZNTII-IRXDYDNUSA-N 1 0 379.302 2.287 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000851866181 654195003 /nfs/dbraw/zinc/19/50/03/654195003.db2.gz JAPSPPWVVQNCPS-CQSZACIVSA-N 1 0 377.447 2.466 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(Cc2ccncc2)CC1)c1cccc(Br)c1 ZINC000870857929 654200516 /nfs/dbraw/zinc/20/05/16/654200516.db2.gz GDMDJBBAWMLELI-KRWDZBQOSA-N 1 0 389.297 2.188 20 0 GEADRO CCO[C@H](CNC(=O)c1cc2ccc(Br)cc2c(=O)o1)C[NH+](C)C ZINC000831696122 654200624 /nfs/dbraw/zinc/20/06/24/654200624.db2.gz QWBBYRQGIBQBNC-CYBMUJFWSA-N 1 0 397.269 2.252 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(CC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000870859689 654200669 /nfs/dbraw/zinc/20/06/69/654200669.db2.gz YKRGWQPBZBNIDT-GFCCVEGCSA-N 1 0 380.208 2.155 20 0 GEADRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCCN(CC(F)(F)F)CC1 ZINC000870864633 654201032 /nfs/dbraw/zinc/20/10/32/654201032.db2.gz HYWRQNKUNBIVLB-UHFFFAOYSA-N 1 0 376.448 2.320 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000870863962 654201112 /nfs/dbraw/zinc/20/11/12/654201112.db2.gz LQGGNFQHRDZYFW-WBHUJUFNSA-N 1 0 382.291 2.405 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000870871139 654201448 /nfs/dbraw/zinc/20/14/48/654201448.db2.gz IRUDZPLVMUYNJZ-VNBZBWLYSA-N 1 0 382.291 2.405 20 0 GEADRO CCO[C@H](CNC(=O)c1cnn(C(C)(C)C)c1Br)C[NH+](C)C ZINC000831708695 654201604 /nfs/dbraw/zinc/20/16/04/654201604.db2.gz UVVNGIUMPATFTJ-LLVKDONJSA-N 1 0 375.311 2.097 20 0 GEADRO O=C(NCCCNC(=O)c1cccs1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870876631 654201978 /nfs/dbraw/zinc/20/19/78/654201978.db2.gz HKYATZHKYIIVFD-UHFFFAOYSA-N 1 0 378.523 2.222 20 0 GEADRO CC(C)C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)C1CCOCC1 ZINC000902886292 654202265 /nfs/dbraw/zinc/20/22/65/654202265.db2.gz MNSKZMPBZXTASE-HOTGVXAUSA-N 1 0 375.556 2.314 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H](N)c2cccc(Br)c2)CC1 ZINC000870884206 654202839 /nfs/dbraw/zinc/20/28/39/654202839.db2.gz PJSBBBYWEXFYAK-INIZCTEOSA-N 1 0 398.345 2.455 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)c1cccc(Br)c1 ZINC000870885815 654202893 /nfs/dbraw/zinc/20/28/93/654202893.db2.gz NJAHBLNXWLMJRQ-ZBFHGGJFSA-N 1 0 394.313 2.310 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)c1cccc(Br)c1 ZINC000870885813 654203035 /nfs/dbraw/zinc/20/30/35/654203035.db2.gz NJAHBLNXWLMJRQ-HOCLYGCPSA-N 1 0 394.313 2.310 20 0 GEADRO CCO[C@@H](CNC(=O)c1cnn(-c2cccc(Br)c2)c1)C[NH+](C)C ZINC000831751526 654206184 /nfs/dbraw/zinc/20/61/84/654206184.db2.gz MGEHSEOZWXRNEX-INIZCTEOSA-N 1 0 395.301 2.331 20 0 GEADRO C[C@H](N1CCN(C(=O)c2csc(C3CC[NH2+]CC3)n2)CC1)C(F)(F)F ZINC000870901098 654206338 /nfs/dbraw/zinc/20/63/38/654206338.db2.gz ORFSRRUYWWMMJJ-NSHDSACASA-N 1 0 376.448 2.319 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000851938471 654206626 /nfs/dbraw/zinc/20/66/26/654206626.db2.gz QKCJPAPHXWEXDX-HOCLYGCPSA-N 1 0 376.390 2.467 20 0 GEADRO O=C(CC[NH2+]CC1CC1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000870908775 654206514 /nfs/dbraw/zinc/20/65/14/654206514.db2.gz XUZGHBWYOFJGHC-UHFFFAOYSA-N 1 0 396.329 2.292 20 0 GEADRO CSCC[C@@H]([NH2+]CCn1cnc(Br)n1)c1nnc2ccccn21 ZINC000851929916 654206737 /nfs/dbraw/zinc/20/67/37/654206737.db2.gz UUHOQLNIZPHDIS-LLVKDONJSA-N 1 0 396.318 2.167 20 0 GEADRO CCc1nn(C)c(Cl)c1C[NH2+][C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000801735013 654207037 /nfs/dbraw/zinc/20/70/37/654207037.db2.gz NLHRAASGXHCQJJ-CYBMUJFWSA-N 1 0 384.933 2.483 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)sc1Cl ZINC000920272975 654207198 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Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920281815 654208464 /nfs/dbraw/zinc/20/84/64/654208464.db2.gz HROYMYIFMKBICV-AHCXZYCDSA-N 1 0 386.945 2.406 20 0 GEADRO CCO[C@@H](CNC(=O)COc1ccc(Br)cc1F)C[NH+](C)C ZINC000831777054 654208522 /nfs/dbraw/zinc/20/85/22/654208522.db2.gz PSCWWECDRWFGKY-LBPRGKRZSA-N 1 0 377.254 2.050 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C2 ZINC000920281452 654208520 /nfs/dbraw/zinc/20/85/20/654208520.db2.gz BKONZMHOVLDFQH-QBPKDAKJSA-N 1 0 390.908 2.237 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)C2 ZINC000920281803 654208655 /nfs/dbraw/zinc/20/86/55/654208655.db2.gz HIBNPTAPJXQBGS-TXCZRRACSA-N 1 0 390.908 2.237 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(I)cc2OC)C1 ZINC000870932914 654208789 /nfs/dbraw/zinc/20/87/89/654208789.db2.gz LECKJUWKASHTPQ-NSHDSACASA-N 1 0 388.249 2.371 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1cccc(Br)c1 ZINC000870936746 654209651 /nfs/dbraw/zinc/20/96/51/654209651.db2.gz OLGKFTKLFNDDBP-PEYYIBSZSA-N 1 0 382.302 2.212 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000870937286 654209657 /nfs/dbraw/zinc/20/96/57/654209657.db2.gz YPFBJFZOKCKMDL-MNOVXSKESA-N 1 0 388.249 2.499 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000851969752 654209807 /nfs/dbraw/zinc/20/98/07/654209807.db2.gz LBLIEUSQRZYKHS-OAHLLOKOSA-N 1 0 375.381 2.317 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000851972765 654209894 /nfs/dbraw/zinc/20/98/94/654209894.db2.gz RZHHQUNGQLDOII-UHFFFAOYSA-N 1 0 384.322 2.291 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1I ZINC000870940626 654210006 /nfs/dbraw/zinc/21/00/06/654210006.db2.gz MHWICIULLQBONE-VHSXEESVSA-N 1 0 376.242 2.068 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000870942256 654210821 /nfs/dbraw/zinc/21/08/21/654210821.db2.gz JLJNIHDSDSXGRX-CZUORRHYSA-N 1 0 382.302 2.214 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)CC[N@@H+]1C ZINC000920404091 654211538 /nfs/dbraw/zinc/21/15/38/654211538.db2.gz LGKFHVZNKJEYRN-WCQYABFASA-N 1 0 382.306 2.400 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)CC[N@@H+]1C ZINC000920404090 654211695 /nfs/dbraw/zinc/21/16/95/654211695.db2.gz LGKFHVZNKJEYRN-DGCLKSJQSA-N 1 0 382.306 2.400 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000870946575 654212716 /nfs/dbraw/zinc/21/27/16/654212716.db2.gz SJOJQHAIBDVXHN-WDEREUQCSA-N 1 0 388.249 2.357 20 0 GEADRO C[C@H]1[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC000903049817 654213565 /nfs/dbraw/zinc/21/35/65/654213565.db2.gz IHEXNKATYGZNKH-RYUDHWBXSA-N 1 0 388.452 2.341 20 0 GEADRO Cn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000890316562 654214842 /nfs/dbraw/zinc/21/48/42/654214842.db2.gz FUONZDGJOBTXLS-AWEZNQCLSA-N 1 0 377.286 2.435 20 0 GEADRO COC(=O)C[C@@](C)([NH2+]CCn1cnc(Br)n1)c1cccc(F)c1 ZINC000852045226 654214989 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C[NH+]1CCN(c2ccc(NS(=O)(=O)C[C@]3(C)CC3(Cl)Cl)nc2)CC1 ZINC000903089973 654215841 /nfs/dbraw/zinc/21/58/41/654215841.db2.gz XXCZSSSOBDFVGV-AWEZNQCLSA-N 1 0 393.340 2.159 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903088254 654215910 /nfs/dbraw/zinc/21/59/10/654215910.db2.gz YOVAVNWJMLNDPC-FZMZJTMJSA-N 1 0 381.416 2.418 20 0 GEADRO [NH3+][C@@H](CC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO)C1CC1 ZINC000831905718 654217376 /nfs/dbraw/zinc/21/73/76/654217376.db2.gz OEACAPHNKYSWNP-AWEZNQCLSA-N 1 0 393.285 2.371 20 0 GEADRO CCn1cnnc1CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903118053 654217530 /nfs/dbraw/zinc/21/75/30/654217530.db2.gz DZMGYJKEKNXICR-NSHDSACASA-N 1 0 376.404 2.485 20 0 GEADRO C[C@@H](CNC(=O)N1CCn2ncc(Br)c2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000852091966 654217694 /nfs/dbraw/zinc/21/76/94/654217694.db2.gz OELQJZJUGMXYJG-STQMWFEESA-N 1 0 384.322 2.291 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cnn(CC2CCC2)c1 ZINC000903127797 654219257 /nfs/dbraw/zinc/21/92/57/654219257.db2.gz LSMWTGKRNPCJLH-CJNGLKHVSA-N 1 0 383.539 2.230 20 0 GEADRO C[C@@](CO)([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000852144103 654220651 /nfs/dbraw/zinc/22/06/51/654220651.db2.gz WHRHUDGXZDACOE-ZWKOTPCHSA-N 1 0 383.275 2.164 20 0 GEADRO C[N@H+](CCn1cnc(Br)n1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000852138783 654220689 /nfs/dbraw/zinc/22/06/89/654220689.db2.gz TYFZINDJNLFCRS-UHFFFAOYSA-N 1 0 388.310 2.420 20 0 GEADRO CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000903153693 654222049 /nfs/dbraw/zinc/22/20/49/654222049.db2.gz HYVQNLVHTWKWBC-LDZOIKDWSA-N 1 0 389.514 2.237 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903168188 654223493 /nfs/dbraw/zinc/22/34/93/654223493.db2.gz UAKRTAJXQCEDOR-YUTCNCBUSA-N 1 0 381.416 2.276 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903168187 654223546 /nfs/dbraw/zinc/22/35/46/654223546.db2.gz UAKRTAJXQCEDOR-UBHSHLNASA-N 1 0 381.416 2.276 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903170868 654223906 /nfs/dbraw/zinc/22/39/06/654223906.db2.gz KMQHIYPNNULBQY-RYUDHWBXSA-N 1 0 399.456 2.456 20 0 GEADRO OC[C@H](C[NH2+][C@@H]1CCO[C@@]12CCOC2)Cc1ccc(F)c(Br)c1 ZINC000903187221 654224805 /nfs/dbraw/zinc/22/48/05/654224805.db2.gz SGPOQWPUKGSXHM-IAOVAPTHSA-N 1 0 388.277 2.277 20 0 GEADRO CCN1C[C@@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1=O ZINC000903194715 654225771 /nfs/dbraw/zinc/22/57/71/654225771.db2.gz QBAVVIIVOQMHAZ-VXGBXAGGSA-N 1 0 378.416 2.499 20 0 GEADRO O=C(NCCC1SCCS1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000852248687 654227977 /nfs/dbraw/zinc/22/79/77/654227977.db2.gz KIGFOEAFFVQSEP-MRXNPFEDSA-N 1 0 381.567 2.249 20 0 GEADRO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903221126 654228084 /nfs/dbraw/zinc/22/80/84/654228084.db2.gz PBOLSUCLTLSBGB-NEPJUHHUSA-N 1 0 378.416 2.499 20 0 GEADRO CC(C)[C@H](CSc1ccccc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903225924 654228455 /nfs/dbraw/zinc/22/84/55/654228455.db2.gz KIWVWWMNQUBLBC-HNNXBMFYSA-N 1 0 378.585 2.450 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)[C@H](C)c1nc2ccccc2s1 ZINC000903229772 654230127 /nfs/dbraw/zinc/23/01/27/654230127.db2.gz OZNCEYDDHVXYAF-NWDGAFQWSA-N 1 0 389.568 2.435 20 0 GEADRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903230326 654230551 /nfs/dbraw/zinc/23/05/51/654230551.db2.gz ZQWLRYOFVCJLJY-NSHDSACASA-N 1 0 386.461 2.283 20 0 GEADRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCn2ncc(Br)c2C1 ZINC000852297161 654230555 /nfs/dbraw/zinc/23/05/55/654230555.db2.gz FWHKVPBGVMNUAV-UHFFFAOYSA-N 1 0 382.306 2.188 20 0 GEADRO C[C@H]([NH2+]CC(C)(C)C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903243660 654231234 /nfs/dbraw/zinc/23/12/34/654231234.db2.gz GTYQDHMDOPETGD-ZDUSSCGKSA-N 1 0 388.555 2.499 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN3CCSC[C@H]23)ccc1S(C)(=O)=O ZINC000903271528 654231969 /nfs/dbraw/zinc/23/19/69/654231969.db2.gz MTUIEHOQTKRENG-NUEKZKHPSA-N 1 0 384.567 2.329 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903269872 654232086 /nfs/dbraw/zinc/23/20/86/654232086.db2.gz AOLKSWSJFDZRAY-QGTPRVQTSA-N 1 0 383.583 2.167 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@]2(CO)COCCN2C)ccc1SC(F)F ZINC000903279137 654232387 /nfs/dbraw/zinc/23/23/87/654232387.db2.gz IOLQGEJAAGSJQT-SJCJKPOMSA-N 1 0 376.469 2.354 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NCc2cc(N(C)C)cc[nH+]2)cc1OC ZINC000921024976 654232734 /nfs/dbraw/zinc/23/27/34/654232734.db2.gz KHSMNIWWQOIRJD-UHFFFAOYSA-N 1 0 385.873 2.297 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000852336748 654233827 /nfs/dbraw/zinc/23/38/27/654233827.db2.gz QPJMINNEEMWEHJ-GRYCIOLGSA-N 1 0 391.323 2.244 20 0 GEADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000852351141 654235000 /nfs/dbraw/zinc/23/50/00/654235000.db2.gz IYRXYEPOBAVBHN-LZWOXQAQSA-N 1 0 377.453 2.339 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2F)CCS(=O)(=O)C1 ZINC000903361761 654235153 /nfs/dbraw/zinc/23/51/53/654235153.db2.gz AUXUDSFSZJIHHE-IINYFYTJSA-N 1 0 380.279 2.443 20 0 GEADRO CO[C@]1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCS(=O)(=O)C1 ZINC000903362639 654235267 /nfs/dbraw/zinc/23/52/67/654235267.db2.gz ILNWIQIRHKERKC-BBRMVZONSA-N 1 0 388.327 2.100 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2F)CCS(=O)(=O)C1 ZINC000903361760 654235317 /nfs/dbraw/zinc/23/53/17/654235317.db2.gz AUXUDSFSZJIHHE-HZMBPMFUSA-N 1 0 380.279 2.443 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CCS(=O)(=O)C1 ZINC000903363316 654235350 /nfs/dbraw/zinc/23/53/50/654235350.db2.gz NTFXYGQZUZAATP-BZSNNMDCSA-N 1 0 387.929 2.223 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)c(Br)c1 ZINC000903365192 654235543 /nfs/dbraw/zinc/23/55/43/654235543.db2.gz JIRHGOQTPNIYOM-XHDPSFHLSA-N 1 0 392.315 2.312 20 0 GEADRO CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)c(F)c2)CCS(=O)(=O)C1 ZINC000903364762 654235828 /nfs/dbraw/zinc/23/58/28/654235828.db2.gz BIZUEDIHPVRHOO-YGRLFVJLSA-N 1 0 380.279 2.443 20 0 GEADRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)CCS(=O)(=O)C1 ZINC000903369225 654236950 /nfs/dbraw/zinc/23/69/50/654236950.db2.gz VJNHVJDQPIOSQK-QMTHXVAHSA-N 1 0 380.279 2.443 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ncc(Br)cc1F ZINC000903394254 654237384 /nfs/dbraw/zinc/23/73/84/654237384.db2.gz BUQAKLMMYAJFIV-GXSJLCMTSA-N 1 0 382.237 2.408 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Br)ncc1F ZINC000903395660 654237414 /nfs/dbraw/zinc/23/74/14/654237414.db2.gz IQVKJRKJIJZVBG-UWVGGRQHSA-N 1 0 382.237 2.408 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1nc(Br)ccc1F ZINC000903397475 654238129 /nfs/dbraw/zinc/23/81/29/654238129.db2.gz FIEMXBYLRSRHHF-ZJUUUORDSA-N 1 0 382.237 2.408 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000903424448 654238496 /nfs/dbraw/zinc/23/84/96/654238496.db2.gz VLTURJACPTWAFX-IAGOWNOFSA-N 1 0 386.539 2.036 20 0 GEADRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000852431258 654238717 /nfs/dbraw/zinc/23/87/17/654238717.db2.gz QYIDPDCKMXBNPX-STQMWFEESA-N 1 0 375.252 2.260 20 0 GEADRO C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccccc1I ZINC000903432124 654238977 /nfs/dbraw/zinc/23/89/77/654238977.db2.gz HUVMNPIWADPGBP-LLVKDONJSA-N 1 0 399.232 2.294 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1ccncc1Cl)CCS2(=O)=O ZINC000903452613 654239991 /nfs/dbraw/zinc/23/99/91/654239991.db2.gz PDIFAYMNAKZTIU-GWUZIGMUSA-N 1 0 386.901 2.285 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@](C)(C[NH3+])C(C)C ZINC000903493773 654241437 /nfs/dbraw/zinc/24/14/37/654241437.db2.gz VAALJWHUMKJYEB-MLGOLLRUSA-N 1 0 378.922 2.405 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000903493775 654241544 /nfs/dbraw/zinc/24/15/44/654241544.db2.gz VAALJWHUMKJYEB-WBMJQRKESA-N 1 0 378.922 2.405 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@](C)(C[NH3+])C(C)C)ccc1Br ZINC000903493639 654241588 /nfs/dbraw/zinc/24/15/88/654241588.db2.gz SQJKNCGZOOARME-CQSZACIVSA-N 1 0 377.304 2.303 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)NCC[S@](=O)CC(F)(F)F)CC1 ZINC000852458372 654241851 /nfs/dbraw/zinc/24/18/51/654241851.db2.gz FVDLGNOHYSMQKH-VWLOTQADSA-N 1 0 385.496 2.355 20 0 GEADRO CCS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473659 654244181 /nfs/dbraw/zinc/24/41/81/654244181.db2.gz PFPRRYHICCGCQB-ZIAGYGMSSA-N 1 0 384.464 2.077 20 0 GEADRO C[C@@](O)(C[NH+]1CCC(O)(CO)CC1)c1ccc(Br)cc1Cl ZINC000852500529 654244568 /nfs/dbraw/zinc/24/45/68/654244568.db2.gz NVDLOHKECNCQNV-CQSZACIVSA-N 1 0 378.694 2.129 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1F ZINC000903513547 654244769 /nfs/dbraw/zinc/24/47/69/654244769.db2.gz OJNXTVPXBDVSSU-SNVBAGLBSA-N 1 0 393.278 2.112 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c1F ZINC000903513599 654244819 /nfs/dbraw/zinc/24/48/19/654244819.db2.gz PJOZILFQSRJCAC-UHFFFAOYSA-N 1 0 383.283 2.202 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000903513693 654244861 /nfs/dbraw/zinc/24/48/61/654244861.db2.gz SZTKYOJPRJOVMN-VHSXEESVSA-N 1 0 395.294 2.345 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903514879 654245148 /nfs/dbraw/zinc/24/51/48/654245148.db2.gz HGDFYIWDWZPNHB-OCCSQVGLSA-N 1 0 384.299 2.445 20 0 GEADRO COc1cc(OC)c(NC(=O)CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000903517684 654246414 /nfs/dbraw/zinc/24/64/14/654246414.db2.gz HLJGVMHTMXRVTC-PSASIEDQSA-N 1 0 381.782 2.117 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903518671 654246796 /nfs/dbraw/zinc/24/67/96/654246796.db2.gz ODRHLYJIKABSHM-GWCFXTLKSA-N 1 0 377.279 2.102 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000890883454 654247115 /nfs/dbraw/zinc/24/71/15/654247115.db2.gz SUGHUSJQHGTOSW-UHFFFAOYSA-N 1 0 376.469 2.272 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1F ZINC000903518830 654247194 /nfs/dbraw/zinc/24/71/94/654247194.db2.gz SGGJNIHHCSWMKK-IUCAKERBSA-N 1 0 381.267 2.016 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c1F ZINC000903519290 654247395 /nfs/dbraw/zinc/24/73/95/654247395.db2.gz VPJNSZSIBYLLBB-VIFPVBQESA-N 1 0 383.283 2.393 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cccc(F)c1Br ZINC000903521757 654248068 /nfs/dbraw/zinc/24/80/68/654248068.db2.gz GUVUGLQWYPJEAS-LBPRGKRZSA-N 1 0 379.295 2.396 20 0 GEADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000903521475 654248094 /nfs/dbraw/zinc/24/80/94/654248094.db2.gz XPVPABZTVWPTJH-UHFFFAOYSA-N 1 0 376.320 2.230 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1F ZINC000903521706 654248103 /nfs/dbraw/zinc/24/81/03/654248103.db2.gz CYSKGNFZEMVVDY-DTWKUNHWSA-N 1 0 381.267 2.097 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1F ZINC000903521945 654248147 /nfs/dbraw/zinc/24/81/47/654248147.db2.gz JHSNGMSEWVBOSU-SNVBAGLBSA-N 1 0 395.294 2.407 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCCC[NH2+]C2CC2)c1F ZINC000903521617 654248345 /nfs/dbraw/zinc/24/83/45/654248345.db2.gz FEQBBBOQNPHGRT-UHFFFAOYSA-N 1 0 381.267 2.017 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1F ZINC000903525004 654249307 /nfs/dbraw/zinc/24/93/07/654249307.db2.gz JFQPFMONGQQJAZ-DTWKUNHWSA-N 1 0 381.267 2.016 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000903534122 654250796 /nfs/dbraw/zinc/25/07/96/654250796.db2.gz KSKJDEICVROPNX-MNOVXSKESA-N 1 0 397.324 2.152 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCCN2S(=O)(=O)c1cc(F)ccc1Br ZINC000903536758 654251123 /nfs/dbraw/zinc/25/11/23/654251123.db2.gz IGBAHRYWODLTDD-YGRLFVJLSA-N 1 0 377.279 2.480 20 0 GEADRO [NH3+][C@@H]1CN(CC(=O)NCCOc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000903535875 654251148 /nfs/dbraw/zinc/25/11/48/654251148.db2.gz YHPOUGZLTSICLU-ZIAGYGMSSA-N 1 0 379.810 2.047 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c(C)c1Cl ZINC000903537688 654251426 /nfs/dbraw/zinc/25/14/26/654251426.db2.gz ZBSHPIBBCFEBEQ-BONVTDFDSA-N 1 0 392.930 2.389 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903538754 654251723 /nfs/dbraw/zinc/25/17/23/654251723.db2.gz DKIJNJIOCVAJQB-WOPDTQHZSA-N 1 0 380.208 2.187 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)/C=C/c1ccccc1Br ZINC000903541753 654252217 /nfs/dbraw/zinc/25/22/17/654252217.db2.gz BYIMXFZQCNNESE-IZZDOVSWSA-N 1 0 389.315 2.189 20 0 GEADRO CN(CCC(=O)NCC1(n2cc(Br)cn2)CC1)c1cc[nH+]cc1 ZINC000832247066 654252938 /nfs/dbraw/zinc/25/29/38/654252938.db2.gz XBIWZXUKKJCLPO-UHFFFAOYSA-N 1 0 378.274 2.172 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000903545384 654253425 /nfs/dbraw/zinc/25/34/25/654253425.db2.gz PBJSDFVIOVAWBQ-VIFPVBQESA-N 1 0 385.338 2.492 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903548493 654253667 /nfs/dbraw/zinc/25/36/67/654253667.db2.gz VXDHLRAXRGMVBD-VXGBXAGGSA-N 1 0 383.901 2.421 20 0 GEADRO Cc1cc(Br)ccc1CS(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903548931 654254051 /nfs/dbraw/zinc/25/40/51/654254051.db2.gz QIEMNHQJSAVPOW-CHWSQXEVSA-N 1 0 375.332 2.423 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cnc2c(Br)csc2c1 ZINC000903559161 654255581 /nfs/dbraw/zinc/25/55/81/654255581.db2.gz DKDTXIZFEIQRHF-WHGOUJPWSA-N 1 0 388.312 2.230 20 0 GEADRO O=S(=O)(NCCCCCC1CC[NH2+]CC1)c1cnn(CC(F)(F)F)c1 ZINC000903561542 654256185 /nfs/dbraw/zinc/25/61/85/654256185.db2.gz IVKQTFAHSBZBHR-UHFFFAOYSA-N 1 0 382.452 2.284 20 0 GEADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903562963 654256615 /nfs/dbraw/zinc/25/66/15/654256615.db2.gz MFUUYZVFTXZLPS-KGYLQXTDSA-N 1 0 379.707 2.415 20 0 GEADRO Cc1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Br ZINC000903570271 654257530 /nfs/dbraw/zinc/25/75/30/654257530.db2.gz YHJNMJWBJUXJLY-MWLCHTKSSA-N 1 0 387.221 2.268 20 0 GEADRO COCCS(=O)(=O)CCC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000832303139 654257979 /nfs/dbraw/zinc/25/79/79/654257979.db2.gz BFCVBSZEIFIABL-HNNXBMFYSA-N 1 0 384.325 2.242 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000903570711 654258050 /nfs/dbraw/zinc/25/80/50/654258050.db2.gz ZHZMMGANUMFMGZ-GHMZBOCLSA-N 1 0 376.322 2.357 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(Br)c2F)C[C@H]1C(F)(F)F ZINC000903572520 654258344 /nfs/dbraw/zinc/25/83/44/654258344.db2.gz VDKSPIAYWWSDFO-HTRCEHHLSA-N 1 0 391.184 2.098 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1Cl ZINC000903573151 654258672 /nfs/dbraw/zinc/25/86/72/654258672.db2.gz GHAKEOAEUICJQI-DYVFJYSZSA-N 1 0 379.869 2.269 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000903575375 654259252 /nfs/dbraw/zinc/25/92/52/654259252.db2.gz LXDITCADWLJGNH-JTQLQIEISA-N 1 0 380.919 2.259 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1 ZINC000871793471 654259637 /nfs/dbraw/zinc/25/96/37/654259637.db2.gz RRHMYWZJZQZSSW-FGWVZKOKSA-N 1 0 382.873 2.296 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000852773927 654260422 /nfs/dbraw/zinc/26/04/22/654260422.db2.gz JMJFLYXSHFYMKM-OAHLLOKOSA-N 1 0 383.286 2.055 20 0 GEADRO CC(C)(C)n1ncc(C(=O)N2CCC(OCCC[NH3+])CC2)c1Br ZINC000852798973 654260814 /nfs/dbraw/zinc/26/08/14/654260814.db2.gz QARXMGQEBIWAKD-UHFFFAOYSA-N 1 0 387.322 2.371 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903583060 654262425 /nfs/dbraw/zinc/26/24/25/654262425.db2.gz BGWVFLYLAFJZKI-OTYXRUKQSA-N 1 0 393.278 2.099 20 0 GEADRO CC[NH2+]CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000832377526 654262745 /nfs/dbraw/zinc/26/27/45/654262745.db2.gz DMWJUUQOASQKKW-UHFFFAOYSA-N 1 0 375.922 2.100 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cc4sccc4nc3Cl)C2)nn1 ZINC000852833956 654262801 /nfs/dbraw/zinc/26/28/01/654262801.db2.gz HRWWDXKJCOGULC-LLVKDONJSA-N 1 0 376.873 2.477 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)C[C@H]1C(F)(F)F ZINC000871812471 654262797 /nfs/dbraw/zinc/26/27/97/654262797.db2.gz ADTWWBAFMYIEPO-CMPLNLGQSA-N 1 0 375.372 2.099 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000871812104 654262823 /nfs/dbraw/zinc/26/28/23/654262823.db2.gz VUXYZSMFFPFXQR-LDYMZIIASA-N 1 0 387.221 2.207 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)C[C@@H]1C(F)(F)F ZINC000871812472 654262835 /nfs/dbraw/zinc/26/28/35/654262835.db2.gz ADTWWBAFMYIEPO-JQWIXIFHSA-N 1 0 375.372 2.099 20 0 GEADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)cccc1Cl ZINC000871811580 654262893 /nfs/dbraw/zinc/26/28/93/654262893.db2.gz YYANBKVYEFIRIX-NSHDSACASA-N 1 0 379.309 2.430 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000871811490 654262939 /nfs/dbraw/zinc/26/29/39/654262939.db2.gz PDMLQGBDCUTNNG-LDYMZIIASA-N 1 0 376.322 2.463 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)Cc1cccc(F)c1Br ZINC000903584117 654263235 /nfs/dbraw/zinc/26/32/35/654263235.db2.gz IAEBRKOBFIVTLH-RISCZKNCSA-N 1 0 377.279 2.231 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cscc2Br)C[C@H]1C(F)(F)F ZINC000871812650 654263274 /nfs/dbraw/zinc/26/32/74/654263274.db2.gz JHUIYRNCAUIFMQ-NKWVEPMBSA-N 1 0 393.250 2.268 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC2([NH3+])CCCC2)ccc1Cl ZINC000852852464 654263408 /nfs/dbraw/zinc/26/34/08/654263408.db2.gz YORBYUQZYQMBQU-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903586834 654263662 /nfs/dbraw/zinc/26/36/62/654263662.db2.gz KRQOHWVYHYOQDK-ABAIWWIYSA-N 1 0 376.906 2.112 20 0 GEADRO O=C(C=C1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000852855118 654263867 /nfs/dbraw/zinc/26/38/67/654263867.db2.gz FFOHOONSUQRNII-UHFFFAOYSA-N 1 0 384.343 2.465 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903587759 654264070 /nfs/dbraw/zinc/26/40/70/654264070.db2.gz AZNPXASQDBWTJW-NHYWBVRUSA-N 1 0 388.331 2.017 20 0 GEADRO CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C[C@H]1[NH3+] ZINC000903587098 654264087 /nfs/dbraw/zinc/26/40/87/654264087.db2.gz PFWFMAKRBIQSSL-BLLLJJGKSA-N 1 0 388.917 2.113 20 0 GEADRO Cc1c(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cnn1-c1ccc(Cl)cc1 ZINC000871814795 654264295 /nfs/dbraw/zinc/26/42/95/654264295.db2.gz ILAPEPBLWXCCCB-SUMWQHHRSA-N 1 0 380.901 2.064 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000903589378 654264540 /nfs/dbraw/zinc/26/45/40/654264540.db2.gz AHWSBRCUJLHCAP-UHFFFAOYSA-N 1 0 395.319 2.085 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000852866311 654264515 /nfs/dbraw/zinc/26/45/15/654264515.db2.gz FLXNSPMLHIERKW-MRXNPFEDSA-N 1 0 389.949 2.474 20 0 GEADRO O=S(=O)(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cc(Br)cnc1Cl ZINC000871817837 654265073 /nfs/dbraw/zinc/26/50/73/654265073.db2.gz VLZMCXUOXSHSOM-ZYHUDNBSSA-N 1 0 380.695 2.060 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N[C@]34CCC[C@H]3[NH2+]CC4)cc2N1 ZINC000871817382 654265088 /nfs/dbraw/zinc/26/50/88/654265088.db2.gz CIPQZQZAUVBIAL-WBVHZDCISA-N 1 0 383.901 2.178 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871821938 654266054 /nfs/dbraw/zinc/26/60/54/654266054.db2.gz BTYHUKBXMHELMS-HOCLYGCPSA-N 1 0 379.592 2.359 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c(C)c1Cl ZINC000903593864 654266137 /nfs/dbraw/zinc/26/61/37/654266137.db2.gz XZVGZPRAVZZZNP-CQSZACIVSA-N 1 0 378.903 2.013 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)=NO1 ZINC000852894570 654266205 /nfs/dbraw/zinc/26/62/05/654266205.db2.gz WONRKYOAGPMNNY-LSDHHAIUSA-N 1 0 380.286 2.476 20 0 GEADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2cscc2C(F)F)ccc1=O ZINC000903615256 654267529 /nfs/dbraw/zinc/26/75/29/654267529.db2.gz VSQJIHJVKJRKPP-UHFFFAOYSA-N 1 0 377.438 2.210 20 0 GEADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000803219152 654268021 /nfs/dbraw/zinc/26/80/21/654268021.db2.gz BVIQXTSSEHJOOB-LSDHHAIUSA-N 1 0 383.583 2.334 20 0 GEADRO CC1CC[NH+](Cc2ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc2)CC1 ZINC000903618450 654268242 /nfs/dbraw/zinc/26/82/42/654268242.db2.gz KVDFYYOQBJTITI-XMMPIXPASA-N 1 0 388.559 2.150 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)COCCc1ccc(Br)cc1 ZINC000891191240 654270758 /nfs/dbraw/zinc/27/07/58/654270758.db2.gz JEYPUBSUSLWXGE-UHFFFAOYSA-N 1 0 395.301 2.405 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2nn(C)cc2Br)(C(F)(F)F)CC1 ZINC000891211404 654271955 /nfs/dbraw/zinc/27/19/55/654271955.db2.gz HWTDXNXVEBFPGX-UHFFFAOYSA-N 1 0 383.212 2.329 20 0 GEADRO CC[NH+]1CCC(NC(=O)Cc2c(Br)cnn2C)(C(F)(F)F)CC1 ZINC000891211804 654272130 /nfs/dbraw/zinc/27/21/30/654272130.db2.gz KQJMJQNIAMAZLY-UHFFFAOYSA-N 1 0 397.239 2.258 20 0 GEADRO CS(=O)(=O)NCCC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921501732 654275815 /nfs/dbraw/zinc/27/58/15/654275815.db2.gz NCKXOJQSKGYBTB-UHFFFAOYSA-N 1 0 378.267 2.098 20 0 GEADRO CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NCC[NH2+]C)c(Cl)cc1Cl ZINC000832573393 654277242 /nfs/dbraw/zinc/27/72/42/654277242.db2.gz OOXZZQKVDRAOHS-SNVBAGLBSA-N 1 0 396.340 2.410 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc(Br)c1 ZINC000871920196 654277816 /nfs/dbraw/zinc/27/78/16/654277816.db2.gz DHMYIUUWHUSHGF-LSDHHAIUSA-N 1 0 383.286 2.151 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000921528977 654278505 /nfs/dbraw/zinc/27/85/05/654278505.db2.gz YAWJJZUNMLRIDB-MGPQQGTHSA-N 1 0 381.464 2.054 20 0 GEADRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000921542255 654278945 /nfs/dbraw/zinc/27/89/45/654278945.db2.gz ASZQDNMAIJOXIP-OAHLLOKOSA-N 1 0 398.345 2.096 20 0 GEADRO O[C@@H](C[NH2+]CCOc1ccc(I)cc1)c1ccccn1 ZINC000853102899 654279072 /nfs/dbraw/zinc/27/90/72/654279072.db2.gz HNBRVEPYANSSOU-HNNXBMFYSA-N 1 0 384.217 2.388 20 0 GEADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903715630 654280512 /nfs/dbraw/zinc/28/05/12/654280512.db2.gz KLCBJOQEFKXSKZ-QWRGUYRKSA-N 1 0 397.850 2.488 20 0 GEADRO [NH3+]C[C@H]1CN(CCS(=O)(=O)c2nc3ccccc3s2)C[C@@H]1C(F)(F)F ZINC000903780465 654283269 /nfs/dbraw/zinc/28/32/69/654283269.db2.gz HCIIUPYXHWCGES-QWRGUYRKSA-N 1 0 393.456 2.139 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2CCS(=O)(=O)c1cccc(Br)c1 ZINC000903796676 654283776 /nfs/dbraw/zinc/28/37/76/654283776.db2.gz BLNGYTXSEYNQNA-BBRMVZONSA-N 1 0 387.343 2.426 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cc1Cl)C1(C[NH3+])CCOCC1 ZINC000903807390 654284165 /nfs/dbraw/zinc/28/41/65/654284165.db2.gz CLKFSAHAXOUPNO-UHFFFAOYSA-N 1 0 390.709 2.481 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000832680064 654287203 /nfs/dbraw/zinc/28/72/03/654287203.db2.gz NGPHCJRXTGQBLC-UHFFFAOYSA-N 1 0 395.356 2.083 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000832679588 654287405 /nfs/dbraw/zinc/28/74/05/654287405.db2.gz HFPRFYLRIXBUEX-UHFFFAOYSA-N 1 0 395.356 2.083 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCN2CC(=O)Nc1ccccc1I ZINC000903853092 654287643 /nfs/dbraw/zinc/28/76/43/654287643.db2.gz DIUUETGHPFVTHM-XHDPSFHLSA-N 1 0 385.249 2.043 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903859080 654288024 /nfs/dbraw/zinc/28/80/24/654288024.db2.gz ZQSICELERJVYJZ-BLLLJJGKSA-N 1 0 399.276 2.351 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000853234375 654288196 /nfs/dbraw/zinc/28/81/96/654288196.db2.gz DQFPMWQJZVKLQL-YDBLSZJJSA-N 1 0 397.488 2.495 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832717877 654289954 /nfs/dbraw/zinc/28/99/54/654289954.db2.gz MZPHQNPFPUDJAW-AWEZNQCLSA-N 1 0 377.551 2.036 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000832721577 654290431 /nfs/dbraw/zinc/29/04/31/654290431.db2.gz BHWOTQVRSCREDI-HNNXBMFYSA-N 1 0 393.347 2.086 20 0 GEADRO C[C@H]1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[C@H]1[NH3+] ZINC000832737080 654291824 /nfs/dbraw/zinc/29/18/24/654291824.db2.gz LDJZDALQALUKTN-SMDDNHRTSA-N 1 0 378.523 2.124 20 0 GEADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CCC12CCC2 ZINC000891412472 654292107 /nfs/dbraw/zinc/29/21/07/654292107.db2.gz ZRNQTZBIYKEKHZ-UHFFFAOYSA-N 1 0 385.917 2.041 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCCC1N=NC(=S)N1C1CC1)c1ccsc1 ZINC000853346897 654292943 /nfs/dbraw/zinc/29/29/43/654292943.db2.gz BDWILAXMSQBRTC-ZDUSSCGKSA-N 1 0 380.543 2.108 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1OC ZINC000903969356 654293347 /nfs/dbraw/zinc/29/33/47/654293347.db2.gz XQNMLALWSCBLHH-AWEZNQCLSA-N 1 0 390.933 2.004 20 0 GEADRO COc1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)c(Br)c1O ZINC000903972448 654293361 /nfs/dbraw/zinc/29/33/61/654293361.db2.gz IXALOFPFWVQHGH-CYBMUJFWSA-N 1 0 385.302 2.412 20 0 GEADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000903969959 654293427 /nfs/dbraw/zinc/29/34/27/654293427.db2.gz NQIBUWSGLILGHR-VIFPVBQESA-N 1 0 387.752 2.030 20 0 GEADRO COc1cc(Br)c(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1O ZINC000903973078 654293871 /nfs/dbraw/zinc/29/38/71/654293871.db2.gz NVFQTMFHRZXHRB-CYBMUJFWSA-N 1 0 385.302 2.412 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000891445959 654294161 /nfs/dbraw/zinc/29/41/61/654294161.db2.gz NBSNXEZNRUZYQQ-UHFFFAOYSA-N 1 0 396.285 2.386 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891463227 654294429 /nfs/dbraw/zinc/29/44/29/654294429.db2.gz CPKBJCVZZWSMJP-AAEUAGOBSA-N 1 0 383.290 2.217 20 0 GEADRO O=C(NCc1sccc1Br)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891459126 654294629 /nfs/dbraw/zinc/29/46/29/654294629.db2.gz APPVUYWLVNRBDC-NSHDSACASA-N 1 0 388.331 2.469 20 0 GEADRO COc1cc(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc(Br)c1OC ZINC000891465966 654294871 /nfs/dbraw/zinc/29/48/71/654294871.db2.gz RWEBQBVZTGRISX-YVEFUNNKSA-N 1 0 398.301 2.217 20 0 GEADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891478003 654295960 /nfs/dbraw/zinc/29/59/60/654295960.db2.gz GZJWHJVLAJKJNP-HOTGVXAUSA-N 1 0 394.313 2.253 20 0 GEADRO CCO[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OC(F)F)C[NH+](C)C ZINC000921635154 654296868 /nfs/dbraw/zinc/29/68/68/654296868.db2.gz WEQCPTZTHJSYTP-LLVKDONJSA-N 1 0 386.848 2.186 20 0 GEADRO O=C(CC[NH2+]Cc1cnc2n1CCOC2)Nc1ccc(Br)cc1 ZINC000921647521 654298606 /nfs/dbraw/zinc/29/86/06/654298606.db2.gz MJSPLSNIASAPQW-UHFFFAOYSA-N 1 0 379.258 2.294 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(CSc3ccc(Cl)cc3)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904081191 654300463 /nfs/dbraw/zinc/30/04/63/654300463.db2.gz ALCPEOIKOXKBCI-BPNCWPANSA-N 1 0 399.925 2.190 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3cc(Cl)cc(Cl)c3)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904085744 654300818 /nfs/dbraw/zinc/30/08/18/654300818.db2.gz RCKWPJIGBIHSKP-XDTLVQLUSA-N 1 0 388.276 2.219 20 0 GEADRO O=C(NCc1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1)c1ccc(Br)cc1 ZINC000904118304 654302407 /nfs/dbraw/zinc/30/24/07/654302407.db2.gz FOVPTNKNKYZDHL-DYEKYZERSA-N 1 0 377.242 2.085 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000904119363 654302468 /nfs/dbraw/zinc/30/24/68/654302468.db2.gz SQRYKMWRNKVJEC-LBPRGKRZSA-N 1 0 379.258 2.475 20 0 GEADRO Cc1[nH+]ccc(N2CCN(c3ncnc4c3cnn4C)CC2)c1Br ZINC000891669314 654305806 /nfs/dbraw/zinc/30/58/06/654305806.db2.gz BWGSMBCGZQPDHZ-UHFFFAOYSA-N 1 0 388.273 2.156 20 0 GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891681020 654306434 /nfs/dbraw/zinc/30/64/34/654306434.db2.gz DSAHRPIHGBUKGC-IRXDYDNUSA-N 1 0 393.329 2.169 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000904299985 654307362 /nfs/dbraw/zinc/30/73/62/654307362.db2.gz SYBLCEWKQMXWSR-HNNXBMFYSA-N 1 0 397.317 2.405 20 0 GEADRO CC[N@@H+]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)[C@H](C)C1 ZINC000804380332 654307649 /nfs/dbraw/zinc/30/76/49/654307649.db2.gz HSCFPHTVXNPMER-GFCCVEGCSA-N 1 0 379.917 2.440 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000833574654 654307974 /nfs/dbraw/zinc/30/79/74/654307974.db2.gz HQGCLUPLEVCSJQ-LLVKDONJSA-N 1 0 379.498 2.272 20 0 GEADRO Cn1cc(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc(Br)c1=O ZINC000904374759 654308445 /nfs/dbraw/zinc/30/84/45/654308445.db2.gz WIEXZEWBISNQJT-UHFFFAOYSA-N 1 0 385.306 2.377 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000904417638 654309770 /nfs/dbraw/zinc/30/97/70/654309770.db2.gz LDMJQRCXLHMSOD-GFCCVEGCSA-N 1 0 379.262 2.149 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904461675 654311590 /nfs/dbraw/zinc/31/15/90/654311590.db2.gz MHEDUYNQOOJUQK-HOCOFYGGSA-N 1 0 386.221 2.389 20 0 GEADRO [NH3+][C@H](CC(F)F)CN1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000904469182 654312146 /nfs/dbraw/zinc/31/21/46/654312146.db2.gz JGEFKPMLQWFHSY-ZCFIWIBFSA-N 1 0 377.155 2.463 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000904538011 654312980 /nfs/dbraw/zinc/31/29/80/654312980.db2.gz LCIAXOQUQZHZBF-FVMDXXJSSA-N 1 0 395.257 2.125 20 0 GEADRO COCCOc1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1Br ZINC000904547587 654313488 /nfs/dbraw/zinc/31/34/88/654313488.db2.gz FVHJRZVLRPSNCI-KWCYVHTRSA-N 1 0 384.274 2.489 20 0 GEADRO COCCOc1ccc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1Br ZINC000904547538 654313516 /nfs/dbraw/zinc/31/35/16/654313516.db2.gz DMPLGVJKFMDZRF-CHWSQXEVSA-N 1 0 390.253 2.377 20 0 GEADRO Cc1ccc(-c2noc([C@H]3CCCN(CC[NH3+])C3=O)n2)cc1Br ZINC000904596136 654313877 /nfs/dbraw/zinc/31/38/77/654313877.db2.gz GUDUQYZAAIUPJD-GFCCVEGCSA-N 1 0 379.258 2.472 20 0 GEADRO Brc1cnn(Cc2noc([C@@H]3CC[NH2+][C@H]([C@H]4CCCO4)C3)n2)c1 ZINC000904619399 654314471 /nfs/dbraw/zinc/31/44/71/654314471.db2.gz ZRJXPOLKIFFNBY-KGYLQXTDSA-N 1 0 382.262 2.092 20 0 GEADRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000872121434 654314482 /nfs/dbraw/zinc/31/44/82/654314482.db2.gz ZXXFUTGILQQFPI-IKKMQULASA-N 1 0 389.514 2.236 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000853684736 654315057 /nfs/dbraw/zinc/31/50/57/654315057.db2.gz XQPWDBHUIDGNJC-CYBMUJFWSA-N 1 0 384.322 2.291 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000853684737 654315172 /nfs/dbraw/zinc/31/51/72/654315172.db2.gz XQPWDBHUIDGNJC-ZDUSSCGKSA-N 1 0 384.322 2.291 20 0 GEADRO CCn1c(CNC(=O)N2C[C@@H]([NH3+])C[C@H]2C)nc2cc(Br)ccc21 ZINC000891852427 654315359 /nfs/dbraw/zinc/31/53/59/654315359.db2.gz YRTOVBQGUUIDOD-PWSUYJOCSA-N 1 0 380.290 2.450 20 0 GEADRO CCN1CCN(C(=O)[C@H](C)OC(=O)c2ccc(F)cc2Br)CC1 ZINC000804623409 654315436 /nfs/dbraw/zinc/31/54/36/654315436.db2.gz CTWHKOOGSCYUQQ-NSHDSACASA-N 1 0 387.249 2.298 20 0 GEADRO [NH3+]CCN1CCC[C@@H](c2nc(CCc3ccccc3Br)no2)C1=O ZINC000904675730 654315698 /nfs/dbraw/zinc/31/56/98/654315698.db2.gz WWTNLJYHRNBAJM-ZDUSSCGKSA-N 1 0 393.285 2.282 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccc(Cl)cc2I)C1 ZINC000891858250 654315826 /nfs/dbraw/zinc/31/58/26/654315826.db2.gz NMNNSJAXRCHXPB-DKTWLAJQSA-N 1 0 393.656 2.481 20 0 GEADRO [NH3+]CCN1CCC[C@H](c2nc(CCc3ccccc3Br)no2)C1=O ZINC000904675728 654315822 /nfs/dbraw/zinc/31/58/22/654315822.db2.gz WWTNLJYHRNBAJM-CYBMUJFWSA-N 1 0 393.285 2.282 20 0 GEADRO [NH3+]C[C@@]1(c2nc(-c3csc(I)c3)no2)CCCOC1 ZINC000872179124 654316006 /nfs/dbraw/zinc/31/60/06/654316006.db2.gz BWYTXDUVTRXQBG-LBPRGKRZSA-N 1 0 391.234 2.410 20 0 GEADRO [NH3+]C[C@@]1(c2nc(Cc3cc4c(cc3Br)OCO4)no2)CCCOC1 ZINC000872178366 654316052 /nfs/dbraw/zinc/31/60/52/654316052.db2.gz VUKODTVCNAEYIX-INIZCTEOSA-N 1 0 396.241 2.159 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000872185159 654316183 /nfs/dbraw/zinc/31/61/83/654316183.db2.gz HSNAFZRYDKXKPA-UHFFFAOYSA-N 1 0 384.318 2.385 20 0 GEADRO COc1nc(-c2noc(C(F)(F)C3CC[NH2+]CC3)n2)ncc1Br ZINC000904681456 654316298 /nfs/dbraw/zinc/31/62/98/654316298.db2.gz AXFYJDRWXHQEAC-UHFFFAOYSA-N 1 0 390.188 2.389 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccsc2)C[C@H]1C(F)(F)F ZINC000872185595 654316435 /nfs/dbraw/zinc/31/64/35/654316435.db2.gz BWTRQXBJSDKBDI-UPJWGTAASA-N 1 0 375.416 2.007 20 0 GEADRO Cc1cc(Br)ccc1-c1noc([C@H]2CCCN(CC[NH3+])C2=O)n1 ZINC000904688948 654316521 /nfs/dbraw/zinc/31/65/21/654316521.db2.gz FVCJNVFAATXMJG-CYBMUJFWSA-N 1 0 379.258 2.472 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000872218629 654317536 /nfs/dbraw/zinc/31/75/36/654317536.db2.gz QVVCIPPBMLVSCX-GJZGRUSLSA-N 1 0 377.312 2.168 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000872217882 654317603 /nfs/dbraw/zinc/31/76/03/654317603.db2.gz GPSBTMWUMUZZKC-STQMWFEESA-N 1 0 377.312 2.168 20 0 GEADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891922620 654318715 /nfs/dbraw/zinc/31/87/15/654318715.db2.gz SCRIZEZOGJVWFW-HZPDHXFCSA-N 1 0 385.917 2.040 20 0 GEADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891922621 654318739 /nfs/dbraw/zinc/31/87/39/654318739.db2.gz SCRIZEZOGJVWFW-JKSUJKDBSA-N 1 0 385.917 2.040 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1c(Br)cncc1Br ZINC000891929511 654318942 /nfs/dbraw/zinc/31/89/42/654318942.db2.gz LICCISHQRWVXAP-HTQZYQBOSA-N 1 0 392.095 2.238 20 0 GEADRO O=c1oc(-c2nc(N3CC[NH2+]CC3)no2)cc2ccc(Br)cc21 ZINC000904741082 654319095 /nfs/dbraw/zinc/31/90/95/654319095.db2.gz RWHDOZPZVVRDFQ-UHFFFAOYSA-N 1 0 377.198 2.015 20 0 GEADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(Br)c[nH]1 ZINC000921767447 654319804 /nfs/dbraw/zinc/31/98/04/654319804.db2.gz RLYKOAYLKQZHJY-HUUCEWRRSA-N 1 0 379.302 2.145 20 0 GEADRO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000872254808 654319898 /nfs/dbraw/zinc/31/98/98/654319898.db2.gz DGINLPCGDRWROC-FPMFFAJLSA-N 1 0 376.507 2.239 20 0 GEADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000872247716 654320035 /nfs/dbraw/zinc/32/00/35/654320035.db2.gz VBYSZBKXEFDZSS-VIYLOZMYSA-N 1 0 387.929 2.334 20 0 GEADRO C[C@H](C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccc(Cl)s1 ZINC000872257882 654320448 /nfs/dbraw/zinc/32/04/48/654320448.db2.gz KSIXTNQACHFESL-UHTWSYAYSA-N 1 0 383.901 2.289 20 0 GEADRO O=C(c1c(Cl)cccc1Cl)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264629 654320854 /nfs/dbraw/zinc/32/08/54/654320854.db2.gz WVEYQFSTNLEODU-KGLIPLIRSA-N 1 0 384.263 2.391 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000853787515 654321244 /nfs/dbraw/zinc/32/12/44/654321244.db2.gz YHMOABOGHAWZDG-DOMZBBRYSA-N 1 0 382.302 2.145 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872291508 654321907 /nfs/dbraw/zinc/32/19/07/654321907.db2.gz UWBJLFICKTUYGI-SNVBAGLBSA-N 1 0 388.331 2.229 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892002166 654323121 /nfs/dbraw/zinc/32/31/21/654323121.db2.gz LHJQZMMOCAJBBN-CYBMUJFWSA-N 1 0 380.286 2.389 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)C(F)(F)F)n1 ZINC000904940812 654325093 /nfs/dbraw/zinc/32/50/93/654325093.db2.gz TUCANEDFTACWAL-SLEUVZQESA-N 1 0 377.432 2.192 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853851344 654325449 /nfs/dbraw/zinc/32/54/49/654325449.db2.gz WYHKGFHMDWZZJR-WBMJQRKESA-N 1 0 394.313 2.145 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905006114 654326412 /nfs/dbraw/zinc/32/64/12/654326412.db2.gz HXGQMDIRRFIIDY-KDOFPFPSSA-N 1 0 394.313 2.056 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000892047737 654326476 /nfs/dbraw/zinc/32/64/76/654326476.db2.gz BPXIHYWHJXLALW-ZFWWWQNUSA-N 1 0 376.284 2.112 20 0 GEADRO CC[C@](O)(C[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)C(F)(F)F ZINC000905027279 654327212 /nfs/dbraw/zinc/32/72/12/654327212.db2.gz QIYHUACCGOKKMU-HNNXBMFYSA-N 1 0 382.448 2.307 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]Cc2cc(F)ccc2F)CCC1 ZINC000905093925 654330808 /nfs/dbraw/zinc/33/08/08/654330808.db2.gz OAKZWNFVPZZOGR-HNNXBMFYSA-N 1 0 376.469 2.056 20 0 GEADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1nc(C)n(C)c1Br ZINC000804985486 654330997 /nfs/dbraw/zinc/33/09/97/654330997.db2.gz UELUQHOCJNWMKU-UHFFFAOYSA-N 1 0 395.367 2.281 20 0 GEADRO Cc1nc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c(Br)n1C ZINC000804988640 654331417 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O[C@@H](C[NH2+]CCCc1ccc(Br)cc1F)C[C@]1(O)CCOC1 ZINC000905119775 654333177 /nfs/dbraw/zinc/33/31/77/654333177.db2.gz NIUNDXAMJYHYDL-GDBMZVCRSA-N 1 0 376.266 2.013 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1=O ZINC000905147619 654334688 /nfs/dbraw/zinc/33/46/88/654334688.db2.gz LEONDYVZVXJXCK-ZLENFMNRSA-N 1 0 386.279 2.337 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Cl)ncc2Br)C1 ZINC000834564689 654335212 /nfs/dbraw/zinc/33/52/12/654335212.db2.gz NSLWIFHRWHKMQZ-AWEZNQCLSA-N 1 0 376.682 2.026 20 0 GEADRO O=C(Cc1cccs1)Nc1nc(CC(=O)N[C@@H]2CCC[NH2+]CC2)cs1 ZINC000834579331 654336192 /nfs/dbraw/zinc/33/61/92/654336192.db2.gz VLHPZOSBUPGCHR-GFCCVEGCSA-N 1 0 378.523 2.187 20 0 GEADRO CC1([NH3+])CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000834595060 654337158 /nfs/dbraw/zinc/33/71/58/654337158.db2.gz YIIWMRBXUOCLEC-UHFFFAOYSA-N 1 0 385.917 2.078 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000892262749 654337454 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2.043 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000892323560 654340281 /nfs/dbraw/zinc/34/02/81/654340281.db2.gz WNYXIYXJPVMPBV-PLISQPBWSA-N 1 0 376.298 2.481 20 0 GEADRO Brc1ccc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000892332085 654340609 /nfs/dbraw/zinc/34/06/09/654340609.db2.gz SLXKETYRDKUGDN-UHFFFAOYSA-N 1 0 392.305 2.043 20 0 GEADRO CS(=O)(=O)Nc1cccc(-c2noc(-c3cc4c(s3)CC[NH2+]C4)n2)c1 ZINC000854135420 654341559 /nfs/dbraw/zinc/34/15/59/654341559.db2.gz CZMSVZDJDJKBKX-UHFFFAOYSA-N 1 0 376.463 2.482 20 0 GEADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000905232030 654341890 /nfs/dbraw/zinc/34/18/90/654341890.db2.gz VQOUYHGXFCNXHG-SUMWQHHRSA-N 1 0 389.539 2.116 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000892357714 654342552 /nfs/dbraw/zinc/34/25/52/654342552.db2.gz GSPRJWVDSUCMQT-ZDUSSCGKSA-N 1 0 384.322 2.104 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000921925555 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GEADRO C[C@@H](CCC[NH3+])NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000834813095 654350015 /nfs/dbraw/zinc/35/00/15/654350015.db2.gz DPODBABUCZEVOG-VIFPVBQESA-N 1 0 394.324 2.291 20 0 GEADRO COc1ccc(Br)cc1CN(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330565 654350479 /nfs/dbraw/zinc/35/04/79/654350479.db2.gz CRBTXUGFNGUNAG-UHFFFAOYSA-N 1 0 391.331 2.219 20 0 GEADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905331058 654350496 /nfs/dbraw/zinc/35/04/96/654350496.db2.gz HVRUNGXDCOUNEL-UHFFFAOYSA-N 1 0 394.324 2.193 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000892554210 654350774 /nfs/dbraw/zinc/35/07/74/654350774.db2.gz BIFJDXLRSUTZCB-WFASDCNBSA-N 1 0 395.301 2.042 20 0 GEADRO C[C@]12CCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)C[C@H]1C2(Br)Br ZINC000892549146 654351009 /nfs/dbraw/zinc/35/10/09/654351009.db2.gz WWDXNNPVEFMHPL-KLBPJQLPSA-N 1 0 395.139 2.261 20 0 GEADRO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cnc1Br ZINC000854332757 654351429 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C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834850843 654353375 /nfs/dbraw/zinc/35/33/75/654353375.db2.gz QPRJFYADIGORAX-DZGCQCFKSA-N 1 0 376.469 2.180 20 0 GEADRO C[C@](O)(C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1)C(F)(F)C(F)(F)F ZINC000905373278 654354121 /nfs/dbraw/zinc/35/41/21/654354121.db2.gz PZWVOFBHEMEPCL-OLZOCXBDSA-N 1 0 375.378 2.482 20 0 GEADRO CCn1c(CNCCOCC[NH+](C)C)nc(Br)c1Br ZINC000922007084 654354444 /nfs/dbraw/zinc/35/44/44/654354444.db2.gz FTWNUYICLMQNEH-UHFFFAOYSA-N 1 0 398.143 2.096 20 0 GEADRO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854353895 654354773 /nfs/dbraw/zinc/35/47/73/654354773.db2.gz IWQSOJRMZCDGFN-HNNXBMFYSA-N 1 0 382.599 2.248 20 0 GEADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000905386198 654354960 /nfs/dbraw/zinc/35/49/60/654354960.db2.gz ONEIVYCWGHRKLE-IOSBVQAASA-N 1 0 382.328 2.395 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834879078 654355194 /nfs/dbraw/zinc/35/51/94/654355194.db2.gz PPKNRWBGZXPZLK-QLFBSQMISA-N 1 0 377.551 2.082 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]Cc2cccc(F)c2F)CCC1 ZINC000905403291 654355543 /nfs/dbraw/zinc/35/55/43/654355543.db2.gz FYZNRLFCYFZTGW-AWEZNQCLSA-N 1 0 376.469 2.056 20 0 GEADRO O[C@@H](C[NH2+]CCc1cc(Cl)cc(Br)c1)C[C@]1(O)CCOC1 ZINC000905418195 654356013 /nfs/dbraw/zinc/35/60/13/654356013.db2.gz JVXKBYKVTWFXHX-HUUCEWRRSA-N 1 0 378.694 2.137 20 0 GEADRO CSc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905446510 654357865 /nfs/dbraw/zinc/35/78/65/654357865.db2.gz IBSNFDVBKGDZCS-BXKDBHETSA-N 1 0 375.359 2.296 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCO2 ZINC000905491395 654360518 /nfs/dbraw/zinc/36/05/18/654360518.db2.gz UZELFWSNORUGKF-CXFXUWLJSA-N 1 0 375.334 2.025 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000835074620 654360671 /nfs/dbraw/zinc/36/06/71/654360671.db2.gz SCKNQNLAEZOLDE-CYBMUJFWSA-N 1 0 397.317 2.328 20 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CS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000905562715 654366221 /nfs/dbraw/zinc/36/62/21/654366221.db2.gz YHIGEJAHXXOHQJ-MRXNPFEDSA-N 1 0 383.897 2.316 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000835167006 654367538 /nfs/dbraw/zinc/36/75/38/654367538.db2.gz PZSLETFCXYZZIW-NEPJUHHUSA-N 1 0 383.290 2.080 20 0 GEADRO COc1ccc(OC)c([C@@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000905588030 654368153 /nfs/dbraw/zinc/36/81/53/654368153.db2.gz SBPYUWWSSOFYEV-HNNXBMFYSA-N 1 0 396.285 2.475 20 0 GEADRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905587642 654368217 /nfs/dbraw/zinc/36/82/17/654368217.db2.gz QKWQQGPJDIUJJK-QGZVFWFLSA-N 1 0 393.329 2.217 20 0 GEADRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)CCOCCO ZINC000922114783 654369128 /nfs/dbraw/zinc/36/91/28/654369128.db2.gz YLUUFDOZTHMYHR-UONOGXRCSA-N 1 0 375.296 2.154 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000835190458 654370236 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ZINC000905780798 654379588 /nfs/dbraw/zinc/37/95/88/654379588.db2.gz BAFAOQIMFSEXBS-UHFFFAOYSA-N 1 0 399.236 2.019 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000835317142 654379790 /nfs/dbraw/zinc/37/97/90/654379790.db2.gz MTCBWPLGPJJUKH-UHFFFAOYSA-N 1 0 395.301 2.224 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)s1 ZINC000922263040 654380407 /nfs/dbraw/zinc/38/04/07/654380407.db2.gz OGVIYUAKINZQDD-CQSZACIVSA-N 1 0 387.571 2.413 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](COC(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)C1 ZINC000893106687 654382668 /nfs/dbraw/zinc/38/26/68/654382668.db2.gz PRSHGLCFZYXDMD-STQMWFEESA-N 1 0 385.555 2.315 20 0 GEADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(Br)c[nH]2)cc1OC ZINC000922327463 654384078 /nfs/dbraw/zinc/38/40/78/654384078.db2.gz CLWHZYSXAVGQTN-INIZCTEOSA-N 1 0 384.274 2.273 20 0 GEADRO C[C@H](COC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)[NH+]1CCCCC1 ZINC000893135496 654384221 /nfs/dbraw/zinc/38/42/21/654384221.db2.gz SOHCABBKZGEUQA-KGLIPLIRSA-N 1 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GEADRO C[C@H]([NH2+]Cc1cccc(F)c1I)[C@@H]1CN(C)CCO1 ZINC000873081887 654413371 /nfs/dbraw/zinc/41/33/71/654413371.db2.gz VEPABUHSVPQMTE-GWCFXTLKSA-N 1 0 378.229 2.239 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(C)c1Cl ZINC000873105887 654415319 /nfs/dbraw/zinc/41/53/19/654415319.db2.gz BXSPMWCDQYHLKV-CMPLNLGQSA-N 1 0 377.794 2.491 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C ZINC000873108151 654416094 /nfs/dbraw/zinc/41/60/94/654416094.db2.gz UPRKHITYMXKYEG-GHMZBOCLSA-N 1 0 377.794 2.491 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ncsc1Br ZINC000855403372 654417045 /nfs/dbraw/zinc/41/70/45/654417045.db2.gz MDHYBYKQKBRGAM-ZDUSSCGKSA-N 1 0 396.310 2.402 20 0 GEADRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000893717299 654417644 /nfs/dbraw/zinc/41/76/44/654417644.db2.gz PCSPCSHURAWILE-UHFFFAOYSA-N 1 0 375.516 2.076 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Br)ncc1Cl ZINC000855415201 654418139 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Cn1nccc1[C@H](O)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000922972389 654422486 /nfs/dbraw/zinc/42/24/86/654422486.db2.gz IWHFUTIXSCUVFZ-OAHLLOKOSA-N 1 0 376.258 2.396 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)C[C@@H]1C(F)(F)F ZINC000873316642 654424425 /nfs/dbraw/zinc/42/44/25/654424425.db2.gz SRXRZTZFATYKBJ-RITPCOANSA-N 1 0 377.314 2.244 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1Br ZINC000873323152 654424740 /nfs/dbraw/zinc/42/47/40/654424740.db2.gz FLCSREKOAZGITQ-MLGOLLRUSA-N 1 0 381.274 2.215 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000873332154 654425125 /nfs/dbraw/zinc/42/51/25/654425125.db2.gz GUNICVMCRPDPBZ-GWOFURMSSA-N 1 0 377.329 2.265 20 0 GEADRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2I)C12CCOCC2 ZINC000923022600 654425236 /nfs/dbraw/zinc/42/52/36/654425236.db2.gz ZQHZOSCVCQNKBA-KGLIPLIRSA-N 1 0 391.224 2.450 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)C2 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O=C(NCCCNc1ccccn1)c1nscc1I ZINC000906740549 654466891 /nfs/dbraw/zinc/46/68/91/654466891.db2.gz XVJRBTHCHIJXMB-UHFFFAOYSA-N 1 0 388.234 2.375 20 0 GEADRO Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000894351001 654468118 /nfs/dbraw/zinc/46/81/18/654468118.db2.gz YDURLUYSCUAQTD-HOTGVXAUSA-N 1 0 396.329 2.498 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1c(F)cc(Br)cc1F)C2 ZINC000906755455 654468350 /nfs/dbraw/zinc/46/83/50/654468350.db2.gz KUDKROWYFLVTIZ-HGNGGELXSA-N 1 0 388.212 2.004 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1c(F)cc(Br)cc1F)C2 ZINC000906755459 654468424 /nfs/dbraw/zinc/46/84/24/654468424.db2.gz KUDKROWYFLVTIZ-SFGNSQDASA-N 1 0 388.212 2.004 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000873822176 654468833 /nfs/dbraw/zinc/46/88/33/654468833.db2.gz YDCKMUIXRGSIJT-UHFFFAOYSA-N 1 0 396.285 2.144 20 0 GEADRO COc1ccc([C@@H](C)NS(=O)(=O)[C@H]2CCC[NH2+]C2)cc1Br ZINC000923582811 654469704 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Cc1nnc(CNc2cccc(S(=O)(=O)NCCCC[NH+](C)C)c2)s1 ZINC000894385647 654472031 /nfs/dbraw/zinc/47/20/31/654472031.db2.gz QBZBLYRMIXASDG-UHFFFAOYSA-N 1 0 383.543 2.079 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000894414231 654473464 /nfs/dbraw/zinc/47/34/64/654473464.db2.gz QJNRZXPJTWPICT-JQWIXIFHSA-N 1 0 385.477 2.446 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2occc2Br)C1 ZINC000923652671 654473728 /nfs/dbraw/zinc/47/37/28/654473728.db2.gz QGSHRPAKMIHZQL-WXHSDQCUSA-N 1 0 393.303 2.092 20 0 GEADRO O=S(=O)(c1cscc1C(F)F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923661459 654474132 /nfs/dbraw/zinc/47/41/32/654474132.db2.gz FSKLLLBLFOTDGT-LBPRGKRZSA-N 1 0 380.482 2.465 20 0 GEADRO CCC(CC)(C[NH2+]Cc1c(I)cnn1C)C(=O)OC ZINC000894426826 654474975 /nfs/dbraw/zinc/47/49/75/654474975.db2.gz FIZZMHXKTMKQNB-UHFFFAOYSA-N 1 0 379.242 2.094 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000894435127 654475883 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CC[C@H](COCC(F)(F)F)[NH2+]Cc1c(I)cnn1C ZINC000894873492 654503494 /nfs/dbraw/zinc/50/34/94/654503494.db2.gz MLDPGMVYCPOYGI-MRVPVSSYSA-N 1 0 391.175 2.472 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000907059477 654505299 /nfs/dbraw/zinc/50/52/99/654505299.db2.gz LVCXDEBIMXYGQJ-CYBMUJFWSA-N 1 0 383.703 2.404 20 0 GEADRO CO[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000907066571 654506379 /nfs/dbraw/zinc/50/63/79/654506379.db2.gz CCOZJVWRFMBZNN-SMDDNHRTSA-N 1 0 391.331 2.161 20 0 GEADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)nc2)C1 ZINC000907083748 654508660 /nfs/dbraw/zinc/50/86/60/654508660.db2.gz ITSMKJJJOQXULE-NWDGAFQWSA-N 1 0 395.718 2.282 20 0 GEADRO C[N@H+]1CC=C(CNS(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000907098055 654509713 /nfs/dbraw/zinc/50/97/13/654509713.db2.gz RJQZEQUZIUYEEY-QGZVFWFLSA-N 1 0 399.354 2.488 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cccn3ncc(Br)c23)C[C@H]1[NH+](C)C ZINC000907146029 654514648 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C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccns1 ZINC000924657845 654522052 /nfs/dbraw/zinc/52/20/52/654522052.db2.gz OJFMWPVWRRNKER-CQSZACIVSA-N 1 0 381.523 2.156 20 0 GEADRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)C1CCN(S(C)(=O)=O)CC1 ZINC000924814923 654525620 /nfs/dbraw/zinc/52/56/20/654525620.db2.gz ULNKRRAWKAUBMT-LSDHHAIUSA-N 1 0 385.599 2.144 20 0 GEADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924888400 654527873 /nfs/dbraw/zinc/52/78/73/654527873.db2.gz XNVSHUGPOWFUQB-HNNXBMFYSA-N 1 0 378.270 2.450 20 0 GEADRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000924905890 654528733 /nfs/dbraw/zinc/52/87/33/654528733.db2.gz FDGQGVIGNVNSEP-SWLSCSKDSA-N 1 0 382.302 2.216 20 0 GEADRO CCOc1ccc([C@]2(C(=O)NC[C@@H]3C[C@H](O)C[N@@H+]3C)CC2(Cl)Cl)cc1 ZINC000924991981 654530900 /nfs/dbraw/zinc/53/09/00/654530900.db2.gz NZSJYINANNEGCK-ZQIUZPCESA-N 1 0 387.307 2.082 20 0 GEADRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000925018673 654531531 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CC[N@@H+]1CC[C@H]1CN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O ZINC000925098848 654533820 /nfs/dbraw/zinc/53/38/20/654533820.db2.gz WBUSASDXOFIHCF-WFASDCNBSA-N 1 0 378.270 2.232 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c3cnc(C)n3C)C2)s1 ZINC000907345735 654534158 /nfs/dbraw/zinc/53/41/58/654534158.db2.gz JDACQPZQRBMJEC-HNNXBMFYSA-N 1 0 382.555 2.241 20 0 GEADRO CCOC(=O)CCS(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907345864 654534194 /nfs/dbraw/zinc/53/41/94/654534194.db2.gz KMQDYZRLNZTYAQ-OAHLLOKOSA-N 1 0 388.555 2.093 20 0 GEADRO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000925141318 654534858 /nfs/dbraw/zinc/53/48/58/654534858.db2.gz CONLWURNLODVAW-HIFRSBDPSA-N 1 0 382.917 2.401 20 0 GEADRO O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925160370 654535535 /nfs/dbraw/zinc/53/55/35/654535535.db2.gz GKPOIIYXOTYEHN-PMPSAXMXSA-N 1 0 387.908 2.392 20 0 GEADRO O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 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C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC000927888566 654619878 /nfs/dbraw/zinc/61/98/78/654619878.db2.gz BFYRLWFTXQQYKH-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC[C@H]1C[NH3+] ZINC000927889437 654620042 /nfs/dbraw/zinc/62/00/42/654620042.db2.gz FDGPOVPDPYXMOJ-ZJUUUORDSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[C@H]1C[NH3+] ZINC000927890286 654620311 /nfs/dbraw/zinc/62/03/11/654620311.db2.gz NVPNGRASMFFGMA-IUCAKERBSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[C@H]1C[NH3+] ZINC000927891255 654620404 /nfs/dbraw/zinc/62/04/04/654620404.db2.gz RQKDTPJFLLSRAD-BDAKNGLRSA-N 1 0 390.228 2.109 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000927891622 654620486 /nfs/dbraw/zinc/62/04/86/654620486.db2.gz ULIUOGIRZZOVFA-VXGBXAGGSA-N 1 0 398.301 2.230 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[C@H]1C[NH3+] ZINC000927893601 654620761 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CC(C)(C[NH+]1CCOCC1)C(=O)Nc1nc2cc(Br)cnc2[nH]1 ZINC000908462189 654631233 /nfs/dbraw/zinc/63/12/33/654631233.db2.gz MIYMINMNOOCOTP-UHFFFAOYSA-N 1 0 382.262 2.017 20 0 GEADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928102595 654631219 /nfs/dbraw/zinc/63/12/19/654631219.db2.gz NIAWPJRFDAZNPI-VBNZEHGJSA-N 1 0 381.929 2.154 20 0 GEADRO CO[C@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)s1 ZINC000908539897 654633500 /nfs/dbraw/zinc/63/35/00/654633500.db2.gz DTSZWKOPOASKBZ-FZMZJTMJSA-N 1 0 391.331 2.161 20 0 GEADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nscc1I)C2 ZINC000908536713 654633506 /nfs/dbraw/zinc/63/35/06/654633506.db2.gz HLMJSKYPDRNGIS-CYBMUJFWSA-N 1 0 391.278 2.306 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)COc2ccccc2Br)CC1 ZINC000908603649 654635386 /nfs/dbraw/zinc/63/53/86/654635386.db2.gz VDHRLAKYIRXEKW-UHFFFAOYSA-N 1 0 385.302 2.179 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)c2cc(I)c(F)cc2F)CC[N@@H+]1C ZINC000928440659 654647527 /nfs/dbraw/zinc/64/75/27/654647527.db2.gz MEMPIINENDGPPR-KRTXAFLBSA-N 1 0 380.176 2.392 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000928442991 654647490 /nfs/dbraw/zinc/64/74/90/654647490.db2.gz CJJCHRAJGZBYTP-UGFHNGPFSA-N 1 0 380.286 2.011 20 0 GEADRO C[C@H]1[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC[N@@H+]1C ZINC000928451100 654647818 /nfs/dbraw/zinc/64/78/18/654647818.db2.gz DLPSZEAJYUHXPS-FZMZJTMJSA-N 1 0 387.933 2.239 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000909047064 654650989 /nfs/dbraw/zinc/65/09/89/654650989.db2.gz DLMLLDJWUANAJH-HNNXBMFYSA-N 1 0 384.293 2.185 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC000909361717 654661249 /nfs/dbraw/zinc/66/12/49/654661249.db2.gz DPCZLKYYGXBAEK-AWEZNQCLSA-N 1 0 381.314 2.121 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1cccnc1 ZINC000928832236 654662016 /nfs/dbraw/zinc/66/20/16/654662016.db2.gz AHOUYKRCVZJUTL-AWEZNQCLSA-N 1 0 379.258 2.368 20 0 GEADRO CN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000929121566 654672225 /nfs/dbraw/zinc/67/22/25/654672225.db2.gz JZGGNZZUBHTVNL-AWEZNQCLSA-N 1 0 380.286 2.428 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2nscc2I)C1 ZINC000909913738 654681664 /nfs/dbraw/zinc/68/16/64/654681664.db2.gz HJGJWEKVSQTGRM-VIFPVBQESA-N 1 0 379.267 2.209 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2nscc2I)C1 ZINC000909913737 654681701 /nfs/dbraw/zinc/68/17/01/654681701.db2.gz HJGJWEKVSQTGRM-SECBINFHSA-N 1 0 379.267 2.209 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1cc(=O)[nH]cc1Br)Cc1ccccc1 ZINC000929469750 654685164 /nfs/dbraw/zinc/68/51/64/654685164.db2.gz VIMKUFAPIDAVJO-ZDUSSCGKSA-N 1 0 378.270 2.452 20 0 GEADRO C[C@@H]1C[C@H](C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000929630949 654689183 /nfs/dbraw/zinc/68/91/83/654689183.db2.gz AUXUHJLYLILZIC-WDNDVIMCSA-N 1 0 386.480 2.478 20 0 GEADRO CC[N@H+](CCOc1ccc(Br)cc1)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929716472 654690851 /nfs/dbraw/zinc/69/08/51/654690851.db2.gz 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CC(C)N1CC[NH+](C2CCN(Cc3ccc(Br)nc3N)CC2)CC1 ZINC000930130872 654699971 /nfs/dbraw/zinc/69/99/71/654699971.db2.gz YHTQTUXPMOJDJA-UHFFFAOYSA-N 1 0 396.377 2.417 20 0 GEADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000930143867 654700319 /nfs/dbraw/zinc/70/03/19/654700319.db2.gz BHZAYYDRYJTYBM-SWLSCSKDSA-N 1 0 396.329 2.015 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000930204803 654701816 /nfs/dbraw/zinc/70/18/16/654701816.db2.gz POCXATDHEKXZGS-UHFFFAOYSA-N 1 0 390.272 2.485 20 0 GEADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000930214762 654702324 /nfs/dbraw/zinc/70/23/24/654702324.db2.gz WOOAMNOOJIWIKS-JOYOIKCWSA-N 1 0 390.374 2.194 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000930295777 654704928 /nfs/dbraw/zinc/70/49/28/654704928.db2.gz MMUZPZXSDKWCSV-LBPRGKRZSA-N 1 0 385.306 2.343 20 0 GEADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ccncc2Br)CC1 ZINC000910863981 654712931 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GEADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1Br ZINC000930702030 654717562 /nfs/dbraw/zinc/71/75/62/654717562.db2.gz ICSFDICLZZLLMA-IINYFYTJSA-N 1 0 382.258 2.404 20 0 GEADRO O[C@H](C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br)C[C@]1(O)CCOC1 ZINC000930754445 654719208 /nfs/dbraw/zinc/71/92/08/654719208.db2.gz XBSDEMQQFIAYGJ-SOLBZPMBSA-N 1 0 384.314 2.358 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000911255933 654720865 /nfs/dbraw/zinc/72/08/65/654720865.db2.gz OKRALQZUGVODME-DFKRKDTASA-N 1 0 398.276 2.009 20 0 GEADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)NC1CCC([NH3+])CC1)CC2 ZINC000911282265 654721337 /nfs/dbraw/zinc/72/13/37/654721337.db2.gz SIYKWDBWSFTMIL-UHFFFAOYSA-N 1 0 394.313 2.028 20 0 GEADRO O=C(NCc1ccccc1SC(F)(F)F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000911303913 654721684 /nfs/dbraw/zinc/72/16/84/654721684.db2.gz UBKHOHPJUISFRJ-LBPRGKRZSA-N 1 0 375.416 2.173 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2SC(F)(F)F)C1 ZINC000911309518 654721981 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20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911557712 654726155 /nfs/dbraw/zinc/72/61/55/654726155.db2.gz PYGOWIYEROSITK-GFCCVEGCSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2SC(F)(F)F)CC[C@@H]1[NH3+] ZINC000911575226 654726837 /nfs/dbraw/zinc/72/68/37/654726837.db2.gz GYBXDBNKGHCEGT-PWSUYJOCSA-N 1 0 375.416 2.110 20 0 GEADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C1(C)C ZINC000911580614 654726920 /nfs/dbraw/zinc/72/69/20/654726920.db2.gz SOHDKRAQOXXTBM-KBPBESRZSA-N 1 0 382.302 2.404 20 0 GEADRO CN1CCN(C(=O)Nc2cc(F)cc(F)c2Br)CC[N@H+](C)CC1 ZINC000931028186 654727269 /nfs/dbraw/zinc/72/72/69/654727269.db2.gz ZRPHBBHCIHLNGZ-UHFFFAOYSA-N 1 0 391.260 2.438 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000911632914 654728256 /nfs/dbraw/zinc/72/82/56/654728256.db2.gz DKWVOMPGFXHOEZ-AAEUAGOBSA-N 1 0 380.286 2.333 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000911633927 654728329 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C[C@@H](NC(=O)c1cnnn1-c1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000911717101 654730414 /nfs/dbraw/zinc/73/04/14/654730414.db2.gz BKNQASWOYVMZIZ-VXGBXAGGSA-N 1 0 378.274 2.148 20 0 GEADRO C[C@H](NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)[C@@H]1CCC[NH2+]C1 ZINC000911726574 654730633 /nfs/dbraw/zinc/73/06/33/654730633.db2.gz UAWMWGKZSIXIJV-LOWVWBTDSA-N 1 0 380.286 2.379 20 0 GEADRO COc1ccc(Br)cc1[C@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911735581 654730903 /nfs/dbraw/zinc/73/09/03/654730903.db2.gz WNVRRAFYRHZNSJ-KRWDZBQOSA-N 1 0 392.297 2.275 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000911753273 654731140 /nfs/dbraw/zinc/73/11/40/654731140.db2.gz LHGHHZVXXNWBSH-LLVKDONJSA-N 1 0 378.274 2.229 20 0 GEADRO Cc1ccc(Br)c2[nH]c(C(=O)N(C)CCN3CC[NH2+]CC3)cc21 ZINC000911773161 654731629 /nfs/dbraw/zinc/73/16/29/654731629.db2.gz AYVXIFUQJLXXRO-UHFFFAOYSA-N 1 0 379.302 2.216 20 0 GEADRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)nnn1-c1ccccc1Br ZINC000911796687 654732193 /nfs/dbraw/zinc/73/21/93/654732193.db2.gz PHWSKJXKYIHQOS-GHMZBOCLSA-N 1 0 378.274 2.161 20 0 GEADRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)nnn1-c1ccccc1Br ZINC000911817547 654733047 /nfs/dbraw/zinc/73/30/47/654733047.db2.gz IALWGCGBOQWBRA-MFKMUULPSA-N 1 0 378.274 2.148 20 0 GEADRO Cn1cc(Br)c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1=O ZINC000931265951 654736119 /nfs/dbraw/zinc/73/61/19/654736119.db2.gz UNVLJXKYYPUHMH-UHFFFAOYSA-N 1 0 394.269 2.341 20 0 GEADRO O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000911926223 654736370 /nfs/dbraw/zinc/73/63/70/654736370.db2.gz QSCVOWSGHDHRHL-INIZCTEOSA-N 1 0 377.491 2.106 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CCSCCC[NH3+])ccc1C ZINC000911948075 654737435 /nfs/dbraw/zinc/73/74/35/654737435.db2.gz OQIYZJODUFNSFZ-UHFFFAOYSA-N 1 0 387.571 2.436 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(=O)n(C)cc1Br ZINC000931346623 654738897 /nfs/dbraw/zinc/73/88/97/654738897.db2.gz KWUQVNGSLGQEBL-UHFFFAOYSA-N 1 0 392.297 2.482 20 0 GEADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccn(CCC[NH3+])n1 ZINC000912017610 654739807 /nfs/dbraw/zinc/73/98/07/654739807.db2.gz WQFGOXXCABJMNW-UHFFFAOYSA-N 1 0 384.267 2.249 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000912065335 654741837 /nfs/dbraw/zinc/74/18/37/654741837.db2.gz MUBPQTNMQVCZDK-MRVPVSSYSA-N 1 0 383.386 2.111 20 0 GEADRO CC(C)NC(=O)CN(C)C(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912090132 654742833 /nfs/dbraw/zinc/74/28/33/654742833.db2.gz KYYDOUAAHYLNEH-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000912113244 654743156 /nfs/dbraw/zinc/74/31/56/654743156.db2.gz MNXCFQYXVBQBKV-IJEWVQPXSA-N 1 0 375.270 2.488 20 0 GEADRO Cc1cc(NC(=O)CN2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000931485901 654743662 /nfs/dbraw/zinc/74/36/62/654743662.db2.gz SAUBATHAILMVEX-UHFFFAOYSA-N 1 0 384.318 2.085 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@](C)(C[NH3+])CC(C)C)s1 ZINC000912168416 654744578 /nfs/dbraw/zinc/74/45/78/654744578.db2.gz HISVRBUFCNOYQD-QGZVFWFLSA-N 1 0 389.587 2.406 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)N[C@H](c2ccccc2)C2CC2)c1=O ZINC000912171724 654744799 /nfs/dbraw/zinc/74/47/99/654744799.db2.gz ZKHOACPHTYVDJG-MRXNPFEDSA-N 1 0 390.281 2.451 20 0 GEADRO COC(=O)[C@@H]1CN(c2ccc(-c3nnc(Br)o3)cc2)CC[N@H+](C)C1 ZINC000912201315 654745867 /nfs/dbraw/zinc/74/58/67/654745867.db2.gz UDBPNOGZYACVLM-LBPRGKRZSA-N 1 0 395.257 2.040 20 0 GEADRO CCc1ccc(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000931585618 654747886 /nfs/dbraw/zinc/74/78/86/654747886.db2.gz XWTGPAMITIQAQR-CQSZACIVSA-N 1 0 396.329 2.329 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)Nc1ccccc1SC(F)(F)F ZINC000912256079 654748174 /nfs/dbraw/zinc/74/81/74/654748174.db2.gz QWEDGAVSCFPYEX-NRUUGDAUSA-N 1 0 394.440 2.260 20 0 GEADRO COc1ccccc1C[C@@](C)(CO)[NH2+]C[C@H](O)c1cc(Br)no1 ZINC000931599416 654748607 /nfs/dbraw/zinc/74/86/07/654748607.db2.gz CFNKSUVVMPBXFH-LRDDRELGSA-N 1 0 385.258 2.062 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000912289051 654748962 /nfs/dbraw/zinc/74/89/62/654748962.db2.gz IUJATQAENDDWLI-JGGQBBKZSA-N 1 0 382.291 2.418 20 0 GEADRO C[C@]12CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C2(Br)Br ZINC000912297064 654749180 /nfs/dbraw/zinc/74/91/80/654749180.db2.gz XYIQYYQRGWJTJN-PWSUYJOCSA-N 1 0 392.135 2.437 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000931627828 654749593 /nfs/dbraw/zinc/74/95/93/654749593.db2.gz RNFULKBIIPEITL-UHFFFAOYSA-N 1 0 395.301 2.002 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@]2(C)C[NH+]3CCC2CC3)C(F)(F)F)n1 ZINC000912380464 654751653 /nfs/dbraw/zinc/75/16/53/654751653.db2.gz SUPHOYCYXQZKPR-HUUCEWRRSA-N 1 0 377.432 2.192 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000912394268 654752187 /nfs/dbraw/zinc/75/21/87/654752187.db2.gz LQMFHCKSHWUHAP-MWQQHZPXSA-N 1 0 382.913 2.026 20 0 GEADRO COC1(OC)CCOC[C@@H]1[NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000931670684 654752278 /nfs/dbraw/zinc/75/22/78/654752278.db2.gz NJAGQOQRKMYPMJ-LFVRLGFBSA-N 1 0 382.309 2.469 20 0 GEADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ncc(Br)cn2)cc1 ZINC000931760693 654755915 /nfs/dbraw/zinc/75/59/15/654755915.db2.gz JRMFJZQPGWNJTJ-UHFFFAOYSA-N 1 0 379.258 2.110 20 0 GEADRO CC[N@H+](CCNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C1CC1 ZINC000931835775 654758733 /nfs/dbraw/zinc/75/87/33/654758733.db2.gz JTSOXYZQYSSMFQ-AWEZNQCLSA-N 1 0 380.286 2.475 20 0 GEADRO Cc1nc(Br)sc1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912588431 654760136 /nfs/dbraw/zinc/76/01/36/654760136.db2.gz FWIIQTOPWCMJNA-UHFFFAOYSA-N 1 0 390.347 2.427 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2nc(F)ccc2Br)CC1 ZINC000912589203 654760218 /nfs/dbraw/zinc/76/02/18/654760218.db2.gz RJTHZLYTWLSPEV-UHFFFAOYSA-N 1 0 388.281 2.196 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000912606580 654760767 /nfs/dbraw/zinc/76/07/67/654760767.db2.gz SAATXTIYJVBZNQ-UHFFFAOYSA-N 1 0 380.901 2.277 20 0 GEADRO Cc1sc2nc(C)nc(SCC(=O)N(C)CC[N@H+](C)CCO)c2c1C ZINC000912611665 654760970 /nfs/dbraw/zinc/76/09/70/654760970.db2.gz SKGFUAGBPQPNGT-UHFFFAOYSA-N 1 0 382.555 2.091 20 0 GEADRO CCO[C@@H](CNC(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)C[NH+](C)C ZINC000931893896 654761112 /nfs/dbraw/zinc/76/11/12/654761112.db2.gz JNHQPVKHWFPTGA-JTQLQIEISA-N 1 0 386.909 2.285 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000931999797 654763618 /nfs/dbraw/zinc/76/36/18/654763618.db2.gz UQQKMZAIKDTWNY-WFASDCNBSA-N 1 0 381.270 2.397 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000932150170 654768092 /nfs/dbraw/zinc/76/80/92/654768092.db2.gz NZDCSQIUKXBOHL-ZDUSSCGKSA-N 1 0 393.285 2.233 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C(C)C)ncc2Br)C1 ZINC000932149723 654768248 /nfs/dbraw/zinc/76/82/48/654768248.db2.gz KSUPYBJMADXSPC-GFCCVEGCSA-N 1 0 385.306 2.203 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@@H](Cc2nccs2)C1)NC(=O)NCC(F)(F)F ZINC000932197946 654769855 /nfs/dbraw/zinc/76/98/55/654769855.db2.gz JKAXWPWOZCBJTL-NSHDSACASA-N 1 0 378.420 2.176 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932209252 654770408 /nfs/dbraw/zinc/77/04/08/654770408.db2.gz ULZNDYBAFVERRE-CYBMUJFWSA-N 1 0 377.304 2.192 20 0 GEADRO O=C(Nc1ccc2c(c1)SCC(=O)N2)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000932216075 654770687 /nfs/dbraw/zinc/77/06/87/654770687.db2.gz RGUAQYDKBXSAGD-TZMCWYRMSA-N 1 0 378.523 2.432 20 0 GEADRO O=C(c1ccc(I)cc1O)N1CCC([NH+]2CCC2)CC1 ZINC000912884612 654772509 /nfs/dbraw/zinc/77/25/09/654772509.db2.gz AOAIMTXTSTZCSI-UHFFFAOYSA-N 1 0 386.233 2.307 20 0 GEADRO CCOc1ccc(Br)c(C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1F ZINC000932263741 654773580 /nfs/dbraw/zinc/77/35/80/654773580.db2.gz TVEBCWBYXKGDIZ-NSHDSACASA-N 1 0 389.265 2.437 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH+]2CCC2)C1)c1ccc(Br)cc1 ZINC000912923873 654774494 /nfs/dbraw/zinc/77/44/94/654774494.db2.gz LMJOBHQGQNNCCG-IRXDYDNUSA-N 1 0 394.313 2.323 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000932426061 654777120 /nfs/dbraw/zinc/77/71/20/654777120.db2.gz CAUSTTGDAWYFAG-UHFFFAOYSA-N 1 0 380.290 2.486 20 0 GEADRO COC(=O)c1cnc([C@@H]2CC[N@H+](C[C@@H](O)COCc3cccs3)C2)s1 ZINC000932660552 654784639 /nfs/dbraw/zinc/78/46/39/654784639.db2.gz QINCPILSMFUFKZ-CHWSQXEVSA-N 1 0 382.507 2.358 20 0 GEADRO C[C@H](CNC(=O)c1cc(F)cc(Br)c1F)N1CC[NH+](C)CC1 ZINC000932722946 654787016 /nfs/dbraw/zinc/78/70/16/654787016.db2.gz GUZYLEHPICILAG-SNVBAGLBSA-N 1 0 376.245 2.093 20 0 GEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3c(Br)nc4n3CCCC4)C[C@]2(C)C1 ZINC000913276401 654787620 /nfs/dbraw/zinc/78/76/20/654787620.db2.gz ILLBPLWOPZYJMQ-IRXDYDNUSA-N 1 0 381.318 2.396 20 0 GEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3csc(I)n3)C[C@@]2(C)C1 ZINC000913276703 654787756 /nfs/dbraw/zinc/78/77/56/654787756.db2.gz KYQZMHXOUHCPKW-BETUJISGSA-N 1 0 391.278 2.162 20 0 GEADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000913388282 654790110 /nfs/dbraw/zinc/79/01/10/654790110.db2.gz XOQNKHJZCOBWSV-UHFFFAOYSA-N 1 0 393.285 2.466 20 0 GEADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000913394731 654790202 /nfs/dbraw/zinc/79/02/02/654790202.db2.gz NTBQBECBNGQHOI-UHFFFAOYSA-N 1 0 396.289 2.238 20 0 GEADRO CN(CC(=O)N1CCC(C)([NH+](C)C)CC1)C(=O)c1ccc(Br)o1 ZINC000913398520 654790207 /nfs/dbraw/zinc/79/02/07/654790207.db2.gz MPVGAGJKCOWXFF-UHFFFAOYSA-N 1 0 386.290 2.057 20 0 GEADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](CCCN2CCOCC2)C1 ZINC000932809475 654791295 /nfs/dbraw/zinc/79/12/95/654791295.db2.gz KLMGWGCJLCYTMW-GOSISDBHSA-N 1 0 383.330 2.455 20 0 GEADRO C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932814036 654791540 /nfs/dbraw/zinc/79/15/40/654791540.db2.gz ANAUXHCLOKFHPX-CRAIPNDOSA-N 1 0 383.330 2.453 20 0 GEADRO C[C@@H]1CN(CC[N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)CCO1 ZINC000932818201 654792109 /nfs/dbraw/zinc/79/21/09/654792109.db2.gz QBZNUCYBKLUZHX-QAPCUYQASA-N 1 0 383.330 2.453 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)NCC2([NH+](C)C)CCOCC2)n1 ZINC000932825074 654792449 /nfs/dbraw/zinc/79/24/49/654792449.db2.gz TWAVWWKGMIGZOP-UHFFFAOYSA-N 1 0 385.306 2.203 20 0 GEADRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000932952960 654797091 /nfs/dbraw/zinc/79/70/91/654797091.db2.gz SNTRYNBYBSRQKR-NSHDSACASA-N 1 0 384.299 2.108 20 0 GEADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000913539230 654797245 /nfs/dbraw/zinc/79/72/45/654797245.db2.gz KKWDISUOUMHHCB-BETUJISGSA-N 1 0 381.270 2.068 20 0 GEADRO CCOC(=O)CCCCC[N@@H+]1CCn2ncc(I)c2C1 ZINC000933110015 654802091 /nfs/dbraw/zinc/80/20/91/654802091.db2.gz JIDCEHXZMQPSDX-UHFFFAOYSA-N 1 0 391.253 2.427 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC12CC[NH+](CC1)C2 ZINC000913625633 654802187 /nfs/dbraw/zinc/80/21/87/654802187.db2.gz YKFSVDBJVWRRNK-OAHLLOKOSA-N 1 0 381.929 2.156 20 0 GEADRO Cc1ccc(OCCC(=O)N2CCC(O)(C[NH+](C)C)CC2)c(Br)c1 ZINC000913681255 654803963 /nfs/dbraw/zinc/80/39/63/654803963.db2.gz YSMNCKXJARKHTR-UHFFFAOYSA-N 1 0 399.329 2.442 20 0 GEADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000933164288 654803961 /nfs/dbraw/zinc/80/39/61/654803961.db2.gz JIBXJOVHCJHYNH-CYBMUJFWSA-N 1 0 382.302 2.383 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000913683748 654804243 /nfs/dbraw/zinc/80/42/43/654804243.db2.gz QPRWBLQHYFJWSF-USXIJHARSA-N 1 0 393.325 2.250 20 0 GEADRO O=C(Cc1ccc(Br)s1)N1CC[NH+](CCCCCO)CC1 ZINC000913691283 654804695 /nfs/dbraw/zinc/80/46/95/654804695.db2.gz QYJGJEWDKFLAHO-UHFFFAOYSA-N 1 0 375.332 2.360 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1=O ZINC000933260011 654805683 /nfs/dbraw/zinc/80/56/83/654805683.db2.gz ALGLAPMDBRFNEK-CYBMUJFWSA-N 1 0 382.302 2.238 20 0 GEADRO COc1ncc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000913825920 654810940 /nfs/dbraw/zinc/81/09/40/654810940.db2.gz VWAMLWCUDSVHRF-DZGCQCFKSA-N 1 0 379.507 2.457 20 0 GEADRO COc1ncc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000913825921 654811047 /nfs/dbraw/zinc/81/10/47/654811047.db2.gz VWAMLWCUDSVHRF-HIFRSBDPSA-N 1 0 379.507 2.457 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)NCCCn1ccnc1 ZINC000913825246 654811112 /nfs/dbraw/zinc/81/11/12/654811112.db2.gz VEGFTMAPJQQWIK-UHFFFAOYSA-N 1 0 376.251 2.294 20 0 GEADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000933431973 654812659 /nfs/dbraw/zinc/81/26/59/654812659.db2.gz NVHFFHWEKHVILZ-KRWDZBQOSA-N 1 0 386.876 2.210 20 0 GEADRO C[C@H](C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1)CS(C)(=O)=O ZINC000933436295 654812949 /nfs/dbraw/zinc/81/29/49/654812949.db2.gz CJFHXJFFQRZOCH-DOMZBBRYSA-N 1 0 378.332 2.013 20 0 GEADRO C[C@@H](C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1)CS(C)(=O)=O ZINC000933436301 654812951 /nfs/dbraw/zinc/81/29/51/654812951.db2.gz CJFHXJFFQRZOCH-WFASDCNBSA-N 1 0 378.332 2.013 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CCCCS(C)(=O)=O ZINC000933438182 654813430 /nfs/dbraw/zinc/81/34/30/654813430.db2.gz TUWOOURRSAKKPD-HNNXBMFYSA-N 1 0 378.332 2.157 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2ncc(Br)cn2)Cc2ccccc2C1 ZINC000933453694 654813839 /nfs/dbraw/zinc/81/38/39/654813839.db2.gz RNPGHPMCRGDTTM-UHFFFAOYSA-N 1 0 375.270 2.068 20 0 GEADRO C[N@H+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933466279 654814410 /nfs/dbraw/zinc/81/44/10/654814410.db2.gz YZQLHIQNORGUCB-WDEREUQCSA-N 1 0 390.278 2.412 20 0 GEADRO CN(C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)[C@@H]1CCC[N@H+](C)C1 ZINC000933486343 654815019 /nfs/dbraw/zinc/81/50/19/654815019.db2.gz OOMAZUYRCWKRDR-YPMHNXCESA-N 1 0 380.286 2.428 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCCC(C)(F)F)CC1 ZINC000914024466 654822180 /nfs/dbraw/zinc/82/21/80/654822180.db2.gz HLNGJKLTGAHOKN-HZPDHXFCSA-N 1 0 381.533 2.242 20 0 GEADRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914065632 654824464 /nfs/dbraw/zinc/82/44/64/654824464.db2.gz AIJWGSLLNJQDRQ-OIRASMEMSA-N 1 0 399.460 2.162 20 0 GEADRO Cn1ncc(NC(=O)NC(C)(C)C[NH+]2CCCC2)c1I ZINC000933741632 654825174 /nfs/dbraw/zinc/82/51/74/654825174.db2.gz ZEGCQUKJOBVCQE-UHFFFAOYSA-N 1 0 391.257 2.021 20 0 GEADRO CN(C1CC[NH+](CCn2cccn2)CC1)S(=O)(=O)CCCC(C)(F)F ZINC000914086320 654825601 /nfs/dbraw/zinc/82/56/01/654825601.db2.gz COZXIIMGLQMPOY-UHFFFAOYSA-N 1 0 378.489 2.045 20 0 GEADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)Oc1cccc(Br)c1 ZINC000933747408 654826432 /nfs/dbraw/zinc/82/64/32/654826432.db2.gz WGMSRHVXNJPCNT-ZDUSSCGKSA-N 1 0 385.302 2.443 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)NCc2cn(C)nc2Br)CC1 ZINC000914097425 654826541 /nfs/dbraw/zinc/82/65/41/654826541.db2.gz WUAMBJHMCZMSQZ-UHFFFAOYSA-N 1 0 386.338 2.494 20 0 GEADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000914111457 654827356 /nfs/dbraw/zinc/82/73/56/654827356.db2.gz HOGMUUGHJWKKGU-LLVKDONJSA-N 1 0 379.295 2.302 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000914158074 654830469 /nfs/dbraw/zinc/83/04/69/654830469.db2.gz IOCJSDXHBQEDNT-CVEARBPZSA-N 1 0 393.336 2.432 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933975393 654832277 /nfs/dbraw/zinc/83/22/77/654832277.db2.gz FVFGRYKLNWRYND-LSDHHAIUSA-N 1 0 377.447 2.485 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)c1cscc1C(F)F)N1CC[NH+](C)CC1 ZINC000914187011 654833508 /nfs/dbraw/zinc/83/35/08/654833508.db2.gz FLMIHDLXYNZFMV-CYBMUJFWSA-N 1 0 381.514 2.236 20 0 GEADRO C[C@@H](NC(=O)CN1CCN(C)CC[N@H+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000934000914 654833847 /nfs/dbraw/zinc/83/38/47/654833847.db2.gz UFOJGNQFWKZLLX-CQSZACIVSA-N 1 0 387.355 2.350 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2(n3cc(Br)cn3)CC2)C1 ZINC000934002037 654833959 /nfs/dbraw/zinc/83/39/59/654833959.db2.gz PVSOTQFZUPTNGG-HNNXBMFYSA-N 1 0 399.333 2.094 20 0 GEADRO COC(=O)C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C(C)(C)C ZINC000934028635 654834462 /nfs/dbraw/zinc/83/44/62/654834462.db2.gz GRXVQPHAJVVBBU-CYBMUJFWSA-N 1 0 396.289 2.492 20 0 GEADRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000934040157 654834705 /nfs/dbraw/zinc/83/47/05/654834705.db2.gz INRHYHVHOSZEFF-CHWSQXEVSA-N 1 0 377.666 2.435 20 0 GEADRO O=C(c1nc(Br)c2ccccn21)N1CC[NH+](C2CCOCC2)CC1 ZINC000934043231 654834813 /nfs/dbraw/zinc/83/48/13/654834813.db2.gz HUASURWQJUVFQK-UHFFFAOYSA-N 1 0 393.285 2.034 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cnc(OC)s1 ZINC000914234426 654837289 /nfs/dbraw/zinc/83/72/89/654837289.db2.gz QUFZYMRTLBZSSQ-UHFFFAOYSA-N 1 0 389.465 2.437 20 0 GEADRO C[NH+](C)CCCOC1CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000934165096 654837390 /nfs/dbraw/zinc/83/73/90/654837390.db2.gz QXKWSZCSKQMSQO-UHFFFAOYSA-N 1 0 399.333 2.094 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1F ZINC000914241875 654838222 /nfs/dbraw/zinc/83/82/22/654838222.db2.gz VIUCOJQBJFWUKX-MWLCHTKSSA-N 1 0 395.294 2.167 20 0 GEADRO CCO[C@H](CNC(=O)NCc1cc(OC)ccc1Br)C[NH+](C)C ZINC000914259312 654839583 /nfs/dbraw/zinc/83/95/83/654839583.db2.gz PPFPKHCYLPGIKF-CQSZACIVSA-N 1 0 388.306 2.224 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000934263252 654841069 /nfs/dbraw/zinc/84/10/69/654841069.db2.gz NXZNKNKBBKWSIX-UHFFFAOYSA-N 1 0 386.338 2.500 20 0 GEADRO OCCN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000934267338 654841842 /nfs/dbraw/zinc/84/18/42/654841842.db2.gz AJRLGYWKSFYZHH-KBAYOESNSA-N 1 0 389.323 2.264 20 0 GEADRO OCCN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000934267334 654841900 /nfs/dbraw/zinc/84/19/00/654841900.db2.gz AJRLGYWKSFYZHH-CGTJXYLNSA-N 1 0 389.323 2.264 20 0 GEADRO O=C(CC[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO)Nc1ccccc1Br ZINC000934268187 654842118 /nfs/dbraw/zinc/84/21/18/654842118.db2.gz STSDGBOPRMDCBY-IAGOWNOFSA-N 1 0 396.329 2.309 20 0 GEADRO CN([C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CC1(F)CC1 ZINC000914289535 654842285 /nfs/dbraw/zinc/84/22/85/654842285.db2.gz PZYGIUFPNOZYKS-SJORKVTESA-N 1 0 375.554 2.087 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3occc3Br)C2)CC1 ZINC000914292783 654842699 /nfs/dbraw/zinc/84/26/99/654842699.db2.gz ABHOMHOVYSMCNP-GFCCVEGCSA-N 1 0 377.304 2.395 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1nc(C(C)C)ncc1Br ZINC000934383460 654848615 /nfs/dbraw/zinc/84/86/15/654848615.db2.gz ATZWLMGXXHEILV-GFCCVEGCSA-N 1 0 387.322 2.449 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc2cc(Br)cnc2n1C ZINC000934386222 654848670 /nfs/dbraw/zinc/84/86/70/654848670.db2.gz UYCBJYURZHNPKI-AWEZNQCLSA-N 1 0 397.317 2.422 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1cccc(Br)c1 ZINC000934410231 654849274 /nfs/dbraw/zinc/84/92/74/654849274.db2.gz NVQZYGXTHKSRFR-GOEBONIOSA-N 1 0 386.286 2.117 20 0 GEADRO C[C@@](CO)([NH2+]CC(=O)NC(=O)NC1CCCC1)c1cccc(Br)c1 ZINC000934498099 654851442 /nfs/dbraw/zinc/85/14/42/654851442.db2.gz YEOZIDBOYLYYMV-KRWDZBQOSA-N 1 0 398.301 2.015 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000914713538 654856732 /nfs/dbraw/zinc/85/67/32/654856732.db2.gz NJNRWQVGJAQETG-GFCCVEGCSA-N 1 0 378.274 2.244 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc(Br)cc1OC(F)F ZINC000934742035 654857172 /nfs/dbraw/zinc/85/71/72/654857172.db2.gz KCOFBVNQRKUNLH-SNVBAGLBSA-N 1 0 394.216 2.239 20 0 GEADRO CN(CCC[NH2+]Cc1c(-c2ccccc2)nc2sccn21)S(C)(=O)=O ZINC000915256761 654866620 /nfs/dbraw/zinc/86/66/20/654866620.db2.gz KVDFFXQKJLBCKL-UHFFFAOYSA-N 1 0 378.523 2.434 20 0 GEADRO CC[NH+](CC)CCOC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000915280073 654867340 /nfs/dbraw/zinc/86/73/40/654867340.db2.gz BTJJARVYNOISPU-UHFFFAOYSA-N 1 0 399.285 2.450 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(Br)cnn2c1 ZINC000934955559 654868057 /nfs/dbraw/zinc/86/80/57/654868057.db2.gz VYSMRKNGXNBMTO-CQSZACIVSA-N 1 0 395.301 2.064 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935089365 654875104 /nfs/dbraw/zinc/87/51/04/654875104.db2.gz KCLNMGPGEROLEG-WDMOLILDSA-N 1 0 380.286 2.426 20 0 GEADRO Cn1cc(Br)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1=O ZINC000935119440 654877055 /nfs/dbraw/zinc/87/70/55/654877055.db2.gz RWMLBYPFYVZYOZ-WBVHZDCISA-N 1 0 390.281 2.323 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cn2ncnc12 ZINC000935152547 654878803 /nfs/dbraw/zinc/87/88/03/654878803.db2.gz VEYDGLYTNLLFIQ-NSHDSACASA-N 1 0 380.290 2.294 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)Cc3ccsc3Br)C2)C1 ZINC000915849669 654880757 /nfs/dbraw/zinc/88/07/57/654880757.db2.gz HQOPILCGKJNPTQ-CYBMUJFWSA-N 1 0 379.345 2.368 20 0 GEADRO C[NH+]1CCC2(CCC(NS(=O)(=O)c3c[nH]nc3C(F)(F)F)CC2)CC1 ZINC000915970484 654883706 /nfs/dbraw/zinc/88/37/06/654883706.db2.gz WBDZQDMLYQKNHI-UHFFFAOYSA-N 1 0 380.436 2.361 20 0 GEADRO C[C@H](CCNC(=O)c1cc(Br)cn2ncnc12)[NH+]1CCCCC1 ZINC000935360065 654889624 /nfs/dbraw/zinc/88/96/24/654889624.db2.gz NOHYMNGVGUOGFX-GFCCVEGCSA-N 1 0 380.290 2.486 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935438658 654893451 /nfs/dbraw/zinc/89/34/51/654893451.db2.gz IVYTVEZHIDLWTM-CYBMUJFWSA-N 1 0 380.286 2.428 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935482629 654896109 /nfs/dbraw/zinc/89/61/09/654896109.db2.gz NFPOSUSOCIRJQR-MRVWCRGKSA-N 1 0 380.286 2.474 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1C(=O)Nc3ccc(Br)cc31)C2 ZINC000935667251 654909642 /nfs/dbraw/zinc/90/96/42/654909642.db2.gz SHRPTTBWAFMYQO-ZDUSSCGKSA-N 1 0 378.270 2.039 20 0 GEADRO O=C(c1nccc2c(Br)cccc21)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935982166 654931605 /nfs/dbraw/zinc/93/16/05/654931605.db2.gz BREKJBWZZDJHDI-QWHCGFSZSA-N 1 0 390.281 2.278 20 0 GEADRO O=C(c1cc(Br)cnc1C1CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000935982742 654931661 /nfs/dbraw/zinc/93/16/61/654931661.db2.gz FKYFDGYJTFVKMB-KBPBESRZSA-N 1 0 380.286 2.003 20 0 GEADRO CCOc1ccc(Br)c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1F ZINC000935986342 654932211 /nfs/dbraw/zinc/93/22/11/654932211.db2.gz SBDHRGWYYLFLCZ-LLVKDONJSA-N 1 0 389.265 2.173 20 0 GEADRO CSC1(CNC(=O)C2(n3cc(Br)cn3)CC2)CC[NH+](C)CC1 ZINC000936042030 654934707 /nfs/dbraw/zinc/93/47/07/654934707.db2.gz KAFYZVGRQHXZCJ-UHFFFAOYSA-N 1 0 387.347 2.078 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3scnc3Cl)C[C@H]2C)CC[N@@H+]1C ZINC000949237909 654939405 /nfs/dbraw/zinc/93/94/05/654939405.db2.gz XQEOMPTYQWQYHF-YVECIDJPSA-N 1 0 384.933 2.104 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000956780492 654940244 /nfs/dbraw/zinc/94/02/44/654940244.db2.gz IOHRMLCFRASBJB-GFCCVEGCSA-N 1 0 394.313 2.310 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cscc4Cl)[C@@H]3C2)CC[N@@H+]1C ZINC000972687279 654942305 /nfs/dbraw/zinc/94/23/05/654942305.db2.gz QPBCTYYLNCYKSG-BRXULGCHSA-N 1 0 381.929 2.415 20 0 GEADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncc(Cl)s2)C3)CCC1 ZINC000998331914 654951366 /nfs/dbraw/zinc/95/13/66/654951366.db2.gz MOZOBDOSOYNVJH-WOPDTQHZSA-N 1 0 382.917 2.143 20 0 GEADRO O=C1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)CC2(CC[NH2+]CC2)N1 ZINC001164390490 718809366 /nfs/dbraw/zinc/80/93/66/718809366.db2.gz 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Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172293568 531944553 /nfs/dbraw/zinc/94/45/53/531944553.db2.gz GYXWMKMCISUVBK-CYBMUJFWSA-N 1 0 382.302 2.415 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000172313160 531945807 /nfs/dbraw/zinc/94/58/07/531945807.db2.gz VJBWWCBOYOSDQB-CYBMUJFWSA-N 1 0 385.302 2.179 20 0 GEADRO C[N@H+](CCCO)C1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000172304472 531946184 /nfs/dbraw/zinc/94/61/84/531946184.db2.gz UADIYJICROAZNJ-UHFFFAOYSA-N 1 0 385.302 2.456 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2cc(F)ccc2Br)CCOCC1 ZINC000172223832 531940023 /nfs/dbraw/zinc/94/00/23/531940023.db2.gz YLYIOHATXGHYOZ-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO Cn1c(=O)cc(C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)n(C)c1=O ZINC000172586647 531958977 /nfs/dbraw/zinc/95/89/77/531958977.db2.gz FBNXJKHPOUJHFR-UHFFFAOYSA-N 1 0 392.297 2.010 20 0 GEADRO COC[C@H](C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000117912713 531961461 /nfs/dbraw/zinc/96/14/61/531961461.db2.gz 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20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000120853466 531997186 /nfs/dbraw/zinc/99/71/86/531997186.db2.gz SQFYFNONVCONQW-OLZOCXBDSA-N 1 0 379.555 2.434 20 0 GEADRO CCOC(=O)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000173228125 531997226 /nfs/dbraw/zinc/99/72/26/531997226.db2.gz OEKFWRICQZUMGJ-LBPRGKRZSA-N 1 0 384.274 2.448 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCOc2ccccc2Br)CC1 ZINC000120881203 531999456 /nfs/dbraw/zinc/99/94/56/531999456.db2.gz GFOWLYWJBUKHEN-OAHLLOKOSA-N 1 0 398.345 2.360 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCN1CCOC(C)(C)C1 ZINC000173396289 532007052 /nfs/dbraw/zinc/00/70/52/532007052.db2.gz ZLQISMVLYFZEED-CYBMUJFWSA-N 1 0 385.302 2.443 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000173412364 532009078 /nfs/dbraw/zinc/00/90/78/532009078.db2.gz MXEMLENQXVTSAA-JTQLQIEISA-N 1 0 390.347 2.193 20 0 GEADRO COC(=O)c1cc(I)cc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000121026876 532009400 /nfs/dbraw/zinc/00/94/00/532009400.db2.gz RXWDSBMAGXMIGG-UHFFFAOYSA-N 1 0 390.221 2.357 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)COc1ccccc1Br ZINC000121034321 532009661 /nfs/dbraw/zinc/00/96/61/532009661.db2.gz QAZCUOIEMBBMCH-CQSZACIVSA-N 1 0 385.302 2.397 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000121121282 532014969 /nfs/dbraw/zinc/01/49/69/532014969.db2.gz OKOGOGJKRFMDBH-UHFFFAOYSA-N 1 0 376.682 2.451 20 0 GEADRO C[C@@]1(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CCC[NH2+]1 ZINC000121248051 532020661 /nfs/dbraw/zinc/02/06/61/532020661.db2.gz VTLJJCYMSUFXLC-PXAZEXFGSA-N 1 0 395.301 2.163 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000173711380 532028203 /nfs/dbraw/zinc/02/82/03/532028203.db2.gz QIKDAXWBBAWJMC-AWEZNQCLSA-N 1 0 398.345 2.142 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000173741048 532030536 /nfs/dbraw/zinc/03/05/36/532030536.db2.gz QYWICCWECSKLRP-CYBMUJFWSA-N 1 0 380.539 2.199 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000173757787 532030590 /nfs/dbraw/zinc/03/05/90/532030590.db2.gz JPEVRZQNYOOVJH-ZDUSSCGKSA-N 1 0 385.302 2.443 20 0 GEADRO C[N@H+](CCOc1cccc(Br)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000121582543 532035181 /nfs/dbraw/zinc/03/51/81/532035181.db2.gz KLFZXIYBRZNTNL-UHFFFAOYSA-N 1 0 391.331 2.184 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)C1 ZINC000174027266 532047077 /nfs/dbraw/zinc/04/70/77/532047077.db2.gz ULELMTWFGMCMQF-GFCCVEGCSA-N 1 0 391.331 2.420 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000121854824 532050341 /nfs/dbraw/zinc/05/03/41/532050341.db2.gz VCCLHTKAMIVFGF-AWEZNQCLSA-N 1 0 388.917 2.017 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174165956 532054026 /nfs/dbraw/zinc/05/40/26/532054026.db2.gz FBWGFKCFTOLVJI-CQSZACIVSA-N 1 0 385.277 2.311 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174176128 532054344 /nfs/dbraw/zinc/05/43/44/532054344.db2.gz FRHDAIVWFRXCBO-AWEZNQCLSA-N 1 0 397.313 2.181 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000122285852 532064329 /nfs/dbraw/zinc/06/43/29/532064329.db2.gz QLBMJDKSQLVCFK-GXTWGEPZSA-N 1 0 395.301 2.034 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000122491951 532073439 /nfs/dbraw/zinc/07/34/39/532073439.db2.gz IBBNYWRHTHJCAH-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO CCN(CC)S(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000122527482 532073629 /nfs/dbraw/zinc/07/36/29/532073629.db2.gz YKOGSKXBRZLVCL-UHFFFAOYSA-N 1 0 389.949 2.359 20 0 GEADRO C[NH+]1CCC(CNC(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000122503114 532072903 /nfs/dbraw/zinc/07/29/03/532072903.db2.gz HVHMMCMZURUFMX-UHFFFAOYSA-N 1 0 393.289 2.493 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000174757522 532077007 /nfs/dbraw/zinc/07/70/07/532077007.db2.gz OXEOHQJRGGPLKV-AWEZNQCLSA-N 1 0 396.329 2.369 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000174826696 532080235 /nfs/dbraw/zinc/08/02/35/532080235.db2.gz MNYXDLZXEVAROZ-LBPRGKRZSA-N 1 0 384.249 2.223 20 0 GEADRO O=C(COc1ccccc1Br)NCCCC[N@H+]1CCC[C@H]1CO ZINC000122877573 532085249 /nfs/dbraw/zinc/08/52/49/532085249.db2.gz YMGFEBROLZWYJG-AWEZNQCLSA-N 1 0 385.302 2.181 20 0 GEADRO C[NH+](C)Cc1ccnc(NC(=O)CNC(=O)c2ccc(Br)s2)c1 ZINC000174990448 532085409 /nfs/dbraw/zinc/08/54/09/532085409.db2.gz PYUZNBDWXNRNPW-UHFFFAOYSA-N 1 0 397.298 2.336 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175250209 532094734 /nfs/dbraw/zinc/09/47/34/532094734.db2.gz UONWTCZVDBZCIU-NSHDSACASA-N 1 0 388.331 2.056 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000175277351 532096332 /nfs/dbraw/zinc/09/63/32/532096332.db2.gz VXCQFOGGJLQKPQ-GFCCVEGCSA-N 1 0 391.331 2.386 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]1 ZINC000175392117 532101588 /nfs/dbraw/zinc/10/15/88/532101588.db2.gz IVYWYAFNYMCYIP-CQSZACIVSA-N 1 0 380.286 2.012 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000175382587 532101836 /nfs/dbraw/zinc/10/18/36/532101836.db2.gz DTRWXIBHFDZMMB-UHFFFAOYSA-N 1 0 378.270 2.457 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cncc(I)c2)[C@H](C)C1 ZINC000123634765 532104488 /nfs/dbraw/zinc/10/44/88/532104488.db2.gz PHYYYYQZJLAQJF-RISCZKNCSA-N 1 0 387.265 2.489 20 0 GEADRO COc1ccc(Br)cc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000175482064 532105479 /nfs/dbraw/zinc/10/54/79/532105479.db2.gz KZUVZRLFAFYWHL-CYBMUJFWSA-N 1 0 399.333 2.463 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000175547234 532107534 /nfs/dbraw/zinc/10/75/34/532107534.db2.gz JYXRIIIFONLEJR-OAHLLOKOSA-N 1 0 387.933 2.239 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1Cl ZINC000123825710 532108816 /nfs/dbraw/zinc/10/88/16/532108816.db2.gz JEBFILFMCKGCAB-GFCCVEGCSA-N 1 0 388.946 2.326 20 0 GEADRO Cc1cc(Br)cc2cc(C(=O)NCCN3CC[NH+](C)CC3)oc21 ZINC000123865734 532110077 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CCn1c(SCC(=O)NCCC[NH+](C)C)nc2sc(C)c(C)c2c1=O ZINC000124500293 532123553 /nfs/dbraw/zinc/12/35/53/532123553.db2.gz ACKHLIKSSCSSJZ-UHFFFAOYSA-N 1 0 382.555 2.255 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CC[NH2+]C[C@H]3C)[nH]c(=O)c2c1C ZINC000124556890 532124080 /nfs/dbraw/zinc/12/40/80/532124080.db2.gz BDYAEZAGFRWBDQ-SKDRFNHKSA-N 1 0 380.539 2.043 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[N@@H+]1C1CC1 ZINC000124056070 532114186 /nfs/dbraw/zinc/11/41/86/532114186.db2.gz XQSASTGMPOWDGC-NWDGAFQWSA-N 1 0 375.897 2.371 20 0 GEADRO O=C(COc1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175841296 532115658 /nfs/dbraw/zinc/11/56/58/532115658.db2.gz FLXXWXFHRFVQAY-UHFFFAOYSA-N 1 0 383.286 2.151 20 0 GEADRO COc1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)ccc1Br ZINC000175840669 532115792 /nfs/dbraw/zinc/11/57/92/532115792.db2.gz AULPMELDEHOCFE-UHFFFAOYSA-N 1 0 398.301 2.388 20 0 GEADRO CCCN1CCCN(S(=O)(=O)c2nc(C)c(Br)s2)CC1 ZINC000125557717 532138797 /nfs/dbraw/zinc/13/87/97/532138797.db2.gz 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ZINC000124750114 532128878 /nfs/dbraw/zinc/12/88/78/532128878.db2.gz VTKSLUOKVMUXOZ-LBPRGKRZSA-N 1 0 384.395 2.215 20 0 GEADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000124817105 532129701 /nfs/dbraw/zinc/12/97/01/532129701.db2.gz XKBVRGVZQQHNBT-OAHLLOKOSA-N 1 0 382.302 2.170 20 0 GEADRO O=C(NCc1nc(C(F)(F)F)cs1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176300873 532133660 /nfs/dbraw/zinc/13/36/60/532133660.db2.gz UKWLFUKWKCJJLZ-LLVKDONJSA-N 1 0 378.420 2.026 20 0 GEADRO CN(CC[NH+](C)C)C(=O)CCCOc1ccc(I)cc1 ZINC000176382741 532136205 /nfs/dbraw/zinc/13/62/05/532136205.db2.gz VZVHQGUNYAOUHL-UHFFFAOYSA-N 1 0 390.265 2.470 20 0 GEADRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000126771976 532150468 /nfs/dbraw/zinc/15/04/68/532150468.db2.gz PXZSKQYPKWBGPZ-GFCCVEGCSA-N 1 0 390.299 2.277 20 0 GEADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000176799323 532150680 /nfs/dbraw/zinc/15/06/80/532150680.db2.gz CUGZYBLFIQAETN-UHFFFAOYSA-N 1 0 380.432 2.225 20 0 GEADRO CN(C(=O)c1ccc2ncc(I)n2c1)[C@H]1CCC[N@H+](C)C1 ZINC000176890187 532152818 /nfs/dbraw/zinc/15/28/18/532152818.db2.gz GXGWNGPFKHCREH-LBPRGKRZSA-N 1 0 398.248 2.105 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000127062518 532153076 /nfs/dbraw/zinc/15/30/76/532153076.db2.gz XPRQHLUYXGZVEZ-INIZCTEOSA-N 1 0 384.318 2.093 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1[nH]nc(C(C)C)c1Br ZINC000176910024 532154537 /nfs/dbraw/zinc/15/45/37/532154537.db2.gz RGSMCPUVLNPWEM-LLVKDONJSA-N 1 0 375.311 2.382 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000176624496 532143940 /nfs/dbraw/zinc/14/39/40/532143940.db2.gz LZQSWMQSCCLZCD-QGZVFWFLSA-N 1 0 385.961 2.129 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000125944087 532144469 /nfs/dbraw/zinc/14/44/69/532144469.db2.gz LQLIQZHAFIQNGZ-UHFFFAOYSA-N 1 0 390.347 2.479 20 0 GEADRO CS(=O)(=O)CC1(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000176685734 532145188 /nfs/dbraw/zinc/14/51/88/532145188.db2.gz FBXHFYGXPYPWDZ-UHFFFAOYSA-N 1 0 382.551 2.389 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000176696397 532146333 /nfs/dbraw/zinc/14/63/33/532146333.db2.gz GDUPPVBMNQJQGL-NSHDSACASA-N 1 0 388.331 2.041 20 0 GEADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000176694734 532146841 /nfs/dbraw/zinc/14/68/41/532146841.db2.gz LHGBXEDGGFIFDP-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO C[NH+](C)CCn1nnnc1S[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000126453293 532148092 /nfs/dbraw/zinc/14/80/92/532148092.db2.gz ZZTJNTJBYMLKAC-AWEZNQCLSA-N 1 0 380.905 2.176 20 0 GEADRO COc1ccsc1S(=O)(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000129029701 532170986 /nfs/dbraw/zinc/17/09/86/532170986.db2.gz OVYCMNQEMHKYPC-UHFFFAOYSA-N 1 0 388.555 2.195 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2sc(C)nc2C)[C@H](C)C1 ZINC000176925064 532155909 /nfs/dbraw/zinc/15/59/09/532155909.db2.gz MJMXUWCHDHTGMS-IUODEOHRSA-N 1 0 375.560 2.175 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177423985 532170617 /nfs/dbraw/zinc/17/06/17/532170617.db2.gz QNKRDIJXROOBNB-UHFFFAOYSA-N 1 0 385.555 2.135 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1c(C)cc(Br)cc1OC)C1CC1 ZINC000177025724 532159682 /nfs/dbraw/zinc/15/96/82/532159682.db2.gz NBFNJUJKTHVICF-UHFFFAOYSA-N 1 0 398.301 2.305 20 0 GEADRO CC(C)C[C@H](NC(=O)c1csc(Br)c1)C(=O)NCC[NH+](C)C ZINC000127974752 532160449 /nfs/dbraw/zinc/16/04/49/532160449.db2.gz SFYQRPJKPSGOGO-LBPRGKRZSA-N 1 0 390.347 2.333 20 0 GEADRO Cc1nc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1Br ZINC000128372932 532163740 /nfs/dbraw/zinc/16/37/40/532163740.db2.gz KUCDCKKOVZWAMU-CYBMUJFWSA-N 1 0 385.306 2.367 20 0 GEADRO C[N@H+](CC(=O)N1CCN(c2nc3ccccc3s2)CC1)[C@@H]1CCSC1 ZINC000129441258 532178452 /nfs/dbraw/zinc/17/84/52/532178452.db2.gz CJOPVLZDCKQYQY-CQSZACIVSA-N 1 0 376.551 2.382 20 0 GEADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129476446 532179729 /nfs/dbraw/zinc/17/97/29/532179729.db2.gz GZANNCLBPWAHOU-GDBMZVCRSA-N 1 0 389.323 2.387 20 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TYDPNFIBNYTPEI-OAHLLOKOSA-N 1 0 397.260 2.461 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000177927491 532186596 /nfs/dbraw/zinc/18/65/96/532186596.db2.gz ADUWZSAOWAPYHU-MRXNPFEDSA-N 1 0 396.329 2.463 20 0 GEADRO CNC(=O)C[NH+]1CCC(N[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)CC1 ZINC000129951570 532187118 /nfs/dbraw/zinc/18/71/18/532187118.db2.gz ICENIHLXEXVNJE-INIZCTEOSA-N 1 0 388.295 2.008 20 0 GEADRO O=C(Cc1cccc(I)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000129989869 532187604 /nfs/dbraw/zinc/18/76/04/532187604.db2.gz UYFLPWDVSOQZHJ-CYBMUJFWSA-N 1 0 384.261 2.434 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000178554090 532205297 /nfs/dbraw/zinc/20/52/97/532205297.db2.gz XQNRROHJSKBSJY-UHFFFAOYSA-N 1 0 378.826 2.463 20 0 GEADRO O=C(C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1)N1CCOCC1 ZINC000178586164 532206138 /nfs/dbraw/zinc/20/61/38/532206138.db2.gz AXRFITQPPFCPAN-QGZVFWFLSA-N 1 0 397.313 2.053 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000178673913 532208889 /nfs/dbraw/zinc/20/88/89/532208889.db2.gz DPGCIPBCUFAHQR-INIZCTEOSA-N 1 0 396.329 2.417 20 0 GEADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178713718 532211461 /nfs/dbraw/zinc/21/14/61/532211461.db2.gz JNGIIZAJDOYNTH-UHFFFAOYSA-N 1 0 384.727 2.458 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)c2cccc(Br)c2I)C1 ZINC000132263430 532212072 /nfs/dbraw/zinc/21/20/72/532212072.db2.gz NNGCTMATLAGBCC-SSDOTTSWSA-N 1 0 395.038 2.227 20 0 GEADRO O=C(C[NH2+][C@@]1(CO)CCc2ccccc21)Nc1ccc(Br)cn1 ZINC000132337146 532213814 /nfs/dbraw/zinc/21/38/14/532213814.db2.gz LXXOFOKGZKCLMX-QGZVFWFLSA-N 1 0 376.254 2.206 20 0 GEADRO CCCN(C(=O)c1ccc2ncc(I)n2c1)[C@H]1CC[NH2+]C1 ZINC000178894421 532216561 /nfs/dbraw/zinc/21/65/61/532216561.db2.gz HUJMBZVEFXRQQC-LBPRGKRZSA-N 1 0 398.248 2.153 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131715628 532201979 /nfs/dbraw/zinc/20/19/79/532201979.db2.gz NTKHXUREHYFPFP-CQSZACIVSA-N 1 0 387.293 2.484 20 0 GEADRO O=C(Cc1c(Cl)cccc1Cl)NCCCC[NH+]1CCN(CCO)CC1 ZINC000131730026 532202644 /nfs/dbraw/zinc/20/26/44/532202644.db2.gz COIXMWGZMLCJIQ-UHFFFAOYSA-N 1 0 388.339 2.042 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000178514964 532203773 /nfs/dbraw/zinc/20/37/73/532203773.db2.gz GSGYYTHSRNMJCF-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO Cc1cc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1Br ZINC000179324912 532228422 /nfs/dbraw/zinc/22/84/22/532228422.db2.gz WMVGTEKXUYPQAQ-UHFFFAOYSA-N 1 0 396.329 2.288 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000179486010 532232956 /nfs/dbraw/zinc/23/29/56/532232956.db2.gz FIHMVDTXMURQHE-OLMNPRSZSA-N 1 0 393.329 2.259 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000133346610 532232945 /nfs/dbraw/zinc/23/29/45/532232945.db2.gz CWIMPSGOHXDRNY-LBPRGKRZSA-N 1 0 399.563 2.112 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000179516085 532233971 /nfs/dbraw/zinc/23/39/71/532233971.db2.gz INGDIZCXRANFQY-OLZOCXBDSA-N 1 0 390.285 2.422 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccnc1Br)[NH+]1CCCC1 ZINC000179531395 532234269 /nfs/dbraw/zinc/23/42/69/532234269.db2.gz WNYRFABRWSMTNU-CYBMUJFWSA-N 1 0 383.290 2.019 20 0 GEADRO COc1cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)sc1Br ZINC000133408649 532234832 /nfs/dbraw/zinc/23/48/32/532234832.db2.gz JKTCNBOCVJBIFD-UHFFFAOYSA-N 1 0 390.347 2.229 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH2+]C)C2)ccc1Cl ZINC000179020643 532220820 /nfs/dbraw/zinc/22/08/20/532220820.db2.gz HPBOEULWGVTOEO-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000132802914 532221793 /nfs/dbraw/zinc/22/17/93/532221793.db2.gz JWFPARTZSWKNFM-GFCCVEGCSA-N 1 0 378.897 2.192 20 0 GEADRO CN(C(=O)CCCOc1ccc(I)cc1)[C@H]1CC[NH2+]C1 ZINC000179113252 532222694 /nfs/dbraw/zinc/22/26/94/532222694.db2.gz BOTQHMVBGNVHBH-ZDUSSCGKSA-N 1 0 388.249 2.271 20 0 GEADRO C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)[C@@H]1CO ZINC000132909115 532223395 /nfs/dbraw/zinc/22/33/95/532223395.db2.gz CPUSIUCSOWRNNA-BXUZGUMPSA-N 1 0 388.249 2.323 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(Br)cc1I ZINC000179188321 532224433 /nfs/dbraw/zinc/22/44/33/532224433.db2.gz ZGQCOSIUZFGAIT-ZETCQYMHSA-N 1 0 397.054 2.473 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cccnc1Br ZINC000179651095 532240190 /nfs/dbraw/zinc/24/01/90/532240190.db2.gz CQMAMEDRQLPRLW-UHFFFAOYSA-N 1 0 385.306 2.411 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000133712438 532241763 /nfs/dbraw/zinc/24/17/63/532241763.db2.gz HAYVYAFWDLGGJE-ZYHUDNBSSA-N 1 0 390.228 2.342 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000179757394 532242735 /nfs/dbraw/zinc/24/27/35/532242735.db2.gz PFPOXTKIUYFKTA-ZDUSSCGKSA-N 1 0 395.301 2.260 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000179807750 532244809 /nfs/dbraw/zinc/24/48/09/532244809.db2.gz PJHCWCMJOJQRFB-UHFFFAOYSA-N 1 0 390.228 2.268 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000133913197 532245631 /nfs/dbraw/zinc/24/56/31/532245631.db2.gz LHSSVWCSDJGEQP-CYBMUJFWSA-N 1 0 382.302 2.496 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)n1 ZINC000179852089 532247436 /nfs/dbraw/zinc/24/74/36/532247436.db2.gz WRHLGLSXLPCBJB-NWDGAFQWSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000179852423 532247841 /nfs/dbraw/zinc/24/78/41/532247841.db2.gz MMJUENZROQNSRJ-NEPJUHHUSA-N 1 0 383.290 2.080 20 0 GEADRO CCOC(=O)C1(NC(=O)c2cc(F)c(Cl)nc2Cl)CC[NH+](C)CC1 ZINC000134327070 532254038 /nfs/dbraw/zinc/25/40/38/532254038.db2.gz GVKKTVHXKZPCIY-UHFFFAOYSA-N 1 0 378.231 2.285 20 0 GEADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)s1 ZINC000134102818 532250112 /nfs/dbraw/zinc/25/01/12/532250112.db2.gz ZUDCZVQGMNXTAU-AWEZNQCLSA-N 1 0 379.913 2.420 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000134121626 532251125 /nfs/dbraw/zinc/25/11/25/532251125.db2.gz SYBKESJMOXJZCL-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000133514344 532236793 /nfs/dbraw/zinc/23/67/93/532236793.db2.gz RSWMWZJAXFVURF-OLZOCXBDSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000180032936 532254524 /nfs/dbraw/zinc/25/45/24/532254524.db2.gz MHTCBZZPQGTKSO-DSCSFJNRSA-N 1 0 384.929 2.319 20 0 GEADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000180025526 532255027 /nfs/dbraw/zinc/25/50/27/532255027.db2.gz PYICMIKBYPAPRM-UHFFFAOYSA-N 1 0 386.587 2.152 20 0 GEADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1 ZINC000180082543 532256194 /nfs/dbraw/zinc/25/61/94/532256194.db2.gz MKMRICOCLZFOAH-INIZCTEOSA-N 1 0 388.295 2.405 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1nc(C)c(Br)s1 ZINC000180092892 532256946 /nfs/dbraw/zinc/25/69/46/532256946.db2.gz TWMVFKWUJMGFMN-WDEREUQCSA-N 1 0 394.360 2.461 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000134596702 532258302 /nfs/dbraw/zinc/25/83/02/532258302.db2.gz HWSXZLVHBFAXEG-BBRMVZONSA-N 1 0 396.329 2.067 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCCOc2c(Br)cccc21)c1ccn[nH]1 ZINC000180214777 532262143 /nfs/dbraw/zinc/26/21/43/532262143.db2.gz ABCICBUNZSUTMG-ZDUSSCGKSA-N 1 0 379.258 2.406 20 0 GEADRO COc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)sc1Br ZINC000134780097 532263024 /nfs/dbraw/zinc/26/30/24/532263024.db2.gz FTIPLXOPOZVDPS-UHFFFAOYSA-N 1 0 377.304 2.360 20 0 GEADRO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(F)cc1F ZINC000180749562 532279378 /nfs/dbraw/zinc/27/93/78/532279378.db2.gz YQMZEOPJUYAZMS-WMLDXEAASA-N 1 0 376.469 2.494 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCSc2c(F)cccc21)NC[C@@H]1CCCCO1 ZINC000180743553 532279658 /nfs/dbraw/zinc/27/96/58/532279658.db2.gz GOTCGIVOGWPKLG-XJKSGUPXSA-N 1 0 388.530 2.441 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCSc2c(F)cccc21)NC[C@H]1CCCCO1 ZINC000180743591 532279943 /nfs/dbraw/zinc/27/99/43/532279943.db2.gz GOTCGIVOGWPKLG-CZUORRHYSA-N 1 0 388.530 2.441 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(Br)s2)C[C@@H]1C ZINC000180757754 532280397 /nfs/dbraw/zinc/28/03/97/532280397.db2.gz STIILVFYELKOJX-NWDGAFQWSA-N 1 0 390.347 2.150 20 0 GEADRO C[NH+](C)Cc1ccc(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000136024059 532281789 /nfs/dbraw/zinc/28/17/89/532281789.db2.gz ZAFZPRSWXUQNBI-UHFFFAOYSA-N 1 0 380.897 2.492 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)cc1Br ZINC000180465964 532272924 /nfs/dbraw/zinc/27/29/24/532272924.db2.gz FRYNUBVQMQCDHR-LLVKDONJSA-N 1 0 379.320 2.436 20 0 GEADRO O=C1NC[C@H]2CN(Cc3ccc(-c4cccc(Cl)c4)s3)CCN2C1=O ZINC000180487793 532273193 /nfs/dbraw/zinc/27/31/93/532273193.db2.gz GKBDHNQRQNXVLA-AWEZNQCLSA-N 1 0 375.881 2.211 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)Cn2cccn2)c1 ZINC000138352027 532292561 /nfs/dbraw/zinc/29/25/61/532292561.db2.gz OORWGWZKGZSUEW-CYBMUJFWSA-N 1 0 395.301 2.452 20 0 GEADRO C[NH+]1CCN(CCNC(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000181287324 532295377 /nfs/dbraw/zinc/29/53/77/532295377.db2.gz SISQPBMYVMOTET-UHFFFAOYSA-N 1 0 394.235 2.445 20 0 GEADRO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000181342016 532295599 /nfs/dbraw/zinc/29/55/99/532295599.db2.gz SWNZWPOUCHXJSS-LBPRGKRZSA-N 1 0 382.302 2.227 20 0 GEADRO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1(C)C ZINC000182062552 532308420 /nfs/dbraw/zinc/30/84/20/532308420.db2.gz NHBRUDFXSSPORR-RRFJBIMHSA-N 1 0 375.556 2.456 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCC[NH+](C)C)ccc1Cl ZINC000181367000 532296415 /nfs/dbraw/zinc/29/64/15/532296415.db2.gz LYSXQKFYOZIMRU-UHFFFAOYSA-N 1 0 376.910 2.054 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000181448399 532299097 /nfs/dbraw/zinc/29/90/97/532299097.db2.gz JJOCBFAPIDSVLU-NSHDSACASA-N 1 0 383.290 2.082 20 0 GEADRO C[C@H](CC(=O)N(C)C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000181457966 532299382 /nfs/dbraw/zinc/29/93/82/532299382.db2.gz SSDOWSDWNPKVDI-CYBMUJFWSA-N 1 0 384.318 2.242 20 0 GEADRO Cn1cc(S(=O)(=O)NCC[NH2+]C2(c3cccc(Cl)c3)CCCC2)cn1 ZINC000181460106 532299585 /nfs/dbraw/zinc/29/95/85/532299585.db2.gz GNDIKVSAEPFXNR-UHFFFAOYSA-N 1 0 382.917 2.411 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000150773667 532301287 /nfs/dbraw/zinc/30/12/87/532301287.db2.gz ZNKNQIVFEPYJSO-VXGBXAGGSA-N 1 0 380.495 2.248 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150758587 532301544 /nfs/dbraw/zinc/30/15/44/532301544.db2.gz YBNDZQXRSOAQIH-OAHLLOKOSA-N 1 0 382.302 2.088 20 0 GEADRO C[C@@H](C[S@](C)=O)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000181635694 532304096 /nfs/dbraw/zinc/30/40/96/532304096.db2.gz UOENWQTUTFDFHP-VAZLSXMYSA-N 1 0 376.444 2.324 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000150919466 532304299 /nfs/dbraw/zinc/30/42/99/532304299.db2.gz AJMMTJXYIIFAAV-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C12CCC2 ZINC000181741494 532305704 /nfs/dbraw/zinc/30/57/04/532305704.db2.gz IOXONYMLACAPSS-UONOGXRCSA-N 1 0 384.464 2.485 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000181751182 532306087 /nfs/dbraw/zinc/30/60/87/532306087.db2.gz SJLHGWRGQDFGCT-NSHDSACASA-N 1 0 396.207 2.418 20 0 GEADRO C[NH+](C)C1CCN(S(=O)(=O)c2cccc(I)c2)CC1 ZINC000151061918 532306445 /nfs/dbraw/zinc/30/64/45/532306445.db2.gz QFTQLQUPHOYBSN-UHFFFAOYSA-N 1 0 394.278 2.006 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000182031724 532308740 /nfs/dbraw/zinc/30/87/40/532308740.db2.gz KPCHPYBHEUUSQE-GFCCVEGCSA-N 1 0 399.285 2.007 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183386466 532324517 /nfs/dbraw/zinc/32/45/17/532324517.db2.gz DNGXXXUEHGOBSO-JTQLQIEISA-N 1 0 388.331 2.135 20 0 GEADRO Cn1cc(Br)cc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183453695 532325221 /nfs/dbraw/zinc/32/52/21/532325221.db2.gz CYPUGCOIYTVJEU-INIZCTEOSA-N 1 0 392.297 2.284 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182110973 532309457 /nfs/dbraw/zinc/30/94/57/532309457.db2.gz BCFKLACTRGUYJF-UHFFFAOYSA-N 1 0 377.388 2.446 20 0 GEADRO C[C@@H](CCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)[NH+]1CCCCC1 ZINC000182240927 532310487 /nfs/dbraw/zinc/31/04/87/532310487.db2.gz ZGAFVMHODTWUJY-NSHDSACASA-N 1 0 391.896 2.121 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000182476562 532313656 /nfs/dbraw/zinc/31/36/56/532313656.db2.gz BOIJVGKGEORZBB-UHFFFAOYSA-N 1 0 399.333 2.271 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000182591964 532315045 /nfs/dbraw/zinc/31/50/45/532315045.db2.gz KJPYNPUTLNCOCN-UKRRQHHQSA-N 1 0 387.343 2.442 20 0 GEADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc(OCC(F)(F)F)nc1 ZINC000182588207 532315227 /nfs/dbraw/zinc/31/52/27/532315227.db2.gz MKWABUKZYIKTJF-UHFFFAOYSA-N 1 0 381.420 2.177 20 0 GEADRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000182624470 532315567 /nfs/dbraw/zinc/31/55/67/532315567.db2.gz NWIAYLCVNXWPRA-OLZOCXBDSA-N 1 0 375.332 2.298 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cnc1Br ZINC000182682373 532316322 /nfs/dbraw/zinc/31/63/22/532316322.db2.gz KDNRNBLFASFPFT-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)cnc1Br ZINC000182677662 532316463 /nfs/dbraw/zinc/31/64/63/532316463.db2.gz WSDXGPZGMOSCFV-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1cccc(Br)c1 ZINC000182823014 532318394 /nfs/dbraw/zinc/31/83/94/532318394.db2.gz GAGGJJHGCTYJOM-MRXNPFEDSA-N 1 0 399.333 2.271 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cnc1Br ZINC000182835602 532318756 /nfs/dbraw/zinc/31/87/56/532318756.db2.gz FAVFISRXEGWCDH-ZDUSSCGKSA-N 1 0 397.317 2.185 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000182968833 532320257 /nfs/dbraw/zinc/32/02/57/532320257.db2.gz CFQQNRZJWVOGRD-HZPDHXFCSA-N 1 0 376.444 2.447 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183142347 532321596 /nfs/dbraw/zinc/32/15/96/532321596.db2.gz SFKTZDHCOULIMU-CYBMUJFWSA-N 1 0 387.933 2.242 20 0 GEADRO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000183219047 532322264 /nfs/dbraw/zinc/32/22/64/532322264.db2.gz KANCEPFSMWANEG-SDDRHHMPSA-N 1 0 388.249 2.321 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)CS(C)(=O)=O ZINC000183263146 532322469 /nfs/dbraw/zinc/32/24/69/532322469.db2.gz ZVLKHJPORMJZNG-LLVKDONJSA-N 1 0 377.304 2.109 20 0 GEADRO COC(=O)CN1CCC([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000183276633 532322722 /nfs/dbraw/zinc/32/27/22/532322722.db2.gz CTGZYJSGBTUGFS-HNNXBMFYSA-N 1 0 396.329 2.255 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)NCC(F)(F)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185110253 532336892 /nfs/dbraw/zinc/33/68/92/532336892.db2.gz UGZQFTGHXZEHBS-RISCZKNCSA-N 1 0 379.810 2.399 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(F)c(F)cc3I)C[C@@H]12 ZINC000185196076 532337165 /nfs/dbraw/zinc/33/71/65/532337165.db2.gz YKJINITZVIGCML-HUQFOHBGSA-N 1 0 392.187 2.379 20 0 GEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cccc(I)c1 ZINC000185226738 532337193 /nfs/dbraw/zinc/33/71/93/532337193.db2.gz KDORUFUGXBGLOM-UHFFFAOYSA-N 1 0 394.278 2.006 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000185233375 532337324 /nfs/dbraw/zinc/33/73/24/532337324.db2.gz SYGABDJKSKPMEL-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c(Cl)cc1F ZINC000185328918 532337572 /nfs/dbraw/zinc/33/75/72/532337572.db2.gz LFVYYBZCUPXUQR-ZDUSSCGKSA-N 1 0 377.913 2.092 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000185341496 532337647 /nfs/dbraw/zinc/33/76/47/532337647.db2.gz MBLBWNHOLJHYLI-ZDUSSCGKSA-N 1 0 394.368 2.439 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(F)ccc2Br)C[C@H]1C ZINC000185575067 532337969 /nfs/dbraw/zinc/33/79/69/532337969.db2.gz UUDOBIXZBDMRIL-VXGBXAGGSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccccc1Br ZINC000185634697 532338217 /nfs/dbraw/zinc/33/82/17/532338217.db2.gz RWCVDMCRQNDJJD-CQSZACIVSA-N 1 0 383.334 2.274 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1sccc1Br ZINC000185638763 532338257 /nfs/dbraw/zinc/33/82/57/532338257.db2.gz OBJKYTKAELEBLI-GFCCVEGCSA-N 1 0 389.363 2.336 20 0 GEADRO Cc1nc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000185654696 532338342 /nfs/dbraw/zinc/33/83/42/532338342.db2.gz LQWPAQCCMXHAPW-LBPRGKRZSA-N 1 0 384.322 2.300 20 0 GEADRO C[NH+](C)CCC1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000185653054 532338378 /nfs/dbraw/zinc/33/83/78/532338378.db2.gz RQWVIBCZUOTOMB-UHFFFAOYSA-N 1 0 396.329 2.369 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000185705229 532338456 /nfs/dbraw/zinc/33/84/56/532338456.db2.gz JVFGTIDUWSRHCQ-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)cc(OC)c1)C1CC1 ZINC000185751160 532338612 /nfs/dbraw/zinc/33/86/12/532338612.db2.gz RMDOJPLCVFTYQN-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)CNS(=O)(=O)c1cccs1 ZINC000185751816 532338670 /nfs/dbraw/zinc/33/86/70/532338670.db2.gz FRGHYHACVIHOLP-UHFFFAOYSA-N 1 0 387.571 2.187 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186256135 532340396 /nfs/dbraw/zinc/34/03/96/532340396.db2.gz VHNASPCSNCVRQY-MRXNPFEDSA-N 1 0 395.301 2.193 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)COc1ccc(I)cc1 ZINC000186796561 532341978 /nfs/dbraw/zinc/34/19/78/532341978.db2.gz BSFCKLBDOJONQP-UHFFFAOYSA-N 1 0 388.249 2.223 20 0 GEADRO Cc1ccc(CC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000186856362 532342152 /nfs/dbraw/zinc/34/21/52/532342152.db2.gz ISRAVRJLLWIOKA-HNNXBMFYSA-N 1 0 382.346 2.442 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000186845988 532342245 /nfs/dbraw/zinc/34/22/45/532342245.db2.gz ZTWOPLSRTQCWGY-ABAIWWIYSA-N 1 0 387.933 2.145 20 0 GEADRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000187125492 532343187 /nfs/dbraw/zinc/34/31/87/532343187.db2.gz NACKFSKVCHNFRN-UHFFFAOYSA-N 1 0 378.489 2.281 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000187128142 532343295 /nfs/dbraw/zinc/34/32/95/532343295.db2.gz JDKGWNYGGSGZJB-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@@H+]1C ZINC000183671049 532327621 /nfs/dbraw/zinc/32/76/21/532327621.db2.gz LKZCFMPAZVOORT-QWRGUYRKSA-N 1 0 396.285 2.335 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cccc(Cl)c1Cl ZINC000183759873 532328845 /nfs/dbraw/zinc/32/88/45/532328845.db2.gz SFUQOSRCQCXHBJ-JTQLQIEISA-N 1 0 377.297 2.356 20 0 GEADRO NC(=O)NC(=O)CCC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183830310 532329140 /nfs/dbraw/zinc/32/91/40/532329140.db2.gz VEVBWCCNUSIMLC-UHFFFAOYSA-N 1 0 384.274 2.267 20 0 GEADRO O=C1[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)CCN1CC(F)(F)F ZINC000183888295 532329869 /nfs/dbraw/zinc/32/98/69/532329869.db2.gz RRPZTXLCADAPEV-RYUDHWBXSA-N 1 0 381.192 2.235 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c(C)s1 ZINC000183914120 532330036 /nfs/dbraw/zinc/33/00/36/532330036.db2.gz YQMLXLPFEJCZPH-NSHDSACASA-N 1 0 376.544 2.353 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000183966563 532330540 /nfs/dbraw/zinc/33/05/40/532330540.db2.gz BYZHEZYJAWCNCU-GFCCVEGCSA-N 1 0 375.282 2.197 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000183966549 532330559 /nfs/dbraw/zinc/33/05/59/532330559.db2.gz BYZHEZYJAWCNCU-LBPRGKRZSA-N 1 0 375.282 2.197 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1Br ZINC000184067493 532330785 /nfs/dbraw/zinc/33/07/85/532330785.db2.gz SWMDVOANSASGJI-GFCCVEGCSA-N 1 0 386.338 2.051 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000184339833 532332281 /nfs/dbraw/zinc/33/22/81/532332281.db2.gz RXSRHZKRFWQBGM-ITDFMYJTSA-N 1 0 381.933 2.205 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCOc1ccccc1Br ZINC000184343784 532332400 /nfs/dbraw/zinc/33/24/00/532332400.db2.gz QLIPEVIBHRSGHE-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO Cc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(Br)n1 ZINC000184542597 532333557 /nfs/dbraw/zinc/33/35/57/532333557.db2.gz BNMYDQAMWZDJNU-CYBMUJFWSA-N 1 0 384.322 2.300 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)CCc2ccc(C)cc2Br)CC1 ZINC000184946233 532336180 /nfs/dbraw/zinc/33/61/80/532336180.db2.gz QLUCIBZMYIHGGC-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)CN3C(=S)N=NC3c3ccc(Cl)cc3)C[C@H]21 ZINC000184969106 532336483 /nfs/dbraw/zinc/33/64/83/532336483.db2.gz JJTQYWPRPAKSNF-YUTCNCBUSA-N 1 0 377.901 2.083 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1sccc1Br)NC[C@H]1CCCCO1 ZINC000185034364 532336584 /nfs/dbraw/zinc/33/65/84/532336584.db2.gz GCCSSYCHNJVFLU-LLVKDONJSA-N 1 0 397.360 2.089 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000187866557 532345899 /nfs/dbraw/zinc/34/58/99/532345899.db2.gz CXTCZWIUMYCHRH-OAHLLOKOSA-N 1 0 395.345 2.395 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCc1ccc(Br)cc1OC ZINC000187851647 532345919 /nfs/dbraw/zinc/34/59/19/532345919.db2.gz MHKYBCPFTFRYQX-UHFFFAOYSA-N 1 0 388.306 2.177 20 0 GEADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000187953643 532346103 /nfs/dbraw/zinc/34/61/03/532346103.db2.gz WNYDUOVEDPXWEN-WMLDXEAASA-N 1 0 386.323 2.451 20 0 GEADRO C[C@H]1CN(C(=O)NCc2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188031135 532346376 /nfs/dbraw/zinc/34/63/76/532346376.db2.gz SEWBUCQUXBSLAS-ZDUSSCGKSA-N 1 0 384.318 2.436 20 0 GEADRO Cc1ccc(CC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000188163637 532347008 /nfs/dbraw/zinc/34/70/08/532347008.db2.gz OOCPCWATIVJYRD-MRXNPFEDSA-N 1 0 381.314 2.481 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1Br ZINC000188269579 532347721 /nfs/dbraw/zinc/34/77/21/532347721.db2.gz IDFNJKRJHKVKBL-SECBINFHSA-N 1 0 379.258 2.318 20 0 GEADRO CC[N@H+](CC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)C1CC1 ZINC000188263383 532347729 /nfs/dbraw/zinc/34/77/29/532347729.db2.gz ODGFQKLLIMTNKV-UHFFFAOYSA-N 1 0 377.436 2.080 20 0 GEADRO C[C@H]1CN(C(=O)Cc2ccc(Br)s2)CC[N@@H+]1CC(C)(C)O ZINC000188654664 532349004 /nfs/dbraw/zinc/34/90/04/532349004.db2.gz UEVBALFVDAHKDJ-NSHDSACASA-N 1 0 375.332 2.357 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1Br ZINC000188749681 532349386 /nfs/dbraw/zinc/34/93/86/532349386.db2.gz BNUCVLNJQOBOEM-CYBMUJFWSA-N 1 0 398.301 2.387 20 0 GEADRO COCC[C@](C)(O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188738148 532349416 /nfs/dbraw/zinc/34/94/16/532349416.db2.gz OKTABUWXPZBAKN-KRWDZBQOSA-N 1 0 387.318 2.163 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188973069 532350386 /nfs/dbraw/zinc/35/03/86/532350386.db2.gz HIRGRMZKOIPELT-HNNXBMFYSA-N 1 0 381.314 2.481 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000189135647 532351079 /nfs/dbraw/zinc/35/10/79/532351079.db2.gz SDARWNWYESSWFO-UHFFFAOYSA-N 1 0 381.420 2.128 20 0 GEADRO COC(=O)[C@H](O)C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000189257345 532351579 /nfs/dbraw/zinc/35/15/79/532351579.db2.gz MDWSGTSFMUQOBY-OAHLLOKOSA-N 1 0 390.249 2.213 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000189274762 532351697 /nfs/dbraw/zinc/35/16/97/532351697.db2.gz VVXRJWZGTCCWDL-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO COc1ccc(CCC(=O)NCC[N@@H+]2CCCOCC2)cc1Br ZINC000189420797 532352095 /nfs/dbraw/zinc/35/20/95/532352095.db2.gz MNNBKEXGKDQAIK-UHFFFAOYSA-N 1 0 385.302 2.229 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(Br)c1 ZINC000189472274 532352390 /nfs/dbraw/zinc/35/23/90/532352390.db2.gz SZPZNZQVMVFNPY-AWEZNQCLSA-N 1 0 398.345 2.473 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1nc(C(C)C)cs1 ZINC000189731760 532353396 /nfs/dbraw/zinc/35/33/96/532353396.db2.gz WNSOPUZVDGNOKO-UHFFFAOYSA-N 1 0 385.559 2.120 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000189789842 532353675 /nfs/dbraw/zinc/35/36/75/532353675.db2.gz SQXVHEGAIHHVKK-UHFFFAOYSA-N 1 0 380.330 2.234 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000189807742 532353748 /nfs/dbraw/zinc/35/37/48/532353748.db2.gz KGVNDXDIZKCPPP-UHFFFAOYSA-N 1 0 382.302 2.138 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1Br ZINC000189788578 532353753 /nfs/dbraw/zinc/35/37/53/532353753.db2.gz NXLWGVDOTKXZKY-UHFFFAOYSA-N 1 0 380.286 2.311 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189796289 532353755 /nfs/dbraw/zinc/35/37/55/532353755.db2.gz HAHZUTYWGDASCW-UHFFFAOYSA-N 1 0 380.286 2.311 20 0 GEADRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cnn1C(C)(C)C ZINC000191390799 532360750 /nfs/dbraw/zinc/36/07/50/532360750.db2.gz VDJFRBRPTSSCEU-TZMCWYRMSA-N 1 0 385.555 2.493 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000189969800 532354236 /nfs/dbraw/zinc/35/42/36/532354236.db2.gz LOVZUABWTCCNDT-NSHDSACASA-N 1 0 379.295 2.469 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC1CC(O)C1 ZINC000190210197 532355249 /nfs/dbraw/zinc/35/52/49/532355249.db2.gz BZDZDOMOHRFHOM-IFQILLTASA-N 1 0 388.249 2.321 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000190831782 532358176 /nfs/dbraw/zinc/35/81/76/532358176.db2.gz YLAKXMSCRJDNAD-SWLSCSKDSA-N 1 0 382.302 2.495 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190835376 532358233 /nfs/dbraw/zinc/35/82/33/532358233.db2.gz YRQPDODYSJIYBB-UHFFFAOYSA-N 1 0 392.244 2.370 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190836618 532358237 /nfs/dbraw/zinc/35/82/37/532358237.db2.gz BYJGBEHWZPRMJN-WOPDTQHZSA-N 1 0 388.249 2.178 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000190907171 532358708 /nfs/dbraw/zinc/35/87/08/532358708.db2.gz DOFXEAJQJBDFOA-CYBMUJFWSA-N 1 0 394.368 2.439 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190909464 532358726 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GEADRO OCCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000647530018 532375510 /nfs/dbraw/zinc/37/55/10/532375510.db2.gz CNGSOWGRVUKQOT-HUUCEWRRSA-N 1 0 377.312 2.170 20 0 GEADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000294675943 532375774 /nfs/dbraw/zinc/37/57/74/532375774.db2.gz PCEBCZZSPXLZNS-BDJLRTHQSA-N 1 0 380.286 2.458 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000463667572 532378656 /nfs/dbraw/zinc/37/86/56/532378656.db2.gz UEBKLPRGBPZEMF-UWVGGRQHSA-N 1 0 378.420 2.480 20 0 GEADRO Cn1ncc(Br)c1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000622061527 532376732 /nfs/dbraw/zinc/37/67/32/532376732.db2.gz LEVKRTYPLAGDEZ-ZDUSSCGKSA-N 1 0 379.258 2.002 20 0 GEADRO O=S1(=O)CCC(C[NH+]2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000372253675 532378167 /nfs/dbraw/zinc/37/81/67/532378167.db2.gz AOEGBEDEEZWKFL-UHFFFAOYSA-N 1 0 376.320 2.107 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000191453888 532361016 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[NH3+]CC[C@@H]1CCCCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000515384083 532363358 /nfs/dbraw/zinc/36/33/58/532363358.db2.gz FJJKGKPBJHHSRP-JTQLQIEISA-N 1 0 382.258 2.124 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646998117 532363656 /nfs/dbraw/zinc/36/36/56/532363656.db2.gz PPEXUHFGWNNXMC-GHMZBOCLSA-N 1 0 389.315 2.161 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[C@H]1[NH3+] ZINC000647003757 532363875 /nfs/dbraw/zinc/36/38/75/532363875.db2.gz AKCJNPMFKVXITL-XJKCOSOUSA-N 1 0 394.313 2.388 20 0 GEADRO O=C(c1cscc1C(F)(F)F)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000622095351 532378417 /nfs/dbraw/zinc/37/84/17/532378417.db2.gz LVZWRQVBVGJORY-NSHDSACASA-N 1 0 375.416 2.193 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccc(Br)cc1 ZINC000621691779 532364121 /nfs/dbraw/zinc/36/41/21/532364121.db2.gz DERDWRSKGFVSOC-LESCRADOSA-N 1 0 394.313 2.356 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cncn1C ZINC000425096506 532364249 /nfs/dbraw/zinc/36/42/49/532364249.db2.gz FKEYNQURROQGAJ-UHFFFAOYSA-N 1 0 380.290 2.433 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000515433013 532364640 /nfs/dbraw/zinc/36/46/40/532364640.db2.gz OUJDKAPOUNHHPG-HZPDHXFCSA-N 1 0 394.313 2.117 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc3c(cc2Br)OCO3)CC12CCOCC2 ZINC000621659671 532364846 /nfs/dbraw/zinc/36/48/46/532364846.db2.gz OYOBXUVCVHREBA-LLVKDONJSA-N 1 0 397.269 2.005 20 0 GEADRO CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000621660742 532364956 /nfs/dbraw/zinc/36/49/56/532364956.db2.gz VDEGIIZGHTTWFR-MLGOLLRUSA-N 1 0 382.302 2.214 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cc1cncnc1 ZINC000425098299 532365647 /nfs/dbraw/zinc/36/56/47/532365647.db2.gz KGWOPMWYWGRGFM-UHFFFAOYSA-N 1 0 392.301 2.418 20 0 GEADRO C[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)S(C)(=O)=O ZINC000677153283 532365809 /nfs/dbraw/zinc/36/58/09/532365809.db2.gz OFSIVRRXLKNTDV-SNVBAGLBSA-N 1 0 378.288 2.133 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000590002051 532365971 /nfs/dbraw/zinc/36/59/71/532365971.db2.gz UDOJGMWCQQVLBK-BBRMVZONSA-N 1 0 394.313 2.355 20 0 GEADRO CC(C)Nc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000515487792 532366061 /nfs/dbraw/zinc/36/60/61/532366061.db2.gz YKAZAGIVDDCYHL-CYBMUJFWSA-N 1 0 383.290 2.076 20 0 GEADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Cc1cc3c(cc1Br)OCCO3)C2 ZINC000621699297 532366075 /nfs/dbraw/zinc/36/60/75/532366075.db2.gz RBWFCIFNYLHYBC-YVEFUNNKSA-N 1 0 381.270 2.103 20 0 GEADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C2 ZINC000621699649 532366365 /nfs/dbraw/zinc/36/63/65/532366365.db2.gz ACQQHYNKGOFOMW-JJAZEVLHSA-N 1 0 380.286 2.262 20 0 GEADRO C[C@H](CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)n1cc(Br)cn1 ZINC000647088309 532366822 /nfs/dbraw/zinc/36/68/22/532366822.db2.gz XBWASSYMNKWQQY-VMGRFDJRSA-N 1 0 399.333 2.342 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)C[C@H]1C ZINC000677182041 532367342 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C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1ccc(I)cc1 ZINC000590404193 532371833 /nfs/dbraw/zinc/37/18/33/532371833.db2.gz XBOUWFSRNOQZRX-BXUZGUMPSA-N 1 0 388.249 2.221 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccnc1-n1cc(Br)cn1 ZINC000294638691 532371849 /nfs/dbraw/zinc/37/18/49/532371849.db2.gz UVSUZKPPKDASHB-LBPRGKRZSA-N 1 0 390.285 2.244 20 0 GEADRO C[C@@H](Sc1nncn1C)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000647697265 532380133 /nfs/dbraw/zinc/38/01/33/532380133.db2.gz KTNMXWUFPOMLNA-OCCSQVGLSA-N 1 0 381.933 2.411 20 0 GEADRO COC(=O)C[C@@]1([NH2+]Cc2cnc3c(C)cc(Br)cn23)CCOC1 ZINC000463715129 532380626 /nfs/dbraw/zinc/38/06/26/532380626.db2.gz MZIXBAXQSAEDGS-INIZCTEOSA-N 1 0 382.258 2.217 20 0 GEADRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCOC1 ZINC000463730339 532380713 /nfs/dbraw/zinc/38/07/13/532380713.db2.gz QVJCCUQCZQMQMQ-INIZCTEOSA-N 1 0 386.242 2.032 20 0 GEADRO Cc1ccc(OCCC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(Br)c1 ZINC000647709425 532380887 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CC1(OCC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C[NH2+]C1 ZINC000647913511 532383874 /nfs/dbraw/zinc/38/38/74/532383874.db2.gz BKUYFECZJBCJND-UHFFFAOYSA-N 1 0 379.258 2.011 20 0 GEADRO Cn1ncc(Br)c1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000278531806 532384068 /nfs/dbraw/zinc/38/40/68/532384068.db2.gz RUFQRJQKCJEGCZ-NVXWUHKLSA-N 1 0 393.329 2.155 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372311946 532384126 /nfs/dbraw/zinc/38/41/26/532384126.db2.gz QBLQPPJNDKBOHS-BBRMVZONSA-N 1 0 389.924 2.126 20 0 GEADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192076457 532384512 /nfs/dbraw/zinc/38/45/12/532384512.db2.gz XXHLLCKVQKNBGI-RRFJBIMHSA-N 1 0 380.286 2.188 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC(C)(C)CO ZINC000294797184 532384583 /nfs/dbraw/zinc/38/45/83/532384583.db2.gz MOYHCFAUWNAOOV-LBPRGKRZSA-N 1 0 387.318 2.461 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000294830121 532385664 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C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000678755416 532401536 /nfs/dbraw/zinc/40/15/36/532401536.db2.gz DCVDXMFUAKXFOH-STQMWFEESA-N 1 0 385.302 2.328 20 0 GEADRO C[C@H]1CCSCCN1C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000559405551 532402517 /nfs/dbraw/zinc/40/25/17/532402517.db2.gz LLOXGDTVYCWSHR-GJZGRUSLSA-N 1 0 381.567 2.355 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)[C@@H]2C1 ZINC000559439619 532403834 /nfs/dbraw/zinc/40/38/34/532403834.db2.gz KJUVDMMLFFBDFF-CZUORRHYSA-N 1 0 381.929 2.101 20 0 GEADRO Cc1nccc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1Br ZINC000559459705 532403928 /nfs/dbraw/zinc/40/39/28/532403928.db2.gz RLRXUNZQNHJNMS-LBPRGKRZSA-N 1 0 385.306 2.197 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000295100787 532404649 /nfs/dbraw/zinc/40/46/49/532404649.db2.gz STCCGTVQCIQMSA-JMSVASOKSA-N 1 0 385.302 2.213 20 0 GEADRO CCS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000192738785 532407027 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ORCNBVWGMPQDSP-UHFFFAOYSA-N 1 0 397.313 2.289 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000626847809 532444128 /nfs/dbraw/zinc/44/41/28/532444128.db2.gz VLKZIPVYPQWFCR-LBPRGKRZSA-N 1 0 390.228 2.122 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626842419 532444332 /nfs/dbraw/zinc/44/43/32/532444332.db2.gz MPVDYTWMIBWWRA-CQSZACIVSA-N 1 0 394.313 2.317 20 0 GEADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626849643 532444511 /nfs/dbraw/zinc/44/45/11/532444511.db2.gz CUOFTHZVRXYTKA-LLVKDONJSA-N 1 0 388.212 2.067 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000626921311 532445159 /nfs/dbraw/zinc/44/51/59/532445159.db2.gz KJSBUAIXNGSRBG-GXTWGEPZSA-N 1 0 383.290 2.136 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1c(F)cccc1Br)C1CC[NH+](C)CC1 ZINC000682192772 532441725 /nfs/dbraw/zinc/44/17/25/532441725.db2.gz OFBZJUINUBRVNM-JTQLQIEISA-N 1 0 386.265 2.373 20 0 GEADRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCNS(=O)(=O)c1ccccc1Cl 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397.313 2.058 20 0 GEADRO C[C@@H](C(=O)N[C@@H]1CSc2ccc(Br)cc21)N1CCN(C)CC1 ZINC000428209400 532448323 /nfs/dbraw/zinc/44/83/23/532448323.db2.gz POYMGOWPHHWESR-SMDDNHRTSA-N 1 0 384.343 2.348 20 0 GEADRO CSC[C@@H](CCO)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373430804 532448986 /nfs/dbraw/zinc/44/89/86/532448986.db2.gz IPOKPHORLXKRDA-IYXRBSQSSA-N 1 0 383.480 2.205 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])C(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000592283466 532446210 /nfs/dbraw/zinc/44/62/10/532446210.db2.gz WZQZVGBTKSIDAT-RRFJBIMHSA-N 1 0 383.286 2.147 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C1(c2cccc(Br)c2)CC1 ZINC000650596780 532449836 /nfs/dbraw/zinc/44/98/36/532449836.db2.gz DBJKHNOGTZHBMH-MRXNPFEDSA-N 1 0 381.314 2.444 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(OC)cc2I)CC[C@@H]1[NH3+] ZINC000592333367 532450887 /nfs/dbraw/zinc/45/08/87/532450887.db2.gz YGGITKZJNASEAN-YGRLFVJLSA-N 1 0 388.249 2.499 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCn1cc(Br)ccc1=O ZINC000561755752 532450886 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COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592379781 532453118 /nfs/dbraw/zinc/45/31/18/532453118.db2.gz OWNUAOACOHLWKD-CYBMUJFWSA-N 1 0 382.507 2.306 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467719345 532453461 /nfs/dbraw/zinc/45/34/61/532453461.db2.gz ZYKXVNFPAYVNFG-AGUYFDCRSA-N 1 0 395.297 2.101 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000428637612 532455664 /nfs/dbraw/zinc/45/56/64/532455664.db2.gz NOFKNYGKOXDWDE-XJKSGUPXSA-N 1 0 396.329 2.319 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000562011177 532455976 /nfs/dbraw/zinc/45/59/76/532455976.db2.gz SXCWPTOOMPWFAG-IUODEOHRSA-N 1 0 382.302 2.006 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[C@@H](C)CO ZINC000295532639 532456103 /nfs/dbraw/zinc/45/61/03/532456103.db2.gz WUNGQZITIQFIKA-OLZOCXBDSA-N 1 0 387.318 2.461 20 0 GEADRO Cc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000467838742 532456177 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CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)[NH3+] ZINC000194870034 532461072 /nfs/dbraw/zinc/46/10/72/532461072.db2.gz QGISBSICZZRONF-TVQRCGJNSA-N 1 0 378.325 2.308 20 0 GEADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000428884610 532464036 /nfs/dbraw/zinc/46/40/36/532464036.db2.gz HNYJMADBSMNZQY-UHFFFAOYSA-N 1 0 382.180 2.260 20 0 GEADRO Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000592789307 532464426 /nfs/dbraw/zinc/46/44/26/532464426.db2.gz JYKVQDJLONOXKG-ZDUSSCGKSA-N 1 0 378.567 2.475 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000428904125 532464732 /nfs/dbraw/zinc/46/47/32/532464732.db2.gz YNNDOUFNCDULJK-CYBMUJFWSA-N 1 0 385.555 2.122 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000295643642 532465811 /nfs/dbraw/zinc/46/58/11/532465811.db2.gz UAPJUBJKLYAOKC-LBPRGKRZSA-N 1 0 385.277 2.441 20 0 GEADRO O=C(CSc1ccc(C(F)(F)F)cn1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295638237 532466340 /nfs/dbraw/zinc/46/63/40/532466340.db2.gz AVSVOVYLIDOIQI-ZDUSSCGKSA-N 1 0 377.432 2.156 20 0 GEADRO COCCOC[C@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000295644371 532466432 /nfs/dbraw/zinc/46/64/32/532466432.db2.gz CKIOQWCFHIKORL-OAHLLOKOSA-N 1 0 388.302 2.316 20 0 GEADRO C[C@@H]1[C@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CCC[N@@H+]1C ZINC000428965749 532466591 /nfs/dbraw/zinc/46/65/91/532466591.db2.gz IATLPQZYKQNLSV-FRFSOERESA-N 1 0 398.345 2.382 20 0 GEADRO CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000468486547 532466800 /nfs/dbraw/zinc/46/68/00/532466800.db2.gz HOWHPGXZVUYYRQ-ZDUSSCGKSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000428966548 532466905 /nfs/dbraw/zinc/46/69/05/532466905.db2.gz KQYFKSMLJOSCAU-DYEKYZERSA-N 1 0 382.302 2.072 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)CCC[N@@H+]1C ZINC000428967251 532467172 /nfs/dbraw/zinc/46/71/72/532467172.db2.gz MDJYCWSWOJPFDJ-KEYYUXOJSA-N 1 0 398.345 2.382 20 0 GEADRO COC(=O)Cn1cc(C[NH2+][C@H](C)Cc2ccc(F)c(Br)c2)nn1 ZINC000295610680 532463136 /nfs/dbraw/zinc/46/31/36/532463136.db2.gz GILNBICDIDNRMQ-SNVBAGLBSA-N 1 0 385.237 2.074 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000373692450 532463191 /nfs/dbraw/zinc/46/31/91/532463191.db2.gz CJPOFDJRLPEALV-UHFFFAOYSA-N 1 0 378.897 2.088 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1Br ZINC000194919367 532463279 /nfs/dbraw/zinc/46/32/79/532463279.db2.gz LQUBBRJRQVBNJU-BETUJISGSA-N 1 0 380.286 2.024 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CCC1 ZINC000429005000 532468046 /nfs/dbraw/zinc/46/80/46/532468046.db2.gz LVLDJBZYXFLGJD-HNNXBMFYSA-N 1 0 398.345 2.384 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000468551151 532468447 /nfs/dbraw/zinc/46/84/47/532468447.db2.gz CADXBUAWSMGRFP-OAHLLOKOSA-N 1 0 396.329 2.208 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ncnc2cc(Br)sc21 ZINC000651360136 532468885 /nfs/dbraw/zinc/46/88/85/532468885.db2.gz RGNLHDOGYUJUPV-VIFPVBQESA-N 1 0 384.303 2.010 20 0 GEADRO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2CCCOc1cccc(I)c1 ZINC000593103474 532469581 /nfs/dbraw/zinc/46/95/81/532469581.db2.gz ZFCVAIDUACEOQP-PTAUBWNISA-N 1 0 391.274 2.265 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000429051314 532470128 /nfs/dbraw/zinc/47/01/28/532470128.db2.gz WXIGEIZEYNLZEZ-TVQRCGJNSA-N 1 0 387.267 2.052 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000562518111 532470405 /nfs/dbraw/zinc/47/04/05/532470405.db2.gz REYNLILRKYPBOS-UHFFFAOYSA-N 1 0 387.477 2.459 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429332335 532473855 /nfs/dbraw/zinc/47/38/55/532473855.db2.gz LYPUJQVNDBFCDM-UHFFFAOYSA-N 1 0 376.254 2.285 20 0 GEADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000468689379 532471334 /nfs/dbraw/zinc/47/13/34/532471334.db2.gz UACCGOXIDYJCCV-AWEZNQCLSA-N 1 0 387.571 2.461 20 0 GEADRO C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@H]1C[NH3+] ZINC000429194689 532471352 /nfs/dbraw/zinc/47/13/52/532471352.db2.gz QTEMOHXGLQZZBP-WWGRRREGSA-N 1 0 394.313 2.388 20 0 GEADRO C[C@](CO)([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000562548830 532471649 /nfs/dbraw/zinc/47/16/49/532471649.db2.gz SNZCMUZJACFHNK-IXDOHACOSA-N 1 0 378.296 2.347 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429178705 532471927 /nfs/dbraw/zinc/47/19/27/532471927.db2.gz DGMTUIVYNSQDHE-RCBQFDQVSA-N 1 0 396.329 2.399 20 0 GEADRO O=S(=O)(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCCOCC1 ZINC000651517015 532472006 /nfs/dbraw/zinc/47/20/06/532472006.db2.gz PWMPPCXZAAKUJI-QGZVFWFLSA-N 1 0 387.933 2.034 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(NS(C)(=O)=O)c(OC)c1 ZINC000468501990 532467500 /nfs/dbraw/zinc/46/75/00/532467500.db2.gz TXHDQRNAEIYGIT-UHFFFAOYSA-N 1 0 389.543 2.080 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683912296 532467600 /nfs/dbraw/zinc/46/76/00/532467600.db2.gz LADKEQCTOAOECU-CXAGYDPISA-N 1 0 385.302 2.132 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000429418125 532476756 /nfs/dbraw/zinc/47/67/56/532476756.db2.gz IMCOXHPBNXSCFR-ZDUSSCGKSA-N 1 0 379.473 2.031 20 0 GEADRO CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1cccc(Br)c1 ZINC000429452514 532476839 /nfs/dbraw/zinc/47/68/39/532476839.db2.gz NSHDYFURYOYWKB-AWEZNQCLSA-N 1 0 378.336 2.322 20 0 GEADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000519760045 532477055 /nfs/dbraw/zinc/47/70/55/532477055.db2.gz OOFJTIGUDYXRFT-OCCSQVGLSA-N 1 0 389.279 2.393 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000429432281 532477102 /nfs/dbraw/zinc/47/71/02/532477102.db2.gz ULCUHWUREGLVJQ-GXTWGEPZSA-N 1 0 378.332 2.013 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000429432286 532477245 /nfs/dbraw/zinc/47/72/45/532477245.db2.gz ULCUHWUREGLVJQ-TZMCWYRMSA-N 1 0 378.332 2.013 20 0 GEADRO C[C@@H](CNS(=O)(=O)Cc1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000651574703 532478337 /nfs/dbraw/zinc/47/83/37/532478337.db2.gz FDZWIYKJQPIMHW-JTQLQIEISA-N 1 0 386.370 2.110 20 0 GEADRO [NH3+]C[C@H](NC(=O)CCC(=O)c1ccc(I)cc1)C1CC1 ZINC000429564037 532479657 /nfs/dbraw/zinc/47/96/57/532479657.db2.gz OJDGYPZLXPGLAO-ZDUSSCGKSA-N 1 0 386.233 2.108 20 0 GEADRO CC(C)C[C@H]([NH3+])c1noc(-c2cc(S(N)(=O)=O)c(Br)s2)n1 ZINC000563120843 532496846 /nfs/dbraw/zinc/49/68/46/532496846.db2.gz IEBLYHHFNMQFPH-LURJTMIESA-N 1 0 395.304 2.254 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)C[C@H]2CCCCC2(F)F)CC1 ZINC000562725297 532480760 /nfs/dbraw/zinc/48/07/60/532480760.db2.gz LFWYGAJIYAZLLB-OAHLLOKOSA-N 1 0 381.533 2.147 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000629172741 532481354 /nfs/dbraw/zinc/48/13/54/532481354.db2.gz DMWOPPLFTYJSRE-SNVBAGLBSA-N 1 0 381.192 2.264 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000429615521 532481384 /nfs/dbraw/zinc/48/13/84/532481384.db2.gz ZWDDMYABKNDFEB-GJZGRUSLSA-N 1 0 387.571 2.123 20 0 GEADRO COCC[C@]1(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)CC[NH2+]C1 ZINC000429755377 532482363 /nfs/dbraw/zinc/48/23/63/532482363.db2.gz HQZRVJLLNCVVIO-QGZVFWFLSA-N 1 0 388.295 2.407 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CNC(=O)c1ccc(Br)s1 ZINC000684825825 532484133 /nfs/dbraw/zinc/48/41/33/532484133.db2.gz SYPXFOKDTBEANO-LLVKDONJSA-N 1 0 388.331 2.183 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000374025820 532484351 /nfs/dbraw/zinc/48/43/51/532484351.db2.gz ZGJXINRHHNYSSO-SKDRFNHKSA-N 1 0 399.314 2.028 20 0 GEADRO [NH3+]C1C[C@H]2CS(=O)(=O)C[C@@H](C1)C2NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000374032502 532484794 /nfs/dbraw/zinc/48/47/94/532484794.db2.gz BBDGZHFXSTTZPX-FIMLBJSESA-N 1 0 395.283 2.013 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000562823553 532485335 /nfs/dbraw/zinc/48/53/35/532485335.db2.gz IUNQWIDPRSVMNI-UHFFFAOYSA-N 1 0 377.819 2.062 20 0 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C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCSc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000284300143 532585594 /nfs/dbraw/zinc/58/55/94/532585594.db2.gz UHPILRFQEVHWEO-ZFWWWQNUSA-N 1 0 383.945 2.489 20 0 GEADRO C[C@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)c1cnn(C)c1 ZINC000565935940 532585544 /nfs/dbraw/zinc/58/55/44/532585544.db2.gz PKSVAKDRNIGLKC-NSHDSACASA-N 1 0 394.273 2.156 20 0 GEADRO O=C(Nc1ccnc(Br)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000297384762 532585901 /nfs/dbraw/zinc/58/59/01/532585901.db2.gz MHTYIOCQQSGNQJ-ZIAGYGMSSA-N 1 0 383.290 2.343 20 0 GEADRO Cc1ccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1I ZINC000473276886 532586826 /nfs/dbraw/zinc/58/68/26/532586826.db2.gz ADUPVRTVLYVNAC-HNNXBMFYSA-N 1 0 390.265 2.032 20 0 GEADRO O=C1C[C@@]2(CC[N@@H+](Cc3cc4c(cc3Br)OCCCO4)C2)CN1 ZINC000375927774 532587384 /nfs/dbraw/zinc/58/73/84/532587384.db2.gz NRDHTLOLRZVNFJ-KRWDZBQOSA-N 1 0 381.270 2.322 20 0 GEADRO Brc1ccc(-n2cc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cn2)cc1 ZINC000262168655 532587602 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[NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)C[C@@H]12 ZINC000262360742 532590139 /nfs/dbraw/zinc/59/01/39/532590139.db2.gz INHPUTYFJZSPPX-RAIGVLPGSA-N 1 0 376.507 2.195 20 0 GEADRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000284407407 532590840 /nfs/dbraw/zinc/59/08/40/532590840.db2.gz QEQOQZYBRAKFRR-JTQLQIEISA-N 1 0 377.304 2.052 20 0 GEADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000566108647 532592829 /nfs/dbraw/zinc/59/28/29/532592829.db2.gz XDYFCMBEUOBTDY-KRWDZBQOSA-N 1 0 382.913 2.284 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1=Cc2cc(Br)ccc2OC1 ZINC000434418481 532593822 /nfs/dbraw/zinc/59/38/22/532593822.db2.gz AUKVZGWJQDTDMX-MRXNPFEDSA-N 1 0 395.297 2.188 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655511448 532594002 /nfs/dbraw/zinc/59/40/02/532594002.db2.gz DTCBJMJKAPWLPH-ZWNOBZJWSA-N 1 0 398.472 2.357 20 0 GEADRO C[C@H]1CN(C(=O)NCCc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000434468904 532594544 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Cn1ccnc1Sc1ncc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1Cl ZINC000565595542 532571697 /nfs/dbraw/zinc/57/16/97/532571697.db2.gz ATXAFNWKCRXKOE-SNVBAGLBSA-N 1 0 375.832 2.332 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1Br ZINC000631996248 532572067 /nfs/dbraw/zinc/57/20/67/532572067.db2.gz YQVLZFOFGISDMA-FZMZJTMJSA-N 1 0 389.315 2.220 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631994944 532572610 /nfs/dbraw/zinc/57/26/10/532572610.db2.gz UXOJJSQTDLRALA-SMDDNHRTSA-N 1 0 389.315 2.220 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000654887765 532572768 /nfs/dbraw/zinc/57/27/68/532572768.db2.gz RXQDDWSJMYFMRM-WAAGHKOSSA-N 1 0 390.228 2.122 20 0 GEADRO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000375660170 532573160 /nfs/dbraw/zinc/57/31/60/532573160.db2.gz ZTOULFLPHOBGHO-VDERGJSUSA-N 1 0 386.539 2.002 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000654886275 532573529 /nfs/dbraw/zinc/57/35/29/532573529.db2.gz VCDOGWYCODUPMS-JGZJWPJOSA-N 1 0 388.693 2.497 20 0 GEADRO CCCN(CCc1cccs1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000284028855 532573566 /nfs/dbraw/zinc/57/35/66/532573566.db2.gz KBCBBDNREMIDCG-SFHVURJKSA-N 1 0 383.583 2.083 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000595765903 532573836 /nfs/dbraw/zinc/57/38/36/532573836.db2.gz LFCGUQIXIGADBZ-SMDDNHRTSA-N 1 0 388.249 2.383 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Br ZINC000654889924 532574279 /nfs/dbraw/zinc/57/42/79/532574279.db2.gz FEVNEQWYVYRXTH-BETUJISGSA-N 1 0 382.302 2.461 20 0 GEADRO Cn1cc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c(C(F)(F)F)n1 ZINC000654935552 532575407 /nfs/dbraw/zinc/57/54/07/532575407.db2.gz QYXFRZAFMOIJOH-CYBMUJFWSA-N 1 0 376.448 2.273 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000472508245 532576191 /nfs/dbraw/zinc/57/61/91/532576191.db2.gz YLYXKDNRLPOVGH-INIZCTEOSA-N 1 0 385.302 2.227 20 0 GEADRO NC(=O)c1ncc(Br)cc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000472495899 532576498 /nfs/dbraw/zinc/57/64/98/532576498.db2.gz HTKILMVERIGIBQ-SMDDNHRTSA-N 1 0 379.302 2.396 20 0 GEADRO O=C(C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)Nc1ccc(Br)cc1 ZINC000565756894 532576895 /nfs/dbraw/zinc/57/68/95/532576895.db2.gz ZADRQXKEVHRLHE-WQVCFCJDSA-N 1 0 383.286 2.249 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[NH+]2CCC1CC2 ZINC000565760738 532576993 /nfs/dbraw/zinc/57/69/93/532576993.db2.gz YLYYUSMKERJLKW-UHFFFAOYSA-N 1 0 378.274 2.315 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Br)cc1 ZINC000261737938 532577613 /nfs/dbraw/zinc/57/76/13/532577613.db2.gz DDBXRDSQDCNMPL-WBVHZDCISA-N 1 0 382.302 2.214 20 0 GEADRO O=C(c1csc(I)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261751948 532578075 /nfs/dbraw/zinc/57/80/75/532578075.db2.gz JALYXWHXSFHOBI-AOOOYVTPSA-N 1 0 376.263 2.424 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000261745473 532578657 /nfs/dbraw/zinc/57/86/57/532578657.db2.gz DPLPGKMTBZGPAN-LBPRGKRZSA-N 1 0 398.198 2.154 20 0 GEADRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc(Br)cc2c1OCC2 ZINC000261972488 532579306 /nfs/dbraw/zinc/57/93/06/532579306.db2.gz IHOZVIGQPNKVTN-OAHLLOKOSA-N 1 0 377.286 2.264 20 0 GEADRO COc1cc(I)c(C(=O)N(C)CC(C)(C)[NH3+])cc1OC ZINC000595941200 532580010 /nfs/dbraw/zinc/58/00/10/532580010.db2.gz BIUGJPWCHOEARE-UHFFFAOYSA-N 1 0 392.237 2.118 20 0 GEADRO O=S(=O)(N1CCC1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000375719610 532580143 /nfs/dbraw/zinc/58/01/43/532580143.db2.gz WZZJJWUAAWCTCV-UHFFFAOYSA-N 1 0 377.432 2.164 20 0 GEADRO COCC[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000284165457 532580323 /nfs/dbraw/zinc/58/03/23/532580323.db2.gz WRJNBFHUVIEMIA-HNNXBMFYSA-N 1 0 386.279 2.258 20 0 GEADRO C[C@@H](SCc1ccccc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261951824 532580327 /nfs/dbraw/zinc/58/03/27/532580327.db2.gz KEZCGUABDDZZCC-HIFRSBDPSA-N 1 0 375.460 2.261 20 0 GEADRO COc1cc(Br)ccc1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261964213 532580400 /nfs/dbraw/zinc/58/04/00/532580400.db2.gz HOTKCDZIVBLHQD-OAHLLOKOSA-N 1 0 384.318 2.277 20 0 GEADRO COCC1(C(=O)N(C)Cc2cc(Br)ccc2OC)CC[NH2+]CC1 ZINC000261953491 532580444 /nfs/dbraw/zinc/58/04/44/532580444.db2.gz WRCPXKMMZFFISE-UHFFFAOYSA-N 1 0 385.302 2.432 20 0 GEADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000297322791 532580949 /nfs/dbraw/zinc/58/09/49/532580949.db2.gz LNLJEKHUPGLCPC-LBPRGKRZSA-N 1 0 393.289 2.441 20 0 GEADRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000472662666 532580871 /nfs/dbraw/zinc/58/08/71/532580871.db2.gz YEJBAYKQKDNHRU-UHFFFAOYSA-N 1 0 391.921 2.063 20 0 GEADRO Cc1c(Br)cccc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261984423 532581045 /nfs/dbraw/zinc/58/10/45/532581045.db2.gz MKGJYMHDNWMKQJ-CYBMUJFWSA-N 1 0 394.235 2.323 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000433864705 532581500 /nfs/dbraw/zinc/58/15/00/532581500.db2.gz LMSJYUQQQFNGGQ-CYBMUJFWSA-N 1 0 378.922 2.292 20 0 GEADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[N@@H+](C)CCN(C)C ZINC000566524655 532614543 /nfs/dbraw/zinc/61/45/43/532614543.db2.gz BQAOWIQHXICECA-UHFFFAOYSA-N 1 0 381.464 2.176 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000597187033 532614579 /nfs/dbraw/zinc/61/45/79/532614579.db2.gz MXKQUNGKIICVKE-JKSUJKDBSA-N 1 0 394.269 2.363 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000474365340 532614624 /nfs/dbraw/zinc/61/46/24/532614624.db2.gz IVPLCAPQNKBIQK-FZMZJTMJSA-N 1 0 376.284 2.047 20 0 GEADRO COc1ccc(CN2CC[C@@H]2CNC(=O)c2c(Br)cnn2C)cc1 ZINC000529832021 532615004 /nfs/dbraw/zinc/61/50/04/532615004.db2.gz AIRAJEODMPSZJM-CYBMUJFWSA-N 1 0 393.285 2.196 20 0 GEADRO COc1ccc(CN2CC[C@H]2CNC(=O)c2c(Br)cnn2C)cc1 ZINC000529832022 532615675 /nfs/dbraw/zinc/61/56/75/532615675.db2.gz AIRAJEODMPSZJM-ZDUSSCGKSA-N 1 0 393.285 2.196 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1OCCc2sccc21 ZINC000297985549 532616121 /nfs/dbraw/zinc/61/61/21/532616121.db2.gz AAAHQHOWCKNRNU-NOZJJQNGSA-N 1 0 379.404 2.118 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)NCc1ccc2c[nH+]cn2c1 ZINC000298009388 532616740 /nfs/dbraw/zinc/61/67/40/532616740.db2.gz OOFRZGZGQVARAD-UHFFFAOYSA-N 1 0 377.246 2.183 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000566567635 532617868 /nfs/dbraw/zinc/61/78/68/532617868.db2.gz SNCXXUFUDYZMKC-UHFFFAOYSA-N 1 0 391.299 2.177 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000474453831 532618367 /nfs/dbraw/zinc/61/83/67/532618367.db2.gz HHEGFRPMBMXKRB-HUUCEWRRSA-N 1 0 397.317 2.149 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000597511456 532619464 /nfs/dbraw/zinc/61/94/64/532619464.db2.gz YTBVZXFTYQQHOX-STQMWFEESA-N 1 0 375.416 2.458 20 0 GEADRO Cc1ncsc1CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000298055718 532621172 /nfs/dbraw/zinc/62/11/72/532621172.db2.gz QTNDBPGDRJZHSY-UHFFFAOYSA-N 1 0 380.539 2.062 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1C ZINC000435601624 532621261 /nfs/dbraw/zinc/62/12/61/532621261.db2.gz OVYZZEPKIDKESV-YPMHNXCESA-N 1 0 385.306 2.484 20 0 GEADRO COc1ncc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1Cl ZINC000284499012 532596264 /nfs/dbraw/zinc/59/62/64/532596264.db2.gz VOCUXMBHDYURGJ-LBPRGKRZSA-N 1 0 384.885 2.360 20 0 GEADRO Cc1cnc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(I)c1 ZINC000596538446 532596673 /nfs/dbraw/zinc/59/66/73/532596673.db2.gz KVMREXHRERSFMJ-CYBMUJFWSA-N 1 0 387.265 2.030 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1Cl ZINC000655546751 532596965 /nfs/dbraw/zinc/59/69/65/532596965.db2.gz MMIUIWHLZOFEFZ-MAUKXSAKSA-N 1 0 385.961 2.295 20 0 GEADRO Cc1ncc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000297593717 532597044 /nfs/dbraw/zinc/59/70/44/532597044.db2.gz CKQBJMTWVZBPFG-UHFFFAOYSA-N 1 0 380.539 2.062 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C(N)=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000632286150 532597100 /nfs/dbraw/zinc/59/71/00/532597100.db2.gz IBQAYCGITDXORC-RRFJBIMHSA-N 1 0 382.302 2.164 20 0 GEADRO C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)C[C@H]1CCCC(F)(F)C1 ZINC000632285756 532597219 /nfs/dbraw/zinc/59/72/19/532597219.db2.gz BJOMKLLMLDCUQE-GJZGRUSLSA-N 1 0 380.501 2.327 20 0 GEADRO Cc1sc(CN2CCC([NH3+])CC2)nc1-c1ccc(NS(C)(=O)=O)cc1 ZINC000434661063 532598107 /nfs/dbraw/zinc/59/81/07/532598107.db2.gz GGGGUNVBGLJEKY-UHFFFAOYSA-N 1 0 380.539 2.413 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)c1ccc(Br)cc1 ZINC000262692889 532598055 /nfs/dbraw/zinc/59/80/55/532598055.db2.gz ANBWNGPEGSNESE-HWWQOWPSSA-N 1 0 382.302 2.225 20 0 GEADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(Br)c1 ZINC000284527293 532599022 /nfs/dbraw/zinc/59/90/22/532599022.db2.gz ZRVFMXZFPVPTBO-CQSZACIVSA-N 1 0 397.313 2.390 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000434702069 532599324 /nfs/dbraw/zinc/59/93/24/532599324.db2.gz JGDXUGGETYPYLT-RCBQFDQVSA-N 1 0 396.329 2.460 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2ccco2)c(Br)c1 ZINC000284525066 532599325 /nfs/dbraw/zinc/59/93/25/532599325.db2.gz ZLHXLECZEMSCAF-UHFFFAOYSA-N 1 0 381.226 2.348 20 0 GEADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000262756128 532600239 /nfs/dbraw/zinc/60/02/39/532600239.db2.gz HOMVHRBIENPSJP-SNVBAGLBSA-N 1 0 397.444 2.111 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262750815 532600273 /nfs/dbraw/zinc/60/02/73/532600273.db2.gz GHGJTDPXQWSUKL-DTWKUNHWSA-N 1 0 381.267 2.016 20 0 GEADRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000434698365 532600659 /nfs/dbraw/zinc/60/06/59/532600659.db2.gz FFYAPSDTFXEJCG-ZIAGYGMSSA-N 1 0 377.312 2.386 20 0 GEADRO C[C@H](CN1CCOCC1)[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000434704918 532600751 /nfs/dbraw/zinc/60/07/51/532600751.db2.gz ZWAUSJLZYQAORA-CQSZACIVSA-N 1 0 384.318 2.430 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(OC)cc1Br ZINC000262783054 532600804 /nfs/dbraw/zinc/60/08/04/532600804.db2.gz PJBWTZPSLQOKPR-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262778541 532600932 /nfs/dbraw/zinc/60/09/32/532600932.db2.gz OKJWFAZIUZQQKU-ZJUUUORDSA-N 1 0 393.278 2.112 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCc4c(nnn4C)C3)cnc12 ZINC000655840724 532601434 /nfs/dbraw/zinc/60/14/34/532601434.db2.gz INYSGJUEAHXSLX-GFCCVEGCSA-N 1 0 375.274 2.181 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1Cl ZINC000262803047 532601933 /nfs/dbraw/zinc/60/19/33/532601933.db2.gz VZFIHZAZULBAFJ-RKDXNWHRSA-N 1 0 397.722 2.482 20 0 GEADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(OC)cc2Br)CC1 ZINC000262799754 532602149 /nfs/dbraw/zinc/60/21/49/532602149.db2.gz VCIWMKKONAVQHL-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000262796610 532602458 /nfs/dbraw/zinc/60/24/58/532602458.db2.gz UDJVXETVMWOSID-NSHDSACASA-N 1 0 377.304 2.126 20 0 GEADRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)[C@H]1C ZINC000262811715 532602603 /nfs/dbraw/zinc/60/26/03/532602603.db2.gz YFZBBEITBCXLSD-MELADBBJSA-N 1 0 388.917 2.126 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C(F)(F)F ZINC000655913894 532602597 /nfs/dbraw/zinc/60/25/97/532602597.db2.gz CNTKCJYPTBZIHI-CMPLNLGQSA-N 1 0 395.223 2.217 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCCc1cnc(SC2CCCC2)nc1)C(F)(F)F ZINC000655927610 532603624 /nfs/dbraw/zinc/60/36/24/532603624.db2.gz PNUNVSVRCRUUFH-GFCCVEGCSA-N 1 0 377.436 2.243 20 0 GEADRO O=C(c1ccsc1C(F)(F)F)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000529466886 532603760 /nfs/dbraw/zinc/60/37/60/532603760.db2.gz HGUJGVYSKDSGID-LLVKDONJSA-N 1 0 375.416 2.193 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632347504 532603987 /nfs/dbraw/zinc/60/39/87/532603987.db2.gz QHPDMMSPGYPPPD-UHFFFAOYSA-N 1 0 391.921 2.327 20 0 GEADRO COc1cc(CN(C)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c(SC)cc1OC ZINC000655919731 532604507 /nfs/dbraw/zinc/60/45/07/532604507.db2.gz RDPXGCRNRYOICJ-ZDUSSCGKSA-N 1 0 381.420 2.457 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]1 ZINC000262876896 532605065 /nfs/dbraw/zinc/60/50/65/532605065.db2.gz MYLFXSNYVQQIBP-UXIGCNINSA-N 1 0 380.286 2.059 20 0 GEADRO O=C(NCCc1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000297731803 532605468 /nfs/dbraw/zinc/60/54/68/532605468.db2.gz ZVJWTEKJQMGPJM-UHFFFAOYSA-N 1 0 396.329 2.498 20 0 GEADRO C[C@@H]1CN(C)CCN1C(=O)c1cc(I)c(F)cc1F ZINC000434994114 532605668 /nfs/dbraw/zinc/60/56/68/532605668.db2.gz HJONNGQHRUSLKU-MRVPVSSYSA-N 1 0 380.176 2.346 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N[C@H](CCO)c2ccccc2Br)cn1 ZINC000632374565 532606093 /nfs/dbraw/zinc/60/60/93/532606093.db2.gz GGUVZXITUQULFH-MRXNPFEDSA-N 1 0 395.301 2.061 20 0 GEADRO C[N@H+](CC/C=C\c1ccc(Br)cc1)C[C@H](O)CN1CCOCC1 ZINC000434995105 532606134 /nfs/dbraw/zinc/60/61/34/532606134.db2.gz GBIUDINSAFDJDF-VEXQSBSHSA-N 1 0 383.330 2.477 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000262923718 532606499 /nfs/dbraw/zinc/60/64/99/532606499.db2.gz RYIUKJQHQULTIP-GXFFZTMASA-N 1 0 378.274 2.209 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCOC2(C)C)c1 ZINC000566350599 532606719 /nfs/dbraw/zinc/60/67/19/532606719.db2.gz DUXAKWAKOYYCKW-AWEZNQCLSA-N 1 0 391.331 2.193 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000474160768 532607692 /nfs/dbraw/zinc/60/76/92/532607692.db2.gz UZWOGRPCHFNNHQ-LBPRGKRZSA-N 1 0 380.432 2.225 20 0 GEADRO C[NH+](C)CC1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000632382232 532607988 /nfs/dbraw/zinc/60/79/88/532607988.db2.gz JIBPFVYZNSQDEO-UHFFFAOYSA-N 1 0 385.686 2.424 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000376331655 532608288 /nfs/dbraw/zinc/60/82/88/532608288.db2.gz IYJGJVAGVJHSNS-HZPDHXFCSA-N 1 0 379.302 2.356 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000297858173 532610059 /nfs/dbraw/zinc/61/00/59/532610059.db2.gz NLQHCRYCXDTSFY-UHFFFAOYSA-N 1 0 390.347 2.268 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656273690 532610156 /nfs/dbraw/zinc/61/01/56/532610156.db2.gz OCFJRDWVJZQRGC-JKSUJKDBSA-N 1 0 391.313 2.194 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263015844 532611335 /nfs/dbraw/zinc/61/13/35/532611335.db2.gz QIWJYAUVMYMTGP-LRDDRELGSA-N 1 0 383.290 2.149 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 ZINC000566458998 532611515 /nfs/dbraw/zinc/61/15/15/532611515.db2.gz ZXAHBNBTEWOUDI-GOEBONIOSA-N 1 0 377.286 2.493 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000656264147 532611690 /nfs/dbraw/zinc/61/16/90/532611690.db2.gz VGYVJZPTYCLITQ-RHSMWYFYSA-N 1 0 380.286 2.118 20 0 GEADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435246082 532612343 /nfs/dbraw/zinc/61/23/43/532612343.db2.gz PKMMLRWEVVULTM-JKSUJKDBSA-N 1 0 392.297 2.155 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc(F)c1Br ZINC000297923696 532612540 /nfs/dbraw/zinc/61/25/40/532612540.db2.gz QQPWYXSPYDWNLK-UHFFFAOYSA-N 1 0 386.265 2.437 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656289249 532612612 /nfs/dbraw/zinc/61/26/12/532612612.db2.gz PNDMKPGCJKJIPY-HOTGVXAUSA-N 1 0 394.313 2.198 20 0 GEADRO O=S(=O)(c1cnc2ccsc2c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632452535 532612998 /nfs/dbraw/zinc/61/29/98/532612998.db2.gz YPYDHYKCZJICRI-UHFFFAOYSA-N 1 0 381.523 2.172 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000597186704 532613512 /nfs/dbraw/zinc/61/35/12/532613512.db2.gz MHFZBZFWHORVLA-VZJVUDMVSA-N 1 0 385.258 2.086 20 0 GEADRO CCN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435626011 532622809 /nfs/dbraw/zinc/62/28/09/532622809.db2.gz JMMYZYDCYQQTAU-CYBMUJFWSA-N 1 0 387.933 2.146 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000566668342 532623040 /nfs/dbraw/zinc/62/30/40/532623040.db2.gz IZKNZICOCXPZOJ-MRXNPFEDSA-N 1 0 392.301 2.174 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)n1 ZINC000284811619 532623244 /nfs/dbraw/zinc/62/32/44/532623244.db2.gz QKEMCGKZJKQYCG-NEPJUHHUSA-N 1 0 383.290 2.019 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1COCCN1CC(F)F)c1ccsc1 ZINC000474626508 532623329 /nfs/dbraw/zinc/62/33/29/532623329.db2.gz AGHWIFKFGYIICY-CABCVRRESA-N 1 0 375.485 2.213 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nc(Br)sc1C1CC1 ZINC000376719700 532625755 /nfs/dbraw/zinc/62/57/55/532625755.db2.gz YNINDMKTLVYARH-MNOVXSKESA-N 1 0 386.315 2.376 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)C1 ZINC000376711872 532625855 /nfs/dbraw/zinc/62/58/55/532625855.db2.gz OLJXYLBRVCGDCB-LBPRGKRZSA-N 1 0 382.555 2.061 20 0 GEADRO CC1(C)CC(NC(=O)C(=O)Nc2nc3c(s2)CSCC3)CC(C)(C)[NH2+]1 ZINC000376713441 532625998 /nfs/dbraw/zinc/62/59/98/532625998.db2.gz VTZVOEHNGGMWPO-UHFFFAOYSA-N 1 0 382.555 2.296 20 0 GEADRO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000566732558 532626770 /nfs/dbraw/zinc/62/67/70/532626770.db2.gz BTTQJSNYDCIFSQ-KSSFIOAISA-N 1 0 382.346 2.320 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)n1 ZINC000284865220 532628005 /nfs/dbraw/zinc/62/80/05/532628005.db2.gz UVDSTYCLKSXPCC-FRRDWIJNSA-N 1 0 397.317 2.265 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)n1 ZINC000284865227 532628337 /nfs/dbraw/zinc/62/83/37/532628337.db2.gz UVDSTYCLKSXPCC-UPJWGTAASA-N 1 0 397.317 2.265 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000566854291 532628435 /nfs/dbraw/zinc/62/84/35/532628435.db2.gz CFOIHUYEWGCKDL-OAHLLOKOSA-N 1 0 383.286 2.436 20 0 GEADRO CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000566850722 532628634 /nfs/dbraw/zinc/62/86/34/532628634.db2.gz QTXGQXQGQBFULY-MRXNPFEDSA-N 1 0 383.897 2.414 20 0 GEADRO C[N@H+](C[C@@H](O)c1cccc(Br)c1)CC1CCS(=O)(=O)CC1 ZINC000298378927 532646091 /nfs/dbraw/zinc/64/60/91/532646091.db2.gz NVXYPHZGRIEDGH-OAHLLOKOSA-N 1 0 376.316 2.239 20 0 GEADRO Cc1n[nH]cc1-c1nnc(NCc2nc3c(s2)C[N@H+](C(C)C)CC3)s1 ZINC000436153739 532628781 /nfs/dbraw/zinc/62/87/81/532628781.db2.gz KAAMHAYFTOUHJQ-UHFFFAOYSA-N 1 0 375.527 3.072 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000284878479 532629891 /nfs/dbraw/zinc/62/98/91/532629891.db2.gz ORIIVJMREZPUSR-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000530824822 532630032 /nfs/dbraw/zinc/63/00/32/532630032.db2.gz GFQBOKRZBBDWQU-UHFFFAOYSA-N 1 0 375.357 2.357 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000298155128 532630022 /nfs/dbraw/zinc/63/00/22/532630022.db2.gz ZGSXTLLTNBLFIT-BBRMVZONSA-N 1 0 396.329 2.349 20 0 GEADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cc(-c4cccs4)on3)CC2)C1 ZINC000376799737 532630605 /nfs/dbraw/zinc/63/06/05/532630605.db2.gz TVJFQMBLQLBNTD-CQSZACIVSA-N 1 0 381.523 2.144 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1csc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000298169498 532631371 /nfs/dbraw/zinc/63/13/71/532631371.db2.gz RCJIHZBVFHRDQP-AWEZNQCLSA-N 1 0 384.567 2.208 20 0 GEADRO CN(C)C[C@H](NS(=O)(=O)CCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000632612033 532631462 /nfs/dbraw/zinc/63/14/62/532631462.db2.gz ABINKFGAEVREGL-HNNXBMFYSA-N 1 0 381.464 2.179 20 0 GEADRO CN(C)[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000284913667 532631649 /nfs/dbraw/zinc/63/16/49/532631649.db2.gz MUBXPYCXYGXTSR-HZPDHXFCSA-N 1 0 378.519 2.428 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)COc2cccc(I)c2)C1 ZINC000566972713 532633716 /nfs/dbraw/zinc/63/37/16/532633716.db2.gz SHNGDZUJOHRQIB-LBPRGKRZSA-N 1 0 388.249 2.257 20 0 GEADRO COc1cc(C[NH2+][C@H]2CC(=O)N(C)C2)cc(Br)c1OC(F)F ZINC000263690560 532634580 /nfs/dbraw/zinc/63/45/80/532634580.db2.gz CJXMNXMXMDQHTJ-VIFPVBQESA-N 1 0 379.201 2.379 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000284957612 532634642 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C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1[nH]c2ccccc2c1Br ZINC000264441950 532675559 /nfs/dbraw/zinc/67/55/59/532675559.db2.gz OFYGBNYAXDCEKK-GFCCVEGCSA-N 1 0 379.302 2.296 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000378013324 532675882 /nfs/dbraw/zinc/67/58/82/532675882.db2.gz LMVTVGMBJIKLPV-NXEZZACHSA-N 1 0 379.707 2.333 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000285372015 532676141 /nfs/dbraw/zinc/67/61/41/532676141.db2.gz RATLQUKPKBSLDJ-JSGCOSHPSA-N 1 0 386.901 2.374 20 0 GEADRO Cc1[nH+]c2ccc(Br)cc2c(NCCS(=O)(=O)N(C)C)c1C ZINC000568457978 532677171 /nfs/dbraw/zinc/67/71/71/532677171.db2.gz QJJJWZAOFOQTBC-UHFFFAOYSA-N 1 0 386.315 2.339 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(F)ccc2Br)[C@H](C)C1 ZINC000484340720 532677661 /nfs/dbraw/zinc/67/76/61/532677661.db2.gz WTNXXMQJDLGRHK-VXGBXAGGSA-N 1 0 388.281 2.185 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000637631188 532678509 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CS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)s1 ZINC000568609002 532683307 /nfs/dbraw/zinc/68/33/07/532683307.db2.gz RJVQKTMOMJSXFC-ZFWWWQNUSA-N 1 0 385.555 2.215 20 0 GEADRO Cc1ccc(Br)cc1-c1nnc(N2CCN(C)C[C@H]2C[NH3+])s1 ZINC000568611248 532683378 /nfs/dbraw/zinc/68/33/78/532683378.db2.gz MOOYGEMSSQCDOR-GFCCVEGCSA-N 1 0 382.331 2.355 20 0 GEADRO Cc1cc(Br)c(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1Br ZINC000638173628 532683439 /nfs/dbraw/zinc/68/34/39/532683439.db2.gz ZJXUCUZQDMNMJW-VIFPVBQESA-N 1 0 392.091 2.320 20 0 GEADRO O=C(COc1ccccc1Br)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000378312919 532691330 /nfs/dbraw/zinc/69/13/30/532691330.db2.gz FWEKGTWNPLJQKH-HOCLYGCPSA-N 1 0 397.313 2.445 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439438547 532691395 /nfs/dbraw/zinc/69/13/95/532691395.db2.gz LHABBZKEJSFHLL-OAHLLOKOSA-N 1 0 375.282 2.354 20 0 GEADRO CC[C@@](C)([NH3+])c1cn(CC(=O)Nc2ccc(I)cc2)nn1 ZINC000603163518 532691847 /nfs/dbraw/zinc/69/18/47/532691847.db2.gz OXAPGICLFDNAEG-CQSZACIVSA-N 1 0 399.236 2.105 20 0 GEADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)COc1cccc2[nH]ccc21 ZINC000569214883 532692041 /nfs/dbraw/zinc/69/20/41/532692041.db2.gz WQMAELSZCTUDLO-CYBMUJFWSA-N 1 0 379.258 2.156 20 0 GEADRO O=C(NCc1cc(Br)cs1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000569212107 532692257 /nfs/dbraw/zinc/69/22/57/532692257.db2.gz XNKLWSWNMNKAPH-UHFFFAOYSA-N 1 0 394.294 2.411 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285577323 532693011 /nfs/dbraw/zinc/69/30/11/532693011.db2.gz BFLGTHPCOJZNSK-APHBMKBZSA-N 1 0 383.286 2.148 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439440810 532694180 /nfs/dbraw/zinc/69/41/80/532694180.db2.gz QPSSHCAUGOZYFP-SWLSCSKDSA-N 1 0 375.282 2.211 20 0 GEADRO O=C(CCn1cc(Br)cn1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640443211 532694301 /nfs/dbraw/zinc/69/43/01/532694301.db2.gz LKXMLQFIPMONHU-UHFFFAOYSA-N 1 0 378.274 2.170 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000378453494 532695440 /nfs/dbraw/zinc/69/54/40/532695440.db2.gz MQIRPXYNWVGRTM-WFASDCNBSA-N 1 0 386.359 2.495 20 0 GEADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)[C@H]1CCOC1 ZINC000265390378 532695500 /nfs/dbraw/zinc/69/55/00/532695500.db2.gz CMLXYIZHRWNYLZ-AWEZNQCLSA-N 1 0 397.313 2.445 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)CCO2 ZINC000378464384 532696229 /nfs/dbraw/zinc/69/62/29/532696229.db2.gz UMYFTJCBWFCVQI-UKRRQHHQSA-N 1 0 379.400 2.411 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000285663160 532696925 /nfs/dbraw/zinc/69/69/25/532696925.db2.gz HVGBIMJZIRECIY-BLLLJJGKSA-N 1 0 382.302 2.380 20 0 GEADRO Cc1csc(=O)n1CCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640861850 532698899 /nfs/dbraw/zinc/69/88/99/532698899.db2.gz IYVGVSWIEKGMRF-CQSZACIVSA-N 1 0 394.298 2.321 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCn1ccnn1 ZINC000299150383 532698986 /nfs/dbraw/zinc/69/89/86/532698986.db2.gz PIVVHQFOMBZCKV-UHFFFAOYSA-N 1 0 380.290 2.021 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000666688240 532701069 /nfs/dbraw/zinc/70/10/69/532701069.db2.gz JTCGTHHESBFFMF-GFCCVEGCSA-N 1 0 383.290 2.240 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C(F)(F)F)n1 ZINC000266037307 532701048 /nfs/dbraw/zinc/70/10/48/532701048.db2.gz BMSHCIUHPIYXTM-JVLSTEMRSA-N 1 0 379.448 2.390 20 0 GEADRO OC1(C[NH+]2CCOCC2)CCN(c2noc3ccc(Br)cc32)CC1 ZINC000569633779 532701363 /nfs/dbraw/zinc/70/13/63/532701363.db2.gz KFNKBERRXFQLLV-UHFFFAOYSA-N 1 0 396.285 2.254 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cncc(I)c1 ZINC000285725553 532702269 /nfs/dbraw/zinc/70/22/69/532702269.db2.gz IPHCXPVCHLTKFE-FZMZJTMJSA-N 1 0 385.249 2.385 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1Cl ZINC000638763292 532686996 /nfs/dbraw/zinc/68/69/96/532686996.db2.gz XVUZXTUKTDMOTJ-UHFFFAOYSA-N 1 0 382.795 2.036 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000638768742 532687456 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CCO[C@@H]1C[C@](CO)([NH2+]Cc2cnn3cc(Br)cnc23)C1(C)C ZINC000639087353 532689152 /nfs/dbraw/zinc/68/91/52/532689152.db2.gz ZDDLAYGEYIBOQM-CZUORRHYSA-N 1 0 383.290 2.148 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000639085098 532689392 /nfs/dbraw/zinc/68/93/92/532689392.db2.gz UMKXPCWETWHHKY-SMDDNHRTSA-N 1 0 384.395 2.046 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000439359403 532689581 /nfs/dbraw/zinc/68/95/81/532689581.db2.gz OMXRIXSXVXWFME-VIFPVBQESA-N 1 0 390.228 2.218 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cccnc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378311419 532689734 /nfs/dbraw/zinc/68/97/34/532689734.db2.gz HEQVQKXODSMSFY-ZFWWWQNUSA-N 1 0 396.333 2.334 20 0 GEADRO O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)Nc1ccc(Br)cc1 ZINC000298999237 532690132 /nfs/dbraw/zinc/69/01/32/532690132.db2.gz SQJSSOCQXWFKKW-LSDHHAIUSA-N 1 0 395.301 2.314 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)NCc2csc(C(F)(F)F)c2)CC[N@H+](C)C1 ZINC000602380111 532690231 /nfs/dbraw/zinc/69/02/31/532690231.db2.gz XYQQAGSSLWTUPW-LLVKDONJSA-N 1 0 379.404 2.013 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000439363811 532690573 /nfs/dbraw/zinc/69/05/73/532690573.db2.gz XZLJTXRHYAZMTH-JTQLQIEISA-N 1 0 375.803 2.433 20 0 GEADRO CCC[C@]1([NH2+]CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCOC1 ZINC000285544209 532690604 /nfs/dbraw/zinc/69/06/04/532690604.db2.gz LTSXRMPMWUOGML-INIZCTEOSA-N 1 0 376.425 2.170 20 0 GEADRO Cc1ccc(C(=O)N2CCN(C(=O)[C@@]3([NH+](C)C)CCCSC3)CC2)s1 ZINC000378315585 532690889 /nfs/dbraw/zinc/69/08/89/532690889.db2.gz MMMZKRCTTAJCMP-GOSISDBHSA-N 1 0 381.567 2.168 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000378320446 532691176 /nfs/dbraw/zinc/69/11/76/532691176.db2.gz ZOSCACJPERWGJW-CHWSQXEVSA-N 1 0 380.286 2.439 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000569698362 532703209 /nfs/dbraw/zinc/70/32/09/532703209.db2.gz NKZNMBLCJQSVHF-CYBMUJFWSA-N 1 0 384.318 2.002 20 0 GEADRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)C(F)F ZINC000383572739 532703337 /nfs/dbraw/zinc/70/33/37/532703337.db2.gz XZQDMJBROGEXBA-SECBINFHSA-N 1 0 377.638 2.363 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc(Br)ccc2=O)C[C@H]1C ZINC000607121508 532704337 /nfs/dbraw/zinc/70/43/37/532704337.db2.gz LQWOYCQIFFFXOE-HIFRSBDPSA-N 1 0 384.318 2.332 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1 ZINC000666923282 532706056 /nfs/dbraw/zinc/70/60/56/532706056.db2.gz HYVBRFIDQXDFQC-WBVHZDCISA-N 1 0 398.345 2.384 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000666923831 532706125 /nfs/dbraw/zinc/70/61/25/532706125.db2.gz SRRBBPOQWCFVCJ-WBVHZDCISA-N 1 0 398.345 2.384 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC000666923828 532706408 /nfs/dbraw/zinc/70/64/08/532706408.db2.gz SRRBBPOQWCFVCJ-DOTOQJQBSA-N 1 0 398.345 2.384 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000440074714 532707576 /nfs/dbraw/zinc/70/75/76/532707576.db2.gz GFYDMWSQVCQCSM-GFCCVEGCSA-N 1 0 381.420 2.175 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000285788708 532707850 /nfs/dbraw/zinc/70/78/50/532707850.db2.gz XSXCPCWRUPMTRQ-PUAOIOHZSA-N 1 0 375.519 2.316 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1C ZINC000266218276 532707859 /nfs/dbraw/zinc/70/78/59/532707859.db2.gz LBXCEXHVWPHWJE-NWDGAFQWSA-N 1 0 385.295 2.097 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000285798465 532708810 /nfs/dbraw/zinc/70/88/10/532708810.db2.gz QAJDIFMYEPLSLU-RHSMWYFYSA-N 1 0 396.329 2.033 20 0 GEADRO OC[C@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1cccnc1 ZINC000572642993 532709126 /nfs/dbraw/zinc/70/91/26/532709126.db2.gz FFUBREGUTLUSEC-BBRMVZONSA-N 1 0 399.260 2.089 20 0 GEADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000266231229 532710746 /nfs/dbraw/zinc/71/07/46/532710746.db2.gz RUSLQAAOPYAAIY-UHFFFAOYSA-N 1 0 376.320 2.337 20 0 GEADRO O=C1CC[C@@H]([NH2+]Cc2c(Br)cncc2Br)CCN1 ZINC000396662214 532711814 /nfs/dbraw/zinc/71/18/14/532711814.db2.gz UDJVNQIDLGJBQR-MRVPVSSYSA-N 1 0 377.080 2.365 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[NH2+]CCC1(F)F ZINC000643989005 532712107 /nfs/dbraw/zinc/71/21/07/532712107.db2.gz LGYYBMQQOAFGQA-JTQLQIEISA-N 1 0 391.212 2.081 20 0 GEADRO COC(=O)c1nscc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000440357947 532712634 /nfs/dbraw/zinc/71/26/34/532712634.db2.gz OFGXCPDEITXLGC-ZDUSSCGKSA-N 1 0 383.495 2.031 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1)NCc1ccccc1Cl ZINC000574369222 532713056 /nfs/dbraw/zinc/71/30/56/532713056.db2.gz NRMAYRRESJUZQA-GOSISDBHSA-N 1 0 384.929 2.247 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000440414590 532713858 /nfs/dbraw/zinc/71/38/58/532713858.db2.gz ZTFUEDDUBXOWEC-UHFFFAOYSA-N 1 0 382.404 2.288 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000440438080 532714455 /nfs/dbraw/zinc/71/44/55/532714455.db2.gz YBPLXCMFLRDMME-KWQFWETISA-N 1 0 397.722 2.469 20 0 GEADRO O=S(=O)(c1cc(Br)c(F)cc1F)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440440812 532714678 /nfs/dbraw/zinc/71/46/78/532714678.db2.gz GRXZVMFZPCVYCN-VIFPVBQESA-N 1 0 381.242 2.242 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)Cc2ccc(Br)c(F)c2)C[C@@H](C)O1 ZINC000494291946 532715987 /nfs/dbraw/zinc/71/59/87/532715987.db2.gz AXGJILGRRYYICZ-NFAWXSAZSA-N 1 0 389.309 2.490 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc(F)c1Br ZINC000299432980 532716501 /nfs/dbraw/zinc/71/65/01/532716501.db2.gz XUKLHSTUGHGMOG-CYBMUJFWSA-N 1 0 396.260 2.308 20 0 GEADRO COc1cc(CN2CC[N@H+](C)C[C@H]2C)cc(I)c1OC ZINC000538730047 532717072 /nfs/dbraw/zinc/71/70/72/532717072.db2.gz AMRRDGQPWIHSNP-LLVKDONJSA-N 1 0 390.265 2.444 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000670496151 532717583 /nfs/dbraw/zinc/71/75/83/532717583.db2.gz GUMOISJINTYXBJ-CZUORRHYSA-N 1 0 384.307 2.205 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccccc1Br ZINC000670851939 532720227 /nfs/dbraw/zinc/72/02/27/532720227.db2.gz ZCMFCOXVLXUKDV-KBPBESRZSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000285932684 532720762 /nfs/dbraw/zinc/72/07/62/532720762.db2.gz UIEJEMZQWOCSAU-XJKSGUPXSA-N 1 0 394.313 2.264 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000538821985 532721043 /nfs/dbraw/zinc/72/10/43/532721043.db2.gz OUTFXCJIGUYHJH-ZIAGYGMSSA-N 1 0 387.318 2.425 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000538821983 532721162 /nfs/dbraw/zinc/72/11/62/532721162.db2.gz OUTFXCJIGUYHJH-KGLIPLIRSA-N 1 0 387.318 2.425 20 0 GEADRO CCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@H](C)CS(C)(=O)=O ZINC000497352113 532721223 /nfs/dbraw/zinc/72/12/23/532721223.db2.gz HGLANPKWHHSXJY-SJORKVTESA-N 1 0 375.579 2.208 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc(N(C)C)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000497355006 532721289 /nfs/dbraw/zinc/72/12/89/532721289.db2.gz PSDWUKLZHOHYCB-NEPJUHHUSA-N 1 0 390.347 2.182 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)NCc1sccc1Br)C1CCCC1 ZINC000285949754 532721800 /nfs/dbraw/zinc/72/18/00/532721800.db2.gz QBLCUBTWYORDJJ-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc(N(C)C)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000497355008 532721946 /nfs/dbraw/zinc/72/19/46/532721946.db2.gz PSDWUKLZHOHYCB-RYUDHWBXSA-N 1 0 390.347 2.182 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000575893414 532721965 /nfs/dbraw/zinc/72/19/65/532721965.db2.gz UKMDWNXGZZFASC-UHFFFAOYSA-N 1 0 382.555 2.204 20 0 GEADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000440730354 532722581 /nfs/dbraw/zinc/72/25/81/532722581.db2.gz AZMHWTMTLHKPDU-CQSZACIVSA-N 1 0 376.906 2.128 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])ccc1Br ZINC000285963418 532723330 /nfs/dbraw/zinc/72/33/30/532723330.db2.gz GXWUCERYELYLSZ-GFCCVEGCSA-N 1 0 389.315 2.196 20 0 GEADRO C[NH+]1CCC2(CC1)CN(CC(=O)Nc1ccc(Br)cc1)CCO2 ZINC000646104966 532723328 /nfs/dbraw/zinc/72/33/28/532723328.db2.gz YYMOEXPHDQLNDF-UHFFFAOYSA-N 1 0 382.302 2.184 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000440859124 532723521 /nfs/dbraw/zinc/72/35/21/532723521.db2.gz YRECJWOMCYBUMH-NXEZZACHSA-N 1 0 386.823 2.486 20 0 GEADRO O=C(CSCC(=O)c1ccc(Cl)cc1)NCCCC[NH+]1CCOCC1 ZINC000299508865 532723747 /nfs/dbraw/zinc/72/37/47/532723747.db2.gz AXUMRALRTUNWBI-UHFFFAOYSA-N 1 0 384.929 2.485 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)[C@@H](C[NH3+])C1 ZINC000440860699 532723773 /nfs/dbraw/zinc/72/37/73/532723773.db2.gz PKHOCEBAJCBHMO-VXGBXAGGSA-N 1 0 387.552 2.307 20 0 GEADRO COc1cc(OC)c(NC(=O)c2cn(CCCC[NH3+])nn2)cc1Br ZINC000646475078 532724481 /nfs/dbraw/zinc/72/44/81/532724481.db2.gz VGTQTYDMLJGNBS-UHFFFAOYSA-N 1 0 398.261 2.049 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000612985718 532724522 /nfs/dbraw/zinc/72/45/22/532724522.db2.gz NAOCAYJPLDZXTM-ZBFHGGJFSA-N 1 0 393.329 2.469 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000646484210 532724686 /nfs/dbraw/zinc/72/46/86/532724686.db2.gz OEKVLFCYSCIJAN-HBNTYKKESA-N 1 0 388.331 2.180 20 0 GEADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000440863465 532725254 /nfs/dbraw/zinc/72/52/54/532725254.db2.gz QILNWNPYBRNIMT-GXTWGEPZSA-N 1 0 376.906 2.304 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)c1ccsc1 ZINC000299558720 532726094 /nfs/dbraw/zinc/72/60/94/532726094.db2.gz ADYCYQWQQYWADZ-HNNXBMFYSA-N 1 0 385.486 2.291 20 0 GEADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000539216001 532726833 /nfs/dbraw/zinc/72/68/33/532726833.db2.gz BLRHVKRZZHVUNJ-BZNIZROVSA-N 1 0 399.310 2.481 20 0 GEADRO O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NCC[NH+]1CCSCC1 ZINC000266849870 532728044 /nfs/dbraw/zinc/72/80/44/532728044.db2.gz QOJCATYNGLVGJK-UHFFFAOYSA-N 1 0 380.901 2.488 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000613138205 532728334 /nfs/dbraw/zinc/72/83/34/532728334.db2.gz DOULOIOZPWHXPM-CXAGYDPISA-N 1 0 395.345 2.251 20 0 GEADRO COc1c(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc(Cl)cc1C(N)=O ZINC000286174958 532732747 /nfs/dbraw/zinc/73/27/47/532732747.db2.gz HZYITFROMRRZKY-INIZCTEOSA-N 1 0 386.905 2.006 20 0 GEADRO O=C1[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CCCN1CC(F)(F)F ZINC000577055413 532730165 /nfs/dbraw/zinc/73/01/65/532730165.db2.gz MRJOMRGMTUDOIH-TZMCWYRMSA-N 1 0 380.794 2.223 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccsc2Cl)c1 ZINC000613539162 532731120 /nfs/dbraw/zinc/73/11/20/532731120.db2.gz SYQASUFYJCGAJY-UHFFFAOYSA-N 1 0 387.914 2.494 20 0 GEADRO CN1CCN(C(=O)C[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000539491329 532731432 /nfs/dbraw/zinc/73/14/32/532731432.db2.gz OBQUMWKLSMUSLV-UHFFFAOYSA-N 1 0 385.339 2.280 20 0 GEADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000673784467 532731468 /nfs/dbraw/zinc/73/14/68/532731468.db2.gz UXKWBEDTBDRPJD-LBPRGKRZSA-N 1 0 376.507 2.411 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC)cc2Br)C1 ZINC000442565300 532732202 /nfs/dbraw/zinc/73/22/02/532732202.db2.gz IVSCKWFBKYZFDP-GFCCVEGCSA-N 1 0 398.301 2.339 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000442563714 532732320 /nfs/dbraw/zinc/73/23/20/532732320.db2.gz BVDJJRJIIHZBSZ-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO C[NH+](C)CCOCCNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645647923 532718625 /nfs/dbraw/zinc/71/86/25/532718625.db2.gz CEIWNPICBPKRSP-UHFFFAOYSA-N 1 0 390.811 2.095 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2Br)C1 ZINC000670851669 532719798 /nfs/dbraw/zinc/71/97/98/532719798.db2.gz FZLUXOCYWHPSLS-CQSZACIVSA-N 1 0 382.302 2.054 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410897995 532742061 /nfs/dbraw/zinc/74/20/61/532742061.db2.gz GDANZFKWIJZNDS-UHFFFAOYSA-N 1 0 398.345 2.454 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000410887131 532742293 /nfs/dbraw/zinc/74/22/93/532742293.db2.gz PVEWWLJKIBTTIP-UHFFFAOYSA-N 1 0 398.345 2.249 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000286389467 532742947 /nfs/dbraw/zinc/74/29/47/532742947.db2.gz GWPBQUVWDHJPPW-UWVGGRQHSA-N 1 0 393.294 2.484 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000286384088 532743135 /nfs/dbraw/zinc/74/31/35/532743135.db2.gz CIVPYXDPLFYEOD-ZIAGYGMSSA-N 1 0 396.329 2.427 20 0 GEADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000540723502 532743448 /nfs/dbraw/zinc/74/34/48/532743448.db2.gz PQXXYBNSDODTHU-FPMFFAJLSA-N 1 0 387.571 2.165 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N(C)CC[NH+](C)C)ccc1Br ZINC000410915221 532743578 /nfs/dbraw/zinc/74/35/78/532743578.db2.gz MOWZOWWDYRHVQH-INIZCTEOSA-N 1 0 396.329 2.441 20 0 GEADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000614603401 532743772 /nfs/dbraw/zinc/74/37/72/532743772.db2.gz MCNVETYJCRNYGG-HNNXBMFYSA-N 1 0 388.555 2.023 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C[C@@H]1[NH+](C)C ZINC000503236637 532744917 /nfs/dbraw/zinc/74/49/17/532744917.db2.gz OKHKQHYJPGUBGW-HOTGVXAUSA-N 1 0 375.604 2.255 20 0 GEADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc(Br)s2)C1 ZINC000443332277 532746380 /nfs/dbraw/zinc/74/63/80/532746380.db2.gz NGAVSIJCZQUMHC-ZYHUDNBSSA-N 1 0 388.331 2.288 20 0 GEADRO CCCCN(C(=O)C[NH2+][C@@H]1CCC[C@H]1SCC)[C@H]1CCS(=O)(=O)C1 ZINC000503429682 532746790 /nfs/dbraw/zinc/74/67/90/532746790.db2.gz WCWAELDDSSDKIR-ARFHVFGLSA-N 1 0 376.588 2.066 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503352463 532747165 /nfs/dbraw/zinc/74/71/65/532747165.db2.gz CJWGDUIFTORPIY-NSHDSACASA-N 1 0 391.256 2.497 20 0 GEADRO CC(=O)N[C@H](C)C1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000580443548 532747167 /nfs/dbraw/zinc/74/71/67/532747167.db2.gz ZPCIDEOWGAMSMM-XIKOKIGWSA-N 1 0 396.329 2.386 20 0 GEADRO C[NH+](C)CC1CN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000615505185 532747362 /nfs/dbraw/zinc/74/73/62/532747362.db2.gz OFNZKCNSPZYQDY-UHFFFAOYSA-N 1 0 377.080 2.240 20 0 GEADRO CCNC(=O)C1(C[NH2+]Cc2ncc(I)s2)CCC1 ZINC000286191981 532733116 /nfs/dbraw/zinc/73/31/16/532733116.db2.gz XOJRRXOMPLBGGN-UHFFFAOYSA-N 1 0 379.267 2.144 20 0 GEADRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1ccc(I)cc1 ZINC000286231397 532734786 /nfs/dbraw/zinc/73/47/86/532734786.db2.gz RJEPQMMBVOWJGT-BXUZGUMPSA-N 1 0 388.249 2.370 20 0 GEADRO CN(CC(=O)Nc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757304 532735032 /nfs/dbraw/zinc/73/50/32/532735032.db2.gz LYNGFYXFGTVSQX-YIONKMFJSA-N 1 0 399.276 2.445 20 0 GEADRO CCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000500778101 532735591 /nfs/dbraw/zinc/73/55/91/532735591.db2.gz GAPPNTYOHCFFOT-IRXDYDNUSA-N 1 0 375.579 2.353 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc(F)c1Br ZINC000299700188 532735965 /nfs/dbraw/zinc/73/59/65/532735965.db2.gz OWLVDAVYBSOPMS-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2ccc(CSc3nc[nH]n3)cc2)CCSC1 ZINC000267165734 532736946 /nfs/dbraw/zinc/73/69/46/532736946.db2.gz ZSXXVEUXSOJKAA-KRWDZBQOSA-N 1 0 377.539 2.264 20 0 GEADRO C[NH+]1CCN(CCNc2cc(Br)cnc2Br)CC1 ZINC000286268900 532737511 /nfs/dbraw/zinc/73/75/11/532737511.db2.gz WJRREVFVCNFFGL-UHFFFAOYSA-N 1 0 378.112 2.266 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CCSC1 ZINC000267193238 532737608 /nfs/dbraw/zinc/73/76/08/532737608.db2.gz CRHDJZOGVASOPB-KSSFIOAISA-N 1 0 381.567 2.296 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)COC1CCOCC1 ZINC000674845569 532738103 /nfs/dbraw/zinc/73/81/03/532738103.db2.gz XALFFXBKBCNTMG-CZUORRHYSA-N 1 0 386.286 2.419 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCSC1 ZINC000267205600 532738292 /nfs/dbraw/zinc/73/82/92/532738292.db2.gz RHKSZIVTMMFLES-KRWDZBQOSA-N 1 0 383.949 2.004 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(I)c(O)c1 ZINC000300416252 532738968 /nfs/dbraw/zinc/73/89/68/532738968.db2.gz HUQQWNSGRXZIPY-RYUDHWBXSA-N 1 0 386.233 2.353 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000501218323 532739467 /nfs/dbraw/zinc/73/94/67/532739467.db2.gz OZKLFYSZJVIRIL-UKRRQHHQSA-N 1 0 387.571 2.056 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cc(F)c(F)cc1Br ZINC000286335429 532739682 /nfs/dbraw/zinc/73/96/82/532739682.db2.gz GMUJVZISCRWMCY-JTQLQIEISA-N 1 0 377.229 2.312 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCOCC1 ZINC000540522064 532739844 /nfs/dbraw/zinc/73/98/44/532739844.db2.gz YKTOMMIIXOWAHL-OAHLLOKOSA-N 1 0 388.917 2.477 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000675015713 532739917 /nfs/dbraw/zinc/73/99/17/532739917.db2.gz AGCFMAOQCVBIBR-UHFFFAOYSA-N 1 0 390.933 2.470 20 0 GEADRO COC(=O)c1csc([C@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000286335497 532740583 /nfs/dbraw/zinc/74/05/83/532740583.db2.gz YOTWFSZKYFIXCP-LKFCYVNXSA-N 1 0 377.388 2.369 20 0 GEADRO CC(C)Sc1ccc([C@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000675819587 532740766 /nfs/dbraw/zinc/74/07/66/532740766.db2.gz QIBAEOCYZJBUEV-INIZCTEOSA-N 1 0 385.599 2.415 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000675781816 532741245 /nfs/dbraw/zinc/74/12/45/532741245.db2.gz CCOPQPHQZBWGAU-OAHLLOKOSA-N 1 0 382.302 2.026 20 0 GEADRO O=C(CCn1cc(Br)cn1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000614578938 532741874 /nfs/dbraw/zinc/74/18/74/532741874.db2.gz MHFHSMARRHXIQA-UHFFFAOYSA-N 1 0 377.286 2.210 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000676358287 532741940 /nfs/dbraw/zinc/74/19/40/532741940.db2.gz MFZKIWRBTIEVGC-HNNXBMFYSA-N 1 0 385.277 2.454 20 0 GEADRO C[NH+]1CCN(c2cc(CNS(=O)(=O)c3sccc3Cl)ccn2)CC1 ZINC000581351357 532754281 /nfs/dbraw/zinc/75/42/81/532754281.db2.gz HWOFKADLAUEPGR-UHFFFAOYSA-N 1 0 386.930 2.027 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000286583672 532755861 /nfs/dbraw/zinc/75/58/61/532755861.db2.gz VFBQLUDDEPCVDJ-XUJVJEKNSA-N 1 0 394.313 2.368 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000268096451 532755886 /nfs/dbraw/zinc/75/58/86/532755886.db2.gz JXAMHUBJGPMVSN-GFCCVEGCSA-N 1 0 381.523 2.209 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000268167775 532756976 /nfs/dbraw/zinc/75/69/76/532756976.db2.gz LAVAHDUJCNNSEH-XHDPSFHLSA-N 1 0 380.286 2.295 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000268173566 532757359 /nfs/dbraw/zinc/75/73/59/532757359.db2.gz MIYZXXSFYXTONT-YMTOWFKASA-N 1 0 384.249 2.126 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000581884686 532757695 /nfs/dbraw/zinc/75/76/95/532757695.db2.gz SPZSRXNBPBYFMX-VXGBXAGGSA-N 1 0 384.933 2.074 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCc2sccc2Br)C1 ZINC000581876025 532758143 /nfs/dbraw/zinc/75/81/43/532758143.db2.gz URAFEJUZWBTMOF-QWRGUYRKSA-N 1 0 388.331 2.116 20 0 GEADRO O=C(Nc1nnc(SCc2ccccc2)s1)N[C@H]1C[NH2+]CCC1(F)F ZINC000581872070 532758229 /nfs/dbraw/zinc/75/82/29/532758229.db2.gz FBKQPVOBYVWHLN-NSHDSACASA-N 1 0 385.465 2.949 20 0 GEADRO CC[C@@](C)([NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1nccs1 ZINC000411387525 532759414 /nfs/dbraw/zinc/75/94/14/532759414.db2.gz KFODJFRWFDLPCY-MRXNPFEDSA-N 1 0 382.511 2.034 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000541830180 532759799 /nfs/dbraw/zinc/75/97/99/532759799.db2.gz RJXNRNDNRCMOSO-UHFFFAOYSA-N 1 0 386.411 2.481 20 0 GEADRO O=C1C[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CN1C1CC1 ZINC000582611565 532760980 /nfs/dbraw/zinc/76/09/80/532760980.db2.gz ZHPYSPKHZJWJOF-LBPRGKRZSA-N 1 0 390.285 2.130 20 0 GEADRO COC(=O)c1sc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1Cl ZINC000301848394 532761166 /nfs/dbraw/zinc/76/11/66/532761166.db2.gz OCGDMLXHHIDABZ-FUNVUKJBSA-N 1 0 384.933 2.330 20 0 GEADRO NS(=O)(=O)C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000411431341 532761507 /nfs/dbraw/zinc/76/15/07/532761507.db2.gz ZWXGVDAQFOMMNF-UHFFFAOYSA-N 1 0 380.297 2.075 20 0 GEADRO C[C@H](C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000582784659 532761768 /nfs/dbraw/zinc/76/17/68/532761768.db2.gz OAXQAPCMCHNXOE-ZDUSSCGKSA-N 1 0 380.330 2.385 20 0 GEADRO Brc1cc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc2c1OCCO2 ZINC000451220692 532762068 /nfs/dbraw/zinc/76/20/68/532762068.db2.gz HLEQNFPHKMQQAS-OKILXGFUSA-N 1 0 383.286 2.173 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620482032 532762348 /nfs/dbraw/zinc/76/23/48/532762348.db2.gz ZVRMVXVUNFSOOI-OAHLLOKOSA-N 1 0 385.277 2.188 20 0 GEADRO Cc1cnn(C)c1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000286696175 532762382 /nfs/dbraw/zinc/76/23/82/532762382.db2.gz WERZMIFYPDYHLA-UHFFFAOYSA-N 1 0 382.555 2.297 20 0 GEADRO Cc1ccc(CC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000620477542 532762506 /nfs/dbraw/zinc/76/25/06/532762506.db2.gz KFIUXHMIOZBROL-MRXNPFEDSA-N 1 0 381.314 2.358 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000540910100 532748359 /nfs/dbraw/zinc/74/83/59/532748359.db2.gz ZLKHPUBWRAAHOH-IAQYHMDHSA-N 1 0 395.301 2.170 20 0 GEADRO CCc1ncc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000267619886 532748416 /nfs/dbraw/zinc/74/84/16/532748416.db2.gz KMRJSRRZFDZELD-UHFFFAOYSA-N 1 0 381.523 2.016 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+]Cc2cc3cc(Br)ccc3o2)nn1 ZINC000580466594 532748643 /nfs/dbraw/zinc/74/86/43/532748643.db2.gz GIPRFHBLKIXYSO-UHFFFAOYSA-N 1 0 392.257 2.456 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000443721297 532749873 /nfs/dbraw/zinc/74/98/73/532749873.db2.gz SKRWNFDNGZMGEF-UHFFFAOYSA-N 1 0 388.212 2.044 20 0 GEADRO COC(=O)CC[N@@H+]1CCN(c2ncnc3ccc(Br)cc32)[C@H](C)C1 ZINC000301973649 532763111 /nfs/dbraw/zinc/76/31/11/532763111.db2.gz AAIOZMHIHMVSPJ-GFCCVEGCSA-N 1 0 393.285 2.466 20 0 GEADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000580871718 532750642 /nfs/dbraw/zinc/75/06/42/532750642.db2.gz 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C[NH+](C)CCn1ccc(NC(=O)c2cccc(I)c2)n1 ZINC000303018800 532776008 /nfs/dbraw/zinc/77/60/08/532776008.db2.gz MEBDEUVKHYPLIT-UHFFFAOYSA-N 1 0 384.221 2.302 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000512221079 532776603 /nfs/dbraw/zinc/77/66/03/532776603.db2.gz WFKPNENOHDEENS-OSDKZWGASA-N 1 0 391.339 2.477 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000269173535 532776548 /nfs/dbraw/zinc/77/65/48/532776548.db2.gz KJPDAOJDGJSTOD-CXAGYDPISA-N 1 0 386.323 2.483 20 0 GEADRO C[C@@H](NC(=O)c1cccn2c(I)cnc12)[C@H]1CCC[NH2+]C1 ZINC000269169113 532776799 /nfs/dbraw/zinc/77/67/99/532776799.db2.gz DTUVLFZRAMDSEP-MNOVXSKESA-N 1 0 398.248 2.057 20 0 GEADRO NC(=O)[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000269243632 532777273 /nfs/dbraw/zinc/77/72/73/532777273.db2.gz YPVWUKDVDBOEIR-REZVEMGXSA-N 1 0 380.286 2.012 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000512301282 532777306 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C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccccc1I ZINC000509432936 532769331 /nfs/dbraw/zinc/76/93/31/532769331.db2.gz BJPZERKQJBFXDV-NWDGAFQWSA-N 1 0 387.265 2.254 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000509434639 532769691 /nfs/dbraw/zinc/76/96/91/532769691.db2.gz FNPLEBJSOHRTFY-LLVKDONJSA-N 1 0 395.308 2.495 20 0 GEADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000509429704 532769895 /nfs/dbraw/zinc/76/98/95/532769895.db2.gz MASRZTPWWUULAD-UHFFFAOYSA-N 1 0 385.496 2.195 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCN2CCN(C(C)=O)CC2)cc1Br ZINC000268792247 532770466 /nfs/dbraw/zinc/77/04/66/532770466.db2.gz DUDRUHWOENFYAU-CYBMUJFWSA-N 1 0 384.318 2.272 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000411633020 532770735 /nfs/dbraw/zinc/77/07/35/532770735.db2.gz HMTSGZWUVZSKER-CABCVRRESA-N 1 0 391.896 2.258 20 0 GEADRO C[C@H](CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000286847869 532772304 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CCOC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269608161 532784123 /nfs/dbraw/zinc/78/41/23/532784123.db2.gz LEEWIPVWKGNSTG-INIZCTEOSA-N 1 0 385.302 2.497 20 0 GEADRO CC(C)[N@@H+](CC(=O)N(C)Cc1ccccc1Br)C[C@@H]1CCC(=O)N1 ZINC000412078015 532784578 /nfs/dbraw/zinc/78/45/78/532784578.db2.gz UFZMVRZVZVFXEK-HNNXBMFYSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000412097908 532785364 /nfs/dbraw/zinc/78/53/64/532785364.db2.gz ZOAURBHVFKJLSU-HUUCEWRRSA-N 1 0 399.329 2.379 20 0 GEADRO CN(CC(F)(F)Br)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000287181410 532785411 /nfs/dbraw/zinc/78/54/11/532785411.db2.gz POHVYYSBKTUKFJ-UHFFFAOYSA-N 1 0 393.232 2.299 20 0 GEADRO COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000412084501 532785759 /nfs/dbraw/zinc/78/57/59/532785759.db2.gz TVKXRMDWXOEPKY-HIFRSBDPSA-N 1 0 377.428 2.447 20 0 GEADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)o1)Cc1ccccc1 ZINC000546799049 532785739 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C[C@H]([NH2+]CCCn1cc(Br)cn1)c1cccc(-n2cnnn2)c1 ZINC000323368459 532788623 /nfs/dbraw/zinc/78/86/23/532788623.db2.gz ZDRKWAPJRBVVOK-LBPRGKRZSA-N 1 0 376.262 2.362 20 0 GEADRO CCOc1cc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc(Br)c1O ZINC000459567421 532796797 /nfs/dbraw/zinc/79/67/97/532796797.db2.gz IFYHZNQREITGEX-BETUJISGSA-N 1 0 387.318 2.440 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000457203216 532788943 /nfs/dbraw/zinc/78/89/43/532788943.db2.gz ILOHSOUXORYFGZ-AWEZNQCLSA-N 1 0 382.302 2.258 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(Cl)s1 ZINC000287319175 532791214 /nfs/dbraw/zinc/79/12/14/532791214.db2.gz DHNMSRDPHBPOAA-RKDXNWHRSA-N 1 0 392.852 2.379 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458198754 532792265 /nfs/dbraw/zinc/79/22/65/532792265.db2.gz UJGXVGQRJUXBFJ-KBPBESRZSA-N 1 0 396.329 2.416 20 0 GEADRO C[C@@H]1CN(CCO)CCN1C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000458237341 532793276 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CSc1nsc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000272811524 532818172 /nfs/dbraw/zinc/81/81/72/532818172.db2.gz SRVFJZRTBQOQMD-ZDUSSCGKSA-N 1 0 379.511 2.148 20 0 GEADRO COc1ccc(I)c(NC(=O)N2CC([NH+](C)C)C2)c1 ZINC000273415749 532823703 /nfs/dbraw/zinc/82/37/03/532823703.db2.gz QUCKVCXZHPBYQH-UHFFFAOYSA-N 1 0 375.210 2.078 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000288200072 532820776 /nfs/dbraw/zinc/82/07/76/532820776.db2.gz PKPKJRMLUSJXIX-WFASDCNBSA-N 1 0 380.286 2.473 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000414248860 532821288 /nfs/dbraw/zinc/82/12/88/532821288.db2.gz GAMLFTBHXDDZFS-CYBMUJFWSA-N 1 0 376.544 2.312 20 0 GEADRO COc1ccccc1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414256953 532821384 /nfs/dbraw/zinc/82/13/84/532821384.db2.gz LIYZPONGRQLJSU-UHFFFAOYSA-N 1 0 399.310 2.437 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+][C@@H]2CCc3sc(Br)cc32)nn1 ZINC000414351286 532821924 /nfs/dbraw/zinc/82/19/24/532821924.db2.gz NDVOWSLYCUBZEO-SNVBAGLBSA-N 1 0 384.303 2.258 20 0 GEADRO Cc1cc(NC(=O)C[NH2+]Cc2cnc(N(C)C)n2C)ccc1Br ZINC000414354234 532821971 /nfs/dbraw/zinc/82/19/71/532821971.db2.gz UMIJPNNNDRZGFD-UHFFFAOYSA-N 1 0 380.290 2.285 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414351432 532821984 /nfs/dbraw/zinc/82/19/84/532821984.db2.gz NIERUVYRPRXBJN-NSHDSACASA-N 1 0 398.280 2.280 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCc3cc(Br)ccc3C2)nn1 ZINC000414352103 532821990 /nfs/dbraw/zinc/82/19/90/532821990.db2.gz PEMLRANPZPFPPM-HNNXBMFYSA-N 1 0 392.301 2.067 20 0 GEADRO COc1cccc(COCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414361139 532822438 /nfs/dbraw/zinc/82/24/38/532822438.db2.gz BOYAHGXNDMGCNO-UHFFFAOYSA-N 1 0 384.885 2.302 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000273312923 532823129 /nfs/dbraw/zinc/82/31/29/532823129.db2.gz XHBJTSCGGZQBFR-CJNGLKHVSA-N 1 0 392.301 2.210 20 0 GEADRO CCCC[C@@H](COC)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414392577 532824384 /nfs/dbraw/zinc/82/43/84/532824384.db2.gz MUAVDESYZFGUDH-LBPRGKRZSA-N 1 0 379.320 2.391 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@@H]1CCSC1 ZINC000288358846 532824999 /nfs/dbraw/zinc/82/49/99/532824999.db2.gz XOHXOJBGAANWSI-HNNXBMFYSA-N 1 0 383.945 2.100 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(S(C)(=O)=O)s3)CC2)CC1 ZINC000414417373 532825540 /nfs/dbraw/zinc/82/55/40/532825540.db2.gz XLFTUFFWROCMDA-UHFFFAOYSA-N 1 0 385.599 2.142 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000273549241 532826019 /nfs/dbraw/zinc/82/60/19/532826019.db2.gz VOYZAGYFTBVCAT-GFCCVEGCSA-N 1 0 388.917 2.477 20 0 GEADRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000273548521 532826381 /nfs/dbraw/zinc/82/63/81/532826381.db2.gz WZIMBIPATRAESZ-SRVKXCTJSA-N 1 0 378.947 2.476 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCCc2nccs2)cc1Br ZINC000414389375 532824036 /nfs/dbraw/zinc/82/40/36/532824036.db2.gz FVWUTGUXEXICSO-UHFFFAOYSA-N 1 0 390.328 2.275 20 0 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Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331427383 532839362 /nfs/dbraw/zinc/83/93/62/532839362.db2.gz ANDPJXVERHNMIK-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cc(Br)c(=O)n(C)c2)cc1 ZINC000415266609 532839820 /nfs/dbraw/zinc/83/98/20/532839820.db2.gz HSJJMDJGXFOJBW-SNVBAGLBSA-N 1 0 379.258 2.489 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(I)ccc2Cl)CCO1 ZINC000415271206 532840065 /nfs/dbraw/zinc/84/00/65/532840065.db2.gz RNAXGQUNYXRXNQ-VIFPVBQESA-N 1 0 395.628 2.136 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000331457729 532840183 /nfs/dbraw/zinc/84/01/83/532840183.db2.gz ASIRHEGYCIZNNL-STQMWFEESA-N 1 0 389.315 2.145 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c(Cl)cc1Cl ZINC000274044708 532840230 /nfs/dbraw/zinc/84/02/30/532840230.db2.gz YCPXDGKCAYPXRG-UHFFFAOYSA-N 1 0 393.292 2.320 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)Nc1cccc(Br)c1 ZINC000274062964 532840430 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CC(=O)N1CCc2cc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)ccc21 ZINC000004968941 204097608 /nfs/dbraw/zinc/09/76/08/204097608.db2.gz GQNNZIXGCUZMFS-UHFFFAOYSA-N 1 0 391.537 2.235 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331517093 532840823 /nfs/dbraw/zinc/84/08/23/532840823.db2.gz JHLPAEISGXXGHQ-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000009300366 204306077 /nfs/dbraw/zinc/30/60/77/204306077.db2.gz YNXIYEWXEHSOCF-UHFFFAOYSA-N 1 0 391.537 2.317 20 0 GEADRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415297779 532840925 /nfs/dbraw/zinc/84/09/25/532840925.db2.gz FLGPVXXJFYVINF-SNVBAGLBSA-N 1 0 379.766 2.088 20 0 GEADRO O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415298566 532840903 /nfs/dbraw/zinc/84/09/03/532840903.db2.gz GTAPFBMLNBYIOJ-JTQLQIEISA-N 1 0 379.766 2.088 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)C1 ZINC000331551929 532841362 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C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415340562 532842031 /nfs/dbraw/zinc/84/20/31/532842031.db2.gz FHGHYYKINHIULG-SSDOTTSWSA-N 1 0 378.629 2.000 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415344718 532842183 /nfs/dbraw/zinc/84/21/83/532842183.db2.gz FDOPQYJTEGZVIU-RYUDHWBXSA-N 1 0 398.301 2.209 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415342598 532842307 /nfs/dbraw/zinc/84/23/07/532842307.db2.gz AJHOVIQTYRSPCO-NWDGAFQWSA-N 1 0 398.301 2.291 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415343897 532842426 /nfs/dbraw/zinc/84/24/26/532842426.db2.gz MMOMVTYFKAJCBU-VIFPVBQESA-N 1 0 377.844 2.456 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1F ZINC000415357925 532842789 /nfs/dbraw/zinc/84/27/89/532842789.db2.gz QDKIDVQIQMSDDJ-MNOVXSKESA-N 1 0 386.265 2.339 20 0 GEADRO O=C(NCC1CC[NH+](CCO)CC1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000331689422 532842869 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C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2C)CC1 ZINC000415395976 532843923 /nfs/dbraw/zinc/84/39/23/532843923.db2.gz GFYTZOSJWMTCKN-UHFFFAOYSA-N 1 0 386.265 2.293 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415397423 532844149 /nfs/dbraw/zinc/84/41/49/532844149.db2.gz RDESDFYJJDUOSY-SECBINFHSA-N 1 0 379.766 2.293 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000415393854 532844155 /nfs/dbraw/zinc/84/41/55/532844155.db2.gz KRKSUTJPCCBNGQ-QMMMGPOBSA-N 1 0 390.228 2.252 20 0 GEADRO Cc1cc(F)c(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(I)c1 ZINC000415409911 532844480 /nfs/dbraw/zinc/84/44/80/532844480.db2.gz UPTKHWFYVCTTJH-VROVMSAKSA-N 1 0 375.185 2.078 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415409402 532844561 /nfs/dbraw/zinc/84/45/61/532844561.db2.gz SSXOQDBFFBSXQX-SECBINFHSA-N 1 0 390.228 2.172 20 0 GEADRO Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)sc1C ZINC000274218730 532844543 /nfs/dbraw/zinc/84/45/43/532844543.db2.gz JGOQVHXUHFDMEZ-UHFFFAOYSA-N 1 0 381.523 2.457 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)C1CCCCC1 ZINC000415427919 532844767 /nfs/dbraw/zinc/84/47/67/532844767.db2.gz PJTXXQYZVJZHEO-OAHLLOKOSA-N 1 0 394.313 2.362 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[C@H]1[NH3+] ZINC000415426934 532844773 /nfs/dbraw/zinc/84/47/73/532844773.db2.gz BDVCKXZIVQVEBT-WRWORJQWSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415426216 532844851 /nfs/dbraw/zinc/84/48/51/532844851.db2.gz AHQWGULFMCGCKZ-IUCAKERBSA-N 1 0 390.228 2.252 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1Br ZINC000415423049 532844925 /nfs/dbraw/zinc/84/49/25/532844925.db2.gz FUZSJCZONQAUCA-CQSZACIVSA-N 1 0 398.301 2.420 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)CC[NH2+]1 ZINC000415427331 532845082 /nfs/dbraw/zinc/84/50/82/532845082.db2.gz FPAPQMVWJYOPIY-MRVPVSSYSA-N 1 0 394.191 2.227 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)CC[N@@H+]1C ZINC000331828518 532845200 /nfs/dbraw/zinc/84/52/00/532845200.db2.gz ROQHQDCRNLUVIH-GWCFXTLKSA-N 1 0 389.315 2.145 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)C[N@@H+]1C1CC1 ZINC000289031655 532845307 /nfs/dbraw/zinc/84/53/07/532845307.db2.gz VYFQRCBSKQVBHI-GXTWGEPZSA-N 1 0 394.313 2.149 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415435464 532845445 /nfs/dbraw/zinc/84/54/45/532845445.db2.gz ISZQHZQOURCDQP-SNVBAGLBSA-N 1 0 380.645 2.280 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415453836 532846318 /nfs/dbraw/zinc/84/63/18/532846318.db2.gz ZLGVZFUPASAAIQ-LBPRGKRZSA-N 1 0 379.258 2.035 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000289072585 532846246 /nfs/dbraw/zinc/84/62/46/532846246.db2.gz OWLFVUDBJCSMJS-CYBMUJFWSA-N 1 0 398.301 2.043 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000415445887 532846058 /nfs/dbraw/zinc/84/60/58/532846058.db2.gz IGFCZVOTTHPNLF-CPCISQLKSA-N 1 0 392.656 2.376 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415465523 532846454 /nfs/dbraw/zinc/84/64/54/532846454.db2.gz PHXUNDXIXJWTJU-UHFFFAOYSA-N 1 0 393.079 2.004 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415483042 532846739 /nfs/dbraw/zinc/84/67/39/532846739.db2.gz GDNXIKHTXLHREU-LBPRGKRZSA-N 1 0 392.244 2.498 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415483850 532846810 /nfs/dbraw/zinc/84/68/10/532846810.db2.gz BJSWXJXRHWMHIC-LLVKDONJSA-N 1 0 391.269 2.146 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415480459 532846968 /nfs/dbraw/zinc/84/69/68/532846968.db2.gz JGZSDSLJJANBOP-SECBINFHSA-N 1 0 394.191 2.356 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)c(Br)c1 ZINC000415487584 532847351 /nfs/dbraw/zinc/84/73/51/532847351.db2.gz NBAZRIKDAIRTBN-ZDUSSCGKSA-N 1 0 386.290 2.228 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000289094639 532847491 /nfs/dbraw/zinc/84/74/91/532847491.db2.gz PCPKRBQADSXLFO-BXUZGUMPSA-N 1 0 383.290 2.238 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415487594 532847496 /nfs/dbraw/zinc/84/74/96/532847496.db2.gz NDANPZZMKUMJAR-UHFFFAOYSA-N 1 0 382.302 2.320 20 0 GEADRO CC[NH+]1C[C@H](C)N(Cc2nnnn2-c2ccccc2Br)[C@@H](C)C1 ZINC000331985181 532847647 /nfs/dbraw/zinc/84/76/47/532847647.db2.gz TVMLDAXCSJYVSI-STQMWFEESA-N 1 0 379.306 2.339 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415497613 532847697 /nfs/dbraw/zinc/84/76/97/532847697.db2.gz IJBKKYYWEHZCNF-NSHDSACASA-N 1 0 382.287 2.793 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415487965 532847241 /nfs/dbraw/zinc/84/72/41/532847241.db2.gz HORGGJMZHDKKET-CYBMUJFWSA-N 1 0 380.286 2.087 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415498024 532847781 /nfs/dbraw/zinc/84/77/81/532847781.db2.gz IXDIDZIRMBTFMB-ZETCQYMHSA-N 1 0 388.266 2.966 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415506968 532848281 /nfs/dbraw/zinc/84/82/81/532848281.db2.gz UKRGKQWSFDUTRP-NSHDSACASA-N 1 0 382.287 2.923 20 0 GEADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415517903 532848369 /nfs/dbraw/zinc/84/83/69/532848369.db2.gz LSWYDTMNQROYDN-JTQLQIEISA-N 1 0 376.404 2.091 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000415531475 532848715 /nfs/dbraw/zinc/84/87/15/532848715.db2.gz VBQAETSQFUIPTC-VXGBXAGGSA-N 1 0 398.301 2.371 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCc1cn2c(n1)SCC2 ZINC000274362414 532848583 /nfs/dbraw/zinc/84/85/83/532848583.db2.gz NTHXJVDICUBLMU-UHFFFAOYSA-N 1 0 379.555 2.366 20 0 GEADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415533014 532848824 /nfs/dbraw/zinc/84/88/24/532848824.db2.gz HDMBLGOWRZFMFT-UHFFFAOYSA-N 1 0 381.057 2.030 20 0 GEADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415529689 532848868 /nfs/dbraw/zinc/84/88/68/532848868.db2.gz XHTXPJDHHYUCEQ-SNVBAGLBSA-N 1 0 376.404 2.091 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000332181204 532849242 /nfs/dbraw/zinc/84/92/42/532849242.db2.gz DSXAENDTXRYCLZ-CQSZACIVSA-N 1 0 385.295 2.099 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274395531 532849449 /nfs/dbraw/zinc/84/94/49/532849449.db2.gz XSOJTBGPQUKVEF-UHFFFAOYSA-N 1 0 391.697 2.283 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415537499 532849576 /nfs/dbraw/zinc/84/95/76/532849576.db2.gz GSDSRRWTTQMPMV-NXEZZACHSA-N 1 0 375.803 2.118 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415533547 532849353 /nfs/dbraw/zinc/84/93/53/532849353.db2.gz BENLVDDUAKHIBS-IUCAKERBSA-N 1 0 379.766 2.373 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CCC1 ZINC000415557329 532849814 /nfs/dbraw/zinc/84/98/14/532849814.db2.gz HLCSZJAXHQMRMD-UHFFFAOYSA-N 1 0 378.629 2.178 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415549870 532850074 /nfs/dbraw/zinc/85/00/74/532850074.db2.gz IATKGGKALGXDNA-UHFFFAOYSA-N 1 0 384.249 2.129 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(C)c1Br ZINC000332258959 532850714 /nfs/dbraw/zinc/85/07/14/532850714.db2.gz DDPAVRQQVJYQFE-CHWSQXEVSA-N 1 0 380.286 2.072 20 0 GEADRO C[C@]1(CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CCC[NH2+]C1 ZINC000415571981 532850793 /nfs/dbraw/zinc/85/07/93/532850793.db2.gz AWZDMCKFLHQUTN-SFHVURJKSA-N 1 0 394.313 2.382 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000415576865 532850940 /nfs/dbraw/zinc/85/09/40/532850940.db2.gz YMPGABVNLSVHLP-RYUDHWBXSA-N 1 0 398.301 2.384 20 0 GEADRO COC(=O)c1cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1Br ZINC000415607523 532851290 /nfs/dbraw/zinc/85/12/90/532851290.db2.gz KKMILZKNPMMWJO-SECBINFHSA-N 1 0 380.189 2.340 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415607707 532851330 /nfs/dbraw/zinc/85/13/30/532851330.db2.gz SWUJWLYYPFECJH-KRWDZBQOSA-N 1 0 380.286 2.162 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)n2)s1 ZINC000415633300 532851605 /nfs/dbraw/zinc/85/16/05/532851605.db2.gz QGTGKBGOJYHRIU-TXEJJXNPSA-N 1 0 376.507 2.471 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415640490 532851644 /nfs/dbraw/zinc/85/16/44/532851644.db2.gz VGLATVNOHJKGDQ-GHMZBOCLSA-N 1 0 384.274 2.091 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415638367 532851965 /nfs/dbraw/zinc/85/19/65/532851965.db2.gz BIMAACXLVSMXRD-IUCAKERBSA-N 1 0 376.201 2.052 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415652962 532852088 /nfs/dbraw/zinc/85/20/88/532852088.db2.gz RNFBZXRYJIKLJL-CHWSQXEVSA-N 1 0 391.269 2.322 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332348723 532852111 /nfs/dbraw/zinc/85/21/11/532852111.db2.gz OIXHANRVSZOGSX-SCRDCRAPSA-N 1 0 380.286 2.282 20 0 GEADRO CN(C(=O)Nc1ccnn1-c1ccc(Br)cn1)[C@H](C[NH3+])C1CC1 ZINC000415632353 532851699 /nfs/dbraw/zinc/85/16/99/532851699.db2.gz GIFBKHCVNYFFFS-GFCCVEGCSA-N 1 0 379.262 2.231 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000332344956 532852406 /nfs/dbraw/zinc/85/24/06/532852406.db2.gz UCESFPSQCUPFPU-GARJFASQSA-N 1 0 388.331 2.228 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415666107 532852599 /nfs/dbraw/zinc/85/25/99/532852599.db2.gz DYZBMOZEESSPNT-GWCFXTLKSA-N 1 0 391.269 2.193 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC[NH2+]1 ZINC000415665701 532852626 /nfs/dbraw/zinc/85/26/26/532852626.db2.gz VBRRVOCHDREVHE-KOLCDFICSA-N 1 0 375.803 2.179 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000415682811 532853629 /nfs/dbraw/zinc/85/36/29/532853629.db2.gz SBLBAHRBXGTCPM-MNOVXSKESA-N 1 0 391.269 2.193 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c(Br)c1 ZINC000415677588 532853217 /nfs/dbraw/zinc/85/32/17/532853217.db2.gz OWSFTYJMWZBPPL-CQSZACIVSA-N 1 0 398.301 2.291 20 0 GEADRO CC(C)([NH3+])CNC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415704296 532853978 /nfs/dbraw/zinc/85/39/78/532853978.db2.gz JRJZACRWLHEOFD-UHFFFAOYSA-N 1 0 375.376 2.963 20 0 GEADRO COCC1(CNC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC[NH2+]CC1 ZINC000415699639 532854041 /nfs/dbraw/zinc/85/40/41/532854041.db2.gz AAXOQOJGIPTIKB-UHFFFAOYSA-N 1 0 388.295 2.373 20 0 GEADRO Cc1ccc(CCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(Br)c1 ZINC000274722975 532855100 /nfs/dbraw/zinc/85/51/00/532855100.db2.gz YKFFHKXWZLVRPA-INIZCTEOSA-N 1 0 396.329 2.146 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415716433 532854701 /nfs/dbraw/zinc/85/47/01/532854701.db2.gz ZBMKCRHHLWAOTB-QMMMGPOBSA-N 1 0 375.376 2.915 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1CN(C)CCCN1CC[NH+](C)CC1 ZINC000289425820 532854724 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O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415734781 532855031 /nfs/dbraw/zinc/85/50/31/532855031.db2.gz XULIKDRJGSLXLG-KRWDZBQOSA-N 1 0 376.507 2.412 20 0 GEADRO COc1cc(C[NH2+]CCS(=O)(=O)N(C)C)ccc1OCc1cccs1 ZINC000289447294 532855334 /nfs/dbraw/zinc/85/53/34/532855334.db2.gz BGNKIVOOVVGVER-UHFFFAOYSA-N 1 0 384.523 2.317 20 0 GEADRO C[C@H]1CN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000332453305 532855805 /nfs/dbraw/zinc/85/58/05/532855805.db2.gz MVOMQEPULTXLKP-GWCFXTLKSA-N 1 0 384.274 2.099 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2I)CCO1 ZINC000415753352 532855975 /nfs/dbraw/zinc/85/59/75/532855975.db2.gz GAFHTRAEDQUSPO-VIFPVBQESA-N 1 0 395.628 2.136 20 0 GEADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415741358 532855448 /nfs/dbraw/zinc/85/54/48/532855448.db2.gz IIDPJIFWOZIUDU-NXEZZACHSA-N 1 0 375.778 2.365 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000415745154 532855450 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GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000415845130 532860154 /nfs/dbraw/zinc/86/01/54/532860154.db2.gz UZARDJIKFPMQQF-JDNHERCYSA-N 1 0 375.803 2.323 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415856134 532860512 /nfs/dbraw/zinc/86/05/12/532860512.db2.gz PSENWFBSBUTWPO-OLZOCXBDSA-N 1 0 380.286 2.236 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C[C@@H]1C[NH3+] ZINC000415849119 532860577 /nfs/dbraw/zinc/86/05/77/532860577.db2.gz MKTVYHSJPUBNSI-ZJUUUORDSA-N 1 0 388.693 2.484 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415853590 532860589 /nfs/dbraw/zinc/86/05/89/532860589.db2.gz UKGYPUSZEIJQET-NWDGAFQWSA-N 1 0 398.301 2.230 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415850921 532860748 /nfs/dbraw/zinc/86/07/48/532860748.db2.gz XZXPHBHAYVPUIO-CQSZACIVSA-N 1 0 398.301 2.420 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415848288 532860388 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GEADRO CN(CC[NH3+])C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000415875417 532861479 /nfs/dbraw/zinc/86/14/79/532861479.db2.gz DEMACKJDCNTTJF-UHFFFAOYSA-N 1 0 385.358 2.418 20 0 GEADRO CC(C)(CO)[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000289650779 532861827 /nfs/dbraw/zinc/86/18/27/532861827.db2.gz GCOYMLWRGUSSMK-MRXNPFEDSA-N 1 0 384.523 2.124 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)n2)s1 ZINC000415900654 532861981 /nfs/dbraw/zinc/86/19/81/532861981.db2.gz WKWUHPHSAXXIPT-NEPJUHHUSA-N 1 0 376.507 2.186 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)C(F)(F)F ZINC000416004881 532862351 /nfs/dbraw/zinc/86/23/51/532862351.db2.gz JALAXAMEMFGBMU-ZYHUDNBSSA-N 1 0 378.782 2.024 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415899969 532862136 /nfs/dbraw/zinc/86/21/36/532862136.db2.gz VQHYZHBZANFJKX-UHFFFAOYSA-N 1 0 384.249 2.261 20 0 GEADRO [NH3+]CCOc1ccc(NC(=O)NCCCn2cc(Br)cn2)cc1 ZINC000415951611 532862480 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CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000418419883 532880857 /nfs/dbraw/zinc/88/08/57/532880857.db2.gz ZLSPWKOZQPICIX-OAHLLOKOSA-N 1 0 387.311 2.444 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418434499 532880883 /nfs/dbraw/zinc/88/08/83/532880883.db2.gz FDDZEPZOJVPZBJ-UKRRQHHQSA-N 1 0 386.334 2.273 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](CCO)C1CCOCC1 ZINC000275669426 532881035 /nfs/dbraw/zinc/88/10/35/532881035.db2.gz YVAWITWGXBFJKI-UHFFFAOYSA-N 1 0 375.296 2.425 20 0 GEADRO Brc1ccn2cc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)nc2c1 ZINC000290439039 532881098 /nfs/dbraw/zinc/88/10/98/532881098.db2.gz NSEFYOSSOZXWKC-AWEZNQCLSA-N 1 0 379.302 2.251 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418457343 532881292 /nfs/dbraw/zinc/88/12/92/532881292.db2.gz DNMAZFVNIGIADB-GOEBONIOSA-N 1 0 386.334 2.417 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000418448415 532881298 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C[N@@H+]1CCC[C@H](N2CCN(C(=O)COc3cccc(Br)c3)CC2)C1 ZINC000363219471 532897812 /nfs/dbraw/zinc/89/78/12/532897812.db2.gz SCTUDZQYOLVVES-INIZCTEOSA-N 1 0 396.329 2.066 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cn(C)nc2C(F)F)c(C)s1 ZINC000291176420 532897992 /nfs/dbraw/zinc/89/79/92/532897992.db2.gz KHNDGDPNZXIJKP-UHFFFAOYSA-N 1 0 378.470 2.104 20 0 GEADRO C[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000291280613 532899526 /nfs/dbraw/zinc/89/95/26/532899526.db2.gz YUABLAPWKUEMGU-HNNXBMFYSA-N 1 0 380.432 2.095 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)C[C@@H]21 ZINC000363667966 532900015 /nfs/dbraw/zinc/90/00/15/532900015.db2.gz ANUQVBKHSIPJGE-VHRBIJSZSA-N 1 0 381.270 2.420 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCc1cccc(Br)c1 ZINC000291333493 532900116 /nfs/dbraw/zinc/90/01/16/532900116.db2.gz VZXRWCRVPYVYJM-OAHLLOKOSA-N 1 0 397.361 2.269 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c(Br)n1 ZINC000276721125 532900196 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CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000276786765 532900940 /nfs/dbraw/zinc/90/09/40/532900940.db2.gz QKKDFZLYFQVSBZ-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO O=C(CSc1ccc(Cl)cc1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000363759936 532901067 /nfs/dbraw/zinc/90/10/67/532901067.db2.gz FLHFNVKYNTZVAW-UHFFFAOYSA-N 1 0 384.929 2.118 20 0 GEADRO O=C(NCCCNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000363830370 532901258 /nfs/dbraw/zinc/90/12/58/532901258.db2.gz SJWZVUHGRLOXAO-INIZCTEOSA-N 1 0 394.313 2.027 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(S(=O)(=O)CC)s1 ZINC000291628987 532905496 /nfs/dbraw/zinc/90/54/96/532905496.db2.gz SICDOZQQMQTUCC-ZDUSSCGKSA-N 1 0 375.560 2.461 20 0 GEADRO O=C(Cc1ccc(Cl)cc1Cl)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364092484 532903394 /nfs/dbraw/zinc/90/33/94/532903394.db2.gz IUMMANMXOWNKQA-UHFFFAOYSA-N 1 0 387.307 2.222 20 0 GEADRO CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@H](C)N2CCSCC2)n1 ZINC000276940570 532903818 /nfs/dbraw/zinc/90/38/18/532903818.db2.gz 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C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000276985724 532905087 /nfs/dbraw/zinc/90/50/87/532905087.db2.gz VIRJRNGXGKQHNI-UKRRQHHQSA-N 1 0 388.917 2.128 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1 ZINC000364350923 532906416 /nfs/dbraw/zinc/90/64/16/532906416.db2.gz FQSYVEOSFSXXMF-CQSZACIVSA-N 1 0 382.917 2.236 20 0 GEADRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000277035117 532906672 /nfs/dbraw/zinc/90/66/72/532906672.db2.gz SMYSJOJJJQRDEF-DGCLKSJQSA-N 1 0 376.425 2.169 20 0 GEADRO Brc1cnn(CCC[NH2+]Cc2cnnn2Cc2ccccc2)c1 ZINC000291686142 532907073 /nfs/dbraw/zinc/90/70/73/532907073.db2.gz IJOADUAOMJNBQJ-UHFFFAOYSA-N 1 0 375.274 2.465 20 0 GEADRO O=S(=O)(CCc1ccccc1Br)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000291698664 532907393 /nfs/dbraw/zinc/90/73/93/532907393.db2.gz NKDVLWDZMDCARJ-ZDUSSCGKSA-N 1 0 387.343 2.395 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000291861630 532909669 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GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000365243206 532908877 /nfs/dbraw/zinc/90/88/77/532908877.db2.gz ASIMTJWKDUXOFV-MNOVXSKESA-N 1 0 390.242 2.050 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000291828981 532909091 /nfs/dbraw/zinc/90/90/91/532909091.db2.gz FUCIIYMXFQZCAC-HNNXBMFYSA-N 1 0 389.315 2.174 20 0 GEADRO O=C(CCOc1cccc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000365514829 532911002 /nfs/dbraw/zinc/91/10/02/532911002.db2.gz RGZAPWACVYLAEN-OAHLLOKOSA-N 1 0 397.313 2.399 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000291970954 532911476 /nfs/dbraw/zinc/91/14/76/532911476.db2.gz SOVYHUQATWSLMN-XHDPSFHLSA-N 1 0 381.270 2.402 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cc(C)cnc3Br)C2)CC1 ZINC000291996060 532911766 /nfs/dbraw/zinc/91/17/66/532911766.db2.gz HHUDJMFAMPJLAG-CQSZACIVSA-N 1 0 396.333 2.396 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)CSc2n[n-]c(=S)s2)c2ccccc2O1 ZINC000366170923 532914897 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ZINC000735939949 599288039 /nfs/dbraw/zinc/28/80/39/599288039.db2.gz MBRABRNZBJFDBD-INIZCTEOSA-N 1 0 382.472 2.079 20 0 GEADRO Cc1c(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cccc1-c1nn[nH]n1 ZINC000822059509 607325288 /nfs/dbraw/zinc/32/52/88/607325288.db2.gz BRVRDVXAABOISC-MRXNPFEDSA-N 1 0 377.452 2.421 20 0 GEADRO CCCOc1cccc(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821139174 607325734 /nfs/dbraw/zinc/32/57/34/607325734.db2.gz QVPBZEPCTDOPDG-GOSISDBHSA-N 1 0 380.452 2.014 20 0 GEADRO CC(C)C[C@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735794962 598234181 /nfs/dbraw/zinc/23/41/81/598234181.db2.gz JGEHWVHHJBJPLB-UZLBHIALSA-N 1 0 397.483 2.102 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736481356 598237599 /nfs/dbraw/zinc/23/75/99/598237599.db2.gz OGHOPPPADLLSPT-SFHVURJKSA-N 1 0 384.484 2.111 20 0 GEADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736848273 598239702 /nfs/dbraw/zinc/23/97/02/598239702.db2.gz LFCVAOAPDLDVIX-AWEZNQCLSA-N 1 0 396.451 2.062 20 0 GEADRO COc1ccccc1CC[N@H+](C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737150317 598247986 /nfs/dbraw/zinc/24/79/86/598247986.db2.gz NTUFVTDHSYINGY-SFHVURJKSA-N 1 0 392.463 2.155 20 0 GEADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000738146119 598266229 /nfs/dbraw/zinc/26/62/29/598266229.db2.gz PZAADJXHIFLJMS-LBPRGKRZSA-N 1 0 393.398 2.170 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736772060 598268911 /nfs/dbraw/zinc/26/89/11/598268911.db2.gz VULUNFLYMLYOFG-UHFFFAOYSA-N 1 0 379.468 2.270 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)[NH+]2CCCC2)o1 ZINC000737320951 598288366 /nfs/dbraw/zinc/28/83/66/598288366.db2.gz RUIPUJXHKTXKOW-QGZVFWFLSA-N 1 0 395.467 2.133 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000738409610 598319412 /nfs/dbraw/zinc/31/94/12/598319412.db2.gz UFTGIWGDZAUFFY-UHFFFAOYSA-N 1 0 377.905 2.433 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[NH+](C)C)cc1 ZINC000737321351 598321151 /nfs/dbraw/zinc/32/11/51/598321151.db2.gz UNPSJCYXWXCEFV-GOSISDBHSA-N 1 0 397.458 2.416 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736227078 598325413 /nfs/dbraw/zinc/32/54/13/598325413.db2.gz YXRBWUHGQSZJLA-MGPQQGTHSA-N 1 0 389.479 2.171 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736859741 598346524 /nfs/dbraw/zinc/34/65/24/598346524.db2.gz IPNYGZAOZHYTNQ-IAGOWNOFSA-N 1 0 386.525 2.185 20 0 GEADRO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000737441749 598355514 /nfs/dbraw/zinc/35/55/14/598355514.db2.gz AWXRKRXIQOCRBK-KRWDZBQOSA-N 1 0 380.456 2.037 20 0 GEADRO C[C@H](CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC000736026318 598356835 /nfs/dbraw/zinc/35/68/35/598356835.db2.gz RIMJZZRVJGAEDQ-CQSZACIVSA-N 1 0 396.451 2.253 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736573163 598358021 /nfs/dbraw/zinc/35/80/21/598358021.db2.gz XSWGWSSQIYDWRY-INIZCTEOSA-N 1 0 396.451 2.253 20 0 GEADRO Cc1csc(N2CC[N@@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)n1 ZINC000737451882 598364394 /nfs/dbraw/zinc/36/43/94/598364394.db2.gz DUVBCBAPYVIGHL-AWEZNQCLSA-N 1 0 385.497 2.221 20 0 GEADRO C[C@@H]1CN(Cc2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736291004 598364852 /nfs/dbraw/zinc/36/48/52/598364852.db2.gz TVVZPCDKXVLTLZ-QRWLVFNGSA-N 1 0 396.470 2.246 20 0 GEADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000736829081 598366262 /nfs/dbraw/zinc/36/62/62/598366262.db2.gz WHIWYXDBGAQKQU-KRWDZBQOSA-N 1 0 384.509 2.434 20 0 GEADRO Cc1nc(CN2CCC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000737477195 598367541 /nfs/dbraw/zinc/36/75/41/598367541.db2.gz KZQLIRPIVGDFBT-UHFFFAOYSA-N 1 0 397.483 2.058 20 0 GEADRO O=C(C[N@@H+]1CCC[C@H](Cc2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737878368 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20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738035842 598478811 /nfs/dbraw/zinc/47/88/11/598478811.db2.gz NAGRJYNZXVNJEG-ZWKOTPCHSA-N 1 0 381.484 2.168 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738099362 598484442 /nfs/dbraw/zinc/48/44/42/598484442.db2.gz DEIYVARXSQTPER-MRXNPFEDSA-N 1 0 387.463 2.166 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736857462 598497041 /nfs/dbraw/zinc/49/70/41/598497041.db2.gz NXSIPCPSNMCJKQ-CQSZACIVSA-N 1 0 396.451 2.110 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C12CC3CC(CC(C3)C1)C2 ZINC000736135836 598516854 /nfs/dbraw/zinc/51/68/54/598516854.db2.gz QDYASSUYYKOKTP-UCLAKFIYSA-N 1 0 382.516 2.299 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(C(F)(F)F)c1 ZINC000736136393 598517119 /nfs/dbraw/zinc/51/71/19/598517119.db2.gz RNHMQNXJZMJMBI-WDEREUQCSA-N 1 0 392.389 2.475 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)C2 ZINC000738424534 598517428 /nfs/dbraw/zinc/51/74/28/598517428.db2.gz DXTMSUGKQHPITD-OAHLLOKOSA-N 1 0 386.463 2.484 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)CCCC2 ZINC000736132213 598518292 /nfs/dbraw/zinc/51/82/92/598518292.db2.gz AKLNLRIBAWROBH-UONOGXRCSA-N 1 0 378.484 2.335 20 0 GEADRO CCCCOc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736463393 598523002 /nfs/dbraw/zinc/52/30/02/598523002.db2.gz MMMNBPLFJJBFDB-HNNXBMFYSA-N 1 0 382.472 2.074 20 0 GEADRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735987324 598525670 /nfs/dbraw/zinc/52/56/70/598525670.db2.gz YQUDBOMISVDIMI-GJZGRUSLSA-N 1 0 380.500 2.451 20 0 GEADRO COc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737146653 598526052 /nfs/dbraw/zinc/52/60/52/598526052.db2.gz IOYPOLWGMOIGBB-VQIMIIECSA-N 1 0 395.463 2.452 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1csc(-c3ccccc3)n1)C2 ZINC000738424318 598526632 /nfs/dbraw/zinc/52/66/32/598526632.db2.gz YWODTQDSFDHYPN-GFCCVEGCSA-N 1 0 393.480 2.018 20 0 GEADRO CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736491195 598527403 /nfs/dbraw/zinc/52/74/03/598527403.db2.gz TXKBMGSTSMSHLN-KBPBESRZSA-N 1 0 382.472 2.245 20 0 GEADRO CC(C)(C)OCc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735639177 598528765 /nfs/dbraw/zinc/52/87/65/598528765.db2.gz DCGGQXUABZLEFT-INIZCTEOSA-N 1 0 396.499 2.210 20 0 GEADRO Fc1ccc([C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCC2)cc1 ZINC000737652566 598529818 /nfs/dbraw/zinc/52/98/18/598529818.db2.gz VECBBFUIPGRXGO-PXAZEXFGSA-N 1 0 382.447 2.375 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000738024209 598556708 /nfs/dbraw/zinc/55/67/08/598556708.db2.gz JMIHYNWYBHKZTA-AWEZNQCLSA-N 1 0 394.435 2.005 20 0 GEADRO COc1cccc([C@@H](CNc2nc3ccccn3c2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000737126506 598566864 /nfs/dbraw/zinc/56/68/64/598566864.db2.gz MZXSCCHOOGGMIN-OAHLLOKOSA-N 1 0 378.440 2.238 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1-c1nn[nH]n1 ZINC000737190430 598566946 /nfs/dbraw/zinc/56/69/46/598566946.db2.gz ZESUJMGZMXELIZ-GFCCVEGCSA-N 1 0 387.513 2.027 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000736757916 598600820 /nfs/dbraw/zinc/60/08/20/598600820.db2.gz ZIEZPBZBJWKNNY-QGZVFWFLSA-N 1 0 392.463 2.222 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000735734901 598613444 /nfs/dbraw/zinc/61/34/44/598613444.db2.gz PREDSCRWFHTISO-LMMKCTJWSA-N 1 0 398.511 2.355 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000735734899 598613542 /nfs/dbraw/zinc/61/35/42/598613542.db2.gz PREDSCRWFHTISO-AOIWGVFYSA-N 1 0 398.511 2.355 20 0 GEADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CCCC1(C)C ZINC000736989041 598614304 /nfs/dbraw/zinc/61/43/04/598614304.db2.gz 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O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000737833635 598686055 /nfs/dbraw/zinc/68/60/55/598686055.db2.gz ZBLACTRMHXTEBK-DLBZAZTESA-N 1 0 384.484 2.159 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000737833676 598690726 /nfs/dbraw/zinc/69/07/26/598690726.db2.gz ZXZFKFZIAIDGBO-QGZVFWFLSA-N 1 0 384.484 2.016 20 0 GEADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H](C)O1 ZINC000736408925 598706756 /nfs/dbraw/zinc/70/67/56/598706756.db2.gz LBOQAFSRBAEZLH-VXGBXAGGSA-N 1 0 390.513 2.245 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](CNc2ccccn2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838200 598762938 /nfs/dbraw/zinc/76/29/38/598762938.db2.gz KIIXDVPJUCEQFS-CYBMUJFWSA-N 1 0 398.496 2.086 20 0 GEADRO C[NH+]1CCC(N(C(=O)COc2ccccc2-c2nn[nH]n2)c2ccccc2)CC1 ZINC000736851705 598763782 /nfs/dbraw/zinc/76/37/82/598763782.db2.gz KQBMZPSMAMWIHT-UHFFFAOYSA-N 1 0 392.463 2.373 20 0 GEADRO C[C@@H](Nc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)[C@H](C)[NH+]1CCOCC1 ZINC000736136682 598771573 /nfs/dbraw/zinc/77/15/73/598771573.db2.gz GOFKENBRCLUTBQ-MNOVXSKESA-N 1 0 389.410 2.214 20 0 GEADRO Fc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(-c2nn[nH]n2)c1 ZINC000737647408 598775524 /nfs/dbraw/zinc/77/55/24/598775524.db2.gz CVELPNIELOGVDX-UHFFFAOYSA-N 1 0 378.415 2.428 20 0 GEADRO C[C@H]1CN(c2cccc(F)c2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736295815 598787439 /nfs/dbraw/zinc/78/74/39/598787439.db2.gz YMGRUZWFGSKMKY-KSSFIOAISA-N 1 0 382.443 2.250 20 0 GEADRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000735585862 598796404 /nfs/dbraw/zinc/79/64/04/598796404.db2.gz HCHIMCAFTFDLKQ-HNNXBMFYSA-N 1 0 386.500 2.120 20 0 GEADRO C[N@H+](CCN1CCN(c2ccccc2-c2nn[nH]n2)CC1)Cc1ccccc1 ZINC000736799739 598797655 /nfs/dbraw/zinc/79/76/55/598797655.db2.gz XMLRMWCDSHGFEE-UHFFFAOYSA-N 1 0 377.496 2.121 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736850118 598814730 /nfs/dbraw/zinc/81/47/30/598814730.db2.gz ZQIZGKBFUGSBJD-CQSZACIVSA-N 1 0 378.436 2.341 20 0 GEADRO COc1ccc([C@@H](CO)[N@H+](C)CCCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737076908 598820931 /nfs/dbraw/zinc/82/09/31/598820931.db2.gz SYTQNLVAMKISGP-LJQANCHMSA-N 1 0 383.452 2.310 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[NH+](CC2CC2)CC1 ZINC000823303268 599295416 /nfs/dbraw/zinc/29/54/16/599295416.db2.gz FHVKCHLYNIYPMG-UHFFFAOYSA-N 1 0 395.389 2.445 20 0 GEADRO C[C@@H]1CC[C@@H](CCC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820684084 599311072 /nfs/dbraw/zinc/31/10/72/599311072.db2.gz LWVPQBPBUJWLLM-APWZRJJASA-N 1 0 398.511 2.249 20 0 GEADRO CC[C@@H]1CN(CCn2cccn2)CC[N@@H+]1[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736407716 599317073 /nfs/dbraw/zinc/31/70/73/599317073.db2.gz QBTPRPJDPMXWAN-VQIMIIECSA-N 1 0 380.500 2.221 20 0 GEADRO Cc1nc(CN2CCC[C@@H]([N@@H+](C)[C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737477170 599317912 /nfs/dbraw/zinc/31/79/12/599317912.db2.gz KQFUHVRQSJZIEJ-CXAGYDPISA-N 1 0 382.472 2.216 20 0 GEADRO CCc1nc(CN2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000736704330 599320216 /nfs/dbraw/zinc/32/02/16/599320216.db2.gz MOGSMCUYKIZOJJ-CZUORRHYSA-N 1 0 382.472 2.127 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000822505690 599329863 /nfs/dbraw/zinc/32/98/63/599329863.db2.gz RIZRIJLCJSHPFR-MRXNPFEDSA-N 1 0 384.513 2.465 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736766619 599351953 /nfs/dbraw/zinc/35/19/53/599351953.db2.gz FGINEYVOAUDZTN-ZDUSSCGKSA-N 1 0 393.879 2.095 20 0 GEADRO CC(C)[C@@H](CO)[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000735710760 599355024 /nfs/dbraw/zinc/35/50/24/599355024.db2.gz OHCOYTMUIHFQNU-LJQANCHMSA-N 1 0 394.479 2.324 20 0 GEADRO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736381026 599357009 /nfs/dbraw/zinc/35/70/09/599357009.db2.gz GTYHJVXHZWHNJE-LJQANCHMSA-N 1 0 392.507 2.422 20 0 GEADRO C[NH+](C)CCC1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736759482 599359465 /nfs/dbraw/zinc/35/94/65/599359465.db2.gz SHCNPYDDTZZTIC-UHFFFAOYSA-N 1 0 391.907 2.122 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000820404396 599372405 /nfs/dbraw/zinc/37/24/05/599372405.db2.gz UNCLWUGYWMZTMW-LSDHHAIUSA-N 1 0 376.464 2.491 20 0 GEADRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C(C)C ZINC000821683874 599381478 /nfs/dbraw/zinc/38/14/78/599381478.db2.gz MKTAEBYYZFDHSW-CMPLNLGQSA-N 1 0 378.502 2.005 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)NC1CCCCC1 ZINC000820414567 599388665 /nfs/dbraw/zinc/38/86/65/599388665.db2.gz ZFUBPYAYVPLBAA-STQMWFEESA-N 1 0 385.472 2.064 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000820413476 599389402 /nfs/dbraw/zinc/38/94/02/599389402.db2.gz QPJZDRDYVWEXGQ-NWDGAFQWSA-N 1 0 380.408 2.273 20 0 GEADRO COc1ccc(C[NH2+]CCCN2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821814052 599399872 /nfs/dbraw/zinc/39/98/72/599399872.db2.gz SUKKNGUKHFPNDC-UHFFFAOYSA-N 1 0 378.480 2.413 20 0 GEADRO COc1ccc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)cc1-c1nn[nH]n1 ZINC000821818672 599404239 /nfs/dbraw/zinc/40/42/39/599404239.db2.gz XJGUWBGXCGVLNE-UHFFFAOYSA-N 1 0 378.436 2.292 20 0 GEADRO CC1(C)CC(NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC(C)(C)[NH2+]1 ZINC000820590239 599404629 /nfs/dbraw/zinc/40/46/29/599404629.db2.gz QVOMEHRFBJYPLT-UHFFFAOYSA-N 1 0 375.452 2.114 20 0 GEADRO COc1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821805256 599414789 /nfs/dbraw/zinc/41/47/89/599414789.db2.gz SFALHQUJDCUQQZ-KRWDZBQOSA-N 1 0 380.452 2.185 20 0 GEADRO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821222763 599416143 /nfs/dbraw/zinc/41/61/43/599416143.db2.gz YTUUEYWEJOJVBT-UHFFFAOYSA-N 1 0 380.452 2.014 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000820708946 599417937 /nfs/dbraw/zinc/41/79/37/599417937.db2.gz AKPHIXWCPKEDJT-CQSZACIVSA-N 1 0 389.479 2.317 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000819914334 599421382 /nfs/dbraw/zinc/42/13/82/599421382.db2.gz QHNMXBUTDQZRJM-UHFFFAOYSA-N 1 0 375.452 2.068 20 0 GEADRO C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820365499 599422485 /nfs/dbraw/zinc/42/24/85/599422485.db2.gz KLNBYXQHZWSRSW-HNNXBMFYSA-N 1 0 379.468 2.359 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)cc1-c1nn[nH]n1 ZINC000821808135 599422633 /nfs/dbraw/zinc/42/26/33/599422633.db2.gz AQSMZYLMLXITJO-INIZCTEOSA-N 1 0 394.479 2.500 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000821810213 599434179 /nfs/dbraw/zinc/43/41/79/599434179.db2.gz XMFIWTWASKSKOD-CQSZACIVSA-N 1 0 388.472 2.364 20 0 GEADRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736801676 599448793 /nfs/dbraw/zinc/44/87/93/599448793.db2.gz SWEAVGVEMSUTNA-UHFFFAOYSA-N 1 0 385.472 2.466 20 0 GEADRO Clc1cccc(C2CC([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)c1 ZINC000822586419 599450943 /nfs/dbraw/zinc/45/09/43/599450943.db2.gz YBVPYDMMNFRHOB-ZOODHJKOSA-N 1 0 384.875 2.294 20 0 GEADRO COc1cccc(O[C@H](C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000821872697 599454635 /nfs/dbraw/zinc/45/46/35/599454635.db2.gz NXVXGPHNZINTSY-CYBMUJFWSA-N 1 0 379.424 2.080 20 0 GEADRO COc1ccc(O[C@H](C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000821839283 599458448 /nfs/dbraw/zinc/45/84/48/599458448.db2.gz SVVNGZVESONIHI-CYBMUJFWSA-N 1 0 379.424 2.080 20 0 GEADRO c1cnn(Cc2ccc(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)cc2)c1 ZINC000738449761 599484256 /nfs/dbraw/zinc/48/42/56/599484256.db2.gz VRSIZJFHBHQUHI-UHFFFAOYSA-N 1 0 385.435 2.049 20 0 GEADRO CC(C)Oc1cccc([C@@H](O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000735912880 599490268 /nfs/dbraw/zinc/49/02/68/599490268.db2.gz IXIKHBVOCRMDNB-SFHVURJKSA-N 1 0 393.451 2.125 20 0 GEADRO C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2F)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820768610 599530913 /nfs/dbraw/zinc/53/09/13/599530913.db2.gz OTTVOOVISKBOMS-IFXJQAMLSA-N 1 0 382.443 2.250 20 0 GEADRO CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)C[C@H]1C ZINC000821378170 599533703 /nfs/dbraw/zinc/53/37/03/599533703.db2.gz KIMZWEUEENZMEW-OAHLLOKOSA-N 1 0 381.484 2.270 20 0 GEADRO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000822491535 599535300 /nfs/dbraw/zinc/53/53/00/599535300.db2.gz CKKZUNURYYTDGY-UHFFFAOYSA-N 1 0 386.891 2.193 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000821625647 599544359 /nfs/dbraw/zinc/54/43/59/599544359.db2.gz SPAKANKFHCHQBI-INIZCTEOSA-N 1 0 392.511 2.021 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000736224830 599554430 /nfs/dbraw/zinc/55/44/30/599554430.db2.gz BDYHUOLLCRBYQW-YJBOKZPZSA-N 1 0 391.479 2.387 20 0 GEADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737942310 599556783 /nfs/dbraw/zinc/55/67/83/599556783.db2.gz ISLIAMSQTHNMML-INIZCTEOSA-N 1 0 386.525 2.436 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC([NH+]4CCCCC4)CC3)o2)c1 ZINC000823737809 599565208 /nfs/dbraw/zinc/56/52/08/599565208.db2.gz KTBJIPIGBHRZRR-UHFFFAOYSA-N 1 0 394.483 2.367 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736756759 599567433 /nfs/dbraw/zinc/56/74/33/599567433.db2.gz LGVYHPCWDNXFLG-GOSISDBHSA-N 1 0 377.452 2.386 20 0 GEADRO CC(C)[NH+]1CCC(N(C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000820127654 599569433 /nfs/dbraw/zinc/56/94/33/599569433.db2.gz LJXUWOUQFDZOLI-UHFFFAOYSA-N 1 0 382.472 2.221 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000819939562 599588111 /nfs/dbraw/zinc/58/81/11/599588111.db2.gz GIDMXTCPADFMRT-AWEZNQCLSA-N 1 0 376.436 2.495 20 0 GEADRO C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736302930 599591357 /nfs/dbraw/zinc/59/13/57/599591357.db2.gz IPZNXNGVMRBJJL-GUYCJALGSA-N 1 0 383.427 2.365 20 0 GEADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 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C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000833404574 605212668 /nfs/dbraw/zinc/21/26/68/605212668.db2.gz MIEOBVNBYTWQBK-INIZCTEOSA-N 1 0 375.513 2.443 20 0 GEADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000826470941 607746536 /nfs/dbraw/zinc/74/65/36/607746536.db2.gz JAHVYTAPXJJFLF-OAQYLSRUSA-N 1 0 391.479 2.323 20 0 GEADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000825119250 607752623 /nfs/dbraw/zinc/75/26/23/607752623.db2.gz BQGCECSUXJDIMR-ZDUSSCGKSA-N 1 0 377.495 2.270 20 0 GEADRO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000824808018 607753331 /nfs/dbraw/zinc/75/33/31/607753331.db2.gz PBASNADCFHRECZ-GUYCJALGSA-N 1 0 378.484 2.408 20 0 GEADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826471357 607754825 /nfs/dbraw/zinc/75/48/25/607754825.db2.gz WFPBGSPRAUTPOC-VQIMIIECSA-N 1 0 391.479 2.322 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(C2CCOCC2)CC1 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ZINC000823031749 606125632 /nfs/dbraw/zinc/12/56/32/606125632.db2.gz HYGUAOVFOHDMBV-UHFFFAOYSA-N 1 0 384.484 2.159 20 0 GEADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000821622100 606200273 /nfs/dbraw/zinc/20/02/73/606200273.db2.gz RVOKGMOKBIQVLH-UHFFFAOYSA-N 1 0 383.544 2.499 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000820426543 606210842 /nfs/dbraw/zinc/21/08/42/606210842.db2.gz LKMYIRMVIDFZDX-GFCCVEGCSA-N 1 0 398.492 2.436 20 0 GEADRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000820426462 606210973 /nfs/dbraw/zinc/21/09/73/606210973.db2.gz KDGJCWYVDRRVNX-NSHDSACASA-N 1 0 392.510 2.029 20 0 GEADRO O=C(Nc1cccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1)[C@H]1CCCO1 ZINC000823364063 606214807 /nfs/dbraw/zinc/21/48/07/606214807.db2.gz XRPWXMGRRNKOKI-MRXNPFEDSA-N 1 0 384.465 2.336 20 0 GEADRO Cc1ccc([C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)N2CCOCC2)s1 ZINC000822230706 606217046 /nfs/dbraw/zinc/21/70/46/606217046.db2.gz 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O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000823551011 606419104 /nfs/dbraw/zinc/41/91/04/606419104.db2.gz BQDOZRHMGSCTMZ-UHFFFAOYSA-N 1 0 382.449 2.094 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000821159937 606436968 /nfs/dbraw/zinc/43/69/68/606436968.db2.gz DVGVVPZSHXMVQS-LLVKDONJSA-N 1 0 395.414 2.274 20 0 GEADRO CO[C@]1(C)C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C1(C)C ZINC000821678829 606452513 /nfs/dbraw/zinc/45/25/13/606452513.db2.gz SPTFNKCURLGPQO-SJKOYZFVSA-N 1 0 378.502 2.392 20 0 GEADRO CC[C@@H]1C[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)[C@H](CC)CN1C(C)=O ZINC000820995824 606454163 /nfs/dbraw/zinc/45/41/63/606454163.db2.gz YTEXINHRLHFJAS-QZTJIDSGSA-N 1 0 386.500 2.357 20 0 GEADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000822718920 606455562 /nfs/dbraw/zinc/45/55/62/606455562.db2.gz VEWIMHRZURMFMR-UHFFFAOYSA-N 1 0 396.417 2.434 20 0 GEADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000823713712 606469867 /nfs/dbraw/zinc/46/98/67/606469867.db2.gz INHWBMXHMFMEDA-ZBFHGGJFSA-N 1 0 399.886 2.210 20 0 GEADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822355955 606524872 /nfs/dbraw/zinc/52/48/72/606524872.db2.gz DDRQXDMKLQCXDQ-UHFFFAOYSA-N 1 0 390.491 2.452 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000823098230 606542036 /nfs/dbraw/zinc/54/20/36/606542036.db2.gz MDNYTELUJONYIG-INIZCTEOSA-N 1 0 396.520 2.499 20 0 GEADRO Cc1ccc([C@H](CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)[NH+]2CCCC2)o1 ZINC000822230851 606544152 /nfs/dbraw/zinc/54/41/52/606544152.db2.gz SBVFFVLWDMVGAI-KRWDZBQOSA-N 1 0 380.452 2.264 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820758622 606583580 /nfs/dbraw/zinc/58/35/80/606583580.db2.gz AKZWPGNTVZQCAT-OXQOHEQNSA-N 1 0 390.491 2.436 20 0 GEADRO C[C@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000820380036 606645427 /nfs/dbraw/zinc/64/54/27/606645427.db2.gz JZKJIXVSWXKEMR-AWEZNQCLSA-N 1 0 385.472 2.022 20 0 GEADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc(-c2nn[nH]n2)cs1 ZINC000823363607 606657631 /nfs/dbraw/zinc/65/76/31/606657631.db2.gz IUJWWEHAZATAQT-UHFFFAOYSA-N 1 0 384.465 2.137 20 0 GEADRO O=C(C[NH2+]C1(CO)CCCC1)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000823005579 606660996 /nfs/dbraw/zinc/66/09/96/606660996.db2.gz XQJXTWAQHXBFTM-UHFFFAOYSA-N 1 0 390.513 2.030 20 0 GEADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823155641 606664015 /nfs/dbraw/zinc/66/40/15/606664015.db2.gz VQAVUFJYZMHDMG-CQSZACIVSA-N 1 0 384.390 2.149 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)([NH+](C)C)C1 ZINC000820697610 606672773 /nfs/dbraw/zinc/67/27/73/606672773.db2.gz JMENZISHEQBRJD-VOJFVSQTSA-N 1 0 378.427 2.385 20 0 GEADRO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000823453864 606686856 /nfs/dbraw/zinc/68/68/56/606686856.db2.gz CJIOYOLIDRQQCD-UHFFFAOYSA-N 1 0 376.411 2.235 20 0 GEADRO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823454007 606687709 /nfs/dbraw/zinc/68/77/09/606687709.db2.gz IKDORDNIFDHZMI-LBPRGKRZSA-N 1 0 376.411 2.093 20 0 GEADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820339300 606696302 /nfs/dbraw/zinc/69/63/02/606696302.db2.gz BLRFJXDYPPDBTA-AWEZNQCLSA-N 1 0 383.456 2.294 20 0 GEADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000820759598 606724131 /nfs/dbraw/zinc/72/41/31/606724131.db2.gz MDZPKIXKXCFQOB-ZIAGYGMSSA-N 1 0 379.468 2.081 20 0 GEADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820881895 606750029 /nfs/dbraw/zinc/75/00/29/606750029.db2.gz FCOFJWPDWOWLIM-UHFFFAOYSA-N 1 0 385.428 2.128 20 0 GEADRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000820875432 606771753 /nfs/dbraw/zinc/77/17/53/606771753.db2.gz AGIMPJMSSCMYAN-LSDHHAIUSA-N 1 0 396.499 2.380 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@H]2COCC[C@H]21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822965050 606774533 /nfs/dbraw/zinc/77/45/33/606774533.db2.gz YEEXESIZKLJGEP-BLLLJJGKSA-N 1 0 390.875 2.350 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820403121 606778644 /nfs/dbraw/zinc/77/86/44/606778644.db2.gz HZIGYEHUCFMJKN-WDEREUQCSA-N 1 0 378.864 2.252 20 0 GEADRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820403120 606778657 /nfs/dbraw/zinc/77/86/57/606778657.db2.gz HZIGYEHUCFMJKN-QWRGUYRKSA-N 1 0 378.864 2.252 20 0 GEADRO CCCc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000821138619 606778756 /nfs/dbraw/zinc/77/87/56/606778756.db2.gz CXABHWNEJDOEBW-OAHLLOKOSA-N 1 0 378.484 2.320 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821583309 606791230 /nfs/dbraw/zinc/79/12/30/606791230.db2.gz QQXVKHNDKHGCIE-OAHLLOKOSA-N 1 0 396.451 2.205 20 0 GEADRO CN(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821593902 606796957 /nfs/dbraw/zinc/79/69/57/606796957.db2.gz PEESQEJNUSRCRD-LJQANCHMSA-N 1 0 391.479 2.012 20 0 GEADRO Cc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822206018 606804433 /nfs/dbraw/zinc/80/44/33/606804433.db2.gz RDNSHWGSMVRSBP-CJNGLKHVSA-N 1 0 376.468 2.362 20 0 GEADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000820753387 606834394 /nfs/dbraw/zinc/83/43/94/606834394.db2.gz YPGNSEDUVIAJQZ-MFKMUULPSA-N 1 0 395.414 2.318 20 0 GEADRO CCOc1cc2c(cc1C[NH2+]C[C@H](O)c1ccc(-c3nn[nH]n3)cc1)O[C@@H](C)C2 ZINC000821401335 606845955 /nfs/dbraw/zinc/84/59/55/606845955.db2.gz WCQVYEPQWMVLKX-UGSOOPFHSA-N 1 0 395.463 2.412 20 0 GEADRO O[C@H](C[NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681227 606846631 /nfs/dbraw/zinc/84/66/31/606846631.db2.gz BYAHACVGTSKGGW-IAGOWNOFSA-N 1 0 384.509 2.388 20 0 GEADRO COc1ccc(OC2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821841302 606854479 /nfs/dbraw/zinc/85/44/79/606854479.db2.gz HAZHDAGXJVYGGW-FQEVSTJZSA-N 1 0 395.463 2.452 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689302 606858789 /nfs/dbraw/zinc/85/87/89/606858789.db2.gz DFXRTRDIQODNFQ-GOSISDBHSA-N 1 0 379.399 2.015 20 0 GEADRO O[C@@H](C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673176 606898083 /nfs/dbraw/zinc/89/80/83/606898083.db2.gz JYQXTXZQNQDWIS-PMACEKPBSA-N 1 0 397.454 2.485 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000820753147 606904485 /nfs/dbraw/zinc/90/44/85/606904485.db2.gz WZIMSIVOSGJJAM-RDTXWAMCSA-N 1 0 384.484 2.015 20 0 GEADRO CN(C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821596648 606905581 /nfs/dbraw/zinc/90/55/81/606905581.db2.gz QRYHUAIDCWICLE-RXVVDRJESA-N 1 0 392.507 2.354 20 0 GEADRO CCN(C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1)CC(F)(F)F ZINC000821197892 606906938 /nfs/dbraw/zinc/90/69/38/606906938.db2.gz NNYVPACMWPOBQW-XJKSGUPXSA-N 1 0 398.433 2.106 20 0 GEADRO FC(F)(F)c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723983 606910489 /nfs/dbraw/zinc/91/04/89/606910489.db2.gz VJMJPGTVWABBOZ-ZDUSSCGKSA-N 1 0 382.390 2.187 20 0 GEADRO O=C(NC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCCC1 ZINC000823150577 606921955 /nfs/dbraw/zinc/92/19/55/606921955.db2.gz QHIAFYMULWAZOA-IBGZPJMESA-N 1 0 398.511 2.061 20 0 GEADRO CCc1nnc(N2CC[NH+](CCc3cccs3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821527831 606923589 /nfs/dbraw/zinc/92/35/89/606923589.db2.gz GWBGMVUBHLHTCL-UHFFFAOYSA-N 1 0 398.540 2.208 20 0 GEADRO O[C@H](C[NH2+]C1(c2ccc(F)cc2)CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682957 606925696 /nfs/dbraw/zinc/92/56/96/606925696.db2.gz WJIMXCNQPZMGRF-GOSISDBHSA-N 1 0 383.427 2.335 20 0 GEADRO CCCNC(=O)C1([NH2+]CCCOc2cccc(-c3nn[nH]n3)c2)CCCCC1 ZINC000821114557 606928503 /nfs/dbraw/zinc/92/85/03/606928503.db2.gz XEBKXSPYPBAMFL-UHFFFAOYSA-N 1 0 386.500 2.454 20 0 GEADRO C[C@H](c1ccccc1)[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)CC(N)=O ZINC000822004850 606930052 /nfs/dbraw/zinc/93/00/52/606930052.db2.gz LRPLQTAEHUSPRJ-OAHLLOKOSA-N 1 0 380.452 2.184 20 0 GEADRO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821639371 606930232 /nfs/dbraw/zinc/93/02/32/606930232.db2.gz WZGBSIVAAPQISN-FSPWUOQZSA-N 1 0 381.436 2.040 20 0 GEADRO C[NH+](C)C1CCN(CCNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000821583411 606942224 /nfs/dbraw/zinc/94/22/24/606942224.db2.gz UQKOSMKZHKRLFW-UHFFFAOYSA-N 1 0 383.422 2.323 20 0 GEADRO C[C@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820759312 606969425 /nfs/dbraw/zinc/96/94/25/606969425.db2.gz JEBUNHSCTBKMFL-MGPUTAFESA-N 1 0 396.470 2.246 20 0 GEADRO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821690632 606972891 /nfs/dbraw/zinc/97/28/91/606972891.db2.gz SJTDSTIDUTUZJN-UHFFFAOYSA-N 1 0 385.399 2.383 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000820902791 606986853 /nfs/dbraw/zinc/98/68/53/606986853.db2.gz NTTXKTNCPKHBNZ-QGZVFWFLSA-N 1 0 383.500 2.415 20 0 GEADRO Cn1nnc2cc(C[NH2+]CCSCc3ccccc3-c3nn[nH]n3)ccc21 ZINC000822714648 607008734 /nfs/dbraw/zinc/00/87/34/607008734.db2.gz QSTWJBOEWTVWNH-UHFFFAOYSA-N 1 0 380.481 2.171 20 0 GEADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4nccnc4-c4nn[nH]n4)CC[C@H]32)cc1 ZINC000823779326 607032063 /nfs/dbraw/zinc/03/20/63/607032063.db2.gz ANKBJYNUUFCXSZ-DLBZAZTESA-N 1 0 376.468 2.148 20 0 GEADRO COc1cccc(OCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821877582 607038266 /nfs/dbraw/zinc/03/82/66/607038266.db2.gz MRHLQKYUYHWSMV-UHFFFAOYSA-N 1 0 380.452 2.076 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000822535359 607071492 /nfs/dbraw/zinc/07/14/92/607071492.db2.gz OJIAQIWNBFCRGB-LSDHHAIUSA-N 1 0 395.467 2.115 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000822535357 607071618 /nfs/dbraw/zinc/07/16/18/607071618.db2.gz OJIAQIWNBFCRGB-GJZGRUSLSA-N 1 0 395.467 2.115 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CSCc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625604 607071928 /nfs/dbraw/zinc/07/19/28/607071928.db2.gz RPCRJMIUOQDZPJ-SJORKVTESA-N 1 0 386.525 2.043 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1nc2ccccc2o1 ZINC000821598224 607098874 /nfs/dbraw/zinc/09/88/74/607098874.db2.gz VNTBXJAOFUDSIA-UHFFFAOYSA-N 1 0 377.408 2.469 20 0 GEADRO Cc1nc2[nH]ccc2c(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822449909 607115323 /nfs/dbraw/zinc/11/53/23/607115323.db2.gz URPVDTKLMIFDKI-UHFFFAOYSA-N 1 0 377.456 2.015 20 0 GEADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823350612 607165709 /nfs/dbraw/zinc/16/57/09/607165709.db2.gz UJTIONUBNYOERZ-UHFFFAOYSA-N 1 0 393.451 2.379 20 0 GEADRO C[C@@H]1C[NH+](CCCCNc2c(-c3nn[nH]n3)cnc3ccccc32)C[C@@H](C)O1 ZINC000820761283 607173785 /nfs/dbraw/zinc/17/37/85/607173785.db2.gz WUIGWTPOZSMZGN-HUUCEWRRSA-N 1 0 381.484 2.138 20 0 GEADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC000820709204 607232938 /nfs/dbraw/zinc/23/29/38/607232938.db2.gz FZGFYXNLZKTGOK-LBPRGKRZSA-N 1 0 377.880 2.157 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000819914577 607233375 /nfs/dbraw/zinc/23/33/75/607233375.db2.gz XXYPGYGKWSBQDQ-UHFFFAOYSA-N 1 0 377.880 2.109 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1ccco1 ZINC000821181225 607233626 /nfs/dbraw/zinc/23/36/26/607233626.db2.gz KTLODXCGNHAQKD-ZDUSSCGKSA-N 1 0 389.847 2.321 20 0 GEADRO C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[nH]n3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000824875183 607795219 /nfs/dbraw/zinc/79/52/19/607795219.db2.gz JJBJUDCJXNYWOH-DOTOQJQBSA-N 1 0 391.479 2.292 20 0 GEADRO C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000824875186 607795499 /nfs/dbraw/zinc/79/54/99/607795499.db2.gz JJBJUDCJXNYWOH-WBVHZDCISA-N 1 0 391.479 2.292 20 0 GEADRO C[C@H]1C[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000824875760 607795561 /nfs/dbraw/zinc/79/55/61/607795561.db2.gz ORVBHKBZGAPOQS-HOCLYGCPSA-N 1 0 379.468 2.225 20 0 GEADRO CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824157245 607814408 /nfs/dbraw/zinc/81/44/08/607814408.db2.gz DRZLGSBJVDWDFO-UHFFFAOYSA-N 1 0 385.493 2.208 20 0 GEADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826294527 607815263 /nfs/dbraw/zinc/81/52/63/607815263.db2.gz UHAGOKOVRPNTAO-GOSISDBHSA-N 1 0 383.477 2.226 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826435878 607833789 /nfs/dbraw/zinc/83/37/89/607833789.db2.gz ACBLQMLJHMCQMY-UHFFFAOYSA-N 1 0 399.282 2.016 20 0 GEADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(-c3nn[nH]n3)ccc2C(F)(F)F)CC1 ZINC000824705745 607841261 /nfs/dbraw/zinc/84/12/61/607841261.db2.gz CXLUORFMCQAPPM-GFCCVEGCSA-N 1 0 398.433 2.415 20 0 GEADRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824538414 607842737 /nfs/dbraw/zinc/84/27/37/607842737.db2.gz IYPJNYAGOZWNKT-DXEWXGHRSA-N 1 0 382.468 2.131 20 0 GEADRO COCC[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000826158854 607920915 /nfs/dbraw/zinc/92/09/15/607920915.db2.gz GCJLQQNKQKSDCQ-UHFFFAOYSA-N 1 0 381.436 2.302 20 0 GEADRO COc1cc(C)nc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826178467 607940615 /nfs/dbraw/zinc/94/06/15/607940615.db2.gz ZEPKQAFZRTZTMT-UHFFFAOYSA-N 1 0 379.468 2.291 20 0 GEADRO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826398716 607949411 /nfs/dbraw/zinc/94/94/11/607949411.db2.gz DEQULJJMYMEQON-SFHVURJKSA-N 1 0 389.463 2.063 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2cccc(F)c2)c1-c1nn[nH]n1 ZINC000826077690 608019583 /nfs/dbraw/zinc/01/95/83/608019583.db2.gz QREHONILLMGGNP-NSHDSACASA-N 1 0 386.435 2.013 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1-c1nn[nH]n1 ZINC000826077829 608020048 /nfs/dbraw/zinc/02/00/48/608020048.db2.gz XDFOHJGKEGEENH-YPMHNXCESA-N 1 0 398.471 2.030 20 0 GEADRO CC[C@@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825082063 608020247 /nfs/dbraw/zinc/02/02/47/608020247.db2.gz PVARSPZXHOWDHN-ZDUSSCGKSA-N 1 0 382.472 2.264 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000826175706 608032886 /nfs/dbraw/zinc/03/28/86/608032886.db2.gz NGXOIMDVWFWYQP-UHFFFAOYSA-N 1 0 382.468 2.452 20 0 GEADRO Cc1ccc(SCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1C ZINC000826292969 608036088 /nfs/dbraw/zinc/03/60/88/608036088.db2.gz VHAWRBOOUKXXSS-UHFFFAOYSA-N 1 0 386.529 2.446 20 0 GEADRO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000826213488 608038033 /nfs/dbraw/zinc/03/80/33/608038033.db2.gz YMWZSBFSFVZWOL-AWEZNQCLSA-N 1 0 392.463 2.303 20 0 GEADRO COc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000826179191 608044423 /nfs/dbraw/zinc/04/44/23/608044423.db2.gz DCGNKCROEGQHJS-KDOFPFPSSA-N 1 0 395.463 2.409 20 0 GEADRO C[NH+](C)[C@@]1(CNc2ccc(-c3nn[nH]n3)cc2Br)CCSC1 ZINC000825849730 608050692 /nfs/dbraw/zinc/05/06/92/608050692.db2.gz MBTTXPBHHBYKJA-CQSZACIVSA-N 1 0 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C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824617990 609136977 /nfs/dbraw/zinc/13/69/77/609136977.db2.gz MERPTUORNJTUAH-NSHDSACASA-N 1 0 390.444 2.228 20 0 GEADRO CC[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825181063 609140388 /nfs/dbraw/zinc/14/03/88/609140388.db2.gz BWWNTADSHNCITF-OALUTQOASA-N 1 0 398.511 2.106 20 0 GEADRO C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577001 609146265 /nfs/dbraw/zinc/14/62/65/609146265.db2.gz FTLOJYYSSDHRFI-QVKFZJNVSA-N 1 0 396.470 2.293 20 0 GEADRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1=O ZINC000826220523 609154049 /nfs/dbraw/zinc/15/40/49/609154049.db2.gz QFSPIGNWOAATGC-LRDDRELGSA-N 1 0 396.426 2.471 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C12CCC2 ZINC000825581502 609167209 /nfs/dbraw/zinc/16/72/09/609167209.db2.gz BRSYBYXQUBKKFS-RCCFBDPRSA-N 1 0 396.495 2.299 20 0 GEADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433357 609185591 /nfs/dbraw/zinc/18/55/91/609185591.db2.gz CPVPGYGDCHXKKJ-SFHVURJKSA-N 1 0 398.511 2.205 20 0 GEADRO NC(=O)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)Cc1ccccc1Cl ZINC000826388546 609186871 /nfs/dbraw/zinc/18/68/71/609186871.db2.gz CYIKPEYMAJWNKX-NSHDSACASA-N 1 0 376.873 2.015 20 0 GEADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826432368 609192906 /nfs/dbraw/zinc/19/29/06/609192906.db2.gz YWFMFSCPXJIJNW-UHFFFAOYSA-N 1 0 385.859 2.243 20 0 GEADRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC000824961195 609196279 /nfs/dbraw/zinc/19/62/79/609196279.db2.gz BQNUKVPLIHVVKF-UHFFFAOYSA-N 1 0 379.468 2.357 20 0 GEADRO O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826398576 609223020 /nfs/dbraw/zinc/22/30/20/609223020.db2.gz ZMXOVZRLNNMGKM-VQIMIIECSA-N 1 0 398.511 2.015 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824936019 609230952 /nfs/dbraw/zinc/23/09/52/609230952.db2.gz DMNDCHOPMNYCNA-GPMSIDNRSA-N 1 0 398.511 2.013 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)C[C@@H]1[NH+]1CCCC1 ZINC000446420473 649979968 /nfs/dbraw/zinc/97/99/68/649979968.db2.gz JCSHTXPSBCKYOR-NWDGAFQWSA-N 1 0 386.315 2.202 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C=Cc1ccc(O)cc1 ZINC000825866038 609268685 /nfs/dbraw/zinc/26/86/85/609268685.db2.gz PUHLUUUUIKQBCG-FLIBITNWSA-N 1 0 392.463 2.176 20 0 GEADRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824728754 609285524 /nfs/dbraw/zinc/28/55/24/609285524.db2.gz HBUHEDWVJUUJAU-VYDXJSESSA-N 1 0 398.511 2.403 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000824319694 609315734 /nfs/dbraw/zinc/31/57/34/609315734.db2.gz YVMXUEGGISIRIK-CYBMUJFWSA-N 1 0 385.472 2.426 20 0 GEADRO COc1cccc([C@H]2[C@H](Nc3ccc(-c4nn[nH]n4)nn3)CC[N@@H+]2C2CC2)c1 ZINC000826215177 609323068 /nfs/dbraw/zinc/32/30/68/609323068.db2.gz IMPUBQPCQUCHKA-QAPCUYQASA-N 1 0 378.440 2.055 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824611785 609327583 /nfs/dbraw/zinc/32/75/83/609327583.db2.gz DXUWSUMPBICBNN-LBPRGKRZSA-N 1 0 389.456 2.401 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824573363 609329081 /nfs/dbraw/zinc/32/90/81/609329081.db2.gz ZAPMAQKAJASGPJ-FZMZJTMJSA-N 1 0 375.379 2.235 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824569588 609329132 /nfs/dbraw/zinc/32/91/32/609329132.db2.gz JBJUFJXOJIJXHD-RISCZKNCSA-N 1 0 375.379 2.235 20 0 GEADRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C)C1 ZINC000824945491 609336631 /nfs/dbraw/zinc/33/66/31/609336631.db2.gz CZGKQOAKOQZEAA-HZPDHXFCSA-N 1 0 394.527 2.477 20 0 GEADRO Cn1cc(C[NH2+]C[C@H]2CSCCS2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361529 609342010 /nfs/dbraw/zinc/34/20/10/609342010.db2.gz BBKJWLAUQMEKQA-HNNXBMFYSA-N 1 0 387.538 2.205 20 0 GEADRO COCCOC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826161233 609362809 /nfs/dbraw/zinc/36/28/09/609362809.db2.gz YGGUKRSWAFJXHQ-LBPRGKRZSA-N 1 0 396.289 2.114 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360312 609369889 /nfs/dbraw/zinc/36/98/89/609369889.db2.gz FXPSWTBSMXURRF-HNNXBMFYSA-N 1 0 389.410 2.471 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1-c1nn[nH]n1 ZINC000826332234 609379568 /nfs/dbraw/zinc/37/95/68/609379568.db2.gz NSUJXVFOQCZZRG-YJBOKZPZSA-N 1 0 381.484 2.344 20 0 GEADRO COc1cc(F)cc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826179900 609417006 /nfs/dbraw/zinc/41/70/06/609417006.db2.gz JWOCTRSZQWTZCF-SFHVURJKSA-N 1 0 396.426 2.300 20 0 GEADRO CC(=O)c1ccc(-c2nn[nH]n2)cc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000824019685 609420070 /nfs/dbraw/zinc/42/00/70/609420070.db2.gz LCHGAPKLMZWBBQ-UHFFFAOYSA-N 1 0 376.464 2.434 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(-n2ccnc2)c1 ZINC000824562020 609441190 /nfs/dbraw/zinc/44/11/90/609441190.db2.gz BCZKRHHRVOMNLR-GFCCVEGCSA-N 1 0 394.464 2.403 20 0 GEADRO C[C@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824477976 609455966 /nfs/dbraw/zinc/45/59/66/609455966.db2.gz DQPIBOMCZUJGPZ-JXFKEZNVSA-N 1 0 390.491 2.436 20 0 GEADRO CC1CC[NH+](C[C@H]2CCCN(c3nc4ccccn4c3-c3nn[nH]n3)C2)CC1 ZINC000824953308 609465399 /nfs/dbraw/zinc/46/53/99/609465399.db2.gz DWANAUPOXXFJHA-MRXNPFEDSA-N 1 0 380.500 2.463 20 0 GEADRO NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000826388485 609506768 /nfs/dbraw/zinc/50/67/68/609506768.db2.gz AVPCOWDYSDPOCE-HNNXBMFYSA-N 1 0 390.369 2.072 20 0 GEADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824531357 609512269 /nfs/dbraw/zinc/51/22/69/609512269.db2.gz PDOJXZKAJAWTNL-SDDRHHMPSA-N 1 0 390.513 2.149 20 0 GEADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nccc(C)c3-c3nn[nH]n3)CC2)c1 ZINC000826214482 609548645 /nfs/dbraw/zinc/54/86/45/609548645.db2.gz MWKVEOSNZFYMPG-OAHLLOKOSA-N 1 0 379.468 2.462 20 0 GEADRO Cc1nnc(Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)c(-c2nn[nH]n2)c1C ZINC000826336626 609596992 /nfs/dbraw/zinc/59/69/92/609596992.db2.gz GSXZJYQCLBWESZ-UHFFFAOYSA-N 1 0 394.483 2.146 20 0 GEADRO O=C1[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477132 609600807 /nfs/dbraw/zinc/60/08/07/609600807.db2.gz WJIWJKJMVFOERH-QGZVFWFLSA-N 1 0 388.435 2.028 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000447157921 650000064 /nfs/dbraw/zinc/00/00/64/650000064.db2.gz VLOFLEAJRQSZHV-UHFFFAOYSA-N 1 0 394.313 2.431 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000447247421 650003316 /nfs/dbraw/zinc/00/33/16/650003316.db2.gz RSPYFYPMAARPBJ-IUCAKERBSA-N 1 0 397.722 2.469 20 0 GEADRO C[C@H](CC[NH3+])NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000447252243 650003642 /nfs/dbraw/zinc/00/36/42/650003642.db2.gz YAAYQLGGWUUVBK-SSDOTTSWSA-N 1 0 375.210 2.484 20 0 GEADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](CO)[C@@H]3CCCO3)C2=O)ccc1Br ZINC000447900602 650010675 /nfs/dbraw/zinc/01/06/75/650010675.db2.gz CZJZRVIHPVUKTO-BBWFWOEESA-N 1 0 397.313 2.382 20 0 GEADRO COCC[C@]1([NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)CCOC1 ZINC000447405428 650006332 /nfs/dbraw/zinc/00/63/32/650006332.db2.gz PGGNPPNHJXJTPN-GUYCJALGSA-N 1 0 385.302 2.412 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000447403345 650006372 /nfs/dbraw/zinc/00/63/72/650006372.db2.gz DXYKOQFPULSVFQ-CVEARBPZSA-N 1 0 383.330 2.279 20 0 GEADRO C[NH+](C)[C@H](CNc1ncc(Br)cc1S(N)(=O)=O)c1ccccc1 ZINC000448228116 650014588 /nfs/dbraw/zinc/01/45/88/650014588.db2.gz DASQONSPCNSRSU-CYBMUJFWSA-N 1 0 399.314 2.206 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)CCc2cccc(F)c2Br)CC1 ZINC000448597930 650017703 /nfs/dbraw/zinc/01/77/03/650017703.db2.gz QOQWOSBERUTDBZ-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448688377 650019465 /nfs/dbraw/zinc/01/94/65/650019465.db2.gz BQVAIYMNRDPTHB-UHFFFAOYSA-N 1 0 395.301 2.333 20 0 GEADRO C[C@H](CNC(=O)c1cc2c(Br)cccc2cn1)N1CC[NH+](C)CC1 ZINC000448980532 650028189 /nfs/dbraw/zinc/02/81/89/650028189.db2.gz PYDFEBQOFRAQRH-CYBMUJFWSA-N 1 0 391.313 2.363 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000449084066 650031155 /nfs/dbraw/zinc/03/11/55/650031155.db2.gz FLSPGOLDQDZHCR-OLZOCXBDSA-N 1 0 385.302 2.479 20 0 GEADRO O=S1(=O)CCCN1CC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449136668 650032991 /nfs/dbraw/zinc/03/29/91/650032991.db2.gz VUSXZXCDQWGHNH-UHFFFAOYSA-N 1 0 391.306 2.459 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@@H](O)C(C)C ZINC000449151817 650032998 /nfs/dbraw/zinc/03/29/98/650032998.db2.gz BOMCFCZQMSCZKM-IUODEOHRSA-N 1 0 387.318 2.459 20 0 GEADRO Cc1cc(Br)c(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1Cl ZINC000449256235 650035990 /nfs/dbraw/zinc/03/59/90/650035990.db2.gz CLDYPUXQEVJMLU-UHFFFAOYSA-N 1 0 381.723 2.392 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000449286496 650037737 /nfs/dbraw/zinc/03/77/37/650037737.db2.gz HMEHFJWNLTXLFQ-KZULUSFZSA-N 1 0 397.313 2.309 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ncccc1O ZINC000449293478 650037776 /nfs/dbraw/zinc/03/77/76/650037776.db2.gz HTLJPIBRMZXLCX-LLVKDONJSA-N 1 0 394.269 2.353 20 0 GEADRO COCCN1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000449683875 650045318 /nfs/dbraw/zinc/04/53/18/650045318.db2.gz OGETZNHNXCZGRY-CABCVRRESA-N 1 0 389.309 2.050 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1c(C)cnn1C ZINC000449684552 650045330 /nfs/dbraw/zinc/04/53/30/650045330.db2.gz RZQJQIRVBNPIRK-ZDUSSCGKSA-N 1 0 382.302 2.440 20 0 GEADRO COC[C@](C)(O)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000449385691 650039314 /nfs/dbraw/zinc/03/93/14/650039314.db2.gz RBGCHNYICMEXQF-QGZVFWFLSA-N 1 0 387.318 2.163 20 0 GEADRO COc1cc(Br)c(CNC[C@@H]2CCC[N@@H+]2CCCO)cc1OC ZINC000449390477 650039940 /nfs/dbraw/zinc/03/99/40/650039940.db2.gz WGDLUNKUGQIPMR-AWEZNQCLSA-N 1 0 387.318 2.403 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)nn1 ZINC000449392140 650039946 /nfs/dbraw/zinc/03/99/46/650039946.db2.gz JCRXNSKNZCNNLB-ZDUSSCGKSA-N 1 0 382.249 2.484 20 0 GEADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000449393974 650039988 /nfs/dbraw/zinc/03/99/88/650039988.db2.gz NIHNKJKJXWQSPD-CQSZACIVSA-N 1 0 385.302 2.157 20 0 GEADRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H](O)C(F)F ZINC000449420155 650040288 /nfs/dbraw/zinc/04/02/88/650040288.db2.gz DRXUZJFPFCKIKV-HZPDHXFCSA-N 1 0 376.469 2.142 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000449440600 650041045 /nfs/dbraw/zinc/04/10/45/650041045.db2.gz CGMBCBNFHKJNLR-OLZOCXBDSA-N 1 0 375.922 2.283 20 0 GEADRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000449464353 650041668 /nfs/dbraw/zinc/04/16/68/650041668.db2.gz ZIIKKZAXKQCQPQ-WBMJQRKESA-N 1 0 381.274 2.171 20 0 GEADRO CO[C@@H]1C[N@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C[C@H]1O ZINC000449574351 650042942 /nfs/dbraw/zinc/04/29/42/650042942.db2.gz WNOHUNBMRFVNCZ-IAGOWNOFSA-N 1 0 380.286 2.443 20 0 GEADRO CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449596919 650043151 /nfs/dbraw/zinc/04/31/51/650043151.db2.gz CUQXJSWOAORVAU-XHDPSFHLSA-N 1 0 387.293 2.386 20 0 GEADRO COCCN1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)C1 ZINC000449596326 650043197 /nfs/dbraw/zinc/04/31/97/650043197.db2.gz AWIBKVFYYVNXCZ-SJORKVTESA-N 1 0 385.346 2.219 20 0 GEADRO COc1nccnc1C[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000449596335 650043202 /nfs/dbraw/zinc/04/32/02/650043202.db2.gz AXZWFYNSEVVZLX-CQSZACIVSA-N 1 0 380.286 2.497 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1Br ZINC000449605107 650043943 /nfs/dbraw/zinc/04/39/43/650043943.db2.gz YVZNAPJDJHZHNF-XJKSGUPXSA-N 1 0 399.329 2.256 20 0 GEADRO COc1nccnc1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C ZINC000449679317 650044952 /nfs/dbraw/zinc/04/49/52/650044952.db2.gz DIHVXJXZBQJTSQ-ZDUSSCGKSA-N 1 0 380.286 2.497 20 0 GEADRO C[C@H]1C[NH+](CC2CCN(C(=O)c3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000449824438 650052165 /nfs/dbraw/zinc/05/21/65/650052165.db2.gz DTCXRTKXKUSRDD-STQMWFEESA-N 1 0 399.333 2.144 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000449699389 650046386 /nfs/dbraw/zinc/04/63/86/650046386.db2.gz QLRCNTRPEUAHKW-IUODEOHRSA-N 1 0 394.313 2.306 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)COc1ccc(I)cc1 ZINC000449705081 650046665 /nfs/dbraw/zinc/04/66/65/650046665.db2.gz ZWYKJXUINVWXBL-ZDUSSCGKSA-N 1 0 388.249 2.174 20 0 GEADRO O=C1CC[C@@H]([NH+]2CCN(Cc3cccc(Br)c3F)CC2)CCN1 ZINC000449702550 650046745 /nfs/dbraw/zinc/04/67/45/650046745.db2.gz SHXWDQZTTCUGKV-CQSZACIVSA-N 1 0 384.293 2.375 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(Cc3cccc(Br)c3F)CC2)CCN1 ZINC000449702549 650046769 /nfs/dbraw/zinc/04/67/69/650046769.db2.gz SHXWDQZTTCUGKV-AWEZNQCLSA-N 1 0 384.293 2.375 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc(I)ccc1Cl ZINC000449705778 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GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000453214872 650207029 /nfs/dbraw/zinc/20/70/29/650207029.db2.gz IILKLDOOAQLNPG-MSOLQXFVSA-N 1 0 386.945 2.301 20 0 GEADRO COC1([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)CCOCC1 ZINC000453238321 650207222 /nfs/dbraw/zinc/20/72/22/650207222.db2.gz WEYYRIDCXWTQKQ-AWEZNQCLSA-N 1 0 390.933 2.100 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453247162 650207272 /nfs/dbraw/zinc/20/72/72/650207272.db2.gz HQBGHTCJRVHAIH-OAHLLOKOSA-N 1 0 375.332 2.251 20 0 GEADRO Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1 ZINC000453274694 650207534 /nfs/dbraw/zinc/20/75/34/650207534.db2.gz KZXDNIBRWBVFAR-PXAZEXFGSA-N 1 0 383.901 2.034 20 0 GEADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000453274638 650207562 /nfs/dbraw/zinc/20/75/62/650207562.db2.gz KODNBYHGXDPXTD-ACJLOTCBSA-N 1 0 380.535 2.243 20 0 GEADRO CSC[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000453277934 650207574 /nfs/dbraw/zinc/20/75/74/650207574.db2.gz ONCPQCZXZFCPME-KGLIPLIRSA-N 1 0 383.457 2.249 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000453278624 650207620 /nfs/dbraw/zinc/20/76/20/650207620.db2.gz PONFROJPVGPYBG-FIXISWKDSA-N 1 0 382.309 2.288 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000453606777 650210133 /nfs/dbraw/zinc/21/01/33/650210133.db2.gz REKQXYXOCSGNRV-UHFFFAOYSA-N 1 0 397.317 2.281 20 0 GEADRO Cc1cc(Br)c(C[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)s1 ZINC000453611550 650210583 /nfs/dbraw/zinc/21/05/83/650210583.db2.gz RMNJNXFFSQMHIA-JTQLQIEISA-N 1 0 383.315 2.467 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000453696354 650216886 /nfs/dbraw/zinc/21/68/86/650216886.db2.gz HTGWNEBKDGIFIY-JQWIXIFHSA-N 1 0 386.265 2.434 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000453740425 650221550 /nfs/dbraw/zinc/22/15/50/650221550.db2.gz CHZWSQKYHFDRLH-DOMZBBRYSA-N 1 0 395.301 2.176 20 0 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/nfs/dbraw/zinc/25/22/57/650252257.db2.gz FKZPBLRYLCYWBC-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000454102263 650253385 /nfs/dbraw/zinc/25/33/85/650253385.db2.gz PCNVSQOPIDSELI-ZDUSSCGKSA-N 1 0 398.301 2.337 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000454118206 650255276 /nfs/dbraw/zinc/25/52/76/650255276.db2.gz YGJRTNFDPQOFLJ-OAHLLOKOSA-N 1 0 394.313 2.279 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2nn(C)cc2Br)C1 ZINC000454322469 650263066 /nfs/dbraw/zinc/26/30/66/650263066.db2.gz OFUGNXHYJVPSKH-STQMWFEESA-N 1 0 386.338 2.350 20 0 GEADRO CC[N@H+](CCNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000454465381 650267253 /nfs/dbraw/zinc/26/72/53/650267253.db2.gz KJMBPLXIUYGJOZ-UHFFFAOYSA-N 1 0 387.933 2.287 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000454477846 650267807 /nfs/dbraw/zinc/26/78/07/650267807.db2.gz DHOUGLQQAXLZSS-IAQYHMDHSA-N 1 0 399.308 2.121 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000454495920 650268219 /nfs/dbraw/zinc/26/82/19/650268219.db2.gz YJVDSLVNHPEZNV-WBVHZDCISA-N 1 0 395.345 2.194 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000454576679 650271315 /nfs/dbraw/zinc/27/13/15/650271315.db2.gz LBEAPGWAOPVBRG-CYBMUJFWSA-N 1 0 384.322 2.246 20 0 GEADRO Cc1nc(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)sc1Br ZINC000454617203 650273137 /nfs/dbraw/zinc/27/31/37/650273137.db2.gz XEKFZVSYQKXCLH-ZDUSSCGKSA-N 1 0 393.376 2.451 20 0 GEADRO COc1ccc(Br)c(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000454670818 650275453 /nfs/dbraw/zinc/27/54/53/650275453.db2.gz XCZLJMONAWWISI-LBPRGKRZSA-N 1 0 386.290 2.426 20 0 GEADRO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(Br)c1 ZINC000454696771 650276526 /nfs/dbraw/zinc/27/65/26/650276526.db2.gz MQUNTYJNPQAMJH-LBPRGKRZSA-N 1 0 386.290 2.426 20 0 GEADRO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1Br ZINC000454771067 650278339 /nfs/dbraw/zinc/27/83/39/650278339.db2.gz DYDPFJDMECAQCJ-ZDUSSCGKSA-N 1 0 386.290 2.426 20 0 GEADRO C[N@H+](CCCCNC(=O)Nc1ccncc1I)C1CC1 ZINC000455084102 650290038 /nfs/dbraw/zinc/29/00/38/650290038.db2.gz SQXRGEIYNQMMFT-UHFFFAOYSA-N 1 0 388.253 2.104 20 0 GEADRO CCN(C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)[C@H](C)CS(=O)(=O)CC ZINC000455189907 650294318 /nfs/dbraw/zinc/29/43/18/650294318.db2.gz JYAPPTDKLSZELD-SJORKVTESA-N 1 0 375.579 2.352 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000455372138 650300954 /nfs/dbraw/zinc/30/09/54/650300954.db2.gz JFHGDZBIAMNSQX-CQSZACIVSA-N 1 0 392.301 2.256 20 0 GEADRO C[C@@H](CNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)[NH+](C)C ZINC000455427506 650304001 /nfs/dbraw/zinc/30/40/01/650304001.db2.gz FKRKYWROXWHMGL-LBPRGKRZSA-N 1 0 387.311 2.411 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H](c2nccs2)C(F)(F)F)CC1 ZINC000455655922 650311626 /nfs/dbraw/zinc/31/16/26/650311626.db2.gz LRXRXXWMOGSDPD-NEPJUHHUSA-N 1 0 380.436 2.139 20 0 GEADRO COc1cc(I)ccc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000455733710 650314736 /nfs/dbraw/zinc/31/47/36/650314736.db2.gz KDATWILSWFREJL-VIFPVBQESA-N 1 0 377.226 2.371 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455852053 650322010 /nfs/dbraw/zinc/32/20/10/650322010.db2.gz VOMLYQIWYFRAKS-RYUDHWBXSA-N 1 0 395.305 2.876 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(I)cn2)C1 ZINC000455854417 650322014 /nfs/dbraw/zinc/32/20/14/650322014.db2.gz DRYQAEKAMOMQKD-CYBMUJFWSA-N 1 0 399.276 2.490 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]34CCC(=O)N3c3cc(Cl)ccc3S4)C[C@@H]21 ZINC000456161038 650332348 /nfs/dbraw/zinc/33/23/48/650332348.db2.gz HOYLISJCIYDXGE-CDNVCLAFSA-N 1 0 377.897 2.431 20 0 GEADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000456388790 650339006 /nfs/dbraw/zinc/33/90/06/650339006.db2.gz UHDOYQDJHQBSNS-NSHDSACASA-N 1 0 396.285 2.336 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)C2CC[NH+](C)CC2)cc1Br ZINC000456510015 650345422 /nfs/dbraw/zinc/34/54/22/650345422.db2.gz YJRBVEMKIWSTDS-HNNXBMFYSA-N 1 0 383.330 2.367 20 0 GEADRO CC[C@H](C)[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000456521619 650346907 /nfs/dbraw/zinc/34/69/07/650346907.db2.gz CHJCCZSKQWVYHZ-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO CC(C)Oc1cc(Br)ccc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000456591659 650350485 /nfs/dbraw/zinc/35/04/85/650350485.db2.gz WTCCZSUOCCDAQE-UHFFFAOYSA-N 1 0 385.302 2.423 20 0 GEADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000456692423 650354729 /nfs/dbraw/zinc/35/47/29/650354729.db2.gz LPQPHPVJFSRPMF-UHFFFAOYSA-N 1 0 387.571 2.368 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC000456723369 650359350 /nfs/dbraw/zinc/35/93/50/650359350.db2.gz OAKXWQUAXDNHRA-ZDUSSCGKSA-N 1 0 399.329 2.067 20 0 GEADRO CCC[N@H+](C)CC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000456724856 650359611 /nfs/dbraw/zinc/35/96/11/650359611.db2.gz PKCDWJVFRGWRKZ-CYBMUJFWSA-N 1 0 387.318 2.067 20 0 GEADRO CCn1cc(Br)cc1C(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000456908225 650366781 /nfs/dbraw/zinc/36/67/81/650366781.db2.gz XBCNUJSDIYYZLQ-UHFFFAOYSA-N 1 0 385.350 2.416 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000500217210 650373012 /nfs/dbraw/zinc/37/30/12/650373012.db2.gz ROTVLGMTLFNCHP-LLVKDONJSA-N 1 0 382.555 2.060 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000500567409 650380424 /nfs/dbraw/zinc/38/04/24/650380424.db2.gz RFGOABMHTAJJGF-BXUZGUMPSA-N 1 0 379.295 2.396 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000500555296 650380496 /nfs/dbraw/zinc/38/04/96/650380496.db2.gz CLJBNMWRNZPDBE-PBHICJAKSA-N 1 0 382.917 2.333 20 0 GEADRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000500471982 650378729 /nfs/dbraw/zinc/37/87/29/650378729.db2.gz VNJLVXUXUJMQDG-HUUCEWRRSA-N 1 0 385.302 2.179 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000500494118 650379550 /nfs/dbraw/zinc/37/95/50/650379550.db2.gz ZMVXGWBVEVMMFF-ZFWWWQNUSA-N 1 0 388.917 2.309 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000500494499 650379621 /nfs/dbraw/zinc/37/96/21/650379621.db2.gz GNFGWKPNSZNIQX-UKRRQHHQSA-N 1 0 380.432 2.435 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457796276 650384868 /nfs/dbraw/zinc/38/48/68/650384868.db2.gz FEMRJQWPRFESLA-UHFFFAOYSA-N 1 0 398.305 2.093 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc(I)cc32)C(C)(C)C1 ZINC000501339665 650390002 /nfs/dbraw/zinc/39/00/02/650390002.db2.gz DHIBDIQFKHPBSC-UHFFFAOYSA-N 1 0 398.248 2.334 20 0 GEADRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000501543806 650394756 /nfs/dbraw/zinc/39/47/56/650394756.db2.gz AYADCBSRHFZSGE-BBRMVZONSA-N 1 0 396.329 2.415 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000502112085 650401135 /nfs/dbraw/zinc/40/11/35/650401135.db2.gz WRRQRWHNCZMRAP-HZPDHXFCSA-N 1 0 382.302 2.227 20 0 GEADRO CC[C@@H](C(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000458152159 650398198 /nfs/dbraw/zinc/39/81/98/650398198.db2.gz RAVMYUAQGYMDHZ-WFASDCNBSA-N 1 0 375.282 2.196 20 0 GEADRO C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)Oc1ccccc1Br ZINC000501961715 650399624 /nfs/dbraw/zinc/39/96/24/650399624.db2.gz FCPDTIKUKIRKTO-UONOGXRCSA-N 1 0 385.302 2.301 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000458716624 650409117 /nfs/dbraw/zinc/40/91/17/650409117.db2.gz SPQLVRKOTHMZAQ-UHFFFAOYSA-N 1 0 387.933 2.417 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc(F)cc3Br)[C@H]2C1 ZINC000502632161 650409177 /nfs/dbraw/zinc/40/91/77/650409177.db2.gz HAYKHADABLFTEP-JKSUJKDBSA-N 1 0 385.277 2.452 20 0 GEADRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000502457315 650406679 /nfs/dbraw/zinc/40/66/79/650406679.db2.gz WCDWLVYLXNTRHC-HOCLYGCPSA-N 1 0 388.555 2.064 20 0 GEADRO C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000458710993 650408843 /nfs/dbraw/zinc/40/88/43/650408843.db2.gz BBKUSWGWIQTCEX-AXFHLTTASA-N 1 0 380.436 2.319 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc(F)c(Br)c3)[C@H]2C1 ZINC000502694478 650410092 /nfs/dbraw/zinc/41/00/92/650410092.db2.gz NQWSDJYNVPSZNN-JKSUJKDBSA-N 1 0 385.277 2.452 20 0 GEADRO C[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000458847361 650411575 /nfs/dbraw/zinc/41/15/75/650411575.db2.gz KIQDGXLXXQYGOD-LLVKDONJSA-N 1 0 388.281 2.405 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c(Br)c2)C[C@H]1[NH+](C)C ZINC000503221413 650416387 /nfs/dbraw/zinc/41/63/87/650416387.db2.gz JRTNBAIHJXZAOQ-ZIAGYGMSSA-N 1 0 393.372 2.424 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1[NH+](C)C ZINC000503220957 650416391 /nfs/dbraw/zinc/41/63/91/650416391.db2.gz RNNNMRFPVJAPCF-GJZGRUSLSA-N 1 0 395.953 2.133 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1ccc(Br)cc1Cl ZINC000458883622 650413283 /nfs/dbraw/zinc/41/32/83/650413283.db2.gz LXKSGRKITRVGQU-HNNXBMFYSA-N 1 0 392.725 2.257 20 0 GEADRO CC[N@H+](CCC1CCN(Cc2nnc(S(C)(=O)=O)s2)CC1)CC1CC1 ZINC000503185206 650414977 /nfs/dbraw/zinc/41/49/77/650414977.db2.gz PVHHYFUVISZDSL-UHFFFAOYSA-N 1 0 386.587 2.276 20 0 GEADRO CC(=O)NCC[N@@H+](CCC(=O)NC(C)C)Cc1ccc(Br)s1 ZINC000503187206 650414991 /nfs/dbraw/zinc/41/49/91/650414991.db2.gz BADAQTDQOSGSQL-UHFFFAOYSA-N 1 0 390.347 2.363 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2sc(C)cc2Br)C[C@@H]1[NH+](C)C ZINC000503207987 650415714 /nfs/dbraw/zinc/41/57/14/650415714.db2.gz MRSSKLXBCLLAAS-WDEREUQCSA-N 1 0 399.401 2.485 20 0 GEADRO CS[C@H]1CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000503775058 650422198 /nfs/dbraw/zinc/42/21/98/650422198.db2.gz PRDGKFIMHHOHSU-GJZGRUSLSA-N 1 0 383.583 2.429 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000459033470 650417515 /nfs/dbraw/zinc/41/75/15/650417515.db2.gz UYBHGZISNRDNJD-CYBMUJFWSA-N 1 0 384.322 2.343 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)NCc2nn(C)cc2Br)CC1 ZINC000459031155 650417564 /nfs/dbraw/zinc/41/75/64/650417564.db2.gz SPHGIVIMOBLUKD-UHFFFAOYSA-N 1 0 386.338 2.446 20 0 GEADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000503447260 650417648 /nfs/dbraw/zinc/41/76/48/650417648.db2.gz PETWMZHIFWRIQZ-OCCSQVGLSA-N 1 0 391.946 2.190 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000503503680 650418642 /nfs/dbraw/zinc/41/86/42/650418642.db2.gz HYGDINKAYOEHGN-ZJUUUORDSA-N 1 0 395.294 2.358 20 0 GEADRO CCOc1cc(C[NH2+][C@@H](C)CCS(C)(=O)=O)cc(Br)c1O ZINC000459433886 650424266 /nfs/dbraw/zinc/42/42/66/650424266.db2.gz BTRPAXRXILFXQR-JTQLQIEISA-N 1 0 380.304 2.466 20 0 GEADRO C[C@@H]1NC(=O)N(CC[N@H+](C)[C@H]2CCOc3ccc(Br)cc32)C1=O ZINC000459448882 650424962 /nfs/dbraw/zinc/42/49/62/650424962.db2.gz SSVPCCVNOCZROO-GWCFXTLKSA-N 1 0 382.258 2.145 20 0 GEADRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc(Cl)c1O ZINC000459485297 650425843 /nfs/dbraw/zinc/42/58/43/650425843.db2.gz UWQSULACOAKZGT-ZIAGYGMSSA-N 1 0 376.906 2.394 20 0 GEADRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc(Cl)c1O ZINC000459485295 650425854 /nfs/dbraw/zinc/42/58/54/650425854.db2.gz UWQSULACOAKZGT-KGLIPLIRSA-N 1 0 376.906 2.394 20 0 GEADRO CCOc1cc(C[NH2+][C@]2(CC(=O)OC)CCOC2)cc(Br)c1O ZINC000459483101 650425868 /nfs/dbraw/zinc/42/58/68/650425868.db2.gz RPSUWEBOCVIBOZ-INIZCTEOSA-N 1 0 388.258 2.365 20 0 GEADRO C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000459489989 650426289 /nfs/dbraw/zinc/42/62/89/650426289.db2.gz RKVHPCWIYCYKHM-TZMCWYRMSA-N 1 0 380.286 2.254 20 0 GEADRO O=C(CCC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)c1ccc(Br)cc1 ZINC000459505453 650426586 /nfs/dbraw/zinc/42/65/86/650426586.db2.gz OLGWDZRJCWXGKW-HOCLYGCPSA-N 1 0 381.270 2.001 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000504062697 650426674 /nfs/dbraw/zinc/42/66/74/650426674.db2.gz LQYDRJGAOLKLHM-OAGGEKHMSA-N 1 0 382.302 2.409 20 0 GEADRO CN(C)CC(C)(C)[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000459530041 650427495 /nfs/dbraw/zinc/42/74/95/650427495.db2.gz AYLCWZVSJFBZLO-UHFFFAOYSA-N 1 0 386.334 2.216 20 0 GEADRO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000459530033 650427516 /nfs/dbraw/zinc/42/75/16/650427516.db2.gz AWTRZOKSAVWALQ-HUUCEWRRSA-N 1 0 379.448 2.327 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000504138966 650427820 /nfs/dbraw/zinc/42/78/20/650427820.db2.gz PJEWKMPNFQHSII-CYBMUJFWSA-N 1 0 398.345 2.432 20 0 GEADRO Brc1csc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000459713693 650430916 /nfs/dbraw/zinc/43/09/16/650430916.db2.gz OKQMGCUWBKHJCX-UHFFFAOYSA-N 1 0 375.332 2.482 20 0 GEADRO COCCN1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)C1 ZINC000459716771 650431256 /nfs/dbraw/zinc/43/12/56/650431256.db2.gz ZZWVYWDNJZXCHF-PBHICJAKSA-N 1 0 389.309 2.050 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000505072329 650434486 /nfs/dbraw/zinc/43/44/86/650434486.db2.gz VMBDLLXQEKTWHY-NSHDSACASA-N 1 0 391.256 2.185 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)N(C)CC[NH+](C)C)Oc1ccc(Cl)c(Cl)c1 ZINC000459892209 650434983 /nfs/dbraw/zinc/43/49/83/650434983.db2.gz CYTQCRAGZKKRJR-LBPRGKRZSA-N 1 0 390.311 2.239 20 0 GEADRO O=S(=O)(c1cccc2nsnc21)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000506084954 650443173 /nfs/dbraw/zinc/44/31/73/650443173.db2.gz DTIIKCNEBMJUOS-CQSZACIVSA-N 1 0 378.523 2.354 20 0 GEADRO Cc1ccc(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000460854061 650446937 /nfs/dbraw/zinc/44/69/37/650446937.db2.gz GZFRZNIHIIMXKG-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000506591119 650446940 /nfs/dbraw/zinc/44/69/40/650446940.db2.gz FVLBMIQAZRNSJC-UHFFFAOYSA-N 1 0 398.301 2.196 20 0 GEADRO C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000461339714 650452221 /nfs/dbraw/zinc/45/22/21/650452221.db2.gz BHISMAZVFBPXFV-SNVBAGLBSA-N 1 0 386.461 2.233 20 0 GEADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000507517157 650462107 /nfs/dbraw/zinc/46/21/07/650462107.db2.gz XSRVSOLGMQBIMM-IRXDYDNUSA-N 1 0 375.579 2.078 20 0 GEADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000462040372 650464821 /nfs/dbraw/zinc/46/48/21/650464821.db2.gz RFWCRMFLIJDSBC-ZFWWWQNUSA-N 1 0 396.329 2.256 20 0 GEADRO CC[NH+]1CCN(CC(=O)NCCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000462063318 650465847 /nfs/dbraw/zinc/46/58/47/650465847.db2.gz RHODJOJNCRBJJT-UHFFFAOYSA-N 1 0 378.567 2.476 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462395056 650477881 /nfs/dbraw/zinc/47/78/81/650477881.db2.gz GCRKGRJYUOQQEY-CYBMUJFWSA-N 1 0 381.242 2.101 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cs1 ZINC000462470737 650480928 /nfs/dbraw/zinc/48/09/28/650480928.db2.gz FYIXQTNQQDDNIB-AWEZNQCLSA-N 1 0 386.470 2.255 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000462502330 650482327 /nfs/dbraw/zinc/48/23/27/650482327.db2.gz OJBSBGVPJHEKTP-MWLCHTKSSA-N 1 0 377.869 2.199 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(CCOc2ccccc2Br)CC1 ZINC000508896468 650484233 /nfs/dbraw/zinc/48/42/33/650484233.db2.gz ZBWXTBBDUDIIJY-UHFFFAOYSA-N 1 0 398.345 2.314 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)cc1Br ZINC000508995949 650485735 /nfs/dbraw/zinc/48/57/35/650485735.db2.gz ICKDPRNAMMAHHY-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO CSc1cccc(S(=O)(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000509201432 650489595 /nfs/dbraw/zinc/48/95/95/650489595.db2.gz DRQQDATWPUTIIX-HNNXBMFYSA-N 1 0 383.583 2.198 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2sc(S(N)(=O)=O)cc2C)c1 ZINC000509251041 650491615 /nfs/dbraw/zinc/49/16/15/650491615.db2.gz KLPXIAINCZRVSK-UHFFFAOYSA-N 1 0 381.523 2.086 20 0 GEADRO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(Br)cc1OCCCO ZINC000463359660 650494006 /nfs/dbraw/zinc/49/40/06/650494006.db2.gz GVROTBVZXGJXML-CYBMUJFWSA-N 1 0 385.302 2.483 20 0 GEADRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)c1 ZINC000509534921 650495502 /nfs/dbraw/zinc/49/55/02/650495502.db2.gz ZRPPQHAAKXVELK-UHFFFAOYSA-N 1 0 376.507 2.347 20 0 GEADRO CC[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)Cc1cccc(Br)c1 ZINC000509682375 650498943 /nfs/dbraw/zinc/49/89/43/650498943.db2.gz OBUVKBWDLGQXBT-DYVFJYSZSA-N 1 0 398.345 2.234 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467087588 650502355 /nfs/dbraw/zinc/50/23/55/650502355.db2.gz ZSHDMIVCGMHHIB-ZUZCIYMTSA-N 1 0 380.286 2.295 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467095755 650502647 /nfs/dbraw/zinc/50/26/47/650502647.db2.gz VLKFCQWXRAXPQO-NHYWBVRUSA-N 1 0 380.286 2.295 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnnn1CC[NH+](C)C ZINC000510069640 650506109 /nfs/dbraw/zinc/50/61/09/650506109.db2.gz DJZMRTYQHSXFKK-JTQLQIEISA-N 1 0 384.893 2.016 20 0 GEADRO Nc1cc(Br)ccc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000470278665 650512440 /nfs/dbraw/zinc/51/24/40/650512440.db2.gz HCODIQCCXRLJLX-UHFFFAOYSA-N 1 0 382.302 2.406 20 0 GEADRO CCOc1ccc(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1Br ZINC000470613606 650514368 /nfs/dbraw/zinc/51/43/68/650514368.db2.gz RFBBHHFIUHGGTP-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc(C[S@@](C)=O)cc2)cc1 ZINC000510655994 650516065 /nfs/dbraw/zinc/51/60/65/650516065.db2.gz CUFGDRZDBSWFLF-XMMPIXPASA-N 1 0 380.535 2.105 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000510767308 650518584 /nfs/dbraw/zinc/51/85/84/650518584.db2.gz RMGISZYRPBZPMD-CHWSQXEVSA-N 1 0 384.527 2.181 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000510767309 650518640 /nfs/dbraw/zinc/51/86/40/650518640.db2.gz RMGISZYRPBZPMD-OLZOCXBDSA-N 1 0 384.527 2.181 20 0 GEADRO C[NH+](C)CCN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000470976921 650517664 /nfs/dbraw/zinc/51/76/64/650517664.db2.gz SISUVIRXEHCGOZ-MRXNPFEDSA-N 1 0 394.313 2.355 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000470975093 650517681 /nfs/dbraw/zinc/51/76/81/650517681.db2.gz MLUUBRDEAWLVHY-CQSZACIVSA-N 1 0 381.318 2.446 20 0 GEADRO C[C@H](CCNC(=O)c1ccc(S(N)(=O)=O)s1)[N@H+](C)Cc1ccccc1 ZINC000472044856 650518717 /nfs/dbraw/zinc/51/87/17/650518717.db2.gz PARBFDOJZXMNHQ-CYBMUJFWSA-N 1 0 381.523 2.036 20 0 GEADRO C[NH+](C)C1(CNC(=O)COc2ccc(I)cc2)CCC1 ZINC000474098148 650527170 /nfs/dbraw/zinc/52/71/70/650527170.db2.gz MRKOOLXFYVPPTH-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000474120812 650528564 /nfs/dbraw/zinc/52/85/64/650528564.db2.gz VDFAJPLJEAXZSX-FZMZJTMJSA-N 1 0 393.290 2.389 20 0 GEADRO COc1ccc(C[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)c(Br)c1 ZINC000512023168 650543934 /nfs/dbraw/zinc/54/39/34/650543934.db2.gz JSYYSKDTSUTTBO-INIZCTEOSA-N 1 0 385.302 2.431 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000476502643 650551903 /nfs/dbraw/zinc/55/19/03/650551903.db2.gz FLFIMABPXDPHHD-RYUDHWBXSA-N 1 0 397.335 2.254 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2scnc2C2CC2)c1 ZINC000512615332 650551518 /nfs/dbraw/zinc/55/15/18/650551518.db2.gz WMQVQZGCMRLXAZ-UHFFFAOYSA-N 1 0 380.539 2.473 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512364969 650546757 /nfs/dbraw/zinc/54/67/57/650546757.db2.gz PKRITBCHFHYJQI-ZFWWWQNUSA-N 1 0 385.302 2.179 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512395553 650547427 /nfs/dbraw/zinc/54/74/27/650547427.db2.gz XDCVNPXCYHDIQE-KGLIPLIRSA-N 1 0 385.302 2.179 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2csc(C3CC3)n2)c1 ZINC000512657716 650552302 /nfs/dbraw/zinc/55/23/02/650552302.db2.gz HNKXJAKSXXMFOK-UHFFFAOYSA-N 1 0 380.539 2.473 20 0 GEADRO C[C@H]1CN(C(=O)c2ncccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000476535588 650553074 /nfs/dbraw/zinc/55/30/74/650553074.db2.gz DWHVOWKUJYGJLY-ZDUSSCGKSA-N 1 0 381.318 2.085 20 0 GEADRO C[C@@H]1CSCCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512734428 650553326 /nfs/dbraw/zinc/55/33/26/650553326.db2.gz KNPUGGGZWUIKFX-FMKPAKJESA-N 1 0 381.567 2.211 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2I)C1 ZINC000476549795 650553636 /nfs/dbraw/zinc/55/36/36/650553636.db2.gz QYGRYPNRPIWQHY-LBPRGKRZSA-N 1 0 388.249 2.050 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)s1 ZINC000476566665 650554188 /nfs/dbraw/zinc/55/41/88/650554188.db2.gz FYJVRFVQHRXNLL-LBPRGKRZSA-N 1 0 390.527 2.086 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000512860610 650555425 /nfs/dbraw/zinc/55/54/25/650555425.db2.gz JXDLJUMSRRBQRP-HIFRSBDPSA-N 1 0 388.917 2.309 20 0 GEADRO CSc1nsc(NC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)n1 ZINC000476626789 650556123 /nfs/dbraw/zinc/55/61/23/650556123.db2.gz FQMLCFVVWPXFPU-NSHDSACASA-N 1 0 383.499 2.205 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)ccc1OC(F)F ZINC000513012961 650556153 /nfs/dbraw/zinc/55/61/53/650556153.db2.gz VCHJFWUOSFHRDV-CYBMUJFWSA-N 1 0 378.441 2.200 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc(Cl)c1OC ZINC000513007907 650556381 /nfs/dbraw/zinc/55/63/81/650556381.db2.gz YHKNOFQKPRPNAR-ZDUSSCGKSA-N 1 0 376.906 2.261 20 0 GEADRO COC(=O)C[C@](C)([NH2+]C[C@H](O)Cn1cccn1)c1ccc(Br)cc1 ZINC000513166569 650559275 /nfs/dbraw/zinc/55/92/75/650559275.db2.gz MJGHCOHYIOKBBZ-RDJZCZTQSA-N 1 0 396.285 2.075 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000476870349 650561830 /nfs/dbraw/zinc/56/18/30/650561830.db2.gz UTCLFUONXGVVDJ-HNNXBMFYSA-N 1 0 385.339 2.326 20 0 GEADRO COC(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000513463091 650563475 /nfs/dbraw/zinc/56/34/75/650563475.db2.gz ZYZTYSPYKACAAA-CMPLNLGQSA-N 1 0 392.677 2.337 20 0 GEADRO CN1CCN(C(=O)CC[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC1 ZINC000513884877 650570799 /nfs/dbraw/zinc/57/07/99/650570799.db2.gz GSNICPRZNFBJNV-FUHWJXTLSA-N 1 0 386.323 2.047 20 0 GEADRO C[N@H+](CCOc1ccc(Br)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513965622 650572272 /nfs/dbraw/zinc/57/22/72/650572272.db2.gz BZFQJWTZAJTAIH-CYBMUJFWSA-N 1 0 391.331 2.041 20 0 GEADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000514100726 650573567 /nfs/dbraw/zinc/57/35/67/650573567.db2.gz AUICOTUVSMHCIE-BBRMVZONSA-N 1 0 375.922 2.154 20 0 GEADRO CC[NH+]1CCC(NC(=O)NCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000514150153 650573933 /nfs/dbraw/zinc/57/39/33/650573933.db2.gz YARBSVGTLCBAEO-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO O=c1cc(C[N@H+]2CC[C@H](O)C23CCCC3)nc2ccc(Br)cn12 ZINC000514648148 650575831 /nfs/dbraw/zinc/57/58/31/650575831.db2.gz UCZIZHILMJJFHK-AWEZNQCLSA-N 1 0 378.270 2.336 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1Cl ZINC000514672600 650576278 /nfs/dbraw/zinc/57/62/78/650576278.db2.gz UUOQJZCWUZXKQU-QWRGUYRKSA-N 1 0 397.324 2.390 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2OC)CC1 ZINC000514734589 650578209 /nfs/dbraw/zinc/57/82/09/650578209.db2.gz IENJKIIOWSMMBQ-UHFFFAOYSA-N 1 0 395.294 2.359 20 0 GEADRO O=c1c(Br)cn(Cc2ccccc2)c(=O)n1CCC1CC[NH2+]CC1 ZINC000514788281 650578962 /nfs/dbraw/zinc/57/89/62/650578962.db2.gz GELHXSIOEYCTBE-UHFFFAOYSA-N 1 0 392.297 2.211 20 0 GEADRO COc1cc(CN2CCO[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000478053019 650581998 /nfs/dbraw/zinc/58/19/98/650581998.db2.gz JRWCLAKDKXWUCJ-JTQLQIEISA-N 1 0 381.217 2.219 20 0 GEADRO C[N@H+](CC(=O)N[C@H](CO)c1ccccc1OC(F)(F)F)[C@H]1CCSC1 ZINC000478138449 650583385 /nfs/dbraw/zinc/58/33/85/650583385.db2.gz CHFZRYYTCBJYSJ-WCQYABFASA-N 1 0 378.416 2.172 20 0 GEADRO CS(=O)(=O)CCCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000514932751 650583603 /nfs/dbraw/zinc/58/36/03/650583603.db2.gz MDQWHFMCAYUPBH-UHFFFAOYSA-N 1 0 377.304 2.192 20 0 GEADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cccc(O)c2Br)NC(=O)NC1=O ZINC000515042841 650585627 /nfs/dbraw/zinc/58/56/27/650585627.db2.gz YNRDWYRIGQUARW-BZNIZROVSA-N 1 0 382.258 2.107 20 0 GEADRO OCCOC1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000515237714 650590368 /nfs/dbraw/zinc/59/03/68/650590368.db2.gz DKVMRVPFIPVVEX-HNNXBMFYSA-N 1 0 384.314 2.454 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)CSCc2ccc(Br)cc2F)CCO1 ZINC000478724749 650590697 /nfs/dbraw/zinc/59/06/97/650590697.db2.gz NJYSIIDECHLCDD-LBPRGKRZSA-N 1 0 377.279 2.008 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479064744 650595441 /nfs/dbraw/zinc/59/54/41/650595441.db2.gz QUUVZRXMHLYMGP-KOLCDFICSA-N 1 0 397.324 2.079 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479093857 650596168 /nfs/dbraw/zinc/59/61/68/650596168.db2.gz HVGGJULVVLVRJL-STQMWFEESA-N 1 0 384.307 2.347 20 0 GEADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000516685480 650600528 /nfs/dbraw/zinc/60/05/28/650600528.db2.gz WDJYESNQKRNULP-UHFFFAOYSA-N 1 0 394.313 2.186 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000479319045 650601310 /nfs/dbraw/zinc/60/13/10/650601310.db2.gz LYUIHBMHRKQDHG-MRXNPFEDSA-N 1 0 382.302 2.238 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCn1cc(Br)ccc1=O ZINC000479580098 650606866 /nfs/dbraw/zinc/60/68/66/650606866.db2.gz HBQKPXDPXXJLPD-ZDUSSCGKSA-N 1 0 384.318 2.190 20 0 GEADRO COc1c(Br)cccc1C[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000479557212 650606465 /nfs/dbraw/zinc/60/64/65/650606465.db2.gz SRYSFXWSLVKQBL-MRXNPFEDSA-N 1 0 398.345 2.490 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000518795912 650607862 /nfs/dbraw/zinc/60/78/62/650607862.db2.gz JMTLKOZHDZRGGQ-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480175861 650616853 /nfs/dbraw/zinc/61/68/53/650616853.db2.gz CUIIPQNYABDIOR-TVYUQYBPSA-N 1 0 394.356 2.370 20 0 GEADRO COCCOC[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172764 650616931 /nfs/dbraw/zinc/61/69/31/650616931.db2.gz UWEBUCZELPGDED-SMDDNHRTSA-N 1 0 392.315 2.309 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)C[C@H]3COCCN3)C2=O)ccc1Br ZINC000521423708 650617238 /nfs/dbraw/zinc/61/72/38/650617238.db2.gz IPZTWPKFRXVEMI-ZQIUZPCESA-N 1 0 396.329 2.219 20 0 GEADRO COCCOCCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480331603 650619841 /nfs/dbraw/zinc/61/98/41/650619841.db2.gz JCUYLLYDUCLMSW-AWEZNQCLSA-N 1 0 392.315 2.310 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000521993739 650621450 /nfs/dbraw/zinc/62/14/50/650621450.db2.gz UDUUCZVDDLUPIO-UHFFFAOYSA-N 1 0 388.212 2.020 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000522270723 650624628 /nfs/dbraw/zinc/62/46/28/650624628.db2.gz UYIKBMOJZYULJO-UHFFFAOYSA-N 1 0 382.346 2.433 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000522446126 650625187 /nfs/dbraw/zinc/62/51/87/650625187.db2.gz JPCGAKSEAJLZJZ-GFCCVEGCSA-N 1 0 398.301 2.135 20 0 GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cccc(I)c1 ZINC000480694924 650628425 /nfs/dbraw/zinc/62/84/25/650628425.db2.gz CCOQZLZQIOSNCH-NSHDSACASA-N 1 0 396.294 2.300 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Br)cn2)C1 ZINC000522893247 650629076 /nfs/dbraw/zinc/62/90/76/650629076.db2.gz DWFISWCAQVJMFC-CHWSQXEVSA-N 1 0 390.347 2.490 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000480734911 650630013 /nfs/dbraw/zinc/63/00/13/650630013.db2.gz FALBRDRSDFELKM-PBHICJAKSA-N 1 0 380.330 2.276 20 0 GEADRO CC[N@H+](CCNC(=O)CNC(=O)c1ccc(Br)s1)C(C)C ZINC000522608745 650626287 /nfs/dbraw/zinc/62/62/87/650626287.db2.gz PCTHZGNFYQSXIL-UHFFFAOYSA-N 1 0 376.320 2.087 20 0 GEADRO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(Br)c1 ZINC000480862200 650635154 /nfs/dbraw/zinc/63/51/54/650635154.db2.gz CEDHZDGSIHGRHM-UHFFFAOYSA-N 1 0 379.320 2.418 20 0 GEADRO COc1ccc(Cl)cc1CS(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000481346541 650644624 /nfs/dbraw/zinc/64/46/24/650644624.db2.gz WSCKQGLDRDXAJD-OAHLLOKOSA-N 1 0 378.947 2.205 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000524774752 650646340 /nfs/dbraw/zinc/64/63/40/650646340.db2.gz AKZIFBQKJMAYDU-LBPRGKRZSA-N 1 0 378.523 2.457 20 0 GEADRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000481421420 650646320 /nfs/dbraw/zinc/64/63/20/650646320.db2.gz CRKPUWPIIRRIEM-RNCFNFMXSA-N 1 0 381.782 2.394 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000524905808 650648451 /nfs/dbraw/zinc/64/84/51/650648451.db2.gz GPSNWTSLIBKSIB-UHFFFAOYSA-N 1 0 386.905 2.414 20 0 GEADRO CCOC(=O)CN(C)C(=O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000524971417 650648984 /nfs/dbraw/zinc/64/89/84/650648984.db2.gz LXUYRJIVOJFYLH-UHFFFAOYSA-N 1 0 397.313 2.434 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000525247163 650652403 /nfs/dbraw/zinc/65/24/03/650652403.db2.gz OSKNURIKGWQQCZ-MRXNPFEDSA-N 1 0 390.933 2.317 20 0 GEADRO OC[C@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCOC1 ZINC000481819173 650653956 /nfs/dbraw/zinc/65/39/56/650653956.db2.gz WCUZNBNIQCWLQJ-GJZGRUSLSA-N 1 0 380.286 2.369 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000481849204 650654698 /nfs/dbraw/zinc/65/46/98/650654698.db2.gz VJXXMFZOHVVVJN-INIZCTEOSA-N 1 0 382.346 2.476 20 0 GEADRO CC[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481927879 650656609 /nfs/dbraw/zinc/65/66/09/650656609.db2.gz SMPPCBXHBHASMA-XJKSGUPXSA-N 1 0 389.949 2.010 20 0 GEADRO CSc1nnc(CNC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)s1 ZINC000527093233 650669240 /nfs/dbraw/zinc/66/92/40/650669240.db2.gz HRJHHTGJYOKNII-UHFFFAOYSA-N 1 0 381.531 2.353 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000527165631 650670118 /nfs/dbraw/zinc/67/01/18/650670118.db2.gz IEBQPFMWCRRTSC-CYBMUJFWSA-N 1 0 395.301 2.412 20 0 GEADRO COc1cc(C[NH2+]CCc2cnccn2)cc(I)c1OC ZINC000527237498 650672015 /nfs/dbraw/zinc/67/20/15/650672015.db2.gz CXWZFUYVXCDGPO-UHFFFAOYSA-N 1 0 399.232 2.431 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000527483950 650676532 /nfs/dbraw/zinc/67/65/32/650676532.db2.gz KEYCBOQCPKABHH-CHWSQXEVSA-N 1 0 395.472 2.301 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000483444681 650678514 /nfs/dbraw/zinc/67/85/14/650678514.db2.gz XAZBTPHPDPJYMD-CVEARBPZSA-N 1 0 387.571 2.061 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000483486037 650679147 /nfs/dbraw/zinc/67/91/47/650679147.db2.gz DPXAJZAYIZMKDF-QGZVFWFLSA-N 1 0 396.329 2.066 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCSC1 ZINC000483964363 650683628 /nfs/dbraw/zinc/68/36/28/650683628.db2.gz VFXNHDZIRPIFDF-HNNXBMFYSA-N 1 0 376.309 2.485 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000528361074 650690993 /nfs/dbraw/zinc/69/09/93/650690993.db2.gz SPRREQDJRWSDCF-UHFFFAOYSA-N 1 0 380.388 2.134 20 0 GEADRO CCO[C@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000484647633 650688423 /nfs/dbraw/zinc/68/84/23/650688423.db2.gz KAGDVZJEPCSEDB-GJZGRUSLSA-N 1 0 392.315 2.006 20 0 GEADRO CS[C@@H]1CN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H]1[NH+]1CCCC1 ZINC000484644072 650688541 /nfs/dbraw/zinc/68/85/41/650688541.db2.gz UIHFTKSEOHTWLI-RBSFLKMASA-N 1 0 379.492 2.299 20 0 GEADRO C[N@H+](CCNC(=O)NCCCn1cc(Br)cn1)Cc1ccccc1 ZINC000484644992 650688552 /nfs/dbraw/zinc/68/85/52/650688552.db2.gz QUQYLTXCROYZTD-UHFFFAOYSA-N 1 0 394.317 2.467 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)C1CCS(=O)(=O)CC1 ZINC000527991301 650684016 /nfs/dbraw/zinc/68/40/16/650684016.db2.gz SNHGUTOBIBVDMU-XHDPSFHLSA-N 1 0 388.892 2.387 20 0 GEADRO CC(C)[C@H]1CN(c2ncc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000528125028 650685715 /nfs/dbraw/zinc/68/57/15/650685715.db2.gz HBVQLEUTSHMLFW-OAHLLOKOSA-N 1 0 380.539 2.137 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)c1Br ZINC000528686906 650697842 /nfs/dbraw/zinc/69/78/42/650697842.db2.gz AJCFUMCAKMBSIX-CYBMUJFWSA-N 1 0 383.290 2.270 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000528688403 650697940 /nfs/dbraw/zinc/69/79/40/650697940.db2.gz NUYAQJAOSUMHRI-ZDUSSCGKSA-N 1 0 393.289 2.492 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000485082075 650693025 /nfs/dbraw/zinc/69/30/25/650693025.db2.gz WHOLXFVNNIYGHE-LLVKDONJSA-N 1 0 380.901 2.119 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000528693022 650698090 /nfs/dbraw/zinc/69/80/90/650698090.db2.gz XTGPAZAXLXGXBO-GFCCVEGCSA-N 1 0 384.267 2.348 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000528450682 650694066 /nfs/dbraw/zinc/69/40/66/650694066.db2.gz JHAXSZYVYQYMSZ-CQSZACIVSA-N 1 0 376.404 2.027 20 0 GEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3C[C@]3(C)Br)cc2)CC1 ZINC000528701004 650698273 /nfs/dbraw/zinc/69/82/73/650698273.db2.gz IHGOITUWCZKVNW-AEFFLSMTSA-N 1 0 396.329 2.425 20 0 GEADRO CN(C)C[C@@H](NS(=O)(=O)c1ccn(C)n1)c1ccc(Cl)c(Cl)c1 ZINC000528552208 650696402 /nfs/dbraw/zinc/69/64/02/650696402.db2.gz YXYFVCMWRPNCIV-CYBMUJFWSA-N 1 0 377.297 2.308 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc2c(cc1Cl)OCCO2 ZINC000528552944 650696424 /nfs/dbraw/zinc/69/64/24/650696424.db2.gz PRGWPLJJMTZKDR-CYBMUJFWSA-N 1 0 386.901 2.406 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000485719469 650699395 /nfs/dbraw/zinc/69/93/95/650699395.db2.gz MMZUOXMGLMYQPZ-HUUCEWRRSA-N 1 0 384.274 2.007 20 0 GEADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000485724608 650699431 /nfs/dbraw/zinc/69/94/31/650699431.db2.gz ZMDYIQGNCYXDQZ-HIFRSBDPSA-N 1 0 388.258 2.088 20 0 GEADRO O=C(CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Nc1cc(Cl)ccc1Cl ZINC000485783964 650700281 /nfs/dbraw/zinc/70/02/81/650700281.db2.gz LHAZMVXYXIHCHM-SECBINFHSA-N 1 0 382.251 2.162 20 0 GEADRO C[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Oc1ccc(Br)cc1 ZINC000485791474 650700356 /nfs/dbraw/zinc/70/03/56/650700356.db2.gz HVTDGNAUPMSBNI-NWDGAFQWSA-N 1 0 393.285 2.446 20 0 GEADRO CC[C@@H]([NH2+][C@H](C)C(=O)NCC(=O)OC)c1cc(F)cc(Br)c1 ZINC000485804205 650700913 /nfs/dbraw/zinc/70/09/13/650700913.db2.gz GUXOTLKCMZKNRI-NOZJJQNGSA-N 1 0 375.238 2.307 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Br)c(F)c1F ZINC000529056389 650701084 /nfs/dbraw/zinc/70/10/84/650701084.db2.gz SQHSLHOTRASXMP-NSHDSACASA-N 1 0 390.272 2.483 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000529299345 650702471 /nfs/dbraw/zinc/70/24/71/650702471.db2.gz MSBRARLHMNKXFD-AWEZNQCLSA-N 1 0 398.301 2.360 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529323014 650702721 /nfs/dbraw/zinc/70/27/21/650702721.db2.gz CFLBNBXXXZYINE-ABAIWWIYSA-N 1 0 382.302 2.360 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000529324229 650702861 /nfs/dbraw/zinc/70/28/61/650702861.db2.gz XRJODVRNERITLG-HUUCEWRRSA-N 1 0 386.265 2.327 20 0 GEADRO C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1cc(F)c(Br)cc1F ZINC000529347912 650703245 /nfs/dbraw/zinc/70/32/45/650703245.db2.gz FESDWXRMPMFQLA-UWVGGRQHSA-N 1 0 391.260 2.073 20 0 GEADRO C[N@H+]1C[C@H]2CN(c3ncnc4cccc(I)c43)C[C@H]2C1 ZINC000486034757 650705901 /nfs/dbraw/zinc/70/59/01/650705901.db2.gz IAKVWOYTXJHLFY-PHIMTYICSA-N 1 0 380.233 2.232 20 0 GEADRO C[N@H+](CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCSC1 ZINC000485969300 650703983 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GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cncc(I)c1 ZINC000530025098 650710543 /nfs/dbraw/zinc/71/05/43/650710543.db2.gz YNCJWDJJAYUHIU-CQSZACIVSA-N 1 0 385.249 2.433 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000486397977 650713031 /nfs/dbraw/zinc/71/30/31/650713031.db2.gz BRUKSZUOGRAOQF-LBPRGKRZSA-N 1 0 380.286 2.357 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000486408512 650713180 /nfs/dbraw/zinc/71/31/80/650713180.db2.gz PWVQETPCFFNHRG-UHFFFAOYSA-N 1 0 382.302 2.496 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000486641355 650717604 /nfs/dbraw/zinc/71/76/04/650717604.db2.gz BJNHWWKUCUGWDP-IUODEOHRSA-N 1 0 378.416 2.342 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000486641356 650717639 /nfs/dbraw/zinc/71/76/39/650717639.db2.gz BJNHWWKUCUGWDP-SWLSCSKDSA-N 1 0 378.416 2.342 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000486669566 650718597 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C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000530383375 650724376 /nfs/dbraw/zinc/72/43/76/650724376.db2.gz ZRNPSXFBNYMNOM-TZMCWYRMSA-N 1 0 385.295 2.492 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486901446 650724853 /nfs/dbraw/zinc/72/48/53/650724853.db2.gz JFPNVBIBRZHNDT-UGFHNGPFSA-N 1 0 383.286 2.319 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000487572822 650735906 /nfs/dbraw/zinc/73/59/06/650735906.db2.gz MGTWVYWLLGARCD-GWCFXTLKSA-N 1 0 379.258 2.313 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000487755278 650737578 /nfs/dbraw/zinc/73/75/78/650737578.db2.gz TUEPCPUBZTXFIW-UKRRQHHQSA-N 1 0 395.301 2.465 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000487755277 650737669 /nfs/dbraw/zinc/73/76/69/650737669.db2.gz TUEPCPUBZTXFIW-HIFRSBDPSA-N 1 0 395.301 2.465 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000531393006 650738058 /nfs/dbraw/zinc/73/80/58/650738058.db2.gz JDSAJTWRBRFMPF-OLZOCXBDSA-N 1 0 385.917 2.376 20 0 GEADRO CC(C)[N@H+]1C[C@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000487803683 650738273 /nfs/dbraw/zinc/73/82/73/650738273.db2.gz SWUFYNFZBOTWNT-WFASDCNBSA-N 1 0 397.317 2.416 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000001487257 642320194 /nfs/dbraw/zinc/32/01/94/642320194.db2.gz LMFOKNIWQVPVHY-UHFFFAOYSA-N 1 0 382.283 2.355 20 0 GEADRO CO[C@H]1C[NH+](CCCOc2cccc(I)c2)C[C@@H]1OC ZINC000488002679 650740785 /nfs/dbraw/zinc/74/07/85/650740785.db2.gz YZGXMZAMZBPSBY-GJZGRUSLSA-N 1 0 391.249 2.406 20 0 GEADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCn1cc(Br)cn1 ZINC000488003907 650740921 /nfs/dbraw/zinc/74/09/21/650740921.db2.gz DEWMNFMWUIPGOB-CQSZACIVSA-N 1 0 385.693 2.375 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000531569777 650741048 /nfs/dbraw/zinc/74/10/48/650741048.db2.gz CFRAUDIXUXUUDG-WCQYABFASA-N 1 0 377.539 2.235 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000531570356 650741220 /nfs/dbraw/zinc/74/12/20/650741220.db2.gz VMFMKWUPDRZQCI-ZDUSSCGKSA-N 1 0 387.571 2.022 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+]C[C@](C)(O)CN1CCOCC1 ZINC000531785611 650744380 /nfs/dbraw/zinc/74/43/80/650744380.db2.gz UYOYQQQUKFONIV-INIZCTEOSA-N 1 0 389.359 2.344 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)NCC[NH+](C)C ZINC000007517678 642341294 /nfs/dbraw/zinc/34/12/94/642341294.db2.gz IAPBURSLNAFLDW-UHFFFAOYSA-N 1 0 384.571 2.018 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000008113696 642349033 /nfs/dbraw/zinc/34/90/33/642349033.db2.gz FIHBSACMPGBMGU-UHFFFAOYSA-N 1 0 385.295 2.399 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488535270 650747491 /nfs/dbraw/zinc/74/74/91/650747491.db2.gz LDNOCRFDWRNIFZ-QMTHXVAHSA-N 1 0 376.270 2.261 20 0 GEADRO O=c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)nc2ccc(Br)cn12 ZINC000532646707 650751752 /nfs/dbraw/zinc/75/17/52/650751752.db2.gz GIDDGWQCAGXJEZ-IUODEOHRSA-N 1 0 378.270 2.458 20 0 GEADRO COCCNC(=O)C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000025808610 642428118 /nfs/dbraw/zinc/42/81/18/642428118.db2.gz VDWLORNZTQJQSF-UHFFFAOYSA-N 1 0 385.302 2.303 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000489122286 650754904 /nfs/dbraw/zinc/75/49/04/650754904.db2.gz JRHPHNKWYQRYRZ-CVEARBPZSA-N 1 0 386.901 2.422 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000489122289 650754960 /nfs/dbraw/zinc/75/49/60/650754960.db2.gz JRHPHNKWYQRYRZ-JKSUJKDBSA-N 1 0 386.901 2.422 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000489152948 650755411 /nfs/dbraw/zinc/75/54/11/650755411.db2.gz CUZAPRKXQRRZIW-UHFFFAOYSA-N 1 0 384.293 2.328 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000029608282 642465891 /nfs/dbraw/zinc/46/58/91/642465891.db2.gz QXVDNZSHGXQGGC-UHFFFAOYSA-N 1 0 385.555 2.137 20 0 GEADRO O[C@]1(C(F)(F)F)CCCN(CCC[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000489333526 650757849 /nfs/dbraw/zinc/75/78/49/650757849.db2.gz VMMFOEVEQKYFPR-BETUJISGSA-N 1 0 378.357 2.155 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]CC(=O)NC)cc1Br ZINC000034993305 642505997 /nfs/dbraw/zinc/50/59/97/642505997.db2.gz HUBIDYDOSSYBTR-UHFFFAOYSA-N 1 0 380.080 2.446 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000488961302 650752960 /nfs/dbraw/zinc/75/29/60/650752960.db2.gz HIHQODFWGOZNDG-HNNXBMFYSA-N 1 0 396.329 2.004 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1OC ZINC000037382587 642513201 /nfs/dbraw/zinc/51/32/01/642513201.db2.gz CQUOIZZWQSNVKG-LBPRGKRZSA-N 1 0 377.304 2.220 20 0 GEADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066253 642524879 /nfs/dbraw/zinc/52/48/79/642524879.db2.gz GJUKGCZXRVUPQN-UHFFFAOYSA-N 1 0 384.727 2.364 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000041240817 642527246 /nfs/dbraw/zinc/52/72/46/642527246.db2.gz XKIUNXDMHZVNOI-UHFFFAOYSA-N 1 0 380.286 2.439 20 0 GEADRO COc1ccc(C(=O)NCCCC[NH+]2CCN(C)CC2)cc1Br ZINC000041361835 642529516 /nfs/dbraw/zinc/52/95/16/642529516.db2.gz GCNFHPKNAHFHLG-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489991605 650765888 /nfs/dbraw/zinc/76/58/88/650765888.db2.gz WBLGGIKTGRBACZ-CQSZACIVSA-N 1 0 383.901 2.063 20 0 GEADRO Brc1cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc2c1OCCCO2 ZINC000489987120 650766058 /nfs/dbraw/zinc/76/60/58/650766058.db2.gz GUCGSVJMYXGLNL-HNNXBMFYSA-N 1 0 396.329 2.090 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000042055899 642540547 /nfs/dbraw/zinc/54/05/47/642540547.db2.gz CSQIIUXRKCKKCN-LSDHHAIUSA-N 1 0 380.286 2.439 20 0 GEADRO CN(C(=O)Cc1ccc(I)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000490032834 650766699 /nfs/dbraw/zinc/76/66/99/650766699.db2.gz CIJVUPZVLNZMFB-OAHLLOKOSA-N 1 0 384.261 2.386 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000042158870 642543617 /nfs/dbraw/zinc/54/36/17/642543617.db2.gz QMKJFZJURSUNTA-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CCCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000042686764 642555630 /nfs/dbraw/zinc/55/56/30/642555630.db2.gz LCKJAXGWXWSGHO-MRXNPFEDSA-N 1 0 399.329 2.427 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NCCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000044355414 642576816 /nfs/dbraw/zinc/57/68/16/642576816.db2.gz OMBVCUGPRZUWNW-OAHLLOKOSA-N 1 0 398.345 2.279 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000045012844 642586467 /nfs/dbraw/zinc/58/64/67/642586467.db2.gz SQPLDWPAUBZABH-LBPRGKRZSA-N 1 0 382.302 2.258 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@@H]1[NH+](C)C ZINC000534171854 650770135 /nfs/dbraw/zinc/77/01/35/650770135.db2.gz NDCWXTOXZOROHQ-JQWIXIFHSA-N 1 0 384.445 2.251 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Cn1cc(Br)ccc1=O)C1CCCCC1 ZINC000046949615 642620398 /nfs/dbraw/zinc/62/03/98/642620398.db2.gz JPLCCRNVJKBRAQ-OAHLLOKOSA-N 1 0 384.318 2.238 20 0 GEADRO CC1CC[NH+](CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000046955948 642621054 /nfs/dbraw/zinc/62/10/54/642621054.db2.gz RWLSHKJGSNDCGP-UHFFFAOYSA-N 1 0 387.933 2.052 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc(Br)ccc1=O)c1ccco1 ZINC000047368696 642630961 /nfs/dbraw/zinc/63/09/61/642630961.db2.gz ZFHINHDWYAPZLA-CQSZACIVSA-N 1 0 396.285 2.403 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000534401049 650773935 /nfs/dbraw/zinc/77/39/35/650773935.db2.gz AAZYZIUWNHVFKX-HNNXBMFYSA-N 1 0 375.270 2.475 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000049993045 642673558 /nfs/dbraw/zinc/67/35/58/642673558.db2.gz JLTQIBQHBHOODG-IRXDYDNUSA-N 1 0 380.330 2.258 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000049994690 642674245 /nfs/dbraw/zinc/67/42/45/642674245.db2.gz AIHGFPZTHFJTPZ-LBPRGKRZSA-N 1 0 399.563 2.099 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000050203435 642677470 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CCOc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000130144464 643830894 /nfs/dbraw/zinc/83/08/94/643830894.db2.gz WNRXSFUCCQLBIN-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)C(=O)N(C)Cc2ccccc2Br)CC1 ZINC000498934655 650869710 /nfs/dbraw/zinc/86/97/10/650869710.db2.gz BTKDCNPLZXPXQH-UHFFFAOYSA-N 1 0 394.313 2.176 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1ccc(F)c(I)c1 ZINC000130940487 643856207 /nfs/dbraw/zinc/85/62/07/643856207.db2.gz WIQCIULAVQYZAN-UHFFFAOYSA-N 1 0 394.228 2.128 20 0 GEADRO CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H](C)CS(=O)(=O)CC ZINC000131088376 643862684 /nfs/dbraw/zinc/86/26/84/643862684.db2.gz STTQSGZAWYGFFN-SJORKVTESA-N 1 0 375.579 2.209 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000131660654 643875912 /nfs/dbraw/zinc/87/59/12/643875912.db2.gz IIWSSZQWRAQCGC-LBPRGKRZSA-N 1 0 385.536 2.024 20 0 GEADRO CC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@@H](O)C(F)(F)F ZINC000499091289 650873624 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CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154157526 644022093 /nfs/dbraw/zinc/02/20/93/644022093.db2.gz VJKDESJVTDJPMM-DVOMOZLQSA-N 1 0 383.945 2.400 20 0 GEADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000154167296 644023124 /nfs/dbraw/zinc/02/31/24/644023124.db2.gz ARNUFHWLDDLDEB-CQSZACIVSA-N 1 0 387.571 2.239 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000154189829 644024415 /nfs/dbraw/zinc/02/44/15/644024415.db2.gz PJQRQBNUYGUGFB-NSHDSACASA-N 1 0 380.290 2.307 20 0 GEADRO CCC[NH2+]CCNC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000154198098 644024997 /nfs/dbraw/zinc/02/49/97/644024997.db2.gz SBQCJFGLRPEUPX-LBPRGKRZSA-N 1 0 382.555 2.339 20 0 GEADRO CC[NH+]1CCN(CC(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000154239636 644027992 /nfs/dbraw/zinc/02/79/92/644027992.db2.gz BSYHAODHPUCOQF-UHFFFAOYSA-N 1 0 386.290 2.042 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C[C@H](C)[NH2+]1 ZINC000154280065 644031096 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CCOc1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000155111429 644064696 /nfs/dbraw/zinc/06/46/96/644064696.db2.gz RKYCITLXKDUSCE-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@]1([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CCO[C@H]1C1CC1 ZINC000542310174 650889683 /nfs/dbraw/zinc/88/96/83/650889683.db2.gz YQIQJVHKGSFVRK-IRXDYDNUSA-N 1 0 386.901 2.229 20 0 GEADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cc(F)ccc1Br)C2 ZINC000156481094 644098396 /nfs/dbraw/zinc/09/83/96/644098396.db2.gz TZVUVETWYXYANA-NWDGAFQWSA-N 1 0 377.279 2.445 20 0 GEADRO C[C@H]1CCCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)[C@H]1C[NH3+] ZINC000156622077 644108203 /nfs/dbraw/zinc/10/82/03/644108203.db2.gz AFIFGOGAQMNDSM-GWCFXTLKSA-N 1 0 389.315 2.052 20 0 GEADRO CC1(C)NC(=O)N(CCC[NH2+][C@H](CCO)c2ccccc2Br)C1=O ZINC000542879111 650892908 /nfs/dbraw/zinc/89/29/08/650892908.db2.gz MNXCSNPRMCYEHV-CQSZACIVSA-N 1 0 398.301 2.183 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000156942647 644125045 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CCC([NH3+])(CC)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000160469070 644202016 /nfs/dbraw/zinc/20/20/16/644202016.db2.gz AXFXJSSBUAVNDO-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO O=C(CSc1ccc(Cl)cc1)NNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160720418 644205242 /nfs/dbraw/zinc/20/52/42/644205242.db2.gz NMVVLTDFBFDJKJ-AWEZNQCLSA-N 1 0 382.917 2.247 20 0 GEADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1sccc1Br ZINC000161697307 644215989 /nfs/dbraw/zinc/21/59/89/644215989.db2.gz SBSDGOSXSSHAQW-LLVKDONJSA-N 1 0 397.360 2.026 20 0 GEADRO CC(C)N(C)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161830202 644222007 /nfs/dbraw/zinc/22/20/07/644222007.db2.gz IPQJQAHCZHZVBN-OAHLLOKOSA-N 1 0 375.922 2.185 20 0 GEADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000161920017 644225212 /nfs/dbraw/zinc/22/52/12/644225212.db2.gz ZGQNQFVPJAZPOF-ZNMIVQPWSA-N 1 0 388.555 2.326 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000161919913 644225261 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CCC(CC)[C@@H](CNC(=O)N(C)CC(C)(C)S(C)(=O)=O)[NH+]1CCCC1 ZINC000162969332 644243591 /nfs/dbraw/zinc/24/35/91/644243591.db2.gz WQUNLSVVOQVQJC-MRXNPFEDSA-N 1 0 375.579 2.352 20 0 GEADRO OC[C@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000543185407 650903218 /nfs/dbraw/zinc/90/32/18/650903218.db2.gz LDTBOJQDTVVLIO-RYUDHWBXSA-N 1 0 396.734 2.252 20 0 GEADRO COCC[N@H+](C)CCNC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000543186536 650903244 /nfs/dbraw/zinc/90/32/44/650903244.db2.gz ZCCCGWZVWQJVJX-UHFFFAOYSA-N 1 0 397.317 2.350 20 0 GEADRO CCOC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000163172730 644250524 /nfs/dbraw/zinc/25/05/24/644250524.db2.gz KLLKBRKRYIYCED-MRXNPFEDSA-N 1 0 385.302 2.497 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000164515133 644265923 /nfs/dbraw/zinc/26/59/23/644265923.db2.gz XDEXACFEQYVLMK-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000543249954 650905533 /nfs/dbraw/zinc/90/55/33/650905533.db2.gz RTOWHQFLXINDTN-HNNXBMFYSA-N 1 0 388.555 2.023 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000166104167 644272416 /nfs/dbraw/zinc/27/24/16/644272416.db2.gz MGXZLRUXPHEKHM-WFASDCNBSA-N 1 0 386.359 2.472 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(I)ccc1O ZINC000170901211 644295711 /nfs/dbraw/zinc/29/57/11/644295711.db2.gz XNSIKEYSSDVXIP-UHFFFAOYSA-N 1 0 388.249 2.411 20 0 GEADRO CCOC(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000171118349 644312220 /nfs/dbraw/zinc/31/22/20/644312220.db2.gz RHKLMJIYYVRYBD-CYBMUJFWSA-N 1 0 398.301 2.400 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171239116 644318018 /nfs/dbraw/zinc/31/80/18/644318018.db2.gz YCDKMAFUXRHOBR-OAHLLOKOSA-N 1 0 386.286 2.274 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000173262106 644354944 /nfs/dbraw/zinc/35/49/44/644354944.db2.gz VBAWMIDMVNYHSI-DOMZBBRYSA-N 1 0 388.917 2.477 20 0 GEADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(NS(C)(=O)=O)c1 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O=C(CSCC(F)(F)F)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000543707236 650920752 /nfs/dbraw/zinc/92/07/52/650920752.db2.gz HSBZRKZXJCHFEO-LSDHHAIUSA-N 1 0 376.444 2.281 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000178818078 644442363 /nfs/dbraw/zinc/44/23/63/644442363.db2.gz WYGLFPUEATXKNA-UONOGXRCSA-N 1 0 386.901 2.374 20 0 GEADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000178908435 644443829 /nfs/dbraw/zinc/44/38/29/644443829.db2.gz MQOVLWYATRNGDM-MRVPVSSYSA-N 1 0 387.221 2.437 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178969124 644448269 /nfs/dbraw/zinc/44/82/69/644448269.db2.gz VSHCPHCMSBKORO-JTQLQIEISA-N 1 0 384.727 2.491 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543752125 650922561 /nfs/dbraw/zinc/92/25/61/650922561.db2.gz NJJNDRLYMMDHFK-CHWSQXEVSA-N 1 0 385.555 2.087 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccnc(Br)c2)ccn1 ZINC000179476524 644462814 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COC[C@H](O)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185874901 645056185 /nfs/dbraw/zinc/05/61/85/645056185.db2.gz BQYDJOUDUNEFNH-SNVBAGLBSA-N 1 0 382.096 2.281 20 0 GEADRO CC(=O)N[C@H](CC(=O)NCC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000186376544 645065727 /nfs/dbraw/zinc/06/57/27/645065727.db2.gz XCNVNXRNBMYCNW-MRXNPFEDSA-N 1 0 380.286 2.052 20 0 GEADRO Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cnc1Br ZINC000186758118 645074688 /nfs/dbraw/zinc/07/46/88/645074688.db2.gz BLUIIWNCWUTOST-GFCCVEGCSA-N 1 0 385.306 2.461 20 0 GEADRO O=C(Nc1ccsc1Cl)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187027589 645079323 /nfs/dbraw/zinc/07/93/23/645079323.db2.gz LUNJDDATHPNJTH-UHFFFAOYSA-N 1 0 385.917 2.443 20 0 GEADRO COc1cc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)ccc1Br ZINC000545490085 650976732 /nfs/dbraw/zinc/97/67/32/650976732.db2.gz YCQPEUUZZZUKOM-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1CCS(=O)(=O)CC1 ZINC000187487199 645091593 /nfs/dbraw/zinc/09/15/93/645091593.db2.gz 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Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1F ZINC000192939468 645233040 /nfs/dbraw/zinc/23/30/40/645233040.db2.gz ZJDUXHNUVUTECB-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccnn1C ZINC000193064610 645237217 /nfs/dbraw/zinc/23/72/17/645237217.db2.gz UXRBWUXURNWWPT-LLVKDONJSA-N 1 0 377.388 2.443 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1Br ZINC000193084358 645239616 /nfs/dbraw/zinc/23/96/16/645239616.db2.gz PTMUIXQWVTXTIV-RYUDHWBXSA-N 1 0 397.317 2.328 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ncccc2Br)CC1 ZINC000193189817 645249825 /nfs/dbraw/zinc/24/98/25/645249825.db2.gz IWXILKGKLNLWPK-AWEZNQCLSA-N 1 0 381.318 2.086 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000193242567 645254702 /nfs/dbraw/zinc/25/47/02/645254702.db2.gz MYQJDYYPLYFXMK-FOSCPWQOSA-N 1 0 375.288 2.019 20 0 GEADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193301939 645263962 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GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193602878 645288636 /nfs/dbraw/zinc/28/86/36/645288636.db2.gz ZSPKSSSCSUMBGE-CYBMUJFWSA-N 1 0 397.317 2.267 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@H](C)O1 ZINC000194058563 645310883 /nfs/dbraw/zinc/31/08/83/645310883.db2.gz OQIMQJLLAMILDP-AHIWAGSCSA-N 1 0 397.313 2.368 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000546563575 651001773 /nfs/dbraw/zinc/00/17/73/651001773.db2.gz LZOUVNVFNUWKGF-SFHVURJKSA-N 1 0 393.329 2.408 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000194707069 645343813 /nfs/dbraw/zinc/34/38/13/645343813.db2.gz CCEDEERREUTJRI-DOMZBBRYSA-N 1 0 380.286 2.012 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)c1ccc(Br)cc1I ZINC000194947993 645350038 /nfs/dbraw/zinc/35/00/38/645350038.db2.gz JCKWHDHUIQZBEJ-ZCFIWIBFSA-N 1 0 383.027 2.131 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCCC2)ccc1Br ZINC000195037102 645356653 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SRFLOJXQCVADSB-HZSPNIEDSA-N 1 0 384.318 2.163 20 0 GEADRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F ZINC000248410628 645523874 /nfs/dbraw/zinc/52/38/74/645523874.db2.gz DHAJATAPGPDNPT-DETPVDSQSA-N 1 0 390.908 2.458 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000248518281 645530876 /nfs/dbraw/zinc/53/08/76/645530876.db2.gz PVIVIAMEBYJKBU-CGTJXYLNSA-N 1 0 387.567 2.493 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248569393 645532544 /nfs/dbraw/zinc/53/25/44/645532544.db2.gz LQUJWFASQLFRHK-MWLCHTKSSA-N 1 0 396.207 2.418 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248713035 645534795 /nfs/dbraw/zinc/53/47/95/645534795.db2.gz DCRAVODZDXDSRM-DOTOQJQBSA-N 1 0 397.313 2.226 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000248726526 645535417 /nfs/dbraw/zinc/53/54/17/645535417.db2.gz IKRWFWVDUDAFJE-NWDGAFQWSA-N 1 0 383.290 2.019 20 0 GEADRO 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/nfs/dbraw/zinc/55/46/89/645554689.db2.gz GQJCMTYZHPCRJJ-OCCSQVGLSA-N 1 0 376.906 2.126 20 0 GEADRO C[C@H]1CCCN(CC(=O)Nc2ccccc2I)[C@H]1C[NH3+] ZINC000252463783 645565261 /nfs/dbraw/zinc/56/52/61/645565261.db2.gz CRLLTQQYLGEFJP-FZMZJTMJSA-N 1 0 387.265 2.289 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000261697153 645594655 /nfs/dbraw/zinc/59/46/55/645594655.db2.gz IVUGPXFUKYAZOY-KBPBESRZSA-N 1 0 396.329 2.334 20 0 GEADRO C[C@@]([NH3+])(C(=O)NC1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1 ZINC000261721078 645596534 /nfs/dbraw/zinc/59/65/34/645596534.db2.gz KDPPKNGIKTYPNF-SFHVURJKSA-N 1 0 394.313 2.140 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC[C@H](Cn2cncn2)C1)c1ccc(Br)cc1 ZINC000261757143 645597520 /nfs/dbraw/zinc/59/75/20/645597520.db2.gz NDSYYSIKTKSMHM-GUYCJALGSA-N 1 0 392.301 2.153 20 0 GEADRO COC(=O)c1cc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cn1C ZINC000261764964 645597958 /nfs/dbraw/zinc/59/79/58/645597958.db2.gz NUOMWCSVXGVMHN-MRXNPFEDSA-N 1 0 380.242 2.387 20 0 GEADRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261788679 645600078 /nfs/dbraw/zinc/60/00/78/645600078.db2.gz NKZJJOKYABGWNN-INIZCTEOSA-N 1 0 385.302 2.430 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261786053 645600239 /nfs/dbraw/zinc/60/02/39/645600239.db2.gz KNNXFPGFKTUBJS-JOYOIKCWSA-N 1 0 395.294 2.487 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000261786018 645600258 /nfs/dbraw/zinc/60/02/58/645600258.db2.gz KNNXFPGFKTUBJS-BXKDBHETSA-N 1 0 395.294 2.487 20 0 GEADRO O=C(CC[C@H]1CC[NH2+]C1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000261796868 645600918 /nfs/dbraw/zinc/60/09/18/645600918.db2.gz DRELDEAXDLORDX-VIFPVBQESA-N 1 0 375.782 2.407 20 0 GEADRO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000261808137 645602239 /nfs/dbraw/zinc/60/22/39/645602239.db2.gz RPIUCZASUVNUTR-TZMCWYRMSA-N 1 0 378.274 2.402 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000261819353 645602875 /nfs/dbraw/zinc/60/28/75/645602875.db2.gz HUUMBKBUOWMMTI-SRVKXCTJSA-N 1 0 375.357 2.307 20 0 GEADRO CN(C)c1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cn1 ZINC000261864428 645607042 /nfs/dbraw/zinc/60/70/42/645607042.db2.gz XGUUZOPFGPQUMM-QGZVFWFLSA-N 1 0 377.286 2.400 20 0 GEADRO C[C@@H](CSc1ccccc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261873009 645607315 /nfs/dbraw/zinc/60/73/15/645607315.db2.gz OIBUBIQFHXIRBZ-DZGCQCFKSA-N 1 0 375.460 2.367 20 0 GEADRO CC1(C)CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC[C@@H]1[NH3+] ZINC000261873130 645607917 /nfs/dbraw/zinc/60/79/17/645607917.db2.gz OJMDKOUJAXQEGP-DOMZBBRYSA-N 1 0 394.313 2.388 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261876279 645608080 /nfs/dbraw/zinc/60/80/80/645608080.db2.gz ZRPXJKCIOWYSQO-TVQRCGJNSA-N 1 0 379.707 2.475 20 0 GEADRO CC(C)OCCN1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261882500 645608438 /nfs/dbraw/zinc/60/84/38/645608438.db2.gz ZIJSAPDCKYUYJA-GOSISDBHSA-N 1 0 398.345 2.192 20 0 GEADRO C[C@@H]1CCN(C(=O)COc2ccc(I)cc2)[C@H](C[NH3+])C1 ZINC000261878296 645608977 /nfs/dbraw/zinc/60/89/77/645608977.db2.gz TVFQANDQOSIEDX-YPMHNXCESA-N 1 0 388.249 2.256 20 0 GEADRO [NH3+][C@H](C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)C1CCOCC1 ZINC000261886136 645609264 /nfs/dbraw/zinc/60/92/64/645609264.db2.gz VBWCLSSNMQCBOB-CVEARBPZSA-N 1 0 383.286 2.103 20 0 GEADRO Cc1cc(Br)oc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261910614 645611018 /nfs/dbraw/zinc/61/10/18/645611018.db2.gz TUBZWZXYDWFVSU-CHWSQXEVSA-N 1 0 398.301 2.071 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261939421 645613981 /nfs/dbraw/zinc/61/39/81/645613981.db2.gz NBAKMPPOAOJDCG-GFCCVEGCSA-N 1 0 380.286 2.236 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000262002330 645615582 /nfs/dbraw/zinc/61/55/82/645615582.db2.gz GIFGJVWINQFRDX-ZDUSSCGKSA-N 1 0 379.707 2.477 20 0 GEADRO O=C(NCC1C[NH2+]C1)c1cc(Br)ccc1I ZINC000262046340 645616387 /nfs/dbraw/zinc/61/63/87/645616387.db2.gz ULUHNXUIBYEATE-UHFFFAOYSA-N 1 0 395.038 2.003 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NC2CCC([NH3+])CC2)cc1C(F)(F)F ZINC000262111651 645617948 /nfs/dbraw/zinc/61/79/48/645617948.db2.gz URPFHPYJALPLEZ-UHFFFAOYSA-N 1 0 380.388 2.040 20 0 GEADRO CN[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000262195022 645619984 /nfs/dbraw/zinc/61/99/84/645619984.db2.gz MLDTVQFTVWDXJC-OAHLLOKOSA-N 1 0 384.267 2.085 20 0 GEADRO CS(=O)(=O)Cc1nc(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)cs1 ZINC000262229807 645621157 /nfs/dbraw/zinc/62/11/57/645621157.db2.gz NTBFOTUMURIRFB-HNNXBMFYSA-N 1 0 385.942 2.488 20 0 GEADRO Cc1cc(Cc2cnc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)s2)ccc1Br ZINC000262254314 645622351 /nfs/dbraw/zinc/62/23/51/645622351.db2.gz DLMKVVYSDKXJIY-SMDDNHRTSA-N 1 0 396.310 2.466 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)c2ccc(Br)c(Cl)c2)CCC[NH2+]1 ZINC000262255646 645622570 /nfs/dbraw/zinc/62/25/70/645622570.db2.gz IYKZAIBCYOROCA-ZDUSSCGKSA-N 1 0 397.722 2.149 20 0 GEADRO CCCN(Cc1c(F)cccc1Cl)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262284145 645624305 /nfs/dbraw/zinc/62/43/05/645624305.db2.gz XOJVOFMRBIJIAV-UHFFFAOYSA-N 1 0 390.908 2.385 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[NH3+])C1 ZINC000262495227 645633638 /nfs/dbraw/zinc/63/36/38/645633638.db2.gz YUXAJZLXFBJTLS-STQMWFEESA-N 1 0 382.302 2.073 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000262535252 645635719 /nfs/dbraw/zinc/63/57/19/645635719.db2.gz PHSYYXKBECXEAP-JTQLQIEISA-N 1 0 380.242 2.300 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)COc2ccc(I)cc2)C1 ZINC000262569720 645637337 /nfs/dbraw/zinc/63/73/37/645637337.db2.gz GGQSAHWLEYDONI-VXGBXAGGSA-N 1 0 388.249 2.256 20 0 GEADRO C[NH2+][C@H](C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1cnn(C)c1 ZINC000262586541 645638620 /nfs/dbraw/zinc/63/86/20/645638620.db2.gz VMQIETZUPDKGIW-CVEARBPZSA-N 1 0 393.285 2.043 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000262598830 645639234 /nfs/dbraw/zinc/63/92/34/645639234.db2.gz WNXKIMBASDADOA-NUEKZKHPSA-N 1 0 394.313 2.297 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000262609481 645639832 /nfs/dbraw/zinc/63/98/32/645639832.db2.gz CLBPJLTWEINJJS-AWEZNQCLSA-N 1 0 399.333 2.271 20 0 GEADRO CCOC(=O)CSc1nnc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)s1 ZINC000262616848 645640447 /nfs/dbraw/zinc/64/04/47/645640447.db2.gz GNCPTBIIPXWPLN-ZWNOBZJWSA-N 1 0 380.495 2.468 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)CC[N@@H+]1C ZINC000547534042 651030048 /nfs/dbraw/zinc/03/00/48/651030048.db2.gz RGEUSWKCIOSUKX-ZLDLUXBVSA-N 1 0 385.917 2.293 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)CC[N@@H+]1C ZINC000547534041 651030135 /nfs/dbraw/zinc/03/01/35/651030135.db2.gz RGEUSWKCIOSUKX-UXIGCNINSA-N 1 0 385.917 2.293 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000262724250 645642159 /nfs/dbraw/zinc/64/21/59/645642159.db2.gz GOKWVJSMBREWOK-QMTHXVAHSA-N 1 0 378.274 2.066 20 0 GEADRO CCC[C@@](C)([NH3+])C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000262720965 645642315 /nfs/dbraw/zinc/64/23/15/645642315.db2.gz ZSTNBTBBSAHORA-QGZVFWFLSA-N 1 0 382.302 2.251 20 0 GEADRO CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(OCCC[NH3+])CC1 ZINC000262733038 645643243 /nfs/dbraw/zinc/64/32/43/645643243.db2.gz FBLMWYMLSIFUDY-UHFFFAOYSA-N 1 0 377.595 2.455 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(OC)cc2Br)CC1 ZINC000262751659 645644449 /nfs/dbraw/zinc/64/44/49/645644449.db2.gz GMNCJDQESDEYBI-UHFFFAOYSA-N 1 0 377.304 2.078 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1cc(Br)ccc1F ZINC000264496158 645685984 /nfs/dbraw/zinc/68/59/84/645685984.db2.gz JWGHGGRSNZAFRM-NFBGWVBBSA-N 1 0 398.276 2.057 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000264501172 645686643 /nfs/dbraw/zinc/68/66/43/645686643.db2.gz RIKCLGFZANHXFQ-CYBMUJFWSA-N 1 0 398.301 2.249 20 0 GEADRO C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1Br ZINC000264539834 645690076 /nfs/dbraw/zinc/69/00/76/645690076.db2.gz AKCYSSWHTKDQPY-DOMZBBRYSA-N 1 0 397.317 2.149 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264565746 645692503 /nfs/dbraw/zinc/69/25/03/645692503.db2.gz GMDOILWUESTSHS-CQSZACIVSA-N 1 0 386.901 2.376 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccnc1SC(F)(F)F ZINC000264607690 645695283 /nfs/dbraw/zinc/69/52/83/645695283.db2.gz GWAWVBOKARNHEU-UHFFFAOYSA-N 1 0 376.448 2.403 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 ZINC000264602351 645695571 /nfs/dbraw/zinc/69/55/71/645695571.db2.gz XVZAKKAWOXXPID-DGCLKSJQSA-N 1 0 389.265 2.192 20 0 GEADRO CC(C)C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N(C)C)[NH+]1CCCC1 ZINC000264684829 645702074 /nfs/dbraw/zinc/70/20/74/645702074.db2.gz POHXYPSGQLHNOA-AWEZNQCLSA-N 1 0 387.571 2.239 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264709421 645705494 /nfs/dbraw/zinc/70/54/94/645705494.db2.gz ITRBTULRZWSOEP-WMLDXEAASA-N 1 0 397.361 2.315 20 0 GEADRO C[NH+](C)CCCCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000264920132 645727973 /nfs/dbraw/zinc/72/79/73/645727973.db2.gz PMBIHTOFBJDESS-UHFFFAOYSA-N 1 0 396.340 2.120 20 0 GEADRO Cn1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1=O ZINC000265059520 645738652 /nfs/dbraw/zinc/73/86/52/645738652.db2.gz QYPATXICEHNACI-UHFFFAOYSA-N 1 0 392.297 2.352 20 0 GEADRO C[C@H](Cn1cccn1)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000265106869 645743523 /nfs/dbraw/zinc/74/35/23/645743523.db2.gz YKEIKZFYPNYCMI-LLVKDONJSA-N 1 0 384.221 2.105 20 0 GEADRO CC(=O)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000265192019 645749178 /nfs/dbraw/zinc/74/91/78/645749178.db2.gz CKLHGNACUPXYLN-KRWDZBQOSA-N 1 0 396.329 2.350 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000265351823 645754976 /nfs/dbraw/zinc/75/49/76/645754976.db2.gz XQYYHCURRHPIJC-GFCCVEGCSA-N 1 0 378.416 2.394 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(Br)s2)C1 ZINC000265524565 645768201 /nfs/dbraw/zinc/76/82/01/645768201.db2.gz IJARUAHPVSACTL-LLVKDONJSA-N 1 0 376.320 2.373 20 0 GEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000265648413 645786886 /nfs/dbraw/zinc/78/68/86/645786886.db2.gz SXPRTILSGIMXQB-AWEZNQCLSA-N 1 0 386.323 2.469 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000265900141 645811674 /nfs/dbraw/zinc/81/16/74/645811674.db2.gz YCVJXEKBUUXAQK-UHFFFAOYSA-N 1 0 386.905 2.271 20 0 GEADRO COc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)c(Cl)c1Cl ZINC000266166703 645828704 /nfs/dbraw/zinc/82/87/04/645828704.db2.gz MENKDTAPDZJFMX-UHFFFAOYSA-N 1 0 397.324 2.391 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000266166678 645828855 /nfs/dbraw/zinc/82/88/55/645828855.db2.gz MDZFNHKISMHCKB-UHFFFAOYSA-N 1 0 378.416 2.027 20 0 GEADRO COc1cc(C[NH2+]C[C@@H](C)CCO)cc(I)c1OC ZINC000266169344 645829251 /nfs/dbraw/zinc/82/92/51/645829251.db2.gz QNVGHROGQKCKSL-JTQLQIEISA-N 1 0 379.238 2.417 20 0 GEADRO COc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1Br ZINC000266461854 645843915 /nfs/dbraw/zinc/84/39/15/645843915.db2.gz SVBPGBGQLREYQT-ZDUSSCGKSA-N 1 0 399.333 2.463 20 0 GEADRO Cn1ccnc1N1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000266967148 645868259 /nfs/dbraw/zinc/86/82/59/645868259.db2.gz YMWQSDMIFLXMIU-UHFFFAOYSA-N 1 0 392.301 2.333 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000267033402 645875992 /nfs/dbraw/zinc/87/59/92/645875992.db2.gz BKOLAPRMMAANTC-ZDUSSCGKSA-N 1 0 379.555 2.486 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)CCN2C(=S)N=NC2c2cccs2)CCSC1 ZINC000267101288 645881976 /nfs/dbraw/zinc/88/19/76/645881976.db2.gz KUWBMXTVQCJLPM-INIZCTEOSA-N 1 0 397.595 2.239 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000267181695 645886598 /nfs/dbraw/zinc/88/65/98/645886598.db2.gz XLNWWMZPDVZONX-HNNXBMFYSA-N 1 0 391.946 2.014 20 0 GEADRO CCCC[NH+]1CCC(NS(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC000267246603 645892158 /nfs/dbraw/zinc/89/21/58/645892158.db2.gz YRRFTIPDEJIFMM-UHFFFAOYSA-N 1 0 390.527 2.086 20 0 GEADRO CNS(=O)(=O)c1csc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)c1 ZINC000267306415 645897205 /nfs/dbraw/zinc/89/72/05/645897205.db2.gz LCELNXBKMJPIPU-UHFFFAOYSA-N 1 0 378.479 2.435 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cccc(SC(F)F)c2)CCSC1 ZINC000267416007 645901015 /nfs/dbraw/zinc/90/10/15/645901015.db2.gz YXGJWNPGCQTLHM-MRXNPFEDSA-N 1 0 389.493 2.493 20 0 GEADRO Cc1cc(CCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1Br ZINC000267581875 645910101 /nfs/dbraw/zinc/91/01/01/645910101.db2.gz LIXHIZIPPMRZAN-INIZCTEOSA-N 1 0 396.329 2.146 20 0 GEADRO CN(C)C(=O)Sc1cccc(CN2CCCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000267671485 645915279 /nfs/dbraw/zinc/91/52/79/645915279.db2.gz ZHTARPRPWYRXPH-OAHLLOKOSA-N 1 0 385.555 2.364 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Br)cn1 ZINC000268013010 645938982 /nfs/dbraw/zinc/93/89/82/645938982.db2.gz AAGPFWNHLLJRFQ-UHFFFAOYSA-N 1 0 388.287 2.190 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000268022800 645940022 /nfs/dbraw/zinc/94/00/22/645940022.db2.gz IGYHCFIAWAIZJQ-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO 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GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000271622125 646215986 /nfs/dbraw/zinc/21/59/86/646215986.db2.gz PGNQSNIAOYMUTN-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000271693321 646220543 /nfs/dbraw/zinc/22/05/43/646220543.db2.gz RXICFCUUQDQNGS-ZDUSSCGKSA-N 1 0 377.794 2.428 20 0 GEADRO Cn1cnc2cc(C[NH2+]CCNS(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000271706956 646222165 /nfs/dbraw/zinc/22/21/65/646222165.db2.gz UMBYMSGBGCKFKP-UHFFFAOYSA-N 1 0 384.914 2.356 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)CCO1 ZINC000271768844 646230257 /nfs/dbraw/zinc/23/02/57/646230257.db2.gz UGURSDUEVINNIL-MRVWCRGKSA-N 1 0 391.249 2.188 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 ZINC000271812504 646231052 /nfs/dbraw/zinc/23/10/52/646231052.db2.gz FLKXQAKAHLMMHL-UHFFFAOYSA-N 1 0 377.901 2.391 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)c2ccnc(Cl)c2I)CC1 ZINC000272053494 646251316 /nfs/dbraw/zinc/25/13/16/646251316.db2.gz 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COC[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272514452 646275076 /nfs/dbraw/zinc/27/50/76/646275076.db2.gz XKAZFCJHYMDAEN-FUHWJXTLSA-N 1 0 383.897 2.430 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)[C@@H](C)C[NH2+]1 ZINC000272541694 646276658 /nfs/dbraw/zinc/27/66/58/646276658.db2.gz JSFYDLVMPHRVFT-NEPJUHHUSA-N 1 0 387.933 2.239 20 0 GEADRO CC1(CNC(=O)c2ccc3ncc(I)n3c2)CC[NH2+]CC1 ZINC000273038707 646298613 /nfs/dbraw/zinc/29/86/13/646298613.db2.gz USSJUAAUXAEEBT-UHFFFAOYSA-N 1 0 398.248 2.058 20 0 GEADRO O=C(NC[C@H]1CC[NH2+]C1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000273034835 646298692 /nfs/dbraw/zinc/29/86/92/646298692.db2.gz NNVVBKGVZSXLIB-LBPRGKRZSA-N 1 0 389.297 2.463 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1cnn(C)c1 ZINC000273396994 646314669 /nfs/dbraw/zinc/31/46/69/646314669.db2.gz PZQCBRMKHNHTJR-JTQLQIEISA-N 1 0 384.221 2.314 20 0 GEADRO CNC(=O)C[NH+]1CCC(Nc2ccnc3cc(Br)cnc32)CC1 ZINC000274653109 646327268 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GEADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)cc1 ZINC000277246117 646393351 /nfs/dbraw/zinc/39/33/51/646393351.db2.gz NPDZZGISIXGWKH-IRXDYDNUSA-N 1 0 385.551 2.394 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)c(F)cc1F ZINC000277352528 646406400 /nfs/dbraw/zinc/40/64/00/646406400.db2.gz ABPFJNBSXUXVFM-NSHDSACASA-N 1 0 390.272 2.483 20 0 GEADRO C[C@H]1COCC[C@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000277403847 646414412 /nfs/dbraw/zinc/41/44/12/646414412.db2.gz JDPAKWORJAWCQU-XJKSGUPXSA-N 1 0 385.302 2.301 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)ccc1Cl ZINC000277465645 646425999 /nfs/dbraw/zinc/42/59/99/646425999.db2.gz IDDSMTLCSDLPJY-IUODEOHRSA-N 1 0 387.933 2.098 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(=O)n1C ZINC000277481923 646428993 /nfs/dbraw/zinc/42/89/93/646428993.db2.gz RATSUBLEADLUQT-CQSZACIVSA-N 1 0 396.329 2.404 20 0 GEADRO COc1cc(Cl)c(Br)cc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000277493657 646431374 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CCOCCOc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000278737976 646544195 /nfs/dbraw/zinc/54/41/95/646544195.db2.gz VBXAUMVYFXJGIP-SUMWQHHRSA-N 1 0 388.302 2.494 20 0 GEADRO COc1sc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1Br ZINC000278771659 646547819 /nfs/dbraw/zinc/54/78/19/646547819.db2.gz UPRCLZGYYNVLFD-AAEUAGOBSA-N 1 0 386.315 2.461 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)Nc1ccc(Cl)cc1 ZINC000278798487 646550818 /nfs/dbraw/zinc/55/08/18/646550818.db2.gz FOKVGWRULZOGCB-INIZCTEOSA-N 1 0 385.917 2.169 20 0 GEADRO COCCSCCC[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000278809612 646551811 /nfs/dbraw/zinc/55/18/11/646551811.db2.gz HFPQGOSIPFNRCD-KRWDZBQOSA-N 1 0 385.961 2.254 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278945738 646565450 /nfs/dbraw/zinc/56/54/50/646565450.db2.gz GQOZKPSNKGZKRN-LBPRGKRZSA-N 1 0 393.285 2.400 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278945734 646565540 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380.286 2.282 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000332445191 647438621 /nfs/dbraw/zinc/43/86/21/647438621.db2.gz CYQYQDGBOYEEQL-HUUCEWRRSA-N 1 0 394.313 2.028 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000332529474 647441966 /nfs/dbraw/zinc/44/19/66/647441966.db2.gz GOZQWLBLGBBJCW-GFCCVEGCSA-N 1 0 382.291 2.429 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)[C@@H](C)C[NH2+]1 ZINC000332540876 647443634 /nfs/dbraw/zinc/44/36/34/647443634.db2.gz CWWUFBFCDNGWGC-MNOVXSKESA-N 1 0 380.286 2.085 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332546178 647444224 /nfs/dbraw/zinc/44/42/24/647444224.db2.gz GMIQQSAMFZTHQU-OLZOCXBDSA-N 1 0 380.286 2.072 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332548268 647444744 /nfs/dbraw/zinc/44/47/44/647444744.db2.gz HUIIKNMAUFBTGR-BXKDBHETSA-N 1 0 386.677 2.251 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(F)cc1Br ZINC000332553105 647445268 /nfs/dbraw/zinc/44/52/68/647445268.db2.gz KXZPWLBGVPPHAC-ZWNOBZJWSA-N 1 0 384.249 2.046 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332558204 647445279 /nfs/dbraw/zinc/44/52/79/647445279.db2.gz OPENHSNNPPVEBT-OCCSQVGLSA-N 1 0 380.286 2.215 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000332565459 647446416 /nfs/dbraw/zinc/44/64/16/647446416.db2.gz ULTKSUQJXZVJAF-GFCCVEGCSA-N 1 0 382.302 2.496 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000332572802 647447524 /nfs/dbraw/zinc/44/75/24/647447524.db2.gz XDCPIMVMKGWQBD-OCCSQVGLSA-N 1 0 380.286 2.215 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc(C)c1Br ZINC000332579567 647448529 /nfs/dbraw/zinc/44/85/29/647448529.db2.gz ZWPHGYUSVLSBSM-STQMWFEESA-N 1 0 380.286 2.072 20 0 GEADRO CS[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2Br)C[C@@H]1[NH+](C)C ZINC000332668783 647451458 /nfs/dbraw/zinc/45/14/58/647451458.db2.gz HPQFZERRIAZPEH-UWVGGRQHSA-N 1 0 375.336 2.413 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000333092687 647460577 /nfs/dbraw/zinc/46/05/77/647460577.db2.gz BHGUBLSTIZTICR-LLVKDONJSA-N 1 0 376.425 2.359 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1=O ZINC000333092850 647460834 /nfs/dbraw/zinc/46/08/34/647460834.db2.gz CRHKNADSZSDPBM-VXGBXAGGSA-N 1 0 383.290 2.001 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1=O ZINC000333092843 647460860 /nfs/dbraw/zinc/46/08/60/647460860.db2.gz CRHKNADSZSDPBM-NEPJUHHUSA-N 1 0 383.290 2.001 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1[NH+]1CCCC1 ZINC000333173559 647464294 /nfs/dbraw/zinc/46/42/94/647464294.db2.gz KUVRXVFNJTXJKD-OLZOCXBDSA-N 1 0 395.472 2.301 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333256705 647467780 /nfs/dbraw/zinc/46/77/80/647467780.db2.gz DICJFRYLHFKPKT-NEPJUHHUSA-N 1 0 391.273 2.103 20 0 GEADRO CN(C)c1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ncc1Br ZINC000333409893 647471462 /nfs/dbraw/zinc/47/14/62/647471462.db2.gz ZSHFYPZHAYMQQD-IJLUTSLNSA-N 1 0 382.306 2.420 20 0 GEADRO O=S(=O)(C[C@@H]1CCCC1(F)F)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333428706 647472692 /nfs/dbraw/zinc/47/26/92/647472692.db2.gz NFLKULFBLGGHOI-BPUTZDHNSA-N 1 0 380.501 2.109 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)C1 ZINC000333680111 647478972 /nfs/dbraw/zinc/47/89/72/647478972.db2.gz OQNYMRIEQMDWKC-UKRRQHHQSA-N 1 0 376.881 2.386 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000333683761 647479436 /nfs/dbraw/zinc/47/94/36/647479436.db2.gz PBJZNSUZRKEBMN-GDBMZVCRSA-N 1 0 382.302 2.327 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000333803876 647482696 /nfs/dbraw/zinc/48/26/96/647482696.db2.gz IFKSRAVTOJSUAQ-ZDUSSCGKSA-N 1 0 385.295 2.213 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333831594 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[NH3+]C1(C(=O)NCC(=O)Nc2ccc(Br)cc2)Cc2ccccc2C1 ZINC000361700640 647563246 /nfs/dbraw/zinc/56/32/46/647563246.db2.gz LYPVVZXORQRQQM-UHFFFAOYSA-N 1 0 388.265 2.000 20 0 GEADRO O=S(=O)(c1cc(F)cc(Cl)c1)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000361779775 647563975 /nfs/dbraw/zinc/56/39/75/647563975.db2.gz HTMGSOKDPLUHBY-LSDHHAIUSA-N 1 0 376.881 2.089 20 0 GEADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000362334160 647569774 /nfs/dbraw/zinc/56/97/74/647569774.db2.gz HEKPUOUPNCOJKO-OBJOEFQTSA-N 1 0 380.901 2.321 20 0 GEADRO CC[N@H+](C)CCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000362736801 647572738 /nfs/dbraw/zinc/57/27/38/647572738.db2.gz OUXNTLULMVXTCL-UHFFFAOYSA-N 1 0 396.329 2.369 20 0 GEADRO O=C(NCc1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000362969561 647577393 /nfs/dbraw/zinc/57/73/93/647577393.db2.gz BVGJKUAAAWIDBX-CVEARBPZSA-N 1 0 382.302 2.190 20 0 GEADRO O=C(NCc1sccc1Br)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363017266 647579184 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C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(Br)cn1 ZINC000363423737 647595953 /nfs/dbraw/zinc/59/59/53/647595953.db2.gz NBIQBTAJPOXLCE-VHDGCEQUSA-N 1 0 382.302 2.463 20 0 GEADRO C[NH+](C)CCN1CCCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000363473949 647596811 /nfs/dbraw/zinc/59/68/11/647596811.db2.gz FRUCORMYFIXRCL-UHFFFAOYSA-N 1 0 386.309 2.227 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000363483215 647596828 /nfs/dbraw/zinc/59/68/28/647596828.db2.gz GNEDSOZBODYEDQ-UHFFFAOYSA-N 1 0 394.313 2.266 20 0 GEADRO C[NH+](C)CCN1CCCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000363517946 647599002 /nfs/dbraw/zinc/59/90/02/647599002.db2.gz PNWTVENQPCILOV-UHFFFAOYSA-N 1 0 394.317 2.035 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363521398 647599127 /nfs/dbraw/zinc/59/91/27/647599127.db2.gz ZMCLPLLULSOTAG-MJBXVCDLSA-N 1 0 383.286 2.196 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1c(F)cccc1Cl ZINC000364074839 647617997 /nfs/dbraw/zinc/61/79/97/647617997.db2.gz QNHJXMHJDXYMOQ-DFBGVHRSSA-N 1 0 376.881 2.351 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000364156293 647619744 /nfs/dbraw/zinc/61/97/44/647619744.db2.gz MWPVGOMIOXYYSD-QWHCGFSZSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000364157752 647619872 /nfs/dbraw/zinc/61/98/72/647619872.db2.gz RARZHNXQLLPJAG-OCCSQVGLSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000364175789 647620847 /nfs/dbraw/zinc/62/08/47/647620847.db2.gz MZTAYQIHIXDDPP-CVEARBPZSA-N 1 0 394.313 2.312 20 0 GEADRO O=C(C[C@@H]1CCC[NH2+]CC1)NCCNC(=O)c1cccc(Br)c1 ZINC000364485116 647629243 /nfs/dbraw/zinc/62/92/43/647629243.db2.gz MWIGJVQUABBLPO-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C[C@H](O)c3cccc(Br)c3)CC2)C1 ZINC000364553244 647634908 /nfs/dbraw/zinc/63/49/08/647634908.db2.gz BHCIPHJYBGZNKX-ROUUACIJSA-N 1 0 382.346 2.194 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000364563667 647636282 /nfs/dbraw/zinc/63/62/82/647636282.db2.gz UGFSHJVJJXCDOK-UHFFFAOYSA-N 1 0 378.897 2.088 20 0 GEADRO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H](O)COc1ccccc1Br ZINC000364796932 647643355 /nfs/dbraw/zinc/64/33/55/647643355.db2.gz ILJLAUKUDPPZEE-UONOGXRCSA-N 1 0 385.302 2.085 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364798874 647643395 /nfs/dbraw/zinc/64/33/95/647643395.db2.gz LRIHBXASFUZJCJ-QWRGUYRKSA-N 1 0 388.331 2.229 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000364805244 647643755 /nfs/dbraw/zinc/64/37/55/647643755.db2.gz BANJTKCDZPDMOR-IIAWOOMASA-N 1 0 388.917 2.221 20 0 GEADRO C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@@H](C)[NH+]1CCO ZINC000364837819 647645471 /nfs/dbraw/zinc/64/54/71/647645471.db2.gz HZJWYSRGIKRRDF-PBFPGSCMSA-N 1 0 386.323 2.486 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000364872075 647646006 /nfs/dbraw/zinc/64/60/06/647646006.db2.gz MCSQBXRAIREHNS-HIFRSBDPSA-N 1 0 381.318 2.400 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000364963564 647652245 /nfs/dbraw/zinc/65/22/45/647652245.db2.gz UCNZQNOITHQJSL-KBPBESRZSA-N 1 0 384.318 2.165 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)cc1Cl ZINC000364971198 647652960 /nfs/dbraw/zinc/65/29/60/647652960.db2.gz WDDCTDXWFSPODZ-GMOODISLSA-N 1 0 377.293 2.206 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccccc3Br)CC2)C1 ZINC000365329420 647667388 /nfs/dbraw/zinc/66/73/88/647667388.db2.gz XSTCGXBXMJQZNW-INIZCTEOSA-N 1 0 395.345 2.371 20 0 GEADRO CS[C@H](CO)[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000365444626 647669343 /nfs/dbraw/zinc/66/93/43/647669343.db2.gz BPZJNNYFVNZCDW-GVAFMPQTSA-N 1 0 386.587 2.074 20 0 GEADRO CN1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(Cl)c1 ZINC000365477303 647672646 /nfs/dbraw/zinc/67/26/46/647672646.db2.gz HXEFKJGJSLTDFL-VYDXJSESSA-N 1 0 384.929 2.274 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365546928 647676230 /nfs/dbraw/zinc/67/62/30/647676230.db2.gz MYOCNFKVEXUGNY-VBNZEHGJSA-N 1 0 392.297 2.330 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC[N@@H+](CC(C)C)CC2)ccc1Br ZINC000365736899 647684508 /nfs/dbraw/zinc/68/45/08/647684508.db2.gz OWDZQCMOXKANOW-UHFFFAOYSA-N 1 0 397.317 2.281 20 0 GEADRO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000366222837 647699815 /nfs/dbraw/zinc/69/98/15/647699815.db2.gz XGTCZXZPBIFUAQ-IAGOWNOFSA-N 1 0 375.579 2.063 20 0 GEADRO O[C@@H](COCC(F)(F)F)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000366565136 647702528 /nfs/dbraw/zinc/70/25/28/647702528.db2.gz ASFNFPPMRAOFGN-GFCCVEGCSA-N 1 0 386.212 2.222 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000366566158 647703042 /nfs/dbraw/zinc/70/30/42/647703042.db2.gz KGANOFKRBNHRTK-WFASDCNBSA-N 1 0 392.297 2.060 20 0 GEADRO CS(=O)(=O)NCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000366952950 647710222 /nfs/dbraw/zinc/71/02/22/647710222.db2.gz RHMREJDSXNDXLK-HNNXBMFYSA-N 1 0 380.432 2.312 20 0 GEADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCn2c(Br)cnc2C1 ZINC000367306115 647728372 /nfs/dbraw/zinc/72/83/72/647728372.db2.gz UMLWGMRLKBCZTL-UHFFFAOYSA-N 1 0 397.317 2.023 20 0 GEADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000367647601 647742376 /nfs/dbraw/zinc/74/23/76/647742376.db2.gz BWIJYKXNAOEUHP-LLVKDONJSA-N 1 0 383.271 2.285 20 0 GEADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000368175405 647752779 /nfs/dbraw/zinc/75/27/79/647752779.db2.gz APQGJKIXQMYXAS-HZPDHXFCSA-N 1 0 388.295 2.189 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368385859 647755365 /nfs/dbraw/zinc/75/53/65/647755365.db2.gz RLLKMQDTYXQESZ-BMFZPTHFSA-N 1 0 379.913 2.066 20 0 GEADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000368577098 647759369 /nfs/dbraw/zinc/75/93/69/647759369.db2.gz USMCOZAWDSFDPV-AWEZNQCLSA-N 1 0 377.279 2.352 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3I)C[C@H]21 ZINC000368593323 647760572 /nfs/dbraw/zinc/76/05/72/647760572.db2.gz PIVIHSFCKXZTIP-SWLSCSKDSA-N 1 0 384.261 2.386 20 0 GEADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc(Br)ccc3O)C2)CC1 ZINC000369257178 647773915 /nfs/dbraw/zinc/77/39/15/647773915.db2.gz RCBJASGXOBMQFQ-ZDUSSCGKSA-N 1 0 382.302 2.053 20 0 GEADRO COC(=O)CCCS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000369445977 647778210 /nfs/dbraw/zinc/77/82/10/647778210.db2.gz KYNHJXYGCBUZDH-RHSMWYFYSA-N 1 0 388.917 2.205 20 0 GEADRO CSC[C@H](CCO)NC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000369611702 647779509 /nfs/dbraw/zinc/77/95/09/647779509.db2.gz JQUSYJNBARVORV-IVMMDQJWSA-N 1 0 386.587 2.075 20 0 GEADRO CSC[C@H](CCO)NC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000369611703 647779602 /nfs/dbraw/zinc/77/96/02/647779602.db2.gz JQUSYJNBARVORV-NOLJZWGESA-N 1 0 386.587 2.075 20 0 GEADRO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000374145487 647818702 /nfs/dbraw/zinc/81/87/02/647818702.db2.gz PYLNDZBLACIGHZ-GDBMZVCRSA-N 1 0 382.555 2.460 20 0 GEADRO O=C1N[C@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]2CO1 ZINC000374170870 647819867 /nfs/dbraw/zinc/81/98/67/647819867.db2.gz KCRITRGRGOCICN-YPMHNXCESA-N 1 0 393.241 2.429 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000374183333 647820381 /nfs/dbraw/zinc/82/03/81/647820381.db2.gz MJXZMPNIRWMLFC-UHFFFAOYSA-N 1 0 377.279 2.352 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000374184603 647820563 /nfs/dbraw/zinc/82/05/63/647820563.db2.gz ALERCTKXLMHIHQ-AWEZNQCLSA-N 1 0 376.906 2.176 20 0 GEADRO COCCC[N@@H+]1CCCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000374335458 647821627 /nfs/dbraw/zinc/82/16/27/647821627.db2.gz ZBARNFUFENPOSF-UHFFFAOYSA-N 1 0 378.897 2.353 20 0 GEADRO Cc1cc(NC(=O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000375818475 647834805 /nfs/dbraw/zinc/83/48/05/647834805.db2.gz XMNNIWADUYBPBV-IAGOWNOFSA-N 1 0 396.329 2.227 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000376406282 647844550 /nfs/dbraw/zinc/84/45/50/647844550.db2.gz HRSFWQZKDOORKL-LRDDRELGSA-N 1 0 385.917 2.410 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000376425159 647845481 /nfs/dbraw/zinc/84/54/81/647845481.db2.gz HOEIICBGTWTXNA-INIZCTEOSA-N 1 0 399.333 2.185 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCCn3cc(Br)cn3)C[C@@H]21 ZINC000376496243 647847419 /nfs/dbraw/zinc/84/74/19/647847419.db2.gz VSTFAUCRKHZWGR-ZFWWWQNUSA-N 1 0 384.322 2.161 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000376496429 647847562 /nfs/dbraw/zinc/84/75/62/647847562.db2.gz XHLGQSIHHAAYRH-OAHLLOKOSA-N 1 0 384.322 2.306 20 0 GEADRO Cc1ccc(Br)nc1C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000376959429 647851470 /nfs/dbraw/zinc/85/14/70/647851470.db2.gz YNSJSNITBPZVFS-KBPBESRZSA-N 1 0 382.302 2.383 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000376954950 647851550 /nfs/dbraw/zinc/85/15/50/647851550.db2.gz MROQBNLFGAGHCO-HNNXBMFYSA-N 1 0 395.345 2.252 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(Cc2ncc(I)s2)CC1 ZINC000377666886 647864188 /nfs/dbraw/zinc/86/41/88/647864188.db2.gz CJSBZYIGEBVAGQ-UHFFFAOYSA-N 1 0 395.310 2.026 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000378027231 647876311 /nfs/dbraw/zinc/87/63/11/647876311.db2.gz STIUDRPJQNWLCC-CYBMUJFWSA-N 1 0 386.901 2.137 20 0 GEADRO COc1ccc(Br)c(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 ZINC000378343116 647879366 /nfs/dbraw/zinc/87/93/66/647879366.db2.gz RIRNZJOPNUACOA-KRWDZBQOSA-N 1 0 396.285 2.268 20 0 GEADRO C[NH+]1CCN(C[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3Cl)C2)CC1 ZINC000378431848 647880617 /nfs/dbraw/zinc/88/06/17/647880617.db2.gz OZMDUQRQJHJTDZ-CQSZACIVSA-N 1 0 389.924 2.127 20 0 GEADRO Cc1cccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1Cl ZINC000378439804 647881103 /nfs/dbraw/zinc/88/11/03/647881103.db2.gz VEOCHMDIMOAJFL-JKSUJKDBSA-N 1 0 385.961 2.295 20 0 GEADRO COc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)nc1Br ZINC000378614579 647885527 /nfs/dbraw/zinc/88/55/27/647885527.db2.gz DJPIFJHMFOKMAW-JSGCOSHPSA-N 1 0 398.301 2.083 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000385733593 647888029 /nfs/dbraw/zinc/88/80/29/647888029.db2.gz UIXOIWMJGUDLIV-VXGBXAGGSA-N 1 0 388.249 2.241 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000385999658 647888441 /nfs/dbraw/zinc/88/84/41/647888441.db2.gz NITUJFZNVICQRJ-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000386593731 647889625 /nfs/dbraw/zinc/88/96/25/647889625.db2.gz VQMWQJZOJYWLKQ-NSHDSACASA-N 1 0 389.315 2.411 20 0 GEADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(OC)c(Br)c2)C1 ZINC000390005215 647892417 /nfs/dbraw/zinc/89/24/17/647892417.db2.gz RFAJNTFEHLIBBT-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000391406694 647893470 /nfs/dbraw/zinc/89/34/70/647893470.db2.gz HLAJTJWRESQYCN-UHFFFAOYSA-N 1 0 378.288 2.133 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1Br ZINC000397252409 647898018 /nfs/dbraw/zinc/89/80/18/647898018.db2.gz DCRFBVGOIASIOP-UTUOFQBUSA-N 1 0 391.331 2.452 20 0 GEADRO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400184481 647902211 /nfs/dbraw/zinc/90/22/11/647902211.db2.gz QWMCWPIFVIEVTQ-CQSZACIVSA-N 1 0 391.331 2.361 20 0 GEADRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000407235036 647911603 /nfs/dbraw/zinc/91/16/03/647911603.db2.gz AUZWPJIGWPJIHG-GJZGRUSLSA-N 1 0 379.302 2.023 20 0 GEADRO CC(C)CN(C)S(=O)(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000408133782 647929174 /nfs/dbraw/zinc/92/91/74/647929174.db2.gz QPPZAGGTXQTMKN-IAGOWNOFSA-N 1 0 375.579 2.030 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409687700 647978068 /nfs/dbraw/zinc/97/80/68/647978068.db2.gz PEEXQPZGUKTKRK-SZVBFZGTSA-N 1 0 392.341 2.015 20 0 GEADRO CCSc1nnc(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000409704841 647979685 /nfs/dbraw/zinc/97/96/85/647979685.db2.gz BVBPUOOSALECKJ-UHFFFAOYSA-N 1 0 381.527 2.912 20 0 GEADRO CC[N@H+](C)CCNC(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000409706516 647979696 /nfs/dbraw/zinc/97/96/96/647979696.db2.gz FFYAYRYSHUIZQN-NSHDSACASA-N 1 0 376.238 2.126 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000409721713 647981007 /nfs/dbraw/zinc/98/10/07/647981007.db2.gz HPBMZXDJFVSLCN-AWEZNQCLSA-N 1 0 387.293 2.340 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000410160891 647996048 /nfs/dbraw/zinc/99/60/48/647996048.db2.gz VJINKQJRNTZITB-ZDUSSCGKSA-N 1 0 391.331 2.314 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000411021333 648020410 /nfs/dbraw/zinc/02/04/10/648020410.db2.gz HQNYHBFVDHVIMB-INIZCTEOSA-N 1 0 396.329 2.349 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411949924 648038996 /nfs/dbraw/zinc/03/89/96/648038996.db2.gz WCPWOAVGWPOSSZ-ZFWWWQNUSA-N 1 0 396.329 2.206 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)NCc2ccc(Br)c(C)c2)CC[N@H+](C)C1 ZINC000413614015 648075473 /nfs/dbraw/zinc/07/54/73/648075473.db2.gz VYMQFHRSCPJHJK-CQSZACIVSA-N 1 0 398.301 2.004 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2CC[N@H+](C)CC[C@H]2C)c1 ZINC000413635428 648077269 /nfs/dbraw/zinc/07/72/69/648077269.db2.gz COTROGKFJDVVNJ-CYBMUJFWSA-N 1 0 387.933 2.369 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)CCc2ccc(C)cc2Br)CC[N@H+](C)C1 ZINC000413895504 648081865 /nfs/dbraw/zinc/08/18/65/648081865.db2.gz FDSPOQAZKHDMRU-HNNXBMFYSA-N 1 0 397.313 2.253 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)CCOc2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413920606 648086403 /nfs/dbraw/zinc/08/64/03/648086403.db2.gz NKDPRPFFMGFQKZ-LBPRGKRZSA-N 1 0 389.279 2.326 20 0 GEADRO Cc1nc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cs1 ZINC000414269769 648088861 /nfs/dbraw/zinc/08/88/61/648088861.db2.gz KYENIFFRGYNRRV-UHFFFAOYSA-N 1 0 390.328 2.194 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)nn1 ZINC000414345184 648097370 /nfs/dbraw/zinc/09/73/70/648097370.db2.gz DKTXLPRIRVFZBE-ZDUSSCGKSA-N 1 0 396.264 2.336 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(Br)cc1Br ZINC000414704387 648100172 /nfs/dbraw/zinc/10/01/72/648100172.db2.gz YZPBQNNAUJMYHE-SECBINFHSA-N 1 0 393.079 2.322 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414724553 648102309 /nfs/dbraw/zinc/10/23/09/648102309.db2.gz SRJIQOZWOLNLMO-NEPJUHHUSA-N 1 0 388.921 2.372 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415410481 648103029 /nfs/dbraw/zinc/10/30/29/648103029.db2.gz USRDCPPJHVDFHO-GFCCVEGCSA-N 1 0 382.302 2.456 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000415422675 648104803 /nfs/dbraw/zinc/10/48/03/648104803.db2.gz ZSXQAHVSHQYVPW-NSHDSACASA-N 1 0 380.901 2.298 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415421916 648105010 /nfs/dbraw/zinc/10/50/10/648105010.db2.gz YVGMWQRCIPVABK-SECBINFHSA-N 1 0 381.782 2.191 20 0 GEADRO COc1ccc(NC(=O)NC[C@@H]([NH3+])C(C)C)c(I)c1 ZINC000415590510 648107367 /nfs/dbraw/zinc/10/73/67/648107367.db2.gz ARUBGMUVQUCNAM-LLVKDONJSA-N 1 0 377.226 2.405 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(OC)cc1I ZINC000415590637 648107427 /nfs/dbraw/zinc/10/74/27/648107427.db2.gz BFTDLDVZWNWVOQ-SECBINFHSA-N 1 0 377.226 2.277 20 0 GEADRO COc1ccc(NC(=O)N2CCC[C@H]([NH3+])C2)c(I)c1 ZINC000415592512 648108187 /nfs/dbraw/zinc/10/81/87/648108187.db2.gz FCYKOJXHNFPEDA-VIFPVBQESA-N 1 0 375.210 2.255 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc(Br)c1F ZINC000415603932 648109800 /nfs/dbraw/zinc/10/98/00/648109800.db2.gz DRKRTBMNMASKKN-UFBFGSQYSA-N 1 0 388.237 2.494 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000415606204 648110221 /nfs/dbraw/zinc/11/02/21/648110221.db2.gz JAJSQSOCOZKPEF-QMMMGPOBSA-N 1 0 376.226 2.352 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000415604469 648110340 /nfs/dbraw/zinc/11/03/40/648110340.db2.gz FUYQEZQVFZPQFD-VIFPVBQESA-N 1 0 377.247 2.451 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415621835 648110808 /nfs/dbraw/zinc/11/08/08/648110808.db2.gz XBUPAANDBWIEPD-GZMMTYOYSA-N 1 0 379.766 2.291 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415625916 648111397 /nfs/dbraw/zinc/11/13/97/648111397.db2.gz PZFSOTLSLKTDJI-PRHODGIISA-N 1 0 388.693 2.464 20 0 GEADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415629812 648111794 /nfs/dbraw/zinc/11/17/94/648111794.db2.gz JEQKTLPJKKKCHR-MRVPVSSYSA-N 1 0 386.168 2.131 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415632041 648112291 /nfs/dbraw/zinc/11/22/91/648112291.db2.gz PTOPBAXYWFJDDD-UFBFGSQYSA-N 1 0 388.237 2.494 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415808804 648112845 /nfs/dbraw/zinc/11/28/45/648112845.db2.gz MGGXRSDKJFXYMH-RKDXNWHRSA-N 1 0 390.228 2.300 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415813349 648113779 /nfs/dbraw/zinc/11/37/79/648113779.db2.gz UEQJIYVMSNZYEM-RNFRBKRXSA-N 1 0 398.179 2.138 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415812440 648113858 /nfs/dbraw/zinc/11/38/58/648113858.db2.gz DHICIVSLCMIWIX-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(OC)c2)C1 ZINC000416411890 648117596 /nfs/dbraw/zinc/11/75/96/648117596.db2.gz BBWRDHOFUMMIJY-CQSZACIVSA-N 1 0 390.933 2.470 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1C(F)F ZINC000416415721 648119060 /nfs/dbraw/zinc/11/90/60/648119060.db2.gz URIYSZDNMPAMHI-ZDUSSCGKSA-N 1 0 376.473 2.209 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000416454883 648130211 /nfs/dbraw/zinc/13/02/11/648130211.db2.gz SZXMFFUWETZOQJ-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)CCOCC2CCCC2)C[C@@H]1[NH+]1CCCC1 ZINC000416465897 648134136 /nfs/dbraw/zinc/13/41/36/648134136.db2.gz NNDSDKRYJVYMKH-DLBZAZTESA-N 1 0 376.588 2.035 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000416490727 648146369 /nfs/dbraw/zinc/14/63/69/648146369.db2.gz WXEGIXMFXRTRGW-GXTWGEPZSA-N 1 0 386.901 2.374 20 0 GEADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000416494057 648147845 /nfs/dbraw/zinc/14/78/45/648147845.db2.gz HMYCWNXALFFIQR-SNVBAGLBSA-N 1 0 381.723 2.474 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000416493608 648148075 /nfs/dbraw/zinc/14/80/75/648148075.db2.gz FQQNTVPIBWHSMP-UHFFFAOYSA-N 1 0 387.933 2.161 20 0 GEADRO COc1cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c(OC)cc1Br ZINC000416505666 648153467 /nfs/dbraw/zinc/15/34/67/648153467.db2.gz BSUJXAGTKAFMSY-UHFFFAOYSA-N 1 0 395.319 2.085 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000416509680 648153937 /nfs/dbraw/zinc/15/39/37/648153937.db2.gz SBMIDXFRAJSAPG-UHFFFAOYSA-N 1 0 378.336 2.134 20 0 GEADRO CN1CCc2ccc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccsc3)cc21 ZINC000416550601 648168605 /nfs/dbraw/zinc/16/86/05/648168605.db2.gz FFYGFRLOELFVAA-UHFFFAOYSA-N 1 0 379.551 2.493 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1CCC(C(F)F)CC1 ZINC000416553639 648170021 /nfs/dbraw/zinc/17/00/21/648170021.db2.gz COWVQBBKSZQCKC-UHFFFAOYSA-N 1 0 378.489 2.164 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(Br)cc2C)CC[N@H+](C)C1 ZINC000416822913 648213222 /nfs/dbraw/zinc/21/32/22/648213222.db2.gz BDLLHYRNWSEEHW-GFCCVEGCSA-N 1 0 384.274 2.326 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000416837683 648214538 /nfs/dbraw/zinc/21/45/38/648214538.db2.gz XREZKILDNWHDMF-FZMZJTMJSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000416838552 648214685 /nfs/dbraw/zinc/21/46/85/648214685.db2.gz ZCUPMADPPKTIOV-WCQYABFASA-N 1 0 383.290 2.136 20 0 GEADRO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@H]1C[NH2+]CCC1(F)F ZINC000416895213 648215401 /nfs/dbraw/zinc/21/54/01/648215401.db2.gz SUZHQHFENAJWNL-ZDUSSCGKSA-N 1 0 375.803 2.298 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)CCCC[NH3+])s1 ZINC000416916616 648216452 /nfs/dbraw/zinc/21/64/52/648216452.db2.gz NMYDPTQVGRCDSU-ZDUSSCGKSA-N 1 0 390.575 2.095 20 0 GEADRO O=C(CCNC(=O)NCC[C@@H]1CCC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000417207685 648231913 /nfs/dbraw/zinc/23/19/13/648231913.db2.gz AGKBWHQFORSXMC-ZDUSSCGKSA-N 1 0 397.317 2.467 20 0 GEADRO CC1(CNC(=O)NCc2cn3cc(Br)ccc3n2)CC[NH2+]CC1 ZINC000417211541 648232504 /nfs/dbraw/zinc/23/25/04/648232504.db2.gz DVYNWAWEZHQRCU-UHFFFAOYSA-N 1 0 380.290 2.286 20 0 GEADRO COCC[NH2+]CCNC(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000417217021 648233160 /nfs/dbraw/zinc/23/31/60/648233160.db2.gz QFMVSWABMMSAIS-UHFFFAOYSA-N 1 0 384.318 2.406 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417215732 648233336 /nfs/dbraw/zinc/23/33/36/648233336.db2.gz XIFHDWRJUAKPTC-SWLSCSKDSA-N 1 0 397.317 2.090 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417225501 648234260 /nfs/dbraw/zinc/23/42/60/648234260.db2.gz NWRXXUHKFBFPNS-NEPJUHHUSA-N 1 0 383.290 2.156 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000417227796 648235224 /nfs/dbraw/zinc/23/52/24/648235224.db2.gz VPESMUZWYGGPRT-RYUDHWBXSA-N 1 0 380.290 2.366 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417230702 648235606 /nfs/dbraw/zinc/23/56/06/648235606.db2.gz WMEMTANMUXYYEW-RISCZKNCSA-N 1 0 383.290 2.075 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000417230557 648235610 /nfs/dbraw/zinc/23/56/10/648235610.db2.gz ZGROPDQCUKDWBT-NSHDSACASA-N 1 0 380.290 2.366 20 0 GEADRO C[C@@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(Br)cc1 ZINC000417309340 648239224 /nfs/dbraw/zinc/23/92/24/648239224.db2.gz JIXONEUVBAEWNT-TZMCWYRMSA-N 1 0 397.317 2.007 20 0 GEADRO C[C@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000417315973 648239228 /nfs/dbraw/zinc/23/92/28/648239228.db2.gz TXRGZDAPPAGLDO-BBRMVZONSA-N 1 0 381.318 2.199 20 0 GEADRO O=C(NCCCOc1ccc(Cl)cc1Cl)NCCCN1CC[NH2+]CC1 ZINC000417329409 648239622 /nfs/dbraw/zinc/23/96/22/648239622.db2.gz JQDNJPBNJAMSEC-UHFFFAOYSA-N 1 0 389.327 2.357 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417363717 648240388 /nfs/dbraw/zinc/24/03/88/648240388.db2.gz GRIQWQZEQJYANL-CYBMUJFWSA-N 1 0 383.290 2.137 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000417364585 648240506 /nfs/dbraw/zinc/24/05/06/648240506.db2.gz HOWOUADHBWKKFQ-OLZOCXBDSA-N 1 0 397.317 2.465 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000417363900 648240509 /nfs/dbraw/zinc/24/05/09/648240509.db2.gz DEJOECVLEXRVAU-LBPRGKRZSA-N 1 0 386.290 2.360 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417371608 648241592 /nfs/dbraw/zinc/24/15/92/648241592.db2.gz 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C[C@@H](NC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H](C)[NH3+] ZINC000417869139 648263594 /nfs/dbraw/zinc/26/35/94/648263594.db2.gz HIZHTFJYRHXDAB-IQJOONFLSA-N 1 0 379.814 2.367 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCO1 ZINC000417879411 648263955 /nfs/dbraw/zinc/26/39/55/648263955.db2.gz PPRHEYKHBSITRR-SNVBAGLBSA-N 1 0 384.210 2.464 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000417895299 648265258 /nfs/dbraw/zinc/26/52/58/648265258.db2.gz URADIBNZBGUQCR-HNNXBMFYSA-N 1 0 381.318 2.156 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417898227 648265516 /nfs/dbraw/zinc/26/55/16/648265516.db2.gz YWQVXTAGOIGUJH-ZDUSSCGKSA-N 1 0 383.334 2.402 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCc2cc(Cl)sc2Cl)C1 ZINC000417963092 648266939 /nfs/dbraw/zinc/26/69/39/648266939.db2.gz CWOBZIRARPINLE-VIFPVBQESA-N 1 0 379.313 2.051 20 0 GEADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1I ZINC000417961971 648267163 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GEADRO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000418029672 648272285 /nfs/dbraw/zinc/27/22/85/648272285.db2.gz LNWWGXUZBHUTSU-UAGQMJEPSA-N 1 0 396.329 2.040 20 0 GEADRO COC[C@@]1(CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)CCC[NH2+]1 ZINC000418039774 648273187 /nfs/dbraw/zinc/27/31/87/648273187.db2.gz UCXHOCBXQVWMLL-KRWDZBQOSA-N 1 0 395.301 2.498 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418055020 648273698 /nfs/dbraw/zinc/27/36/98/648273698.db2.gz ATHJNFRVRRVVLV-GXTWGEPZSA-N 1 0 385.295 2.492 20 0 GEADRO CCn1c(CNC(=O)NC[C@H]([NH3+])C2CC2)nc2cc(Br)ccc21 ZINC000418070526 648275086 /nfs/dbraw/zinc/27/50/86/648275086.db2.gz UMCSJGPMEHSOJF-LBPRGKRZSA-N 1 0 380.290 2.355 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000418074258 648275429 /nfs/dbraw/zinc/27/54/29/648275429.db2.gz NHDSRGQVERGTBH-CQSZACIVSA-N 1 0 375.922 2.258 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)[C@H](C)C[NH2+]1 ZINC000418079620 648276005 /nfs/dbraw/zinc/27/60/05/648276005.db2.gz LGDABNDAOQMDNH-GYSYKLTISA-N 1 0 385.295 2.491 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418085346 648276832 /nfs/dbraw/zinc/27/68/32/648276832.db2.gz XSODGSPTBQINQF-SMDDNHRTSA-N 1 0 385.295 2.350 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418086748 648277391 /nfs/dbraw/zinc/27/73/91/648277391.db2.gz DRCQBHCNBPKSGO-OAHLLOKOSA-N 1 0 380.290 2.417 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)NCc2ccc(Cl)cc2I)C1 ZINC000418091061 648278441 /nfs/dbraw/zinc/27/84/41/648278441.db2.gz PBJNHGIQAUSDQZ-JTQLQIEISA-N 1 0 379.629 2.187 20 0 GEADRO [NH3+]CC1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000418102395 648280076 /nfs/dbraw/zinc/28/00/76/648280076.db2.gz RLSQVQVNERWGIB-HNNXBMFYSA-N 1 0 381.318 2.408 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418117040 648282050 /nfs/dbraw/zinc/28/20/50/648282050.db2.gz SFWQYXQIQRRQGC-FZMZJTMJSA-N 1 0 387.265 2.273 20 0 GEADRO C[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@@H](C)C[N@@H+]1CCO ZINC000418118191 648282303 /nfs/dbraw/zinc/28/23/03/648282303.db2.gz SNQXECJYEYGORF-OLZOCXBDSA-N 1 0 384.311 2.461 20 0 GEADRO COc1cc(I)c(Cl)cc1CNC(=O)N[C@@H](C)C[NH3+] ZINC000418128351 648283499 /nfs/dbraw/zinc/28/34/99/648283499.db2.gz SMTCWYPWAYLIKT-ZETCQYMHSA-N 1 0 397.644 2.100 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(I)cc2Cl)C1 ZINC000418133101 648283688 /nfs/dbraw/zinc/28/36/88/648283688.db2.gz ZZRDTAMBRKISJH-LLVKDONJSA-N 1 0 393.656 2.448 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(I)cc1Cl ZINC000418131969 648283873 /nfs/dbraw/zinc/28/38/73/648283873.db2.gz YQPRTFYNKNPHHC-QMMMGPOBSA-N 1 0 381.645 2.339 20 0 GEADRO COC[C@]1(CNC(=O)NCc2ccc(Br)cc2OC)CCC[NH2+]1 ZINC000418143698 648284654 /nfs/dbraw/zinc/28/46/54/648284654.db2.gz MPXDKTGOWQCJMN-MRXNPFEDSA-N 1 0 386.290 2.026 20 0 GEADRO CC(C)(C[NH3+])NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418169714 648286340 /nfs/dbraw/zinc/28/63/40/648286340.db2.gz XZWDUIYCMVOMCF-UHFFFAOYSA-N 1 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O=C(NC[C@@H]1CCC[NH2+]C1)N(CCO)Cc1cc(Br)cs1 ZINC000418307197 648292126 /nfs/dbraw/zinc/29/21/26/648292126.db2.gz AGWXUHJQHVHBAL-LLVKDONJSA-N 1 0 376.320 2.014 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000418304700 648292207 /nfs/dbraw/zinc/29/22/07/648292207.db2.gz YQGNAMCCQXVDCJ-OAHLLOKOSA-N 1 0 395.345 2.201 20 0 GEADRO O=C(NC1CC[NH2+]CC1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418310894 648292413 /nfs/dbraw/zinc/29/24/13/648292413.db2.gz PZSITZXQLQFUKT-UHFFFAOYSA-N 1 0 399.308 2.167 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418337341 648293585 /nfs/dbraw/zinc/29/35/85/648293585.db2.gz IZGZFLUFZWQGTL-LBPRGKRZSA-N 1 0 385.306 2.300 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N(CCO)Cc1cccc(Br)c1 ZINC000418337859 648293770 /nfs/dbraw/zinc/29/37/70/648293770.db2.gz BZJXIJNNNZOBEQ-AWEZNQCLSA-N 1 0 384.318 2.343 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)N(CCO)Cc1ccc(Br)s1 ZINC000418344931 648294220 /nfs/dbraw/zinc/29/42/20/648294220.db2.gz SLLIAWWKGJCVNB-LLVKDONJSA-N 1 0 376.320 2.014 20 0 GEADRO C[C@@H](NC(=O)N(CCO)Cc1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000418355404 648294510 /nfs/dbraw/zinc/29/45/10/648294510.db2.gz XAQVHJSBMFIZNU-VXGBXAGGSA-N 1 0 390.347 2.403 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418359524 648294519 /nfs/dbraw/zinc/29/45/19/648294519.db2.gz FIURSGNPUFXZTE-HNNXBMFYSA-N 1 0 399.308 2.167 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418375926 648295322 /nfs/dbraw/zinc/29/53/22/648295322.db2.gz FKOIVLFAOXEGDW-NSHDSACASA-N 1 0 376.320 2.421 20 0 GEADRO [NH3+]C1CCC(NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000418379981 648295337 /nfs/dbraw/zinc/29/53/37/648295337.db2.gz DTMDSHWSUJOHMP-HTAVTVPLSA-N 1 0 376.284 2.302 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418389560 648295621 /nfs/dbraw/zinc/29/56/21/648295621.db2.gz OFCCZIBCBBJQII-CYBMUJFWSA-N 1 0 398.305 2.306 20 0 GEADRO [NH3+]C1CCC(NC(=O)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000418385894 648295782 /nfs/dbraw/zinc/29/57/82/648295782.db2.gz MACGGCCFVYCTEQ-UHFFFAOYSA-N 1 0 376.320 2.284 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000418404058 648296477 /nfs/dbraw/zinc/29/64/77/648296477.db2.gz CJDUJUQRKINPOK-GOEBONIOSA-N 1 0 384.318 2.471 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000418408019 648297028 /nfs/dbraw/zinc/29/70/28/648297028.db2.gz GIDHVURXEYRGEC-JLJPHGGASA-N 1 0 398.345 2.417 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418475521 648297410 /nfs/dbraw/zinc/29/74/10/648297410.db2.gz RCKRELNWIHXEHH-GFCCVEGCSA-N 1 0 387.297 2.010 20 0 GEADRO O=C(NCC1C[NH2+]C1)N1CCC[C@@H]1c1ccccc1I ZINC000418479391 648297441 /nfs/dbraw/zinc/29/74/41/648297441.db2.gz ALWYRTSTZFOHNC-CQSZACIVSA-N 1 0 385.249 2.357 20 0 GEADRO [NH3+][C@@H](CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)C1CC1 ZINC000418483367 648297832 /nfs/dbraw/zinc/29/78/32/648297832.db2.gz BZYOOBOOQMXUTC-AWEZNQCLSA-N 1 0 385.295 2.198 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000418503521 648298614 /nfs/dbraw/zinc/29/86/14/648298614.db2.gz YBFISNDSVSSLBF-NSHDSACASA-N 1 0 380.436 2.287 20 0 GEADRO [NH3+][C@H](CNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)C1CC1 ZINC000418503560 648298774 /nfs/dbraw/zinc/29/87/74/648298774.db2.gz YEYXMHAXEXKSKU-MRXNPFEDSA-N 1 0 399.308 2.153 20 0 GEADRO [NH3+]CCCCNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000418508191 648299222 /nfs/dbraw/zinc/29/92/22/648299222.db2.gz KECULBYIYCHUPQ-UHFFFAOYSA-N 1 0 379.814 2.324 20 0 GEADRO [NH3+]CCCCNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418516976 648299552 /nfs/dbraw/zinc/29/95/52/648299552.db2.gz YGANPQKUJOMVDZ-UHFFFAOYSA-N 1 0 384.278 2.189 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCC1 ZINC000418529852 648299929 /nfs/dbraw/zinc/29/99/29/648299929.db2.gz URYRKFKGWMIFQB-UHFFFAOYSA-N 1 0 387.347 2.219 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418535511 648300475 /nfs/dbraw/zinc/30/04/75/648300475.db2.gz ZEXIARLSPDJOPW-NSHDSACASA-N 1 0 375.336 2.075 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)N(CCO)Cc1cc(Br)ccc1F ZINC000418545695 648300888 /nfs/dbraw/zinc/30/08/88/648300888.db2.gz FWORWPSDWIOHPA-CQSZACIVSA-N 1 0 388.281 2.234 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000418570611 648302191 /nfs/dbraw/zinc/30/21/91/648302191.db2.gz CZAXEAXVEFNNTR-IMJJTQAJSA-N 1 0 384.318 2.169 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000418588901 648303601 /nfs/dbraw/zinc/30/36/01/648303601.db2.gz AFDUORUYPNNLCC-ZFWWWQNUSA-N 1 0 381.318 2.421 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000418596890 648304004 /nfs/dbraw/zinc/30/40/04/648304004.db2.gz HHWNPMCUUFBBOC-BPUTZDHNSA-N 1 0 398.345 2.348 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000418594852 648304029 /nfs/dbraw/zinc/30/40/29/648304029.db2.gz FXOSKIAOBANIEE-GRYCIOLGSA-N 1 0 376.284 2.173 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418593269 648304045 /nfs/dbraw/zinc/30/40/45/648304045.db2.gz DUBMLWWWLJAQJQ-INWMFGNUSA-N 1 0 398.345 2.348 20 0 GEADRO COCC1(CNC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000418637665 648306075 /nfs/dbraw/zinc/30/60/75/648306075.db2.gz KBNNVNUTMMSEPV-AWEZNQCLSA-N 1 0 390.311 2.342 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000418653979 648306479 /nfs/dbraw/zinc/30/64/79/648306479.db2.gz LPMUBTKNOWJSPC-CJNGLKHVSA-N 1 0 376.284 2.095 20 0 GEADRO COC[C@]1(CNC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000418651779 648306504 /nfs/dbraw/zinc/30/65/04/648306504.db2.gz HSSKDKGYHLNLGA-DOTOQJQBSA-N 1 0 390.311 2.485 20 0 GEADRO COC[C@]1(CNC(=O)N(C)Cc2cc(Br)ccc2F)CCC[NH2+]1 ZINC000418660654 648306555 /nfs/dbraw/zinc/30/65/55/648306555.db2.gz YETVZDDLDNOTMC-MRXNPFEDSA-N 1 0 388.281 2.498 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCC(=O)Nc2cccc(Br)c2)CC1 ZINC000418671110 648307007 /nfs/dbraw/zinc/30/70/07/648307007.db2.gz ROUGEVHMGSCGKP-JOCQHMNTSA-N 1 0 397.317 2.452 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000418673629 648307046 /nfs/dbraw/zinc/30/70/46/648307046.db2.gz OJAMQPALIWFSKL-CHWSQXEVSA-N 1 0 388.306 2.006 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418683456 648307264 /nfs/dbraw/zinc/30/72/64/648307264.db2.gz GIBXGIKTRDJERV-LLVKDONJSA-N 1 0 376.270 2.220 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418696738 648307729 /nfs/dbraw/zinc/30/77/29/648307729.db2.gz BBTJTVCPKURWPV-WDEREUQCSA-N 1 0 375.300 2.377 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000418717475 648307855 /nfs/dbraw/zinc/30/78/55/648307855.db2.gz JRVZCDSMSSZAIH-CZUORRHYSA-N 1 0 384.318 2.471 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418715420 648307953 /nfs/dbraw/zinc/30/79/53/648307953.db2.gz YCAZATCGQUNLDX-JTQLQIEISA-N 1 0 382.262 2.426 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418715078 648308103 /nfs/dbraw/zinc/30/81/03/648308103.db2.gz YGUWHLGNBRDGLX-DZGCQCFKSA-N 1 0 386.334 2.417 20 0 GEADRO C[C@@H](NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)[C@H](C)[NH3+] ZINC000418720496 648308344 /nfs/dbraw/zinc/30/83/44/648308344.db2.gz JXLSTXSBVQKCDE-NWDGAFQWSA-N 1 0 384.278 2.186 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418733809 648308788 /nfs/dbraw/zinc/30/87/88/648308788.db2.gz ROWKAIMXUPDPCW-LBPRGKRZSA-N 1 0 384.278 2.188 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000418752423 648309231 /nfs/dbraw/zinc/30/92/31/648309231.db2.gz BTIHGNNHQSYRRM-KRWDZBQOSA-N 1 0 393.329 2.151 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418756970 648309643 /nfs/dbraw/zinc/30/96/43/648309643.db2.gz FJRBGJDPLLJEKT-GDBMZVCRSA-N 1 0 377.897 2.427 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000418760979 648310065 /nfs/dbraw/zinc/31/00/65/648310065.db2.gz JULOUXLAESKMFT-DJSGYFEHSA-N 1 0 377.897 2.413 20 0 GEADRO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418762535 648310092 /nfs/dbraw/zinc/31/00/92/648310092.db2.gz MANRGTLLPFRARO-GDBMZVCRSA-N 1 0 377.897 2.475 20 0 GEADRO Cc1cc(CC(C)(C)NC(=O)NC[C@H]2C[NH2+]CCO2)ccc1Br ZINC000418766551 648310567 /nfs/dbraw/zinc/31/05/67/648310567.db2.gz NBZYYDGGDZSEKZ-CQSZACIVSA-N 1 0 384.318 2.366 20 0 GEADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418768581 648310914 /nfs/dbraw/zinc/31/09/14/648310914.db2.gz PBHVTXBUIXEUGX-AWEZNQCLSA-N 1 0 388.281 2.497 20 0 GEADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000418767129 648310920 /nfs/dbraw/zinc/31/09/20/648310920.db2.gz PZHKEHBLGDJLOT-STQMWFEESA-N 1 0 392.244 2.169 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418774369 648311811 /nfs/dbraw/zinc/31/18/11/648311811.db2.gz VIALMYJJENVKTM-GFCCVEGCSA-N 1 0 376.682 2.232 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1 ZINC000418789186 648312695 /nfs/dbraw/zinc/31/26/95/648312695.db2.gz LUMHFPICJQQVOF-IIAWOOMASA-N 1 0 384.318 2.027 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)C[C@H]12 ZINC000418812885 648313564 /nfs/dbraw/zinc/31/35/64/648313564.db2.gz CGXKPHHGJZCXER-APCWTUGXSA-N 1 0 382.291 2.161 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000418818790 648313947 /nfs/dbraw/zinc/31/39/47/648313947.db2.gz PBIGJJFSSDWKEY-XJKSGUPXSA-N 1 0 384.307 2.424 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)C[C@H]12 ZINC000418814104 648314007 /nfs/dbraw/zinc/31/40/07/648314007.db2.gz FPUVTXCXAZOZAF-YSUGYHDXSA-N 1 0 382.291 2.161 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418820603 648314220 /nfs/dbraw/zinc/31/42/20/648314220.db2.gz SPJIHVIFZFEBEL-PSHZPRKYSA-N 1 0 382.291 2.033 20 0 GEADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCC[NH2+]C1 ZINC000418822681 648314411 /nfs/dbraw/zinc/31/44/11/648314411.db2.gz XCTXFFSBZFNALT-JOQOYGCGSA-N 1 0 384.307 2.471 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418827024 648314832 /nfs/dbraw/zinc/31/48/32/648314832.db2.gz LGJUSAFRJAMQRU-DDUYRFODSA-N 1 0 394.313 2.150 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418827986 648315155 /nfs/dbraw/zinc/31/51/55/648315155.db2.gz MBFSCUBERJIRQN-WXYCVUISSA-N 1 0 394.313 2.055 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000418844063 648316530 /nfs/dbraw/zinc/31/65/30/648316530.db2.gz LFAIQZQWZLSXOU-IOASZLSFSA-N 1 0 396.329 2.082 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2C)CC1 ZINC000418850828 648317691 /nfs/dbraw/zinc/31/76/91/648317691.db2.gz DFCRDAZVCNCGCZ-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418856268 648318555 /nfs/dbraw/zinc/31/85/55/648318555.db2.gz OSNNXPIRMOGCBH-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Br)cc1 ZINC000418867919 648319997 /nfs/dbraw/zinc/31/99/97/648319997.db2.gz PZPCOWWSPDXZBB-SHPPOPEUSA-N 1 0 394.313 2.212 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418937257 648322430 /nfs/dbraw/zinc/32/24/30/648322430.db2.gz NZSJSWRTXYPSCN-UHFFFAOYSA-N 1 0 396.329 2.055 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C[C@@H]1[NH3+] ZINC000418933522 648322467 /nfs/dbraw/zinc/32/24/67/648322467.db2.gz IJDZSQPKSGKSMD-XFBWCDHKSA-N 1 0 394.313 2.212 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21)[C@@H]1CC[NH2+]C1 ZINC000418939139 648322980 /nfs/dbraw/zinc/32/29/80/648322980.db2.gz HDBHKVNGPJUBHS-GDBMZVCRSA-N 1 0 394.313 2.153 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc(Br)cc1)C1CCCCC1 ZINC000418943053 648323390 /nfs/dbraw/zinc/32/33/90/648323390.db2.gz YFYVTLKXAYIOTD-OAHLLOKOSA-N 1 0 382.302 2.089 20 0 GEADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)C(=O)N1CCC[NH2+]CC1 ZINC000418947520 648324039 /nfs/dbraw/zinc/32/40/39/648324039.db2.gz PTMKLZDTCBBLHU-INIZCTEOSA-N 1 0 394.313 2.228 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418951297 648324866 /nfs/dbraw/zinc/32/48/66/648324866.db2.gz XBPKTFZWWSZXQF-ZFWWWQNUSA-N 1 0 382.302 2.186 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419019075 648327659 /nfs/dbraw/zinc/32/76/59/648327659.db2.gz IVVRUUXXBQUKJE-MGPQQGTHSA-N 1 0 396.329 2.095 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419021447 648328002 /nfs/dbraw/zinc/32/80/02/648328002.db2.gz MHVJFVMXJGGAIF-CHWSQXEVSA-N 1 0 384.318 2.001 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419023678 648328269 /nfs/dbraw/zinc/32/82/69/648328269.db2.gz OZLLSLCBYLLZMR-MGPQQGTHSA-N 1 0 396.329 2.095 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419029628 648328661 /nfs/dbraw/zinc/32/86/61/648328661.db2.gz YUKYUKOVYTURBA-IOASZLSFSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419029602 648328722 /nfs/dbraw/zinc/32/87/22/648328722.db2.gz YPEJOYAELLZLKL-XNRPHZJLSA-N 1 0 396.329 2.130 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419034167 648329112 /nfs/dbraw/zinc/32/91/12/648329112.db2.gz CZUWUAMPINBKGM-SMDDNHRTSA-N 1 0 398.301 2.023 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000419046380 648329740 /nfs/dbraw/zinc/32/97/40/648329740.db2.gz PVCCWCZQXVCAPA-UHFFFAOYSA-N 1 0 380.901 2.114 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419048478 648329978 /nfs/dbraw/zinc/32/99/78/648329978.db2.gz ADUPUPBPORNHIW-XPKDYRNWSA-N 1 0 396.329 2.130 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419046783 648330086 /nfs/dbraw/zinc/33/00/86/648330086.db2.gz ZCJCVQRNENPBGD-UHFFFAOYSA-N 1 0 396.702 2.210 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419054875 648330667 /nfs/dbraw/zinc/33/06/67/648330667.db2.gz MVSVRQYBEBKRSL-CQSZACIVSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419054873 648330766 /nfs/dbraw/zinc/33/07/66/648330766.db2.gz MVDJHGHSTVZMAH-ZDUSSCGKSA-N 1 0 396.329 2.274 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419057593 648331497 /nfs/dbraw/zinc/33/14/97/648331497.db2.gz UURHZXHZOBBQLJ-OLZOCXBDSA-N 1 0 396.329 2.082 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419060625 648331816 /nfs/dbraw/zinc/33/18/16/648331816.db2.gz ZOLFHSCHSQZAMX-WDEREUQCSA-N 1 0 388.693 2.105 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419073924 648332497 /nfs/dbraw/zinc/33/24/97/648332497.db2.gz SLKNQWQQPDUKGF-ZDUSSCGKSA-N 1 0 390.709 2.208 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419088913 648333409 /nfs/dbraw/zinc/33/34/09/648333409.db2.gz CFNJLZKZEWSYIE-KDOFPFPSSA-N 1 0 382.291 2.309 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419101673 648334110 /nfs/dbraw/zinc/33/41/10/648334110.db2.gz XNWQAYWPIKLQQK-AWEZNQCLSA-N 1 0 392.352 2.442 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C1 ZINC000419106268 648334383 /nfs/dbraw/zinc/33/43/83/648334383.db2.gz OFULANMFKNGVKG-WDEREUQCSA-N 1 0 380.901 2.152 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000419121199 648334902 /nfs/dbraw/zinc/33/49/02/648334902.db2.gz ARTSWCSTUKDOQZ-ZDUSSCGKSA-N 1 0 396.329 2.474 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419125535 648335560 /nfs/dbraw/zinc/33/55/60/648335560.db2.gz JWZWDIQSXKLBAK-CVEARBPZSA-N 1 0 377.897 2.427 20 0 GEADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419128676 648335768 /nfs/dbraw/zinc/33/57/68/648335768.db2.gz WYRVDYFRGNOQCU-BLLLJJGKSA-N 1 0 377.897 2.333 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C1CC1 ZINC000419127835 648335920 /nfs/dbraw/zinc/33/59/20/648335920.db2.gz STBNUBKJJXKJHL-JKSUJKDBSA-N 1 0 377.897 2.461 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000419145548 648337242 /nfs/dbraw/zinc/33/72/42/648337242.db2.gz HMECXDMNHFUGCC-LBPRGKRZSA-N 1 0 380.286 2.052 20 0 GEADRO O=C(NCc1ccccc1Br)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419153839 648337455 /nfs/dbraw/zinc/33/74/55/648337455.db2.gz WTEGBRDGMURYEG-INIZCTEOSA-N 1 0 394.313 2.056 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000419159479 648338519 /nfs/dbraw/zinc/33/85/19/648338519.db2.gz ZGIAZDOZXBKSSW-XUJVJEKNSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1Br ZINC000419162673 648338707 /nfs/dbraw/zinc/33/87/07/648338707.db2.gz HREPJHWRVPYESJ-AWEZNQCLSA-N 1 0 396.329 2.268 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000419170281 648339256 /nfs/dbraw/zinc/33/92/56/648339256.db2.gz VVNQJHLQNCJWKS-KBPBESRZSA-N 1 0 388.295 2.012 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1Br ZINC000419179108 648339632 /nfs/dbraw/zinc/33/96/32/648339632.db2.gz CMIKMSGRHQMPFA-QWHCGFSZSA-N 1 0 396.329 2.087 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1ccc(Br)cc1)C1CCCCC1 ZINC000419186485 648340287 /nfs/dbraw/zinc/34/02/87/648340287.db2.gz IJFGRKPDBADQGO-INIZCTEOSA-N 1 0 396.329 2.132 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419184009 648340327 /nfs/dbraw/zinc/34/03/27/648340327.db2.gz CMGPSGBVQSNMOV-ZDUSSCGKSA-N 1 0 396.329 2.183 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000419189190 648340539 /nfs/dbraw/zinc/34/05/39/648340539.db2.gz PFMXDBUFFRCFCH-QWHCGFSZSA-N 1 0 396.329 2.039 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCCC[NH2+]C1CC1)c1ccccc1Br ZINC000419191369 648340704 /nfs/dbraw/zinc/34/07/04/648340704.db2.gz ROIBQOCRRUOEIX-UHFFFAOYSA-N 1 0 396.329 2.101 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCCc2ccccc2Br)CCCCCC1 ZINC000419199974 648341198 /nfs/dbraw/zinc/34/11/98/648341198.db2.gz DHVSQYCBVQEOFB-UHFFFAOYSA-N 1 0 396.329 2.276 20 0 GEADRO CCCN(C(=O)C(=O)NCc1csc(Br)c1)C1CC[NH2+]CC1 ZINC000419288863 648344804 /nfs/dbraw/zinc/34/48/04/648344804.db2.gz UCMRKJYSCPPYAN-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO CCCN(C(=O)C(=O)NCc1c(C)cc(Br)cc1C)[C@H]1CC[NH2+]C1 ZINC000419296733 648345545 /nfs/dbraw/zinc/34/55/45/648345545.db2.gz FHHFUSJMVVQTFQ-HNNXBMFYSA-N 1 0 396.329 2.283 20 0 GEADRO C[C@H](NC(=O)CN1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000419324389 648346943 /nfs/dbraw/zinc/34/69/43/648346943.db2.gz JZNXCIYKHYMJPI-ZNMIVQPWSA-N 1 0 398.345 2.013 20 0 GEADRO COc1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(Br)c1OC ZINC000419324042 648346975 /nfs/dbraw/zinc/34/69/75/648346975.db2.gz JLZDICNVJOAZGU-OLZOCXBDSA-N 1 0 387.318 2.353 20 0 GEADRO C[C@H](NC(=O)CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000419324388 648347146 /nfs/dbraw/zinc/34/71/46/648347146.db2.gz JZNXCIYKHYMJPI-KKUMJFAQSA-N 1 0 398.345 2.013 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419328520 648347765 /nfs/dbraw/zinc/34/77/65/648347765.db2.gz FUPFAANJTUUBFX-LBPRGKRZSA-N 1 0 382.917 2.098 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000419361309 648349901 /nfs/dbraw/zinc/34/99/01/648349901.db2.gz MQTXZMBNUTVNPB-CJNGLKHVSA-N 1 0 396.329 2.002 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419377718 648350907 /nfs/dbraw/zinc/35/09/07/648350907.db2.gz UJQAAXXJDMKDCG-UHFFFAOYSA-N 1 0 396.329 2.103 20 0 GEADRO C[C@@H]1CN(C(=O)NCCc2ccc(Br)s2)[C@@H](C)C[N@@H+]1CCO ZINC000419418848 648351609 /nfs/dbraw/zinc/35/16/09/648351609.db2.gz YQYVQGHKPSCCOR-NEPJUHHUSA-N 1 0 390.347 2.150 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(F)cc1Br ZINC000419433659 648352301 /nfs/dbraw/zinc/35/23/01/648352301.db2.gz INRMRWVOQYMKMB-RYUDHWBXSA-N 1 0 388.281 2.185 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419492368 648354593 /nfs/dbraw/zinc/35/45/93/648354593.db2.gz LKXZVIOERYCJFU-KGLIPLIRSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419582325 648356563 /nfs/dbraw/zinc/35/65/63/648356563.db2.gz FLPCIJIJSDFKDU-IUIKQTSFSA-N 1 0 394.313 2.281 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419584259 648356975 /nfs/dbraw/zinc/35/69/75/648356975.db2.gz IQHKZVWZIYGEIT-WBMJQRKESA-N 1 0 394.313 2.059 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)CCCCC1 ZINC000419591389 648357507 /nfs/dbraw/zinc/35/75/07/648357507.db2.gz UGYSZPCECKYLPB-OAHLLOKOSA-N 1 0 394.313 2.330 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br)[C@@H]1CCC[NH2+]C1 ZINC000419594458 648357852 /nfs/dbraw/zinc/35/78/52/648357852.db2.gz ZQTHYTNKZVWAEU-HWWQOWPSSA-N 1 0 394.313 2.057 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br)[C@H]1CCC[NH2+]C1 ZINC000419594461 648357961 /nfs/dbraw/zinc/35/79/61/648357961.db2.gz ZQTHYTNKZVWAEU-MKBNYLNASA-N 1 0 394.313 2.057 20 0 GEADRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1(C)C ZINC000419673118 648362296 /nfs/dbraw/zinc/36/22/96/648362296.db2.gz BLWPMVXVBSDDTF-BIGNPOOSSA-N 1 0 391.331 2.246 20 0 GEADRO CCCN(C(=O)C(=O)NCc1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000419698566 648366531 /nfs/dbraw/zinc/36/65/31/648366531.db2.gz ZHSLHYXDBWKXGN-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO CN1C[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)Cc2ccccc21 ZINC000419698772 648366618 /nfs/dbraw/zinc/36/66/18/648366618.db2.gz UGCRVZUOURECMF-AWEZNQCLSA-N 1 0 379.913 2.386 20 0 GEADRO CN1C[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)Cc2ccccc21 ZINC000419698774 648366698 /nfs/dbraw/zinc/36/66/98/648366698.db2.gz UGCRVZUOURECMF-CQSZACIVSA-N 1 0 379.913 2.386 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000419702265 648367386 /nfs/dbraw/zinc/36/73/86/648367386.db2.gz FKWHOXGYTKXYEG-OUAUKWLOSA-N 1 0 388.331 2.322 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000419704263 648367455 /nfs/dbraw/zinc/36/74/55/648367455.db2.gz HCQQLRKANQDERV-GMTAPVOTSA-N 1 0 388.331 2.274 20 0 GEADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419705859 648368300 /nfs/dbraw/zinc/36/83/00/648368300.db2.gz JGZJQFNXIPOQIG-RISCZKNCSA-N 1 0 377.897 2.300 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419717046 648370830 /nfs/dbraw/zinc/37/08/30/648370830.db2.gz UNRFSMDITGOUHC-QWRGUYRKSA-N 1 0 388.331 2.288 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000419727896 648371320 /nfs/dbraw/zinc/37/13/20/648371320.db2.gz MFLJKPQRNJQIDH-MFKMUULPSA-N 1 0 386.279 2.049 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CCCCC1 ZINC000419728388 648371795 /nfs/dbraw/zinc/37/17/95/648371795.db2.gz NCPDLXFOUZGVCL-LBPRGKRZSA-N 1 0 386.279 2.321 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)C1CCCC1 ZINC000419736300 648372993 /nfs/dbraw/zinc/37/29/93/648372993.db2.gz XDBQQDBRYZDXDJ-OLZOCXBDSA-N 1 0 386.279 2.177 20 0 GEADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCC[NH2+]C1 ZINC000419736894 648373341 /nfs/dbraw/zinc/37/33/41/648373341.db2.gz XOUKGEXBKRJDKM-PXAZEXFGSA-N 1 0 386.279 2.049 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419741412 648373704 /nfs/dbraw/zinc/37/37/04/648373704.db2.gz CNCCXYBWCTZTRZ-LRDDRELGSA-N 1 0 396.329 2.082 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419745111 648374264 /nfs/dbraw/zinc/37/42/64/648374264.db2.gz JVLLDFKIOUBRND-INIZCTEOSA-N 1 0 396.329 2.002 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419769423 648376855 /nfs/dbraw/zinc/37/68/55/648376855.db2.gz CLYMKSBVKIRTFY-DRZSPHRISA-N 1 0 398.301 2.021 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000419772710 648377355 /nfs/dbraw/zinc/37/73/55/648377355.db2.gz GYYOFBYUDZXVLR-ZIAGYGMSSA-N 1 0 386.265 2.009 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000419775885 648377719 /nfs/dbraw/zinc/37/77/19/648377719.db2.gz KCBXAGVCJFYKAQ-CQSZACIVSA-N 1 0 386.265 2.011 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1cc(F)cc(Br)c1 ZINC000419778841 648378303 /nfs/dbraw/zinc/37/83/03/648378303.db2.gz MVUDHRWVCPKANN-KBPBESRZSA-N 1 0 386.265 2.024 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000419785510 648378467 /nfs/dbraw/zinc/37/84/67/648378467.db2.gz WNLNHWZVVCJGFX-HUUCEWRRSA-N 1 0 398.276 2.009 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)cc3Cl)C[C@H]21 ZINC000419797032 648379681 /nfs/dbraw/zinc/37/96/81/648379681.db2.gz RIGTVQHLAOMKHO-XNRPHZJLSA-N 1 0 384.307 2.238 20 0 GEADRO CN(C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000419804346 648379930 /nfs/dbraw/zinc/37/99/30/648379930.db2.gz CZVPIIYSSLZEIJ-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000419807069 648380611 /nfs/dbraw/zinc/38/06/11/648380611.db2.gz IEWLQKLQRDYRIP-MLGOLLRUSA-N 1 0 381.270 2.254 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000419819033 648381673 /nfs/dbraw/zinc/38/16/73/648381673.db2.gz MXDUKEYVXVWZEP-OLZOCXBDSA-N 1 0 396.329 2.052 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419818189 648381916 /nfs/dbraw/zinc/38/19/16/648381916.db2.gz LFSGRIYIHUFYDX-CJNGLKHVSA-N 1 0 398.345 2.328 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)NCCCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000419836939 648384176 /nfs/dbraw/zinc/38/41/76/648384176.db2.gz YWSVUNHISTUMQV-GFCCVEGCSA-N 1 0 390.311 2.464 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000419837257 648384184 /nfs/dbraw/zinc/38/41/84/648384184.db2.gz CTGFHZYLIQJVRR-NWDGAFQWSA-N 1 0 388.295 2.087 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000419850019 648385276 /nfs/dbraw/zinc/38/52/76/648385276.db2.gz ZRIOXPWMHMXWGE-AWEZNQCLSA-N 1 0 382.291 2.477 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000419852635 648385391 /nfs/dbraw/zinc/38/53/91/648385391.db2.gz QXJRRPZNYBQBME-HNNXBMFYSA-N 1 0 398.276 2.120 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000419850438 648385426 /nfs/dbraw/zinc/38/54/26/648385426.db2.gz LNFJANZVMVKDBX-NSHDSACASA-N 1 0 386.315 2.042 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419858760 648385958 /nfs/dbraw/zinc/38/59/58/648385958.db2.gz XKUCOENFUIEYDF-MRXNPFEDSA-N 1 0 394.313 2.371 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000419868130 648386164 /nfs/dbraw/zinc/38/61/64/648386164.db2.gz HQZFFEWKRYKAKB-UHFFFAOYSA-N 1 0 396.329 2.055 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419867982 648386427 /nfs/dbraw/zinc/38/64/27/648386427.db2.gz VHZBWECKGNGRDU-CJNGLKHVSA-N 1 0 394.313 2.228 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000419890229 648386885 /nfs/dbraw/zinc/38/68/85/648386885.db2.gz IFZMAQHJVHUDDX-BLLLJJGKSA-N 1 0 375.519 2.152 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419909859 648387763 /nfs/dbraw/zinc/38/77/63/648387763.db2.gz ZKVXMMDAYIIDBR-ZFWWWQNUSA-N 1 0 396.329 2.302 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000419909793 648387769 /nfs/dbraw/zinc/38/77/69/648387769.db2.gz GTPPCDDGLUCCNB-CZUORRHYSA-N 1 0 381.929 2.072 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419911629 648388112 /nfs/dbraw/zinc/38/81/12/648388112.db2.gz KBMJGAMHHOQLJK-OLZOCXBDSA-N 1 0 394.313 2.011 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)NC[C@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000419962599 648391430 /nfs/dbraw/zinc/39/14/30/648391430.db2.gz VJFKUZNDCMUFTI-NEPJUHHUSA-N 1 0 390.311 2.320 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419969442 648392055 /nfs/dbraw/zinc/39/20/55/648392055.db2.gz CANSJRYUMUBZSS-CQSZACIVSA-N 1 0 388.281 2.036 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419972440 648392100 /nfs/dbraw/zinc/39/21/00/648392100.db2.gz YQPGNLKVNUUMCQ-MRXNPFEDSA-N 1 0 396.329 2.431 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000419978491 648392346 /nfs/dbraw/zinc/39/23/46/648392346.db2.gz ODBLFYRTOJDCIW-MNOVXSKESA-N 1 0 388.331 2.146 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000419985734 648392707 /nfs/dbraw/zinc/39/27/07/648392707.db2.gz XBNZUBQXFAKBDT-ZDUSSCGKSA-N 1 0 383.945 2.395 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@@H](C)CC[NH3+])ccc1Br ZINC000419985348 648392768 /nfs/dbraw/zinc/39/27/68/648392768.db2.gz AYZCEMAQNHDXBZ-SWLSCSKDSA-N 1 0 382.302 2.275 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000419989169 648393282 /nfs/dbraw/zinc/39/32/82/648393282.db2.gz GKEPIMKBZDUGTP-YGRLFVJLSA-N 1 0 386.265 2.105 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000419986932 648393361 /nfs/dbraw/zinc/39/33/61/648393361.db2.gz WTVDVLDWCZJCTK-BBRMVZONSA-N 1 0 377.535 2.383 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000419990257 648393561 /nfs/dbraw/zinc/39/35/61/648393561.db2.gz ZQMJAGKJDDBCCP-ZDUSSCGKSA-N 1 0 390.709 2.160 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc2c(Br)cccc2cn1 ZINC000419995360 648394215 /nfs/dbraw/zinc/39/42/15/648394215.db2.gz KFHZDGSCDZFGHZ-QGZVFWFLSA-N 1 0 380.286 2.430 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419997232 648394223 /nfs/dbraw/zinc/39/42/23/648394223.db2.gz JRWKAWBGOPQDOX-STQMWFEESA-N 1 0 382.302 2.227 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419998891 648394454 /nfs/dbraw/zinc/39/44/54/648394454.db2.gz NPXVSFBLWYLYTB-HUUCEWRRSA-N 1 0 382.302 2.212 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000420001743 648394532 /nfs/dbraw/zinc/39/45/32/648394532.db2.gz RQXINTIMYPRTEW-HNNXBMFYSA-N 1 0 379.245 2.089 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419998890 648394541 /nfs/dbraw/zinc/39/45/41/648394541.db2.gz NPXVSFBLWYLYTB-GJZGRUSLSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC000420065402 648399102 /nfs/dbraw/zinc/39/91/02/648399102.db2.gz PUHMBQLKQOSFHX-HUUCEWRRSA-N 1 0 398.276 2.105 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420069430 648399278 /nfs/dbraw/zinc/39/92/78/648399278.db2.gz HUSHCLQKYYPTFE-OAHLLOKOSA-N 1 0 382.302 2.041 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420090637 648401164 /nfs/dbraw/zinc/40/11/64/648401164.db2.gz LTGOKLOAUMDRMJ-UHFFFAOYSA-N 1 0 382.302 2.184 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2[C@H]1C ZINC000420105541 648401979 /nfs/dbraw/zinc/40/19/79/648401979.db2.gz SQVHDBUMVGIPDN-HSMVNMDESA-N 1 0 394.313 2.009 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000420112838 648402228 /nfs/dbraw/zinc/40/22/28/648402228.db2.gz BHKLBXZVXLSAPM-HNNXBMFYSA-N 1 0 384.318 2.084 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000420117820 648402728 /nfs/dbraw/zinc/40/27/28/648402728.db2.gz HSKVCCKTIUEPCY-GFCCVEGCSA-N 1 0 388.281 2.180 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000420120312 648403289 /nfs/dbraw/zinc/40/32/89/648403289.db2.gz JVHCLZDYOBSBFP-KCXAZCMYSA-N 1 0 381.929 2.213 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420138440 648405092 /nfs/dbraw/zinc/40/50/92/648405092.db2.gz WPFIIGHKSCUUNF-UHFFFAOYSA-N 1 0 388.693 2.059 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000420144509 648405333 /nfs/dbraw/zinc/40/53/33/648405333.db2.gz LOQPQUPEWCWVHN-MQIPJXDCSA-N 1 0 394.313 2.152 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000420144508 648405458 /nfs/dbraw/zinc/40/54/58/648405458.db2.gz LOQPQUPEWCWVHN-MKBNYLNASA-N 1 0 394.313 2.152 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420154605 648406591 /nfs/dbraw/zinc/40/65/91/648406591.db2.gz COZUHPRYLILMPQ-HNNXBMFYSA-N 1 0 396.329 2.302 20 0 GEADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420206501 648409126 /nfs/dbraw/zinc/40/91/26/648409126.db2.gz KEUSTOZRFIPCPB-MRVWCRGKSA-N 1 0 384.307 2.456 20 0 GEADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420217694 648409748 /nfs/dbraw/zinc/40/97/48/648409748.db2.gz MZBVEEYPXGLVJU-YPMHNXCESA-N 1 0 388.295 2.008 20 0 GEADRO Ic1ccc2ncnc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000420253416 648411700 /nfs/dbraw/zinc/41/17/00/648411700.db2.gz DNVFZAPVZGBSRK-QWRGUYRKSA-N 1 0 380.233 2.280 20 0 GEADRO C[C@H](NC(=O)CN1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350447 648413302 /nfs/dbraw/zinc/41/33/02/648413302.db2.gz SVDSKODFJCARPM-ZFWWWQNUSA-N 1 0 385.339 2.150 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NCC(=O)Nc1cccc(I)c1 ZINC000420360372 648414021 /nfs/dbraw/zinc/41/40/21/648414021.db2.gz LESVQFOPTXRESO-CYBMUJFWSA-N 1 0 387.265 2.207 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420367966 648414745 /nfs/dbraw/zinc/41/47/45/648414745.db2.gz KCTWNGHDFUAAML-GOSISDBHSA-N 1 0 380.330 2.483 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420462655 648418060 /nfs/dbraw/zinc/41/80/60/648418060.db2.gz VWFMPQJOENECCV-OUCADQQQSA-N 1 0 376.906 2.159 20 0 GEADRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)C(F)F ZINC000420463939 648418154 /nfs/dbraw/zinc/41/81/54/648418154.db2.gz OIVYPFMMSOKNFD-VIFPVBQESA-N 1 0 377.638 2.363 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420462657 648418343 /nfs/dbraw/zinc/41/83/43/648418343.db2.gz VWFMPQJOENECCV-SCRDCRAPSA-N 1 0 376.906 2.159 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000420473587 648420293 /nfs/dbraw/zinc/42/02/93/648420293.db2.gz DNVWEMOLDJUBBV-JSGCOSHPSA-N 1 0 382.917 2.440 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000420473589 648420324 /nfs/dbraw/zinc/42/03/24/648420324.db2.gz DNVWEMOLDJUBBV-TZMCWYRMSA-N 1 0 382.917 2.440 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420480513 648421378 /nfs/dbraw/zinc/42/13/78/648421378.db2.gz OYZSQVQDNLNARL-NWDGAFQWSA-N 1 0 382.507 2.293 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420480514 648421426 /nfs/dbraw/zinc/42/14/26/648421426.db2.gz OYZSQVQDNLNARL-RYUDHWBXSA-N 1 0 382.507 2.293 20 0 GEADRO CC(C)[NH+](CCNC(=O)C(=O)NCCc1cccc(Br)c1)C(C)C ZINC000420681628 648434757 /nfs/dbraw/zinc/43/47/57/648434757.db2.gz ZSHZACSKHBWMIQ-UHFFFAOYSA-N 1 0 398.345 2.343 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420743872 648447807 /nfs/dbraw/zinc/44/78/07/648447807.db2.gz WVBZXOVBQPZPAM-LLVKDONJSA-N 1 0 395.308 2.495 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)NCCc2cccc(Br)c2)CCCC1 ZINC000420804045 648456911 /nfs/dbraw/zinc/45/69/11/648456911.db2.gz QSRKBBNTGNKRAO-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1Br ZINC000421114216 648467214 /nfs/dbraw/zinc/46/72/14/648467214.db2.gz TVUCVJFHNDLZRH-NSHDSACASA-N 1 0 383.290 2.367 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421183886 648468304 /nfs/dbraw/zinc/46/83/04/648468304.db2.gz BGBFSOJHXIRBLA-ZDUSSCGKSA-N 1 0 394.313 2.281 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421227236 648474548 /nfs/dbraw/zinc/47/45/48/648474548.db2.gz PYDJEZSMIQJXFL-IUODEOHRSA-N 1 0 394.313 2.137 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000421377082 648488930 /nfs/dbraw/zinc/48/89/30/648488930.db2.gz HJIDPOZITKTIFS-CYBMUJFWSA-N 1 0 385.302 2.432 20 0 GEADRO CS(=O)(=O)c1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000421499153 648495276 /nfs/dbraw/zinc/49/52/76/648495276.db2.gz APLXXFSVAZXORZ-UHFFFAOYSA-N 1 0 379.507 2.193 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000422366680 648539993 /nfs/dbraw/zinc/53/99/93/648539993.db2.gz ZPQNFKLOXZYMOX-CYBMUJFWSA-N 1 0 398.345 2.466 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000422406696 648543911 /nfs/dbraw/zinc/54/39/11/648543911.db2.gz AVTYGYXNMMLLRI-TZMCWYRMSA-N 1 0 394.313 2.115 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422498360 648551740 /nfs/dbraw/zinc/55/17/40/648551740.db2.gz XEPSSASVTJCQLE-AWEZNQCLSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CS1 ZINC000422511853 648554127 /nfs/dbraw/zinc/55/41/27/648554127.db2.gz VJXSBRNOCHUQAB-CZUORRHYSA-N 1 0 383.945 2.240 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CS1 ZINC000422511851 648554221 /nfs/dbraw/zinc/55/42/21/648554221.db2.gz VJXSBRNOCHUQAB-BBRMVZONSA-N 1 0 383.945 2.240 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CS[C@@H](C)C1 ZINC000422531403 648557827 /nfs/dbraw/zinc/55/78/27/648557827.db2.gz OSGRBKWUWLXWCD-LSDHHAIUSA-N 1 0 383.583 2.429 20 0 GEADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@H]1C[NH3+] ZINC000422555069 648558710 /nfs/dbraw/zinc/55/87/10/648558710.db2.gz OELZFDAQHVDPJI-IJLUTSLNSA-N 1 0 381.420 2.017 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422554167 648558773 /nfs/dbraw/zinc/55/87/73/648558773.db2.gz LTJSJPHHCYJNGS-WOPDTQHZSA-N 1 0 391.331 2.452 20 0 GEADRO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422768761 648575305 /nfs/dbraw/zinc/57/53/05/648575305.db2.gz UWHNGSTWFIPSFY-KGLIPLIRSA-N 1 0 375.332 2.471 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])s1 ZINC000422961324 648578843 /nfs/dbraw/zinc/57/88/43/648578843.db2.gz YWMIWORLEMEEFK-IUODEOHRSA-N 1 0 375.560 2.014 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422970331 648579234 /nfs/dbraw/zinc/57/92/34/648579234.db2.gz GAWQPNZWHOGHSX-XJKSGUPXSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422966600 648579436 /nfs/dbraw/zinc/57/94/36/648579436.db2.gz NVIZYNPAJMUCKG-GFCCVEGCSA-N 1 0 384.307 2.395 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000423113605 648582180 /nfs/dbraw/zinc/58/21/80/648582180.db2.gz UQHMGOKRUZRPAK-INIZCTEOSA-N 1 0 394.313 2.323 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423120753 648582989 /nfs/dbraw/zinc/58/29/89/648582989.db2.gz HLPAMTKESBJHDA-CQSZACIVSA-N 1 0 382.302 2.137 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423127283 648583337 /nfs/dbraw/zinc/58/33/37/648583337.db2.gz PEGSRGVRMBLOCK-AWEZNQCLSA-N 1 0 382.302 2.008 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000423139694 648584327 /nfs/dbraw/zinc/58/43/27/648584327.db2.gz WILDQGSFEZSMRI-HNNXBMFYSA-N 1 0 384.267 2.147 20 0 GEADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423153504 648585178 /nfs/dbraw/zinc/58/51/78/648585178.db2.gz HLSUVNQWUUQHEU-VHDGCEQUSA-N 1 0 389.309 2.096 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000423165157 648586125 /nfs/dbraw/zinc/58/61/25/648586125.db2.gz AOMMDXKZGGPPJL-YJBOKZPZSA-N 1 0 394.313 2.310 20 0 GEADRO COCC[NH2+]CCN[C@H]1CCCOc2ccc(I)cc21 ZINC000423344554 648589686 /nfs/dbraw/zinc/58/96/86/648589686.db2.gz WZLAFVIZAVRALL-AWEZNQCLSA-N 1 0 390.265 2.331 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423485002 648592699 /nfs/dbraw/zinc/59/26/99/648592699.db2.gz STCVLLXTTHZTAA-LBPRGKRZSA-N 1 0 396.329 2.338 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000423517283 648594108 /nfs/dbraw/zinc/59/41/08/648594108.db2.gz XRZPKWBSZLTLQP-HNNXBMFYSA-N 1 0 398.276 2.201 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423525964 648594697 /nfs/dbraw/zinc/59/46/97/648594697.db2.gz YWNJZGNDXGMCQV-CQSZACIVSA-N 1 0 396.329 2.241 20 0 GEADRO CN1CCNC[C@H]1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423531188 648594797 /nfs/dbraw/zinc/59/47/97/648594797.db2.gz ZPKBSSJAJXKHOA-ROUUACIJSA-N 1 0 382.346 2.410 20 0 GEADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423556060 648595004 /nfs/dbraw/zinc/59/50/04/648595004.db2.gz MHNFVAZFOIGPJP-WCFLWFBJSA-N 1 0 382.291 2.117 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423550868 648595099 /nfs/dbraw/zinc/59/50/99/648595099.db2.gz BBRWSNKRSLCBFT-UGSOOPFHSA-N 1 0 394.313 2.181 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423561348 648595508 /nfs/dbraw/zinc/59/55/08/648595508.db2.gz LRZHHTKHBXRWAQ-UHFFFAOYSA-N 1 0 396.285 2.059 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000423569150 648596052 /nfs/dbraw/zinc/59/60/52/648596052.db2.gz MHVUSLNDIVFNTB-WDEREUQCSA-N 1 0 386.315 2.124 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423576917 648596649 /nfs/dbraw/zinc/59/66/49/648596649.db2.gz ROYIIVSFFODLOE-UHFFFAOYSA-N 1 0 388.693 2.011 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000423675896 648599037 /nfs/dbraw/zinc/59/90/37/648599037.db2.gz ISHBLTPIXZCNGM-SWLSCSKDSA-N 1 0 382.302 2.136 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCCOc1ccc(I)cc1 ZINC000423678264 648599375 /nfs/dbraw/zinc/59/93/75/648599375.db2.gz QVSVCWBIZSMTFV-FZMZJTMJSA-N 1 0 388.249 2.398 20 0 GEADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423689873 648599747 /nfs/dbraw/zinc/59/97/47/648599747.db2.gz ZUBFWBOMGSIZQN-OAHLLOKOSA-N 1 0 396.329 2.037 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000423699750 648599826 /nfs/dbraw/zinc/59/98/26/648599826.db2.gz QPNGOUOJDZLMOC-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000518493206 648600134 /nfs/dbraw/zinc/60/01/34/648600134.db2.gz WWCFORKUGUCQQH-JTQLQIEISA-N 1 0 385.852 2.498 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000423743610 648601209 /nfs/dbraw/zinc/60/12/09/648601209.db2.gz VMMBJTAHOUWWAD-CJNGLKHVSA-N 1 0 396.329 2.036 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000423748455 648602024 /nfs/dbraw/zinc/60/20/24/648602024.db2.gz RPQOWBDDYAOANN-CBAPKCEASA-N 1 0 377.080 2.464 20 0 GEADRO COCC[C@H](NC(=O)c1cn(CCC[NH3+])nn1)c1ccc(Cl)c(Cl)c1 ZINC000423926230 648602879 /nfs/dbraw/zinc/60/28/79/648602879.db2.gz CWDJSQXEWWVGFQ-AWEZNQCLSA-N 1 0 386.283 2.441 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)nn1 ZINC000423931303 648603614 /nfs/dbraw/zinc/60/36/14/648603614.db2.gz PWFUUMCKJXNWDH-HAQNSBGRSA-N 1 0 396.264 2.205 20 0 GEADRO COc1ccc(Br)c(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423954170 648605130 /nfs/dbraw/zinc/60/51/30/648605130.db2.gz RIEPPOGWLJUYFH-UHFFFAOYSA-N 1 0 396.329 2.404 20 0 GEADRO [NH3+]C[C@H](NC(=O)COc1cccc(I)c1)C1CCCC1 ZINC000423958691 648605643 /nfs/dbraw/zinc/60/56/43/648605643.db2.gz MJRBDWRPHLTNIL-AWEZNQCLSA-N 1 0 388.249 2.304 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000423960057 648605797 /nfs/dbraw/zinc/60/57/97/648605797.db2.gz RVAYFYGYPATBDB-NSHDSACASA-N 1 0 386.237 2.271 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C[C@@]1(C)C[NH3+] ZINC000423983379 648606834 /nfs/dbraw/zinc/60/68/34/648606834.db2.gz MMHYNOFEAWSAEE-FHSNZYRGSA-N 1 0 394.313 2.245 20 0 GEADRO Cc1c(Br)cccc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423999360 648607872 /nfs/dbraw/zinc/60/78/72/648607872.db2.gz KERKZKPMLDMVEZ-ZDUSSCGKSA-N 1 0 378.274 2.285 20 0 GEADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423997038 648607963 /nfs/dbraw/zinc/60/79/63/648607963.db2.gz HAHVOBITFSGJSM-CQSZACIVSA-N 1 0 378.274 2.285 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Br ZINC000424001121 648608588 /nfs/dbraw/zinc/60/85/88/648608588.db2.gz MULLHRMCSSFEMG-LSDHHAIUSA-N 1 0 398.301 2.217 20 0 GEADRO C[C@@H]1CCN(C(=O)COc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000424006307 648609126 /nfs/dbraw/zinc/60/91/26/648609126.db2.gz UKBMVCVEORYTQA-NEPJUHHUSA-N 1 0 388.249 2.113 20 0 GEADRO Cc1sc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000424198460 648616619 /nfs/dbraw/zinc/61/66/19/648616619.db2.gz PIMSJJWNOAZLCW-NSHDSACASA-N 1 0 384.303 2.347 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)C3(c4cccc(Br)c4)CC3)C[C@H]2[NH3+])cn1 ZINC000424221519 648620450 /nfs/dbraw/zinc/62/04/50/648620450.db2.gz CCBZAFWTZCFVIQ-JKSUJKDBSA-N 1 0 389.297 2.168 20 0 GEADRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(F)c(I)c1 ZINC000424309994 648622756 /nfs/dbraw/zinc/62/27/56/648622756.db2.gz BOKZLYUNHNOSGY-UFBFGSQYSA-N 1 0 390.196 2.228 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000424416797 648627803 /nfs/dbraw/zinc/62/78/03/648627803.db2.gz MMOWMIONPLGNAQ-VXGBXAGGSA-N 1 0 379.262 2.421 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)N1CC[NH2+]CC1 ZINC000424466308 648629615 /nfs/dbraw/zinc/62/96/15/648629615.db2.gz KWGUGQCVBNQMDE-UHFFFAOYSA-N 1 0 379.629 2.059 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424472009 648629998 /nfs/dbraw/zinc/62/99/98/648629998.db2.gz DVKKGAWAHOPWGZ-QMMMGPOBSA-N 1 0 381.645 2.339 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)NC[C@H]1CCC[NH2+]1 ZINC000424475396 648630703 /nfs/dbraw/zinc/63/07/03/648630703.db2.gz JHMXYBAZLCEWNI-GFCCVEGCSA-N 1 0 393.656 2.496 20 0 GEADRO Cc1oc(Br)cc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000424732834 648642771 /nfs/dbraw/zinc/64/27/71/648642771.db2.gz RBSJGJLSMAWHTN-OAHLLOKOSA-N 1 0 393.281 2.500 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000424741907 648643574 /nfs/dbraw/zinc/64/35/74/648643574.db2.gz RIRWSJSMPQNEAQ-CYBMUJFWSA-N 1 0 385.302 2.343 20 0 GEADRO Cc1oc(Br)cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000424752531 648644196 /nfs/dbraw/zinc/64/41/96/648644196.db2.gz XHAPBTYOXPNRDY-DOMZBBRYSA-N 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OC[C@H](C[NH2+]Cc1cnc2cnccn12)Cc1ccc(Br)cc1 ZINC000428551499 648736466 /nfs/dbraw/zinc/73/64/66/648736466.db2.gz KWMOXQMEIXKVKL-AWEZNQCLSA-N 1 0 375.270 2.433 20 0 GEADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000428594334 648740507 /nfs/dbraw/zinc/74/05/07/648740507.db2.gz DNLDZISRAWKKSA-GDBMZVCRSA-N 1 0 396.329 2.136 20 0 GEADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1[nH]nc2ccc(I)cc21 ZINC000428612320 648741164 /nfs/dbraw/zinc/74/11/64/648741164.db2.gz KREKHMXVOBSJMT-ZACCUICWSA-N 1 0 396.232 2.180 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000428620646 648741694 /nfs/dbraw/zinc/74/16/94/648741694.db2.gz LUANRBGUKIPCPX-KMFMINBZSA-N 1 0 398.345 2.382 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429120417 648745107 /nfs/dbraw/zinc/74/51/07/648745107.db2.gz GPSDYAQGDVDYKR-HNNXBMFYSA-N 1 0 387.933 2.225 20 0 GEADRO Cc1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)n(-c2cccc(Br)c2)n1 ZINC000429691951 648750266 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C[C@@H](C(=O)Nc1cccc(I)c1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430940431 648770416 /nfs/dbraw/zinc/77/04/16/648770416.db2.gz KCNJTIYQIBRRMI-UTUOFQBUSA-N 1 0 387.265 2.300 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000432831110 648781245 /nfs/dbraw/zinc/78/12/45/648781245.db2.gz STYIJTPPZHCRTC-AWEZNQCLSA-N 1 0 397.313 2.390 20 0 GEADRO O=C(CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)NCc1cccs1 ZINC000435699046 648785545 /nfs/dbraw/zinc/78/55/45/648785545.db2.gz YEUPUPKVNDOYPS-OAHLLOKOSA-N 1 0 376.551 2.465 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1csc(Br)c1 ZINC000435809550 648788341 /nfs/dbraw/zinc/78/83/41/648788341.db2.gz PPRBPFRXGYMWFT-LLVKDONJSA-N 1 0 390.347 2.497 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(n2cncn2)CC1 ZINC000438844533 648806408 /nfs/dbraw/zinc/80/64/08/648806408.db2.gz VQUGTYATEATKDH-OAHLLOKOSA-N 1 0 399.264 2.257 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000440754447 648811969 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C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C[C@H]1[NH3+] ZINC000440846260 648816212 /nfs/dbraw/zinc/81/62/12/648816212.db2.gz SWUWAHVXQSCYDV-BPLDGKMQSA-N 1 0 388.917 2.256 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@@H](C[NH3+])C1 ZINC000440849424 648816770 /nfs/dbraw/zinc/81/67/70/648816770.db2.gz RJIUFPVDLHWSGI-ZJUUUORDSA-N 1 0 397.722 2.229 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000441033104 648818808 /nfs/dbraw/zinc/81/88/08/648818808.db2.gz OANOWUWRDSKKBP-IAQYHMDHSA-N 1 0 398.301 2.195 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000441537283 648831480 /nfs/dbraw/zinc/83/14/80/648831480.db2.gz SUWLJXPHBSVCOV-GFCCVEGCSA-N 1 0 384.420 2.220 20 0 GEADRO CCCc1c(C(=O)NC[C@H](C)C[NH3+])nnn1Cc1cccc(Br)c1 ZINC000441621866 648832659 /nfs/dbraw/zinc/83/26/59/648832659.db2.gz PKQFNVQBRORXML-GFCCVEGCSA-N 1 0 394.317 2.366 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441833104 648834252 /nfs/dbraw/zinc/83/42/52/648834252.db2.gz LSIUDULXCPJDCY-UHFFFAOYSA-N 1 0 387.933 2.473 20 0 GEADRO Cn1ncc2c1CCC[C@H]2[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442868635 648851377 /nfs/dbraw/zinc/85/13/77/648851377.db2.gz OHVCGWFVYYMFPR-CQSZACIVSA-N 1 0 386.880 2.158 20 0 GEADRO Cc1cc2c(o1)c(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)ccc2Br ZINC000442940603 648854881 /nfs/dbraw/zinc/85/48/81/648854881.db2.gz VJVPMLXHARTLAZ-LBPRGKRZSA-N 1 0 380.286 2.479 20 0 GEADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000548298702 651076479 /nfs/dbraw/zinc/07/64/79/651076479.db2.gz MYQFVGFQQBVNJV-FZMZJTMJSA-N 1 0 376.678 2.299 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548370359 651078092 /nfs/dbraw/zinc/07/80/92/651078092.db2.gz MWLMTCHYEGVKLV-JTQLQIEISA-N 1 0 395.294 2.359 20 0 GEADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000548488129 651078873 /nfs/dbraw/zinc/07/88/73/651078873.db2.gz ZUMNFLHNKGSBGE-IAGOWNOFSA-N 1 0 375.579 2.111 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cc2ccccc2s1 ZINC000548504697 651078907 /nfs/dbraw/zinc/07/89/07/651078907.db2.gz ROYJCGZBKDMPSG-UHFFFAOYSA-N 1 0 383.520 2.440 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000549137687 651092507 /nfs/dbraw/zinc/09/25/07/651092507.db2.gz WWQFQQLANOJEPK-CQSZACIVSA-N 1 0 395.352 2.459 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000549725113 651099295 /nfs/dbraw/zinc/09/92/95/651099295.db2.gz UMGAYNRVLMNUSR-JTQLQIEISA-N 1 0 388.331 2.182 20 0 GEADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000549850108 651102049 /nfs/dbraw/zinc/10/20/49/651102049.db2.gz LQWHCPDVRSHYEM-AWEZNQCLSA-N 1 0 375.485 2.063 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000550375245 651110416 /nfs/dbraw/zinc/11/04/16/651110416.db2.gz CGSWZFGGHNMQLS-UONOGXRCSA-N 1 0 396.329 2.302 20 0 GEADRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000550898574 651116407 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C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)C[C@H](C)O1 ZINC000551750792 651131768 /nfs/dbraw/zinc/13/17/68/651131768.db2.gz WHJMGHQLFJXQMG-JGTCGTHISA-N 1 0 398.345 2.355 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000551854603 651134486 /nfs/dbraw/zinc/13/44/86/651134486.db2.gz YTTKBRXMYXYRSI-CJNGLKHVSA-N 1 0 396.329 2.097 20 0 GEADRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1nncn1C ZINC000552120591 651141001 /nfs/dbraw/zinc/14/10/01/651141001.db2.gz ARPUAVAVTHPBPV-UKRRQHHQSA-N 1 0 383.290 2.304 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000552193695 651143142 /nfs/dbraw/zinc/14/31/42/651143142.db2.gz XAYGWZOWOGJKQF-AWEZNQCLSA-N 1 0 394.313 2.395 20 0 GEADRO CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000552317975 651146695 /nfs/dbraw/zinc/14/66/95/651146695.db2.gz MJJMVICDUWHPTF-OAHLLOKOSA-N 1 0 390.933 2.220 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C[NH+](C)C ZINC000552578550 651152945 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CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000556647182 651249026 /nfs/dbraw/zinc/24/90/26/651249026.db2.gz YAQALDCUGJJWAV-UONOGXRCSA-N 1 0 398.345 2.343 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000556763396 651251508 /nfs/dbraw/zinc/25/15/08/651251508.db2.gz JHQBTZQAWFENKW-YESZJQIVSA-N 1 0 396.329 2.451 20 0 GEADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000556831116 651254724 /nfs/dbraw/zinc/25/47/24/651254724.db2.gz SVJLEWRNLCFSEU-INIZCTEOSA-N 1 0 385.295 2.399 20 0 GEADRO CSCCCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000557019894 651260395 /nfs/dbraw/zinc/26/03/95/651260395.db2.gz DEBNYPRKOGNJBU-OAHLLOKOSA-N 1 0 383.583 2.336 20 0 GEADRO C[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000557169784 651265591 /nfs/dbraw/zinc/26/55/91/651265591.db2.gz SVNLRGTWZOSQBI-HZSPNIEDSA-N 1 0 382.302 2.467 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000557181196 651265873 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C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000559021298 651290088 /nfs/dbraw/zinc/29/00/88/651290088.db2.gz QZEVUSYOQXUTHA-VXGBXAGGSA-N 1 0 382.452 2.085 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000559245254 651293525 /nfs/dbraw/zinc/29/35/25/651293525.db2.gz VZAWSJWMSPJIBH-HNNXBMFYSA-N 1 0 380.330 2.106 20 0 GEADRO O=C(NCCNC(=O)c1ccc2c[nH+]cn2c1)c1cccc(Br)c1 ZINC000559503292 651296808 /nfs/dbraw/zinc/29/68/08/651296808.db2.gz PFZSBVMTPXLHTN-UHFFFAOYSA-N 1 0 387.237 2.257 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000559607023 651298745 /nfs/dbraw/zinc/29/87/45/651298745.db2.gz UZUFLEIYHALTRM-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)s1 ZINC000560568954 651311632 /nfs/dbraw/zinc/31/16/32/651311632.db2.gz ALKMEPVTKJHQDP-YVECIDJPSA-N 1 0 388.559 2.009 20 0 GEADRO CO[C@H](C)[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000560574357 651311747 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20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)[C@@H]2C1 ZINC000613330800 651783407 /nfs/dbraw/zinc/78/34/07/651783407.db2.gz XRAVATFHVJXBHW-NOZJJQNGSA-N 1 0 379.258 2.197 20 0 GEADRO O=C1NCCN1C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000613378946 651784500 /nfs/dbraw/zinc/78/45/00/651784500.db2.gz FWWOTLUTIOFAHF-ZDUSSCGKSA-N 1 0 388.295 2.223 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000735501340 651784923 /nfs/dbraw/zinc/78/49/23/651784923.db2.gz JTMNDNDZBMTLSK-LBPRGKRZSA-N 1 0 383.901 2.469 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000735501339 651784956 /nfs/dbraw/zinc/78/49/56/651784956.db2.gz JTMNDNDZBMTLSK-GFCCVEGCSA-N 1 0 383.901 2.469 20 0 GEADRO CS(=O)(=O)NC1CC([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000648571079 651790565 /nfs/dbraw/zinc/79/05/65/651790565.db2.gz CNQZSKVCFOMAFA-UHFFFAOYSA-N 1 0 384.299 2.167 20 0 GEADRO C[C@@]([NH3+])(C(=O)Nc1cc([C@H]2CCCO2)[nH]n1)c1ccc(Br)cc1 ZINC000570799000 651792334 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COc1cc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)ccc1Cl ZINC000623470558 652239545 /nfs/dbraw/zinc/23/95/45/652239545.db2.gz PTHROHNWRWQSFA-LBPRGKRZSA-N 1 0 375.899 2.335 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(C)c(Br)cn2)CC1 ZINC000623491303 652240920 /nfs/dbraw/zinc/24/09/20/652240920.db2.gz NJPQSOVIZJOLKK-UHFFFAOYSA-N 1 0 390.347 2.304 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)ncc1Br ZINC000623522136 652244965 /nfs/dbraw/zinc/24/49/65/652244965.db2.gz YDWYVLSXJSATFJ-WFASDCNBSA-N 1 0 390.347 2.350 20 0 GEADRO OC/C=C\C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623563924 652246736 /nfs/dbraw/zinc/24/67/36/652246736.db2.gz NTCNBGOUTFFOFK-UPHRSURJSA-N 1 0 375.296 2.343 20 0 GEADRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)nnn1-c1cccc(Br)c1 ZINC000658259333 652248071 /nfs/dbraw/zinc/24/80/71/652248071.db2.gz LFAOEHSAYAKUPW-GWCFXTLKSA-N 1 0 378.274 2.267 20 0 GEADRO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)Sc1ccc(Br)cc1 ZINC000578172332 652250300 /nfs/dbraw/zinc/25/03/00/652250300.db2.gz WFBOBEJZQOOTKF-YPMHNXCESA-N 1 0 388.331 2.217 20 0 GEADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000623619132 652250747 /nfs/dbraw/zinc/25/07/47/652250747.db2.gz TYTRPKHHQHHJNI-INIZCTEOSA-N 1 0 391.313 2.427 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1C ZINC000623645027 652251296 /nfs/dbraw/zinc/25/12/96/652251296.db2.gz KPDZDMXIIFMPPT-GOSISDBHSA-N 1 0 393.329 2.258 20 0 GEADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000578191036 652251900 /nfs/dbraw/zinc/25/19/00/652251900.db2.gz OEEQCZCCNBUPLD-WBMJQRKESA-N 1 0 377.242 2.115 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1C(F)(F)F ZINC000578236385 652255239 /nfs/dbraw/zinc/25/52/39/652255239.db2.gz NSOKHODZPRYIMV-SNVBAGLBSA-N 1 0 382.404 2.144 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1COCCN1C ZINC000623711361 652255447 /nfs/dbraw/zinc/25/54/47/652255447.db2.gz BXHLAVCSLBUHJN-QGZVFWFLSA-N 1 0 379.302 2.363 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(F)c(Br)c1F)[C@H]1CC[N@H+](C)C1 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2.244 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000623837765 652263889 /nfs/dbraw/zinc/26/38/89/652263889.db2.gz SWESHYMKCZRHQA-KRWDZBQOSA-N 1 0 379.302 2.099 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCN1CC[C@H](O)C1 ZINC000623836797 652264243 /nfs/dbraw/zinc/26/42/43/652264243.db2.gz KCMPNSJEZUETHI-KRWDZBQOSA-N 1 0 393.329 2.408 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c(Br)c1 ZINC000658399367 652265233 /nfs/dbraw/zinc/26/52/33/652265233.db2.gz WPPIATGPOYBDER-MNOVXSKESA-N 1 0 377.304 2.206 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000658399116 652265283 /nfs/dbraw/zinc/26/52/83/652265283.db2.gz LTUFDRUGPCGOLP-PWSUYJOCSA-N 1 0 389.905 2.055 20 0 GEADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1ccc(Br)cc1C(F)(F)F ZINC000658405489 652266535 /nfs/dbraw/zinc/26/65/35/652266535.db2.gz JNSWJFNIRSAULQ-UHFFFAOYSA-N 1 0 399.232 2.498 20 0 GEADRO CN(C)S(=O)(=O)CCC[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749802267 652266890 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O=C(NCC[N@@H+]1CCCOCC1)NCc1cc(F)c(Br)cc1F ZINC000624115286 652271446 /nfs/dbraw/zinc/27/14/46/652271446.db2.gz RQMHNRDRTFJUPY-UHFFFAOYSA-N 1 0 392.244 2.249 20 0 GEADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc2ccc(Br)cc2[nH]1 ZINC000578464354 652275376 /nfs/dbraw/zinc/27/53/76/652275376.db2.gz PLGQCTMEPJAWCU-QGZVFWFLSA-N 1 0 378.270 2.117 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(F)cc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000658461719 652275542 /nfs/dbraw/zinc/27/55/42/652275542.db2.gz DUFIVXLOOLZWIX-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000624380883 652285816 /nfs/dbraw/zinc/28/58/16/652285816.db2.gz VZGKNUSDYZPKAJ-AWEZNQCLSA-N 1 0 389.315 2.411 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1N(C)C ZINC000624390780 652287118 /nfs/dbraw/zinc/28/71/18/652287118.db2.gz IFHMUKSMYZTTMN-JSGCOSHPSA-N 1 0 379.448 2.209 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000624391008 652287639 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1 0 391.337 2.248 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000624394208 652289612 /nfs/dbraw/zinc/28/96/12/652289612.db2.gz XOOQOMPNIWGDSC-FPMFFAJLSA-N 1 0 376.906 2.173 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000624394187 652289777 /nfs/dbraw/zinc/28/97/77/652289777.db2.gz XCZOUTCZSMAFHL-UONOGXRCSA-N 1 0 397.324 2.437 20 0 GEADRO OCCN1CCCC[C@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000578748977 652290542 /nfs/dbraw/zinc/29/05/42/652290542.db2.gz KQVHGZQHPQSBFN-KBPBESRZSA-N 1 0 377.312 2.170 20 0 GEADRO C[C@@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)CN1CCOCC1 ZINC000578759623 652291113 /nfs/dbraw/zinc/29/11/13/652291113.db2.gz AOSVLNOYMBMWNR-ZFWWWQNUSA-N 1 0 377.312 2.291 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000750360072 652291203 /nfs/dbraw/zinc/29/12/03/652291203.db2.gz WSINODMVDWKZND-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(Br)c(F)c1)C2 ZINC000624411914 652291495 /nfs/dbraw/zinc/29/14/95/652291495.db2.gz ZINJACHWDZCRDB-OKILXGFUSA-N 1 0 377.279 2.208 20 0 GEADRO O=C(C(=O)N1CCc2sc(Cl)cc2C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000578770408 652292861 /nfs/dbraw/zinc/29/28/61/652292861.db2.gz RVZJWLPKSPMZSO-UHFFFAOYSA-N 1 0 381.929 2.278 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1Cl ZINC000624414999 652293040 /nfs/dbraw/zinc/29/30/40/652293040.db2.gz NYZCQOYWOWFBEB-TVQRCGJNSA-N 1 0 383.297 2.047 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)CCOCC(F)(F)F ZINC000578803461 652294894 /nfs/dbraw/zinc/29/48/94/652294894.db2.gz XUXLYEZCHULXBB-UHFFFAOYSA-N 1 0 386.411 2.098 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)cn1 ZINC000658622441 652297059 /nfs/dbraw/zinc/29/70/59/652297059.db2.gz MYGRXYYBPIKDCV-UHFFFAOYSA-N 1 0 384.267 2.006 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cn1 ZINC000578829961 652297206 /nfs/dbraw/zinc/29/72/06/652297206.db2.gz ZDDDZXIJLUUCRU-LLVKDONJSA-N 1 0 376.320 2.166 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)COCc2cccs2)cc1 ZINC000578860823 652299653 /nfs/dbraw/zinc/29/96/53/652299653.db2.gz OGFFOXALVIXGTR-HZPDHXFCSA-N 1 0 383.535 2.386 20 0 GEADRO CCOC1(CS(=O)(=O)NCCC[N@H+](C)C2CCCCC2)CCOCC1 ZINC000624829358 652305720 /nfs/dbraw/zinc/30/57/20/652305720.db2.gz MHOVAKMVKFLELY-UHFFFAOYSA-N 1 0 376.563 2.146 20 0 GEADRO COCC[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000579008224 652310789 /nfs/dbraw/zinc/31/07/89/652310789.db2.gz MNTLLMQKSQQYHL-KGLIPLIRSA-N 1 0 377.268 2.468 20 0 GEADRO COCC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000579008222 652310979 /nfs/dbraw/zinc/31/09/79/652310979.db2.gz MNTLLMQKSQQYHL-KBPBESRZSA-N 1 0 377.268 2.468 20 0 GEADRO CS(=O)(=O)Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000579022954 652312034 /nfs/dbraw/zinc/31/20/34/652312034.db2.gz GDDQODJFXVKBHB-QGZVFWFLSA-N 1 0 382.551 2.387 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCS1)c1ccc(Cl)cc1 ZINC000579034920 652313032 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Cc1ccc2c(c1Br)CN(C(=O)C(=O)N(C)CC[NH+]1CCCC1)C2 ZINC000658912771 652330703 /nfs/dbraw/zinc/33/07/03/652330703.db2.gz JKFRJYWLRJGGPD-UHFFFAOYSA-N 1 0 394.313 2.154 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000579329429 652331149 /nfs/dbraw/zinc/33/11/49/652331149.db2.gz JZCOGFCIASLMIX-PWSUYJOCSA-N 1 0 379.262 2.279 20 0 GEADRO NC(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625203249 652331664 /nfs/dbraw/zinc/33/16/64/652331664.db2.gz FRJFBWPBEGFKEN-XHDPSFHLSA-N 1 0 380.286 2.290 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N(C)CCC[NH+](C)C)C2 ZINC000658914487 652331759 /nfs/dbraw/zinc/33/17/59/652331759.db2.gz ZSKMJAXHHBZVQG-UHFFFAOYSA-N 1 0 382.302 2.010 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000579333700 652331823 /nfs/dbraw/zinc/33/18/23/652331823.db2.gz WHDMZDSHKOGWJP-LRDDRELGSA-N 1 0 395.345 2.275 20 0 GEADRO COc1cc(OC)c(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1Br ZINC000659009554 652337277 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CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC[NH2+]1 ZINC000659084914 652341604 /nfs/dbraw/zinc/34/16/04/652341604.db2.gz BXJLBDBKBJKSHE-LLVKDONJSA-N 1 0 390.228 2.122 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000625294079 652341523 /nfs/dbraw/zinc/34/15/23/652341523.db2.gz HSVZRSLVBWGCLM-NSHDSACASA-N 1 0 382.404 2.212 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659087021 652342118 /nfs/dbraw/zinc/34/21/18/652342118.db2.gz NARANICITBMUDR-NSHDSACASA-N 1 0 382.302 2.317 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659089715 652343165 /nfs/dbraw/zinc/34/31/65/652343165.db2.gz CHYGKHIUFZYGOS-CYBMUJFWSA-N 1 0 395.301 2.021 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659102528 652344000 /nfs/dbraw/zinc/34/40/00/652344000.db2.gz ZAXIBVJGBMYHDM-UHFFFAOYSA-N 1 0 386.677 2.299 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659107045 652344522 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20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C[NH2+]1 ZINC000627483403 652429930 /nfs/dbraw/zinc/42/99/30/652429930.db2.gz DWVQTMZHUDGMIQ-WQVCFCJDSA-N 1 0 394.313 2.369 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627484072 652429939 /nfs/dbraw/zinc/42/99/39/652429939.db2.gz QJTMQGNWJNSYKG-IUODEOHRSA-N 1 0 382.302 2.054 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)C1 ZINC000661427835 652431549 /nfs/dbraw/zinc/43/15/49/652431549.db2.gz JSMWTTCQJQSHII-AEFFLSMTSA-N 1 0 386.945 2.303 20 0 GEADRO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000582026519 652432277 /nfs/dbraw/zinc/43/22/77/652432277.db2.gz KOZCWLFGTZJWSY-ZFWWWQNUSA-N 1 0 389.233 2.352 20 0 GEADRO OC[C@H]([NH2+]Cc1nc(-c2ccc(Br)s2)no1)C1CCOCC1 ZINC000582023016 652432310 /nfs/dbraw/zinc/43/23/10/652432310.db2.gz PZGDNOBEFOWVHS-JTQLQIEISA-N 1 0 388.287 2.438 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000582062040 652433682 /nfs/dbraw/zinc/43/36/82/652433682.db2.gz MKLFBJZOERDPPT-NSHDSACASA-N 1 0 396.285 2.069 20 0 GEADRO O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000661601756 652434899 /nfs/dbraw/zinc/43/48/99/652434899.db2.gz RQLHZUABSVBOFV-HIFRSBDPSA-N 1 0 384.307 2.253 20 0 GEADRO C[C@@H]1C[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@@H](C)C1O ZINC000661621008 652435533 /nfs/dbraw/zinc/43/55/33/652435533.db2.gz CFQQRGSSBHPFDS-GYSYKLTISA-N 1 0 376.266 2.277 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCCc3cc(Cl)sc3Cl)CCN2C1=O ZINC000582133454 652437061 /nfs/dbraw/zinc/43/70/61/652437061.db2.gz XECPCTKYJIRTES-WDEREUQCSA-N 1 0 376.309 2.148 20 0 GEADRO COC(=O)C[C@](C)(NC[C@H](O)C[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000582150503 652437391 /nfs/dbraw/zinc/43/73/91/652437391.db2.gz DKWQLWJJTOIQPQ-WMZOPIPTSA-N 1 0 399.329 2.272 20 0 GEADRO CCC1(CC)CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000661677075 652437601 /nfs/dbraw/zinc/43/76/01/652437601.db2.gz LRSBFFNLLVOWGU-UHFFFAOYSA-N 1 0 375.579 2.065 20 0 GEADRO COC(=O)C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)C1CC1 ZINC000754540494 652438188 /nfs/dbraw/zinc/43/81/88/652438188.db2.gz QELATDXLMHHLCI-ZDUSSCGKSA-N 1 0 389.315 2.400 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)CCCO1 ZINC000582171518 652438433 /nfs/dbraw/zinc/43/84/33/652438433.db2.gz JVGLZRPHHJUQHL-IINYFYTJSA-N 1 0 386.265 2.335 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@@H]1CCCOC1 ZINC000754564977 652438709 /nfs/dbraw/zinc/43/87/09/652438709.db2.gz HOKFZNHXCCUICH-VXGBXAGGSA-N 1 0 376.425 2.026 20 0 GEADRO O=S(=O)(Cc1cccc(Br)c1)NCCC[NH2+]Cc1cccnc1 ZINC000582183833 652439370 /nfs/dbraw/zinc/43/93/70/652439370.db2.gz BOPMFWREGCHYIJ-UHFFFAOYSA-N 1 0 398.326 2.443 20 0 GEADRO C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000661772079 652439629 /nfs/dbraw/zinc/43/96/29/652439629.db2.gz HEXWIKBGXLDGBW-XJKSGUPXSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000661772078 652439716 /nfs/dbraw/zinc/43/97/16/652439716.db2.gz HEXWIKBGXLDGBW-CZUORRHYSA-N 1 0 385.302 2.132 20 0 GEADRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)cn1 ZINC000661783174 652440027 /nfs/dbraw/zinc/44/00/27/652440027.db2.gz LCSPZRDCVTZPIR-RHSMWYFYSA-N 1 0 382.917 2.222 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)ccc1Br ZINC000627828396 652440200 /nfs/dbraw/zinc/44/02/00/652440200.db2.gz ZRLPHUFPNUVXBU-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000754671340 652441853 /nfs/dbraw/zinc/44/18/53/652441853.db2.gz QEDHVRQVRPYHEG-NSHDSACASA-N 1 0 383.495 2.002 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1nc2c(s1)CSCC2 ZINC000627907570 652442094 /nfs/dbraw/zinc/44/20/94/652442094.db2.gz BIUVOCDFJWTKLK-GFCCVEGCSA-N 1 0 380.539 2.004 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000627908341 652442120 /nfs/dbraw/zinc/44/21/20/652442120.db2.gz VATHVXBBRYOMBW-SNVBAGLBSA-N 1 0 376.404 2.234 20 0 GEADRO Cc1cc(Br)c(F)c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000627921579 652442816 /nfs/dbraw/zinc/44/28/16/652442816.db2.gz GURWTOBQVLFWLF-NSHDSACASA-N 1 0 386.265 2.089 20 0 GEADRO O=C(C[N@H+](CCN1CCOCC1)CC1CC1)Nc1ccc(Br)cc1 ZINC000661974783 652443733 /nfs/dbraw/zinc/44/37/33/652443733.db2.gz ZTHDLRLGMYTJHH-UHFFFAOYSA-N 1 0 396.329 2.432 20 0 GEADRO CCCN(C(=O)[C@H](C)[NH2+][C@H](C)C1CCC(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000662001184 652444613 /nfs/dbraw/zinc/44/46/13/652444613.db2.gz SPZWXIKINVIRQE-RNONSGAXSA-N 1 0 376.538 2.307 20 0 GEADRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000662017230 652445550 /nfs/dbraw/zinc/44/55/50/652445550.db2.gz OWYUIVDKKYHKND-STQMWFEESA-N 1 0 390.311 2.421 20 0 GEADRO COc1cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)ccc1Br ZINC000628051374 652447539 /nfs/dbraw/zinc/44/75/39/652447539.db2.gz DKKARKKSJVYPBA-ZDUSSCGKSA-N 1 0 386.334 2.460 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(Cc3nnc(-c4ccc(Br)o4)o3)CC2)C1 ZINC000662156362 652449385 /nfs/dbraw/zinc/44/93/85/652449385.db2.gz LDXLZKDCAVHUMR-LBPRGKRZSA-N 1 0 397.273 2.123 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662158858 652449502 /nfs/dbraw/zinc/44/95/02/652449502.db2.gz VHNFGRZKFXOHJG-GUYCJALGSA-N 1 0 396.329 2.307 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000628082503 652449708 /nfs/dbraw/zinc/44/97/08/652449708.db2.gz XFGKYLGWBKPZOX-UHFFFAOYSA-N 1 0 379.810 2.451 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C(=S)NCC[NH+](C)C ZINC000754857738 652449738 /nfs/dbraw/zinc/44/97/38/652449738.db2.gz OWHODOTULYRBSC-UHFFFAOYSA-N 1 0 380.377 2.395 20 0 GEADRO COc1cc(NC(=O)C(=O)NCC2(SC)CC[NH+](C)CC2)ccc1Cl ZINC000582457588 652450885 /nfs/dbraw/zinc/45/08/85/652450885.db2.gz WJYPNCLCFSARLF-UHFFFAOYSA-N 1 0 385.917 2.231 20 0 GEADRO CO[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000628121689 652451942 /nfs/dbraw/zinc/45/19/42/652451942.db2.gz RJPPMNPDKMVZAX-KRWDZBQOSA-N 1 0 397.313 2.460 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124414 652452012 /nfs/dbraw/zinc/45/20/12/652452012.db2.gz GONKGMIQXCNYKF-UHFFFAOYSA-N 1 0 385.277 2.454 20 0 GEADRO Cc1cc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)ncc1Br ZINC000628139070 652452859 /nfs/dbraw/zinc/45/28/59/652452859.db2.gz VSHNHKAZYLWXSR-CQSZACIVSA-N 1 0 390.347 2.446 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250117 652454223 /nfs/dbraw/zinc/45/42/23/652454223.db2.gz YHACZYUDRGBIMC-AWEZNQCLSA-N 1 0 382.302 2.149 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)NCc2cc(Br)cs2)CC1 ZINC000582549888 652454935 /nfs/dbraw/zinc/45/49/35/652454935.db2.gz HBLHZHVFDJXLKA-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)n2)s1 ZINC000582549870 652455070 /nfs/dbraw/zinc/45/50/70/652455070.db2.gz GITZPOFILMTOLP-SECBINFHSA-N 1 0 381.527 2.278 20 0 GEADRO COC[C@@]1(CNC(=O)CSc2ncnc3sc(C)c(C)c32)CCC[NH2+]1 ZINC000582545556 652455080 /nfs/dbraw/zinc/45/50/80/652455080.db2.gz RAKCGTHLXPGHJK-KRWDZBQOSA-N 1 0 380.539 2.285 20 0 GEADRO CN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@@H](C[NH3+])C(F)(F)F ZINC000662332884 652456342 /nfs/dbraw/zinc/45/63/42/652456342.db2.gz YSJLNYPFDJVZJO-JTQLQIEISA-N 1 0 377.367 2.251 20 0 GEADRO C[C@H](NC(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)c1ccc(Br)cc1 ZINC000662332193 652456353 /nfs/dbraw/zinc/45/63/53/652456353.db2.gz VLQPLBTXJIPTSF-JOYOIKCWSA-N 1 0 382.224 2.448 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](N)c2ccccc2Br)C[C@H](C)O1 ZINC000662368021 652457468 /nfs/dbraw/zinc/45/74/68/652457468.db2.gz KANGEWMRGFLGMS-DVOMOZLQSA-N 1 0 384.318 2.064 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](N)c2ccccc2Br)C[C@H](C)O1 ZINC000662368024 652457620 /nfs/dbraw/zinc/45/76/20/652457620.db2.gz KANGEWMRGFLGMS-ZENOOKHLSA-N 1 0 384.318 2.064 20 0 GEADRO O=C(NC[C@H](n1cccn1)C(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000628330325 652457703 /nfs/dbraw/zinc/45/77/03/652457703.db2.gz YOXHBMBNMFDKAC-KGLIPLIRSA-N 1 0 376.448 2.320 20 0 GEADRO O=C(NCC/C=C/c1ccc(Br)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000628335022 652457969 /nfs/dbraw/zinc/45/79/69/652457969.db2.gz DDWBXSIWIHTBDY-XMUUHYKESA-N 1 0 378.314 2.359 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)[C@H](NC)c2cccc(Cl)c2Cl)CC1 ZINC000662383819 652458421 /nfs/dbraw/zinc/45/84/21/652458421.db2.gz FLTNGIDGQLDBPM-QGZVFWFLSA-N 1 0 387.355 2.398 20 0 GEADRO N[C@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1Br ZINC000662397624 652459074 /nfs/dbraw/zinc/45/90/74/652459074.db2.gz IVHYLNPWUYHFQF-INIZCTEOSA-N 1 0 377.286 2.140 20 0 GEADRO O=C(NCCOc1cccc(Br)c1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662399781 652459106 /nfs/dbraw/zinc/45/91/06/652459106.db2.gz BVBKKRHDCHIYBF-LLVKDONJSA-N 1 0 379.258 2.058 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000662399856 652459159 /nfs/dbraw/zinc/45/91/59/652459159.db2.gz WIWGVUVAOWTCGK-AWEZNQCLSA-N 1 0 388.295 2.030 20 0 GEADRO NC(=O)[C@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1cccc(Br)c1 ZINC000662422903 652460094 /nfs/dbraw/zinc/46/00/94/652460094.db2.gz BDNKIEWGRXDAEN-CQSZACIVSA-N 1 0 394.294 2.113 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000582715235 652460249 /nfs/dbraw/zinc/46/02/49/652460249.db2.gz ADZPIRMNJPVBDE-HIFRSBDPSA-N 1 0 381.318 2.408 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cs1 ZINC000582716502 652460265 /nfs/dbraw/zinc/46/02/65/652460265.db2.gz UYCNVHHADXKUAN-UHFFFAOYSA-N 1 0 386.470 2.214 20 0 GEADRO CC[NH+]1CCN(CCC(=O)NCc2nc3cc(Br)ccc3o2)CC1 ZINC000582721899 652460530 /nfs/dbraw/zinc/46/05/30/652460530.db2.gz ZIKWJZQEKNJOMH-UHFFFAOYSA-N 1 0 395.301 2.234 20 0 GEADRO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCc2c(Br)cccc2C1 ZINC000662431224 652460557 /nfs/dbraw/zinc/46/05/57/652460557.db2.gz BBKJJZWRJJYUDW-UHFFFAOYSA-N 1 0 390.285 2.164 20 0 GEADRO CC(C)C[C@H](C[NH3+])CC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000662431824 652460609 /nfs/dbraw/zinc/46/06/09/652460609.db2.gz HQUBSMQULMCVEX-ZDUSSCGKSA-N 1 0 384.318 2.306 20 0 GEADRO CCc1nn(C)c(Cl)c1C[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000755220787 652460606 /nfs/dbraw/zinc/46/06/06/652460606.db2.gz RRRMQDIREABKSK-UHFFFAOYSA-N 1 0 376.954 2.318 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2([NH2+]C3CC3)CCC2)s1 ZINC000662459129 652462148 /nfs/dbraw/zinc/46/21/48/652462148.db2.gz VHVXXKNNBMRIQR-UHFFFAOYSA-N 1 0 385.555 2.070 20 0 GEADRO O=C(NCc1ccccc1Br)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662468981 652462959 /nfs/dbraw/zinc/46/29/59/652462959.db2.gz WETFZZJMIJXTIJ-ZDUSSCGKSA-N 1 0 378.274 2.285 20 0 GEADRO C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000662486023 652463641 /nfs/dbraw/zinc/46/36/41/652463641.db2.gz UXARYFDQHBUWTE-NEPJUHHUSA-N 1 0 393.285 2.446 20 0 GEADRO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(C)c1Br ZINC000628584920 652463974 /nfs/dbraw/zinc/46/39/74/652463974.db2.gz MFIHOYHIYLSWLM-AWEZNQCLSA-N 1 0 382.302 2.136 20 0 GEADRO Cc1cc(C)c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(C)c1Br ZINC000628585353 652464028 /nfs/dbraw/zinc/46/40/28/652464028.db2.gz BHOYQVJETVLMBQ-AWEZNQCLSA-N 1 0 396.329 2.444 20 0 GEADRO O=C(NCc1csc(Br)c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662501675 652464864 /nfs/dbraw/zinc/46/48/64/652464864.db2.gz LMAWFFLUXRKSFS-NSHDSACASA-N 1 0 384.303 2.347 20 0 GEADRO O=C(NCc1ccc(F)cc1Br)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662514881 652465687 /nfs/dbraw/zinc/46/56/87/652465687.db2.gz CUCSYCFKTVSZRX-ZDUSSCGKSA-N 1 0 396.264 2.424 20 0 GEADRO O=C(Cc1c(Cl)cccc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662519709 652465714 /nfs/dbraw/zinc/46/57/14/652465714.db2.gz XLUFJYXHDBHPIF-LBPRGKRZSA-N 1 0 386.721 2.151 20 0 GEADRO CC[C@H]([NH2+]C)C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000662527627 652466193 /nfs/dbraw/zinc/46/61/93/652466193.db2.gz DKOFGSUDHDRYNP-ZDUSSCGKSA-N 1 0 381.274 2.241 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCN[C@H](c2ccccc2)C1 ZINC000582948695 652468195 /nfs/dbraw/zinc/46/81/95/652468195.db2.gz JFGHQXKRMZLRAM-KRWDZBQOSA-N 1 0 378.881 2.287 20 0 GEADRO N[C@H](C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1Br ZINC000662574194 652468463 /nfs/dbraw/zinc/46/84/63/652468463.db2.gz JFLYRLZPNZGVRB-IKGGRYGDSA-N 1 0 396.329 2.194 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000662610290 652469316 /nfs/dbraw/zinc/46/93/16/652469316.db2.gz LCPIDVHNDMDDFA-UHFFFAOYSA-N 1 0 391.331 2.199 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000628738227 652469533 /nfs/dbraw/zinc/46/95/33/652469533.db2.gz DKECTPGVVBVRDR-CQSZACIVSA-N 1 0 396.329 2.417 20 0 GEADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662622735 652469647 /nfs/dbraw/zinc/46/96/47/652469647.db2.gz DSTMIRJQRDPQPN-SNVBAGLBSA-N 1 0 396.310 2.393 20 0 GEADRO Cn1c(SCC(=O)NC[C@@H]2CCCC[N@H+](C)C2)nnc1-c1cccs1 ZINC000628756898 652469870 /nfs/dbraw/zinc/46/98/70/652469870.db2.gz XEVUDKTUOZEZMC-ZDUSSCGKSA-N 1 0 379.555 2.484 20 0 GEADRO C[C@H](NC(=O)C1(O)C[NH2+]C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000662642048 652470002 /nfs/dbraw/zinc/47/00/02/652470002.db2.gz KWYKEGBPJNHNDB-VIFPVBQESA-N 1 0 382.283 2.084 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662642792 652470029 /nfs/dbraw/zinc/47/00/29/652470029.db2.gz GLZIEICLUOMROI-DOMZBBRYSA-N 1 0 375.778 2.104 20 0 GEADRO Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662643056 652470033 /nfs/dbraw/zinc/47/00/33/652470033.db2.gz CSXMTKVWJLMODO-JTQLQIEISA-N 1 0 396.310 2.393 20 0 GEADRO COc1ccnc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1F ZINC000662669106 652470361 /nfs/dbraw/zinc/47/03/61/652470361.db2.gz VHDTXVSCEPHXPL-MRXNPFEDSA-N 1 0 382.233 2.482 20 0 GEADRO O=C(N1CCN(c2ccc(Br)cn2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662676210 652470457 /nfs/dbraw/zinc/47/04/57/652470457.db2.gz AFMNZWUBNMHISP-UHFFFAOYSA-N 1 0 379.302 2.167 20 0 GEADRO Nc1cc(Br)ccc1C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000583023680 652471493 /nfs/dbraw/zinc/47/14/93/652471493.db2.gz DZQMZQURPATULW-XJKSGUPXSA-N 1 0 382.302 2.390 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000662727122 652471521 /nfs/dbraw/zinc/47/15/21/652471521.db2.gz RDWJMGFKFZPZIB-VHSXEESVSA-N 1 0 376.320 2.119 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000662727285 652471749 /nfs/dbraw/zinc/47/17/49/652471749.db2.gz NVARWNMGEDPWML-SWLSCSKDSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000662730321 652471991 /nfs/dbraw/zinc/47/19/91/652471991.db2.gz CLQPDMGUSUIYDC-TZMCWYRMSA-N 1 0 382.302 2.292 20 0 GEADRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCOc2cc(Br)ccc2C1 ZINC000662743098 652472304 /nfs/dbraw/zinc/47/23/04/652472304.db2.gz ZEYXFMFIEUUHAZ-NSHDSACASA-N 1 0 391.269 2.284 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)c1cnnn1C1CC[NH2+]CC1)C2 ZINC000662740143 652472336 /nfs/dbraw/zinc/47/23/36/652472336.db2.gz XGXCXKMNTQJNRH-UHFFFAOYSA-N 1 0 390.285 2.430 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2oc(Br)cc2C)CC1 ZINC000662744084 652472392 /nfs/dbraw/zinc/47/23/92/652472392.db2.gz BBXNEUGGSGVFMH-UHFFFAOYSA-N 1 0 386.290 2.071 20 0 GEADRO CN[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000662748349 652472905 /nfs/dbraw/zinc/47/29/05/652472905.db2.gz QNXZRZJTBPSTCD-KRWDZBQOSA-N 1 0 387.355 2.396 20 0 GEADRO Cc1cc(Br)ccc1SCC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662749561 652473180 /nfs/dbraw/zinc/47/31/80/652473180.db2.gz JODQVEYQIMKONV-UHFFFAOYSA-N 1 0 397.298 2.120 20 0 GEADRO CCN(C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1)CC(F)(F)F ZINC000662748887 652473246 /nfs/dbraw/zinc/47/32/46/652473246.db2.gz FBLKDUVZBIKNHC-WCQYABFASA-N 1 0 375.357 2.261 20 0 GEADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753325 652473257 /nfs/dbraw/zinc/47/32/57/652473257.db2.gz YJPFWZAOXLQQGP-VIFPVBQESA-N 1 0 397.298 2.200 20 0 GEADRO CC(C)Oc1cc(Br)cc(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000662749930 652473263 /nfs/dbraw/zinc/47/32/63/652473263.db2.gz IUIPGWIPBACHBA-UHFFFAOYSA-N 1 0 395.257 2.121 20 0 GEADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753800 652473309 /nfs/dbraw/zinc/47/33/09/652473309.db2.gz WUIKSDJOXIHJGL-GFCCVEGCSA-N 1 0 393.285 2.289 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](NC)c2cccc(Cl)c2Cl)CC1 ZINC000662756059 652473611 /nfs/dbraw/zinc/47/36/11/652473611.db2.gz HGRWMPFSBHSOBB-GUYCJALGSA-N 1 0 387.355 2.396 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662772321 652473972 /nfs/dbraw/zinc/47/39/72/652473972.db2.gz OGAHHVUGJUHDEV-SRMUXQRQSA-N 1 0 380.286 2.132 20 0 GEADRO CC(C)(C)n1cc(Br)c(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000662784098 652474242 /nfs/dbraw/zinc/47/42/42/652474242.db2.gz JRPNMUKCEIEZFI-GFCCVEGCSA-N 1 0 399.333 2.228 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662779513 652474325 /nfs/dbraw/zinc/47/43/25/652474325.db2.gz NUNXHPBLJSFGQM-MPESAESLSA-N 1 0 380.286 2.132 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000662800870 652474955 /nfs/dbraw/zinc/47/49/55/652474955.db2.gz ULMXVGNMNSRBAB-HOTGVXAUSA-N 1 0 383.286 2.183 20 0 GEADRO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CCN(CC(F)(F)F)CC1 ZINC000662808889 652475069 /nfs/dbraw/zinc/47/50/69/652475069.db2.gz MKRYCTMUMGGBPY-GXFFZTMASA-N 1 0 375.357 2.307 20 0 GEADRO O=C(NCCN1CCc2c(Cl)cccc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662810233 652475353 /nfs/dbraw/zinc/47/53/53/652475353.db2.gz OBZDZZFBRMZZGB-MRXNPFEDSA-N 1 0 375.822 2.356 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000662859362 652476594 /nfs/dbraw/zinc/47/65/94/652476594.db2.gz KQPCHTRCVIZPNY-KCXAZCMYSA-N 1 0 385.302 2.490 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)CCn1cnccc1=O)c1ccc(Cl)c(Cl)c1 ZINC000628969624 652476765 /nfs/dbraw/zinc/47/67/65/652476765.db2.gz VWAKKRZJJUUQQX-HNNXBMFYSA-N 1 0 383.279 2.359 20 0 GEADRO [NH3+]C1(CNC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000662865254 652477039 /nfs/dbraw/zinc/47/70/39/652477039.db2.gz NDHZOAYTPCUJKP-UHFFFAOYSA-N 1 0 394.324 2.050 20 0 GEADRO O=C(COC1CC[NH2+]CC1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000662880833 652477331 /nfs/dbraw/zinc/47/73/31/652477331.db2.gz CRODUXDFRCKYEL-MRXNPFEDSA-N 1 0 383.286 2.118 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000662942507 652479342 /nfs/dbraw/zinc/47/93/42/652479342.db2.gz IYTYKHDAHUCZCQ-UHFFFAOYSA-N 1 0 396.329 2.383 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000662961632 652479706 /nfs/dbraw/zinc/47/97/06/652479706.db2.gz GADINHWUCVDGMG-INIZCTEOSA-N 1 0 396.329 2.180 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C[C@@H]1C[NH3+] ZINC000662968748 652479710 /nfs/dbraw/zinc/47/97/10/652479710.db2.gz HNCXXOSOYSLFHT-YPMHNXCESA-N 1 0 384.307 2.321 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000662961481 652479717 /nfs/dbraw/zinc/47/97/17/652479717.db2.gz CARFNHNIDIMJFR-KBPBESRZSA-N 1 0 396.329 2.334 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C2 ZINC000662994573 652480910 /nfs/dbraw/zinc/48/09/10/652480910.db2.gz WPLAXFIZZLYGEF-UHFFFAOYSA-N 1 0 382.302 2.043 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000583321378 652481132 /nfs/dbraw/zinc/48/11/32/652481132.db2.gz FFJAUQPDWODMOK-ZJUUUORDSA-N 1 0 378.274 2.373 20 0 GEADRO CC(C)[C@@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC[NH2+]1 ZINC000663221688 652485578 /nfs/dbraw/zinc/48/55/78/652485578.db2.gz IMMXGWCKMSPZKZ-GJZGRUSLSA-N 1 0 380.286 2.011 20 0 GEADRO CC(C)[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC[NH2+]1 ZINC000663221692 652485722 /nfs/dbraw/zinc/48/57/22/652485722.db2.gz IMMXGWCKMSPZKZ-LSDHHAIUSA-N 1 0 380.286 2.011 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000583564463 652490046 /nfs/dbraw/zinc/49/00/46/652490046.db2.gz RSRJJWONNNZVHU-UWVGGRQHSA-N 1 0 379.258 2.178 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000583639752 652492503 /nfs/dbraw/zinc/49/25/03/652492503.db2.gz QNHLCNXOOUHUSB-CYBMUJFWSA-N 1 0 383.334 2.193 20 0 GEADRO NC(=O)CC1(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CCCCC1 ZINC000663308310 652492730 /nfs/dbraw/zinc/49/27/30/652492730.db2.gz MHXNFYGBOFAUMS-OAHLLOKOSA-N 1 0 382.302 2.391 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000663309398 652493074 /nfs/dbraw/zinc/49/30/74/652493074.db2.gz OLBLBWDGSGPHDW-JTQLQIEISA-N 1 0 380.310 2.236 20 0 GEADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000663311122 652493404 /nfs/dbraw/zinc/49/34/04/652493404.db2.gz MJHIPPUGVRNKBC-SNVBAGLBSA-N 1 0 380.310 2.138 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)s1 ZINC000663312063 652493435 /nfs/dbraw/zinc/49/34/35/652493435.db2.gz SSSRKTIRUORSOF-ZETCQYMHSA-N 1 0 381.239 2.329 20 0 GEADRO Cc1c(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC000663311416 652493462 /nfs/dbraw/zinc/49/34/62/652493462.db2.gz NODSSSYFENWDCI-ZDUSSCGKSA-N 1 0 396.822 2.344 20 0 GEADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[C@H]1C(F)(F)F ZINC000629564824 652493477 /nfs/dbraw/zinc/49/34/77/652493477.db2.gz UMZLKCCEPMKWQU-GXSJLCMTSA-N 1 0 395.223 2.242 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC[C@H]1C(F)(F)F ZINC000629561919 652493584 /nfs/dbraw/zinc/49/35/84/652493584.db2.gz LISBUXYTAGTCLV-IJLUTSLNSA-N 1 0 375.357 2.246 20 0 GEADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(Br)c1F ZINC000663312557 652493668 /nfs/dbraw/zinc/49/36/68/652493668.db2.gz ZGJHKOMILRUCSA-MRVPVSSYSA-N 1 0 379.173 2.098 20 0 GEADRO C[C@@]1(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)CC[NH2+]C1 ZINC000663313189 652493698 /nfs/dbraw/zinc/49/36/98/652493698.db2.gz UDVIPBCXGAEMCP-RHSMWYFYSA-N 1 0 388.917 2.318 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(Br)c1F ZINC000663312558 652493727 /nfs/dbraw/zinc/49/37/27/652493727.db2.gz ZGJHKOMILRUCSA-QMMMGPOBSA-N 1 0 379.173 2.098 20 0 GEADRO C[C@]1(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC[NH2+]C1 ZINC000663313693 652493763 /nfs/dbraw/zinc/49/37/63/652493763.db2.gz NJHSPWGWVLCDEA-NSHDSACASA-N 1 0 387.221 2.498 20 0 GEADRO Brc1cnnc(NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000663332388 652494125 /nfs/dbraw/zinc/49/41/25/652494125.db2.gz WMDGAGQQHKIEJO-UHFFFAOYSA-N 1 0 376.302 2.469 20 0 GEADRO O[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1cccc(Br)c1 ZINC000663364551 652495272 /nfs/dbraw/zinc/49/52/72/652495272.db2.gz RTCAOAAIYPTDDH-IAGOWNOFSA-N 1 0 399.329 2.032 20 0 GEADRO C[NH+](C)CCOc1cnccc1CNS(=O)(=O)c1cc(Cl)ccc1F ZINC000583715296 652495435 /nfs/dbraw/zinc/49/54/35/652495435.db2.gz CGQCRNDBJNXXNY-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000629821898 652495565 /nfs/dbraw/zinc/49/55/65/652495565.db2.gz MSNXSYYCINMMMU-JSGCOSHPSA-N 1 0 394.313 2.103 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH+]1CCN(c2cccc(Br)c2)CC1)C1CC1 ZINC000630038389 652500906 /nfs/dbraw/zinc/50/09/06/652500906.db2.gz BGUNZEYMROBIAB-MSOLQXFVSA-N 1 0 383.330 2.483 20 0 GEADRO CNS(=O)(=O)c1ccc(NC[C@H](c2ccc(SC)cc2)[NH+](C)C)nc1 ZINC000583884964 652501458 /nfs/dbraw/zinc/50/14/58/652501458.db2.gz UQISLSVIYWEFOB-MRXNPFEDSA-N 1 0 380.539 2.426 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663487170 652501840 /nfs/dbraw/zinc/50/18/40/652501840.db2.gz YSXZFFFVQQOKNH-SNVBAGLBSA-N 1 0 389.677 2.071 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccc(CNc2cc(Br)cnn2)c1 ZINC000663530776 652502914 /nfs/dbraw/zinc/50/29/14/652502914.db2.gz RHFCDJXJVZUERS-UHFFFAOYSA-N 1 0 378.274 2.143 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663602647 652505245 /nfs/dbraw/zinc/50/52/45/652505245.db2.gz CZSQFBCJLMKLNF-BDAKNGLRSA-N 1 0 379.766 2.421 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663605218 652506223 /nfs/dbraw/zinc/50/62/23/652506223.db2.gz RBLWICZCWZBKFK-VIFPVBQESA-N 1 0 379.766 2.293 20 0 GEADRO C[C@@]1(NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CC[NH2+]C1 ZINC000663613654 652506764 /nfs/dbraw/zinc/50/67/64/652506764.db2.gz SLMGUFRKOFJDBI-CQSZACIVSA-N 1 0 379.766 2.088 20 0 GEADRO Brc1ccc2nnc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)n2c1 ZINC000663634975 652507348 /nfs/dbraw/zinc/50/73/48/652507348.db2.gz IORKUBDZJXWLSE-LBPRGKRZSA-N 1 0 380.290 2.405 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000584103191 652509326 /nfs/dbraw/zinc/50/93/26/652509326.db2.gz IUAOLCHXCMRFHH-GDBMZVCRSA-N 1 0 382.302 2.012 20 0 GEADRO O=C(NCc1sccc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663865633 652514095 /nfs/dbraw/zinc/51/40/95/652514095.db2.gz HHMWDZIJJZZJJQ-GFCCVEGCSA-N 1 0 388.331 2.251 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc2cncc(Br)c2n1 ZINC000630751352 652514771 /nfs/dbraw/zinc/51/47/71/652514771.db2.gz OJLQFMOYBIGSIE-UHFFFAOYSA-N 1 0 393.285 2.235 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000584290881 652515154 /nfs/dbraw/zinc/51/51/54/652515154.db2.gz NCPPBHOWMJNYHC-NOZJJQNGSA-N 1 0 392.233 2.460 20 0 GEADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000584287209 652515278 /nfs/dbraw/zinc/51/52/78/652515278.db2.gz XTHMCJOCEHLYFR-UHFFFAOYSA-N 1 0 375.556 2.172 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)sc1C(F)(F)F ZINC000584325333 652516344 /nfs/dbraw/zinc/51/63/44/652516344.db2.gz HDSBNRQCRRITNZ-SCZZXKLOSA-N 1 0 378.420 2.254 20 0 GEADRO COc1cc(Br)c(NC(=O)c2cnn(CC[NH+](C)C)c2)cc1OC ZINC000630808853 652516905 /nfs/dbraw/zinc/51/69/05/652516905.db2.gz WISUHOCADGKOEH-UHFFFAOYSA-N 1 0 397.273 2.477 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCC1 ZINC000584346588 652517680 /nfs/dbraw/zinc/51/76/80/652517680.db2.gz QVXVBRFMEKHLSY-GFCCVEGCSA-N 1 0 382.309 2.290 20 0 GEADRO Cn1cc(Br)c(=O)n(Cc2ccc(C[NH+]3CCCCC3)cc2)c1=O ZINC000664045401 652518855 /nfs/dbraw/zinc/51/88/55/652518855.db2.gz JBUDXQVOPAVWDM-UHFFFAOYSA-N 1 0 392.297 2.344 20 0 GEADRO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631050832 652519301 /nfs/dbraw/zinc/51/93/01/652519301.db2.gz DVTZVSKWQIJZSK-INIZCTEOSA-N 1 0 381.929 2.250 20 0 GEADRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)C2 ZINC000631103368 652520245 /nfs/dbraw/zinc/52/02/45/652520245.db2.gz GHKFOWINLLEVSF-CYBMUJFWSA-N 1 0 382.869 2.089 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(F)cc1Br ZINC000631108613 652520308 /nfs/dbraw/zinc/52/03/08/652520308.db2.gz YVAMROVTWNFNGM-FZMZJTMJSA-N 1 0 389.265 2.322 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CC[C@H](O)C(F)(F)C1 ZINC000664091704 652520580 /nfs/dbraw/zinc/52/05/80/652520580.db2.gz MYKYAEWIKFQWKM-AWEZNQCLSA-N 1 0 377.501 2.150 20 0 GEADRO C[NH+](C)C1(CNC(=O)Cc2csc(CCC(F)(F)F)n2)CCOCC1 ZINC000631307074 652521379 /nfs/dbraw/zinc/52/13/79/652521379.db2.gz BXGZAUAGUSXWEY-UHFFFAOYSA-N 1 0 379.448 2.408 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000584588987 652524546 /nfs/dbraw/zinc/52/45/46/652524546.db2.gz QGSPKAAPLVIXFT-KWQFWETISA-N 1 0 389.091 2.431 20 0 GEADRO O=C(NC[C@@H]1CCCN(C(=O)NCc2ccc(Cl)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000584708536 652526521 /nfs/dbraw/zinc/52/65/21/652526521.db2.gz INPUTGNBSYNYFC-JSGCOSHPSA-N 1 0 384.933 2.191 20 0 GEADRO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Oc1cccc(Br)c1 ZINC000631549731 652527386 /nfs/dbraw/zinc/52/73/86/652527386.db2.gz XBPBQRXVGNSBLK-ZDUSSCGKSA-N 1 0 395.301 2.405 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)c(F)cc1OC)C1CC1 ZINC000584733040 652527435 /nfs/dbraw/zinc/52/74/35/652527435.db2.gz WITNMFVDAKWTPB-UHFFFAOYSA-N 1 0 395.294 2.359 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000584793701 652529951 /nfs/dbraw/zinc/52/99/51/652529951.db2.gz UUNIOZARBXPGJH-JTQLQIEISA-N 1 0 395.294 2.217 20 0 GEADRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000631656715 652530292 /nfs/dbraw/zinc/53/02/92/652530292.db2.gz VIWIMLPRAFWVCN-CQSZACIVSA-N 1 0 387.933 2.381 20 0 GEADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCCS2(=O)=O)c(Cl)c1 ZINC000631656809 652530297 /nfs/dbraw/zinc/53/02/97/652530297.db2.gz XHIXQMBAJRZDAE-AWEZNQCLSA-N 1 0 387.933 2.381 20 0 GEADRO CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631670471 652530862 /nfs/dbraw/zinc/53/08/62/652530862.db2.gz VLNBAZKLVDQPSV-CMPLNLGQSA-N 1 0 379.320 2.298 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)C1CC1 ZINC000664593346 652531078 /nfs/dbraw/zinc/53/10/78/652531078.db2.gz AMWNMZRCWXLHIK-UHFFFAOYSA-N 1 0 379.766 2.388 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)COc1cccc(I)c1 ZINC000584837702 652531327 /nfs/dbraw/zinc/53/13/27/652531327.db2.gz MVTKIFPWQKYOHS-LBPRGKRZSA-N 1 0 376.238 2.304 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1cncc(Br)c1 ZINC000664676127 652535080 /nfs/dbraw/zinc/53/50/80/652535080.db2.gz HSMNXZGRZQYDCC-ZDUSSCGKSA-N 1 0 395.301 2.021 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000631803216 652535296 /nfs/dbraw/zinc/53/52/96/652535296.db2.gz PWXQATFWJCEAKI-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000758309911 652536698 /nfs/dbraw/zinc/53/66/98/652536698.db2.gz IONIMQFWZVUXKJ-OAHLLOKOSA-N 1 0 386.945 2.477 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000664732575 652537439 /nfs/dbraw/zinc/53/74/39/652537439.db2.gz XVOBYMOOOTZYRD-UHFFFAOYSA-N 1 0 389.327 2.403 20 0 GEADRO COC(=O)c1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000585766405 652537549 /nfs/dbraw/zinc/53/75/49/652537549.db2.gz PXGFWLWKBVEQCT-IRXDYDNUSA-N 1 0 397.313 2.267 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1scnc1Br ZINC000758367164 652538857 /nfs/dbraw/zinc/53/88/57/652538857.db2.gz XYPUKBADUQBBJA-VXGBXAGGSA-N 1 0 388.331 2.403 20 0 GEADRO O=S(=O)(NC1CC[NH2+]CC1)c1cnc2c(Br)csc2c1 ZINC000631900601 652539060 /nfs/dbraw/zinc/53/90/60/652539060.db2.gz VMEWJJDSSCJVDY-UHFFFAOYSA-N 1 0 376.301 2.089 20 0 GEADRO C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)cn1 ZINC000664792478 652539532 /nfs/dbraw/zinc/53/95/32/652539532.db2.gz PHDNBZOZENQASX-ZDUSSCGKSA-N 1 0 386.338 2.088 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CCO1 ZINC000631907973 652540002 /nfs/dbraw/zinc/54/00/02/652540002.db2.gz YHDNMGOZXIBEKT-SKDRFNHKSA-N 1 0 388.358 2.077 20 0 GEADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000631911624 652540317 /nfs/dbraw/zinc/54/03/17/652540317.db2.gz MCNILECQXMMXEN-MSOLQXFVSA-N 1 0 380.897 2.337 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000631927674 652541062 /nfs/dbraw/zinc/54/10/62/652541062.db2.gz FMIIGJIRMJCKHO-UHFFFAOYSA-N 1 0 378.325 2.280 20 0 GEADRO CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916245 652541122 /nfs/dbraw/zinc/54/11/22/652541122.db2.gz VSVMWMUBLLXAKL-DOMZBBRYSA-N 1 0 380.432 2.407 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)NCc1ccc2c(c1)C[NH2+]C2 ZINC000631935093 652542146 /nfs/dbraw/zinc/54/21/46/652542146.db2.gz PNWFTISSASDEBK-UHFFFAOYSA-N 1 0 388.312 2.128 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000631975641 652543621 /nfs/dbraw/zinc/54/36/21/652543621.db2.gz NKKZHRSJFRXZMU-UHFFFAOYSA-N 1 0 384.889 2.295 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631976118 652543927 /nfs/dbraw/zinc/54/39/27/652543927.db2.gz PTVIOPFXKKSAMX-MGCOHNPYSA-N 1 0 395.294 2.393 20 0 GEADRO CC[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631980474 652544252 /nfs/dbraw/zinc/54/42/52/652544252.db2.gz JTXZWPWIWSLJCV-SFHVURJKSA-N 1 0 387.977 2.218 20 0 GEADRO COc1ccc2c(c1)C=C(S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1)CC2 ZINC000758492864 652544334 /nfs/dbraw/zinc/54/43/34/652544334.db2.gz DSRNPQILUHXXTJ-QZTJIDSGSA-N 1 0 382.551 2.290 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)NCCC1CCN(CC(F)(F)F)CC1 ZINC000632068836 652549282 /nfs/dbraw/zinc/54/92/82/652549282.db2.gz PKRWXZLQOJKVHT-UHFFFAOYSA-N 1 0 385.496 2.056 20 0 GEADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cscc1Cl ZINC000632078566 652549828 /nfs/dbraw/zinc/54/98/28/652549828.db2.gz UTMVEDACZSPYNP-INIZCTEOSA-N 1 0 379.913 2.420 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@H]2CCCOc3c(Br)cccc32)n1 ZINC000665291976 652550207 /nfs/dbraw/zinc/55/02/07/652550207.db2.gz PQKSKYRPNBBLIX-ZDUSSCGKSA-N 1 0 379.258 2.407 20 0 GEADRO CC[N@H+](CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(C)C ZINC000588225273 652550811 /nfs/dbraw/zinc/55/08/11/652550811.db2.gz PYVONWZIGWHGKG-OAHLLOKOSA-N 1 0 387.571 2.138 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]2CCC2(F)F)c1 ZINC000632270735 652554156 /nfs/dbraw/zinc/55/41/56/652554156.db2.gz WONAPACBWGMBBQ-HNNXBMFYSA-N 1 0 376.469 2.434 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000665628004 652555364 /nfs/dbraw/zinc/55/53/64/652555364.db2.gz CLDSUYKEYXQRLR-UHFFFAOYSA-N 1 0 385.306 2.241 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000758828240 652556482 /nfs/dbraw/zinc/55/64/82/652556482.db2.gz KUUYKSGPSFLHJU-CZUORRHYSA-N 1 0 390.311 2.437 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)NCCNc2cccc(Br)c2)cn1 ZINC000632335694 652558008 /nfs/dbraw/zinc/55/80/08/652558008.db2.gz QABOWRNTOLKFQR-UHFFFAOYSA-N 1 0 380.290 2.049 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1 ZINC000632368063 652559462 /nfs/dbraw/zinc/55/94/62/652559462.db2.gz BHZQFDGBMSUBQP-MFKMUULPSA-N 1 0 377.304 2.171 20 0 GEADRO Cc1c2cc(C(=O)NCCN3CC[NH+](C)CC3)[nH]c2ccc1Br ZINC000665771350 652559597 /nfs/dbraw/zinc/55/95/97/652559597.db2.gz BBWRKBWRINMEJQ-UHFFFAOYSA-N 1 0 379.302 2.216 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)NCCc2cc3ccccc3s2)CC1 ZINC000632370963 652559803 /nfs/dbraw/zinc/55/98/03/652559803.db2.gz PRGCXAVWQUDNMO-UHFFFAOYSA-N 1 0 381.567 2.001 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2N1 ZINC000589170410 652561006 /nfs/dbraw/zinc/56/10/06/652561006.db2.gz JFAUJIUYLQRDQC-CYBMUJFWSA-N 1 0 383.901 2.084 20 0 GEADRO C[NH+](C)CC1(CNS(=O)(=O)c2c(Cl)nc3sccn32)CCCC1 ZINC000759141881 652564574 /nfs/dbraw/zinc/56/45/74/652564574.db2.gz ZIICUZOXPIJKPG-UHFFFAOYSA-N 1 0 376.935 2.450 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000589295247 652565019 /nfs/dbraw/zinc/56/50/19/652565019.db2.gz JRJWKXMXLBGWIA-UHFFFAOYSA-N 1 0 378.947 2.454 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000666139513 652567414 /nfs/dbraw/zinc/56/74/14/652567414.db2.gz FLRIZGGXEWUXQU-IRUJWGPZSA-N 1 0 383.208 2.435 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cscc2Br)CCO1 ZINC000632576517 652568102 /nfs/dbraw/zinc/56/81/02/652568102.db2.gz SRPUUHDGGLDZPZ-LLVKDONJSA-N 1 0 397.360 2.242 20 0 GEADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000759370293 652570726 /nfs/dbraw/zinc/57/07/26/652570726.db2.gz SMJCABVOEFSLBB-MRVPVSSYSA-N 1 0 391.697 2.201 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000589700806 652571170 /nfs/dbraw/zinc/57/11/70/652571170.db2.gz ITLXAEHERKNBLD-HNNXBMFYSA-N 1 0 381.270 2.450 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)c(F)cc2I)C1 ZINC000590044042 652573349 /nfs/dbraw/zinc/57/33/49/652573349.db2.gz FYYVLHYAQSGTQE-SDBXPKJASA-N 1 0 392.187 2.346 20 0 GEADRO O=C(Nc1nnc(CC(F)(F)F)s1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666377075 652574055 /nfs/dbraw/zinc/57/40/55/652574055.db2.gz KPECONAJCNPWOX-SNVBAGLBSA-N 1 0 379.408 2.018 20 0 GEADRO CC(=O)Nc1nc(C)c(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)s1 ZINC000666387191 652574598 /nfs/dbraw/zinc/57/45/98/652574598.db2.gz CTQLRKMCPDNMPV-UHFFFAOYSA-N 1 0 388.559 2.295 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000759467783 652574670 /nfs/dbraw/zinc/57/46/70/652574670.db2.gz MYFBPUNSLFCZSH-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO Cc1cc(Br)c(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)s1 ZINC000666638255 652581809 /nfs/dbraw/zinc/58/18/09/652581809.db2.gz AHJGIHYDTQJQGD-LBPRGKRZSA-N 1 0 390.347 2.465 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000632889438 652582290 /nfs/dbraw/zinc/58/22/90/652582290.db2.gz ZAGCUKHUNMTDLG-ZDUSSCGKSA-N 1 0 398.301 2.043 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1oc2ccccc2c1Br ZINC000632890793 652582518 /nfs/dbraw/zinc/58/25/18/652582518.db2.gz PTKLDJDQZLBURM-LBPRGKRZSA-N 1 0 378.270 2.315 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000633045013 652583597 /nfs/dbraw/zinc/58/35/97/652583597.db2.gz IMCYWQAAZLEJFA-LLVKDONJSA-N 1 0 386.265 2.421 20 0 GEADRO O=C(c1oc2ccccc2c1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000633070212 652584828 /nfs/dbraw/zinc/58/48/28/652584828.db2.gz VQPAPCREQSNUSI-NWDGAFQWSA-N 1 0 379.254 2.476 20 0 GEADRO C[C@H](CNC(=O)NCc1ccsc1C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000633079128 652585105 /nfs/dbraw/zinc/58/51/05/652585105.db2.gz SIBVZDJNVAWYJR-GFCCVEGCSA-N 1 0 378.464 2.450 20 0 GEADRO O=C(NCCN1CCSCC1)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633076578 652585329 /nfs/dbraw/zinc/58/53/29/652585329.db2.gz XPAQCPMRWPMDDN-AWEZNQCLSA-N 1 0 377.432 2.087 20 0 GEADRO NS(=O)(=O)c1ccsc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000667012459 652589388 /nfs/dbraw/zinc/58/93/88/652589388.db2.gz DSPUGFDNESWMRV-UHFFFAOYSA-N 1 0 385.555 2.124 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000633253460 652589993 /nfs/dbraw/zinc/58/99/93/652589993.db2.gz WXXQHYBVFYUGPM-DZJNRPSUSA-N 1 0 393.325 2.298 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592185155 652590023 /nfs/dbraw/zinc/59/00/23/652590023.db2.gz UVAZASOLBVVXRK-INIZCTEOSA-N 1 0 397.313 2.460 20 0 GEADRO CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CCOCC1 ZINC000592393703 652593515 /nfs/dbraw/zinc/59/35/15/652593515.db2.gz KAWHCLNEGVBLFA-GJZGRUSLSA-N 1 0 375.531 2.070 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000633358547 652594005 /nfs/dbraw/zinc/59/40/05/652594005.db2.gz IMSGZVAYYQEBPC-AWEZNQCLSA-N 1 0 392.301 2.256 20 0 GEADRO CN1CCN(C(=O)Nc2cc(Br)c(F)cc2Cl)[C@H](C[NH3+])C1 ZINC000667183581 652595539 /nfs/dbraw/zinc/59/55/39/652595539.db2.gz IOYWGJGXQOBXLX-MRVPVSSYSA-N 1 0 379.661 2.348 20 0 GEADRO Cn1cc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(Br)c1=O ZINC000667203899 652596789 /nfs/dbraw/zinc/59/67/89/652596789.db2.gz RZQBMPWDOLKFKO-CHWSQXEVSA-N 1 0 397.317 2.391 20 0 GEADRO CN(CCC[NH3+])C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000592471474 652597042 /nfs/dbraw/zinc/59/70/42/652597042.db2.gz JNZCUCLKDSUPGG-UHFFFAOYSA-N 1 0 380.539 2.316 20 0 GEADRO Ic1ccc(OCC[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000592509807 652597894 /nfs/dbraw/zinc/59/78/94/652597894.db2.gz AZBHBUBEQLHYQS-GFCCVEGCSA-N 1 0 398.248 2.198 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592515591 652598168 /nfs/dbraw/zinc/59/81/68/652598168.db2.gz JSXLWOYIPOBRDW-NSHDSACASA-N 1 0 393.285 2.420 20 0 GEADRO CN(C(=O)C(=O)Nc1ccccc1SCC(F)(F)F)C1CC[NH2+]CC1 ZINC000667253242 652598755 /nfs/dbraw/zinc/59/87/55/652598755.db2.gz FHTDKNYLVQZVRG-UHFFFAOYSA-N 1 0 375.416 2.490 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000592548905 652599392 /nfs/dbraw/zinc/59/93/92/652599392.db2.gz SEGYMZJZYHRSAB-GFCCVEGCSA-N 1 0 395.670 2.389 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000667265802 652599410 /nfs/dbraw/zinc/59/94/10/652599410.db2.gz BBFBPNNTYCIGEF-SNVBAGLBSA-N 1 0 375.803 2.181 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667280935 652599856 /nfs/dbraw/zinc/59/98/56/652599856.db2.gz SAERNQINMKUNOL-NSHDSACASA-N 1 0 375.416 2.490 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(Cl)ccc1Br ZINC000592554981 652600252 /nfs/dbraw/zinc/60/02/52/652600252.db2.gz WIAWSRRRPVOUNO-GFCCVEGCSA-N 1 0 375.650 2.080 20 0 GEADRO C[NH+](C)CCNC(=S)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000760292290 652602058 /nfs/dbraw/zinc/60/20/58/652602058.db2.gz NLAHKZINVQNUPX-UHFFFAOYSA-N 1 0 382.580 2.157 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000667375754 652602899 /nfs/dbraw/zinc/60/28/99/652602899.db2.gz RUABFSFIMOMDJY-NSHDSACASA-N 1 0 379.262 2.232 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667384019 652603327 /nfs/dbraw/zinc/60/33/27/652603327.db2.gz UGTRZFHGCFNWDJ-NSHDSACASA-N 1 0 375.416 2.490 20 0 GEADRO COc1cc(OC)c(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000667436288 652605668 /nfs/dbraw/zinc/60/56/68/652605668.db2.gz MECPZISGDLXBOD-YMTOWFKASA-N 1 0 388.262 2.046 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000633656888 652605933 /nfs/dbraw/zinc/60/59/33/652605933.db2.gz CYDODWLUKYVBRF-LBPRGKRZSA-N 1 0 386.290 2.041 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000667472566 652607021 /nfs/dbraw/zinc/60/70/21/652607021.db2.gz CWGNABGMOKWZSM-FPMFFAJLSA-N 1 0 380.286 2.200 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000667473126 652607049 /nfs/dbraw/zinc/60/70/49/652607049.db2.gz XZSMVJWBSGRCST-OBJOEFQTSA-N 1 0 380.286 2.200 20 0 GEADRO CC(=O)N[C@H](C)C(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000667484090 652607261 /nfs/dbraw/zinc/60/72/61/652607261.db2.gz QBFJMIOFCOQEQY-GFCCVEGCSA-N 1 0 399.333 2.290 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667495182 652608226 /nfs/dbraw/zinc/60/82/26/652608226.db2.gz BSFGBQDKNZPCTK-JMCQJSRRSA-N 1 0 392.656 2.294 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000667513239 652609212 /nfs/dbraw/zinc/60/92/12/652609212.db2.gz ITARWIPIUGWBQA-UHFFFAOYSA-N 1 0 384.274 2.126 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000667507530 652609322 /nfs/dbraw/zinc/60/93/22/652609322.db2.gz ZXIIUFZPCMGACJ-CYBMUJFWSA-N 1 0 398.301 2.433 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000667517577 652609864 /nfs/dbraw/zinc/60/98/64/652609864.db2.gz UXCJCKLIUJTBSL-GFCCVEGCSA-N 1 0 379.262 2.293 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667517640 652610265 /nfs/dbraw/zinc/61/02/65/652610265.db2.gz ZKCAKRXCFGUTOP-AAEUAGOBSA-N 1 0 391.273 2.246 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[NH2+]1 ZINC000667520655 652610279 /nfs/dbraw/zinc/61/02/79/652610279.db2.gz WGJONUJKUUWQSH-CYBMUJFWSA-N 1 0 395.301 2.116 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000592963323 652610276 /nfs/dbraw/zinc/61/02/76/652610276.db2.gz KLPVETRQWWAZCM-ZDUSSCGKSA-N 1 0 381.885 2.246 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667538456 652611119 /nfs/dbraw/zinc/61/11/19/652611119.db2.gz DURMEGRBHOYSRH-TZMCWYRMSA-N 1 0 380.286 2.215 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667538748 652611123 /nfs/dbraw/zinc/61/11/23/652611123.db2.gz LZMTVLIJNIWKJT-TVQRCGJNSA-N 1 0 386.677 2.251 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667542196 652611950 /nfs/dbraw/zinc/61/19/50/652611950.db2.gz MXIXFOLXQULMLM-MEDUHNTESA-N 1 0 392.297 2.087 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[C@H]1[NH3+] ZINC000667544852 652612218 /nfs/dbraw/zinc/61/22/18/652612218.db2.gz HNXSTUJIYMOXDO-LDYMZIIASA-N 1 0 390.228 2.252 20 0 GEADRO C[C@H]1CN(Cc2cc(Cl)ccc2I)CC[N@@H+]1CCO ZINC000593024402 652612257 /nfs/dbraw/zinc/61/22/57/652612257.db2.gz IHJGFFCLHPPCSE-NSHDSACASA-N 1 0 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388.277 2.458 20 0 GEADRO O[C@@]1(C[NH2+]CCCn2cc(Br)cn2)CCN(Cc2ccccc2)C1 ZINC000634715167 652658201 /nfs/dbraw/zinc/65/82/01/652658201.db2.gz YUFUOFHQJPODIM-GOSISDBHSA-N 1 0 393.329 2.262 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1(S(C)(=O)=O)CC1 ZINC000634714737 652658228 /nfs/dbraw/zinc/65/82/28/652658228.db2.gz QEHCTKRBIJVLFW-ZWNOBZJWSA-N 1 0 382.309 2.288 20 0 GEADRO OCC[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000634721912 652658922 /nfs/dbraw/zinc/65/89/22/652658922.db2.gz HBPRUTUUAGQJNA-HOTGVXAUSA-N 1 0 378.296 2.299 20 0 GEADRO OCC[C@@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000634721235 652659014 /nfs/dbraw/zinc/65/90/14/652659014.db2.gz VIXRTKKTPYJFIR-CZUORRHYSA-N 1 0 378.296 2.299 20 0 GEADRO CN(C)C[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000634722980 652659474 /nfs/dbraw/zinc/65/94/74/652659474.db2.gz XXBSWFSJKQFZBF-YOEHRIQHSA-N 1 0 391.339 2.478 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1F 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CCOc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 ZINC000763428157 652757904 /nfs/dbraw/zinc/75/79/04/652757904.db2.gz PVVPNGIDGUFTOC-UHFFFAOYSA-N 1 0 381.420 2.132 20 0 GEADRO C[NH+](C)CC1(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000635864873 652761421 /nfs/dbraw/zinc/76/14/21/652761421.db2.gz MIDDHVUUWBHVIC-AWEZNQCLSA-N 1 0 380.286 2.012 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC000635983167 652770517 /nfs/dbraw/zinc/77/05/17/652770517.db2.gz LCVCYLMNMJXDPJ-OAHLLOKOSA-N 1 0 385.302 2.291 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636007789 652773999 /nfs/dbraw/zinc/77/39/99/652773999.db2.gz PJCMFZPGFQXJPH-KGLIPLIRSA-N 1 0 399.329 2.067 20 0 GEADRO CO[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000636048090 652775842 /nfs/dbraw/zinc/77/58/42/652775842.db2.gz BANLPNTWMMPBRC-XJKSGUPXSA-N 1 0 385.302 2.100 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCNC(=O)c1ccccc1F ZINC000671118275 652779848 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O=C(NCc1ccncc1Br)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000636309262 652795812 /nfs/dbraw/zinc/79/58/12/652795812.db2.gz BVTYHEVYIJDSPY-GOSISDBHSA-N 1 0 390.281 2.097 20 0 GEADRO O=C(CC[N@@H+]1CCN2C(=O)OCC[C@H]2C1)Nc1ccc(Br)cc1 ZINC000764423686 652799236 /nfs/dbraw/zinc/79/92/36/652799236.db2.gz GXTSRHZEWXAIRZ-AWEZNQCLSA-N 1 0 382.258 2.304 20 0 GEADRO COc1ccc(NC(=O)CC[N@H+](C)CC(C)(C)S(C)(=O)=O)cc1Cl ZINC000764446310 652800318 /nfs/dbraw/zinc/80/03/18/652800318.db2.gz LZSPFSCNLPRMKA-UHFFFAOYSA-N 1 0 376.906 2.432 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)C(=O)NC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000636442811 652804106 /nfs/dbraw/zinc/80/41/06/652804106.db2.gz UMJPYNJFUQULFD-DOMZBBRYSA-N 1 0 388.295 2.008 20 0 GEADRO CC1CC[NH+](CCNC(=O)C(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000636538745 652807691 /nfs/dbraw/zinc/80/76/91/652807691.db2.gz WZQZMVFDKRZQBM-UHFFFAOYSA-N 1 0 377.432 2.231 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2[nH]c(=O)oc2c1 ZINC000671754461 652812078 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O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1nccn2c(Br)cnc12 ZINC000765197223 652830411 /nfs/dbraw/zinc/83/04/11/652830411.db2.gz YGJGVAVFKVRPQO-GFCCVEGCSA-N 1 0 378.274 2.239 20 0 GEADRO CC(C)(C)Oc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ncc1Br ZINC000672207530 652830458 /nfs/dbraw/zinc/83/04/58/652830458.db2.gz RFYGALKBQDPAPW-KGLIPLIRSA-N 1 0 399.333 2.452 20 0 GEADRO CC[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1cc(F)cc(Br)c1 ZINC000637060535 652835879 /nfs/dbraw/zinc/83/58/79/652835879.db2.gz HHZJBYIOHGDOQT-CABCVRRESA-N 1 0 388.281 2.405 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)C[C@@H]2COC(=O)C2)CC1 ZINC000765307529 652836241 /nfs/dbraw/zinc/83/62/41/652836241.db2.gz NRDOYDSHSHKYBH-LBPRGKRZSA-N 1 0 396.285 2.093 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672767406 652842240 /nfs/dbraw/zinc/84/22/40/652842240.db2.gz FZWAWYHOHZPNTO-CQSZACIVSA-N 1 0 398.345 2.478 20 0 GEADRO CN1CCO[C@H]([C@@H](NC(=S)NCCC[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000765514697 652842379 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[NH3+][C@@H]1CN(C(=O)COc2ccc(Br)cn2)C[C@H]1c1cccc(F)c1 ZINC000638343573 652886511 /nfs/dbraw/zinc/88/65/11/652886511.db2.gz QKQNKWXINXNDOV-LSDHHAIUSA-N 1 0 394.244 2.315 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3c(F)cncc3Br)C2)C1 ZINC000638385873 652887713 /nfs/dbraw/zinc/88/77/13/652887713.db2.gz WTNDFAXNJZRDSY-GYSYKLTISA-N 1 0 386.265 2.342 20 0 GEADRO [NH3+]CC1(CCNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 ZINC000638388026 652888130 /nfs/dbraw/zinc/88/81/30/652888130.db2.gz NKKONJJSSHXRPM-HNNXBMFYSA-N 1 0 394.313 2.185 20 0 GEADRO C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000638472326 652890210 /nfs/dbraw/zinc/89/02/10/652890210.db2.gz DXGLJQCTZPQZQZ-GJZGRUSLSA-N 1 0 386.359 2.421 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000638494660 652891365 /nfs/dbraw/zinc/89/13/65/652891365.db2.gz HBGOCFGYUMIZQM-CLAHSXSESA-N 1 0 392.244 2.004 20 0 GEADRO CCN(CC[NH3+])C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000638520069 652892337 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CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000638567372 652895442 /nfs/dbraw/zinc/89/54/42/652895442.db2.gz AJJRKYOQXFGMGW-XHSDSOJGSA-N 1 0 396.329 2.460 20 0 GEADRO Cc1csc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1I ZINC000599991984 652896232 /nfs/dbraw/zinc/89/62/32/652896232.db2.gz OOMGJALGBMESCK-JZYVYDRUSA-N 1 0 376.263 2.293 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC000638587014 652896290 /nfs/dbraw/zinc/89/62/90/652896290.db2.gz IGFSIMQFHDPSAE-UHFFFAOYSA-N 1 0 382.555 2.485 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000638591603 652896456 /nfs/dbraw/zinc/89/64/56/652896456.db2.gz IVUCPCQBWRQQPP-UHFFFAOYSA-N 1 0 395.301 2.251 20 0 GEADRO O=C(CC1CC[NH2+]CC1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638594697 652896803 /nfs/dbraw/zinc/89/68/03/652896803.db2.gz BKFVBCBZHREYHI-OAHLLOKOSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000638596487 652897715 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[NH3+]CC1(NC(=O)CCOc2ccc(Cl)cc2Br)CCOCC1 ZINC000638635942 652899921 /nfs/dbraw/zinc/89/99/21/652899921.db2.gz XWVXJSVNKRCLOE-UHFFFAOYSA-N 1 0 391.693 2.496 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C[NH2+]1 ZINC000638651947 652901063 /nfs/dbraw/zinc/90/10/63/652901063.db2.gz ZHKRAGVMVLSYJC-FRRDWIJNSA-N 1 0 380.286 2.059 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)s2)CC1 ZINC000638648649 652901067 /nfs/dbraw/zinc/90/10/67/652901067.db2.gz MXIXFVZJWQNBTQ-ZIAGYGMSSA-N 1 0 385.555 2.039 20 0 GEADRO CN(CCOCC[NH3+])C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000638675750 652902098 /nfs/dbraw/zinc/90/20/98/652902098.db2.gz JABRYGDTTHTIMC-UHFFFAOYSA-N 1 0 396.285 2.470 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cn(CC[NH3+])nn1 ZINC000638699286 652903675 /nfs/dbraw/zinc/90/36/75/652903675.db2.gz NTZIFUAWGKWCSV-DGCLKSJQSA-N 1 0 378.274 2.018 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+](CCCCO)CC1 ZINC000766915215 652903676 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C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000638934701 652914351 /nfs/dbraw/zinc/91/43/51/652914351.db2.gz ARMFKRMQNPKMSS-WCBMZHEXSA-N 1 0 385.287 2.441 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000638948797 652914637 /nfs/dbraw/zinc/91/46/37/652914637.db2.gz YVHBKCMYFRPQHU-IHRRRGAJSA-N 1 0 394.313 2.436 20 0 GEADRO Cc1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1Br ZINC000639036371 652917008 /nfs/dbraw/zinc/91/70/08/652917008.db2.gz QMLYJQPPSSNOCW-ZDUSSCGKSA-N 1 0 378.274 2.204 20 0 GEADRO C[C@@H](CO)[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)CC1CCC1 ZINC000639149302 652923106 /nfs/dbraw/zinc/92/31/06/652923106.db2.gz YHZMUKRJTRSWSY-NSHDSACASA-N 1 0 391.331 2.079 20 0 GEADRO Cc1nnsc1CNc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000639157836 652923731 /nfs/dbraw/zinc/92/37/31/652923731.db2.gz RHINRNPCCPFBLL-UHFFFAOYSA-N 1 0 383.543 2.079 20 0 GEADRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000639183227 652925357 /nfs/dbraw/zinc/92/53/57/652925357.db2.gz SKGJBMFCILDTBW-CYBMUJFWSA-N 1 0 380.290 2.230 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@@]1(OC)CCOC1 ZINC000639237637 652927522 /nfs/dbraw/zinc/92/75/22/652927522.db2.gz KNKRAFKSFNFJDH-DYVFJYSZSA-N 1 0 388.302 2.004 20 0 GEADRO COc1ncc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)s1 ZINC000639241814 652928043 /nfs/dbraw/zinc/92/80/43/652928043.db2.gz MGLRAMIVUYIMTF-UHFFFAOYSA-N 1 0 385.287 2.758 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1nc2cc(Br)ccc2o1 ZINC000639285224 652930333 /nfs/dbraw/zinc/93/03/33/652930333.db2.gz KCFUIBLYTCDUSE-NSHDSACASA-N 1 0 381.274 2.142 20 0 GEADRO COc1nsc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1Br ZINC000639302403 652931157 /nfs/dbraw/zinc/93/11/57/652931157.db2.gz DRKSVJVSUAOZAH-UHFFFAOYSA-N 1 0 383.333 2.219 20 0 GEADRO NC(=O)CC1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCCCC1 ZINC000639327213 652932550 /nfs/dbraw/zinc/93/25/50/652932550.db2.gz MELNETUKFYJACX-UHFFFAOYSA-N 1 0 380.290 2.407 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1nc2cc(Br)ccc2o1 ZINC000639318931 652932603 /nfs/dbraw/zinc/93/26/03/652932603.db2.gz ZLYXRJTYAFRGFY-UHFFFAOYSA-N 1 0 383.290 2.042 20 0 GEADRO COc1nsc(CN2CCO[C@H](CCC[NH+](C)C)C2)c1Br ZINC000639335986 652933290 /nfs/dbraw/zinc/93/32/90/652933290.db2.gz ZGAYNVVTBWYYOI-LLVKDONJSA-N 1 0 378.336 2.457 20 0 GEADRO CN1CC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639355358 652933828 /nfs/dbraw/zinc/93/38/28/652933828.db2.gz SWSYYCGOGDKPRV-KZNAEPCWSA-N 1 0 382.346 2.241 20 0 GEADRO OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639484275 652938455 /nfs/dbraw/zinc/93/84/55/652938455.db2.gz IMSMKHPKAPURDJ-HNNXBMFYSA-N 1 0 392.323 2.470 20 0 GEADRO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639491949 652938625 /nfs/dbraw/zinc/93/86/25/652938625.db2.gz UUVGTAGIPQTBJV-HUUCEWRRSA-N 1 0 388.295 2.223 20 0 GEADRO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639491945 652938796 /nfs/dbraw/zinc/93/87/96/652938796.db2.gz UUVGTAGIPQTBJV-CABCVRRESA-N 1 0 388.295 2.223 20 0 GEADRO CN(CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F)S(C)(=O)=O ZINC000675745607 652939540 /nfs/dbraw/zinc/93/95/40/652939540.db2.gz UMXKGUZMGULLSK-AWEZNQCLSA-N 1 0 379.295 2.447 20 0 GEADRO O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000639513465 652939769 /nfs/dbraw/zinc/93/97/69/652939769.db2.gz HRAKOWPDVFAHHA-YOEHRIQHSA-N 1 0 389.323 2.387 20 0 GEADRO Cc1ncc(CNC(=O)CC[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)s1 ZINC000639586847 652942560 /nfs/dbraw/zinc/94/25/60/652942560.db2.gz OPEXPNSYGOMTCL-OAHLLOKOSA-N 1 0 379.448 2.483 20 0 GEADRO CCCn1nccc1NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000639639795 652945468 /nfs/dbraw/zinc/94/54/68/652945468.db2.gz WBMMXOAIEZJZKX-QGZVFWFLSA-N 1 0 395.301 2.491 20 0 GEADRO CCCC[C@@H](C)[N@H+](CCCC)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639657791 652946431 /nfs/dbraw/zinc/94/64/31/652946431.db2.gz RDHKEHIEQLVDSX-MRXNPFEDSA-N 1 0 375.579 2.207 20 0 GEADRO Cn1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1=O ZINC000675900918 652946960 /nfs/dbraw/zinc/94/69/60/652946960.db2.gz SXZFYZRFAYSULD-UHFFFAOYSA-N 1 0 376.298 2.466 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639674637 652947756 /nfs/dbraw/zinc/94/77/56/652947756.db2.gz VSYOBHQDCKCLFN-XJKCOSOUSA-N 1 0 377.312 2.120 20 0 GEADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000675995071 652949935 /nfs/dbraw/zinc/94/99/35/652949935.db2.gz MNYKWFBJIQTNRE-JKSUJKDBSA-N 1 0 382.302 2.266 20 0 GEADRO CC[N@H+]1[C@H](C)CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1C ZINC000639742789 652951291 /nfs/dbraw/zinc/95/12/91/652951291.db2.gz CDLXWZZBGRGVST-BETUJISGSA-N 1 0 387.933 2.097 20 0 GEADRO COc1cc(Br)c(CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1OC ZINC000639766726 652952535 /nfs/dbraw/zinc/95/25/35/652952535.db2.gz QIDPDGQCCSIBHN-QGZVFWFLSA-N 1 0 387.318 2.355 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000639765068 652952568 /nfs/dbraw/zinc/95/25/68/652952568.db2.gz IFLBQTVBWVGDLF-GUYCJALGSA-N 1 0 377.312 2.122 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764577 652952626 /nfs/dbraw/zinc/95/26/26/652952626.db2.gz HCNZQUNVSHWQIN-DYVFJYSZSA-N 1 0 384.318 2.165 20 0 GEADRO Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)no1 ZINC000639771367 652953152 /nfs/dbraw/zinc/95/31/52/652953152.db2.gz BWCSUVANMWOTPO-ZDUSSCGKSA-N 1 0 395.257 2.622 20 0 GEADRO CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)[C@H]1OC ZINC000676084284 652953676 /nfs/dbraw/zinc/95/36/76/652953676.db2.gz DTEJTQOWGLPABN-YYIAUSFCSA-N 1 0 375.579 2.077 20 0 GEADRO O[C@H](COCc1ccco1)C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639773460 652953836 /nfs/dbraw/zinc/95/38/36/652953836.db2.gz PEGXHHYICOTGHI-LSDHHAIUSA-N 1 0 397.269 2.468 20 0 GEADRO FC(F)(F)c1cnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(I)c1 ZINC000601106010 652954587 /nfs/dbraw/zinc/95/45/87/652954587.db2.gz JYJVGKPDXBSAKM-YUMQZZPRSA-N 1 0 383.155 2.361 20 0 GEADRO Nc1nnc([C@@H]2CCC[N@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)o1 ZINC000639820079 652956961 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20 0 GEADRO O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000639863541 653086839 /nfs/dbraw/zinc/08/68/39/653086839.db2.gz MIEKJMZPKOHJEM-IRXDYDNUSA-N 1 0 389.323 2.264 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)c1F ZINC000601345429 653087764 /nfs/dbraw/zinc/08/77/64/653087764.db2.gz SPKZUOKNOJLOFT-LLVKDONJSA-N 1 0 378.853 2.158 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000601396755 653091235 /nfs/dbraw/zinc/09/12/35/653091235.db2.gz HNQHKEWHDUNFBY-NWDGAFQWSA-N 1 0 391.946 2.406 20 0 GEADRO Cc1nnc(N2CCN(CCOc3cccc(Br)c3)CC2)n1C ZINC000639974783 653091859 /nfs/dbraw/zinc/09/18/59/653091859.db2.gz WMGFYJPBWDHKQH-UHFFFAOYSA-N 1 0 380.290 2.087 20 0 GEADRO Cc1ncc([C@@H](C)[NH2+]CC(=O)N2CCN(C(=O)c3cccs3)CC2)s1 ZINC000639995477 653092644 /nfs/dbraw/zinc/09/26/44/653092644.db2.gz VEJYQNMTLMTBQV-GFCCVEGCSA-N 1 0 378.523 2.148 20 0 GEADRO CO[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@@](C)(CO)C1 ZINC000640012006 653093258 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20 0 GEADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000601503990 653103091 /nfs/dbraw/zinc/10/30/91/653103091.db2.gz VWRLBYFDVYXVIM-GFCCVEGCSA-N 1 0 388.452 2.007 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000771345969 653105663 /nfs/dbraw/zinc/10/56/63/653105663.db2.gz XUVPGMJHMPNOFG-PMPSAXMXSA-N 1 0 386.631 2.081 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(N3CCOCC3)ccc2Br)C1 ZINC000640236688 653105715 /nfs/dbraw/zinc/10/57/15/653105715.db2.gz JHDVIFBXNITVMT-ZDUSSCGKSA-N 1 0 397.317 2.359 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640238089 653106044 /nfs/dbraw/zinc/10/60/44/653106044.db2.gz WLRZKHOVKJEMIJ-LBPRGKRZSA-N 1 0 385.306 2.357 20 0 GEADRO CN1C(=O)C[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000768287379 653107613 /nfs/dbraw/zinc/10/76/13/653107613.db2.gz WKYFHMQCLIMEOO-NVXWUHKLSA-N 1 0 380.945 2.170 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CCSC1 ZINC000640294767 653110646 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C[C@H](OC(=O)C1SCCS1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768578499 653118861 /nfs/dbraw/zinc/11/88/61/653118861.db2.gz FZVZPPZBPIHKIB-ZFWWWQNUSA-N 1 0 380.535 2.115 20 0 GEADRO C[C@@H]1[C@H](NC(=O)Nc2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000640315632 653118871 /nfs/dbraw/zinc/11/88/71/653118871.db2.gz RJDTXANPNTYKGO-IUODEOHRSA-N 1 0 392.301 2.967 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2scnc2Br)CC1 ZINC000771661292 653123433 /nfs/dbraw/zinc/12/34/33/653123433.db2.gz QBXUWGIHLLFPDJ-UHFFFAOYSA-N 1 0 375.336 2.052 20 0 GEADRO O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000640383406 653123482 /nfs/dbraw/zinc/12/34/82/653123482.db2.gz JYFDGVHLEVFSKL-MRVPVSSYSA-N 1 0 385.362 2.894 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3nnc(C(F)(F)C(F)(F)F)s3)C2)C1 ZINC000640385952 653124475 /nfs/dbraw/zinc/12/44/75/653124475.db2.gz FEKCZTWCYRERAI-NSHDSACASA-N 1 0 385.362 2.752 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000771801162 653127650 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CC(C)CNC(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640886478 653143989 /nfs/dbraw/zinc/14/39/89/653143989.db2.gz PQQWAFCAPLJPOA-NHYWBVRUSA-N 1 0 380.290 2.422 20 0 GEADRO O=C(Cn1cc(C[NH2+]C2CCCCC2)nn1)Nc1ccc(Br)cn1 ZINC000640896692 653145018 /nfs/dbraw/zinc/14/50/18/653145018.db2.gz AKOYMPQJIGPVNB-UHFFFAOYSA-N 1 0 393.289 2.497 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC([NH2+]C(C)C)CC1 ZINC000769231182 653146553 /nfs/dbraw/zinc/14/65/53/653146553.db2.gz DTOOIWVOCZEJEI-OAHLLOKOSA-N 1 0 388.965 2.167 20 0 GEADRO C[NH2+]C(C)(C)c1cn(CC(=O)N(C)Cc2cc(Br)cs2)nn1 ZINC000640978952 653148114 /nfs/dbraw/zinc/14/81/14/653148114.db2.gz CRTSNBIRCHHXES-UHFFFAOYSA-N 1 0 386.319 2.215 20 0 GEADRO CC(C)[C@@H]([NH3+])c1cn(CC(=O)N(C)Cc2cc(Br)cs2)nn1 ZINC000640980742 653148588 /nfs/dbraw/zinc/14/85/88/653148588.db2.gz YZNPTCNIVDKBFT-CQSZACIVSA-N 1 0 386.319 2.417 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc(C(F)(F)F)c[nH]c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000602133450 653149782 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GEADRO O=C1[C@H](n2cc([C@H]3CCC[NH2+]C3)nn2)CCN1c1cccc(Br)c1 ZINC000641103774 653156155 /nfs/dbraw/zinc/15/61/55/653156155.db2.gz DSRZTBDYGFONFE-BLLLJJGKSA-N 1 0 390.285 2.486 20 0 GEADRO Cc1ccc(Cn2cc(CNC(=O)C3CC[NH2+]CC3)nn2)c(Br)c1 ZINC000641100758 653156166 /nfs/dbraw/zinc/15/61/66/653156166.db2.gz YIBAJDUQPRVCGV-UHFFFAOYSA-N 1 0 392.301 2.013 20 0 GEADRO C[C@@H](NC(=O)C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(Br)cc1 ZINC000679871645 653157241 /nfs/dbraw/zinc/15/72/41/653157241.db2.gz GYGCPSILRIYDGS-WBMJQRKESA-N 1 0 385.302 2.003 20 0 GEADRO Clc1ccc(-n2cc(Cn3cc(C[C@H]4CC[NH2+]C4)nn3)nn2)cc1Cl ZINC000641110991 653157608 /nfs/dbraw/zinc/15/76/08/653157608.db2.gz PIIZJIHXCCWDEZ-LLVKDONJSA-N 1 0 378.267 2.366 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2ncsc2c1 ZINC000772687650 653160370 /nfs/dbraw/zinc/16/03/70/653160370.db2.gz PXJOIUWQBMUJJC-CQSZACIVSA-N 1 0 381.523 2.218 20 0 GEADRO COCC[C@H]([NH3+])Cc1cn(Cc2nc3ccc(Br)cc3o2)nn1 ZINC000641131243 653161022 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GEADRO CC(C)COC[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641202578 653169527 /nfs/dbraw/zinc/16/95/27/653169527.db2.gz MXRBSFNBORVDLJ-ZBFHGGJFSA-N 1 0 383.290 2.122 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nn1)[C@H]1CCCO1 ZINC000641219272 653170874 /nfs/dbraw/zinc/17/08/74/653170874.db2.gz FSXZHMHHIUSLQD-DAXOMENPSA-N 1 0 387.267 2.204 20 0 GEADRO C[C@@](O)(Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1)C(F)(F)F ZINC000641223420 653171192 /nfs/dbraw/zinc/17/11/92/653171192.db2.gz HJSZFEWOYIVYPH-NWDGAFQWSA-N 1 0 379.180 2.402 20 0 GEADRO C[C@](O)(Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1)C(F)(F)F ZINC000641223419 653171336 /nfs/dbraw/zinc/17/13/36/653171336.db2.gz HJSZFEWOYIVYPH-NEPJUHHUSA-N 1 0 379.180 2.402 20 0 GEADRO C[C@@H](CNC(=O)c1nccn2c(Br)cnc12)[N@@H+]1CCCC[C@@H]1C ZINC000769692147 653171354 /nfs/dbraw/zinc/17/13/54/653171354.db2.gz LZIAUHQAOICBHQ-RYUDHWBXSA-N 1 0 380.290 2.485 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641229416 653171664 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C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1nccn2c(Br)cnc12 ZINC000769785070 653176957 /nfs/dbraw/zinc/17/69/57/653176957.db2.gz UZLCHZURQMOLNT-VXGBXAGGSA-N 1 0 380.290 2.485 20 0 GEADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCS(=O)(=O)CC1CC1 ZINC000773063190 653179127 /nfs/dbraw/zinc/17/91/27/653179127.db2.gz AZKWVFATIZHLEK-CQSZACIVSA-N 1 0 386.945 2.491 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNc2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641292305 653180501 /nfs/dbraw/zinc/18/05/01/653180501.db2.gz MVAACRCYEGKLQS-JTQLQIEISA-N 1 0 396.255 2.696 20 0 GEADRO CN(Cc1ccccc1OC(F)(F)F)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602437539 653181312 /nfs/dbraw/zinc/18/13/12/653181312.db2.gz BOFQVGSAENVKHS-VWLOTQADSA-N 1 0 378.416 2.044 20 0 GEADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)C[C@H](COC)OC ZINC000641297964 653181555 /nfs/dbraw/zinc/18/15/55/653181555.db2.gz HQWOGPWKEVITTK-INIZCTEOSA-N 1 0 378.579 2.389 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2nnc(-c3ccccc3Cl)s2)CC[NH2+]CC1 ZINC000602444561 653181700 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C[C@H]1[C@H]([NH+]2CCCC2)CCN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000808191585 653221798 /nfs/dbraw/zinc/22/17/98/653221798.db2.gz OFOWRYWXLVVOME-SWLSCSKDSA-N 1 0 392.297 2.495 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2c(Br)c(C)nn2C)C[C@H]1[NH+](C)C ZINC000603023121 653222221 /nfs/dbraw/zinc/22/22/21/653222221.db2.gz DHGWDNZKEQUASU-ZJUUUORDSA-N 1 0 376.324 2.000 20 0 GEADRO Cn1cc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000682731665 653222696 /nfs/dbraw/zinc/22/26/96/653222696.db2.gz OIBXHPRUQNWUSY-UHFFFAOYSA-N 1 0 379.302 2.352 20 0 GEADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000808226409 653223356 /nfs/dbraw/zinc/22/33/56/653223356.db2.gz CLJYWKIHABNFED-LBPRGKRZSA-N 1 0 378.274 2.171 20 0 GEADRO Cc1nc(CS(=O)(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cs1 ZINC000682834601 653224723 /nfs/dbraw/zinc/22/47/23/653224723.db2.gz SFEHCCVSKUZHTE-UHFFFAOYSA-N 1 0 383.539 2.402 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000774163226 653227078 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Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)n1 ZINC000774246829 653230742 /nfs/dbraw/zinc/23/07/42/653230742.db2.gz RMHODZGBSVQUJT-AWEZNQCLSA-N 1 0 382.302 2.479 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cnc(Br)cc2C)CC1 ZINC000774274131 653231916 /nfs/dbraw/zinc/23/19/16/653231916.db2.gz YQEXPQVBQAAPBM-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO COc1cnc(N[C@H]2CCCN(CCN3CCOCC3)C2)c(Br)c1 ZINC000641717461 653232084 /nfs/dbraw/zinc/23/20/84/653232084.db2.gz BKRDEUPLNCMJTH-AWEZNQCLSA-N 1 0 399.333 2.061 20 0 GEADRO C[N@H+](CC(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)[C@H]1CCSC1 ZINC000641739759 653232819 /nfs/dbraw/zinc/23/28/19/653232819.db2.gz JKXIPYHRULKCFW-SQWLQELKSA-N 1 0 376.444 2.074 20 0 GEADRO Cc1cc(Br)ccc1[C@@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000641773360 653233440 /nfs/dbraw/zinc/23/34/40/653233440.db2.gz HRHSTGBTLLAPQY-GFCCVEGCSA-N 1 0 376.316 2.348 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000683338719 653233995 /nfs/dbraw/zinc/23/39/95/653233995.db2.gz KUABXAGLERYQRJ-CYBMUJFWSA-N 1 0 376.906 2.128 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1C ZINC000774315202 653234049 /nfs/dbraw/zinc/23/40/49/653234049.db2.gz YFYDRDPJAFTFEF-NWDGAFQWSA-N 1 0 383.290 2.114 20 0 GEADRO CCCCNc1cc(C)[nH+]c(N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)n1 ZINC000631351123 653235259 /nfs/dbraw/zinc/23/52/59/653235259.db2.gz LEISCOUCWZPPBJ-RYUDHWBXSA-N 1 0 380.436 2.409 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000642047515 653237157 /nfs/dbraw/zinc/23/71/57/653237157.db2.gz VQCWYYIAINLSJL-CQSZACIVSA-N 1 0 394.313 2.355 20 0 GEADRO Cc1sc([C@H](C)NC(=O)C(=O)NC[C@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000642267263 653241157 /nfs/dbraw/zinc/24/11/57/653241157.db2.gz RFBWZAFVMVLQFL-UWVGGRQHSA-N 1 0 380.901 2.413 20 0 GEADRO CC[C@H](NC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000642355271 653244978 /nfs/dbraw/zinc/24/49/78/653244978.db2.gz VBFRYNZNZZPAKN-VIFPVBQESA-N 1 0 378.420 2.069 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)CC1 ZINC000642368971 653246116 /nfs/dbraw/zinc/24/61/16/653246116.db2.gz PVEYITGXYVPWHG-UHFFFAOYSA-N 1 0 388.693 2.059 20 0 GEADRO O=C(Cc1cccc(Cl)c1Cl)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000684049822 653251420 /nfs/dbraw/zinc/25/14/20/653251420.db2.gz FWZOZEJOCMSBFF-OAHLLOKOSA-N 1 0 386.323 2.059 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CC(O)(c3cccc(Br)c3)C2)C1 ZINC000856915857 653252022 /nfs/dbraw/zinc/25/20/22/653252022.db2.gz UTBVXWWUJYMBGB-CQSZACIVSA-N 1 0 396.329 2.394 20 0 GEADRO C[NH+]1CCC(NC(=S)N2CCN(c3nccc4sccc43)CC2)CC1 ZINC000809159957 653252139 /nfs/dbraw/zinc/25/21/39/653252139.db2.gz AFGFUIITGZHMPS-UHFFFAOYSA-N 1 0 375.567 2.387 20 0 GEADRO C[NH+](C)CCNC(=S)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000809160463 653252441 /nfs/dbraw/zinc/25/24/41/653252441.db2.gz QINZHDYETZAZKK-AWEZNQCLSA-N 1 0 377.432 2.395 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000809169030 653253621 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CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000809424356 653271011 /nfs/dbraw/zinc/27/10/11/653271011.db2.gz IFGCWUUGRBVQJC-UHFFFAOYSA-N 1 0 391.921 2.380 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857018241 653275906 /nfs/dbraw/zinc/27/59/06/653275906.db2.gz YYQQHBJZSOHFKT-NWDGAFQWSA-N 1 0 385.306 2.026 20 0 GEADRO Cc1c(Br)cc(C(=O)OCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(=O)n1C ZINC000835603628 653278549 /nfs/dbraw/zinc/27/85/49/653278549.db2.gz UPGZISDJGAGXQK-YHWZYXNKSA-N 1 0 383.286 2.486 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(Br)ccc3F)CC[C@@H]21 ZINC000874172771 653279577 /nfs/dbraw/zinc/27/95/77/653279577.db2.gz KXHKDSOJROJAKW-HZMBPMFUSA-N 1 0 384.249 2.079 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000809530543 653279807 /nfs/dbraw/zinc/27/98/07/653279807.db2.gz VSEDQACCNCJFNF-PMPSAXMXSA-N 1 0 387.615 2.063 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000874173298 653279891 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377.551 2.036 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNCc2nc3ccccn3c2Br)CC1 ZINC000809606118 653284225 /nfs/dbraw/zinc/28/42/25/653284225.db2.gz MLACVSDIQKHIJH-CQSZACIVSA-N 1 0 380.334 2.212 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)c1c(Br)nc2n1CCOC2 ZINC000857108734 653284362 /nfs/dbraw/zinc/28/43/62/653284362.db2.gz GUVWTDBVTWTZPL-UHFFFAOYSA-N 1 0 387.322 2.418 20 0 GEADRO CC[NH+]1CCN(CCCNCc2nc3ccccn3c2Br)CC1 ZINC000809632465 653286482 /nfs/dbraw/zinc/28/64/82/653286482.db2.gz QRAXAQOYGCJNLQ-UHFFFAOYSA-N 1 0 380.334 2.214 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc2ccccn2c1Br ZINC000809648261 653287130 /nfs/dbraw/zinc/28/71/30/653287130.db2.gz JYBZKYWBLBXPOO-CYBMUJFWSA-N 1 0 381.318 2.374 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2ncc(Br)s2)c1 ZINC000874216620 653289113 /nfs/dbraw/zinc/28/91/13/653289113.db2.gz XADOCWNLAJVXHK-UHFFFAOYSA-N 1 0 397.298 2.222 20 0 GEADRO C[C@@H](O)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000809663199 653289137 /nfs/dbraw/zinc/28/91/37/653289137.db2.gz RZEPFEZMFVPUNQ-SECBINFHSA-N 1 0 393.893 2.057 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000835713814 653293094 /nfs/dbraw/zinc/29/30/94/653293094.db2.gz USHSMUBGVGSKHY-MRXNPFEDSA-N 1 0 388.295 2.266 20 0 GEADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775161697 653295186 /nfs/dbraw/zinc/29/51/86/653295186.db2.gz HJMCNHHSDKRAHR-HNNXBMFYSA-N 1 0 386.323 2.453 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000685103252 653296430 /nfs/dbraw/zinc/29/64/30/653296430.db2.gz XTTHIQOEKWDTGT-UHFFFAOYSA-N 1 0 396.329 2.174 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000685102992 653296840 /nfs/dbraw/zinc/29/68/40/653296840.db2.gz DXHBUAAPQHARGL-INIZCTEOSA-N 1 0 396.329 2.363 20 0 GEADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000775168541 653298310 /nfs/dbraw/zinc/29/83/10/653298310.db2.gz PRJIFSHNWASVTA-CQSZACIVSA-N 1 0 378.344 2.267 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)[NH+]1CCC(C)CC1 ZINC000775170972 653299902 /nfs/dbraw/zinc/29/99/02/653299902.db2.gz WHGQZVMGPDQXME-KBPBESRZSA-N 1 0 378.344 2.169 20 0 GEADRO CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000857241692 653301610 /nfs/dbraw/zinc/30/16/10/653301610.db2.gz HKNUGNYYCKLZTF-NSHDSACASA-N 1 0 385.180 2.024 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000775199804 653304375 /nfs/dbraw/zinc/30/43/75/653304375.db2.gz XDEXNWKCTYRRPG-AVGNSLFASA-N 1 0 376.328 2.066 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857303039 653307494 /nfs/dbraw/zinc/30/74/94/653307494.db2.gz KIGHQPSWHIFDRA-NSHDSACASA-N 1 0 385.306 2.026 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857326795 653309523 /nfs/dbraw/zinc/30/95/23/653309523.db2.gz GZWGWBKBEURTIB-LBPRGKRZSA-N 1 0 385.306 2.026 20 0 GEADRO CC[C@@H]1CN(CC)CCN1C(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000835898311 653312586 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Nc1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc(Br)n1 ZINC000874456652 653320838 /nfs/dbraw/zinc/32/08/38/653320838.db2.gz NTVZLLNFCAIEGC-UHFFFAOYSA-N 1 0 397.317 2.191 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000810076734 653321683 /nfs/dbraw/zinc/32/16/83/653321683.db2.gz LTGVXUKMSMBOLN-UHFFFAOYSA-N 1 0 389.949 2.497 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)c(F)cc1Cl ZINC000810091335 653323725 /nfs/dbraw/zinc/32/37/25/653323725.db2.gz QHQCEMHWKBCOGA-SNVBAGLBSA-N 1 0 380.869 2.273 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@@H]1[NH+](C)C ZINC000775725239 653325986 /nfs/dbraw/zinc/32/59/86/653325986.db2.gz KJLPDPVKCYCRAC-NKWVEPMBSA-N 1 0 390.399 2.048 20 0 GEADRO O[C@@H](CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1)C[NH+]1CCCC1 ZINC000775734273 653327199 /nfs/dbraw/zinc/32/71/99/653327199.db2.gz TVCXLBHXKCSREE-RHSMWYFYSA-N 1 0 387.293 2.418 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000810179757 653329244 /nfs/dbraw/zinc/32/92/44/653329244.db2.gz FKYIUHXOJQDOFT-UKRRQHHQSA-N 1 0 390.981 2.415 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)cnc1Br ZINC000836126003 653332688 /nfs/dbraw/zinc/33/26/88/653332688.db2.gz HFUBKNSKYGFMQP-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cn1nnc(Br)c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000810436822 653339549 /nfs/dbraw/zinc/33/95/49/653339549.db2.gz TTXRKXJELUSTTQ-JQWIXIFHSA-N 1 0 398.330 2.452 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836279783 653342486 /nfs/dbraw/zinc/34/24/86/653342486.db2.gz WGIMBEIYKWYVMS-MRXNPFEDSA-N 1 0 377.360 2.428 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000874992749 653345366 /nfs/dbraw/zinc/34/53/66/653345366.db2.gz QVQFRCAXQBBCFV-XPKDYRNWSA-N 1 0 394.313 2.179 20 0 GEADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000875002401 653346561 /nfs/dbraw/zinc/34/65/61/653346561.db2.gz YVMXBNHCSISPNS-OCCSQVGLSA-N 1 0 376.328 2.210 20 0 GEADRO Cn1cc(CNCc2cc(F)ccc2N2CCOCC2)c(Br)n1 ZINC000858142584 653350090 /nfs/dbraw/zinc/35/00/90/653350090.db2.gz GHVSVKPWHMXYJM-UHFFFAOYSA-N 1 0 383.265 2.448 20 0 GEADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]CC2(CO)COC2)cc1Br ZINC000858154011 653351108 /nfs/dbraw/zinc/35/11/08/653351108.db2.gz WAKOAJXIECSZHM-NSHDSACASA-N 1 0 392.265 2.368 20 0 GEADRO COCO[C@H](C)c1cc(F)c(C[NH2+]CC2(CO)COC2)cc1Br ZINC000858154009 653351289 /nfs/dbraw/zinc/35/12/89/653351289.db2.gz WAKOAJXIECSZHM-LLVKDONJSA-N 1 0 392.265 2.368 20 0 GEADRO Cn1nnc(Br)c1C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000810666396 653351861 /nfs/dbraw/zinc/35/18/61/653351861.db2.gz MOPLSPJPDDTNKG-ZDUSSCGKSA-N 1 0 379.258 2.399 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000836438817 653352112 /nfs/dbraw/zinc/35/21/12/653352112.db2.gz NRGNUKKHCNKUOH-UHFFFAOYSA-N 1 0 391.921 2.225 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000858173593 653352317 /nfs/dbraw/zinc/35/23/17/653352317.db2.gz GMCLGESEMXTQQO-LBPRGKRZSA-N 1 0 379.258 2.123 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCc2ncc(Cl)s2)c1 ZINC000875119432 653353070 /nfs/dbraw/zinc/35/30/70/653353070.db2.gz CIGKUQKCQTWRFP-UHFFFAOYSA-N 1 0 380.901 2.181 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCSCCC(F)(F)F ZINC000875122314 653353279 /nfs/dbraw/zinc/35/32/79/653353279.db2.gz MGVTVZHFKJWHEF-QWHCGFSZSA-N 1 0 383.480 2.025 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000875133540 653354063 /nfs/dbraw/zinc/35/40/63/653354063.db2.gz LLFWQEKRNYDIJU-BBRMVZONSA-N 1 0 384.307 2.205 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000875133543 653354124 /nfs/dbraw/zinc/35/41/24/653354124.db2.gz LLFWQEKRNYDIJU-CZUORRHYSA-N 1 0 384.307 2.205 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000858221863 653355566 /nfs/dbraw/zinc/35/55/66/653355566.db2.gz LAZGWLDIAKFBKR-KRWDZBQOSA-N 1 0 376.469 2.441 20 0 GEADRO 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O=C(Cn1ccc(Br)cc1=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000876913334 653453531 /nfs/dbraw/zinc/45/35/31/653453531.db2.gz DGAFRDKKSCQVAW-UHFFFAOYSA-N 1 0 397.298 2.173 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccc(SC(F)(F)F)o3)C2)nn1 ZINC000876918849 653453854 /nfs/dbraw/zinc/45/38/54/653453854.db2.gz PFJDFILRJPZFJS-JTQLQIEISA-N 1 0 375.376 2.419 20 0 GEADRO CCOC(=O)N1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000876919013 653453992 /nfs/dbraw/zinc/45/39/92/653453992.db2.gz RAOCAPNQNOMBLQ-UHFFFAOYSA-N 1 0 382.262 2.202 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc(Br)cnc3F)C2)C1 ZINC000876945923 653455469 /nfs/dbraw/zinc/45/54/69/653455469.db2.gz CZAMKQGLBATPHI-MPKXVKKWSA-N 1 0 386.265 2.342 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)c1cccc(Br)c1 ZINC000876942573 653455614 /nfs/dbraw/zinc/45/56/14/653455614.db2.gz XOPQHXKSMRPZCO-MNQCNDSGSA-N 1 0 394.313 2.356 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc(Br)cnc3F)C2)C1 ZINC000876945926 653455673 /nfs/dbraw/zinc/45/56/73/653455673.db2.gz CZAMKQGLBATPHI-SUHUHFCYSA-N 1 0 386.265 2.342 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000876952761 653455922 /nfs/dbraw/zinc/45/59/22/653455922.db2.gz WBDKSYYKSKKRPI-OLZOCXBDSA-N 1 0 387.933 2.322 20 0 GEADRO COC(=O)[C@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1Br ZINC000876965983 653456608 /nfs/dbraw/zinc/45/66/08/653456608.db2.gz OFMJJYDMCZBBEZ-CPUCHLNUSA-N 1 0 381.270 2.312 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000876972202 653457279 /nfs/dbraw/zinc/45/72/79/653457279.db2.gz IFUAYIGFWRDDLA-LBPRGKRZSA-N 1 0 382.309 2.148 20 0 GEADRO CC(C)(C)c1nnc2n1CCN(C(=O)[C@@H]([NH3+])c1cccc(Br)c1)C2 ZINC000876979240 653457988 /nfs/dbraw/zinc/45/79/88/653457988.db2.gz YIJKECJHVDIPFW-AWEZNQCLSA-N 1 0 392.301 2.380 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C2 ZINC000876980757 653458004 /nfs/dbraw/zinc/45/80/04/653458004.db2.gz IIQXMZFFWSJXPJ-HQJQHLMTSA-N 1 0 391.262 2.087 20 0 GEADRO COC[C@]1(C(=O)Nc2cc(Cl)c(Br)cc2F)C[NH2+]CCO1 ZINC000876994037 653458686 /nfs/dbraw/zinc/45/86/86/653458686.db2.gz AKVVTSKQUJGIQE-ZDUSSCGKSA-N 1 0 381.629 2.185 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3nc(C)nn3C2)cc1Br ZINC000877003344 653459249 /nfs/dbraw/zinc/45/92/49/653459249.db2.gz REXALLOMVOTBGT-LBPRGKRZSA-N 1 0 379.258 2.240 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC1([NH3+])CCOCC1 ZINC000877014317 653459959 /nfs/dbraw/zinc/45/99/59/653459959.db2.gz VTRHLSVYUBRXDP-UHFFFAOYSA-N 1 0 395.253 2.102 20 0 GEADRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877016553 653459971 /nfs/dbraw/zinc/45/99/71/653459971.db2.gz HKSJWURRSSJXGH-UHFFFAOYSA-N 1 0 384.278 2.496 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000877017132 653459985 /nfs/dbraw/zinc/45/99/85/653459985.db2.gz LEXQHTMCIBQCQB-GHMZBOCLSA-N 1 0 398.834 2.343 20 0 GEADRO COC(=O)[C@]1(NC(=O)C[C@@H]([NH3+])C2CC2)CCc2cc(Br)ccc2C1 ZINC000877023567 653461345 /nfs/dbraw/zinc/46/13/45/653461345.db2.gz WPNJVPJTWWOPGH-QAPCUYQASA-N 1 0 395.297 2.093 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H](C)N2CCOCC2)cc1Br ZINC000877025290 653461534 /nfs/dbraw/zinc/46/15/34/653461534.db2.gz GBIRJNJPBJEITQ-STQMWFEESA-N 1 0 385.302 2.435 20 0 GEADRO Clc1ccc2sc(C[NH2+][C@H]3CCN(CCN4CCOCC4)C3)cc2n1 ZINC000877031035 653462025 /nfs/dbraw/zinc/46/20/25/653462025.db2.gz LRLBBAKTHLDSBB-AWEZNQCLSA-N 1 0 380.945 2.446 20 0 GEADRO COc1cccc([C@@H](O)C[NH2+]Cc2cnn3cc(Br)cnc23)c1 ZINC000877036355 653462557 /nfs/dbraw/zinc/46/25/57/653462557.db2.gz ORQBNUCSCGJMCC-HNNXBMFYSA-N 1 0 377.242 2.324 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000877049433 653463230 /nfs/dbraw/zinc/46/32/30/653463230.db2.gz VMLYFXKOKVBTBL-QWHCGFSZSA-N 1 0 387.933 2.239 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc(Br)c1 ZINC000877059312 653463873 /nfs/dbraw/zinc/46/38/73/653463873.db2.gz LRISFGPBLRSRGI-BMFZPTHFSA-N 1 0 392.253 2.196 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CC2(CS(C)(=O)=O)CC2)cc1Br ZINC000877082054 653464893 /nfs/dbraw/zinc/46/48/93/653464893.db2.gz MBAWDUKKKMZUFT-UHFFFAOYSA-N 1 0 390.299 2.150 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000877093739 653465261 /nfs/dbraw/zinc/46/52/61/653465261.db2.gz DFKNXQCXPPDZIY-OAHLLOKOSA-N 1 0 379.444 2.271 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000877095695 653465827 /nfs/dbraw/zinc/46/58/27/653465827.db2.gz ONDRMBCICHGWJV-CYBMUJFWSA-N 1 0 387.933 2.324 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000779102314 653466402 /nfs/dbraw/zinc/46/64/02/653466402.db2.gz JPFJVXFCEPVFRL-HUUCEWRRSA-N 1 0 391.331 2.198 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1cc2c(ccnc2Cl)o1)c1cccs1 ZINC000877113062 653466549 /nfs/dbraw/zinc/46/65/49/653466549.db2.gz YTYRACLAHAUFSY-SNVBAGLBSA-N 1 0 386.882 2.467 20 0 GEADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)CC1 ZINC000877124013 653467124 /nfs/dbraw/zinc/46/71/24/653467124.db2.gz RPKGHTOPJORWKS-FZNQNYSPSA-N 1 0 394.313 2.137 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000877126257 653467799 /nfs/dbraw/zinc/46/77/99/653467799.db2.gz ZZVXTBYUKBHTPK-HZPDHXFCSA-N 1 0 382.302 2.356 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000877157754 653469049 /nfs/dbraw/zinc/46/90/49/653469049.db2.gz BCRRAXHWTQCHGD-CQSZACIVSA-N 1 0 380.897 2.433 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000877174810 653470447 /nfs/dbraw/zinc/47/04/47/653470447.db2.gz WMOWCBPGQTYANB-TZMCWYRMSA-N 1 0 385.917 2.076 20 0 GEADRO COc1cc(Br)ccc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000877204783 653472208 /nfs/dbraw/zinc/47/22/08/653472208.db2.gz OAONFUYBBSFDBZ-NSHDSACASA-N 1 0 380.246 2.226 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)CCC(=O)c2ccc(I)cc2)C1 ZINC000877244021 653472528 /nfs/dbraw/zinc/47/25/28/653472528.db2.gz PMWCNHWKLJMANZ-MJHDQNEOSA-N 1 0 386.233 2.108 20 0 GEADRO CCn1ncc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH3+])C2)c1Br ZINC000877240062 653472816 /nfs/dbraw/zinc/47/28/16/653472816.db2.gz ZHZSCABRHHXHRO-LSDHHAIUSA-N 1 0 393.285 2.241 20 0 GEADRO COC[C@]1(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CCCC[NH2+]1 ZINC000877262114 653473563 /nfs/dbraw/zinc/47/35/63/653473563.db2.gz XDZLTQXORDKAPW-HPFXQQBRSA-N 1 0 379.298 2.362 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859556122 653473947 /nfs/dbraw/zinc/47/39/47/653473947.db2.gz FWNIIPIDTAVIRN-ABAIWWIYSA-N 1 0 393.285 2.322 20 0 GEADRO CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000813282111 653474355 /nfs/dbraw/zinc/47/43/55/653474355.db2.gz NKQFYZGZSYAVBB-UHFFFAOYSA-N 1 0 388.530 2.177 20 0 GEADRO O=C1OCCN1CCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000859574472 653474901 /nfs/dbraw/zinc/47/49/01/653474901.db2.gz LWKOCXCYQCIYFU-QGZVFWFLSA-N 1 0 383.286 2.101 20 0 GEADRO O=C(NCCNc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000779350557 653475255 /nfs/dbraw/zinc/47/52/55/653475255.db2.gz JNXWRWIVTCAYOW-HZPDHXFCSA-N 1 0 397.317 2.023 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1Br ZINC000877303309 653475641 /nfs/dbraw/zinc/47/56/41/653475641.db2.gz DDHMKKWAICXWNX-LBPRGKRZSA-N 1 0 390.299 2.293 20 0 GEADRO CO[C@@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000877328143 653476237 /nfs/dbraw/zinc/47/62/37/653476237.db2.gz HPQOVYWPUVVTFY-XJKSGUPXSA-N 1 0 397.313 2.412 20 0 GEADRO O=C(COc1ccccc1Br)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877330661 653476493 /nfs/dbraw/zinc/47/64/93/653476493.db2.gz GADHQCYTGXGFQZ-CYBMUJFWSA-N 1 0 383.286 2.103 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877333112 653476932 /nfs/dbraw/zinc/47/69/32/653476932.db2.gz OGAHXFCFJGXKCK-KGLIPLIRSA-N 1 0 397.313 2.491 20 0 GEADRO COc1cc(Br)ccc1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877333837 653476952 /nfs/dbraw/zinc/47/69/52/653476952.db2.gz DHFXQHKFPVWUIL-CYBMUJFWSA-N 1 0 383.286 2.346 20 0 GEADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1sc(N2CCCC2)nc1Cl ZINC000877333990 653477059 /nfs/dbraw/zinc/47/70/59/653477059.db2.gz HOFSUXZCRICGOF-GFCCVEGCSA-N 1 0 384.933 2.285 20 0 GEADRO CC(C)n1ncc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1Br ZINC000877353297 653477916 /nfs/dbraw/zinc/47/79/16/653477916.db2.gz PNEIXQKFNKXGRW-SCZZXKLOSA-N 1 0 383.212 2.436 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N(C)C[C@H](C)[NH3+])ccc1Cl ZINC000859620013 653478044 /nfs/dbraw/zinc/47/80/44/653478044.db2.gz ZZTCTSHOIZKQEP-NSHDSACASA-N 1 0 376.910 2.181 20 0 GEADRO C[C@H](CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)n1cc(Br)cn1 ZINC000877355881 653478701 /nfs/dbraw/zinc/47/87/01/653478701.db2.gz KVUWAZKGRKOPAG-KKZNHRDASA-N 1 0 383.212 2.192 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C(F)(F)F ZINC000877370134 653479861 /nfs/dbraw/zinc/47/98/61/653479861.db2.gz RBPCVKVMEKYCKX-GHMZBOCLSA-N 1 0 378.778 2.249 20 0 GEADRO Cc1csc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1I ZINC000877372506 653479982 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20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000862090871 653675300 /nfs/dbraw/zinc/67/53/00/653675300.db2.gz DPEKWEXEEZHALN-ZDUSSCGKSA-N 1 0 395.301 2.224 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnc(Br)c(C)c2)C[C@H]1C ZINC000783328721 653677596 /nfs/dbraw/zinc/67/75/96/653677596.db2.gz CYVCFNZBPGXJCC-OCCSQVGLSA-N 1 0 397.317 2.422 20 0 GEADRO COCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C1CCOCC1 ZINC000879706747 653679788 /nfs/dbraw/zinc/67/97/88/653679788.db2.gz UXYDAVFXINPHMQ-INIZCTEOSA-N 1 0 388.302 2.316 20 0 GEADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000862318235 653682966 /nfs/dbraw/zinc/68/29/66/653682966.db2.gz NLVHMZXDLBBRQW-QWHCGFSZSA-N 1 0 382.473 2.188 20 0 GEADRO C[NH+](C)CCN1CCN(C(=S)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000783720269 653683000 /nfs/dbraw/zinc/68/30/00/653683000.db2.gz WPKLFOFYCMPDKU-UHFFFAOYSA-N 1 0 376.448 2.461 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000879846231 653684063 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COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl ZINC000879940394 653689179 /nfs/dbraw/zinc/68/91/79/653689179.db2.gz NQWSBGCQFRNALQ-CHWSQXEVSA-N 1 0 386.901 2.044 20 0 GEADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)nc1Br ZINC000816681573 653690439 /nfs/dbraw/zinc/69/04/39/653690439.db2.gz ALKGUDMORBGPHY-LBPRGKRZSA-N 1 0 398.301 2.178 20 0 GEADRO C[NH+](C)CCNC(=S)NCc1c(Br)cncc1Br ZINC000840781122 653693722 /nfs/dbraw/zinc/69/37/22/653693722.db2.gz RAONZCPTZLMPHF-UHFFFAOYSA-N 1 0 396.152 2.132 20 0 GEADRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)c(Br)n1 ZINC000880046205 653694014 /nfs/dbraw/zinc/69/40/14/653694014.db2.gz QJIYHDDGVXMMPB-UHFFFAOYSA-N 1 0 381.278 2.173 20 0 GEADRO Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=S)NCCC[NH+](C)C)c1 ZINC000840809432 653695194 /nfs/dbraw/zinc/69/51/94/653695194.db2.gz GNEGILRRJVKBQM-UHFFFAOYSA-N 1 0 376.448 2.412 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000862792462 653695458 /nfs/dbraw/zinc/69/54/58/653695458.db2.gz VWAWBYJJPRAYDT-ZDUSSCGKSA-N 1 0 392.301 2.492 20 0 GEADRO CC[C@@H](NC(=S)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)c1cccs1 ZINC000840822084 653695611 /nfs/dbraw/zinc/69/56/11/653695611.db2.gz CTWDWFCTJWCUDH-LSDHHAIUSA-N 1 0 380.583 2.360 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(NC(=S)NCCCC[N@H+](C)C2CC2)c1 ZINC000840837040 653696088 /nfs/dbraw/zinc/69/60/88/653696088.db2.gz OAUMXHAXSXNOAI-UHFFFAOYSA-N 1 0 384.571 2.098 20 0 GEADRO Cn1cc(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c(Br)n1 ZINC000880065751 653696613 /nfs/dbraw/zinc/69/66/13/653696613.db2.gz HELQLYXGGZDALS-UHFFFAOYSA-N 1 0 382.266 2.290 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3nc(Br)ccc3Br)[C@H]2C1 ZINC000816951095 653697067 /nfs/dbraw/zinc/69/70/67/653697067.db2.gz HIUGUIZZFRGMTN-SCZZXKLOSA-N 1 0 389.091 2.383 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cnn(-c4ccccc4)c3Br)[C@H]2C1 ZINC000816950247 653697073 /nfs/dbraw/zinc/69/70/73/653697073.db2.gz OLAFFOFFPMVAOO-DOMZBBRYSA-N 1 0 375.270 2.411 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000784642870 653697598 /nfs/dbraw/zinc/69/75/98/653697598.db2.gz CCWBDUJXCQSIAM-AEGPPILISA-N 1 0 389.949 2.499 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000880131002 653698678 /nfs/dbraw/zinc/69/86/78/653698678.db2.gz AHAHVEYGLLCUNK-LSDHHAIUSA-N 1 0 377.286 2.126 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)COc3ccc(C=O)cc3Br)C2)C1 ZINC000817043586 653698882 /nfs/dbraw/zinc/69/88/82/653698882.db2.gz MXEVBBVFKPEAIE-QGZVFWFLSA-N 1 0 381.270 2.195 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1cccc(I)c1 ZINC000880135307 653698866 /nfs/dbraw/zinc/69/88/66/653698866.db2.gz TWLLABDVOBQCJR-CABCVRRESA-N 1 0 399.276 2.398 20 0 GEADRO Cc1ccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(Br)n1 ZINC000862960043 653698994 /nfs/dbraw/zinc/69/89/94/653698994.db2.gz DXKJZGIVFGLAGK-UHFFFAOYSA-N 1 0 382.302 2.479 20 0 GEADRO COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)O1 ZINC000863037853 653700898 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GEADRO C[NH+]1CCC(n2cc(NC(=O)NCc3cc(Br)no3)cn2)CC1 ZINC000880379065 653705118 /nfs/dbraw/zinc/70/51/18/653705118.db2.gz OQFBUAAKYIAJNO-UHFFFAOYSA-N 1 0 383.250 2.222 20 0 GEADRO CC(C)([NH3+])CNCc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000841031360 653705382 /nfs/dbraw/zinc/70/53/82/653705382.db2.gz RRODSQVWHPVVLO-UHFFFAOYSA-N 1 0 395.388 2.413 20 0 GEADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000841076601 653705988 /nfs/dbraw/zinc/70/59/88/653705988.db2.gz JWKIIGRGOVPKDD-OWCLPIDISA-N 1 0 379.551 2.230 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(Cn2ncn(CC(F)(F)F)c2=S)CC1 ZINC000863314084 653706176 /nfs/dbraw/zinc/70/61/76/653706176.db2.gz AJRAJCIFRHFLAC-UHFFFAOYSA-N 1 0 379.452 2.121 20 0 GEADRO C[C@]12CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)C[C@H]1C2(Cl)Cl ZINC000841124952 653706742 /nfs/dbraw/zinc/70/67/42/653706742.db2.gz ARCWKZOQKULOAO-PBHICJAKSA-N 1 0 382.291 2.313 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cnc(Br)c(Br)c1 ZINC000841141246 653707361 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CN(C(=O)C(=O)Nc1cc(F)cc(F)c1Br)C1CCC([NH3+])CC1 ZINC000841188298 653709722 /nfs/dbraw/zinc/70/97/22/653709722.db2.gz JKNSKZRAVIHGHE-UHFFFAOYSA-N 1 0 390.228 2.394 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841190925 653709870 /nfs/dbraw/zinc/70/98/70/653709870.db2.gz YMLOGBKPXCJPLA-GFCCVEGCSA-N 1 0 391.269 2.146 20 0 GEADRO COc1cc(Br)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000880629821 653710113 /nfs/dbraw/zinc/71/01/13/653710113.db2.gz MVMZBGQEDMPUCC-ZDUSSCGKSA-N 1 0 386.290 2.426 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)n1 ZINC000841198180 653710271 /nfs/dbraw/zinc/71/02/71/653710271.db2.gz OZQYPFHEQPMUHF-CYBMUJFWSA-N 1 0 395.301 2.082 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817403024 653710574 /nfs/dbraw/zinc/71/05/74/653710574.db2.gz ZYRJOZQJJUNZKT-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO Cn1nc(Br)cc1CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000785514351 653711154 /nfs/dbraw/zinc/71/11/54/653711154.db2.gz OLJTVIHQAQVVMV-MRXNPFEDSA-N 1 0 393.329 2.429 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cnc(Cl)c1Br ZINC000841228489 653711308 /nfs/dbraw/zinc/71/13/08/653711308.db2.gz FCIGOEVAKOFGNE-VXNVDRBHSA-N 1 0 389.681 2.001 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@@H]1[NH3+] ZINC000841229937 653711330 /nfs/dbraw/zinc/71/13/30/653711330.db2.gz SMHVQLHLFDVQHQ-KWQFWETISA-N 1 0 389.681 2.022 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)CCCO1 ZINC000841241335 653712085 /nfs/dbraw/zinc/71/20/85/653712085.db2.gz KHFNHPQATLKVAK-SECBINFHSA-N 1 0 397.195 2.444 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc2s1 ZINC000841275532 653712946 /nfs/dbraw/zinc/71/29/46/653712946.db2.gz DGYZRHATKXVSNC-QWRGUYRKSA-N 1 0 378.523 2.400 20 0 GEADRO [NH3+]CCOc1cccc(NC(=O)NCCCn2cc(Br)cn2)c1 ZINC000841287243 653713140 /nfs/dbraw/zinc/71/31/40/653713140.db2.gz YTBASGAVOKMNGZ-UHFFFAOYSA-N 1 0 382.262 2.195 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880802474 653714346 /nfs/dbraw/zinc/71/43/46/653714346.db2.gz NQDVJCZURITDKY-UHFFFAOYSA-N 1 0 386.290 2.474 20 0 GEADRO NC(=NOCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000863485752 653714384 /nfs/dbraw/zinc/71/43/84/653714384.db2.gz QLJAILVPZOXNCK-UHFFFAOYSA-N 1 0 395.301 2.039 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817575834 653714735 /nfs/dbraw/zinc/71/47/35/653714735.db2.gz KDSWOYKWCHJWRO-CQSZACIVSA-N 1 0 387.347 2.110 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000863505633 653714860 /nfs/dbraw/zinc/71/48/60/653714860.db2.gz PINQCHWCCRNCCN-ZDUSSCGKSA-N 1 0 378.523 2.139 20 0 GEADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000863549432 653715440 /nfs/dbraw/zinc/71/54/40/653715440.db2.gz DBROFVKDOAUNLL-CVEARBPZSA-N 1 0 398.276 2.345 20 0 GEADRO COC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000863570405 653715843 /nfs/dbraw/zinc/71/58/43/653715843.db2.gz GNRKLMKJMKJPKJ-KGLIPLIRSA-N 1 0 388.233 2.179 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000863571037 653715949 /nfs/dbraw/zinc/71/59/49/653715949.db2.gz OVMDCZFIOFVTRZ-WMZOPIPTSA-N 1 0 389.323 2.232 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000841453862 653717813 /nfs/dbraw/zinc/71/78/13/653717813.db2.gz YLZRVBXTVWUHLP-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000863763512 653719716 /nfs/dbraw/zinc/71/97/16/653719716.db2.gz DWGIEBJVTATWAM-GHMZBOCLSA-N 1 0 376.284 2.025 20 0 GEADRO COc1cc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000841487960 653720339 /nfs/dbraw/zinc/72/03/39/653720339.db2.gz ARTDISSGBMWSGV-CQSZACIVSA-N 1 0 388.917 2.270 20 0 GEADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2sc(Cl)nc2c1 ZINC000841492105 653720694 /nfs/dbraw/zinc/72/06/94/653720694.db2.gz OIOJHUWBAGKTDM-LLVKDONJSA-N 1 0 389.930 2.075 20 0 GEADRO C[NH2+]C1(CNC(=O)c2nc(Br)ccc2Br)CCC1 ZINC000863922192 653722268 /nfs/dbraw/zinc/72/22/68/653722268.db2.gz PJZFUUICTRKJNN-UHFFFAOYSA-N 1 0 377.080 2.479 20 0 GEADRO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc(Br)cs1 ZINC000817972699 653723099 /nfs/dbraw/zinc/72/30/99/653723099.db2.gz NUTFQAZWTWPSTK-DTWKUNHWSA-N 1 0 387.269 2.392 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000818002141 653723458 /nfs/dbraw/zinc/72/34/58/653723458.db2.gz UTRCCRHBUSAHRL-QWHCGFSZSA-N 1 0 377.539 2.286 20 0 GEADRO O=C(/C=C\c1ccc(Br)o1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000818002678 653723466 /nfs/dbraw/zinc/72/34/66/653723466.db2.gz CEAZCYFCPDDOFQ-VURMDHGXSA-N 1 0 382.302 2.388 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000818002139 653723486 /nfs/dbraw/zinc/72/34/86/653723486.db2.gz UTRCCRHBUSAHRL-CHWSQXEVSA-N 1 0 377.539 2.286 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCC[NH2+]C)ccc1Cl ZINC000818014536 653723863 /nfs/dbraw/zinc/72/38/63/653723863.db2.gz IKARSVUVLBBWMF-UHFFFAOYSA-N 1 0 375.922 2.052 20 0 GEADRO O=C(NCCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1)Nc1ccc(Br)cc1 ZINC000818017215 653724017 /nfs/dbraw/zinc/72/40/17/653724017.db2.gz XQIZOOUFNVXFCM-KRWDZBQOSA-N 1 0 395.301 2.315 20 0 GEADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016694 653724029 /nfs/dbraw/zinc/72/40/29/653724029.db2.gz LZAKBALIGWJJOZ-KRWDZBQOSA-N 1 0 398.276 2.063 20 0 GEADRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000818022143 653724065 /nfs/dbraw/zinc/72/40/65/653724065.db2.gz SEKPTIMXMFPNGB-YRGRVCCFSA-N 1 0 387.933 2.036 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000818025250 653724181 /nfs/dbraw/zinc/72/41/81/653724181.db2.gz ZYOKBRJEZMTFFA-MDZLAQPJSA-N 1 0 378.416 2.426 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)NCCc1ccc(I)cc1 ZINC000864056395 653725061 /nfs/dbraw/zinc/72/50/61/653725061.db2.gz IAGMHPQHGDKRIJ-UHFFFAOYSA-N 1 0 399.276 2.499 20 0 GEADRO CCOC(CC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)OCC ZINC000786833267 653728509 /nfs/dbraw/zinc/72/85/09/653728509.db2.gz CNBLVIXATFCDDR-ZDUSSCGKSA-N 1 0 393.937 2.083 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1Br)[NH+]1CCCCC1 ZINC000786818018 653728546 /nfs/dbraw/zinc/72/85/46/653728546.db2.gz SRXWJPFZXBAFFK-ZDUSSCGKSA-N 1 0 382.302 2.056 20 0 GEADRO Cc1ccc(/C=C/C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(Br)c1 ZINC000818290969 653728822 /nfs/dbraw/zinc/72/88/22/653728822.db2.gz JKPOZWWDZPAJQO-QRBHQTINSA-N 1 0 389.297 2.458 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@@H](O)c2cccc(Br)c2)nn1)C1CCOCC1 ZINC000881406737 653729965 /nfs/dbraw/zinc/72/99/65/653729965.db2.gz KVPJYKJOBIYJMK-HZPDHXFCSA-N 1 0 381.274 2.201 20 0 GEADRO COc1cc([C@H](C)[NH2+]CCCCS(C)(=O)=O)ccc1S(=O)(=O)C(F)F ZINC000818351248 653730255 /nfs/dbraw/zinc/73/02/55/653730255.db2.gz ZUHWCUPSANCLMP-NSHDSACASA-N 1 0 399.481 2.167 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cccc2c1COC2=O ZINC000841546179 653730928 /nfs/dbraw/zinc/73/09/28/653730928.db2.gz BEJPFEPHHQYTGM-UHFFFAOYSA-N 1 0 380.491 2.171 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)CCN3C(=S)N=NC3c3cccs3)CC[C@H]21 ZINC000881440261 653731326 /nfs/dbraw/zinc/73/13/26/653731326.db2.gz XJMSOISGJDAZCO-QWHCGFSZSA-N 1 0 377.539 2.238 20 0 GEADRO C[C@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)[C@H]1C[NH3+] ZINC000818519459 653732261 /nfs/dbraw/zinc/73/22/61/653732261.db2.gz YMLYHUYHMQDXBJ-NHYWBVRUSA-N 1 0 378.274 2.229 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881476832 653732358 /nfs/dbraw/zinc/73/23/58/653732358.db2.gz RDOUJWRWXBBGQG-MRXNPFEDSA-N 1 0 397.313 2.457 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881477335 653732361 /nfs/dbraw/zinc/73/23/61/653732361.db2.gz UKSMKXXSGDZKFL-CYBMUJFWSA-N 1 0 398.301 2.231 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000818555169 653733449 /nfs/dbraw/zinc/73/34/49/653733449.db2.gz NUKRICBVHPFEQB-CYBMUJFWSA-N 1 0 389.949 2.474 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1Cl ZINC000818563032 653733601 /nfs/dbraw/zinc/73/36/01/653733601.db2.gz AYWFLPZOASSWSM-STQMWFEESA-N 1 0 387.933 2.180 20 0 GEADRO C[C@H]1CN(C(=O)c2c(Br)nc3n2CCC3)CCN1c1cc[nH+]cc1 ZINC000881630998 653734253 /nfs/dbraw/zinc/73/42/53/653734253.db2.gz PKOYJWTZKLJBHV-LBPRGKRZSA-N 1 0 390.285 2.338 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000818595488 653734497 /nfs/dbraw/zinc/73/44/97/653734497.db2.gz NOSAKVVNOVSRTD-ZDUSSCGKSA-N 1 0 385.917 2.142 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000787269868 653736256 /nfs/dbraw/zinc/73/62/56/653736256.db2.gz RQGDOEKGTZEBJS-GASCZTMLSA-N 1 0 395.345 2.441 20 0 GEADRO CN(Cc1cc(Br)nn1C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000787277077 653736550 /nfs/dbraw/zinc/73/65/50/653736550.db2.gz WCQVUISXAVWMOL-SFHVURJKSA-N 1 0 393.329 2.251 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000841573010 653736812 /nfs/dbraw/zinc/73/68/12/653736812.db2.gz UMHDVZIRJVLEPG-UHFFFAOYSA-N 1 0 389.905 2.017 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc(Br)cc1=O)c1ccccc1 ZINC000864480923 653737554 /nfs/dbraw/zinc/73/75/54/653737554.db2.gz RVFMGTIQPVXQMX-HNNXBMFYSA-N 1 0 378.270 2.030 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000818947587 653739028 /nfs/dbraw/zinc/73/90/28/653739028.db2.gz GSIWRQHIPXPHRM-MRXNPFEDSA-N 1 0 399.310 2.051 20 0 GEADRO O=C(NCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)c1cccnc1 ZINC000818957181 653739396 /nfs/dbraw/zinc/73/93/96/653739396.db2.gz RRHCEFHORDKZKR-HNNXBMFYSA-N 1 0 382.233 2.036 20 0 GEADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000818957759 653739469 /nfs/dbraw/zinc/73/94/69/653739469.db2.gz DZFXUUBNQVZGDX-KRWDZBQOSA-N 1 0 386.876 2.222 20 0 GEADRO C[C@](O)(C[NH2+]CCc1nnc2n1CCC2)c1ccc(Br)cc1F ZINC000818965283 653739573 /nfs/dbraw/zinc/73/95/73/653739573.db2.gz GVWSWWJSOLSFSJ-INIZCTEOSA-N 1 0 383.265 2.166 20 0 GEADRO CCS(=O)(=O)CC[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000818974121 653739619 /nfs/dbraw/zinc/73/96/19/653739619.db2.gz FBUZTQJWZYTDBA-ZDUSSCGKSA-N 1 0 375.332 2.300 20 0 GEADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818997496 653740353 /nfs/dbraw/zinc/74/03/53/653740353.db2.gz BUNPPPFZEDYNGS-SJORKVTESA-N 1 0 398.345 2.015 20 0 GEADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C)CC1 ZINC000819057214 653742017 /nfs/dbraw/zinc/74/20/17/653742017.db2.gz UOKWJWVLLGFZJJ-ODCWNRFASA-N 1 0 376.563 2.131 20 0 GEADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819061048 653742226 /nfs/dbraw/zinc/74/22/26/653742226.db2.gz NHTCPYGISKCYHD-CYBMUJFWSA-N 1 0 382.295 2.425 20 0 GEADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000819082257 653742695 /nfs/dbraw/zinc/74/26/95/653742695.db2.gz WHFNCKUYXGPZOP-GDBMZVCRSA-N 1 0 377.547 2.174 20 0 GEADRO C[C@@H](C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)CN1CCOCC1 ZINC000819089420 653743029 /nfs/dbraw/zinc/74/30/29/653743029.db2.gz JPXIPPTXPKQFKK-GUYCJALGSA-N 1 0 389.309 2.354 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(Br)c1 ZINC000841983520 653743064 /nfs/dbraw/zinc/74/30/64/653743064.db2.gz TXPBSVUAPHNYEB-STQMWFEESA-N 1 0 384.274 2.305 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(Br)c1 ZINC000841987050 653743130 /nfs/dbraw/zinc/74/31/30/653743130.db2.gz PTTHHFNYZYQPNT-MFKMUULPSA-N 1 0 384.274 2.175 20 0 GEADRO Cc1cc(C)cc([C@@H](O)C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000819149169 653744444 /nfs/dbraw/zinc/74/44/44/653744444.db2.gz GOFULHLDJDFOKV-HNNXBMFYSA-N 1 0 380.432 2.240 20 0 GEADRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000819146211 653744449 /nfs/dbraw/zinc/74/44/49/653744449.db2.gz NEQPPUCFRGSTKY-SWLSCSKDSA-N 1 0 380.432 2.055 20 0 GEADRO O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000819172276 653744947 /nfs/dbraw/zinc/74/49/47/653744947.db2.gz BYTMXELLCIWOHW-RCCFBDPRSA-N 1 0 383.330 2.450 20 0 GEADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000819178893 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CC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000842486273 653758770 /nfs/dbraw/zinc/75/87/70/653758770.db2.gz WTHMXZJDRZHQAC-JQWIXIFHSA-N 1 0 389.315 2.257 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000842486272 653758833 /nfs/dbraw/zinc/75/88/33/653758833.db2.gz WTHMXZJDRZHQAC-CMPLNLGQSA-N 1 0 389.315 2.257 20 0 GEADRO COc1ccccc1[C@H](O)C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000788561671 653759846 /nfs/dbraw/zinc/75/98/46/653759846.db2.gz GVBRXXPBCLUFTJ-IUODEOHRSA-N 1 0 381.270 2.331 20 0 GEADRO C[NH2+]C[C@@H](C)c1noc(CS(=O)(=O)Cc2ccc(Br)cc2)n1 ZINC000842581681 653759868 /nfs/dbraw/zinc/75/98/68/653759868.db2.gz YNJJHSVEWIBEON-SNVBAGLBSA-N 1 0 388.287 2.270 20 0 GEADRO CC(C)C[C@H]([NH3+])c1noc(C[C@H](C)NS(=O)(=O)c2cccnc2Cl)n1 ZINC000842586005 653760028 /nfs/dbraw/zinc/76/00/28/653760028.db2.gz KVVMJUKXFZBXGL-QWRGUYRKSA-N 1 0 387.893 2.073 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1Cl ZINC000788597690 653760393 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CC(=O)c1cc(Br)cc(F)c1OCC(=O)NC1CC[NH+](C)CC1 ZINC000865363785 653762637 /nfs/dbraw/zinc/76/26/37/653762637.db2.gz CTZHCGXGJRALQS-UHFFFAOYSA-N 1 0 387.249 2.380 20 0 GEADRO CN(C)C(=O)CN1CCC([NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842678851 653762651 /nfs/dbraw/zinc/76/26/51/653762651.db2.gz VHPWXVQNBQYAFF-UHFFFAOYSA-N 1 0 389.725 2.140 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000788670930 653762714 /nfs/dbraw/zinc/76/27/14/653762714.db2.gz LOKSDEAOASKPPH-COXVUDFISA-N 1 0 395.297 2.074 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)nc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000788674561 653762865 /nfs/dbraw/zinc/76/28/65/653762865.db2.gz HAIHDNQWADFLMX-STQMWFEESA-N 1 0 375.947 2.244 20 0 GEADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000842689189 653763118 /nfs/dbraw/zinc/76/31/18/653763118.db2.gz XGRXEVVYCSWAFR-UHFFFAOYSA-N 1 0 375.437 2.442 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000842697263 653763368 /nfs/dbraw/zinc/76/33/68/653763368.db2.gz 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CC1CCC2(CC1)OC[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)O2 ZINC000865522452 653767636 /nfs/dbraw/zinc/76/76/36/653767636.db2.gz RYPKFYZDRGGFAC-KDJCLPLCSA-N 1 0 388.917 2.399 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)CC[C@@H]1[NH3+] ZINC000842797873 653768009 /nfs/dbraw/zinc/76/80/09/653768009.db2.gz MJBHKWNULSXVSY-NHYWBVRUSA-N 1 0 389.315 2.400 20 0 GEADRO Cc1ccnc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1Br ZINC000865564892 653768581 /nfs/dbraw/zinc/76/85/81/653768581.db2.gz KBTOCMYWHPFJBQ-OLZOCXBDSA-N 1 0 390.347 2.350 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CC1(S(C)(=O)=O)CCCC1)CC(F)F ZINC000865566693 653768817 /nfs/dbraw/zinc/76/88/17/653768817.db2.gz NIILTCXLLFKNFW-LBPRGKRZSA-N 1 0 384.489 2.482 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000865588397 653769121 /nfs/dbraw/zinc/76/91/21/653769121.db2.gz DTGDJGGIWVHJJB-OAHLLOKOSA-N 1 0 382.302 2.088 20 0 GEADRO CCC[NH2+]CCNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842821168 653769470 /nfs/dbraw/zinc/76/94/70/653769470.db2.gz SQWGWJQLPLITLH-UHFFFAOYSA-N 1 0 395.710 2.028 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(Cl)cc1Cl ZINC000842833699 653770005 /nfs/dbraw/zinc/77/00/05/653770005.db2.gz LZJUJPWJMYPZEN-PRHODGIISA-N 1 0 381.281 2.056 20 0 GEADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000842851319 653770442 /nfs/dbraw/zinc/77/04/42/653770442.db2.gz FNXSSTAVOWQELF-SEIPJRMCSA-N 1 0 397.850 2.066 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c(Cl)cc1Cl ZINC000842849185 653770454 /nfs/dbraw/zinc/77/04/54/653770454.db2.gz XWCKYWYGGVMTMB-AWEZNQCLSA-N 1 0 381.281 2.139 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000820273421 653770579 /nfs/dbraw/zinc/77/05/79/653770579.db2.gz UJUCCPRNNOKEOK-HOCLYGCPSA-N 1 0 389.297 2.470 20 0 GEADRO COC[C@]1(CNS(=O)(=O)/C=C/c2ccc(Br)cc2)CCC[NH2+]1 ZINC000842860121 653770823 /nfs/dbraw/zinc/77/08/23/653770823.db2.gz ZMBDOCWWDHQRAT-JOZWUWCOSA-N 1 0 389.315 2.108 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H]2CCSC2)cc1Br ZINC000865652002 653770979 /nfs/dbraw/zinc/77/09/79/653770979.db2.gz LVXBKHRIXLPWKI-JTQLQIEISA-N 1 0 379.345 2.329 20 0 GEADRO CS(=O)(=O)Nc1ccc(OCCNc2cc[nH+]cc2C(F)(F)F)cc1 ZINC000865658095 653771235 /nfs/dbraw/zinc/77/12/35/653771235.db2.gz WTOAEVRLZWKWDX-UHFFFAOYSA-N 1 0 375.372 2.385 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)c1ccc(Br)cc1S(N)(=O)=O ZINC000865712436 653772491 /nfs/dbraw/zinc/77/24/91/653772491.db2.gz XWLSWKGTULPOPN-UHFFFAOYSA-N 1 0 376.320 2.017 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(c2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000882264132 653773436 /nfs/dbraw/zinc/77/34/36/653773436.db2.gz PALHHMTYZNJNKO-SNVBAGLBSA-N 1 0 397.239 2.489 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)cn2)[C@H](O)C1 ZINC000865748287 653773832 /nfs/dbraw/zinc/77/38/32/653773832.db2.gz SOCUQRQSCHVCCB-ZIAGYGMSSA-N 1 0 386.290 2.304 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1Br ZINC000865751100 653773996 /nfs/dbraw/zinc/77/39/96/653773996.db2.gz VERQHROPORIURF-CYBMUJFWSA-N 1 0 398.349 2.125 20 0 GEADRO O=C1OC[C@]2(C[NH2+]Cc3ccc(Br)c4cccnc34)COCCN12 ZINC000865770146 653774357 /nfs/dbraw/zinc/77/43/57/653774357.db2.gz OPKWOKUBQHEYAZ-KRWDZBQOSA-N 1 0 392.253 2.308 20 0 GEADRO O=C1OC[C@]2(C[NH2+]Cc3ccnc4c(Br)cccc34)COCCN12 ZINC000865770347 653774368 /nfs/dbraw/zinc/77/43/68/653774368.db2.gz KLYITSFLMOACNR-KRWDZBQOSA-N 1 0 392.253 2.308 20 0 GEADRO C[C@@H](C[NH2+]Cc1cn(C)nc1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000865784499 653774977 /nfs/dbraw/zinc/77/49/77/653774977.db2.gz ZIHAIZMCEKSBAB-NSHDSACASA-N 1 0 386.315 2.479 20 0 GEADRO COc1cc(I)ccc1C(=O)NCCCC[NH+](C)C ZINC000865797600 653775507 /nfs/dbraw/zinc/77/55/07/653775507.db2.gz LPSQPTKPUPCTMK-UHFFFAOYSA-N 1 0 376.238 2.371 20 0 GEADRO CCOC(=O)C1(S(C)(=O)=O)CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865801991 653775707 /nfs/dbraw/zinc/77/57/07/653775707.db2.gz IYRXMPGVKFGXNZ-UHFFFAOYSA-N 1 0 380.388 2.047 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000865806710 653775730 /nfs/dbraw/zinc/77/57/30/653775730.db2.gz MOBUIPLHNGZZEJ-WBMJQRKESA-N 1 0 384.318 2.473 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000820504044 653775750 /nfs/dbraw/zinc/77/57/50/653775750.db2.gz PPEVISHCGIFLHM-IINYFYTJSA-N 1 0 389.315 2.017 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865814080 653776013 /nfs/dbraw/zinc/77/60/13/653776013.db2.gz PWVYOCSSYGGRAP-JTQLQIEISA-N 1 0 381.311 2.424 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000843038241 653777794 /nfs/dbraw/zinc/77/77/94/653777794.db2.gz HZNWTXYWZACUJT-RKDXNWHRSA-N 1 0 383.392 2.236 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000843041447 653777842 /nfs/dbraw/zinc/77/78/42/653777842.db2.gz YTROTOXOPUXAAS-QWRGUYRKSA-N 1 0 377.894 2.011 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000843051130 653778116 /nfs/dbraw/zinc/77/81/16/653778116.db2.gz AORCIERAPMBCKI-UHFFFAOYSA-N 1 0 378.217 2.301 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000843051978 653778125 /nfs/dbraw/zinc/77/81/25/653778125.db2.gz JLCLHHXQGCBWCY-UHFFFAOYSA-N 1 0 378.217 2.301 20 0 GEADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843065156 653778605 /nfs/dbraw/zinc/77/86/05/653778605.db2.gz JVYDFDKSFDNAHE-DOTOQJQBSA-N 1 0 380.286 2.339 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084843 653778667 /nfs/dbraw/zinc/77/86/67/653778667.db2.gz RWFXPOBQPOBVLB-HZPDHXFCSA-N 1 0 387.860 2.239 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@H](O)C1CCOCC1)c1ccc(Br)cc1F ZINC000843083680 653778739 /nfs/dbraw/zinc/77/87/39/653778739.db2.gz RKGKXUVVGFBHFP-JKSUJKDBSA-N 1 0 376.266 2.173 20 0 GEADRO CC(C)COC[C@H](O)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000843069846 653778774 /nfs/dbraw/zinc/77/87/74/653778774.db2.gz SVFGOHILVLCANL-CZUORRHYSA-N 1 0 378.282 2.419 20 0 GEADRO C[C@](O)(C[NH2+]C[C@]1(CCO)CCOC1)c1ccc(Br)cc1F ZINC000843100338 653779236 /nfs/dbraw/zinc/77/92/36/653779236.db2.gz JAXYPKJONNAVAI-HOTGVXAUSA-N 1 0 376.266 2.174 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)Cc1ccc(Br)cc1 ZINC000843109872 653779659 /nfs/dbraw/zinc/77/96/59/653779659.db2.gz HVCRACUVWXRTMH-DYVFJYSZSA-N 1 0 383.261 2.457 20 0 GEADRO C[C@H]1C[C@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000820656117 653779738 /nfs/dbraw/zinc/77/97/38/653779738.db2.gz DCMHBPCISVVLSD-ONGXEEELSA-N 1 0 377.905 2.432 20 0 GEADRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(N)nc(Br)c2)C[C@H](C)O1 ZINC000820673658 653780086 /nfs/dbraw/zinc/78/00/86/653780086.db2.gz HVELORUJVGKEAT-RYUDHWBXSA-N 1 0 385.306 2.046 20 0 GEADRO CN(Cc1nc(CC2CC[NH2+]CC2)no1)C(=O)c1ccc(Br)o1 ZINC000843133174 653780179 /nfs/dbraw/zinc/78/01/79/653780179.db2.gz ONZMIDGGWPJVGO-UHFFFAOYSA-N 1 0 383.246 2.239 20 0 GEADRO OCC[NH2+]C1CCN(c2ncc(I)c3ccccc32)CC1 ZINC000820680583 653780226 /nfs/dbraw/zinc/78/02/26/653780226.db2.gz CKTRMZZLFIINLV-UHFFFAOYSA-N 1 0 397.260 2.390 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2cc(Br)no2)(N2CCCCC2)CC1 ZINC000865945255 653781057 /nfs/dbraw/zinc/78/10/57/653781057.db2.gz WQBBIQAIHAWTJN-UHFFFAOYSA-N 1 0 385.306 2.117 20 0 GEADRO C[S@@](=O)(=NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000882425660 653781266 /nfs/dbraw/zinc/78/12/66/653781266.db2.gz ZBZDGUOBOWIFHF-FYSMJZIKSA-N 1 0 391.603 2.373 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000882425663 653781304 /nfs/dbraw/zinc/78/13/04/653781304.db2.gz ZBZDGUOBOWIFHF-VOIUYBSRSA-N 1 0 391.603 2.373 20 0 GEADRO C[C@]1(c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)CC[NH2+]C1 ZINC000843202766 653781394 /nfs/dbraw/zinc/78/13/94/653781394.db2.gz KCBTWIPNSQPMQA-INIZCTEOSA-N 1 0 380.242 2.445 20 0 GEADRO C[NH2+]C[C@H](C)c1nc(-c2cccn3c(I)cnc23)no1 ZINC000843223409 653781715 /nfs/dbraw/zinc/78/17/15/653781715.db2.gz CSJUKZCXNQQPTD-QMMMGPOBSA-N 1 0 383.193 2.312 20 0 GEADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000820739136 653781749 /nfs/dbraw/zinc/78/17/49/653781749.db2.gz GSQCVVOXGZUORN-UHFFFAOYSA-N 1 0 391.320 2.314 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CCN1C(=O)c2cc(Br)ccc2S1(=O)=O ZINC000789930888 653783183 /nfs/dbraw/zinc/78/31/83/653783183.db2.gz WGYCHCQYZQWROU-GFCCVEGCSA-N 1 0 387.299 2.468 20 0 GEADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843327134 653785394 /nfs/dbraw/zinc/78/53/94/653785394.db2.gz HVSMLGAUXMIGMK-MRXNPFEDSA-N 1 0 381.263 2.470 20 0 GEADRO COc1ccc(CN(C)CC(=O)N2CC[NH2+]CC2)cc1SC(F)(F)F ZINC000843345736 653785570 /nfs/dbraw/zinc/78/55/70/653785570.db2.gz BKXACYDFWBAACY-UHFFFAOYSA-N 1 0 377.432 2.171 20 0 GEADRO O=C(NCCc1ccc(Br)cc1F)C1(n2cccn2)CC[NH2+]CC1 ZINC000843434808 653786998 /nfs/dbraw/zinc/78/69/98/653786998.db2.gz PWNXWXOJEWBGPU-UHFFFAOYSA-N 1 0 395.276 2.222 20 0 GEADRO CCN(CCOc1ccc(Br)cc1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843444913 653787219 /nfs/dbraw/zinc/78/72/19/653787219.db2.gz JBPMZMRVYQYNNA-INIZCTEOSA-N 1 0 385.302 2.445 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000843473086 653787791 /nfs/dbraw/zinc/78/77/91/653787791.db2.gz ASRWZYHUYCHATB-NWDGAFQWSA-N 1 0 387.933 2.239 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cc1ccc(Cl)cc1Br ZINC000843478376 653787864 /nfs/dbraw/zinc/78/78/64/653787864.db2.gz NWUUCWKDICWCHO-ZDUSSCGKSA-N 1 0 389.677 2.009 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)C(F)F ZINC000843484118 653788029 /nfs/dbraw/zinc/78/80/29/653788029.db2.gz NHASOVJHSSDBNU-CQSZACIVSA-N 1 0 378.416 2.254 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000866194956 653788467 /nfs/dbraw/zinc/78/84/67/653788467.db2.gz ZWOPZDASYQZBED-WMLDXEAASA-N 1 0 396.329 2.427 20 0 GEADRO [NH3+]CCCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000843505212 653788637 /nfs/dbraw/zinc/78/86/37/653788637.db2.gz DOVIJTNTWSSVCL-UHFFFAOYSA-N 1 0 387.933 2.373 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000843503299 653788723 /nfs/dbraw/zinc/78/87/23/653788723.db2.gz KEKDAKRTDWCBLY-BDAKNGLRSA-N 1 0 394.324 2.290 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC[N@@H+]1C ZINC000866206756 653788833 /nfs/dbraw/zinc/78/88/33/653788833.db2.gz NAIIFKCEHQCEII-DZGCQCFKSA-N 1 0 388.917 2.432 20 0 GEADRO [NH3+]CCCCCCNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000843509949 653788818 /nfs/dbraw/zinc/78/88/18/653788818.db2.gz UTBURKFNYKQUII-UHFFFAOYSA-N 1 0 398.301 2.200 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NCCCCCC[NH3+])ccc1Br ZINC000843509398 653788834 /nfs/dbraw/zinc/78/88/34/653788834.db2.gz AGRRCAYYRQQNCA-UHFFFAOYSA-N 1 0 377.304 2.102 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Br)c1 ZINC000866255567 653789485 /nfs/dbraw/zinc/78/94/85/653789485.db2.gz XHMLGBIGCWYSRU-IXDOHACOSA-N 1 0 394.313 2.321 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Br)cnc1C1CC1 ZINC000821052457 653789591 /nfs/dbraw/zinc/78/95/91/653789591.db2.gz MLZLUCDFKFXILI-AWEZNQCLSA-N 1 0 382.302 2.298 20 0 GEADRO CC(=O)N[C@@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)c1cccc(Br)c1 ZINC000866271434 653789775 /nfs/dbraw/zinc/78/97/75/653789775.db2.gz KZOOMJXSWAGRHS-BLLLJJGKSA-N 1 0 382.302 2.084 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000866298105 653790463 /nfs/dbraw/zinc/79/04/63/653790463.db2.gz SVVBKUDBJUMKJL-MCIONIFRSA-N 1 0 380.794 2.405 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000866298106 653790506 /nfs/dbraw/zinc/79/05/06/653790506.db2.gz SVVBKUDBJUMKJL-MJBXVCDLSA-N 1 0 380.794 2.405 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000866371947 653791669 /nfs/dbraw/zinc/79/16/69/653791669.db2.gz CKHAUUDYGVQHCQ-UHFFFAOYSA-N 1 0 391.331 2.314 20 0 GEADRO CNC(=O)CCC[N@H+](C)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790443577 653791833 /nfs/dbraw/zinc/79/18/33/653791833.db2.gz XTYSYVNHKCXVJL-UHFFFAOYSA-N 1 0 397.273 2.001 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866410021 653793796 /nfs/dbraw/zinc/79/37/96/653793796.db2.gz CRVKKYCHVYGZGM-CJNGLKHVSA-N 1 0 386.539 2.396 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000821391873 653796948 /nfs/dbraw/zinc/79/69/48/653796948.db2.gz RRXZQLQCZFZNEU-CYBMUJFWSA-N 1 0 382.258 2.200 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000821391365 653797107 /nfs/dbraw/zinc/79/71/07/653797107.db2.gz JUXSPJKDOUVNDX-AAEUAGOBSA-N 1 0 382.258 2.200 20 0 GEADRO Brc1nnc2ccc(N3CC4(C3)C[NH+](Cc3ccccc3)C4)nn12 ZINC000882677887 653797517 /nfs/dbraw/zinc/79/75/17/653797517.db2.gz HPHLXJKMBBRZHP-UHFFFAOYSA-N 1 0 385.269 2.209 20 0 GEADRO Cn1nc(Br)cc1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000821466337 653799203 /nfs/dbraw/zinc/79/92/03/653799203.db2.gz IRSAGGURJZSCEW-UHFFFAOYSA-N 1 0 378.274 2.362 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866504392 653799513 /nfs/dbraw/zinc/79/95/13/653799513.db2.gz FSMWMEPHKMGMGM-RYUDHWBXSA-N 1 0 393.351 2.209 20 0 GEADRO 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C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000866920365 653849492 /nfs/dbraw/zinc/84/94/92/653849492.db2.gz CFSGNFQONOYOHV-ZDUSSCGKSA-N 1 0 399.207 2.390 20 0 GEADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000895774246 653850064 /nfs/dbraw/zinc/85/00/64/653850064.db2.gz XVJXASLQXXEURB-INIZCTEOSA-N 1 0 393.281 2.110 20 0 GEADRO C[C@]1(CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1(Cl)Cl ZINC000883675185 653850381 /nfs/dbraw/zinc/85/03/81/653850381.db2.gz CMWCCCNDCBQHSD-OAHLLOKOSA-N 1 0 391.343 2.086 20 0 GEADRO Cc1cc(Br)c(CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)s1 ZINC000895802119 653850680 /nfs/dbraw/zinc/85/06/80/653850680.db2.gz YAEXJJZBDKASQC-UHFFFAOYSA-N 1 0 389.363 2.208 20 0 GEADRO COC[C@@]1(c2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)CC[NH2+]C1 ZINC000823036651 653851086 /nfs/dbraw/zinc/85/10/86/653851086.db2.gz HXNGHEFLKXEPKS-MRXNPFEDSA-N 1 0 385.251 2.435 20 0 GEADRO O=C(CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)Nc1ccc(Br)cc1 ZINC000895812772 653851307 /nfs/dbraw/zinc/85/13/07/653851307.db2.gz YPVXYMXIGUWCPL-KRWDZBQOSA-N 1 0 380.286 2.380 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC[C@H]2CC2(Cl)Cl)CC1 ZINC000883733665 653851938 /nfs/dbraw/zinc/85/19/38/653851938.db2.gz BRKJQVIHJWUVRV-ZDUSSCGKSA-N 1 0 391.343 2.086 20 0 GEADRO Cc1cc(I)cnc1NC(=O)COC1CC[NH+](C)CC1 ZINC000895840105 653852119 /nfs/dbraw/zinc/85/21/19/653852119.db2.gz MKDQTIGECRHYDN-UHFFFAOYSA-N 1 0 389.237 2.044 20 0 GEADRO Nc1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc(Br)n1 ZINC000823064091 653852249 /nfs/dbraw/zinc/85/22/49/653852249.db2.gz VMXADONLVPWVID-AWEZNQCLSA-N 1 0 391.269 2.245 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866939852 653852668 /nfs/dbraw/zinc/85/26/68/653852668.db2.gz DVTFEHFFVWIIAQ-TUAOUCFPSA-N 1 0 382.452 2.084 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c[nH]nc1I ZINC000895856352 653852878 /nfs/dbraw/zinc/85/28/78/653852878.db2.gz XRXSGLKDAIANJE-GMTAPVOTSA-N 1 0 390.269 2.111 20 0 GEADRO C[C@H]([NH3+])[C@H](C)c1nc(-c2cccn3c(I)cnc23)no1 ZINC000823116688 653854397 /nfs/dbraw/zinc/85/43/97/653854397.db2.gz YOLQTMXICDNUTJ-YUMQZZPRSA-N 1 0 383.193 2.440 20 0 GEADRO CO[C@@H](C[NH3+])Cc1nc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000823129160 653854654 /nfs/dbraw/zinc/85/46/54/653854654.db2.gz OGDVOIUKXGAWQO-GXSJLCMTSA-N 1 0 387.267 2.313 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCS(C)(=O)=O ZINC000792938228 653856185 /nfs/dbraw/zinc/85/61/85/653856185.db2.gz SKGGQMDPDGTBOW-NSHDSACASA-N 1 0 381.279 2.247 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)nc1Br ZINC000792952559 653857096 /nfs/dbraw/zinc/85/70/96/653857096.db2.gz JLSFDFRAZKSRNC-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO CO[C@H](C[NH3+])Cc1nc(C2(c3ccc(Br)cc3)CCOCC2)no1 ZINC000823199728 653857479 /nfs/dbraw/zinc/85/74/79/653857479.db2.gz CZHSFCFGHBUYQB-AWEZNQCLSA-N 1 0 396.285 2.445 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000866969314 653857719 /nfs/dbraw/zinc/85/77/19/653857719.db2.gz SGZNZBBPYZKBJF-MRXNPFEDSA-N 1 0 391.603 2.470 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2I)[NH+](C)C)cc1 ZINC000895938158 653857772 /nfs/dbraw/zinc/85/77/72/653857772.db2.gz VPEULXPJRCJGJY-CYBMUJFWSA-N 1 0 398.248 2.355 20 0 GEADRO O=C(NCCc1sccc1Br)NC[C@H]1CCC[N@H+]1CCCO ZINC000883952566 653858420 /nfs/dbraw/zinc/85/84/20/653858420.db2.gz NOPBNJFXSBCAIJ-GFCCVEGCSA-N 1 0 390.347 2.199 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)nc1Br ZINC000792982114 653859018 /nfs/dbraw/zinc/85/90/18/653859018.db2.gz CILIQVFHGSHEHB-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884023926 653860727 /nfs/dbraw/zinc/86/07/27/653860727.db2.gz BZZRLQRCQSUQRG-VIFPVBQESA-N 1 0 384.665 2.165 20 0 GEADRO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1ncc(Br)cc1O ZINC000896018660 653861083 /nfs/dbraw/zinc/86/10/83/653861083.db2.gz PLOTUWDDDHGAQB-QGZVFWFLSA-N 1 0 379.254 2.482 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[C@@H]1[NH3+] ZINC000884034168 653861050 /nfs/dbraw/zinc/86/10/50/653861050.db2.gz ZFWMFNNVALPZSN-ONGXEEELSA-N 1 0 398.692 2.493 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(OC(F)F)c(Br)c2)CCO1 ZINC000884043607 653861426 /nfs/dbraw/zinc/86/14/26/653861426.db2.gz ZZYBSVUGZMUZHX-QPUJVOFHSA-N 1 0 379.201 2.239 20 0 GEADRO CCOC(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884056397 653861629 /nfs/dbraw/zinc/86/16/29/653861629.db2.gz WORSSJGLGIRZIZ-AWEZNQCLSA-N 1 0 384.274 2.186 20 0 GEADRO [NH3+][C@H](C(=O)NCCCN1CCCCCC1=O)c1ccc(Br)cc1 ZINC000884056600 653861775 /nfs/dbraw/zinc/86/17/75/653861775.db2.gz DKUDXFWFXLNJGI-INIZCTEOSA-N 1 0 382.302 2.358 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866995199 653862189 /nfs/dbraw/zinc/86/21/89/653862189.db2.gz AFPVNLQXALPPMG-AGIUHOORSA-N 1 0 394.324 2.261 20 0 GEADRO CC(C)(C[NH2+]Cc1nnc2c(=O)[nH]ccn12)c1ccc(Br)cc1 ZINC000896051422 653862416 /nfs/dbraw/zinc/86/24/16/653862416.db2.gz CQAUUFHMOATUKV-UHFFFAOYSA-N 1 0 376.258 2.248 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)N[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)C[C@H]2C1 ZINC000896077266 653863405 /nfs/dbraw/zinc/86/34/05/653863405.db2.gz HIWYHTSVNPWQLG-LFFLFIJJSA-N 1 0 376.298 2.290 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)nc1Br ZINC000793038202 653863800 /nfs/dbraw/zinc/86/38/00/653863800.db2.gz CMJDTZUOXWWWEF-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000867005392 653864260 /nfs/dbraw/zinc/86/42/60/653864260.db2.gz ZBABEVHXRKLJGQ-ICKUNSISSA-N 1 0 387.571 2.239 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC(N2CCCC2=O)CC1)c1ccc(Br)cc1 ZINC000884126139 653864940 /nfs/dbraw/zinc/86/49/40/653864940.db2.gz RYHRQVWTSLPZFV-MRXNPFEDSA-N 1 0 380.286 2.062 20 0 GEADRO O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000845843864 653865411 /nfs/dbraw/zinc/86/54/11/653865411.db2.gz ZYLZDHZQRBRYMZ-WDEREUQCSA-N 1 0 385.338 2.338 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000884146331 653865693 /nfs/dbraw/zinc/86/56/93/653865693.db2.gz GTESMXHKQGYLLQ-VIFPVBQESA-N 1 0 386.873 2.398 20 0 GEADRO CCCN(C(=O)Cc1csc(S[C@@H](CC)C(N)=O)n1)C1CC[NH2+]CC1 ZINC000884175253 653866615 /nfs/dbraw/zinc/86/66/15/653866615.db2.gz NGUIQAUTOKJJKT-AWEZNQCLSA-N 1 0 384.571 2.032 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)C[C@@H]1[NH+](C)C ZINC000867025978 653867926 /nfs/dbraw/zinc/86/79/26/653867926.db2.gz RVPQVFCXWYCLPW-WCQYABFASA-N 1 0 375.903 2.147 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884202936 653867994 /nfs/dbraw/zinc/86/79/94/653867994.db2.gz LQNDRGGOUGAUIV-NEPJUHHUSA-N 1 0 380.208 2.202 20 0 GEADRO N[C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Br)cc1 ZINC000884212963 653868284 /nfs/dbraw/zinc/86/82/84/653868284.db2.gz QNHONANFGGXJPD-MRXNPFEDSA-N 1 0 396.329 2.210 20 0 GEADRO CS[C@H]1CN(C(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000845893131 653868552 /nfs/dbraw/zinc/86/85/52/653868552.db2.gz OZVWSSFSDNNEOG-RYUDHWBXSA-N 1 0 381.489 2.041 20 0 GEADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H]1CC1(F)F ZINC000896202001 653868692 /nfs/dbraw/zinc/86/86/92/653868692.db2.gz CLZRBQIUAJIYFI-XQQFMLRXSA-N 1 0 382.473 2.044 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2sc(CC(F)(F)F)nc2C)C1 ZINC000896211048 653869004 /nfs/dbraw/zinc/86/90/04/653869004.db2.gz QZUAIRUGXOCZRL-LBPRGKRZSA-N 1 0 379.448 2.326 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884244441 653869346 /nfs/dbraw/zinc/86/93/46/653869346.db2.gz FFBPGFYRGKNDLX-VHSXEESVSA-N 1 0 398.692 2.493 20 0 GEADRO C[C@H](C[NH3+])NC(=O)c1csc(I)c1Br ZINC000884252015 653869353 /nfs/dbraw/zinc/86/93/53/653869353.db2.gz ZGEZXTCIFMIURA-SCSAIBSYSA-N 1 0 389.056 2.192 20 0 GEADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000884280513 653870251 /nfs/dbraw/zinc/87/02/51/653870251.db2.gz MPZBJRDHNDNMKX-MAUKXSAKSA-N 1 0 393.281 2.133 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cccc(C)n1 ZINC000793202646 653870634 /nfs/dbraw/zinc/87/06/34/653870634.db2.gz NEEZNPNUGRBXQV-HNNXBMFYSA-N 1 0 382.917 2.240 20 0 GEADRO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCC2(CC[NH2+]C2)CC1 ZINC000884294292 653870949 /nfs/dbraw/zinc/87/09/49/653870949.db2.gz XPIZOHWPXYJMMH-OAHLLOKOSA-N 1 0 393.281 2.133 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000896260886 653871414 /nfs/dbraw/zinc/87/14/14/653871414.db2.gz WOVPSLDZICKECS-LLVKDONJSA-N 1 0 388.253 2.023 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000845955095 653872200 /nfs/dbraw/zinc/87/22/00/653872200.db2.gz FXDQEVGIGIODET-LBPRGKRZSA-N 1 0 391.324 2.351 20 0 GEADRO [NH3+][C@H](C(=O)NCCCc1nnc2n1CCCC2)c1ccc(Br)cc1 ZINC000884328765 653872406 /nfs/dbraw/zinc/87/24/06/653872406.db2.gz XCKCLRSKGNXZTL-INIZCTEOSA-N 1 0 392.301 2.126 20 0 GEADRO Cn1cc(CNCc2ncc(Br)cc2[O-])c(Br)n1 ZINC000896282187 653872436 /nfs/dbraw/zinc/87/24/36/653872436.db2.gz POCKPPBLBKIAEN-UHFFFAOYSA-N 1 0 376.052 2.336 20 0 GEADRO Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br ZINC000896287837 653872711 /nfs/dbraw/zinc/87/27/11/653872711.db2.gz WUOSKBTZYAKSGT-IAGOWNOFSA-N 1 0 396.329 2.498 20 0 GEADRO [NH3+][C@H](C(=O)N1CCCN(CC(F)F)CC1)c1ccc(Br)cc1 ZINC000884330551 653872752 /nfs/dbraw/zinc/87/27/52/653872752.db2.gz QLRCXPYNAWETBA-AWEZNQCLSA-N 1 0 376.245 2.248 20 0 GEADRO Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br ZINC000896287838 653872785 /nfs/dbraw/zinc/87/27/85/653872785.db2.gz WUOSKBTZYAKSGT-IRXDYDNUSA-N 1 0 396.329 2.498 20 0 GEADRO COc1cccc([C@@H](CNC(=O)c2cc(Br)n(C)n2)[NH+](C)C)c1 ZINC000823596350 653873664 /nfs/dbraw/zinc/87/36/64/653873664.db2.gz LROMDWJZIRBQRX-CQSZACIVSA-N 1 0 381.274 2.224 20 0 GEADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000884356604 653874137 /nfs/dbraw/zinc/87/41/37/653874137.db2.gz JBHVZSXKZLGAQV-OLZOCXBDSA-N 1 0 378.523 2.170 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](O)c1ccco1 ZINC000823630222 653874702 /nfs/dbraw/zinc/87/47/02/653874702.db2.gz FXRKBWQTJOIGOH-RISCZKNCSA-N 1 0 397.269 2.379 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884379896 653874812 /nfs/dbraw/zinc/87/48/12/653874812.db2.gz NBFMLISVLRGNBV-UHFFFAOYSA-N 1 0 379.258 2.119 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cn(C)nc2Br)cc1 ZINC000884404929 653875820 /nfs/dbraw/zinc/87/58/20/653875820.db2.gz BOEFJCWFVCUGEI-ZFWWWQNUSA-N 1 0 393.285 2.067 20 0 GEADRO CC(C)(CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000884439674 653876728 /nfs/dbraw/zinc/87/67/28/653876728.db2.gz MSPDXOXDAHJKIP-AWEZNQCLSA-N 1 0 382.302 2.214 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000884435611 653876801 /nfs/dbraw/zinc/87/68/01/653876801.db2.gz CTDCRYKJMWAQGK-RDJZCZTQSA-N 1 0 386.945 2.416 20 0 GEADRO COCC[C@@H]([NH3+])C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000884451580 653877047 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CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NCc2sccc2Br)C1 ZINC000884544806 653880375 /nfs/dbraw/zinc/88/03/75/653880375.db2.gz PSFCKKRMECMHAN-JTQLQIEISA-N 1 0 388.331 2.021 20 0 GEADRO Cc1nc(CNC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)sc1C ZINC000884568295 653881196 /nfs/dbraw/zinc/88/11/96/653881196.db2.gz HCXCJHDORNYHNF-UHFFFAOYSA-N 1 0 380.901 2.017 20 0 GEADRO C[C@H](NS(=O)(=O)c1nc[nH]c1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000867119589 653882105 /nfs/dbraw/zinc/88/21/05/653882105.db2.gz GGMDCDUFYWRZMD-JQWIXIFHSA-N 1 0 387.303 2.142 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCc1ccsc1Br)[NH+]1CCCCC1 ZINC000793696016 653882707 /nfs/dbraw/zinc/88/27/07/653882707.db2.gz DYWFPKFVJBIIRU-NSHDSACASA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCc1sccc1Br)[NH+]1CCCCC1 ZINC000793699152 653882733 /nfs/dbraw/zinc/88/27/33/653882733.db2.gz MSMPMBQIGFMOIC-LLVKDONJSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@@H](NC(=O)c1cc2c(cncc2Br)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896534302 653883107 /nfs/dbraw/zinc/88/31/07/653883107.db2.gz LRKLEIQAIQPIHR-MFKMUULPSA-N 1 0 397.342 2.423 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000884676370 653883917 /nfs/dbraw/zinc/88/39/17/653883917.db2.gz LAKGNWXIBKNNDL-UHFFFAOYSA-N 1 0 392.297 2.334 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896544870 653884101 /nfs/dbraw/zinc/88/41/01/653884101.db2.gz NBZVZGLZFOTPDD-MWLCHTKSSA-N 1 0 378.514 2.059 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846037601 653884212 /nfs/dbraw/zinc/88/42/12/653884212.db2.gz ZNABDCFSWKWVFR-HOTGVXAUSA-N 1 0 392.928 2.474 20 0 GEADRO C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896557535 653885407 /nfs/dbraw/zinc/88/54/07/653885407.db2.gz VDAZOERFICYGOY-XHDPSFHLSA-N 1 0 388.737 2.396 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc2ccc(Br)cc2c1)C1CC1 ZINC000884706767 653885572 /nfs/dbraw/zinc/88/55/72/653885572.db2.gz NECDPBWYBXNBKR-MRXNPFEDSA-N 1 0 390.281 2.072 20 0 GEADRO C[C@H](NC(=O)c1cc2c(cccc2Br)[nH]1)[C@H]1C[N@H+](C)CCN1C ZINC000896567237 653885859 /nfs/dbraw/zinc/88/58/59/653885859.db2.gz ZMRVROXOUGUABS-MEDUHNTESA-N 1 0 379.302 2.295 20 0 GEADRO C[C@H](NC(=O)Cc1ccc(Cl)cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896565636 653885954 /nfs/dbraw/zinc/88/59/54/653885954.db2.gz XBSCZPAYTUNZGL-NHYWBVRUSA-N 1 0 388.737 2.396 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884720954 653886007 /nfs/dbraw/zinc/88/60/07/653886007.db2.gz XBAKGUINNILDOI-ZANVPECISA-N 1 0 377.794 2.089 20 0 GEADRO C[C@H](NC(=O)CCc1ccc(Br)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896563565 653886098 /nfs/dbraw/zinc/88/60/98/653886098.db2.gz LJPLWEQUSJWUMO-LRDDRELGSA-N 1 0 386.309 2.271 20 0 GEADRO C[C@H](NC(=O)C1(c2ccc(Br)cc2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896575430 653886289 /nfs/dbraw/zinc/88/62/89/653886289.db2.gz PTXOTQGGIITKKD-BBRMVZONSA-N 1 0 380.330 2.231 20 0 GEADRO C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896575431 653886488 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GEADRO CC[C@](O)(CCC(F)(F)F)CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000896608422 653887976 /nfs/dbraw/zinc/88/79/76/653887976.db2.gz FFVJBOULQGVWOO-IPYPFGDCSA-N 1 0 383.480 2.349 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2cc(Br)cn3ncnc23)C[C@H]1C(C)(C)C ZINC000824221741 653888349 /nfs/dbraw/zinc/88/83/49/653888349.db2.gz MDHLPGDGFVFNDP-ZDUSSCGKSA-N 1 0 380.290 2.294 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)Cc2sc(CC(F)(F)F)nc2C)CC1 ZINC000896626460 653888347 /nfs/dbraw/zinc/88/83/47/653888347.db2.gz WJLOTLJBJYLUIH-UHFFFAOYSA-N 1 0 379.448 2.280 20 0 GEADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000846175535 653888917 /nfs/dbraw/zinc/88/89/17/653888917.db2.gz PPYWINWZTDIGSH-WLYUNCDWSA-N 1 0 377.360 2.476 20 0 GEADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cc(Cl)cnc2Cl)CCCO1 ZINC000867191815 653890962 /nfs/dbraw/zinc/89/09/62/653890962.db2.gz RSKHXVRTCDHIGQ-NSHDSACASA-N 1 0 382.313 2.168 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884841180 653890973 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CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884977436 653902720 /nfs/dbraw/zinc/90/27/20/653902720.db2.gz SAUFJLVUYGBOEE-UHFFFAOYSA-N 1 0 379.810 2.418 20 0 GEADRO C[C@@H](NS(=O)(=O)c1ccns1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000884994053 653904167 /nfs/dbraw/zinc/90/41/67/653904167.db2.gz DIWVJFQWDWXZPL-GFCCVEGCSA-N 1 0 384.502 2.074 20 0 GEADRO C[C@H](NS(=O)(=O)c1ccns1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000884994054 653904207 /nfs/dbraw/zinc/90/42/07/653904207.db2.gz DIWVJFQWDWXZPL-LBPRGKRZSA-N 1 0 384.502 2.074 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@H]2CCCC(C)(C)O2)CC1 ZINC000885004016 653905362 /nfs/dbraw/zinc/90/53/62/653905362.db2.gz NSMTVXWXVHXSBR-MRXNPFEDSA-N 1 0 376.563 2.143 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cc(I)c(F)cc2F)CC1 ZINC000846647259 653905586 /nfs/dbraw/zinc/90/55/86/653905586.db2.gz KVLXXJVTCLIVSR-UHFFFAOYSA-N 1 0 396.175 2.325 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2ccc(F)c(I)c2)CC1 ZINC000846646421 653905636 /nfs/dbraw/zinc/90/56/36/653905636.db2.gz 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CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCc2ncc(Cl)s2)cc1 ZINC000885109286 653912755 /nfs/dbraw/zinc/91/27/55/653912755.db2.gz MOOZWPHWLMYNGR-CYBMUJFWSA-N 1 0 380.901 2.352 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(Cl)cc1Cl ZINC000867308266 653913029 /nfs/dbraw/zinc/91/30/29/653913029.db2.gz HNSPYVJKSZSRLB-TVQRCGJNSA-N 1 0 395.308 2.493 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000867309172 653913380 /nfs/dbraw/zinc/91/33/80/653913380.db2.gz QXLQFIGIHIPTAO-LDYMZIIASA-N 1 0 382.711 2.211 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1Br ZINC000867310286 653913717 /nfs/dbraw/zinc/91/37/17/653913717.db2.gz YCKFQKCRZQFHIJ-MEBBXXQBSA-N 1 0 389.315 2.365 20 0 GEADRO Cc1cc(N2CCn3c(c(Br)nc3C(F)(F)F)C2)nc(N)[nH+]1 ZINC000897275992 653913730 /nfs/dbraw/zinc/91/37/30/653913730.db2.gz WEUAYZITSOXJKD-UHFFFAOYSA-N 1 0 377.168 2.365 20 0 GEADRO C[C@]1(Br)C[C@@H]1C[N@@H+]1CCn2ncc(I)c2C1 ZINC000897289260 653914357 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CC(C)[C@@H]1CN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC[NH2+]1 ZINC000826764216 653959778 /nfs/dbraw/zinc/95/97/78/653959778.db2.gz UQCFXZWUMGNREW-HIFRSBDPSA-N 1 0 380.286 2.331 20 0 GEADRO COC1CC[NH+](C2(CNC(=O)c3cc(Br)n[nH]3)CCCC2)CC1 ZINC000826802742 653960729 /nfs/dbraw/zinc/96/07/29/653960729.db2.gz IYNDHAVEUQRGFT-UHFFFAOYSA-N 1 0 385.306 2.326 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885879454 653961289 /nfs/dbraw/zinc/96/12/89/653961289.db2.gz HKBFCVFLUMQCBJ-OAHLLOKOSA-N 1 0 383.286 2.067 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cc2[nH]cnc21 ZINC000885886337 653961986 /nfs/dbraw/zinc/96/19/86/653961986.db2.gz VSRISRWLVYBUOQ-CYBMUJFWSA-N 1 0 393.285 2.309 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cn2ccc(Br)cc2n1 ZINC000885886034 653962056 /nfs/dbraw/zinc/96/20/56/653962056.db2.gz QHGIYNLXYFJHNM-CQSZACIVSA-N 1 0 393.285 2.080 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1C(F)F ZINC000867620957 653963450 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C[C@H]1C[NH+](CCCCNC(=O)c2c(Br)nc3n2CCC3)C[C@H](C)O1 ZINC000826933050 653966874 /nfs/dbraw/zinc/96/68/74/653966874.db2.gz PIRUNFWAUMGYBW-STQMWFEESA-N 1 0 399.333 2.211 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ncc(Br)cn2)C1 ZINC000898391548 653967445 /nfs/dbraw/zinc/96/74/45/653967445.db2.gz AZNKOMOLUCWCOX-ZDUSSCGKSA-N 1 0 382.306 2.112 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000826950543 653967594 /nfs/dbraw/zinc/96/75/94/653967594.db2.gz RCYHCKKKSOHFQE-YPMHNXCESA-N 1 0 378.270 2.182 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C1 ZINC000795809874 653968058 /nfs/dbraw/zinc/96/80/58/653968058.db2.gz JTDHNVPKWIIUEY-LLVKDONJSA-N 1 0 392.880 2.276 20 0 GEADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000867652925 653968943 /nfs/dbraw/zinc/96/89/43/653968943.db2.gz OBYWOEISENLOJZ-UHFFFAOYSA-N 1 0 387.933 2.228 20 0 GEADRO CC(C)[C@H]([NH2+]CCSC(F)(F)F)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000886181661 653968883 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388.452 2.389 20 0 GEADRO C[NH+](C)[C@@]1(CN2C(=O)N[C@@H](c3ccccc3Br)C2=O)CCSC1 ZINC000849352182 654015371 /nfs/dbraw/zinc/01/53/71/654015371.db2.gz RJEXRXFTWLRRKN-XJKSGUPXSA-N 1 0 398.326 2.479 20 0 GEADRO COCCC1(NC(=O)c2ccc(I)cc2)CC[NH2+]CC1 ZINC000868039288 654015447 /nfs/dbraw/zinc/01/54/47/654015447.db2.gz SMDTVUHGDMGUQW-UHFFFAOYSA-N 1 0 388.249 2.180 20 0 GEADRO COCCC[N@H+](C)CCN1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000849355219 654015522 /nfs/dbraw/zinc/01/55/22/654015522.db2.gz CWUFVPMSKJFNBU-AWEZNQCLSA-N 1 0 384.274 2.010 20 0 GEADRO O=C(NC12CC[NH+](CC1)C2)c1cc(Br)cnc1Br ZINC000828002979 654015566 /nfs/dbraw/zinc/01/55/66/654015566.db2.gz DZXRIQDJLCICKQ-UHFFFAOYSA-N 1 0 375.064 2.185 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000887033970 654015925 /nfs/dbraw/zinc/01/59/25/654015925.db2.gz BLGONOZGHYAFHY-JTQLQIEISA-N 1 0 390.228 2.057 20 0 GEADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000887034852 654015933 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[NH3+]C[C@@H](O)CCc1cn(Cc2cc(Br)c3ccccc3c2)nn1 ZINC000887462898 654035450 /nfs/dbraw/zinc/03/54/50/654035450.db2.gz HILJPJBGFLEYDC-HNNXBMFYSA-N 1 0 375.270 2.494 20 0 GEADRO CSc1ccc(Br)cc1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000887502985 654036809 /nfs/dbraw/zinc/03/68/09/654036809.db2.gz HSTQRZBLUBYNRP-XJKSGUPXSA-N 1 0 387.343 2.285 20 0 GEADRO c1cnn(Cc2nc(-c3cn(CCC[NH+]4CCSCC4)nn3)cs2)c1 ZINC000887513708 654037814 /nfs/dbraw/zinc/03/78/14/654037814.db2.gz ZALYHFTYGOBYOJ-UHFFFAOYSA-N 1 0 375.527 2.085 20 0 GEADRO CSCc1nc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n[nH]1 ZINC000887618560 654041775 /nfs/dbraw/zinc/04/17/75/654041775.db2.gz LVWOTZCXIZQECW-GFCCVEGCSA-N 1 0 380.543 2.366 20 0 GEADRO CSCc1nc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n[nH]1 ZINC000887618561 654041974 /nfs/dbraw/zinc/04/19/74/654041974.db2.gz LVWOTZCXIZQECW-LBPRGKRZSA-N 1 0 380.543 2.366 20 0 GEADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CN1CSCCSC1 ZINC000899962394 654042876 /nfs/dbraw/zinc/04/28/76/654042876.db2.gz 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COCCN1[C@H](C)CN(C(=O)c2cnn(C(C)C)c2Br)C[C@@H]1C ZINC000869076395 654068759 /nfs/dbraw/zinc/06/87/59/654068759.db2.gz DFEDICBTXPDHQE-BETUJISGSA-N 1 0 387.322 2.408 20 0 GEADRO O=C(NCc1ccc(Br)cn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000869115603 654069563 /nfs/dbraw/zinc/06/95/63/654069563.db2.gz AAFVPLCPDZAAPT-UHFFFAOYSA-N 1 0 397.317 2.098 20 0 GEADRO CN(C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C1CC[NH+](C)CC1 ZINC000888178990 654070041 /nfs/dbraw/zinc/07/00/41/654070041.db2.gz CQIDGCXQZVLWBJ-OAHLLOKOSA-N 1 0 381.270 2.083 20 0 GEADRO C[NH2+][C@H](C)c1cn(Cc2cc(OC)c(C(=O)OC)cc2Br)nn1 ZINC000900595871 654071601 /nfs/dbraw/zinc/07/16/01/654071601.db2.gz SSWVPVAUPQBCEB-SECBINFHSA-N 1 0 383.246 2.165 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@H]2CCC3(COC3)O2)nn1)c1ccc(Br)cc1 ZINC000900605177 654072361 /nfs/dbraw/zinc/07/23/61/654072361.db2.gz QFXVQSBYRPCKLK-UKRRQHHQSA-N 1 0 379.258 2.037 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC000900603154 654072469 /nfs/dbraw/zinc/07/24/69/654072469.db2.gz VFRSAGWIXBAJNU-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO COc1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc(Cl)c1OC ZINC000850363875 654072906 /nfs/dbraw/zinc/07/29/06/654072906.db2.gz LQHVQMBJKMQDRM-UHFFFAOYSA-N 1 0 375.796 2.424 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cncc(Br)c1 ZINC000850472835 654078679 /nfs/dbraw/zinc/07/86/79/654078679.db2.gz PHRHHNIKDSQZRB-NSHDSACASA-N 1 0 377.304 2.089 20 0 GEADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000850491237 654079406 /nfs/dbraw/zinc/07/94/06/654079406.db2.gz NEZZPUKBEDFSSR-AUADJRAKSA-N 1 0 375.409 2.191 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C1 ZINC000850505171 654079828 /nfs/dbraw/zinc/07/98/28/654079828.db2.gz OATDHAOPCRLVJJ-VIFPVBQESA-N 1 0 378.420 2.337 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850505230 654079841 /nfs/dbraw/zinc/07/98/41/654079841.db2.gz POBWEDJVLADNQB-GFCCVEGCSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000798937814 654081496 /nfs/dbraw/zinc/08/14/96/654081496.db2.gz PGPXLKJKCVSXHQ-YCPHGPKFSA-N 1 0 388.555 2.499 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)CCC[NH+]1CCCC1 ZINC000798958088 654081887 /nfs/dbraw/zinc/08/18/87/654081887.db2.gz LYFQFQXXBXRNDT-OAHLLOKOSA-N 1 0 388.965 2.122 20 0 GEADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000850588259 654083925 /nfs/dbraw/zinc/08/39/25/654083925.db2.gz YIVKATCYUMKVKI-OAHLLOKOSA-N 1 0 378.416 2.491 20 0 GEADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900842336 654083993 /nfs/dbraw/zinc/08/39/93/654083993.db2.gz JOFHIDMHLBTPDW-AAEUAGOBSA-N 1 0 378.274 2.354 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cc2ccccc2nc1Br)[NH+](C)C ZINC000850596810 654085098 /nfs/dbraw/zinc/08/50/98/654085098.db2.gz WSKBFSWPXLMAGP-LLVKDONJSA-N 1 0 393.285 2.392 20 0 GEADRO C[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000900879450 654085596 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O=C(N[C@H]1CCc2ncc(Br)n2C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000900925485 654093417 /nfs/dbraw/zinc/09/34/17/654093417.db2.gz YMPMISGVTLHVQF-JSGCOSHPSA-N 1 0 381.318 2.484 20 0 GEADRO CC(=O)N[C@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000869416778 654095329 /nfs/dbraw/zinc/09/53/29/654095329.db2.gz SXRUEZZKNUCXIV-PBHICJAKSA-N 1 0 396.329 2.474 20 0 GEADRO O=C(Nc1ccc(F)cc1I)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900972149 654100146 /nfs/dbraw/zinc/10/01/46/654100146.db2.gz MHPHPBUEKHHFIC-LLVKDONJSA-N 1 0 390.196 2.090 20 0 GEADRO C[C@@H]1C[NH+](CCCCNC(=O)[C@H](O)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000900980775 654100495 /nfs/dbraw/zinc/10/04/95/654100495.db2.gz PMVYBABMCQAPTR-CKEIUWERSA-N 1 0 399.329 2.488 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cscc1C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000900983210 654100977 /nfs/dbraw/zinc/10/09/77/654100977.db2.gz YKOUXUNZJXSXTM-LLVKDONJSA-N 1 0 380.482 2.267 20 0 GEADRO C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)c(Br)c2)CC[N@@H+]1C ZINC000830138944 654101069 /nfs/dbraw/zinc/10/10/69/654101069.db2.gz KUHJUFDICPBOCL-UKRRQHHQSA-N 1 0 395.345 2.480 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000916661738 654103828 /nfs/dbraw/zinc/10/38/28/654103828.db2.gz BSHKTJNMNRUWDO-GXTWGEPZSA-N 1 0 386.901 2.007 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccc(F)cc3Br)C[C@@H]2C1 ZINC000916666087 654104202 /nfs/dbraw/zinc/10/42/02/654104202.db2.gz COVVJLCGBHBBKX-YPMHNXCESA-N 1 0 391.306 2.302 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Nc2cccc(-c3nnsc3Cl)c2)CC1 ZINC000888865823 654109466 /nfs/dbraw/zinc/10/94/66/654109466.db2.gz GOBIWFBOFKLEIK-UHFFFAOYSA-N 1 0 381.889 2.437 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000901133433 654110939 /nfs/dbraw/zinc/11/09/39/654110939.db2.gz MPFGHEHAVUWBNC-UHFFFAOYSA-N 1 0 384.318 2.187 20 0 GEADRO O[C@H](C[NH2+]C1CCC2(CC1)OCCO2)COc1ccc(Br)cc1 ZINC000917007954 654111704 /nfs/dbraw/zinc/11/17/04/654111704.db2.gz IMWQHLOQRSONDP-OAHLLOKOSA-N 1 0 386.286 2.464 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cnc(Cl)c(Br)c1)[N@H+](C)C1CC1 ZINC000830372493 654112986 /nfs/dbraw/zinc/11/29/86/654112986.db2.gz XHSHUONSKLVGQQ-QMMMGPOBSA-N 1 0 382.711 2.259 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CN2C(=O)c3ccc(Br)cc3S2(=O)=O)CC1 ZINC000830396643 654114995 /nfs/dbraw/zinc/11/49/95/654114995.db2.gz OFMJMVSGIZGANY-XYPYZODXSA-N 1 0 387.299 2.359 20 0 GEADRO C[C@H](CCNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000917236829 654117466 /nfs/dbraw/zinc/11/74/66/654117466.db2.gz FBDMRHWJLVVDIF-BGJPBQGDSA-N 1 0 387.449 2.208 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888983489 654117777 /nfs/dbraw/zinc/11/77/77/654117777.db2.gz DXAMEYZLNAVVJF-UHFFFAOYSA-N 1 0 384.318 2.086 20 0 GEADRO CN1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC[N@H+](C)CC1 ZINC000888987877 654118643 /nfs/dbraw/zinc/11/86/43/654118643.db2.gz DLASFXYAXHWSIM-UHFFFAOYSA-N 1 0 379.302 2.250 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000901297942 654119242 /nfs/dbraw/zinc/11/92/42/654119242.db2.gz HIXAFTFLMCMGED-QGZVFWFLSA-N 1 0 398.345 2.015 20 0 GEADRO C[N@H+](C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000830462584 654119763 /nfs/dbraw/zinc/11/97/63/654119763.db2.gz YWWNAXMBFCXNCW-SWLSCSKDSA-N 1 0 376.856 2.330 20 0 GEADRO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000901316040 654119885 /nfs/dbraw/zinc/11/98/85/654119885.db2.gz QGXFAQFVHALAKX-HRCADAONSA-N 1 0 394.313 2.451 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000799940453 654121875 /nfs/dbraw/zinc/12/18/75/654121875.db2.gz WYNJAQCZKNRNPZ-WBMJQRKESA-N 1 0 382.302 2.266 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000869780239 654122986 /nfs/dbraw/zinc/12/29/86/654122986.db2.gz QORYNXXANWYVFI-JTQLQIEISA-N 1 0 377.229 2.302 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2N1 ZINC000917653232 654129835 /nfs/dbraw/zinc/12/98/35/654129835.db2.gz IFOOPKHRMUXTHO-QWHCGFSZSA-N 1 0 383.901 2.130 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)c2ccc(I)cc2O)CC1 ZINC000889219995 654133080 /nfs/dbraw/zinc/13/30/80/654133080.db2.gz IBYBIQJYMALAIK-UHFFFAOYSA-N 1 0 386.233 2.307 20 0 GEADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000901606461 654134172 /nfs/dbraw/zinc/13/41/72/654134172.db2.gz FRMMWALMQUBBHI-CQSZACIVSA-N 1 0 397.704 2.474 20 0 GEADRO O=C(NC1CC[NH+](CCO)CC1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000917837961 654135383 /nfs/dbraw/zinc/13/53/83/654135383.db2.gz SBYAJDJXNWOEBW-MRXNPFEDSA-N 1 0 397.317 2.147 20 0 GEADRO O=C(NC1CC[NH+](CCO)CC1)N1CC(Cc2ccc(Br)cc2)C1 ZINC000917842126 654135552 /nfs/dbraw/zinc/13/55/52/654135552.db2.gz DPDMYEQJYVZXRZ-UHFFFAOYSA-N 1 0 396.329 2.090 20 0 GEADRO COc1ccc(C(=O)OCCC[NH+]2CCCC2)nc1I ZINC000800193790 654136321 /nfs/dbraw/zinc/13/63/21/654136321.db2.gz QQIOHGFVTRQSFP-UHFFFAOYSA-N 1 0 390.221 2.338 20 0 GEADRO Cc1cc2c(cc1Br)CN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC000917973329 654139690 /nfs/dbraw/zinc/13/96/90/654139690.db2.gz WVMIKEKAVBHEKI-MRXNPFEDSA-N 1 0 395.345 2.071 20 0 GEADRO Cc1c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000800308982 654140196 /nfs/dbraw/zinc/14/01/96/654140196.db2.gz AJCJLXNLPOTDAO-KBPBESRZSA-N 1 0 382.555 2.424 20 0 GEADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000830760091 654140860 /nfs/dbraw/zinc/14/08/60/654140860.db2.gz NNHZMRZPPXVAFK-SECBINFHSA-N 1 0 382.711 2.118 20 0 GEADRO O=C1[C@@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)CCN1c1ccc(F)cc1 ZINC000901727153 654143526 /nfs/dbraw/zinc/14/35/26/654143526.db2.gz CVRNYIZUPXYIPI-JSGCOSHPSA-N 1 0 393.260 2.495 20 0 GEADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1nnnn1-c1ccccc1 ZINC000901727043 654143562 /nfs/dbraw/zinc/14/35/62/654143562.db2.gz CJTGDQYISPHLGK-RYUDHWBXSA-N 1 0 388.273 2.287 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1nnnn1-c1ccccc1 ZINC000901727044 654143606 /nfs/dbraw/zinc/14/36/06/654143606.db2.gz CJTGDQYISPHLGK-VXGBXAGGSA-N 1 0 388.273 2.287 20 0 GEADRO COCCS(=O)(=O)CCC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000800396554 654143693 /nfs/dbraw/zinc/14/36/93/654143693.db2.gz YCQLHGSZPWKLCA-AWEZNQCLSA-N 1 0 392.315 2.314 20 0 GEADRO O=C1[C@@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)CCN1C1CCCCC1 ZINC000901728126 654144006 /nfs/dbraw/zinc/14/40/06/654144006.db2.gz LAEJCGPZUZQTSN-OCCSQVGLSA-N 1 0 381.318 2.484 20 0 GEADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NCCc1cccs1 ZINC000901728166 654144073 /nfs/dbraw/zinc/14/40/73/654144073.db2.gz LPYWHEHDGSHVHC-RYUDHWBXSA-N 1 0 397.342 2.359 20 0 GEADRO O[C@@H](C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)c1ccc(F)c(Br)c1 ZINC000830819010 654145023 /nfs/dbraw/zinc/14/50/23/654145023.db2.gz ZJJSMDFCJYOSON-IXKJSCDLSA-N 1 0 388.277 2.483 20 0 GEADRO Cn1cc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c(Br)n1 ZINC000889512484 654145851 /nfs/dbraw/zinc/14/58/51/654145851.db2.gz NCDHPCUCJZLHKQ-LLVKDONJSA-N 1 0 379.258 2.152 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)NC[C@H](O)c2cccc(Br)c2)cn1 ZINC000800545852 654148493 /nfs/dbraw/zinc/14/84/93/654148493.db2.gz YDEJZGICFUKSRY-HNNXBMFYSA-N 1 0 396.289 2.062 20 0 GEADRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)Cc3ncsc3Br)C[C@]2(C)C1 ZINC000918369542 654149645 /nfs/dbraw/zinc/14/96/45/654149645.db2.gz SIBWBMPYHJMKRC-STQMWFEESA-N 1 0 394.360 2.009 20 0 GEADRO O=C1N[C@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@@H]2CO1 ZINC000830959432 654153256 /nfs/dbraw/zinc/15/32/56/654153256.db2.gz IYQGSCGAYHJVOR-HFAKWTLXSA-N 1 0 375.252 2.163 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cnsn2)CC1 ZINC000918555404 654154275 /nfs/dbraw/zinc/15/42/75/654154275.db2.gz ITMDCFMDLJZSPN-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)OC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851465900 654156148 /nfs/dbraw/zinc/15/61/48/654156148.db2.gz MJFUVMDGFYXGFX-MRXNPFEDSA-N 1 0 391.265 2.429 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000918698187 654158548 /nfs/dbraw/zinc/15/85/48/654158548.db2.gz YKISLPSFUZBGDV-AWEZNQCLSA-N 1 0 378.344 2.267 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000918698190 654158607 /nfs/dbraw/zinc/15/86/07/654158607.db2.gz YKISLPSFUZBGDV-CQSZACIVSA-N 1 0 378.344 2.267 20 0 GEADRO O=C(NCc1ncc(Br)cn1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000889714479 654161170 /nfs/dbraw/zinc/16/11/70/654161170.db2.gz MUJPRXUPQCZUPR-ZDUSSCGKSA-N 1 0 385.331 2.073 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)cc1Br ZINC000918892763 654164807 /nfs/dbraw/zinc/16/48/07/654164807.db2.gz MCIGUDUSFDRFQW-UHFFFAOYSA-N 1 0 398.282 2.182 20 0 GEADRO Cc1cc(Br)cc(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)c1 ZINC000918899736 654165226 /nfs/dbraw/zinc/16/52/26/654165226.db2.gz JHBBRKRHWAXDKP-UHFFFAOYSA-N 1 0 382.283 2.482 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC000889744119 654165811 /nfs/dbraw/zinc/16/58/11/654165811.db2.gz TUUHCHKAOAVCMW-ZIAGYGMSSA-N 1 0 397.317 2.034 20 0 GEADRO Cc1cc(OCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889744896 654166237 /nfs/dbraw/zinc/16/62/37/654166237.db2.gz YMHASUSJIKMALG-IRXDYDNUSA-N 1 0 397.313 2.194 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1Cl ZINC000918948195 654166365 /nfs/dbraw/zinc/16/63/65/654166365.db2.gz XUMPTWHKPBNEDH-HNNXBMFYSA-N 1 0 397.324 2.079 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889748065 654166813 /nfs/dbraw/zinc/16/68/13/654166813.db2.gz DHWFMTUICYDWTP-CVEARBPZSA-N 1 0 385.277 2.188 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800920431 654167042 /nfs/dbraw/zinc/16/70/42/654167042.db2.gz NRQNSZZGGWVTAW-CYBMUJFWSA-N 1 0 388.917 2.104 20 0 GEADRO Cc1ccc(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000889750436 654167349 /nfs/dbraw/zinc/16/73/49/654167349.db2.gz MZAKKOGIKLGOOT-SJORKVTESA-N 1 0 381.314 2.358 20 0 GEADRO Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000889750435 654167408 /nfs/dbraw/zinc/16/74/08/654167408.db2.gz MZAKKOGIKLGOOT-IRXDYDNUSA-N 1 0 381.314 2.358 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C2 ZINC000851641374 654167567 /nfs/dbraw/zinc/16/75/67/654167567.db2.gz MXXQCKUOAUYGFQ-WFASDCNBSA-N 1 0 376.400 2.181 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000851641029 654167610 /nfs/dbraw/zinc/16/76/10/654167610.db2.gz IXCDJXSCJIBQLR-NTZNESFSSA-N 1 0 378.416 2.426 20 0 GEADRO C[C@]12CCN(C(=O)NCC[NH2+]C3CC3)C[C@H]1C2(Br)Br ZINC000851662105 654168136 /nfs/dbraw/zinc/16/81/36/654168136.db2.gz VEUQVSCNRWAKPB-PWSUYJOCSA-N 1 0 395.139 2.276 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756011 654168277 /nfs/dbraw/zinc/16/82/77/654168277.db2.gz LPXQTZKSQYABSP-JKSUJKDBSA-N 1 0 397.313 2.437 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851669022 654168437 /nfs/dbraw/zinc/16/84/37/654168437.db2.gz VKAGICFLQOPLEK-CDLYGTGVSA-N 1 0 383.128 2.260 20 0 GEADRO O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889757133 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CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(F)c1Br ZINC000889902063 654186279 /nfs/dbraw/zinc/18/62/79/654186279.db2.gz BHNCKDYEQWTADJ-UHFFFAOYSA-N 1 0 386.265 2.327 20 0 GEADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cn1ccc(=O)c3cccc(Br)c31)C2 ZINC000902617782 654188352 /nfs/dbraw/zinc/18/83/52/654188352.db2.gz UEZGIIDEZBJZFJ-SGTLLEGYSA-N 1 0 390.281 2.309 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cn1nc(Cc2cccs2)oc1=S ZINC000902643040 654190036 /nfs/dbraw/zinc/19/00/36/654190036.db2.gz KDNRIRMXORQVDR-HUUCEWRRSA-N 1 0 380.539 2.346 20 0 GEADRO CC1(C)CC[N@H+](CCNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000890065797 654195460 /nfs/dbraw/zinc/19/54/60/654195460.db2.gz GKWKCWLIIAGMHL-UHFFFAOYSA-N 1 0 382.302 2.407 20 0 GEADRO CC1(C)CC[N@H+](CCNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000890075830 654195535 /nfs/dbraw/zinc/19/55/35/654195535.db2.gz PTUWPDZOPKVJDG-UHFFFAOYSA-N 1 0 396.289 2.144 20 0 GEADRO C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1nn(C)cc1I ZINC000870783943 654196244 /nfs/dbraw/zinc/19/62/44/654196244.db2.gz 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GEADRO COc1cc(I)ccc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000870937288 654209707 /nfs/dbraw/zinc/20/97/07/654209707.db2.gz YPFBJFZOKCKMDL-WDEREUQCSA-N 1 0 388.249 2.499 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(I)cc2OC)CC[C@@H]1[NH3+] ZINC000870939700 654209974 /nfs/dbraw/zinc/20/99/74/654209974.db2.gz BZJQBHUQNJYXDI-MFKMUULPSA-N 1 0 388.249 2.499 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000870940783 654210397 /nfs/dbraw/zinc/21/03/97/654210397.db2.gz OGQSLWXPVXNGCM-DAXOMENPSA-N 1 0 382.302 2.212 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903029551 654211077 /nfs/dbraw/zinc/21/10/77/654211077.db2.gz AUGMSMACLJTISX-LSDHHAIUSA-N 1 0 393.285 2.165 20 0 GEADRO OC[C@H]([NH2+]CCn1cnc(Br)n1)c1ccccc1OC(F)(F)F ZINC000852002827 654211737 /nfs/dbraw/zinc/21/17/37/654211737.db2.gz WOFGOMYBGXGDQB-JTQLQIEISA-N 1 0 395.179 2.262 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)c2ncc(I)s2)CC1 ZINC000903034335 654212389 /nfs/dbraw/zinc/21/23/89/654212389.db2.gz RWGHQCGZOLRUSI-UHFFFAOYSA-N 1 0 377.251 2.058 20 0 GEADRO CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870957573 654214289 /nfs/dbraw/zinc/21/42/89/654214289.db2.gz OLLGMECRYDQPBO-UKRRQHHQSA-N 1 0 382.302 2.212 20 0 GEADRO C[N@@H+](CCc1nc(-c2ccccc2)no1)CCn1cnc(Br)n1 ZINC000852039786 654214533 /nfs/dbraw/zinc/21/45/33/654214533.db2.gz GQRRSMXDOGKZKK-UHFFFAOYSA-N 1 0 377.246 2.265 20 0 GEADRO FC(F)(F)c1cc(Cl)c2nnc(C[NH2+][C@H]3CCO[C@@]34CCOC4)n2c1 ZINC000903066443 654214635 /nfs/dbraw/zinc/21/46/35/654214635.db2.gz JKOMVUFNRXIOKL-SMDDNHRTSA-N 1 0 376.766 2.439 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000870990829 654215367 /nfs/dbraw/zinc/21/53/67/654215367.db2.gz BRZYRSOWGGDSIX-SFHVURJKSA-N 1 0 396.329 2.402 20 0 GEADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000802137876 654216504 /nfs/dbraw/zinc/21/65/04/654216504.db2.gz XMARAZPVJSFORR-LBPRGKRZSA-N 1 0 386.242 2.444 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903104334 654216687 /nfs/dbraw/zinc/21/66/87/654216687.db2.gz SONBRCVJTAVRPG-HZMBPMFUSA-N 1 0 377.388 2.098 20 0 GEADRO C[N@H+](C[C@@H](O)CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C1CC1 ZINC000852337047 654233855 /nfs/dbraw/zinc/23/38/55/654233855.db2.gz IQKYCEMMZGTMNS-UPJWGTAASA-N 1 0 396.167 2.269 20 0 GEADRO C[C@@H](NC(=O)c1csc(I)n1)C1=CC[N@H+](C)CC1 ZINC000831938111 654219118 /nfs/dbraw/zinc/21/91/18/654219118.db2.gz YMBFRFJGNCCQDF-MRVPVSSYSA-N 1 0 377.251 2.128 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000903150303 654222132 /nfs/dbraw/zinc/22/21/32/654222132.db2.gz PIETXGSRRHXCCD-UHFFFAOYSA-N 1 0 375.560 2.369 20 0 GEADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903171247 654223859 /nfs/dbraw/zinc/22/38/59/654223859.db2.gz FXUYGAQWWPWQIJ-MFKMUULPSA-N 1 0 398.472 2.498 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852182521 654223852 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CC[NH+](CC)CCSCC(=O)N[C@@H]1CCSC2(CC(C(=O)OC)C2)C1 ZINC000890603217 654231134 /nfs/dbraw/zinc/23/11/34/654231134.db2.gz TXALNUIUSYKLHM-SWKXRBFHSA-N 1 0 388.599 2.395 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000921018177 654232188 /nfs/dbraw/zinc/23/21/88/654232188.db2.gz VKNCVTKOYAALSE-UHFFFAOYSA-N 1 0 383.857 2.066 20 0 GEADRO O=C(NCCn1cc(Br)cn1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000852331932 654232237 /nfs/dbraw/zinc/23/22/37/654232237.db2.gz DUJYTDCIVULZEQ-MRXNPFEDSA-N 1 0 392.301 2.219 20 0 GEADRO O=C(c1cccn1C1CC[NH2+]CC1)N1CCn2c(Br)cnc2C1 ZINC000832078509 654232365 /nfs/dbraw/zinc/23/23/65/654232365.db2.gz URBZUGUWOIYECD-UHFFFAOYSA-N 1 0 378.274 2.028 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@@]2(CO)COCCN2C)ccc1SC(F)F ZINC000903279143 654232450 /nfs/dbraw/zinc/23/24/50/654232450.db2.gz IOLQGEJAAGSJQT-YVEFUNNKSA-N 1 0 376.469 2.354 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)N2CCCC2)ccc1OC(F)F ZINC000903289828 654232501 /nfs/dbraw/zinc/23/25/01/654232501.db2.gz UCHSTZZSQSACJS-GFCCVEGCSA-N 1 0 378.441 2.373 20 0 GEADRO CCOC(=O)COCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852334791 654233246 /nfs/dbraw/zinc/23/32/46/654233246.db2.gz AJNSZWNNRSUTOC-PWSUYJOCSA-N 1 0 399.123 2.394 20 0 GEADRO CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335680 654233733 /nfs/dbraw/zinc/23/37/33/654233733.db2.gz KIVYXUZXNWEQGT-ADEWGFFLSA-N 1 0 399.123 2.128 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903318879 654233854 /nfs/dbraw/zinc/23/38/54/654233854.db2.gz RYOZYDKWILRTCZ-JSQNDZKTSA-N 1 0 386.539 2.251 20 0 GEADRO C[C@H]([NH2+]CCCc1nnnn1C)c1ccc(F)c(I)c1 ZINC000903348557 654234676 /nfs/dbraw/zinc/23/46/76/654234676.db2.gz GEALLLPPLKRLIS-VIFPVBQESA-N 1 0 389.216 2.237 20 0 GEADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000852349327 654234982 /nfs/dbraw/zinc/23/49/82/654234982.db2.gz GIFRWIAUXSLNLP-FRFSOERESA-N 1 0 375.918 2.269 20 0 GEADRO CO[C@@]1(C[NH2+][C@H](C)Cc2ccc(Br)c(F)c2)CCS(=O)(=O)C1 ZINC000903366633 654236304 /nfs/dbraw/zinc/23/63/04/654236304.db2.gz FAXHXCPMRYNJON-IAQYHMDHSA-N 1 0 394.306 2.313 20 0 GEADRO CO[C@]1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCS(=O)(=O)C1 ZINC000903367116 654236550 /nfs/dbraw/zinc/23/65/50/654236550.db2.gz XPAPIHCWNZXHNO-GJZGRUSLSA-N 1 0 378.416 2.271 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CCS(=O)(=O)C1 ZINC000903367679 654236558 /nfs/dbraw/zinc/23/65/58/654236558.db2.gz IZRVFMIMJYOEBT-HUUCEWRRSA-N 1 0 379.400 2.366 20 0 GEADRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000852432358 654239223 /nfs/dbraw/zinc/23/92/23/654239223.db2.gz YUQCBWAILIGFBV-NWDGAFQWSA-N 1 0 375.252 2.260 20 0 GEADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1c[nH]c2cc(Br)ccc21 ZINC000903499278 654242044 /nfs/dbraw/zinc/24/20/44/654242044.db2.gz LEGGGYJHJOTXSI-CQSZACIVSA-N 1 0 384.299 2.351 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)NC2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000921280263 654242175 /nfs/dbraw/zinc/24/21/75/654242175.db2.gz GMZRCVDHTKBIPI-UHFFFAOYSA-N 1 0 386.543 2.177 20 0 GEADRO CS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472808 654243705 /nfs/dbraw/zinc/24/37/05/654243705.db2.gz GMCFTUFBLOWANN-KGLIPLIRSA-N 1 0 384.464 2.077 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903514877 654245263 /nfs/dbraw/zinc/24/52/63/654245263.db2.gz HGDFYIWDWZPNHB-JSGCOSHPSA-N 1 0 384.299 2.445 20 0 GEADRO CO[C@@H](C[NH+]1CCC(n2nncc2I)CC1)C1CCC1 ZINC000852532205 654245950 /nfs/dbraw/zinc/24/59/50/654245950.db2.gz DWGLFJJVWCVXDO-ZDUSSCGKSA-N 1 0 390.269 2.335 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1nscc1I ZINC000890879962 654246659 /nfs/dbraw/zinc/24/66/59/654246659.db2.gz LLABQEUTEAGOEI-UHFFFAOYSA-N 1 0 381.283 2.408 20 0 GEADRO COC1(CC[NH+]2CCC(n3nncc3I)CC2)CCC1 ZINC000852532611 654246597 /nfs/dbraw/zinc/24/65/97/654246597.db2.gz NJFQFMUOICHHEW-UHFFFAOYSA-N 1 0 390.269 2.479 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000890879122 654246752 /nfs/dbraw/zinc/24/67/52/654246752.db2.gz PDYOSTQDOWCWGM-UHFFFAOYSA-N 1 0 375.300 2.164 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)Cc3cccc(F)c3Br)C[C@H]21 ZINC000903518809 654246801 /nfs/dbraw/zinc/24/68/01/654246801.db2.gz XXEDBHLBZUEOME-ZKYQVNSYSA-N 1 0 391.306 2.477 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)Cc3cccc(F)c3Br)C[C@@H]21 ZINC000903518805 654246855 /nfs/dbraw/zinc/24/68/55/654246855.db2.gz XXEDBHLBZUEOME-SCDSUCTJSA-N 1 0 391.306 2.477 20 0 GEADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903519542 654247651 /nfs/dbraw/zinc/24/76/51/654247651.db2.gz YMDAKBMDRWPNSD-JTQLQIEISA-N 1 0 393.303 2.115 20 0 GEADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1nscc1I ZINC000890897127 654248096 /nfs/dbraw/zinc/24/80/96/654248096.db2.gz OMAGTBWNUMMJQY-VIFPVBQESA-N 1 0 381.283 2.454 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1F ZINC000903521652 654248368 /nfs/dbraw/zinc/24/83/68/654248368.db2.gz ALVRPYBKSXKVAT-UHFFFAOYSA-N 1 0 393.278 2.113 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1F ZINC000903523162 654248568 /nfs/dbraw/zinc/24/85/68/654248568.db2.gz VXWPTRRGHWHNPG-AWEZNQCLSA-N 1 0 393.278 2.113 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1F ZINC000903522544 654248756 /nfs/dbraw/zinc/24/87/56/654248756.db2.gz RDCZMJPVGFPYIJ-IUCAKERBSA-N 1 0 381.267 2.003 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000903522775 654248828 /nfs/dbraw/zinc/24/88/28/654248828.db2.gz RYIYBUIYPJOELE-CQSZACIVSA-N 1 0 377.279 2.246 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1F ZINC000903526029 654249776 /nfs/dbraw/zinc/24/97/76/654249776.db2.gz ZUHFAUPASGDNJU-SMDDNHRTSA-N 1 0 393.278 2.160 20 0 GEADRO CCOC(=O)c1ccsc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903538364 654251709 /nfs/dbraw/zinc/25/17/09/654251709.db2.gz AFRVXRWDBQPMEA-QWRGUYRKSA-N 1 0 379.404 2.075 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCCN2S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000903539233 654251833 /nfs/dbraw/zinc/25/18/33/654251833.db2.gz CJBGWIYQYZSNNT-YVEFUNNKSA-N 1 0 383.901 2.117 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903544878 654252937 /nfs/dbraw/zinc/25/29/37/654252937.db2.gz KYWXSJWULHDNEX-ZDUSSCGKSA-N 1 0 388.917 2.094 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[NH2+]CCC23CCOCC3)c(Cl)cc1F ZINC000903547896 654253714 /nfs/dbraw/zinc/25/37/14/654253714.db2.gz VZHSJDJFRRIYDJ-UHFFFAOYSA-N 1 0 376.881 2.321 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c(Cl)cc1Cl ZINC000903556184 654255174 /nfs/dbraw/zinc/25/51/74/654255174.db2.gz PQDPDXOFWPWABA-NXEZZACHSA-N 1 0 395.308 2.385 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1Br ZINC000903560406 654256052 /nfs/dbraw/zinc/25/60/52/654256052.db2.gz CQJZPNCEZOFXLD-ZWKOPEQDSA-N 1 0 375.288 2.019 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCCCCCC1CC[NH2+]CC1 ZINC000903561303 654256070 /nfs/dbraw/zinc/25/60/70/654256070.db2.gz IRQPWEPHJMUBLB-UHFFFAOYSA-N 1 0 382.452 2.277 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(Cl)cc1Cl ZINC000832265317 654256223 /nfs/dbraw/zinc/25/62/23/654256223.db2.gz PFXHFLBTCVIZRM-TVQRCGJNSA-N 1 0 393.292 2.105 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1Cl ZINC000903560421 654256206 /nfs/dbraw/zinc/25/62/06/654256206.db2.gz FAFMWCOXGZKEEH-CUOATXAZSA-N 1 0 395.308 2.190 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCC2(n3cc(Br)cn3)CC2)C[N@@H+]1C1CC1 ZINC000921384329 654257928 /nfs/dbraw/zinc/25/79/28/654257928.db2.gz MSGUULUTSNLQDA-WCQYABFASA-N 1 0 382.306 2.059 20 0 GEADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903572579 654258245 /nfs/dbraw/zinc/25/82/45/654258245.db2.gz YKISRWCUUJORMX-MWLCHTKSSA-N 1 0 384.807 2.443 20 0 GEADRO Cc1cccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1Br ZINC000903572245 654258354 /nfs/dbraw/zinc/25/83/54/654258354.db2.gz KTOQGCHEFTVJFJ-RKDXNWHRSA-N 1 0 387.221 2.268 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000921389338 654258879 /nfs/dbraw/zinc/25/88/79/654258879.db2.gz JNANDIGBHINXSE-AWEZNQCLSA-N 1 0 376.320 2.263 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3=O)CC[C@H]1C(F)(F)F ZINC000903577983 654260414 /nfs/dbraw/zinc/26/04/14/654260414.db2.gz AFULLYHCZDZPHY-KGLIPLIRSA-N 1 0 376.400 2.106 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl ZINC000903578048 654260469 /nfs/dbraw/zinc/26/04/69/654260469.db2.gz AYZAMRINAZWWER-PWSUYJOCSA-N 1 0 399.822 2.199 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1cc(F)ccc1Br)C2 ZINC000903578489 654260729 /nfs/dbraw/zinc/26/07/29/654260729.db2.gz AOWHBDAHBMYBHR-BIMULSAOSA-N 1 0 377.279 2.230 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC[C@@H]1C(F)(F)F ZINC000903578071 654260753 /nfs/dbraw/zinc/26/07/53/654260753.db2.gz BHMOISJALXTXBW-NKWVEPMBSA-N 1 0 378.203 2.289 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000903579344 654261121 /nfs/dbraw/zinc/26/11/21/654261121.db2.gz NNHYXSWCBCQQFI-IONNQARKSA-N 1 0 378.203 2.289 20 0 GEADRO C[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C[C@@H]1C[NH3+] ZINC000871806206 654261278 /nfs/dbraw/zinc/26/12/78/654261278.db2.gz YRJFJPIIOXCNGE-YPMHNXCESA-N 1 0 385.917 2.220 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)CC[C@@H]1C(F)(F)F ZINC000903580299 654261406 /nfs/dbraw/zinc/26/14/06/654261406.db2.gz TYMANCMSPPLHFM-UONOGXRCSA-N 1 0 376.400 2.351 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N[C@@H]3CC34CC[NH2+]CC4)cc2N1 ZINC000871807547 654261680 /nfs/dbraw/zinc/26/16/80/654261680.db2.gz OIGLRFYHPSKBDO-OAHLLOKOSA-N 1 0 383.901 2.035 20 0 GEADRO O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000852818568 654261846 /nfs/dbraw/zinc/26/18/46/654261846.db2.gz LFBNIBADLHFMHN-OAHLLOKOSA-N 1 0 376.400 2.196 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000832363974 654261892 /nfs/dbraw/zinc/26/18/92/654261892.db2.gz BAOQLMNTKMYXSP-AWEZNQCLSA-N 1 0 397.372 2.314 20 0 GEADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852828011 654262294 /nfs/dbraw/zinc/26/22/94/654262294.db2.gz SKFIQUWMBMPGKW-SMDDNHRTSA-N 1 0 382.258 2.225 20 0 GEADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000871811975 654262915 /nfs/dbraw/zinc/26/29/15/654262915.db2.gz XPZZMTOYYMJUNW-LBPRGKRZSA-N 1 0 379.309 2.430 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)CCC2Cc3ccccc3C2)C[C@@H]1C(F)(F)F ZINC000871812617 654263204 /nfs/dbraw/zinc/26/32/04/654263204.db2.gz IJQPSIOUKYMNKD-CVEARBPZSA-N 1 0 376.444 2.190 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)C[C@H]1C(F)(F)F ZINC000871812474 654263226 /nfs/dbraw/zinc/26/32/26/654263226.db2.gz ADTWWBAFMYIEPO-ZYHUDNBSSA-N 1 0 375.372 2.099 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000903585252 654263535 /nfs/dbraw/zinc/26/35/35/654263535.db2.gz NLXNZNJOSDBMIU-YVEFUNNKSA-N 1 0 383.901 2.117 20 0 GEADRO C[C@@H]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000852863673 654263758 /nfs/dbraw/zinc/26/37/58/654263758.db2.gz QQRQSKMMTDZWGO-RISCZKNCSA-N 1 0 379.917 2.473 20 0 GEADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000921407011 654263767 /nfs/dbraw/zinc/26/37/67/654263767.db2.gz SHERIANVDRQBFX-WCQYABFASA-N 1 0 382.306 2.258 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871813533 654263954 /nfs/dbraw/zinc/26/39/54/654263954.db2.gz JLKXSDILZQTDSH-MNOVXSKESA-N 1 0 384.807 2.300 20 0 GEADRO COC(=O)c1cc2nc(NC(=O)[C@H]3CC[N@H+](C)C3)[nH]c2c(Br)c1 ZINC000891093290 654264338 /nfs/dbraw/zinc/26/43/38/654264338.db2.gz OLRRDUYUCFKXTK-QMMMGPOBSA-N 1 0 381.230 2.002 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@@H]1C(F)(F)F ZINC000871814733 654264347 /nfs/dbraw/zinc/26/43/47/654264347.db2.gz XIYIXSLNMNGPSO-RQJHMYQMSA-N 1 0 378.750 2.376 20 0 GEADRO O=C(c1cccn1C1CC[NH2+]CC1)N1CCn2ncc(Br)c2C1 ZINC000852868378 654264354 /nfs/dbraw/zinc/26/43/54/654264354.db2.gz RNMPCTULSLPWGE-UHFFFAOYSA-N 1 0 378.274 2.028 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903589030 654264533 /nfs/dbraw/zinc/26/45/33/654264533.db2.gz MFCZQLPQOPJLFK-DIFFPNOSSA-N 1 0 380.491 2.190 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871816163 654264767 /nfs/dbraw/zinc/26/47/67/654264767.db2.gz BIRLUYPCUTYSDK-ZLIFDBKOSA-N 1 0 388.917 2.317 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC000852880024 654264735 /nfs/dbraw/zinc/26/47/35/654264735.db2.gz JJKFUDFZQSURJV-GWCFXTLKSA-N 1 0 396.232 2.039 20 0 GEADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCCCCC[NH3+])cc1 ZINC000871823027 654266040 /nfs/dbraw/zinc/26/60/40/654266040.db2.gz NDFQDFYXIYLPRB-UHFFFAOYSA-N 1 0 376.544 2.010 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000871820761 654266085 /nfs/dbraw/zinc/26/60/85/654266085.db2.gz VJLWXRLDNSFZES-KBPBESRZSA-N 1 0 375.288 2.021 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903595927 654266019 /nfs/dbraw/zinc/26/60/19/654266019.db2.gz MJTNWTIMQQJZRQ-CQSZACIVSA-N 1 0 393.278 2.113 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903596315 654266077 /nfs/dbraw/zinc/26/60/77/654266077.db2.gz OUXFJVZRNIAMAY-KRWDZBQOSA-N 1 0 380.491 2.205 20 0 GEADRO C[C@]12CCN(C(=O)C[C@H]([NH3+])C3CC3)C[C@H]1C2(Br)Br ZINC000852901973 654266949 /nfs/dbraw/zinc/26/69/49/654266949.db2.gz XZAQYEUZYSWKHQ-UMNHJUIQSA-N 1 0 380.124 2.468 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H]3CCCC[NH2+]3)C[C@H]1C2(Br)Br ZINC000852901841 654266910 /nfs/dbraw/zinc/26/69/10/654266910.db2.gz SSSDJMJNZOQLHS-UMNHJUIQSA-N 1 0 380.124 2.483 20 0 GEADRO C[C@]12CCN(C(=O)C[C@@H]([NH3+])C3CC3)C[C@H]1C2(Br)Br ZINC000852901972 654267083 /nfs/dbraw/zinc/26/70/83/654267083.db2.gz XZAQYEUZYSWKHQ-FOGDFJRCSA-N 1 0 380.124 2.468 20 0 GEADRO CSCC[C@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000803223383 654268593 /nfs/dbraw/zinc/26/85/93/654268593.db2.gz QEAPLPWYUXZQFT-AWEZNQCLSA-N 1 0 383.583 2.334 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)(C(F)(F)F)CC1 ZINC000891213095 654272568 /nfs/dbraw/zinc/27/25/68/654272568.db2.gz HTDSQFUELRCAJK-LLVKDONJSA-N 1 0 375.357 2.404 20 0 GEADRO CCN1CCN(CC(C)(C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000832539626 654273278 /nfs/dbraw/zinc/27/32/78/654273278.db2.gz SXTFZYWZRWNDBZ-UHFFFAOYSA-N 1 0 387.977 2.119 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCS[C@H](C(F)(F)F)C1 ZINC000921528978 654278691 /nfs/dbraw/zinc/27/86/91/654278691.db2.gz YAWJJZUNMLRIDB-RDBSUJKOSA-N 1 0 381.464 2.054 20 0 GEADRO CN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903714048 654280482 /nfs/dbraw/zinc/28/04/82/654280482.db2.gz LHSHEAZNALYHCI-OLZOCXBDSA-N 1 0 377.794 2.037 20 0 GEADRO CN(Cc1ccccc1Cl)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903714569 654280675 /nfs/dbraw/zinc/28/06/75/654280675.db2.gz ZPGLEPINCYGNBK-YPMHNXCESA-N 1 0 377.794 2.037 20 0 GEADRO CC(C)N(Cc1cccs1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903720403 654281593 /nfs/dbraw/zinc/28/15/93/654281593.db2.gz BXQYOHJGWRLJBK-QWHCGFSZSA-N 1 0 377.432 2.223 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccsc2)CC[C@H]1C(F)(F)F ZINC000903720327 654281615 /nfs/dbraw/zinc/28/16/15/654281615.db2.gz ACYRGTISGPCCSR-JHJVBQTASA-N 1 0 375.416 2.150 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cn(C)nc2Br)C1 ZINC000921565251 654281692 /nfs/dbraw/zinc/28/16/92/654281692.db2.gz IAQVLNHVWNKXDA-ZDUSSCGKSA-N 1 0 386.338 2.350 20 0 GEADRO CS(=O)(=O)Cc1nc(CN2CCC(C[NH3+])(c3ccccc3)CC2)cs1 ZINC000903792977 654283794 /nfs/dbraw/zinc/28/37/94/654283794.db2.gz KMNPAUKMEYJBKT-UHFFFAOYSA-N 1 0 379.551 2.180 20 0 GEADRO C[NH+]1CCN(c2cc(C(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)ccn2)CC1 ZINC000803547573 654284067 /nfs/dbraw/zinc/28/40/67/654284067.db2.gz CKYBYMCRVZDXEE-PBHICJAKSA-N 1 0 383.323 2.489 20 0 GEADRO CC(C)[C@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[NH+]1CCCCCC1 ZINC000853283137 654290858 /nfs/dbraw/zinc/29/08/58/654290858.db2.gz DMVKEDZGYOLPCW-SXBQZSJRSA-N 1 0 385.496 2.497 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000891402548 654291422 /nfs/dbraw/zinc/29/14/22/654291422.db2.gz YUZCZWJZKISWCI-UHFFFAOYSA-N 1 0 399.333 2.339 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Br)s1)C[C@H]([NH3+])CC(F)F ZINC000903916523 654292013 /nfs/dbraw/zinc/29/20/13/654292013.db2.gz HFNLGEFMPMYNES-SNVBAGLBSA-N 1 0 384.290 2.431 20 0 GEADRO C[C@]1(NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC[NH2+]C1 ZINC000853337358 654292477 /nfs/dbraw/zinc/29/24/77/654292477.db2.gz GQSRDBQNRHSKBS-AWEZNQCLSA-N 1 0 379.766 2.088 20 0 GEADRO CC(C)N1C(=S)N=NC1CCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000853347325 654293009 /nfs/dbraw/zinc/29/30/09/654293009.db2.gz ICPQJTZFUFGDFA-ZDUSSCGKSA-N 1 0 382.559 2.354 20 0 GEADRO Brc1cc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc2c1OCCO2 ZINC000903975244 654293783 /nfs/dbraw/zinc/29/37/83/654293783.db2.gz ZTBQZRVEAHHDNT-AWEZNQCLSA-N 1 0 397.313 2.469 20 0 GEADRO CCO[C@H](CNS(=O)(=O)c1c(Cl)cccc1Br)C[NH+](C)C ZINC000921631124 654295598 /nfs/dbraw/zinc/29/55/98/654295598.db2.gz IYZVGQBJRHNUMJ-SNVBAGLBSA-N 1 0 399.738 2.348 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ncc(Br)cn1)c1cccs1 ZINC000891508826 654298236 /nfs/dbraw/zinc/29/82/36/654298236.db2.gz OOHCMASYHRQHKP-LLVKDONJSA-N 1 0 384.303 2.403 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3cc(Cl)cc(Cl)c3)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904085742 654300918 /nfs/dbraw/zinc/30/09/18/654300918.db2.gz RCKWPJIGBIHSKP-BIMULSAOSA-N 1 0 388.276 2.219 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc4sccc4c3)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904093216 654301207 /nfs/dbraw/zinc/30/12/07/654301207.db2.gz OIYIHOQFKNMTMY-GUTXKFCHSA-N 1 0 375.475 2.126 20 0 GEADRO Cc1ncc(I)c(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000891591096 654302038 /nfs/dbraw/zinc/30/20/38/654302038.db2.gz BMMMGPAGCLNLDW-UHFFFAOYSA-N 1 0 381.221 2.111 20 0 GEADRO O=C(N1CCC[C@H]([C@@H]2CCCC[N@@H+]2CN2CCOC2=S)C1)C(F)(F)F ZINC000853545436 654302676 /nfs/dbraw/zinc/30/26/76/654302676.db2.gz FLBCGDAXFTZSES-STQMWFEESA-N 1 0 379.448 2.216 20 0 GEADRO C[NH2+]CCOc1ccccc1-c1nc(-c2ccc(S(C)(=O)=O)s2)no1 ZINC000904126415 654302958 /nfs/dbraw/zinc/30/29/58/654302958.db2.gz JJOWVHHANPJWGY-UHFFFAOYSA-N 1 0 379.463 2.467 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCc2cnc(Br)cn2)[C@H]1c1ccccc1 ZINC000921679372 654303657 /nfs/dbraw/zinc/30/36/57/654303657.db2.gz WFFJXGHGZHPHGD-GOEBONIOSA-N 1 0 390.285 2.484 20 0 GEADRO CNS(=O)(=O)c1ccc(CNc2cc[nH+]c(C)c2Br)s1 ZINC000891654926 654305415 /nfs/dbraw/zinc/30/54/15/654305415.db2.gz WAMMUZPCULZGPN-UHFFFAOYSA-N 1 0 376.301 2.156 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Br)cnc1Cl ZINC000833558782 654307931 /nfs/dbraw/zinc/30/79/31/654307931.db2.gz FGMCKKFHSNISOQ-NSHDSACASA-N 1 0 376.682 2.074 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCOC3(CCSCC3)C2)C[C@H]1C(F)(F)F ZINC000891698197 654307953 /nfs/dbraw/zinc/30/79/53/654307953.db2.gz MMDFOKZWTQFWJU-FRRDWIJNSA-N 1 0 381.464 2.210 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904393036 654308772 /nfs/dbraw/zinc/30/87/72/654308772.db2.gz GUYGIAIVFJYOMS-OAHLLOKOSA-N 1 0 386.945 2.463 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(CN3C(=O)N[C@](C)(c4ccc(Cl)s4)C3=O)C[C@]2(C)C1 ZINC000904435785 654310698 /nfs/dbraw/zinc/31/06/98/654310698.db2.gz FXNJWIKASHKZGM-ZTFRIQLXSA-N 1 0 382.917 2.010 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc(Br)c1F ZINC000904449442 654311061 /nfs/dbraw/zinc/31/10/61/654311061.db2.gz IBMVABVFAREPQF-VSYUYLJXSA-N 1 0 386.221 2.389 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCSC2(CCC2)C1 ZINC000921720481 654311231 /nfs/dbraw/zinc/31/12/31/654311231.db2.gz YCPHKHFKRPYYQW-HNNXBMFYSA-N 1 0 386.587 2.158 20 0 GEADRO O=C(NCCc1nc2c(s1)CCCC2)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921722943 654311657 /nfs/dbraw/zinc/31/16/57/654311657.db2.gz PSEGVVLXSYKODN-HIFRSBDPSA-N 1 0 380.583 2.443 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)nc12 ZINC000891791157 654311969 /nfs/dbraw/zinc/31/19/69/654311969.db2.gz NFPJSPXSHMLEEL-HUUCEWRRSA-N 1 0 392.301 2.441 20 0 GEADRO CCN(C(=O)NCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CC[NH2+]C1 ZINC000891791070 654312101 /nfs/dbraw/zinc/31/21/01/654312101.db2.gz MQTITPNPOVRCPO-CQSZACIVSA-N 1 0 380.290 2.299 20 0 GEADRO CC[C@H](CCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000872050258 654312919 /nfs/dbraw/zinc/31/29/19/654312919.db2.gz XVNMDGOYKKFKRO-GFCCVEGCSA-N 1 0 382.452 2.284 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872045805 654313048 /nfs/dbraw/zinc/31/30/48/654313048.db2.gz ROJSEGMNUGPWHB-UKRRQHHQSA-N 1 0 391.331 2.056 20 0 GEADRO Cn1c(C(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1-c1ccccc1Br ZINC000834298957 654313756 /nfs/dbraw/zinc/31/37/56/654313756.db2.gz FNEBGIRWMASABS-ZDUSSCGKSA-N 1 0 391.313 2.170 20 0 GEADRO Brc1cnn(Cc2noc(-c3cccc4c3OCC[NH2+]C4)n2)c1 ZINC000904616712 654314352 /nfs/dbraw/zinc/31/43/52/654314352.db2.gz KFRJNWGDAVZKMY-UHFFFAOYSA-N 1 0 376.214 2.226 20 0 GEADRO N[C@@H](Cc1nc(Cc2cc3c(cc2Br)OCO3)no1)C(F)F ZINC000904667673 654315297 /nfs/dbraw/zinc/31/52/97/654315297.db2.gz YJTFFSCNOHYZDU-QMMMGPOBSA-N 1 0 376.157 2.287 20 0 GEADRO Cc1cc(C[NH2+][C@H](C)CS(C)(=O)=O)c(C)cc1I ZINC000921737355 654315798 /nfs/dbraw/zinc/31/57/98/654315798.db2.gz FKQBXCZUPCLBPU-LLVKDONJSA-N 1 0 381.279 2.431 20 0 GEADRO [NH3+]C[C@]1(c2nc(Cc3cc4c(cc3Br)OCO4)no2)CCCOC1 ZINC000872178367 654316225 /nfs/dbraw/zinc/31/62/25/654316225.db2.gz VUKODTVCNAEYIX-MRXNPFEDSA-N 1 0 396.241 2.159 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CN2CCC[C@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199556 654316523 /nfs/dbraw/zinc/31/65/23/654316523.db2.gz PYMMKDXBEWCKGX-UXLLHSPISA-N 1 0 375.296 2.186 20 0 GEADRO [NH3+]CCN1CCC[C@@H](c2nc(-c3ccc(Br)cc3F)no2)C1=O ZINC000904690601 654316710 /nfs/dbraw/zinc/31/67/10/654316710.db2.gz UEAZLBMDMODICS-NSHDSACASA-N 1 0 383.221 2.303 20 0 GEADRO CC(C)N(Cc1cccs1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872187751 654316692 /nfs/dbraw/zinc/31/66/92/654316692.db2.gz ZKUOPNYKUODXIO-WCQYABFASA-N 1 0 377.432 2.081 20 0 GEADRO O[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)COc1cc(F)cc(Br)c1 ZINC000872218704 654317413 /nfs/dbraw/zinc/31/74/13/654317413.db2.gz AIPJDELIVCLFDO-FWVFGCCPSA-N 1 0 386.261 2.341 20 0 GEADRO [NH3+]CCCSCCc1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000904714575 654317661 /nfs/dbraw/zinc/31/76/61/654317661.db2.gz YIKJDOBEEDONSL-UHFFFAOYSA-N 1 0 399.314 2.387 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)NCc1ccc(Br)cc1F ZINC000853718315 654317701 /nfs/dbraw/zinc/31/77/01/654317701.db2.gz FAGKUTYFWGBWLC-UHFFFAOYSA-N 1 0 389.313 2.271 20 0 GEADRO CN(C)c1ccc(-c2noc([C@]34C[NH2+]C[C@H]3CCOC4)n2)cc1Br ZINC000904727221 654318164 /nfs/dbraw/zinc/31/81/64/654318164.db2.gz GTZFMRDESARLMG-PXAZEXFGSA-N 1 0 393.285 2.443 20 0 GEADRO COC[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1cccc(Br)c1 ZINC000872236512 654318342 /nfs/dbraw/zinc/31/83/42/654318342.db2.gz PKZLOFSEIDXMOK-HOTGVXAUSA-N 1 0 388.302 2.019 20 0 GEADRO CS(=O)(=O)c1ccc(-c2noc([C@@H]3CC[NH2+][C@@H]([C@H]4CCCO4)C3)n2)s1 ZINC000904733738 654318563 /nfs/dbraw/zinc/31/85/63/654318563.db2.gz RPKNLRUDBPDCMU-IJLUTSLNSA-N 1 0 383.495 2.216 20 0 GEADRO O=C1OCC[C@H]1CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000872244361 654319430 /nfs/dbraw/zinc/31/94/30/654319430.db2.gz JBUVFNDXJDRDQG-RISCZKNCSA-N 1 0 390.249 2.261 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000872242856 654319544 /nfs/dbraw/zinc/31/95/44/654319544.db2.gz QARAHQDBUZWSPU-CYBMUJFWSA-N 1 0 385.249 2.108 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC1CC[NH2+]CC1 ZINC000891959107 654320496 /nfs/dbraw/zinc/32/04/96/654320496.db2.gz TVCSBEODBRULQR-AWEZNQCLSA-N 1 0 376.284 2.127 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264331 654320882 /nfs/dbraw/zinc/32/08/82/654320882.db2.gz OAPLBTNRGLYHBF-CABCVRRESA-N 1 0 384.263 2.391 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000853787525 654321221 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GEADRO [NH3+]C[C@@H](NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000892029909 654325565 /nfs/dbraw/zinc/32/55/65/654325565.db2.gz YCWZANIGSGQPDM-OAHLLOKOSA-N 1 0 378.274 2.171 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000834451833 654326231 /nfs/dbraw/zinc/32/62/31/654326231.db2.gz DSXIDMYJDLFUEZ-ZDUSSCGKSA-N 1 0 387.933 2.372 20 0 GEADRO Cc1sc(NC[C@@H]2CCCS2)nc1-c1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000905015933 654326494 /nfs/dbraw/zinc/32/64/94/654326494.db2.gz XVBAANMRFVGCKE-STQMWFEESA-N 1 0 380.543 2.006 20 0 GEADRO O=C(NCC[NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccc(Br)cc1 ZINC000905057950 654328165 /nfs/dbraw/zinc/32/81/65/654328165.db2.gz CCJNNQXCBZUWGM-INIZCTEOSA-N 1 0 399.329 2.215 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000804956545 654328329 /nfs/dbraw/zinc/32/83/29/654328329.db2.gz SLAJGIQFIRMJEO-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000804956751 654328343 /nfs/dbraw/zinc/32/83/43/654328343.db2.gz XJVHNVBTYVSWCE-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO C[C@@]1(CNC(=O)c2ccc3ncc(I)n3c2)CCC[NH2+]C1 ZINC000834474852 654328425 /nfs/dbraw/zinc/32/84/25/654328425.db2.gz IDQRJAWVCULAKF-OAHLLOKOSA-N 1 0 398.248 2.058 20 0 GEADRO C[C@]1(CNC(=O)c2ccc3ncc(I)n3c2)CCC[NH2+]C1 ZINC000834474851 654328485 /nfs/dbraw/zinc/32/84/85/654328485.db2.gz IDQRJAWVCULAKF-HNNXBMFYSA-N 1 0 398.248 2.058 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905079079 654329287 /nfs/dbraw/zinc/32/92/87/654329287.db2.gz DMLFZGQKDKBGSY-AWEZNQCLSA-N 1 0 385.302 2.342 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905079782 654329411 /nfs/dbraw/zinc/32/94/11/654329411.db2.gz IZAHSOHOEJVTDD-OAHLLOKOSA-N 1 0 381.325 2.288 20 0 GEADRO O=C(NCCSCCC(F)(F)F)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000892132729 654330081 /nfs/dbraw/zinc/33/00/81/654330081.db2.gz TYCWHUHIYSZHLQ-UHFFFAOYSA-N 1 0 382.496 2.188 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834541364 654333095 /nfs/dbraw/zinc/33/30/95/654333095.db2.gz VBAPOFYQEPBSPR-KGLIPLIRSA-N 1 0 377.551 2.082 20 0 GEADRO Nc1nc(N2CC(O)(c3ccc(Br)cc3)C2)c2c([nH+]1)CCCC2 ZINC000853972046 654333297 /nfs/dbraw/zinc/33/32/97/654333297.db2.gz QGRZIUNFADBBIA-UHFFFAOYSA-N 1 0 375.270 2.408 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872437389 654334947 /nfs/dbraw/zinc/33/49/47/654334947.db2.gz IJPMMHZQAVHKNW-WBPRFABPSA-N 1 0 381.608 2.475 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905167774 654335501 /nfs/dbraw/zinc/33/55/01/654335501.db2.gz VSDZLCIJWKGFCX-XHDPSFHLSA-N 1 0 376.266 2.011 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1ccc(Br)nc1 ZINC000853994656 654335862 /nfs/dbraw/zinc/33/58/62/654335862.db2.gz CSCSTAQXZXKZQC-CYBMUJFWSA-N 1 0 395.301 2.021 20 0 GEADRO O=C(Cc1cccs1)Nc1nc(CC(=O)N[C@H]2CCC[NH2+]CC2)cs1 ZINC000834579332 654336252 /nfs/dbraw/zinc/33/62/52/654336252.db2.gz VLHPZOSBUPGCHR-LBPRGKRZSA-N 1 0 378.523 2.187 20 0 GEADRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1nc(Br)cs1 ZINC000834578672 654336259 /nfs/dbraw/zinc/33/62/59/654336259.db2.gz WXXJJJSZFAMWHG-JTQLQIEISA-N 1 0 375.336 2.109 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872444100 654337248 /nfs/dbraw/zinc/33/72/48/654337248.db2.gz LQQLNHLYGKKZTE-QHCPKHFHSA-N 1 0 375.560 2.321 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)cn1 ZINC000834604427 654337514 /nfs/dbraw/zinc/33/75/14/654337514.db2.gz HICADELFMNDMLA-UHFFFAOYSA-N 1 0 375.782 2.442 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1COc2cccc(Br)c2C1 ZINC000892268439 654337933 /nfs/dbraw/zinc/33/79/33/654337933.db2.gz WARAKTBYTNUQNT-ABAIWWIYSA-N 1 0 380.286 2.194 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905200422 654338064 /nfs/dbraw/zinc/33/80/64/654338064.db2.gz KVMBFDCULNYDCL-OSMBCOQSSA-N 1 0 388.302 2.017 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ncc(Br)cn1 ZINC000892286397 654338266 /nfs/dbraw/zinc/33/82/66/654338266.db2.gz KJTMRSJFFLRZQD-XQQFMLRXSA-N 1 0 384.322 2.405 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872448127 654338558 /nfs/dbraw/zinc/33/85/58/654338558.db2.gz KNPCQCNFNUYWTD-CYBMUJFWSA-N 1 0 385.917 2.330 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(I)n1 ZINC000854443077 654361667 /nfs/dbraw/zinc/36/16/67/654361667.db2.gz MVDIYIPIHTVXEJ-VIFPVBQESA-N 1 0 379.267 2.352 20 0 GEADRO CSc1nc(Cl)c(F)c(NC2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000872450345 654339337 /nfs/dbraw/zinc/33/93/37/654339337.db2.gz VGDUKTWWWHRHBX-UHFFFAOYSA-N 1 0 375.901 2.346 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000854066059 654339506 /nfs/dbraw/zinc/33/95/06/654339506.db2.gz YPWPMIYNLUNKJD-UMNHJUIQSA-N 1 0 397.155 2.474 20 0 GEADRO CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834634585 654339672 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LYYUSFCEUAAXPB-UHFFFAOYSA-N 1 0 399.289 2.103 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]Cc2ccc(O)c(Cl)c2)CCC1 ZINC000905415614 654355868 /nfs/dbraw/zinc/35/58/68/654355868.db2.gz LXZORKJGUJYIAL-HNNXBMFYSA-N 1 0 390.933 2.137 20 0 GEADRO CCC[C@H](C)CC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000905423340 654356287 /nfs/dbraw/zinc/35/62/87/654356287.db2.gz PDZXGYULXZCIOE-HNNXBMFYSA-N 1 0 390.571 2.127 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872503224 654358517 /nfs/dbraw/zinc/35/85/17/654358517.db2.gz WNLGJDFEDOWTMX-BJHJDKERSA-N 1 0 385.917 2.233 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CC2)CCCO1 ZINC000892699550 654360075 /nfs/dbraw/zinc/36/00/75/654360075.db2.gz RYYFQBWJPNWJGO-OAHLLOKOSA-N 1 0 382.302 2.240 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCO2 ZINC000905491400 654360499 /nfs/dbraw/zinc/36/04/99/654360499.db2.gz UZELFWSNORUGKF-FYLGKEKYSA-N 1 0 375.334 2.025 20 0 GEADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@]1(C)CCOC2(CCC2)C1 ZINC000905493904 654360947 /nfs/dbraw/zinc/36/09/47/654360947.db2.gz VXCDINAHCRVJLK-QGZVFWFLSA-N 1 0 375.531 2.072 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000835076022 654360978 /nfs/dbraw/zinc/36/09/78/654360978.db2.gz GXKSFRSNKWFSLP-ZDUSSCGKSA-N 1 0 397.317 2.329 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000835077977 654360985 /nfs/dbraw/zinc/36/09/85/654360985.db2.gz YBEBCGZTHXUIRO-YPMHNXCESA-N 1 0 397.317 2.328 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000892759518 654362461 /nfs/dbraw/zinc/36/24/61/654362461.db2.gz PEOQYJVQBUQFIJ-FUHWJXTLSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@]12CCN(C(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C[C@H]1C2(Cl)Cl ZINC000892765039 654363219 /nfs/dbraw/zinc/36/32/19/654363219.db2.gz YOZUVNZLQVUCRD-GUTXKFCHSA-N 1 0 376.328 2.370 20 0 GEADRO NC(=O)NC(=O)CC[NH2+][C@@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC000905553208 654365521 /nfs/dbraw/zinc/36/55/21/654365521.db2.gz SZNKICRSPZYFFY-GFCCVEGCSA-N 1 0 382.258 2.370 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)n2)C1 ZINC000835150515 654365767 /nfs/dbraw/zinc/36/57/67/654365767.db2.gz SUYDCUFYQINRHD-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)C[C@@H]2C1 ZINC000854525805 654365894 /nfs/dbraw/zinc/36/58/94/654365894.db2.gz ICEUNCSYDMECFR-NEPJUHHUSA-N 1 0 381.270 2.244 20 0 GEADRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000905577792 654366897 /nfs/dbraw/zinc/36/68/97/654366897.db2.gz GSYWWSVAHSSOBE-CYBMUJFWSA-N 1 0 383.432 2.106 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000905577794 654367042 /nfs/dbraw/zinc/36/70/42/654367042.db2.gz GSYWWSVAHSSOBE-ZDUSSCGKSA-N 1 0 383.432 2.106 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000892857879 654367440 /nfs/dbraw/zinc/36/74/40/654367440.db2.gz LNSGSEUNLKHYHH-AWEZNQCLSA-N 1 0 378.274 2.412 20 0 GEADRO Cc1nc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)sc1Br ZINC000922106336 654367669 /nfs/dbraw/zinc/36/76/69/654367669.db2.gz NQMDJFOZMFGCDG-UWVGGRQHSA-N 1 0 382.349 2.022 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)c1ccc(Br)cc1 ZINC000892867937 654367832 /nfs/dbraw/zinc/36/78/32/654367832.db2.gz BFBMRJCKBKGMAS-LSDHHAIUSA-N 1 0 397.361 2.488 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000892874990 654368478 /nfs/dbraw/zinc/36/84/78/654368478.db2.gz BPFBNZBQDNYQTB-YDHLFZDLSA-N 1 0 387.343 2.441 20 0 GEADRO CSc1cc(C(=O)NCC[N@H+](C)CCOCCO)c(Cl)cc1Cl ZINC000922119541 654369487 /nfs/dbraw/zinc/36/94/87/654369487.db2.gz SXFIPDBMXHXRFH-UHFFFAOYSA-N 1 0 381.325 2.386 20 0 GEADRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)CCOCCO ZINC000922119723 654369545 /nfs/dbraw/zinc/36/95/45/654369545.db2.gz WOXUMQIUKKXGRY-JKSUJKDBSA-N 1 0 375.296 2.154 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(S(=O)(=O)N(CC)CC)s2)[C@H]1OC ZINC000892901737 654369999 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CO[C@]1(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)CCS(=O)(=O)C1 ZINC000922616893 654403542 /nfs/dbraw/zinc/40/35/42/654403542.db2.gz AHHSEZIPBZTEJJ-AWEZNQCLSA-N 1 0 385.379 2.060 20 0 GEADRO CO[C@]1(C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)CCS(=O)(=O)C1 ZINC000922617256 654403552 /nfs/dbraw/zinc/40/35/52/654403552.db2.gz HXINROXNCYZEIW-GQPJMJRUSA-N 1 0 375.437 2.485 20 0 GEADRO CO[C@]1(C[NH2+]Cc2ccc(C)c(Br)c2C)CCS(=O)(=O)C1 ZINC000922618105 654404142 /nfs/dbraw/zinc/40/41/42/654404142.db2.gz FQQIBIXIMTTXLC-HNNXBMFYSA-N 1 0 376.316 2.359 20 0 GEADRO C[N@@H+]1CC[C@H]1CNC(=O)NCc1c(Br)cncc1Br ZINC000922666577 654406690 /nfs/dbraw/zinc/40/66/90/654406690.db2.gz AVOVBGQNYNASPV-QMMMGPOBSA-N 1 0 392.095 2.110 20 0 GEADRO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)N=[S@@](C)(=O)CC)cc1 ZINC000906057997 654410567 /nfs/dbraw/zinc/41/05/67/654410567.db2.gz PGLNPCDOYUBSRG-QHCPKHFHSA-N 1 0 377.532 2.182 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)NC1CC[NH+](C2CCC2)CC1 ZINC000922768161 654412299 /nfs/dbraw/zinc/41/22/99/654412299.db2.gz CCRBSQVBPWFDME-UHFFFAOYSA-N 1 0 396.333 2.451 20 0 GEADRO CCn1c(C[NH2+]CC[C@H]2CNC(=O)C2)nc(Br)c1Br ZINC000922779701 654412647 /nfs/dbraw/zinc/41/26/47/654412647.db2.gz YXXGGOWVGZNLSV-MRVPVSSYSA-N 1 0 394.111 2.044 20 0 GEADRO Cc1cc(NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)ccc1OCC[NH+](C)C ZINC000906068061 654413302 /nfs/dbraw/zinc/41/33/02/654413302.db2.gz QAKWGPHTZFZXDR-XMMPIXPASA-N 1 0 391.559 2.488 20 0 GEADRO O=C1C[C@@H](CC[NH2+]Cc2ncc(Br)cc2Br)CN1 ZINC000922783352 654413324 /nfs/dbraw/zinc/41/33/24/654413324.db2.gz PCTHRKGZDDUEFJ-MRVPVSSYSA-N 1 0 377.080 2.222 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000922801559 654414026 /nfs/dbraw/zinc/41/40/26/654414026.db2.gz BLQDDTIRUZYBHP-UHFFFAOYSA-N 1 0 384.299 2.328 20 0 GEADRO Brc1cnn(C2(C[NH2+]Cc3cnc(C4OCCO4)s3)CC2)c1 ZINC000922802088 654414085 /nfs/dbraw/zinc/41/40/85/654414085.db2.gz KWTLQBNIKMHHMP-UHFFFAOYSA-N 1 0 385.287 2.426 20 0 GEADRO Cn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922801847 654414197 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O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000893712907 654417373 /nfs/dbraw/zinc/41/73/73/654417373.db2.gz ZKIMFCZUGRXHET-QMMMGPOBSA-N 1 0 382.180 2.050 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)[NH+](C)C)ccc1Cl ZINC000855413298 654417471 /nfs/dbraw/zinc/41/74/71/654417471.db2.gz JTNAHWGOEPPPGF-CYBMUJFWSA-N 1 0 389.949 2.441 20 0 GEADRO C[NH+]1CCC(CCO)(NCc2cccc(F)c2I)CC1 ZINC000873135172 654418080 /nfs/dbraw/zinc/41/80/80/654418080.db2.gz YCUHBWYVXWRPLQ-UHFFFAOYSA-N 1 0 392.256 2.367 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+]Cc1c(C)ccc(Br)c1F ZINC000873148309 654418814 /nfs/dbraw/zinc/41/88/14/654418814.db2.gz LAJCWRLVPNRTKX-UHFFFAOYSA-N 1 0 375.238 2.056 20 0 GEADRO COC[C@H](C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(C)C ZINC000922949491 654421551 /nfs/dbraw/zinc/42/15/51/654421551.db2.gz HKLMKQHXFWWHKS-KBPBESRZSA-N 1 0 377.938 2.213 20 0 GEADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cccc(F)c1I)CC2 ZINC000922993232 654423636 /nfs/dbraw/zinc/42/36/36/654423636.db2.gz XSZCQRACWWLPIA-JTQLQIEISA-N 1 0 386.212 2.206 20 0 GEADRO CS(=O)(=O)c1cc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000873321056 654424443 /nfs/dbraw/zinc/42/44/43/654424443.db2.gz FWNXSVPQDARNDZ-WCBMZHEXSA-N 1 0 399.822 2.344 20 0 GEADRO O[C@H]1C[C@H]([NH2+]Cc2ccc(I)s2)C12CCOCC2 ZINC000923019647 654425059 /nfs/dbraw/zinc/42/50/59/654425059.db2.gz MLDYVAGQXIIUGO-QWRGUYRKSA-N 1 0 379.263 2.372 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873329250 654425248 /nfs/dbraw/zinc/42/52/48/654425248.db2.gz ULENOURGRNCTFT-ZDUSSCGKSA-N 1 0 383.290 2.433 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000923119676 654427429 /nfs/dbraw/zinc/42/74/29/654427429.db2.gz PKXJYNDUZOGJBE-YUTCNCBUSA-N 1 0 382.306 2.426 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906363599 654431406 /nfs/dbraw/zinc/43/14/06/654431406.db2.gz YNIFVEAVRPFBDW-LBPRGKRZSA-N 1 0 378.274 2.101 20 0 GEADRO C[NH+]1CCN(Cc2cccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c2)CC1 ZINC000906402230 654434617 /nfs/dbraw/zinc/43/46/17/654434617.db2.gz VYDRAHKGSHOUBH-CQSZACIVSA-N 1 0 394.730 2.494 20 0 GEADRO Cc1c(C(=O)NCC[N@@H+](C)C2CC2)nnn1-c1ccccc1Br ZINC000906404299 654434765 /nfs/dbraw/zinc/43/47/65/654434765.db2.gz ILDBQDNWPMNXSU-UHFFFAOYSA-N 1 0 378.274 2.162 20 0 GEADRO Cn1cc(C[N@@H+]2CCc3ccc(O)cc3CC2)c(I)n1 ZINC000893980807 654435864 /nfs/dbraw/zinc/43/58/64/654435864.db2.gz OCYPTUKOJFPALH-UHFFFAOYSA-N 1 0 383.233 2.331 20 0 GEADRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000906454149 654439045 /nfs/dbraw/zinc/43/90/45/654439045.db2.gz BVXXXYHHTLLVSZ-ZFWWWQNUSA-N 1 0 382.302 2.214 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2c(I)cnn2C)C[C@H]1C ZINC000894042506 654441646 /nfs/dbraw/zinc/44/16/46/654441646.db2.gz APIOBZKTXIKSSZ-NEPJUHHUSA-N 1 0 376.286 2.329 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1c(I)cnn1C ZINC000894052890 654442513 /nfs/dbraw/zinc/44/25/13/654442513.db2.gz DKOXZNQYGPHPLB-GFCCVEGCSA-N 1 0 376.286 2.331 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000923321070 654444133 /nfs/dbraw/zinc/44/41/33/654444133.db2.gz JSHBXMIPIFXFLQ-CYBMUJFWSA-N 1 0 382.306 2.402 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000873671988 654447034 /nfs/dbraw/zinc/44/70/34/654447034.db2.gz ZGOGZHVUOIVTFY-JSGCOSHPSA-N 1 0 396.285 2.139 20 0 GEADRO Cn1nc(Br)nc1CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000894107192 654447120 /nfs/dbraw/zinc/44/71/20/654447120.db2.gz PRMYEDFZFKBTSB-UHFFFAOYSA-N 1 0 380.290 2.064 20 0 GEADRO Fc1ccc([C@@H]2CN(C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)cc1Br ZINC000923370903 654447479 /nfs/dbraw/zinc/44/74/79/654447479.db2.gz KSEIKGCSAQSRFR-CJNGLKHVSA-N 1 0 385.277 2.340 20 0 GEADRO Cc1ncsc1CCN1CC[NH2+]CCN(CCc2scnc2C)CC1 ZINC000923395350 654448983 /nfs/dbraw/zinc/44/89/83/654448983.db2.gz MJRWWMXZJQOGPW-UHFFFAOYSA-N 1 0 379.599 2.209 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000873693065 654449519 /nfs/dbraw/zinc/44/95/19/654449519.db2.gz JKGWMKMVTJGIJC-GFCCVEGCSA-N 1 0 398.301 2.243 20 0 GEADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cn(C)nc1I ZINC000894141223 654450036 /nfs/dbraw/zinc/45/00/36/654450036.db2.gz RPAMQQFIYKPLHZ-SMDDNHRTSA-N 1 0 391.253 2.236 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000894154148 654451164 /nfs/dbraw/zinc/45/11/64/654451164.db2.gz SVGQBCINLWMMHR-ZDUSSCGKSA-N 1 0 375.922 2.308 20 0 GEADRO Cn1cc(C[NH2+]CCN2CCc3ccccc3C2)c(I)n1 ZINC000894164344 654451658 /nfs/dbraw/zinc/45/16/58/654451658.db2.gz GQZGSBRGIAAKCF-UHFFFAOYSA-N 1 0 396.276 2.173 20 0 GEADRO Cn1cc(C[NH2+]CCOc2ccc(F)cc2)c(I)n1 ZINC000894165213 654451770 /nfs/dbraw/zinc/45/17/70/654451770.db2.gz NUTLVVXMAMZVOO-UHFFFAOYSA-N 1 0 375.185 2.332 20 0 GEADRO CC(C)[C@H](CNCc1cn(C)nc1I)[NH+]1CCCC1 ZINC000894169212 654452191 /nfs/dbraw/zinc/45/21/91/654452191.db2.gz YGEDQADNQOIECH-ZDUSSCGKSA-N 1 0 376.286 2.235 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873716443 654453124 /nfs/dbraw/zinc/45/31/24/654453124.db2.gz KVAKRUMJCUUKFM-UHFFFAOYSA-N 1 0 393.285 2.394 20 0 GEADRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1ccccc1I ZINC000923445994 654453748 /nfs/dbraw/zinc/45/37/48/654453748.db2.gz XNEHBCRNZIDNDS-SRVKXCTJSA-N 1 0 387.265 2.300 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](OC)c2ccc(Br)s2)C1 ZINC000906619206 654453994 /nfs/dbraw/zinc/45/39/94/654453994.db2.gz OMSKCFSEZZABTI-ZWNOBZJWSA-N 1 0 377.304 2.035 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000873718527 654454145 /nfs/dbraw/zinc/45/41/45/654454145.db2.gz ZXRLWFFLEDJNGK-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO Cn1ncc(I)c1CNCC[N@H+](C)Cc1ccccc1 ZINC000894200676 654455005 /nfs/dbraw/zinc/45/50/05/654455005.db2.gz QIMSOGSVMGBTJW-UHFFFAOYSA-N 1 0 384.265 2.246 20 0 GEADRO CCCC[NH+]1CCC(NCc2cn(C)nc2I)CC1 ZINC000894207020 654455667 /nfs/dbraw/zinc/45/56/67/654455667.db2.gz NLCWZEWSNBBQKM-UHFFFAOYSA-N 1 0 376.286 2.379 20 0 GEADRO C[C@H](CNCc1cn(C)nc1I)[NH+]1CCC(C)CC1 ZINC000894208381 654456222 /nfs/dbraw/zinc/45/62/22/654456222.db2.gz HIBLBLICKWHBJZ-GFCCVEGCSA-N 1 0 376.286 2.235 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873732895 654456206 /nfs/dbraw/zinc/45/62/06/654456206.db2.gz ODFISMZREMBTHX-UHFFFAOYSA-N 1 0 380.247 2.156 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nscc1I ZINC000906643290 654456361 /nfs/dbraw/zinc/45/63/61/654456361.db2.gz DQTFNSUGYDBGGB-SECBINFHSA-N 1 0 379.267 2.352 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)c1 ZINC000873738070 654456772 /nfs/dbraw/zinc/45/67/72/654456772.db2.gz WDSCNZJLESTWLX-LLVKDONJSA-N 1 0 396.285 2.191 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000873742584 654457266 /nfs/dbraw/zinc/45/72/66/654457266.db2.gz XSMNJWNVRVYRDO-OLZOCXBDSA-N 1 0 396.285 2.091 20 0 GEADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000906657993 654457246 /nfs/dbraw/zinc/45/72/46/654457246.db2.gz AWMRKEBCLCFJJP-ILXRZTDVSA-N 1 0 379.551 2.315 20 0 GEADRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(I)cc2)CC[C@H]1C[NH3+] ZINC000923505998 654457600 /nfs/dbraw/zinc/45/76/00/654457600.db2.gz DUZULQDYDUODLG-NEPJUHHUSA-N 1 0 387.265 2.146 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906669847 654458687 /nfs/dbraw/zinc/45/86/87/654458687.db2.gz HIKCWMQTGKUWDK-UHFFFAOYSA-N 1 0 383.905 2.089 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000873754403 654459022 /nfs/dbraw/zinc/45/90/22/654459022.db2.gz JSWKCESKKDBHNW-CHWSQXEVSA-N 1 0 398.301 2.385 20 0 GEADRO Cc1cc(Br)c(CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)s1 ZINC000906679285 654459089 /nfs/dbraw/zinc/45/90/89/654459089.db2.gz WCWJAVHVFFNEEN-GFCCVEGCSA-N 1 0 388.375 2.361 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906676208 654459300 /nfs/dbraw/zinc/45/93/00/654459300.db2.gz RDSLWUBSTNOFCM-UHFFFAOYSA-N 1 0 383.905 2.028 20 0 GEADRO Cc1nc(C)c(CC[NH2+]Cc2cn(C)nc2I)s1 ZINC000894252788 654459382 /nfs/dbraw/zinc/45/93/82/654459382.db2.gz PQFGHXJRDOPIRG-UHFFFAOYSA-N 1 0 376.267 2.430 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)ccc1Br ZINC000906688242 654460207 /nfs/dbraw/zinc/46/02/07/654460207.db2.gz FIOMDXLSIMXEEV-UHFFFAOYSA-N 1 0 397.317 2.315 20 0 GEADRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000894263813 654461083 /nfs/dbraw/zinc/46/10/83/654461083.db2.gz JWAKOBOWJRACLQ-UHFFFAOYSA-N 1 0 375.516 2.265 20 0 GEADRO COC(=O)c1sccc1C[NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000894279315 654461456 /nfs/dbraw/zinc/46/14/56/654461456.db2.gz NVNATFBNXLAQAS-ZDUSSCGKSA-N 1 0 382.507 2.381 20 0 GEADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000906699199 654462032 /nfs/dbraw/zinc/46/20/32/654462032.db2.gz GLCGZQDEFQOHMH-CYBMUJFWSA-N 1 0 380.703 2.283 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000906699129 654462044 /nfs/dbraw/zinc/46/20/44/654462044.db2.gz CPAMORSTQZWPKV-GFCCVEGCSA-N 1 0 375.803 2.037 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000906702293 654462520 /nfs/dbraw/zinc/46/25/20/654462520.db2.gz XOOFWEFJAIHSCD-SNVBAGLBSA-N 1 0 392.656 2.294 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000894291607 654462548 /nfs/dbraw/zinc/46/25/48/654462548.db2.gz DCDUALVOFFPKTB-ZDUSSCGKSA-N 1 0 375.922 2.166 20 0 GEADRO OC1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)Cc2ccccc2C1 ZINC000894288233 654462784 /nfs/dbraw/zinc/46/27/84/654462784.db2.gz QFQLNDSLQZWLMA-UHFFFAOYSA-N 1 0 379.913 2.253 20 0 GEADRO O=S(=O)(CCN1CC[C@]2(C1)CCCC[NH2+]2)c1cccc(Br)c1 ZINC000923534364 654463601 /nfs/dbraw/zinc/46/36/01/654463601.db2.gz PYXZIEWDLTVAQA-INIZCTEOSA-N 1 0 387.343 2.441 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906715610 654463815 /nfs/dbraw/zinc/46/38/15/654463815.db2.gz XXQKEEXLYKHFLB-UHFFFAOYSA-N 1 0 384.249 2.175 20 0 GEADRO COc1cc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)ccc1Br ZINC000906715095 654463847 /nfs/dbraw/zinc/46/38/47/654463847.db2.gz GTOJMUOTKFNGOH-UHFFFAOYSA-N 1 0 396.285 2.045 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906715721 654463882 /nfs/dbraw/zinc/46/38/82/654463882.db2.gz ALARQBLWZVVKBR-UHFFFAOYSA-N 1 0 384.249 2.175 20 0 GEADRO O=S(=O)(CCN1CC[C@]2(C1)CCCC[NH2+]2)c1ccc(Br)cc1 ZINC000923536136 654464390 /nfs/dbraw/zinc/46/43/90/654464390.db2.gz IMXZNBYCSCLDOS-INIZCTEOSA-N 1 0 387.343 2.441 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000923537677 654464592 /nfs/dbraw/zinc/46/45/92/654464592.db2.gz XIJHCBLBRGXUQW-IUODEOHRSA-N 1 0 394.317 2.397 20 0 GEADRO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906726973 654464661 /nfs/dbraw/zinc/46/46/61/654464661.db2.gz GJYHTESBHFXQTE-KXUCPTDWSA-N 1 0 377.750 2.186 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000906736480 654466066 /nfs/dbraw/zinc/46/60/66/654466066.db2.gz AZBQPRZKCLEVLU-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000906739390 654466402 /nfs/dbraw/zinc/46/64/02/654466402.db2.gz KLASSXQMQZJOAZ-GVJMRKKJSA-N 1 0 394.191 2.260 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000906738705 654466432 /nfs/dbraw/zinc/46/64/32/654466432.db2.gz HDZVSIWBGOUIHK-XWEPSHTISA-N 1 0 394.191 2.260 20 0 GEADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000906737984 654466467 /nfs/dbraw/zinc/46/64/67/654466467.db2.gz GAMFLFYCWIQZLI-JTQLQIEISA-N 1 0 390.228 2.314 20 0 GEADRO Cc1cc(Br)c(CC(=O)NCCC[NH+]2CCC(O)CC2)s1 ZINC000906740406 654466934 /nfs/dbraw/zinc/46/69/34/654466934.db2.gz VSMQBXBWTICWBH-UHFFFAOYSA-N 1 0 375.332 2.325 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000906740779 654466967 /nfs/dbraw/zinc/46/69/67/654466967.db2.gz KZRDJNOUDJCHSC-CYBMUJFWSA-N 1 0 399.333 2.457 20 0 GEADRO C[NH+](C)CCc1ccc(CNC(=O)NCc2ncc(Br)cn2)cc1 ZINC000894345807 654467055 /nfs/dbraw/zinc/46/70/55/654467055.db2.gz PGPLTOGSELWXMK-UHFFFAOYSA-N 1 0 392.301 2.343 20 0 GEADRO Ic1cnn2c1CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923549552 654467877 /nfs/dbraw/zinc/46/78/77/654467877.db2.gz LPAVENJNGLCCLN-YHWZYXNKSA-N 1 0 386.281 2.224 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906766195 654469554 /nfs/dbraw/zinc/46/95/54/654469554.db2.gz NLGLKTXNWRXQEG-HNNXBMFYSA-N 1 0 382.302 2.358 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC000906769679 654470263 /nfs/dbraw/zinc/47/02/63/654470263.db2.gz GIKLLRJXBVNVPM-INIZCTEOSA-N 1 0 398.326 2.464 20 0 GEADRO CCOc1cc(CN(C)S(=O)(=O)[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000923587698 654470420 /nfs/dbraw/zinc/47/04/20/654470420.db2.gz CQDSYCKVQXUYQL-ZDUSSCGKSA-N 1 0 378.441 2.200 20 0 GEADRO O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254565 654473216 /nfs/dbraw/zinc/47/32/16/654473216.db2.gz CLDNPYOIXWPWPI-LBPRGKRZSA-N 1 0 377.794 2.425 20 0 GEADRO COc1ccc(Br)cc1C1(NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923649593 654473223 /nfs/dbraw/zinc/47/32/23/654473223.db2.gz AHONNQOERJHBHL-LBPRGKRZSA-N 1 0 389.315 2.118 20 0 GEADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254654 654473231 /nfs/dbraw/zinc/47/32/31/654473231.db2.gz XSWCJBXELDXMGA-IAGOWNOFSA-N 1 0 387.307 2.475 20 0 GEADRO O=C(c1cnc(Cl)c(Br)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856255423 654473617 /nfs/dbraw/zinc/47/36/17/654473617.db2.gz HLILSWLZPPYZTH-LBPRGKRZSA-N 1 0 388.693 2.169 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)C[C@H]1C(F)(F)F ZINC000894420403 654473947 /nfs/dbraw/zinc/47/39/47/654473947.db2.gz ZCULNRCOTVDDNC-WUHRBBMRSA-N 1 0 385.448 2.452 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2occc2Br)CC[C@@H]1C(F)(F)F ZINC000923660964 654474229 /nfs/dbraw/zinc/47/42/29/654474229.db2.gz HBVQGDDQAOCOKS-YUMQZZPRSA-N 1 0 391.209 2.190 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000856283282 654474669 /nfs/dbraw/zinc/47/46/69/654474669.db2.gz TXZIHXJYRJOQDU-UHFFFAOYSA-N 1 0 376.469 2.462 20 0 GEADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000923669845 654475037 /nfs/dbraw/zinc/47/50/37/654475037.db2.gz DYLAZGVGQLRVRT-PWSUYJOCSA-N 1 0 384.395 2.371 20 0 GEADRO O[C@@H]1C[C@H]2CN(c3ncc(I)c4ccccc43)CC[N@@H+]2C1 ZINC000894432289 654475396 /nfs/dbraw/zinc/47/53/96/654475396.db2.gz OBWNCFRCNGWSHT-NWDGAFQWSA-N 1 0 395.244 2.095 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC000923699161 654478647 /nfs/dbraw/zinc/47/86/47/654478647.db2.gz HLUYZBOZVFKWFR-VHSXEESVSA-N 1 0 395.294 2.202 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)CC[C@H]1C[NH3+] ZINC000923698347 654478666 /nfs/dbraw/zinc/47/86/66/654478666.db2.gz CEPFLMOHMHQPAX-MNOVXSKESA-N 1 0 379.295 2.335 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000923698246 654478699 /nfs/dbraw/zinc/47/86/99/654478699.db2.gz FBTOCSFVXXNSLR-JSGCOSHPSA-N 1 0 382.917 2.440 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2nscc2I)C1 ZINC000906847594 654479273 /nfs/dbraw/zinc/47/92/73/654479273.db2.gz BSQLGWYVXXAAJF-SECBINFHSA-N 1 0 379.267 2.304 20 0 GEADRO Cc1c(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000923712964 654480360 /nfs/dbraw/zinc/48/03/60/654480360.db2.gz OXPHQSYPLUSSBK-UONOGXRCSA-N 1 0 380.901 2.064 20 0 GEADRO O=S(=O)(c1oc2ccccc2c1Br)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923719116 654480709 /nfs/dbraw/zinc/48/07/09/654480709.db2.gz JKEFIVMMOAAPJJ-WDEREUQCSA-N 1 0 385.283 2.425 20 0 GEADRO CCOc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1Br ZINC000923737226 654482337 /nfs/dbraw/zinc/48/23/37/654482337.db2.gz SDGVYQQSAQZYOV-MNOVXSKESA-N 1 0 377.304 2.254 20 0 GEADRO Cc1cc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC[NH2+]3)c3ccccc32)sn1 ZINC000923745711 654482633 /nfs/dbraw/zinc/48/26/33/654482633.db2.gz WIESTYBJJSAADO-KGLIPLIRSA-N 1 0 379.507 2.123 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906888509 654483174 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CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cccnc1Br)C2 ZINC000926169609 654562360 /nfs/dbraw/zinc/56/23/60/654562360.db2.gz LYQQMBZMRRIAMG-VMUDFCTBSA-N 1 0 382.302 2.054 20 0 GEADRO CCn1cc(Br)cc1C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926179756 654562620 /nfs/dbraw/zinc/56/26/20/654562620.db2.gz SBTPAUKXMHHVLS-IIVZCXTMSA-N 1 0 398.345 2.480 20 0 GEADRO CN(C)Cc1ccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1Br ZINC000907636951 654562598 /nfs/dbraw/zinc/56/25/98/654562598.db2.gz VMUAARQXMMLMHW-QGZVFWFLSA-N 1 0 384.318 2.296 20 0 GEADRO CC(C)Oc1cc(NC(=O)N2CCNCC[NH2+]CC2)ccc1Br ZINC000926186104 654562774 /nfs/dbraw/zinc/56/27/74/654562774.db2.gz XSWPFIRWVRORKT-UHFFFAOYSA-N 1 0 385.306 2.263 20 0 GEADRO Cc1c(C)c(NC(=O)N2CCO[C@@H](C[NH3+])C2)ccc1I ZINC000926204928 654563236 /nfs/dbraw/zinc/56/32/36/654563236.db2.gz YMRQXXQDGDWKIU-NSHDSACASA-N 1 0 389.237 2.099 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000926209613 654563622 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C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000926541401 654574485 /nfs/dbraw/zinc/57/44/85/654574485.db2.gz PKHXPOWOWYFICN-JMSVASOKSA-N 1 0 387.293 2.386 20 0 GEADRO C[C@H]1C[N@H+](CCCNC(=O)[C@@H](O)c2cccc(Br)c2)CCCO1 ZINC000907755114 654574977 /nfs/dbraw/zinc/57/49/77/654574977.db2.gz HHITURFRFOFZIP-BBRMVZONSA-N 1 0 385.302 2.100 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CCN(OC)CC1 ZINC000926544207 654575066 /nfs/dbraw/zinc/57/50/66/654575066.db2.gz WULPVXFCVJLYMY-CYBMUJFWSA-N 1 0 387.318 2.224 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCCC[C@@H]1CCCO)c1ccc(Br)cn1 ZINC000926682219 654580026 /nfs/dbraw/zinc/58/00/26/654580026.db2.gz CFCXVPZQBLCRCF-HIFRSBDPSA-N 1 0 384.318 2.495 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Br)n1 ZINC000926753709 654581783 /nfs/dbraw/zinc/58/17/83/654581783.db2.gz PHDOABOYUMTRCM-RYUDHWBXSA-N 1 0 388.273 2.211 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@H]3CCCc4ncc(Br)cc43)COCCN12 ZINC000926794693 654582168 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CN(Cc1ncc(Br)cn1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000926971772 654585917 /nfs/dbraw/zinc/58/59/17/654585917.db2.gz MAVONFXILDSFJL-AWEZNQCLSA-N 1 0 399.358 2.415 20 0 GEADRO C[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000927007141 654589296 /nfs/dbraw/zinc/58/92/96/654589296.db2.gz BKGOGEHKTCKZLR-LLVKDONJSA-N 1 0 399.314 2.133 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H](Cc1ccc(F)cc1Cl)c1ccoc1 ZINC000927027776 654589921 /nfs/dbraw/zinc/58/99/21/654589921.db2.gz NPJYNTNPTHFAJT-ZBFHGGJFSA-N 1 0 375.849 2.351 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000927037631 654590601 /nfs/dbraw/zinc/59/06/01/654590601.db2.gz AEQKVIUERCUPLG-FCLXEUQJSA-N 1 0 386.539 2.207 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000927098480 654591566 /nfs/dbraw/zinc/59/15/66/654591566.db2.gz DTADTSRCNPPFOY-HNNXBMFYSA-N 1 0 396.333 2.405 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927110759 654593233 /nfs/dbraw/zinc/59/32/33/654593233.db2.gz WXVWYESOPFKBMG-OCCSQVGLSA-N 1 0 384.322 2.116 20 0 GEADRO Cn1nccc1[C@@H](O)C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000927131384 654595061 /nfs/dbraw/zinc/59/50/61/654595061.db2.gz PNCQRVSZCKJLEK-ZFWWWQNUSA-N 1 0 383.233 2.335 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000927144957 654595212 /nfs/dbraw/zinc/59/52/12/654595212.db2.gz HJYURLQLWBFGCN-RISCZKNCSA-N 1 0 392.301 2.442 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000908013588 654596309 /nfs/dbraw/zinc/59/63/09/654596309.db2.gz HDTPUDXTXJKNQY-WMLDXEAASA-N 1 0 383.286 2.236 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000908080768 654602917 /nfs/dbraw/zinc/60/29/17/654602917.db2.gz BVNCXNUZAFPEPD-IAGOWNOFSA-N 1 0 382.302 2.258 20 0 GEADRO CN(C)c1cc[nH+]c(CNC(=O)CNC(=O)c2ccc(Br)s2)c1 ZINC000927699893 654610953 /nfs/dbraw/zinc/61/09/53/654610953.db2.gz LSOFDAANNPYPCF-UHFFFAOYSA-N 1 0 397.298 2.018 20 0 GEADRO O=C(Cc1c[nH]c2ccc(Br)cc12)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908205454 654613185 /nfs/dbraw/zinc/61/31/85/654613185.db2.gz ZWDVFHCGGKOIJY-GJZGRUSLSA-N 1 0 392.297 2.140 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000927814116 654615492 /nfs/dbraw/zinc/61/54/92/654615492.db2.gz KZLJSMWYNXBCAL-RDDDGLTNSA-N 1 0 394.191 2.131 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000927821776 654615771 /nfs/dbraw/zinc/61/57/71/654615771.db2.gz SSASAMYKLVDTCY-NXEZZACHSA-N 1 0 388.693 2.403 20 0 GEADRO O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000927822706 654615952 /nfs/dbraw/zinc/61/59/52/654615952.db2.gz XKGVNWKUXFVCGW-AWEZNQCLSA-N 1 0 386.279 2.207 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C[C@H]1CC[NH3+] ZINC000927827528 654615994 /nfs/dbraw/zinc/61/59/94/654615994.db2.gz LNTNMIJDWNIPHF-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000927829454 654616177 /nfs/dbraw/zinc/61/61/77/654616177.db2.gz SCSSADPMCHJMDI-VXGBXAGGSA-N 1 0 398.301 2.148 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1 ZINC000927842083 654616685 /nfs/dbraw/zinc/61/66/85/654616685.db2.gz KTEGPCOLTXTRLC-PSASIEDQSA-N 1 0 394.191 2.044 20 0 GEADRO CCCc1nc(C)c(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000927845198 654616958 /nfs/dbraw/zinc/61/69/58/654616958.db2.gz KHYRTUMVYCPFOJ-ZJUUUORDSA-N 1 0 378.420 2.081 20 0 GEADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCS[C@H](C(F)(F)F)C1 ZINC000927858300 654617863 /nfs/dbraw/zinc/61/78/63/654617863.db2.gz QPQFGAXJWZSOKK-ZDUSSCGKSA-N 1 0 375.416 2.241 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)ccc1Br ZINC000927869380 654618612 /nfs/dbraw/zinc/61/86/12/654618612.db2.gz ASMVZVISTNTIGE-RHSMWYFYSA-N 1 0 396.285 2.045 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c(F)cc1Br ZINC000927869323 654618651 /nfs/dbraw/zinc/61/86/51/654618651.db2.gz ZERRRGRFQQCTLB-RHSMWYFYSA-N 1 0 398.276 2.484 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000927882216 654619321 /nfs/dbraw/zinc/61/93/21/654619321.db2.gz LHSDOHSJTQVVQV-QGZVFWFLSA-N 1 0 385.917 2.091 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000927883239 654619368 /nfs/dbraw/zinc/61/93/68/654619368.db2.gz ORJLPASZGMPAQL-LLVKDONJSA-N 1 0 375.416 2.477 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000927887926 654619821 /nfs/dbraw/zinc/61/98/21/654619821.db2.gz FBJOLPNWKQQMMV-QMMMGPOBSA-N 1 0 392.656 2.377 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[C@@H]1C[NH3+] ZINC000927889486 654620072 /nfs/dbraw/zinc/62/00/72/654620072.db2.gz FSYMTIHXBZCVKW-VHSXEESVSA-N 1 0 375.803 2.323 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000927889616 654620076 /nfs/dbraw/zinc/62/00/76/654620076.db2.gz SLBRTWDPMNUVBK-NSHDSACASA-N 1 0 391.269 2.133 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000927889987 654620262 /nfs/dbraw/zinc/62/02/62/654620262.db2.gz ZVDVGHZQQJLZOI-LLVKDONJSA-N 1 0 391.269 2.133 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[C@H]1C[NH3+] ZINC000927892677 654620450 /nfs/dbraw/zinc/62/04/50/654620450.db2.gz XZOPJMNGVVNVCH-BDAKNGLRSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c1Br ZINC000927891777 654620455 /nfs/dbraw/zinc/62/04/55/654620455.db2.gz PUMLZACHPGAMDJ-GHMZBOCLSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC[C@@H]1C[NH3+] ZINC000927891725 654620492 /nfs/dbraw/zinc/62/04/92/654620492.db2.gz PPZDHONHXSACOQ-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc(C)c1Br ZINC000927892689 654620659 /nfs/dbraw/zinc/62/06/59/654620659.db2.gz YCTUICKJGUXOGM-STQMWFEESA-N 1 0 382.302 2.448 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000927894138 654620924 /nfs/dbraw/zinc/62/09/24/654620924.db2.gz PEVBONSQKKDUOM-CHWSQXEVSA-N 1 0 382.302 2.448 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000927895522 654620968 /nfs/dbraw/zinc/62/09/68/654620968.db2.gz YOHSYYOLEASHQU-VXGBXAGGSA-N 1 0 398.301 2.230 20 0 GEADRO O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928095541 654630222 /nfs/dbraw/zinc/63/02/22/654630222.db2.gz KFZBFSURZZHSRR-HUUCEWRRSA-N 1 0 382.913 2.350 20 0 GEADRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928097795 654630954 /nfs/dbraw/zinc/63/09/54/654630954.db2.gz QLTFAFSRVSDLDL-LZWOXQAQSA-N 1 0 381.567 2.199 20 0 GEADRO C[C@H]1[C@@H](NC(=O)c2cc(Br)ncc2Br)CC[N@@H+]1C ZINC000928423793 654647228 /nfs/dbraw/zinc/64/72/28/654647228.db2.gz BNFWBPQOXLCPET-XVKPBYJWSA-N 1 0 377.080 2.429 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000928446521 654647988 /nfs/dbraw/zinc/64/79/88/654647988.db2.gz XBVADZAMTVTQKZ-UHOFOFEASA-N 1 0 394.313 2.263 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)ccc1Cl ZINC000928458354 654648436 /nfs/dbraw/zinc/64/84/36/654648436.db2.gz VDWZMJDRMGXRTJ-WFASDCNBSA-N 1 0 387.933 2.193 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)c1nn2c(c1Br)CCC2)c1cccnc1 ZINC000928830789 654661926 /nfs/dbraw/zinc/66/19/26/654661926.db2.gz NWVJLPSJNNEHRA-CYBMUJFWSA-N 1 0 392.301 2.410 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1cccnc1 ZINC000928833254 654661955 /nfs/dbraw/zinc/66/19/55/654661955.db2.gz PDNGJQHBXBZIAU-AWEZNQCLSA-N 1 0 393.285 2.296 20 0 GEADRO CC[N@@H+]1CCN(c2nnc(-c3cnsn3)n2Cc2cccs2)C[C@@H]1C ZINC000909908094 654681423 /nfs/dbraw/zinc/68/14/23/654681423.db2.gz DEOQTAZFWNKKEX-LBPRGKRZSA-N 1 0 375.527 2.437 20 0 GEADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929383050 654681861 /nfs/dbraw/zinc/68/18/61/654681861.db2.gz KJYFQZQAPBRDFA-HOCLYGCPSA-N 1 0 376.266 2.313 20 0 GEADRO Cn1cc(Br)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1=O ZINC000929466716 654684781 /nfs/dbraw/zinc/68/47/81/654684781.db2.gz GMGQRAMFJCBJLG-HNNXBMFYSA-N 1 0 396.260 2.320 20 0 GEADRO Cn1cc(Br)c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1=O ZINC000929469025 654685084 /nfs/dbraw/zinc/68/50/84/654685084.db2.gz OMLAIYFTCZDNEH-CQSZACIVSA-N 1 0 392.297 2.051 20 0 GEADRO COC(=O)c1cc(Br)c(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000929521575 654686282 /nfs/dbraw/zinc/68/62/82/654686282.db2.gz TVKVHUQACIFKGI-GHMZBOCLSA-N 1 0 399.285 2.330 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCCc3sccc3C2)CCC1 ZINC000929599422 654688553 /nfs/dbraw/zinc/68/85/53/654688553.db2.gz IXXZWICNCYTWJE-MRXNPFEDSA-N 1 0 386.583 2.498 20 0 GEADRO C[N@@H+](Cc1ccc(Br)nc1N)C[C@H](O)COCc1ccccc1 ZINC000929628184 654689114 /nfs/dbraw/zinc/68/91/14/654689114.db2.gz QSIJYEMTDILCGW-HNNXBMFYSA-N 1 0 380.286 2.436 20 0 GEADRO C[C@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000929861525 654693388 /nfs/dbraw/zinc/69/33/88/654693388.db2.gz LJMXNLPMYBDERS-NSHDSACASA-N 1 0 379.810 2.470 20 0 GEADRO CON1CC[C@H]([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1=O ZINC000929949547 654695784 /nfs/dbraw/zinc/69/57/84/654695784.db2.gz CLVVUPAYDWVWEH-HNNXBMFYSA-N 1 0 396.285 2.262 20 0 GEADRO O[C@H](C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C1(O)CCOCC1 ZINC000930057347 654698179 /nfs/dbraw/zinc/69/81/79/654698179.db2.gz SMYHXTOJLDNFOT-WCQYABFASA-N 1 0 380.432 2.244 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000910538974 654702247 /nfs/dbraw/zinc/70/22/47/654702247.db2.gz YMLXSPDFINHICX-UHFFFAOYSA-N 1 0 398.345 2.454 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000930216467 654702233 /nfs/dbraw/zinc/70/22/33/654702233.db2.gz IKGGAXARQIFION-UHFFFAOYSA-N 1 0 392.301 2.480 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000930217737 654702282 /nfs/dbraw/zinc/70/22/82/654702282.db2.gz DAONQIXVEJOPGZ-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)[nH]cc1Br ZINC000930336071 654706427 /nfs/dbraw/zinc/70/64/27/654706427.db2.gz FXBXTUFVQXQTFD-CYBMUJFWSA-N 1 0 378.270 2.452 20 0 GEADRO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000930443323 654710566 /nfs/dbraw/zinc/71/05/66/654710566.db2.gz RMHKFPQIXKEAGF-RBSFLKMASA-N 1 0 378.604 2.252 20 0 GEADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000930497877 654711873 /nfs/dbraw/zinc/71/18/73/654711873.db2.gz TVYBWNJFSQOWIZ-QEJZJMRPSA-N 1 0 386.480 2.478 20 0 GEADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000910869486 654713187 /nfs/dbraw/zinc/71/31/87/654713187.db2.gz PYCPFBVXJZRTCZ-UHFFFAOYSA-N 1 0 390.347 2.461 20 0 GEADRO CSC[C@H]1CCC[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000930560460 654713714 /nfs/dbraw/zinc/71/37/14/654713714.db2.gz PXIZRBPXVRVSMP-GJZGRUSLSA-N 1 0 378.604 2.063 20 0 GEADRO CS(=O)(=O)N1CC(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C1 ZINC000930567522 654714108 /nfs/dbraw/zinc/71/41/08/654714108.db2.gz JLYJCVJDWYEEEH-AWEZNQCLSA-N 1 0 387.343 2.205 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(=O)n(C)cc1Br ZINC000930583701 654714312 /nfs/dbraw/zinc/71/43/12/654714312.db2.gz VVQHJDGDFJHLOP-XQQFMLRXSA-N 1 0 384.318 2.244 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000910961949 654714577 /nfs/dbraw/zinc/71/45/77/654714577.db2.gz HZKDONWKCMBUHD-BBBLOLIVSA-N 1 0 376.259 2.281 20 0 GEADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000910999902 654715065 /nfs/dbraw/zinc/71/50/65/654715065.db2.gz OASTVTDSJNJESY-UHFFFAOYSA-N 1 0 396.329 2.289 20 0 GEADRO O[C@@H](C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1)C1(O)CCOCC1 ZINC000930610049 654715103 /nfs/dbraw/zinc/71/51/03/654715103.db2.gz AXGBAFCPZKZRGH-ZDUSSCGKSA-N 1 0 380.432 2.244 20 0 GEADRO C[N@H+](CCNC(=O)c1cc(Br)cnc1Br)C1CC1 ZINC000930649738 654716023 /nfs/dbraw/zinc/71/60/23/654716023.db2.gz YNEMYXJOVIURLV-UHFFFAOYSA-N 1 0 377.080 2.431 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000911112424 654717301 /nfs/dbraw/zinc/71/73/01/654717301.db2.gz OWXGISSIMRUEGB-CDNVCLAFSA-N 1 0 379.913 2.333 20 0 GEADRO OC[C@H]1C[N@H+](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C[C@@H]1O ZINC000930698941 654717331 /nfs/dbraw/zinc/71/73/31/654717331.db2.gz BZWXYACEJBBDIP-QRQLOZEOSA-N 1 0 392.293 2.435 20 0 GEADRO OC[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C[C@H]1O ZINC000930698945 654717351 /nfs/dbraw/zinc/71/73/51/654717351.db2.gz BZWXYACEJBBDIP-YTQUADARSA-N 1 0 392.293 2.435 20 0 GEADRO NC(=O)C1([NH2+]Cc2ccc(Br)nc2N)C2CC3CC(C2)CC1C3 ZINC000930703737 654717721 /nfs/dbraw/zinc/71/77/21/654717721.db2.gz FPFUAASDISCZPC-UHFFFAOYSA-N 1 0 379.302 2.196 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911134942 654718049 /nfs/dbraw/zinc/71/80/49/654718049.db2.gz SCPLKNBUZSJOEJ-MBNYWOFBSA-N 1 0 386.323 2.402 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000930761527 654719168 /nfs/dbraw/zinc/71/91/68/654719168.db2.gz PQVPQFYXBIKNDW-IXDOHACOSA-N 1 0 398.297 2.443 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000911256324 654720896 /nfs/dbraw/zinc/72/08/96/654720896.db2.gz RUFXMZFLJHPMNF-CQSZACIVSA-N 1 0 398.276 2.153 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000911270277 654721077 /nfs/dbraw/zinc/72/10/77/654721077.db2.gz UZVZISCNGHKSIV-ZDUSSCGKSA-N 1 0 396.329 2.040 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1ccccc1SC(F)(F)F ZINC000911282822 654721271 /nfs/dbraw/zinc/72/12/71/654721271.db2.gz BUQHKEJPSLXZFI-LLVKDONJSA-N 1 0 375.416 2.031 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1ccccc1SC(F)(F)F ZINC000911282823 654721488 /nfs/dbraw/zinc/72/14/88/654721488.db2.gz BUQHKEJPSLXZFI-NSHDSACASA-N 1 0 375.416 2.031 20 0 GEADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ncc(Br)cn2)cc1 ZINC000930948207 654724370 /nfs/dbraw/zinc/72/43/70/654724370.db2.gz BGAGFQPVQJPCDN-UHFFFAOYSA-N 1 0 392.257 2.382 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549435 654725934 /nfs/dbraw/zinc/72/59/34/654725934.db2.gz KLPTTXPRQMZCTQ-OWCLPIDISA-N 1 0 394.313 2.195 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2SC(F)(F)F)C1 ZINC000911575206 654726578 /nfs/dbraw/zinc/72/65/78/654726578.db2.gz GIJZNNGXZHEMOS-CMPLNLGQSA-N 1 0 375.416 2.110 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)NCc1ccc(Br)cc1F ZINC000911578691 654726908 /nfs/dbraw/zinc/72/69/08/654726908.db2.gz IHPGVNLSATUKLA-UHFFFAOYSA-N 1 0 388.281 2.182 20 0 GEADRO COC(=O)c1ccc(Br)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000931067994 654727987 /nfs/dbraw/zinc/72/79/87/654727987.db2.gz VVBQANJEHMSPGV-MRXNPFEDSA-N 1 0 397.313 2.267 20 0 GEADRO C[C@@H](NC(=O)c1cnnn1-c1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000911717094 654730467 /nfs/dbraw/zinc/73/04/67/654730467.db2.gz BKNQASWOYVMZIZ-NEPJUHHUSA-N 1 0 378.274 2.148 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)n1 ZINC000911735318 654730980 /nfs/dbraw/zinc/73/09/80/654730980.db2.gz JCVVYFFGFZEDKJ-UHFFFAOYSA-N 1 0 393.289 2.283 20 0 GEADRO C[C@@H]1C[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@@H](C)C1(F)F ZINC000931160017 654731392 /nfs/dbraw/zinc/73/13/92/654731392.db2.gz RINYZIHXEFHCSF-MCIONIFRSA-N 1 0 382.517 2.211 20 0 GEADRO O=C(c1ccc(Br)[nH]c1=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000931181667 654732105 /nfs/dbraw/zinc/73/21/05/654732105.db2.gz AATGCKYBUNQFQX-UHFFFAOYSA-N 1 0 398.301 2.124 20 0 GEADRO C[C@@H]1CCCN(C(=O)C[C@H]2c3cccc(Br)c3NC2=O)[C@@H]1C[NH3+] ZINC000911822620 654732936 /nfs/dbraw/zinc/73/29/36/654732936.db2.gz ILEKZWQWBHOFKF-SCDSUCTJSA-N 1 0 380.286 2.461 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000911822960 654732960 /nfs/dbraw/zinc/73/29/60/654732960.db2.gz KUSDKFMACVFZBX-NEPJUHHUSA-N 1 0 378.274 2.229 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2nc(Br)c3ccccn32)n1 ZINC000931199256 654733266 /nfs/dbraw/zinc/73/32/66/654733266.db2.gz XRZDBXMMAAVOAH-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO Cc1c(C(=O)N[C@](C)(C[NH3+])C(C)C)nnn1-c1ccccc1Br ZINC000911831589 654733547 /nfs/dbraw/zinc/73/35/47/654733547.db2.gz LHSUQVGQIKNLDN-MRXNPFEDSA-N 1 0 380.290 2.441 20 0 GEADRO COc1ccc(Br)cc1[C@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911842398 654734058 /nfs/dbraw/zinc/73/40/58/654734058.db2.gz VJGRHZSYKBMMKN-KRWDZBQOSA-N 1 0 396.329 2.448 20 0 GEADRO Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nnn1-c1ccccc1Br ZINC000911856380 654734358 /nfs/dbraw/zinc/73/43/58/654734358.db2.gz NOYSSUKYVLMORJ-OLZOCXBDSA-N 1 0 390.285 2.305 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](N)c1ccccc1I ZINC000911867021 654734597 /nfs/dbraw/zinc/73/45/97/654734597.db2.gz GEFDOLOLMBGTNM-KBPBESRZSA-N 1 0 389.281 2.123 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2ccccc2[S@](=O)C(F)(F)F)CC1 ZINC000911875526 654734821 /nfs/dbraw/zinc/73/48/21/654734821.db2.gz PCHMZJLJEZVIIS-VWLOTQADSA-N 1 0 378.416 2.284 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000911931692 654736412 /nfs/dbraw/zinc/73/64/12/654736412.db2.gz BUVCRDRAMUUBHN-FGTMMUONSA-N 1 0 393.325 2.250 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000911933797 654736581 /nfs/dbraw/zinc/73/65/81/654736581.db2.gz QTTHQJAQQQMQHI-RCCFBDPRSA-N 1 0 393.325 2.250 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000911935831 654736646 /nfs/dbraw/zinc/73/66/46/654736646.db2.gz XVDXEDBOTAAOSJ-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000911937028 654736695 /nfs/dbraw/zinc/73/66/95/654736695.db2.gz HPMARCGURINTII-UHFFFAOYSA-N 1 0 377.432 2.108 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)CCc2cc(F)ccc2Br)CC1 ZINC000911941590 654736955 /nfs/dbraw/zinc/73/69/55/654736955.db2.gz SOSVYZOJZRDESY-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911939778 654736960 /nfs/dbraw/zinc/73/69/60/654736960.db2.gz ZVQWTYWNOFTIIK-CYBMUJFWSA-N 1 0 385.302 2.132 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)ccc1Cl ZINC000911993337 654739019 /nfs/dbraw/zinc/73/90/19/654739019.db2.gz SVPQDKDZCNPGJD-COMQUAJESA-N 1 0 385.917 2.292 20 0 GEADRO Cc1nn(C)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1C(F)(F)F ZINC000931367573 654739482 /nfs/dbraw/zinc/73/94/82/654739482.db2.gz FPQRWPBNZYNAPE-GHMZBOCLSA-N 1 0 377.436 2.449 20 0 GEADRO CC(C)C(=O)N1CCN(C(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)CC1 ZINC000912055365 654741359 /nfs/dbraw/zinc/74/13/59/654741359.db2.gz LWEXJZVLUZDMOY-INIZCTEOSA-N 1 0 396.329 2.036 20 0 GEADRO O[C@H](CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1)c1cc(Br)no1 ZINC000931494545 654744171 /nfs/dbraw/zinc/74/41/71/654744171.db2.gz XNUWMJMSOBJLFA-SOUVJXGZSA-N 1 0 378.270 2.429 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]([NH3+])C(C)(C)C)s1 ZINC000912169091 654744713 /nfs/dbraw/zinc/74/47/13/654744713.db2.gz RBKFTJKOGHZHGB-CYBMUJFWSA-N 1 0 375.560 2.158 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)N[C@@H](c2ccccc2)C2CC2)c1=O ZINC000912171723 654744812 /nfs/dbraw/zinc/74/48/12/654744812.db2.gz ZKHOACPHTYVDJG-INIZCTEOSA-N 1 0 390.281 2.451 20 0 GEADRO CC(C)[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)cc1 ZINC000912180952 654745397 /nfs/dbraw/zinc/74/53/97/654745397.db2.gz LZVMDDKWDFGTAX-VKZRIFJHSA-N 1 0 384.929 2.176 20 0 GEADRO CC(C)(C)[NH2+]CCC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000931547128 654746140 /nfs/dbraw/zinc/74/61/40/654746140.db2.gz CCJCNDPIHKZBCH-UHFFFAOYSA-N 1 0 384.318 2.463 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@@H](c1nccs1)C(F)(F)F ZINC000931556585 654746650 /nfs/dbraw/zinc/74/66/50/654746650.db2.gz ABGGTZAWJKEHEN-RYUDHWBXSA-N 1 0 378.420 2.299 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccnc(Br)c3)CC2)C1 ZINC000931557309 654746780 /nfs/dbraw/zinc/74/67/80/654746780.db2.gz WGAZQPCJBXPZTF-CQSZACIVSA-N 1 0 382.306 2.088 20 0 GEADRO O=C(Nc1nnc(C2CCOCC2)s1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931568380 654746996 /nfs/dbraw/zinc/74/69/96/654746996.db2.gz FIYKMGJCBRSBBF-QWHCGFSZSA-N 1 0 383.543 2.133 20 0 GEADRO [NH3+][C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)[C@H]2C[C@H]21 ZINC000912233246 654747031 /nfs/dbraw/zinc/74/70/31/654747031.db2.gz HDUBRLSGERKPMP-XUWVNRHRSA-N 1 0 382.291 2.261 20 0 GEADRO Cc1ccc([C@H](C)NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)cc1 ZINC000912238647 654747207 /nfs/dbraw/zinc/74/72/07/654747207.db2.gz KEKCCQGMYZSAPN-LBPRGKRZSA-N 1 0 378.270 2.369 20 0 GEADRO COc1cccc([C@@H](C)NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c1 ZINC000912253566 654747976 /nfs/dbraw/zinc/74/79/76/654747976.db2.gz IMGSAQYGTXGUNK-LLVKDONJSA-N 1 0 394.269 2.069 20 0 GEADRO COc1ccc([C@H](C)NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)cc1 ZINC000912254355 654748017 /nfs/dbraw/zinc/74/80/17/654748017.db2.gz SVRNYEYGOQDBIM-NSHDSACASA-N 1 0 394.269 2.069 20 0 GEADRO CC[C@@H](NC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1)C(=O)OC ZINC000912274468 654748397 /nfs/dbraw/zinc/74/83/97/654748397.db2.gz AVCDSUGUAFINTI-CQSZACIVSA-N 1 0 383.286 2.138 20 0 GEADRO COC1(OC)CC[N@H+](CCOc2cc(F)cc(Br)c2)C[C@H]1O ZINC000931635332 654750065 /nfs/dbraw/zinc/75/00/65/654750065.db2.gz QLVRXOQPEZPLEG-CQSZACIVSA-N 1 0 378.238 2.023 20 0 GEADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1nc(F)ccc1Br ZINC000912346671 654750779 /nfs/dbraw/zinc/75/07/79/654750779.db2.gz DLBDNAJJSGDVRP-UHFFFAOYSA-N 1 0 386.265 2.356 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000931647845 654750835 /nfs/dbraw/zinc/75/08/35/654750835.db2.gz HFVIGOQZKVTMET-LLVKDONJSA-N 1 0 381.278 2.486 20 0 GEADRO C[C@@](O)(C[NH2+][C@H]1C(=O)NCC1(C)C)c1ccc(Br)cc1Cl ZINC000931658264 654751486 /nfs/dbraw/zinc/75/14/86/654751486.db2.gz YSIDSUDALUBTME-SWLSCSKDSA-N 1 0 375.694 2.424 20 0 GEADRO C[C@H](c1cccs1)N(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912461704 654755079 /nfs/dbraw/zinc/75/50/79/654755079.db2.gz IZLLHUXVCPNPHT-SNVBAGLBSA-N 1 0 384.299 2.464 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000912466094 654755909 /nfs/dbraw/zinc/75/59/09/654755909.db2.gz SHEVOJWSPXDVMR-WMZOPIPTSA-N 1 0 397.313 2.196 20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1c(I)cnn1C ZINC000931762965 654756249 /nfs/dbraw/zinc/75/62/49/654756249.db2.gz CLVCLNIWAKDPBY-GFCCVEGCSA-N 1 0 397.264 2.130 20 0 GEADRO C[C@H](CNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[N@H+](C)C1CC1 ZINC000931780888 654756640 /nfs/dbraw/zinc/75/66/40/654756640.db2.gz UIWXEDWGFXZNPK-ZWNOBZJWSA-N 1 0 380.286 2.474 20 0 GEADRO C[C@H](CNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)[N@H+](C)C1CC1 ZINC000931780824 654756659 /nfs/dbraw/zinc/75/66/59/654756659.db2.gz RAKWQQZCPGIUOB-QMTHXVAHSA-N 1 0 380.286 2.474 20 0 GEADRO Cc1ccc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c(Br)n1 ZINC000912590478 654760128 /nfs/dbraw/zinc/76/01/28/654760128.db2.gz YADIHAOOVHUXAH-UHFFFAOYSA-N 1 0 384.318 2.365 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2nscc2Br)CC1 ZINC000912586250 654760191 /nfs/dbraw/zinc/76/01/91/654760191.db2.gz RAKOVWRUCGJIBA-UHFFFAOYSA-N 1 0 376.320 2.118 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000912607166 654760739 /nfs/dbraw/zinc/76/07/39/654760739.db2.gz CWKDSOMBKKPSQU-UHFFFAOYSA-N 1 0 383.208 2.464 20 0 GEADRO Cn1ccnc1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000912678536 654763432 /nfs/dbraw/zinc/76/34/32/654763432.db2.gz JXSASJSXAVOOAF-DZGCQCFKSA-N 1 0 377.286 2.340 20 0 GEADRO Cn1ccnc1[C@H](NC(=O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000912679665 654763854 /nfs/dbraw/zinc/76/38/54/654763854.db2.gz ZRFVNDYNKCRSLL-MRXNPFEDSA-N 1 0 377.286 2.484 20 0 GEADRO O=C1[C@@H]([N@@H+]2CC[C@@H](C3OCCO3)C2)CCN1c1cccc(Br)c1 ZINC000932000298 654763926 /nfs/dbraw/zinc/76/39/26/654763926.db2.gz BYBHROXSIAFFPI-DOMZBBRYSA-N 1 0 381.270 2.249 20 0 GEADRO Cc1cc(Br)c(CC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)s1 ZINC000912714900 654765132 /nfs/dbraw/zinc/76/51/32/654765132.db2.gz IVWCNWUMPNNQGO-ZDUSSCGKSA-N 1 0 387.343 2.419 20 0 GEADRO CN1CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)[C@H](CO)C1 ZINC000912738415 654765838 /nfs/dbraw/zinc/76/58/38/654765838.db2.gz DOODRODFSIYAIR-JTQLQIEISA-N 1 0 397.191 2.096 20 0 GEADRO Cc1cc(C(=O)N2CCN(C)C[C@H]2CO)nn1-c1ccc(Cl)c(Cl)c1 ZINC000912740005 654765874 /nfs/dbraw/zinc/76/58/74/654765874.db2.gz MJYMHYYCPLTIGM-ZDUSSCGKSA-N 1 0 383.279 2.236 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc2ncc(Br)cn2n1 ZINC000912764811 654766630 /nfs/dbraw/zinc/76/66/30/654766630.db2.gz KYODFARWEFDRNN-CYBMUJFWSA-N 1 0 392.301 2.344 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c[nH]nc1I ZINC000912802186 654768846 /nfs/dbraw/zinc/76/88/46/654768846.db2.gz AOLHLKGVSSNPCC-JQWIXIFHSA-N 1 0 390.269 2.207 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)C1 ZINC000932193982 654769690 /nfs/dbraw/zinc/76/96/90/654769690.db2.gz MXUVFCJDZJSCFZ-CABCVRRESA-N 1 0 383.583 2.483 20 0 GEADRO O=C(c1cc(Br)cn2ncnc12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000932237991 654771963 /nfs/dbraw/zinc/77/19/63/654771963.db2.gz JTTASGUKWFKQJR-ZDUSSCGKSA-N 1 0 378.274 2.192 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCc3ccc(F)c(Br)c3C2)C1 ZINC000912982796 654777363 /nfs/dbraw/zinc/77/73/63/654777363.db2.gz OQBDVLJBPYEKJM-KRWDZBQOSA-N 1 0 385.277 2.320 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000932553992 654781910 /nfs/dbraw/zinc/78/19/10/654781910.db2.gz UMFMKSVPLAUVRP-CQSZACIVSA-N 1 0 396.329 2.255 20 0 GEADRO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cnc1Br ZINC000932692211 654785758 /nfs/dbraw/zinc/78/57/58/654785758.db2.gz XYYITFHNDWSRHX-HNNXBMFYSA-N 1 0 383.334 2.154 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000932701535 654785960 /nfs/dbraw/zinc/78/59/60/654785960.db2.gz COBXGLGACMWHJM-ZDUSSCGKSA-N 1 0 395.345 2.477 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000932700997 654786001 /nfs/dbraw/zinc/78/60/01/654786001.db2.gz CDBGYNLLKFKQIB-NSHDSACASA-N 1 0 390.272 2.483 20 0 GEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3nscc3I)C[C@]2(C)C1 ZINC000913274924 654787714 /nfs/dbraw/zinc/78/77/14/654787714.db2.gz QRYFHDWLPVROTO-STQMWFEESA-N 1 0 391.278 2.162 20 0 GEADRO CCn1c(Br)ncc1C(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000913427446 654791704 /nfs/dbraw/zinc/79/17/04/654791704.db2.gz NNMKXHROISUQKY-UHFFFAOYSA-N 1 0 387.322 2.096 20 0 GEADRO C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932814037 654791886 /nfs/dbraw/zinc/79/18/86/654791886.db2.gz ANAUXHCLOKFHPX-MAUKXSAKSA-N 1 0 383.330 2.453 20 0 GEADRO CC1CCC([NH+]2CCN(C(=O)c3cc(=O)n(C)cc3Br)CC2)CC1 ZINC000932938769 654794734 /nfs/dbraw/zinc/79/47/34/654794734.db2.gz BPOFARCUSMYELR-UHFFFAOYSA-N 1 0 396.329 2.484 20 0 GEADRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000932958957 654798071 /nfs/dbraw/zinc/79/80/71/654798071.db2.gz RMERARDLPMKUER-ZDUSSCGKSA-N 1 0 376.507 2.173 20 0 GEADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NC12CC[NH+](CC1)C2 ZINC000913629002 654802148 /nfs/dbraw/zinc/80/21/48/654802148.db2.gz PEYWVPNQLRQYOJ-UHFFFAOYSA-N 1 0 397.298 2.458 20 0 GEADRO O=C(NC12CC[NH+](CC1)C2)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000913631408 654802191 /nfs/dbraw/zinc/80/21/91/654802191.db2.gz UMXKKGVBPQHHBM-MRXNPFEDSA-N 1 0 384.307 2.331 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@H](C)C1 ZINC000933172723 654803915 /nfs/dbraw/zinc/80/39/15/654803915.db2.gz SOYRVVJUEBRWMZ-VXGBXAGGSA-N 1 0 394.269 2.231 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913679874 654804027 /nfs/dbraw/zinc/80/40/27/654804027.db2.gz VGNJCGOKLRHSKU-CYBMUJFWSA-N 1 0 385.302 2.132 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000913681139 654804036 /nfs/dbraw/zinc/80/40/36/654804036.db2.gz SCPHRXQQAUHULD-UHFFFAOYSA-N 1 0 384.929 2.171 20 0 GEADRO Cc1cc(OCC(=O)N2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000913683004 654804122 /nfs/dbraw/zinc/80/41/22/654804122.db2.gz IGKLYSAQBWJMNT-UHFFFAOYSA-N 1 0 385.302 2.051 20 0 GEADRO C[C@H](NC(=O)c1nccc2c(Br)cccc21)[C@@H]1C[N@H+](C)CCN1C ZINC000933387849 654811222 /nfs/dbraw/zinc/81/12/22/654811222.db2.gz PNOQWABNBDMNIY-LRDDRELGSA-N 1 0 391.313 2.361 20 0 GEADRO COc1ccc(C[C@@](C)(CO)[NH2+]C[C@H](O)c2cc(Br)no2)cc1 ZINC000933431392 654812643 /nfs/dbraw/zinc/81/26/43/654812643.db2.gz ULRYACWLMZGEAE-BBRMVZONSA-N 1 0 385.258 2.062 20 0 GEADRO COc1coc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1=O ZINC000933437305 654813153 /nfs/dbraw/zinc/81/31/53/654813153.db2.gz LWDHJXHSJFCIBM-KRWDZBQOSA-N 1 0 382.254 2.494 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc2n1CCCC2 ZINC000933437632 654813161 /nfs/dbraw/zinc/81/31/61/654813161.db2.gz APKUMDMFTFCEHW-QGZVFWFLSA-N 1 0 379.302 2.460 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1ccccn1 ZINC000933438857 654813375 /nfs/dbraw/zinc/81/33/75/654813375.db2.gz GYJZTSGECKJOFB-QGZVFWFLSA-N 1 0 378.270 2.366 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000913881204 654813495 /nfs/dbraw/zinc/81/34/95/654813495.db2.gz OZMXBPITKNCWFV-UHFFFAOYSA-N 1 0 384.322 2.307 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cn3ncnc23)[C@H](C)C1 ZINC000933439494 654813656 /nfs/dbraw/zinc/81/36/56/654813656.db2.gz QQTFCVRXBDHNFE-RISCZKNCSA-N 1 0 380.290 2.294 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000913884550 654813607 /nfs/dbraw/zinc/81/36/07/654813607.db2.gz VUTYXNYWYVIOOM-FZMZJTMJSA-N 1 0 383.290 2.088 20 0 GEADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]CC(=O)NCC(=O)c1cccs1 ZINC000933440844 654813691 /nfs/dbraw/zinc/81/36/91/654813691.db2.gz BEBFBFLTSXNNTF-GOSISDBHSA-N 1 0 380.897 2.284 20 0 GEADRO Cn1cc(CNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c(Br)n1 ZINC000913888762 654813880 /nfs/dbraw/zinc/81/38/80/654813880.db2.gz LFIILNUQEAXNHE-OAHLLOKOSA-N 1 0 394.317 2.155 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000933452530 654813993 /nfs/dbraw/zinc/81/39/93/654813993.db2.gz CPWNLFONQPGKDT-UHFFFAOYSA-N 1 0 377.286 2.310 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000933491468 654814940 /nfs/dbraw/zinc/81/49/40/654814940.db2.gz NHRAPARQDHMPNO-MPKXVKKWSA-N 1 0 380.286 2.474 20 0 GEADRO C[C@@H](NC(=O)c1cc(=O)[nH]cc1Br)C1([NH+]2CCOCC2)CCCC1 ZINC000933562976 654817153 /nfs/dbraw/zinc/81/71/53/654817153.db2.gz HCJCXNVUVUTTPD-GFCCVEGCSA-N 1 0 398.301 2.313 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cnn(C)c1I ZINC000933733797 654822486 /nfs/dbraw/zinc/82/24/86/654822486.db2.gz WOAKSRMOUMLBLT-SNVBAGLBSA-N 1 0 391.257 2.021 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cnn(C)c1I ZINC000933736049 654823036 /nfs/dbraw/zinc/82/30/36/654823036.db2.gz QSLWDCDKSDUTDL-SNVBAGLBSA-N 1 0 391.257 2.021 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccsc1Br ZINC000914056556 654823923 /nfs/dbraw/zinc/82/39/23/654823923.db2.gz KUDWOGATQJGMGL-GFCCVEGCSA-N 1 0 397.360 2.041 20 0 GEADRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914065631 654824431 /nfs/dbraw/zinc/82/44/31/654824431.db2.gz AIJWGSLLNJQDRQ-MCFWBGNESA-N 1 0 399.460 2.162 20 0 GEADRO Cn1ncc(NC(=O)NCC[N@@H+]2CCCC2(C)C)c1I ZINC000933740583 654824550 /nfs/dbraw/zinc/82/45/50/654824550.db2.gz LTGVQRQFXWSFEX-UHFFFAOYSA-N 1 0 391.257 2.021 20 0 GEADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1cnc(Br)cn1 ZINC000914068539 654824618 /nfs/dbraw/zinc/82/46/18/654824618.db2.gz GXIGQAVMQYFWSE-UHFFFAOYSA-N 1 0 390.285 2.097 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914077887 654824867 /nfs/dbraw/zinc/82/48/67/654824867.db2.gz AUEMWYAQXRUKEI-CHWSQXEVSA-N 1 0 384.322 2.406 20 0 GEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(F)cc2Br)C1 ZINC000914080610 654825151 /nfs/dbraw/zinc/82/51/51/654825151.db2.gz GBKAWECNOGKIKZ-LLVKDONJSA-N 1 0 379.295 2.349 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000914090948 654825868 /nfs/dbraw/zinc/82/58/68/654825868.db2.gz SCYFLURRVZGLGW-SNVBAGLBSA-N 1 0 393.278 2.066 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cnc(-c3ccccc3)s2)CCOCC1 ZINC000914112373 654827345 /nfs/dbraw/zinc/82/73/45/654827345.db2.gz IYJKKIBNPCBPOL-UHFFFAOYSA-N 1 0 381.523 2.199 20 0 GEADRO CCOC(=O)C1([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCOCC1 ZINC000933876269 654829086 /nfs/dbraw/zinc/82/90/86/654829086.db2.gz INFQFGYSLPJTCC-ZYHUDNBSSA-N 1 0 377.350 2.273 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000933927642 654831012 /nfs/dbraw/zinc/83/10/12/654831012.db2.gz RSYKIXDUKWQLHG-FZMZJTMJSA-N 1 0 380.286 2.333 20 0 GEADRO CN1CCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@H+](C)CC1 ZINC000933993244 654833699 /nfs/dbraw/zinc/83/36/99/654833699.db2.gz VKLXQMVSOHWJST-QGZVFWFLSA-N 1 0 385.339 2.278 20 0 GEADRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000934161449 654837195 /nfs/dbraw/zinc/83/71/95/654837195.db2.gz AWBUEBXALVUTHA-UHFFFAOYSA-N 1 0 386.290 2.123 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccsc1Br ZINC000914235069 654837297 /nfs/dbraw/zinc/83/72/97/654837297.db2.gz LMDWWWCBODCKEF-LBPRGKRZSA-N 1 0 399.376 2.287 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000934165040 654837394 /nfs/dbraw/zinc/83/73/94/654837394.db2.gz OWCZNWJRDOBAOH-UHFFFAOYSA-N 1 0 395.345 2.477 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1occc1Br ZINC000914240575 654838039 /nfs/dbraw/zinc/83/80/39/654838039.db2.gz NXEASOYJTFRALA-UHFFFAOYSA-N 1 0 377.260 2.388 20 0 GEADRO COC(=O)CSc1ccc(OS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC000914242124 654838241 /nfs/dbraw/zinc/83/82/41/654838241.db2.gz AXKIAVZHBZVOMZ-KRWDZBQOSA-N 1 0 385.507 2.146 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1nnc(-c2ccc(Br)o2)o1 ZINC000934251149 654839839 /nfs/dbraw/zinc/83/98/39/654839839.db2.gz AOCTWNADQOLAGK-NEPJUHHUSA-N 1 0 397.273 2.123 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cn2cc(Br)ccc2n1 ZINC000934256622 654840338 /nfs/dbraw/zinc/84/03/38/654840338.db2.gz CRPMECGDYWATRP-HZPDHXFCSA-N 1 0 379.302 2.128 20 0 GEADRO COC(=O)c1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000934266928 654841879 /nfs/dbraw/zinc/84/18/79/654841879.db2.gz ADCMFWFZOFBYLE-DLBZAZTESA-N 1 0 397.313 2.267 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934269222 654842126 /nfs/dbraw/zinc/84/21/26/654842126.db2.gz NOFVIAWGKBIIAJ-IAGOWNOFSA-N 1 0 397.313 2.267 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934269223 654842161 /nfs/dbraw/zinc/84/21/61/654842161.db2.gz NOFVIAWGKBIIAJ-IRXDYDNUSA-N 1 0 397.313 2.267 20 0 GEADRO O=C(CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)Nc1ccc(Cl)cc1 ZINC000914325306 654845212 /nfs/dbraw/zinc/84/52/12/654845212.db2.gz GUFYFIGTTIFZKP-CABCVRRESA-N 1 0 382.917 2.158 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@H]2CCOC23CCCC3)c1 ZINC000934388968 654848650 /nfs/dbraw/zinc/84/86/50/654848650.db2.gz BIQNOEHBQJZWQW-HNNXBMFYSA-N 1 0 386.901 2.373 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)c2nccnc2c1 ZINC000934386119 654848674 /nfs/dbraw/zinc/84/86/74/654848674.db2.gz RUSRTAZJNVXGOH-CYBMUJFWSA-N 1 0 395.301 2.479 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934410459 654849278 /nfs/dbraw/zinc/84/92/78/654849278.db2.gz WQSIOJUMDUZBMR-MRXNPFEDSA-N 1 0 397.313 2.335 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3ccncc32)C[C@@H]1[NH+]1CCCC1 ZINC000914390784 654850422 /nfs/dbraw/zinc/85/04/22/654850422.db2.gz MCDRMKBVWQCTTL-DLBZAZTESA-N 1 0 377.535 2.435 20 0 GEADRO C[C@@](CO)([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Br)c1 ZINC000934498034 654851481 /nfs/dbraw/zinc/85/14/81/654851481.db2.gz WMLVHUJECGFSTL-JSGCOSHPSA-N 1 0 395.219 2.409 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000934578159 654853672 /nfs/dbraw/zinc/85/36/72/654853672.db2.gz SJLHWSPHFKOHSR-QSGSBWRWSA-N 1 0 392.297 2.474 20 0 GEADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000934748116 654857530 /nfs/dbraw/zinc/85/75/30/654857530.db2.gz VSEDARMLRSKPLA-UOXLDJKESA-N 1 0 395.438 2.221 20 0 GEADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000934748118 654857664 /nfs/dbraw/zinc/85/76/64/654857664.db2.gz VSEDARMLRSKPLA-VDBVYFBLSA-N 1 0 395.438 2.221 20 0 GEADRO O=C(NCc1noc(-c2cccs2)n1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000915211171 654865664 /nfs/dbraw/zinc/86/56/64/654865664.db2.gz TWGSEYUCCJSADP-RYUDHWBXSA-N 1 0 379.511 2.177 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1=O ZINC000935014302 654870995 /nfs/dbraw/zinc/87/09/95/654870995.db2.gz YNHZXWVPEFZLQX-LRDDRELGSA-N 1 0 394.313 2.237 20 0 GEADRO CCOc1ccc(Br)c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1F ZINC000935052542 654873368 /nfs/dbraw/zinc/87/33/68/654873368.db2.gz MUDGHZZRTGRTAB-HNNXBMFYSA-N 1 0 377.254 2.029 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000915593663 654874390 /nfs/dbraw/zinc/87/43/90/654874390.db2.gz UXRXUFIOJUOTTJ-ZDUSSCGKSA-N 1 0 383.290 2.089 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(C)cc(Cl)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000935092585 654875116 /nfs/dbraw/zinc/87/51/16/654875116.db2.gz LBGAICYKLDZGEZ-CQSZACIVSA-N 1 0 387.933 2.015 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C[C@@H]1CCCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000935093823 654875440 /nfs/dbraw/zinc/87/54/40/654875440.db2.gz WAKPVDCDYDMISZ-GJZGRUSLSA-N 1 0 380.501 2.169 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)C[C@H]1[NH+](C)C ZINC000935112801 654876411 /nfs/dbraw/zinc/87/64/11/654876411.db2.gz IHDGFQVNOSSQRB-QJPTWQEYSA-N 1 0 381.489 2.039 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935189512 654880889 /nfs/dbraw/zinc/88/08/89/654880889.db2.gz KEIGDUMKCJHTOA-JTNHKYCSSA-N 1 0 380.286 2.426 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1F ZINC000915881956 654881876 /nfs/dbraw/zinc/88/18/76/654881876.db2.gz YGUFOKMSDJZUQX-ONGXEEELSA-N 1 0 395.294 2.310 20 0 GEADRO C[NH+]1CCC2(CCC(NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC2)CC1 ZINC000915969077 654883766 /nfs/dbraw/zinc/88/37/66/654883766.db2.gz GFFLNGFIYBSWPF-HSZRJFAPSA-N 1 0 379.592 2.372 20 0 GEADRO S=C(NCCCN1CCOCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000916119062 654889303 /nfs/dbraw/zinc/88/93/03/654889303.db2.gz JEUNAIHLPLIYLO-MRXNPFEDSA-N 1 0 382.599 2.071 20 0 GEADRO C[NH+](C)C1(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CCC1 ZINC000935548450 654899742 /nfs/dbraw/zinc/89/97/42/654899742.db2.gz LHJOXLSXRHVLMZ-GFCCVEGCSA-N 1 0 380.286 2.475 20 0 GEADRO CC(C)(C)[NH2+]CCC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000935573490 654901224 /nfs/dbraw/zinc/90/12/24/654901224.db2.gz NZPQIGQEBIDGAU-UHFFFAOYSA-N 1 0 379.452 2.374 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1C(=O)Nc3c1cccc3Br)C2 ZINC000935666961 654909752 /nfs/dbraw/zinc/90/97/52/654909752.db2.gz QGEITLATUFYGIM-LBPRGKRZSA-N 1 0 378.270 2.039 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(F)cc(Br)c2F)C1 ZINC000935681455 654910362 /nfs/dbraw/zinc/91/03/62/654910362.db2.gz WAODOGKTPLLUDX-HNNXBMFYSA-N 1 0 377.229 2.256 20 0 GEADRO Cc1cc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cnc1Br ZINC000935696284 654911516 /nfs/dbraw/zinc/91/15/16/654911516.db2.gz JGOIULVBBWBONY-ZDUSSCGKSA-N 1 0 382.302 2.478 20 0 GEADRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(Br)[nH]c3=O)n2)CC1 ZINC000935703774 654911748 /nfs/dbraw/zinc/91/17/48/654911748.db2.gz YKPWVJSZXYNDAX-UHFFFAOYSA-N 1 0 380.246 2.265 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)NCC[N@H+]1CC=CCC1 ZINC000935749254 654914709 /nfs/dbraw/zinc/91/47/09/654914709.db2.gz MPUZFWDGVYUPDJ-CYBMUJFWSA-N 1 0 378.270 2.253 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000935830617 654919983 /nfs/dbraw/zinc/91/99/83/654919983.db2.gz XQPREJJHMSDHRI-HNNXBMFYSA-N 1 0 383.286 2.500 20 0 GEADRO C[NH+]1CCC(OCC(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000935957266 654930540 /nfs/dbraw/zinc/93/05/40/654930540.db2.gz XJYMCBVXYVSQSF-UHFFFAOYSA-N 1 0 377.229 2.454 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(=O)n(C)cc1Br ZINC000935962642 654930736 /nfs/dbraw/zinc/93/07/36/654930736.db2.gz HEINPGGJAAIZEX-UHFFFAOYSA-N 1 0 396.285 2.335 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3csc(Cl)n3)C2)CC[N@@H+]1C ZINC000940197428 654936607 /nfs/dbraw/zinc/93/66/07/654936607.db2.gz CRVXGMABVOQHEE-GFQSEFKGSA-N 1 0 384.933 2.104 20 0 GEADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2nc(Cl)cs2)C3)CCC1 ZINC000999573821 654953710 /nfs/dbraw/zinc/95/37/10/654953710.db2.gz XBSJYKGOKNPHJF-WOPDTQHZSA-N 1 0 382.917 2.143 20 0 GEADRO c1cc(C2OCCCO2)ccc1-c1ccc(N2CCN3CC[NH2+]C[C@H]3C2)nc1 ZINC001164401823 718837407 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390.225 2.019 20 0 GEADRO CCOC(=O)[C@]12CCO[C@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164433077 718977967 /nfs/dbraw/zinc/97/79/67/718977967.db2.gz JJFDZCWGYZHORI-UWJYYQICSA-N 1 0 389.496 2.105 20 0 GEADRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCc3ccccc3)C[C@H]21 ZINC001164441159 718983245 /nfs/dbraw/zinc/98/32/45/718983245.db2.gz WRVIBBBPYPFAHB-WDNDVIMCSA-N 1 0 394.809 2.425 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(Cl)n1 ZINC001164614000 719012563 /nfs/dbraw/zinc/01/25/63/719012563.db2.gz BKCHNRVILNEEBM-CIUDSAMLSA-N 1 0 381.210 2.058 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1c[nH]c2nc(Cl)ccc21 ZINC001164617084 719014896 /nfs/dbraw/zinc/01/48/96/719014896.db2.gz MBJOPUKOPLDIJH-ICCXJUOJSA-N 1 0 384.814 2.491 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164620838 719016806 /nfs/dbraw/zinc/01/68/06/719016806.db2.gz ZRUNMMSMLAUKNJ-KXUCPTDWSA-N 1 0 395.237 2.144 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(N(C)CC)n3)CC2)CC1 ZINC001164618183 719020682 /nfs/dbraw/zinc/02/06/82/719020682.db2.gz QOOUFLOJZHCIBL-UHFFFAOYSA-N 1 0 375.517 2.177 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cncc(N4CCCC4)n3)CC2)CC1 ZINC001164618452 719029285 /nfs/dbraw/zinc/02/92/85/719029285.db2.gz WZHAWAJQYDMGTB-UHFFFAOYSA-N 1 0 387.528 2.321 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164629989 719136869 /nfs/dbraw/zinc/13/68/69/719136869.db2.gz DYMDPXWZWALGEL-NSHDSACASA-N 1 0 388.827 2.355 20 0 GEADRO CC(=O)Oc1cc2ncnc(N3CC[NH+](CC(C)C)CC3)c2cc1OC(C)=O ZINC001164654389 719335838 /nfs/dbraw/zinc/33/58/38/719335838.db2.gz PBUFBAWLNUWBHI-UHFFFAOYSA-N 1 0 386.452 2.258 20 0 GEADRO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC000153175861 719441486 /nfs/dbraw/zinc/44/14/86/719441486.db2.gz RPISOJQSQUQREL-HZPDHXFCSA-N 1 0 387.553 2.423 20 0 GEADRO O=C([C@@H]1C[C@H]2OCC[C@@H]2N(c2ccc(C[NH+]3CCCC3)cn2)C1)N1CCCC1 ZINC001164679176 719542089 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CCOC(=O)c1cc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)ncc1Cl ZINC001164729165 720507204 /nfs/dbraw/zinc/50/72/04/720507204.db2.gz HTTNZJDXMGDAFA-CYBMUJFWSA-N 1 0 377.876 2.306 20 0 GEADRO COC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841517 720518061 /nfs/dbraw/zinc/51/80/61/720518061.db2.gz YRFMTPWADFKCTR-ZHALLVOQSA-N 1 0 383.496 2.443 20 0 GEADRO COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(OC)n1 ZINC001164838459 720522533 /nfs/dbraw/zinc/52/25/33/720522533.db2.gz RHIXLVIQMBVPJR-IXDOHACOSA-N 1 0 386.500 2.068 20 0 GEADRO CN(C)c1cc(C(F)(F)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc(Cl)n1 ZINC001164735173 720532347 /nfs/dbraw/zinc/53/23/47/720532347.db2.gz MUTGZVJVDICPKB-LBPRGKRZSA-N 1 0 399.877 2.135 20 0 GEADRO CCCSc1ncnc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1OC ZINC001164735847 720534000 /nfs/dbraw/zinc/53/40/00/720534000.db2.gz SJKIJMXOXROQFX-AWEZNQCLSA-N 1 0 376.530 2.382 20 0 GEADRO Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C(N)=O 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532185094 /nfs/dbraw/zinc/18/50/94/532185094.db2.gz ARCFLYQUPXEZAA-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO COc1cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)ccc1OC(F)F ZINC000177528096 532174647 /nfs/dbraw/zinc/17/46/47/532174647.db2.gz VPMVEPDZROFLFA-UHFFFAOYSA-N 1 0 378.441 2.152 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000177546033 532175566 /nfs/dbraw/zinc/17/55/66/532175566.db2.gz HSJOVOIZKLCHPG-LBPRGKRZSA-N 1 0 375.441 2.488 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178110897 532193433 /nfs/dbraw/zinc/19/34/33/532193433.db2.gz SGNGYFVDVSSPPR-GJZGRUSLSA-N 1 0 397.313 2.397 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000130707584 532193895 /nfs/dbraw/zinc/19/38/95/532193895.db2.gz CMSXRFCRPXRTKW-KCXAZCMYSA-N 1 0 396.329 2.430 20 0 GEADRO CSc1ncc(Cl)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000178134662 532194680 /nfs/dbraw/zinc/19/46/80/532194680.db2.gz JEWLFIKGBWDUMT-KGLIPLIRSA-N 1 0 384.933 2.350 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CCNC(=O)C(C)C)ccc1S(=O)(=O)C(F)F ZINC000178224613 532196949 /nfs/dbraw/zinc/19/69/49/532196949.db2.gz HCVHEQHENZWTTI-LLVKDONJSA-N 1 0 378.441 2.114 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H](CO)c1cccc(Br)c1 ZINC000177944741 532187092 /nfs/dbraw/zinc/18/70/92/532187092.db2.gz LYAZUPPGVLVTNY-BLLLJJGKSA-N 1 0 382.302 2.266 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1cccc(Cl)c1Cl ZINC000130061287 532189005 /nfs/dbraw/zinc/18/90/05/532189005.db2.gz PVBIJPQWIYPLKC-GFCCVEGCSA-N 1 0 388.295 2.285 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000178016219 532190706 /nfs/dbraw/zinc/19/07/06/532190706.db2.gz CTZKKOHPLWEKFL-NEPJUHHUSA-N 1 0 398.301 2.385 20 0 GEADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178669332 532209353 /nfs/dbraw/zinc/20/93/53/532209353.db2.gz SMMLXIDMMKSXED-IAQYHMDHSA-N 1 0 380.286 2.226 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178667631 532209370 /nfs/dbraw/zinc/20/93/70/532209370.db2.gz AIWDESWNSITFRQ-MRXNPFEDSA-N 1 0 396.329 2.417 20 0 GEADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178669375 532209469 /nfs/dbraw/zinc/20/94/69/532209469.db2.gz SMMLXIDMMKSXED-NHYWBVRUSA-N 1 0 380.286 2.226 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@@H]3CCC[NH2+]3)[nH]c(=O)c2c1C ZINC000178749475 532212332 /nfs/dbraw/zinc/21/23/32/532212332.db2.gz ADLHUERNNHCBLO-RYUDHWBXSA-N 1 0 380.539 2.091 20 0 GEADRO Cc1ncsc1C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000132362436 532213997 /nfs/dbraw/zinc/21/39/97/532213997.db2.gz DNEIWPMYMWZUMH-CYBMUJFWSA-N 1 0 381.523 2.323 20 0 GEADRO CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC[NH+](C)CC1 ZINC000178847410 532215024 /nfs/dbraw/zinc/21/50/24/532215024.db2.gz ZAZBAOZCIGCHOO-UHFFFAOYSA-N 1 0 378.270 2.457 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000132420102 532215104 /nfs/dbraw/zinc/21/51/04/532215104.db2.gz BKWLPYGJXRHAJA-AWEZNQCLSA-N 1 0 376.906 2.178 20 0 GEADRO CCCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1CC[NH2+]C1 ZINC000178890594 532215648 /nfs/dbraw/zinc/21/56/48/532215648.db2.gz PMMZGVWDPJIWHM-ZIAGYGMSSA-N 1 0 394.313 2.403 20 0 GEADRO CCCN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1CC[NH2+]C1 ZINC000178890626 532215732 /nfs/dbraw/zinc/21/57/32/532215732.db2.gz PMMZGVWDPJIWHM-KBPBESRZSA-N 1 0 394.313 2.403 20 0 GEADRO O=C(CC[NH2+]Cc1ccc(Br)o1)N1CCN(c2ccccn2)CC1 ZINC000178901417 532216608 /nfs/dbraw/zinc/21/66/08/532216608.db2.gz WVLDEMYDMSJSTO-UHFFFAOYSA-N 1 0 393.285 2.266 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131638954 532201321 /nfs/dbraw/zinc/20/13/21/532201321.db2.gz BCHMRESXRXRAQA-CQSZACIVSA-N 1 0 389.924 2.270 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178432629 532201812 /nfs/dbraw/zinc/20/18/12/532201812.db2.gz VHPHYPCAWVBXCC-CYBMUJFWSA-N 1 0 385.277 2.311 20 0 GEADRO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 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20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C1 ZINC000132692059 532219723 /nfs/dbraw/zinc/21/97/23/532219723.db2.gz RYKGAOXCKKBVBV-IUODEOHRSA-N 1 0 398.276 2.143 20 0 GEADRO O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132870743 532223131 /nfs/dbraw/zinc/22/31/31/532223131.db2.gz IQSPOABDIJKQRJ-UKRRQHHQSA-N 1 0 375.296 2.140 20 0 GEADRO Cn1c(=O)cc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)n(C)c1=O ZINC000179167233 532223137 /nfs/dbraw/zinc/22/31/37/532223137.db2.gz XIHOZJDUZUNUAT-UHFFFAOYSA-N 1 0 379.913 2.494 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2cccnc2Br)([NH+](C)C)C1 ZINC000179552447 532235711 /nfs/dbraw/zinc/23/57/11/532235711.db2.gz XCUYRQLCEOYVMJ-PXAZEXFGSA-N 1 0 397.317 2.409 20 0 GEADRO C[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ncc(Br)s1 ZINC000179207259 532225478 /nfs/dbraw/zinc/22/54/78/532225478.db2.gz PEKNCBDINIIPPA-GFCCVEGCSA-N 1 0 397.346 2.168 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ncc(Br)s1 ZINC000179220683 532225790 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20 0 GEADRO NC(=O)c1csc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000134175726 532252179 /nfs/dbraw/zinc/25/21/79/532252179.db2.gz BGDLVGNXKFWFJG-NSHDSACASA-N 1 0 385.283 2.139 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn2cc(Br)cnc12 ZINC000179948405 532252162 /nfs/dbraw/zinc/25/21/62/532252162.db2.gz OIHYBNQTAJHHQX-CYBMUJFWSA-N 1 0 380.290 2.342 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cnn(C)c1 ZINC000179556730 532236063 /nfs/dbraw/zinc/23/60/63/532236063.db2.gz RNYYEZRTOMATNM-LLVKDONJSA-N 1 0 377.388 2.443 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000179559634 532236204 /nfs/dbraw/zinc/23/62/04/532236204.db2.gz AICFLUZLODYVCJ-GFCCVEGCSA-N 1 0 397.317 2.409 20 0 GEADRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccnc1Br ZINC000179571123 532236609 /nfs/dbraw/zinc/23/66/09/532236609.db2.gz KZHJHSPWRQXOGZ-RWMBFGLXSA-N 1 0 397.317 2.265 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000133524178 532237330 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GEADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CC1=O ZINC000135606677 532276661 /nfs/dbraw/zinc/27/66/61/532276661.db2.gz QROBIZXCSUJVHY-ZDUSSCGKSA-N 1 0 384.307 2.288 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000180807275 532281339 /nfs/dbraw/zinc/28/13/39/532281339.db2.gz AUOJZLGVRJPRSQ-AWEZNQCLSA-N 1 0 388.555 2.090 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000136344019 532284125 /nfs/dbraw/zinc/28/41/25/532284125.db2.gz XQNQEIIIXBRMNA-LBPRGKRZSA-N 1 0 398.301 2.243 20 0 GEADRO O=C1NC[C@@H]2CN(Cc3ccc(-c4cccc(Cl)c4)s3)CCN2C1=O ZINC000180487772 532272690 /nfs/dbraw/zinc/27/26/90/532272690.db2.gz GKBDHNQRQNXVLA-CQSZACIVSA-N 1 0 375.881 2.211 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2F)CC1 ZINC000140364048 532293586 /nfs/dbraw/zinc/29/35/86/532293586.db2.gz ZBQHPXSQDFABCT-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000140359469 532293843 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Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000150717673 532301267 /nfs/dbraw/zinc/30/12/67/532301267.db2.gz MLOCHYFHPUEPSV-CJTUPEFNSA-N 1 0 380.286 2.186 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000150906818 532304216 /nfs/dbraw/zinc/30/42/16/532304216.db2.gz KPQMUVKZMWDCOO-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO NC(=O)C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000182054313 532308642 /nfs/dbraw/zinc/30/86/42/532308642.db2.gz BTDNFVRSNWRHEH-GOEBONIOSA-N 1 0 382.302 2.389 20 0 GEADRO COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1Cl ZINC000181690121 532305291 /nfs/dbraw/zinc/30/52/91/532305291.db2.gz XFLPSPBFUOGCBF-VXGBXAGGSA-N 1 0 376.906 2.432 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C12CCC2 ZINC000181741533 532306254 /nfs/dbraw/zinc/30/62/54/532306254.db2.gz IOXONYMLACAPSS-ZIAGYGMSSA-N 1 0 384.464 2.485 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000151058969 532306381 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CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccc(Br)s1 ZINC000182376338 532312263 /nfs/dbraw/zinc/31/22/63/532312263.db2.gz ZXXUKJQGJHZDGZ-UHFFFAOYSA-N 1 0 389.363 2.290 20 0 GEADRO Cc1cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cnc1Br ZINC000182427250 532313327 /nfs/dbraw/zinc/31/33/27/532313327.db2.gz WYMZLIUBDHUNDG-UHFFFAOYSA-N 1 0 383.290 2.481 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1cccc(Br)c1 ZINC000182581931 532314966 /nfs/dbraw/zinc/31/49/66/532314966.db2.gz VDLMWISMQYYZBL-NEPJUHHUSA-N 1 0 382.302 2.212 20 0 GEADRO CC[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000183007278 532320520 /nfs/dbraw/zinc/32/05/20/532320520.db2.gz MIMCAYSZNJVLKX-RHSMWYFYSA-N 1 0 384.523 2.014 20 0 GEADRO CC[C@H]([NH2+][C@H](C)C(=O)NCc1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000183015817 532321298 /nfs/dbraw/zinc/32/12/98/532321298.db2.gz IXDADKMRMRFDRB-WBMJQRKESA-N 1 0 381.523 2.141 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1=O ZINC000183199640 532322166 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C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000185346372 532337609 /nfs/dbraw/zinc/33/76/09/532337609.db2.gz YKBJHZYOXADQIC-ZDUSSCGKSA-N 1 0 379.448 2.010 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)NCC(=O)OC ZINC000185930089 532339190 /nfs/dbraw/zinc/33/91/90/532339190.db2.gz ZYIFOUAZFGVIMU-AWEZNQCLSA-N 1 0 385.302 2.381 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)cc2c1OCC2)C1CC1 ZINC000185948880 532339232 /nfs/dbraw/zinc/33/92/32/532339232.db2.gz MGTAYFJHIMCXCX-UHFFFAOYSA-N 1 0 389.315 2.147 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186029554 532339584 /nfs/dbraw/zinc/33/95/84/532339584.db2.gz PVIVIAMEBYJKBU-JQHSSLGASA-N 1 0 387.567 2.493 20 0 GEADRO CN(C)[C@H](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1cccs1 ZINC000186056711 532339704 /nfs/dbraw/zinc/33/97/04/532339704.db2.gz PPOSCVJBNSOGRL-LLVKDONJSA-N 1 0 382.433 2.088 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000186591590 532341341 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20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183614956 532326594 /nfs/dbraw/zinc/32/65/94/532326594.db2.gz CLFLOKXDMIWHGC-NSHDSACASA-N 1 0 396.285 2.194 20 0 GEADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000183764207 532328878 /nfs/dbraw/zinc/32/88/78/532328878.db2.gz PTOLHWYCXAZFTA-UHFFFAOYSA-N 1 0 390.347 2.384 20 0 GEADRO CCc1noc(C2CCC([NH2+]CCNS(=O)(=O)c3cccs3)CC2)n1 ZINC000183914492 532329920 /nfs/dbraw/zinc/32/99/20/532329920.db2.gz BNFJYAAREJAOCE-UHFFFAOYSA-N 1 0 384.527 2.288 20 0 GEADRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@@H](C)C1 ZINC000183892338 532330088 /nfs/dbraw/zinc/33/00/88/532330088.db2.gz LBOLFTYWBJVVPU-HZMBPMFUSA-N 1 0 396.285 2.239 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)CCc1cc(Cl)ccc1Br ZINC000183941821 532330316 /nfs/dbraw/zinc/33/03/16/532330316.db2.gz WJOCLJUMJWNQBT-UHFFFAOYSA-N 1 0 377.710 2.466 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)CCSc1ccc(Br)cc1 ZINC000183970561 532330410 /nfs/dbraw/zinc/33/04/10/532330410.db2.gz RKRMAZWXZFXLSP-UHFFFAOYSA-N 1 0 375.332 2.362 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1=O ZINC000183991887 532330511 /nfs/dbraw/zinc/33/05/11/532330511.db2.gz UKWCEMCSEZTYPV-SNVBAGLBSA-N 1 0 375.803 2.290 20 0 GEADRO O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000184514859 532333196 /nfs/dbraw/zinc/33/31/96/532333196.db2.gz CXKGVCKVCDDVCP-ZDUSSCGKSA-N 1 0 380.436 2.084 20 0 GEADRO Cc1cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cnc1Br ZINC000184622853 532333717 /nfs/dbraw/zinc/33/37/17/532333717.db2.gz GIJRBWPERRUFNK-CYBMUJFWSA-N 1 0 384.322 2.300 20 0 GEADRO CC(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000184919723 532335836 /nfs/dbraw/zinc/33/58/36/532335836.db2.gz XDENZBVDGYIXIY-KRWDZBQOSA-N 1 0 394.313 2.463 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000187864376 532345849 /nfs/dbraw/zinc/34/58/49/532345849.db2.gz VKJYNLUTAXYTRW-SNVBAGLBSA-N 1 0 384.304 2.047 20 0 GEADRO CSC[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000187901817 532345972 /nfs/dbraw/zinc/34/59/72/532345972.db2.gz SGKINQVGZYEYAU-ZDUSSCGKSA-N 1 0 377.323 2.430 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)NCCCC[N@H+]1CCC[C@H]1CO ZINC000188254919 532347634 /nfs/dbraw/zinc/34/76/34/532347634.db2.gz WYYUSTFCMKCXLG-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO COc1ccc([C@H](C)NC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1Br ZINC000188269551 532347705 /nfs/dbraw/zinc/34/77/05/532347705.db2.gz IDFNJKRJHKVKBL-VIFPVBQESA-N 1 0 379.258 2.318 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Br)cc2N)CC1 ZINC000188397908 532348039 /nfs/dbraw/zinc/34/80/39/532348039.db2.gz UIVWJQBAYVIQKQ-ZDUSSCGKSA-N 1 0 383.334 2.035 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000188460345 532348238 /nfs/dbraw/zinc/34/82/38/532348238.db2.gz VXKDEPCUCXNRMC-OAHLLOKOSA-N 1 0 391.269 2.032 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1Br ZINC000188638449 532348927 /nfs/dbraw/zinc/34/89/27/532348927.db2.gz ZDHFZKPGOBRUPH-NSHDSACASA-N 1 0 387.322 2.213 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N3CCC[C@@H]([NH3+])C3)CC2=O)ccc1Br ZINC000191350159 532360623 /nfs/dbraw/zinc/36/06/23/532360623.db2.gz NAZKYVXRCDBUNN-QWHCGFSZSA-N 1 0 380.286 2.060 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2cc(F)ccc2Br)[C@H](C)C1 ZINC000188690768 532349268 /nfs/dbraw/zinc/34/92/68/532349268.db2.gz KYQMOWATJMJRSM-CHWSQXEVSA-N 1 0 387.293 2.434 20 0 GEADRO CSC[C@H](CCO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188743699 532349331 /nfs/dbraw/zinc/34/93/31/532349331.db2.gz XOQPOCPPDUSJQW-HNNXBMFYSA-N 1 0 389.359 2.489 20 0 GEADRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188741419 532349394 /nfs/dbraw/zinc/34/93/94/532349394.db2.gz JONVXRAZFCANKR-CZUORRHYSA-N 1 0 396.329 2.419 20 0 GEADRO COc1cc(Br)ccc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188754443 532349580 /nfs/dbraw/zinc/34/95/80/532349580.db2.gz ZSVYCHGMQYIUBB-GFCCVEGCSA-N 1 0 385.302 2.375 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000188777793 532349598 /nfs/dbraw/zinc/34/95/98/532349598.db2.gz YMORVDDKASYUKD-UHFFFAOYSA-N 1 0 386.290 2.209 20 0 GEADRO Cc1c(Br)cccc1CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000188937646 532350426 /nfs/dbraw/zinc/35/04/26/532350426.db2.gz ZFVAONSBLRBLOV-UHFFFAOYSA-N 1 0 382.346 2.442 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)Nc1ccccc1Br ZINC000189406532 532352034 /nfs/dbraw/zinc/35/20/34/532352034.db2.gz DYAITDLNTCFTCQ-CYBMUJFWSA-N 1 0 384.318 2.165 20 0 GEADRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000189399499 532352090 /nfs/dbraw/zinc/35/20/90/532352090.db2.gz ZAHAZYCEIVJRHZ-GHMZBOCLSA-N 1 0 378.441 2.209 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000189412258 532352165 /nfs/dbraw/zinc/35/21/65/532352165.db2.gz RAGXCQZAAHCTNW-LLVKDONJSA-N 1 0 399.289 2.369 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1Br ZINC000189705410 532353222 /nfs/dbraw/zinc/35/32/22/532353222.db2.gz RPOVRNNAECKYHH-UHFFFAOYSA-N 1 0 398.301 2.043 20 0 GEADRO CCCOc1ccc(Br)cc1C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000189710680 532353328 /nfs/dbraw/zinc/35/33/28/532353328.db2.gz UOYMGZJSSPSRQP-UHFFFAOYSA-N 1 0 391.331 2.219 20 0 GEADRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1nnnn1C ZINC000189812349 532353867 /nfs/dbraw/zinc/35/38/67/532353867.db2.gz YIMKVWJOCJKUMK-GFCCVEGCSA-N 1 0 380.290 2.372 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)cc1 ZINC000189836837 532353871 /nfs/dbraw/zinc/35/38/71/532353871.db2.gz FSJBLQANTGBAFJ-JTQLQIEISA-N 1 0 390.374 2.460 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000189952656 532354188 /nfs/dbraw/zinc/35/41/88/532354188.db2.gz BKNWQRYIHNRFCI-LLVKDONJSA-N 1 0 386.265 2.293 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190030810 532354575 /nfs/dbraw/zinc/35/45/75/532354575.db2.gz DHOJEZGMDRIADC-OAHLLOKOSA-N 1 0 380.286 2.474 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000190057046 532354670 /nfs/dbraw/zinc/35/46/70/532354670.db2.gz RQYCDSGUABJHRD-CQSZACIVSA-N 1 0 386.539 2.482 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCN(C2CCCCC2)CC1 ZINC000190290718 532355398 /nfs/dbraw/zinc/35/53/98/532355398.db2.gz RPKIIFAKCKFKSS-UHFFFAOYSA-N 1 0 386.539 2.482 20 0 GEADRO NCC(F)(F)CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000190279839 532355420 /nfs/dbraw/zinc/35/54/20/532355420.db2.gz RWRSKOQGSJNKOW-UHFFFAOYSA-N 1 0 380.844 2.137 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000190350671 532355700 /nfs/dbraw/zinc/35/57/00/532355700.db2.gz RZLKQRZESARDLQ-AWEZNQCLSA-N 1 0 382.346 2.442 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000190354714 532355737 /nfs/dbraw/zinc/35/57/37/532355737.db2.gz VNQCAXQNKPHAHE-LSDHHAIUSA-N 1 0 380.286 2.473 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)[C@H](C)N1CCOCC1 ZINC000190455252 532356188 /nfs/dbraw/zinc/35/61/88/532356188.db2.gz LEOGAJOOPUWANB-UWVGGRQHSA-N 1 0 392.258 2.296 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000190695293 532357514 /nfs/dbraw/zinc/35/75/14/532357514.db2.gz CHFOASIFDQTJPV-UHFFFAOYSA-N 1 0 383.290 2.117 20 0 GEADRO C[C@@H](O)C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H](C)CO ZINC000190836854 532358295 /nfs/dbraw/zinc/35/82/95/532358295.db2.gz JPEIXLMQOVRQEU-QWHCGFSZSA-N 1 0 380.286 2.470 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)N1CC[NH+](C)CC1 ZINC000190873907 532358384 /nfs/dbraw/zinc/35/83/84/532358384.db2.gz JUYSQUOEYILDTI-KRWDZBQOSA-N 1 0 391.940 2.171 20 0 GEADRO C[C@H](C(=O)NC(C)(C)C)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304746 532360309 /nfs/dbraw/zinc/36/03/09/532360309.db2.gz TXMGGNFWRDAYPI-SNVBAGLBSA-N 1 0 379.452 2.372 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000187397819 532344319 /nfs/dbraw/zinc/34/43/19/532344319.db2.gz IBDNCTDZNURQIB-GFCCVEGCSA-N 1 0 387.311 2.074 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000187714652 532345215 /nfs/dbraw/zinc/34/52/15/532345215.db2.gz NFHSLHJBPGDPFW-UHFFFAOYSA-N 1 0 375.803 2.433 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3cc(Br)ccc3F)CC2)C1 ZINC000372107459 532372075 /nfs/dbraw/zinc/37/20/75/532372075.db2.gz JGLGDAMYZQCVMQ-MRXNPFEDSA-N 1 0 398.320 2.369 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000278049869 532372098 /nfs/dbraw/zinc/37/20/98/532372098.db2.gz JCUNGRRKJQNGSK-LLVKDONJSA-N 1 0 391.269 2.004 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2cc3c(cc2Br)OCO3)CCSC1 ZINC000621900720 532372185 /nfs/dbraw/zinc/37/21/85/532372185.db2.gz FUAIUDGSZIKWGC-OAHLLOKOSA-N 1 0 387.299 2.345 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000647254385 532372174 /nfs/dbraw/zinc/37/21/74/532372174.db2.gz JDIIJKCDDBKQFG-GFCCVEGCSA-N 1 0 376.906 2.256 20 0 GEADRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000647240424 532372425 /nfs/dbraw/zinc/37/24/25/532372425.db2.gz OWIOPJJFZCZQDK-AWEZNQCLSA-N 1 0 379.320 2.127 20 0 GEADRO CC[N@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000463436387 532373539 /nfs/dbraw/zinc/37/35/39/532373539.db2.gz NOQXZUAPZTZCDG-HNNXBMFYSA-N 1 0 385.302 2.397 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2OC)CC[C@@H]1[NH3+] ZINC000647268877 532373715 /nfs/dbraw/zinc/37/37/15/532373715.db2.gz JDQOSLOLELBCCT-CABZTGNLSA-N 1 0 395.294 2.345 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3Br)[C@@H]2C1 ZINC000425205152 532373756 /nfs/dbraw/zinc/37/37/56/532373756.db2.gz BHHDPKWXWIYKSB-GXFFZTMASA-N 1 0 377.279 2.303 20 0 GEADRO O=S(=O)(CC[NH2+]CC1(CO)CCCC1)c1cccc(Br)c1 ZINC000647528829 532374336 /nfs/dbraw/zinc/37/43/36/532374336.db2.gz JCJHDYCKUJWWAI-UHFFFAOYSA-N 1 0 376.316 2.365 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](O)COc1ccccc1Br)COc1ccccc1 ZINC000647529564 532375658 /nfs/dbraw/zinc/37/56/58/532375658.db2.gz VETFDEPIPYWUNT-HUUCEWRRSA-N 1 0 396.281 2.218 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000191969632 532376711 /nfs/dbraw/zinc/37/67/11/532376711.db2.gz ABLXILPJJCKAHU-SNVBAGLBSA-N 1 0 386.265 2.434 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](COC)C1 ZINC000294720346 532376876 /nfs/dbraw/zinc/37/68/76/532376876.db2.gz GCMPXOZIJUITOJ-STQMWFEESA-N 1 0 385.302 2.431 20 0 GEADRO O=S(=O)(CCOCC1CC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000425223028 532376866 /nfs/dbraw/zinc/37/68/66/532376866.db2.gz YFWDFAMYWPFNCS-UHFFFAOYSA-N 1 0 376.588 2.084 20 0 GEADRO COc1cc2[nH+]ccc(N[C@@H]3CCCS(=O)(=O)C3)c2cc1Br ZINC000425222735 532376972 /nfs/dbraw/zinc/37/69/72/532376972.db2.gz BAHSAKXSJNKRAT-SNVBAGLBSA-N 1 0 385.283 2.417 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(I)c1 ZINC000590566092 532378111 /nfs/dbraw/zinc/37/81/11/532378111.db2.gz BOLNMUBRZNCNAW-IINYFYTJSA-N 1 0 388.249 2.464 20 0 GEADRO C[C@H]1COCCN1CCN(CCO)Cc1cc(Br)ccc1F ZINC000191478252 532361186 /nfs/dbraw/zinc/36/11/86/532361186.db2.gz QZLKTHGSAGSZOQ-ZDUSSCGKSA-N 1 0 375.282 2.103 20 0 GEADRO Cc1ccc(Br)nc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000191634865 532361725 /nfs/dbraw/zinc/36/17/25/532361725.db2.gz DGBUJHWPDBQLOY-UHFFFAOYSA-N 1 0 383.334 2.156 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@@H]1[NH3+] ZINC000647008370 532363237 /nfs/dbraw/zinc/36/32/37/532363237.db2.gz NNFFQEOKNYQOGT-WQVCFCJDSA-N 1 0 394.313 2.388 20 0 GEADRO CC1([NH3+])CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000646994975 532363692 /nfs/dbraw/zinc/36/36/92/532363692.db2.gz BUJDHHSMOQSCAV-LBPRGKRZSA-N 1 0 380.286 2.142 20 0 GEADRO CCCN(C(=O)C(=O)NCc1cc(Br)cs1)[C@@H]1CC[N@H+](C)C1 ZINC000646994527 532363902 /nfs/dbraw/zinc/36/39/02/532363902.db2.gz LQQMXUALCBLGLL-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO CC[C@@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000647010650 532363961 /nfs/dbraw/zinc/36/39/61/532363961.db2.gz UUZUGMWKBZVQBU-MNOVXSKESA-N 1 0 388.331 2.168 20 0 GEADRO O=C(COC1CC[NH2+]CC1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621671272 532364830 /nfs/dbraw/zinc/36/48/30/532364830.db2.gz MPIRBPFRDVCMOJ-UHFFFAOYSA-N 1 0 377.229 2.426 20 0 GEADRO COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425096177 532364857 /nfs/dbraw/zinc/36/48/57/532364857.db2.gz DEMOZPZCNDGTER-QWHCGFSZSA-N 1 0 398.301 2.195 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000463061664 532365255 /nfs/dbraw/zinc/36/52/55/532365255.db2.gz QRXWLFZDCZGPFH-MFKMUULPSA-N 1 0 379.258 2.427 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(CC(=O)NCc2ccccc2Br)no1 ZINC000463047625 532365401 /nfs/dbraw/zinc/36/54/01/532365401.db2.gz GCUWRQOLKFXSPL-AAEUAGOBSA-N 1 0 393.285 2.356 20 0 GEADRO C[C@H](COCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000371971742 532365564 /nfs/dbraw/zinc/36/55/64/532365564.db2.gz AERKDRAWZIOFKH-LLVKDONJSA-N 1 0 386.461 2.458 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1ccnn1C ZINC000425099277 532365869 /nfs/dbraw/zinc/36/58/69/532365869.db2.gz ORMSXJWSJBWLSS-UHFFFAOYSA-N 1 0 380.290 2.433 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000191786535 532366179 /nfs/dbraw/zinc/36/61/79/532366179.db2.gz NPMQYGJPSMFJLR-ZDUSSCGKSA-N 1 0 380.495 2.262 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNc1ncc(Br)c(OC(C)(C)C)n1 ZINC000557565124 532367318 /nfs/dbraw/zinc/36/73/18/532367318.db2.gz UHSJWFQTCMIXLF-LBPRGKRZSA-N 1 0 387.322 2.939 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C[C@@H]1C ZINC000677183955 532367399 /nfs/dbraw/zinc/36/73/99/532367399.db2.gz VNOJXZCCJHCODC-UONOGXRCSA-N 1 0 394.313 2.355 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc3c(cc2Br)OCO3)cn1 ZINC000621790078 532367483 /nfs/dbraw/zinc/36/74/83/532367483.db2.gz OIMPNKXBRVWZOM-UHFFFAOYSA-N 1 0 381.230 2.188 20 0 GEADRO COC(=O)c1cn([C@H]2CCCN(Cc3cc(O)ccc3Br)C2)nn1 ZINC000372035094 532367767 /nfs/dbraw/zinc/36/77/67/532367767.db2.gz AYPCIVNDHRFLFJ-LBPRGKRZSA-N 1 0 395.257 2.370 20 0 GEADRO O=C1COc2cc(Br)ccc2N1CCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000647151498 532369707 /nfs/dbraw/zinc/36/97/07/532369707.db2.gz IAVRGYQXSNUYRN-LLVKDONJSA-N 1 0 393.241 2.225 20 0 GEADRO Cn1cc(Br)cc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000590418494 532371516 /nfs/dbraw/zinc/37/15/16/532371516.db2.gz IDNUBZVLVPDYHL-UHFFFAOYSA-N 1 0 393.285 2.331 20 0 GEADRO C[C@H]1CN(C(=O)NCc2cc(Br)cc3c2OCC3)C[C@H]1[NH+](C)C ZINC000463253292 532371504 /nfs/dbraw/zinc/37/15/04/532371504.db2.gz CUKCCHWSWZWCAI-XHDPSFHLSA-N 1 0 382.302 2.476 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2cc3c(cc2Br)OCO3)CCSC1 ZINC000621900719 532371787 /nfs/dbraw/zinc/37/17/87/532371787.db2.gz FUAIUDGSZIKWGC-HNNXBMFYSA-N 1 0 387.299 2.345 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(Br)c[nH]c2=O)C1 ZINC000621896758 532371930 /nfs/dbraw/zinc/37/19/30/532371930.db2.gz FTEKTUORVNXNBG-ZDUSSCGKSA-N 1 0 386.290 2.123 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)CCO1 ZINC000647235326 532371943 /nfs/dbraw/zinc/37/19/43/532371943.db2.gz WTERLAGSGNBVRX-RISCZKNCSA-N 1 0 399.310 2.339 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192031715 532379095 /nfs/dbraw/zinc/37/90/95/532379095.db2.gz BYAYUAYNELGYDT-UHFFFAOYSA-N 1 0 376.682 2.499 20 0 GEADRO O=S(=O)(NC1CC[NH+](Cc2cccs2)CC1)c1cnn(CC(F)F)c1 ZINC000372262085 532379987 /nfs/dbraw/zinc/37/99/87/532379987.db2.gz PQJLTYSOIYLLDC-UHFFFAOYSA-N 1 0 390.481 2.153 20 0 GEADRO CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000558028518 532380137 /nfs/dbraw/zinc/38/01/37/532380137.db2.gz ADIUDBIPXUWKJS-OAHLLOKOSA-N 1 0 387.571 2.139 20 0 GEADRO CCN(CC[NH+]1CCCCCC1)C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000558028516 532380616 /nfs/dbraw/zinc/38/06/16/532380616.db2.gz ADIUDBIPXUWKJS-HNNXBMFYSA-N 1 0 387.571 2.139 20 0 GEADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H](C)C1 ZINC000558027779 532380732 /nfs/dbraw/zinc/38/07/32/532380732.db2.gz UGTHBZYCBQUKIL-COPLHBTASA-N 1 0 387.265 2.422 20 0 GEADRO CC(C)N1CC[NH+](C2CCN(C(=O)c3cc(Br)c[nH]3)CC2)CC1 ZINC000677711684 532381564 /nfs/dbraw/zinc/38/15/64/532381564.db2.gz AKFSTLHOVYSDBW-UHFFFAOYSA-N 1 0 383.334 2.408 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)NCC1CC[NH+](C2CC2)CC1 ZINC000278497668 532381744 /nfs/dbraw/zinc/38/17/44/532381744.db2.gz HPQQWCTXNSAYGY-UHFFFAOYSA-N 1 0 377.539 2.286 20 0 GEADRO CN(CCc1cccc(Br)c1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000463745674 532382429 /nfs/dbraw/zinc/38/24/29/532382429.db2.gz NHKIBXUNQFZAPQ-UHFFFAOYSA-N 1 0 394.317 2.914 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000295009765 532395586 /nfs/dbraw/zinc/39/55/86/532395586.db2.gz ZGHLYGPFMOVZFL-ZIAGYGMSSA-N 1 0 398.345 2.346 20 0 GEADRO CSC1(CNC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC[NH+](C)CC1 ZINC000463824991 532383648 /nfs/dbraw/zinc/38/36/48/532383648.db2.gz DFVSNKDLINPQHH-UHFFFAOYSA-N 1 0 396.460 2.044 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC)C(C)C ZINC000558083765 532384015 /nfs/dbraw/zinc/38/40/15/532384015.db2.gz QQNIFVVBFNDKPY-UHFFFAOYSA-N 1 0 391.921 2.316 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000463815098 532384074 /nfs/dbraw/zinc/38/40/74/532384074.db2.gz PZDLISQBIGIVBM-SECBINFHSA-N 1 0 386.237 2.238 20 0 GEADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000516286477 532384298 /nfs/dbraw/zinc/38/42/98/532384298.db2.gz SRJFZXKLNSYVLL-JIMOISOXSA-N 1 0 395.257 2.053 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC(C)(C)CO ZINC000294797178 532384744 /nfs/dbraw/zinc/38/47/44/532384744.db2.gz MOYHCFAUWNAOOV-GFCCVEGCSA-N 1 0 387.318 2.461 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000425413170 532385717 /nfs/dbraw/zinc/38/57/17/532385717.db2.gz BBFREPNEUSAWFO-RHSMWYFYSA-N 1 0 383.583 2.447 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Br)c(F)cc1F ZINC000192091936 532386254 /nfs/dbraw/zinc/38/62/54/532386254.db2.gz HCQBZMNJZARBGZ-UHFFFAOYSA-N 1 0 390.272 2.437 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H]1CCSC1)COc1ccc(I)cc1 ZINC000278540434 532386329 /nfs/dbraw/zinc/38/63/29/532386329.db2.gz TVKFVYZPBKBIDN-AAEUAGOBSA-N 1 0 393.290 2.374 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CCC(C)([NH3+])CC1)c1ccc(Br)cc1 ZINC000648120976 532386712 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O=C(c1cccnc1-n1cc(Br)cn1)N1CC[NH+](C2CCC2)CC1 ZINC000294898782 532389764 /nfs/dbraw/zinc/38/97/64/532389764.db2.gz GXVAIXZCBGHBBJ-UHFFFAOYSA-N 1 0 390.285 2.340 20 0 GEADRO O=C(NCc1csc(Br)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000590857773 532390060 /nfs/dbraw/zinc/39/00/60/532390060.db2.gz FMLDXYMCRHYENC-STQMWFEESA-N 1 0 388.331 2.251 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Br ZINC000372415850 532390165 /nfs/dbraw/zinc/39/01/65/532390165.db2.gz IHHUKKRTJBWDQX-KCPJHIHWSA-N 1 0 398.301 2.182 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)CC1 ZINC000425726899 532390824 /nfs/dbraw/zinc/39/08/24/532390824.db2.gz PUGQBLNFRRSDSC-UHFFFAOYSA-N 1 0 375.803 2.480 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000678296948 532391236 /nfs/dbraw/zinc/39/12/36/532391236.db2.gz GCJWKZRSEHQTSQ-IYBDPMFKSA-N 1 0 380.286 2.179 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000516768478 532391333 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Fc1cccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1Br ZINC000648452160 532398195 /nfs/dbraw/zinc/39/81/95/532398195.db2.gz JKKFQDKLAROWTJ-OAHLLOKOSA-N 1 0 386.309 2.084 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ccc1Br ZINC000425808364 532398387 /nfs/dbraw/zinc/39/83/87/532398387.db2.gz HDOSSGQXCWRRFT-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(C)C1 ZINC000648432486 532396878 /nfs/dbraw/zinc/39/68/78/532396878.db2.gz NQHKTBIPRYAUQP-IUODEOHRSA-N 1 0 384.318 2.146 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cnc(C)s2)c1 ZINC000678583889 532397025 /nfs/dbraw/zinc/39/70/25/532397025.db2.gz CZBBOVXVEFIMJH-QWRGUYRKSA-N 1 0 382.511 2.037 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC000678601791 532399798 /nfs/dbraw/zinc/39/97/98/532399798.db2.gz RBIKTXMJHZBGMD-DVOMOZLQSA-N 1 0 384.318 2.475 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccc(Br)cc1 ZINC000559385920 532401187 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Cc1ccc(Br)c(C)c1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000559450339 532403765 /nfs/dbraw/zinc/40/37/65/532403765.db2.gz OGMWJYKORJJAFM-AWEZNQCLSA-N 1 0 396.329 2.383 20 0 GEADRO C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@H]1CCN2CCO[C@H]1C2 ZINC000295103156 532403891 /nfs/dbraw/zinc/40/38/91/532403891.db2.gz KQNUYIYFTAWAHT-HOCLYGCPSA-N 1 0 383.286 2.125 20 0 GEADRO C[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000192535200 532404147 /nfs/dbraw/zinc/40/41/47/532404147.db2.gz WMPLSZCXCOYKBC-OSAQELSMSA-N 1 0 391.249 2.046 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1F ZINC000192533132 532404207 /nfs/dbraw/zinc/40/42/07/532404207.db2.gz GJJPKPHQAUTDNP-UHFFFAOYSA-N 1 0 386.265 2.437 20 0 GEADRO CC[NH2+]CCCNC(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC000591287556 532404304 /nfs/dbraw/zinc/40/43/04/532404304.db2.gz XZFKNEXHFXJIKE-UHFFFAOYSA-N 1 0 376.226 2.496 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000517080886 532404377 /nfs/dbraw/zinc/40/43/77/532404377.db2.gz 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GEADRO [NH3+]C/C=C\CNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000591351968 532410417 /nfs/dbraw/zinc/41/04/17/532410417.db2.gz MNZKTBALPUJBNK-UPHRSURJSA-N 1 0 388.331 2.375 20 0 GEADRO COCC[N@H+](C)CCCN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280251850 532411178 /nfs/dbraw/zinc/41/11/78/532411178.db2.gz WRKLNUUOLNIDGU-LLVKDONJSA-N 1 0 398.356 2.260 20 0 GEADRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(C)C ZINC000591413703 532411286 /nfs/dbraw/zinc/41/12/86/532411286.db2.gz WUEXBUOQMFROJZ-MRXNPFEDSA-N 1 0 376.906 2.445 20 0 GEADRO CN(C)c1cc[nH+]c(NC(=O)CNC(=O)c2cccc(Br)c2)c1 ZINC000680254509 532411542 /nfs/dbraw/zinc/41/15/42/532411542.db2.gz YOONVMHBQATFDT-UHFFFAOYSA-N 1 0 377.242 2.279 20 0 GEADRO COCC[N@@H+]1CC[C@@H](N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000280254258 532411862 /nfs/dbraw/zinc/41/18/62/532411862.db2.gz WUUUNCBAYYUZEX-WDEREUQCSA-N 1 0 396.340 2.012 20 0 GEADRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CS1 ZINC000517271457 532411934 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O=C(NCC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)OCC(F)(F)F ZINC000282207925 532447697 /nfs/dbraw/zinc/44/76/97/532447697.db2.gz ADNDDFFHKVLQBU-GFCCVEGCSA-N 1 0 379.766 2.101 20 0 GEADRO O=C(N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)C1(Cc2ccccc2Br)CC1 ZINC000627266739 532448410 /nfs/dbraw/zinc/44/84/10/532448410.db2.gz FHZCQTOORWYYRH-HOTGVXAUSA-N 1 0 393.325 2.439 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000592313922 532448505 /nfs/dbraw/zinc/44/85/05/532448505.db2.gz XMOBUHAPJVIPMH-CYBMUJFWSA-N 1 0 385.295 2.411 20 0 GEADRO O=C(CCc1cccc(F)c1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269049 532448625 /nfs/dbraw/zinc/44/86/25/532448625.db2.gz LYZPWYCQDBGKCC-KGLIPLIRSA-N 1 0 385.277 2.188 20 0 GEADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627270967 532448820 /nfs/dbraw/zinc/44/88/20/532448820.db2.gz ORVYUAFKUSRLJL-HLLBOEOZSA-N 1 0 379.298 2.146 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1 ZINC000561715083 532449026 /nfs/dbraw/zinc/44/90/26/532449026.db2.gz QIFSVCWSHYGDLN-UHFFFAOYSA-N 1 0 387.571 2.383 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)C[C@H]1c1ccc(Br)cc1 ZINC000592283274 532445904 /nfs/dbraw/zinc/44/59/04/532445904.db2.gz QXZSDLWRSXDPPX-UHOFOFEASA-N 1 0 395.297 2.164 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2cccc(Cl)c2)c1 ZINC000592291005 532446227 /nfs/dbraw/zinc/44/62/27/532446227.db2.gz KLFJYHIDZABWMQ-LBPRGKRZSA-N 1 0 381.885 2.365 20 0 GEADRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)CCOCC1 ZINC000592376042 532451944 /nfs/dbraw/zinc/45/19/44/532451944.db2.gz XGBMDHXJBZRTTR-UHFFFAOYSA-N 1 0 389.539 2.380 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000519013837 532452457 /nfs/dbraw/zinc/45/24/57/532452457.db2.gz HZMTVBPVMQUWSA-CYBMUJFWSA-N 1 0 396.329 2.315 20 0 GEADRO COc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000373459775 532450603 /nfs/dbraw/zinc/45/06/03/532450603.db2.gz GXXSHQOBZHUSEB-YVEFUNNKSA-N 1 0 396.285 2.268 20 0 GEADRO O=C(c1cc(Cl)sc1Cl)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428636393 532456959 /nfs/dbraw/zinc/45/69/59/532456959.db2.gz JXXLMHFJAPKJNU-SNVBAGLBSA-N 1 0 376.309 2.339 20 0 GEADRO [NH3+]CCc1nc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cs1 ZINC000194789859 532457037 /nfs/dbraw/zinc/45/70/37/532457037.db2.gz MAZCNBMRBDATEU-VIFPVBQESA-N 1 0 390.292 2.121 20 0 GEADRO O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428625868 532457027 /nfs/dbraw/zinc/45/70/27/532457027.db2.gz VSZDVCOCPGJZNN-CYBMUJFWSA-N 1 0 384.307 2.206 20 0 GEADRO Cc1ccc(C(=O)NC2CCN(C(=O)c3csc(CC[NH3+])n3)CC2)s1 ZINC000194793349 532457277 /nfs/dbraw/zinc/45/72/77/532457277.db2.gz CQRCYXYWTKNWFV-UHFFFAOYSA-N 1 0 378.523 2.049 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000627825727 532457207 /nfs/dbraw/zinc/45/72/07/532457207.db2.gz FAPAOGMSWYVNST-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO O=S1(=O)CCCN1C1CCC([NH2+][C@@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000373545223 532457538 /nfs/dbraw/zinc/45/75/38/532457538.db2.gz FEHBVOSHCPUNKE-XUJLQICISA-N 1 0 380.539 2.497 20 0 GEADRO COc1cc(I)c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000592568547 532454091 /nfs/dbraw/zinc/45/40/91/532454091.db2.gz WPYCUPFCAAMQQI-RKDXNWHRSA-N 1 0 392.237 2.164 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCc1ccsc1Br ZINC000282291448 532454336 /nfs/dbraw/zinc/45/43/36/532454336.db2.gz CBKOFGYBLZNFCE-UHFFFAOYSA-N 1 0 376.320 2.422 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)COc2cccc(I)c2)C1 ZINC000194607675 532454416 /nfs/dbraw/zinc/45/44/16/532454416.db2.gz XRPXYWQAWCVVCK-GFCCVEGCSA-N 1 0 388.249 2.080 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ncc(Br)cc1F ZINC000373528972 532455413 /nfs/dbraw/zinc/45/54/13/532455413.db2.gz KFHYDCDERHGJBT-XQJJYNOISA-N 1 0 399.264 2.354 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)CC[N@@H+]1C ZINC000428631927 532456026 /nfs/dbraw/zinc/45/60/26/532456026.db2.gz YZVPPBLHFHVELG-IJEWVQPXSA-N 1 0 398.345 2.382 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000194769178 532456124 /nfs/dbraw/zinc/45/61/24/532456124.db2.gz NUBRBDDJOKXMAF-NSHDSACASA-N 1 0 394.324 2.002 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000519155859 532458018 /nfs/dbraw/zinc/45/80/18/532458018.db2.gz UEQSTACGVMUUSY-HNNXBMFYSA-N 1 0 389.315 2.222 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ncc(Br)s2)C1 ZINC000683410041 532458853 /nfs/dbraw/zinc/45/88/53/532458853.db2.gz HOYCLFBBVVHUDH-NSHDSACASA-N 1 0 376.320 2.479 20 0 GEADRO COc1ccc(Br)c(CN(C)c2cc(-n3cccn3)nc(N)[nH+]2)c1 ZINC000428695131 532459210 /nfs/dbraw/zinc/45/92/10/532459210.db2.gz UXOVCNSPZMLQDP-UHFFFAOYSA-N 1 0 389.257 2.652 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)ncc1Cl ZINC000295563014 532459585 /nfs/dbraw/zinc/45/95/85/532459585.db2.gz UMWWYCOVWDQVKS-SNVBAGLBSA-N 1 0 376.682 2.074 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000428760913 532460836 /nfs/dbraw/zinc/46/08/36/532460836.db2.gz UDURMBCXVVUJBI-INIZCTEOSA-N 1 0 398.345 2.385 20 0 GEADRO [NH3+]C1CCN(C(=O)CCC(=O)c2ccc(I)cc2)CC1 ZINC000428743340 532461044 /nfs/dbraw/zinc/46/10/44/532461044.db2.gz JYBODTZHTYCGCW-UHFFFAOYSA-N 1 0 386.233 2.204 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3Cl)C[C@H]2C1 ZINC000194924518 532462677 /nfs/dbraw/zinc/46/26/77/532462677.db2.gz MKLUHMRGBWVJTF-AOOOYVTPSA-N 1 0 386.677 2.061 20 0 GEADRO CC[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000282397330 532464024 /nfs/dbraw/zinc/46/40/24/532464024.db2.gz RKRNJJXFAIAZJG-DMZKTXOQSA-N 1 0 378.947 2.200 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc(-c3ccc(Cl)s3)nn2)C1 ZINC000651304863 532464262 /nfs/dbraw/zinc/46/42/62/532464262.db2.gz QAJSJFSPQSMGTR-GFCCVEGCSA-N 1 0 379.917 2.858 20 0 GEADRO C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000468422622 532464537 /nfs/dbraw/zinc/46/45/37/532464537.db2.gz ARWORKWEEMKOOG-UHFFFAOYSA-N 1 0 381.523 2.213 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)C1(Cc2ccccc2Br)CC1 ZINC000519422418 532464874 /nfs/dbraw/zinc/46/48/74/532464874.db2.gz UTKOWFOWNYPBEJ-IBGZPJMESA-N 1 0 393.325 2.345 20 0 GEADRO CN(C(=O)c1nscc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651315254 532464997 /nfs/dbraw/zinc/46/49/97/532464997.db2.gz SFXNADVVXFAGOJ-GFCCVEGCSA-N 1 0 387.347 2.146 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cnn2cc(Br)cnc12 ZINC000468474629 532465897 /nfs/dbraw/zinc/46/58/97/532465897.db2.gz IRKZNQVUPMDGQC-CYBMUJFWSA-N 1 0 380.290 2.342 20 0 GEADRO Cc1sc(Br)c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1C ZINC000282432170 532466408 /nfs/dbraw/zinc/46/64/08/532466408.db2.gz MWXFGBXEOOLBHS-NSHDSACASA-N 1 0 388.331 2.197 20 0 GEADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2Cl)CC1(C)C ZINC000282426614 532466618 /nfs/dbraw/zinc/46/66/18/532466618.db2.gz FTXROXZCXQSHPF-UHFFFAOYSA-N 1 0 380.341 2.298 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000373747201 532466807 /nfs/dbraw/zinc/46/68/07/532466807.db2.gz SZJJFSQBYCUWAR-UHFFFAOYSA-N 1 0 382.302 2.479 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000683909399 532466987 /nfs/dbraw/zinc/46/69/87/532466987.db2.gz AVFLCPRBBCRFSR-QGZVFWFLSA-N 1 0 385.295 2.099 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)C1 ZINC000628425412 532468300 /nfs/dbraw/zinc/46/83/00/532468300.db2.gz KAABEKRDSULBDT-CGTJXYLNSA-N 1 0 386.945 2.491 20 0 GEADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000429003968 532468355 /nfs/dbraw/zinc/46/83/55/532468355.db2.gz ZAXFAXGCNRXXIN-UONOGXRCSA-N 1 0 389.924 2.271 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)ccc1S(=O)(=O)C(F)F ZINC000282443445 532468467 /nfs/dbraw/zinc/46/84/67/532468467.db2.gz URDSLZGAGXDQRK-DJNLSKAYSA-N 1 0 381.466 2.253 20 0 GEADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683940282 532469196 /nfs/dbraw/zinc/46/91/96/532469196.db2.gz LJKUXABNZDBLSY-HZSPNIEDSA-N 1 0 391.990 2.060 20 0 GEADRO O=C1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)N1 ZINC000683932030 532469521 /nfs/dbraw/zinc/46/95/21/532469521.db2.gz JGHRVIAHTGTCSY-OAHLLOKOSA-N 1 0 382.302 2.044 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000429069791 532469788 /nfs/dbraw/zinc/46/97/88/532469788.db2.gz AUXWONDLUGUWBG-CYBMUJFWSA-N 1 0 394.313 2.109 20 0 GEADRO C[N@H+](CC(=O)NC[C@H]1CSCCN1Cc1ccccc1)[C@@H]1CCSC1 ZINC000429049886 532470186 /nfs/dbraw/zinc/47/01/86/532470186.db2.gz XFCLLEFPJAGSND-MSOLQXFVSA-N 1 0 379.595 2.158 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000373786503 532470241 /nfs/dbraw/zinc/47/02/41/532470241.db2.gz KACUVJSHYVVPRK-AWEZNQCLSA-N 1 0 387.933 2.147 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000282483278 532470516 /nfs/dbraw/zinc/47/05/16/532470516.db2.gz MMGUFEDYARJNEF-LBPRGKRZSA-N 1 0 383.290 2.412 20 0 GEADRO O=c1cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)nc2ccc(Br)cn12 ZINC000562554709 532471538 /nfs/dbraw/zinc/47/15/38/532471538.db2.gz ZEVQDTRTMXIPKC-YJBOKZPZSA-N 1 0 392.297 2.344 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000684176804 532471779 /nfs/dbraw/zinc/47/17/79/532471779.db2.gz XCSLFAYRWJCKLV-SFHVURJKSA-N 1 0 395.297 2.140 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000429181511 532471776 /nfs/dbraw/zinc/47/17/76/532471776.db2.gz KTUUEEYEDYJWHM-LBPRGKRZSA-N 1 0 387.552 2.001 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000628682963 532472007 /nfs/dbraw/zinc/47/20/07/532472007.db2.gz RTKNQMSFYQJHAD-ACJLOTCBSA-N 1 0 381.314 2.127 20 0 GEADRO CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCNC1=O ZINC000282508269 532472667 /nfs/dbraw/zinc/47/26/67/532472667.db2.gz XFQGZPRRABLEED-WCQYABFASA-N 1 0 391.693 2.053 20 0 GEADRO CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCNC1=O ZINC000282508271 532473008 /nfs/dbraw/zinc/47/30/08/532473008.db2.gz XFQGZPRRABLEED-YPMHNXCESA-N 1 0 391.693 2.053 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C2([NH3+])CCC2)C[C@H]1c1ccc(Br)cc1 ZINC000519641101 532473202 /nfs/dbraw/zinc/47/32/02/532473202.db2.gz FEXQRBPVUVXHIK-UONOGXRCSA-N 1 0 381.270 2.046 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CSc2cccc(Br)c2)C1 ZINC000683912650 532467475 /nfs/dbraw/zinc/46/74/75/532467475.db2.gz MIOKWBBWLWFCCO-MRXNPFEDSA-N 1 0 387.343 2.456 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000429457128 532476632 /nfs/dbraw/zinc/47/66/32/532476632.db2.gz UKCZNQIAAZLNKO-SNVBAGLBSA-N 1 0 382.299 2.071 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373929538 532478097 /nfs/dbraw/zinc/47/80/97/532478097.db2.gz PNORMSJLXUFURC-HOTGVXAUSA-N 1 0 394.313 2.312 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000195480114 532478455 /nfs/dbraw/zinc/47/84/55/532478455.db2.gz RRZXTXUMIJFLIU-UHFFFAOYSA-N 1 0 398.301 2.388 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000429549474 532480412 /nfs/dbraw/zinc/48/04/12/532480412.db2.gz QLCFXLLRLIZVRU-LLVKDONJSA-N 1 0 394.191 2.260 20 0 GEADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C(C)(C)C(N)=O ZINC000295823720 532480943 /nfs/dbraw/zinc/48/09/43/532480943.db2.gz YCAODWHEJOIDHM-JTQLQIEISA-N 1 0 379.682 2.038 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000236789458 532496863 /nfs/dbraw/zinc/49/68/63/532496863.db2.gz YRWFEOFATFJZFV-LBPRGKRZSA-N 1 0 382.302 2.436 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000629173773 532481618 /nfs/dbraw/zinc/48/16/18/532481618.db2.gz UMFYPYYSPVQHOD-GFCCVEGCSA-N 1 0 378.885 2.078 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000429905677 532483832 /nfs/dbraw/zinc/48/38/32/532483832.db2.gz CXAGNUVQBJNCSS-QGZVFWFLSA-N 1 0 395.301 2.067 20 0 GEADRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000629265520 532484146 /nfs/dbraw/zinc/48/41/46/532484146.db2.gz RZJBVDAFXFPBMQ-CQSZACIVSA-N 1 0 382.302 2.214 20 0 GEADRO CC1(C)NC(=O)N(CCC[NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000374010078 532484543 /nfs/dbraw/zinc/48/45/43/532484543.db2.gz LKRJVKOMDUPDSF-UHFFFAOYSA-N 1 0 398.305 2.003 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000562820810 532485409 /nfs/dbraw/zinc/48/54/09/532485409.db2.gz CCINGIZUZBWSSM-CYBMUJFWSA-N 1 0 384.318 2.001 20 0 GEADRO O=C(Nc1cc2ccc(Br)cn2n1)N1CC[NH+](CC2CC2)CC1 ZINC000429981819 532485599 /nfs/dbraw/zinc/48/55/99/532485599.db2.gz KNCJIBXLWQJVEZ-UHFFFAOYSA-N 1 0 378.274 2.656 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000374083985 532488059 /nfs/dbraw/zinc/48/80/59/532488059.db2.gz NZDPYHHUVCLTBR-GXSJLCMTSA-N 1 0 379.707 2.475 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000374083994 532488121 /nfs/dbraw/zinc/48/81/21/532488121.db2.gz NZDPYHHUVCLTBR-ONGXEEELSA-N 1 0 379.707 2.475 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000374084353 532488918 /nfs/dbraw/zinc/48/89/18/532488918.db2.gz PJGQYFIUROGSHZ-BXKDBHETSA-N 1 0 379.707 2.475 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000374084273 532488942 /nfs/dbraw/zinc/48/89/42/532488942.db2.gz PBNZFGGXRWDDMX-RNCFNFMXSA-N 1 0 379.707 2.475 20 0 GEADRO COCC[C@@H](COC)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000520666989 532497154 /nfs/dbraw/zinc/49/71/54/532497154.db2.gz XTDFLLCHRBGDBQ-ZJUUUORDSA-N 1 0 385.313 2.343 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)cc(Br)c3)[C@@H]2C1 ZINC000651712152 532489708 /nfs/dbraw/zinc/48/97/08/532489708.db2.gz YFKTWQPSZUVYQP-NOZJJQNGSA-N 1 0 386.677 2.204 20 0 GEADRO COC[C@@H](CC(C)(C)C)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000651718771 532490284 /nfs/dbraw/zinc/49/02/84/532490284.db2.gz YHYCNDNWVUDLSH-MRXNPFEDSA-N 1 0 376.563 2.000 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000374108431 532490508 /nfs/dbraw/zinc/49/05/08/532490508.db2.gz PUWKCCBZSWFPPS-RISCZKNCSA-N 1 0 387.311 2.362 20 0 GEADRO O=C(c1cc2cc(Cl)sc2[nH]1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000562957932 532490946 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O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000236664062 532492767 /nfs/dbraw/zinc/49/27/67/532492767.db2.gz FDMFWZZGCNFQPJ-CZUORRHYSA-N 1 0 394.313 2.170 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000236686141 532493021 /nfs/dbraw/zinc/49/30/21/532493021.db2.gz HPEDIWYWBKGDSK-BBRMVZONSA-N 1 0 382.302 2.214 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000236676115 532493426 /nfs/dbraw/zinc/49/34/26/532493426.db2.gz VTKFZYPLPQLULD-UHFFFAOYSA-N 1 0 380.330 2.282 20 0 GEADRO O[C@@H](C[NH2+][C@@H](Cc1cccc(Br)c1)CC1CC1)CN1CCOCC1 ZINC000563014350 532493623 /nfs/dbraw/zinc/49/36/23/532493623.db2.gz UHRRKVOCWBRHNH-MOPGFXCFSA-N 1 0 397.357 2.443 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(Cc2ccccc2Br)C1 ZINC000629605333 532497268 /nfs/dbraw/zinc/49/72/68/532497268.db2.gz JOOAFAVDEMPUDY-AWEZNQCLSA-N 1 0 381.314 2.418 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1nccn1Cc1ccc(Br)cc1 ZINC000236711809 532494444 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COCC[C@]1(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000430314712 532495363 /nfs/dbraw/zinc/49/53/63/532495363.db2.gz ZIIOFFOAIFSPAN-SJLPKXTDSA-N 1 0 397.313 2.365 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000520567466 532495996 /nfs/dbraw/zinc/49/59/96/532495996.db2.gz IGIVHNXDSKCRDB-INIZCTEOSA-N 1 0 396.329 2.146 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651552533 532474725 /nfs/dbraw/zinc/47/47/25/532474725.db2.gz QMQPPZBONCEWAB-JTQLQIEISA-N 1 0 386.370 2.110 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651553389 532474830 /nfs/dbraw/zinc/47/48/30/532474830.db2.gz PSBMVRBPQZQTRP-AWEZNQCLSA-N 1 0 389.924 2.270 20 0 GEADRO COC(=O)CNC(=O)CC[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429377099 532474849 /nfs/dbraw/zinc/47/48/49/532474849.db2.gz CDSDFCZQTMAMSY-INIZCTEOSA-N 1 0 383.286 2.341 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)s1 ZINC000373849307 532475837 /nfs/dbraw/zinc/47/58/37/532475837.db2.gz FURGIATUNDCLBR-UHFFFAOYSA-N 1 0 385.555 2.312 20 0 GEADRO CC[NH2+]CCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000237025209 532502106 /nfs/dbraw/zinc/50/21/06/532502106.db2.gz KZWFFEWCZMGXRK-UHFFFAOYSA-N 1 0 390.328 2.460 20 0 GEADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000629801309 532502190 /nfs/dbraw/zinc/50/21/90/532502190.db2.gz DYWCAPODZUPKOM-AWEZNQCLSA-N 1 0 386.265 2.059 20 0 GEADRO CCc1nc(CN2CCC(CNC(=O)C[C@@H]3CSCC[NH2+]3)CC2)cs1 ZINC000237042794 532502995 /nfs/dbraw/zinc/50/29/95/532502995.db2.gz SDLSPERPRTXLML-OAHLLOKOSA-N 1 0 382.599 2.129 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1Br ZINC000431014310 532503057 /nfs/dbraw/zinc/50/30/57/532503057.db2.gz IWADKUNBUYQNOE-UHFFFAOYSA-N 1 0 395.319 2.262 20 0 GEADRO [NH3+]CC1(CCNC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000652136539 532503561 /nfs/dbraw/zinc/50/35/61/532503561.db2.gz RZKNBTXSJANJPX-UHFFFAOYSA-N 1 0 383.290 2.206 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000431024515 532503626 /nfs/dbraw/zinc/50/36/26/532503626.db2.gz PFFOTAPNFZYNCE-UHFFFAOYSA-N 1 0 377.279 2.352 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000521007956 532503848 /nfs/dbraw/zinc/50/38/48/532503848.db2.gz CALNOUKIPZZEQC-HRCADAONSA-N 1 0 394.313 2.022 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431038181 532504806 /nfs/dbraw/zinc/50/48/06/532504806.db2.gz BKURWYWDEJDCEM-UHFFFAOYSA-N 1 0 386.901 2.281 20 0 GEADRO Nc1ncc(Cl)cc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000431073710 532504922 /nfs/dbraw/zinc/50/49/22/532504922.db2.gz LPKMGEDYRYJRSF-HNNXBMFYSA-N 1 0 380.901 2.433 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000237249379 532505256 /nfs/dbraw/zinc/50/52/56/532505256.db2.gz JHHRDMIBYTVRRE-IUODEOHRSA-N 1 0 380.286 2.012 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)NCc2ccsc2Br)CC1 ZINC000282902239 532505403 /nfs/dbraw/zinc/50/54/03/532505403.db2.gz WXQZVPXEWWDQHD-UHFFFAOYSA-N 1 0 389.363 2.336 20 0 GEADRO CCO[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000652184290 532505467 /nfs/dbraw/zinc/50/54/67/532505467.db2.gz CFJYSNZEYQGKQA-SLBVQIDZSA-N 1 0 382.302 2.310 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000652188818 532505921 /nfs/dbraw/zinc/50/59/21/532505921.db2.gz XGQBBWYMLUDUSF-UHFFFAOYSA-N 1 0 399.333 2.173 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000237243182 532506282 /nfs/dbraw/zinc/50/62/82/532506282.db2.gz PABXLWJQQHCKCT-UONOGXRCSA-N 1 0 394.313 2.260 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000652228789 532506701 /nfs/dbraw/zinc/50/67/01/532506701.db2.gz RHDRXEOIIREOEZ-HNNXBMFYSA-N 1 0 398.345 2.315 20 0 GEADRO CCn1c(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nc2cc(Br)ccc21 ZINC000563593798 532506745 /nfs/dbraw/zinc/50/67/45/532506745.db2.gz YSAGYMWEWSFBMK-TXEJJXNPSA-N 1 0 392.301 2.180 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000237327790 532507135 /nfs/dbraw/zinc/50/71/35/532507135.db2.gz XDLKDDDGZFTZFZ-KOLCDFICSA-N 1 0 377.869 2.185 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1F ZINC000594462658 532507722 /nfs/dbraw/zinc/50/77/22/532507722.db2.gz FHCLXDFOASOHDM-LLVKDONJSA-N 1 0 392.880 2.276 20 0 GEADRO CCc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)s1 ZINC000374525739 532507854 /nfs/dbraw/zinc/50/78/54/532507854.db2.gz CLTWITCDBCDCQH-AWEZNQCLSA-N 1 0 387.571 2.003 20 0 GEADRO Cc1cc(Br)c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cc1Cl ZINC000563636247 532507957 /nfs/dbraw/zinc/50/79/57/532507957.db2.gz JSIVTGVLNAEFKX-SNVBAGLBSA-N 1 0 390.709 2.207 20 0 GEADRO COC[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000563626034 532508346 /nfs/dbraw/zinc/50/83/46/532508346.db2.gz NZFSMXIEUXKBEN-KBXCAEBGSA-N 1 0 396.329 2.018 20 0 GEADRO O=C(Cc1cccc(I)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374506409 532508453 /nfs/dbraw/zinc/50/84/53/532508453.db2.gz NQJCZUSMMFTYEI-UHFFFAOYSA-N 1 0 384.261 2.436 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cc(F)c(F)c(F)c3)C2)C1 ZINC000652375661 532508556 /nfs/dbraw/zinc/50/85/56/532508556.db2.gz WZRNONKGGJUFKJ-FIXISWKDSA-N 1 0 378.416 2.011 20 0 GEADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1cccc(I)c1 ZINC000469669404 532508636 /nfs/dbraw/zinc/50/86/36/532508636.db2.gz HNZQFXFIYGVUQO-RYUDHWBXSA-N 1 0 388.249 2.221 20 0 GEADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000282954167 532508709 /nfs/dbraw/zinc/50/87/09/532508709.db2.gz FGGFHBDQELFMIJ-UHFFFAOYSA-N 1 0 391.946 2.139 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(F)c(F)cc1I ZINC000237710969 532510917 /nfs/dbraw/zinc/51/09/17/532510917.db2.gz QTKRSUUQWNXSMJ-MRVPVSSYSA-N 1 0 380.176 2.441 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000563866597 532510895 /nfs/dbraw/zinc/51/08/95/532510895.db2.gz SQSOPMBXNCDVMW-OAHLLOKOSA-N 1 0 384.933 2.487 20 0 GEADRO 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C[NH2+][C@@H](C(=O)N(C)Cc1cc(Br)ccc1OC)c1cnn(C)c1 ZINC000262226126 532588556 /nfs/dbraw/zinc/58/85/56/532588556.db2.gz PSFGVZZJVQJVNZ-OAHLLOKOSA-N 1 0 381.274 2.110 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@H]1[NH3+] ZINC000262192995 532589009 /nfs/dbraw/zinc/58/90/09/532589009.db2.gz ZUXGWUNZRPLDSU-HUUCEWRRSA-N 1 0 394.313 2.388 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)C[C@H]12 ZINC000262360741 532590316 /nfs/dbraw/zinc/59/03/16/532590316.db2.gz INHPUTYFJZSPPX-KGYLQXTDSA-N 1 0 376.507 2.195 20 0 GEADRO COCC1(CNC(=O)[C@H](OC)c2ccccc2Br)CC[NH2+]CC1 ZINC000655460714 532590528 /nfs/dbraw/zinc/59/05/28/532590528.db2.gz WOWUNWDUNKDEHZ-OAHLLOKOSA-N 1 0 385.302 2.269 20 0 GEADRO C[C@H](CCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)[NH+]1CCCCC1 ZINC000632204239 532590903 /nfs/dbraw/zinc/59/09/03/532590903.db2.gz ILYUPAHACYEMHZ-CYBMUJFWSA-N 1 0 383.539 2.143 20 0 GEADRO [NH2+]=C(NCCCN1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000376018922 532591307 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C[NH+](C)CCCS(=O)(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000632559213 532625778 /nfs/dbraw/zinc/62/57/78/532625778.db2.gz DAJBSJWBOGKROG-HNNXBMFYSA-N 1 0 391.331 2.104 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc(Br)c1 ZINC000566736913 532625980 /nfs/dbraw/zinc/62/59/80/532625980.db2.gz BWVQKBPTSNJZKS-TZMCWYRMSA-N 1 0 376.316 2.364 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000632556364 532626125 /nfs/dbraw/zinc/62/61/25/532626125.db2.gz HDHMFUDYRHEMMY-HNNXBMFYSA-N 1 0 391.331 2.104 20 0 GEADRO C[C@H](O)C[NH+]1CCN(Cc2ccc(I)c(Cl)c2)CC1 ZINC000436117089 532626472 /nfs/dbraw/zinc/62/64/72/532626472.db2.gz YCKDOUOOMAHJFT-NSHDSACASA-N 1 0 394.684 2.443 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1cccs1 ZINC000284842230 532626700 /nfs/dbraw/zinc/62/67/00/532626700.db2.gz SPNZDPRNLOPXER-SNVBAGLBSA-N 1 0 397.298 2.263 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)N(C)CCC[NH3+])C2=O)ccc1Br ZINC000566727912 532626845 /nfs/dbraw/zinc/62/68/45/532626845.db2.gz SWIDWZQMVSBDQU-OAHLLOKOSA-N 1 0 397.317 2.243 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000632598370 532627667 /nfs/dbraw/zinc/62/76/67/532627667.db2.gz QGSIHQRVAMSRQG-NSHDSACASA-N 1 0 394.360 2.342 20 0 GEADRO [NH3+]CCCCC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000566853755 532628007 /nfs/dbraw/zinc/62/80/07/532628007.db2.gz GOFHPHQOEWKWLE-UHFFFAOYSA-N 1 0 381.274 2.372 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000566843999 532628430 /nfs/dbraw/zinc/62/84/30/532628430.db2.gz SHYFQMZSINQGQE-GFCCVEGCSA-N 1 0 379.262 2.246 20 0 GEADRO COCC[N@@H+]1CC[C@H](NCc2c(F)ccc(I)c2F)C1 ZINC000474795266 532628704 /nfs/dbraw/zinc/62/87/04/532628704.db2.gz NTSYTIJUFPMANL-JTQLQIEISA-N 1 0 396.219 2.380 20 0 GEADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000567231496 532646122 /nfs/dbraw/zinc/64/61/22/532646122.db2.gz BNJJABFRGYOGEU-OBJOEFQTSA-N 1 0 395.301 2.019 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(Cc3nnc(-c4ccccc4Br)o3)[C@H]2C1 ZINC000284889383 532629738 /nfs/dbraw/zinc/62/97/38/532629738.db2.gz REDDFBZHKMKTNU-LSDHHAIUSA-N 1 0 393.285 2.404 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CCSC1 ZINC000436205094 532630006 /nfs/dbraw/zinc/63/00/06/532630006.db2.gz CWXVMYYECCYMSD-VHDGCEQUSA-N 1 0 383.480 2.207 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000474886510 532631626 /nfs/dbraw/zinc/63/16/26/532631626.db2.gz LNXNVVWLEKSZNM-UHFFFAOYSA-N 1 0 383.290 2.103 20 0 GEADRO COC(=O)c1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c[nH]1 ZINC000531240326 532631801 /nfs/dbraw/zinc/63/18/01/532631801.db2.gz BGJWMSCZRINRFX-UHFFFAOYSA-N 1 0 394.269 2.474 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cncc(Br)c1 ZINC000566927091 532631993 /nfs/dbraw/zinc/63/19/93/532631993.db2.gz ULYCOXFJBTYCIX-BXUZGUMPSA-N 1 0 378.274 2.424 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000376834967 532632033 /nfs/dbraw/zinc/63/20/33/532632033.db2.gz REFQODAAOCAWEZ-CZUORRHYSA-N 1 0 396.333 2.304 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000298178576 532632267 /nfs/dbraw/zinc/63/22/67/532632267.db2.gz XPDVMCQCDBZWFQ-OAHLLOKOSA-N 1 0 384.567 2.208 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1nc2c(s1)CSCC2)[NH+]1CCCCC1 ZINC000376869285 532632376 /nfs/dbraw/zinc/63/23/76/532632376.db2.gz DIBJSXKDIPQFKO-LBPRGKRZSA-N 1 0 382.555 2.252 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(Cc3nc(-c4ccc(Br)s4)no3)[C@@H]2C1 ZINC000284962481 532633948 /nfs/dbraw/zinc/63/39/48/532633948.db2.gz WKXIQBKSBLPBHA-GHMZBOCLSA-N 1 0 399.314 2.466 20 0 GEADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)C[C@H](C)O1 ZINC000263698716 532634808 /nfs/dbraw/zinc/63/48/08/532634808.db2.gz FHCNSBLJHYDSQK-OKILXGFUSA-N 1 0 387.933 2.245 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000531604101 532635107 /nfs/dbraw/zinc/63/51/07/532635107.db2.gz DNEIRCBJMLBSHJ-JKSUJKDBSA-N 1 0 396.329 2.403 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nc3c(s2)CSCC3)[C@H](C)C1 ZINC000376913667 532635478 /nfs/dbraw/zinc/63/54/78/532635478.db2.gz FHKNLSCLXDJJMS-DGCLKSJQSA-N 1 0 382.555 2.060 20 0 GEADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CC1 ZINC000632658809 532635526 /nfs/dbraw/zinc/63/55/26/532635526.db2.gz HYRKYFJVMNTOPH-ZDUSSCGKSA-N 1 0 387.571 2.440 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CSc1ccccc1Cl ZINC000263710349 532635714 /nfs/dbraw/zinc/63/57/14/532635714.db2.gz QFJPAKCZKDHGFC-OAHLLOKOSA-N 1 0 383.945 2.491 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284971129 532636188 /nfs/dbraw/zinc/63/61/88/532636188.db2.gz XQWOMVJXHAZWSP-AWEZNQCLSA-N 1 0 376.320 2.214 20 0 GEADRO CN([C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C1CC[NH+](CCO)CC1 ZINC000475052108 532636929 /nfs/dbraw/zinc/63/69/29/532636929.db2.gz ITKYPSPOHCJNRN-KRWDZBQOSA-N 1 0 386.323 2.487 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000284998253 532637813 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C[C@@H](CNC(=O)/C=C/c1cc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000263815213 532642364 /nfs/dbraw/zinc/64/23/64/532642364.db2.gz YARWRXWATGXEFX-YIALFULDSA-N 1 0 384.293 2.354 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000263798092 532642396 /nfs/dbraw/zinc/64/23/96/532642396.db2.gz SCIOOYFEIYCJFE-LSDHHAIUSA-N 1 0 398.345 2.277 20 0 GEADRO O=C(COc1cccc(I)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000567164514 532643022 /nfs/dbraw/zinc/64/30/22/532643022.db2.gz LQDSLEULSAYUSF-BETUJISGSA-N 1 0 386.233 2.023 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567161893 532643303 /nfs/dbraw/zinc/64/33/03/532643303.db2.gz ZDHCXKQUZJBMDO-DGCLKSJQSA-N 1 0 382.309 2.148 20 0 GEADRO CC(=O)N1CCN(C(=O)CN(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000298358810 532644178 /nfs/dbraw/zinc/64/41/78/532644178.db2.gz XVYYHQUKVSBKQX-UHFFFAOYSA-N 1 0 394.313 2.104 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000656916070 532645386 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GEADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)CSCc2cscn2)cc1 ZINC000438205320 532668144 /nfs/dbraw/zinc/66/81/44/532668144.db2.gz LMOUGKWFCVYDGH-HNNXBMFYSA-N 1 0 381.523 2.316 20 0 GEADRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000377747435 532668475 /nfs/dbraw/zinc/66/84/75/532668475.db2.gz RJTJJXSWXRBVFE-HIFRSBDPSA-N 1 0 392.301 2.485 20 0 GEADRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649689 532668595 /nfs/dbraw/zinc/66/85/95/532668595.db2.gz HIJGXDIXCLHIFX-QEJZJMRPSA-N 1 0 387.933 2.204 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377750136 532668583 /nfs/dbraw/zinc/66/85/83/532668583.db2.gz WYVKEUBUUUUZNU-MELADBBJSA-N 1 0 387.307 2.485 20 0 GEADRO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1Cl ZINC000285304957 532668642 /nfs/dbraw/zinc/66/86/42/532668642.db2.gz QMYIJSYATJTBTP-LSDHHAIUSA-N 1 0 386.279 2.172 20 0 GEADRO COc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)c(I)c1 ZINC000298387775 532646725 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2.254 20 0 GEADRO O=C(Nc1c(F)cc(F)cc1Br)N1CCC([NH2+]CCO)CC1 ZINC000632938550 532651437 /nfs/dbraw/zinc/65/14/37/532651437.db2.gz WLLXDGZDLWHSIA-UHFFFAOYSA-N 1 0 378.217 2.306 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000377319332 532651476 /nfs/dbraw/zinc/65/14/76/532651476.db2.gz ZTZMRIYLPXINNZ-AWEZNQCLSA-N 1 0 385.555 2.089 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2cc(C)sc2C)c1 ZINC000532376487 532652396 /nfs/dbraw/zinc/65/23/96/532652396.db2.gz MXIDZFFKYLHVHM-LBPRGKRZSA-N 1 0 381.523 2.390 20 0 GEADRO CCC(=O)N1CSC[C@@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000263961887 532652858 /nfs/dbraw/zinc/65/28/58/532652858.db2.gz SGCWAKWUAOACBX-MRXNPFEDSA-N 1 0 381.567 2.388 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCC2(c3ccc(Br)s3)CCC2)CCO1 ZINC000567454935 532653974 /nfs/dbraw/zinc/65/39/74/532653974.db2.gz FSWLLFNCWXWOGK-LLVKDONJSA-N 1 0 388.331 2.301 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c2ccsc2S1(=O)=O ZINC000567464782 532654228 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GEADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000567522127 532656624 /nfs/dbraw/zinc/65/66/24/532656624.db2.gz HCVZXFMDWMCPJR-OTYXRUKQSA-N 1 0 396.314 2.212 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cc(Cl)ccc2C)CC1 ZINC000298514079 532656579 /nfs/dbraw/zinc/65/65/79/532656579.db2.gz YHMFIJGRGJNQKQ-UHFFFAOYSA-N 1 0 388.917 2.202 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)sc1C(F)(F)F ZINC000567712557 532658098 /nfs/dbraw/zinc/65/80/98/532658098.db2.gz ALBPWWTUFDKKQN-CQSZACIVSA-N 1 0 376.404 2.011 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000633034943 532659004 /nfs/dbraw/zinc/65/90/04/532659004.db2.gz BIBYSZLMMDAERP-XYPYZODXSA-N 1 0 386.265 2.469 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000633036198 532659041 /nfs/dbraw/zinc/65/90/41/532659041.db2.gz JGCAHFXJNOWXNN-UMSPYCQHSA-N 1 0 395.301 2.294 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000535621595 532684465 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COC(=O)CC1([NH2+]CCSc2ccccc2F)CCS(=O)(=O)CC1 ZINC000439254415 532686060 /nfs/dbraw/zinc/68/60/60/532686060.db2.gz DKUCDCRSMPKIPW-UHFFFAOYSA-N 1 0 375.487 2.018 20 0 GEADRO COC(=O)CSCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000264293308 532669621 /nfs/dbraw/zinc/66/96/21/532669621.db2.gz VGSCCELMWQJHMT-AWEZNQCLSA-N 1 0 385.555 2.166 20 0 GEADRO COc1cccc([C@@H](CNC(=O)Cn2cc(Br)cn2)[NH+](C)C)c1 ZINC000298745443 532670482 /nfs/dbraw/zinc/67/04/82/532670482.db2.gz YPNUTZFYRCVDPT-OAHLLOKOSA-N 1 0 381.274 2.073 20 0 GEADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000298730085 532670521 /nfs/dbraw/zinc/67/05/21/532670521.db2.gz IPKXJZMHHSJURM-HZPDHXFCSA-N 1 0 387.571 2.061 20 0 GEADRO CC(C)OC[C@H](O)C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000567899350 532670807 /nfs/dbraw/zinc/67/08/07/532670807.db2.gz YOJQKTWSSGWYDX-ZIAGYGMSSA-N 1 0 378.282 2.115 20 0 GEADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000298730087 532671012 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CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(I)c2)C[C@H]1O ZINC000534863266 532673578 /nfs/dbraw/zinc/67/35/78/532673578.db2.gz GTTQUUHJBRAEFP-JTNHKYCSSA-N 1 0 388.249 2.321 20 0 GEADRO OC[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C1CCOCC1 ZINC000568242069 532673804 /nfs/dbraw/zinc/67/38/04/532673804.db2.gz PUMVLYUYTPBRQK-HNNXBMFYSA-N 1 0 386.286 2.488 20 0 GEADRO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000264423409 532673845 /nfs/dbraw/zinc/67/38/45/532673845.db2.gz MUPYEGGNQHEZKG-CQSZACIVSA-N 1 0 396.329 2.003 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568282042 532675047 /nfs/dbraw/zinc/67/50/47/532675047.db2.gz LPHYHVHQOCAHRM-JSGCOSHPSA-N 1 0 395.301 2.348 20 0 GEADRO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000264466054 532675122 /nfs/dbraw/zinc/67/51/22/532675122.db2.gz WCRPMKNSACUMDF-DZGCQCFKSA-N 1 0 396.329 2.036 20 0 GEADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000378012146 532675532 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CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCCCS(C)(=O)=O ZINC000264841374 532680308 /nfs/dbraw/zinc/68/03/08/532680308.db2.gz JYUIEAPYHKQNCQ-UHFFFAOYSA-N 1 0 375.560 2.036 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000285449436 532680600 /nfs/dbraw/zinc/68/06/00/532680600.db2.gz IWXKBUOPMQVLJB-GXTWGEPZSA-N 1 0 376.320 2.042 20 0 GEADRO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@H]1CCc2[nH]cnc2C1 ZINC000378113415 532680667 /nfs/dbraw/zinc/68/06/67/532680667.db2.gz PUZXOOLCSRVFAS-SWLSCSKDSA-N 1 0 379.258 2.062 20 0 GEADRO COc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1Br ZINC000378153029 532681265 /nfs/dbraw/zinc/68/12/65/532681265.db2.gz RHURXJJYWFWVHO-GOSISDBHSA-N 1 0 399.329 2.429 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638148919 532681638 /nfs/dbraw/zinc/68/16/38/532681638.db2.gz PEKAAUHJJLYPQW-IVMMDQJWSA-N 1 0 394.313 2.136 20 0 GEADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@H]3CSCCS3)CC2)C[C@H](C)O1 ZINC000378130518 532681794 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C[NH+](C)[C@H](CNC(=O)Cn1cc(Br)ccc1=O)c1ccc(F)cc1 ZINC000299034955 532692078 /nfs/dbraw/zinc/69/20/78/532692078.db2.gz SVAAQHLDHIMLIK-OAHLLOKOSA-N 1 0 396.260 2.169 20 0 GEADRO C[C@H](C[S@](C)=O)[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439429381 532692327 /nfs/dbraw/zinc/69/23/27/532692327.db2.gz FDPXWTPLUGJJKN-NDRLBQGXSA-N 1 0 382.295 2.027 20 0 GEADRO Cn1c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)nc2ccc(Cl)cc21 ZINC000285582186 532693434 /nfs/dbraw/zinc/69/34/34/532693434.db2.gz UAOYVFIOGUAHET-OCCSQVGLSA-N 1 0 384.933 2.424 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2CCOc3c(Br)cccc32)C1 ZINC000378404686 532693600 /nfs/dbraw/zinc/69/36/00/532693600.db2.gz PIWMFTUOTDDBAY-FZMZJTMJSA-N 1 0 389.315 2.144 20 0 GEADRO OCC[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439454467 532694111 /nfs/dbraw/zinc/69/41/11/532694111.db2.gz RSYGHOFAKAAGMU-UONOGXRCSA-N 1 0 394.306 2.128 20 0 GEADRO C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439444682 532694520 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COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000439592840 532697144 /nfs/dbraw/zinc/69/71/44/532697144.db2.gz VEHRMCQOMFONLG-ZDUSSCGKSA-N 1 0 396.285 2.091 20 0 GEADRO [NH3+]CCOCc1cn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1 ZINC000640754276 532697124 /nfs/dbraw/zinc/69/71/24/532697124.db2.gz DSOOJHTXEKGRBF-UHFFFAOYSA-N 1 0 377.754 2.064 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(F)c(Br)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439591031 532697946 /nfs/dbraw/zinc/69/79/46/532697946.db2.gz CDIDZWVXGGTDNQ-LBPRGKRZSA-N 1 0 384.249 2.222 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCCN2CCC[N@H+](C)CC2)c1 ZINC000603811326 532698796 /nfs/dbraw/zinc/69/87/96/532698796.db2.gz QVJIFXKXTSQNOI-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO CCC1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCOCC1 ZINC000666291146 532699259 /nfs/dbraw/zinc/69/92/59/532699259.db2.gz MPWQTKPLQFMGSM-UHFFFAOYSA-N 1 0 377.304 2.145 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)c(F)cc1F)C1CC1 ZINC000488674996 532700672 /nfs/dbraw/zinc/70/06/72/532700672.db2.gz RVXUWRLHHAXZGT-UHFFFAOYSA-N 1 0 383.258 2.490 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000666688245 532700693 /nfs/dbraw/zinc/70/06/93/532700693.db2.gz JTCGTHHESBFFMF-LBPRGKRZSA-N 1 0 383.290 2.240 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C(F)(F)F)n1 ZINC000266037304 532700818 /nfs/dbraw/zinc/70/08/18/532700818.db2.gz BMSHCIUHPIYXTM-IXPVHAAZSA-N 1 0 379.448 2.390 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc4c(cc3Br)OCO4)CC2)C1 ZINC000604388818 532700789 /nfs/dbraw/zinc/70/07/89/532700789.db2.gz DZPNQNAQESOWGR-HNNXBMFYSA-N 1 0 396.329 2.390 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382532909 532701438 /nfs/dbraw/zinc/70/14/38/532701438.db2.gz WMYMPBRQQKRVRY-PWSUYJOCSA-N 1 0 377.304 2.254 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000666689732 532701389 /nfs/dbraw/zinc/70/13/89/532701389.db2.gz DDXVEGWWNBODIG-UHFFFAOYSA-N 1 0 383.290 2.144 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)NCc1ccc(F)cc1Br ZINC000663782657 532687348 /nfs/dbraw/zinc/68/73/48/532687348.db2.gz AZSLEKNMYBURAG-UHFFFAOYSA-N 1 0 389.313 2.271 20 0 GEADRO COc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)sc1Br ZINC000378274039 532687972 /nfs/dbraw/zinc/68/79/72/532687972.db2.gz PSJUZKSTKPNMRU-VHSXEESVSA-N 1 0 375.288 2.112 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2ccc(Br)cc2F)nn1 ZINC000285532773 532688406 /nfs/dbraw/zinc/68/84/06/532688406.db2.gz FOROLYTVGRLFAW-JTQLQIEISA-N 1 0 385.237 2.246 20 0 GEADRO COc1nsc(C[NH2+]C2CCN(c3cccnn3)CC2)c1Br ZINC000639103050 532688778 /nfs/dbraw/zinc/68/87/78/532688778.db2.gz HPSXPSMCVYFQFC-UHFFFAOYSA-N 1 0 384.303 2.463 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000639085089 532688866 /nfs/dbraw/zinc/68/88/66/532688866.db2.gz UMKXPCWETWHHKY-BXUZGUMPSA-N 1 0 384.395 2.046 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCc2cccc(C(F)(F)F)n2)CC1 ZINC000639206439 532690574 /nfs/dbraw/zinc/69/05/74/532690574.db2.gz IZROJSRCLUVSKS-UHFFFAOYSA-N 1 0 379.448 2.483 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CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1sccc1Br ZINC000285906996 532718591 /nfs/dbraw/zinc/71/85/91/532718591.db2.gz NGWMEYJSIJOGNV-UHFFFAOYSA-N 1 0 390.347 2.317 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579712209 532742684 /nfs/dbraw/zinc/74/26/84/532742684.db2.gz KMRXPPYAZYPFLA-KBMXLJTQSA-N 1 0 380.330 2.337 20 0 GEADRO CCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000540723098 532742706 /nfs/dbraw/zinc/74/27/06/532742706.db2.gz GBLCTJFMNRLMQN-RRFJBIMHSA-N 1 0 384.567 2.389 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000540723360 532743054 /nfs/dbraw/zinc/74/30/54/532743054.db2.gz MSEKGHADGDIYJM-OGHNNQOOSA-N 1 0 384.929 2.246 20 0 GEADRO O=C(NCCOc1cccc(Cl)c1Cl)c1cn(C2CC[NH2+]CC2)nn1 ZINC000579707324 532743489 /nfs/dbraw/zinc/74/34/89/532743489.db2.gz DDANEJRTYBLPLB-UHFFFAOYSA-N 1 0 384.267 2.318 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C[NH+]1CCCC1 ZINC000614621280 532744008 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C[C@@H](NC(=O)c1cc(Br)cc2ccccc21)C(=O)NCC[NH+](C)C ZINC000580449645 532746779 /nfs/dbraw/zinc/74/67/79/532746779.db2.gz WEYINUWYFVWGHX-GFCCVEGCSA-N 1 0 392.297 2.398 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000503408729 532747192 /nfs/dbraw/zinc/74/71/92/532747192.db2.gz ULHNBFMEOGSLDN-HUUCEWRRSA-N 1 0 378.441 2.066 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000540906798 532747707 /nfs/dbraw/zinc/74/77/07/532747707.db2.gz LEPVSBHCCUMFLB-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000673822085 532733000 /nfs/dbraw/zinc/73/30/00/532733000.db2.gz ZYCZVKQJJZARQX-GFCCVEGCSA-N 1 0 389.315 2.220 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)Cc1cc(OC)ccc1Br)C1CC1 ZINC000410112610 532733627 /nfs/dbraw/zinc/73/36/27/532733627.db2.gz GIYJERCWLVVWGX-UHFFFAOYSA-N 1 0 391.331 2.361 20 0 GEADRO CC(C)(CO)[NH+]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000673897167 532733895 /nfs/dbraw/zinc/73/38/95/532733895.db2.gz 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O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(I)ccc1O ZINC000300403575 532738478 /nfs/dbraw/zinc/73/84/78/532738478.db2.gz OSNCQBFSGMFTNR-NEPJUHHUSA-N 1 0 386.233 2.353 20 0 GEADRO COc1ccc(Cl)cc1CS(=O)(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000443504109 532747915 /nfs/dbraw/zinc/74/79/15/532747915.db2.gz VMILVSUFBRPPEC-UHFFFAOYSA-N 1 0 390.933 2.003 20 0 GEADRO Cc1nc(-c2cccs2)c(CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)s1 ZINC000614514106 532738946 /nfs/dbraw/zinc/73/89/46/532738946.db2.gz ZCQZATUGFJUYNJ-AWEZNQCLSA-N 1 0 376.551 2.229 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000267624365 532748124 /nfs/dbraw/zinc/74/81/24/532748124.db2.gz CXHOXHIGAVSYAS-LLVKDONJSA-N 1 0 386.290 2.241 20 0 GEADRO C[C@@H]1COCCN1CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000410415303 532739470 /nfs/dbraw/zinc/73/94/70/532739470.db2.gz VCYZGAYUASYYMX-MRXNPFEDSA-N 1 0 382.346 2.287 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2c(cncc2Br)s1 ZINC000614513355 532740056 /nfs/dbraw/zinc/74/00/56/532740056.db2.gz 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ZINC000620237741 532761485 /nfs/dbraw/zinc/76/14/85/532761485.db2.gz IYJABYHWMVFGKL-AWEZNQCLSA-N 1 0 384.929 2.494 20 0 GEADRO C[C@@]([NH3+])(C(=O)NC[C@H](CO)Cc1ccco1)c1ccc(Br)cc1 ZINC000582783858 532762117 /nfs/dbraw/zinc/76/21/17/532762117.db2.gz WIGJXSJAPUPPIU-PXAZEXFGSA-N 1 0 381.270 2.183 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286674397 532762229 /nfs/dbraw/zinc/76/22/29/532762229.db2.gz KWORVUCIGDDRKO-DOMZBBRYSA-N 1 0 386.901 2.374 20 0 GEADRO C[C@H]1CCNC(=O)[C@@H]1NCc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000580517360 532749637 /nfs/dbraw/zinc/74/96/37/532749637.db2.gz DOOGYUSHZDVQDD-TVQRCGJNSA-N 1 0 379.873 2.058 20 0 GEADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000541209189 532750368 /nfs/dbraw/zinc/75/03/68/532750368.db2.gz FDYNCBNMFSGMBP-UHFFFAOYSA-N 1 0 387.933 2.324 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000411244300 532751769 /nfs/dbraw/zinc/75/17/69/532751769.db2.gz NFQPOYGQUJBJNP-LBPRGKRZSA-N 1 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/nfs/dbraw/zinc/75/34/73/532753473.db2.gz OAFPWMMMSYLQPY-GFCCVEGCSA-N 1 0 386.265 2.388 20 0 GEADRO C[C@@H](CCNC(=O)CCn1cc(Br)ccc1=O)[NH+]1CCCCC1 ZINC000541523778 532753931 /nfs/dbraw/zinc/75/39/31/532753931.db2.gz YWDVHFBBKSXEGT-AWEZNQCLSA-N 1 0 384.318 2.382 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(Cl)c(SC)c1 ZINC000411289491 532753927 /nfs/dbraw/zinc/75/39/27/532753927.db2.gz GIPFOJNEZKLGRE-ZDUSSCGKSA-N 1 0 387.933 2.473 20 0 GEADRO C[C@@H]1C[N@H+](CCCNCc2ncc(I)s2)CCCO1 ZINC000511765008 532775279 /nfs/dbraw/zinc/77/52/79/532775279.db2.gz KZBXXOQURJIEGK-LLVKDONJSA-N 1 0 395.310 2.338 20 0 GEADRO [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000269032032 532775335 /nfs/dbraw/zinc/77/53/35/532775335.db2.gz AWYNPPNVSBJNNZ-UKRRQHHQSA-N 1 0 383.275 2.419 20 0 GEADRO O=S1(=O)CCCN1C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000411834799 532776633 /nfs/dbraw/zinc/77/66/33/532776633.db2.gz QDBFFWBXTAKOIT-UHFFFAOYSA-N 1 0 376.881 2.358 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000269171526 532776759 /nfs/dbraw/zinc/77/67/59/532776759.db2.gz IWVYRNAUADJCBY-DYVFJYSZSA-N 1 0 386.323 2.435 20 0 GEADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512210245 532777057 /nfs/dbraw/zinc/77/70/57/532777057.db2.gz FKAYFKRHOZKDMR-CQSZACIVSA-N 1 0 376.284 2.488 20 0 GEADRO CC(C)(CN1CCOCC1)[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000308649683 532777259 /nfs/dbraw/zinc/77/72/59/532777259.db2.gz ZCCIYRJSLMFLDG-ZDUSSCGKSA-N 1 0 377.312 2.434 20 0 GEADRO NC(=O)[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000269243634 532777485 /nfs/dbraw/zinc/77/74/85/532777485.db2.gz YPVWUKDVDBOEIR-ZUWHDZRZSA-N 1 0 380.286 2.012 20 0 GEADRO C[C@H](C[NH3+])NC(=O)c1ccc(I)c(Br)c1 ZINC000309553435 532777615 /nfs/dbraw/zinc/77/76/15/532777615.db2.gz LGJFWAYQNWTEIJ-ZCFIWIBFSA-N 1 0 383.027 2.131 20 0 GEADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc(I)cc1 ZINC000310994798 532777630 /nfs/dbraw/zinc/77/76/30/532777630.db2.gz LYHWLHWOMATHSG-JTQLQIEISA-N 1 0 382.267 2.087 20 0 GEADRO C[C@@H](CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)cc1 ZINC000269242454 532777716 /nfs/dbraw/zinc/77/77/16/532777716.db2.gz AYEJZYIXXPRGQJ-BBRMVZONSA-N 1 0 396.329 2.399 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000269270852 532778194 /nfs/dbraw/zinc/77/81/94/532778194.db2.gz MENZEVQIVBODNA-ZDUSSCGKSA-N 1 0 375.922 2.130 20 0 GEADRO Cc1c(C(=O)NCc2csc(Br)c2)nnn1C1CC[NH2+]CC1 ZINC000269260613 532778431 /nfs/dbraw/zinc/77/84/31/532778431.db2.gz ZNJKSCHDHFMECK-UHFFFAOYSA-N 1 0 384.303 2.265 20 0 GEADRO [NH3+]C[C@H]1CN(Cc2ncc(Br)cc2Br)CCCO1 ZINC000313346337 532778992 /nfs/dbraw/zinc/77/89/92/532778992.db2.gz RJGZIANUCYVPDU-JTQLQIEISA-N 1 0 379.096 2.156 20 0 GEADRO COC(=O)[C@H]1CN(CCOc2cc(F)cc(Br)c2)CC[N@H+](C)C1 ZINC000411904282 532779216 /nfs/dbraw/zinc/77/92/16/532779216.db2.gz AQJVHHHMYNBDOP-GFCCVEGCSA-N 1 0 389.265 2.004 20 0 GEADRO COC(=O)[C@H]1CN(Cc2nc3ccc(Br)cc3o2)CC[N@H+](C)C1 ZINC000411917529 532779410 /nfs/dbraw/zinc/77/94/10/532779410.db2.gz NPCFOMSTTSJLJB-LLVKDONJSA-N 1 0 382.258 2.127 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000583073534 532764606 /nfs/dbraw/zinc/76/46/06/532764606.db2.gz OKMRWFCYEXDZRO-DGCLKSJQSA-N 1 0 386.315 2.274 20 0 GEADRO C[C@H](CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)n1cc(Br)cn1 ZINC000620979390 532764792 /nfs/dbraw/zinc/76/47/92/532764792.db2.gz FVWLEZRPANZTFV-HIFRSBDPSA-N 1 0 387.322 2.166 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)C2(c3cncc(Br)c3)CC2)CCO1 ZINC000620977555 532764827 /nfs/dbraw/zinc/76/48/27/532764827.db2.gz ZJHSJEKZFDBXMN-INIZCTEOSA-N 1 0 396.329 2.445 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN[C@@H](CCO)c2ccccc2Br)CC1 ZINC000411513977 532765160 /nfs/dbraw/zinc/76/51/60/532765160.db2.gz WBVZVHLELBIFQW-KRWDZBQOSA-N 1 0 398.345 2.063 20 0 GEADRO COc1ccc(Br)cc1CC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000268464357 532765293 /nfs/dbraw/zinc/76/52/93/532765293.db2.gz LIGLXDXVOAGYDS-UHFFFAOYSA-N 1 0 399.329 2.352 20 0 GEADRO COc1cccc(C[C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000542145744 532765474 /nfs/dbraw/zinc/76/54/74/532765474.db2.gz CZLOTGGFFLRGMH-NSHDSACASA-N 1 0 389.930 2.304 20 0 GEADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000451590166 532765902 /nfs/dbraw/zinc/76/59/02/532765902.db2.gz XVWPRCBVFDXAHA-YPMHNXCESA-N 1 0 394.273 2.246 20 0 GEADRO COCC[NH2+]C1CCN([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000584535030 532768295 /nfs/dbraw/zinc/76/82/95/532768295.db2.gz NTXSMSFLCOJDNV-ZDUSSCGKSA-N 1 0 384.318 2.477 20 0 GEADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000411909590 532779980 /nfs/dbraw/zinc/77/99/80/532779980.db2.gz FZQBHVFRYJQIID-WFASDCNBSA-N 1 0 389.279 2.244 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc(I)cc3)C[C@H]21 ZINC000584529914 532768405 /nfs/dbraw/zinc/76/84/05/532768405.db2.gz FFFIQNJNFYOYMI-NILFDRSVSA-N 1 0 399.276 2.289 20 0 GEADRO Cc1csc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1I ZINC000588813918 532770748 /nfs/dbraw/zinc/77/07/48/532770748.db2.gz WJCPYXRYJDOFGZ-UHFFFAOYSA-N 1 0 376.263 2.439 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000268805764 532771575 /nfs/dbraw/zinc/77/15/75/532771575.db2.gz IYUDCTMQVJMPML-QGZVFWFLSA-N 1 0 396.329 2.417 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000302692766 532771897 /nfs/dbraw/zinc/77/18/97/532771897.db2.gz WJXDKXDTPUGTFT-OAHLLOKOSA-N 1 0 384.567 2.208 20 0 GEADRO COCCN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268818345 532772327 /nfs/dbraw/zinc/77/23/27/532772327.db2.gz QUNQMDWQUWIKOP-CYBMUJFWSA-N 1 0 376.469 2.444 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cnc3ccc(Br)cc3c2O)C1 ZINC000542504710 532773668 /nfs/dbraw/zinc/77/36/68/532773668.db2.gz TUPLMSCIQFLJAT-LLVKDONJSA-N 1 0 378.270 2.362 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3c(F)cccc3Br)CC[C@H]21 ZINC000268992347 532774401 /nfs/dbraw/zinc/77/44/01/532774401.db2.gz GQLASNHBFNHDHW-SMDDNHRTSA-N 1 0 398.276 2.469 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000269011536 532774463 /nfs/dbraw/zinc/77/44/63/532774463.db2.gz XLVLEWADVVSWBG-SECBINFHSA-N 1 0 376.682 2.497 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000287074721 532782540 /nfs/dbraw/zinc/78/25/40/532782540.db2.gz RSSGJNVCIJAFRW-VIFPVBQESA-N 1 0 377.226 2.371 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nnnn1-c1ccccc1Br ZINC000287098978 532783433 /nfs/dbraw/zinc/78/34/33/532783433.db2.gz WHYZVFDGKCCXSV-UKRRQHHQSA-N 1 0 391.317 2.483 20 0 GEADRO C[C@@H](NC(=O)C[NH2+]C(C)(C)CN1CCOCC1)c1ccc(Br)cc1 ZINC000411999896 532783446 /nfs/dbraw/zinc/78/34/46/532783446.db2.gz CMWHIPXIIWGOOK-CQSZACIVSA-N 1 0 398.345 2.327 20 0 GEADRO CC(C)(CN1CCOCC1)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000412000516 532783536 /nfs/dbraw/zinc/78/35/36/532783536.db2.gz DRMYDHYFNAOIHS-UHFFFAOYSA-N 1 0 388.281 2.227 20 0 GEADRO CNC(=O)NC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000412056484 532784790 /nfs/dbraw/zinc/78/47/90/532784790.db2.gz SXDXGQXXNBSAHM-ZDUSSCGKSA-N 1 0 376.284 2.127 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(=O)n1C ZINC000287200212 532785899 /nfs/dbraw/zinc/78/58/99/532785899.db2.gz PJZRKLSAIZCSLD-DOMZBBRYSA-N 1 0 382.302 2.155 20 0 GEADRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000412080999 532785988 /nfs/dbraw/zinc/78/59/88/532785988.db2.gz LWJHSGGVMWOURH-NEPJUHHUSA-N 1 0 388.249 2.323 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000319724731 532786296 /nfs/dbraw/zinc/78/62/96/532786296.db2.gz VQPQGMNWUQRPIO-OAHLLOKOSA-N 1 0 389.315 2.222 20 0 GEADRO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000269720431 532788173 /nfs/dbraw/zinc/78/81/73/532788173.db2.gz UAZQENRWEDHFRJ-ZDUSSCGKSA-N 1 0 377.539 2.457 20 0 GEADRO COc1c(Br)cc(C[NH2+][C@@H]2COC[C@@H]2O)cc1Br ZINC000323467297 532788229 /nfs/dbraw/zinc/78/82/29/532788229.db2.gz WWRWIINIDIFSLW-MNOVXSKESA-N 1 0 381.064 2.070 20 0 GEADRO O=C(N[C@H]1CCCN(CC(F)(F)F)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412347645 532788740 /nfs/dbraw/zinc/78/87/40/532788740.db2.gz LONWNWIJDZKPLS-LSDHHAIUSA-N 1 0 379.492 2.347 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000548450311 532790393 /nfs/dbraw/zinc/79/03/93/532790393.db2.gz UGEYFFYBXZIXCD-CQSZACIVSA-N 1 0 390.933 2.375 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000458199755 532792590 /nfs/dbraw/zinc/79/25/90/532792590.db2.gz JLKISUZQZYAWHI-AWEZNQCLSA-N 1 0 380.539 2.500 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cn1 ZINC000458734314 532794449 /nfs/dbraw/zinc/79/44/49/532794449.db2.gz JTWJNWBHDDVVCN-TZMCWYRMSA-N 1 0 385.306 2.051 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000287443088 532795401 /nfs/dbraw/zinc/79/54/01/532795401.db2.gz CZLULNDMARWWHD-NSHDSACASA-N 1 0 376.835 2.351 20 0 GEADRO COCC1(O)CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000270348396 532796050 /nfs/dbraw/zinc/79/60/50/532796050.db2.gz GYDHJFSVXWAJRP-UHFFFAOYSA-N 1 0 389.265 2.390 20 0 GEADRO CCOc1cc(C[NH2+]C[C@H]2CCCCN2CCO)cc(Br)c1O ZINC000459569250 532796080 /nfs/dbraw/zinc/79/60/80/532796080.db2.gz MCCUTEHCVNUBTD-CQSZACIVSA-N 1 0 387.318 2.490 20 0 GEADRO CON1CCC([N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000459581455 532796276 /nfs/dbraw/zinc/79/62/76/532796276.db2.gz OPWCJKABMCADRF-OAHLLOKOSA-N 1 0 391.281 2.286 20 0 GEADRO NC(=O)Cn1cc(C[NH2+]CC2(c3ccc(Br)cc3Cl)CC2)nn1 ZINC000459597864 532796422 /nfs/dbraw/zinc/79/64/22/532796422.db2.gz WAKDPSJBVNFZSC-UHFFFAOYSA-N 1 0 398.692 2.001 20 0 GEADRO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000411905872 532780173 /nfs/dbraw/zinc/78/01/73/532780173.db2.gz BSBKHXNCDJUUFQ-VXGBXAGGSA-N 1 0 388.295 2.357 20 0 GEADRO O=C1c2ccccc2C(=O)N1CC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000514228899 532780568 /nfs/dbraw/zinc/78/05/68/532780568.db2.gz LQZBICTXUFAYQI-MRXNPFEDSA-N 1 0 389.249 2.368 20 0 GEADRO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000411918249 532780534 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CN1CCO[C@H]([C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)c2ccc(Cl)cc2)C1 ZINC000287067674 532781604 /nfs/dbraw/zinc/78/16/04/532781604.db2.gz NWXIKSZQDKDRCP-JCGIZDLHSA-N 1 0 386.945 2.126 20 0 GEADRO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000287065713 532781775 /nfs/dbraw/zinc/78/17/75/532781775.db2.gz NTQNSJLCYBNGKI-UKRRQHHQSA-N 1 0 380.539 2.302 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3CCOc4c(Br)cccc43)CC2)N1 ZINC000554559617 532805165 /nfs/dbraw/zinc/80/51/65/532805165.db2.gz NJSCVQXQVSAVSA-OPEGHZNSSA-N 1 0 394.269 2.383 20 0 GEADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)s1 ZINC000271231339 532805233 /nfs/dbraw/zinc/80/52/33/532805233.db2.gz URZLMHZPUJLGOC-AWEZNQCLSA-N 1 0 389.587 2.071 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc(Br)cc3O)[C@H]2C1 ZINC000329382351 532806567 /nfs/dbraw/zinc/80/65/67/532806567.db2.gz OJHSOCZGCRCGFY-GOEBONIOSA-N 1 0 383.286 2.019 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCC(C)(C)S(C)(=O)=O)C1 ZINC000413118062 532806742 /nfs/dbraw/zinc/80/67/42/532806742.db2.gz YUVWHIYCPMJFDY-HZPDHXFCSA-N 1 0 375.579 2.257 20 0 GEADRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCOC2)nnn1-c1cccc(Br)c1 ZINC000271540778 532808216 /nfs/dbraw/zinc/80/82/16/532808216.db2.gz SPNLJPXLQIAUNR-MEDUHNTESA-N 1 0 381.274 2.140 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000556665068 532811372 /nfs/dbraw/zinc/81/13/72/532811372.db2.gz VHRJCCURJXCHRH-UHFFFAOYSA-N 1 0 395.305 2.735 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(C)Cc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000556368692 532810747 /nfs/dbraw/zinc/81/07/47/532810747.db2.gz MHCZZMJYRFDDMJ-CQSZACIVSA-N 1 0 396.329 2.256 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cn(C)cn1 ZINC000459668799 532797430 /nfs/dbraw/zinc/79/74/30/532797430.db2.gz UEBNAIRKACNZOQ-LBPRGKRZSA-N 1 0 395.301 2.028 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000551628695 532801460 /nfs/dbraw/zinc/80/14/60/532801460.db2.gz TYGOYJMAQYDXPP-AWEZNQCLSA-N 1 0 398.345 2.297 20 0 GEADRO O=S1(=O)CCC(O)(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000329151406 532802813 /nfs/dbraw/zinc/80/28/13/532802813.db2.gz ACZOKHVRZCGJJL-CQSZACIVSA-N 1 0 384.567 2.141 20 0 GEADRO O=C1[C@@H](N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccc(Cl)cc1Cl ZINC000329161995 532803144 /nfs/dbraw/zinc/80/31/44/532803144.db2.gz FVTDHRNTOFKBOI-NZVBXONLSA-N 1 0 389.304 2.218 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000329203901 532803738 /nfs/dbraw/zinc/80/37/38/532803738.db2.gz CXPDVYIDHNBZCK-TZMCWYRMSA-N 1 0 386.901 2.359 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc(S[C@H]3CCOC3=O)cc2)C[C@H]1[NH+](C)C ZINC000271155820 532803830 /nfs/dbraw/zinc/80/38/30/532803830.db2.gz QWZLFAFJUWGIIM-OWCLPIDISA-N 1 0 380.535 2.212 20 0 GEADRO CS[C@@H]1CN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C[C@H]1[NH+](C)C ZINC000271189786 532804307 /nfs/dbraw/zinc/80/43/07/532804307.db2.gz VTSFGMQMYPBGOX-CHWSQXEVSA-N 1 0 384.571 2.174 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000287647921 532804810 /nfs/dbraw/zinc/80/48/10/532804810.db2.gz QDLOXDSHZKZSRB-GFCCVEGCSA-N 1 0 376.835 2.351 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329284208 532804844 /nfs/dbraw/zinc/80/48/44/532804844.db2.gz LKBUYCFRJALZLI-CYBMUJFWSA-N 1 0 386.901 2.360 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N[C@H](C)C[N@@H+]3CCC[C@H](C)C3)cnc2c1Cl ZINC000329942528 532813129 /nfs/dbraw/zinc/81/31/29/532813129.db2.gz VRHJTZCKUZWVDP-NWDGAFQWSA-N 1 0 385.921 2.090 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000287859859 532811534 /nfs/dbraw/zinc/81/15/34/532811534.db2.gz FLMNDUHLBQLYFV-SNVBAGLBSA-N 1 0 377.819 2.379 20 0 GEADRO O=C(Cc1c[nH]c2cc(Br)ccc12)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413795747 532814929 /nfs/dbraw/zinc/81/49/29/532814929.db2.gz BXAUVGZUFYRVER-OAHLLOKOSA-N 1 0 394.313 2.436 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1Br ZINC000272381595 532814941 /nfs/dbraw/zinc/81/49/41/532814941.db2.gz HTVZJFFTYIXLHY-SMDDNHRTSA-N 1 0 389.315 2.172 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)/C=C\C[NH+](C)C ZINC000272408784 532815185 /nfs/dbraw/zinc/81/51/85/532815185.db2.gz WAMILTUOTDPICW-WAYWQWQTSA-N 1 0 379.404 2.468 20 0 GEADRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000330171553 532815319 /nfs/dbraw/zinc/81/53/19/532815319.db2.gz FOCSAZJYPWSLJR-GDBMZVCRSA-N 1 0 386.587 2.324 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(F)ccc3Br)[C@H]2C1 ZINC000272399760 532815380 /nfs/dbraw/zinc/81/53/80/532815380.db2.gz ZFIJXXQHLMCPND-HZMBPMFUSA-N 1 0 384.249 2.079 20 0 GEADRO C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272375333 532814470 /nfs/dbraw/zinc/81/44/70/532814470.db2.gz HAIBUJNMECZQOX-DZGCQCFKSA-N 1 0 382.917 2.262 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ncc1Br ZINC000288009440 532814581 /nfs/dbraw/zinc/81/45/81/532814581.db2.gz HEOVODCFCRULQH-QWHCGFSZSA-N 1 0 395.301 2.176 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(Br)ccc3F)[C@@H]2C1 ZINC000272368640 532814725 /nfs/dbraw/zinc/81/47/25/532814725.db2.gz UJSJMCOPXVAYFH-IINYFYTJSA-N 1 0 384.249 2.079 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(Br)n1 ZINC000288104159 532817640 /nfs/dbraw/zinc/81/76/40/532817640.db2.gz MLBWICUHHQOUIF-STQMWFEESA-N 1 0 395.301 2.176 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000272481131 532815754 /nfs/dbraw/zinc/81/57/54/532815754.db2.gz GBTAIWKEOJLQIW-UHFFFAOYSA-N 1 0 387.933 2.145 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1Br ZINC000272460783 532815957 /nfs/dbraw/zinc/81/59/57/532815957.db2.gz RTGWELCHLARNHT-RISCZKNCSA-N 1 0 389.315 2.172 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000288053246 532816142 /nfs/dbraw/zinc/81/61/42/532816142.db2.gz FIONRRZMKAQHQB-SWLSCSKDSA-N 1 0 380.286 2.473 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1cc(Br)cs1)[N@H+](C)C1CC1 ZINC000288097819 532817095 /nfs/dbraw/zinc/81/70/95/532817095.db2.gz WSTRRHCWOLLMPX-JTQLQIEISA-N 1 0 388.331 2.068 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000414074646 532818463 /nfs/dbraw/zinc/81/84/63/532818463.db2.gz OEZGOBWXLAKHBW-GDBMZVCRSA-N 1 0 379.298 2.440 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000288148945 532818502 /nfs/dbraw/zinc/81/85/02/532818502.db2.gz MBQXHAVGOVRXHQ-QMMMGPOBSA-N 1 0 396.207 2.473 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN(C)CC(F)(F)F ZINC000414062065 532818876 /nfs/dbraw/zinc/81/88/76/532818876.db2.gz KWLFNMPGHGUKEY-NSHDSACASA-N 1 0 384.240 2.473 20 0 GEADRO Cc1cc(Cl)cc(Br)c1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000414139437 532819546 /nfs/dbraw/zinc/81/95/46/532819546.db2.gz IIOPPXGKTLMGOV-ZDUSSCGKSA-N 1 0 377.710 2.398 20 0 GEADRO O[C@H](C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)Cn1ccnn1 ZINC000414182525 532819880 /nfs/dbraw/zinc/81/98/80/532819880.db2.gz MRMGEHOGLXWCQD-GDBMZVCRSA-N 1 0 377.242 2.374 20 0 GEADRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ncc(Br)s1 ZINC000414162963 532819971 /nfs/dbraw/zinc/81/99/71/532819971.db2.gz FHNCJENMCUCSBF-LBPRGKRZSA-N 1 0 390.347 2.438 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000273145007 532820223 /nfs/dbraw/zinc/82/02/23/532820223.db2.gz VDOHBABQABJBBR-GFCCVEGCSA-N 1 0 397.317 2.472 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000288188770 532820242 /nfs/dbraw/zinc/82/02/42/532820242.db2.gz POESLZNNWVQKKR-AWEZNQCLSA-N 1 0 375.485 2.176 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cnn2cc(Br)cnc12 ZINC000288182100 532820247 /nfs/dbraw/zinc/82/02/47/532820247.db2.gz BPPHPYXKNHUNOL-WCQYABFASA-N 1 0 378.274 2.191 20 0 GEADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000414200738 532820465 /nfs/dbraw/zinc/82/04/65/532820465.db2.gz XQACZQWOSXWIHL-HCKVZZMMSA-N 1 0 383.315 2.474 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000330419917 532818064 /nfs/dbraw/zinc/81/80/64/532818064.db2.gz CVCMHKOVMVLNJD-CYBMUJFWSA-N 1 0 377.913 2.477 20 0 GEADRO Cn1ncc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1Br ZINC000273201791 532820777 /nfs/dbraw/zinc/82/07/77/532820777.db2.gz KAJIPYDFRYAGOZ-UHFFFAOYSA-N 1 0 387.347 2.274 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)s1 ZINC000414251411 532821435 /nfs/dbraw/zinc/82/14/35/532821435.db2.gz CDEMBNSUGZBFND-CQSZACIVSA-N 1 0 386.564 2.376 20 0 GEADRO C[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(Br)cc1F ZINC000414356163 532821791 /nfs/dbraw/zinc/82/17/91/532821791.db2.gz YQWWNUHBBZWDPG-JTQLQIEISA-N 1 0 384.253 2.410 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000288252348 532822094 /nfs/dbraw/zinc/82/20/94/532822094.db2.gz SVYUXUWEIHOXGZ-TZMCWYRMSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)Nc1ccc(F)cc1Cl ZINC000330614163 532822429 /nfs/dbraw/zinc/82/24/29/532822429.db2.gz SPQXNFOBGLLHBX-COLVAYQJSA-N 1 0 391.896 2.256 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C[C@H]1C ZINC000330609048 532822604 /nfs/dbraw/zinc/82/26/04/532822604.db2.gz LRSZNUDWCULTTB-CHWSQXEVSA-N 1 0 384.311 2.461 20 0 GEADRO CC1(C)C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000414371846 532822681 /nfs/dbraw/zinc/82/26/81/532822681.db2.gz YSIFBJPCAUSEEF-NSHDSACASA-N 1 0 377.304 2.144 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000330617633 532822851 /nfs/dbraw/zinc/82/28/51/532822851.db2.gz XEZOEXJQPUQALF-GJZGRUSLSA-N 1 0 391.331 2.278 20 0 GEADRO COCCN1CC[C@@H]([NH2+]CCc2cn3cc(Br)cc(C)c3n2)C1 ZINC000273410879 532823181 /nfs/dbraw/zinc/82/31/81/532823181.db2.gz HUSFEWPTHYOLKY-OAHLLOKOSA-N 1 0 381.318 2.258 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000288306511 532824509 /nfs/dbraw/zinc/82/45/09/532824509.db2.gz WAZVWTCPTBKWKL-UHFFFAOYSA-N 1 0 375.922 2.211 20 0 GEADRO CC[C@H]1CN(C(=O)c2ccc(OC)c(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000330685570 532825883 /nfs/dbraw/zinc/82/58/83/532825883.db2.gz LLURORMLXDDCLB-JSGCOSHPSA-N 1 0 385.302 2.375 20 0 GEADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000288395244 532826036 /nfs/dbraw/zinc/82/60/36/532826036.db2.gz PZFNBTIGQPRUBI-GJZGRUSLSA-N 1 0 388.555 2.021 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)C[C@H]1[NH+]1CCCC1 ZINC000273529773 532826393 /nfs/dbraw/zinc/82/63/93/532826393.db2.gz QYYUNRHZSWGCAW-HZPDHXFCSA-N 1 0 377.539 2.040 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccccc3)C2)s1 ZINC000414453584 532828262 /nfs/dbraw/zinc/82/82/62/532828262.db2.gz REDVOWZHGZPPEV-OAHLLOKOSA-N 1 0 378.519 2.085 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cncnc2)CC1 ZINC000273679581 532830654 /nfs/dbraw/zinc/83/06/54/532830654.db2.gz YWFUZCAMHLMWLS-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288484604 532829405 /nfs/dbraw/zinc/82/94/05/532829405.db2.gz ADXNGHPKDCUBDW-HZMBPMFUSA-N 1 0 378.523 2.414 20 0 GEADRO COc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000330993771 532831478 /nfs/dbraw/zinc/83/14/78/532831478.db2.gz HWKICNPIIITNOO-KGLIPLIRSA-N 1 0 391.331 2.408 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)s1 ZINC000288567714 532831516 /nfs/dbraw/zinc/83/15/16/532831516.db2.gz RHNSOYPDWBPLJY-ZFWWWQNUSA-N 1 0 385.555 2.310 20 0 GEADRO COc1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1O ZINC000273709920 532832121 /nfs/dbraw/zinc/83/21/21/532832121.db2.gz FZOLMXHKXMNMNB-CYBMUJFWSA-N 1 0 385.302 2.317 20 0 GEADRO O=c1nc(C2CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)[nH][nH]1 ZINC000288576458 532832135 /nfs/dbraw/zinc/83/21/35/532832135.db2.gz BAROWBZWDRUGEX-LBPRGKRZSA-N 1 0 387.267 2.024 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)s1 ZINC000288567709 532831287 /nfs/dbraw/zinc/83/12/87/532831287.db2.gz RHNSOYPDWBPLJY-DZGCQCFKSA-N 1 0 385.555 2.310 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000414750050 532834631 /nfs/dbraw/zinc/83/46/31/532834631.db2.gz QKHQQVZPNNOHLV-WMLDXEAASA-N 1 0 396.329 2.020 20 0 GEADRO CC(C)C[C@H]([NH3+])CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000414726810 532834877 /nfs/dbraw/zinc/83/48/77/532834877.db2.gz AHJCSUMHMCYRSG-ZDUSSCGKSA-N 1 0 377.913 2.159 20 0 GEADRO C[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000288641928 532833463 /nfs/dbraw/zinc/83/34/63/532833463.db2.gz NMAFIRZDUXMGJY-LLVKDONJSA-N 1 0 388.281 2.405 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414928974 532836067 /nfs/dbraw/zinc/83/60/67/532836067.db2.gz NYKQCQNVABPNHH-OCCSQVGLSA-N 1 0 397.317 2.405 20 0 GEADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)ncc1F)CC2 ZINC000273857710 532836107 /nfs/dbraw/zinc/83/61/07/532836107.db2.gz LQEFQSXNJZOIGC-ZJUUUORDSA-N 1 0 384.253 2.387 20 0 GEADRO [NH3+]Cc1cc(NC(=O)C(=O)NCC2CCSCC2)cc(C(F)(F)F)c1 ZINC000414831364 532835034 /nfs/dbraw/zinc/83/50/34/532835034.db2.gz NGABPIBPQVSJIP-UHFFFAOYSA-N 1 0 375.416 2.362 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000331186094 532835115 /nfs/dbraw/zinc/83/51/15/532835115.db2.gz NJJXOAYSOXUEPZ-UONOGXRCSA-N 1 0 394.324 2.382 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2Br)CCO1 ZINC000414786172 532835485 /nfs/dbraw/zinc/83/54/85/532835485.db2.gz WZTHSCFIPIRFGN-SECBINFHSA-N 1 0 393.079 2.403 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000414794048 532835572 /nfs/dbraw/zinc/83/55/72/532835572.db2.gz VGGPXJMKPXYICI-LLVKDONJSA-N 1 0 380.798 2.306 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCn1cc(Br)cn1 ZINC000288744296 532837095 /nfs/dbraw/zinc/83/70/95/532837095.db2.gz CJHUUVBNUSODLK-ZDUSSCGKSA-N 1 0 386.338 2.407 20 0 GEADRO CN(Cc1cc(Br)ccc1OCc1ccccn1)C[C@H](O)C[NH3+] ZINC000415063801 532837365 /nfs/dbraw/zinc/83/73/65/532837365.db2.gz AZNSLDCKQVJINB-MRXNPFEDSA-N 1 0 380.286 2.175 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000415076075 532837507 /nfs/dbraw/zinc/83/75/07/532837507.db2.gz RHELBTWYQLDJQQ-GFCCVEGCSA-N 1 0 375.210 2.159 20 0 GEADRO COc1ccc(I)c(NC(=O)N2CCC([NH3+])CC2)c1 ZINC000415076102 532837524 /nfs/dbraw/zinc/83/75/24/532837524.db2.gz RJHOSZZDDLDZRU-UHFFFAOYSA-N 1 0 375.210 2.255 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000415076077 532837552 /nfs/dbraw/zinc/83/75/52/532837552.db2.gz RHELBTWYQLDJQQ-LBPRGKRZSA-N 1 0 375.210 2.159 20 0 GEADRO CS[C@@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@H]1[NH+]1CCCC1 ZINC000273947652 532837693 /nfs/dbraw/zinc/83/76/93/532837693.db2.gz DRLSBGFDEHFPAJ-HZPDHXFCSA-N 1 0 378.929 2.360 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cc(F)c(I)c(F)c1 ZINC000415122180 532838055 /nfs/dbraw/zinc/83/80/55/532838055.db2.gz NPEAXPUFQJKZPH-SSDOTTSWSA-N 1 0 381.164 2.443 20 0 GEADRO O=C1N[C@@H]2CN(Cc3ccc(Br)s3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415138755 532838513 /nfs/dbraw/zinc/83/85/13/532838513.db2.gz KNRIPLHMZUDBJP-ZIAGYGMSSA-N 1 0 399.358 2.231 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000331390000 532838680 /nfs/dbraw/zinc/83/86/80/532838680.db2.gz LOTRWRFLRAIIBG-WQVCFCJDSA-N 1 0 381.929 2.152 20 0 GEADRO O=C1N[C@@H]2CN(Cc3ccccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415144140 532838925 /nfs/dbraw/zinc/83/89/25/532838925.db2.gz UOBUDACHEFPNOR-SJORKVTESA-N 1 0 393.329 2.169 20 0 GEADRO C[C@@H]1CCSCCN1C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415172694 532839008 /nfs/dbraw/zinc/83/90/08/532839008.db2.gz OQZHBFULNBDKAZ-SNVBAGLBSA-N 1 0 375.416 2.457 20 0 GEADRO Ic1cncc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1 ZINC000273985697 532839041 /nfs/dbraw/zinc/83/90/41/532839041.db2.gz MMZOFIYICQKYEX-RYUDHWBXSA-N 1 0 398.204 2.272 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000415204738 532839322 /nfs/dbraw/zinc/83/93/22/532839322.db2.gz XTTMEKKKBGPOSV-QJPTWQEYSA-N 1 0 386.905 2.221 20 0 GEADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000274001014 532839492 /nfs/dbraw/zinc/83/94/92/532839492.db2.gz DVYSKATVRVJFTO-UHFFFAOYSA-N 1 0 389.587 2.169 20 0 GEADRO [NH3+]C[C@@H](NC(=O)Nc1cc(F)c(F)cc1I)C1CC1 ZINC000415238765 532839555 /nfs/dbraw/zinc/83/95/55/532839555.db2.gz MLCQWWPWHGCZJG-LLVKDONJSA-N 1 0 381.164 2.428 20 0 GEADRO CC[C@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)Cc1cccc(Br)c1 ZINC000288832583 532839675 /nfs/dbraw/zinc/83/96/75/532839675.db2.gz VBNKRYQOCXRZTP-WFASDCNBSA-N 1 0 385.302 2.415 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC000415270002 532839868 /nfs/dbraw/zinc/83/98/68/532839868.db2.gz PTXHITRKAHGMSH-JTQLQIEISA-N 1 0 379.766 2.169 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000331452826 532839937 /nfs/dbraw/zinc/83/99/37/532839937.db2.gz ZLESEHJDZRDBCL-OAHLLOKOSA-N 1 0 386.901 2.376 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)c(Br)cc2F)C1 ZINC000415283663 532840474 /nfs/dbraw/zinc/84/04/74/532840474.db2.gz OLBHVCYBBODIPK-LLVKDONJSA-N 1 0 386.265 2.293 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331456483 532840482 /nfs/dbraw/zinc/84/04/82/532840482.db2.gz UJUFQSQTJDGRAU-MRXNPFEDSA-N 1 0 384.249 2.129 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415281714 532840496 /nfs/dbraw/zinc/84/04/96/532840496.db2.gz LKUJNVMTPFOQGC-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000288856478 532840571 /nfs/dbraw/zinc/84/05/71/532840571.db2.gz XGWRTNWZWONHFP-AWEZNQCLSA-N 1 0 387.249 2.360 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415287729 532840747 /nfs/dbraw/zinc/84/07/47/532840747.db2.gz WYRDGTISVNSSJS-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2ncsc2Br)ccn1 ZINC000288873165 532841000 /nfs/dbraw/zinc/84/10/00/532841000.db2.gz QXEJWTGLHKALAQ-UHFFFAOYSA-N 1 0 385.287 2.171 20 0 GEADRO CN(C(=O)C(=O)Nc1cccc2cc(Br)cnc21)C1CC[NH2+]CC1 ZINC000415318653 532841084 /nfs/dbraw/zinc/84/10/84/532841084.db2.gz HBWIYKQGXSKHGJ-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)cc1Br)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415313892 532841325 /nfs/dbraw/zinc/84/13/25/532841325.db2.gz 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532842611 /nfs/dbraw/zinc/84/26/11/532842611.db2.gz RJCQOVAGIGMWDP-UHFFFAOYSA-N 1 0 376.201 2.052 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000415354381 532842622 /nfs/dbraw/zinc/84/26/22/532842622.db2.gz MOQULBAHBPYSKB-UHFFFAOYSA-N 1 0 380.286 2.262 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N(C)C[C@@H](O)C[NH3+])c1C ZINC000415362890 532842642 /nfs/dbraw/zinc/84/26/42/532842642.db2.gz CMXVILIIXICPDP-AWEZNQCLSA-N 1 0 396.289 2.035 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1OCC ZINC000415362091 532842763 /nfs/dbraw/zinc/84/27/63/532842763.db2.gz ALXODGSGDUXDMB-UHFFFAOYSA-N 1 0 392.681 2.165 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc(F)c2I)CCCO1 ZINC000415364428 532843033 /nfs/dbraw/zinc/84/30/33/532843033.db2.gz RZFCZKULMOLGQE-SECBINFHSA-N 1 0 393.200 2.012 20 0 GEADRO Cc1ccc(Br)c(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000415369075 532843161 /nfs/dbraw/zinc/84/31/61/532843161.db2.gz OHLWPTHJZFFFHP-GFCCVEGCSA-N 1 0 383.290 2.076 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000415390292 532843409 /nfs/dbraw/zinc/84/34/09/532843409.db2.gz UNFWYKZLXCXXSG-SECBINFHSA-N 1 0 375.803 2.466 20 0 GEADRO COC(=O)c1ccc(OC(C)C)c(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000359926905 206270053 /nfs/dbraw/zinc/27/00/53/206270053.db2.gz JAFWUQRFMKJDKV-CVEARBPZSA-N 1 0 391.468 2.245 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415383811 532843421 /nfs/dbraw/zinc/84/34/21/532843421.db2.gz YCWUWSYCGVAGLK-NSHDSACASA-N 1 0 375.416 2.332 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)COCC2)[NH+]1CCCCCC1 ZINC000359996443 206277472 /nfs/dbraw/zinc/27/74/72/206277472.db2.gz GZVXWAZRWLZTTN-LJQANCHMSA-N 1 0 388.512 2.110 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274188234 532843615 /nfs/dbraw/zinc/84/36/15/532843615.db2.gz QFONFGLZNIWFHP-QGZVFWFLSA-N 1 0 376.507 2.211 20 0 GEADRO Cc1cc(F)c(NC(=O)NC[C@H]2CC[NH2+]C2)c(I)c1 ZINC000415393631 532843995 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C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)CC[NH2+]1 ZINC000415409447 532844395 /nfs/dbraw/zinc/84/43/95/532844395.db2.gz DKVJNTDCYPHRIV-MRVPVSSYSA-N 1 0 394.191 2.227 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c(Br)c1 ZINC000415425383 532844739 /nfs/dbraw/zinc/84/47/39/532844739.db2.gz KSWQFNGQBWNAGC-HNNXBMFYSA-N 1 0 398.301 2.420 20 0 GEADRO COC[C@H](CCO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000274220803 532844816 /nfs/dbraw/zinc/84/48/16/532844816.db2.gz PTPSCMBSWCGCOE-JTQLQIEISA-N 1 0 382.096 2.281 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c(Br)c1 ZINC000415425384 532844819 /nfs/dbraw/zinc/84/48/19/532844819.db2.gz KSWQFNGQBWNAGC-OAHLLOKOSA-N 1 0 398.301 2.420 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000331834619 532845247 /nfs/dbraw/zinc/84/52/47/532845247.db2.gz YQSLWSYWHYEMOM-LBPRGKRZSA-N 1 0 386.905 2.080 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC[C@H]1[NH3+] ZINC000415439388 532845353 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2.466 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415463883 532846556 /nfs/dbraw/zinc/84/65/56/532846556.db2.gz KOUNYSULERYFSL-UHFFFAOYSA-N 1 0 382.180 2.260 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000331914469 532846655 /nfs/dbraw/zinc/84/66/55/532846655.db2.gz NKFLGBVYGBTFQN-VXGBXAGGSA-N 1 0 378.274 2.194 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415493765 532847373 /nfs/dbraw/zinc/84/73/73/532847373.db2.gz YWYNGLLBKUTLRE-CMPLNLGQSA-N 1 0 379.262 2.149 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(Br)c1 ZINC000415487583 532847388 /nfs/dbraw/zinc/84/73/88/532847388.db2.gz NBAZRIKDAIRTBN-CYBMUJFWSA-N 1 0 386.290 2.228 20 0 GEADRO CCCCS[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274313952 532847506 /nfs/dbraw/zinc/84/75/06/532847506.db2.gz VVECBZHKJVLDND-AWEZNQCLSA-N 1 0 387.571 2.387 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000415493889 532847280 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COCC[NH2+]CCNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415524437 532848763 /nfs/dbraw/zinc/84/87/63/532848763.db2.gz SJRFMELJCYBBDU-UHFFFAOYSA-N 1 0 396.289 2.051 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000274373424 532848928 /nfs/dbraw/zinc/84/89/28/532848928.db2.gz BSRHKYCHIAEIQN-UHFFFAOYSA-N 1 0 386.949 2.329 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415522461 532848937 /nfs/dbraw/zinc/84/89/37/532848937.db2.gz WASZAKRTDDBXNB-UHFFFAOYSA-N 1 0 380.645 2.296 20 0 GEADRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000332098397 532849064 /nfs/dbraw/zinc/84/90/64/532849064.db2.gz BJDYXOWQJXQMOD-OAHLLOKOSA-N 1 0 397.317 2.494 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)C1CC1 ZINC000415537845 532849457 /nfs/dbraw/zinc/84/94/57/532849457.db2.gz QGLOTDCEMIQJEC-LLVKDONJSA-N 1 0 394.191 2.260 20 0 GEADRO CCOc1ccc(NC(=O)NCCCN2CC[NH2+]CC2)cc1Br ZINC000415536842 532849468 /nfs/dbraw/zinc/84/94/68/532849468.db2.gz NOYIABFRZPTERF-UHFFFAOYSA-N 1 0 385.306 2.265 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000415533888 532849497 /nfs/dbraw/zinc/84/94/97/532849497.db2.gz BMSPCXIXHGVOSG-QYJAPNMZSA-N 1 0 396.285 2.138 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000415544972 532849523 /nfs/dbraw/zinc/84/95/23/532849523.db2.gz VFTUFLZTNHHOQY-FOSCPWQOSA-N 1 0 396.285 2.138 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415553577 532849840 /nfs/dbraw/zinc/84/98/40/532849840.db2.gz GNKQQLZPKVRQIX-WDEREUQCSA-N 1 0 391.269 2.145 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000415558293 532849919 /nfs/dbraw/zinc/84/99/19/532849919.db2.gz XRKNJAXCCBZLRH-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415561679 532850294 /nfs/dbraw/zinc/85/02/94/532850294.db2.gz GLHNXATULNJLOJ-IUCAKERBSA-N 1 0 379.766 2.373 20 0 GEADRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000274453927 532850603 /nfs/dbraw/zinc/85/06/03/532850603.db2.gz ZJSWFZFTVKAUSH-CYBMUJFWSA-N 1 0 380.539 2.132 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415577238 532850789 /nfs/dbraw/zinc/85/07/89/532850789.db2.gz YXSNGVXPKVWRMR-NEPJUHHUSA-N 1 0 398.301 2.384 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)c1Br ZINC000415570550 532850401 /nfs/dbraw/zinc/85/04/01/532850401.db2.gz MBRZUDJCSYNVNH-MRXNPFEDSA-N 1 0 386.265 2.341 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415580107 532851082 /nfs/dbraw/zinc/85/10/82/532851082.db2.gz QYBLFECYVZSLPP-NXEZZACHSA-N 1 0 375.803 2.118 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(Br)c(F)cc1C(=O)OC ZINC000415632970 532851692 /nfs/dbraw/zinc/85/16/92/532851692.db2.gz YSBKPLFETDHTBK-QMMMGPOBSA-N 1 0 376.226 2.352 20 0 GEADRO O=C(Cc1cccc(I)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289264344 532851527 /nfs/dbraw/zinc/85/15/27/532851527.db2.gz OQBBRKRPJQUKCP-INIZCTEOSA-N 1 0 384.261 2.436 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415635087 532851962 /nfs/dbraw/zinc/85/19/62/532851962.db2.gz AZJLBJHVVQXUAG-RYUDHWBXSA-N 1 0 384.274 2.091 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415648760 532852069 /nfs/dbraw/zinc/85/20/69/532852069.db2.gz PBPUDUPDUMBEAS-WDEREUQCSA-N 1 0 391.269 2.322 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415661169 532852531 /nfs/dbraw/zinc/85/25/31/532852531.db2.gz XFWIOTFHYQBZIC-HTQZYQBOSA-N 1 0 376.201 2.052 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415663612 532852584 /nfs/dbraw/zinc/85/25/84/532852584.db2.gz YUIBNDFIKSPKIC-SECBINFHSA-N 1 0 381.782 2.334 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415664253 532852718 /nfs/dbraw/zinc/85/27/18/532852718.db2.gz COAQOGVOFDSRAI-HZMBPMFUSA-N 1 0 380.286 2.133 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000415678499 532853137 /nfs/dbraw/zinc/85/31/37/532853137.db2.gz QNHXWUYTXZQFSM-GFCCVEGCSA-N 1 0 386.265 2.421 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1F ZINC000415677391 532853181 /nfs/dbraw/zinc/85/31/81/532853181.db2.gz MRFYDLRNHTZABZ-LLVKDONJSA-N 1 0 386.265 2.423 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1nc2c(s1)CCCC2 ZINC000332355074 532852829 /nfs/dbraw/zinc/85/28/29/532852829.db2.gz VTGVQKRIXXTRSX-KGLIPLIRSA-N 1 0 386.587 2.333 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c(F)cc1Br ZINC000415672712 532853281 /nfs/dbraw/zinc/85/32/81/532853281.db2.gz BHDHETVDXOYGSR-LLVKDONJSA-N 1 0 386.265 2.423 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332374842 532853641 /nfs/dbraw/zinc/85/36/41/532853641.db2.gz SVBZYZUSHWUREO-MISXGVKJSA-N 1 0 398.276 2.421 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000415681523 532853663 /nfs/dbraw/zinc/85/36/63/532853663.db2.gz WXLFKICJKKXAKQ-CQSZACIVSA-N 1 0 398.301 2.291 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000415680799 532853673 /nfs/dbraw/zinc/85/36/73/532853673.db2.gz VDTSJJZYNAPHBC-ZDUSSCGKSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000415682816 532853707 /nfs/dbraw/zinc/85/37/07/532853707.db2.gz SBLBAHRBXGTCPM-WDEREUQCSA-N 1 0 391.269 2.193 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000289362162 532853244 /nfs/dbraw/zinc/85/32/44/532853244.db2.gz ZIXBRYLJOMFIOZ-LSDHHAIUSA-N 1 0 396.329 2.031 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415696728 532853940 /nfs/dbraw/zinc/85/39/40/532853940.db2.gz VBSRPPNLFGXTKC-KRWDZBQOSA-N 1 0 391.269 2.133 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415698796 532854072 /nfs/dbraw/zinc/85/40/72/532854072.db2.gz ZFIIHKGVFXPAFE-KRWDZBQOSA-N 1 0 391.269 2.133 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1F ZINC000332388157 532854119 /nfs/dbraw/zinc/85/41/19/532854119.db2.gz WOEBLHLFDFDPQW-DMDPSCGWSA-N 1 0 398.276 2.421 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415725468 532854497 /nfs/dbraw/zinc/85/44/97/532854497.db2.gz OAQCALRNHBTFOD-WKEGUHRASA-N 1 0 378.629 2.128 20 0 GEADRO COc1c(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc(Cl)cc1C(=O)N(C)C ZINC000415709983 532854655 /nfs/dbraw/zinc/85/46/55/532854655.db2.gz YURPWVFNDXLZNS-JTQLQIEISA-N 1 0 378.807 2.154 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000332390957 532854305 /nfs/dbraw/zinc/85/43/05/532854305.db2.gz WYZNAEHFYVDKLJ-CYBMUJFWSA-N 1 0 387.933 2.098 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1cccc2cc(Br)cnc21 ZINC000415722195 532854385 /nfs/dbraw/zinc/85/43/85/532854385.db2.gz KHVQPLFMCBSAIB-UHFFFAOYSA-N 1 0 378.274 2.024 20 0 GEADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415733201 532855061 /nfs/dbraw/zinc/85/50/61/532855061.db2.gz AYBDFVVAMWINPX-ZJUUUORDSA-N 1 0 375.778 2.365 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)NC1CC[NH2+]CC1 ZINC000415728850 532855099 /nfs/dbraw/zinc/85/50/99/532855099.db2.gz SFAOGHXQTVYLAL-UHFFFAOYSA-N 1 0 386.246 2.118 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000415724676 532854730 /nfs/dbraw/zinc/85/47/30/532854730.db2.gz MWCFWNRLVZXJTE-VIFPVBQESA-N 1 0 386.246 2.199 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl)C1C[NH2+]C1 ZINC000415739175 532854899 /nfs/dbraw/zinc/85/48/99/532854899.db2.gz USHYCZHUCRGTKY-UHFFFAOYSA-N 1 0 381.057 2.125 20 0 GEADRO CCC[NH2+]CCNC(=O)Nc1cc(OC)c(Br)cc1C(=O)OC ZINC000415728288 532855003 /nfs/dbraw/zinc/85/50/03/532855003.db2.gz RVOCMTMTMHSBTK-UHFFFAOYSA-N 1 0 388.262 2.365 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415737113 532855018 /nfs/dbraw/zinc/85/50/18/532855018.db2.gz BUZJTRSOZHWAHJ-MRVPVSSYSA-N 1 0 378.217 2.300 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415743206 532855514 /nfs/dbraw/zinc/85/55/14/532855514.db2.gz NWJUPBFAJBJYKE-QMMMGPOBSA-N 1 0 378.217 2.300 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000415748012 532855548 /nfs/dbraw/zinc/85/55/48/532855548.db2.gz WGSCHGRYMQPACC-XYPYZODXSA-N 1 0 386.265 2.408 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415761691 532855948 /nfs/dbraw/zinc/85/59/48/532855948.db2.gz UNTRIEQTFIRABJ-BXUZGUMPSA-N 1 0 378.274 2.754 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000415755526 532855954 /nfs/dbraw/zinc/85/59/54/532855954.db2.gz CKNUKDDUZBJUDN-NSHDSACASA-N 1 0 386.290 2.418 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415758930 532856047 /nfs/dbraw/zinc/85/60/47/532856047.db2.gz PWJOYFIKBUEYPT-BXUZGUMPSA-N 1 0 378.274 2.754 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2Br)CCO1 ZINC000274770575 532856188 /nfs/dbraw/zinc/85/61/88/532856188.db2.gz JQHGVTHJEFPBBE-NSHDSACASA-N 1 0 377.666 2.058 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415765103 532856455 /nfs/dbraw/zinc/85/64/55/532856455.db2.gz QLPQDYFTVSAIQY-GFCCVEGCSA-N 1 0 398.276 2.375 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415767672 532856496 /nfs/dbraw/zinc/85/64/96/532856496.db2.gz UKALWZBKBXKFFN-ZDUSSCGKSA-N 1 0 380.286 2.236 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000415763313 532856501 /nfs/dbraw/zinc/85/65/01/532856501.db2.gz QRLAJRQUBCJNJI-VIFPVBQESA-N 1 0 381.782 2.463 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2s1 ZINC000415765969 532856512 /nfs/dbraw/zinc/85/65/12/532856512.db2.gz LCTUKMDAHIEABN-JQWIXIFHSA-N 1 0 378.885 2.407 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415769797 532856514 /nfs/dbraw/zinc/85/65/14/532856514.db2.gz ASFHBZWIJLVRKT-GFCCVEGCSA-N 1 0 385.281 2.408 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)C1CC([NH3+])C1 ZINC000415784276 532857374 /nfs/dbraw/zinc/85/73/74/532857374.db2.gz DXJHRPBEPRNVBG-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/85/79/40/532857940.db2.gz XEBOTDQCYOQPRM-UHFFFAOYSA-N 1 0 378.885 2.274 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415795443 532857677 /nfs/dbraw/zinc/85/76/77/532857677.db2.gz XPUNAWYXJURAIV-QMMMGPOBSA-N 1 0 393.079 2.004 20 0 GEADRO Brc1cc(C[NH2+]CCN2CCCOCC2)cc2c1OCCCO2 ZINC000289542003 532858034 /nfs/dbraw/zinc/85/80/34/532858034.db2.gz WXQKMFYBZDWWLI-UHFFFAOYSA-N 1 0 385.302 2.422 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H]1[NH+]1CCCC1 ZINC000274846297 532858032 /nfs/dbraw/zinc/85/80/32/532858032.db2.gz SVYSDWZBSGAFBL-KBPBESRZSA-N 1 0 375.947 2.076 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415804467 532858256 /nfs/dbraw/zinc/85/82/56/532858256.db2.gz IDAXRMSGXJLRML-AAEUAGOBSA-N 1 0 398.301 2.420 20 0 GEADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415818164 532858805 /nfs/dbraw/zinc/85/88/05/532858805.db2.gz SNXNRRJUEBRPSZ-MFKMUULPSA-N 1 0 376.869 2.222 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC[NH2+]1 ZINC000415825453 532858608 /nfs/dbraw/zinc/85/86/08/532858608.db2.gz ZUSVENQHWFAZAV-UHFFFAOYSA-N 1 0 375.416 2.332 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000415831962 532859368 /nfs/dbraw/zinc/85/93/68/532859368.db2.gz PTDCEZZAZDXCFT-GHMZBOCLSA-N 1 0 375.416 2.394 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C(F)(F)F ZINC000415826985 532859440 /nfs/dbraw/zinc/85/94/40/532859440.db2.gz BDQVUYCUXPCHHI-VIFPVBQESA-N 1 0 389.708 2.276 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@@]1(C)C[NH3+] ZINC000415840594 532859841 /nfs/dbraw/zinc/85/98/41/532859841.db2.gz MNQAZRXAAIHPEW-JDNHERCYSA-N 1 0 375.803 2.323 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000415838380 532859854 /nfs/dbraw/zinc/85/98/54/532859854.db2.gz DBJVUBLRUNGPEM-UWVGGRQHSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000415846719 532860157 /nfs/dbraw/zinc/86/01/57/532860157.db2.gz ZAWMUPBEMLFGED-RFAUZJTJSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C[C@@]1(C)C[NH3+] ZINC000415845185 532860242 /nfs/dbraw/zinc/86/02/42/532860242.db2.gz VHTXZYKKRABHSS-RFAUZJTJSA-N 1 0 388.693 2.484 20 0 GEADRO O=C(Nc1cccc2cc(Br)cnc21)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415862627 532861044 /nfs/dbraw/zinc/86/10/44/532861044.db2.gz FSUXNWUWEMQZQX-CYBMUJFWSA-N 1 0 391.269 2.194 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415858204 532861116 /nfs/dbraw/zinc/86/11/16/532861116.db2.gz SKDGJGMIFRKBAN-STQMWFEESA-N 1 0 380.286 2.236 20 0 GEADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415863166 532861139 /nfs/dbraw/zinc/86/11/39/532861139.db2.gz GIEHSKPCHQSSSB-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415863268 532861152 /nfs/dbraw/zinc/86/11/52/532861152.db2.gz AXMIZJAOYJAFDV-CKYFFXLPSA-N 1 0 384.249 2.031 20 0 GEADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415862679 532861174 /nfs/dbraw/zinc/86/11/74/532861174.db2.gz FWVFQDNJSQMTHX-NXEZZACHSA-N 1 0 375.778 2.365 20 0 GEADRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000289625082 532861178 /nfs/dbraw/zinc/86/11/78/532861178.db2.gz GYKVSJMMRLTCBH-CYBMUJFWSA-N 1 0 383.334 2.485 20 0 GEADRO O=C(Nc1cccc2cncc(Br)c21)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415872179 532861534 /nfs/dbraw/zinc/86/15/34/532861534.db2.gz RTDOMJIPNTXOHZ-LBPRGKRZSA-N 1 0 391.269 2.194 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415870695 532861457 /nfs/dbraw/zinc/86/14/57/532861457.db2.gz GCUANRIWPVXWIM-OUCADQQQSA-N 1 0 380.286 2.200 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000415881197 532862064 /nfs/dbraw/zinc/86/20/64/532862064.db2.gz UFIDVPPZBFEXHU-RWMBFGLXSA-N 1 0 380.286 2.200 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1ccc(Br)cc1Cl ZINC000415877634 532861781 /nfs/dbraw/zinc/86/17/81/532861781.db2.gz KQBLHTBGNTUCBJ-UHFFFAOYSA-N 1 0 386.677 2.467 20 0 GEADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415891321 532861862 /nfs/dbraw/zinc/86/18/62/532861862.db2.gz JVDNUHLBECCKNY-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(S(=O)(=O)NC)s2)c1 ZINC000415904969 532862019 /nfs/dbraw/zinc/86/20/19/532862019.db2.gz HHINIFJIRRUFGB-UHFFFAOYSA-N 1 0 382.511 2.087 20 0 GEADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415974068 532862390 /nfs/dbraw/zinc/86/23/90/532862390.db2.gz RDMSTGZSTFSRCM-UWVGGRQHSA-N 1 0 381.420 2.449 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)CCO2 ZINC000289654098 532862165 /nfs/dbraw/zinc/86/21/65/532862165.db2.gz YMKBLVFMHNJYHC-UKRRQHHQSA-N 1 0 379.400 2.237 20 0 GEADRO C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000332902200 532862193 /nfs/dbraw/zinc/86/21/93/532862193.db2.gz SAXJVLCWSNJDQA-RKPUJPDHSA-N 1 0 387.615 2.289 20 0 GEADRO CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H](CO)c1cccc(Br)c1 ZINC000416003226 532862528 /nfs/dbraw/zinc/86/25/28/532862528.db2.gz GKKGKKCELYZHGD-RYUDHWBXSA-N 1 0 398.223 2.404 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC000416013880 532863121 /nfs/dbraw/zinc/86/31/21/532863121.db2.gz UYACOBYBYWMHKQ-JTQLQIEISA-N 1 0 377.754 2.469 20 0 GEADRO CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000416036524 532863431 /nfs/dbraw/zinc/86/34/31/532863431.db2.gz YMCSIQCATWJHIY-PWSUYJOCSA-N 1 0 399.822 2.090 20 0 GEADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000289694408 532863185 /nfs/dbraw/zinc/86/31/85/532863185.db2.gz SRFVECCCZMJEDK-UKRRQHHQSA-N 1 0 385.917 2.451 20 0 GEADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000275078796 532863717 /nfs/dbraw/zinc/86/37/17/532863717.db2.gz CQWVQBKBTQPUFB-NEPJUHHUSA-N 1 0 380.794 2.080 20 0 GEADRO Cc1c(Br)cc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c(=O)n1C ZINC000416111943 532864538 /nfs/dbraw/zinc/86/45/38/532864538.db2.gz WJCNQTMUIVCEFD-UHFFFAOYSA-N 1 0 384.318 2.403 20 0 GEADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)nc1 ZINC000289762891 532864629 /nfs/dbraw/zinc/86/46/29/532864629.db2.gz NCVOYAKIGBGWRN-NSHDSACASA-N 1 0 384.299 2.385 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc3ncccc3c2)C[C@H]1[NH+]1CCCC1 ZINC000333150575 532865251 /nfs/dbraw/zinc/86/52/51/532865251.db2.gz GUKJNFRJFOREPV-MSOLQXFVSA-N 1 0 377.535 2.435 20 0 GEADRO C[NH+](C)CCCCNC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000416161322 532865287 /nfs/dbraw/zinc/86/52/87/532865287.db2.gz QMCNEWYRTQBHHA-UHFFFAOYSA-N 1 0 391.331 2.071 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3ncccc3c2)C[C@H]1[NH+]1CCCC1 ZINC000333150581 532865414 /nfs/dbraw/zinc/86/54/14/532865414.db2.gz GUKJNFRJFOREPV-QZTJIDSGSA-N 1 0 377.535 2.435 20 0 GEADRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000275124831 532865421 /nfs/dbraw/zinc/86/54/21/532865421.db2.gz QFJKMKCTAPZSOT-WCQYABFASA-N 1 0 380.794 2.080 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000333287697 532866460 /nfs/dbraw/zinc/86/64/60/532866460.db2.gz IRGOAHMOSKBYKF-ZYHUDNBSSA-N 1 0 379.262 2.231 20 0 GEADRO Cc1nc2cc(Br)cc(NC(=O)N3CCCO[C@@H](C[NH3+])C3)c2o1 ZINC000333298144 532866382 /nfs/dbraw/zinc/86/63/82/532866382.db2.gz KBHAAWONJJZZAA-NSHDSACASA-N 1 0 383.246 2.480 20 0 GEADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000275130307 532866203 /nfs/dbraw/zinc/86/62/03/532866203.db2.gz RSSVRPPOMWYBDK-ZWNOBZJWSA-N 1 0 395.219 2.483 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000333315100 532867149 /nfs/dbraw/zinc/86/71/49/532867149.db2.gz MFQJYEYZPJTIKF-VIFPVBQESA-N 1 0 382.287 2.923 20 0 GEADRO O=C(Nc1ccc2nccnc2c1Br)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333339794 532866804 /nfs/dbraw/zinc/86/68/04/532866804.db2.gz PNQBTQJCWFMQBK-MNOVXSKESA-N 1 0 376.258 2.466 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1Br ZINC000275190325 532867796 /nfs/dbraw/zinc/86/77/96/532867796.db2.gz YMLFXNUEWOXODG-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO C[NH+](C)[C@H](CC(=O)NCCn1cc(Br)ccc1=O)c1ccccc1 ZINC000416238450 532868010 /nfs/dbraw/zinc/86/80/10/532868010.db2.gz IAQPIOKPRFZPLC-MRXNPFEDSA-N 1 0 392.297 2.420 20 0 GEADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333401548 532868115 /nfs/dbraw/zinc/86/81/15/532868115.db2.gz YUIJTTPFFWLNET-ZJUUUORDSA-N 1 0 381.864 3.071 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000289951105 532868949 /nfs/dbraw/zinc/86/89/49/532868949.db2.gz BWHMHFCKXXWVFZ-NSHDSACASA-N 1 0 390.299 2.135 20 0 GEADRO C[C@H](O)c1ncc(C[NH2+]CCNC(=O)c2cccc(Br)c2)s1 ZINC000289964720 532868686 /nfs/dbraw/zinc/86/86/86/532868686.db2.gz BLENPMXFAIBDRW-JTQLQIEISA-N 1 0 384.299 2.479 20 0 GEADRO C[C@@H]1C[C@H](S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000333472807 532869030 /nfs/dbraw/zinc/86/90/30/532869030.db2.gz WLGFSZCIBKWQLC-HZPDHXFCSA-N 1 0 376.588 2.225 20 0 GEADRO COc1cc2[nH+]ccc(N3CC[C@@H]4OCC(=O)N[C@H]4C3)c2cc1Br ZINC000333485058 532869264 /nfs/dbraw/zinc/86/92/64/532869264.db2.gz QADWHGRLAIMDAA-ZFWWWQNUSA-N 1 0 392.253 2.100 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1cc(Br)cs1 ZINC000416297443 532869619 /nfs/dbraw/zinc/86/96/19/532869619.db2.gz PSGKJSMBOUKQLA-RYUDHWBXSA-N 1 0 375.332 2.357 20 0 GEADRO COCCN(C)c1ccc(C[N@H+](C)CCn2cc(Br)cn2)cn1 ZINC000290002898 532870271 /nfs/dbraw/zinc/87/02/71/532870271.db2.gz DBFGOSYMEUZUKJ-UHFFFAOYSA-N 1 0 382.306 2.255 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)cnc2c1Cl ZINC000333534480 532870593 /nfs/dbraw/zinc/87/05/93/532870593.db2.gz YNQKQBYPCMOCJP-VXGBXAGGSA-N 1 0 385.921 2.090 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCOc1ccccc1Br ZINC000416300511 532870614 /nfs/dbraw/zinc/87/06/14/532870614.db2.gz TXFKGANHYQDKER-ZIAGYGMSSA-N 1 0 385.302 2.132 20 0 GEADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290015870 532870294 /nfs/dbraw/zinc/87/02/94/532870294.db2.gz FCGNHDJIAOAHRS-QWHCGFSZSA-N 1 0 375.270 2.316 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333645873 532871467 /nfs/dbraw/zinc/87/14/67/532871467.db2.gz IYWJGZAJCJQDOR-NSHDSACASA-N 1 0 377.304 2.187 20 0 GEADRO Cc1cc(Br)cc(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000333689413 532871976 /nfs/dbraw/zinc/87/19/76/532871976.db2.gz CIWVTNATHWROMZ-MRXNPFEDSA-N 1 0 394.313 2.184 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000290094394 532872422 /nfs/dbraw/zinc/87/24/22/532872422.db2.gz XHSHMUJTEKPUBZ-LLVKDONJSA-N 1 0 397.191 2.365 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000333719179 532872484 /nfs/dbraw/zinc/87/24/84/532872484.db2.gz UGOOCHBKVDCTLY-HOCLYGCPSA-N 1 0 378.416 2.011 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290116115 532872788 /nfs/dbraw/zinc/87/27/88/532872788.db2.gz KVEGSBAUCGKNOP-ZDUSSCGKSA-N 1 0 377.539 2.143 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000275334168 532873112 /nfs/dbraw/zinc/87/31/12/532873112.db2.gz VZBUQBNTWXUXFF-RYUDHWBXSA-N 1 0 375.416 2.458 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000333780360 532873243 /nfs/dbraw/zinc/87/32/43/532873243.db2.gz DQNIQMXZUIPJJV-CAOSSQGBSA-N 1 0 379.302 2.253 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000290148471 532873890 /nfs/dbraw/zinc/87/38/90/532873890.db2.gz ORUOUOMQLCJBFW-JTQLQIEISA-N 1 0 376.272 2.092 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000333851588 532873999 /nfs/dbraw/zinc/87/39/99/532873999.db2.gz QBXAAJLHLKCAQQ-GFCCVEGCSA-N 1 0 385.295 2.213 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333872526 532874372 /nfs/dbraw/zinc/87/43/72/532874372.db2.gz SDPDPHUIJBLISZ-TZMCWYRMSA-N 1 0 386.901 2.264 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@@H]1CCCC(=O)N1 ZINC000290204912 532875152 /nfs/dbraw/zinc/87/51/52/532875152.db2.gz VCJOGTJLCCQJEV-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NOCc2ccc(F)cc2Br)C1 ZINC000275433175 532876093 /nfs/dbraw/zinc/87/60/93/532876093.db2.gz DEELWBWYEIHRKQ-ZDUSSCGKSA-N 1 0 390.253 2.040 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000290263482 532876116 /nfs/dbraw/zinc/87/61/16/532876116.db2.gz VNDGLCKAWOMGPN-NEPJUHHUSA-N 1 0 392.363 2.476 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000416406312 532876440 /nfs/dbraw/zinc/87/64/40/532876440.db2.gz FEFGKFOXWLKCPH-DGCLKSJQSA-N 1 0 376.906 2.318 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000290277270 532876816 /nfs/dbraw/zinc/87/68/16/532876816.db2.gz XNRAOMPCKLCSLX-ZDUSSCGKSA-N 1 0 376.469 2.462 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1Cl ZINC000416438493 532876870 /nfs/dbraw/zinc/87/68/70/532876870.db2.gz KBLSQFRDJXKPFD-BXUZGUMPSA-N 1 0 394.946 2.023 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(Br)c1 ZINC000290288931 532877601 /nfs/dbraw/zinc/87/76/01/532877601.db2.gz ADOSKUBXWXZSJD-LLVKDONJSA-N 1 0 390.299 2.150 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000275530389 532877795 /nfs/dbraw/zinc/87/77/95/532877795.db2.gz WWAJKRCONRWHKX-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO OCCN(Cc1nc(Cc2cccc(Br)c2)no1)C1CCOCC1 ZINC000275575867 532878836 /nfs/dbraw/zinc/87/88/36/532878836.db2.gz PFEZYTRDYGUABA-UHFFFAOYSA-N 1 0 396.285 2.396 20 0 GEADRO C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417186290 532878824 /nfs/dbraw/zinc/87/88/24/532878824.db2.gz VELPKNJVVDZKQY-GHMZBOCLSA-N 1 0 384.274 2.285 20 0 GEADRO COC[C@]1(CNC(=O)N[C@@H](C)Cc2cccc(Br)c2)CCC[NH2+]1 ZINC000417274734 532879239 /nfs/dbraw/zinc/87/92/39/532879239.db2.gz AQXOIVADISUNPG-SUMWQHHRSA-N 1 0 384.318 2.448 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@H](C)Cc2cccc(Br)c2)CCC[NH2+]1 ZINC000417274732 532879256 /nfs/dbraw/zinc/87/92/56/532879256.db2.gz AQXOIVADISUNPG-DYVFJYSZSA-N 1 0 384.318 2.448 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417265071 532879266 /nfs/dbraw/zinc/87/92/66/532879266.db2.gz UACOKRNPLYDMFW-KBPBESRZSA-N 1 0 383.334 2.430 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417275217 532879300 /nfs/dbraw/zinc/87/93/00/532879300.db2.gz BIGKAZPMXZSEGA-PBHICJAKSA-N 1 0 395.345 2.069 20 0 GEADRO COC[C@]1(CNC(=O)N[C@H](C)Cc2cccc(Br)c2)CCC[NH2+]1 ZINC000417274722 532879582 /nfs/dbraw/zinc/87/95/82/532879582.db2.gz AQXOIVADISUNPG-CXAGYDPISA-N 1 0 384.318 2.448 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000417447007 532879753 /nfs/dbraw/zinc/87/97/53/532879753.db2.gz NXZARSGZPNFCHO-GXFFZTMASA-N 1 0 386.290 2.264 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1ccc(I)s1 ZINC000417442055 532879842 /nfs/dbraw/zinc/87/98/42/532879842.db2.gz SKOXVALDTLCLBH-GXSJLCMTSA-N 1 0 393.294 2.192 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)ncc2Cl)ccc1=O ZINC000275696656 532881588 /nfs/dbraw/zinc/88/15/88/532881588.db2.gz QBPAGCSLDOFHEZ-UHFFFAOYSA-N 1 0 399.676 2.473 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419529417 532882391 /nfs/dbraw/zinc/88/23/91/532882391.db2.gz XQNBUYSDQGZDSY-UHFFFAOYSA-N 1 0 398.345 2.477 20 0 GEADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000290499966 532882764 /nfs/dbraw/zinc/88/27/64/532882764.db2.gz WSBBIEJJNKKFKL-ZDUSSCGKSA-N 1 0 384.855 2.417 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419870332 532883017 /nfs/dbraw/zinc/88/30/17/532883017.db2.gz KCILTZKCOSCIHU-HUUCEWRRSA-N 1 0 382.302 2.102 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000419882057 532883169 /nfs/dbraw/zinc/88/31/69/532883169.db2.gz VAGGLGHHXWCQQO-GPANFISMSA-N 1 0 394.313 2.499 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419871721 532883237 /nfs/dbraw/zinc/88/32/37/532883237.db2.gz XTQGPZICNHVESB-CZUORRHYSA-N 1 0 394.313 2.228 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)C1CC1 ZINC000419875966 532883255 /nfs/dbraw/zinc/88/32/55/532883255.db2.gz WZIGCYTVSYPCIE-HUUCEWRRSA-N 1 0 398.276 2.105 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ncccc1Br ZINC000290526088 532883358 /nfs/dbraw/zinc/88/33/58/532883358.db2.gz CCFKMCLPSMLBOZ-UHFFFAOYSA-N 1 0 393.285 2.500 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000420460583 532883512 /nfs/dbraw/zinc/88/35/12/532883512.db2.gz LCJVCFARBHXZKE-INIZCTEOSA-N 1 0 381.523 2.143 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1I ZINC000420454385 532883706 /nfs/dbraw/zinc/88/37/06/532883706.db2.gz LGAUHGATLHLRIQ-WDEREUQCSA-N 1 0 394.278 2.005 20 0 GEADRO C[NH+](C)CCc1ccccc1NC(=O)c1nc2ncc(Br)cn2n1 ZINC000275813438 532883698 /nfs/dbraw/zinc/88/36/98/532883698.db2.gz JRLHFQRLRULHEG-UHFFFAOYSA-N 1 0 389.257 2.243 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c(OC)cc1Br ZINC000420452434 532883829 /nfs/dbraw/zinc/88/38/29/532883829.db2.gz SKQMNJOTXNMFJG-CYBMUJFWSA-N 1 0 395.319 2.118 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418433128 532880637 /nfs/dbraw/zinc/88/06/37/532880637.db2.gz BVCGPVGEKNTXPG-CQSZACIVSA-N 1 0 386.334 2.417 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000418455292 532881174 /nfs/dbraw/zinc/88/11/74/532881174.db2.gz GVMJUBPRRNSXIH-HUUCEWRRSA-N 1 0 386.265 2.408 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418448427 532881314 /nfs/dbraw/zinc/88/13/14/532881314.db2.gz RYUDSAOAVDSIJB-NWDGAFQWSA-N 1 0 378.300 2.406 20 0 GEADRO Brc1ccn2cc(CN3CCC[C@@H]3CN3CCOCC3)nc2c1 ZINC000290445359 532881332 /nfs/dbraw/zinc/88/13/32/532881332.db2.gz ODYGUMRITOXLRS-MRXNPFEDSA-N 1 0 379.302 2.393 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCC1 ZINC000275960243 532886525 /nfs/dbraw/zinc/88/65/25/532886525.db2.gz KKPWRRHGHSHTFO-ZDUSSCGKSA-N 1 0 394.313 2.403 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000276042686 532887480 /nfs/dbraw/zinc/88/74/80/532887480.db2.gz SCYXXDKJVQENKK-CYBMUJFWSA-N 1 0 382.302 2.415 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(Cc3cn4ccc(Br)cc4n3)C2)CC1 ZINC000290565336 532884508 /nfs/dbraw/zinc/88/45/08/532884508.db2.gz XYNDRCXVYKAKCQ-KRWDZBQOSA-N 1 0 392.345 2.309 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(Br)nc3)C2=O)n(C)n1 ZINC000290583517 532884635 /nfs/dbraw/zinc/88/46/35/532884635.db2.gz GBIIJSFHJBPXRO-WCQYABFASA-N 1 0 378.274 2.342 20 0 GEADRO C[NH+](C)CCc1ccccc1NC(=O)Cn1cc(Br)ccc1=O ZINC000275885183 532885047 /nfs/dbraw/zinc/88/50/47/532885047.db2.gz RHJFFDGHZDVQHO-UHFFFAOYSA-N 1 0 378.270 2.354 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[C@H]1N1CCOCC1)c1ccc(Cl)nc1Cl ZINC000360231064 532889778 /nfs/dbraw/zinc/88/97/78/532889778.db2.gz TZUMASDMYRIQGT-NWDGAFQWSA-N 1 0 394.324 2.168 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000360238532 532889862 /nfs/dbraw/zinc/88/98/62/532889862.db2.gz RCOAHIIQYIVHJL-BJJXKVORSA-N 1 0 383.286 2.196 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(Br)nc1 ZINC000290736290 532888021 /nfs/dbraw/zinc/88/80/21/532888021.db2.gz PQSMEZDWHYQOCP-WCQYABFASA-N 1 0 388.331 2.451 20 0 GEADRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[C@H](O)C(F)(F)F ZINC000360040550 532889052 /nfs/dbraw/zinc/88/90/52/532889052.db2.gz NOQYOSPFLOWLSH-AAEUAGOBSA-N 1 0 386.461 2.193 20 0 GEADRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H](O)C(F)(F)F ZINC000360040553 532889061 /nfs/dbraw/zinc/88/90/61/532889061.db2.gz NOQYOSPFLOWLSH-WCQYABFASA-N 1 0 386.461 2.193 20 0 GEADRO COCCOCCOCC[N@H+](C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000276121035 532889222 /nfs/dbraw/zinc/88/92/22/532889222.db2.gz BJIFVESKMZPEOV-MRXNPFEDSA-N 1 0 394.281 2.233 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360971416 532892106 /nfs/dbraw/zinc/89/21/06/532892106.db2.gz BQMSINSXPFSXRS-HJWJTTGWSA-N 1 0 378.314 2.392 20 0 GEADRO Cn1cnc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000361224595 532892693 /nfs/dbraw/zinc/89/26/93/532892693.db2.gz VXIBNMCTHGDSME-HNNXBMFYSA-N 1 0 382.917 2.264 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423016051 532892651 /nfs/dbraw/zinc/89/26/51/532892651.db2.gz AUASVDBEILLUBA-LLVKDONJSA-N 1 0 388.331 2.056 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)c2cc3c(s2)CCS(=O)(=O)C3)CC1 ZINC000360777991 532890369 /nfs/dbraw/zinc/89/03/69/532890369.db2.gz SAFXBZWBRBJAET-UHFFFAOYSA-N 1 0 384.567 2.413 20 0 GEADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCCc1ccc(Br)cc1OC ZINC000423031855 532893070 /nfs/dbraw/zinc/89/30/70/532893070.db2.gz LMEOXQWDWDGRJS-HOCLYGCPSA-N 1 0 385.302 2.274 20 0 GEADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccncc1Br ZINC000361300405 532893077 /nfs/dbraw/zinc/89/30/77/532893077.db2.gz VFDNKNKURKKQKA-DVOMOZLQSA-N 1 0 382.302 2.463 20 0 GEADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cc(Br)cn1C ZINC000361431265 532893467 /nfs/dbraw/zinc/89/34/67/532893467.db2.gz YFLBAFHVPYGAEJ-SNPRPXQTSA-N 1 0 384.318 2.407 20 0 GEADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccncc3Br)CCC[N@@H+]2C)cn1 ZINC000361815520 532893994 /nfs/dbraw/zinc/89/39/94/532893994.db2.gz QEXNITABQXDZHA-WBMJQRKESA-N 1 0 392.301 2.391 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000423102222 532894142 /nfs/dbraw/zinc/89/41/42/532894142.db2.gz DQFRLQSVAPLDLU-HUUCEWRRSA-N 1 0 380.286 2.062 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1csc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000276359995 532894517 /nfs/dbraw/zinc/89/45/17/532894517.db2.gz LZYHBDIKVHQZBR-CYBMUJFWSA-N 1 0 378.947 2.373 20 0 GEADRO C[NH2+]CCCN(C)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000424030398 532894498 /nfs/dbraw/zinc/89/44/98/532894498.db2.gz GSALEPUFJKOXJX-UHFFFAOYSA-N 1 0 380.539 2.187 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CCCO1 ZINC000424020653 532894563 /nfs/dbraw/zinc/89/45/63/532894563.db2.gz MFICSQYNCXTZQN-CYBMUJFWSA-N 1 0 379.258 2.029 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CCCO1 ZINC000424020655 532894702 /nfs/dbraw/zinc/89/47/02/532894702.db2.gz MFICSQYNCXTZQN-ZDUSSCGKSA-N 1 0 379.258 2.029 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000422998411 532892952 /nfs/dbraw/zinc/89/29/52/532892952.db2.gz QIKQJINQGYAYCI-UHFFFAOYSA-N 1 0 394.313 2.010 20 0 GEADRO [NH3+]CCCn1cc(C(=O)NCC2(c3cccc(Br)c3)CCC2)nn1 ZINC000423061503 532892961 /nfs/dbraw/zinc/89/29/61/532892961.db2.gz QZCJCGVVWKEBJH-UHFFFAOYSA-N 1 0 392.301 2.241 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423016052 532893016 /nfs/dbraw/zinc/89/30/16/532893016.db2.gz AUASVDBEILLUBA-NSHDSACASA-N 1 0 388.331 2.056 20 0 GEADRO [NH3+]CC1(O)CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC000424054630 532895115 /nfs/dbraw/zinc/89/51/15/532895115.db2.gz HCPVMMUJQRYANV-UHFFFAOYSA-N 1 0 397.191 2.274 20 0 GEADRO 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CC[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccc(Br)cc3C)[C@H]2C1 ZINC000293344606 532925630 /nfs/dbraw/zinc/92/56/30/532925630.db2.gz SMBVCHHAFDZKCM-DLBZAZTESA-N 1 0 396.329 2.491 20 0 GEADRO O=C1[C@H](N2CCO[C@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000367513230 532925817 /nfs/dbraw/zinc/92/58/17/532925817.db2.gz KASFYJVWCLPQFF-SJLPKXTDSA-N 1 0 395.297 2.436 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000293678264 532930082 /nfs/dbraw/zinc/93/00/82/532930082.db2.gz NPHQTWJUDHTSPR-LBPRGKRZSA-N 1 0 382.302 2.436 20 0 GEADRO O=C(c1cnc(Cl)c(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000293860708 532932303 /nfs/dbraw/zinc/93/23/03/532932303.db2.gz XTHQWHAULIKYOJ-UHFFFAOYSA-N 1 0 388.693 2.434 20 0 GEADRO O=C(NCCCCC[NH+]1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000293790145 532931371 /nfs/dbraw/zinc/93/13/71/532931371.db2.gz URTPVVBZZJDDQH-UHFFFAOYSA-N 1 0 383.290 2.165 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368322224 532931583 /nfs/dbraw/zinc/93/15/83/532931583.db2.gz 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20 0 GEADRO C[N@@H+]1C[C@H](NC(=O)Cc2cc[nH]c(=O)c2Br)[C@H](c2ccccc2)C1 ZINC000369329303 532938773 /nfs/dbraw/zinc/93/87/73/532938773.db2.gz GHUFTRZZFBVYGT-GJZGRUSLSA-N 1 0 390.281 2.306 20 0 GEADRO O=C(CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1ccccc1Br ZINC000369361132 532938998 /nfs/dbraw/zinc/93/89/98/532938998.db2.gz ZYPYBPDVUWPIPD-IAGOWNOFSA-N 1 0 396.329 2.309 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)ccc1Cl ZINC000369531241 532939724 /nfs/dbraw/zinc/93/97/24/532939724.db2.gz JXWUHFJSRIKVBE-WBMJQRKESA-N 1 0 386.901 2.279 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(Cl)cc1Cl ZINC000370175381 532942527 /nfs/dbraw/zinc/94/25/27/532942527.db2.gz TYHAJCJBSFGUBK-TVQRCGJNSA-N 1 0 393.292 2.153 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ncc2C)s1 ZINC000370341991 532942961 /nfs/dbraw/zinc/94/29/61/532942961.db2.gz RXPGLOZBNFQUTB-HNNXBMFYSA-N 1 0 379.507 2.282 20 0 GEADRO Cc1cc2cc(C(=O)N3CCCN(CC(N)=O)CC3)oc2c(Br)c1 ZINC000370335280 532942967 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GEADRO COc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)sc1Br ZINC000371162305 532947111 /nfs/dbraw/zinc/94/71/11/532947111.db2.gz AMXKURNWAZDVBR-GHMZBOCLSA-N 1 0 389.315 2.190 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COc3ccccc3Br)CC2)C1 ZINC000371242421 532947331 /nfs/dbraw/zinc/94/73/31/532947331.db2.gz NGQIMIPSOZTCMT-OAHLLOKOSA-N 1 0 396.329 2.066 20 0 GEADRO Cn1cc([C@H]2[C@@H](CNS(=O)(=O)c3ccc(Cl)s3)CCCN2C)cn1 ZINC000371738501 532949486 /nfs/dbraw/zinc/94/94/86/532949486.db2.gz DMKTYHNLWHJOKK-IAQYHMDHSA-N 1 0 388.946 2.496 20 0 GEADRO O=S(=O)(c1cc(Br)ccc1Br)N1CCC[NH2+]CC1 ZINC000020432489 207504144 /nfs/dbraw/zinc/50/41/44/207504144.db2.gz SNCPHKXKZXBNHC-UHFFFAOYSA-N 1 0 398.120 2.196 20 0 GEADRO COCCn1nc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1=O ZINC000036396044 570679632 /nfs/dbraw/zinc/67/96/32/570679632.db2.gz QTXKAKVBBONGSY-UHFFFAOYSA-N 1 0 384.480 2.374 20 0 GEADRO O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275920180 570700751 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ZINC000735624110 598929377 /nfs/dbraw/zinc/92/93/77/598929377.db2.gz ULCCVUOQYDLUAI-UHFFFAOYSA-N 1 0 384.440 2.157 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000737296249 598954947 /nfs/dbraw/zinc/95/49/47/598954947.db2.gz GXMKJKGKHSSWBS-UHFFFAOYSA-N 1 0 392.529 2.060 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nc2ccccc2s1 ZINC000736138088 598962851 /nfs/dbraw/zinc/96/28/51/598962851.db2.gz ZFVBIHLZGOKVJW-QWRGUYRKSA-N 1 0 381.469 2.065 20 0 GEADRO COc1ccc(OCC[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000737110401 598982061 /nfs/dbraw/zinc/98/20/61/598982061.db2.gz XCPLHRLFWYXAHW-UHFFFAOYSA-N 1 0 399.451 2.274 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)c1cccc(OC)c1 ZINC000736535282 598984404 /nfs/dbraw/zinc/98/44/04/598984404.db2.gz WGJSAMHIYKRGJN-GOSISDBHSA-N 1 0 395.467 2.083 20 0 GEADRO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736705548 598985666 /nfs/dbraw/zinc/98/56/66/598985666.db2.gz 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O[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1c(F)cccc1Cl ZINC000738382632 599053523 /nfs/dbraw/zinc/05/35/23/599053523.db2.gz MPXCGUXNQVWEDX-AWEZNQCLSA-N 1 0 387.806 2.130 20 0 GEADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736237218 599080421 /nfs/dbraw/zinc/08/04/21/599080421.db2.gz VHMWHGBJCMIXQL-ATZDWAIDSA-N 1 0 379.464 2.484 20 0 GEADRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000737737365 599081358 /nfs/dbraw/zinc/08/13/58/599081358.db2.gz CLKJEOUYJNJYBS-UHFFFAOYSA-N 1 0 380.427 2.025 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737732315 599094308 /nfs/dbraw/zinc/09/43/08/599094308.db2.gz YLFDZFZIMYGUMI-OTWHNJEPSA-N 1 0 392.463 2.151 20 0 GEADRO c1ccc(-c2ccc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)cc2)c(-c2nn[nH]n2)c1 ZINC000823767521 599105935 /nfs/dbraw/zinc/10/59/35/599105935.db2.gz SMTQPQXQMIAFAM-IBGZPJMESA-N 1 0 390.491 2.440 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000737188776 599107253 /nfs/dbraw/zinc/10/72/53/599107253.db2.gz GOMQBYDRHMIKIF-CMPLNLGQSA-N 1 0 387.513 2.074 20 0 GEADRO Cc1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000822510861 599108694 /nfs/dbraw/zinc/10/86/94/599108694.db2.gz XTZWBSSIRAXNRU-QGZVFWFLSA-N 1 0 378.484 2.232 20 0 GEADRO Cc1ccccc1[C@H](O)C[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000737421277 599131468 /nfs/dbraw/zinc/13/14/68/599131468.db2.gz LXJBXERJCFSZQF-GOSISDBHSA-N 1 0 382.443 2.170 20 0 GEADRO Cc1ccc([C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)o1 ZINC000822227539 599147967 /nfs/dbraw/zinc/14/79/67/599147967.db2.gz MRONTCPBTAMMQB-HNNXBMFYSA-N 1 0 382.468 2.462 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1cccs1 ZINC000821579482 599157986 /nfs/dbraw/zinc/15/79/86/599157986.db2.gz CHLRDPQBNIXCJG-CQSZACIVSA-N 1 0 389.460 2.169 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=S)NC(C1CC1)C1CC1 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C[NH+]1CCC2(CCN2C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736854169 599275743 /nfs/dbraw/zinc/27/57/43/599275743.db2.gz AQLZQVHYNSZHBG-UHFFFAOYSA-N 1 0 384.484 2.113 20 0 GEADRO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC000736701360 599292515 /nfs/dbraw/zinc/29/25/15/599292515.db2.gz AJRFELYEZKIXPY-QGZVFWFLSA-N 1 0 395.467 2.040 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)COc2cccc(-c3nn[nH]n3)c2)[NH+]2CCCC2)o1 ZINC000737322567 598231865 /nfs/dbraw/zinc/23/18/65/598231865.db2.gz ZKSNJGXVPGYIRZ-QGZVFWFLSA-N 1 0 396.451 2.100 20 0 GEADRO CC(C)C[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735794960 598233885 /nfs/dbraw/zinc/23/38/85/598233885.db2.gz JGEHWVHHJBJPLB-OXJNMPFZSA-N 1 0 397.483 2.102 20 0 GEADRO O=[S@](CC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738358482 598246853 /nfs/dbraw/zinc/24/68/53/598246853.db2.gz VWSHTGHPXJHMQP-MUUNZHRXSA-N 1 0 396.520 2.187 20 0 GEADRO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 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C[NH+](C)CC(C)(C)CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736765639 598357948 /nfs/dbraw/zinc/35/79/48/598357948.db2.gz ZGQQMDTYIWHCQJ-UHFFFAOYSA-N 1 0 398.467 2.356 20 0 GEADRO CN(c1cccnn1)C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736842513 598364466 /nfs/dbraw/zinc/36/44/66/598364466.db2.gz BOOVUVVSIVLWON-UHFFFAOYSA-N 1 0 394.483 2.026 20 0 GEADRO Cc1cccc(CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737392242 598367372 /nfs/dbraw/zinc/36/73/72/598367372.db2.gz QNZQVSIDWIOXFE-UHFFFAOYSA-N 1 0 390.491 2.452 20 0 GEADRO Cc1cnn(CC2CC[NH+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737444152 598367836 /nfs/dbraw/zinc/36/78/36/598367836.db2.gz MPPVPEVFPRHVMQ-UHFFFAOYSA-N 1 0 394.483 2.112 20 0 GEADRO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735586138 598370673 /nfs/dbraw/zinc/37/06/73/598370673.db2.gz JOPIGJJWBOAOBJ-MRXNPFEDSA-N 1 0 386.500 2.262 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](Nc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737840165 598374393 /nfs/dbraw/zinc/37/43/93/598374393.db2.gz ZUYCGGMHOHUDMO-SFHVURJKSA-N 1 0 377.452 2.382 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000737072072 598375834 /nfs/dbraw/zinc/37/58/34/598375834.db2.gz IVRBUINRAFNPNH-DOMZBBRYSA-N 1 0 387.415 2.105 20 0 GEADRO c1cc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1OCC2 ZINC000738411411 598454060 /nfs/dbraw/zinc/45/40/60/598454060.db2.gz DSPPMVMNTXLBES-UHFFFAOYSA-N 1 0 376.464 2.119 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000736178566 598455067 /nfs/dbraw/zinc/45/50/67/598455067.db2.gz ANIIMKRWOMGVJR-JKSUJKDBSA-N 1 0 384.484 2.111 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000736178562 598455075 /nfs/dbraw/zinc/45/50/75/598455075.db2.gz ANIIMKRWOMGVJR-CVEARBPZSA-N 1 0 384.484 2.111 20 0 GEADRO COC1CC[NH+](C2(CNC(=O)c3sccc3-c3nn[nH]n3)CCCC2)CC1 ZINC000736962609 598455378 /nfs/dbraw/zinc/45/53/78/598455378.db2.gz PQWIOZZIMOEIMO-UHFFFAOYSA-N 1 0 390.513 2.082 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736247451 598465946 /nfs/dbraw/zinc/46/59/46/598465946.db2.gz DEDFBYKDKLQCKU-MDZRGWNJSA-N 1 0 397.527 2.215 20 0 GEADRO CCOc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000736644027 598467571 /nfs/dbraw/zinc/46/75/71/598467571.db2.gz QCGDMPKOKJBBDY-UHFFFAOYSA-N 1 0 379.468 2.419 20 0 GEADRO CCOCC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736621095 598469887 /nfs/dbraw/zinc/46/98/87/598469887.db2.gz ZFQYNDJPUGPZIG-UHFFFAOYSA-N 1 0 378.502 2.104 20 0 GEADRO O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737876655 598471236 /nfs/dbraw/zinc/47/12/36/598471236.db2.gz RVHLHTDKCOKLJK-AWEZNQCLSA-N 1 0 389.891 2.019 20 0 GEADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737891045 598487280 /nfs/dbraw/zinc/48/72/80/598487280.db2.gz FOGPQJAOWMVQMA-UHFFFAOYSA-N 1 0 396.426 2.240 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000736168623 598500921 /nfs/dbraw/zinc/50/09/21/598500921.db2.gz IWZWQCFLQOBNSE-RDJZCZTQSA-N 1 0 384.484 2.111 20 0 GEADRO CCCO[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736489615 598507337 /nfs/dbraw/zinc/50/73/37/598507337.db2.gz XRUHRWGQTRSWFF-ROUUACIJSA-N 1 0 384.484 2.253 20 0 GEADRO CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735913367 598522426 /nfs/dbraw/zinc/52/24/26/598522426.db2.gz NGIKRLBTXBXAJW-KGLIPLIRSA-N 1 0 382.472 2.243 20 0 GEADRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735914048 598522654 /nfs/dbraw/zinc/52/26/54/598522654.db2.gz HALFRNZOKRZJJG-ZIAGYGMSSA-N 1 0 382.472 2.243 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(OC(F)F)c1 ZINC000736137958 598523005 /nfs/dbraw/zinc/52/30/05/598523005.db2.gz ZACHCMBRMPQHSR-GHMZBOCLSA-N 1 0 390.398 2.057 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCc1csc3ccccc13)C2 ZINC000738433291 598526934 /nfs/dbraw/zinc/52/69/34/598526934.db2.gz PIMYVTHYIAXALE-LBPRGKRZSA-N 1 0 380.481 2.152 20 0 GEADRO Fc1ccc(C2([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)cc1 ZINC000737647083 598529751 /nfs/dbraw/zinc/52/97/51/598529751.db2.gz BCVOUICHCHDPAW-CYBMUJFWSA-N 1 0 382.447 2.303 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000735987913 598556812 /nfs/dbraw/zinc/55/68/12/598556812.db2.gz YHHIVEWAIDQQIT-ZDUSSCGKSA-N 1 0 384.440 2.109 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000738066589 598560798 /nfs/dbraw/zinc/56/07/98/598560798.db2.gz RDNTUHRBPHGAPV-UHFFFAOYSA-N 1 0 381.387 2.076 20 0 GEADRO CC(C)NC(=O)CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735885185 598561652 /nfs/dbraw/zinc/56/16/52/598561652.db2.gz VAOFRRKFEIGGPI-UHFFFAOYSA-N 1 0 394.479 2.450 20 0 GEADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000738144176 598562901 /nfs/dbraw/zinc/56/29/01/598562901.db2.gz AOTKVDWENYVNIL-GFCCVEGCSA-N 1 0 393.398 2.170 20 0 GEADRO COc1cccc([C@H](CNc2nc3ccccn3c2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000737126503 598566664 /nfs/dbraw/zinc/56/66/64/598566664.db2.gz MZXSCCHOOGGMIN-HNNXBMFYSA-N 1 0 378.440 2.238 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735619039 598594375 /nfs/dbraw/zinc/59/43/75/598594375.db2.gz RDQOSXTZCMALAU-GOSISDBHSA-N 1 0 397.527 2.215 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CC1(Sc3ccccc3)CC1)C2 ZINC000738432157 598597560 /nfs/dbraw/zinc/59/75/60/598597560.db2.gz FTFCJEFTZSWQOR-ZDUSSCGKSA-N 1 0 382.497 2.019 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccsc1 ZINC000736762662 598624631 /nfs/dbraw/zinc/62/46/31/598624631.db2.gz WXTJUQOPXBEBNT-AWEZNQCLSA-N 1 0 375.433 2.492 20 0 GEADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000736768276 598629165 /nfs/dbraw/zinc/62/91/65/598629165.db2.gz CESRNYVLBBGZDG-UHFFFAOYSA-N 1 0 399.430 2.268 20 0 GEADRO C[N@H+](CCNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000736800993 598665861 /nfs/dbraw/zinc/66/58/61/598665861.db2.gz PKRLXLWOHMAOJU-UHFFFAOYSA-N 1 0 382.493 2.207 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736757056 598668534 /nfs/dbraw/zinc/66/85/34/598668534.db2.gz NPILFSKCEOOKIT-MRXNPFEDSA-N 1 0 378.436 2.435 20 0 GEADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737919521 598669122 /nfs/dbraw/zinc/66/91/22/598669122.db2.gz MWRGRSWHVWWBEU-KRWDZBQOSA-N 1 0 398.511 2.360 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000736184767 598669244 /nfs/dbraw/zinc/66/92/44/598669244.db2.gz NKROZYHTMWLUBL-MRXNPFEDSA-N 1 0 386.500 2.406 20 0 GEADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737394789 598670002 /nfs/dbraw/zinc/67/00/02/598670002.db2.gz WYHKQTMMQBQAHA-UHFFFAOYSA-N 1 0 393.495 2.177 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736799029 598670226 /nfs/dbraw/zinc/67/02/26/598670226.db2.gz MQAHLMGCUAZRBO-UHFFFAOYSA-N 1 0 396.451 2.207 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736530841 598675110 /nfs/dbraw/zinc/67/51/10/598675110.db2.gz NLNVIXGZLRDAKT-UHFFFAOYSA-N 1 0 381.440 2.126 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NCCC[NH+]1CCCCC1 ZINC000737832747 598681620 /nfs/dbraw/zinc/68/16/20/598681620.db2.gz LCYICGSNNAQUBG-UHFFFAOYSA-N 1 0 386.500 2.408 20 0 GEADRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000738198472 598683039 /nfs/dbraw/zinc/68/30/39/598683039.db2.gz UERHPKASMPFSQO-AWEZNQCLSA-N 1 0 381.415 2.252 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000735636000 598683107 /nfs/dbraw/zinc/68/31/07/598683107.db2.gz MBXHLMNNAUPWMU-LBPRGKRZSA-N 1 0 376.436 2.352 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736858859 598700512 /nfs/dbraw/zinc/70/05/12/598700512.db2.gz VGLJXTOVHPZXRU-MRXNPFEDSA-N 1 0 378.436 2.483 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000737194944 598708253 /nfs/dbraw/zinc/70/82/53/598708253.db2.gz XBFWXKAJEFHYTF-QGZVFWFLSA-N 1 0 378.480 2.452 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000735734515 598753892 /nfs/dbraw/zinc/75/38/92/598753892.db2.gz MMTAXAXOPGAIDW-SFHVURJKSA-N 1 0 386.500 2.070 20 0 GEADRO O=C(CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737844395 598761280 /nfs/dbraw/zinc/76/12/80/598761280.db2.gz SZWPJYUTUXIJNG-HOTGVXAUSA-N 1 0 390.875 2.492 20 0 GEADRO COc1ccccc1C(C)(C)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737139351 598764448 /nfs/dbraw/zinc/76/44/48/598764448.db2.gz VZIVJFMTVXUANJ-UHFFFAOYSA-N 1 0 380.452 2.016 20 0 GEADRO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736278678 598766667 /nfs/dbraw/zinc/76/66/67/598766667.db2.gz UEJWBHXPGWNZGV-INIZCTEOSA-N 1 0 398.511 2.357 20 0 GEADRO O=C1CCCCN1[C@@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738301555 598776398 /nfs/dbraw/zinc/77/63/98/598776398.db2.gz CQDPJVMPWIMXLC-QGZVFWFLSA-N 1 0 384.484 2.113 20 0 GEADRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735587537 598796398 /nfs/dbraw/zinc/79/63/98/598796398.db2.gz UYQWAMPEUYEUMM-HNNXBMFYSA-N 1 0 395.511 2.494 20 0 GEADRO Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000737381898 598805950 /nfs/dbraw/zinc/80/59/50/598805950.db2.gz OSHWNKWKOFIEGG-UHFFFAOYSA-N 1 0 380.452 2.085 20 0 GEADRO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736981638 598820941 /nfs/dbraw/zinc/82/09/41/598820941.db2.gz ZICLZNLLYBWLIT-NWDGAFQWSA-N 1 0 378.864 2.206 20 0 GEADRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736979323 598821044 /nfs/dbraw/zinc/82/10/44/598821044.db2.gz UGYVAFKQFMNREX-LBPRGKRZSA-N 1 0 378.864 2.207 20 0 GEADRO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC000736701390 599292674 /nfs/dbraw/zinc/29/26/74/599292674.db2.gz BFVPWJDSIYJLQX-QGZVFWFLSA-N 1 0 395.467 2.040 20 0 GEADRO C[C@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C[C@@H]1[NH+](C)C ZINC000736292237 599296052 /nfs/dbraw/zinc/29/60/52/599296052.db2.gz NXTMQTUOXYZNSB-BBRMVZONSA-N 1 0 396.451 2.061 20 0 GEADRO CC[C@@]1(C)CCC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820949531 599328568 /nfs/dbraw/zinc/32/85/68/599328568.db2.gz BXWHNVAGHJGKBS-FQEVSTJZSA-N 1 0 397.483 2.101 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821087354 599329983 /nfs/dbraw/zinc/32/99/83/599329983.db2.gz AFLJKIWUJFBWAL-MRXNPFEDSA-N 1 0 395.515 2.055 20 0 GEADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000820126998 599334741 /nfs/dbraw/zinc/33/47/41/599334741.db2.gz GYLYZDMMTWYDFF-UHFFFAOYSA-N 1 0 398.920 2.013 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000735907173 599352590 /nfs/dbraw/zinc/35/25/90/599352590.db2.gz XXDQHLGMKQDYNV-AWEZNQCLSA-N 1 0 387.488 2.459 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000443014533 599362224 /nfs/dbraw/zinc/36/22/24/599362224.db2.gz PARJAYYAELIVBT-LBPRGKRZSA-N 1 0 398.920 2.015 20 0 GEADRO COc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1-c1nn[nH]n1 ZINC000821804013 599396331 /nfs/dbraw/zinc/39/63/31/599396331.db2.gz IGHZYSIOYNIGNC-GFCCVEGCSA-N 1 0 387.465 2.130 20 0 GEADRO CC(C)(CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[NH+]1CCCCC1 ZINC000819980283 599400851 /nfs/dbraw/zinc/40/08/51/599400851.db2.gz BVGCNOVLTAZOCY-UHFFFAOYSA-N 1 0 375.452 2.070 20 0 GEADRO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820374493 599406826 /nfs/dbraw/zinc/40/68/26/599406826.db2.gz OJAAYZLXIXGJAO-CQSZACIVSA-N 1 0 379.468 2.489 20 0 GEADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000820708945 599417207 /nfs/dbraw/zinc/41/72/07/599417207.db2.gz AKPHIXWCPKEDJT-AWEZNQCLSA-N 1 0 389.479 2.317 20 0 GEADRO COc1ccc(C[NH2+]Cc2cnc3c(cnn3C(C)C)c2)cc1-c1nn[nH]n1 ZINC000821817896 599423265 /nfs/dbraw/zinc/42/32/65/599423265.db2.gz ARTYDJOXQQVDFF-UHFFFAOYSA-N 1 0 378.440 2.491 20 0 GEADRO COc1ccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000821814305 599428478 /nfs/dbraw/zinc/42/84/78/599428478.db2.gz ZWBNFWUYWAZFIV-UHFFFAOYSA-N 1 0 376.461 2.222 20 0 GEADRO CCOCC[N@@H+]1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)C[C@@H]1CC ZINC000736624274 599429475 /nfs/dbraw/zinc/42/94/75/599429475.db2.gz UAVJPUMHXBAZBI-HNNXBMFYSA-N 1 0 381.484 2.352 20 0 GEADRO Cc1ccc([C@H](CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[NH+](C)C)cc1 ZINC000822231073 599437564 /nfs/dbraw/zinc/43/75/64/599437564.db2.gz ZCNXVISOBODLNX-SFHVURJKSA-N 1 0 397.458 2.416 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1-c1nn[nH]n1 ZINC000821818254 599437792 /nfs/dbraw/zinc/43/77/92/599437792.db2.gz MEJBTPIWBCKADO-UHFFFAOYSA-N 1 0 396.451 2.118 20 0 GEADRO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821020526 599447524 /nfs/dbraw/zinc/44/75/24/599447524.db2.gz CSGSWMVQJFFJAB-SJORKVTESA-N 1 0 380.500 2.496 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1Cl ZINC000736135328 599451725 /nfs/dbraw/zinc/45/17/25/599451725.db2.gz PKACPRQROZRWID-UWVGGRQHSA-N 1 0 376.827 2.248 20 0 GEADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823237908 599465150 /nfs/dbraw/zinc/46/51/50/599465150.db2.gz FAZVUJJWRSWFBG-QGZVFWFLSA-N 1 0 395.442 2.080 20 0 GEADRO Cc1ccc([C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N2CCCC2)o1 ZINC000737320076 599489242 /nfs/dbraw/zinc/48/92/42/599489242.db2.gz MSCVYIMKIJRFNF-KRWDZBQOSA-N 1 0 392.467 2.343 20 0 GEADRO O[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc2ccccc2c1 ZINC000738380428 599491716 /nfs/dbraw/zinc/49/17/16/599491716.db2.gz BMJNWHBSLMOKSV-IBGZPJMESA-N 1 0 385.431 2.491 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNc2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000821628175 599497635 /nfs/dbraw/zinc/49/76/35/599497635.db2.gz CAKBSQHLFHERLE-UHFFFAOYSA-N 1 0 384.875 2.279 20 0 GEADRO Oc1cccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)CC2)c1 ZINC000823731673 599515533 /nfs/dbraw/zinc/51/55/33/599515533.db2.gz BKSIIDVLZQYOOI-UHFFFAOYSA-N 1 0 387.447 2.443 20 0 GEADRO CC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000820994084 599532574 /nfs/dbraw/zinc/53/25/74/599532574.db2.gz DDNFWSNUUXWDKL-HIFRSBDPSA-N 1 0 399.474 2.144 20 0 GEADRO CC[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000820994228 599532683 /nfs/dbraw/zinc/53/26/83/599532683.db2.gz FWIUEBXVDPRPPF-VXGBXAGGSA-N 1 0 384.406 2.167 20 0 GEADRO CC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC[N@@H+]1CCOC ZINC000820995480 599534189 /nfs/dbraw/zinc/53/41/89/599534189.db2.gz RVCRYHBSPMJNRD-OAHLLOKOSA-N 1 0 399.474 2.409 20 0 GEADRO CC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC[N@@H+]1C[C@H](C)O ZINC000820995798 599534557 /nfs/dbraw/zinc/53/45/57/599534557.db2.gz YIAPNIADUGFWLX-LSDHHAIUSA-N 1 0 381.484 2.005 20 0 GEADRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820995634 599536261 /nfs/dbraw/zinc/53/62/61/599536261.db2.gz VIBZNKNAYMFIQM-CQSZACIVSA-N 1 0 386.891 2.317 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000736179773 599554788 /nfs/dbraw/zinc/55/47/88/599554788.db2.gz FOZOXNRRXSUNTR-JKSUJKDBSA-N 1 0 384.484 2.111 20 0 GEADRO COCc1nc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000821696169 599559580 /nfs/dbraw/zinc/55/95/80/599559580.db2.gz ZMIYLUTUWUKWKA-UHFFFAOYSA-N 1 0 399.524 2.178 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000822337411 599564972 /nfs/dbraw/zinc/56/49/72/599564972.db2.gz XXHJMVGNNZEARZ-HNNXBMFYSA-N 1 0 393.495 2.058 20 0 GEADRO COC[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736967973 599575940 /nfs/dbraw/zinc/57/59/40/599575940.db2.gz CVNFCZQPVTTYSB-MNOVXSKESA-N 1 0 378.502 2.149 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC[N@@H+](C4CCCC4)CC3)o2)c1 ZINC000823737272 599577279 /nfs/dbraw/zinc/57/72/79/599577279.db2.gz CIOAAKNSLDSJIA-UHFFFAOYSA-N 1 0 394.483 2.367 20 0 GEADRO c1cnn(C[C@@H]2CCC[N@@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)c1 ZINC000738449782 599580515 /nfs/dbraw/zinc/58/05/15/599580515.db2.gz VYAASOOBWLHNAD-KRWDZBQOSA-N 1 0 375.440 2.049 20 0 GEADRO CC[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736403941 599580971 /nfs/dbraw/zinc/58/09/71/599580971.db2.gz ZQCKOCKIKJTTJB-OAHLLOKOSA-N 1 0 397.483 2.101 20 0 GEADRO C[NH+](C)C1(CNc2nc3c(cc2-c2nn[nH]n2)CCC3)Cc2ccccc2C1 ZINC000821581836 599581655 /nfs/dbraw/zinc/58/16/55/599581655.db2.gz VXVOUOAKMPDMIJ-UHFFFAOYSA-N 1 0 375.480 2.262 20 0 GEADRO O=C(CC[N@H+]1CCC[C@H](OCC(F)(F)F)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843921 599586954 /nfs/dbraw/zinc/58/69/54/599586954.db2.gz OXVFCBGHRCJJKR-AWEZNQCLSA-N 1 0 398.389 2.239 20 0 GEADRO Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335129 599590237 /nfs/dbraw/zinc/59/02/37/599590237.db2.gz QHCDPJXKQSXVPD-QFBILLFUSA-N 1 0 381.480 2.478 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000737061358 599610450 /nfs/dbraw/zinc/61/04/50/599610450.db2.gz BDFLFUKVOSJVAR-UHFFFAOYSA-N 1 0 385.472 2.358 20 0 GEADRO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321720 599635277 /nfs/dbraw/zinc/63/52/77/599635277.db2.gz LRJQVVLXCQCMMR-HNNXBMFYSA-N 1 0 384.484 2.079 20 0 GEADRO O=C(C[N@@H+]1CC[C@H](COCc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822991885 599642052 /nfs/dbraw/zinc/64/20/52/599642052.db2.gz HZPKOEVAKDDKBN-KRWDZBQOSA-N 1 0 392.463 2.344 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H](CCO)c1ccccc1 ZINC000821598095 599642630 /nfs/dbraw/zinc/64/26/30/599642630.db2.gz QOPMYHWKPZSBGM-GOSISDBHSA-N 1 0 380.452 2.251 20 0 GEADRO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821181716 599644617 /nfs/dbraw/zinc/64/46/17/599644617.db2.gz PGSNJUGEZPJCIX-OCCSQVGLSA-N 1 0 391.907 2.263 20 0 GEADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000823234435 599678986 /nfs/dbraw/zinc/67/89/86/599678986.db2.gz NGVNIJPSOBRVST-INIZCTEOSA-N 1 0 387.463 2.166 20 0 GEADRO Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C3CC3)CC2)cc1 ZINC000738598006 599948138 /nfs/dbraw/zinc/94/81/38/599948138.db2.gz NAGUGAIHMBIIKA-SFHVURJKSA-N 1 0 387.524 2.214 20 0 GEADRO C[C@H](C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736762010 600109827 /nfs/dbraw/zinc/10/98/27/600109827.db2.gz KICYOTOCOAOMTF-IXDOHACOSA-N 1 0 388.512 2.093 20 0 GEADRO CCC[C@@](C)([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C(=O)[O-] ZINC000736960195 600151490 /nfs/dbraw/zinc/15/14/90/600151490.db2.gz NCTDOUMVLPJVBU-OAQYLSRUSA-N 1 0 375.513 2.262 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1-c1nn[nH]n1 ZINC000820164354 607432306 /nfs/dbraw/zinc/43/23/06/607432306.db2.gz IWNZPJGIFVMCAR-HOTGVXAUSA-N 1 0 385.472 2.402 20 0 GEADRO CCC[C@](C)([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C(=O)[O-] ZINC000736961680 600322627 /nfs/dbraw/zinc/32/26/27/600322627.db2.gz WODDZLRLWIUOFX-NRFANRHFSA-N 1 0 375.513 2.262 20 0 GEADRO Cc1oc(NC(=O)C[NH2+]C2(c3ccccc3)CCOCC2)c(-c2nn[nH]n2)c1C ZINC000826342455 607465247 /nfs/dbraw/zinc/46/52/47/607465247.db2.gz LIXAQFLZFNMGFI-UHFFFAOYSA-N 1 0 396.451 2.311 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](C(=O)[O-])c3ccccc3F)c2)C1 ZINC000833078898 600748011 /nfs/dbraw/zinc/74/80/11/600748011.db2.gz BNMHTSRBBIVYFI-XLIONFOSSA-N 1 0 399.466 2.439 20 0 GEADRO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000827795914 600825958 /nfs/dbraw/zinc/82/59/58/600825958.db2.gz GNFFTICBEUVVNT-CQSZACIVSA-N 1 0 384.904 2.442 20 0 GEADRO CC[C@@H](O)C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000825154935 607473530 /nfs/dbraw/zinc/47/35/30/607473530.db2.gz VTRXMBLWRUCESQ-LJQANCHMSA-N 1 0 394.479 2.468 20 0 GEADRO 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ZCHJNGAMXPSHDX-HNNXBMFYSA-N 1 0 394.483 2.329 20 0 GEADRO Fc1cc(F)c(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1F ZINC000822753129 607150328 /nfs/dbraw/zinc/15/03/28/607150328.db2.gz FUNSCLPDDKSICK-UHFFFAOYSA-N 1 0 389.385 2.438 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623859 607171883 /nfs/dbraw/zinc/17/18/83/607171883.db2.gz UQDIIKHRSXALPU-IEBWSBKVSA-N 1 0 378.484 2.104 20 0 GEADRO CCOC(=O)c1ccc(-c2nn[nH]n2)c(SCC[NH+]2CCC(C)CC2)n1 ZINC000821342499 607225016 /nfs/dbraw/zinc/22/50/16/607225016.db2.gz CUGRFAOPYYTULM-UHFFFAOYSA-N 1 0 376.486 2.262 20 0 GEADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823150315 607233075 /nfs/dbraw/zinc/23/30/75/607233075.db2.gz OCHAPFSMXYBUMQ-OAHLLOKOSA-N 1 0 397.870 2.310 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000820722462 607233544 /nfs/dbraw/zinc/23/35/44/607233544.db2.gz IRAQQZQJUPRUAU-UHFFFAOYSA-N 1 0 377.880 2.157 20 0 GEADRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000819939793 607236304 /nfs/dbraw/zinc/23/63/04/607236304.db2.gz JSRDGSWXIVRFFH-HNNXBMFYSA-N 1 0 388.472 2.235 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)NCc1nnc(SC)s1)[NH+]1CCOCC1 ZINC000446096595 649971284 /nfs/dbraw/zinc/97/12/84/649971284.db2.gz TUTVGLUAEPQBRV-CYBMUJFWSA-N 1 0 387.575 2.196 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000820033044 607250977 /nfs/dbraw/zinc/25/09/77/607250977.db2.gz ROVUZCVGZMHZRR-WDYCEAGBSA-N 1 0 398.511 2.213 20 0 GEADRO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)c2ccccc2-c2nn[nH]n2)CC1 ZINC000826319508 607789359 /nfs/dbraw/zinc/78/93/59/607789359.db2.gz GSYXWRASSDLUPD-UHFFFAOYSA-N 1 0 377.452 2.450 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000824599065 607814503 /nfs/dbraw/zinc/81/45/03/607814503.db2.gz LQLBSSZBCSKHPU-LLVKDONJSA-N 1 0 393.419 2.269 20 0 GEADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826430396 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HNYQYYXCVHQNPY-SWLSCSKDSA-N 1 0 388.472 2.152 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824487340 607911829 /nfs/dbraw/zinc/91/18/29/607911829.db2.gz ANHZPBIOZGZOBQ-RDTXWAMCSA-N 1 0 383.500 2.301 20 0 GEADRO COCC[N@H+](CCc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000826158264 607921724 /nfs/dbraw/zinc/92/17/24/607921724.db2.gz HWANRQCHMCGIMF-UHFFFAOYSA-N 1 0 395.463 2.344 20 0 GEADRO Cc1noc(C)c1CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826338896 607925746 /nfs/dbraw/zinc/92/57/46/607925746.db2.gz LFGHNIUFMLHQNJ-UHFFFAOYSA-N 1 0 395.467 2.365 20 0 GEADRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)Nc1ccccc1-c1nn[nH]n1 ZINC000826406965 607943258 /nfs/dbraw/zinc/94/32/58/607943258.db2.gz VSPNMPPPHTWNBN-CRAIPNDOSA-N 1 0 396.426 2.142 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826029350 607978647 /nfs/dbraw/zinc/97/86/47/607978647.db2.gz RECKEDUHIIBGES-ZWKOTPCHSA-N 1 0 377.452 2.111 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[C@H]1c1ccccc1 ZINC000826029098 607979669 /nfs/dbraw/zinc/97/96/69/607979669.db2.gz OEKDIQDXQZQBCF-QZTJIDSGSA-N 1 0 395.442 2.250 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000826174662 607999420 /nfs/dbraw/zinc/99/94/20/607999420.db2.gz FJGDQAOJEGFTBC-UHFFFAOYSA-N 1 0 396.451 2.263 20 0 GEADRO CCc1onc(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825775950 608009095 /nfs/dbraw/zinc/00/90/95/608009095.db2.gz AHDSTABVULCXOG-UHFFFAOYSA-N 1 0 398.471 2.321 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(Cl)s2)c1-c1nn[nH]n1 ZINC000826077344 608020539 /nfs/dbraw/zinc/02/05/39/608020539.db2.gz DVEKDPRUTXCWJH-UHFFFAOYSA-N 1 0 394.892 2.028 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2cccc(Cl)c2)c1-c1nn[nH]n1 ZINC000826073093 608020831 /nfs/dbraw/zinc/02/08/31/608020831.db2.gz DPUYXKSXMDMPFT-JTQLQIEISA-N 1 0 388.863 2.137 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](Cc2ccccc2)C(C)C)c1-c1nn[nH]n1 ZINC000826073507 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CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824978968 608420682 /nfs/dbraw/zinc/42/06/82/608420682.db2.gz ZDAJAMSJTVYVPO-DNVCBOLYSA-N 1 0 395.511 2.394 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824977340 608420844 /nfs/dbraw/zinc/42/08/44/608420844.db2.gz QOQCHYUTVCGLFU-IFXJQAMLSA-N 1 0 393.495 2.148 20 0 GEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000825856644 608430805 /nfs/dbraw/zinc/43/08/05/608430805.db2.gz ZIKHIEIGFWLIJZ-UHFFFAOYSA-N 1 0 392.467 2.044 20 0 GEADRO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826208904 608459685 /nfs/dbraw/zinc/45/96/85/608459685.db2.gz FKMJEDDCUNBBRC-SWLSCSKDSA-N 1 0 387.415 2.105 20 0 GEADRO C[C@H]([NH2+]CC(=O)N(C)CCCOc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554706 608461882 /nfs/dbraw/zinc/46/18/82/608461882.db2.gz QYXQCBMGRUGEAN-INIZCTEOSA-N 1 0 394.479 2.445 20 0 GEADRO 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ZINC000826436677 608474205 /nfs/dbraw/zinc/47/42/05/608474205.db2.gz CZNJYOKDYOVPPG-UHFFFAOYSA-N 1 0 381.484 2.151 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825458776 608474881 /nfs/dbraw/zinc/47/48/81/608474881.db2.gz FTMLUKJELILWHP-SFHVURJKSA-N 1 0 397.552 2.315 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(C)(C)c1ccccc1 ZINC000824562824 608476965 /nfs/dbraw/zinc/47/69/65/608476965.db2.gz JNCHNPGZDARSST-OAHLLOKOSA-N 1 0 378.480 2.439 20 0 GEADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826224119 608498839 /nfs/dbraw/zinc/49/88/39/608498839.db2.gz PCKHVHRLUBJZGH-GOSISDBHSA-N 1 0 398.492 2.405 20 0 GEADRO Cc1ccccc1C[NH+]1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826307687 608503083 /nfs/dbraw/zinc/50/30/83/608503083.db2.gz SJEVSQRQJHZRRL-UHFFFAOYSA-N 1 0 388.479 2.141 20 0 GEADRO COc1c(C)cc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1C ZINC000826166970 608510517 /nfs/dbraw/zinc/51/05/17/608510517.db2.gz 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C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cccn2)cc1 ZINC000824570247 608550300 /nfs/dbraw/zinc/55/03/00/608550300.db2.gz MLAUVLDDPDYRSF-IFXJQAMLSA-N 1 0 375.436 2.437 20 0 GEADRO Cc1cc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000826262408 608554280 /nfs/dbraw/zinc/55/42/80/608554280.db2.gz NWKPNYFDDHPPQK-CYBMUJFWSA-N 1 0 389.456 2.439 20 0 GEADRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)nc1 ZINC000826290446 608559860 /nfs/dbraw/zinc/55/98/60/608559860.db2.gz MVTNQCRLWUXNLS-UHFFFAOYSA-N 1 0 383.481 2.482 20 0 GEADRO CC1(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)OCCO1 ZINC000824824734 608568029 /nfs/dbraw/zinc/56/80/29/608568029.db2.gz XJCNBEXARXWLOG-UHFFFAOYSA-N 1 0 381.436 2.298 20 0 GEADRO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824531368 608577836 /nfs/dbraw/zinc/57/78/36/608577836.db2.gz PFIAFTHASZDJBX-ZBEGNZNMSA-N 1 0 386.843 2.170 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 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O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000826468885 609230442 /nfs/dbraw/zinc/23/04/42/609230442.db2.gz LSNUPFDTPPOSTG-UHFFFAOYSA-N 1 0 391.479 2.323 20 0 GEADRO c1cc(-c2nnc(C[N@@H+]3CCC[C@H]3C3CCOCC3)o2)ccc1-c1nn[nH]n1 ZINC000826513055 609284138 /nfs/dbraw/zinc/28/41/38/609284138.db2.gz YWABMOPJGQEIQP-INIZCTEOSA-N 1 0 381.440 2.308 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000824469782 609285260 /nfs/dbraw/zinc/28/52/60/609285260.db2.gz BZWNNDUKLHRKQA-KBXCAEBGSA-N 1 0 384.484 2.037 20 0 GEADRO C[C@H](NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C1=CC[N@H+](C)CC1 ZINC000824478824 609285374 /nfs/dbraw/zinc/28/53/74/609285374.db2.gz IVMLARZWYXFTLV-HNNXBMFYSA-N 1 0 384.484 2.182 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000824906941 609312195 /nfs/dbraw/zinc/31/21/95/609312195.db2.gz FPEHWCBOAZVCEL-TXEJJXNPSA-N 1 0 384.419 2.003 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1-c1nn[nH]n1 ZINC000826231296 609315536 /nfs/dbraw/zinc/31/55/36/609315536.db2.gz FUSDSCPHQZRWKP-LLVKDONJSA-N 1 0 399.524 2.241 20 0 GEADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000825317755 609315968 /nfs/dbraw/zinc/31/59/68/609315968.db2.gz ACBLLMVVEVNVBJ-OAHLLOKOSA-N 1 0 383.500 2.439 20 0 GEADRO C[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824572058 609325881 /nfs/dbraw/zinc/32/58/81/609325881.db2.gz SJRTUCDUCITXCD-RDTXWAMCSA-N 1 0 396.470 2.076 20 0 GEADRO CCC[NH+]1CCC(NCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825326369 609335384 /nfs/dbraw/zinc/33/53/84/609335384.db2.gz CDBWSPDMNGONFM-UHFFFAOYSA-N 1 0 380.500 2.231 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(-c2nn[nH]n2)cc1F ZINC000824599519 609340948 /nfs/dbraw/zinc/34/09/48/609340948.db2.gz QGGKMOUECFLRLW-JTQLQIEISA-N 1 0 390.369 2.365 20 0 GEADRO Cn1cc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361401 609341787 /nfs/dbraw/zinc/34/17/87/609341787.db2.gz VWFKPUGZPDYJFQ-PXNSSMCTSA-N 1 0 381.484 2.298 20 0 GEADRO Cn1cc(C[NH2+]CC2(CCO)CCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361023 609341793 /nfs/dbraw/zinc/34/17/93/609341793.db2.gz ICDVXYZMDFSWNK-UHFFFAOYSA-N 1 0 381.484 2.300 20 0 GEADRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824393527 609342171 /nfs/dbraw/zinc/34/21/71/609342171.db2.gz SLCHEOJEKBYAAE-GUYCJALGSA-N 1 0 393.451 2.462 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000823821318 609365652 /nfs/dbraw/zinc/36/56/52/609365652.db2.gz SKXZRPIAANGAGH-AWEZNQCLSA-N 1 0 377.290 2.299 20 0 GEADRO CS[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1[NH+](C)C ZINC000826227321 609366646 /nfs/dbraw/zinc/36/66/46/609366646.db2.gz PFQBMQMSGYIQIP-KBPBESRZSA-N 1 0 397.346 2.107 20 0 GEADRO Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000826263060 609387300 /nfs/dbraw/zinc/38/73/00/609387300.db2.gz JRAAFBRTOQZYMB-QGZVFWFLSA-N 1 0 379.468 2.057 20 0 GEADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNc2ccc(Cl)c(-c3nn[nH]n3)n2)C1 ZINC000826507404 609388874 /nfs/dbraw/zinc/38/88/74/609388874.db2.gz NUDLEVWBLPBOQR-CQSZACIVSA-N 1 0 385.859 2.094 20 0 GEADRO COc1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826219577 609411216 /nfs/dbraw/zinc/41/12/16/609411216.db2.gz IJSWXUNPSAITSB-QGZVFWFLSA-N 1 0 378.436 2.161 20 0 GEADRO COCc1cccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826164971 609412760 /nfs/dbraw/zinc/41/27/60/609412760.db2.gz ZCCHXTLBVWBSPV-IBGZPJMESA-N 1 0 392.463 2.298 20 0 GEADRO O=C1[C@H]([NH2+]Cc2ccc(F)c(F)c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476241 609415818 /nfs/dbraw/zinc/41/58/18/609415818.db2.gz DCVYSMWQLHFDIV-QGZVFWFLSA-N 1 0 384.390 2.430 20 0 GEADRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824225190 609416203 /nfs/dbraw/zinc/41/62/03/609416203.db2.gz RZYDTVOYDYVBRS-NXHRZFHOSA-N 1 0 384.484 2.013 20 0 GEADRO COc1cc(F)cc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826179899 609416875 /nfs/dbraw/zinc/41/68/75/609416875.db2.gz JWOCTRSZQWTZCF-GOSISDBHSA-N 1 0 396.426 2.300 20 0 GEADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(C)C ZINC000826144141 609417000 /nfs/dbraw/zinc/41/70/00/609417000.db2.gz BZUSMVCNSXJNSR-VJUNAUMWSA-N 1 0 384.484 2.011 20 0 GEADRO c1ccc2c(c1)CC[C@@H](C[NH+]1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)C2 ZINC000826523599 609419021 /nfs/dbraw/zinc/41/90/21/609419021.db2.gz RJQVFPGCOUYRJP-MRXNPFEDSA-N 1 0 375.480 2.189 20 0 GEADRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826306413 609427749 /nfs/dbraw/zinc/42/77/49/609427749.db2.gz YFBIJMJPKHKKOR-INIZCTEOSA-N 1 0 386.843 2.090 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000446463448 649981223 /nfs/dbraw/zinc/98/12/23/649981223.db2.gz MMIOUSBMUVAZJP-UHFFFAOYSA-N 1 0 382.302 2.333 20 0 GEADRO NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826389002 609506473 /nfs/dbraw/zinc/50/64/73/609506473.db2.gz OBGGQUQMFVOSQJ-HNNXBMFYSA-N 1 0 390.369 2.072 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CCCOC1 ZINC000824531973 609513295 /nfs/dbraw/zinc/51/32/95/609513295.db2.gz SBVNQFUOLOOQHA-WOPDTQHZSA-N 1 0 378.864 2.252 20 0 GEADRO CC(C)(C)OC(=O)CCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824100469 609514714 /nfs/dbraw/zinc/51/47/14/609514714.db2.gz QHVSIYQMOJTKDE-UHFFFAOYSA-N 1 0 386.500 2.106 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825193994 609547027 /nfs/dbraw/zinc/54/70/27/609547027.db2.gz OJCLZBKRTYXYKO-CYBMUJFWSA-N 1 0 398.920 2.063 20 0 GEADRO Cc1ccnc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826312271 609559049 /nfs/dbraw/zinc/55/90/49/609559049.db2.gz ZSSYKHQEJZGFLW-MRXNPFEDSA-N 1 0 378.484 2.193 20 0 GEADRO Cc1c(Cl)cnc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1-c1nn[nH]n1 ZINC000826239050 609577201 /nfs/dbraw/zinc/57/72/01/609577201.db2.gz WWIXYTMYQIXINM-KBPBESRZSA-N 1 0 377.880 2.279 20 0 GEADRO CC(C)(C)n1cc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000824148176 609598791 /nfs/dbraw/zinc/59/87/91/609598791.db2.gz OENYFGMFKMJCQO-KRWDZBQOSA-N 1 0 394.483 2.103 20 0 GEADRO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCO1 ZINC000825182945 609599681 /nfs/dbraw/zinc/59/96/81/609599681.db2.gz MQTRADYVHZPMJN-OLMNPRSZSA-N 1 0 384.484 2.157 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)ccc1Br ZINC000446537562 649982919 /nfs/dbraw/zinc/98/29/19/649982919.db2.gz GIISJYMTAQFPIJ-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)ncc1Br ZINC000446538033 649982906 /nfs/dbraw/zinc/98/29/06/649982906.db2.gz FYJVHQUCQWWDMA-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO COc1cc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)sc1S(N)(=O)=O ZINC000446905500 649990166 /nfs/dbraw/zinc/99/01/66/649990166.db2.gz IILUAIWJBIKXKE-UHFFFAOYSA-N 1 0 383.495 2.026 20 0 GEADRO C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1scc(Br)c1Br ZINC000447250609 650003645 /nfs/dbraw/zinc/00/36/45/650003645.db2.gz NKLIGMHQTDXQOG-YFKPBYRVSA-N 1 0 392.138 2.146 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)C[C@@H]21 ZINC000447256664 650004276 /nfs/dbraw/zinc/00/42/76/650004276.db2.gz OJPQVPNEMCBNBL-NURSFMCSSA-N 1 0 377.279 2.336 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncc(Br)cc1S(N)(=O)=O ZINC000447819091 650009033 /nfs/dbraw/zinc/00/90/33/650009033.db2.gz WTIMKBRQHVPKOI-GFCCVEGCSA-N 1 0 391.335 2.024 20 0 GEADRO CN(CC[NH2+]Cc1ccnn1-c1ccccc1)S(=O)(=O)c1cccs1 ZINC000447898482 650010623 /nfs/dbraw/zinc/01/06/23/650010623.db2.gz WBXIHHUVTJUXDC-UHFFFAOYSA-N 1 0 376.507 2.344 20 0 GEADRO Cn1cc(Br)cc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1=O ZINC000448004615 650012725 /nfs/dbraw/zinc/01/27/25/650012725.db2.gz PITKCZZXUSAZDP-ZDUSSCGKSA-N 1 0 385.306 2.390 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)Cc2cc(Br)ccc2C)CC1 ZINC000448694253 650019427 /nfs/dbraw/zinc/01/94/27/650019427.db2.gz LCSZXCPDVDWARR-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000448974278 650027859 /nfs/dbraw/zinc/02/78/59/650027859.db2.gz JTRISQAOJZPBAR-UHFFFAOYSA-N 1 0 397.292 2.437 20 0 GEADRO C[N@@H+](Cc1ccnc2c(Br)cccc12)C[C@@H](O)CN1CCOCC1 ZINC000449031800 650030692 /nfs/dbraw/zinc/03/06/92/650030692.db2.gz WDZVNFGPQFCJOR-OAHLLOKOSA-N 1 0 394.313 2.122 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)[C@@H](C)O1 ZINC000449128028 650032270 /nfs/dbraw/zinc/03/22/70/650032270.db2.gz XKMPBKNRBUZHEY-CVMIBZJCSA-N 1 0 391.249 2.186 20 0 GEADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](C)CC(N)=O ZINC000449182925 650033530 /nfs/dbraw/zinc/03/35/30/650033530.db2.gz DOSUNMXOGAPPTA-SECBINFHSA-N 1 0 385.251 2.319 20 0 GEADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449186695 650033754 /nfs/dbraw/zinc/03/37/54/650033754.db2.gz JSSNBPMUYRFWSP-INIZCTEOSA-N 1 0 381.519 2.432 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2cc(F)cc(Br)c2)cn1 ZINC000449242720 650035778 /nfs/dbraw/zinc/03/57/78/650035778.db2.gz YTOLESSMKQJBMN-UHFFFAOYSA-N 1 0 398.280 2.075 20 0 GEADRO C[C@@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000449271050 650037280 /nfs/dbraw/zinc/03/72/80/650037280.db2.gz FHAVQHRRWVGWBW-LBPRGKRZSA-N 1 0 387.548 2.448 20 0 GEADRO COC(=O)c1cn(CC[NH2+]Cc2ccnc3c(Br)cccc23)nn1 ZINC000449312609 650038114 /nfs/dbraw/zinc/03/81/14/650038114.db2.gz MYULIPAJVNHYTI-UHFFFAOYSA-N 1 0 390.241 2.165 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1c(C)cnn1C ZINC000449684550 650045271 /nfs/dbraw/zinc/04/52/71/650045271.db2.gz RZQJQIRVBNPIRK-CYBMUJFWSA-N 1 0 382.302 2.440 20 0 GEADRO O=c1ccc(Br)cn1CC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000449373982 650039182 /nfs/dbraw/zinc/03/91/82/650039182.db2.gz DKDBKPAKSLTXQT-UHFFFAOYSA-N 1 0 377.286 2.396 20 0 GEADRO COc1nccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)n1 ZINC000449684593 650045312 /nfs/dbraw/zinc/04/53/12/650045312.db2.gz PRHURUFCCFLWHW-CYBMUJFWSA-N 1 0 380.286 2.497 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCCN3CCCO)cnc12 ZINC000449389360 650039867 /nfs/dbraw/zinc/03/98/67/650039867.db2.gz SDFRKCKDFQPOAL-HNNXBMFYSA-N 1 0 381.318 2.342 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1=CCOCC1 ZINC000449405673 650039977 /nfs/dbraw/zinc/03/99/77/650039977.db2.gz ZOTLBUSXCGFIRI-GFCCVEGCSA-N 1 0 383.286 2.399 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1=CCOCC1 ZINC000449405674 650040024 /nfs/dbraw/zinc/04/00/24/650040024.db2.gz ZOTLBUSXCGFIRI-LBPRGKRZSA-N 1 0 383.286 2.399 20 0 GEADRO COc1cc(Br)c(C[NH2+]C[C@H]2CCCCN2CCO)cc1OC ZINC000449394990 650040030 /nfs/dbraw/zinc/04/00/30/650040030.db2.gz OYKNCIBYUBAJKM-CQSZACIVSA-N 1 0 387.318 2.403 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000449440235 650040612 /nfs/dbraw/zinc/04/06/12/650040612.db2.gz BBBZHSBJMMIVJD-JQWIXIFHSA-N 1 0 381.311 2.437 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000449443342 650041029 /nfs/dbraw/zinc/04/10/29/650041029.db2.gz RKWCFGYUAZXQPL-JKSUJKDBSA-N 1 0 390.933 2.315 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000449442470 650041054 /nfs/dbraw/zinc/04/10/54/650041054.db2.gz KWFVICZDYNLJKJ-ZWNOBZJWSA-N 1 0 381.311 2.437 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1(CO)CC1 ZINC000449580670 650042826 /nfs/dbraw/zinc/04/28/26/650042826.db2.gz SPWIDGZUDXNVTJ-GFCCVEGCSA-N 1 0 385.302 2.215 20 0 GEADRO COCCN1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)C1 ZINC000449596325 650042929 /nfs/dbraw/zinc/04/29/29/650042929.db2.gz AWIBKVFYYVNXCZ-IRXDYDNUSA-N 1 0 385.346 2.219 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)CC(=O)N(C)C)cc1Br ZINC000449596505 650043131 /nfs/dbraw/zinc/04/31/31/650043131.db2.gz BOPUDJVZVGWCLF-JSGCOSHPSA-N 1 0 387.318 2.065 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)CC(=O)N(C)C)cc1Br ZINC000449596506 650043154 /nfs/dbraw/zinc/04/31/54/650043154.db2.gz BOPUDJVZVGWCLF-OCCSQVGLSA-N 1 0 387.318 2.065 20 0 GEADRO CN(C)c1nccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)n1 ZINC000449685973 650045708 /nfs/dbraw/zinc/04/57/08/650045708.db2.gz UOQZAETWWHMOIQ-ZDUSSCGKSA-N 1 0 397.292 2.385 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)Cn2cccn2)cc1Br ZINC000449600160 650043520 /nfs/dbraw/zinc/04/35/20/650043520.db2.gz NKRHZJSZUGXHPV-UKRRQHHQSA-N 1 0 382.302 2.484 20 0 GEADRO COC[C@@]1(CO)CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000449699417 650046467 /nfs/dbraw/zinc/04/64/67/650046467.db2.gz OYTAKTLCFDCYNB-KRWDZBQOSA-N 1 0 380.286 2.466 20 0 GEADRO CN1C(=O)C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1c1cccc(Cl)c1 ZINC000449729594 650048136 /nfs/dbraw/zinc/04/81/36/650048136.db2.gz NOADMODRMCXBKJ-SCRDCRAPSA-N 1 0 377.794 2.255 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000449739590 650048140 /nfs/dbraw/zinc/04/81/40/650048140.db2.gz LOHDXVQHYUCTHW-IAQYHMDHSA-N 1 0 385.302 2.213 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](O)C1CCC1 ZINC000449739591 650048218 /nfs/dbraw/zinc/04/82/18/650048218.db2.gz LOHDXVQHYUCTHW-NHYWBVRUSA-N 1 0 385.302 2.213 20 0 GEADRO CC[C@H]([NH2+]Cc1cc(Br)cc(Br)c1N)C(=O)NC ZINC000449767227 650049183 /nfs/dbraw/zinc/04/91/83/650049183.db2.gz AKFPJVRAVOXXFE-JTQLQIEISA-N 1 0 379.096 2.408 20 0 GEADRO CC(C)OCC[NH+]1CCN(c2ccc(I)cn2)CC1 ZINC000450366727 650064357 /nfs/dbraw/zinc/06/43/57/650064357.db2.gz UUNDJNBHLPMKPC-UHFFFAOYSA-N 1 0 375.254 2.233 20 0 GEADRO C[C@H]1C[N@H+](CCO)CCN1c1ccc(-c2ccc(Br)s2)nn1 ZINC000450953672 650076413 /nfs/dbraw/zinc/07/64/13/650076413.db2.gz LUVXXCHYSZNNBC-NSHDSACASA-N 1 0 383.315 2.470 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2cccc(F)c2Br)[C@@H](C)C1 ZINC000451043537 650081263 /nfs/dbraw/zinc/08/12/63/650081263.db2.gz XHNMNGQSACQQHL-STQMWFEESA-N 1 0 387.293 2.434 20 0 GEADRO O=S(=O)(Cc1ccc(Br)c(F)c1)NCC[NH+]1CCCCC1 ZINC000451060565 650082763 /nfs/dbraw/zinc/08/27/63/650082763.db2.gz XEPZQAYLRTVNFK-UHFFFAOYSA-N 1 0 379.295 2.494 20 0 GEADRO CN(CC[NH+]1CCCC1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451169633 650092413 /nfs/dbraw/zinc/09/24/13/650092413.db2.gz MLODTKUYYZDDTD-UHFFFAOYSA-N 1 0 379.295 2.446 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000451142268 650089843 /nfs/dbraw/zinc/08/98/43/650089843.db2.gz BGZKLFDUCAQKSX-GFCCVEGCSA-N 1 0 378.416 2.445 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451147491 650090343 /nfs/dbraw/zinc/09/03/43/650090343.db2.gz RKKKSYRRDZNFJO-CVEARBPZSA-N 1 0 381.533 2.100 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)Cc1c(F)cccc1Cl)N1CC[NH+](C)CC1 ZINC000451241211 650097468 /nfs/dbraw/zinc/09/74/68/650097468.db2.gz GAGSMSXXOBKPDU-QGZVFWFLSA-N 1 0 391.940 2.171 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)C2)CC1 ZINC000451171453 650092761 /nfs/dbraw/zinc/09/27/61/650092761.db2.gz NOOZLSDJXQAWGH-CQSZACIVSA-N 1 0 389.924 2.021 20 0 GEADRO COC[C@]1(C(=O)OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000451331286 650104452 /nfs/dbraw/zinc/10/44/52/650104452.db2.gz CUNRTNYSCJUMCC-SJCJKPOMSA-N 1 0 399.285 2.288 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H]1COCC1(C)C ZINC000451828961 650145843 /nfs/dbraw/zinc/14/58/43/650145843.db2.gz SQANFJUQYHDCOS-HNNXBMFYSA-N 1 0 385.302 2.301 20 0 GEADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000451896913 650150868 /nfs/dbraw/zinc/15/08/68/650150868.db2.gz VJBVTGLDKVBTHT-UHFFFAOYSA-N 1 0 383.436 2.421 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000452048326 650168884 /nfs/dbraw/zinc/16/88/84/650168884.db2.gz MUMNDGCENOIYRW-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO C[C@H]1C[N@H+](CCO)CCN1CCOc1ccc(Cl)cc1Br ZINC000452117632 650174792 /nfs/dbraw/zinc/17/47/92/650174792.db2.gz ODFBZBJWSNXAGY-LBPRGKRZSA-N 1 0 377.710 2.480 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)NC[C@H]1CCCC[N@H+]1CCO ZINC000452375132 650182670 /nfs/dbraw/zinc/18/26/70/650182670.db2.gz JEMSXHLBQHYZRF-LLVKDONJSA-N 1 0 391.256 2.233 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Br)c(F)cc1F ZINC000452377800 650182949 /nfs/dbraw/zinc/18/29/49/650182949.db2.gz NRVYHAQUUHNKGM-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452391011 650183619 /nfs/dbraw/zinc/18/36/19/650183619.db2.gz PFONYGMZJXKCKO-ZFWWWQNUSA-N 1 0 385.302 2.179 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000452771252 650197055 /nfs/dbraw/zinc/19/70/55/650197055.db2.gz GKWPTMLUHJDJBI-NSHDSACASA-N 1 0 393.962 2.289 20 0 GEADRO O=C(CCOc1cccc(Br)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452802535 650198033 /nfs/dbraw/zinc/19/80/33/650198033.db2.gz VGLNZHACVMALTO-HNNXBMFYSA-N 1 0 385.302 2.181 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@@H]21 ZINC000453023757 650203817 /nfs/dbraw/zinc/20/38/17/650203817.db2.gz DMYVRNVBUJFDEI-WBMJQRKESA-N 1 0 375.270 2.411 20 0 GEADRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1 ZINC000453274697 650207600 /nfs/dbraw/zinc/20/76/00/650207600.db2.gz KZXDNIBRWBVFAR-YVEFUNNKSA-N 1 0 383.901 2.034 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000453283123 650207963 /nfs/dbraw/zinc/20/79/63/650207963.db2.gz MDRIYYZDCLAAAL-MFKMUULPSA-N 1 0 396.294 2.270 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)cnc2C)CC1 ZINC000453647183 650212018 /nfs/dbraw/zinc/21/20/18/650212018.db2.gz IBHARVQZQZUJTH-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cc(Br)c(C[NH2+]CCS(=O)(=O)N2CCSCC2)s1 ZINC000453583001 650209407 /nfs/dbraw/zinc/20/94/07/650209407.db2.gz FQNKKMYHYHTXMH-UHFFFAOYSA-N 1 0 399.401 2.287 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453645747 650211733 /nfs/dbraw/zinc/21/17/33/650211733.db2.gz OVYGVHUETIYZHD-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Br)cnc2C)C[C@@H]1C ZINC000453666961 650213989 /nfs/dbraw/zinc/21/39/89/650213989.db2.gz IGWFZIHHNNRFSI-SMDDNHRTSA-N 1 0 397.317 2.422 20 0 GEADRO CCSCc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000453699216 650217456 /nfs/dbraw/zinc/21/74/56/650217456.db2.gz PRBZJVCCWBHYOB-GOSISDBHSA-N 1 0 381.567 2.432 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000453715878 650219208 /nfs/dbraw/zinc/21/92/08/650219208.db2.gz YIXYOBDCPFDYGS-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000453733028 650220804 /nfs/dbraw/zinc/22/08/04/650220804.db2.gz ISLAUXAZEARTSU-AWEZNQCLSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000453767710 650224686 /nfs/dbraw/zinc/22/46/86/650224686.db2.gz ZGZSZASPDKYGOX-ZDUSSCGKSA-N 1 0 383.290 2.034 20 0 GEADRO COc1cc(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)ccc1Br ZINC000454088974 650251898 /nfs/dbraw/zinc/25/18/98/650251898.db2.gz AKQPRGWTENRCDL-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2nc3cc(Cl)ccc3s2)C1 ZINC000454172202 650257467 /nfs/dbraw/zinc/25/74/67/650257467.db2.gz CVPCGQCZOFZOAG-LLVKDONJSA-N 1 0 380.901 2.267 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454103642 650253298 /nfs/dbraw/zinc/25/32/98/650253298.db2.gz PUQCUMMOIFXPGC-CYBMUJFWSA-N 1 0 398.301 2.337 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2nn(C)cc2Br)C1 ZINC000454395237 650265180 /nfs/dbraw/zinc/26/51/80/650265180.db2.gz XNCWPMNBRYZTFS-GFCCVEGCSA-N 1 0 386.338 2.492 20 0 GEADRO CN1CCO[C@H](CNC(=O)NCCc2ccc(Br)cc2Cl)C1 ZINC000454443408 650266946 /nfs/dbraw/zinc/26/69/46/650266946.db2.gz RIWVLWRLFKUCKI-CYBMUJFWSA-N 1 0 390.709 2.275 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1nn(C)cc1Br ZINC000454643289 650274191 /nfs/dbraw/zinc/27/41/91/650274191.db2.gz NJYYWWSDBBDJMX-XQQFMLRXSA-N 1 0 386.338 2.348 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCn1cc(Br)ccc1=O ZINC000454735013 650277655 /nfs/dbraw/zinc/27/76/55/650277655.db2.gz ZSMIEHHVRKLJGQ-OAHLLOKOSA-N 1 0 399.333 2.030 20 0 GEADRO COc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000454902233 650282432 /nfs/dbraw/zinc/28/24/32/650282432.db2.gz CMKDLOFEOCHNPJ-CYBMUJFWSA-N 1 0 386.290 2.426 20 0 GEADRO C[C@@H](CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1)[NH+](C)C ZINC000455174236 650293464 /nfs/dbraw/zinc/29/34/64/650293464.db2.gz FJIGAYJURXPXQG-VIFPVBQESA-N 1 0 384.303 3.039 20 0 GEADRO C[C@@H](CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1)[NH+](C)C ZINC000455355296 650300085 /nfs/dbraw/zinc/30/00/85/650300085.db2.gz OZFHZICSSALBEN-VIFPVBQESA-N 1 0 384.303 3.039 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2nn(C)cc2Br)C1 ZINC000455368719 650300868 /nfs/dbraw/zinc/30/08/68/650300868.db2.gz DFTPOUVSDRUKOW-ZDUSSCGKSA-N 1 0 386.338 2.350 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)C2=O)ccc1Br ZINC000455435792 650304030 /nfs/dbraw/zinc/30/40/30/650304030.db2.gz TZXKTHQLTUTEDL-SWLSCSKDSA-N 1 0 397.317 2.112 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C2=O)ccc1Br ZINC000455435793 650304351 /nfs/dbraw/zinc/30/43/51/650304351.db2.gz TZXKTHQLTUTEDL-WFASDCNBSA-N 1 0 397.317 2.112 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000455713175 650314077 /nfs/dbraw/zinc/31/40/77/650314077.db2.gz CQFRUGMBSBHLSK-LLVKDONJSA-N 1 0 379.452 2.395 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)Nc2nnc3ccc(Br)cn32)CC1 ZINC000455752093 650316173 /nfs/dbraw/zinc/31/61/73/650316173.db2.gz ITDZRELOHMLBOT-UHFFFAOYSA-N 1 0 395.305 2.734 20 0 GEADRO CN(C)c1cc(NC(=O)N2CC[NH+](CC3CC3)CC2)ncc1Br ZINC000455861240 650323156 /nfs/dbraw/zinc/32/31/56/650323156.db2.gz GKXBEXVHZXSLKT-UHFFFAOYSA-N 1 0 382.306 2.470 20 0 GEADRO CC[C@H]1CN(C(=O)Nc2cc(Br)cnc2C)CC[N@@H+]1C[C@@H](C)O ZINC000455805800 650318745 /nfs/dbraw/zinc/31/87/45/650318745.db2.gz QTIHZVRUZQYODK-RISCZKNCSA-N 1 0 385.306 2.461 20 0 GEADRO COc1c(F)cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(OC)c1F ZINC000455882301 650325241 /nfs/dbraw/zinc/32/52/41/650325241.db2.gz IZJAFXLEURJVRP-NEPJUHHUSA-N 1 0 375.441 2.491 20 0 GEADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CNC(=O)c1ccc(Br)s1 ZINC000456378272 650338343 /nfs/dbraw/zinc/33/83/43/650338343.db2.gz MCGJDCZZLAFKER-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000456253428 650335298 /nfs/dbraw/zinc/33/52/98/650335298.db2.gz AYBYGBMWWMDERT-HNNXBMFYSA-N 1 0 379.507 2.457 20 0 GEADRO O=C(CSCc1cc(-c2cccs2)on1)NCC[NH+]1CCC(O)CC1 ZINC000456584815 650350144 /nfs/dbraw/zinc/35/01/44/650350144.db2.gz IHUIFTMPWGURDQ-UHFFFAOYSA-N 1 0 381.523 2.209 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000456707688 650355875 /nfs/dbraw/zinc/35/58/75/650355875.db2.gz DBBTZVVPOUSSGT-INWMFGNUSA-N 1 0 383.330 2.222 20 0 GEADRO CC[N@H+](CC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000456709888 650356107 /nfs/dbraw/zinc/35/61/07/650356107.db2.gz FRQVINFLZCHUOY-ZDUSSCGKSA-N 1 0 387.293 2.340 20 0 GEADRO CC[C@H](C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456709962 650356440 /nfs/dbraw/zinc/35/64/40/650356440.db2.gz GBIXGHAOMXEPIM-IUODEOHRSA-N 1 0 375.282 2.196 20 0 GEADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000457056819 650373221 /nfs/dbraw/zinc/37/32/21/650373221.db2.gz MEHBMFRQBJRKPJ-CYBMUJFWSA-N 1 0 381.274 2.051 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)COc1ccc(I)cc1 ZINC000457222943 650374413 /nfs/dbraw/zinc/37/44/13/650374413.db2.gz OPXLIHMMZGCXIX-UHFFFAOYSA-N 1 0 376.238 2.126 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000457249287 650374642 /nfs/dbraw/zinc/37/46/42/650374642.db2.gz TWEBJJJOMWMDAR-UHFFFAOYSA-N 1 0 381.420 2.147 20 0 GEADRO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1Cl ZINC000500421262 650376514 /nfs/dbraw/zinc/37/65/14/650376514.db2.gz HBPVYKDIMGMSEB-UHFFFAOYSA-N 1 0 383.901 2.496 20 0 GEADRO COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500474381 650378676 /nfs/dbraw/zinc/37/86/76/650378676.db2.gz HFNVNHZCLBGXGE-SMDDNHRTSA-N 1 0 391.331 2.265 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C(C)(C)C1 ZINC000500487019 650379286 /nfs/dbraw/zinc/37/92/86/650379286.db2.gz OJJXPUPBEAXBHU-CYBMUJFWSA-N 1 0 394.313 2.355 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000500494112 650379554 /nfs/dbraw/zinc/37/95/54/650379554.db2.gz ZMVXGWBVEVMMFF-HIFRSBDPSA-N 1 0 388.917 2.309 20 0 GEADRO O=C(NCc1ccc(Br)s1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457804943 650385098 /nfs/dbraw/zinc/38/50/98/650385098.db2.gz NNZXKBXRSNUGNJ-NSHDSACASA-N 1 0 376.320 2.157 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(Br)co2)CC1 ZINC000457830165 650385896 /nfs/dbraw/zinc/38/58/96/650385896.db2.gz FHNUQVUMNYJRFQ-UHFFFAOYSA-N 1 0 389.290 2.242 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Br)cs2)C[C@H](C)[N@H+]1CCO ZINC000457830768 650385957 /nfs/dbraw/zinc/38/59/57/650385957.db2.gz XDVNBXSDSVNSEO-PHIMTYICSA-N 1 0 376.320 2.107 20 0 GEADRO O=c1n(CC[NH2+][C@H]2CCOc3c(Br)cccc32)nc2ccccn21 ZINC000501506139 650393417 /nfs/dbraw/zinc/39/34/17/650393417.db2.gz VOOQVYIVVLAKMN-AWEZNQCLSA-N 1 0 389.253 2.372 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458096681 650395023 /nfs/dbraw/zinc/39/50/23/650395023.db2.gz FOSFEBRNOUKVJL-FFSVYQOJSA-N 1 0 387.293 2.053 20 0 GEADRO CCN1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000501743238 650396904 /nfs/dbraw/zinc/39/69/04/650396904.db2.gz CKORYSDUIWUGCQ-QGZVFWFLSA-N 1 0 398.345 2.060 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[N@H+](C)CC1(C)C ZINC000501795604 650397521 /nfs/dbraw/zinc/39/75/21/650397521.db2.gz OFUVGWBYBGYEDK-UHFFFAOYSA-N 1 0 398.345 2.312 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2cc(C(=O)OC)cs2)c1 ZINC000502189139 650402833 /nfs/dbraw/zinc/40/28/33/650402833.db2.gz WWUNTMVJCPXDAP-UHFFFAOYSA-N 1 0 382.507 2.465 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000502268707 650404411 /nfs/dbraw/zinc/40/44/11/650404411.db2.gz HDGRPOOCQANVJB-LBPRGKRZSA-N 1 0 390.311 2.207 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)COc3ccccc3Br)[C@H]2C1 ZINC000502659181 650409484 /nfs/dbraw/zinc/40/94/84/650409484.db2.gz AHWZUQJGNPCELW-GOEBONIOSA-N 1 0 383.286 2.150 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458727716 650409487 /nfs/dbraw/zinc/40/94/87/650409487.db2.gz IQKQXNZNRDNLHI-UKPHBRMFSA-N 1 0 396.329 2.451 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3COc4ccc(Br)cc43)[C@H]2C1 ZINC000502703640 650410481 /nfs/dbraw/zinc/41/04/81/650410481.db2.gz MLQFTGLFKWVWMI-YQQAZPJKSA-N 1 0 395.297 2.247 20 0 GEADRO CC[NH+](CC)CC(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000503011641 650413778 /nfs/dbraw/zinc/41/37/78/650413778.db2.gz DBMUHABVYAQVCS-UHFFFAOYSA-N 1 0 377.869 2.200 20 0 GEADRO O=C(NCc1cn2cc(Br)ccc2n1)N1CC[NH+](C2CCC2)CC1 ZINC000503068401 650414099 /nfs/dbraw/zinc/41/40/99/650414099.db2.gz XUNSOWWWDDYXIN-UHFFFAOYSA-N 1 0 392.301 2.477 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@@H]1[NH+](C)C ZINC000503205676 650415724 /nfs/dbraw/zinc/41/57/24/650415724.db2.gz CLNOLMXWZPWXNM-KBPBESRZSA-N 1 0 383.564 2.476 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(C)ccc2Br)C[C@H]1[NH+](C)C ZINC000503211562 650415872 /nfs/dbraw/zinc/41/58/72/650415872.db2.gz JGTRPQIYSIRXSF-OLZOCXBDSA-N 1 0 393.372 2.424 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1OCC ZINC000503211601 650415925 /nfs/dbraw/zinc/41/59/25/650415925.db2.gz JXMXCXTXTCYJBA-RHSMWYFYSA-N 1 0 388.555 2.150 20 0 GEADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000503522189 650419276 /nfs/dbraw/zinc/41/92/76/650419276.db2.gz JIUKTFMQQHHDTQ-LSDHHAIUSA-N 1 0 385.555 2.105 20 0 GEADRO C[C@H]1NC(=O)N(CC[N@H+](C)CC2(c3ccc(Br)cc3)CC2)C1=O ZINC000459349541 650422889 /nfs/dbraw/zinc/42/28/89/650422889.db2.gz XPBNOHUCHYPPDE-GFCCVEGCSA-N 1 0 380.286 2.353 20 0 GEADRO NC(=O)Cn1cc(C[NH2+]CC2(c3cccc(Br)c3)CCCC2)nn1 ZINC000459428574 650424080 /nfs/dbraw/zinc/42/40/80/650424080.db2.gz BLSOFNJWKSYJCA-UHFFFAOYSA-N 1 0 392.301 2.128 20 0 GEADRO CC(C)C[C@H](NCc1cccc(O)c1Br)C(=O)NCC[NH+](C)C ZINC000459446380 650424494 /nfs/dbraw/zinc/42/44/94/650424494.db2.gz FIDNNIUPAWJISY-AWEZNQCLSA-N 1 0 386.334 2.337 20 0 GEADRO C[C@H]1NC(=O)N(CC[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)C1=O ZINC000459527229 650427531 /nfs/dbraw/zinc/42/75/31/650427531.db2.gz YJVQJVDPDCTWPZ-SECBINFHSA-N 1 0 376.404 2.282 20 0 GEADRO CC(C)[NH+](CCN(C)C(=O)CNC(=O)c1ccc(Br)o1)C(C)C ZINC000504119803 650427594 /nfs/dbraw/zinc/42/75/94/650427594.db2.gz KXYPSMZKIIEGIA-UHFFFAOYSA-N 1 0 388.306 2.349 20 0 GEADRO CN(C[C@H]1CCCN(Cc2cccc(O)c2Br)C1)S(C)(=O)=O ZINC000459547001 650428218 /nfs/dbraw/zinc/42/82/18/650428218.db2.gz VDDJJYJTTIINDP-GFCCVEGCSA-N 1 0 391.331 2.258 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000504205360 650428455 /nfs/dbraw/zinc/42/84/55/650428455.db2.gz RPIFWMQTVNNPFS-WWGRRREGSA-N 1 0 383.945 2.387 20 0 GEADRO CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+]C1(CO)CCSCC1 ZINC000459700862 650429835 /nfs/dbraw/zinc/42/98/35/650429835.db2.gz BXHNAXJXIOHTGR-UHFFFAOYSA-N 1 0 386.539 2.273 20 0 GEADRO CC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459700049 650429874 /nfs/dbraw/zinc/42/98/74/650429874.db2.gz MJOLEOUYSWDFPF-AWEZNQCLSA-N 1 0 387.293 2.340 20 0 GEADRO Cc1c(Br)cc(CN2C[C@H](CO)[C@H](O)C2)cc1Br ZINC000459714149 650430868 /nfs/dbraw/zinc/43/08/68/650430868.db2.gz TVEPIAUPDFNLMN-ZWNOBZJWSA-N 1 0 379.092 2.305 20 0 GEADRO Cn1nccc1[C@@H](CO)NCC(=O)Nc1ccc(Br)cc1Cl ZINC000459749290 650431663 /nfs/dbraw/zinc/43/16/63/650431663.db2.gz JPAGEKLFSODGPB-GFCCVEGCSA-N 1 0 387.665 2.098 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000459924122 650435381 /nfs/dbraw/zinc/43/53/81/650435381.db2.gz DNLVPSIMLRJGRA-INIZCTEOSA-N 1 0 396.329 2.350 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c(Br)c1 ZINC000505013972 650434329 /nfs/dbraw/zinc/43/43/29/650434329.db2.gz NULRISHDJZXIKC-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO COCC[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000505018477 650434374 /nfs/dbraw/zinc/43/43/74/650434374.db2.gz KUMZDFRDMUUBQL-DOTOQJQBSA-N 1 0 390.311 2.437 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[NH+]1CCC1 ZINC000505392857 650437251 /nfs/dbraw/zinc/43/72/51/650437251.db2.gz ZGLJZRPNOPWBFV-OAHLLOKOSA-N 1 0 382.302 2.025 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000460001451 650437920 /nfs/dbraw/zinc/43/79/20/650437920.db2.gz TXNTYQLRPWCYEO-UHFFFAOYSA-N 1 0 388.331 2.023 20 0 GEADRO CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000460040559 650438694 /nfs/dbraw/zinc/43/86/94/650438694.db2.gz AAFGIMHRTFOFKW-UHFFFAOYSA-N 1 0 384.318 2.208 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C[C@H]1[NH+]1CCCC1 ZINC000460114648 650439390 /nfs/dbraw/zinc/43/93/90/650439390.db2.gz VNNAOYTXWZYKLY-RRFJBIMHSA-N 1 0 379.492 2.299 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C[C@@H]1[NH+]1CCCC1 ZINC000460114646 650439419 /nfs/dbraw/zinc/43/94/19/650439419.db2.gz VNNAOYTXWZYKLY-QLFBSQMISA-N 1 0 379.492 2.299 20 0 GEADRO C[NH+](C)CCN(C(=O)c1n[nH]c2ccc(I)cc21)C1CC1 ZINC000505672001 650439806 /nfs/dbraw/zinc/43/98/06/650439806.db2.gz YGNRCNRITHHWGO-UHFFFAOYSA-N 1 0 398.248 2.334 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)CCn2cc(Br)cn2)C1 ZINC000460249625 650440709 /nfs/dbraw/zinc/44/07/09/650440709.db2.gz FTTKXVNOOJHJBN-CQSZACIVSA-N 1 0 386.338 2.407 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000460267102 650440949 /nfs/dbraw/zinc/44/09/49/650440949.db2.gz DQNPBIBUCMPKQP-QGZVFWFLSA-N 1 0 384.318 2.093 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000460279153 650441205 /nfs/dbraw/zinc/44/12/05/650441205.db2.gz XRPAGHGSFORNMJ-WMLDXEAASA-N 1 0 384.318 2.136 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000460279151 650441226 /nfs/dbraw/zinc/44/12/26/650441226.db2.gz XRPAGHGSFORNMJ-PBHICJAKSA-N 1 0 384.318 2.136 20 0 GEADRO C[NH+](C)CCOCCNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000460833925 650446496 /nfs/dbraw/zinc/44/64/96/650446496.db2.gz VLIICSYZZVZTLX-UHFFFAOYSA-N 1 0 397.317 2.350 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCn1cc(Br)ccc1=O ZINC000461262572 650451386 /nfs/dbraw/zinc/45/13/86/650451386.db2.gz KFGZXBCATFTBQS-OAHLLOKOSA-N 1 0 384.318 2.334 20 0 GEADRO COc1ccc(NC(=O)[C@@H](C)[NH3+])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000506663317 650448811 /nfs/dbraw/zinc/44/88/11/650448811.db2.gz VZXIRKFMDAWCQI-SNVBAGLBSA-N 1 0 383.857 2.435 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000461896339 650462017 /nfs/dbraw/zinc/46/20/17/650462017.db2.gz GFAVJNSTOPKGBQ-BXUZGUMPSA-N 1 0 376.906 2.112 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000461896317 650462109 /nfs/dbraw/zinc/46/21/09/650462109.db2.gz GBRXFWDZTWVWOD-NSHDSACASA-N 1 0 397.722 2.469 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000461980274 650463334 /nfs/dbraw/zinc/46/33/34/650463334.db2.gz BDVPEJJGCCNOLR-OCCSQVGLSA-N 1 0 386.323 2.451 20 0 GEADRO COCCN1CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000462039767 650464922 /nfs/dbraw/zinc/46/49/22/650464922.db2.gz ZOBHADSTGFEQNA-UHFFFAOYSA-N 1 0 398.345 2.269 20 0 GEADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(Br)c1 ZINC000462047534 650465132 /nfs/dbraw/zinc/46/51/32/650465132.db2.gz OXZKHQBDBFBIMZ-SWLSCSKDSA-N 1 0 382.302 2.009 20 0 GEADRO C[C@@H]1CSC[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000507647484 650466022 /nfs/dbraw/zinc/46/60/22/650466022.db2.gz OUACFKQFMIFELJ-CZUORRHYSA-N 1 0 379.551 2.042 20 0 GEADRO CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462095256 650467630 /nfs/dbraw/zinc/46/76/30/650467630.db2.gz ZYYCZAJZSPIZIP-AWEZNQCLSA-N 1 0 375.332 2.395 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)CCc1ccccc1Br ZINC000462098002 650467846 /nfs/dbraw/zinc/46/78/46/650467846.db2.gz OGGNPBPIRYTZHH-MLGOLLRUSA-N 1 0 387.343 2.394 20 0 GEADRO CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C)CC1 ZINC000507971471 650470969 /nfs/dbraw/zinc/47/09/69/650470969.db2.gz ZCHOVIBRSTVBFW-UHFFFAOYSA-N 1 0 381.322 2.361 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462390792 650477607 /nfs/dbraw/zinc/47/76/07/650477607.db2.gz HBGDDUIGDXKJPA-KDOFPFPSSA-N 1 0 380.330 2.481 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462390794 650477698 /nfs/dbraw/zinc/47/76/98/650477698.db2.gz HBGDDUIGDXKJPA-RDTXWAMCSA-N 1 0 380.330 2.481 20 0 GEADRO C[C@H]1CN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)[C@@H](C)CO1 ZINC000462501007 650482088 /nfs/dbraw/zinc/48/20/88/650482088.db2.gz CDAYWHHQMDGYNF-GJZGRUSLSA-N 1 0 389.949 2.058 20 0 GEADRO C[C@H]1C[N@H+](CCCNC(=O)CCOCC(F)(F)C(F)(F)F)CCCO1 ZINC000508559171 650482284 /nfs/dbraw/zinc/48/22/84/650482284.db2.gz VQKHCSODLWPMFT-LBPRGKRZSA-N 1 0 376.366 2.208 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000508977125 650485287 /nfs/dbraw/zinc/48/52/87/650485287.db2.gz JKUFKOLBHKNYCS-QWHCGFSZSA-N 1 0 375.416 2.385 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000462689190 650488472 /nfs/dbraw/zinc/48/84/72/650488472.db2.gz VCEQHKRVFHFVIA-IUODEOHRSA-N 1 0 380.901 2.116 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000509196513 650489358 /nfs/dbraw/zinc/48/93/58/650489358.db2.gz RWMXSHWMCCFXRM-ZIAGYGMSSA-N 1 0 395.345 2.324 20 0 GEADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)N(C)CCOC)c1ccc(Cl)cc1 ZINC000509625086 650497403 /nfs/dbraw/zinc/49/74/03/650497403.db2.gz XEPQYVPOSQFLLW-MRXNPFEDSA-N 1 0 377.938 2.136 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000462874644 650491863 /nfs/dbraw/zinc/49/18/63/650491863.db2.gz QJGZHYNOYFLCJN-WCQYABFASA-N 1 0 398.301 2.304 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC1 ZINC000509477426 650494259 /nfs/dbraw/zinc/49/42/59/650494259.db2.gz DUGNEVVLHGCQMX-UHFFFAOYSA-N 1 0 381.933 2.169 20 0 GEADRO Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H]3CN(C)CCO3)C2=O)ccc1Br ZINC000463408333 650495135 /nfs/dbraw/zinc/49/51/35/650495135.db2.gz DGQGXPOTUUFINM-NVXWUHKLSA-N 1 0 396.329 2.173 20 0 GEADRO CCN1CCN(C(=O)[C@H](C)[N@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463412746 650495200 /nfs/dbraw/zinc/49/52/00/650495200.db2.gz JEBIVQKDRWKKDQ-HNNXBMFYSA-N 1 0 382.346 2.476 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000509644043 650498451 /nfs/dbraw/zinc/49/84/51/650498451.db2.gz PUVSVQSPYLYACV-UHFFFAOYSA-N 1 0 382.302 2.088 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000509942317 650503871 /nfs/dbraw/zinc/50/38/71/650503871.db2.gz IIAQTCLVRUSDAJ-UHFFFAOYSA-N 1 0 395.308 2.495 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000466983962 650500691 /nfs/dbraw/zinc/50/06/91/650500691.db2.gz WVXHZMHEPMULNE-UHFFFAOYSA-N 1 0 382.346 2.433 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000467067099 650502330 /nfs/dbraw/zinc/50/23/30/650502330.db2.gz XVTBWRYCNMBSDH-OTYXRUKQSA-N 1 0 384.249 2.126 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000468129923 650504260 /nfs/dbraw/zinc/50/42/60/650504260.db2.gz MUZZCVSLSOEZMF-OAHLLOKOSA-N 1 0 382.302 2.026 20 0 GEADRO O=C(COc1cccc(I)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000468788512 650506896 /nfs/dbraw/zinc/50/68/96/650506896.db2.gz BRLWXMBXJHGQPQ-GFCCVEGCSA-N 1 0 386.233 2.023 20 0 GEADRO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000510134236 650507321 /nfs/dbraw/zinc/50/73/21/650507321.db2.gz OSOHRSUTFGCMJK-FZNQNYSPSA-N 1 0 385.302 2.396 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNCc2ncc(I)s2)C1 ZINC000510175543 650507995 /nfs/dbraw/zinc/50/79/95/650507995.db2.gz KZFWMLVUDBGZKO-NSHDSACASA-N 1 0 395.310 2.194 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(Br)cn1 ZINC000470615370 650514330 /nfs/dbraw/zinc/51/43/30/650514330.db2.gz VTGCIHCUSPDIEE-UPJWGTAASA-N 1 0 390.347 2.489 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000470687416 650515574 /nfs/dbraw/zinc/51/55/74/650515574.db2.gz FLBJVRRNKFBLDM-OAHLLOKOSA-N 1 0 387.571 2.092 20 0 GEADRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(Br)cn1)[NH+](C)C ZINC000473958841 650525729 /nfs/dbraw/zinc/52/57/29/650525729.db2.gz VBQHIYYQUFLJOY-ZDUSSCGKSA-N 1 0 378.336 2.489 20 0 GEADRO Cc1cccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1I ZINC000473257593 650525757 /nfs/dbraw/zinc/52/57/57/650525757.db2.gz XRZNHOORGKZQPC-OAHLLOKOSA-N 1 0 390.265 2.032 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000474080555 650526723 /nfs/dbraw/zinc/52/67/23/650526723.db2.gz LABICCINLYHIJQ-UHFFFAOYSA-N 1 0 377.304 2.174 20 0 GEADRO CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000511123730 650527027 /nfs/dbraw/zinc/52/70/27/650527027.db2.gz QZASECYZJVCMLS-HNNXBMFYSA-N 1 0 380.432 2.484 20 0 GEADRO CN(C)S(=O)(=O)[C@H]1CCCN(CCOc2ccc(Br)cc2)C1 ZINC000511145260 650528269 /nfs/dbraw/zinc/52/82/69/650528269.db2.gz MCGDCQYBJQLNGM-HNNXBMFYSA-N 1 0 391.331 2.184 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000511381814 650535448 /nfs/dbraw/zinc/53/54/48/650535448.db2.gz JOXCMNHTCNIYIX-GFCCVEGCSA-N 1 0 386.290 2.041 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCc1cc(F)c(F)cc1Br ZINC000511375034 650535548 /nfs/dbraw/zinc/53/55/48/650535548.db2.gz BDEQJCMDWAXIGT-UHFFFAOYSA-N 1 0 394.260 2.447 20 0 GEADRO CNC(=O)NC(=O)C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000475743368 650536777 /nfs/dbraw/zinc/53/67/77/650536777.db2.gz GUCQSANBANADPD-HNNXBMFYSA-N 1 0 391.269 2.173 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000475775958 650537481 /nfs/dbraw/zinc/53/74/81/650537481.db2.gz BRFAKSHJDYYEJP-UHFFFAOYSA-N 1 0 376.507 2.444 20 0 GEADRO C[C@](CO)([NH2+]C[C@@H](O)COCc1ccco1)c1ccc(Br)cc1 ZINC000511552096 650538602 /nfs/dbraw/zinc/53/86/02/650538602.db2.gz FYQLUKMSCLKKSO-NVXWUHKLSA-N 1 0 384.270 2.417 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000511936884 650542625 /nfs/dbraw/zinc/54/26/25/650542625.db2.gz BZKCYWRXWNZIQC-UHFFFAOYSA-N 1 0 398.345 2.476 20 0 GEADRO COCC(C)(C)C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512851928 650555102 /nfs/dbraw/zinc/55/51/02/650555102.db2.gz QYMNBFJAIIOXBM-UHFFFAOYSA-N 1 0 393.347 2.380 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](C)C3(S(C)(=O)=O)CC3)cnc12 ZINC000512852970 650555127 /nfs/dbraw/zinc/55/51/27/650555127.db2.gz YUPCVGUZQWGTGM-NSHDSACASA-N 1 0 386.315 2.461 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000512869199 650555538 /nfs/dbraw/zinc/55/55/38/650555538.db2.gz OUTFDVHWFQGYNW-DZGCQCFKSA-N 1 0 380.539 2.403 20 0 GEADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000512971162 650555560 /nfs/dbraw/zinc/55/55/60/650555560.db2.gz AKLARAJMKNSQTO-ZDUSSCGKSA-N 1 0 379.295 2.492 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cccc2nccn21 ZINC000513011940 650556144 /nfs/dbraw/zinc/55/61/44/650556144.db2.gz KKMIKYNLRXAQJN-UHFFFAOYSA-N 1 0 378.885 2.364 20 0 GEADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000513010977 650556350 /nfs/dbraw/zinc/55/63/50/650556350.db2.gz ABVULPIAZDOYJP-ZDUSSCGKSA-N 1 0 379.295 2.492 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c(Br)c1 ZINC000513033616 650556744 /nfs/dbraw/zinc/55/67/44/650556744.db2.gz WTGPRBJBJWQUSN-ZDUSSCGKSA-N 1 0 391.331 2.361 20 0 GEADRO CN(CCC[NH+]1CCCC1)c1c(F)cc(S(N)(=O)=O)cc1Br ZINC000513064552 650557345 /nfs/dbraw/zinc/55/73/45/650557345.db2.gz MXALJOUBYGJTOF-UHFFFAOYSA-N 1 0 394.310 2.158 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000477006204 650565614 /nfs/dbraw/zinc/56/56/14/650565614.db2.gz LHHMWYOAGLGATP-NSHDSACASA-N 1 0 390.347 2.316 20 0 GEADRO C[C@@H](c1ccccc1Cl)N1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000513964341 650572317 /nfs/dbraw/zinc/57/23/17/650572317.db2.gz HBEZIELOHUGRRB-HOTGVXAUSA-N 1 0 385.961 2.300 20 0 GEADRO COc1ccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1I ZINC000477229087 650572439 /nfs/dbraw/zinc/57/24/39/650572439.db2.gz PAVQLPPPNOYGBO-LLVKDONJSA-N 1 0 388.249 2.466 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000477116343 650568948 /nfs/dbraw/zinc/56/89/48/650568948.db2.gz OSPOKGTWDOGIPS-GJZGRUSLSA-N 1 0 376.494 2.474 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000514602865 650574970 /nfs/dbraw/zinc/57/49/70/650574970.db2.gz GQJAUKHXQDRDOT-STQMWFEESA-N 1 0 396.329 2.181 20 0 GEADRO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000514730535 650577862 /nfs/dbraw/zinc/57/78/62/650577862.db2.gz PLSNBINSMMYYIV-JKSUJKDBSA-N 1 0 394.313 2.009 20 0 GEADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CCN2C1=O ZINC000514799264 650579704 /nfs/dbraw/zinc/57/97/04/650579704.db2.gz QHXNJNIGQMNCLM-SKDRFNHKSA-N 1 0 376.766 2.135 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000514850364 650580886 /nfs/dbraw/zinc/58/08/86/650580886.db2.gz JFAZGFZWUSEGFZ-QGZVFWFLSA-N 1 0 395.301 2.067 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000514856810 650581369 /nfs/dbraw/zinc/58/13/69/650581369.db2.gz CINOIWFLJJFPCK-RBZYPMLTSA-N 1 0 378.238 2.024 20 0 GEADRO COc1c(Br)cc(Br)cc1CN1CCO[C@H](C[NH3+])C1 ZINC000478050056 650581979 /nfs/dbraw/zinc/58/19/79/650581979.db2.gz ZOLKGZHRVVYSCJ-LLVKDONJSA-N 1 0 394.107 2.380 20 0 GEADRO C[C@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)[NH+]1CC(C)C1 ZINC000514869713 650582095 /nfs/dbraw/zinc/58/20/95/650582095.db2.gz AJDNQQPQBWUYML-OAHLLOKOSA-N 1 0 380.330 2.434 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCCC[NH2+]3)C2=O)ccc1Br ZINC000514939433 650583739 /nfs/dbraw/zinc/58/37/39/650583739.db2.gz LDRWHIQNWBIIAN-GJZGRUSLSA-N 1 0 380.286 2.121 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000515003477 650584437 /nfs/dbraw/zinc/58/44/37/650584437.db2.gz YGQLIJAESRJPNV-CVEARBPZSA-N 1 0 394.313 2.151 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCS1 ZINC000515015249 650584639 /nfs/dbraw/zinc/58/46/39/650584639.db2.gz QMLLNIXXJCPMRO-XJKSGUPXSA-N 1 0 383.945 2.413 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccncc2Br)CC1 ZINC000478441090 650585782 /nfs/dbraw/zinc/58/57/82/650585782.db2.gz DTPIEZQSBQUIFX-UHFFFAOYSA-N 1 0 377.242 2.210 20 0 GEADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CCn1cc(Br)ccc1=O ZINC000515062105 650585868 /nfs/dbraw/zinc/58/58/68/650585868.db2.gz OMTRIIIAQKLHMJ-MRXNPFEDSA-N 1 0 390.281 2.086 20 0 GEADRO CS[C@H]1CN(C(=O)CSCC(=O)Nc2cccc(C)c2)C[C@H]1[NH+](C)C ZINC000478452378 650585918 /nfs/dbraw/zinc/58/59/18/650585918.db2.gz ARXDGHRFYAIOAQ-CVEARBPZSA-N 1 0 381.567 2.171 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000515134501 650587190 /nfs/dbraw/zinc/58/71/90/650587190.db2.gz WWABYZSJSQEGPR-NSHDSACASA-N 1 0 380.290 2.466 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(Br)ccc2Br)C1 ZINC000478579327 650587956 /nfs/dbraw/zinc/58/79/56/650587956.db2.gz KIMFDBYMXJXDSC-ZDUSSCGKSA-N 1 0 392.091 2.008 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)CCO1 ZINC000478711962 650590459 /nfs/dbraw/zinc/59/04/59/650590459.db2.gz HKHCQRUZAYUCPI-CQSZACIVSA-N 1 0 396.310 2.301 20 0 GEADRO NC(=O)[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cccc(Br)c1 ZINC000478855382 650592073 /nfs/dbraw/zinc/59/20/73/650592073.db2.gz FVHCFDBWCAXIOK-OAHLLOKOSA-N 1 0 375.270 2.475 20 0 GEADRO COC(=O)c1cc(NC(=O)[C@H]([NH3+])CCSC)cc(Br)c1F ZINC000515352291 650592214 /nfs/dbraw/zinc/59/22/14/650592214.db2.gz UBNSUMJEORCRHD-SNVBAGLBSA-N 1 0 379.251 2.394 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000479030398 650594483 /nfs/dbraw/zinc/59/44/83/650594483.db2.gz SIFWTKRXGFUEAJ-HNNXBMFYSA-N 1 0 382.302 2.406 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000479036251 650594828 /nfs/dbraw/zinc/59/48/28/650594828.db2.gz UZHBYIYAGSHFSR-DGCLKSJQSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)CN(C)C ZINC000479070964 650595431 /nfs/dbraw/zinc/59/54/31/650595431.db2.gz QVIPTNBROMNCNS-DOMZBBRYSA-N 1 0 376.282 2.124 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000479079759 650595947 /nfs/dbraw/zinc/59/59/47/650595947.db2.gz QLMISOCOBLVANS-UHFFFAOYSA-N 1 0 384.307 2.420 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)COc1ncccc1Br ZINC000517019572 650601665 /nfs/dbraw/zinc/60/16/65/650601665.db2.gz QFBFGPBIOZGCMA-WCQYABFASA-N 1 0 385.306 2.299 20 0 GEADRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479387892 650602462 /nfs/dbraw/zinc/60/24/62/650602462.db2.gz JMSPKMITLWPSGH-MEBBXXQBSA-N 1 0 397.324 2.081 20 0 GEADRO CO[C@@]1(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCOC1 ZINC000479433025 650603375 /nfs/dbraw/zinc/60/33/75/650603375.db2.gz XDSZSEXJEVVAIG-YMTOWFKASA-N 1 0 383.297 2.097 20 0 GEADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479454078 650603941 /nfs/dbraw/zinc/60/39/41/650603941.db2.gz PQJZHGCFODTUCJ-KGLIPLIRSA-N 1 0 378.336 2.371 20 0 GEADRO C[C@H]([NH2+]CCc1ccn(C)n1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479453705 650603964 /nfs/dbraw/zinc/60/39/64/650603964.db2.gz JZRQYCVMGMJRKT-VIFPVBQESA-N 1 0 377.297 2.268 20 0 GEADRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479459071 650604157 /nfs/dbraw/zinc/60/41/57/650604157.db2.gz VKSPKGPCJZCACW-LKFCYVNXSA-N 1 0 397.324 2.079 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1)c1ccc(Br)cc1 ZINC000518529637 650605504 /nfs/dbraw/zinc/60/55/04/650605504.db2.gz PYNQFGURVSYPRC-HWPZZCPQSA-N 1 0 395.257 2.118 20 0 GEADRO COc1ccc(Br)c(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000479610375 650607509 /nfs/dbraw/zinc/60/75/09/650607509.db2.gz DUFPBCOKKRMMHW-UHFFFAOYSA-N 1 0 396.285 2.412 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)[N@H+](C)C1CC1 ZINC000519610588 650609360 /nfs/dbraw/zinc/60/93/60/650609360.db2.gz RGWAITNSJDSDFK-HZMBPMFUSA-N 1 0 380.286 2.474 20 0 GEADRO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccccc1I ZINC000519716343 650611347 /nfs/dbraw/zinc/61/13/47/650611347.db2.gz YEYKBLBCHCYMHC-MRXNPFEDSA-N 1 0 399.276 2.305 20 0 GEADRO CN(CC[NH+](C)C)C(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000480083590 650615551 /nfs/dbraw/zinc/61/55/51/650615551.db2.gz HOXOVFZQDKSDMM-UHFFFAOYSA-N 1 0 387.571 2.383 20 0 GEADRO CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480175859 650616864 /nfs/dbraw/zinc/61/68/64/650616864.db2.gz CUIIPQNYABDIOR-JIMOISOXSA-N 1 0 394.356 2.370 20 0 GEADRO CSCC[C@H](CO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480179624 650617314 /nfs/dbraw/zinc/61/73/14/650617314.db2.gz KKCBIRYLAIIMSP-DGCLKSJQSA-N 1 0 394.356 2.371 20 0 GEADRO COCC[C@@](C)(O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480236929 650618312 /nfs/dbraw/zinc/61/83/12/650618312.db2.gz WOXOARMSHGTPKS-DZGCQCFKSA-N 1 0 392.315 2.045 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000521679595 650618696 /nfs/dbraw/zinc/61/86/96/650618696.db2.gz XMOOZNZLFRROBH-GDBMZVCRSA-N 1 0 379.913 2.208 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000521943655 650620512 /nfs/dbraw/zinc/62/05/12/650620512.db2.gz JXZKNMNDPPXVRK-SJORKVTESA-N 1 0 391.940 2.486 20 0 GEADRO Cc1nnc([C@H]2CC[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)[nH]1 ZINC000521980053 650621184 /nfs/dbraw/zinc/62/11/84/650621184.db2.gz YLYJIDLFPYOSKI-SMDDNHRTSA-N 1 0 399.264 2.244 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)CCC2CC[NH2+]CC2)cc1Br ZINC000521993916 650621403 /nfs/dbraw/zinc/62/14/03/650621403.db2.gz ONPMDHHIIFGDNP-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc(I)c1 ZINC000480601180 650625683 /nfs/dbraw/zinc/62/56/83/650625683.db2.gz MAYMFHXZDPMSFD-LLVKDONJSA-N 1 0 396.294 2.300 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1Br ZINC000480678596 650627748 /nfs/dbraw/zinc/62/77/48/650627748.db2.gz HZCKVJOKZKHLRA-NSHDSACASA-N 1 0 379.320 2.466 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(I)cc2)C1 ZINC000522851646 650628685 /nfs/dbraw/zinc/62/86/85/650628685.db2.gz IAJSVBWYWZFGRK-CYBMUJFWSA-N 1 0 389.237 2.133 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480711809 650628982 /nfs/dbraw/zinc/62/89/82/650628982.db2.gz RKQHACGCRWTCBS-AWEZNQCLSA-N 1 0 382.448 2.427 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Br)cn2)C1 ZINC000522893248 650629119 /nfs/dbraw/zinc/62/91/19/650629119.db2.gz DWFISWCAQVJMFC-STQMWFEESA-N 1 0 390.347 2.490 20 0 GEADRO C[C@@H](CNC(=O)NCc1n[nH]cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000523169175 650632339 /nfs/dbraw/zinc/63/23/39/650632339.db2.gz HHFYEBFEBGYSJF-LBPRGKRZSA-N 1 0 392.301 2.418 20 0 GEADRO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000523201135 650632690 /nfs/dbraw/zinc/63/26/90/650632690.db2.gz HDTGRQAGZBIGCA-CYBMUJFWSA-N 1 0 394.313 2.403 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480827787 650634002 /nfs/dbraw/zinc/63/40/02/650634002.db2.gz KPULVFQJZVBXQB-UHFFFAOYSA-N 1 0 377.388 2.446 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2ccc(Br)cc2)CCSC1 ZINC000481015166 650639966 /nfs/dbraw/zinc/63/99/66/650639966.db2.gz QJGMCLKICKHIMG-CQSZACIVSA-N 1 0 393.372 2.306 20 0 GEADRO C[C@H](CNC(=O)CCCOc1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000524386876 650640824 /nfs/dbraw/zinc/64/08/24/650640824.db2.gz GQSLVKLRMHKVEW-OAHLLOKOSA-N 1 0 398.345 2.360 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000524776116 650646329 /nfs/dbraw/zinc/64/63/29/650646329.db2.gz VBQQACNUGHHIRY-KGLIPLIRSA-N 1 0 394.313 2.260 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000525197314 650651509 /nfs/dbraw/zinc/65/15/09/650651509.db2.gz RTOGWCYROBVJCH-SNVBAGLBSA-N 1 0 398.248 2.239 20 0 GEADRO OC[C@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@@H]1CCOC1 ZINC000481836159 650654269 /nfs/dbraw/zinc/65/42/69/650654269.db2.gz NEFDQOVPQLAXAH-ZJUUUORDSA-N 1 0 397.203 2.304 20 0 GEADRO CSc1nnc(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000525840331 650658730 /nfs/dbraw/zinc/65/87/30/650658730.db2.gz ZJYZWPSHVOUXNX-UHFFFAOYSA-N 1 0 387.600 2.421 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000527040772 650665755 /nfs/dbraw/zinc/66/57/55/650665755.db2.gz KGCULNVLINYOIF-UHFFFAOYSA-N 1 0 387.571 2.413 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000527043749 650665909 /nfs/dbraw/zinc/66/59/09/650665909.db2.gz LXQAOAYBOMAZIR-ZIAGYGMSSA-N 1 0 390.933 2.374 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000483285436 650676246 /nfs/dbraw/zinc/67/62/46/650676246.db2.gz JYMZQFZWKMKBAR-UHFFFAOYSA-N 1 0 385.917 2.438 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000482935602 650671568 /nfs/dbraw/zinc/67/15/68/650671568.db2.gz HKZDXXPFPNDSIJ-UHFFFAOYSA-N 1 0 384.293 2.328 20 0 GEADRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(Br)cn1 ZINC000527506592 650677241 /nfs/dbraw/zinc/67/72/41/650677241.db2.gz HBLXAVSOBMIVQK-CQSZACIVSA-N 1 0 398.349 2.232 20 0 GEADRO NC(=O)[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1cccc(Br)c1 ZINC000527530848 650677602 /nfs/dbraw/zinc/67/76/02/650677602.db2.gz JJDXTWGLROATFE-MRXNPFEDSA-N 1 0 390.285 2.024 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cnn(CCC(F)(F)F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483393858 650678183 /nfs/dbraw/zinc/67/81/83/650678183.db2.gz KLUJWPFYQQOBLX-UONOGXRCSA-N 1 0 376.448 2.487 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNCc2ncc(Cl)cc2Br)C1 ZINC000527652131 650681348 /nfs/dbraw/zinc/68/13/48/650681348.db2.gz BOKLFABLSIZONC-LLVKDONJSA-N 1 0 389.725 2.175 20 0 GEADRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cncc(Br)c1 ZINC000527957070 650683674 /nfs/dbraw/zinc/68/36/74/650683674.db2.gz RSLLNFCRMZRYOD-GUYCJALGSA-N 1 0 384.318 2.111 20 0 GEADRO COc1ccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1Br ZINC000527751486 650682101 /nfs/dbraw/zinc/68/21/01/650682101.db2.gz CDKUBJXMBAVVQZ-SFHVURJKSA-N 1 0 399.329 2.163 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Br)C1CC1 ZINC000483878491 650682675 /nfs/dbraw/zinc/68/26/75/650682675.db2.gz IEESSCLRWVYNCA-GFCCVEGCSA-N 1 0 388.693 2.497 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000484711835 650689035 /nfs/dbraw/zinc/68/90/35/650689035.db2.gz ZSYADWXLMQJZHB-LBPRGKRZSA-N 1 0 380.290 2.190 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000484766039 650690152 /nfs/dbraw/zinc/69/01/52/650690152.db2.gz XCFIVINPDJSERZ-GFCCVEGCSA-N 1 0 390.527 2.086 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000528351615 650690167 /nfs/dbraw/zinc/69/01/67/650690167.db2.gz QMXLINKPSHZPMD-LBPRGKRZSA-N 1 0 382.452 2.085 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN2CCc3cc(Br)ccc3C2)CC1 ZINC000483974816 650683936 /nfs/dbraw/zinc/68/39/36/650683936.db2.gz FTZYFGDNZQQHAP-UHFFFAOYSA-N 1 0 380.330 2.408 20 0 GEADRO CC[C@H](C(=O)NC[C@H](O)COc1ccccc1Br)[NH+](CC)CC ZINC000483996190 650684153 /nfs/dbraw/zinc/68/41/53/650684153.db2.gz WJIJGTLTKDJJLM-DZGCQCFKSA-N 1 0 387.318 2.425 20 0 GEADRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000484153388 650685454 /nfs/dbraw/zinc/68/54/54/650685454.db2.gz ARCZCKYCQBVOTA-NHYWBVRUSA-N 1 0 383.290 2.386 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484939526 650691390 /nfs/dbraw/zinc/69/13/90/650691390.db2.gz SBCGRRJKMXDTQW-TUAOUCFPSA-N 1 0 387.265 2.287 20 0 GEADRO C[N@H+](CCN1CCN(C(=O)[C@H]2C[C@]2(C)Br)CC1)Cc1ccccc1 ZINC000528420614 650693069 /nfs/dbraw/zinc/69/30/69/650693069.db2.gz LLGYZKQBVILIBK-MJGOQNOKSA-N 1 0 394.357 2.436 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528690116 650698188 /nfs/dbraw/zinc/69/81/88/650698188.db2.gz RLKVBLLGFZSZOU-LBPRGKRZSA-N 1 0 391.273 2.436 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000485628837 650698253 /nfs/dbraw/zinc/69/82/53/650698253.db2.gz ORQSYVOYAYQBHG-QGZVFWFLSA-N 1 0 395.345 2.371 20 0 GEADRO C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000485671795 650698385 /nfs/dbraw/zinc/69/83/85/650698385.db2.gz KIHMSEJMOLNWIR-LBPRGKRZSA-N 1 0 378.416 2.401 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc2c(cc1Cl)OCCO2 ZINC000528552947 650696411 /nfs/dbraw/zinc/69/64/11/650696411.db2.gz PRGWPLJJMTZKDR-ZDUSSCGKSA-N 1 0 386.901 2.406 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1cc(Br)ccc1Br ZINC000528669741 650697340 /nfs/dbraw/zinc/69/73/40/650697340.db2.gz ODZCALLSYMJFNI-VIFPVBQESA-N 1 0 393.079 2.322 20 0 GEADRO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000528664718 650697371 /nfs/dbraw/zinc/69/73/71/650697371.db2.gz ZBIYZMMRINCSEB-UHFFFAOYSA-N 1 0 386.283 2.168 20 0 GEADRO COc1cc(NC(=O)NC2(C[NH3+])CCOCC2)cc(OC)c1Br ZINC000528684458 650697744 /nfs/dbraw/zinc/69/77/44/650697744.db2.gz GBEJDTXIZVZNFY-UHFFFAOYSA-N 1 0 388.262 2.096 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485597336 650697768 /nfs/dbraw/zinc/69/77/68/650697768.db2.gz FQYUQTYGSPMRRV-UHFFFAOYSA-N 1 0 382.302 2.008 20 0 GEADRO COc1cc(OC)c(NC(=O)NC2(C[NH3+])CCOCC2)cc1Br ZINC000528688248 650697802 /nfs/dbraw/zinc/69/78/02/650697802.db2.gz MPBAJTFHDIAHMP-UHFFFAOYSA-N 1 0 388.262 2.096 20 0 GEADRO C[C@]1(Br)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000528915231 650699063 /nfs/dbraw/zinc/69/90/63/650699063.db2.gz IUWWPHPPBIKTPS-KONPQCLYSA-N 1 0 381.314 2.159 20 0 GEADRO CC[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1cc(F)cc(Br)c1 ZINC000485692892 650699150 /nfs/dbraw/zinc/69/91/50/650699150.db2.gz GVHSKHYUGODEDY-AWEZNQCLSA-N 1 0 384.249 2.227 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(O)cc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000528928606 650699238 /nfs/dbraw/zinc/69/92/38/650699238.db2.gz DSIPKBRGILYKKB-GUYCJALGSA-N 1 0 396.329 2.253 20 0 GEADRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCc2c(Br)cccc2C1 ZINC000485775403 650700254 /nfs/dbraw/zinc/70/02/54/650700254.db2.gz LWKPLEMRVHJZBA-NSHDSACASA-N 1 0 375.270 2.448 20 0 GEADRO Cn1c(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)nc2ccc(Br)cc21 ZINC000485835044 650701223 /nfs/dbraw/zinc/70/12/23/650701223.db2.gz YIXGPLBFBHBAIT-AWEZNQCLSA-N 1 0 395.301 2.096 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000529321554 650702714 /nfs/dbraw/zinc/70/27/14/650702714.db2.gz IWZRKAMHLYSEDZ-KGLIPLIRSA-N 1 0 387.311 2.250 20 0 GEADRO C[N@H+](CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCSC1 ZINC000485969298 650703944 /nfs/dbraw/zinc/70/39/44/650703944.db2.gz VGJLTCGVUSYUAX-NWDGAFQWSA-N 1 0 393.336 2.287 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486248313 650709877 /nfs/dbraw/zinc/70/98/77/650709877.db2.gz CYTWWKCXCIJEDO-UHFFFAOYSA-N 1 0 378.922 2.328 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000486446429 650713914 /nfs/dbraw/zinc/71/39/14/650713914.db2.gz NJZSXUSDLCAOMM-MWLCHTKSSA-N 1 0 389.880 2.056 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000486294869 650711210 /nfs/dbraw/zinc/71/12/10/650711210.db2.gz RPYOMHRBDOYOPI-UKRRQHHQSA-N 1 0 396.329 2.112 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)CN(C)S(=O)(=O)CC)c1ccccc1Cl ZINC000486622586 650716702 /nfs/dbraw/zinc/71/67/02/650716702.db2.gz BEFJIKWOIGJQCN-INIZCTEOSA-N 1 0 389.949 2.121 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)[C@H]2C1 ZINC000486641357 650717594 /nfs/dbraw/zinc/71/75/94/650717594.db2.gz BJNHWWKUCUGWDP-WFASDCNBSA-N 1 0 378.416 2.342 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000530346009 650722479 /nfs/dbraw/zinc/72/24/79/650722479.db2.gz XUAWBAVCYLRRHP-HNNXBMFYSA-N 1 0 387.571 2.092 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000486901445 650724828 /nfs/dbraw/zinc/72/48/28/650724828.db2.gz JFPNVBIBRZHNDT-GLQYFDAESA-N 1 0 383.286 2.319 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c(Br)c1 ZINC000530535108 650725620 /nfs/dbraw/zinc/72/56/20/650725620.db2.gz XNJWMNCYPOMJGZ-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000530920259 650731072 /nfs/dbraw/zinc/73/10/72/650731072.db2.gz YAOJSDMMXHTYOF-LBPRGKRZSA-N 1 0 398.301 2.305 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000531007245 650733207 /nfs/dbraw/zinc/73/32/07/650733207.db2.gz FXDMMOHXOXETAJ-LBPRGKRZSA-N 1 0 385.306 2.417 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487425995 650733423 /nfs/dbraw/zinc/73/34/23/650733423.db2.gz HEZSAOZSBKCUGV-CXAGYDPISA-N 1 0 396.329 2.436 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487425997 650733444 /nfs/dbraw/zinc/73/34/44/650733444.db2.gz HEZSAOZSBKCUGV-DYVFJYSZSA-N 1 0 396.329 2.436 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531044806 650733793 /nfs/dbraw/zinc/73/37/93/650733793.db2.gz XNADNFYZFHWHCW-LLVKDONJSA-N 1 0 382.302 2.462 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000487511013 650734929 /nfs/dbraw/zinc/73/49/29/650734929.db2.gz ZAJVKLGEQWIJCR-MLGOLLRUSA-N 1 0 377.286 2.449 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000487528580 650735134 /nfs/dbraw/zinc/73/51/34/650735134.db2.gz UOPHQAFWIXLKIP-BBRMVZONSA-N 1 0 398.320 2.430 20 0 GEADRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000487786389 650738042 /nfs/dbraw/zinc/73/80/42/650738042.db2.gz CDERRMJXLHYTRN-QGZVFWFLSA-N 1 0 396.329 2.066 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000487897460 650739185 /nfs/dbraw/zinc/73/91/85/650739185.db2.gz NVNTUGJKGIPCDU-UHFFFAOYSA-N 1 0 385.306 2.419 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000487982962 650740637 /nfs/dbraw/zinc/74/06/37/650740637.db2.gz JGBCVINHSZNXIE-UHFFFAOYSA-N 1 0 385.306 2.419 20 0 GEADRO Cc1nc(-c2ccccc2)sc1C(=O)NNC(=S)NCCC[NH+](C)C ZINC000007382188 642338817 /nfs/dbraw/zinc/33/88/17/642338817.db2.gz WWDNZSQGHQXZEV-UHFFFAOYSA-N 1 0 377.539 2.179 20 0 GEADRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000531688945 650742857 /nfs/dbraw/zinc/74/28/57/650742857.db2.gz MRYMREYWLOQZTP-LBPRGKRZSA-N 1 0 381.274 2.409 20 0 GEADRO CC[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCc1cccs1 ZINC000532513429 650749049 /nfs/dbraw/zinc/74/90/49/650749049.db2.gz ZBHDOFRHRKHVAH-UHFFFAOYSA-N 1 0 381.523 2.289 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN2C(=O)S/C(=C\c3cccs3)C2=O)CC1 ZINC000023206197 642411161 /nfs/dbraw/zinc/41/11/61/642411161.db2.gz IDUKYYAOOZVCTP-UVTDQMKNSA-N 1 0 379.507 2.385 20 0 GEADRO CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000025811991 642428029 /nfs/dbraw/zinc/42/80/29/642428029.db2.gz BNPYKRCOLBFHIJ-INIZCTEOSA-N 1 0 381.523 2.079 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000489122287 650755061 /nfs/dbraw/zinc/75/50/61/650755061.db2.gz JRHPHNKWYQRYRZ-HOTGVXAUSA-N 1 0 386.901 2.422 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccccc2Br)[C@@H](C)C1 ZINC000489183746 650755522 /nfs/dbraw/zinc/75/55/22/650755522.db2.gz JNWIQTULCRJLCD-KBPBESRZSA-N 1 0 384.318 2.088 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccccc2Br)[C@@H](C)C1 ZINC000489183748 650755607 /nfs/dbraw/zinc/75/56/07/650755607.db2.gz JNWIQTULCRJLCD-UONOGXRCSA-N 1 0 384.318 2.088 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)c2ccc(I)c(O)c2)CC[N@@H+]1C ZINC000489328090 650757743 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O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cnc1Cl ZINC000041066294 642524717 /nfs/dbraw/zinc/52/47/17/642524717.db2.gz TTZYEVRVXDIAGW-SECBINFHSA-N 1 0 394.722 2.260 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)cnc1Cl ZINC000041066388 642524891 /nfs/dbraw/zinc/52/48/91/642524891.db2.gz YOPGRORSAHMYDL-GHMZBOCLSA-N 1 0 394.722 2.403 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1 ZINC000489906093 650765268 /nfs/dbraw/zinc/76/52/68/650765268.db2.gz JLBDCZHFDUCNSW-CJNGLKHVSA-N 1 0 387.571 2.309 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000041324091 642528721 /nfs/dbraw/zinc/52/87/21/642528721.db2.gz DICXOLJKDMVQSH-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000041890744 642535212 /nfs/dbraw/zinc/53/52/12/642535212.db2.gz QGZMRXUJXAKKGE-GFCCVEGCSA-N 1 0 380.286 2.297 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042056015 642540617 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COc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCC(C)CC1 ZINC000045745103 642595409 /nfs/dbraw/zinc/59/54/09/642595409.db2.gz PRFDCNCOTFRNSL-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ncn(C)c1Cl ZINC000045796926 642596833 /nfs/dbraw/zinc/59/68/33/642596833.db2.gz PHVZMLUTZHIAAH-HIFRSBDPSA-N 1 0 380.901 2.379 20 0 GEADRO C[NH+](C)C1(CNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CCC1 ZINC000490194236 650769938 /nfs/dbraw/zinc/76/99/38/650769938.db2.gz LYUNXYCHMCFFOS-AWEZNQCLSA-N 1 0 388.281 2.405 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2F)C[C@H]1[NH+](C)C ZINC000534172198 650770119 /nfs/dbraw/zinc/77/01/19/650770119.db2.gz RDHPRLTXGAITEA-VXGBXAGGSA-N 1 0 397.335 2.254 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)NNC(=O)c2ccccc2Br)C1 ZINC000046382274 642611252 /nfs/dbraw/zinc/61/12/52/642611252.db2.gz GDOSEEUKCYRFQG-LBPRGKRZSA-N 1 0 383.290 2.125 20 0 GEADRO C[N@H+](CC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@H]1CCSC1 ZINC000534307830 650772071 /nfs/dbraw/zinc/77/20/71/650772071.db2.gz DFPIUYKTXLDQHA-AAEUAGOBSA-N 1 0 385.892 2.138 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@H]2COc3ccc(Br)cc32)CCSC1 ZINC000533957439 650767766 /nfs/dbraw/zinc/76/77/66/650767766.db2.gz FZHYPUNYMCQVGR-XJKSGUPXSA-N 1 0 385.327 2.479 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000049048387 642666490 /nfs/dbraw/zinc/66/64/90/642666490.db2.gz OKSOCIPFTMXFQI-ZDUSSCGKSA-N 1 0 388.295 2.405 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(F)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000490102605 650768668 /nfs/dbraw/zinc/76/86/68/650768668.db2.gz FGHWGJALDGCETL-CQSZACIVSA-N 1 0 390.908 2.450 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000049993241 642673597 /nfs/dbraw/zinc/67/35/97/642673597.db2.gz GWSVVYFKPJCTID-IRXDYDNUSA-N 1 0 380.330 2.306 20 0 GEADRO Cc1cc(Br)c(NC(=O)CN2CC[C@H]([NH3+])C2)c(Br)c1 ZINC000050243526 642679106 /nfs/dbraw/zinc/67/91/06/642679106.db2.gz YSNQJHPZYFNZEK-VIFPVBQESA-N 1 0 391.107 2.492 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000051189208 642692353 /nfs/dbraw/zinc/69/23/53/642692353.db2.gz POKSTNDOLZWCCL-UHFFFAOYSA-N 1 0 388.896 2.392 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000052594088 642723279 /nfs/dbraw/zinc/72/32/79/642723279.db2.gz SMZNFZUEQUUWLJ-OAHLLOKOSA-N 1 0 396.333 2.160 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000491013229 650782332 /nfs/dbraw/zinc/78/23/32/650782332.db2.gz ZCDFERYQACCZJK-GDBMZVCRSA-N 1 0 382.302 2.356 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000053809781 642739814 /nfs/dbraw/zinc/73/98/14/642739814.db2.gz PEGHJIVIXPVKRX-LLVKDONJSA-N 1 0 388.331 2.231 20 0 GEADRO COC1CC[NH+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000053906891 642743273 /nfs/dbraw/zinc/74/32/73/642743273.db2.gz UDBWCMBPKQEFDM-UHFFFAOYSA-N 1 0 385.302 2.397 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CCSCC2)C[C@@H]1[NH+](C)C ZINC000534826466 650781008 /nfs/dbraw/zinc/78/10/08/650781008.db2.gz QATCUFIGRIZYET-KSZLIROESA-N 1 0 379.595 2.281 20 0 GEADRO CN(CC(=O)N1CC[NH+](C2CCCC2)CC1)C(=O)c1ccc(Br)o1 ZINC000054710817 642757049 /nfs/dbraw/zinc/75/70/49/642757049.db2.gz UFTQBMNJIKARFX-UHFFFAOYSA-N 1 0 398.301 2.201 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000055279511 642772756 /nfs/dbraw/zinc/77/27/56/642772756.db2.gz RRQKYRQYRRMSLR-UHFFFAOYSA-N 1 0 388.896 2.274 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)COc1ccc(I)cc1)C1CC1 ZINC000055718377 642780951 /nfs/dbraw/zinc/78/09/51/642780951.db2.gz RLWPXTDARPPCQY-CQSZACIVSA-N 1 0 388.249 2.126 20 0 GEADRO C[N@H+](CCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000491856781 650789063 /nfs/dbraw/zinc/78/90/63/650789063.db2.gz JRABVSUTJRIDCJ-CYBMUJFWSA-N 1 0 381.318 2.421 20 0 GEADRO CCOC(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000056997019 642800044 /nfs/dbraw/zinc/80/00/44/642800044.db2.gz RBQSVLVDQRPMBN-UHFFFAOYSA-N 1 0 386.290 2.085 20 0 GEADRO CCOc1cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc(Br)c1OC ZINC000491182418 650783762 /nfs/dbraw/zinc/78/37/62/650783762.db2.gz JUMZGDIIMYYBTH-HNNXBMFYSA-N 1 0 398.345 2.336 20 0 GEADRO CCOc1cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc(Br)c1OC ZINC000491182419 650783855 /nfs/dbraw/zinc/78/38/55/650783855.db2.gz JUMZGDIIMYYBTH-OAHLLOKOSA-N 1 0 398.345 2.336 20 0 GEADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H]1CC(C)(C)C)S(C)(=O)=O ZINC000057862978 642819543 /nfs/dbraw/zinc/81/95/43/642819543.db2.gz WGNCKMJOEVCTEE-MRXNPFEDSA-N 1 0 375.579 2.063 20 0 GEADRO Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c(Br)c1 ZINC000535095008 650785070 /nfs/dbraw/zinc/78/50/70/650785070.db2.gz JLQYIRPLFUMVBI-UHFFFAOYSA-N 1 0 396.329 2.430 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000491342161 650785330 /nfs/dbraw/zinc/78/53/30/650785330.db2.gz IBDGGYDDNBKMCX-UHFFFAOYSA-N 1 0 394.313 2.281 20 0 GEADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Br)o1)[NH+]1CCC(C)CC1 ZINC000060162053 642833907 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O=C(CN1CC[NH+](CCc2cccs2)CC1)Nc1nc2c(s1)CCC2 ZINC000064352445 642873571 /nfs/dbraw/zinc/87/35/71/642873571.db2.gz UWLQTZLWJLNLTO-UHFFFAOYSA-N 1 0 376.551 2.492 20 0 GEADRO Cc1nc(N[C@@H](CO)CC(F)(F)F)cc(N[C@H](CO)CC(F)(F)F)[nH+]1 ZINC000535986983 650793079 /nfs/dbraw/zinc/79/30/79/650793079.db2.gz PXHQNRQVXZTVEV-DTORHVGOSA-N 1 0 376.301 2.235 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(OCCO)CC1 ZINC000536002129 650793616 /nfs/dbraw/zinc/79/36/16/650793616.db2.gz IDEUOIVODIKGRJ-AWEZNQCLSA-N 1 0 399.329 2.269 20 0 GEADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCNc1cc[nH+]cc1 ZINC000536014649 650794177 /nfs/dbraw/zinc/79/41/77/650794177.db2.gz VCJWRBURPHFIGE-NSHDSACASA-N 1 0 381.263 2.157 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2coc(Br)c2)CC1 ZINC000066343821 642910318 /nfs/dbraw/zinc/91/03/18/642910318.db2.gz LHHGVAURUTWWJU-UHFFFAOYSA-N 1 0 379.258 2.119 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000536171294 650797572 /nfs/dbraw/zinc/79/75/72/650797572.db2.gz KMGBEPGROQLXPP-GFCCVEGCSA-N 1 0 378.274 2.101 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc3cccnc32)C1 ZINC000536187391 650798036 /nfs/dbraw/zinc/79/80/36/650798036.db2.gz VSFNOOMRSGUOOY-CQSZACIVSA-N 1 0 378.270 2.448 20 0 GEADRO CCC[NH+](CCC)CCCC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000066844030 642941739 /nfs/dbraw/zinc/94/17/39/642941739.db2.gz HOPDXINGXYRSEH-UHFFFAOYSA-N 1 0 375.579 2.161 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000067548544 642971025 /nfs/dbraw/zinc/97/10/25/642971025.db2.gz XPNHJGPTJNZRAL-CYBMUJFWSA-N 1 0 381.527 2.481 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000067548545 642971258 /nfs/dbraw/zinc/97/12/58/642971258.db2.gz XPNHJGPTJNZRAL-ZDUSSCGKSA-N 1 0 381.527 2.481 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)s1 ZINC000068346279 642990296 /nfs/dbraw/zinc/99/02/96/642990296.db2.gz LIUULDSUFILDMQ-ZDUSSCGKSA-N 1 0 387.571 2.488 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 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HQISHSKGCUIZHB-CVEARBPZSA-N 1 0 394.313 2.355 20 0 GEADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000068990407 643018532 /nfs/dbraw/zinc/01/85/32/643018532.db2.gz UHZLFMSVFOMTAR-UHFFFAOYSA-N 1 0 388.896 2.391 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000069515128 643033822 /nfs/dbraw/zinc/03/38/22/643033822.db2.gz SVUVLWXPSFFUOP-UHFFFAOYSA-N 1 0 384.318 2.334 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc(Br)ccc2=O)C1 ZINC000069514990 643033863 /nfs/dbraw/zinc/03/38/63/643033863.db2.gz DLVIGTIFBFZGOF-AWEZNQCLSA-N 1 0 384.318 2.238 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCOc1ccccc1Br ZINC000069577490 643035765 /nfs/dbraw/zinc/03/57/65/643035765.db2.gz YRBGQZDYJYMOAS-AWEZNQCLSA-N 1 0 385.302 2.445 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000536845383 650808459 /nfs/dbraw/zinc/80/84/59/650808459.db2.gz KQFUZDWRTZWOPR-LLVKDONJSA-N 1 0 390.278 2.237 20 0 GEADRO [NH3+]CC[C@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000070170585 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382.511 2.048 20 0 GEADRO Cc1cc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)cnc1Cl ZINC000080821848 643064536 /nfs/dbraw/zinc/06/45/36/643064536.db2.gz JUMIOPBMXNLTIX-UHFFFAOYSA-N 1 0 375.922 2.211 20 0 GEADRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000091711476 643066301 /nfs/dbraw/zinc/06/63/01/643066301.db2.gz ITZJRMASNLXILM-NEPJUHHUSA-N 1 0 384.274 2.460 20 0 GEADRO Cn1nccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000091843607 643067806 /nfs/dbraw/zinc/06/78/06/643067806.db2.gz UGPYPBNXJIIWTF-UHFFFAOYSA-N 1 0 378.274 2.428 20 0 GEADRO NC(=O)c1csc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000092644567 643072253 /nfs/dbraw/zinc/07/22/53/643072253.db2.gz QSJDESDJVQTNFX-UHFFFAOYSA-N 1 0 377.535 2.479 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](CCO)CCCO ZINC000093323897 643076195 /nfs/dbraw/zinc/07/61/95/643076195.db2.gz DLTXUCAUYVOGPQ-UHFFFAOYSA-N 1 0 382.302 2.428 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2c(Br)cc(OC)cc2OC)CC1 ZINC000093739855 643079477 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CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]([NH3+])CCSC)c(F)cc1F ZINC000494872976 650818390 /nfs/dbraw/zinc/81/83/90/650818390.db2.gz IGSIKFISOUJHQH-LLVKDONJSA-N 1 0 381.470 2.135 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000494709081 650814545 /nfs/dbraw/zinc/81/45/45/650814545.db2.gz KHOFPZQSDDZEPD-SECBINFHSA-N 1 0 395.294 2.239 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000102021741 643120687 /nfs/dbraw/zinc/12/06/87/643120687.db2.gz JHXKRQXDTCLWGL-UHFFFAOYSA-N 1 0 399.333 2.208 20 0 GEADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)C1 ZINC000102924315 643146089 /nfs/dbraw/zinc/14/60/89/643146089.db2.gz NJFOLEJCAUCEGE-MRXNPFEDSA-N 1 0 394.313 2.155 20 0 GEADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000102950906 643148821 /nfs/dbraw/zinc/14/88/21/643148821.db2.gz FHNQKFQUBXAPSA-NWDGAFQWSA-N 1 0 382.921 2.246 20 0 GEADRO O=C([C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Br)cc1)N1CCOCC1 ZINC000103481802 643167506 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O=S1(=O)CCCN1CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000105474048 643206746 /nfs/dbraw/zinc/20/67/46/643206746.db2.gz BAZGUEXGJWYSIR-UHFFFAOYSA-N 1 0 399.257 2.176 20 0 GEADRO C[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000105420008 643206770 /nfs/dbraw/zinc/20/67/70/643206770.db2.gz PHINTVLEQGILSD-GFCCVEGCSA-N 1 0 379.507 2.343 20 0 GEADRO O=S1(=O)CCCN1CC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000105473431 643206908 /nfs/dbraw/zinc/20/69/08/643206908.db2.gz AEFFIAOFMLNMKL-UHFFFAOYSA-N 1 0 377.293 2.394 20 0 GEADRO CCOCC[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000106104889 643221495 /nfs/dbraw/zinc/22/14/95/643221495.db2.gz FSFGFPYEQOOZHD-HNNXBMFYSA-N 1 0 377.312 2.387 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000495399774 650824925 /nfs/dbraw/zinc/82/49/25/650824925.db2.gz KPHYQZFDSVRMRB-CYBMUJFWSA-N 1 0 397.317 2.419 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccc(Cl)s2)c1 ZINC000106246589 643226643 /nfs/dbraw/zinc/22/66/43/643226643.db2.gz 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C[NH+](C)[C@H](CNC(=O)CCn1cc(Br)ccc1=O)c1cccs1 ZINC000119850566 643574926 /nfs/dbraw/zinc/57/49/26/643574926.db2.gz XCAODWKJOVWXFG-CYBMUJFWSA-N 1 0 398.326 2.482 20 0 GEADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000498157463 650849452 /nfs/dbraw/zinc/84/94/52/650849452.db2.gz QEIQCPKJVJKHKN-STQMWFEESA-N 1 0 383.480 2.106 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000120091286 643591575 /nfs/dbraw/zinc/59/15/75/643591575.db2.gz NUMIIUORLFTRJB-UHFFFAOYSA-N 1 0 384.318 2.238 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2Cl)C1 ZINC000120301794 643598774 /nfs/dbraw/zinc/59/87/74/643598774.db2.gz RBZTZIIUGRBPCY-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCn1cc(Br)ccc1=O ZINC000120543439 643617635 /nfs/dbraw/zinc/61/76/35/643617635.db2.gz WQVSTXQROLEXME-CQSZACIVSA-N 1 0 384.318 2.382 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000120564162 643619225 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C[C@@H]1C[C@H](NS(=O)(=O)c2cn(C)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000124530513 643686936 /nfs/dbraw/zinc/68/69/36/643686936.db2.gz IXWVFDNKPLLTNF-UKRRQHHQSA-N 1 0 382.917 2.405 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000124978653 643696959 /nfs/dbraw/zinc/69/69/59/643696959.db2.gz WLIYSNSXKHZFTD-GHMZBOCLSA-N 1 0 375.288 2.200 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)s1 ZINC000125060785 643699741 /nfs/dbraw/zinc/69/97/41/643699741.db2.gz QXHKPTGCFSLZNO-HNNXBMFYSA-N 1 0 387.571 2.173 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)s1 ZINC000125060572 643699802 /nfs/dbraw/zinc/69/98/02/643699802.db2.gz QXHKPTGCFSLZNO-OAHLLOKOSA-N 1 0 387.571 2.173 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000125080681 643700350 /nfs/dbraw/zinc/70/03/50/643700350.db2.gz VVQJXGGAEJDWCO-IAQYHMDHSA-N 1 0 388.249 2.465 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1nc2ncc(Br)cn2n1 ZINC000126302016 643727346 /nfs/dbraw/zinc/72/73/46/643727346.db2.gz UYHLTMMNWMPIGI-ZDUSSCGKSA-N 1 0 395.305 2.271 20 0 GEADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc(Br)ccc1=O ZINC000126368253 643730280 /nfs/dbraw/zinc/73/02/80/643730280.db2.gz PVFUMTKLGSUCTK-OAHLLOKOSA-N 1 0 384.318 2.382 20 0 GEADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccncc1Br ZINC000127005537 643754685 /nfs/dbraw/zinc/75/46/85/643754685.db2.gz YAIHZPHHNGXERQ-CABCVRRESA-N 1 0 390.281 2.209 20 0 GEADRO Cc1[nH]c(=S)sc1CC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000127147347 643759715 /nfs/dbraw/zinc/75/97/15/643759715.db2.gz VAMWAZUABJQDIC-GJZGRUSLSA-N 1 0 377.535 2.034 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)cc1 ZINC000127206565 643763500 /nfs/dbraw/zinc/76/35/00/643763500.db2.gz WHBKYMLAGAGAQG-CABCVRRESA-N 1 0 390.571 2.191 20 0 GEADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000127251329 643766407 /nfs/dbraw/zinc/76/64/07/643766407.db2.gz DONSIMMVNVXKQF-RYUDHWBXSA-N 1 0 383.286 2.314 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NNC(=O)c1ccccc1Br ZINC000127538822 643778694 /nfs/dbraw/zinc/77/86/94/643778694.db2.gz RGGIJRYUAFIJIN-GFCCVEGCSA-N 1 0 383.290 2.268 20 0 GEADRO C[C@H]([NH2+]CCc1nccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000127861128 643788067 /nfs/dbraw/zinc/78/80/67/643788067.db2.gz OYEXGSVXFGDPDG-AWEZNQCLSA-N 1 0 381.523 2.057 20 0 GEADRO COC(=O)c1nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)c1Br ZINC000129261924 643818883 /nfs/dbraw/zinc/81/88/83/643818883.db2.gz PCGCBVWDFFIKKV-STQMWFEESA-N 1 0 385.306 2.114 20 0 GEADRO COC[C@@H](O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000129652913 643826023 /nfs/dbraw/zinc/82/60/23/643826023.db2.gz POKNGTYYOVJHSC-AAEUAGOBSA-N 1 0 377.222 2.102 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1[nH]nc2ccc(I)cc21 ZINC000130494604 643841231 /nfs/dbraw/zinc/84/12/31/643841231.db2.gz HCEUCQLBYQLEGL-JTQLQIEISA-N 1 0 384.221 2.039 20 0 GEADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)[nH]1 ZINC000131008829 643859455 /nfs/dbraw/zinc/85/94/55/643859455.db2.gz 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ZINC000134833513 643907293 /nfs/dbraw/zinc/90/72/93/643907293.db2.gz FAHCBKOIVZNGGX-UHFFFAOYSA-N 1 0 385.917 2.048 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC1 ZINC000134884916 643907832 /nfs/dbraw/zinc/90/78/32/643907832.db2.gz IHRIXDFFYBFSHC-UHFFFAOYSA-N 1 0 385.917 2.048 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000499124723 650874339 /nfs/dbraw/zinc/87/43/39/650874339.db2.gz BLWQUELFOUEHFT-CYBMUJFWSA-N 1 0 385.302 2.179 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(Cl)c1I)C1CC1 ZINC000136981469 643919981 /nfs/dbraw/zinc/91/99/81/643919981.db2.gz BUDRCBMHTHPEFI-JTQLQIEISA-N 1 0 393.656 2.410 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1Cl ZINC000151258362 643933066 /nfs/dbraw/zinc/93/30/66/643933066.db2.gz PTXWEQQHLCQRFR-LLVKDONJSA-N 1 0 376.906 2.381 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000151575721 643945484 /nfs/dbraw/zinc/94/54/84/643945484.db2.gz ILCCTXAAHZWHAN-JKSUJKDBSA-N 1 0 396.329 2.403 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000151598635 643948233 /nfs/dbraw/zinc/94/82/33/643948233.db2.gz USRMKFBGCZLDJQ-ZDUSSCGKSA-N 1 0 386.901 2.233 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000151605346 643948678 /nfs/dbraw/zinc/94/86/78/643948678.db2.gz JXPBOWLUQKXSLZ-ZDUSSCGKSA-N 1 0 386.901 2.233 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000151878439 643957795 /nfs/dbraw/zinc/95/77/95/643957795.db2.gz BZJXUBRXAXTJEI-QWRGUYRKSA-N 1 0 396.285 2.138 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC000541780367 650880649 /nfs/dbraw/zinc/88/06/49/650880649.db2.gz LFEDDLNPPZPFMV-UHFFFAOYSA-N 1 0 376.469 2.482 20 0 GEADRO Cn1c(C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1-c1ccccc1Br ZINC000152664738 643971460 /nfs/dbraw/zinc/97/14/60/643971460.db2.gz OBBYWCWGUZYCTQ-SFHVURJKSA-N 1 0 394.313 2.497 20 0 GEADRO COc1cc(C[NH2+]C[C@@](C)(O)c2cccs2)cc(Cl)c1OCC(N)=O ZINC000152988032 643976274 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2.181 20 0 GEADRO [NH3+]CC1(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCCC1 ZINC000154308089 644033444 /nfs/dbraw/zinc/03/34/44/644033444.db2.gz SJYXFTKFQSZTGI-GFCCVEGCSA-N 1 0 380.286 2.190 20 0 GEADRO [NH3+]CC1(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCCC1 ZINC000154308172 644033549 /nfs/dbraw/zinc/03/35/49/644033549.db2.gz SJYXFTKFQSZTGI-LBPRGKRZSA-N 1 0 380.286 2.190 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000154327988 644035993 /nfs/dbraw/zinc/03/59/93/644035993.db2.gz JEBDVKNLYZRSDE-CYBMUJFWSA-N 1 0 382.302 2.027 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)cc1Cl ZINC000154340984 644036494 /nfs/dbraw/zinc/03/64/94/644036494.db2.gz YLDXAFROCPDPRE-OAHLLOKOSA-N 1 0 393.292 2.154 20 0 GEADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000154467809 644044446 /nfs/dbraw/zinc/04/44/46/644044446.db2.gz GYYPTYPUUJYFCC-GFCCVEGCSA-N 1 0 395.301 2.258 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1ccc(OC)cc1I ZINC000155116552 644065411 /nfs/dbraw/zinc/06/54/11/644065411.db2.gz OHTSCYROSWNBEE-UHFFFAOYSA-N 1 0 376.238 2.371 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000156182796 644086271 /nfs/dbraw/zinc/08/62/71/644086271.db2.gz MAHMUTPFCONPAF-OLZOCXBDSA-N 1 0 385.917 2.079 20 0 GEADRO C[N@H+](CC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCSC1 ZINC000156356933 644091627 /nfs/dbraw/zinc/09/16/27/644091627.db2.gz QJNRAJQWIJKFCL-UKRRQHHQSA-N 1 0 381.929 2.389 20 0 GEADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000156398802 644094312 /nfs/dbraw/zinc/09/43/12/644094312.db2.gz ZFUCWANFDVCWGQ-CQSZACIVSA-N 1 0 382.302 2.496 20 0 GEADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000156421377 644095650 /nfs/dbraw/zinc/09/56/50/644095650.db2.gz NVGSPDUHFODNPY-AWEZNQCLSA-N 1 0 382.302 2.496 20 0 GEADRO CCC[NH+]1CCC(N2CCN(C(=O)Nc3nc(SC)ns3)CC2)CC1 ZINC000156830372 644119800 /nfs/dbraw/zinc/11/98/00/644119800.db2.gz UFTIZUFRPIHAHT-UHFFFAOYSA-N 1 0 384.575 2.284 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000156870421 644122555 /nfs/dbraw/zinc/12/25/55/644122555.db2.gz DWZMPJCSACILKG-UHFFFAOYSA-N 1 0 386.539 2.468 20 0 GEADRO CC[N@H+](CCS(C)(=O)=O)Cn1ccc(=O)c2cccc(Br)c21 ZINC000156918904 644124449 /nfs/dbraw/zinc/12/44/49/644124449.db2.gz AFSNFQXTTKSVSF-UHFFFAOYSA-N 1 0 387.299 2.088 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000157094704 644130123 /nfs/dbraw/zinc/13/01/23/644130123.db2.gz CBLSYBRGAYEYLO-WFASDCNBSA-N 1 0 378.274 2.214 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000158015258 644139354 /nfs/dbraw/zinc/13/93/54/644139354.db2.gz MFASHIAEHQOVJG-UHFFFAOYSA-N 1 0 383.290 2.019 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000158378539 644143578 /nfs/dbraw/zinc/14/35/78/644143578.db2.gz KLJOORDCOSXAAC-JQWIXIFHSA-N 1 0 398.248 2.186 20 0 GEADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158688554 644155625 /nfs/dbraw/zinc/15/56/25/644155625.db2.gz JWVPOUUGOZQROK-KRWDZBQOSA-N 1 0 375.270 2.460 20 0 GEADRO CC[C@H](Cc1ccccc1Br)C(=O)NCCCN1CC[NH2+]CC1 ZINC000158793396 644160494 /nfs/dbraw/zinc/16/04/94/644160494.db2.gz KKHPBCUYLWGSBY-OAHLLOKOSA-N 1 0 382.346 2.429 20 0 GEADRO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000158850911 644163475 /nfs/dbraw/zinc/16/34/75/644163475.db2.gz IFBHYBRWWGRZGS-HUUCEWRRSA-N 1 0 380.432 2.095 20 0 GEADRO COCC[NH+]1CCC(N[C@H](C(=O)OC)c2cccc(Br)c2)CC1 ZINC000158985393 644171391 /nfs/dbraw/zinc/17/13/91/644171391.db2.gz QGJNWBKGISGLCC-INIZCTEOSA-N 1 0 385.302 2.364 20 0 GEADRO OCCOCC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000159143114 644177656 /nfs/dbraw/zinc/17/76/56/644177656.db2.gz QKASHCYCCROXEJ-CYBMUJFWSA-N 1 0 377.222 2.103 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)nc1)C1CCCCC1 ZINC000160393328 644201117 /nfs/dbraw/zinc/20/11/17/644201117.db2.gz KDBXEDHXFHQRFB-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO CNS(=O)(=O)c1ccccc1N1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000543084324 650899363 /nfs/dbraw/zinc/89/93/63/650899363.db2.gz FMFQKMSRPSEZDV-OAHLLOKOSA-N 1 0 379.551 2.409 20 0 GEADRO COc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccs2)cc1Cl ZINC000160483959 644202734 /nfs/dbraw/zinc/20/27/34/644202734.db2.gz BXIRLNWDWNHQFK-UHFFFAOYSA-N 1 0 388.902 2.115 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1F ZINC000543104222 650899725 /nfs/dbraw/zinc/89/97/25/650899725.db2.gz YLDBEMQUNOOLSW-VXGBXAGGSA-N 1 0 377.279 2.493 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161180684 644208314 /nfs/dbraw/zinc/20/83/14/644208314.db2.gz WGVOEVWLYHQOMX-QWHCGFSZSA-N 1 0 387.933 2.370 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000162080255 644231196 /nfs/dbraw/zinc/23/11/96/644231196.db2.gz UQIYEFGGAPVKFK-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc(N(C)C)ccc1Br)[N@H+](C)C1CC1 ZINC000162084488 644231780 /nfs/dbraw/zinc/23/17/80/644231780.db2.gz GRXNOGYJXJZWEI-NSHDSACASA-N 1 0 390.347 2.276 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CCO1 ZINC000163045238 644246244 /nfs/dbraw/zinc/24/62/44/644246244.db2.gz GYSJFOJELYSLBQ-BONVTDFDSA-N 1 0 379.258 2.027 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000163091352 644247448 /nfs/dbraw/zinc/24/74/48/644247448.db2.gz KIGITVRQVHZSCF-CABZTGNLSA-N 1 0 380.798 2.130 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000163091671 644247479 /nfs/dbraw/zinc/24/74/79/644247479.db2.gz KIGITVRQVHZSCF-BXKDBHETSA-N 1 0 380.798 2.130 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000163091573 644247604 /nfs/dbraw/zinc/24/76/04/644247604.db2.gz KIGITVRQVHZSCF-JOYOIKCWSA-N 1 0 380.798 2.130 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1Br ZINC000163144984 644249946 /nfs/dbraw/zinc/24/99/46/644249946.db2.gz MXCBTKKVHSLBHC-LLVKDONJSA-N 1 0 398.301 2.183 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)CC1 ZINC000163188003 644251238 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ZINC000172934479 644347074 /nfs/dbraw/zinc/34/70/74/644347074.db2.gz JMSGGGSCROOJEF-CQSZACIVSA-N 1 0 379.302 2.410 20 0 GEADRO C[NH+]1CCC(CCNC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000172957324 644347743 /nfs/dbraw/zinc/34/77/43/644347743.db2.gz FYJGUJVTJYQBHU-UHFFFAOYSA-N 1 0 383.286 2.489 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000173508894 644359399 /nfs/dbraw/zinc/35/93/99/644359399.db2.gz WIQJUVAZSYBXCG-ZDUSSCGKSA-N 1 0 383.286 2.489 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccc(C=O)cc1Br ZINC000173683021 644360004 /nfs/dbraw/zinc/36/00/04/644360004.db2.gz NUKGCSOCFAEGHD-HNNXBMFYSA-N 1 0 383.286 2.439 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc(C=O)cc1Br ZINC000173740252 644360748 /nfs/dbraw/zinc/36/07/48/644360748.db2.gz REUMJWWDBZIYTH-DOMZBBRYSA-N 1 0 383.286 2.439 20 0 GEADRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000543619406 650915868 /nfs/dbraw/zinc/91/58/68/650915868.db2.gz FDFMWQNISAHIHS-INIZCTEOSA-N 1 0 384.274 2.463 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1ccc2ncc(I)n2c1 ZINC000175671343 644392947 /nfs/dbraw/zinc/39/29/47/644392947.db2.gz NAKFLYOCLGPXJV-UHFFFAOYSA-N 1 0 386.237 2.011 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(S(=O)(=O)CC)ccc1Cl ZINC000176919451 644406816 /nfs/dbraw/zinc/40/68/16/644406816.db2.gz WAIORLIJUBKCTI-CYBMUJFWSA-N 1 0 390.933 2.220 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccnc(Br)c1 ZINC000178740978 644438237 /nfs/dbraw/zinc/43/82/37/644438237.db2.gz RTAQGMAUSKSEJC-GJZGRUSLSA-N 1 0 382.302 2.342 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(OC)ccc1Br ZINC000178932450 644445351 /nfs/dbraw/zinc/44/53/51/644445351.db2.gz GDYBMPCBELAZID-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H](C[NH2+]C)C2)cc1Br ZINC000178941200 644446262 /nfs/dbraw/zinc/44/62/62/644446262.db2.gz OLCCODQRPZFPOM-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000178945577 644446972 /nfs/dbraw/zinc/44/69/72/644446972.db2.gz SECCWYRLXCYYLQ-SNVBAGLBSA-N 1 0 387.221 2.450 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000178962181 644447781 /nfs/dbraw/zinc/44/77/81/644447781.db2.gz VFCGOLOIAMLDNQ-DTWKUNHWSA-N 1 0 382.711 2.245 20 0 GEADRO COc1nc(NCc2ccnc(OCC[NH+](C)C)c2)ncc1Br ZINC000179350470 644455909 /nfs/dbraw/zinc/45/59/09/644455909.db2.gz GBDFHKVVVFHERU-UHFFFAOYSA-N 1 0 382.262 2.195 20 0 GEADRO O=C(COc1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179693952 644467892 /nfs/dbraw/zinc/46/78/92/644467892.db2.gz HIGPUUKJTHDYAW-AWEZNQCLSA-N 1 0 383.286 2.009 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179818836 644475476 /nfs/dbraw/zinc/47/54/76/644475476.db2.gz HOQQCOKHDBWWJO-OAHLLOKOSA-N 1 0 375.296 2.332 20 0 GEADRO COCCCOCC[N@H+](C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000179796532 644475729 /nfs/dbraw/zinc/47/57/29/644475729.db2.gz GRQLXWLQVOFIGH-UHFFFAOYSA-N 1 0 384.274 2.101 20 0 GEADRO COC(=O)COc1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000180909942 644518614 /nfs/dbraw/zinc/51/86/14/644518614.db2.gz AXZNGQIMFUXJQY-GFCCVEGCSA-N 1 0 382.258 2.376 20 0 GEADRO C[C@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccsc2S1 ZINC000181042964 644519986 /nfs/dbraw/zinc/51/99/86/644519986.db2.gz DVLTWXYRCHMANA-SQWLQELKSA-N 1 0 381.567 2.196 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)cc1 ZINC000181053913 644521707 /nfs/dbraw/zinc/52/17/07/644521707.db2.gz NJIYUZWQBNLANT-JTQLQIEISA-N 1 0 376.404 2.198 20 0 GEADRO COCCCS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000181130344 644524026 /nfs/dbraw/zinc/52/40/26/644524026.db2.gz XUWZSMIJKGBDMU-GFCCVEGCSA-N 1 0 379.320 2.056 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c(Br)n1 ZINC000181446706 644536622 /nfs/dbraw/zinc/53/66/22/644536622.db2.gz CHKUEFFDGWWKRY-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000543992108 650929920 /nfs/dbraw/zinc/92/99/20/650929920.db2.gz OTGXGEKOAUAVSI-SMDDNHRTSA-N 1 0 389.315 2.333 20 0 GEADRO O=S(=O)([C@@H]1CCC[N@@H+](CCCc2ccccc2Cl)C1)N1CCOCC1 ZINC000544120670 650934551 /nfs/dbraw/zinc/93/45/51/650934551.db2.gz VPMQWRMPYLCIOQ-QGZVFWFLSA-N 1 0 386.945 2.399 20 0 GEADRO CS[C@@H]1CN([C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)C[C@H]1[NH+](C)C ZINC000544128177 650935040 /nfs/dbraw/zinc/93/50/40/650935040.db2.gz GRBHUFFVOWVRSZ-RRFJBIMHSA-N 1 0 375.460 2.079 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545153689 650962852 /nfs/dbraw/zinc/96/28/52/650962852.db2.gz RDUAHUJYQCJRPV-BONVTDFDSA-N 1 0 391.693 2.053 20 0 GEADRO COC(=O)CNC(=O)CC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000545171970 650963831 /nfs/dbraw/zinc/96/38/31/650963831.db2.gz OZYFIVPLXIHVDG-UHFFFAOYSA-N 1 0 381.270 2.218 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)C1 ZINC000182803869 644971681 /nfs/dbraw/zinc/97/16/81/644971681.db2.gz IYKYCNTZISGTMP-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000183146870 644981444 /nfs/dbraw/zinc/98/14/44/644981444.db2.gz IOOCCOGFKHZPBZ-MRVPVSSYSA-N 1 0 383.258 2.475 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1CCCO1 ZINC000183195485 644985965 /nfs/dbraw/zinc/98/59/65/644985965.db2.gz NGWBGPZZORPABQ-IUODEOHRSA-N 1 0 387.311 2.194 20 0 GEADRO CNc1nnc(CC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)s1 ZINC000183475095 644994553 /nfs/dbraw/zinc/99/45/53/644994553.db2.gz TUFGIELYNKAZKE-UHFFFAOYSA-N 1 0 377.539 2.352 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)C2=O)ccc1Br ZINC000184991976 645030413 /nfs/dbraw/zinc/03/04/13/645030413.db2.gz RPXRUHZIGWWOLD-WFASDCNBSA-N 1 0 382.302 2.319 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NNc1ccc(Br)c(F)c1 ZINC000185168887 645038113 /nfs/dbraw/zinc/03/81/13/645038113.db2.gz LXPTXUIYPBBTGF-UHFFFAOYSA-N 1 0 377.258 2.183 20 0 GEADRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000186030913 645058050 /nfs/dbraw/zinc/05/80/50/645058050.db2.gz VGXBTVIKMCIGQG-XHDPSFHLSA-N 1 0 398.301 2.432 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cc(Cl)ccc1Cl ZINC000186184546 645063000 /nfs/dbraw/zinc/06/30/00/645063000.db2.gz DCXOSKVDRNYVCC-SNVBAGLBSA-N 1 0 377.297 2.356 20 0 GEADRO C[N@H+](CCCO)C1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000187044882 645081058 /nfs/dbraw/zinc/08/10/58/645081058.db2.gz MVZKFANBHLBCSH-QGZVFWFLSA-N 1 0 389.309 2.400 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000187928556 645101225 /nfs/dbraw/zinc/10/12/25/645101225.db2.gz LFCCJNLJPDXURC-HNNXBMFYSA-N 1 0 382.346 2.442 20 0 GEADRO O=C(NNc1cc[nH+]cc1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000188837015 645127151 /nfs/dbraw/zinc/12/71/51/645127151.db2.gz AGAKEOLDZGDLTP-UHFFFAOYSA-N 1 0 379.189 2.016 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NNc2cc[nH+]cc2)cc1Br ZINC000188837324 645127733 /nfs/dbraw/zinc/12/77/33/645127733.db2.gz PEGJWOVBQSOABK-UHFFFAOYSA-N 1 0 379.214 2.325 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000189295409 645135863 /nfs/dbraw/zinc/13/58/63/645135863.db2.gz ZVPHJXAXXKVOHD-UHFFFAOYSA-N 1 0 395.706 2.309 20 0 GEADRO CCCOc1c(Br)cc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000545859668 650982085 /nfs/dbraw/zinc/98/20/85/650982085.db2.gz ZBKDSQUUANUZME-KRWDZBQOSA-N 1 0 387.318 2.403 20 0 GEADRO CN(CN1c2ccc(Br)cc2C(=O)C1=O)CC1([NH+](C)C)CCC1 ZINC000189802305 645141167 /nfs/dbraw/zinc/14/11/67/645141167.db2.gz YKHKBFSGIFVPGV-UHFFFAOYSA-N 1 0 380.286 2.352 20 0 GEADRO COC[C@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C[C@H](C)O1 ZINC000190212951 645148517 /nfs/dbraw/zinc/14/85/17/645148517.db2.gz RZUMDCYNOFJFIP-QWHCGFSZSA-N 1 0 381.270 2.457 20 0 GEADRO C[C@H](CNc1ncnc2cc(F)c(Br)cc21)C[NH+]1CCOCC1 ZINC000545871525 650983129 /nfs/dbraw/zinc/98/31/29/650983129.db2.gz DFOXWKLEDOAKKH-LLVKDONJSA-N 1 0 383.265 2.912 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000192105580 645193691 /nfs/dbraw/zinc/19/36/91/645193691.db2.gz HWWPBOYJJKINDR-NSHDSACASA-N 1 0 390.272 2.483 20 0 GEADRO C[C@H](CNC(=O)c1cc(Br)c(F)cc1F)N1CC[NH+](C)CC1 ZINC000192106845 645194342 /nfs/dbraw/zinc/19/43/42/645194342.db2.gz WZPGHKVQLQKCQH-SNVBAGLBSA-N 1 0 376.245 2.093 20 0 GEADRO Cn1nc(Br)cc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000192236674 645198774 /nfs/dbraw/zinc/19/87/74/645198774.db2.gz VOJABZVCMZEKRT-UHFFFAOYSA-N 1 0 394.273 2.325 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(S(=O)(=O)c4ccccc4)s3)C[C@H]2C1 ZINC000192462245 645207850 /nfs/dbraw/zinc/20/78/50/645207850.db2.gz PTHQBXJCHWYIHI-OKILXGFUSA-N 1 0 376.503 2.215 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000192489182 645209461 /nfs/dbraw/zinc/20/94/61/645209461.db2.gz XOJKOOPZTZNMHR-UXLLHSPISA-N 1 0 394.313 2.036 20 0 GEADRO Cc1ccc(C[C@H](C)NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)s1 ZINC000192681083 645220918 /nfs/dbraw/zinc/22/09/18/645220918.db2.gz CGEIYCTXSCXAEO-LBPRGKRZSA-N 1 0 384.571 2.341 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000192924960 645230814 /nfs/dbraw/zinc/23/08/14/645230814.db2.gz NDGPQJJMPUSDDD-CHWSQXEVSA-N 1 0 397.317 2.267 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000192924941 645230822 /nfs/dbraw/zinc/23/08/22/645230822.db2.gz NDGPQJJMPUSDDD-STQMWFEESA-N 1 0 397.317 2.267 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000192941306 645233365 /nfs/dbraw/zinc/23/33/65/645233365.db2.gz XPPQETJBUHWKNJ-UHFFFAOYSA-N 1 0 375.922 2.004 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000193103862 645241750 /nfs/dbraw/zinc/24/17/50/645241750.db2.gz YNUBCOWKUKARNQ-LBPRGKRZSA-N 1 0 380.341 2.298 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000193104990 645241845 /nfs/dbraw/zinc/24/18/45/645241845.db2.gz JZSXWIDOLPOSMP-GFCCVEGCSA-N 1 0 380.341 2.298 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193244210 645254849 /nfs/dbraw/zinc/25/48/49/645254849.db2.gz ANYOYAZJGNTAHF-ZIAGYGMSSA-N 1 0 388.917 2.033 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000193244169 645254855 /nfs/dbraw/zinc/25/48/55/645254855.db2.gz GRIYPVCNQHKCFD-CHWSQXEVSA-N 1 0 376.906 2.032 20 0 GEADRO C[C@H]([NH3+])CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000193253279 645256549 /nfs/dbraw/zinc/25/65/49/645256549.db2.gz SKGQZYKNWIYQNF-GXTWGEPZSA-N 1 0 376.906 2.304 20 0 GEADRO NC(=O)CC[C@H]([NH3+])C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000193267452 645258335 /nfs/dbraw/zinc/25/83/35/645258335.db2.gz ZKIBUSSJTPIZJK-HNNXBMFYSA-N 1 0 388.295 2.204 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000193268859 645258424 /nfs/dbraw/zinc/25/84/24/645258424.db2.gz WAAJHAARLNUKHD-CYBMUJFWSA-N 1 0 390.933 2.374 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1Br ZINC000193282911 645261073 /nfs/dbraw/zinc/26/10/73/645261073.db2.gz KKEOYEOZIVWFIO-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193292538 645262818 /nfs/dbraw/zinc/26/28/18/645262818.db2.gz JATDVRJLKDAYST-DGCLKSJQSA-N 1 0 389.315 2.180 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000193293085 645262825 /nfs/dbraw/zinc/26/28/25/645262825.db2.gz BAUQXYHUJRXBBW-YGRLFVJLSA-N 1 0 377.304 2.254 20 0 GEADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000193293668 645263496 /nfs/dbraw/zinc/26/34/96/645263496.db2.gz PVMZKCNRJLUUBZ-SNVBAGLBSA-N 1 0 387.221 2.484 20 0 GEADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000193299664 645264086 /nfs/dbraw/zinc/26/40/86/645264086.db2.gz STGOTZPVNMHPFN-UHFFFAOYSA-N 1 0 376.906 2.367 20 0 GEADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)C1 ZINC000193336162 645267845 /nfs/dbraw/zinc/26/78/45/645267845.db2.gz DWCZWVXSYZMEHK-LLVKDONJSA-N 1 0 375.288 2.024 20 0 GEADRO COCCO[C@@H]1CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000193417701 645270847 /nfs/dbraw/zinc/27/08/47/645270847.db2.gz LLPDDBRBCCVRIX-CYBMUJFWSA-N 1 0 396.285 2.244 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000193414705 645270898 /nfs/dbraw/zinc/27/08/98/645270898.db2.gz VTSOFUHDWAVPEA-ZWNOBZJWSA-N 1 0 377.304 2.124 20 0 GEADRO Cc1nc(C)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000193437510 645273566 /nfs/dbraw/zinc/27/35/66/645273566.db2.gz IQXPMRREQKNMLZ-IUODEOHRSA-N 1 0 387.477 2.462 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000193465311 645276238 /nfs/dbraw/zinc/27/62/38/645276238.db2.gz LWHAPJSGKFXXIF-AWEZNQCLSA-N 1 0 394.313 2.429 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ncc1Br ZINC000193493929 645279045 /nfs/dbraw/zinc/27/90/45/645279045.db2.gz OHTYNKNCIOJPTI-VXGBXAGGSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1Br ZINC000193559889 645284065 /nfs/dbraw/zinc/28/40/65/645284065.db2.gz BVSWLJNMUCCVOK-CYBMUJFWSA-N 1 0 397.317 2.424 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CCc1ccc(Br)cc1 ZINC000193709004 645292089 /nfs/dbraw/zinc/29/20/89/645292089.db2.gz NVOPZAPOXSYYNF-MRXNPFEDSA-N 1 0 396.329 2.228 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2COCCO2)CC1 ZINC000546256890 650997226 /nfs/dbraw/zinc/99/72/26/650997226.db2.gz JMULLKHUKZDJMR-INIZCTEOSA-N 1 0 397.313 2.367 20 0 GEADRO C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000193724709 645294329 /nfs/dbraw/zinc/29/43/29/645294329.db2.gz KCRWVSZJGACHOT-DSIZOQBWSA-N 1 0 390.307 2.440 20 0 GEADRO CC(C)Sc1ccc(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000193760956 645296963 /nfs/dbraw/zinc/29/69/63/645296963.db2.gz NMQIMTUFYOCWNX-INIZCTEOSA-N 1 0 384.567 2.378 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000193775815 645298344 /nfs/dbraw/zinc/29/83/44/645298344.db2.gz NRUIVMPVAKAFGF-UHFFFAOYSA-N 1 0 388.331 2.041 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)ccc1Br ZINC000193802826 645300734 /nfs/dbraw/zinc/30/07/34/645300734.db2.gz DFTWNGWJNAYWLO-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1Br ZINC000194069393 645310795 /nfs/dbraw/zinc/31/07/95/645310795.db2.gz WILJFAMGCCJQLQ-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO O=C(c1cc(I)ccc1O)N1CC[NH+](CC2CC2)CC1 ZINC000194210891 645316549 /nfs/dbraw/zinc/31/65/49/645316549.db2.gz OSTRHGAEPLDXHV-UHFFFAOYSA-N 1 0 386.233 2.165 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194236380 645318389 /nfs/dbraw/zinc/31/83/89/645318389.db2.gz RVRMRUXBVMJSHE-QGZVFWFLSA-N 1 0 397.313 2.370 20 0 GEADRO C[C@@H](CNC(=O)COc1cccc(I)c1)[N@H+](C)C1CC1 ZINC000194554294 645333668 /nfs/dbraw/zinc/33/36/68/645333668.db2.gz RJVHFJRBPXGFAW-NSHDSACASA-N 1 0 388.249 2.269 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)C1 ZINC000194664454 645341421 /nfs/dbraw/zinc/34/14/21/645341421.db2.gz PYPVRYPPTBHDFE-MNOVXSKESA-N 1 0 388.331 2.229 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC[N@@H+]1CC(C)(C)O ZINC000194699640 645343449 /nfs/dbraw/zinc/34/34/49/645343449.db2.gz PBZPPTBHTRXOTR-WBMJQRKESA-N 1 0 397.313 2.056 20 0 GEADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Br)cnc1Cl)C1CCCC1 ZINC000194770279 645347583 /nfs/dbraw/zinc/34/75/83/645347583.db2.gz JGGDDECCLAXYKT-SNVBAGLBSA-N 1 0 382.711 2.293 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000195024459 645355392 /nfs/dbraw/zinc/35/53/92/645355392.db2.gz JTQQJZMEPMRVCC-LLVKDONJSA-N 1 0 391.331 2.313 20 0 GEADRO CO[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000195178102 645360538 /nfs/dbraw/zinc/36/05/38/645360538.db2.gz CTAOVNBOEILMGK-CYBMUJFWSA-N 1 0 382.448 2.434 20 0 GEADRO Cc1nn(C)c2ncc(C[NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)cc12 ZINC000195249525 645365723 /nfs/dbraw/zinc/36/57/23/645365723.db2.gz UDBZHUYSUAIDKL-UHFFFAOYSA-N 1 0 378.885 2.494 20 0 GEADRO CN(C)S(=O)(=O)c1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000195231944 645365819 /nfs/dbraw/zinc/36/58/19/645365819.db2.gz VARKAOMMTHJLGS-UHFFFAOYSA-N 1 0 385.917 2.403 20 0 GEADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195264178 645367599 /nfs/dbraw/zinc/36/75/99/645367599.db2.gz FTBCIMCKFZZGNG-GPAUDHNESA-N 1 0 385.327 2.015 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000195438936 645378280 /nfs/dbraw/zinc/37/82/80/645378280.db2.gz JGYUEMKUEZPMEH-UHFFFAOYSA-N 1 0 395.294 2.063 20 0 GEADRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(F)cc1I ZINC000235483611 645408866 /nfs/dbraw/zinc/40/88/66/645408866.db2.gz VLGAPUWJSSXIKY-LLVKDONJSA-N 1 0 378.229 2.241 20 0 GEADRO O=C(c1cc(Cl)ccc1I)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000236081975 645409566 /nfs/dbraw/zinc/40/95/66/645409566.db2.gz YNAZZLOCLUEYHG-QPUJVOFHSA-N 1 0 376.625 2.379 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000236570512 645411706 /nfs/dbraw/zinc/41/17/06/645411706.db2.gz MIMDYOGZTDCQBZ-CYBMUJFWSA-N 1 0 396.314 2.123 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236579554 645412496 /nfs/dbraw/zinc/41/24/96/645412496.db2.gz SDFVETLIIGFPMZ-KGLIPLIRSA-N 1 0 394.313 2.308 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000236577819 645412625 /nfs/dbraw/zinc/41/26/25/645412625.db2.gz PYDJJDQVXLAJNX-KGLIPLIRSA-N 1 0 394.313 2.308 20 0 GEADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236582431 645413050 /nfs/dbraw/zinc/41/30/50/645413050.db2.gz NOFHYWBTODRHQC-ZDUSSCGKSA-N 1 0 380.286 2.236 20 0 GEADRO CC(C)(C[NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000236592921 645413163 /nfs/dbraw/zinc/41/31/63/645413163.db2.gz AEDCKRDBHMMIAM-UHFFFAOYSA-N 1 0 383.290 2.006 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000236880699 645420229 /nfs/dbraw/zinc/42/02/29/645420229.db2.gz YMYXVKNHSFKKBC-ZDUSSCGKSA-N 1 0 387.933 2.372 20 0 GEADRO C[NH2+]C1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000237116593 645423227 /nfs/dbraw/zinc/42/32/27/645423227.db2.gz IGUWYXMKCFMDAK-UHFFFAOYSA-N 1 0 378.523 2.139 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000237135351 645423804 /nfs/dbraw/zinc/42/38/04/645423804.db2.gz ZWODQVKFDHOFCO-JOYOIKCWSA-N 1 0 382.555 2.195 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000237189752 645426238 /nfs/dbraw/zinc/42/62/38/645426238.db2.gz XLZWVKJALYSKBY-LLVKDONJSA-N 1 0 394.640 2.420 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000237199309 645426609 /nfs/dbraw/zinc/42/66/09/645426609.db2.gz DNWTYLVQLRLANT-SECBINFHSA-N 1 0 397.722 2.471 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000237385668 645429568 /nfs/dbraw/zinc/42/95/68/645429568.db2.gz AXEHALVHWGNLDO-GHMZBOCLSA-N 1 0 394.324 2.000 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(=O)NCC(F)(F)F ZINC000237421494 645430946 /nfs/dbraw/zinc/43/09/46/645430946.db2.gz PIAOJTIDYBDKNP-SECBINFHSA-N 1 0 396.207 2.434 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000237424238 645431233 /nfs/dbraw/zinc/43/12/33/645431233.db2.gz IPLMCVLPLNCVSV-NEPJUHHUSA-N 1 0 389.315 2.191 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000237458560 645432405 /nfs/dbraw/zinc/43/24/05/645432405.db2.gz MYPOTHMOVPQBHW-CABZTGNLSA-N 1 0 392.275 2.248 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000237465569 645432479 /nfs/dbraw/zinc/43/24/79/645432479.db2.gz NURNXNICCWTRES-FOSCPWQOSA-N 1 0 389.315 2.361 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)c1ccc(Cl)s1 ZINC000237494512 645433810 /nfs/dbraw/zinc/43/38/10/645433810.db2.gz MFTMGYZCPRCHLE-SNVBAGLBSA-N 1 0 387.914 2.381 20 0 GEADRO C[C@H](CC(=O)N(C)CC(=O)Nc1ccc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000237492500 645434037 /nfs/dbraw/zinc/43/40/37/645434037.db2.gz ZWIXXXOBGYOHQU-OLZOCXBDSA-N 1 0 397.317 2.267 20 0 GEADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000237504261 645434619 /nfs/dbraw/zinc/43/46/19/645434619.db2.gz HQMFXUUIFLWQBT-SMDDNHRTSA-N 1 0 381.523 2.058 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCCC[NH3+])ccc2Cl)C1 ZINC000237506134 645434682 /nfs/dbraw/zinc/43/46/82/645434682.db2.gz IWWPLGODXNJRSS-ZDUSSCGKSA-N 1 0 387.933 2.229 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H]1C[NH3+] ZINC000237557097 645435865 /nfs/dbraw/zinc/43/58/65/645435865.db2.gz MFLWHFPTFWNRJF-BXKDBHETSA-N 1 0 392.275 2.105 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NCCCC[NH3+])C1 ZINC000237544743 645435888 /nfs/dbraw/zinc/43/58/88/645435888.db2.gz KHCAMIVVVMQQDZ-CQSZACIVSA-N 1 0 396.329 2.465 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N[C@H]3CCC[NH2+]C3)[nH]c(=O)c2c1C ZINC000237526684 645436107 /nfs/dbraw/zinc/43/61/07/645436107.db2.gz CFPQZVWLRJLEOY-RYUDHWBXSA-N 1 0 380.539 2.091 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)COc1ccc(I)cc1 ZINC000237537365 645436172 /nfs/dbraw/zinc/43/61/72/645436172.db2.gz PJHOLCUBTDNSSU-SMDDNHRTSA-N 1 0 388.249 2.398 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000237564467 645436842 /nfs/dbraw/zinc/43/68/42/645436842.db2.gz LLCHQKBUPDUXFU-CMPLNLGQSA-N 1 0 398.248 2.281 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)c1cc(Br)ccc1I ZINC000237562565 645436930 /nfs/dbraw/zinc/43/69/30/645436930.db2.gz AWWJIXMKPJUNRT-SSDOTTSWSA-N 1 0 397.054 2.378 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000237590785 645437260 /nfs/dbraw/zinc/43/72/60/645437260.db2.gz PWLUGBMDPHAFFO-CMPLNLGQSA-N 1 0 396.310 2.445 20 0 GEADRO C[C@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000237584574 645437393 /nfs/dbraw/zinc/43/73/93/645437393.db2.gz YNVBMUVLUFLQHO-RYUDHWBXSA-N 1 0 383.290 2.170 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000237607844 645438051 /nfs/dbraw/zinc/43/80/51/645438051.db2.gz KLOVXYHHDOXNST-MQIPJXDCSA-N 1 0 382.302 2.225 20 0 GEADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000237615094 645439095 /nfs/dbraw/zinc/43/90/95/645439095.db2.gz KFXJFBMSQIZMKY-RYUDHWBXSA-N 1 0 388.295 2.074 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N3CCC([NH3+])CC3)CC2=O)ccc1Br ZINC000237789598 645441225 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Cc1cc(C(=O)NCCCN2CC[NH2+]CC2)c2ccc(Br)cc2n1 ZINC000237864198 645446435 /nfs/dbraw/zinc/44/64/35/645446435.db2.gz SGYATPSZJQGNLX-UHFFFAOYSA-N 1 0 391.313 2.331 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000237891591 645447417 /nfs/dbraw/zinc/44/74/17/645447417.db2.gz BZCBIRSKPDMPQR-GOEBONIOSA-N 1 0 394.313 2.251 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000238026233 645449493 /nfs/dbraw/zinc/44/94/93/645449493.db2.gz AFGAGNAGDPOHIM-BXKDBHETSA-N 1 0 392.275 2.153 20 0 GEADRO COC(=O)[C@H](C)C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C1CC1 ZINC000245387188 645452254 /nfs/dbraw/zinc/45/22/54/645452254.db2.gz VFQGDBVWMJDOGI-IUODEOHRSA-N 1 0 386.286 2.462 20 0 GEADRO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000245603497 645461832 /nfs/dbraw/zinc/46/18/32/645461832.db2.gz MWOSVDMIZIVICL-HUUCEWRRSA-N 1 0 378.296 2.344 20 0 GEADRO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)COC[C@H]1CCCO1 ZINC000245603500 645461940 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[NH3+][C@H](C(=O)NCc1cc(Br)ccc1OC(F)F)C1CCOCC1 ZINC000261860554 645606271 /nfs/dbraw/zinc/60/62/71/645606271.db2.gz SDXZDRWTBQHESF-ZDUSSCGKSA-N 1 0 393.228 2.421 20 0 GEADRO Cc1cc(NC(=O)CN2CC[NH2+]C[C@@H]2c2nccn2C)ccc1Br ZINC000261862512 645606423 /nfs/dbraw/zinc/60/64/23/645606423.db2.gz ZNJYQFVWOLYSPB-OAHLLOKOSA-N 1 0 392.301 2.076 20 0 GEADRO C[C@H](CSc1ccccc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261873016 645607137 /nfs/dbraw/zinc/60/71/37/645607137.db2.gz OIBUBIQFHXIRBZ-UKRRQHHQSA-N 1 0 375.460 2.367 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000261880412 645608825 /nfs/dbraw/zinc/60/88/25/645608825.db2.gz UDULHPRQTITSML-NWDGAFQWSA-N 1 0 383.290 2.156 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000261880416 645608923 /nfs/dbraw/zinc/60/89/23/645608923.db2.gz UDULHPRQTITSML-VXGBXAGGSA-N 1 0 383.290 2.156 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000261894676 645609227 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CC[NH+]1CCC(NC(=O)c2cccn3c(I)cnc23)CC1 ZINC000267459101 645904022 /nfs/dbraw/zinc/90/40/22/645904022.db2.gz KRJQFMMZFPKTBG-UHFFFAOYSA-N 1 0 398.248 2.153 20 0 GEADRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000267907717 645933903 /nfs/dbraw/zinc/93/39/03/645933903.db2.gz DZQSCECFYBYEGR-MRXNPFEDSA-N 1 0 393.267 2.096 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000267943139 645937919 /nfs/dbraw/zinc/93/79/19/645937919.db2.gz HTXQVESUSHYTRW-JKSUJKDBSA-N 1 0 386.583 2.474 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000268427099 645966524 /nfs/dbraw/zinc/96/65/24/645966524.db2.gz CITZDJLKKKSFIZ-UHFFFAOYSA-N 1 0 399.285 2.143 20 0 GEADRO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1Cl ZINC000268877345 646002534 /nfs/dbraw/zinc/00/25/34/646002534.db2.gz DUQRXJOIYXQZLP-NWDGAFQWSA-N 1 0 376.906 2.432 20 0 GEADRO COC(=O)CC1([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000269034751 646011028 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CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000269279889 646024782 /nfs/dbraw/zinc/02/47/82/646024782.db2.gz QDOAZTQFHMNZNR-OAHLLOKOSA-N 1 0 375.922 2.084 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000269281473 646024792 /nfs/dbraw/zinc/02/47/92/646024792.db2.gz QRZWFAFXMXHELW-CYBMUJFWSA-N 1 0 391.331 2.101 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000269278763 646024927 /nfs/dbraw/zinc/02/49/27/646024927.db2.gz PPZDHUKSEFNMGV-CQSZACIVSA-N 1 0 375.922 2.084 20 0 GEADRO CN(CC[NH2+]Cc1cnc2ccc(Cl)cn12)S(=O)(=O)c1cccs1 ZINC000269340268 646028340 /nfs/dbraw/zinc/02/83/40/646028340.db2.gz FXABGGWOLPJELJ-UHFFFAOYSA-N 1 0 384.914 2.460 20 0 GEADRO Cn1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc(Br)c1=O ZINC000269375160 646032310 /nfs/dbraw/zinc/03/23/10/646032310.db2.gz FBPCRUKZRRBUFV-ZDUSSCGKSA-N 1 0 383.290 2.240 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000269482222 646038459 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ZINC000332314600 647431356 /nfs/dbraw/zinc/43/13/56/647431356.db2.gz NITDAKNJOHGHRF-ZJUUUORDSA-N 1 0 386.677 2.109 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(F)ccc3Br)CC2)C1=O ZINC000332331527 647434228 /nfs/dbraw/zinc/43/42/28/647434228.db2.gz SQPFMWNTRJRDTP-HNNXBMFYSA-N 1 0 398.276 2.013 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)[C@H]1C ZINC000332420291 647436841 /nfs/dbraw/zinc/43/68/41/647436841.db2.gz BRPPYACFYFXYRN-QWRGUYRKSA-N 1 0 384.274 2.112 20 0 GEADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000332471639 647439560 /nfs/dbraw/zinc/43/95/60/647439560.db2.gz KHTWDCYTMFCMKX-XFBWCDHKSA-N 1 0 394.313 2.108 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332546054 647444208 /nfs/dbraw/zinc/44/42/08/647444208.db2.gz GJHNEOYCPMTJCD-CMPLNLGQSA-N 1 0 384.249 2.046 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(F)cc1Br ZINC000332553098 647444669 /nfs/dbraw/zinc/44/46/69/647444669.db2.gz KXZPWLBGVPPHAC-GWCFXTLKSA-N 1 0 384.249 2.046 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000332628250 647449018 /nfs/dbraw/zinc/44/90/18/647449018.db2.gz YJEFOHBJANBALT-ZDUSSCGKSA-N 1 0 396.329 2.416 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC[N@@H+]1C ZINC000332866565 647455427 /nfs/dbraw/zinc/45/54/27/647455427.db2.gz BURVEUFFJOIYEZ-KBPBESRZSA-N 1 0 385.555 2.135 20 0 GEADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N[C@H]1CC[S@@](=O)C1 ZINC000332946915 647455837 /nfs/dbraw/zinc/45/58/37/647455837.db2.gz QBMJPLJURJERLG-IVCQMTBJSA-N 1 0 383.945 2.372 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1C(F)F ZINC000333111294 647462871 /nfs/dbraw/zinc/46/28/71/647462871.db2.gz FAXFKECJYOJNIQ-ZDUSSCGKSA-N 1 0 376.473 2.019 20 0 GEADRO Cn1cc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc(Br)c1=O ZINC000333179248 647464330 /nfs/dbraw/zinc/46/43/30/647464330.db2.gz PJUXAEHQPYZDBK-AWEZNQCLSA-N 1 0 397.317 2.390 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c1C(F)F ZINC000333182023 647464845 /nfs/dbraw/zinc/46/48/45/647464845.db2.gz PYBGJCJCSTVOLO-UHFFFAOYSA-N 1 0 376.473 2.351 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000333211642 647465305 /nfs/dbraw/zinc/46/53/05/647465305.db2.gz ZUBZUCHAEHCPIG-IUODEOHRSA-N 1 0 397.317 2.405 20 0 GEADRO CC(C)(CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1Br ZINC000333602190 647475694 /nfs/dbraw/zinc/47/56/94/647475694.db2.gz PPXVQVJTCHBZQV-UHFFFAOYSA-N 1 0 382.302 2.111 20 0 GEADRO O=C(NC[C@@H]1CC[NH2+]C1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000333626761 647476529 /nfs/dbraw/zinc/47/65/29/647476529.db2.gz FXXWGAHAPKIRGZ-GFCCVEGCSA-N 1 0 385.295 2.070 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cnn1-c1ccc(Cl)cc1 ZINC000333661032 647478242 /nfs/dbraw/zinc/47/82/42/647478242.db2.gz LPCCQFZPAQPZQM-KRWDZBQOSA-N 1 0 380.901 2.351 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000333681182 647479314 /nfs/dbraw/zinc/47/93/14/647479314.db2.gz OUZZAOPDBXXEAO-HOCLYGCPSA-N 1 0 376.881 2.386 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3COc4cc(F)c(Br)cc43)C[C@H]12 ZINC000333794509 647482044 /nfs/dbraw/zinc/48/20/44/647482044.db2.gz MZNZAMWINUAIFS-ZLBRTTDGSA-N 1 0 384.249 2.400 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)n1 ZINC000333808231 647483191 /nfs/dbraw/zinc/48/31/91/647483191.db2.gz PFGMSBNOLCJLES-SWLSCSKDSA-N 1 0 384.322 2.246 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000333822714 647483729 /nfs/dbraw/zinc/48/37/29/647483729.db2.gz LCKCBAPOLMQDIO-WFASDCNBSA-N 1 0 386.265 2.423 20 0 GEADRO Cn1cc(Br)c(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)n1 ZINC000349675455 647520927 /nfs/dbraw/zinc/52/09/27/647520927.db2.gz GFYYCGKVHXEREA-UHFFFAOYSA-N 1 0 393.245 2.235 20 0 GEADRO C[N@@H+]1CC[C@H](c2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)C1 ZINC000349975561 647526281 /nfs/dbraw/zinc/52/62/81/647526281.db2.gz PLQMGSACBDXQJY-VIFPVBQESA-N 1 0 390.241 2.491 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000360455869 647557316 /nfs/dbraw/zinc/55/73/16/647557316.db2.gz UKURNIUBJQQYEL-LERXQTSPSA-N 1 0 394.324 2.261 20 0 GEADRO [NH3+]C1(C(=O)N2CCC(n3cc(Br)cn3)CC2)Cc2ccccc2C1 ZINC000361711489 647563387 /nfs/dbraw/zinc/56/33/87/647563387.db2.gz SGMJZOUOEXLQQY-UHFFFAOYSA-N 1 0 389.297 2.305 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000361783127 647564012 /nfs/dbraw/zinc/56/40/12/647564012.db2.gz UBNZOAFSXAKTBM-CABCVRRESA-N 1 0 390.908 2.230 20 0 GEADRO C[NH+](C)[C@@]1(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CCCSC1 ZINC000361788897 647564524 /nfs/dbraw/zinc/56/45/24/647564524.db2.gz NUHVANAQEMOPFO-YJBOKZPZSA-N 1 0 383.583 2.065 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000362224143 647568851 /nfs/dbraw/zinc/56/88/51/647568851.db2.gz YMKREMJFWDJWAY-CQSZACIVSA-N 1 0 380.286 2.154 20 0 GEADRO COc1ccc(Br)c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000362709215 647571869 /nfs/dbraw/zinc/57/18/69/647571869.db2.gz DBCWDMPCSJNJTG-ZDUSSCGKSA-N 1 0 396.329 2.356 20 0 GEADRO C[C@H](CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)N1CCOCC1 ZINC000362850606 647574746 /nfs/dbraw/zinc/57/47/46/647574746.db2.gz IJPAVWIDCGOEEC-CQSZACIVSA-N 1 0 385.961 2.450 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000362911899 647576104 /nfs/dbraw/zinc/57/61/04/647576104.db2.gz VRWJSTWNVBGYTH-RYUDHWBXSA-N 1 0 393.962 2.011 20 0 GEADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000363076691 647582639 /nfs/dbraw/zinc/58/26/39/647582639.db2.gz WIEIOPWDRZKGIC-HNNXBMFYSA-N 1 0 390.355 2.362 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000363426748 647596094 /nfs/dbraw/zinc/59/60/94/647596094.db2.gz HPYVVHIVPNJTCN-UONOGXRCSA-N 1 0 386.949 2.120 20 0 GEADRO COc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1OC ZINC000363727928 647607205 /nfs/dbraw/zinc/60/72/05/647607205.db2.gz OHIAGRNPMVJNKT-CABCVRRESA-N 1 0 399.329 2.497 20 0 GEADRO Cc1nn(C)c(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1Br ZINC000363992276 647616226 /nfs/dbraw/zinc/61/62/26/647616226.db2.gz FHZGLELWGHCCJD-SUMWQHHRSA-N 1 0 395.349 2.397 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000364156291 647619832 /nfs/dbraw/zinc/61/98/32/647619832.db2.gz MWPVGOMIOXYYSD-CHWSQXEVSA-N 1 0 380.286 2.060 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364581631 647637209 /nfs/dbraw/zinc/63/72/09/647637209.db2.gz QUUCOVUILOUQJP-CQSZACIVSA-N 1 0 385.555 2.185 20 0 GEADRO OC1(C[NH+]2CCOCC2)CCN(Cc2ccc(Br)s2)CC1 ZINC000364724010 647639186 /nfs/dbraw/zinc/63/91/86/647639186.db2.gz PKVPUJNHAWTNDV-UHFFFAOYSA-N 1 0 375.332 2.170 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000364785855 647642288 /nfs/dbraw/zinc/64/22/88/647642288.db2.gz MKWDKMXKLLAGSG-UMVBOHGHSA-N 1 0 392.297 2.012 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000364802412 647643359 /nfs/dbraw/zinc/64/33/59/647643359.db2.gz FSWZQJRYMMEKPM-AWEZNQCLSA-N 1 0 386.539 2.482 20 0 GEADRO C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H](C)[NH+]1CCO ZINC000364837561 647645493 /nfs/dbraw/zinc/64/54/93/647645493.db2.gz GVZLKELWLVGJEJ-XNJGSVPQSA-N 1 0 386.323 2.486 20 0 GEADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)CSc2nncs2)C1 ZINC000364944578 647650656 /nfs/dbraw/zinc/65/06/56/647650656.db2.gz GKRFJJKVGZDVML-UHFFFAOYSA-N 1 0 378.523 2.398 20 0 GEADRO COCCC[N@@H+]1CCCN(C(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000365066717 647656162 /nfs/dbraw/zinc/65/61/62/647656162.db2.gz OOADOYFAFNNDPO-UHFFFAOYSA-N 1 0 376.366 2.162 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(Br)cc3O)C2)CC1 ZINC000365269263 647665631 /nfs/dbraw/zinc/66/56/31/647665631.db2.gz FZQPQCLFSPTEAU-AWEZNQCLSA-N 1 0 396.329 2.254 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)C1 ZINC000365326823 647667062 /nfs/dbraw/zinc/66/70/62/647667062.db2.gz MHSVCHSPOSNFOD-INIZCTEOSA-N 1 0 384.293 2.440 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(F)cc3Br)CC2)C1 ZINC000365332269 647667735 /nfs/dbraw/zinc/66/77/35/647667735.db2.gz DUJKBKVWJLJLPT-CQSZACIVSA-N 1 0 384.293 2.440 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000365654455 647679611 /nfs/dbraw/zinc/67/96/11/647679611.db2.gz QMQRBCVZEUUBED-HOCLYGCPSA-N 1 0 397.313 2.432 20 0 GEADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000367051892 647716471 /nfs/dbraw/zinc/71/64/71/647716471.db2.gz FQRRWOCJSZCTTF-WBVHZDCISA-N 1 0 386.323 2.312 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000367764072 647743963 /nfs/dbraw/zinc/74/39/63/647743963.db2.gz UNFICDFMRJGDGO-IUODEOHRSA-N 1 0 380.286 2.249 20 0 GEADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1c(Cl)cc(F)cc1Br ZINC000367778820 647745462 /nfs/dbraw/zinc/74/54/62/647745462.db2.gz LWLZKSNWPZYTPN-YUMQZZPRSA-N 1 0 389.649 2.220 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000367790261 647746513 /nfs/dbraw/zinc/74/65/13/647746513.db2.gz FTXWRSLPQNRHPE-HONMWMINSA-N 1 0 394.871 2.490 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3ccccc3Br)C2)CC1 ZINC000369039195 647767602 /nfs/dbraw/zinc/76/76/02/647767602.db2.gz WNXFFXKFVXEXIL-INIZCTEOSA-N 1 0 394.357 2.478 20 0 GEADRO CN(C)c1nc(-c2ccccc2)c(C[NH+]2CCC(S(N)(=O)=O)CC2)s1 ZINC000369051563 647768268 /nfs/dbraw/zinc/76/82/68/647768268.db2.gz NYLUOWLBYYHTRB-UHFFFAOYSA-N 1 0 380.539 2.129 20 0 GEADRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)[C@]1(C)CC1(Cl)Cl ZINC000369136151 647769985 /nfs/dbraw/zinc/76/99/85/647769985.db2.gz DHNRZVMTJNMGMS-INIZCTEOSA-N 1 0 388.343 2.071 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c1Br ZINC000369185080 647771807 /nfs/dbraw/zinc/77/18/07/647771807.db2.gz TXWPQIWJWSJNIF-UHFFFAOYSA-N 1 0 384.249 2.142 20 0 GEADRO CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369403024 647777217 /nfs/dbraw/zinc/77/72/17/647777217.db2.gz ITUPLFSRBKCNDJ-DZGCQCFKSA-N 1 0 379.448 2.484 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000370203445 647782364 /nfs/dbraw/zinc/78/23/64/647782364.db2.gz HFLHEALPVYQJJG-CQSZACIVSA-N 1 0 386.901 2.264 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000370231684 647783376 /nfs/dbraw/zinc/78/33/76/647783376.db2.gz FKQNUVXVMJPPRA-IUODEOHRSA-N 1 0 386.901 2.279 20 0 GEADRO C[C@@H]1CN(C(=O)c2cncc(Br)c2)CCN1C1CC[NH+](C)CC1 ZINC000371466443 647793813 /nfs/dbraw/zinc/79/38/13/647793813.db2.gz OSPLPDJRTBNYHZ-CYBMUJFWSA-N 1 0 381.318 2.085 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000371776302 647798182 /nfs/dbraw/zinc/79/81/82/647798182.db2.gz SPIRXXIVOAGNAN-LLVKDONJSA-N 1 0 378.466 2.302 20 0 GEADRO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1)N1CCC1 ZINC000372618268 647809954 /nfs/dbraw/zinc/80/99/54/647809954.db2.gz VCZTXBGCSMMYSS-UHFFFAOYSA-N 1 0 380.286 2.332 20 0 GEADRO Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1Cl ZINC000373216276 647811956 /nfs/dbraw/zinc/81/19/56/647811956.db2.gz NAJQNYGDPIVXCE-MRXNPFEDSA-N 1 0 385.961 2.437 20 0 GEADRO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000374145489 647818640 /nfs/dbraw/zinc/81/86/40/647818640.db2.gz PYLNDZBLACIGHZ-HOCLYGCPSA-N 1 0 382.555 2.460 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000374184699 647820659 /nfs/dbraw/zinc/82/06/59/647820659.db2.gz VKRRTQVNILVMPA-TZMCWYRMSA-N 1 0 376.906 2.174 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1Cl ZINC000374185380 647820686 /nfs/dbraw/zinc/82/06/86/647820686.db2.gz XOTGHRAEDZFLHD-INIZCTEOSA-N 1 0 386.901 2.279 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000375790877 647833051 /nfs/dbraw/zinc/83/30/51/647833051.db2.gz DSIRPKAZKWCLDK-NWDGAFQWSA-N 1 0 397.273 2.123 20 0 GEADRO CCc1nc(CN2CCC[C@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)C2)no1 ZINC000375846792 647835459 /nfs/dbraw/zinc/83/54/59/647835459.db2.gz GGDQFIFBDZFNLK-JSGCOSHPSA-N 1 0 397.321 2.234 20 0 GEADRO CC(=O)OCCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000376274155 647840999 /nfs/dbraw/zinc/84/09/99/647840999.db2.gz NIZNBTKZILRQQF-WBVHZDCISA-N 1 0 388.917 2.205 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000376278231 647841459 /nfs/dbraw/zinc/84/14/59/647841459.db2.gz KOQMPRXSYALCRT-UHFFFAOYSA-N 1 0 387.933 2.307 20 0 GEADRO Brc1cnc(Br)c(N2CCN3CCOC[C@@H]3C2)c1 ZINC000376437606 647846307 /nfs/dbraw/zinc/84/63/07/647846307.db2.gz VOUPEEOIKPCVGN-JTQLQIEISA-N 1 0 377.080 2.127 20 0 GEADRO CN(C)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000377159701 647854058 /nfs/dbraw/zinc/85/40/58/647854058.db2.gz YLRKMEGYOOSFAW-UHFFFAOYSA-N 1 0 380.539 2.152 20 0 GEADRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc4c(c(Br)c3)OCO4)C2)cn1 ZINC000377728494 647866013 /nfs/dbraw/zinc/86/60/13/647866013.db2.gz WZOPSFRXHVHGKM-GFCCVEGCSA-N 1 0 379.258 2.280 20 0 GEADRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cnc4ccc(Br)cn34)C2)cn1 ZINC000377832748 647867354 /nfs/dbraw/zinc/86/73/54/647867354.db2.gz UFOPLFQGESJEJW-CYBMUJFWSA-N 1 0 375.274 2.199 20 0 GEADRO COc1nc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ncc1Br ZINC000377970959 647873774 /nfs/dbraw/zinc/87/37/74/647873774.db2.gz MPAIRGJAKMDCLK-JSGCOSHPSA-N 1 0 378.274 2.748 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000386355851 647889083 /nfs/dbraw/zinc/88/90/83/647889083.db2.gz CIGDIMZGJILWFL-UHFFFAOYSA-N 1 0 391.331 2.420 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000389877233 647892450 /nfs/dbraw/zinc/89/24/50/647892450.db2.gz VPSAMNVVWXHGQH-PWSUYJOCSA-N 1 0 377.304 2.124 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CNC(=O)C1 ZINC000398327562 647899106 /nfs/dbraw/zinc/89/91/06/647899106.db2.gz DCSNEAZNJPYAGH-QMMMGPOBSA-N 1 0 392.091 2.446 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400158440 647902239 /nfs/dbraw/zinc/90/22/39/647902239.db2.gz FIVBVLXZZXASLY-WFASDCNBSA-N 1 0 375.332 2.394 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404615820 647907977 /nfs/dbraw/zinc/90/79/77/647907977.db2.gz IHOUOTPVRXDNNA-UHFFFAOYSA-N 1 0 378.274 2.455 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNCc1cc(Cl)ccc1I ZINC000405356359 647911227 /nfs/dbraw/zinc/91/12/27/647911227.db2.gz YHLFHYACRNPUKC-CYBMUJFWSA-N 1 0 382.673 2.347 20 0 GEADRO Nc1c(Cl)ccc(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1Cl ZINC000408467494 647955911 /nfs/dbraw/zinc/95/59/11/647955911.db2.gz OHCYZXNLXWQZNF-LLVKDONJSA-N 1 0 385.295 2.002 20 0 GEADRO CCSc1nnc(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000409705201 647979222 /nfs/dbraw/zinc/97/92/22/647979222.db2.gz MICLSLFHBRXVOE-UHFFFAOYSA-N 1 0 381.527 2.912 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000409707659 647979423 /nfs/dbraw/zinc/97/94/23/647979423.db2.gz RSMHWDQGSVMRPI-UHFFFAOYSA-N 1 0 396.329 2.445 20 0 GEADRO C[N@H+](CCCNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C1CCCCC1 ZINC000410370025 648002898 /nfs/dbraw/zinc/00/28/98/648002898.db2.gz ZNEKNWRWFLWDFM-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000411019835 648020247 /nfs/dbraw/zinc/02/02/47/648020247.db2.gz FVVYBWUXJHTFSA-MRXNPFEDSA-N 1 0 396.329 2.349 20 0 GEADRO COc1cnc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000411122536 648024300 /nfs/dbraw/zinc/02/43/00/648024300.db2.gz ANZXODJZZWPARV-LLVKDONJSA-N 1 0 380.495 2.105 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000411133542 648024564 /nfs/dbraw/zinc/02/45/64/648024564.db2.gz ZNKQOKDYOPMVIK-ZDUSSCGKSA-N 1 0 377.794 2.270 20 0 GEADRO OCC[NH+](CCO)CCCOc1c(Br)cccc1Br ZINC000411223977 648027549 /nfs/dbraw/zinc/02/75/49/648027549.db2.gz KNVCHPPPNHNVAQ-UHFFFAOYSA-N 1 0 397.107 2.267 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1)C1CC1 ZINC000411238068 648028775 /nfs/dbraw/zinc/02/87/75/648028775.db2.gz BUFFVZPMHCSZGX-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411241343 648029158 /nfs/dbraw/zinc/02/91/58/648029158.db2.gz IYIAQSPPHAUSCF-STQMWFEESA-N 1 0 377.794 2.270 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000411676431 648030689 /nfs/dbraw/zinc/03/06/89/648030689.db2.gz RDWPLLFFUXGHAV-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CC1 ZINC000411962053 648039923 /nfs/dbraw/zinc/03/99/23/648039923.db2.gz AYCGPNCUSDOFDV-APPDUMDISA-N 1 0 388.917 2.475 20 0 GEADRO CC[C@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN1CC(F)F ZINC000412239429 648045715 /nfs/dbraw/zinc/04/57/15/648045715.db2.gz YXNIKNCLMHOYTA-HOTGVXAUSA-N 1 0 375.529 2.392 20 0 GEADRO CCS(=O)(=O)CCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000413202487 648063777 /nfs/dbraw/zinc/06/37/77/648063777.db2.gz MOSCWDABYZQKLN-UHFFFAOYSA-N 1 0 387.571 2.084 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)CC1 ZINC000413638953 648077024 /nfs/dbraw/zinc/07/70/24/648077024.db2.gz JORIFOOBTLNBTI-UHFFFAOYSA-N 1 0 387.933 2.371 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)[C@@H](C)c2ccc(Br)s2)CC[N@H+](C)C1 ZINC000413905283 648083838 /nfs/dbraw/zinc/08/38/38/648083838.db2.gz QKYGXEAODVDZOI-WDEREUQCSA-N 1 0 389.315 2.177 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CC[N@H+](C)C1 ZINC000413921128 648086463 /nfs/dbraw/zinc/08/64/63/648086463.db2.gz NZASXJHHNYMERU-ZDUSSCGKSA-N 1 0 395.297 2.044 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)CCOc2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413920605 648086482 /nfs/dbraw/zinc/08/64/82/648086482.db2.gz NKDPRPFFMGFQKZ-GFCCVEGCSA-N 1 0 389.279 2.326 20 0 GEADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)N(C)C ZINC000414273740 648089515 /nfs/dbraw/zinc/08/95/15/648089515.db2.gz OZNJNMQFFITSMK-ZDUSSCGKSA-N 1 0 392.363 2.162 20 0 GEADRO Cc1ccc([C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)N2CCOCC2)o1 ZINC000414283912 648089757 /nfs/dbraw/zinc/08/97/57/648089757.db2.gz PUOHMQSACJNDEE-HNNXBMFYSA-N 1 0 384.523 2.216 20 0 GEADRO COc1cccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414286012 648090369 /nfs/dbraw/zinc/09/03/69/648090369.db2.gz MOPBXXHHQPZAPH-UHFFFAOYSA-N 1 0 399.310 2.437 20 0 GEADRO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414300647 648091280 /nfs/dbraw/zinc/09/12/80/648091280.db2.gz AUUXMDVBSZNPSU-INIZCTEOSA-N 1 0 381.929 2.250 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)nn1 ZINC000414349437 648098235 /nfs/dbraw/zinc/09/82/35/648098235.db2.gz JZPAGMBLISIMAG-CYBMUJFWSA-N 1 0 396.264 2.336 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414669487 648098853 /nfs/dbraw/zinc/09/88/53/648098853.db2.gz KPFFLYPRJMBZJO-ZDUSSCGKSA-N 1 0 380.798 2.306 20 0 GEADRO O=C(NCCc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414692556 648099937 /nfs/dbraw/zinc/09/99/37/648099937.db2.gz COVRYGMIMJQYRW-UHFFFAOYSA-N 1 0 381.860 2.484 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000415410108 648102921 /nfs/dbraw/zinc/10/29/21/648102921.db2.gz FDVFRHOXCLWANY-NSHDSACASA-N 1 0 386.290 2.147 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[NH2+]1 ZINC000415415936 648103613 /nfs/dbraw/zinc/10/36/13/648103613.db2.gz MOSSCIFBHSAXAD-VIFPVBQESA-N 1 0 377.844 2.456 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415415465 648103909 /nfs/dbraw/zinc/10/39/09/648103909.db2.gz QTDWUDQNVWINQW-LLVKDONJSA-N 1 0 386.265 2.341 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415417693 648104397 /nfs/dbraw/zinc/10/43/97/648104397.db2.gz WIKOMFRALMYYAL-NSHDSACASA-N 1 0 386.265 2.341 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415468911 648105502 /nfs/dbraw/zinc/10/55/02/648105502.db2.gz WFUYNMBJGIGAGX-YPMHNXCESA-N 1 0 398.301 2.371 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415473866 648106049 /nfs/dbraw/zinc/10/60/49/648106049.db2.gz IFBWROKIEDANRD-KGLIPLIRSA-N 1 0 380.286 2.303 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415477069 648106565 /nfs/dbraw/zinc/10/65/65/648106565.db2.gz DLJOVBCAGCWZTN-JQWIXIFHSA-N 1 0 379.262 2.279 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415588729 648107291 /nfs/dbraw/zinc/10/72/91/648107291.db2.gz YCHUMXVQJFGVJN-SECBINFHSA-N 1 0 398.179 2.458 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415590177 648107433 /nfs/dbraw/zinc/10/74/33/648107433.db2.gz GNLQNALOGMQTGP-HNNXBMFYSA-N 1 0 386.677 2.253 20 0 GEADRO COc1ccc(NC(=O)N2CC[C@@H](C[NH3+])C2)c(I)c1 ZINC000415600553 648109827 /nfs/dbraw/zinc/10/98/27/648109827.db2.gz SZNVVRNFRQLVHQ-VIFPVBQESA-N 1 0 375.210 2.112 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1Br ZINC000415607493 648110352 /nfs/dbraw/zinc/11/03/52/648110352.db2.gz KHEPTKXVZGVREG-MNOVXSKESA-N 1 0 382.258 2.309 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000415808693 648112709 /nfs/dbraw/zinc/11/27/09/648112709.db2.gz OPXYJVMGODQOMT-NKWVEPMBSA-N 1 0 382.180 2.258 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F)[C@H](C)[NH3+] ZINC000415813347 648113706 /nfs/dbraw/zinc/11/37/06/648113706.db2.gz UEQJIYVMSNZYEM-NKWVEPMBSA-N 1 0 398.179 2.138 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415816649 648114459 /nfs/dbraw/zinc/11/44/59/648114459.db2.gz YCHJODHOMWDZEN-NXEZZACHSA-N 1 0 384.267 2.029 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415815509 648114557 /nfs/dbraw/zinc/11/45/57/648114557.db2.gz SHEPACVGONLQQL-QWRGUYRKSA-N 1 0 384.274 2.030 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415817086 648114570 /nfs/dbraw/zinc/11/45/70/648114570.db2.gz YKQSPVMSKGLYAK-UWVGGRQHSA-N 1 0 384.267 2.029 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)C1 ZINC000416410442 648116004 /nfs/dbraw/zinc/11/60/04/648116004.db2.gz FYOHTNDBCKIPDT-AWEZNQCLSA-N 1 0 387.933 2.113 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)[C@H](C)C1 ZINC000416411389 648116909 /nfs/dbraw/zinc/11/69/09/648116909.db2.gz ZOTIVAULPRZBMG-OCCSQVGLSA-N 1 0 388.917 2.477 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000416432115 648125992 /nfs/dbraw/zinc/12/59/92/648125992.db2.gz JIURKFZKUZRRCU-OCCSQVGLSA-N 1 0 386.901 2.231 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000416432113 648126170 /nfs/dbraw/zinc/12/61/70/648126170.db2.gz JIURKFZKUZRRCU-GXTWGEPZSA-N 1 0 386.901 2.231 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000416485176 648143863 /nfs/dbraw/zinc/14/38/63/648143863.db2.gz ZRPRBDMKALNUBU-LLVKDONJSA-N 1 0 375.922 2.015 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000416507919 648153387 /nfs/dbraw/zinc/15/33/87/648153387.db2.gz PRCVXBDAALIGEU-UHFFFAOYSA-N 1 0 387.933 2.161 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000416558431 648170928 /nfs/dbraw/zinc/17/09/28/648170928.db2.gz OXFJZDJSOPLGKV-ZDUSSCGKSA-N 1 0 388.917 2.445 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000416559881 648171607 /nfs/dbraw/zinc/17/16/07/648171607.db2.gz KYBFKCZBDCYZOT-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)N[C@H](CO)c2ccc(Br)cc2)n1 ZINC000503471420 648188082 /nfs/dbraw/zinc/18/80/82/648188082.db2.gz GWXHBWOBHHGACF-CQSZACIVSA-N 1 0 396.289 2.062 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000416640899 648198095 /nfs/dbraw/zinc/19/80/95/648198095.db2.gz QGMNYEDJACXVIQ-MRXNPFEDSA-N 1 0 376.563 2.492 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(Br)cc2C)CC[N@H+](C)C1 ZINC000416822915 648213112 /nfs/dbraw/zinc/21/31/12/648213112.db2.gz BDLLHYRNWSEEHW-LBPRGKRZSA-N 1 0 384.274 2.326 20 0 GEADRO COc1ccc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1Br ZINC000416830393 648213625 /nfs/dbraw/zinc/21/36/25/648213625.db2.gz GVVBYGAZAZFBRL-NWDGAFQWSA-N 1 0 386.290 2.377 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 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2.056 20 0 GEADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)NCCN1CC[NH2+]CC1 ZINC000417836936 648263093 /nfs/dbraw/zinc/26/30/93/648263093.db2.gz LWVGHGSTKYAFCT-UHFFFAOYSA-N 1 0 395.718 2.230 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)NCCc1nc2cc(Cl)ccc2s1 ZINC000417861892 648263532 /nfs/dbraw/zinc/26/35/32/648263532.db2.gz BBMSXLCPVCWEHV-UHFFFAOYSA-N 1 0 381.933 2.087 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417874727 648264137 /nfs/dbraw/zinc/26/41/37/648264137.db2.gz NHYKHJZCDNWNHR-WDEREUQCSA-N 1 0 379.814 2.369 20 0 GEADRO [NH3+]CCCCNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417878272 648264155 /nfs/dbraw/zinc/26/41/55/648264155.db2.gz QSVBSYPLKNTIKN-LLVKDONJSA-N 1 0 379.814 2.371 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883612 648264570 /nfs/dbraw/zinc/26/45/70/648264570.db2.gz FNHSMCWGGRABKU-NXEZZACHSA-N 1 0 382.262 2.454 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883618 648264576 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O=C(NCCOCc1ccc(Cl)cc1Cl)NC[C@@H]1C[NH2+]CCCO1 ZINC000418003814 648269035 /nfs/dbraw/zinc/26/90/35/648269035.db2.gz NALGSWPCVZWLTK-AWEZNQCLSA-N 1 0 376.284 2.188 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)F ZINC000418016033 648269814 /nfs/dbraw/zinc/26/98/14/648269814.db2.gz ZMLXVDAVLMLPDP-VXGBXAGGSA-N 1 0 395.237 2.380 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000418015139 648269870 /nfs/dbraw/zinc/26/98/70/648269870.db2.gz PMRUFWHVHQQSBZ-WFASDCNBSA-N 1 0 397.317 2.289 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCc1cc(Br)cc2c1OCC2)C(F)F ZINC000418017135 648270334 /nfs/dbraw/zinc/27/03/34/648270334.db2.gz SCPUIYGAKCQEPG-LLVKDONJSA-N 1 0 378.217 2.166 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418019505 648270953 /nfs/dbraw/zinc/27/09/53/648270953.db2.gz XKSBLWWYXYDYSO-ABAIWWIYSA-N 1 0 397.317 2.018 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]([NH3+])C(C)C)nc12 ZINC000418020276 648271292 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PMXCNHYOKXPXQQ-DUVNUKRYSA-N 1 0 394.313 2.022 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000418841732 648316720 /nfs/dbraw/zinc/31/67/20/648316720.db2.gz HOPWHCLYAFGJBX-XJKSGUPXSA-N 1 0 396.329 2.097 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC000418849419 648317484 /nfs/dbraw/zinc/31/74/84/648317484.db2.gz ASMAFCAWSIBZTH-HIFRSBDPSA-N 1 0 386.323 2.402 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418855005 648318170 /nfs/dbraw/zinc/31/81/70/648318170.db2.gz UIZFOWHAUCLDKW-ZJUUUORDSA-N 1 0 376.259 2.426 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000418858451 648318617 /nfs/dbraw/zinc/31/86/17/648318617.db2.gz WATYWDSZIYRDRT-UHFFFAOYSA-N 1 0 382.302 2.152 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000418866966 648319402 /nfs/dbraw/zinc/31/94/02/648319402.db2.gz OLVCSDODHCIGFP-MBNYWOFBSA-N 1 0 382.302 2.131 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418867569 648319438 /nfs/dbraw/zinc/31/94/38/648319438.db2.gz UWBNEYSDZJUUKR-NXEZZACHSA-N 1 0 376.259 2.378 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000418866965 648319447 /nfs/dbraw/zinc/31/94/47/648319447.db2.gz OLVCSDODHCIGFP-DYEKYZERSA-N 1 0 382.302 2.131 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000418872621 648320282 /nfs/dbraw/zinc/32/02/82/648320282.db2.gz WYSUBZAMVKUWRG-DOMZBBRYSA-N 1 0 382.302 2.227 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418933623 648322536 /nfs/dbraw/zinc/32/25/36/648322536.db2.gz BFIAHJFCVXUUQH-AWEZNQCLSA-N 1 0 382.302 2.186 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000418938463 648322937 /nfs/dbraw/zinc/32/29/37/648322937.db2.gz GKGSJYRFGZGBLQ-NORZTCDRSA-N 1 0 394.313 2.057 20 0 GEADRO CN(C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21)[C@H]1CCC[NH2+]CC1 ZINC000418940859 648323335 /nfs/dbraw/zinc/32/33/35/648323335.db2.gz JMQMNPSVHSJICR-HOCLYGCPSA-N 1 0 394.313 2.153 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418946106 648323757 /nfs/dbraw/zinc/32/37/57/648323757.db2.gz QZFYLDXYWXDYSO-KNXALSJPSA-N 1 0 394.313 2.281 20 0 GEADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418946343 648323795 /nfs/dbraw/zinc/32/37/95/648323795.db2.gz OJHGSAXFGJQBAJ-BLLLJJGKSA-N 1 0 394.313 2.132 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21)C1CCCC1 ZINC000418949067 648324503 /nfs/dbraw/zinc/32/45/03/648324503.db2.gz USNVAXBOYLDDQV-HZPDHXFCSA-N 1 0 394.313 2.186 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418951709 648324893 /nfs/dbraw/zinc/32/48/93/648324893.db2.gz UVVUKUNNURXINL-NHYWBVRUSA-N 1 0 382.302 2.260 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000418960237 648325636 /nfs/dbraw/zinc/32/56/36/648325636.db2.gz CFACHRXCJDMVPV-SNVBAGLBSA-N 1 0 380.901 2.285 20 0 GEADRO Cc1sc([C@H](C)NC(=O)C(=O)NCCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000418978028 648326429 /nfs/dbraw/zinc/32/64/29/648326429.db2.gz WRWIXWAFIMVCJU-JTQLQIEISA-N 1 0 380.901 2.414 20 0 GEADRO Cc1sc([C@@H](C)NC(=O)C(=O)N(C)CC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000418975586 648326525 /nfs/dbraw/zinc/32/65/25/648326525.db2.gz SZQXVMLSUBAFQD-SNVBAGLBSA-N 1 0 380.901 2.366 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419015321 648327331 /nfs/dbraw/zinc/32/73/31/648327331.db2.gz BNGUUCWOLSEHAR-ZFWWWQNUSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419021412 648327971 /nfs/dbraw/zinc/32/79/71/648327971.db2.gz MBQRAOYVCYGELF-UGSOOPFHSA-N 1 0 396.329 2.084 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419049154 648330161 /nfs/dbraw/zinc/33/01/61/648330161.db2.gz BCWQVIAVQQBGOT-XPKDYRNWSA-N 1 0 396.329 2.082 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000419050909 648330515 /nfs/dbraw/zinc/33/05/15/648330515.db2.gz DVFFPHPSVWHQGC-GXTWGEPZSA-N 1 0 384.318 2.130 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419055194 648331024 /nfs/dbraw/zinc/33/10/24/648331024.db2.gz NPUGIHLRHDPVQW-HNNXBMFYSA-N 1 0 396.329 2.084 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419058171 648331472 /nfs/dbraw/zinc/33/14/72/648331472.db2.gz VVQKJOJDAJLOGL-SHARSMKWSA-N 1 0 396.329 2.273 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419094940 648333421 /nfs/dbraw/zinc/33/34/21/648333421.db2.gz KDPZMBKSXONBDK-UEKVPHQBSA-N 1 0 382.291 2.165 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419097964 648333692 /nfs/dbraw/zinc/33/36/92/648333692.db2.gz QRIZXVVTRVZCIC-LLVKDONJSA-N 1 0 392.352 2.457 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419095049 648333736 /nfs/dbraw/zinc/33/37/36/648333736.db2.gz CBADTKBLXHQSPE-ZWNOBZJWSA-N 1 0 380.901 2.294 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C[C@H]1C[NH3+] ZINC000419106795 648334655 /nfs/dbraw/zinc/33/46/55/648334655.db2.gz OXSHPDJLZNSOGU-GHMZBOCLSA-N 1 0 380.901 2.009 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419125968 648335616 /nfs/dbraw/zinc/33/56/16/648335616.db2.gz LTMVTXNYRQRENL-WBMJQRKESA-N 1 0 377.897 2.427 20 0 GEADRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419130329 648335796 /nfs/dbraw/zinc/33/57/96/648335796.db2.gz ZUVDGLRHTFQQON-CVEARBPZSA-N 1 0 377.897 2.475 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419134304 648336680 /nfs/dbraw/zinc/33/66/80/648336680.db2.gz JTWRSZOXTFCPHI-RYUDHWBXSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419142538 648337192 /nfs/dbraw/zinc/33/71/92/648337192.db2.gz YGYWAWBWXWDYSH-RYUDHWBXSA-N 1 0 388.295 2.074 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2Br)CCCCCC1 ZINC000419153018 648337600 /nfs/dbraw/zinc/33/76/00/648337600.db2.gz VISJSOPRJYNXIC-UHFFFAOYSA-N 1 0 382.302 2.233 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1Br ZINC000419169397 648338686 /nfs/dbraw/zinc/33/86/86/648338686.db2.gz UQTUKEXHQIQEMS-AWEZNQCLSA-N 1 0 384.318 2.206 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419163839 648338733 /nfs/dbraw/zinc/33/87/33/648338733.db2.gz KQRICYVSWGAFOQ-AWEZNQCLSA-N 1 0 390.311 2.116 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1Br ZINC000419168353 648338848 /nfs/dbraw/zinc/33/88/48/648338848.db2.gz RRQONKORKFJHQZ-OAHLLOKOSA-N 1 0 396.329 2.398 20 0 GEADRO O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419171907 648339395 /nfs/dbraw/zinc/33/93/95/648339395.db2.gz JJBSIMJULUPUBA-LBPRGKRZSA-N 1 0 384.307 2.400 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419185968 648340249 /nfs/dbraw/zinc/34/02/49/648340249.db2.gz HTTCMJRLNSXJTK-HNNXBMFYSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419189776 648340501 /nfs/dbraw/zinc/34/05/01/648340501.db2.gz HXWPIBWVJORBFL-CYBMUJFWSA-N 1 0 396.329 2.231 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419189777 648340636 /nfs/dbraw/zinc/34/06/36/648340636.db2.gz HXWPIBWVJORBFL-ZDUSSCGKSA-N 1 0 396.329 2.231 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)C[C@H](C)[NH2+]1 ZINC000419195652 648341176 /nfs/dbraw/zinc/34/11/76/648341176.db2.gz YKMVFEBROFBHRS-BETUJISGSA-N 1 0 396.329 2.052 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCc1ccccc1Br ZINC000419211851 648341728 /nfs/dbraw/zinc/34/17/28/648341728.db2.gz YGTUIGCLOGKORU-OAHLLOKOSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419282001 648344477 /nfs/dbraw/zinc/34/44/77/648344477.db2.gz LMRGJFBGKFPBAT-TUKIKUTGSA-N 1 0 384.307 2.394 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419304618 648346602 /nfs/dbraw/zinc/34/66/02/648346602.db2.gz UWUUQTSJBXNJRC-BBRMVZONSA-N 1 0 396.329 2.316 20 0 GEADRO C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000419344568 648348946 /nfs/dbraw/zinc/34/89/46/648348946.db2.gz SBLJCBZRZJSLDL-UONOGXRCSA-N 1 0 384.318 2.165 20 0 GEADRO CC[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000419361313 648349830 /nfs/dbraw/zinc/34/98/30/648349830.db2.gz MQTXZMBNUTVNPB-XJKSGUPXSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000419361042 648349922 /nfs/dbraw/zinc/34/99/22/648349922.db2.gz ARATYCKPRHPPFV-ZDUSSCGKSA-N 1 0 396.329 2.231 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419369922 648350472 /nfs/dbraw/zinc/35/04/72/648350472.db2.gz GJKVOOBIHNAOTQ-UHFFFAOYSA-N 1 0 396.329 2.055 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419413496 648351403 /nfs/dbraw/zinc/35/14/03/648351403.db2.gz FTYNKZWYKWRADS-KFWWJZLASA-N 1 0 398.345 2.477 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCc1ccc(Br)s1 ZINC000419418859 648351548 /nfs/dbraw/zinc/35/15/48/648351548.db2.gz YQYVQGHKPSCCOR-VXGBXAGGSA-N 1 0 390.347 2.150 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Br)cs2)[C@@H](C)C[N@@H+]1CCO ZINC000419425059 648352186 /nfs/dbraw/zinc/35/21/86/648352186.db2.gz DOXBLPWMSAGSKP-MNOVXSKESA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1cc(Br)ccc1F ZINC000419434217 648352962 /nfs/dbraw/zinc/35/29/62/648352962.db2.gz KLFHGLXUQSXEMN-VXGBXAGGSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCc1ccc(Br)cc1 ZINC000419451374 648353313 /nfs/dbraw/zinc/35/33/13/648353313.db2.gz NIDAYYOWKXGSFN-UONOGXRCSA-N 1 0 384.318 2.088 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccc(Br)c(F)c2)[C@@H](C)C[N@@H+]1CCO ZINC000419451831 648353351 /nfs/dbraw/zinc/35/33/51/648353351.db2.gz VPJIACVGJLDJST-NEPJUHHUSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCc1ccc(Br)cc1 ZINC000419451372 648353539 /nfs/dbraw/zinc/35/35/39/648353539.db2.gz NIDAYYOWKXGSFN-KBPBESRZSA-N 1 0 384.318 2.088 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419477619 648353871 /nfs/dbraw/zinc/35/38/71/648353871.db2.gz RROLAYGEYIARFW-RBSFLKMASA-N 1 0 398.345 2.477 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419492462 648354346 /nfs/dbraw/zinc/35/43/46/648354346.db2.gz LKXZVIOERYCJFU-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)[C@H](C)C[NH2+]1 ZINC000419508599 648355062 /nfs/dbraw/zinc/35/50/62/648355062.db2.gz CZDOJDXNKKJSMP-CHWSQXEVSA-N 1 0 396.329 2.052 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419584258 648356706 /nfs/dbraw/zinc/35/67/06/648356706.db2.gz IQHKZVWZIYGEIT-MLGOLLRUSA-N 1 0 394.313 2.059 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419585921 648357129 /nfs/dbraw/zinc/35/71/29/648357129.db2.gz KYBGXDKRACMFBJ-XHDPSFHLSA-N 1 0 382.302 2.042 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br)C1CCCC1 ZINC000419588833 648357477 /nfs/dbraw/zinc/35/74/77/648357477.db2.gz PGCAAUXUUQOUAV-HZPDHXFCSA-N 1 0 394.313 2.186 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000419588234 648357491 /nfs/dbraw/zinc/35/74/91/648357491.db2.gz OMWVJMKYPRQUOM-MLGOLLRUSA-N 1 0 394.313 2.140 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000419629507 648358468 /nfs/dbraw/zinc/35/84/68/648358468.db2.gz LGPZKLLZJZNXCW-ISVAXAHUSA-N 1 0 377.794 2.390 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1Br ZINC000419679429 648363509 /nfs/dbraw/zinc/36/35/09/648363509.db2.gz FSENUMXBUCMHLN-OCCSQVGLSA-N 1 0 389.315 2.144 20 0 GEADRO C[C@@]1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO[C@@H]1C1CC1 ZINC000419683392 648364490 /nfs/dbraw/zinc/36/44/90/648364490.db2.gz KPRDJWQOUOJRKJ-HUUCEWRRSA-N 1 0 389.315 2.144 20 0 GEADRO CCOC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000419690456 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2.274 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000419719196 648371333 /nfs/dbraw/zinc/37/13/33/648371333.db2.gz XCFIRZRBBLIACV-UWVGGRQHSA-N 1 0 388.331 2.274 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000419735196 648372930 /nfs/dbraw/zinc/37/29/30/648372930.db2.gz VSFFWJXTKWPVDG-CHWSQXEVSA-N 1 0 388.295 2.375 20 0 GEADRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419751099 648374989 /nfs/dbraw/zinc/37/49/89/648374989.db2.gz TZYGPGCKFKYRFX-HNNXBMFYSA-N 1 0 391.331 2.127 20 0 GEADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419764043 648376343 /nfs/dbraw/zinc/37/63/43/648376343.db2.gz PWANIMGSFKYWFE-SNVBAGLBSA-N 1 0 380.901 2.366 20 0 GEADRO CC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1cc(F)cc(Br)c1 ZINC000419770580 648376735 /nfs/dbraw/zinc/37/67/35/648376735.db2.gz DSDFEMBNWAGRTR-KBPBESRZSA-N 1 0 386.265 2.024 20 0 GEADRO CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000419772699 648377317 /nfs/dbraw/zinc/37/73/17/648377317.db2.gz GYYOFBYUDZXVLR-KBPBESRZSA-N 1 0 386.265 2.009 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NCC1=CC[NH2+]CC1)c1cc(F)cc(Br)c1 ZINC000419781667 648378312 /nfs/dbraw/zinc/37/83/12/648378312.db2.gz QKNJNSUEVMWCGW-OAHLLOKOSA-N 1 0 398.276 2.191 20 0 GEADRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C12CCC2 ZINC000419794375 648379223 /nfs/dbraw/zinc/37/92/23/648379223.db2.gz KYZJPPLXUKVPKP-ZIAGYGMSSA-N 1 0 389.315 2.144 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000419801120 648379627 /nfs/dbraw/zinc/37/96/27/648379627.db2.gz APMHQUDIXJDUNU-WFASDCNBSA-N 1 0 396.329 2.039 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3cc(Br)ccc3C2)CCCCC1 ZINC000419805085 648380092 /nfs/dbraw/zinc/38/00/92/648380092.db2.gz PMIDWSNEOLDSNC-UHFFFAOYSA-N 1 0 394.313 2.112 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000419806933 648380424 /nfs/dbraw/zinc/38/04/24/648380424.db2.gz FIEVGUJKUQBJCQ-IUODEOHRSA-N 1 0 396.329 2.087 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000419811890 648381038 /nfs/dbraw/zinc/38/10/38/648381038.db2.gz IVHWXZJKSAIBQG-UHFFFAOYSA-N 1 0 392.656 2.391 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419818137 648381766 /nfs/dbraw/zinc/38/17/66/648381766.db2.gz LEKCJDWRKXBKRM-UGSOOPFHSA-N 1 0 396.329 2.002 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 ZINC000419824562 648382602 /nfs/dbraw/zinc/38/26/02/648382602.db2.gz QKNSNOBFBCGRIK-UHFFFAOYSA-N 1 0 375.803 2.133 20 0 GEADRO [NH3+]CCNC(=O)C(=O)N(CC1(c2ccc(Cl)c(Cl)c2)CCC1)C1CC1 ZINC000419827133 648383106 /nfs/dbraw/zinc/38/31/06/648383106.db2.gz BBCKMZBJYXUOPQ-UHFFFAOYSA-N 1 0 384.307 2.481 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC000419863231 648386220 /nfs/dbraw/zinc/38/62/20/648386220.db2.gz NRNFGLICTMRJKM-LSDHHAIUSA-N 1 0 398.276 2.105 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419867991 648386444 /nfs/dbraw/zinc/38/64/44/648386444.db2.gz VHZBWECKGNGRDU-XJKSGUPXSA-N 1 0 394.313 2.228 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000419893776 648386800 /nfs/dbraw/zinc/38/68/00/648386800.db2.gz QBJIXIWVFUIFPW-QWRGUYRKSA-N 1 0 386.315 2.042 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000419906385 648387254 /nfs/dbraw/zinc/38/72/54/648387254.db2.gz ZYRAQDNHCKVUOG-OAGGEKHMSA-N 1 0 394.313 2.499 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419898256 648387314 /nfs/dbraw/zinc/38/73/14/648387314.db2.gz WPRCWGQHLQWMBR-INIZCTEOSA-N 1 0 394.313 2.023 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1)[C@H]1CCC[NH2+]C1 ZINC000419900169 648387415 /nfs/dbraw/zinc/38/74/15/648387415.db2.gz SGLZNGKRHURPET-NEPJUHHUSA-N 1 0 384.307 2.382 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1)[C@H]1CCC[NH2+]C1 ZINC000419908545 648387731 /nfs/dbraw/zinc/38/77/31/648387731.db2.gz YPEDLBPIZSMMOS-AAEUAGOBSA-N 1 0 384.307 2.382 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419938599 648390265 /nfs/dbraw/zinc/39/02/65/648390265.db2.gz XHIDJVRRSQTSHV-OAHLLOKOSA-N 1 0 382.302 2.228 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419940054 648390326 /nfs/dbraw/zinc/39/03/26/648390326.db2.gz KADHGQNPZCZSHU-ZDUSSCGKSA-N 1 0 384.318 2.145 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000419943495 648390777 /nfs/dbraw/zinc/39/07/77/648390777.db2.gz HKLOFNMIAMMYMM-ZDUSSCGKSA-N 1 0 384.318 2.158 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419946880 648390799 /nfs/dbraw/zinc/39/07/99/648390799.db2.gz VSXVOKLDAYEEAX-WCQYABFASA-N 1 0 388.295 2.074 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419956172 648391184 /nfs/dbraw/zinc/39/11/84/648391184.db2.gz ABPZZXDCAFOQFV-CYBMUJFWSA-N 1 0 386.290 2.024 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419964427 648391608 /nfs/dbraw/zinc/39/16/08/648391608.db2.gz WCGRFBRKHXHGMW-OAHLLOKOSA-N 1 0 396.329 2.430 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000419978493 648392434 /nfs/dbraw/zinc/39/24/34/648392434.db2.gz ODBLFYRTOJDCIW-WDEREUQCSA-N 1 0 388.331 2.146 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000419979116 648392440 /nfs/dbraw/zinc/39/24/40/648392440.db2.gz PJZFSUAZZYHTOH-ZDUSSCGKSA-N 1 0 390.709 2.160 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000419999311 648394439 /nfs/dbraw/zinc/39/44/39/648394439.db2.gz OIQKUORWBQJSNB-NZSAHSFTSA-N 1 0 395.341 2.472 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420008801 648395517 /nfs/dbraw/zinc/39/55/17/648395517.db2.gz CAZKGMBBDBKINF-JQWIXIFHSA-N 1 0 388.331 2.103 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000420010199 648395539 /nfs/dbraw/zinc/39/55/39/648395539.db2.gz GLWOBIYWZZATHY-INIZCTEOSA-N 1 0 394.313 2.164 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000420014936 648395908 /nfs/dbraw/zinc/39/59/08/648395908.db2.gz LGGBWHOIRIPSGG-KRWDZBQOSA-N 1 0 383.286 2.044 20 0 GEADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000420051895 648398238 /nfs/dbraw/zinc/39/82/38/648398238.db2.gz FHORZTSCNUWQRR-IINYFYTJSA-N 1 0 388.295 2.181 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1)C1CC1 ZINC000420067055 648399205 /nfs/dbraw/zinc/39/92/05/648399205.db2.gz RUTHZYZTKARLEB-QWRGUYRKSA-N 1 0 386.315 2.028 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420065500 648399338 /nfs/dbraw/zinc/39/93/38/648399338.db2.gz VRCLJSJYYWVDCY-GFCCVEGCSA-N 1 0 388.331 2.103 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420069891 648399581 /nfs/dbraw/zinc/39/95/81/648399581.db2.gz WDBDRGUAHCNDLI-OAHLLOKOSA-N 1 0 382.302 2.040 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420071580 648399690 /nfs/dbraw/zinc/39/96/90/648399690.db2.gz WUMYSSZVRCAOSS-HOCLYGCPSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC[NH2+]1 ZINC000420098544 648401682 /nfs/dbraw/zinc/40/16/82/648401682.db2.gz ASSHVDBXFMTDSF-IUODEOHRSA-N 1 0 394.313 2.197 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420102445 648401985 /nfs/dbraw/zinc/40/19/85/648401985.db2.gz NRVPRZLNACLHMJ-TYNCELHUSA-N 1 0 382.302 2.083 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000420111414 648402412 /nfs/dbraw/zinc/40/24/12/648402412.db2.gz CQPFBGVUHMHJBB-UHOFOFEASA-N 1 0 394.313 2.369 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420126242 648403892 /nfs/dbraw/zinc/40/38/92/648403892.db2.gz UBPVNKISKDZBRE-XJKSGUPXSA-N 1 0 396.329 2.300 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000420136241 648404917 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CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420197234 648408830 /nfs/dbraw/zinc/40/88/30/648408830.db2.gz LMDCDJXNHDMXKP-JSGCOSHPSA-N 1 0 382.302 2.041 20 0 GEADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420217692 648409792 /nfs/dbraw/zinc/40/97/92/648409792.db2.gz MZBVEEYPXGLVJU-DGCLKSJQSA-N 1 0 388.295 2.008 20 0 GEADRO FC(F)(F)c1ccc(I)c(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420247485 648411225 /nfs/dbraw/zinc/41/12/25/648411225.db2.gz OLQXTWLAODOXIB-OCAPTIKFSA-N 1 0 383.155 2.361 20 0 GEADRO C[C@]1(F)C[NH2+]CCN(c2ncnc3cccc(I)c32)C1 ZINC000420256481 648411728 /nfs/dbraw/zinc/41/17/28/648411728.db2.gz CUHOOXLBYSAYOX-AWEZNQCLSA-N 1 0 386.212 2.372 20 0 GEADRO Ic1cccc2ncnc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c12 ZINC000420267903 648412378 /nfs/dbraw/zinc/41/23/78/648412378.db2.gz XBTYZBCKRIBWAK-QWRGUYRKSA-N 1 0 380.233 2.280 20 0 GEADRO Brc1cc2c(cc1CN1CC[C@H](N3CC[NH2+]CC3)C1)OCCCO2 ZINC000420347938 648413421 /nfs/dbraw/zinc/41/34/21/648413421.db2.gz 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C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000423138240 648584319 /nfs/dbraw/zinc/58/43/19/648584319.db2.gz SNEKEUJUEFWJQF-WDEREUQCSA-N 1 0 388.331 2.055 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000423139695 648584547 /nfs/dbraw/zinc/58/45/47/648584547.db2.gz WILDQGSFEZSMRI-OAHLLOKOSA-N 1 0 384.267 2.147 20 0 GEADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423153502 648585009 /nfs/dbraw/zinc/58/50/09/648585009.db2.gz HLSUVNQWUUQHEU-BPLDGKMQSA-N 1 0 389.309 2.096 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])s1 ZINC000423158449 648585441 /nfs/dbraw/zinc/58/54/41/648585441.db2.gz WVZYANDJHCAKHK-XJKSGUPXSA-N 1 0 389.587 2.057 20 0 GEADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423164667 648585733 /nfs/dbraw/zinc/58/57/33/648585733.db2.gz OSBFIIDTWJAIQX-OKILXGFUSA-N 1 0 384.307 2.408 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423166493 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2.302 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000423458703 648591095 /nfs/dbraw/zinc/59/10/95/648591095.db2.gz QSPINCQFTIHGME-UHFFFAOYSA-N 1 0 388.331 2.070 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423449623 648591279 /nfs/dbraw/zinc/59/12/79/648591279.db2.gz CQEIOSORAVWLGS-GOSISDBHSA-N 1 0 394.313 2.070 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423458267 648591293 /nfs/dbraw/zinc/59/12/93/648591293.db2.gz PQOBBXJFOZLMLC-UKRRQHHQSA-N 1 0 396.329 2.302 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000423481201 648592144 /nfs/dbraw/zinc/59/21/44/648592144.db2.gz QAIRIAPYOFPBCB-ZDUSSCGKSA-N 1 0 381.929 2.230 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)C1 ZINC000423488640 648592601 /nfs/dbraw/zinc/59/26/01/648592601.db2.gz WIXBFVWAVIZXPK-XQQFMLRXSA-N 1 0 394.313 2.091 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000423488631 648592724 /nfs/dbraw/zinc/59/27/24/648592724.db2.gz WHZCJSIOTOZEQQ-XJKSGUPXSA-N 1 0 375.485 2.365 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423484028 648592736 /nfs/dbraw/zinc/59/27/36/648592736.db2.gz YEDXDDLUECLWFI-NEPJUHHUSA-N 1 0 388.295 2.039 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423484031 648592764 /nfs/dbraw/zinc/59/27/64/648592764.db2.gz YEDXDDLUECLWFI-VXGBXAGGSA-N 1 0 388.295 2.039 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)CC[NH2+]1 ZINC000423507007 648593555 /nfs/dbraw/zinc/59/35/55/648593555.db2.gz JICYACJNXDCTKN-ZDUSSCGKSA-N 1 0 394.313 2.008 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)C1 ZINC000423513521 648593747 /nfs/dbraw/zinc/59/37/47/648593747.db2.gz CEJZATCOGFBUAM-HOCLYGCPSA-N 1 0 394.313 2.241 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000423562369 648595494 /nfs/dbraw/zinc/59/54/94/648595494.db2.gz GWHUZMQJRNDGPD-GFCCVEGCSA-N 1 0 382.291 2.416 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423571712 648596053 /nfs/dbraw/zinc/59/60/53/648596053.db2.gz WLUXJYAUHRWJEV-MCIONIFRSA-N 1 0 396.329 2.412 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000423617322 648597469 /nfs/dbraw/zinc/59/74/69/648597469.db2.gz SXCWQQZIMPAMPV-OAHLLOKOSA-N 1 0 383.945 2.476 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423663714 648599021 /nfs/dbraw/zinc/59/90/21/648599021.db2.gz DJYPNBDBHTUHTL-CZUORRHYSA-N 1 0 396.329 2.178 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000423662081 648599032 /nfs/dbraw/zinc/59/90/32/648599032.db2.gz BHWCEWWPZIMAPP-JQWIXIFHSA-N 1 0 388.331 2.197 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423709140 648600413 /nfs/dbraw/zinc/60/04/13/648600413.db2.gz VUSDOCPRITYGPS-WCQYABFASA-N 1 0 388.295 2.169 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CC[C@H]1[NH3+] ZINC000423726141 648600957 /nfs/dbraw/zinc/60/09/57/648600957.db2.gz IETKHLZONDJTTJ-DAXOMENPSA-N 1 0 381.929 2.229 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C(F)(F)F ZINC000423722290 648600960 /nfs/dbraw/zinc/60/09/60/648600960.db2.gz FOYVDOAMJQLSKO-GFCCVEGCSA-N 1 0 397.191 2.159 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)[C@H]1C[NH3+] ZINC000423742256 648601389 /nfs/dbraw/zinc/60/13/89/648601389.db2.gz UJFJKCWJGOCOBJ-PWSUYJOCSA-N 1 0 388.331 2.055 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C1 ZINC000423746907 648601396 /nfs/dbraw/zinc/60/13/96/648601396.db2.gz YFMRBIXWBWMHDZ-DZGCQCFKSA-N 1 0 396.329 2.036 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)[C@H]1C[NH3+] ZINC000423739137 648601426 /nfs/dbraw/zinc/60/14/26/648601426.db2.gz RBIARDHKSDKLIT-MFKMUULPSA-N 1 0 388.331 2.055 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCOc2ccc(I)cc2)C1 ZINC000423837246 648602439 /nfs/dbraw/zinc/60/24/39/648602439.db2.gz AXPURVBZSAMQFW-RISCZKNCSA-N 1 0 388.249 2.174 20 0 GEADRO COc1cc(NC(=O)c2cn(CCCC[NH3+])nn2)cc(OC)c1Br ZINC000423826848 648602481 /nfs/dbraw/zinc/60/24/81/648602481.db2.gz PCYXZOAMQSPICB-UHFFFAOYSA-N 1 0 398.261 2.049 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)c1cn(CCCC[NH3+])nn1)CC2 ZINC000423894212 648603106 /nfs/dbraw/zinc/60/31/06/648603106.db2.gz LTWQSDWAUNLLGG-UHFFFAOYSA-N 1 0 392.301 2.286 20 0 GEADRO [NH3+]C[C@H](NC(=O)COc1ccc(I)cc1)C1CCCC1 ZINC000423936223 648603583 /nfs/dbraw/zinc/60/35/83/648603583.db2.gz CPQACBFTFIVGNY-AWEZNQCLSA-N 1 0 388.249 2.304 20 0 GEADRO O=C(Cc1ccccc1Br)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423950585 648604534 /nfs/dbraw/zinc/60/45/34/648604534.db2.gz ODEKNDZVIBZTRN-UHFFFAOYSA-N 1 0 380.330 2.324 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000423953373 648605085 /nfs/dbraw/zinc/60/50/85/648605085.db2.gz LUDTYJADLHWHJB-KBPBESRZSA-N 1 0 382.302 2.292 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423960080 648605723 /nfs/dbraw/zinc/60/57/23/648605723.db2.gz RXGFBGGHIZVIDH-WCBMZHEXSA-N 1 0 376.320 2.119 20 0 GEADRO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(=O)c1ccc(Br)o1 ZINC000423966143 648606461 /nfs/dbraw/zinc/60/64/61/648606461.db2.gz GFYJRUJGHAGFLU-CHWSQXEVSA-N 1 0 398.301 2.105 20 0 GEADRO C[C@@H]1CN(C(=O)COc2ccc(I)cc2)C[C@@]1(C)C[NH3+] ZINC000423980704 648606894 /nfs/dbraw/zinc/60/68/94/648606894.db2.gz FJPMIGMAKRGGAH-IAQYHMDHSA-N 1 0 388.249 2.113 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000423995369 648608015 /nfs/dbraw/zinc/60/80/15/648608015.db2.gz DPYOZBVKEMHYAA-RDJZCZTQSA-N 1 0 395.297 2.377 20 0 GEADRO Cc1ccc(CC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000424007997 648609572 /nfs/dbraw/zinc/60/95/72/648609572.db2.gz VTWMPSMJRMDXID-OAHLLOKOSA-N 1 0 392.301 2.214 20 0 GEADRO O=C(Nc1cccc(I)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424071400 648610896 /nfs/dbraw/zinc/61/08/96/648610896.db2.gz BIICMECYNVXXKF-GFCCVEGCSA-N 1 0 397.220 2.060 20 0 GEADRO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(Br)c(I)c1 ZINC000424112295 648613787 /nfs/dbraw/zinc/61/37/87/648613787.db2.gz JCLMTHNQFCYRDU-IMTBSYHQSA-N 1 0 381.011 2.339 20 0 GEADRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(F)cc1I ZINC000424171958 648615293 /nfs/dbraw/zinc/61/52/93/648615293.db2.gz MWSWHFYTHJLICM-UHFFFAOYSA-N 1 0 385.242 2.345 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000424206742 648618013 /nfs/dbraw/zinc/61/80/13/648618013.db2.gz ONKLBLFLTWBJCT-OAHLLOKOSA-N 1 0 391.269 2.180 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(F)c(I)c1 ZINC000424309992 648622564 /nfs/dbraw/zinc/62/25/64/648622564.db2.gz BOKZLYUNHNOSGY-PRHODGIISA-N 1 0 390.196 2.228 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424452523 648629031 /nfs/dbraw/zinc/62/90/31/648629031.db2.gz HXDASSHZKAOXIQ-TZMCWYRMSA-N 1 0 383.290 2.265 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000424469782 648629535 /nfs/dbraw/zinc/62/95/35/648629535.db2.gz POEYZSIUUDGUDY-FDRIWYBQSA-N 1 0 398.301 2.083 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)Cc1noc2ccc(Br)cc12 ZINC000424693435 648639698 /nfs/dbraw/zinc/63/96/98/648639698.db2.gz UKSHZPFYFUVDFL-UHFFFAOYSA-N 1 0 384.274 2.217 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc21)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000424827005 648650734 /nfs/dbraw/zinc/65/07/34/648650734.db2.gz SHQNQAZDSSYJKM-CYBMUJFWSA-N 1 0 396.285 2.096 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)CCOCC1CC1 ZINC000425154521 648665206 /nfs/dbraw/zinc/66/52/06/648665206.db2.gz IFVJDUYZVFUONG-UHFFFAOYSA-N 1 0 376.469 2.085 20 0 GEADRO CS(=O)(=O)CCCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000425436631 648677630 /nfs/dbraw/zinc/67/76/30/648677630.db2.gz XNQHKGQZFJNCCO-UHFFFAOYSA-N 1 0 387.571 2.084 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426107763 648703857 /nfs/dbraw/zinc/70/38/57/648703857.db2.gz BHFDLQKAOYAAIR-JTQLQIEISA-N 1 0 397.850 2.360 20 0 GEADRO CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CC[NH2+]CC2)cc1 ZINC000428489645 648735470 /nfs/dbraw/zinc/73/54/70/648735470.db2.gz KFVMMFMESCILPI-UHFFFAOYSA-N 1 0 376.503 2.287 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000428581257 648738722 /nfs/dbraw/zinc/73/87/22/648738722.db2.gz YKYQUFLGONDBDV-CQSZACIVSA-N 1 0 387.933 2.417 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000428606316 648741037 /nfs/dbraw/zinc/74/10/37/648741037.db2.gz ZGLGRLZGCVBCKD-ZBFHGGJFSA-N 1 0 396.329 2.136 20 0 GEADRO OC[C@@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccc(Br)c(F)c1 ZINC000429010439 648742755 /nfs/dbraw/zinc/74/27/55/648742755.db2.gz PTVIWLQHAWETNY-BLLLJJGKSA-N 1 0 388.233 2.382 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)CCC(=O)c1ccc(I)cc1 ZINC000429154213 648746410 /nfs/dbraw/zinc/74/64/10/648746410.db2.gz ZFFDGBYYWAPNGB-ZDUSSCGKSA-N 1 0 388.249 2.354 20 0 GEADRO C[C@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000429149513 648746524 /nfs/dbraw/zinc/74/65/24/648746524.db2.gz GOSKTSWMWXWYPG-SMDDNHRTSA-N 1 0 383.290 2.156 20 0 GEADRO C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC[C@H]1[NH3+] ZINC000429164459 648746965 /nfs/dbraw/zinc/74/69/65/648746965.db2.gz CRBWOWGQPSMDJH-DGCLKSJQSA-N 1 0 399.563 2.097 20 0 GEADRO C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC[C@@H]1[NH3+] ZINC000429164463 648747459 /nfs/dbraw/zinc/74/74/59/648747459.db2.gz CRBWOWGQPSMDJH-YPMHNXCESA-N 1 0 399.563 2.097 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c(Br)c1 ZINC000429839425 648753824 /nfs/dbraw/zinc/75/38/24/648753824.db2.gz LSFLAPHFDQMXFO-LBPRGKRZSA-N 1 0 398.301 2.339 20 0 GEADRO Cn1ncc(I)c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000429849400 648754724 /nfs/dbraw/zinc/75/47/24/648754724.db2.gz KRSJHZJHYOMUEB-UHFFFAOYSA-N 1 0 390.269 2.019 20 0 GEADRO COCC[C@]1(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000429887395 648757937 /nfs/dbraw/zinc/75/79/37/648757937.db2.gz IQLDYPQBBMSWLC-FUHWJXTLSA-N 1 0 397.313 2.365 20 0 GEADRO CCCC[N@H+](C)CCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430716491 648765845 /nfs/dbraw/zinc/76/58/45/648765845.db2.gz DIWNIHFBGLGNRN-LBPRGKRZSA-N 1 0 392.363 2.479 20 0 GEADRO CC[NH+](CC)C[C@H](C)N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430711088 648766034 /nfs/dbraw/zinc/76/60/34/648766034.db2.gz VMUQTVGNBYQDDG-NWDGAFQWSA-N 1 0 392.363 2.477 20 0 GEADRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724420 648766352 /nfs/dbraw/zinc/76/63/52/648766352.db2.gz VUJUSFYWVQVQDP-YGRLFVJLSA-N 1 0 379.320 2.154 20 0 GEADRO C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430738683 648767197 /nfs/dbraw/zinc/76/71/97/648767197.db2.gz FWIKAFLTMVIHDD-ZETCQYMHSA-N 1 0 391.209 2.284 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430931330 648770437 /nfs/dbraw/zinc/77/04/37/648770437.db2.gz ZKBJNTFABBZKLM-HUUCEWRRSA-N 1 0 398.345 2.346 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000432814941 648780383 /nfs/dbraw/zinc/78/03/83/648780383.db2.gz YQBJSFPOPWJLJP-CQSZACIVSA-N 1 0 397.313 2.390 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)cc3c2OCC3)CCCCC1 ZINC000440742332 648811693 /nfs/dbraw/zinc/81/16/93/648811693.db2.gz TUILTQSYPIIDNR-UHFFFAOYSA-N 1 0 389.315 2.324 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000440746384 648812002 /nfs/dbraw/zinc/81/20/02/648812002.db2.gz JYEMEDHLAFZVGY-CQSZACIVSA-N 1 0 377.279 2.271 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440746989 648812031 /nfs/dbraw/zinc/81/20/31/648812031.db2.gz LORHXZFWPIJUGY-OAHLLOKOSA-N 1 0 388.917 2.270 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000440746909 648812040 /nfs/dbraw/zinc/81/20/40/648812040.db2.gz KQDUVXQQSDCCSV-DYEKYZERSA-N 1 0 376.906 2.112 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cncc(Cl)c1 ZINC000440806996 648814039 /nfs/dbraw/zinc/81/40/39/648814039.db2.gz IYLWPAVSCMLVFB-BBRMVZONSA-N 1 0 387.839 2.437 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000440837619 648815511 /nfs/dbraw/zinc/81/55/11/648815511.db2.gz ZOODBHGFJUVRHM-IHRRRGAJSA-N 1 0 388.917 2.113 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)NCc2ccc(Br)s2)CC1(C)C ZINC000440980432 648817913 /nfs/dbraw/zinc/81/79/13/648817913.db2.gz IWDBRDKDWIJKNA-UHFFFAOYSA-N 1 0 389.363 2.336 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000441033117 648818841 /nfs/dbraw/zinc/81/88/41/648818841.db2.gz OANOWUWRDSKKBP-XHDPSFHLSA-N 1 0 398.301 2.195 20 0 GEADRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)CC1CCOCC1 ZINC000441328333 648825162 /nfs/dbraw/zinc/82/51/62/648825162.db2.gz CFVPQRXHGJVGSL-CYBMUJFWSA-N 1 0 376.469 2.286 20 0 GEADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cc1O ZINC000441362144 648825910 /nfs/dbraw/zinc/82/59/10/648825910.db2.gz VHWCPFKOLGERLJ-UHFFFAOYSA-N 1 0 388.848 2.261 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000441542704 648831543 /nfs/dbraw/zinc/83/15/43/648831543.db2.gz FRTNFCQBSIZHBS-NSHDSACASA-N 1 0 397.310 2.223 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NC[C@H](C)C[NH3+])C1 ZINC000441625712 648832861 /nfs/dbraw/zinc/83/28/61/648832861.db2.gz ZFCAHTXLKTWOER-OCCSQVGLSA-N 1 0 396.329 2.321 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000441674032 648833647 /nfs/dbraw/zinc/83/36/47/648833647.db2.gz UJHCYMHFGGTFNK-UHFFFAOYSA-N 1 0 386.265 2.327 20 0 GEADRO COc1ccc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cn1 ZINC000442599388 648844761 /nfs/dbraw/zinc/84/47/61/648844761.db2.gz BJZIOBKNQVXZQR-UHFFFAOYSA-N 1 0 385.873 2.485 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000443250298 648869199 /nfs/dbraw/zinc/86/91/99/648869199.db2.gz VLOQRYXEQLTZPE-NWDGAFQWSA-N 1 0 382.507 2.449 20 0 GEADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1csnc1C(=O)OC ZINC000443375895 648875160 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CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550836822 651115719 /nfs/dbraw/zinc/11/57/19/651115719.db2.gz XFCABCUMLWMFIL-GOSISDBHSA-N 1 0 383.945 2.242 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000551436730 651124537 /nfs/dbraw/zinc/12/45/37/651124537.db2.gz VXLIPPVGJHTVQD-LBPRGKRZSA-N 1 0 388.331 2.070 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000551500514 651126117 /nfs/dbraw/zinc/12/61/17/651126117.db2.gz RTHUPSOZDFIACE-LLVKDONJSA-N 1 0 392.905 2.144 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000551522563 651127703 /nfs/dbraw/zinc/12/77/03/651127703.db2.gz NXDSCQMLFDNMEB-GFCCVEGCSA-N 1 0 375.922 2.456 20 0 GEADRO Cc1ncc(CNC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000551682649 651129686 /nfs/dbraw/zinc/12/96/86/651129686.db2.gz XSRPWXAQTSXDOW-HNNXBMFYSA-N 1 0 380.901 2.140 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000551766788 651132303 /nfs/dbraw/zinc/13/23/03/651132303.db2.gz PRZKKIAGAIFSOW-UWVGGRQHSA-N 1 0 378.420 2.480 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000551821436 651133736 /nfs/dbraw/zinc/13/37/36/651133736.db2.gz KJGNIHICBQMOGD-ZIAGYGMSSA-N 1 0 399.329 2.497 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000551852823 651134060 /nfs/dbraw/zinc/13/40/60/651134060.db2.gz DQKXCATVBCNQIK-AWEZNQCLSA-N 1 0 398.345 2.295 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)NCc2sccc2Br)CC1 ZINC000552052693 651138986 /nfs/dbraw/zinc/13/89/86/651138986.db2.gz YCBUNDBNYFBAGI-UHFFFAOYSA-N 1 0 389.363 2.337 20 0 GEADRO CC(C)[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1nncn1C ZINC000552120592 651140971 /nfs/dbraw/zinc/14/09/71/651140971.db2.gz ARPUAVAVTHPBPV-ZFWWWQNUSA-N 1 0 383.290 2.304 20 0 GEADRO O=S(=O)(NCCC[NH2+][C@H]1CCSC1)c1ccccc1Br ZINC000552318346 651146690 /nfs/dbraw/zinc/14/66/90/651146690.db2.gz XPRSVHNVPVXFGW-NSHDSACASA-N 1 0 379.345 2.213 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000552544517 651152481 /nfs/dbraw/zinc/15/24/81/651152481.db2.gz XPNOMBWLAAGNEL-UHFFFAOYSA-N 1 0 398.345 2.482 20 0 GEADRO C[C@H](CNC(=O)CCNC(=O)Nc1ccc(Br)cc1)C[NH+](C)C ZINC000552887366 651160501 /nfs/dbraw/zinc/16/05/01/651160501.db2.gz WTPOSYNVZSHYPD-GFCCVEGCSA-N 1 0 385.306 2.275 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000553024214 651162564 /nfs/dbraw/zinc/16/25/64/651162564.db2.gz CODKFEWMWALROD-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1cnc(NC(C)=O)s1)c1ccco1 ZINC000553541728 651179801 /nfs/dbraw/zinc/17/98/01/651179801.db2.gz ADMYIKLMVQARCM-ZYHUDNBSSA-N 1 0 386.499 2.102 20 0 GEADRO [NH3+]C1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000554302705 651202039 /nfs/dbraw/zinc/20/20/39/651202039.db2.gz CGLLJQSXGMZVOB-UHFFFAOYSA-N 1 0 394.313 2.251 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H](C)CC(N)=O ZINC000554626711 651208860 /nfs/dbraw/zinc/20/88/60/651208860.db2.gz ACRLFBFNPJKCMV-NSHDSACASA-N 1 0 387.274 2.053 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccncc1OCC[NH+](C)C ZINC000554708973 651211427 /nfs/dbraw/zinc/21/14/27/651211427.db2.gz FVAYLMOSZJGYLO-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(Br)c1O ZINC000554726831 651211730 /nfs/dbraw/zinc/21/17/30/651211730.db2.gz QCPHWSLEBFEEAE-JTQLQIEISA-N 1 0 378.288 2.078 20 0 GEADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000555548004 651228656 /nfs/dbraw/zinc/22/86/56/651228656.db2.gz ZFHVYJSSIZXBPF-PBHICJAKSA-N 1 0 380.330 2.236 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000555785638 651229812 /nfs/dbraw/zinc/22/98/12/651229812.db2.gz GDIPXGYSXMPWII-LLVKDONJSA-N 1 0 390.347 2.016 20 0 GEADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000556146664 651237495 /nfs/dbraw/zinc/23/74/95/651237495.db2.gz HGRJTCHWNHFCEQ-YVECIDJPSA-N 1 0 386.480 2.175 20 0 GEADRO CSCCCCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556305535 651240411 /nfs/dbraw/zinc/24/04/11/651240411.db2.gz PBMOSKHFUNFYED-UHFFFAOYSA-N 1 0 387.615 2.114 20 0 GEADRO O=C(CNC(=O)c1ccsc1Br)NCC[NH+]1CCCCCC1 ZINC000556323065 651240949 /nfs/dbraw/zinc/24/09/49/651240949.db2.gz UVBLTLZFUJRHPA-UHFFFAOYSA-N 1 0 388.331 2.233 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000556793632 651252591 /nfs/dbraw/zinc/25/25/91/651252591.db2.gz FLXASYLDGSJTMO-INIZCTEOSA-N 1 0 394.313 2.104 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000556823227 651254378 /nfs/dbraw/zinc/25/43/78/651254378.db2.gz LUDGWALDWYWPDN-ZDUSSCGKSA-N 1 0 385.917 2.377 20 0 GEADRO CCC[NH+]1CCC(NCc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000556888541 651255922 /nfs/dbraw/zinc/25/59/22/651255922.db2.gz YITLOKXMWZZUBE-UHFFFAOYSA-N 1 0 390.347 2.061 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000556888217 651255999 /nfs/dbraw/zinc/25/59/99/651255999.db2.gz GAPTYEOFUUWKJH-LBPRGKRZSA-N 1 0 379.302 2.401 20 0 GEADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)[C@@H]1CCOC1 ZINC000556916150 651256922 /nfs/dbraw/zinc/25/69/22/651256922.db2.gz XIAMJDVGSDXWSJ-QWHCGFSZSA-N 1 0 391.331 2.132 20 0 GEADRO CN(CCC[NH3+])C(=O)NCc1c(Br)cncc1Br ZINC000557231571 651266813 /nfs/dbraw/zinc/26/68/13/651266813.db2.gz ONCWSWDKYXUDCX-UHFFFAOYSA-N 1 0 380.084 2.097 20 0 GEADRO Cc1nc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c(Br)s1 ZINC000557630381 651270931 /nfs/dbraw/zinc/27/09/31/651270931.db2.gz BNWURHOLOAJLDH-GFCCVEGCSA-N 1 0 389.363 2.216 20 0 GEADRO O=C(NC1CCN(CC(F)(F)F)CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000557657125 651271469 /nfs/dbraw/zinc/27/14/69/651271469.db2.gz UYPSNLAEWIWKTH-OAHLLOKOSA-N 1 0 379.492 2.347 20 0 GEADRO C[NH+](C)CCOc1cccc(NC(=O)NCCn2cc(Br)cn2)c1 ZINC000558285274 651278211 /nfs/dbraw/zinc/27/82/11/651278211.db2.gz CHPUYCHOIATCHA-UHFFFAOYSA-N 1 0 396.289 2.408 20 0 GEADRO CC[C@@H](CSC)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000558308030 651278551 /nfs/dbraw/zinc/27/85/51/651278551.db2.gz OQIFVMSHASZLHQ-HNNXBMFYSA-N 1 0 387.615 2.112 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCOc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000558442189 651279635 /nfs/dbraw/zinc/27/96/35/651279635.db2.gz CRZXCNDVSBSJGL-OLZOCXBDSA-N 1 0 390.311 2.469 20 0 GEADRO Cn1cc(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cn1 ZINC000558508395 651281066 /nfs/dbraw/zinc/28/10/66/651281066.db2.gz FHGIZNVBYLMCLI-CQSZACIVSA-N 1 0 384.299 2.233 20 0 GEADRO CNC(=O)c1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1Br ZINC000558498873 651281099 /nfs/dbraw/zinc/28/10/99/651281099.db2.gz PTLLOCKGBXJKOG-NSHDSACASA-N 1 0 383.290 2.272 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000558616320 651283447 /nfs/dbraw/zinc/28/34/47/651283447.db2.gz RZNXMCINSBTPHU-LBPRGKRZSA-N 1 0 395.978 2.259 20 0 GEADRO Cc1nc(N2CC[NH+](C3CCC(C(C)C)CC3)CC2)sc1S(N)(=O)=O ZINC000558785278 651285633 /nfs/dbraw/zinc/28/56/33/651285633.db2.gz NXAMFSGFTWAPHV-UHFFFAOYSA-N 1 0 386.587 2.436 20 0 GEADRO COCCN(C)C[C@@H](O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000559636519 651299622 /nfs/dbraw/zinc/29/96/22/651299622.db2.gz CJCNNKBVCXCCDR-QGZVFWFLSA-N 1 0 385.346 2.352 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1C ZINC000559814503 651301602 /nfs/dbraw/zinc/30/16/02/651301602.db2.gz NWWHMRBFXKWHAW-KOLCDFICSA-N 1 0 378.420 2.128 20 0 GEADRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc(I)c1 ZINC000560259583 651305571 /nfs/dbraw/zinc/30/55/71/651305571.db2.gz XTGUYFJBCGRXDK-AWEZNQCLSA-N 1 0 377.222 2.349 20 0 GEADRO C[C@H](NC(=O)c1cc(F)c(Br)cc1Cl)C(=O)NCC[NH+](C)C ZINC000560566937 651311575 /nfs/dbraw/zinc/31/15/75/651311575.db2.gz RGVIBDCXJZOOIY-QMMMGPOBSA-N 1 0 394.672 2.038 20 0 GEADRO C[C@@H]1COCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000560575546 651311808 /nfs/dbraw/zinc/31/18/08/651311808.db2.gz UPHYCYQVCOVIBZ-TZMCWYRMSA-N 1 0 391.331 2.132 20 0 GEADRO CC[C@H]([NH3+])c1cn([C@H](C)C(=O)Nc2ccc(I)cc2)nn1 ZINC000603190681 651471308 /nfs/dbraw/zinc/47/13/08/651471308.db2.gz 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Cc1cc(Br)ccc1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000643688866 651495085 /nfs/dbraw/zinc/49/50/85/651495085.db2.gz MJPHCUKGYVWHDL-CQSZACIVSA-N 1 0 378.274 2.204 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000562576372 651496967 /nfs/dbraw/zinc/49/69/67/651496967.db2.gz AMLKGIHPMMEJIX-ZDUSSCGKSA-N 1 0 384.318 2.416 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000562757877 651501427 /nfs/dbraw/zinc/50/14/27/651501427.db2.gz QHUFCOUJGLVWQP-LLVKDONJSA-N 1 0 380.286 2.074 20 0 GEADRO O=C(CNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CC[NH2+]CC1 ZINC000562972270 651504087 /nfs/dbraw/zinc/50/40/87/651504087.db2.gz PEPIENUOAIOOMQ-UHFFFAOYSA-N 1 0 399.303 2.279 20 0 GEADRO Cc1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000727063985 651509738 /nfs/dbraw/zinc/50/97/38/651509738.db2.gz OMFMJYNXUPRZMC-UHFFFAOYSA-N 1 0 386.587 2.120 20 0 GEADRO O=C(CCN1CC[NH2+]C[C@@H]1C(F)F)Nc1ccc(Br)cc1F ZINC000563149560 651512417 /nfs/dbraw/zinc/51/24/17/651512417.db2.gz LDGNGFLRFGCWIY-GFCCVEGCSA-N 1 0 380.208 2.456 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000643970607 651512779 /nfs/dbraw/zinc/51/27/79/651512779.db2.gz CGHRIGJGASMQMK-CYBMUJFWSA-N 1 0 380.901 2.437 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000727161290 651513659 /nfs/dbraw/zinc/51/36/59/651513659.db2.gz FOKDOMOKUKDLCE-OCCSQVGLSA-N 1 0 376.954 2.024 20 0 GEADRO CC(C)NC(=O)CNC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000727273028 651516949 /nfs/dbraw/zinc/51/69/49/651516949.db2.gz XTLATOQGHUVLPD-UHFFFAOYSA-N 1 0 382.961 2.293 20 0 GEADRO CC1(C)C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000644075879 651520128 /nfs/dbraw/zinc/52/01/28/651520128.db2.gz PKRIHKLEOGVJFJ-LBPRGKRZSA-N 1 0 380.286 2.012 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000604789755 651523144 /nfs/dbraw/zinc/52/31/44/651523144.db2.gz DYTLOCCVEYAKHR-LBPRGKRZSA-N 1 0 382.555 2.246 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000605012308 651528075 /nfs/dbraw/zinc/52/80/75/651528075.db2.gz BEHOLFOEMFUEMB-UHFFFAOYSA-N 1 0 397.361 2.318 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000644265107 651528627 /nfs/dbraw/zinc/52/86/27/651528627.db2.gz IOQDPSNDWASBJT-LLVKDONJSA-N 1 0 379.320 2.324 20 0 GEADRO O=C(NCCNc1cccc(Br)c1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000563533711 651530860 /nfs/dbraw/zinc/53/08/60/651530860.db2.gz BWEASEWFWPUEMW-LLVKDONJSA-N 1 0 378.274 2.091 20 0 GEADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@H]2CC2(Cl)Cl)c2ccccc2)CC1 ZINC000727842654 651531388 /nfs/dbraw/zinc/53/13/88/651531388.db2.gz ZOOVZGWZFNRCKL-CVEARBPZSA-N 1 0 385.339 2.468 20 0 GEADRO O=C(NCCOc1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563551255 651532061 /nfs/dbraw/zinc/53/20/61/651532061.db2.gz MIBFNFQQIKCRMN-OKILXGFUSA-N 1 0 382.302 2.469 20 0 GEADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563549881 651532133 /nfs/dbraw/zinc/53/21/33/651532133.db2.gz IBEWDNJHOZHOSB-ZSHCYNCHSA-N 1 0 394.313 2.014 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644298711 651532622 /nfs/dbraw/zinc/53/26/22/651532622.db2.gz GKSGYSNYVHRXMI-DGCLKSJQSA-N 1 0 389.315 2.091 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000605245425 651533793 /nfs/dbraw/zinc/53/37/93/651533793.db2.gz MQSJRULQSRPGRL-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000563681386 651536643 /nfs/dbraw/zinc/53/66/43/651536643.db2.gz LZTLCIYLAASNST-UHFFFAOYSA-N 1 0 390.285 2.412 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000605436698 651537080 /nfs/dbraw/zinc/53/70/80/651537080.db2.gz DDEHUOGFCAXUSD-OAHLLOKOSA-N 1 0 382.302 2.170 20 0 GEADRO CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000563708989 651539037 /nfs/dbraw/zinc/53/90/37/651539037.db2.gz SMZZKCTVLPSQIW-HZPDHXFCSA-N 1 0 385.302 2.320 20 0 GEADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563489 651539207 /nfs/dbraw/zinc/53/92/07/651539207.db2.gz FORVTTXHNVIMMD-UHFFFAOYSA-N 1 0 397.317 2.234 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000563715540 651539723 /nfs/dbraw/zinc/53/97/23/651539723.db2.gz MORHGXPTFNWHPJ-UHFFFAOYSA-N 1 0 390.709 2.162 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728174583 651539973 /nfs/dbraw/zinc/53/99/73/651539973.db2.gz SNXJKHYNXFUKNW-GDBMZVCRSA-N 1 0 386.286 2.416 20 0 GEADRO CCn1c(CNC(=O)NCC[NH+]2CCC2)nc2cc(Br)ccc21 ZINC000563849732 651545796 /nfs/dbraw/zinc/54/57/96/651545796.db2.gz RLJPPFVMUXFUAP-UHFFFAOYSA-N 1 0 380.290 2.324 20 0 GEADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000563889243 651547396 /nfs/dbraw/zinc/54/73/96/651547396.db2.gz NXBDBODBCJBTQZ-MFKMUULPSA-N 1 0 376.254 2.115 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000606032823 651548333 /nfs/dbraw/zinc/54/83/33/651548333.db2.gz FAROVBHYBOBWMB-UHFFFAOYSA-N 1 0 386.265 2.327 20 0 GEADRO O=S(=O)(CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000644524065 651552560 /nfs/dbraw/zinc/55/25/60/651552560.db2.gz OPYVYYOXNHQMFQ-LSDHHAIUSA-N 1 0 387.343 2.439 20 0 GEADRO COCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644546894 651553588 /nfs/dbraw/zinc/55/35/88/651553588.db2.gz WDTVTYSGEHMUCJ-ZIAGYGMSSA-N 1 0 377.312 2.434 20 0 GEADRO C[C@H]([NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000644553054 651553672 /nfs/dbraw/zinc/55/36/72/651553672.db2.gz JNUNESPHCZCACQ-CORIIIEPSA-N 1 0 380.432 2.433 20 0 GEADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1n[nH]cc1Br ZINC000606482793 651555480 /nfs/dbraw/zinc/55/54/80/651555480.db2.gz ROEKHMATXRUZCQ-UHFFFAOYSA-N 1 0 392.301 2.420 20 0 GEADRO C[NH+](C)CCOc1cccc(CNC(=O)NCc2n[nH]cc2Br)c1 ZINC000606487837 651556167 /nfs/dbraw/zinc/55/61/67/651556167.db2.gz UEZBMYXBKAMUGK-UHFFFAOYSA-N 1 0 396.289 2.112 20 0 GEADRO CCC[C@H](CCCS(C)(=O)=O)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000564139193 651556501 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CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000568393939 651665960 /nfs/dbraw/zinc/66/59/60/651665960.db2.gz XOKZIPLTNBYORX-CHWSQXEVSA-N 1 0 384.318 2.430 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000568394608 651665991 /nfs/dbraw/zinc/66/59/91/651665991.db2.gz QMZDQICDEQIAQT-MNOVXSKESA-N 1 0 387.552 2.144 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568392393 651665998 /nfs/dbraw/zinc/66/59/98/651665998.db2.gz XEKWYNDCFRSIDC-HBNTYKKESA-N 1 0 388.331 2.263 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000568394610 651666481 /nfs/dbraw/zinc/66/64/81/651666481.db2.gz QMZDQICDEQIAQT-WDEREUQCSA-N 1 0 387.552 2.144 20 0 GEADRO COc1cc(CNC(=O)N(C)CC[N@H+](C)C2CC2)c(Br)cc1O ZINC000645923321 651669109 /nfs/dbraw/zinc/66/91/09/651669109.db2.gz SOELGPOVHGBENX-UHFFFAOYSA-N 1 0 386.290 2.399 20 0 GEADRO CO[C@H]1CCN(C(=O)CCOc2ccc(C)cc2Br)[C@H](C[NH3+])C1 ZINC000568500607 651670022 /nfs/dbraw/zinc/67/00/22/651670022.db2.gz RUCRJHLAXNQBRP-KBPBESRZSA-N 1 0 385.302 2.491 20 0 GEADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]C1(c2cc(Br)ccc2OC)CC1 ZINC000645973752 651672081 /nfs/dbraw/zinc/67/20/81/651672081.db2.gz KPOKUVWKADYUNU-OCCSQVGLSA-N 1 0 388.302 2.449 20 0 GEADRO C[C@@]([NH3+])(C(=O)NCCCOC[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000646063102 651677759 /nfs/dbraw/zinc/67/77/59/651677759.db2.gz LHIFLJDMSFGDQJ-GUYCJALGSA-N 1 0 385.302 2.182 20 0 GEADRO O=c1ccn(Cc2cccc(Br)c2)c(=O)n1CCC1CC[NH2+]CC1 ZINC000646070856 651678205 /nfs/dbraw/zinc/67/82/05/651678205.db2.gz GVORJCJLGSURCK-UHFFFAOYSA-N 1 0 392.297 2.211 20 0 GEADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000568744980 651678673 /nfs/dbraw/zinc/67/86/73/651678673.db2.gz MIABIZPVQXHWMK-RISCZKNCSA-N 1 0 395.301 2.019 20 0 GEADRO Cc1ccc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(Br)c1 ZINC000646170477 651680213 /nfs/dbraw/zinc/68/02/13/651680213.db2.gz RJUCRUIZCBQOEB-GFCCVEGCSA-N 1 0 383.290 2.341 20 0 GEADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646220224 651682896 /nfs/dbraw/zinc/68/28/96/651682896.db2.gz MQEWWLLGSTXBIW-CQSZACIVSA-N 1 0 385.302 2.423 20 0 GEADRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000646264996 651684459 /nfs/dbraw/zinc/68/44/59/651684459.db2.gz IEOQDQZIVNCMKS-QAPCUYQASA-N 1 0 389.297 2.413 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cc(Br)ccc1F ZINC000646270068 651685157 /nfs/dbraw/zinc/68/51/57/651685157.db2.gz UYOCKGWJFIJIEV-SNVBAGLBSA-N 1 0 387.253 2.172 20 0 GEADRO CO[C@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCOC1 ZINC000568873782 651686126 /nfs/dbraw/zinc/68/61/26/651686126.db2.gz MCKDCSUSZSYBAB-WFASDCNBSA-N 1 0 394.693 2.237 20 0 GEADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000610803708 651687605 /nfs/dbraw/zinc/68/76/05/651687605.db2.gz SXDVHVJGHLPSLQ-BSEYFRJRSA-N 1 0 380.535 2.324 20 0 GEADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000610803711 651687622 /nfs/dbraw/zinc/68/76/22/651687622.db2.gz SXDVHVJGHLPSLQ-SHACYNPGSA-N 1 0 380.535 2.324 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646340774 651689605 /nfs/dbraw/zinc/68/96/05/651689605.db2.gz IDLCXPGKEDPTHY-KCJUWKMLSA-N 1 0 389.091 2.431 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)sc1C(F)(F)F ZINC000568930906 651690033 /nfs/dbraw/zinc/69/00/33/651690033.db2.gz YUDXYTBLXAMIIO-UHFFFAOYSA-N 1 0 380.436 2.455 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000568975382 651693224 /nfs/dbraw/zinc/69/32/24/651693224.db2.gz KDOISDPCMKOQFH-LLVKDONJSA-N 1 0 389.315 2.033 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000568982458 651693867 /nfs/dbraw/zinc/69/38/67/651693867.db2.gz ZQOVXWYEZYCROX-LOWVWBTDSA-N 1 0 390.297 2.164 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)N[C@H](c1nccs1)C(F)(F)F)CCO2 ZINC000646413675 651694693 /nfs/dbraw/zinc/69/46/93/651694693.db2.gz POBCLLLJLRFKKS-LLVKDONJSA-N 1 0 378.420 2.253 20 0 GEADRO O=C(C[NH2+][C@H](CO)C1CCCC1)Nc1cccc(I)c1 ZINC000569038255 651695753 /nfs/dbraw/zinc/69/57/53/651695753.db2.gz PWKSNGDLRWDSLL-CQSZACIVSA-N 1 0 388.249 2.370 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)C3(c4ccc(Br)cc4)CC3)C2)CC1 ZINC000646461017 651698064 /nfs/dbraw/zinc/69/80/64/651698064.db2.gz NJRQPLRKUGVVNI-UHFFFAOYSA-N 1 0 392.341 2.187 20 0 GEADRO C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CC[NH+](C3CCC3)CC2)C1=O ZINC000733296648 651698924 /nfs/dbraw/zinc/69/89/24/651698924.db2.gz BIIGWDVFALUAIC-QGZVFWFLSA-N 1 0 382.917 2.296 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000569102001 651701049 /nfs/dbraw/zinc/70/10/49/651701049.db2.gz JZJITPPSBKRKKR-HAQNSBGRSA-N 1 0 381.420 2.066 20 0 GEADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1Br ZINC000569102078 651701128 /nfs/dbraw/zinc/70/11/28/651701128.db2.gz KOARGZMBXOQNAQ-VHSXEESVSA-N 1 0 392.319 2.120 20 0 GEADRO O=C(C[NH2+]C1CC1)N(CCn1ccnc1)Cc1ccccc1Br ZINC000646557628 651701487 /nfs/dbraw/zinc/70/14/87/651701487.db2.gz ZSVCEVSJAKWELJ-UHFFFAOYSA-N 1 0 377.286 2.426 20 0 GEADRO [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1 ZINC000646580058 651703708 /nfs/dbraw/zinc/70/37/08/651703708.db2.gz UVSFGUFFFCGYSK-HNNXBMFYSA-N 1 0 379.507 2.389 20 0 GEADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000646588684 651704049 /nfs/dbraw/zinc/70/40/49/651704049.db2.gz ZWJSGPSZIGXFQB-UHFFFAOYSA-N 1 0 379.766 2.389 20 0 GEADRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(I)cc2)C[C@@H]1C ZINC000611091799 651706429 /nfs/dbraw/zinc/70/64/29/651706429.db2.gz QDPMWJRGYXLPBQ-LBPRGKRZSA-N 1 0 387.265 2.256 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646618243 651707238 /nfs/dbraw/zinc/70/72/38/651707238.db2.gz HIHZPORIJPJPJV-UHFFFAOYSA-N 1 0 379.258 2.388 20 0 GEADRO C[C@H](CC(=O)NCCC[NH2+]Cc1cccnc1)n1cc(Br)cn1 ZINC000646617688 651707271 /nfs/dbraw/zinc/70/72/71/651707271.db2.gz ZRYSFPMCZBOBKD-CYBMUJFWSA-N 1 0 380.290 2.288 20 0 GEADRO C[C@@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ncc(Br)cn1 ZINC000569335732 651707176 /nfs/dbraw/zinc/70/71/76/651707176.db2.gz NUIHLZFAWIKWPV-YPMHNXCESA-N 1 0 382.306 2.331 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000569339201 651707787 /nfs/dbraw/zinc/70/77/87/651707787.db2.gz UIDQPSBEQQOSKE-UONOGXRCSA-N 1 0 397.313 2.430 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000569362666 651709433 /nfs/dbraw/zinc/70/94/33/651709433.db2.gz LVKGEGKGGSEZMD-CABCVRRESA-N 1 0 378.416 2.222 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569365238 651710065 /nfs/dbraw/zinc/71/00/65/651710065.db2.gz LCPUDDNDVJIYSX-BHTHQVBYSA-N 1 0 394.313 2.305 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000569437658 651713828 /nfs/dbraw/zinc/71/38/28/651713828.db2.gz BBQOABHWYQGWQH-UHFFFAOYSA-N 1 0 398.179 2.093 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000569448603 651714242 /nfs/dbraw/zinc/71/42/42/651714242.db2.gz BSNQGULBXPXVQS-GFCCVEGCSA-N 1 0 377.080 2.418 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000646767950 651718467 /nfs/dbraw/zinc/71/84/67/651718467.db2.gz AFWKKQYWZSHEFJ-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCCS(=O)(=O)C1 ZINC000646783626 651719012 /nfs/dbraw/zinc/71/90/12/651719012.db2.gz XBDWQFILLIQNFJ-INIZCTEOSA-N 1 0 382.551 2.041 20 0 GEADRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000569777749 651723126 /nfs/dbraw/zinc/72/31/26/651723126.db2.gz VFJDUTZZDOGAPQ-XUJVJEKNSA-N 1 0 380.286 2.438 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000646840369 651723203 /nfs/dbraw/zinc/72/32/03/651723203.db2.gz LCSSUFSABGEARO-BLLLJJGKSA-N 1 0 393.285 2.131 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000646912479 651727602 /nfs/dbraw/zinc/72/76/02/651727602.db2.gz VPRXOPDIUDZIIQ-CWRNSKLLSA-N 1 0 379.913 2.018 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000646915685 651727768 /nfs/dbraw/zinc/72/77/68/651727768.db2.gz SNKWAADADWLPLW-GWCFXTLKSA-N 1 0 376.254 2.479 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000646930579 651728523 /nfs/dbraw/zinc/72/85/23/651728523.db2.gz JMPIGJUKIYDCNJ-BONVTDFDSA-N 1 0 376.254 2.067 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000569845767 651728716 /nfs/dbraw/zinc/72/87/16/651728716.db2.gz ATAJNAPYUVEYEO-UHFFFAOYSA-N 1 0 382.357 2.296 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)[C@H]2C1 ZINC000646938036 651729528 /nfs/dbraw/zinc/72/95/28/651729528.db2.gz XXGIXOMJPOPIKL-YPMHNXCESA-N 1 0 377.897 2.447 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H](C)N2CCOCC2)c(Br)c1 ZINC000569874241 651730210 /nfs/dbraw/zinc/73/02/10/651730210.db2.gz XXVXGKGLTHQSRN-OLZOCXBDSA-N 1 0 385.302 2.435 20 0 GEADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647060059 651732817 /nfs/dbraw/zinc/73/28/17/651732817.db2.gz QJVVSRPITUEKFB-TXEJJXNPSA-N 1 0 377.286 2.407 20 0 GEADRO COC[C@]1(CNC(=O)N2CCOc3ccc(Br)cc3C2)CCC[NH2+]1 ZINC000569912320 651733019 /nfs/dbraw/zinc/73/30/19/651733019.db2.gz DBXWOUPDOPEMCX-QGZVFWFLSA-N 1 0 398.301 2.122 20 0 GEADRO Cn1ccnc1Sc1ncc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000647076097 651733263 /nfs/dbraw/zinc/73/32/63/651733263.db2.gz GRSSOHXWIPQEOT-LLVKDONJSA-N 1 0 387.843 2.347 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CCCCC1 ZINC000569926152 651733934 /nfs/dbraw/zinc/73/39/34/651733934.db2.gz NXRCCJUPFORXJF-CQSZACIVSA-N 1 0 396.285 2.417 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)NC[C@H]3CCCC[NH2+]3)cc21 ZINC000647202439 651735766 /nfs/dbraw/zinc/73/57/66/651735766.db2.gz YKTLGWRZOZUAFJ-LLVKDONJSA-N 1 0 386.315 2.361 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)CC[C@@H]1[NH3+] ZINC000647222568 651737373 /nfs/dbraw/zinc/73/73/73/651737373.db2.gz DQZJEJPMQPVVKW-HZMBPMFUSA-N 1 0 386.315 2.299 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000647223242 651737376 /nfs/dbraw/zinc/73/73/76/651737376.db2.gz NCLHDCUWJMYMQG-YGRLFVJLSA-N 1 0 389.905 2.055 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc21 ZINC000647229684 651737909 /nfs/dbraw/zinc/73/79/09/651737909.db2.gz NYIWVFDEGNUYAW-NEPJUHHUSA-N 1 0 398.326 2.456 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCO1 ZINC000647234181 651738260 /nfs/dbraw/zinc/73/82/60/651738260.db2.gz MQDSAWUJNCZJDL-BXUZGUMPSA-N 1 0 383.539 2.331 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647269527 651738403 /nfs/dbraw/zinc/73/84/03/651738403.db2.gz VHSXMONAHREWPH-GWCFXTLKSA-N 1 0 377.304 2.206 20 0 GEADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)C1 ZINC000647278183 651740599 /nfs/dbraw/zinc/74/05/99/651740599.db2.gz KHAJSJRVMXFLBN-LLVKDONJSA-N 1 0 397.324 2.391 20 0 GEADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NCC1=CC[NH2+]CC1 ZINC000647283104 651741085 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CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000570063392 651743810 /nfs/dbraw/zinc/74/38/10/651743810.db2.gz MUZPMPGMUZNFAR-ZDUSSCGKSA-N 1 0 396.329 2.474 20 0 GEADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000647319332 651743826 /nfs/dbraw/zinc/74/38/26/651743826.db2.gz WPZNBRZVILLPKT-LLVKDONJSA-N 1 0 383.258 2.341 20 0 GEADRO CC[C@H](NC(=S)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1cccs1 ZINC000734377870 651743848 /nfs/dbraw/zinc/74/38/48/651743848.db2.gz NFANGSXETBFUHM-HNNXBMFYSA-N 1 0 380.583 2.314 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000570187700 651751698 /nfs/dbraw/zinc/75/16/98/651751698.db2.gz LFFQUEFEQGAXEV-QGZVFWFLSA-N 1 0 380.286 2.279 20 0 GEADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)c2cscn2)CC1 ZINC000570206374 651753345 /nfs/dbraw/zinc/75/33/45/651753345.db2.gz JVLBWBACCVYCRB-CQSZACIVSA-N 1 0 375.560 2.025 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Br)s2)C1 ZINC000612551934 651760994 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Nc1n[nH]c(C2CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)n1 ZINC000647931940 651766312 /nfs/dbraw/zinc/76/63/12/651766312.db2.gz KXUAFIJZZNCHDX-UHFFFAOYSA-N 1 0 384.253 2.547 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647985821 651768546 /nfs/dbraw/zinc/76/85/46/651768546.db2.gz DEBFXCXENWREIK-UONOGXRCSA-N 1 0 396.329 2.463 20 0 GEADRO OC[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)no1)C1CCOCC1 ZINC000570477586 651770029 /nfs/dbraw/zinc/77/00/29/651770029.db2.gz XLLPZXXRIVCBHZ-AWEZNQCLSA-N 1 0 382.258 2.376 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1ccc(F)c(Br)c1 ZINC000648041529 651770928 /nfs/dbraw/zinc/77/09/28/651770928.db2.gz VTRISQQBPRRTNE-KGLIPLIRSA-N 1 0 397.292 2.267 20 0 GEADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@@H](C)C1 ZINC000570500438 651771159 /nfs/dbraw/zinc/77/11/59/651771159.db2.gz LICKACUHYMBATP-GUTXKFCHSA-N 1 0 385.555 2.023 20 0 GEADRO Cc1ccc(C[C@@H](CO)C[NH2+]C[C@H]2CNc3ccnn3C2)cc1Br ZINC000648041186 651771088 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390.281 2.490 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000570559911 651774968 /nfs/dbraw/zinc/77/49/68/651774968.db2.gz QLWUGPPZJSJCPY-HUUCEWRRSA-N 1 0 387.571 2.138 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000648186988 651775872 /nfs/dbraw/zinc/77/58/72/651775872.db2.gz ILRIOPVXENQPCX-JTQLQIEISA-N 1 0 394.269 2.185 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000648202806 651776240 /nfs/dbraw/zinc/77/62/40/651776240.db2.gz SGMZBGCHVLZMHU-LBPRGKRZSA-N 1 0 380.286 2.060 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000570619354 651778977 /nfs/dbraw/zinc/77/89/77/651778977.db2.gz CPWHLUROAPWSDD-INIZCTEOSA-N 1 0 377.535 2.400 20 0 GEADRO OCC[N@@H+]1CCCC[C@@H]1CNc1ncnc2cc(F)c(Br)cc21 ZINC000570642075 651780092 /nfs/dbraw/zinc/78/00/92/651780092.db2.gz NAIORAHZXWFACC-LLVKDONJSA-N 1 0 383.265 2.790 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000570668994 651782225 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Cn1nc2cc(Br)ccc2c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000648736602 651798151 /nfs/dbraw/zinc/79/81/51/651798151.db2.gz BSQVEZWYFHMQFH-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO C[C@@H](CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)n1cc(Br)cn1 ZINC000648737311 651798347 /nfs/dbraw/zinc/79/83/47/651798347.db2.gz JJMAQSZXEHPHRK-AWEZNQCLSA-N 1 0 399.333 2.168 20 0 GEADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1sccc1S(N)(=O)=O)[NH+](C)C ZINC000613839223 651798869 /nfs/dbraw/zinc/79/88/69/651798869.db2.gz UIAPNGKBWKHZLF-DOMZBBRYSA-N 1 0 381.523 2.125 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCO[C@]2(CCOC2)C1)COc1ccc(Br)cc1 ZINC000570955861 651802176 /nfs/dbraw/zinc/80/21/76/651802176.db2.gz JFVFTDVEQXNEQC-ZMSDIMECSA-N 1 0 386.286 2.117 20 0 GEADRO CO[C@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@@H](C[NH3+])C1 ZINC000570964325 651802703 /nfs/dbraw/zinc/80/27/03/651802703.db2.gz MUWXAVXOMVFNIP-MNOVXSKESA-N 1 0 392.244 2.104 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(Br)ccc2O)CC1 ZINC000735963236 651804523 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CO[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1Br ZINC000614071550 651811825 /nfs/dbraw/zinc/81/18/25/651811825.db2.gz REJDMZGAYVDSAV-RDJZCZTQSA-N 1 0 385.302 2.052 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000571153865 651813810 /nfs/dbraw/zinc/81/38/10/651813810.db2.gz XMIXTXHKWJGXRV-DOTOQJQBSA-N 1 0 386.945 2.037 20 0 GEADRO Cc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(C)c1Br ZINC000649072080 651814008 /nfs/dbraw/zinc/81/40/08/651814008.db2.gz YUVIAIQAHFJTFY-CYBMUJFWSA-N 1 0 382.302 2.258 20 0 GEADRO C[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccc(Br)cc1 ZINC000649072278 651814428 /nfs/dbraw/zinc/81/44/28/651814428.db2.gz BPLLREDXMXZWJG-CHWSQXEVSA-N 1 0 382.302 2.131 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)c1cccc(Br)c1 ZINC000649076358 651815113 /nfs/dbraw/zinc/81/51/13/651815113.db2.gz WBHUTDYUJCEWGD-ZDUSSCGKSA-N 1 0 396.329 2.305 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CSc1n[nH]c(-c2cc(Cl)ccc2OC)n1 ZINC000571178577 651815443 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C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000571297568 651824347 /nfs/dbraw/zinc/82/43/47/651824347.db2.gz AEWKZZVQRTXKRV-MRVPVSSYSA-N 1 0 392.681 2.021 20 0 GEADRO CN(CCN1CC[NH2+]CC1)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000649409594 651825493 /nfs/dbraw/zinc/82/54/93/651825493.db2.gz ASKDGKHSWZKDFJ-UHFFFAOYSA-N 1 0 379.302 2.441 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000571325243 651826247 /nfs/dbraw/zinc/82/62/47/651826247.db2.gz LPUBRIMRWSGKRU-RNCFNFMXSA-N 1 0 379.707 2.226 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000649483901 651827178 /nfs/dbraw/zinc/82/71/78/651827178.db2.gz ARGIAPPCSZFALW-CYBMUJFWSA-N 1 0 392.352 2.394 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614435419 651827208 /nfs/dbraw/zinc/82/72/08/651827208.db2.gz FLLRGALWYSXDQM-MRXNPFEDSA-N 1 0 397.313 2.411 20 0 GEADRO CSC[C@@H](O)C[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000571397202 651830357 /nfs/dbraw/zinc/83/03/57/651830357.db2.gz WTECFRILMCDVRP-AWEZNQCLSA-N 1 0 382.507 2.091 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3nscc3Br)cn2)CC1 ZINC000649561979 651830672 /nfs/dbraw/zinc/83/06/72/651830672.db2.gz QLZBLGIKDLLSKS-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC(Cn2cncn2)CC1)c1ccc(Br)cc1 ZINC000571401976 651831018 /nfs/dbraw/zinc/83/10/18/651831018.db2.gz DCIHFSWXTPRWRK-QGZVFWFLSA-N 1 0 392.301 2.153 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000571401201 651831034 /nfs/dbraw/zinc/83/10/34/651831034.db2.gz SFSVQTHMNPAWKP-LLVKDONJSA-N 1 0 394.191 2.275 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000571485930 651835575 /nfs/dbraw/zinc/83/55/75/651835575.db2.gz UXABMDSRSAXGMR-UHFFFAOYSA-N 1 0 386.905 2.194 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000571537391 651838985 /nfs/dbraw/zinc/83/89/85/651838985.db2.gz GZFHVMVQNJKGAH-JTQLQIEISA-N 1 0 395.294 2.346 20 0 GEADRO Cc1c(Br)ccnc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000571538309 651839006 /nfs/dbraw/zinc/83/90/06/651839006.db2.gz QUVJUFTURCSUMO-GFCCVEGCSA-N 1 0 384.322 2.158 20 0 GEADRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000571543266 651839053 /nfs/dbraw/zinc/83/90/53/651839053.db2.gz XKDQLCONFLCLHN-UHFFFAOYSA-N 1 0 378.420 2.035 20 0 GEADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000571539281 651839191 /nfs/dbraw/zinc/83/91/91/651839191.db2.gz DURSNOOZLRJFLZ-KCQAQPDRSA-N 1 0 396.333 2.380 20 0 GEADRO C[NH+](C)C[C@H](CO)NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000614855241 651841224 /nfs/dbraw/zinc/84/12/24/651841224.db2.gz WFWAJTBSWIBHMO-LLVKDONJSA-N 1 0 375.416 2.286 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000571589967 651842208 /nfs/dbraw/zinc/84/22/08/651842208.db2.gz CJBUWFDCPJDPEB-KBPBESRZSA-N 1 0 388.559 2.280 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1Br ZINC000571627751 651844381 /nfs/dbraw/zinc/84/43/81/651844381.db2.gz MLRPKJHIDUQTNF-NSHDSACASA-N 1 0 377.304 2.268 20 0 GEADRO C[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000571670909 651847338 /nfs/dbraw/zinc/84/73/38/651847338.db2.gz VLMFAIQWJVLCQM-RYUDHWBXSA-N 1 0 383.286 2.267 20 0 GEADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc2c1C ZINC000571680284 651848086 /nfs/dbraw/zinc/84/80/86/651848086.db2.gz SVHQGDFIZYGSPO-ZJUUUORDSA-N 1 0 385.511 2.186 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)COc1ccc(Br)cc1 ZINC000571762744 651852337 /nfs/dbraw/zinc/85/23/37/651852337.db2.gz PAMAURLCOQNQJI-IRXDYDNUSA-N 1 0 380.282 2.382 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000571778537 651853627 /nfs/dbraw/zinc/85/36/27/651853627.db2.gz VPHUBCLCPUGJRK-AAEUAGOBSA-N 1 0 388.295 2.217 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000571778681 651853634 /nfs/dbraw/zinc/85/36/34/651853634.db2.gz QQBJNHUEUWAJMM-VIFPVBQESA-N 1 0 383.283 2.249 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1=O ZINC000650306795 651855209 /nfs/dbraw/zinc/85/52/09/651855209.db2.gz AKYACOABIRJONX-UHFFFAOYSA-N 1 0 377.794 2.205 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2OC)CC1 ZINC000650318594 651855678 /nfs/dbraw/zinc/85/56/78/651855678.db2.gz MDKFQKKNTKXWSM-UHFFFAOYSA-N 1 0 389.949 2.043 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000571867290 651858535 /nfs/dbraw/zinc/85/85/35/651858535.db2.gz RHTXFFHKNGWFGO-LBPRGKRZSA-N 1 0 378.274 2.196 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000615314621 651861610 /nfs/dbraw/zinc/86/16/10/651861610.db2.gz PBRBVGQAYCWHHF-GXFFZTMASA-N 1 0 389.315 2.017 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000571920900 651861950 /nfs/dbraw/zinc/86/19/50/651861950.db2.gz ORCUVNBSGSWILG-LBPRGKRZSA-N 1 0 377.304 2.268 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)N3CCN(CCO)C[C@@H]3C)s2)cs1 ZINC000571976374 651864516 /nfs/dbraw/zinc/86/45/16/651864516.db2.gz IZYDHTWWXDIRLT-LBPRGKRZSA-N 1 0 380.539 2.388 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCN(CC(F)F)C1)COc1cc(F)cc(Br)c1 ZINC000571994361 651865990 /nfs/dbraw/zinc/86/59/90/651865990.db2.gz OWTQSICMNLTBTH-CHWSQXEVSA-N 1 0 397.235 2.257 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000572028274 651868748 /nfs/dbraw/zinc/86/87/48/651868748.db2.gz VMSPDFPUAMCIQN-LLVKDONJSA-N 1 0 384.303 2.299 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000615616891 651869523 /nfs/dbraw/zinc/86/95/23/651869523.db2.gz QEDZNCQNUIGCGK-KRWDZBQOSA-N 1 0 381.318 2.468 20 0 GEADRO COc1ccc(CCC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000615656913 651870355 /nfs/dbraw/zinc/87/03/55/651870355.db2.gz JHRIRBIYSCHWNJ-OAHLLOKOSA-N 1 0 399.329 2.353 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000572053669 651870425 /nfs/dbraw/zinc/87/04/25/651870425.db2.gz SZSSSGOKXKNZKC-UHFFFAOYSA-N 1 0 385.302 2.445 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2F)s1 ZINC000572120799 651874263 /nfs/dbraw/zinc/87/42/63/651874263.db2.gz BCVKQLUIPRNYON-UHFFFAOYSA-N 1 0 385.486 2.386 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651264276 651877562 /nfs/dbraw/zinc/87/75/62/651877562.db2.gz PRKZGYDVZDOSND-CQSZACIVSA-N 1 0 385.302 2.352 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000572200818 651878832 /nfs/dbraw/zinc/87/88/32/651878832.db2.gz HOBHOJRBHWIKFY-UHFFFAOYSA-N 1 0 392.352 2.363 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NC3CC[NH+](C)CC3)n2)s1 ZINC000651495480 651882761 /nfs/dbraw/zinc/88/27/61/651882761.db2.gz KZUNQLRJVCZJRD-UHFFFAOYSA-N 1 0 379.511 2.032 20 0 GEADRO O=C(CC[NH2+]CC1CCS(=O)(=O)CC1)Nc1cccc(Br)c1 ZINC000572393437 651889508 /nfs/dbraw/zinc/88/95/08/651889508.db2.gz KFEYVMPCJKMUMC-UHFFFAOYSA-N 1 0 389.315 2.192 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)NCc2ccsc2Br)CC1 ZINC000572413433 651890992 /nfs/dbraw/zinc/89/09/92/651890992.db2.gz DHTWIYTZEJBZBR-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO CCC[NH+]1CCC(N(C)S(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F)CC1 ZINC000572443165 651892765 /nfs/dbraw/zinc/89/27/65/651892765.db2.gz YZMDXMRUZGNXSK-ZDUSSCGKSA-N 1 0 388.452 2.007 20 0 GEADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000572482559 651895553 /nfs/dbraw/zinc/89/55/53/651895553.db2.gz ZGPBTQRBTQIEHH-SNVBAGLBSA-N 1 0 381.723 2.474 20 0 GEADRO O=S1(=O)CCCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000572512913 651896957 /nfs/dbraw/zinc/89/69/57/651896957.db2.gz QYDSFPMNMXDILD-ZFWWWQNUSA-N 1 0 381.416 2.002 20 0 GEADRO OCCCN1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000572524046 651897503 /nfs/dbraw/zinc/89/75/03/651897503.db2.gz RUGLHTRCBSOJFN-HUUCEWRRSA-N 1 0 377.312 2.170 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000572663821 651903679 /nfs/dbraw/zinc/90/36/79/651903679.db2.gz XEGCBCQHKQOWKV-ZJUUUORDSA-N 1 0 395.294 2.345 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000651943673 651906817 /nfs/dbraw/zinc/90/68/17/651906817.db2.gz AFUXOLMRLHAVFX-ZDUSSCGKSA-N 1 0 394.107 2.425 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000651942783 651906836 /nfs/dbraw/zinc/90/68/36/651906836.db2.gz SPUNAPCJRZVEAJ-QGZVFWFLSA-N 1 0 388.302 2.496 20 0 GEADRO Cc1csc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1I ZINC000572719070 651907765 /nfs/dbraw/zinc/90/77/65/651907765.db2.gz GCWFWQKUKZSEEP-VHSXEESVSA-N 1 0 376.263 2.485 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651977877 651908910 /nfs/dbraw/zinc/90/89/10/651908910.db2.gz FJNFLPVJJUUBSH-GOSISDBHSA-N 1 0 391.313 2.194 20 0 GEADRO O[C@]1(CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCCOC1 ZINC000652041206 651910759 /nfs/dbraw/zinc/91/07/59/651910759.db2.gz WAPLHOPVZVJUMU-INIZCTEOSA-N 1 0 381.274 2.051 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000572788071 651912632 /nfs/dbraw/zinc/91/26/32/651912632.db2.gz JYDOFGYQDBDRJC-ZDUSSCGKSA-N 1 0 384.318 2.139 20 0 GEADRO CCN1C[C@@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1=O ZINC000652299526 651914336 /nfs/dbraw/zinc/91/43/36/651914336.db2.gz JOXAIZQRHBJDDF-NXEZZACHSA-N 1 0 394.324 2.160 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348551 651916326 /nfs/dbraw/zinc/91/63/26/651916326.db2.gz HZCCGEZOWFIMAU-SVGFKBNWSA-N 1 0 396.329 2.194 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000652522188 651917418 /nfs/dbraw/zinc/91/74/18/651917418.db2.gz YARJZMDHYSTCHA-UHFFFAOYSA-N 1 0 389.949 2.103 20 0 GEADRO O=C(COC1CC[NH2+]CC1)Nc1nccn1Cc1ccc(Br)cc1 ZINC000572868617 651917898 /nfs/dbraw/zinc/91/78/98/651917898.db2.gz UBZYHXXTKPHHBK-UHFFFAOYSA-N 1 0 393.285 2.401 20 0 GEADRO [NH3+]CC1(CCNC(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000652594979 651918468 /nfs/dbraw/zinc/91/84/68/651918468.db2.gz MAWKXSSYMDMNFY-UHFFFAOYSA-N 1 0 379.262 2.280 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)Nc1ccc(Br)cc1F)C2 ZINC000652627619 651920010 /nfs/dbraw/zinc/92/00/10/651920010.db2.gz CSMIWOSZKPCQOK-QFYYESIMSA-N 1 0 384.249 2.114 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)Nc1ccc(F)c(Br)c1)C2 ZINC000652628962 651920285 /nfs/dbraw/zinc/92/02/85/651920285.db2.gz VRNKQGBUNRKTBP-QFYYESIMSA-N 1 0 384.249 2.114 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000616988995 651921066 /nfs/dbraw/zinc/92/10/66/651921066.db2.gz BFTGNCVHBKNAGB-CYBMUJFWSA-N 1 0 396.329 2.416 20 0 GEADRO O=S(=O)(CCOc1ccccc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000572922737 651921739 /nfs/dbraw/zinc/92/17/39/651921739.db2.gz YWDMSMYXWXRLHX-UHFFFAOYSA-N 1 0 384.567 2.346 20 0 GEADRO Brc1ccc2c(c1)C=C(C[NH2+][C@@H]1CCc3nnnn3CC1)CO2 ZINC000572950687 651924670 /nfs/dbraw/zinc/92/46/70/651924670.db2.gz NLGZNRIDGOERRC-CQSZACIVSA-N 1 0 376.258 2.206 20 0 GEADRO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000740913824 651930359 /nfs/dbraw/zinc/93/03/59/651930359.db2.gz JDTCUMRUQMJBLM-ZOWXZIJZSA-N 1 0 388.295 2.189 20 0 GEADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ncsc1Br ZINC000573042844 651930376 /nfs/dbraw/zinc/93/03/76/651930376.db2.gz KQBVIIBQADCVRV-UHFFFAOYSA-N 1 0 385.287 2.171 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)c3ccc(Br)cc3)C2)C1 ZINC000653186533 651935634 /nfs/dbraw/zinc/93/56/34/651935634.db2.gz MADBLEYOWICIKZ-NUEKZKHPSA-N 1 0 395.297 2.377 20 0 GEADRO CN(CC(=O)NCc1ccc(C[NH3+])cc1F)C(=O)c1ccc(Br)o1 ZINC000653224949 651936257 /nfs/dbraw/zinc/93/62/57/651936257.db2.gz KTNJUIATRVLDFJ-UHFFFAOYSA-N 1 0 398.232 2.028 20 0 GEADRO [NH3+]CC1(CCNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000653218825 651936382 /nfs/dbraw/zinc/93/63/82/651936382.db2.gz MCRNULWUYFCBTQ-CQSZACIVSA-N 1 0 380.286 2.047 20 0 GEADRO CCO[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000653245176 651936615 /nfs/dbraw/zinc/93/66/15/651936615.db2.gz QAJPZBNORLORFW-UEKVPHQBSA-N 1 0 389.265 2.178 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000653257916 651937437 /nfs/dbraw/zinc/93/74/37/651937437.db2.gz BHLYFNINKURJJH-GLQYFDAESA-N 1 0 398.301 2.359 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2c[nH]c(=O)c(Br)c2)C1 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CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2c(cc1Br)OCO2 ZINC000621989046 652172585 /nfs/dbraw/zinc/17/25/85/652172585.db2.gz VEWKZJLGZVRHSP-NSHDSACASA-N 1 0 387.274 2.000 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000657564040 652173386 /nfs/dbraw/zinc/17/33/86/652173386.db2.gz RZRXLLOJWNXGTD-LBPRGKRZSA-N 1 0 390.347 2.059 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657577982 652174773 /nfs/dbraw/zinc/17/47/73/652174773.db2.gz IBXCJERICWRDGB-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO Cc1cc(OC(F)F)c(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000577274645 652175410 /nfs/dbraw/zinc/17/54/10/652175410.db2.gz BZROKMZROFMJTI-LLVKDONJSA-N 1 0 375.441 2.118 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000577280574 652176463 /nfs/dbraw/zinc/17/64/63/652176463.db2.gz YMSOQBMXCOVQPA-MNOVXSKESA-N 1 0 386.290 2.417 20 0 GEADRO C[C@@H](c1nc2ccccc2s1)N1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000747731420 652176796 /nfs/dbraw/zinc/17/67/96/652176796.db2.gz YWXDJSWHQRZVMH-AWEZNQCLSA-N 1 0 377.583 2.411 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc(Br)c1O ZINC000657635567 652182776 /nfs/dbraw/zinc/18/27/76/652182776.db2.gz UVNWAILOMHOSPR-GXSJLCMTSA-N 1 0 378.288 2.219 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000577388144 652184144 /nfs/dbraw/zinc/18/41/44/652184144.db2.gz AWSDCZCTYISPTL-NSHDSACASA-N 1 0 376.320 2.309 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657650696 652186048 /nfs/dbraw/zinc/18/60/48/652186048.db2.gz RRGHDBFVOQGATE-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000657656171 652186629 /nfs/dbraw/zinc/18/66/29/652186629.db2.gz MUMVFVNYZBVDEI-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO O=C(NCC(F)(F)c1ccc(Br)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000622207677 652190625 /nfs/dbraw/zinc/19/06/25/652190625.db2.gz PNRIRMIKFIBQLV-AWEZNQCLSA-N 1 0 388.256 2.047 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000748241697 652196312 /nfs/dbraw/zinc/19/63/12/652196312.db2.gz FBCWZKWEFGYHSH-KMFMINBZSA-N 1 0 389.949 2.235 20 0 GEADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(Cl)cc2SC)CC1 ZINC000657720270 652196299 /nfs/dbraw/zinc/19/62/99/652196299.db2.gz ADGAWRCTHWLRDC-UHFFFAOYSA-N 1 0 385.917 2.227 20 0 GEADRO C[N@@H+]1CCC[C@H](CNc2ncnc3cccc(I)c32)C1 ZINC000577568760 652197405 /nfs/dbraw/zinc/19/74/05/652197405.db2.gz NCFWLMRNSCMPTP-LLVKDONJSA-N 1 0 382.249 2.988 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]Cc1ccccc1 ZINC000577580606 652198706 /nfs/dbraw/zinc/19/87/06/652198706.db2.gz QMFUEMZJUQVTAU-UHFFFAOYSA-N 1 0 381.519 2.434 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)Nc3cccc(Br)c3)C2)nn1 ZINC000577600994 652199966 /nfs/dbraw/zinc/19/99/66/652199966.db2.gz VNZRWXWQKQPXNY-CQSZACIVSA-N 1 0 379.262 2.368 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000577606683 652201011 /nfs/dbraw/zinc/20/10/11/652201011.db2.gz GKOQPDNNELFNEQ-DZGCQCFKSA-N 1 0 387.571 2.302 20 0 GEADRO CC[N@H+](C)C[C@@H](O)CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000577622330 652202736 /nfs/dbraw/zinc/20/27/36/652202736.db2.gz NLUTVBOQDJELPI-QGZVFWFLSA-N 1 0 398.345 2.412 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000577622329 652202787 /nfs/dbraw/zinc/20/27/87/652202787.db2.gz NLUTVBOQDJELPI-KRWDZBQOSA-N 1 0 398.345 2.412 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000577631322 652203610 /nfs/dbraw/zinc/20/36/10/652203610.db2.gz OWIVOWJYXOSFGQ-OAHLLOKOSA-N 1 0 382.302 2.170 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657825367 652209193 /nfs/dbraw/zinc/20/91/93/652209193.db2.gz YXGLQRHWVFURCH-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000577709846 652209200 /nfs/dbraw/zinc/20/92/00/652209200.db2.gz LVKDQVWOXUPNCI-JQWIXIFHSA-N 1 0 379.262 2.149 20 0 GEADRO C[C@@H](Cn1cncn1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000657879827 652213292 /nfs/dbraw/zinc/21/32/92/652213292.db2.gz MNWUMELCNJFQPN-ZDUSSCGKSA-N 1 0 380.290 2.067 20 0 GEADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748712263 652213309 /nfs/dbraw/zinc/21/33/09/652213309.db2.gz SMDRVMIPQMWUQA-INIZCTEOSA-N 1 0 387.933 2.050 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623016558 652214548 /nfs/dbraw/zinc/21/45/48/652214548.db2.gz ALXZTWKCUMTHSL-GFCCVEGCSA-N 1 0 393.289 2.029 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1 ZINC000748774561 652216558 /nfs/dbraw/zinc/21/65/58/652216558.db2.gz IGDOJWKKHJCPLV-UHFFFAOYSA-N 1 0 387.933 2.100 20 0 GEADRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cncc(Br)c1 ZINC000657951394 652221029 /nfs/dbraw/zinc/22/10/29/652221029.db2.gz VICPMUCHVJMRET-ZETOZRRWSA-N 1 0 378.274 2.422 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000657956459 652221519 /nfs/dbraw/zinc/22/15/19/652221519.db2.gz YAFTWVGHXUUDEW-NSHDSACASA-N 1 0 382.302 2.140 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCCN(CC(F)F)CC1)c1ccc(Br)cc1 ZINC000577846440 652221868 /nfs/dbraw/zinc/22/18/68/652221868.db2.gz CVGUDIVUOMLHMB-INIZCTEOSA-N 1 0 390.272 2.422 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(Br)c3F)C2)C1 ZINC000657969888 652223436 /nfs/dbraw/zinc/22/34/36/652223436.db2.gz GLWVUJPMXIKJKX-QGZVFWFLSA-N 1 0 398.276 2.471 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cncc(Br)c1 ZINC000657991663 652227073 /nfs/dbraw/zinc/22/70/73/652227073.db2.gz WKIXTYZQTCLRCD-LBPRGKRZSA-N 1 0 399.310 2.461 20 0 GEADRO COc1cccc(C[C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)n1 ZINC000658091505 652235909 /nfs/dbraw/zinc/23/59/09/652235909.db2.gz FPQDHQXKJSMUJF-LBPRGKRZSA-N 1 0 393.285 2.198 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1cscc1Br)C2 ZINC000578018317 652236106 /nfs/dbraw/zinc/23/61/06/652236106.db2.gz IPFHCZDNPKLYAP-SNVBAGLBSA-N 1 0 384.299 2.295 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000578012162 652236206 /nfs/dbraw/zinc/23/62/06/652236206.db2.gz XEAAGIDJYGGWMY-ZANVPECISA-N 1 0 387.267 2.052 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658126438 652238562 /nfs/dbraw/zinc/23/85/62/652238562.db2.gz PRRYCXRFYGGTQB-CYBMUJFWSA-N 1 0 398.301 2.385 20 0 GEADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1OC1CC1 ZINC000623469820 652239341 /nfs/dbraw/zinc/23/93/41/652239341.db2.gz SCTHJSMCXYHKGB-UHFFFAOYSA-N 1 0 382.507 2.366 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623471920 652240366 /nfs/dbraw/zinc/24/03/66/652240366.db2.gz ZXNHMTCIQXKFIC-GFCCVEGCSA-N 1 0 384.395 2.280 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)c1ccncc1 ZINC000749296297 652244743 /nfs/dbraw/zinc/24/47/43/652244743.db2.gz OFJZBRDYRSDYAC-IUODEOHRSA-N 1 0 382.917 2.493 20 0 GEADRO CN(C)c1c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)ccc(F)c1F ZINC000623521841 652244938 /nfs/dbraw/zinc/24/49/38/652244938.db2.gz KVCCKXAKLDXVFT-IUODEOHRSA-N 1 0 375.485 2.228 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc2ncc(I)n2c1)C1CC1 ZINC000749350823 652247982 /nfs/dbraw/zinc/24/79/82/652247982.db2.gz CCNAHAICQHCKNC-GFCCVEGCSA-N 1 0 398.248 2.009 20 0 GEADRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658254038 652248117 /nfs/dbraw/zinc/24/81/17/652248117.db2.gz XTJRUSMVYYPYJF-HERUPUMHSA-N 1 0 389.315 2.051 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000623599565 652248722 /nfs/dbraw/zinc/24/87/22/652248722.db2.gz LNUIWHXXBJKTGO-MAVJXHJTSA-N 1 0 395.345 2.397 20 0 GEADRO C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)Sc1ccc(Br)cc1 ZINC000578172331 652250358 /nfs/dbraw/zinc/25/03/58/652250358.db2.gz WFBOBEJZQOOTKF-WCQYABFASA-N 1 0 388.331 2.217 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000658296584 652250667 /nfs/dbraw/zinc/25/06/67/652250667.db2.gz IACUSXASNYNJNZ-STQMWFEESA-N 1 0 384.318 2.236 20 0 GEADRO Brc1ccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)s1 ZINC000623653333 652251915 /nfs/dbraw/zinc/25/19/15/652251915.db2.gz DUHZMUNCCIMJME-SNVBAGLBSA-N 1 0 379.287 2.317 20 0 GEADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000623671479 652252904 /nfs/dbraw/zinc/25/29/04/652252904.db2.gz GKSMVLHERSLABU-ZIAGYGMSSA-N 1 0 376.320 2.103 20 0 GEADRO O=C(CC[NH2+]C[C@H]1CC(=O)N(C2CC2)C1)Nc1ccc(Br)cc1 ZINC000578232781 652255122 /nfs/dbraw/zinc/25/51/22/652255122.db2.gz IBBSUHANIQYTKB-GFCCVEGCSA-N 1 0 380.286 2.378 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NCc1cc(F)c(Br)cc1F ZINC000623710156 652255523 /nfs/dbraw/zinc/25/55/23/652255523.db2.gz WXNJBNMNVASGMW-UHFFFAOYSA-N 1 0 394.260 2.495 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000658359602 652255494 /nfs/dbraw/zinc/25/54/94/652255494.db2.gz BXLHRSHFMYJACA-LLVKDONJSA-N 1 0 379.295 2.349 20 0 GEADRO CC(C)OC[C@H](O)C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000578237197 652255610 /nfs/dbraw/zinc/25/56/10/652255610.db2.gz CXZWQCYPWWLDKE-SWLSCSKDSA-N 1 0 378.282 2.115 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000623724056 652256079 /nfs/dbraw/zinc/25/60/79/652256079.db2.gz RUDDOURUUQUDON-LLVKDONJSA-N 1 0 385.306 2.382 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(C)c(Br)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000658362632 652256293 /nfs/dbraw/zinc/25/62/93/652256293.db2.gz VWCGZGYKACPAOM-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)[C@H]1CC[N@H+](C)C1 ZINC000658363132 652257415 /nfs/dbraw/zinc/25/74/15/652257415.db2.gz ZGROSPYJVVRJLA-NSHDSACASA-N 1 0 375.803 2.433 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@@H]1C[NH3+] ZINC000658368734 652258186 /nfs/dbraw/zinc/25/81/86/652258186.db2.gz MXCXAATVSGLPSL-QMTHXVAHSA-N 1 0 379.295 2.477 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000658370956 652258506 /nfs/dbraw/zinc/25/85/06/652258506.db2.gz IPNDIWVOYJSVFP-BDAKNGLRSA-N 1 0 381.267 2.145 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)CC[C@H]1[NH3+] ZINC000658375384 652259529 /nfs/dbraw/zinc/25/95/29/652259529.db2.gz HCJPQJRFTCNGTC-IINYFYTJSA-N 1 0 379.295 2.477 20 0 GEADRO CC1(CNS(=O)(=O)Cc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000658377369 652260003 /nfs/dbraw/zinc/26/00/03/652260003.db2.gz QPECIWLLWFBEFV-UHFFFAOYSA-N 1 0 379.295 2.397 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000658376378 652260168 /nfs/dbraw/zinc/26/01/68/652260168.db2.gz BJWCPHJDDLUSDP-UHFFFAOYSA-N 1 0 389.315 2.436 20 0 GEADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ncccc1Br ZINC000658379341 652260515 /nfs/dbraw/zinc/26/05/15/652260515.db2.gz NNPAPYOMIRKVQY-UHFFFAOYSA-N 1 0 384.299 2.036 20 0 GEADRO [NH3+]CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(F)F ZINC000658381222 652261240 /nfs/dbraw/zinc/26/12/40/652261240.db2.gz BXGGVVJMZQOVBP-SSDOTTSWSA-N 1 0 382.738 2.499 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)nn1 ZINC000578308644 652261275 /nfs/dbraw/zinc/26/12/75/652261275.db2.gz ILGWJOJLWSBAOY-SECBINFHSA-N 1 0 396.325 2.131 20 0 GEADRO O=S(=O)(c1ncccc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000658380638 652261338 /nfs/dbraw/zinc/26/13/38/652261338.db2.gz WFDUKKIMYMSYDN-STQMWFEESA-N 1 0 388.331 2.244 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000658381115 652261426 /nfs/dbraw/zinc/26/14/26/652261426.db2.gz VEHCKSZOUCFGEO-UHFFFAOYSA-N 1 0 377.304 2.348 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)CCc3ccccc3Cl)C2)C1 ZINC000658383646 652262901 /nfs/dbraw/zinc/26/29/01/652262901.db2.gz KIIFPSQXYOLGJF-JZXOWHBKSA-N 1 0 386.945 2.431 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)CCc2ccccc2Cl)CC1 ZINC000658382551 652262932 /nfs/dbraw/zinc/26/29/32/652262932.db2.gz OYBQUHXJOWBJGY-ZWKOTPCHSA-N 1 0 386.945 2.431 20 0 GEADRO COc1cc(C[NH2+]CCN2CC[C@H](O)C2)cc(Br)c1OC(F)F ZINC000623836942 652264036 /nfs/dbraw/zinc/26/40/36/652264036.db2.gz QAEBEVKOHLIDEE-NSHDSACASA-N 1 0 395.244 2.215 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000623838293 652264271 /nfs/dbraw/zinc/26/42/71/652264271.db2.gz NWRZVPFBXYRYJQ-HNNXBMFYSA-N 1 0 379.302 2.099 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CCCC1 ZINC000658390382 652264585 /nfs/dbraw/zinc/26/45/85/652264585.db2.gz OITBVEBCSPUTKW-CYBMUJFWSA-N 1 0 388.917 2.305 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N3CCC[C@@H](C)[C@H]3CCC[NH3+])cnc2c1Cl ZINC000658399886 652265745 /nfs/dbraw/zinc/26/57/45/652265745.db2.gz DURRFXFDXWRLCE-BXUZGUMPSA-N 1 0 385.921 2.219 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000658400721 652265764 /nfs/dbraw/zinc/26/57/64/652265764.db2.gz XZZWBBMKQUNTLJ-MNOVXSKESA-N 1 0 377.304 2.206 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)ccc1Br ZINC000658402461 652265947 /nfs/dbraw/zinc/26/59/47/652265947.db2.gz OTMXAJZVVCPMKW-NSHDSACASA-N 1 0 389.315 2.411 20 0 GEADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1cc(C(F)(F)F)ccc1Br ZINC000658404059 652266485 /nfs/dbraw/zinc/26/64/85/652266485.db2.gz LZZAKLHCOHKVFQ-UHFFFAOYSA-N 1 0 399.232 2.498 20 0 GEADRO Cc1cccc(CC(=O)NCCCC[NH+]2CCN(C)CC2)c1Br ZINC000624051461 652268059 /nfs/dbraw/zinc/26/80/59/652268059.db2.gz DJFDYJNBIKIJJT-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000624070360 652268427 /nfs/dbraw/zinc/26/84/27/652268427.db2.gz GDFTZSBNXNRFIJ-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658434063 652271502 /nfs/dbraw/zinc/27/15/02/652271502.db2.gz TYCPQTHCJLHYMM-OAHLLOKOSA-N 1 0 396.329 2.397 20 0 GEADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000624137990 652273154 /nfs/dbraw/zinc/27/31/54/652273154.db2.gz ZVOAUWOYWULCGS-MRVWCRGKSA-N 1 0 375.560 2.151 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000624205234 652276045 /nfs/dbraw/zinc/27/60/45/652276045.db2.gz VYTSXWFOQXRIJR-NSHDSACASA-N 1 0 392.253 2.234 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C)n1)[C@@H]1CC[N@H+](CC)C1 ZINC000658468605 652277795 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GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC[C@H]1C(F)(F)F ZINC000624390693 652287100 /nfs/dbraw/zinc/28/71/00/652287100.db2.gz GGYGRVJKXLSCQC-PSASIEDQSA-N 1 0 391.337 2.248 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1N(C)C ZINC000624390782 652287132 /nfs/dbraw/zinc/28/71/32/652287132.db2.gz IFHMUKSMYZTTMN-TZMCWYRMSA-N 1 0 379.448 2.209 20 0 GEADRO CCC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000624390772 652287237 /nfs/dbraw/zinc/28/72/37/652287237.db2.gz IEWZOKUBWRDGGK-JSGCOSHPSA-N 1 0 378.416 2.427 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)c1C ZINC000624391502 652288372 /nfs/dbraw/zinc/28/83/72/652288372.db2.gz YWXFOQYFEPRSJX-OLZOCXBDSA-N 1 0 380.432 2.460 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC[C@H]1C(F)(F)F ZINC000624391514 652288414 /nfs/dbraw/zinc/28/84/14/652288414.db2.gz ZFYRXWJVXWCTHJ-GXTWGEPZSA-N 1 0 378.416 2.159 20 0 GEADRO CC1(C)COC[C@@H]1[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000578724794 652288518 /nfs/dbraw/zinc/28/85/18/652288518.db2.gz AFYZIOCBWROHEU-AWEZNQCLSA-N 1 0 387.311 2.052 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000578731722 652289064 /nfs/dbraw/zinc/28/90/64/652289064.db2.gz WGKLGHJKWWPENU-CQSZACIVSA-N 1 0 396.329 2.098 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3c2OCCC3)CC[C@H]1C(F)(F)F ZINC000624392170 652289088 /nfs/dbraw/zinc/28/90/88/652289088.db2.gz LBEYTXNSLWGBFX-CHWSQXEVSA-N 1 0 378.416 2.159 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000624392546 652289539 /nfs/dbraw/zinc/28/95/39/652289539.db2.gz UDWFCKZIRPLQLN-BDAKNGLRSA-N 1 0 391.337 2.248 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624405400 652291154 /nfs/dbraw/zinc/29/11/54/652291154.db2.gz JMQIGKDZDKQGHS-DYEKYZERSA-N 1 0 376.906 2.173 20 0 GEADRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1=O ZINC000578758911 652291148 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CCC[N@H+](CC)CCNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000578930462 652304255 /nfs/dbraw/zinc/30/42/55/652304255.db2.gz WXPZRXMBDFRJRS-UHFFFAOYSA-N 1 0 396.329 2.182 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000579000921 652310508 /nfs/dbraw/zinc/31/05/08/652310508.db2.gz BOBNWVFBDMHXNR-AWEZNQCLSA-N 1 0 378.274 2.065 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)c2ncc(Br)cc2Br)[C@H]1C ZINC000579008257 652310816 /nfs/dbraw/zinc/31/08/16/652310816.db2.gz NURACKUNAPYZEB-SFYZADRCSA-N 1 0 377.080 2.429 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000579005840 652311002 /nfs/dbraw/zinc/31/10/02/652311002.db2.gz ROORLQGYSNIWMF-ZIAGYGMSSA-N 1 0 397.313 2.430 20 0 GEADRO CCN(C(=O)C(=O)N(C)CCc1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000658808665 652315638 /nfs/dbraw/zinc/31/56/38/652315638.db2.gz XXLHCUDRPLUCFY-MRXNPFEDSA-N 1 0 396.329 2.003 20 0 GEADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000624966130 652316018 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COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000751050778 652321898 /nfs/dbraw/zinc/32/18/98/652321898.db2.gz XZBFGJDAEYRHFM-UHFFFAOYSA-N 1 0 389.905 2.064 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000751065235 652322428 /nfs/dbraw/zinc/32/24/28/652322428.db2.gz FOYRUDCUAQGVCG-UHFFFAOYSA-N 1 0 382.507 2.417 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000579211860 652325480 /nfs/dbraw/zinc/32/54/80/652325480.db2.gz UOCAHBRVKZNVIS-AAEUAGOBSA-N 1 0 386.290 2.196 20 0 GEADRO COC[C@]1(CNC(=O)N(C)Cc2cc(Br)cs2)CCC[NH2+]1 ZINC000579211804 652325514 /nfs/dbraw/zinc/32/55/14/652325514.db2.gz PREFUUZAACICPY-CQSZACIVSA-N 1 0 376.320 2.421 20 0 GEADRO Brc1cc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc2c1OCCO2 ZINC000579342608 652332524 /nfs/dbraw/zinc/33/25/24/652332524.db2.gz WVOCJFYGBKVZPP-CVEARBPZSA-N 1 0 383.286 2.077 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000658948410 652333892 /nfs/dbraw/zinc/33/38/92/652333892.db2.gz UELJBIZYFRYZME-WMLDXEAASA-N 1 0 384.929 2.494 20 0 GEADRO C[NH+](C)C[C@@H](CNC(=O)[C@]12CCC(=O)N1CCS2)c1ccc(Cl)cc1 ZINC000579363003 652334077 /nfs/dbraw/zinc/33/40/77/652334077.db2.gz ALOMAQUDNSRMAX-RDTXWAMCSA-N 1 0 381.929 2.167 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000658979050 652335549 /nfs/dbraw/zinc/33/55/49/652335549.db2.gz LQILHMJEEZNJPS-GFCCVEGCSA-N 1 0 388.921 2.244 20 0 GEADRO CC(C)N(CCCNC(=O)C[N@H+](C)[C@H](C)C1CCCCC1)S(C)(=O)=O ZINC000579449304 652338410 /nfs/dbraw/zinc/33/84/10/652338410.db2.gz HXPLEZPORXQION-MRXNPFEDSA-N 1 0 375.579 2.063 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)c2cc(Br)ccc21 ZINC000659075604 652340194 /nfs/dbraw/zinc/34/01/94/652340194.db2.gz ZMJFQIMQNQPYCV-UHFFFAOYSA-N 1 0 394.313 2.271 20 0 GEADRO CC1(C)CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)c2cc(Br)ccc21 ZINC000659079891 652340937 /nfs/dbraw/zinc/34/09/37/652340937.db2.gz YOLHJJLHENPLFW-GFCCVEGCSA-N 1 0 394.313 2.189 20 0 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382.291 2.279 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)s2)cs1 ZINC000627481839 652429597 /nfs/dbraw/zinc/42/95/97/652429597.db2.gz JCPFIRXVLULSMR-JQWIXIFHSA-N 1 0 378.523 2.053 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661377971 652429612 /nfs/dbraw/zinc/42/96/12/652429612.db2.gz YBHZJFOUNGVLBJ-HNNXBMFYSA-N 1 0 376.328 2.055 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627484073 652429773 /nfs/dbraw/zinc/42/97/73/652429773.db2.gz QJTMQGNWJNSYKG-SWLSCSKDSA-N 1 0 382.302 2.054 20 0 GEADRO CCCN(C(=O)C(=O)NCc1csc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000627493588 652430199 /nfs/dbraw/zinc/43/01/99/652430199.db2.gz LRBBLAHGRZUVSI-UHFFFAOYSA-N 1 0 377.432 2.374 20 0 GEADRO CCN1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)C[C@H]1C ZINC000754225244 652430261 /nfs/dbraw/zinc/43/02/61/652430261.db2.gz QIRJRVCWBILKCX-GFCCVEGCSA-N 1 0 378.274 2.196 20 0 GEADRO COC(=O)CC[N@H+](CC[C@H]1CCNC1=O)Cc1cccc(Br)c1 ZINC000582011373 652431816 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Cn1cc(Br)c(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000627622870 652435930 /nfs/dbraw/zinc/43/59/30/652435930.db2.gz AYQIHJGIICUEQN-KGLIPLIRSA-N 1 0 377.286 2.144 20 0 GEADRO CCN(C(=O)CNC(=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000627621520 652435945 /nfs/dbraw/zinc/43/59/45/652435945.db2.gz YCOZIVCXLNZMLD-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000582112108 652435982 /nfs/dbraw/zinc/43/59/82/652435982.db2.gz PNDISDUAZANZGT-WDEREUQCSA-N 1 0 378.274 2.076 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CCC1 ZINC000582117493 652436377 /nfs/dbraw/zinc/43/63/77/652436377.db2.gz SCFSESCFTZLGOG-MRXNPFEDSA-N 1 0 375.918 2.022 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000754459395 652436732 /nfs/dbraw/zinc/43/67/32/652436732.db2.gz UPQNTXUGYHBOQK-LBPRGKRZSA-N 1 0 384.322 2.158 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000582181342 652439017 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GEADRO C[C@](O)(C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)C(F)(F)F ZINC000582416024 652449312 /nfs/dbraw/zinc/44/93/12/652449312.db2.gz RVYOYFVRJJSPDK-HNNXBMFYSA-N 1 0 380.432 2.015 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CCN(Cc3cc4c(cc3Br)OCO4)CC2)C1 ZINC000662157334 652449405 /nfs/dbraw/zinc/44/94/05/652449405.db2.gz PSIVBLHQGPAKBW-CQSZACIVSA-N 1 0 383.286 2.209 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNc2ccc(I)cn2)C[C@H](C)O1 ZINC000582456862 652450784 /nfs/dbraw/zinc/45/07/84/652450784.db2.gz NEZCMBPEZIMHDJ-BETUJISGSA-N 1 0 389.281 2.988 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000582460910 652451357 /nfs/dbraw/zinc/45/13/57/652451357.db2.gz CJAJVKZPGURSSJ-OAHLLOKOSA-N 1 0 382.302 2.134 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(C)c(Br)cn2)CC1 ZINC000628163096 652453567 /nfs/dbraw/zinc/45/35/67/652453567.db2.gz PQGQNGSWTBBHJT-UHFFFAOYSA-N 1 0 383.334 2.139 20 0 GEADRO O=C(CCc1ncc(-c2ccccc2Br)o1)NC[C@@H]1C[NH2+]CCO1 ZINC000582545858 652454852 /nfs/dbraw/zinc/45/48/52/652454852.db2.gz LJKMWCBMONUJTG-LBPRGKRZSA-N 1 0 394.269 2.141 20 0 GEADRO O=C(CN1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(Br)cn1 ZINC000662293466 652455221 /nfs/dbraw/zinc/45/52/21/652455221.db2.gz SGYQXGSKPFOJHC-CQSZACIVSA-N 1 0 381.318 2.494 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2)CCO1 ZINC000662325132 652455687 /nfs/dbraw/zinc/45/56/87/652455687.db2.gz IKEJQQMHAUNAFL-HZPDHXFCSA-N 1 0 384.318 2.018 20 0 GEADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H](C[NH3+])C(F)(F)F ZINC000662330502 652456126 /nfs/dbraw/zinc/45/61/26/652456126.db2.gz NHCLIXSEQQFYSP-VIFPVBQESA-N 1 0 390.150 2.487 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000662332174 652456135 /nfs/dbraw/zinc/45/61/35/652456135.db2.gz NYMGWNCXXKTTSG-NEPJUHHUSA-N 1 0 380.208 2.376 20 0 GEADRO O=C(C[NH2+]CC1CC1)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000582664176 652458163 /nfs/dbraw/zinc/45/81/63/652458163.db2.gz DPOPEWPOPHXFMA-UHFFFAOYSA-N 1 0 393.285 2.243 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662386913 652458357 /nfs/dbraw/zinc/45/83/57/652458357.db2.gz OXGQRKGJYCWUGA-GFCCVEGCSA-N 1 0 392.301 2.326 20 0 GEADRO Cn1ncc(C(F)(F)F)c1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000628354601 652458986 /nfs/dbraw/zinc/45/89/86/652458986.db2.gz PDPNOHNAZFEYLS-GFCCVEGCSA-N 1 0 376.448 2.273 20 0 GEADRO O=C(NCCc1ccc(F)c(Br)c1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662395435 652459132 /nfs/dbraw/zinc/45/91/32/652459132.db2.gz MOFKBVYXUSWVPK-LLVKDONJSA-N 1 0 381.249 2.361 20 0 GEADRO CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000662442670 652461387 /nfs/dbraw/zinc/46/13/87/652461387.db2.gz POJVYBKKGWCOOU-HNNXBMFYSA-N 1 0 385.917 2.451 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)c2nc3ccc(Br)cn3n2)c1 ZINC000582751861 652461654 /nfs/dbraw/zinc/46/16/54/652461654.db2.gz YRVPCSPLZFRJIS-UHFFFAOYSA-N 1 0 388.269 2.483 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2sc3c(c2Br)CNC3)CCSC1 ZINC000662489206 652464209 /nfs/dbraw/zinc/46/42/09/652464209.db2.gz KGIVMBNMXCVOHY-CQSZACIVSA-N 1 0 390.372 2.281 20 0 GEADRO CC(=O)N1CCN(CC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000582857520 652464316 /nfs/dbraw/zinc/46/43/16/652464316.db2.gz SRGUFXOQOFMSCW-UHFFFAOYSA-N 1 0 380.286 2.449 20 0 GEADRO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](O)COc1ccccc1Br ZINC000662503907 652464872 /nfs/dbraw/zinc/46/48/72/652464872.db2.gz YRBWUIVYIDPIJV-KBPBESRZSA-N 1 0 387.318 2.316 20 0 GEADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662517647 652465732 /nfs/dbraw/zinc/46/57/32/652465732.db2.gz NVUDAYOWFVHFGO-HNNXBMFYSA-N 1 0 396.329 2.113 20 0 GEADRO Cc1nn(C)c(C[NH2+]CCN2CCN(c3ccccc3)CC2)c1Br ZINC000582944778 652468018 /nfs/dbraw/zinc/46/80/18/652468018.db2.gz GXSKIBDUZHOCPZ-UHFFFAOYSA-N 1 0 392.345 2.403 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(F)c1F ZINC000582963046 652468779 /nfs/dbraw/zinc/46/87/79/652468779.db2.gz YZTVFCGWCFXJEG-UHFFFAOYSA-N 1 0 376.469 2.227 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662593848 652469253 /nfs/dbraw/zinc/46/92/53/652469253.db2.gz 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CN[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000662716627 652471203 /nfs/dbraw/zinc/47/12/03/652471203.db2.gz GRHJXGMDRHEBQN-VYDXJSESSA-N 1 0 386.323 2.312 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662733269 652472022 /nfs/dbraw/zinc/47/20/22/652472022.db2.gz RYSOIWWORQITMJ-JKSUJKDBSA-N 1 0 396.329 2.145 20 0 GEADRO COC[C@H]([NH3+])C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662736331 652472417 /nfs/dbraw/zinc/47/24/17/652472417.db2.gz REJLWPXRZRZJAL-LBPRGKRZSA-N 1 0 392.091 2.070 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc(Br)cc2C)CC1 ZINC000662745232 652472909 /nfs/dbraw/zinc/47/29/09/652472909.db2.gz KKMMWOOVHXNGSM-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662780113 652474291 /nfs/dbraw/zinc/47/42/91/652474291.db2.gz QGEJBKDBLSKGTF-ILXRZTDVSA-N 1 0 380.286 2.180 20 0 GEADRO CC(C)(C)n1cc(Br)c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000662784099 652474331 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C[C@@](O)(C[C@@H](O)C[NH+]1CCN(c2ccc(Br)cc2)CC1)C1CC1 ZINC000630049912 652501434 /nfs/dbraw/zinc/50/14/34/652501434.db2.gz JYMSEWQYHDECTJ-QZTJIDSGSA-N 1 0 383.330 2.483 20 0 GEADRO O=C(COc1ccc2cc(Br)ccc2c1)N1CCOC2(C[NH2+]C2)C1 ZINC000663489589 652501889 /nfs/dbraw/zinc/50/18/89/652501889.db2.gz UJFICCXXZHJUST-UHFFFAOYSA-N 1 0 391.265 2.182 20 0 GEADRO Brc1ccc(CN2CCOC3(C[NH2+]C3)C2)cc1Br ZINC000663512368 652502104 /nfs/dbraw/zinc/50/21/04/652502104.db2.gz JULHHPYEPMAUBR-UHFFFAOYSA-N 1 0 376.092 2.386 20 0 GEADRO COc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(Br)cn1 ZINC000663573228 652504272 /nfs/dbraw/zinc/50/42/72/652504272.db2.gz CRYMEALTVKHRRR-AWEZNQCLSA-N 1 0 383.334 2.459 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000663575409 652504750 /nfs/dbraw/zinc/50/47/50/652504750.db2.gz MAFAACXSVSOMIC-OAHLLOKOSA-N 1 0 393.333 2.098 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663600509 652504881 /nfs/dbraw/zinc/50/48/81/652504881.db2.gz LNMWEYVDBBZQFB-UHFFFAOYSA-N 1 0 376.404 2.356 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663603775 652505595 /nfs/dbraw/zinc/50/55/95/652505595.db2.gz JJPQTLACJPGLFN-UHFFFAOYSA-N 1 0 379.766 2.293 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000584002008 652505665 /nfs/dbraw/zinc/50/56/65/652505665.db2.gz ITXKKYHJTICYCV-IUCAKERBSA-N 1 0 381.267 2.097 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000584005535 652505923 /nfs/dbraw/zinc/50/59/23/652505923.db2.gz XBKVQDBBOJPGDX-UWVGGRQHSA-N 1 0 395.294 2.358 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000584005534 652505980 /nfs/dbraw/zinc/50/59/80/652505980.db2.gz XBKVQDBBOJPGDX-NXEZZACHSA-N 1 0 395.294 2.358 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)NCc1cc(Br)ccc1F ZINC000663678945 652508367 /nfs/dbraw/zinc/50/83/67/652508367.db2.gz VBSFYGYBUQZULI-UHFFFAOYSA-N 1 0 389.313 2.271 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CCN(C(=O)OC)CC2)s1 ZINC000756896674 652508458 /nfs/dbraw/zinc/50/84/58/652508458.db2.gz PMRYVUZCYCIHRN-UHFFFAOYSA-N 1 0 389.543 2.099 20 0 GEADRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2nc(C3CC3)ncc2Br)C1 ZINC000663724700 652510436 /nfs/dbraw/zinc/51/04/36/652510436.db2.gz IFUOPBWGPHBDQF-VIFPVBQESA-N 1 0 396.318 2.206 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000584160773 652511533 /nfs/dbraw/zinc/51/15/33/652511533.db2.gz STPBJBKHROILGK-JBLDHEPKSA-N 1 0 384.249 2.031 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000584160775 652511602 /nfs/dbraw/zinc/51/16/02/652511602.db2.gz STPBJBKHROILGK-UMNHJUIQSA-N 1 0 384.249 2.031 20 0 GEADRO C[C@@H](CCNC(=O)NCc1cc(Br)c2c(c1)OCCO2)[NH+](C)C ZINC000663827558 652512383 /nfs/dbraw/zinc/51/23/83/652512383.db2.gz AFAWFIARRBXDNK-NSHDSACASA-N 1 0 386.290 2.360 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc2ccc(Br)cn21 ZINC000663852244 652513320 /nfs/dbraw/zinc/51/33/20/652513320.db2.gz QXSUDTMJSCNQCH-GFCCVEGCSA-N 1 0 380.290 2.181 20 0 GEADRO Brc1ccc2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2c1 ZINC000663880926 652514638 /nfs/dbraw/zinc/51/46/38/652514638.db2.gz ZJSAWODSDRFLIZ-ZDUSSCGKSA-N 1 0 380.290 2.040 20 0 GEADRO CCN(C(=O)NCC(=O)Nc1cc(Br)ccc1C)[C@H]1CC[N@H+](C)C1 ZINC000663885091 652515010 /nfs/dbraw/zinc/51/50/10/652515010.db2.gz BFJGDDIXQSCNIM-AWEZNQCLSA-N 1 0 397.317 2.432 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000584377835 652518909 /nfs/dbraw/zinc/51/89/09/652518909.db2.gz HUKUAWAUNJUKIL-HIFRSBDPSA-N 1 0 385.496 2.101 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNc2cccc(OC(F)(F)F)c2S(N)(=O)=O)C1 ZINC000631060914 652519408 /nfs/dbraw/zinc/51/94/08/652519408.db2.gz AHNADLHJZWMYPM-LLVKDONJSA-N 1 0 381.420 2.376 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000584398666 652519636 /nfs/dbraw/zinc/51/96/36/652519636.db2.gz JFMJNTNWUQAYSA-BETUJISGSA-N 1 0 380.286 2.154 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1C(=O)COc1cccc(I)c1 ZINC000584405241 652519806 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2.215 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)CCO1 ZINC000667147910 652593975 /nfs/dbraw/zinc/59/39/75/652593975.db2.gz MUQJKJJMPJTKIU-RYUDHWBXSA-N 1 0 380.436 2.499 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)cn1 ZINC000633354763 652593983 /nfs/dbraw/zinc/59/39/83/652593983.db2.gz HGXUPSXVHJDBDI-QGZVFWFLSA-N 1 0 385.295 2.389 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1=O ZINC000667183790 652595879 /nfs/dbraw/zinc/59/58/79/652595879.db2.gz ZDOSLOQZZSAWNV-OLZOCXBDSA-N 1 0 397.317 2.391 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000633428158 652596496 /nfs/dbraw/zinc/59/64/96/652596496.db2.gz KYKZFLLWZQZIQP-DOMZBBRYSA-N 1 0 396.333 2.341 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1I ZINC000592479980 652597039 /nfs/dbraw/zinc/59/70/39/652597039.db2.gz IMFODIKFSZLPKW-LBPRGKRZSA-N 1 0 387.265 2.304 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000592490922 652597476 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CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592553351 652600384 /nfs/dbraw/zinc/60/03/84/652600384.db2.gz JSSACWIKLBVPNA-XJKSGUPXSA-N 1 0 397.313 2.381 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(Br)cc(OC(C)C)c1 ZINC000592556080 652600434 /nfs/dbraw/zinc/60/04/34/652600434.db2.gz PZPOBAGHRZVTPE-OAHLLOKOSA-N 1 0 399.285 2.213 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000667344657 652601750 /nfs/dbraw/zinc/60/17/50/652601750.db2.gz OYUNFUJAEITNKS-MNOVXSKESA-N 1 0 375.416 2.475 20 0 GEADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000667398588 652603763 /nfs/dbraw/zinc/60/37/63/652603763.db2.gz UCQFACFEJGVYKU-FZMZJTMJSA-N 1 0 385.917 2.354 20 0 GEADRO O=C(COc1ccc(Br)cn1)NCC1CC[NH+](CC2CC2)CC1 ZINC000633655411 652605659 /nfs/dbraw/zinc/60/56/59/652605659.db2.gz CDHZIAIYXPIEFL-UHFFFAOYSA-N 1 0 382.302 2.461 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667452212 652605943 /nfs/dbraw/zinc/60/59/43/652605943.db2.gz HCWNEZNGUNTUPK-YUMQZZPRSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667458439 652606344 /nfs/dbraw/zinc/60/63/44/652606344.db2.gz IUEIHJZFZQPOKR-JGVFFNPUSA-N 1 0 392.656 2.389 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667495183 652608046 /nfs/dbraw/zinc/60/80/46/652608046.db2.gz BSFGBQDKNZPCTK-JVXZTZIISA-N 1 0 392.656 2.294 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CCc3cc(C)cc(Br)c3C2)CC1 ZINC000633732525 652609458 /nfs/dbraw/zinc/60/94/58/652609458.db2.gz IVKJCKKHQBHSQW-UHFFFAOYSA-N 1 0 380.330 2.280 20 0 GEADRO C[NH+]1CCC(CNC(=S)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000760468200 652610592 /nfs/dbraw/zinc/61/05/92/652610592.db2.gz QSWGFIZBJFFYDC-UHFFFAOYSA-N 1 0 399.358 2.194 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[NH2+]1 ZINC000667521493 652610845 /nfs/dbraw/zinc/61/08/45/652610845.db2.gz PFLHOOYAYAFWTH-CYBMUJFWSA-N 1 0 388.693 2.497 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1Br ZINC000667538810 652611168 /nfs/dbraw/zinc/61/11/68/652611168.db2.gz OBVGGIYHKNJTMC-PWSUYJOCSA-N 1 0 384.249 2.046 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667540538 652611494 /nfs/dbraw/zinc/61/14/94/652611494.db2.gz NPTZKTKXZFXCJJ-ZANVPECISA-N 1 0 386.677 2.251 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667540536 652611499 /nfs/dbraw/zinc/61/14/99/652611499.db2.gz NPTZKTKXZFXCJJ-RNCFNFMXSA-N 1 0 386.677 2.251 20 0 GEADRO C[NH+]1CCC(CNC(=S)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000760494158 652611671 /nfs/dbraw/zinc/61/16/71/652611671.db2.gz SKNODBFPQAJXDL-MRXNPFEDSA-N 1 0 380.945 2.251 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[C@@H]1[NH3+] ZINC000667544850 652612148 /nfs/dbraw/zinc/61/21/48/652612148.db2.gz HNXSTUJIYMOXDO-KCJUWKMLSA-N 1 0 390.228 2.252 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)CC[C@H]1[NH3+] ZINC000667545457 652612190 /nfs/dbraw/zinc/61/21/90/652612190.db2.gz YBOIRNPHENYVND-ZWNOBZJWSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1[C@H](C)c1cc(Cl)ccc1Cl ZINC000667557934 652613384 /nfs/dbraw/zinc/61/33/84/652613384.db2.gz NSXZVNNRDWBHQC-NXEZZACHSA-N 1 0 384.267 2.201 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000667638469 652616154 /nfs/dbraw/zinc/61/61/54/652616154.db2.gz SHZIBHUPGXXBOL-TXEJJXNPSA-N 1 0 398.276 2.293 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC000667682247 652617025 /nfs/dbraw/zinc/61/70/25/652617025.db2.gz FDKDWPKMZWNRJF-LLVKDONJSA-N 1 0 380.905 2.226 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)ccc1Br ZINC000760599181 652617440 /nfs/dbraw/zinc/61/74/40/652617440.db2.gz RIDRYUUENPJAAH-UHFFFAOYSA-N 1 0 387.299 2.192 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000667805956 652619989 /nfs/dbraw/zinc/61/99/89/652619989.db2.gz RJISMYVHSPHVKO-CYBMUJFWSA-N 1 0 393.289 2.021 20 0 GEADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@H](CO)c1cccc(Br)c1 ZINC000667799509 652620065 /nfs/dbraw/zinc/62/00/65/652620065.db2.gz WWVIJAQDPMRSCN-MRXNPFEDSA-N 1 0 391.269 2.345 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000633978744 652624096 /nfs/dbraw/zinc/62/40/96/652624096.db2.gz JPTCCMCZLCXCBX-LBPRGKRZSA-N 1 0 387.347 2.016 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCc1ccc(Br)cc1F ZINC000668043734 652627702 /nfs/dbraw/zinc/62/77/02/652627702.db2.gz GTEGUTHUTYEGAF-CHWSQXEVSA-N 1 0 387.293 2.434 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCC[N@H+](C)CC(C)C ZINC000593616805 652628236 /nfs/dbraw/zinc/62/82/36/652628236.db2.gz QLWZNZDNNINPDW-UHFFFAOYSA-N 1 0 376.906 2.383 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCC[N@H+](C)CC(C)C ZINC000593616577 652628313 /nfs/dbraw/zinc/62/83/13/652628313.db2.gz OOFNGQNSSMFDCN-UHFFFAOYSA-N 1 0 376.906 2.383 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)n1 ZINC000634037169 652629402 /nfs/dbraw/zinc/62/94/02/652629402.db2.gz MRMPUVWDXSHWFU-USXIJHARSA-N 1 0 389.297 2.275 20 0 GEADRO COc1cc(C[NH2+][C@@H](CO)CCF)cc(I)c1OC ZINC000593690176 652632072 /nfs/dbraw/zinc/63/20/72/652632072.db2.gz UFQZVIVWGPTFQN-SNVBAGLBSA-N 1 0 383.201 2.119 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(OC)c(I)n1 ZINC000761157556 652634658 /nfs/dbraw/zinc/63/46/58/652634658.db2.gz CMQLJKSXHMZFCT-JTQLQIEISA-N 1 0 391.253 2.155 20 0 GEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C2SCCS2)CC1 ZINC000761165793 652635318 /nfs/dbraw/zinc/63/53/18/652635318.db2.gz CPDZPERKXKRXNA-UHFFFAOYSA-N 1 0 381.567 2.082 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2ccc3c[nH+]cn3c2)s1 ZINC000668250054 652635324 /nfs/dbraw/zinc/63/53/24/652635324.db2.gz ZDMWIRQDYJADOB-LLVKDONJSA-N 1 0 378.479 2.071 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270729 652635739 /nfs/dbraw/zinc/63/57/39/652635739.db2.gz PEHBFGOQXPPGML-GOEBONIOSA-N 1 0 398.345 2.350 20 0 GEADRO CCc1nn(C)c(CC)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000668273368 652635988 /nfs/dbraw/zinc/63/59/88/652635988.db2.gz PKWRRVBIUUALLP-UHFFFAOYSA-N 1 0 384.571 2.359 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000594106566 652639966 /nfs/dbraw/zinc/63/99/66/652639966.db2.gz FPSFPSOZVFESAO-OAHLLOKOSA-N 1 0 387.311 2.175 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000668365391 652640404 /nfs/dbraw/zinc/64/04/04/652640404.db2.gz IQYZSYDSPGABDN-DOMZBBRYSA-N 1 0 382.302 2.227 20 0 GEADRO CCN(C(=O)C(=O)NCCc1ccc(Br)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000668459273 652643211 /nfs/dbraw/zinc/64/32/11/652643211.db2.gz DJYYXMYBCNVQMK-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCOCC2)cc1Br ZINC000634640159 652646014 /nfs/dbraw/zinc/64/60/14/652646014.db2.gz VNWBSQIMVSWFPS-OCCSQVGLSA-N 1 0 388.302 2.401 20 0 GEADRO C[N@H+](CCO)C1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645372 652646404 /nfs/dbraw/zinc/64/64/04/652646404.db2.gz MJJCZZXIAUWWIF-MRXNPFEDSA-N 1 0 377.312 2.122 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000668574733 652648894 /nfs/dbraw/zinc/64/88/94/652648894.db2.gz ZEQRHRXUOHIACW-NSHDSACASA-N 1 0 388.331 2.116 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000668628694 652653656 /nfs/dbraw/zinc/65/36/56/652653656.db2.gz CRWFBSXJQGRNOZ-VIFPVBQESA-N 1 0 377.080 2.162 20 0 GEADRO CC[C@H]1CN(C(=O)NCC(=O)Nc2ccc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000668630206 652654211 /nfs/dbraw/zinc/65/42/11/652654211.db2.gz VEELXLLNZUKGMZ-JSGCOSHPSA-N 1 0 397.317 2.465 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000634701210 652654280 /nfs/dbraw/zinc/65/42/80/652654280.db2.gz LYRPNDAGUQKTFA-WBVHZDCISA-N 1 0 385.302 2.279 20 0 GEADRO CC[C@@H]1CN(C(=O)NCC(=O)Nc2ccc(Br)cc2C)CC[C@H]1[NH3+] ZINC000668630208 652654352 /nfs/dbraw/zinc/65/43/52/652654352.db2.gz VEELXLLNZUKGMZ-TZMCWYRMSA-N 1 0 397.317 2.465 20 0 GEADRO COc1cc(C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)cc(Br)c1OC ZINC000634702800 652654472 /nfs/dbraw/zinc/65/44/72/652654472.db2.gz LOVFWLUCZWASNP-DYVFJYSZSA-N 1 0 388.302 2.468 20 0 GEADRO COc1cc(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)cc(Br)c1OC ZINC000634702799 652654657 /nfs/dbraw/zinc/65/46/57/652654657.db2.gz LOVFWLUCZWASNP-CXAGYDPISA-N 1 0 388.302 2.468 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634698110 652654809 /nfs/dbraw/zinc/65/48/09/652654809.db2.gz AORACTHBVMJHAO-RHSMWYFYSA-N 1 0 385.302 2.198 20 0 GEADRO O=C(NCC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)c1cccnc1 ZINC000634700029 652654826 /nfs/dbraw/zinc/65/48/26/652654826.db2.gz SCMHXRQLOQYMLE-HNNXBMFYSA-N 1 0 384.263 2.148 20 0 GEADRO O[C@H](C[NH2+]CCCc1ccc(Br)cc1F)CC1(O)CCOCC1 ZINC000634704755 652655499 /nfs/dbraw/zinc/65/54/99/652655499.db2.gz PAJBRTPBTMCEFG-HNNXBMFYSA-N 1 0 390.293 2.403 20 0 GEADRO C[C@@H](C[NH2+]C[C@H](O)CC1(O)CCOCC1)Oc1cccc(Br)c1 ZINC000634706349 652655911 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GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1(S(=O)(=O)c3ccc(Cl)cc3)CC1)C2 ZINC000634748475 652662093 /nfs/dbraw/zinc/66/20/93/652662093.db2.gz CKWKICPEHTXPIY-CALCHBBNSA-N 1 0 382.913 2.104 20 0 GEADRO COc1cc(Br)c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(OC)c1 ZINC000668741552 652665039 /nfs/dbraw/zinc/66/50/39/652665039.db2.gz UILARMACOFSFGB-AWEZNQCLSA-N 1 0 399.329 2.497 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)C2 ZINC000668796678 652667595 /nfs/dbraw/zinc/66/75/95/652667595.db2.gz ZDSSNPYCWRIKRR-GFCCVEGCSA-N 1 0 394.313 2.199 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000634951867 652677658 /nfs/dbraw/zinc/67/76/58/652677658.db2.gz ITSVMAPZYKFBJX-JTQLQIEISA-N 1 0 396.822 2.458 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)c1 ZINC000634984183 652680760 /nfs/dbraw/zinc/68/07/60/652680760.db2.gz KBTUEWZDXJOGSV-AWEZNQCLSA-N 1 0 379.931 2.191 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000669217072 652685271 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CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000679179209 653139408 /nfs/dbraw/zinc/13/94/08/653139408.db2.gz PYFQLASOIXGGIX-UHFFFAOYSA-N 1 0 379.869 2.101 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640801712 653140017 /nfs/dbraw/zinc/14/00/17/653140017.db2.gz XNVXLVKBHKDBFD-NEPJUHHUSA-N 1 0 378.274 2.392 20 0 GEADRO Brc1cc2c(cc1Cn1cc(C[C@H]3CCC[NH2+]C3)nn1)OCO2 ZINC000640852439 653142419 /nfs/dbraw/zinc/14/24/19/653142419.db2.gz GRQMORWOPHPRRT-LLVKDONJSA-N 1 0 379.258 2.360 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640880422 653143649 /nfs/dbraw/zinc/14/36/49/653143649.db2.gz JZVWPRXLAFJQFS-ONERCXAPSA-N 1 0 394.273 2.419 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)n2cc(COCC[NH3+])nn2)c(Br)c1 ZINC000640888393 653144097 /nfs/dbraw/zinc/14/40/97/653144097.db2.gz RIFOQJQOTGVVNC-LLVKDONJSA-N 1 0 382.262 2.024 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)n1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640900713 653145137 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O=C1[C@@H](n2cc(C[C@H]3CC[NH2+]C3)nn2)CCN1c1cccc(Br)c1 ZINC000641106057 653157289 /nfs/dbraw/zinc/15/72/89/653157289.db2.gz ZQRZQIHQUNSSOZ-WBMJQRKESA-N 1 0 390.285 2.171 20 0 GEADRO Brc1cc2c(cc1Cn1cc(C[C@@H]3CC[NH2+]C3)nn1)OCCCO2 ZINC000641121615 653159275 /nfs/dbraw/zinc/15/92/75/653159275.db2.gz WVNQBAMIXKWDHO-LBPRGKRZSA-N 1 0 393.285 2.402 20 0 GEADRO C[NH+]1CCN(Cc2cn(Cc3cc(Br)cc(F)c3F)nn2)CC1 ZINC000641119329 653159388 /nfs/dbraw/zinc/15/93/88/653159388.db2.gz MKBTTXDBXVEICI-UHFFFAOYSA-N 1 0 386.244 2.115 20 0 GEADRO Cc1cc(Br)ccc1Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641138593 653161760 /nfs/dbraw/zinc/16/17/60/653161760.db2.gz QLRDBGVXUWITSS-UHFFFAOYSA-N 1 0 378.318 2.363 20 0 GEADRO CC(C)Cn1ncnc1Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641156554 653162941 /nfs/dbraw/zinc/16/29/41/653162941.db2.gz AGECJDKKIKSBPQ-MRXNPFEDSA-N 1 0 390.289 2.385 20 0 GEADRO Cn1cc(I)c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000602264196 653163377 /nfs/dbraw/zinc/16/33/77/653163377.db2.gz 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ZINC000641229044 653171775 /nfs/dbraw/zinc/17/17/75/653171775.db2.gz PHPGDQIBYGYHOC-IUODEOHRSA-N 1 0 387.253 2.275 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000772945641 653172990 /nfs/dbraw/zinc/17/29/90/653172990.db2.gz IIBYQHYXHWPFBR-ZIAGYGMSSA-N 1 0 383.539 2.040 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000602345664 653173120 /nfs/dbraw/zinc/17/31/20/653173120.db2.gz JFHIAQZZOFBNLC-JKSUJKDBSA-N 1 0 379.302 2.128 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)ccc1Br ZINC000772948139 653173441 /nfs/dbraw/zinc/17/34/41/653173441.db2.gz ZJGCKVYBDWPXMU-LLVKDONJSA-N 1 0 383.290 2.082 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)N1CCOCC1 ZINC000772948292 653173512 /nfs/dbraw/zinc/17/35/12/653173512.db2.gz VZSASMRLKDBNQQ-CQSZACIVSA-N 1 0 379.309 2.232 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000680934007 653174369 /nfs/dbraw/zinc/17/43/69/653174369.db2.gz IRVNJYMKAZXWJU-DLBZAZTESA-N 1 0 381.314 2.415 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)N(C)c2ncc(I)cn2)CC1 ZINC000602355046 653174617 /nfs/dbraw/zinc/17/46/17/653174617.db2.gz VRBLPYISJUIASG-UHFFFAOYSA-N 1 0 388.253 2.164 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000772964610 653174602 /nfs/dbraw/zinc/17/46/02/653174602.db2.gz OOEIKUXVEOLITC-CYBMUJFWSA-N 1 0 377.304 2.192 20 0 GEADRO COc1cc(CS(=O)(=O)NC[C@@H](C)N2CCc3sccc3C2)sn1 ZINC000641272231 653176047 /nfs/dbraw/zinc/17/60/47/653176047.db2.gz PWXVDCFQFURFIS-LLVKDONJSA-N 1 0 387.552 2.079 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1nccn2c(Br)cnc12 ZINC000769785067 653176896 /nfs/dbraw/zinc/17/68/96/653176896.db2.gz UZLCHZURQMOLNT-RYUDHWBXSA-N 1 0 380.290 2.485 20 0 GEADRO C[S@](=O)C1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CC[NH2+]CC1 ZINC000602443846 653181693 /nfs/dbraw/zinc/18/16/93/653181693.db2.gz XJEBTHCJBKJYOD-VWLOTQADSA-N 1 0 381.498 2.312 20 0 GEADRO COCCSc1ccc([C@H](C)NC(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1 ZINC000602452234 653182172 /nfs/dbraw/zinc/18/21/72/653182172.db2.gz SPTQNJJFLAUNJT-SXBQZSJRSA-N 1 0 384.567 2.103 20 0 GEADRO C[S@](=O)C1(C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000602448568 653182232 /nfs/dbraw/zinc/18/22/32/653182232.db2.gz MIZIPPDWXIKQIL-DEOSSOPVSA-N 1 0 393.336 2.379 20 0 GEADRO C[S@@](=O)C1(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CC[NH2+]CC1 ZINC000602457153 653182763 /nfs/dbraw/zinc/18/27/63/653182763.db2.gz ZXJFOAIOTRCMEP-HSZRJFAPSA-N 1 0 375.321 2.379 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CC[NH2+]CC1 ZINC000602458607 653183130 /nfs/dbraw/zinc/18/31/30/653183130.db2.gz NCRJTCOFPLZGCS-RPBOFIJWSA-N 1 0 384.567 2.173 20 0 GEADRO CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000641317177 653185587 /nfs/dbraw/zinc/18/55/87/653185587.db2.gz ASYJIBMZAZHBBC-LSDHHAIUSA-N 1 0 385.917 2.327 20 0 GEADRO COc1cc(CS(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)sn1 ZINC000641321963 653186382 /nfs/dbraw/zinc/18/63/82/653186382.db2.gz ZJLBTIFOUPZCGS-UHFFFAOYSA-N 1 0 383.539 2.354 20 0 GEADRO C[C@@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000602507013 653186737 /nfs/dbraw/zinc/18/67/37/653186737.db2.gz NDJQKPBPTIHJPR-VDBVYFBLSA-N 1 0 376.444 2.426 20 0 GEADRO C[S@](=O)C1(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CC[NH2+]CC1 ZINC000602501600 653186854 /nfs/dbraw/zinc/18/68/54/653186854.db2.gz AWONFOPKXWHRKK-QHCPKHFHSA-N 1 0 375.321 2.379 20 0 GEADRO C[C@H]1COCC[C@H]1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000641328791 653187590 /nfs/dbraw/zinc/18/75/90/653187590.db2.gz JXDROIOKPBZJMQ-JKSUJKDBSA-N 1 0 376.588 2.083 20 0 GEADRO [NH3+]CC1(NC(=O)c2ccc(I)c(Cl)c2)CCOCC1 ZINC000602546210 653190253 /nfs/dbraw/zinc/19/02/53/653190253.db2.gz HNAVIIVQHQVBNV-UHFFFAOYSA-N 1 0 394.640 2.182 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)nc1Br ZINC000807354162 653190695 /nfs/dbraw/zinc/19/06/95/653190695.db2.gz GMICRQBIQFXRDA-OLZOCXBDSA-N 1 0 395.301 2.176 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000602548018 653190785 /nfs/dbraw/zinc/19/07/85/653190785.db2.gz VWBRHPBSBIUPKS-ZDUSSCGKSA-N 1 0 381.270 2.498 20 0 GEADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000681741956 653190972 /nfs/dbraw/zinc/19/09/72/653190972.db2.gz UYTDZVMJCDAADL-RCBQFDQVSA-N 1 0 379.444 2.324 20 0 GEADRO [NH3+]CCCOCCNC(=O)c1ccc(I)cc1Cl ZINC000602558763 653191089 /nfs/dbraw/zinc/19/10/89/653191089.db2.gz UWRNBWLUBWPGNC-UHFFFAOYSA-N 1 0 382.629 2.040 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000602564010 653191292 /nfs/dbraw/zinc/19/12/92/653191292.db2.gz KJSWERIFAXZHRX-NWDGAFQWSA-N 1 0 387.299 2.383 20 0 GEADRO COc1cc(CS(=O)(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)sn1 ZINC000641361206 653192629 /nfs/dbraw/zinc/19/26/29/653192629.db2.gz ZVBTUOPGSPHOEI-HNNXBMFYSA-N 1 0 381.523 2.188 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc(Br)cc1C ZINC000807394390 653192625 /nfs/dbraw/zinc/19/26/25/653192625.db2.gz LXYCLJPNCYMOCK-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000807454230 653195502 /nfs/dbraw/zinc/19/55/02/653195502.db2.gz TXVHRSZGDREGQK-GXTWGEPZSA-N 1 0 395.301 2.176 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)on1 ZINC000602635962 653196467 /nfs/dbraw/zinc/19/64/67/653196467.db2.gz GEBKAAKJQHPFLH-LBPRGKRZSA-N 1 0 383.242 2.165 20 0 GEADRO OCCCN1CCC[C@H]([NH2+]Cc2ccc(I)s2)C1 ZINC000602676371 653199967 /nfs/dbraw/zinc/19/99/67/653199967.db2.gz ZFBXEGGMPLOXQB-NSHDSACASA-N 1 0 380.295 2.289 20 0 GEADRO CC[C@](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)(C(=O)OC)c1ccccc1 ZINC000602696461 653201204 /nfs/dbraw/zinc/20/12/04/653201204.db2.gz QQUPPPMLNCRFSI-QGZVFWFLSA-N 1 0 382.507 2.006 20 0 GEADRO C[NH+](C)CCOc1ccccc1C(=O)NCc1cnc(Br)cn1 ZINC000773503861 653202342 /nfs/dbraw/zinc/20/23/42/653202342.db2.gz OYKXTXMTVIVROY-UHFFFAOYSA-N 1 0 379.258 2.110 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1sc(N2CCCC2)nc1Cl ZINC000770173518 653202463 /nfs/dbraw/zinc/20/24/63/653202463.db2.gz NUNWHJJRONBIRI-CYBMUJFWSA-N 1 0 385.965 2.153 20 0 GEADRO C[C@H]([NH3+])CNC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000641423685 653203804 /nfs/dbraw/zinc/20/38/04/653203804.db2.gz FCIBZZLMHUQAKF-NSHDSACASA-N 1 0 388.281 2.326 20 0 GEADRO CCOC(=O)[C@@]1(C[NH2+]Cc2ncc(Br)cc2F)CCCOC1 ZINC000602744229 653204001 /nfs/dbraw/zinc/20/40/01/653204001.db2.gz ZXAVADUCJNRPNQ-OAHLLOKOSA-N 1 0 375.238 2.433 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000773532457 653204528 /nfs/dbraw/zinc/20/45/28/653204528.db2.gz UFQKIIKREHHPON-YWPYICTPSA-N 1 0 380.432 2.232 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682035032 653205045 /nfs/dbraw/zinc/20/50/45/653205045.db2.gz DPXLLHDSFIMJLH-ZDUSSCGKSA-N 1 0 384.318 2.165 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)c2nn(C)cc2I)CC1 ZINC000602814704 653208056 /nfs/dbraw/zinc/20/80/56/653208056.db2.gz NIGMERDMGLHUFS-UHFFFAOYSA-N 1 0 390.269 2.019 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000682354328 653208277 /nfs/dbraw/zinc/20/82/77/653208277.db2.gz FDFCMTURGVMKEG-HNNXBMFYSA-N 1 0 394.313 2.327 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2cccn3c(I)cnc23)CC1(C)C ZINC000808005339 653214393 /nfs/dbraw/zinc/21/43/93/653214393.db2.gz CVZRXAOKHMACEY-UHFFFAOYSA-N 1 0 398.248 2.105 20 0 GEADRO COc1cccc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c1 ZINC000602958677 653218038 /nfs/dbraw/zinc/21/80/38/653218038.db2.gz FIQGOQMWEDRUGI-UHFFFAOYSA-N 1 0 380.432 2.484 20 0 GEADRO COc1ncc(Br)c(NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000641537718 653219516 /nfs/dbraw/zinc/21/95/16/653219516.db2.gz HFHLKQLXLFXONV-UHFFFAOYSA-N 1 0 378.274 2.719 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000808191582 653221810 /nfs/dbraw/zinc/22/18/10/653221810.db2.gz OFOWRYWXLVVOME-DOMZBBRYSA-N 1 0 392.297 2.495 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000774072337 653222851 /nfs/dbraw/zinc/22/28/51/653222851.db2.gz NHFSLIGIMYDILH-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000808222416 653222804 /nfs/dbraw/zinc/22/28/04/653222804.db2.gz GHUAQUQSDHSLDP-MLGOLLRUSA-N 1 0 386.279 2.059 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808220223 653222956 /nfs/dbraw/zinc/22/29/56/653222956.db2.gz ASWXPVZZYXBWDP-SNVBAGLBSA-N 1 0 377.304 2.014 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)s1 ZINC000641624849 653224733 /nfs/dbraw/zinc/22/47/33/653224733.db2.gz OULDVEDBGKQDIU-CZUORRHYSA-N 1 0 387.571 2.125 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000774224706 653229735 /nfs/dbraw/zinc/22/97/35/653229735.db2.gz XTCVSAFBRKQALT-CHWSQXEVSA-N 1 0 397.317 2.470 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000774249461 653230955 /nfs/dbraw/zinc/23/09/55/653230955.db2.gz DANMOPIKZWMMIA-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000641697664 653231316 /nfs/dbraw/zinc/23/13/16/653231316.db2.gz JOHANDBTYBSLKX-UHFFFAOYSA-N 1 0 382.452 2.326 20 0 GEADRO Cc1nc(C)c(Br)c(N[C@@H]2CCCN(CCN3CCOCC3)C2)n1 ZINC000641717631 653232132 /nfs/dbraw/zinc/23/21/32/653232132.db2.gz DQFNUAVXWZWSII-OAHLLOKOSA-N 1 0 398.349 2.064 20 0 GEADRO C[N@H+](CCO)Cc1cc(NCc2ccc(S(N)(=O)=O)s2)ccc1Cl ZINC000641752842 653232925 /nfs/dbraw/zinc/23/29/25/653232925.db2.gz QHOZBKUAWXCXNY-UHFFFAOYSA-N 1 0 389.930 2.085 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnc(Br)cc2C)C[C@H]1C ZINC000774314310 653234192 /nfs/dbraw/zinc/23/41/92/653234192.db2.gz UEOICMCANZACQI-CHWSQXEVSA-N 1 0 397.317 2.422 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000641820357 653234656 /nfs/dbraw/zinc/23/46/56/653234656.db2.gz AKAHTCTXVFZAFA-UHFFFAOYSA-N 1 0 384.933 2.075 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000641822550 653234933 /nfs/dbraw/zinc/23/49/33/653234933.db2.gz SCFWALYCRRTJLC-UHFFFAOYSA-N 1 0 386.290 2.418 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641860261 653235582 /nfs/dbraw/zinc/23/55/82/653235582.db2.gz ZZZVHSBZBMXXPJ-BAABZTOOSA-N 1 0 381.318 2.352 20 0 GEADRO COc1ccc(OC)c([C@@H](O)C[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000808802234 653235599 /nfs/dbraw/zinc/23/55/99/653235599.db2.gz KKDRWLIDEHRJQU-HNNXBMFYSA-N 1 0 384.274 2.328 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000642000309 653236607 /nfs/dbraw/zinc/23/66/07/653236607.db2.gz GRMMXNDIVLCLGP-CJNGLKHVSA-N 1 0 394.313 2.403 20 0 GEADRO COC1(CO)CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000683677375 653237744 /nfs/dbraw/zinc/23/77/44/653237744.db2.gz SRUGCAGDPUIJOO-UHFFFAOYSA-N 1 0 375.296 2.425 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642327436 653242119 /nfs/dbraw/zinc/24/21/19/653242119.db2.gz AEMWMJYABQLGTI-BBRMVZONSA-N 1 0 396.329 2.145 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642327019 653242209 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O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)ncc1Br ZINC000810539235 653344529 /nfs/dbraw/zinc/34/45/29/653344529.db2.gz NVAPUWRLMIVGJE-LLVKDONJSA-N 1 0 388.693 2.481 20 0 GEADRO O=C(NC[C@H](O)c1ccccc1Br)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000836346691 653346233 /nfs/dbraw/zinc/34/62/33/653346233.db2.gz WDVSAQQXFYSBBH-WBMJQRKESA-N 1 0 382.302 2.266 20 0 GEADRO Cn1cc(CNCCC[NH+]2CCN(c3ccccc3)CC2)c(Br)n1 ZINC000858092676 653347928 /nfs/dbraw/zinc/34/79/28/653347928.db2.gz YYDIPHYCNWWVQN-UHFFFAOYSA-N 1 0 392.345 2.485 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)NCc1ncc(Cl)s1)[NH+]1CCCCCC1 ZINC000875030544 653348233 /nfs/dbraw/zinc/34/82/33/653348233.db2.gz YWJXXJWUYSESQP-CYBMUJFWSA-N 1 0 386.949 2.430 20 0 GEADRO Cc1cc(C[NH2+]CCCN2CCCS2(=O)=O)c(Br)cc1F ZINC000858126834 653349452 /nfs/dbraw/zinc/34/94/52/653349452.db2.gz LCKOEKICRLWNCB-UHFFFAOYSA-N 1 0 379.295 2.412 20 0 GEADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cn(C)nc2Br)cc1OC ZINC000858165300 653352164 /nfs/dbraw/zinc/35/21/64/653352164.db2.gz 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CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccnc(Br)c2)CC1 ZINC000836697114 653371167 /nfs/dbraw/zinc/37/11/67/653371167.db2.gz FSFNGKGZKGWJEG-UHFFFAOYSA-N 1 0 384.322 2.382 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000858619928 653371165 /nfs/dbraw/zinc/37/11/65/653371165.db2.gz RNTUEDBYTYFBAR-AWEZNQCLSA-N 1 0 381.885 2.460 20 0 GEADRO O=C(Nc1nc(CC(F)(F)F)cs1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000836703092 653371573 /nfs/dbraw/zinc/37/15/73/653371573.db2.gz AIUVKOAAHHPDMI-RYUDHWBXSA-N 1 0 378.420 2.311 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC[C@H]1C(F)(F)F ZINC000858623268 653371609 /nfs/dbraw/zinc/37/16/09/653371609.db2.gz HCVKXYFQPZBHEO-PSASIEDQSA-N 1 0 391.337 2.248 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[C@@H]1C(F)(F)F ZINC000858624979 653371976 /nfs/dbraw/zinc/37/19/76/653371976.db2.gz ZLYGDQXDQWSCNX-UWVGGRQHSA-N 1 0 396.822 2.136 20 0 GEADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000858640735 653372840 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[NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000877031512 653461932 /nfs/dbraw/zinc/46/19/32/653461932.db2.gz WOGMAUWVIHVZFH-WHOFXGATSA-N 1 0 380.286 2.188 20 0 GEADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031133 653462123 /nfs/dbraw/zinc/46/21/23/653462123.db2.gz QVXHBGAWSGNEFW-UIQPQZRXSA-N 1 0 392.297 2.226 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)c1ccc(OC(F)(F)F)cc1Br ZINC000877038359 653462577 /nfs/dbraw/zinc/46/25/77/653462577.db2.gz NKVBCEPCEOEGEV-QMMMGPOBSA-N 1 0 383.164 2.066 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C[NH2+]1 ZINC000877049803 653463116 /nfs/dbraw/zinc/46/31/16/653463116.db2.gz FDWSWCMTAKLWIP-NEPJUHHUSA-N 1 0 378.523 2.185 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000877058068 653463799 /nfs/dbraw/zinc/46/37/99/653463799.db2.gz ULBWJVQOIOZVHN-ZDUSSCGKSA-N 1 0 378.897 2.353 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@H](O)c1c(F)cccc1Cl ZINC000877068800 653464498 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GEADRO COc1ccc(C(=O)N2C3CCC2(C[NH3+])CC3)c(I)c1 ZINC000877188934 653471328 /nfs/dbraw/zinc/47/13/28/653471328.db2.gz IPENFYFZGIBEQO-UHFFFAOYSA-N 1 0 386.233 2.396 20 0 GEADRO O=C(OCCn1cnc(Br)n1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000813209182 653472350 /nfs/dbraw/zinc/47/23/50/653472350.db2.gz TYQUIZJLXPPPPI-UHFFFAOYSA-N 1 0 379.258 2.493 20 0 GEADRO COc1ccc([C@@H]2CN(C(=O)c3ccc(Br)cn3)C[C@H]2[NH3+])cc1 ZINC000877237282 653472642 /nfs/dbraw/zinc/47/26/42/653472642.db2.gz QPKBLVGPWUCKJP-LSDHHAIUSA-N 1 0 376.254 2.420 20 0 GEADRO COCCC1(NC(=O)Cc2csc(CCC(F)(F)F)n2)CC[NH2+]CC1 ZINC000877268620 653474175 /nfs/dbraw/zinc/47/41/75/653474175.db2.gz MNLKSDLXHWDPTM-UHFFFAOYSA-N 1 0 379.448 2.455 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283473 653474578 /nfs/dbraw/zinc/47/45/78/653474578.db2.gz PWTMKRNPSLCHNQ-CHWSQXEVSA-N 1 0 376.507 2.352 20 0 GEADRO O=C(COc1ccc(I)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877289507 653474973 /nfs/dbraw/zinc/47/49/73/653474973.db2.gz SNZMOKUQHOQEQL-ZIAGYGMSSA-N 1 0 386.233 2.023 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)NCC2(c3ccc(Br)cc3)CC2)nn1 ZINC000877306778 653475623 /nfs/dbraw/zinc/47/56/23/653475623.db2.gz ZKSINYLAGHKZDK-UHFFFAOYSA-N 1 0 392.301 2.241 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c1I ZINC000877292846 653475692 /nfs/dbraw/zinc/47/56/92/653475692.db2.gz DZIASGADMLYQJE-MGCOHNPYSA-N 1 0 376.242 2.068 20 0 GEADRO CC1([C@@H]2CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)OCCO1 ZINC000877315797 653476222 /nfs/dbraw/zinc/47/62/22/653476222.db2.gz BDMLGKOYYDYSBT-CYBMUJFWSA-N 1 0 381.274 2.467 20 0 GEADRO COc1ccc(Br)cc1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332676 653476562 /nfs/dbraw/zinc/47/65/62/653476562.db2.gz GDMUNTMLOSBNGI-CYBMUJFWSA-N 1 0 383.286 2.346 20 0 GEADRO O=C(CCOc1ccccc1Br)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877334963 653477085 /nfs/dbraw/zinc/47/70/85/653477085.db2.gz DOQWZTWYUSYQPT-AWEZNQCLSA-N 1 0 397.313 2.493 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)ccc1Cl ZINC000877346453 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CN(CCCCCC[NH3+])C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000877441070 653517150 /nfs/dbraw/zinc/51/71/50/653517150.db2.gz VKIKNPNXLUBALT-UHFFFAOYSA-N 1 0 391.331 2.200 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1Br ZINC000877508336 653608651 /nfs/dbraw/zinc/60/86/51/653608651.db2.gz XCOGCDCIRWYCIC-IUODEOHRSA-N 1 0 388.302 2.483 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1Br ZINC000877533773 653611013 /nfs/dbraw/zinc/61/10/13/653611013.db2.gz SCTKXPAGTMTSBU-LBPRGKRZSA-N 1 0 390.299 2.150 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCS(=O)(=O)C(C)C)cc1Br ZINC000877536194 653611318 /nfs/dbraw/zinc/61/13/18/653611318.db2.gz KUADHOPXJFFWIL-UHFFFAOYSA-N 1 0 378.288 2.149 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1Br ZINC000877533772 653611350 /nfs/dbraw/zinc/61/13/50/653611350.db2.gz SCTKXPAGTMTSBU-GFCCVEGCSA-N 1 0 390.299 2.150 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2nc(Br)cs2)C1 ZINC000779803649 653611383 /nfs/dbraw/zinc/61/13/83/653611383.db2.gz 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C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)CC1CCS(=O)(=O)CC1 ZINC000877664121 653616201 /nfs/dbraw/zinc/61/62/01/653616201.db2.gz LOAYXRUFGFSKHU-OAHLLOKOSA-N 1 0 396.336 2.490 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000877727829 653617930 /nfs/dbraw/zinc/61/79/30/653617930.db2.gz ZPXSWLPQWQVRAE-MEBBXXQBSA-N 1 0 385.251 2.242 20 0 GEADRO CC(C)[NH+]1CCN(CCCOC(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000838303044 653618499 /nfs/dbraw/zinc/61/84/99/653618499.db2.gz GSLVHQDXDCZGPR-UHFFFAOYSA-N 1 0 399.333 2.165 20 0 GEADRO O=C(NCCc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000838303997 653618681 /nfs/dbraw/zinc/61/86/81/653618681.db2.gz YRUMTMOGQDVMDA-HZPDHXFCSA-N 1 0 382.302 2.154 20 0 GEADRO COC[C@@H]([NH2+]C1CCN(CC(=O)OC)CC1)c1cccc(Br)c1 ZINC000877760509 653618823 /nfs/dbraw/zinc/61/88/23/653618823.db2.gz SRFXNLNZVLIRHV-MRXNPFEDSA-N 1 0 385.302 2.364 20 0 GEADRO CO[C@H](C[NH2+]Cc1c(I)cnn1C)Cc1ccccc1 ZINC000877776713 653619372 /nfs/dbraw/zinc/61/93/72/653619372.db2.gz WDKGZFSPFMXANB-ZDUSSCGKSA-N 1 0 385.249 2.372 20 0 GEADRO O=C(NCc1ccc(Br)cc1F)NC[C@@H]1CCC[N@H+]1CCCO ZINC000838443810 653621834 /nfs/dbraw/zinc/62/18/34/653621834.db2.gz AOHXALVQIMEUGK-AWEZNQCLSA-N 1 0 388.281 2.234 20 0 GEADRO OCC1(C[C@H](O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)CCCC1 ZINC000877930434 653623834 /nfs/dbraw/zinc/62/38/34/653623834.db2.gz HRGDJDTWMCULHX-INIZCTEOSA-N 1 0 398.345 2.270 20 0 GEADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)NC1CC[NH+](C)CC1 ZINC000877947136 653624231 /nfs/dbraw/zinc/62/42/31/653624231.db2.gz JZKGWTRVZQNPTH-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C[C@@H](O)c2cc(Br)no2)C[C@H](C)O1 ZINC000877998351 653625789 /nfs/dbraw/zinc/62/57/89/653625789.db2.gz QQWWBIFICGGKKP-RFQIPJPRSA-N 1 0 388.306 2.044 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(Cn3nc(C(F)(F)F)sc3=S)CC2)C1 ZINC000780440212 653625894 /nfs/dbraw/zinc/62/58/94/653625894.db2.gz SMVAOZSINWQUCI-LLVKDONJSA-N 1 0 381.493 2.362 20 0 GEADRO 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20 0 GEADRO CCOP(=O)(OCC)[C@H](O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000879013148 653654996 /nfs/dbraw/zinc/65/49/96/653654996.db2.gz HNDOJMNXLKABHQ-HOTGVXAUSA-N 1 0 378.450 2.146 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CCC(=O)Nc2cccc(Br)c2)CCCOC1 ZINC000839560895 653655259 /nfs/dbraw/zinc/65/52/59/653655259.db2.gz QKWBRDDAADTHRF-KRWDZBQOSA-N 1 0 399.285 2.480 20 0 GEADRO NC(=O)[C@H](F)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000879049501 653656750 /nfs/dbraw/zinc/65/67/50/653656750.db2.gz FSLUBSTXEJBJLA-SMDDNHRTSA-N 1 0 379.259 2.269 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)C(=O)c2ccc(Br)s2)CC1 ZINC000839630063 653658533 /nfs/dbraw/zinc/65/85/33/653658533.db2.gz PTJFVTHBUYZULJ-UHFFFAOYSA-N 1 0 389.315 2.310 20 0 GEADRO CC(C)c1ncsc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861513645 653660513 /nfs/dbraw/zinc/66/05/13/653660513.db2.gz KTUQRERMZULQNN-UWVGGRQHSA-N 1 0 378.420 2.191 20 0 GEADRO CC[C@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000861550677 653661536 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GEADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cccnc1I ZINC000839788340 653664176 /nfs/dbraw/zinc/66/41/76/653664176.db2.gz AWMZVZBPUUUCHA-UHFFFAOYSA-N 1 0 385.249 2.433 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(OC(F)F)c(Br)c1 ZINC000879276264 653664391 /nfs/dbraw/zinc/66/43/91/653664391.db2.gz ACGDYKVJUVQXSO-CQSZACIVSA-N 1 0 381.217 2.093 20 0 GEADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1ccccc1Br ZINC000839794081 653664652 /nfs/dbraw/zinc/66/46/52/653664652.db2.gz ZJULDBNZLXRXBA-IRXDYDNUSA-N 1 0 399.329 2.392 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000839797087 653664738 /nfs/dbraw/zinc/66/47/38/653664738.db2.gz KEWGBYMLMCMQJJ-CHWSQXEVSA-N 1 0 377.432 2.095 20 0 GEADRO Cc1ccc(/C=C\C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(Br)c1 ZINC000861710787 653665185 /nfs/dbraw/zinc/66/51/85/653665185.db2.gz REKYPJRAMGQKTK-UDLYIEAKSA-N 1 0 379.298 2.438 20 0 GEADRO O=C(CCSc1nc2ccccc2s1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861711134 653665203 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C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)C[C@H]21 ZINC000861912988 653670810 /nfs/dbraw/zinc/67/08/10/653670810.db2.gz VZFLORNWLVWVQX-FICVDOATSA-N 1 0 375.270 2.267 20 0 GEADRO CC(C)([NH2+]CN1CC2(CCOCC2)[C@H](O)C1=O)c1ccc(Br)cc1 ZINC000839978656 653670945 /nfs/dbraw/zinc/67/09/45/653670945.db2.gz GKUAOFSQJOWMGJ-OAHLLOKOSA-N 1 0 397.313 2.231 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000861953190 653671814 /nfs/dbraw/zinc/67/18/14/653671814.db2.gz QGZKMIQOBAWYKW-GFCCVEGCSA-N 1 0 393.285 2.371 20 0 GEADRO O=C(c1nc(Br)ccc1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861987000 653672681 /nfs/dbraw/zinc/67/26/81/653672681.db2.gz SFPOHUVSDPTKCR-UHFFFAOYSA-N 1 0 386.265 2.310 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000861994778 653672930 /nfs/dbraw/zinc/67/29/30/653672930.db2.gz HGYPQQGBMWNWEF-ZDUSSCGKSA-N 1 0 395.301 2.306 20 0 GEADRO CNC(=O)[C@@]1(C)CC[N@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000840063061 653673189 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Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cnc1Br ZINC000783319115 653677368 /nfs/dbraw/zinc/67/73/68/653677368.db2.gz OHIIEZYOGNCJEF-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO COC[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000879662370 653677839 /nfs/dbraw/zinc/67/78/39/653677839.db2.gz YBIGXYUBZFHHCD-ULQDDVLXSA-N 1 0 388.302 2.283 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@H](COC)c1cccc(Br)c1 ZINC000879662644 653677867 /nfs/dbraw/zinc/67/78/67/653677867.db2.gz GRWZFMBVUIGBPK-CQSZACIVSA-N 1 0 379.320 2.056 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[N@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000840173614 653678232 /nfs/dbraw/zinc/67/82/32/653678232.db2.gz DEKMHOIGPHWAPY-ZBFHGGJFSA-N 1 0 394.313 2.133 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000840222113 653680564 /nfs/dbraw/zinc/68/05/64/653680564.db2.gz XWIRBXXFAVTVEF-LLVKDONJSA-N 1 0 380.919 2.097 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CCCc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000783590948 653680852 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Cc1cc(Br)cc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1 ZINC000862483322 653687512 /nfs/dbraw/zinc/68/75/12/653687512.db2.gz KEGIEKOMRZECKZ-UHFFFAOYSA-N 1 0 378.274 2.285 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1 ZINC000879926192 653687809 /nfs/dbraw/zinc/68/78/09/653687809.db2.gz NSJSBUFDNAZQGK-VIFPVBQESA-N 1 0 383.802 2.066 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)C1=O ZINC000816609911 653688642 /nfs/dbraw/zinc/68/86/42/653688642.db2.gz RBBGTXWEYVUMRC-CQSZACIVSA-N 1 0 385.295 2.001 20 0 GEADRO C[C@H](CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)C[NH+](C)C ZINC000816720227 653691633 /nfs/dbraw/zinc/69/16/33/653691633.db2.gz AGOBPABXEGWUEK-GFCCVEGCSA-N 1 0 380.539 2.242 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000862648690 653691742 /nfs/dbraw/zinc/69/17/42/653691742.db2.gz CDFUODKKGIVRTA-RXNFCKPNSA-N 1 0 375.416 2.236 20 0 GEADRO Cc1sc(Cl)nc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000816744869 653692519 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383.290 2.080 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000841205194 653710399 /nfs/dbraw/zinc/71/03/99/653710399.db2.gz APKZBZGRGSWCCV-JQWIXIFHSA-N 1 0 391.269 2.132 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2s1 ZINC000841210042 653710626 /nfs/dbraw/zinc/71/06/26/653710626.db2.gz CGVOGRNKSCGEJC-KRWDZBQOSA-N 1 0 378.523 2.463 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cnc1Br ZINC000841225262 653710973 /nfs/dbraw/zinc/71/09/73/653710973.db2.gz LBIXMYAZYBHFRF-UHFFFAOYSA-N 1 0 395.301 2.083 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cs1)C(N)=O ZINC000880662950 653711037 /nfs/dbraw/zinc/71/10/37/653711037.db2.gz LUAPPKRVGOUSBJ-DGCLKSJQSA-N 1 0 384.571 2.031 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc3ccccc3nc2Br)CC[NH2+]1 ZINC000841228473 653711325 /nfs/dbraw/zinc/71/13/25/653711325.db2.gz DVXKYEQVGVQNTE-PWSUYJOCSA-N 1 0 391.269 2.193 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000841235402 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COC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000863570407 653715783 /nfs/dbraw/zinc/71/57/83/653715783.db2.gz GNRKLMKJMKJPKJ-ZIAGYGMSSA-N 1 0 388.233 2.179 20 0 GEADRO CN1CCOC[C@@H]1C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000863580090 653716411 /nfs/dbraw/zinc/71/64/11/653716411.db2.gz YSYLXXKDOSMVPC-WFASDCNBSA-N 1 0 377.710 2.230 20 0 GEADRO COc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(Br)c1OC ZINC000786016410 653717669 /nfs/dbraw/zinc/71/76/69/653717669.db2.gz FPZWULJRCGSOKI-STQMWFEESA-N 1 0 399.285 2.059 20 0 GEADRO CCN(CC[NH3+])Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000863644185 653717948 /nfs/dbraw/zinc/71/79/48/653717948.db2.gz MNACIEHLUBFZSS-UHFFFAOYSA-N 1 0 395.388 2.366 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000841456478 653718049 /nfs/dbraw/zinc/71/80/49/653718049.db2.gz HOODURDDJRMMNC-WDEREUQCSA-N 1 0 379.810 2.210 20 0 GEADRO C[C@@H]([NH3+])c1cn([C@@H](C)C(=O)Nc2ccc(I)cc2)nn1 ZINC000881148176 653721586 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COC[C@]1(CNC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000841993393 653743262 /nfs/dbraw/zinc/74/32/62/653743262.db2.gz JVOZKBXKUREQDF-DOTOQJQBSA-N 1 0 390.311 2.485 20 0 GEADRO COC[C@]1(CNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000841998872 653743511 /nfs/dbraw/zinc/74/35/11/653743511.db2.gz VDSYDMNPIKMWGJ-XJKSGUPXSA-N 1 0 376.284 2.095 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000842014762 653743823 /nfs/dbraw/zinc/74/38/23/653743823.db2.gz VWNLCXAIIWUXPX-XOUADPBQSA-N 1 0 382.302 2.170 20 0 GEADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)CC[C@H]3CC3(Cl)Cl)CC2)c1 ZINC000881862142 653744126 /nfs/dbraw/zinc/74/41/26/653744126.db2.gz KBGVHIXBONTZDQ-LBPRGKRZSA-N 1 0 394.324 2.126 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819133716 653744193 /nfs/dbraw/zinc/74/41/93/653744193.db2.gz QIIDWPOSIRXWMJ-CYBMUJFWSA-N 1 0 380.279 2.036 20 0 GEADRO CON(C)C(=O)[C@H](CCSC)[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000819170798 653745006 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CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000842716367 653764356 /nfs/dbraw/zinc/76/43/56/653764356.db2.gz FHRRODGCVYVFHJ-UHFFFAOYSA-N 1 0 383.283 2.393 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)C[C@H](C)n2cc(Br)cn2)C1 ZINC000842717421 653764489 /nfs/dbraw/zinc/76/44/89/653764489.db2.gz UHZGFMYTNVDXFB-ZFWWWQNUSA-N 1 0 388.306 2.497 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000842727205 653764921 /nfs/dbraw/zinc/76/49/21/653764921.db2.gz VXAQTQDTFLBRMM-NXEZZACHSA-N 1 0 395.294 2.345 20 0 GEADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000842737708 653765418 /nfs/dbraw/zinc/76/54/18/653765418.db2.gz MRVKGYYDFJRGJP-UHFFFAOYSA-N 1 0 389.315 2.274 20 0 GEADRO CCCn1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)nn1 ZINC000865444738 653765513 /nfs/dbraw/zinc/76/55/13/653765513.db2.gz YNIMMZBXLPRXNL-UHFFFAOYSA-N 1 0 380.290 2.360 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000842745280 653765829 /nfs/dbraw/zinc/76/58/29/653765829.db2.gz 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CC(=O)c1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)ccc1Br ZINC000842838039 653770249 /nfs/dbraw/zinc/77/02/49/653770249.db2.gz GDCDHRCKAZLRGZ-GFCCVEGCSA-N 1 0 389.315 2.401 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)ccc1Br ZINC000842846474 653770404 /nfs/dbraw/zinc/77/04/04/653770404.db2.gz KBWNWQNEOLXAKC-CQSZACIVSA-N 1 0 375.288 2.011 20 0 GEADRO C[C@@H]1CC[C@H]([NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CS1(=O)=O ZINC000865626566 653770439 /nfs/dbraw/zinc/77/04/39/653770439.db2.gz USDWCLBXOGTIDW-WOPDTQHZSA-N 1 0 388.452 2.387 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000842869105 653771159 /nfs/dbraw/zinc/77/11/59/653771159.db2.gz FPRCIHKHVZQKKB-SECBINFHSA-N 1 0 383.283 2.393 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@H]1CCSC1 ZINC000865654032 653771222 /nfs/dbraw/zinc/77/12/22/653771222.db2.gz FKPAGSLTAABPHT-OLZOCXBDSA-N 1 0 377.963 2.437 20 0 GEADRO C[C@@H]1CN(C(=O)C2(n3cc(Br)cn3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000820307721 653771751 /nfs/dbraw/zinc/77/17/51/653771751.db2.gz BQGBHJGDPXZDTD-ZDUSSCGKSA-N 1 0 381.318 2.468 20 0 GEADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1cc(Br)cnc1Cl ZINC000842894518 653772519 /nfs/dbraw/zinc/77/25/19/653772519.db2.gz IANBJHJNQOCFCO-SNVBAGLBSA-N 1 0 382.711 2.308 20 0 GEADRO CN(C(=O)c1ccc(I)cc1O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865716871 653772642 /nfs/dbraw/zinc/77/26/42/653772642.db2.gz GPYHBRNBROUUNP-LBPRGKRZSA-N 1 0 386.233 2.306 20 0 GEADRO O=S(=O)(CC=C(Cl)Cl)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882261549 653773193 /nfs/dbraw/zinc/77/31/93/653773193.db2.gz IIQZRULNAHAKRI-UHFFFAOYSA-N 1 0 393.336 2.252 20 0 GEADRO O=C1OC[C@@]2(C[NH2+]Cc3ccc(Br)c4cccnc34)COCCN12 ZINC000865770148 653774318 /nfs/dbraw/zinc/77/43/18/653774318.db2.gz OPKWOKUBQHEYAZ-QGZVFWFLSA-N 1 0 392.253 2.308 20 0 GEADRO O=C1OC[C@@]2(C[NH2+]Cc3nc4ccc(Br)cc4s3)COCCN12 ZINC000865770658 653774393 /nfs/dbraw/zinc/77/43/93/653774393.db2.gz NYJURGSYVCMGQD-OAHLLOKOSA-N 1 0 398.282 2.370 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000842930839 653774492 /nfs/dbraw/zinc/77/44/92/653774492.db2.gz WOYHKKSSNYYRMJ-LCGIIJARSA-N 1 0 386.539 2.251 20 0 GEADRO C[C@H](C[NH2+]Cc1ncc(C2OCCO2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000865784480 653774990 /nfs/dbraw/zinc/77/49/90/653774990.db2.gz YYSBPFJELKRKEQ-GFCCVEGCSA-N 1 0 382.507 2.485 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c(F)cncc1Br ZINC000865788868 653775062 /nfs/dbraw/zinc/77/50/62/653775062.db2.gz HRXPVOGCQRFYPE-GFCCVEGCSA-N 1 0 386.265 2.356 20 0 GEADRO CC[N@H+](CCNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1)C(C)C ZINC000865819231 653776243 /nfs/dbraw/zinc/77/62/43/653776243.db2.gz PMYSRZAYJPMHAD-MRXNPFEDSA-N 1 0 384.318 2.473 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[NH+](C2CCC2)CC1)c1cccc(Br)c1 ZINC000865843196 653776917 /nfs/dbraw/zinc/77/69/17/653776917.db2.gz KRUPULBLTMLOFP-KRWDZBQOSA-N 1 0 394.313 2.323 20 0 GEADRO CS(=O)(=O)CCSc1cc(Br)ccc1CN1CC[C@@H]([NH3+])C1 ZINC000843045218 653777750 /nfs/dbraw/zinc/77/77/50/653777750.db2.gz PURZLMBWCFAFJP-CYBMUJFWSA-N 1 0 393.372 2.119 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000843049673 653778023 /nfs/dbraw/zinc/77/80/23/653778023.db2.gz RFWFRWWNBPTZJM-RYUDHWBXSA-N 1 0 384.933 2.074 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000843051135 653778060 /nfs/dbraw/zinc/77/80/60/653778060.db2.gz ASHGRIVTHJHDRY-UHFFFAOYSA-N 1 0 378.217 2.301 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000865868972 653778295 /nfs/dbraw/zinc/77/82/95/653778295.db2.gz RXOHXHNSFJYFRQ-LBPRGKRZSA-N 1 0 382.249 2.393 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865876540 653778489 /nfs/dbraw/zinc/77/84/89/653778489.db2.gz QFQVTPFCYCBQFG-GOEBONIOSA-N 1 0 389.949 2.235 20 0 GEADRO OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843064056 653778593 /nfs/dbraw/zinc/77/85/93/653778593.db2.gz FSTTXHOEAAZXLT-WBVHZDCISA-N 1 0 398.276 2.478 20 0 GEADRO OCCN1CCCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843093851 653779060 /nfs/dbraw/zinc/77/90/60/653779060.db2.gz OMQJCYQMQYAUKU-CJNGLKHVSA-N 1 0 375.282 2.058 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843099558 653779307 /nfs/dbraw/zinc/77/93/07/653779307.db2.gz ANKNWMBGNKGYKG-XJKSGUPXSA-N 1 0 377.298 2.304 20 0 GEADRO O=S(=O)(CC[C@H]1CC1(Cl)Cl)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000882385056 653779302 /nfs/dbraw/zinc/77/93/02/653779302.db2.gz ABBVJRZFELQKHN-AWEZNQCLSA-N 1 0 399.384 2.381 20 0 GEADRO CCC[C@H](O)[C@@H](CO)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000843102948 653779408 /nfs/dbraw/zinc/77/94/08/653779408.db2.gz XHUVVXFTLJJTFM-QLFBSQMISA-N 1 0 380.710 2.422 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000843110056 653779649 /nfs/dbraw/zinc/77/96/49/653779649.db2.gz AOLBOBZWDRPBAV-PBHICJAKSA-N 1 0 376.856 2.378 20 0 GEADRO OC[C@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)Cc1cccc(Br)c1 ZINC000843109823 653779664 /nfs/dbraw/zinc/77/96/64/653779664.db2.gz HBDYUJAAWLRDDQ-GUYCJALGSA-N 1 0 383.261 2.457 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000843110059 653779667 /nfs/dbraw/zinc/77/96/67/653779667.db2.gz AOLBOBZWDRPBAV-YOEHRIQHSA-N 1 0 376.856 2.378 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000843110962 653779687 /nfs/dbraw/zinc/77/96/87/653779687.db2.gz IBOGLBKCJQPRJJ-IAGOWNOFSA-N 1 0 387.860 2.239 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(c3cnn(CC(F)(F)F)c(=O)c3Br)C2)C1 ZINC000882397682 653779976 /nfs/dbraw/zinc/77/99/76/653779976.db2.gz OASLSHDKGBDOKW-CYBMUJFWSA-N 1 0 395.223 2.100 20 0 GEADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc(Br)no2)cc1 ZINC000865928619 653780052 /nfs/dbraw/zinc/78/00/52/653780052.db2.gz HPKQWKPZEFTZFO-UHFFFAOYSA-N 1 0 382.258 2.350 20 0 GEADRO [NH3+]CCc1noc(CCSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1 ZINC000843130571 653780172 /nfs/dbraw/zinc/78/01/72/653780172.db2.gz OCNMVNPCGRCTLG-UHFFFAOYSA-N 1 0 377.495 2.246 20 0 GEADRO O=C1COc2cc(Br)ccc2N1Cc1nc(C2CC[NH2+]CC2)no1 ZINC000843138271 653780456 /nfs/dbraw/zinc/78/04/56/653780456.db2.gz ROXCYLPIDPYRNZ-UHFFFAOYSA-N 1 0 393.241 2.225 20 0 GEADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cc(Br)no1 ZINC000865946179 653781069 /nfs/dbraw/zinc/78/10/69/653781069.db2.gz GANGEFQWRLIHAE-UHFFFAOYSA-N 1 0 394.269 2.324 20 0 GEADRO C[S@@](=O)(=NS(=O)(=O)NCC1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000882422291 653781095 /nfs/dbraw/zinc/78/10/95/653781095.db2.gz MOMCXDYVUKBWCB-DEOSSOPVSA-N 1 0 391.603 2.373 20 0 GEADRO O=c1[nH]c(Cc2noc([C@]3(F)CC[NH2+]C3)n2)nc2ccc(Br)cc12 ZINC000843201041 653781163 /nfs/dbraw/zinc/78/11/63/653781163.db2.gz NFQWSHYEHMLFAO-HNNXBMFYSA-N 1 0 394.204 2.230 20 0 GEADRO C[NH2+]C[C@H](C)c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000843201452 653781202 /nfs/dbraw/zinc/78/12/02/653781202.db2.gz VOGZGJMOYWQYON-QMMMGPOBSA-N 1 0 378.230 2.395 20 0 GEADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cc(Br)no3)CC2)CC1 ZINC000865963375 653781474 /nfs/dbraw/zinc/78/14/74/653781474.db2.gz NHUUTOVJRNAUQA-UHFFFAOYSA-N 1 0 385.306 2.068 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(Br)no3)CC2)CC1 ZINC000865959183 653781598 /nfs/dbraw/zinc/78/15/98/653781598.db2.gz GTGMAPOAPWRSNS-UHFFFAOYSA-N 1 0 385.306 2.068 20 0 GEADRO O=C(Cc1noc(C[C@H]2CSCC[NH2+]2)n1)Nc1ccccc1Br ZINC000843218982 653781612 /nfs/dbraw/zinc/78/16/12/653781612.db2.gz NXVCFXVBXMJKQS-JTQLQIEISA-N 1 0 397.298 2.261 20 0 GEADRO F[C@@]1(c2nc(COc3ccc(I)cc3)no2)CC[NH2+]C1 ZINC000843227305 653781950 /nfs/dbraw/zinc/78/19/50/653781950.db2.gz XWFBLLZOMQXIOD-ZDUSSCGKSA-N 1 0 389.168 2.411 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C)CCCC[NH+](C)C)c1cccc(Br)c1 ZINC000865976037 653782104 /nfs/dbraw/zinc/78/21/04/653782104.db2.gz FRKSWFMWMGEOJA-MRXNPFEDSA-N 1 0 384.318 2.427 20 0 GEADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000820753846 653782149 /nfs/dbraw/zinc/78/21/49/653782149.db2.gz OUVYRRFFAGJMFK-UHFFFAOYSA-N 1 0 384.727 2.364 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000865992444 653782693 /nfs/dbraw/zinc/78/26/93/653782693.db2.gz GEAIUCNCNOPBKI-UHFFFAOYSA-N 1 0 382.302 2.088 20 0 GEADRO COc1cc(CNC(=S)NCCC[NH+](C)C)c(Br)cc1O ZINC000843286144 653782782 /nfs/dbraw/zinc/78/27/82/653782782.db2.gz LNMKXFHQCBWPCR-UHFFFAOYSA-N 1 0 376.320 2.079 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1Cl ZINC000843502764 653788455 /nfs/dbraw/zinc/78/84/55/653788455.db2.gz FSNYYGFWYNJZNO-VXGBXAGGSA-N 1 0 375.922 2.226 20 0 GEADRO COC(=O)c1cc(NC(=O)CO[C@H]2CCC[NH2+]C2)cc(Br)c1F ZINC000843499643 653788463 /nfs/dbraw/zinc/78/84/63/653788463.db2.gz KYRUXCHOPKJOFM-JTQLQIEISA-N 1 0 389.221 2.082 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000843506172 653788647 /nfs/dbraw/zinc/78/86/47/653788647.db2.gz YEKYMVKMZIJWML-NEPJUHHUSA-N 1 0 375.922 2.226 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCCCC[NH3+])C2)s1 ZINC000843510280 653788804 /nfs/dbraw/zinc/78/88/04/653788804.db2.gz LYJMUNZLTSGUFJ-OAHLLOKOSA-N 1 0 387.571 2.093 20 0 GEADRO [NH3+]CCCCCCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000843509314 653788871 /nfs/dbraw/zinc/78/88/71/653788871.db2.gz INTBAHDSRKQVIN-OAHLLOKOSA-N 1 0 382.302 2.437 20 0 GEADRO O=C(c1cc(Br)cc(F)c1[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000866319341 653790660 /nfs/dbraw/zinc/79/06/60/653790660.db2.gz FBCKFAAIVGSPTI-UHFFFAOYSA-N 1 0 387.249 2.231 20 0 GEADRO O=C1CCCN1[C@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000790453931 653792296 /nfs/dbraw/zinc/79/22/96/653792296.db2.gz MKHFBGMJPZBJSZ-ZDUSSCGKSA-N 1 0 390.281 2.418 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2CCC(O)(c3scnc3Br)CC2)CC[N@@H+]1C ZINC000843874105 653795989 /nfs/dbraw/zinc/79/59/89/653795989.db2.gz DFRJHKRZDBIJFU-GHMZBOCLSA-N 1 0 388.331 2.056 20 0 GEADRO C[C@H](CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)C[NH+]1CCN(C)CC1 ZINC000790757090 653796620 /nfs/dbraw/zinc/79/66/20/653796620.db2.gz ANZFWRRTMQHUIB-FMKPAKJESA-N 1 0 377.360 2.095 20 0 GEADRO CCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000843991714 653798504 /nfs/dbraw/zinc/79/85/04/653798504.db2.gz LJPMRJWHPOEUPB-AWEZNQCLSA-N 1 0 387.933 2.147 20 0 GEADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)C1CC1 ZINC000866491934 653798790 /nfs/dbraw/zinc/79/87/90/653798790.db2.gz HLVWGUARWBVFCE-OXGONZEZSA-N 1 0 376.613 2.349 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000866491579 653798807 /nfs/dbraw/zinc/79/88/07/653798807.db2.gz CZMFNDLNGVUXEY-UHFFFAOYSA-N 1 0 375.560 2.369 20 0 GEADRO CC(C)(C[NH2+][C@H]1CCc2cc(Br)ccc2C1)CS(N)(=O)=O ZINC000866570925 653802725 /nfs/dbraw/zinc/80/27/25/653802725.db2.gz RZTFHRCVNCSQHH-AWEZNQCLSA-N 1 0 375.332 2.211 20 0 GEADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000866569840 653802730 /nfs/dbraw/zinc/80/27/30/653802730.db2.gz FIHZHMDNRVYQAC-SNVBAGLBSA-N 1 0 381.311 2.424 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)[C@@H]1C ZINC000844196228 653802951 /nfs/dbraw/zinc/80/29/51/653802951.db2.gz CEWMOJFVWMTFAD-VXGBXAGGSA-N 1 0 378.523 2.137 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000844196216 653803015 /nfs/dbraw/zinc/80/30/15/653803015.db2.gz FMAVPBVJQYWEQB-GPCCPHFNSA-N 1 0 398.248 2.055 20 0 GEADRO C[C@](O)(CN1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(Br)cc1Cl ZINC000844282218 653804339 /nfs/dbraw/zinc/80/43/39/653804339.db2.gz KDUGDPJFVJNLFG-CJNGLKHVSA-N 1 0 389.721 2.061 20 0 GEADRO COC[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1cccc(Br)c1 ZINC000866597368 653805341 /nfs/dbraw/zinc/80/53/41/653805341.db2.gz RJWJEQHLYUCQLM-UUCFBXCCSA-N 1 0 396.285 2.247 20 0 GEADRO Cc1nc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)sc1Br ZINC000882768925 653805763 /nfs/dbraw/zinc/80/57/63/653805763.db2.gz ZNNUXXXHTPRLGX-UHFFFAOYSA-N 1 0 394.360 2.463 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000866632350 653807497 /nfs/dbraw/zinc/80/74/97/653807497.db2.gz YLIVHUGJOULVMA-ZDUSSCGKSA-N 1 0 375.254 2.464 20 0 GEADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc(Br)[nH]n1 ZINC000791388592 653811997 /nfs/dbraw/zinc/81/19/97/653811997.db2.gz AJDCXONCGQTDHX-UHFFFAOYSA-N 1 0 379.258 2.381 20 0 GEADRO C[C@@H]1CN(c2ncc(I)cn2)CCN1c1cc[nH+]cc1 ZINC000882820274 653812034 /nfs/dbraw/zinc/81/20/34/653812034.db2.gz KFOXTHJQSJKVDN-LLVKDONJSA-N 1 0 381.221 2.191 20 0 GEADRO Cc1nn(C)c(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1Br ZINC000895001000 653812087 /nfs/dbraw/zinc/81/20/87/653812087.db2.gz ODMGGIMMGNLGIF-KRWDZBQOSA-N 1 0 377.286 2.120 20 0 GEADRO CC(C)[C@H](C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)ONC(=O)OC(C)(C)C ZINC000895030818 653813467 /nfs/dbraw/zinc/81/34/67/653813467.db2.gz OLDFGZBSNSPRQU-KKUMJFAQSA-N 1 0 378.535 2.413 20 0 GEADRO CC(C)[C@@H](C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1)ONC(=O)OC(C)(C)C ZINC000895030126 653813554 /nfs/dbraw/zinc/81/35/54/653813554.db2.gz LLMMBGYNAKEJST-DZGCQCFKSA-N 1 0 378.535 2.270 20 0 GEADRO C[C@H](c1cccc(Br)c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711167 653813922 /nfs/dbraw/zinc/81/39/22/653813922.db2.gz DFQKZUUTYKRPFO-MPESAESLSA-N 1 0 380.286 2.377 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000866717477 653814586 /nfs/dbraw/zinc/81/45/86/653814586.db2.gz GMCQWUCAVOFTDK-DEOSSOPVSA-N 1 0 387.571 2.440 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866721584 653815435 /nfs/dbraw/zinc/81/54/35/653815435.db2.gz WWQFHSMCGHZBFB-LSDHHAIUSA-N 1 0 399.276 2.364 20 0 GEADRO Cn1ncc(I)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000895074081 653815753 /nfs/dbraw/zinc/81/57/53/653815753.db2.gz LUHYARFRETXBDI-WCQYABFASA-N 1 0 375.254 2.416 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2csc(Br)n2)CC1 ZINC000822037737 653817067 /nfs/dbraw/zinc/81/70/67/653817067.db2.gz KGZOXTNTOVHPNX-UHFFFAOYSA-N 1 0 375.336 2.052 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1=O ZINC000844761888 653817140 /nfs/dbraw/zinc/81/71/40/653817140.db2.gz SJOZZBBUWXYZMT-UHFFFAOYSA-N 1 0 375.416 2.145 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000866739181 653817512 /nfs/dbraw/zinc/81/75/12/653817512.db2.gz ZHZVPRSXCFTCLK-NSHDSACASA-N 1 0 377.304 2.019 20 0 GEADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000844779528 653817626 /nfs/dbraw/zinc/81/76/26/653817626.db2.gz XRRCFMNTXPQBDC-AWEZNQCLSA-N 1 0 376.507 2.186 20 0 GEADRO C[N@H+](CCNc1ccc(Br)c(C(F)(F)F)n1)CCOCCO ZINC000882951525 653819195 /nfs/dbraw/zinc/81/91/95/653819195.db2.gz JBUJHXUWQFFRBG-UHFFFAOYSA-N 1 0 386.212 2.216 20 0 GEADRO CC1([NH+]2CCC2)CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000882965028 653819894 /nfs/dbraw/zinc/81/98/94/653819894.db2.gz UOQPZMAWSQQICD-UHFFFAOYSA-N 1 0 377.432 2.417 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(C(F)(F)Br)nc1 ZINC000822188407 653820341 /nfs/dbraw/zinc/82/03/41/653820341.db2.gz NELZKVFIJOOVHE-UHFFFAOYSA-N 1 0 392.244 2.368 20 0 GEADRO COC(=O)[C@]1(O)CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000883000522 653821473 /nfs/dbraw/zinc/82/14/73/653821473.db2.gz DPRYTDTXCPOTAR-INIZCTEOSA-N 1 0 381.226 2.120 20 0 GEADRO Cc1cc(C[NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)ncc1Br ZINC000895208586 653822796 /nfs/dbraw/zinc/82/27/96/653822796.db2.gz YLULYXZHEKDXIP-UHFFFAOYSA-N 1 0 386.290 2.224 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000866775671 653823818 /nfs/dbraw/zinc/82/38/18/653823818.db2.gz LJESCYYTFGCZKF-AGIUHOORSA-N 1 0 394.324 2.438 20 0 GEADRO C[C@H](Nc1ncnc(C(F)(F)F)c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000895249585 653824704 /nfs/dbraw/zinc/82/47/04/653824704.db2.gz SGPXHHOVMAZPGR-IUCAKERBSA-N 1 0 382.228 2.304 20 0 GEADRO Nc1cnccc1C[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000883078969 653825220 /nfs/dbraw/zinc/82/52/20/653825220.db2.gz GVRHKLDZFXPGQY-UHFFFAOYSA-N 1 0 375.372 2.126 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866794274 653827468 /nfs/dbraw/zinc/82/74/68/653827468.db2.gz IQIJRNMRWZZTPP-UHFFFAOYSA-N 1 0 389.315 2.411 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)ccc1Br ZINC000866795544 653827701 /nfs/dbraw/zinc/82/77/01/653827701.db2.gz ZCICPUJIAPSIJC-UHFFFAOYSA-N 1 0 387.299 2.296 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1csc(I)n1 ZINC000822432350 653827857 /nfs/dbraw/zinc/82/78/57/653827857.db2.gz BQSLAJYNRGIWJG-DTWKUNHWSA-N 1 0 377.251 2.104 20 0 GEADRO C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC000822455486 653828517 /nfs/dbraw/zinc/82/85/17/653828517.db2.gz FVSRKMLOWSUIHS-ZIAGYGMSSA-N 1 0 377.551 2.082 20 0 GEADRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1c(I)cnn1C ZINC000895339882 653828736 /nfs/dbraw/zinc/82/87/36/653828736.db2.gz BWELJPVIYJEQQT-OCCSQVGLSA-N 1 0 391.253 2.236 20 0 GEADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C1 ZINC000866807740 653830121 /nfs/dbraw/zinc/83/01/21/653830121.db2.gz MWNWUVYMNKDHCX-BPLDGKMQSA-N 1 0 388.917 2.304 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866811277 653830977 /nfs/dbraw/zinc/83/09/77/653830977.db2.gz PHVPNBRCOPUXMT-CYBMUJFWSA-N 1 0 390.933 2.422 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc(N(C)C)ccc1Br)C1CC[NH2+]CC1 ZINC000866813144 653831241 /nfs/dbraw/zinc/83/12/41/653831241.db2.gz NAZNSBZXOMIEBS-NSHDSACASA-N 1 0 390.347 2.182 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000883254449 653833184 /nfs/dbraw/zinc/83/31/84/653833184.db2.gz SXIZHKBIKSWFIC-GFCCVEGCSA-N 1 0 386.290 2.360 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(C)c1Cl ZINC000866824206 653833418 /nfs/dbraw/zinc/83/34/18/653833418.db2.gz KGXRIRHUFQKCFO-UWVGGRQHSA-N 1 0 378.903 2.012 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866826660 653833692 /nfs/dbraw/zinc/83/36/92/653833692.db2.gz AQXUOLWOANBIDE-OLZOCXBDSA-N 1 0 380.491 2.203 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866826804 653833992 /nfs/dbraw/zinc/83/39/92/653833992.db2.gz CXAABCAJSTXTNO-UWVGGRQHSA-N 1 0 380.695 2.013 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(Cl)cc1Cl ZINC000866827409 653834065 /nfs/dbraw/zinc/83/40/65/653834065.db2.gz MKPIMQBVHNEUHU-STQMWFEESA-N 1 0 393.292 2.295 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866829207 653834623 /nfs/dbraw/zinc/83/46/23/653834623.db2.gz ZQEUMXYVADMXBX-KBPBESRZSA-N 1 0 388.331 2.030 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000883301107 653834834 /nfs/dbraw/zinc/83/48/34/653834834.db2.gz QACYXJLWFNDQKO-LLVKDONJSA-N 1 0 376.272 2.235 20 0 GEADRO C[C@@H]([NH2+]CCc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000895443908 653835010 /nfs/dbraw/zinc/83/50/10/653835010.db2.gz BSVIABONKYKWAN-DGCLKSJQSA-N 1 0 393.290 2.247 20 0 GEADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1nnc2n1CCNC2=O ZINC000883305226 653835227 /nfs/dbraw/zinc/83/52/27/653835227.db2.gz RLOAYIIKDUJFKC-CQSZACIVSA-N 1 0 392.301 2.141 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000895459172 653836017 /nfs/dbraw/zinc/83/60/17/653836017.db2.gz YCNSIYMFCRLRIO-NSHDSACASA-N 1 0 375.254 2.321 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1nn2c(c1Br)CCC2)Cc1ccccc1 ZINC000895457906 653836117 /nfs/dbraw/zinc/83/61/17/653836117.db2.gz JMWAFNUVGOEAOQ-AWEZNQCLSA-N 1 0 391.313 2.495 20 0 GEADRO Cn1ccn2c(C[NH2+]C3CC(c4cccc(Br)c4)C3)nnc2c1=O ZINC000883335790 653836219 /nfs/dbraw/zinc/83/62/19/653836219.db2.gz ARYCIXZXCSHHPF-UHFFFAOYSA-N 1 0 388.269 2.226 20 0 GEADRO CN(CC[NH2+]Cc1ccnc2c(Br)cccc12)CCOCCO ZINC000883348535 653836622 /nfs/dbraw/zinc/83/66/22/653836622.db2.gz UYRJKKFZOWXMGM-UHFFFAOYSA-N 1 0 382.302 2.028 20 0 GEADRO CN(CC[NH2+][C@@H]1CCc2c1cc(Br)cc2F)CCOCCO ZINC000883349431 653836668 /nfs/dbraw/zinc/83/66/68/653836668.db2.gz BFCCKFMBGXKQPJ-MRXNPFEDSA-N 1 0 375.282 2.106 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000866843937 653836969 /nfs/dbraw/zinc/83/69/69/653836969.db2.gz USEMCCYIUXMYDD-HNNXBMFYSA-N 1 0 380.432 2.144 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000866862170 653839989 /nfs/dbraw/zinc/83/99/89/653839989.db2.gz CJMTYAULBSUICJ-IACUBPJLSA-N 1 0 398.301 2.182 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)[C@H]1c1cccs1 ZINC000883452844 653840199 /nfs/dbraw/zinc/84/01/99/653840199.db2.gz FLZHUQBHDUWVFY-YXWQFLTLSA-N 1 0 385.555 2.006 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1 ZINC000883469999 653840931 /nfs/dbraw/zinc/84/09/31/653840931.db2.gz IRLNPUQFRIGEJT-UHFFFAOYSA-N 1 0 388.795 2.028 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c1 ZINC000883472173 653841288 /nfs/dbraw/zinc/84/12/88/653841288.db2.gz RACAJTNPWXCFOF-UHFFFAOYSA-N 1 0 375.210 2.269 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)s1 ZINC000883472287 653841300 /nfs/dbraw/zinc/84/13/00/653841300.db2.gz YEWBGCCLKKJDSZ-UHFFFAOYSA-N 1 0 381.239 2.331 20 0 GEADRO NS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1C(F)(F)F ZINC000895572953 653841432 /nfs/dbraw/zinc/84/14/32/653841432.db2.gz WUWGQXCSQLVVDX-OLZOCXBDSA-N 1 0 395.472 2.345 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CC[NH2+]CCC34CCC4)cc2N1 ZINC000883478490 653842079 /nfs/dbraw/zinc/84/20/79/653842079.db2.gz LMHLHXWTQYDVAX-UHFFFAOYSA-N 1 0 383.901 2.131 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccccc1C(F)(F)F)C2 ZINC000883481272 653842776 /nfs/dbraw/zinc/84/27/76/653842776.db2.gz FDCNRIWHZSJXIP-UHFFFAOYSA-N 1 0 377.413 2.368 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000883483305 653843072 /nfs/dbraw/zinc/84/30/72/653843072.db2.gz ASCLVNPHOBRLJX-UHFFFAOYSA-N 1 0 380.919 2.389 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(OC)ccc2Br)CC1 ZINC000883483704 653843099 /nfs/dbraw/zinc/84/30/99/653843099.db2.gz RAMMMISNGYETKZ-UHFFFAOYSA-N 1 0 377.304 2.350 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ncsc2Br)C1 ZINC000866921174 653849840 /nfs/dbraw/zinc/84/98/40/653849840.db2.gz MRQFCGBJHRRQLH-NXEZZACHSA-N 1 0 382.349 2.198 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866885113 653843591 /nfs/dbraw/zinc/84/35/91/653843591.db2.gz CVFRGQGJTPFWDK-CYBMUJFWSA-N 1 0 399.314 2.067 20 0 GEADRO 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O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Br)cnc1C1CC1 ZINC000822998246 653849576 /nfs/dbraw/zinc/84/95/76/653849576.db2.gz HEDQGRZCUSHELS-AWEZNQCLSA-N 1 0 382.302 2.298 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000895781820 653850021 /nfs/dbraw/zinc/85/00/21/653850021.db2.gz IOTPPGKLIPPEES-UHFFFAOYSA-N 1 0 376.258 2.176 20 0 GEADRO Cn1ccn2c(CC[NH2+]CCCc3c(Cl)cccc3Cl)nnc2c1=O ZINC000895789818 653850281 /nfs/dbraw/zinc/85/02/81/653850281.db2.gz PVNOPIAMBDHNEU-UHFFFAOYSA-N 1 0 380.279 2.500 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000895797163 653850636 /nfs/dbraw/zinc/85/06/36/653850636.db2.gz VFJQLVLKCNWFRE-NSHDSACASA-N 1 0 388.253 2.023 20 0 GEADRO O=C1NCCN1Cc1ccc(C[NH2+]Cc2ncc(Br)cc2O)cc1 ZINC000895838798 653852111 /nfs/dbraw/zinc/85/21/11/653852111.db2.gz FYZZNQZDWGSBRW-UHFFFAOYSA-N 1 0 391.269 2.365 20 0 GEADRO Cn1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1C(F)(F)F ZINC000866937677 653852382 /nfs/dbraw/zinc/85/23/82/653852382.db2.gz JVXMCLXNUXUALB-UHFFFAOYSA-N 1 0 396.460 2.253 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000895877250 653854309 /nfs/dbraw/zinc/85/43/09/653854309.db2.gz AMKDVQZOZFBAEY-GMSGAONNSA-N 1 0 384.059 2.288 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)c1nc(-c2cccn3c(I)cnc23)no1 ZINC000823116683 653854337 /nfs/dbraw/zinc/85/43/37/653854337.db2.gz YOLQTMXICDNUTJ-HTQZYQBOSA-N 1 0 383.193 2.440 20 0 GEADRO COCC[NH+]1CCC(NC(=O)COCCc2ccc(Br)cc2)CC1 ZINC000895887502 653855667 /nfs/dbraw/zinc/85/56/67/653855667.db2.gz ACZCJMGHZLFTLN-UHFFFAOYSA-N 1 0 399.329 2.235 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)nc1Br ZINC000792948028 653856551 /nfs/dbraw/zinc/85/65/51/653856551.db2.gz IADQTVGUTYBXMC-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)nc1Br ZINC000792949300 653856832 /nfs/dbraw/zinc/85/68/32/653856832.db2.gz QJHWLXFOSWOPAF-UHFFFAOYSA-N 1 0 385.306 2.326 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1cc2cc(Br)ccc2o1 ZINC000883946011 653857289 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381.270 2.035 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000896010915 653860695 /nfs/dbraw/zinc/86/06/95/653860695.db2.gz YFGIXHFGBMXKOS-AWEZNQCLSA-N 1 0 389.315 2.464 20 0 GEADRO C[NH+](C)CCCNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000884021607 653860704 /nfs/dbraw/zinc/86/07/04/653860704.db2.gz GHYPMBYXMBEOKZ-UHFFFAOYSA-N 1 0 380.290 2.386 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884025214 653860760 /nfs/dbraw/zinc/86/07/60/653860760.db2.gz PQEZVSQYWCGPIH-ZUZCIYMTSA-N 1 0 381.270 2.116 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[C@@H]1[NH3+] ZINC000884034166 653861042 /nfs/dbraw/zinc/86/10/42/653861042.db2.gz ZFWMFNNVALPZSN-KOLCDFICSA-N 1 0 398.692 2.493 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)C[C@@H]1C ZINC000793005274 653861079 /nfs/dbraw/zinc/86/10/79/653861079.db2.gz QBDWKKFBHPNQOK-QWHCGFSZSA-N 1 0 397.317 2.422 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000845735505 653861277 /nfs/dbraw/zinc/86/12/77/653861277.db2.gz XOSMLFUNQDOVFH-AWEZNQCLSA-N 1 0 388.917 2.424 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(OC(F)F)c(Br)c2)CCO1 ZINC000884043606 653861329 /nfs/dbraw/zinc/86/13/29/653861329.db2.gz ZZYBSVUGZMUZHX-PRHODGIISA-N 1 0 379.201 2.239 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793007028 653861464 /nfs/dbraw/zinc/86/14/64/653861464.db2.gz PNSFPIAZVJUNLB-GFCCVEGCSA-N 1 0 383.290 2.115 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)n2)C[C@H]1C ZINC000793006362 653861502 /nfs/dbraw/zinc/86/15/02/653861502.db2.gz VMIZQLUFNHHWKX-VXGBXAGGSA-N 1 0 383.290 2.114 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793007029 653861508 /nfs/dbraw/zinc/86/15/08/653861508.db2.gz PNSFPIAZVJUNLB-LBPRGKRZSA-N 1 0 383.290 2.115 20 0 GEADRO COCC[C@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884054067 653861541 /nfs/dbraw/zinc/86/15/41/653861541.db2.gz PGQDTKOXAFHWLK-LBPRGKRZSA-N 1 0 381.782 2.120 20 0 GEADRO O=C1[C@H](c2nc(N3CC[NH2+]CC3)no2)CCN1c1cc(Cl)ccc1Cl ZINC000823304450 653861885 /nfs/dbraw/zinc/86/18/85/653861885.db2.gz WVBXOMSYYUHZHD-NSHDSACASA-N 1 0 382.251 2.307 20 0 GEADRO Brc1ccc(C2(c3nc(N4CC[NH2+]CC4)no3)CCOCC2)cc1 ZINC000823304177 653861912 /nfs/dbraw/zinc/86/19/12/653861912.db2.gz LGOGUQDLGLUWAG-UHFFFAOYSA-N 1 0 393.285 2.338 20 0 GEADRO C[NH+](C)CC1CCC(NS(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000866995495 653862221 /nfs/dbraw/zinc/86/22/21/653862221.db2.gz HEBPVWSVNSXHTB-OWABHCPYSA-N 1 0 391.534 2.237 20 0 GEADRO Cc1nc(-c2nc(N3CC[NH2+]CC3)no2)nn1-c1c(Cl)cccc1Cl ZINC000823314508 653862302 /nfs/dbraw/zinc/86/23/02/653862302.db2.gz FRSNHOUNWKOPSB-UHFFFAOYSA-N 1 0 380.239 2.342 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)c1ccc(Br)cc1 ZINC000884082533 653862721 /nfs/dbraw/zinc/86/27/21/653862721.db2.gz LAOCFAZOBOZZGZ-GOEBONIOSA-N 1 0 394.313 2.214 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000793042966 653863919 /nfs/dbraw/zinc/86/39/19/653863919.db2.gz NGNOTKWUVXJIDX-UHFFFAOYSA-N 1 0 392.541 2.453 20 0 GEADRO Cc1cccc(OC[C@@H](O)CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000884104058 653863993 /nfs/dbraw/zinc/86/39/93/653863993.db2.gz BJGMEPZGMURGGS-DOTOQJQBSA-N 1 0 393.281 2.313 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC000845813279 653864169 /nfs/dbraw/zinc/86/41/69/653864169.db2.gz AXQQPVQINWLJLI-QLFBSQMISA-N 1 0 386.539 2.093 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H](CC(C)C)[NH2+]C)s1 ZINC000884126838 653864970 /nfs/dbraw/zinc/86/49/70/653864970.db2.gz MJXKICVJGYGQSB-HNNXBMFYSA-N 1 0 389.587 2.071 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884136777 653865254 /nfs/dbraw/zinc/86/52/54/653865254.db2.gz UZDZBDJGKGWXPV-SNPRPXQTSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1Br ZINC000867011609 653865287 /nfs/dbraw/zinc/86/52/87/653865287.db2.gz CLSOFLPRPOKXGU-UHFFFAOYSA-N 1 0 387.322 2.145 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)nc1Br ZINC000793069018 653865746 /nfs/dbraw/zinc/86/57/46/653865746.db2.gz QFNBFCFWFZUDAA-LBPRGKRZSA-N 1 0 397.317 2.328 20 0 GEADRO [NH3+][C@H](C(=O)NCCCOCC1CCOCC1)c1ccc(Br)cc1 ZINC000884151533 653865994 /nfs/dbraw/zinc/86/59/94/653865994.db2.gz PBYQYIWLTDGEDB-INIZCTEOSA-N 1 0 385.302 2.398 20 0 GEADRO CS[C@H]1CN(C(=O)c2cnn(C(C)C)c2Br)C[C@@H]1[NH+](C)C ZINC000867019027 653866485 /nfs/dbraw/zinc/86/64/85/653866485.db2.gz FWBGMNMTVROQON-RYUDHWBXSA-N 1 0 375.336 2.344 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000896162879 653866905 /nfs/dbraw/zinc/86/69/05/653866905.db2.gz BGYMHTSZMKHIHM-INIZCTEOSA-N 1 0 395.297 2.331 20 0 GEADRO [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000884193854 653867552 /nfs/dbraw/zinc/86/75/52/653867552.db2.gz RBBJFYJSIOIFSC-TZMCWYRMSA-N 1 0 395.301 2.149 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000896182269 653867865 /nfs/dbraw/zinc/86/78/65/653867865.db2.gz QJLDFLFDAKYJOP-NSHDSACASA-N 1 0 388.253 2.023 20 0 GEADRO [NH3+][C@H](C(=O)NC1CCN(CC(F)F)CC1)c1ccc(Br)cc1 ZINC000884204012 653867792 /nfs/dbraw/zinc/86/77/92/653867792.db2.gz LCWSXPCYOLBDRB-AWEZNQCLSA-N 1 0 376.245 2.295 20 0 GEADRO CCOC(=O)c1csc(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884221333 653868339 /nfs/dbraw/zinc/86/83/39/653868339.db2.gz PSSCLLRPKHWAAP-CYBMUJFWSA-N 1 0 398.282 2.399 20 0 GEADRO Cn1cc(C[C@@H]2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)C2)cn1 ZINC000884231943 653868709 /nfs/dbraw/zinc/86/87/09/653868709.db2.gz FEIFFHCJUBMIDM-BLLLJJGKSA-N 1 0 377.286 2.274 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000896213183 653869212 /nfs/dbraw/zinc/86/92/12/653869212.db2.gz UUDJAPCPULCNTF-UHFFFAOYSA-N 1 0 379.448 2.014 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C[C@H]21 ZINC000884247809 653869287 /nfs/dbraw/zinc/86/92/87/653869287.db2.gz FPLDGRRXXFUFQE-RAEVTNRLSA-N 1 0 393.281 2.116 20 0 GEADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3nn4c(c3Br)CCC4)cc2C1 ZINC000884243995 653869359 /nfs/dbraw/zinc/86/93/59/653869359.db2.gz UUQOSQSLSXTENF-JTQLQIEISA-N 1 0 376.258 2.055 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cccc(C)n1 ZINC000793202647 653870707 /nfs/dbraw/zinc/87/07/07/653870707.db2.gz NEEZNPNUGRBXQV-OAHLLOKOSA-N 1 0 382.917 2.240 20 0 GEADRO COCC[C@H]([NH3+])C(=O)NCc1cc(Br)ccc1Br ZINC000884310647 653871676 /nfs/dbraw/zinc/87/16/76/653871676.db2.gz DLJDWCQXWXQNPQ-NSHDSACASA-N 1 0 380.080 2.192 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc2cnsc2c1 ZINC000845953499 653872175 /nfs/dbraw/zinc/87/21/75/653872175.db2.gz MNGRYYFHTHWEDZ-UHFFFAOYSA-N 1 0 380.495 2.439 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000867059178 653872792 /nfs/dbraw/zinc/87/27/92/653872792.db2.gz RSIGUUSZNOKMRC-UHFFFAOYSA-N 1 0 389.315 2.139 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(Br)cc1 ZINC000884335379 653873068 /nfs/dbraw/zinc/87/30/68/653873068.db2.gz QWDAMXSEFDSELE-BPUTZDHNSA-N 1 0 397.313 2.133 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348833 653873740 /nfs/dbraw/zinc/87/37/40/653873740.db2.gz HTVUSMIPCAQMIK-RRFJBIMHSA-N 1 0 383.945 2.434 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(Br)cc1 ZINC000884350751 653873835 /nfs/dbraw/zinc/87/38/35/653873835.db2.gz ZTVHMGIEUFBCFG-KFWWJZLASA-N 1 0 382.302 2.258 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000884378520 653874355 /nfs/dbraw/zinc/87/43/55/653874355.db2.gz VKPHGTPCWRURLC-HNNXBMFYSA-N 1 0 396.329 2.148 20 0 GEADRO [NH3+][C@H](CC1CC1)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000884378303 653874387 /nfs/dbraw/zinc/87/43/87/653874387.db2.gz OADTZLVTMNMREE-OAHLLOKOSA-N 1 0 382.302 2.029 20 0 GEADRO O=C(NCCC1SCCS1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000823623301 653874773 /nfs/dbraw/zinc/87/47/73/653874773.db2.gz ROBCPXHVABNCHG-SFHVURJKSA-N 1 0 381.567 2.119 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884388819 653875014 /nfs/dbraw/zinc/87/50/14/653875014.db2.gz HXRFSLQWDNVCHO-OAHLLOKOSA-N 1 0 381.270 2.037 20 0 GEADRO C[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884389557 653875033 /nfs/dbraw/zinc/87/50/33/653875033.db2.gz BBRSHRZXTGREKA-FOCJUVANSA-N 1 0 384.318 2.063 20 0 GEADRO C[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884389556 653875127 /nfs/dbraw/zinc/87/51/27/653875127.db2.gz BBRSHRZXTGREKA-BCUIYNNISA-N 1 0 384.318 2.063 20 0 GEADRO O=C(c1nn2c(c1Br)CCC2)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000884395242 653875428 /nfs/dbraw/zinc/87/54/28/653875428.db2.gz XDKAGRGNPZWCKF-ZDUSSCGKSA-N 1 0 381.318 2.444 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000845975821 653875544 /nfs/dbraw/zinc/87/55/44/653875544.db2.gz PXOLTYHXZKKIAZ-HUUCEWRRSA-N 1 0 380.917 2.045 20 0 GEADRO CO[C@@H](C[NH3+])C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000884416890 653876088 /nfs/dbraw/zinc/87/60/88/653876088.db2.gz QKJKPBRQZLENPW-LBPRGKRZSA-N 1 0 392.091 2.070 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc3c(Br)cnn3c1)CCO2 ZINC000823672556 653876419 /nfs/dbraw/zinc/87/64/19/653876419.db2.gz BOLVXDXKHOHBOB-UHFFFAOYSA-N 1 0 393.285 2.034 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000884462554 653877408 /nfs/dbraw/zinc/87/74/08/653877408.db2.gz IBTDADYFTNVQLU-HIFRSBDPSA-N 1 0 395.297 2.425 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000823727528 653877724 /nfs/dbraw/zinc/87/77/24/653877724.db2.gz GETJCELHAYPRHP-DZJNRPSUSA-N 1 0 393.325 2.298 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)Br)nc1 ZINC000823727882 653877761 /nfs/dbraw/zinc/87/77/61/653877761.db2.gz QCSIJHRGNCIPLU-LBPRGKRZSA-N 1 0 392.244 2.102 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884470605 653877774 /nfs/dbraw/zinc/87/77/74/653877774.db2.gz UYWLVSHERHAVQA-TXKWRHDYSA-N 1 0 393.281 2.177 20 0 GEADRO COCC[NH+]1CCC(NC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000823750664 653878396 /nfs/dbraw/zinc/87/83/96/653878396.db2.gz UJMBDYJAMLGCET-GFCCVEGCSA-N 1 0 398.139 2.110 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793496251 653879337 /nfs/dbraw/zinc/87/93/37/653879337.db2.gz DDWXHMDDHOOYCR-NSHDSACASA-N 1 0 392.541 2.451 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000896430432 653879662 /nfs/dbraw/zinc/87/96/62/653879662.db2.gz XRZPYWCPTFGQGC-STQMWFEESA-N 1 0 388.990 2.303 20 0 GEADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2cccc(F)c2Br)CC1 ZINC000823789679 653879798 /nfs/dbraw/zinc/87/97/98/653879798.db2.gz PAQOJLCDTXPIFU-UHFFFAOYSA-N 1 0 393.322 2.187 20 0 GEADRO CN(Cn1nccc1-c1ccc(F)c(Cl)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793569365 653879978 /nfs/dbraw/zinc/87/99/78/653879978.db2.gz PSCHMWAQSKWODV-CYBMUJFWSA-N 1 0 386.880 2.266 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1cc2cc(Br)ccc2o1 ZINC000896440677 653880107 /nfs/dbraw/zinc/88/01/07/653880107.db2.gz DBNXXVCNBKFUPL-UHFFFAOYSA-N 1 0 396.285 2.451 20 0 GEADRO Brc1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823832873 653881337 /nfs/dbraw/zinc/88/13/37/653881337.db2.gz XPXNKVMTGXQIEI-CYBMUJFWSA-N 1 0 393.289 2.294 20 0 GEADRO C[C@H](NC(=O)Cc1ccc(Br)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896526492 653882616 /nfs/dbraw/zinc/88/26/16/653882616.db2.gz IHBXREUZBTWICE-XHDPSFHLSA-N 1 0 388.737 2.396 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)C[C@@H]1[NH+]1CCCC1 ZINC000867124679 653883244 /nfs/dbraw/zinc/88/32/44/653883244.db2.gz OPYREVZSWPICJR-WDEREUQCSA-N 1 0 379.910 2.074 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000793718471 653883479 /nfs/dbraw/zinc/88/34/79/653883479.db2.gz ODJRTQRGDQBACK-AWEZNQCLSA-N 1 0 396.329 2.398 20 0 GEADRO CC[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)c1cc(F)cc(Br)c1 ZINC000884660461 653883551 /nfs/dbraw/zinc/88/35/51/653883551.db2.gz TXCQILXSARMVBH-FZQKWOKYSA-N 1 0 386.265 2.104 20 0 GEADRO O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884681936 653884294 /nfs/dbraw/zinc/88/42/94/653884294.db2.gz KMPULVFWFGLMHL-LLVKDONJSA-N 1 0 377.794 2.233 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896550080 653884533 /nfs/dbraw/zinc/88/45/33/653884533.db2.gz QUEDIMONGLEIMQ-CJNGLKHVSA-N 1 0 398.345 2.141 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000884703525 653885352 /nfs/dbraw/zinc/88/53/52/653885352.db2.gz CKRZMEAOGMPRJD-NSHDSACASA-N 1 0 378.270 2.072 20 0 GEADRO C[C@H](NC(=O)c1c(F)cc(Br)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896556505 653885614 /nfs/dbraw/zinc/88/56/14/653885614.db2.gz PRFPJRXWQJYTAC-ZANVPECISA-N 1 0 376.245 2.091 20 0 GEADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCSCCC(F)(F)F)cc1 ZINC000884714019 653885677 /nfs/dbraw/zinc/88/56/77/653885677.db2.gz HOQSUZXAFSCWRB-NSHDSACASA-N 1 0 377.432 2.124 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)C(F)(F)F)n1 ZINC000824083704 653885651 /nfs/dbraw/zinc/88/56/51/653885651.db2.gz AXORVNZRHPQACO-JRPNMDOOSA-N 1 0 379.448 2.436 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccnn1C ZINC000824172750 653887107 /nfs/dbraw/zinc/88/71/07/653887107.db2.gz RCEFVBUGEMGRNW-GFCCVEGCSA-N 1 0 395.301 2.028 20 0 GEADRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000846199621 653891094 /nfs/dbraw/zinc/89/10/94/653891094.db2.gz BORQHZFJXAZEOJ-CYBMUJFWSA-N 1 0 386.539 2.396 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000896691997 653891044 /nfs/dbraw/zinc/89/10/44/653891044.db2.gz AKYZIJHZCMZREA-LLVKDONJSA-N 1 0 390.269 2.269 20 0 GEADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc(Br)[nH]n2)cc1 ZINC000824304997 653891145 /nfs/dbraw/zinc/89/11/45/653891145.db2.gz DHLUUWJGRADJNH-UHFFFAOYSA-N 1 0 380.246 2.315 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000846226961 653891657 /nfs/dbraw/zinc/89/16/57/653891657.db2.gz FMLAWLMMBROLMC-KBAYOESNSA-N 1 0 386.945 2.475 20 0 GEADRO NS(=O)(=O)c1ccsc1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000824336687 653892146 /nfs/dbraw/zinc/89/21/46/653892146.db2.gz PAUZCLDZZISYEV-UHFFFAOYSA-N 1 0 385.555 2.170 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3c(Cl)ccnc3Cl)C2)C1 ZINC000846232536 653892481 /nfs/dbraw/zinc/89/24/81/653892481.db2.gz WJCJNUAQEOATAC-LOWVWBTDSA-N 1 0 394.324 2.295 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000846234149 653892495 /nfs/dbraw/zinc/89/24/95/653892495.db2.gz BCJUCPBJHROGDK-UTUOFQBUSA-N 1 0 394.324 2.438 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000846234340 653892504 /nfs/dbraw/zinc/89/25/04/653892504.db2.gz CZQZZNHCPCBEAZ-RAIGVLPGSA-N 1 0 394.324 2.438 20 0 GEADRO CCn1ncc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000824365414 653892805 /nfs/dbraw/zinc/89/28/05/653892805.db2.gz OIMMLIIGWJHXGO-UHFFFAOYSA-N 1 0 399.333 2.286 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000846264695 653893801 /nfs/dbraw/zinc/89/38/01/653893801.db2.gz PLLSFIXWBNDYOM-IAGOWNOFSA-N 1 0 389.924 2.459 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCc2cc(Br)c(F)cc2C1 ZINC000884924655 653895102 /nfs/dbraw/zinc/89/51/02/653895102.db2.gz IGTZFBWJEFEGMQ-CQSZACIVSA-N 1 0 383.261 2.194 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(C(F)(F)F)cc2F)CC1 ZINC000867212017 653895546 /nfs/dbraw/zinc/89/55/46/653895546.db2.gz AEKUCGPRHZSAHM-UHFFFAOYSA-N 1 0 384.395 2.191 20 0 GEADRO CCO[C@@H]1CN(C(=O)Nc2cnc(Cl)c(Br)c2)C[C@H]1C[NH3+] ZINC000846315872 653895649 /nfs/dbraw/zinc/89/56/49/653895649.db2.gz LMIJOBXJVBXNMW-LDYMZIIASA-N 1 0 377.670 2.325 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000884950723 653897044 /nfs/dbraw/zinc/89/70/44/653897044.db2.gz QOTWUHATZYWYQP-NWDGAFQWSA-N 1 0 389.880 2.343 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884952201 653897443 /nfs/dbraw/zinc/89/74/43/653897443.db2.gz LYVRFHWENITWQV-NEPJUHHUSA-N 1 0 389.315 2.363 20 0 GEADRO COc1cc(Br)c(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1O ZINC000896870621 653897663 /nfs/dbraw/zinc/89/76/63/653897663.db2.gz OTXYYMRSJBYFFH-UHFFFAOYSA-N 1 0 380.304 2.324 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000884956275 653897712 /nfs/dbraw/zinc/89/77/12/653897712.db2.gz ZHOLWAAQYZKYTA-VXGBXAGGSA-N 1 0 389.315 2.363 20 0 GEADRO CN(C)[C@H](CC[NH2+]Cc1cnn2cc(Br)cnc12)C(F)(F)F ZINC000896879427 653897982 /nfs/dbraw/zinc/89/79/82/653897982.db2.gz VKVASBZVUUJJNM-LLVKDONJSA-N 1 0 380.212 2.464 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000884958876 653898146 /nfs/dbraw/zinc/89/81/46/653898146.db2.gz FSGIMASBPBYCEC-VXGBXAGGSA-N 1 0 387.889 2.423 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnc(Cl)c(Br)c1 ZINC000884957220 653898260 /nfs/dbraw/zinc/89/82/60/653898260.db2.gz MTEHNHUBXKKDPN-UWVGGRQHSA-N 1 0 394.722 2.403 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000896921267 653899575 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C[NH+]1CCC(ONC(=O)c2cc(F)c(F)cc2I)CC1 ZINC000846646393 653905493 /nfs/dbraw/zinc/90/54/93/653905493.db2.gz CBUFLIKEYRWPEN-UHFFFAOYSA-N 1 0 396.175 2.325 20 0 GEADRO C[NH+](C)CCn1c2cc(C(=O)NCCC3SCCS3)ccc2[nH]c1=O ZINC000824711869 653906007 /nfs/dbraw/zinc/90/60/07/653906007.db2.gz JKPSEPBWCRHULL-UHFFFAOYSA-N 1 0 380.539 2.230 20 0 GEADRO Cc1ccc(I)cc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000846684244 653906301 /nfs/dbraw/zinc/90/63/01/653906301.db2.gz HYQADRFLWKZGIL-UHFFFAOYSA-N 1 0 382.205 2.221 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)C1 ZINC000846722047 653907655 /nfs/dbraw/zinc/90/76/55/653907655.db2.gz PVUXBHAVDJPRKE-LTCOOKNTSA-N 1 0 375.916 2.292 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2I)C1 ZINC000897101221 653907998 /nfs/dbraw/zinc/90/79/98/653907998.db2.gz JJFCZVHOMJCOCI-NSHDSACASA-N 1 0 390.269 2.112 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(C)cnc2Cl)C1 ZINC000885040804 653908421 /nfs/dbraw/zinc/90/84/21/653908421.db2.gz NJIXCJQPBJVVHK-CQSZACIVSA-N 1 0 375.922 2.165 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000867282935 653908793 /nfs/dbraw/zinc/90/87/93/653908793.db2.gz XOXKFEKARKWHMG-CQSZACIVSA-N 1 0 387.373 2.333 20 0 GEADRO CC(C)[N@H+](C[C@H](O)COc1ccc(CC(N)=O)cc1)CC1(Br)CC1 ZINC000846835936 653911299 /nfs/dbraw/zinc/91/12/99/653911299.db2.gz MSGIWWZWOVMAQN-HNNXBMFYSA-N 1 0 399.329 2.092 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000867308792 653912918 /nfs/dbraw/zinc/91/29/18/653912918.db2.gz MZYLECSEFVEHLT-JOYOIKCWSA-N 1 0 395.294 2.310 20 0 GEADRO COc1cc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc(OC)c1Br ZINC000897310497 653915656 /nfs/dbraw/zinc/91/56/56/653915656.db2.gz WIVISXMSGREYFE-GFCCVEGCSA-N 1 0 385.258 2.126 20 0 GEADRO COc1c[nH+]ccc1N1CCN(Cn2nc(C)c(Br)c2C)CC1 ZINC000794699411 653916746 /nfs/dbraw/zinc/91/67/46/653916746.db2.gz JHEDAZTYAFFVOL-UHFFFAOYSA-N 1 0 380.290 2.446 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)[C@]2(C)CC2(Br)Br)cn1 ZINC000825083177 653916950 /nfs/dbraw/zinc/91/69/50/653916950.db2.gz CQMOFQQAUPWCSM-NSHDSACASA-N 1 0 394.111 2.279 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000825089132 653917301 /nfs/dbraw/zinc/91/73/01/653917301.db2.gz WCESYTVWXZUVCS-AWEZNQCLSA-N 1 0 387.705 2.317 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3nnn(C)c3C2)cc1Br ZINC000897348388 653917341 /nfs/dbraw/zinc/91/73/41/653917341.db2.gz FLLLKYVIYRJXLG-NSHDSACASA-N 1 0 379.258 2.011 20 0 GEADRO CCOc1cc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc(Br)c1O ZINC000897347692 653917352 /nfs/dbraw/zinc/91/73/52/653917352.db2.gz RHQNWEPUNAPPTA-LLVKDONJSA-N 1 0 381.274 2.329 20 0 GEADRO CS[C@H]1CN(C(=O)c2nn3c(c2Br)CCC3)C[C@H]1[NH+]1CCCC1 ZINC000897377240 653918511 /nfs/dbraw/zinc/91/85/11/653918511.db2.gz LSNCDVZVHRAZGP-OLZOCXBDSA-N 1 0 399.358 2.244 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000885249377 653920323 /nfs/dbraw/zinc/92/03/23/653920323.db2.gz RCJRNVIGEZLLMA-GOSISDBHSA-N 1 0 384.307 2.254 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)/C=C\c1ccc(I)o1)C(F)(F)F ZINC000825202085 653920935 /nfs/dbraw/zinc/92/09/35/653920935.db2.gz PFXBTEVIZUJROX-DLRBJTRDSA-N 1 0 388.127 2.293 20 0 GEADRO [NH3+]CC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(F)(F)F ZINC000825202064 653921059 /nfs/dbraw/zinc/92/10/59/653921059.db2.gz PBDFOCMNZCZFFB-AAEUAGOBSA-N 1 0 377.794 2.084 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000897459176 653922629 /nfs/dbraw/zinc/92/26/29/653922629.db2.gz JDXHIUCXQZVUJT-ABAIWWIYSA-N 1 0 388.281 2.263 20 0 GEADRO CCn1ncc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1Br ZINC000825258127 653922937 /nfs/dbraw/zinc/92/29/37/653922937.db2.gz ITXQENDAYPKYAJ-UHFFFAOYSA-N 1 0 381.278 2.381 20 0 GEADRO C[NH+]1CCC(n2cc(NC(=O)c3cc(N)nc(Br)c3)cn2)CC1 ZINC000825257860 653922956 /nfs/dbraw/zinc/92/29/56/653922956.db2.gz HBHGEJFIDNCORW-UHFFFAOYSA-N 1 0 379.262 2.142 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000897471087 653923407 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GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(OC(F)(F)F)cc2Br)C1 ZINC000867419449 653930213 /nfs/dbraw/zinc/93/02/13/653930213.db2.gz JNVBWKDUBIOXGO-ZDUSSCGKSA-N 1 0 397.191 2.144 20 0 GEADRO CN(C(=O)c1nc(F)ccc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000847484330 653930368 /nfs/dbraw/zinc/93/03/68/653930368.db2.gz BHFKMNOQNZDPBP-CYBMUJFWSA-N 1 0 399.308 2.224 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2nc(F)ccc2Br)CC1 ZINC000847488872 653930745 /nfs/dbraw/zinc/93/07/45/653930745.db2.gz LKMFSTNMDFLUHQ-UHFFFAOYSA-N 1 0 387.297 2.131 20 0 GEADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795117908 653932488 /nfs/dbraw/zinc/93/24/88/653932488.db2.gz YGWUYOYVHLVJQF-NSHDSACASA-N 1 0 389.315 2.442 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000885456723 653933617 /nfs/dbraw/zinc/93/36/17/653933617.db2.gz FDFFYOMJITVFNR-OLZOCXBDSA-N 1 0 386.901 2.374 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=S)Nc2ccc(Cl)nc2)CC1 ZINC000795143634 653934082 /nfs/dbraw/zinc/93/40/82/653934082.db2.gz KQOANQYWVRMBIL-UHFFFAOYSA-N 1 0 386.949 2.491 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(c2nccc3ccc(Br)cc32)CC1 ZINC000825574478 653934344 /nfs/dbraw/zinc/93/43/44/653934344.db2.gz UGPCPJWCBHYUGS-UHFFFAOYSA-N 1 0 377.286 2.208 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000825625840 653935562 /nfs/dbraw/zinc/93/55/62/653935562.db2.gz OLXFNGUSUBCCAS-YPMHNXCESA-N 1 0 380.286 2.475 20 0 GEADRO C[N@@H+]1CC[C@H](C(=O)NCCn2cc(Br)cn2)[C@@H]1c1ccccc1 ZINC000897748512 653935899 /nfs/dbraw/zinc/93/58/99/653935899.db2.gz YYAKDMBWTNQNIK-HOTGVXAUSA-N 1 0 377.286 2.455 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897927674 653944807 /nfs/dbraw/zinc/94/48/07/653944807.db2.gz PIKQLJDRSHGCAN-KDOFPFPSSA-N 1 0 399.304 2.341 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000867525533 653945312 /nfs/dbraw/zinc/94/53/12/653945312.db2.gz WDXAUQLKSMTSNF-UHFFFAOYSA-N 1 0 379.592 2.325 20 0 GEADRO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977999 653946867 /nfs/dbraw/zinc/94/68/67/653946867.db2.gz JWSHXYIDJYUYGF-LSDHHAIUSA-N 1 0 398.301 2.129 20 0 GEADRO C[C@H]1CN(C(=O)c2cnc(Cl)c(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000847848598 653947660 /nfs/dbraw/zinc/94/76/60/653947660.db2.gz RRHQIKDJEKVOIH-JTQLQIEISA-N 1 0 390.709 2.415 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CCO1 ZINC000867537240 653948106 /nfs/dbraw/zinc/94/81/06/653948106.db2.gz FHVTUKXCYZKJFI-LBPRGKRZSA-N 1 0 382.313 2.120 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCN(C)CC3)c(Br)c2)C1 ZINC000847872822 653950284 /nfs/dbraw/zinc/95/02/84/653950284.db2.gz OFYVGBJRGLDZBU-CQSZACIVSA-N 1 0 395.345 2.481 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000898036333 653950594 /nfs/dbraw/zinc/95/05/94/653950594.db2.gz CGEDGHKKLJNDND-YPMHNXCESA-N 1 0 380.286 2.475 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000898030192 653950599 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C[C@H](CNC(=O)c1cc2ncc(Br)cn2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000900203424 654053471 /nfs/dbraw/zinc/05/34/71/654053471.db2.gz ALYDEJAEFVRXLZ-VXGBXAGGSA-N 1 0 380.290 2.342 20 0 GEADRO O=C([C@@H](O)c1cccc(Br)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000900226735 654054352 /nfs/dbraw/zinc/05/43/52/654054352.db2.gz GSRVRLRAWDMLQV-KRWDZBQOSA-N 1 0 397.313 2.053 20 0 GEADRO CCC1([NH+]2CCCC2)CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 ZINC000868762505 654054931 /nfs/dbraw/zinc/05/49/31/654054931.db2.gz PASBSYIYTDNXIX-VWLOTQADSA-N 1 0 383.480 2.347 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868807529 654056926 /nfs/dbraw/zinc/05/69/26/654056926.db2.gz RNYMVVVORUPKTG-SMDDNHRTSA-N 1 0 383.290 2.088 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000868861445 654059019 /nfs/dbraw/zinc/05/90/19/654059019.db2.gz KBHSDDHYWFFORZ-UHFFFAOYSA-N 1 0 398.301 2.185 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)c2c(C)[nH]nc2I)CC1 ZINC000900322091 654059231 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C[C@H]([NH2+]CCC(C)(C)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850531951 654081544 /nfs/dbraw/zinc/08/15/44/654081544.db2.gz OSWWEHXAGOAAGR-LBPRGKRZSA-N 1 0 380.507 2.201 20 0 GEADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900812171 654082393 /nfs/dbraw/zinc/08/23/93/654082393.db2.gz SKHNXSLXJUPGJD-KOLCDFICSA-N 1 0 396.504 2.356 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000799026210 654082816 /nfs/dbraw/zinc/08/28/16/654082816.db2.gz NZCJTBYTGYTVNU-UHFFFAOYSA-N 1 0 387.933 2.148 20 0 GEADRO C[C@H]([NH2+]CC1SCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000850561218 654083214 /nfs/dbraw/zinc/08/32/14/654083214.db2.gz RGLUCJCPRDPYGZ-ZDUSSCGKSA-N 1 0 388.580 2.164 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000850587741 654083879 /nfs/dbraw/zinc/08/38/79/654083879.db2.gz IQIPFDMGLYCCCY-OAHLLOKOSA-N 1 0 391.306 2.494 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000850588404 654083937 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C[NH+](C)CCCN(C(=O)CC(C)(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000900979466 654100661 /nfs/dbraw/zinc/10/06/61/654100661.db2.gz CCUOTRMAADYZRG-ZDUSSCGKSA-N 1 0 386.480 2.323 20 0 GEADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000850753677 654104362 /nfs/dbraw/zinc/10/43/62/654104362.db2.gz BIHGPTLXASXFFG-QMMMGPOBSA-N 1 0 376.820 2.316 20 0 GEADRO Cn1cc(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c(Br)n1 ZINC000888816729 654106232 /nfs/dbraw/zinc/10/62/32/654106232.db2.gz FOBLDTPSLXFJMP-UHFFFAOYSA-N 1 0 395.301 2.096 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H](O)c1cccc(Br)c1 ZINC000901161418 654112807 /nfs/dbraw/zinc/11/28/07/654112807.db2.gz CDCCOIABOJBTDU-NCOADZHNSA-N 1 0 397.313 2.193 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cnc(Cl)c(Br)c1)[N@H+](C)C1CC1 ZINC000830372491 654113292 /nfs/dbraw/zinc/11/32/92/654113292.db2.gz XHSHUONSKLVGQQ-MRVPVSSYSA-N 1 0 382.711 2.259 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cnc(F)c(Br)c1 ZINC000869761534 654120519 /nfs/dbraw/zinc/12/05/19/654120519.db2.gz SWDRXWOPGKYAJZ-UHFFFAOYSA-N 1 0 388.281 2.414 20 0 GEADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c(-c2ccc(Cl)s2)n1 ZINC000869778572 654122487 /nfs/dbraw/zinc/12/24/87/654122487.db2.gz KYYJHFOZDLIVQG-NSHDSACASA-N 1 0 382.917 2.377 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000869778865 654122587 /nfs/dbraw/zinc/12/25/87/654122587.db2.gz LHINMLRHMUHXJR-ZDUSSCGKSA-N 1 0 394.313 2.434 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3cc(Br)ccc32)C1 ZINC000869776559 654122605 /nfs/dbraw/zinc/12/26/05/654122605.db2.gz NCWWHBCSKPIQDQ-HOCLYGCPSA-N 1 0 381.314 2.440 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCc2cccc(F)c2Br)C1 ZINC000869778150 654122684 /nfs/dbraw/zinc/12/26/84/654122684.db2.gz YRKAERLABLQQJT-ZDUSSCGKSA-N 1 0 387.293 2.482 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869780760 654123269 /nfs/dbraw/zinc/12/32/69/654123269.db2.gz RHRXYVMANSWFLW-JSGCOSHPSA-N 1 0 385.302 2.178 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cnc(Cl)c(F)c1 ZINC000869832841 654126290 /nfs/dbraw/zinc/12/62/90/654126290.db2.gz PHUUTNJVQJEJIE-LBPRGKRZSA-N 1 0 375.828 2.372 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000889157789 654126816 /nfs/dbraw/zinc/12/68/16/654126816.db2.gz GJZSOLXSXMNHCV-XFBWCDHKSA-N 1 0 395.297 2.329 20 0 GEADRO Cn1nc(C(F)(F)F)c(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Cl ZINC000889193716 654128297 /nfs/dbraw/zinc/12/82/97/654128297.db2.gz URXLXAFRXPLSGA-RKDXNWHRSA-N 1 0 381.786 2.077 20 0 GEADRO CC[NH+](CC)CCCOC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000800099592 654129187 /nfs/dbraw/zinc/12/91/87/654129187.db2.gz ROGTZYOKZJCCPF-UHFFFAOYSA-N 1 0 397.269 2.320 20 0 GEADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000917641072 654129449 /nfs/dbraw/zinc/12/94/49/654129449.db2.gz VXUVCINXPHAUEY-AWEZNQCLSA-N 1 0 386.323 2.208 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)[C@@H](C)CN1CCO ZINC000889208738 654131300 /nfs/dbraw/zinc/13/13/00/654131300.db2.gz SPDGZKXGCOPKTR-BDAKNGLRSA-N 1 0 383.802 2.011 20 0 GEADRO CN(C)[C@@H](CC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C(F)(F)F ZINC000901593854 654133290 /nfs/dbraw/zinc/13/32/90/654133290.db2.gz SQDUBOJWFHBOBZ-RYUDHWBXSA-N 1 0 382.224 2.448 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000901606442 654133785 /nfs/dbraw/zinc/13/37/85/654133785.db2.gz FLPZMMGRBMBTMS-CABCVRRESA-N 1 0 383.286 2.293 20 0 GEADRO Cc1c(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000800308984 654140121 /nfs/dbraw/zinc/14/01/21/654140121.db2.gz AJCJLXNLPOTDAO-UONOGXRCSA-N 1 0 382.555 2.424 20 0 GEADRO Cn1cc([C@@]2(C[NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)CCCO2)cn1 ZINC000901686831 654140515 /nfs/dbraw/zinc/14/05/15/654140515.db2.gz VHXIYGHWTXDFNB-WBVHZDCISA-N 1 0 393.285 2.005 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC000830813182 654143927 /nfs/dbraw/zinc/14/39/27/654143927.db2.gz ZVIPNRFAKRHPOE-UHFFFAOYSA-N 1 0 376.469 2.416 20 0 GEADRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901730404 654144437 /nfs/dbraw/zinc/14/44/37/654144437.db2.gz XBEPCDABZSIHMW-NWDGAFQWSA-N 1 0 395.305 2.355 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000918350880 654149149 /nfs/dbraw/zinc/14/91/49/654149149.db2.gz FSUUGNDSWIVUEZ-CALCHBBNSA-N 1 0 386.901 2.089 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1Cl ZINC000918360509 654149194 /nfs/dbraw/zinc/14/91/94/654149194.db2.gz SPSXKXYODOHGGB-IRXDYDNUSA-N 1 0 386.901 2.089 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000918368443 654149797 /nfs/dbraw/zinc/14/97/97/654149797.db2.gz JQDFNNCOHVXPAL-CALCHBBNSA-N 1 0 386.901 2.089 20 0 GEADRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)Cc3ncsc3Br)C[C@@]2(C)C1 ZINC000918369540 654149859 /nfs/dbraw/zinc/14/98/59/654149859.db2.gz SIBWBMPYHJMKRC-CHWSQXEVSA-N 1 0 394.360 2.009 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000918582451 654154836 /nfs/dbraw/zinc/15/48/36/654154836.db2.gz SPASOJNRTIXKOR-KGLIPLIRSA-N 1 0 376.400 2.337 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3nn4c(c3Br)CCC4)C2)CC1 ZINC000889712099 654160405 /nfs/dbraw/zinc/16/04/05/654160405.db2.gz FCBVBVQAQOEYTG-ZDUSSCGKSA-N 1 0 381.318 2.396 20 0 GEADRO O=C(c1cnc(CCC(F)(F)F)s1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889740108 654165570 /nfs/dbraw/zinc/16/55/70/654165570.db2.gz TZOAZVMJEUIRKJ-NWDGAFQWSA-N 1 0 377.432 2.309 20 0 GEADRO O=C(c1ccc(Br)c(F)c1F)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889742721 654165724 /nfs/dbraw/zinc/16/57/24/654165724.db2.gz BCGMTPGSMBWUJY-CHWSQXEVSA-N 1 0 389.240 2.399 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1Cl ZINC000918948196 654166309 /nfs/dbraw/zinc/16/63/09/654166309.db2.gz XUMPTWHKPBNEDH-OAHLLOKOSA-N 1 0 397.324 2.079 20 0 GEADRO O=C(c1ccc(SC(F)(F)F)nc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889745311 654166222 /nfs/dbraw/zinc/16/62/22/654166222.db2.gz STJBOGLANYMIGC-OLZOCXBDSA-N 1 0 375.416 2.365 20 0 GEADRO O=C(c1ccc(SC(F)(F)F)nc1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889745313 654166311 /nfs/dbraw/zinc/16/63/11/654166311.db2.gz STJBOGLANYMIGC-STQMWFEESA-N 1 0 375.416 2.365 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc2sccc2nc1Cl ZINC000851635152 654166711 /nfs/dbraw/zinc/16/67/11/654166711.db2.gz HSZQZFUQLAVGFK-NSHDSACASA-N 1 0 380.901 2.409 20 0 GEADRO Nc1c(Cl)c(F)cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1Cl ZINC000889750841 654167048 /nfs/dbraw/zinc/16/70/48/654167048.db2.gz QLXPDXDLEAFPDT-RYUDHWBXSA-N 1 0 376.259 2.386 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)C[C@@H]21 ZINC000851636217 654167108 /nfs/dbraw/zinc/16/71/08/654167108.db2.gz UOUIMHJXEQMURD-FPMFFAJLSA-N 1 0 376.400 2.180 20 0 GEADRO [NH3+]CCCCCCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000831155358 654167531 /nfs/dbraw/zinc/16/75/31/654167531.db2.gz HKISUGRUUPFIEA-OAHLLOKOSA-N 1 0 397.317 2.373 20 0 GEADRO Cc1cc([C@@H]([NH3+])CC(=O)NCC2(S(C)(=O)=O)CCCCC2)cc(Cl)n1 ZINC000851644287 654167552 /nfs/dbraw/zinc/16/75/52/654167552.db2.gz NPDFLNMSZYCELT-AWEZNQCLSA-N 1 0 387.933 2.297 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889757692 654169027 /nfs/dbraw/zinc/16/90/27/654169027.db2.gz UVGDMWLAWVEPGP-DLBZAZTESA-N 1 0 381.314 2.358 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889761566 654169361 /nfs/dbraw/zinc/16/93/61/654169361.db2.gz LPZCKVTYFPDDHM-SJORKVTESA-N 1 0 381.314 2.358 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889761564 654169503 /nfs/dbraw/zinc/16/95/03/654169503.db2.gz LPZCKVTYFPDDHM-IAGOWNOFSA-N 1 0 381.314 2.358 20 0 GEADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889763399 654169911 /nfs/dbraw/zinc/16/99/11/654169911.db2.gz RYSQYOZEXLNKSJ-ULQDDVLXSA-N 1 0 387.307 2.475 20 0 GEADRO O=C([O-])C[NH+]1CCC([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000902308987 654172801 /nfs/dbraw/zinc/17/28/01/654172801.db2.gz RHKMHBLAZNSWHS-UHFFFAOYSA-N 1 0 381.782 2.271 20 0 GEADRO CC[NH+]1CCC(NC(=O)COc2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000902322340 654173216 /nfs/dbraw/zinc/17/32/16/654173216.db2.gz ILYWMVQDGFOWOA-UHFFFAOYSA-N 1 0 399.285 2.215 20 0 GEADRO O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@]1(F)CC[NH2+]C1 ZINC000831236059 654173576 /nfs/dbraw/zinc/17/35/76/654173576.db2.gz RUOPKJNADMJGEY-QMTHXVAHSA-N 1 0 380.773 2.150 20 0 GEADRO O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC1(Br)CC1 ZINC000902338376 654175098 /nfs/dbraw/zinc/17/50/98/654175098.db2.gz QIBYGKFETJXFEF-QGZVFWFLSA-N 1 0 378.270 2.110 20 0 GEADRO C[C@@H](C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000889812222 654175398 /nfs/dbraw/zinc/17/53/98/654175398.db2.gz SSVHOIWOAGCYLW-MIJXAVMKSA-N 1 0 395.301 2.085 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000851774678 654176075 /nfs/dbraw/zinc/17/60/75/654176075.db2.gz ZLSQKANTPCERPP-NSHDSACASA-N 1 0 380.319 2.089 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000851775192 654176368 /nfs/dbraw/zinc/17/63/68/654176368.db2.gz OUFQHBCTWKCYRP-MRXNPFEDSA-N 1 0 391.836 2.437 20 0 GEADRO CCN(C[C@H]1CC[N@H+](CCn2cnc(Br)n2)C1)CC(F)(F)F ZINC000851797631 654178922 /nfs/dbraw/zinc/17/89/22/654178922.db2.gz SQLWMPUGPLTFIB-LLVKDONJSA-N 1 0 384.244 2.247 20 0 GEADRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC000831333416 654179282 /nfs/dbraw/zinc/17/92/82/654179282.db2.gz PUYWBQZNXKNAPV-STQMWFEESA-N 1 0 376.425 2.025 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc2cc(Br)ccc2c1 ZINC000831362544 654180530 /nfs/dbraw/zinc/18/05/30/654180530.db2.gz IFIBYEZHHVTQAL-OAHLLOKOSA-N 1 0 376.254 2.409 20 0 GEADRO Cc1c(Cl)c(C(=O)N2CCC([NH2+]C3CCC3)CC2)sc1S(N)(=O)=O ZINC000889826145 654181812 /nfs/dbraw/zinc/18/18/12/654181812.db2.gz JRVRVRYDIXZPMU-UHFFFAOYSA-N 1 0 391.946 2.104 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889839190 654182102 /nfs/dbraw/zinc/18/21/02/654182102.db2.gz XYCUMXWUJICKIV-UHFFFAOYSA-N 1 0 394.313 2.312 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N2CCC([NH2+]C3CCC3)CC2)ccc1Cl ZINC000889833604 654182146 /nfs/dbraw/zinc/18/21/46/654182146.db2.gz IHIONHXAUQGWAZ-UHFFFAOYSA-N 1 0 385.917 2.458 20 0 GEADRO COc1ccc(C2([NH2+]CCn3cnc(Br)n3)CCOCC2)cc1 ZINC000851840703 654189223 /nfs/dbraw/zinc/18/92/23/654189223.db2.gz WDHPWRBPJKDSOS-UHFFFAOYSA-N 1 0 381.274 2.345 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)nc1Br ZINC000889968423 654189939 /nfs/dbraw/zinc/18/99/39/654189939.db2.gz HPBSHKIZGOEONZ-SWLSCSKDSA-N 1 0 377.286 2.433 20 0 GEADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)s1 ZINC000831569558 654191658 /nfs/dbraw/zinc/19/16/58/654191658.db2.gz BXLZGSNHALCYKI-WDEREUQCSA-N 1 0 376.400 2.377 20 0 GEADRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCn1cnc(Br)n1 ZINC000851865623 654194562 /nfs/dbraw/zinc/19/45/62/654194562.db2.gz WBZAOUOVKMMJRZ-RYUDHWBXSA-N 1 0 388.310 2.276 20 0 GEADRO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1nn(C)cc1I ZINC000870783942 654196156 /nfs/dbraw/zinc/19/61/56/654196156.db2.gz BJCXSWYICNDMFB-QWRGUYRKSA-N 1 0 391.253 2.444 20 0 GEADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000851878550 654198280 /nfs/dbraw/zinc/19/82/80/654198280.db2.gz CMBXTLOWOJVNAN-OAHLLOKOSA-N 1 0 387.933 2.140 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cnc1Cl ZINC000851879950 654198802 /nfs/dbraw/zinc/19/88/02/654198802.db2.gz NYVVSADXYAIAKF-CQSZACIVSA-N 1 0 387.933 2.307 20 0 GEADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1cncc(Br)c1 ZINC000851879677 654198849 /nfs/dbraw/zinc/19/88/49/654198849.db2.gz NIDBPJHDDICGNG-UHFFFAOYSA-N 1 0 388.331 2.244 20 0 GEADRO O=C(Cc1ccc(Cl)cc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000831682928 654199466 /nfs/dbraw/zinc/19/94/66/654199466.db2.gz LFEPYGDECMCEJB-CQSZACIVSA-N 1 0 386.721 2.151 20 0 GEADRO CCO[C@@H](CNC(=O)[C@H](OC)c1ccc(Br)s1)C[NH+](C)C ZINC000831695279 654200520 /nfs/dbraw/zinc/20/05/20/654200520.db2.gz KQRGWAVBHLJKCN-GXFFZTMASA-N 1 0 379.320 2.281 20 0 GEADRO CCO[C@@H](CNC(=O)c1cc2cc(Br)cnc2n1C)C[NH+](C)C ZINC000831696415 654200826 /nfs/dbraw/zinc/20/08/26/654200826.db2.gz XKAZHJDACNESRZ-ZDUSSCGKSA-N 1 0 383.290 2.032 20 0 GEADRO CCCC(=O)NC1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870866311 654201121 /nfs/dbraw/zinc/20/11/21/654201121.db2.gz RJMDYQMSWOZJFY-INIZCTEOSA-N 1 0 382.302 2.356 20 0 GEADRO CCO[C@@H](CNC(=O)c1nn(C(C)(C)C)cc1Br)C[NH+](C)C ZINC000831707920 654201473 /nfs/dbraw/zinc/20/14/73/654201473.db2.gz OUGICLQBVNCZBI-NSHDSACASA-N 1 0 375.311 2.097 20 0 GEADRO O=C(CC[NH2+]CC1CC1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000870878675 654201956 /nfs/dbraw/zinc/20/19/56/654201956.db2.gz PCMZAVPSNGJDKO-UHFFFAOYSA-N 1 0 382.302 2.075 20 0 GEADRO [NH3+][C@H]1CC[C@H](C(=O)NCCCNC(=O)c2cccc(Br)c2)CC1 ZINC000870877321 654202054 /nfs/dbraw/zinc/20/20/54/654202054.db2.gz NWPNMDDWZOAHDM-NNUKFRKNSA-N 1 0 382.302 2.203 20 0 GEADRO O=C(NC1CCN(CC(F)(F)F)CC1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870877938 654202061 /nfs/dbraw/zinc/20/20/61/654202061.db2.gz ULSCBELGLWJZTP-UHFFFAOYSA-N 1 0 376.448 2.367 20 0 GEADRO CC(C)C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)C1CCOCC1 ZINC000902886295 654202287 /nfs/dbraw/zinc/20/22/87/654202287.db2.gz MNSKZMPBZXTASE-JKSUJKDBSA-N 1 0 375.556 2.314 20 0 GEADRO CCO[C@H](CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)C[NH+](C)C ZINC000831718691 654202532 /nfs/dbraw/zinc/20/25/32/654202532.db2.gz NJYOJDUOUCOSDO-MRXNPFEDSA-N 1 0 397.313 2.133 20 0 GEADRO CCO[C@@H](CNC(=O)c1c(F)cccc1I)C[NH+](C)C ZINC000831737178 654204857 /nfs/dbraw/zinc/20/48/57/654204857.db2.gz DXUXEJHUAMCVBX-JTQLQIEISA-N 1 0 394.228 2.127 20 0 GEADRO NC(=O)[C@@](O)(CN1CCc2cc(Br)cc(F)c2C1)c1ccccc1 ZINC000851905724 654205168 /nfs/dbraw/zinc/20/51/68/654205168.db2.gz ODQQPQCAQHSSDZ-GOSISDBHSA-N 1 0 393.256 2.319 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000851921147 654205962 /nfs/dbraw/zinc/20/59/62/654205962.db2.gz KSSJNFOLHXOUTP-DOMZBBRYSA-N 1 0 394.430 2.293 20 0 GEADRO C[C@@H](N1CCN(C(=O)c2csc(C3CC[NH2+]CC3)n2)CC1)C(F)(F)F ZINC000870901097 654206070 /nfs/dbraw/zinc/20/60/70/654206070.db2.gz ORFSRRUYWWMMJJ-LLVKDONJSA-N 1 0 376.448 2.319 20 0 GEADRO CCO[C@H](CNC(=O)c1csc(I)c1)C[NH+](C)C ZINC000831752333 654206835 /nfs/dbraw/zinc/20/68/35/654206835.db2.gz XOLATMJTILHEPR-SNVBAGLBSA-N 1 0 382.267 2.049 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000851941689 654207398 /nfs/dbraw/zinc/20/73/98/654207398.db2.gz MRSPENJYYLQAEJ-UONOGXRCSA-N 1 0 377.447 2.406 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902987201 654207530 /nfs/dbraw/zinc/20/75/30/654207530.db2.gz FGNDNOOTGFOXQO-WCQYABFASA-N 1 0 380.436 2.022 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)cc(Cl)c1)C2 ZINC000920273274 654208106 /nfs/dbraw/zinc/20/81/06/654208106.db2.gz FSCCTMKUWXMKEY-WCXIOVBPSA-N 1 0 390.908 2.237 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000870933837 654208853 /nfs/dbraw/zinc/20/88/53/654208853.db2.gz YMXXMAMKPKORDB-BBRMVZONSA-N 1 0 382.302 2.084 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(Br)c1 ZINC000870931632 654208933 /nfs/dbraw/zinc/20/89/33/654208933.db2.gz YVHIIJVBTNZOBK-CWRNSKLLSA-N 1 0 397.313 2.133 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(Cl)c1 ZINC000920281872 654209053 /nfs/dbraw/zinc/20/90/53/654209053.db2.gz IGKCXPOTFMVSEI-JOCBIADPSA-N 1 0 386.945 2.406 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(Cl)c1 ZINC000920281877 654209083 /nfs/dbraw/zinc/20/90/83/654209083.db2.gz IGKCXPOTFMVSEI-XYVMCAHJSA-N 1 0 386.945 2.406 20 0 GEADRO CC(C)n1ncc(C(=O)NC[C@H]([NH3+])c2ccccc2)c1I ZINC000870934849 654209229 /nfs/dbraw/zinc/20/92/29/654209229.db2.gz GSIHEGNAULBMTN-ZDUSSCGKSA-N 1 0 398.248 2.498 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC=C(Cl)Cl)C2)[C@H]1C(C)C ZINC000920309669 654209647 /nfs/dbraw/zinc/20/96/47/654209647.db2.gz LPUXEWAZWJHZBJ-GBOPCIDUSA-N 1 0 385.357 2.095 20 0 GEADRO OC[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccccc1OC(F)(F)F ZINC000852002828 654211457 /nfs/dbraw/zinc/21/14/57/654211457.db2.gz WOFGOMYBGXGDQB-SNVBAGLBSA-N 1 0 395.179 2.262 20 0 GEADRO CC(C)(C)N1C[C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1=O ZINC000870956254 654214248 /nfs/dbraw/zinc/21/42/48/654214248.db2.gz OGGRVFXKUCNQDQ-NHYWBVRUSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903076643 654214686 /nfs/dbraw/zinc/21/46/86/654214686.db2.gz SZLNRSQWZOFKBW-GXTWGEPZSA-N 1 0 380.432 2.087 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903076645 654214928 /nfs/dbraw/zinc/21/49/28/654214928.db2.gz SZLNRSQWZOFKBW-OCCSQVGLSA-N 1 0 380.432 2.087 20 0 GEADRO Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Br)n1 ZINC000890326239 654215149 /nfs/dbraw/zinc/21/51/49/654215149.db2.gz AHNDSXNTCNLYCM-GASCZTMLSA-N 1 0 389.297 2.387 20 0 GEADRO CSc1ccc(Cl)c(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000871003011 654215732 /nfs/dbraw/zinc/21/57/32/654215732.db2.gz YGEIIOPUCMMIPS-KMUNFCNLSA-N 1 0 381.885 2.069 20 0 GEADRO COC[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000871009291 654216162 /nfs/dbraw/zinc/21/61/62/654216162.db2.gz LPAYIBZWQOKISO-IUODEOHRSA-N 1 0 393.285 2.367 20 0 GEADRO COC[C@H](NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000871009290 654216301 /nfs/dbraw/zinc/21/63/01/654216301.db2.gz LPAYIBZWQOKISO-DOMZBBRYSA-N 1 0 393.285 2.367 20 0 GEADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000802138732 654216629 /nfs/dbraw/zinc/21/66/29/654216629.db2.gz OBKBGZZYZZKHOK-CYBMUJFWSA-N 1 0 389.279 2.376 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[S@@](=O)CC(F)(F)F)C1 ZINC000852090364 654217650 /nfs/dbraw/zinc/21/76/50/654217650.db2.gz ZNNQPLQRRPDEAG-ZJWNCGCPSA-N 1 0 385.496 2.497 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000852112410 654218622 /nfs/dbraw/zinc/21/86/22/654218622.db2.gz MXBPVTYPVJOSDK-IKGGRYGDSA-N 1 0 375.377 2.371 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000903126378 654219160 /nfs/dbraw/zinc/21/91/60/654219160.db2.gz SWDQEKJWBPIKEY-ZOWXZIJZSA-N 1 0 380.432 2.350 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cnn(CC2CCC2)c1 ZINC000903127798 654219325 /nfs/dbraw/zinc/21/93/25/654219325.db2.gz LSMWTGKRNPCJLH-CZUORRHYSA-N 1 0 383.539 2.230 20 0 GEADRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000903165479 654223026 /nfs/dbraw/zinc/22/30/26/654223026.db2.gz UMESLCAVNNPTDG-LLVKDONJSA-N 1 0 376.404 2.209 20 0 GEADRO CS(=O)(=O)c1cc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)cc(C(F)(F)F)c1 ZINC000903167486 654223499 /nfs/dbraw/zinc/22/34/99/654223499.db2.gz ZEIOQEVWGHQKTE-HUUCEWRRSA-N 1 0 379.400 2.147 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)CCCCC[NH3+])C2=O)ccc1Br ZINC000832012916 654224796 /nfs/dbraw/zinc/22/47/96/654224796.db2.gz CPFPQLGYVJWIRQ-HNNXBMFYSA-N 1 0 382.302 2.498 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCO[C@@]23CCOC3)cc1Br ZINC000903187174 654224778 /nfs/dbraw/zinc/22/47/78/654224778.db2.gz RHBHIZVKSQYNST-RYQLBKOJSA-N 1 0 384.314 2.446 20 0 GEADRO CCN1C[C@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1=O ZINC000903194714 654225611 /nfs/dbraw/zinc/22/56/11/654225611.db2.gz QBAVVIIVOQMHAZ-RYUDHWBXSA-N 1 0 378.416 2.499 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)[C@H]1c1ccccc1 ZINC000852228867 654226551 /nfs/dbraw/zinc/22/65/51/654226551.db2.gz GJENBODAXHLHGT-ODZUORAKSA-N 1 0 377.432 2.042 20 0 GEADRO CC[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903229004 654229275 /nfs/dbraw/zinc/22/92/75/654229275.db2.gz VHMFFSHZXQNTKR-MRXNPFEDSA-N 1 0 389.949 2.011 20 0 GEADRO O=C1CCC2=C(CC[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)N1 ZINC000852297813 654230712 /nfs/dbraw/zinc/23/07/12/654230712.db2.gz NSHPBSKHGSQPKP-AWEZNQCLSA-N 1 0 399.260 2.198 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1 ZINC000903271840 654231947 /nfs/dbraw/zinc/23/19/47/654231947.db2.gz OWDTXVDVGOLDAI-ARFHVFGLSA-N 1 0 376.444 2.216 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000852331975 654232351 /nfs/dbraw/zinc/23/23/51/654232351.db2.gz FGGLGZAFWKONFP-AWEZNQCLSA-N 1 0 384.322 2.352 20 0 GEADRO COc1ccc(C[C@H](C)[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cn1 ZINC000903325164 654234161 /nfs/dbraw/zinc/23/41/61/654234161.db2.gz JXDKCMWXXCKHRO-IINYFYTJSA-N 1 0 391.269 2.332 20 0 GEADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000903323687 654234406 /nfs/dbraw/zinc/23/44/06/654234406.db2.gz GDQVBRROXQSYRL-JOYOIKCWSA-N 1 0 384.274 2.417 20 0 GEADRO CC(C)[NH+](CCCNC(=O)NCC1CCC(S(C)(=O)=O)CC1)C(C)C ZINC000921150418 654237045 /nfs/dbraw/zinc/23/70/45/654237045.db2.gz KGHJMIAMRIADHW-UHFFFAOYSA-N 1 0 375.579 2.398 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000903424447 654238613 /nfs/dbraw/zinc/23/86/13/654238613.db2.gz VLTURJACPTWAFX-DLBZAZTESA-N 1 0 386.539 2.036 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CN1Cc2c(cccc2Br)C1=O ZINC000802738661 654238869 /nfs/dbraw/zinc/23/88/69/654238869.db2.gz OCGHQFMIEADHQL-CYBMUJFWSA-N 1 0 396.329 2.139 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CN1Cc2ccc(Br)cc2C1=O ZINC000802739736 654239496 /nfs/dbraw/zinc/23/94/96/654239496.db2.gz XSHIWKBZTBRRCY-CYBMUJFWSA-N 1 0 396.329 2.139 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000903493295 654241089 /nfs/dbraw/zinc/24/10/89/654241089.db2.gz OZQNYBQDZJQUHX-CXAGYDPISA-N 1 0 390.933 2.407 20 0 GEADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000903491103 654241186 /nfs/dbraw/zinc/24/11/86/654241186.db2.gz VFZLVOOILIFHJH-RVPKQNPDSA-N 1 0 386.279 2.144 20 0 GEADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cn3cc(Cl)cc(Cl)c3n1)C2 ZINC000903493745 654241457 /nfs/dbraw/zinc/24/14/57/654241457.db2.gz WFXBUYCRYMZKSQ-BFCNOCSMSA-N 1 0 383.279 2.353 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903499471 654242433 /nfs/dbraw/zinc/24/24/33/654242433.db2.gz JUHUXXYXPFAAJM-GXFFZTMASA-N 1 0 384.299 2.303 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1F ZINC000903510824 654244036 /nfs/dbraw/zinc/24/40/36/654244036.db2.gz LCRIJIVLFIKAEW-ONGXEEELSA-N 1 0 395.294 2.487 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1F ZINC000903513257 654244799 /nfs/dbraw/zinc/24/47/99/654244799.db2.gz ZZMOLWZEUHCWEZ-NXEZZACHSA-N 1 0 395.294 2.263 20 0 GEADRO OCCCCCCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852533326 654247147 /nfs/dbraw/zinc/24/71/47/654247147.db2.gz XZPAISLLMFLAAD-UHFFFAOYSA-N 1 0 392.285 2.462 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000903519171 654247253 /nfs/dbraw/zinc/24/72/53/654247253.db2.gz CEFBWQLUVDQOGZ-UHFFFAOYSA-N 1 0 383.583 2.216 20 0 GEADRO Cn1cc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c(Br)n1 ZINC000921323812 654248113 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[NH3+]C[C@]12CC[C@H]1CCCN2S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000903539231 654251826 /nfs/dbraw/zinc/25/18/26/654251826.db2.gz CJBGWIYQYZSNNT-SJKOYZFVSA-N 1 0 383.901 2.117 20 0 GEADRO CC[NH+](CC)CCSCC(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000832241419 654252166 /nfs/dbraw/zinc/25/21/66/654252166.db2.gz WDDFAKMTUOQQPA-UHFFFAOYSA-N 1 0 389.363 2.326 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000903542530 654252189 /nfs/dbraw/zinc/25/21/89/654252189.db2.gz KJIWSXIVPLEZPL-UHFFFAOYSA-N 1 0 397.722 2.231 20 0 GEADRO Cc1ccc(Br)c(CS(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1 ZINC000903542740 654252239 /nfs/dbraw/zinc/25/22/39/654252239.db2.gz YAPOYKAWOVBZHZ-UHFFFAOYSA-N 1 0 391.331 2.027 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903540556 654252297 /nfs/dbraw/zinc/25/22/97/654252297.db2.gz WUNWRDFRGISXIG-SRVKXCTJSA-N 1 0 380.208 2.187 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000903543180 654252579 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COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903554692 654254797 /nfs/dbraw/zinc/25/47/97/654254797.db2.gz VAPFAAZTZHUJFV-XHDPSFHLSA-N 1 0 376.906 2.030 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)cc1Cl ZINC000903555301 654254913 /nfs/dbraw/zinc/25/49/13/654254913.db2.gz IKKIAIBRTFBXMJ-UHFFFAOYSA-N 1 0 387.889 2.329 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903554690 654254927 /nfs/dbraw/zinc/25/49/27/654254927.db2.gz VAPFAAZTZHUJFV-IAQYHMDHSA-N 1 0 376.906 2.030 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1Br ZINC000903556345 654255220 /nfs/dbraw/zinc/25/52/20/654255220.db2.gz VVHUWVAXWQZYOQ-ZYHUDNBSSA-N 1 0 389.315 2.257 20 0 GEADRO O=C1OCCN1C1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000852723926 654255379 /nfs/dbraw/zinc/25/53/79/654255379.db2.gz KXRCOWHCYJOLSR-HNNXBMFYSA-N 1 0 399.285 2.105 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@H]1CC[NH3+] ZINC000903557402 654255696 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C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000871804545 654260756 /nfs/dbraw/zinc/26/07/56/654260756.db2.gz JDVNOZOYLNVAJL-DGCLKSJQSA-N 1 0 385.917 2.363 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cc3c(cc1Cl)CCCC(=O)N3)C2 ZINC000871804841 654260956 /nfs/dbraw/zinc/26/09/56/654260956.db2.gz HQXMBPHRWCWOJH-PXAZEXFGSA-N 1 0 383.901 2.117 20 0 GEADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC1 ZINC000871805372 654261224 /nfs/dbraw/zinc/26/12/24/654261224.db2.gz SYCBNJGQNRTZCI-NSHDSACASA-N 1 0 385.917 2.363 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000832354150 654261267 /nfs/dbraw/zinc/26/12/67/654261267.db2.gz SMJLIRZSZGWGQJ-GFCCVEGCSA-N 1 0 384.311 2.397 20 0 GEADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000871806059 654261305 /nfs/dbraw/zinc/26/13/05/654261305.db2.gz WHVZJMVPWPHMQD-KAEOHJDDSA-N 1 0 391.534 2.002 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Cl)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809097 654261914 /nfs/dbraw/zinc/26/19/14/654261914.db2.gz PYQMNENPJRXNAH-AWEZNQCLSA-N 1 0 376.881 2.057 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cscc2Br)CC[C@@H]1C(F)(F)F ZINC000903581608 654262047 /nfs/dbraw/zinc/26/20/47/654262047.db2.gz NLQQEKOLTIQBIT-POYBYMJQSA-N 1 0 393.250 2.411 20 0 GEADRO O=C(C=C1CC[NH2+]CC1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000852825699 654262106 /nfs/dbraw/zinc/26/21/06/654262106.db2.gz NWSDYKKCUUAHJT-UHFFFAOYSA-N 1 0 392.297 2.043 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000852840917 654262777 /nfs/dbraw/zinc/26/27/77/654262777.db2.gz AZKJUTLTBUJUFI-UHFFFAOYSA-N 1 0 375.922 2.178 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871812076 654262912 /nfs/dbraw/zinc/26/29/12/654262912.db2.gz ZYISNAYREPJZKB-CYBMUJFWSA-N 1 0 376.881 2.057 20 0 GEADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)cccc1Cl ZINC000871811579 654262929 /nfs/dbraw/zinc/26/29/29/654262929.db2.gz YYANBKVYEFIRIX-LLVKDONJSA-N 1 0 379.309 2.430 20 0 GEADRO Cn1c(Cl)cnc1-c1csc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)n1 ZINC000852845492 654263201 /nfs/dbraw/zinc/26/32/01/654263201.db2.gz YIHPRNUTKVYEHC-MRVPVSSYSA-N 1 0 377.861 2.249 20 0 GEADRO CC(C)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000871812865 654263152 /nfs/dbraw/zinc/26/31/52/654263152.db2.gz CTDLLIPVXTVYNJ-OCCSQVGLSA-N 1 0 378.416 2.283 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)Cc1cccc(F)c1Br ZINC000903584116 654263132 /nfs/dbraw/zinc/26/31/32/654263132.db2.gz IAEBRKOBFIVTLH-FZMZJTMJSA-N 1 0 377.279 2.231 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871812629 654263271 /nfs/dbraw/zinc/26/32/71/654263271.db2.gz IOFNZMBRFGQTKS-APPDUMDISA-N 1 0 381.885 2.127 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1Cl ZINC000903584236 654263278 /nfs/dbraw/zinc/26/32/78/654263278.db2.gz JXPVRZHXTXSISD-GFCCVEGCSA-N 1 0 397.722 2.469 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@@H]1C(F)(F)F ZINC000871813132 654263322 /nfs/dbraw/zinc/26/33/22/654263322.db2.gz GDZFWXYHKLXDCU-RQJHMYQMSA-N 1 0 378.203 2.146 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903585230 654263626 /nfs/dbraw/zinc/26/36/26/654263626.db2.gz NFLFZIPHODGNLS-IAQYHMDHSA-N 1 0 389.315 2.101 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871813512 654263574 /nfs/dbraw/zinc/26/35/74/654263574.db2.gz SOYFGPZZEKFFGA-XHDPSFHLSA-N 1 0 389.315 2.078 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)C[C@@H]1C(F)(F)F ZINC000871813186 654263605 /nfs/dbraw/zinc/26/36/05/654263605.db2.gz OTDVSCOKJIOUCY-XVKPBYJWSA-N 1 0 383.779 2.239 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903587947 654264113 /nfs/dbraw/zinc/26/41/13/654264113.db2.gz CIZHFOXAFZVQDB-DIFFPNOSSA-N 1 0 381.885 2.399 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2s1 ZINC000871814983 654264339 /nfs/dbraw/zinc/26/43/39/654264339.db2.gz YCUIZSHGZFUUQY-MWLCHTKSSA-N 1 0 379.429 2.362 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C[C@H]1C(F)(F)F ZINC000871814476 654264413 /nfs/dbraw/zinc/26/44/13/654264413.db2.gz UZYKWEZZHZNBTK-ZIAGYGMSSA-N 1 0 383.480 2.347 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903590414 654264698 /nfs/dbraw/zinc/26/46/98/654264698.db2.gz WCSOAQPRLNXZMX-LKFCYVNXSA-N 1 0 393.278 2.099 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c(Br)c1 ZINC000871816537 654264750 /nfs/dbraw/zinc/26/47/50/654264750.db2.gz GNVMLAUIBRFYDB-KGLIPLIRSA-N 1 0 375.288 2.021 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC000871815818 654264844 /nfs/dbraw/zinc/26/48/44/654264844.db2.gz VKVGKJZXZSWXKA-KGLIPLIRSA-N 1 0 375.288 2.021 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000903590552 654264789 /nfs/dbraw/zinc/26/47/89/654264789.db2.gz ZQFFUCXLOQKEBP-CYBMUJFWSA-N 1 0 378.922 2.372 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903592534 654265120 /nfs/dbraw/zinc/26/51/20/654265120.db2.gz OLKHCNAYIFLLSJ-IAQYHMDHSA-N 1 0 389.315 2.350 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)cc2N1 ZINC000871817379 654265247 /nfs/dbraw/zinc/26/52/47/654265247.db2.gz CIPQZQZAUVBIAL-RDJZCZTQSA-N 1 0 383.901 2.178 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871817795 654265255 /nfs/dbraw/zinc/26/52/55/654265255.db2.gz UHYCFBNVGKLXFM-RHSMWYFYSA-N 1 0 381.885 2.460 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cnn(-c2ccccc2)c1Br ZINC000852881091 654265319 /nfs/dbraw/zinc/26/53/19/654265319.db2.gz HFNGUMVUBAUIEB-GFCCVEGCSA-N 1 0 385.212 2.362 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1Br ZINC000903593434 654265635 /nfs/dbraw/zinc/26/56/35/654265635.db2.gz MSYDNEJGXDNTNZ-OAHLLOKOSA-N 1 0 389.315 2.364 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000852893448 654265738 /nfs/dbraw/zinc/26/57/38/654265738.db2.gz WSCFEHMOTKADRQ-WCQYABFASA-N 1 0 381.249 2.197 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871820501 654265764 /nfs/dbraw/zinc/26/57/64/654265764.db2.gz PPZIQEFVCIUTDY-ZIAGYGMSSA-N 1 0 393.278 2.160 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871821935 654266093 /nfs/dbraw/zinc/26/60/93/654266093.db2.gz BTYHUKBXMHELMS-GDBMZVCRSA-N 1 0 379.592 2.359 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)=NO1 ZINC000852894568 654266304 /nfs/dbraw/zinc/26/63/04/654266304.db2.gz WONRKYOAGPMNNY-HUUCEWRRSA-N 1 0 380.286 2.476 20 0 GEADRO O=C(C=C1CC[NH2+]CC1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000852894307 654266325 /nfs/dbraw/zinc/26/63/25/654266325.db2.gz PQXBHPYJGIWNIM-UHFFFAOYSA-N 1 0 394.313 2.212 20 0 GEADRO Cn1ncc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1Br ZINC000852906839 654267680 /nfs/dbraw/zinc/26/76/80/654267680.db2.gz UUZKXNMGAKZSMK-TZMCWYRMSA-N 1 0 381.249 2.197 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000852919780 654268842 /nfs/dbraw/zinc/26/88/42/654268842.db2.gz BRORWQKISFYPRH-CYBMUJFWSA-N 1 0 387.933 2.242 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ncccc1Br)c1cccnc1 ZINC000921478697 654272599 /nfs/dbraw/zinc/27/25/99/654272599.db2.gz QHQIERVHILSKCP-CQSZACIVSA-N 1 0 399.314 2.210 20 0 GEADRO C[C@@H](CN1C(=O)N[C@@H](Cc2cncs2)C1=O)[N@@H+]1CCc2sccc2C1 ZINC000871895629 654274040 /nfs/dbraw/zinc/27/40/40/654274040.db2.gz VQHOQASSOTZIMU-FZMZJTMJSA-N 1 0 376.507 2.114 20 0 GEADRO C[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)CC1(C)OCCO1 ZINC000871898313 654274403 /nfs/dbraw/zinc/27/44/03/654274403.db2.gz BOMPJHMNELWSPC-IINYFYTJSA-N 1 0 389.265 2.493 20 0 GEADRO COC(=O)c1cnc([C@@H]2CCCN(C(=S)NC3CC[NH+](C)CC3)C2)s1 ZINC000853053102 654274855 /nfs/dbraw/zinc/27/48/55/654274855.db2.gz DBWICFNCJKFEIW-GFCCVEGCSA-N 1 0 382.555 2.078 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000921512031 654277263 /nfs/dbraw/zinc/27/72/63/654277263.db2.gz ZFFUVUULVBDITJ-ZDUSSCGKSA-N 1 0 391.335 2.048 20 0 GEADRO NC(=O)C1(C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CCOCC1 ZINC000921527078 654278464 /nfs/dbraw/zinc/27/84/64/654278464.db2.gz KKJLEDKKOIULEO-UHFFFAOYSA-N 1 0 384.249 2.441 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]C[C@@H](O)c2ccccn2)cc1Br ZINC000853111163 654279644 /nfs/dbraw/zinc/27/96/44/654279644.db2.gz OMBUILXTGSPTHU-WMLDXEAASA-N 1 0 395.297 2.327 20 0 GEADRO O=C(N[C@@H]1CCOC2(CCSCC2)C1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921553345 654279858 /nfs/dbraw/zinc/27/98/58/654279858.db2.gz BNTGLRKKYPRWSP-OAGGEKHMSA-N 1 0 385.599 2.310 20 0 GEADRO O=C1N(CC[NH2+]C[C@H](O)c2ccc(Br)cc2)C[C@H]2CCCCN12 ZINC000853118845 654280010 /nfs/dbraw/zinc/28/00/10/654280010.db2.gz RZWKJPOPZLIVFU-CVEARBPZSA-N 1 0 382.302 2.362 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000832607498 654280415 /nfs/dbraw/zinc/28/04/15/654280415.db2.gz YVCORPRBOZPWDM-UHFFFAOYSA-N 1 0 387.933 2.242 20 0 GEADRO CC(C)N(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903720401 654281471 /nfs/dbraw/zinc/28/14/71/654281471.db2.gz BXQYOHJGWRLJBK-CHWSQXEVSA-N 1 0 377.432 2.223 20 0 GEADRO O=S(=O)(c1ccc(Cl)s1)N1CCCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903725638 654281641 /nfs/dbraw/zinc/28/16/41/654281641.db2.gz FAFVTEYDKTVBJL-CQSZACIVSA-N 1 0 391.990 2.488 20 0 GEADRO O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCC[C@@H]1CC[NH2+]C1 ZINC000832635469 654282331 /nfs/dbraw/zinc/28/23/31/654282331.db2.gz RIFNYGYXOJJBOM-LBPRGKRZSA-N 1 0 378.523 2.044 20 0 GEADRO CC[NH+](CC)Cc1ccc(C(=O)OCc2nnc(S(C)(=O)=O)s2)cc1 ZINC000803523074 654282734 /nfs/dbraw/zinc/28/27/34/654282734.db2.gz LMRCQZAWNSIXDY-UHFFFAOYSA-N 1 0 383.495 2.140 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000903782780 654283191 /nfs/dbraw/zinc/28/31/91/654283191.db2.gz GDIMNOMVDBOANI-INIZCTEOSA-N 1 0 396.329 2.051 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000903780672 654283287 /nfs/dbraw/zinc/28/32/87/654283287.db2.gz AQKSIJSQIUGJSW-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1F)C(C)C ZINC000903819387 654284338 /nfs/dbraw/zinc/28/43/38/654284338.db2.gz HDVUIQCICWHWTG-UHFFFAOYSA-N 1 0 388.281 2.003 20 0 GEADRO CC(C)[C@H](C(=O)N[C@H](CO)c1ccccc1I)[NH+](C)C ZINC000891324535 654286511 /nfs/dbraw/zinc/28/65/11/654286511.db2.gz HVBOCOBVTVRZKK-ZIAGYGMSSA-N 1 0 390.265 2.027 20 0 GEADRO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)C[C@H](O)c1ccccc1Br ZINC000832680795 654287300 /nfs/dbraw/zinc/28/73/00/654287300.db2.gz WKSKLXFSKODFFD-DOMZBBRYSA-N 1 0 376.316 2.239 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)Nc1cccc(I)c1)C2 ZINC000903850199 654287472 /nfs/dbraw/zinc/28/74/72/654287472.db2.gz LZVGOVZIJIUQOH-SUHUHFCYSA-N 1 0 385.249 2.041 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCN2CC(=O)Nc1ccccc1I ZINC000903853086 654287616 /nfs/dbraw/zinc/28/76/16/654287616.db2.gz DIUUETGHPFVTHM-ABAIWWIYSA-N 1 0 385.249 2.043 20 0 GEADRO O=C(CN1CCC[C@]12CC[NH2+]C2)Nc1cccc(I)c1 ZINC000903865182 654287809 /nfs/dbraw/zinc/28/78/09/654287809.db2.gz YMKAHXGFRUWHDX-OAHLLOKOSA-N 1 0 385.249 2.058 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncnc(F)c2Br)CC1 ZINC000853244115 654288980 /nfs/dbraw/zinc/28/89/80/654288980.db2.gz CQQNTKWLGYDSOI-CHWSQXEVSA-N 1 0 386.313 2.373 20 0 GEADRO COCCC1(NC(=O)NCc2cc(Br)cs2)CC[NH2+]CC1 ZINC000891369414 654289739 /nfs/dbraw/zinc/28/97/39/654289739.db2.gz OMPAIZWSTCIUSE-UHFFFAOYSA-N 1 0 376.320 2.469 20 0 GEADRO CC(C)(O)C[NH+]1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)CC1 ZINC000853252481 654289899 /nfs/dbraw/zinc/28/98/99/654289899.db2.gz OSQIYKFYNCSFSV-UHFFFAOYSA-N 1 0 388.697 2.267 20 0 GEADRO O=C(CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1ccc(Br)cc1 ZINC000891404229 654291452 /nfs/dbraw/zinc/29/14/52/654291452.db2.gz IGLJGRXFIIZMTG-LSDHHAIUSA-N 1 0 395.301 2.314 20 0 GEADRO COC[C@@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000903937224 654292406 /nfs/dbraw/zinc/29/24/06/654292406.db2.gz FJVDAQHWAFUGHD-DOTOQJQBSA-N 1 0 394.317 2.442 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000891424836 654293017 /nfs/dbraw/zinc/29/30/17/654293017.db2.gz BMQUGELVUFYKIF-YDHLFZDLSA-N 1 0 381.318 2.312 20 0 GEADRO CC(C)N1C(=S)N=NC1CCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000853347323 654293165 /nfs/dbraw/zinc/29/31/65/654293165.db2.gz ICPQJTZFUFGDFA-CYBMUJFWSA-N 1 0 382.559 2.354 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(F)cc1Cl ZINC000832764503 654293836 /nfs/dbraw/zinc/29/38/36/654293836.db2.gz NFEBJVUAEJXKCS-NSHDSACASA-N 1 0 392.880 2.369 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891445289 654294079 /nfs/dbraw/zinc/29/40/79/654294079.db2.gz KSLJQLIVUMHBQR-YOEHRIQHSA-N 1 0 396.285 2.304 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891447694 654294154 /nfs/dbraw/zinc/29/41/54/654294154.db2.gz XVHSUOMQNDAYRG-KBPBESRZSA-N 1 0 396.285 2.256 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891447700 654294156 /nfs/dbraw/zinc/29/41/56/654294156.db2.gz XVHSUOMQNDAYRG-ZIAGYGMSSA-N 1 0 396.285 2.256 20 0 GEADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000891459489 654294580 /nfs/dbraw/zinc/29/45/80/654294580.db2.gz JVMWRJJATZGPAI-CQSZACIVSA-N 1 0 378.826 2.447 20 0 GEADRO COc1cccc([C@H](CNc2nc(Cl)ccc2S(N)(=O)=O)[NH+](C)C)c1 ZINC000891502451 654298300 /nfs/dbraw/zinc/29/83/00/654298300.db2.gz XLIYWSMITVRWMR-ZDUSSCGKSA-N 1 0 384.889 2.106 20 0 GEADRO C[C@]1(Br)C[C@@H]1C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000891531718 654299678 /nfs/dbraw/zinc/29/96/78/654299678.db2.gz PSTKQQYDBVSCGF-WBMJQRKESA-N 1 0 397.342 2.047 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3cc(Cl)cc(Cl)c3)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904085743 654300784 /nfs/dbraw/zinc/30/07/84/654300784.db2.gz RCKWPJIGBIHSKP-TVYUQYBPSA-N 1 0 388.276 2.219 20 0 GEADRO CCC[N@H+](C)[C@@H](CNC(=O)CC1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127821 654301337 /nfs/dbraw/zinc/30/13/37/654301337.db2.gz BAZBPHBTUBLTGU-KBPBESRZSA-N 1 0 382.917 2.396 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Cl)cc3Cl)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904110025 654302227 /nfs/dbraw/zinc/30/22/27/654302227.db2.gz KSPQWXXHHYIJKW-LJUAHTATSA-N 1 0 388.276 2.219 20 0 GEADRO C[C@@]12COC[C@]1(C)C[N@@H+](Cn1nc(Br)c(=O)c3ccccc31)C2 ZINC000853543391 654302690 /nfs/dbraw/zinc/30/26/90/654302690.db2.gz XEKRIQSWWCVAPH-CALCHBBNSA-N 1 0 378.270 2.475 20 0 GEADRO C[NH2+]CCOc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)s3)no2)c1 ZINC000904126592 654302984 /nfs/dbraw/zinc/30/29/84/654302984.db2.gz OOEUWFAVWAZTBN-UHFFFAOYSA-N 1 0 379.463 2.467 20 0 GEADRO CC(C)([NH3+])CCNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000891651959 654305021 /nfs/dbraw/zinc/30/50/21/654305021.db2.gz TZHSAHUIBUIWEO-UHFFFAOYSA-N 1 0 378.786 2.328 20 0 GEADRO CN(C(=O)Nc1ccccc1I)C1(C[NH3+])CCOCC1 ZINC000904274541 654306871 /nfs/dbraw/zinc/30/68/71/654306871.db2.gz PLHNMRZJCLTHHV-UHFFFAOYSA-N 1 0 389.237 2.263 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1nc(Br)sc1C1CC1 ZINC000833559771 654307904 /nfs/dbraw/zinc/30/79/04/654307904.db2.gz XCCDDKNFEBLSRC-LLVKDONJSA-N 1 0 388.331 2.360 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000904359708 654308435 /nfs/dbraw/zinc/30/84/35/654308435.db2.gz TXXJYPJOWNQMFI-LJGSYFOKSA-N 1 0 381.164 2.428 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cc[nH]c(=O)c2)c1 ZINC000921719089 654310834 /nfs/dbraw/zinc/31/08/34/654310834.db2.gz NPDXHSZLPYGFAA-UHFFFAOYSA-N 1 0 394.269 2.468 20 0 GEADRO O=C(C1SCCS1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804448383 654310880 /nfs/dbraw/zinc/31/08/80/654310880.db2.gz NNMPRIFSQZYKJH-QGZVFWFLSA-N 1 0 377.579 2.211 20 0 GEADRO COc1ccc(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)c(I)c1 ZINC000904450313 654311125 /nfs/dbraw/zinc/31/11/25/654311125.db2.gz RRVAMUUNOGPOOB-GFCCVEGCSA-N 1 0 389.237 2.419 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc(Br)c1F ZINC000904449439 654311236 /nfs/dbraw/zinc/31/12/36/654311236.db2.gz IBMVABVFAREPQF-UPZJHPNMSA-N 1 0 386.221 2.389 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccnn1-c1ccc(Br)cn1)C2 ZINC000904459879 654311485 /nfs/dbraw/zinc/31/14/85/654311485.db2.gz ZXDBLXOVKPEVFM-DRZSPHRISA-N 1 0 391.273 2.373 20 0 GEADRO CCN(C(=O)NCCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CC[NH2+]C1 ZINC000891782364 654311531 /nfs/dbraw/zinc/31/15/31/654311531.db2.gz GSXSIKQJYZKBIW-OAHLLOKOSA-N 1 0 394.317 2.341 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000904459090 654311542 /nfs/dbraw/zinc/31/15/42/654311542.db2.gz NSMHYNXMOGFCDB-SNVBAGLBSA-N 1 0 385.852 2.450 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(Cn2c(=O)oc3cccc(Br)c32)CCO1 ZINC000853626100 654311637 /nfs/dbraw/zinc/31/16/37/654311637.db2.gz XDQALJOETLMAEW-ZDUSSCGKSA-N 1 0 398.301 2.357 20 0 GEADRO CNC(=O)c1cccc(NC(=O)NC[C@H]2CCCCC[NH2+]2)c1Br ZINC000904473506 654312076 /nfs/dbraw/zinc/31/20/76/654312076.db2.gz SMUPVZSSNCHDPK-LLVKDONJSA-N 1 0 383.290 2.462 20 0 GEADRO CCN(C(=O)NCc1cn2cc(Br)cc(C)c2n1)[C@H]1CC[NH2+]C1 ZINC000891791069 654312085 /nfs/dbraw/zinc/31/20/85/654312085.db2.gz MQTITPNPOVRCPO-AWEZNQCLSA-N 1 0 380.290 2.299 20 0 GEADRO CS(=O)(=O)c1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904474092 654312207 /nfs/dbraw/zinc/31/22/07/654312207.db2.gz TUXKZPWRUXQDHV-YJBOKZPZSA-N 1 0 378.519 2.497 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c1Br ZINC000904485825 654312427 /nfs/dbraw/zinc/31/24/27/654312427.db2.gz WOZLHNYOSVDUKP-QFYYESIMSA-N 1 0 381.274 2.154 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]Cc2cccc3c2OCC3)CC1)C(F)(F)F ZINC000921728636 654312928 /nfs/dbraw/zinc/31/29/28/654312928.db2.gz CLFBMINJQCHHSG-UHFFFAOYSA-N 1 0 378.416 2.273 20 0 GEADRO OCc1cn(CCC[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)nn1 ZINC000872073908 654313389 /nfs/dbraw/zinc/31/33/89/654313389.db2.gz WWTLSIMDWRIJRK-PBHICJAKSA-N 1 0 395.301 2.290 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872094270 654313587 /nfs/dbraw/zinc/31/35/87/654313587.db2.gz ZKWCTEIBGPNLRL-ZFWWWQNUSA-N 1 0 391.331 2.056 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000853656414 654313832 /nfs/dbraw/zinc/31/38/32/654313832.db2.gz NKHGSOFEBMPMDF-UHFFFAOYSA-N 1 0 380.432 2.309 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000872105581 654313981 /nfs/dbraw/zinc/31/39/81/654313981.db2.gz CNGLMCCGTLIDAU-UHFFFAOYSA-N 1 0 387.343 2.494 20 0 GEADRO Cc1ccc(-c2noc([C@@H]3CCCN(CC[NH3+])C3=O)n2)cc1Br ZINC000904596137 654313966 /nfs/dbraw/zinc/31/39/66/654313966.db2.gz GUDUQYZAAIUPJD-LBPRGKRZSA-N 1 0 379.258 2.472 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000872120898 654314000 /nfs/dbraw/zinc/31/40/00/654314000.db2.gz WGKVUVXVAQDYHU-OLMTUDMXSA-N 1 0 379.469 2.299 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)C[C@@H]21 ZINC000834310237 654314226 /nfs/dbraw/zinc/31/42/26/654314226.db2.gz IRXYTDUYIWXZEN-DOMZBBRYSA-N 1 0 375.270 2.411 20 0 GEADRO Cc1ccc(SCCNC(=O)CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872147787 654314495 /nfs/dbraw/zinc/31/44/95/654314495.db2.gz LEWQNRZDFZWMOY-HIFRSBDPSA-N 1 0 375.460 2.272 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872149960 654315001 /nfs/dbraw/zinc/31/50/01/654315001.db2.gz PSTWCVHHJDQSFO-INNHCVQGSA-N 1 0 398.198 2.184 20 0 GEADRO C[C@H](CNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)[N@H+](C)C1CC1 ZINC000853682591 654315159 /nfs/dbraw/zinc/31/51/59/654315159.db2.gz FUXWVRRYDBLCGK-GFCCVEGCSA-N 1 0 382.302 2.145 20 0 GEADRO COc1ccc(Cc2noc([C@]3(C)C[NH2+]CCO3)n2)c(Br)c1OC ZINC000872177122 654315544 /nfs/dbraw/zinc/31/55/44/654315544.db2.gz BQYIXHYTXRKHGH-INIZCTEOSA-N 1 0 398.257 2.275 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)c2sc(Cl)nc2C)CC1 ZINC000804626830 654315541 /nfs/dbraw/zinc/31/55/41/654315541.db2.gz SMJCJOHWBBQNBQ-UHFFFAOYSA-N 1 0 375.922 2.304 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921736110 654315711 /nfs/dbraw/zinc/31/57/11/654315711.db2.gz YWQHWUICPDRJMZ-UHFFFAOYSA-N 1 0 382.864 2.295 20 0 GEADRO COc1nc(C)c(Br)cc1-c1noc([C@]2(C[NH3+])CCCOC2)n1 ZINC000872181568 654316026 /nfs/dbraw/zinc/31/60/26/654316026.db2.gz MWRWYHHARYPWLI-HNNXBMFYSA-N 1 0 383.246 2.218 20 0 GEADRO COc1nc(C)c(Br)cc1-c1noc([C@@]2(C[NH3+])CCCOC2)n1 ZINC000872181569 654316142 /nfs/dbraw/zinc/31/61/42/654316142.db2.gz MWRWYHHARYPWLI-OAHLLOKOSA-N 1 0 383.246 2.218 20 0 GEADRO O[C@@H](C[NH2+]CCc1ccc(Br)cc1F)CC1(O)CCOCC1 ZINC000872199732 654316474 /nfs/dbraw/zinc/31/64/74/654316474.db2.gz CGGZVEXAFUYILH-CQSZACIVSA-N 1 0 376.266 2.013 20 0 GEADRO Cn1ncc(-c2noc([C@@H]3CC[NH2+][C@@H]([C@@H]4CCCO4)C3)n2)c1Br ZINC000904694869 654317009 /nfs/dbraw/zinc/31/70/09/654317009.db2.gz JVLQLHRVULUTLH-JLLWLGSASA-N 1 0 382.262 2.247 20 0 GEADRO Cn1ncc(-c2noc([C@@H]3CC[NH2+][C@H]([C@H]4CCCO4)C3)n2)c1Br ZINC000904694866 654317157 /nfs/dbraw/zinc/31/71/57/654317157.db2.gz JVLQLHRVULUTLH-ADEWGFFLSA-N 1 0 382.262 2.247 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)c2ccsc2S1(=O)=O ZINC000891909029 654317418 /nfs/dbraw/zinc/31/74/18/654317418.db2.gz IOWUIVCLWCWMFN-SCRDCRAPSA-N 1 0 385.555 2.433 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCSCC(F)(F)F)C2 ZINC000921750039 654317969 /nfs/dbraw/zinc/31/79/69/654317969.db2.gz KHLWXBQWKRHQBI-CXTNEJHOSA-N 1 0 383.480 2.061 20 0 GEADRO [NH3+]CCN1CCC[C@H](c2nc(-c3cc(Br)ccc3F)no2)C1=O ZINC000904724345 654318179 /nfs/dbraw/zinc/31/81/79/654318179.db2.gz NKSLTUGCLUHDTR-SNVBAGLBSA-N 1 0 383.221 2.303 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000872235653 654318317 /nfs/dbraw/zinc/31/83/17/654318317.db2.gz XSCJJKAQDOHXAB-KRWDZBQOSA-N 1 0 386.876 2.253 20 0 GEADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872234678 654318333 /nfs/dbraw/zinc/31/83/33/654318333.db2.gz WRORAVIWLSCBHT-HNNXBMFYSA-N 1 0 385.283 2.071 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1c(Br)cncc1Br ZINC000891929514 654319162 /nfs/dbraw/zinc/31/91/62/654319162.db2.gz LICCISHQRWVXAP-YUMQZZPRSA-N 1 0 392.095 2.238 20 0 GEADRO O=C1OCC[C@H]1CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000872244359 654319436 /nfs/dbraw/zinc/31/94/36/654319436.db2.gz JBUVFNDXJDRDQG-BXUZGUMPSA-N 1 0 390.249 2.261 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000872246648 654319472 /nfs/dbraw/zinc/31/94/72/654319472.db2.gz ICOQYYYYNWHVAM-UHFFFAOYSA-N 1 0 388.327 2.010 20 0 GEADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(Br)c[nH]1 ZINC000921767443 654319824 /nfs/dbraw/zinc/31/98/24/654319824.db2.gz RLYKOAYLKQZHJY-CABCVRRESA-N 1 0 379.302 2.145 20 0 GEADRO CCN1CCN(C(=O)CC2CC[NH+](C[C@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000891949662 654320145 /nfs/dbraw/zinc/32/01/45/654320145.db2.gz VSXYQFBLPBLUQS-SJLPKXTDSA-N 1 0 386.378 2.426 20 0 GEADRO Cc1cc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1Br ZINC000872256775 654320311 /nfs/dbraw/zinc/32/03/11/654320311.db2.gz YBNLUMNAPZZUCT-IMJJTQAJSA-N 1 0 380.286 2.124 20 0 GEADRO O=C(c1cc(Cl)sc1Cl)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872261225 654320383 /nfs/dbraw/zinc/32/03/83/654320383.db2.gz MAGWKLMXAXBZST-MNOVXSKESA-N 1 0 390.292 2.452 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C2 ZINC000872265591 654320896 /nfs/dbraw/zinc/32/08/96/654320896.db2.gz TXTGLBZNMKXLQO-GASCZTMLSA-N 1 0 376.400 2.052 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000891967880 654321151 /nfs/dbraw/zinc/32/11/51/654321151.db2.gz ICOCYWAGZTWGTL-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000891968865 654321156 /nfs/dbraw/zinc/32/11/56/654321156.db2.gz OVDOZQVLQNHVCJ-UHFFFAOYSA-N 1 0 378.826 2.453 20 0 GEADRO CC1(C)CC[NH2+]CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000872295898 654322148 /nfs/dbraw/zinc/32/21/48/654322148.db2.gz KAFGZQXMQSTKKI-UHFFFAOYSA-N 1 0 385.917 2.094 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804812207 654322259 /nfs/dbraw/zinc/32/22/59/654322259.db2.gz FNSHTBGFHVZNCM-OLZOCXBDSA-N 1 0 386.949 2.300 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000892004785 654323400 /nfs/dbraw/zinc/32/34/00/654323400.db2.gz HWTMIIATELYOLA-KBPBESRZSA-N 1 0 376.284 2.127 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nc(Br)cs1 ZINC000853824611 654323830 /nfs/dbraw/zinc/32/38/30/654323830.db2.gz LDKMVRIIEYRUPW-ZDUSSCGKSA-N 1 0 396.310 2.402 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C[N@@H+]1C1CC1 ZINC000853838105 654324557 /nfs/dbraw/zinc/32/45/57/654324557.db2.gz DZDSABJKTFFRHM-WFASDCNBSA-N 1 0 394.313 2.287 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000904969820 654326003 /nfs/dbraw/zinc/32/60/03/654326003.db2.gz DCXJDFGJPGJDFD-KDOFPFPSSA-N 1 0 394.313 2.137 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000904969147 654326010 /nfs/dbraw/zinc/32/60/10/654326010.db2.gz AOZNUSCCTUFPNJ-KDOFPFPSSA-N 1 0 394.313 2.137 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000892075241 654326990 /nfs/dbraw/zinc/32/69/90/654326990.db2.gz INWVDSRWRRLGBT-OAHLLOKOSA-N 1 0 397.361 2.269 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@]2(C)Cc2cccs2)CC1 ZINC000921816149 654326949 /nfs/dbraw/zinc/32/69/49/654326949.db2.gz QJSZNXJRMOURAU-GOSISDBHSA-N 1 0 385.599 2.112 20 0 GEADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)NCC1=CC[NH2+]CC1 ZINC000892071096 654327039 /nfs/dbraw/zinc/32/70/39/654327039.db2.gz JCLRITCVQNJQPD-UHFFFAOYSA-N 1 0 390.285 2.354 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905079842 654329398 /nfs/dbraw/zinc/32/93/98/654329398.db2.gz KBNCNUMKRSIFMR-OAHLLOKOSA-N 1 0 385.302 2.342 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C1(O)CCC1 ZINC000905089983 654330345 /nfs/dbraw/zinc/33/03/45/654330345.db2.gz QLPKATYUQWTTFD-MRXNPFEDSA-N 1 0 384.314 2.363 20 0 GEADRO CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H]3C[C@@]3(C)Br)CC2)n1 ZINC000892212427 654334255 /nfs/dbraw/zinc/33/42/55/654334255.db2.gz PQXXPCNOORRHBO-DVOMOZLQSA-N 1 0 387.322 2.458 20 0 GEADRO C[C@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1nc(Br)cs1 ZINC000834555459 654334289 /nfs/dbraw/zinc/33/42/89/654334289.db2.gz WNNBKDKROSBCPZ-NWDGAFQWSA-N 1 0 389.363 2.499 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C1=O ZINC000905147617 654334592 /nfs/dbraw/zinc/33/45/92/654334592.db2.gz LEONDYVZVXJXCK-YLVFBTJISA-N 1 0 386.279 2.337 20 0 GEADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1=O ZINC000905147607 654334659 /nfs/dbraw/zinc/33/46/59/654334659.db2.gz LEONDYVZVXJXCK-JDSLSITLSA-N 1 0 386.279 2.337 20 0 GEADRO O[C@@H](C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)C1(O)CCC1 ZINC000905166204 654335417 /nfs/dbraw/zinc/33/54/17/654335417.db2.gz OOLBAWOECPBVBJ-KRWDZBQOSA-N 1 0 383.330 2.279 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905164806 654335464 /nfs/dbraw/zinc/33/54/64/654335464.db2.gz IUTWWDCKZVWYDE-FFSVYQOJSA-N 1 0 376.266 2.011 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C(F)(F)c2ccc(Br)cc2)C1 ZINC000834569589 654336078 /nfs/dbraw/zinc/33/60/78/654336078.db2.gz RRBJGHGBWGGVAC-OAHLLOKOSA-N 1 0 391.256 2.456 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC000834569431 654336153 /nfs/dbraw/zinc/33/61/53/654336153.db2.gz OXQIVMWJHBCWJE-QGZVFWFLSA-N 1 0 380.286 2.459 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC000834569430 654336275 /nfs/dbraw/zinc/33/62/75/654336275.db2.gz OXQIVMWJHBCWJE-KRWDZBQOSA-N 1 0 380.286 2.459 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905200419 654338031 /nfs/dbraw/zinc/33/80/31/654338031.db2.gz KVMBFDCULNYDCL-NKKGCODLSA-N 1 0 388.302 2.017 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3nc(Br)c[nH]3)cc2)C1 ZINC000921890818 654338494 /nfs/dbraw/zinc/33/84/94/654338494.db2.gz AITBIQNFXQTGTO-ZDUSSCGKSA-N 1 0 392.301 2.482 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1(O)CCOCC1 ZINC000905203963 654338674 /nfs/dbraw/zinc/33/86/74/654338674.db2.gz TWCYRYZDYYUVFZ-MLGOLLRUSA-N 1 0 375.296 2.064 20 0 GEADRO C[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000854056050 654338736 /nfs/dbraw/zinc/33/87/36/654338736.db2.gz WKJVKFYVKSSVEL-VFYQPRLDSA-N 1 0 379.448 2.288 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892303306 654339386 /nfs/dbraw/zinc/33/93/86/654339386.db2.gz ZFLDFFDFOMPSHT-XHDPSFHLSA-N 1 0 378.274 2.184 20 0 GEADRO Cc1cnc([C@@H](C)C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000905211756 654339407 /nfs/dbraw/zinc/33/94/07/654339407.db2.gz FYJJOOVFSQTTJX-JSGCOSHPSA-N 1 0 389.587 2.146 20 0 GEADRO CC[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC[C@@H]1[NH3+] ZINC000834646983 654340655 /nfs/dbraw/zinc/34/06/55/654340655.db2.gz LBMXWXIZXMGCGC-HZMBPMFUSA-N 1 0 389.315 2.052 20 0 GEADRO CC[C@H]1CN(C(=O)c2cccn3c(I)cnc23)CC[C@@H]1[NH3+] ZINC000834647442 654340951 /nfs/dbraw/zinc/34/09/51/654340951.db2.gz PAAQLUJLQCOOJJ-JQWIXIFHSA-N 1 0 398.248 2.138 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[NH2+]1 ZINC000834682049 654342491 /nfs/dbraw/zinc/34/24/91/654342491.db2.gz NGDPPUNYQXCQDS-VXGBXAGGSA-N 1 0 378.523 2.185 20 0 GEADRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1 ZINC000872458573 654342544 /nfs/dbraw/zinc/34/25/44/654342544.db2.gz GYMLCZDWTMSGCL-QHCPKHFHSA-N 1 0 381.608 2.475 20 0 GEADRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC1 ZINC000872458569 654342599 /nfs/dbraw/zinc/34/25/99/654342599.db2.gz GYMLCZDWTMSGCL-HSZRJFAPSA-N 1 0 381.608 2.475 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000892358778 654342620 /nfs/dbraw/zinc/34/26/20/654342620.db2.gz QSOJRDBWERJTRN-TZMCWYRMSA-N 1 0 384.322 2.246 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000892358777 654342661 /nfs/dbraw/zinc/34/26/61/654342661.db2.gz QSOJRDBWERJTRN-OCCSQVGLSA-N 1 0 384.322 2.246 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000892355856 654342674 /nfs/dbraw/zinc/34/26/74/654342674.db2.gz DXIJOISUZSSOTB-OLZOCXBDSA-N 1 0 384.322 2.104 20 0 GEADRO [NH3+][C@H]1C[C@H](c2nc(-c3cccn4c(I)cnc34)no2)C1 ZINC000854152792 654342839 /nfs/dbraw/zinc/34/28/39/654342839.db2.gz BNXSITPDJBJPAB-ZKCHVHJHSA-N 1 0 381.177 2.194 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000892365088 654343155 /nfs/dbraw/zinc/34/31/55/654343155.db2.gz NKKJLRINVRAGJG-JSGCOSHPSA-N 1 0 396.285 2.066 20 0 GEADRO CS(=O)(=O)c1ccc(-c2noc(-c3cc(C4CC[NH2+]CC4)no3)n2)s1 ZINC000854162850 654343270 /nfs/dbraw/zinc/34/32/70/654343270.db2.gz YJMNHRKFGHQWEP-UHFFFAOYSA-N 1 0 380.451 2.324 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000834691586 654343683 /nfs/dbraw/zinc/34/36/83/654343683.db2.gz PMSPYHURQBJYBG-SECBINFHSA-N 1 0 394.324 2.162 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@@H]2CCCC(F)(F)C2)CCC1 ZINC000905249676 654344518 /nfs/dbraw/zinc/34/45/18/654344518.db2.gz ZSRXBTADPWJRHR-ZIAGYGMSSA-N 1 0 382.517 2.403 20 0 GEADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000892425442 654345610 /nfs/dbraw/zinc/34/56/10/654345610.db2.gz BLGLTDVLCIGKOH-RGVDIWCNSA-N 1 0 376.298 2.481 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905258557 654345983 /nfs/dbraw/zinc/34/59/83/654345983.db2.gz YMUSRDJPFMNGDM-IUODEOHRSA-N 1 0 381.325 2.431 20 0 GEADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000872469524 654347198 /nfs/dbraw/zinc/34/71/98/654347198.db2.gz WKNXALWANOMVRY-XMMPIXPASA-N 1 0 388.559 2.029 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)nc12 ZINC000921959931 654347732 /nfs/dbraw/zinc/34/77/32/654347732.db2.gz KZZQDURRMQJRSO-RISCZKNCSA-N 1 0 380.290 2.297 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872477710 654350396 /nfs/dbraw/zinc/35/03/96/654350396.db2.gz KPLVRANVIAWPEU-LBPRGKRZSA-N 1 0 379.448 2.068 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)[C@H](C)[NH3+] ZINC000834821677 654350763 /nfs/dbraw/zinc/35/07/63/654350763.db2.gz RZKPWEKNPOCDNB-QWHCGFSZSA-N 1 0 387.933 2.370 20 0 GEADRO Cn1ccnc1[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000905331589 654350997 /nfs/dbraw/zinc/35/09/97/654350997.db2.gz MSZJVIUKSBWAHD-INIZCTEOSA-N 1 0 382.917 2.082 20 0 GEADRO O=C(c1cnc(F)c(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854329702 654351510 /nfs/dbraw/zinc/35/15/10/654351510.db2.gz CBUQANJZNSMKQK-ZDUSSCGKSA-N 1 0 386.265 2.310 20 0 GEADRO CN1CC[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000905343755 654352239 /nfs/dbraw/zinc/35/22/39/654352239.db2.gz SQCYDKCSXYRPFL-IAGOWNOFSA-N 1 0 389.924 2.143 20 0 GEADRO C[C@]12CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)C[C@H]1C2(Br)Br ZINC000892568668 654352250 /nfs/dbraw/zinc/35/22/50/654352250.db2.gz WWDXNNPVEFMHPL-BFLSOPEQSA-N 1 0 395.139 2.261 20 0 GEADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ncc(Br)cc3O)cn2)CCO1 ZINC000892580089 654352336 /nfs/dbraw/zinc/35/23/36/654352336.db2.gz GMWANOZZMUNZII-GFCCVEGCSA-N 1 0 393.285 2.460 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H](CO)c1ccc(Br)cc1 ZINC000892589502 654352673 /nfs/dbraw/zinc/35/26/73/654352673.db2.gz QHIRYEXJAYXYIC-MWNCTCPHSA-N 1 0 382.302 2.312 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892591238 654352960 /nfs/dbraw/zinc/35/29/60/654352960.db2.gz TURDMMPDWNSAKI-MWNCTCPHSA-N 1 0 382.302 2.312 20 0 GEADRO CN(Cc1ccc(Br)cc1F)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905360966 654353468 /nfs/dbraw/zinc/35/34/68/654353468.db2.gz WWAKKZLIFUTSFZ-UHFFFAOYSA-N 1 0 379.295 2.349 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@@](C)(O)C(F)F)cc1Br ZINC000905369929 654353601 /nfs/dbraw/zinc/35/36/01/654353601.db2.gz BMHXJIQRJKWTSP-IAQYHMDHSA-N 1 0 382.245 2.214 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000834856903 654353740 /nfs/dbraw/zinc/35/37/40/654353740.db2.gz BOHBKPFWUAUVRL-LLVKDONJSA-N 1 0 398.248 2.057 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000905378823 654354668 /nfs/dbraw/zinc/35/46/68/654354668.db2.gz HJJIMBSUXYRAFI-UHFFFAOYSA-N 1 0 378.274 2.244 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C(F)(F)c1ccccc1Br ZINC000854352840 654354905 /nfs/dbraw/zinc/35/49/05/654354905.db2.gz LKTLONRUXUTRDF-LBPRGKRZSA-N 1 0 388.256 2.047 20 0 GEADRO CC[C@@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834879082 654355183 /nfs/dbraw/zinc/35/51/83/654355183.db2.gz PPKNRWBGZXPZLK-ZNMIVQPWSA-N 1 0 377.551 2.082 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]Cc2cccc(F)c2F)CCC1 ZINC000905403293 654355471 /nfs/dbraw/zinc/35/54/71/654355471.db2.gz FYZNRLFCYFZTGW-CQSZACIVSA-N 1 0 376.469 2.056 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)N[C@H](CO)c1ccccc1C(F)(F)F ZINC000922023649 654356084 /nfs/dbraw/zinc/35/60/84/654356084.db2.gz MWDADXWBNHFKLV-OAHLLOKOSA-N 1 0 380.432 2.144 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)Cc1ccoc1 ZINC000905418906 654356300 /nfs/dbraw/zinc/35/63/00/654356300.db2.gz MYZHBYCHPQILHD-ZBFHGGJFSA-N 1 0 384.270 2.223 20 0 GEADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cccc(Br)n1 ZINC000872497425 654356931 /nfs/dbraw/zinc/35/69/31/654356931.db2.gz JWKMOSKRWYXTNO-UHFFFAOYSA-N 1 0 376.320 2.339 20 0 GEADRO C[C@@](O)(C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000905453489 654358291 /nfs/dbraw/zinc/35/82/91/654358291.db2.gz QADHWIGEZQKWEC-JTNHKYCSSA-N 1 0 396.734 2.475 20 0 GEADRO C[C@](O)(C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1)c1ccc(Br)cc1F ZINC000905465304 654359203 /nfs/dbraw/zinc/35/92/03/654359203.db2.gz KDQKUJBSLXIALV-MWNCTCPHSA-N 1 0 376.266 2.050 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000835046090 654359691 /nfs/dbraw/zinc/35/96/91/654359691.db2.gz SEBXIUGBSOXQSX-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000835044866 654359703 /nfs/dbraw/zinc/35/97/03/654359703.db2.gz AAHQDSRDBZVZEY-CHWSQXEVSA-N 1 0 397.317 2.470 20 0 GEADRO O[C@@H](CNCc1ccn(-c2ccc(Br)cc2)n1)C[NH+]1CCCC1 ZINC000905477603 654360005 /nfs/dbraw/zinc/36/00/05/654360005.db2.gz DOSDVOBJTGHYTI-KRWDZBQOSA-N 1 0 379.302 2.181 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1 ZINC000892703434 654360421 /nfs/dbraw/zinc/36/04/21/654360421.db2.gz LMRKOEVCXZEXBY-UHFFFAOYSA-N 1 0 379.429 2.316 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000835074686 654360650 /nfs/dbraw/zinc/36/06/50/654360650.db2.gz UNWRTFLGYAYKIS-NSHDSACASA-N 1 0 383.290 2.082 20 0 GEADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1 ZINC000872510087 654360895 /nfs/dbraw/zinc/36/08/95/654360895.db2.gz HZGTZTPJDNYADO-QHCPKHFHSA-N 1 0 379.592 2.468 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000892731284 654361727 /nfs/dbraw/zinc/36/17/27/654361727.db2.gz LWTKCKSHHYKZCO-RYUDHWBXSA-N 1 0 389.315 2.109 20 0 GEADRO C[C@@]1(NC(=O)Cc2ccccc2I)C[NH+]2CCC1CC2 ZINC000892778835 654363690 /nfs/dbraw/zinc/36/36/90/654363690.db2.gz YLUOLEBJXSJBRQ-MRXNPFEDSA-N 1 0 384.261 2.434 20 0 GEADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892794418 654364432 /nfs/dbraw/zinc/36/44/32/654364432.db2.gz UGDZYYFKUBGNQS-ZDUSSCGKSA-N 1 0 378.464 2.280 20 0 GEADRO CCn1c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)nc(Br)c1Br ZINC000922080716 654364775 /nfs/dbraw/zinc/36/47/75/654364775.db2.gz ZDWONRSRFNHSSI-PRHODGIISA-N 1 0 397.111 2.058 20 0 GEADRO CO[C@@]1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCSC1 ZINC000905547630 654365169 /nfs/dbraw/zinc/36/51/69/654365169.db2.gz ZJYLEFOPZHSDTH-DZGCQCFKSA-N 1 0 376.316 2.301 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCc2cc(Cl)cc(Br)c2)CCO1 ZINC000892840397 654365782 /nfs/dbraw/zinc/36/57/82/654365782.db2.gz MGZYZAJDILOISS-QMTHXVAHSA-N 1 0 390.709 2.403 20 0 GEADRO S=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905555444 654365802 /nfs/dbraw/zinc/36/58/02/654365802.db2.gz KDSSLXRYTMRVMV-QGZVFWFLSA-N 1 0 382.961 2.423 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000835167009 654367629 /nfs/dbraw/zinc/36/76/29/654367629.db2.gz PZSLETFCXYZZIW-VXGBXAGGSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1cccc(OC[C@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000905587005 654368244 /nfs/dbraw/zinc/36/82/44/654368244.db2.gz NYEHEAATMKRZEC-OAHLLOKOSA-N 1 0 380.286 2.473 20 0 GEADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1nc(Br)c[nH]1 ZINC000922111412 654368770 /nfs/dbraw/zinc/36/87/70/654368770.db2.gz XVRJANNYXCKLRF-LLVKDONJSA-N 1 0 387.303 2.019 20 0 GEADRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ncc(Br)cc1O ZINC000892880508 654368861 /nfs/dbraw/zinc/36/88/61/654368861.db2.gz BPNQNIGJBCPJLX-CQSZACIVSA-N 1 0 378.270 2.339 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)c1ccc(F)c(Br)c1 ZINC000905616935 654370050 /nfs/dbraw/zinc/37/00/50/654370050.db2.gz AUCBBTRTUJRRFG-RHSMWYFYSA-N 1 0 387.293 2.465 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@]3(C)CC3(Br)Br)C2)C1 ZINC000854606084 654370362 /nfs/dbraw/zinc/37/03/62/654370362.db2.gz WLAJUJJSUGNSTL-RYUDHWBXSA-N 1 0 380.124 2.437 20 0 GEADRO Cn1nc2c(c1C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)COCC2 ZINC000922148494 654372413 /nfs/dbraw/zinc/37/24/13/654372413.db2.gz LHOZEIAIAGFZFP-UHFFFAOYSA-N 1 0 383.901 2.100 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@@H]2CCSC(C)(C)C2)CCC1 ZINC000905664182 654372781 /nfs/dbraw/zinc/37/27/81/654372781.db2.gz RELXVUCAOJWIIJ-KGLIPLIRSA-N 1 0 378.604 2.252 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000922162528 654372769 /nfs/dbraw/zinc/37/27/69/654372769.db2.gz OHRKTIBJLGKHOI-CVEARBPZSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000854656282 654374031 /nfs/dbraw/zinc/37/40/31/654374031.db2.gz XNPQGNXPXAKNBX-FZMZJTMJSA-N 1 0 378.274 2.194 20 0 GEADRO CC[N@H+](CCNC(=O)NCc1nc2c(s1)COCC2)CCC(F)(F)F ZINC000922187575 654374669 /nfs/dbraw/zinc/37/46/69/654374669.db2.gz KDAOSNRCEQKTAK-UHFFFAOYSA-N 1 0 380.436 2.289 20 0 GEADRO C[NH+](C)CCONC(=O)Cc1ccc(Br)c(Br)c1 ZINC000854691260 654375238 /nfs/dbraw/zinc/37/52/38/654375238.db2.gz ZTCLWXGSGWBVNR-UHFFFAOYSA-N 1 0 380.080 2.364 20 0 GEADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1ccc(Br)cc1=O ZINC000893006752 654375745 /nfs/dbraw/zinc/37/57/45/654375745.db2.gz FVGAZYTYAAOTBT-DZGCQCFKSA-N 1 0 384.318 2.332 20 0 GEADRO CCN1C(=O)C[C@H](C[NH2+]Cc2nc(Br)c[nH]2)[C@H]1c1cccnc1 ZINC000922214803 654376379 /nfs/dbraw/zinc/37/63/79/654376379.db2.gz JSJWKNVBRLYJKP-MLGOLLRUSA-N 1 0 378.274 2.267 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000835268232 654376451 /nfs/dbraw/zinc/37/64/51/654376451.db2.gz QGUFYPQHQPNBTD-OLZOCXBDSA-N 1 0 395.301 2.034 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)NCC1(c2cccc(Br)c2)CC1 ZINC000893029791 654376611 /nfs/dbraw/zinc/37/66/11/654376611.db2.gz GWFKVUFBLHWQTL-UHFFFAOYSA-N 1 0 396.329 2.237 20 0 GEADRO Cc1nc(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)sc1Br ZINC000905735482 654377746 /nfs/dbraw/zinc/37/77/46/654377746.db2.gz SMCCKMSNMBWPSV-XPTSAGLGSA-N 1 0 387.303 2.154 20 0 GEADRO Cc1nc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)sc1Br ZINC000905735483 654377840 /nfs/dbraw/zinc/37/78/40/654377840.db2.gz SMCCKMSNMBWPSV-YMTOWFKASA-N 1 0 387.303 2.154 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000835305130 654378985 /nfs/dbraw/zinc/37/89/85/654378985.db2.gz XXDNZFWFIFGGTB-ZDUSSCGKSA-N 1 0 395.301 2.224 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(C(F)(F)Br)nc1 ZINC000854743135 654380532 /nfs/dbraw/zinc/38/05/32/654380532.db2.gz JFUSXYKQSLAVMW-LBPRGKRZSA-N 1 0 392.244 2.102 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CC1CCN(CC(F)F)CC1 ZINC000922274256 654380813 /nfs/dbraw/zinc/38/08/13/654380813.db2.gz BUJBBLAKBHMCIP-UHFFFAOYSA-N 1 0 398.239 2.091 20 0 GEADRO COc1cc(C[NH2+][C@@H](C)C(OC)OC)cc(I)c1OC ZINC000922312241 654382525 /nfs/dbraw/zinc/38/25/25/654382525.db2.gz UEVJLXBSPIBOHC-VIFPVBQESA-N 1 0 395.237 2.405 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2)C1 ZINC000905913034 654390603 /nfs/dbraw/zinc/39/06/03/654390603.db2.gz UNPWYDHUVJOKSX-CXAGYDPISA-N 1 0 376.469 2.213 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC[C@H]21 ZINC000872724864 654393378 /nfs/dbraw/zinc/39/33/78/654393378.db2.gz YYXDCAIZCFCQJF-ZWNOBZJWSA-N 1 0 384.249 2.480 20 0 GEADRO O[C@@H](C[NH2+]CC1(Cc2ccc(Br)cc2)CC1)C[C@]1(O)CCOC1 ZINC000905961838 654394804 /nfs/dbraw/zinc/39/48/04/654394804.db2.gz DKESNYAHMJPBTP-SJLPKXTDSA-N 1 0 384.314 2.264 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)NCCn1cc(Br)cn1)c1cccnc1 ZINC000922458424 654394849 /nfs/dbraw/zinc/39/48/49/654394849.db2.gz PCSHRENFEICIMK-OAHLLOKOSA-N 1 0 395.305 2.033 20 0 GEADRO O=C1COc2ccccc2CN1CC[NH2+]Cc1cncc(Br)c1 ZINC000922460426 654395137 /nfs/dbraw/zinc/39/51/37/654395137.db2.gz FCFBEBKSOULJAD-UHFFFAOYSA-N 1 0 376.254 2.355 20 0 GEADRO CC[C@@H](NC(=O)NCC[NH+]1CCC(O)CC1)c1nc(C(F)(F)F)cs1 ZINC000893362143 654398458 /nfs/dbraw/zinc/39/84/58/654398458.db2.gz XESCJMBBCDIIFK-LLVKDONJSA-N 1 0 380.436 2.369 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000855159367 654398915 /nfs/dbraw/zinc/39/89/15/654398915.db2.gz FIACLCYCQPMNLK-GFCCVEGCSA-N 1 0 387.933 2.098 20 0 GEADRO C[C@H]([NH2+][C@H](CCO)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000893491950 654403768 /nfs/dbraw/zinc/40/37/68/654403768.db2.gz WVJJSJUPXSJBTQ-YWPYICTPSA-N 1 0 376.316 2.285 20 0 GEADRO COc1nsc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c1Br ZINC000922619183 654404220 /nfs/dbraw/zinc/40/42/20/654404220.db2.gz DBYKPGFIEATOII-UHFFFAOYSA-N 1 0 393.303 2.052 20 0 GEADRO CCN1CC[C@H]([NH2+]C2CC(S(C)(=O)=O)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000893497559 654404240 /nfs/dbraw/zinc/40/42/40/654404240.db2.gz GGLNMBOPAXMXQR-VDPJLGHJSA-N 1 0 376.444 2.404 20 0 GEADRO Cn1cc(CN[C@@H](CC[NH+](C)C)c2cccnc2)c(I)n1 ZINC000922632868 654404922 /nfs/dbraw/zinc/40/49/22/654404922.db2.gz NAZXTRCMWJPWAN-AWEZNQCLSA-N 1 0 399.280 2.202 20 0 GEADRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000922636423 654405411 /nfs/dbraw/zinc/40/54/11/654405411.db2.gz ASVGTZULVWVACA-UHFFFAOYSA-N 1 0 386.315 2.415 20 0 GEADRO COc1cc(C[NH2+][C@H]2COC[C@@H]2C)cc(I)c1OC ZINC000922642407 654405558 /nfs/dbraw/zinc/40/55/58/654405558.db2.gz DFIZLUQPENTWJG-CABZTGNLSA-N 1 0 377.222 2.433 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCc1nc2c(s1)CCC2 ZINC000922716896 654409967 /nfs/dbraw/zinc/40/99/67/654409967.db2.gz YQCIRNWPSDRXBY-UHFFFAOYSA-N 1 0 388.278 2.302 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000906056753 654410609 /nfs/dbraw/zinc/41/06/09/654410609.db2.gz ACHCQUOPCXUVCQ-SHACYNPGSA-N 1 0 389.543 2.182 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731883 654410628 /nfs/dbraw/zinc/41/06/28/654410628.db2.gz IBARRVNHMOXPPH-HOSYDEDBSA-N 1 0 385.839 2.493 20 0 GEADRO Fc1cccc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1I ZINC000873044874 654411855 /nfs/dbraw/zinc/41/18/55/654411855.db2.gz XQMSSORSGFZAJA-STQMWFEESA-N 1 0 390.240 2.383 20 0 GEADRO CC1([NH+]2CCCCC2)CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1 ZINC000873062010 654412351 /nfs/dbraw/zinc/41/23/51/654412351.db2.gz NFAHGKCKIHORJU-RUZDIDTESA-N 1 0 383.480 2.347 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000893651629 654413577 /nfs/dbraw/zinc/41/35/77/654413577.db2.gz PEXWSSYPUQORNU-OAHLLOKOSA-N 1 0 397.361 2.269 20 0 GEADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000873100898 654414920 /nfs/dbraw/zinc/41/49/20/654414920.db2.gz HZLYDALLICQXMX-GFCCVEGCSA-N 1 0 386.279 2.207 20 0 GEADRO CCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@H]1CC[N@H+](C)C1 ZINC000855363986 654415100 /nfs/dbraw/zinc/41/51/00/654415100.db2.gz XCZUASFXJCRNOL-LBPRGKRZSA-N 1 0 378.274 2.196 20 0 GEADRO COCCC1(C(=O)OCc2ccc(Br)nc2N)CC[NH+](C)CC1 ZINC000922826538 654415833 /nfs/dbraw/zinc/41/58/33/654415833.db2.gz BBYSOSJMYAXSTM-UHFFFAOYSA-N 1 0 386.290 2.218 20 0 GEADRO CSc1cccc(C)c1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873107231 654415977 /nfs/dbraw/zinc/41/59/77/654415977.db2.gz MQACDTMFSAYOOM-GHMZBOCLSA-N 1 0 375.416 2.251 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cnc(Br)s1 ZINC000906090874 654416117 /nfs/dbraw/zinc/41/61/17/654416117.db2.gz WNOZVVAFMTXXIB-UHFFFAOYSA-N 1 0 376.320 2.336 20 0 GEADRO CN(C)c1cc[nH+]c(CNC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)c1 ZINC000906202208 654421047 /nfs/dbraw/zinc/42/10/47/654421047.db2.gz ZHRJXBXAWDMTAX-UHFFFAOYSA-N 1 0 387.914 2.094 20 0 GEADRO Brc1ccc(C[NH2+]CCO[C@@H]2CCOC2)c(N2CCOCC2)c1 ZINC000922941016 654421122 /nfs/dbraw/zinc/42/11/22/654421122.db2.gz QXNHIZYHGWAHKV-MRXNPFEDSA-N 1 0 385.302 2.181 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2cccc3c2OCC3)cc1Br ZINC000922940848 654421214 /nfs/dbraw/zinc/42/12/14/654421214.db2.gz FVNBZIIXCSSBJG-UHFFFAOYSA-N 1 0 397.294 2.321 20 0 GEADRO CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000855490465 654421738 /nfs/dbraw/zinc/42/17/38/654421738.db2.gz JTJKKYMIGJIEPS-CYBMUJFWSA-N 1 0 387.933 2.147 20 0 GEADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000922973122 654422767 /nfs/dbraw/zinc/42/27/67/654422767.db2.gz NVPNVMPYDOJYPK-HNNXBMFYSA-N 1 0 376.258 2.396 20 0 GEADRO O=S1(=O)CCN(c2cccc(NCc3cc4c(s3)CC[NH2+]C4)c2)CC1 ZINC000873211546 654422907 /nfs/dbraw/zinc/42/29/07/654422907.db2.gz BSXHDUHIJDCQNH-UHFFFAOYSA-N 1 0 377.535 2.241 20 0 GEADRO Cn1nc(Br)cc1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000855529395 654423989 /nfs/dbraw/zinc/42/39/89/654423989.db2.gz NTOUJVPZRMPIOS-UHFFFAOYSA-N 1 0 392.301 2.220 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(C3CCOCC3)s2)C[C@H]1C(F)(F)F ZINC000873328428 654424719 /nfs/dbraw/zinc/42/47/19/654424719.db2.gz OBJIVIUBPRIBDZ-VHSXEESVSA-N 1 0 379.408 2.033 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)n1 ZINC000893859136 654427525 /nfs/dbraw/zinc/42/75/25/654427525.db2.gz JGIIKOYBQVIHFC-WCQYABFASA-N 1 0 383.290 2.479 20 0 GEADRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)nnn1-c1ccccc1Br ZINC000906358404 654431235 /nfs/dbraw/zinc/43/12/35/654431235.db2.gz HWYRFGLVWFNNDI-LBPRGKRZSA-N 1 0 378.274 2.020 20 0 GEADRO Cn1nc(Br)nc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000893916041 654431327 /nfs/dbraw/zinc/43/13/27/654431327.db2.gz CUGZQEQUTUABRV-UHFFFAOYSA-N 1 0 382.281 2.425 20 0 GEADRO C[N@@H+]1CC[C@H]1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000923223412 654435022 /nfs/dbraw/zinc/43/50/22/654435022.db2.gz FECHXHUVIPRBBX-LBPRGKRZSA-N 1 0 380.246 2.002 20 0 GEADRO Cn1ncc(I)c1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000893986592 654436230 /nfs/dbraw/zinc/43/62/30/654436230.db2.gz PNLSKPGEOAEGDD-ZDUSSCGKSA-N 1 0 388.297 2.475 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)CC1 ZINC000906428471 654436667 /nfs/dbraw/zinc/43/66/67/654436667.db2.gz SPKIBVKKBXGGKC-AFAVFJNCSA-N 1 0 392.297 2.365 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000906459701 654440565 /nfs/dbraw/zinc/44/05/65/654440565.db2.gz NXNAOLHYJXMIJK-UONOGXRCSA-N 1 0 380.901 2.239 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2cn(C)nc2I)[C@@H](C)C1 ZINC000894050046 654442658 /nfs/dbraw/zinc/44/26/58/654442658.db2.gz LDLDDKUJPASVTK-AAEUAGOBSA-N 1 0 376.286 2.187 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2cn(C)nc2I)[C@H](C)C1 ZINC000894050049 654442751 /nfs/dbraw/zinc/44/27/51/654442751.db2.gz LDLDDKUJPASVTK-YPMHNXCESA-N 1 0 376.286 2.187 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(Cc2cn(C)nc2I)C1 ZINC000894062866 654443698 /nfs/dbraw/zinc/44/36/98/654443698.db2.gz FKGWTFZPNZRUSY-GFCCVEGCSA-N 1 0 376.286 2.188 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(Cc2c(I)cnn2C)C1 ZINC000894058789 654443735 /nfs/dbraw/zinc/44/37/35/654443735.db2.gz XZPVCSIWQQSAEP-LBPRGKRZSA-N 1 0 376.286 2.188 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)Nc2c(F)cc(Cl)cc2Br)CC1 ZINC000873653567 654444751 /nfs/dbraw/zinc/44/47/51/654444751.db2.gz COMBZZCETZHKEO-UHFFFAOYSA-N 1 0 392.656 2.391 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000873660103 654445277 /nfs/dbraw/zinc/44/52/77/654445277.db2.gz XOJTVGGOLFGSAH-UHFFFAOYSA-N 1 0 396.285 2.139 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000873662982 654445698 /nfs/dbraw/zinc/44/56/98/654445698.db2.gz AYADOUZISTTXND-NSHDSACASA-N 1 0 396.285 2.191 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000873666543 654446045 /nfs/dbraw/zinc/44/60/45/654446045.db2.gz KDOIFGSGMLJJKH-QWHCGFSZSA-N 1 0 396.285 2.139 20 0 GEADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000923355509 654446350 /nfs/dbraw/zinc/44/63/50/654446350.db2.gz NARBSXGEYYYRKC-WFASDCNBSA-N 1 0 385.295 2.113 20 0 GEADRO Cn1cc(CNC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000923357675 654446397 /nfs/dbraw/zinc/44/63/97/654446397.db2.gz ZUULKVAUUSLDQT-HNNXBMFYSA-N 1 0 392.301 2.256 20 0 GEADRO Cn1nc(Br)nc1CNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000894109995 654447725 /nfs/dbraw/zinc/44/77/25/654447725.db2.gz BUXBISDAAMOGKE-UHFFFAOYSA-N 1 0 380.290 2.146 20 0 GEADRO Cn1cc(C[NH2+]CCc2ccc3c(c2)OCO3)c(I)n1 ZINC000894152654 654450594 /nfs/dbraw/zinc/45/05/94/654450594.db2.gz RFDFUGXMMBEEGN-UHFFFAOYSA-N 1 0 385.205 2.086 20 0 GEADRO CC1(C)CC[NH2+]CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923415428 654451721 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COCC[N@@H+]1CC[C@H](NC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)C1 ZINC000906619245 654454128 /nfs/dbraw/zinc/45/41/28/654454128.db2.gz PNEPBTTYSQMFOQ-LBPRGKRZSA-N 1 0 384.267 2.025 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000923451203 654454076 /nfs/dbraw/zinc/45/40/76/654454076.db2.gz JXVFJISBXHTTPZ-CQSZACIVSA-N 1 0 382.306 2.397 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873718984 654454169 /nfs/dbraw/zinc/45/41/69/654454169.db2.gz XQMBUSZTYKJOJT-LLVKDONJSA-N 1 0 398.301 2.169 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000894199995 654455257 /nfs/dbraw/zinc/45/52/57/654455257.db2.gz ORQDUASOUZNXNF-CYBMUJFWSA-N 1 0 387.269 2.426 20 0 GEADRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1I)c1cccs1 ZINC000894384134 654471709 /nfs/dbraw/zinc/47/17/09/654471709.db2.gz LFJIRNRBHQUHKA-LLVKDONJSA-N 1 0 390.294 2.479 20 0 GEADRO C[C@H](CNCc1c(I)cnn1C)[NH+]1CCC(C)CC1 ZINC000894209727 654456438 /nfs/dbraw/zinc/45/64/38/654456438.db2.gz UYVBQJFKLYANDY-GFCCVEGCSA-N 1 0 376.286 2.235 20 0 GEADRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2nc(Br)nn2C)C1 ZINC000894215826 654456804 /nfs/dbraw/zinc/45/68/04/654456804.db2.gz CERARGDNEUVSPH-LBPRGKRZSA-N 1 0 380.290 2.202 20 0 GEADRO CCc1nc(CC[NH2+]Cc2cn(C)nc2I)cs1 ZINC000894214922 654456839 /nfs/dbraw/zinc/45/68/39/654456839.db2.gz KSGYYUBXOONSBA-UHFFFAOYSA-N 1 0 376.267 2.376 20 0 GEADRO C[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923497940 654457295 /nfs/dbraw/zinc/45/72/95/654457295.db2.gz NLQSJYSVCQXMHV-CHWSQXEVSA-N 1 0 375.332 2.140 20 0 GEADRO C[C@H]1C[N@H+](CC(=O)Nc2ccc(I)cc2)CC[C@@H]1C[NH3+] ZINC000923506000 654457762 /nfs/dbraw/zinc/45/77/62/654457762.db2.gz DUZULQDYDUODLG-NWDGAFQWSA-N 1 0 387.265 2.146 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000894231284 654457922 /nfs/dbraw/zinc/45/79/22/654457922.db2.gz PKCOAMMQUKMLQH-UHFFFAOYSA-N 1 0 378.274 2.037 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)COc2ccc(Br)c(C)c2)CC1 ZINC000906672827 654458453 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O=C(NCc1cnc(Br)cn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000923530851 654462734 /nfs/dbraw/zinc/46/27/34/654462734.db2.gz CQLYHIJBOQKVNJ-CQSZACIVSA-N 1 0 382.306 2.399 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@H](O)C(Cl)(Cl)Cl)[C@H](C)C1 ZINC000906710010 654463397 /nfs/dbraw/zinc/46/33/97/654463397.db2.gz HMHPPRMMJDASEQ-AGIUHOORSA-N 1 0 389.751 2.361 20 0 GEADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906714779 654463782 /nfs/dbraw/zinc/46/37/82/654463782.db2.gz AZSFMMMNQWLGEQ-UHFFFAOYSA-N 1 0 376.507 2.459 20 0 GEADRO O=c1cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)nc2ccc(Br)cn12 ZINC000923535981 654464543 /nfs/dbraw/zinc/46/45/43/654464543.db2.gz GQLHALJDLFWWBJ-QGZVFWFLSA-N 1 0 377.286 2.175 20 0 GEADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906727045 654464728 /nfs/dbraw/zinc/46/47/28/654464728.db2.gz KKFUZKFXWAHFAE-JFGNBEQYSA-N 1 0 376.869 2.411 20 0 GEADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2c(I)cnn2C)C1 ZINC000894325269 654465186 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GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNCc2c(I)cnn2C)C1 ZINC000894359566 654469452 /nfs/dbraw/zinc/46/94/52/654469452.db2.gz OLSTVNGQGJWCSS-ZDUSSCGKSA-N 1 0 390.313 2.482 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906764791 654469749 /nfs/dbraw/zinc/46/97/49/654469749.db2.gz IOICGVXWPORYDM-HNNXBMFYSA-N 1 0 386.677 2.396 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000873824033 654469795 /nfs/dbraw/zinc/46/97/95/654469795.db2.gz RALBABCPRDLOMK-ZDUSSCGKSA-N 1 0 396.285 2.091 20 0 GEADRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1cn(C)nc1I)C2 ZINC000894368314 654469991 /nfs/dbraw/zinc/46/99/91/654469991.db2.gz PJDJVBRZHMCYJP-LBPRGKRZSA-N 1 0 399.232 2.127 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)c(F)cc1Br ZINC000906772211 654470649 /nfs/dbraw/zinc/47/06/49/654470649.db2.gz OVIXECAORHWQFJ-INIZCTEOSA-N 1 0 384.249 2.190 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1SCCS1 ZINC000856216078 654470753 /nfs/dbraw/zinc/47/07/53/654470753.db2.gz 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UEXOJHQRAHCCEW-NXEZZACHSA-N 1 0 375.803 2.242 20 0 GEADRO O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000927822707 654616014 /nfs/dbraw/zinc/61/60/14/654616014.db2.gz XKGVNWKUXFVCGW-CQSZACIVSA-N 1 0 386.279 2.207 20 0 GEADRO CC(C)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927844828 654616696 /nfs/dbraw/zinc/61/66/96/654616696.db2.gz ILJKBGJMWQPGMM-GHMZBOCLSA-N 1 0 375.416 2.474 20 0 GEADRO CSc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1C ZINC000927841399 654616705 /nfs/dbraw/zinc/61/67/05/654616705.db2.gz HWEZURPKVILIII-NWDGAFQWSA-N 1 0 375.416 2.394 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927843613 654616728 /nfs/dbraw/zinc/61/67/28/654616728.db2.gz ZQXGBWHVRAGSKS-NXEZZACHSA-N 1 0 394.191 2.044 20 0 GEADRO CSc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1C ZINC000927848008 654617164 /nfs/dbraw/zinc/61/71/64/654617164.db2.gz ZNHSVUZXLUNAMC-QWRGUYRKSA-N 1 0 375.416 2.394 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1Br ZINC000927868367 654618575 /nfs/dbraw/zinc/61/85/75/654618575.db2.gz IOKCPIMBCTZKBI-SJKOYZFVSA-N 1 0 398.276 2.484 20 0 GEADRO Cc1cccc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1Br ZINC000927868562 654618625 /nfs/dbraw/zinc/61/86/25/654618625.db2.gz JIIIIZMFDZIQEO-CXAGYDPISA-N 1 0 380.286 2.344 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)ccc1Br ZINC000927869859 654618634 /nfs/dbraw/zinc/61/86/34/654618634.db2.gz XXTBJUXFVPNDOE-RHSMWYFYSA-N 1 0 380.286 2.344 20 0 GEADRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)Nc1cc(F)ccc1Br ZINC000927870042 654618671 /nfs/dbraw/zinc/61/86/71/654618671.db2.gz NCESQVBMXQZVHQ-CZUORRHYSA-N 1 0 384.249 2.175 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC000927868233 654618704 /nfs/dbraw/zinc/61/87/04/654618704.db2.gz ATPLNBWCEOUVFD-RHSMWYFYSA-N 1 0 380.286 2.344 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000927885692 654619545 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2.448 20 0 GEADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000908317503 654621494 /nfs/dbraw/zinc/62/14/94/654621494.db2.gz ABVWSWGTPIJPRZ-CHWSQXEVSA-N 1 0 381.687 2.313 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927924759 654621720 /nfs/dbraw/zinc/62/17/20/654621720.db2.gz FWFFHMYLCFXZTP-MRXNPFEDSA-N 1 0 384.249 2.271 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927925807 654621746 /nfs/dbraw/zinc/62/17/46/654621746.db2.gz WCNJDBGAYCGNSW-MRXNPFEDSA-N 1 0 384.249 2.271 20 0 GEADRO O=C(CCOCC(F)(F)C(F)(F)F)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928085636 654629559 /nfs/dbraw/zinc/62/95/59/654629559.db2.gz JIVJDIGXOAORSW-MNOVXSKESA-N 1 0 376.391 2.287 20 0 GEADRO O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928095538 654630046 /nfs/dbraw/zinc/63/00/46/654630046.db2.gz KFZBFSURZZHSRR-GJZGRUSLSA-N 1 0 382.913 2.350 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1ccc(Br)cc1Cl ZINC000908453301 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394.313 2.122 20 0 GEADRO C[C@@H](C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@H]1CCCO1 ZINC000909261044 654657526 /nfs/dbraw/zinc/65/75/26/654657526.db2.gz FWZBEBGEQFRTND-IUODEOHRSA-N 1 0 397.317 2.350 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000909327485 654660140 /nfs/dbraw/zinc/66/01/40/654660140.db2.gz DMRCDYQLGFUIDR-KRWDZBQOSA-N 1 0 385.295 2.389 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1cccnc1 ZINC000928832237 654661952 /nfs/dbraw/zinc/66/19/52/654661952.db2.gz AHOUYKRCVZJUTL-CQSZACIVSA-N 1 0 379.258 2.368 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2nscc2I)C1 ZINC000909435811 654664778 /nfs/dbraw/zinc/66/47/78/654664778.db2.gz BPCDOZIIUDQVKQ-SECBINFHSA-N 1 0 379.267 2.302 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)NCCc2cccc(Br)c2C)CC1 ZINC000929199065 654675555 /nfs/dbraw/zinc/67/55/55/654675555.db2.gz XUQCOIXWERYAGK-UHFFFAOYSA-N 1 0 396.329 2.017 20 0 GEADRO CN(C)C(=O)CN1CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000929227550 654676096 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LLJWGJIYSHKXGA-WDEREUQCSA-N 1 0 391.278 2.494 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(c2ccc(-c3nnc(Br)o3)cc2)[C@H](C)C1 ZINC000912061234 654741861 /nfs/dbraw/zinc/74/18/61/654741861.db2.gz VDGXBBRMQOJSDN-NEPJUHHUSA-N 1 0 381.274 2.390 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(c2ccc(-c3nnc(Br)o3)cc2)[C@@H](C)C1 ZINC000912061237 654741906 /nfs/dbraw/zinc/74/19/06/654741906.db2.gz VDGXBBRMQOJSDN-RYUDHWBXSA-N 1 0 381.274 2.390 20 0 GEADRO CN(CC(=O)NC(C)(C)C)C(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000912101783 654742917 /nfs/dbraw/zinc/74/29/17/654742917.db2.gz HTLBFACUIXHNJR-AWEZNQCLSA-N 1 0 384.318 2.082 20 0 GEADRO Cc1ncc([C@H](C)[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000931468615 654743109 /nfs/dbraw/zinc/74/31/09/654743109.db2.gz ZEISPYCZLASQHE-FZMZJTMJSA-N 1 0 375.560 2.104 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)s2)cs1 ZINC000912136246 654743863 /nfs/dbraw/zinc/74/38/63/654743863.db2.gz XLLLTKIWESWSDT-INIZCTEOSA-N 1 0 380.539 2.286 20 0 GEADRO 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MTAQBAHYEOLMBB-QGZVFWFLSA-N 1 0 394.313 2.323 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000931647847 654750762 /nfs/dbraw/zinc/75/07/62/654750762.db2.gz HFVIGOQZKVTMET-NSHDSACASA-N 1 0 381.278 2.486 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000931660277 654751688 /nfs/dbraw/zinc/75/16/88/654751688.db2.gz DQXCNSGSLXEBCV-CYBMUJFWSA-N 1 0 383.290 2.111 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N1CCC[C@@H]1c1ccccc1Cl ZINC000912394826 654752252 /nfs/dbraw/zinc/75/22/52/654752252.db2.gz PMQIWDOXTONFIJ-JWZBEHFJSA-N 1 0 382.913 2.026 20 0 GEADRO COC1(OC)CCOC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Br ZINC000931672704 654752665 /nfs/dbraw/zinc/75/26/65/654752665.db2.gz ISIWKXXZYUOXCG-AWEZNQCLSA-N 1 0 387.274 2.145 20 0 GEADRO CC(C)N(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21 ZINC000912413026 654753296 /nfs/dbraw/zinc/75/32/96/654753296.db2.gz KKOJWGQUZDQFRN-PVAVHDDUSA-N 1 0 384.929 2.100 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc(F)c(Br)c1F ZINC000931971225 654762803 /nfs/dbraw/zinc/76/28/03/654762803.db2.gz OXILJGVSOLHLTB-UHFFFAOYSA-N 1 0 378.217 2.306 20 0 GEADRO C[C@@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)CS(C)(=O)=O ZINC000932068652 654765263 /nfs/dbraw/zinc/76/52/63/654765263.db2.gz ZGSSGQMNFDDKBY-NUEKZKHPSA-N 1 0 378.460 2.320 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cnc2Br)C1 ZINC000932072853 654765598 /nfs/dbraw/zinc/76/55/98/654765598.db2.gz ZYDNHGLYJMFUHE-VIFPVBQESA-N 1 0 377.080 2.431 20 0 GEADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000912806924 654768882 /nfs/dbraw/zinc/76/88/82/654768882.db2.gz XCBYAGZLDKQNJO-DOMZBBRYSA-N 1 0 387.933 2.180 20 0 GEADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000912814309 654769076 /nfs/dbraw/zinc/76/90/76/654769076.db2.gz VOHMBCNQCXSHFB-HIFRSBDPSA-N 1 0 384.318 2.190 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)C1 ZINC000932193985 654769710 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GEADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000932297904 654774359 /nfs/dbraw/zinc/77/43/59/654774359.db2.gz FJDSQAJNPISSHW-TZMCWYRMSA-N 1 0 392.297 2.475 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912924483 654774476 /nfs/dbraw/zinc/77/44/76/654774476.db2.gz WPEVEPSECFGUOJ-ZDUSSCGKSA-N 1 0 376.507 2.306 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cnc(CCC(F)(F)F)s1 ZINC000932472019 654778564 /nfs/dbraw/zinc/77/85/64/654778564.db2.gz BRPWLRWGFCMCOK-UHFFFAOYSA-N 1 0 378.464 2.348 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CC(Cc3cccc(Br)c3)C2)CC1 ZINC000913095271 654782705 /nfs/dbraw/zinc/78/27/05/654782705.db2.gz FXAASQBTXXLDSC-UHFFFAOYSA-N 1 0 380.330 2.088 20 0 GEADRO CSCC1CC[NH+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000932595097 654783067 /nfs/dbraw/zinc/78/30/67/654783067.db2.gz OHRVQSQGMXRGEB-UHFFFAOYSA-N 1 0 381.567 2.108 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)C1 ZINC000932619576 654783948 /nfs/dbraw/zinc/78/39/48/654783948.db2.gz NYTGHUVNAOTPRG-AWEZNQCLSA-N 1 0 383.583 2.483 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)NCc1cc(F)c(Br)cc1F ZINC000913151090 654785397 /nfs/dbraw/zinc/78/53/97/654785397.db2.gz ROCSDRTWHCJCTP-UHFFFAOYSA-N 1 0 387.228 2.415 20 0 GEADRO COc1cc(Br)cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000932691916 654785789 /nfs/dbraw/zinc/78/57/89/654785789.db2.gz TWGQIYOVOGCPDU-KRWDZBQOSA-N 1 0 398.345 2.460 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2nc(C(C)C)ncc2Br)CC1 ZINC000932703390 654786017 /nfs/dbraw/zinc/78/60/17/654786017.db2.gz OBPYFRIZYNQVIC-CYBMUJFWSA-N 1 0 398.349 2.118 20 0 GEADRO COc1cc(Br)cc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1 ZINC000932721258 654786566 /nfs/dbraw/zinc/78/65/66/654786566.db2.gz BVJBFGZJOOZLEY-UHFFFAOYSA-N 1 0 398.345 2.461 20 0 GEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3nscc3I)C[C@@]2(C)C1 ZINC000913274923 654787695 /nfs/dbraw/zinc/78/76/95/654787695.db2.gz QRYFHDWLPVROTO-CHWSQXEVSA-N 1 0 391.278 2.162 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913288196 654787589 /nfs/dbraw/zinc/78/75/89/654787589.db2.gz NIBYJDXKYWBBIT-IRXDYDNUSA-N 1 0 381.318 2.324 20 0 GEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)C[C@@]2(C)C1 ZINC000913273000 654787641 /nfs/dbraw/zinc/78/76/41/654787641.db2.gz DZSLSQIRVOPERU-HDICACEKSA-N 1 0 394.313 2.360 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2cnc(C)c(Br)c2C)CC[N@H+](C)C1 ZINC000932772653 654789575 /nfs/dbraw/zinc/78/95/75/654789575.db2.gz NQRQDVGJAVMEKS-LBPRGKRZSA-N 1 0 399.289 2.029 20 0 GEADRO CCOc1ccc([C@]2(C(=O)NCC[N@@H+]3CC[C@H](O)C3)CC2(Cl)Cl)cc1 ZINC000913352951 654789636 /nfs/dbraw/zinc/78/96/36/654789636.db2.gz ZYBGKOZVVABLAU-YOEHRIQHSA-N 1 0 387.307 2.084 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000932791906 654790753 /nfs/dbraw/zinc/79/07/53/654790753.db2.gz CZTKQUVVEQXOAC-RISCZKNCSA-N 1 0 380.286 2.285 20 0 GEADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCN(Cc2cncs2)CC1 ZINC000913410332 654790799 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GEADRO O=C(NC12CC[NH+](CC1)C2)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000913631407 654801993 /nfs/dbraw/zinc/80/19/93/654801993.db2.gz UMXKKGVBPQHHBM-INIZCTEOSA-N 1 0 384.307 2.331 20 0 GEADRO Cc1ccc(-n2cnnc2SCC(=O)NC23CC[NH+](CC2)C3)cc1Cl ZINC000913626963 654802046 /nfs/dbraw/zinc/80/20/46/654802046.db2.gz OUCAWARKAWWBAK-UHFFFAOYSA-N 1 0 377.901 2.286 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000913680509 654804022 /nfs/dbraw/zinc/80/40/22/654804022.db2.gz SGKTUQFUPCCZCG-UHFFFAOYSA-N 1 0 375.332 2.358 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N2CC[NH+](CCCCCO)CC2)c1 ZINC000913694508 654804704 /nfs/dbraw/zinc/80/47/04/654804704.db2.gz SFDKPPQCOQMDCE-UHFFFAOYSA-N 1 0 398.345 2.436 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1c(F)ccc(Br)c1F ZINC000933289701 654806356 /nfs/dbraw/zinc/80/63/56/654806356.db2.gz PYGTYCJWRQMJRJ-SECBINFHSA-N 1 0 377.233 2.095 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)CC[C@@H]21 ZINC000913760703 654807939 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390.285 2.339 20 0 GEADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)cc1Br ZINC000913820602 654811086 /nfs/dbraw/zinc/81/10/86/654811086.db2.gz FDHUHKKBZWMARU-UHFFFAOYSA-N 1 0 379.295 2.444 20 0 GEADRO COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000933386593 654811216 /nfs/dbraw/zinc/81/12/16/654811216.db2.gz KUMDJQHKUREMIB-FZMZJTMJSA-N 1 0 375.847 2.191 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCc1ccco1 ZINC000933437551 654813183 /nfs/dbraw/zinc/81/31/83/654813183.db2.gz PADLULMIKIYXGY-QGZVFWFLSA-N 1 0 381.270 2.242 20 0 GEADRO COc1coc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1=O ZINC000933437306 654813201 /nfs/dbraw/zinc/81/32/01/654813201.db2.gz LWDHJXHSJFCIBM-QGZVFWFLSA-N 1 0 382.254 2.494 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCCc1ccc(Br)s1 ZINC000913880761 654813470 /nfs/dbraw/zinc/81/34/70/654813470.db2.gz ZMUTUTPCLNIORL-AWEZNQCLSA-N 1 0 393.372 2.458 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000933442491 654813666 /nfs/dbraw/zinc/81/36/66/654813666.db2.gz SGBOQEFGJWAUDO-KSZLIROESA-N 1 0 386.330 2.244 20 0 GEADRO C[NH+](C)C1CCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000913912447 654815532 /nfs/dbraw/zinc/81/55/32/654815532.db2.gz CJUAWAQVCMVPPA-UHFFFAOYSA-N 1 0 379.295 2.444 20 0 GEADRO O=C(c1cc(Br)cn2ncnc12)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000933596178 654817849 /nfs/dbraw/zinc/81/78/49/654817849.db2.gz WEAKOZCXAITJNQ-CYBMUJFWSA-N 1 0 392.301 2.440 20 0 GEADRO COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933698172 654820478 /nfs/dbraw/zinc/82/04/78/654820478.db2.gz AKVRUUHTRJGDQS-NEPJUHHUSA-N 1 0 382.507 2.044 20 0 GEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000914081544 654825349 /nfs/dbraw/zinc/82/53/49/654825349.db2.gz YKRCUMIWXIDDHP-LLVKDONJSA-N 1 0 379.295 2.349 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933748907 654826386 /nfs/dbraw/zinc/82/63/86/654826386.db2.gz WPMVCYVJXVHVIN-MAUKXSAKSA-N 1 0 380.330 2.291 20 0 GEADRO 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CN(C)c1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164959545 722052922 /nfs/dbraw/zinc/05/29/22/722052922.db2.gz MQFJVMZHYJQOAB-UHFFFAOYSA-N 1 0 382.512 2.057 20 0 GEADRO CC1CCN(C(=O)c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2)CC1 ZINC001164967818 722075321 /nfs/dbraw/zinc/07/53/21/722075321.db2.gz XUSUCNGDEKRIOM-BGYRXZFFSA-N 1 0 384.524 2.253 20 0 GEADRO C[NH+](C)Cc1ccnc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@@H]3C2)c1 ZINC001164973936 722090863 /nfs/dbraw/zinc/09/08/63/722090863.db2.gz LNATWEOCZSWTJT-SJLPKXTDSA-N 1 0 386.521 2.143 20 0 GEADRO CCOC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164976547 722100564 /nfs/dbraw/zinc/10/05/64/722100564.db2.gz DVKABZBYHAMWTG-VQTJNVASSA-N 1 0 396.491 2.381 20 0 GEADRO COc1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981309 722101111 /nfs/dbraw/zinc/10/11/11/722101111.db2.gz KYKMGUPUAFJQBI-RDJZCZTQSA-N 1 0 389.887 2.261 20 0 GEADRO Cc1cc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164981859 722109196 /nfs/dbraw/zinc/10/91/96/722109196.db2.gz VJRHSOCBXPZHDI-PKOBYXMFSA-N 1 0 378.480 2.389 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ncnc5c4CCCC5)CC[C@H]3C2)c1 ZINC001164976419 722112397 /nfs/dbraw/zinc/11/23/97/722112397.db2.gz LOBLFFGAFCOSRE-GHTZIAJQSA-N 1 0 379.508 2.478 20 0 GEADRO COc1cc(OC)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971404 722117056 /nfs/dbraw/zinc/11/70/56/722117056.db2.gz CEJQUYPTFJOBAF-MJGOQNOKSA-N 1 0 384.480 2.221 20 0 GEADRO c1nc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2s1 ZINC001164981865 722127218 /nfs/dbraw/zinc/12/72/18/722127218.db2.gz VJTDRYGARXYHGD-NVXWUHKLSA-N 1 0 382.493 2.209 20 0 GEADRO CCN(CC)c1cncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974359 722131389 /nfs/dbraw/zinc/13/13/89/722131389.db2.gz DJJLQSHNLDKTFM-PMACEKPBSA-N 1 0 396.539 2.445 20 0 GEADRO c1nnc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)o1 ZINC001164981599 722146314 /nfs/dbraw/zinc/14/63/14/722146314.db2.gz POOGQFBUWQHVLL-MOPGFXCFSA-N 1 0 392.463 2.254 20 0 GEADRO CC(C)Oc1nccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973167 722149708 /nfs/dbraw/zinc/14/97/08/722149708.db2.gz BHUWQTLWEWHDFS-RTBURBONSA-N 1 0 383.496 2.386 20 0 GEADRO COc1ncc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972175 722152197 /nfs/dbraw/zinc/15/21/97/722152197.db2.gz GJSQZJWLCOHKSE-DOTOQJQBSA-N 1 0 389.887 2.261 20 0 GEADRO NS(=O)(=O)c1cccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996494 722213691 /nfs/dbraw/zinc/21/36/91/722213691.db2.gz NPRNMSYFJQDYPG-LJQANCHMSA-N 1 0 390.484 2.113 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)nc3nc[nH]c31)CCC2 ZINC001165000856 722253013 /nfs/dbraw/zinc/25/30/13/722253013.db2.gz VMXITTOYBRRKAY-UHFFFAOYSA-N 1 0 389.891 2.296 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)c(F)cc1N)CCC2 ZINC001165002724 722255197 /nfs/dbraw/zinc/25/51/97/722255197.db2.gz UDFYQELXDFZENW-UHFFFAOYSA-N 1 0 382.871 2.141 20 0 GEADRO Cc1noc(-c2cccnc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003737 722256829 /nfs/dbraw/zinc/25/68/29/722256829.db2.gz GVVWCPOQJNUJPH-UHFFFAOYSA-N 1 0 397.483 2.125 20 0 GEADRO CC[C@H]([NH2+]CCNc1cnccn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481645821 531388805 /nfs/dbraw/zinc/38/88/05/531388805.db2.gz WKZZIPXVCQVLDT-AWEZNQCLSA-N 1 0 383.905 2.191 20 0 GEADRO CC(C)N(C(C)C)S(=O)(=O)c1ccc(NCC[NH+]2CCSCC2)nc1 ZINC000488287151 531485139 /nfs/dbraw/zinc/48/51/39/531485139.db2.gz IOBALEZPXPEWAP-UHFFFAOYSA-N 1 0 386.587 2.350 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000151734909 531517296 /nfs/dbraw/zinc/51/72/96/531517296.db2.gz UBSPTFTZXZTFJZ-LBPRGKRZSA-N 1 0 376.284 2.405 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000151736440 531518172 /nfs/dbraw/zinc/51/81/72/531518172.db2.gz KMMWHPCGAIVXBG-LBPRGKRZSA-N 1 0 376.284 2.405 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000151788892 531521138 /nfs/dbraw/zinc/52/11/38/531521138.db2.gz COSDDWBWPRQDST-RDTXWAMCSA-N 1 0 393.329 2.043 20 0 GEADRO C[NH2+]CC1CCN(C(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000152248314 531538740 /nfs/dbraw/zinc/53/87/40/531538740.db2.gz WTDCBTUEAYRDIK-UHFFFAOYSA-N 1 0 398.248 2.239 20 0 GEADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000152330191 531545209 /nfs/dbraw/zinc/54/52/09/531545209.db2.gz ZVSKXUSOLPNADH-QGZVFWFLSA-N 1 0 385.277 2.315 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000152177770 531534368 /nfs/dbraw/zinc/53/43/68/531534368.db2.gz LIPNESIQSARVGI-ZDUSSCGKSA-N 1 0 380.286 2.393 20 0 GEADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)n1 ZINC000152532063 531556607 /nfs/dbraw/zinc/55/66/07/531556607.db2.gz KNDFWJDXMSYRCY-CYBMUJFWSA-N 1 0 382.302 2.383 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000152658342 531564817 /nfs/dbraw/zinc/56/48/17/531564817.db2.gz QIIHACNZGYLXSN-CQSZACIVSA-N 1 0 398.345 2.478 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000152674223 531565801 /nfs/dbraw/zinc/56/58/01/531565801.db2.gz DZZOLNVKEWRJNC-CZUORRHYSA-N 1 0 394.313 2.308 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000152873179 531574976 /nfs/dbraw/zinc/57/49/76/531574976.db2.gz NLNDPPCIPNSECP-GUYCJALGSA-N 1 0 385.917 2.403 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000152874712 531576301 /nfs/dbraw/zinc/57/63/01/531576301.db2.gz UFEQTALIRUFLRG-MRXNPFEDSA-N 1 0 384.307 2.301 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)CCCCCC[NH3+])CC2)c(C)s1 ZINC000153631372 531605571 /nfs/dbraw/zinc/60/55/71/531605571.db2.gz FDXLZYPRTOQWFC-UHFFFAOYSA-N 1 0 387.571 2.107 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000153710577 531607618 /nfs/dbraw/zinc/60/76/18/531607618.db2.gz MXMRWFBTHDNTMT-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2cncc(Br)c2)([NH+](C)C)C1 ZINC000153919385 531612009 /nfs/dbraw/zinc/61/20/09/531612009.db2.gz XRZLAPIIIWNDRT-SJCJKPOMSA-N 1 0 397.317 2.409 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[NH+](C)C ZINC000025149423 531612396 /nfs/dbraw/zinc/61/23/96/531612396.db2.gz CLUBQSWECKYDPC-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000025331457 531612594 /nfs/dbraw/zinc/61/25/94/531612594.db2.gz ONDSSZKSUXQFQU-MRXNPFEDSA-N 1 0 381.523 2.079 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153925208 531612916 /nfs/dbraw/zinc/61/29/16/531612916.db2.gz NCCQYDMRHQYVNE-XJKSGUPXSA-N 1 0 394.313 2.086 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC000154065848 531620844 /nfs/dbraw/zinc/62/08/44/531620844.db2.gz OAATYTVXMDOAIV-OZVIIMIRSA-N 1 0 382.302 2.225 20 0 GEADRO O=S(=O)(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000026885825 531621801 /nfs/dbraw/zinc/62/18/01/531621801.db2.gz IFPGNKNAHGURAK-UHFFFAOYSA-N 1 0 399.969 2.498 20 0 GEADRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000026955713 531622326 /nfs/dbraw/zinc/62/23/26/531622326.db2.gz VDXMGXXQIZJSQU-UHFFFAOYSA-N 1 0 379.551 2.153 20 0 GEADRO O=C(Nc1nnc(C(F)(F)F)s1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000495115815 531626702 /nfs/dbraw/zinc/62/67/02/531626702.db2.gz GBMKWDKRCRSFGP-ZJUUUORDSA-N 1 0 379.408 2.056 20 0 GEADRO O=C(Nc1nnc(C(F)(F)F)s1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000495115812 531626947 /nfs/dbraw/zinc/62/69/47/531626947.db2.gz GBMKWDKRCRSFGP-NXEZZACHSA-N 1 0 379.408 2.056 20 0 GEADRO O=C(Nc1nnc(C(F)(F)F)s1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000495115813 531627130 /nfs/dbraw/zinc/62/71/30/531627130.db2.gz GBMKWDKRCRSFGP-UWVGGRQHSA-N 1 0 379.408 2.056 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000027747363 531627134 /nfs/dbraw/zinc/62/71/34/531627134.db2.gz YCYNSKHEWJBHOJ-GFCCVEGCSA-N 1 0 393.962 2.013 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000154825149 531636023 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CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000041640498 531667733 /nfs/dbraw/zinc/66/77/33/531667733.db2.gz JEASHBNTMLFRDL-LBPRGKRZSA-N 1 0 387.311 2.074 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000041640304 531668123 /nfs/dbraw/zinc/66/81/23/531668123.db2.gz DPCRTBBDYQROIF-GFCCVEGCSA-N 1 0 387.311 2.074 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)NCC2([NH+](C)C)CCCC2)ccc1Cl ZINC000042765564 531673090 /nfs/dbraw/zinc/67/30/90/531673090.db2.gz CCWKAJXDTINVSS-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000155540391 531689173 /nfs/dbraw/zinc/68/91/73/531689173.db2.gz NAEGRGAUPDYJLN-ZJUUUORDSA-N 1 0 376.320 2.119 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(C)c1Br ZINC000155893788 531704990 /nfs/dbraw/zinc/70/49/90/531704990.db2.gz DJEAOIQGYMCOQE-CYBMUJFWSA-N 1 0 391.331 2.147 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000155928547 531705981 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O=C(Nc1ccc(Br)nc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000163305846 531855615 /nfs/dbraw/zinc/85/56/15/531855615.db2.gz ZRMIZZNASZRLKX-UHFFFAOYSA-N 1 0 395.301 2.306 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000061858266 531856986 /nfs/dbraw/zinc/85/69/86/531856986.db2.gz WSILUQFGMYQRDG-GFCCVEGCSA-N 1 0 377.279 2.447 20 0 GEADRO NC(=O)C1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000064030566 531863498 /nfs/dbraw/zinc/86/34/98/531863498.db2.gz OIQCJPSQGPIMBR-UHFFFAOYSA-N 1 0 388.249 2.257 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CCO1 ZINC000165587515 531873346 /nfs/dbraw/zinc/87/33/46/531873346.db2.gz CCUNENOEBZCUPB-SECBINFHSA-N 1 0 378.064 2.011 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000067118784 531876443 /nfs/dbraw/zinc/87/64/43/531876443.db2.gz GCBDNEMYUCGOLN-JTQLQIEISA-N 1 0 379.885 2.446 20 0 GEADRO [NH3+]CCC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000167285059 531877705 /nfs/dbraw/zinc/87/77/05/531877705.db2.gz 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C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000068117756 531898008 /nfs/dbraw/zinc/89/80/08/531898008.db2.gz PSNGGYXMQXDPCX-UKRRQHHQSA-N 1 0 387.571 2.042 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2cc(Br)cnc2Cl)CC1 ZINC000171275910 531902229 /nfs/dbraw/zinc/90/22/29/531902229.db2.gz BWVKCLIJPSSGSU-UHFFFAOYSA-N 1 0 376.682 2.338 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171851541 531921003 /nfs/dbraw/zinc/92/10/03/531921003.db2.gz YODDTZOMWIHZQK-UHFFFAOYSA-N 1 0 394.317 2.035 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091323932 531923610 /nfs/dbraw/zinc/92/36/10/531923610.db2.gz XAXRLQZYGVSCOQ-ZYHUDNBSSA-N 1 0 377.304 2.254 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cs1 ZINC000071811620 531915603 /nfs/dbraw/zinc/91/56/03/531915603.db2.gz HMPBJAAUYWBPBC-UHFFFAOYSA-N 1 0 385.555 2.314 20 0 GEADRO CC(C)[NH+](CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)C(C)C ZINC000074335349 531916776 /nfs/dbraw/zinc/91/67/76/531916776.db2.gz 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CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc(C)c(F)cc3Cl)C2)CC1 ZINC000119804075 531973527 /nfs/dbraw/zinc/97/35/27/531973527.db2.gz XPBPIOXDFRDPJL-AWEZNQCLSA-N 1 0 389.924 2.188 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173171705 531992676 /nfs/dbraw/zinc/99/26/76/531992676.db2.gz FOLPTHZMSRHSGV-CQSZACIVSA-N 1 0 378.270 2.040 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccncc3I)CC[C@@H]21 ZINC000120269906 531979374 /nfs/dbraw/zinc/97/93/74/531979374.db2.gz KPTBGJFNTQTAHI-FZMZJTMJSA-N 1 0 385.249 2.243 20 0 GEADRO C[NH2+]CCN(C)C(=O)c1cccn1-c1ccc(I)cc1 ZINC000120685302 531987715 /nfs/dbraw/zinc/98/77/15/531987715.db2.gz YTGQAYYEQOSCCB-UHFFFAOYSA-N 1 0 383.233 2.373 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173222667 531995845 /nfs/dbraw/zinc/99/58/45/531995845.db2.gz TZQGOWFAGUVJIP-CQSZACIVSA-N 1 0 378.270 2.169 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)ccc1Br ZINC000173226692 531995979 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C[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)[N@H+](C)Cc1ccccc1 ZINC000173660806 532024893 /nfs/dbraw/zinc/02/48/93/532024893.db2.gz PTHCRBPECWVKGZ-LBPRGKRZSA-N 1 0 378.270 2.388 20 0 GEADRO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCN(S(C)(=O)=O)CC1 ZINC000121397573 532027227 /nfs/dbraw/zinc/02/72/27/532027227.db2.gz KODJXUCCGLTFHY-UHFFFAOYSA-N 1 0 384.889 2.246 20 0 GEADRO C[NH+]1CCC(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC1 ZINC000173666653 532026350 /nfs/dbraw/zinc/02/63/50/532026350.db2.gz GJSTXDFTTKUGJF-UHFFFAOYSA-N 1 0 386.359 2.497 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000173733211 532029371 /nfs/dbraw/zinc/02/93/71/532029371.db2.gz LLTOHOKKTDWODZ-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000121723686 532043263 /nfs/dbraw/zinc/04/32/63/532043263.db2.gz GIMZBURANPGYHH-OCCSQVGLSA-N 1 0 384.523 2.172 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000173874640 532041015 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CC[C@H](CO)[NH+]1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000174137975 532052099 /nfs/dbraw/zinc/05/20/99/532052099.db2.gz KTYWXHMLVRAXGR-MRXNPFEDSA-N 1 0 384.318 2.166 20 0 GEADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000174261163 532057709 /nfs/dbraw/zinc/05/77/09/532057709.db2.gz CNJBAZHLIPTHFK-UHFFFAOYSA-N 1 0 380.436 2.414 20 0 GEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)CSCC(F)(F)F)cc2)CC1 ZINC000122208481 532061229 /nfs/dbraw/zinc/06/12/29/532061229.db2.gz RQRYOSNXLJPGBB-UHFFFAOYSA-N 1 0 375.460 2.346 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1cccs1 ZINC000122218158 532061483 /nfs/dbraw/zinc/06/14/83/532061483.db2.gz FWZFYURPEXGWLK-UHFFFAOYSA-N 1 0 388.898 2.241 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(I)cc1 ZINC000174288688 532060269 /nfs/dbraw/zinc/06/02/69/532060269.db2.gz MMYUTONIODHXJF-UHFFFAOYSA-N 1 0 391.253 2.381 20 0 GEADRO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000174427871 532065192 /nfs/dbraw/zinc/06/51/92/532065192.db2.gz CURLVZNENCSZLT-LBPRGKRZSA-N 1 0 387.221 2.013 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000122344792 532067661 /nfs/dbraw/zinc/06/76/61/532067661.db2.gz SPLPEXJABFADMY-DYVFJYSZSA-N 1 0 385.917 2.403 20 0 GEADRO [NH3+]C1(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CCCCCC1 ZINC000122335070 532065705 /nfs/dbraw/zinc/06/57/05/532065705.db2.gz LJGAPENLDPIOGN-CQSZACIVSA-N 1 0 385.555 2.069 20 0 GEADRO C[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000174478654 532066526 /nfs/dbraw/zinc/06/65/26/532066526.db2.gz KZFHMPFJXFDRKI-UHFFFAOYSA-N 1 0 394.313 2.075 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000122558754 532075303 /nfs/dbraw/zinc/07/53/03/532075303.db2.gz NUHWTPWMDRFTAW-NSHDSACASA-N 1 0 399.866 2.273 20 0 GEADRO CCC(=O)N1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000122710207 532079947 /nfs/dbraw/zinc/07/99/47/532079947.db2.gz XFHXYHHGSYYONL-HNNXBMFYSA-N 1 0 385.302 2.133 20 0 GEADRO CN1CC[NH+]([C@@H]2CCCCN(CC(=O)NCc3ccc(Cl)s3)C2)CC1 ZINC000174898253 532082085 /nfs/dbraw/zinc/08/20/85/532082085.db2.gz XYLBFYUHFMTHRU-OAHLLOKOSA-N 1 0 384.977 2.120 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175003616 532086776 /nfs/dbraw/zinc/08/67/76/532086776.db2.gz XPHUGNFIHIOXHX-UHFFFAOYSA-N 1 0 398.301 2.295 20 0 GEADRO C[NH2+]CCCNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000122972521 532088404 /nfs/dbraw/zinc/08/84/04/532088404.db2.gz ZVYOFWXZLYLQEL-UHFFFAOYSA-N 1 0 375.210 2.356 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000175101594 532089490 /nfs/dbraw/zinc/08/94/90/532089490.db2.gz DJPVDOKMXTZSRK-IUODEOHRSA-N 1 0 382.302 2.120 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)ccc1-n1cnnn1)c1cccs1 ZINC000123050444 532090824 /nfs/dbraw/zinc/09/08/24/532090824.db2.gz ZCHKYMIRBVPWQS-CQSZACIVSA-N 1 0 376.873 2.410 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000175277330 532095809 /nfs/dbraw/zinc/09/58/09/532095809.db2.gz VXCQFOGGJLQKPQ-LBPRGKRZSA-N 1 0 391.331 2.386 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)Cc1ccccc1Br ZINC000123267462 532096449 /nfs/dbraw/zinc/09/64/49/532096449.db2.gz NLVXNABFSDQHKQ-LSDHHAIUSA-N 1 0 397.361 2.315 20 0 GEADRO C[NH+](C)CCCNC(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC000123564580 532102136 /nfs/dbraw/zinc/10/21/36/532102136.db2.gz GOWLDSJYWHCSCU-UHFFFAOYSA-N 1 0 388.331 2.189 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000123765928 532107971 /nfs/dbraw/zinc/10/79/71/532107971.db2.gz YWDQRAXKAZGTQO-OAHLLOKOSA-N 1 0 387.571 2.010 20 0 GEADRO C[NH+](C)C[C@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000175671963 532111157 /nfs/dbraw/zinc/11/11/57/532111157.db2.gz HHKJHXWNHOJPAQ-CYBMUJFWSA-N 1 0 375.332 2.106 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)ccc1Br ZINC000175319119 532099668 /nfs/dbraw/zinc/09/96/68/532099668.db2.gz QYZDSCOBUTWNGR-NWDGAFQWSA-N 1 0 389.315 2.315 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000123499527 532099744 /nfs/dbraw/zinc/09/97/44/532099744.db2.gz BAHHTJDPSNPRMJ-UHFFFAOYSA-N 1 0 394.368 2.393 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000123494609 532100124 /nfs/dbraw/zinc/10/01/24/532100124.db2.gz QLTMXNFDSMJVKG-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000124303648 532119062 /nfs/dbraw/zinc/11/90/62/532119062.db2.gz YVFDLPVUAWKGEK-CQSZACIVSA-N 1 0 391.940 2.172 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000124351333 532119095 /nfs/dbraw/zinc/11/90/95/532119095.db2.gz UYQNBUBORZWMEQ-RKDXNWHRSA-N 1 0 383.258 2.475 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000175990111 532121657 /nfs/dbraw/zinc/12/16/57/532121657.db2.gz XTSZFUOFIFDXCX-MRVPVSSYSA-N 1 0 392.656 2.391 20 0 GEADRO COc1cc(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1Br ZINC000175981868 532122385 /nfs/dbraw/zinc/12/23/85/532122385.db2.gz KTRLYLMUQSLUHU-UHFFFAOYSA-N 1 0 396.285 2.093 20 0 GEADRO COCC[N@H+](C)CCNC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000175719921 532112913 /nfs/dbraw/zinc/11/29/13/532112913.db2.gz DTOIKFVKEJIANP-CYBMUJFWSA-N 1 0 388.306 2.094 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000176116917 532126324 /nfs/dbraw/zinc/12/63/24/532126324.db2.gz JKXQYNQPOVRZMB-LLVKDONJSA-N 1 0 378.270 2.457 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000124628797 532126338 /nfs/dbraw/zinc/12/63/38/532126338.db2.gz MHJZBNWOAJKTEX-CYBMUJFWSA-N 1 0 378.274 2.244 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CC1=O ZINC000176152753 532127912 /nfs/dbraw/zinc/12/79/12/532127912.db2.gz ZARWIJDZYRDDDC-ZDUSSCGKSA-N 1 0 384.307 2.288 20 0 GEADRO C[C@H](NC(=O)N(C)CC[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC000176247251 532131503 /nfs/dbraw/zinc/13/15/03/532131503.db2.gz JAODSLRDVGCNPE-NSHDSACASA-N 1 0 386.290 2.484 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000124979509 532131678 /nfs/dbraw/zinc/13/16/78/532131678.db2.gz JFAKGJUUHFNGLO-UHFFFAOYSA-N 1 0 395.294 2.107 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000176297220 532133404 /nfs/dbraw/zinc/13/34/04/532133404.db2.gz UICZEUMKWIZOAV-UHFFFAOYSA-N 1 0 383.945 2.010 20 0 GEADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(S(=O)(=O)NC)cs2)CC1 ZINC000176378878 532135116 /nfs/dbraw/zinc/13/51/16/532135116.db2.gz RAYNXDMHVUKPOS-UHFFFAOYSA-N 1 0 387.571 2.240 20 0 GEADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000176370028 532135477 /nfs/dbraw/zinc/13/54/77/532135477.db2.gz AJRITGZFQFEDQJ-VIFPVBQESA-N 1 0 376.682 2.355 20 0 GEADRO CSCc1noc(CCC(=O)NC[C@@H](C)N2CCc3sccc3C2)n1 ZINC000125510283 532136726 /nfs/dbraw/zinc/13/67/26/532136726.db2.gz XGKABEKLCQXKFZ-GFCCVEGCSA-N 1 0 380.539 2.490 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)c2cccn3c(I)cnc23)CC1 ZINC000176809812 532150634 /nfs/dbraw/zinc/15/06/34/532150634.db2.gz AXTIIZCXPXRZRF-UHFFFAOYSA-N 1 0 398.248 2.105 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccccc1I ZINC000176859508 532152236 /nfs/dbraw/zinc/15/22/36/532152236.db2.gz RKPVJRZJBIKWNM-LBPRGKRZSA-N 1 0 390.265 2.378 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)COc1ccc(Br)cc1F ZINC000176889871 532152851 /nfs/dbraw/zinc/15/28/51/532152851.db2.gz DOFYNMVOOHAHBZ-CYBMUJFWSA-N 1 0 391.281 2.440 20 0 GEADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000125717790 532142065 /nfs/dbraw/zinc/14/20/65/532142065.db2.gz FFRQRMQTVIKPSJ-UHFFFAOYSA-N 1 0 383.905 2.147 20 0 GEADRO COC(=O)CC1(CS(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000176636302 532143370 /nfs/dbraw/zinc/14/33/70/532143370.db2.gz IGUILOXSEMCGQK-CQSZACIVSA-N 1 0 386.539 2.148 20 0 GEADRO C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1Cl)C(C)(C)C[NH+](C)C ZINC000176639781 532144986 /nfs/dbraw/zinc/14/49/86/532144986.db2.gz QAYMZRNYNDUIRB-ZDUSSCGKSA-N 1 0 389.949 2.101 20 0 GEADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(Br)s1 ZINC000176694573 532146689 /nfs/dbraw/zinc/14/66/89/532146689.db2.gz ULHKZJPAKGOQDN-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000128781103 532168968 /nfs/dbraw/zinc/16/89/68/532168968.db2.gz CGFBRYJMGHIXHJ-BZUAXINKSA-N 1 0 382.302 2.403 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000176936486 532156906 /nfs/dbraw/zinc/15/69/06/532156906.db2.gz BEEAYGQHOVAZTP-UHFFFAOYSA-N 1 0 398.301 2.307 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000176987949 532157882 /nfs/dbraw/zinc/15/78/82/532157882.db2.gz LWNHJFIHMZROGS-UHFFFAOYSA-N 1 0 384.249 2.223 20 0 GEADRO C[C@H]([NH2+]CCc1nccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000127991655 532160587 /nfs/dbraw/zinc/16/05/87/532160587.db2.gz UWIPFCCUFRIOKV-AWEZNQCLSA-N 1 0 381.523 2.057 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NCCN2CCC([NH+](C)C)CC2)c1Br ZINC000177133835 532162672 /nfs/dbraw/zinc/16/26/72/532162672.db2.gz MUKYQDGSONYQRC-UHFFFAOYSA-N 1 0 386.338 2.051 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000129466277 532179390 /nfs/dbraw/zinc/17/93/90/532179390.db2.gz QHLCBQRYQWYAFB-OAHLLOKOSA-N 1 0 396.329 2.432 20 0 GEADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177701947 532179787 /nfs/dbraw/zinc/17/97/87/532179787.db2.gz OIHYPJUBXJMRKN-AWEZNQCLSA-N 1 0 379.448 2.143 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[N@H+](C)C1CC1 ZINC000177727938 532180608 /nfs/dbraw/zinc/18/06/08/532180608.db2.gz ZTOYDWURYKNRDM-JTQLQIEISA-N 1 0 398.276 2.076 20 0 GEADRO CC[N@H+](CCCS(=O)(=O)NC)CCOc1ccc(Br)cc1 ZINC000129712573 532182539 /nfs/dbraw/zinc/18/25/39/532182539.db2.gz SHVGHGREGCOFOK-UHFFFAOYSA-N 1 0 379.320 2.089 20 0 GEADRO CC(C)OCC[NH+]1CCC(N[C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000177487646 532173455 /nfs/dbraw/zinc/17/34/55/532173455.db2.gz PURQLFHAXWPFQX-QGZVFWFLSA-N 1 0 398.345 2.455 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC000129197219 532175297 /nfs/dbraw/zinc/17/52/97/532175297.db2.gz UXYIKOFKEWQSNJ-AWEZNQCLSA-N 1 0 377.304 2.126 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000177535114 532175869 /nfs/dbraw/zinc/17/58/69/532175869.db2.gz CQUSUFODSCDNHO-KBPBESRZSA-N 1 0 385.555 2.135 20 0 GEADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Cl)CN1CC[NH+](C)CC1 ZINC000129366105 532177252 /nfs/dbraw/zinc/17/72/52/532177252.db2.gz OIJQIMQDZSQQSG-ZDUSSCGKSA-N 1 0 394.368 2.296 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000130467434 532192170 /nfs/dbraw/zinc/19/21/70/532192170.db2.gz RCDYWSFWFOEFHZ-MGPQQGTHSA-N 1 0 387.571 2.029 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(I)cc1 ZINC000130463011 532192244 /nfs/dbraw/zinc/19/22/44/532192244.db2.gz QDHMLQYWWCLECR-LLVKDONJSA-N 1 0 382.267 2.087 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178118234 532193232 /nfs/dbraw/zinc/19/32/32/532193232.db2.gz SKCGTJZJWBGOSD-HUUCEWRRSA-N 1 0 397.313 2.397 20 0 GEADRO O=C(NCc1ccc(O)c(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178267518 532198091 /nfs/dbraw/zinc/19/80/91/532198091.db2.gz HVFIMYALKKKBQX-CQSZACIVSA-N 1 0 398.301 2.018 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000178284230 532198157 /nfs/dbraw/zinc/19/81/57/532198157.db2.gz IXNMGPSSMFHMCB-SNVBAGLBSA-N 1 0 388.693 2.451 20 0 GEADRO O=C(Cc1ccccc1I)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000130267864 532190810 /nfs/dbraw/zinc/19/08/10/532190810.db2.gz OMHNQENWENCNHS-CQSZACIVSA-N 1 0 384.261 2.434 20 0 GEADRO O=C(C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1)N1CCOCC1 ZINC000178586177 532205622 /nfs/dbraw/zinc/20/56/22/532205622.db2.gz AXRFITQPPFCPAN-KRWDZBQOSA-N 1 0 397.313 2.053 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 ZINC000131963288 532207357 /nfs/dbraw/zinc/20/73/57/532207357.db2.gz UDJMAEYWNGALTN-YUTCNCBUSA-N 1 0 384.307 2.410 20 0 GEADRO CN(Cc1cc(Br)cn1C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000131963823 532207843 /nfs/dbraw/zinc/20/78/43/532207843.db2.gz QXQYSKJQKGBTNI-UHFFFAOYSA-N 1 0 387.322 2.040 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccncc3Br)nc2)CC1 ZINC000132087004 532210012 /nfs/dbraw/zinc/21/00/12/532210012.db2.gz FBYIDFCPOZVJSY-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178955770 532219041 /nfs/dbraw/zinc/21/90/41/532219041.db2.gz ZGLYUQQMUJOQRF-UHFFFAOYSA-N 1 0 392.352 2.299 20 0 GEADRO Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(Br)n1 ZINC000132357953 532213479 /nfs/dbraw/zinc/21/34/79/532213479.db2.gz SHKVYZIRHXVYAU-HNNXBMFYSA-N 1 0 395.345 2.395 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000178820882 532214059 /nfs/dbraw/zinc/21/40/59/532214059.db2.gz XFCLAVXPCWNANZ-NSHDSACASA-N 1 0 379.917 2.473 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000132370140 532214381 /nfs/dbraw/zinc/21/43/81/532214381.db2.gz YGXLPEDPXGQWSJ-ZDUSSCGKSA-N 1 0 398.301 2.249 20 0 GEADRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000132570074 532217483 /nfs/dbraw/zinc/21/74/83/532217483.db2.gz BBKRBSWYPBCRQN-AWEZNQCLSA-N 1 0 381.217 2.043 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000178918002 532217612 /nfs/dbraw/zinc/21/76/12/532217612.db2.gz MDWANJXENUBXHW-SNVBAGLBSA-N 1 0 387.221 2.498 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000178958354 532218848 /nfs/dbraw/zinc/21/88/48/532218848.db2.gz IPGWLVQHGMTVFY-CZUORRHYSA-N 1 0 383.945 2.307 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCC(C)(C)c1ccccc1Br ZINC000131748794 532203451 /nfs/dbraw/zinc/20/34/51/532203451.db2.gz XERIEGJPECVLLF-QGZVFWFLSA-N 1 0 386.334 2.339 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000178500361 532204071 /nfs/dbraw/zinc/20/40/71/532204071.db2.gz UWQKCJZLOOKEIV-UHFFFAOYSA-N 1 0 382.507 2.452 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179278778 532227631 /nfs/dbraw/zinc/22/76/31/532227631.db2.gz NYXIVNFVNLIEMN-UHFFFAOYSA-N 1 0 387.322 2.210 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000179496322 532232296 /nfs/dbraw/zinc/23/22/96/532232296.db2.gz CXRBADZMVXMGKK-UHFFFAOYSA-N 1 0 390.347 2.279 20 0 GEADRO Cc1cccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1Br ZINC000133406261 532234436 /nfs/dbraw/zinc/23/44/36/532234436.db2.gz HXSIHPBJQDABOT-OAHLLOKOSA-N 1 0 394.313 2.136 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000133406980 532234847 /nfs/dbraw/zinc/23/48/47/532234847.db2.gz HIHPBLOHWULOSI-MRXNPFEDSA-N 1 0 396.329 2.021 20 0 GEADRO CN(C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000179079433 532221355 /nfs/dbraw/zinc/22/13/55/532221355.db2.gz LNRJDWSSNOPZTA-MRXNPFEDSA-N 1 0 394.313 2.122 20 0 GEADRO CC(C)CN1CCO[C@H](CNS(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000179124775 532222622 /nfs/dbraw/zinc/22/26/22/532222622.db2.gz GIWFTFKSGZIIGI-OAHLLOKOSA-N 1 0 378.897 2.255 20 0 GEADRO C[NH2+]C1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000179143066 532223839 /nfs/dbraw/zinc/22/38/39/532223839.db2.gz YQYQPZBEJNCQKO-MRXNPFEDSA-N 1 0 382.302 2.227 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000179202155 532224875 /nfs/dbraw/zinc/22/48/75/532224875.db2.gz PVNIHSJXYUPQFT-KGLIPLIRSA-N 1 0 396.329 2.415 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)C1 ZINC000179809400 532245403 /nfs/dbraw/zinc/24/54/03/532245403.db2.gz NTEVZZMUVCWBTF-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000133905540 532245647 /nfs/dbraw/zinc/24/56/47/532245647.db2.gz YHMGLTMQHYIQRW-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000133994891 532247879 /nfs/dbraw/zinc/24/78/79/532247879.db2.gz SYWAWMASAOFONA-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179872309 532248110 /nfs/dbraw/zinc/24/81/10/532248110.db2.gz UVCHQYVSUXAALX-RISCZKNCSA-N 1 0 378.274 2.048 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000134011282 532248219 /nfs/dbraw/zinc/24/82/19/532248219.db2.gz UTUZSDOFQHEAKV-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO COc1ccc(Br)cc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000134054264 532248586 /nfs/dbraw/zinc/24/85/86/532248586.db2.gz NKUSUFKRTGZJIJ-CQSZACIVSA-N 1 0 385.302 2.424 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c(Br)n1 ZINC000179886462 532249231 /nfs/dbraw/zinc/24/92/31/532249231.db2.gz LOZLMHHXDQZBQD-CYBMUJFWSA-N 1 0 397.317 2.185 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(Br)n1 ZINC000179907750 532249616 /nfs/dbraw/zinc/24/96/16/532249616.db2.gz OEYWKYDPMVPWAP-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000134121394 532250602 /nfs/dbraw/zinc/25/06/02/532250602.db2.gz SYBKESJMOXJZCL-LBPRGKRZSA-N 1 0 398.301 2.196 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)CC[C@@H]21 ZINC000180444554 532271525 /nfs/dbraw/zinc/27/15/25/532271525.db2.gz PCZOYJPVCYCVFS-BDAKNGLRSA-N 1 0 384.370 2.487 20 0 GEADRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000180026185 532255234 /nfs/dbraw/zinc/25/52/34/532255234.db2.gz OHNADICJEDXYRS-OAUYIBNBSA-N 1 0 382.917 2.339 20 0 GEADRO Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(C3CC3)C2)sc1Br ZINC000180107333 532257767 /nfs/dbraw/zinc/25/77/67/532257767.db2.gz DQLKSKXTLOGJNN-IONNQARKSA-N 1 0 380.333 2.118 20 0 GEADRO CS[C@H]1CCCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000134595242 532258500 /nfs/dbraw/zinc/25/85/00/532258500.db2.gz JYGPHFBJFULYJX-HNNXBMFYSA-N 1 0 381.567 2.250 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(OC)c(Br)s2)CC1 ZINC000134597061 532258729 /nfs/dbraw/zinc/25/87/29/532258729.db2.gz IDMSYFCSJDSAAN-NSHDSACASA-N 1 0 390.347 2.275 20 0 GEADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000180198658 532260396 /nfs/dbraw/zinc/26/03/96/532260396.db2.gz YUJSMHSHJDCDSJ-HZPDHXFCSA-N 1 0 375.296 2.380 20 0 GEADRO C[C@@H](CNC(=O)CCc1cc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000134658092 532260562 /nfs/dbraw/zinc/26/05/62/532260562.db2.gz BGOBRTVHTFHJEL-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000180187023 532260791 /nfs/dbraw/zinc/26/07/91/532260791.db2.gz POEDFLFGAGIRJC-UHFFFAOYSA-N 1 0 382.555 2.395 20 0 GEADRO CN1CCO[C@@H]([C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2ccc(Cl)cc2)C1 ZINC000134773367 532262754 /nfs/dbraw/zinc/26/27/54/532262754.db2.gz UIBBRIGFYJOEKJ-IAGOWNOFSA-N 1 0 386.945 2.126 20 0 GEADRO CCn1c(SCC(=O)N2CC([NH+](C)C)C2)nnc1-c1ccc(Cl)cc1 ZINC000135009972 532265838 /nfs/dbraw/zinc/26/58/38/532265838.db2.gz QNVBXPOKLVODEI-UHFFFAOYSA-N 1 0 379.917 2.483 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000135091976 532266629 /nfs/dbraw/zinc/26/66/29/532266629.db2.gz XKXSMOBCDCWNJV-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO C[N@@H+](Cc1ccc(Cl)c(Br)c1)C[C@H](O)CN1CCOCC1 ZINC000180372609 532269279 /nfs/dbraw/zinc/26/92/79/532269279.db2.gz JHVIMDALIOTVHO-ZDUSSCGKSA-N 1 0 377.710 2.227 20 0 GEADRO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000180703969 532278887 /nfs/dbraw/zinc/27/88/87/532278887.db2.gz CQWFDUOLFBIVST-UHFFFAOYSA-N 1 0 389.924 2.271 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cnc2ccsc2c1 ZINC000180745224 532279108 /nfs/dbraw/zinc/27/91/08/532279108.db2.gz XRSKSHFATQJJCR-HIFRSBDPSA-N 1 0 383.539 2.435 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CSCCc2ccccc21)NC[C@H]1CCCCO1 ZINC000180749362 532279335 /nfs/dbraw/zinc/27/93/35/532279335.db2.gz RZHIWZYVSSHCSF-AEFFLSMTSA-N 1 0 384.567 2.095 20 0 GEADRO CCc1nc2c(s1)[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)CCC2 ZINC000180750483 532279685 /nfs/dbraw/zinc/27/96/85/532279685.db2.gz IPDMOJLATHEBCG-UONOGXRCSA-N 1 0 387.571 2.161 20 0 GEADRO C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)CC(C)(CO)CO ZINC000135913346 532280636 /nfs/dbraw/zinc/28/06/36/532280636.db2.gz BYFNOMFYYGXMNR-UHFFFAOYSA-N 1 0 380.286 2.329 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)[NH+](C)C)C2=O)ccc1Br ZINC000135961943 532280907 /nfs/dbraw/zinc/28/09/07/532280907.db2.gz LLEOZFSZUXQKCJ-WFASDCNBSA-N 1 0 382.302 2.319 20 0 GEADRO O=C([C@H]1COc2ccc(Br)cc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000135937363 532281103 /nfs/dbraw/zinc/28/11/03/532281103.db2.gz JYVGPJXRSJIIMB-BBRMVZONSA-N 1 0 395.297 2.106 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCn2cncc2C1 ZINC000135998410 532281672 /nfs/dbraw/zinc/28/16/72/532281672.db2.gz LOBUMNXFIMDYBL-WCQYABFASA-N 1 0 384.263 2.308 20 0 GEADRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000180819424 532282089 /nfs/dbraw/zinc/28/20/89/532282089.db2.gz CBXSTJNSTJFKKJ-WDEREUQCSA-N 1 0 377.304 2.189 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000180926513 532285866 /nfs/dbraw/zinc/28/58/66/532285866.db2.gz IBEPHLSMNZBSRG-QGZVFWFLSA-N 1 0 385.961 2.439 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000180474119 532273099 /nfs/dbraw/zinc/27/30/99/532273099.db2.gz NCJBUDVPIRCHMR-NSHDSACASA-N 1 0 396.294 2.270 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000139036988 532292437 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CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Br)ccc1C ZINC000150882430 532303637 /nfs/dbraw/zinc/30/36/37/532303637.db2.gz XRLZKVKJNZDNRI-CQSZACIVSA-N 1 0 393.347 2.393 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000181677549 532304681 /nfs/dbraw/zinc/30/46/81/532304681.db2.gz NXLBKTQFKPYSSA-IAQYHMDHSA-N 1 0 378.416 2.444 20 0 GEADRO CN(C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151151924 532307786 /nfs/dbraw/zinc/30/77/86/532307786.db2.gz AWSIBZVQKUNSLZ-CVEARBPZSA-N 1 0 381.929 2.408 20 0 GEADRO Cc1c(C(=O)N(C)CCC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000181975464 532308035 /nfs/dbraw/zinc/30/80/35/532308035.db2.gz DDZUNQSTNGWGFN-UHFFFAOYSA-N 1 0 380.290 2.362 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000181954003 532308046 /nfs/dbraw/zinc/30/80/46/532308046.db2.gz RBZXKBPRKTXEIJ-ZNMIVQPWSA-N 1 0 378.485 2.188 20 0 GEADRO [NH3+][C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC000137428245 532290362 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Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cnc1Br ZINC000182674628 532316423 /nfs/dbraw/zinc/31/64/23/532316423.db2.gz ZQXVGHZGIXNLAW-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000182761524 532317219 /nfs/dbraw/zinc/31/72/19/532317219.db2.gz LILZFYFQRCMHLX-UHFFFAOYSA-N 1 0 381.420 2.033 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000182804008 532317715 /nfs/dbraw/zinc/31/77/15/532317715.db2.gz DKZFEKUYDUXSIB-JSGCOSHPSA-N 1 0 375.332 2.441 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000182803992 532317916 /nfs/dbraw/zinc/31/79/16/532317916.db2.gz DKZFEKUYDUXSIB-OCCSQVGLSA-N 1 0 375.332 2.441 20 0 GEADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)nc1Br ZINC000183067469 532320963 /nfs/dbraw/zinc/32/09/63/532320963.db2.gz CMPJFOQJONVYNJ-GFCCVEGCSA-N 1 0 398.301 2.178 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000185039491 532336721 /nfs/dbraw/zinc/33/67/21/532336721.db2.gz DTEYTSPZSCCISS-LBPRGKRZSA-N 1 0 398.301 2.115 20 0 GEADRO COc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(I)c1 ZINC000185108925 532336910 /nfs/dbraw/zinc/33/69/10/532336910.db2.gz KHHFSSKFJPHLKV-MRCXROJRSA-N 1 0 386.233 2.109 20 0 GEADRO CN(C)c1ccncc1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000185162903 532337016 /nfs/dbraw/zinc/33/70/16/532337016.db2.gz HXCBEQLWLVBLRH-UHFFFAOYSA-N 1 0 377.286 2.430 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000185327793 532337604 /nfs/dbraw/zinc/33/76/04/532337604.db2.gz MBVGFDLFONODOH-OAHLLOKOSA-N 1 0 384.571 2.444 20 0 GEADRO Cc1nc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000185645206 532338340 /nfs/dbraw/zinc/33/83/40/532338340.db2.gz UQHOLQYTZINUJT-CYBMUJFWSA-N 1 0 383.290 2.339 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2sccc2Br)C[C@H]1C ZINC000185801819 532338749 /nfs/dbraw/zinc/33/87/49/532338749.db2.gz TULATIPRDZRDDY-GHMZBOCLSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2sccc2Br)C[C@@H]1C ZINC000185801838 532338761 /nfs/dbraw/zinc/33/87/61/532338761.db2.gz TULATIPRDZRDDY-WDEREUQCSA-N 1 0 376.320 2.107 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000185934724 532339183 /nfs/dbraw/zinc/33/91/83/532339183.db2.gz DMYMPCKLVLIJAU-CMPLNLGQSA-N 1 0 389.315 2.361 20 0 GEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185973363 532339346 /nfs/dbraw/zinc/33/93/46/532339346.db2.gz KKWYUWUWWZLEPE-LLVKDONJSA-N 1 0 389.315 2.004 20 0 GEADRO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ncn(C)c1Cl ZINC000186098958 532339774 /nfs/dbraw/zinc/33/97/74/532339774.db2.gz LOZHYAKUVNCFNL-HNNXBMFYSA-N 1 0 382.917 2.359 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1Cl ZINC000186310927 532340467 /nfs/dbraw/zinc/34/04/67/532340467.db2.gz WVXFOEOOUHIZMQ-UHFFFAOYSA-N 1 0 388.917 2.479 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)ccc1Cl ZINC000186313488 532340611 /nfs/dbraw/zinc/34/06/11/532340611.db2.gz DHSQRHOQSKGSFX-UHFFFAOYSA-N 1 0 388.917 2.479 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000186709838 532341745 /nfs/dbraw/zinc/34/17/45/532341745.db2.gz SVWKKQBSQLZFPN-KRTXAFLBSA-N 1 0 380.176 2.297 20 0 GEADRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000186789785 532341930 /nfs/dbraw/zinc/34/19/30/532341930.db2.gz RIEURHKPMJCRKI-QMTHXVAHSA-N 1 0 378.274 2.066 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1Cl ZINC000186835254 532342234 /nfs/dbraw/zinc/34/22/34/532342234.db2.gz VQHGLCZUQRXPAK-WFASDCNBSA-N 1 0 387.933 2.098 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000186913126 532342503 /nfs/dbraw/zinc/34/25/03/532342503.db2.gz PXIWXCAKQUETJA-GFCCVEGCSA-N 1 0 387.293 2.434 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000187091468 532343179 /nfs/dbraw/zinc/34/31/79/532343179.db2.gz AUAVZOLWXPKRBI-XJKSGUPXSA-N 1 0 375.282 2.010 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ncc(Br)cc1Br ZINC000183633604 532326967 /nfs/dbraw/zinc/32/69/67/532326967.db2.gz DPGVZIDGBQYXBK-VIFPVBQESA-N 1 0 377.080 2.431 20 0 GEADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183892319 532330064 /nfs/dbraw/zinc/33/00/64/532330064.db2.gz LBOLFTYWBJVVPU-YGRLFVJLSA-N 1 0 396.285 2.239 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)CCOc1ccc(Cl)cc1Br ZINC000183945755 532330147 /nfs/dbraw/zinc/33/01/47/532330147.db2.gz OGMSTNJJQQOOAP-UHFFFAOYSA-N 1 0 393.709 2.302 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000184087243 532330908 /nfs/dbraw/zinc/33/09/08/532330908.db2.gz IZBLFWNUBNXULA-UHFFFAOYSA-N 1 0 379.320 2.324 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000184307032 532331623 /nfs/dbraw/zinc/33/16/23/532331623.db2.gz XZOYGDOXYKDSMZ-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000184335422 532332390 /nfs/dbraw/zinc/33/23/90/532332390.db2.gz IANKZUJUKGVDOY-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1cc(F)ccc1Br ZINC000184382672 532332666 /nfs/dbraw/zinc/33/26/66/532332666.db2.gz HGUSMJINIQCGQQ-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187802885 532345605 /nfs/dbraw/zinc/34/56/05/532345605.db2.gz LVVZQHCPYUOLPJ-CYBMUJFWSA-N 1 0 397.317 2.289 20 0 GEADRO COC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000187809328 532345682 /nfs/dbraw/zinc/34/56/82/532345682.db2.gz XQMFVDJFLHZASG-INIZCTEOSA-N 1 0 385.302 2.210 20 0 GEADRO CSC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000187955084 532346154 /nfs/dbraw/zinc/34/61/54/532346154.db2.gz VHCIHBDTQKZSCB-AAEUAGOBSA-N 1 0 388.331 2.219 20 0 GEADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000188140866 532346887 /nfs/dbraw/zinc/34/68/87/532346887.db2.gz KMWCOWWDBSUSHZ-CQSZACIVSA-N 1 0 390.933 2.374 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188186883 532347169 /nfs/dbraw/zinc/34/71/69/532347169.db2.gz UYWPCLDEMOLDGL-ZDUSSCGKSA-N 1 0 385.277 2.311 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188186905 532347193 /nfs/dbraw/zinc/34/71/93/532347193.db2.gz UYWPCLDEMOLDGL-CYBMUJFWSA-N 1 0 385.277 2.311 20 0 GEADRO Cc1cc(C2CC[NH+](CCN3C(=O)CNC3=O)CC2)ccc1Br ZINC000188196597 532347270 /nfs/dbraw/zinc/34/72/70/532347270.db2.gz HOFWJLXLWCOAEF-UHFFFAOYSA-N 1 0 380.286 2.489 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000188430127 532348113 /nfs/dbraw/zinc/34/81/13/532348113.db2.gz YXQOSAJFTJDGPL-HNNXBMFYSA-N 1 0 391.269 2.032 20 0 GEADRO O=C(c1cc(F)c(F)cc1I)N1CC[NH+]2CCC1CC2 ZINC000188650842 532348858 /nfs/dbraw/zinc/34/88/58/532348858.db2.gz NKQCPHPASFRZAY-UHFFFAOYSA-N 1 0 392.187 2.490 20 0 GEADRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188703156 532349194 /nfs/dbraw/zinc/34/91/94/532349194.db2.gz JTMVZQFVIDELSW-AWEZNQCLSA-N 1 0 396.329 2.386 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000188690792 532349236 /nfs/dbraw/zinc/34/92/36/532349236.db2.gz KYQMOWATJMJRSM-QWHCGFSZSA-N 1 0 387.293 2.434 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000188728857 532349328 /nfs/dbraw/zinc/34/93/28/532349328.db2.gz FTMNLBFFXCSLNN-CQSZACIVSA-N 1 0 393.329 2.442 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000188746875 532349477 /nfs/dbraw/zinc/34/94/77/532349477.db2.gz GCNGAWIZOKVKHS-CYBMUJFWSA-N 1 0 399.329 2.497 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000188891097 532349956 /nfs/dbraw/zinc/34/99/56/532349956.db2.gz JFHIMCKOFBCUEU-JTQLQIEISA-N 1 0 380.436 2.149 20 0 GEADRO O=C(Nc1cnn(-c2ccccc2Br)c1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188979662 532350508 /nfs/dbraw/zinc/35/05/08/532350508.db2.gz KGXQOIGEIOYABK-UHFFFAOYSA-N 1 0 387.241 2.256 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000189120922 532350922 /nfs/dbraw/zinc/35/09/22/532350922.db2.gz XGYKJVVPHAWWRG-UHFFFAOYSA-N 1 0 380.341 2.050 20 0 GEADRO COCCC1(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)CCCCC1 ZINC000189355185 532351853 /nfs/dbraw/zinc/35/18/53/532351853.db2.gz JLKCPMHEZICEQP-OAHLLOKOSA-N 1 0 375.556 2.459 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc2c(cc1Br)OCCO2 ZINC000189419492 532352098 /nfs/dbraw/zinc/35/20/98/532352098.db2.gz LIGZJAJYQWNHEW-CYBMUJFWSA-N 1 0 399.329 2.497 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ncc(Br)s1 ZINC000189400474 532352103 /nfs/dbraw/zinc/35/21/03/532352103.db2.gz TVRHAVCFXHAFGS-ZDUSSCGKSA-N 1 0 396.310 2.402 20 0 GEADRO Cc1cc(NC(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1Br ZINC000189562767 532352764 /nfs/dbraw/zinc/35/27/64/532352764.db2.gz INXSUNWFYAZUOO-UONOGXRCSA-N 1 0 384.318 2.083 20 0 GEADRO Cc1csc(C(C)(C)NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)n1 ZINC000189627014 532352981 /nfs/dbraw/zinc/35/29/81/532352981.db2.gz RTYYZEWAIJHSMX-UHFFFAOYSA-N 1 0 385.559 2.040 20 0 GEADRO Cc1cccc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1Br ZINC000189773978 532353539 /nfs/dbraw/zinc/35/35/39/532353539.db2.gz UASJOEGTOAQGMG-CQSZACIVSA-N 1 0 397.361 2.440 20 0 GEADRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1nnnn1C ZINC000189784793 532353633 /nfs/dbraw/zinc/35/36/33/532353633.db2.gz XUQJAHOYBAVALK-LBPRGKRZSA-N 1 0 380.290 2.372 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000189766753 532353635 /nfs/dbraw/zinc/35/36/35/532353635.db2.gz KAWFIFUUSHIHLD-UHFFFAOYSA-N 1 0 387.311 2.028 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000189831939 532353806 /nfs/dbraw/zinc/35/38/06/532353806.db2.gz UWDQDZSYYYUNBP-UHFFFAOYSA-N 1 0 392.244 2.466 20 0 GEADRO C[C@H]1CN(Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1CC(C)(C)O ZINC000189889174 532353908 /nfs/dbraw/zinc/35/39/08/532353908.db2.gz PJKOTACZJQRNMA-ZDUSSCGKSA-N 1 0 399.329 2.497 20 0 GEADRO C[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)CC[N@@H+]1CC(C)(C)O ZINC000189881952 532353939 /nfs/dbraw/zinc/35/39/39/532353939.db2.gz HYMDVEWXIBHHSH-NSHDSACASA-N 1 0 399.289 2.369 20 0 GEADRO C[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)CC[N@@H+]1CC(C)(C)O ZINC000189929661 532354167 /nfs/dbraw/zinc/35/41/67/532354167.db2.gz WTIHDIHCKVJEJH-GFCCVEGCSA-N 1 0 385.302 2.455 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC000189978342 532354331 /nfs/dbraw/zinc/35/43/31/532354331.db2.gz KXCPCHQDRNFYCT-VHSXEESVSA-N 1 0 384.274 2.485 20 0 GEADRO Cc1c([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cnn1C(C)(C)C ZINC000191390770 532360775 /nfs/dbraw/zinc/36/07/75/532360775.db2.gz VDJFRBRPTSSCEU-OCCSQVGLSA-N 1 0 385.555 2.493 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000190073950 532354615 /nfs/dbraw/zinc/35/46/15/532354615.db2.gz XGKOHTILMNXIEJ-CMPLNLGQSA-N 1 0 384.249 2.222 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000190463670 532356227 /nfs/dbraw/zinc/35/62/27/532356227.db2.gz HMQXRNHOLDCFIM-LBPRGKRZSA-N 1 0 376.906 2.126 20 0 GEADRO COC[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190510643 532356574 /nfs/dbraw/zinc/35/65/74/532356574.db2.gz BCMKZEOBAQCLBG-LSDHHAIUSA-N 1 0 388.302 2.446 20 0 GEADRO C[C@H](O)C[N@H+](CCCOc1cccc(I)c1)[C@@H](C)CO ZINC000190843086 532358268 /nfs/dbraw/zinc/35/82/68/532358268.db2.gz GVZPWNUTMRWQOQ-STQMWFEESA-N 1 0 393.265 2.124 20 0 GEADRO C[C@@H](NC(=O)C[N@H+](C)C1(CO)CCOCC1)c1ccc(Br)cc1 ZINC000190994257 532359005 /nfs/dbraw/zinc/35/90/05/532359005.db2.gz JKQDRJJHDPTJGW-CYBMUJFWSA-N 1 0 385.302 2.100 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)C[NH+]1CCCCC1 ZINC000191083092 532359560 /nfs/dbraw/zinc/35/95/60/532359560.db2.gz YYAKFJQGEOSRBR-GFCCVEGCSA-N 1 0 383.290 2.021 20 0 GEADRO C[C@@H](C(=O)NC(C)(C)C)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304730 532360353 /nfs/dbraw/zinc/36/03/53/532360353.db2.gz TXMGGNFWRDAYPI-JTQLQIEISA-N 1 0 379.452 2.372 20 0 GEADRO C[C@@H](CNC(=O)c1cc(Br)ncc1Cl)C[NH+]1CCN(C)CC1 ZINC000187523672 532344698 /nfs/dbraw/zinc/34/46/98/532344698.db2.gz QOBVGDQTJXGGSQ-NSHDSACASA-N 1 0 389.725 2.111 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(Br)s1 ZINC000187522484 532344732 /nfs/dbraw/zinc/34/47/32/532344732.db2.gz WZOCZRQFGCRAGD-NSHDSACASA-N 1 0 390.347 2.497 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Br)cs2)CC[N@@H+]1CC(C)(C)O ZINC000187556343 532344876 /nfs/dbraw/zinc/34/48/76/532344876.db2.gz LDCXTSMFQQPFPA-LLVKDONJSA-N 1 0 390.347 2.497 20 0 GEADRO CCN(C)C(=O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187676121 532345165 /nfs/dbraw/zinc/34/51/65/532345165.db2.gz ZTRLZXBORDWEEF-UHFFFAOYSA-N 1 0 379.096 2.362 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC(C)([NH3+])CC3)cc21 ZINC000647254638 532372183 /nfs/dbraw/zinc/37/21/83/532372183.db2.gz DWMBGNLIPKIGAS-UHFFFAOYSA-N 1 0 386.315 2.443 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2ccccc2Br)CCSC1 ZINC000557782700 532372393 /nfs/dbraw/zinc/37/23/93/532372393.db2.gz MQOJKAJTUIJZRD-CQSZACIVSA-N 1 0 393.372 2.306 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000647261805 532372398 /nfs/dbraw/zinc/37/23/98/532372398.db2.gz MXPLFZXZNFNYBY-ZDUSSCGKSA-N 1 0 385.555 2.100 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC[C@H]1[NH3+] ZINC000647268628 532373063 /nfs/dbraw/zinc/37/30/63/532373063.db2.gz FENALOQSOCJJNW-GXFFZTMASA-N 1 0 389.315 2.132 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[C@@H]1[NH3+] ZINC000647269059 532373179 /nfs/dbraw/zinc/37/31/79/532373179.db2.gz LLNJJXAXDLPELZ-FZMZJTMJSA-N 1 0 390.347 2.263 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000463426413 532373276 /nfs/dbraw/zinc/37/32/76/532373276.db2.gz AGPCZHVZCVCNSU-LLVKDONJSA-N 1 0 398.248 2.382 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[C@H]1[NH3+] ZINC000647269058 532373374 /nfs/dbraw/zinc/37/33/74/532373374.db2.gz LLNJJXAXDLPELZ-BXUZGUMPSA-N 1 0 390.347 2.263 20 0 GEADRO COC(=O)CN1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000425202080 532373784 /nfs/dbraw/zinc/37/37/84/532373784.db2.gz CJZITGPMZGWPEE-UHFFFAOYSA-N 1 0 394.269 2.301 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3c(F)cccc3OC(F)(F)F)[C@@H]2C1 ZINC000425214179 532374835 /nfs/dbraw/zinc/37/48/35/532374835.db2.gz ISRJMROSDHMJBG-CMPLNLGQSA-N 1 0 382.379 2.439 20 0 GEADRO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000516049934 532375743 /nfs/dbraw/zinc/37/57/43/532375743.db2.gz DQAFOQOROXDISG-CYBMUJFWSA-N 1 0 385.507 2.080 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)NCc2cc(Cl)ccc2Br)CC1 ZINC000647596409 532376335 /nfs/dbraw/zinc/37/63/35/532376335.db2.gz XDGLLPMVGPNZGB-UHFFFAOYSA-N 1 0 388.693 2.105 20 0 GEADRO Cc1cnc(CNC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000557895956 532376891 /nfs/dbraw/zinc/37/68/91/532376891.db2.gz LUJGDNKJLWSIFI-CQSZACIVSA-N 1 0 380.901 2.140 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000191958033 532377149 /nfs/dbraw/zinc/37/71/49/532377149.db2.gz GZUJQZKUNXZWRU-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000677554995 532377715 /nfs/dbraw/zinc/37/77/15/532377715.db2.gz YWJJTIFTXNOFKH-UHFFFAOYSA-N 1 0 380.290 2.444 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COc3ccc(Br)cc32)C1 ZINC000677541654 532377808 /nfs/dbraw/zinc/37/78/08/532377808.db2.gz SLYNKKDRGLQCSV-DZGCQCFKSA-N 1 0 383.286 2.152 20 0 GEADRO Cc1nc(C(F)(F)F)c(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)s1 ZINC000371895154 532362176 /nfs/dbraw/zinc/36/21/76/532362176.db2.gz WWDWAKVWSBSOTE-LBPRGKRZSA-N 1 0 376.448 2.384 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000277766017 532362609 /nfs/dbraw/zinc/36/26/09/532362609.db2.gz ZLIZGWGZDJNSDJ-NHYWBVRUSA-N 1 0 387.933 2.145 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC[C@H]1[NH3+] ZINC000647004328 532363164 /nfs/dbraw/zinc/36/31/64/532363164.db2.gz JTIXQNREZYYFJX-UMVBOHGHSA-N 1 0 394.313 2.388 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000515402722 532363300 /nfs/dbraw/zinc/36/33/00/532363300.db2.gz SBFOGHGVPDPHID-HUUCEWRRSA-N 1 0 381.318 2.469 20 0 GEADRO O[C@H](C[NH2+]CCOc1ncccc1F)COc1cccc(Br)c1 ZINC000515415576 532363395 /nfs/dbraw/zinc/36/33/95/532363395.db2.gz UMZMYNORDWXZMI-CYBMUJFWSA-N 1 0 385.233 2.392 20 0 GEADRO Cc1c(C(=O)N2CCC(C)([NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000646992687 532363548 /nfs/dbraw/zinc/36/35/48/532363548.db2.gz UXRHCLSQESAGCT-UHFFFAOYSA-N 1 0 378.274 2.292 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2cc(Br)c[nH]c2=O)C[C@H]1c1ccccc1F ZINC000621664766 532364485 /nfs/dbraw/zinc/36/44/85/532364485.db2.gz GVOMGEJDTLKUTN-GXTWGEPZSA-N 1 0 380.217 2.256 20 0 GEADRO CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CCCCF ZINC000557432933 532364823 /nfs/dbraw/zinc/36/48/23/532364823.db2.gz VMXVIBAUQGHKAT-ZWKOTPCHSA-N 1 0 377.570 2.335 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000647035839 532364998 /nfs/dbraw/zinc/36/49/98/532364998.db2.gz DAEHZAIMAODXAV-JSGCOSHPSA-N 1 0 381.249 2.407 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccc(Br)c(F)c2)C1=O ZINC000372007300 532366460 /nfs/dbraw/zinc/36/64/60/532366460.db2.gz UBZPBXQPUXIKBK-ZBEGNZNMSA-N 1 0 384.249 2.398 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCCC(N)=O ZINC000425099704 532366683 /nfs/dbraw/zinc/36/66/83/532366683.db2.gz QPTLQUQZHXWJPU-UHFFFAOYSA-N 1 0 385.306 2.041 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1C ZINC000677191613 532366985 /nfs/dbraw/zinc/36/69/85/532366985.db2.gz ILMMODXAGZDIKI-BBRMVZONSA-N 1 0 394.313 2.355 20 0 GEADRO OC[C@H]1C[N@H+](C[C@H](O)COc2cccc(Br)c2)CCC1(F)F ZINC000463227283 532370041 /nfs/dbraw/zinc/37/00/41/532370041.db2.gz FMJQEUBRAXFKKC-YPMHNXCESA-N 1 0 380.229 2.138 20 0 GEADRO O=C1COc2cc(Br)ccc2N1Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000647151555 532370345 /nfs/dbraw/zinc/37/03/45/532370345.db2.gz JFIAPQDWUMBJEA-SNVBAGLBSA-N 1 0 379.214 2.182 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1ccc(I)cc1 ZINC000590404194 532371236 /nfs/dbraw/zinc/37/12/36/532371236.db2.gz XBOUWFSRNOQZRX-FZMZJTMJSA-N 1 0 388.249 2.221 20 0 GEADRO O=C(c1cc(Br)c[nH]c1=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000621912723 532371371 /nfs/dbraw/zinc/37/13/71/532371371.db2.gz RRCHNLKJHKSGQL-CQSZACIVSA-N 1 0 398.301 2.267 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc(I)cc21)C1CC1 ZINC000463264980 532371387 /nfs/dbraw/zinc/37/13/87/532371387.db2.gz IBVBNHQVYXFSQB-CYBMUJFWSA-N 1 0 398.248 2.238 20 0 GEADRO CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)s1)C(=O)NCc1cccs1 ZINC000647242140 532371465 /nfs/dbraw/zinc/37/14/65/532371465.db2.gz IPALDFIBXNTBGZ-HNNXBMFYSA-N 1 0 380.539 2.226 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000591037313 532395456 /nfs/dbraw/zinc/39/54/56/532395456.db2.gz DBGNJMLWGWVDQM-SNVBAGLBSA-N 1 0 375.238 2.308 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c[nH]c3ccc(Br)cc32)CC1 ZINC000677583188 532378936 /nfs/dbraw/zinc/37/89/36/532378936.db2.gz WOZRIRKYUAYLET-ZDUSSCGKSA-N 1 0 380.286 2.459 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000647624928 532379287 /nfs/dbraw/zinc/37/92/87/532379287.db2.gz QGXAVYWJASTZHR-SFHVURJKSA-N 1 0 394.313 2.388 20 0 GEADRO COc1cc2[nH+]ccc(NC[C@@H](CO)[C@@H]3CCOC3)c2cc1Br ZINC000425259068 532380030 /nfs/dbraw/zinc/38/00/30/532380030.db2.gz LOTYBOOUSZZRGO-NEPJUHHUSA-N 1 0 381.270 2.485 20 0 GEADRO COC(=O)C[C@@]1([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCOC1 ZINC000463724480 532380182 /nfs/dbraw/zinc/38/01/82/532380182.db2.gz XFHMNTQDNGSKKB-KRWDZBQOSA-N 1 0 394.269 2.447 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1Br ZINC000516180085 532381905 /nfs/dbraw/zinc/38/19/05/532381905.db2.gz XFLCGTPLTXMFDX-GUTXKFCHSA-N 1 0 386.334 2.334 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)c(F)cc1F ZINC000192072092 532381930 /nfs/dbraw/zinc/38/19/30/532381930.db2.gz GDMGNDQSJHRANY-JTQLQIEISA-N 1 0 376.245 2.093 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1Br ZINC000516180088 532382606 /nfs/dbraw/zinc/38/26/06/532382606.db2.gz XFLCGTPLTXMFDX-YDHLFZDLSA-N 1 0 386.334 2.334 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000516180086 532382955 /nfs/dbraw/zinc/38/29/55/532382955.db2.gz XFLCGTPLTXMFDX-IPYPFGDCSA-N 1 0 386.334 2.334 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000463815099 532383459 /nfs/dbraw/zinc/38/34/59/532383459.db2.gz PZDLISQBIGIVBM-VIFPVBQESA-N 1 0 386.237 2.238 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000677885080 532383933 /nfs/dbraw/zinc/38/39/33/532383933.db2.gz XIULIZFWJAJCOS-IRXDYDNUSA-N 1 0 396.329 2.162 20 0 GEADRO Cc1cc(CC[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)on1 ZINC000516304331 532384984 /nfs/dbraw/zinc/38/49/84/532384984.db2.gz AOYKKYWZYJGBHV-SNVBAGLBSA-N 1 0 388.287 2.286 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000558114251 532385388 /nfs/dbraw/zinc/38/53/88/532385388.db2.gz VTOXIWBGIDYBRF-LLVKDONJSA-N 1 0 393.322 2.390 20 0 GEADRO C[N@@H+]1C[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)[C@@H](c2ccccc2)C1 ZINC000372327098 532385578 /nfs/dbraw/zinc/38/55/78/532385578.db2.gz UZMBQLKWOYEQBC-HIFRSBDPSA-N 1 0 376.254 2.377 20 0 GEADRO C[N@H+](CCSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)Cc1ccccc1 ZINC000278540075 532385824 /nfs/dbraw/zinc/38/58/24/532385824.db2.gz JRDGGXQGPSQOHV-OAHLLOKOSA-N 1 0 381.523 2.271 20 0 GEADRO Cn1ncc(Br)c1C[NH2+][C@H](Cc1ccccc1)CN1CCOCC1 ZINC000278537475 532385934 /nfs/dbraw/zinc/38/59/34/532385934.db2.gz SOEQPDKKGSBVRE-MRXNPFEDSA-N 1 0 393.329 2.216 20 0 GEADRO CC1(OCC(=O)NCc2ccc(Br)cc2C(F)(F)F)C[NH2+]C1 ZINC000648151536 532386466 /nfs/dbraw/zinc/38/64/66/532386466.db2.gz PFOHJRGFXAACEN-UHFFFAOYSA-N 1 0 381.192 2.463 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372364333 532386654 /nfs/dbraw/zinc/38/66/54/532386654.db2.gz FUDUOFYNDLRTSX-HOTGVXAUSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cnc2c(Br)cccn12 ZINC000425673187 532388494 /nfs/dbraw/zinc/38/84/94/532388494.db2.gz MNRGZDHOQSWJFE-GFCCVEGCSA-N 1 0 396.289 2.065 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000425671550 532388690 /nfs/dbraw/zinc/38/86/90/532388690.db2.gz IIVPDAZTEFEGIU-UHFFFAOYSA-N 1 0 396.289 2.017 20 0 GEADRO CNC(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000464068372 532388702 /nfs/dbraw/zinc/38/87/02/532388702.db2.gz RRZDSIJOUKURKD-DOMZBBRYSA-N 1 0 382.302 2.367 20 0 GEADRO CNC(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000464068377 532389311 /nfs/dbraw/zinc/38/93/11/532389311.db2.gz RRZDSIJOUKURKD-WFASDCNBSA-N 1 0 382.302 2.367 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192163352 532390704 /nfs/dbraw/zinc/39/07/04/532390704.db2.gz WSPMKPILWLPFQT-UHFFFAOYSA-N 1 0 376.682 2.451 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1cccc(Br)c1 ZINC000372426014 532392457 /nfs/dbraw/zinc/39/24/57/532392457.db2.gz KYOVJIJCGLWUFI-JKIFEVAISA-N 1 0 381.270 2.169 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)sc1C(F)(F)F ZINC000558665808 532395761 /nfs/dbraw/zinc/39/57/61/532395761.db2.gz JSZJGRFHHLDTSM-UHFFFAOYSA-N 1 0 378.420 2.353 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C ZINC000558529726 532393607 /nfs/dbraw/zinc/39/36/07/532393607.db2.gz QOSAQWVLAGVLMF-HNNXBMFYSA-N 1 0 389.949 2.101 20 0 GEADRO Cc1ccc(CC(=O)NCCCN2CCC[N@@H+](C)CC2)c(Br)c1 ZINC000648323435 532393722 /nfs/dbraw/zinc/39/37/22/532393722.db2.gz SXGOWGCZVZPRQM-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO Cc1nc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)sc1S(N)(=O)=O ZINC000516863429 532394310 /nfs/dbraw/zinc/39/43/10/532394310.db2.gz PVNGHXDNTNRYJY-LBPRGKRZSA-N 1 0 381.527 2.131 20 0 GEADRO COc1ncccc1CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000516863074 532394686 /nfs/dbraw/zinc/39/46/86/532394686.db2.gz VHXJBRVWPYQRPG-UHFFFAOYSA-N 1 0 399.310 2.459 20 0 GEADRO C[N@@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)C1 ZINC000591094693 532398826 /nfs/dbraw/zinc/39/88/26/532398826.db2.gz WLNNIHAFFZPFRH-GFCCVEGCSA-N 1 0 380.495 2.072 20 0 GEADRO C[N@H+](Cc1cccc(F)c1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000295002912 532396613 /nfs/dbraw/zinc/39/66/13/532396613.db2.gz YTENYWMFKCZSOA-UHFFFAOYSA-N 1 0 379.295 2.444 20 0 GEADRO C[NH+](C)CCNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000425833660 532398925 /nfs/dbraw/zinc/39/89/25/532398925.db2.gz NWPNLPFRDMOLHR-UHFFFAOYSA-N 1 0 381.645 2.305 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CCC12CCOCC2)c1ccc(F)cc1Cl ZINC000558698410 532397249 /nfs/dbraw/zinc/39/72/49/532397249.db2.gz RNSMHFYDJCZNFZ-OAHLLOKOSA-N 1 0 376.881 2.306 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000372556516 532397270 /nfs/dbraw/zinc/39/72/70/532397270.db2.gz WTMOAGMGHLWZDX-MRXNPFEDSA-N 1 0 389.309 2.400 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C[N@@H+]1C1CC1 ZINC000295049647 532399747 /nfs/dbraw/zinc/39/97/47/532399747.db2.gz UJDHBEAMFGZDBF-YPMHNXCESA-N 1 0 390.285 2.385 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC000678601793 532399930 /nfs/dbraw/zinc/39/99/30/532399930.db2.gz RBIKTXMJHZBGMD-IOASZLSFSA-N 1 0 384.318 2.475 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000591105144 532400192 /nfs/dbraw/zinc/40/01/92/532400192.db2.gz GJHPATWJHBDAKX-UHFFFAOYSA-N 1 0 385.555 2.314 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000464611294 532400454 /nfs/dbraw/zinc/40/04/54/532400454.db2.gz SJPDYHMISIUVQO-DIFFPNOSSA-N 1 0 389.279 2.482 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(Br)cc2)CC12CCOCC2 ZINC000516970077 532400732 /nfs/dbraw/zinc/40/07/32/532400732.db2.gz VYJCYKJWJQRESC-ZDUSSCGKSA-N 1 0 383.286 2.042 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CCOC1 ZINC000464604002 532401041 /nfs/dbraw/zinc/40/10/41/532401041.db2.gz QGJYIXHLMPVBTP-GTNSWQLSSA-N 1 0 389.279 2.482 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cc(Br)cnc2OC)C1 ZINC000624631963 532401144 /nfs/dbraw/zinc/40/11/44/532401144.db2.gz BGNJJPNITIMSBQ-AWEZNQCLSA-N 1 0 385.306 2.478 20 0 GEADRO COc1cnc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000516956447 532399451 /nfs/dbraw/zinc/39/94/51/532399451.db2.gz FTIGBUUUELZZJJ-GFCCVEGCSA-N 1 0 382.873 2.163 20 0 GEADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)Cn1cccn1 ZINC000192329083 532403470 /nfs/dbraw/zinc/40/34/70/532403470.db2.gz UWOJWNXGCFKVFI-MRXNPFEDSA-N 1 0 396.285 2.072 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)[C@@H]2C1 ZINC000559439621 532403507 /nfs/dbraw/zinc/40/35/07/532403507.db2.gz KJUVDMMLFFBDFF-XJKSGUPXSA-N 1 0 381.929 2.101 20 0 GEADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(Br)cn1 ZINC000279738122 532401445 /nfs/dbraw/zinc/40/14/45/532401445.db2.gz WXCUGQDLIWIQDP-CHWSQXEVSA-N 1 0 399.333 2.392 20 0 GEADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[NH2+]C2)c(Br)cc1F ZINC000591287548 532404132 /nfs/dbraw/zinc/40/41/32/532404132.db2.gz XJSDPUDFHGOYBB-SECBINFHSA-N 1 0 388.237 2.496 20 0 GEADRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279933219 532404288 /nfs/dbraw/zinc/40/42/88/532404288.db2.gz AWMQTBHWDUDHQJ-JTQLQIEISA-N 1 0 397.324 2.081 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(F)cc2I)CCO1 ZINC000591288428 532404327 /nfs/dbraw/zinc/40/43/27/532404327.db2.gz OAFYTTRXEXPSIG-QPUJVOFHSA-N 1 0 393.200 2.010 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CC(C)(C)C(F)(F)CC)CC1 ZINC000625018230 532404334 /nfs/dbraw/zinc/40/43/34/532404334.db2.gz PKMHFWLMPYIKFB-HNNXBMFYSA-N 1 0 383.549 2.251 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc(I)c1 ZINC000591272150 532404813 /nfs/dbraw/zinc/40/48/13/532404813.db2.gz FWEHJRMRFNIIPV-CABZTGNLSA-N 1 0 377.201 2.455 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000559732840 532405495 /nfs/dbraw/zinc/40/54/95/532405495.db2.gz GOKJMQHYKAWFEE-OFLPRAFFSA-N 1 0 386.583 2.314 20 0 GEADRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280044089 532406175 /nfs/dbraw/zinc/40/61/75/532406175.db2.gz JAYLLWOKAVJYNU-SECBINFHSA-N 1 0 377.297 2.268 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000559847933 532406317 /nfs/dbraw/zinc/40/63/17/532406317.db2.gz HOFQKTVJVOBKFM-NSHDSACASA-N 1 0 378.420 2.129 20 0 GEADRO C[C@@H]([NH2+]CCCN1CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280050274 532406335 /nfs/dbraw/zinc/40/63/35/532406335.db2.gz JLKPCPABAPTLEM-LLVKDONJSA-N 1 0 396.340 2.014 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000648918502 532409107 /nfs/dbraw/zinc/40/91/07/532409107.db2.gz YIBIUZLVWMZTKZ-LLVKDONJSA-N 1 0 389.265 2.173 20 0 GEADRO O=C(NCCc1ccc(I)s1)NC[C@@H]1CCCC[NH2+]1 ZINC000591350289 532409510 /nfs/dbraw/zinc/40/95/10/532409510.db2.gz NAIDVWVSXQCDDZ-JTQLQIEISA-N 1 0 393.294 2.337 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(Br)ccc1OC(F)F ZINC000517237742 532410015 /nfs/dbraw/zinc/41/00/15/532410015.db2.gz PQECSCRXYKINPG-NSHDSACASA-N 1 0 392.244 2.026 20 0 GEADRO CC(C)Cc1ncnc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1I ZINC000591436551 532411278 /nfs/dbraw/zinc/41/12/78/532411278.db2.gz BJSUHNMKBWXFOC-WCQYABFASA-N 1 0 386.281 2.468 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000192814931 532411396 /nfs/dbraw/zinc/41/13/96/532411396.db2.gz LZPXMFNUSJFDSY-ZIAGYGMSSA-N 1 0 388.339 2.339 20 0 GEADRO COCC[N@@H+]1CC[C@H](N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000280254253 532411714 /nfs/dbraw/zinc/41/17/14/532411714.db2.gz WUUUNCBAYYUZEX-MNOVXSKESA-N 1 0 396.340 2.012 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)ncc1Br ZINC000192816331 532411752 /nfs/dbraw/zinc/41/17/52/532411752.db2.gz SSNCAEXMBGABFP-UHFFFAOYSA-N 1 0 385.306 2.326 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(c3ncnc4ccc(I)cc43)C[C@H]12 ZINC000591434903 532411873 /nfs/dbraw/zinc/41/18/73/532411873.db2.gz LEFJWAKSUOJSFU-TVYUQYBPSA-N 1 0 380.233 2.408 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591449635 532413002 /nfs/dbraw/zinc/41/30/02/532413002.db2.gz YUPHUFYQAZUSAT-WFASDCNBSA-N 1 0 399.276 2.222 20 0 GEADRO CCn1nc(C)c(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1C ZINC000517344370 532413638 /nfs/dbraw/zinc/41/36/38/532413638.db2.gz BFLYOOGHIIZCMX-OAHLLOKOSA-N 1 0 382.555 2.382 20 0 GEADRO O=C(NCc1ccc(Br)s1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000517330480 532413794 /nfs/dbraw/zinc/41/37/94/532413794.db2.gz FHJUNANJUBADQX-UHFFFAOYSA-N 1 0 394.294 2.411 20 0 GEADRO C[C@H]1CN(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@H]1[NH+](C)C ZINC000465285536 532414171 /nfs/dbraw/zinc/41/41/71/532414171.db2.gz MODPZDZSNYVZIC-SMDDNHRTSA-N 1 0 380.290 2.188 20 0 GEADRO Cn1cc(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)c(=O)n(C)c1=O ZINC000560097400 532414461 /nfs/dbraw/zinc/41/44/61/532414461.db2.gz JQBPPIILSZYZBY-UHFFFAOYSA-N 1 0 376.869 2.151 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Cc1cccc(NS(C)(=O)=O)c1)c1ccsc1 ZINC000517354021 532414513 /nfs/dbraw/zinc/41/45/13/532414513.db2.gz ZPFAHPWHOSGRDV-MRXNPFEDSA-N 1 0 381.523 2.081 20 0 GEADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000517361858 532415371 /nfs/dbraw/zinc/41/53/71/532415371.db2.gz RFTAPGXISQMVTP-HNNXBMFYSA-N 1 0 387.567 2.172 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000372866472 532415527 /nfs/dbraw/zinc/41/55/27/532415527.db2.gz CMNVKZNJZMJZRR-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO CC[N@H+](CCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)CCC(F)(F)F ZINC000427212074 532416516 /nfs/dbraw/zinc/41/65/16/532416516.db2.gz ZKGXJKDXHQLEGP-GFCCVEGCSA-N 1 0 383.480 2.325 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1F ZINC000193034686 532418558 /nfs/dbraw/zinc/41/85/58/532418558.db2.gz INIQOYDFHGQROX-LBPRGKRZSA-N 1 0 396.260 2.308 20 0 GEADRO CN1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)C1=O ZINC000372901848 532418600 /nfs/dbraw/zinc/41/86/00/532418600.db2.gz GFNMCMGSRSSHGX-QAPCUYQASA-N 1 0 397.313 2.133 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1Br ZINC000193040789 532418865 /nfs/dbraw/zinc/41/88/65/532418865.db2.gz CBSZPBOQMXRQOG-LBPRGKRZSA-N 1 0 385.306 2.184 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427265295 532417091 /nfs/dbraw/zinc/41/70/91/532417091.db2.gz BGIKLOKQNFTATF-UHFFFAOYSA-N 1 0 378.217 2.170 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193024237 532417455 /nfs/dbraw/zinc/41/74/55/532417455.db2.gz HFEWKYNYNCHPGB-GFCCVEGCSA-N 1 0 395.297 2.363 20 0 GEADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1cnc2c(Cl)cnn2c1 ZINC000295195826 532417756 /nfs/dbraw/zinc/41/77/56/532417756.db2.gz XXWCIFJZAGZDIQ-ZDUSSCGKSA-N 1 0 378.885 2.377 20 0 GEADRO FC(F)(F)CN1CC[C@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000560495332 532417792 /nfs/dbraw/zinc/41/77/92/532417792.db2.gz MFPCNGSRSHKCAU-ZETCQYMHSA-N 1 0 391.200 2.474 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)N1CCNC(=O)[C@H]1c1cccs1)c1ccsc1 ZINC000465534137 532418069 /nfs/dbraw/zinc/41/80/69/532418069.db2.gz OGIOLUWMIUKPIL-DZGCQCFKSA-N 1 0 378.523 2.295 20 0 GEADRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc(=O)[nH]n1 ZINC000560528903 532419863 /nfs/dbraw/zinc/41/98/63/532419863.db2.gz 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C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000466226469 532423541 /nfs/dbraw/zinc/42/35/41/532423541.db2.gz NIDAMKJNFOSNPB-XHDPSFHLSA-N 1 0 392.301 2.379 20 0 GEADRO Cc1cc(N2CCC[C@H](N3C[C@H]4C[NH2+]C[C@@H]4C3)C2=O)ccc1Br ZINC000680961461 532421243 /nfs/dbraw/zinc/42/12/43/532421243.db2.gz IHKSOAWAITZISU-CPUCHLNUSA-N 1 0 378.314 2.404 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C[NH+](C)C ZINC000560707810 532421515 /nfs/dbraw/zinc/42/15/15/532421515.db2.gz YEGYSKHTGIISTA-CJNGLKHVSA-N 1 0 396.329 2.368 20 0 GEADRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000295222229 532421871 /nfs/dbraw/zinc/42/18/71/532421871.db2.gz RBTKCWMFYGXWJC-HUBLWGQQSA-N 1 0 387.318 2.459 20 0 GEADRO COc1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)ccc1Br ZINC000625420502 532426062 /nfs/dbraw/zinc/42/60/62/532426062.db2.gz GRVGWVQPINKABG-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C1 ZINC000193390222 532423764 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C[N@H+](CC1(O)CCOCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000373034691 532427086 /nfs/dbraw/zinc/42/70/86/532427086.db2.gz GNFPTCNWULPUMC-HNNXBMFYSA-N 1 0 383.286 2.028 20 0 GEADRO CC(C)(C)n1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)nn1 ZINC000466393312 532427109 /nfs/dbraw/zinc/42/71/09/532427109.db2.gz WVYXLZWFNJHTKV-UHFFFAOYSA-N 1 0 385.921 2.145 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000561014265 532427134 /nfs/dbraw/zinc/42/71/34/532427134.db2.gz ZAETUNCXTPPYME-NSHDSACASA-N 1 0 390.347 2.316 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000625424712 532427360 /nfs/dbraw/zinc/42/73/60/532427360.db2.gz KCARBXRNLDIJQX-LBPRGKRZSA-N 1 0 376.906 2.367 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CSCc1cccc(Cl)c1 ZINC000193683218 532429559 /nfs/dbraw/zinc/42/95/59/532429559.db2.gz SAMKZQVZRDHNGI-MRXNPFEDSA-N 1 0 383.945 2.419 20 0 GEADRO CC[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC)c1ccc(Cl)s1 ZINC000561121335 532429865 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COC[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000193683306 532431531 /nfs/dbraw/zinc/43/15/31/532431531.db2.gz DFULQPYMRXEATP-QGZVFWFLSA-N 1 0 384.885 2.344 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000518072566 532435346 /nfs/dbraw/zinc/43/53/46/532435346.db2.gz GFUBJAAMGGLGCQ-TXEJJXNPSA-N 1 0 393.962 2.059 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000518114700 532435615 /nfs/dbraw/zinc/43/56/15/532435615.db2.gz IPAZVLTUHDZOMT-YESZJQIVSA-N 1 0 396.329 2.451 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(OC)cc2Br)C1 ZINC000626166253 532435636 /nfs/dbraw/zinc/43/56/36/532435636.db2.gz QTAUUVYYOBQJPD-GFCCVEGCSA-N 1 0 391.331 2.219 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)CCCC2CCOCC2)C[C@H]1[NH+]1CCCC1 ZINC000592045419 532436925 /nfs/dbraw/zinc/43/69/25/532436925.db2.gz NGQFJXRQBFIMJV-IAGOWNOFSA-N 1 0 376.588 2.035 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000518036665 532434042 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GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1C(F)(F)F ZINC000427930413 532437981 /nfs/dbraw/zinc/43/79/81/532437981.db2.gz JHZCSOSETYETKA-SNVBAGLBSA-N 1 0 382.404 2.288 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)c2cc(Cn3cc(Br)cn3)on2)[C@@H](C)C[N@@H+]1C ZINC000650153110 532438350 /nfs/dbraw/zinc/43/83/50/532438350.db2.gz OYJRKLPBVSYNGW-TUAOUCFPSA-N 1 0 396.289 2.235 20 0 GEADRO C[N@H+](CC[C@H]1CCCO1)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000467148576 532438783 /nfs/dbraw/zinc/43/87/83/532438783.db2.gz BQJPATDYAATEME-CYBMUJFWSA-N 1 0 398.301 2.005 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN2CCOc3ccc(Br)cc32)CC1 ZINC000467144113 532439457 /nfs/dbraw/zinc/43/94/57/532439457.db2.gz LDEYTGYYYITVBH-UHFFFAOYSA-N 1 0 382.302 2.248 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)C[C@H]2C1 ZINC000295399560 532443258 /nfs/dbraw/zinc/44/32/58/532443258.db2.gz QNQSRNQDIDZQOO-BETUJISGSA-N 1 0 375.270 2.268 20 0 GEADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626849644 532443368 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GEADRO C[C@@H](NC(=O)N1CCc2cc(Br)ccc2C1)[C@H]1CN(C)CCO1 ZINC000682876786 532450696 /nfs/dbraw/zinc/45/06/96/532450696.db2.gz IMUHYTKFLDXUAU-MLGOLLRUSA-N 1 0 382.302 2.236 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194480300 532451039 /nfs/dbraw/zinc/45/10/39/532451039.db2.gz PKOGUBZQIGUQGX-WBVHZDCISA-N 1 0 397.313 2.106 20 0 GEADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1nc(C(F)(F)F)no1 ZINC000627822010 532457224 /nfs/dbraw/zinc/45/72/24/532457224.db2.gz GHZMOQQAPPUVNQ-ONGXEEELSA-N 1 0 378.420 2.483 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295506582 532453123 /nfs/dbraw/zinc/45/31/23/532453123.db2.gz POJGDKFJEHZFSD-KBPBESRZSA-N 1 0 385.302 2.179 20 0 GEADRO CN(CC(=O)N(CC[NH3+])Cc1ccccc1)C(=O)c1ccc(Br)o1 ZINC000467715307 532453297 /nfs/dbraw/zinc/45/32/97/532453297.db2.gz RDWYGUWJDPDMSF-UHFFFAOYSA-N 1 0 394.269 2.102 20 0 GEADRO O=C(CCc1c[nH]cn1)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000373512889 532454581 /nfs/dbraw/zinc/45/45/81/532454581.db2.gz CPMDCCSRSJADAJ-CYBMUJFWSA-N 1 0 398.282 2.140 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)c1csc(CC[NH3+])n1 ZINC000194765594 532455274 /nfs/dbraw/zinc/45/52/74/532455274.db2.gz TTWPAGXYBZEZNN-UHFFFAOYSA-N 1 0 397.298 2.084 20 0 GEADRO O=S1(=O)CCC(C[NH+]2CCC(c3nccc(C(F)(F)F)n3)CC2)CC1 ZINC000373652263 532462185 /nfs/dbraw/zinc/46/21/85/532462185.db2.gz IJNMOJUQQMBBHF-UHFFFAOYSA-N 1 0 377.432 2.500 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000373648461 532462511 /nfs/dbraw/zinc/46/25/11/532462511.db2.gz QDYLKNVJTJBKTR-COXVUDFISA-N 1 0 390.908 2.492 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ncc(Br)cc1F ZINC000373552788 532457744 /nfs/dbraw/zinc/45/77/44/532457744.db2.gz WGKXYNOQZWQESR-UWVGGRQHSA-N 1 0 396.264 2.192 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000519155860 532458082 /nfs/dbraw/zinc/45/80/82/532458082.db2.gz UEQSTACGVMUUSY-OAHLLOKOSA-N 1 0 389.315 2.222 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000428727895 532458899 /nfs/dbraw/zinc/45/88/99/532458899.db2.gz JJQDPFQDOWRSSE-UHFFFAOYSA-N 1 0 394.191 2.356 20 0 GEADRO [NH3+][C@H]1C[C@@H]2CN(Cc3csc(Cc4ccc(Cl)cc4)n3)CCN2C1=O ZINC000519183059 532458972 /nfs/dbraw/zinc/45/89/72/532458972.db2.gz HVNCGKXSSIEVKP-CVEARBPZSA-N 1 0 376.913 2.131 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000373706863 532463912 /nfs/dbraw/zinc/46/39/12/532463912.db2.gz HJIMEPHGQXACEX-OWCLPIDISA-N 1 0 380.501 2.436 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000468425712 532464106 /nfs/dbraw/zinc/46/41/06/532464106.db2.gz HSXARJKXAPPEHH-KBPBESRZSA-N 1 0 387.571 2.319 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)n2)s1 ZINC000562442249 532467250 /nfs/dbraw/zinc/46/72/50/532467250.db2.gz OAQJCHXKCCRLNK-UHFFFAOYSA-N 1 0 381.527 2.278 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000428899181 532465363 /nfs/dbraw/zinc/46/53/63/532465363.db2.gz BYWFBGSSWHYASN-VXGBXAGGSA-N 1 0 382.302 2.153 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000468479229 532465673 /nfs/dbraw/zinc/46/56/73/532465673.db2.gz NOWKWONFJJEWPZ-OAHLLOKOSA-N 1 0 396.329 2.416 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000194920474 532463365 /nfs/dbraw/zinc/46/33/65/532463365.db2.gz SXRRCGRJIGNPQS-BETUJISGSA-N 1 0 380.286 2.024 20 0 GEADRO COCCOCC[N@H+](CCO)CC1=Cc2cc(Br)ccc2OC1 ZINC000628421563 532467681 /nfs/dbraw/zinc/46/76/81/532467681.db2.gz GYQNGFLPUJHHBI-UHFFFAOYSA-N 1 0 386.286 2.182 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CCC1 ZINC000428991388 532467732 /nfs/dbraw/zinc/46/77/32/532467732.db2.gz IBAJNJRTHISUEM-OAHLLOKOSA-N 1 0 398.345 2.384 20 0 GEADRO Cn1cc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc(Br)c1=O ZINC000519538673 532468088 /nfs/dbraw/zinc/46/80/88/532468088.db2.gz OPMMTOADAAWKMU-ZDUSSCGKSA-N 1 0 385.306 2.390 20 0 GEADRO C[N@@H+]1CCN(CCNc2ncnc3ccc(Br)cc32)CC1(C)C ZINC000562512294 532468328 /nfs/dbraw/zinc/46/83/28/532468328.db2.gz XICXZKCSXMZGRF-UHFFFAOYSA-N 1 0 378.318 2.830 20 0 GEADRO C[NH+](C)CCN1CCN(c2ccnc3c(Br)ccc(F)c23)CC1=O ZINC000651383113 532468377 /nfs/dbraw/zinc/46/83/77/532468377.db2.gz KLWGFQYPHMMZQI-UHFFFAOYSA-N 1 0 395.276 2.347 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1nscc1Br ZINC000651536302 532473440 /nfs/dbraw/zinc/47/34/40/532473440.db2.gz RDQMJJXEJHFCQZ-QWHCGFSZSA-N 1 0 388.331 2.403 20 0 GEADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683940283 532469350 /nfs/dbraw/zinc/46/93/50/532469350.db2.gz LJKUXABNZDBLSY-MELADBBJSA-N 1 0 391.990 2.060 20 0 GEADRO O=C(COc1cccc(Br)c1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429050013 532469632 /nfs/dbraw/zinc/46/96/32/532469632.db2.gz WQVWWGXEHBJFQN-UHFFFAOYSA-N 1 0 391.269 2.271 20 0 GEADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000519649575 532472065 /nfs/dbraw/zinc/47/20/65/532472065.db2.gz YSUXMCZVXDUTKR-KGLIPLIRSA-N 1 0 381.929 2.322 20 0 GEADRO CCC[C@H](C)S(=O)(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000651522728 532472400 /nfs/dbraw/zinc/47/24/00/532472400.db2.gz QZWSCLCLSRSKDR-INIZCTEOSA-N 1 0 375.579 2.065 20 0 GEADRO CN(CC(=O)Nc1ccc2c(c1)C[NH2+]CC2)C(=O)c1ccc(Br)o1 ZINC000429334461 532472406 /nfs/dbraw/zinc/47/24/06/532472406.db2.gz WSLRVUZFCVILCV-UHFFFAOYSA-N 1 0 392.253 2.399 20 0 GEADRO CC[C@H](C(=O)N1CCC(O)(c2scnc2Br)CC1)[NH+](C)C ZINC000373818806 532472711 /nfs/dbraw/zinc/47/27/11/532472711.db2.gz IKFXYUJLIXASTM-SNVBAGLBSA-N 1 0 376.320 2.056 20 0 GEADRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CN1C1CC1 ZINC000519536388 532467493 /nfs/dbraw/zinc/46/74/93/532467493.db2.gz KCKRJNKLWSBUSA-JSGCOSHPSA-N 1 0 387.343 2.438 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cn(-c3ccc(Br)cc3)cn1)C2 ZINC000683908260 532467535 /nfs/dbraw/zinc/46/75/35/532467535.db2.gz MGMUNKOWURBCRY-UHFFFAOYSA-N 1 0 375.270 2.413 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000429439165 532476836 /nfs/dbraw/zinc/47/68/36/532476836.db2.gz BNEOFSOAQQUAEH-BXUZGUMPSA-N 1 0 390.347 2.419 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000429439168 532476842 /nfs/dbraw/zinc/47/68/42/532476842.db2.gz BNEOFSOAQQUAEH-SMDDNHRTSA-N 1 0 390.347 2.419 20 0 GEADRO Cn1ncc(Br)c1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000295812005 532479100 /nfs/dbraw/zinc/47/91/00/532479100.db2.gz LFJDIVHCCGDKAN-UHFFFAOYSA-N 1 0 377.286 2.012 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000684620963 532480492 /nfs/dbraw/zinc/48/04/92/532480492.db2.gz RBTYTTLYZLHWLK-MRXNPFEDSA-N 1 0 392.301 2.473 20 0 GEADRO O=C(c1ccc2nccn2c1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000374291774 532496870 /nfs/dbraw/zinc/49/68/70/532496870.db2.gz ALPKTGXBQNLEDJ-INIZCTEOSA-N 1 0 399.248 2.410 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(I)cc2F)C1 ZINC000295823388 532480617 /nfs/dbraw/zinc/48/06/17/532480617.db2.gz LZSBUIIXZSOCJC-JTQLQIEISA-N 1 0 376.213 2.454 20 0 GEADRO COC[C@](C)([NH3+])CNc1ncnc2cc(I)sc21 ZINC000593461856 532482092 /nfs/dbraw/zinc/48/20/92/532482092.db2.gz QECYCWAAVYLUIF-LLVKDONJSA-N 1 0 378.239 2.072 20 0 GEADRO CCOC(=O)[C@H](F)C1CN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000295860155 532482106 /nfs/dbraw/zinc/48/21/06/532482106.db2.gz DWAJOLPHJFHHIX-UONOGXRCSA-N 1 0 378.213 2.455 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000651621967 532482301 /nfs/dbraw/zinc/48/23/01/532482301.db2.gz JUPWLZBUAKPDIT-CRAIPNDOSA-N 1 0 385.961 2.128 20 0 GEADRO COCC[C@]1(C(=O)N(C)CCOc2ccc(Br)cc2)CC[NH2+]C1 ZINC000429751245 532482667 /nfs/dbraw/zinc/48/26/67/532482667.db2.gz XFGPISMYUQRUSN-QGZVFWFLSA-N 1 0 385.302 2.303 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)NCCC[NH2+]C3CC3)s2)cs1 ZINC000562831619 532485182 /nfs/dbraw/zinc/48/51/82/532485182.db2.gz FTCDLAVYHGKOLZ-UHFFFAOYSA-N 1 0 378.523 2.055 20 0 GEADRO C[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)Oc1ccccc1Br ZINC000562810454 532485435 /nfs/dbraw/zinc/48/54/35/532485435.db2.gz VMOBLBCKCVRZLU-RDBSUJKOSA-N 1 0 382.302 2.467 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000221861734 532486206 /nfs/dbraw/zinc/48/62/06/532486206.db2.gz DIHZRVMDVONXFA-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000430342661 532497011 /nfs/dbraw/zinc/49/70/11/532497011.db2.gz MDBRASVITWJRMC-VIFPVBQESA-N 1 0 390.267 2.175 20 0 GEADRO C[N@H+](CCOCCO)Cc1cc(Br)cc(Br)c1N ZINC000282662961 532487049 /nfs/dbraw/zinc/48/70/49/532487049.db2.gz GWJYTRYRCSILSF-UHFFFAOYSA-N 1 0 382.096 2.235 20 0 GEADRO [NH3+]C1(CNC(=O)CNC(=O)c2ccc(Br)cc2)CCCCCC1 ZINC000520230679 532487415 /nfs/dbraw/zinc/48/74/15/532487415.db2.gz YHVBOBHVIOIIMJ-UHFFFAOYSA-N 1 0 382.302 2.347 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000469043600 532487934 /nfs/dbraw/zinc/48/79/34/532487934.db2.gz TWMOMFWEDLUIQJ-CYBMUJFWSA-N 1 0 378.922 2.374 20 0 GEADRO Cn1cc(C[NH+]2CCC(c3ccc(Br)cc3)CC2)c(=O)n(C)c1=O ZINC000282681677 532488099 /nfs/dbraw/zinc/48/80/99/532488099.db2.gz IIKGZIHCLYEYHV-UHFFFAOYSA-N 1 0 392.297 2.226 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000236738155 532497052 /nfs/dbraw/zinc/49/70/52/532497052.db2.gz DKNAAFSONLXWIE-UHFFFAOYSA-N 1 0 396.340 2.296 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)Cc3ccc(Br)cc3Cl)C[C@H]21 ZINC000629354216 532488636 /nfs/dbraw/zinc/48/86/36/532488636.db2.gz KZYNCEFOZVWMEF-IMRBUKKESA-N 1 0 393.734 2.424 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000563116941 532497103 /nfs/dbraw/zinc/49/71/03/532497103.db2.gz QDWPJWOQHBJZFZ-HIFRSBDPSA-N 1 0 397.269 2.146 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000520283688 532489496 /nfs/dbraw/zinc/48/94/96/532489496.db2.gz OEWMOPCUFINRNL-UHFFFAOYSA-N 1 0 384.322 2.478 20 0 GEADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Br)s1)C[NH+]1CCCC1 ZINC000520361670 532490691 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GEADRO CC(C)C[C@](C)(C[NH3+])NC(=O)CN1c2ccc(Br)cc2OCC1=O ZINC000236681423 532492537 /nfs/dbraw/zinc/49/25/37/532492537.db2.gz LEUOOJPADGABAP-QGZVFWFLSA-N 1 0 398.301 2.054 20 0 GEADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCNC(=O)c1ccc(Br)cc1 ZINC000236668843 532492624 /nfs/dbraw/zinc/49/26/24/532492624.db2.gz GETGRMFSFXDZMG-SFESLNEESA-N 1 0 394.313 2.216 20 0 GEADRO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]Cc1sccc1Br ZINC000562987147 532492686 /nfs/dbraw/zinc/49/26/86/532492686.db2.gz MZQNFHBUKAKAPR-JTQLQIEISA-N 1 0 395.278 2.257 20 0 GEADRO CCNC(=O)C1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCC1 ZINC000563003005 532493017 /nfs/dbraw/zinc/49/30/17/532493017.db2.gz NGWCXRGPVVJITE-AWEZNQCLSA-N 1 0 385.302 2.085 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000236679364 532493211 /nfs/dbraw/zinc/49/32/11/532493211.db2.gz PYPDQDTUKOVUBV-CYBMUJFWSA-N 1 0 387.933 2.322 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)C1(c2ccc(Br)cc2)CCC1 ZINC000236675730 532493315 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Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[C@H](O)COCC(F)(F)F)C1 ZINC000433209817 532559930 /nfs/dbraw/zinc/55/99/30/532559930.db2.gz SFPRPVGGNAQPSA-KBPBESRZSA-N 1 0 381.464 2.145 20 0 GEADRO C[C@H](NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O)c1ccc(Br)cc1 ZINC000249095037 532560082 /nfs/dbraw/zinc/56/00/82/532560082.db2.gz FKUSKKYUKILOPS-GLQYFDAESA-N 1 0 382.302 2.260 20 0 GEADRO O=S(=O)(c1cnc2ccsc2c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528061753 532560235 /nfs/dbraw/zinc/56/02/35/532560235.db2.gz VSCPMQQDDOJXII-CQSZACIVSA-N 1 0 381.523 2.076 20 0 GEADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)C[C@H]2CCC(F)(F)C2)c1 ZINC000631765890 532560260 /nfs/dbraw/zinc/56/02/60/532560260.db2.gz RMOLEJGONONWOP-HNNXBMFYSA-N 1 0 376.469 2.482 20 0 GEADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000249095881 532560668 /nfs/dbraw/zinc/56/06/68/532560668.db2.gz UBJFDKXGSGRARH-UONOGXRCSA-N 1 0 376.469 2.398 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000375482193 532560725 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C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000433348338 532562759 /nfs/dbraw/zinc/56/27/59/532562759.db2.gz UREJGUZMLQBDMY-HIFRSBDPSA-N 1 0 380.432 2.072 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000249246058 532563199 /nfs/dbraw/zinc/56/31/99/532563199.db2.gz XGKOHTILMNXIEJ-PWSUYJOCSA-N 1 0 384.249 2.222 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528401445 532564066 /nfs/dbraw/zinc/56/40/66/532564066.db2.gz BSOFEVJBJUMBIT-UHFFFAOYSA-N 1 0 390.272 2.323 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1(S(C)(=O)=O)CC1 ZINC000565478652 532565641 /nfs/dbraw/zinc/56/56/41/532565641.db2.gz CELLHJFDYYRPBU-DGCLKSJQSA-N 1 0 381.416 2.000 20 0 GEADRO O=C(Nc1cccc(I)c1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433375661 532566220 /nfs/dbraw/zinc/56/62/20/532566220.db2.gz HXGFRUDUXLNUER-LBPRGKRZSA-N 1 0 397.220 2.060 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1cnc(C)s1)c1ccsc1 ZINC000283917133 532566806 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COCCSc1ccc([C@H](C)NS(=O)(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000631917114 532567550 /nfs/dbraw/zinc/56/75/50/532567550.db2.gz GIKPBSAJLJCCNB-AWEZNQCLSA-N 1 0 387.571 2.004 20 0 GEADRO COCc1c(Br)cccc1NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433390064 532567986 /nfs/dbraw/zinc/56/79/86/532567986.db2.gz ZDRPEAAVIXGZGZ-NSHDSACASA-N 1 0 394.273 2.364 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](OC)c2ccccc2Br)C1 ZINC000654749377 532568047 /nfs/dbraw/zinc/56/80/47/532568047.db2.gz OSGUPOHUSFNYKE-CZUORRHYSA-N 1 0 385.302 2.364 20 0 GEADRO O=C(NCCc1ccc(F)c(Br)c1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433404031 532568078 /nfs/dbraw/zinc/56/80/78/532568078.db2.gz SWYZUJJRSVWDBG-GFCCVEGCSA-N 1 0 396.264 2.077 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2onc(C3CC3)c2Cl)C1 ZINC000631948438 532568129 /nfs/dbraw/zinc/56/81/29/532568129.db2.gz FZVGTWQJJZSELY-AGIUHOORSA-N 1 0 389.905 2.255 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc1Cl ZINC000565539973 532568241 /nfs/dbraw/zinc/56/82/41/532568241.db2.gz XVQDVCALJRUFHS-OAHLLOKOSA-N 1 0 397.324 2.378 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000631945228 532568416 /nfs/dbraw/zinc/56/84/16/532568416.db2.gz RTBGIIUIWTWMGB-WFASDCNBSA-N 1 0 389.905 2.112 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2onc(C3CC3)c2Cl)C1 ZINC000631948441 532568768 /nfs/dbraw/zinc/56/87/68/532568768.db2.gz FZVGTWQJJZSELY-UPJWGTAASA-N 1 0 389.905 2.255 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1cc(Cl)ccc1Br ZINC000631947327 532568861 /nfs/dbraw/zinc/56/88/61/532568861.db2.gz ZSLQNLJOMIIZJG-UHFFFAOYSA-N 1 0 396.738 2.121 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)Cc2ncsc2Br)[C@@H]1CC[NH3+] ZINC000631947561 532569022 /nfs/dbraw/zinc/56/90/22/532569022.db2.gz GYIUUVOQRKXYEZ-MWLCHTKSSA-N 1 0 382.349 2.185 20 0 GEADRO CCCCn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)n1 ZINC000631954518 532569397 /nfs/dbraw/zinc/56/93/97/532569397.db2.gz OSBFXLLXDVBIKM-STQMWFEESA-N 1 0 382.452 2.139 20 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532547749 /nfs/dbraw/zinc/54/77/49/532547749.db2.gz MJTVGVVDWPGHBL-CQSZACIVSA-N 1 0 378.270 2.253 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000527288458 532548904 /nfs/dbraw/zinc/54/89/04/532548904.db2.gz CGVAFPRRTGMYCE-UHFFFAOYSA-N 1 0 385.555 2.358 20 0 GEADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000565143421 532549799 /nfs/dbraw/zinc/54/97/99/532549799.db2.gz MNSRHTOELVIUSN-CABCVRRESA-N 1 0 384.274 2.007 20 0 GEADRO CN1CCN(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)[C@@H](C[NH3+])C1 ZINC000565882677 532583188 /nfs/dbraw/zinc/58/31/88/532583188.db2.gz GOTIPWYWMXJGFQ-BLLLJJGKSA-N 1 0 395.345 2.357 20 0 GEADRO Clc1ccc(-n2cc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)nn2)c(Cl)c1 ZINC000262083877 532584676 /nfs/dbraw/zinc/58/46/76/532584676.db2.gz FPPDKSAJPGBTRJ-OAHLLOKOSA-N 1 0 381.311 2.054 20 0 GEADRO O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297193 532584925 /nfs/dbraw/zinc/58/49/25/532584925.db2.gz GDXUFQLIARRJBB-QWHCGFSZSA-N 1 0 381.263 2.070 20 0 GEADRO CCOc1cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc(Br)c1O ZINC000297384484 532585372 /nfs/dbraw/zinc/58/53/72/532585372.db2.gz IWAMNZATUQIUIU-LLVKDONJSA-N 1 0 392.315 2.468 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000565939337 532585804 /nfs/dbraw/zinc/58/58/04/532585804.db2.gz NVTALLUTDAAOBC-ZETCQYMHSA-N 1 0 382.180 2.117 20 0 GEADRO O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295424 532586423 /nfs/dbraw/zinc/58/64/23/532586423.db2.gz BOZLPCIQEADBKT-QWHCGFSZSA-N 1 0 381.263 2.070 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000375910545 532586600 /nfs/dbraw/zinc/58/66/00/532586600.db2.gz USFSQUNCKSFFON-JSGCOSHPSA-N 1 0 385.917 2.410 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000375910547 532586680 /nfs/dbraw/zinc/58/66/80/532586680.db2.gz USFSQUNCKSFFON-TZMCWYRMSA-N 1 0 385.917 2.410 20 0 GEADRO CC(=O)c1ccc(NC[C@H]2CN(C)CCN2C)c(I)c1 ZINC000596119797 532587219 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CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000262713451 532597374 /nfs/dbraw/zinc/59/73/74/532597374.db2.gz SPVWPLAEMAIWSS-ZDUSSCGKSA-N 1 0 385.917 2.303 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000262710758 532597489 /nfs/dbraw/zinc/59/74/89/532597489.db2.gz CNFKBCHRWFVJSE-SIMDFCGZSA-N 1 0 387.343 2.451 20 0 GEADRO COc1ccc(Br)c(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000284507992 532597611 /nfs/dbraw/zinc/59/76/11/532597611.db2.gz DROCGMKXGXZYQM-LSDHHAIUSA-N 1 0 384.274 2.395 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(Br)c1 ZINC000284523256 532598104 /nfs/dbraw/zinc/59/81/04/532598104.db2.gz ZJPKFGKOSJSGAD-AWEZNQCLSA-N 1 0 398.345 2.351 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529378340 532598220 /nfs/dbraw/zinc/59/82/20/532598220.db2.gz PXLVSNORFVHXQM-GFCCVEGCSA-N 1 0 376.682 2.232 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000529376656 532598404 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C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000434707259 532599589 /nfs/dbraw/zinc/59/95/89/532599589.db2.gz QGDKSGJFATXPRN-NWDGAFQWSA-N 1 0 383.290 2.170 20 0 GEADRO Cc1c(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000262770088 532600017 /nfs/dbraw/zinc/60/00/17/532600017.db2.gz JVNCVLBIEBONTR-GHMZBOCLSA-N 1 0 378.274 2.161 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000566197391 532600799 /nfs/dbraw/zinc/60/07/99/532600799.db2.gz BPWJYVXIEVZTCO-OAHLLOKOSA-N 1 0 383.286 2.436 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000262785193 532601238 /nfs/dbraw/zinc/60/12/38/532601238.db2.gz QFYZFAHKKXSEJD-UMVBOHGHSA-N 1 0 388.917 2.032 20 0 GEADRO C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(I)cc1 ZINC000596654401 532601393 /nfs/dbraw/zinc/60/13/93/532601393.db2.gz OAKJXADRAOMJFY-VIFPVBQESA-N 1 0 384.221 2.096 20 0 GEADRO Ic1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000596651228 532601683 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CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566437421 532609398 /nfs/dbraw/zinc/60/93/98/532609398.db2.gz BRQXZDDUIGVHSO-CWRNSKLLSA-N 1 0 385.599 2.020 20 0 GEADRO CCCOc1c(Br)cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC ZINC000656272783 532610234 /nfs/dbraw/zinc/61/02/34/532610234.db2.gz DLVUPHWJNUDJCF-LSDHHAIUSA-N 1 0 399.329 2.497 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000284680090 532610766 /nfs/dbraw/zinc/61/07/66/532610766.db2.gz DNHXEKWBOGUXOV-INIZCTEOSA-N 1 0 381.929 2.167 20 0 GEADRO O=C(C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)Nc1ccc(I)cc1 ZINC000597121235 532611706 /nfs/dbraw/zinc/61/17/06/532611706.db2.gz NFHDTRHWJCGQLM-UONOGXRCSA-N 1 0 386.233 2.387 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000566480274 532611896 /nfs/dbraw/zinc/61/18/96/532611896.db2.gz LPJSEDCXNIDWQW-UHFFFAOYSA-N 1 0 377.286 2.160 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474335454 532612995 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/nfs/dbraw/zinc/62/58/87/532625887.db2.gz STDINWRQGGYLKZ-GFCCVEGCSA-N 1 0 383.290 2.163 20 0 GEADRO COc1cc(C[NH2+][C@H](CO)c2sccc2C)cc(Cl)c1OCC(N)=O ZINC000530730134 532627480 /nfs/dbraw/zinc/62/74/80/532627480.db2.gz NPQMGYAFNQHENN-CYBMUJFWSA-N 1 0 384.885 2.406 20 0 GEADRO COCC[C@@H]([NH2+]CC(=O)NCCC(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000284869832 532627450 /nfs/dbraw/zinc/62/74/50/532627450.db2.gz SLIDGEUINFSBFL-CQSZACIVSA-N 1 0 377.268 2.340 20 0 GEADRO Cc1cc(NC(=O)CC[NH2+][C@H]2COc3cc(F)c(Br)cc32)no1 ZINC000566851677 532628358 /nfs/dbraw/zinc/62/83/58/532628358.db2.gz SLEPIWGPBDYYGX-LBPRGKRZSA-N 1 0 384.205 2.937 20 0 GEADRO O=C1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C2CC2)N1 ZINC000376771937 532628481 /nfs/dbraw/zinc/62/84/81/532628481.db2.gz JEXHAQBRKWAIAB-XJKSGUPXSA-N 1 0 381.270 2.367 20 0 GEADRO C[NH+](C)CCCN(C(=O)CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000298142232 532629110 /nfs/dbraw/zinc/62/91/10/532629110.db2.gz FBFSKMRETKKSAA-QGZVFWFLSA-N 1 0 386.945 2.240 20 0 GEADRO 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2.490 20 0 GEADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000660025988 532670453 /nfs/dbraw/zinc/67/04/53/532670453.db2.gz CSXCBTRLIAPVGO-LBPRGKRZSA-N 1 0 390.347 2.278 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000482509882 532670681 /nfs/dbraw/zinc/67/06/81/532670681.db2.gz USPXBJKEYRZRRK-TUKIKUTGSA-N 1 0 381.523 2.217 20 0 GEADRO O=C(CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000534298103 532670599 /nfs/dbraw/zinc/67/05/99/532670599.db2.gz WXBRLGHIVMJJRV-GFCCVEGCSA-N 1 0 384.249 2.223 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000482510681 532671232 /nfs/dbraw/zinc/67/12/32/532671232.db2.gz MGGXISZUCFOPLN-CYBMUJFWSA-N 1 0 383.539 2.355 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000377814800 532671305 /nfs/dbraw/zinc/67/13/05/532671305.db2.gz QVROUNJIWBPGHJ-CVEARBPZSA-N 1 0 397.313 2.058 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000482509841 532671385 /nfs/dbraw/zinc/67/13/85/532671385.db2.gz LBAWZUCTRRADAF-NSCUHMNNSA-N 1 0 389.449 2.017 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285336967 532671509 /nfs/dbraw/zinc/67/15/09/532671509.db2.gz OMJMPBGBIQYVRK-GXTWGEPZSA-N 1 0 386.901 2.374 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1Cl ZINC000285335729 532671845 /nfs/dbraw/zinc/67/18/45/532671845.db2.gz OIKGXMSBQDIIJD-QWHCGFSZSA-N 1 0 386.901 2.374 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000482510684 532671784 /nfs/dbraw/zinc/67/17/84/532671784.db2.gz MGGXISZUCFOPLN-ZDUSSCGKSA-N 1 0 383.539 2.355 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000482534338 532672634 /nfs/dbraw/zinc/67/26/34/532672634.db2.gz QDHLTEAKYMTOHW-UHFFFAOYSA-N 1 0 389.930 2.495 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000482521302 532672714 /nfs/dbraw/zinc/67/27/14/532672714.db2.gz ZVLGMOZNQBJWTA-LLVKDONJSA-N 1 0 387.502 2.185 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000482522884 532672937 /nfs/dbraw/zinc/67/29/37/532672937.db2.gz LGRIWNLSIOJKGY-LLVKDONJSA-N 1 0 387.502 2.185 20 0 GEADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)C1 ZINC000660028545 532672932 /nfs/dbraw/zinc/67/29/32/532672932.db2.gz WKYYXZPGBGXJHS-LBPRGKRZSA-N 1 0 389.905 2.070 20 0 GEADRO OC[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C1CCOCC1 ZINC000568242070 532673000 /nfs/dbraw/zinc/67/30/00/532673000.db2.gz PUMVLYUYTPBRQK-OAHLLOKOSA-N 1 0 386.286 2.488 20 0 GEADRO CC[N@@H+]1CCCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)[C@@H](C)C1 ZINC000660792368 532674705 /nfs/dbraw/zinc/67/47/05/532674705.db2.gz XMAMGUQEXCSPLL-ZDUSSCGKSA-N 1 0 387.933 2.098 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C[NH+](C)C ZINC000568281526 532675256 /nfs/dbraw/zinc/67/52/56/532675256.db2.gz NXOXLIAJDJLRES-STQMWFEESA-N 1 0 382.302 2.116 20 0 GEADRO CCOC(=O)c1sc(NC(=O)CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1C ZINC000534951957 532675235 /nfs/dbraw/zinc/67/52/35/532675235.db2.gz PBZDIIWBRUXDII-OLZOCXBDSA-N 1 0 385.555 2.149 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000568292415 532675399 /nfs/dbraw/zinc/67/53/99/532675399.db2.gz MMWAQXBYXSNBFL-UHFFFAOYSA-N 1 0 396.329 2.184 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000483275133 532675394 /nfs/dbraw/zinc/67/53/94/532675394.db2.gz CETUOWMVUYYMFI-VXGBXAGGSA-N 1 0 388.281 2.185 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000534996642 532675581 /nfs/dbraw/zinc/67/55/81/532675581.db2.gz YODITCQQSFBULE-ZDUSSCGKSA-N 1 0 385.917 2.183 20 0 GEADRO O=C(CN[C@H](CO)c1c(Cl)cccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000483247465 532676334 /nfs/dbraw/zinc/67/63/34/532676334.db2.gz BGFFWKWMJWKBSN-MRXNPFEDSA-N 1 0 386.323 2.359 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000285371901 532676420 /nfs/dbraw/zinc/67/64/20/532676420.db2.gz UZWUKZJOHWTZOL-NXEZZACHSA-N 1 0 376.404 2.186 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CCN([C@H]2CCSC2)CC1 ZINC000378049336 532677172 /nfs/dbraw/zinc/67/71/72/532677172.db2.gz XLPJRFMCSKPENA-ZDUSSCGKSA-N 1 0 399.358 2.173 20 0 GEADRO Fc1cc2ncnc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2cc1Br ZINC000568474386 532678415 /nfs/dbraw/zinc/67/84/15/532678415.db2.gz CTKVMYTUFVABTH-PHIMTYICSA-N 1 0 381.249 2.807 20 0 GEADRO Cc1nc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)sc1Cc1cccc(C)c1 ZINC000438883452 532678523 /nfs/dbraw/zinc/67/85/23/532678523.db2.gz MPIQSLQYEVURSQ-AWEZNQCLSA-N 1 0 381.523 2.051 20 0 GEADRO C[NH+](C)C1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438851500 532679171 /nfs/dbraw/zinc/67/91/71/532679171.db2.gz YHQHPRAKTQWCCS-HNNXBMFYSA-N 1 0 375.282 2.354 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568513118 532679147 /nfs/dbraw/zinc/67/91/47/532679147.db2.gz CGSLHRMALCHHSW-UONOGXRCSA-N 1 0 396.329 2.463 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000264839367 532679396 /nfs/dbraw/zinc/67/93/96/532679396.db2.gz ALPPRBCVSSDCNA-LLVKDONJSA-N 1 0 396.340 2.118 20 0 GEADRO CN(Cc1nnnn1-c1ccccc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000600728104 532680277 /nfs/dbraw/zinc/68/02/77/532680277.db2.gz WPZRIKHRIYHZQD-CYBMUJFWSA-N 1 0 377.290 2.093 20 0 GEADRO COC(=O)c1sccc1NC(=O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000600739953 532680861 /nfs/dbraw/zinc/68/08/61/532680861.db2.gz VYTLPHKEERFISJ-ZANVPECISA-N 1 0 379.404 2.075 20 0 GEADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000638122915 532681233 /nfs/dbraw/zinc/68/12/33/532681233.db2.gz MRNLNXRRMDKOOM-QMTHXVAHSA-N 1 0 381.782 2.016 20 0 GEADRO C[C@@H]1C[C@@H](N(C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000638115427 532681343 /nfs/dbraw/zinc/68/13/43/532681343.db2.gz BZBKKHSVVAKUKW-YPMHNXCESA-N 1 0 390.347 2.011 20 0 GEADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cnn3cc(Br)cnc13)CC2 ZINC000638114544 532681927 /nfs/dbraw/zinc/68/19/27/532681927.db2.gz WXFCSDLJVSXNNF-HUUCEWRRSA-N 1 0 395.301 2.244 20 0 GEADRO COc1nsc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1Br ZINC000638119500 532682503 /nfs/dbraw/zinc/68/25/03/532682503.db2.gz SLUWBKRKURZSIN-LLVKDONJSA-N 1 0 376.320 2.068 20 0 GEADRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000638122916 532682635 /nfs/dbraw/zinc/68/26/35/532682635.db2.gz MRNLNXRRMDKOOM-YGRLFVJLSA-N 1 0 381.782 2.016 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)Nc4ccc(Br)cc43)[C@@H]2C1 ZINC000568621734 532682687 /nfs/dbraw/zinc/68/26/87/532682687.db2.gz FXQJFHHCCQKTQD-SGIREYDYSA-N 1 0 392.297 2.428 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCC(CO)(CO)C1 ZINC000661947936 532682712 /nfs/dbraw/zinc/68/27/12/532682712.db2.gz LQYCDAQEWAVMQV-UHFFFAOYSA-N 1 0 399.329 2.461 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CCn1cc(Br)cn1 ZINC000661897372 532682956 /nfs/dbraw/zinc/68/29/56/532682956.db2.gz JYPKXIRFMCFOMS-AWEZNQCLSA-N 1 0 386.338 2.407 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000378218501 532683559 /nfs/dbraw/zinc/68/35/59/532683559.db2.gz BLTXRDZMTLVAHH-UKRRQHHQSA-N 1 0 386.901 2.279 20 0 GEADRO COc1nsc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1Br ZINC000639212105 532691778 /nfs/dbraw/zinc/69/17/78/532691778.db2.gz AYUODHMHWRJOAX-JSGCOSHPSA-N 1 0 377.304 2.324 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1Cl ZINC000639233005 532691969 /nfs/dbraw/zinc/69/19/69/532691969.db2.gz SUYXDMCFXIOSRW-HOCLYGCPSA-N 1 0 381.885 2.392 20 0 GEADRO OCC[N@@H+](Cc1cccnc1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439419493 532692372 /nfs/dbraw/zinc/69/23/72/532692372.db2.gz HNXSLONRGMDBIJ-INIZCTEOSA-N 1 0 399.260 2.217 20 0 GEADRO OCC[C@H]1CSCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439454464 532693096 /nfs/dbraw/zinc/69/30/96/532693096.db2.gz RSYGHOFAKAAGMU-KBPBESRZSA-N 1 0 394.306 2.128 20 0 GEADRO COCCO[C@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439445099 532694429 /nfs/dbraw/zinc/69/44/29/532694429.db2.gz XVTDIZABDPPWAH-CABCVRRESA-N 1 0 392.265 2.065 20 0 GEADRO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000378460804 532695172 /nfs/dbraw/zinc/69/51/72/532695172.db2.gz KCDAOXGVTRXNON-BLLLJJGKSA-N 1 0 375.922 2.023 20 0 GEADRO O=S1(=O)CCC(O)(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000536607495 532695328 /nfs/dbraw/zinc/69/53/28/532695328.db2.gz VQFOMPTWCLUSQO-AWEZNQCLSA-N 1 0 380.535 2.415 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000378448782 532696117 /nfs/dbraw/zinc/69/61/17/532696117.db2.gz DUUVCZUKNOIHOL-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000439592837 532696871 /nfs/dbraw/zinc/69/68/71/532696871.db2.gz VEHRMCQOMFONLG-CYBMUJFWSA-N 1 0 396.285 2.091 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(Br)ccc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439589264 532697212 /nfs/dbraw/zinc/69/72/12/532697212.db2.gz AKNYONBERBBRNG-GFCCVEGCSA-N 1 0 384.249 2.222 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(F)cc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439584352 532697713 /nfs/dbraw/zinc/69/77/13/532697713.db2.gz BHCYSJNJBUNGQH-GFCCVEGCSA-N 1 0 384.249 2.222 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000536663752 532698305 /nfs/dbraw/zinc/69/83/05/532698305.db2.gz STZBLUXNEJAYCX-AWEZNQCLSA-N 1 0 384.311 2.463 20 0 GEADRO CCCCCNC(=O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640863960 532698727 /nfs/dbraw/zinc/69/87/27/532698727.db2.gz LQOYZFDBRABIOZ-MRXNPFEDSA-N 1 0 380.290 2.395 20 0 GEADRO Cc1csc(=O)n1CCn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640861849 532699282 /nfs/dbraw/zinc/69/92/82/532699282.db2.gz IYVGVSWIEKGMRF-AWEZNQCLSA-N 1 0 394.298 2.321 20 0 GEADRO COc1cc(Br)c(Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)cc1OC ZINC000640860321 532699505 /nfs/dbraw/zinc/69/95/05/532699505.db2.gz PZQVHOKYFPKAHQ-BBRMVZONSA-N 1 0 397.273 2.285 20 0 GEADRO COCc1c(Br)cccc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000265912978 532699588 /nfs/dbraw/zinc/69/95/88/532699588.db2.gz HMKSSCCWKNFJAY-UHFFFAOYSA-N 1 0 386.290 2.174 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)C1 ZINC000604390323 532700211 /nfs/dbraw/zinc/70/02/11/532700211.db2.gz VVRPHBXDYSZLOB-QGZVFWFLSA-N 1 0 392.345 2.309 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000666683530 532700511 /nfs/dbraw/zinc/70/05/11/532700511.db2.gz ZRTGDHBUQVIVAF-UHFFFAOYSA-N 1 0 379.262 2.055 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000382451593 532701874 /nfs/dbraw/zinc/70/18/74/532701874.db2.gz NEKNVJXJHOAUDD-VXGBXAGGSA-N 1 0 377.304 2.396 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000666694437 532701879 /nfs/dbraw/zinc/70/18/79/532701879.db2.gz SGIOMIUCXUJVLP-ZDUSSCGKSA-N 1 0 397.317 2.343 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000382451590 532701978 /nfs/dbraw/zinc/70/19/78/532701978.db2.gz NEKNVJXJHOAUDD-NEPJUHHUSA-N 1 0 377.304 2.396 20 0 GEADRO COc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1Br ZINC000378274042 532687708 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Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(Cl)c1 ZINC000378310191 532689802 /nfs/dbraw/zinc/68/98/02/532689802.db2.gz UIBQUDQSQFYOMA-NVXWUHKLSA-N 1 0 385.961 2.295 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)C[C@H]1[NH+](C)C ZINC000378307305 532689841 /nfs/dbraw/zinc/68/98/41/532689841.db2.gz FZCKHIDNOZLCSP-GKLJAUDBSA-N 1 0 381.567 2.162 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ncc(Br)s1 ZINC000664331586 532689968 /nfs/dbraw/zinc/68/99/68/532689968.db2.gz YTWIFORPFNGGGP-CYBMUJFWSA-N 1 0 396.310 2.402 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000664355390 532690731 /nfs/dbraw/zinc/69/07/31/532690731.db2.gz QNGPMQXVKXPLSV-UHFFFAOYSA-N 1 0 386.283 2.500 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)[C@H]1n1cccn1 ZINC000639213674 532690738 /nfs/dbraw/zinc/69/07/38/532690738.db2.gz OKBYDCQNGAMRKV-RBSFLKMASA-N 1 0 391.273 2.197 20 0 GEADRO CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@@H](O)c1ccc(Br)cc1 ZINC000265272025 532690972 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COc1cccc2sc(NC(=O)CN3C[C@H](SC)[C@@H]([NH+](C)C)C3)nc21 ZINC000537275967 532705040 /nfs/dbraw/zinc/70/50/40/532705040.db2.gz KZGSAEKFHFTSEQ-FZMZJTMJSA-N 1 0 380.539 2.221 20 0 GEADRO CCOC(=O)CCCS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000609707238 532718176 /nfs/dbraw/zinc/71/81/76/532718176.db2.gz ALEFVRANHDIXGA-OAHLLOKOSA-N 1 0 388.555 2.223 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC000266200152 532706637 /nfs/dbraw/zinc/70/66/37/532706637.db2.gz SHKJUWOUMIUOLZ-CQSZACIVSA-N 1 0 382.917 2.406 20 0 GEADRO CCOC(=O)CCCS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000609707237 532718203 /nfs/dbraw/zinc/71/82/03/532718203.db2.gz ALEFVRANHDIXGA-HNNXBMFYSA-N 1 0 388.555 2.223 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000572613354 532707259 /nfs/dbraw/zinc/70/72/59/532707259.db2.gz YSBLVBYCBBFGOL-GFCCVEGCSA-N 1 0 379.262 2.292 20 0 GEADRO Cc1nccnc1CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000572631859 532708047 /nfs/dbraw/zinc/70/80/47/532708047.db2.gz KAAQBTAWMXQBGS-AWEZNQCLSA-N 1 0 384.249 2.259 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1cc2c(s1)CCCC2)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000537421663 532708416 /nfs/dbraw/zinc/70/84/16/532708416.db2.gz HTKSMNGFEFPUCU-MELADBBJSA-N 1 0 384.567 2.217 20 0 GEADRO COC(=O)[C@@H](NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000573253084 532709821 /nfs/dbraw/zinc/70/98/21/532709821.db2.gz AXGRHMSGQIKGFC-HOCLYGCPSA-N 1 0 391.295 2.320 20 0 GEADRO C[C@H](CNC(=O)CCn1cc(Br)ccc1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000494329920 532718250 /nfs/dbraw/zinc/71/82/50/532718250.db2.gz ZJGMIXRFFYZLAP-UONOGXRCSA-N 1 0 384.318 2.238 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440334532 532709993 /nfs/dbraw/zinc/70/99/93/532709993.db2.gz DNODGQDKQBFRSO-VXGBXAGGSA-N 1 0 382.507 2.354 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)NCCC[NH3+])c(Br)c1 ZINC000440346165 532710474 /nfs/dbraw/zinc/71/04/74/532710474.db2.gz SWMQRNKKUVDLFF-UHFFFAOYSA-N 1 0 386.109 2.147 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)C1 ZINC000608047639 532710573 /nfs/dbraw/zinc/71/05/73/532710573.db2.gz VYFGBOKOLQHQAU-UKRRQHHQSA-N 1 0 387.571 2.298 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000573791163 532711547 /nfs/dbraw/zinc/71/15/47/532711547.db2.gz HQRWAOROOHYMDH-KFWWJZLASA-N 1 0 382.551 2.171 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000573791165 532711766 /nfs/dbraw/zinc/71/17/66/532711766.db2.gz HQRWAOROOHYMDH-ZNMIVQPWSA-N 1 0 382.551 2.171 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@H]1C[NH2+]CCC1(F)F ZINC000643989006 532711998 /nfs/dbraw/zinc/71/19/98/532711998.db2.gz LGYYBMQQOAFGQA-SNVBAGLBSA-N 1 0 391.212 2.081 20 0 GEADRO C[C@H](NC(=O)c1cc(I)ccc1O)C1CC[NH+](C)CC1 ZINC000396474818 532712479 /nfs/dbraw/zinc/71/24/79/532712479.db2.gz DRLZTLWZPIMOIR-JTQLQIEISA-N 1 0 388.249 2.457 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(I)c2)[C@@H]1C[NH3+] ZINC000440407446 532712962 /nfs/dbraw/zinc/71/29/62/532712962.db2.gz NKGDWABQSJHREZ-ZWNOBZJWSA-N 1 0 394.278 2.039 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000440417169 532713504 /nfs/dbraw/zinc/71/35/04/532713504.db2.gz XKAHEOKIFZGVTD-JQWIXIFHSA-N 1 0 377.304 2.124 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000440419250 532713520 /nfs/dbraw/zinc/71/35/20/532713520.db2.gz CVSNWYKQJQKGLS-NSHDSACASA-N 1 0 382.404 2.288 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000285850239 532713707 /nfs/dbraw/zinc/71/37/07/532713707.db2.gz DNIGOWXXQCBLEP-NXEZZACHSA-N 1 0 380.436 2.186 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440439748 532714720 /nfs/dbraw/zinc/71/47/20/532714720.db2.gz DTSWTHLPZGZPJY-GFCCVEGCSA-N 1 0 389.315 2.281 20 0 GEADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000440430267 532714783 /nfs/dbraw/zinc/71/47/83/532714783.db2.gz MVJPGYXDAGVKHP-LLVKDONJSA-N 1 0 386.411 2.237 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1Cl ZINC000440449320 532714909 /nfs/dbraw/zinc/71/49/09/532714909.db2.gz WKKKQQGWGGWIFF-JTQLQIEISA-N 1 0 385.711 2.373 20 0 GEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000440521026 532715772 /nfs/dbraw/zinc/71/57/72/532715772.db2.gz MSFCQPILANOWST-GOSISDBHSA-N 1 0 390.281 2.211 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000645303385 532715889 /nfs/dbraw/zinc/71/58/89/532715889.db2.gz RCFGMJNCFAAHDE-SNVBAGLBSA-N 1 0 379.766 2.388 20 0 GEADRO COCCn1cc(C[NH2+]CCC(=O)Nc2cccc(Br)c2)cn1 ZINC000575054203 532716123 /nfs/dbraw/zinc/71/61/23/532716123.db2.gz SYEIOWKWDZRCKU-UHFFFAOYSA-N 1 0 381.274 2.410 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC000494308951 532717000 /nfs/dbraw/zinc/71/70/00/532717000.db2.gz IEEZKTYQPMHQIT-ZETCQYMHSA-N 1 0 392.179 2.126 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccccc1Br ZINC000670851507 532720038 /nfs/dbraw/zinc/72/00/38/532720038.db2.gz NEABDXJVDASVPZ-AWEZNQCLSA-N 1 0 382.302 2.056 20 0 GEADRO CCN1CC[C@H](NC(=O)[C@H]([NH3+])CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000577061815 532732568 /nfs/dbraw/zinc/73/25/68/532732568.db2.gz UZOIRZZFCLCPQN-YCPHGPKFSA-N 1 0 375.460 2.436 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000670868531 532720522 /nfs/dbraw/zinc/72/05/22/532720522.db2.gz NLJWZZUEHFIZGU-INIZCTEOSA-N 1 0 396.329 2.098 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC[NH+](C)C)c1 ZINC000299502145 532721419 /nfs/dbraw/zinc/72/14/19/532721419.db2.gz NNSHKBMYWVPZCQ-UHFFFAOYSA-N 1 0 389.949 2.442 20 0 GEADRO CC(C)C[N@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(C)C ZINC000440715385 532721695 /nfs/dbraw/zinc/72/16/95/532721695.db2.gz SPPRUMWLRNXBTP-UHFFFAOYSA-N 1 0 390.571 2.077 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000440857567 532722982 /nfs/dbraw/zinc/72/29/82/532722982.db2.gz JJTQONMJSJHYAM-DYVFJYSZSA-N 1 0 390.933 2.422 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCOc2ccccc2)CC1 ZINC000497370306 532723145 /nfs/dbraw/zinc/72/31/45/532723145.db2.gz XRNABZOFFZFZQF-UHFFFAOYSA-N 1 0 380.432 2.354 20 0 GEADRO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[C@@H](O)C[NH+]2CCN(C)CC2)n1 ZINC000576128836 532723293 /nfs/dbraw/zinc/72/32/93/532723293.db2.gz IIUNSXRJLXAWMD-AWEZNQCLSA-N 1 0 384.311 2.169 20 0 GEADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000646107928 532723724 /nfs/dbraw/zinc/72/37/24/532723724.db2.gz HJZIYZCXNBECST-XHDPSFHLSA-N 1 0 380.794 2.080 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)[C@H](C[NH3+])C1 ZINC000440860697 532723926 /nfs/dbraw/zinc/72/39/26/532723926.db2.gz PKHOCEBAJCBHMO-NWDGAFQWSA-N 1 0 387.552 2.307 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000612971883 532724002 /nfs/dbraw/zinc/72/40/02/532724002.db2.gz XHXQALWDNKFEET-ZBFHGGJFSA-N 1 0 393.329 2.469 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612979671 532724134 /nfs/dbraw/zinc/72/41/34/532724134.db2.gz IKVBPWIHGFOJMM-ZDUSSCGKSA-N 1 0 397.317 2.443 20 0 GEADRO CN(C)c1ncc(CN(C)C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cn1 ZINC000646505678 532724234 /nfs/dbraw/zinc/72/42/34/532724234.db2.gz BATHOYCUMNVVDE-QGZVFWFLSA-N 1 0 392.301 2.138 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000646484209 532724294 /nfs/dbraw/zinc/72/42/94/532724294.db2.gz OEKVLFCYSCIJAN-GARJFASQSA-N 1 0 388.331 2.180 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c(F)cccc1OC(F)(F)F ZINC000672384452 532724814 /nfs/dbraw/zinc/72/48/14/532724814.db2.gz UMSCKQXUCVTPHJ-LLVKDONJSA-N 1 0 382.379 2.487 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1OC(F)(F)F ZINC000672376980 532724914 /nfs/dbraw/zinc/72/49/14/532724914.db2.gz LAURUQKAJNWMMX-JTQLQIEISA-N 1 0 382.379 2.487 20 0 GEADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CC[S@@](=O)c2ccccc2)CC1 ZINC000576143124 532725405 /nfs/dbraw/zinc/72/54/05/532725405.db2.gz MTRILDNPAOOKKO-VOIUYBSRSA-N 1 0 386.583 2.176 20 0 GEADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cnn(C)c2Br)cc1 ZINC000286042365 532725687 /nfs/dbraw/zinc/72/56/87/532725687.db2.gz KWKOODNYTRGMKY-AWEZNQCLSA-N 1 0 381.274 2.224 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000299549916 532726413 /nfs/dbraw/zinc/72/64/13/532726413.db2.gz YQYVOPAPTWUCDF-AWEZNQCLSA-N 1 0 388.281 2.186 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000299571090 532726823 /nfs/dbraw/zinc/72/68/23/532726823.db2.gz UCRJODZDNVBNCF-JSGCOSHPSA-N 1 0 395.301 2.115 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000576216771 532727624 /nfs/dbraw/zinc/72/76/24/532727624.db2.gz KVRYULJUQWRTAV-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)[C@@H](C)N1CCOCC1 ZINC000576220310 532727919 /nfs/dbraw/zinc/72/79/19/532727919.db2.gz MBPUWARFSUZYBE-ZIAGYGMSSA-N 1 0 384.318 2.477 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000442004888 532728016 /nfs/dbraw/zinc/72/80/16/532728016.db2.gz TYAMMICRGRJHSG-LBPRGKRZSA-N 1 0 396.285 2.139 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000672698487 532728364 /nfs/dbraw/zinc/72/83/64/532728364.db2.gz QZQCPNOJASUBFO-JSGCOSHPSA-N 1 0 397.317 2.012 20 0 GEADRO CN(CCC[NH+]1CCCC1)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000499960065 532729314 /nfs/dbraw/zinc/72/93/14/532729314.db2.gz ZTXHKGRJJKAKFF-UHFFFAOYSA-N 1 0 387.933 2.100 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000539417066 532729337 /nfs/dbraw/zinc/72/93/37/532729337.db2.gz JDDDNWITDUADNW-ZDUSSCGKSA-N 1 0 382.302 2.212 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C2CCC(O)CC2)c1 ZINC000286123881 532729893 /nfs/dbraw/zinc/72/98/93/532729893.db2.gz OEONTIUMTOHHQJ-UHFFFAOYSA-N 1 0 385.302 2.471 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c(F)cc1Br ZINC000500034152 532731071 /nfs/dbraw/zinc/73/10/71/532731071.db2.gz MERHSJABFDHXGD-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000299630706 532731215 /nfs/dbraw/zinc/73/12/15/532731215.db2.gz GKKSRCHGTJDVJN-INIZCTEOSA-N 1 0 382.551 2.307 20 0 GEADRO COC(=O)c1c(C)c(C)sc1NC(=O)CN1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000539492703 532731473 /nfs/dbraw/zinc/73/14/73/532731473.db2.gz HSDHHVUWQPDNFK-CHWSQXEVSA-N 1 0 385.555 2.067 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)C1 ZINC000442573260 532732035 /nfs/dbraw/zinc/73/20/35/532732035.db2.gz XPGJDDHPKYCIDS-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000442594621 532732252 /nfs/dbraw/zinc/73/22/52/532732252.db2.gz DFGZDBRSOWGBLY-UONOGXRCSA-N 1 0 394.313 2.389 20 0 GEADRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000440641296 532718884 /nfs/dbraw/zinc/71/88/84/532718884.db2.gz VQTSAQPRVGYUSI-LBPRGKRZSA-N 1 0 379.507 2.345 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000575311681 532719420 /nfs/dbraw/zinc/71/94/20/532719420.db2.gz SJSHYDIYGSPWCW-UHFFFAOYSA-N 1 0 398.326 2.452 20 0 GEADRO C[N@@H+]1CCN(CCNc2cc(Br)cc(F)c2C(N)=O)CC1(C)C ZINC000440645846 532719672 /nfs/dbraw/zinc/71/96/72/532719672.db2.gz DYUVUQOTSNXAFJ-UHFFFAOYSA-N 1 0 387.297 2.125 20 0 GEADRO COC(=O)c1csc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000285935727 532719725 /nfs/dbraw/zinc/71/97/25/532719725.db2.gz FMSMFNXASHQUFC-SNVBAGLBSA-N 1 0 396.481 2.450 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000502851136 532742454 /nfs/dbraw/zinc/74/24/54/532742454.db2.gz GNTZVMLLKCFXEL-WMLDXEAASA-N 1 0 399.329 2.427 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000502858941 532742637 /nfs/dbraw/zinc/74/26/37/532742637.db2.gz UJDMNCKQZFQUEO-NILFDRSVSA-N 1 0 382.302 2.131 20 0 GEADRO CC(C)[C@H](CNc1ncc(S(N)(=O)=O)s1)[N@@H+]1CCc2ccccc2C1 ZINC000301169383 532742834 /nfs/dbraw/zinc/74/28/34/532742834.db2.gz WNIRDVMQYPJGRH-HNNXBMFYSA-N 1 0 380.539 2.285 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579712210 532742943 /nfs/dbraw/zinc/74/29/43/532742943.db2.gz KMRXPPYAZYPFLA-VNQPRFMTSA-N 1 0 380.330 2.337 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000540723358 532743085 /nfs/dbraw/zinc/74/30/85/532743085.db2.gz MSEKGHADGDIYJM-DCGLDWPTSA-N 1 0 384.929 2.246 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@@H]1[NH+](C)C ZINC000503225541 532745238 /nfs/dbraw/zinc/74/52/38/532745238.db2.gz YSOIUCZSTBKKJH-STQMWFEESA-N 1 0 397.335 2.254 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000443323492 532745475 /nfs/dbraw/zinc/74/54/75/532745475.db2.gz RVDJHFVXJCFZPX-NSHDSACASA-N 1 0 377.819 2.030 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000503324703 532745491 /nfs/dbraw/zinc/74/54/91/532745491.db2.gz QNKKSJPEYSULPJ-JTQLQIEISA-N 1 0 377.229 2.107 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000443323489 532746193 /nfs/dbraw/zinc/74/61/93/532746193.db2.gz RVDJHFVXJCFZPX-LLVKDONJSA-N 1 0 377.819 2.030 20 0 GEADRO Cc1nnc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)[nH]1 ZINC000540864741 532746244 /nfs/dbraw/zinc/74/62/44/532746244.db2.gz PFHJSTANGRNBJV-HIFRSBDPSA-N 1 0 395.301 2.495 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580445019 532746995 /nfs/dbraw/zinc/74/69/95/532746995.db2.gz FPORJOHZVWSTIX-HNNXBMFYSA-N 1 0 377.897 2.445 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CCCC1 ZINC000540874786 532747021 /nfs/dbraw/zinc/74/70/21/532747021.db2.gz XJTKRLCGCHUKGC-UHFFFAOYSA-N 1 0 381.420 2.175 20 0 GEADRO CC1CC[NH+](C[C@@H]2CCCN(c3cnn(C)c(=O)c3Br)C2)CC1 ZINC000301272794 532747245 /nfs/dbraw/zinc/74/72/45/532747245.db2.gz YMMKAGKCHQLWPU-AWEZNQCLSA-N 1 0 383.334 2.491 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000673896491 532733758 /nfs/dbraw/zinc/73/37/58/532733758.db2.gz UAYCSTYSSHBYGU-ZDUSSCGKSA-N 1 0 377.312 2.122 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000267139836 532733966 /nfs/dbraw/zinc/73/39/66/532733966.db2.gz QCSOYYVHRXKLCY-UHFFFAOYSA-N 1 0 384.249 2.256 20 0 GEADRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1cncc(Br)c1 ZINC000578506638 532737299 /nfs/dbraw/zinc/73/72/99/532737299.db2.gz TWOPKZWQAJANIB-UHFFFAOYSA-N 1 0 376.320 2.374 20 0 GEADRO CN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000578506132 532737312 /nfs/dbraw/zinc/73/73/12/532737312.db2.gz KSWFLUPSIPITRT-OAHLLOKOSA-N 1 0 383.901 2.120 20 0 GEADRO CCOC[C@H]([NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)C(C)C ZINC000286275176 532737919 /nfs/dbraw/zinc/73/79/19/532737919.db2.gz UFRNIQLKFDBVJY-ZDUSSCGKSA-N 1 0 378.441 2.272 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000578505199 532737918 /nfs/dbraw/zinc/73/79/18/532737918.db2.gz BUZGZSILSBPGEE-SNVBAGLBSA-N 1 0 379.766 2.388 20 0 GEADRO O=C(Cc1cc(Cl)ccc1Br)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614509048 532738748 /nfs/dbraw/zinc/73/87/48/532738748.db2.gz ZJIUALRWODKRJF-AWEZNQCLSA-N 1 0 386.721 2.151 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CCSC1 ZINC000267358170 532741238 /nfs/dbraw/zinc/74/12/38/532741238.db2.gz RUKCAECOLWXLNA-HNNXBMFYSA-N 1 0 376.309 2.485 20 0 GEADRO COC(=O)c1csc([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000286345093 532741644 /nfs/dbraw/zinc/74/16/44/532741644.db2.gz YYXHWWIOTVRNMG-PWSUYJOCSA-N 1 0 389.520 2.082 20 0 GEADRO CCC[NH+]1CCC(CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000301134766 532741900 /nfs/dbraw/zinc/74/19/00/532741900.db2.gz YDCDMPYIBUQFRP-UHFFFAOYSA-N 1 0 388.555 2.028 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)c1[nH]nc2ccc(I)cc21 ZINC000506771640 532754411 /nfs/dbraw/zinc/75/44/11/532754411.db2.gz HOZPMNGSDYYMRQ-UHFFFAOYSA-N 1 0 396.232 2.159 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000617886142 532755319 /nfs/dbraw/zinc/75/53/19/532755319.db2.gz UTLFPJJNWXOWEN-NSHDSACASA-N 1 0 375.416 2.490 20 0 GEADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000581368541 532755731 /nfs/dbraw/zinc/75/57/31/532755731.db2.gz OHYIGSBGUJKINU-RISCZKNCSA-N 1 0 393.285 2.241 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Br ZINC000268167767 532756744 /nfs/dbraw/zinc/75/67/44/532756744.db2.gz LAVAHDUJCNNSEH-IAQYHMDHSA-N 1 0 380.286 2.295 20 0 GEADRO CCOc1cc(C[NH2+][C@H]2CCc3nnnn3CC2)cc(Br)c1O ZINC000581541957 532757257 /nfs/dbraw/zinc/75/72/57/532757257.db2.gz QMUDPKBLCPEAHU-NSHDSACASA-N 1 0 382.262 2.035 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(CCOc2cccc(Br)c2)CC1 ZINC000507705238 532757881 /nfs/dbraw/zinc/75/78/81/532757881.db2.gz UCYMHDJJCKFQLX-UHFFFAOYSA-N 1 0 398.345 2.314 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cc(Br)c[nH]3)CC2)CC1 ZINC000541749971 532757913 /nfs/dbraw/zinc/75/79/13/532757913.db2.gz XCYRSFHVIGRKRM-UHFFFAOYSA-N 1 0 383.334 2.267 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000581884683 532758169 /nfs/dbraw/zinc/75/81/69/532758169.db2.gz SPZSRXNBPBYFMX-NEPJUHHUSA-N 1 0 384.933 2.074 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000541752911 532758434 /nfs/dbraw/zinc/75/84/34/532758434.db2.gz WMPKCIPPBIYBIV-OAHLLOKOSA-N 1 0 385.302 2.400 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)cnc12 ZINC000451223501 532762291 /nfs/dbraw/zinc/76/22/91/532762291.db2.gz TXPXCFSTWVOBFC-IYBDPMFKSA-N 1 0 379.302 2.358 20 0 GEADRO COc1ccc(Br)cc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620481530 532762685 /nfs/dbraw/zinc/76/26/85/532762685.db2.gz FXEHCNOKHSQZAR-CQSZACIVSA-N 1 0 383.286 2.129 20 0 GEADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)CC1 ZINC000508566458 532762710 /nfs/dbraw/zinc/76/27/10/532762710.db2.gz XTSVTOLFKLMMBQ-UHFFFAOYSA-N 1 0 397.321 2.120 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[N@@H+]1C ZINC000504613748 532748552 /nfs/dbraw/zinc/74/85/52/532748552.db2.gz KVLBVXWQRSSNGC-ONGXEEELSA-N 1 0 375.803 2.479 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000443501160 532748618 /nfs/dbraw/zinc/74/86/18/532748618.db2.gz OIGHGKYDFQLRQE-GFCCVEGCSA-N 1 0 382.507 2.403 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[N@@H+]1C ZINC000443719210 532749312 /nfs/dbraw/zinc/74/93/12/532749312.db2.gz BPYDMOHTDKVLIQ-WCBMZHEXSA-N 1 0 390.228 2.265 20 0 GEADRO O=C(CC[NH+]1CCC2(CNC(=O)C2)CC1)Nc1ccccc1Br ZINC000267851881 532751508 /nfs/dbraw/zinc/75/15/08/532751508.db2.gz WOSDNXREFNZGNH-UHFFFAOYSA-N 1 0 380.286 2.380 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000267852728 532751678 /nfs/dbraw/zinc/75/16/78/532751678.db2.gz DXLGNVXXMQGWHA-QWHCGFSZSA-N 1 0 384.249 2.270 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000411246499 532751829 /nfs/dbraw/zinc/75/18/29/532751829.db2.gz MWNBCNHWXWAAPT-MFKMUULPSA-N 1 0 377.794 2.128 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000286509992 532752058 /nfs/dbraw/zinc/75/20/58/532752058.db2.gz OEJFXXFHNFKHMW-LBPRGKRZSA-N 1 0 384.307 2.419 20 0 GEADRO CN(C)c1cc(NC(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)ncc1Br ZINC000580995542 532752183 /nfs/dbraw/zinc/75/21/83/532752183.db2.gz RVLOKZCRIZAOFI-RYUDHWBXSA-N 1 0 396.289 2.185 20 0 GEADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1n[nH]c(C2CC2)c1Br ZINC000269157354 532775884 /nfs/dbraw/zinc/77/58/84/532775884.db2.gz ILDXTLHYEPERTD-UHFFFAOYSA-N 1 0 391.273 2.107 20 0 GEADRO C[NH+](C)C1CN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000542670418 532775991 /nfs/dbraw/zinc/77/59/91/532775991.db2.gz FSAALPBWRKLXMA-UHFFFAOYSA-N 1 0 381.164 2.347 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000287040064 532779877 /nfs/dbraw/zinc/77/98/77/532779877.db2.gz VZHQUFHSACSSFN-UHFFFAOYSA-N 1 0 386.543 2.034 20 0 GEADRO C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000269176674 532776470 /nfs/dbraw/zinc/77/64/70/532776470.db2.gz HICLWTDCLFJXGO-MNOVXSKESA-N 1 0 388.331 2.087 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000269173537 532776675 /nfs/dbraw/zinc/77/66/75/532776675.db2.gz KJPDAOJDGJSTOD-GUYCJALGSA-N 1 0 386.323 2.483 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000269171525 532776711 /nfs/dbraw/zinc/77/67/11/532776711.db2.gz IWVYRNAUADJCBY-CXAGYDPISA-N 1 0 386.323 2.435 20 0 GEADRO CCCN(C(=O)c1cccn2c(I)cnc12)[C@@H]1CC[NH2+]C1 ZINC000269176004 532776754 /nfs/dbraw/zinc/77/67/54/532776754.db2.gz MHYHVLKFXDEDTE-LLVKDONJSA-N 1 0 398.248 2.153 20 0 GEADRO CCCc1c(C(=O)N2CC[C@H]([NH3+])C2)nnn1Cc1cccc(Br)c1 ZINC000269169505 532776870 /nfs/dbraw/zinc/77/68/70/532776870.db2.gz SLANVTZXWIKNNG-AWEZNQCLSA-N 1 0 392.301 2.215 20 0 GEADRO C[C@@H](NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000269246394 532777139 /nfs/dbraw/zinc/77/71/39/532777139.db2.gz YLBSTUXDZJEFPJ-DGCLKSJQSA-N 1 0 379.917 2.392 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000269249716 532777363 /nfs/dbraw/zinc/77/73/63/532777363.db2.gz GPEZWYGNMHDEOU-PBHICJAKSA-N 1 0 396.329 2.033 20 0 GEADRO COc1ccc(I)c(NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000269242025 532777678 /nfs/dbraw/zinc/77/76/78/532777678.db2.gz IWNUICZMIJQDEU-LLVKDONJSA-N 1 0 390.221 2.007 20 0 GEADRO Cc1nc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000310790852 532777987 /nfs/dbraw/zinc/77/79/87/532777987.db2.gz DPSCLPILFSEMSE-WFASDCNBSA-N 1 0 380.539 2.421 20 0 GEADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000269263617 532777993 /nfs/dbraw/zinc/77/79/93/532777993.db2.gz CQQIKZLGKZMIAE-UKRRQHHQSA-N 1 0 380.901 2.379 20 0 GEADRO Cn1cc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)nc1Cl ZINC000269263803 532778223 /nfs/dbraw/zinc/77/82/23/532778223.db2.gz CWGFVAOSZMARRU-UHFFFAOYSA-N 1 0 382.917 2.059 20 0 GEADRO O=C(CN1CC[NH2+]C[C@@H]1c1ccccc1)Nc1ccc(Br)cn1 ZINC000313374627 532778387 /nfs/dbraw/zinc/77/83/87/532778387.db2.gz WQPDUDYRWWNQFC-OAHLLOKOSA-N 1 0 375.270 2.429 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CCCO1 ZINC000313347534 532778602 /nfs/dbraw/zinc/77/86/02/532778602.db2.gz SLEPZNSRVXHBGS-SNVBAGLBSA-N 1 0 394.640 2.134 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CCCO1 ZINC000313330531 532779154 /nfs/dbraw/zinc/77/91/54/532779154.db2.gz AMDJBRCSDLJKOS-JTQLQIEISA-N 1 0 394.640 2.134 20 0 GEADRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)C[C@@H]2CCCCC2(F)F)CC1 ZINC000451227083 532763547 /nfs/dbraw/zinc/76/35/47/532763547.db2.gz KMWJXAOHMRFSBQ-ZBFHGGJFSA-N 1 0 382.517 2.166 20 0 GEADRO CN(C)c1nc2sc(C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2s1 ZINC000620487314 532763947 /nfs/dbraw/zinc/76/39/47/532763947.db2.gz VTLSWOHTVOKIBN-LBPRGKRZSA-N 1 0 380.539 2.095 20 0 GEADRO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000583079255 532763975 /nfs/dbraw/zinc/76/39/75/532763975.db2.gz RCSUZFZILSJIAR-QAPCUYQASA-N 1 0 384.307 2.299 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)CCc2ccc(Br)cc2OC)C1 ZINC000542081948 532764298 /nfs/dbraw/zinc/76/42/98/532764298.db2.gz MFQGCNBBZXBROV-HNNXBMFYSA-N 1 0 385.302 2.227 20 0 GEADRO COc1ncc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1Br ZINC000620980687 532764543 /nfs/dbraw/zinc/76/45/43/532764543.db2.gz ZKAYIJGNOGPIIA-ZDUSSCGKSA-N 1 0 386.290 2.036 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000542138047 532765747 /nfs/dbraw/zinc/76/57/47/532765747.db2.gz QBJMRHRXEJCRIO-SMDDNHRTSA-N 1 0 389.315 2.333 20 0 GEADRO O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000584529408 532768463 /nfs/dbraw/zinc/76/84/63/532768463.db2.gz GIBYWTIJXYWGMM-BETUJISGSA-N 1 0 378.416 2.248 20 0 GEADRO C[S@](=O)C1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000584525414 532768747 /nfs/dbraw/zinc/76/87/47/532768747.db2.gz IAOFKLHSXRRCDX-DMZKTXOQSA-N 1 0 394.306 2.219 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000268787551 532770126 /nfs/dbraw/zinc/77/01/26/532770126.db2.gz AUUNGDOIVZBVES-LLVKDONJSA-N 1 0 387.303 2.195 20 0 GEADRO CC[C@@H](C(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1)[NH+](C)C ZINC000456485913 532782104 /nfs/dbraw/zinc/78/21/04/532782104.db2.gz HXVAQUIOLHSQCH-HIFRSBDPSA-N 1 0 387.318 2.065 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(Br)cs2)[C@@H](C)C1 ZINC000287078803 532782358 /nfs/dbraw/zinc/78/23/58/532782358.db2.gz IHFFACKGHJLBSQ-WDEREUQCSA-N 1 0 376.320 2.107 20 0 GEADRO CCC[N@H+](C)CC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456492619 532782489 /nfs/dbraw/zinc/78/24/89/532782489.db2.gz SFKFCTICXTUFGY-GFCCVEGCSA-N 1 0 375.282 2.197 20 0 GEADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)NCCc1cccc(Cl)c1Cl ZINC000411998455 532783284 /nfs/dbraw/zinc/78/32/84/532783284.db2.gz VVMULEFPSIJYBL-HIFRSBDPSA-N 1 0 375.296 2.029 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nnnn1-c1ccccc1Br ZINC000287101568 532783324 /nfs/dbraw/zinc/78/33/24/532783324.db2.gz WHYZVFDGKCCXSV-ZFWWWQNUSA-N 1 0 391.317 2.483 20 0 GEADRO Cc1ccc(NC(=O)C[N@@H+](C)C2CCC(F)(F)CC2)cc1S(N)(=O)=O ZINC000287101474 532783357 /nfs/dbraw/zinc/78/33/57/532783357.db2.gz XUQKIWBPLLSPBQ-UHFFFAOYSA-N 1 0 375.441 2.091 20 0 GEADRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000269613841 532784394 /nfs/dbraw/zinc/78/43/94/532784394.db2.gz NJSSMWHGMXPXSG-XHSDSOJGSA-N 1 0 384.567 2.127 20 0 GEADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000412084509 532785250 /nfs/dbraw/zinc/78/52/50/532785250.db2.gz TVKXRMDWXOEPKY-ZFWWWQNUSA-N 1 0 377.428 2.447 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000457068683 532785474 /nfs/dbraw/zinc/78/54/74/532785474.db2.gz DWDFUVVMCBWPBL-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1OC ZINC000319261048 532785897 /nfs/dbraw/zinc/78/58/97/532785897.db2.gz PSKCKNJBBHPIAN-UHFFFAOYSA-N 1 0 395.319 2.262 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cn2cc(Br)cn2)on1 ZINC000269685470 532785904 /nfs/dbraw/zinc/78/59/04/532785904.db2.gz CRWLVFPRHDKOFD-UKRRQHHQSA-N 1 0 394.273 2.039 20 0 GEADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cccc(S(N)(=O)=O)c1 ZINC000287219603 532786787 /nfs/dbraw/zinc/78/67/87/532786787.db2.gz FYVSBORNGPALJL-LLVKDONJSA-N 1 0 387.303 2.034 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(CCS(=O)(=O)c1ccc(Br)cc1)C2 ZINC000320792777 532787717 /nfs/dbraw/zinc/78/77/17/532787717.db2.gz ZDXVORGKCAWDHO-BBRMVZONSA-N 1 0 387.343 2.284 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000287253042 532788205 /nfs/dbraw/zinc/78/82/05/532788205.db2.gz HJZXXFRNTHAVSM-IAQYHMDHSA-N 1 0 382.511 2.071 20 0 GEADRO CCOc1c(Br)cc(C[NH2+][C@@H]2COC[C@@H]2O)cc1Br ZINC000323291027 532788676 /nfs/dbraw/zinc/78/86/76/532788676.db2.gz NTVVODOVPDJBME-NEPJUHHUSA-N 1 0 395.091 2.460 20 0 GEADRO O=C(N[C@H]1CCCN(CC(F)(F)F)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412347643 532788826 /nfs/dbraw/zinc/78/88/26/532788826.db2.gz LONWNWIJDZKPLS-GJZGRUSLSA-N 1 0 379.492 2.347 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1Cl ZINC000269746777 532789583 /nfs/dbraw/zinc/78/95/83/532789583.db2.gz XEJMPQLNMKTWBZ-UHFFFAOYSA-N 1 0 381.325 2.427 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]([NH3+])[C@H]1C)c1ccc(Br)cc1 ZINC000457355791 532790978 /nfs/dbraw/zinc/79/09/78/532790978.db2.gz AKRSQRBXASNCEX-LYRGGWFBSA-N 1 0 382.302 2.355 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000269879790 532792123 /nfs/dbraw/zinc/79/21/23/532792123.db2.gz HYUUGKJKRAKMJC-QGZVFWFLSA-N 1 0 387.933 2.208 20 0 GEADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(-n2cnnn2)cc1 ZINC000287331318 532792194 /nfs/dbraw/zinc/79/21/94/532792194.db2.gz MLKFUCWLBVYLKB-LBPRGKRZSA-N 1 0 376.262 2.362 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458198756 532792476 /nfs/dbraw/zinc/79/24/76/532792476.db2.gz UJGXVGQRJUXBFJ-KGLIPLIRSA-N 1 0 396.329 2.416 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000287397902 532793466 /nfs/dbraw/zinc/79/34/66/532793466.db2.gz JSPURIHCVNRFNG-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO C[C@H]1CN(CCO)CCN1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000458241982 532793496 /nfs/dbraw/zinc/79/34/96/532793496.db2.gz AUFVCFHGBHRUMN-LRDDRELGSA-N 1 0 382.302 2.144 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412557477 532795176 /nfs/dbraw/zinc/79/51/76/532795176.db2.gz INPMNVBEGXNMDO-LLVKDONJSA-N 1 0 385.486 2.254 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)c1cc(F)cc(Cl)c1)N1CC[NH+](C)CC1 ZINC000270170037 532795304 /nfs/dbraw/zinc/79/53/04/532795304.db2.gz LAADKAUAVMUBHJ-MRXNPFEDSA-N 1 0 377.913 2.029 20 0 GEADRO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000411925771 532780386 /nfs/dbraw/zinc/78/03/86/532780386.db2.gz ZSIGGFRQMLBPCQ-NEPJUHHUSA-N 1 0 388.295 2.357 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000314379849 532780452 /nfs/dbraw/zinc/78/04/52/532780452.db2.gz TWIGXJLNCLBJLA-PWSUYJOCSA-N 1 0 377.304 2.171 20 0 GEADRO CCSCCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000287049046 532780918 /nfs/dbraw/zinc/78/09/18/532780918.db2.gz LNRVWBLEZWIQIU-HNNXBMFYSA-N 1 0 383.583 2.336 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000287859850 532811277 /nfs/dbraw/zinc/81/12/77/532811277.db2.gz FLMNDUHLBQLYFV-JTQLQIEISA-N 1 0 377.819 2.379 20 0 GEADRO C[N@H+](C[C@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000554934320 532806219 /nfs/dbraw/zinc/80/62/19/532806219.db2.gz HLBLTXLVCXQVMW-HNNXBMFYSA-N 1 0 386.323 2.206 20 0 GEADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000271274162 532806376 /nfs/dbraw/zinc/80/63/76/532806376.db2.gz ORPKLNATASVIQQ-CYBMUJFWSA-N 1 0 389.587 2.071 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000271510166 532807737 /nfs/dbraw/zinc/80/77/37/532807737.db2.gz NRFPWHFNNMFMDH-GOSISDBHSA-N 1 0 385.961 2.318 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000271525546 532807805 /nfs/dbraw/zinc/80/78/05/532807805.db2.gz PZGCOPWYSGEAIG-MRXNPFEDSA-N 1 0 385.961 2.176 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(F)cn1 ZINC000287787167 532809126 /nfs/dbraw/zinc/80/91/26/532809126.db2.gz SLLZQTVDYKGZLI-SNVBAGLBSA-N 1 0 381.420 2.144 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000287792663 532809157 /nfs/dbraw/zinc/80/91/57/532809157.db2.gz IYCCVSRFPCZTPX-TZMCWYRMSA-N 1 0 397.317 2.012 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c(Cl)n1 ZINC000271591601 532809763 /nfs/dbraw/zinc/80/97/63/532809763.db2.gz VMNIEKPCYPQUSE-LLVKDONJSA-N 1 0 382.873 2.163 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000271601406 532809787 /nfs/dbraw/zinc/80/97/87/532809787.db2.gz XRMZIFVLXLNXCD-LLVKDONJSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000556368690 532811115 /nfs/dbraw/zinc/81/11/15/532811115.db2.gz MHCZZMJYRFDDMJ-AWEZNQCLSA-N 1 0 396.329 2.256 20 0 GEADRO O=C(C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)NC(=O)NCc1cccs1 ZINC000551119922 532799726 /nfs/dbraw/zinc/79/97/26/532799726.db2.gz LCFGFYAARZSDLT-KBPBESRZSA-N 1 0 383.539 2.060 20 0 GEADRO COC(=O)c1cn(CC[NH2+][C@H]2CCCc3c(Br)cccc32)nn1 ZINC000551572617 532800702 /nfs/dbraw/zinc/80/07/02/532800702.db2.gz UBNIWQPJGBDCNR-AWEZNQCLSA-N 1 0 379.258 2.494 20 0 GEADRO CC[N@H+](Cc1cccc(Br)c1)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000270825542 532802648 /nfs/dbraw/zinc/80/26/48/532802648.db2.gz ZKVVGFHCJAHEIN-CYBMUJFWSA-N 1 0 396.329 2.383 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000551969936 532802931 /nfs/dbraw/zinc/80/29/31/532802931.db2.gz UCCQNXYFBPLKHQ-ZDUSSCGKSA-N 1 0 375.416 2.242 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C(=O)NCC(F)(F)F ZINC000271026017 532802953 /nfs/dbraw/zinc/80/29/53/532802953.db2.gz AHLJSJMGROEARW-BHYNMZESSA-N 1 0 377.794 2.268 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000287918942 532813093 /nfs/dbraw/zinc/81/30/93/532813093.db2.gz ITTVSAPQZUPREU-NSHDSACASA-N 1 0 393.285 2.392 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CC[C@H]21 ZINC000330159868 532815068 /nfs/dbraw/zinc/81/50/68/532815068.db2.gz RIIVRJJOFQMNKB-BXUZGUMPSA-N 1 0 377.432 2.273 20 0 GEADRO C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CC[N@H+](C)CC1 ZINC000272740166 532817962 /nfs/dbraw/zinc/81/79/62/532817962.db2.gz CQKHLECQTKYYBO-NSHDSACASA-N 1 0 376.400 2.360 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000288049233 532816115 /nfs/dbraw/zinc/81/61/15/532816115.db2.gz RZTZIMXEKKIYIF-UHFFFAOYSA-N 1 0 375.922 2.181 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(C)Cc1cc(Br)cs1)[N@H+](C)C1CC1 ZINC000288097822 532817075 /nfs/dbraw/zinc/81/70/75/532817075.db2.gz WSTRRHCWOLLMPX-SNVBAGLBSA-N 1 0 388.331 2.068 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000272710443 532817238 /nfs/dbraw/zinc/81/72/38/532817238.db2.gz VIJDHNMREVXILS-STQMWFEESA-N 1 0 386.539 2.466 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000288086961 532817255 /nfs/dbraw/zinc/81/72/55/532817255.db2.gz HQHQFGVXSJHDOO-QMMMGPOBSA-N 1 0 396.207 2.473 20 0 GEADRO CSc1nsc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000272811521 532818418 /nfs/dbraw/zinc/81/84/18/532818418.db2.gz SRVFJZRTBQOQMD-CYBMUJFWSA-N 1 0 379.511 2.148 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000414080401 532818708 /nfs/dbraw/zinc/81/87/08/532818708.db2.gz SZMCHUXRZGOYLK-KGLIPLIRSA-N 1 0 392.297 2.294 20 0 GEADRO COC(=O)c1cnc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)s1 ZINC000414124448 532819047 /nfs/dbraw/zinc/81/90/47/532819047.db2.gz CAULTVRRYDHFGU-NSHDSACASA-N 1 0 389.543 2.173 20 0 GEADRO C[NH+]1CCN(C[C@@H](O)COc2cc(F)c(Br)cc2Cl)CC1 ZINC000414124236 532819328 /nfs/dbraw/zinc/81/93/28/532819328.db2.gz KJBQXHAAAKCBKM-SNVBAGLBSA-N 1 0 381.673 2.229 20 0 GEADRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414098659 532819468 /nfs/dbraw/zinc/81/94/68/532819468.db2.gz QKJGTSVZYDVTBC-LLVKDONJSA-N 1 0 383.290 2.094 20 0 GEADRO Cc1cc(Cl)cc(Br)c1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000414139434 532819584 /nfs/dbraw/zinc/81/95/84/532819584.db2.gz IIOPPXGKTLMGOV-CYBMUJFWSA-N 1 0 377.710 2.398 20 0 GEADRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ncc(Br)s1 ZINC000414162961 532819953 /nfs/dbraw/zinc/81/99/53/532819953.db2.gz FHNCJENMCUCSBF-GFCCVEGCSA-N 1 0 390.347 2.438 20 0 GEADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414192726 532820021 /nfs/dbraw/zinc/82/00/21/532820021.db2.gz SWVUUNMMFWPUCB-ZFWWWQNUSA-N 1 0 395.297 2.374 20 0 GEADRO COCCC[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(Br)cc1 ZINC000414200180 532820081 /nfs/dbraw/zinc/82/00/81/532820081.db2.gz XJWKDFQVYUUBAP-CVEARBPZSA-N 1 0 383.290 2.159 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000330516533 532820657 /nfs/dbraw/zinc/82/06/57/532820657.db2.gz WPKMICCNBXPKSQ-ZDUSSCGKSA-N 1 0 391.331 2.147 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000330566124 532821242 /nfs/dbraw/zinc/82/12/42/532821242.db2.gz AONYZVVJIFACOC-STQMWFEESA-N 1 0 382.302 2.120 20 0 GEADRO Cn1ncc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1Br ZINC000273234650 532821240 /nfs/dbraw/zinc/82/12/40/532821240.db2.gz PFRFVIARFISWPX-UHFFFAOYSA-N 1 0 377.286 2.361 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000414263613 532821345 /nfs/dbraw/zinc/82/13/45/532821345.db2.gz KIABGKPJLMGDHV-MRXNPFEDSA-N 1 0 379.913 2.352 20 0 GEADRO CSc1c(F)cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1F ZINC000273261513 532821409 /nfs/dbraw/zinc/82/14/09/532821409.db2.gz HUAPWWDYNXRYNK-INIZCTEOSA-N 1 0 389.493 2.179 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)cc1Br ZINC000414350931 532821665 /nfs/dbraw/zinc/82/16/65/532821665.db2.gz MGWCXIQYJDAIEU-NSHDSACASA-N 1 0 396.289 2.279 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414371237 532822842 /nfs/dbraw/zinc/82/28/42/532822842.db2.gz WJMNRXVTCMFGFF-STQMWFEESA-N 1 0 390.347 2.059 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000330617631 532823014 /nfs/dbraw/zinc/82/30/14/532823014.db2.gz XEZOEXJQPUQALF-CABCVRRESA-N 1 0 391.331 2.278 20 0 GEADRO COCCC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCC1 ZINC000414376209 532823264 /nfs/dbraw/zinc/82/32/64/532823264.db2.gz HANXQRUAOUPNSL-UHFFFAOYSA-N 1 0 391.331 2.393 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1cnn(C)c1 ZINC000273407164 532823451 /nfs/dbraw/zinc/82/34/51/532823451.db2.gz RWWAUPOXZDFISC-JTQLQIEISA-N 1 0 384.221 2.314 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000273525596 532825779 /nfs/dbraw/zinc/82/57/79/532825779.db2.gz PIAGQWWNQIUKAV-GFCCVEGCSA-N 1 0 388.917 2.477 20 0 GEADRO CC[N@@H+]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)[C@@H](C)C1 ZINC000288408325 532826438 /nfs/dbraw/zinc/82/64/38/532826438.db2.gz LNKNNUSTUXTTDD-NSHDSACASA-N 1 0 388.331 2.135 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC2CCN(CC(F)(F)F)CC2)cc1 ZINC000330813111 532827490 /nfs/dbraw/zinc/82/74/90/532827490.db2.gz KFGPHBATUJPPGI-UHFFFAOYSA-N 1 0 379.448 2.053 20 0 GEADRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000414463460 532828991 /nfs/dbraw/zinc/82/89/91/532828991.db2.gz RSTRYQLETXOBSU-UHFFFAOYSA-N 1 0 382.507 2.261 20 0 GEADRO COc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c(Br)c1O ZINC000414558938 532831633 /nfs/dbraw/zinc/83/16/33/532831633.db2.gz TVVGVOKQSOQGQC-UHFFFAOYSA-N 1 0 392.315 2.468 20 0 GEADRO COc1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1O ZINC000273709853 532832165 /nfs/dbraw/zinc/83/21/65/532832165.db2.gz FWXZJRIMIJZZBH-CYBMUJFWSA-N 1 0 385.302 2.317 20 0 GEADRO CC(C)S(=O)(=O)CCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000288588783 532832335 /nfs/dbraw/zinc/83/23/35/532832335.db2.gz LRMXGWCHYWZPIO-UHFFFAOYSA-N 1 0 387.571 2.083 20 0 GEADRO Cn1ncc(Br)c1CNCc1ccncc1OCCC[NH+](C)C ZINC000288592845 532832720 /nfs/dbraw/zinc/83/27/20/532832720.db2.gz OVLWHDIACHPBFY-UHFFFAOYSA-N 1 0 382.306 2.198 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCS1 ZINC000414910120 532835621 /nfs/dbraw/zinc/83/56/21/532835621.db2.gz RUJWQYCIWLNVPR-CYBMUJFWSA-N 1 0 375.416 2.457 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ncc1F ZINC000273868678 532836081 /nfs/dbraw/zinc/83/60/81/532836081.db2.gz NVEVZYQTDWKFSY-ZJUUUORDSA-N 1 0 380.283 2.058 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414926348 532836319 /nfs/dbraw/zinc/83/63/19/532836319.db2.gz KAAOWYBHJKURAN-CYBMUJFWSA-N 1 0 383.290 2.111 20 0 GEADRO CCOc1c(Br)cc(CN(CC[NH3+])CCO)cc1Br ZINC000414938026 532836409 /nfs/dbraw/zinc/83/64/09/532836409.db2.gz VVHYVHHOHVDZIU-UHFFFAOYSA-N 1 0 396.123 2.363 20 0 GEADRO Oc1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1Br ZINC000414967855 532836548 /nfs/dbraw/zinc/83/65/48/532836548.db2.gz HVEPDINWTDHNNZ-GFCCVEGCSA-N 1 0 382.224 2.080 20 0 GEADRO CCC[NH2+]CCNCc1cc(I)c(OC)c(OC)c1 ZINC000414874860 532835203 /nfs/dbraw/zinc/83/52/03/532835203.db2.gz SWEZOTYNQYCKTH-UHFFFAOYSA-N 1 0 378.254 2.398 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000331194859 532835542 /nfs/dbraw/zinc/83/55/42/532835542.db2.gz RLKJSTQAZHEDKE-OLZOCXBDSA-N 1 0 394.324 2.382 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000273881929 532836855 /nfs/dbraw/zinc/83/68/55/532836855.db2.gz SRIIEFXREPSMGZ-UHFFFAOYSA-N 1 0 375.803 2.480 20 0 GEADRO FC1(F)CC[NH2+]C[C@@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000415011255 532836925 /nfs/dbraw/zinc/83/69/25/532836925.db2.gz ZVCVVOMZHDLMPW-HNNXBMFYSA-N 1 0 390.272 2.373 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccc(Br)cn1 ZINC000288749504 532837110 /nfs/dbraw/zinc/83/71/10/532837110.db2.gz QMCQZRXDPMWPFL-UHFFFAOYSA-N 1 0 393.285 2.500 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)Nc1ccccc1Br ZINC000273950519 532837594 /nfs/dbraw/zinc/83/75/94/532837594.db2.gz HKFCOLVNQMCFIM-ZDUSSCGKSA-N 1 0 395.301 2.314 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415113295 532837612 /nfs/dbraw/zinc/83/76/12/532837612.db2.gz DXMXWFNIBVNQIW-SSDOTTSWSA-N 1 0 381.164 2.395 20 0 GEADRO CC[NH+]1C[C@@H](C)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)[C@H](C)C1 ZINC000331325393 532837681 /nfs/dbraw/zinc/83/76/81/532837681.db2.gz GDKXQZHPRYUOCV-CHWSQXEVSA-N 1 0 387.933 2.097 20 0 GEADRO COc1sc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000415125024 532838082 /nfs/dbraw/zinc/83/80/82/532838082.db2.gz KYFCTSUXFMRXSB-NSHDSACASA-N 1 0 386.319 2.407 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415129280 532838379 /nfs/dbraw/zinc/83/83/79/532838379.db2.gz UGDAUMMFBYVCEN-AWEZNQCLSA-N 1 0 397.317 2.359 20 0 GEADRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)C(=O)NC1CC[NH2+]CC1 ZINC000415264484 532839737 /nfs/dbraw/zinc/83/97/37/532839737.db2.gz CDGGGRYHQIFJMI-UHFFFAOYSA-N 1 0 379.766 2.088 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000415269275 532839815 /nfs/dbraw/zinc/83/98/15/532839815.db2.gz KYQUNXGIVRYLSF-SECBINFHSA-N 1 0 379.766 2.169 20 0 GEADRO COCC[NH2+]CCNC(=O)Nc1cc(I)ccc1Cl ZINC000415268331 532839917 /nfs/dbraw/zinc/83/99/17/532839917.db2.gz 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391.468 2.245 20 0 GEADRO Cc1nccn1CCCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000359977782 206274664 /nfs/dbraw/zinc/27/46/64/206274664.db2.gz MDLMYBPQKTZLEG-MJGOQNOKSA-N 1 0 387.532 2.040 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)cc(F)c21)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000359975244 206276373 /nfs/dbraw/zinc/27/63/73/206276373.db2.gz QFYNKFJJIMOBRO-BLLLJJGKSA-N 1 0 381.423 2.198 20 0 GEADRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1S(=O)(=O)NC1CC1 ZINC000359974123 206275264 /nfs/dbraw/zinc/27/52/64/206275264.db2.gz MZSVVTKKTHKDNE-DLBZAZTESA-N 1 0 392.525 2.184 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)COCC2)[NH+]1CCCCCC1 ZINC000359996442 206277455 /nfs/dbraw/zinc/27/74/55/206277455.db2.gz GZVXWAZRWLZTTN-IBGZPJMESA-N 1 0 388.512 2.110 20 0 GEADRO Cn1ccc(N2CC[C@H](N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)n1 ZINC000359998316 206278624 /nfs/dbraw/zinc/27/86/24/206278624.db2.gz LQGKXGZKUKRGRJ-HAGHYFMRSA-N 1 0 379.508 2.026 20 0 GEADRO 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COc1cc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000415485276 532847105 /nfs/dbraw/zinc/84/71/05/532847105.db2.gz JLQRQYBECXFMEP-CYBMUJFWSA-N 1 0 386.290 2.228 20 0 GEADRO [NH3+]CC[C@H](NC(=O)Nc1cc(Br)cnc1-n1cccn1)C(F)F ZINC000415478689 532847140 /nfs/dbraw/zinc/84/71/40/532847140.db2.gz GOCVLUXKLYLRPY-VIFPVBQESA-N 1 0 389.204 2.134 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000415483624 532847143 /nfs/dbraw/zinc/84/71/43/532847143.db2.gz YYGJGILGLJNNEY-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000415491052 532847275 /nfs/dbraw/zinc/84/72/75/532847275.db2.gz DBPBFUOKJPEHEQ-UHFFFAOYSA-N 1 0 398.301 2.052 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415500798 532847799 /nfs/dbraw/zinc/84/77/99/532847799.db2.gz NNELUVLHLSOHAS-SNVBAGLBSA-N 1 0 396.314 3.041 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415500797 532847819 /nfs/dbraw/zinc/84/78/19/532847819.db2.gz NNELUVLHLSOHAS-JTQLQIEISA-N 1 0 396.314 3.041 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415504313 532847945 /nfs/dbraw/zinc/84/79/45/532847945.db2.gz XTBJVDOWROSNIJ-CYBMUJFWSA-N 1 0 391.269 2.146 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000274360679 532848308 /nfs/dbraw/zinc/84/83/08/532848308.db2.gz WFEVCCDDLSEGLU-CQSZACIVSA-N 1 0 395.301 2.450 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000415516796 532848423 /nfs/dbraw/zinc/84/84/23/532848423.db2.gz GHPWPUQDGWFJEE-UHFFFAOYSA-N 1 0 376.682 2.465 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415516128 532848470 /nfs/dbraw/zinc/84/84/70/532848470.db2.gz FBDSKWWCSHXSHB-UHFFFAOYSA-N 1 0 379.258 2.052 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)ccc1OC)C1CC[NH2+]CC1 ZINC000415505701 532848487 /nfs/dbraw/zinc/84/84/87/532848487.db2.gz JPBBVTBVGXSRDJ-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO Cc1cc(C)c(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000415528783 532848804 /nfs/dbraw/zinc/84/88/04/532848804.db2.gz MSDAEIMEGXDTKZ-CYBMUJFWSA-N 1 0 397.317 2.385 20 0 GEADRO O=C(NCC1C[NH2+]C1)Nc1nc2ccc(I)cc2s1 ZINC000415529768 532848886 /nfs/dbraw/zinc/84/88/86/532848886.db2.gz QPFCUOIKSRORKQ-UHFFFAOYSA-N 1 0 388.234 2.242 20 0 GEADRO Cc1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(C)cc1Br ZINC000332091678 532849131 /nfs/dbraw/zinc/84/91/31/532849131.db2.gz VRATWORDQYSZJC-GOEBONIOSA-N 1 0 377.286 2.366 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415533548 532849341 /nfs/dbraw/zinc/84/93/41/532849341.db2.gz BENLVDDUAKHIBS-RKDXNWHRSA-N 1 0 379.766 2.373 20 0 GEADRO O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)C1(c2ccc(Br)cc2)CCC1 ZINC000289218379 532849823 /nfs/dbraw/zinc/84/98/23/532849823.db2.gz LAWUXXWOWZATLC-KRWDZBQOSA-N 1 0 392.341 2.377 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415560791 532849875 /nfs/dbraw/zinc/84/98/75/532849875.db2.gz VNMZVPJNOPKPFI-SSDOTTSWSA-N 1 0 382.180 2.260 20 0 GEADRO C[C@]1(CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCC[NH2+]C1 ZINC000415572180 532850737 /nfs/dbraw/zinc/85/07/37/532850737.db2.gz NPQKXKBKNFDPTB-HNNXBMFYSA-N 1 0 390.228 2.172 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCC[NH2+]C1 ZINC000415572182 532850773 /nfs/dbraw/zinc/85/07/73/532850773.db2.gz NPQKXKBKNFDPTB-OAHLLOKOSA-N 1 0 390.228 2.172 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415571272 532850382 /nfs/dbraw/zinc/85/03/82/532850382.db2.gz RGVICGUMYIEQIG-WDEREUQCSA-N 1 0 391.269 2.145 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415568147 532850398 /nfs/dbraw/zinc/85/03/98/532850398.db2.gz KDXQLKWZEHSRCC-GHMZBOCLSA-N 1 0 391.269 2.132 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415581589 532851048 /nfs/dbraw/zinc/85/10/48/532851048.db2.gz NNYUUCKYZYQJFQ-KRWDZBQOSA-N 1 0 382.302 2.456 20 0 GEADRO CS(=O)(=O)c1ccc(OCCC[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000274476203 532851140 /nfs/dbraw/zinc/85/11/40/532851140.db2.gz LHYLZAWTXJLSDW-UHFFFAOYSA-N 1 0 385.551 2.457 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415620219 532851200 /nfs/dbraw/zinc/85/12/00/532851200.db2.gz IKBYREUZRZQYIO-BXKDBHETSA-N 1 0 375.416 2.236 20 0 GEADRO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCCC[C@H](SC)C2)ccc1C ZINC000332281031 532851349 /nfs/dbraw/zinc/85/13/49/532851349.db2.gz DPWSNKYJBHZFKV-HNNXBMFYSA-N 1 0 385.555 2.059 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415641081 532851863 /nfs/dbraw/zinc/85/18/63/532851863.db2.gz XJVLRFXLVUPJJW-VIFPVBQESA-N 1 0 384.303 3.072 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000332296226 532851974 /nfs/dbraw/zinc/85/19/74/532851974.db2.gz FIDKXRIFPNXGBQ-GLQYFDAESA-N 1 0 380.286 2.282 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000332298134 532852028 /nfs/dbraw/zinc/85/20/28/532852028.db2.gz KPZMDZJLQXGHAF-QWHCGFSZSA-N 1 0 380.286 2.072 20 0 GEADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)C(=O)N[C@@H](C)C[NH3+])c1C ZINC000415640897 532851737 /nfs/dbraw/zinc/85/17/37/532851737.db2.gz JSRXQLLZASFSNW-QMMMGPOBSA-N 1 0 384.267 2.198 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415648754 532852213 /nfs/dbraw/zinc/85/22/13/532852213.db2.gz PBPUDUPDUMBEAS-MNOVXSKESA-N 1 0 391.269 2.322 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[NH2+]1 ZINC000415661915 532852706 /nfs/dbraw/zinc/85/27/06/532852706.db2.gz PKVZGHHSTMVCAY-SFYZADRCSA-N 1 0 392.656 2.437 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415676479 532853021 /nfs/dbraw/zinc/85/30/21/532853021.db2.gz MINFYLAXXKZXJO-DGCLKSJQSA-N 1 0 398.301 2.432 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000415674279 532853141 /nfs/dbraw/zinc/85/31/41/532853141.db2.gz KAEPKGXOFAKWDN-ZDUSSCGKSA-N 1 0 386.265 2.421 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000415677342 532853156 /nfs/dbraw/zinc/85/31/56/532853156.db2.gz OJWMDHJJOYATPT-SNVBAGLBSA-N 1 0 378.420 2.081 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415666360 532853196 /nfs/dbraw/zinc/85/31/96/532853196.db2.gz WDJQBWIWXRSLOB-PWSUYJOCSA-N 1 0 384.274 2.043 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415683040 532853575 /nfs/dbraw/zinc/85/35/75/532853575.db2.gz WBXHQZFBRWKVGM-LBPRGKRZSA-N 1 0 398.301 2.374 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415678945 532853626 /nfs/dbraw/zinc/85/36/26/532853626.db2.gz OPVMRZFSHPAAPW-GWCFXTLKSA-N 1 0 391.269 2.193 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000415692156 532853774 /nfs/dbraw/zinc/85/37/74/532853774.db2.gz RBWMMTNNHVYIFQ-LBPRGKRZSA-N 1 0 398.301 2.374 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(F)c(Br)c3)CC2)C1=O ZINC000332383569 532853943 /nfs/dbraw/zinc/85/39/43/532853943.db2.gz HXHPLPKCJWGNHG-HNNXBMFYSA-N 1 0 398.276 2.013 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415697517 532854001 /nfs/dbraw/zinc/85/40/01/532854001.db2.gz WODZVWKBJNFTGU-MRXNPFEDSA-N 1 0 375.803 2.120 20 0 GEADRO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000332387690 532854029 /nfs/dbraw/zinc/85/40/29/532854029.db2.gz WFCZLUBGZCXQBU-OAHLLOKOSA-N 1 0 385.555 2.093 20 0 GEADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415739509 532855052 /nfs/dbraw/zinc/85/50/52/532855052.db2.gz GDRRDNHTXGZOJQ-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO Cc1cc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(F)cc1Br ZINC000415740283 532855115 /nfs/dbraw/zinc/85/51/15/532855115.db2.gz JCCYIBNHYJPLHZ-LBPRGKRZSA-N 1 0 385.281 2.408 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1Br ZINC000415736237 532854954 /nfs/dbraw/zinc/85/49/54/532854954.db2.gz AFPBTPBFPVQRPM-DZGCQCFKSA-N 1 0 380.286 2.200 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000415736626 532855177 /nfs/dbraw/zinc/85/51/77/532855177.db2.gz AXLGCDIOIYSBFG-NSHDSACASA-N 1 0 386.290 2.420 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)nc1C ZINC000289471365 532855520 /nfs/dbraw/zinc/85/55/20/532855520.db2.gz HLLIQARJWUWNHL-UHFFFAOYSA-N 1 0 375.922 2.165 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000415743185 532855664 /nfs/dbraw/zinc/85/56/64/532855664.db2.gz NTGKOIUQMGGFFF-SMDDNHRTSA-N 1 0 386.279 2.445 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415745970 532855669 /nfs/dbraw/zinc/85/56/69/532855669.db2.gz OKRKLUCBJVBCJD-HZMBPMFUSA-N 1 0 376.254 2.489 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415763016 532856398 /nfs/dbraw/zinc/85/63/98/532856398.db2.gz WYIGAICSZUQSIV-LBPRGKRZSA-N 1 0 378.274 2.756 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cc1Br ZINC000415788771 532857218 /nfs/dbraw/zinc/85/72/18/532857218.db2.gz MWXKXFSAPVQXNO-SNVBAGLBSA-N 1 0 378.217 2.103 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F)[C@H](C)[NH3+] ZINC000415775635 532857041 /nfs/dbraw/zinc/85/70/41/532857041.db2.gz ACRANWHWWYYIKT-NKWVEPMBSA-N 1 0 382.180 2.258 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cccc(Br)c1Cl)C(F)F ZINC000415795998 532857812 /nfs/dbraw/zinc/85/78/12/532857812.db2.gz YMGGZJFZKMANFE-QMMMGPOBSA-N 1 0 384.608 2.140 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1F ZINC000415803746 532858143 /nfs/dbraw/zinc/85/81/43/532858143.db2.gz HLKNVNLNBDQAEQ-QWRGUYRKSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415817668 532858865 /nfs/dbraw/zinc/85/88/65/532858865.db2.gz YYVJAGHMAHFOAA-RQJHMYQMSA-N 1 0 398.179 2.138 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000415821540 532858620 /nfs/dbraw/zinc/85/86/20/532858620.db2.gz HJFZQZKDHQGBLD-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO CCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415832629 532859407 /nfs/dbraw/zinc/85/94/07/532859407.db2.gz IXDRGTLIAWKGHY-LBPRGKRZSA-N 1 0 381.782 2.463 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)C[C@H]1[NH3+] ZINC000415831485 532859479 /nfs/dbraw/zinc/85/94/79/532859479.db2.gz FRUPFMZMCGRKQH-GMSGAONNSA-N 1 0 394.191 2.212 20 0 GEADRO COCCOCCOCCC[NH2+]Cc1nc2ccccn2c1Br ZINC000289566516 532859251 /nfs/dbraw/zinc/85/92/51/532859251.db2.gz HDZAEZLNQIWRAZ-UHFFFAOYSA-N 1 0 386.290 2.256 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415831147 532859293 /nfs/dbraw/zinc/85/92/93/532859293.db2.gz HFRCQCFURVWHTF-SNVBAGLBSA-N 1 0 382.180 2.092 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C[C@H]1[NH3+] ZINC000415840066 532859601 /nfs/dbraw/zinc/85/96/01/532859601.db2.gz MZCKALHOKODKRQ-LDYMZIIASA-N 1 0 379.766 2.025 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C1CCCC1 ZINC000415837477 532859665 /nfs/dbraw/zinc/85/96/65/532859665.db2.gz KSAKDEUJBPTNBR-GFCCVEGCSA-N 1 0 390.228 2.300 20 0 GEADRO CCCOc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1Cl ZINC000415835158 532859813 /nfs/dbraw/zinc/85/98/13/532859813.db2.gz LIPMTLUHSJWIML-LBPRGKRZSA-N 1 0 381.782 2.463 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415839169 532859864 /nfs/dbraw/zinc/85/98/64/532859864.db2.gz OLNDVGDIZXQDCC-QWRGUYRKSA-N 1 0 391.269 2.179 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415842586 532860338 /nfs/dbraw/zinc/86/03/38/532860338.db2.gz XGFUUILLNYCESQ-PSASIEDQSA-N 1 0 379.766 2.421 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000415845434 532860105 /nfs/dbraw/zinc/86/01/05/532860105.db2.gz RQQQTNJVEFBESI-ZDUSSCGKSA-N 1 0 384.274 2.030 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415846495 532860218 /nfs/dbraw/zinc/86/02/18/532860218.db2.gz VTOWBZXCAKEKEC-CMPLNLGQSA-N 1 0 384.274 2.030 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc1Br ZINC000415845780 532860237 /nfs/dbraw/zinc/86/02/37/532860237.db2.gz VIMALOJVAMUQAC-JTQLQIEISA-N 1 0 382.180 2.092 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415851075 532860636 /nfs/dbraw/zinc/86/06/36/532860636.db2.gz OSAXAKHLDJLQGM-ONGXEEELSA-N 1 0 386.265 2.278 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415855717 532860741 /nfs/dbraw/zinc/86/07/41/532860741.db2.gz YVDRKSPKHXBNJF-YPMHNXCESA-N 1 0 382.302 2.393 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415859774 532861005 /nfs/dbraw/zinc/86/10/05/532861005.db2.gz NTTZWLZMFLBZAI-UHFFFAOYSA-N 1 0 392.656 2.438 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415856210 532861008 /nfs/dbraw/zinc/86/10/08/532861008.db2.gz FAPQDLLRMJPKPG-UHFFFAOYSA-N 1 0 380.286 2.135 20 0 GEADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000289631379 532861031 /nfs/dbraw/zinc/86/10/31/532861031.db2.gz XBKHCYWUFDZXQW-NSHDSACASA-N 1 0 380.341 2.431 20 0 GEADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415866227 532860950 /nfs/dbraw/zinc/86/09/50/532860950.db2.gz BTKDGSYEQXMFPJ-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415869020 532860956 /nfs/dbraw/zinc/86/09/56/532860956.db2.gz ZGQUAPIKPNFHON-ZDUSSCGKSA-N 1 0 398.301 2.087 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415858200 532861113 /nfs/dbraw/zinc/86/11/13/532861113.db2.gz SKDGJGMIFRKBAN-CHWSQXEVSA-N 1 0 380.286 2.236 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000415867333 532861170 /nfs/dbraw/zinc/86/11/70/532861170.db2.gz GWDLXJZVSCIWIB-IJLUTSLNSA-N 1 0 398.276 2.339 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415864622 532861203 /nfs/dbraw/zinc/86/12/03/532861203.db2.gz AASPEONQMOEKPL-ZJUUUORDSA-N 1 0 386.677 2.109 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415864561 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O=C(c1cnn2cc(Br)cnc12)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000333790375 532873589 /nfs/dbraw/zinc/87/35/89/532873589.db2.gz GDTUJEIROFPDJL-SMDDNHRTSA-N 1 0 378.274 2.096 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCc2c(Br)ccc(F)c2C1 ZINC000333859940 532874073 /nfs/dbraw/zinc/87/40/73/532874073.db2.gz RUGIWUFDJWSRIZ-NSHDSACASA-N 1 0 386.265 2.034 20 0 GEADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000333849785 532874129 /nfs/dbraw/zinc/87/41/29/532874129.db2.gz WZGPNWLSGSUZKY-CTYIDZIISA-N 1 0 380.286 2.079 20 0 GEADRO Cc1cccc(Cl)c1S(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000416382872 532874141 /nfs/dbraw/zinc/87/41/41/532874141.db2.gz FLUSNUXFYAMATG-MRXNPFEDSA-N 1 0 385.961 2.439 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1CN(C)CCCN(C)CC[NH+](C)C ZINC000290164500 532874211 /nfs/dbraw/zinc/87/42/11/532874211.db2.gz MFKAAGJEJFROOC-UHFFFAOYSA-N 1 0 389.993 2.449 20 0 GEADRO CCOC(=O)CSc1cncc(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)n1 ZINC000275397346 532875331 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C[N@H+](CCCO)C1CCN(Cc2cn3ccc(Br)cc3n2)CC1 ZINC000290341778 532878355 /nfs/dbraw/zinc/87/83/55/532878355.db2.gz DQWNSESUDFMSPH-UHFFFAOYSA-N 1 0 381.318 2.375 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)Cc1nccn1C ZINC000275578447 532879244 /nfs/dbraw/zinc/87/92/44/532879244.db2.gz DEJZHRANMNVOIW-UHFFFAOYSA-N 1 0 395.257 2.097 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275578687 532879372 /nfs/dbraw/zinc/87/93/72/532879372.db2.gz GGEFFVRCKRMVEI-UHFFFAOYSA-N 1 0 398.301 2.135 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417264156 532879370 /nfs/dbraw/zinc/87/93/70/532879370.db2.gz RSQBPYOQJNHRER-UKRRQHHQSA-N 1 0 381.318 2.408 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417259247 532879435 /nfs/dbraw/zinc/87/94/35/532879435.db2.gz GQBDYAQAAIOJHU-ZENOOKHLSA-N 1 0 381.318 2.407 20 0 GEADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000417260026 532879513 /nfs/dbraw/zinc/87/95/13/532879513.db2.gz IDSARHITCZIHOY-UKRRQHHQSA-N 1 0 381.318 2.327 20 0 GEADRO CN(C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000419529944 532882066 /nfs/dbraw/zinc/88/20/66/532882066.db2.gz YEWKESFAYXYODY-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2nnc(C(C)C)s2)C1 ZINC000419531980 532882362 /nfs/dbraw/zinc/88/23/62/532882362.db2.gz MXEUXNUQCPIUHS-CQSZACIVSA-N 1 0 386.587 2.368 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Br)ncc2Cl)CC1 ZINC000275736614 532882551 /nfs/dbraw/zinc/88/25/51/532882551.db2.gz SXFADMCMEYHFBP-UHFFFAOYSA-N 1 0 390.709 2.463 20 0 GEADRO Brc1ccn2cc(CN3CC[NH+](C4CCOCC4)CC3)nc2c1 ZINC000290519816 532883174 /nfs/dbraw/zinc/88/31/74/532883174.db2.gz UNPDKCVVAJSEKY-UHFFFAOYSA-N 1 0 379.302 2.393 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419886628 532883190 /nfs/dbraw/zinc/88/31/90/532883190.db2.gz DJRHBGIAVHXGIS-GJZGRUSLSA-N 1 0 382.302 2.184 20 0 GEADRO [NH3+]CC[C@H](NS(=O)(=O)c1cccc(Br)c1Cl)C(F)F ZINC000420459654 532883439 /nfs/dbraw/zinc/88/34/39/532883439.db2.gz KKKPPZQPSWUDFZ-ZETCQYMHSA-N 1 0 377.638 2.363 20 0 GEADRO C[NH+](C)C[C@H]1CN(Cc2c(Br)cncc2Br)CCO1 ZINC000290402968 532880196 /nfs/dbraw/zinc/88/01/96/532880196.db2.gz KOIKNJGMRXPNAT-JTQLQIEISA-N 1 0 393.123 2.369 20 0 GEADRO C[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)Sc1ccc(Br)cc1 ZINC000417579255 532880468 /nfs/dbraw/zinc/88/04/68/532880468.db2.gz PFUJDERQNFFENK-YPMHNXCESA-N 1 0 388.331 2.299 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418417974 532880774 /nfs/dbraw/zinc/88/07/74/532880774.db2.gz XCEYIQIMCKVHNR-WFASDCNBSA-N 1 0 390.297 2.022 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418417972 532880851 /nfs/dbraw/zinc/88/08/51/532880851.db2.gz XCEYIQIMCKVHNR-IUODEOHRSA-N 1 0 390.297 2.022 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NC[C@@H]([NH3+])C(C)C)cc1Br ZINC000418419559 532880865 /nfs/dbraw/zinc/88/08/65/532880865.db2.gz ZDNFSPBYHMDPLL-GOEBONIOSA-N 1 0 386.334 2.191 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418447105 532881257 /nfs/dbraw/zinc/88/12/57/532881257.db2.gz OXXSDSOAABSOEG-RISCZKNCSA-N 1 0 376.270 2.438 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000420460195 532883878 /nfs/dbraw/zinc/88/38/78/532883878.db2.gz MNKBEJUKFVLNFH-QMTHXVAHSA-N 1 0 377.304 2.063 20 0 GEADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000275936652 532886105 /nfs/dbraw/zinc/88/61/05/532886105.db2.gz WWORSAZKEOIQTI-UHFFFAOYSA-N 1 0 381.782 2.040 20 0 GEADRO CS(=O)(=O)C1(c2noc(-c3ccc(C[NH+]4CCSCC4)cc3)n2)CC1 ZINC000350584082 532886317 /nfs/dbraw/zinc/88/63/17/532886317.db2.gz OMOOYCZWYFADKX-UHFFFAOYSA-N 1 0 379.507 2.319 20 0 GEADRO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000420953250 532887483 /nfs/dbraw/zinc/88/74/83/532887483.db2.gz ZFDSLBHWOATQDL-GJZGRUSLSA-N 1 0 399.329 2.237 20 0 GEADRO O[C@H](C[NH2+]Cc1c(Br)cncc1Br)C1CCOCC1 ZINC000290807561 532889840 /nfs/dbraw/zinc/88/98/40/532889840.db2.gz FVCASKYIUCODTB-CYBMUJFWSA-N 1 0 394.107 2.484 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000276065866 532888809 /nfs/dbraw/zinc/88/88/09/532888809.db2.gz QLSALRMUSYAOCY-AWEZNQCLSA-N 1 0 386.539 2.196 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421168253 532889357 /nfs/dbraw/zinc/88/93/57/532889357.db2.gz AGEFFEKVTDIERT-CYBMUJFWSA-N 1 0 394.313 2.329 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421168254 532889384 /nfs/dbraw/zinc/88/93/84/532889384.db2.gz AGEFFEKVTDIERT-ZDUSSCGKSA-N 1 0 394.313 2.329 20 0 GEADRO COCCOCCOCC[N@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000276232651 532891931 /nfs/dbraw/zinc/89/19/31/532891931.db2.gz KUUQKKKXHPAWKG-HNNXBMFYSA-N 1 0 396.311 2.345 20 0 GEADRO CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000361190312 532892254 /nfs/dbraw/zinc/89/22/54/532892254.db2.gz VTTCECMMTLTZRY-CQSZACIVSA-N 1 0 385.555 2.139 20 0 GEADRO CC(C)(NC(=O)c1cn(CCCC[NH3+])nn1)c1ccc(Br)cc1 ZINC000423033924 532892588 /nfs/dbraw/zinc/89/25/88/532892588.db2.gz PELNCXHEOXKTHB-UHFFFAOYSA-N 1 0 380.290 2.445 20 0 GEADRO [NH3+]CCCn1cc(C(=O)NC2(c3cccc(Br)c3)CCC2)nn1 ZINC000423059311 532892634 /nfs/dbraw/zinc/89/26/34/532892634.db2.gz LOWJBCVLOOHBMN-UHFFFAOYSA-N 1 0 378.274 2.199 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2Br)C1 ZINC000421321380 532890389 /nfs/dbraw/zinc/89/03/89/532890389.db2.gz DNOFCYOOCCSDPB-AWEZNQCLSA-N 1 0 382.302 2.006 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276187924 532890593 /nfs/dbraw/zinc/89/05/93/532890593.db2.gz WRZKESYMKIQJFL-UHFFFAOYSA-N 1 0 382.507 2.117 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N2CCc3sccc3[C@H]2c2cccs2)CC[NH2+]1 ZINC000423043543 532893062 /nfs/dbraw/zinc/89/30/62/532893062.db2.gz OZGHUTWVTUPVAO-LRDDRELGSA-N 1 0 375.519 2.104 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423095614 532893431 /nfs/dbraw/zinc/89/34/31/532893431.db2.gz FSXJBWGDOHQJAJ-UHFFFAOYSA-N 1 0 384.318 2.241 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423086885 532893616 /nfs/dbraw/zinc/89/36/16/532893616.db2.gz MVGRGPFKGZCUJX-JKSUJKDBSA-N 1 0 393.285 2.018 20 0 GEADRO Brc1cccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3CNCCO3)C2)c1 ZINC000423086599 532893730 /nfs/dbraw/zinc/89/37/30/532893730.db2.gz MHFAUFQXZVJSGW-RYQLBKOJSA-N 1 0 380.330 2.384 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000423103736 532893969 /nfs/dbraw/zinc/89/39/69/532893969.db2.gz GLMRMLDALJBDCY-UHOFOFEASA-N 1 0 394.313 2.308 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000423105598 532894092 /nfs/dbraw/zinc/89/40/92/532894092.db2.gz QXFBKRISRCIPSG-KBPBESRZSA-N 1 0 396.329 2.395 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000423102756 532894201 /nfs/dbraw/zinc/89/42/01/532894201.db2.gz OTCWUIZEMZJUQZ-OAHLLOKOSA-N 1 0 396.329 2.256 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)C[C@H]21 ZINC000361909199 532894197 /nfs/dbraw/zinc/89/41/97/532894197.db2.gz SNQUUGXMEVJSDM-XJKSGUPXSA-N 1 0 394.313 2.122 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000423101912 532894266 /nfs/dbraw/zinc/89/42/66/532894266.db2.gz DPPHCBUBVLOKSH-MAUKXSAKSA-N 1 0 394.313 2.310 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423103363 532894273 /nfs/dbraw/zinc/89/42/73/532894273.db2.gz PEOYCNRZOBKKCJ-ZDUSSCGKSA-N 1 0 382.302 2.006 20 0 GEADRO C[C@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000424018693 532894708 /nfs/dbraw/zinc/89/47/08/532894708.db2.gz QNOQIFIRKQBANH-QWHCGFSZSA-N 1 0 397.317 2.404 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C[C@@H]1C[NH3+] ZINC000424029233 532894798 /nfs/dbraw/zinc/89/47/98/532894798.db2.gz ZCJLNFVBNRZDDO-MCIONIFRSA-N 1 0 394.313 2.245 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1Br ZINC000424014487 532894805 /nfs/dbraw/zinc/89/48/05/532894805.db2.gz VDDUSCZBTPJCBA-DOMZBBRYSA-N 1 0 398.301 2.217 20 0 GEADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000276286836 532892704 /nfs/dbraw/zinc/89/27/04/532892704.db2.gz UYGWIKPPBCSTLM-HUUCEWRRSA-N 1 0 385.555 2.235 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000423071647 532892762 /nfs/dbraw/zinc/89/27/62/532892762.db2.gz GBGPRXKNOUQUJZ-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000276286840 532892919 /nfs/dbraw/zinc/89/29/19/532892919.db2.gz UYGWIKPPBCSTLM-LSDHHAIUSA-N 1 0 385.555 2.235 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@H]1c1ccccc1F ZINC000424041482 532895178 /nfs/dbraw/zinc/89/51/78/532895178.db2.gz UDXRBMUFRWWGDQ-WCQYABFASA-N 1 0 399.207 2.325 20 0 GEADRO Cc1sc2ncnc(SCCC(=O)N3CCC(O)(C[NH3+])CC3)c2c1C ZINC000424062675 532895228 /nfs/dbraw/zinc/89/52/28/532895228.db2.gz SJFCBJPRIQCWAN-UHFFFAOYSA-N 1 0 380.539 2.103 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 ZINC000362313914 532895442 /nfs/dbraw/zinc/89/54/42/532895442.db2.gz ALGLSUYLOMDPDQ-KBPBESRZSA-N 1 0 379.306 2.330 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424657066 532896759 /nfs/dbraw/zinc/89/67/59/532896759.db2.gz ZDMKJGGMAKVHNL-UHFFFAOYSA-N 1 0 384.274 2.169 20 0 GEADRO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363219631 532897693 /nfs/dbraw/zinc/89/76/93/532897693.db2.gz UGXHGGSLNFKCDU-HNNXBMFYSA-N 1 0 386.323 2.059 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000291303530 532899889 /nfs/dbraw/zinc/89/98/89/532899889.db2.gz KRLOOZWRMWWVCL-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO CCOC(=O)C1(NC(=O)Cc2ccc(Br)s2)CC[NH+](C)CC1 ZINC000363685305 532900077 /nfs/dbraw/zinc/90/00/77/532900077.db2.gz ATEDUNQCCXZXAB-UHFFFAOYSA-N 1 0 389.315 2.197 20 0 GEADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000276717151 532900227 /nfs/dbraw/zinc/90/02/27/532900227.db2.gz PIVGHQSZUYYQMC-UHFFFAOYSA-N 1 0 390.571 2.223 20 0 GEADRO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCc1cccc(Br)c1 ZINC000291338639 532900381 /nfs/dbraw/zinc/90/03/81/532900381.db2.gz WOMPNJNZKZWRKY-DZGCQCFKSA-N 1 0 396.329 2.036 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000291210479 532898555 /nfs/dbraw/zinc/89/85/55/532898555.db2.gz CDTYXSAPAAWFGB-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO NC(=O)C1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCCC1 ZINC000276615313 532898724 /nfs/dbraw/zinc/89/87/24/532898724.db2.gz DNCPCOZEQHAEEV-UHFFFAOYSA-N 1 0 396.329 2.421 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(C)cnc2Br)CC1 ZINC000291258039 532899181 /nfs/dbraw/zinc/89/91/81/532899181.db2.gz GCDYCYBUVZFVRC-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO CC(C)C[N@@H+]1CCCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000363540154 532899182 /nfs/dbraw/zinc/89/91/82/532899182.db2.gz SWATYOYMIPSEKO-UHFFFAOYSA-N 1 0 375.254 2.423 20 0 GEADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000363751269 532900632 /nfs/dbraw/zinc/90/06/32/532900632.db2.gz 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c1cn(CN2CC[C@H](C[NH+]3CCCC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738405029 598854268 /nfs/dbraw/zinc/85/42/68/598854268.db2.gz KRMGTWRGSJXHGU-MRXNPFEDSA-N 1 0 378.484 2.105 20 0 GEADRO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000736901342 598864246 /nfs/dbraw/zinc/86/42/46/598864246.db2.gz JUQAOOMBLUNHOY-GOSISDBHSA-N 1 0 384.484 2.031 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736269602 598871557 /nfs/dbraw/zinc/87/15/57/598871557.db2.gz XQNWXKCHQYKVOD-SJORKVTESA-N 1 0 397.527 2.392 20 0 GEADRO CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)CC(C)(C)O ZINC000736535253 598898985 /nfs/dbraw/zinc/89/89/85/598898985.db2.gz RTNGFTBJSUJFOZ-UHFFFAOYSA-N 1 0 392.529 2.228 20 0 GEADRO CCc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC000736677479 598906313 /nfs/dbraw/zinc/90/63/13/598906313.db2.gz LHBOCBASVAEVEM-UHFFFAOYSA-N 1 0 396.455 2.157 20 0 GEADRO C[N@@H+]1CCCN(C(=O)NCc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000736860399 598906559 /nfs/dbraw/zinc/90/65/59/598906559.db2.gz OZAXIZUXLQGNIT-UHFFFAOYSA-N 1 0 397.508 2.442 20 0 GEADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000737895274 598935295 /nfs/dbraw/zinc/93/52/95/598935295.db2.gz NXFUVHPBWXYVFJ-IBGZPJMESA-N 1 0 391.479 2.059 20 0 GEADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCc2cccnc2)CC1 ZINC000738177682 598946357 /nfs/dbraw/zinc/94/63/57/598946357.db2.gz LTFKMBIRWWVNNR-UHFFFAOYSA-N 1 0 377.452 2.155 20 0 GEADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000737074675 598961293 /nfs/dbraw/zinc/96/12/93/598961293.db2.gz XYBSEDDCFHHDSI-SCLBCKFNSA-N 1 0 378.436 2.331 20 0 GEADRO COC(=O)c1ccc(C[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000736947219 598982653 /nfs/dbraw/zinc/98/26/53/598982653.db2.gz GPHHKNCTTGYEKF-UHFFFAOYSA-N 1 0 397.435 2.173 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)CCN(C)c1ccccc1 ZINC000737032632 598986202 /nfs/dbraw/zinc/98/62/02/598986202.db2.gz JDLSCKACXGJAPS-UHFFFAOYSA-N 1 0 382.468 2.322 20 0 GEADRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C1(C)C ZINC000736613755 598992152 /nfs/dbraw/zinc/99/21/52/598992152.db2.gz SZFIQDFVQLUZCQ-QWHCGFSZSA-N 1 0 378.502 2.392 20 0 GEADRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C12CCCC2 ZINC000736612301 598994388 /nfs/dbraw/zinc/99/43/88/598994388.db2.gz NHLXNKWLOYNEHE-IRXDYDNUSA-N 1 0 384.484 2.475 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738043701 598999694 /nfs/dbraw/zinc/99/96/94/598999694.db2.gz DPDJKKCHOUMDPL-KRWDZBQOSA-N 1 0 377.452 2.046 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000736565088 599007858 /nfs/dbraw/zinc/00/78/58/599007858.db2.gz HKGDUCGVAZXXQV-VXGBXAGGSA-N 1 0 398.920 2.013 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000736239579 599016921 /nfs/dbraw/zinc/01/69/21/599016921.db2.gz HEBRRPZSIJSNBE-PQUAAJSLSA-N 1 0 398.511 2.357 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000736182387 599032442 /nfs/dbraw/zinc/03/24/42/599032442.db2.gz DTJHBHLFNMRKHY-ZDUSSCGKSA-N 1 0 398.442 2.151 20 0 GEADRO CC1CCC([NH+]2CCN(C(=O)CNc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736243009 599036624 /nfs/dbraw/zinc/03/66/24/599036624.db2.gz UEUAQEOWXMEBIP-UHFFFAOYSA-N 1 0 383.500 2.002 20 0 GEADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000822718695 599051113 /nfs/dbraw/zinc/05/11/13/599051113.db2.gz OZNRAYAZOMHZFG-GFCCVEGCSA-N 1 0 382.390 2.044 20 0 GEADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000737739228 599070785 /nfs/dbraw/zinc/07/07/85/599070785.db2.gz JNQVOEOXDBSRJP-LJQANCHMSA-N 1 0 394.454 2.487 20 0 GEADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000737746055 599076633 /nfs/dbraw/zinc/07/66/33/599076633.db2.gz ZEBHVXUHSDWMSY-QFBILLFUSA-N 1 0 376.464 2.348 20 0 GEADRO C[C@@]1(c2ccccc2)CCC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736229160 599076717 /nfs/dbraw/zinc/07/67/17/599076717.db2.gz KZQDHQJITDIVGG-WIYYLYMNSA-N 1 0 376.464 2.447 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000735736685 599079676 /nfs/dbraw/zinc/07/96/76/599079676.db2.gz YOZWTGFDRQJMEG-VKJFTORMSA-N 1 0 386.500 2.211 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000736565330 599080732 /nfs/dbraw/zinc/08/07/32/599080732.db2.gz JTLQDYLNOKEZBD-PBHICJAKSA-N 1 0 388.541 2.289 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000737546121 599082064 /nfs/dbraw/zinc/08/20/64/599082064.db2.gz CTMFQYFJHXTBDR-JSGCOSHPSA-N 1 0 383.456 2.114 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)nc2)[C@H]1c1cccs1 ZINC000736858570 599084729 /nfs/dbraw/zinc/08/47/29/599084729.db2.gz TUXGZUBKUWZMPY-LRDDRELGSA-N 1 0 383.481 2.136 20 0 GEADRO NC(=O)[C@H]([NH2+]CC1(c2ccccc2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729889 599089447 /nfs/dbraw/zinc/08/94/47/599089447.db2.gz FIUCKZXQJOQVSJ-GOSISDBHSA-N 1 0 376.464 2.495 20 0 GEADRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737087302 599095981 /nfs/dbraw/zinc/09/59/81/599095981.db2.gz MPWKEBFTTODMSM-FZKQIMNGSA-N 1 0 380.452 2.013 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000819866568 599103324 /nfs/dbraw/zinc/10/33/24/599103324.db2.gz OBGDXKWHOJKQOP-GXTWGEPZSA-N 1 0 389.891 2.017 20 0 GEADRO Cc1ccccc1[C@@H](O)C[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000737421280 599131049 /nfs/dbraw/zinc/13/10/49/599131049.db2.gz LXJBXERJCFSZQF-SFHVURJKSA-N 1 0 382.443 2.170 20 0 GEADRO Cc1cccnc1[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737435282 599134206 /nfs/dbraw/zinc/13/42/06/599134206.db2.gz MFKWXDUBDJANMI-SFHVURJKSA-N 1 0 379.468 2.173 20 0 GEADRO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737878251 599143396 /nfs/dbraw/zinc/14/33/96/599143396.db2.gz OTLIKODWRNIRTN-UHFFFAOYSA-N 1 0 390.875 2.351 20 0 GEADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000823238194 599159447 /nfs/dbraw/zinc/15/94/47/599159447.db2.gz IUHXEVWHRGWZDC-INIZCTEOSA-N 1 0 399.430 2.235 20 0 GEADRO CCCc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000736494738 599184672 /nfs/dbraw/zinc/18/46/72/599184672.db2.gz FIYCHFOSJBBZSB-UHFFFAOYSA-N 1 0 399.524 2.480 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821180267 599204073 /nfs/dbraw/zinc/20/40/73/599204073.db2.gz AVWQUCLGFWVZJT-QFBILLFUSA-N 1 0 397.527 2.026 20 0 GEADRO C[S@](=O)CCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737173532 599212764 /nfs/dbraw/zinc/21/27/64/599212764.db2.gz PDLCGPVSAUPAEV-MHZLTWQESA-N 1 0 385.493 2.304 20 0 GEADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821596744 599215724 /nfs/dbraw/zinc/21/57/24/599215724.db2.gz TXXUQMUATIUGGD-QGZVFWFLSA-N 1 0 376.464 2.461 20 0 GEADRO CC(C)[N@H+](CCn1cnc2ccccc2c1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735874817 599232044 /nfs/dbraw/zinc/23/20/44/599232044.db2.gz MLRYQNPMOHXLQJ-UHFFFAOYSA-N 1 0 389.463 2.487 20 0 GEADRO CN(C)c1cccc(C[N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000821598352 607312313 /nfs/dbraw/zinc/31/23/13/607312313.db2.gz ZJVMWMGZQWQICX-UHFFFAOYSA-N 1 0 379.468 2.393 20 0 GEADRO C[NH+](C)C1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821583058 599291963 /nfs/dbraw/zinc/29/19/63/599291963.db2.gz HMCWOQASUMHKOR-UHFFFAOYSA-N 1 0 383.378 2.443 20 0 GEADRO CCCC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)[C@@H](C)CC ZINC000736456877 598232711 /nfs/dbraw/zinc/23/27/11/598232711.db2.gz LZELERVBBMARAG-XOBRGWDASA-N 1 0 399.499 2.492 20 0 GEADRO C[N@H+](CC1CCCCC1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736793893 598233562 /nfs/dbraw/zinc/23/35/62/598233562.db2.gz NXNJHBBVAYEGBG-FQEVSTJZSA-N 1 0 397.483 2.103 20 0 GEADRO COc1ccccc1CC[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737150674 598247652 /nfs/dbraw/zinc/24/76/52/598247652.db2.gz RKMRQEQYSWSTIK-UHFFFAOYSA-N 1 0 380.452 2.378 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H]1OCCc2ccccc21 ZINC000736793607 598257881 /nfs/dbraw/zinc/25/78/81/598257881.db2.gz ZRDPXQIUVDZGJJ-LJQANCHMSA-N 1 0 392.463 2.441 20 0 GEADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735685136 598299499 /nfs/dbraw/zinc/29/94/99/598299499.db2.gz PAERFCXNLWPBMB-OAHLLOKOSA-N 1 0 381.484 2.104 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000738385978 598312785 /nfs/dbraw/zinc/31/27/85/598312785.db2.gz KCHXRZRGKFDNEK-QUCCMNQESA-N 1 0 395.463 2.070 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736227079 598325278 /nfs/dbraw/zinc/32/52/78/598325278.db2.gz YXRBWUHGQSZJLA-MJBXVCDLSA-N 1 0 389.479 2.171 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736227076 598325290 /nfs/dbraw/zinc/32/52/90/598325290.db2.gz 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C[N@H+](CC(=O)NCCSCc1ccccc1-c1nn[nH]n1)CC(C)(C)C ZINC000736784534 598395696 /nfs/dbraw/zinc/39/56/96/598395696.db2.gz UDMYLDINJCTALK-UHFFFAOYSA-N 1 0 376.530 2.194 20 0 GEADRO CCOC(=O)N(C)C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736599123 598397145 /nfs/dbraw/zinc/39/71/45/598397145.db2.gz LEXYINMTNDMTBB-UHFFFAOYSA-N 1 0 388.472 2.188 20 0 GEADRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736141866 598404068 /nfs/dbraw/zinc/40/40/68/598404068.db2.gz KIWSITPHSRPXSF-NHYWBVRUSA-N 1 0 378.864 2.084 20 0 GEADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738115356 598446351 /nfs/dbraw/zinc/44/63/51/598446351.db2.gz BXWHDXPJSVBOQQ-UHFFFAOYSA-N 1 0 376.464 2.395 20 0 GEADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)c(C)o1 ZINC000737233833 598462861 /nfs/dbraw/zinc/46/28/61/598462861.db2.gz GQYCVKXGUMOCFO-UHFFFAOYSA-N 1 0 380.452 2.471 20 0 GEADRO COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(OC)c1 ZINC000737093963 598467649 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CO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000736961047 598554368 /nfs/dbraw/zinc/55/43/68/598554368.db2.gz JXMCPRRQQCEDEW-LBPRGKRZSA-N 1 0 390.513 2.246 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736321660 598555238 /nfs/dbraw/zinc/55/52/38/598555238.db2.gz FRACSIQJRDRPFI-CQSZACIVSA-N 1 0 398.467 2.499 20 0 GEADRO CC[N@H+](CCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)C(C)C ZINC000736537018 598555671 /nfs/dbraw/zinc/55/56/71/598555671.db2.gz PDALRCISDIRUPB-UHFFFAOYSA-N 1 0 398.467 2.499 20 0 GEADRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736532822 598555902 /nfs/dbraw/zinc/55/59/02/598555902.db2.gz DHDGDKJZGVIMHM-AWEZNQCLSA-N 1 0 398.467 2.499 20 0 GEADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000735708158 598556816 /nfs/dbraw/zinc/55/68/16/598556816.db2.gz KMQUQKLSBYEDHO-QGZVFWFLSA-N 1 0 398.467 2.355 20 0 GEADRO CNC(=O)CCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736871107 598561843 /nfs/dbraw/zinc/56/18/43/598561843.db2.gz PAHWGJITLITQQO-UHFFFAOYSA-N 1 0 380.452 2.062 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000736179306 598568874 /nfs/dbraw/zinc/56/88/74/598568874.db2.gz CJIFCTKIOVGMLF-ZBFHGGJFSA-N 1 0 392.463 2.154 20 0 GEADRO C[N@H+](CCc1ccccc1F)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736805171 598594866 /nfs/dbraw/zinc/59/48/66/598594866.db2.gz BZIPDSIVGRJZNP-SFHVURJKSA-N 1 0 380.427 2.286 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735831704 598596048 /nfs/dbraw/zinc/59/60/48/598596048.db2.gz SZCGGJLXUSQOTM-IBGZPJMESA-N 1 0 397.527 2.072 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736530315 598596494 /nfs/dbraw/zinc/59/64/94/598596494.db2.gz HRZHTXOQQICUDW-VQIMIIECSA-N 1 0 399.543 2.462 20 0 GEADRO CC[N@H+]([C@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736510927 598621429 /nfs/dbraw/zinc/62/14/29/598621429.db2.gz ABEMIOTWSCQIIN-BXUZGUMPSA-N 1 0 382.390 2.413 20 0 GEADRO CC[N@H+]([C@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736510931 598621903 /nfs/dbraw/zinc/62/19/03/598621903.db2.gz ABEMIOTWSCQIIN-RISCZKNCSA-N 1 0 382.390 2.413 20 0 GEADRO O=C(CC[C@@H]1CCCCO1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737824313 598682135 /nfs/dbraw/zinc/68/21/35/598682135.db2.gz PLUBRVBAXPGZBU-IBGZPJMESA-N 1 0 398.511 2.250 20 0 GEADRO Cc1cnn(CCCCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737448133 598702627 /nfs/dbraw/zinc/70/26/27/598702627.db2.gz LDLJHCIUGDJFAF-UHFFFAOYSA-N 1 0 380.500 2.364 20 0 GEADRO C[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736016769 598715154 /nfs/dbraw/zinc/71/51/54/598715154.db2.gz CPBQCTVEGQQOMM-OAHLLOKOSA-N 1 0 379.468 2.186 20 0 GEADRO C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736016767 598715177 /nfs/dbraw/zinc/71/51/77/598715177.db2.gz CPBQCTVEGQQOMM-HNNXBMFYSA-N 1 0 379.468 2.186 20 0 GEADRO CCCCCC[N@H+](C)CC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736449572 598716992 /nfs/dbraw/zinc/71/69/92/598716992.db2.gz YWNZSWVJDQEBKC-UHFFFAOYSA-N 1 0 399.543 2.023 20 0 GEADRO COc1ccccc1C[N@H+](CCO)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000737149377 598717347 /nfs/dbraw/zinc/71/73/47/598717347.db2.gz HOTVXJNBESJCKM-UHFFFAOYSA-N 1 0 378.436 2.123 20 0 GEADRO O=C(CC[N@@H+]1CCO[C@H]2CCCC[C@H]21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737844392 598761701 /nfs/dbraw/zinc/76/17/01/598761701.db2.gz SZWPJYUTUXIJNG-CVEARBPZSA-N 1 0 390.875 2.492 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838202 598762623 /nfs/dbraw/zinc/76/26/23/598762623.db2.gz KIIXDVPJUCEQFS-ZDUSSCGKSA-N 1 0 398.496 2.086 20 0 GEADRO O=C1[C@@H]([N@@H+]2CC[C@H](Nc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291555 598764238 /nfs/dbraw/zinc/76/42/38/598764238.db2.gz VHIZWJWMQJDSFO-HKUYNNGSSA-N 1 0 389.463 2.158 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000736145437 598787299 /nfs/dbraw/zinc/78/72/99/598787299.db2.gz BYXKFJWKXQANSL-LBPRGKRZSA-N 1 0 398.433 2.415 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCc2ccccc21 ZINC000736767474 598790649 /nfs/dbraw/zinc/79/06/49/598790649.db2.gz QMAVRHNADWHDBN-FQEVSTJZSA-N 1 0 390.491 2.487 20 0 GEADRO Cc1cccc(C)c1OCCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737388075 598795577 /nfs/dbraw/zinc/79/55/77/598795577.db2.gz AQZOPGLIPPXCHK-UHFFFAOYSA-N 1 0 393.495 2.470 20 0 GEADRO COc1ccsc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737160137 598805294 /nfs/dbraw/zinc/80/52/94/598805294.db2.gz TXHPIJQYZKGQKB-UHFFFAOYSA-N 1 0 386.481 2.141 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568951 598821260 /nfs/dbraw/zinc/82/12/60/598821260.db2.gz FFCAKKDMYVJENA-SFHVURJKSA-N 1 0 384.484 2.111 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C[C@@H]1[NH+](C)C ZINC000736292240 599296224 /nfs/dbraw/zinc/29/62/24/599296224.db2.gz NXTMQTUOXYZNSB-CJNGLKHVSA-N 1 0 396.451 2.061 20 0 GEADRO O[C@H]1CCC[C@H]1[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000738388852 599321256 /nfs/dbraw/zinc/32/12/56/599321256.db2.gz HSRLTDRTUNPELP-SJORKVTESA-N 1 0 399.886 2.104 20 0 GEADRO CC[C@]1(C)CCC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820949532 599328715 /nfs/dbraw/zinc/32/87/15/599328715.db2.gz BXWHNVAGHJGKBS-HXUWFJFHSA-N 1 0 397.483 2.101 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821188912 599329648 /nfs/dbraw/zinc/32/96/48/599329648.db2.gz FYUCFXPQSLKTKS-MRXNPFEDSA-N 1 0 380.500 2.351 20 0 GEADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000736199247 599338075 /nfs/dbraw/zinc/33/80/75/599338075.db2.gz WTUDIMZXSFFFNK-MRXNPFEDSA-N 1 0 380.500 2.221 20 0 GEADRO Cc1cccnc1[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000737435434 599355768 /nfs/dbraw/zinc/35/57/68/599355768.db2.gz NTYSUXXJOYWSEU-FUHWJXTLSA-N 1 0 382.468 2.297 20 0 GEADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C(C)C ZINC000821683876 599381565 /nfs/dbraw/zinc/38/15/65/599381565.db2.gz MKTAEBYYZFDHSW-PWSUYJOCSA-N 1 0 378.502 2.005 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000820410342 599389603 /nfs/dbraw/zinc/38/96/03/599389603.db2.gz DSGPHQHVGZVYKB-NEPJUHHUSA-N 1 0 397.414 2.393 20 0 GEADRO CCC(CC)[C@H](C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)N1CCOCC1 ZINC000820893758 599400412 /nfs/dbraw/zinc/40/04/12/599400412.db2.gz UWYJUNBDOOWBLU-SFHVURJKSA-N 1 0 388.516 2.102 20 0 GEADRO C[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[N@@H+]1CCCC[C@@H]1C ZINC000820703464 599409955 /nfs/dbraw/zinc/40/99/55/599409955.db2.gz FTXBIPOJXQYZPX-QWHCGFSZSA-N 1 0 375.452 2.068 20 0 GEADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OCCO)c(OC)c2)cc1-c1nn[nH]n1 ZINC000821708746 599414266 /nfs/dbraw/zinc/41/42/66/599414266.db2.gz YLYZVYVCMYLMPH-ZDUSSCGKSA-N 1 0 399.451 2.106 20 0 GEADRO c1cc(-c2nn[nH]n2)oc1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000823766737 599416296 /nfs/dbraw/zinc/41/62/96/599416296.db2.gz IZUKRLZGYNCRNF-UHFFFAOYSA-N 1 0 383.408 2.026 20 0 GEADRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)cc1-c1nn[nH]n1 ZINC000821808783 599439611 /nfs/dbraw/zinc/43/96/11/599439611.db2.gz JPLJDXDJSXKUGF-GOSISDBHSA-N 1 0 375.379 2.151 20 0 GEADRO COc1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1-c1nn[nH]n1 ZINC000821813934 599440625 /nfs/dbraw/zinc/44/06/25/599440625.db2.gz PUQZLWUZYWQFSQ-UHFFFAOYSA-N 1 0 381.415 2.233 20 0 GEADRO COc1ccc(-c2n[nH]cc2C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821731875 599452135 /nfs/dbraw/zinc/45/21/35/599452135.db2.gz HTTRWEVAGWFKGW-UHFFFAOYSA-N 1 0 391.435 2.434 20 0 GEADRO COc1cccc(O[C@@H](C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000821872698 599454371 /nfs/dbraw/zinc/45/43/71/599454371.db2.gz NXVXGPHNZINTSY-ZDUSSCGKSA-N 1 0 379.424 2.080 20 0 GEADRO Fc1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000822778061 599466307 /nfs/dbraw/zinc/46/63/07/599466307.db2.gz BQGRONYGRPGZKX-UHFFFAOYSA-N 1 0 381.459 2.236 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736234467 599477248 /nfs/dbraw/zinc/47/72/48/599477248.db2.gz JMGVOSQFTXOOCT-XHBKTUGNSA-N 1 0 380.427 2.410 20 0 GEADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737742913 599478594 /nfs/dbraw/zinc/47/85/94/599478594.db2.gz RNYBGLWBAKKWHK-KBXCAEBGSA-N 1 0 380.427 2.097 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738389416 599479751 /nfs/dbraw/zinc/47/97/51/599479751.db2.gz WVDRLZFHOJTANY-QFBILLFUSA-N 1 0 397.454 2.310 20 0 GEADRO Cc1cc(C)c(NC(=O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c(C)c1 ZINC000737244995 599482222 /nfs/dbraw/zinc/48/22/22/599482222.db2.gz BJLULRQNCAVSPI-UHFFFAOYSA-N 1 0 390.451 2.168 20 0 GEADRO CN(C)[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(F)cc1 ZINC000736760185 599485024 /nfs/dbraw/zinc/48/50/24/599485024.db2.gz QEXHPKWJIXGFBB-QGZVFWFLSA-N 1 0 380.431 2.046 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000738427569 599486010 /nfs/dbraw/zinc/48/60/10/599486010.db2.gz XJDJKQMFNHVIGE-UHFFFAOYSA-N 1 0 385.435 2.032 20 0 GEADRO CC(C)(C)OC(=O)N(CC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)C1CC1 ZINC000735624890 599488202 /nfs/dbraw/zinc/48/82/02/599488202.db2.gz XIDAJRSRRKGLRZ-UHFFFAOYSA-N 1 0 398.471 2.004 20 0 GEADRO CC[C@@H](CO)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCCC1 ZINC000736351240 599517928 /nfs/dbraw/zinc/51/79/28/599517928.db2.gz DWIFLHVHJFVEGD-AWEZNQCLSA-N 1 0 389.504 2.089 20 0 GEADRO C[C@H](Nc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)[C@H](C)[NH+]1CCOCC1 ZINC000820452141 599528283 /nfs/dbraw/zinc/52/82/83/599528283.db2.gz ZZSZAVUNPOLYDH-RYUDHWBXSA-N 1 0 387.875 2.011 20 0 GEADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1cccc(F)c1-c1nn[nH]n1 ZINC000736799828 599535250 /nfs/dbraw/zinc/53/52/50/599535250.db2.gz YRJATERAHYQZBE-UHFFFAOYSA-N 1 0 381.459 2.264 20 0 GEADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000821198773 599546257 /nfs/dbraw/zinc/54/62/57/599546257.db2.gz VUDGYIRDLCJGLO-KRWDZBQOSA-N 1 0 391.479 2.246 20 0 GEADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000821198775 599546378 /nfs/dbraw/zinc/54/63/78/599546378.db2.gz VUDGYIRDLCJGLO-QGZVFWFLSA-N 1 0 391.479 2.246 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000736224823 599554897 /nfs/dbraw/zinc/55/48/97/599554897.db2.gz BDYHUOLLCRBYQW-CRAIPNDOSA-N 1 0 391.479 2.387 20 0 GEADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000736988514 599578450 /nfs/dbraw/zinc/57/84/50/599578450.db2.gz STECJLNIFHPKTA-ZDUSSCGKSA-N 1 0 389.504 2.134 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@@H+]3CCCC4(CCOCC4)C3)o2)c1 ZINC000823737807 599578905 /nfs/dbraw/zinc/57/89/05/599578905.db2.gz KSNOZCLBFBAXAN-UHFFFAOYSA-N 1 0 381.440 2.309 20 0 GEADRO C[NH+](C)C1(CNc2c(-c3nn[nH]n3)cnc3ccccc32)Cc2ccccc2C1 ZINC000821581141 599582317 /nfs/dbraw/zinc/58/23/17/599582317.db2.gz DJORBMDXQLFWJT-UHFFFAOYSA-N 1 0 385.475 2.348 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821599356 599582701 /nfs/dbraw/zinc/58/27/01/599582701.db2.gz PWWHOJKIDMFFBX-MRXNPFEDSA-N 1 0 382.472 2.223 20 0 GEADRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H](CCO)c1ccccc1 ZINC000821597642 599584899 /nfs/dbraw/zinc/58/48/99/599584899.db2.gz BSICRYTWAIDZFZ-HNNXBMFYSA-N 1 0 386.481 2.312 20 0 GEADRO O=C(CC[N@H+]1CCC[C@H](OCC(F)(F)F)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842875 599586627 /nfs/dbraw/zinc/58/66/27/599586627.db2.gz DOSJDUXBIXSCBW-LBPRGKRZSA-N 1 0 398.389 2.239 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000821189171 599586790 /nfs/dbraw/zinc/58/67/90/599586790.db2.gz ISLXTNULFRFEHR-AWEZNQCLSA-N 1 0 382.472 2.080 20 0 GEADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000735560008 599587760 /nfs/dbraw/zinc/58/77/60/599587760.db2.gz BFBIUDYWICVAJQ-QAPCUYQASA-N 1 0 383.500 2.144 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821181388 599644522 /nfs/dbraw/zinc/64/45/22/599644522.db2.gz MMEKXKHXXXCYMU-CQSZACIVSA-N 1 0 391.907 2.265 20 0 GEADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000820722785 599654843 /nfs/dbraw/zinc/65/48/43/599654843.db2.gz OLLMLFPODUDVCP-CQSZACIVSA-N 1 0 393.451 2.235 20 0 GEADRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)Oc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000820518561 599655050 /nfs/dbraw/zinc/65/50/50/599655050.db2.gz GQPDYLFQFBQXLK-UAGQMJEPSA-N 1 0 384.484 2.108 20 0 GEADRO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000821649734 599691126 /nfs/dbraw/zinc/69/11/26/599691126.db2.gz CETJMWMJYUOVAV-FGTMMUONSA-N 1 0 384.484 2.028 20 0 GEADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnc1 ZINC000819858047 599695785 /nfs/dbraw/zinc/69/57/85/599695785.db2.gz YSFMQANQPLGWDM-MRXNPFEDSA-N 1 0 391.479 2.100 20 0 GEADRO CNC(=O)[C@@H]([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C(C)C ZINC000821631586 607390222 /nfs/dbraw/zinc/39/02/22/607390222.db2.gz MVONGXBQMJDENV-IBGZPJMESA-N 1 0 394.479 2.306 20 0 GEADRO CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000736454052 599963678 /nfs/dbraw/zinc/96/36/78/599963678.db2.gz DCFJFFFLGAEOHH-MRXNPFEDSA-N 1 0 375.513 2.442 20 0 GEADRO COC(=O)[C@@H]1CC12CC[NH+](C[C@H](C)C[NH+]1CCC3(C[C@@H]3C(=O)[O-])CC1)CC2 ZINC000737580220 600209714 /nfs/dbraw/zinc/20/97/14/600209714.db2.gz MGSYNIUADGSSQG-ZACQAIPSSA-N 1 0 378.513 2.084 20 0 GEADRO CCC[C@@](C)([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C(=O)[O-] ZINC000736961684 600322550 /nfs/dbraw/zinc/32/25/50/600322550.db2.gz WODDZLRLWIUOFX-OAQYLSRUSA-N 1 0 375.513 2.262 20 0 GEADRO C[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000824936373 607449976 /nfs/dbraw/zinc/44/99/76/607449976.db2.gz GUPQVAMBODKVJM-CABCVRRESA-N 1 0 383.500 2.275 20 0 GEADRO C[C@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[NH+]1CCC(C)CC1 ZINC000824952897 607453750 /nfs/dbraw/zinc/45/37/50/607453750.db2.gz BVXWFGZMEJZCNS-OAHLLOKOSA-N 1 0 383.500 2.275 20 0 GEADRO CCc1nnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821521379 607470621 /nfs/dbraw/zinc/47/06/21/607470621.db2.gz FHMMDHMWPWEXKM-SUMWQHHRSA-N 1 0 382.516 2.235 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H](CO)C(C)(C)C ZINC000825914799 607473004 /nfs/dbraw/zinc/47/30/04/607473004.db2.gz OLOJOLMQNJWGKG-CQSZACIVSA-N 1 0 380.880 2.188 20 0 GEADRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825232909 607490419 /nfs/dbraw/zinc/49/04/19/607490419.db2.gz LHVULOUKMXHKNF-GDBMZVCRSA-N 1 0 386.500 2.392 20 0 GEADRO CN(CC1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1)C(=O)OC(C)(C)C ZINC000825914544 607494267 /nfs/dbraw/zinc/49/42/67/607494267.db2.gz JILBUCNYHVXKRG-UHFFFAOYSA-N 1 0 387.488 2.341 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000820092455 607506692 /nfs/dbraw/zinc/50/66/92/607506692.db2.gz MEVORYRUDJBQSE-CYBMUJFWSA-N 1 0 375.452 2.495 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000821761959 607507427 /nfs/dbraw/zinc/50/74/27/607507427.db2.gz HQDIQGAKVDIDKB-CQSZACIVSA-N 1 0 387.488 2.365 20 0 GEADRO FC(F)(F)c1cc([C@H]2CCC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC000826368675 607508479 /nfs/dbraw/zinc/50/84/79/607508479.db2.gz YIRAXCJJAJMDLI-NSHDSACASA-N 1 0 378.362 2.383 20 0 GEADRO COc1cc(OC)cc(OCCC[N@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)c1 ZINC000826181351 607512722 /nfs/dbraw/zinc/51/27/22/607512722.db2.gz VWEFXSZBAIPQTF-UHFFFAOYSA-N 1 0 384.440 2.180 20 0 GEADRO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000825282514 607516424 /nfs/dbraw/zinc/51/64/24/607516424.db2.gz VSPGJDXULROQLD-UHFFFAOYSA-N 1 0 386.500 2.346 20 0 GEADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)s1 ZINC000826282136 607520070 /nfs/dbraw/zinc/52/00/70/607520070.db2.gz ZRGFKLHBWSYYMD-UHFFFAOYSA-N 1 0 383.481 2.026 20 0 GEADRO c1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccnc(-c5nn[nH]n5)c4)CC3)n2)cc1 ZINC000826519154 607521202 /nfs/dbraw/zinc/52/12/02/607521202.db2.gz MKJJSOPEBHOOSP-UHFFFAOYSA-N 1 0 387.451 2.426 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000826182619 607524730 /nfs/dbraw/zinc/52/47/30/607524730.db2.gz PHMNBQJAMZPQTP-CYBMUJFWSA-N 1 0 388.472 2.222 20 0 GEADRO O=C(C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826410255 607528027 /nfs/dbraw/zinc/52/80/27/607528027.db2.gz HXWZJWWJDCDIJZ-STQMWFEESA-N 1 0 390.875 2.207 20 0 GEADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000826000719 601844355 /nfs/dbraw/zinc/84/43/55/601844355.db2.gz QIQFBYHQMBOJHA-YLJYHZDGSA-N 1 0 387.524 2.342 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825856244 607543649 /nfs/dbraw/zinc/54/36/49/607543649.db2.gz SNYHEEARWZQUKB-KVWWFHCMSA-N 1 0 397.527 2.072 20 0 GEADRO CC[C@](C)(CC(=O)[O-])[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000828657862 602221560 /nfs/dbraw/zinc/22/15/60/602221560.db2.gz MKGZBJHUUWSARZ-LJQANCHMSA-N 1 0 379.526 2.407 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000444056649 649932627 /nfs/dbraw/zinc/93/26/27/649932627.db2.gz QZCZZFPDRDZOSU-QGZVFWFLSA-N 1 0 385.961 2.129 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)[N@@H+]1CCCC[C@H]1C ZINC000824938563 607587084 /nfs/dbraw/zinc/58/70/84/607587084.db2.gz VGPVUZPWCCZPCN-VXGBXAGGSA-N 1 0 398.920 2.061 20 0 GEADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CC1 ZINC000825285218 607598596 /nfs/dbraw/zinc/59/85/96/607598596.db2.gz MYRWTCNSDDTVIJ-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO O=C(OCc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826467160 607607519 /nfs/dbraw/zinc/60/75/19/607607519.db2.gz JPCDDHPXJYYLDG-KRWDZBQOSA-N 1 0 378.436 2.217 20 0 GEADRO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1-c1nn[nH]n1 ZINC000826201616 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RLPMZCOBMDDWNQ-GOSISDBHSA-N 1 0 380.496 2.481 20 0 GEADRO c1cc2nc(N3CC[C@H](OCC[NH+]4CCCCC4)C3)ccc2cc1-c1nn[nH]n1 ZINC000826518559 608233874 /nfs/dbraw/zinc/23/38/74/608233874.db2.gz RLUZTHKYQYURDP-SFHVURJKSA-N 1 0 393.495 2.496 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000824739147 608248354 /nfs/dbraw/zinc/24/83/54/608248354.db2.gz VSCBNFWPXVXIFV-GOEBONIOSA-N 1 0 397.435 2.435 20 0 GEADRO CC(=O)N1CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC12CCCCC2 ZINC000823980982 608255236 /nfs/dbraw/zinc/25/52/36/608255236.db2.gz IGEBQUFWRWDGDK-UHFFFAOYSA-N 1 0 384.484 2.113 20 0 GEADRO Cc1cccnc1C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826308435 608259220 /nfs/dbraw/zinc/25/92/20/608259220.db2.gz ZCKPOKGKAYBQJW-UHFFFAOYSA-N 1 0 377.452 2.421 20 0 GEADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826435183 608262509 /nfs/dbraw/zinc/26/25/09/608262509.db2.gz IETPQFMIOODUSU-UHFFFAOYSA-N 1 0 396.430 2.439 20 0 GEADRO CC[NH+]1CCN(Cc2ccc(CNc3nc(C)ccc3-c3nn[nH]n3)cc2)CC1 ZINC000825460523 608273478 /nfs/dbraw/zinc/27/34/78/608273478.db2.gz ZPGJKCSALDWGDD-UHFFFAOYSA-N 1 0 392.511 2.320 20 0 GEADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826216869 608281711 /nfs/dbraw/zinc/28/17/11/608281711.db2.gz QOYAIQGRXUEWDP-AWEZNQCLSA-N 1 0 396.451 2.261 20 0 GEADRO CCOCC[N@@H+]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)C[C@@H]1CC ZINC000825599877 608284244 /nfs/dbraw/zinc/28/42/44/608284244.db2.gz SVDADSDCGOSZPB-INIZCTEOSA-N 1 0 385.516 2.078 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1-c1nn[nH]n1 ZINC000826202016 608286402 /nfs/dbraw/zinc/28/64/02/608286402.db2.gz LXLBLNFPCAULEC-KBXCAEBGSA-N 1 0 392.463 2.155 20 0 GEADRO CCc1cccnc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825728719 608306006 /nfs/dbraw/zinc/30/60/06/608306006.db2.gz XHSWZYMQPZBPJG-UHFFFAOYSA-N 1 0 379.468 2.028 20 0 GEADRO CC(C)c1ccc(C[C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000824457245 608308442 /nfs/dbraw/zinc/30/84/42/608308442.db2.gz HZHGMYNLRVUZAG-HOCLYGCPSA-N 1 0 380.500 2.449 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CCCC[C@H]2C2OCCO2)c1-c1nn[nH]n1 ZINC000826332542 608313299 /nfs/dbraw/zinc/31/32/99/608313299.db2.gz XFSBNAURNUWBCF-INIZCTEOSA-N 1 0 395.467 2.088 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825411906 608313848 /nfs/dbraw/zinc/31/38/48/608313848.db2.gz HHIBMOPQAUEFFA-KRWDZBQOSA-N 1 0 380.500 2.277 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C[C@H]1C ZINC000825444271 608315044 /nfs/dbraw/zinc/31/50/44/608315044.db2.gz LDSALYWDWGUANI-RVKKMQEKSA-N 1 0 386.500 2.211 20 0 GEADRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000825233814 608355522 /nfs/dbraw/zinc/35/55/22/608355522.db2.gz SCTIDJPZZUWMMI-RHSMWYFYSA-N 1 0 386.500 2.392 20 0 GEADRO CN(CC[NH+](C)C)C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000825866342 608358684 /nfs/dbraw/zinc/35/86/84/608358684.db2.gz WNWAFAMFGOHCCM-UHFFFAOYSA-N 1 0 379.468 2.237 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000826168014 608364706 /nfs/dbraw/zinc/36/47/06/608364706.db2.gz ZBJJFWUYBPQPRE-UHFFFAOYSA-N 1 0 376.461 2.222 20 0 GEADRO CS[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1[NH+](C)C ZINC000826227754 608382369 /nfs/dbraw/zinc/38/23/69/608382369.db2.gz XDEGNCRZOWGXND-STQMWFEESA-N 1 0 383.319 2.111 20 0 GEADRO C[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2F)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000824983557 608391627 /nfs/dbraw/zinc/39/16/27/608391627.db2.gz BNAYKZNKPKKEBA-HNAYVOBHSA-N 1 0 396.470 2.246 20 0 GEADRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000826457924 608403521 /nfs/dbraw/zinc/40/35/21/608403521.db2.gz VVIBHSCZSKJLMC-AWEZNQCLSA-N 1 0 381.415 2.252 20 0 GEADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826430533 608412477 /nfs/dbraw/zinc/41/24/77/608412477.db2.gz FMOCRIIKIBROGQ-IBGZPJMESA-N 1 0 393.495 2.150 20 0 GEADRO C[C@@H](CNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C[NH+]1CCCC1 ZINC000824420362 608417651 /nfs/dbraw/zinc/41/76/51/608417651.db2.gz INHUFOIGHWTDIP-INIZCTEOSA-N 1 0 395.511 2.397 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825406320 608418466 /nfs/dbraw/zinc/41/84/66/608418466.db2.gz KHSRFEGDBDYVAS-OAHLLOKOSA-N 1 0 383.500 2.396 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826029554 608419437 /nfs/dbraw/zinc/41/94/37/608419437.db2.gz TXMUMWDMAQTTLA-HNNXBMFYSA-N 1 0 381.484 2.007 20 0 GEADRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c(-c2nn[nH]n2)c1C ZINC000826341686 608431252 /nfs/dbraw/zinc/43/12/52/608431252.db2.gz NMNNVESYQPYHPY-QWRGUYRKSA-N 1 0 398.423 2.483 20 0 GEADRO Clc1ccc(CN(CC[NH+]2CCCC2)c2ccc(-c3nn[nH]n3)nn2)cc1 ZINC000826351852 608433301 /nfs/dbraw/zinc/43/33/01/608433301.db2.gz DDBFSURAJNCIMT-UHFFFAOYSA-N 1 0 384.875 2.413 20 0 GEADRO CC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1OCC(=O)NC ZINC000825144120 608457984 /nfs/dbraw/zinc/45/79/84/608457984.db2.gz YSUDCHXBALTCPH-KRWDZBQOSA-N 1 0 398.442 2.372 20 0 GEADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000826209442 608460547 /nfs/dbraw/zinc/46/05/47/608460547.db2.gz BWIUTVBHJWOHGU-GFCCVEGCSA-N 1 0 382.424 2.173 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564886 608463637 /nfs/dbraw/zinc/46/36/37/608463637.db2.gz XRORKPQUKDIAQB-LBPRGKRZSA-N 1 0 382.472 2.187 20 0 GEADRO Cc1cccc(OCCCNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826300034 608468164 /nfs/dbraw/zinc/46/81/64/608468164.db2.gz FHAGJRSBUQIAIQ-INIZCTEOSA-N 1 0 394.479 2.411 20 0 GEADRO CCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825648936 608468922 /nfs/dbraw/zinc/46/89/22/608468922.db2.gz GWABGJUQSAUPMA-CQSZACIVSA-N 1 0 380.452 2.232 20 0 GEADRO COc1cc([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)ccc1OCCO ZINC000826177623 608470542 /nfs/dbraw/zinc/47/05/42/608470542.db2.gz OZEUZNHVRRUTAU-LBPRGKRZSA-N 1 0 387.415 2.236 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)cc1OC ZINC000826187672 608472437 /nfs/dbraw/zinc/47/24/37/608472437.db2.gz BEFJGFJRKKDKCL-SNVBAGLBSA-N 1 0 388.453 2.235 20 0 GEADRO CN(C)C(=O)C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825840287 608473169 /nfs/dbraw/zinc/47/31/69/608473169.db2.gz NDXBULKAPFVHSW-GOSISDBHSA-N 1 0 380.452 2.055 20 0 GEADRO CN(C)C(=O)C[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825838839 608473351 /nfs/dbraw/zinc/47/33/51/608473351.db2.gz CYPYPNYERGTDBF-IBGZPJMESA-N 1 0 394.479 2.445 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000825621373 608477680 /nfs/dbraw/zinc/47/76/80/608477680.db2.gz RFTLLZBKYQDSKI-HUUCEWRRSA-N 1 0 385.472 2.356 20 0 GEADRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc[nH]c(=O)c2Br)C[C@@H](C)O1 ZINC000446243256 649975637 /nfs/dbraw/zinc/97/56/37/649975637.db2.gz FZHJOWBVZFFJSE-VXGBXAGGSA-N 1 0 386.290 2.169 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCCCOC1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562305 608484299 /nfs/dbraw/zinc/48/42/99/608484299.db2.gz FBISDJVLKMOLMF-OAHLLOKOSA-N 1 0 386.500 2.373 20 0 GEADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824004774 608487816 /nfs/dbraw/zinc/48/78/16/608487816.db2.gz DTVXQNKZXQZNMS-LBPRGKRZSA-N 1 0 379.424 2.114 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826431682 608490401 /nfs/dbraw/zinc/49/04/01/608490401.db2.gz HTXOHYVRABHRLK-RTBURBONSA-N 1 0 393.495 2.292 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825459388 608491706 /nfs/dbraw/zinc/49/17/06/608491706.db2.gz JUCAPEVDMGFGGI-GOSISDBHSA-N 1 0 381.484 2.150 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824569017 608493535 /nfs/dbraw/zinc/49/35/35/608493535.db2.gz FSYSKRCJMBFSBN-XJKSGUPXSA-N 1 0 378.436 2.439 20 0 GEADRO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825981231 608502353 /nfs/dbraw/zinc/50/23/53/608502353.db2.gz QRCCYELKDYPJOI-IBGZPJMESA-N 1 0 376.464 2.492 20 0 GEADRO O=C(NCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1F ZINC000826437567 608504181 /nfs/dbraw/zinc/50/41/81/608504181.db2.gz RDFPJZNMCVKCHF-GOSISDBHSA-N 1 0 380.427 2.403 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)COc1ccc(F)cc1 ZINC000826502673 608504623 /nfs/dbraw/zinc/50/46/23/608504623.db2.gz IPJBFYYUJGVVJE-LPHOPBHVSA-N 1 0 383.427 2.413 20 0 GEADRO OCCn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826510429 608504872 /nfs/dbraw/zinc/50/48/72/608504872.db2.gz QIMXBFOISZAZEZ-ZWKOTPCHSA-N 1 0 379.468 2.100 20 0 GEADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000826518193 608510030 /nfs/dbraw/zinc/51/00/30/608510030.db2.gz FEKQAVGOJCJOHV-IBGZPJMESA-N 1 0 382.512 2.479 20 0 GEADRO COCCOc1cccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826163105 608515004 /nfs/dbraw/zinc/51/50/04/608515004.db2.gz GVBFURBBBJGLRM-UHFFFAOYSA-N 1 0 394.479 2.214 20 0 GEADRO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)cn1 ZINC000826362575 608515161 /nfs/dbraw/zinc/51/51/61/608515161.db2.gz YWVFRYXTWIKLHP-LPHOPBHVSA-N 1 0 378.484 2.236 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1-n1cccn1 ZINC000824565111 608517238 /nfs/dbraw/zinc/51/72/38/608517238.db2.gz ZGSJPBBDGQKQQU-CQSZACIVSA-N 1 0 388.435 2.342 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1-n1cccn1 ZINC000824562053 608517413 /nfs/dbraw/zinc/51/74/13/608517413.db2.gz CEQKFDSBGFTLQD-CQSZACIVSA-N 1 0 388.435 2.342 20 0 GEADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000826412608 608526703 /nfs/dbraw/zinc/52/67/03/608526703.db2.gz VIVDYMKDYVULLQ-BBRMVZONSA-N 1 0 384.465 2.234 20 0 GEADRO Cc1oc(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c(-c2nn[nH]n2)c1C ZINC000826341594 608526729 /nfs/dbraw/zinc/52/67/29/608526729.db2.gz LPRVMUOTWRGGPB-QAPCUYQASA-N 1 0 396.451 2.382 20 0 GEADRO CC(=O)Nc1ccc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000823999690 608531773 /nfs/dbraw/zinc/53/17/73/608531773.db2.gz HLJQOVASLOVXQQ-UHFFFAOYSA-N 1 0 391.435 2.043 20 0 GEADRO O[C@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)COCc1ccccc1F ZINC000826503453 608533141 /nfs/dbraw/zinc/53/31/41/608533141.db2.gz XXAXKEYMIOKKJI-QGZVFWFLSA-N 1 0 383.427 2.162 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412579 608537131 /nfs/dbraw/zinc/53/71/31/608537131.db2.gz UJXYSRZYBHFRLO-UHFFFAOYSA-N 1 0 382.855 2.415 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824909797 608608185 /nfs/dbraw/zinc/60/81/85/608608185.db2.gz UYJPVHGWJRUDKY-INMHGKMJSA-N 1 0 380.500 2.352 20 0 GEADRO O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1)c1ccccc1 ZINC000826432213 608646029 /nfs/dbraw/zinc/64/60/29/608646029.db2.gz VCUZIUVZLGXLFY-UHFFFAOYSA-N 1 0 380.427 2.400 20 0 GEADRO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)n1 ZINC000826265336 608688600 /nfs/dbraw/zinc/68/86/00/608688600.db2.gz VMKNPNBAOJTDIX-QGZVFWFLSA-N 1 0 391.483 2.382 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000824999216 608808287 /nfs/dbraw/zinc/80/82/87/608808287.db2.gz DZLOHSACBFMPAH-PWSUYJOCSA-N 1 0 393.398 2.169 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824619663 609139573 /nfs/dbraw/zinc/13/95/73/609139573.db2.gz YJUVGKLGTFBHFZ-GFCCVEGCSA-N 1 0 389.456 2.401 20 0 GEADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000446371392 649979205 /nfs/dbraw/zinc/97/92/05/649979205.db2.gz WHMWQOPFXUCSPA-PPHDSNJXSA-N 1 0 388.295 2.416 20 0 GEADRO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C(C)(C)O1 ZINC000824788602 609169048 /nfs/dbraw/zinc/16/90/48/609169048.db2.gz BOEJNQKZEBEVLX-JKSUJKDBSA-N 1 0 384.484 2.298 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825407046 609190160 /nfs/dbraw/zinc/19/01/60/609190160.db2.gz XDEMOCVOLIANDK-MOPGFXCFSA-N 1 0 394.479 2.099 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000824885056 609215450 /nfs/dbraw/zinc/21/54/50/609215450.db2.gz QZOJAXIELVPFCG-RHSMWYFYSA-N 1 0 379.468 2.320 20 0 GEADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824530045 609222062 /nfs/dbraw/zinc/22/20/62/609222062.db2.gz JEAJLHWCYPASKK-KDOFPFPSSA-N 1 0 394.479 2.146 20 0 GEADRO CCC[NH+]1CCC(Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)CC1 ZINC000825328016 609242446 /nfs/dbraw/zinc/24/24/46/609242446.db2.gz NTVUXORZFJQRPU-UHFFFAOYSA-N 1 0 385.516 2.114 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)C[C@H]1[NH+]1CCCC1 ZINC000446420472 649979990 /nfs/dbraw/zinc/97/99/90/649979990.db2.gz JCSHTXPSBCKYOR-NEPJUHHUSA-N 1 0 386.315 2.202 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C=Cc1cccc(O)c1 ZINC000825865418 609268786 /nfs/dbraw/zinc/26/87/86/609268786.db2.gz DHNNZSJEENLFLL-FLIBITNWSA-N 1 0 392.463 2.176 20 0 GEADRO CC[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)[NH+](CC)CC ZINC000825039586 609288885 /nfs/dbraw/zinc/28/88/85/609288885.db2.gz UZZHOENNMQGOBF-CYBMUJFWSA-N 1 0 386.435 2.250 20 0 GEADRO COc1cc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)ccc1OCCO ZINC000826179646 609328030 /nfs/dbraw/zinc/32/80/30/609328030.db2.gz XRSPTDOULGQANZ-LBPRGKRZSA-N 1 0 387.415 2.236 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824571697 609332949 /nfs/dbraw/zinc/33/29/49/609332949.db2.gz RCWINDLOUBWFNB-JQWIXIFHSA-N 1 0 393.369 2.375 20 0 GEADRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000825849357 609335664 /nfs/dbraw/zinc/33/56/64/609335664.db2.gz KRRRHDNFZOAYFL-KRWDZBQOSA-N 1 0 392.467 2.253 20 0 GEADRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](C)C1 ZINC000824945489 609336382 /nfs/dbraw/zinc/33/63/82/609336382.db2.gz CZGKQOAKOQZEAA-HOTGVXAUSA-N 1 0 394.527 2.477 20 0 GEADRO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579465 609337175 /nfs/dbraw/zinc/33/71/75/609337175.db2.gz ZNBORXHKXZQDFS-BTYIYWSLSA-N 1 0 396.470 2.293 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361073 609337750 /nfs/dbraw/zinc/33/77/50/609337750.db2.gz KFKFXIXGEWKUBG-GOSISDBHSA-N 1 0 393.426 2.230 20 0 GEADRO Cn1cc(C[NH2+]CCCOCC(F)(F)F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361971 609337946 /nfs/dbraw/zinc/33/79/46/609337946.db2.gz YBUPFKBSHAMMCL-UHFFFAOYSA-N 1 0 395.389 2.326 20 0 GEADRO Cn1cc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361402 609341744 /nfs/dbraw/zinc/34/17/44/609341744.db2.gz VWFKPUGZPDYJFQ-XLIONFOSSA-N 1 0 381.484 2.298 20 0 GEADRO Cn1cc(C[NH2+]CCc2ccc(CO)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361838 609345167 /nfs/dbraw/zinc/34/51/67/609345167.db2.gz RFTNNVXQXPWLHB-UHFFFAOYSA-N 1 0 389.463 2.092 20 0 GEADRO C[C@@H](NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)C1=CC[N@H+](C)CC1 ZINC000824505654 609352453 /nfs/dbraw/zinc/35/24/53/609352453.db2.gz GLOVOXFLTZQMOF-SNVBAGLBSA-N 1 0 393.398 2.240 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000823821228 609360341 /nfs/dbraw/zinc/36/03/41/609360341.db2.gz PQEKKQDEFHEWQZ-CQSZACIVSA-N 1 0 388.273 2.490 20 0 GEADRO C[N@@H+]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000826034173 609364399 /nfs/dbraw/zinc/36/43/99/609364399.db2.gz OHMKHRJFXZNAPC-UHFFFAOYSA-N 1 0 378.436 2.437 20 0 GEADRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H]1F ZINC000824953517 609373563 /nfs/dbraw/zinc/37/35/63/609373563.db2.gz FDCGLOJAHSBTOH-CMPLNLGQSA-N 1 0 378.477 2.425 20 0 GEADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H]1F ZINC000824953519 609373992 /nfs/dbraw/zinc/37/39/92/609373992.db2.gz FDCGLOJAHSBTOH-PWSUYJOCSA-N 1 0 378.477 2.425 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000826022997 609376104 /nfs/dbraw/zinc/37/61/04/609376104.db2.gz VDLKZACYJGMUHF-AWEZNQCLSA-N 1 0 378.436 2.341 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)C(C)C)cc1-c1nn[nH]n1 ZINC000824329649 609405223 /nfs/dbraw/zinc/40/52/23/609405223.db2.gz TXPURJFYLRCDID-UHFFFAOYSA-N 1 0 375.477 2.458 20 0 GEADRO COc1cc(C)c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c(C)n1 ZINC000826178199 609408270 /nfs/dbraw/zinc/40/82/70/609408270.db2.gz NQYZRWUTCHGKGC-UHFFFAOYSA-N 1 0 379.468 2.209 20 0 GEADRO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824225195 609416268 /nfs/dbraw/zinc/41/62/68/609416268.db2.gz RZYDTVOYDYVBRS-SZMVWBNQSA-N 1 0 384.484 2.013 20 0 GEADRO COc1cc(C)ccc1C[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826177987 609416899 /nfs/dbraw/zinc/41/68/99/609416899.db2.gz FEJOTFOZSXAMNO-GOSISDBHSA-N 1 0 392.463 2.469 20 0 GEADRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C1CCOCC1 ZINC000825141276 609416967 /nfs/dbraw/zinc/41/69/67/609416967.db2.gz NGSSZJIUXNLLCN-MSOLQXFVSA-N 1 0 384.484 2.157 20 0 GEADRO COc1cc(C)ccc1C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826177988 609417153 /nfs/dbraw/zinc/41/71/53/609417153.db2.gz FEJOTFOZSXAMNO-SFHVURJKSA-N 1 0 392.463 2.469 20 0 GEADRO O=C1[C@@H]([NH2+][C@H]2CCOC3(CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476792 609417363 /nfs/dbraw/zinc/41/73/63/609417363.db2.gz PJFXJLPXKRUAOQ-WMZOPIPTSA-N 1 0 396.495 2.444 20 0 GEADRO O=C1[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476614 609417557 /nfs/dbraw/zinc/41/75/57/609417557.db2.gz LCUBCBSPLKTTJQ-WBVHZDCISA-N 1 0 382.468 2.053 20 0 GEADRO CC[NH+](CC)CCOc1cc(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)ccc1OC ZINC000825411947 609452240 /nfs/dbraw/zinc/45/22/40/609452240.db2.gz ILOJPGLRLSQZTR-UHFFFAOYSA-N 1 0 399.455 2.176 20 0 GEADRO C[C@@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824477978 609455949 /nfs/dbraw/zinc/45/59/49/609455949.db2.gz DQPIBOMCZUJGPZ-OXQOHEQNSA-N 1 0 390.491 2.436 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824545947 609507416 /nfs/dbraw/zinc/50/74/16/609507416.db2.gz FNEIIGFMSXSKHT-KDOFPFPSSA-N 1 0 377.452 2.104 20 0 GEADRO Cc1c(Cl)cnc(NCC[NH+]2CCN(c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826239419 609530902 /nfs/dbraw/zinc/53/09/02/609530902.db2.gz HBEPXIQYVMEQOF-UHFFFAOYSA-N 1 0 398.902 2.458 20 0 GEADRO CC[NH+]1CCN(Cc2ccccc2CNc2nccc(C)c2-c2nn[nH]n2)CC1 ZINC000825460438 609532818 /nfs/dbraw/zinc/53/28/18/609532818.db2.gz XEPAUXOWHWAZKQ-UHFFFAOYSA-N 1 0 392.511 2.320 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000824936033 609538653 /nfs/dbraw/zinc/53/86/53/609538653.db2.gz DNUAZWGBQLNLPX-NEPJUHHUSA-N 1 0 398.920 2.061 20 0 GEADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000825284995 609540964 /nfs/dbraw/zinc/54/09/64/609540964.db2.gz FXQQLLCUNDMVBA-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824927067 609545087 /nfs/dbraw/zinc/54/50/87/609545087.db2.gz LVWZKAMYPJISGI-TXEJJXNPSA-N 1 0 398.920 2.061 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826034651 609552310 /nfs/dbraw/zinc/55/23/10/609552310.db2.gz UOYDRRPDYSOVKN-CYBMUJFWSA-N 1 0 398.920 2.015 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000446546575 649983339 /nfs/dbraw/zinc/98/33/39/649983339.db2.gz JLYPDADXSUGRGB-RYUDHWBXSA-N 1 0 383.290 2.162 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000446817173 649989243 /nfs/dbraw/zinc/98/92/43/649989243.db2.gz JRCHOZOLIPZDMS-UHFFFAOYSA-N 1 0 385.848 2.440 20 0 GEADRO C[C@@H](C[NH3+])CNS(=O)(=O)c1cc(Br)ccc1Br ZINC000447241127 650002953 /nfs/dbraw/zinc/00/29/53/650002953.db2.gz XGJVUXKSNRVQHC-ZETCQYMHSA-N 1 0 386.109 2.085 20 0 GEADRO C[C@H](C[NH3+])CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000447244973 650003286 /nfs/dbraw/zinc/00/32/86/650003286.db2.gz DQFCEHPPWHUKOH-SSDOTTSWSA-N 1 0 391.209 2.221 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000447246814 650003301 /nfs/dbraw/zinc/00/33/01/650003301.db2.gz HHBFNSIPAOPHNK-WRWORJQWSA-N 1 0 387.221 2.436 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000447244092 650003306 /nfs/dbraw/zinc/00/33/06/650003306.db2.gz KHMNWBKMFOXKFC-QWRGUYRKSA-N 1 0 377.304 2.124 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000447521259 650007176 /nfs/dbraw/zinc/00/71/76/650007176.db2.gz VUCSXHWCSFAKIM-IOASZLSFSA-N 1 0 396.329 2.460 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3ccc(I)cc32)CC[NH2+]1 ZINC000447516808 650007196 /nfs/dbraw/zinc/00/71/96/650007196.db2.gz ICWDLQBQDBDFJW-PSASIEDQSA-N 1 0 384.221 2.038 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cncc(Br)c1 ZINC000447939010 650011459 /nfs/dbraw/zinc/01/14/59/650011459.db2.gz DDJUGEQNENHSQM-CYBMUJFWSA-N 1 0 376.320 2.243 20 0 GEADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000447389880 650006235 /nfs/dbraw/zinc/00/62/35/650006235.db2.gz BMSSBNYTESEQET-PBHICJAKSA-N 1 0 388.302 2.174 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000447425402 650006614 /nfs/dbraw/zinc/00/66/14/650006614.db2.gz DELFJFMWIXGYEP-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO Cc1nc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)sc1Cc1cccc(Br)c1 ZINC000447434558 650006789 /nfs/dbraw/zinc/00/67/89/650006789.db2.gz HMRONOBSORAJDJ-QWHCGFSZSA-N 1 0 396.310 2.466 20 0 GEADRO Cc1nn(C)c(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1Br ZINC000448339084 650015370 /nfs/dbraw/zinc/01/53/70/650015370.db2.gz JMEOXMHLOXJPJI-GJZGRUSLSA-N 1 0 398.393 2.481 20 0 GEADRO Cc1nn(C)c(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1Br ZINC000448339083 650015384 /nfs/dbraw/zinc/01/53/84/650015384.db2.gz JMEOXMHLOXJPJI-GASCZTMLSA-N 1 0 398.393 2.481 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1ccc(I)cc1F ZINC000448690608 650019549 /nfs/dbraw/zinc/01/95/49/650019549.db2.gz NFTQNIQLRDDIOL-UHFFFAOYSA-N 1 0 394.228 2.128 20 0 GEADRO 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C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449381431 650039482 /nfs/dbraw/zinc/03/94/82/650039482.db2.gz YTXIRFDYGOWNHK-CYBMUJFWSA-N 1 0 399.310 2.063 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000449442468 650041031 /nfs/dbraw/zinc/04/10/31/650041031.db2.gz KWFVICZDYNLJKJ-GXFFZTMASA-N 1 0 381.311 2.437 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000449442469 650041049 /nfs/dbraw/zinc/04/10/49/650041049.db2.gz KWFVICZDYNLJKJ-MFKMUULPSA-N 1 0 381.311 2.437 20 0 GEADRO CN(C)c1nccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)n1 ZINC000449685972 650045604 /nfs/dbraw/zinc/04/56/04/650045604.db2.gz UOQZAETWWHMOIQ-CYBMUJFWSA-N 1 0 397.292 2.385 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000449596540 650043097 /nfs/dbraw/zinc/04/30/97/650043097.db2.gz BVKGEOBABXLFAA-DZGCQCFKSA-N 1 0 392.359 2.321 20 0 GEADRO C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449602086 650043574 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C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1cn[nH]c1 ZINC000453211747 650207003 /nfs/dbraw/zinc/20/70/03/650207003.db2.gz NXKNPYINRMSTPU-LLVKDONJSA-N 1 0 387.303 2.191 20 0 GEADRO COC1([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)CCOCC1 ZINC000453238322 650207269 /nfs/dbraw/zinc/20/72/69/650207269.db2.gz WEYYRIDCXWTQKQ-CQSZACIVSA-N 1 0 390.933 2.100 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)c2cn[nH]c2)c1 ZINC000453233761 650207388 /nfs/dbraw/zinc/20/73/88/650207388.db2.gz RWUQRPRQGPTDAG-NSHDSACASA-N 1 0 387.303 2.110 20 0 GEADRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1 ZINC000453274695 650207657 /nfs/dbraw/zinc/20/76/57/650207657.db2.gz KZXDNIBRWBVFAR-SJCJKPOMSA-N 1 0 383.901 2.034 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000453283113 650207898 /nfs/dbraw/zinc/20/78/98/650207898.db2.gz MDRIYYZDCLAAAL-GWCFXTLKSA-N 1 0 396.294 2.270 20 0 GEADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000453279694 650207927 /nfs/dbraw/zinc/20/79/27/650207927.db2.gz QNJIDVLNKPCMCX-DIFFPNOSSA-N 1 0 384.498 2.458 20 0 GEADRO CC[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 ZINC000453283469 650207968 /nfs/dbraw/zinc/20/79/68/650207968.db2.gz VIQFVFZGRPAHKX-KGLIPLIRSA-N 1 0 380.279 2.179 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000453281330 650207984 /nfs/dbraw/zinc/20/79/84/650207984.db2.gz KWYCBQJKGRRXDN-IINYFYTJSA-N 1 0 379.295 2.493 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000453649048 650212086 /nfs/dbraw/zinc/21/20/86/650212086.db2.gz GFIGGHIGQRCXEG-UHFFFAOYSA-N 1 0 388.693 2.499 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)ccc(F)c2Br)C1 ZINC000453599180 650209747 /nfs/dbraw/zinc/20/97/47/650209747.db2.gz CFALZVNRNHBGLV-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000453614440 650210574 /nfs/dbraw/zinc/21/05/74/650210574.db2.gz VFBLMFXTYLDJEN-VXGBXAGGSA-N 1 0 397.317 2.328 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cnc2C)C1 ZINC000453680686 650214915 /nfs/dbraw/zinc/21/49/15/650214915.db2.gz UFWOURDGZCTTQJ-ZDUSSCGKSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000453696357 650216816 /nfs/dbraw/zinc/21/68/16/650216816.db2.gz HTGWNEBKDGIFIY-ZYHUDNBSSA-N 1 0 386.265 2.434 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453748769 650222282 /nfs/dbraw/zinc/22/22/82/650222282.db2.gz XQRCCMNNRCUGPV-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cccc2Br)CC[N@@H+](C2CC2)C1 ZINC000453767472 650224394 /nfs/dbraw/zinc/22/43/94/650224394.db2.gz KVDHECMVJGNWIW-NSHDSACASA-N 1 0 398.276 2.469 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)ncc1Br ZINC000454091115 650252334 /nfs/dbraw/zinc/25/23/34/650252334.db2.gz CLYGARNNVLEGMV-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000454102261 650253273 /nfs/dbraw/zinc/25/32/73/650253273.db2.gz PCNVSQOPIDSELI-CYBMUJFWSA-N 1 0 398.301 2.337 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(F)c(Br)c1 ZINC000454480530 650267822 /nfs/dbraw/zinc/26/78/22/650267822.db2.gz GYVAJAXGAJXWQG-WCQYABFASA-N 1 0 387.297 2.194 20 0 GEADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1nn(C)cc1Br ZINC000454713031 650276910 /nfs/dbraw/zinc/27/69/10/650276910.db2.gz KWFNMOTTWJMLLX-CYBMUJFWSA-N 1 0 386.338 2.492 20 0 GEADRO C[N@H+](CCCCNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)C1CC1 ZINC000455627162 650309750 /nfs/dbraw/zinc/30/97/50/650309750.db2.gz ZMIMDGHRFNMNCD-OAHLLOKOSA-N 1 0 397.317 2.149 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1nnc2ccc(Br)cn21 ZINC000455748579 650315402 /nfs/dbraw/zinc/31/54/02/650315402.db2.gz CJLXUSLNVUYSAD-TXEJJXNPSA-N 1 0 395.305 2.876 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nnc3ccc(Br)cn32)C[C@H]1C ZINC000455766603 650317458 /nfs/dbraw/zinc/31/74/58/650317458.db2.gz VRPOEEBVOKMQHS-DGCLKSJQSA-N 1 0 395.305 2.828 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(I)cn2)C1 ZINC000455854418 650322067 /nfs/dbraw/zinc/32/20/67/650322067.db2.gz DRYQAEKAMOMQKD-ZDUSSCGKSA-N 1 0 399.276 2.490 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000455793003 650318178 /nfs/dbraw/zinc/31/81/78/650318178.db2.gz DKMVCVIUSTXPJU-GFCCVEGCSA-N 1 0 384.322 2.158 20 0 GEADRO C[C@H](NC(=O)c1ccc(I)cn1)C(C)(C)C[NH+](C)C ZINC000455809614 650319246 /nfs/dbraw/zinc/31/92/46/650319246.db2.gz ZWGIRYXLEFUHOO-JTQLQIEISA-N 1 0 375.254 2.392 20 0 GEADRO COc1c(F)cc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(OC)c1F ZINC000455882304 650325158 /nfs/dbraw/zinc/32/51/58/650325158.db2.gz IZJAFXLEURJVRP-VXGBXAGGSA-N 1 0 375.441 2.491 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(I)cn1 ZINC000455898812 650325384 /nfs/dbraw/zinc/32/53/84/650325384.db2.gz NFZPRFCDTXSOKH-OLZOCXBDSA-N 1 0 385.249 2.385 20 0 GEADRO CCS(=O)(=O)Cc1ccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000455966323 650327108 /nfs/dbraw/zinc/32/71/08/650327108.db2.gz HJKASEPJRFGRTK-HOTGVXAUSA-N 1 0 385.555 2.131 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(I)cn3)C2)C1 ZINC000456029175 650327979 /nfs/dbraw/zinc/32/79/79/650327979.db2.gz JCAUXPUVBSZRED-OAHLLOKOSA-N 1 0 385.249 2.244 20 0 GEADRO COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000456131301 650331729 /nfs/dbraw/zinc/33/17/29/650331729.db2.gz QTIQNXHBUSNZAK-GJZGRUSLSA-N 1 0 399.285 2.224 20 0 GEADRO CC(=O)N(C)CC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC000456376475 650338356 /nfs/dbraw/zinc/33/83/56/650338356.db2.gz SPLJIKYADMGJJW-LBPRGKRZSA-N 1 0 397.317 2.006 20 0 GEADRO CC[C@@H](C)[NH+]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000456543872 650347692 /nfs/dbraw/zinc/34/76/92/650347692.db2.gz FQJVHADQMROVQR-GFCCVEGCSA-N 1 0 386.290 2.057 20 0 GEADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCC[NH+]1CCC(O)CC1 ZINC000456592222 650350435 /nfs/dbraw/zinc/35/04/35/650350435.db2.gz WZXQDSURLIAIHK-UHFFFAOYSA-N 1 0 394.313 2.354 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000456707689 650355927 /nfs/dbraw/zinc/35/59/27/650355927.db2.gz DBBTZVVPOUSSGT-IVMMDQJWSA-N 1 0 383.330 2.222 20 0 GEADRO CC(C)[C@@H](C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456713581 650357130 /nfs/dbraw/zinc/35/71/30/650357130.db2.gz IRSZWQJBZDUVOJ-CJNGLKHVSA-N 1 0 389.309 2.442 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000456876351 650365176 /nfs/dbraw/zinc/36/51/76/650365176.db2.gz GRFCTCWKVSHDBN-UHFFFAOYSA-N 1 0 399.333 2.004 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000457213091 650374188 /nfs/dbraw/zinc/37/41/88/650374188.db2.gz UMMHHMVUCVROEA-UHFFFAOYSA-N 1 0 385.306 2.417 20 0 GEADRO COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500557099 650380425 /nfs/dbraw/zinc/38/04/25/650380425.db2.gz IECGDTZQMPAJSY-BXUZGUMPSA-N 1 0 391.331 2.265 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)c(I)c1 ZINC000457376664 650377089 /nfs/dbraw/zinc/37/70/89/650377089.db2.gz ZPKXZVLZYZTOFH-BHDSKKPTSA-N 1 0 388.249 2.498 20 0 GEADRO COc1sc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1Br ZINC000500460090 650377810 /nfs/dbraw/zinc/37/78/10/650377810.db2.gz HCIUZRYJWHNAQH-SKDRFNHKSA-N 1 0 397.360 2.327 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000500568444 650380665 /nfs/dbraw/zinc/38/06/65/650380665.db2.gz VSEWBJVNIDMRSC-UKRRQHHQSA-N 1 0 380.432 2.435 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000500494495 650379524 /nfs/dbraw/zinc/37/95/24/650379524.db2.gz GNFGWKPNSZNIQX-DZGCQCFKSA-N 1 0 380.432 2.435 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000500509004 650379841 /nfs/dbraw/zinc/37/98/41/650379841.db2.gz RJLAQZLUKAHDGS-QGZVFWFLSA-N 1 0 385.961 2.439 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000500568445 650380688 /nfs/dbraw/zinc/38/06/88/650380688.db2.gz VSEWBJVNIDMRSC-ZFWWWQNUSA-N 1 0 380.432 2.435 20 0 GEADRO O=C(NCc1csc(Br)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000457799356 650385014 /nfs/dbraw/zinc/38/50/14/650385014.db2.gz IIIZMHJYDJJHCO-GFCCVEGCSA-N 1 0 376.320 2.157 20 0 GEADRO O=C(NCc1cc(Br)cs1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457817590 650385375 /nfs/dbraw/zinc/38/53/75/650385375.db2.gz MKDFENBUWCGNKG-LBPRGKRZSA-N 1 0 376.320 2.157 20 0 GEADRO O=C(NCc1csc(Br)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000457820578 650385688 /nfs/dbraw/zinc/38/56/88/650385688.db2.gz XHIMAMJMJIHRQF-GFCCVEGCSA-N 1 0 376.320 2.157 20 0 GEADRO CCNS(=O)(=O)c1cccc(CNC(=O)c2sccc2C[NH+](C)C)c1 ZINC000457899807 650388937 /nfs/dbraw/zinc/38/89/37/650388937.db2.gz VWABXCAWVZQAJB-UHFFFAOYSA-N 1 0 381.523 2.038 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(F)ccc2Br)C[C@H](C)[N@H+]1CCO ZINC000457941541 650389964 /nfs/dbraw/zinc/38/99/64/650389964.db2.gz WOGOUJKSEFGSRL-TXEJJXNPSA-N 1 0 388.281 2.185 20 0 GEADRO Cc1ncc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000501478995 650392706 /nfs/dbraw/zinc/39/27/06/650392706.db2.gz ZCOHHRSORIFWIA-UHFFFAOYSA-N 1 0 378.523 2.480 20 0 GEADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NCC1CC[NH+](CCO)CC1 ZINC000458370513 650401154 /nfs/dbraw/zinc/40/11/54/650401154.db2.gz PLTUPRCAJWXJHP-UHFFFAOYSA-N 1 0 390.311 2.376 20 0 GEADRO Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)ccc1C[NH+](C)C ZINC000458284705 650399560 /nfs/dbraw/zinc/39/95/60/650399560.db2.gz NKRYYYUJRKCLIK-CYBMUJFWSA-N 1 0 381.523 2.424 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(S(C)(=O)=O)cs2)cc1F ZINC000458301155 650399682 /nfs/dbraw/zinc/39/96/82/650399682.db2.gz VJGQONMIHFZCFB-UHFFFAOYSA-N 1 0 386.470 2.483 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000502007589 650400219 /nfs/dbraw/zinc/40/02/19/650400219.db2.gz MFGWPCCGJOKCJJ-UONOGXRCSA-N 1 0 388.339 2.039 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000502044700 650400459 /nfs/dbraw/zinc/40/04/59/650400459.db2.gz OGMQVHDXAZWGKU-LBPRGKRZSA-N 1 0 393.962 2.061 20 0 GEADRO Cc1cccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1Br ZINC000458675069 650407012 /nfs/dbraw/zinc/40/70/12/650407012.db2.gz ATSWTNMPAYDEMX-OAHLLOKOSA-N 1 0 384.318 2.404 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000502694008 650410183 /nfs/dbraw/zinc/41/01/83/650410183.db2.gz LEBQKDVCDYHEID-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C)C[C@@H]1[NH+](C)C ZINC000503220856 650416180 /nfs/dbraw/zinc/41/61/80/650416180.db2.gz QYHORUARHFOBAQ-QWHCGFSZSA-N 1 0 393.372 2.424 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cc(F)ccc3Br)[C@H]2C1 ZINC000502714371 650410616 /nfs/dbraw/zinc/41/06/16/650410616.db2.gz DYCVPQIKZWGLHR-JKSUJKDBSA-N 1 0 385.277 2.452 20 0 GEADRO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000502975622 650413349 /nfs/dbraw/zinc/41/33/49/650413349.db2.gz VYKALPUTAZBBPE-OAHLLOKOSA-N 1 0 381.318 2.375 20 0 GEADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000503080203 650414395 /nfs/dbraw/zinc/41/43/95/650414395.db2.gz IXIWMGKGWDACOU-UHFFFAOYSA-N 1 0 390.343 2.300 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503152100 650414851 /nfs/dbraw/zinc/41/48/51/650414851.db2.gz MOTHHEHTROBYLV-UHFFFAOYSA-N 1 0 391.256 2.451 20 0 GEADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(CC)CC(=O)NCc1cccs1 ZINC000503459001 650418043 /nfs/dbraw/zinc/41/80/43/650418043.db2.gz IJSMONROCVTVOZ-HZPDHXFCSA-N 1 0 383.583 2.477 20 0 GEADRO C[C@@H]1CN(Cc2ccc(I)cc2Cl)CC[N@@H+]1CCO ZINC000503560755 650419909 /nfs/dbraw/zinc/41/99/09/650419909.db2.gz ZWRHWTYEPYKYNB-LLVKDONJSA-N 1 0 394.684 2.443 20 0 GEADRO C[C@H](CNC(=O)Cc1c(F)ccc(Br)c1F)N1CC[NH+](C)CC1 ZINC000503618862 650420601 /nfs/dbraw/zinc/42/06/01/650420601.db2.gz OZEOWNMECIUGSQ-LLVKDONJSA-N 1 0 390.272 2.022 20 0 GEADRO C[N@@H+](Cc1cc(Cl)cc(Br)c1)C[C@H](O)CN1CCOCC1 ZINC000459338107 650422921 /nfs/dbraw/zinc/42/29/21/650422921.db2.gz FVBRPXXPSDYDPR-HNNXBMFYSA-N 1 0 377.710 2.227 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1cccc(O)c1Br ZINC000459399374 650423773 /nfs/dbraw/zinc/42/37/73/650423773.db2.gz LQIQCQQTFHVQSC-CQSZACIVSA-N 1 0 384.318 2.187 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H]1Sc1ccccc1 ZINC000459445735 650424568 /nfs/dbraw/zinc/42/45/68/650424568.db2.gz SJKOQTSVXLCOGS-DZOHQFGASA-N 1 0 384.567 2.196 20 0 GEADRO CCOc1cc(C[NH2+][C@@]2(CC(=O)OC)CCOC2)cc(Br)c1O ZINC000459483102 650425889 /nfs/dbraw/zinc/42/58/89/650425889.db2.gz RPSUWEBOCVIBOZ-MRXNPFEDSA-N 1 0 388.258 2.365 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cnc(C2CC2)nc1)c1ccc(F)cc1Cl ZINC000459527300 650427507 /nfs/dbraw/zinc/42/75/07/650427507.db2.gz BNLVTWXOLABJSL-UHFFFAOYSA-N 1 0 384.864 2.215 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@@H](C)C1 ZINC000504129060 650427551 /nfs/dbraw/zinc/42/75/51/650427551.db2.gz ROQXTZAYRZISHY-GZIXRCOHSA-N 1 0 396.329 2.402 20 0 GEADRO CN(C)S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459536291 650427620 /nfs/dbraw/zinc/42/76/20/650427620.db2.gz KWVKUQPCEVSXIM-GJZGRUSLSA-N 1 0 379.448 2.327 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)[C@H]1SC ZINC000459544102 650428146 /nfs/dbraw/zinc/42/81/46/650428146.db2.gz CSNHMOCKSAFYJA-SQWLQELKSA-N 1 0 392.974 2.425 20 0 GEADRO OC[C@@]1(O)CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000459626506 650429601 /nfs/dbraw/zinc/42/96/01/650429601.db2.gz CMKZMLIHSFGOQO-QGZVFWFLSA-N 1 0 378.270 2.225 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000459893435 650435065 /nfs/dbraw/zinc/43/50/65/650435065.db2.gz GOHHIHVJXTVCPW-UHFFFAOYSA-N 1 0 390.709 2.081 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)Cn1ccnn1 ZINC000459727323 650431531 /nfs/dbraw/zinc/43/15/31/650431531.db2.gz YRHPOYPILHRSGS-NSHDSACASA-N 1 0 379.180 2.210 20 0 GEADRO CC[NH+](CC)CC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000505134511 650435277 /nfs/dbraw/zinc/43/52/77/650435277.db2.gz NZDPQYXSQZPENX-UHFFFAOYSA-N 1 0 380.290 2.330 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000505537649 650438704 /nfs/dbraw/zinc/43/87/04/650438704.db2.gz CVFFPVLOMDGUEE-QGZVFWFLSA-N 1 0 381.318 2.468 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCn2cc(Br)cn2)C1 ZINC000460249624 650440631 /nfs/dbraw/zinc/44/06/31/650440631.db2.gz FTTKXVNOOJHJBN-AWEZNQCLSA-N 1 0 386.338 2.407 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000505793940 650441030 /nfs/dbraw/zinc/44/10/30/650441030.db2.gz DRJRHONCCLFZDG-UHFFFAOYSA-N 1 0 381.782 2.288 20 0 GEADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000506374276 650444344 /nfs/dbraw/zinc/44/43/44/650444344.db2.gz ZVFHLWMJNCCUAH-LLVKDONJSA-N 1 0 379.452 2.372 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000506429310 650445094 /nfs/dbraw/zinc/44/50/94/650445094.db2.gz NPBFCTRZWABLOP-WMLDXEAASA-N 1 0 386.334 2.382 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2nn(C)cc2Br)c1 ZINC000506529531 650445669 /nfs/dbraw/zinc/44/56/69/650445669.db2.gz ATRGRCXWYIJCDR-UHFFFAOYSA-N 1 0 395.301 2.395 20 0 GEADRO C[C@H](NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1)C(=O)N(C)C ZINC000506906982 650451924 /nfs/dbraw/zinc/45/19/24/650451924.db2.gz BJHHPBGUQUPOIH-LBPRGKRZSA-N 1 0 382.302 2.011 20 0 GEADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CSC[C@H]2C)cc1 ZINC000507210684 650456384 /nfs/dbraw/zinc/45/63/84/650456384.db2.gz KOWGBPMIMLIIPL-DVOMOZLQSA-N 1 0 385.555 2.041 20 0 GEADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000461899971 650462311 /nfs/dbraw/zinc/46/23/11/650462311.db2.gz JHPRADAOTGSSPE-IUODEOHRSA-N 1 0 388.917 2.113 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000462016526 650464099 /nfs/dbraw/zinc/46/40/99/650464099.db2.gz QYZSSYPKCKODLM-OAHLLOKOSA-N 1 0 399.285 2.076 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3sc(C(F)(F)F)nc3C)C2)CC1 ZINC000462053073 650465151 /nfs/dbraw/zinc/46/51/51/650465151.db2.gz LDZZIEKXMPUGLH-GFCCVEGCSA-N 1 0 376.448 2.322 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462095261 650467578 /nfs/dbraw/zinc/46/75/78/650467578.db2.gz ZYYCZAJZSPIZIP-CQSZACIVSA-N 1 0 375.332 2.395 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC000462142969 650470928 /nfs/dbraw/zinc/47/09/28/650470928.db2.gz VTIPRMIPHLBVHU-ZDUSSCGKSA-N 1 0 382.507 2.334 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)CCc2ccccc2Br)CC[N@@H+]1C ZINC000462111806 650469411 /nfs/dbraw/zinc/46/94/11/650469411.db2.gz NYYUEYIXLAZUHX-JSGCOSHPSA-N 1 0 375.332 2.394 20 0 GEADRO CC1(c2cccc(Br)c2)CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000509078944 650486348 /nfs/dbraw/zinc/48/63/48/650486348.db2.gz NREBUYGHGAHZIZ-GOSISDBHSA-N 1 0 397.357 2.496 20 0 GEADRO C[NH+](C)[C@H](CNc1ncnc2ccc(I)cc21)C1CC1 ZINC000462826792 650490825 /nfs/dbraw/zinc/49/08/25/650490825.db2.gz TWJWLDQIGUTIER-CQSZACIVSA-N 1 0 382.249 2.987 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cccc(SC)c2)CC1 ZINC000509256632 650491740 /nfs/dbraw/zinc/49/17/40/650491740.db2.gz UHKQHJFIGRGTED-UHFFFAOYSA-N 1 0 379.507 2.323 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000462893798 650492047 /nfs/dbraw/zinc/49/20/47/650492047.db2.gz MPCBHANXUBWLDH-UHFFFAOYSA-N 1 0 392.253 2.122 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000463324454 650493174 /nfs/dbraw/zinc/49/31/74/650493174.db2.gz HPEJEVKVKWRWER-PHIMTYICSA-N 1 0 386.290 2.087 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(C)cc2Cl)CC1 ZINC000509564459 650496207 /nfs/dbraw/zinc/49/62/07/650496207.db2.gz SGIYDNSANLHVGC-UHFFFAOYSA-N 1 0 388.917 2.202 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)CC[N@@H+]1C ZINC000465711932 650499204 /nfs/dbraw/zinc/49/92/04/650499204.db2.gz HGJVOWXCGWHWBR-ZYHUDNBSSA-N 1 0 384.274 2.460 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)CC[N@@H+]1C ZINC000465711929 650499219 /nfs/dbraw/zinc/49/92/19/650499219.db2.gz HGJVOWXCGWHWBR-CMPLNLGQSA-N 1 0 384.274 2.460 20 0 GEADRO Cc1cc(NC(=O)CSc2nnnn2CC[NH+](C)C)ccc1Br ZINC000510068456 650506179 /nfs/dbraw/zinc/50/61/79/650506179.db2.gz DFCFFWWMRUQLKK-UHFFFAOYSA-N 1 0 399.318 2.036 20 0 GEADRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000510086268 650506617 /nfs/dbraw/zinc/50/66/17/650506617.db2.gz MOMQPARFTGDLDW-UHFFFAOYSA-N 1 0 375.285 2.272 20 0 GEADRO CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000510111666 650506943 /nfs/dbraw/zinc/50/69/43/650506943.db2.gz FPFFHJJRKCVRLA-QWRGUYRKSA-N 1 0 376.238 2.321 20 0 GEADRO CS(=O)(=O)NCC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000510226934 650508963 /nfs/dbraw/zinc/50/89/63/650508963.db2.gz GVFCEJWJLRGVLR-UHFFFAOYSA-N 1 0 380.432 2.389 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C)cc1Br ZINC000470601673 650513398 /nfs/dbraw/zinc/51/33/98/650513398.db2.gz QLRIHQJRBFEMKG-NSHDSACASA-N 1 0 377.304 2.172 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cncc(Br)c1 ZINC000470613392 650514213 /nfs/dbraw/zinc/51/42/13/650514213.db2.gz QFRXBZZPOXWWNA-UPJWGTAASA-N 1 0 390.347 2.489 20 0 GEADRO CCS(=O)(=O)NCCC[N@H+](C)CCOc1ccc(Br)cc1 ZINC000510570514 650514667 /nfs/dbraw/zinc/51/46/67/650514667.db2.gz NEJLPLIEYOKIOK-UHFFFAOYSA-N 1 0 379.320 2.089 20 0 GEADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510762156 650518520 /nfs/dbraw/zinc/51/85/20/650518520.db2.gz IDNBCVIEKPBGHX-BFHYXJOUSA-N 1 0 385.555 2.186 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Br ZINC000510781407 650518884 /nfs/dbraw/zinc/51/88/84/650518884.db2.gz UBMYFJAVEMDZLK-KBPBESRZSA-N 1 0 391.331 2.408 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510944137 650521590 /nfs/dbraw/zinc/52/15/90/650521590.db2.gz MUXLIXMHEVAATK-CYBMUJFWSA-N 1 0 381.464 2.449 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000473990718 650526415 /nfs/dbraw/zinc/52/64/15/650526415.db2.gz AFPRCERPEVJLOE-CVEARBPZSA-N 1 0 396.329 2.290 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCCOc1ncc(Cl)cc1Cl ZINC000474260016 650529239 /nfs/dbraw/zinc/52/92/39/650529239.db2.gz RJSPXBFRUAQRCI-UHFFFAOYSA-N 1 0 391.299 2.179 20 0 GEADRO CCO[C@H]1C[C@@H]([N@H+](C)CCNS(=O)(=O)CCCOC)C12CCCCC2 ZINC000475352472 650532198 /nfs/dbraw/zinc/53/21/98/650532198.db2.gz DFAFIKLEMFPBAD-SJORKVTESA-N 1 0 376.563 2.002 20 0 GEADRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000511455101 650537598 /nfs/dbraw/zinc/53/75/98/650537598.db2.gz RCMCHQLQDBCRQI-SSDMNJCBSA-N 1 0 376.831 2.362 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000511604830 650538988 /nfs/dbraw/zinc/53/89/88/650538988.db2.gz NKZZXLXLTOFYHN-ZIAGYGMSSA-N 1 0 388.249 2.383 20 0 GEADRO COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000476338096 650548547 /nfs/dbraw/zinc/54/85/47/650548547.db2.gz BFMKFHQIVGCWGS-HZPDHXFCSA-N 1 0 388.555 2.173 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000512313827 650545943 /nfs/dbraw/zinc/54/59/43/650545943.db2.gz LSJURHRRAWPJSH-UHFFFAOYSA-N 1 0 395.301 2.280 20 0 GEADRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000512150073 650546058 /nfs/dbraw/zinc/54/60/58/650546058.db2.gz UGICEPRUUAQPDC-GUYCJALGSA-N 1 0 385.936 2.464 20 0 GEADRO O=C(CCc1cc(Br)cs1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512354514 650546838 /nfs/dbraw/zinc/54/68/38/650546838.db2.gz DZZCPKNSCZIDHF-ZDUSSCGKSA-N 1 0 375.332 2.406 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512395552 650547553 /nfs/dbraw/zinc/54/75/53/650547553.db2.gz XDCVNPXCYHDIQE-KBPBESRZSA-N 1 0 385.302 2.179 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(Br)c1 ZINC000512390040 650547560 /nfs/dbraw/zinc/54/75/60/650547560.db2.gz XQIIPXONJMGPFS-HUUCEWRRSA-N 1 0 399.329 2.488 20 0 GEADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ncccc2Br)cc1 ZINC000476276210 650547575 /nfs/dbraw/zinc/54/75/75/650547575.db2.gz UOJZGVIJEKWUGS-CYBMUJFWSA-N 1 0 394.269 2.398 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(O)ccc1Br ZINC000512849800 650555234 /nfs/dbraw/zinc/55/52/34/650555234.db2.gz GVWJWTFGHVCQEW-XHDPSFHLSA-N 1 0 391.331 2.352 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c(OC(F)F)c1 ZINC000513018108 650556672 /nfs/dbraw/zinc/55/66/72/650556672.db2.gz VYAOYUVMIQYORM-ZDUSSCGKSA-N 1 0 378.441 2.200 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000476845937 650561131 /nfs/dbraw/zinc/56/11/31/650561131.db2.gz JSTJUSZABACLSE-UONOGXRCSA-N 1 0 399.329 2.304 20 0 GEADRO COc1cc(Br)c(CN(C)C2CC[NH+](CCO)CC2)cc1OC ZINC000513579281 650565072 /nfs/dbraw/zinc/56/50/72/650565072.db2.gz UXTQPICLAAKCJK-UHFFFAOYSA-N 1 0 387.318 2.355 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000477098652 650568530 /nfs/dbraw/zinc/56/85/30/650568530.db2.gz KIIGIQJLRCEGTO-LLVKDONJSA-N 1 0 388.281 2.051 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000477030510 650566767 /nfs/dbraw/zinc/56/67/67/650566767.db2.gz FLZCNULAVJHTTM-NXEZZACHSA-N 1 0 380.436 2.186 20 0 GEADRO COC(=O)c1csc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000513660352 650567263 /nfs/dbraw/zinc/56/72/63/650567263.db2.gz HTGPCHCEGRIXTE-CYBMUJFWSA-N 1 0 382.507 2.472 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000477061845 650567350 /nfs/dbraw/zinc/56/73/50/650567350.db2.gz FVIIJVPFNBUKNM-ZDUSSCGKSA-N 1 0 384.318 2.254 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000514672879 650576218 /nfs/dbraw/zinc/57/62/18/650576218.db2.gz WXHLPIYXLDFISA-GFCCVEGCSA-N 1 0 377.304 2.268 20 0 GEADRO C[NH+](C)CCOc1cnccc1CNS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000514812709 650579835 /nfs/dbraw/zinc/57/98/35/650579835.db2.gz PVNPGBRAGGXRLE-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)CN1CCOCC1 ZINC000514867858 650581657 /nfs/dbraw/zinc/58/16/57/650581657.db2.gz SBASYYLAODVUDJ-AWEZNQCLSA-N 1 0 394.317 2.088 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(Br)s1 ZINC000478531156 650586606 /nfs/dbraw/zinc/58/66/06/650586606.db2.gz VLGUJWYPNUKTBU-UHFFFAOYSA-N 1 0 376.320 2.041 20 0 GEADRO Cc1cccc(OC[C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000514933791 650583551 /nfs/dbraw/zinc/58/35/51/650583551.db2.gz YPLOMSWVBYRARW-MRXNPFEDSA-N 1 0 383.897 2.452 20 0 GEADRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)CCC2 ZINC000515013488 650584599 /nfs/dbraw/zinc/58/45/99/650584599.db2.gz GIADIUKTXIUZCM-KBPBESRZSA-N 1 0 386.587 2.333 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N(C)Cc1ccc(F)cc1Br ZINC000478906779 650593125 /nfs/dbraw/zinc/59/31/25/650593125.db2.gz ZTEPOTPZNKLUKG-UHFFFAOYSA-N 1 0 376.270 2.308 20 0 GEADRO C[C@@H](CNC(=O)N(CCO)Cc1ccc(Br)s1)[N@H+](C)C1CC1 ZINC000478597654 650588382 /nfs/dbraw/zinc/58/83/82/650588382.db2.gz ZOKIFZOFQZJETF-NSHDSACASA-N 1 0 390.347 2.497 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000478711420 650590443 /nfs/dbraw/zinc/59/04/43/650590443.db2.gz PHPKYUSPXBMUHM-KOLCDFICSA-N 1 0 377.666 2.056 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000515714024 650593452 /nfs/dbraw/zinc/59/34/52/650593452.db2.gz DYOWJNPZHHVVGQ-GFCCVEGCSA-N 1 0 384.468 2.384 20 0 GEADRO CSC1(CNC(=O)NCc2cn(C)nc2C(F)(F)F)CC[NH+](C)CC1 ZINC000515722087 650593497 /nfs/dbraw/zinc/59/34/97/650593497.db2.gz IJHWVQPCYGTNSY-UHFFFAOYSA-N 1 0 379.452 2.066 20 0 GEADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)CC3(CS(C)(=O)=O)CC3)sc2C1 ZINC000515348362 650592023 /nfs/dbraw/zinc/59/20/23/650592023.db2.gz HMMMBRXNGZLXEZ-UHFFFAOYSA-N 1 0 385.555 2.453 20 0 GEADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)CCc2ccccc2Br)C1 ZINC000515724994 650593912 /nfs/dbraw/zinc/59/39/12/650593912.db2.gz LQERZDVMLLMHIB-ZDUSSCGKSA-N 1 0 375.332 2.253 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000479016022 650594099 /nfs/dbraw/zinc/59/40/99/650594099.db2.gz GOIGGMWVNYMQCU-UHFFFAOYSA-N 1 0 382.302 2.408 20 0 GEADRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479053295 650595350 /nfs/dbraw/zinc/59/53/50/650595350.db2.gz FCAXPFMSEVNGPV-WDEREUQCSA-N 1 0 396.340 2.012 20 0 GEADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCCN1CC[NH+](C)CC1 ZINC000516387806 650597233 /nfs/dbraw/zinc/59/72/33/650597233.db2.gz JRSLRDFJOLFOEB-UHFFFAOYSA-N 1 0 393.329 2.145 20 0 GEADRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479319708 650601280 /nfs/dbraw/zinc/60/12/80/650601280.db2.gz GZWHYBLUTSDPHA-GHMZBOCLSA-N 1 0 399.340 2.325 20 0 GEADRO Cc1ccc(I)cc1C(=O)NCCNc1cc[nH+]cc1 ZINC000479338273 650601536 /nfs/dbraw/zinc/60/15/36/650601536.db2.gz VOWMFDSALZYVCE-UHFFFAOYSA-N 1 0 381.217 2.258 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000479344601 650601649 /nfs/dbraw/zinc/60/16/49/650601649.db2.gz LNDHRHIIHZAVQJ-IUODEOHRSA-N 1 0 384.318 2.318 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)COc1cccc(I)c1 ZINC000518180823 650602229 /nfs/dbraw/zinc/60/22/29/650602229.db2.gz SPNGVRRAKGKFGC-UHFFFAOYSA-N 1 0 376.238 2.304 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000518531985 650606233 /nfs/dbraw/zinc/60/62/33/650606233.db2.gz MPBXYFKZSTZBFS-AWEZNQCLSA-N 1 0 397.313 2.214 20 0 GEADRO Cc1nc2cc(Br)cc(NC(=O)NC[C@H]3C[NH2+]CCCO3)c2o1 ZINC000520199541 650613686 /nfs/dbraw/zinc/61/36/86/650613686.db2.gz XCLIDRWOBCANJY-LLVKDONJSA-N 1 0 383.246 2.399 20 0 GEADRO C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000479761477 650609429 /nfs/dbraw/zinc/60/94/29/650609429.db2.gz BHBAOXOUCMXRLP-CYBMUJFWSA-N 1 0 389.949 2.101 20 0 GEADRO C[C@H]1[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CCC[N@@H+]1C ZINC000479771836 650609808 /nfs/dbraw/zinc/60/98/08/650609808.db2.gz UUCUVSBMDQUENL-WCQYABFASA-N 1 0 390.347 2.497 20 0 GEADRO CCCCN(C(=O)CN(C)C1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000519697069 650610704 /nfs/dbraw/zinc/61/07/04/650610704.db2.gz YZDRTHWPCUDQLP-OAHLLOKOSA-N 1 0 380.501 2.312 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000519706331 650611128 /nfs/dbraw/zinc/61/11/28/650611128.db2.gz JNPDEYZWZZJQNA-JTQLQIEISA-N 1 0 395.294 2.359 20 0 GEADRO CN(C)C(=O)CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480158943 650616611 /nfs/dbraw/zinc/61/66/11/650616611.db2.gz ANSFFPRPXKZDEV-ZDUSSCGKSA-N 1 0 389.315 2.126 20 0 GEADRO CSCC[C@@H](CO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480179625 650617221 /nfs/dbraw/zinc/61/72/21/650617221.db2.gz KKCBIRYLAIIMSP-WCQYABFASA-N 1 0 394.356 2.371 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000521461455 650617693 /nfs/dbraw/zinc/61/76/93/650617693.db2.gz NSJRQCOLTIFPEX-UHFFFAOYSA-N 1 0 399.563 2.099 20 0 GEADRO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCSC2)nnn1-c1cccc(Cl)c1 ZINC000480251377 650618491 /nfs/dbraw/zinc/61/84/91/650618491.db2.gz BWPWWRKBCKVBJT-QGZVFWFLSA-N 1 0 379.917 2.396 20 0 GEADRO CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000480284468 650618733 /nfs/dbraw/zinc/61/87/33/650618733.db2.gz NSLMPDFVHMGMQA-QGZVFWFLSA-N 1 0 385.555 2.005 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)CCSC1 ZINC000480275681 650618734 /nfs/dbraw/zinc/61/87/34/650618734.db2.gz QNNIAQKGAKHSHL-IEBWSBKVSA-N 1 0 379.595 2.330 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480277953 650618766 /nfs/dbraw/zinc/61/87/66/650618766.db2.gz LEYMJLPEGPSZFX-OAHLLOKOSA-N 1 0 387.347 2.077 20 0 GEADRO Cn1cc(C[NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)c(=O)n(C)c1=O ZINC000480482968 650623318 /nfs/dbraw/zinc/62/33/18/650623318.db2.gz NQGSVLRNRQWQHC-UHFFFAOYSA-N 1 0 381.263 2.204 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000480571142 650624747 /nfs/dbraw/zinc/62/47/47/650624747.db2.gz HFFFERPMQOCXQG-NWDGAFQWSA-N 1 0 388.281 2.185 20 0 GEADRO CC[N@H+](CCNC(=O)CCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000522420710 650625113 /nfs/dbraw/zinc/62/51/13/650625113.db2.gz VTNRJYIELOZQQC-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1ccc(Br)cc1 ZINC000522689665 650626833 /nfs/dbraw/zinc/62/68/33/650626833.db2.gz MJWXJTJEDZHLSE-HOCLYGCPSA-N 1 0 390.285 2.024 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000480691235 650627966 /nfs/dbraw/zinc/62/79/66/650627966.db2.gz VMMZTQIJINZFOW-UHFFFAOYSA-N 1 0 377.279 2.437 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc(I)c1 ZINC000480694923 650628454 /nfs/dbraw/zinc/62/84/54/650628454.db2.gz CCOQZLZQIOSNCH-LLVKDONJSA-N 1 0 396.294 2.300 20 0 GEADRO CC[N@H+](CCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)C1CC1 ZINC000523609589 650636481 /nfs/dbraw/zinc/63/64/81/650636481.db2.gz AHHLBFJUJSQDAK-UHFFFAOYSA-N 1 0 385.555 2.137 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000523646380 650636799 /nfs/dbraw/zinc/63/67/99/650636799.db2.gz FVRWQVNYXFRGFG-GFCCVEGCSA-N 1 0 385.306 2.335 20 0 GEADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2n[nH]cc2Br)o1 ZINC000524138696 650638931 /nfs/dbraw/zinc/63/89/31/650638931.db2.gz BKQFRVMLYXTCQY-UHFFFAOYSA-N 1 0 384.278 2.347 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cc(Br)ccc2F)CCSC1 ZINC000481335123 650644202 /nfs/dbraw/zinc/64/42/02/650644202.db2.gz GUAYSGGSGPHBME-ZDUSSCGKSA-N 1 0 397.335 2.304 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(F)cc2Br)CCSC1 ZINC000481336638 650644251 /nfs/dbraw/zinc/64/42/51/650644251.db2.gz GQAKGCUSUHOYEW-ZDUSSCGKSA-N 1 0 397.335 2.304 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)CCSC1 ZINC000481338588 650644516 /nfs/dbraw/zinc/64/45/16/650644516.db2.gz KPHIRLVACNWCNF-CYBMUJFWSA-N 1 0 384.445 2.301 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(F)c(Br)c2)CCSC1 ZINC000481349510 650644660 /nfs/dbraw/zinc/64/46/60/650644660.db2.gz RTPVDEKAYFAZTI-ZDUSSCGKSA-N 1 0 397.335 2.304 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000524721197 650645530 /nfs/dbraw/zinc/64/55/30/650645530.db2.gz XSFRVKOOUJCZMI-KBPBESRZSA-N 1 0 394.313 2.260 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000524776118 650646308 /nfs/dbraw/zinc/64/63/08/650646308.db2.gz VBQQACNUGHHIRY-ZIAGYGMSSA-N 1 0 394.313 2.260 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000525181611 650650735 /nfs/dbraw/zinc/65/07/35/650650735.db2.gz YBWSQTOFJKBYOO-LBPRGKRZSA-N 1 0 385.917 2.187 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000525850373 650659726 /nfs/dbraw/zinc/65/97/26/650659726.db2.gz SRWDIJNHCCCLMC-JKSUJKDBSA-N 1 0 382.302 2.327 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482358925 650664592 /nfs/dbraw/zinc/66/45/92/650664592.db2.gz FJLWXJNEQBZMEU-ZIAGYGMSSA-N 1 0 378.826 2.488 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000482710582 650667006 /nfs/dbraw/zinc/66/70/06/650667006.db2.gz QMZFPMILBKGLQU-CQSZACIVSA-N 1 0 385.339 2.326 20 0 GEADRO Cc1nccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000527089266 650668985 /nfs/dbraw/zinc/66/89/85/650668985.db2.gz LBXXCOBJHXNABW-ZDUSSCGKSA-N 1 0 397.317 2.197 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H](O)Cc2c(F)cccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000483387893 650678008 /nfs/dbraw/zinc/67/80/08/650678008.db2.gz CIFBDAXDMQNXNF-YESZJQIVSA-N 1 0 386.920 2.421 20 0 GEADRO CS[C@H]1CN(C(=O)c2cnn(CCC(F)(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000483393857 650678216 /nfs/dbraw/zinc/67/82/16/650678216.db2.gz KLUJWPFYQQOBLX-KGLIPLIRSA-N 1 0 376.448 2.487 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CCSC1 ZINC000483954502 650683589 /nfs/dbraw/zinc/68/35/89/650683589.db2.gz KZQCXMORURJCGN-MRXNPFEDSA-N 1 0 396.563 2.364 20 0 GEADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000527752871 650682028 /nfs/dbraw/zinc/68/20/28/650682028.db2.gz IYGYJCCGLIUOLO-QGZVFWFLSA-N 1 0 387.293 2.294 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1csc(Br)c1 ZINC000527756178 650682454 /nfs/dbraw/zinc/68/24/54/650682454.db2.gz XLWQWIRURSHKCF-HNNXBMFYSA-N 1 0 375.332 2.216 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000527757570 650682589 /nfs/dbraw/zinc/68/25/89/650682589.db2.gz KKYPWGQZNQXNDF-NVXWUHKLSA-N 1 0 388.302 2.494 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000483896258 650682769 /nfs/dbraw/zinc/68/27/69/650682769.db2.gz KAPRUPKMATZWNX-VIFPVBQESA-N 1 0 386.677 2.394 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000483927132 650683104 /nfs/dbraw/zinc/68/31/04/650683104.db2.gz DWPHGPCEMYYOTP-MRXNPFEDSA-N 1 0 381.929 2.197 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000484646319 650688498 /nfs/dbraw/zinc/68/84/98/650688498.db2.gz IQYMJDPWISWDSW-ZIAGYGMSSA-N 1 0 375.238 2.310 20 0 GEADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]3C[C@]3(C)Br)cc21 ZINC000528311215 650688580 /nfs/dbraw/zinc/68/85/80/650688580.db2.gz KZEVYULWDKAGCU-ZBEGNZNMSA-N 1 0 382.258 2.268 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](O)COc1ccccc1Br ZINC000483995876 650683997 /nfs/dbraw/zinc/68/39/97/650683997.db2.gz UYYCCUAGGMDVJI-MCIONIFRSA-N 1 0 385.302 2.178 20 0 GEADRO C[C@]1(Br)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000528036804 650684587 /nfs/dbraw/zinc/68/45/87/650684587.db2.gz XVHMQFUPRHTTNP-QAPCUYQASA-N 1 0 394.313 2.496 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2sc3ncccc3c2Cl)C1 ZINC000528368745 650691281 /nfs/dbraw/zinc/69/12/81/650691281.db2.gz WCNQOIFQCIZICA-LLVKDONJSA-N 1 0 380.901 2.267 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000528685382 650697861 /nfs/dbraw/zinc/69/78/61/650697861.db2.gz CIGKHXPAQPJTKP-VIFPVBQESA-N 1 0 398.179 2.458 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485617051 650697991 /nfs/dbraw/zinc/69/79/91/650697991.db2.gz CVIFPWDZGGWWSE-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000485304297 650694943 /nfs/dbraw/zinc/69/49/43/650694943.db2.gz QSOFUPTZETYAKL-KKUMJFAQSA-N 1 0 398.345 2.477 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cc(Cl)c(Br)cc1F ZINC000528698519 650698272 /nfs/dbraw/zinc/69/82/72/650698272.db2.gz VALMBQQVXXSTPX-QMMMGPOBSA-N 1 0 379.661 2.267 20 0 GEADRO CC(C)[C@H](CNC(=O)c1cc(O)cc(Br)c1)[NH+]1CCN(C)CC1 ZINC000528556311 650696698 /nfs/dbraw/zinc/69/66/98/650696698.db2.gz WICGMHJWNAODAP-INIZCTEOSA-N 1 0 384.318 2.157 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000485688840 650699031 /nfs/dbraw/zinc/69/90/31/650699031.db2.gz BHSBCYKAJPIVOJ-TZMCWYRMSA-N 1 0 390.274 2.073 20 0 GEADRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000485819251 650701072 /nfs/dbraw/zinc/70/10/72/650701072.db2.gz WUIAUSASKCQVNL-GFCCVEGCSA-N 1 0 379.917 2.160 20 0 GEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1C[C@@]1(C)Br ZINC000529355004 650703624 /nfs/dbraw/zinc/70/36/24/650703624.db2.gz CAJVFEUYJVZHOG-IEBWSBKVSA-N 1 0 394.357 2.436 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000486050147 650706255 /nfs/dbraw/zinc/70/62/55/650706255.db2.gz CLNNVDQSXQUWMP-GXTWGEPZSA-N 1 0 382.302 2.400 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000486079232 650707133 /nfs/dbraw/zinc/70/71/33/650707133.db2.gz HTVYGNPLOSDFKD-TZMCWYRMSA-N 1 0 382.302 2.400 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)c(F)cc1F ZINC000486207065 650708958 /nfs/dbraw/zinc/70/89/58/650708958.db2.gz YFRMAPOYMKTHQK-MNOVXSKESA-N 1 0 375.441 2.253 20 0 GEADRO COCCn1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000530032886 650711105 /nfs/dbraw/zinc/71/11/05/650711105.db2.gz LALWRUDYGRHZJO-CQSZACIVSA-N 1 0 386.283 2.264 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)c1nc2ncccn2n1)c1ccc(Cl)c(Cl)c1 ZINC000530035053 650711126 /nfs/dbraw/zinc/71/11/26/650711126.db2.gz YFQGTIOOCOQCJO-CYBMUJFWSA-N 1 0 379.251 2.464 20 0 GEADRO Cc1cc(Br)cc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000486342427 650711971 /nfs/dbraw/zinc/71/19/71/650711971.db2.gz FNXMXCXPXVWEKH-ZDUSSCGKSA-N 1 0 397.317 2.466 20 0 GEADRO C[NH+](C)CCCNC(=O)CCOc1cccc(I)c1 ZINC000486373921 650712680 /nfs/dbraw/zinc/71/26/80/650712680.db2.gz PIBSGBDENZMDEU-UHFFFAOYSA-N 1 0 376.238 2.128 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1Br ZINC000486386429 650713044 /nfs/dbraw/zinc/71/30/44/650713044.db2.gz KMIORSIALFUWQS-UHFFFAOYSA-N 1 0 391.269 2.050 20 0 GEADRO C[C@](O)(C[NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(Br)cc1Cl ZINC000530237949 650719127 /nfs/dbraw/zinc/71/91/27/650719127.db2.gz HROBKCXCSNOKOJ-ILXRZTDVSA-N 1 0 378.694 2.440 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000486701191 650719552 /nfs/dbraw/zinc/71/95/52/650719552.db2.gz KJNDMBFBCQDDLM-YOEHRIQHSA-N 1 0 380.330 2.291 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000530383370 650724512 /nfs/dbraw/zinc/72/45/12/650724512.db2.gz ZRNPSXFBNYMNOM-GXTWGEPZSA-N 1 0 385.295 2.492 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000486901442 650724840 /nfs/dbraw/zinc/72/48/40/650724840.db2.gz JFPNVBIBRZHNDT-DFBGVHRSSA-N 1 0 383.286 2.319 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2nc3ccc(OC)cc3s2)CC1 ZINC000530545706 650726141 /nfs/dbraw/zinc/72/61/41/650726141.db2.gz KNYLIXFICZZITA-UHFFFAOYSA-N 1 0 383.539 2.456 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000530577367 650726959 /nfs/dbraw/zinc/72/69/59/650726959.db2.gz PGCRFQOOLFNKGE-IAGOWNOFSA-N 1 0 380.330 2.449 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CSc1nnnn1C1CC1)c1ccc(Cl)cc1 ZINC000530590311 650727454 /nfs/dbraw/zinc/72/74/54/650727454.db2.gz JSQJRUPHCUDFIN-CQSZACIVSA-N 1 0 380.905 2.173 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)s1)c1ccc(Cl)cc1 ZINC000531305790 650736559 /nfs/dbraw/zinc/73/65/59/650736559.db2.gz GACUUHKSQIKIFX-GFCCVEGCSA-N 1 0 387.914 2.082 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000531044392 650733810 /nfs/dbraw/zinc/73/38/10/650733810.db2.gz FZPXGLFEAZOHRK-SNVBAGLBSA-N 1 0 375.803 2.338 20 0 GEADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531066710 650734379 /nfs/dbraw/zinc/73/43/79/650734379.db2.gz WMNGEPCTTRWUQM-RCBQFDQVSA-N 1 0 389.949 2.023 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000531313163 650736873 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C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000487911597 650739164 /nfs/dbraw/zinc/73/91/64/650739164.db2.gz LUAOQPLINWUGTL-UONOGXRCSA-N 1 0 396.329 2.416 20 0 GEADRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCOCC1 ZINC000531681757 650742775 /nfs/dbraw/zinc/74/27/75/650742775.db2.gz IKIQVLGBHXDPBB-INIZCTEOSA-N 1 0 388.555 2.064 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000531684889 650742805 /nfs/dbraw/zinc/74/28/05/650742805.db2.gz FAJYAKDBKOMZJT-AWEZNQCLSA-N 1 0 381.519 2.486 20 0 GEADRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000531682907 650742816 /nfs/dbraw/zinc/74/28/16/650742816.db2.gz MRMFPSOZCHAOCH-CQSZACIVSA-N 1 0 384.523 2.473 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)c1 ZINC000531703194 650742930 /nfs/dbraw/zinc/74/29/30/650742930.db2.gz LLSKTOUXOAWORO-NUYPLMSZSA-N 1 0 380.432 2.481 20 0 GEADRO CC[NH+]1CCC(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000010882419 642363505 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COC(=O)[C@H](C)C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000532549574 650749962 /nfs/dbraw/zinc/74/99/62/650749962.db2.gz XVSOOFGYXYCDEQ-LLVKDONJSA-N 1 0 394.269 2.231 20 0 GEADRO O=c1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)nc2ccc(Br)cn12 ZINC000532583820 650750497 /nfs/dbraw/zinc/75/04/97/650750497.db2.gz ZNZLYEDELRXEOI-AWEZNQCLSA-N 1 0 391.313 2.375 20 0 GEADRO CC[NH+]1CCC(N(C)Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000532588323 650750700 /nfs/dbraw/zinc/75/07/00/650750700.db2.gz VMRDKRFOWRSIEY-UHFFFAOYSA-N 1 0 379.302 2.373 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000026856702 642438626 /nfs/dbraw/zinc/43/86/26/642438626.db2.gz AQICUSIIGXQDOD-QMMMGPOBSA-N 1 0 385.711 2.340 20 0 GEADRO O[C@H]([C@@H]1CCCN1CCC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)C(F)(F)F ZINC000489262410 650756634 /nfs/dbraw/zinc/75/66/34/650756634.db2.gz ZFKZUXTZPIROOT-WUHRBBMRSA-N 1 0 378.357 2.152 20 0 GEADRO O=c1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc2ccc(Br)cn12 ZINC000533086834 650756747 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O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1Br ZINC000040446053 642524189 /nfs/dbraw/zinc/52/41/89/642524189.db2.gz YCSCCAFXORDFFZ-SNVBAGLBSA-N 1 0 377.279 2.351 20 0 GEADRO CC(C)(CNC(=O)CNC(=O)c1ccc(Br)o1)[NH+]1CCCCC1 ZINC000041297841 642528762 /nfs/dbraw/zinc/52/87/62/642528762.db2.gz BMHCHHMYFQUMHS-UHFFFAOYSA-N 1 0 386.290 2.153 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000041890739 642535176 /nfs/dbraw/zinc/53/51/76/642535176.db2.gz QGZMRXUJXAKKGE-LBPRGKRZSA-N 1 0 380.286 2.297 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CCC[N@@H+]1C ZINC000489996195 650766469 /nfs/dbraw/zinc/76/64/69/650766469.db2.gz VACWDXGQAKDHDW-ONERCXAPSA-N 1 0 388.281 2.404 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cc(Br)cc2cccnc21)C[NH+](C)C ZINC000490061869 650767612 /nfs/dbraw/zinc/76/76/12/650767612.db2.gz LFLAKPLRTGBTEU-LLVKDONJSA-N 1 0 386.315 2.473 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCC1)c1ccc2c(c1)CCO2 ZINC000042169423 642544925 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CC(C)[NH+]1CCC(N2C(=O)c3cc(Br)ccc3S2(=O)=O)CC1 ZINC000044644363 642580691 /nfs/dbraw/zinc/58/06/91/642580691.db2.gz WSZBYBVZDSESRD-UHFFFAOYSA-N 1 0 387.299 2.466 20 0 GEADRO CNC(=O)CC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000044989656 642585743 /nfs/dbraw/zinc/58/57/43/642585743.db2.gz VUKJHVNNLFDVEG-UHFFFAOYSA-N 1 0 380.080 2.446 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045141677 642589636 /nfs/dbraw/zinc/58/96/36/642589636.db2.gz BCAFYTQNEYIOKX-KGLIPLIRSA-N 1 0 394.313 2.403 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000046947004 642619984 /nfs/dbraw/zinc/61/99/84/642619984.db2.gz BXXJVSQQMMIXAW-GJZGRUSLSA-N 1 0 398.345 2.359 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000046947693 642620417 /nfs/dbraw/zinc/62/04/17/642620417.db2.gz WRLWGSMNOXCQQW-CYBMUJFWSA-N 1 0 384.318 2.214 20 0 GEADRO C[N@H+](CC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCSC1 ZINC000534307832 650771842 /nfs/dbraw/zinc/77/18/42/650771842.db2.gz DFPIUYKTXLDQHA-WCQYABFASA-N 1 0 385.892 2.138 20 0 GEADRO C[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C[NH+]1CCCC1 ZINC000047916717 642642034 /nfs/dbraw/zinc/64/20/34/642642034.db2.gz KDEBFKDRBNGGEO-CYBMUJFWSA-N 1 0 387.933 2.052 20 0 GEADRO CC[C@@H](CN1C(=O)c2cc(Br)ccc2S1(=O)=O)[NH+]1CCCC1 ZINC000047879998 642642283 /nfs/dbraw/zinc/64/22/83/642642283.db2.gz CJQXMXKYHAOCES-LBPRGKRZSA-N 1 0 387.299 2.468 20 0 GEADRO COc1ccc(Br)cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000533990156 650767843 /nfs/dbraw/zinc/76/78/43/650767843.db2.gz DCCFZYNMOQKRFS-UHFFFAOYSA-N 1 0 385.302 2.377 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](C)C[NH+]1CCCC1 ZINC000048749237 642661404 /nfs/dbraw/zinc/66/14/04/642661404.db2.gz WQGOXTKWJSSBBY-ZFWWWQNUSA-N 1 0 388.965 2.026 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000048883091 642663448 /nfs/dbraw/zinc/66/34/48/642663448.db2.gz LSYYTJMEPBIWOF-UHFFFAOYSA-N 1 0 375.803 2.480 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000049048111 642666249 /nfs/dbraw/zinc/66/62/49/642666249.db2.gz LYIKVAPWFHSANS-CYBMUJFWSA-N 1 0 388.295 2.405 20 0 GEADRO CC(C)(C)OC1CC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000490158409 650769314 /nfs/dbraw/zinc/76/93/14/650769314.db2.gz RNKWSPSWMBHFJE-UHFFFAOYSA-N 1 0 388.555 2.205 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163560 642677776 /nfs/dbraw/zinc/67/77/76/642677776.db2.gz VALCVKPMYREPQT-MNOVXSKESA-N 1 0 377.304 2.124 20 0 GEADRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cc1Cl ZINC000490516470 650775086 /nfs/dbraw/zinc/77/50/86/650775086.db2.gz HSZODEGBRGRZFI-IAQYHMDHSA-N 1 0 381.325 2.377 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Br)c(F)cc3F)C2)C1 ZINC000490611654 650777215 /nfs/dbraw/zinc/77/72/15/650777215.db2.gz XPPRPIRWKYBIOF-AWEZNQCLSA-N 1 0 395.269 2.444 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1[NH+](C)C ZINC000534906790 650782145 /nfs/dbraw/zinc/78/21/45/650782145.db2.gz JJFSWWZDSOFFFP-OLZOCXBDSA-N 1 0 379.345 2.115 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000534906791 650782192 /nfs/dbraw/zinc/78/21/92/650782192.db2.gz JJFSWWZDSOFFFP-QWHCGFSZSA-N 1 0 379.345 2.115 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000052499922 642721177 /nfs/dbraw/zinc/72/11/77/642721177.db2.gz FGXHUDCPYFCUPW-ZDUSSCGKSA-N 1 0 383.290 2.089 20 0 GEADRO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638668 642723774 /nfs/dbraw/zinc/72/37/74/642723774.db2.gz JHLYMDJLNHAAFQ-UONOGXRCSA-N 1 0 386.279 2.214 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[NH+]1CCCC1 ZINC000052641491 642723994 /nfs/dbraw/zinc/72/39/94/642723994.db2.gz LCOVXPUGJVYHQR-KGLIPLIRSA-N 1 0 394.313 2.403 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000052695761 642725193 /nfs/dbraw/zinc/72/51/93/642725193.db2.gz PRJYRMFWIAEETM-DOMZBBRYSA-N 1 0 380.432 2.000 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000054942771 642765037 /nfs/dbraw/zinc/76/50/37/642765037.db2.gz HYYWHOWJZQCZJN-UHFFFAOYSA-N 1 0 375.325 2.396 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)CCc2cc(Br)ccc2F)CC1 ZINC000535373773 650787662 /nfs/dbraw/zinc/78/76/62/650787662.db2.gz XSHKGOLDZZNCQW-UHFFFAOYSA-N 1 0 386.309 2.227 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(Br)cc1I ZINC000595984633 652745352 /nfs/dbraw/zinc/74/53/52/652745352.db2.gz XHKBFTQFSDZFEF-ZETCQYMHSA-N 1 0 397.054 2.391 20 0 GEADRO C[N@H+](CCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000491857163 650789069 /nfs/dbraw/zinc/78/90/69/650789069.db2.gz QPMICCIAQGBZEF-AWEZNQCLSA-N 1 0 381.318 2.421 20 0 GEADRO Cc1nnc(CC(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)o1 ZINC000535045703 650783776 /nfs/dbraw/zinc/78/37/76/650783776.db2.gz PAGJFMPKJYOWJK-UHFFFAOYSA-N 1 0 394.273 2.074 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000535619861 650789469 /nfs/dbraw/zinc/78/94/69/650789469.db2.gz FHEBXAKSJZXTAP-OLZOCXBDSA-N 1 0 384.445 2.251 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1[NH+](C)C ZINC000535621594 650789524 /nfs/dbraw/zinc/78/95/24/650789524.db2.gz RWDNQCYZDLLJSL-OLZOCXBDSA-N 1 0 379.345 2.115 20 0 GEADRO COc1nc(N2CC[NH+](C[C@H]3CCO[C@@H](C)C3)CC2)ncc1Br ZINC000491251399 650784683 /nfs/dbraw/zinc/78/46/83/650784683.db2.gz YRMCOPRVAGWZOL-STQMWFEESA-N 1 0 385.306 2.185 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000058883587 642829587 /nfs/dbraw/zinc/82/95/87/642829587.db2.gz BZYMTGANJSTYKW-UHFFFAOYSA-N 1 0 389.949 2.250 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C1 ZINC000058881247 642829675 /nfs/dbraw/zinc/82/96/75/642829675.db2.gz XKOXNYOHVXWJAQ-DOMZBBRYSA-N 1 0 379.448 2.440 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000060210866 642834363 /nfs/dbraw/zinc/83/43/63/642834363.db2.gz VBBICONJDYQDQT-GFCCVEGCSA-N 1 0 386.290 2.009 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000063159860 642853474 /nfs/dbraw/zinc/85/34/74/642853474.db2.gz KCMUYUSHMKVWMA-UHFFFAOYSA-N 1 0 377.304 2.078 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2CCOC2)cc(I)c1OC ZINC000063319090 642857676 /nfs/dbraw/zinc/85/76/76/642857676.db2.gz FXRPELKKNUAUON-JTQLQIEISA-N 1 0 377.222 2.435 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000492977814 650792481 /nfs/dbraw/zinc/79/24/81/650792481.db2.gz VJVRZYLVEIRDFI-UHFFFAOYSA-N 1 0 396.329 2.141 20 0 GEADRO CSC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000493231764 650793453 /nfs/dbraw/zinc/79/34/53/650793453.db2.gz RBAZMFYZTCYYRX-CYBMUJFWSA-N 1 0 385.555 2.139 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(Br)cc1Cl ZINC000536019855 650794476 /nfs/dbraw/zinc/79/44/76/650794476.db2.gz ZCORWKDYSMKTAB-UHFFFAOYSA-N 1 0 397.660 2.086 20 0 GEADRO C[NH+](C)CCCNC(=S)NCc1cc(Br)c2c(c1)OCCO2 ZINC000066012248 642894378 /nfs/dbraw/zinc/89/43/78/642894378.db2.gz BOYMPQJUULAWBI-UHFFFAOYSA-N 1 0 388.331 2.136 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000066125412 642898662 /nfs/dbraw/zinc/89/86/62/642898662.db2.gz YIOGXUPPCOOVLJ-GFCCVEGCSA-N 1 0 398.301 2.021 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000066187870 642899890 /nfs/dbraw/zinc/89/98/90/642899890.db2.gz YLOPOJVHTDJILK-ZDUSSCGKSA-N 1 0 375.922 2.143 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000066222650 642901809 /nfs/dbraw/zinc/90/18/09/642901809.db2.gz DJKFSWYBYWGPLE-LBPRGKRZSA-N 1 0 396.285 2.093 20 0 GEADRO O=C(C1CC[NH+](CCOc2ccc(Br)cc2)CC1)N1CCOCC1 ZINC000066562287 642920687 /nfs/dbraw/zinc/92/06/87/642920687.db2.gz BVYWSMYISOYYPD-UHFFFAOYSA-N 1 0 397.313 2.399 20 0 GEADRO CCc1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)s1 ZINC000066594239 642926441 /nfs/dbraw/zinc/92/64/41/642926441.db2.gz VYAHWUBUHNIFLJ-LBPRGKRZSA-N 1 0 381.523 2.335 20 0 GEADRO C[C@@H](C1CC1)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000066914657 642949522 /nfs/dbraw/zinc/94/95/22/642949522.db2.gz YQEFMIYXUJAOMS-ZDUSSCGKSA-N 1 0 375.485 2.304 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000068470359 643000732 /nfs/dbraw/zinc/00/07/32/643000732.db2.gz JEMKZORQUPYOPS-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO CN(CC(=O)N1CCC[C@@H]([NH+](C)C)C1)C(=O)c1ccc(Br)s1 ZINC000068487212 643002051 /nfs/dbraw/zinc/00/20/51/643002051.db2.gz GZNNDCAGNXAWQS-LLVKDONJSA-N 1 0 388.331 2.135 20 0 GEADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000068989361 643018332 /nfs/dbraw/zinc/01/83/32/643018332.db2.gz AWFBQCFJJJZNNN-UHFFFAOYSA-N 1 0 382.498 2.334 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000069375744 643030832 /nfs/dbraw/zinc/03/08/32/643030832.db2.gz XZPTUFNDLCJPNW-UONOGXRCSA-N 1 0 384.307 2.329 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000069607573 643036632 /nfs/dbraw/zinc/03/66/32/643036632.db2.gz TWLBRNPKZIUVFZ-ZDUSSCGKSA-N 1 0 377.290 2.095 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069608275 643036811 /nfs/dbraw/zinc/03/68/11/643036811.db2.gz STXBQBOCKJSVDQ-AWEZNQCLSA-N 1 0 391.317 2.485 20 0 GEADRO CS[C@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2C)C[C@@H]1[NH+](C)C ZINC000536812543 650808014 /nfs/dbraw/zinc/80/80/14/650808014.db2.gz YLWXUQKFZPCROF-AAEUAGOBSA-N 1 0 397.595 2.140 20 0 GEADRO CS[C@@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2C)C[C@@H]1[NH+](C)C ZINC000536812546 650808086 /nfs/dbraw/zinc/80/80/86/650808086.db2.gz YLWXUQKFZPCROF-WCQYABFASA-N 1 0 397.595 2.140 20 0 GEADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069746077 643040214 /nfs/dbraw/zinc/04/02/14/643040214.db2.gz PTOFAQAZPGOBKP-GFCCVEGCSA-N 1 0 397.317 2.234 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856331 643041842 /nfs/dbraw/zinc/04/18/42/643041842.db2.gz MQHOMTHEDZOAPK-RHSMWYFYSA-N 1 0 396.329 2.020 20 0 GEADRO C[C@H](CS(C)(=O)=O)N(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000069933383 643044660 /nfs/dbraw/zinc/04/46/60/643044660.db2.gz NDMUXJKJKDYNRL-CQSZACIVSA-N 1 0 387.571 2.035 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1ccccc1I ZINC000070149904 643049178 /nfs/dbraw/zinc/04/91/78/643049178.db2.gz NKCJFZZMNLTUTP-LBPRGKRZSA-N 1 0 387.265 2.433 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1ccccc1I ZINC000070149903 643049230 /nfs/dbraw/zinc/04/92/30/643049230.db2.gz NKCJFZZMNLTUTP-GFCCVEGCSA-N 1 0 387.265 2.433 20 0 GEADRO CCN(CC(=O)Nc1ccc(I)cc1C)[C@H]1CC[NH2+]C1 ZINC000071313803 643060122 /nfs/dbraw/zinc/06/01/22/643060122.db2.gz ODQKOOHTCFKVFD-ZDUSSCGKSA-N 1 0 387.265 2.222 20 0 GEADRO CCCN(CC(=O)Nc1cccc(I)c1)[C@H]1CC[NH2+]C1 ZINC000071331529 643060291 /nfs/dbraw/zinc/06/02/91/643060291.db2.gz BWBAKLSPWBORDJ-AWEZNQCLSA-N 1 0 387.265 2.304 20 0 GEADRO COc1ccc([C@H](CNc2ncc(S(N)(=O)=O)s2)[NH+]2CCCC2)cc1 ZINC000072072988 643062570 /nfs/dbraw/zinc/06/25/70/643062570.db2.gz GWDCSEYAMXCVTJ-AWEZNQCLSA-N 1 0 382.511 2.048 20 0 GEADRO CS(=O)(=O)CCC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494545506 650810905 /nfs/dbraw/zinc/81/09/05/650810905.db2.gz HBRNLIPOHBAYPL-UHFFFAOYSA-N 1 0 375.416 2.475 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000093046065 643074162 /nfs/dbraw/zinc/07/41/62/643074162.db2.gz XWRFVSRBFDPHPE-UHFFFAOYSA-N 1 0 384.318 2.141 20 0 GEADRO COc1cc(C[N@H+](C)CC(C)(CO)CO)cc(Br)c1OC(F)F ZINC000093502483 643077154 /nfs/dbraw/zinc/07/71/54/643077154.db2.gz SDDMLCDRZKZDRU-UHFFFAOYSA-N 1 0 398.244 2.482 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000093739712 643079446 /nfs/dbraw/zinc/07/94/46/643079446.db2.gz JWHBNCBISPOCDS-OAHLLOKOSA-N 1 0 399.329 2.499 20 0 GEADRO C[N@H+](CCNC(=O)c1cnn2cc(Br)cnc12)C1CCCCC1 ZINC000094059753 643085567 /nfs/dbraw/zinc/08/55/67/643085567.db2.gz XDGUEOLQJHUSQM-UHFFFAOYSA-N 1 0 380.290 2.486 20 0 GEADRO CCN(CC)c1ncc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)s1 ZINC000537306828 650812634 /nfs/dbraw/zinc/81/26/34/650812634.db2.gz VXULBWWLXGMXAE-UHFFFAOYSA-N 1 0 382.555 2.199 20 0 GEADRO Cc1ccsc1[C@@H](CO)[NH2+]CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000494663894 650814276 /nfs/dbraw/zinc/81/42/76/650814276.db2.gz GHZMYABUROKSQW-CQSZACIVSA-N 1 0 381.885 2.461 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000102416361 643127402 /nfs/dbraw/zinc/12/74/02/643127402.db2.gz BPOOSHZFWKZUOY-INIZCTEOSA-N 1 0 390.281 2.385 20 0 GEADRO CC[N@H+](CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000102495960 643128331 /nfs/dbraw/zinc/12/83/31/643128331.db2.gz KXKKKEQLIKECPU-UHFFFAOYSA-N 1 0 375.922 2.050 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000494882610 650818442 /nfs/dbraw/zinc/81/84/42/650818442.db2.gz JOMBMNKNNWSUOQ-ZDUSSCGKSA-N 1 0 388.331 2.473 20 0 GEADRO C[C@H](NC(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C)c1ccc(Br)cc1 ZINC000103286089 643161378 /nfs/dbraw/zinc/16/13/78/643161378.db2.gz AUENUJAWVWPLAS-SGMGOOAPSA-N 1 0 382.302 2.212 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000494843563 650817780 /nfs/dbraw/zinc/81/77/80/650817780.db2.gz AIMSEIHVLMFKRB-WCQYABFASA-N 1 0 398.301 2.385 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)CC2CC[NH+](C)CC2)ccc1Cl ZINC000103453962 643166632 /nfs/dbraw/zinc/16/66/32/643166632.db2.gz IFFFHTGQSSUSPN-UHFFFAOYSA-N 1 0 387.933 2.004 20 0 GEADRO O=C(C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1)N1CCOCC1 ZINC000103465746 643167583 /nfs/dbraw/zinc/16/75/83/643167583.db2.gz HJFUPYGDPUDKSN-QGZVFWFLSA-N 1 0 397.313 2.053 20 0 GEADRO CCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000103499840 643169347 /nfs/dbraw/zinc/16/93/47/643169347.db2.gz DFTZPORFCLDXMJ-SQWLQELKSA-N 1 0 384.567 2.483 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1 ZINC000104739747 643189791 /nfs/dbraw/zinc/18/97/91/643189791.db2.gz AMIYFUAKEAWGHI-LBPRGKRZSA-N 1 0 391.896 2.448 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000104800811 643194881 /nfs/dbraw/zinc/19/48/81/643194881.db2.gz PUTRDBNKMXGZBY-ZDUSSCGKSA-N 1 0 387.311 2.380 20 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C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000540183571 650858457 /nfs/dbraw/zinc/85/84/57/650858457.db2.gz RPFINPKWBSRREG-CABCVRRESA-N 1 0 385.961 2.245 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000540164776 650858486 /nfs/dbraw/zinc/85/84/86/650858486.db2.gz OWZWTVZIBHGYAS-GXTWGEPZSA-N 1 0 390.299 2.066 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)Cc2ccsc2)c1 ZINC000540179628 650858513 /nfs/dbraw/zinc/85/85/13/650858513.db2.gz ZKCIJDNJJCWBBD-STQMWFEESA-N 1 0 381.523 2.204 20 0 GEADRO CSCc1nn(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=S)o1 ZINC000124687854 643689721 /nfs/dbraw/zinc/68/97/21/643689721.db2.gz WZZGEDOUUHDHRB-YIONKMFJSA-N 1 0 383.587 2.269 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)sc1C ZINC000540214454 650859968 /nfs/dbraw/zinc/85/99/68/650859968.db2.gz BZSXHOJJPKKDTF-SJPCQFCGSA-N 1 0 383.583 2.296 20 0 GEADRO Cn1cnc(CC[NH2+][C@@H]2CCCOc3ccc(I)cc32)n1 ZINC000540219098 650860423 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C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000498767627 650864825 /nfs/dbraw/zinc/86/48/25/650864825.db2.gz WLWOBKWJKYBRAJ-TXEJJXNPSA-N 1 0 382.555 2.250 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CCCOC1)COc1ccc(I)cc1 ZINC000540602638 650865149 /nfs/dbraw/zinc/86/51/49/650865149.db2.gz NTNLTTUVKLSRPY-TZMCWYRMSA-N 1 0 391.249 2.047 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000127377379 643774230 /nfs/dbraw/zinc/77/42/30/643774230.db2.gz SYAVREFLMKFEHS-ZDUSSCGKSA-N 1 0 386.290 2.378 20 0 GEADRO C[NH+]1CCC(CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000127584767 643779637 /nfs/dbraw/zinc/77/96/37/643779637.db2.gz YGLZZWDDYKRCTH-UHFFFAOYSA-N 1 0 397.317 2.419 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000127730695 643781975 /nfs/dbraw/zinc/78/19/75/643781975.db2.gz AEJFPWOYQXFVAR-UHFFFAOYSA-N 1 0 391.940 2.363 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1c[nH]nc1-c1cccnc1)c1ccc(Cl)s1 ZINC000127760228 643783262 /nfs/dbraw/zinc/78/32/62/643783262.db2.gz 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O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000543237687 650904691 /nfs/dbraw/zinc/90/46/91/650904691.db2.gz DKPPQTXXHOIMLZ-GFCCVEGCSA-N 1 0 390.299 2.277 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000164213553 644260595 /nfs/dbraw/zinc/26/05/95/644260595.db2.gz FJUQCCCLCFLBGC-UHFFFAOYSA-N 1 0 386.290 2.089 20 0 GEADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000164263069 644261191 /nfs/dbraw/zinc/26/11/91/644261191.db2.gz XMWKCLZPFURPNF-BXUZGUMPSA-N 1 0 397.317 2.395 20 0 GEADRO O=C(Nc1ccc(Br)nc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000166841627 644278381 /nfs/dbraw/zinc/27/83/81/644278381.db2.gz ZWNPQHNGYKWLAJ-GFCCVEGCSA-N 1 0 383.290 2.467 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1ccc(I)cc1)C1CC1 ZINC000170873334 644294493 /nfs/dbraw/zinc/29/44/93/644294493.db2.gz OORJLTVKOQREDK-UHFFFAOYSA-N 1 0 394.278 2.054 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCC(=O)Nc3ccccc32)s1 ZINC000543424875 650911482 /nfs/dbraw/zinc/91/14/82/650911482.db2.gz 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C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000181131533 644524960 /nfs/dbraw/zinc/52/49/60/644524960.db2.gz SYDOMRAOTHSRRP-VXGBXAGGSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000181370414 644533804 /nfs/dbraw/zinc/53/38/04/644533804.db2.gz PDVOHHQYAJKJJF-CQSZACIVSA-N 1 0 375.441 2.487 20 0 GEADRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc([S@](C)=O)cc1 ZINC000181503915 644539909 /nfs/dbraw/zinc/53/99/09/644539909.db2.gz UKEJPMANLZRKAZ-ZLOXQWCVSA-N 1 0 386.564 2.457 20 0 GEADRO CS[C@H](C)c1nc(-c2cccc(S(=O)(=O)NCCC[NH+](C)C)c2)no1 ZINC000544302841 650939116 /nfs/dbraw/zinc/93/91/16/650939116.db2.gz FBISQAIURGNRQQ-GFCCVEGCSA-N 1 0 384.527 2.391 20 0 GEADRO C[NH+](C)CCn1nnnc1SCc1nc2cc(Br)ccc2[nH]1 ZINC000544621210 650946536 /nfs/dbraw/zinc/94/65/36/650946536.db2.gz PMAAWFCSDABVIB-UHFFFAOYSA-N 1 0 382.291 2.166 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(I)c(O)c3)[C@H]2C1 ZINC000544876471 650957188 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CC(C)(C[NH3+])NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000183148287 644981173 /nfs/dbraw/zinc/98/11/73/644981173.db2.gz CISUGRVJHHESHS-UHFFFAOYSA-N 1 0 391.209 2.363 20 0 GEADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000183172768 644983594 /nfs/dbraw/zinc/98/35/94/644983594.db2.gz GHHDNUFNFNNCLW-SSDOTTSWSA-N 1 0 391.209 2.315 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1CCCO1 ZINC000183195445 644986207 /nfs/dbraw/zinc/98/62/07/644986207.db2.gz NGWBGPZZORPABQ-DOMZBBRYSA-N 1 0 387.311 2.194 20 0 GEADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000183477981 644994419 /nfs/dbraw/zinc/99/44/19/644994419.db2.gz VFRFXXKPLFHGRB-UHFFFAOYSA-N 1 0 375.803 2.433 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccnc1Br ZINC000183777245 645002940 /nfs/dbraw/zinc/00/29/40/645002940.db2.gz JZZVPLPTNMQYBW-OAHLLOKOSA-N 1 0 390.281 2.341 20 0 GEADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1cnn(CC(F)(F)F)c1 ZINC000184597783 645022610 /nfs/dbraw/zinc/02/26/10/645022610.db2.gz 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CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000193265194 645257778 /nfs/dbraw/zinc/25/77/78/645257778.db2.gz IVMRDRVOGATGQM-SNVBAGLBSA-N 1 0 395.294 2.359 20 0 GEADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193269492 645258386 /nfs/dbraw/zinc/25/83/86/645258386.db2.gz FNAPLEDBFAKCIR-CABCVRRESA-N 1 0 388.917 2.270 20 0 GEADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000193273111 645258882 /nfs/dbraw/zinc/25/88/82/645258882.db2.gz JBSQFMCJLMHDDC-GFCCVEGCSA-N 1 0 376.906 2.126 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000193284880 645261682 /nfs/dbraw/zinc/26/16/82/645261682.db2.gz SLZLPUOXPDWLSW-JQWIXIFHSA-N 1 0 389.315 2.132 20 0 GEADRO CC(C)([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000193295533 645263531 /nfs/dbraw/zinc/26/35/31/645263531.db2.gz CQYJAIVSIAXPEX-CYBMUJFWSA-N 1 0 376.906 2.304 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193429881 645272832 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20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193608876 645289750 /nfs/dbraw/zinc/28/97/50/645289750.db2.gz PTHGDINEMFSEEE-RWMBFGLXSA-N 1 0 399.276 2.112 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000193710339 645293010 /nfs/dbraw/zinc/29/30/10/645293010.db2.gz AUDGATHYOQEFAK-ZDUSSCGKSA-N 1 0 388.295 2.218 20 0 GEADRO CCn1cc(Br)cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000194262663 645320278 /nfs/dbraw/zinc/32/02/78/645320278.db2.gz QNYKGPRMOGRLBA-INIZCTEOSA-N 1 0 385.350 2.272 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194392380 645326052 /nfs/dbraw/zinc/32/60/52/645326052.db2.gz SRANTYZHYLRDMI-ZBFHGGJFSA-N 1 0 385.302 2.226 20 0 GEADRO C[C@H](CNC(=O)c1ccc(OC(F)(F)Cl)cc1)C[NH+]1CCN(C)CC1 ZINC000194603940 645337239 /nfs/dbraw/zinc/33/72/39/645337239.db2.gz QCOSTWFAUQNSGO-CYBMUJFWSA-N 1 0 375.847 2.468 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)C1 ZINC000194664472 645341285 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CC[NH+](CC)CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000195237075 645365790 /nfs/dbraw/zinc/36/57/90/645365790.db2.gz NBJSJSRLQBJCHO-UHFFFAOYSA-N 1 0 389.949 2.442 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CCO1 ZINC000226295368 645390431 /nfs/dbraw/zinc/39/04/31/645390431.db2.gz HIVGPIDENWSFNQ-PRHODGIISA-N 1 0 394.640 2.133 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CCO1 ZINC000226297375 645390499 /nfs/dbraw/zinc/39/04/99/645390499.db2.gz FDVIUMFLUKJMJJ-QPUJVOFHSA-N 1 0 394.640 2.133 20 0 GEADRO CO[C@H]1CCN(C(=O)c2ccc(F)cc2I)[C@@H](C[NH3+])C1 ZINC000227833790 645394457 /nfs/dbraw/zinc/39/44/57/645394457.db2.gz UOHSFSJHHWYCSS-MNOVXSKESA-N 1 0 392.212 2.009 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(I)c(O)c1 ZINC000230894489 645402259 /nfs/dbraw/zinc/40/22/59/645402259.db2.gz OCUWLMBLQNZPSY-JTQLQIEISA-N 1 0 376.238 2.457 20 0 GEADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(I)ccc1O ZINC000232755941 645405049 /nfs/dbraw/zinc/40/50/49/645405049.db2.gz KTELXFZNIQEVTL-LBPRGKRZSA-N 1 0 376.238 2.313 20 0 GEADRO C[NH+](C)CCOCCNCc1ncc(Br)cc1Br ZINC000234257967 645406690 /nfs/dbraw/zinc/40/66/90/645406690.db2.gz BKMKLNFOZOPDJI-UHFFFAOYSA-N 1 0 381.112 2.274 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 ZINC000235510747 645408741 /nfs/dbraw/zinc/40/87/41/645408741.db2.gz VRULKRXTOYBIDZ-UFBFGSQYSA-N 1 0 392.091 2.400 20 0 GEADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236582131 645412600 /nfs/dbraw/zinc/41/26/00/645412600.db2.gz DMEWRVFQKLGGKK-HABKJSAYSA-N 1 0 392.297 2.201 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)NC[C@H]1CCC[NH2+]C1 ZINC000236595873 645413199 /nfs/dbraw/zinc/41/31/99/645413199.db2.gz VHPLSVQPWIKMPQ-OOPCZODUSA-N 1 0 381.270 2.349 20 0 GEADRO O=C(CCC1CC[NH2+]CC1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000236606778 645413759 /nfs/dbraw/zinc/41/37/59/645413759.db2.gz YACOOQZZAUAEJV-UHFFFAOYSA-N 1 0 396.329 2.465 20 0 GEADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236635848 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COc1ccc(Br)cc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237153814 645425495 /nfs/dbraw/zinc/42/54/95/645425495.db2.gz WIFJTMUWTNOWKP-UHFFFAOYSA-N 1 0 380.246 2.226 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237189469 645426262 /nfs/dbraw/zinc/42/62/62/645426262.db2.gz YFISGQWPVQNYLD-LLVKDONJSA-N 1 0 394.640 2.420 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c(Cl)cc1Cl ZINC000237201862 645426911 /nfs/dbraw/zinc/42/69/11/645426911.db2.gz WUFIIZNSAAIASL-SECBINFHSA-N 1 0 381.281 2.058 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000237316995 645427551 /nfs/dbraw/zinc/42/75/51/645427551.db2.gz NHNVKDJRDPSAGN-SNVBAGLBSA-N 1 0 395.308 2.400 20 0 GEADRO C[NH2+]CCN(C)C(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl ZINC000237333257 645428472 /nfs/dbraw/zinc/42/84/72/645428472.db2.gz ILKMUOAIPWPJBV-UHFFFAOYSA-N 1 0 396.340 2.219 20 0 GEADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237346170 645429240 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1 0 380.539 2.077 20 0 GEADRO Cc1c(C(=O)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000237791941 645441300 /nfs/dbraw/zinc/44/13/00/645441300.db2.gz SFKJYAHAGJHZMY-ZDUSSCGKSA-N 1 0 392.301 2.458 20 0 GEADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000237803550 645442540 /nfs/dbraw/zinc/44/25/40/645442540.db2.gz AWYNPPNVSBJNNZ-HIFRSBDPSA-N 1 0 383.275 2.419 20 0 GEADRO [NH3+]C1CCC(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000237806042 645442611 /nfs/dbraw/zinc/44/26/11/645442611.db2.gz IBKLYYKPIUNXAE-WXRRBKDZSA-N 1 0 380.286 2.188 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000237870439 645446373 /nfs/dbraw/zinc/44/63/73/645446373.db2.gz RFAOCZDBFLEXQP-ZFWWWQNUSA-N 1 0 382.302 2.203 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000237859016 645446462 /nfs/dbraw/zinc/44/64/62/645446462.db2.gz KTMCRZQONOIIMN-CZUORRHYSA-N 1 0 381.929 2.361 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000237880257 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C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246794221 645494617 /nfs/dbraw/zinc/49/46/17/645494617.db2.gz BOFZMSHAXRUSKG-QXSJWSMHSA-N 1 0 375.579 2.206 20 0 GEADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000246824734 645496255 /nfs/dbraw/zinc/49/62/55/645496255.db2.gz BJGZEJCEXRIRFK-BFHYXJOUSA-N 1 0 376.544 2.497 20 0 GEADRO C[C@@H](N[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000246846501 645496763 /nfs/dbraw/zinc/49/67/63/645496763.db2.gz HVBOGMAZXVCZLW-SCVCMEIPSA-N 1 0 379.309 2.336 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000246955712 645499576 /nfs/dbraw/zinc/49/95/76/645499576.db2.gz HOWZVCVETHLDAJ-XHDPSFHLSA-N 1 0 398.276 2.469 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000247084483 645503884 /nfs/dbraw/zinc/50/38/84/645503884.db2.gz VYRQBWDDBXPJHA-ZIAGYGMSSA-N 1 0 385.555 2.122 20 0 GEADRO 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[NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3nc(-c4cccs4)cs3)C[C@H]21 ZINC000415583526 648106961 /nfs/dbraw/zinc/10/69/61/648106961.db2.gz JPOZQRDYPQMQNT-IJLUTSLNSA-N 1 0 376.507 2.396 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415591640 648108180 /nfs/dbraw/zinc/10/81/80/648108180.db2.gz CUKQRBVMMAOPAS-UHFFFAOYSA-N 1 0 377.750 2.213 20 0 GEADRO COc1ccc(NC(=O)N[C@H]2CCC[NH2+]C2)c(I)c1 ZINC000415596806 648108433 /nfs/dbraw/zinc/10/84/33/648108433.db2.gz MNFZRYUMIJAJBM-VIFPVBQESA-N 1 0 375.210 2.173 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415604195 648110378 /nfs/dbraw/zinc/11/03/78/648110378.db2.gz BONPLWFHPCOHLN-WRWORJQWSA-N 1 0 392.656 2.294 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415624760 648110739 /nfs/dbraw/zinc/11/07/39/648110739.db2.gz NAGNVFCFMCVDFR-CYBMUJFWSA-N 1 0 380.286 2.135 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415623379 648110798 /nfs/dbraw/zinc/11/07/98/648110798.db2.gz GNZCCYXJYZEUMS-GFCCVEGCSA-N 1 0 384.274 2.045 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415625915 648111314 /nfs/dbraw/zinc/11/13/14/648111314.db2.gz PZFSOTLSLKTDJI-PELKAZGASA-N 1 0 388.693 2.464 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415630518 648111798 /nfs/dbraw/zinc/11/17/98/648111798.db2.gz CRONROWCQHGWJV-UHFFFAOYSA-N 1 0 379.262 2.293 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000415812521 648113788 /nfs/dbraw/zinc/11/37/88/648113788.db2.gz PQBSQWDKHKUGKX-GXFFZTMASA-N 1 0 398.276 2.111 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415817088 648114497 /nfs/dbraw/zinc/11/44/97/648114497.db2.gz YKQSPVMSKGLYAK-ZJUUUORDSA-N 1 0 384.267 2.029 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C1 ZINC000416409954 648115535 /nfs/dbraw/zinc/11/55/35/648115535.db2.gz DFEUWBIMVSBYSD-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000416471744 648137259 /nfs/dbraw/zinc/13/72/59/648137259.db2.gz LMYBGXJOGCHPPA-GFCCVEGCSA-N 1 0 387.933 2.161 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000416491088 648146171 /nfs/dbraw/zinc/14/61/71/648146171.db2.gz WZBAXEIQWSPDPY-KRWDZBQOSA-N 1 0 386.901 2.233 20 0 GEADRO Cc1cccc(Cl)c1S(=O)(=O)NCc1ccncc1OCC[NH+](C)C ZINC000416491464 648146722 /nfs/dbraw/zinc/14/67/22/648146722.db2.gz ZHRFEBSTEACFCI-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416511222 648154375 /nfs/dbraw/zinc/15/43/75/648154375.db2.gz WSFDDKWBTMKNSK-GFCCVEGCSA-N 1 0 378.922 2.372 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000416550649 648168639 /nfs/dbraw/zinc/16/86/39/648168639.db2.gz FPLDYKSNRPVVBY-LBPRGKRZSA-N 1 0 376.906 2.367 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000416558661 648171334 /nfs/dbraw/zinc/17/13/34/648171334.db2.gz PLCWQBPDVBYWHF-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000416820919 648213235 /nfs/dbraw/zinc/21/32/35/648213235.db2.gz CUQNMGPNFMSHQQ-QWHCGFSZSA-N 1 0 383.290 2.265 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000416830389 648213694 /nfs/dbraw/zinc/21/36/94/648213694.db2.gz OGHIOPNGKCCPOL-UHFFFAOYSA-N 1 0 395.301 2.305 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000416827082 648213716 /nfs/dbraw/zinc/21/37/16/648213716.db2.gz KPVLTRSPOGOJSY-UHFFFAOYSA-N 1 0 383.290 2.137 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000416833820 648214044 /nfs/dbraw/zinc/21/40/44/648214044.db2.gz RJDQUOWDEVFCEK-DGCLKSJQSA-N 1 0 397.317 2.322 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(F)ccc2Br)CC[N@H+](C)C1 ZINC000416901159 648216073 /nfs/dbraw/zinc/21/60/73/648216073.db2.gz ANIVRCARWKRFLZ-SNVBAGLBSA-N 1 0 388.237 2.157 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000416924279 648216945 /nfs/dbraw/zinc/21/69/45/648216945.db2.gz WUOSOSAARHYIRY-ZDUSSCGKSA-N 1 0 390.575 2.095 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2cccc(C)c2Br)CC[N@H+](C)C1 ZINC000416995123 648221515 /nfs/dbraw/zinc/22/15/15/648221515.db2.gz KQKNAJLGHFUOEH-LBPRGKRZSA-N 1 0 384.274 2.326 20 0 GEADRO C[C@H](NC(=O)N1CCC([NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000417180359 648229355 /nfs/dbraw/zinc/22/93/55/648229355.db2.gz OENRIDHZUKWQPX-JTQLQIEISA-N 1 0 384.274 2.414 20 0 GEADRO C[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)[C@@H](C[NH3+])C1 ZINC000417219105 648233668 /nfs/dbraw/zinc/23/36/68/648233668.db2.gz MENXTIATPCNTLT-SMDDNHRTSA-N 1 0 380.290 2.366 20 0 GEADRO C[C@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000417229640 648234992 /nfs/dbraw/zinc/23/49/92/648234992.db2.gz UOPCZRVLCNKPCW-STQMWFEESA-N 1 0 397.317 2.404 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000417227797 648235080 /nfs/dbraw/zinc/23/50/80/648235080.db2.gz VPESMUZWYGGPRT-VXGBXAGGSA-N 1 0 380.290 2.366 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)[C@@H]1C ZINC000417228610 648235180 /nfs/dbraw/zinc/23/51/80/648235180.db2.gz RUQJKUMNPFIMFG-VXGBXAGGSA-N 1 0 383.290 2.170 20 0 GEADRO CSC1(CNC(=O)Nc2cccc(C)c2S(C)(=O)=O)CC[NH+](C)CC1 ZINC000417306706 648239212 /nfs/dbraw/zinc/23/92/12/648239212.db2.gz DQNCMPZAEHHYFA-UHFFFAOYSA-N 1 0 385.555 2.347 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417305197 648239274 /nfs/dbraw/zinc/23/92/74/648239274.db2.gz VSLRWVAHJFSIHU-GFCCVEGCSA-N 1 0 384.274 2.243 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000417360793 648240054 /nfs/dbraw/zinc/24/00/54/648240054.db2.gz BLTZDKNTVFGCJJ-GFCCVEGCSA-N 1 0 385.306 2.383 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000417364586 648240560 /nfs/dbraw/zinc/24/05/60/648240560.db2.gz HOWOUADHBWKKFQ-QWHCGFSZSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000417367467 648241078 /nfs/dbraw/zinc/24/10/78/648241078.db2.gz MNNBMEPFRSFZMI-ZDUSSCGKSA-N 1 0 385.306 2.369 20 0 GEADRO COc1ccc(CNC(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1Br ZINC000417417165 648243550 /nfs/dbraw/zinc/24/35/50/648243550.db2.gz ADTYJOGEZZPITP-CHWSQXEVSA-N 1 0 386.290 2.105 20 0 GEADRO CC(C)(CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000417426330 648244474 /nfs/dbraw/zinc/24/44/74/648244474.db2.gz GDSHPPOLOCWOPP-OAHLLOKOSA-N 1 0 384.318 2.486 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000417431127 648244799 /nfs/dbraw/zinc/24/47/99/648244799.db2.gz QVFSDCDNYGQGPJ-OAHLLOKOSA-N 1 0 382.302 2.240 20 0 GEADRO C[NH2+]CCN(C)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417431676 648244954 /nfs/dbraw/zinc/24/49/54/648244954.db2.gz RLMNVTBYHOXYRH-UHFFFAOYSA-N 1 0 384.318 2.358 20 0 GEADRO C[C@@H]1CN(C(=O)NCCc2ccc(I)s2)CC[C@@H]1[NH3+] ZINC000417434695 648245050 /nfs/dbraw/zinc/24/50/50/648245050.db2.gz AERURDGIUXDFIO-KOLCDFICSA-N 1 0 393.294 2.274 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCCc2ccc(I)s2)CC[NH2+]1 ZINC000417435438 648245450 /nfs/dbraw/zinc/24/54/50/648245450.db2.gz BKZTZPIDRJXBRR-VHSXEESVSA-N 1 0 393.294 2.335 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCc2ccc(I)s2)C1 ZINC000417437612 648245885 /nfs/dbraw/zinc/24/58/85/648245885.db2.gz HRTARXHHOVLDMD-ZJUUUORDSA-N 1 0 393.294 2.464 20 0 GEADRO COc1cc(Br)c(CNC(=O)NC2(C)CC[NH2+]CC2)cc1OC ZINC000417448846 648246824 /nfs/dbraw/zinc/24/68/24/648246824.db2.gz WRESGVUAYBAQOU-UHFFFAOYSA-N 1 0 386.290 2.408 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000417449963 648247281 /nfs/dbraw/zinc/24/72/81/648247281.db2.gz YZIVGVFIRMDWDM-MNOVXSKESA-N 1 0 386.290 2.345 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417478409 648248170 /nfs/dbraw/zinc/24/81/70/648248170.db2.gz IBUHKGLVQZHGMH-INWMFGNUSA-N 1 0 381.318 2.325 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417478017 648248187 /nfs/dbraw/zinc/24/81/87/648248187.db2.gz HQSAKVSJHHBPAU-ZBFHGGJFSA-N 1 0 381.318 2.421 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000417478671 648248263 /nfs/dbraw/zinc/24/82/63/648248263.db2.gz DQUAWJPAZIFOPR-QWHCGFSZSA-N 1 0 397.317 2.465 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417480893 648248539 /nfs/dbraw/zinc/24/85/39/648248539.db2.gz NCSNRDMPQZMXNV-LXZKKBNFSA-N 1 0 393.329 2.421 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000417480027 648248707 /nfs/dbraw/zinc/24/87/07/648248707.db2.gz FRXMVJUEHIHHLX-CHWSQXEVSA-N 1 0 397.317 2.478 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000417480905 648248717 /nfs/dbraw/zinc/24/87/17/648248717.db2.gz NEDOCQPANDMURV-VHDGCEQUSA-N 1 0 381.318 2.468 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417479454 648248748 /nfs/dbraw/zinc/24/87/48/648248748.db2.gz KLMYDMQEOHIHPH-IJEWVQPXSA-N 1 0 393.329 2.279 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417483055 648249575 /nfs/dbraw/zinc/24/95/75/648249575.db2.gz RBXWFVLXOOOYAO-HUUCEWRRSA-N 1 0 381.318 2.421 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000417491033 648250386 /nfs/dbraw/zinc/25/03/86/648250386.db2.gz SMSJZNDCZICFAO-CYBMUJFWSA-N 1 0 385.306 2.369 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000417494419 648250396 /nfs/dbraw/zinc/25/03/96/648250396.db2.gz XVBXTCSDCAJDKQ-IUODEOHRSA-N 1 0 397.317 2.383 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417591969 648254547 /nfs/dbraw/zinc/25/45/47/648254547.db2.gz DPRQEMMLSFMHGC-NFAWXSAZSA-N 1 0 381.318 2.325 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC000417595883 648254579 /nfs/dbraw/zinc/25/45/79/648254579.db2.gz OTYRRINIDIYCRS-ZDUSSCGKSA-N 1 0 388.331 2.304 20 0 GEADRO O=C(NCCSCCOc1cccc(Br)c1)NCC1C[NH2+]C1 ZINC000417596495 648255159 /nfs/dbraw/zinc/25/51/59/648255159.db2.gz QGPBMZKHWFIWST-UHFFFAOYSA-N 1 0 388.331 2.080 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417602161 648255456 /nfs/dbraw/zinc/25/54/56/648255456.db2.gz NGYRZDGVKASFTO-SQWLQELKSA-N 1 0 393.329 2.421 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417604986 648255980 /nfs/dbraw/zinc/25/59/80/648255980.db2.gz WNRRHCOPPFMVLD-BFHYXJOUSA-N 1 0 381.318 2.407 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417604941 648256063 /nfs/dbraw/zinc/25/60/63/648256063.db2.gz WJRPFFVJJBHFGJ-RDBSUJKOSA-N 1 0 381.318 2.407 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)[C@H]1C ZINC000417605276 648256274 /nfs/dbraw/zinc/25/62/74/648256274.db2.gz XKJDHNOXYSUOHX-IHRRRGAJSA-N 1 0 381.318 2.420 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417741691 648260680 /nfs/dbraw/zinc/26/06/80/648260680.db2.gz ZHZNAYFQVIJIBC-WDEREUQCSA-N 1 0 393.289 2.126 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H]1C ZINC000417741681 648260864 /nfs/dbraw/zinc/26/08/64/648260864.db2.gz ZHZNAYFQVIJIBC-MNOVXSKESA-N 1 0 393.289 2.126 20 0 GEADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)NC[C@@H]1C[NH2+]CCO1 ZINC000417850376 648262979 /nfs/dbraw/zinc/26/29/79/648262979.db2.gz XNFFWUYPIGQSOS-JTQLQIEISA-N 1 0 382.675 2.313 20 0 GEADRO CN(C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC([NH3+])C1 ZINC000417826263 648263004 /nfs/dbraw/zinc/26/30/04/648263004.db2.gz DFOXRGRITKEDFU-UHFFFAOYSA-N 1 0 376.770 2.033 20 0 GEADRO Fc1ccc(C[NH2+]CCc2nnc3n2CCC3)c(I)c1 ZINC000417857457 648263551 /nfs/dbraw/zinc/26/35/51/648263551.db2.gz LKKIPKNVCLLURQ-UHFFFAOYSA-N 1 0 386.212 2.300 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417870527 648263572 /nfs/dbraw/zinc/26/35/72/648263572.db2.gz IKNYXBKYXKJUNG-ONGXEEELSA-N 1 0 379.814 2.227 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417885402 648264673 /nfs/dbraw/zinc/26/46/73/648264673.db2.gz IWQNYZZRBVRMJH-OLZOCXBDSA-N 1 0 383.334 2.448 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417899420 648265688 /nfs/dbraw/zinc/26/56/88/648265688.db2.gz KMULWUXKWNAPIQ-YPMHNXCESA-N 1 0 388.281 2.278 20 0 GEADRO CC(C)(CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1Br ZINC000417914168 648266156 /nfs/dbraw/zinc/26/61/56/648266156.db2.gz RSXDGXYWMRTXQN-CYBMUJFWSA-N 1 0 384.318 2.486 20 0 GEADRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(F)cc1I ZINC000417942295 648266715 /nfs/dbraw/zinc/26/67/15/648266715.db2.gz ZWODLIXKWIXBOX-SECBINFHSA-N 1 0 385.242 2.343 20 0 GEADRO OC[C@H]([NH2+]Cc1ccc(F)cc1I)C1CCOCC1 ZINC000417995493 648268231 /nfs/dbraw/zinc/26/82/31/648268231.db2.gz ZVQIUMCQIMZZDB-AWEZNQCLSA-N 1 0 379.213 2.307 20 0 GEADRO [NH3+]CCN(CCO)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000417996570 648268614 /nfs/dbraw/zinc/26/86/14/648268614.db2.gz BSRLBHUEQMEDGP-GFCCVEGCSA-N 1 0 398.223 2.405 20 0 GEADRO 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[NH3+]C[C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2I)C1 ZINC000418098141 648279466 /nfs/dbraw/zinc/27/94/66/648279466.db2.gz ZGUWXHYQGIIPJU-VIFPVBQESA-N 1 0 393.656 2.435 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418103493 648280055 /nfs/dbraw/zinc/28/00/55/648280055.db2.gz SZPNURJJHZAGHJ-BPLDGKMQSA-N 1 0 381.318 2.454 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000418106999 648280551 /nfs/dbraw/zinc/28/05/51/648280551.db2.gz CYLXBKKHVZTXNQ-CHWSQXEVSA-N 1 0 385.302 2.107 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)C(F)F ZINC000418107851 648280893 /nfs/dbraw/zinc/28/08/93/648280893.db2.gz ZVZKZZVFQHJHCJ-WCQYABFASA-N 1 0 391.260 2.310 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)C(F)F ZINC000418107852 648280967 /nfs/dbraw/zinc/28/09/67/648280967.db2.gz ZVZKZZVFQHJHCJ-YPMHNXCESA-N 1 0 391.260 2.310 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cc(C)nn1C ZINC000418122867 648282786 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COC[C@@]1(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CCC[NH2+]1 ZINC000418160073 648286063 /nfs/dbraw/zinc/28/60/63/648286063.db2.gz DRHBMEPXELPNFM-WBVHZDCISA-N 1 0 397.317 2.363 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCCCc2ccc(Cl)s2)C1 ZINC000418169317 648286207 /nfs/dbraw/zinc/28/62/07/648286207.db2.gz NAJGPOVYMCWUFY-ZDUSSCGKSA-N 1 0 386.949 2.221 20 0 GEADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N[C@H](C)C[NH3+])C1=O ZINC000418180850 648286818 /nfs/dbraw/zinc/28/68/18/648286818.db2.gz HWDHZQHQBAFRBG-TZMCWYRMSA-N 1 0 397.317 2.208 20 0 GEADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)N(C)CC[NH3+])C1=O ZINC000418180030 648286823 /nfs/dbraw/zinc/28/68/23/648286823.db2.gz GSVAOFBGZMEKAZ-AWEZNQCLSA-N 1 0 397.317 2.161 20 0 GEADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418218300 648287628 /nfs/dbraw/zinc/28/76/28/648287628.db2.gz QOWVGZYZDNYDCE-ZFWWWQNUSA-N 1 0 382.302 2.442 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418227137 648288203 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ZINC000418295156 648291235 /nfs/dbraw/zinc/29/12/35/648291235.db2.gz HHOYCQGNMVZSFN-UHFFFAOYSA-N 1 0 395.345 2.121 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418289628 648291269 /nfs/dbraw/zinc/29/12/69/648291269.db2.gz DGYOKINXNLJLJG-UHFFFAOYSA-N 1 0 399.308 2.167 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418295806 648291617 /nfs/dbraw/zinc/29/16/17/648291617.db2.gz FDBPBSWKTSTFAQ-UHFFFAOYSA-N 1 0 394.273 2.440 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)N(CCO)Cc1cc(Br)cs1 ZINC000418295832 648291751 /nfs/dbraw/zinc/29/17/51/648291751.db2.gz FHVZXOQHWXULMP-UHFFFAOYSA-N 1 0 376.320 2.157 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)NCCC[NH2+]C1CC1 ZINC000418305782 648292161 /nfs/dbraw/zinc/29/21/61/648292161.db2.gz ZRPAUHKSVPBWBL-UHFFFAOYSA-N 1 0 385.306 2.443 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000418307698 648292461 /nfs/dbraw/zinc/29/24/61/648292461.db2.gz ARFNWZLNQLKONY-VXGBXAGGSA-N 1 0 376.284 2.032 20 0 GEADRO C[C@H](NC(=O)NC[C@H](CO)Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418328454 648293001 /nfs/dbraw/zinc/29/30/01/648293001.db2.gz ASAWMRQCVKWPER-IMJJTQAJSA-N 1 0 398.345 2.287 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418330365 648293335 /nfs/dbraw/zinc/29/33/35/648293335.db2.gz CJTYSUYJXDFXKX-NEPJUHHUSA-N 1 0 376.284 2.032 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418351188 648294138 /nfs/dbraw/zinc/29/41/38/648294138.db2.gz ZHGAUQSWZIWXIQ-HNNXBMFYSA-N 1 0 395.345 2.276 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418346453 648294226 /nfs/dbraw/zinc/29/42/26/648294226.db2.gz MMFKPMKVMISSGV-CVEARBPZSA-N 1 0 398.345 2.289 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418381788 648295684 /nfs/dbraw/zinc/29/56/84/648295684.db2.gz XYXHJLWBOMVWPH-OAHLLOKOSA-N 1 0 387.311 2.393 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1c1ccccc1I ZINC000418385672 648295806 /nfs/dbraw/zinc/29/58/06/648295806.db2.gz PSDKHERVEPIHDE-BXUZGUMPSA-N 1 0 385.249 2.500 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000418392299 648296140 /nfs/dbraw/zinc/29/61/40/648296140.db2.gz WCAHWOUVRBTRSZ-GFCCVEGCSA-N 1 0 380.539 2.414 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000418404059 648296963 /nfs/dbraw/zinc/29/69/63/648296963.db2.gz CJDUJUQRKINPOK-HOCLYGCPSA-N 1 0 384.318 2.471 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000418404473 648297034 /nfs/dbraw/zinc/29/70/34/648297034.db2.gz CLPUNGKESKZALE-BXUZGUMPSA-N 1 0 383.290 2.204 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418478394 648297390 /nfs/dbraw/zinc/29/73/90/648297390.db2.gz XDLGRAYOJFTQPP-GFCCVEGCSA-N 1 0 387.297 2.010 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418478503 648297456 /nfs/dbraw/zinc/29/74/56/648297456.db2.gz ZDLFBQOLWCZLIS-ZBFHGGJFSA-N 1 0 386.334 2.417 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418488037 648298245 /nfs/dbraw/zinc/29/82/45/648298245.db2.gz KHFGNTPQGRWUKA-LBPRGKRZSA-N 1 0 397.317 2.404 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000418506453 648299182 /nfs/dbraw/zinc/29/91/82/648299182.db2.gz ILUMRXXTMHAVTF-UHFFFAOYSA-N 1 0 380.539 2.484 20 0 GEADRO C[C@H](C[NH3+])NC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000418517998 648299609 /nfs/dbraw/zinc/29/96/09/648299609.db2.gz WRZBYKTWZVLTOR-DGCLKSJQSA-N 1 0 387.265 2.212 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H](CO)Cc1ccccc1Br ZINC000418543735 648300992 /nfs/dbraw/zinc/30/09/92/648300992.db2.gz BTLFWCJMRXCSGE-DZGCQCFKSA-N 1 0 384.318 2.041 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000418548368 648301496 /nfs/dbraw/zinc/30/14/96/648301496.db2.gz ZLKJAZYPUYLETQ-MRXNPFEDSA-N 1 0 398.301 2.052 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418587159 648303057 /nfs/dbraw/zinc/30/30/57/648303057.db2.gz GIKRTGVZGBXWNG-NQBHXWOUSA-N 1 0 376.284 2.030 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418587756 648303088 /nfs/dbraw/zinc/30/30/88/648303088.db2.gz DIYBGRNIFRDDDB-CYBMUJFWSA-N 1 0 398.305 2.448 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418589699 648303640 /nfs/dbraw/zinc/30/36/40/648303640.db2.gz IZEQURFMGKCYSV-JDFRZJQESA-N 1 0 398.345 2.206 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC[NH2+]1 ZINC000418599677 648304035 /nfs/dbraw/zinc/30/40/35/648304035.db2.gz JQHVLJQZRUFFDM-IVMMDQJWSA-N 1 0 384.318 2.040 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418607858 648304514 /nfs/dbraw/zinc/30/45/14/648304514.db2.gz XZWDFPUXBARAIN-DGCLKSJQSA-N 1 0 390.297 2.036 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000418675482 648306990 /nfs/dbraw/zinc/30/69/90/648306990.db2.gz RAJKHFSIWLZJTI-WFASDCNBSA-N 1 0 397.317 2.149 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418675177 648307023 /nfs/dbraw/zinc/30/70/23/648307023.db2.gz QJBGNNRPZFQMQM-UHFFFAOYSA-N 1 0 399.333 2.400 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418737371 648308709 /nfs/dbraw/zinc/30/87/09/648308709.db2.gz ZLJKHNOBOOQERP-VXGBXAGGSA-N 1 0 387.297 2.151 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418758683 648309615 /nfs/dbraw/zinc/30/96/15/648309615.db2.gz IPMJBSJQTGLKLD-CYBMUJFWSA-N 1 0 389.725 2.148 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418758686 648309681 /nfs/dbraw/zinc/30/96/81/648309681.db2.gz IPMJBSJQTGLKLD-ZDUSSCGKSA-N 1 0 389.725 2.148 20 0 GEADRO C[C@@H](CN(C)C(=O)NC[C@H]1C[NH2+]CCN1C)Oc1ccc(Cl)c(Cl)c1 ZINC000418758790 648310134 /nfs/dbraw/zinc/31/01/34/648310134.db2.gz ISIJFGZTZWSDPT-QWHCGFSZSA-N 1 0 389.327 2.306 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000418762366 648310154 /nfs/dbraw/zinc/31/01/54/648310154.db2.gz LXZWTCRBYDDYBM-QGZVFWFLSA-N 1 0 395.345 2.242 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418761509 648310160 /nfs/dbraw/zinc/31/01/60/648310160.db2.gz KQDHUKWRAXUZIO-MLGOLLRUSA-N 1 0 377.897 2.414 20 0 GEADRO O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000418762973 648310368 /nfs/dbraw/zinc/31/03/68/648310368.db2.gz MLKJCLUFWFNESN-INIZCTEOSA-N 1 0 377.897 2.475 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000418768781 648311278 /nfs/dbraw/zinc/31/12/78/648311278.db2.gz SMPUEMRAJVYXLF-CZUORRHYSA-N 1 0 399.308 2.338 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418773501 648311783 /nfs/dbraw/zinc/31/17/83/648311783.db2.gz VJGWLVBXUGYSSA-CYBMUJFWSA-N 1 0 392.244 2.467 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000418776837 648312157 /nfs/dbraw/zinc/31/21/57/648312157.db2.gz XWTWOIWCUMGOEG-GJZGRUSLSA-N 1 0 386.265 2.423 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418775391 648312172 /nfs/dbraw/zinc/31/21/72/648312172.db2.gz ZSVSIJXCMKXHAV-HNNXBMFYSA-N 1 0 399.308 2.166 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000418776841 648312277 /nfs/dbraw/zinc/31/22/77/648312277.db2.gz XWTWOIWCUMGOEG-LSDHHAIUSA-N 1 0 386.265 2.423 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000418795758 648312899 /nfs/dbraw/zinc/31/28/99/648312899.db2.gz SLIAYSGXCZXDFD-IUODEOHRSA-N 1 0 376.284 2.095 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000418789922 648312915 /nfs/dbraw/zinc/31/29/15/648312915.db2.gz MFYPMCNHUWUDRN-AWEZNQCLSA-N 1 0 390.311 2.266 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000418799035 648313024 /nfs/dbraw/zinc/31/30/24/648313024.db2.gz VYBDXHXWGLUBCN-JYJNAYRXSA-N 1 0 398.345 2.335 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)C[C@@H]12 ZINC000418812887 648313511 /nfs/dbraw/zinc/31/35/11/648313511.db2.gz CGXKPHHGJZCXER-UPBMQRFZSA-N 1 0 382.291 2.161 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)C[C@@H]12 ZINC000418814101 648313611 /nfs/dbraw/zinc/31/36/11/648313611.db2.gz FPUVTXCXAZOZAF-BGTSTNQPSA-N 1 0 382.291 2.161 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418826407 648314835 /nfs/dbraw/zinc/31/48/35/648314835.db2.gz KXLDXVNTNTUPSV-NUEKZKHPSA-N 1 0 396.329 2.253 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)C1CCCC1 ZINC000418827349 648315151 /nfs/dbraw/zinc/31/51/51/648315151.db2.gz GTAZCEYTIJDUHR-XHSDSOJGSA-N 1 0 394.313 2.055 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418842235 648316583 /nfs/dbraw/zinc/31/65/83/648316583.db2.gz IFXWNXLBPKLXRE-XNRPHZJLSA-N 1 0 396.329 2.130 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418842199 648316598 /nfs/dbraw/zinc/31/65/98/648316598.db2.gz HZRLALNUNUQGTG-CJNGLKHVSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418846930 648316920 /nfs/dbraw/zinc/31/69/20/648316920.db2.gz UEIZPCVBSOZNOT-WWGRRREGSA-N 1 0 396.329 2.225 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418850240 648317337 /nfs/dbraw/zinc/31/73/37/648317337.db2.gz CDGASWTUYMKTJZ-OAHLLOKOSA-N 1 0 382.302 2.007 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418860043 648319218 /nfs/dbraw/zinc/31/92/18/648319218.db2.gz ZDRLHZJWPOJFGO-HNNXBMFYSA-N 1 0 384.318 2.206 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1 ZINC000418870876 648320041 /nfs/dbraw/zinc/32/00/41/648320041.db2.gz UQMOVDGBGQYPLD-IAQYHMDHSA-N 1 0 382.302 2.260 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000418874273 648320340 /nfs/dbraw/zinc/32/03/40/648320340.db2.gz ZKOQESAJUUFVRJ-OEYIWLLWSA-N 1 0 394.313 2.131 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418938330 648322996 /nfs/dbraw/zinc/32/29/96/648322996.db2.gz PRHNFPYBNOZXQE-OAHLLOKOSA-N 1 0 396.329 2.087 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418944171 648323767 /nfs/dbraw/zinc/32/37/67/648323767.db2.gz LVSNNEZTCMKNIZ-OAHLLOKOSA-N 1 0 382.302 2.262 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418946096 648323792 /nfs/dbraw/zinc/32/37/92/648323792.db2.gz QWDOXVPZJPKFOD-JKSUJKDBSA-N 1 0 396.329 2.384 20 0 GEADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CCC[NH2+]C1 ZINC000418947589 648324006 /nfs/dbraw/zinc/32/40/06/648324006.db2.gz SNSIMFJLDWPWEU-QAPCUYQASA-N 1 0 394.313 2.059 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418947608 648324053 /nfs/dbraw/zinc/32/40/53/648324053.db2.gz SPHBBKCHRAJURF-GHJWDPDVSA-N 1 0 394.313 2.138 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000418947550 648324070 /nfs/dbraw/zinc/32/40/70/648324070.db2.gz BAXWUVHKADOUFG-RBZYPMLTSA-N 1 0 388.295 2.400 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418951711 648324781 /nfs/dbraw/zinc/32/47/81/648324781.db2.gz UVVUKUNNURXINL-XHDPSFHLSA-N 1 0 382.302 2.260 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])ccc1Br ZINC000418989498 648326940 /nfs/dbraw/zinc/32/69/40/648326940.db2.gz JZSYJSLFRJVPPX-DOMZBBRYSA-N 1 0 382.302 2.102 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419017643 648327580 /nfs/dbraw/zinc/32/75/80/648327580.db2.gz GMARQUIJDYXKMT-CYBMUJFWSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419029629 648328741 /nfs/dbraw/zinc/32/87/41/648328741.db2.gz YUKYUKOVYTURBA-WOSRLPQWSA-N 1 0 396.329 2.001 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419034161 648329011 /nfs/dbraw/zinc/32/90/11/648329011.db2.gz CYMYVBAKVMZXMS-VIFPVBQESA-N 1 0 396.702 2.114 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419040126 648329117 /nfs/dbraw/zinc/32/91/17/648329117.db2.gz MAPNOYPBUNGMFT-ZIAGYGMSSA-N 1 0 384.307 2.110 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000419044886 648329821 /nfs/dbraw/zinc/32/98/21/648329821.db2.gz QWKKGAOEBBRJNX-ZJUUUORDSA-N 1 0 380.436 2.363 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000419045292 648329842 /nfs/dbraw/zinc/32/98/42/648329842.db2.gz VWWFCWUMWWKAKF-SNVBAGLBSA-N 1 0 394.686 2.092 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)c1nc(C(F)(F)F)cs1 ZINC000419045732 648329861 /nfs/dbraw/zinc/32/98/61/648329861.db2.gz TXHCUHBWKUHIOU-ZJUUUORDSA-N 1 0 380.436 2.219 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419052148 648330523 /nfs/dbraw/zinc/33/05/23/648330523.db2.gz HNOAJEXNBLSLQA-UMVBOHGHSA-N 1 0 396.329 2.095 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419053761 648330799 /nfs/dbraw/zinc/33/07/99/648330799.db2.gz KQQISBKHOUKWIW-VNHYZAJKSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419056319 648331143 /nfs/dbraw/zinc/33/11/43/648331143.db2.gz QOTHTTYFEQYDGS-GJZGRUSLSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419054944 648331233 /nfs/dbraw/zinc/33/12/33/648331233.db2.gz NEDVQPFTTNWOOW-GJZGRUSLSA-N 1 0 396.329 2.226 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419056980 648331453 /nfs/dbraw/zinc/33/14/53/648331453.db2.gz SXKFMHUBOKQJEJ-IOASZLSFSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000419060238 648331929 /nfs/dbraw/zinc/33/19/29/648331929.db2.gz YUAHWTGOBQQRFC-JGGQBBKZSA-N 1 0 396.329 2.143 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000419077278 648332859 /nfs/dbraw/zinc/33/28/59/648332859.db2.gz XBOBEPZCIONHJI-HNNXBMFYSA-N 1 0 382.302 2.007 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419109052 648334892 /nfs/dbraw/zinc/33/48/92/648334892.db2.gz REUJFBVSXHGXKB-JQWIXIFHSA-N 1 0 380.901 2.200 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000419124351 648334951 /nfs/dbraw/zinc/33/49/51/648334951.db2.gz IAGHQMIYFALEHG-BLLLJJGKSA-N 1 0 377.897 2.427 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419131283 648336285 /nfs/dbraw/zinc/33/62/85/648336285.db2.gz GOPPAODYSBAPIR-LBPRGKRZSA-N 1 0 390.709 2.208 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1)C1CC1 ZINC000419151067 648337162 /nfs/dbraw/zinc/33/71/62/648337162.db2.gz LYJUWPZDZLDQBF-HNNXBMFYSA-N 1 0 384.307 2.385 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000419157886 648337840 /nfs/dbraw/zinc/33/78/40/648337840.db2.gz WYSUBZAMVKUWRG-WFASDCNBSA-N 1 0 382.302 2.227 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)C[C@H]21 ZINC000419155382 648337886 /nfs/dbraw/zinc/33/78/86/648337886.db2.gz SVSSMAFEWZZGTL-DAXOMENPSA-N 1 0 384.307 2.238 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000419157776 648338028 /nfs/dbraw/zinc/33/80/28/648338028.db2.gz WQQMNXHDXOSCQA-SJCJKPOMSA-N 1 0 382.302 2.132 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2cccc(C)c2Br)CC1 ZINC000419161610 648338476 /nfs/dbraw/zinc/33/84/76/648338476.db2.gz DOOLBAQVHQYLDQ-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419168615 648338725 /nfs/dbraw/zinc/33/87/25/648338725.db2.gz SRGVACNDOPJGIL-WFASDCNBSA-N 1 0 382.302 2.102 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000419170287 648339405 /nfs/dbraw/zinc/33/94/05/648339405.db2.gz VVNQJHLQNCJWKS-KGLIPLIRSA-N 1 0 388.295 2.012 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000419170373 648339424 /nfs/dbraw/zinc/33/94/24/648339424.db2.gz HLNVWCTWGNVTKW-LBPRGKRZSA-N 1 0 384.307 2.339 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419189214 648340592 /nfs/dbraw/zinc/34/05/92/648340592.db2.gz PFYPDCYANMQIIC-CYBMUJFWSA-N 1 0 398.345 2.333 20 0 GEADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2ccsc2Br)cc1 ZINC000419193615 648340680 /nfs/dbraw/zinc/34/06/80/648340680.db2.gz ZLPIESVKYAGMPL-SNVBAGLBSA-N 1 0 396.310 2.463 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]C1 ZINC000419225954 648342260 /nfs/dbraw/zinc/34/22/60/648342260.db2.gz CXEUFFOOQKHETM-ZOWXZIJZSA-N 1 0 381.929 2.497 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C[C@H]1C[NH3+] ZINC000419215158 648342271 /nfs/dbraw/zinc/34/22/71/648342271.db2.gz LNTXQTUKQAXCBT-JMSVASOKSA-N 1 0 381.929 2.436 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419295825 648345337 /nfs/dbraw/zinc/34/53/37/648345337.db2.gz DEHWPQNCONHROL-BBRMVZONSA-N 1 0 396.329 2.410 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419300998 648346156 /nfs/dbraw/zinc/34/61/56/648346156.db2.gz NABVIDAIZMKMRX-AWEZNQCLSA-N 1 0 396.329 2.270 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000419322143 648347081 /nfs/dbraw/zinc/34/70/81/648347081.db2.gz GYPCZOOBOMQRPV-QWHCGFSZSA-N 1 0 395.301 2.386 20 0 GEADRO Cc1cc(NC(=O)CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1Br ZINC000419322249 648347199 /nfs/dbraw/zinc/34/71/99/648347199.db2.gz HGCYMXUWVRLZMJ-KGLIPLIRSA-N 1 0 384.318 2.083 20 0 GEADRO Cc1ccc(NC(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000419339222 648348279 /nfs/dbraw/zinc/34/82/79/648348279.db2.gz LUCOIBURFNQBRO-KBPBESRZSA-N 1 0 384.318 2.083 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCC(=O)Nc1ccccc1Br ZINC000419344569 648348782 /nfs/dbraw/zinc/34/87/82/648348782.db2.gz SBLJCBZRZJSLDL-ZIAGYGMSSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCOc1cc(F)cc(Br)c1 ZINC000419346745 648348847 /nfs/dbraw/zinc/34/88/47/648348847.db2.gz VVJBVGGIBZSZOZ-CHWSQXEVSA-N 1 0 375.282 2.354 20 0 GEADRO CC[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000419367995 648350413 /nfs/dbraw/zinc/35/04/13/648350413.db2.gz VYUYSVNZFVTNJX-BBRMVZONSA-N 1 0 396.329 2.002 20 0 GEADRO CC(C)(C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)C1(O)CCOCC1 ZINC000419379848 648351242 /nfs/dbraw/zinc/35/12/42/648351242.db2.gz XDGNVFJSXKHYBZ-AWEZNQCLSA-N 1 0 385.302 2.133 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(F)cc1Br ZINC000419433658 648352126 /nfs/dbraw/zinc/35/21/26/648352126.db2.gz INRMRWVOQYMKMB-NWDGAFQWSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1c(Cl)cccc1Cl ZINC000419513842 648355606 /nfs/dbraw/zinc/35/56/06/648355606.db2.gz GFFFRBBBBVIWPG-UPJWGTAASA-N 1 0 384.307 2.281 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br)[C@H]1CCC[NH2+]C1 ZINC000419594464 648357732 /nfs/dbraw/zinc/35/77/32/648357732.db2.gz ZQTHYTNKZVWAEU-MQIPJXDCSA-N 1 0 394.313 2.057 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)s1 ZINC000419674456 648362559 /nfs/dbraw/zinc/36/25/59/648362559.db2.gz ACOQERVIHDTQDH-AXFHLTTASA-N 1 0 388.331 2.131 20 0 GEADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(F)(F)F ZINC000419685710 648364969 /nfs/dbraw/zinc/36/49/69/648364969.db2.gz NJFDUOKCMSHSAB-SSDOTTSWSA-N 1 0 375.210 2.385 20 0 GEADRO OC[C@@H]([NH2+]Cc1c(Br)cncc1Br)C1CCOCC1 ZINC000419695893 648366147 /nfs/dbraw/zinc/36/61/47/648366147.db2.gz TYTWSUWTPXANNL-CYBMUJFWSA-N 1 0 394.107 2.484 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCCCO1 ZINC000419698331 648366454 /nfs/dbraw/zinc/36/64/54/648366454.db2.gz YSYWJVCULSCMHU-ZWNOBZJWSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)s1 ZINC000419709735 648369107 /nfs/dbraw/zinc/36/91/07/648369107.db2.gz NHMCIKIYJODRMQ-NFLHVTIKSA-N 1 0 386.315 2.087 20 0 GEADRO CC1(CNC(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000419730730 648372162 /nfs/dbraw/zinc/37/21/62/648372162.db2.gz QBVPFZXTTIKPTM-LBPRGKRZSA-N 1 0 386.279 2.049 20 0 GEADRO CC1(CNC(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000419730729 648372172 /nfs/dbraw/zinc/37/21/72/648372172.db2.gz QBVPFZXTTIKPTM-GFCCVEGCSA-N 1 0 386.279 2.049 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000419729965 648372180 /nfs/dbraw/zinc/37/21/80/648372180.db2.gz PEHYVTFHYLVHCY-OUJBWJOFSA-N 1 0 386.279 2.129 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000419736215 648372919 /nfs/dbraw/zinc/37/29/19/648372919.db2.gz WXEAZCCRURQCNQ-GXFFZTMASA-N 1 0 386.279 2.131 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000419737471 648373324 /nfs/dbraw/zinc/37/33/24/648373324.db2.gz YFCHOPDRVYRZFO-TVYUQYBPSA-N 1 0 386.279 2.177 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419752651 648374905 /nfs/dbraw/zinc/37/49/05/648374905.db2.gz WVENGEGFBRGSMO-HNNXBMFYSA-N 1 0 396.329 2.130 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1cc(F)cc(Br)c1 ZINC000419770584 648377291 /nfs/dbraw/zinc/37/72/91/648377291.db2.gz DSDFEMBNWAGRTR-UONOGXRCSA-N 1 0 386.265 2.024 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000419772706 648377374 /nfs/dbraw/zinc/37/73/74/648377374.db2.gz GYYOFBYUDZXVLR-UONOGXRCSA-N 1 0 386.265 2.009 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)C1 ZINC000419778835 648377760 /nfs/dbraw/zinc/37/77/60/648377760.db2.gz MTVFYSDEPOJRNA-CABCVRRESA-N 1 0 398.276 2.105 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419805928 648380625 /nfs/dbraw/zinc/38/06/25/648380625.db2.gz FCUZITWVQFWGIN-IPYPFGDCSA-N 1 0 396.329 2.082 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)CC1 ZINC000419807991 648380908 /nfs/dbraw/zinc/38/09/08/648380908.db2.gz GILLZPGTGCREAB-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419815317 648381497 /nfs/dbraw/zinc/38/14/97/648381497.db2.gz JTTSJRSEZUXHHO-ZDUSSCGKSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419825569 648382758 /nfs/dbraw/zinc/38/27/58/648382758.db2.gz QEFNHSGSZRBTGF-ZFWWWQNUSA-N 1 0 396.329 2.084 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419828958 648383121 /nfs/dbraw/zinc/38/31/21/648383121.db2.gz UROSLKYZNRYRKE-HNNXBMFYSA-N 1 0 396.329 2.053 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccc(Br)cc1 ZINC000419829069 648383163 /nfs/dbraw/zinc/38/31/63/648383163.db2.gz VHFGGTVCXDICDO-HNNXBMFYSA-N 1 0 396.329 2.101 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000419843886 648384940 /nfs/dbraw/zinc/38/49/40/648384940.db2.gz BMHLWIGFEDOJIE-UHFFFAOYSA-N 1 0 384.318 2.159 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCC[NH2+]C2)ccc1Br ZINC000419843269 648385029 /nfs/dbraw/zinc/38/50/29/648385029.db2.gz MKBWOOSDVCEYRX-HOCLYGCPSA-N 1 0 394.313 2.289 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419852887 648385305 /nfs/dbraw/zinc/38/53/05/648385305.db2.gz DKATWGOGYYVXFN-CHWSQXEVSA-N 1 0 394.313 2.011 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419906902 648387325 /nfs/dbraw/zinc/38/73/25/648387325.db2.gz AWJXXYDGJYAFKR-AWEZNQCLSA-N 1 0 396.329 2.302 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000419909794 648387784 /nfs/dbraw/zinc/38/77/84/648387784.db2.gz GTPPCDDGLUCCNB-XJKSGUPXSA-N 1 0 381.929 2.072 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419910392 648387874 /nfs/dbraw/zinc/38/78/74/648387874.db2.gz HTBVPFBYGQKHJB-BBRMVZONSA-N 1 0 394.313 2.228 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419923469 648388641 /nfs/dbraw/zinc/38/86/41/648388641.db2.gz BCYRXBRKHPROLR-ZDUSSCGKSA-N 1 0 384.318 2.159 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419931887 648389444 /nfs/dbraw/zinc/38/94/44/648389444.db2.gz DGYRHYBNHYPYRQ-OLZOCXBDSA-N 1 0 394.313 2.153 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419954360 648390938 /nfs/dbraw/zinc/39/09/38/648390938.db2.gz QFNDVWJVRPKOGY-WFASDCNBSA-N 1 0 382.302 2.084 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000419969870 648391834 /nfs/dbraw/zinc/39/18/34/648391834.db2.gz AOWYWYRPVAMMQA-QGZVFWFLSA-N 1 0 395.301 2.067 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419979238 648392328 /nfs/dbraw/zinc/39/23/28/648392328.db2.gz PGERFPOLEPYSRT-NWDGAFQWSA-N 1 0 390.311 2.191 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419979340 648392466 /nfs/dbraw/zinc/39/24/66/648392466.db2.gz PGERFPOLEPYSRT-VXGBXAGGSA-N 1 0 390.311 2.191 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419985500 648392926 /nfs/dbraw/zinc/39/29/26/648392926.db2.gz VUKPPORENRXNBE-MRXNPFEDSA-N 1 0 396.329 2.287 20 0 GEADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419989246 648393330 /nfs/dbraw/zinc/39/33/30/648393330.db2.gz AQPQELWDMIIQSX-HZPDHXFCSA-N 1 0 394.313 2.371 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N[C@@H](C)CC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000419990426 648393540 /nfs/dbraw/zinc/39/35/40/648393540.db2.gz HTVFMNMNTCUCEQ-WDEREUQCSA-N 1 0 376.284 2.073 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419989461 648393663 /nfs/dbraw/zinc/39/36/63/648393663.db2.gz BAKNSUPVEMDHQI-OAHLLOKOSA-N 1 0 382.302 2.056 20 0 GEADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000419998002 648394230 /nfs/dbraw/zinc/39/42/30/648394230.db2.gz KXSLNYCFFWUEBI-JKSUJKDBSA-N 1 0 381.929 2.215 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000420002107 648395020 /nfs/dbraw/zinc/39/50/20/648395020.db2.gz QZHJDIJNEPBLGK-LBPRGKRZSA-N 1 0 384.307 2.384 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCc1cc(Br)ccc1F ZINC000420011854 648395484 /nfs/dbraw/zinc/39/54/84/648395484.db2.gz IOUFDCKYJHTQGC-MRXNPFEDSA-N 1 0 375.282 2.340 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1cc(Cl)ccc1Br ZINC000420010291 648395497 /nfs/dbraw/zinc/39/54/97/648395497.db2.gz GSPJHGCZGXYKBI-OAHLLOKOSA-N 1 0 377.710 2.464 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420013781 648395784 /nfs/dbraw/zinc/39/57/84/648395784.db2.gz JMSHQRWLXBFYSQ-XJKSGUPXSA-N 1 0 396.329 2.350 20 0 GEADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000420023298 648396477 /nfs/dbraw/zinc/39/64/77/648396477.db2.gz ANXKZMAYAQBELD-HZMBPMFUSA-N 1 0 388.295 2.181 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)C1CC1 ZINC000420024443 648397008 /nfs/dbraw/zinc/39/70/08/648397008.db2.gz AIWNBUOYTVPCRY-GJZGRUSLSA-N 1 0 398.276 2.105 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000420032118 648397381 /nfs/dbraw/zinc/39/73/81/648397381.db2.gz FYFAPIQKJNNYTQ-KRWDZBQOSA-N 1 0 395.301 2.067 20 0 GEADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000420042375 648397887 /nfs/dbraw/zinc/39/78/87/648397887.db2.gz QMDKCPAYXLOVGG-YGRLFVJLSA-N 1 0 388.295 2.181 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000420055027 648398232 /nfs/dbraw/zinc/39/82/32/648398232.db2.gz YPTXVWSDRZFVSZ-DOMZBBRYSA-N 1 0 382.302 2.041 20 0 GEADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000420051900 648398353 /nfs/dbraw/zinc/39/83/53/648398353.db2.gz FHORZTSCNUWQRR-YGRLFVJLSA-N 1 0 388.295 2.181 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC000420065401 648399163 /nfs/dbraw/zinc/39/91/63/648399163.db2.gz PUHMBQLKQOSFHX-GJZGRUSLSA-N 1 0 398.276 2.105 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420069429 648399255 /nfs/dbraw/zinc/39/92/55/648399255.db2.gz HUSHCLQKYYPTFE-HNNXBMFYSA-N 1 0 382.302 2.041 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420074576 648399600 /nfs/dbraw/zinc/39/96/00/648399600.db2.gz QTDFLQPVIRCOQG-MRXNPFEDSA-N 1 0 396.329 2.431 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC(c3cccc(Br)c3)CC2)CCC1 ZINC000420088565 648400582 /nfs/dbraw/zinc/40/05/82/648400582.db2.gz HZZRRUFARURLTG-UHFFFAOYSA-N 1 0 394.313 2.153 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)NCC1([NH3+])CCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000420089584 648401144 /nfs/dbraw/zinc/40/11/44/648401144.db2.gz JYYNYPYLTLSGAU-NSHDSACASA-N 1 0 388.295 2.217 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420121663 648403345 /nfs/dbraw/zinc/40/33/45/648403345.db2.gz MRHDRGIJLFZBFE-UHFFFAOYSA-N 1 0 396.329 2.304 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420137615 648404960 /nfs/dbraw/zinc/40/49/60/648404960.db2.gz LPTXSOXDZHEAIA-GFCCVEGCSA-N 1 0 380.286 2.004 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000420136946 648404976 /nfs/dbraw/zinc/40/49/76/648404976.db2.gz GCTVAYRIIQYBJR-WCQYABFASA-N 1 0 388.295 2.087 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000420137157 648405088 /nfs/dbraw/zinc/40/50/88/648405088.db2.gz WRYCPFKARFCPGX-LBPRGKRZSA-N 1 0 386.323 2.499 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420148281 648406071 /nfs/dbraw/zinc/40/60/71/648406071.db2.gz UDNYOKKRBZJJHZ-XJKSGUPXSA-N 1 0 396.329 2.302 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000420164085 648407089 /nfs/dbraw/zinc/40/70/89/648407089.db2.gz FLMLYZVAIWERSO-IUODEOHRSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420169902 648407094 /nfs/dbraw/zinc/40/70/94/648407094.db2.gz WSKIGEBIQIFEPK-CYBMUJFWSA-N 1 0 394.313 2.395 20 0 GEADRO O=C1[C@H](N2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000420349119 648413513 /nfs/dbraw/zinc/41/35/13/648413513.db2.gz NUWBNUXMIBQMFQ-WMLDXEAASA-N 1 0 383.323 2.078 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1cccc(I)c1 ZINC000420357936 648413994 /nfs/dbraw/zinc/41/39/94/648413994.db2.gz IECQMSQNEGIKNZ-LBPRGKRZSA-N 1 0 375.254 2.193 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1cccc(I)c1 ZINC000420355262 648414153 /nfs/dbraw/zinc/41/41/53/648414153.db2.gz BXOHKLAABLUCCB-JRPNMDOOSA-N 1 0 387.265 2.206 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCS(=O)(=O)c1cccc(Br)c1 ZINC000420375561 648414461 /nfs/dbraw/zinc/41/44/61/648414461.db2.gz TXWVXLXYMHMBAU-TYNCELHUSA-N 1 0 375.332 2.199 20 0 GEADRO C[NH2+]CCCN(C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000420382995 648414985 /nfs/dbraw/zinc/41/49/85/648414985.db2.gz AWDINLVDIABJRB-NSHDSACASA-N 1 0 375.254 2.160 20 0 GEADRO C[NH2+]CCCN(C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000420391723 648415041 /nfs/dbraw/zinc/41/50/41/648415041.db2.gz UDJIQONTQLQAFE-LLVKDONJSA-N 1 0 375.254 2.160 20 0 GEADRO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cccc(I)c1 ZINC000420387860 648415202 /nfs/dbraw/zinc/41/52/02/648415202.db2.gz WETFUYSTKDUAOV-INIZCTEOSA-N 1 0 399.276 2.305 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000420449783 648417535 /nfs/dbraw/zinc/41/75/35/648417535.db2.gz OAPPNHNZWCISQH-ZDUSSCGKSA-N 1 0 379.320 2.418 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420450457 648417554 /nfs/dbraw/zinc/41/75/54/648417554.db2.gz HGSJFSLCDUBVOV-GXTWGEPZSA-N 1 0 376.906 2.161 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420450806 648417662 /nfs/dbraw/zinc/41/76/62/648417662.db2.gz HMPQVYDAUGBQTN-GHMZBOCLSA-N 1 0 377.304 2.172 20 0 GEADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)s1 ZINC000420450382 648417712 /nfs/dbraw/zinc/41/77/12/648417712.db2.gz PHLDUIDYYSUPTC-CQSZACIVSA-N 1 0 389.587 2.105 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000420467822 648418645 /nfs/dbraw/zinc/41/86/45/648418645.db2.gz STPKYKSRXPMOON-MWLCHTKSSA-N 1 0 386.848 2.015 20 0 GEADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000420475112 648420756 /nfs/dbraw/zinc/42/07/56/648420756.db2.gz ZXUHGFHFZHIQSG-UHFFFAOYSA-N 1 0 385.313 2.249 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420483308 648421256 /nfs/dbraw/zinc/42/12/56/648421256.db2.gz VVVBULMBHMTYKL-PWSUYJOCSA-N 1 0 391.331 2.372 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000420478871 648421512 /nfs/dbraw/zinc/42/15/12/648421512.db2.gz MAZGQRKZSXCTAE-ZDUSSCGKSA-N 1 0 390.296 2.069 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)CCSC1 ZINC000420664784 648429949 /nfs/dbraw/zinc/42/99/49/648429949.db2.gz FTPHGYRLAMGSOM-CQSZACIVSA-N 1 0 384.445 2.143 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000420773714 648455926 /nfs/dbraw/zinc/45/59/26/648455926.db2.gz XJPWLCZEOYKOSM-NSHDSACASA-N 1 0 377.869 2.152 20 0 GEADRO CN(CC(=O)Nc1ccccc1I)C[C@@H]1CCC[N@@H+]1C ZINC000421005791 648461975 /nfs/dbraw/zinc/46/19/75/648461975.db2.gz PKUUWRXXQBFBSP-LBPRGKRZSA-N 1 0 387.265 2.256 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCc2c1cccc2Br)C1=CC[N@H+](C)CC1 ZINC000421218131 648472525 /nfs/dbraw/zinc/47/25/25/648472525.db2.gz LADZBQASKIHFPX-GFCCVEGCSA-N 1 0 392.297 2.105 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)cc1Br ZINC000421291613 648484016 /nfs/dbraw/zinc/48/40/16/648484016.db2.gz YWOIZDUQIKCWQZ-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421292096 648484144 /nfs/dbraw/zinc/48/41/44/648484144.db2.gz AAQKLJYKTUFVFP-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO NC(=O)CC1(C[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000421350700 648488269 /nfs/dbraw/zinc/48/82/69/648488269.db2.gz MRLKWFSXPAPWMT-UHFFFAOYSA-N 1 0 380.176 2.315 20 0 GEADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000515518081 648498663 /nfs/dbraw/zinc/49/86/63/648498663.db2.gz ZIJLQJDSVDUTDY-URLYPYJESA-N 1 0 380.271 2.307 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000422274744 648532176 /nfs/dbraw/zinc/53/21/76/648532176.db2.gz YYSRURNJXMQEFF-UKRRQHHQSA-N 1 0 381.567 2.087 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000422274745 648532343 /nfs/dbraw/zinc/53/23/43/648532343.db2.gz YYSRURNJXMQEFF-ZFWWWQNUSA-N 1 0 381.567 2.087 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000422340899 648538470 /nfs/dbraw/zinc/53/84/70/648538470.db2.gz ZDZUCUNZKOWYKY-UHFFFAOYSA-N 1 0 394.313 2.142 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000422499412 648551776 /nfs/dbraw/zinc/55/17/76/648551776.db2.gz ZLVWNIDRVDEECZ-CQSZACIVSA-N 1 0 396.329 2.222 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CCC2(CC[NH2+]2)CC1 ZINC000422641301 648564574 /nfs/dbraw/zinc/56/45/74/648564574.db2.gz XLMCBVSEULJMKI-UHFFFAOYSA-N 1 0 399.276 2.366 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422929930 648577695 /nfs/dbraw/zinc/57/76/95/648577695.db2.gz AKPWCDIXTHBFAK-XOKHGSTOSA-N 1 0 396.329 2.159 20 0 GEADRO CC(C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H](C)[NH3+] ZINC000422933098 648577796 /nfs/dbraw/zinc/57/77/96/648577796.db2.gz GYGLWZPGWFGRCV-ZWNOBZJWSA-N 1 0 381.420 2.085 20 0 GEADRO COc1cc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc(Br)c1OC ZINC000422946860 648578201 /nfs/dbraw/zinc/57/82/01/648578201.db2.gz PMWWKQNXLLXKFI-CVEARBPZSA-N 1 0 385.302 2.323 20 0 GEADRO COc1cc(Br)c(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OC ZINC000422946280 648578313 /nfs/dbraw/zinc/57/83/13/648578313.db2.gz OROJOSZMSPBVFB-SJORKVTESA-N 1 0 385.302 2.323 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422957001 648578923 /nfs/dbraw/zinc/57/89/23/648578923.db2.gz RWLWWCFTXWOFJJ-FUHWJXTLSA-N 1 0 396.329 2.443 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422975920 648579417 /nfs/dbraw/zinc/57/94/17/648579417.db2.gz BZNCBBDITNXDPU-UHFFFAOYSA-N 1 0 384.307 2.397 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423107526 648580361 /nfs/dbraw/zinc/58/03/61/648580361.db2.gz SGUMPYXWXPBETJ-HNNXBMFYSA-N 1 0 382.302 2.136 20 0 GEADRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422995831 648580429 /nfs/dbraw/zinc/58/04/29/648580429.db2.gz ZLEUCKHPHRLPCB-RHSMWYFYSA-N 1 0 398.345 2.142 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000422994468 648580439 /nfs/dbraw/zinc/58/04/39/648580439.db2.gz HTNHZGZTDXUHFK-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423120235 648582401 /nfs/dbraw/zinc/58/24/01/648582401.db2.gz GLPFJJOGYPCEFE-UHFFFAOYSA-N 1 0 382.302 2.137 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423119923 648582558 /nfs/dbraw/zinc/58/25/58/648582558.db2.gz FWIWQWLILVMMIT-UHFFFAOYSA-N 1 0 384.318 2.256 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423122673 648582928 /nfs/dbraw/zinc/58/29/28/648582928.db2.gz KVTSGVHMYZQDGW-GDBMZVCRSA-N 1 0 380.286 2.356 20 0 GEADRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCc2ccc(I)s2)C1 ZINC000423130658 648584108 /nfs/dbraw/zinc/58/41/08/648584108.db2.gz HBDJDNMKXMGGJS-GXSJLCMTSA-N 1 0 378.279 2.400 20 0 GEADRO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1c(Br)cncc1Br ZINC000423155073 648585019 /nfs/dbraw/zinc/58/50/19/648585019.db2.gz ISZKUZWWZLCIEE-IYYTYJHQSA-N 1 0 393.123 2.449 20 0 GEADRO C[C@H](C[C@H]1COCC[NH2+]1)NCc1c(Br)cncc1Br ZINC000423163501 648585485 /nfs/dbraw/zinc/58/54/85/648585485.db2.gz VPVWQLURVCWFQF-ZJUUUORDSA-N 1 0 393.123 2.463 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423163997 648585602 /nfs/dbraw/zinc/58/56/02/648585602.db2.gz RZMPBJZCTNAOBL-ZOCIIQOWSA-N 1 0 397.357 2.265 20 0 GEADRO C[C@@H](C[C@H]1COCC[NH2+]1)NCc1c(Br)cncc1Br ZINC000423163499 648585655 /nfs/dbraw/zinc/58/56/55/648585655.db2.gz VPVWQLURVCWFQF-UWVGGRQHSA-N 1 0 393.123 2.463 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000423167363 648586064 /nfs/dbraw/zinc/58/60/64/648586064.db2.gz DYJXYPVKWFXHCP-HOTGVXAUSA-N 1 0 394.313 2.323 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)C1 ZINC000423172792 648586606 /nfs/dbraw/zinc/58/66/06/648586606.db2.gz VGSYHFXOQKQHHH-JQWIXIFHSA-N 1 0 388.331 2.055 20 0 GEADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423175191 648587047 /nfs/dbraw/zinc/58/70/47/648587047.db2.gz DIJYHAXLDUALCB-KBPBESRZSA-N 1 0 384.307 2.410 20 0 GEADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423196295 648587082 /nfs/dbraw/zinc/58/70/82/648587082.db2.gz ZHIFBSCDTBCRPM-UONOGXRCSA-N 1 0 384.307 2.410 20 0 GEADRO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423329194 648589459 /nfs/dbraw/zinc/58/94/59/648589459.db2.gz FDGVLDSSFZJQAW-NHYWBVRUSA-N 1 0 390.347 2.137 20 0 GEADRO COCC[NH2+]CCN[C@@H]1CCCOc2ccc(I)cc21 ZINC000423344562 648589638 /nfs/dbraw/zinc/58/96/38/648589638.db2.gz WZLAFVIZAVRALL-CQSZACIVSA-N 1 0 390.265 2.331 20 0 GEADRO COC[C@]1(CN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCC[NH2+]1 ZINC000423419943 648590712 /nfs/dbraw/zinc/59/07/12/648590712.db2.gz WSAMLTDAXUZQIA-MEBBXXQBSA-N 1 0 396.340 2.060 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423451351 648591236 /nfs/dbraw/zinc/59/12/36/648591236.db2.gz GMNUBADKZBAAMN-CYBMUJFWSA-N 1 0 396.329 2.302 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2C)C1 ZINC000423450018 648591249 /nfs/dbraw/zinc/59/12/49/648591249.db2.gz DGBZOLFOVKQEID-CQSZACIVSA-N 1 0 396.329 2.174 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N1CCC([NH3+])CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000423478470 648592094 /nfs/dbraw/zinc/59/20/94/648592094.db2.gz UQBHEVUNDJSXSG-LLVKDONJSA-N 1 0 388.295 2.169 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423551538 648595119 /nfs/dbraw/zinc/59/51/19/648595119.db2.gz BWKAMSFTPSGULC-LBPRGKRZSA-N 1 0 382.302 2.166 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000423560724 648595500 /nfs/dbraw/zinc/59/55/00/648595500.db2.gz LKOAFBICGONUPO-AVGNSLFASA-N 1 0 382.302 2.164 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000423563726 648595946 /nfs/dbraw/zinc/59/59/46/648595946.db2.gz ODQJJOQJFSGSRT-XUJVJEKNSA-N 1 0 382.302 2.164 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423589514 648596703 /nfs/dbraw/zinc/59/67/03/648596703.db2.gz FJRBDDRMFBKQPN-UHFFFAOYSA-N 1 0 384.318 2.241 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1csc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000423660706 648598430 /nfs/dbraw/zinc/59/84/30/648598430.db2.gz KSUSAQRAYIBXDG-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000423662077 648598899 /nfs/dbraw/zinc/59/88/99/648598899.db2.gz BHWCEWWPZIMAPP-CMPLNLGQSA-N 1 0 388.331 2.197 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000423675890 648598920 /nfs/dbraw/zinc/59/89/20/648598920.db2.gz ISHBLTPIXZCNGM-DOMZBBRYSA-N 1 0 382.302 2.136 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000423675892 648599044 /nfs/dbraw/zinc/59/90/44/648599044.db2.gz ISHBLTPIXZCNGM-IUODEOHRSA-N 1 0 382.302 2.136 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423668695 648599047 /nfs/dbraw/zinc/59/90/47/648599047.db2.gz WKAZSRWXKMWRQW-CZUORRHYSA-N 1 0 381.929 2.101 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423681628 648599340 /nfs/dbraw/zinc/59/93/40/648599340.db2.gz GCXWJXCTXSUTAM-BBRMVZONSA-N 1 0 396.329 2.178 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423681629 648599497 /nfs/dbraw/zinc/59/94/97/648599497.db2.gz GCXWJXCTXSUTAM-CJNGLKHVSA-N 1 0 396.329 2.178 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000423705250 648599805 /nfs/dbraw/zinc/59/98/05/648599805.db2.gz OCPFHUOQGUSGPO-CYBMUJFWSA-N 1 0 396.329 2.135 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423695498 648599869 /nfs/dbraw/zinc/59/98/69/648599869.db2.gz LGWCDGVEKRBNFW-CRAIPNDOSA-N 1 0 381.929 2.230 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000423715343 648600358 /nfs/dbraw/zinc/60/03/58/648600358.db2.gz HINCOOPVZYLJQL-MNOVXSKESA-N 1 0 376.284 2.025 20 0 GEADRO [NH3+]CC[C@H](NC(=O)Cc1ccc(I)cc1)C(F)(F)F ZINC000423748080 648601841 /nfs/dbraw/zinc/60/18/41/648601841.db2.gz ZGFUWIOXVAAWCG-JTQLQIEISA-N 1 0 386.155 2.230 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000423750317 648601960 /nfs/dbraw/zinc/60/19/60/648601960.db2.gz UQEPMKSCIRJBOI-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@H]([NH3+])C3CCC3)C2=O)ccc1Br ZINC000423851673 648602823 /nfs/dbraw/zinc/60/28/23/648602823.db2.gz URFOUALBPBIKMS-LSDHHAIUSA-N 1 0 380.286 2.106 20 0 GEADRO COCC[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)c1ccc(Cl)c(Cl)c1 ZINC000423926231 648603100 /nfs/dbraw/zinc/60/31/00/648603100.db2.gz CWDJSQXEWWVGFQ-CQSZACIVSA-N 1 0 386.283 2.441 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423955136 648605046 /nfs/dbraw/zinc/60/50/46/648605046.db2.gz ONABULYAFHUFCI-UGFHNGPFSA-N 1 0 382.302 2.009 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423955131 648605078 /nfs/dbraw/zinc/60/50/78/648605078.db2.gz ONABULYAFHUFCI-GLQYFDAESA-N 1 0 382.302 2.009 20 0 GEADRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc(I)cc32)C[C@@]1(C)C[NH3+] ZINC000423982480 648606871 /nfs/dbraw/zinc/60/68/71/648606871.db2.gz JLOBUTIOUIFBCA-RFAUZJTJSA-N 1 0 398.248 2.224 20 0 GEADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000423988325 648607322 /nfs/dbraw/zinc/60/73/22/648607322.db2.gz XLRZBRGYYUCTJY-QGZVFWFLSA-N 1 0 380.897 2.492 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423995152 648607525 /nfs/dbraw/zinc/60/75/25/648607525.db2.gz DGRMBVNQEKSAQJ-AWEZNQCLSA-N 1 0 378.274 2.285 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)COc3cc(Cl)ccc3Cl)C2)nn1 ZINC000423998893 648607887 /nfs/dbraw/zinc/60/78/87/648607887.db2.gz JLYRNNLGJSJROP-ZDUSSCGKSA-N 1 0 384.267 2.286 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccc(F)c(Br)c3)C2)nn1 ZINC000424008372 648609540 /nfs/dbraw/zinc/60/95/40/648609540.db2.gz WRQSDIFRMNXSBD-GFCCVEGCSA-N 1 0 382.237 2.116 20 0 GEADRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000424138438 648614876 /nfs/dbraw/zinc/61/48/76/648614876.db2.gz MQMFLLKCUJBGLP-BFHYXJOUSA-N 1 0 391.269 2.434 20 0 GEADRO COc1cc(Br)c(C[NH2+]CCCCS(C)(=O)=O)cc1OC ZINC000424175894 648616112 /nfs/dbraw/zinc/61/61/12/648616112.db2.gz VWLZQEJNBHAASA-UHFFFAOYSA-N 1 0 380.304 2.381 20 0 GEADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424226307 648620381 /nfs/dbraw/zinc/62/03/81/648620381.db2.gz OMHDJVWTGAVBTE-AKWBHNSASA-N 1 0 383.279 2.448 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3cc(F)c(F)cc3Br)C[C@H]2[NH3+])cn1 ZINC000424227284 648621040 /nfs/dbraw/zinc/62/10/40/648621040.db2.gz QFEMNKRTAWXMMI-IINYFYTJSA-N 1 0 385.212 2.028 20 0 GEADRO C[C@@H]1CC2(CN1C(=O)CNC(=O)c1cccc(Br)c1)CC[NH2+]CC2 ZINC000424229162 648621085 /nfs/dbraw/zinc/62/10/85/648621085.db2.gz YMMYPTQLDSIJOM-CYBMUJFWSA-N 1 0 394.313 2.170 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000424305370 648622538 /nfs/dbraw/zinc/62/25/38/648622538.db2.gz DKDCMAHVVQDRLS-MSOLQXFVSA-N 1 0 387.567 2.494 20 0 GEADRO COc1cc(Br)c(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1OC ZINC000424302067 648622723 /nfs/dbraw/zinc/62/27/23/648622723.db2.gz YVRSDTMCMKUOLN-DZGCQCFKSA-N 1 0 395.301 2.127 20 0 GEADRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(I)cc1 ZINC000424337468 648623133 /nfs/dbraw/zinc/62/31/33/648623133.db2.gz RVRSLSIGWDNMQQ-ZLKJLUDKSA-N 1 0 387.265 2.478 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000424336168 648623360 /nfs/dbraw/zinc/62/33/60/648623360.db2.gz YNJZJLJXOBCJHX-UWVGGRQHSA-N 1 0 394.324 2.160 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)NC[C@@H]1CCC[NH2+]1 ZINC000424475397 648630639 /nfs/dbraw/zinc/63/06/39/648630639.db2.gz JHMXYBAZLCEWNI-LBPRGKRZSA-N 1 0 393.656 2.496 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000424802353 648647998 /nfs/dbraw/zinc/64/79/98/648647998.db2.gz ZAVYAASUYRKQLU-LBPRGKRZSA-N 1 0 396.285 2.048 20 0 GEADRO CN(CCN(C)S(=O)(=O)CCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000425154151 648665222 /nfs/dbraw/zinc/66/52/22/648665222.db2.gz HKWTUBNPCOPGJX-UHFFFAOYSA-N 1 0 387.977 2.170 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425325486 648673418 /nfs/dbraw/zinc/67/34/18/648673418.db2.gz OIAVOCZLCIABFX-XHDPSFHLSA-N 1 0 399.276 2.499 20 0 GEADRO COCCOCC[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425518160 648683361 /nfs/dbraw/zinc/68/33/61/648683361.db2.gz MOMRAEYCTIUUOG-CVEARBPZSA-N 1 0 386.286 2.301 20 0 GEADRO COC(=O)c1cnc([C@H](C)NC(=O)NCC2(SC)CC[NH+](C)CC2)s1 ZINC000425552733 648684273 /nfs/dbraw/zinc/68/42/73/648684273.db2.gz QSGSDAYABGSKAJ-NSHDSACASA-N 1 0 386.543 2.117 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000425738242 648692220 /nfs/dbraw/zinc/69/22/20/648692220.db2.gz HDADRSFNOBNVNI-SNVBAGLBSA-N 1 0 375.803 2.290 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000425748262 648693551 /nfs/dbraw/zinc/69/35/51/648693551.db2.gz VBAPZCUMYJVAGU-LBPRGKRZSA-N 1 0 375.803 2.336 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000427068989 648721903 /nfs/dbraw/zinc/72/19/03/648721903.db2.gz GCJXCUHSMMFMMB-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO [NH3+]CCCNC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC000428460823 648734185 /nfs/dbraw/zinc/73/41/85/648734185.db2.gz HGUXRSPPPUTWPW-UHFFFAOYSA-N 1 0 392.179 2.127 20 0 GEADRO OC[C@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccc(Br)c(F)c1 ZINC000429010440 648742737 /nfs/dbraw/zinc/74/27/37/648742737.db2.gz PTVIWLQHAWETNY-LRDDRELGSA-N 1 0 388.233 2.382 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000429024632 648743215 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CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)CC1 ZINC000429894470 648757750 /nfs/dbraw/zinc/75/77/50/648757750.db2.gz DERLDJPFVDQQMQ-UHFFFAOYSA-N 1 0 398.301 2.259 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NCC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000430555065 648763319 /nfs/dbraw/zinc/76/33/19/648763319.db2.gz HSQSMEQAZKCDOO-KRWDZBQOSA-N 1 0 386.334 2.249 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccc(I)cc2)C1 ZINC000430563604 648763899 /nfs/dbraw/zinc/76/38/99/648763899.db2.gz JLHQCQGMJZFOQF-RYUDHWBXSA-N 1 0 387.265 2.289 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1cccc(I)c1 ZINC000430565731 648764098 /nfs/dbraw/zinc/76/40/98/648764098.db2.gz GAGXSEZQKKKAHX-CQSZACIVSA-N 1 0 375.254 2.193 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430695501 648765218 /nfs/dbraw/zinc/76/52/18/648765218.db2.gz HOWVDVMTOYFJDY-IINYFYTJSA-N 1 0 377.304 2.316 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430931328 648770548 /nfs/dbraw/zinc/77/05/48/648770548.db2.gz 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377.279 2.412 20 0 GEADRO O=S(=O)(NCC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000440804835 648814101 /nfs/dbraw/zinc/81/41/01/648814101.db2.gz OOPZNHKKXCMVSJ-DZGCQCFKSA-N 1 0 388.917 2.176 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000440837075 648815540 /nfs/dbraw/zinc/81/55/40/648815540.db2.gz WVDSYKPBOYCCTJ-OAHLLOKOSA-N 1 0 390.347 2.183 20 0 GEADRO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cc(C(F)(F)F)ccc1Br ZINC000440838164 648815900 /nfs/dbraw/zinc/81/59/00/648815900.db2.gz NSHKCOMDIPZYFU-QMMMGPOBSA-N 1 0 387.221 2.356 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000440842264 648815985 /nfs/dbraw/zinc/81/59/85/648815985.db2.gz DSOYQEUPADQWQC-FRRDWIJNSA-N 1 0 376.906 2.112 20 0 GEADRO C[C@]1(CNS(=O)(=O)c2cc(Br)c(F)cc2F)CCC[NH2+]C1 ZINC000440840251 648815986 /nfs/dbraw/zinc/81/59/86/648815986.db2.gz DUSRIVIQXOQXPW-ZDUSSCGKSA-N 1 0 383.258 2.395 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000440840241 648816021 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CCCc1c(C(=O)NC[C@@H](C)C[NH3+])nnn1Cc1cccc(Br)c1 ZINC000441621868 648832767 /nfs/dbraw/zinc/83/27/67/648832767.db2.gz PKQFNVQBRORXML-LBPRGKRZSA-N 1 0 394.317 2.366 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000441625711 648832777 /nfs/dbraw/zinc/83/27/77/648832777.db2.gz ZFCAHTXLKTWOER-JSGCOSHPSA-N 1 0 396.329 2.321 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000442143835 648839276 /nfs/dbraw/zinc/83/92/76/648839276.db2.gz HKLDDPMZVYNTQG-GXSJLCMTSA-N 1 0 375.803 2.479 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000442615393 648846776 /nfs/dbraw/zinc/84/67/76/648846776.db2.gz DEEQXFHGWUVVMD-AWEZNQCLSA-N 1 0 385.555 2.124 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000443081693 648860107 /nfs/dbraw/zinc/86/01/07/648860107.db2.gz WTRZYNBTVAXBDV-LBPRGKRZSA-N 1 0 389.543 2.109 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccc(Br)s1 ZINC000443317710 648872229 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Cc1n[nH]cc1-c1nnc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)s1 ZINC000548739281 651084039 /nfs/dbraw/zinc/08/40/39/651084039.db2.gz CDQIOOYXZRZMTB-LBPRGKRZSA-N 1 0 377.499 2.723 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COC[C@@H]1CCCO1 ZINC000548852981 651087663 /nfs/dbraw/zinc/08/76/63/651087663.db2.gz IZTYNJCQXFBOTC-WWGRRREGSA-N 1 0 386.286 2.419 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000548931532 651089616 /nfs/dbraw/zinc/08/96/16/651089616.db2.gz PFIPJJCGMQUNOA-NEPJUHHUSA-N 1 0 391.331 2.390 20 0 GEADRO CSc1cccc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1 ZINC000548979848 651090326 /nfs/dbraw/zinc/09/03/26/651090326.db2.gz UEUGJJPVBJCMAN-UHFFFAOYSA-N 1 0 388.555 2.303 20 0 GEADRO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549116613 651092223 /nfs/dbraw/zinc/09/22/23/651092223.db2.gz QZDUWHSHOWUSAT-JKSUJKDBSA-N 1 0 377.913 2.143 20 0 GEADRO Cc1cc(Cl)cc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000549764805 651100381 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GEADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000643346099 651483674 /nfs/dbraw/zinc/48/36/74/651483674.db2.gz YXRVVXKCVAFQFF-GFCCVEGCSA-N 1 0 380.938 2.378 20 0 GEADRO Cc1cc(C(C)(C)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)ccc1Br ZINC000562060698 651487373 /nfs/dbraw/zinc/48/73/73/651487373.db2.gz YFFQYKYCMJLJCX-LBPRGKRZSA-N 1 0 384.318 2.175 20 0 GEADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000562063196 651487880 /nfs/dbraw/zinc/48/78/80/651487880.db2.gz BDAVQHFWAFIITM-ZFWWWQNUSA-N 1 0 381.416 2.306 20 0 GEADRO CSC1(CNS(=O)(=O)c2cnccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000562069129 651488260 /nfs/dbraw/zinc/48/82/60/651488260.db2.gz RQXXVJHPTUBQKD-UHFFFAOYSA-N 1 0 383.461 2.206 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000643508974 651489002 /nfs/dbraw/zinc/48/90/02/651489002.db2.gz YDOCMQBMPQFLMR-GOEBONIOSA-N 1 0 396.329 2.036 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N(CC)Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000643487680 651489016 /nfs/dbraw/zinc/48/90/16/651489016.db2.gz GCNRXGCEYGBKRC-GDBMZVCRSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000643488489 651489104 /nfs/dbraw/zinc/48/91/04/651489104.db2.gz PUSUSLPUTMTENV-ZIBATOQPSA-N 1 0 388.295 2.087 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ncc(I)s2)C1 ZINC000603426186 651489324 /nfs/dbraw/zinc/48/93/24/651489324.db2.gz ALOHUDBXNYXOJX-SECBINFHSA-N 1 0 379.267 2.350 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ncc(I)s1 ZINC000603426265 651489686 /nfs/dbraw/zinc/48/96/86/651489686.db2.gz DETDAFIDLVFXIG-UHFFFAOYSA-N 1 0 377.251 2.104 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ncc(I)s1 ZINC000603428440 651490376 /nfs/dbraw/zinc/49/03/76/651490376.db2.gz SOLIATPCRCYYCV-DTWKUNHWSA-N 1 0 377.251 2.104 20 0 GEADRO CCOC(=O)c1ccc(S(=O)(=O)NCCC(C)(C)[NH3+])c(Br)c1 ZINC000603434999 651492180 /nfs/dbraw/zinc/49/21/80/651492180.db2.gz WAUJREDKCGEURA-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO O=C(NCc1cnc2n1CCCC2)c1ncc(I)s1 ZINC000603435183 651492200 /nfs/dbraw/zinc/49/22/00/651492200.db2.gz SDLXQBHAHUSANM-UHFFFAOYSA-N 1 0 388.234 2.211 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCOCC1CC1 ZINC000726710305 651499806 /nfs/dbraw/zinc/49/98/06/651499806.db2.gz ZALDXMDXQYWQSJ-CQSZACIVSA-N 1 0 375.922 2.111 20 0 GEADRO C[C@@]1(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000562976026 651504567 /nfs/dbraw/zinc/50/45/67/651504567.db2.gz MYSNLURTUJPZEV-CRAIPNDOSA-N 1 0 381.929 2.361 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000562977747 651504640 /nfs/dbraw/zinc/50/46/40/651504640.db2.gz MUSXRAMXQRDTKO-CQSZACIVSA-N 1 0 385.555 2.185 20 0 GEADRO C[C@H](C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO)C1C[NH2+]C1 ZINC000563094548 651509580 /nfs/dbraw/zinc/50/95/80/651509580.db2.gz NHEAFBMCYHJREM-NSHDSACASA-N 1 0 393.285 2.099 20 0 GEADRO C[C@@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)C1C[NH2+]C1 ZINC000563095159 651509588 /nfs/dbraw/zinc/50/95/88/651509588.db2.gz QYRPMHHQIQKCMA-GFCCVEGCSA-N 1 0 384.293 2.088 20 0 GEADRO [NH3+]C[C@@H](NC(=O)CNC(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000563103355 651510073 /nfs/dbraw/zinc/51/00/73/651510073.db2.gz JHEPYMSOEKUDEM-OAHLLOKOSA-N 1 0 382.302 2.203 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCCC[NH2+]C(C)C ZINC000563101101 651510191 /nfs/dbraw/zinc/51/01/91/651510191.db2.gz WGDCLRXQMAFCJO-UHFFFAOYSA-N 1 0 391.331 2.279 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000727075761 651510947 /nfs/dbraw/zinc/51/09/47/651510947.db2.gz SXTFGIOGVXAYMS-UHFFFAOYSA-N 1 0 376.523 2.071 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)COc1cc(F)cc(Br)c1 ZINC000563137451 651511419 /nfs/dbraw/zinc/51/14/19/651511419.db2.gz FJOMCWPTPYKUQM-YUTCNCBUSA-N 1 0 398.219 2.466 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000727081146 651511910 /nfs/dbraw/zinc/51/19/10/651511910.db2.gz UMNWFBYYCPWIKQ-UHFFFAOYSA-N 1 0 382.599 2.405 20 0 GEADRO COc1ccc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Br ZINC000604351321 651512798 /nfs/dbraw/zinc/51/27/98/651512798.db2.gz MCAZTAUEBFIPMW-OAHLLOKOSA-N 1 0 396.329 2.310 20 0 GEADRO Cc1cccc(I)c1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000563160513 651513170 /nfs/dbraw/zinc/51/31/70/651513170.db2.gz PKVPZIUJXSVYQR-SNVBAGLBSA-N 1 0 380.176 2.327 20 0 GEADRO Cc1nnc([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)[nH]1 ZINC000563232801 651518576 /nfs/dbraw/zinc/51/85/76/651518576.db2.gz BBPAACWCDVGMMA-GXTWGEPZSA-N 1 0 381.274 2.105 20 0 GEADRO CC1(C)C[NH2+]CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000644076115 651520338 /nfs/dbraw/zinc/52/03/38/651520338.db2.gz ZSSDRHJLFRLXIM-UHFFFAOYSA-N 1 0 383.290 2.171 20 0 GEADRO CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000644075878 651520454 /nfs/dbraw/zinc/52/04/54/651520454.db2.gz PKRIHKLEOGVJFJ-GFCCVEGCSA-N 1 0 380.286 2.012 20 0 GEADRO COCC[NH2+]C1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000563269596 651521520 /nfs/dbraw/zinc/52/15/20/651521520.db2.gz XFXBTEJQRIRPAB-KRWDZBQOSA-N 1 0 396.329 2.255 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(OC(F)(F)F)c1F ZINC000644176858 651524219 /nfs/dbraw/zinc/52/42/19/651524219.db2.gz YAGZFMQGNAMZRO-LLVKDONJSA-N 1 0 382.379 2.487 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000563477727 651526535 /nfs/dbraw/zinc/52/65/35/651526535.db2.gz PJYHXFMEEQWYEK-VIFPVBQESA-N 1 0 379.766 2.374 20 0 GEADRO CN1CCN(C(=O)Nc2cccc3cc(Br)cnc32)[C@@H](C[NH3+])C1 ZINC000563498403 651527413 /nfs/dbraw/zinc/52/74/13/651527413.db2.gz UJJYNLIUUVJWBM-ZDUSSCGKSA-N 1 0 378.274 2.104 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000605161008 651530683 /nfs/dbraw/zinc/53/06/83/651530683.db2.gz SSLQOYIKDRNQBT-GFCCVEGCSA-N 1 0 391.331 2.420 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)[C@@H]2C1 ZINC000644297977 651532460 /nfs/dbraw/zinc/53/24/60/651532460.db2.gz CYRYWXKGGLPSGU-JOYOIKCWSA-N 1 0 379.707 2.427 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000644301936 651533237 /nfs/dbraw/zinc/53/32/37/651533237.db2.gz VJDHERMLGJJQCR-ZANVPECISA-N 1 0 379.707 2.427 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644300594 651533452 /nfs/dbraw/zinc/53/34/52/651533452.db2.gz ISLMUOGTFZVEDC-UKRRQHHQSA-N 1 0 388.917 2.080 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000563587825 651534704 /nfs/dbraw/zinc/53/47/04/651534704.db2.gz ZXKXMQMBXLAAKO-SMDDNHRTSA-N 1 0 388.281 2.197 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)[C@H]1CCOC1 ZINC000605318782 651534788 /nfs/dbraw/zinc/53/47/88/651534788.db2.gz RHUWEJKFUSDLFT-HNNXBMFYSA-N 1 0 380.432 2.188 20 0 GEADRO Fc1ccc(I)c(F)c1C[NH2+]CCN1CCCOCC1 ZINC000563655182 651535380 /nfs/dbraw/zinc/53/53/80/651535380.db2.gz HHKYVJUNOWNOCG-UHFFFAOYSA-N 1 0 396.219 2.381 20 0 GEADRO C[N@H+](CCNc1ncc(Br)cc1S(N)(=O)=O)C1CCCCC1 ZINC000563659237 651535933 /nfs/dbraw/zinc/53/59/33/651535933.db2.gz ZYUADOCAJSWIJN-UHFFFAOYSA-N 1 0 391.335 2.168 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](C(C)(C)CO)CC2)c(Br)c1 ZINC000605420629 651536479 /nfs/dbraw/zinc/53/64/79/651536479.db2.gz SVHBPCRSQNTQSK-AWEZNQCLSA-N 1 0 398.345 2.473 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)Cc1ccccc1I ZINC000563744404 651541897 /nfs/dbraw/zinc/54/18/97/651541897.db2.gz KQOKTCKILZPYFH-UHFFFAOYSA-N 1 0 398.248 2.231 20 0 GEADRO C[NH+](C)CCCNC(=S)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000728451040 651543747 /nfs/dbraw/zinc/54/37/47/651543747.db2.gz ILAJSPUSUAPELC-AWEZNQCLSA-N 1 0 385.375 2.444 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000728450768 651543883 /nfs/dbraw/zinc/54/38/83/651543883.db2.gz GYFMKNWQCCJMPO-UHFFFAOYSA-N 1 0 384.908 2.416 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCCc2cccc(Br)c2)C1 ZINC000605879371 651545623 /nfs/dbraw/zinc/54/56/23/651545623.db2.gz ISZAVRNPQXPXSN-INIZCTEOSA-N 1 0 384.318 2.402 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563882591 651546310 /nfs/dbraw/zinc/54/63/10/651546310.db2.gz AZEACMBLICKPET-JSGCOSHPSA-N 1 0 392.301 2.154 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CC[C@@H](Nc2ncccn2)C1)c1ccc(Br)cc1 ZINC000563960905 651548639 /nfs/dbraw/zinc/54/86/39/651548639.db2.gz XWZZNBIIKVKYEE-RHSMWYFYSA-N 1 0 390.285 2.126 20 0 GEADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000728688413 651551076 /nfs/dbraw/zinc/55/10/76/651551076.db2.gz OREKCBDDHGHFKV-LSDHHAIUSA-N 1 0 377.551 2.036 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000606437845 651553322 /nfs/dbraw/zinc/55/33/22/651553322.db2.gz DDCMYRXTQRLPDR-SJORKVTESA-N 1 0 396.329 2.162 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000644554573 651553684 /nfs/dbraw/zinc/55/36/84/651553684.db2.gz QNHIRJVKDCMOJO-SLEUVZQESA-N 1 0 380.432 2.447 20 0 GEADRO C[C@H]([NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000644554817 651554044 /nfs/dbraw/zinc/55/40/44/651554044.db2.gz QUUUSEWDIKMFKA-WHOFXGATSA-N 1 0 380.432 2.433 20 0 GEADRO O=C(NCc1n[nH]cc1Br)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000606485324 651556145 /nfs/dbraw/zinc/55/61/45/651556145.db2.gz QFOWGVIFFVKADW-UHFFFAOYSA-N 1 0 393.289 2.031 20 0 GEADRO C[C@H](CNC(=O)NCc1n[nH]cc1Br)[N@H+](C)Cc1ccccc1 ZINC000606503855 651556592 /nfs/dbraw/zinc/55/65/92/651556592.db2.gz KPFXSOCLGPFMOT-GFCCVEGCSA-N 1 0 380.290 2.492 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000728965208 651556610 /nfs/dbraw/zinc/55/66/10/651556610.db2.gz QGIYEDJWDIWPEG-LLVKDONJSA-N 1 0 391.331 2.313 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1Br ZINC000564150535 651557225 /nfs/dbraw/zinc/55/72/25/651557225.db2.gz SJJNJYWMJMBSQS-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000644605860 651558075 /nfs/dbraw/zinc/55/80/75/651558075.db2.gz HSZNITRTAYATSC-GXTWGEPZSA-N 1 0 388.942 2.434 20 0 GEADRO O=S1(=O)CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644619795 651558693 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/nfs/dbraw/zinc/68/35/30/651683530.db2.gz WJKUDIXLMAUQCE-UHFFFAOYSA-N 1 0 385.917 2.269 20 0 GEADRO O=C(Nc1nnc(SCc2ccccc2)s1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000568845193 651684169 /nfs/dbraw/zinc/68/41/69/651684169.db2.gz ARNDLDZHVXRUTN-QGZVFWFLSA-N 1 0 375.523 3.048 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000568856474 651684662 /nfs/dbraw/zinc/68/46/62/651684662.db2.gz FSDZBVBTBVMWPX-BBRMVZONSA-N 1 0 394.313 2.310 20 0 GEADRO COC[C@@H](O)C[NH2+]Cc1cc(Cl)c(I)cc1OC ZINC000568859139 651684931 /nfs/dbraw/zinc/68/49/31/651684931.db2.gz CSNAKSVUMXIMDZ-VIFPVBQESA-N 1 0 385.629 2.050 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ccc(Br)c(F)c1 ZINC000646286995 651685823 /nfs/dbraw/zinc/68/58/23/651685823.db2.gz RGLVWGJGQZFZGY-JTQLQIEISA-N 1 0 387.253 2.172 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cc(F)ccc1Br ZINC000646306190 651686269 /nfs/dbraw/zinc/68/62/69/651686269.db2.gz RWRUKXBCKHZCDE-JTQLQIEISA-N 1 0 387.253 2.172 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646340776 651689517 /nfs/dbraw/zinc/68/95/17/651689517.db2.gz IDLCXPGKEDPTHY-LDYMZIIASA-N 1 0 389.091 2.431 20 0 GEADRO Cc1cc(Br)cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000646367189 651692529 /nfs/dbraw/zinc/69/25/29/651692529.db2.gz RBIFGBSYGTWHDR-LBPRGKRZSA-N 1 0 383.290 2.341 20 0 GEADRO Nc1cc(Br)ccc1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000646391348 651693567 /nfs/dbraw/zinc/69/35/67/651693567.db2.gz LAQNZDVOCSQOBY-UHFFFAOYSA-N 1 0 390.285 2.308 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NCCC[NH2+]C1CC1 ZINC000568985449 651694005 /nfs/dbraw/zinc/69/40/05/651694005.db2.gz DXJUJQARNMXMGU-UHFFFAOYSA-N 1 0 383.290 2.219 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc(-c2cccc(Cl)c2)nn1CCO ZINC000646420102 651695377 /nfs/dbraw/zinc/69/53/77/651695377.db2.gz QBKUDLYDLPMXGY-AWEZNQCLSA-N 1 0 380.901 2.229 20 0 GEADRO O=C(C[C@H]1C[NH2+]CCO1)NCc1cc(Br)ccc1Br ZINC000646436645 651696724 /nfs/dbraw/zinc/69/67/24/651696724.db2.gz PCEGXWOMBGCOAE-NSHDSACASA-N 1 0 392.091 2.206 20 0 GEADRO CC(C)n1cc(Br)cc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000646456162 651697151 /nfs/dbraw/zinc/69/71/51/651697151.db2.gz TYJBFZCVMDMCAM-UHFFFAOYSA-N 1 0 383.334 2.151 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)C3(c4cccc(Br)c4)CC3)C2)CC1 ZINC000646458270 651697297 /nfs/dbraw/zinc/69/72/97/651697297.db2.gz QAWNJGXGCKBQOL-UHFFFAOYSA-N 1 0 392.341 2.187 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000646472011 651698325 /nfs/dbraw/zinc/69/83/25/651698325.db2.gz ABVMGDIANXIEMO-KGLIPLIRSA-N 1 0 385.555 2.087 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000646519208 651698962 /nfs/dbraw/zinc/69/89/62/651698962.db2.gz WXPFSEMITNQXSV-UHFFFAOYSA-N 1 0 378.274 2.204 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646543706 651700334 /nfs/dbraw/zinc/70/03/34/651700334.db2.gz FWZIIFGANLWIOP-GFCCVEGCSA-N 1 0 380.905 2.226 20 0 GEADRO C[C@H]([C@H](C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)N1CCOCC1 ZINC000569111077 651701525 /nfs/dbraw/zinc/70/15/25/651701525.db2.gz NRXAQELOQZCJSP-BFHYXJOUSA-N 1 0 377.312 2.432 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000733367539 651703164 /nfs/dbraw/zinc/70/31/64/651703164.db2.gz FEHODVCOITYTLV-ZDUSSCGKSA-N 1 0 397.317 2.371 20 0 GEADRO CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000569234891 651703638 /nfs/dbraw/zinc/70/36/38/651703638.db2.gz AUIWRQMWCFHNRZ-OAHLLOKOSA-N 1 0 382.302 2.166 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569330884 651706868 /nfs/dbraw/zinc/70/68/68/651706868.db2.gz DRDBDGRSIJANMC-MRXNPFEDSA-N 1 0 384.249 2.129 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3[nH]nc(C4CC4)c3Br)CC2)C1 ZINC000569360735 651709223 /nfs/dbraw/zinc/70/92/23/651709223.db2.gz MZYGDZLZKTWWSX-OLZOCXBDSA-N 1 0 397.317 2.408 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)ccc1F)[C@@H]1CC[N@H+](C)C1 ZINC000646765560 651717466 /nfs/dbraw/zinc/71/74/66/651717466.db2.gz FKPSPDRSDXXDCJ-GFCCVEGCSA-N 1 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ZINC000646919041 651727614 /nfs/dbraw/zinc/72/76/14/651727614.db2.gz DNGBSVQYYPUMGU-LRDDRELGSA-N 1 0 377.282 2.212 20 0 GEADRO CCCN(C(=O)C(=O)NCc1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000646978312 651731086 /nfs/dbraw/zinc/73/10/86/651731086.db2.gz YQYPXRXGYGWBGZ-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC000646967030 651731325 /nfs/dbraw/zinc/73/13/25/651731325.db2.gz PTRQIEGHTWBLQY-UHOFOFEASA-N 1 0 382.913 2.232 20 0 GEADRO [NH3+]C[C@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CCCCC1 ZINC000569926151 651733873 /nfs/dbraw/zinc/73/38/73/651733873.db2.gz NXRCCJUPFORXJF-AWEZNQCLSA-N 1 0 396.285 2.417 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c(F)c1 ZINC000647190041 651734614 /nfs/dbraw/zinc/73/46/14/651734614.db2.gz FSAZMLCRVKODHJ-AWEZNQCLSA-N 1 0 383.876 2.495 20 0 GEADRO COc1ncncc1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000647182156 651734683 /nfs/dbraw/zinc/73/46/83/651734683.db2.gz KVIDFEBCAQRFCR-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/73/72/45/651737245.db2.gz NCLHDCUWJMYMQG-HZMBPMFUSA-N 1 0 389.905 2.055 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1Cl ZINC000647227265 651737823 /nfs/dbraw/zinc/73/78/23/651737823.db2.gz ZOVWEWFLMDJSMH-CYBMUJFWSA-N 1 0 383.297 2.034 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000647229770 651737827 /nfs/dbraw/zinc/73/78/27/651737827.db2.gz AMFZCUZXCPSHLD-RYUDHWBXSA-N 1 0 381.523 2.443 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)CC[C@H]1[NH3+] ZINC000647269965 651738295 /nfs/dbraw/zinc/73/82/95/651738295.db2.gz HILHIPJRXKJXMV-DGCLKSJQSA-N 1 0 389.905 2.055 20 0 GEADRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000570048141 651742285 /nfs/dbraw/zinc/74/22/85/651742285.db2.gz JFEBTAGFAKHYTB-ZDUSSCGKSA-N 1 0 384.318 2.290 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc21 ZINC000647304773 651742873 /nfs/dbraw/zinc/74/28/73/651742873.db2.gz FEEWCAZXTJXOML-NHYWBVRUSA-N 1 0 398.326 2.313 20 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651751453 /nfs/dbraw/zinc/75/14/53/651751453.db2.gz ATHLVIOBNBRZSK-SDBXPKJASA-N 1 0 379.258 2.244 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000647677949 651754082 /nfs/dbraw/zinc/75/40/82/651754082.db2.gz IYQROLSWFMWTJL-UKRRQHHQSA-N 1 0 398.320 2.273 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000647677948 651754283 /nfs/dbraw/zinc/75/42/83/651754283.db2.gz IYQROLSWFMWTJL-HIFRSBDPSA-N 1 0 398.320 2.273 20 0 GEADRO CC(C)Oc1cc(Br)ccc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647776098 651758643 /nfs/dbraw/zinc/75/86/43/651758643.db2.gz PDPJRMKVWTWAOJ-UHFFFAOYSA-N 1 0 384.318 2.214 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2csc(Br)c2)C1 ZINC000612552169 651761609 /nfs/dbraw/zinc/76/16/09/651761609.db2.gz SZUYHNFVRIBGDQ-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CCO1 ZINC000647865846 651763778 /nfs/dbraw/zinc/76/37/78/651763778.db2.gz VAYAHPCOLODIJT-LRDDRELGSA-N 1 0 377.286 2.454 20 0 GEADRO COCC1([NH2+]CC(=O)Nc2ccc(Br)cc2F)CCOCC1 ZINC000647952039 651766992 /nfs/dbraw/zinc/76/69/92/651766992.db2.gz JOMCBTVKQAVTRA-UHFFFAOYSA-N 1 0 375.238 2.312 20 0 GEADRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000647957215 651767052 /nfs/dbraw/zinc/76/70/52/651767052.db2.gz FASAPONDQVIFFP-AWEZNQCLSA-N 1 0 390.391 2.329 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000570441938 651767610 /nfs/dbraw/zinc/76/76/10/651767610.db2.gz FBMXCZRFNNTBQY-JTQLQIEISA-N 1 0 397.191 2.456 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)COc1ccc(Br)cc1 ZINC000570451269 651768278 /nfs/dbraw/zinc/76/82/78/651768278.db2.gz JXEKZJBLYOMQTR-YUTCNCBUSA-N 1 0 380.229 2.327 20 0 GEADRO Cc1ccc(C[C@@H](CO)C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1Br ZINC000648041188 651771125 /nfs/dbraw/zinc/77/11/25/651771125.db2.gz KMBLMAWYNZPRRG-HZPDHXFCSA-N 1 0 393.329 2.437 20 0 GEADRO C[NH+]1CCC2(CC1)CN(Cc1cn3ccc(Br)cc3n1)CCO2 ZINC000648072084 651773218 /nfs/dbraw/zinc/77/32/18/651773218.db2.gz KPUPKYQMWUVXQY-UHFFFAOYSA-N 1 0 379.302 2.393 20 0 GEADRO CN(CCC[NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000570543368 651773794 /nfs/dbraw/zinc/77/37/94/651773794.db2.gz WILNUPCRQOSZFM-UHFFFAOYSA-N 1 0 388.921 2.327 20 0 GEADRO C[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000612873283 651774480 /nfs/dbraw/zinc/77/44/80/651774480.db2.gz RNSHALXJBCNFIP-HWPZZCPQSA-N 1 0 384.274 2.333 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)C[C@@H]21 ZINC000648109074 651774571 /nfs/dbraw/zinc/77/45/71/651774571.db2.gz SUASPZPTMPOSCS-LEWSCRJBSA-N 1 0 390.281 2.490 20 0 GEADRO C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000612873285 651774616 /nfs/dbraw/zinc/77/46/16/651774616.db2.gz RNSHALXJBCNFIP-QFYYESIMSA-N 1 0 384.274 2.333 20 0 GEADRO CCn1c(CNC(=O)N[C@]2(C)CC[NH2+]C2)nc2cc(Br)ccc21 ZINC000612905640 651775479 /nfs/dbraw/zinc/77/54/79/651775479.db2.gz WUTPHKXEDMGENC-MRXNPFEDSA-N 1 0 380.290 2.370 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000648188287 651775832 /nfs/dbraw/zinc/77/58/32/651775832.db2.gz BVVXIZUDNQCBBX-YWPYICTPSA-N 1 0 384.318 2.446 20 0 GEADRO [NH3+]CCC1CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000570577043 651776083 /nfs/dbraw/zinc/77/60/83/651776083.db2.gz VJIUAJLPRGSXBW-INIZCTEOSA-N 1 0 394.313 2.140 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@@H]1C ZINC000612952923 651776286 /nfs/dbraw/zinc/77/62/86/651776286.db2.gz GNEJAIIGLPRYPU-MAZHCROVSA-N 1 0 382.302 2.474 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000570667674 651782209 /nfs/dbraw/zinc/78/22/09/651782209.db2.gz SCUQCIVBPYMUMJ-CMPLNLGQSA-N 1 0 391.693 2.365 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000570721789 651786611 /nfs/dbraw/zinc/78/66/11/651786611.db2.gz HDMJEQFOJYONBR-CYBMUJFWSA-N 1 0 383.286 2.363 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000570733811 651787153 /nfs/dbraw/zinc/78/71/53/651787153.db2.gz YRXYOXGSIWYCLT-KGLIPLIRSA-N 1 0 385.555 2.073 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000570733814 651787682 /nfs/dbraw/zinc/78/76/82/651787682.db2.gz YRXYOXGSIWYCLT-ZIAGYGMSSA-N 1 0 385.555 2.073 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000570801241 651792375 /nfs/dbraw/zinc/79/23/75/651792375.db2.gz GNGZXLNFWQOIDB-NSHDSACASA-N 1 0 375.224 2.278 20 0 GEADRO Cc1nn2c(nc(C)c2C[NH2+]CCn2cc(Br)ccc2=O)s1 ZINC000648634509 651792723 /nfs/dbraw/zinc/79/27/23/651792723.db2.gz BJCVYSCOCBCIRE-UHFFFAOYSA-N 1 0 382.287 2.122 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570908993 651799368 /nfs/dbraw/zinc/79/93/68/651799368.db2.gz YQXNOJYCAILCDB-UHFFFAOYSA-N 1 0 392.253 2.285 20 0 GEADRO C[C@H](CC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)n1cc(Br)cn1 ZINC000648753764 651799453 /nfs/dbraw/zinc/79/94/53/651799453.db2.gz IBIRNIZHAZSMJK-ZBFHGGJFSA-N 1 0 399.333 2.310 20 0 GEADRO C[N@H+](C[C@@H](O)CNCc1cc(Cl)cc(I)c1)C1CC1 ZINC000570921268 651800145 /nfs/dbraw/zinc/80/01/45/651800145.db2.gz UJUMTAZXHSIRRP-AWEZNQCLSA-N 1 0 394.684 2.489 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000570928258 651800609 /nfs/dbraw/zinc/80/06/09/651800609.db2.gz YFMAHNKIWVERKD-LBPRGKRZSA-N 1 0 399.257 2.123 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000570942050 651801749 /nfs/dbraw/zinc/80/17/49/651801749.db2.gz MZMFSGSSZAFTKG-DOMZBBRYSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@@H]1COCC[N@@H+]1C1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000571025826 651806457 /nfs/dbraw/zinc/80/64/57/651806457.db2.gz ZLTUEKLEWJTMLA-CXAGYDPISA-N 1 0 396.329 2.161 20 0 GEADRO C[C@H]1COCC[N@@H+]1C1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000571025829 651806546 /nfs/dbraw/zinc/80/65/46/651806546.db2.gz ZLTUEKLEWJTMLA-SUMWQHHRSA-N 1 0 396.329 2.161 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)NCCC[C@@H]1CCC[NH2+]1 ZINC000571039294 651807425 /nfs/dbraw/zinc/80/74/25/651807425.db2.gz WNGZYOPDEZRDJT-HNNXBMFYSA-N 1 0 382.302 2.217 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(Br)cnc1OCC1CC1)C2 ZINC000614034518 651810431 /nfs/dbraw/zinc/81/04/31/651810431.db2.gz KZLJRZYHCBLSTF-UHFFFAOYSA-N 1 0 380.286 2.411 20 0 GEADRO COc1ccc(CCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000614069985 651811445 /nfs/dbraw/zinc/81/14/45/651811445.db2.gz GZUJUVRIHONCPI-SFHVURJKSA-N 1 0 399.329 2.305 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000614070421 651811769 /nfs/dbraw/zinc/81/17/69/651811769.db2.gz KRXYTYOVNBRLPB-LZLYRXPVSA-N 1 0 381.314 2.468 20 0 GEADRO O=S(=O)(CC[NH2+]CCc1ccc(F)cc1Cl)NC[C@H]1CCCCO1 ZINC000571131508 651812586 /nfs/dbraw/zinc/81/25/86/651812586.db2.gz BDFJRWNVPHNOOV-OAHLLOKOSA-N 1 0 378.897 2.100 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(c2ccccc2Br)CC1 ZINC000649071287 651813891 /nfs/dbraw/zinc/81/38/91/651813891.db2.gz GZNRRSYUYKLIQJ-ZDUSSCGKSA-N 1 0 394.313 2.059 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649072987 651814370 /nfs/dbraw/zinc/81/43/70/651814370.db2.gz MPJZPXSJYRZTPS-KBPBESRZSA-N 1 0 396.329 2.206 20 0 GEADRO CC(C)n1cc(Br)cc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649074409 651814900 /nfs/dbraw/zinc/81/49/00/651814900.db2.gz IJAFHWTZGAKXQI-GFCCVEGCSA-N 1 0 385.306 2.024 20 0 GEADRO Cc1cc(CCC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)ccc1Br ZINC000649075002 651815065 /nfs/dbraw/zinc/81/50/65/651815065.db2.gz UJWRJZBDVJZMQC-CQSZACIVSA-N 1 0 396.329 2.269 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)Cc1cc(F)ccc1Br)CCO2 ZINC000649131729 651816967 /nfs/dbraw/zinc/81/69/67/651816967.db2.gz YRLGSYQWJTUMPD-UHFFFAOYSA-N 1 0 385.277 2.454 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)Cc1ccc(Br)cc1O)CCO2 ZINC000649130735 651817061 /nfs/dbraw/zinc/81/70/61/651817061.db2.gz ULNHEWLTQRBXLL-UHFFFAOYSA-N 1 0 383.286 2.020 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1Cl ZINC000571226305 651819058 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C[NH+]1CCN(c2ccncc2NS(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000571479920 651834843 /nfs/dbraw/zinc/83/48/43/651834843.db2.gz ZRJKNMNJUIGGLE-UHFFFAOYSA-N 1 0 380.901 2.429 20 0 GEADRO C[NH+](C)C[C@H](CO)NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000614854795 651841274 /nfs/dbraw/zinc/84/12/74/651841274.db2.gz SKRUHQKGVLJDGM-GFCCVEGCSA-N 1 0 396.285 2.075 20 0 GEADRO CSCC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000737233148 651844211 /nfs/dbraw/zinc/84/42/11/651844211.db2.gz KFLNCQZTRCTMMU-AWEZNQCLSA-N 1 0 381.567 2.432 20 0 GEADRO C[NH+](C)C1CCC(NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000571751442 651851430 /nfs/dbraw/zinc/85/14/30/651851430.db2.gz SWMGAFFGAUIQCQ-UHFFFAOYSA-N 1 0 385.917 2.376 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000571760181 651851916 /nfs/dbraw/zinc/85/19/16/651851916.db2.gz LLIWSVUGYNEYTE-YNEHKIRRSA-N 1 0 382.291 2.414 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000571763580 651852520 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20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)CCCc3cccc(Br)c3)C2)CC1 ZINC000615272763 651859342 /nfs/dbraw/zinc/85/93/42/651859342.db2.gz KPEKUGXRJARKQI-UHFFFAOYSA-N 1 0 394.357 2.478 20 0 GEADRO O[C@H](C[NH2+]CCCO[C@@H]1CCOC1)COc1cc(F)cc(Br)c1 ZINC000571875676 651859421 /nfs/dbraw/zinc/85/94/21/651859421.db2.gz VLBOQYIVNZWIRU-HUUCEWRRSA-N 1 0 392.265 2.113 20 0 GEADRO Cc1ccc(Br)c(C)c1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000615278735 651859952 /nfs/dbraw/zinc/85/99/52/651859952.db2.gz JPYARUOVEITGAH-UHFFFAOYSA-N 1 0 380.330 2.385 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)C2)CC1 ZINC000615280013 651860600 /nfs/dbraw/zinc/86/06/00/651860600.db2.gz ZKXFEEPGNOOCNL-ZWKOTPCHSA-N 1 0 392.341 2.258 20 0 GEADRO C[N@H+](C[C@H](O)CNCc1ccc(Cl)cc1I)C1CC1 ZINC000571993258 651865518 /nfs/dbraw/zinc/86/55/18/651865518.db2.gz AMOZLHHCRGXLBP-CYBMUJFWSA-N 1 0 394.684 2.489 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)COc1ccc(Br)cc1 ZINC000571994348 651866156 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CS(=O)(=O)N1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000651184115 651874654 /nfs/dbraw/zinc/87/46/54/651874654.db2.gz WPXNANPEQCFIMF-ROUUACIJSA-N 1 0 386.945 2.444 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)sc1C(F)(F)F ZINC000572181016 651877916 /nfs/dbraw/zinc/87/79/16/651877916.db2.gz BMJHMJHTJWNTGU-SNVBAGLBSA-N 1 0 378.420 2.209 20 0 GEADRO C[NH+](C)C1(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CCC1 ZINC000572216080 651879305 /nfs/dbraw/zinc/87/93/05/651879305.db2.gz DORXKTRFSVCTKC-UHFFFAOYSA-N 1 0 383.286 2.363 20 0 GEADRO C[NH+](C)CC1CCN(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000738077451 651879533 /nfs/dbraw/zinc/87/95/33/651879533.db2.gz UZBNIVLURLGIHW-QGZVFWFLSA-N 1 0 384.933 2.400 20 0 GEADRO O=C(CCCOc1cccc(Br)c1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000572324079 651885194 /nfs/dbraw/zinc/88/51/94/651885194.db2.gz HEYWNXMFBVGSBA-GOSISDBHSA-N 1 0 397.313 2.181 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000572363652 651887722 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O=S1(=O)CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000572512912 651897045 /nfs/dbraw/zinc/89/70/45/651897045.db2.gz QYDSFPMNMXDILD-UKRRQHHQSA-N 1 0 381.416 2.002 20 0 GEADRO COC[C@H](OC)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000616422964 651899512 /nfs/dbraw/zinc/89/95/12/651899512.db2.gz VMXOITWEUOWLFP-HNNXBMFYSA-N 1 0 388.306 2.047 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000572577261 651900797 /nfs/dbraw/zinc/90/07/97/651900797.db2.gz FLDGDYLMHKJXIU-HKUYNNGSSA-N 1 0 393.325 2.226 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(Cl)cccc1Br ZINC000616479876 651902412 /nfs/dbraw/zinc/90/24/12/651902412.db2.gz QPUWQLVCCXZXDQ-SNVBAGLBSA-N 1 0 388.693 2.295 20 0 GEADRO O=C1c2ccc(Br)cc2N(CN2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000739877621 651909028 /nfs/dbraw/zinc/90/90/28/651909028.db2.gz YCYYAXLDHFXHLS-CYBMUJFWSA-N 1 0 392.297 2.354 20 0 GEADRO C[N@H+](CC(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000616814551 651910137 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COc1ccc(Cl)c(N2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)c1 ZINC000652529771 651917858 /nfs/dbraw/zinc/91/78/58/651917858.db2.gz VMPGCGUDORYFRC-AWEZNQCLSA-N 1 0 383.945 2.435 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000652642844 651921332 /nfs/dbraw/zinc/92/13/32/651921332.db2.gz MLMVRHYBXGPCLJ-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)Cc1ccc(Br)o1 ZINC000652718508 651921944 /nfs/dbraw/zinc/92/19/44/651921944.db2.gz FXHDORRXONZPIY-UHFFFAOYSA-N 1 0 394.269 2.036 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000572980876 651927622 /nfs/dbraw/zinc/92/76/22/651927622.db2.gz TYENBSFPSZQQMY-ZDUSSCGKSA-N 1 0 396.329 2.180 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000652987112 651930356 /nfs/dbraw/zinc/93/03/56/651930356.db2.gz WDQHEMGYFPOKAP-UHFFFAOYSA-N 1 0 382.302 2.123 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000652988630 651930509 /nfs/dbraw/zinc/93/05/09/651930509.db2.gz BUQHZCMFQQSWFK-UHFFFAOYSA-N 1 0 386.290 2.058 20 0 GEADRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000573043823 651931341 /nfs/dbraw/zinc/93/13/41/651931341.db2.gz UQOBJYWOZXSEIR-YVEFUNNKSA-N 1 0 387.311 2.194 20 0 GEADRO CN1CCN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000573074323 651932847 /nfs/dbraw/zinc/93/28/47/651932847.db2.gz RSEIKDHDNZIAOW-LLVKDONJSA-N 1 0 395.718 2.310 20 0 GEADRO Cc1ccc(OC[C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000573084482 651933847 /nfs/dbraw/zinc/93/38/47/651933847.db2.gz XPUHHEHPKHORRM-MRXNPFEDSA-N 1 0 383.897 2.452 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3[nH]nc(C4CC4)c3Br)C2)C1 ZINC000653186417 651935720 /nfs/dbraw/zinc/93/57/20/651935720.db2.gz LCBQTJNCIFREEU-YNEHKIRRSA-N 1 0 397.317 2.408 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000653269867 651938102 /nfs/dbraw/zinc/93/81/02/651938102.db2.gz WYQIJGXVURNHIJ-AWEZNQCLSA-N 1 0 394.313 2.308 20 0 GEADRO 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Cc1c(Br)cncc1C[NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000657383960 652162984 /nfs/dbraw/zinc/16/29/84/652162984.db2.gz PLUBARJHQIQABJ-BONVTDFDSA-N 1 0 378.274 2.170 20 0 GEADRO Nc1c(Cl)ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1Cl ZINC000577014524 652163220 /nfs/dbraw/zinc/16/32/20/652163220.db2.gz HDVYUGLGTAMCSK-UHFFFAOYSA-N 1 0 387.311 2.298 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cnn2c1CCC2)c1cccc(Cl)c1Cl ZINC000657465378 652165600 /nfs/dbraw/zinc/16/56/00/652165600.db2.gz ZYWGRPQBDFVRAW-UHFFFAOYSA-N 1 0 389.308 2.204 20 0 GEADRO O=C(CC[C@H]1CCC[NH2+]C1)NCCNC(=O)c1ccc(Br)cc1 ZINC000621627940 652165922 /nfs/dbraw/zinc/16/59/22/652165922.db2.gz RKGFHUSZIHMUJW-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000657498168 652167018 /nfs/dbraw/zinc/16/70/18/652167018.db2.gz ORRFDTKARKTABH-ZDUSSCGKSA-N 1 0 397.294 2.477 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000657504668 652167507 /nfs/dbraw/zinc/16/75/07/652167507.db2.gz JWXINRIDPPSCOM-UHFFFAOYSA-N 1 0 379.258 2.004 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657515807 652168309 /nfs/dbraw/zinc/16/83/09/652168309.db2.gz VVZRHFMXULSUDZ-UHFFFAOYSA-N 1 0 390.228 2.268 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc2c(cc1Br)OCO2 ZINC000621933804 652170714 /nfs/dbraw/zinc/17/07/14/652170714.db2.gz VSIZVGYEAJLJCV-LBPRGKRZSA-N 1 0 399.285 2.145 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c(Cl)cc1Br ZINC000657530222 652170683 /nfs/dbraw/zinc/17/06/83/652170683.db2.gz AGQZJYDNWDLTOF-QMMMGPOBSA-N 1 0 392.681 2.116 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=S)NCc2ccc(Br)cc2)CC1 ZINC000747645679 652172251 /nfs/dbraw/zinc/17/22/51/652172251.db2.gz HBXFZHSDMDEJCX-CQSZACIVSA-N 1 0 399.402 2.439 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC1CC([NH+](C)C)C1 ZINC000577232162 652172461 /nfs/dbraw/zinc/17/24/61/652172461.db2.gz WMSYZSCQNKGFGG-VCANKDNSSA-N 1 0 384.318 2.145 20 0 GEADRO CSc1ccc(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)cc1Cl ZINC000577243018 652173126 /nfs/dbraw/zinc/17/31/26/652173126.db2.gz JHRYIYCZRDDOKC-UHFFFAOYSA-N 1 0 379.979 2.224 20 0 GEADRO C[NH+](C)[C@H](CNC(=S)NCCCN1CCOCC1)c1ccc(Cl)cc1 ZINC000747657839 652173325 /nfs/dbraw/zinc/17/33/25/652173325.db2.gz AFWNGKDMKKESBN-QGZVFWFLSA-N 1 0 384.977 2.129 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622013748 652174451 /nfs/dbraw/zinc/17/44/51/652174451.db2.gz UZNWYLVVGOXQFP-ABAIWWIYSA-N 1 0 389.315 2.350 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC[C@H]1CC1(F)F ZINC000622016275 652175745 /nfs/dbraw/zinc/17/57/45/652175745.db2.gz CFKLVHOJKBLOMO-ZDUSSCGKSA-N 1 0 395.493 2.279 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622026799 652177004 /nfs/dbraw/zinc/17/70/04/652177004.db2.gz RQXQRXNZDUNLFZ-KSSFIOAISA-N 1 0 394.313 2.137 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028679 652177434 /nfs/dbraw/zinc/17/74/34/652177434.db2.gz UQDSXCDBZFEQAE-RDTXWAMCSA-N 1 0 394.313 2.056 20 0 GEADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000747843216 652181326 /nfs/dbraw/zinc/18/13/26/652181326.db2.gz NVPWUBVSYOJZSX-JBEBIEQOSA-N 1 0 380.535 2.307 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@H]1C)c1ccc(Br)cc1 ZINC000577356234 652181391 /nfs/dbraw/zinc/18/13/91/652181391.db2.gz HHUHKVMIPMYEHU-XFBWCDHKSA-N 1 0 382.302 2.355 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000657656025 652186653 /nfs/dbraw/zinc/18/66/53/652186653.db2.gz GSSOQHPVLIIEMX-JTQLQIEISA-N 1 0 388.693 2.417 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000657706929 652194352 /nfs/dbraw/zinc/19/43/52/652194352.db2.gz FWJPJNJWVLCXQZ-IUIKQTSFSA-N 1 0 397.313 2.356 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@]12CCC(=O)N1CCS2 ZINC000622576349 652196659 /nfs/dbraw/zinc/19/66/59/652196659.db2.gz BPUREWZILPQQSU-KDOFPFPSSA-N 1 0 379.551 2.142 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000577590088 652199467 /nfs/dbraw/zinc/19/94/67/652199467.db2.gz CRBLKPNQWXCBIR-QMMMGPOBSA-N 1 0 392.656 2.377 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000577609906 652201481 /nfs/dbraw/zinc/20/14/81/652201481.db2.gz SCTVTRSQGPGUNB-SNVBAGLBSA-N 1 0 377.894 2.103 20 0 GEADRO CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000748435912 652202828 /nfs/dbraw/zinc/20/28/28/652202828.db2.gz VVILWTFWABIWGK-CXAGYDPISA-N 1 0 391.603 2.186 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000657776827 652204706 /nfs/dbraw/zinc/20/47/06/652204706.db2.gz YIIZTFBUYQBYRV-UHFFFAOYSA-N 1 0 388.212 2.044 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000657778816 652204942 /nfs/dbraw/zinc/20/49/42/652204942.db2.gz VTAIRBQGGIGCML-FZMZJTMJSA-N 1 0 398.276 2.388 20 0 GEADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000577713665 652209665 /nfs/dbraw/zinc/20/96/65/652209665.db2.gz VUZBGRVFAVGKKZ-GUTXKFCHSA-N 1 0 379.913 2.346 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657834854 652209633 /nfs/dbraw/zinc/20/96/33/652209633.db2.gz CFHSIPBZINWLPU-UHFFFAOYSA-N 1 0 378.217 2.170 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1-n1cnnn1)C(C)(C)C[NH+](C)C ZINC000623019562 652215832 /nfs/dbraw/zinc/21/58/32/652215832.db2.gz YVHJHHRDEAONPG-LLVKDONJSA-N 1 0 395.305 2.131 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C(F)F)nc1 ZINC000657916094 652216653 /nfs/dbraw/zinc/21/66/53/652216653.db2.gz SQFCFAITFWAMTL-GXTWGEPZSA-N 1 0 377.457 2.158 20 0 GEADRO C[C@H]1CC2(CN1C(=O)c1nc3ccc(Br)cn3n1)CC[NH2+]CC2 ZINC000623072894 652222566 /nfs/dbraw/zinc/22/25/66/652222566.db2.gz TUWWELRSLQBNFV-NSHDSACASA-N 1 0 378.274 2.096 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000577852084 652222827 /nfs/dbraw/zinc/22/28/27/652222827.db2.gz VYIPVJGERHTUOJ-OLZOCXBDSA-N 1 0 381.523 2.082 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000577865057 652224181 /nfs/dbraw/zinc/22/41/81/652224181.db2.gz DVXVRIOZENSNCJ-DOMZBBRYSA-N 1 0 392.301 2.154 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000577872589 652225109 /nfs/dbraw/zinc/22/51/09/652225109.db2.gz SCCKURUIWBSXJI-DTWKUNHWSA-N 1 0 377.304 2.017 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc2)C1 ZINC000577910722 652228379 /nfs/dbraw/zinc/22/83/79/652228379.db2.gz SNAZOIJDLMIIGU-DOMZBBRYSA-N 1 0 380.432 2.120 20 0 GEADRO CC(C)[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 ZINC000658026173 652232344 /nfs/dbraw/zinc/23/23/44/652232344.db2.gz BGOYLNBZPKONOL-GJZGRUSLSA-N 1 0 394.306 2.425 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000658026481 652233169 /nfs/dbraw/zinc/23/31/69/652233169.db2.gz FGYWZGLSGDJEEA-SMDDNHRTSA-N 1 0 398.276 2.388 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@@]1([NH+](C)C)CCSC1 ZINC000749097466 652234046 /nfs/dbraw/zinc/23/40/46/652234046.db2.gz KQFPKMHTPWHRAK-HNNXBMFYSA-N 1 0 392.978 2.086 20 0 GEADRO Cc1ncc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c(C)n1 ZINC000658092349 652235555 /nfs/dbraw/zinc/23/55/55/652235555.db2.gz MSHNPOJSIUNZHR-JTQLQIEISA-N 1 0 378.274 2.332 20 0 GEADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000658117065 652237029 /nfs/dbraw/zinc/23/70/29/652237029.db2.gz YFZUBOFTOLGIJZ-OCVGTWLNSA-N 1 0 387.318 2.155 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658148695 652239057 /nfs/dbraw/zinc/23/90/57/652239057.db2.gz OLCVBAZJDTXPNO-BLLLJJGKSA-N 1 0 376.266 2.277 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000578047976 652239350 /nfs/dbraw/zinc/23/93/50/652239350.db2.gz ITPUFYSIVNFYOA-UHFFFAOYSA-N 1 0 379.258 2.052 20 0 GEADRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccc(I)c(C)c1 ZINC000578064603 652240041 /nfs/dbraw/zinc/24/00/41/652240041.db2.gz MPWMTSGPDVTWNR-CYBMUJFWSA-N 1 0 391.249 2.393 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000623523645 652244668 /nfs/dbraw/zinc/24/46/68/652244668.db2.gz HSJZFZBWPXFLRZ-CGTJXYLNSA-N 1 0 392.341 2.089 20 0 GEADRO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)ncc1Br ZINC000623523468 652244975 /nfs/dbraw/zinc/24/49/75/652244975.db2.gz YQCOUHHOTOYVAZ-VHRNVKJDSA-N 1 0 395.345 2.326 20 0 GEADRO CCC[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)OCC ZINC000623600040 652249735 /nfs/dbraw/zinc/24/97/35/652249735.db2.gz YLVURUSCZQEGHQ-LBPRGKRZSA-N 1 0 379.320 2.391 20 0 GEADRO CN1CCN(C(=O)NCC2(c3cccc(Br)c3)CCC2)[C@H](C[NH3+])C1 ZINC000578172316 652250740 /nfs/dbraw/zinc/25/07/40/652250740.db2.gz SOJDZFZRMSZCEN-MRXNPFEDSA-N 1 0 395.345 2.155 20 0 GEADRO Fc1ccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1Br ZINC000623654254 652252595 /nfs/dbraw/zinc/25/25/95/652252595.db2.gz ZSZSMNDAACYGFC-GFCCVEGCSA-N 1 0 391.248 2.394 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000658362455 652256407 /nfs/dbraw/zinc/25/64/07/652256407.db2.gz RKZFETBWWPVOPA-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000658363056 652257464 /nfs/dbraw/zinc/25/74/64/652257464.db2.gz YYCOEUFKZZPTNN-SECBINFHSA-N 1 0 390.228 2.218 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000749535768 652257742 /nfs/dbraw/zinc/25/77/42/652257742.db2.gz UPSYKRIEPNTCDS-KBAYOESNSA-N 1 0 386.945 2.297 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000658368670 652257971 /nfs/dbraw/zinc/25/79/71/652257971.db2.gz LVAZWLYTVDZEET-QWRGUYRKSA-N 1 0 379.295 2.477 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2OC)CC[C@H]1[NH3+] ZINC000658375554 652259540 /nfs/dbraw/zinc/25/95/40/652259540.db2.gz IZPYNSJGIYRZRN-JOYOIKCWSA-N 1 0 395.294 2.345 20 0 GEADRO Brc1cncc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623782548 652260486 /nfs/dbraw/zinc/26/04/86/652260486.db2.gz VZPGHLDRSQLOMG-QGZVFWFLSA-N 1 0 377.286 2.230 20 0 GEADRO [NH3+]CC[C@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1)C(F)F ZINC000658381372 652261329 /nfs/dbraw/zinc/26/13/29/652261329.db2.gz KOZKARYEDKATEP-VIFPVBQESA-N 1 0 377.638 2.363 20 0 GEADRO C[C@@H](C[C@H]1COCC[NH2+]1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000578313937 652261179 /nfs/dbraw/zinc/26/11/79/652261179.db2.gz CBSKOESWNGJFMK-FZMZJTMJSA-N 1 0 380.290 2.091 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000658380329 652261434 /nfs/dbraw/zinc/26/14/34/652261434.db2.gz ODDDMUZUNLBLJQ-IINYFYTJSA-N 1 0 377.279 2.102 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)nn1 ZINC000578308645 652261488 /nfs/dbraw/zinc/26/14/88/652261488.db2.gz ILGWJOJLWSBAOY-VIFPVBQESA-N 1 0 396.325 2.131 20 0 GEADRO O=S(=O)(c1ccc(Br)cn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387442 652263630 /nfs/dbraw/zinc/26/36/30/652263630.db2.gz RLLRMTSLBAGASN-ZDUSSCGKSA-N 1 0 388.331 2.244 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000623836626 652264205 /nfs/dbraw/zinc/26/42/05/652264205.db2.gz CMGUVWFTZGHJCO-INIZCTEOSA-N 1 0 387.318 2.021 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(Br)cn1 ZINC000658391209 652264349 /nfs/dbraw/zinc/26/43/49/652264349.db2.gz UDDVOWQKIRFXMD-HUUCEWRRSA-N 1 0 396.310 2.268 20 0 GEADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)s1 ZINC000658390503 652264635 /nfs/dbraw/zinc/26/46/35/652264635.db2.gz SHUJEDQBUKZAJZ-UHFFFAOYSA-N 1 0 387.571 2.003 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000623873390 652265559 /nfs/dbraw/zinc/26/55/59/652265559.db2.gz HEHJSZILAVDYRI-LLVKDONJSA-N 1 0 383.290 2.302 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000623873391 652265733 /nfs/dbraw/zinc/26/57/33/652265733.db2.gz HEHJSZILAVDYRI-NSHDSACASA-N 1 0 383.290 2.302 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)N1CCSCC1 ZINC000623890843 652266436 /nfs/dbraw/zinc/26/64/36/652266436.db2.gz YOQSVOPTKSZCSE-HNNXBMFYSA-N 1 0 378.922 2.435 20 0 GEADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1cc(Br)cc(C(F)(F)F)c1 ZINC000658403379 652266623 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CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000578432355 652271841 /nfs/dbraw/zinc/27/18/41/652271841.db2.gz HGXRELWKLHOVLS-ZDUSSCGKSA-N 1 0 394.313 2.185 20 0 GEADRO Cc1nnc([C@H]2CCCN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)C2)[nH]1 ZINC000578440982 652273353 /nfs/dbraw/zinc/27/33/53/652273353.db2.gz WYFJRAITQFNGAT-SJCJKPOMSA-N 1 0 392.301 2.456 20 0 GEADRO CCN(C(=O)C(=O)N1CCc2ccc(Br)cc21)[C@H]1CC[N@H+](CC)C1 ZINC000658467558 652277014 /nfs/dbraw/zinc/27/70/14/652277014.db2.gz PCRJASLDCNPFGU-HNNXBMFYSA-N 1 0 394.313 2.281 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(OC)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658467157 652277123 /nfs/dbraw/zinc/27/71/23/652277123.db2.gz BSOYXJQSEPNJCH-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658485334 652279705 /nfs/dbraw/zinc/27/97/05/652279705.db2.gz HMKKSWVNJVYJAN-UHFFFAOYSA-N 1 0 396.329 2.208 20 0 GEADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624283583 652279756 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2.282 20 0 GEADRO CC(C)[NH2+]CC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000659284083 652352925 /nfs/dbraw/zinc/35/29/25/652352925.db2.gz FSARDTIMGGQZFF-UHFFFAOYSA-N 1 0 391.331 2.116 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(CO)o2)cc1Br ZINC000579795332 652354647 /nfs/dbraw/zinc/35/46/47/652354647.db2.gz AOVGEIIUOUWSMO-ZDUSSCGKSA-N 1 0 384.270 2.484 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[NH+]1CCCC1 ZINC000579799406 652355036 /nfs/dbraw/zinc/35/50/36/652355036.db2.gz UXCPXFBRUPXWEV-SECBINFHSA-N 1 0 390.228 2.266 20 0 GEADRO [NH3+]CCn1cc(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000659386849 652355943 /nfs/dbraw/zinc/35/59/43/652355943.db2.gz RXFMMXVRSIAFBV-CQSZACIVSA-N 1 0 378.274 2.197 20 0 GEADRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000579838278 652357153 /nfs/dbraw/zinc/35/71/53/652357153.db2.gz PBGYDBFWGISZLM-KRWDZBQOSA-N 1 0 392.341 2.483 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000659449814 652358192 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O=C(NCC12CC(C1)C[NH2+]2)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000659614296 652361292 /nfs/dbraw/zinc/36/12/92/652361292.db2.gz CDBUTABLIKPZFB-MEXZMNCTSA-N 1 0 377.794 2.443 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000659616845 652361377 /nfs/dbraw/zinc/36/13/77/652361377.db2.gz LDQVEAFOZVFLOI-YAJUMTOWSA-N 1 0 380.286 2.284 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000659623276 652361638 /nfs/dbraw/zinc/36/16/38/652361638.db2.gz CVWJIDYEDAEMRS-OAHLLOKOSA-N 1 0 390.297 2.466 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000659633122 652362029 /nfs/dbraw/zinc/36/20/29/652362029.db2.gz BEGQOBYQIHPZAO-NSHDSACASA-N 1 0 375.300 2.249 20 0 GEADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CCn1cc(Br)ccc1=O ZINC000579991135 652362535 /nfs/dbraw/zinc/36/25/35/652362535.db2.gz RIBKYMRJJZGSJO-HNNXBMFYSA-N 1 0 384.318 2.334 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659680430 652363128 /nfs/dbraw/zinc/36/31/28/652363128.db2.gz GAFGPFKUUBJRSD-LBPRGKRZSA-N 1 0 384.318 2.082 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659692320 652363474 /nfs/dbraw/zinc/36/34/74/652363474.db2.gz QDTGKIFJLGAUKD-OAHLLOKOSA-N 1 0 384.318 2.172 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000659698666 652363787 /nfs/dbraw/zinc/36/37/87/652363787.db2.gz HJDIIGNUQSBTTM-UHFFFAOYSA-N 1 0 384.318 2.039 20 0 GEADRO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)C(=O)NC1CC[NH2+]CC1 ZINC000659710132 652363882 /nfs/dbraw/zinc/36/38/82/652363882.db2.gz PURRKYWZGWFWOX-UHFFFAOYSA-N 1 0 377.329 2.024 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000659712088 652364087 /nfs/dbraw/zinc/36/40/87/652364087.db2.gz CSYOJRYDUNMDIB-DGCLKSJQSA-N 1 0 384.307 2.382 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)C2 ZINC000659718737 652364134 /nfs/dbraw/zinc/36/41/34/652364134.db2.gz CACRBPLPOVUTAA-OAHLLOKOSA-N 1 0 394.313 2.233 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000659754094 652364842 /nfs/dbraw/zinc/36/48/42/652364842.db2.gz SGUOIGWLJOXCHW-CYBMUJFWSA-N 1 0 384.318 2.158 20 0 GEADRO CC[NH+]1C[C@H](C)N(C(=O)CN(C)C(=O)c2ccc(Br)o2)[C@@H](C)C1 ZINC000580122345 652367584 /nfs/dbraw/zinc/36/75/84/652367584.db2.gz WOMPPVSTBGQSMU-RYUDHWBXSA-N 1 0 386.290 2.055 20 0 GEADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3ccc(Br)cn3)[C@@H]2C1 ZINC000580121242 652367624 /nfs/dbraw/zinc/36/76/24/652367624.db2.gz MQXKNEXRBNYLED-CFVMTHIKSA-N 1 0 395.301 2.019 20 0 GEADRO CNS(=O)(=O)CC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625701251 652367981 /nfs/dbraw/zinc/36/79/81/652367981.db2.gz OGICEIGXLKXUKP-ZDUSSCGKSA-N 1 0 379.345 2.165 20 0 GEADRO CC[NH2+]CCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000580168807 652368643 /nfs/dbraw/zinc/36/86/43/652368643.db2.gz JQAOUZCMBWIYNQ-UHFFFAOYSA-N 1 0 390.937 2.492 20 0 GEADRO Cc1c(Br)ccnc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000580171561 652368664 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OC[C@]1([NH2+]Cc2ncnn2CCF)CCc2cc(Br)ccc2C1 ZINC000625796938 652371873 /nfs/dbraw/zinc/37/18/73/652371873.db2.gz NZWASFXIHIZRCI-INIZCTEOSA-N 1 0 383.265 2.020 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625805955 652372189 /nfs/dbraw/zinc/37/21/89/652372189.db2.gz DYNSAVIVWSLKKE-HYVNUMGLSA-N 1 0 381.314 2.419 20 0 GEADRO Cc1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1Br ZINC000625808227 652372232 /nfs/dbraw/zinc/37/22/32/652372232.db2.gz GCXBYCCTVBLVPA-UHFFFAOYSA-N 1 0 378.274 2.285 20 0 GEADRO Cc1ccc(Br)cc1C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625813120 652372311 /nfs/dbraw/zinc/37/23/11/652372311.db2.gz SGCHMIQBLNMGJM-UHFFFAOYSA-N 1 0 378.274 2.285 20 0 GEADRO CS(=O)(=O)c1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000625840758 652373158 /nfs/dbraw/zinc/37/31/58/652373158.db2.gz ZJCLYUBNSXHXGR-GHMZBOCLSA-N 1 0 379.404 2.081 20 0 GEADRO CS(=O)(=O)c1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000625840760 652373166 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CCCCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000580342790 652376952 /nfs/dbraw/zinc/37/69/52/652376952.db2.gz AMVCEMMEVJEVFF-IRXDYDNUSA-N 1 0 388.599 2.020 20 0 GEADRO C[C@]1(CO)C[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@]1(C)CO ZINC000625972061 652377459 /nfs/dbraw/zinc/37/74/59/652377459.db2.gz SHNXXGHWJRTBMJ-AFAVFJNCSA-N 1 0 378.296 2.046 20 0 GEADRO CSC1(CNC(=O)C(=O)Nc2nc(C3CCC3)cs2)CC[NH+](C)CC1 ZINC000580370410 652377929 /nfs/dbraw/zinc/37/79/29/652377929.db2.gz HYBRGCVMMFSTJR-UHFFFAOYSA-N 1 0 382.555 2.293 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000660049048 652378786 /nfs/dbraw/zinc/37/87/86/652378786.db2.gz MCDBNYZNBVIBBQ-GFCCVEGCSA-N 1 0 380.286 2.236 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000580414318 652379645 /nfs/dbraw/zinc/37/96/45/652379645.db2.gz NINRYBSECUMQDE-GFCCVEGCSA-N 1 0 390.281 2.075 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000580428080 652380428 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CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626831738 652404884 /nfs/dbraw/zinc/40/48/84/652404884.db2.gz KMFZOKWVQIPOHB-CYBMUJFWSA-N 1 0 394.313 2.317 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000626831567 652404903 /nfs/dbraw/zinc/40/49/03/652404903.db2.gz GNGHCZDMSMYUAK-JOYOIKCWSA-N 1 0 386.315 2.305 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1Br ZINC000626834003 652405246 /nfs/dbraw/zinc/40/52/46/652405246.db2.gz GCECGVKKCNRQFQ-NXEZZACHSA-N 1 0 386.315 2.318 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626851705 652406146 /nfs/dbraw/zinc/40/61/46/652406146.db2.gz VMJSQTJKQDKYMF-LLVKDONJSA-N 1 0 388.212 2.067 20 0 GEADRO CC(C)c1csc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000626859477 652406425 /nfs/dbraw/zinc/40/64/25/652406425.db2.gz DCXWZWCTQBGNJV-VHSXEESVSA-N 1 0 378.420 2.191 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000660567277 652406648 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384.274 2.043 20 0 GEADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000660612475 652407798 /nfs/dbraw/zinc/40/77/98/652407798.db2.gz CGIXPGRYKOYQHF-RRFJBIMHSA-N 1 0 388.327 2.474 20 0 GEADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000660632094 652408167 /nfs/dbraw/zinc/40/81/67/652408167.db2.gz KZDHALCBUYZKLK-VNQPRFMTSA-N 1 0 388.327 2.126 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C[NH2+]1 ZINC000626893867 652408397 /nfs/dbraw/zinc/40/83/97/652408397.db2.gz RYXJKFMDSVBRGR-GWCFXTLKSA-N 1 0 391.269 2.193 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc(OC)c1OCC(F)F ZINC000581273483 652408543 /nfs/dbraw/zinc/40/85/43/652408543.db2.gz KLRPZFTZYMHKAO-LBPRGKRZSA-N 1 0 379.425 2.015 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc(OC)c1OCC(F)F ZINC000581273482 652408620 /nfs/dbraw/zinc/40/86/20/652408620.db2.gz KLRPZFTZYMHKAO-GFCCVEGCSA-N 1 0 379.425 2.015 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000581282367 652408927 /nfs/dbraw/zinc/40/89/27/652408927.db2.gz HLVAEVNZNHYZKQ-ZDUSSCGKSA-N 1 0 384.318 2.414 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626901154 652409001 /nfs/dbraw/zinc/40/90/01/652409001.db2.gz OEUJHPMSJUDBII-CALCHBBNSA-N 1 0 380.286 2.154 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1Br ZINC000626900655 652409009 /nfs/dbraw/zinc/40/90/09/652409009.db2.gz WBIMBUMOUAIZOP-CALCHBBNSA-N 1 0 380.286 2.154 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626900280 652409041 /nfs/dbraw/zinc/40/90/41/652409041.db2.gz ILNKEPUTTMNLJG-CALCHBBNSA-N 1 0 380.286 2.154 20 0 GEADRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nnnn1-c1ccccc1Br)C2 ZINC000660660124 652409008 /nfs/dbraw/zinc/40/90/08/652409008.db2.gz ULNGOWZDGNHZJZ-QGZVFWFLSA-N 1 0 391.317 2.343 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)cc2)n1 ZINC000626908723 652409528 /nfs/dbraw/zinc/40/95/28/652409528.db2.gz DSTZJVZQZUHHJN-SMDDNHRTSA-N 1 0 376.507 2.408 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000581298469 652409543 /nfs/dbraw/zinc/40/95/43/652409543.db2.gz PBJLIDKSKLVXBR-OBJOEFQTSA-N 1 0 380.286 2.200 20 0 GEADRO CN(CCOCC[NH3+])C(=O)NCCCc1ccc(Br)cc1F ZINC000626981261 652410102 /nfs/dbraw/zinc/41/01/02/652410102.db2.gz ZNEVBUKCPNPBJJ-UHFFFAOYSA-N 1 0 376.270 2.138 20 0 GEADRO COCC[N@H+](CCC(=O)OC)Cc1cnc2c(C)cc(Br)cn12 ZINC000753547364 652410174 /nfs/dbraw/zinc/41/01/74/652410174.db2.gz PFSJXGOVUKDDRC-UHFFFAOYSA-N 1 0 384.274 2.417 20 0 GEADRO Cc1c(C(=O)NC[C@H]2C[NH2+]CCCO2)cnn1-c1cccc(Br)c1 ZINC000581410199 652411755 /nfs/dbraw/zinc/41/17/55/652411755.db2.gz SBPAJVKDRGQWAB-OAHLLOKOSA-N 1 0 393.285 2.052 20 0 GEADRO CCn1c(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)nc2cc(Br)ccc21 ZINC000627019582 652412238 /nfs/dbraw/zinc/41/22/38/652412238.db2.gz IXXQZFZOYKSOQJ-CMPLNLGQSA-N 1 0 380.290 2.368 20 0 GEADRO Cc1nn2c(C[NH2+]C[C@H]3CCCCN3S(C)(=O)=O)c(C(C)C)nc2s1 ZINC000581420255 652412427 /nfs/dbraw/zinc/41/24/27/652412427.db2.gz ISMGSTNEOLZORE-CYBMUJFWSA-N 1 0 385.559 2.126 20 0 GEADRO [NH3+]C1(CNC(=O)N[C@H]2CSc3ccc(Br)cc32)CCOCC1 ZINC000627021743 652412609 /nfs/dbraw/zinc/41/26/09/652412609.db2.gz QSDMQDQNXMZAMR-LBPRGKRZSA-N 1 0 386.315 2.403 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2cn(-c3ccccc3Br)nn2)C[N@@H+]1C1CC1 ZINC000753707358 652413346 /nfs/dbraw/zinc/41/33/46/652413346.db2.gz PSQPRHSEWYFDFG-VXGBXAGGSA-N 1 0 390.285 2.385 20 0 GEADRO C[NH2+]CCOCCNC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000627119237 652414516 /nfs/dbraw/zinc/41/45/16/652414516.db2.gz KYMJTMSSJBFAOM-UHFFFAOYSA-N 1 0 380.233 2.076 20 0 GEADRO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627129791 652414730 /nfs/dbraw/zinc/41/47/30/652414730.db2.gz UQFAOKVLAUTXER-GOEBONIOSA-N 1 0 396.329 2.184 20 0 GEADRO C[C@H](NC(=O)NCCOCCC[NH3+])c1cc(F)c(Br)cc1F ZINC000627125657 652414799 /nfs/dbraw/zinc/41/47/99/652414799.db2.gz LPMOKXJFRREEDA-VIFPVBQESA-N 1 0 380.233 2.453 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000753771596 652414964 /nfs/dbraw/zinc/41/49/64/652414964.db2.gz CVOLYJVKPJWLBP-ZDUSSCGKSA-N 1 0 376.284 2.430 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000581487400 652415276 /nfs/dbraw/zinc/41/52/76/652415276.db2.gz LUFUMWGWKRCOPE-QMTHXVAHSA-N 1 0 377.268 2.500 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000627156656 652416190 /nfs/dbraw/zinc/41/61/90/652416190.db2.gz FUHZOWLVIFVDPU-CYBMUJFWSA-N 1 0 397.317 2.384 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627188306 652417667 /nfs/dbraw/zinc/41/76/67/652417667.db2.gz BGPVBXMLAPTEIL-GJZGRUSLSA-N 1 0 384.318 2.400 20 0 GEADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627188307 652417771 /nfs/dbraw/zinc/41/77/71/652417771.db2.gz BGPVBXMLAPTEIL-HUUCEWRRSA-N 1 0 384.318 2.400 20 0 GEADRO C[C@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)S(C)(=O)=O ZINC000581602516 652417946 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[NH3+]CC1(O)CCN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CC1 ZINC000662577629 652468372 /nfs/dbraw/zinc/46/83/72/652468372.db2.gz BHGBKONQEWFBRP-UHFFFAOYSA-N 1 0 380.242 2.030 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000628755796 652469971 /nfs/dbraw/zinc/46/99/71/652469971.db2.gz XZDJJNBDVPYKIA-JTQLQIEISA-N 1 0 381.274 2.493 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000662717882 652471119 /nfs/dbraw/zinc/47/11/19/652471119.db2.gz HZXRIWVKGHZJMU-IBFVRDEOSA-N 1 0 384.307 2.235 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)[C@H](C)[NH3+] ZINC000583025174 652471716 /nfs/dbraw/zinc/47/17/16/652471716.db2.gz RCFNLXSZTOWQFV-NKWVEPMBSA-N 1 0 375.210 2.482 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662724323 652471758 /nfs/dbraw/zinc/47/17/58/652471758.db2.gz PLLNDDMOLGHWDR-KVIBHRHWSA-N 1 0 394.313 2.072 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000662730320 652471860 /nfs/dbraw/zinc/47/18/60/652471860.db2.gz CLQPDMGUSUIYDC-GXTWGEPZSA-N 1 0 382.302 2.292 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662728898 652472034 /nfs/dbraw/zinc/47/20/34/652472034.db2.gz XAFOSTVCVQUYCV-YOEHRIQHSA-N 1 0 386.323 2.438 20 0 GEADRO CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662733099 652472088 /nfs/dbraw/zinc/47/20/88/652472088.db2.gz BWQLKVJBXPGENA-FZKQIMNGSA-N 1 0 396.329 2.386 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)c1cn(CCCC[NH3+])nn1)C2 ZINC000662737685 652472381 /nfs/dbraw/zinc/47/23/81/652472381.db2.gz ARBJGCMISKSYRR-UHFFFAOYSA-N 1 0 378.274 2.244 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2sccc2OC(F)F)CC1 ZINC000662747075 652472846 /nfs/dbraw/zinc/47/28/46/652472846.db2.gz WVAAZCJWCJYOMG-UHFFFAOYSA-N 1 0 375.441 2.070 20 0 GEADRO C[C@@]1(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCC[NH2+]C1 ZINC000662764710 652473561 /nfs/dbraw/zinc/47/35/61/652473561.db2.gz NCJRWKVWNVGJCX-HLLBOEOZSA-N 1 0 382.302 2.428 20 0 GEADRO COC(=O)CC1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000755723808 652473604 /nfs/dbraw/zinc/47/36/04/652473604.db2.gz WVVNSSUYXXZBNT-UHFFFAOYSA-N 1 0 394.269 2.392 20 0 GEADRO O=c1c(Br)nn(C[NH+]2CCC(C3OCCO3)CC2)c2ccccc12 ZINC000755746793 652474897 /nfs/dbraw/zinc/47/48/97/652474897.db2.gz RUQXCDJAYMAXFC-UHFFFAOYSA-N 1 0 394.269 2.201 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc(C)c1Br ZINC000583180229 652475221 /nfs/dbraw/zinc/47/52/21/652475221.db2.gz WKCNFJMEUHJEID-LLVKDONJSA-N 1 0 382.302 2.462 20 0 GEADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000662859954 652476646 /nfs/dbraw/zinc/47/66/46/652476646.db2.gz YIRAAAHFRSHPSK-VMGRFDJRSA-N 1 0 383.286 2.116 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)[C@H](O)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000628968907 652476788 /nfs/dbraw/zinc/47/67/88/652476788.db2.gz WHVRRYMULMMCGK-HZPDHXFCSA-N 1 0 375.296 2.500 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1c[nH]c(=O)c(Br)c1 ZINC000662867405 652476931 /nfs/dbraw/zinc/47/69/31/652476931.db2.gz KZULSAUNYKEENJ-UKRRQHHQSA-N 1 0 376.254 2.425 20 0 GEADRO COc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)c(Cl)cc1Br ZINC000662920301 652478586 /nfs/dbraw/zinc/47/85/86/652478586.db2.gz VEAJCJPNEDLRFM-RTHLEPHNSA-N 1 0 375.650 2.286 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC[C@H]1F ZINC000662926605 652479043 /nfs/dbraw/zinc/47/90/43/652479043.db2.gz QMLVEJVJSUOJPI-KFWWJZLASA-N 1 0 398.276 2.010 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000662943639 652479439 /nfs/dbraw/zinc/47/94/39/652479439.db2.gz VTHFPCDPULFSSM-CQSZACIVSA-N 1 0 386.265 2.059 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C[C@@H]1C[NH3+] ZINC000662968741 652479724 /nfs/dbraw/zinc/47/97/24/652479724.db2.gz HNCXXOSOYSLFHT-AAEUAGOBSA-N 1 0 384.307 2.321 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)C2 ZINC000662992352 652480567 /nfs/dbraw/zinc/48/05/67/652480567.db2.gz GCUUODRFYDBGTG-STQMWFEESA-N 1 0 394.313 2.186 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCC1 ZINC000583317724 652480960 /nfs/dbraw/zinc/48/09/60/652480960.db2.gz VRYAYWIOINKZNY-GFCCVEGCSA-N 1 0 382.309 2.290 20 0 GEADRO CN(C(=O)Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1CC[NH2+]C1 ZINC000583310186 652481038 /nfs/dbraw/zinc/48/10/38/652481038.db2.gz VAIHMRYYGPNXSX-NSHDSACASA-N 1 0 382.287 2.793 20 0 GEADRO C[C@@H](NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)[C@H](C)[NH3+] ZINC000583321377 652481253 /nfs/dbraw/zinc/48/12/53/652481253.db2.gz FFJAUQPDWODMOK-VHSXEESVSA-N 1 0 378.274 2.373 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000583564465 652490003 /nfs/dbraw/zinc/49/00/03/652490003.db2.gz RSRJJWONNNZVHU-ZJUUUORDSA-N 1 0 379.258 2.178 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1Cl ZINC000663310743 652493057 /nfs/dbraw/zinc/49/30/57/652493057.db2.gz FEMKPDDYENVMRU-CQSZACIVSA-N 1 0 383.297 2.049 20 0 GEADRO Cc1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000663312071 652493503 /nfs/dbraw/zinc/49/35/03/652493503.db2.gz SUDDEYASFAVQJE-JTQLQIEISA-N 1 0 375.210 2.268 20 0 GEADRO CCn1nncc1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000629596378 652494593 /nfs/dbraw/zinc/49/45/93/652494593.db2.gz XVIRCIWANQJJCH-LBPRGKRZSA-N 1 0 389.681 2.243 20 0 GEADRO O[C@@H](C[NH2+]CC1CCC(O)CC1)COc1cc(F)cc(Br)c1 ZINC000663366794 652495618 /nfs/dbraw/zinc/49/56/18/652495618.db2.gz PPURCQMGRPCZJR-KWCHVYNWSA-N 1 0 376.266 2.469 20 0 GEADRO O=C(NCCC[NH2+]C[C@H](O)CC(F)(F)F)c1ccc(Br)cc1 ZINC000583807578 652497702 /nfs/dbraw/zinc/49/77/02/652497702.db2.gz QXSREVXFZJNUIO-GFCCVEGCSA-N 1 0 383.208 2.472 20 0 GEADRO O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000583872620 652500868 /nfs/dbraw/zinc/50/08/68/652500868.db2.gz VZWCWOKEOSAZJD-INIZCTEOSA-N 1 0 394.313 2.266 20 0 GEADRO C[C@@](O)(C[C@H](O)C[NH+]1CCN(c2ccc(Br)cc2)CC1)C1CC1 ZINC000630049914 652501872 /nfs/dbraw/zinc/50/18/72/652501872.db2.gz JYMSEWQYHDECTJ-ZWKOTPCHSA-N 1 0 383.330 2.483 20 0 GEADRO COc1ccc(I)c(NC(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000583919462 652502799 /nfs/dbraw/zinc/50/27/99/652502799.db2.gz XJGBXFBOBGFGGI-VIFPVBQESA-N 1 0 375.210 2.125 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(I)cc1Cl)Cn1cccn1 ZINC000583930038 652503018 /nfs/dbraw/zinc/50/30/18/652503018.db2.gz NUZFCTKILHBNAV-GFCCVEGCSA-N 1 0 391.640 2.292 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663606052 652506153 /nfs/dbraw/zinc/50/61/53/652506153.db2.gz WOKZLTLHKGXQED-CQSZACIVSA-N 1 0 379.766 2.374 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663605323 652506206 /nfs/dbraw/zinc/50/62/06/652506206.db2.gz SFHHHOONCWQPLV-RKDXNWHRSA-N 1 0 379.766 2.373 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663605318 652506226 /nfs/dbraw/zinc/50/62/26/652506226.db2.gz SFHHHOONCWQPLV-BDAKNGLRSA-N 1 0 379.766 2.373 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000663613422 652506604 /nfs/dbraw/zinc/50/66/04/652506604.db2.gz QOADHXVDNOQFJF-INIZCTEOSA-N 1 0 384.274 2.043 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000584040328 652506792 /nfs/dbraw/zinc/50/67/92/652506792.db2.gz DTGVHTBYAMJQGI-UHFFFAOYSA-N 1 0 380.290 2.485 20 0 GEADRO Brc1ccc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2c1 ZINC000663639281 652507423 /nfs/dbraw/zinc/50/74/23/652507423.db2.gz WDMCWKCGUMTBLG-UHFFFAOYSA-N 1 0 380.290 2.040 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000584054409 652507444 /nfs/dbraw/zinc/50/74/44/652507444.db2.gz XPPPNUSUMMODJV-MNOVXSKESA-N 1 0 396.285 2.067 20 0 GEADRO CO[C@H]1CCN(Cc2nc(-c3cc(Br)cs3)no2)[C@H](C[NH3+])C1 ZINC000584053972 652507455 /nfs/dbraw/zinc/50/74/55/652507455.db2.gz YGFFKELRQXZMRE-QWRGUYRKSA-N 1 0 387.303 2.499 20 0 GEADRO Cc1c(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000756902705 652508447 /nfs/dbraw/zinc/50/84/47/652508447.db2.gz VWCIFXITJQLFQT-ZIAGYGMSSA-N 1 0 382.555 2.424 20 0 GEADRO O=C(NCc1cc(Br)cs1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663705708 652509698 /nfs/dbraw/zinc/50/96/98/652509698.db2.gz YYPDNCCKCMZFHN-CYBMUJFWSA-N 1 0 388.331 2.251 20 0 GEADRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)nn1-c1ccc(Br)cc1 ZINC000584212773 652513456 /nfs/dbraw/zinc/51/34/56/652513456.db2.gz BGFZGUZWJLQHAY-OAHLLOKOSA-N 1 0 393.285 2.052 20 0 GEADRO Cn1ncc(I)c1C(=O)Nc1ccccc1C[NH+](C)C ZINC000584208913 652513465 /nfs/dbraw/zinc/51/34/65/652513465.db2.gz UEYFKZRYNOVQHC-UHFFFAOYSA-N 1 0 384.221 2.339 20 0 GEADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)CC1 ZINC000584290892 652515141 /nfs/dbraw/zinc/51/51/41/652515141.db2.gz NLWLMLCMHJQMJM-UHFFFAOYSA-N 1 0 397.324 2.391 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1cc(Br)cnn1 ZINC000663898442 652515592 /nfs/dbraw/zinc/51/55/92/652515592.db2.gz DYQOMNCRKIVCEX-BLLLJJGKSA-N 1 0 379.306 2.492 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)NCCc2ccc(F)c(Br)c2)cn1 ZINC000630788198 652515947 /nfs/dbraw/zinc/51/59/47/652515947.db2.gz GJEVWGDTGAGGOO-UHFFFAOYSA-N 1 0 383.265 2.319 20 0 GEADRO Cc1nc(C)c(Br)c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)n1 ZINC000663907398 652516198 /nfs/dbraw/zinc/51/61/98/652516198.db2.gz SHTSZEBXHKXAQB-AGUYFDCRSA-N 1 0 396.333 2.351 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCNC(=O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000584346790 652517715 /nfs/dbraw/zinc/51/77/15/652517715.db2.gz CWWDBFUONXJBHO-GOEBONIOSA-N 1 0 394.313 2.122 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000584377837 652518939 /nfs/dbraw/zinc/51/89/39/652518939.db2.gz HUKUAWAUNJUKIL-ZFWWWQNUSA-N 1 0 385.496 2.101 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccncc2Br)c1 ZINC000631059993 652519459 /nfs/dbraw/zinc/51/94/59/652519459.db2.gz AZGMPARVSDSRGM-UHFFFAOYSA-N 1 0 391.313 2.425 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000584400536 652519867 /nfs/dbraw/zinc/51/98/67/652519867.db2.gz UDHRTCNJCQIMTA-UHFFFAOYSA-N 1 0 378.336 2.403 20 0 GEADRO O=C(NCCSc1ccc(Cl)cc1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584400770 652519909 /nfs/dbraw/zinc/51/99/09/652519909.db2.gz ZHHSXOSTJWGAPH-SFHVURJKSA-N 1 0 381.929 2.150 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c(F)cncc1Br ZINC000631386378 652522788 /nfs/dbraw/zinc/52/27/88/652522788.db2.gz OMTSHNOQXLSOID-LLVKDONJSA-N 1 0 386.265 2.214 20 0 GEADRO C[C@H](CCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[NH+](C)C ZINC000664201120 652523337 /nfs/dbraw/zinc/52/33/37/652523337.db2.gz IQVSHRAAPIQVQB-LLVKDONJSA-N 1 0 395.305 2.374 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000584700642 652526184 /nfs/dbraw/zinc/52/61/84/652526184.db2.gz AJLDBNAGPGWSQZ-UHFFFAOYSA-N 1 0 378.274 2.198 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000584717457 652526855 /nfs/dbraw/zinc/52/68/55/652526855.db2.gz BZDJCMDFYLYCGG-QMMMGPOBSA-N 1 0 377.344 2.414 20 0 GEADRO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Oc1cccc(Br)c1 ZINC000631549481 652527457 /nfs/dbraw/zinc/52/74/57/652527457.db2.gz XBPBQRXVGNSBLK-CYBMUJFWSA-N 1 0 395.301 2.405 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)CCO1 ZINC000664481072 652528539 /nfs/dbraw/zinc/52/85/39/652528539.db2.gz UWVGPWAWHPPWFN-CYBMUJFWSA-N 1 0 397.317 2.299 20 0 GEADRO O=C(c1cccnc1I)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000758109940 652530799 /nfs/dbraw/zinc/53/07/99/652530799.db2.gz USBNDMUTNKDECY-GFCCVEGCSA-N 1 0 385.249 2.387 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 ZINC000664584020 652530877 /nfs/dbraw/zinc/53/08/77/652530877.db2.gz IUPQQVODXALIAL-UHFFFAOYSA-N 1 0 379.766 2.388 20 0 GEADRO CO[C@@H]1COC[C@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000584836759 652531341 /nfs/dbraw/zinc/53/13/41/652531341.db2.gz RVONJWXYXNJFNG-ZIAGYGMSSA-N 1 0 377.222 2.064 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(c2cc(Br)cc(F)c2C(N)=O)CCO1 ZINC000664656078 652533974 /nfs/dbraw/zinc/53/39/74/652533974.db2.gz DMAIRWZWYPEUID-GFCCVEGCSA-N 1 0 388.281 2.234 20 0 GEADRO CCOc1nn(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(=S)s1 ZINC000758265294 652535655 /nfs/dbraw/zinc/53/56/55/652535655.db2.gz QHBHODFOLSKKMJ-UHFFFAOYSA-N 1 0 385.603 2.380 20 0 GEADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 ZINC000631807830 652535634 /nfs/dbraw/zinc/53/56/34/652535634.db2.gz YWNLAIBBKSNQPE-UHFFFAOYSA-N 1 0 383.539 2.143 20 0 GEADRO CN(C)C1(CS(=O)(=O)N(C)Cc2cc(Br)ccc2F)CC1 ZINC000631817732 652536501 /nfs/dbraw/zinc/53/65/01/652536501.db2.gz SXVRIRWNXVHODR-UHFFFAOYSA-N 1 0 379.295 2.444 20 0 GEADRO COCC(C)(C)C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000585743338 652536626 /nfs/dbraw/zinc/53/66/26/652536626.db2.gz INPMTOPCGHXTPB-UHFFFAOYSA-N 1 0 376.238 2.492 20 0 GEADRO COc1cc(C[NH2+]CCCN(C)S(C)(=O)=O)ccc1OCC(F)(F)F ZINC000585814153 652538941 /nfs/dbraw/zinc/53/89/41/652538941.db2.gz PCQKNDUNPGMQCW-UHFFFAOYSA-N 1 0 384.420 2.007 20 0 GEADRO CCSc1ccc([C@H](C)NS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1 ZINC000631898835 652539088 /nfs/dbraw/zinc/53/90/88/652539088.db2.gz AWYAQKMRVOUQPG-INIZCTEOSA-N 1 0 385.599 2.417 20 0 GEADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(Br)c2)C1 ZINC000631901870 652539381 /nfs/dbraw/zinc/53/93/81/652539381.db2.gz AEKJRWRNUALQOW-QMMMGPOBSA-N 1 0 398.120 2.181 20 0 GEADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631904002 652539447 /nfs/dbraw/zinc/53/94/47/652539447.db2.gz APTXZOMWHRWRLX-MRVPVSSYSA-N 1 0 376.301 2.041 20 0 GEADRO O=S(=O)(C[C@H]1CCCC(F)(F)C1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000631905499 652539783 /nfs/dbraw/zinc/53/97/83/652539783.db2.gz ONZVXVBAYFRQBO-HNNXBMFYSA-N 1 0 380.501 2.376 20 0 GEADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000631909954 652540351 /nfs/dbraw/zinc/54/03/51/652540351.db2.gz TVMQJTRZADYSRT-BLLLJJGKSA-N 1 0 384.548 2.075 20 0 GEADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000631914682 652540811 /nfs/dbraw/zinc/54/08/11/652540811.db2.gz ZKQMYNLBWVSEFT-QZTJIDSGSA-N 1 0 380.897 2.337 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cnc3c(Br)csc3c2)CC[NH2+]1 ZINC000631932375 652541465 /nfs/dbraw/zinc/54/14/65/652541465.db2.gz NXTCXMTYUSJZRI-RKDXNWHRSA-N 1 0 390.328 2.478 20 0 GEADRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631930779 652541519 /nfs/dbraw/zinc/54/15/19/652541519.db2.gz YFIANDCRDSQVCS-GJZGRUSLSA-N 1 0 381.523 2.210 20 0 GEADRO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631930778 652541567 /nfs/dbraw/zinc/54/15/67/652541567.db2.gz YFIANDCRDSQVCS-CABCVRRESA-N 1 0 381.523 2.210 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631932664 652541827 /nfs/dbraw/zinc/54/18/27/652541827.db2.gz XJRFTIGFKHJJMW-RKDXNWHRSA-N 1 0 390.328 2.417 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1ccc(Br)cc1Br ZINC000631973187 652543340 /nfs/dbraw/zinc/54/33/40/652543340.db2.gz GLWBGCYAVQMHGB-CBAPKCEASA-N 1 0 398.120 2.322 20 0 GEADRO CCN(C[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1)CC(F)(F)F ZINC000632065103 652548488 /nfs/dbraw/zinc/54/84/88/652548488.db2.gz WYQHUSYOAVGVTI-OAHLLOKOSA-N 1 0 385.496 2.008 20 0 GEADRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCNC(=O)c1ccc(Br)cn1 ZINC000665236614 652549384 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COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000632368022 652559396 /nfs/dbraw/zinc/55/93/96/652559396.db2.gz AZZDCDGTWDMLMS-IINYFYTJSA-N 1 0 389.905 2.020 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(F)c1Cl ZINC000632368302 652559777 /nfs/dbraw/zinc/55/97/77/652559777.db2.gz FNJXDBHFDABESM-QPUJVOFHSA-N 1 0 395.859 2.290 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c(Br)c1 ZINC000589229563 652562319 /nfs/dbraw/zinc/56/23/19/652562319.db2.gz JNFUOCGGISUXNM-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000589230851 652562326 /nfs/dbraw/zinc/56/23/26/652562326.db2.gz VHKRQJVCGLYJQB-RYUDHWBXSA-N 1 0 396.285 2.139 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000589236211 652563289 /nfs/dbraw/zinc/56/32/89/652563289.db2.gz BNCFEOPLQGDJAN-GFCCVEGCSA-N 1 0 398.301 2.243 20 0 GEADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632575259 652568056 /nfs/dbraw/zinc/56/80/56/652568056.db2.gz HGBCZPFVSBGMTK-GFCCVEGCSA-N 1 0 378.441 2.481 20 0 GEADRO Cc1csc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 ZINC000666220761 652569344 /nfs/dbraw/zinc/56/93/44/652569344.db2.gz DXNMOEWVIMTRBY-UHFFFAOYSA-N 1 0 390.328 2.194 20 0 GEADRO CC[C@H](CNCc1ccc(S(N)(=O)=O)c(Br)c1)[NH+]1CCCC1 ZINC000666220780 652569383 /nfs/dbraw/zinc/56/93/83/652569383.db2.gz NQZKJFQUEOZTQQ-CYBMUJFWSA-N 1 0 390.347 2.061 20 0 GEADRO CSC1(CNC(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC[NH+](C)CC1 ZINC000589630429 652570030 /nfs/dbraw/zinc/57/00/30/652570030.db2.gz SQCJNEXGOSWYGY-OLZOCXBDSA-N 1 0 383.480 2.159 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000666355416 652573146 /nfs/dbraw/zinc/57/31/46/652573146.db2.gz GZXGIBNDMYEFJF-UHFFFAOYSA-N 1 0 399.333 2.495 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c(I)c1 ZINC000590045845 652573406 /nfs/dbraw/zinc/57/34/06/652573406.db2.gz XXOVMJVTGHXLRF-QMTHXVAHSA-N 1 0 386.233 2.076 20 0 GEADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000590192557 652576299 /nfs/dbraw/zinc/57/62/99/652576299.db2.gz FLIUHXYMFYZRIC-SNVBAGLBSA-N 1 0 375.238 2.260 20 0 GEADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000590751356 652580411 /nfs/dbraw/zinc/58/04/11/652580411.db2.gz SQTHATKKKLTRON-KGLIPLIRSA-N 1 0 390.299 2.154 20 0 GEADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632879063 652581633 /nfs/dbraw/zinc/58/16/33/652581633.db2.gz VJKRNTMFSVLFCD-SMDDNHRTSA-N 1 0 381.270 2.434 20 0 GEADRO Cc1cc(Br)c(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)s1 ZINC000666638915 652581834 /nfs/dbraw/zinc/58/18/34/652581834.db2.gz QRHLHRINJOXFRM-GFCCVEGCSA-N 1 0 390.347 2.465 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000666610361 652581857 /nfs/dbraw/zinc/58/18/57/652581857.db2.gz XJIYJPMCXBZTLR-QWRGUYRKSA-N 1 0 379.258 2.388 20 0 GEADRO Cc1cc(Br)c(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)s1 ZINC000666639434 652582249 /nfs/dbraw/zinc/58/22/49/652582249.db2.gz DTENWZYVSQGKRB-WDEREUQCSA-N 1 0 390.347 2.416 20 0 GEADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2c(Br)cnn2C)C1 ZINC000632898653 652582834 /nfs/dbraw/zinc/58/28/34/652582834.db2.gz MNSYJVSXQNQYCD-ZDUSSCGKSA-N 1 0 386.338 2.494 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000592103652 652585740 /nfs/dbraw/zinc/58/57/40/652585740.db2.gz UMTSQTPNQUJHDI-MRXNPFEDSA-N 1 0 395.297 2.452 20 0 GEADRO C[C@H](CCNC(=O)Nc1ccnn1-c1ccc(Br)cn1)[NH+](C)C ZINC000666958584 652588374 /nfs/dbraw/zinc/58/83/74/652588374.db2.gz DEECKYRPCORRMQ-LLVKDONJSA-N 1 0 381.278 2.492 20 0 GEADRO CN(Cc1ccc(Br)cc1F)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000633266523 652590472 /nfs/dbraw/zinc/59/04/72/652590472.db2.gz SBYTZWDNTLLXGF-UHFFFAOYSA-N 1 0 388.281 2.452 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C(=O)NC)c2Br)C1 ZINC000667085437 652591247 /nfs/dbraw/zinc/59/12/47/652591247.db2.gz GETKBPVPSJPDNF-LLVKDONJSA-N 1 0 383.290 2.415 20 0 GEADRO CC[N@H+](CCSC)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000592202342 652591531 /nfs/dbraw/zinc/59/15/31/652591531.db2.gz XSHIFVHLJFGAMG-AWEZNQCLSA-N 1 0 387.571 2.385 20 0 GEADRO [NH3+]C/C=C\CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000667106322 652591947 /nfs/dbraw/zinc/59/19/47/652591947.db2.gz NXHISKSKLTUMSQ-UPHRSURJSA-N 1 0 383.168 2.422 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000667133335 652593376 /nfs/dbraw/zinc/59/33/76/652593376.db2.gz WOQRFYPMTHFBGT-WBVHZDCISA-N 1 0 384.318 2.136 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(CCCOc2cccc(I)c2)CCO1 ZINC000592428590 652594475 /nfs/dbraw/zinc/59/44/75/652594475.db2.gz CODUOLRACUMWOH-SWLSCSKDSA-N 1 0 390.265 2.108 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000592433745 652594812 /nfs/dbraw/zinc/59/48/12/652594812.db2.gz GUGAZOAZABWANO-OAHLLOKOSA-N 1 0 393.285 2.176 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1cccc(I)c1 ZINC000592479988 652597060 /nfs/dbraw/zinc/59/70/60/652597060.db2.gz KYJBPPSTHZIDOP-AWEZNQCLSA-N 1 0 387.265 2.304 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1CCOc1ccc(Cl)cc1Br ZINC000592492827 652597852 /nfs/dbraw/zinc/59/78/52/652597852.db2.gz VDDKBGYGASCNFI-CYBMUJFWSA-N 1 0 391.693 2.318 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 ZINC000667277154 652599720 /nfs/dbraw/zinc/59/97/20/652599720.db2.gz PTVPWLHGYHHVCW-MRVPVSSYSA-N 1 0 394.191 2.214 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCCc1ccc(Br)s1 ZINC000592551496 652599900 /nfs/dbraw/zinc/59/99/00/652599900.db2.gz WRYCFXUMFQBRER-GFCCVEGCSA-N 1 0 389.315 2.197 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCOc1ccc(Cl)cc1Cl ZINC000592550341 652599917 /nfs/dbraw/zinc/59/99/17/652599917.db2.gz FPZDBGKPCKHUAB-CYBMUJFWSA-N 1 0 375.252 2.126 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000667286374 652600237 /nfs/dbraw/zinc/60/02/37/652600237.db2.gz ZFSXTOUPMPCJJW-UHFFFAOYSA-N 1 0 383.290 2.126 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000667374749 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GEADRO O=C(Nc1ccc(Cl)cc1OCC(F)F)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667504819 652608898 /nfs/dbraw/zinc/60/88/98/652608898.db2.gz PMFCAIUJOVKECE-LLVKDONJSA-N 1 0 375.803 2.181 20 0 GEADRO O=C(Nc1cccc(Cl)c1OCC(F)F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667504754 652608902 /nfs/dbraw/zinc/60/89/02/652608902.db2.gz KSLSFBPNHJATCP-JTQLQIEISA-N 1 0 375.803 2.181 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667505796 652609316 /nfs/dbraw/zinc/60/93/16/652609316.db2.gz BIZCVNODUDFUPY-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000667524211 652610834 /nfs/dbraw/zinc/61/08/34/652610834.db2.gz VRQDJVTVNOVHDT-AOOOYVTPSA-N 1 0 386.677 2.394 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667540426 652611496 /nfs/dbraw/zinc/61/14/96/652611496.db2.gz KPPKEWRCVWXDPI-ZANVPECISA-N 1 0 386.677 2.251 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(Br)c1 ZINC000667540287 652611546 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GEADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@@H](CO)c1cccc(Br)c1 ZINC000667799508 652619880 /nfs/dbraw/zinc/61/98/80/652619880.db2.gz WWVIJAQDPMRSCN-INIZCTEOSA-N 1 0 391.269 2.345 20 0 GEADRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000760902931 652627645 /nfs/dbraw/zinc/62/76/45/652627645.db2.gz DFCRVLSWZOZCLZ-INIZCTEOSA-N 1 0 382.258 2.278 20 0 GEADRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCNS(=O)(=O)N(C)C ZINC000668147802 652630588 /nfs/dbraw/zinc/63/05/88/652630588.db2.gz WCUWHGVRECCOPD-JTQLQIEISA-N 1 0 387.855 2.275 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CC[N@H+](C)[C@H](C)C1 ZINC000761082557 652631865 /nfs/dbraw/zinc/63/18/65/652631865.db2.gz QLBAYLMYAOZFFV-NEPJUHHUSA-N 1 0 387.265 2.254 20 0 GEADRO CCS(=O)(=O)N(C)C1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000761198125 652636656 /nfs/dbraw/zinc/63/66/56/652636656.db2.gz IASNQYKWQDUORG-UHFFFAOYSA-N 1 0 377.551 2.036 20 0 GEADRO C[C@@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc(S(C)(=O)=O)cc1 ZINC000634299486 652636795 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CNc1cc(I)ccc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000594364063 652646033 /nfs/dbraw/zinc/64/60/33/652646033.db2.gz WRSICWWEASOFLJ-HZMBPMFUSA-N 1 0 385.249 2.109 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000594364070 652646040 /nfs/dbraw/zinc/64/60/40/652646040.db2.gz WRSICWWEASOFLJ-IINYFYTJSA-N 1 0 385.249 2.109 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCOCC2)cc1Br ZINC000634640160 652646067 /nfs/dbraw/zinc/64/60/67/652646067.db2.gz VNWBSQIMVSWFPS-TZMCWYRMSA-N 1 0 388.302 2.401 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000594403152 652647031 /nfs/dbraw/zinc/64/70/31/652647031.db2.gz MCODDLWMGGNAED-JGZJWPJOSA-N 1 0 398.248 2.238 20 0 GEADRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1cc(Br)ccc1C(N)=O ZINC000634652495 652647261 /nfs/dbraw/zinc/64/72/61/652647261.db2.gz SDCPLIRKWQRYJU-HNNXBMFYSA-N 1 0 393.281 2.420 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000761504581 652649753 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O[C@@H](C[NH2+]CC1(c2cccc(Br)c2)CC1)CC1(O)CCOCC1 ZINC000634704702 652655145 /nfs/dbraw/zinc/65/51/45/652655145.db2.gz OHCVSLHXNAVSEO-MRXNPFEDSA-N 1 0 384.314 2.363 20 0 GEADRO C[C@@H](C[NH2+]C[C@@H](O)CC1(O)CCOCC1)Oc1cccc(Br)c1 ZINC000634706352 652655937 /nfs/dbraw/zinc/65/59/37/652655937.db2.gz OFJXBLOELXMDCH-ZFWWWQNUSA-N 1 0 388.302 2.099 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634712098 652656572 /nfs/dbraw/zinc/65/65/72/652656572.db2.gz ZBSCBMOHGFNAOD-DJIMGWMZSA-N 1 0 394.295 2.143 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)CC1(O)CCOCC1 ZINC000634715798 652658242 /nfs/dbraw/zinc/65/82/42/652658242.db2.gz KCWJXWBLHBAULT-XHDPSFHLSA-N 1 0 388.277 2.458 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000668669878 652658301 /nfs/dbraw/zinc/65/83/01/652658301.db2.gz ZOWXEHZTCQCQOB-GFCCVEGCSA-N 1 0 382.291 2.231 20 0 GEADRO C[C@](O)(C[C@H](O)C[NH2+]C[C@H](CO)Cc1ccccc1Br)C1CC1 ZINC000634721425 652658789 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C[C@H]1CC[C@H]([NH2+]Cc2ccc(I)cc2)CS1(=O)=O ZINC000594978112 652700133 /nfs/dbraw/zinc/70/01/33/652700133.db2.gz XYQFGDOAONRLGD-GWCFXTLKSA-N 1 0 379.263 2.347 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000669445251 652700479 /nfs/dbraw/zinc/70/04/79/652700479.db2.gz OYFLTDYLNFZHMA-DOMZBBRYSA-N 1 0 395.301 2.089 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000669458280 652700976 /nfs/dbraw/zinc/70/09/76/652700976.db2.gz ZDCDNCQACFFKSM-ZFWWWQNUSA-N 1 0 381.318 2.327 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669458048 652701037 /nfs/dbraw/zinc/70/10/37/652701037.db2.gz MGMGKKCHPOQHLT-GJZGRUSLSA-N 1 0 381.318 2.469 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000669535385 652705133 /nfs/dbraw/zinc/70/51/33/652705133.db2.gz KWDUGAANZLJGKX-DGCLKSJQSA-N 1 0 388.281 2.197 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCc2cc(Cl)ccc2Br)CCO1 ZINC000669538883 652705145 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389.283 2.080 20 0 GEADRO CC[C@H]1CN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000669592610 652708153 /nfs/dbraw/zinc/70/81/53/652708153.db2.gz QZDFYPCSCWDDRX-XJKSGUPXSA-N 1 0 387.933 2.273 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000595228466 652708387 /nfs/dbraw/zinc/70/83/87/652708387.db2.gz AKCYCDIFIDECGC-UHOFOFEASA-N 1 0 383.945 2.387 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000762636856 652709144 /nfs/dbraw/zinc/70/91/44/652709144.db2.gz ZYVPTMMDFSRQHU-IKGGRYGDSA-N 1 0 385.599 2.120 20 0 GEADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595260225 652711837 /nfs/dbraw/zinc/71/18/37/652711837.db2.gz XTFKGINDMKKYRH-VHSXEESVSA-N 1 0 384.221 2.494 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2cc(F)c(F)cc2I)CC[C@H]1F ZINC000595261325 652712440 /nfs/dbraw/zinc/71/24/40/652712440.db2.gz WGHYTYBKJCPEKE-RDDDGLTNSA-N 1 0 384.139 2.081 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)N1CC[NH+](CC2CCOCC2)CC1 ZINC000763077315 652736057 /nfs/dbraw/zinc/73/60/57/652736057.db2.gz BYNNVJSHOZEVCR-IXDOHACOSA-N 1 0 385.599 2.120 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC2(COC2)C1 ZINC000595834908 652738024 /nfs/dbraw/zinc/73/80/24/652738024.db2.gz QKWRHPHTKIPBRD-NSHDSACASA-N 1 0 386.233 2.341 20 0 GEADRO O=C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)Nc1cccc(I)c1 ZINC000595831323 652738105 /nfs/dbraw/zinc/73/81/05/652738105.db2.gz NUZRRMQZIPMEIF-RYUDHWBXSA-N 1 0 386.233 2.198 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN(C)CC(C)(C)[NH3+] ZINC000595902539 652742414 /nfs/dbraw/zinc/74/24/14/652742414.db2.gz RKBHOLJMSFNVMS-UHFFFAOYSA-N 1 0 375.254 2.207 20 0 GEADRO O=C(Nc1nc2cc(I)ccc2[nH]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000595950598 652742510 /nfs/dbraw/zinc/74/25/10/652742510.db2.gz ULODCMYKDLJJIX-OTYXRUKQSA-N 1 0 382.205 2.106 20 0 GEADRO COc1ccc(C(=O)NCC[C@@H]([NH3+])C(C)C)c(I)c1 ZINC000595951990 652743056 /nfs/dbraw/zinc/74/30/56/652743056.db2.gz VBEQEZXGXTWBLZ-CYBMUJFWSA-N 1 0 376.238 2.403 20 0 GEADRO O=C(c1cc(Br)ccc1O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670392666 652744935 /nfs/dbraw/zinc/74/49/35/652744935.db2.gz FYCGXSWPLXVOSB-CQSZACIVSA-N 1 0 383.286 2.482 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000670473221 652751160 /nfs/dbraw/zinc/75/11/60/652751160.db2.gz SADOKEORBVJRKD-UHFFFAOYSA-N 1 0 396.329 2.055 20 0 GEADRO C[C@H]1CN(Cn2ncc(Br)c2C2CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763334291 652751765 /nfs/dbraw/zinc/75/17/65/652751765.db2.gz JQDXVCPNQKSSLM-YOEHRIQHSA-N 1 0 396.377 2.438 20 0 GEADRO C[C@@H]1CN(Cn2ncc(Br)c2C2CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763334289 652751923 /nfs/dbraw/zinc/75/19/23/652751923.db2.gz JQDXVCPNQKSSLM-RHSMWYFYSA-N 1 0 396.377 2.438 20 0 GEADRO CC1(C)CC(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC(C)(C)[NH2+]1 ZINC000763497229 652759841 /nfs/dbraw/zinc/75/98/41/652759841.db2.gz AKJRUIPPLXHRMS-UHFFFAOYSA-N 1 0 391.896 2.166 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)s2)cs1 ZINC000670720079 652760824 /nfs/dbraw/zinc/76/08/24/652760824.db2.gz MYKYUNZALOORKR-LBPRGKRZSA-N 1 0 378.523 2.007 20 0 GEADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000763619621 652764392 /nfs/dbraw/zinc/76/43/92/652764392.db2.gz YTTSOHAAWRHVOU-UHFFFAOYSA-N 1 0 391.921 2.264 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000635983011 652770731 /nfs/dbraw/zinc/77/07/31/652770731.db2.gz JIURSKAXETUUHV-LRDDRELGSA-N 1 0 385.302 2.291 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC000635983166 652770767 /nfs/dbraw/zinc/77/07/67/652770767.db2.gz LCVCYLMNMJXDPJ-HNNXBMFYSA-N 1 0 385.302 2.291 20 0 GEADRO COC(=O)C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000763758098 652772201 /nfs/dbraw/zinc/77/22/01/652772201.db2.gz ZURJUXRCRVEPRN-LSDHHAIUSA-N 1 0 381.270 2.486 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000636009174 652773947 /nfs/dbraw/zinc/77/39/47/652773947.db2.gz XGOFJJDTKZNGQL-UONOGXRCSA-N 1 0 387.293 2.197 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2cccc(Br)c2F)CC[N@H+](C)C1 ZINC000597080130 652773921 /nfs/dbraw/zinc/77/39/21/652773921.db2.gz XBSSVVPCIWSIET-SNVBAGLBSA-N 1 0 388.237 2.157 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](C(=O)OC)C1 ZINC000597220648 652776377 /nfs/dbraw/zinc/77/63/77/652776377.db2.gz FFQHJWCMFXSXBQ-GYSYKLTISA-N 1 0 399.285 2.004 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104407 652778848 /nfs/dbraw/zinc/77/88/48/652778848.db2.gz IVJNSSCJPCNDNO-LSDHHAIUSA-N 1 0 394.313 2.151 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000763952856 652780395 /nfs/dbraw/zinc/78/03/95/652780395.db2.gz ODZCTYOEBOSYAC-UHFFFAOYSA-N 1 0 387.347 2.150 20 0 GEADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1-n1cncn1 ZINC000636098415 652780735 /nfs/dbraw/zinc/78/07/35/652780735.db2.gz QZLLJMIVROHHKC-OKILXGFUSA-N 1 0 390.285 2.386 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccsc1 ZINC000671149426 652781099 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C[NH+]1CCC(CCNC(=O)C(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000636623715 652812591 /nfs/dbraw/zinc/81/25/91/652812591.db2.gz DCPAPFXRCHFEBW-UHFFFAOYSA-N 1 0 377.432 2.231 20 0 GEADRO COCC[C@@H](C)NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636654582 652814922 /nfs/dbraw/zinc/81/49/22/652814922.db2.gz BPFNAJFKHZOSIZ-IAQYHMDHSA-N 1 0 390.311 2.254 20 0 GEADRO CC[C@@H]1CN(C(=O)c2n[nH]c3ccc(I)cc32)C[C@H](C)[NH2+]1 ZINC000598530994 652819730 /nfs/dbraw/zinc/81/97/30/652819730.db2.gz CUTPZAIPCWOACD-GXSJLCMTSA-N 1 0 398.248 2.380 20 0 GEADRO COc1ccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c(I)c1 ZINC000598668541 652827480 /nfs/dbraw/zinc/82/74/80/652827480.db2.gz XJGMMFHOADCUQU-BONVTDFDSA-N 1 0 386.233 2.253 20 0 GEADRO CC1(C)CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c2ccc(Br)cc21 ZINC000672190552 652829480 /nfs/dbraw/zinc/82/94/80/652829480.db2.gz IWOIOKNMRGLSMS-INIZCTEOSA-N 1 0 378.314 2.463 20 0 GEADRO C[NH+](C)C1CC(NC(=O)c2cc(F)c(F)cc2I)C1 ZINC000598716232 652831155 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CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccsc2Br)C1 ZINC000672871925 652847942 /nfs/dbraw/zinc/84/79/42/652847942.db2.gz YKYZPOHBKBFHRQ-LBPRGKRZSA-N 1 0 388.331 2.116 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncnc4cccc(I)c43)C[C@H]21 ZINC000599084730 652848050 /nfs/dbraw/zinc/84/80/50/652848050.db2.gz WGQSTTWFFMFFLP-MSRIBSCDSA-N 1 0 380.233 2.231 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599100006 652849227 /nfs/dbraw/zinc/84/92/27/652849227.db2.gz DBPYXGCEUOPQNZ-CYBMUJFWSA-N 1 0 382.507 2.306 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000672896768 652849696 /nfs/dbraw/zinc/84/96/96/652849696.db2.gz ZSNADUURWURBLW-NSHDSACASA-N 1 0 375.803 2.133 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000672896697 652849802 /nfs/dbraw/zinc/84/98/02/652849802.db2.gz QZNCJBSTFVOETK-MRVPVSSYSA-N 1 0 392.656 2.391 20 0 GEADRO O=C(NCC[NH2+]C1CC1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000637308606 652850987 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C[NH+](C)C[C@H](NC(=O)NCC(=O)NCC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000637472302 652862420 /nfs/dbraw/zinc/86/24/20/652862420.db2.gz FSLQCVNTVXXORW-LBPRGKRZSA-N 1 0 397.253 2.277 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)N1CCC(O)(CO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000637474794 652862720 /nfs/dbraw/zinc/86/27/20/652862720.db2.gz RJESFVCZZPNEQX-HNNXBMFYSA-N 1 0 390.311 2.125 20 0 GEADRO COCC[C@H](CO)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637474802 652862746 /nfs/dbraw/zinc/86/27/46/652862746.db2.gz RLLVHPTWSCRUJE-IUODEOHRSA-N 1 0 378.300 2.293 20 0 GEADRO CN(CCOCCO)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637474073 652862937 /nfs/dbraw/zinc/86/29/37/652862937.db2.gz NWHZQDKYUVDLQV-OAHLLOKOSA-N 1 0 378.300 2.246 20 0 GEADRO C[C@@H]1OCC[C@@]1(O)CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637475357 652863366 /nfs/dbraw/zinc/86/33/66/652863366.db2.gz VLUWYHLNKIYQRW-UXEPBGEESA-N 1 0 390.311 2.435 20 0 GEADRO CSCCCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766075996 652865243 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C[NH+]1CCC(O)(CNC(=O)NCc2c(Cl)cccc2OC(F)F)CC1 ZINC000637733239 652871920 /nfs/dbraw/zinc/87/19/20/652871920.db2.gz SKOOYAOUEOODDF-UHFFFAOYSA-N 1 0 377.819 2.197 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000673601789 652872451 /nfs/dbraw/zinc/87/24/51/652872451.db2.gz NHCMKFODRLYRPP-SNVBAGLBSA-N 1 0 381.311 2.437 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000673608443 652872847 /nfs/dbraw/zinc/87/28/47/652872847.db2.gz FDCZPUBIICOCCW-UHEGKEBESA-N 1 0 379.295 2.189 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000673645972 652873849 /nfs/dbraw/zinc/87/38/49/652873849.db2.gz PYEIWFCVTWRJOB-RYUDHWBXSA-N 1 0 375.357 2.213 20 0 GEADRO [NH3+]CC1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 ZINC000637804513 652873798 /nfs/dbraw/zinc/87/37/98/652873798.db2.gz QGUJFZPIWBLSNR-INIZCTEOSA-N 1 0 394.313 2.137 20 0 GEADRO NS(=O)(=O)c1ccc(C[N@H+](CCO)C2CCCCC2)cc1Br ZINC000637812461 652874390 /nfs/dbraw/zinc/87/43/90/652874390.db2.gz SVBSCFVKPFWXCF-UHFFFAOYSA-N 1 0 391.331 2.224 20 0 GEADRO Cc1nc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)s2)cs1 ZINC000637820582 652874817 /nfs/dbraw/zinc/87/48/17/652874817.db2.gz DUKNPPPRTMHDLQ-GFCCVEGCSA-N 1 0 378.523 2.107 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CCC(C)C)s1 ZINC000637899802 652877173 /nfs/dbraw/zinc/87/71/73/652877173.db2.gz SGONTCMXFHBTKC-CQSZACIVSA-N 1 0 375.560 2.158 20 0 GEADRO C[C@@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)c1cc2c(cc1Br)OCCO2 ZINC000637935892 652878262 /nfs/dbraw/zinc/87/82/62/652878262.db2.gz BXSAKRHHNOPGCD-PIGZYNQJSA-N 1 0 399.285 2.153 20 0 GEADRO [NH3+]C[C@@]1(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CCCOC1 ZINC000637949434 652878638 /nfs/dbraw/zinc/87/86/38/652878638.db2.gz WGJDYIROCJONBU-RDJZCZTQSA-N 1 0 383.286 2.105 20 0 GEADRO CN(CCOCC[NH3+])C(=O)Nc1cc(I)ccc1Cl ZINC000599600761 652879204 /nfs/dbraw/zinc/87/92/04/652879204.db2.gz CFGVOYRQMNTUKY-UHFFFAOYSA-N 1 0 397.644 2.384 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(I)cc1C ZINC000599596154 652879240 /nfs/dbraw/zinc/87/92/40/652879240.db2.gz NYYYDUQABSTQKM-UHFFFAOYSA-N 1 0 391.253 2.299 20 0 GEADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)C1 ZINC000637964291 652879276 /nfs/dbraw/zinc/87/92/76/652879276.db2.gz IPRDJQGTHKVFED-BDJLRTHQSA-N 1 0 381.889 2.325 20 0 GEADRO C[C@@]1(C(=O)NCc2cc(Br)ccc2OC(F)F)C[NH2+]CCO1 ZINC000637970822 652879675 /nfs/dbraw/zinc/87/96/75/652879675.db2.gz INHXXIMMCXRMTO-AWEZNQCLSA-N 1 0 379.201 2.045 20 0 GEADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NCCOCCC[NH3+] ZINC000599603871 652880045 /nfs/dbraw/zinc/88/00/45/652880045.db2.gz WLCNLOZXJLHMOC-UHFFFAOYSA-N 1 0 388.262 2.113 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]([NH3+])CCC(C)C)s1 ZINC000637979013 652880307 /nfs/dbraw/zinc/88/03/07/652880307.db2.gz CFKDJXARWQZRHQ-HNNXBMFYSA-N 1 0 389.587 2.201 20 0 GEADRO C[C@@]1(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C[NH2+]CCO1 ZINC000638016045 652881485 /nfs/dbraw/zinc/88/14/85/652881485.db2.gz WBCOEQKVLVMJCZ-KRWDZBQOSA-N 1 0 393.285 2.205 20 0 GEADRO COC(=O)[C@@H]1CCN(Cc2ccc(S(=O)(=O)N(C)C)s2)[C@@H]2CCC[C@H]21 ZINC000599651666 652881814 /nfs/dbraw/zinc/88/18/14/652881814.db2.gz ZTFUORBTNLGFQD-RRFJBIMHSA-N 1 0 386.539 2.162 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000674073959 652882368 /nfs/dbraw/zinc/88/23/68/652882368.db2.gz FTNUQAGPOZJNIY-UHFFFAOYSA-N 1 0 379.320 2.420 20 0 GEADRO O=C(CCC1C[NH2+]C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000638050584 652882734 /nfs/dbraw/zinc/88/27/34/652882734.db2.gz YRTXRBFAFYPQHG-UHFFFAOYSA-N 1 0 376.810 2.402 20 0 GEADRO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638242249 652884259 /nfs/dbraw/zinc/88/42/59/652884259.db2.gz VUVPDFKEGHDGEX-ZIFCJYIRSA-N 1 0 392.341 2.233 20 0 GEADRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1ccc(S(N)(=O)=O)o1 ZINC000638243140 652884269 /nfs/dbraw/zinc/88/42/69/652884269.db2.gz YSJFKBQSEQGZEM-UHFFFAOYSA-N 1 0 381.523 2.396 20 0 GEADRO C[C@]1(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C[NH2+]CCO1 ZINC000638292477 652885443 /nfs/dbraw/zinc/88/54/43/652885443.db2.gz GEJTZFFAUZBRFC-GOSISDBHSA-N 1 0 386.323 2.453 20 0 GEADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cnn3cc(Br)cnc23)C[C@@H](C)O1 ZINC000638319969 652885906 /nfs/dbraw/zinc/88/59/06/652885906.db2.gz VDPMUORFPDEPEB-CHWSQXEVSA-N 1 0 396.333 2.469 20 0 GEADRO Cc1cc(Br)c(F)c(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000638339273 652886496 /nfs/dbraw/zinc/88/64/96/652886496.db2.gz FPBCVGWNJYNXKK-LBPRGKRZSA-N 1 0 396.264 2.424 20 0 GEADRO [NH3+]C1(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CCCC1 ZINC000638411586 652888684 /nfs/dbraw/zinc/88/86/84/652888684.db2.gz PBCKIACQCQPEMO-OAHLLOKOSA-N 1 0 394.313 2.328 20 0 GEADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3snnc3C)CC2)cc1 ZINC000638447807 652889704 /nfs/dbraw/zinc/88/97/04/652889704.db2.gz JPUYOJAJTRMXSR-UHFFFAOYSA-N 1 0 380.539 2.399 20 0 GEADRO O=S(=O)(NC[C@@H]1CCCO1)c1ccc(C[NH2+]CC2CCSCC2)cc1 ZINC000638438941 652889945 /nfs/dbraw/zinc/88/99/45/652889945.db2.gz NLGRJCWAVREURN-KRWDZBQOSA-N 1 0 384.567 2.377 20 0 GEADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638501415 652891304 /nfs/dbraw/zinc/89/13/04/652891304.db2.gz UVNOUIFKERMPLF-CQSZACIVSA-N 1 0 398.276 2.109 20 0 GEADRO Cc1c(C(=O)N[C@H]2CC[NH2+]C23CCC3)nnn1-c1cccc(Br)c1 ZINC000638503681 652891913 /nfs/dbraw/zinc/89/19/13/652891913.db2.gz KXGKSKTZSZYJFO-AWEZNQCLSA-N 1 0 390.285 2.353 20 0 GEADRO O=C(Nc1ccc(Br)nc1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000766699196 652892987 /nfs/dbraw/zinc/89/29/87/652892987.db2.gz JEPKIYMTSLJQQO-QGZVFWFLSA-N 1 0 376.254 2.420 20 0 GEADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC1([NH3+])CCOCC1 ZINC000638539581 652893262 /nfs/dbraw/zinc/89/32/62/652893262.db2.gz RSOBTBYUGZUVIQ-OAHLLOKOSA-N 1 0 399.329 2.268 20 0 GEADRO [NH3+]C1(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CCOCC1 ZINC000638541331 652893404 /nfs/dbraw/zinc/89/34/04/652893404.db2.gz SKVSVAMIGHYFSO-UHFFFAOYSA-N 1 0 380.798 2.180 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1cccs1 ZINC000638547541 652893963 /nfs/dbraw/zinc/89/39/63/652893963.db2.gz HBTRKYYISBTMPI-JHJVBQTASA-N 1 0 377.432 2.301 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000638560924 652894948 /nfs/dbraw/zinc/89/49/48/652894948.db2.gz OTRVDFPXRBWJME-IIYDPXPESA-N 1 0 398.301 2.001 20 0 GEADRO C[NH2+]CCOCCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000638575703 652895964 /nfs/dbraw/zinc/89/59/64/652895964.db2.gz RCFXESDASIBAPV-UHFFFAOYSA-N 1 0 394.107 2.106 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000638590914 652896374 /nfs/dbraw/zinc/89/63/74/652896374.db2.gz VRPVCNRHRJNSSF-UHFFFAOYSA-N 1 0 395.301 2.251 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000638587821 652896377 /nfs/dbraw/zinc/89/63/77/652896377.db2.gz BOYDCJFZKRQYAK-NSHDSACASA-N 1 0 377.254 2.050 20 0 GEADRO Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638594991 652896816 /nfs/dbraw/zinc/89/68/16/652896816.db2.gz CZSAFGGHLQWNIN-CQSZACIVSA-N 1 0 392.253 2.345 20 0 GEADRO O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596797 652897737 /nfs/dbraw/zinc/89/77/37/652897737.db2.gz TVHCADNVNIWNCW-MRXNPFEDSA-N 1 0 394.313 2.450 20 0 GEADRO O=C(NCCC[NH2+]Cc1cnn2cc(Br)cnc12)c1cccs1 ZINC000638598260 652898143 /nfs/dbraw/zinc/89/81/43/652898143.db2.gz NSTBPCVGTBPIPU-UHFFFAOYSA-N 1 0 394.298 2.463 20 0 GEADRO O=C(CCc1ncc(-c2ccccc2Br)o1)NC[C@@H]1COCC[NH2+]1 ZINC000638619688 652899141 /nfs/dbraw/zinc/89/91/41/652899141.db2.gz WNQHYUFHKLYFDR-GFCCVEGCSA-N 1 0 394.269 2.141 20 0 GEADRO COC[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000674470135 652899687 /nfs/dbraw/zinc/89/96/87/652899687.db2.gz NQDSXYQXKWSYMJ-HNNXBMFYSA-N 1 0 385.302 2.397 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000638654329 652901564 /nfs/dbraw/zinc/90/15/64/652901564.db2.gz DOHSSIPJNXHDQW-KNXALSJPSA-N 1 0 382.302 2.273 20 0 GEADRO Brc1cnc2c(CNC3CC[NH+](C[C@@H]4CCOC4)CC3)cnn2c1 ZINC000638669610 652902116 /nfs/dbraw/zinc/90/21/16/652902116.db2.gz 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[NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000638948240 652914698 /nfs/dbraw/zinc/91/46/98/652914698.db2.gz RWYXBDWHXCXVNH-NOLJZWGESA-N 1 0 394.313 2.436 20 0 GEADRO CC(C)Oc1cc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)ccc1Br ZINC000638974119 652915162 /nfs/dbraw/zinc/91/51/62/652915162.db2.gz OHRSJNGPHWEKGJ-HNNXBMFYSA-N 1 0 386.290 2.274 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CC[C@H]([NH3+])CC3)s2)CC1 ZINC000639031273 652916275 /nfs/dbraw/zinc/91/62/75/652916275.db2.gz RIEAMFOBCGUDLS-HDJSIYSDSA-N 1 0 385.555 2.168 20 0 GEADRO O=C(Nc1ncc(Br)s1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000639033543 652916599 /nfs/dbraw/zinc/91/65/99/652916599.db2.gz SSWGTNKELCSXHQ-RXMQYKEDSA-N 1 0 393.217 2.221 20 0 GEADRO Brc1cnc2c(C[N@@H+]3CCOCC4(CCOCC4)C3)cnn2c1 ZINC000639040795 652917167 /nfs/dbraw/zinc/91/71/67/652917167.db2.gz NNGRJVQDZXQKOC-UHFFFAOYSA-N 1 0 381.274 2.121 20 0 GEADRO CCN(CCO)CC[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639055222 652918183 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GEADRO Brc1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc2c1OCO2 ZINC000675333494 652922987 /nfs/dbraw/zinc/92/29/87/652922987.db2.gz HTWJXVGPTVOSNM-CQSZACIVSA-N 1 0 383.286 2.474 20 0 GEADRO CCn1ncnc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000639238462 652927282 /nfs/dbraw/zinc/92/72/82/652927282.db2.gz UPZUJDHBEYYBDA-LBPRGKRZSA-N 1 0 383.290 2.010 20 0 GEADRO C[NH2+]CCOCCN(C)Cc1c(F)ccc(I)c1F ZINC000600778491 652933707 /nfs/dbraw/zinc/93/37/07/652933707.db2.gz ZYMSWUYWALOCMK-UHFFFAOYSA-N 1 0 384.208 2.237 20 0 GEADRO CN1CC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C[C@H]1c1ccc(Br)cc1 ZINC000639355356 652933943 /nfs/dbraw/zinc/93/39/43/652933943.db2.gz SWSYYCGOGDKPRV-KURKYZTESA-N 1 0 382.346 2.241 20 0 GEADRO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639553071 652941212 /nfs/dbraw/zinc/94/12/12/652941212.db2.gz BZWQZBACKRCVNX-AWEZNQCLSA-N 1 0 378.296 2.080 20 0 GEADRO C[C@](O)(C[C@@H](O)C[N@H+](CCO)Cc1cc(Br)cs1)C1CC1 ZINC000639632861 652945076 /nfs/dbraw/zinc/94/50/76/652945076.db2.gz IYKJMVUXKRUIQG-HIFRSBDPSA-N 1 0 378.332 2.217 20 0 GEADRO Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000675886570 652946555 /nfs/dbraw/zinc/94/65/55/652946555.db2.gz SODHSYUVZAVZTL-PKOBYXMFSA-N 1 0 394.357 2.433 20 0 GEADRO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000639659805 652946856 /nfs/dbraw/zinc/94/68/56/652946856.db2.gz PKGPTOHFGABQSX-OIISXLGYSA-N 1 0 375.296 2.138 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000600985075 652947381 /nfs/dbraw/zinc/94/73/81/652947381.db2.gz GPNNHUYFMRRZNS-MRXNPFEDSA-N 1 0 394.313 2.218 20 0 GEADRO CN1C(=O)NCC12CC[NH+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)CC2 ZINC000639677544 652948343 /nfs/dbraw/zinc/94/83/43/652948343.db2.gz CCUHUMMZXOLXIQ-AWEZNQCLSA-N 1 0 388.295 2.223 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000639761569 652952182 /nfs/dbraw/zinc/95/21/82/652952182.db2.gz NKCYKUAADNJSQE-QGZVFWFLSA-N 1 0 384.318 2.166 20 0 GEADRO COc1ccc(CN2CCC[C@](O)(C[NH+](C)C)C2)c(Br)c1OC ZINC000639765296 652952508 /nfs/dbraw/zinc/95/25/08/652952508.db2.gz YCMYUYQZTZIENB-KRWDZBQOSA-N 1 0 387.318 2.355 20 0 GEADRO O=C(C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1ccc(Br)cn1 ZINC000639767865 652952602 /nfs/dbraw/zinc/95/26/02/652952602.db2.gz OUQGAAJDCIQCLR-CJNGLKHVSA-N 1 0 398.301 2.082 20 0 GEADRO FC(F)(F)c1cnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(I)c1 ZINC000601106006 652954715 /nfs/dbraw/zinc/95/47/15/652954715.db2.gz JYJVGKPDXBSAKM-HTQZYQBOSA-N 1 0 383.155 2.361 20 0 GEADRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C ZINC000601116059 652955060 /nfs/dbraw/zinc/95/50/60/652955060.db2.gz NIXJNMQIHZRMCB-INIZCTEOSA-N 1 0 376.906 2.445 20 0 GEADRO CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)n1 ZINC000639778104 652955470 /nfs/dbraw/zinc/95/54/70/652955470.db2.gz ZTMJFOBTQNZSOU-CYBMUJFWSA-N 1 0 395.305 2.281 20 0 GEADRO C[C@@H]1CN(CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)C[C@H](C)O1 ZINC000639776344 652955498 /nfs/dbraw/zinc/95/54/98/652955498.db2.gz MAVZTLWCWDEODF-IJEWVQPXSA-N 1 0 384.318 2.406 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000639787891 652956060 /nfs/dbraw/zinc/95/60/60/652956060.db2.gz ZQMVIHQENDJFTB-UHFFFAOYSA-N 1 0 385.306 2.486 20 0 GEADRO Nc1nnc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)o1 ZINC000639820080 652957078 /nfs/dbraw/zinc/95/70/78/652957078.db2.gz MXUHHGJGGCHWDJ-ZWNOBZJWSA-N 1 0 387.267 2.578 20 0 GEADRO Nc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(Br)cc3)C2)o1 ZINC000639822721 652957633 /nfs/dbraw/zinc/95/76/33/652957633.db2.gz WSTUFUNVENTWPY-LLVKDONJSA-N 1 0 394.273 2.623 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000601300474 653085612 /nfs/dbraw/zinc/08/56/12/653085612.db2.gz ZVBMCXFOAWFRHE-MWODSPESSA-N 1 0 387.249 2.231 20 0 GEADRO Nc1nnc([C@H]2CCC[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)o1 ZINC000639824178 653085938 /nfs/dbraw/zinc/08/59/38/653085938.db2.gz GWCKLTBKUVKARL-WDEREUQCSA-N 1 0 387.267 2.578 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000601351291 653087851 /nfs/dbraw/zinc/08/78/51/653087851.db2.gz CLRPBFFHIBACMP-GFCCVEGCSA-N 1 0 380.491 2.169 20 0 GEADRO COC(=O)C1(CS(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000601356030 653088165 /nfs/dbraw/zinc/08/81/65/653088165.db2.gz DWATUHKWWVGTOU-UKRRQHHQSA-N 1 0 386.539 2.004 20 0 GEADRO C[C@]12C[NH+](Cc3cc(Br)cc4cccnc43)C[C@]1(C)C(=O)NC2=O ZINC000639954454 653089821 /nfs/dbraw/zinc/08/98/21/653089821.db2.gz SGMUMWKHLKSASF-QZTJIDSGSA-N 1 0 388.265 2.482 20 0 GEADRO COc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ncc1Br ZINC000639961622 653090010 /nfs/dbraw/zinc/09/00/10/653090010.db2.gz WHDYIIMPNIKUHB-GFCCVEGCSA-N 1 0 399.289 2.228 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000767915283 653095602 /nfs/dbraw/zinc/09/56/02/653095602.db2.gz RLARGZKSAWFZLZ-UHFFFAOYSA-N 1 0 391.697 2.418 20 0 GEADRO COc1cccc(SCCN2CCc3c(cccc3S(N)(=O)=O)C2)c1 ZINC000640160293 653097718 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GEADRO CN(Cc1cc(Br)cs1)C(=O)Cn1cc(CCCC[NH3+])nn1 ZINC000640978906 653147839 /nfs/dbraw/zinc/14/78/39/653147839.db2.gz BISZLHJYQFTICY-UHFFFAOYSA-N 1 0 386.319 2.042 20 0 GEADRO COc1ccc(Cn2cc([C@H]([NH3+])[C@H]3CCCO3)nn2)c(Br)c1OC ZINC000640988705 653148911 /nfs/dbraw/zinc/14/89/11/653148911.db2.gz CXTNFXPKMLMSQW-DOMZBBRYSA-N 1 0 397.273 2.285 20 0 GEADRO COc1ccc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c(Br)c1OC ZINC000640989626 653149223 /nfs/dbraw/zinc/14/92/23/653149223.db2.gz MLBDMLOQJKXGQY-LLVKDONJSA-N 1 0 381.274 2.258 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cnc(Cl)n1C ZINC000769428571 653156275 /nfs/dbraw/zinc/15/62/75/653156275.db2.gz OHCHDXWXVWTWCX-ZFWWWQNUSA-N 1 0 382.917 2.262 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cnc(Cl)n1C ZINC000769428568 653156321 /nfs/dbraw/zinc/15/63/21/653156321.db2.gz OHCHDXWXVWTWCX-DZGCQCFKSA-N 1 0 382.917 2.262 20 0 GEADRO O=C1[C@H](n2cc(C[NH2+]C3CC3)nn2)CCN1c1cccc(Br)c1 ZINC000641104665 653156590 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COC[C@H]([NH3+])Cc1cn(Cc2ccc(Br)c3cccnc23)nn1 ZINC000641157742 653163530 /nfs/dbraw/zinc/16/35/30/653163530.db2.gz XVOSXCFNZOFQJV-GFCCVEGCSA-N 1 0 376.258 2.153 20 0 GEADRO [NH3+][C@H](c1cn(CCOc2cc(F)cc(Br)c2)nn1)[C@@H]1CCCO1 ZINC000641178025 653166676 /nfs/dbraw/zinc/16/66/76/653166676.db2.gz UKQQERLJZYICRJ-LSDHHAIUSA-N 1 0 385.237 2.438 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000680831488 653169910 /nfs/dbraw/zinc/16/99/10/653169910.db2.gz BZDOULRRQWPTLI-CYBMUJFWSA-N 1 0 380.645 2.430 20 0 GEADRO CC(C)OCC[C@@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641229718 653171721 /nfs/dbraw/zinc/17/17/21/653171721.db2.gz UDQSVBUFGCNTPS-GDBMZVCRSA-N 1 0 383.290 2.265 20 0 GEADRO COC[C@H](CS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)OC ZINC000641256382 653173061 /nfs/dbraw/zinc/17/30/61/653173061.db2.gz ROFYGAXDMFHAGI-HZPDHXFCSA-N 1 0 390.571 2.102 20 0 GEADRO COc1cc(CS(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)sn1 ZINC000641255966 653173096 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C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000773034389 653176770 /nfs/dbraw/zinc/17/67/70/653176770.db2.gz ATPUAAJHLRZMMU-ZUZCIYMTSA-N 1 0 381.325 2.429 20 0 GEADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)cc1 ZINC000641282463 653177940 /nfs/dbraw/zinc/17/79/40/653177940.db2.gz BXAKGELCXUCEQU-OAHLLOKOSA-N 1 0 376.469 2.338 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(Cl)cc1 ZINC000769802988 653178248 /nfs/dbraw/zinc/17/82/48/653178248.db2.gz XMVJYPQVRJCLNV-QZTJIDSGSA-N 1 0 386.945 2.347 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)ccc1S(=O)(=O)C(F)F ZINC000773064027 653178908 /nfs/dbraw/zinc/17/89/08/653178908.db2.gz LTFUOMZKFPHOOM-LYSPQLLHSA-N 1 0 383.482 2.499 20 0 GEADRO C[S@](=O)C1(C(=O)NCCc2nc3cc(Cl)ccc3s2)CC[NH2+]CC1 ZINC000602441537 653181303 /nfs/dbraw/zinc/18/13/03/653181303.db2.gz OXPBNQRZQFXXRU-DEOSSOPVSA-N 1 0 385.942 2.109 20 0 GEADRO C[S@@](=O)C1(C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000602448569 653181948 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COC(=O)c1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)on1 ZINC000602531403 653188917 /nfs/dbraw/zinc/18/89/17/653188917.db2.gz HVVGTHLDLKZHCU-UHFFFAOYSA-N 1 0 396.241 2.133 20 0 GEADRO COc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)c(I)c1 ZINC000602531807 653188945 /nfs/dbraw/zinc/18/89/45/653188945.db2.gz KUTDZLWIZTXOMI-CYBMUJFWSA-N 1 0 386.233 2.314 20 0 GEADRO CCN(CC[NH3+])C(=O)c1ccc(I)c(Br)c1 ZINC000602535097 653189007 /nfs/dbraw/zinc/18/90/07/653189007.db2.gz MXRYGNMRUWADHO-UHFFFAOYSA-N 1 0 397.054 2.475 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nccn3c(Br)cnc23)C[C@H]1C ZINC000769912704 653189958 /nfs/dbraw/zinc/18/99/58/653189958.db2.gz WZNRLNXQAQJZKR-VXGBXAGGSA-N 1 0 380.290 2.437 20 0 GEADRO COC(=O)[C@]1(NC(=O)CC(C)(C)[NH3+])CCc2cc(Br)ccc2C1 ZINC000602544359 653190061 /nfs/dbraw/zinc/19/00/61/653190061.db2.gz QMBLZLWBSNXXCI-KRWDZBQOSA-N 1 0 383.286 2.093 20 0 GEADRO COC(=O)[C@@]1(NC(=O)C2=CC[C@H]([NH3+])C2)CCc2cc(Br)ccc2C1 ZINC000602545828 653190222 /nfs/dbraw/zinc/19/02/22/653190222.db2.gz XJKYPLNFWNXVMX-MAUKXSAKSA-N 1 0 393.281 2.013 20 0 GEADRO Cc1cc2c(cc1C)[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)CCS2 ZINC000681738469 653190379 /nfs/dbraw/zinc/19/03/79/653190379.db2.gz LMSNBYBREDCMBB-QGZVFWFLSA-N 1 0 383.583 2.007 20 0 GEADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ncc(Br)cc1F ZINC000681740505 653190395 /nfs/dbraw/zinc/19/03/95/653190395.db2.gz VDDUCCBMYAOLLY-JTQLQIEISA-N 1 0 380.283 2.059 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000681740137 653190511 /nfs/dbraw/zinc/19/05/11/653190511.db2.gz RBZSGYSWFXKMKM-AWEZNQCLSA-N 1 0 377.432 2.493 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000807354577 653190717 /nfs/dbraw/zinc/19/07/17/653190717.db2.gz LUZCMGTXVUMQRJ-CHWSQXEVSA-N 1 0 395.301 2.176 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)nc1Br ZINC000807354164 653190809 /nfs/dbraw/zinc/19/08/09/653190809.db2.gz GMICRQBIQFXRDA-STQMWFEESA-N 1 0 395.301 2.176 20 0 GEADRO COC(=O)c1[nH]c(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1C ZINC000602569594 653191785 /nfs/dbraw/zinc/19/17/85/653191785.db2.gz BKPCQKUFRMTHQY-ZDUSSCGKSA-N 1 0 397.269 2.402 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1C ZINC000807394236 653192592 /nfs/dbraw/zinc/19/25/92/653192592.db2.gz FFACYLAQBFQSKZ-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO COC(=O)C[C@@]1([NH2+]Cc2ccc(I)s2)CCOC1 ZINC000602610114 653194461 /nfs/dbraw/zinc/19/44/61/653194461.db2.gz FYBGZVRCEGEEIU-LBPRGKRZSA-N 1 0 381.235 2.165 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)on1 ZINC000602635424 653196717 /nfs/dbraw/zinc/19/67/17/653196717.db2.gz DMHCWIUXQGCXBH-LBPRGKRZSA-N 1 0 383.242 2.165 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)on1 ZINC000602639554 653196913 /nfs/dbraw/zinc/19/69/13/653196913.db2.gz UHMUIMRUHNGUGF-LLVKDONJSA-N 1 0 383.242 2.165 20 0 GEADRO FC(F)(F)c1ncnc(N2CC[C@@H](CN3CCOCC3)C2)c1Br ZINC000641398207 653198391 /nfs/dbraw/zinc/19/83/91/653198391.db2.gz DETYYPFCMRICEP-JTQLQIEISA-N 1 0 395.223 2.416 20 0 GEADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cc(C(=O)OC)cs2)CC1 ZINC000602665766 653199464 /nfs/dbraw/zinc/19/94/64/653199464.db2.gz VCMPGVMDZNTOPP-ZDUSSCGKSA-N 1 0 388.555 2.417 20 0 GEADRO CC1(C)CN(C(=O)CCOc2ccccc2Br)CC[N@@H+]1CCO ZINC000682008626 653203023 /nfs/dbraw/zinc/20/30/23/653203023.db2.gz LTKBQTYFNJOCKN-UHFFFAOYSA-N 1 0 385.302 2.133 20 0 GEADRO O=C(/C=C\c1cc(Br)ccc1F)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000773534026 653204464 /nfs/dbraw/zinc/20/44/64/653204464.db2.gz RLZIOBGUBJDTMT-ZSQCLPQSSA-N 1 0 382.277 2.108 20 0 GEADRO C[C@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000641443388 653206572 /nfs/dbraw/zinc/20/65/72/653206572.db2.gz UHXDMTKLOIXNQM-NSHDSACASA-N 1 0 383.290 2.156 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(OC)cc1Br ZINC000682271548 653207213 /nfs/dbraw/zinc/20/72/13/653207213.db2.gz AUNUORPABIILGU-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000770435711 653212099 /nfs/dbraw/zinc/21/20/99/653212099.db2.gz QJWUTNMKHKUNPD-FJXFWJLJSA-N 1 0 390.311 2.434 20 0 GEADRO O=S(=O)(CCn1ccnc1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000641490609 653212987 /nfs/dbraw/zinc/21/29/87/653212987.db2.gz HHWMSGIYMWPPGB-AWEZNQCLSA-N 1 0 378.281 2.233 20 0 GEADRO C[C@H]([NH3+])CNC(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000641492929 653213550 /nfs/dbraw/zinc/21/35/50/653213550.db2.gz ITHGAVLTDLIUQN-NSHDSACASA-N 1 0 388.306 2.087 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682493319 653214772 /nfs/dbraw/zinc/21/47/72/653214772.db2.gz BTUWUQGVFJGARX-LBPRGKRZSA-N 1 0 388.737 2.397 20 0 GEADRO O=C(c1cccnc1I)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000770488612 653214945 /nfs/dbraw/zinc/21/49/45/653214945.db2.gz KUWWHZDTEAVFOV-LBPRGKRZSA-N 1 0 385.249 2.387 20 0 GEADRO C[C@]12C[N@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC000602937141 653216117 /nfs/dbraw/zinc/21/61/17/653216117.db2.gz RAFJZHZBBWHTBW-JRLRZGBRSA-N 1 0 389.304 2.086 20 0 GEADRO COC(=O)c1nn(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(C)c1Br ZINC000808190358 653221487 /nfs/dbraw/zinc/22/14/87/653221487.db2.gz FQOKDFBNMUDOES-YPMHNXCESA-N 1 0 385.306 2.257 20 0 GEADRO COC(=O)C[C@]1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCOC1 ZINC000770702463 653221595 /nfs/dbraw/zinc/22/15/95/653221595.db2.gz ZDFDWAJANAQEMT-SJKOYZFVSA-N 1 0 392.279 2.435 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000774090069 653223716 /nfs/dbraw/zinc/22/37/16/653223716.db2.gz HTBFYGLQSKRBDR-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000774099113 653224467 /nfs/dbraw/zinc/22/44/67/653224467.db2.gz GDLSVKQRZUGHMQ-RYUDHWBXSA-N 1 0 397.317 2.470 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000774163229 653227233 /nfs/dbraw/zinc/22/72/33/653227233.db2.gz DYOJFGKEJKKLNC-YPMHNXCESA-N 1 0 397.317 2.328 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000641646720 653227492 /nfs/dbraw/zinc/22/74/92/653227492.db2.gz CALDGFLGZZTVCY-UHFFFAOYSA-N 1 0 380.341 2.299 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000683173991 653229280 /nfs/dbraw/zinc/22/92/80/653229280.db2.gz UWWDVYOJPIUNRE-CVEARBPZSA-N 1 0 394.313 2.151 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000683184872 653230089 /nfs/dbraw/zinc/23/00/89/653230089.db2.gz DSRLHBBLQAKPBS-VXGBXAGGSA-N 1 0 383.258 2.488 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1cccnc1Br)C1CCCCC1 ZINC000774239406 653230558 /nfs/dbraw/zinc/23/05/58/653230558.db2.gz DGIMWERKCFCCNO-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnc(Br)cc1C ZINC000774249910 653230969 /nfs/dbraw/zinc/23/09/69/653230969.db2.gz FTFVXBWNRKMVOS-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO COC1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000683201412 653231287 /nfs/dbraw/zinc/23/12/87/653231287.db2.gz BXYTYHIBKYAGPE-UHFFFAOYSA-N 1 0 381.274 2.315 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1Cl ZINC000683210387 653231541 /nfs/dbraw/zinc/23/15/41/653231541.db2.gz QTKWNGBHRGOZMK-CQSZACIVSA-N 1 0 385.917 2.027 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(Br)c3F)CC2)C1 ZINC000683242725 653232280 /nfs/dbraw/zinc/23/22/80/653232280.db2.gz NHKRLPXTMSJSJT-ZDUSSCGKSA-N 1 0 384.293 2.440 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)cn1 ZINC000641786426 653234017 /nfs/dbraw/zinc/23/40/17/653234017.db2.gz QJCUYYWKHOEPKR-NVXWUHKLSA-N 1 0 397.361 2.291 20 0 GEADRO C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)[C@H]1C ZINC000641809728 653234337 /nfs/dbraw/zinc/23/43/37/653234337.db2.gz UQASIOBDOKPCBK-FRRDWIJNSA-N 1 0 387.933 2.130 20 0 GEADRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]1C ZINC000641809095 653234375 /nfs/dbraw/zinc/23/43/75/653234375.db2.gz PMGHWEGQLJZQEP-XUJVJEKNSA-N 1 0 379.302 2.405 20 0 GEADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2c(C)nn(C)c2Cl)CC1 ZINC000808776599 653234939 /nfs/dbraw/zinc/23/49/39/653234939.db2.gz YAUVCBKYVVDIGM-CYBMUJFWSA-N 1 0 376.954 2.264 20 0 GEADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ncc(Br)s3)CC2)CC1 ZINC000683418671 653234982 /nfs/dbraw/zinc/23/49/82/653234982.db2.gz VSHKCDTUXQTFDK-TXEJJXNPSA-N 1 0 387.347 2.194 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000774467047 653238817 /nfs/dbraw/zinc/23/88/17/653238817.db2.gz YPUYVCNSJPPLAO-ZBEGNZNMSA-N 1 0 399.310 2.481 20 0 GEADRO Cn1ncc(Br)c1CN[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000683771849 653240987 /nfs/dbraw/zinc/24/09/87/653240987.db2.gz JTCRRYZOANHGOJ-GOSISDBHSA-N 1 0 393.329 2.299 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642327031 653242281 /nfs/dbraw/zinc/24/22/81/653242281.db2.gz KWAIQNOBICGVOP-BBRMVZONSA-N 1 0 396.329 2.145 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)NCCC[NH+]3CCCCC3)cc2N1 ZINC000642332108 653242489 /nfs/dbraw/zinc/24/24/89/653242489.db2.gz ICRPVPSGOYQSHY-UHFFFAOYSA-N 1 0 385.917 2.379 20 0 GEADRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000684003634 653249938 /nfs/dbraw/zinc/24/99/38/653249938.db2.gz YIKJRDCACBPCLI-KBPBESRZSA-N 1 0 377.312 2.386 20 0 GEADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=[NH2+])NOCc1ncc(Cl)s1 ZINC000774774388 653253623 /nfs/dbraw/zinc/25/36/23/653253623.db2.gz AFWROXCKYLGEOE-SECBINFHSA-N 1 0 376.866 2.431 20 0 GEADRO CCn1ncc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1Br ZINC000874077621 653259018 /nfs/dbraw/zinc/25/90/18/653259018.db2.gz XNWLQPHNWKQRGT-UHFFFAOYSA-N 1 0 392.301 2.455 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)ncc1Br ZINC000874096039 653262330 /nfs/dbraw/zinc/26/23/30/653262330.db2.gz ADEDUCPHBDYONW-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000874121169 653265602 /nfs/dbraw/zinc/26/56/02/653265602.db2.gz MDXUQFJNSUDYGO-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)NCC(F)(F)c1ccc(Br)cc1 ZINC000857007453 653272254 /nfs/dbraw/zinc/27/22/54/653272254.db2.gz LRAQMNWKCMBXEG-ZDUSSCGKSA-N 1 0 377.229 2.426 20 0 GEADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000774957347 653274712 /nfs/dbraw/zinc/27/47/12/653274712.db2.gz UTZWPOBPKSYYER-NEPJUHHUSA-N 1 0 390.336 2.311 20 0 GEADRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684552721 653276006 /nfs/dbraw/zinc/27/60/06/653276006.db2.gz JVETXMMLHVANNO-QWRGUYRKSA-N 1 0 397.324 2.345 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1Br ZINC000874168749 653277596 /nfs/dbraw/zinc/27/75/96/653277596.db2.gz GRQCKAYNTKHABU-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874168796 653278178 /nfs/dbraw/zinc/27/81/78/653278178.db2.gz HBYYLQSYFOLRSZ-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1Br ZINC000874171957 653278630 /nfs/dbraw/zinc/27/86/30/653278630.db2.gz WLPLYTNQVJMKCI-DOMZBBRYSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1Br ZINC000874176629 653280293 /nfs/dbraw/zinc/28/02/93/653280293.db2.gz VMRJZNLOVIASPF-YPMHNXCESA-N 1 0 398.276 2.388 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(Br)nc2n1CCOC2 ZINC000857125846 653287013 /nfs/dbraw/zinc/28/70/13/653287013.db2.gz XQQYUOCXNYXBMX-GFCCVEGCSA-N 1 0 385.306 2.170 20 0 GEADRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677070 653287336 /nfs/dbraw/zinc/28/73/36/653287336.db2.gz NXLIDZCAGWHADN-WZRBSPASSA-N 1 0 391.331 2.298 20 0 GEADRO COC[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)C ZINC000684677277 653287631 /nfs/dbraw/zinc/28/76/31/653287631.db2.gz UAMWSYHXSMMRBD-GXFFZTMASA-N 1 0 379.320 2.418 20 0 GEADRO CC(C)[NH+](CCCNC(=O)c1c(Br)nc2n1CCOC2)C(C)C ZINC000857144309 653289263 /nfs/dbraw/zinc/28/92/63/653289263.db2.gz YBEFEMRNXMZOJR-UHFFFAOYSA-N 1 0 387.322 2.415 20 0 GEADRO Cc1c(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)sc2nc(C)nc(C)c12 ZINC000809688277 653289554 /nfs/dbraw/zinc/28/95/54/653289554.db2.gz GHZUJKZPZCFFKD-CQSZACIVSA-N 1 0 382.555 2.472 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000857183219 653295114 /nfs/dbraw/zinc/29/51/14/653295114.db2.gz CWGJIPSTPJJCTB-AWEZNQCLSA-N 1 0 379.245 2.360 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775164151 653296748 /nfs/dbraw/zinc/29/67/48/653296748.db2.gz ONOOEBOPTXRPKV-AWEZNQCLSA-N 1 0 378.344 2.171 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000775166302 653297388 /nfs/dbraw/zinc/29/73/88/653297388.db2.gz WPIPGXUHGVFFIA-ILXRZTDVSA-N 1 0 390.355 2.409 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000874268080 653298832 /nfs/dbraw/zinc/29/88/32/653298832.db2.gz KLKRMYFPQCTESD-UHFFFAOYSA-N 1 0 380.388 2.269 20 0 GEADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000775172098 653300303 /nfs/dbraw/zinc/30/03/03/653300303.db2.gz YVRWMGRZWOHHBF-OAHLLOKOSA-N 1 0 390.355 2.411 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)ccc1Cl ZINC000685326296 653302651 /nfs/dbraw/zinc/30/26/51/653302651.db2.gz WRXHYNPLVDNKQT-DOMZBBRYSA-N 1 0 376.931 2.132 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(Br)cc1OC ZINC000685597083 653307205 /nfs/dbraw/zinc/30/72/05/653307205.db2.gz GUIRSOAZCBZJLW-UHFFFAOYSA-N 1 0 379.320 2.219 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000857323023 653309746 /nfs/dbraw/zinc/30/97/46/653309746.db2.gz YGDAKKOCQZPLCK-LBPRGKRZSA-N 1 0 385.917 2.124 20 0 GEADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000685622270 653309921 /nfs/dbraw/zinc/30/99/21/653309921.db2.gz NKPHYUGMBCGOPP-AWEZNQCLSA-N 1 0 378.274 2.177 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000685666245 653311350 /nfs/dbraw/zinc/31/13/50/653311350.db2.gz CQRWABJCKHBNOK-GJZGRUSLSA-N 1 0 391.331 2.150 20 0 GEADRO OCc1cn(CCC[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)nn1 ZINC000685657616 653311459 /nfs/dbraw/zinc/31/14/59/653311459.db2.gz HAYDNNUPAUQSPG-SJORKVTESA-N 1 0 395.301 2.433 20 0 GEADRO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809860849 653311471 /nfs/dbraw/zinc/31/14/71/653311471.db2.gz BQWAKYLJZYETFW-AWEZNQCLSA-N 1 0 377.551 2.034 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000809861088 653311523 /nfs/dbraw/zinc/31/15/23/653311523.db2.gz NKJNWSZILLUKKG-LBPRGKRZSA-N 1 0 375.922 2.049 20 0 GEADRO O=C(C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)N1CCN(c2ccccc2)CC1 ZINC000775380480 653311693 /nfs/dbraw/zinc/31/16/93/653311693.db2.gz JDUONMPXGMWAQV-AOIWGVFYSA-N 1 0 377.579 2.304 20 0 GEADRO O=S(=O)(N1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1)C(F)(F)F ZINC000775395217 653312583 /nfs/dbraw/zinc/31/25/83/653312583.db2.gz JYLILTPDRIHTIY-GRYCIOLGSA-N 1 0 390.518 2.270 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000775394153 653312848 /nfs/dbraw/zinc/31/28/48/653312848.db2.gz CTAIUKMXUFCRGR-MJBXVCDLSA-N 1 0 378.535 2.160 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874365182 653312908 /nfs/dbraw/zinc/31/29/08/653312908.db2.gz QHLJQYJZIDLIQG-GJZGRUSLSA-N 1 0 380.286 2.391 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874365183 653313280 /nfs/dbraw/zinc/31/32/80/653313280.db2.gz QHLJQYJZIDLIQG-HUUCEWRRSA-N 1 0 380.286 2.391 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000874432393 653318379 /nfs/dbraw/zinc/31/83/79/653318379.db2.gz JZVFJFCPJCLKPB-HUUCEWRRSA-N 1 0 395.301 2.232 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(C=O)c(Br)cc1OC ZINC000810032536 653318450 /nfs/dbraw/zinc/31/84/50/653318450.db2.gz XHJDIJNQXQDRFC-UHFFFAOYSA-N 1 0 394.287 2.321 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(Br)c(C=O)cc1OC ZINC000810043733 653318558 /nfs/dbraw/zinc/31/85/58/653318558.db2.gz DDOSBXXHEPSJRO-UHFFFAOYSA-N 1 0 394.287 2.321 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000810058678 653319812 /nfs/dbraw/zinc/31/98/12/653319812.db2.gz RAYQYLYOHGGOAW-LSDHHAIUSA-N 1 0 377.551 2.036 20 0 GEADRO COC(=O)[C@](C)(NC(=O)C1(C[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000874449879 653319929 /nfs/dbraw/zinc/31/99/29/653319929.db2.gz GLWANOSWDIEOTL-MRXNPFEDSA-N 1 0 383.286 2.295 20 0 GEADRO COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000775636049 653320235 /nfs/dbraw/zinc/32/02/35/653320235.db2.gz ADUIVNMATNMZJL-HIFRSBDPSA-N 1 0 378.238 2.179 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000703618515 653320862 /nfs/dbraw/zinc/32/08/62/653320862.db2.gz IMWZAWQECJWECZ-TVQRCGJNSA-N 1 0 379.707 2.333 20 0 GEADRO O=C(NC[C@H]1CCC[N@@H+](C[C@H](O)COCc2cccs2)C1)C(F)(F)F ZINC000810067770 653320876 /nfs/dbraw/zinc/32/08/76/653320876.db2.gz BFCRHLUMASAFPF-OLZOCXBDSA-N 1 0 380.432 2.016 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)nc1Br ZINC000836087274 653329547 /nfs/dbraw/zinc/32/95/47/653329547.db2.gz QKUIXYBMQJCQAU-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(Br)n1 ZINC000836089689 653329736 /nfs/dbraw/zinc/32/97/36/653329736.db2.gz PGAWQLWSYWHXTE-LBPRGKRZSA-N 1 0 383.290 2.032 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000836089777 653329912 /nfs/dbraw/zinc/32/99/12/653329912.db2.gz RVGSGVUWEFNLSM-GFCCVEGCSA-N 1 0 383.290 2.032 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)nc1 ZINC000810233471 653331884 /nfs/dbraw/zinc/33/18/84/653331884.db2.gz VZGHXNCIBZRNAY-PKWAYOAASA-N 1 0 381.274 2.215 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(Br)nc3n2CCOC3)C[C@H]1C ZINC000857711969 653334110 /nfs/dbraw/zinc/33/41/10/653334110.db2.gz DGWOFIHQODGLQK-NEPJUHHUSA-N 1 0 385.306 2.121 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ncc1Br ZINC000810337478 653334817 /nfs/dbraw/zinc/33/48/17/653334817.db2.gz QGOKMMBCMXXNOJ-JTQLQIEISA-N 1 0 376.682 2.338 20 0 GEADRO Cn1nnc(Br)c1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000810339744 653335002 /nfs/dbraw/zinc/33/50/02/653335002.db2.gz PCRDMILSDMMJPN-UHFFFAOYSA-N 1 0 378.274 2.468 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1csc(I)n1 ZINC000874824477 653337944 /nfs/dbraw/zinc/33/79/44/653337944.db2.gz FSJVVGICXAUQQU-UWVGGRQHSA-N 1 0 377.251 2.056 20 0 GEADRO COc1cc(Cl)ccc1NC(=O)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000810453672 653340595 /nfs/dbraw/zinc/34/05/95/653340595.db2.gz FDGZBAHBIOATNI-UHFFFAOYSA-N 1 0 385.917 2.231 20 0 GEADRO Cn1nnc(Br)c1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000810464751 653340909 /nfs/dbraw/zinc/34/09/09/653340909.db2.gz GCFOKNPTPSHFJX-LLVKDONJSA-N 1 0 386.681 2.264 20 0 GEADRO Cn1cc(C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)nn1 ZINC000857880117 653341417 /nfs/dbraw/zinc/34/14/17/653341417.db2.gz CGXPLEZNBLXOQW-CYBMUJFWSA-N 1 0 378.274 2.101 20 0 GEADRO COCCOCC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857883405 653341893 /nfs/dbraw/zinc/34/18/93/653341893.db2.gz SYEZOGKYRKYXIG-HNNXBMFYSA-N 1 0 385.302 2.322 20 0 GEADRO Cn1nncc1C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857881119 653341915 /nfs/dbraw/zinc/34/19/15/653341915.db2.gz QMZLFWPKOBEMFZ-ZDUSSCGKSA-N 1 0 378.274 2.101 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000810489538 653342103 /nfs/dbraw/zinc/34/21/03/653342103.db2.gz MDAGLZOXLCFCAR-GFCCVEGCSA-N 1 0 385.306 2.328 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000874983221 653344618 /nfs/dbraw/zinc/34/46/18/653344618.db2.gz LVXNRBDQNUYNIP-CZUORRHYSA-N 1 0 384.307 2.205 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000874983219 653344670 /nfs/dbraw/zinc/34/46/70/653344670.db2.gz LVXNRBDQNUYNIP-BBRMVZONSA-N 1 0 384.307 2.205 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c(Br)n1 ZINC000858086981 653347545 /nfs/dbraw/zinc/34/75/45/653347545.db2.gz HNFGFUGAQQNWII-ZDUSSCGKSA-N 1 0 385.331 2.407 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2ncc(Cl)s2)C1 ZINC000875065809 653349817 /nfs/dbraw/zinc/34/98/17/653349817.db2.gz ISCHVBAHHJHPHF-CHWSQXEVSA-N 1 0 386.949 2.287 20 0 GEADRO CCCCn1nc(C)c(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Cl ZINC000776499271 653351753 /nfs/dbraw/zinc/35/17/53/653351753.db2.gz UIKZUYDMBGOKIX-PBHICJAKSA-N 1 0 389.949 2.471 20 0 GEADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000858640620 653372772 /nfs/dbraw/zinc/37/27/72/653372772.db2.gz QURBBKYYBXNVAZ-ZETCQYMHSA-N 1 0 391.209 2.315 20 0 GEADRO Cn1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Br)n1 ZINC000858187976 653353828 /nfs/dbraw/zinc/35/38/28/653353828.db2.gz NVVBPMIQDDPOLL-MRXNPFEDSA-N 1 0 379.302 2.039 20 0 GEADRO C[C@]1(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1(Cl)Cl ZINC000836470561 653354709 /nfs/dbraw/zinc/35/47/09/653354709.db2.gz AZJMNHLIWVWGNB-INIZCTEOSA-N 1 0 393.359 2.252 20 0 GEADRO CCC[C@@H](C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)OCC ZINC000858212464 653354983 /nfs/dbraw/zinc/35/49/83/653354983.db2.gz NSJWBFZHHZTUOT-KBPBESRZSA-N 1 0 377.938 2.499 20 0 GEADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000858224830 653355410 /nfs/dbraw/zinc/35/54/10/653355410.db2.gz TWEJDZQFSNVPAH-ZDUSSCGKSA-N 1 0 397.342 2.488 20 0 GEADRO Cn1nc(Br)cc1CNc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000858234833 653356268 /nfs/dbraw/zinc/35/62/68/653356268.db2.gz UOSPQYAAJVJZLD-UHFFFAOYSA-N 1 0 380.290 2.086 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000875226881 653359660 /nfs/dbraw/zinc/35/96/60/653359660.db2.gz ZRZXWACQDLCLKG-RYUDHWBXSA-N 1 0 377.432 2.372 20 0 GEADRO O=C(NCc1ncc(Cl)s1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000875235098 653359671 /nfs/dbraw/zinc/35/96/71/653359671.db2.gz GZDOSESUJJHDRS-ZDUSSCGKSA-N 1 0 384.933 2.326 20 0 GEADRO O=C(c1ccc(Br)cc1)N1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858384980 653361967 /nfs/dbraw/zinc/36/19/67/653361967.db2.gz YHWSTGUJWNQGPT-UHFFFAOYSA-N 1 0 376.254 2.299 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC000858423408 653363466 /nfs/dbraw/zinc/36/34/66/653363466.db2.gz GHIOATJDDLIYBV-ARJAWSKDSA-N 1 0 375.416 2.013 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000858461660 653364711 /nfs/dbraw/zinc/36/47/11/653364711.db2.gz BUHQCHJYAVHHDW-UHFFFAOYSA-N 1 0 382.302 2.019 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1nc(Br)cs1 ZINC000858489629 653365868 /nfs/dbraw/zinc/36/58/68/653365868.db2.gz IUVYDYJGLRPLSC-VHSXEESVSA-N 1 0 394.302 2.273 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000836680848 653368636 /nfs/dbraw/zinc/36/86/36/653368636.db2.gz YVEXKZOIKDRWIR-NSHDSACASA-N 1 0 385.306 2.461 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000858612651 653369820 /nfs/dbraw/zinc/36/98/20/653369820.db2.gz YMEFORGMZXIIOV-VHRBIJSZSA-N 1 0 387.889 2.266 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1Cl ZINC000858615963 653370602 /nfs/dbraw/zinc/37/06/02/653370602.db2.gz JJHMBTVQJNTMGL-MNOVXSKESA-N 1 0 375.878 2.266 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000858619012 653371094 /nfs/dbraw/zinc/37/10/94/653371094.db2.gz IUVMEJTVWLMINC-LBPRGKRZSA-N 1 0 393.278 2.160 20 0 GEADRO O=C(Nc1nc(CC(F)(F)F)cs1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000836703090 653371619 /nfs/dbraw/zinc/37/16/19/653371619.db2.gz AIUVKOAAHHPDMI-NEPJUHHUSA-N 1 0 378.420 2.311 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c3nonc32)CC[C@@H]1C(F)(F)F ZINC000858623507 653371624 /nfs/dbraw/zinc/37/16/24/653371624.db2.gz KRVIAUKZIGOLPZ-SFYZADRCSA-N 1 0 398.794 2.024 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000858625736 653371931 /nfs/dbraw/zinc/37/19/31/653371931.db2.gz ZMNYKQOQHWQAEF-UONOGXRCSA-N 1 0 375.288 2.071 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(OC3CC3)cc2)CC[C@@H]1C(F)(F)F ZINC000858624284 653371978 /nfs/dbraw/zinc/37/19/78/653371978.db2.gz TUBJZEHJBLGTKX-ABAIWWIYSA-N 1 0 378.416 2.376 20 0 GEADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000858640618 653372757 /nfs/dbraw/zinc/37/27/57/653372757.db2.gz QURBBKYYBXNVAZ-SSDOTTSWSA-N 1 0 391.209 2.315 20 0 GEADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000858643984 653373306 /nfs/dbraw/zinc/37/33/06/653373306.db2.gz LMBXYMCSWSYGRM-GFCCVEGCSA-N 1 0 394.324 2.168 20 0 GEADRO CC[N@H+](CCNC(=O)NC[C@@H]1CC(C(F)(F)F)=NO1)CCC(F)(F)F ZINC000875530578 653375477 /nfs/dbraw/zinc/37/54/77/653375477.db2.gz RFPSCILMBNWIAH-VIFPVBQESA-N 1 0 378.317 2.267 20 0 GEADRO CN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)n1 ZINC000875561752 653377616 /nfs/dbraw/zinc/37/76/16/653377616.db2.gz SHBPOFQVXDBDNB-ZIAGYGMSSA-N 1 0 392.301 2.276 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1I ZINC000776812393 653378900 /nfs/dbraw/zinc/37/89/00/653378900.db2.gz IOSXRMHLUDLVBH-LSDHHAIUSA-N 1 0 391.249 2.201 20 0 GEADRO O=C(c1cc(Br)cnc1F)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000858858554 653380997 /nfs/dbraw/zinc/38/09/97/653380997.db2.gz KMSHQOFEYZATLO-CYBMUJFWSA-N 1 0 386.265 2.310 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1Cl ZINC000858872740 653381671 /nfs/dbraw/zinc/38/16/71/653381671.db2.gz CEFORALPEGDSON-UHFFFAOYSA-N 1 0 375.878 2.233 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccn1 ZINC000875681645 653383633 /nfs/dbraw/zinc/38/36/33/653383633.db2.gz GRDQRXJUNZFMCP-NSHDSACASA-N 1 0 387.278 2.238 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2c(Cl)nn(C)c2Cl)CC1 ZINC000858980591 653389875 /nfs/dbraw/zinc/38/98/75/653389875.db2.gz NBSLYOZMLFVAGM-BETUJISGSA-N 1 0 388.343 2.358 20 0 GEADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000777246579 653392087 /nfs/dbraw/zinc/39/20/87/653392087.db2.gz YXPLRGHUNYBGMD-XDNAFOTISA-N 1 0 380.579 2.330 20 0 GEADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c(Br)nnn1C)[NH+](C)C ZINC000811506305 653395033 /nfs/dbraw/zinc/39/50/33/653395033.db2.gz PNZJQZCRLGNCQC-WCQYABFASA-N 1 0 380.290 2.307 20 0 GEADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c(Br)nnn1C)[NH+](C)C ZINC000811506304 653395210 /nfs/dbraw/zinc/39/52/10/653395210.db2.gz PNZJQZCRLGNCQC-DGCLKSJQSA-N 1 0 380.290 2.307 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000811601763 653398937 /nfs/dbraw/zinc/39/89/37/653398937.db2.gz ZVAVUHDDBBJOKC-NSHDSACASA-N 1 0 391.331 2.311 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000777473866 653399036 /nfs/dbraw/zinc/39/90/36/653399036.db2.gz LQZACYLTRCMMCN-UHFFFAOYSA-N 1 0 385.965 2.436 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000859061369 653399229 /nfs/dbraw/zinc/39/92/29/653399229.db2.gz HLCDRKLFEIFFCG-BMIGLBTASA-N 1 0 387.889 2.279 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)nc3F)CC[C@H]21 ZINC000859069558 653400067 /nfs/dbraw/zinc/40/00/67/653400067.db2.gz RGCTZYJKYBZEAS-GHMZBOCLSA-N 1 0 392.294 2.088 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000777509355 653400247 /nfs/dbraw/zinc/40/02/47/653400247.db2.gz VOVXRTKNYRIRIK-LSDHHAIUSA-N 1 0 398.301 2.120 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[N@H+](Cn2ccc(=S)c3ccccc32)CC1 ZINC000811789290 653404958 /nfs/dbraw/zinc/40/49/58/653404958.db2.gz XDVYLYCWCJCCNM-UHFFFAOYSA-N 1 0 380.539 2.142 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccnc3I)CC[C@@H]21 ZINC000777811849 653408204 /nfs/dbraw/zinc/40/82/04/653408204.db2.gz ZACYGQIEMBLMNC-YPMHNXCESA-N 1 0 385.249 2.243 20 0 GEADRO C[C@@H]1CN(CCO)CCN1C(=O)C(F)(F)c1ccccc1Br ZINC000837185945 653408724 /nfs/dbraw/zinc/40/87/24/653408724.db2.gz IQAKBWUALVCDMG-LLVKDONJSA-N 1 0 377.229 2.066 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000859121069 653409200 /nfs/dbraw/zinc/40/92/00/653409200.db2.gz RJKRPUDKKXWWQE-LLVKDONJSA-N 1 0 382.404 2.356 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000859132740 653411095 /nfs/dbraw/zinc/41/10/95/653411095.db2.gz RQVUOZABKMTQRG-SNVBAGLBSA-N 1 0 380.283 2.088 20 0 GEADRO Cn1ncc(C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)n1 ZINC000811929996 653413215 /nfs/dbraw/zinc/41/32/15/653413215.db2.gz PDRDUNDBZGOFEP-UHFFFAOYSA-N 1 0 392.301 2.314 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2ncc(Br)s2)C[C@@H]1C ZINC000876283362 653418655 /nfs/dbraw/zinc/41/86/55/653418655.db2.gz OKSPSSWPQROJDH-PHIMTYICSA-N 1 0 391.335 2.156 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(I)c3)C[C@@H]2C1 ZINC000812321642 653422071 /nfs/dbraw/zinc/42/20/71/653422071.db2.gz LEEYSNWKKWSWKG-KGLIPLIRSA-N 1 0 384.261 2.244 20 0 GEADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)Cc2ccsc2)n1 ZINC000876316971 653423118 /nfs/dbraw/zinc/42/31/18/653423118.db2.gz NWYUXRTYKZLUEN-UHFFFAOYSA-N 1 0 381.523 2.448 20 0 GEADRO Cn1cc(I)c(C(=O)NC2CCC(C)([NH+](C)C)CC2)n1 ZINC000876334759 653423482 /nfs/dbraw/zinc/42/34/82/653423482.db2.gz QJHNWEMXWYXSDD-UHFFFAOYSA-N 1 0 390.269 2.017 20 0 GEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(Br)cnc1F ZINC000859226529 653426016 /nfs/dbraw/zinc/42/60/16/653426016.db2.gz MKNCLFTYKZKOJU-UHFFFAOYSA-N 1 0 386.265 2.358 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1I ZINC000876951685 653455972 /nfs/dbraw/zinc/45/59/72/653455972.db2.gz FKTHYKATMPOWIR-NXEZZACHSA-N 1 0 376.242 2.020 20 0 GEADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1scc(C)c1Br ZINC000876477033 653431161 /nfs/dbraw/zinc/43/11/61/653431161.db2.gz ZRRBWIHEPYMKQI-OAHLLOKOSA-N 1 0 391.331 2.238 20 0 GEADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1csc(Br)c1C ZINC000876476096 653431272 /nfs/dbraw/zinc/43/12/72/653431272.db2.gz RSSYUAHHBVIBQV-OAHLLOKOSA-N 1 0 391.331 2.238 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2C[NH2+]C)c1 ZINC000876541078 653434659 /nfs/dbraw/zinc/43/46/59/653434659.db2.gz SRQOGUITJFXPDH-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876556961 653435470 /nfs/dbraw/zinc/43/54/70/653435470.db2.gz ZBVSDGOBEHQTBH-YXVBKTCISA-N 1 0 380.286 2.402 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000876597436 653437207 /nfs/dbraw/zinc/43/72/07/653437207.db2.gz ZBZNFNXZYKNZIT-OSAQELSMSA-N 1 0 387.249 2.117 20 0 GEADRO C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000876601910 653437618 /nfs/dbraw/zinc/43/76/18/653437618.db2.gz DCEFAMHVOQWTTI-DZGCQCFKSA-N 1 0 387.311 2.202 20 0 GEADRO COc1cc(Br)c(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1OC ZINC000876642444 653440654 /nfs/dbraw/zinc/44/06/54/653440654.db2.gz AYWVVIIOAJWEOP-OTYXRUKQSA-N 1 0 375.238 2.030 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876657722 653441487 /nfs/dbraw/zinc/44/14/87/653441487.db2.gz IOIVYTNEVSPKSH-TVQRCGJNSA-N 1 0 379.404 2.001 20 0 GEADRO CN(C(=O)c1csc(C2CC[NH2+]CC2)n1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000876680165 653442502 /nfs/dbraw/zinc/44/25/02/653442502.db2.gz ALSJTSMCIDVAQQ-LSDHHAIUSA-N 1 0 385.555 2.038 20 0 GEADRO CCN(CCOc1ccc(Br)cc1)C(=O)c1c(C[NH3+])cnn1C ZINC000876684111 653442556 /nfs/dbraw/zinc/44/25/56/653442556.db2.gz JTVIHZFZHSHGQK-UHFFFAOYSA-N 1 0 381.274 2.182 20 0 GEADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876714108 653443464 /nfs/dbraw/zinc/44/34/64/653443464.db2.gz WSYKWWUUMOPTCV-ABAIWWIYSA-N 1 0 386.265 2.172 20 0 GEADRO COC(=O)c1ccc(CN2CC[NH+](CCCCO)CC2)cc1Br ZINC000876724581 653444142 /nfs/dbraw/zinc/44/41/42/653444142.db2.gz BRHSWSODSNYPGQ-UHFFFAOYSA-N 1 0 385.302 2.126 20 0 GEADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876733070 653444823 /nfs/dbraw/zinc/44/48/23/653444823.db2.gz NDNYEAAXLKRALD-ZENOOKHLSA-N 1 0 384.293 2.339 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCN(Cc2nc(Cl)ccc2Br)CC1 ZINC000876774549 653447358 /nfs/dbraw/zinc/44/73/58/653447358.db2.gz YZNKMDOXEABMKS-UHFFFAOYSA-N 1 0 389.725 2.093 20 0 GEADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cc(Br)cn2ccnc12 ZINC000876803839 653449207 /nfs/dbraw/zinc/44/92/07/653449207.db2.gz KXHMHZOFYKWTFF-UHFFFAOYSA-N 1 0 389.257 2.470 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cnc2Br)C[C@@H]1C ZINC000812972677 653449392 /nfs/dbraw/zinc/44/93/92/653449392.db2.gz MOULFRCBWZOJAQ-QWHCGFSZSA-N 1 0 397.317 2.422 20 0 GEADRO CSc1ccc(/C=C/C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)s1 ZINC000859362956 653450817 /nfs/dbraw/zinc/45/08/17/653450817.db2.gz CIGVZIVXGCJBLY-GQCTYLIASA-N 1 0 381.567 2.400 20 0 GEADRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC000859364111 653450886 /nfs/dbraw/zinc/45/08/86/653450886.db2.gz HDCIFKCERRSIHV-UHFFFAOYSA-N 1 0 376.448 2.451 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)cnc1Br ZINC000812986115 653450967 /nfs/dbraw/zinc/45/09/67/653450967.db2.gz PRTLJQXIQFENFM-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000876913590 653454023 /nfs/dbraw/zinc/45/40/23/653454023.db2.gz JGUGWYIEYYZQDY-GOSISDBHSA-N 1 0 386.945 2.128 20 0 GEADRO CCn1ncc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1Br ZINC000876920742 653454614 /nfs/dbraw/zinc/45/46/14/653454614.db2.gz BEAHGIMBDVFFQE-GXTWGEPZSA-N 1 0 385.306 2.024 20 0 GEADRO CCn1ncc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1Br ZINC000876919875 653454619 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GEADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877018517 653460309 /nfs/dbraw/zinc/46/03/09/653460309.db2.gz OIZILMXONGYOSJ-RKDXNWHRSA-N 1 0 383.212 2.090 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000877018560 653460312 /nfs/dbraw/zinc/46/03/12/653460312.db2.gz XNXSFVZDNORKOL-CABZTGNLSA-N 1 0 398.834 2.343 20 0 GEADRO Nc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(Br)n1 ZINC000877017786 653460366 /nfs/dbraw/zinc/46/03/66/653460366.db2.gz IIKVYHGQEUBSQQ-IUCAKERBSA-N 1 0 381.196 2.026 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877018514 653460403 /nfs/dbraw/zinc/46/04/03/653460403.db2.gz OIZILMXONGYOSJ-BDAKNGLRSA-N 1 0 383.212 2.090 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNCc2nc(Cl)ccc2Br)C1 ZINC000877022446 653460699 /nfs/dbraw/zinc/46/06/99/653460699.db2.gz VAKOUCYPSSNCRP-NSHDSACASA-N 1 0 389.725 2.175 20 0 GEADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031129 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Cc1cc(Br)ncc1NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000878902349 653651448 /nfs/dbraw/zinc/65/14/48/653651448.db2.gz QFZPCYQKZOZMIN-UHFFFAOYSA-N 1 0 396.333 2.396 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2csc(Cl)n2)CC1 ZINC000781907397 653651762 /nfs/dbraw/zinc/65/17/62/653651762.db2.gz ILRHFGCFHGRYSK-UHFFFAOYSA-N 1 0 386.949 2.353 20 0 GEADRO COc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)nc1Br ZINC000781953760 653652379 /nfs/dbraw/zinc/65/23/79/653652379.db2.gz MRVAAWJTOJLTLT-ZDUSSCGKSA-N 1 0 398.301 2.180 20 0 GEADRO COC1(CC[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCC1 ZINC000815147995 653653413 /nfs/dbraw/zinc/65/34/13/653653413.db2.gz JBPIKDPKIWTZGW-ZDUSSCGKSA-N 1 0 375.922 2.253 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Nc1cccnc1Br ZINC000878974799 653653996 /nfs/dbraw/zinc/65/39/96/653653996.db2.gz OEIVWHSCBFTJLB-UHFFFAOYSA-N 1 0 383.290 2.420 20 0 GEADRO CCN1CCN(C(=O)C(=O)Nc2ccc(SC(F)(F)F)nc2)[C@H](C)C1 ZINC000839553852 653654689 /nfs/dbraw/zinc/65/46/89/653654689.db2.gz 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O=S(=O)(c1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1)C(F)F ZINC000815289528 653657203 /nfs/dbraw/zinc/65/72/03/653657203.db2.gz IBBGEEKAFVIHNT-NVXWUHKLSA-N 1 0 375.437 2.093 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000879065483 653657712 /nfs/dbraw/zinc/65/77/12/653657712.db2.gz GUDDBRNIJBVXAG-NHYWBVRUSA-N 1 0 381.325 2.288 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000879065481 653657717 /nfs/dbraw/zinc/65/77/17/653657717.db2.gz GUDDBRNIJBVXAG-ABAIWWIYSA-N 1 0 381.325 2.288 20 0 GEADRO COC(=O)[C@H]1CC(=O)N(C[NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000782271026 653658321 /nfs/dbraw/zinc/65/83/21/653658321.db2.gz WLCHYGQCVXMYAR-LBPRGKRZSA-N 1 0 381.270 2.397 20 0 GEADRO Cc1cc(Br)c2c(c1)CCN(CC(=O)NC1CC[NH+](C)CC1)C2 ZINC000879107236 653659218 /nfs/dbraw/zinc/65/92/18/653659218.db2.gz UFTHNQPBSWFMBM-UHFFFAOYSA-N 1 0 380.330 2.326 20 0 GEADRO C[N@@H+]1CCN(C(=O)Nc2ccncc2I)CCC1(C)C ZINC000879129368 653659988 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O=C(c1nc(Br)sc1C1CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861716207 653665427 /nfs/dbraw/zinc/66/54/27/653665427.db2.gz TXNKGQYFSSDFQZ-GHMZBOCLSA-N 1 0 386.315 2.064 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cn2c(Br)cnc2s1 ZINC000815797946 653665760 /nfs/dbraw/zinc/66/57/60/653665760.db2.gz KRJAMZJFTZKZCA-LLVKDONJSA-N 1 0 399.314 2.141 20 0 GEADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000839826776 653666133 /nfs/dbraw/zinc/66/61/33/653666133.db2.gz ULUGAUDNKZVIED-CABCVRRESA-N 1 0 387.343 2.378 20 0 GEADRO CSCCCCCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861750507 653666328 /nfs/dbraw/zinc/66/63/28/653666328.db2.gz LCFZJRCDTITXOD-STQMWFEESA-N 1 0 383.480 2.012 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879363008 653666753 /nfs/dbraw/zinc/66/67/53/653666753.db2.gz MJYVDZMVHAFFTQ-XJKSGUPXSA-N 1 0 375.296 2.017 20 0 GEADRO CCC(CC)(CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)SC ZINC000861771934 653666787 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GEADRO CC[N@H+](CCO)CCNC(=O)c1ccc(OC(F)F)c(Br)c1 ZINC000879510051 653671254 /nfs/dbraw/zinc/67/12/54/653671254.db2.gz JKKHGVPUHNCZRK-UHFFFAOYSA-N 1 0 381.217 2.095 20 0 GEADRO COc1ccc([C@H]2CN(C[C@@H](O)c3cc(Br)no3)CC[NH2+]2)cc1 ZINC000879522715 653671464 /nfs/dbraw/zinc/67/14/64/653671464.db2.gz KXRSEGSQZFPYME-ZIAGYGMSSA-N 1 0 382.258 2.126 20 0 GEADRO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879558094 653672828 /nfs/dbraw/zinc/67/28/28/653672828.db2.gz QWIINTXTJIUJOG-UONOGXRCSA-N 1 0 381.929 2.422 20 0 GEADRO O=C(NCCc1ccc(Br)cc1F)NCC[N@@H+]1CCCOCC1 ZINC000782966641 653673092 /nfs/dbraw/zinc/67/30/92/653673092.db2.gz NYDOWWLHDMFTCT-UHFFFAOYSA-N 1 0 388.281 2.152 20 0 GEADRO CN1CC[NH+](C2CCN(CC(=O)Nc3ccccc3Br)CC2)CC1 ZINC000879592767 653673822 /nfs/dbraw/zinc/67/38/22/653673822.db2.gz PFAUGOBMMPZETE-UHFFFAOYSA-N 1 0 395.345 2.099 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610630 653674164 /nfs/dbraw/zinc/67/41/64/653674164.db2.gz 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653676184 /nfs/dbraw/zinc/67/61/84/653676184.db2.gz BWRVPPDWIVOIIH-MRXNPFEDSA-N 1 0 396.329 2.175 20 0 GEADRO Cn1nc(Br)cc1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000879644604 653676821 /nfs/dbraw/zinc/67/68/21/653676821.db2.gz IHDXMNYSEIHXCH-ZDUSSCGKSA-N 1 0 380.290 2.477 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)CN2c3cccc(Br)c3C(=O)C2=O)C1 ZINC000840151230 653676992 /nfs/dbraw/zinc/67/69/92/653676992.db2.gz DGAAXNYKBJDKNA-GFCCVEGCSA-N 1 0 380.286 2.350 20 0 GEADRO COC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000879663506 653678140 /nfs/dbraw/zinc/67/81/40/653678140.db2.gz JMLOVBGVVKTYGS-IUODEOHRSA-N 1 0 391.331 2.008 20 0 GEADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879670732 653678421 /nfs/dbraw/zinc/67/84/21/653678421.db2.gz AQYMBCBVXDWIGN-QNWYCTJYSA-N 1 0 378.416 2.453 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000783502736 653679685 /nfs/dbraw/zinc/67/96/85/653679685.db2.gz OQJPMEFUNAFRBK-HNNXBMFYSA-N 1 0 377.551 2.037 20 0 GEADRO Cc1csc([C@H](NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C(F)(F)F)n1 ZINC000879705317 653679753 /nfs/dbraw/zinc/67/97/53/653679753.db2.gz NHCYDAYFWGBIQU-QWRGUYRKSA-N 1 0 380.436 2.199 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000783517041 653679951 /nfs/dbraw/zinc/67/99/51/653679951.db2.gz FNNYSZQIIOJAMC-OAHLLOKOSA-N 1 0 376.316 2.477 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000840222009 653680543 /nfs/dbraw/zinc/68/05/43/653680543.db2.gz WVHDLGRXTJDHOX-GJZGRUSLSA-N 1 0 386.539 2.319 20 0 GEADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000840299296 653682025 /nfs/dbraw/zinc/68/20/25/653682025.db2.gz SIEFKUWHIYDUTO-GOEBONIOSA-N 1 0 382.302 2.361 20 0 GEADRO CCOc1cc(C[NH2+]CC(=O)N(CC)OCC)cc(Br)c1O ZINC000862451866 653687173 /nfs/dbraw/zinc/68/71/73/653687173.db2.gz ATTOWVGAZPENLJ-UHFFFAOYSA-N 1 0 375.263 2.443 20 0 GEADRO C[NH+]1CCC(ONC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000816534354 653687153 /nfs/dbraw/zinc/68/71/53/653687153.db2.gz GCGIIHSPNHODLW-NSHDSACASA-N 1 0 386.279 2.488 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)CC[N@H+](C)C1 ZINC000840501843 653687261 /nfs/dbraw/zinc/68/72/61/653687261.db2.gz ULPPXFRYXFYKRV-OAHLLOKOSA-N 1 0 380.535 2.342 20 0 GEADRO COC(=O)[C@@H]1CN(Cc2cn(C)nc2Br)C[C@H]1c1ccc(O)cc1 ZINC000862497178 653687724 /nfs/dbraw/zinc/68/77/24/653687724.db2.gz QUXAXHQSBQQTLJ-LSDHHAIUSA-N 1 0 394.269 2.277 20 0 GEADRO O=C1NC2(CO1)CC[NH+](Cn1ccc(=O)c3cccc(Br)c31)CC2 ZINC000784024121 653688257 /nfs/dbraw/zinc/68/82/57/653688257.db2.gz WTONZCHCZUOIDA-UHFFFAOYSA-N 1 0 392.253 2.296 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCN2C2CCCCC2)c(Cl)cn1 ZINC000862628968 653690017 /nfs/dbraw/zinc/69/00/17/653690017.db2.gz LHYBWLWPWVKTPL-CYBMUJFWSA-N 1 0 385.917 2.275 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1[nH]nc(-c2ccccc2)c1Br ZINC000879995880 653691634 /nfs/dbraw/zinc/69/16/34/653691634.db2.gz HBSSKECHNPRNBQ-CYBMUJFWSA-N 1 0 393.285 2.026 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000840731267 653692206 /nfs/dbraw/zinc/69/22/06/653692206.db2.gz LDTZTANIWCFTDD-UGSOOPFHSA-N 1 0 377.282 2.423 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3ccc(C4SCCS4)cc3)C2)CC1 ZINC000816751960 653692741 /nfs/dbraw/zinc/69/27/41/653692741.db2.gz KTZMXGGVYBOOMN-UHFFFAOYSA-N 1 0 377.579 2.485 20 0 GEADRO COc1cc(I)ccc1NC(=S)NCC[NH+](C)C ZINC000840778402 653693733 /nfs/dbraw/zinc/69/37/33/653693733.db2.gz BBYFWJQIZOECJS-UHFFFAOYSA-N 1 0 379.267 2.148 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cn(C)nc2Br)C1 ZINC000880051856 653694786 /nfs/dbraw/zinc/69/47/86/653694786.db2.gz CGBZOZSJZGKENE-LBPRGKRZSA-N 1 0 388.310 2.147 20 0 GEADRO Cc1csc([C@](O)(CC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C(F)(F)F)n1 ZINC000862791516 653695234 /nfs/dbraw/zinc/69/52/34/653695234.db2.gz DXGOOTOAJAXIDX-IUODEOHRSA-N 1 0 379.448 2.440 20 0 GEADRO CC(C)(O)C[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000784538579 653696530 /nfs/dbraw/zinc/69/65/30/653696530.db2.gz SXWMEURBOBCANY-UHFFFAOYSA-N 1 0 396.372 2.446 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCS(=O)(=O)C1CC1 ZINC000840879418 653697228 /nfs/dbraw/zinc/69/72/28/653697228.db2.gz OCKDYUQCIIVNNL-NSHDSACASA-N 1 0 389.315 2.333 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000816971915 653697689 /nfs/dbraw/zinc/69/76/89/653697689.db2.gz VGABBMPNMDFPQX-LLVKDONJSA-N 1 0 389.725 2.253 20 0 GEADRO CN1CCC[C@@H]2[C@H]1CCN2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000880129465 653698654 /nfs/dbraw/zinc/69/86/54/653698654.db2.gz JNUDTCYQFGUEOF-HZPDHXFCSA-N 1 0 387.343 2.391 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000880136595 653698906 /nfs/dbraw/zinc/69/89/06/653698906.db2.gz OUISACKRHYWZNK-HYVNUMGLSA-N 1 0 387.293 2.496 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1CCNC(=O)CC12CCC2 ZINC000880173064 653699898 /nfs/dbraw/zinc/69/98/98/653699898.db2.gz UIZGAVNMQJDPEZ-UHFFFAOYSA-N 1 0 394.313 2.152 20 0 GEADRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000840909099 653700445 /nfs/dbraw/zinc/70/04/45/653700445.db2.gz PDUYZJCGRPMTLT-OAHLLOKOSA-N 1 0 399.310 2.228 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1Cl ZINC000840906862 653700467 /nfs/dbraw/zinc/70/04/67/653700467.db2.gz JNSUNMBXLQPVAE-MBNYWOFBSA-N 1 0 378.972 2.457 20 0 GEADRO C[C@@H]1c2sccc2CC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000880378717 653704964 /nfs/dbraw/zinc/70/49/64/653704964.db2.gz YTLAPEZFJNHABU-GFCCVEGCSA-N 1 0 379.507 2.343 20 0 GEADRO C[NH2+]CCCNCc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000841041481 653705587 /nfs/dbraw/zinc/70/55/87/653705587.db2.gz HSVXZVBGABCJDE-UHFFFAOYSA-N 1 0 395.388 2.285 20 0 GEADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841076829 653705943 /nfs/dbraw/zinc/70/59/43/653705943.db2.gz QRJJQPOAJVOXLO-OWCLPIDISA-N 1 0 379.551 2.230 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000841131902 653707078 /nfs/dbraw/zinc/70/70/78/653707078.db2.gz PAXDEAZESPTAAQ-NSHDSACASA-N 1 0 377.894 2.012 20 0 GEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NC1CCC([NH3+])CC1 ZINC000841134283 653707237 /nfs/dbraw/zinc/70/72/37/653707237.db2.gz VHGDFWNCZUEODL-UHFFFAOYSA-N 1 0 389.905 2.155 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cnc(Br)c(Br)c2)C[C@H]1[NH3+] ZINC000841141220 653707376 /nfs/dbraw/zinc/70/73/76/653707376.db2.gz HBHUDXXBYCWOIK-HZGVNTEJSA-N 1 0 378.068 2.418 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841162161 653708610 /nfs/dbraw/zinc/70/86/10/653708610.db2.gz WMNCHWUKDIOQGE-NSHDSACASA-N 1 0 376.254 2.361 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000785414684 653708921 /nfs/dbraw/zinc/70/89/21/653708921.db2.gz VJGLFYSJOSORJN-INIZCTEOSA-N 1 0 397.292 2.485 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cnc1Br ZINC000841177134 653709223 /nfs/dbraw/zinc/70/92/23/653709223.db2.gz RGSWLQNWELAMAE-ZDUSSCGKSA-N 1 0 383.290 2.115 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)CC[C@@H]1[NH3+] ZINC000841180011 653709268 /nfs/dbraw/zinc/70/92/68/653709268.db2.gz USZKKMSXEJMNFC-JQWIXIFHSA-N 1 0 391.269 2.132 20 0 GEADRO O=C(Nc1cccc(Br)n1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000841189976 653709710 /nfs/dbraw/zinc/70/97/10/653709710.db2.gz KRKMULNTULZDJI-UHFFFAOYSA-N 1 0 382.306 2.182 20 0 GEADRO Cn1nc(Br)cc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000785476361 653709802 /nfs/dbraw/zinc/70/98/02/653709802.db2.gz YCFUXLYOJJTDIF-RDJZCZTQSA-N 1 0 393.329 2.155 20 0 GEADRO Cc1cc(N2CCC([NH2+]Cc3cc(Br)nn3C)CC2)nc(C)n1 ZINC000785481969 653709838 /nfs/dbraw/zinc/70/98/38/653709838.db2.gz JQOUPRXWBNSNPI-UHFFFAOYSA-N 1 0 379.306 2.348 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)[C@@H](C)C[NH2+]1 ZINC000841206421 653710442 /nfs/dbraw/zinc/71/04/42/653710442.db2.gz JTJYMUBPUWVIEK-QWRGUYRKSA-N 1 0 391.269 2.145 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cnc(Cl)c1Br ZINC000841225833 653711112 /nfs/dbraw/zinc/71/11/12/653711112.db2.gz FYOOVXMARWENCE-BDAKNGLRSA-N 1 0 389.681 2.131 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cnc(Cl)c1Br ZINC000841228487 653711344 /nfs/dbraw/zinc/71/13/44/653711344.db2.gz FCIGOEVAKOFGNE-CBAPKCEASA-N 1 0 389.681 2.001 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000880685704 653711616 /nfs/dbraw/zinc/71/16/16/653711616.db2.gz VGTXRWBOCZWNOB-UHFFFAOYSA-N 1 0 377.819 2.033 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841241617 653712061 /nfs/dbraw/zinc/71/20/61/653712061.db2.gz CGQFSALFWYTDEK-BONVTDFDSA-N 1 0 376.254 2.489 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000841253253 653712604 /nfs/dbraw/zinc/71/26/04/653712604.db2.gz WTGPIQCFADKVAH-GFCCVEGCSA-N 1 0 383.290 2.372 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000841282330 653712927 /nfs/dbraw/zinc/71/29/27/653712927.db2.gz LJHCAXBFYLPHIE-CYBMUJFWSA-N 1 0 395.301 2.019 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)Nc2cccc(OCC[NH3+])c2)s1 ZINC000841278330 653712964 /nfs/dbraw/zinc/71/29/64/653712964.db2.gz MMXDITMDPBWXLR-UHFFFAOYSA-N 1 0 383.495 2.201 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000785732638 653714775 /nfs/dbraw/zinc/71/47/75/653714775.db2.gz QVSJUXMYJFHGBU-TXEJJXNPSA-N 1 0 394.269 2.373 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576950 653714745 /nfs/dbraw/zinc/71/47/45/653714745.db2.gz AYBYGXJTNPJSNI-AWEZNQCLSA-N 1 0 387.347 2.110 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817581587 653714985 /nfs/dbraw/zinc/71/49/85/653714985.db2.gz QMENFMLWHTXIKL-JOYOIKCWSA-N 1 0 394.360 2.228 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccn2c(I)cnc12 ZINC000817676794 653717148 /nfs/dbraw/zinc/71/71/48/653717148.db2.gz KPPHKFUTZMWJGP-LLVKDONJSA-N 1 0 398.248 2.105 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(=O)c4cc(Br)ccc4o3)[C@@H]2C1 ZINC000841438879 653717179 /nfs/dbraw/zinc/71/71/79/653717179.db2.gz VPOPCCIQOZMUKI-ZWNOBZJWSA-N 1 0 377.238 2.332 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N(C)C[C@@H](C)[NH3+])ccc1Br ZINC000863767248 653719932 /nfs/dbraw/zinc/71/99/32/653719932.db2.gz LYDKYHHTCCBZSZ-IUODEOHRSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@H]1C[NH3+] ZINC000817863542 653721493 /nfs/dbraw/zinc/72/14/93/653721493.db2.gz DSBSXNXUHZFLRI-MBNYWOFBSA-N 1 0 387.933 2.036 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC4(CC[NH2+]4)CC3)cc2s1 ZINC000817987994 653723242 /nfs/dbraw/zinc/72/32/42/653723242.db2.gz FPYGERBETDELSJ-UHFFFAOYSA-N 1 0 376.507 2.311 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000817992257 653723302 /nfs/dbraw/zinc/72/33/02/653723302.db2.gz SRCLJAFTAAGOEQ-WFASDCNBSA-N 1 0 385.917 2.076 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000818002142 653723417 /nfs/dbraw/zinc/72/34/17/653723417.db2.gz UTRCCRHBUSAHRL-STQMWFEESA-N 1 0 377.539 2.286 20 0 GEADRO C[NH+](C)C1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000881269363 653723424 /nfs/dbraw/zinc/72/34/24/653723424.db2.gz QFBUOBHPROSZBB-UHFFFAOYSA-N 1 0 397.273 2.338 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000818003211 653723483 /nfs/dbraw/zinc/72/34/83/653723483.db2.gz QQIFYVJFIQNDGN-OAHLLOKOSA-N 1 0 387.933 2.228 20 0 GEADRO CS(=O)(=O)Nc1cccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1 ZINC000818005540 653723710 /nfs/dbraw/zinc/72/37/10/653723710.db2.gz QNHOAGLPKUYFCO-UHFFFAOYSA-N 1 0 380.495 2.234 20 0 GEADRO C[NH2+]CCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000818015122 653723890 /nfs/dbraw/zinc/72/38/90/653723890.db2.gz SDXUZDHKTMTTSO-UHFFFAOYSA-N 1 0 375.922 2.098 20 0 GEADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016695 653724059 /nfs/dbraw/zinc/72/40/59/653724059.db2.gz LZAKBALIGWJJOZ-QGZVFWFLSA-N 1 0 398.276 2.063 20 0 GEADRO Cn1c(C(=O)N2CCC(O)(C[NH3+])CC2)ccc1-c1ccccc1Br ZINC000818020590 653724063 /nfs/dbraw/zinc/72/40/63/653724063.db2.gz DCLLCTLROXTNNT-UHFFFAOYSA-N 1 0 392.297 2.380 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000881272730 653725229 /nfs/dbraw/zinc/72/52/29/653725229.db2.gz FDQPOLXBVKJBER-NSHDSACASA-N 1 0 397.273 2.386 20 0 GEADRO C[C@H](CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2)[NH+](C)C ZINC000881272960 653725323 /nfs/dbraw/zinc/72/53/23/653725323.db2.gz JXLLLXOVLOYABK-SECBINFHSA-N 1 0 385.262 2.242 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841520974 653726300 /nfs/dbraw/zinc/72/63/00/653726300.db2.gz LQIJYGNVUWBOMU-UHFFFAOYSA-N 1 0 390.962 2.112 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000841525004 653727231 /nfs/dbraw/zinc/72/72/31/653727231.db2.gz SKUPZVKNDUMHIH-VIFPVBQESA-N 1 0 397.722 2.341 20 0 GEADRO O[C@H](Cn1cc(C[C@H]2CCC[NH2+]C2)nn1)c1ccc(F)c(Br)c1 ZINC000881417022 653730287 /nfs/dbraw/zinc/73/02/87/653730287.db2.gz FXAAQQGAWAYGIJ-BDJLRTHQSA-N 1 0 383.265 2.455 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000818429805 653731113 /nfs/dbraw/zinc/73/11/13/653731113.db2.gz FXZSOXUFEQKOBG-LBPRGKRZSA-N 1 0 386.901 2.279 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000841549353 653731372 /nfs/dbraw/zinc/73/13/72/653731372.db2.gz OIXBOROKYHHRFN-CYBMUJFWSA-N 1 0 387.933 2.052 20 0 GEADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000818558936 653733373 /nfs/dbraw/zinc/73/33/73/653733373.db2.gz VCBFBVRNADRPJI-JTQLQIEISA-N 1 0 390.433 2.183 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)ccc1Cl ZINC000818564885 653733682 /nfs/dbraw/zinc/73/36/82/653733682.db2.gz PGXWMXVDBYZWTC-GFCCVEGCSA-N 1 0 379.869 2.207 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(I)c[nH]2)CCN1c1cc[nH+]cc1 ZINC000881636229 653734213 /nfs/dbraw/zinc/73/42/13/653734213.db2.gz RAOUYXVKBRVWTM-NSHDSACASA-N 1 0 396.232 2.365 20 0 GEADRO Cc1oc(Br)cc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000881625069 653734272 /nfs/dbraw/zinc/73/42/72/653734272.db2.gz ISPPVPFNRQSLBP-UHFFFAOYSA-N 1 0 398.301 2.297 20 0 GEADRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000818951360 653739233 /nfs/dbraw/zinc/73/92/33/653739233.db2.gz CNOWVNJCWIKKMK-KRWDZBQOSA-N 1 0 386.876 2.389 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000787534559 653739643 /nfs/dbraw/zinc/73/96/43/653739643.db2.gz XTSJAYGYENOHJP-UHFFFAOYSA-N 1 0 387.933 2.294 20 0 GEADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000818982866 653739999 /nfs/dbraw/zinc/73/99/99/653739999.db2.gz UHYSIYCYEYSBTA-CYBMUJFWSA-N 1 0 389.290 2.303 20 0 GEADRO O=C(NCCC[NH2+]C[C@@H](O)c1ccc(F)cn1)c1ccc(Br)cc1 ZINC000819001916 653740513 /nfs/dbraw/zinc/74/05/13/653740513.db2.gz QSYGHPIPERNVOK-MRXNPFEDSA-N 1 0 396.260 2.426 20 0 GEADRO CCS(=O)(=O)CC[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000818999479 653740565 /nfs/dbraw/zinc/74/05/65/653740565.db2.gz SBRGIAHPXVAOPS-UHFFFAOYSA-N 1 0 377.304 2.110 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(I)nn1C ZINC000864571418 653741334 /nfs/dbraw/zinc/74/13/34/653741334.db2.gz CMMRNOPVEWHDFX-NSHDSACASA-N 1 0 390.269 2.019 20 0 GEADRO CC[S@@](=O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000819047171 653741472 /nfs/dbraw/zinc/74/14/72/653741472.db2.gz KIAISJYBZKSWLT-BIBXISHDSA-N 1 0 384.723 2.200 20 0 GEADRO Cc1ccccc1[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000819053450 653741553 /nfs/dbraw/zinc/74/15/53/653741553.db2.gz DIMLWCJEQZVMLK-OAHLLOKOSA-N 1 0 380.432 2.180 20 0 GEADRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCN1CC(F)(F)F ZINC000819055885 653741769 /nfs/dbraw/zinc/74/17/69/653741769.db2.gz SRONWCYEHOCNFO-NEPJUHHUSA-N 1 0 381.192 2.235 20 0 GEADRO C[C@@](O)(C[NH2+]CCN1CCSCC1)c1ccc(Br)cc1F ZINC000819057205 653741892 /nfs/dbraw/zinc/74/18/92/653741892.db2.gz ULGDJCFINIKTJY-OAHLLOKOSA-N 1 0 377.323 2.434 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000819061848 653742215 /nfs/dbraw/zinc/74/22/15/653742215.db2.gz ZAAATJDUYMFSGL-AWEZNQCLSA-N 1 0 382.860 2.227 20 0 GEADRO C[C@@]1(CCNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1(Cl)Cl ZINC000841912598 653742513 /nfs/dbraw/zinc/74/25/13/653742513.db2.gz MPWHEWZSDJLLFZ-TZMCWYRMSA-N 1 0 375.304 2.057 20 0 GEADRO C[C@]1(CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1(Cl)Cl ZINC000841912197 653742538 /nfs/dbraw/zinc/74/25/38/653742538.db2.gz IPFXJTSFBBPJAB-XUJLQICISA-N 1 0 377.360 2.476 20 0 GEADRO C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000841921944 653742557 /nfs/dbraw/zinc/74/25/57/653742557.db2.gz ZPBZMPCPOUDZFS-MLGOLLRUSA-N 1 0 389.327 2.010 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NCC2CC[NH2+]CC2)c(Br)c1 ZINC000841924627 653742623 /nfs/dbraw/zinc/74/26/23/653742623.db2.gz ZOMITNBOKQLCQA-UHFFFAOYSA-N 1 0 384.274 2.035 20 0 GEADRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)CN1CCOCC1 ZINC000819089849 653743051 /nfs/dbraw/zinc/74/30/51/653743051.db2.gz OKDVJTPZBJOWRP-BLLLJJGKSA-N 1 0 375.282 2.180 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000841983518 653743071 /nfs/dbraw/zinc/74/30/71/653743071.db2.gz TXPBSVUAPHNYEB-OLZOCXBDSA-N 1 0 384.274 2.305 20 0 GEADRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)C2)cn1 ZINC000819104284 653743369 /nfs/dbraw/zinc/74/33/69/653743369.db2.gz JGRBRRPJNRARFJ-NVXWUHKLSA-N 1 0 379.302 2.475 20 0 GEADRO Cn1cc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccccc3Br)C2)cn1 ZINC000819104276 653743380 /nfs/dbraw/zinc/74/33/80/653743380.db2.gz JEUDNZWGSMDZPA-SUMWQHHRSA-N 1 0 379.302 2.475 20 0 GEADRO Cn1cc(N2CCC[C@H]([NH2+]C[C@H](O)c3cccc(Br)c3)C2)cn1 ZINC000819106039 653743396 /nfs/dbraw/zinc/74/33/96/653743396.db2.gz SCROVYWSODVFSH-RDJZCZTQSA-N 1 0 379.302 2.475 20 0 GEADRO CCOC(=O)N1CCC([NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000787763095 653743582 /nfs/dbraw/zinc/74/35/82/653743582.db2.gz UQGGYZSXVRDLME-GFCCVEGCSA-N 1 0 386.290 2.210 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000842009977 653743624 /nfs/dbraw/zinc/74/36/24/653743624.db2.gz GUFUAPVTPKRAOG-ZIBATOQPSA-N 1 0 376.284 2.093 20 0 GEADRO COc1cccc([C@H](O)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000787766882 653743660 /nfs/dbraw/zinc/74/36/60/653743660.db2.gz XFWDTBNTYRKENM-BLLLJJGKSA-N 1 0 381.270 2.331 20 0 GEADRO Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000819146591 653744424 /nfs/dbraw/zinc/74/44/24/653744424.db2.gz QUTBAKXOCLJZLK-CQSZACIVSA-N 1 0 384.395 2.071 20 0 GEADRO CCNC(=O)N1CC[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819160990 653744789 /nfs/dbraw/zinc/74/47/89/653744789.db2.gz PDZJDLCIIIZIGP-LRDDRELGSA-N 1 0 388.281 2.189 20 0 GEADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000819171923 653744921 /nfs/dbraw/zinc/74/49/21/653744921.db2.gz RNQXOYBZKBLVSN-UONOGXRCSA-N 1 0 380.432 2.470 20 0 GEADRO COCCC(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819172759 653745239 /nfs/dbraw/zinc/74/52/39/653745239.db2.gz FXSDAPXBHOKFSR-INIZCTEOSA-N 1 0 385.302 2.100 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)c2cc(F)ccc2F)c(C)s1 ZINC000819180049 653745658 /nfs/dbraw/zinc/74/56/58/653745658.db2.gz LTTWQPNAFTXCDC-OAHLLOKOSA-N 1 0 390.477 2.245 20 0 GEADRO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000819197310 653746001 /nfs/dbraw/zinc/74/60/01/653746001.db2.gz IEEIAAJLAVGYGY-MXASKKJJSA-N 1 0 383.535 2.182 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)COc1cccc(I)c1 ZINC000787924511 653746201 /nfs/dbraw/zinc/74/62/01/653746201.db2.gz UNYOHBQCVXJINL-LBPRGKRZSA-N 1 0 388.249 2.271 20 0 GEADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819211703 653746381 /nfs/dbraw/zinc/74/63/81/653746381.db2.gz DDQDADBKBDQLJB-QGZVFWFLSA-N 1 0 376.469 2.038 20 0 GEADRO CC[NH+](CC)CCOC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000842140229 653746485 /nfs/dbraw/zinc/74/64/85/653746485.db2.gz AVQSBWCLKIYPKV-UHFFFAOYSA-N 1 0 392.315 2.498 20 0 GEADRO O=S1(=O)CCCC[C@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819221705 653746812 /nfs/dbraw/zinc/74/68/12/653746812.db2.gz MRBHKNXQJFAUDG-FZMZJTMJSA-N 1 0 380.279 2.179 20 0 GEADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842154058 653746906 /nfs/dbraw/zinc/74/69/06/653746906.db2.gz ZGBIBSBMTZCAPY-RDTXWAMCSA-N 1 0 379.913 2.348 20 0 GEADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]CCS(C)(=O)=O ZINC000819241630 653746992 /nfs/dbraw/zinc/74/69/92/653746992.db2.gz SERMMQWIUOHBQJ-OAHLLOKOSA-N 1 0 378.332 2.421 20 0 GEADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000819261332 653747195 /nfs/dbraw/zinc/74/71/95/653747195.db2.gz JRJPEOXCFMTCMJ-HNNXBMFYSA-N 1 0 375.531 2.214 20 0 GEADRO C[C@@](O)(C[NH2+]CCC1CS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000819256316 653747210 /nfs/dbraw/zinc/74/72/10/653747210.db2.gz JXXSFUSEKRGDKZ-CQSZACIVSA-N 1 0 396.734 2.334 20 0 GEADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000819263122 653747362 /nfs/dbraw/zinc/74/73/62/653747362.db2.gz SHTFHUIFZGCHDS-OAHLLOKOSA-N 1 0 376.469 2.181 20 0 GEADRO CC(C)n1ncc(C(=O)NCC[NH+]2CCCCC2)c1I ZINC000864878841 653747450 /nfs/dbraw/zinc/74/74/50/653747450.db2.gz ZPIZNNXZRIULBY-UHFFFAOYSA-N 1 0 390.269 2.284 20 0 GEADRO C[C@@H](NC(=O)NCCOCC[NH+](C)C)[C@H](O)c1c(Cl)cccc1Cl ZINC000788019370 653747656 /nfs/dbraw/zinc/74/76/56/653747656.db2.gz SQHKLGXOOLUCGD-ABAIWWIYSA-N 1 0 378.300 2.293 20 0 GEADRO Cc1ccccc1[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000819295871 653748528 /nfs/dbraw/zinc/74/85/28/653748528.db2.gz SZNLJKWVIPWJOB-INIZCTEOSA-N 1 0 386.876 2.389 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000842211735 653748616 /nfs/dbraw/zinc/74/86/16/653748616.db2.gz GBYPNQQOUHTFPE-MNOVXSKESA-N 1 0 391.921 2.379 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000819308355 653748907 /nfs/dbraw/zinc/74/89/07/653748907.db2.gz QXAXKHJUMQIQRJ-CABCVRRESA-N 1 0 380.432 2.143 20 0 GEADRO C[N@H+](CCN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O)C1CC1 ZINC000842237560 653749124 /nfs/dbraw/zinc/74/91/24/653749124.db2.gz FPLAUKFPQCGLMS-HNNXBMFYSA-N 1 0 378.270 2.232 20 0 GEADRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819343709 653749594 /nfs/dbraw/zinc/74/95/94/653749594.db2.gz ALWGGRHSSHFKDP-IUIKQTSFSA-N 1 0 376.266 2.437 20 0 GEADRO CCOC(=O)COCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819345198 653749595 /nfs/dbraw/zinc/74/95/95/653749595.db2.gz YLVCXDQKKLEMMC-OAHLLOKOSA-N 1 0 394.693 2.479 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000842251562 653749649 /nfs/dbraw/zinc/74/96/49/653749649.db2.gz SNLWWYRGRYZFGH-KRWDZBQOSA-N 1 0 395.301 2.067 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(I)nn1C ZINC000864960088 653749766 /nfs/dbraw/zinc/74/97/66/653749766.db2.gz BHEYLGPDXQLBOW-NSHDSACASA-N 1 0 392.285 2.265 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000788123899 653750284 /nfs/dbraw/zinc/75/02/84/653750284.db2.gz XHRYRRATMIIPFK-QWHCGFSZSA-N 1 0 386.901 2.374 20 0 GEADRO COc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cnc1Br ZINC000788162611 653751255 /nfs/dbraw/zinc/75/12/55/653751255.db2.gz PPVMYTDPYYLTIR-AWEZNQCLSA-N 1 0 398.301 2.226 20 0 GEADRO C/C(=C\c1ccc(Br)o1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000865116302 653754193 /nfs/dbraw/zinc/75/41/93/653754193.db2.gz FTOWGFUPMOORBJ-XSNHNAGMSA-N 1 0 398.301 2.149 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC[C@H]2C[NH+](C)C)c1I ZINC000865124699 653754705 /nfs/dbraw/zinc/75/47/05/653754705.db2.gz CXCUVLJSZZHHQW-NSHDSACASA-N 1 0 390.269 2.235 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)c1cccc(Br)c1 ZINC000865129147 653754874 /nfs/dbraw/zinc/75/48/74/653754874.db2.gz USLDMYKZPCFMLQ-HOTGVXAUSA-N 1 0 382.302 2.179 20 0 GEADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000788435288 653756224 /nfs/dbraw/zinc/75/62/24/653756224.db2.gz XHUKZCAWQYOTDV-NSHDSACASA-N 1 0 395.282 2.292 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC000882007501 653756703 /nfs/dbraw/zinc/75/67/03/653756703.db2.gz KVXYQGRSWOPCKS-AAVRWANBSA-N 1 0 385.357 2.084 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)ccc1Br ZINC000842481143 653757981 /nfs/dbraw/zinc/75/79/81/653757981.db2.gz DUZKKXHSJSYUTC-UHFFFAOYSA-N 1 0 375.288 2.072 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c(Cl)cc1Cl ZINC000842481421 653758009 /nfs/dbraw/zinc/75/80/09/653758009.db2.gz ILQBJNVCYTVMPU-VIFPVBQESA-N 1 0 381.281 2.200 20 0 GEADRO COc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cnc1Br ZINC000788517408 653758106 /nfs/dbraw/zinc/75/81/06/653758106.db2.gz NNSRAIIAEJCEOM-AWEZNQCLSA-N 1 0 398.301 2.180 20 0 GEADRO C[C@@H](NC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)C(F)(F)F ZINC000865253979 653758046 /nfs/dbraw/zinc/75/80/46/653758046.db2.gz HRWJQPUINMJRAF-IUODEOHRSA-N 1 0 375.460 2.427 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000842485944 653758666 /nfs/dbraw/zinc/75/86/66/653758666.db2.gz QSDNEINYHXDELI-OLZOCXBDSA-N 1 0 394.324 2.295 20 0 GEADRO O=S(=O)(CCc1ccc(Cl)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000819872682 653759083 /nfs/dbraw/zinc/75/90/83/653759083.db2.gz BIFIGXPENZZHRP-GOSISDBHSA-N 1 0 386.945 2.445 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842513452 653759206 /nfs/dbraw/zinc/75/92/06/653759206.db2.gz PTONFEJIKFPBFR-KRWDZBQOSA-N 1 0 376.507 2.354 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000788545183 653759276 /nfs/dbraw/zinc/75/92/76/653759276.db2.gz HPUAIXVWHXTSNZ-NEPJUHHUSA-N 1 0 381.464 2.125 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(C)c1Cl ZINC000788578766 653759724 /nfs/dbraw/zinc/75/97/24/653759724.db2.gz XRIPPZWNIVRAJM-UHFFFAOYSA-N 1 0 382.935 2.363 20 0 GEADRO C[NH2+]C[C@H](C)c1noc(Cc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 ZINC000842577726 653759836 /nfs/dbraw/zinc/75/98/36/653759836.db2.gz QIXBYSCITZBTIC-LBPRGKRZSA-N 1 0 384.527 2.219 20 0 GEADRO C[NH2+]C[C@H](C)c1noc(CCN2C(=O)COc3cc(Br)ccc32)n1 ZINC000842581164 653759871 /nfs/dbraw/zinc/75/98/71/653759871.db2.gz JMZUIMMGQRYUGQ-JTQLQIEISA-N 1 0 395.257 2.123 20 0 GEADRO CS(=O)(=O)c1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)ccc1Br ZINC000842667143 653762176 /nfs/dbraw/zinc/76/21/76/653762176.db2.gz HBCQOILWUBTHCC-JTQLQIEISA-N 1 0 386.271 2.370 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC000842679119 653762668 /nfs/dbraw/zinc/76/26/68/653762668.db2.gz ZHZXNQPFDJMCGT-JTQLQIEISA-N 1 0 380.919 2.117 20 0 GEADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Br)cnc1Cl)CC2 ZINC000842688603 653763036 /nfs/dbraw/zinc/76/30/36/653763036.db2.gz JXSSDKQRKFUQOU-NSHDSACASA-N 1 0 386.681 2.340 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(C)c1Cl ZINC000842689956 653763168 /nfs/dbraw/zinc/76/31/68/653763168.db2.gz MQPAAASTFRYGAS-VHSXEESVSA-N 1 0 380.919 2.387 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1Cl ZINC000842697278 653763438 /nfs/dbraw/zinc/76/34/38/653763438.db2.gz RSVAVMZOPSKOGK-UWVGGRQHSA-N 1 0 380.919 2.163 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1Br ZINC000842698055 653763459 /nfs/dbraw/zinc/76/34/59/653763459.db2.gz AMULSDGVDVPDCY-PWSUYJOCSA-N 1 0 389.315 2.318 20 0 GEADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cnc1Cl ZINC000842699355 653763604 /nfs/dbraw/zinc/76/36/04/653763604.db2.gz LTRXYMZPDZKEGE-OLZOCXBDSA-N 1 0 379.682 2.408 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c(C)c1Cl ZINC000842720925 653764582 /nfs/dbraw/zinc/76/45/82/653764582.db2.gz BYPPDFCWARWXDY-SCZZXKLOSA-N 1 0 380.919 2.244 20 0 GEADRO Cc1ccnc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1Br ZINC000865410401 653764672 /nfs/dbraw/zinc/76/46/72/653764672.db2.gz SFNUDKXIYRIFHY-UHFFFAOYSA-N 1 0 384.299 2.132 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000842722914 653764747 /nfs/dbraw/zinc/76/47/47/653764747.db2.gz VRRQAOOMPXWZDY-CABZTGNLSA-N 1 0 395.294 2.345 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c(C)c1Cl ZINC000842726138 653764958 /nfs/dbraw/zinc/76/49/58/653764958.db2.gz TUOZDWPNTBXASS-NXEZZACHSA-N 1 0 380.919 2.292 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c(Br)c1 ZINC000842737936 653765398 /nfs/dbraw/zinc/76/53/98/653765398.db2.gz SDXWCMFMMFPYOV-UHFFFAOYSA-N 1 0 377.304 2.348 20 0 GEADRO NS(=O)(=O)c1cc(Br)ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000865448386 653765551 /nfs/dbraw/zinc/76/55/51/653765551.db2.gz FCTIRIIYMGJTHD-CYBMUJFWSA-N 1 0 388.331 2.161 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000842743578 653765570 /nfs/dbraw/zinc/76/55/70/653765570.db2.gz HMNIGKHIYSLNCH-MRVPVSSYSA-N 1 0 399.332 2.093 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000842740049 653765604 /nfs/dbraw/zinc/76/56/04/653765604.db2.gz LTLHPRPGYWDMKW-ZDUSSCGKSA-N 1 0 381.420 2.181 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC1 ZINC000842740195 653765635 /nfs/dbraw/zinc/76/56/35/653765635.db2.gz NGXLENUTIACALG-UHFFFAOYSA-N 1 0 389.930 2.468 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]Cc2ccc(C3OCCO3)cc2)ccc1Cl ZINC000865463033 653766213 /nfs/dbraw/zinc/76/62/13/653766213.db2.gz UIZNALGTZFGZGH-UHFFFAOYSA-N 1 0 382.869 2.323 20 0 GEADRO COc1ncc(Br)cc1CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000865495158 653766796 /nfs/dbraw/zinc/76/67/96/653766796.db2.gz JSKDPVOPPVCRQA-JKSUJKDBSA-N 1 0 384.318 2.320 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC[C@@H]1[NH3+] ZINC000842799702 653768154 /nfs/dbraw/zinc/76/81/54/653768154.db2.gz ZQXFQRYNKXDQQE-ZJUUUORDSA-N 1 0 380.919 2.244 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000842805038 653768672 /nfs/dbraw/zinc/76/86/72/653768672.db2.gz UJSKSJRVYRALIQ-GFCCVEGCSA-N 1 0 395.294 2.393 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865567308 653768807 /nfs/dbraw/zinc/76/88/07/653768807.db2.gz HZUQEDCZAQPGMR-LBPRGKRZSA-N 1 0 390.347 2.265 20 0 GEADRO CC(C)n1ncc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1I ZINC000865608585 653769973 /nfs/dbraw/zinc/76/99/73/653769973.db2.gz LGHPBFJRGMZQNV-LLVKDONJSA-N 1 0 390.269 2.140 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000865620488 653770166 /nfs/dbraw/zinc/77/01/66/653770166.db2.gz XFIHZQGEOKTPDP-MRXNPFEDSA-N 1 0 382.302 2.181 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)/C=C\c1ccccc1Br ZINC000842850570 653770370 /nfs/dbraw/zinc/77/03/70/653770370.db2.gz BGGBQRVLJTYLSQ-JSIVBPPZSA-N 1 0 377.279 2.381 20 0 GEADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000842852052 653770426 /nfs/dbraw/zinc/77/04/26/653770426.db2.gz OOELHZDYZDMNKA-UHFFFAOYSA-N 1 0 384.914 2.241 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)[C@H]2C1 ZINC000820264852 653770458 /nfs/dbraw/zinc/77/04/58/653770458.db2.gz SQTOYRFFEKCLMG-RISCZKNCSA-N 1 0 377.238 2.332 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(Cc4ccccc4)c3Br)[C@@H]2C1 ZINC000820273420 653770697 /nfs/dbraw/zinc/77/06/97/653770697.db2.gz UJUCCPRNNOKEOK-GOEBONIOSA-N 1 0 389.297 2.470 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000820271453 653770710 /nfs/dbraw/zinc/77/07/10/653770710.db2.gz GCWWLLVRXFHTKP-JKOKRWQUSA-N 1 0 378.270 2.037 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000842871218 653771143 /nfs/dbraw/zinc/77/11/43/653771143.db2.gz NKFWQESDHFXQHU-AAEUAGOBSA-N 1 0 381.885 2.269 20 0 GEADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842876611 653771535 /nfs/dbraw/zinc/77/15/35/653771535.db2.gz VAVKGEXASBRBTQ-VXGBXAGGSA-N 1 0 388.946 2.450 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000842894606 653772490 /nfs/dbraw/zinc/77/24/90/653772490.db2.gz UYVILMDIIGWTTI-ZIAGYGMSSA-N 1 0 386.901 2.137 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3C(=O)Nc4c3cccc4Br)C2)C1 ZINC000820343642 653772666 /nfs/dbraw/zinc/77/26/66/653772666.db2.gz ZADGYDYLALZESB-SCLBCKFNSA-N 1 0 392.297 2.429 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000865718025 653772829 /nfs/dbraw/zinc/77/28/29/653772829.db2.gz RZRHEKOYWULXRD-DLBZAZTESA-N 1 0 394.313 2.321 20 0 GEADRO COc1nc(Br)ccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000789378351 653773100 /nfs/dbraw/zinc/77/31/00/653773100.db2.gz ORXWGMHNJAXKGA-AWEZNQCLSA-N 1 0 389.319 2.412 20 0 GEADRO Brc1nnc2ccc(NC3CC[NH+](Cc4cccnc4)CC3)nn12 ZINC000882268996 653773709 /nfs/dbraw/zinc/77/37/09/653773709.db2.gz GWSJFNXOTPFMAI-UHFFFAOYSA-N 1 0 388.273 2.358 20 0 GEADRO [NH3+]CCCCCCNS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000842922730 653774267 /nfs/dbraw/zinc/77/42/67/653774267.db2.gz TWOKVMMYXKNRRF-UHFFFAOYSA-N 1 0 393.303 2.018 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@H]3CCc4cccc(Br)c4C3)COCCN12 ZINC000865769791 653774396 /nfs/dbraw/zinc/77/43/96/653774396.db2.gz DJQKMFIQOKXDNW-GUYCJALGSA-N 1 0 381.270 2.117 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865771694 653774531 /nfs/dbraw/zinc/77/45/31/653774531.db2.gz YKQVDGVYLFVNES-MEDUHNTESA-N 1 0 387.249 2.330 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@H](C[NH+](C)C)C(C)C)c1cccc(Br)c1 ZINC000865798934 653775390 /nfs/dbraw/zinc/77/53/90/653775390.db2.gz BXCMXMIWNGGCGW-HZPDHXFCSA-N 1 0 384.318 2.329 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(Br)cc1S(N)(=O)=O ZINC000865800317 653775437 /nfs/dbraw/zinc/77/54/37/653775437.db2.gz IFNLHMUSSCRVCK-DGCLKSJQSA-N 1 0 388.331 2.160 20 0 GEADRO C/C(=C\c1ccc(Br)o1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000865801819 653775481 /nfs/dbraw/zinc/77/54/81/653775481.db2.gz DCFYXGGWDJKWHP-PCRWRXJSSA-N 1 0 384.318 2.445 20 0 GEADRO CC(C)(C[NH2+]Cc1ccc(Br)c2cccnc12)CS(N)(=O)=O ZINC000865813056 653775906 /nfs/dbraw/zinc/77/59/06/653775906.db2.gz DMSHGPXNWREKDX-UHFFFAOYSA-N 1 0 386.315 2.402 20 0 GEADRO CC(C)n1ncc(C(=O)NCC[N@H+](C)C(C)C)c1I ZINC000865819496 653776249 /nfs/dbraw/zinc/77/62/49/653776249.db2.gz LODRPPXRICBFEB-UHFFFAOYSA-N 1 0 378.258 2.139 20 0 GEADRO CC[N@H+](CCNC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)C(C)C ZINC000865819230 653776270 /nfs/dbraw/zinc/77/62/70/653776270.db2.gz PMYSRZAYJPMHAD-INIZCTEOSA-N 1 0 384.318 2.473 20 0 GEADRO C[N@@H+]1CCN(c2ccc3nnc(Br)n3n2)C[C@@H]1Cc1ccccc1 ZINC000882329388 653776498 /nfs/dbraw/zinc/77/64/98/653776498.db2.gz GSFZNUYWKLKVJB-AWEZNQCLSA-N 1 0 387.285 2.250 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000820551416 653776723 /nfs/dbraw/zinc/77/67/23/653776723.db2.gz HBFMCCPMVJDAQB-DGFSRKRXSA-N 1 0 380.286 2.426 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000820551417 653776785 /nfs/dbraw/zinc/77/67/85/653776785.db2.gz HBFMCCPMVJDAQB-RIEGTJTDSA-N 1 0 380.286 2.426 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000882346794 653777255 /nfs/dbraw/zinc/77/72/55/653777255.db2.gz VSSMJXPZZQIXAZ-UHFFFAOYSA-N 1 0 386.901 2.233 20 0 GEADRO CCN1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)[C@H](C)C1 ZINC000882350705 653777343 /nfs/dbraw/zinc/77/73/43/653777343.db2.gz PJUAWNFVPXDJKK-SECBINFHSA-N 1 0 383.212 2.099 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)cc1Cl ZINC000882350244 653777440 /nfs/dbraw/zinc/77/74/40/653777440.db2.gz JJFFXPJNFJSMKR-UHFFFAOYSA-N 1 0 375.878 2.233 20 0 GEADRO [NH3+]CCOc1cccc(NC(=O)C(=O)N2CCc3sc(Cl)cc3C2)c1 ZINC000843049726 653778032 /nfs/dbraw/zinc/77/80/32/653778032.db2.gz UPQBBZRWLSMRRN-UHFFFAOYSA-N 1 0 379.869 2.262 20 0 GEADRO CCOC(=O)C[C@H](CO)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000843076984 653778802 /nfs/dbraw/zinc/77/88/02/653778802.db2.gz ODYHZGRONCQRPP-IAQYHMDHSA-N 1 0 394.693 2.214 20 0 GEADRO OCCCN1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843089313 653778885 /nfs/dbraw/zinc/77/88/85/653778885.db2.gz QFFPVCJSIGTNQH-XJKSGUPXSA-N 1 0 375.282 2.058 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000865896266 653779166 /nfs/dbraw/zinc/77/91/66/653779166.db2.gz DOVDSWYXWNCKGV-MRXNPFEDSA-N 1 0 384.307 2.415 20 0 GEADRO O=S(=O)(CCO)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000843104492 653779480 /nfs/dbraw/zinc/77/94/80/653779480.db2.gz JDMWPPLWKYAQCW-QGZVFWFLSA-N 1 0 387.860 2.068 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC[C@](C)(O)c1ccc(Br)cc1F ZINC000843100667 653779490 /nfs/dbraw/zinc/77/94/90/653779490.db2.gz DWOBLDCEVQQKHG-YOEHRIQHSA-N 1 0 391.325 2.478 20 0 GEADRO C[C@](O)(C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(Br)cc1F ZINC000843105068 653779503 /nfs/dbraw/zinc/77/95/03/653779503.db2.gz RZXXANZABGILMB-HOTGVXAUSA-N 1 0 376.266 2.173 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)Cc1ccc(Br)cc1 ZINC000843109871 653779594 /nfs/dbraw/zinc/77/95/94/653779594.db2.gz HVCRACUVWXRTMH-CXAGYDPISA-N 1 0 383.261 2.457 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C2 ZINC000843116133 653779975 /nfs/dbraw/zinc/77/99/75/653779975.db2.gz WDNRWDYHFPJRHK-QAPCUYQASA-N 1 0 394.313 2.127 20 0 GEADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H](C)N2CCc3sccc3C2)C1 ZINC000789720933 653780387 /nfs/dbraw/zinc/78/03/87/653780387.db2.gz BCLXRFLIDURTTJ-AEGPPILISA-N 1 0 381.567 2.011 20 0 GEADRO CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)N2CCc3sccc3C2)C1 ZINC000789720935 653780451 /nfs/dbraw/zinc/78/04/51/653780451.db2.gz BCLXRFLIDURTTJ-BPLDGKMQSA-N 1 0 381.567 2.011 20 0 GEADRO CC(C)([NH3+])Cc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000843200837 653781177 /nfs/dbraw/zinc/78/11/77/653781177.db2.gz LMNNHVADODOECX-UHFFFAOYSA-N 1 0 378.230 2.352 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(Br)no1 ZINC000865972139 653781876 /nfs/dbraw/zinc/78/18/76/653781876.db2.gz NDOSGHUQZNRYSV-CQSZACIVSA-N 1 0 394.269 2.324 20 0 GEADRO F[C@]1(c2nc(COc3ccc(I)cc3)no2)CC[NH2+]C1 ZINC000843227304 653781925 /nfs/dbraw/zinc/78/19/25/653781925.db2.gz XWFBLLZOMQXIOD-CYBMUJFWSA-N 1 0 389.168 2.411 20 0 GEADRO O=S(=O)(Cc1noc(C[C@H]2CSCC[NH2+]2)n1)Cc1ccc(Cl)cc1 ZINC000843238928 653782141 /nfs/dbraw/zinc/78/21/41/653782141.db2.gz AIBVZNIUVUZTBK-ZDUSSCGKSA-N 1 0 387.914 2.086 20 0 GEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)no1 ZINC000865978435 653782229 /nfs/dbraw/zinc/78/22/29/653782229.db2.gz UQFRYIPZMYXRTR-KRWDZBQOSA-N 1 0 394.269 2.146 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCCCCCC[NH3+] ZINC000843258223 653782331 /nfs/dbraw/zinc/78/23/31/653782331.db2.gz BAPWUVMKKWUJKI-UHFFFAOYSA-N 1 0 384.318 2.317 20 0 GEADRO COC(=O)[C@@H]1CN(c2ccc([S@@](=N)(=O)C(F)(F)F)cc2)CC[N@H+](C)C1 ZINC000882450981 653782636 /nfs/dbraw/zinc/78/26/36/653782636.db2.gz BCROCSXODKJSBE-JPQMIFPKSA-N 1 0 379.404 2.153 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000789950596 653783338 /nfs/dbraw/zinc/78/33/38/653783338.db2.gz SBFPKGUOBQOBIO-UHFFFAOYSA-N 1 0 386.949 2.497 20 0 GEADRO CCc1n[nH]c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1Br ZINC000789950469 653783474 /nfs/dbraw/zinc/78/34/74/653783474.db2.gz QIGONODYETYASM-GFCCVEGCSA-N 1 0 385.306 2.108 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)c2cccnc2I)CC1 ZINC000882508158 653785615 /nfs/dbraw/zinc/78/56/15/653785615.db2.gz WCEIAFAXKRQFSY-UHFFFAOYSA-N 1 0 385.249 2.387 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c(=O)n1C ZINC000882509433 653785918 /nfs/dbraw/zinc/78/59/18/653785918.db2.gz QEOCNUQGMFAVRZ-UHFFFAOYSA-N 1 0 382.302 2.157 20 0 GEADRO CCN(C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1)[C@H](C)CS(=O)(=O)CC ZINC000843439117 653787012 /nfs/dbraw/zinc/78/70/12/653787012.db2.gz ATAWIWLRWLQWSD-TZMCWYRMSA-N 1 0 375.922 2.105 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)/C=C\c3ccc(I)o3)C[C@@H]21 ZINC000843454069 653787336 /nfs/dbraw/zinc/78/73/36/653787336.db2.gz IZLQZUCHYBKRCK-NSZCYEILSA-N 1 0 386.233 2.483 20 0 GEADRO [NH3+]CCCCCCC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000843494253 653788225 /nfs/dbraw/zinc/78/82/25/653788225.db2.gz ZJZJATGPARBPBW-INIZCTEOSA-N 1 0 382.302 2.358 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCCCCC[NH3+] ZINC000843509577 653788807 /nfs/dbraw/zinc/78/88/07/653788807.db2.gz LDFXPKXKBQWCKB-SNVBAGLBSA-N 1 0 376.320 2.264 20 0 GEADRO COc1ccc(Br)cc1C1(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000843509381 653788828 /nfs/dbraw/zinc/78/88/28/653788828.db2.gz XLEHWXNWPIVNCL-CYBMUJFWSA-N 1 0 383.286 2.332 20 0 GEADRO [NH3+]CCCCCCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000843509313 653788868 /nfs/dbraw/zinc/78/88/68/653788868.db2.gz INTBAHDSRKQVIN-HNNXBMFYSA-N 1 0 382.302 2.437 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2cc(Br)ccc2C1 ZINC000790290470 653788946 /nfs/dbraw/zinc/78/89/46/653788946.db2.gz MDQIJPGKHBSDSL-DLBZAZTESA-N 1 0 394.313 2.380 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1csc(Br)n1 ZINC000821042677 653789427 /nfs/dbraw/zinc/78/94/27/653789427.db2.gz JXARCTFCUCOOQC-STQMWFEESA-N 1 0 388.331 2.403 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cnc1C1CC1 ZINC000821052479 653789533 /nfs/dbraw/zinc/78/95/33/653789533.db2.gz MRUCSSZFTCCHOZ-CQSZACIVSA-N 1 0 382.302 2.298 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2nc(Br)c3ccccn32)CC1 ZINC000821270026 653793384 /nfs/dbraw/zinc/79/33/84/653793384.db2.gz JFEGVHRUFKPSPJ-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000866417206 653793969 /nfs/dbraw/zinc/79/39/69/653793969.db2.gz LEZAMEFVOJWLJS-CYBMUJFWSA-N 1 0 387.571 2.022 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000790597433 653793936 /nfs/dbraw/zinc/79/39/36/653793936.db2.gz ZWRCNSVZSRZGQF-IRXDYDNUSA-N 1 0 381.314 2.358 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000866427380 653794708 /nfs/dbraw/zinc/79/47/08/653794708.db2.gz KMXYYDSVNLZXCR-UHFFFAOYSA-N 1 0 395.897 2.251 20 0 GEADRO Cc1c(Cl)c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)sc1S(N)(=O)=O ZINC000843840515 653795404 /nfs/dbraw/zinc/79/54/04/653795404.db2.gz CPHCYXKZDBWUDD-SNVBAGLBSA-N 1 0 393.962 2.160 20 0 GEADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000866453834 653796556 /nfs/dbraw/zinc/79/65/56/653796556.db2.gz WCJBLFZKKDVWSG-DEOSSOPVSA-N 1 0 391.534 2.332 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000790834005 653798175 /nfs/dbraw/zinc/79/81/75/653798175.db2.gz INVOJBIHYNKPFI-IJEWVQPXSA-N 1 0 377.360 2.238 20 0 GEADRO O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000866521135 653800495 /nfs/dbraw/zinc/80/04/95/653800495.db2.gz HYIDWHACXAYWNW-BFYDXBDKSA-N 1 0 377.535 2.208 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cn3c(Br)cnc3s1)CCO2 ZINC000844094712 653801383 /nfs/dbraw/zinc/80/13/83/653801383.db2.gz QLBCYHVOWWHRRX-UHFFFAOYSA-N 1 0 399.314 2.095 20 0 GEADRO CC(C)(C[NH2+][C@@H](c1nc(Br)cs1)C1CC1)CS(N)(=O)=O ZINC000866571216 653802637 /nfs/dbraw/zinc/80/26/37/653802637.db2.gz AUZAVHHZGKFLSU-SNVBAGLBSA-N 1 0 382.349 2.261 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2)(C(F)(F)F)CC1 ZINC000821654341 653802902 /nfs/dbraw/zinc/80/29/02/653802902.db2.gz BSYLXICWOPJNNT-UHFFFAOYSA-N 1 0 378.416 2.237 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844201020 653803259 /nfs/dbraw/zinc/80/32/59/653803259.db2.gz KIBJKNHPTUWEND-ZIAGYGMSSA-N 1 0 378.523 2.314 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cccn2c(I)cnc12 ZINC000844197979 653803279 /nfs/dbraw/zinc/80/32/79/653803279.db2.gz BXELZUBLYFWHAK-SNVBAGLBSA-N 1 0 386.237 2.042 20 0 GEADRO CNS(=O)(=O)C1CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000844298110 653804665 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CCn1ncc(C(=O)NCC2(SC)CC[NH+](C)CC2)c1Br ZINC000823019017 653850497 /nfs/dbraw/zinc/85/04/97/653850497.db2.gz FRJBJWVDGNGSJN-UHFFFAOYSA-N 1 0 375.336 2.223 20 0 GEADRO Cn1cc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c(I)n1 ZINC000895806818 653851046 /nfs/dbraw/zinc/85/10/46/653851046.db2.gz IQDNQTZRNLTLKE-GFCCVEGCSA-N 1 0 375.254 2.464 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C1 ZINC000823045383 653851318 /nfs/dbraw/zinc/85/13/18/653851318.db2.gz VUIATTGQYBAQGK-HNNXBMFYSA-N 1 0 382.302 2.146 20 0 GEADRO COC[C@@]1(c2nc(CC(=O)Nc3cc(Cl)cc(Cl)c3)no2)CC[NH2+]C1 ZINC000823042554 653851336 /nfs/dbraw/zinc/85/13/36/653851336.db2.gz HVMQLOUNEKHZLQ-MRXNPFEDSA-N 1 0 385.251 2.435 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000895853151 653852841 /nfs/dbraw/zinc/85/28/41/653852841.db2.gz DLVBZPSETXUJPQ-NXEZZACHSA-N 1 0 390.269 2.173 20 0 GEADRO CNC(=O)C1([NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOCC1 ZINC000895883094 653855401 /nfs/dbraw/zinc/85/54/01/653855401.db2.gz AZKHCBWTRAUWJL-UHFFFAOYSA-N 1 0 381.270 2.110 20 0 GEADRO O=C(NCCc1cc(Br)ccc1F)C1C[NH+](C2CCOCC2)C1 ZINC000895894159 653856021 /nfs/dbraw/zinc/85/60/21/653856021.db2.gz IGVXCMPTQYREMY-UHFFFAOYSA-N 1 0 385.277 2.358 20 0 GEADRO C[NH+](C)CC[C@@H](Nc1ccc2nnc(Br)n2n1)c1cccnc1 ZINC000895890063 653856110 /nfs/dbraw/zinc/85/61/10/653856110.db2.gz BXBMCBRKWXCILF-GFCCVEGCSA-N 1 0 376.262 2.387 20 0 GEADRO NS(=O)(=O)c1ccc(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)s1 ZINC000895908341 653856275 /nfs/dbraw/zinc/85/62/75/653856275.db2.gz IHGGDBKYTXIDIL-IAGOWNOFSA-N 1 0 380.535 2.354 20 0 GEADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)c2ccccc2O1 ZINC000866962647 653856279 /nfs/dbraw/zinc/85/62/79/653856279.db2.gz PVCPYXRKZLOLOI-LLVKDONJSA-N 1 0 385.848 2.392 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)c2c[nH]nc2I)CC1 ZINC000895921948 653857107 /nfs/dbraw/zinc/85/71/07/653857107.db2.gz DCJAFEXICAYDKJ-UHFFFAOYSA-N 1 0 376.242 2.009 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)nc1Br ZINC000792953587 653857380 /nfs/dbraw/zinc/85/73/80/653857380.db2.gz RLOZNJVEJJNOBP-WCQYABFASA-N 1 0 397.317 2.328 20 0 GEADRO O=C(NCc1noc([C@@H]2C[C@@]23CC[NH2+]C3)n1)c1ccc(Br)cc1 ZINC000823200347 653857468 /nfs/dbraw/zinc/85/74/68/653857468.db2.gz ULFCTAJEXWMFHY-BLLLJJGKSA-N 1 0 377.242 2.229 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)nc1Br ZINC000792962453 653857650 /nfs/dbraw/zinc/85/76/50/653857650.db2.gz HEMJOVSGTHIOGF-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)nc1Br ZINC000792965259 653857882 /nfs/dbraw/zinc/85/78/82/653857882.db2.gz FOORKUDLXMCTRN-CYBMUJFWSA-N 1 0 395.301 2.178 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc4nc(Cl)ncc4s3)CC[C@H]21 ZINC000866972013 653858186 /nfs/dbraw/zinc/85/81/86/653858186.db2.gz LTNNHVUXIQYUTJ-CMPLNLGQSA-N 1 0 386.930 2.450 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc4nc(Cl)ncc4s3)CC[C@@H]21 ZINC000866972015 653858317 /nfs/dbraw/zinc/85/83/17/653858317.db2.gz LTNNHVUXIQYUTJ-PWSUYJOCSA-N 1 0 386.930 2.450 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884004936 653860087 /nfs/dbraw/zinc/86/00/87/653860087.db2.gz PJEVMCWIACKXAS-SECBINFHSA-N 1 0 384.665 2.247 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884025213 653860755 /nfs/dbraw/zinc/86/07/55/653860755.db2.gz PQEZVSQYWCGPIH-MEBBXXQBSA-N 1 0 381.270 2.116 20 0 GEADRO Cc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc1Br ZINC000823283316 653860958 /nfs/dbraw/zinc/86/09/58/653860958.db2.gz WBASMBRXAVHGEK-ZDUSSCGKSA-N 1 0 383.290 2.215 20 0 GEADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000845740528 653861540 /nfs/dbraw/zinc/86/15/40/653861540.db2.gz PAMKYIKEMMDNBW-JSGCOSHPSA-N 1 0 388.917 2.423 20 0 GEADRO Cc1ccc(-n2nc(Br)cc2-c2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823310542 653862018 /nfs/dbraw/zinc/86/20/18/653862018.db2.gz ZGBNFVHXCCPXOI-UHFFFAOYSA-N 1 0 389.257 2.403 20 0 GEADRO O=C1C[C@H](c2nc(N3CC[NH2+]CC3)no2)CN1c1cc(Cl)cc(Cl)c1 ZINC000823315058 653862318 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CCCN(C(=O)Cc1csc(S[C@H](CC)C(N)=O)n1)C1CC[NH2+]CC1 ZINC000884175254 653866638 /nfs/dbraw/zinc/86/66/38/653866638.db2.gz NGUIQAUTOKJJKT-CQSZACIVSA-N 1 0 384.571 2.032 20 0 GEADRO [NH3+][C@@H](CC1CC1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000884193852 653867397 /nfs/dbraw/zinc/86/73/97/653867397.db2.gz RBBJFYJSIOIFSC-JSGCOSHPSA-N 1 0 395.301 2.149 20 0 GEADRO [NH3+][C@@H](C(=O)NC1CCN(CC(F)F)CC1)c1ccc(Br)cc1 ZINC000884204013 653867978 /nfs/dbraw/zinc/86/79/78/653867978.db2.gz LCWSXPCYOLBDRB-CQSZACIVSA-N 1 0 376.245 2.295 20 0 GEADRO N[C@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Br)cc1 ZINC000884212962 653868119 /nfs/dbraw/zinc/86/81/19/653868119.db2.gz QNHONANFGGXJPD-INIZCTEOSA-N 1 0 396.329 2.210 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]([NH3+])CCOC)CC1 ZINC000884212540 653868307 /nfs/dbraw/zinc/86/83/07/653868307.db2.gz ICOIOQXTDWVOPF-SJORKVTESA-N 1 0 398.345 2.408 20 0 GEADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884237034 653868966 /nfs/dbraw/zinc/86/89/66/653868966.db2.gz OZJDIHDMYHAKTG-HUORLRHWSA-N 1 0 393.281 2.401 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(Cc2ccccn2)CC1)c1ccc(Br)cc1 ZINC000884233233 653868988 /nfs/dbraw/zinc/86/89/88/653868988.db2.gz MELAMFYYKOIRLM-QGZVFWFLSA-N 1 0 389.297 2.188 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884253263 653869315 /nfs/dbraw/zinc/86/93/15/653869315.db2.gz DROUICPLMYALGW-UHFFFAOYSA-N 1 0 396.676 2.333 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000823464123 653869567 /nfs/dbraw/zinc/86/95/67/653869567.db2.gz URQQLLIWARSOOQ-INIZCTEOSA-N 1 0 399.329 2.299 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)N[C@@H]3[C@H]4Cc5ccc(Br)cc5[C@@H]34)C[C@H]2C1 ZINC000896257701 653871095 /nfs/dbraw/zinc/87/10/95/653871095.db2.gz RPFRJASXQPZOER-NCZBFZFDSA-N 1 0 376.298 2.290 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)Nc2ccc3c(c2)C[NH2+]C3)cs1)C(N)=O ZINC000884299730 653871272 /nfs/dbraw/zinc/87/12/72/653871272.db2.gz CVZGSBQSLSMMOH-CQSZACIVSA-N 1 0 376.507 2.284 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(Cc2cccnc2)CC1)c1ccc(Br)cc1 ZINC000884306260 653871358 /nfs/dbraw/zinc/87/13/58/653871358.db2.gz ZHNFZTYXRZBKKL-QGZVFWFLSA-N 1 0 389.297 2.188 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)NCCn2cc(Br)cn2)CC1 ZINC000884343551 653873476 /nfs/dbraw/zinc/87/34/76/653873476.db2.gz CNPHBIBQJOEANT-UHFFFAOYSA-N 1 0 384.322 2.306 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](O)c1ccco1 ZINC000823630221 653874645 /nfs/dbraw/zinc/87/46/45/653874645.db2.gz FXRKBWQTJOIGOH-FZMZJTMJSA-N 1 0 397.269 2.379 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCn2c(CC3CC3)nnc2C1)c1ccc(Br)cc1 ZINC000884383247 653874759 /nfs/dbraw/zinc/87/47/59/653874759.db2.gz DTWJBDMFBWCVAR-MRXNPFEDSA-N 1 0 390.285 2.035 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000884462555 653877564 /nfs/dbraw/zinc/87/75/64/653877564.db2.gz IBTDADYFTNVQLU-UKRRQHHQSA-N 1 0 395.297 2.425 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1 ZINC000884468954 653877833 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Cc1cc([C@H](C)NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(C)s1 ZINC000884579379 653881913 /nfs/dbraw/zinc/88/19/13/653881913.db2.gz XYQAUGVEFCSYJU-NDMJEZRESA-N 1 0 377.432 2.138 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000867121065 653882111 /nfs/dbraw/zinc/88/21/11/653882111.db2.gz KDVJTIDSRLGJBY-UHFFFAOYSA-N 1 0 395.356 2.083 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000793685781 653882438 /nfs/dbraw/zinc/88/24/38/653882438.db2.gz CNEFULLUCKIAMZ-LLVKDONJSA-N 1 0 379.498 2.272 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccccc1Br)[NH+]1CCCCC1 ZINC000793699125 653882728 /nfs/dbraw/zinc/88/27/28/653882728.db2.gz MDDBZXZLXBJODO-CQSZACIVSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@H](NC(=O)CCc1cc(F)ccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896547378 653884717 /nfs/dbraw/zinc/88/47/17/653884717.db2.gz DWMYJZYKYSOXKZ-LRDDRELGSA-N 1 0 386.309 2.271 20 0 GEADRO C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896557532 653885431 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377.794 2.363 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC[N@@H+]1C ZINC000896668320 653889941 /nfs/dbraw/zinc/88/99/41/653889941.db2.gz SCCBIEUVFZZMLL-WDBKCZKBSA-N 1 0 381.270 2.130 20 0 GEADRO O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000824301076 653891022 /nfs/dbraw/zinc/89/10/22/653891022.db2.gz LXZWFWXVQNRYHG-LSDHHAIUSA-N 1 0 399.716 2.412 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NCCC[C@@H]3CC3(Cl)Cl)C2)nn1 ZINC000846210337 653891350 /nfs/dbraw/zinc/89/13/50/653891350.db2.gz YUOUBEIIWHOIBZ-DGCLKSJQSA-N 1 0 375.304 2.057 20 0 GEADRO [NH3+]CCCCCCN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000846217392 653891747 /nfs/dbraw/zinc/89/17/47/653891747.db2.gz GHDSGJMJYXKCGF-UHFFFAOYSA-N 1 0 377.913 2.305 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC1 ZINC000846228773 653891856 /nfs/dbraw/zinc/89/18/56/653891856.db2.gz DGPGOBDMUVRUOK-UHFFFAOYSA-N 1 0 389.930 2.339 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3c(Cl)ccnc3Cl)C2)C1 ZINC000846232543 653892459 /nfs/dbraw/zinc/89/24/59/653892459.db2.gz WJCJNUAQEOATAC-WZRBSPASSA-N 1 0 394.324 2.295 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000846234815 653892792 /nfs/dbraw/zinc/89/27/92/653892792.db2.gz LTCZGYNRDRDJFP-SWHYSGLUSA-N 1 0 394.324 2.438 20 0 GEADRO C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)c1ccns1)c1ccccc1O2 ZINC000884922956 653895071 /nfs/dbraw/zinc/89/50/71/653895071.db2.gz IVPVFDYCYQVMQN-CQSZACIVSA-N 1 0 379.507 2.410 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884925785 653895432 /nfs/dbraw/zinc/89/54/32/653895432.db2.gz HRQVWTXGPSLAOG-MQMHXKEQSA-N 1 0 382.302 2.041 20 0 GEADRO C[C@@H]1C[N@@H+](Cc2ccc(CNS(=O)(=O)c3ccns3)cc2)C[C@H](C)O1 ZINC000884926956 653895453 /nfs/dbraw/zinc/89/54/53/653895453.db2.gz HOLSGAMNCIHISE-OKILXGFUSA-N 1 0 381.523 2.231 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnc(Cl)c(Br)c1 ZINC000884957221 653898155 /nfs/dbraw/zinc/89/81/55/653898155.db2.gz MTEHNHUBXKKDPN-VHSXEESVSA-N 1 0 394.722 2.403 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000824542889 653900976 /nfs/dbraw/zinc/90/09/76/653900976.db2.gz CUQYXSLSEPYSRQ-ZDUSSCGKSA-N 1 0 386.290 2.210 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000884977485 653902774 /nfs/dbraw/zinc/90/27/74/653902774.db2.gz UQUJBFADKFQZOD-ZANVPECISA-N 1 0 377.794 2.171 20 0 GEADRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000884990968 653903688 /nfs/dbraw/zinc/90/36/88/653903688.db2.gz ONOUXYMLPBCYDZ-JSGCOSHPSA-N 1 0 385.555 2.458 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000824651116 653904404 /nfs/dbraw/zinc/90/44/04/653904404.db2.gz ATRGNEIJFLKNNK-NSHDSACASA-N 1 0 380.290 2.342 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824678191 653904902 /nfs/dbraw/zinc/90/49/02/653904902.db2.gz OUQQFRLZXUKDAK-QLFBSQMISA-N 1 0 377.551 2.082 20 0 GEADRO Cc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nc1Br ZINC000794360645 653905463 /nfs/dbraw/zinc/90/54/63/653905463.db2.gz YBGMOCWXBVAXMZ-CYBMUJFWSA-N 1 0 383.290 2.339 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccnc2cc(Br)cnc21 ZINC000897218452 653910672 /nfs/dbraw/zinc/91/06/72/653910672.db2.gz CTCITGNMTHVLSG-HUUCEWRRSA-N 1 0 377.286 2.428 20 0 GEADRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)C2CCOCC2)C1 ZINC000824904161 653912272 /nfs/dbraw/zinc/91/22/72/653912272.db2.gz VBVRPDCRCPRRCE-JKSUJKDBSA-N 1 0 375.531 2.072 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C[N@@H+]1CCn2ncc(I)c2C1 ZINC000897289262 653914453 /nfs/dbraw/zinc/91/44/53/653914453.db2.gz NZRBFOAZXRBELN-LDYMZIIASA-N 1 0 396.070 2.477 20 0 GEADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000867349821 653919858 /nfs/dbraw/zinc/91/98/58/653919858.db2.gz VKOQHUMCLRZTPB-UHFFFAOYSA-N 1 0 392.880 2.371 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000825187634 653919977 /nfs/dbraw/zinc/91/99/77/653919977.db2.gz BLMIAYBYOQSDRQ-STQMWFEESA-N 1 0 387.933 2.228 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(Br)cnc1Br ZINC000825182218 653920104 /nfs/dbraw/zinc/92/01/04/653920104.db2.gz YXSOHHLBDOQTIN-UHFFFAOYSA-N 1 0 377.080 2.240 20 0 GEADRO CCn1ncc(C(=O)N2CCN[C@@H](c3cccc(OC)c3)C2)c1Br ZINC000825208748 653921033 /nfs/dbraw/zinc/92/10/33/653921033.db2.gz PVGMMHWQXMTLLK-OAHLLOKOSA-N 1 0 393.285 2.461 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000825249477 653922777 /nfs/dbraw/zinc/92/27/77/653922777.db2.gz ITZCAFVCUDUMBX-OAHLLOKOSA-N 1 0 387.933 2.239 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897524647 653925428 /nfs/dbraw/zinc/92/54/28/653925428.db2.gz AHIKPVCOVNZSHA-SMDDNHRTSA-N 1 0 383.286 2.356 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)C1CCS(=O)(=O)CC1 ZINC000825342785 653925641 /nfs/dbraw/zinc/92/56/41/653925641.db2.gz GNSNLAKZTFSYCT-ABAIWWIYSA-N 1 0 376.316 2.285 20 0 GEADRO Cn1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1=O ZINC000825341103 653925650 /nfs/dbraw/zinc/92/56/50/653925650.db2.gz YHOAXWQMSRLCAA-GFCCVEGCSA-N 1 0 382.302 2.285 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)C1CCS(=O)(=O)CC1 ZINC000825342786 653925678 /nfs/dbraw/zinc/92/56/78/653925678.db2.gz GNSNLAKZTFSYCT-IAQYHMDHSA-N 1 0 376.316 2.285 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)NCCCCn1cc(Br)cn1 ZINC000794991713 653926485 /nfs/dbraw/zinc/92/64/85/653926485.db2.gz QBGRPZFCLDNZME-UHFFFAOYSA-N 1 0 390.395 2.478 20 0 GEADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847411792 653927780 /nfs/dbraw/zinc/92/77/80/653927780.db2.gz HOZYIFBRJZMJAR-UHOFOFEASA-N 1 0 384.318 2.464 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000897576697 653928574 /nfs/dbraw/zinc/92/85/74/653928574.db2.gz MHDOZQCBDGPZFH-NSHDSACASA-N 1 0 388.253 2.069 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cnc(F)c(Br)c1 ZINC000847446374 653929001 /nfs/dbraw/zinc/92/90/01/653929001.db2.gz GFRZUINZSNCCTA-UHFFFAOYSA-N 1 0 376.270 2.414 20 0 GEADRO C[N@H+](CCNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)C1CC1 ZINC000795080485 653929387 /nfs/dbraw/zinc/92/93/87/653929387.db2.gz KZWGTZHHCGMPLP-UHFFFAOYSA-N 1 0 387.299 2.196 20 0 GEADRO CC[NH+]1CCC(NC(=O)CSc2cccc(Cl)c2-c2nn[nH]n2)CC1 ZINC000825452858 653929932 /nfs/dbraw/zinc/92/99/32/653929932.db2.gz RMLMQGCQZNJAMH-UHFFFAOYSA-N 1 0 380.905 2.213 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847499845 653931403 /nfs/dbraw/zinc/93/14/03/653931403.db2.gz WQDTWOOBIPSVEB-GFCCVEGCSA-N 1 0 378.416 2.394 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(Br)cn3ncnc23)C12CCC2 ZINC000825518799 653932254 /nfs/dbraw/zinc/93/22/54/653932254.db2.gz DPRRRZNQQHEWHG-OLZOCXBDSA-N 1 0 378.274 2.094 20 0 GEADRO O=C(N[C@H]1CCOc2c(Br)cccc21)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897669324 653932489 /nfs/dbraw/zinc/93/24/89/653932489.db2.gz QVJJUGBUCQQTTA-WFASDCNBSA-N 1 0 381.270 2.110 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cnc1Br ZINC000847607694 653936934 /nfs/dbraw/zinc/93/69/34/653936934.db2.gz MDDHRASRGJJJQI-ZIAGYGMSSA-N 1 0 395.301 2.224 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847606472 653937025 /nfs/dbraw/zinc/93/70/25/653937025.db2.gz DUUUIUMSUPSTJS-ZIAGYGMSSA-N 1 0 395.301 2.224 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000847608813 653937205 /nfs/dbraw/zinc/93/72/05/653937205.db2.gz YHEOGSDYJWMQJK-QWHCGFSZSA-N 1 0 395.301 2.224 20 0 GEADRO C[C@H]1CN(C(=O)c2nc(F)ccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000847630710 653938592 /nfs/dbraw/zinc/93/85/92/653938592.db2.gz RKZAYNYYSGWMFK-JSGCOSHPSA-N 1 0 399.308 2.081 20 0 GEADRO C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1I)C[NH+](C)C ZINC000897823883 653939217 /nfs/dbraw/zinc/93/92/17/653939217.db2.gz ONBZVDVBCKDJDY-JTQLQIEISA-N 1 0 392.285 2.170 20 0 GEADRO COc1cc(C[NH2+][C@H]2CC23CC(O)C3)cc(I)c1OC ZINC000897851163 653940547 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Cc1c(Br)cccc1CS(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886897745 654008166 /nfs/dbraw/zinc/00/81/66/654008166.db2.gz GYFYXOZLMBFMNK-GFCCVEGCSA-N 1 0 397.285 2.422 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000886899731 654008344 /nfs/dbraw/zinc/00/83/44/654008344.db2.gz SCXZRTORDVENQF-KRWDZBQOSA-N 1 0 385.917 2.453 20 0 GEADRO CC(C)N1C(=S)N=NC1CCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000849225841 654008451 /nfs/dbraw/zinc/00/84/51/654008451.db2.gz DWOCZTKXHLKYMQ-GFCCVEGCSA-N 1 0 382.559 2.354 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000886899650 654008452 /nfs/dbraw/zinc/00/84/52/654008452.db2.gz QCOHWSJDZNWFQO-QGZVFWFLSA-N 1 0 386.901 2.281 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000886934415 654009641 /nfs/dbraw/zinc/00/96/41/654009641.db2.gz WGIPAKZBVVXHKX-VIFPVBQESA-N 1 0 396.847 2.078 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000867960169 654010820 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654017489 /nfs/dbraw/zinc/01/74/89/654017489.db2.gz MWRTYGUKTSOGLO-MNOVXSKESA-N 1 0 381.466 2.299 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)CCCF)c1 ZINC000887137358 654021373 /nfs/dbraw/zinc/02/13/73/654021373.db2.gz FKVTVLOPWZQPKT-UHFFFAOYSA-N 1 0 379.885 2.210 20 0 GEADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000828118292 654024687 /nfs/dbraw/zinc/02/46/87/654024687.db2.gz KZHBNVGDPPMLSV-SJORKVTESA-N 1 0 379.913 2.500 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2OC)CC1 ZINC000868246671 654024961 /nfs/dbraw/zinc/02/49/61/654024961.db2.gz RAPNGFYELAQWRR-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)c(F)cc1Br ZINC000868287767 654027717 /nfs/dbraw/zinc/02/77/17/654027717.db2.gz KFVAZWYBPBHJIB-UHFFFAOYSA-N 1 0 384.249 2.317 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)cc1Br ZINC000868290995 654028093 /nfs/dbraw/zinc/02/80/93/654028093.db2.gz XLINFLARFKACIF-UHFFFAOYSA-N 1 0 396.285 2.269 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000868290477 654028125 /nfs/dbraw/zinc/02/81/25/654028125.db2.gz YLAWFDQRTOKQSX-UHFFFAOYSA-N 1 0 388.212 2.148 20 0 GEADRO O=C(NCCSCCC(F)(F)F)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000868301044 654028745 /nfs/dbraw/zinc/02/87/45/654028745.db2.gz ALZXEYMNJOGCFY-UHFFFAOYSA-N 1 0 375.416 2.073 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000868302968 654029015 /nfs/dbraw/zinc/02/90/15/654029015.db2.gz PQWDQPHSMCSKOA-WKFQBHICSA-N 1 0 394.191 2.260 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000868303846 654029415 /nfs/dbraw/zinc/02/94/15/654029415.db2.gz QTHDMFKDCGZJPD-KLPPZKSPSA-N 1 0 384.274 2.028 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000868304334 654029455 /nfs/dbraw/zinc/02/94/55/654029455.db2.gz HMRQSQGBEXSJIH-KYZUINATSA-N 1 0 377.844 2.489 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000868304631 654029461 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GEADRO C[NH+](C)C[C@@H](NC(=O)Cn1ccc(Br)cc1=O)c1ccc(F)cc1 ZINC000868348593 654032154 /nfs/dbraw/zinc/03/21/54/654032154.db2.gz SXSQHPHZIUADJQ-OAHLLOKOSA-N 1 0 396.260 2.169 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1nc(C2CC2)ncc1Br ZINC000887404127 654032808 /nfs/dbraw/zinc/03/28/08/654032808.db2.gz WISGRTMKMKIBIJ-SECBINFHSA-N 1 0 375.217 2.091 20 0 GEADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(I)c[nH]1 ZINC000899811889 654032904 /nfs/dbraw/zinc/03/29/04/654032904.db2.gz YSULHPDGCSHSLB-NSHDSACASA-N 1 0 396.232 2.365 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC(C)=C(Br)C2)CC1 ZINC000797464933 654034235 /nfs/dbraw/zinc/03/42/35/654034235.db2.gz IPTDTZZZQCMLJQ-CQSZACIVSA-N 1 0 387.366 2.344 20 0 GEADRO [NH3+][C@@H]1CCCN(Cc2cn(CC(=O)Nc3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000887432625 654034535 /nfs/dbraw/zinc/03/45/35/654034535.db2.gz RYRACPKKXILKJP-LLVKDONJSA-N 1 0 383.283 2.147 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868420790 654035014 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COc1cc(-c2noc(C[C@@H]([NH3+])Cc3ccc(Br)cc3)n2)ncn1 ZINC000900016909 654046802 /nfs/dbraw/zinc/04/68/02/654046802.db2.gz SQLJPXHHYMXCDO-LBPRGKRZSA-N 1 0 390.241 2.410 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000868647074 654048046 /nfs/dbraw/zinc/04/80/46/654048046.db2.gz CSKYIKFSRZCFAX-IXDOHACOSA-N 1 0 394.313 2.109 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000900164954 654052328 /nfs/dbraw/zinc/05/23/28/654052328.db2.gz ANZOLLXUBAWRSS-RUSTZOOPSA-N 1 0 376.341 2.467 20 0 GEADRO O=C([C@H](O)c1cccc(Br)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000900226736 654054399 /nfs/dbraw/zinc/05/43/99/654054399.db2.gz GSRVRLRAWDMLQV-QGZVFWFLSA-N 1 0 397.313 2.053 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000868761464 654055080 /nfs/dbraw/zinc/05/50/80/654055080.db2.gz CRHDEILZHYFSAN-HWRSSNJWSA-N 1 0 383.480 2.394 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000868801914 654056759 /nfs/dbraw/zinc/05/67/59/654056759.db2.gz MJUARTWFDCWSCC-INIZCTEOSA-N 1 0 395.301 2.013 20 0 GEADRO O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000798252796 654057135 /nfs/dbraw/zinc/05/71/35/654057135.db2.gz COQGWKCQSRYJKH-AWEZNQCLSA-N 1 0 377.491 2.106 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)C[C@]2(C)C1 ZINC000887921955 654058694 /nfs/dbraw/zinc/05/86/94/654058694.db2.gz UZXCMMXLYNNXMW-PXAZEXFGSA-N 1 0 375.270 2.416 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)/C=C\c3ccc(I)o3)C[C@]2(C)C1 ZINC000887922020 654058780 /nfs/dbraw/zinc/05/87/80/654058780.db2.gz VZVHIWUOKCDRQC-XGHHZIIFSA-N 1 0 386.233 2.308 20 0 GEADRO CC(=O)N[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000868850772 654058825 /nfs/dbraw/zinc/05/88/25/654058825.db2.gz WUXKBGZWZXSIKP-RHSMWYFYSA-N 1 0 396.329 2.474 20 0 GEADRO COc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc(Br)c1OC ZINC000887926679 654058977 /nfs/dbraw/zinc/05/89/77/654058977.db2.gz TXOPSENJAWNVHI-YVEFUNNKSA-N 1 0 383.286 2.490 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cn(-c4ccccc4Br)nn3)C[C@]2(C)C1 ZINC000887935167 654059462 /nfs/dbraw/zinc/05/94/62/654059462.db2.gz LKJKTQQKUJMFAN-PXAZEXFGSA-N 1 0 390.285 2.054 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)NCc2c(Br)cnn2C)CC1 ZINC000868876794 654060530 /nfs/dbraw/zinc/06/05/30/654060530.db2.gz GSMFXXHUISHZPW-UHFFFAOYSA-N 1 0 386.338 2.492 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)NCCc1cc(Br)ccc1F ZINC000900388781 654061749 /nfs/dbraw/zinc/06/17/49/654061749.db2.gz UNABZSKNWWEYNW-UHFFFAOYSA-N 1 0 383.265 2.319 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)nc1Cl ZINC000798458556 654064251 /nfs/dbraw/zinc/06/42/51/654064251.db2.gz PMSGWMDLDPCPTF-QGZVFWFLSA-N 1 0 382.917 2.264 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000798464877 654064797 /nfs/dbraw/zinc/06/47/97/654064797.db2.gz WGGCFAIIMVHRFS-UHFFFAOYSA-N 1 0 387.933 2.148 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000900476143 654066305 /nfs/dbraw/zinc/06/63/05/654066305.db2.gz NNJUGQVEPKDWNW-ABAIWWIYSA-N 1 0 393.228 2.122 20 0 GEADRO COc1ccc(Br)cc1Cn1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900511478 654068009 /nfs/dbraw/zinc/06/80/09/654068009.db2.gz DWCZBHKTOQIKEY-UHFFFAOYSA-N 1 0 394.317 2.281 20 0 GEADRO COc1ccc(Cn2cc(CNC3CC[NH+](C)CC3)nn2)c(Br)c1 ZINC000900558936 654069686 /nfs/dbraw/zinc/06/96/86/654069686.db2.gz VWNDIXFUTABYIK-UHFFFAOYSA-N 1 0 394.317 2.281 20 0 GEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(Br)cn1 ZINC000869119725 654070513 /nfs/dbraw/zinc/07/05/13/654070513.db2.gz HYQXVKFBSCPYOJ-ZDUSSCGKSA-N 1 0 397.317 2.239 20 0 GEADRO CC(C)(C[NH2+]Cc1c(F)cncc1Br)[C@H]1COCC12OCCO2 ZINC000850323442 654071459 /nfs/dbraw/zinc/07/14/59/654071459.db2.gz DNVYGXYBOKBMAC-CQSZACIVSA-N 1 0 389.265 2.489 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)c1ccccn1 ZINC000850341389 654071902 /nfs/dbraw/zinc/07/19/02/654071902.db2.gz JDINKMCNWGKTKB-OCCSQVGLSA-N 1 0 382.917 2.493 20 0 GEADRO CC[C@H](COCC1CC1)[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000850349178 654072094 /nfs/dbraw/zinc/07/20/94/654072094.db2.gz DNTSTYKEJPLYOT-CABCVRRESA-N 1 0 389.949 2.499 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000850378861 654073989 /nfs/dbraw/zinc/07/39/89/654073989.db2.gz ASJYLMWVUWEYKZ-MRVWCRGKSA-N 1 0 375.922 2.252 20 0 GEADRO COC(=O)[C@](C)(NC(=O)C12CC[NH+](CC1)C2)c1cccc(Br)c1 ZINC000900644461 654074268 /nfs/dbraw/zinc/07/42/68/654074268.db2.gz INCXDHJLLLBFJN-MRXNPFEDSA-N 1 0 381.270 2.049 20 0 GEADRO C[NH+](C)CCCCNC(=O)c1cnn(C(C)(C)C)c1I ZINC000900690976 654076825 /nfs/dbraw/zinc/07/68/25/654076825.db2.gz UJTWXJCXUHVQDC-UHFFFAOYSA-N 1 0 392.285 2.314 20 0 GEADRO Cn1cc([C@H](O)C[NH2+][C@H]2CCc3ccc(I)cc32)cn1 ZINC000850438828 654077008 /nfs/dbraw/zinc/07/70/08/654077008.db2.gz WWTKYGCLDXABNQ-LSDHHAIUSA-N 1 0 383.233 2.335 20 0 GEADRO C[C@H](NC(=O)c1[nH]c2ccccc2c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000900800155 654081003 /nfs/dbraw/zinc/08/10/03/654081003.db2.gz BLBOZZRSBDUMNF-FZMZJTMJSA-N 1 0 379.302 2.295 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)c(F)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC000900803979 654081539 /nfs/dbraw/zinc/08/15/39/654081539.db2.gz JZUXSPASARFVBO-SKDRFNHKSA-N 1 0 376.245 2.091 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2csc(I)n2)C[N@@H+]1C1CC1 ZINC000829864429 654082423 /nfs/dbraw/zinc/08/24/23/654082423.db2.gz ZOMAXPDRAXGWPS-HTQZYQBOSA-N 1 0 377.251 2.103 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(C)c1Cl ZINC000850592649 654084823 /nfs/dbraw/zinc/08/48/23/654084823.db2.gz VOOVXZBKMCRMIR-JTQLQIEISA-N 1 0 392.930 2.450 20 0 GEADRO O=C(c1nc(Br)sc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000869299045 654085397 /nfs/dbraw/zinc/08/53/97/654085397.db2.gz JJTUCWRHGRJEFG-SECBINFHSA-N 1 0 394.722 2.230 20 0 GEADRO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000900917093 654088615 /nfs/dbraw/zinc/08/86/15/654088615.db2.gz AMUVVDPKEQQFMY-OAHLLOKOSA-N 1 0 391.313 2.495 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H]2CCc3ncc(Br)n3C2)C1 ZINC000900923070 654092300 /nfs/dbraw/zinc/09/23/00/654092300.db2.gz WNXZMUVVZMGHIU-ZBEGNZNMSA-N 1 0 387.297 2.289 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000850666906 654092490 /nfs/dbraw/zinc/09/24/90/654092490.db2.gz NTXXFWOFPAQSTK-GFCCVEGCSA-N 1 0 397.317 2.328 20 0 GEADRO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)Cc1ccsc1Br ZINC000916478795 654096851 /nfs/dbraw/zinc/09/68/51/654096851.db2.gz OPWUUPPGJDSRSX-LBPRGKRZSA-N 1 0 379.345 2.366 20 0 GEADRO C[C@H]1C[NH+](CCCCNC(=O)c2nn3c(c2Br)CCC3)C[C@H](C)O1 ZINC000900981001 654100644 /nfs/dbraw/zinc/10/06/44/654100644.db2.gz PVHVREABCMFASK-STQMWFEESA-N 1 0 399.333 2.211 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1cnc(Br)c(Br)c1 ZINC000850728868 654101961 /nfs/dbraw/zinc/10/19/61/654101961.db2.gz AQXKEUWCDBKFDT-UHFFFAOYSA-N 1 0 390.079 2.480 20 0 GEADRO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)Nc1cccnc1Br ZINC000850729744 654101984 /nfs/dbraw/zinc/10/19/84/654101984.db2.gz GCUBYPJRPWLDEY-UHFFFAOYSA-N 1 0 395.301 2.021 20 0 GEADRO CCO[C@@H]1CN(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C[C@H]1C[NH3+] ZINC000850754045 654104852 /nfs/dbraw/zinc/10/48/52/654104852.db2.gz HPZQSKLITYZRKT-MWLCHTKSSA-N 1 0 384.893 2.025 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4ncc(Br)cn4n3)CC[C@@H]21 ZINC000901106559 654109223 /nfs/dbraw/zinc/10/92/23/654109223.db2.gz YTIBFCURKPAUMU-FZMZJTMJSA-N 1 0 378.274 2.048 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1cc(Cl)ccc1Br ZINC000901150535 654111974 /nfs/dbraw/zinc/11/19/74/654111974.db2.gz QCWHVAAQNUMBCM-SWLSCSKDSA-N 1 0 375.694 2.216 20 0 GEADRO CN(C(=O)Cc1c(Br)cnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000888910951 654113566 /nfs/dbraw/zinc/11/35/66/654113566.db2.gz PDJFNUBPDMRHBH-UHFFFAOYSA-N 1 0 395.301 2.329 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000799813417 654114328 /nfs/dbraw/zinc/11/43/28/654114328.db2.gz AIFATAUPWKPPLZ-CQSZACIVSA-N 1 0 377.551 2.036 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901202594 654114430 /nfs/dbraw/zinc/11/44/30/654114430.db2.gz FKHBISLCFUQQBV-SJKOYZFVSA-N 1 0 387.293 2.482 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC000901226224 654116216 /nfs/dbraw/zinc/11/62/16/654116216.db2.gz BZKKVTRJFCYWDO-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO COc1cc(Br)cc(CNC(=O)c2ccnn2CC[NH+](C)C)c1 ZINC000830419248 654116218 /nfs/dbraw/zinc/11/62/18/654116218.db2.gz VALRMCUYFQBDDF-UHFFFAOYSA-N 1 0 381.274 2.146 20 0 GEADRO CN1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC[N@H+](C)CC1 ZINC000888979594 654118097 /nfs/dbraw/zinc/11/80/97/654118097.db2.gz ZBAHQORGXMWBQT-BPQIPLTHSA-N 1 0 392.341 2.041 20 0 GEADRO CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@H+](C)CC1 ZINC000888982332 654118124 /nfs/dbraw/zinc/11/81/24/654118124.db2.gz OBZXKBIYYTWRPW-DLBZAZTESA-N 1 0 380.330 2.258 20 0 GEADRO O=C(CCN1C(=S)N=NC1c1cccs1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917295559 654118878 /nfs/dbraw/zinc/11/88/78/654118878.db2.gz INNVQIVLWFCHHT-QWHCGFSZSA-N 1 0 377.539 2.428 20 0 GEADRO O=C(CCN1C(=S)N=NC1c1cccs1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917295558 654119019 /nfs/dbraw/zinc/11/90/19/654119019.db2.gz INNVQIVLWFCHHT-OLZOCXBDSA-N 1 0 377.539 2.428 20 0 GEADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc3ncc(Br)cn3n1)CC2 ZINC000901299981 654119275 /nfs/dbraw/zinc/11/92/75/654119275.db2.gz CXOMGGMFPDHABQ-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](O)c1cccc(Br)c1 ZINC000799900579 654119165 /nfs/dbraw/zinc/11/91/65/654119165.db2.gz RWTQYZCAUZPIRR-CABCVRRESA-N 1 0 386.359 2.431 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000901290741 654119435 /nfs/dbraw/zinc/11/94/35/654119435.db2.gz UQDZJGUQBVBGOQ-KRWDZBQOSA-N 1 0 375.296 2.161 20 0 GEADRO C[NH+](C)CCNC(=S)NCc1ccc(I)c(Cl)c1 ZINC000799906630 654119676 /nfs/dbraw/zinc/11/96/76/654119676.db2.gz ZUAUZZOIUWMMFM-UHFFFAOYSA-N 1 0 397.713 2.470 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901322056 654120350 /nfs/dbraw/zinc/12/03/50/654120350.db2.gz GXGXJHJKCZRHND-DOPJRALCSA-N 1 0 399.329 2.488 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)NCCNc1cccc(Br)c1 ZINC000901360270 654122474 /nfs/dbraw/zinc/12/24/74/654122474.db2.gz OHADCBJWZRJJRL-UHFFFAOYSA-N 1 0 380.290 2.049 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000917527272 654127034 /nfs/dbraw/zinc/12/70/34/654127034.db2.gz DJWPPYYYOLYPCP-UHFFFAOYSA-N 1 0 380.432 2.219 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2csc(I)n2)C1 ZINC000830576647 654128170 /nfs/dbraw/zinc/12/81/70/654128170.db2.gz JZCQNQJIKKGDAV-MWLCHTKSSA-N 1 0 391.278 2.304 20 0 GEADRO O=C(CSCc1cc(=O)n2ccsc2n1)OCCC[NH+]1CCCCC1 ZINC000800107345 654129668 /nfs/dbraw/zinc/12/96/68/654129668.db2.gz OTRNODKPHGMYDC-UHFFFAOYSA-N 1 0 381.523 2.408 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000917653938 654129869 /nfs/dbraw/zinc/12/98/69/654129869.db2.gz 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ZINC000917959398 654139704 /nfs/dbraw/zinc/13/97/04/654139704.db2.gz DSVZKJUWPKDEKC-ZDUSSCGKSA-N 1 0 389.725 2.148 20 0 GEADRO Cn1cc([C@]2(C[NH2+][C@H](C(N)=O)c3ccc(Br)cc3)CCCO2)cn1 ZINC000901686828 654140486 /nfs/dbraw/zinc/14/04/86/654140486.db2.gz VHXIYGHWTXDFNB-DOTOQJQBSA-N 1 0 393.285 2.005 20 0 GEADRO O=C1[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)CCN1C1CCCCC1 ZINC000901728127 654144099 /nfs/dbraw/zinc/14/40/99/654144099.db2.gz LAEJCGPZUZQTSN-TZMCWYRMSA-N 1 0 381.318 2.484 20 0 GEADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NCc1ccc(F)cc1 ZINC000901728947 654144392 /nfs/dbraw/zinc/14/43/92/654144392.db2.gz QBVAQNLKXUWRNW-FZMZJTMJSA-N 1 0 395.276 2.394 20 0 GEADRO Cn1nc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000830878437 654148262 /nfs/dbraw/zinc/14/82/62/654148262.db2.gz QLBONANNDNRROV-CQSZACIVSA-N 1 0 377.286 2.435 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000918394482 654150245 /nfs/dbraw/zinc/15/02/45/654150245.db2.gz HMELEIBWLFGNFJ-CYBMUJFWSA-N 1 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O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1nc(-c2ccccn2)cs1 ZINC000919013141 654167907 /nfs/dbraw/zinc/16/79/07/654167907.db2.gz BZXWHIOFMKSXGN-KRWDZBQOSA-N 1 0 378.523 2.110 20 0 GEADRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCn3ncc(Br)c3C2)cc1 ZINC000851662175 654168173 /nfs/dbraw/zinc/16/81/73/654168173.db2.gz BHEJCIUKEDSTJK-NSHDSACASA-N 1 0 378.274 2.391 20 0 GEADRO Cc1ccc(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889755108 654168287 /nfs/dbraw/zinc/16/82/87/654168287.db2.gz DISWMJREBRMAEF-SJORKVTESA-N 1 0 381.314 2.358 20 0 GEADRO O=C(c1cccnc1SC(F)(F)F)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889776349 654171703 /nfs/dbraw/zinc/17/17/03/654171703.db2.gz ZRGIHYBVCQMSIO-STQMWFEESA-N 1 0 375.416 2.365 20 0 GEADRO O=C(CSc1nc2ccccc2s1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889778652 654172292 /nfs/dbraw/zinc/17/22/92/654172292.db2.gz AUQMRANPQGYEAX-GJZGRUSLSA-N 1 0 377.535 2.446 20 0 GEADRO CC[NH+]1CCC(NC(=O)COc2cc(Cl)cnc2Br)CC1 ZINC000902320365 654173127 /nfs/dbraw/zinc/17/31/27/654173127.db2.gz CGWQWQMOEIXOPM-UHFFFAOYSA-N 1 0 376.682 2.477 20 0 GEADRO O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@]1(F)CC[NH2+]C1 ZINC000831236057 654173553 /nfs/dbraw/zinc/17/35/53/654173553.db2.gz RUOPKJNADMJGEY-HZMBPMFUSA-N 1 0 380.773 2.150 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000801087822 654176747 /nfs/dbraw/zinc/17/67/47/654176747.db2.gz SZPDOOFSRNJAIG-UHFFFAOYSA-N 1 0 395.301 2.361 20 0 GEADRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC000831333411 654179240 /nfs/dbraw/zinc/17/92/40/654179240.db2.gz PUYWBQZNXKNAPV-OLZOCXBDSA-N 1 0 376.425 2.025 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000851814002 654180606 /nfs/dbraw/zinc/18/06/06/654180606.db2.gz XMCSHAMNYZVQJX-CQSZACIVSA-N 1 0 387.933 2.147 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(F)c2OC)C1 ZINC000851820644 654183161 /nfs/dbraw/zinc/18/31/61/654183161.db2.gz DMJGLVUFIMHBEN-LLVKDONJSA-N 1 0 395.294 2.359 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)CON=C(N)c2cccc(Br)c2)CC1 ZINC000902607102 654187414 /nfs/dbraw/zinc/18/74/14/654187414.db2.gz IQSOYDVPVOMQQP-UHFFFAOYSA-N 1 0 397.317 2.285 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)c1[nH]nc3c1C[NH2+]CC3)CC2 ZINC000831511656 654188871 /nfs/dbraw/zinc/18/88/71/654188871.db2.gz RBZUVHRODYYHRS-UHFFFAOYSA-N 1 0 375.270 2.325 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)nc1Br ZINC000889968422 654189883 /nfs/dbraw/zinc/18/98/83/654189883.db2.gz HPBSHKIZGOEONZ-IUODEOHRSA-N 1 0 377.286 2.433 20 0 GEADRO Cn1nc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1C(F)(F)F ZINC000890011957 654192515 /nfs/dbraw/zinc/19/25/15/654192515.db2.gz LQNIDEBTRCYCQF-CYBMUJFWSA-N 1 0 376.448 2.273 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(F)c3Br)CC[C@H]21 ZINC000890019445 654192856 /nfs/dbraw/zinc/19/28/56/654192856.db2.gz UCPOPTIWPBBSGC-SMDDNHRTSA-N 1 0 398.276 2.469 20 0 GEADRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCn1cnc(Br)n1 ZINC000851865624 654194504 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O=C(CCC12CC(C1)C[NH2+]2)NCc1cc(Br)c2c(c1)OCCO2 ZINC000870874827 654201512 /nfs/dbraw/zinc/20/15/12/654201512.db2.gz NDKHFYIAFGIQHU-UHFFFAOYSA-N 1 0 381.270 2.369 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(F)c2Br)CC[N@@H+]1C ZINC000890170605 654201862 /nfs/dbraw/zinc/20/18/62/654201862.db2.gz BHVMLRJLADMSCC-WDEREUQCSA-N 1 0 386.265 2.468 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870876966 654202028 /nfs/dbraw/zinc/20/20/28/654202028.db2.gz WLWZVVCGTOWIAZ-ZUCKAHLUSA-N 1 0 380.286 2.330 20 0 GEADRO CC(C)[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC[NH2+]1 ZINC000851898672 654203468 /nfs/dbraw/zinc/20/34/68/654203468.db2.gz WDVZIGPTLRSZQK-LLVKDONJSA-N 1 0 382.711 2.116 20 0 GEADRO C[N@@H+]1CC[C@H](C(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)C1 ZINC000870887440 654203507 /nfs/dbraw/zinc/20/35/07/654203507.db2.gz ANLBJVUCDTVOCN-STQMWFEESA-N 1 0 382.302 2.158 20 0 GEADRO [NH3+][C@@H](C(=O)NCc1cc2c([nH]c1=O)CCC2)c1cccc(Br)c1 ZINC000870887100 654203536 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CCO[C@@H](CNC(=O)c1ccc(-n2cc(Br)cn2)cc1)C[NH+](C)C ZINC000831766552 654207595 /nfs/dbraw/zinc/20/75/95/654207595.db2.gz SDUGILTUOUBHKT-INIZCTEOSA-N 1 0 395.301 2.331 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1)C2 ZINC000920273318 654207788 /nfs/dbraw/zinc/20/77/88/654207788.db2.gz GMHJTGBORXYXMM-VQHPVUNQSA-N 1 0 390.908 2.237 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1)C2 ZINC000920273316 654207959 /nfs/dbraw/zinc/20/79/59/654207959.db2.gz GMHJTGBORXYXMM-NCOADZHNSA-N 1 0 390.908 2.237 20 0 GEADRO C[N@H+](CCn1cnc(Br)n1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000851946815 654207872 /nfs/dbraw/zinc/20/78/72/654207872.db2.gz PJDPPMSWDMSKQV-GFCCVEGCSA-N 1 0 388.310 2.276 20 0 GEADRO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000801751652 654207956 /nfs/dbraw/zinc/20/79/56/654207956.db2.gz SXDHUOGEVVFIBO-HZPDHXFCSA-N 1 0 382.302 2.266 20 0 GEADRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCn2ncc(Br)c2C1 ZINC000851965566 654209186 /nfs/dbraw/zinc/20/91/86/654209186.db2.gz QTUJCSAHGVSPHB-UHFFFAOYSA-N 1 0 382.306 2.045 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)c1cccc(Br)c1 ZINC000870934970 654209350 /nfs/dbraw/zinc/20/93/50/654209350.db2.gz INLHKXLDPMETKK-MEDUHNTESA-N 1 0 382.302 2.212 20 0 GEADRO C[NH+]1CCC(NC(=S)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000920310439 654209520 /nfs/dbraw/zinc/20/95/20/654209520.db2.gz GDGDFBAULVGCOT-UHFFFAOYSA-N 1 0 388.368 2.479 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000870939327 654209587 /nfs/dbraw/zinc/20/95/87/654209587.db2.gz QCGUQPXXJFLEDW-INIZCTEOSA-N 1 0 394.313 2.228 20 0 GEADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@]1(F)CCS(=O)(=O)C1 ZINC000903021020 654210262 /nfs/dbraw/zinc/21/02/62/654210262.db2.gz LTEDUWUNJZXFPX-KRWDZBQOSA-N 1 0 386.514 2.009 20 0 GEADRO CC(C)n1ncc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1I ZINC000870959474 654214347 /nfs/dbraw/zinc/21/43/47/654214347.db2.gz IKJSBTFVWDLWHD-QMTHXVAHSA-N 1 0 388.253 2.022 20 0 GEADRO C[C@@H]([NH2+]CCCN1CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903055424 654214286 /nfs/dbraw/zinc/21/42/86/654214286.db2.gz FPZPNHCNKRQZNE-CYBMUJFWSA-N 1 0 380.432 2.353 20 0 GEADRO CC(C)(C)N1C[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1=O ZINC000870956255 654214392 /nfs/dbraw/zinc/21/43/92/654214392.db2.gz OGGRVFXKUCNQDQ-XHDPSFHLSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870957571 654214467 /nfs/dbraw/zinc/21/44/67/654214467.db2.gz OLLGMECRYDQPBO-DZGCQCFKSA-N 1 0 382.302 2.212 20 0 GEADRO O=C(Cc1ccc(I)cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975715 654214632 /nfs/dbraw/zinc/21/46/32/654214632.db2.gz ZCZCHOVCFHYLHN-YOWGUQMCSA-N 1 0 384.261 2.481 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000870973268 654214760 /nfs/dbraw/zinc/21/47/60/654214760.db2.gz PZAMGRIUTQRLHR-LMKPVCQUSA-N 1 0 376.400 2.241 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903061095 654214903 /nfs/dbraw/zinc/21/49/03/654214903.db2.gz ABTIJEBIQADCKC-WDEREUQCSA-N 1 0 385.429 2.065 20 0 GEADRO C[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH2+]CC1 ZINC000870986676 654215192 /nfs/dbraw/zinc/21/51/92/654215192.db2.gz NHHOUSKHZMKQIR-BLLLJJGKSA-N 1 0 394.313 2.306 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000870994307 654215217 /nfs/dbraw/zinc/21/52/17/654215217.db2.gz OXEIHDXVMGFQKA-MRXNPFEDSA-N 1 0 380.290 2.329 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH2+]CC1 ZINC000870986105 654215249 /nfs/dbraw/zinc/21/52/49/654215249.db2.gz NHHOUSKHZMKQIR-WBMJQRKESA-N 1 0 394.313 2.306 20 0 GEADRO Cc1cc(Br)c(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000852063857 654215882 /nfs/dbraw/zinc/21/58/82/654215882.db2.gz SPHCFKUZRMVBJD-NWDGAFQWSA-N 1 0 388.331 2.481 20 0 GEADRO O=C(NCCC[NH2+][C@H]1CCO[C@]12CCOC2)c1cccc(Br)c1 ZINC000903086397 654215917 /nfs/dbraw/zinc/21/59/17/654215917.db2.gz OBFCWRVJNLJWHS-RDJZCZTQSA-N 1 0 383.286 2.107 20 0 GEADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000802137875 654216186 /nfs/dbraw/zinc/21/61/86/654216186.db2.gz XMARAZPVJSFORR-GFCCVEGCSA-N 1 0 386.242 2.444 20 0 GEADRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccc(N2CCCNC2=O)cc1 ZINC000852071415 654216322 /nfs/dbraw/zinc/21/63/22/654216322.db2.gz LHJWNKLICUIGBW-GFCCVEGCSA-N 1 0 393.289 2.311 20 0 GEADRO CCc1nncn1CC[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903103538 654216510 /nfs/dbraw/zinc/21/65/10/654216510.db2.gz JLCADECSOJYUQW-LLVKDONJSA-N 1 0 376.404 2.485 20 0 GEADRO CCc1nncn1CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903103539 654216775 /nfs/dbraw/zinc/21/67/75/654216775.db2.gz JLCADECSOJYUQW-NSHDSACASA-N 1 0 376.404 2.485 20 0 GEADRO O=C1C[C@@H](C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)CN1 ZINC000852089551 654217309 /nfs/dbraw/zinc/21/73/09/654217309.db2.gz UIEIZMZHBNQTLN-GFCCVEGCSA-N 1 0 385.277 2.406 20 0 GEADRO C[C@@H](CNC(=O)N1CCn2ncc(Br)c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000852091964 654217674 /nfs/dbraw/zinc/21/76/74/654217674.db2.gz OELQJZJUGMXYJG-OLZOCXBDSA-N 1 0 384.322 2.291 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903122542 654217918 /nfs/dbraw/zinc/21/79/18/654217918.db2.gz ZOPVJQQUEWTUFC-XHDPSFHLSA-N 1 0 381.416 2.418 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CN(C)CCO1 ZINC000903126374 654219355 /nfs/dbraw/zinc/21/93/55/654219355.db2.gz SWDQEKJWBPIKEY-YWPYICTPSA-N 1 0 380.432 2.350 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852125080 654219427 /nfs/dbraw/zinc/21/94/27/654219427.db2.gz KKCJNXMVBRPBFC-CZUORRHYSA-N 1 0 390.311 2.437 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1cccc(F)c1Br ZINC000890441293 654220388 /nfs/dbraw/zinc/22/03/88/654220388.db2.gz GEGPYWIHTPAIDR-OLZOCXBDSA-N 1 0 384.249 2.222 20 0 GEADRO CS(=O)(=O)c1cc(C[NH2+][C@@H]2CCO[C@]23CCOC3)cc(C(F)(F)F)c1 ZINC000903167484 654223516 /nfs/dbraw/zinc/22/35/16/654223516.db2.gz ZEIOQEVWGHQKTE-CABCVRRESA-N 1 0 379.400 2.147 20 0 GEADRO OCC1([C@H]([NH2+]CCn2cnc(Br)n2)c2ccccc2)CCOCC1 ZINC000852175782 654223542 /nfs/dbraw/zinc/22/35/42/654223542.db2.gz KZUXTKPACIRNLC-OAHLLOKOSA-N 1 0 395.301 2.161 20 0 GEADRO Ic1ccc(OCC[NH2+][C@H]2CCO[C@@]23CCOC3)cc1 ZINC000903166105 654223621 /nfs/dbraw/zinc/22/36/21/654223621.db2.gz QOEINWCZILVIBM-LSDHHAIUSA-N 1 0 389.233 2.208 20 0 GEADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000903172793 654223889 /nfs/dbraw/zinc/22/38/89/654223889.db2.gz FHATYGPRBFHIPB-CABCVRRESA-N 1 0 380.432 2.278 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCn2ncc(Br)c2C1 ZINC000852187896 654223806 /nfs/dbraw/zinc/22/38/06/654223806.db2.gz VQNFLJFHOWUNLF-OLZOCXBDSA-N 1 0 384.322 2.291 20 0 GEADRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903174645 654224424 /nfs/dbraw/zinc/22/44/24/654224424.db2.gz LPEJLLAYYDLEAT-NSHDSACASA-N 1 0 376.404 2.392 20 0 GEADRO OC[C@H](C[NH2+][C@H]1CCO[C@]12CCOC2)Cc1ccc(F)c(Br)c1 ZINC000903187222 654224861 /nfs/dbraw/zinc/22/48/61/654224861.db2.gz SGPOQWPUKGSXHM-JQFCIGGWSA-N 1 0 388.277 2.277 20 0 GEADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000903204821 654226595 /nfs/dbraw/zinc/22/65/95/654226595.db2.gz ZBSPRNYOEBRJPE-UHFFFAOYSA-N 1 0 377.279 2.447 20 0 GEADRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903225571 654228578 /nfs/dbraw/zinc/22/85/78/654228578.db2.gz JIZQXMDPIPPYIV-NSHDSACASA-N 1 0 386.461 2.283 20 0 GEADRO O=C(NCC1SCCS1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000852280363 654229651 /nfs/dbraw/zinc/22/96/51/654229651.db2.gz ORIKPAJJFWATAG-INIZCTEOSA-N 1 0 381.567 2.383 20 0 GEADRO OCCOCC[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C1CCC1 ZINC000852289916 654230697 /nfs/dbraw/zinc/23/06/97/654230697.db2.gz GHBMWEJWFUDAPQ-MRXNPFEDSA-N 1 0 376.266 2.485 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000852307476 654231152 /nfs/dbraw/zinc/23/11/52/654231152.db2.gz ZBFUXARNWTUKSK-HWRSSNJWSA-N 1 0 383.480 2.394 20 0 GEADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCn3c(Br)cnc3C2)cc(Cl)n1 ZINC000832078580 654232409 /nfs/dbraw/zinc/23/24/09/654232409.db2.gz WQRCCVYPOAXBFD-NSHDSACASA-N 1 0 398.692 2.435 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)NCc2cc(N(C)C)cc[nH+]2)cc1Cl ZINC000921024526 654232750 /nfs/dbraw/zinc/23/27/50/654232750.db2.gz GTACZLUFIUPACA-UHFFFAOYSA-N 1 0 382.873 2.238 20 0 GEADRO C[N@H+](CC(=O)N[C@](C)(CO)c1cccc(Br)c1)[C@@H]1CCSC1 ZINC000890631487 654234503 /nfs/dbraw/zinc/23/45/03/654234503.db2.gz FMRNYPXXOAGKEB-GDBMZVCRSA-N 1 0 387.343 2.210 20 0 GEADRO O=C(NCCCCC[NH+]1CCCC1)N1CCn2ncc(Br)c2C1 ZINC000852356876 654235388 /nfs/dbraw/zinc/23/53/88/654235388.db2.gz QMSNVHDAIJEIRL-UHFFFAOYSA-N 1 0 384.322 2.437 20 0 GEADRO CO[C@@]1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCS(=O)(=O)C1 ZINC000903362642 654235377 /nfs/dbraw/zinc/23/53/77/654235377.db2.gz ILNWIQIRHKERKC-XJKSGUPXSA-N 1 0 388.327 2.100 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CCS(=O)(=O)C1 ZINC000903369223 654237105 /nfs/dbraw/zinc/23/71/05/654237105.db2.gz VJNHVJDQPIOSQK-HZMBPMFUSA-N 1 0 380.279 2.443 20 0 GEADRO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903386852 654237655 /nfs/dbraw/zinc/23/76/55/654237655.db2.gz BNCJZGLNEHCAEG-HUUCEWRRSA-N 1 0 387.933 2.300 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1nc(Br)ccc1F ZINC000903397472 654238153 /nfs/dbraw/zinc/23/81/53/654238153.db2.gz FIEMXBYLRSRHHF-NXEZZACHSA-N 1 0 382.237 2.408 20 0 GEADRO C[C@@](O)(C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)c1ccc(Br)cc1F ZINC000852439595 654240289 /nfs/dbraw/zinc/24/02/89/654240289.db2.gz DGHVVSHMXKSBRU-MLGOLLRUSA-N 1 0 387.249 2.322 20 0 GEADRO O=C(CN[C@H]1CC[NH2+]C12CCCC2)Nc1ccccc1I ZINC000903486539 654240655 /nfs/dbraw/zinc/24/06/55/654240655.db2.gz WBSCSKYXFMSPPB-AWEZNQCLSA-N 1 0 399.276 2.494 20 0 GEADRO O=c1cc(CN[C@@H]2CC[NH2+]C23CCCC3)nc2ccc(Br)cn12 ZINC000903486268 654240785 /nfs/dbraw/zinc/24/07/85/654240785.db2.gz UENHGBNUQVOTMJ-CQSZACIVSA-N 1 0 377.286 2.221 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000903493297 654241116 /nfs/dbraw/zinc/24/11/16/654241116.db2.gz OZQNYBQDZJQUHX-GUYCJALGSA-N 1 0 390.933 2.407 20 0 GEADRO [NH3+][C@H](CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)C1CC1 ZINC000832183096 654243402 /nfs/dbraw/zinc/24/34/02/654243402.db2.gz RFOGQDLNIWHJDB-MRXNPFEDSA-N 1 0 384.293 2.360 20 0 GEADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903512659 654244436 /nfs/dbraw/zinc/24/44/36/654244436.db2.gz BLVFMEFANXPCEH-SNVBAGLBSA-N 1 0 381.723 2.474 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCCC[NH2+]C(C)C)c1F ZINC000903513059 654244491 /nfs/dbraw/zinc/24/44/91/654244491.db2.gz PHRIBBWWZIQDKX-UHFFFAOYSA-N 1 0 383.283 2.263 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000903513566 654244787 /nfs/dbraw/zinc/24/47/87/654244787.db2.gz OWRVTZNLCMKRPA-WDEREUQCSA-N 1 0 379.295 2.477 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000903513563 654244844 /nfs/dbraw/zinc/24/48/44/654244844.db2.gz OWRVTZNLCMKRPA-GHMZBOCLSA-N 1 0 379.295 2.477 20 0 GEADRO C[N@@H+]1CCC[C@H]1CCN1CCC(n2nncc2I)CC1 ZINC000852532106 654245742 /nfs/dbraw/zinc/24/57/42/654245742.db2.gz CWOPNYMMHODKQW-LBPRGKRZSA-N 1 0 389.285 2.004 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@@H]1CC12CC[NH2+]CC2 ZINC000903517403 654246380 /nfs/dbraw/zinc/24/63/80/654246380.db2.gz ADQLMELSQNBGEC-GFCCVEGCSA-N 1 0 377.279 2.150 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1F ZINC000903518024 654246519 /nfs/dbraw/zinc/24/65/19/654246519.db2.gz JHSVCOGLQNKZFW-SECBINFHSA-N 1 0 381.267 2.017 20 0 GEADRO COC(C)(C)CC[NH+]1CCC(n2nncc2I)CC1 ZINC000852533245 654247125 /nfs/dbraw/zinc/24/71/25/654247125.db2.gz WDRAHRNPFILSEA-UHFFFAOYSA-N 1 0 378.258 2.335 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c1F ZINC000903519441 654247146 /nfs/dbraw/zinc/24/71/46/654247146.db2.gz WDIPRRJLBFLMIG-SNVBAGLBSA-N 1 0 395.294 2.489 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000890884346 654247184 /nfs/dbraw/zinc/24/71/84/654247184.db2.gz LONAFOBFENBQNR-UHFFFAOYSA-N 1 0 388.306 2.160 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000832217464 654247850 /nfs/dbraw/zinc/24/78/50/654247850.db2.gz HQHUXUPOSPDCPM-LBPRGKRZSA-N 1 0 378.274 2.101 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1F ZINC000903521597 654248290 /nfs/dbraw/zinc/24/82/90/654248290.db2.gz DODXZVKTIORMEA-NSHDSACASA-N 1 0 395.294 2.263 20 0 GEADRO [NH3+]CCC1CCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000903523355 654248729 /nfs/dbraw/zinc/24/87/29/654248729.db2.gz ZGGLNBYPXTUADQ-UHFFFAOYSA-N 1 0 379.295 2.479 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1F ZINC000903525520 654249382 /nfs/dbraw/zinc/24/93/82/654249382.db2.gz SUUVXENHEMQBJO-LLVKDONJSA-N 1 0 393.278 2.160 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000832234817 654249848 /nfs/dbraw/zinc/24/98/48/654249848.db2.gz ZMNUSUVSHGGFTI-UHFFFAOYSA-N 1 0 385.555 2.137 20 0 GEADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1ccc(Br)cc1 ZINC000871679069 654251303 /nfs/dbraw/zinc/25/13/03/654251303.db2.gz HHADIYINWDYMAL-UHFFFAOYSA-N 1 0 388.269 2.328 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000903542746 654252609 /nfs/dbraw/zinc/25/26/09/654252609.db2.gz KUGDILFEUUCOCE-IZZDOVSWSA-N 1 0 389.315 2.189 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000903549105 654254133 /nfs/dbraw/zinc/25/41/33/654254133.db2.gz YEUXVABDNLGGRD-DGCLKSJQSA-N 1 0 385.917 2.139 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2CC[NH2+]CCC23CCOCC3)cc1Cl ZINC000903549794 654254152 /nfs/dbraw/zinc/25/41/52/654254152.db2.gz RNNKHYMYEBDFEQ-UHFFFAOYSA-N 1 0 388.917 2.190 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)NC3(C4CC[NH2+]CC4)CC3)cc2N1 ZINC000903556748 654255254 /nfs/dbraw/zinc/25/52/54/654255254.db2.gz ITHNFCQBHKLDOE-UHFFFAOYSA-N 1 0 383.901 2.035 20 0 GEADRO O[C@@H](CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(F)c(Br)c1 ZINC000852708002 654255360 /nfs/dbraw/zinc/25/53/60/654255360.db2.gz NXURVCCIPNAHMU-YOEHRIQHSA-N 1 0 387.293 2.153 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000903556532 654255350 /nfs/dbraw/zinc/25/53/50/654255350.db2.gz CWXTZRHFKCAYSL-UHFFFAOYSA-N 1 0 389.315 2.268 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@H]1CC[NH3+] ZINC000903556432 654255376 /nfs/dbraw/zinc/25/53/76/654255376.db2.gz ZHGASANBYVEDKD-RKDXNWHRSA-N 1 0 383.258 2.333 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1Br ZINC000903563627 654257222 /nfs/dbraw/zinc/25/72/22/654257222.db2.gz CQJZPNCEZOFXLD-JIMOISOXSA-N 1 0 375.288 2.019 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000903570992 654257872 /nfs/dbraw/zinc/25/78/72/654257872.db2.gz LZUWCHULCWWMPI-GVJMRKKJSA-N 1 0 387.221 2.484 20 0 GEADRO Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2)co1 ZINC000903570586 654258044 /nfs/dbraw/zinc/25/80/44/654258044.db2.gz RROQLNIFPYOUJD-CHWSQXEVSA-N 1 0 375.372 2.160 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000903572223 654258258 /nfs/dbraw/zinc/25/82/58/654258258.db2.gz JBTBVUPZQRAJTJ-GHMZBOCLSA-N 1 0 376.322 2.302 20 0 GEADRO O=S1(=O)N=C(CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c2ccccc21 ZINC000852748554 654258562 /nfs/dbraw/zinc/25/85/62/654258562.db2.gz XEOKQROKUFLVIK-KRWDZBQOSA-N 1 0 375.881 2.478 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000903573764 654258814 /nfs/dbraw/zinc/25/88/14/654258814.db2.gz IKWMOLDHNYJCGY-AWEZNQCLSA-N 1 0 385.917 2.012 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1cccc(F)c1Br)C2 ZINC000903575845 654259640 /nfs/dbraw/zinc/25/96/40/654259640.db2.gz DTOKDVSDZPBVNH-WCQGTBRESA-N 1 0 377.279 2.230 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000903577751 654260181 /nfs/dbraw/zinc/26/01/81/654260181.db2.gz UMZRRPNPEWBURH-GHMZBOCLSA-N 1 0 387.221 2.349 20 0 GEADRO [NH3+]C1CCN(C(=O)c2cnn(-c3ccccc3)c2I)CC1 ZINC000852789483 654260286 /nfs/dbraw/zinc/26/02/86/654260286.db2.gz HHXNKBQLJUBUKG-UHFFFAOYSA-N 1 0 396.232 2.040 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CC[C@@]4(CCC[NH2+]4)C3)cc2N1 ZINC000871804950 654260746 /nfs/dbraw/zinc/26/07/46/654260746.db2.gz JHTYHWBVDKNEMR-KRWDZBQOSA-N 1 0 383.901 2.131 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC[C@H]1C(F)(F)F ZINC000903578615 654260848 /nfs/dbraw/zinc/26/08/48/654260848.db2.gz IOODSIBDMSHTQD-HTRCEHHLSA-N 1 0 378.203 2.289 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)NCCC3CC[NH2+]CC3)cc2N1 ZINC000871805646 654261261 /nfs/dbraw/zinc/26/12/61/654261261.db2.gz NAXYZIPJDXXGJP-UHFFFAOYSA-N 1 0 385.917 2.283 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871807892 654261502 /nfs/dbraw/zinc/26/15/02/654261502.db2.gz RYMLTNWSXJBPIS-HNNXBMFYSA-N 1 0 385.917 2.281 20 0 GEADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)sc1Cl ZINC000871809899 654261925 /nfs/dbraw/zinc/26/19/25/654261925.db2.gz IMEBNNHPWFXRBK-VIFPVBQESA-N 1 0 385.338 2.492 20 0 GEADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)cc(Cl)c1 ZINC000871811144 654262557 /nfs/dbraw/zinc/26/25/57/654262557.db2.gz UCBKRJAFUATLLU-ZDUSSCGKSA-N 1 0 379.309 2.430 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000871811881 654262892 /nfs/dbraw/zinc/26/28/92/654262892.db2.gz SVYOXNIXIXKDGM-KWQFWETISA-N 1 0 376.322 2.463 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)CCC2Cc3ccccc3C2)C[C@H]1C(F)(F)F ZINC000871812619 654263213 /nfs/dbraw/zinc/26/32/13/654263213.db2.gz IJQPSIOUKYMNKD-HZPDHXFCSA-N 1 0 376.444 2.190 20 0 GEADRO CC(C)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000871812863 654263250 /nfs/dbraw/zinc/26/32/50/654263250.db2.gz CTDLLIPVXTVYNJ-GXTWGEPZSA-N 1 0 378.416 2.283 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903583907 654263308 /nfs/dbraw/zinc/26/33/08/654263308.db2.gz FGPNFYQORUGRIE-NSHDSACASA-N 1 0 397.722 2.469 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C[C@H]1C(F)(F)F ZINC000871813485 654263553 /nfs/dbraw/zinc/26/35/53/654263553.db2.gz IULKOZMVXCSLJE-MWLCHTKSSA-N 1 0 396.818 2.227 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871813964 654263948 /nfs/dbraw/zinc/26/39/48/654263948.db2.gz MVPFASRJMWSDIZ-MFKMUULPSA-N 1 0 386.823 2.244 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000852867970 654264297 /nfs/dbraw/zinc/26/42/97/654264297.db2.gz JFYYQBWWEAQHAV-OAHLLOKOSA-N 1 0 389.949 2.474 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871815999 654264722 /nfs/dbraw/zinc/26/47/22/654264722.db2.gz AZKDTUDPLCZZJE-ZIAGYGMSSA-N 1 0 375.288 2.021 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903589953 654264853 /nfs/dbraw/zinc/26/48/53/654264853.db2.gz RNEQGIQODUUAIY-YMTOWFKASA-N 1 0 393.278 2.099 20 0 GEADRO O=S(=O)(N[C@@H]1CCCCC12CC[NH2+]CC2)c1cnn(CC(F)(F)F)c1 ZINC000871818044 654265275 /nfs/dbraw/zinc/26/52/75/654265275.db2.gz KZHKSELMDQEDII-CYBMUJFWSA-N 1 0 380.436 2.036 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1Cl ZINC000871817856 654265318 /nfs/dbraw/zinc/26/53/18/654265318.db2.gz VRVBQFYQVQZCFP-CABCVRRESA-N 1 0 375.853 2.000 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903592901 654265779 /nfs/dbraw/zinc/26/57/79/654265779.db2.gz IYPGBKBKYOSDMO-OAHLLOKOSA-N 1 0 389.315 2.283 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903596316 654266013 /nfs/dbraw/zinc/26/60/13/654266013.db2.gz OUXFJVZRNIAMAY-QGZVFWFLSA-N 1 0 380.491 2.205 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c(Cl)cc1Cl ZINC000903593805 654266058 /nfs/dbraw/zinc/26/60/58/654266058.db2.gz WFDZFCAGSILJNV-HNNXBMFYSA-N 1 0 393.292 2.297 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)=NO1 ZINC000852894564 654266182 /nfs/dbraw/zinc/26/61/82/654266182.db2.gz WONRKYOAGPMNNY-CABCVRRESA-N 1 0 380.286 2.476 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852894750 654266271 /nfs/dbraw/zinc/26/62/71/654266271.db2.gz YIVBTPICHUTGMF-WDEREUQCSA-N 1 0 398.248 2.333 20 0 GEADRO CS(=O)(=O)CCOc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000852903411 654266935 /nfs/dbraw/zinc/26/69/35/654266935.db2.gz ZDMKFZGYLQENJR-UHFFFAOYSA-N 1 0 380.491 2.070 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000852907291 654267597 /nfs/dbraw/zinc/26/75/97/654267597.db2.gz IRKUMACGAPOETO-CVEARBPZSA-N 1 0 383.286 2.118 20 0 GEADRO CSCC[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000803223384 654268521 /nfs/dbraw/zinc/26/85/21/654268521.db2.gz QEAPLPWYUXZQFT-CQSZACIVSA-N 1 0 383.583 2.334 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc1 ZINC000903619050 654268708 /nfs/dbraw/zinc/26/87/08/654268708.db2.gz VXXYGKFQLYMFGB-JBEBIEQOSA-N 1 0 388.559 2.292 20 0 GEADRO COc1ccc([C@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)cc1 ZINC000921479759 654272489 /nfs/dbraw/zinc/27/24/89/654272489.db2.gz RARJISRAOFIRJB-HNNXBMFYSA-N 1 0 395.301 2.344 20 0 GEADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1occc1Br)c1cccnc1 ZINC000921478629 654272508 /nfs/dbraw/zinc/27/25/08/654272508.db2.gz OJPWFXHDKUSLFA-ZDUSSCGKSA-N 1 0 388.287 2.408 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853110941 654279609 /nfs/dbraw/zinc/27/96/09/654279609.db2.gz MJZJBWALFFFIAD-GUYCJALGSA-N 1 0 395.297 2.327 20 0 GEADRO O=C1N(CC[NH2+]C[C@H](O)c2ccccc2Br)C[C@H]2CCCCN12 ZINC000853118800 654279972 /nfs/dbraw/zinc/27/99/72/654279972.db2.gz RCRWZCYSUZCXRK-CJNGLKHVSA-N 1 0 382.302 2.362 20 0 GEADRO CN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903714047 654280686 /nfs/dbraw/zinc/28/06/86/654280686.db2.gz LHSHEAZNALYHCI-CHWSQXEVSA-N 1 0 377.794 2.037 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717652 654280824 /nfs/dbraw/zinc/28/08/24/654280824.db2.gz CRMLEJHSCXAPIX-AWEZNQCLSA-N 1 0 396.329 2.478 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719449 654280890 /nfs/dbraw/zinc/28/08/90/654280890.db2.gz ZVNJZVCPLXYFST-CRAIPNDOSA-N 1 0 396.329 2.396 20 0 GEADRO O=C(COc1ccc(CC[NH2+]Cc2nc(Br)c[nH]2)cc1)NC1CC1 ZINC000921562831 654281377 /nfs/dbraw/zinc/28/13/77/654281377.db2.gz IZVOOXXKSSWVSN-UHFFFAOYSA-N 1 0 393.285 2.162 20 0 GEADRO CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755265 654282330 /nfs/dbraw/zinc/28/23/30/654282330.db2.gz DNNMPHLNWIPAMI-HZPDHXFCSA-N 1 0 396.329 2.066 20 0 GEADRO O[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777037 654283158 /nfs/dbraw/zinc/28/31/58/654283158.db2.gz ZGUZBNRVDRCTHO-MLHJIOFPSA-N 1 0 381.314 2.325 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000903795814 654283689 /nfs/dbraw/zinc/28/36/89/654283689.db2.gz PCTBAJAPMAQWPF-SJCJKPOMSA-N 1 0 377.286 2.160 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)N1CCn2ncc(Br)c2C1)c1ccccc1 ZINC000853229925 654287151 /nfs/dbraw/zinc/28/71/51/654287151.db2.gz XXUHMVFPQBHTGF-HNNXBMFYSA-N 1 0 392.301 2.474 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)Nc1ccccc1I)C2 ZINC000903850429 654287544 /nfs/dbraw/zinc/28/75/44/654287544.db2.gz QSDXKJHRORIMDO-SRVKXCTJSA-N 1 0 385.249 2.041 20 0 GEADRO O=C(CN1CCC[C@@]12CC[NH2+]C2)Nc1ccc(I)cc1 ZINC000903864404 654287938 /nfs/dbraw/zinc/28/79/38/654287938.db2.gz UITSOUANACUHGW-HNNXBMFYSA-N 1 0 385.249 2.058 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903859082 654287952 /nfs/dbraw/zinc/28/79/52/654287952.db2.gz ZQSICELERJVYJZ-MLGOLLRUSA-N 1 0 399.276 2.351 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncnc(F)c2Br)CC1 ZINC000853244116 654288898 /nfs/dbraw/zinc/28/88/98/654288898.db2.gz CQQNTKWLGYDSOI-STQMWFEESA-N 1 0 386.313 2.373 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncnc(F)c2Br)CC1 ZINC000853244114 654289052 /nfs/dbraw/zinc/28/90/52/654289052.db2.gz CQQNTKWLGYDSOI-BETUJISGSA-N 1 0 386.313 2.373 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(C)nc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000832743014 654292875 /nfs/dbraw/zinc/29/28/75/654292875.db2.gz RNZGVBSIZOFIDO-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCCC1N=NC(=S)N1C1CC1)c1ccsc1 ZINC000853346895 654293086 /nfs/dbraw/zinc/29/30/86/654293086.db2.gz BDWILAXMSQBRTC-CYBMUJFWSA-N 1 0 380.543 2.108 20 0 GEADRO Brc1c(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)nc2ccccn21 ZINC000903970209 654293482 /nfs/dbraw/zinc/29/34/82/654293482.db2.gz SGQWSRYNPSFJLZ-ZDUSSCGKSA-N 1 0 379.302 2.345 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@H](CN2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903986979 654294509 /nfs/dbraw/zinc/29/45/09/654294509.db2.gz VZPSVUYHUQVJCN-GFCCVEGCSA-N 1 0 384.293 2.144 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853398772 654295100 /nfs/dbraw/zinc/29/51/00/654295100.db2.gz OYSCXYOUAYQGRR-JKSUJKDBSA-N 1 0 394.313 2.289 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891482901 654296766 /nfs/dbraw/zinc/29/67/66/654296766.db2.gz MVXSMMQNPFUMQH-OKILXGFUSA-N 1 0 395.301 2.232 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C1 ZINC000853473998 654297734 /nfs/dbraw/zinc/29/77/34/654297734.db2.gz PCESONDTJWPENF-CQSZACIVSA-N 1 0 396.329 2.394 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000891523685 654298647 /nfs/dbraw/zinc/29/86/47/654298647.db2.gz CMEVRLVQJLLXGZ-CQSZACIVSA-N 1 0 397.317 2.432 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000891527796 654299070 /nfs/dbraw/zinc/29/90/70/654299070.db2.gz ZEBHGMUEAOUDMY-DOMZBBRYSA-N 1 0 395.301 2.042 20 0 GEADRO CC[NH+]1CCC(NC(=O)N[C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000891548068 654300021 /nfs/dbraw/zinc/30/00/21/654300021.db2.gz WLKATZARIMLQPF-KRWDZBQOSA-N 1 0 384.318 2.440 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Cl)c(Cl)c3)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904080948 654300383 /nfs/dbraw/zinc/30/03/83/654300383.db2.gz AFPHDMZLMWVESF-KWBADKCTSA-N 1 0 388.276 2.219 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891568055 654301025 /nfs/dbraw/zinc/30/10/25/654301025.db2.gz IKTZIKVTUIAMPO-INIZCTEOSA-N 1 0 396.329 2.450 20 0 GEADRO CCN(C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H]1CC[NH2+]C1 ZINC000891594880 654302093 /nfs/dbraw/zinc/30/20/93/654302093.db2.gz VDIIDQCKYAAVHE-CYBMUJFWSA-N 1 0 393.289 2.128 20 0 GEADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891690653 654306900 /nfs/dbraw/zinc/30/69/00/654306900.db2.gz DOSIJAFXFHXNQB-SNVBAGLBSA-N 1 0 378.217 2.199 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)C[C@H]1C(F)(F)F ZINC000891691833 654307193 /nfs/dbraw/zinc/30/71/93/654307193.db2.gz RFBXCHNQYOAIJI-NXEZZACHSA-N 1 0 396.207 2.433 20 0 GEADRO CC[N@@H+]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000804380334 654307820 /nfs/dbraw/zinc/30/78/20/654307820.db2.gz HSCFPHTVXNPMER-LBPRGKRZSA-N 1 0 379.917 2.440 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000904322317 654307830 /nfs/dbraw/zinc/30/78/30/654307830.db2.gz WLPTYYIFFWTWEL-LJGSYFOKSA-N 1 0 381.164 2.428 20 0 GEADRO [NH3+][C@@]1(CO)CCCN(Cc2ccc(Br)c(Br)c2)C1 ZINC000904401166 654309317 /nfs/dbraw/zinc/30/93/17/654309317.db2.gz GCAQDAIWJUBBFO-ZDUSSCGKSA-N 1 0 378.108 2.497 20 0 GEADRO CCOCCOc1ccc(Br)cc1CN1CCC[C@]([NH3+])(CO)C1 ZINC000904402547 654309372 /nfs/dbraw/zinc/30/93/72/654309372.db2.gz RQZCLJGAWHQTRE-QGZVFWFLSA-N 1 0 387.318 2.150 20 0 GEADRO C[C@H]1CCCN(C(=O)Nc2ccncc2I)[C@H]1CC[NH3+] ZINC000904410260 654309808 /nfs/dbraw/zinc/30/98/08/654309808.db2.gz NKRRLXHJXUWYQN-GWCFXTLKSA-N 1 0 388.253 2.089 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNc1cc(Br)cnc1Br ZINC000804447137 654310838 /nfs/dbraw/zinc/31/08/38/654310838.db2.gz XQRSIBASKSLSLA-JTQLQIEISA-N 1 0 378.112 2.264 20 0 GEADRO CC[NH+]1CCC(CNC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000853631719 654311912 /nfs/dbraw/zinc/31/19/12/654311912.db2.gz YWHRPVBKPUTJBH-UHFFFAOYSA-N 1 0 396.329 2.394 20 0 GEADRO O=C(N[C@H](c1nccs1)C(F)(F)F)N1CC[NH2+]CCC12CCOCC2 ZINC000904484835 654312143 /nfs/dbraw/zinc/31/21/43/654312143.db2.gz QZQOHDWRMUAATE-LLVKDONJSA-N 1 0 378.420 2.301 20 0 GEADRO CS(=O)(=O)CCCCCNC(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000891818773 654312997 /nfs/dbraw/zinc/31/29/97/654312997.db2.gz YBJCMWROCYFAEZ-UHFFFAOYSA-N 1 0 375.922 2.025 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000904536201 654313058 /nfs/dbraw/zinc/31/30/58/654313058.db2.gz CFRNEQCEAVVMNB-GFCCVEGCSA-N 1 0 383.905 2.489 20 0 GEADRO O=C(C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)NCC(F)F ZINC000872068629 654313503 /nfs/dbraw/zinc/31/35/03/654313503.db2.gz HQEVNGHVONCNMR-XHDPSFHLSA-N 1 0 377.229 2.498 20 0 GEADRO OCc1cn(CCC[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)nn1 ZINC000872073910 654313576 /nfs/dbraw/zinc/31/35/76/654313576.db2.gz WWTLSIMDWRIJRK-RHSMWYFYSA-N 1 0 395.301 2.290 20 0 GEADRO COc1cc(Br)c(Cc2noc([C@@]3(C)C[NH2+]CCO3)n2)cc1OC ZINC000872177671 654315329 /nfs/dbraw/zinc/31/53/29/654315329.db2.gz FCGHCPXKRXTFGM-MRXNPFEDSA-N 1 0 398.257 2.275 20 0 GEADRO CCN(C(=O)NCc1ccc(I)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000891873751 654316137 /nfs/dbraw/zinc/31/61/37/654316137.db2.gz CNLJDRXWACRBIX-ZDUSSCGKSA-N 1 0 387.265 2.493 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000872189536 654316583 /nfs/dbraw/zinc/31/65/83/654316583.db2.gz HOBQDLHGMPYESP-UHFFFAOYSA-N 1 0 396.329 2.311 20 0 GEADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872186805 654316668 /nfs/dbraw/zinc/31/66/68/654316668.db2.gz ZDBYUWHHSNMEGU-ONGXEEELSA-N 1 0 397.850 2.346 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000872218632 654317461 /nfs/dbraw/zinc/31/74/61/654317461.db2.gz QVVCIPPBMLVSCX-LSDHHAIUSA-N 1 0 377.312 2.168 20 0 GEADRO O[C@H](C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)COc1cc(F)cc(Br)c1 ZINC000872218761 654317544 /nfs/dbraw/zinc/31/75/44/654317544.db2.gz AIPJDELIVCLFDO-RVMNRUSISA-N 1 0 386.261 2.341 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000872219080 654317586 /nfs/dbraw/zinc/31/75/86/654317586.db2.gz VDOFWFGTCFRJNL-KBPBESRZSA-N 1 0 377.312 2.168 20 0 GEADRO O[C@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccccc1Br ZINC000872221140 654317881 /nfs/dbraw/zinc/31/78/81/654317881.db2.gz WJNXNYBJODQDQT-NEPJUHHUSA-N 1 0 379.180 2.467 20 0 GEADRO O[C@H](CNCc1nnc(C2CCOCC2)[nH]1)c1ccc(F)c(Br)c1 ZINC000872222599 654317914 /nfs/dbraw/zinc/31/79/14/654317914.db2.gz XWVKRMGICMXBHD-CQSZACIVSA-N 1 0 399.264 2.424 20 0 GEADRO OC[C@@]1(NCc2nc(Br)c[nH]2)CCC[N@H+](Cc2ccccc2)C1 ZINC000921750209 654318104 /nfs/dbraw/zinc/31/81/04/654318104.db2.gz OYONWUHLMMLANW-QGZVFWFLSA-N 1 0 379.302 2.289 20 0 GEADRO OC[C@]1(NCc2nc(Br)c[nH]2)CCC[N@H+](Cc2ccccc2)C1 ZINC000921750207 654318167 /nfs/dbraw/zinc/31/81/67/654318167.db2.gz OYONWUHLMMLANW-KRWDZBQOSA-N 1 0 379.302 2.289 20 0 GEADRO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000872228784 654318171 /nfs/dbraw/zinc/31/81/71/654318171.db2.gz KMJGSQUVWKSNMS-IIDMSEBBSA-N 1 0 381.519 2.220 20 0 GEADRO COC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872234836 654318468 /nfs/dbraw/zinc/31/84/68/654318468.db2.gz ZIAOGVNAJHYXDY-OAHLLOKOSA-N 1 0 395.253 2.160 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000891923364 654318507 /nfs/dbraw/zinc/31/85/07/654318507.db2.gz FQSSQRKWZFGMAO-ZWKOTPCHSA-N 1 0 396.329 2.439 20 0 GEADRO Brc1cccc(-n2ncc3c2ncnc3N2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000891928422 654319130 /nfs/dbraw/zinc/31/91/30/654319130.db2.gz ARMPVMRCTVJLIN-VXGBXAGGSA-N 1 0 385.269 2.234 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000872246735 654319408 /nfs/dbraw/zinc/31/94/08/654319408.db2.gz FNSUADBPKIDCRA-MAUKXSAKSA-N 1 0 383.897 2.143 20 0 GEADRO COCCC[N@H+](C)CCOc1ccc(-c2csc(S(N)(=O)=O)c2)cc1 ZINC000904761122 654319369 /nfs/dbraw/zinc/31/93/69/654319369.db2.gz UMWYVCILQCDGER-UHFFFAOYSA-N 1 0 384.523 2.410 20 0 GEADRO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NCc1nc(Br)c[nH]1 ZINC000921764591 654319516 /nfs/dbraw/zinc/31/95/16/654319516.db2.gz LZCRCLVWWCZPMX-HUUCEWRRSA-N 1 0 379.302 2.145 20 0 GEADRO COc1cc(Cl)c(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Cl ZINC000872255765 654320202 /nfs/dbraw/zinc/32/02/02/654320202.db2.gz MOUFXUNRGYYIHM-PEYYIBSZSA-N 1 0 386.279 2.369 20 0 GEADRO C[C@@]1(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1(Br)Br ZINC000872264149 654320789 /nfs/dbraw/zinc/32/07/89/654320789.db2.gz NEXBQEURWQJTRP-TUAOUCFPSA-N 1 0 380.124 2.341 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ncc(Br)cn2)c1 ZINC000891965234 654321014 /nfs/dbraw/zinc/32/10/14/654321014.db2.gz HNOKVHAYZRJXDS-UHFFFAOYSA-N 1 0 378.274 2.300 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000853787519 654321108 /nfs/dbraw/zinc/32/11/08/654321108.db2.gz YHMOABOGHAWZDG-IUODEOHRSA-N 1 0 382.302 2.145 20 0 GEADRO Cc1cc(C[NH2+]C[C@H](O)c2cnn(C)c2)c(C)cc1I ZINC000921780201 654321786 /nfs/dbraw/zinc/32/17/86/654321786.db2.gz DRJLFHUDLFHEGZ-HNNXBMFYSA-N 1 0 385.249 2.465 20 0 GEADRO C[C@]12CCN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)C[C@H]1C2(Br)Br ZINC000872305799 654322091 /nfs/dbraw/zinc/32/20/91/654322091.db2.gz NJPJSZXKQUXJHV-WAPUPBOZSA-N 1 0 392.135 2.468 20 0 GEADRO O=C(NCC1C[NH2+]C1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834394471 654322253 /nfs/dbraw/zinc/32/22/53/654322253.db2.gz QMABBVVVLFQHNL-UHFFFAOYSA-N 1 0 376.194 2.158 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C(F)(F)F)n1 ZINC000904927616 654324579 /nfs/dbraw/zinc/32/45/79/654324579.db2.gz HAQIYAUBVMWSSN-XDYICZGBSA-N 1 0 379.448 2.423 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853851343 654325478 /nfs/dbraw/zinc/32/54/78/654325478.db2.gz WYHKGFHMDWZZJR-MLGOLLRUSA-N 1 0 394.313 2.145 20 0 GEADRO COc1cc(C[C@H](CO)C[NH2+]Cc2nc(Br)c[nH]2)cc(OC)c1 ZINC000921812664 654326466 /nfs/dbraw/zinc/32/64/66/654326466.db2.gz WFKCHHDTNXABGI-LBPRGKRZSA-N 1 0 384.274 2.130 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000834456217 654326790 /nfs/dbraw/zinc/32/67/90/654326790.db2.gz ADWDDFUQGFJLFP-RYUDHWBXSA-N 1 0 378.523 2.124 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCC1([NH3+])CCC1 ZINC000892054783 654326935 /nfs/dbraw/zinc/32/69/35/654326935.db2.gz VYGUFZXJXZSWJE-CYBMUJFWSA-N 1 0 376.284 2.256 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000834469741 654327925 /nfs/dbraw/zinc/32/79/25/654327925.db2.gz NQNLRIOWOPPGGX-LBPRGKRZSA-N 1 0 378.274 2.244 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CCC1)C1(O)CCOCC1 ZINC000905063104 654328471 /nfs/dbraw/zinc/32/84/71/654328471.db2.gz SFIGERITSYLJGP-INIZCTEOSA-N 1 0 384.314 2.363 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2cccc(Br)c2)CCC1)C[C@@]1(O)CCOC1 ZINC000905062708 654328519 /nfs/dbraw/zinc/32/85/19/654328519.db2.gz NRSLHDLXIVPYJG-AEFFLSMTSA-N 1 0 384.314 2.363 20 0 GEADRO Cc1nc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)sc1Br ZINC000921832579 654328995 /nfs/dbraw/zinc/32/89/95/654328995.db2.gz ARZQGXIVWBKKCB-VHSXEESVSA-N 1 0 382.349 2.022 20 0 GEADRO O[C@H](C[NH2+]CC1(c2cccc(Br)c2)CCC1)C1(O)CCOCC1 ZINC000905063294 654329085 /nfs/dbraw/zinc/32/90/85/654329085.db2.gz XSHNCEZBBZFEKK-MRXNPFEDSA-N 1 0 384.314 2.363 20 0 GEADRO COC[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000892156971 654331682 /nfs/dbraw/zinc/33/16/82/654331682.db2.gz TYXWCQYNLQFABH-OLZOCXBDSA-N 1 0 392.244 2.433 20 0 GEADRO Cn1c(C(=O)N2CCO[C@@H](C[NH3+])C2)ccc1-c1ccccc1Br ZINC000834529446 654332208 /nfs/dbraw/zinc/33/22/08/654332208.db2.gz QIVXWLSTUMRECF-LBPRGKRZSA-N 1 0 378.270 2.254 20 0 GEADRO Cc1cccc([C@@H](O)C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000905109158 654332708 /nfs/dbraw/zinc/33/27/08/654332708.db2.gz IVPUKFXAQJUZER-HNNXBMFYSA-N 1 0 380.432 2.180 20 0 GEADRO Cc1nc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(Br)n1C ZINC000805006302 654334166 /nfs/dbraw/zinc/33/41/66/654334166.db2.gz ZNUQPHJHAKFRQB-LLVKDONJSA-N 1 0 395.367 2.136 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc(Cl)c(Cl)c3)C2=O)n(C)n1 ZINC000905138900 654334136 /nfs/dbraw/zinc/33/41/36/654334136.db2.gz ZOPDRMXCLMAQPF-LSDHHAIUSA-N 1 0 383.279 2.464 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC000892215575 654334246 /nfs/dbraw/zinc/33/42/46/654334246.db2.gz YGNKALQLIHWGJE-IUODEOHRSA-N 1 0 395.301 2.123 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)NCC1SCCS1 ZINC000853974475 654334247 /nfs/dbraw/zinc/33/42/47/654334247.db2.gz GVJRNBCXPUTCPK-MRXNPFEDSA-N 1 0 381.567 2.249 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000834564329 654335202 /nfs/dbraw/zinc/33/52/02/654335202.db2.gz JJCQFJOEOXJCGL-AWEZNQCLSA-N 1 0 376.682 2.026 20 0 GEADRO CCNS(=O)(=O)c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905167391 654335549 /nfs/dbraw/zinc/33/55/49/654335549.db2.gz URXSLABWUWRPLO-GFCCVEGCSA-N 1 0 390.374 2.023 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000834592736 654337103 /nfs/dbraw/zinc/33/71/03/654337103.db2.gz BIELXNMTHLDCTE-VXGBXAGGSA-N 1 0 378.523 2.314 20 0 GEADRO O[C@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C[C@]1(O)CCOC1 ZINC000905189184 654337239 /nfs/dbraw/zinc/33/72/39/654337239.db2.gz LDEDGWUZPXRWSO-FUHWJXTLSA-N 1 0 382.913 2.498 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1(O)CCOCC1 ZINC000905192550 654337757 /nfs/dbraw/zinc/33/77/57/654337757.db2.gz VJVLBYGUHGEFLU-CYBMUJFWSA-N 1 0 398.219 2.460 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892307236 654339640 /nfs/dbraw/zinc/33/96/40/654339640.db2.gz WBLLLRBXBLYSNQ-VZJVUDMVSA-N 1 0 376.284 2.125 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000834640970 654340244 /nfs/dbraw/zinc/34/02/44/654340244.db2.gz VCGLGKSQLCGHQP-OAHLLOKOSA-N 1 0 375.332 2.299 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ncc(Br)c3cccnc32)CC1 ZINC000892320707 654340267 /nfs/dbraw/zinc/34/02/67/654340267.db2.gz YKXVNIINCDFMJD-HUUCEWRRSA-N 1 0 377.286 2.428 20 0 GEADRO CC[C@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000834641974 654340702 /nfs/dbraw/zinc/34/07/02/654340702.db2.gz OKOGTLGUMITIFX-SMDDNHRTSA-N 1 0 379.917 2.473 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(F)c(C(F)F)c1 ZINC000921911179 654340811 /nfs/dbraw/zinc/34/08/11/654340811.db2.gz IKZSPCMEDPKNSY-LBPRGKRZSA-N 1 0 378.416 2.295 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Cl)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921912577 654341398 /nfs/dbraw/zinc/34/13/98/654341398.db2.gz TUWIWNIOCQNEBQ-HNNXBMFYSA-N 1 0 376.881 2.152 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1(O)CCOCC1 ZINC000905230369 654341431 /nfs/dbraw/zinc/34/14/31/654341431.db2.gz MCHUDCKPRAAPTK-CJNGLKHVSA-N 1 0 375.296 2.064 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C1 ZINC000872456699 654341494 /nfs/dbraw/zinc/34/14/94/654341494.db2.gz SRJDAMCDRMKTJN-LBPRGKRZSA-N 1 0 376.320 2.197 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C[C@]1(O)CCOC1 ZINC000905231457 654341990 /nfs/dbraw/zinc/34/19/90/654341990.db2.gz PPXHRFFROXNPGD-RLFYNMQTSA-N 1 0 389.323 2.454 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC000872458067 654342514 /nfs/dbraw/zinc/34/25/14/654342514.db2.gz IJMVCXOBWRGTJV-UHFFFAOYSA-N 1 0 379.448 2.068 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3cc(Br)c4c(c3)OCCO4)[C@H]2C1 ZINC000892365090 654343076 /nfs/dbraw/zinc/34/30/76/654343076.db2.gz NKKJLRINVRAGJG-OCCSQVGLSA-N 1 0 396.285 2.066 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(C2CCCC2)n1 ZINC000921925869 654343387 /nfs/dbraw/zinc/34/33/87/654343387.db2.gz UKSXUDSEIYERJS-OAHLLOKOSA-N 1 0 383.539 2.064 20 0 GEADRO O[C@H](C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1(O)CCOCC1 ZINC000905246268 654344131 /nfs/dbraw/zinc/34/41/31/654344131.db2.gz BZFPIXFBBBGCNO-XJKCOSOUSA-N 1 0 388.277 2.326 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC3([NH+](C)C)CC3)nc12 ZINC000921938946 654345129 /nfs/dbraw/zinc/34/51/29/654345129.db2.gz KZZAXIADCUMJOF-UHFFFAOYSA-N 1 0 394.317 2.341 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000892437399 654346397 /nfs/dbraw/zinc/34/63/97/654346397.db2.gz KYIKGCGVVALOFK-ZOBUZTSGSA-N 1 0 398.345 2.417 20 0 GEADRO CCn1c(C[NH2+]CCc2nc(C)n[nH]2)nc(Br)c1Br ZINC000921956927 654347141 /nfs/dbraw/zinc/34/71/41/654347141.db2.gz NOCNJKMHBWJUGR-UHFFFAOYSA-N 1 0 392.099 2.187 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000892467667 654347387 /nfs/dbraw/zinc/34/73/87/654347387.db2.gz IELRCOYVGQZWPM-UHFFFAOYSA-N 1 0 388.331 2.381 20 0 GEADRO CN(C(=O)N1C2CCC1(C[NH3+])CC2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000892463337 654347422 /nfs/dbraw/zinc/34/74/22/654347422.db2.gz BOQOGRCTAMRUIX-TVIZTDCDSA-N 1 0 383.901 2.176 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)nc12 ZINC000921959929 654347600 /nfs/dbraw/zinc/34/76/00/654347600.db2.gz KZZQDURRMQJRSO-BXUZGUMPSA-N 1 0 380.290 2.297 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H](O)CC2(O)CCCC2)c1 ZINC000905287015 654347926 /nfs/dbraw/zinc/34/79/26/654347926.db2.gz VOAMSZVSJPXEEM-OAHLLOKOSA-N 1 0 375.918 2.279 20 0 GEADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC[S@@](=O)CC(F)(F)F ZINC000854307195 654349671 /nfs/dbraw/zinc/34/96/71/654349671.db2.gz LKHPGCCXRYWTFA-RUZDIDTESA-N 1 0 379.448 2.071 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000834829487 654351707 /nfs/dbraw/zinc/35/17/07/654351707.db2.gz COLNQNJGFUBORA-CYBMUJFWSA-N 1 0 397.875 2.081 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000905340088 654351666 /nfs/dbraw/zinc/35/16/66/654351666.db2.gz SVLFPRTTYUCLFF-GOSISDBHSA-N 1 0 386.945 2.415 20 0 GEADRO Cc1ccc(CNS(=O)(=O)CC2CC[NH2+]CC2)c(OCC(F)(F)F)c1 ZINC000905342101 654351780 /nfs/dbraw/zinc/35/17/80/654351780.db2.gz FUZHPZXKUXTDLT-UHFFFAOYSA-N 1 0 380.432 2.355 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000892573096 654352136 /nfs/dbraw/zinc/35/21/36/654352136.db2.gz VHNUOIDKASKIEU-WBIUFABUSA-N 1 0 386.265 2.408 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892570892 654352144 /nfs/dbraw/zinc/35/21/44/654352144.db2.gz SURUGSSNSNYEQL-UMSPYCQHSA-N 1 0 376.320 2.406 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1Cl ZINC000905350777 654352683 /nfs/dbraw/zinc/35/26/83/654352683.db2.gz GWDSUQKYBHEAJL-CQSZACIVSA-N 1 0 387.889 2.471 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000905355732 654352704 /nfs/dbraw/zinc/35/27/04/654352704.db2.gz BRUSUDSDROBYQF-CQSZACIVSA-N 1 0 388.331 2.243 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000892584149 654352696 /nfs/dbraw/zinc/35/26/96/654352696.db2.gz YEDWBZBKXRRRRU-HAQNSBGRSA-N 1 0 385.295 2.198 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000905359865 654352925 /nfs/dbraw/zinc/35/29/25/654352925.db2.gz PPEQLJVUOFEIJQ-CQSZACIVSA-N 1 0 382.917 2.386 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H](CO)c1cccc(Br)c1 ZINC000892599193 654353191 /nfs/dbraw/zinc/35/31/91/654353191.db2.gz QDXLSTCDBBADFV-MSQAHXEGSA-N 1 0 382.302 2.312 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834850846 654353338 /nfs/dbraw/zinc/35/33/38/654353338.db2.gz QPRJFYADIGORAX-ZFWWWQNUSA-N 1 0 376.469 2.180 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)CCC1(O)CCC1)Cc1ccc(Br)cc1 ZINC000905366654 654353727 /nfs/dbraw/zinc/35/37/27/654353727.db2.gz PPJBRALXYJZCLA-RDJZCZTQSA-N 1 0 386.330 2.246 20 0 GEADRO CC[C@](O)(C[NH2+]C[C@@H](O)COc1ccccc1Br)C(F)(F)F ZINC000905367096 654353797 /nfs/dbraw/zinc/35/37/97/654353797.db2.gz IFZQRGDQTIOYFN-MFKMUULPSA-N 1 0 386.208 2.482 20 0 GEADRO O=C(NCc1ccc(Br)cn1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892617020 654353899 /nfs/dbraw/zinc/35/38/99/654353899.db2.gz RXWYFYYHJVSVON-INIZCTEOSA-N 1 0 375.270 2.358 20 0 GEADRO O=C(NCc1cc(Cl)cc(Cl)c1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000892620608 654354299 /nfs/dbraw/zinc/35/42/99/654354299.db2.gz MUKNIEGRMWYWKY-ZDUSSCGKSA-N 1 0 375.275 2.322 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872490944 654355003 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382.309 2.290 20 0 GEADRO Cc1ccc(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)c(Cl)n1 ZINC000905431781 654356677 /nfs/dbraw/zinc/35/66/77/654356677.db2.gz LIHCQFOFYSXZSU-CQSZACIVSA-N 1 0 389.949 2.135 20 0 GEADRO C[C@]1(Br)C[C@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000892674043 654357216 /nfs/dbraw/zinc/35/72/16/654357216.db2.gz KWMFIWSYOGWXCJ-DCGLDWPTSA-N 1 0 383.286 2.074 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000892679259 654357598 /nfs/dbraw/zinc/35/75/98/654357598.db2.gz MPGYGLKPKDSCAV-TUAOUCFPSA-N 1 0 382.309 2.146 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000835030323 654357658 /nfs/dbraw/zinc/35/76/58/654357658.db2.gz WPDCDBANINNOIP-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)C1(O)CCOCC1 ZINC000905464245 654359232 /nfs/dbraw/zinc/35/92/32/654359232.db2.gz FDBSTHZQWWHPCL-CYBMUJFWSA-N 1 0 398.219 2.460 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000835044869 654359631 /nfs/dbraw/zinc/35/96/31/654359631.db2.gz AAHQDSRDBZVZEY-STQMWFEESA-N 1 0 397.317 2.470 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CC2)CCO1 ZINC000892698412 654360096 /nfs/dbraw/zinc/36/00/96/654360096.db2.gz GOJJMXLHQXPUOU-IUODEOHRSA-N 1 0 382.302 2.238 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CCO1 ZINC000872506965 654360069 /nfs/dbraw/zinc/36/00/69/654360069.db2.gz MHDMZQDJJYAXPU-LBPRGKRZSA-N 1 0 380.432 2.495 20 0 GEADRO C[NH+]1CCC(OCC(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000905494550 654360934 /nfs/dbraw/zinc/36/09/34/654360934.db2.gz YITUNMAJXLBRCV-UHFFFAOYSA-N 1 0 379.258 2.442 20 0 GEADRO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000905505109 654361539 /nfs/dbraw/zinc/36/15/39/654361539.db2.gz NEQOZLKNQRGWHI-DDTOSNHZSA-N 1 0 390.249 2.259 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000892731279 654361740 /nfs/dbraw/zinc/36/17/40/654361740.db2.gz LWTKCKSHHYKZCO-NWDGAFQWSA-N 1 0 389.315 2.109 20 0 GEADRO C[C@@]1(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C[NH+]2CCC1CC2 ZINC000892757280 654362592 /nfs/dbraw/zinc/36/25/92/654362592.db2.gz DUKHCDZVYKRFBM-CRAIPNDOSA-N 1 0 393.281 2.131 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCC1 ZINC000905519393 654362695 /nfs/dbraw/zinc/36/26/95/654362695.db2.gz BONBJNCPNYNWTN-NSHDSACASA-N 1 0 396.422 2.165 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C[C@@H]1C(F)(F)F ZINC000892768831 654363255 /nfs/dbraw/zinc/36/32/55/654363255.db2.gz UZEAJKKNERGFLL-BBBLOLIVSA-N 1 0 378.313 2.165 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892783901 654364177 /nfs/dbraw/zinc/36/41/77/654364177.db2.gz QYAIXIAPZAKSAE-CYBMUJFWSA-N 1 0 386.290 2.342 20 0 GEADRO NC(=O)CC1CC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000905534973 654364482 /nfs/dbraw/zinc/36/44/82/654364482.db2.gz WXJOODCOJRSPTF-QEWOUOOISA-N 1 0 391.693 2.086 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000835141965 654364583 /nfs/dbraw/zinc/36/45/83/654364583.db2.gz LJTLNJKJZOYUKR-CYBMUJFWSA-N 1 0 395.301 2.035 20 0 GEADRO CO[C@]1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCSC1 ZINC000905547631 654365082 /nfs/dbraw/zinc/36/50/82/654365082.db2.gz ZJYLEFOPZHSDTH-HIFRSBDPSA-N 1 0 376.316 2.301 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905557392 654365928 /nfs/dbraw/zinc/36/59/28/654365928.db2.gz VGWUILULAIUNIZ-BPLDGKMQSA-N 1 0 381.416 2.213 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2cc(Cl)cc(Br)c2)CCO1 ZINC000892840636 654366166 /nfs/dbraw/zinc/36/61/66/654366166.db2.gz NMTFDRZVLFWRJP-ZDUSSCGKSA-N 1 0 376.682 2.014 20 0 GEADRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCc2sccc2C1 ZINC000892853790 654366824 /nfs/dbraw/zinc/36/68/24/654366824.db2.gz PAVGBOHXPXKUCG-BMFZPTHFSA-N 1 0 384.567 2.214 20 0 GEADRO CCO[C@@H](CNC[C@](C)(O)c1ccc(Br)cc1F)C[NH+](C)C ZINC000905580329 654367393 /nfs/dbraw/zinc/36/73/93/654367393.db2.gz OHIAFXAYLHEJKW-BBRMVZONSA-N 1 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654369528 /nfs/dbraw/zinc/36/95/28/654369528.db2.gz WOXUMQIUKKXGRY-HZPDHXFCSA-N 1 0 375.296 2.154 20 0 GEADRO CN1CCN(C(=O)NCCCc2cccc(Br)c2)CC[N@H+](C)CC1 ZINC000892912963 654370176 /nfs/dbraw/zinc/37/01/76/654370176.db2.gz ZSQBUKGWLIXGGO-UHFFFAOYSA-N 1 0 397.361 2.271 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1ccc(Br)cc1 ZINC000905624191 654370846 /nfs/dbraw/zinc/37/08/46/654370846.db2.gz KMZPKSNHOZNYQT-IAGOWNOFSA-N 1 0 399.329 2.032 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)NCCc2sccc2Br)CC1 ZINC000892939421 654371275 /nfs/dbraw/zinc/37/12/75/654371275.db2.gz KMTRZMWQALVYMM-UHFFFAOYSA-N 1 0 390.347 2.463 20 0 GEADRO CS(=O)(=O)C1CC([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000892950545 654371826 /nfs/dbraw/zinc/37/18/26/654371826.db2.gz NPBDJEQUQFUVIO-XIKARTHZSA-N 1 0 378.416 2.329 20 0 GEADRO CSc1ccc(Br)cc1CC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905650379 654372004 /nfs/dbraw/zinc/37/20/04/654372004.db2.gz CERAHDMNFFUFLM-GDBMZVCRSA-N 1 0 390.343 2.206 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000922162529 654372651 /nfs/dbraw/zinc/37/26/51/654372651.db2.gz OHRKTIBJLGKHOI-HOTGVXAUSA-N 1 0 382.302 2.227 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@@H]2CCSC(C)(C)C2)CCC1 ZINC000905664187 654372659 /nfs/dbraw/zinc/37/26/59/654372659.db2.gz RELXVUCAOJWIIJ-ZIAGYGMSSA-N 1 0 378.604 2.252 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@H]2CCSC(C)(C)C2)CCC1 ZINC000905664171 654372766 /nfs/dbraw/zinc/37/27/66/654372766.db2.gz RELXVUCAOJWIIJ-KBPBESRZSA-N 1 0 378.604 2.252 20 0 GEADRO CCn1c(C[NH2+]C[C@]2(C)CCC(=O)N2)nc(Br)c1Br ZINC000922169724 654373207 /nfs/dbraw/zinc/37/32/07/654373207.db2.gz PANJEPATEBIVIT-LBPRGKRZSA-N 1 0 394.111 2.186 20 0 GEADRO CCn1c(CNC(=O)NC[C@H]2CC[N@@H+]2C)nc2cc(Br)ccc21 ZINC000922180826 654373899 /nfs/dbraw/zinc/37/38/99/654373899.db2.gz HNLAGFAZWHNMRT-GFCCVEGCSA-N 1 0 380.290 2.322 20 0 GEADRO NS(=O)(=O)c1ccc(CCC[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000905688298 654374039 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GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC000872588106 654375944 /nfs/dbraw/zinc/37/59/44/654375944.db2.gz CDRDMKVUDGZVRT-AWEZNQCLSA-N 1 0 382.452 2.025 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)n2)[C@@H](C)C1 ZINC000835266886 654376418 /nfs/dbraw/zinc/37/64/18/654376418.db2.gz NQXPDEYRVIHXCL-QWHCGFSZSA-N 1 0 397.317 2.280 20 0 GEADRO CON1CC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000905754144 654379217 /nfs/dbraw/zinc/37/92/17/654379217.db2.gz DVFDNCAILIQBAS-OAHLLOKOSA-N 1 0 383.286 2.249 20 0 GEADRO [NH3+]C1CCN(Cc2cn(CCOc3cccc(Br)c3)nn2)CC1 ZINC000905783886 654379561 /nfs/dbraw/zinc/37/95/61/654379561.db2.gz MOXNLZGJESRLAH-UHFFFAOYSA-N 1 0 380.290 2.043 20 0 GEADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[N@@H+]3CC[C@H]2C3)cc1 ZINC000854729013 654379556 /nfs/dbraw/zinc/37/95/56/654379556.db2.gz DVNFXGSVFYETSR-AWEZNQCLSA-N 1 0 375.270 2.473 20 0 GEADRO [NH3+]C1CCN(Cc2cn(Cc3nc4cc(Br)ccc4o3)nn2)CC1 ZINC000905806780 654380905 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GEADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1Cl ZINC000855166202 654399086 /nfs/dbraw/zinc/39/90/86/654399086.db2.gz FNZGSUHVCONINM-ZDUSSCGKSA-N 1 0 387.933 2.193 20 0 GEADRO Cn1cc(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c(I)n1 ZINC000922533535 654400289 /nfs/dbraw/zinc/40/02/89/654400289.db2.gz CDDGKFLVUOUKBZ-KOMQPUFPSA-N 1 0 397.260 2.207 20 0 GEADRO C[C@H]([NH2+][C@H](CCO)c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000893491949 654403755 /nfs/dbraw/zinc/40/37/55/654403755.db2.gz WVJJSJUPXSJBTQ-SLEUVZQESA-N 1 0 376.316 2.285 20 0 GEADRO CO[C@]1(C[NH2+]C[C@H](C)c2cccc(Br)c2)CCS(=O)(=O)C1 ZINC000922619340 654404070 /nfs/dbraw/zinc/40/40/70/654404070.db2.gz POKJXFLOFOJQMU-WFASDCNBSA-N 1 0 376.316 2.346 20 0 GEADRO OC1(C[NH2+]Cc2ncc(Br)cc2F)CCC2(CC1)OCCO2 ZINC000922620515 654404460 /nfs/dbraw/zinc/40/44/60/654404460.db2.gz UFTUDFXAYCPPLN-UHFFFAOYSA-N 1 0 375.238 2.121 20 0 GEADRO COc1cc(C[NH2+][C@@H]2COC[C@@H]2C)cc(I)c1OC ZINC000922642408 654405286 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CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000922826672 654415698 /nfs/dbraw/zinc/41/56/98/654415698.db2.gz FSJGMSYGFHHXTR-ZDUSSCGKSA-N 1 0 388.283 2.204 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cccc(Br)c1Cl)C2 ZINC000873109342 654416051 /nfs/dbraw/zinc/41/60/51/654416051.db2.gz MRYUDISQSFSFNR-BJOHPYRUSA-N 1 0 386.677 2.109 20 0 GEADRO COC(=O)c1cnc(CC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)s1 ZINC000922832875 654416180 /nfs/dbraw/zinc/41/61/80/654416180.db2.gz IGETUXDHXQRPOL-UHFFFAOYSA-N 1 0 377.857 2.496 20 0 GEADRO O=C([C@@H](O)c1cccc(Br)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922845345 654416539 /nfs/dbraw/zinc/41/65/39/654416539.db2.gz OKDLZJGJBPLKNX-KRWDZBQOSA-N 1 0 397.313 2.242 20 0 GEADRO OC1(CC[NH2+]Cc2cccc(F)c2I)CCOCC1 ZINC000873126724 654417211 /nfs/dbraw/zinc/41/72/11/654417211.db2.gz WGARARXDXBRRHC-UHFFFAOYSA-N 1 0 379.213 2.452 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Cl)ncc1Br ZINC000855415400 654418056 /nfs/dbraw/zinc/41/80/56/654418056.db2.gz XKEWHWBBPAQZGS-UHFFFAOYSA-N 1 0 377.714 2.111 20 0 GEADRO Cn1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c(I)n1 ZINC000922896370 654418877 /nfs/dbraw/zinc/41/88/77/654418877.db2.gz MYAYOMCOSDRTBS-YPMHNXCESA-N 1 0 375.254 2.320 20 0 GEADRO C[C@H](CNC(=O)c1cn(C)nc1I)[N@@H+]1CCCC[C@H]1C ZINC000906149286 654418886 /nfs/dbraw/zinc/41/88/86/654418886.db2.gz GFFWACAGFKFQAD-GHMZBOCLSA-N 1 0 390.269 2.017 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+]Cc1cccc(Cl)c1Br ZINC000873149420 654418932 /nfs/dbraw/zinc/41/89/32/654418932.db2.gz UHJLJXDXVKRHEO-UHFFFAOYSA-N 1 0 377.666 2.262 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873157413 654419314 /nfs/dbraw/zinc/41/93/14/654419314.db2.gz YETHJTUKKUCEPZ-HGTKMLMNSA-N 1 0 387.933 2.252 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cn(C2CC2)c1=O ZINC000906199629 654420852 /nfs/dbraw/zinc/42/08/52/654420852.db2.gz QHDZOPKCJNLRPP-CABCVRRESA-N 1 0 380.286 2.302 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ncc(Br)cn2)C1 ZINC000893771240 654420976 /nfs/dbraw/zinc/42/09/76/654420976.db2.gz UGHDBOZLAFUUMJ-ZDUSSCGKSA-N 1 0 384.322 2.406 20 0 GEADRO Brc1ccn2cc(CNC[C@H]3CC[N@@H+]3C3CCOCC3)nc2c1 ZINC000922954482 654421747 /nfs/dbraw/zinc/42/17/47/654421747.db2.gz UXHOZJZIBHBOAC-MRXNPFEDSA-N 1 0 379.302 2.440 20 0 GEADRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000873197103 654422209 /nfs/dbraw/zinc/42/22/09/654422209.db2.gz VRZSLSHJUZRLQK-MGPLVRAMSA-N 1 0 384.274 2.412 20 0 GEADRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000873196102 654422417 /nfs/dbraw/zinc/42/24/17/654422417.db2.gz QVDDEFYELDDUBT-GTNSWQLSSA-N 1 0 385.507 2.381 20 0 GEADRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cn(C)nc2Br)c1 ZINC000873194707 654422493 /nfs/dbraw/zinc/42/24/93/654422493.db2.gz IXVAZWXOGDHFQO-MEBBXXQBSA-N 1 0 384.274 2.412 20 0 GEADRO C[NH+](C)C1(CNC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000922982571 654423143 /nfs/dbraw/zinc/42/31/43/654423143.db2.gz AHQSPTNDNCLICM-AWEZNQCLSA-N 1 0 395.301 2.096 20 0 GEADRO Cn1ncc(I)c1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000873277945 654423575 /nfs/dbraw/zinc/42/35/75/654423575.db2.gz XTIWMWRGJSLJKJ-MRVWCRGKSA-N 1 0 388.297 2.425 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cc3c(cc1Br)OCCO3)C2 ZINC000873298656 654424067 /nfs/dbraw/zinc/42/40/67/654424067.db2.gz CDWIRSJSIWTISN-MGPLVRAMSA-N 1 0 382.258 2.294 20 0 GEADRO Cc1cnc(Br)c(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873328088 654424635 /nfs/dbraw/zinc/42/46/35/654424635.db2.gz UVVYMOLQVHINDR-LBPRGKRZSA-N 1 0 383.290 2.433 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873322784 654424869 /nfs/dbraw/zinc/42/48/69/654424869.db2.gz KUDYFUWOBRKZLN-MLGOLLRUSA-N 1 0 391.273 2.436 20 0 GEADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H](c1nccs1)C(F)(F)F ZINC000873328947 654425210 /nfs/dbraw/zinc/42/52/10/654425210.db2.gz RZKCOENLKANSLJ-MNOVXSKESA-N 1 0 378.420 2.204 20 0 GEADRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)C12CCOCC2 ZINC000923033758 654425508 /nfs/dbraw/zinc/42/55/08/654425508.db2.gz BLNZATVSLFTJGU-KBPBESRZSA-N 1 0 388.555 2.238 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000923120729 654427466 /nfs/dbraw/zinc/42/74/66/654427466.db2.gz VXIKFGQNBVVKQW-BJHJDKERSA-N 1 0 382.306 2.258 20 0 GEADRO O=C(C1CC1)N1CCC([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000893871698 654428309 /nfs/dbraw/zinc/42/83/09/654428309.db2.gz MBRMTWLOLOAHNB-UHFFFAOYSA-N 1 0 384.933 2.124 20 0 GEADRO Cc1[nH+]ccc(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1Br ZINC000893877133 654428428 /nfs/dbraw/zinc/42/84/28/654428428.db2.gz UPSWOISEJMZFQK-GFCCVEGCSA-N 1 0 388.331 2.451 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)c2nnn(-c3ccccc3Br)c2C)C1 ZINC000906363648 654431433 /nfs/dbraw/zinc/43/14/33/654431433.db2.gz ZIYNDGIYDPDOFQ-CYBMUJFWSA-N 1 0 392.301 2.410 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cccc(SC(F)(F)F)c1 ZINC000855697262 654434529 /nfs/dbraw/zinc/43/45/29/654434529.db2.gz MOMPQDATRFXWHB-UHFFFAOYSA-N 1 0 377.432 2.391 20 0 GEADRO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000923262235 654440064 /nfs/dbraw/zinc/44/00/64/654440064.db2.gz XMYJBPQXILIZMS-QWHCGFSZSA-N 1 0 376.400 2.289 20 0 GEADRO COCCS(=O)(=O)c1ccc(C[NH2+]C[C@H]2C[C@]2(C)Br)cc1 ZINC000894031542 654440670 /nfs/dbraw/zinc/44/06/70/654440670.db2.gz DADDMYOZKOYIQF-HIFRSBDPSA-N 1 0 376.316 2.370 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)cc1Cl ZINC000894032207 654441261 /nfs/dbraw/zinc/44/12/61/654441261.db2.gz VQBBLBARPYSDBY-ZIAGYGMSSA-N 1 0 377.865 2.467 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C)nc2I)[C@@H](C)C1 ZINC000894050048 654442471 /nfs/dbraw/zinc/44/24/71/654442471.db2.gz LDLDDKUJPASVTK-WCQYABFASA-N 1 0 376.286 2.187 20 0 GEADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310657 654443262 /nfs/dbraw/zinc/44/32/62/654443262.db2.gz WLRCHGMQYRJTBA-ZDUSSCGKSA-N 1 0 384.307 2.130 20 0 GEADRO COCCOC[C@@H]1CC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894069357 654444091 /nfs/dbraw/zinc/44/40/91/654444091.db2.gz DAMXTBOSJKXSPI-CYBMUJFWSA-N 1 0 375.922 2.118 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873649415 654444421 /nfs/dbraw/zinc/44/44/21/654444421.db2.gz HFVFBASRZKIKRV-UHFFFAOYSA-N 1 0 379.258 2.004 20 0 GEADRO CCn1c(Br)c(Br)nc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894083350 654445142 /nfs/dbraw/zinc/44/51/42/654445142.db2.gz NLRGBEYIQYMHHK-AOOOYVTPSA-N 1 0 392.139 2.421 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000873657124 654445290 /nfs/dbraw/zinc/44/52/90/654445290.db2.gz UQKMARBQGDSZIS-UHFFFAOYSA-N 1 0 398.301 2.388 20 0 GEADRO Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000923355209 654445887 /nfs/dbraw/zinc/44/58/87/654445887.db2.gz HPOVJIKCGKLPLT-UKRRQHHQSA-N 1 0 385.295 2.113 20 0 GEADRO OC1CC[NH+](CCNc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000894105766 654447200 /nfs/dbraw/zinc/44/72/00/654447200.db2.gz KWQWXXHNAXWVJP-UHFFFAOYSA-N 1 0 377.286 2.197 20 0 GEADRO C[NH+](C)CCOc1ccc(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000906536628 654447639 /nfs/dbraw/zinc/44/76/39/654447639.db2.gz LUTOKGYEICWMRM-CYBMUJFWSA-N 1 0 383.703 2.364 20 0 GEADRO Cn1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c(I)n1 ZINC000906544177 654447801 /nfs/dbraw/zinc/44/78/01/654447801.db2.gz DZYBZMUJGJXJFR-UHFFFAOYSA-N 1 0 398.248 2.381 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923400012 654449717 /nfs/dbraw/zinc/44/97/17/654449717.db2.gz ULVPJMIRLNLQHA-GDBMZVCRSA-N 1 0 375.282 2.258 20 0 GEADRO OCC[NH2+][C@H]1CCCN(Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000923407700 654450616 /nfs/dbraw/zinc/45/06/16/654450616.db2.gz RNNGTDNZFFECNM-JTQLQIEISA-N 1 0 387.303 2.107 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000894156547 654451152 /nfs/dbraw/zinc/45/11/52/654451152.db2.gz PKFRXHJLGAGJQH-UHFFFAOYSA-N 1 0 389.315 2.464 20 0 GEADRO Cn1cc(C[NH2+]CCN2Cc3ccccc3C2)c(I)n1 ZINC000894166242 654452118 /nfs/dbraw/zinc/45/21/18/654452118.db2.gz RMSOUTOAHBXYED-UHFFFAOYSA-N 1 0 382.249 2.130 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](OC)c2ccc(Br)s2)C1 ZINC000906597558 654452541 /nfs/dbraw/zinc/45/25/41/654452541.db2.gz NKDAHFASFXBLSW-RISCZKNCSA-N 1 0 391.331 2.425 20 0 GEADRO C[C@@H](CNCc1c(I)cnn1C)[N@@H+]1CCCC[C@H]1C ZINC000894175777 654452553 /nfs/dbraw/zinc/45/25/53/654452553.db2.gz LONANJAXGHYZIL-NEPJUHHUSA-N 1 0 376.286 2.377 20 0 GEADRO Cc1cc(Br)c(CC(=O)N2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000906603629 654453122 /nfs/dbraw/zinc/45/31/22/654453122.db2.gz XQUZLADMAFFDDW-UHFFFAOYSA-N 1 0 375.332 2.277 20 0 GEADRO C[C@@H](CNCc1cn(C)nc1I)[N@@H+]1CCCC[C@H]1C ZINC000894175784 654453184 /nfs/dbraw/zinc/45/31/84/654453184.db2.gz LVGPQEMPGMTXJO-NEPJUHHUSA-N 1 0 376.286 2.377 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873717920 654453515 /nfs/dbraw/zinc/45/35/15/654453515.db2.gz HJMHYEDJAPRBII-QWRGUYRKSA-N 1 0 390.242 2.050 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906619918 654453988 /nfs/dbraw/zinc/45/39/88/654453988.db2.gz UDJXMSHRLVMUDX-NSHDSACASA-N 1 0 375.724 2.113 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)cc1OC)C(C)C ZINC000873718610 654454256 /nfs/dbraw/zinc/45/42/56/654454256.db2.gz RHUMZSRVXUJSJM-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO C[C@@H](CNCc1cn(C)nc1I)C[NH+]1CCCCC1 ZINC000894195601 654454739 /nfs/dbraw/zinc/45/47/39/654454739.db2.gz KVQQLBKWJXLONS-LBPRGKRZSA-N 1 0 376.286 2.236 20 0 GEADRO COc1ccccc1[C@H](O)C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894198470 654454807 /nfs/dbraw/zinc/45/48/07/654454807.db2.gz BBZCZMIJMPEYGM-CYBMUJFWSA-N 1 0 383.901 2.465 20 0 GEADRO Cn1ncc(I)c1CN[C@H](Cc1ccccc1)C[NH+](C)C ZINC000894200694 654455301 /nfs/dbraw/zinc/45/53/01/654455301.db2.gz UHJBMLBXKYDSQZ-CQSZACIVSA-N 1 0 398.292 2.287 20 0 GEADRO COCCOCCOc1ccc(NC(=O)C(C)(C)[NH3+])cc1Br ZINC000906640279 654455974 /nfs/dbraw/zinc/45/59/74/654455974.db2.gz PAHDGQXWPOZODY-UHFFFAOYSA-N 1 0 375.263 2.167 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)c2nscc2I)CC1 ZINC000906674037 654459251 /nfs/dbraw/zinc/45/92/51/654459251.db2.gz PJEMKDNONCQMOA-UHFFFAOYSA-N 1 0 379.267 2.162 20 0 GEADRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c(C2CC2)n1 ZINC000894252448 654459289 /nfs/dbraw/zinc/45/92/89/654459289.db2.gz ZYMVPZKTKBRXCL-UHFFFAOYSA-N 1 0 386.880 2.158 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521766 654459701 /nfs/dbraw/zinc/45/97/01/654459701.db2.gz UMWVWFNZDIGQNM-QWHCGFSZSA-N 1 0 399.276 2.079 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cc2c(cccc2O)s1)NC[C@H]1CCCCO1 ZINC000894276036 654461443 /nfs/dbraw/zinc/46/14/43/654461443.db2.gz MCRXDRUMAVIWKL-CYBMUJFWSA-N 1 0 384.523 2.185 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000906702276 654462586 /nfs/dbraw/zinc/46/25/86/654462586.db2.gz XDQVWDRKHLWEFB-LLVKDONJSA-N 1 0 379.766 2.291 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000906705788 654462966 /nfs/dbraw/zinc/46/29/66/654462966.db2.gz JJRAJYBRKOTDBZ-GFCCVEGCSA-N 1 0 375.416 2.236 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1cnc(Br)cn1 ZINC000923533471 654463654 /nfs/dbraw/zinc/46/36/54/654463654.db2.gz LRKAJIIKYJXOFA-UHFFFAOYSA-N 1 0 382.262 2.106 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906717103 654464164 /nfs/dbraw/zinc/46/41/64/654464164.db2.gz OROUJQPPVAQVSQ-UHFFFAOYSA-N 1 0 380.286 2.344 20 0 GEADRO CSC1(C[NH2+]Cc2c(I)cnn2C)CCOCC1 ZINC000894310128 654464269 /nfs/dbraw/zinc/46/42/69/654464269.db2.gz POPHRSOXZIRCIT-UHFFFAOYSA-N 1 0 381.283 2.027 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(I)n1 ZINC000894313738 654464704 /nfs/dbraw/zinc/46/47/04/654464704.db2.gz VPZHZOHLYDFVRC-UTUOFQBUSA-N 1 0 375.254 2.318 20 0 GEADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2I)C1 ZINC000894323367 654465181 /nfs/dbraw/zinc/46/51/81/654465181.db2.gz FAFNAFHSTKSHKX-CLUVUEOHSA-N 1 0 395.310 2.194 20 0 GEADRO O=C(NCc1cnc(Br)cn1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000923545051 654466258 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COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000906749579 654467753 /nfs/dbraw/zinc/46/77/53/654467753.db2.gz XXKIUSQIXMRYFQ-SNVBAGLBSA-N 1 0 375.803 2.053 20 0 GEADRO Ic1cnn2c1CN(Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000923549499 654467920 /nfs/dbraw/zinc/46/79/20/654467920.db2.gz KCSGBZPQXNJEJN-UHFFFAOYSA-N 1 0 394.260 2.149 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(F)cc(F)c1Br)C2 ZINC000906751765 654468111 /nfs/dbraw/zinc/46/81/11/654468111.db2.gz DAXLBGRKPCPEHX-HGNGGELXSA-N 1 0 388.212 2.004 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(I)n1 ZINC000894358518 654468977 /nfs/dbraw/zinc/46/89/77/654468977.db2.gz GNXWIZJHTLKZEH-YNEHKIRRSA-N 1 0 387.265 2.462 20 0 GEADRO C[C@@H](c1ccncc1)[NH+]1CCC(NCc2nc(Br)nn2C)CC1 ZINC000894359612 654469457 /nfs/dbraw/zinc/46/94/57/654469457.db2.gz PKQKSWBJJNTIOY-LBPRGKRZSA-N 1 0 379.306 2.288 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906767892 654470092 /nfs/dbraw/zinc/47/00/92/654470092.db2.gz VQQMWLRUPYSDPY-QGZVFWFLSA-N 1 0 380.286 2.359 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)cc1Br ZINC000906766884 654470179 /nfs/dbraw/zinc/47/01/79/654470179.db2.gz YXTBRKXAGPXGFT-QGZVFWFLSA-N 1 0 380.286 2.359 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c(I)n1 ZINC000894370395 654470475 /nfs/dbraw/zinc/47/04/75/654470475.db2.gz KPHMRRXZNDXVQU-GMTAPVOTSA-N 1 0 395.335 2.494 20 0 GEADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cn(C)nc1I ZINC000894371150 654470491 /nfs/dbraw/zinc/47/04/91/654470491.db2.gz WSQXYAUUZJBJOK-MWLCHTKSSA-N 1 0 375.210 2.220 20 0 GEADRO O=C(c1nscc1I)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000906775912 654470991 /nfs/dbraw/zinc/47/09/91/654470991.db2.gz XDHTXXPERCIYNZ-JTQLQIEISA-N 1 0 391.278 2.306 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906780317 654471429 /nfs/dbraw/zinc/47/14/29/654471429.db2.gz ZXWIKWIRIOGUHJ-GTNSWQLSSA-N 1 0 396.285 2.045 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1nscc1I ZINC000906792827 654472819 /nfs/dbraw/zinc/47/28/19/654472819.db2.gz OKSOZHURIBRDNB-WPRPVWTQSA-N 1 0 379.267 2.160 20 0 GEADRO O=C(c1ccc(C(F)(F)F)nc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856253112 654473083 /nfs/dbraw/zinc/47/30/83/654473083.db2.gz FWVDLGQAKXGSME-LLVKDONJSA-N 1 0 377.794 2.425 20 0 GEADRO O=C(c1cc(Br)ncc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856253739 654473205 /nfs/dbraw/zinc/47/32/05/654473205.db2.gz OQCYVDLMLWIVPY-LLVKDONJSA-N 1 0 388.693 2.169 20 0 GEADRO O=S(=O)(c1occc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923645997 654473329 /nfs/dbraw/zinc/47/33/29/654473329.db2.gz QSSFRUYCWUHVKJ-RYUDHWBXSA-N 1 0 377.304 2.442 20 0 GEADRO Cc1c(C(=O)N2CCN(C)[C@@H](C)C2)nnn1-c1ccccc1Br ZINC000906816285 654475110 /nfs/dbraw/zinc/47/51/10/654475110.db2.gz SVNJUOUVGAPBPM-NSHDSACASA-N 1 0 378.274 2.114 20 0 GEADRO O=S(=O)(NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(F)cc1Br ZINC000923676992 654475413 /nfs/dbraw/zinc/47/54/13/654475413.db2.gz XDXWYMZKGFQGSR-ZIAGYGMSSA-N 1 0 377.279 2.399 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000894431925 654475418 /nfs/dbraw/zinc/47/54/18/654475418.db2.gz KDERNRPBTULJBW-UHFFFAOYSA-N 1 0 382.917 2.327 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)NCc2cnc(Cl)s2)CC1 ZINC000923686355 654476871 /nfs/dbraw/zinc/47/68/71/654476871.db2.gz UVRMALCOAPBGJA-UHFFFAOYSA-N 1 0 390.937 2.065 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873882547 654477191 /nfs/dbraw/zinc/47/71/91/654477191.db2.gz KPGCYHCMGNGOAZ-JTQLQIEISA-N 1 0 379.258 2.002 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)N3CCC4(CO[C@H](C[NH3+])C4)CC3)cc2s1 ZINC000923688260 654477353 /nfs/dbraw/zinc/47/73/53/654477353.db2.gz QIHBMRFUTNXAAW-ZDUSSCGKSA-N 1 0 381.523 2.123 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923697450 654478303 /nfs/dbraw/zinc/47/83/03/654478303.db2.gz QFTSLCYFJSTLAF-STQMWFEESA-N 1 0 376.906 2.113 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CC[C@@H]1C[NH3+] ZINC000923699702 654478672 /nfs/dbraw/zinc/47/86/72/654478672.db2.gz NHWAATSVQVHUKN-DTWKUNHWSA-N 1 0 382.711 2.103 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3csc(Br)n3)cn2)CC1 ZINC000873901588 654479812 /nfs/dbraw/zinc/47/98/12/654479812.db2.gz ANJDQJOPTNUKMT-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@H](C)[NH2+]1 ZINC000856409469 654479856 /nfs/dbraw/zinc/47/98/56/654479856.db2.gz SHADVXWKUDXEIE-CMPLNLGQSA-N 1 0 389.315 2.065 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923705106 654479911 /nfs/dbraw/zinc/47/99/11/654479911.db2.gz VUIUWMSEBWLIRS-QWRGUYRKSA-N 1 0 377.304 2.063 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c(Br)nc3n2CCCC3)CCO1 ZINC000856430659 654481185 /nfs/dbraw/zinc/48/11/85/654481185.db2.gz KBIMITYXCSWHAR-CYBMUJFWSA-N 1 0 399.333 2.165 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)NCCCCn3cc(Br)cn3)C[C@]2(C)C1 ZINC000894515804 654482531 /nfs/dbraw/zinc/48/25/31/654482531.db2.gz UWNDBRCIXCYNDU-CJNGLKHVSA-N 1 0 384.322 2.019 20 0 GEADRO C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccc(Br)cn1 ZINC000894539491 654484551 /nfs/dbraw/zinc/48/45/51/654484551.db2.gz WJJXZRKBPJVZSC-RCBQFDQVSA-N 1 0 397.317 2.146 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2cccn3ncc(Br)c23)CCSC1 ZINC000906899582 654484629 /nfs/dbraw/zinc/48/46/29/654484629.db2.gz ANJRSIXBIVDOOS-HNNXBMFYSA-N 1 0 383.315 2.264 20 0 GEADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3cccs3)C2)ccn1 ZINC000856539527 654484777 /nfs/dbraw/zinc/48/47/77/654484777.db2.gz DUBDKOLOZJIVGG-INIZCTEOSA-N 1 0 381.523 2.437 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1c(Br)nc2n1CCOC2)c1cccs1 ZINC000856728964 654487360 /nfs/dbraw/zinc/48/73/60/654487360.db2.gz BOTGQCAZJIICTD-SNVBAGLBSA-N 1 0 399.314 2.270 20 0 GEADRO O=C(NCc1ccsc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000894648083 654492474 /nfs/dbraw/zinc/49/24/74/654492474.db2.gz DTZKLIHGZLXIBT-QWHCGFSZSA-N 1 0 388.331 2.251 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)NCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856830060 654496320 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CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCc1sccc1Br ZINC000929861754 654693398 /nfs/dbraw/zinc/69/33/98/654693398.db2.gz CGWNGITVJDBVMZ-UHFFFAOYSA-N 1 0 390.347 2.173 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000929885937 654694079 /nfs/dbraw/zinc/69/40/79/654694079.db2.gz KAGIYUWBJRICAO-UKRRQHHQSA-N 1 0 398.301 2.300 20 0 GEADRO COCC(COC)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000929884348 654694094 /nfs/dbraw/zinc/69/40/94/654694094.db2.gz CWUSSUUHBLDBNL-LBPRGKRZSA-N 1 0 386.290 2.156 20 0 GEADRO O=C(Nc1nnc(-c2ccsc2)s1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929908716 654694623 /nfs/dbraw/zinc/69/46/23/654694623.db2.gz LOHHRWJVWKJZKM-OLZOCXBDSA-N 1 0 379.511 2.330 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929955095 654696005 /nfs/dbraw/zinc/69/60/05/654696005.db2.gz KXTXKXOVGPQTGL-MRXNPFEDSA-N 1 0 397.313 2.376 20 0 GEADRO COc1ccc(NC(=O)N2CCN(C)CC[N@H+](C)CC2)c(Br)c1 ZINC000930141231 654700304 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O=C(NCC[NH+]1CCC(O)CC1)Nc1cc(F)c(Br)cc1F ZINC000930529716 654712528 /nfs/dbraw/zinc/71/25/28/654712528.db2.gz GOQLHWCHRYELOU-UHFFFAOYSA-N 1 0 378.217 2.306 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)C1(O)CCC1)c1ccc(Br)cc1OCCCO ZINC000930531419 654712551 /nfs/dbraw/zinc/71/25/51/654712551.db2.gz JZFFSQOMPVHMJT-LRDDRELGSA-N 1 0 388.302 2.137 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cn2ncnc12 ZINC000930544203 654712698 /nfs/dbraw/zinc/71/26/98/654712698.db2.gz DVXQVZRAIDCMNU-VXGBXAGGSA-N 1 0 380.290 2.342 20 0 GEADRO O=C(C(=O)N1CCSCC1)N(C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000910865194 654712847 /nfs/dbraw/zinc/71/28/47/654712847.db2.gz QXNJPIAYMZGZIG-CQSZACIVSA-N 1 0 381.929 2.248 20 0 GEADRO O=[S@](CC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1)C(F)(F)F ZINC000930558918 654713458 /nfs/dbraw/zinc/71/34/58/654713458.db2.gz QFWTVWDPZUNFEV-WVDJIFEKSA-N 1 0 378.185 2.480 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000911032950 654715773 /nfs/dbraw/zinc/71/57/73/654715773.db2.gz GUHKRBUXUKMLHY-IWSPIJDZSA-N 1 0 383.823 2.317 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000911038724 654715869 /nfs/dbraw/zinc/71/58/69/654715869.db2.gz FGDZVVQQSZTTJV-TZMCWYRMSA-N 1 0 386.323 2.404 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000911112428 654717256 /nfs/dbraw/zinc/71/72/56/654717256.db2.gz OWXGISSIMRUEGB-UCMVZMLTSA-N 1 0 379.913 2.333 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Cl ZINC000911197055 654719403 /nfs/dbraw/zinc/71/94/03/654719403.db2.gz WUQUYQQDKYWQEW-DGCLKSJQSA-N 1 0 377.794 2.003 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N2CCC([NH2+]C3CCC3)CC2)c1 ZINC000930814377 654720702 /nfs/dbraw/zinc/72/07/02/654720702.db2.gz NTLFZURWCOAJPA-UHFFFAOYSA-N 1 0 383.290 2.286 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000911258918 654721070 /nfs/dbraw/zinc/72/10/70/654721070.db2.gz UPTIUJWRLDUQGM-GVJMRKKJSA-N 1 0 396.221 2.065 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911311176 654722163 /nfs/dbraw/zinc/72/21/63/654722163.db2.gz BVNLOTBZYANJJH-OAHLLOKOSA-N 1 0 397.317 2.143 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000911333125 654722430 /nfs/dbraw/zinc/72/24/30/654722430.db2.gz RFKSUSZDLMIXQE-BXKDBHETSA-N 1 0 398.212 2.348 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)CC[C@@H]1C(F)(F)F ZINC000911338948 654722620 /nfs/dbraw/zinc/72/26/20/654722620.db2.gz SKNHKXIUVKOJKT-GXSJLCMTSA-N 1 0 398.212 2.348 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000911356117 654723003 /nfs/dbraw/zinc/72/30/03/654723003.db2.gz DRPCJQGVNOZPID-JTQLQIEISA-N 1 0 377.794 2.172 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000930930096 654723765 /nfs/dbraw/zinc/72/37/65/654723765.db2.gz BJANOSTVXYECEK-AWEZNQCLSA-N 1 0 396.333 2.396 20 0 GEADRO COc1ccc(Br)cc1C1(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000911496560 654724858 /nfs/dbraw/zinc/72/48/58/654724858.db2.gz LCDGJKTUYYWXAD-KRWDZBQOSA-N 1 0 397.313 2.410 20 0 GEADRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1C=O ZINC000930980027 654725478 /nfs/dbraw/zinc/72/54/78/654725478.db2.gz IANUIRKNFFMRNU-UHFFFAOYSA-N 1 0 393.285 2.199 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)ccc1Br ZINC000911562436 654726142 /nfs/dbraw/zinc/72/61/42/654726142.db2.gz CNTQUGGWMUSFND-XNRPHZJLSA-N 1 0 394.313 2.275 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000911564420 654726338 /nfs/dbraw/zinc/72/63/38/654726338.db2.gz YPEUPGAVJTVHBJ-WBIUFABUSA-N 1 0 398.276 2.105 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccccc1SC(F)(F)F ZINC000911575247 654726921 /nfs/dbraw/zinc/72/69/21/654726921.db2.gz HOQGEEOVZOGPON-UHFFFAOYSA-N 1 0 377.432 2.358 20 0 GEADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2nscc2I)C1(C)C ZINC000911581571 654727129 /nfs/dbraw/zinc/72/71/29/654727129.db2.gz ZDDORFTZZBIYIK-RKDXNWHRSA-N 1 0 379.267 2.206 20 0 GEADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1nscc1I ZINC000911583209 654727145 /nfs/dbraw/zinc/72/71/45/654727145.db2.gz GICDBBIXIYXPKZ-DTORHVGOSA-N 1 0 377.251 2.104 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccc(Br)cc1F ZINC000911583075 654727160 /nfs/dbraw/zinc/72/71/60/654727160.db2.gz VNBYQRYYMRSJNM-AWEZNQCLSA-N 1 0 388.281 2.036 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000931044792 654727747 /nfs/dbraw/zinc/72/77/47/654727747.db2.gz YUWBFOMGLXQDSO-SWLSCSKDSA-N 1 0 375.332 2.247 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(Br)cnc1Br ZINC000911706725 654730194 /nfs/dbraw/zinc/73/01/94/654730194.db2.gz HOWFVLXWCTZKLX-MRVPVSSYSA-N 1 0 377.080 2.336 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1cc(F)c(Br)cc1F ZINC000931170545 654731630 /nfs/dbraw/zinc/73/16/30/654731630.db2.gz AOBNCHDKLUMLSB-YHAQOWFVSA-N 1 0 380.229 2.280 20 0 GEADRO OC[C@]1([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CCc2cc(Br)ccc2C1 ZINC000931175048 654731933 /nfs/dbraw/zinc/73/19/33/654731933.db2.gz CVZUYARDZGBBEP-UBDQQSCGSA-N 1 0 382.298 2.062 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)cnc2Br)C[C@@H](C)[NH2+]1 ZINC000911798201 654732277 /nfs/dbraw/zinc/73/22/77/654732277.db2.gz UJFGADPPFAPICK-HTQZYQBOSA-N 1 0 377.080 2.429 20 0 GEADRO C[C@@H]1CCCN(C(=O)C[C@@H]2c3cc(Br)ccc3NC2=O)[C@@H]1C[NH3+] ZINC000911825285 654733172 /nfs/dbraw/zinc/73/31/72/654733172.db2.gz NTTZPDAHKIQUDV-WDBKCZKBSA-N 1 0 380.286 2.461 20 0 GEADRO C[C@@H]1CCCN(C(=O)C[C@H]2c3cc(Br)ccc3NC2=O)[C@@H]1C[NH3+] ZINC000911825281 654733241 /nfs/dbraw/zinc/73/32/41/654733241.db2.gz NTTZPDAHKIQUDV-RIEGTJTDSA-N 1 0 380.286 2.461 20 0 GEADRO CC1([NH+]2CCCC2)CCC(NC(=O)C(=O)NCc2ncc(Cl)s2)CC1 ZINC000931200960 654733465 /nfs/dbraw/zinc/73/34/65/654733465.db2.gz GTPZIACVFUWWGA-UHFFFAOYSA-N 1 0 384.933 2.326 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855868 654734374 /nfs/dbraw/zinc/73/43/74/654734374.db2.gz JAWMSEBMMKPRLD-NTZNESFSSA-N 1 0 378.270 2.228 20 0 GEADRO CC[C@@H](NC(=O)CN1CCCC[C@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000931226799 654734675 /nfs/dbraw/zinc/73/46/75/654734675.db2.gz XQBWSDOPTXUWSU-JKSUJKDBSA-N 1 0 387.933 2.050 20 0 GEADRO CCOc1ccc([C@]2(C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)CC2(Cl)Cl)cc1 ZINC000911879347 654735053 /nfs/dbraw/zinc/73/50/53/654735053.db2.gz DQMWQFDHPKBITF-PVUWLOKVSA-N 1 0 387.307 2.475 20 0 GEADRO CCOc1ccc(Br)c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000911881571 654735062 /nfs/dbraw/zinc/73/50/62/654735062.db2.gz FPOWEUCIRAUJEG-JOYOIKCWSA-N 1 0 375.238 2.175 20 0 GEADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000911926224 654736389 /nfs/dbraw/zinc/73/63/89/654736389.db2.gz QSCVOWSGHDHRHL-MRXNPFEDSA-N 1 0 377.491 2.106 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000911950857 654737543 /nfs/dbraw/zinc/73/75/43/654737543.db2.gz CQOFQLUXZICOGF-DVYJOKAKSA-N 1 0 396.818 2.320 20 0 GEADRO Cn1c(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc2cc(Br)cnc21 ZINC000931346830 654738818 /nfs/dbraw/zinc/73/88/18/654738818.db2.gz NOHJBRSHCSWLFN-UHFFFAOYSA-N 1 0 391.273 2.346 20 0 GEADRO Brc1nnc(-c2ccc(N3CC[NH+]([C@H]4CCOC4)CC3)cc2)o1 ZINC000911989818 654738938 /nfs/dbraw/zinc/73/89/38/654738938.db2.gz FCFFLBUDNYZASQ-AWEZNQCLSA-N 1 0 379.258 2.410 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)ccc1Cl ZINC000911993342 654738990 /nfs/dbraw/zinc/73/89/90/654738990.db2.gz SYRDVBSUCDDUIR-DVOMOZLQSA-N 1 0 385.917 2.165 20 0 GEADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1C[NH2+]CCN1C ZINC000912012768 654739917 /nfs/dbraw/zinc/73/99/17/654739917.db2.gz HHDDFXPPNXVKRC-HNNXBMFYSA-N 1 0 387.311 2.074 20 0 GEADRO CNC(=O)c1cccc(NC(=O)NCC2([NH+](C)C)CCC2)c1Br ZINC000931404936 654741055 /nfs/dbraw/zinc/74/10/55/654741055.db2.gz CNAMXOFNKXKZNP-UHFFFAOYSA-N 1 0 383.290 2.415 20 0 GEADRO C[NH+]1CCC(CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000931433140 654742444 /nfs/dbraw/zinc/74/24/44/654742444.db2.gz PZWJEPYQHAYCRD-CQSZACIVSA-N 1 0 380.286 2.333 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435756 654742697 /nfs/dbraw/zinc/74/26/97/654742697.db2.gz NOHMDWVSDHESKX-QWHCGFSZSA-N 1 0 386.359 2.353 20 0 GEADRO Cc1ncc([C@@H](C)[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000931468616 654743054 /nfs/dbraw/zinc/74/30/54/654743054.db2.gz ZEISPYCZLASQHE-RISCZKNCSA-N 1 0 375.560 2.104 20 0 GEADRO Cc1ccc(NC(=O)CN2CCC(O)(C[NH+](C)C)CC2)c(Br)c1 ZINC000931483346 654743555 /nfs/dbraw/zinc/74/35/55/654743555.db2.gz HOBCBPFPWXDUAU-UHFFFAOYSA-N 1 0 384.318 2.085 20 0 GEADRO C[NH+](C)CC1(O)CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000931482498 654743600 /nfs/dbraw/zinc/74/36/00/654743600.db2.gz VTYZUSWZGGDKBX-OAHLLOKOSA-N 1 0 375.282 2.010 20 0 GEADRO O=C(CN1CC[NH+](CCCCCO)CC1)Nc1ccccc1Br ZINC000931496753 654744092 /nfs/dbraw/zinc/74/40/92/654744092.db2.gz GRDIYECHRXTZHV-UHFFFAOYSA-N 1 0 384.318 2.168 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@H]([NH3+])C(C)(C)C)s1 ZINC000912169092 654744674 /nfs/dbraw/zinc/74/46/74/654744674.db2.gz RBKFTJKOGHZHGB-ZDUSSCGKSA-N 1 0 375.560 2.158 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@](C)(C[NH3+])CC(C)C)s1 ZINC000912168414 654744696 /nfs/dbraw/zinc/74/46/96/654744696.db2.gz HISVRBUFCNOYQD-KRWDZBQOSA-N 1 0 389.587 2.406 20 0 GEADRO CC(C)[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)c1ccc(Cl)cc1 ZINC000912180953 654745273 /nfs/dbraw/zinc/74/52/73/654745273.db2.gz LZVMDDKWDFGTAX-VUNQQRPYSA-N 1 0 384.929 2.176 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000931550750 654746391 /nfs/dbraw/zinc/74/63/91/654746391.db2.gz YYIWSIMDFGVBLE-ZIAGYGMSSA-N 1 0 383.290 2.215 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N[C@H](c1nccs1)C(F)(F)F ZINC000931556588 654746633 /nfs/dbraw/zinc/74/66/33/654746633.db2.gz ABGGTZAWJKEHEN-VXGBXAGGSA-N 1 0 378.420 2.299 20 0 GEADRO CCN(C(=O)c1cc(Br)cn(CC[NH3+])c1=O)c1ccc(OC)cc1 ZINC000912277140 654748531 /nfs/dbraw/zinc/74/85/31/654748531.db2.gz RUXZBWQMYDVOHQ-UHFFFAOYSA-N 1 0 394.269 2.245 20 0 GEADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000912286480 654748631 /nfs/dbraw/zinc/74/86/31/654748631.db2.gz BJNRUEYSMVMBTB-ZDUSSCGKSA-N 1 0 387.735 2.115 20 0 GEADRO COC1(OC)CCOC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000931668304 654752227 /nfs/dbraw/zinc/75/22/27/654752227.db2.gz PGDRNAVNCZTSNQ-NHYWBVRUSA-N 1 0 380.268 2.101 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000931689526 654753491 /nfs/dbraw/zinc/75/34/91/654753491.db2.gz ZDMRDFRKITUJNK-OLZOCXBDSA-N 1 0 383.290 2.215 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@H]2c2cccc(Br)c2)C1 ZINC000912510515 654757385 /nfs/dbraw/zinc/75/73/85/654757385.db2.gz INAKCTOTYHINOH-WMZOPIPTSA-N 1 0 397.313 2.196 20 0 GEADRO C[NH+](C)CCCOC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000912591310 654760390 /nfs/dbraw/zinc/76/03/90/654760390.db2.gz DKRSGJIHLGDNSJ-UHFFFAOYSA-N 1 0 383.297 2.157 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCC[NH+](C)C)c1 ZINC000912591608 654760462 /nfs/dbraw/zinc/76/04/62/654760462.db2.gz DLDZEVLQTGALCC-UHFFFAOYSA-N 1 0 376.906 2.477 20 0 GEADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)C(F)F)C12CCC2 ZINC000912601513 654760690 /nfs/dbraw/zinc/76/06/90/654760690.db2.gz VLZXZRUORMONEJ-GHMZBOCLSA-N 1 0 378.466 2.347 20 0 GEADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000912649106 654761971 /nfs/dbraw/zinc/76/19/71/654761971.db2.gz OVQWVNHPLCTGTA-GXTWGEPZSA-N 1 0 387.933 2.322 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1c[nH]nc1I ZINC000912802181 654768867 /nfs/dbraw/zinc/76/88/67/654768867.db2.gz AOLHLKGVSSNPCC-CMPLNLGQSA-N 1 0 390.269 2.207 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1ccc(Br)cc1=O ZINC000912803295 654768877 /nfs/dbraw/zinc/76/88/77/654768877.db2.gz NIVJALNGPDJARU-ZFWWWQNUSA-N 1 0 384.318 2.190 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000912814308 654769130 /nfs/dbraw/zinc/76/91/30/654769130.db2.gz VOHMBCNQCXSHFB-DZGCQCFKSA-N 1 0 384.318 2.190 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000932209919 654770447 /nfs/dbraw/zinc/77/04/47/654770447.db2.gz GYVVASYAMOIDBO-BXUZGUMPSA-N 1 0 389.315 2.144 20 0 GEADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCC([NH+]2CCC2)CC1 ZINC000912884849 654772494 /nfs/dbraw/zinc/77/24/94/654772494.db2.gz FXVBKIIEHQRERW-INIZCTEOSA-N 1 0 393.281 2.227 20 0 GEADRO O=C(Nc1n[nH]cc1I)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000912886589 654772688 /nfs/dbraw/zinc/77/26/88/654772688.db2.gz AWPAIWFGWHLSEL-LBPRGKRZSA-N 1 0 396.232 2.475 20 0 GEADRO NC(=O)[C@](O)(C[N@@H+]1CCC[C@H]1c1cncc(Br)c1)c1ccccc1 ZINC000932253762 654772813 /nfs/dbraw/zinc/77/28/13/654772813.db2.gz QVJAVEVUXYLJDU-WMZOPIPTSA-N 1 0 390.281 2.354 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1I ZINC000912914271 654774130 /nfs/dbraw/zinc/77/41/30/654774130.db2.gz ZALSEVDRRCGVIE-LBPRGKRZSA-N 1 0 386.233 2.220 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000932297902 654774286 /nfs/dbraw/zinc/77/42/86/654774286.db2.gz FJDSQAJNPISSHW-JSGCOSHPSA-N 1 0 392.297 2.475 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912924139 654774464 /nfs/dbraw/zinc/77/44/64/654774464.db2.gz RRRRVTTWQLNIRQ-CYBMUJFWSA-N 1 0 381.270 2.069 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000932310761 654774801 /nfs/dbraw/zinc/77/48/01/654774801.db2.gz JSAXUMZCFLRLME-WCQYABFASA-N 1 0 380.286 2.333 20 0 GEADRO C[NH+](C)C1CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000932363524 654776120 /nfs/dbraw/zinc/77/61/20/654776120.db2.gz XEMBJMOUUMASEW-CYBMUJFWSA-N 1 0 380.286 2.428 20 0 GEADRO Cc1cc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)oc1Br ZINC000932418277 654777088 /nfs/dbraw/zinc/77/70/88/654777088.db2.gz LKEFQHGKVJAOJJ-UHFFFAOYSA-N 1 0 386.290 2.023 20 0 GEADRO CC[N@H+](CCC(N)=O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000932480023 654778825 /nfs/dbraw/zinc/77/88/25/654778825.db2.gz BSTILMHABUFYRA-NSHDSACASA-N 1 0 379.682 2.040 20 0 GEADRO Cc1ccc2[nH]c(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2c1Br ZINC000932524126 654780302 /nfs/dbraw/zinc/78/03/02/654780302.db2.gz CTKKNBZJNGGBDG-LBPRGKRZSA-N 1 0 379.302 2.214 20 0 GEADRO O=C(NCc1ccnc(Br)c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000913078663 654781694 /nfs/dbraw/zinc/78/16/94/654781694.db2.gz GLVOJJCQIQZOCF-GOSISDBHSA-N 1 0 390.281 2.097 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000932678585 654785524 /nfs/dbraw/zinc/78/55/24/654785524.db2.gz IQGKCYQOLOHMKM-UHFFFAOYSA-N 1 0 395.301 2.280 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1nscc1I ZINC000913159178 654785665 /nfs/dbraw/zinc/78/56/65/654785665.db2.gz KNRIUSABYOLSIS-JTQLQIEISA-N 1 0 391.278 2.494 20 0 GEADRO C[C@@H](CNC(=O)c1cnc(CCC(F)(F)F)s1)C[NH+]1CCN(C)CC1 ZINC000932714994 654786316 /nfs/dbraw/zinc/78/63/16/654786316.db2.gz YDDIOQSSXFGGIQ-LBPRGKRZSA-N 1 0 378.464 2.251 20 0 GEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)C[C@@]2(C)C1 ZINC000913273001 654787744 /nfs/dbraw/zinc/78/77/44/654787744.db2.gz DZSLSQIRVOPERU-QZTJIDSGSA-N 1 0 394.313 2.360 20 0 GEADRO O=C1NCCC2(CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)O1 ZINC000932768851 654789346 /nfs/dbraw/zinc/78/93/46/654789346.db2.gz QEKIGKMRJMIHFY-CQSZACIVSA-N 1 0 399.285 2.153 20 0 GEADRO Cc1ncc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(C)c1Br ZINC000932775439 654789547 /nfs/dbraw/zinc/78/95/47/654789547.db2.gz NFDXTGRDDZAMAJ-WDEREUQCSA-N 1 0 385.306 2.380 20 0 GEADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)C2 ZINC000913423677 654791278 /nfs/dbraw/zinc/79/12/78/654791278.db2.gz IJLPDUHNPYWYCL-GOSISDBHSA-N 1 0 381.314 2.489 20 0 GEADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C2 ZINC000913423678 654791310 /nfs/dbraw/zinc/79/13/10/654791310.db2.gz IJLPDUHNPYWYCL-SFHVURJKSA-N 1 0 381.314 2.489 20 0 GEADRO C[C@@H]1CN(CC[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)CCO1 ZINC000932818193 654792205 /nfs/dbraw/zinc/79/22/05/654792205.db2.gz QBZNUCYBKLUZHX-CRAIPNDOSA-N 1 0 383.330 2.453 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2ccccc2[S@](=O)C(F)(F)F)CCOCC1 ZINC000932826315 654792461 /nfs/dbraw/zinc/79/24/61/654792461.db2.gz VQQMHTBBKUDBFK-VWLOTQADSA-N 1 0 378.416 2.155 20 0 GEADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1c(F)ccc(Br)c1F)CC2 ZINC000932836783 654792934 /nfs/dbraw/zinc/79/29/34/654792934.db2.gz XJXUOFHKEVMNHL-SNVBAGLBSA-N 1 0 389.240 2.190 20 0 GEADRO Cc1cc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cnc1Br ZINC000932914491 654794130 /nfs/dbraw/zinc/79/41/30/654794130.db2.gz WIRGGPQNDRGFHF-OAHLLOKOSA-N 1 0 381.318 2.005 20 0 GEADRO Cc1csc(C[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000933124382 654803000 /nfs/dbraw/zinc/80/30/00/654803000.db2.gz XWVIENQXPZVFRX-MNOVXSKESA-N 1 0 378.420 2.093 20 0 GEADRO Cc1csc(C[C@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000933124380 654803040 /nfs/dbraw/zinc/80/30/40/654803040.db2.gz XWVIENQXPZVFRX-GHMZBOCLSA-N 1 0 378.420 2.093 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000913682593 654804224 /nfs/dbraw/zinc/80/42/24/654804224.db2.gz NOVBBLGTSCQAQZ-UHFFFAOYSA-N 1 0 377.432 2.108 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@H](O)c1cccc(Br)c1 ZINC000913770635 654808579 /nfs/dbraw/zinc/80/85/79/654808579.db2.gz WWJRFWLBVRWSJV-MRXNPFEDSA-N 1 0 397.313 2.053 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1nscc1I ZINC000913815768 654810851 /nfs/dbraw/zinc/81/08/51/654810851.db2.gz QTZDTHORNWRRES-UWVGGRQHSA-N 1 0 377.251 2.056 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC000933436713 654812984 /nfs/dbraw/zinc/81/29/84/654812984.db2.gz GKRASDZUKFDTID-ZBFHGGJFSA-N 1 0 390.343 2.157 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cn3ncnc23)[C@H](C)C1 ZINC000933439492 654813762 /nfs/dbraw/zinc/81/37/62/654813762.db2.gz QQTFCVRXBDHNFE-BXUZGUMPSA-N 1 0 380.290 2.294 20 0 GEADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000933444371 654813832 /nfs/dbraw/zinc/81/38/32/654813832.db2.gz LSLBCBBUWNNZSD-QGZVFWFLSA-N 1 0 386.876 2.210 20 0 GEADRO COC(=O)c1cnc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cn1 ZINC000933442880 654813979 /nfs/dbraw/zinc/81/39/79/654813979.db2.gz WINATJPQMSLTHS-QGZVFWFLSA-N 1 0 394.269 2.109 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)o1 ZINC000933449632 654814017 /nfs/dbraw/zinc/81/40/17/654814017.db2.gz PZIBUSMQQCLYDR-KRWDZBQOSA-N 1 0 386.901 2.267 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC[N@@H+]1C ZINC000933491279 654814898 /nfs/dbraw/zinc/81/48/98/654814898.db2.gz LMNKTTDFWCREFI-NQBHXWOUSA-N 1 0 380.286 2.474 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000933491472 654814914 /nfs/dbraw/zinc/81/49/14/654814914.db2.gz NHRAPARQDHMPNO-QKCSRTOESA-N 1 0 380.286 2.474 20 0 GEADRO O=S(=O)(Cc1ccsc1Br)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000913913212 654815581 /nfs/dbraw/zinc/81/55/81/654815581.db2.gz VZUWCZXXPQGTJM-SNVBAGLBSA-N 1 0 379.345 2.414 20 0 GEADRO Cc1nn(C)c(Cl)c1C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000933553241 654816648 /nfs/dbraw/zinc/81/66/48/654816648.db2.gz GJIGDWSGQBMRHX-UHFFFAOYSA-N 1 0 382.917 2.409 20 0 GEADRO Cc1cc(CNC(=O)Nc2cnn(C)c2I)cc(C)n1 ZINC000933739719 654824304 /nfs/dbraw/zinc/82/43/04/654824304.db2.gz BVXBDCUSUFMYMO-UHFFFAOYSA-N 1 0 385.209 2.358 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(CC(=O)Nc3ccccc3I)C[C@]2(C)C1 ZINC000933739379 654824324 /nfs/dbraw/zinc/82/43/24/654824324.db2.gz VNLKTFMTVYSDLC-WBMJQRKESA-N 1 0 399.276 2.113 20 0 GEADRO CC(C)[C@@H](CNC(=O)NCC(C)(C)CS(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000914066508 654824384 /nfs/dbraw/zinc/82/43/84/654824384.db2.gz XTYBIFQONLWCRI-MRXNPFEDSA-N 1 0 375.579 2.113 20 0 GEADRO Cn1cc(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)c(Br)n1 ZINC000914069527 654824636 /nfs/dbraw/zinc/82/46/36/654824636.db2.gz XYKUZVIGEVXSPB-UHFFFAOYSA-N 1 0 392.301 2.040 20 0 GEADRO Cn1ncc(NC(=O)NC2CCC([NH+](C)C)CC2)c1I ZINC000933741640 654825229 /nfs/dbraw/zinc/82/52/29/654825229.db2.gz ZKVMJJQDJNYFJJ-UHFFFAOYSA-N 1 0 391.257 2.019 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)c2nccc3c(Br)cccc32)CC1 ZINC000933837160 654828111 /nfs/dbraw/zinc/82/81/11/654828111.db2.gz BZKKUAHCUJJMNB-UHFFFAOYSA-N 1 0 378.270 2.184 20 0 GEADRO CCN(CCC(=O)NC)Cc1cc(OC)c(C(=O)OC)cc1Br ZINC000933859146 654828407 /nfs/dbraw/zinc/82/84/07/654828407.db2.gz FECXQLQMAVALRE-UHFFFAOYSA-N 1 0 387.274 2.202 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000914150540 654829995 /nfs/dbraw/zinc/82/99/95/654829995.db2.gz OQEYMGNPEWSENR-ZIAGYGMSSA-N 1 0 382.306 2.061 20 0 GEADRO O=C(N1CCOCC1)C1([NH2+]Cc2cccc(Br)n2)CCCCC1 ZINC000934058976 654835311 /nfs/dbraw/zinc/83/53/11/654835311.db2.gz JBRLZISVQPJKGQ-UHFFFAOYSA-N 1 0 382.302 2.495 20 0 GEADRO COc1cc(Br)cc(C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000934164954 654837411 /nfs/dbraw/zinc/83/74/11/654837411.db2.gz LYDLGYPQVGVDDX-UHFFFAOYSA-N 1 0 384.318 2.214 20 0 GEADRO Cn1cc(Br)c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1=O ZINC000934172349 654837588 /nfs/dbraw/zinc/83/75/88/654837588.db2.gz OZWZDFOPIXUJGH-UHFFFAOYSA-N 1 0 382.302 2.285 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000914259905 654839571 /nfs/dbraw/zinc/83/95/71/654839571.db2.gz FFZSXZVGIHJFQF-BFHYXJOUSA-N 1 0 381.464 2.319 20 0 GEADRO CCS[C@@H](C)c1noc(CN(C)S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)n1 ZINC000914262069 654840016 /nfs/dbraw/zinc/84/00/16/654840016.db2.gz HDYNIQWIRRFAST-BBRMVZONSA-N 1 0 388.559 2.131 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1cc2c(cc1Br)OCCO2 ZINC000934251949 654840028 /nfs/dbraw/zinc/84/00/28/654840028.db2.gz HIJFQJAZBNLLNT-JKSUJKDBSA-N 1 0 397.313 2.251 20 0 GEADRO O=C(CC[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO)Nc1ccc(Br)cc1 ZINC000934259447 654840490 /nfs/dbraw/zinc/84/04/90/654840490.db2.gz QWWUCUNOMFAYDC-IAGOWNOFSA-N 1 0 396.329 2.309 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934264580 654841643 /nfs/dbraw/zinc/84/16/43/654841643.db2.gz HXWHORKRHHGQQJ-CVEARBPZSA-N 1 0 393.329 2.367 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNC(=O)C2(n3cc(Br)cn3)CC2)C[C@H](C)O1 ZINC000934313968 654843884 /nfs/dbraw/zinc/84/38/84/654843884.db2.gz QXEBPFGYSFERRX-OKILXGFUSA-N 1 0 399.333 2.140 20 0 GEADRO O=C(CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)Nc1ccc(Cl)cc1 ZINC000914325309 654845241 /nfs/dbraw/zinc/84/52/41/654845241.db2.gz GUFYFIGTTIFZKP-LSDHHAIUSA-N 1 0 382.917 2.158 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c1F ZINC000914333410 654846424 /nfs/dbraw/zinc/84/64/24/654846424.db2.gz YXQYLONKPXXNGA-UHFFFAOYSA-N 1 0 393.278 2.137 20 0 GEADRO CS[C@@H]1CN(C(=O)Nc2c(Br)cnn2C2CC2)C[C@H]1[NH+](C)C ZINC000934374490 654848002 /nfs/dbraw/zinc/84/80/02/654848002.db2.gz VMEHOFJZJPXHIF-VXGBXAGGSA-N 1 0 388.335 2.490 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cnn2cccc(Br)c12 ZINC000934384491 654848678 /nfs/dbraw/zinc/84/86/78/654848678.db2.gz GJQOXALLJWADSS-GFCCVEGCSA-N 1 0 383.290 2.183 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc2c(Br)cnn2c1 ZINC000934387941 654848681 /nfs/dbraw/zinc/84/86/81/654848681.db2.gz LWAGHOMRDQPLOX-CYBMUJFWSA-N 1 0 383.290 2.183 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C ZINC000914443256 654854645 /nfs/dbraw/zinc/85/46/45/654854645.db2.gz LTFHEGDHJXGJOU-QLFBSQMISA-N 1 0 387.571 2.136 20 0 GEADRO CSCC(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000934672288 654855170 /nfs/dbraw/zinc/85/51/70/654855170.db2.gz JFIIYMZRNJZZFG-UHFFFAOYSA-N 1 0 393.962 2.260 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2c(Br)cnn2c1 ZINC000934723314 654856030 /nfs/dbraw/zinc/85/60/30/654856030.db2.gz BMIINCKCADCSOE-AWEZNQCLSA-N 1 0 393.285 2.080 20 0 GEADRO COc1cc(Br)cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000934724786 654856237 /nfs/dbraw/zinc/85/62/37/654856237.db2.gz GVJFHHQSAHFKIE-HNNXBMFYSA-N 1 0 383.286 2.441 20 0 GEADRO COc1cc(Br)cc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000934734392 654856440 /nfs/dbraw/zinc/85/64/40/654856440.db2.gz FMIRXHLWKVLFLW-UHFFFAOYSA-N 1 0 385.302 2.423 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000914716196 654856715 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Cc1ccc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1 ZINC000935159061 654879089 /nfs/dbraw/zinc/87/90/89/654879089.db2.gz YWPSKMFIEKNVNV-CZUORRHYSA-N 1 0 395.345 2.251 20 0 GEADRO CC[NH+](CC)CCOC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000915800624 654879527 /nfs/dbraw/zinc/87/95/27/654879527.db2.gz HNELAFPNFKKYCA-UHFFFAOYSA-N 1 0 382.258 2.044 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)Cc3cccc(F)c3Br)[C@@H]2C1 ZINC000915833302 654880153 /nfs/dbraw/zinc/88/01/53/654880153.db2.gz ASXPERYKDAYRFA-GXFFZTMASA-N 1 0 377.279 2.054 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000915881331 654881823 /nfs/dbraw/zinc/88/18/23/654881823.db2.gz SQWWBTSMCDCDQB-BRHMAQAHSA-N 1 0 399.460 2.303 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000935295940 654885865 /nfs/dbraw/zinc/88/58/65/654885865.db2.gz VDDBCXWGMBIBDL-UHFFFAOYSA-N 1 0 399.333 2.445 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935442604 654893677 /nfs/dbraw/zinc/89/36/77/654893677.db2.gz AYLJHKQELFPCRQ-AWEZNQCLSA-N 1 0 380.286 2.428 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1nc(Br)c2ccccn21 ZINC000935532650 654898706 /nfs/dbraw/zinc/89/87/06/654898706.db2.gz NITYROLLEAIPQP-GFCCVEGCSA-N 1 0 395.301 2.014 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NCC[N@H+]1CC=CCC1 ZINC000935749255 654914637 /nfs/dbraw/zinc/91/46/37/654914637.db2.gz MPUZFWDGVYUPDJ-ZDUSSCGKSA-N 1 0 378.270 2.253 20 0 GEADRO C[NH+]1CCC(ONC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935842004 654921208 /nfs/dbraw/zinc/92/12/08/654921208.db2.gz IWSPDKSUAYYDRW-LBPRGKRZSA-N 1 0 382.258 2.017 20 0 GEADRO O=C(c1cc(F)cc(Br)c1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000935987758 654932098 /nfs/dbraw/zinc/93/20/98/654932098.db2.gz XWCLIDNWLUXNAC-MNOVXSKESA-N 1 0 375.213 2.008 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000936010196 654933745 /nfs/dbraw/zinc/93/37/45/654933745.db2.gz WABCXQBWHVGNMP-UHFFFAOYSA-N 1 0 394.317 2.006 20 0 GEADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390742 718824409 /nfs/dbraw/zinc/82/44/09/718824409.db2.gz QCNKCQCHMUINTB-QWHCGFSZSA-N 1 0 381.814 2.304 20 0 GEADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@H]4C3)c2c1C ZINC001164390360 718824552 /nfs/dbraw/zinc/82/45/52/718824552.db2.gz OABCYQFMXGGZCY-CVEARBPZSA-N 1 0 387.553 2.471 20 0 GEADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164390743 718824582 /nfs/dbraw/zinc/82/45/82/718824582.db2.gz QCNKCQCHMUINTB-STQMWFEESA-N 1 0 381.814 2.304 20 0 GEADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164393978 718831889 /nfs/dbraw/zinc/83/18/89/718831889.db2.gz YMBYXKJUVLVQON-HNNXBMFYSA-N 1 0 379.842 2.436 20 0 GEADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164405158 718853781 /nfs/dbraw/zinc/85/37/81/718853781.db2.gz LHGNLXNXBOTJSC-PBHICJAKSA-N 1 0 380.826 2.360 20 0 GEADRO Clc1nc2c(c(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164406563 718862188 /nfs/dbraw/zinc/86/21/88/718862188.db2.gz VJLGHPLIBCKPPQ-QFBILLFUSA-N 1 0 399.926 2.461 20 0 GEADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164410029 718866166 /nfs/dbraw/zinc/86/61/66/718866166.db2.gz WJDLILVOUYAYMQ-VHSXEESVSA-N 1 0 389.859 2.185 20 0 GEADRO O=C1NCCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C12C[NH2+]C2 ZINC001164413942 718879318 /nfs/dbraw/zinc/87/93/18/718879318.db2.gz OUQROYDSIAJKGT-UHFFFAOYSA-N 1 0 396.800 2.364 20 0 GEADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416557 718885720 /nfs/dbraw/zinc/88/57/20/718885720.db2.gz ZIHYPGKGMKOOFC-UHFFFAOYSA-N 1 0 395.845 2.243 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(OC)c(Cl)n1 ZINC001164614589 719015663 /nfs/dbraw/zinc/01/56/63/719015663.db2.gz FYNUYVIBARGFFM-VWYCJHECSA-N 1 0 375.803 2.018 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4nc[nH]c43)CC2)CC1 ZINC001164617136 719021538 /nfs/dbraw/zinc/02/15/38/719021538.db2.gz MMUNTKPPDHWSOF-UHFFFAOYSA-N 1 0 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ZINC001165019732 721816535 /nfs/dbraw/zinc/81/65/35/721816535.db2.gz BMQNFZCJBYRLPD-QXAKKESOSA-N 1 0 381.528 2.378 20 0 GEADRO Cc1nc(CN2CCOC[C@]3(CN(c4cc5[nH]ccc5c[nH+]4)CCO3)C2)cs1 ZINC001164925908 721824231 /nfs/dbraw/zinc/82/42/31/721824231.db2.gz TYCMQQYTPJPFDR-HXUWFJFHSA-N 1 0 399.520 2.436 20 0 GEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(-n4cncn4)n3)C[C@H]21 ZINC001165019740 721826252 /nfs/dbraw/zinc/82/62/52/721826252.db2.gz BNSUTMSORLEVOZ-QXAKKESOSA-N 1 0 390.495 2.189 20 0 GEADRO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1cc(C[NH+](C)C)ccn1)C2 ZINC001164925403 721836903 /nfs/dbraw/zinc/83/69/03/721836903.db2.gz OXILXJUJSGAGHN-RXVVDRJESA-N 1 0 382.512 2.198 20 0 GEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc3c2C(=O)NC3)CC1 ZINC001165021208 721841183 /nfs/dbraw/zinc/84/11/83/721841183.db2.gz HXAGUGBOXKVLKF-UHFFFAOYSA-N 1 0 396.491 2.443 20 0 GEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncccc1C(=O)NCc1ccccc1 ZINC001164932227 721851106 /nfs/dbraw/zinc/85/11/06/721851106.db2.gz 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COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165038371 721909944 /nfs/dbraw/zinc/90/99/44/721909944.db2.gz KTMGSURICNIPPL-CQSZACIVSA-N 1 0 390.871 2.371 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3CN(S(C)(=O)=O)C[C@H]32)nc1 ZINC001164954916 721985987 /nfs/dbraw/zinc/98/59/87/721985987.db2.gz XVUHONGOZRVVMF-GUDVDZBRSA-N 1 0 392.569 2.489 20 0 GEADRO Cc1cc2c(c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n1)C(=O)NC2=O ZINC001164955437 722021064 /nfs/dbraw/zinc/02/10/64/722021064.db2.gz GTMDKSXLYLOEEF-UHFFFAOYSA-N 1 0 391.475 2.161 20 0 GEADRO Cn1ccc2c1ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958215 722053535 /nfs/dbraw/zinc/05/35/35/722053535.db2.gz DYZZLOXAVIUKMR-UHFFFAOYSA-N 1 0 392.507 2.482 20 0 GEADRO O=C(NC1CCCCC1)c1cccnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966209 722068468 /nfs/dbraw/zinc/06/84/68/722068468.db2.gz YLOAECNXMUYSHG-KDURUIRLSA-N 1 0 384.524 2.444 20 0 GEADRO COC(=O)c1cc2c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)[nH]c(Cl)cc-2n1 ZINC001164967032 722074102 /nfs/dbraw/zinc/07/41/02/722074102.db2.gz KNUYPUPFSCCOBN-BETUJISGSA-N 1 0 390.871 2.302 20 0 GEADRO CCOC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164976546 722100673 /nfs/dbraw/zinc/10/06/73/722100673.db2.gz DVKABZBYHAMWTG-UXHICEINSA-N 1 0 396.491 2.381 20 0 GEADRO COC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C)c1 ZINC001164983753 722108876 /nfs/dbraw/zinc/10/88/76/722108876.db2.gz ZUMFBMDIEUQDTP-QUCCMNQESA-N 1 0 396.491 2.299 20 0 GEADRO COc1cc(OC)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971403 722117180 /nfs/dbraw/zinc/11/71/80/722117180.db2.gz CEJQUYPTFJOBAF-IEBWSBKVSA-N 1 0 384.480 2.221 20 0 GEADRO Cc1cnc2c(ccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978913 722150461 /nfs/dbraw/zinc/15/04/61/722150461.db2.gz KSCJKTXAARKYHE-UYAOXDASSA-N 1 0 390.491 2.456 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3ccccn3)ncn1)CCC2 ZINC001165003449 722256813 /nfs/dbraw/zinc/25/68/13/722256813.db2.gz DLUGCTSTOFWVSV-UHFFFAOYSA-N 1 0 393.495 2.224 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccnc(-c3nccs3)n1)CCC2 ZINC001165004403 722258230 /nfs/dbraw/zinc/25/82/30/722258230.db2.gz QXITZFJTQHDJNI-UHFFFAOYSA-N 1 0 399.524 2.285 20 0 GEADRO O=C(Nc1nnc(C(F)(F)F)s1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528668841 531371440 /nfs/dbraw/zinc/37/14/40/531371440.db2.gz QMWXPLALPZFUNP-SNVBAGLBSA-N 1 0 379.408 2.179 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)Nc1cc2ccc(Br)cn2n1 ZINC000482234982 531395580 /nfs/dbraw/zinc/39/55/80/531395580.db2.gz CGLIBZJSWRBGTJ-UHFFFAOYSA-N 1 0 384.278 2.187 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)N[C@@H](CO)c2cccc(Br)c2)cn1 ZINC000151463054 531503482 /nfs/dbraw/zinc/50/34/82/531503482.db2.gz SDGYOPWWQNNVAQ-HNNXBMFYSA-N 1 0 396.289 2.062 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)NCC[NH2+]C3CC3)[nH]c(=O)c2c1C ZINC000151532586 531508728 /nfs/dbraw/zinc/50/87/28/531508728.db2.gz FVLIJJYBCDMFDI-LLVKDONJSA-N 1 0 380.539 2.091 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151801651 531521196 /nfs/dbraw/zinc/52/11/96/531521196.db2.gz XJISBLUXNOORLH-WCQYABFASA-N 1 0 380.286 2.437 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151805074 531521544 /nfs/dbraw/zinc/52/15/44/531521544.db2.gz GSQVAOULWTUXCJ-YPMHNXCESA-N 1 0 380.286 2.437 20 0 GEADRO CSC[C@](C)(O)C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000152114508 531529658 /nfs/dbraw/zinc/52/96/58/531529658.db2.gz JOETXZKYYOOPMG-GOSISDBHSA-N 1 0 388.961 2.255 20 0 GEADRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000152116989 531529860 /nfs/dbraw/zinc/52/98/60/531529860.db2.gz VDLBRLKSHKFOKO-KSSFIOAISA-N 1 0 388.961 2.253 20 0 GEADRO CCOC(=O)N1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000152072933 531530827 /nfs/dbraw/zinc/53/08/27/531530827.db2.gz GBGCREMSOZYALQ-UHFFFAOYSA-N 1 0 398.301 2.389 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1cc(C)ccc1I ZINC000152412153 531550555 /nfs/dbraw/zinc/55/05/55/531550555.db2.gz ZKBOFSJPJXIXQS-UHFFFAOYSA-N 1 0 390.265 2.298 20 0 GEADRO C[NH+](C)Cc1ccccc1CNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000006992680 531534109 /nfs/dbraw/zinc/53/41/09/531534109.db2.gz XFWIKHYXDOSVLQ-UHFFFAOYSA-N 1 0 394.269 2.150 20 0 GEADRO Cc1cc(Br)ccc1SCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152500419 531555512 /nfs/dbraw/zinc/55/55/12/531555512.db2.gz YNQZJACGPRLGRO-HNNXBMFYSA-N 1 0 375.332 2.278 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000014528177 531565168 /nfs/dbraw/zinc/56/51/68/531565168.db2.gz JDGJGURBLKYOJU-UHFFFAOYSA-N 1 0 394.313 2.312 20 0 GEADRO OC1(C[NH+]2CCN(Cc3ccc(Br)s3)CC2)CCOCC1 ZINC000152877535 531577002 /nfs/dbraw/zinc/57/70/02/531577002.db2.gz HZFRUBCAPWZLOI-UHFFFAOYSA-N 1 0 375.332 2.170 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000152884722 531577996 /nfs/dbraw/zinc/57/79/96/531577996.db2.gz FSFGJZOPWMPECW-TZMCWYRMSA-N 1 0 386.901 2.216 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1cncc(Br)c1)Cc1ccccc1 ZINC000153925443 531611801 /nfs/dbraw/zinc/61/18/01/531611801.db2.gz PLWJEKFAZYWUTA-UHFFFAOYSA-N 1 0 391.269 2.031 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000153926094 531612089 /nfs/dbraw/zinc/61/20/89/531612089.db2.gz ZAUAWVGVNUININ-LBPRGKRZSA-N 1 0 397.317 2.409 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000153928531 531612183 /nfs/dbraw/zinc/61/21/83/531612183.db2.gz RVNKHMDVXCQLFL-NWDGAFQWSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C[C@@H](C)[NH2+]1 ZINC000154056229 531619028 /nfs/dbraw/zinc/61/90/28/531619028.db2.gz BRODICNTVCLMKG-VXGBXAGGSA-N 1 0 383.290 2.170 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)s1 ZINC000026956993 531621738 /nfs/dbraw/zinc/62/17/38/531621738.db2.gz AEWYVENNZNUBHA-UHFFFAOYSA-N 1 0 387.571 2.317 20 0 GEADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCOc1cccc(Cl)c1 ZINC000027373602 531624324 /nfs/dbraw/zinc/62/43/24/531624324.db2.gz CNYBBKAPHYKKTG-UHFFFAOYSA-N 1 0 384.885 2.377 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC1 ZINC000154948977 531643663 /nfs/dbraw/zinc/64/36/63/531643663.db2.gz WTODEEUPDHADNA-SJCJKPOMSA-N 1 0 380.286 2.046 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000154858323 531638078 /nfs/dbraw/zinc/63/80/78/531638078.db2.gz BITGCZVWAFOYKM-PBHICJAKSA-N 1 0 380.286 2.046 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000154891402 531639803 /nfs/dbraw/zinc/63/98/03/531639803.db2.gz QBDXWVFKOCPORR-HNNXBMFYSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@@H](CNC(=O)COc1ccc(I)cc1)[NH+]1CCCC1 ZINC000042503220 531670207 /nfs/dbraw/zinc/67/02/07/531670207.db2.gz OQUXZYYJEXHKAG-LBPRGKRZSA-N 1 0 388.249 2.271 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c2ccccc21)N1CC[NH+](C)CC1 ZINC000155262505 531670871 /nfs/dbraw/zinc/67/08/71/531670871.db2.gz GJMRYJQOPDETLU-AWEZNQCLSA-N 1 0 381.929 2.407 20 0 GEADRO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000155132463 531657706 /nfs/dbraw/zinc/65/77/06/531657706.db2.gz XZUGOLGVBGOKGT-UHFFFAOYSA-N 1 0 383.290 2.035 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2ccc(I)cc2)CCCCC1 ZINC000036266655 531658296 /nfs/dbraw/zinc/65/82/96/531658296.db2.gz PCZZUSWVJFWNGY-UHFFFAOYSA-N 1 0 394.278 2.231 20 0 GEADRO COc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000040746356 531661314 /nfs/dbraw/zinc/66/13/14/531661314.db2.gz YTDZUKRDAIMPSG-ZACCUICWSA-N 1 0 375.288 2.019 20 0 GEADRO C[NH+](C)CCCNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000042921382 531673736 /nfs/dbraw/zinc/67/37/36/531673736.db2.gz IXJHXPWLPIHMKS-UHFFFAOYSA-N 1 0 387.311 2.413 20 0 GEADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000155408627 531682218 /nfs/dbraw/zinc/68/22/18/531682218.db2.gz PIILZRVTTQHWMO-UHFFFAOYSA-N 1 0 378.897 2.088 20 0 GEADRO O=C(NCCc1nc(C(F)(F)F)cs1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155651857 531694312 /nfs/dbraw/zinc/69/43/12/531694312.db2.gz LJFHNLVPTUOMJD-GFCCVEGCSA-N 1 0 377.432 2.464 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCOc1ccc(Br)cc1 ZINC000045957685 531696252 /nfs/dbraw/zinc/69/62/52/531696252.db2.gz JQYFGXLKJMNCAF-CQSZACIVSA-N 1 0 391.331 2.232 20 0 GEADRO CC[NH+](CC)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000045544845 531693581 /nfs/dbraw/zinc/69/35/81/531693581.db2.gz UJCNRBHGVZVBBR-UHFFFAOYSA-N 1 0 385.306 2.337 20 0 GEADRO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000046279463 531702094 /nfs/dbraw/zinc/70/20/94/531702094.db2.gz NQAYUJGZQPSHAY-AWEZNQCLSA-N 1 0 398.349 2.406 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000156008275 531707980 /nfs/dbraw/zinc/70/79/80/531707980.db2.gz JMEVRQURJCRILQ-SNVBAGLBSA-N 1 0 388.693 2.451 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCc1cc(Br)cs1 ZINC000046750130 531708362 /nfs/dbraw/zinc/70/83/62/531708362.db2.gz DGEPFDUCDIRZSF-UHFFFAOYSA-N 1 0 376.320 2.422 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000047039653 531709648 /nfs/dbraw/zinc/70/96/48/531709648.db2.gz 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CC(C)[C@H](CCO)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000162166208 531834918 /nfs/dbraw/zinc/83/49/18/531834918.db2.gz BGGUBRVZRSXYCV-HNNXBMFYSA-N 1 0 389.327 2.034 20 0 GEADRO CCC[NH+]1CCC(NC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000061031162 531849264 /nfs/dbraw/zinc/84/92/64/531849264.db2.gz OTLYZBJLFVKNML-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061288783 531851173 /nfs/dbraw/zinc/85/11/73/531851173.db2.gz QZXNAZRTPDAUCT-INIZCTEOSA-N 1 0 382.551 2.041 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000060577083 531845832 /nfs/dbraw/zinc/84/58/32/531845832.db2.gz QQCHBQKCGUYDPM-UHFFFAOYSA-N 1 0 387.571 2.045 20 0 GEADRO CS(=O)(=O)CC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000164798828 531868746 /nfs/dbraw/zinc/86/87/46/531868746.db2.gz YDHUTPFTBPZZGR-GFCCVEGCSA-N 1 0 395.262 2.139 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000062244757 531856815 /nfs/dbraw/zinc/85/68/15/531856815.db2.gz 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O=S(=O)(C[C@H]1CCCCO1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000069870334 531913255 /nfs/dbraw/zinc/91/32/55/531913255.db2.gz SGBXWICXXIWPEQ-MRXNPFEDSA-N 1 0 376.588 2.227 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000171282097 531903039 /nfs/dbraw/zinc/90/30/39/531903039.db2.gz WGSWDOQBOJDUSS-UHFFFAOYSA-N 1 0 398.301 2.087 20 0 GEADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000072775412 531917261 /nfs/dbraw/zinc/91/72/61/531917261.db2.gz YYHPJZWOCKBHCO-DLBZAZTESA-N 1 0 375.579 2.063 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2nc3cc(Cl)ccn3n2)CC[C@@H]1C(F)(F)F ZINC000625889365 531917589 /nfs/dbraw/zinc/91/75/89/531917589.db2.gz OPUHWZAOZJIZJE-WPRPVWTQSA-N 1 0 376.770 2.374 20 0 GEADRO COc1ccc(CC[NH2+]Cc2cnc(C(C)(C)C)s2)cc1S(N)(=O)=O ZINC000094013827 531929292 /nfs/dbraw/zinc/92/92/92/531929292.db2.gz ORDVTQUHBOPLIP-UHFFFAOYSA-N 1 0 383.539 2.429 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1Br ZINC000172077684 531933422 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C[N@H+](CCCO)C1CCN(C(=O)NCc2sccc2Br)CC1 ZINC000172614897 531961511 /nfs/dbraw/zinc/96/15/11/531961511.db2.gz IRTSRXWFDIPHNR-UHFFFAOYSA-N 1 0 390.347 2.499 20 0 GEADRO COC[C@H](C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000117913464 531961859 /nfs/dbraw/zinc/96/18/59/531961859.db2.gz DVLYPKNSCTWPHL-ZDUSSCGKSA-N 1 0 382.448 2.434 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2O)cc(I)c1OC ZINC000172632316 531962735 /nfs/dbraw/zinc/96/27/35/531962735.db2.gz ZOVQDQDOPKTVHF-RYUDHWBXSA-N 1 0 377.222 2.311 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCOCC1 ZINC000114211141 531956390 /nfs/dbraw/zinc/95/63/90/531956390.db2.gz YNZKMDKSTHPRQM-UHFFFAOYSA-N 1 0 384.395 2.234 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Br ZINC000119447714 531968648 /nfs/dbraw/zinc/96/86/48/531968648.db2.gz AGALCIZRLROIFU-SWLSCSKDSA-N 1 0 382.302 2.495 20 0 GEADRO CC[C@]1(C(=O)NCCc2ccc(I)s2)CC[NH2+]C1 ZINC000119432497 531968762 /nfs/dbraw/zinc/96/87/62/531968762.db2.gz 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C[NH+]1CCC(n2ccc(NCc3ccc(Cl)c(S(N)(=O)=O)c3)n2)CC1 ZINC000631123040 531999647 /nfs/dbraw/zinc/99/96/47/531999647.db2.gz LMXTUHRPCOVEMT-UHFFFAOYSA-N 1 0 383.905 2.063 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@@H](C)O1 ZINC000173321967 532004744 /nfs/dbraw/zinc/00/47/44/532004744.db2.gz RQAIQKTXNYAUJW-AIANPOQGSA-N 1 0 387.571 2.075 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1Br ZINC000121019722 532007163 /nfs/dbraw/zinc/00/71/63/532007163.db2.gz VOQZOKZSCQMSOX-ZDUSSCGKSA-N 1 0 380.286 2.297 20 0 GEADRO CC[C@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2cccc(Br)c2)CC1 ZINC000121077674 532010932 /nfs/dbraw/zinc/01/09/32/532010932.db2.gz BPINLWLGHRAABH-HZPDHXFCSA-N 1 0 385.302 2.052 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000121121039 532013645 /nfs/dbraw/zinc/01/36/45/532013645.db2.gz HAEKEZDBJOMWFP-KRWDZBQOSA-N 1 0 397.313 2.460 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000173703618 532027801 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C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174196606 532056040 /nfs/dbraw/zinc/05/60/40/532056040.db2.gz DYONGICHCXIRFM-CABCVRRESA-N 1 0 397.313 2.397 20 0 GEADRO O=C(NC[C@@H]1CCCN(C(=O)c2ccccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000122132939 532058172 /nfs/dbraw/zinc/05/81/72/532058172.db2.gz UGSUMVGTHUVPCT-XJKSGUPXSA-N 1 0 394.313 2.170 20 0 GEADRO Cc1ccc(OCCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000174316000 532059788 /nfs/dbraw/zinc/05/97/88/532059788.db2.gz AHZAKTFAJAPSFV-HUUCEWRRSA-N 1 0 399.329 2.440 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000122158763 532059931 /nfs/dbraw/zinc/05/99/31/532059931.db2.gz SSSIMSRESKCYBG-DOMZBBRYSA-N 1 0 382.302 2.297 20 0 GEADRO COCC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000174302629 532060222 /nfs/dbraw/zinc/06/02/22/532060222.db2.gz SJXWKCCDWPXXGQ-CYBMUJFWSA-N 1 0 384.318 2.477 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000122158548 532060298 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O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000127083341 532152748 /nfs/dbraw/zinc/15/27/48/532152748.db2.gz BCYSWODQKICKRS-CYBMUJFWSA-N 1 0 392.253 2.315 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)COc1ccc(Br)cc1F ZINC000176889862 532152749 /nfs/dbraw/zinc/15/27/49/532152749.db2.gz DOFYNMVOOHAHBZ-ZDUSSCGKSA-N 1 0 391.281 2.440 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)N3CC[NH2+]C[C@@H]3C)[nH]c(=O)c2c1C ZINC000125695248 532140879 /nfs/dbraw/zinc/14/08/79/532140879.db2.gz BDYAEZAGFRWBDQ-JOYOIKCWSA-N 1 0 380.539 2.043 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000176545491 532140882 /nfs/dbraw/zinc/14/08/82/532140882.db2.gz JFHLPVRJYZRGGS-UHFFFAOYSA-N 1 0 398.345 2.485 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)c1cc(Br)ccc1I ZINC000125925364 532143673 /nfs/dbraw/zinc/14/36/73/532143673.db2.gz KCYXUDMZAYMIJX-MRVPVSSYSA-N 1 0 395.038 2.145 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000176696411 532146825 /nfs/dbraw/zinc/14/68/25/532146825.db2.gz 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O=C(NC[C@@H]1CCC[NH2+]1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000178747953 532212024 /nfs/dbraw/zinc/21/20/24/532212024.db2.gz PPBWYKZIUNVJPZ-INIZCTEOSA-N 1 0 394.313 2.170 20 0 GEADRO O=C(CCN1CC[NH+](C[C@H]2CCOC2)CC1)Nc1ccccc1Br ZINC000178825459 532214193 /nfs/dbraw/zinc/21/41/93/532214193.db2.gz JSLUCNOFCDRZME-OAHLLOKOSA-N 1 0 396.329 2.432 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000178983414 532219133 /nfs/dbraw/zinc/21/91/33/532219133.db2.gz MMKQFJKNQNVDCU-CABCVRRESA-N 1 0 384.567 2.419 20 0 GEADRO O=C(C[NH2+]CC1CC1)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000178842723 532215048 /nfs/dbraw/zinc/21/50/48/532215048.db2.gz AYBLMKJUDWBXOA-LBPRGKRZSA-N 1 0 376.810 2.448 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000178976806 532219160 /nfs/dbraw/zinc/21/91/60/532219160.db2.gz JZFDBNFNSFGQNO-MRVPVSSYSA-N 1 0 380.176 2.251 20 0 GEADRO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000132481218 532215728 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C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)c3ccc(Cl)s3)C2)CC1 ZINC000179674147 532241030 /nfs/dbraw/zinc/24/10/30/532241030.db2.gz DTPPHRSPQOMUFX-CYBMUJFWSA-N 1 0 377.963 2.192 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000133712230 532241233 /nfs/dbraw/zinc/24/12/33/532241233.db2.gz HAYVYAFWDLGGJE-CMPLNLGQSA-N 1 0 390.228 2.342 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000133804725 532243317 /nfs/dbraw/zinc/24/33/17/532243317.db2.gz SQMLCZFCKWAMBB-HZPDHXFCSA-N 1 0 394.313 2.264 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)C1 ZINC000179803841 532245458 /nfs/dbraw/zinc/24/54/58/532245458.db2.gz XMHBXCJFLISSIS-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000134023759 532248032 /nfs/dbraw/zinc/24/80/32/532248032.db2.gz BASZUJHKSGABKE-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000133516534 532236713 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O=S(=O)(CC[NH2+][C@@H]1CSCCc2ccccc21)NC[C@H]1CCCCO1 ZINC000180749380 532279488 /nfs/dbraw/zinc/27/94/88/532279488.db2.gz RZHIWZYVSSHCSF-SJLPKXTDSA-N 1 0 384.567 2.095 20 0 GEADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000135937322 532280617 /nfs/dbraw/zinc/28/06/17/532280617.db2.gz JYVGPJXRSJIIMB-XJKSGUPXSA-N 1 0 395.297 2.106 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(Br)cs2)C[C@@H]1C ZINC000180756389 532280782 /nfs/dbraw/zinc/28/07/82/532280782.db2.gz VHGAEGWBHQMTIU-WDEREUQCSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@]1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CCCC[NH2+]1 ZINC000180948049 532286766 /nfs/dbraw/zinc/28/67/66/532286766.db2.gz KLOPFONUOZVUEB-INIZCTEOSA-N 1 0 378.274 2.383 20 0 GEADRO [NH3+]CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000181031324 532288888 /nfs/dbraw/zinc/28/88/88/532288888.db2.gz TWVMOGQHHSRGAI-UHFFFAOYSA-N 1 0 387.933 2.373 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000139766358 532293634 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O=C(NCCSC(F)(F)F)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000181575758 532302321 /nfs/dbraw/zinc/30/23/21/532302321.db2.gz RVFGEFRPQOYMQX-CQSZACIVSA-N 1 0 377.432 2.305 20 0 GEADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000181681639 532305322 /nfs/dbraw/zinc/30/53/22/532305322.db2.gz DGTUSVRYPNZRSM-OCCSQVGLSA-N 1 0 380.539 2.446 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH2+]C)C2)ccc1Cl ZINC000150996256 532305674 /nfs/dbraw/zinc/30/56/74/532305674.db2.gz GANBJUCABJXLHJ-CQSZACIVSA-N 1 0 387.933 2.195 20 0 GEADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000181759513 532305767 /nfs/dbraw/zinc/30/57/67/532305767.db2.gz NNHMDGCZIFBJSN-CQSZACIVSA-N 1 0 386.945 2.491 20 0 GEADRO COc1ccc(Br)c(CC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000151046637 532306236 /nfs/dbraw/zinc/30/62/36/532306236.db2.gz WAFAWQXZMKSORE-HNNXBMFYSA-N 1 0 399.329 2.209 20 0 GEADRO C[N@H+](CC(=O)NCc1cn2cc(Br)ccc2n1)[C@@H]1CCSC1 ZINC000137728590 532290735 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386.279 2.290 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2nn(C)cc2Br)[C@H](C)C1 ZINC000294502633 532362436 /nfs/dbraw/zinc/36/24/36/532362436.db2.gz YIRLBRJOPLUWKV-OCCSQVGLSA-N 1 0 387.322 2.049 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000647010869 532363135 /nfs/dbraw/zinc/36/31/35/532363135.db2.gz YEGMTCQDCNDTAO-MXWKQRLJSA-N 1 0 388.331 2.215 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000589929965 532364557 /nfs/dbraw/zinc/36/45/57/532364557.db2.gz PFNVNRCCHKDPAI-WCQYABFASA-N 1 0 380.491 2.013 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2)C1 ZINC000647034654 532364820 /nfs/dbraw/zinc/36/48/20/532364820.db2.gz MWYSBYIJKPCXCR-QGZVFWFLSA-N 1 0 382.913 2.201 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCC(=O)N1C ZINC000425098034 532364890 /nfs/dbraw/zinc/36/48/90/532364890.db2.gz JSXZDZJUSILMBS-OAHLLOKOSA-N 1 0 397.317 2.006 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(CC(=O)NCc2ccccc2Br)no1 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C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000192040337 532380270 /nfs/dbraw/zinc/38/02/70/532380270.db2.gz VVDLPPJURJOKOK-UHFFFAOYSA-N 1 0 388.693 2.499 20 0 GEADRO COc1c(Br)cccc1C[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000372275897 532380225 /nfs/dbraw/zinc/38/02/25/532380225.db2.gz YNNBEADDHFKQDC-SFHVURJKSA-N 1 0 399.329 2.429 20 0 GEADRO C[N@H+](CCCCNC(=O)c1ccc(Br)cc1-n1cnnn1)C1CC1 ZINC000622882484 532380463 /nfs/dbraw/zinc/38/04/63/532380463.db2.gz PXLKJDOCSKEIJG-UHFFFAOYSA-N 1 0 393.289 2.029 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706686 532380805 /nfs/dbraw/zinc/38/08/05/532380805.db2.gz OSZJMTCQSHJIQJ-VHDGCEQUSA-N 1 0 399.304 2.434 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000622900972 532382016 /nfs/dbraw/zinc/38/20/16/532382016.db2.gz RSQYZWKEOJGVFQ-LBPRGKRZSA-N 1 0 393.289 2.027 20 0 GEADRO FC(F)(F)c1ccc(I)c(N2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000590686168 532382098 /nfs/dbraw/zinc/38/20/98/532382098.db2.gz 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SGNLHTLCTYKLSL-CZUORRHYSA-N 1 0 396.333 2.334 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cncc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372361786 532387622 /nfs/dbraw/zinc/38/76/22/532387622.db2.gz SGNLHTLCTYKLSL-BBRMVZONSA-N 1 0 396.333 2.334 20 0 GEADRO COC(=O)c1cccc(OCC[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000558184223 532389047 /nfs/dbraw/zinc/38/90/47/532389047.db2.gz RZIUFFSZOWTUHE-UHFFFAOYSA-N 1 0 382.258 2.443 20 0 GEADRO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)ncc1Br ZINC000623443542 532389164 /nfs/dbraw/zinc/38/91/64/532389164.db2.gz DGQWHWFRWOAZSK-UHFFFAOYSA-N 1 0 388.331 2.199 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000590859768 532389722 /nfs/dbraw/zinc/38/97/22/532389722.db2.gz QAGFYTMSWZHSIG-HUUCEWRRSA-N 1 0 381.318 2.421 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000516650319 532389763 /nfs/dbraw/zinc/38/97/63/532389763.db2.gz JYSWGGMSFMDOLM-TXEJJXNPSA-N 1 0 389.880 2.058 20 0 GEADRO 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CS(=O)(=O)N1CCC([NH2+]CCCc2nc(-c3ccncc3)cs2)CC1 ZINC000678587321 532398018 /nfs/dbraw/zinc/39/80/18/532398018.db2.gz FMBFKRUHLHISKM-UHFFFAOYSA-N 1 0 380.539 2.151 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CCSC1 ZINC000279723224 532399934 /nfs/dbraw/zinc/39/99/34/532399934.db2.gz IZOJCGJBEKURGX-AWEZNQCLSA-N 1 0 384.445 2.143 20 0 GEADRO COC(=O)C[C@]1([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCOC1 ZINC000464593164 532401053 /nfs/dbraw/zinc/40/10/53/532401053.db2.gz MAXKSWBPODSCMP-MLGOLLRUSA-N 1 0 378.252 2.045 20 0 GEADRO Fc1cc(Br)cc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000648452346 532399001 /nfs/dbraw/zinc/39/90/01/532399001.db2.gz YIBUKQXXKOJYNX-KRWDZBQOSA-N 1 0 386.309 2.084 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)CCCc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000591225064 532402997 /nfs/dbraw/zinc/40/29/97/532402997.db2.gz NKKGVWMDPIGBDX-OAHLLOKOSA-N 1 0 397.313 2.335 20 0 GEADRO CSC1(CNC(=O)c2ccccc2S[C@@H](C)C(N)=O)CC[NH+](C)CC1 ZINC000464705960 532403019 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CCC(F)(F)C(C)(C)CS(=O)(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000625016947 532404008 /nfs/dbraw/zinc/40/40/08/532404008.db2.gz IODKWNNWTNWXIX-HNNXBMFYSA-N 1 0 383.549 2.249 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(F)cc2I)CCO1 ZINC000591288427 532404408 /nfs/dbraw/zinc/40/44/08/532404408.db2.gz OAFYTTRXEXPSIG-PRHODGIISA-N 1 0 393.200 2.010 20 0 GEADRO Cc1cc(I)ccc1NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000591271926 532404805 /nfs/dbraw/zinc/40/48/05/532404805.db2.gz GSGJAXPZUDBKMN-GXFFZTMASA-N 1 0 389.237 2.180 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)CCO1 ZINC000591288426 532404869 /nfs/dbraw/zinc/40/48/69/532404869.db2.gz OAFYTTRXEXPSIG-PELKAZGASA-N 1 0 393.200 2.010 20 0 GEADRO C[C@@H](CNc1ncc(Br)cc1S(N)(=O)=O)[N@@H+]1CCC[C@H](C)C1 ZINC000679467249 532404951 /nfs/dbraw/zinc/40/49/51/532404951.db2.gz WKMCXXYNLUMZHT-QWRGUYRKSA-N 1 0 391.335 2.024 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000464765876 532404967 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C[C@H]([NH2+]Cc1ccc(F)cc1I)[C@@H]1CN(C)CCO1 ZINC000591356026 532409474 /nfs/dbraw/zinc/40/94/74/532409474.db2.gz IKCCXLUTXNIIDC-HZMBPMFUSA-N 1 0 378.229 2.239 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000648905681 532409778 /nfs/dbraw/zinc/40/97/78/532409778.db2.gz JBQGTGVCNDGMFH-UHFFFAOYSA-N 1 0 390.297 2.210 20 0 GEADRO Cc1sc2ncnc(SCCC(=O)NC[C@H]3C[NH2+]CCCO3)c2c1C ZINC000517216366 532408491 /nfs/dbraw/zinc/40/84/91/532408491.db2.gz WLABPBWBCYUJRI-CYBMUJFWSA-N 1 0 380.539 2.285 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)COc1cccc(I)c1 ZINC000192778064 532408506 /nfs/dbraw/zinc/40/85/06/532408506.db2.gz HKBMQVICJSEVPV-UHFFFAOYSA-N 1 0 376.238 2.174 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@H+]1C ZINC000559933082 532408697 /nfs/dbraw/zinc/40/86/97/532408697.db2.gz AUVFLIXUYRAFAK-SUNKGSAMSA-N 1 0 380.286 2.426 20 0 GEADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)Nc1cccc(I)c1 ZINC000372810940 532411469 /nfs/dbraw/zinc/41/14/69/532411469.db2.gz 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C[C@@H](NC[C@@H](C)[N@H+](C)C1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280573887 532414076 /nfs/dbraw/zinc/41/40/76/532414076.db2.gz KQAVENSTVYLZAG-GHMZBOCLSA-N 1 0 390.347 2.230 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)CSCc3cccc(Cl)c3)C2)nn1 ZINC000591587004 532414098 /nfs/dbraw/zinc/41/40/98/532414098.db2.gz IQGHBZNIEHCOOT-INIZCTEOSA-N 1 0 379.917 2.487 20 0 GEADRO Nc1ncc(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192985107 532415685 /nfs/dbraw/zinc/41/56/85/532415685.db2.gz KOOZEXKANLSVTG-CQSZACIVSA-N 1 0 380.901 2.118 20 0 GEADRO COC(=O)Cc1csc(NC(=O)CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)n1 ZINC000295216753 532418885 /nfs/dbraw/zinc/41/88/85/532418885.db2.gz XIKOFODBYTUAKD-VHSXEESVSA-N 1 0 379.404 2.460 20 0 GEADRO O=C(C[C@H]1CCC[NH2+]CC1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000427276580 532418892 /nfs/dbraw/zinc/41/88/92/532418892.db2.gz PFBQAWCKPNRJDJ-AWEZNQCLSA-N 1 0 381.318 2.273 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000560507256 532417560 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Cc1cc(NC(=O)CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000465786156 532420376 /nfs/dbraw/zinc/42/03/76/532420376.db2.gz NRVPQCYCRFKKFJ-JSGCOSHPSA-N 1 0 397.317 2.478 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625369137 532420422 /nfs/dbraw/zinc/42/04/22/532420422.db2.gz IVAMYVBXLGIBAQ-VHDGCEQUSA-N 1 0 380.286 2.207 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000649663264 532420533 /nfs/dbraw/zinc/42/05/33/532420533.db2.gz BORVVLJMJGVOOH-CYBMUJFWSA-N 1 0 393.285 2.712 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(O)CCCC1 ZINC000295217444 532420596 /nfs/dbraw/zinc/42/05/96/532420596.db2.gz QOYLNVFWMCHKIV-LBPRGKRZSA-N 1 0 385.302 2.357 20 0 GEADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000591766206 532421480 /nfs/dbraw/zinc/42/14/80/532421480.db2.gz PLNGNMAHNHNKIA-RNCFNFMXSA-N 1 0 376.222 2.316 20 0 GEADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1C(F)(F)F ZINC000193352984 532422133 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C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[N@@H+]1C ZINC000427593875 532427977 /nfs/dbraw/zinc/42/79/77/532427977.db2.gz VYPKNEXSRORRDV-WPRPVWTQSA-N 1 0 390.228 2.265 20 0 GEADRO C[C@H](C[NH2+]Cc1ccc(I)cc1)CN1CC[NH+](C)CC1 ZINC000295264053 532427060 /nfs/dbraw/zinc/42/70/60/532427060.db2.gz VFAYYTSAFIMVPQ-CQSZACIVSA-N 1 0 387.309 2.264 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[N@@H+]1C ZINC000427593873 532427755 /nfs/dbraw/zinc/42/77/55/532427755.db2.gz VYPKNEXSRORRDV-SCZZXKLOSA-N 1 0 390.228 2.265 20 0 GEADRO O=C(c1ccnc(Cl)c1I)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373065639 532430118 /nfs/dbraw/zinc/43/01/18/532430118.db2.gz JDPLZCDRWVNMOM-SCZZXKLOSA-N 1 0 391.640 2.164 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000517894641 532431061 /nfs/dbraw/zinc/43/10/61/532431061.db2.gz FTSHOQAQFZVHMV-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO O=C(Cc1cc[nH]c(=O)c1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000373092682 532431528 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CCCC[N@H+](C)CCNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000562136948 532457935 /nfs/dbraw/zinc/45/79/35/532457935.db2.gz SKQUUNIVHMRUOG-UHFFFAOYSA-N 1 0 396.340 2.120 20 0 GEADRO CSC1(CNC(=O)c2cc(CS(C)(=O)=O)c(C)s2)CC[NH+](C)CC1 ZINC000562178138 532459430 /nfs/dbraw/zinc/45/94/30/532459430.db2.gz AEUVSYJXJFDJBU-UHFFFAOYSA-N 1 0 390.596 2.158 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000373615076 532460340 /nfs/dbraw/zinc/46/03/40/532460340.db2.gz GABWQXKETKILPI-QFBILLFUSA-N 1 0 396.373 2.376 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](C)[NH3+] ZINC000194870042 532460502 /nfs/dbraw/zinc/46/05/02/532460502.db2.gz QGISBSICZZRONF-NOZJJQNGSA-N 1 0 378.325 2.308 20 0 GEADRO C[C@@H]1CN(C(=O)c2cccnc2-n2cc(Br)cn2)C[C@H](C)[N@H+]1C ZINC000295586410 532460882 /nfs/dbraw/zinc/46/08/82/532460882.db2.gz WYYGTWIGCAWIGW-TXEJJXNPSA-N 1 0 378.274 2.194 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428746813 532461034 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GEADRO C[C@H](CO)[N@@H+]1CCCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000373739975 532466165 /nfs/dbraw/zinc/46/61/65/532466165.db2.gz CUUOTUNJQMDYNA-CYBMUJFWSA-N 1 0 385.302 2.109 20 0 GEADRO C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000428975506 532466707 /nfs/dbraw/zinc/46/67/07/532466707.db2.gz HNEFPVJXOYFUHP-QWHCGFSZSA-N 1 0 397.317 2.465 20 0 GEADRO C[C@H](NC(=O)c1[nH]nc2ccc(I)cc21)[C@@H]1CCC[NH2+]C1 ZINC000428959469 532467061 /nfs/dbraw/zinc/46/70/61/532467061.db2.gz YACSCMNUERLJJZ-VHSXEESVSA-N 1 0 398.248 2.285 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1ccc(C(F)(F)F)s1)NC[C@H]1CCCCO1 ZINC000428890953 532463337 /nfs/dbraw/zinc/46/33/37/532463337.db2.gz WNLJJSRKONJJGF-LLVKDONJSA-N 1 0 386.461 2.345 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651330737 532467658 /nfs/dbraw/zinc/46/76/58/532467658.db2.gz FOXNSKRSOFIUQZ-OAHLLOKOSA-N 1 0 396.329 2.069 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683909702 532467926 /nfs/dbraw/zinc/46/79/26/532467926.db2.gz BWPWGTXACAEXAZ-GUYCJALGSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000429003973 532468202 /nfs/dbraw/zinc/46/82/02/532468202.db2.gz ZAXFAXGCNRXXIN-ZIAGYGMSSA-N 1 0 389.924 2.271 20 0 GEADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000628427929 532468214 /nfs/dbraw/zinc/46/82/14/532468214.db2.gz XXRFYZFGZCVGLJ-STQMWFEESA-N 1 0 377.304 2.298 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)C1 ZINC000628425414 532468249 /nfs/dbraw/zinc/46/82/49/532468249.db2.gz KAABEKRDSULBDT-RYQLBKOJSA-N 1 0 386.945 2.491 20 0 GEADRO C[NH+](C)CCN1CCN(c2nccc3cc(Br)ccc32)CC1=O ZINC000651382911 532468502 /nfs/dbraw/zinc/46/85/02/532468502.db2.gz ZIINRGNWSZMRRA-UHFFFAOYSA-N 1 0 377.286 2.208 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)C1 ZINC000429062927 532469478 /nfs/dbraw/zinc/46/94/78/532469478.db2.gz GICVOPKOYKTADN-CYBMUJFWSA-N 1 0 385.555 2.170 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000628453585 532469756 /nfs/dbraw/zinc/46/97/56/532469756.db2.gz KPWOXBNAOVAFDL-MISXGVKJSA-N 1 0 389.315 2.331 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000684175237 532470346 /nfs/dbraw/zinc/47/03/46/532470346.db2.gz QMJNVGHYRLNLFP-KRWDZBQOSA-N 1 0 380.286 2.459 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000519605218 532471223 /nfs/dbraw/zinc/47/12/23/532471223.db2.gz IUHYBSGUCGKFBI-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C2 ZINC000684173143 532471344 /nfs/dbraw/zinc/47/13/44/532471344.db2.gz WABFKMOWTINOKO-OAHLLOKOSA-N 1 0 379.913 2.019 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)Cc1cccnc1 ZINC000519608340 532471440 /nfs/dbraw/zinc/47/14/40/532471440.db2.gz NECOFXHUBCZPDM-WBVHZDCISA-N 1 0 395.297 2.025 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000429221953 532471456 /nfs/dbraw/zinc/47/14/56/532471456.db2.gz TXYLZBWJMYWMTM-CHWSQXEVSA-N 1 0 382.302 2.073 20 0 GEADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000519649595 532472106 /nfs/dbraw/zinc/47/21/06/532472106.db2.gz YSUXMCZVXDUTKR-ZIAGYGMSSA-N 1 0 381.929 2.322 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1COC[C@H]1O ZINC000295720074 532472474 /nfs/dbraw/zinc/47/24/74/532472474.db2.gz VFHGSPSHMQAZPZ-GHMZBOCLSA-N 1 0 381.064 2.070 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000429418124 532476883 /nfs/dbraw/zinc/47/68/83/532476883.db2.gz IMCOXHPBNXSCFR-CYBMUJFWSA-N 1 0 379.473 2.031 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)C1 ZINC000429453672 532476993 /nfs/dbraw/zinc/47/69/93/532476993.db2.gz ODAHISASFKXKID-XJKSGUPXSA-N 1 0 396.329 2.271 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)COc1cccc(I)c1 ZINC000468846523 532476995 /nfs/dbraw/zinc/47/69/95/532476995.db2.gz FOOYPFUKZWJONV-NSHDSACASA-N 1 0 376.238 2.126 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000429456866 532477344 /nfs/dbraw/zinc/47/73/44/532477344.db2.gz RPJXQFWJKYIXBR-OAHLLOKOSA-N 1 0 390.347 2.322 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)C[C@H]1[NH+](C)C ZINC000282554606 532477579 /nfs/dbraw/zinc/47/75/79/532477579.db2.gz SBZUOYAVOTYXPK-CHWSQXEVSA-N 1 0 383.315 2.443 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000195479795 532477782 /nfs/dbraw/zinc/47/77/82/532477782.db2.gz SUPOKEWTNTYIJM-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000429506118 532478550 /nfs/dbraw/zinc/47/85/50/532478550.db2.gz UXZRMRRHJOAMJP-CYBMUJFWSA-N 1 0 396.329 2.416 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC[C@H](C)C[NH+](C)C ZINC000295817162 532479257 /nfs/dbraw/zinc/47/92/57/532479257.db2.gz XKVVXYADWKOUPJ-STQMWFEESA-N 1 0 386.334 2.250 20 0 GEADRO C[N@H+](CCNC(=O)CCOc1ccccc1I)C1CC1 ZINC000468863649 532479450 /nfs/dbraw/zinc/47/94/50/532479450.db2.gz HBDFCONIYSVSAI-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000684620962 532480213 /nfs/dbraw/zinc/48/02/13/532480213.db2.gz RBTYTTLYZLHWLK-INIZCTEOSA-N 1 0 392.301 2.473 20 0 GEADRO NC(=O)CSc1ccccc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000519833475 532480469 /nfs/dbraw/zinc/48/04/69/532480469.db2.gz PLZDYNORUCZEDB-CQSZACIVSA-N 1 0 379.551 2.420 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cc(C(F)F)ccc2F)CCSC1 ZINC000651599195 532481329 /nfs/dbraw/zinc/48/13/29/532481329.db2.gz LBHVLSZBOYPRFO-MRXNPFEDSA-N 1 0 375.416 2.255 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000236799034 532496815 /nfs/dbraw/zinc/49/68/15/532496815.db2.gz XKMMSFMUAAPMPI-AWEZNQCLSA-N 1 0 387.571 2.091 20 0 GEADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000429792906 532482541 /nfs/dbraw/zinc/48/25/41/532482541.db2.gz LJMGNSBROXSNCO-AWEZNQCLSA-N 1 0 379.258 2.011 20 0 GEADRO COCC[NH2+]CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000429913080 532484241 /nfs/dbraw/zinc/48/42/41/532484241.db2.gz DAOPJGGRXCYASA-UHFFFAOYSA-N 1 0 384.263 2.378 20 0 GEADRO Cc1c(Br)ccnc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000562791265 532484313 /nfs/dbraw/zinc/48/43/13/532484313.db2.gz UKBXSSJIFXYHTG-NSHDSACASA-N 1 0 385.306 2.461 20 0 GEADRO COCC[C@]1(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC[NH2+]C1 ZINC000429993167 532486057 /nfs/dbraw/zinc/48/60/57/532486057.db2.gz PLOGSNFWNJZIRB-SUMWQHHRSA-N 1 0 385.302 2.349 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nscc1Br ZINC000651698461 532489164 /nfs/dbraw/zinc/48/91/64/532489164.db2.gz RECKFUPGYUCKTQ-ZDUSSCGKSA-N 1 0 396.310 2.402 20 0 GEADRO Cc1sc(Br)cc1S(=O)(=O)NCCN1CCSCC1 ZINC000228787492 532489936 /nfs/dbraw/zinc/48/99/36/532489936.db2.gz QSNPZRGSGKCFLQ-UHFFFAOYSA-N 1 0 385.374 2.146 20 0 GEADRO CCOCCOc1ccc(Br)cc1CNCC1([NH3+])CCOCC1 ZINC000629387819 532490519 /nfs/dbraw/zinc/49/05/19/532490519.db2.gz KRGHEWLXGITGNG-UHFFFAOYSA-N 1 0 387.318 2.462 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)cc(Br)c3)[C@@H]2C1 ZINC000651712157 532490805 /nfs/dbraw/zinc/49/08/05/532490805.db2.gz YFKTWQPSZUVYQP-TVQRCGJNSA-N 1 0 386.677 2.204 20 0 GEADRO CC[C@@H]([NH3+])c1cn(CC(=O)Nc2ccc(I)cc2C)nn1 ZINC000229946999 532491419 /nfs/dbraw/zinc/49/14/19/532491419.db2.gz FYPMCMOUEBSYAM-LLVKDONJSA-N 1 0 399.236 2.240 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CSC2(C)C)cc1Cl ZINC000282721192 532491481 /nfs/dbraw/zinc/49/14/81/532491481.db2.gz CHVRYFGGVMGVGQ-CQSZACIVSA-N 1 0 385.917 2.229 20 0 GEADRO C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)c1ncnn1C ZINC000563002625 532491666 /nfs/dbraw/zinc/49/16/66/532491666.db2.gz IKQXUEBZWORLPP-MWLCHTKSSA-N 1 0 389.681 2.322 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)c1Br ZINC000629415884 532491714 /nfs/dbraw/zinc/49/17/14/532491714.db2.gz CBRBKUQKVMTTFY-UHFFFAOYSA-N 1 0 399.333 2.452 20 0 GEADRO C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(c3ccccc3Br)CCC2)CC1 ZINC000563000382 532491807 /nfs/dbraw/zinc/49/18/07/532491807.db2.gz LEASEMUNFXAMPX-INIZCTEOSA-N 1 0 396.373 2.069 20 0 GEADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)c(F)c1)C1CCS(=O)(=O)CC1 ZINC000430149053 532491912 /nfs/dbraw/zinc/49/19/12/532491912.db2.gz MKAMHOOVICFNFZ-ZUZCIYMTSA-N 1 0 394.306 2.425 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCOCC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000520404112 532492359 /nfs/dbraw/zinc/49/23/59/532492359.db2.gz OMNJTXDMBCSNPU-QGZVFWFLSA-N 1 0 397.313 2.279 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000236665033 532492922 /nfs/dbraw/zinc/49/29/22/532492922.db2.gz KFDTXTMKLYRHMV-MRXNPFEDSA-N 1 0 394.313 2.170 20 0 GEADRO COCCN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000562984990 532493024 /nfs/dbraw/zinc/49/30/24/532493024.db2.gz NQMGWGVYCJIOHM-LSDHHAIUSA-N 1 0 377.312 2.434 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000236674793 532493288 /nfs/dbraw/zinc/49/32/88/532493288.db2.gz XVPQSMNQFQQANZ-ZDUSSCGKSA-N 1 0 389.587 2.105 20 0 GEADRO O=C(NCCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccc(Br)cc1 ZINC000236669165 532493503 /nfs/dbraw/zinc/49/35/03/532493503.db2.gz FNMCQOUGARLWSV-CWRNSKLLSA-N 1 0 394.313 2.216 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000236729827 532494908 /nfs/dbraw/zinc/49/49/08/532494908.db2.gz GACFCWYNQQXLJQ-HNNXBMFYSA-N 1 0 384.318 2.401 20 0 GEADRO CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000236696023 532495057 /nfs/dbraw/zinc/49/50/57/532495057.db2.gz RDEOXEYJJDNDQZ-TZMCWYRMSA-N 1 0 397.317 2.395 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000236744295 532496438 /nfs/dbraw/zinc/49/64/38/532496438.db2.gz JGAWHUJCDOYQTE-UHFFFAOYSA-N 1 0 395.301 2.183 20 0 GEADRO C[NH2+]C1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)CC1 ZINC000429407714 532474414 /nfs/dbraw/zinc/47/44/14/532474414.db2.gz ZQAHVEBGIMFQDO-INIZCTEOSA-N 1 0 396.329 2.414 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000429417543 532474541 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C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469398246 532502452 /nfs/dbraw/zinc/50/24/52/532502452.db2.gz UCFVVXWNSJNNPE-BXUZGUMPSA-N 1 0 380.286 2.285 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])c(Br)c1 ZINC000431024911 532503089 /nfs/dbraw/zinc/50/30/89/532503089.db2.gz QNQMPBGNEQTFBI-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000431023556 532503447 /nfs/dbraw/zinc/50/34/47/532503447.db2.gz ROQYFIKHGUUBTC-UHFFFAOYSA-N 1 0 377.279 2.352 20 0 GEADRO C[S@@](=O)Cc1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000563398368 532503555 /nfs/dbraw/zinc/50/35/55/532503555.db2.gz PIODZGMBAMIXDZ-IQGLISFBSA-N 1 0 380.579 2.399 20 0 GEADRO CCO[C@@H]1CN(C(=O)NCCc2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000652135655 532503666 /nfs/dbraw/zinc/50/36/66/532503666.db2.gz XRTCYFJDECPJCU-IUODEOHRSA-N 1 0 388.281 2.136 20 0 GEADRO CN(CC(=O)NCC[C@H]1CCC[NH2+]C1)C(=O)c1ccc(Br)s1 ZINC000237060148 532504027 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C[C@H]1CN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000296803466 532543147 /nfs/dbraw/zinc/54/31/47/532543147.db2.gz HRIFKGURTWYNSM-QWRGUYRKSA-N 1 0 380.436 2.233 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc3c(Cl)ccnc32)CCOCC1 ZINC000296797752 532543174 /nfs/dbraw/zinc/54/31/74/532543174.db2.gz QWYZMMQRQUULPD-UHFFFAOYSA-N 1 0 383.901 2.277 20 0 GEADRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)N[C@@H]2CCSC2)c2cccs2)CC1 ZINC000283507402 532543731 /nfs/dbraw/zinc/54/37/31/532543731.db2.gz PYHBWTHKGAAZFG-CABCVRRESA-N 1 0 381.567 2.259 20 0 GEADRO COc1cc(Br)c(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1OC ZINC000595146376 532545605 /nfs/dbraw/zinc/54/56/05/532545605.db2.gz NENJLUHWFTXHEY-NSHDSACASA-N 1 0 381.274 2.494 20 0 GEADRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cnc(CCOC)s2)s1 ZINC000631136759 532544219 /nfs/dbraw/zinc/54/42/19/532544219.db2.gz YWTFMDUVXAAGGN-WDEREUQCSA-N 1 0 383.543 2.499 20 0 GEADRO OCCOC1(C[NH2+]Cc2ncc(Br)cc2Cl)CCOCC1 ZINC000631129156 532544539 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CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000564314671 532521982 /nfs/dbraw/zinc/52/19/82/532521982.db2.gz AKDBUERNJNMENA-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1nnc(-c2cccc(F)c2)s1 ZINC000374911796 532522878 /nfs/dbraw/zinc/52/28/78/532522878.db2.gz LMBRIDDQFZBMKC-VXGBXAGGSA-N 1 0 384.502 2.276 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)Cc2ccccc2Br)C1 ZINC000470176448 532523410 /nfs/dbraw/zinc/52/34/10/532523410.db2.gz KZOVIQJAOFGESS-UKRRQHHQSA-N 1 0 384.318 2.400 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccncc2I)C1 ZINC000245716605 532523904 /nfs/dbraw/zinc/52/39/04/532523904.db2.gz QGVROFHYSGVKQS-FZMZJTMJSA-N 1 0 385.249 2.243 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000470265515 532524787 /nfs/dbraw/zinc/52/47/87/532524787.db2.gz VCIOXXJIQJGLMR-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO Cn1ncc(Br)c1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000296488982 532524837 /nfs/dbraw/zinc/52/48/37/532524837.db2.gz KYXVWONNMDWJHG-UHFFFAOYSA-N 1 0 381.274 2.092 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594768936 532524930 /nfs/dbraw/zinc/52/49/30/532524930.db2.gz FDOYGUGABVUHNG-ZDUSSCGKSA-N 1 0 389.315 2.220 20 0 GEADRO Cc1csc([C@@H](C)CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000283202784 532526111 /nfs/dbraw/zinc/52/61/11/532526111.db2.gz BBYJNWDTTHTFTP-WCQYABFASA-N 1 0 380.539 2.152 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cncc(Br)c1)C(C)(C)C ZINC000523855629 532526870 /nfs/dbraw/zinc/52/68/70/532526870.db2.gz QVKRTXWPODUNPK-CYBMUJFWSA-N 1 0 378.336 2.489 20 0 GEADRO C[C@H](NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)[C@@H]1CCC[NH2+]C1 ZINC000564553524 532527355 /nfs/dbraw/zinc/52/73/55/532527355.db2.gz UZKQWMCYOZGWBD-ZOWXZIJZSA-N 1 0 385.917 2.198 20 0 GEADRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000296557523 532527440 /nfs/dbraw/zinc/52/74/40/532527440.db2.gz RZTQMVGWNPWEKV-UWVGGRQHSA-N 1 0 379.320 2.297 20 0 GEADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)COCCOC ZINC000296578358 532529370 /nfs/dbraw/zinc/52/93/70/532529370.db2.gz QXWCJWKZRRMHKO-GFCCVEGCSA-N 1 0 379.284 2.278 20 0 GEADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccncc1Br ZINC000245998999 532529692 /nfs/dbraw/zinc/52/96/92/532529692.db2.gz YAIHZPHHNGXERQ-LSDHHAIUSA-N 1 0 390.281 2.209 20 0 GEADRO COc1ccc(I)c(NC(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000296593664 532530908 /nfs/dbraw/zinc/53/09/08/532530908.db2.gz XIUAUWVVGSYKOQ-SNVBAGLBSA-N 1 0 389.237 2.373 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)s1)c1ccc(Cl)cc1 ZINC000564740082 532530978 /nfs/dbraw/zinc/53/09/78/532530978.db2.gz CZGGPKHUEQBIOQ-GFCCVEGCSA-N 1 0 387.914 2.082 20 0 GEADRO CS[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)C1 ZINC000296620270 532531158 /nfs/dbraw/zinc/53/11/58/532531158.db2.gz XEWDPPUQFAVTJH-CYBMUJFWSA-N 1 0 385.917 2.183 20 0 GEADRO Cc1ncc(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000283315550 532531541 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GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000564840536 532534450 /nfs/dbraw/zinc/53/44/50/532534450.db2.gz UJWTVJCTAZYETG-IUODEOHRSA-N 1 0 382.302 2.203 20 0 GEADRO CC(C)[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)[NH+]1CCN(C)CC1 ZINC000525773479 532534942 /nfs/dbraw/zinc/53/49/42/532534942.db2.gz GJIIBYMNTUDWLG-CYBMUJFWSA-N 1 0 398.349 2.051 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccc(Br)cc1 ZINC000525805131 532535103 /nfs/dbraw/zinc/53/51/03/532535103.db2.gz RDHCFKXSAFZPFH-GUYCJALGSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1ccc(I)cc1 ZINC000595265171 532550461 /nfs/dbraw/zinc/55/04/61/532550461.db2.gz LATGPZSSROTSRR-SMDDNHRTSA-N 1 0 387.265 2.131 20 0 GEADRO [NH3+][C@@H](CNC(=O)NCc1cc(Cl)ccc1I)C1CC1 ZINC000595265187 532550788 /nfs/dbraw/zinc/55/07/88/532550788.db2.gz LQZKGJIZHMHCPM-LBPRGKRZSA-N 1 0 393.656 2.481 20 0 GEADRO C[C@H]1CN(C(=O)NCCc2ccc(I)cc2)[C@@H](C)C[NH2+]1 ZINC000595272733 532551824 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[NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@H]12 ZINC000248647738 532553826 /nfs/dbraw/zinc/55/38/26/532553826.db2.gz TVBUAHJQAMIHLW-TUKIKUTGSA-N 1 0 375.270 2.444 20 0 GEADRO NC(=O)[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)C[C@H]1C(F)(F)F ZINC000375399133 532554062 /nfs/dbraw/zinc/55/40/62/532554062.db2.gz FRAJHQWPKVTCMH-VXGBXAGGSA-N 1 0 393.203 2.480 20 0 GEADRO C[NH+](C)CCOCCNC(=O)NCCCc1ccc(Br)cc1F ZINC000471634737 532554825 /nfs/dbraw/zinc/55/48/25/532554825.db2.gz LIEUOECSQWBTKW-UHFFFAOYSA-N 1 0 390.297 2.398 20 0 GEADRO C[N@H+](C[C@H](O)CNC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000565273751 532555009 /nfs/dbraw/zinc/55/50/09/532555009.db2.gz JEIPPTRLMRQHIO-QGZVFWFLSA-N 1 0 383.330 2.500 20 0 GEADRO CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000527801564 532555113 /nfs/dbraw/zinc/55/51/13/532555113.db2.gz KIKMAHRITMPIOE-KGLIPLIRSA-N 1 0 377.304 2.142 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248688275 532555491 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NC(=O)c1cn(CCCC[NH2+]Cc2cccc(Br)c2Cl)nn1 ZINC000631159533 532546670 /nfs/dbraw/zinc/54/66/70/532546670.db2.gz VKVDFYLWIPBPPU-UHFFFAOYSA-N 1 0 386.681 2.363 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000527269403 532546887 /nfs/dbraw/zinc/54/68/87/532546887.db2.gz MJTVGVVDWPGHBL-AWEZNQCLSA-N 1 0 378.270 2.253 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(Br)cc2)C1 ZINC000283594421 532547331 /nfs/dbraw/zinc/54/73/31/532547331.db2.gz QBUUGRDDEIDJQR-CABCVRRESA-N 1 0 382.302 2.054 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)ccc1Br ZINC000375283747 532547675 /nfs/dbraw/zinc/54/76/75/532547675.db2.gz ZEOWYBVEYYLRRK-YOEHRIQHSA-N 1 0 380.286 2.343 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375283618 532547761 /nfs/dbraw/zinc/54/77/61/532547761.db2.gz YUNIRULEJFIQCW-PBHICJAKSA-N 1 0 380.286 2.343 20 0 GEADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631234924 532548993 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Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000565763056 532576825 /nfs/dbraw/zinc/57/68/25/532576825.db2.gz DHXKVTQPFYZNHM-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cn1 ZINC000261683994 532576857 /nfs/dbraw/zinc/57/68/57/532576857.db2.gz AMVNBYSTKJURRO-UHFFFAOYSA-N 1 0 384.299 2.036 20 0 GEADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2sc(C)nc2C)CC1 ZINC000433663636 532576938 /nfs/dbraw/zinc/57/69/38/532576938.db2.gz XBASKHQWHCIPEC-UHFFFAOYSA-N 1 0 375.560 2.271 20 0 GEADRO CC(C)[NH+](CCNC(=O)C(=O)N(C)Cc1ccc(Br)o1)C(C)C ZINC000284124998 532577131 /nfs/dbraw/zinc/57/71/31/532577131.db2.gz RNJAUZCOUSFELJ-UHFFFAOYSA-N 1 0 388.306 2.236 20 0 GEADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000261739281 532577871 /nfs/dbraw/zinc/57/78/71/532577871.db2.gz KKSUMVHGSPCOPG-SUMWQHHRSA-N 1 0 388.917 2.115 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000261748883 532577916 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COc1cc(CN2C[C@@H](C)[NH2+]C[C@H]2C)cc(I)c1OC ZINC000261950957 532580440 /nfs/dbraw/zinc/58/04/40/532580440.db2.gz FZVWWAJSIOLEEK-GHMZBOCLSA-N 1 0 390.265 2.491 20 0 GEADRO Ic1cnc(CNC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)s1 ZINC000375761253 532580796 /nfs/dbraw/zinc/58/07/96/532580796.db2.gz HGRRQEKPGUYGLO-WDEREUQCSA-N 1 0 393.294 2.091 20 0 GEADRO Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375753934 532580823 /nfs/dbraw/zinc/58/08/23/532580823.db2.gz NBNBWKVSEAOMEO-GFCCVEGCSA-N 1 0 388.946 2.244 20 0 GEADRO CN(Cc1ccc([S@@](C)=O)cc1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433874341 532580962 /nfs/dbraw/zinc/58/09/62/532580962.db2.gz WCUDDVGKCAPVBP-XMMPIXPASA-N 1 0 380.535 2.306 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000433874315 532581507 /nfs/dbraw/zinc/58/15/07/532581507.db2.gz VVFOECWCYVDCEN-GXTWGEPZSA-N 1 0 378.947 2.323 20 0 GEADRO COc1ccc(Br)c(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)c1 ZINC000262010235 532581989 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O=C(NCc1cn(-c2ccc(Br)cc2Cl)nn1)C1CC[NH2+]CC1 ZINC000656438705 532619836 /nfs/dbraw/zinc/61/98/36/532619836.db2.gz BUKDJSAHMQRKMU-UHFFFAOYSA-N 1 0 398.692 2.299 20 0 GEADRO CC[NH2+]Cc1ccn(Cc2cn(-c3cc(Br)ccc3O)nn2)n1 ZINC000656456739 532620209 /nfs/dbraw/zinc/62/02/09/532620209.db2.gz KPQFOGUVKAECSN-UHFFFAOYSA-N 1 0 377.246 2.090 20 0 GEADRO CNS(=O)(=O)c1cccc2c1CCN(C[C@H](O)c1cccc(Cl)c1)C2 ZINC000284787263 532620753 /nfs/dbraw/zinc/62/07/53/532620753.db2.gz NSAHRRDRDFXZKD-KRWDZBQOSA-N 1 0 380.897 2.340 20 0 GEADRO [NH3+]CCn1cc(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)nn1 ZINC000566630957 532620976 /nfs/dbraw/zinc/62/09/76/532620976.db2.gz HQMZPEJFGJZKJE-UHFFFAOYSA-N 1 0 392.301 2.241 20 0 GEADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)Cn1cc(Br)cn1 ZINC000435601779 532621023 /nfs/dbraw/zinc/62/10/23/532621023.db2.gz QMWVRLMNILGLRQ-LBPRGKRZSA-N 1 0 398.330 2.049 20 0 GEADRO COC1([C@@H](CO)n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)CCC1 ZINC000656462688 532621266 /nfs/dbraw/zinc/62/12/66/532621266.db2.gz JIMISAPVFGJYSX-HUUCEWRRSA-N 1 0 381.274 2.191 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1Cl ZINC000655546753 532596198 /nfs/dbraw/zinc/59/61/98/532596198.db2.gz MMIUIWHLZOFEFZ-YJBOKZPZSA-N 1 0 385.961 2.295 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000262713689 532597630 /nfs/dbraw/zinc/59/76/30/532597630.db2.gz DCSBVVUVIXGHHU-KNXALSJPSA-N 1 0 382.302 2.131 20 0 GEADRO NC(=O)c1ncn(C2CC[NH+](Cc3cccc(Br)c3)CC2)c1N ZINC000297579786 532597705 /nfs/dbraw/zinc/59/77/05/532597705.db2.gz IJPJZICDVUFJEY-UHFFFAOYSA-N 1 0 378.274 2.164 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262700080 532597985 /nfs/dbraw/zinc/59/79/85/532597985.db2.gz AODIOFAMMSFHNQ-KCXAZCMYSA-N 1 0 383.945 2.306 20 0 GEADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529380572 532598296 /nfs/dbraw/zinc/59/82/96/532598296.db2.gz OTCXXKOMLTVTPG-AWEZNQCLSA-N 1 0 388.281 2.497 20 0 GEADRO COc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)ccc1Br ZINC000284539823 532599208 /nfs/dbraw/zinc/59/92/08/532599208.db2.gz HHUWXSOIFHISRA-ZIAGYGMSSA-N 1 0 384.274 2.395 20 0 GEADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCOc2ncc(Cl)cc2Cl)C1(C)C ZINC000262763440 532599445 /nfs/dbraw/zinc/59/94/45/532599445.db2.gz FCPBWRGBOXHPPI-BLLLJJGKSA-N 1 0 376.284 2.416 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1Br ZINC000262748864 532599590 /nfs/dbraw/zinc/59/95/90/532599590.db2.gz FPRLSNBDZOZEPJ-MNOVXSKESA-N 1 0 377.304 2.219 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2Br)C1 ZINC000262748254 532599999 /nfs/dbraw/zinc/59/99/99/532599999.db2.gz FMONGYLBIJZNHG-LLVKDONJSA-N 1 0 377.304 2.078 20 0 GEADRO Cc1c(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000262770090 532600263 /nfs/dbraw/zinc/60/02/63/532600263.db2.gz JVNCVLBIEBONTR-MNOVXSKESA-N 1 0 378.274 2.161 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1Br ZINC000262748872 532600300 /nfs/dbraw/zinc/60/03/00/532600300.db2.gz FPRLSNBDZOZEPJ-WDEREUQCSA-N 1 0 377.304 2.219 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000529384611 532600372 /nfs/dbraw/zinc/60/03/72/532600372.db2.gz ZWDYPFWNZLFZCH-CYBMUJFWSA-N 1 0 386.265 2.251 20 0 GEADRO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000566196145 532600744 /nfs/dbraw/zinc/60/07/44/532600744.db2.gz CQKRSLIIOCYQLE-DOMZBBRYSA-N 1 0 382.302 2.367 20 0 GEADRO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000566196150 532600888 /nfs/dbraw/zinc/60/08/88/532600888.db2.gz CQKRSLIIOCYQLE-IUODEOHRSA-N 1 0 382.302 2.367 20 0 GEADRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)C2 ZINC000655841011 532601379 /nfs/dbraw/zinc/60/13/79/532601379.db2.gz RCLUKFOUUWFMFM-SNVBAGLBSA-N 1 0 378.267 2.350 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2CC[NH2+][C@H]2CC)c(F)cc1F ZINC000566247952 532601602 /nfs/dbraw/zinc/60/16/02/532601602.db2.gz COGFABQHYUTARF-GWCFXTLKSA-N 1 0 375.441 2.443 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000262811739 532601732 /nfs/dbraw/zinc/60/17/32/532601732.db2.gz YGHSUXWLWNKFIR-ZWNOBZJWSA-N 1 0 377.304 2.124 20 0 GEADRO COc1cc(Br)cc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000297673114 532602047 /nfs/dbraw/zinc/60/20/47/532602047.db2.gz GFDFTPPECQSVQM-CYBMUJFWSA-N 1 0 386.290 2.426 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000262811737 532602234 /nfs/dbraw/zinc/60/22/34/532602234.db2.gz YGHSUXWLWNKFIR-MFKMUULPSA-N 1 0 377.304 2.124 20 0 GEADRO O[C@@H](C[NH2+]Cc1cn2cccnc2n1)COc1ccccc1Br ZINC000297684443 532602488 /nfs/dbraw/zinc/60/24/88/532602488.db2.gz PLGPTPKYNCJSGT-ZDUSSCGKSA-N 1 0 377.242 2.021 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000473903066 532602767 /nfs/dbraw/zinc/60/27/67/532602767.db2.gz RFLGIGVBNAAHAI-VIFPVBQESA-N 1 0 397.722 2.484 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000262828241 532604081 /nfs/dbraw/zinc/60/40/81/532604081.db2.gz YYVVEGKTTZPIGK-QWRGUYRKSA-N 1 0 377.304 2.267 20 0 GEADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)C(F)(F)F ZINC000655926731 532604425 /nfs/dbraw/zinc/60/44/25/532604425.db2.gz FRZNNQNNUJFXOE-JQWIXIFHSA-N 1 0 395.223 2.217 20 0 GEADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 ZINC000566396215 532607310 /nfs/dbraw/zinc/60/73/10/532607310.db2.gz YOCGQKHCKOVLSJ-MROQNXINSA-N 1 0 388.559 2.009 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(OC)ccc2Cl)C1 ZINC000474157084 532608067 /nfs/dbraw/zinc/60/80/67/532608067.db2.gz IZWCHUIYKXKWMR-HNNXBMFYSA-N 1 0 390.933 2.470 20 0 GEADRO CO[C@H](C[NH3+])CC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000262935542 532608163 /nfs/dbraw/zinc/60/81/63/532608163.db2.gz TXQZBZYJFWOXKX-BBRMVZONSA-N 1 0 384.318 2.018 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)C(C)(C)C ZINC000566442727 532608899 /nfs/dbraw/zinc/60/88/99/532608899.db2.gz UIOFOWAHOVUPKS-AWEZNQCLSA-N 1 0 375.922 2.084 20 0 GEADRO CN1CCO[C@@H](CS(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000632394280 532609204 /nfs/dbraw/zinc/60/92/04/532609204.db2.gz MQSVJHDTEAEADF-CZUORRHYSA-N 1 0 376.881 2.180 20 0 GEADRO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1Br ZINC000284659801 532609452 /nfs/dbraw/zinc/60/94/52/532609452.db2.gz SZKYUCIKUGWMSB-NWDGAFQWSA-N 1 0 386.290 2.377 20 0 GEADRO CO[C@H](C[NH3+])CC(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1 ZINC000262966843 532609983 /nfs/dbraw/zinc/60/99/83/532609983.db2.gz XEWJJMOVELDXRC-NSHDSACASA-N 1 0 382.511 2.118 20 0 GEADRO CO[C@](C)(CO)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000656268093 532610427 /nfs/dbraw/zinc/61/04/27/532610427.db2.gz XALQSOBAFDBBEO-LBPRGKRZSA-N 1 0 382.096 2.281 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000656256579 532611021 /nfs/dbraw/zinc/61/10/21/532611021.db2.gz VYLHVOMLEUWNAY-CQSZACIVSA-N 1 0 393.329 2.442 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000656277168 532611125 /nfs/dbraw/zinc/61/11/25/532611125.db2.gz AHDIPZMFMDDPRL-VXGBXAGGSA-N 1 0 385.302 2.308 20 0 GEADRO O=C(C[NH2+][C@H]1CO[C@H](C2CC2)C1)Nc1ccc(I)cc1 ZINC000597121232 532611723 /nfs/dbraw/zinc/61/17/23/532611723.db2.gz NFHDTRHWJCGQLM-KGLIPLIRSA-N 1 0 386.233 2.387 20 0 GEADRO O[C@@H](COC1CCOCC1)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000284707376 532612087 /nfs/dbraw/zinc/61/20/87/532612087.db2.gz IMWIGAWJQDBFFE-QGZVFWFLSA-N 1 0 399.329 2.128 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435247886 532612033 /nfs/dbraw/zinc/61/20/33/532612033.db2.gz MQHZXJWPSJUQMS-OAHLLOKOSA-N 1 0 395.301 2.314 20 0 GEADRO COc1ccc(CNc2nnc(SC[C@@H](O)C[N@H+](C)C(C)C)s2)cc1 ZINC000566490952 532612700 /nfs/dbraw/zinc/61/27/00/532612700.db2.gz XUZRZCCADOGRKG-AWEZNQCLSA-N 1 0 382.555 2.952 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000474670812 532624608 /nfs/dbraw/zinc/62/46/08/532624608.db2.gz HHFBEQVFKZOXJL-IUODEOHRSA-N 1 0 397.317 2.149 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000376670071 532624737 /nfs/dbraw/zinc/62/47/37/532624737.db2.gz GGJDDWUIINMQDM-MRXNPFEDSA-N 1 0 386.901 2.279 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000284860210 532625443 /nfs/dbraw/zinc/62/54/43/532625443.db2.gz UNMUFJHOJDDRBC-GFCCVEGCSA-N 1 0 397.317 2.409 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1ncsc1Br ZINC000632561885 532625637 /nfs/dbraw/zinc/62/56/37/532625637.db2.gz ZTAZIWJOUDOZSF-LLVKDONJSA-N 1 0 396.376 2.445 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000566729729 532626275 /nfs/dbraw/zinc/62/62/75/532626275.db2.gz SSDHPNATXOLMFU-NSHDSACASA-N 1 0 396.340 2.118 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)c2c(C)ccc(Br)c2C)CC[N@H+](C)C1 ZINC000566725003 532626637 /nfs/dbraw/zinc/62/66/37/532626637.db2.gz GAFVHQXQYKYTSR-ZDUSSCGKSA-N 1 0 383.286 2.243 20 0 GEADRO C[N@@H+]1CC[C@@H]2OCCN(Cc3nc(-c4cc(Br)cs4)no3)[C@H]2C1 ZINC000284855365 532626763 /nfs/dbraw/zinc/62/67/63/532626763.db2.gz OSKMRRDBRHQQKO-RYUDHWBXSA-N 1 0 399.314 2.466 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1cccs1 ZINC000284842228 532626858 /nfs/dbraw/zinc/62/68/58/532626858.db2.gz SPNZDPRNLOPXER-JTQLQIEISA-N 1 0 397.298 2.263 20 0 GEADRO COc1cc(C[NH2+][C@@H](CO)c2sccc2C)cc(Cl)c1OCC(N)=O ZINC000530730135 532627163 /nfs/dbraw/zinc/62/71/63/532627163.db2.gz NPQMGYAFNQHENN-ZDUSSCGKSA-N 1 0 384.885 2.406 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000285074716 532646045 /nfs/dbraw/zinc/64/60/45/532646045.db2.gz GAOOAECJPLLAKZ-UHFFFAOYSA-N 1 0 395.301 2.306 20 0 GEADRO O=C(NC[C@@H]1CN(C2CC2)CCO1)c1nc(Br)sc1C1CC1 ZINC000376738888 532627434 /nfs/dbraw/zinc/62/74/34/532627434.db2.gz ZGBITVHAXGFUAU-LLVKDONJSA-N 1 0 386.315 2.376 20 0 GEADRO C[C@@H](CCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[S@@](C)=O ZINC000474739159 532627544 /nfs/dbraw/zinc/62/75/44/532627544.db2.gz RKVTWXAOSGAIOP-NRVGNVMLSA-N 1 0 383.480 2.248 20 0 GEADRO O[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@H]1CCOC1 ZINC000474803162 532628290 /nfs/dbraw/zinc/62/82/90/532628290.db2.gz YKHDYHOQOJFCCZ-UFBFGSQYSA-N 1 0 383.176 2.056 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000298137784 532628316 /nfs/dbraw/zinc/62/83/16/532628316.db2.gz OMMZFNMZMWNCHU-NSCUHMNNSA-N 1 0 382.302 2.218 20 0 GEADRO Cn1cnc(CC[NH2+]Cc2c(F)ccc(I)c2F)n1 ZINC000474805348 532629062 /nfs/dbraw/zinc/62/90/62/532629062.db2.gz BDHVIJIWBAVPJH-UHFFFAOYSA-N 1 0 378.164 2.030 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)C1CCC(C(F)(F)F)CC1 ZINC000474811853 532629107 /nfs/dbraw/zinc/62/91/07/532629107.db2.gz SJLGHCXNTHBAPN-PNESKVBLSA-N 1 0 383.436 2.441 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000566913913 532630199 /nfs/dbraw/zinc/63/01/99/532630199.db2.gz QYIGHPGNTKJRMY-JKSUJKDBSA-N 1 0 395.297 2.164 20 0 GEADRO CSc1c(F)cccc1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000436184994 532630600 /nfs/dbraw/zinc/63/06/00/532630600.db2.gz FBACNLJHNWCBLA-ZDUSSCGKSA-N 1 0 388.530 2.129 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1OCC ZINC000298170538 532630714 /nfs/dbraw/zinc/63/07/14/532630714.db2.gz UGCZCKGKDBIVRV-UHFFFAOYSA-N 1 0 393.937 2.013 20 0 GEADRO O=C(C[NH2+][C@@H](CO)C1CCOCC1)Nc1c(F)cc(F)cc1Br ZINC000566934598 532630825 /nfs/dbraw/zinc/63/08/25/532630825.db2.gz LGTHXGLTUVFXSI-ZDUSSCGKSA-N 1 0 393.228 2.043 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cncc(Br)c1 ZINC000566927094 532630917 /nfs/dbraw/zinc/63/09/17/532630917.db2.gz ULYCOXFJBTYCIX-RISCZKNCSA-N 1 0 378.274 2.424 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@]1(O)CCOC1 ZINC000474876868 532631830 /nfs/dbraw/zinc/63/18/30/532631830.db2.gz GPGFBQAJYVLQDQ-DOMZBBRYSA-N 1 0 375.250 2.353 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000531244774 532632262 /nfs/dbraw/zinc/63/22/62/532632262.db2.gz ZDKPXHYRGAIGDH-LBPRGKRZSA-N 1 0 398.301 2.361 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)[NH+]1CCCC1 ZINC000284926855 532632935 /nfs/dbraw/zinc/63/29/35/532632935.db2.gz XZFYKLVISGHHKV-JTQLQIEISA-N 1 0 378.420 2.337 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000531283593 532633521 /nfs/dbraw/zinc/63/35/21/532633521.db2.gz WSEDWUIYUCGTOF-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000597932724 532633795 /nfs/dbraw/zinc/63/37/95/532633795.db2.gz YJEOFKPEWVSVKT-OLZOCXBDSA-N 1 0 384.464 2.261 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1cc(I)ccc1F ZINC000474972280 532634161 /nfs/dbraw/zinc/63/41/61/532634161.db2.gz JGMOOPPVPRSJJQ-UHFFFAOYSA-N 1 0 394.228 2.128 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000656873189 532636379 /nfs/dbraw/zinc/63/63/79/532636379.db2.gz GRJYUNYYHZGRTG-NSHDSACASA-N 1 0 391.306 2.492 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1csc(Br)c1 ZINC000263710382 532636687 /nfs/dbraw/zinc/63/66/87/532636687.db2.gz QGOUWOSVVFMMKR-GFCCVEGCSA-N 1 0 388.331 2.183 20 0 GEADRO CS(=O)(=O)c1ccc(F)c(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000567043614 532636959 /nfs/dbraw/zinc/63/69/59/532636959.db2.gz NDDSMHDEZNEDLG-CQSZACIVSA-N 1 0 387.860 2.412 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ncccc1Br)[N@@H+]1CCCC[C@H]1C ZINC000656878111 532637119 /nfs/dbraw/zinc/63/71/19/532637119.db2.gz XZUZHMGVRRNCMD-VXGBXAGGSA-N 1 0 376.320 2.385 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ncccc2Br)C1 ZINC000656875854 532637750 /nfs/dbraw/zinc/63/77/50/532637750.db2.gz KQCDJOIAHXPQBZ-CHWSQXEVSA-N 1 0 390.347 2.490 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)c2cc(I)ccc2O)CC1 ZINC000436527852 532637890 /nfs/dbraw/zinc/63/78/90/532637890.db2.gz FHHDTCPDBCWTNH-UHFFFAOYSA-N 1 0 386.233 2.379 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000263754713 532639332 /nfs/dbraw/zinc/63/93/32/532639332.db2.gz JJWPIRRVJQPJBK-ZIAGYGMSSA-N 1 0 375.560 2.042 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000656884284 532639804 /nfs/dbraw/zinc/63/98/04/532639804.db2.gz AQQXUSPBHQGKLE-GFCCVEGCSA-N 1 0 377.279 2.244 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC3([S@@](C)=O)CCC3)CC2)cc1 ZINC000377060552 532639854 /nfs/dbraw/zinc/63/98/54/532639854.db2.gz GZGZDBZJRPZTGG-XMMPIXPASA-N 1 0 384.567 2.039 20 0 GEADRO CC[N@H+](CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)C1CC1 ZINC000263776094 532640099 /nfs/dbraw/zinc/64/00/99/532640099.db2.gz UNQDHJTXAIXKIW-SNVBAGLBSA-N 1 0 388.331 2.229 20 0 GEADRO CC(C)C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1CCCC1 ZINC000531900113 532640323 /nfs/dbraw/zinc/64/03/23/532640323.db2.gz SWRBSYGPRQGBDV-UHFFFAOYSA-N 1 0 375.579 2.063 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])c3cc(OC)ccc32)s1 ZINC000377083537 532640824 /nfs/dbraw/zinc/64/08/24/532640824.db2.gz NZPFUWDSGTYLIA-LBPRGKRZSA-N 1 0 382.463 2.142 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCCOc2cc(Br)ccc21)c1cnccn1 ZINC000531964671 532641641 /nfs/dbraw/zinc/64/16/41/532641641.db2.gz HEKSPJQIZRWRCE-AWEZNQCLSA-N 1 0 391.269 2.472 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C1(c2ccc(I)cc2)CC1 ZINC000598155927 532642030 /nfs/dbraw/zinc/64/20/30/532642030.db2.gz CEXPDFCBJFTGJW-UHFFFAOYSA-N 1 0 384.261 2.343 20 0 GEADRO Brc1ccc(-n2cc(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)cn2)cc1 ZINC000567159413 532642873 /nfs/dbraw/zinc/64/28/73/532642873.db2.gz YJCGNPCVADEITR-QZTJIDSGSA-N 1 0 391.313 2.491 20 0 GEADRO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000532152566 532646644 /nfs/dbraw/zinc/64/66/44/532646644.db2.gz OCDOFDBRAYAEFV-OAHLLOKOSA-N 1 0 380.330 2.481 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(Br)ccc2O)CC1 ZINC000436731891 532643144 /nfs/dbraw/zinc/64/31/44/532643144.db2.gz REWPQIHTQIVTED-UHFFFAOYSA-N 1 0 399.285 2.160 20 0 GEADRO C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H](O)c1cccc(Br)c1 ZINC000298350463 532643348 /nfs/dbraw/zinc/64/33/48/532643348.db2.gz MMGKXVZDMXDOHH-CHWSQXEVSA-N 1 0 386.208 2.354 20 0 GEADRO O=S(=O)(c1ncccc1Br)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000656908778 532643560 /nfs/dbraw/zinc/64/35/60/532643560.db2.gz UJPXGXYSSMZJMZ-ZDUSSCGKSA-N 1 0 388.331 2.483 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000285065937 532644338 /nfs/dbraw/zinc/64/43/38/532644338.db2.gz OZMUHUXQRRQRTP-GFCCVEGCSA-N 1 0 380.901 2.166 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000532069849 532644486 /nfs/dbraw/zinc/64/44/86/532644486.db2.gz MZBMSWUTAADVRG-NHYWBVRUSA-N 1 0 395.301 2.170 20 0 GEADRO Cn1cc(C(=O)NCCC[NH+]2CCC(O)CC2)c(-c2ccc(Cl)s2)n1 ZINC000476410926 532644683 /nfs/dbraw/zinc/64/46/83/532644683.db2.gz FMFREGRAECRGKH-UHFFFAOYSA-N 1 0 382.917 2.379 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ncccc2Br)C[C@H]1C ZINC000656912821 532644994 /nfs/dbraw/zinc/64/49/94/532644994.db2.gz AOSJBOZSLYSXKB-VXGBXAGGSA-N 1 0 376.320 2.337 20 0 GEADRO O=S(=O)(c1ncccc1Br)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000656917501 532645181 /nfs/dbraw/zinc/64/51/81/532645181.db2.gz GBKZFUQFBVCXGZ-CYBMUJFWSA-N 1 0 388.331 2.341 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000633041113 532659767 /nfs/dbraw/zinc/65/97/67/532659767.db2.gz USZIXPMCIABALX-BQBZGAKWSA-N 1 0 378.629 2.128 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000633035284 532659873 /nfs/dbraw/zinc/65/98/73/532659873.db2.gz DQESEKGOIKPITE-SCZZXKLOSA-N 1 0 379.766 2.168 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000567732648 532660368 /nfs/dbraw/zinc/66/03/68/532660368.db2.gz KIAPXUKTZCUSHV-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(Cl)c1 ZINC000285257189 532663698 /nfs/dbraw/zinc/66/36/98/532663698.db2.gz HNTMRKYCEHQQED-OCCSQVGLSA-N 1 0 386.901 2.374 20 0 GEADRO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)nnn1-c1ccccc1Cl ZINC000480358924 532663780 /nfs/dbraw/zinc/66/37/80/532663780.db2.gz DMSBPOXHLTVULS-KRWDZBQOSA-N 1 0 379.917 2.396 20 0 GEADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000480358077 532663889 /nfs/dbraw/zinc/66/38/89/532663889.db2.gz BKJJHAOEBCDXPZ-UHFFFAOYSA-N 1 0 378.947 2.464 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)c(F)c1F ZINC000264160836 532663981 /nfs/dbraw/zinc/66/39/81/532663981.db2.gz FUGBZWLNEFAQPR-UHFFFAOYSA-N 1 0 378.416 2.027 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533441225 532664538 /nfs/dbraw/zinc/66/45/38/532664538.db2.gz OFWWROPECMWCNL-HNNXBMFYSA-N 1 0 379.302 2.373 20 0 GEADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377624321 532664802 /nfs/dbraw/zinc/66/48/02/532664802.db2.gz LBDIFHVWYSSMHX-WOSRLPQWSA-N 1 0 388.295 2.189 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000285274545 532664970 /nfs/dbraw/zinc/66/49/70/532664970.db2.gz QZKIJMICIGSIQU-CQSZACIVSA-N 1 0 394.313 2.008 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000660009181 532669371 /nfs/dbraw/zinc/66/93/71/532669371.db2.gz NNRIXTMSWIOSPK-AWEZNQCLSA-N 1 0 387.933 2.113 20 0 GEADRO Cc1nn(C)c(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1Br ZINC000377623385 532665712 /nfs/dbraw/zinc/66/57/12/532665712.db2.gz HZTWFNUAMGDAHV-OAHLLOKOSA-N 1 0 384.366 2.091 20 0 GEADRO O=C(Nc1cc(Br)ccn1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000285285591 532665917 /nfs/dbraw/zinc/66/59/17/532665917.db2.gz QWQXGCXCRHNTMD-ZIAGYGMSSA-N 1 0 383.290 2.343 20 0 GEADRO COc1nc(N2CC[NH+](C[C@H](OC)C3CCC3)CC2)ncc1Br ZINC000659994159 532667060 /nfs/dbraw/zinc/66/70/60/532667060.db2.gz SNLFNTBUPFTBIK-AWEZNQCLSA-N 1 0 385.306 2.185 20 0 GEADRO O=C(CN1CC[NH+](CC[C@@H]2CCOC2)CC1)Nc1ccc(Br)cc1 ZINC000438125107 532667031 /nfs/dbraw/zinc/66/70/31/532667031.db2.gz WFFDBSMFNTUIIK-OAHLLOKOSA-N 1 0 396.329 2.432 20 0 GEADRO CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000481152877 532667322 /nfs/dbraw/zinc/66/73/22/532667322.db2.gz CQDDXZYZSBWYRP-CXAGYDPISA-N 1 0 399.329 2.425 20 0 GEADRO COCC1(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000567853652 532667458 /nfs/dbraw/zinc/66/74/58/532667458.db2.gz JNICIXHHMKDQAO-UHFFFAOYSA-N 1 0 377.304 2.003 20 0 GEADRO O[C@H](C[NH2+]CC[C@H]1CCOC1)COc1ccc(I)cc1 ZINC000438215878 532667824 /nfs/dbraw/zinc/66/78/24/532667824.db2.gz RIRKOISTLIQZAE-GXTWGEPZSA-N 1 0 391.249 2.047 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000567885403 532668462 /nfs/dbraw/zinc/66/84/62/532668462.db2.gz OSUMLCVEAFSQJO-QMTHXVAHSA-N 1 0 394.324 2.000 20 0 GEADRO COCC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC[NH2+]CC1 ZINC000567868804 532668511 /nfs/dbraw/zinc/66/85/11/532668511.db2.gz HSUBHGCGTNEYFJ-UHFFFAOYSA-N 1 0 384.395 2.139 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccccc2I)C[C@@H]1[NH+](C)C ZINC000534092347 532669534 /nfs/dbraw/zinc/66/95/34/532669534.db2.gz FNWJDYLJOXRMNR-STQMWFEESA-N 1 0 390.290 2.409 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)NCCc2csc(N3CCCC3)n2)CCSC1 ZINC000481688994 532668679 /nfs/dbraw/zinc/66/86/79/532668679.db2.gz CZTYEODHTJZFIF-KRWDZBQOSA-N 1 0 383.587 2.022 20 0 GEADRO 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2.272 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000640732199 532695750 /nfs/dbraw/zinc/69/57/50/532695750.db2.gz NBFKZEYANBIIJI-ZDUSSCGKSA-N 1 0 381.527 3.047 20 0 GEADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000569498703 532696615 /nfs/dbraw/zinc/69/66/15/532696615.db2.gz ACLAENGHGNWRLM-NFAWXSAZSA-N 1 0 380.432 2.443 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(Br)ccc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439589265 532696904 /nfs/dbraw/zinc/69/69/04/532696904.db2.gz AKNYONBERBBRNG-LBPRGKRZSA-N 1 0 384.249 2.222 20 0 GEADRO [NH3+][C@H](c1cn(CC(=O)NC2CCCC2)nn1)c1ccc(Br)cc1 ZINC000640763659 532697229 /nfs/dbraw/zinc/69/72/29/532697229.db2.gz LVWZEZDIKYZDID-INIZCTEOSA-N 1 0 378.274 2.148 20 0 GEADRO [NH3+]CCOCc1cn(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000640762018 532697446 /nfs/dbraw/zinc/69/74/46/532697446.db2.gz GZABIEQERILKFO-UHFFFAOYSA-N 1 0 377.754 2.064 20 0 GEADRO [NH3+]CCOCc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1 ZINC000640762401 532697647 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C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000666287560 532700087 /nfs/dbraw/zinc/70/00/87/532700087.db2.gz GUVWHZIXCGKELO-LBPRGKRZSA-N 1 0 385.306 2.390 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)[C@H]2CCCN(c3ccccn3)C2)c1 ZINC000378629494 532700131 /nfs/dbraw/zinc/70/01/31/532700131.db2.gz VGJNKPGNKLUCCU-LBPRGKRZSA-N 1 0 391.269 2.398 20 0 GEADRO CC1(C)[C@H](CS(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1(F)F ZINC000641603006 532701663 /nfs/dbraw/zinc/70/16/63/532701663.db2.gz ZQBJTJXMIRJKBE-HNNXBMFYSA-N 1 0 380.501 2.088 20 0 GEADRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(Br)cn1 ZINC000382406852 532701946 /nfs/dbraw/zinc/70/19/46/532701946.db2.gz XRJIOWAGILVCSV-INIZCTEOSA-N 1 0 390.281 2.475 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cn(C)cc(Br)c1=O ZINC000666694752 532702043 /nfs/dbraw/zinc/70/20/43/532702043.db2.gz YHTCAKDUVDBSEU-NSHDSACASA-N 1 0 385.306 2.342 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000638789509 532687076 /nfs/dbraw/zinc/68/70/76/532687076.db2.gz NLENMJCDBHHKJH-AWEZNQCLSA-N 1 0 376.588 2.271 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cccc(I)c2)CCOCC1 ZINC000265048947 532687923 /nfs/dbraw/zinc/68/79/23/532687923.db2.gz SNQPRMCCKZEYRS-UHFFFAOYSA-N 1 0 388.249 2.132 20 0 GEADRO C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)CCc1cccc(Cl)c1 ZINC000285538841 532688373 /nfs/dbraw/zinc/68/83/73/532688373.db2.gz HOLPZNAQHDMFGP-HNNXBMFYSA-N 1 0 386.945 2.397 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000298971073 532689091 /nfs/dbraw/zinc/68/90/91/532689091.db2.gz KRAQMXRMJUOUAC-MRVPVSSYSA-N 1 0 396.207 2.473 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000639085095 532689437 /nfs/dbraw/zinc/68/94/37/532689437.db2.gz UMKXPCWETWHHKY-RISCZKNCSA-N 1 0 384.395 2.046 20 0 GEADRO Cc1cccc(Br)c1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000569179301 532690141 /nfs/dbraw/zinc/69/01/41/532690141.db2.gz WAYSTQPBBYIZCL-UHFFFAOYSA-N 1 0 396.329 2.430 20 0 GEADRO COC(=O)CCNC(=O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439331546 532690545 /nfs/dbraw/zinc/69/05/45/532690545.db2.gz YBJNBXUSMBHJSP-UHFFFAOYSA-N 1 0 383.286 2.308 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000439359402 532690669 /nfs/dbraw/zinc/69/06/69/532690669.db2.gz OMXRIXSXVXWFME-SECBINFHSA-N 1 0 390.228 2.218 20 0 GEADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000641973576 532703528 /nfs/dbraw/zinc/70/35/28/532703528.db2.gz VSLGEFHHQUCGBH-NEPJUHHUSA-N 1 0 378.416 2.447 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000606908795 532703725 /nfs/dbraw/zinc/70/37/25/532703725.db2.gz YYMHTNREOWLMFA-DZGCQCFKSA-N 1 0 385.555 2.052 20 0 GEADRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(F)F ZINC000383558316 532704071 /nfs/dbraw/zinc/70/40/71/532704071.db2.gz RXIUQMIALOZJSO-MRVPVSSYSA-N 1 0 377.638 2.363 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCSC[C@H]1CCO ZINC000537108841 532704093 /nfs/dbraw/zinc/70/40/93/532704093.db2.gz LYZKEXAKERQNDJ-JKSUJKDBSA-N 1 0 383.583 2.470 20 0 GEADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cnc(N(C)C)s2)cc1 ZINC000299242211 532704300 /nfs/dbraw/zinc/70/43/00/532704300.db2.gz VIFOUCUDKUQAPJ-UHFFFAOYSA-N 1 0 382.555 2.327 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000440053460 532704792 /nfs/dbraw/zinc/70/47/92/532704792.db2.gz QTCYUASYYRNXTI-JTQLQIEISA-N 1 0 392.258 2.298 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C[C@H]1[NH3+] ZINC000666869549 532705213 /nfs/dbraw/zinc/70/52/13/532705213.db2.gz XXGQBWMXFKJHJL-DGCLKSJQSA-N 1 0 383.290 2.097 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@H](C)C2C[NH2+]C2)C[C@H]1c1ccc(Br)cc1 ZINC000569720179 532705461 /nfs/dbraw/zinc/70/54/61/532705461.db2.gz AUUPLMSBYVOHAG-XFBWCDHKSA-N 1 0 395.297 2.020 20 0 GEADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cncc(Br)c1 ZINC000387939654 532705533 /nfs/dbraw/zinc/70/55/33/532705533.db2.gz WWOMZVXQKZNSOE-HNNXBMFYSA-N 1 0 382.283 2.091 20 0 GEADRO OC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000391074527 532706418 /nfs/dbraw/zinc/70/64/18/532706418.db2.gz XGZRBCGBXGJPDS-SJORKVTESA-N 1 0 380.282 2.382 20 0 GEADRO COCCn1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)cn1 ZINC000266197144 532706936 /nfs/dbraw/zinc/70/69/36/532706936.db2.gz KGFLNPRKOSNDDS-UHFFFAOYSA-N 1 0 395.301 2.202 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000572630631 532708526 /nfs/dbraw/zinc/70/85/26/532708526.db2.gz GOXRVDZVDOTISK-SWLSCSKDSA-N 1 0 392.301 2.326 20 0 GEADRO CN1CC[C@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC000285798177 532709138 /nfs/dbraw/zinc/70/91/38/532709138.db2.gz LOXFQQKCJYJONB-WMLDXEAASA-N 1 0 384.929 2.447 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000440351067 532709716 /nfs/dbraw/zinc/70/97/16/532709716.db2.gz BTPQNKNVCMMOKH-RYUDHWBXSA-N 1 0 391.331 2.433 20 0 GEADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000440337584 532710163 /nfs/dbraw/zinc/71/01/63/532710163.db2.gz HNSVHBBIICESJY-MRVPVSSYSA-N 1 0 387.221 2.450 20 0 GEADRO C[S@@](=O)C1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCC1 ZINC000393696976 532710222 /nfs/dbraw/zinc/71/02/22/532710222.db2.gz GKBNWWRRFUJCEU-YEJXKQKISA-N 1 0 376.316 2.080 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cscn1 ZINC000668370809 532711315 /nfs/dbraw/zinc/71/13/15/532711315.db2.gz CNXQRXPDXACCQW-GXTWGEPZSA-N 1 0 378.523 2.335 20 0 GEADRO C[C@@H](NC(=O)c1ccc(I)c(O)c1)C1CC[NH+](C)CC1 ZINC000396482359 532711607 /nfs/dbraw/zinc/71/16/07/532711607.db2.gz JOHWNKYUFAVVEI-SNVBAGLBSA-N 1 0 388.249 2.457 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440382536 532711782 /nfs/dbraw/zinc/71/17/82/532711782.db2.gz NQQMPAKLSGYWRL-CQSZACIVSA-N 1 0 381.929 2.407 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@H]21 ZINC000395263593 532712087 /nfs/dbraw/zinc/71/20/87/532712087.db2.gz XOJROEJGOPPLKK-GDGBQDQQSA-N 1 0 379.707 2.283 20 0 GEADRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000608077695 532712784 /nfs/dbraw/zinc/71/27/84/532712784.db2.gz XYDLMXNFGRAOPW-ABAIWWIYSA-N 1 0 393.285 2.475 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(I)c2)[C@H]1C[NH3+] ZINC000440407444 532713741 /nfs/dbraw/zinc/71/37/41/532713741.db2.gz NKGDWABQSJHREZ-MFKMUULPSA-N 1 0 394.278 2.039 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cccn2c(I)cnc12 ZINC000285861363 532715097 /nfs/dbraw/zinc/71/50/97/532715097.db2.gz BBOWCUGKYMRICY-LLVKDONJSA-N 1 0 398.248 2.282 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000440444495 532715099 /nfs/dbraw/zinc/71/50/99/532715099.db2.gz YUHJGEVTNYDBBT-LLVKDONJSA-N 1 0 382.404 2.144 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000574592632 532715343 /nfs/dbraw/zinc/71/53/43/532715343.db2.gz UVJMCCVNCHKGBI-GFCCVEGCSA-N 1 0 395.301 2.021 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2sc(C)c(Br)c2OC)C1 ZINC000266365678 532715821 /nfs/dbraw/zinc/71/58/21/532715821.db2.gz QPNFIJXRJVJZLB-JTQLQIEISA-N 1 0 377.304 2.278 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2sc(C)c(Br)c2OC)C1 ZINC000266365683 532716547 /nfs/dbraw/zinc/71/65/47/532716547.db2.gz QPNFIJXRJVJZLB-SNVBAGLBSA-N 1 0 377.304 2.278 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)NCCc1ccc(Br)cc1)CCO2 ZINC000645300797 532716764 /nfs/dbraw/zinc/71/67/64/532716764.db2.gz SFPZZGUBNMCNFK-UHFFFAOYSA-N 1 0 396.329 2.498 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670495219 532716996 /nfs/dbraw/zinc/71/69/96/532716996.db2.gz ANBCDCACXJCEAL-BZNIZROVSA-N 1 0 384.307 2.251 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nccn2c(Br)cnc12 ZINC000285893637 532717368 /nfs/dbraw/zinc/71/73/68/532717368.db2.gz RMQNJPKZLCQLAY-NEPJUHHUSA-N 1 0 378.274 2.191 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000670494603 532717495 /nfs/dbraw/zinc/71/74/95/532717495.db2.gz GLFXWSCRTPSCSY-OAHLLOKOSA-N 1 0 384.307 2.349 20 0 GEADRO O=C(c1ccc(Br)c(F)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000299497417 532722081 /nfs/dbraw/zinc/72/20/81/532722081.db2.gz KXVQMGNCYOSHKO-UHFFFAOYSA-N 1 0 384.293 2.442 20 0 GEADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000285971389 532722743 /nfs/dbraw/zinc/72/27/43/532722743.db2.gz DSVOFKPCSBVPQG-HOCLYGCPSA-N 1 0 385.555 2.153 20 0 GEADRO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[C@H](O)C[NH+]2CCN(C)CC2)n1 ZINC000576128837 532723525 /nfs/dbraw/zinc/72/35/25/532723525.db2.gz IIUNSXRJLXAWMD-CQSZACIVSA-N 1 0 384.311 2.169 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000285974237 532723620 /nfs/dbraw/zinc/72/36/20/532723620.db2.gz HLHLKOMWZGQIAH-LLVKDONJSA-N 1 0 398.248 2.140 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000440861191 532723830 /nfs/dbraw/zinc/72/38/30/532723830.db2.gz RAENFGYMPRTSLN-DTWKUNHWSA-N 1 0 381.267 2.145 20 0 GEADRO COc1cc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1Br ZINC000440858186 532723983 /nfs/dbraw/zinc/72/39/83/532723983.db2.gz KJJWLZWMUOJORP-AWEZNQCLSA-N 1 0 377.304 2.126 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000646474879 532724017 /nfs/dbraw/zinc/72/40/17/532724017.db2.gz CVIHWIRKCLOQQL-UHOFOFEASA-N 1 0 394.313 2.353 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCN(c2ccc(Br)cc2)CC1 ZINC000612997395 532724253 /nfs/dbraw/zinc/72/42/53/532724253.db2.gz XTDRVESLGAOFHH-INIZCTEOSA-N 1 0 393.329 2.423 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612985685 532724381 /nfs/dbraw/zinc/72/43/81/532724381.db2.gz MSCWNSWQLZAFQF-GDBMZVCRSA-N 1 0 396.329 2.041 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000646480738 532724523 /nfs/dbraw/zinc/72/45/23/532724523.db2.gz ZYGRITUAHGRBEY-DVOMOZLQSA-N 1 0 394.313 2.353 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000646483652 532724953 /nfs/dbraw/zinc/72/49/53/532724953.db2.gz HLIUUOAXOMWITF-IUODEOHRSA-N 1 0 382.302 2.120 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000440862892 532725513 /nfs/dbraw/zinc/72/55/13/532725513.db2.gz PHKBOJBINFZAOH-ZIAGYGMSSA-N 1 0 376.906 2.304 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(SC)oc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000613011826 532725860 /nfs/dbraw/zinc/72/58/60/532725860.db2.gz KFJQUSXFFLBGMO-CQSZACIVSA-N 1 0 388.555 2.281 20 0 GEADRO C[C@@H]([NH2+]CC[S@](=O)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000539302524 532728096 /nfs/dbraw/zinc/72/80/96/532728096.db2.gz ATBAFTGEBWZIIK-MYYSRTQBSA-N 1 0 380.535 2.395 20 0 GEADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000576211530 532728217 /nfs/dbraw/zinc/72/82/17/532728217.db2.gz HGGWQXOQDCXBMQ-ZSHCYNCHSA-N 1 0 394.313 2.014 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cccc(Br)c1 ZINC000672616378 532728880 /nfs/dbraw/zinc/72/88/80/532728880.db2.gz CRIIZDBFIFGXEN-IUODEOHRSA-N 1 0 390.347 2.371 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)CCSC1 ZINC000499972257 532729620 /nfs/dbraw/zinc/72/96/20/532729620.db2.gz ZVSRGSIISVZOEN-GJZGRUSLSA-N 1 0 379.423 2.096 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000499961123 532729715 /nfs/dbraw/zinc/72/97/15/532729715.db2.gz FYXUZTVKGIRCAZ-UHFFFAOYSA-N 1 0 390.272 2.024 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1Br ZINC000266984401 532731089 /nfs/dbraw/zinc/73/10/89/532731089.db2.gz AQAYEYOGGUSGHJ-JTQLQIEISA-N 1 0 395.319 2.085 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000673818588 532731110 /nfs/dbraw/zinc/73/11/10/532731110.db2.gz LCEQSGXIVUWHSM-UHFFFAOYSA-N 1 0 389.315 2.363 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)C1 ZINC000442573262 532731485 /nfs/dbraw/zinc/73/14/85/532731485.db2.gz XPGJDDHPKYCIDS-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000442594617 532732287 /nfs/dbraw/zinc/73/22/87/532732287.db2.gz DFGZDBRSOWGBLY-KGLIPLIRSA-N 1 0 394.313 2.389 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)NCCC2CC[NH+](C)CC2)ccc1Cl ZINC000299645073 532732822 /nfs/dbraw/zinc/73/28/22/532732822.db2.gz KXMJOCNEKSHXLY-UHFFFAOYSA-N 1 0 387.933 2.052 20 0 GEADRO O=S1(=O)CC[C@@H](CC[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)C1 ZINC000646017151 532719709 /nfs/dbraw/zinc/71/97/09/532719709.db2.gz FTOJWBHIPFCBPM-IUODEOHRSA-N 1 0 381.416 2.423 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000579712061 532743020 /nfs/dbraw/zinc/74/30/20/532743020.db2.gz KNJYMGOHJOOHDU-UWVGGRQHSA-N 1 0 379.258 2.178 20 0 GEADRO O=c1[nH]ccc2c1C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000580146368 532746221 /nfs/dbraw/zinc/74/62/21/532746221.db2.gz RONWXDOQBQDQJC-CQSZACIVSA-N 1 0 379.254 2.348 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000615088237 532746504 /nfs/dbraw/zinc/74/65/04/532746504.db2.gz QPEDINGOUCXWOD-GFCCVEGCSA-N 1 0 382.302 2.478 20 0 GEADRO Cc1nc2n(n1)C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)CC2 ZINC000580468419 532748088 /nfs/dbraw/zinc/74/80/88/532748088.db2.gz WVMQABHMWFDTHK-AWEZNQCLSA-N 1 0 378.274 2.282 20 0 GEADRO CCN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H](C)CS(=O)(=O)CC ZINC000500738991 532734145 /nfs/dbraw/zinc/73/41/45/532734145.db2.gz XPXKURGEUREEPF-INIZCTEOSA-N 1 0 375.579 2.496 20 0 GEADRO Cc1c(Cl)c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)sc1S(N)(=O)=O ZINC000286202896 532734234 /nfs/dbraw/zinc/73/42/34/532734234.db2.gz MICRGKHAHHIUDK-ZACCUICWSA-N 1 0 391.946 2.055 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1Br ZINC000673885701 532734391 /nfs/dbraw/zinc/73/43/91/532734391.db2.gz KHUMBCOWFSBOSL-OAHLLOKOSA-N 1 0 383.286 2.327 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1=O ZINC000577136761 532734640 /nfs/dbraw/zinc/73/46/40/532734640.db2.gz ZBHGLUIGMQRDDV-DIOULYMOSA-N 1 0 384.307 2.376 20 0 GEADRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)Nc1ccc(I)cc1 ZINC000286231407 532735092 /nfs/dbraw/zinc/73/50/92/532735092.db2.gz RJEPQMMBVOWJGT-SMDDNHRTSA-N 1 0 388.249 2.370 20 0 GEADRO CC(C)[C@@H](CNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000500752446 532735256 /nfs/dbraw/zinc/73/52/56/532735256.db2.gz FHYWDVXNHLVUPT-YESZJQIVSA-N 1 0 375.579 2.206 20 0 GEADRO CC(C)[C@@H](CNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000500752439 532735844 /nfs/dbraw/zinc/73/58/44/532735844.db2.gz FHYWDVXNHLVUPT-BRWVUGGUSA-N 1 0 375.579 2.206 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2c(C)cnn2C)c1 ZINC000286254749 532736417 /nfs/dbraw/zinc/73/64/17/532736417.db2.gz ASBVHEGACYDXRJ-UHFFFAOYSA-N 1 0 395.301 2.409 20 0 GEADRO CCCS(=O)(=O)Nc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000267165764 532736468 /nfs/dbraw/zinc/73/64/68/532736468.db2.gz ZUNPCNCULVOZEK-QGZVFWFLSA-N 1 0 385.555 2.005 20 0 GEADRO Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000501127693 532736604 /nfs/dbraw/zinc/73/66/04/532736604.db2.gz IZJWMIGRHUFFST-ZBFHGGJFSA-N 1 0 379.551 2.272 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000540910101 532747871 /nfs/dbraw/zinc/74/78/71/532747871.db2.gz ZLKHPUBWRAAHOH-NHYWBVRUSA-N 1 0 395.301 2.170 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000578507020 532736927 /nfs/dbraw/zinc/73/69/27/532736927.db2.gz DPYSJKIKVBAWDU-LOWVWBTDSA-N 1 0 388.295 2.215 20 0 GEADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCSC[C@H]1CCO ZINC000540412707 532737629 /nfs/dbraw/zinc/73/76/29/532737629.db2.gz VNCGAAPNKZQWMU-MRXNPFEDSA-N 1 0 383.583 2.470 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNCc1ncc(I)s1 ZINC000286270980 532737976 /nfs/dbraw/zinc/73/79/76/532737976.db2.gz BHXMCTSRJPOAPA-SNVBAGLBSA-N 1 0 383.299 2.194 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Cl)c(Br)cc1F ZINC000614503536 532738268 /nfs/dbraw/zinc/73/82/68/532738268.db2.gz MTPMAVLWWWAFPW-JTQLQIEISA-N 1 0 390.684 2.361 20 0 GEADRO O=C(Cc1cc(Cl)ccc1Br)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614509049 532738708 /nfs/dbraw/zinc/73/87/08/532738708.db2.gz ZJIUALRWODKRJF-CQSZACIVSA-N 1 0 386.721 2.151 20 0 GEADRO CSCCc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000267347010 532738890 /nfs/dbraw/zinc/73/88/90/532738890.db2.gz QLWQOJZCAWPFHX-GOSISDBHSA-N 1 0 381.567 2.084 20 0 GEADRO C[N@H+](C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000578682646 532739069 /nfs/dbraw/zinc/73/90/69/532739069.db2.gz QOUAATMONPMANV-QGZVFWFLSA-N 1 0 386.323 2.206 20 0 GEADRO COC(=O)CC[N@@H+]1CCN(Cc2cc3c(cc2Br)OCO3)[C@@H](C)C1 ZINC000540422468 532739103 /nfs/dbraw/zinc/73/91/03/532739103.db2.gz URCPEYCSSHJOOB-LBPRGKRZSA-N 1 0 399.285 2.247 20 0 GEADRO COC(=O)CC[N@@H+]1CCN(CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000540421982 532739224 /nfs/dbraw/zinc/73/92/24/532739224.db2.gz NKGBDBKYOHWYAZ-CQSZACIVSA-N 1 0 385.302 2.397 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)c(Cl)c1F ZINC000614505694 532739796 /nfs/dbraw/zinc/73/97/96/532739796.db2.gz RRJNXQUIAOIKLO-SNVBAGLBSA-N 1 0 390.684 2.361 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000540514061 532740106 /nfs/dbraw/zinc/74/01/06/532740106.db2.gz RMMNAULUEQYJJQ-CHWSQXEVSA-N 1 0 387.933 2.085 20 0 GEADRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000675819279 532740683 /nfs/dbraw/zinc/74/06/83/532740683.db2.gz LEBUWYJNVKYDCY-OAHLLOKOSA-N 1 0 389.974 2.044 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000502826072 532740750 /nfs/dbraw/zinc/74/07/50/532740750.db2.gz CGUFGYQFFOPLLX-CYBMUJFWSA-N 1 0 397.317 2.432 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000675781889 532741180 /nfs/dbraw/zinc/74/11/80/532741180.db2.gz FWCMRYVTJGFKDC-OAHLLOKOSA-N 1 0 382.302 2.026 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000675782730 532741222 /nfs/dbraw/zinc/74/12/22/532741222.db2.gz XTSJUQRFGQEESY-HNNXBMFYSA-N 1 0 382.302 2.026 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNc2ccc(I)cn2)C[C@H](C)O1 ZINC000579533558 532741945 /nfs/dbraw/zinc/74/19/45/532741945.db2.gz BDQUUDBQJJTXCA-TXEJJXNPSA-N 1 0 375.254 2.597 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCO3)C[C@@H]1[NH+]1CCCC1 ZINC000445753700 532754115 /nfs/dbraw/zinc/75/41/15/532754115.db2.gz UJPKRFYEUISPDN-FUHWJXTLSA-N 1 0 382.551 2.212 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCCOCC[NH+](C)C ZINC000541534293 532754315 /nfs/dbraw/zinc/75/43/15/532754315.db2.gz VUJKVDNPZBDQDW-GFCCVEGCSA-N 1 0 375.282 2.461 20 0 GEADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000581342525 532754799 /nfs/dbraw/zinc/75/47/99/532754799.db2.gz TZPIYACORANYDD-NSHDSACASA-N 1 0 384.278 2.140 20 0 GEADRO CC(C)([NH3+])c1noc(Cn2cc(C(F)(F)F)cc(Br)c2=O)n1 ZINC000581367912 532755744 /nfs/dbraw/zinc/75/57/44/532755744.db2.gz AMCQROJMAFUJBM-UHFFFAOYSA-N 1 0 381.152 2.255 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000286598178 532757928 /nfs/dbraw/zinc/75/79/28/532757928.db2.gz WUDKUZQLIVNBIS-CQSZACIVSA-N 1 0 386.323 2.452 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)c2csc(I)c2)CC1 ZINC000583032657 532763361 /nfs/dbraw/zinc/76/33/61/532763361.db2.gz ZSZSLLQHTUVGPG-UHFFFAOYSA-N 1 0 394.278 2.193 20 0 GEADRO CC(C)c1cc(N(C)[C@H](C)C[S@](C)=O)nc(N(C)[C@@H](C)C[S@](C)=O)[nH+]1 ZINC000618680499 532758579 /nfs/dbraw/zinc/75/85/79/532758579.db2.gz BKUOLEMTSMLCGA-ZFULBELASA-N 1 0 388.603 2.006 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000541729245 532758560 /nfs/dbraw/zinc/75/85/60/532758560.db2.gz GQAWQXXDQSZGNM-UHFFFAOYSA-N 1 0 376.284 2.407 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cc(F)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000268255405 532759376 /nfs/dbraw/zinc/75/93/76/532759376.db2.gz XVLYMNWQTRHFMI-OAHLLOKOSA-N 1 0 376.881 2.060 20 0 GEADRO O=C(CCCOc1ccccc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286680506 532761241 /nfs/dbraw/zinc/76/12/41/532761241.db2.gz FUXMVLSDQHSOTL-OAHLLOKOSA-N 1 0 396.329 2.114 20 0 GEADRO O=C(CCCOc1ccccc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286680497 532761782 /nfs/dbraw/zinc/76/17/82/532761782.db2.gz FUXMVLSDQHSOTL-HNNXBMFYSA-N 1 0 396.329 2.114 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000541877266 532761836 /nfs/dbraw/zinc/76/18/36/532761836.db2.gz DSAOXKVTAOENQV-JTQLQIEISA-N 1 0 375.803 2.338 20 0 GEADRO CC(C)[NH2+]CCC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000582803825 532761943 /nfs/dbraw/zinc/76/19/43/532761943.db2.gz PTPORHVBRFDHPY-UHFFFAOYSA-N 1 0 397.317 2.409 20 0 GEADRO NS(=O)(=O)c1cccc(NC(=O)CC[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000411464204 532762489 /nfs/dbraw/zinc/76/24/89/532762489.db2.gz UFHLBJAWFUYRQP-QGZVFWFLSA-N 1 0 379.507 2.465 20 0 GEADRO Nc1nc(-n2cccn2)cc(NCc2cc3c(c(Br)c2)OCO3)[nH+]1 ZINC000301984993 532762570 /nfs/dbraw/zinc/76/25/70/532762570.db2.gz SRXNGCVMOMMJOX-UHFFFAOYSA-N 1 0 389.213 2.348 20 0 GEADRO O=C(c1cc(F)c(F)cc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620481042 532762648 /nfs/dbraw/zinc/76/26/48/532762648.db2.gz PDTDTLZDHJOGOV-NSHDSACASA-N 1 0 389.240 2.399 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000620477116 532762697 /nfs/dbraw/zinc/76/26/97/532762697.db2.gz ALPQIEIJGFPOCD-QGZVFWFLSA-N 1 0 396.329 2.186 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620483081 532762707 /nfs/dbraw/zinc/76/27/07/532762707.db2.gz XZMPSQJXPBOULP-MRXNPFEDSA-N 1 0 397.313 2.058 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620477420 532762931 /nfs/dbraw/zinc/76/29/31/532762931.db2.gz HOQRDIADZDDGNH-CQSZACIVSA-N 1 0 397.313 2.437 20 0 GEADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000451234953 532762976 /nfs/dbraw/zinc/76/29/76/532762976.db2.gz MTBBXQUAOILAOJ-UHFFFAOYSA-N 1 0 378.897 2.088 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620478995 532763026 /nfs/dbraw/zinc/76/30/26/532763026.db2.gz MJQKDOIZFGHPBL-HNNXBMFYSA-N 1 0 385.277 2.188 20 0 GEADRO NS(=O)(=O)c1cccc(NC(=O)CC[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000411464201 532763084 /nfs/dbraw/zinc/76/30/84/532763084.db2.gz UFHLBJAWFUYRQP-KRWDZBQOSA-N 1 0 379.507 2.465 20 0 GEADRO C[NH+](C)[C@@]1(CNCc2ncc(I)s2)CCSC1 ZINC000286453968 532748531 /nfs/dbraw/zinc/74/85/31/532748531.db2.gz JXGHOSBSEAEKBJ-LLVKDONJSA-N 1 0 383.324 2.275 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)C1 ZINC000286462954 532748587 /nfs/dbraw/zinc/74/85/87/532748587.db2.gz GLWUAKRGFFSPQT-NEPJUHHUSA-N 1 0 388.295 2.008 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000616153769 532750350 /nfs/dbraw/zinc/75/03/50/532750350.db2.gz JKGZNGHLUANUOS-UHFFFAOYSA-N 1 0 393.289 2.029 20 0 GEADRO O=S(=O)(c1cccc(Br)c1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000541393577 532752521 /nfs/dbraw/zinc/75/25/21/532752521.db2.gz QCRWOHWGAROPKW-NSHDSACASA-N 1 0 377.279 2.447 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CCSC1 ZINC000411282107 532753879 /nfs/dbraw/zinc/75/38/79/532753879.db2.gz WXIMLXGWNBKIPB-NHYWBVRUSA-N 1 0 383.480 2.023 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000286907688 532774989 /nfs/dbraw/zinc/77/49/89/532774989.db2.gz CSNPUSWPGHPIQR-STQMWFEESA-N 1 0 377.539 2.381 20 0 GEADRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000512165937 532776390 /nfs/dbraw/zinc/77/63/90/532776390.db2.gz IOXJLIHNLQQHNP-SMDDNHRTSA-N 1 0 389.352 2.378 20 0 GEADRO COCC(COC)[NH+]1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000411838846 532776745 /nfs/dbraw/zinc/77/67/45/532776745.db2.gz BSMJIWQZNZWYSY-UHFFFAOYSA-N 1 0 375.282 2.367 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000269173536 532776729 /nfs/dbraw/zinc/77/67/29/532776729.db2.gz KJPDAOJDGJSTOD-DYVFJYSZSA-N 1 0 386.323 2.483 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000512221077 532777036 /nfs/dbraw/zinc/77/70/36/532777036.db2.gz WFKPNENOHDEENS-HOPMXRPOSA-N 1 0 391.339 2.477 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000269249717 532777121 /nfs/dbraw/zinc/77/71/21/532777121.db2.gz GPEZWYGNMHDEOU-RHSMWYFYSA-N 1 0 396.329 2.033 20 0 GEADRO C[C@H]([NH3+])CNC(=O)c1cccc(Br)c1I ZINC000309815272 532777675 /nfs/dbraw/zinc/77/76/75/532777675.db2.gz VDZOAQQBZYUIPR-LURJTMIESA-N 1 0 383.027 2.131 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CC[C@H]1[NH3+] ZINC000269265231 532778466 /nfs/dbraw/zinc/77/84/66/532778466.db2.gz KKFBILXUOCDGOT-XHDPSFHLSA-N 1 0 387.933 2.226 20 0 GEADRO COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000411905868 532779257 /nfs/dbraw/zinc/77/92/57/532779257.db2.gz BSBKHXNCDJUUFQ-NWDGAFQWSA-N 1 0 388.295 2.357 20 0 GEADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000411909587 532779516 /nfs/dbraw/zinc/77/95/16/532779516.db2.gz FZQBHVFRYJQIID-DOMZBBRYSA-N 1 0 389.279 2.244 20 0 GEADRO O=C(CCc1ccccc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620487401 532763823 /nfs/dbraw/zinc/76/38/23/532763823.db2.gz XRZCBGLKRWNHIY-INIZCTEOSA-N 1 0 381.314 2.439 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)C[C@@H]1CCCCC1(F)F)N1CC[NH+](C)CC1 ZINC000583065563 532763952 /nfs/dbraw/zinc/76/39/52/532763952.db2.gz LMDVOYRSZHNCEK-HOTGVXAUSA-N 1 0 381.533 2.003 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000620488202 532764349 /nfs/dbraw/zinc/76/43/49/532764349.db2.gz GQEBZQXVAWBKIY-ZDUSSCGKSA-N 1 0 383.286 2.129 20 0 GEADRO O=C(CCOc1ccccc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620486719 532764442 /nfs/dbraw/zinc/76/44/42/532764442.db2.gz MDIRUOUPDNWCMA-HNNXBMFYSA-N 1 0 397.313 2.276 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)C[C@@H]1CCCCC1(F)F)N1CC[NH+](C)CC1 ZINC000583065565 532764536 /nfs/dbraw/zinc/76/45/36/532764536.db2.gz LMDVOYRSZHNCEK-JKSUJKDBSA-N 1 0 381.533 2.003 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C2(c3cncc(Br)c3)CC2)CCO1 ZINC000620977556 532764562 /nfs/dbraw/zinc/76/45/62/532764562.db2.gz ZJHSJEKZFDBXMN-MRXNPFEDSA-N 1 0 396.329 2.445 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620970753 532765142 /nfs/dbraw/zinc/76/51/42/532765142.db2.gz XHLNQULJFIOLIP-AWEZNQCLSA-N 1 0 399.333 2.093 20 0 GEADRO CC[C@@H](C)[C@@H](NC(=O)C(=O)NCC1(SC)CC[NH+](C)CC1)C(F)(F)F ZINC000411536984 532766172 /nfs/dbraw/zinc/76/61/72/532766172.db2.gz BVZCTCWTVWNAES-VXGBXAGGSA-N 1 0 383.480 2.023 20 0 GEADRO CCn1cccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1=O ZINC000583748541 532766387 /nfs/dbraw/zinc/76/63/87/532766387.db2.gz KSPWPBNRXNJKLO-OAHLLOKOSA-N 1 0 381.270 2.160 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000584531162 532768850 /nfs/dbraw/zinc/76/88/50/532768850.db2.gz WRUBJFRCAFQCNN-JRKPZEMJSA-N 1 0 398.248 2.284 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000588763977 532770912 /nfs/dbraw/zinc/77/09/12/532770912.db2.gz DZCLWRVPBHFMHC-CGZBRXJRSA-N 1 0 375.579 2.111 20 0 GEADRO C[C@@H]1CN(CC(=O)Nc2ccc(I)cc2)[C@@H](C)C[N@@H+]1C ZINC000509461050 532771280 /nfs/dbraw/zinc/77/12/80/532771280.db2.gz CBVWOPAKRMWXFF-NEPJUHHUSA-N 1 0 387.265 2.254 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000302692699 532771929 /nfs/dbraw/zinc/77/19/29/532771929.db2.gz VZYJMFGLWMQYJX-MRXNPFEDSA-N 1 0 384.567 2.380 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000268828027 532772097 /nfs/dbraw/zinc/77/20/97/532772097.db2.gz VOHMRIZUCQQROH-SECBINFHSA-N 1 0 376.682 2.497 20 0 GEADRO C[C@@H](CNC(=O)CCc1ccc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000588935512 532772498 /nfs/dbraw/zinc/77/24/98/532772498.db2.gz OKKWPTQRYUKWCY-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000286866628 532773163 /nfs/dbraw/zinc/77/31/63/532773163.db2.gz BMUSUJBGNRFCKR-CABCVRRESA-N 1 0 386.945 2.491 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCCCS3(=O)=O)cnc12 ZINC000542483193 532773304 /nfs/dbraw/zinc/77/33/04/532773304.db2.gz LKIPQEKNVCKNNB-AWEZNQCLSA-N 1 0 386.315 2.462 20 0 GEADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000286866632 532773469 /nfs/dbraw/zinc/77/34/69/532773469.db2.gz BMUSUJBGNRFCKR-GJZGRUSLSA-N 1 0 386.945 2.491 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000302762949 532774023 /nfs/dbraw/zinc/77/40/23/532774023.db2.gz XTWXWULFSBQASN-CYBMUJFWSA-N 1 0 387.709 2.240 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)CC[C@@H]21 ZINC000268996014 532774292 /nfs/dbraw/zinc/77/42/92/532774292.db2.gz HXBKDEBEYOSLMY-ABAIWWIYSA-N 1 0 398.276 2.469 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3c(F)cccc3Br)CC[C@@H]21 ZINC000268992345 532774467 /nfs/dbraw/zinc/77/44/67/532774467.db2.gz GQLASNHBFNHDHW-RISCZKNCSA-N 1 0 398.276 2.469 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Br)o1 ZINC000544713616 532782813 /nfs/dbraw/zinc/78/28/13/532782813.db2.gz OBLOUDPLAIAHDY-UHFFFAOYSA-N 1 0 377.260 2.388 20 0 GEADRO CC(C)[C@@H](C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC000456497197 532782864 /nfs/dbraw/zinc/78/28/64/532782864.db2.gz YNZUTRSJJKYBAY-LRDDRELGSA-N 1 0 389.309 2.442 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nnnn1-c1ccccc1Br ZINC000287098963 532783264 /nfs/dbraw/zinc/78/32/64/532783264.db2.gz WHYZVFDGKCCXSV-HIFRSBDPSA-N 1 0 391.317 2.483 20 0 GEADRO O=C(NC[C@@H](CO)Cc1cc(Br)ccc1F)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000456497086 532783285 /nfs/dbraw/zinc/78/32/85/532783285.db2.gz YMDPIDMOZFQAFN-SJCJKPOMSA-N 1 0 399.304 2.482 20 0 GEADRO CON1CCC([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000459579261 532796696 /nfs/dbraw/zinc/79/66/96/532796696.db2.gz KEKXGTPWILZZPT-UHFFFAOYSA-N 1 0 384.318 2.365 20 0 GEADRO CC(C)(CN1CCOCC1)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000412001371 532783429 /nfs/dbraw/zinc/78/34/29/532783429.db2.gz YUXFPJXXPBVMCS-UHFFFAOYSA-N 1 0 384.318 2.478 20 0 GEADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000269586600 532784291 /nfs/dbraw/zinc/78/42/91/532784291.db2.gz LUVGFBBLCCZLTG-CQSZACIVSA-N 1 0 385.295 2.147 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cncc(I)c1 ZINC000287161545 532784486 /nfs/dbraw/zinc/78/44/86/532784486.db2.gz NTWJAPASVDXGSH-SMDDNHRTSA-N 1 0 385.249 2.385 20 0 GEADRO CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000269618067 532784950 /nfs/dbraw/zinc/78/49/50/532784950.db2.gz MVXXBARREIQYBN-OAHLLOKOSA-N 1 0 390.571 2.193 20 0 GEADRO CN(C(=O)C1CN(CC(F)(F)F)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075660 532785103 /nfs/dbraw/zinc/78/51/03/532785103.db2.gz WWNKGXYWBRPJOO-UHFFFAOYSA-N 1 0 375.357 2.356 20 0 GEADRO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000412081001 532785291 /nfs/dbraw/zinc/78/52/91/532785291.db2.gz LWJHSGGVMWOURH-RYUDHWBXSA-N 1 0 388.249 2.323 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000457062251 532785497 /nfs/dbraw/zinc/78/54/97/532785497.db2.gz ADHBAHPDWZMOOL-OAHLLOKOSA-N 1 0 382.302 2.120 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2C)C[C@H]1[NH+]1CCCC1 ZINC000287183166 532785585 /nfs/dbraw/zinc/78/55/85/532785585.db2.gz DDAMBSXDRVCMIX-OLZOCXBDSA-N 1 0 375.947 2.244 20 0 GEADRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000412093141 532785918 /nfs/dbraw/zinc/78/59/18/532785918.db2.gz RORFJBXKEXRPIC-LALPHHSUSA-N 1 0 376.266 2.421 20 0 GEADRO C[C@H](N1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1)C(F)(F)F ZINC000412169070 532786506 /nfs/dbraw/zinc/78/65/06/532786506.db2.gz RIXWSGHHKVFDKQ-DZGCQCFKSA-N 1 0 379.492 2.299 20 0 GEADRO Cc1c(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)sc1S(N)(=O)=O ZINC000287266694 532789052 /nfs/dbraw/zinc/78/90/52/532789052.db2.gz SEDRYXVAJFXFHQ-WDEREUQCSA-N 1 0 391.946 2.056 20 0 GEADRO C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000287270716 532789325 /nfs/dbraw/zinc/78/93/25/532789325.db2.gz IYXFNTIBFZYFTO-VIFPVBQESA-N 1 0 385.313 2.079 20 0 GEADRO C[C@H]([NH2+]CCOc1ccc(I)cc1)c1ccc(=O)[nH]n1 ZINC000287279547 532789629 /nfs/dbraw/zinc/78/96/29/532789629.db2.gz CUUKCJCKXYUAKA-JTQLQIEISA-N 1 0 385.205 2.104 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)NCCCn2cc(Br)cn2)CC1 ZINC000287310686 532790397 /nfs/dbraw/zinc/79/03/97/532790397.db2.gz CQCVWCFFZCKRPN-UHFFFAOYSA-N 1 0 386.338 2.457 20 0 GEADRO Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1Cl ZINC000326857235 532790829 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CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1Cl ZINC000269304979 532780368 /nfs/dbraw/zinc/78/03/68/532780368.db2.gz YTSWVARRNVYEBK-SWLSCSKDSA-N 1 0 387.933 2.180 20 0 GEADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000514245372 532780666 /nfs/dbraw/zinc/78/06/66/532780666.db2.gz WTICZJCYIWOSRM-NEPJUHHUSA-N 1 0 392.315 2.400 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(I)cn2)C1 ZINC000455988161 532781269 /nfs/dbraw/zinc/78/12/69/532781269.db2.gz LSPYMTSUXJPNHH-SMDDNHRTSA-N 1 0 385.249 2.243 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)ccc1Br ZINC000411935181 532781677 /nfs/dbraw/zinc/78/16/77/532781677.db2.gz DHYDLHYYHPIHPN-QWHCGFSZSA-N 1 0 382.302 2.495 20 0 GEADRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1(C)C ZINC000329309918 532805595 /nfs/dbraw/zinc/80/55/95/532805595.db2.gz ZFFBBHJKLQINGL-GJZGRUSLSA-N 1 0 388.555 2.062 20 0 GEADRO O=S(=O)(CC[NH+]1CCCC1)N1CCOc2ccc(Br)cc2C1 ZINC000554913782 532806295 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COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2nnc(SC)s2)cc1 ZINC000287797996 532809725 /nfs/dbraw/zinc/80/97/25/532809725.db2.gz UDCRJJWPJICBEX-ZDUSSCGKSA-N 1 0 381.527 2.371 20 0 GEADRO O=S(=O)(c1ccc(Br)cn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000329669637 532809926 /nfs/dbraw/zinc/80/99/26/532809926.db2.gz RLNHDCLCYBEHHW-AWEZNQCLSA-N 1 0 388.331 2.483 20 0 GEADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287799736 532810047 /nfs/dbraw/zinc/81/00/47/532810047.db2.gz UBIHWMXCYGTCSO-ZFWWWQNUSA-N 1 0 378.416 2.426 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc(Br)cc2)CCCC1 ZINC000549996262 532797257 /nfs/dbraw/zinc/79/72/57/532797257.db2.gz PVCKKZSYHDSPIP-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000550089271 532798009 /nfs/dbraw/zinc/79/80/09/532798009.db2.gz QKPIWCGEDZNDGI-UHFFFAOYSA-N 1 0 383.945 2.491 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc(CSc3nccn3C)o2)C[C@H]1[NH+](C)C ZINC000270468887 532798224 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COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(I)c1 ZINC000551590411 532800724 /nfs/dbraw/zinc/80/07/24/532800724.db2.gz CCPSEVMWNAKBNY-GJZGRUSLSA-N 1 0 391.249 2.201 20 0 GEADRO CC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000551570691 532801057 /nfs/dbraw/zinc/80/10/57/532801057.db2.gz ODNKKVQPAOKVOG-AWEZNQCLSA-N 1 0 376.316 2.430 20 0 GEADRO O=C(C[C@@H]1CSCCS1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270817533 532801662 /nfs/dbraw/zinc/80/16/62/532801662.db2.gz HUOOBXCOJAPGOB-KURKYZTESA-N 1 0 380.579 2.224 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000551942339 532802576 /nfs/dbraw/zinc/80/25/76/532802576.db2.gz DWPOESQRAXWIOZ-LBPRGKRZSA-N 1 0 383.290 2.148 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271033606 532803146 /nfs/dbraw/zinc/80/31/46/532803146.db2.gz IPPJGNDWANWWFT-CYBMUJFWSA-N 1 0 375.296 2.283 20 0 GEADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000329189688 532803676 /nfs/dbraw/zinc/80/36/76/532803676.db2.gz PVEWRECJOHILHH-STQMWFEESA-N 1 0 397.317 2.375 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000271172752 532803801 /nfs/dbraw/zinc/80/38/01/532803801.db2.gz XOMQAWJVQJRIGR-WMLDXEAASA-N 1 0 397.313 2.317 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287895965 532812546 /nfs/dbraw/zinc/81/25/46/532812546.db2.gz NINKGGIMCLPCBR-UHFFFAOYSA-N 1 0 382.302 2.008 20 0 GEADRO CCN1CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000556665058 532811491 /nfs/dbraw/zinc/81/14/91/532811491.db2.gz UZOIRZZFCLCPQN-DZKIICNBSA-N 1 0 375.460 2.436 20 0 GEADRO CCN1CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000556665059 532811781 /nfs/dbraw/zinc/81/17/81/532811781.db2.gz UZOIRZZFCLCPQN-LZWOXQAQSA-N 1 0 375.460 2.436 20 0 GEADRO O=C(NCCc1c(Cl)cccc1Cl)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000556666844 532811790 /nfs/dbraw/zinc/81/17/90/532811790.db2.gz APTPLKLPIWXNRK-CYBMUJFWSA-N 1 0 384.307 2.349 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000413732378 532814098 /nfs/dbraw/zinc/81/40/98/532814098.db2.gz XZTVWBDTNKUVHI-OAHLLOKOSA-N 1 0 384.318 2.404 20 0 GEADRO O=C(Nc1ccncc1Br)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000272485840 532815658 /nfs/dbraw/zinc/81/56/58/532815658.db2.gz AGTPIZMEGTZDFJ-GJZGRUSLSA-N 1 0 383.290 2.343 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1Cl ZINC000272367208 532814602 /nfs/dbraw/zinc/81/46/02/532814602.db2.gz UCGWZVOPZUUNJQ-IINYFYTJSA-N 1 0 386.279 2.493 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000330206069 532815678 /nfs/dbraw/zinc/81/56/78/532815678.db2.gz DWZKYGHZVNTYCV-VXGBXAGGSA-N 1 0 381.889 2.349 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1Br ZINC000272460780 532815984 /nfs/dbraw/zinc/81/59/84/532815984.db2.gz RTGWELCHLARNHT-FZMZJTMJSA-N 1 0 389.315 2.172 20 0 GEADRO C[C@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000272684982 532816764 /nfs/dbraw/zinc/81/67/64/532816764.db2.gz BHCMGXZAPWDDFJ-LBPRGKRZSA-N 1 0 395.301 2.337 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc1Cl ZINC000288088763 532817062 /nfs/dbraw/zinc/81/70/62/532817062.db2.gz HTAHVDUHZJZNQD-JTQLQIEISA-N 1 0 392.283 2.023 20 0 GEADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cncc(Br)c2)CC1 ZINC000330426567 532818568 /nfs/dbraw/zinc/81/85/68/532818568.db2.gz SVFMVHDCEIYPIO-UHFFFAOYSA-N 1 0 376.320 2.244 20 0 GEADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414084537 532818790 /nfs/dbraw/zinc/81/87/90/532818790.db2.gz XUWSYUCCBAXWBN-HOCLYGCPSA-N 1 0 395.297 2.337 20 0 GEADRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000414077877 532818887 /nfs/dbraw/zinc/81/88/87/532818887.db2.gz ZPYGPEQHVXJAPX-ZDUSSCGKSA-N 1 0 384.318 2.236 20 0 GEADRO COc1ccc(C[C@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)cn1 ZINC000414070873 532818923 /nfs/dbraw/zinc/81/89/23/532818923.db2.gz KESVXUBMHFXXIF-ZDUSSCGKSA-N 1 0 383.901 2.243 20 0 GEADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414084539 532818926 /nfs/dbraw/zinc/81/89/26/532818926.db2.gz XUWSYUCCBAXWBN-ZBFHGGJFSA-N 1 0 395.297 2.337 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc([S@@](C)=O)cc1 ZINC000272926428 532819776 /nfs/dbraw/zinc/81/97/76/532819776.db2.gz JMYNJEIIWNHBFT-XQNYSFAXSA-N 1 0 381.519 2.212 20 0 GEADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414192724 532820178 /nfs/dbraw/zinc/82/01/78/532820178.db2.gz SWVUUNMMFWPUCB-UKRRQHHQSA-N 1 0 395.297 2.374 20 0 GEADRO COc1ccc([C@H]([NH2+]C[C@H](O)Cn2ccnn2)C(C)C)c(Br)c1 ZINC000414198880 532820311 /nfs/dbraw/zinc/82/03/11/532820311.db2.gz WPXXBLATHVDCEC-BLLLJJGKSA-N 1 0 383.290 2.397 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cnn2cc(Br)cnc12 ZINC000288182104 532820419 /nfs/dbraw/zinc/82/04/19/532820419.db2.gz BPPHPYXKNHUNOL-YPMHNXCESA-N 1 0 378.274 2.191 20 0 GEADRO COCCNC(=O)C1([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000414212458 532820485 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Cc1cnccc1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414365180 532822347 /nfs/dbraw/zinc/82/23/47/532822347.db2.gz KGSOJMAZNKIFMA-UHFFFAOYSA-N 1 0 384.299 2.132 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1Br ZINC000414384969 532823786 /nfs/dbraw/zinc/82/37/86/532823786.db2.gz WCXYGFCDRXEFMN-YUTCNCBUSA-N 1 0 389.315 2.144 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414371234 532822899 /nfs/dbraw/zinc/82/28/99/532822899.db2.gz WJMNRXVTCMFGFF-CHWSQXEVSA-N 1 0 390.347 2.059 20 0 GEADRO C[C@@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCS1 ZINC000414384143 532823576 /nfs/dbraw/zinc/82/35/76/532823576.db2.gz VAEVZNHWZXVHGO-ZDUSSCGKSA-N 1 0 379.345 2.472 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnc(NC(C)=O)s2)C1 ZINC000330661356 532824393 /nfs/dbraw/zinc/82/43/93/532824393.db2.gz CDCHVCAYZPAEQN-ZDUSSCGKSA-N 1 0 388.559 2.280 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)CC2CCCCC2)cc1Cl ZINC000414395324 532824469 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C[C@H](C[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1)CC(F)(F)F ZINC000414522709 532831458 /nfs/dbraw/zinc/83/14/58/532831458.db2.gz DKBLEOQRONANNG-ZDUSSCGKSA-N 1 0 380.432 2.386 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(OC)ccc2Br)C1 ZINC000330988109 532831612 /nfs/dbraw/zinc/83/16/12/532831612.db2.gz GTIIHVGQEUZMCP-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO COc1sc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Br ZINC000331008968 532831843 /nfs/dbraw/zinc/83/18/43/532831843.db2.gz MNTURIDNDDBSPO-VXGBXAGGSA-N 1 0 397.360 2.469 20 0 GEADRO COc1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1O ZINC000273709923 532832259 /nfs/dbraw/zinc/83/22/59/532832259.db2.gz FZOLMXHKXMNMNB-ZDUSSCGKSA-N 1 0 385.302 2.317 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000288597335 532832497 /nfs/dbraw/zinc/83/24/97/532832497.db2.gz KEMICLUMFQPZRC-KBPBESRZSA-N 1 0 399.285 2.402 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1[NH+](C)C ZINC000273727046 532832624 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[NH3+][C@@H]1CCN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000414737681 532834960 /nfs/dbraw/zinc/83/49/60/532834960.db2.gz YQSLWSYWHYEMOM-GFCCVEGCSA-N 1 0 386.905 2.080 20 0 GEADRO [NH3+]CCN(CCO)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000414728866 532834961 /nfs/dbraw/zinc/83/49/61/532834961.db2.gz DGCDSCYUJRADIZ-UHFFFAOYSA-N 1 0 399.314 2.281 20 0 GEADRO CC(C)(C)[NH2+]CCN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000414742240 532834975 /nfs/dbraw/zinc/83/49/75/532834975.db2.gz TVCUVWCXDKTPNP-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1cc(Br)ccc1Br ZINC000414785707 532835405 /nfs/dbraw/zinc/83/54/05/532835405.db2.gz VYPMKQVTKNJKFX-SECBINFHSA-N 1 0 393.079 2.322 20 0 GEADRO C[NH2+]CCNC(=O)Nc1cc(Br)ccc1I ZINC000415034482 532836730 /nfs/dbraw/zinc/83/67/30/532836730.db2.gz JSFCBBAKCIWMDD-UHFFFAOYSA-N 1 0 398.042 2.395 20 0 GEADRO CC1(CO)CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000331279591 532836779 /nfs/dbraw/zinc/83/67/79/532836779.db2.gz ZUMPAGZMPFMFKW-CQSZACIVSA-N 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BOMHIKYXGDVBLW-SNVBAGLBSA-N 1 0 381.164 2.428 20 0 GEADRO COc1cc(Br)cc(NC(=O)N2CCC([N@H+](C)CCO)CC2)c1 ZINC000273962011 532838375 /nfs/dbraw/zinc/83/83/75/532838375.db2.gz IPRVXICTOOQCIJ-UHFFFAOYSA-N 1 0 386.290 2.378 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000288805600 532838575 /nfs/dbraw/zinc/83/85/75/532838575.db2.gz SDMNTDHVXKEXJW-GWCFXTLKSA-N 1 0 389.315 2.326 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1cncc(Br)c1 ZINC000288792076 532838665 /nfs/dbraw/zinc/83/86/65/532838665.db2.gz XYJJMHRHEQUPIX-UHFFFAOYSA-N 1 0 393.285 2.500 20 0 GEADRO COc1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(Br)c1O ZINC000415134297 532838672 /nfs/dbraw/zinc/83/86/72/532838672.db2.gz VXGJUHFNVACHKZ-ZDUSSCGKSA-N 1 0 396.289 2.051 20 0 GEADRO COc1c(Br)cccc1CN1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415127456 532838799 /nfs/dbraw/zinc/83/87/99/532838799.db2.gz NDZYQEXVSWVSHT-CQSZACIVSA-N 1 0 380.290 2.345 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331427355 532839228 /nfs/dbraw/zinc/83/92/28/532839228.db2.gz ANBRTICVTMYLJW-INIZCTEOSA-N 1 0 384.249 2.129 20 0 GEADRO Cn1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(C(F)(F)F)n1 ZINC000331430498 532839274 /nfs/dbraw/zinc/83/92/74/532839274.db2.gz MDALOXKLMQRGGZ-GFCCVEGCSA-N 1 0 380.436 2.078 20 0 GEADRO CC(C)(C)c1cnc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000415225141 532839346 /nfs/dbraw/zinc/83/93/46/532839346.db2.gz UILXWJRKZRNOLZ-JTQLQIEISA-N 1 0 379.452 2.398 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000331420500 532839404 /nfs/dbraw/zinc/83/94/04/532839404.db2.gz ATZGKYUANUZYAL-BMIGLBTASA-N 1 0 389.315 2.219 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415236401 532839546 /nfs/dbraw/zinc/83/95/46/532839546.db2.gz FOXNEOXLXGOOHZ-SSDOTTSWSA-N 1 0 381.164 2.382 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000288826648 532839583 /nfs/dbraw/zinc/83/95/83/532839583.db2.gz USEZZUPEHOXNKC-CQSZACIVSA-N 1 0 383.286 2.220 20 0 GEADRO O=C(Nc1cc(F)c(F)cc1I)NC1CC[NH2+]CC1 ZINC000415244922 532839798 /nfs/dbraw/zinc/83/97/98/532839798.db2.gz YRTABBLVNJZHNP-UHFFFAOYSA-N 1 0 381.164 2.443 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1cc(I)ccc1Cl ZINC000415270734 532839808 /nfs/dbraw/zinc/83/98/08/532839808.db2.gz QPICPPWLLBIUQL-VIFPVBQESA-N 1 0 395.628 2.055 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N(CC[NH3+])CCc2ccccc2)c1=O ZINC000415247344 532840056 /nfs/dbraw/zinc/84/00/56/532840056.db2.gz AXCSWBQLPVCKCO-UHFFFAOYSA-N 1 0 393.285 2.183 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415275208 532840199 /nfs/dbraw/zinc/84/01/99/532840199.db2.gz AWZXRTLPBFYGGP-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO CS[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000331557802 532841082 /nfs/dbraw/zinc/84/10/82/532841082.db2.gz ODEFDYBDXGPPKR-CABCVRRESA-N 1 0 385.892 2.456 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415340054 532841635 /nfs/dbraw/zinc/84/16/35/532841635.db2.gz ZLBRKWQCWWAPSZ-GWCFXTLKSA-N 1 0 382.258 2.451 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)ccc1Br ZINC000331601811 532841738 /nfs/dbraw/zinc/84/17/38/532841738.db2.gz VIQFEHRYFPYZPV-WQVCFCJDSA-N 1 0 394.313 2.227 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415337852 532841765 /nfs/dbraw/zinc/84/17/65/532841765.db2.gz VFNFQTYIXYJNTE-SNVBAGLBSA-N 1 0 380.189 2.340 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415349496 532842109 /nfs/dbraw/zinc/84/21/09/532842109.db2.gz XNIFDFTWMOXPFP-QMMMGPOBSA-N 1 0 394.191 2.227 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415344719 532842139 /nfs/dbraw/zinc/84/21/39/532842139.db2.gz FDOPQYJTEGZVIU-VXGBXAGGSA-N 1 0 398.301 2.209 20 0 GEADRO C[NH+]1CCC(NC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000047886379 209108058 /nfs/dbraw/zinc/10/80/58/209108058.db2.gz JPYBLCMUBRASDV-UHFFFAOYSA-N 1 0 385.434 2.463 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000415351508 532842376 /nfs/dbraw/zinc/84/23/76/532842376.db2.gz JGRMCPIVOIAZTF-NXEZZACHSA-N 1 0 375.803 2.384 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331677119 532842432 /nfs/dbraw/zinc/84/24/32/532842432.db2.gz ZSHTXGQMSKSGBM-MRXNPFEDSA-N 1 0 384.249 2.129 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(Br)c1F)[C@H]1CCC[NH2+]C1 ZINC000415361276 532842655 /nfs/dbraw/zinc/84/26/55/532842655.db2.gz UBYNPUDOYVSJJS-BDAKNGLRSA-N 1 0 390.228 2.170 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000415353373 532842758 /nfs/dbraw/zinc/84/27/58/532842758.db2.gz LQKJTLWOYWXXPX-ZJUUUORDSA-N 1 0 375.803 2.384 20 0 GEADRO [NH3+]CCN(CCO)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415367793 532843028 /nfs/dbraw/zinc/84/30/28/532843028.db2.gz YVRUIWPNBRMJRX-UHFFFAOYSA-N 1 0 386.168 2.133 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415380476 532843090 /nfs/dbraw/zinc/84/30/90/532843090.db2.gz LUCJNYNVCFYZRF-UHFFFAOYSA-N 1 0 392.681 2.293 20 0 GEADRO O=C(NCC1CC[NH+](CCO)CC1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000331689418 532843070 /nfs/dbraw/zinc/84/30/70/532843070.db2.gz BABRQOXDJXBCJL-AWEZNQCLSA-N 1 0 388.295 2.430 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC3([C@H](O)C(C)C)CC3)CC2)cc1 ZINC000359900973 206269079 /nfs/dbraw/zinc/26/90/79/206269079.db2.gz PUUFGQUPCFJGOP-LJQANCHMSA-N 1 0 396.553 2.235 20 0 GEADRO NC(=O)NCc1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000359938475 206272463 /nfs/dbraw/zinc/27/24/63/206272463.db2.gz VEEZXSWGKDLNST-LJQANCHMSA-N 1 0 380.492 2.149 20 0 GEADRO CCC[N@@H+]1CCCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC1 ZINC000359959526 206273272 /nfs/dbraw/zinc/27/32/72/206273272.db2.gz WOYODSAXOLQRGX-UHFFFAOYSA-N 1 0 382.390 2.239 20 0 GEADRO C[C@]1([NH2+]CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CCO[C@@H]1C1CC1 ZINC000359960495 206274185 /nfs/dbraw/zinc/27/41/85/206274185.db2.gz PHEBKKWRRZNTLU-IRLDBZIGSA-N 1 0 391.556 2.221 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415383537 532843632 /nfs/dbraw/zinc/84/36/32/532843632.db2.gz TTWFRYAYYQPGCC-SNVBAGLBSA-N 1 0 394.191 2.275 20 0 GEADRO Cn1cc([C@H](O)CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000359999524 206278202 /nfs/dbraw/zinc/27/82/02/206278202.db2.gz ZLTSRICZOOQELF-OYNPSCLESA-N 1 0 397.523 2.053 20 0 GEADRO COC(=O)CCCN1CCC([NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000274182523 532843647 /nfs/dbraw/zinc/84/36/47/532843647.db2.gz GCMNGBAJSXBNPE-QGZVFWFLSA-N 1 0 399.329 2.490 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415400278 532843788 /nfs/dbraw/zinc/84/37/88/532843788.db2.gz VUVVANQSESRUPV-QMMMGPOBSA-N 1 0 392.656 2.248 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000415398708 532843839 /nfs/dbraw/zinc/84/38/39/532843839.db2.gz KZLVDCRHZSUFIE-UHFFFAOYSA-N 1 0 388.693 2.499 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000415395343 532844132 /nfs/dbraw/zinc/84/41/32/532844132.db2.gz FJPRZVGTORHYCJ-UHFFFAOYSA-N 1 0 382.302 2.462 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(C)c(Br)cc1F)[C@H]1CC[NH2+]C1 ZINC000415393264 532844175 /nfs/dbraw/zinc/84/41/75/532844175.db2.gz OYLDJFBBFRQKFP-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415409424 532844228 /nfs/dbraw/zinc/84/42/28/532844228.db2.gz DHGZPSFVUSKBNA-SSDOTTSWSA-N 1 0 380.645 2.152 20 0 GEADRO Cn1nccc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000274211699 532844380 /nfs/dbraw/zinc/84/43/80/532844380.db2.gz VOCYXQGFJVIMDE-UHFFFAOYSA-N 1 0 382.917 2.264 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[C@H]1[NH3+] ZINC000415426931 532844735 /nfs/dbraw/zinc/84/47/35/532844735.db2.gz BDVCKXZIVQVEBT-RDDDGLTNSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C[C@H]1C[NH3+] ZINC000415427737 532844684 /nfs/dbraw/zinc/84/46/84/532844684.db2.gz GIHNHWNJSUMXSI-WDEREUQCSA-N 1 0 375.441 2.476 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415429839 532844746 /nfs/dbraw/zinc/84/47/46/532844746.db2.gz QFESEYYRGMVYPG-QMMMGPOBSA-N 1 0 378.217 2.155 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000415428268 532845127 /nfs/dbraw/zinc/84/51/27/532845127.db2.gz QFHHDSVYNQPTNR-HNNXBMFYSA-N 1 0 398.301 2.420 20 0 GEADRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1nnnn1-c1ccccc1Br ZINC000331832525 532845384 /nfs/dbraw/zinc/84/53/84/532845384.db2.gz BLHHOQAQUCCLQS-OAHLLOKOSA-N 1 0 379.306 2.197 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415437319 532845407 /nfs/dbraw/zinc/84/54/07/532845407.db2.gz ZLEKYJIKAQKPPX-NSHDSACASA-N 1 0 377.819 2.412 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415437547 532845584 /nfs/dbraw/zinc/84/55/84/532845584.db2.gz KOBWUUCRJKCVHE-NEPJUHHUSA-N 1 0 398.301 2.372 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415433334 532845604 /nfs/dbraw/zinc/84/56/04/532845604.db2.gz XAIOUQQUNUWLDL-AWEZNQCLSA-N 1 0 398.301 2.420 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415448456 532845788 /nfs/dbraw/zinc/84/57/88/532845788.db2.gz QNQNXLMUAAXINB-PWSUYJOCSA-N 1 0 395.301 2.246 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415445570 532845875 /nfs/dbraw/zinc/84/58/75/532845875.db2.gz SISOIAIYEOMEMN-CYBMUJFWSA-N 1 0 397.317 2.087 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415457239 532846530 /nfs/dbraw/zinc/84/65/30/532846530.db2.gz XDCAGXQUOCDXGJ-UHFFFAOYSA-N 1 0 380.286 2.378 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415483781 532846759 /nfs/dbraw/zinc/84/67/59/532846759.db2.gz HDOMTTRHQFMGTR-UHFFFAOYSA-N 1 0 393.285 2.379 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415485937 532846806 /nfs/dbraw/zinc/84/68/06/532846806.db2.gz DRKSTKJLHGPBMD-QMMMGPOBSA-N 1 0 392.656 2.391 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc1Br ZINC000415485278 532846878 /nfs/dbraw/zinc/84/68/78/532846878.db2.gz JLQRQYBECXFMEP-ZDUSSCGKSA-N 1 0 386.290 2.228 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000415455686 532846329 /nfs/dbraw/zinc/84/63/29/532846329.db2.gz PQZKVNNIZZQVJG-GFCCVEGCSA-N 1 0 375.416 2.441 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415494323 532847295 /nfs/dbraw/zinc/84/72/95/532847295.db2.gz ZGLDDQBHHMPMIX-QWRGUYRKSA-N 1 0 379.262 2.231 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1OCC ZINC000415494819 532847314 /nfs/dbraw/zinc/84/73/14/532847314.db2.gz IKRQEZHFPSLACT-LBPRGKRZSA-N 1 0 386.290 2.420 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000289097870 532847378 /nfs/dbraw/zinc/84/73/78/532847378.db2.gz IWQKUMGZRPZLMP-UHFFFAOYSA-N 1 0 395.301 2.358 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000415492645 532847498 /nfs/dbraw/zinc/84/74/98/532847498.db2.gz FYLOYCBUJUINJF-UHFFFAOYSA-N 1 0 398.301 2.052 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)c1Br ZINC000415495395 532847731 /nfs/dbraw/zinc/84/77/31/532847731.db2.gz JDQJXYBDANERKO-UHFFFAOYSA-N 1 0 398.301 2.052 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415500208 532847851 /nfs/dbraw/zinc/84/78/51/532847851.db2.gz PVWCRAMAAAYKCK-LLVKDONJSA-N 1 0 383.290 2.294 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)ccc1Br ZINC000415495774 532847880 /nfs/dbraw/zinc/84/78/80/532847880.db2.gz JVGBLEHPQOUIKG-UHFFFAOYSA-N 1 0 398.301 2.052 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415496150 532847913 /nfs/dbraw/zinc/84/79/13/532847913.db2.gz GFBPMRIDKSTPQD-LBPRGKRZSA-N 1 0 386.290 2.228 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415513835 532848277 /nfs/dbraw/zinc/84/82/77/532848277.db2.gz BEAPCFKQBOXORX-VXGBXAGGSA-N 1 0 398.301 2.371 20 0 GEADRO Cc1ccc(I)cc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415507270 532848322 /nfs/dbraw/zinc/84/83/22/532848322.db2.gz MSXJIXHDCMHBQP-GFCCVEGCSA-N 1 0 389.237 2.100 20 0 GEADRO Cc1ccc(I)cc1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415507886 532848410 /nfs/dbraw/zinc/84/84/10/532848410.db2.gz OZDGLUQRIZJOSD-GFCCVEGCSA-N 1 0 389.237 2.181 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415517235 532848473 /nfs/dbraw/zinc/84/84/73/532848473.db2.gz KVCGVUOMOKCFCW-CQSZACIVSA-N 1 0 380.286 2.378 20 0 GEADRO C[NH2+]CCNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415529643 532848724 /nfs/dbraw/zinc/84/87/24/532848724.db2.gz PQPKWSGTJOQEQO-UHFFFAOYSA-N 1 0 376.223 2.242 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000415531471 532848732 /nfs/dbraw/zinc/84/87/32/532848732.db2.gz VBQAETSQFUIPTC-NWDGAFQWSA-N 1 0 398.301 2.371 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CCO1 ZINC000415525711 532848972 /nfs/dbraw/zinc/84/89/72/532848972.db2.gz WVRVPUKJBBHCNT-LBPRGKRZSA-N 1 0 384.267 2.430 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415530793 532848997 /nfs/dbraw/zinc/84/89/97/532848997.db2.gz XZFQJOKTGRCVIR-HNNXBMFYSA-N 1 0 380.286 2.378 20 0 GEADRO CCOc1ccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000415538178 532849235 /nfs/dbraw/zinc/84/92/35/532849235.db2.gz RCWMTULWHCXLRN-CQSZACIVSA-N 1 0 397.317 2.359 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000415537276 532849372 /nfs/dbraw/zinc/84/93/72/532849372.db2.gz ZSXHDALUUDACDJ-UHFFFAOYSA-N 1 0 376.682 2.465 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)C1CC1 ZINC000415534743 532849580 /nfs/dbraw/zinc/84/95/80/532849580.db2.gz BPHKUNNUHQLKTQ-SNVBAGLBSA-N 1 0 378.629 2.034 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1CC1 ZINC000415541787 532849600 /nfs/dbraw/zinc/84/96/00/532849600.db2.gz SIWWSBAWCITXGZ-SNVBAGLBSA-N 1 0 379.766 2.073 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000415551407 532849722 /nfs/dbraw/zinc/84/97/22/532849722.db2.gz LNVOUPPLLZNHPZ-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CCC1 ZINC000415553675 532849742 /nfs/dbraw/zinc/84/97/42/532849742.db2.gz CBUFOGZDAAEULM-UHFFFAOYSA-N 1 0 394.191 2.404 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c(F)cc1Br ZINC000415559596 532850018 /nfs/dbraw/zinc/85/00/18/532850018.db2.gz SRZCQDXVIFCTBE-UHFFFAOYSA-N 1 0 398.276 2.437 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415560821 532850289 /nfs/dbraw/zinc/85/02/89/532850289.db2.gz VPBCPNKZWPNRPP-SSDOTTSWSA-N 1 0 398.179 2.140 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000274466029 532850488 /nfs/dbraw/zinc/85/04/88/532850488.db2.gz YCVQLGUKJPHAJF-UHFFFAOYSA-N 1 0 394.299 2.454 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415567646 532850542 /nfs/dbraw/zinc/85/05/42/532850542.db2.gz NQUFSPYTILTWTD-UHFFFAOYSA-N 1 0 393.079 2.005 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)[C@H](C)C[NH2+]1 ZINC000415564798 532850331 /nfs/dbraw/zinc/85/03/31/532850331.db2.gz OIJKJVAANFKIMH-NXEZZACHSA-N 1 0 375.803 2.131 20 0 GEADRO C[C@]1(CNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCC[NH2+]C1 ZINC000415574419 532850903 /nfs/dbraw/zinc/85/09/03/532850903.db2.gz RMKQGVZDEXHORC-KRWDZBQOSA-N 1 0 395.301 2.166 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1Br ZINC000415616557 532851253 /nfs/dbraw/zinc/85/12/53/532851253.db2.gz UCZQQPPUUIFJDW-INIZCTEOSA-N 1 0 382.258 2.453 20 0 GEADRO COC(=O)c1cc(NC(=O)NC[C@@H]([NH3+])C(C)C)cc(Br)c1F ZINC000415613074 532851334 /nfs/dbraw/zinc/85/13/34/532851334.db2.gz MHLAFRDYHGRTNI-LLVKDONJSA-N 1 0 376.226 2.480 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415617370 532851339 /nfs/dbraw/zinc/85/13/39/532851339.db2.gz FITHFACXFMPYFX-IINYFYTJSA-N 1 0 391.269 2.050 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415635092 532851633 /nfs/dbraw/zinc/85/16/33/532851633.db2.gz AZJLBJHVVQXUAG-VXGBXAGGSA-N 1 0 384.274 2.091 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000415642536 532851821 /nfs/dbraw/zinc/85/18/21/532851821.db2.gz HRPNDXPHNGJVKI-QWRGUYRKSA-N 1 0 384.274 2.172 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415633352 532851904 /nfs/dbraw/zinc/85/19/04/532851904.db2.gz QPZYMDBLLCACJW-TXEJJXNPSA-N 1 0 396.285 2.058 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415639876 532851948 /nfs/dbraw/zinc/85/19/48/532851948.db2.gz DDMCABDFPXPZBS-GHMZBOCLSA-N 1 0 391.269 2.322 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415657755 532852067 /nfs/dbraw/zinc/85/20/67/532852067.db2.gz QOSQIVXFOOQHEY-GXSJLCMTSA-N 1 0 375.416 2.236 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415653823 532852189 /nfs/dbraw/zinc/85/21/89/532852189.db2.gz RYPXGMHOFYAZLI-NXEZZACHSA-N 1 0 381.889 2.127 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415645817 532852217 /nfs/dbraw/zinc/85/22/17/532852217.db2.gz LZFTZRJEXAKSMC-RKDXNWHRSA-N 1 0 388.251 2.105 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274585224 532852225 /nfs/dbraw/zinc/85/22/25/532852225.db2.gz JFLOYVJUNZIVCY-UHFFFAOYSA-N 1 0 391.697 2.284 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415655303 532852294 /nfs/dbraw/zinc/85/22/94/532852294.db2.gz JJVPJBYXNTYKCE-GFCCVEGCSA-N 1 0 397.317 2.102 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000289320483 532852397 /nfs/dbraw/zinc/85/23/97/532852397.db2.gz XBZMJSZAALLTCC-SNVBAGLBSA-N 1 0 380.436 2.138 20 0 GEADRO O=C(/C=C/c1ccc(I)o1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289335616 532852440 /nfs/dbraw/zinc/85/24/40/532852440.db2.gz WFPOFFGFHTVNJX-SJDLMVEWSA-N 1 0 386.233 2.500 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000332348721 532852465 /nfs/dbraw/zinc/85/24/65/532852465.db2.gz OIXHANRVSZOGSX-OBJOEFQTSA-N 1 0 380.286 2.282 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1cc(C(F)(F)F)ccc1Br ZINC000415661199 532852504 /nfs/dbraw/zinc/85/25/04/532852504.db2.gz UESSSLKIVOVURM-UHFFFAOYSA-N 1 0 395.223 2.495 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415662683 532852689 /nfs/dbraw/zinc/85/26/89/532852689.db2.gz XJQSBVYWWMGMBX-SNVBAGLBSA-N 1 0 379.258 2.050 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000332358410 532852732 /nfs/dbraw/zinc/85/27/32/532852732.db2.gz QDRXDWLHJKOCEU-COPLHBTASA-N 1 0 398.276 2.421 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415666358 532853134 /nfs/dbraw/zinc/85/31/34/532853134.db2.gz WDJQBWIWXRSLOB-JQWIXIFHSA-N 1 0 384.274 2.043 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415667682 532853203 /nfs/dbraw/zinc/85/32/03/532853203.db2.gz YLJKETHEIZWQQM-WCBMZHEXSA-N 1 0 379.766 2.291 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)CC[N@@H+]1C ZINC000332365254 532853283 /nfs/dbraw/zinc/85/32/83/532853283.db2.gz DLQKKGRTSHMFIH-JSGCOSHPSA-N 1 0 384.322 2.475 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415680128 532853647 /nfs/dbraw/zinc/85/36/47/532853647.db2.gz QQPUQIZCUKKOKN-LBPRGKRZSA-N 1 0 398.301 2.374 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000332389765 532854137 /nfs/dbraw/zinc/85/41/37/532854137.db2.gz WXRYTRNLHCSMCF-OBJOEFQTSA-N 1 0 380.286 2.282 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)C[C@@H]21 ZINC000332399589 532854644 /nfs/dbraw/zinc/85/46/44/532854644.db2.gz ZQQFEMZIQTYCOC-OLUVUFQESA-N 1 0 384.249 2.113 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1F ZINC000332388162 532854231 /nfs/dbraw/zinc/85/42/31/532854231.db2.gz WOEBLHLFDFDPQW-GMXVVIOVSA-N 1 0 398.276 2.421 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCn1cncn1 ZINC000274686055 532854338 /nfs/dbraw/zinc/85/43/38/532854338.db2.gz SVSSEYGAGHSLIK-UHFFFAOYSA-N 1 0 375.068 2.175 20 0 GEADRO O=c1nc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)[nH][nH]1 ZINC000289440816 532855065 /nfs/dbraw/zinc/85/50/65/532855065.db2.gz OJZPVTPOUCPARA-CMPLNLGQSA-N 1 0 387.267 2.024 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415728123 532854903 /nfs/dbraw/zinc/85/49/03/532854903.db2.gz RJTXTEGUMYMOQY-SECBINFHSA-N 1 0 386.246 2.118 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415731417 532854904 /nfs/dbraw/zinc/85/49/04/532854904.db2.gz VNLGYOZEJAGEPB-LLVKDONJSA-N 1 0 388.262 2.349 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415731334 532855134 /nfs/dbraw/zinc/85/51/34/532855134.db2.gz VCVDXPSSVOIKOS-JQWIXIFHSA-N 1 0 384.274 2.123 20 0 GEADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415740318 532855199 /nfs/dbraw/zinc/85/51/99/532855199.db2.gz GWERUIISMYNTGI-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000415741825 532855561 /nfs/dbraw/zinc/85/55/61/532855561.db2.gz LTIVBNUSWJWVMU-VIFPVBQESA-N 1 0 390.267 2.352 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000415747214 532855573 /nfs/dbraw/zinc/85/55/73/532855573.db2.gz WGHYJAMOSQRWJM-NSHDSACASA-N 1 0 386.290 2.338 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)C1C[NH2+]C1 ZINC000415749332 532855635 /nfs/dbraw/zinc/85/56/35/532855635.db2.gz ZELGYEJMQLZPPJ-UHFFFAOYSA-N 1 0 381.807 2.363 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2I)CCO1 ZINC000415753351 532855884 /nfs/dbraw/zinc/85/58/84/532855884.db2.gz GAFHTRAEDQUSPO-SECBINFHSA-N 1 0 395.628 2.136 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000415759291 532855907 /nfs/dbraw/zinc/85/59/07/532855907.db2.gz LBTDVJGCIWZIPM-UHFFFAOYSA-N 1 0 383.905 2.374 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415758876 532855927 /nfs/dbraw/zinc/85/59/27/532855927.db2.gz PISMHPNAYGTCAH-MRXNPFEDSA-N 1 0 378.274 2.837 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415754486 532855949 /nfs/dbraw/zinc/85/59/49/532855949.db2.gz ZNRKUDGJQIBXDP-ZJUUUORDSA-N 1 0 386.677 2.109 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415760631 532855964 /nfs/dbraw/zinc/85/59/64/532855964.db2.gz KOXBOGHONGULCD-ZDUSSCGKSA-N 1 0 380.286 2.236 20 0 GEADRO C[C@](C[NH3+])(NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000415755738 532855968 /nfs/dbraw/zinc/85/59/68/532855968.db2.gz KLQJDMAPXVFBQG-MRXNPFEDSA-N 1 0 378.274 2.884 20 0 GEADRO [NH3+]C1CCC(NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000415754827 532855977 /nfs/dbraw/zinc/85/59/77/532855977.db2.gz IUVFOMVCISQDCC-UHFFFAOYSA-N 1 0 378.274 3.026 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415752420 532856096 /nfs/dbraw/zinc/85/60/96/532856096.db2.gz XHBBMDWKONOJBQ-SNVBAGLBSA-N 1 0 389.269 2.012 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415768625 532856370 /nfs/dbraw/zinc/85/63/70/532856370.db2.gz YXBQELRRYKMMPA-UHFFFAOYSA-N 1 0 378.217 2.300 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415772958 532856820 /nfs/dbraw/zinc/85/68/20/532856820.db2.gz LMYDJFZHXNHPPN-GXSJLCMTSA-N 1 0 389.237 2.419 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415780021 532856945 /nfs/dbraw/zinc/85/69/45/532856945.db2.gz HZQZWDIDAISOCG-RNFRBKRXSA-N 1 0 398.179 2.138 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415789183 532857144 /nfs/dbraw/zinc/85/71/44/532857144.db2.gz PHDXGMWDFSYJEA-QMMMGPOBSA-N 1 0 382.180 2.260 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)C(F)F ZINC000415789882 532857247 /nfs/dbraw/zinc/85/72/47/532857247.db2.gz OTMWBWFSGDUMRZ-SECBINFHSA-N 1 0 384.608 2.140 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C(F)F ZINC000415789860 532857427 /nfs/dbraw/zinc/85/74/27/532857427.db2.gz OPBQSVZQJOTRPR-SSDOTTSWSA-N 1 0 389.708 2.276 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000415780166 532857083 /nfs/dbraw/zinc/85/70/83/532857083.db2.gz KCZJFEUHOPHUEP-GFCCVEGCSA-N 1 0 384.933 2.075 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415797685 532857732 /nfs/dbraw/zinc/85/77/32/532857732.db2.gz ALEQCBSAGBNMJX-NEPJUHHUSA-N 1 0 398.301 2.338 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000289531069 532857689 /nfs/dbraw/zinc/85/76/89/532857689.db2.gz MZJBXSFBLJFUGL-UHFFFAOYSA-N 1 0 389.725 2.255 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000415798019 532857678 /nfs/dbraw/zinc/85/76/78/532857678.db2.gz AWMNUSFLZRMSLE-QWRGUYRKSA-N 1 0 384.274 2.030 20 0 GEADRO C[C@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)[C@H]1[NH3+] ZINC000332600550 532858098 /nfs/dbraw/zinc/85/80/98/532858098.db2.gz NFIDWDCOBBRCEW-DINDLPBHSA-N 1 0 383.286 2.347 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000415804831 532858281 /nfs/dbraw/zinc/85/82/81/532858281.db2.gz MKAOIPBLDYCBJY-NSHDSACASA-N 1 0 384.274 2.045 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415807906 532858326 /nfs/dbraw/zinc/85/83/26/532858326.db2.gz NQAIZOIUBYKTTE-HTQZYQBOSA-N 1 0 392.681 2.292 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000415823690 532858733 /nfs/dbraw/zinc/85/87/33/532858733.db2.gz RFSWHQODOVXQSJ-AWEZNQCLSA-N 1 0 398.301 2.420 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000415818540 532858753 /nfs/dbraw/zinc/85/87/53/532858753.db2.gz WLPKCCIDQXBYRC-GHMZBOCLSA-N 1 0 384.274 2.030 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415826364 532858842 /nfs/dbraw/zinc/85/88/42/532858842.db2.gz BGIMETHRYLOYGI-JGVFFNPUSA-N 1 0 392.656 2.424 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)C1CCCC1 ZINC000415824534 532858897 /nfs/dbraw/zinc/85/88/97/532858897.db2.gz WARDJWFBLUBTAP-CYBMUJFWSA-N 1 0 395.301 2.294 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415803656 532858400 /nfs/dbraw/zinc/85/84/00/532858400.db2.gz HHRSCOLJMJRZEH-WDEREUQCSA-N 1 0 386.265 2.469 20 0 GEADRO O=C(CC[N@@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc(Br)cc1F ZINC000274880980 532858458 /nfs/dbraw/zinc/85/84/58/532858458.db2.gz NHEKITXODALXES-UHFFFAOYSA-N 1 0 395.232 2.058 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CC1 ZINC000332621984 532858592 /nfs/dbraw/zinc/85/85/92/532858592.db2.gz SRXCJNZMLQTHAT-NSHDSACASA-N 1 0 384.307 2.464 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415834543 532859389 /nfs/dbraw/zinc/85/93/89/532859389.db2.gz APFQOZWRDVOLHI-RYUDHWBXSA-N 1 0 398.301 2.230 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000415833823 532859411 /nfs/dbraw/zinc/85/94/11/532859411.db2.gz ACXFDFAMCGKUQR-NWDGAFQWSA-N 1 0 398.301 2.230 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415837672 532859786 /nfs/dbraw/zinc/85/97/86/532859786.db2.gz NJVZNEKWEYMKMR-YUMQZZPRSA-N 1 0 392.656 2.424 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C[C@@H]1C[NH3+] ZINC000415837986 532859874 /nfs/dbraw/zinc/85/98/74/532859874.db2.gz DACBPTFDIANGBD-UWVGGRQHSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C1CCCC1 ZINC000415837479 532859940 /nfs/dbraw/zinc/85/99/40/532859940.db2.gz KSAKDEUJBPTNBR-LBPRGKRZSA-N 1 0 390.228 2.300 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C[C@@]1(C)C[NH3+] ZINC000415844575 532860084 /nfs/dbraw/zinc/86/00/84/532860084.db2.gz UOJLAEMMSUTTLK-ANRSDYALSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C[C@H]1C[NH3+] ZINC000415844541 532860146 /nfs/dbraw/zinc/86/01/46/532860146.db2.gz JCGQWCZKOSRBCV-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO CC1(C)CCCc2sc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)nc21 ZINC000415847486 532860200 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391.273 2.103 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)nnn1-c1cccc(Br)c1 ZINC000289853129 532866357 /nfs/dbraw/zinc/86/63/57/532866357.db2.gz CHLFYKOSHWXTKS-OLZOCXBDSA-N 1 0 390.285 2.020 20 0 GEADRO C[C@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C[C@H]1[NH3+] ZINC000333286605 532866456 /nfs/dbraw/zinc/86/64/56/532866456.db2.gz ILDAEGZLDHJCFK-DTWKUNHWSA-N 1 0 382.287 2.779 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000289837818 532866182 /nfs/dbraw/zinc/86/61/82/532866182.db2.gz DZVDZQGVEKDNOC-MNOVXSKESA-N 1 0 378.279 2.400 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000333353364 532867479 /nfs/dbraw/zinc/86/74/79/532867479.db2.gz RSPHYPKUCQOZEQ-GFCCVEGCSA-N 1 0 398.305 2.026 20 0 GEADRO O=C(N1CCNC(=O)c2ccc(Br)cc21)C12CCC[NH+]1CCC2 ZINC000333363860 532867514 /nfs/dbraw/zinc/86/75/14/532867514.db2.gz HULQKLDPEAQWAE-UHFFFAOYSA-N 1 0 378.270 2.154 20 0 GEADRO [NH3+]C1CCC(NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC1 ZINC000333362574 532867358 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O=C(NCC1=CC[NH2+]CC1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000275191791 532868167 /nfs/dbraw/zinc/86/81/67/532868167.db2.gz ZYJKMEKLJLABOW-KRWDZBQOSA-N 1 0 384.307 2.403 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCC[N@@H+]3CCCC(C)(C)C3)cnc2c1Cl ZINC000333449561 532868469 /nfs/dbraw/zinc/86/84/69/532868469.db2.gz LNJNUGHMSMSKDW-UHFFFAOYSA-N 1 0 385.921 2.091 20 0 GEADRO COc1cc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)sc1Br ZINC000289950096 532868772 /nfs/dbraw/zinc/86/87/72/532868772.db2.gz BCJXHSWEYJOHNF-UHFFFAOYSA-N 1 0 392.363 2.475 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289944615 532868912 /nfs/dbraw/zinc/86/89/12/532868912.db2.gz OWZCNALVIINGMV-DZGCQCFKSA-N 1 0 398.320 2.273 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000333501177 532869881 /nfs/dbraw/zinc/86/98/81/532869881.db2.gz FLXXOOXNVIBKGT-PBHICJAKSA-N 1 0 381.523 2.203 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000333484751 532869623 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20 0 GEADRO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCc2cc(Br)ccc21 ZINC000333865781 532874478 /nfs/dbraw/zinc/87/44/78/532874478.db2.gz SXMDPASROBJZAU-ZDUSSCGKSA-N 1 0 376.258 2.168 20 0 GEADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C(F)(F)F)s1 ZINC000333871437 532874511 /nfs/dbraw/zinc/87/45/11/532874511.db2.gz SAHXCAQQWJDGBZ-UHFFFAOYSA-N 1 0 397.488 2.262 20 0 GEADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290196943 532875036 /nfs/dbraw/zinc/87/50/36/532875036.db2.gz QWOZQSGXVNPBLN-UDFDBXRZSA-N 1 0 399.354 2.405 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNCc2nc3ccccn3c2Br)CC1 ZINC000290190355 532875210 /nfs/dbraw/zinc/87/52/10/532875210.db2.gz CCPIDMGCJQKIGU-HNNXBMFYSA-N 1 0 394.361 2.460 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@H]1CCCC(=O)N1 ZINC000290204916 532875377 /nfs/dbraw/zinc/87/53/77/532875377.db2.gz VCJOGTJLCCQJEV-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000290256101 532876430 /nfs/dbraw/zinc/87/64/30/532876430.db2.gz CBCYJAVLDBCDKO-SECBINFHSA-N 1 0 391.697 2.281 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000416407411 532876563 /nfs/dbraw/zinc/87/65/63/532876563.db2.gz KBTKRAFRYGXQFQ-SMDDNHRTSA-N 1 0 387.933 2.111 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000416434130 532877176 /nfs/dbraw/zinc/87/71/76/532877176.db2.gz SNZHIZOBQBMDQR-OCCSQVGLSA-N 1 0 386.901 2.231 20 0 GEADRO O=C(c1cc(Cl)ncc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000290332162 532878680 /nfs/dbraw/zinc/87/86/80/532878680.db2.gz IYJUXCIKKBJLMQ-NSHDSACASA-N 1 0 388.693 2.292 20 0 GEADRO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000417187771 532879048 /nfs/dbraw/zinc/87/90/48/532879048.db2.gz WSOBXGUUKRRZKZ-ZANVPECISA-N 1 0 384.274 2.318 20 0 GEADRO O=C(NCCc1ccc(F)c(Br)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417184511 532879119 /nfs/dbraw/zinc/87/91/19/532879119.db2.gz RETFREZWPGNUJJ-LBPRGKRZSA-N 1 0 380.208 2.427 20 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YQFWTUXIAPMWCS-OAHLLOKOSA-N 1 0 397.317 2.010 20 0 GEADRO C[C@H]1C[C@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000334009211 532877426 /nfs/dbraw/zinc/87/74/26/532877426.db2.gz XNRDBRIVXRBSEM-CMPLNLGQSA-N 1 0 389.315 2.065 20 0 GEADRO O=C(NCCSc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418918390 532881681 /nfs/dbraw/zinc/88/16/81/532881681.db2.gz VNGGIFMZWNGKGW-UMVBOHGHSA-N 1 0 381.929 2.053 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419574989 532882105 /nfs/dbraw/zinc/88/21/05/532882105.db2.gz SYKHLOWHLZGLMC-UPJWGTAASA-N 1 0 386.323 2.484 20 0 GEADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419578512 532882278 /nfs/dbraw/zinc/88/22/78/532882278.db2.gz XOPMMMLVIJOBQL-RWMBFGLXSA-N 1 0 384.307 2.394 20 0 GEADRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419724672 532882684 /nfs/dbraw/zinc/88/26/84/532882684.db2.gz FACFZDHQFSQVGY-CHWSQXEVSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)[C@H]1C[NH3+] ZINC000419725251 532882857 /nfs/dbraw/zinc/88/28/57/532882857.db2.gz IBUDPGZDTKATRZ-ICCXJUOJSA-N 1 0 386.279 2.129 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419886242 532883118 /nfs/dbraw/zinc/88/31/18/532883118.db2.gz BWZMRMHANLVYST-HNNXBMFYSA-N 1 0 396.329 2.302 20 0 GEADRO COCC[NH2+]CCNC(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000417584718 532880348 /nfs/dbraw/zinc/88/03/48/532880348.db2.gz YJSGOOBXXQJBJQ-GFCCVEGCSA-N 1 0 390.347 2.465 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418417708 532880623 /nfs/dbraw/zinc/88/06/23/532880623.db2.gz VLRXQLNSGFBQRJ-NILFDRSVSA-N 1 0 388.281 2.438 20 0 GEADRO C[C@@H](NC(=O)C[N@H+](CCO)C1CCOCC1)c1ccc(Br)cc1 ZINC000275647738 532880773 /nfs/dbraw/zinc/88/07/73/532880773.db2.gz WURRMOPAXPUAIJ-CYBMUJFWSA-N 1 0 385.302 2.100 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000418420763 532880816 /nfs/dbraw/zinc/88/08/16/532880816.db2.gz AHOXEUFTALLSCL-DOMZBBRYSA-N 1 0 397.317 2.005 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000418416400 532880874 /nfs/dbraw/zinc/88/08/74/532880874.db2.gz VMCQEHJTRHWJNS-GJZGRUSLSA-N 1 0 388.306 2.116 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418448426 532881033 /nfs/dbraw/zinc/88/10/33/532881033.db2.gz RYUDSAOAVDSIJB-NEPJUHHUSA-N 1 0 378.300 2.406 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418446356 532881219 /nfs/dbraw/zinc/88/12/19/532881219.db2.gz PIVNBHQMAGLADV-AWEZNQCLSA-N 1 0 390.297 2.466 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418913578 532881526 /nfs/dbraw/zinc/88/15/26/532881526.db2.gz AJNOWFLRPUXYIP-CYBMUJFWSA-N 1 0 396.329 2.101 20 0 GEADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3coc(Br)c3)n2)CC1 ZINC000350977258 532886786 /nfs/dbraw/zinc/88/67/86/532886786.db2.gz UXAWZIVCDZXHLR-UHFFFAOYSA-N 1 0 383.246 2.187 20 0 GEADRO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000420953249 532887319 /nfs/dbraw/zinc/88/73/19/532887319.db2.gz ZFDSLBHWOATQDL-CABCVRRESA-N 1 0 399.329 2.237 20 0 GEADRO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000420953251 532887491 /nfs/dbraw/zinc/88/74/91/532887491.db2.gz ZFDSLBHWOATQDL-HUUCEWRRSA-N 1 0 399.329 2.237 20 0 GEADRO CC1(C)C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@@H](CO)O1 ZINC000420942099 532887557 /nfs/dbraw/zinc/88/75/57/532887557.db2.gz PYWUIXTXAZYQTC-LBPRGKRZSA-N 1 0 389.265 2.389 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275872822 532884903 /nfs/dbraw/zinc/88/49/03/532884903.db2.gz KAJBQORBKGPLEG-SNVBAGLBSA-N 1 0 388.331 2.229 20 0 GEADRO COCCOCCOCC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000276134321 532889763 /nfs/dbraw/zinc/88/97/63/532889763.db2.gz DFQNMMDSECCOAH-OAHLLOKOSA-N 1 0 396.311 2.345 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000421305606 532890021 /nfs/dbraw/zinc/89/00/21/532890021.db2.gz VDEKKQPZQQSSCA-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000421842350 532890903 /nfs/dbraw/zinc/89/09/03/532890903.db2.gz KTTMXYIKLXIUBT-XJKSGUPXSA-N 1 0 392.924 2.488 20 0 GEADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO)Nc1ccc(Br)cc1 ZINC000360913759 532891457 /nfs/dbraw/zinc/89/14/57/532891457.db2.gz RTZBSGBBIMWOFR-SJORKVTESA-N 1 0 396.329 2.309 20 0 GEADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)Nc1ccc(Br)cc1 ZINC000360913756 532891464 /nfs/dbraw/zinc/89/14/64/532891464.db2.gz RTZBSGBBIMWOFR-DLBZAZTESA-N 1 0 396.329 2.309 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)C1=CC[N@H+](C)CC1 ZINC000276224574 532891583 /nfs/dbraw/zinc/89/15/83/532891583.db2.gz XGXHQONYICLPBV-JTQLQIEISA-N 1 0 384.249 2.293 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000276227229 532891757 /nfs/dbraw/zinc/89/17/57/532891757.db2.gz XLFHVLHRQPYIGJ-GFCCVEGCSA-N 1 0 380.286 2.463 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)C1=CC[N@H+](C)CC1 ZINC000276224578 532891812 /nfs/dbraw/zinc/89/18/12/532891812.db2.gz XGXHQONYICLPBV-SNVBAGLBSA-N 1 0 384.249 2.293 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000360926203 532891860 /nfs/dbraw/zinc/89/18/60/532891860.db2.gz IVUITVAWSAPVHE-KYOSRNDESA-N 1 0 398.301 2.169 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000361278068 532892613 /nfs/dbraw/zinc/89/26/13/532892613.db2.gz IGMAZIPTDIQKLL-SJKOYZFVSA-N 1 0 396.285 2.268 20 0 GEADRO COc1cc(Br)c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1O ZINC000360673577 532890629 /nfs/dbraw/zinc/89/06/29/532890629.db2.gz RHZGQUCIVNJGAZ-OAHLLOKOSA-N 1 0 398.345 2.375 20 0 GEADRO Cn1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(Br)c1=O ZINC000360697123 532890640 /nfs/dbraw/zinc/89/06/40/532890640.db2.gz GIRDHICNTQPPSU-ZDUSSCGKSA-N 1 0 383.290 2.240 20 0 GEADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000290952317 532893255 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Cc1ccc(CCCC(=O)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000370264869 532942741 /nfs/dbraw/zinc/94/27/41/532942741.db2.gz LTHRRBODKWTBGA-INIZCTEOSA-N 1 0 384.567 2.147 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000370425450 532943377 /nfs/dbraw/zinc/94/33/77/532943377.db2.gz SPOUKYGUOBQHLD-MRXNPFEDSA-N 1 0 385.961 2.437 20 0 GEADRO O=C(NCCN1CCOCC1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000369737241 532940634 /nfs/dbraw/zinc/94/06/34/532940634.db2.gz GNDIWRFAFDNGRU-WMZOPIPTSA-N 1 0 379.298 2.101 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000369758284 532940777 /nfs/dbraw/zinc/94/07/77/532940777.db2.gz VZBIHGFZWBOUIP-LLVKDONJSA-N 1 0 393.962 2.059 20 0 GEADRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000369782532 532940921 /nfs/dbraw/zinc/94/09/21/532940921.db2.gz FFOJIVYERVJBFN-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)cc1Br ZINC000369829095 532941039 /nfs/dbraw/zinc/94/10/39/532941039.db2.gz CVRRTDFZQUDYKQ-LLVKDONJSA-N 1 0 395.305 2.301 20 0 GEADRO C[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)Oc1ccccc1Br ZINC000369948579 532941362 /nfs/dbraw/zinc/94/13/62/532941362.db2.gz OMUNYAUJAKZWBC-RLAWYHOSSA-N 1 0 395.297 2.147 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000369959843 532941590 /nfs/dbraw/zinc/94/15/90/532941590.db2.gz KRHBNMSGOXBUJP-GFCCVEGCSA-N 1 0 389.315 2.317 20 0 GEADRO O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000370678675 532944783 /nfs/dbraw/zinc/94/47/83/532944783.db2.gz FEUHSSUFXJIGDY-CABCVRRESA-N 1 0 392.297 2.452 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000370723290 532945050 /nfs/dbraw/zinc/94/50/50/532945050.db2.gz VAOGVFQAFJWWKC-LRDDRELGSA-N 1 0 375.296 2.332 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000370725673 532945083 /nfs/dbraw/zinc/94/50/83/532945083.db2.gz UZASSIGNKSWOST-COXVUDFISA-N 1 0 381.314 2.468 20 0 GEADRO O=C(Nc1cccnc1Br)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000370754743 532945203 /nfs/dbraw/zinc/94/52/03/532945203.db2.gz UDMPKVDYMDYGHT-OLZOCXBDSA-N 1 0 383.290 2.297 20 0 GEADRO Cn1cc([C@H]2[C@H](CNC(=O)c3cncc(Br)c3)CCC[N@@H+]2C)cn1 ZINC000370918042 532946008 /nfs/dbraw/zinc/94/60/08/532946008.db2.gz QEWCXJAJQGRZJM-BLLLJJGKSA-N 1 0 392.301 2.391 20 0 GEADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3cncc(Br)c3)CCC[N@@H+]2C)cn1 ZINC000370918044 532946012 /nfs/dbraw/zinc/94/60/12/532946012.db2.gz QEWCXJAJQGRZJM-MLGOLLRUSA-N 1 0 392.301 2.391 20 0 GEADRO CCC(CC)[C@H](CNC(=O)CNC(=O)c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000030942262 207378109 /nfs/dbraw/zinc/37/81/09/207378109.db2.gz YYNOIYRDPROIEC-SFHVURJKSA-N 1 0 395.931 2.323 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)cc1Cl ZINC000370563119 532944140 /nfs/dbraw/zinc/94/41/40/532944140.db2.gz DEBUNBKPTCSZCT-MNOVXSKESA-N 1 0 390.864 2.123 20 0 GEADRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000371324848 532947510 /nfs/dbraw/zinc/94/75/10/532947510.db2.gz ABUAXIAPUZKAAG-AWEZNQCLSA-N 1 0 385.917 2.210 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1-n1cncn1 ZINC000371362952 532947645 /nfs/dbraw/zinc/94/76/45/532947645.db2.gz BEPNUXDSMQIOAV-KGLIPLIRSA-N 1 0 390.285 2.386 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000371373901 532947784 /nfs/dbraw/zinc/94/77/84/532947784.db2.gz CGTMGNRPPXSPDR-WBVHZDCISA-N 1 0 385.961 2.295 20 0 GEADRO COCCn1cc(C[NH+]2CCC(Cn3cc(Br)cn3)CC2)cn1 ZINC000371685625 532949263 /nfs/dbraw/zinc/94/92/63/532949263.db2.gz NFLDZXFCLAPRDK-UHFFFAOYSA-N 1 0 382.306 2.401 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCCN(C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000371421920 532948009 /nfs/dbraw/zinc/94/80/09/532948009.db2.gz BOAHULIEIXOFHH-LPHOPBHVSA-N 1 0 396.373 2.442 20 0 GEADRO C[N@@H+]1CCCC12CCN(C(=O)CNC(=O)c1cccc(Br)c1)CC2 ZINC000371498843 532948363 /nfs/dbraw/zinc/94/83/63/532948363.db2.gz ZGJKEKAJALITTG-UHFFFAOYSA-N 1 0 394.313 2.266 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc(F)cc(Cl)c3)C2)CC1 ZINC000371053743 532946660 /nfs/dbraw/zinc/94/66/60/532946660.db2.gz LBJAHTCEHIWLIS-INIZCTEOSA-N 1 0 389.924 2.268 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000371083222 532946941 /nfs/dbraw/zinc/94/69/41/532946941.db2.gz AMYBBPAGVLTGJQ-YVEFUNNKSA-N 1 0 396.285 2.268 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000371083219 532946980 /nfs/dbraw/zinc/94/69/80/532946980.db2.gz AMYBBPAGVLTGJQ-PXAZEXFGSA-N 1 0 396.285 2.268 20 0 GEADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc(Br)ccc2F)C1=O ZINC000371093383 532946995 /nfs/dbraw/zinc/94/69/95/532946995.db2.gz KJZNQJDXBCRPIU-MEDUHNTESA-N 1 0 384.249 2.398 20 0 GEADRO NC(=O)C1(N2CCN(C[C@H](O)c3ccc(Cl)cc3Cl)CC2)CCCC1 ZINC000371167244 532947065 /nfs/dbraw/zinc/94/70/65/532947065.db2.gz VMIHMHYUDFBRPV-INIZCTEOSA-N 1 0 386.323 2.443 20 0 GEADRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000371196669 532947193 /nfs/dbraw/zinc/94/71/93/532947193.db2.gz FHKWRZDGXCVTTK-UHFFFAOYSA-N 1 0 382.302 2.419 20 0 GEADRO Cn1cc([C@H]2[C@H](CNS(=O)(=O)c3ccc(Cl)s3)CCCN2C)cn1 ZINC000371738503 532949512 /nfs/dbraw/zinc/94/95/12/532949512.db2.gz DMKTYHNLWHJOKK-XHDPSFHLSA-N 1 0 388.946 2.496 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ncc(Br)cn2)CC1 ZINC000067351018 136164575 /nfs/dbraw/zinc/16/45/75/136164575.db2.gz GTVAWLJGVJVTMK-UHFFFAOYSA-N 1 0 398.349 2.304 20 0 GEADRO CC(C)c1nnc(CN(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)o1 ZINC000487489937 570494257 /nfs/dbraw/zinc/49/42/57/570494257.db2.gz YWMIXDKBYCUOCM-KBPBESRZSA-N 1 0 377.468 2.098 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736400885 598836101 /nfs/dbraw/zinc/83/61/01/598836101.db2.gz TWASYSORFQGIAU-LBPRGKRZSA-N 1 0 398.920 2.063 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000737523181 598851368 /nfs/dbraw/zinc/85/13/68/598851368.db2.gz HKJNHROECDMRJS-DLBZAZTESA-N 1 0 380.456 2.035 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCOC[C@H]1CC(C)C ZINC000737523219 598853557 /nfs/dbraw/zinc/85/35/57/598853557.db2.gz HSGQDDLPEPLDHJ-QGZVFWFLSA-N 1 0 382.472 2.138 20 0 GEADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265512 598868329 /nfs/dbraw/zinc/86/83/29/598868329.db2.gz BZBBRSBDUWEIIQ-IRXDYDNUSA-N 1 0 398.511 2.359 20 0 GEADRO COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)N2CCOCC2)cc1 ZINC000737076869 598891896 /nfs/dbraw/zinc/89/18/96/598891896.db2.gz SJIKCYRFUQVGTD-FQEVSTJZSA-N 1 0 394.479 2.038 20 0 GEADRO Fc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)N2CCOCC2)cc1 ZINC000737647759 598892065 /nfs/dbraw/zinc/89/20/65/598892065.db2.gz DRSRXRLTEFJMER-IBGZPJMESA-N 1 0 382.443 2.169 20 0 GEADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000738115495 598963205 /nfs/dbraw/zinc/96/32/05/598963205.db2.gz CPORJXCCGSWUGO-IBGZPJMESA-N 1 0 391.479 2.331 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000737033012 598981193 /nfs/dbraw/zinc/98/11/93/598981193.db2.gz QMYRLQYPOCYPIV-UHFFFAOYSA-N 1 0 397.435 2.157 20 0 GEADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1 ZINC000736529992 598986061 /nfs/dbraw/zinc/98/60/61/598986061.db2.gz DKNLQFNSTBXHBV-UHFFFAOYSA-N 1 0 381.440 2.235 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000737031801 598986162 /nfs/dbraw/zinc/98/61/62/598986162.db2.gz HOCPKPHMIHBYTJ-MRXNPFEDSA-N 1 0 397.483 2.442 20 0 GEADRO CC(C)OCCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000735896805 598988375 /nfs/dbraw/zinc/98/83/75/598988375.db2.gz VWHXUJJAYPSQJM-GFCCVEGCSA-N 1 0 392.529 2.491 20 0 GEADRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736614939 598994424 /nfs/dbraw/zinc/99/44/24/598994424.db2.gz WHFPBWULLRVGLU-IRXDYDNUSA-N 1 0 384.484 2.475 20 0 GEADRO CC[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)[NH+](CC)CC ZINC000736314581 599018297 /nfs/dbraw/zinc/01/82/97/599018297.db2.gz SELFDPFVDAPZQK-AWEZNQCLSA-N 1 0 394.863 2.122 20 0 GEADRO C[NH+](C)CCCNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736766849 599018695 /nfs/dbraw/zinc/01/86/95/599018695.db2.gz GDOCQRGLPLWZFG-UHFFFAOYSA-N 1 0 380.452 2.127 20 0 GEADRO C[C@H](CNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1)[NH+](C)C ZINC000736026561 599022225 /nfs/dbraw/zinc/02/22/25/599022225.db2.gz UHEDSQBDLJAYOU-CQSZACIVSA-N 1 0 380.452 2.126 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736854206 599029623 /nfs/dbraw/zinc/02/96/23/599029623.db2.gz BMXONESOEBXHBC-GOSISDBHSA-N 1 0 392.463 2.270 20 0 GEADRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736129347 599050333 /nfs/dbraw/zinc/05/03/33/599050333.db2.gz DFSZKGFQOUOEKS-ZEQHWRKHSA-N 1 0 390.875 2.250 20 0 GEADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736802032 599082953 /nfs/dbraw/zinc/08/29/53/599082953.db2.gz OJHRSDILRFLSJM-IBGZPJMESA-N 1 0 392.463 2.373 20 0 GEADRO C[NH+](C)C1(CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)Cc2ccccc2C1 ZINC000736760046 599085030 /nfs/dbraw/zinc/08/50/30/599085030.db2.gz OSYWWGXNCXCJBM-VAWYXSNFSA-N 1 0 388.475 2.095 20 0 GEADRO C[NH+](C)C1(CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)Cc2ccccc2C1 ZINC000736762946 599085346 /nfs/dbraw/zinc/08/53/46/599085346.db2.gz YHRAJKRMZNBLNO-UHFFFAOYSA-N 1 0 390.491 2.015 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736531911 599089245 /nfs/dbraw/zinc/08/92/45/599089245.db2.gz MJNAMJBSIPZEKY-IBGZPJMESA-N 1 0 393.495 2.025 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736531913 599089363 /nfs/dbraw/zinc/08/93/63/599089363.db2.gz MJNAMJBSIPZEKY-LJQANCHMSA-N 1 0 393.495 2.025 20 0 GEADRO COc1ccc(CC[C@H](C)[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737087312 599096010 /nfs/dbraw/zinc/09/60/10/599096010.db2.gz MPWKEBFTTODMSM-UGSOOPFHSA-N 1 0 380.452 2.013 20 0 GEADRO NC(=O)[C@@H](NCc1ccccc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737244 599096454 /nfs/dbraw/zinc/09/64/54/599096454.db2.gz PRUIGLLGNIGNFM-AWEZNQCLSA-N 1 0 376.342 2.202 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1-c1nn[nH]n1 ZINC000737189545 599105532 /nfs/dbraw/zinc/10/55/32/599105532.db2.gz NZPFFJCBOHYTMC-GFCCVEGCSA-N 1 0 387.513 2.027 20 0 GEADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CCC([N@H+](C)CCCO)CC1 ZINC000737263069 599117741 /nfs/dbraw/zinc/11/77/41/599117741.db2.gz KDEHTIYUDLKCOH-UHFFFAOYSA-N 1 0 399.474 2.145 20 0 GEADRO O=C(C[N@@H+]1CC[C@H](Cc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737874358 599136646 /nfs/dbraw/zinc/13/66/46/599136646.db2.gz BKIGNJTWYPBYAE-GOSISDBHSA-N 1 0 376.464 2.048 20 0 GEADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000820020094 599156719 /nfs/dbraw/zinc/15/67/19/599156719.db2.gz BBZKSRKVDLKSOS-RHSMWYFYSA-N 1 0 384.463 2.101 20 0 GEADRO COCC[C@@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736977221 599176908 /nfs/dbraw/zinc/17/69/08/599176908.db2.gz WFWHRILAWXTXLJ-OAQYLSRUSA-N 1 0 397.479 2.323 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1Cc2ccccc21 ZINC000736768207 599188879 /nfs/dbraw/zinc/18/88/79/599188879.db2.gz YAYRHDRJCJNNBK-LJQANCHMSA-N 1 0 376.464 2.097 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C1 ZINC000821181632 599204404 /nfs/dbraw/zinc/20/44/04/599204404.db2.gz NSNVYAQHLSCOFA-HNNXBMFYSA-N 1 0 397.483 2.363 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821180564 599209046 /nfs/dbraw/zinc/20/90/46/599209046.db2.gz FFOYQGNGFHFYSG-KRWDZBQOSA-N 1 0 386.500 2.359 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000738388439 599217510 /nfs/dbraw/zinc/21/75/10/599217510.db2.gz STVIZYDXKWFPFI-LJQANCHMSA-N 1 0 397.454 2.453 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000736170105 599220432 /nfs/dbraw/zinc/22/04/32/599220432.db2.gz RRVFUZYCRJJGMW-HNAYVOBHSA-N 1 0 393.447 2.452 20 0 GEADRO 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ZINC000736291936 598366100 /nfs/dbraw/zinc/36/61/00/598366100.db2.gz ZXSIZXGMYHUDAK-OXQOHEQNSA-N 1 0 378.480 2.106 20 0 GEADRO COc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737137190 598375738 /nfs/dbraw/zinc/37/57/38/598375738.db2.gz BZKYUYBTCZVKIM-UHFFFAOYSA-N 1 0 395.467 2.471 20 0 GEADRO Cc1csc(=Nc2ccccc2-c2nn[nH]n2)n1[C@@H](C)CN1CC[NH+](C)CC1 ZINC000737457585 598393194 /nfs/dbraw/zinc/39/31/94/598393194.db2.gz ZQEDMBHHTDKGQZ-AWEZNQCLSA-N 1 0 398.540 2.079 20 0 GEADRO Cc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737471710 598407030 /nfs/dbraw/zinc/40/70/30/598407030.db2.gz SGSDJPGZCNVLJT-SWLSCSKDSA-N 1 0 388.497 2.373 20 0 GEADRO O=C(CCN1CC[C@H]([NH+]2CCCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737839868 598423785 /nfs/dbraw/zinc/42/37/85/598423785.db2.gz VULRUAGSONAXJO-AWEZNQCLSA-N 1 0 389.891 2.019 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000736322451 598424838 /nfs/dbraw/zinc/42/48/38/598424838.db2.gz KRRPSODGUGIOTA-CQSZACIVSA-N 1 0 398.467 2.499 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000735873623 598427548 /nfs/dbraw/zinc/42/75/48/598427548.db2.gz DMPPKSZMMCFUFZ-INIZCTEOSA-N 1 0 383.500 2.271 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000735734857 598466657 /nfs/dbraw/zinc/46/66/57/598466657.db2.gz PHFPULPPOBOAID-VQIMIIECSA-N 1 0 398.511 2.357 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C12CC3CC(CC(C3)C1)C2 ZINC000736135832 598517235 /nfs/dbraw/zinc/51/72/35/598517235.db2.gz QDYASSUYYKOKTP-QOLSXCEWSA-N 1 0 382.516 2.299 20 0 GEADRO Fc1ccc(SCCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737655708 598517669 /nfs/dbraw/zinc/51/76/69/598517669.db2.gz DWLNHCBRXXOBMN-GFCCVEGCSA-N 1 0 388.476 2.016 20 0 GEADRO COc1ccc([C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(C)C)cc1 ZINC000737076949 598518979 /nfs/dbraw/zinc/51/89/79/598518979.db2.gz ULOMSNIIBDHPRT-SUMWQHHRSA-N 1 0 382.472 2.100 20 0 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c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)C2 ZINC000738428222 598530519 /nfs/dbraw/zinc/53/05/19/598530519.db2.gz MORMGBAZCLLEIW-ZIFCJYIRSA-N 1 0 392.511 2.496 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000736569918 598555876 /nfs/dbraw/zinc/55/58/76/598555876.db2.gz KBZUJCOUJGOMOY-UHFFFAOYSA-N 1 0 396.451 2.253 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)NCC1CCCCC1 ZINC000737842502 598558814 /nfs/dbraw/zinc/55/88/14/598558814.db2.gz COQQZEUEYYNCFI-UHFFFAOYSA-N 1 0 397.527 2.075 20 0 GEADRO O=C(CC1CCCC1)NC1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737815481 598559007 /nfs/dbraw/zinc/55/90/07/598559007.db2.gz VZHAQKCYFQWANV-UHFFFAOYSA-N 1 0 398.511 2.406 20 0 GEADRO CC(C)NC(=O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735888546 598559403 /nfs/dbraw/zinc/55/94/03/598559403.db2.gz MGANOXGJKRAHQY-UHFFFAOYSA-N 1 0 380.452 2.060 20 0 GEADRO C[C@H](CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)C[NH+]1CCCC1 ZINC000736018422 598561489 /nfs/dbraw/zinc/56/14/89/598561489.db2.gz WCZYINFOGKAWQE-LLVKDONJSA-N 1 0 395.414 2.322 20 0 GEADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000266804827 598594244 /nfs/dbraw/zinc/59/42/44/598594244.db2.gz DDCMKIHWJBCWDT-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO C[N@H+](CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736801126 598596580 /nfs/dbraw/zinc/59/65/80/598596580.db2.gz RTYCBSMZYJZPNH-LJQANCHMSA-N 1 0 397.527 2.216 20 0 GEADRO CC(C)(CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1 ZINC000735666089 598604073 /nfs/dbraw/zinc/60/40/73/598604073.db2.gz MWNHUQGOVWMYLU-GOSISDBHSA-N 1 0 397.527 2.216 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736457614 598605783 /nfs/dbraw/zinc/60/57/83/598605783.db2.gz QBYQSUAETKGWQZ-IBGZPJMESA-N 1 0 397.527 2.216 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000736530814 598617322 /nfs/dbraw/zinc/61/73/22/598617322.db2.gz NADVVNKMVNMBBG-UHFFFAOYSA-N 1 0 394.479 2.404 20 0 GEADRO CC[N@H+]([C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736510933 598621713 /nfs/dbraw/zinc/62/17/13/598621713.db2.gz ABEMIOTWSCQIIN-SMDDNHRTSA-N 1 0 382.390 2.413 20 0 GEADRO COc1cccc([C@@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)[NH+](C)C)c1 ZINC000737128243 598625044 /nfs/dbraw/zinc/62/50/44/598625044.db2.gz UPKFNHFHPYYBPF-QGZVFWFLSA-N 1 0 399.430 2.439 20 0 GEADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000736768663 598629629 /nfs/dbraw/zinc/62/96/29/598629629.db2.gz HJQMQOZRJSVPNI-UHFFFAOYSA-N 1 0 399.430 2.268 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000736757419 598664141 /nfs/dbraw/zinc/66/41/41/598664141.db2.gz AGJYXVSVNFOGKO-QGZVFWFLSA-N 1 0 396.520 2.248 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736230357 598666409 /nfs/dbraw/zinc/66/64/09/598666409.db2.gz SMYGIXDSNFVBFB-HUUCEWRRSA-N 1 0 388.541 2.443 20 0 GEADRO CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736768636 598668146 /nfs/dbraw/zinc/66/81/46/598668146.db2.gz GQGVPTYMKNJUJD-UHFFFAOYSA-N 1 0 380.452 2.013 20 0 GEADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738018671 598668298 /nfs/dbraw/zinc/66/82/98/598668298.db2.gz DKBCMWSOYNCGTP-AYHJJNSGSA-N 1 0 389.463 2.187 20 0 GEADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000737943668 598668928 /nfs/dbraw/zinc/66/89/28/598668928.db2.gz UIQQABFQRNATLY-MRXNPFEDSA-N 1 0 386.525 2.436 20 0 GEADRO CC[NH+]1CCC(CNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736565355 598684636 /nfs/dbraw/zinc/68/46/36/598684636.db2.gz KEQXGVUGOYNQKB-UHFFFAOYSA-N 1 0 386.500 2.264 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)C1CC1 ZINC000736758916 598685463 /nfs/dbraw/zinc/68/54/63/598685463.db2.gz JZEDGFWDMRSAEK-QGZVFWFLSA-N 1 0 393.451 2.124 20 0 GEADRO CC[N@H+](CCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)C1CC1 ZINC000736536241 598688433 /nfs/dbraw/zinc/68/84/33/598688433.db2.gz GGDWELMXSXZSKU-UHFFFAOYSA-N 1 0 393.451 2.268 20 0 GEADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735856448 598692711 /nfs/dbraw/zinc/69/27/11/598692711.db2.gz HBHXIPSYQXLUQM-UHFFFAOYSA-N 1 0 393.495 2.435 20 0 GEADRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736019999 598704809 /nfs/dbraw/zinc/70/48/09/598704809.db2.gz JHBOMMCPLHVKQQ-CYBMUJFWSA-N 1 0 376.461 2.091 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CCN(C2CC2)C1 ZINC000736793120 598708170 /nfs/dbraw/zinc/70/81/70/598708170.db2.gz RZSLBLQEQMOHMB-CQSZACIVSA-N 1 0 389.891 2.017 20 0 GEADRO C[C@H](CNC(=O)NCc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000736018892 598715143 /nfs/dbraw/zinc/71/51/43/598715143.db2.gz XININSODZGWPKQ-OAHLLOKOSA-N 1 0 379.468 2.186 20 0 GEADRO Cc1noc(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737535756 598726068 /nfs/dbraw/zinc/72/60/68/598726068.db2.gz BMANVPULWJQDFR-UHFFFAOYSA-N 1 0 396.455 2.211 20 0 GEADRO O=C(C[N@H+](C1CC1)C1CCCC1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000737861539 598757655 /nfs/dbraw/zinc/75/76/55/598757655.db2.gz FLHKKMGCEJSIJN-UHFFFAOYSA-N 1 0 392.467 2.398 20 0 GEADRO Cc1nccc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737499592 598760858 /nfs/dbraw/zinc/76/08/58/598760858.db2.gz MBUKRFBXDQHANX-OAHLLOKOSA-N 1 0 392.467 2.173 20 0 GEADRO O=C1[C@H]([N@@H+]2CC[C@@H](Nc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291559 598764472 /nfs/dbraw/zinc/76/44/72/598764472.db2.gz VHIZWJWMQJDSFO-IEBWSBKVSA-N 1 0 389.463 2.158 20 0 GEADRO Fc1cc(F)c2ncc(-c3nn[nH]n3)c(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000737645469 598771274 /nfs/dbraw/zinc/77/12/74/598771274.db2.gz ZKYJRYVNUPGXMA-UHFFFAOYSA-N 1 0 394.389 2.415 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736322820 598782233 /nfs/dbraw/zinc/78/22/33/598782233.db2.gz PMJZNSHIKONLMR-SNVBAGLBSA-N 1 0 383.403 2.320 20 0 GEADRO Cc1nc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cs1 ZINC000737472142 598805920 /nfs/dbraw/zinc/80/59/20/598805920.db2.gz QFKVDYXBCUUACU-UHFFFAOYSA-N 1 0 399.524 2.155 20 0 GEADRO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736978786 598820982 /nfs/dbraw/zinc/82/09/82/598820982.db2.gz RPRWRPXLBJAXNL-VXGBXAGGSA-N 1 0 390.513 2.102 20 0 GEADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000736197704 599309491 /nfs/dbraw/zinc/30/94/91/599309491.db2.gz NXUIETXJEZWMEP-NSHDSACASA-N 1 0 382.390 2.318 20 0 GEADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000736200582 599311553 /nfs/dbraw/zinc/31/15/53/599311553.db2.gz VGNOCRRSBZKYPG-ZDUSSCGKSA-N 1 0 398.492 2.358 20 0 GEADRO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)ncn1 ZINC000736887240 599318094 /nfs/dbraw/zinc/31/80/94/599318094.db2.gz LURVPECSPODHID-BBRMVZONSA-N 1 0 379.472 2.018 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821088308 599330016 /nfs/dbraw/zinc/33/00/16/599330016.db2.gz KWECHOQSCKIFQS-MRXNPFEDSA-N 1 0 380.500 2.351 20 0 GEADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000735965442 599356401 /nfs/dbraw/zinc/35/64/01/599356401.db2.gz LOCCQATTWRAHDN-HNNXBMFYSA-N 1 0 382.472 2.298 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413975 599380072 /nfs/dbraw/zinc/38/00/72/599380072.db2.gz WKMUTICHYVLVNA-MAUKXSAKSA-N 1 0 392.463 2.197 20 0 GEADRO NC(=O)[C@H]([NH2+]CCc1c[nH]c2ccc(Cl)cc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850681 599385112 /nfs/dbraw/zinc/38/51/12/599385112.db2.gz NAPBNIUPHCZVGA-QGZVFWFLSA-N 1 0 395.854 2.360 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736865973 599418397 /nfs/dbraw/zinc/41/83/97/599418397.db2.gz AHKZTZZNCRZGRM-UHFFFAOYSA-N 1 0 384.875 2.279 20 0 GEADRO COc1ccc(C[NH2+]CC(=O)Nc2cccc3cccnc32)cc1-c1nn[nH]n1 ZINC000821810359 599422348 /nfs/dbraw/zinc/42/23/48/599422348.db2.gz ZJIOLZIXBRTEPD-UHFFFAOYSA-N 1 0 389.419 2.152 20 0 GEADRO O=C(Nc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1)c1ccncc1 ZINC000823323477 599423459 /nfs/dbraw/zinc/42/34/59/599423459.db2.gz PLLJGBDERZQBFQ-UHFFFAOYSA-N 1 0 375.392 2.397 20 0 GEADRO O[C@H](C[NH+]1CCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738383966 599430875 /nfs/dbraw/zinc/43/08/75/599430875.db2.gz YNZYRCCTVGWLIO-GOSISDBHSA-N 1 0 384.871 2.376 20 0 GEADRO COc1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1-c1nn[nH]n1 ZINC000821804228 599442157 /nfs/dbraw/zinc/44/21/57/599442157.db2.gz KDKQXPDFFODUAW-HNNXBMFYSA-N 1 0 378.436 2.050 20 0 GEADRO c1ccc2c(c1)nc(NC1CC[NH+](C[C@@H]3CCOC3)CC1)cc2-c1nn[nH]n1 ZINC000738433350 599442739 /nfs/dbraw/zinc/44/27/39/599442739.db2.gz QNGVMDYBWCKRIQ-AWEZNQCLSA-N 1 0 379.468 2.328 20 0 GEADRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736801697 599448453 /nfs/dbraw/zinc/44/84/53/599448453.db2.gz UCMMBFJBUJMIJS-UHFFFAOYSA-N 1 0 376.461 2.092 20 0 GEADRO COC(=O)C1CC[NH+](CCCNc2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000821655527 599477705 /nfs/dbraw/zinc/47/77/05/599477705.db2.gz NAADRXVEBHNTAY-UHFFFAOYSA-N 1 0 395.467 2.102 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000738432560 599485968 /nfs/dbraw/zinc/48/59/68/599485968.db2.gz JDHJBVCMEAPNMT-GOSISDBHSA-N 1 0 388.479 2.269 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736226822 599486079 /nfs/dbraw/zinc/48/60/79/599486079.db2.gz YJFORRGSCXPPPA-GJZGRUSLSA-N 1 0 382.516 2.361 20 0 GEADRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736201164 599488259 /nfs/dbraw/zinc/48/82/59/599488259.db2.gz HCGWJEDTTDVDEH-YJBOKZPZSA-N 1 0 388.479 2.440 20 0 GEADRO O[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc2ccccc2c1 ZINC000738380433 599491754 /nfs/dbraw/zinc/49/17/54/599491754.db2.gz BMJNWHBSLMOKSV-LJQANCHMSA-N 1 0 385.431 2.491 20 0 GEADRO Cn1c(CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)nc2ccccc21 ZINC000737593431 599493472 /nfs/dbraw/zinc/49/34/72/599493472.db2.gz SVBPGAHHYYHHQB-UHFFFAOYSA-N 1 0 387.451 2.124 20 0 GEADRO C[C@H]1CC[C@@H](CCC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)O1 ZINC000820684067 599493783 /nfs/dbraw/zinc/49/37/83/599493783.db2.gz LRDXSAYOIJBOFR-YJBOKZPZSA-N 1 0 386.500 2.105 20 0 GEADRO CSCCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737180667 599507235 /nfs/dbraw/zinc/50/72/35/599507235.db2.gz BFFSMIDSKVKUAH-UHFFFAOYSA-N 1 0 391.545 2.083 20 0 GEADRO COCCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000821687887 599519008 /nfs/dbraw/zinc/51/90/08/599519008.db2.gz ULFGOQWIEANPNC-UHFFFAOYSA-N 1 0 399.474 2.197 20 0 GEADRO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2F)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820768609 599530821 /nfs/dbraw/zinc/53/08/21/599530821.db2.gz OTTVOOVISKBOMS-AUUYWEPGSA-N 1 0 382.443 2.250 20 0 GEADRO CC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC[N@@H+]1C[C@H](C)O ZINC000820994079 599532738 /nfs/dbraw/zinc/53/27/38/599532738.db2.gz 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ZINC000826369217 608269072 /nfs/dbraw/zinc/26/90/72/608269072.db2.gz SGUBZWQCOJQJMW-ZDUSSCGKSA-N 1 0 391.357 2.329 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)c(N2CC[NH+](Cc3cccc4cccnc43)CC2)n1 ZINC000826275013 608271046 /nfs/dbraw/zinc/27/10/46/608271046.db2.gz LPYRHSLZRGIEIJ-UHFFFAOYSA-N 1 0 386.463 2.441 20 0 GEADRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824991916 608281270 /nfs/dbraw/zinc/28/12/70/608281270.db2.gz IEQWHDFGEMMGMA-OXQOHEQNSA-N 1 0 393.495 2.141 20 0 GEADRO c1ccc(CN2CCC[C@H]([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000826521641 608282055 /nfs/dbraw/zinc/28/20/55/608282055.db2.gz UIHPNXXYVIWSGB-IBGZPJMESA-N 1 0 378.480 2.500 20 0 GEADRO Cc1cc2ncc([C@@H](C)[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)c(C)n2n1 ZINC000826273027 608283252 /nfs/dbraw/zinc/28/32/52/608283252.db2.gz MGQPRKVBXIRGBG-CYBMUJFWSA-N 1 0 378.440 2.256 20 0 GEADRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824991545 608284347 /nfs/dbraw/zinc/28/43/47/608284347.db2.gz CEHFJIUUPZELJD-AUUYWEPGSA-N 1 0 381.459 2.401 20 0 GEADRO c1c2c(nc(N3CCC(OCC[NH+]4CCCC4)CC3)c1-c1nn[nH]n1)CCCC2 ZINC000826511953 608292787 /nfs/dbraw/zinc/29/27/87/608292787.db2.gz KIBBXJKCVTXXCH-UHFFFAOYSA-N 1 0 397.527 2.222 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000826332183 608312372 /nfs/dbraw/zinc/31/23/72/608312372.db2.gz MDYKFROWDPDDQB-QGZVFWFLSA-N 1 0 378.484 2.029 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(c3ncc[nH]3)CC2)c1-c1nn[nH]n1 ZINC000826332411 608315785 /nfs/dbraw/zinc/31/57/85/608315785.db2.gz SYNVWCRLLACJMI-UHFFFAOYSA-N 1 0 389.467 2.464 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826176039 608324019 /nfs/dbraw/zinc/32/40/19/608324019.db2.gz YIKVQPXNOKSBRJ-HOTGVXAUSA-N 1 0 387.484 2.393 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407187 608326673 /nfs/dbraw/zinc/32/66/73/608326673.db2.gz DWCUAWLZCLWALC-CVEARBPZSA-N 1 0 384.484 2.334 20 0 GEADRO C[NH+]1CCC(C(=O)NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000826022432 608327619 /nfs/dbraw/zinc/32/76/19/608327619.db2.gz NACMWVXLMACXHD-UHFFFAOYSA-N 1 0 376.464 2.492 20 0 GEADRO CC1(C)c2ccccc2CC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824818162 608331324 /nfs/dbraw/zinc/33/13/24/608331324.db2.gz SLYFIBBLNQZOLQ-KRWDZBQOSA-N 1 0 379.464 2.400 20 0 GEADRO C[NH+]1CCC(NC(=O)NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000826029980 608342497 /nfs/dbraw/zinc/34/24/97/608342497.db2.gz ZAURDKJZVKHFNI-UHFFFAOYSA-N 1 0 391.479 2.427 20 0 GEADRO CCCCCNC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000825276500 608354129 /nfs/dbraw/zinc/35/41/29/608354129.db2.gz YQYQDDUKMJEQQP-UHFFFAOYSA-N 1 0 386.500 2.394 20 0 GEADRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000825282742 608354478 /nfs/dbraw/zinc/35/44/78/608354478.db2.gz YMOKVPYYLDLPAO-UHFFFAOYSA-N 1 0 386.500 2.346 20 0 GEADRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000825284914 608355406 /nfs/dbraw/zinc/35/54/06/608355406.db2.gz CMTOBPRQTUNGHE-WMLDXEAASA-N 1 0 386.500 2.392 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000826169223 608365077 /nfs/dbraw/zinc/36/50/77/608365077.db2.gz LPYGPLWUOGBNHL-INIZCTEOSA-N 1 0 390.451 2.298 20 0 GEADRO C[NH+](C)[C@@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21)C1CC1 ZINC000825850340 608377346 /nfs/dbraw/zinc/37/73/46/608377346.db2.gz PDOPSXOCPCMZFN-ZDUSSCGKSA-N 1 0 375.839 2.381 20 0 GEADRO C[NH+](C)[C@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21)C1CC1 ZINC000825850338 608377647 /nfs/dbraw/zinc/37/76/47/608377647.db2.gz PDOPSXOCPCMZFN-CYBMUJFWSA-N 1 0 375.839 2.381 20 0 GEADRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826389818 608396975 /nfs/dbraw/zinc/39/69/75/608396975.db2.gz JHSSADJUIWIZRY-UHFFFAOYSA-N 1 0 380.427 2.025 20 0 GEADRO COc1ccccc1[C@H](CNc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCC1 ZINC000826218524 608402067 /nfs/dbraw/zinc/40/20/67/608402067.db2.gz FMAVQWSGTFFDHG-INIZCTEOSA-N 1 0 380.456 2.304 20 0 GEADRO C[C@@H](CNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[N@H+](C)C1CC1 ZINC000824420556 608419346 /nfs/dbraw/zinc/41/93/46/608419346.db2.gz MNEDUKXEGOSUIN-AWEZNQCLSA-N 1 0 381.484 2.148 20 0 GEADRO C[NH+]1CCC(CCNC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826023183 608419761 /nfs/dbraw/zinc/41/97/61/608419761.db2.gz YMRIYMJOBBJXTC-UHFFFAOYSA-N 1 0 395.511 2.397 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(-n2cncn2)cc1 ZINC000824599898 608427152 /nfs/dbraw/zinc/42/71/52/608427152.db2.gz ULXPLRVENMKYCS-CQSZACIVSA-N 1 0 376.424 2.177 20 0 GEADRO COc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1 ZINC000826188596 608429338 /nfs/dbraw/zinc/42/93/38/608429338.db2.gz BFJBTGJFVNMALD-FQEVSTJZSA-N 1 0 394.479 2.478 20 0 GEADRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cccc(-c3nn[nH]n3)c2F)cc1 ZINC000826284402 608429885 /nfs/dbraw/zinc/42/98/85/608429885.db2.gz SEAWTKIFSYGWPJ-IBGZPJMESA-N 1 0 396.470 2.477 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000826176543 608430906 /nfs/dbraw/zinc/43/09/06/608430906.db2.gz UBZMPIJOXZPKOD-GFCCVEGCSA-N 1 0 383.408 2.334 20 0 GEADRO CCOc1ccccc1[C@@H](C)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000825654394 608438470 /nfs/dbraw/zinc/43/84/70/608438470.db2.gz ZVSIAPAYNCIQEJ-CQSZACIVSA-N 1 0 380.452 2.232 20 0 GEADRO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC1(CS(C)(=O)=O)CC1 ZINC000824261599 608449090 /nfs/dbraw/zinc/44/90/90/608449090.db2.gz NCNZSLGXYMDAIX-UHFFFAOYSA-N 1 0 377.514 2.150 20 0 GEADRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564479 608459257 /nfs/dbraw/zinc/45/92/57/608459257.db2.gz UKWLHYQFVLXZLV-SUMWQHHRSA-N 1 0 378.436 2.157 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCCN(C)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824565087 608460818 /nfs/dbraw/zinc/46/08/18/608460818.db2.gz YUXBBKIMGXCCPU-INIZCTEOSA-N 1 0 393.495 2.160 20 0 GEADRO Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826299748 608464459 /nfs/dbraw/zinc/46/44/59/608464459.db2.gz SXJZSRHHISZZKF-AWEZNQCLSA-N 1 0 393.451 2.482 20 0 GEADRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826192234 608464615 /nfs/dbraw/zinc/46/46/15/608464615.db2.gz FNXNUGJTBYSQCN-CQSZACIVSA-N 1 0 380.452 2.185 20 0 GEADRO COc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826219951 608467041 /nfs/dbraw/zinc/46/70/41/608467041.db2.gz XAADOQFRAWYRJT-AWEZNQCLSA-N 1 0 380.452 2.185 20 0 GEADRO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825564811 608467944 /nfs/dbraw/zinc/46/79/44/608467944.db2.gz GGTNUKZIOVYLLG-ZDUSSCGKSA-N 1 0 394.435 2.333 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C(C)(C)c1ccccc1 ZINC000824563445 608477154 /nfs/dbraw/zinc/47/71/54/608477154.db2.gz ONKWVVFFZYHIAD-HNNXBMFYSA-N 1 0 378.480 2.439 20 0 GEADRO Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826296649 608482926 /nfs/dbraw/zinc/48/29/26/608482926.db2.gz DVUOGAURCFGOKK-MRXNPFEDSA-N 1 0 394.479 2.329 20 0 GEADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823999877 608487837 /nfs/dbraw/zinc/48/78/37/608487837.db2.gz LFWCDWYRRVFCJY-GFCCVEGCSA-N 1 0 379.424 2.114 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)n(C(C)(C)C)n1 ZINC000826270041 608491261 /nfs/dbraw/zinc/49/12/61/608491261.db2.gz IOTZONFMJLQBMW-CYBMUJFWSA-N 1 0 382.472 2.416 20 0 GEADRO c1cnc(N2CCOCC2)c(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826525744 608500994 /nfs/dbraw/zinc/50/09/94/608500994.db2.gz XIXIPGFNSWYXEW-LJQANCHMSA-N 1 0 391.479 2.266 20 0 GEADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826442732 608505370 /nfs/dbraw/zinc/50/53/70/608505370.db2.gz IXHMUQMDTLFIOW-UHFFFAOYSA-N 1 0 382.493 2.457 20 0 GEADRO c1oc(C2CC2)nc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826514584 608508067 /nfs/dbraw/zinc/50/80/67/608508067.db2.gz WCWYVEQARUPUTF-UHFFFAOYSA-N 1 0 379.468 2.440 20 0 GEADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000826517862 608518968 /nfs/dbraw/zinc/51/89/68/608518968.db2.gz QYILBDMRFIAJRK-ZCNNSNEGSA-N 1 0 382.512 2.477 20 0 GEADRO O=C(C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000826412611 608526838 /nfs/dbraw/zinc/52/68/38/608526838.db2.gz VIVDYMKDYVULLQ-XJKSGUPXSA-N 1 0 384.465 2.234 20 0 GEADRO COc1ccc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c(OC)c1 ZINC000826209419 608527840 /nfs/dbraw/zinc/52/78/40/608527840.db2.gz AWOPMQGFVPFVES-UHFFFAOYSA-N 1 0 394.435 2.101 20 0 GEADRO COc1ccc(COC[C@@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826206734 608532283 /nfs/dbraw/zinc/53/22/83/608532283.db2.gz JBTFHJLWGDNAIY-SFHVURJKSA-N 1 0 395.463 2.032 20 0 GEADRO Cc1cc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)n(C(C)(C)C)n1 ZINC000826269919 608532567 /nfs/dbraw/zinc/53/25/67/608532567.db2.gz BVWHMZNEYFJKKO-UHFFFAOYSA-N 1 0 394.483 2.344 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1ccnn1C1CCCC1 ZINC000826412322 608534372 /nfs/dbraw/zinc/53/43/72/608534372.db2.gz KGHXRSKUIITIOC-UHFFFAOYSA-N 1 0 392.467 2.396 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000824319213 608548375 /nfs/dbraw/zinc/54/83/75/608548375.db2.gz JGSNZCBCPXATDB-MRXNPFEDSA-N 1 0 387.488 2.458 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cccn2)cc1 ZINC000824570246 608550314 /nfs/dbraw/zinc/55/03/14/608550314.db2.gz MLAUVLDDPDYRSF-AUUYWEPGSA-N 1 0 375.436 2.437 20 0 GEADRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cc1O ZINC000826202598 608569724 /nfs/dbraw/zinc/56/97/24/608569724.db2.gz FRRGIPMUFSFWCI-UHFFFAOYSA-N 1 0 396.451 2.456 20 0 GEADRO COc1ccc([C@@H](C)C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000826188099 608581272 /nfs/dbraw/zinc/58/12/72/608581272.db2.gz NOTLJUZEKYZRNX-HNNXBMFYSA-N 1 0 379.468 2.196 20 0 GEADRO CCC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000825254525 608590802 /nfs/dbraw/zinc/59/08/02/608590802.db2.gz TWDIMIFOFFBAAS-QGZVFWFLSA-N 1 0 379.468 2.322 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824909794 608608108 /nfs/dbraw/zinc/60/81/08/608608108.db2.gz UYJPVHGWJRUDKY-BFYDXBDKSA-N 1 0 380.500 2.352 20 0 GEADRO C[C@@]1(CCCO)CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000824817169 608640900 /nfs/dbraw/zinc/64/09/00/608640900.db2.gz LMZLRQJXLVNARJ-KRWDZBQOSA-N 1 0 378.864 2.086 20 0 GEADRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826455088 608660957 /nfs/dbraw/zinc/66/09/57/608660957.db2.gz YNJLLOQEJATIDJ-UHFFFAOYSA-N 1 0 384.465 2.485 20 0 GEADRO C[N@H+](CCN1CCN(Cc2cc(-c3nn[nH]n3)cs2)CC1)Cc1ccccc1 ZINC000825937353 608682250 /nfs/dbraw/zinc/68/22/50/608682250.db2.gz ANBVKBVMSXGRQS-UHFFFAOYSA-N 1 0 397.552 2.178 20 0 GEADRO CC(C)c1nc(CN(C)[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)cs3)C2)no1 ZINC000824358721 608739774 /nfs/dbraw/zinc/73/97/74/608739774.db2.gz OYCNHAWYFYNILH-ZDUSSCGKSA-N 1 0 388.501 2.141 20 0 GEADRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826050942 608751760 /nfs/dbraw/zinc/75/17/60/608751760.db2.gz INORTKYVHFLIGL-HNNXBMFYSA-N 1 0 394.479 2.260 20 0 GEADRO C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824594192 609139561 /nfs/dbraw/zinc/13/95/61/609139561.db2.gz XYQLDWZVZOUWAR-LBPRGKRZSA-N 1 0 384.415 2.182 20 0 GEADRO Cc1cc(C(=O)N(CC[NH+](C)C)CC(C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257567 609162949 /nfs/dbraw/zinc/16/29/49/609162949.db2.gz HLQFNVSBQIEWFF-UHFFFAOYSA-N 1 0 396.499 2.021 20 0 GEADRO CC(C)(C)[NH+]1CCC(N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824093714 609166706 /nfs/dbraw/zinc/16/67/06/609166706.db2.gz LDSNONVNBJONBU-SFHVURJKSA-N 1 0 397.527 2.215 20 0 GEADRO Cc1ncc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826329564 609169932 /nfs/dbraw/zinc/16/99/32/609169932.db2.gz ILNVACZQXADWCP-UGSOOPFHSA-N 1 0 392.467 2.120 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000824206786 609170012 /nfs/dbraw/zinc/17/00/12/609170012.db2.gz IWSAURYFSNWVMR-KRWDZBQOSA-N 1 0 386.500 2.118 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825452848 609203993 /nfs/dbraw/zinc/20/39/93/609203993.db2.gz RJDKHLFXKGTVPY-INIZCTEOSA-N 1 0 395.467 2.027 20 0 GEADRO O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000826398011 609209420 /nfs/dbraw/zinc/20/94/20/609209420.db2.gz OMVKITWSRGVWDD-IBGZPJMESA-N 1 0 398.511 2.015 20 0 GEADRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824662725 609247204 /nfs/dbraw/zinc/24/72/04/609247204.db2.gz QFKJTPSNRCWWFS-LIRRHRJNSA-N 1 0 391.479 2.490 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C=Cc1ccc(O)cc1 ZINC000825866036 609268865 /nfs/dbraw/zinc/26/88/65/609268865.db2.gz PUHLUUUUIKQBCG-DHZHZOJOSA-N 1 0 392.463 2.176 20 0 GEADRO O=c1cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c2ccc(O)cc2o1 ZINC000826502216 609282161 /nfs/dbraw/zinc/28/21/61/609282161.db2.gz ZILMVXGULBYFFX-UHFFFAOYSA-N 1 0 375.388 2.458 20 0 GEADRO O[C@]1(c2ccc(F)cc2)CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826505958 609282679 /nfs/dbraw/zinc/28/26/79/609282679.db2.gz JECHFAFTRWIYAQ-HXUWFJFHSA-N 1 0 383.427 2.368 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@@H]1C1CCOCC1)Nc1sccc1-c1nn[nH]n1 ZINC000826407355 609284351 /nfs/dbraw/zinc/28/43/51/609284351.db2.gz KGPUELLXAXPVNI-CQSZACIVSA-N 1 0 376.486 2.148 20 0 GEADRO C[N@@H+]1CCCC12CCN(C(=O)CSCc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826034847 609285058 /nfs/dbraw/zinc/28/50/58/609285058.db2.gz XJIABZQUUVYUBN-UHFFFAOYSA-N 1 0 386.525 2.187 20 0 GEADRO COC[C@H](C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)OC ZINC000826150064 609319714 /nfs/dbraw/zinc/31/97/14/609319714.db2.gz VJHFNMGBKMCLCQ-SFHVURJKSA-N 1 0 383.452 2.197 20 0 GEADRO Cn1cc(C[NH2+]CCN2CCCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361903 609336075 /nfs/dbraw/zinc/33/60/75/609336075.db2.gz VIGUHAXCBSMUGF-UHFFFAOYSA-N 1 0 380.500 2.233 20 0 GEADRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](C)C1 ZINC000824945492 609336802 /nfs/dbraw/zinc/33/68/02/609336802.db2.gz CZGKQOAKOQZEAA-JKSUJKDBSA-N 1 0 394.527 2.477 20 0 GEADRO CC(C)C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N(C)C ZINC000824238081 609336864 /nfs/dbraw/zinc/33/68/64/609336864.db2.gz ZOUDMNLBOUHUDN-GOSISDBHSA-N 1 0 382.516 2.333 20 0 GEADRO CSC1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000826227619 609339739 /nfs/dbraw/zinc/33/97/39/609339739.db2.gz UNVRMMYYJIRODD-UHFFFAOYSA-N 1 0 399.524 2.269 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H]2CCCn3ccnc32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361298 609341958 /nfs/dbraw/zinc/34/19/58/609341958.db2.gz SAUXBRFOGLWFGR-INIZCTEOSA-N 1 0 389.467 2.131 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824261389 609342148 /nfs/dbraw/zinc/34/21/48/609342148.db2.gz JHKRNJONKSHUPI-LJQANCHMSA-N 1 0 394.527 2.477 20 0 GEADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545584 609343556 /nfs/dbraw/zinc/34/35/56/609343556.db2.gz DDGIKPRZNMKKQR-MJXNMMHHSA-N 1 0 388.491 2.424 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000823820178 609357183 /nfs/dbraw/zinc/35/71/83/609357183.db2.gz BLPVACXHFKKUNI-AWEZNQCLSA-N 1 0 377.290 2.299 20 0 GEADRO CN(Cc1ccc(-c2nn[nH]n2)cc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000826029161 609361301 /nfs/dbraw/zinc/36/13/01/609361301.db2.gz PTXHSXNHNQCDEY-GFCCVEGCSA-N 1 0 379.306 2.403 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825000519 609361781 /nfs/dbraw/zinc/36/17/81/609361781.db2.gz RQLKILULJQGJIH-BXUZGUMPSA-N 1 0 377.290 2.298 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000823820552 609362537 /nfs/dbraw/zinc/36/25/37/609362537.db2.gz HIXPGQKATLPHKV-UHFFFAOYSA-N 1 0 389.261 2.127 20 0 GEADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000826513611 609367390 /nfs/dbraw/zinc/36/73/90/609367390.db2.gz QHEVUSBMTBNAKA-XUVXKRRUSA-N 1 0 394.523 2.378 20 0 GEADRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000824223447 609375561 /nfs/dbraw/zinc/37/55/61/609375561.db2.gz JSIQLRMIAAYPSO-OAHLLOKOSA-N 1 0 378.864 2.206 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825856598 609378361 /nfs/dbraw/zinc/37/83/61/609378361.db2.gz YAYRCHLVSBZUGH-CQSZACIVSA-N 1 0 378.436 2.435 20 0 GEADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNc2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000826507870 609388814 /nfs/dbraw/zinc/38/88/14/609388814.db2.gz XOVVMCQVTMIUFQ-OAHLLOKOSA-N 1 0 386.406 2.324 20 0 GEADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1N1CCOCC1 ZINC000825942076 609407680 /nfs/dbraw/zinc/40/76/80/609407680.db2.gz VHIJVVMPEFDVIF-UHFFFAOYSA-N 1 0 394.479 2.214 20 0 GEADRO COCc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826164972 609412685 /nfs/dbraw/zinc/41/26/85/609412685.db2.gz ZCCHXTLBVWBSPV-LJQANCHMSA-N 1 0 392.463 2.298 20 0 GEADRO O=C1[C@@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476789 609417334 /nfs/dbraw/zinc/41/73/34/609417334.db2.gz PJFXJLPXKRUAOQ-AEFFLSMTSA-N 1 0 396.495 2.444 20 0 GEADRO OC[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1F ZINC000826507530 609425624 /nfs/dbraw/zinc/42/56/24/609425624.db2.gz QEGSRHFITXKQOV-MRXNPFEDSA-N 1 0 375.379 2.237 20 0 GEADRO C[C@H](CNc1nc2ccccn2c1-c1nn[nH]n1)[N@@H+]1CCc2sccc2C1 ZINC000824435709 609458600 /nfs/dbraw/zinc/45/86/00/609458600.db2.gz ORPLWLKTLKIERH-GFCCVEGCSA-N 1 0 380.481 2.435 20 0 GEADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)nc2)CC1 ZINC000826033926 609489417 /nfs/dbraw/zinc/48/94/17/609489417.db2.gz LENPBWQYADSUIO-UHFFFAOYSA-N 1 0 394.439 2.223 20 0 GEADRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000826429353 609496315 /nfs/dbraw/zinc/49/63/15/609496315.db2.gz AQYMVLMDUJSQEI-KBAYOESNSA-N 1 0 391.479 2.225 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000826334983 609500762 /nfs/dbraw/zinc/50/07/62/609500762.db2.gz SAFGLUFZSOBXSE-SFHVURJKSA-N 1 0 394.483 2.140 20 0 GEADRO c1cn(C[NH+]2CCC([C@H]3CCOC3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826513128 609501788 /nfs/dbraw/zinc/50/17/88/609501788.db2.gz ASWNWXMSHOFJTJ-SFHVURJKSA-N 1 0 379.468 2.436 20 0 GEADRO CC1([C@H]2CCC[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)OCCO1 ZINC000824817440 609501926 /nfs/dbraw/zinc/50/19/26/609501926.db2.gz OEOUIPUNAISNTM-KRWDZBQOSA-N 1 0 395.467 2.163 20 0 GEADRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826389003 609506393 /nfs/dbraw/zinc/50/63/93/609506393.db2.gz OBGGQUQMFVOSQJ-OAHLLOKOSA-N 1 0 390.369 2.072 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000824936036 609538457 /nfs/dbraw/zinc/53/84/57/609538457.db2.gz DNUAZWGBQLNLPX-VXGBXAGGSA-N 1 0 398.920 2.061 20 0 GEADRO COc1cccc([C@H](C)[NH+]2CCN(c3nccc(C)c3-c3nn[nH]n3)CC2)c1 ZINC000826214481 609549005 /nfs/dbraw/zinc/54/90/05/609549005.db2.gz MWKVEOSNZFYMPG-HNNXBMFYSA-N 1 0 379.468 2.462 20 0 GEADRO O=C1[C@H](Nc2cc[nH+]c3ccccc23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477396 609577591 /nfs/dbraw/zinc/57/75/91/609577591.db2.gz BVSHPBADZXDXRF-LJQANCHMSA-N 1 0 385.431 2.444 20 0 GEADRO COc1ccsc1C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826221389 609601410 /nfs/dbraw/zinc/60/14/10/609601410.db2.gz CGCWLDBBLZPCIG-AWEZNQCLSA-N 1 0 384.465 2.222 20 0 GEADRO CSc1ccccc1S(=O)(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000446815257 649989185 /nfs/dbraw/zinc/98/91/85/649989185.db2.gz RZNXTBSDZIJKPZ-UHFFFAOYSA-N 1 0 379.507 2.370 20 0 GEADRO O=C(NCC[NH+]1CCC1)NCc1ccc(Cl)cc1I ZINC000446862644 649989773 /nfs/dbraw/zinc/98/97/73/649989773.db2.gz RXLTZZLAKDLJBF-UHFFFAOYSA-N 1 0 393.656 2.450 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000447156011 649999761 /nfs/dbraw/zinc/99/97/61/649999761.db2.gz ZQDSAFOFAZKWON-JTQLQIEISA-N 1 0 386.677 2.394 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000447156012 649999820 /nfs/dbraw/zinc/99/98/20/649999820.db2.gz ZQDSAFOFAZKWON-SNVBAGLBSA-N 1 0 386.677 2.394 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)C[C@@H]21 ZINC000447246459 650003293 /nfs/dbraw/zinc/00/32/93/650003293.db2.gz GNJFXPPTLYGXJV-BYCMXARLSA-N 1 0 378.416 2.376 20 0 GEADRO [NH3+][C@H](CNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)C1CC1 ZINC000447246945 650003297 /nfs/dbraw/zinc/00/32/97/650003297.db2.gz HYUJHCGRSDNXFV-CYBMUJFWSA-N 1 0 384.395 2.119 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000447246854 650003308 /nfs/dbraw/zinc/00/33/08/650003308.db2.gz HNXURQSLISVZND-DTWKUNHWSA-N 1 0 397.722 2.469 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1Cl ZINC000447252782 650004116 /nfs/dbraw/zinc/00/41/16/650004116.db2.gz TVCITLZZOSEEOV-OIBJUYFYSA-N 1 0 383.695 2.079 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)c(F)cc3F)C[C@@H]21 ZINC000447254733 650004117 /nfs/dbraw/zinc/00/41/17/650004117.db2.gz HSIHWVLUUCCVMC-MWODSPESSA-N 1 0 395.269 2.475 20 0 GEADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(S(N)(=O)=O)s3)cccc21 ZINC000447722951 650008332 /nfs/dbraw/zinc/00/83/32/650008332.db2.gz MGDVSWRDJVSVHS-GFCCVEGCSA-N 1 0 381.479 2.033 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1OC ZINC000447868947 650009892 /nfs/dbraw/zinc/00/98/92/650009892.db2.gz NZEQXYLXCQEZNP-UHFFFAOYSA-N 1 0 376.906 2.320 20 0 GEADRO CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000448024364 650013092 /nfs/dbraw/zinc/01/30/92/650013092.db2.gz XZKDOBFAPHNZAH-LBPRGKRZSA-N 1 0 386.290 2.384 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1cccnc1-n1cc(Br)cn1)C1CC1 ZINC000448748620 650020560 /nfs/dbraw/zinc/02/05/60/650020560.db2.gz LVJFSQOSIYUXHF-AWEZNQCLSA-N 1 0 378.274 2.100 20 0 GEADRO COc1nccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)n1 ZINC000449118074 650031911 /nfs/dbraw/zinc/03/19/11/650031911.db2.gz WQSWDGDBYZCLHD-UHFFFAOYSA-N 1 0 379.258 2.157 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cnccn1 ZINC000449206103 650034288 /nfs/dbraw/zinc/03/42/88/650034288.db2.gz PIPPQINBPODIHO-GFCCVEGCSA-N 1 0 393.285 2.085 20 0 GEADRO COC(=O)Cn1cc(C[NH2+][C@H](C)Cc2cc(Br)ccc2F)nn1 ZINC000449213217 650034334 /nfs/dbraw/zinc/03/43/34/650034334.db2.gz UVIXXSNWBSZCLO-SNVBAGLBSA-N 1 0 385.237 2.074 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449220193 650034644 /nfs/dbraw/zinc/03/46/44/650034644.db2.gz GHIHSKBKUGCHEO-SMDDNHRTSA-N 1 0 379.295 2.396 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449216836 650034741 /nfs/dbraw/zinc/03/47/41/650034741.db2.gz VNQAFJZIIVSCOO-MRXNPFEDSA-N 1 0 379.551 2.442 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000449234572 650034966 /nfs/dbraw/zinc/03/49/66/650034966.db2.gz QPNAVRSACODNKG-RKLWJJNISA-N 1 0 397.313 2.165 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1 ZINC000449237256 650035031 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O=c1ccc(Br)cn1CC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000449373076 650039190 /nfs/dbraw/zinc/03/91/90/650039190.db2.gz BFJSKNOJAKALKA-UHFFFAOYSA-N 1 0 391.313 2.260 20 0 GEADRO COC[C@](C)(O)CC[NH2+]Cc1ncc(Br)cc1Br ZINC000449387966 650039592 /nfs/dbraw/zinc/03/95/92/650039592.db2.gz YTJMIJQVGWFTKL-GFCCVEGCSA-N 1 0 382.096 2.484 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000449440236 650040660 /nfs/dbraw/zinc/04/06/60/650040660.db2.gz BBBZHSBJMMIVJD-PWSUYJOCSA-N 1 0 381.311 2.437 20 0 GEADRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000449463161 650041219 /nfs/dbraw/zinc/04/12/19/650041219.db2.gz WGZOGEYBRIFDPH-MAUKXSAKSA-N 1 0 399.329 2.427 20 0 GEADRO CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449686632 650045561 /nfs/dbraw/zinc/04/55/61/650045561.db2.gz XOAPOVCDLACQKR-IUODEOHRSA-N 1 0 387.293 2.386 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ccnc(OC)n1 ZINC000449686558 650045586 /nfs/dbraw/zinc/04/55/86/650045586.db2.gz 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C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(F)c(I)c1 ZINC000453105157 650205924 /nfs/dbraw/zinc/20/59/24/650205924.db2.gz FFRMZKZUHIRCHJ-YPMHNXCESA-N 1 0 391.272 2.327 20 0 GEADRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)CCOCC1 ZINC000453148090 650206493 /nfs/dbraw/zinc/20/64/93/650206493.db2.gz OSMSWJCSUOEGPK-KGLIPLIRSA-N 1 0 388.302 2.363 20 0 GEADRO COC1([C@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)CCOCC1 ZINC000453148084 650206511 /nfs/dbraw/zinc/20/65/11/650206511.db2.gz OSMSWJCSUOEGPK-KBPBESRZSA-N 1 0 388.302 2.363 20 0 GEADRO CO[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C12CCC2 ZINC000453204011 650206636 /nfs/dbraw/zinc/20/66/36/650206636.db2.gz BIATYLAMFSQJKY-GJZGRUSLSA-N 1 0 376.881 2.305 20 0 GEADRO CO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C12CCC2 ZINC000453204016 650206675 /nfs/dbraw/zinc/20/66/75/650206675.db2.gz BIATYLAMFSQJKY-LSDHHAIUSA-N 1 0 376.881 2.305 20 0 GEADRO Cc1c([C@@H](C)[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cnn1-c1cccc(Cl)c1 ZINC000453274696 650207729 /nfs/dbraw/zinc/20/77/29/650207729.db2.gz KZXDNIBRWBVFAR-SJKOYZFVSA-N 1 0 383.901 2.034 20 0 GEADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000453352331 650208520 /nfs/dbraw/zinc/20/85/20/650208520.db2.gz HNELBCDGOZSMFG-KGLIPLIRSA-N 1 0 385.281 2.399 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453560074 650209128 /nfs/dbraw/zinc/20/91/28/650209128.db2.gz GRVXVEOSOHIAGT-UHFFFAOYSA-N 1 0 379.258 2.004 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453647286 650212132 /nfs/dbraw/zinc/21/21/32/650212132.db2.gz AVKWKMOMYUXHBP-GHMZBOCLSA-N 1 0 386.265 2.434 20 0 GEADRO C[C@@]1(C[NH2+]Cc2c(F)ccc(I)c2F)CCC(=O)N1 ZINC000453589196 650209591 /nfs/dbraw/zinc/20/95/91/650209591.db2.gz MQFYQXIVEYOMAR-ZDUSSCGKSA-N 1 0 380.176 2.328 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000453631926 650211156 /nfs/dbraw/zinc/21/11/56/650211156.db2.gz PGEXYHQHLFCRST-CQSZACIVSA-N 1 0 395.301 2.178 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc2c(Br)ccnc12)C1CC1 ZINC000453643915 650211842 /nfs/dbraw/zinc/21/18/42/650211842.db2.gz LSFYZWYYYOQBGD-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000453681383 650215283 /nfs/dbraw/zinc/21/52/83/650215283.db2.gz ZTNQAOWULWYIJU-QWHCGFSZSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000453693615 650216294 /nfs/dbraw/zinc/21/62/94/650216294.db2.gz NVARLRJCKHUNIK-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000453696356 650216996 /nfs/dbraw/zinc/21/69/96/650216996.db2.gz HTGWNEBKDGIFIY-PWSUYJOCSA-N 1 0 386.265 2.434 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000453715178 650218952 /nfs/dbraw/zinc/21/89/52/650218952.db2.gz XQSWZATZCSQVEI-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000453811018 650228460 /nfs/dbraw/zinc/22/84/60/650228460.db2.gz ZJOKORDXGAMZNN-LLVKDONJSA-N 1 0 392.258 2.034 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1Cl ZINC000453812748 650228474 /nfs/dbraw/zinc/22/84/74/650228474.db2.gz ANYDHBNZWAEQDN-LBPRGKRZSA-N 1 0 388.295 2.203 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453774158 650225736 /nfs/dbraw/zinc/22/57/36/650225736.db2.gz WDDFPTVTFRSGEA-KGLIPLIRSA-N 1 0 395.301 2.176 20 0 GEADRO CC[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C(F)F ZINC000453800143 650227714 /nfs/dbraw/zinc/22/77/14/650227714.db2.gz ZSYIWIIKHLBPCI-LBPRGKRZSA-N 1 0 377.819 2.379 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]21 ZINC000453943249 650238896 /nfs/dbraw/zinc/23/88/96/650238896.db2.gz WLTAQCCBJPTKGC-RNCFNFMXSA-N 1 0 375.778 2.460 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1)[NH+](C)C ZINC000453955268 650239743 /nfs/dbraw/zinc/23/97/43/650239743.db2.gz JUTUWPJRIVBZIH-JTQLQIEISA-N 1 0 384.267 2.184 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)NC1CCC(CS(C)(=O)=O)CC1)C(C)(C)C ZINC000454522155 650268683 /nfs/dbraw/zinc/26/86/83/650268683.db2.gz QUCKEQJSCNKBJF-UYSNPLJNSA-N 1 0 375.579 2.255 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC/C=C\c2ccc(Br)cc2)C1 ZINC000454540790 650269033 /nfs/dbraw/zinc/26/90/33/650269033.db2.gz JYFSCINBZVNFQR-RXYHWBRQSA-N 1 0 382.302 2.482 20 0 GEADRO C[C@@H](CNC(=O)NCCn1cc(Br)ccc1=O)C[NH+]1CCCCC1 ZINC000454622136 650273680 /nfs/dbraw/zinc/27/36/80/650273680.db2.gz OZVWYVCHZTUOMH-AWEZNQCLSA-N 1 0 399.333 2.032 20 0 GEADRO COc1cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccc1Br ZINC000454938852 650284289 /nfs/dbraw/zinc/28/42/89/650284289.db2.gz TUGOYGUGBSSXER-CYBMUJFWSA-N 1 0 386.290 2.426 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cncc(Br)c2)CC1 ZINC000455027767 650287443 /nfs/dbraw/zinc/28/74/43/650287443.db2.gz WIGWJGFKLWUQFC-UHFFFAOYSA-N 1 0 384.322 2.382 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@@H]1CCC(=O)NC1 ZINC000455115111 650290985 /nfs/dbraw/zinc/29/09/85/650290985.db2.gz HCEATSRGOILJSK-HNNXBMFYSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455530326 650307516 /nfs/dbraw/zinc/30/75/16/650307516.db2.gz YEJDUZZQSLRNOO-RRQGHBQHSA-N 1 0 380.330 2.305 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@H]1[NH+](C)C ZINC000455607462 650308973 /nfs/dbraw/zinc/30/89/73/650308973.db2.gz BQQQJMQQEOMZOJ-IUODEOHRSA-N 1 0 392.301 3.049 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000456105820 650330822 /nfs/dbraw/zinc/33/08/22/650330822.db2.gz NGDHLNGVQYMBTI-WPGHFRTFSA-N 1 0 385.302 2.147 20 0 GEADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(I)cn1 ZINC000456029306 650327972 /nfs/dbraw/zinc/32/79/72/650327972.db2.gz DYTURWBLSSRRBJ-UHFFFAOYSA-N 1 0 385.249 2.433 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(I)cn1 ZINC000456050029 650328677 /nfs/dbraw/zinc/32/86/77/650328677.db2.gz IGLNKGFOCHVDAF-DGCLKSJQSA-N 1 0 385.249 2.385 20 0 GEADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC(=O)N(C)C ZINC000456373916 650338157 /nfs/dbraw/zinc/33/81/57/650338157.db2.gz PLBYIJYHZRUOQS-GFCCVEGCSA-N 1 0 397.317 2.006 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000456314740 650336911 /nfs/dbraw/zinc/33/69/11/650336911.db2.gz WCTBCDKRDORHAI-OCCSQVGLSA-N 1 0 382.302 2.422 20 0 GEADRO CC[N@H+](CC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1)C1CC1 ZINC000456475034 650341555 /nfs/dbraw/zinc/34/15/55/650341555.db2.gz AWQWRCXKFHNWCL-AWEZNQCLSA-N 1 0 399.329 2.209 20 0 GEADRO CC[C@@H](C)[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000456546067 650347758 /nfs/dbraw/zinc/34/77/58/650347758.db2.gz HZRDBXIASPVZTO-CYBMUJFWSA-N 1 0 382.302 2.122 20 0 GEADRO CC[NH+](CC)CC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456709952 650356492 /nfs/dbraw/zinc/35/64/92/650356492.db2.gz GAGYUCYJQIRCQX-ZDUSSCGKSA-N 1 0 375.282 2.197 20 0 GEADRO CSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000500224831 650373085 /nfs/dbraw/zinc/37/30/85/650373085.db2.gz CWBUGEKUWJCWDW-LBPRGKRZSA-N 1 0 379.507 2.345 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000457057187 650373186 /nfs/dbraw/zinc/37/31/86/650373186.db2.gz UUWLYZGWRWPRCQ-UHFFFAOYSA-N 1 0 388.331 2.231 20 0 GEADRO Cc1cc(Br)c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000457519141 650380284 /nfs/dbraw/zinc/38/02/84/650380284.db2.gz KHVXGTLHWJFSID-LLVKDONJSA-N 1 0 388.331 2.136 20 0 GEADRO Cc1nc(NCC[C@@H](O)C(F)(F)F)cc(NCC[C@@H](O)C(F)(F)F)[nH+]1 ZINC000540975352 650375138 /nfs/dbraw/zinc/37/51/38/650375138.db2.gz UPFZCXMYBUUKGY-RKDXNWHRSA-N 1 0 376.301 2.235 20 0 GEADRO COc1sc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1Br ZINC000500460088 650377629 /nfs/dbraw/zinc/37/76/29/650377629.db2.gz HCIUZRYJWHNAQH-CABZTGNLSA-N 1 0 397.360 2.327 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC1CC[NH+](C)CC1 ZINC000457446824 650379180 /nfs/dbraw/zinc/37/91/80/650379180.db2.gz CXHZGJIOJLOHAG-AWEZNQCLSA-N 1 0 398.345 2.302 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000500492815 650379375 /nfs/dbraw/zinc/37/93/75/650379375.db2.gz BORUPPHDIJIOBQ-JSGCOSHPSA-N 1 0 380.432 2.435 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000457485764 650379919 /nfs/dbraw/zinc/37/99/19/650379919.db2.gz SHVWCTFADCFVES-OAHLLOKOSA-N 1 0 398.280 2.424 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000500570355 650380715 /nfs/dbraw/zinc/38/07/15/650380715.db2.gz LVNHLBHJFMZHJG-FZMZJTMJSA-N 1 0 379.295 2.396 20 0 GEADRO O=C(NCCc1ccc(Br)s1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457576471 650381080 /nfs/dbraw/zinc/38/10/80/650381080.db2.gz OYLCPZXEWCOCRN-LBPRGKRZSA-N 1 0 390.347 2.199 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)ccc1F ZINC000500596649 650381233 /nfs/dbraw/zinc/38/12/33/650381233.db2.gz XNSLPAJBANTOHV-QWHCGFSZSA-N 1 0 377.279 2.493 20 0 GEADRO CCN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H](C)CS(=O)(=O)CC ZINC000500667153 650382740 /nfs/dbraw/zinc/38/27/40/650382740.db2.gz LTOGCVRNVPBJIS-INIZCTEOSA-N 1 0 375.579 2.496 20 0 GEADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC)[C@H](C)CS(=O)(=O)CC ZINC000500863359 650383639 /nfs/dbraw/zinc/38/36/39/650383639.db2.gz RWBYCRHIJOKHSZ-IAGOWNOFSA-N 1 0 375.579 2.496 20 0 GEADRO NC(=O)C[C@@H]([NH2+]Cc1c(F)ccc(Br)c1F)C1CCOCC1 ZINC000501014315 650386165 /nfs/dbraw/zinc/38/61/65/650386165.db2.gz KDGVXXBTBTYPDR-CYBMUJFWSA-N 1 0 377.229 2.488 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000501256110 650388536 /nfs/dbraw/zinc/38/85/36/650388536.db2.gz ZZSXTRCXKIKTRQ-GJZGRUSLSA-N 1 0 387.571 2.138 20 0 GEADRO O=C(NCc1cc(F)ccc1Br)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457914168 650389437 /nfs/dbraw/zinc/38/94/37/650389437.db2.gz IRYYGLOUVPBZAF-AWEZNQCLSA-N 1 0 388.281 2.234 20 0 GEADRO O=C(NCc1ccc(F)cc1Br)NC[C@H]1CCCC[N@H+]1CCO ZINC000457942979 650389923 /nfs/dbraw/zinc/38/99/23/650389923.db2.gz XKUCLAYVJDKTHG-CQSZACIVSA-N 1 0 388.281 2.234 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000458004747 650392093 /nfs/dbraw/zinc/39/20/93/650392093.db2.gz DSLIJNBSMYYVBD-HOCLYGCPSA-N 1 0 398.345 2.302 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458366755 650400722 /nfs/dbraw/zinc/40/07/22/650400722.db2.gz CSASZAKJWKGYJT-INIZCTEOSA-N 1 0 384.318 2.404 20 0 GEADRO CC[NH+](CC)CC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458135954 650397020 /nfs/dbraw/zinc/39/70/20/650397020.db2.gz IRRXDUAGKKBSJX-CYBMUJFWSA-N 1 0 375.282 2.197 20 0 GEADRO CCC[N@H+](C)CC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458162871 650398466 /nfs/dbraw/zinc/39/84/66/650398466.db2.gz YHIHMSYTBVKRKK-ZDUSSCGKSA-N 1 0 375.282 2.197 20 0 GEADRO Cc1cc(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000458347206 650400492 /nfs/dbraw/zinc/40/04/92/650400492.db2.gz SLJGSCFBLPZPFW-AWEZNQCLSA-N 1 0 383.334 2.193 20 0 GEADRO C[NH+](C)CCOCCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000502605318 650409144 /nfs/dbraw/zinc/40/91/44/650409144.db2.gz XNYSPTSCDFAOMW-UHFFFAOYSA-N 1 0 380.233 2.105 20 0 GEADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000458719313 650409169 /nfs/dbraw/zinc/40/91/69/650409169.db2.gz VVCGKKSPSOQPFI-AWEZNQCLSA-N 1 0 387.933 2.369 20 0 GEADRO CC(C)(NC(=O)NCC[N@@H+]1CCCOCC1)c1nc(C(F)(F)F)cs1 ZINC000458837536 650411411 /nfs/dbraw/zinc/41/14/11/650411411.db2.gz GIRRPYRPTJBPCF-UHFFFAOYSA-N 1 0 380.436 2.419 20 0 GEADRO C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000458858447 650412111 /nfs/dbraw/zinc/41/21/11/650412111.db2.gz UFLMTXSLCMLZDA-MEBBXXQBSA-N 1 0 376.270 2.261 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1[NH+](C)C ZINC000503220958 650416454 /nfs/dbraw/zinc/41/64/54/650416454.db2.gz RNNNMRFPVJAPCF-HUUCEWRRSA-N 1 0 395.953 2.133 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1OCC ZINC000503211602 650415887 /nfs/dbraw/zinc/41/58/87/650415887.db2.gz JXMXCXTXTCYJBA-WMLDXEAASA-N 1 0 388.555 2.150 20 0 GEADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000503454846 650418036 /nfs/dbraw/zinc/41/80/36/650418036.db2.gz AEYDOXKKBNNUFY-CVEARBPZSA-N 1 0 385.555 2.139 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000459046062 650418254 /nfs/dbraw/zinc/41/82/54/650418254.db2.gz RNBWLVHPELCQOL-CQSZACIVSA-N 1 0 388.281 2.189 20 0 GEADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000503511955 650419208 /nfs/dbraw/zinc/41/92/08/650419208.db2.gz RPQCMTJXNIGOOM-UWVGGRQHSA-N 1 0 375.803 2.466 20 0 GEADRO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC(N)=O)c1ccc(Br)cc1 ZINC000503523983 650419272 /nfs/dbraw/zinc/41/92/72/650419272.db2.gz UIXREEXAYANUGR-DOMZBBRYSA-N 1 0 382.302 2.356 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000503525191 650419321 /nfs/dbraw/zinc/41/93/21/650419321.db2.gz AWFNCQNXMFOQOR-DGCLKSJQSA-N 1 0 396.843 2.432 20 0 GEADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1SCC)[C@H]1CCS(=O)(=O)C1 ZINC000503524168 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20 0 GEADRO O=S(=O)(c1cncc(Cl)c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000503875899 650423899 /nfs/dbraw/zinc/42/38/99/650423899.db2.gz SJOFQAKSEIGQDI-UHFFFAOYSA-N 1 0 387.933 2.248 20 0 GEADRO CCOc1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc(Br)c1O ZINC000459435752 650424285 /nfs/dbraw/zinc/42/42/85/650424285.db2.gz PEQHHLWVIZKTBA-NSHDSACASA-N 1 0 378.288 2.220 20 0 GEADRO Cc1cc(C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)ccc1Br ZINC000459441890 650424444 /nfs/dbraw/zinc/42/44/44/650424444.db2.gz BSUGEJCYRNTTNP-UHFFFAOYSA-N 1 0 392.301 2.472 20 0 GEADRO Cc1ccc(C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)cc1Br ZINC000459453612 650424942 /nfs/dbraw/zinc/42/49/42/650424942.db2.gz SRFKNFJIIVMSQZ-UHFFFAOYSA-N 1 0 392.301 2.472 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ncc(Br)cc1S(N)(=O)=O ZINC000504041723 650425911 /nfs/dbraw/zinc/42/59/11/650425911.db2.gz KJOIJQWHUKZRNI-GHMZBOCLSA-N 1 0 391.335 2.166 20 0 GEADRO Cc1cc(OCCC[C@H](C)[NH2+]CCNS(=O)(=O)N(C)C)ccc1Cl ZINC000459529959 650427461 /nfs/dbraw/zinc/42/74/61/650427461.db2.gz AGXJFXJTCNIEDL-AWEZNQCLSA-N 1 0 377.938 2.182 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H]1SC ZINC000459543542 650428200 /nfs/dbraw/zinc/42/82/00/650428200.db2.gz MOMIBZWMQJRKQJ-GZBFAFLISA-N 1 0 396.937 2.256 20 0 GEADRO O=S(=O)(NCCNC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000459547314 650428413 /nfs/dbraw/zinc/42/84/13/650428413.db2.gz VIQDKGQFWBKGAO-UHFFFAOYSA-N 1 0 392.352 2.488 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](CO)c1ccnn1C ZINC000459702798 650430037 /nfs/dbraw/zinc/43/00/37/650430037.db2.gz FVXBZGAZKVBKPV-BXUZGUMPSA-N 1 0 381.274 2.223 20 0 GEADRO COCCN1CC[C@@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)C1 ZINC000459716774 650431368 /nfs/dbraw/zinc/43/13/68/650431368.db2.gz ZZWVYWDNJZXCHF-WMLDXEAASA-N 1 0 389.309 2.050 20 0 GEADRO OCC1([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCSCC1 ZINC000459721427 650431575 /nfs/dbraw/zinc/43/15/75/650431575.db2.gz YIDATJGGBHKTJX-CYBMUJFWSA-N 1 0 376.316 2.037 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000504982465 650434141 /nfs/dbraw/zinc/43/41/41/650434141.db2.gz GEELCTMWYQVTKM-CQSZACIVSA-N 1 0 381.782 2.469 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000505072328 650434444 /nfs/dbraw/zinc/43/44/44/650434444.db2.gz VMBDLLXQEKTWHY-LLVKDONJSA-N 1 0 391.256 2.185 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(Br)o1 ZINC000459897183 650434948 /nfs/dbraw/zinc/43/49/48/650434948.db2.gz GAQZKGPXVLGIQC-UHFFFAOYSA-N 1 0 388.306 2.047 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccccc1Br ZINC000460142764 650439673 /nfs/dbraw/zinc/43/96/73/650439673.db2.gz KVESLSSVVNHNHP-UHFFFAOYSA-N 1 0 385.350 2.474 20 0 GEADRO CN(CC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)C(=O)c1ccc(Br)o1 ZINC000505662799 650439842 /nfs/dbraw/zinc/43/98/42/650439842.db2.gz PNSANKKGHRIFLN-QGZVFWFLSA-N 1 0 398.301 2.058 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000506012514 650442703 /nfs/dbraw/zinc/44/27/03/650442703.db2.gz NYLJUEZQRLCNKZ-CQSZACIVSA-N 1 0 395.301 2.183 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000461546520 650456489 /nfs/dbraw/zinc/45/64/89/650456489.db2.gz SPZYZSWFOOZPMT-AWEZNQCLSA-N 1 0 389.949 2.245 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000461620857 650457250 /nfs/dbraw/zinc/45/72/50/650457250.db2.gz YPFCJGWVYSELGS-CQSZACIVSA-N 1 0 389.949 2.245 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)CCc1ccccc1Br ZINC000462090835 650467084 /nfs/dbraw/zinc/46/70/84/650467084.db2.gz QSCDJZXJCWQURS-ZDUSSCGKSA-N 1 0 375.332 2.347 20 0 GEADRO C[C@@H](CNS(=O)(=O)CCc1ccccc1Br)[N@H+](C)C1CC1 ZINC000462099630 650468323 /nfs/dbraw/zinc/46/83/23/650468323.db2.gz GGPGWKRTTKOFQG-LBPRGKRZSA-N 1 0 375.332 2.394 20 0 GEADRO CCOCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000508032006 650472780 /nfs/dbraw/zinc/47/27/80/650472780.db2.gz WKNDGROEFDBCDP-UHFFFAOYSA-N 1 0 382.448 2.435 20 0 GEADRO CCOC(=O)CCCS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462309279 650474381 /nfs/dbraw/zinc/47/43/81/650474381.db2.gz CARYQAHGDRDEAK-RHSMWYFYSA-N 1 0 388.555 2.394 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462395583 650477978 /nfs/dbraw/zinc/47/79/78/650477978.db2.gz MWXXDCNQGXPHNR-MLGOLLRUSA-N 1 0 399.276 2.304 20 0 GEADRO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](CC3CC3)CC2)n1C ZINC000508423619 650480377 /nfs/dbraw/zinc/48/03/77/650480377.db2.gz UEMZWQUATNBTDY-UHFFFAOYSA-N 1 0 379.306 2.115 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(I)c2)CC[N@@H+]1C ZINC000462487771 650481854 /nfs/dbraw/zinc/48/18/54/650481854.db2.gz GGVGSDKRHJHNIA-ZYHUDNBSSA-N 1 0 394.278 2.052 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000462493731 650482009 /nfs/dbraw/zinc/48/20/09/650482009.db2.gz VIWMKDFDPNYWAE-UHFFFAOYSA-N 1 0 393.347 2.313 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cncc(Br)c1 ZINC000462568548 650484521 /nfs/dbraw/zinc/48/45/21/650484521.db2.gz FDEUDXLNIXGCTI-AWEZNQCLSA-N 1 0 388.331 2.387 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000508986343 650485337 /nfs/dbraw/zinc/48/53/37/650485337.db2.gz SODGQFCEHMSLMN-GFCCVEGCSA-N 1 0 384.311 2.397 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000508977124 650485400 /nfs/dbraw/zinc/48/54/00/650485400.db2.gz JKUFKOLBHKNYCS-OLZOCXBDSA-N 1 0 375.416 2.385 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000508987499 650485795 /nfs/dbraw/zinc/48/57/95/650485795.db2.gz MYZGMKCVKRFXKO-ZDUSSCGKSA-N 1 0 398.301 2.387 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCc2ccsc2)c1 ZINC000462762695 650490448 /nfs/dbraw/zinc/49/04/48/650490448.db2.gz NGJGXNNDGJWGQM-UHFFFAOYSA-N 1 0 381.523 2.159 20 0 GEADRO COC(=O)CCNC(=O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509081136 650486345 /nfs/dbraw/zinc/48/63/45/650486345.db2.gz SNWORINVFPHLSG-UHFFFAOYSA-N 1 0 397.313 2.482 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462851920 650491556 /nfs/dbraw/zinc/49/15/56/650491556.db2.gz BVORSMRMOBRMKQ-NEPJUHHUSA-N 1 0 398.301 2.304 20 0 GEADRO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(Br)cc1OCCCO ZINC000463360486 650494243 /nfs/dbraw/zinc/49/42/43/650494243.db2.gz IYQLDZQRNLDBSL-LBPRGKRZSA-N 1 0 385.302 2.482 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000509592009 650496612 /nfs/dbraw/zinc/49/66/12/650496612.db2.gz MAFQDFCUVVKEBJ-GHMZBOCLSA-N 1 0 388.331 2.134 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000509936273 650503740 /nfs/dbraw/zinc/50/37/40/650503740.db2.gz ASTOCYKAUCAPKL-CQSZACIVSA-N 1 0 381.523 2.045 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](C)C[N@@H+]1C ZINC000509634939 650498074 /nfs/dbraw/zinc/49/80/74/650498074.db2.gz QGTPRWGHOWZEMA-RDBSUJKOSA-N 1 0 394.313 2.353 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000465656909 650498627 /nfs/dbraw/zinc/49/86/27/650498627.db2.gz JBLRLSQWSOXACF-RISCZKNCSA-N 1 0 383.290 2.170 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000509723035 650499653 /nfs/dbraw/zinc/49/96/53/650499653.db2.gz VWYXYULFTABBGA-UHFFFAOYSA-N 1 0 390.311 2.036 20 0 GEADRO C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1CCCOC1 ZINC000510104005 650506837 /nfs/dbraw/zinc/50/68/37/650506837.db2.gz WJVXTDFDBMNELW-AWEZNQCLSA-N 1 0 387.311 2.148 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNCc2ncc(I)s2)C[C@H](C)O1 ZINC000510253415 650509404 /nfs/dbraw/zinc/50/94/04/650509404.db2.gz HKKKGRIEYTUMBY-PHIMTYICSA-N 1 0 395.310 2.337 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469398249 650509717 /nfs/dbraw/zinc/50/97/17/650509717.db2.gz UCFVVXWNSJNNPE-SMDDNHRTSA-N 1 0 380.286 2.285 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C[C@@H]1[NH+](C)C ZINC000469490686 650510457 /nfs/dbraw/zinc/51/04/57/650510457.db2.gz WJMVKVRDXSVETM-DGFSRKRXSA-N 1 0 380.286 2.283 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)NCC[N@H+](CC)CCO ZINC000470279437 650512449 /nfs/dbraw/zinc/51/24/49/650512449.db2.gz KSUJXYGPEVHETP-OAHLLOKOSA-N 1 0 386.334 2.384 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000472208436 650519912 /nfs/dbraw/zinc/51/99/12/650519912.db2.gz NSIIGQHPGFIJCR-HNNXBMFYSA-N 1 0 387.571 2.139 20 0 GEADRO C[C@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)N1CC[NH+](C)CC1 ZINC000511049174 650524050 /nfs/dbraw/zinc/52/40/50/650524050.db2.gz SLFXYGPYZHQKKO-GFCCVEGCSA-N 1 0 379.302 2.296 20 0 GEADRO Cc1cc(Cl)ccc1CN1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000511106129 650526213 /nfs/dbraw/zinc/52/62/13/650526213.db2.gz KWTUOQAGKVHGRY-INIZCTEOSA-N 1 0 385.961 2.048 20 0 GEADRO COC(=O)c1ccc(Cl)c(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000511123162 650526851 /nfs/dbraw/zinc/52/68/51/650526851.db2.gz PWIDARAYQGTMGI-CYBMUJFWSA-N 1 0 388.917 2.230 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000474085009 650526874 /nfs/dbraw/zinc/52/68/74/650526874.db2.gz WBEYGDPSSQBYAC-AWEZNQCLSA-N 1 0 380.432 2.403 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000474092736 650527200 /nfs/dbraw/zinc/52/72/00/650527200.db2.gz ACEIUENUPQIPFK-LBPRGKRZSA-N 1 0 382.302 2.168 20 0 GEADRO CC[N@@H+]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000511614050 650539662 /nfs/dbraw/zinc/53/96/62/650539662.db2.gz ZIAMJNBJYLIWJB-SWLSCSKDSA-N 1 0 375.282 2.354 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000511670498 650540521 /nfs/dbraw/zinc/54/05/21/650540521.db2.gz BGVHZNZOEOJEGD-IUCAKERBSA-N 1 0 390.228 2.265 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cscc2Br)CC1 ZINC000511688840 650540897 /nfs/dbraw/zinc/54/08/97/650540897.db2.gz SYBMTCNHMFOGCW-UHFFFAOYSA-N 1 0 388.331 2.183 20 0 GEADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCNc1cc[nH+]cc1 ZINC000512001252 650543833 /nfs/dbraw/zinc/54/38/33/650543833.db2.gz WOOOPKDRRDCCDK-LLVKDONJSA-N 1 0 382.233 2.401 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)c(Br)c1 ZINC000512041937 650544177 /nfs/dbraw/zinc/54/41/77/650544177.db2.gz WAIVQLXKEDRJRY-IUODEOHRSA-N 1 0 391.331 2.265 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(Br)cc2F)CCSC1 ZINC000476316793 650548102 /nfs/dbraw/zinc/54/81/02/650548102.db2.gz CGJVYJUTPZYHDQ-ZDUSSCGKSA-N 1 0 397.335 2.304 20 0 GEADRO Cn1ccnc1N1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000476438455 650549689 /nfs/dbraw/zinc/54/96/89/650549689.db2.gz ULHFATXKVYENDV-UHFFFAOYSA-N 1 0 392.301 2.333 20 0 GEADRO COCc1cnc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000512557852 650550470 /nfs/dbraw/zinc/55/04/70/650550470.db2.gz YWTCELNQRIBOHO-LBPRGKRZSA-N 1 0 387.552 2.151 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)[C@@H](C)C[N@@H+]1C ZINC000512120262 650545675 /nfs/dbraw/zinc/54/56/75/650545675.db2.gz FUUIXKXELSQXGM-WWGRRREGSA-N 1 0 381.929 2.406 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(Br)s1 ZINC000512849717 650555149 /nfs/dbraw/zinc/55/51/49/650555149.db2.gz GBIPQKGJNMDSSU-NXEZZACHSA-N 1 0 382.349 2.103 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1(S(C)(=O)=O)CC1 ZINC000512865019 650555392 /nfs/dbraw/zinc/55/53/92/650555392.db2.gz QRLHQMKFJBVAFF-SNVBAGLBSA-N 1 0 390.299 2.276 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000512992130 650555977 /nfs/dbraw/zinc/55/59/77/650555977.db2.gz JFCSRYOZRKJHPV-QGZVFWFLSA-N 1 0 382.917 2.429 20 0 GEADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000512996426 650556200 /nfs/dbraw/zinc/55/62/00/650556200.db2.gz LXQGNDVVLYWNKR-ZDUSSCGKSA-N 1 0 379.295 2.492 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc(Cl)c1OC ZINC000513007906 650556228 /nfs/dbraw/zinc/55/62/28/650556228.db2.gz YHKNOFQKPRPNAR-CYBMUJFWSA-N 1 0 376.906 2.261 20 0 GEADRO COCCOc1ccc(C[NH2+]CCn2cc(Br)cn2)cc1OC ZINC000513001360 650556401 /nfs/dbraw/zinc/55/64/01/650556401.db2.gz FXYRNUKWJFWGBI-UHFFFAOYSA-N 1 0 384.274 2.469 20 0 GEADRO COC(=O)C[C@](C)([NH2+]CC(=O)N(C)C1CC1)c1ccc(Br)cc1 ZINC000513127295 650558154 /nfs/dbraw/zinc/55/81/54/650558154.db2.gz GDAKOXCLZLDBAE-KRWDZBQOSA-N 1 0 383.286 2.438 20 0 GEADRO CN(CC(=O)N(CC[NH+](C)C)C1CC1)C(=O)c1ccc(Br)s1 ZINC000476819654 650560755 /nfs/dbraw/zinc/56/07/55/650560755.db2.gz IDTFKGSOVAJBNR-UHFFFAOYSA-N 1 0 388.331 2.135 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000476845938 650561050 /nfs/dbraw/zinc/56/10/50/650561050.db2.gz JSTJUSZABACLSE-ZIAGYGMSSA-N 1 0 399.329 2.304 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000476855930 650561263 /nfs/dbraw/zinc/56/12/63/650561263.db2.gz UEVIQAIEUONDAO-UONOGXRCSA-N 1 0 385.302 2.132 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000476860287 650561400 /nfs/dbraw/zinc/56/14/00/650561400.db2.gz LUDZNCJXPYRBCA-UHFFFAOYSA-N 1 0 388.281 2.053 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000513463372 650563511 /nfs/dbraw/zinc/56/35/11/650563511.db2.gz LZXMLXVTHZLUCI-NEPJUHHUSA-N 1 0 399.333 2.114 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000477163858 650570321 /nfs/dbraw/zinc/57/03/21/650570321.db2.gz PAAUQOGZHZYDND-UONOGXRCSA-N 1 0 396.329 2.463 20 0 GEADRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513888823 650571054 /nfs/dbraw/zinc/57/10/54/650571054.db2.gz HUWOOWDDDXXSKG-LLVKDONJSA-N 1 0 379.295 2.302 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000477061013 650567320 /nfs/dbraw/zinc/56/73/20/650567320.db2.gz FHUXXVKNRCDGFB-LLVKDONJSA-N 1 0 382.917 2.412 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000514137507 650573820 /nfs/dbraw/zinc/57/38/20/650573820.db2.gz GSTQCVFQEAQZMC-CYBMUJFWSA-N 1 0 381.325 2.069 20 0 GEADRO C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)CCc2cccs2)cc1 ZINC000477590348 650576535 /nfs/dbraw/zinc/57/65/35/650576535.db2.gz LNOIQCARAQIGSY-HNNXBMFYSA-N 1 0 384.523 2.034 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2NS(C)(=O)=O)C1 ZINC000514735655 650578154 /nfs/dbraw/zinc/57/81/54/650578154.db2.gz CTAHZYWUZKXCEU-SNVBAGLBSA-N 1 0 379.404 2.357 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000514824282 650580392 /nfs/dbraw/zinc/58/03/92/650580392.db2.gz AGGLMRONCVSHMQ-NHYWBVRUSA-N 1 0 382.302 2.360 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ncccc2Br)CC1 ZINC000478446419 650585805 /nfs/dbraw/zinc/58/58/05/650585805.db2.gz PWVJKVMLNCCLIL-UHFFFAOYSA-N 1 0 377.242 2.210 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000515199946 650589395 /nfs/dbraw/zinc/58/93/95/650589395.db2.gz SRGYXCXJEFGUBE-MRXNPFEDSA-N 1 0 394.313 2.312 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CCO1 ZINC000478723388 650590783 /nfs/dbraw/zinc/59/07/83/650590783.db2.gz XWBZBODKBMYOKM-HNNXBMFYSA-N 1 0 381.885 2.104 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000515373560 650592990 /nfs/dbraw/zinc/59/29/90/650592990.db2.gz GMFUEIGYPBYGSZ-UHFFFAOYSA-N 1 0 378.523 2.222 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479020406 650594186 /nfs/dbraw/zinc/59/41/86/650594186.db2.gz OQURCAHPVQJBPB-MEDUHNTESA-N 1 0 384.307 2.251 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000515845497 650594804 /nfs/dbraw/zinc/59/48/04/650594804.db2.gz IAUXIMKLPFYTAC-RQJHMYQMSA-N 1 0 380.645 2.422 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479093444 650596130 /nfs/dbraw/zinc/59/61/30/650596130.db2.gz HVGGJULVVLVRJL-CHWSQXEVSA-N 1 0 384.307 2.347 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000479323284 650601329 /nfs/dbraw/zinc/60/13/29/650601329.db2.gz PWHHYNULFOSJED-CYBMUJFWSA-N 1 0 386.265 2.381 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCCN(C)CC(F)(F)F ZINC000479335092 650601531 /nfs/dbraw/zinc/60/15/31/650601531.db2.gz KKWFXSPYKHNUJQ-ZDUSSCGKSA-N 1 0 381.464 2.486 20 0 GEADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)[C@@H]1CCCO1 ZINC000518413303 650604862 /nfs/dbraw/zinc/60/48/62/650604862.db2.gz WUVSLMZPRQIWNE-OCCSQVGLSA-N 1 0 391.331 2.275 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000518531986 650606211 /nfs/dbraw/zinc/60/62/11/650606211.db2.gz MPBXYFKZSTZBFS-CQSZACIVSA-N 1 0 397.313 2.214 20 0 GEADRO COc1c(Br)cccc1C[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000479557206 650606492 /nfs/dbraw/zinc/60/64/92/650606492.db2.gz SRYSFXWSLVKQBL-INIZCTEOSA-N 1 0 398.345 2.490 20 0 GEADRO OCCCN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000519608405 650609329 /nfs/dbraw/zinc/60/93/29/650609329.db2.gz NFQSWQFIVWRAIM-LSDHHAIUSA-N 1 0 377.312 2.170 20 0 GEADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479895880 650612316 /nfs/dbraw/zinc/61/23/16/650612316.db2.gz BJOAZAWFKQYPAC-HRCADAONSA-N 1 0 381.314 2.322 20 0 GEADRO O=C(c1cc(I)ccc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479904302 650612490 /nfs/dbraw/zinc/61/24/90/650612490.db2.gz ULSGJKZAJZLVAR-DTORHVGOSA-N 1 0 376.625 2.236 20 0 GEADRO COc1c(Br)cccc1C[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000479600682 650607237 /nfs/dbraw/zinc/60/72/37/650607237.db2.gz BYXSBJSTNJSOFB-UHFFFAOYSA-N 1 0 396.285 2.412 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000520621959 650615639 /nfs/dbraw/zinc/61/56/39/650615639.db2.gz MQDHJYXOKCZYHP-LBPRGKRZSA-N 1 0 395.301 2.006 20 0 GEADRO C[C@H](CC[S@@](C)=O)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480194919 650617465 /nfs/dbraw/zinc/61/74/65/650617465.db2.gz IGJHPOMQATTZPA-LITPITGPSA-N 1 0 394.356 2.414 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCc2sccc2[C@H]1C ZINC000480264299 650618601 /nfs/dbraw/zinc/61/86/01/650618601.db2.gz MYXKVBKOCKSECS-CYBMUJFWSA-N 1 0 382.555 2.431 20 0 GEADRO Cc1nnc([C@H]2CC[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)[nH]1 ZINC000521980051 650620826 /nfs/dbraw/zinc/62/08/26/650620826.db2.gz YLYJIDLFPYOSKI-FZMZJTMJSA-N 1 0 399.264 2.244 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000480465466 650622818 /nfs/dbraw/zinc/62/28/18/650622818.db2.gz DHMHKACGUGBUDJ-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO CSc1ncc(Cl)c(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)n1 ZINC000522289334 650624892 /nfs/dbraw/zinc/62/48/92/650624892.db2.gz UBLQNHKNJHFBTP-UHFFFAOYSA-N 1 0 388.921 2.197 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCn1cc(Br)ccc1=O ZINC000522693166 650626813 /nfs/dbraw/zinc/62/68/13/650626813.db2.gz KYPDEVILUCBCFJ-DZGCQCFKSA-N 1 0 382.302 2.086 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000523783211 650638273 /nfs/dbraw/zinc/63/82/73/650638273.db2.gz AKBKCUJLCHEFOK-UHFFFAOYSA-N 1 0 393.962 2.013 20 0 GEADRO CCC1(CC)CN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CCS1 ZINC000480874939 650636065 /nfs/dbraw/zinc/63/60/65/650636065.db2.gz LRCATCVUSNYOFB-UHFFFAOYSA-N 1 0 388.603 2.358 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CCSC1 ZINC000481389175 650645871 /nfs/dbraw/zinc/64/58/71/650645871.db2.gz HILLEHOQCUVOKG-CQSZACIVSA-N 1 0 398.472 2.343 20 0 GEADRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000481421421 650646139 /nfs/dbraw/zinc/64/61/39/650646139.db2.gz CRKPUWPIIRRIEM-TVQRCGJNSA-N 1 0 381.782 2.394 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc(Br)ccc2F)CCSC1 ZINC000481335122 650644315 /nfs/dbraw/zinc/64/43/15/650644315.db2.gz GUAYSGGSGPHBME-CYBMUJFWSA-N 1 0 397.335 2.304 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000524921640 650648626 /nfs/dbraw/zinc/64/86/26/650648626.db2.gz JCAMSVDDZQMPFZ-OAHLLOKOSA-N 1 0 382.302 2.192 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000524920456 650648688 /nfs/dbraw/zinc/64/86/88/650648688.db2.gz DUNNAIOCYAABFB-HUUCEWRRSA-N 1 0 382.302 2.061 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(Cc1cccc(Br)c1)C1CC1 ZINC000481553065 650648725 /nfs/dbraw/zinc/64/87/25/650648725.db2.gz XOOKWTNTEYYKFW-KRWDZBQOSA-N 1 0 378.314 2.330 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000481741666 650652021 /nfs/dbraw/zinc/65/20/21/650652021.db2.gz XGLPOYWSGMSTNU-QGZVFWFLSA-N 1 0 384.293 2.403 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000525442780 650655044 /nfs/dbraw/zinc/65/50/44/650655044.db2.gz CATYZBIEJUUIPJ-SJORKVTESA-N 1 0 375.579 2.352 20 0 GEADRO CC[NH+]1CCN(c2ccc(C(=O)NCc3n[nH]cc3Br)cc2)CC1 ZINC000525755569 650657981 /nfs/dbraw/zinc/65/79/81/650657981.db2.gz OYTFLDUEHGCMLH-UHFFFAOYSA-N 1 0 392.301 2.244 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccnc(C)c2Br)CC1 ZINC000525848240 650659409 /nfs/dbraw/zinc/65/94/09/650659409.db2.gz LGTICTVOIWJIJO-UHFFFAOYSA-N 1 0 398.349 2.114 20 0 GEADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ncccc2Br)CC1 ZINC000525994141 650662715 /nfs/dbraw/zinc/66/27/15/650662715.db2.gz MNLZGUIETRZMLL-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000482635818 650665822 /nfs/dbraw/zinc/66/58/22/650665822.db2.gz YFELPJBJDSUSOV-HNNXBMFYSA-N 1 0 387.571 2.056 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000527043748 650665861 /nfs/dbraw/zinc/66/58/61/650665861.db2.gz LXQAOAYBOMAZIR-UONOGXRCSA-N 1 0 390.933 2.374 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(Br)s2)[C@H](C)C1 ZINC000482702874 650667000 /nfs/dbraw/zinc/66/70/00/650667000.db2.gz AOJHYWWIRCTISB-MNOVXSKESA-N 1 0 376.320 2.107 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000483940542 650683279 /nfs/dbraw/zinc/68/32/79/650683279.db2.gz DHFRQTKUHSOZPB-MNOVXSKESA-N 1 0 386.265 2.434 20 0 GEADRO CCCCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000483396735 650678219 /nfs/dbraw/zinc/67/82/19/650678219.db2.gz QSBHVNNAFOHKEB-XHSDSOJGSA-N 1 0 385.599 2.116 20 0 GEADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ccc(Br)s1 ZINC000527753617 650682496 /nfs/dbraw/zinc/68/24/96/650682496.db2.gz MBQIKPSREJKMHC-OAHLLOKOSA-N 1 0 375.332 2.216 20 0 GEADRO Cn1ncc(Br)c1CNc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000527766666 650682609 /nfs/dbraw/zinc/68/26/09/650682609.db2.gz DKJCRMHHIDQIHW-UHFFFAOYSA-N 1 0 380.290 2.086 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000527912387 650682838 /nfs/dbraw/zinc/68/28/38/650682838.db2.gz RKVGNMFUBCASFH-SJLPKXTDSA-N 1 0 380.330 2.488 20 0 GEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000527973050 650683809 /nfs/dbraw/zinc/68/38/09/650683809.db2.gz HCPPHULRUICRQK-SJLPKXTDSA-N 1 0 380.330 2.224 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000528304016 650687852 /nfs/dbraw/zinc/68/78/52/650687852.db2.gz VNBWFCOWINMALR-LLVKDONJSA-N 1 0 382.404 2.356 20 0 GEADRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000484647300 650688488 /nfs/dbraw/zinc/68/84/88/650688488.db2.gz YJGLSMHTEGFCSY-OLZOCXBDSA-N 1 0 393.228 2.449 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCc3cc(Br)ccc3C2)C[C@H](C)O1 ZINC000484041008 650684711 /nfs/dbraw/zinc/68/47/11/650684711.db2.gz YPSLYHDWVRQYRA-QWQRMKEZSA-N 1 0 383.330 2.277 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000484135155 650685402 /nfs/dbraw/zinc/68/54/02/650685402.db2.gz FPKWYGAHRLDPRF-NEPJUHHUSA-N 1 0 383.290 2.156 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cc(Cl)c(Br)cc1F ZINC000528698517 650698285 /nfs/dbraw/zinc/69/82/85/650698285.db2.gz VALMBQQVXXSTPX-MRVPVSSYSA-N 1 0 379.661 2.267 20 0 GEADRO C[C@@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1cc(F)c(Br)cc1F ZINC000528631962 650696803 /nfs/dbraw/zinc/69/68/03/650696803.db2.gz AVKOCNZRYVLBCD-SFYZADRCSA-N 1 0 376.201 2.318 20 0 GEADRO OC[C@@]1([NH2+]C[C@@H](O)c2ccc(Br)cc2)COc2ccccc2C1 ZINC000528648527 650697274 /nfs/dbraw/zinc/69/72/74/650697274.db2.gz CKNJCADLVDQHDG-SJLPKXTDSA-N 1 0 378.266 2.438 20 0 GEADRO Cc1cccc(CC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1Br ZINC000528660168 650697402 /nfs/dbraw/zinc/69/74/02/650697402.db2.gz BTSRMQWUJCSGLM-HNNXBMFYSA-N 1 0 381.314 2.481 20 0 GEADRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000528660742 650697426 /nfs/dbraw/zinc/69/74/26/650697426.db2.gz DRADDGVGSLRRAB-UHFFFAOYSA-N 1 0 386.283 2.168 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000485688838 650699002 /nfs/dbraw/zinc/69/90/02/650699002.db2.gz BHSBCYKAJPIVOJ-JSGCOSHPSA-N 1 0 390.274 2.073 20 0 GEADRO C[C@]1(Br)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000528915233 650699119 /nfs/dbraw/zinc/69/91/19/650699119.db2.gz IUWWPHPPBIKTPS-LHHMISFZSA-N 1 0 381.314 2.159 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000485724607 650699384 /nfs/dbraw/zinc/69/93/84/650699384.db2.gz ZMDYIQGNCYXDQZ-DZGCQCFKSA-N 1 0 388.258 2.088 20 0 GEADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000485826346 650701086 /nfs/dbraw/zinc/70/10/86/650701086.db2.gz HYFICUYXZAJWEF-ZANVPECISA-N 1 0 381.420 2.067 20 0 GEADRO CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000529355005 650703562 /nfs/dbraw/zinc/70/35/62/650703562.db2.gz LRXIWDZSHUWXKP-DZGCQCFKSA-N 1 0 383.901 2.094 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CC(F)(F)C1 ZINC000529536930 650703868 /nfs/dbraw/zinc/70/38/68/650703868.db2.gz AOICWZCQHHWGLE-LLVKDONJSA-N 1 0 380.482 2.292 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529721871 650705041 /nfs/dbraw/zinc/70/50/41/650705041.db2.gz ZSBYVAIGGCEMJR-AWEZNQCLSA-N 1 0 385.555 2.135 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc(Br)c(F)c2F)n1 ZINC000529875132 650707862 /nfs/dbraw/zinc/70/78/62/650707862.db2.gz FMKTURIHOCXZJU-UHFFFAOYSA-N 1 0 387.228 2.415 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000486204702 650708612 /nfs/dbraw/zinc/70/86/12/650708612.db2.gz PJFJZQMJSLFPIE-GXSJLCMTSA-N 1 0 378.279 2.209 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486444696 650713861 /nfs/dbraw/zinc/71/38/61/650713861.db2.gz KMTIMHGSOXPNKP-UHIISALHSA-N 1 0 380.286 2.426 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(I)cn1 ZINC000530023607 650710650 /nfs/dbraw/zinc/71/06/50/650710650.db2.gz WCRDVSZLITUQMN-CYBMUJFWSA-N 1 0 385.249 2.433 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000486291449 650710821 /nfs/dbraw/zinc/71/08/21/650710821.db2.gz JOQTVECGTVRZRF-HNNXBMFYSA-N 1 0 381.270 2.402 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000486446430 650713898 /nfs/dbraw/zinc/71/38/98/650713898.db2.gz NJZSXUSDLCAOMM-ONGXEEELSA-N 1 0 389.880 2.056 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486444692 650713908 /nfs/dbraw/zinc/71/39/08/650713908.db2.gz KMTIMHGSOXPNKP-JTNHKYCSSA-N 1 0 380.286 2.426 20 0 GEADRO Cc1cc(Br)cc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000486342420 650711993 /nfs/dbraw/zinc/71/19/93/650711993.db2.gz FNXMXCXPXVWEKH-CYBMUJFWSA-N 1 0 397.317 2.466 20 0 GEADRO C[N@@H+]1CCN(C(=O)COc2cccc(I)c2)C(C)(C)C1 ZINC000486462986 650714163 /nfs/dbraw/zinc/71/41/63/650714163.db2.gz RBZGROIERABAEL-UHFFFAOYSA-N 1 0 388.249 2.223 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)[C@H]2C1 ZINC000486641354 650717558 /nfs/dbraw/zinc/71/75/58/650717558.db2.gz BJNHWWKUCUGWDP-DOMZBBRYSA-N 1 0 378.416 2.342 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000486655940 650717935 /nfs/dbraw/zinc/71/79/35/650717935.db2.gz JQSBCYAYBLHWLF-XJKSGUPXSA-N 1 0 396.329 2.100 20 0 GEADRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000530242657 650719358 /nfs/dbraw/zinc/71/93/58/650719358.db2.gz NZHGUBGFMZKAJT-UHFFFAOYSA-N 1 0 377.539 2.014 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CSc2ccccc21 ZINC000530538102 650725977 /nfs/dbraw/zinc/72/59/77/650725977.db2.gz WTYKGVKDKPVWPE-HNNXBMFYSA-N 1 0 380.539 2.187 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000486962127 650726035 /nfs/dbraw/zinc/72/60/35/650726035.db2.gz CUIXCLQYUIWPGN-UHFFFAOYSA-N 1 0 396.308 2.234 20 0 GEADRO C[NH+](C)[C@]1(CNc2ncccc2S(=O)(=O)N2CCCCC2)CCSC1 ZINC000530643891 650728769 /nfs/dbraw/zinc/72/87/69/650728769.db2.gz SROHDXCEFHGGRR-KRWDZBQOSA-N 1 0 384.571 2.105 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2=O)ccc1Br ZINC000487161460 650729954 /nfs/dbraw/zinc/72/99/54/650729954.db2.gz QNMWIWAMAIFMAV-BJJXKVORSA-N 1 0 394.313 2.177 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2=O)ccc1Br ZINC000487161461 650730121 /nfs/dbraw/zinc/73/01/21/650730121.db2.gz QNMWIWAMAIFMAV-INWMFGNUSA-N 1 0 394.313 2.177 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N(CCO)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000487462589 650734109 /nfs/dbraw/zinc/73/41/09/650734109.db2.gz CJTRDUCGPWZPQW-CJNGLKHVSA-N 1 0 384.318 2.436 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)CC[NH+]1CCCC1 ZINC000487530379 650735064 /nfs/dbraw/zinc/73/50/64/650735064.db2.gz AWZOHKVNBYSCPZ-ZDUSSCGKSA-N 1 0 382.302 2.122 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000531129188 650735335 /nfs/dbraw/zinc/73/53/35/650735335.db2.gz FUPDHDYTPPKKFG-HNNXBMFYSA-N 1 0 395.953 2.183 20 0 GEADRO C[NH+](C)C1(CNC(=O)N(CCO)Cc2cccc(Br)c2)CCC1 ZINC000487556923 650735511 /nfs/dbraw/zinc/73/55/11/650735511.db2.gz JOVVDCUPBKEFMG-UHFFFAOYSA-N 1 0 384.318 2.437 20 0 GEADRO C[C@@H]1[C@H](NC(=O)N(CCO)Cc2cccc(Br)c2)CCC[N@@H+]1C ZINC000487555383 650735608 /nfs/dbraw/zinc/73/56/08/650735608.db2.gz GGMLOGRZYBMLID-CZUORRHYSA-N 1 0 384.318 2.436 20 0 GEADRO C[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000487911598 650739226 /nfs/dbraw/zinc/73/92/26/650739226.db2.gz LUAOQPLINWUGTL-ZIAGYGMSSA-N 1 0 396.329 2.416 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000531484324 650739250 /nfs/dbraw/zinc/73/92/50/650739250.db2.gz YJPJIHOFRKZUCY-ZDUSSCGKSA-N 1 0 384.322 2.334 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000531569775 650740936 /nfs/dbraw/zinc/74/09/36/650740936.db2.gz CFRAUDIXUXUUDG-AAEUAGOBSA-N 1 0 377.539 2.235 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000531569776 650740998 /nfs/dbraw/zinc/74/09/98/650740998.db2.gz CFRAUDIXUXUUDG-DGCLKSJQSA-N 1 0 377.539 2.235 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000488188470 650742156 /nfs/dbraw/zinc/74/21/56/650742156.db2.gz WNWUVTWKDWKWFJ-HNNXBMFYSA-N 1 0 388.281 2.407 20 0 GEADRO COc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c(I)c1 ZINC000532120827 650745180 /nfs/dbraw/zinc/74/51/80/650745180.db2.gz NYGQCUVSAOCHMK-LLVKDONJSA-N 1 0 388.249 2.371 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CS[C@H](C(C)C)C2)c1 ZINC000488424101 650746099 /nfs/dbraw/zinc/74/60/99/650746099.db2.gz CGBUGYAPUUSRRC-BJJXKVORSA-N 1 0 385.555 2.041 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCc2c1cc(Br)cc2F)c1cnccn1 ZINC000532219901 650746242 /nfs/dbraw/zinc/74/62/42/650746242.db2.gz YIAJPYBGKKQUGF-AWEZNQCLSA-N 1 0 379.233 2.385 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000488535268 650747597 /nfs/dbraw/zinc/74/75/97/650747597.db2.gz LDNOCRFDWRNIFZ-HZMBPMFUSA-N 1 0 376.270 2.261 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1CCO[C@H](C)C1 ZINC000532482719 650748667 /nfs/dbraw/zinc/74/86/67/650748667.db2.gz UWBKSCKKLCUZKH-UONOGXRCSA-N 1 0 384.318 2.477 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCNC(=O)c2cnccn2)cc1Br ZINC000532494063 650748900 /nfs/dbraw/zinc/74/89/00/650748900.db2.gz KJTZXKLOBAMRQV-LLVKDONJSA-N 1 0 379.258 2.328 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1cnccn1)c1ccc(I)cc1 ZINC000532494199 650748903 /nfs/dbraw/zinc/74/89/03/650748903.db2.gz AUFRBKUUGPNBNW-NSHDSACASA-N 1 0 396.232 2.162 20 0 GEADRO CC[N@H+](CCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)C1CC1 ZINC000488655973 650750503 /nfs/dbraw/zinc/75/05/03/650750503.db2.gz KBLVMLVVDVPDCJ-HNNXBMFYSA-N 1 0 388.281 2.405 20 0 GEADRO O=C(COC(=O)Cc1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000028204326 642447877 /nfs/dbraw/zinc/44/78/77/642447877.db2.gz WYJVOQANJOEQMH-UHFFFAOYSA-N 1 0 395.297 2.278 20 0 GEADRO O=C(COC(=O)c1cc(Br)ccc1F)NC1CC[NH+](C2CC2)CC1 ZINC000028268316 642448729 /nfs/dbraw/zinc/44/87/29/642448729.db2.gz HDUJGGPIFFKVRO-UHFFFAOYSA-N 1 0 399.260 2.488 20 0 GEADRO O=C(CCNC(=O)c1cccs1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000029367723 642462805 /nfs/dbraw/zinc/46/28/05/642462805.db2.gz OWKZQJJGTVRAJF-UHFFFAOYSA-N 1 0 381.567 2.346 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)NC[C@H](C)[NH+](C)C)[nH]c(=O)c2c1C ZINC000033093888 642501300 /nfs/dbraw/zinc/50/13/00/642501300.db2.gz SVCLLHGPGXZWIA-JOYOIKCWSA-N 1 0 382.555 2.289 20 0 GEADRO CN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](C)CC1 ZINC000034695908 642505154 /nfs/dbraw/zinc/50/51/54/642505154.db2.gz JPYOHSKBYHFBRH-INIZCTEOSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cc(F)c(Br)cc1F)[NH+]1CCCC1 ZINC000532795925 650753358 /nfs/dbraw/zinc/75/33/58/650753358.db2.gz LYAZZLHXAPCMIX-SECBINFHSA-N 1 0 390.228 2.266 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1Br ZINC000037404306 642512977 /nfs/dbraw/zinc/51/29/77/642512977.db2.gz YIGCGTALLVRHOW-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1Br)N1CCC[NH2+]CC1 ZINC000037573864 642513764 /nfs/dbraw/zinc/51/37/64/642513764.db2.gz LITKNEWKHBWRJR-UHFFFAOYSA-N 1 0 398.120 2.196 20 0 GEADRO Brc1ccc(-c2noc(CN3CCN([C@H]4CC[NH2+]C4)CC3)n2)s1 ZINC000489909102 650765261 /nfs/dbraw/zinc/76/52/61/650765261.db2.gz SPHXLXSBKFLBDH-NSHDSACASA-N 1 0 398.330 2.040 20 0 GEADRO CN(C(=O)c1ccc(Br)cc1-n1cncn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000533948821 650767495 /nfs/dbraw/zinc/76/74/95/650767495.db2.gz KPMFETOLDBHRTR-AWEZNQCLSA-N 1 0 390.285 2.339 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000533948112 650767662 /nfs/dbraw/zinc/76/76/62/650767662.db2.gz LXZGGHWJFRMCOD-GFCCVEGCSA-N 1 0 378.274 2.196 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)COc1ccc(Br)cc1F ZINC000041966868 642537494 /nfs/dbraw/zinc/53/74/94/642537494.db2.gz DHPGTMSTTQKFTP-UHFFFAOYSA-N 1 0 377.254 2.052 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc2cccnc21 ZINC000533942005 650767595 /nfs/dbraw/zinc/76/75/95/650767595.db2.gz QHCQDLNHNRACMS-ZDUSSCGKSA-N 1 0 391.313 2.363 20 0 GEADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000042169445 642544606 /nfs/dbraw/zinc/54/46/06/642544606.db2.gz BLPQKWIMHHQOKT-HZPDHXFCSA-N 1 0 375.604 2.160 20 0 GEADRO Cc1nc(-c2cccs2)sc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000042741723 642556278 /nfs/dbraw/zinc/55/62/78/642556278.db2.gz HKQXVVFLJPVZDQ-UHFFFAOYSA-N 1 0 378.523 2.026 20 0 GEADRO CSCCCNC(=S)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000044132413 642570079 /nfs/dbraw/zinc/57/00/79/642570079.db2.gz QAMLCEQXUDLANC-UHFFFAOYSA-N 1 0 380.627 2.412 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cncc(Br)c1 ZINC000044243615 642571165 /nfs/dbraw/zinc/57/11/65/642571165.db2.gz BDFSXODGVAQORT-GFCCVEGCSA-N 1 0 376.320 2.387 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000044664556 642581784 /nfs/dbraw/zinc/58/17/84/642581784.db2.gz AASLGDHJJORRFQ-LBPRGKRZSA-N 1 0 390.962 2.482 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1ccc(I)cc1 ZINC000489794784 650763461 /nfs/dbraw/zinc/76/34/61/650763461.db2.gz HJLHYHRNSODZBY-AWEZNQCLSA-N 1 0 387.265 2.433 20 0 GEADRO CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045158032 642589593 /nfs/dbraw/zinc/58/95/93/642589593.db2.gz LHIXCINEHCXPQZ-ZDUSSCGKSA-N 1 0 382.302 2.260 20 0 GEADRO O=C(NNC(=O)c1ccccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000045410564 642591754 /nfs/dbraw/zinc/59/17/54/642591754.db2.gz SSKPPMASYZACON-UHFFFAOYSA-N 1 0 381.274 2.020 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2C)CC[N@@H+]1C ZINC000490285842 650771031 /nfs/dbraw/zinc/77/10/31/650771031.db2.gz JIJUXPKXUXZFIF-ZDUSSCGKSA-N 1 0 379.555 2.434 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000046858748 642617582 /nfs/dbraw/zinc/61/75/82/642617582.db2.gz VGWZWIXYKMLPNN-GFCCVEGCSA-N 1 0 393.962 2.013 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCOc2cccc(Br)c2)CC1 ZINC000046946776 642620204 /nfs/dbraw/zinc/62/02/04/642620204.db2.gz GLHHHPCOJVBYJG-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2n(c1=O)CCS2)c1ccsc1 ZINC000046946044 642620366 /nfs/dbraw/zinc/62/03/66/642620366.db2.gz BHVYWQFEIBVVFQ-AWEZNQCLSA-N 1 0 378.523 2.223 20 0 GEADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000048128015 642644558 /nfs/dbraw/zinc/64/45/58/642644558.db2.gz REHCNKCRRPCWDJ-UHFFFAOYSA-N 1 0 381.523 2.167 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@@H]2COc3ccc(Br)cc32)CCSC1 ZINC000533957438 650767722 /nfs/dbraw/zinc/76/77/22/650767722.db2.gz FZHYPUNYMCQVGR-CZUORRHYSA-N 1 0 385.327 2.479 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H](C)C[NH+]1CCCC1 ZINC000048749234 642661311 /nfs/dbraw/zinc/66/13/11/642661311.db2.gz WQGOXTKWJSSBBY-HIFRSBDPSA-N 1 0 388.965 2.026 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000049993030 642673827 /nfs/dbraw/zinc/67/38/27/642673827.db2.gz HNCOMRXHMDYTSZ-IAGOWNOFSA-N 1 0 380.330 2.306 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)C2)C1 ZINC000490559957 650776221 /nfs/dbraw/zinc/77/62/21/650776221.db2.gz VRMSTVSHOHHVHM-CQSZACIVSA-N 1 0 395.269 2.444 20 0 GEADRO O=C(COC(=O)c1sccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000051595884 642700410 /nfs/dbraw/zinc/70/04/10/642700410.db2.gz AXFAUEJQPBOUTR-UHFFFAOYSA-N 1 0 387.299 2.410 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000490611786 650777303 /nfs/dbraw/zinc/77/73/03/650777303.db2.gz SUKYZIDDSUYXCG-PBHICJAKSA-N 1 0 384.307 2.363 20 0 GEADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000052134580 642710997 /nfs/dbraw/zinc/71/09/97/642710997.db2.gz BRWOPFNLIUYOII-INIZCTEOSA-N 1 0 387.933 2.462 20 0 GEADRO CSCC[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1nnc2ccccn21 ZINC000534585121 650778090 /nfs/dbraw/zinc/77/80/90/650778090.db2.gz GUCKGXASGYMLPY-KBPBESRZSA-N 1 0 379.555 2.077 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[NH+]1CCCC1 ZINC000052641484 642723756 /nfs/dbraw/zinc/72/37/56/642723756.db2.gz FSQMAOFOPFAKNI-UONOGXRCSA-N 1 0 394.313 2.403 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2cccs2)C[C@H]1[NH+](C)C 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GEADRO O=C(NC1CC1)C1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000056511303 642795249 /nfs/dbraw/zinc/79/52/49/642795249.db2.gz YFIBFSBSBVQQGJ-INIZCTEOSA-N 1 0 397.313 2.179 20 0 GEADRO COC(=O)[C@@]1(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCSC1 ZINC000491078016 650782902 /nfs/dbraw/zinc/78/29/02/650782902.db2.gz UJKSCPYTOLPLHE-UEKVPHQBSA-N 1 0 382.448 2.060 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)c(Br)s2)C[C@@H]1[NH+](C)C ZINC000535619647 650789393 /nfs/dbraw/zinc/78/93/93/650789393.db2.gz FDQCNNFBLKMUTP-VHSXEESVSA-N 1 0 399.401 2.485 20 0 GEADRO C[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000057720144 642815315 /nfs/dbraw/zinc/81/53/15/642815315.db2.gz UIIWWVBFLLJZSZ-GFCCVEGCSA-N 1 0 382.302 2.168 20 0 GEADRO C[C@@H](CNC(=O)COc1ccc(I)cc1)[N@H+](C)C1CC1 ZINC000057720636 642815369 /nfs/dbraw/zinc/81/53/69/642815369.db2.gz GKCYNFKHKNLJRA-NSHDSACASA-N 1 0 388.249 2.269 20 0 GEADRO Brc1ccc(-n2cc(CN3CCN([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000491314386 650785259 /nfs/dbraw/zinc/78/52/59/650785259.db2.gz CWZWVKGUSXSMBS-SFHVURJKSA-N 1 0 390.329 2.114 20 0 GEADRO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000492102090 650790102 /nfs/dbraw/zinc/79/01/02/650790102.db2.gz DGBDBNIEOLKORY-LBPRGKRZSA-N 1 0 382.302 2.086 20 0 GEADRO C[NH2+]CC1CCN(CC(=O)Nc2cccc(I)c2)CC1 ZINC000063165955 642853507 /nfs/dbraw/zinc/85/35/07/642853507.db2.gz TYMAUKRDIVNRNM-UHFFFAOYSA-N 1 0 387.265 2.161 20 0 GEADRO Cc1csc(=O)n1CC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000063301650 642856567 /nfs/dbraw/zinc/85/65/67/642856567.db2.gz JSNCWZYBBSFGIR-UHFFFAOYSA-N 1 0 379.551 2.351 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000063852348 642863753 /nfs/dbraw/zinc/86/37/53/642863753.db2.gz LUPCFIGEBMUAEZ-CQSZACIVSA-N 1 0 396.329 2.417 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC3(CC2)OCCc2ccsc23)C1 ZINC000492950275 650792277 /nfs/dbraw/zinc/79/22/77/650792277.db2.gz IINCNMCUQVWNKA-OAHLLOKOSA-N 1 0 384.567 2.284 20 0 GEADRO O=C(CCOc1ccccc1I)NCC[NH+]1CCCC1 ZINC000492976655 650792561 /nfs/dbraw/zinc/79/25/61/650792561.db2.gz MIKFGQMWZULVRY-UHFFFAOYSA-N 1 0 388.249 2.272 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000064304889 642872592 /nfs/dbraw/zinc/87/25/92/642872592.db2.gz OCRWCIKEUANQLQ-UHFFFAOYSA-N 1 0 396.285 2.093 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccc(I)s2)C1 ZINC000602662910 653198663 /nfs/dbraw/zinc/19/86/63/653198663.db2.gz BZEAJOPKIWEGBL-VIFPVBQESA-N 1 0 385.292 2.267 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000536040857 650794809 /nfs/dbraw/zinc/79/48/09/650794809.db2.gz YTKZISNTPOBHFK-TXEJJXNPSA-N 1 0 383.290 2.162 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000066125421 642898508 /nfs/dbraw/zinc/89/85/08/642898508.db2.gz FHYDEDKTWSDVKV-LBPRGKRZSA-N 1 0 395.301 2.006 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000066124909 642898755 /nfs/dbraw/zinc/89/87/55/642898755.db2.gz SBNWMZYRAILZHX-GHMZBOCLSA-N 1 0 390.347 2.475 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066223514 642901405 /nfs/dbraw/zinc/90/14/05/642901405.db2.gz CNCUVCHPXOZLNZ-LBPRGKRZSA-N 1 0 384.249 2.223 20 0 GEADRO NC(=O)[C@H]1CCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000066411278 642912033 /nfs/dbraw/zinc/91/20/33/642912033.db2.gz ROCIELOJHHSPET-CQSZACIVSA-N 1 0 388.249 2.400 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)CC[N@@H+]1C ZINC000536183745 650798088 /nfs/dbraw/zinc/79/80/88/650798088.db2.gz KBIXXDXVEWBIRS-YPMHNXCESA-N 1 0 378.274 2.242 20 0 GEADRO COC(=O)[C@@]1(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CCSC1 ZINC000536258921 650799418 /nfs/dbraw/zinc/79/94/18/650799418.db2.gz RPZOGFCKVSYNRT-GOSISDBHSA-N 1 0 380.535 2.014 20 0 GEADRO C[N@H+](CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CC1 ZINC000066923982 642951670 /nfs/dbraw/zinc/95/16/70/642951670.db2.gz TXWVXZAWZYWABG-CYBMUJFWSA-N 1 0 380.286 2.012 20 0 GEADRO C[N@H+](CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000066923965 642951715 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Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1Br ZINC000127356234 643772786 /nfs/dbraw/zinc/77/27/86/643772786.db2.gz BAEXTUBLALNYES-QMMMGPOBSA-N 1 0 398.120 2.242 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000128395812 643801249 /nfs/dbraw/zinc/80/12/49/643801249.db2.gz CNLXDADPTFUVLJ-ZYHUDNBSSA-N 1 0 384.221 2.167 20 0 GEADRO O=C(CN1CC[C@H](C[NH+]2CCOCC2)C1)Nc1ccccc1Br ZINC000129645955 643825524 /nfs/dbraw/zinc/82/55/24/643825524.db2.gz GFGUZKPJSYQNSH-CQSZACIVSA-N 1 0 382.302 2.042 20 0 GEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000130158760 643831518 /nfs/dbraw/zinc/83/15/18/643831518.db2.gz HGUZZFAKZATGTJ-CYBMUJFWSA-N 1 0 384.318 2.416 20 0 GEADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000130603025 643844697 /nfs/dbraw/zinc/84/46/97/643844697.db2.gz LTKZYFNITZRSNC-UHFFFAOYSA-N 1 0 385.555 2.083 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1c(F)cccc1I ZINC000130807146 643851984 /nfs/dbraw/zinc/85/19/84/643851984.db2.gz NNEVVULHXAGQFC-UHFFFAOYSA-N 1 0 394.228 2.128 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000131001163 643859044 /nfs/dbraw/zinc/85/90/44/643859044.db2.gz OZAZGUVUKZCAFE-ZBFHGGJFSA-N 1 0 397.313 2.134 20 0 GEADRO C[NH+](C)CCCCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000499225627 650876294 /nfs/dbraw/zinc/87/62/94/650876294.db2.gz JPNLKJCOKGGMLH-UHFFFAOYSA-N 1 0 385.306 2.419 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)c[nH]1 ZINC000131037391 643860439 /nfs/dbraw/zinc/86/04/39/643860439.db2.gz AIJZLXNXZMQVDW-LBPRGKRZSA-N 1 0 383.242 2.093 20 0 GEADRO CC(C)N(CCS(C)(=O)=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000131084784 643862848 /nfs/dbraw/zinc/86/28/48/643862848.db2.gz ADPBEOVRKSHOAL-IYBDPMFKSA-N 1 0 375.579 2.208 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccc1Cl ZINC000131163610 643866903 /nfs/dbraw/zinc/86/69/03/643866903.db2.gz QDUYWHPFAHWNDC-CQSZACIVSA-N 1 0 387.933 2.324 20 0 GEADRO Cc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131265472 643869069 /nfs/dbraw/zinc/86/90/69/643869069.db2.gz YKCCAWYBMMYYTO-MRXNPFEDSA-N 1 0 394.313 2.312 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000499234311 650876724 /nfs/dbraw/zinc/87/67/24/650876724.db2.gz PXYILFZBIWMWCB-UHFFFAOYSA-N 1 0 397.313 2.375 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([NH2+]C)C2)c1 ZINC000132799116 643886903 /nfs/dbraw/zinc/88/69/03/643886903.db2.gz QNXRXXFBUXPCGX-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)cnc1Cl ZINC000134001471 643899621 /nfs/dbraw/zinc/89/96/21/643899621.db2.gz QZVLSWMSBCKWJW-GFCCVEGCSA-N 1 0 390.709 2.464 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000134776931 643906637 /nfs/dbraw/zinc/90/66/37/643906637.db2.gz PFRHKGVCWGZESI-CQSZACIVSA-N 1 0 385.917 2.046 20 0 GEADRO CC[N@H+](CCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C(C)C ZINC000134937071 643910150 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COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000151878608 643957916 /nfs/dbraw/zinc/95/79/16/643957916.db2.gz BZJXUBRXAXTJEI-WDEREUQCSA-N 1 0 396.285 2.138 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Br)c1 ZINC000151917645 643961415 /nfs/dbraw/zinc/96/14/15/643961415.db2.gz AILQLDAMTTWDCH-QWRGUYRKSA-N 1 0 396.285 2.138 20 0 GEADRO O=C(C[C@H]1CSCCS1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000152293052 643965835 /nfs/dbraw/zinc/96/58/35/643965835.db2.gz OQPRCRMMKKMHHR-SFHVURJKSA-N 1 0 379.595 2.159 20 0 GEADRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000153219974 643980978 /nfs/dbraw/zinc/98/09/78/643980978.db2.gz OSODHCHHNZXTGJ-UHFFFAOYSA-N 1 0 382.917 2.378 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C1CC1 ZINC000153234190 643982666 /nfs/dbraw/zinc/98/26/66/643982666.db2.gz FKMBRGQSSKVIEY-CYBMUJFWSA-N 1 0 388.693 2.497 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)c(O)c3)C2)CC1 ZINC000153303016 643983871 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C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C[C@H](C)[NH2+]1 ZINC000153789524 644006049 /nfs/dbraw/zinc/00/60/49/644006049.db2.gz MPDBWSXEOLMQEU-TXEJJXNPSA-N 1 0 387.933 2.239 20 0 GEADRO CN(CC[NH+]1CCCC1)CC(=O)Nc1ccc(I)cc1 ZINC000153849356 644008111 /nfs/dbraw/zinc/00/81/11/644008111.db2.gz BDGASQXUVBGCGH-UHFFFAOYSA-N 1 0 387.265 2.257 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1cncc(Br)c1)C1CCCCC1 ZINC000154144305 644021322 /nfs/dbraw/zinc/02/13/22/644021322.db2.gz HRHDITBDOVMQAF-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cncc(Br)c1)C2 ZINC000154309128 644033428 /nfs/dbraw/zinc/03/34/28/644033428.db2.gz GWCKEWWTMHRZPO-LSDHHAIUSA-N 1 0 395.301 2.256 20 0 GEADRO O=C(C[C@@H]1CSCCS1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000154324513 644035425 /nfs/dbraw/zinc/03/54/25/644035425.db2.gz HKZLFLQWPYKVOQ-RCCFBDPRSA-N 1 0 380.579 2.224 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000154432340 644040844 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C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000156393493 644093526 /nfs/dbraw/zinc/09/35/26/644093526.db2.gz NPHCKZVZINOGDO-XPKDYRNWSA-N 1 0 381.929 2.441 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](CO)C(C)C ZINC000156392493 644093551 /nfs/dbraw/zinc/09/35/51/644093551.db2.gz ANXSNLFDDJCIHM-CYBMUJFWSA-N 1 0 376.238 2.145 20 0 GEADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000156506206 644099527 /nfs/dbraw/zinc/09/95/27/644099527.db2.gz DTBNQJCJALFHCV-GFCCVEGCSA-N 1 0 386.265 2.327 20 0 GEADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[NH+](CC2CC2)CC1 ZINC000156596888 644106208 /nfs/dbraw/zinc/10/62/08/644106208.db2.gz PSZXRYRRCADNGL-UHFFFAOYSA-N 1 0 390.281 2.458 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CC1 ZINC000156613930 644107590 /nfs/dbraw/zinc/10/75/90/644107590.db2.gz ZAXGYSJMTCBNNO-HNNXBMFYSA-N 1 0 378.270 2.361 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)CN1CCOCC1 ZINC000156731373 644114595 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C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cn1cc(Br)cn1 ZINC000546607684 651004107 /nfs/dbraw/zinc/00/41/07/651004107.db2.gz HPGPTDLWJFIQPD-BBRMVZONSA-N 1 0 377.286 2.282 20 0 GEADRO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1Cl ZINC000195444386 645379498 /nfs/dbraw/zinc/37/94/98/645379498.db2.gz SIIBFMCOXYHJBR-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216006820 645385159 /nfs/dbraw/zinc/38/51/59/645385159.db2.gz BFJWAQJGWAOLQN-DTWKUNHWSA-N 1 0 397.722 2.469 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(F)c3)C[C@@H]21 ZINC000219206128 645385843 /nfs/dbraw/zinc/38/58/43/645385843.db2.gz NFYNGFVAAQWLGK-OLUVUFQESA-N 1 0 377.279 2.336 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1Br ZINC000226342727 645390361 /nfs/dbraw/zinc/39/03/61/645390361.db2.gz KUWMNMHYDSERCX-GWCFXTLKSA-N 1 0 377.304 2.206 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226343149 645390519 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O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000236577839 645412563 /nfs/dbraw/zinc/41/25/63/645412563.db2.gz DIEYREBYPIFQGR-STQMWFEESA-N 1 0 380.286 2.060 20 0 GEADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236582357 645412998 /nfs/dbraw/zinc/41/29/98/645412998.db2.gz NOFHYWBTODRHQC-CYBMUJFWSA-N 1 0 380.286 2.236 20 0 GEADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000236586155 645413195 /nfs/dbraw/zinc/41/31/95/645413195.db2.gz PPOGRCKRCZXEOG-ZACCUICWSA-N 1 0 376.254 2.303 20 0 GEADRO O=S(=O)(Cc1ccc(Br)cc1)NCCC[NH2+]Cc1cccnc1 ZINC000236615595 645414569 /nfs/dbraw/zinc/41/45/69/645414569.db2.gz WPERGTQPNDQWMR-UHFFFAOYSA-N 1 0 398.326 2.443 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NCC[C@@H]1CCC[NH2+]C1 ZINC000236619533 645414620 /nfs/dbraw/zinc/41/46/20/645414620.db2.gz QAHHVEKFUOAVFB-ZDUSSCGKSA-N 1 0 397.317 2.467 20 0 GEADRO O=C(CCCCOc1ccc(Br)cc1)NCCN1CC[NH2+]CC1 ZINC000236622003 645414640 /nfs/dbraw/zinc/41/46/40/645414640.db2.gz 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O=C(c1nccn2c(Br)cnc12)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000271402835 646202202 /nfs/dbraw/zinc/20/22/02/646202202.db2.gz NYZRDRRHQQGALO-ZDUSSCGKSA-N 1 0 392.301 2.440 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+]C1CCN(c2ccccc2)CC1)c1cccs1 ZINC000271457491 646208998 /nfs/dbraw/zinc/20/89/98/646208998.db2.gz FQUHCCADCUSTIY-QGZVFWFLSA-N 1 0 380.535 2.141 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000271587043 646215371 /nfs/dbraw/zinc/21/53/71/646215371.db2.gz UEWRSSRXEXKNDB-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000271629946 646216619 /nfs/dbraw/zinc/21/66/19/646216619.db2.gz JLEGIGHXITWWGX-ZDUSSCGKSA-N 1 0 395.301 2.035 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000271710500 646223111 /nfs/dbraw/zinc/22/31/11/646223111.db2.gz OJQDTYARAADZSX-STQMWFEESA-N 1 0 378.416 2.331 20 0 GEADRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccc([S@@](C)=O)cc1 ZINC000271847672 646233618 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GEADRO COC[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272514446 646275043 /nfs/dbraw/zinc/27/50/43/646275043.db2.gz XKAZFCJHYMDAEN-AEFFLSMTSA-N 1 0 383.897 2.430 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(I)o3)[C@@H]2C1 ZINC000272514941 646275218 /nfs/dbraw/zinc/27/52/18/646275218.db2.gz PEKAMKHRZVHMHH-OLEFQQMKSA-N 1 0 386.233 2.450 20 0 GEADRO CNS(=O)(=O)c1cccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000272592753 646280258 /nfs/dbraw/zinc/28/02/58/646280258.db2.gz SELXLSWSIKZKQB-UHFFFAOYSA-N 1 0 379.448 2.101 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cnc1Br ZINC000272840874 646289135 /nfs/dbraw/zinc/28/91/35/646289135.db2.gz LYTROSOOYCEDRY-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@@]1(CNC(=O)CCNC(=O)c2ccc(Br)cc2)CCC[NH2+]C1 ZINC000272984603 646294426 /nfs/dbraw/zinc/29/44/26/646294426.db2.gz JVCKMOLZVUOJGM-QGZVFWFLSA-N 1 0 382.302 2.075 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000273004401 646296159 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CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000275613574 646357281 /nfs/dbraw/zinc/35/72/81/646357281.db2.gz IXHMIIYQODRXLN-CHWSQXEVSA-N 1 0 387.933 2.369 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Br)C1=CC[N@H+](C)CC1 ZINC000276248478 646371359 /nfs/dbraw/zinc/37/13/59/646371359.db2.gz YYQHHAYBKBYCTN-JTQLQIEISA-N 1 0 384.249 2.293 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc2ccccc2nc1Br)[NH+](C)C ZINC000277168255 646385469 /nfs/dbraw/zinc/38/54/69/646385469.db2.gz ZBVGDIIIRHXSQV-JTQLQIEISA-N 1 0 379.258 2.002 20 0 GEADRO Cc1cnc(C2CC[NH+](CCOc3ccc(S(N)(=O)=O)cc3)CC2)s1 ZINC000277281026 646397594 /nfs/dbraw/zinc/39/75/94/646397594.db2.gz CEMPYDQLYCLIQK-UHFFFAOYSA-N 1 0 381.523 2.357 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(=O)n1C ZINC000277294084 646399123 /nfs/dbraw/zinc/39/91/23/646399123.db2.gz BCVLXUWZKJUCSQ-DOMZBBRYSA-N 1 0 382.302 2.013 20 0 GEADRO Cc1c(Br)cc(C(=O)NC2CC[NH+](CC3CC3)CC2)c(=O)n1C ZINC000277304875 646400452 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C[C@@H](NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000277449647 646422170 /nfs/dbraw/zinc/42/21/70/646422170.db2.gz KFQCCQCHEDEEJV-GFCCVEGCSA-N 1 0 385.917 2.193 20 0 GEADRO COc1cc(Br)c(C[NH2+]CC2(N3CCOCC3)CC2)cc1OC ZINC000277455362 646424115 /nfs/dbraw/zinc/42/41/15/646424115.db2.gz HFYKHQPGXQYDIL-UHFFFAOYSA-N 1 0 385.302 2.421 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(Br)n1 ZINC000277527923 646436937 /nfs/dbraw/zinc/43/69/37/646436937.db2.gz OOOQWBBRVSGGGF-CYBMUJFWSA-N 1 0 395.301 2.224 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000277579315 646446006 /nfs/dbraw/zinc/44/60/06/646446006.db2.gz KHJZYKMXDDEAOI-SCRDCRAPSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277593609 646448527 /nfs/dbraw/zinc/44/85/27/646448527.db2.gz VXTFEKWWWQPLLV-CYBMUJFWSA-N 1 0 395.301 2.224 20 0 GEADRO Cn1cc([C@@H]2C[N@H+](CCOc3cccc(Br)c3)C[C@H]2CO)cn1 ZINC000277905881 646480548 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C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC000279172935 646581653 /nfs/dbraw/zinc/58/16/53/646581653.db2.gz LDBDEFIWQNUFPM-DCAQKATOSA-N 1 0 380.436 2.319 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]CC3(S(C)(=O)=O)CCC3)cnc12 ZINC000279634510 646616666 /nfs/dbraw/zinc/61/66/66/646616666.db2.gz CHTXFTXOHGCWER-UHFFFAOYSA-N 1 0 386.315 2.462 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000279659604 646619796 /nfs/dbraw/zinc/61/97/96/646619796.db2.gz YMEIFVQIKKRYII-AGUYFDCRSA-N 1 0 385.555 2.356 20 0 GEADRO CC(=O)N1CCN(CC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000279658600 646619883 /nfs/dbraw/zinc/61/98/83/646619883.db2.gz CWOTVRUWMCIEJH-UHFFFAOYSA-N 1 0 380.330 2.449 20 0 GEADRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280077075 646648099 /nfs/dbraw/zinc/64/80/99/646648099.db2.gz LLEIVLLALGUHPG-SECBINFHSA-N 1 0 394.324 2.337 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000280087463 646648652 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GEADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000280381311 646676427 /nfs/dbraw/zinc/67/64/27/646676427.db2.gz MPIXQKKJENYCJD-LBPRGKRZSA-N 1 0 393.285 2.120 20 0 GEADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(Cl)c(F)c2)CCCO1 ZINC000280398934 646678333 /nfs/dbraw/zinc/67/83/33/646678333.db2.gz IDVSYLADIXSIAN-CYBMUJFWSA-N 1 0 378.897 2.399 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCCCn1cc(Br)cn1 ZINC000280432025 646681574 /nfs/dbraw/zinc/68/15/74/646681574.db2.gz QDJOFJCKYZKFAF-CQSZACIVSA-N 1 0 386.338 2.409 20 0 GEADRO CC[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280441831 646682382 /nfs/dbraw/zinc/68/23/82/646682382.db2.gz CQZQGGKDVWMTTK-CQSZACIVSA-N 1 0 375.922 2.157 20 0 GEADRO C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000280455938 646684113 /nfs/dbraw/zinc/68/41/13/646684113.db2.gz GRRIRTSKPHBJRL-CQSZACIVSA-N 1 0 398.349 2.184 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280731554 646710462 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CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280803954 646718869 /nfs/dbraw/zinc/71/88/69/646718869.db2.gz IOPXEKANXASGHQ-PJJWTOGQSA-N 1 0 380.963 2.446 20 0 GEADRO CC[C@H]([NH2+][C@H](C)[C@@H](CO)SC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280900138 646730196 /nfs/dbraw/zinc/73/01/96/646730196.db2.gz PRWIZGVSMNUGPP-DDTOSNHZSA-N 1 0 380.963 2.401 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000280903518 646730611 /nfs/dbraw/zinc/73/06/11/646730611.db2.gz FBPPXJFQRFOMSE-ZDUSSCGKSA-N 1 0 379.298 2.460 20 0 GEADRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280980752 646734372 /nfs/dbraw/zinc/73/43/72/646734372.db2.gz WCEBJCLIGLTUED-SWLSCSKDSA-N 1 0 385.917 2.052 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000281010379 646737176 /nfs/dbraw/zinc/73/71/76/646737176.db2.gz YNIANJBYFJYPSR-MGPQQGTHSA-N 1 0 385.302 2.401 20 0 GEADRO CNC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000281089906 646745102 /nfs/dbraw/zinc/74/51/02/646745102.db2.gz LVPOMFAQDQCIAK-MRXNPFEDSA-N 1 0 386.265 2.375 20 0 GEADRO C[NH+](C)C1(CNC(=O)C2(c3cncc(Br)c3)CC2)CCOCC1 ZINC000281098092 646745708 /nfs/dbraw/zinc/74/57/08/646745708.db2.gz AFQXCAMFVBJONS-UHFFFAOYSA-N 1 0 382.302 2.103 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000281542730 646780203 /nfs/dbraw/zinc/78/02/03/646780203.db2.gz KJCPQXKLWUKEIC-UHFFFAOYSA-N 1 0 375.922 2.181 20 0 GEADRO Cn1c(=O)cc(C[NH+]2CCC(c3ccc(Br)cc3)CC2)n(C)c1=O ZINC000281922235 646803102 /nfs/dbraw/zinc/80/31/02/646803102.db2.gz CTJCFKTWLQVMSW-UHFFFAOYSA-N 1 0 392.297 2.226 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000281976760 646807424 /nfs/dbraw/zinc/80/74/24/646807424.db2.gz OJOGIYGQRSIAJG-LLVKDONJSA-N 1 0 389.315 2.054 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(Br)cc2C(C)=O)C1 ZINC000285118224 646848917 /nfs/dbraw/zinc/84/89/17/646848917.db2.gz PCUPYDSSELFUFW-ZDUSSCGKSA-N 1 0 383.286 2.489 20 0 GEADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](C)CC(N)=O)C1=O ZINC000285628754 646859196 /nfs/dbraw/zinc/85/91/96/646859196.db2.gz KHDSRZMUWMUEBA-JSGCOSHPSA-N 1 0 382.302 2.415 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000286156235 646867935 /nfs/dbraw/zinc/86/79/35/646867935.db2.gz XRIMHWIKXIRSPE-UHFFFAOYSA-N 1 0 375.523 2.276 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000286891170 646878225 /nfs/dbraw/zinc/87/82/25/646878225.db2.gz BWTWFKRBEJUNEO-BXUZGUMPSA-N 1 0 378.274 2.191 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N2CCN(C)c3cc(Br)ccc32)CC1 ZINC000287522497 646890146 /nfs/dbraw/zinc/89/01/46/646890146.db2.gz VILNWCNBPIAPDA-UHFFFAOYSA-N 1 0 395.345 2.260 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)Nc1ccc2nccnc2c1Br ZINC000287850129 646898887 /nfs/dbraw/zinc/89/88/87/646898887.db2.gz XEEBLTOQYLJGAC-UHFFFAOYSA-N 1 0 396.289 2.482 20 0 GEADRO CC(C)SCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000288346480 646914494 /nfs/dbraw/zinc/91/44/94/646914494.db2.gz VJUTWSIKIGPGLT-UHFFFAOYSA-N 1 0 381.567 2.432 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000289107135 646924000 /nfs/dbraw/zinc/92/40/00/646924000.db2.gz PSQKZVHAORJHBY-UHFFFAOYSA-N 1 0 383.290 2.117 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000289280048 646928213 /nfs/dbraw/zinc/92/82/13/646928213.db2.gz SLTPXFDAUUIZBB-SNVBAGLBSA-N 1 0 380.436 2.187 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000289302574 646930388 /nfs/dbraw/zinc/93/03/88/646930388.db2.gz SHLFYYDCWMANKV-JOCQHMNTSA-N 1 0 382.302 2.060 20 0 GEADRO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000290583826 647174718 /nfs/dbraw/zinc/17/47/18/647174718.db2.gz ZTTAPMRZLMQSDL-HEHGZKQESA-N 1 0 394.313 2.401 20 0 GEADRO Cn1ncc(I)c1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000292163224 647182842 /nfs/dbraw/zinc/18/28/42/647182842.db2.gz FSPCNIDJVNPRSA-UHFFFAOYSA-N 1 0 390.269 2.017 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C 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CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000294933253 647226948 /nfs/dbraw/zinc/22/69/48/647226948.db2.gz BGWROPFZZDKAOK-YGRLFVJLSA-N 1 0 391.306 2.447 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000294936330 647227735 /nfs/dbraw/zinc/22/77/35/647227735.db2.gz MEZZAIWCRWILJL-GXTWGEPZSA-N 1 0 390.285 2.339 20 0 GEADRO O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296161961 647246085 /nfs/dbraw/zinc/24/60/85/647246085.db2.gz OSZSRQBKKFOCEN-JTQLQIEISA-N 1 0 392.258 2.034 20 0 GEADRO C[C@H](CNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000296430490 647251930 /nfs/dbraw/zinc/25/19/30/647251930.db2.gz MDHIAGSOTLNYLB-CYBMUJFWSA-N 1 0 387.933 2.286 20 0 GEADRO O=C(NCc1cc(Br)cs1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296985029 647258192 /nfs/dbraw/zinc/25/81/92/647258192.db2.gz CHLFJTMZDDXHPR-LBPRGKRZSA-N 1 0 376.320 2.157 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)N1CC(=O)N(CCC(F)(F)F)C1)c1cccs1 ZINC000297836474 647265803 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O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Br)ccc1O ZINC000324461208 647300734 /nfs/dbraw/zinc/30/07/34/647300734.db2.gz YHVVNULAXQVHRQ-UHFFFAOYSA-N 1 0 377.242 2.212 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CN2CCC[C@H]2CO1)COc1c(Cl)cccc1Cl ZINC000325857363 647304029 /nfs/dbraw/zinc/30/40/29/647304029.db2.gz WYDPWRHPAMTZEJ-MJBXVCDLSA-N 1 0 375.296 2.186 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000327721311 647309431 /nfs/dbraw/zinc/30/94/31/647309431.db2.gz KKCOVCDAOOTZMK-CABCVRRESA-N 1 0 386.901 2.422 20 0 GEADRO Cn1cc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(C(F)(F)F)n1 ZINC000328779888 647313379 /nfs/dbraw/zinc/31/33/79/647313379.db2.gz UFSDDRDQPLSYOH-GFCCVEGCSA-N 1 0 380.436 2.078 20 0 GEADRO C[C@H]1CN(C(=O)C2(c3cncc(Br)c3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000328780651 647313466 /nfs/dbraw/zinc/31/34/66/647313466.db2.gz JFELDRRTIXKXBW-ZDUSSCGKSA-N 1 0 396.329 2.179 20 0 GEADRO CN1C(=O)N[C@@H]2CN(Cc3cc4c(cc3Br)OCCCO4)CC[C@@H]21 ZINC000329019559 647314504 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GEADRO O=S(=O)(N[C@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000374182614 647820353 /nfs/dbraw/zinc/82/03/53/647820353.db2.gz JWYGTIRBENGKQB-ZFWWWQNUSA-N 1 0 388.917 2.176 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3cccc(I)c3)C[C@H]21 ZINC000374609487 647822532 /nfs/dbraw/zinc/82/25/32/647822532.db2.gz GBZRAGRVBMOVRS-BPLDGKMQSA-N 1 0 384.261 2.420 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376080108 647838425 /nfs/dbraw/zinc/83/84/25/647838425.db2.gz IVOCBGRTUKHGOG-HUUCEWRRSA-N 1 0 384.322 2.352 20 0 GEADRO Cc1nc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)sc1Br ZINC000376353907 647843101 /nfs/dbraw/zinc/84/31/01/647843101.db2.gz RVFCOZBTGVDRSY-WDEREUQCSA-N 1 0 394.360 2.461 20 0 GEADRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(=O)n1C ZINC000376422501 647845535 /nfs/dbraw/zinc/84/55/35/647845535.db2.gz ASJUKRZKMYALOK-LBPRGKRZSA-N 1 0 382.302 2.203 20 0 GEADRO O=C1NC[C@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@H]12 ZINC000377651894 647863025 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CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000389877231 647891864 /nfs/dbraw/zinc/89/18/64/647891864.db2.gz VPSAMNVVWXHGQH-CMPLNLGQSA-N 1 0 377.304 2.124 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(I)c2)C1 ZINC000398827292 647899986 /nfs/dbraw/zinc/89/99/86/647899986.db2.gz AIBPSKYCNLDMGG-AWEZNQCLSA-N 1 0 388.249 2.132 20 0 GEADRO C[C@H](NC(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1 ZINC000404706290 647908021 /nfs/dbraw/zinc/90/80/21/647908021.db2.gz ZUKWKHIHSAMQPZ-JSGCOSHPSA-N 1 0 392.301 2.385 20 0 GEADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405285652 647910072 /nfs/dbraw/zinc/91/00/72/647910072.db2.gz DSTFXMDNCBGLRE-VIFPVBQESA-N 1 0 399.681 2.469 20 0 GEADRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000407235027 647911804 /nfs/dbraw/zinc/91/18/04/647911804.db2.gz AUZWPJIGWPJIHG-CABCVRRESA-N 1 0 379.302 2.023 20 0 GEADRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000408033179 647920163 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COC(=O)[C@@H]1CN(C(=O)[C@H](C)c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413904663 648083964 /nfs/dbraw/zinc/08/39/64/648083964.db2.gz PTTLVKSSDYWHED-OCCSQVGLSA-N 1 0 383.286 2.116 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)c2ccc(Br)s2)CC[N@H+](C)C1 ZINC000413905278 648083977 /nfs/dbraw/zinc/08/39/77/648083977.db2.gz QKYGXEAODVDZOI-QWRGUYRKSA-N 1 0 389.315 2.177 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CC[N@H+](C)C1 ZINC000413921103 648086440 /nfs/dbraw/zinc/08/64/40/648086440.db2.gz NWDMBPMCLYZZIT-NSHDSACASA-N 1 0 394.269 2.107 20 0 GEADRO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(S(C)(=O)=O)s3)nc2)C1 ZINC000414286879 648090168 /nfs/dbraw/zinc/09/01/68/648090168.db2.gz DDIHDZHHIPESMW-CQSZACIVSA-N 1 0 380.539 2.299 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCOC2CCCC2)cc1Br ZINC000414309113 648091601 /nfs/dbraw/zinc/09/16/01/648091601.db2.gz ULUDPMDFMVOJMB-UHFFFAOYSA-N 1 0 377.304 2.145 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414330114 648094510 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GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1F ZINC000415410584 648102841 /nfs/dbraw/zinc/10/28/41/648102841.db2.gz VESJEIBMBMJAIE-NSHDSACASA-N 1 0 386.265 2.341 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000415475215 648106437 /nfs/dbraw/zinc/10/64/37/648106437.db2.gz HNUHTPCFVONWOV-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[C@]1(CNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCC[NH2+]C1 ZINC000415582123 648106967 /nfs/dbraw/zinc/10/69/67/648106967.db2.gz ONEQDZAHHDXSMZ-HNNXBMFYSA-N 1 0 390.228 2.172 20 0 GEADRO COc1ccc(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(I)c1 ZINC000415592111 648108016 /nfs/dbraw/zinc/10/80/16/648108016.db2.gz DJYXZVGKTHLONK-LDYMZIIASA-N 1 0 375.210 2.111 20 0 GEADRO COc1ccc(NC(=O)NCC2=CC[NH2+]CC2)c(I)c1 ZINC000415601774 648109671 /nfs/dbraw/zinc/10/96/71/648109671.db2.gz XDYYGRRXORGOKH-UHFFFAOYSA-N 1 0 387.221 2.341 20 0 GEADRO CCC[NH2+]CCNC(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000415605151 648110266 /nfs/dbraw/zinc/11/02/66/648110266.db2.gz 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O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415812894 648113911 /nfs/dbraw/zinc/11/39/11/648113911.db2.gz BDFJHTKUBGYSFD-NWDGAFQWSA-N 1 0 398.276 2.375 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000415816029 648114485 /nfs/dbraw/zinc/11/44/85/648114485.db2.gz GPDSOFOPZRHTFC-LLVKDONJSA-N 1 0 386.279 2.146 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000416417801 648120189 /nfs/dbraw/zinc/12/01/89/648120189.db2.gz OVPPICJSUUXODB-KGLIPLIRSA-N 1 0 387.933 2.159 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C(F)F ZINC000416423338 648123195 /nfs/dbraw/zinc/12/31/95/648123195.db2.gz UKSFXLDEWRODSE-GRYCIOLGSA-N 1 0 378.489 2.311 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000416455366 648130406 /nfs/dbraw/zinc/13/04/06/648130406.db2.gz KENNYMVVMCEKTI-LBPRGKRZSA-N 1 0 388.917 2.477 20 0 GEADRO Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 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397.317 2.383 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000416824483 648213815 /nfs/dbraw/zinc/21/38/15/648213815.db2.gz IKNWUYHPPZPCGC-ZDUSSCGKSA-N 1 0 397.317 2.466 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000416825721 648213817 /nfs/dbraw/zinc/21/38/17/648213817.db2.gz YZNCXCUMQXGXTK-CYBMUJFWSA-N 1 0 387.311 2.032 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000416837196 648214451 /nfs/dbraw/zinc/21/44/51/648214451.db2.gz WWVZEIXKRJFJEH-DGCLKSJQSA-N 1 0 383.290 2.075 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000416837687 648214584 /nfs/dbraw/zinc/21/45/84/648214584.db2.gz XREZKILDNWHDMF-SMDDNHRTSA-N 1 0 397.317 2.465 20 0 GEADRO C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417179940 648229281 /nfs/dbraw/zinc/22/92/81/648229281.db2.gz OBHMHJVLLVBSJV-WDEREUQCSA-N 1 0 384.274 2.272 20 0 GEADRO [NH3+]C1(CNC(=O)NCCNC(=O)c2ccc(Br)cc2)CCCCC1 ZINC000417216077 648233183 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C[C@]1(CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000417230475 648235539 /nfs/dbraw/zinc/23/55/39/648235539.db2.gz WJRNDGZKMUOGLQ-KRWDZBQOSA-N 1 0 397.317 2.467 20 0 GEADRO C[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000417231457 648235604 /nfs/dbraw/zinc/23/56/04/648235604.db2.gz YLLLPRRKWKRSJL-OLZOCXBDSA-N 1 0 397.317 2.465 20 0 GEADRO C[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000417231458 648235620 /nfs/dbraw/zinc/23/56/20/648235620.db2.gz YLLLPRRKWKRSJL-QWHCGFSZSA-N 1 0 397.317 2.465 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)[C@H](C[NH3+])C1 ZINC000417237853 648235908 /nfs/dbraw/zinc/23/59/08/648235908.db2.gz KJXXTTBPBPWBKO-GUTXKFCHSA-N 1 0 398.301 2.420 20 0 GEADRO [NH3+]CCN(CCO)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000417248547 648236532 /nfs/dbraw/zinc/23/65/32/648236532.db2.gz BWBIAMGAWKWYID-UHFFFAOYSA-N 1 0 390.311 2.004 20 0 GEADRO [NH3+]C[C@H](NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000417258902 648237022 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C[C@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(Br)cc1 ZINC000417309338 648239175 /nfs/dbraw/zinc/23/91/75/648239175.db2.gz JIXONEUVBAEWNT-JSGCOSHPSA-N 1 0 397.317 2.007 20 0 GEADRO O=C(NCCc1ccccc1Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417314630 648239195 /nfs/dbraw/zinc/23/91/95/648239195.db2.gz ZIRFDAIPZHIHLS-AWEZNQCLSA-N 1 0 378.826 2.018 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417358580 648240199 /nfs/dbraw/zinc/24/01/99/648240199.db2.gz HQEMHZGGAJTLRJ-INIZCTEOSA-N 1 0 395.345 2.255 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc(Br)c1OC ZINC000417374034 648241951 /nfs/dbraw/zinc/24/19/51/648241951.db2.gz KAHMMCWKIBJDLP-GWCFXTLKSA-N 1 0 386.290 2.264 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000417378863 648242497 /nfs/dbraw/zinc/24/24/97/648242497.db2.gz IAHWCHGSIDAVLC-KGLIPLIRSA-N 1 0 386.290 2.105 20 0 GEADRO CCC(CC)[C@H](CNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)[NH+](C)C ZINC000417419210 648243938 /nfs/dbraw/zinc/24/39/38/648243938.db2.gz CPVBOLSFSQCTOO-ZDUSSCGKSA-N 1 0 388.559 2.102 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417431863 648245058 /nfs/dbraw/zinc/24/50/58/648245058.db2.gz RVSQZTOISYNYNP-CYBMUJFWSA-N 1 0 384.318 2.486 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NCCc1ccc(I)s1 ZINC000417436570 648245385 /nfs/dbraw/zinc/24/53/85/648245385.db2.gz FFFYDEYJWASCMZ-JTQLQIEISA-N 1 0 381.283 2.178 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000417436361 648245473 /nfs/dbraw/zinc/24/54/73/648245473.db2.gz OMXAMHAKDRTTQX-SWLSCSKDSA-N 1 0 397.317 2.009 20 0 GEADRO O=C(NCCc1ccc(I)s1)NCC[C@H]1CCC[NH2+]1 ZINC000417438571 648245913 /nfs/dbraw/zinc/24/59/13/648245913.db2.gz JRGPLIWIMVRBMW-SNVBAGLBSA-N 1 0 393.294 2.337 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000417449965 648247372 /nfs/dbraw/zinc/24/73/72/648247372.db2.gz YZIVGVFIRMDWDM-WDEREUQCSA-N 1 0 386.290 2.345 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000417477006 648247809 /nfs/dbraw/zinc/24/78/09/648247809.db2.gz CFSLAVFJDIKEQS-ZDUSSCGKSA-N 1 0 383.290 2.089 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417483609 648249461 /nfs/dbraw/zinc/24/94/61/648249461.db2.gz SIVJLPMUQGGXJA-CRAIPNDOSA-N 1 0 393.329 2.423 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000417490685 648249944 /nfs/dbraw/zinc/24/99/44/648249944.db2.gz SAUYSRCOVXGUPB-WFASDCNBSA-N 1 0 397.317 2.009 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)cc2)CC12CCOCC2 ZINC000417548519 648252096 /nfs/dbraw/zinc/25/20/96/648252096.db2.gz VWPSNCLILWONGJ-AWEZNQCLSA-N 1 0 382.302 2.346 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417588543 648254168 /nfs/dbraw/zinc/25/41/68/648254168.db2.gz FMJBSWNKTGBFLN-GFCCVEGCSA-N 1 0 390.347 2.455 20 0 GEADRO CN(C(=O)N[C@H]1CCN(c2ccccc2Br)C1)C1CC[NH2+]CC1 ZINC000417599308 648255074 /nfs/dbraw/zinc/25/50/74/648255074.db2.gz HIXWJSDKEUBFOS-ZDUSSCGKSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417604988 648255976 /nfs/dbraw/zinc/25/59/76/648255976.db2.gz WNRRHCOPPFMVLD-MELADBBJSA-N 1 0 381.318 2.407 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417605566 648256583 /nfs/dbraw/zinc/25/65/83/648256583.db2.gz YPJJLGBSNXEDGX-SOUVJXGZSA-N 1 0 393.329 2.279 20 0 GEADRO COCC[NH2+]CCNC(=O)NCCCc1ccc(Br)cc1F ZINC000417678254 648258077 /nfs/dbraw/zinc/25/80/77/648258077.db2.gz JHRSPTXDVOLRRS-UHFFFAOYSA-N 1 0 376.270 2.056 20 0 GEADRO [NH3+]CCN(CCO)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000417735286 648260401 /nfs/dbraw/zinc/26/04/01/648260401.db2.gz VQUDIJTZGDEISI-UHFFFAOYSA-N 1 0 384.318 2.224 20 0 GEADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000417741063 648260920 /nfs/dbraw/zinc/26/09/20/648260920.db2.gz SVGICVOXBPDODZ-SNVBAGLBSA-N 1 0 380.798 2.431 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 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2.069 20 0 GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N1CCC[NH2+]CC1 ZINC000417897198 648265704 /nfs/dbraw/zinc/26/57/04/648265704.db2.gz XKSOXNMMVFXLDY-UHFFFAOYSA-N 1 0 395.345 2.418 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000417930018 648266745 /nfs/dbraw/zinc/26/67/45/648266745.db2.gz ATIQKCSEKYQLOY-OAHLLOKOSA-N 1 0 380.901 2.375 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417945782 648266964 /nfs/dbraw/zinc/26/69/64/648266964.db2.gz DNYLEWADZPRWSV-QMTHXVAHSA-N 1 0 376.810 2.354 20 0 GEADRO C[C@H]1COCCN1CC[NH2+]Cc1ccc(F)cc1I ZINC000417967869 648267785 /nfs/dbraw/zinc/26/77/85/648267785.db2.gz NWFFEJSIPGIQSN-NSHDSACASA-N 1 0 378.229 2.241 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000417983486 648268126 /nfs/dbraw/zinc/26/81/26/648268126.db2.gz FQEBYTUMBOROIG-JRPNMDOOSA-N 1 0 385.295 2.477 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)CCCO1 ZINC000418000685 648268786 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[NH3+]C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418074839 648275499 /nfs/dbraw/zinc/27/54/99/648275499.db2.gz DHEIDDUIIGDFCW-FZMZJTMJSA-N 1 0 385.295 2.479 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418087541 648277358 /nfs/dbraw/zinc/27/73/58/648277358.db2.gz HLUXKLKIZSXGJP-IPYPFGDCSA-N 1 0 395.301 2.124 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418088396 648277822 /nfs/dbraw/zinc/27/78/22/648277822.db2.gz KIOJBKXWZCGJPO-WFASDCNBSA-N 1 0 397.317 2.371 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000418093712 648278770 /nfs/dbraw/zinc/27/87/70/648278770.db2.gz HALXSWDWBBLORE-YUELXQCFSA-N 1 0 381.318 2.468 20 0 GEADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N[C@H]1CCC[NH2+]C1 ZINC000418095889 648279067 /nfs/dbraw/zinc/27/90/67/648279067.db2.gz WLJJLBRORCCGRB-AWEZNQCLSA-N 1 0 378.274 2.186 20 0 GEADRO O=C(NCc1ccc(Cl)cc1I)N[C@@H]1CC[NH2+]C1 ZINC000418096939 648279474 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UCNSOSQBMWGZBL-LSDHHAIUSA-N 1 0 387.297 2.242 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCC[NH2+]1 ZINC000418166965 648286282 /nfs/dbraw/zinc/28/62/82/648286282.db2.gz UXXVBWBDNACJHX-PBHICJAKSA-N 1 0 398.301 2.341 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000418198426 648286995 /nfs/dbraw/zinc/28/69/95/648286995.db2.gz VGBMCLWZSUATBV-KBPBESRZSA-N 1 0 384.322 2.067 20 0 GEADRO C[C@H](NC(=O)NCCCN1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000418184942 648287162 /nfs/dbraw/zinc/28/71/62/648287162.db2.gz OBBSXRWDPPWEPB-LBPRGKRZSA-N 1 0 387.297 2.244 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418198428 648287167 /nfs/dbraw/zinc/28/71/67/648287167.db2.gz VGBMCLWZSUATBV-KGLIPLIRSA-N 1 0 384.322 2.067 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1c(Br)cncc1Br ZINC000418230494 648288616 /nfs/dbraw/zinc/28/86/16/648288616.db2.gz AGQPUOQRMBMDAZ-CPCISQLKSA-N 1 0 392.095 2.238 20 0 GEADRO CC1(CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000418238580 648289752 /nfs/dbraw/zinc/28/97/52/648289752.db2.gz XMBFONHMNIYDOE-UHFFFAOYSA-N 1 0 387.933 2.193 20 0 GEADRO C[NH2+]CC1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000418267166 648290650 /nfs/dbraw/zinc/29/06/50/648290650.db2.gz NXUXVEWHJYZXAB-UHFFFAOYSA-N 1 0 380.290 2.466 20 0 GEADRO CSCC1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418274318 648290752 /nfs/dbraw/zinc/29/07/52/648290752.db2.gz SQQNBEZDWMEZRW-RUXDESIVSA-N 1 0 382.496 2.044 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)N(Cc1cccc(Br)c1)C1CC1 ZINC000418290829 648291148 /nfs/dbraw/zinc/29/11/48/648291148.db2.gz TVXCPGJESNIXMN-UHFFFAOYSA-N 1 0 395.345 2.418 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCCC[NH2+]C1CC1 ZINC000418291954 648291167 /nfs/dbraw/zinc/29/11/67/648291167.db2.gz WVBNYNGSRGRMOA-CQSZACIVSA-N 1 0 398.345 2.350 20 0 GEADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418299371 648291740 /nfs/dbraw/zinc/29/17/40/648291740.db2.gz NKUVBYVHVKPJKD-MRXNPFEDSA-N 1 0 397.361 2.317 20 0 GEADRO [NH3+]CCNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000418305536 648292226 /nfs/dbraw/zinc/29/22/26/648292226.db2.gz OMXBKTCAIRMVPM-LBPRGKRZSA-N 1 0 380.246 2.304 20 0 GEADRO CC[NH2+]CCNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418328425 648292903 /nfs/dbraw/zinc/29/29/03/648292903.db2.gz SDFHALNAGKQHGA-UHFFFAOYSA-N 1 0 387.297 2.025 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418330368 648293277 /nfs/dbraw/zinc/29/32/77/648293277.db2.gz CJTYSUYJXDFXKX-VXGBXAGGSA-N 1 0 376.284 2.032 20 0 GEADRO C[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000418331399 648293389 /nfs/dbraw/zinc/29/33/89/648293389.db2.gz CLSXWZCZFFCHDO-YNEHKIRRSA-N 1 0 390.311 2.420 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@H](CO)Cc1ccccc1Br ZINC000418338400 648293735 /nfs/dbraw/zinc/29/37/35/648293735.db2.gz CTFGKMPSUDOHHL-LSDHHAIUSA-N 1 0 398.345 2.289 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@@H](CO)Cc1ccccc1Br ZINC000418338394 648293834 /nfs/dbraw/zinc/29/38/34/648293834.db2.gz CTFGKMPSUDOHHL-CABCVRRESA-N 1 0 398.345 2.289 20 0 GEADRO [NH3+]CCCNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418357488 648294406 /nfs/dbraw/zinc/29/44/06/648294406.db2.gz QSIAJVVNRFEMEA-LLVKDONJSA-N 1 0 384.196 2.149 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000418362908 648294758 /nfs/dbraw/zinc/29/47/58/648294758.db2.gz BKNHCRYJBRLZEQ-LBPRGKRZSA-N 1 0 387.311 2.316 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418380390 648295268 /nfs/dbraw/zinc/29/52/68/648295268.db2.gz HFAWONCHXPDBFH-GFCCVEGCSA-N 1 0 389.363 2.193 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418392540 648296172 /nfs/dbraw/zinc/29/61/72/648296172.db2.gz ZOWZGDWPMRXOMA-OAHLLOKOSA-N 1 0 399.308 2.167 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000418407306 648296917 /nfs/dbraw/zinc/29/69/17/648296917.db2.gz SULVQBYLMJEGSC-HNNXBMFYSA-N 1 0 385.295 2.198 20 0 GEADRO CCC[NH2+]CCNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418476574 648297284 /nfs/dbraw/zinc/29/72/84/648297284.db2.gz ARHBSIMSCPACMF-UHFFFAOYSA-N 1 0 389.363 2.337 20 0 GEADRO CCC[NH2+]CCNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418491041 648298279 /nfs/dbraw/zinc/29/82/79/648298279.db2.gz QRZITDIMQFKUBS-GFCCVEGCSA-N 1 0 390.297 2.038 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000418503520 648298823 /nfs/dbraw/zinc/29/88/23/648298823.db2.gz YBFISNDSVSSLBF-LLVKDONJSA-N 1 0 380.436 2.287 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418505598 648298854 /nfs/dbraw/zinc/29/88/54/648298854.db2.gz FQGPKKJEUFQSJT-OAHLLOKOSA-N 1 0 376.284 2.312 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)CCC1 ZINC000418508523 648299026 /nfs/dbraw/zinc/29/90/26/648299026.db2.gz LAUJJCQCTZRFEC-UHFFFAOYSA-N 1 0 399.308 2.297 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418524671 648300133 /nfs/dbraw/zinc/30/01/33/648300133.db2.gz NJXIRMYZQFAXGN-LLVKDONJSA-N 1 0 376.320 2.278 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NCC2([NH3+])CCC2)c1 ZINC000418531417 648300613 /nfs/dbraw/zinc/30/06/13/648300613.db2.gz WWLRFJNLJMBYDC-AWEZNQCLSA-N 1 0 386.290 2.014 20 0 GEADRO C[C@]1(CNC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CCC[NH2+]C1 ZINC000418538582 648300982 /nfs/dbraw/zinc/30/09/82/648300982.db2.gz LDUHMPLWBONWSU-ZBFHGGJFSA-N 1 0 388.281 2.311 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418553257 648301396 /nfs/dbraw/zinc/30/13/96/648301396.db2.gz SRZYSTFPICYQGI-OAHLLOKOSA-N 1 0 381.318 2.423 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418586288 648303130 /nfs/dbraw/zinc/30/31/30/648303130.db2.gz FIJXSZJSUJGGIB-JQWIXIFHSA-N 1 0 376.320 2.013 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)COc1ncccc1Br ZINC000418587615 648303275 /nfs/dbraw/zinc/30/32/75/648303275.db2.gz GVDSIUXWFYVFPI-DGCLKSJQSA-N 1 0 385.306 2.299 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418590448 648303552 /nfs/dbraw/zinc/30/35/52/648303552.db2.gz JKHJIPJXMYLQQC-MFKMUULPSA-N 1 0 376.320 2.013 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000418597743 648303998 /nfs/dbraw/zinc/30/39/98/648303998.db2.gz YFQAKNCQWGVCFS-WDEREUQCSA-N 1 0 376.320 2.284 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418609091 648304413 /nfs/dbraw/zinc/30/44/13/648304413.db2.gz SGFBOIKAUDEQDR-CQSZACIVSA-N 1 0 383.334 2.274 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@H]1c1ccsc1 ZINC000418605956 648304438 /nfs/dbraw/zinc/30/44/38/648304438.db2.gz AYZKWMKYQNAREG-ZIAGYGMSSA-N 1 0 376.448 2.431 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000418601437 648304451 /nfs/dbraw/zinc/30/44/51/648304451.db2.gz UMHQLKARMMSKQO-QRTARXTBSA-N 1 0 398.345 2.206 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418617169 648305255 /nfs/dbraw/zinc/30/52/55/648305255.db2.gz NFVKXTHINZNQDN-NSHDSACASA-N 1 0 384.855 2.379 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CC[NH2+]1 ZINC000418612791 648305266 /nfs/dbraw/zinc/30/52/66/648305266.db2.gz WAQYXEBNABJOJD-PWSUYJOCSA-N 1 0 376.320 2.155 20 0 GEADRO [NH3+]C[C@H](NC(=O)NC[C@@H](CO)Cc1ccccc1Br)C1CCCC1 ZINC000418627126 648305630 /nfs/dbraw/zinc/30/56/30/648305630.db2.gz TZHGLYRFMJVKEG-GUYCJALGSA-N 1 0 398.345 2.417 20 0 GEADRO COC[C@@]1(CNC(=O)N(C)Cc2ccc(F)cc2Br)CCC[NH2+]1 ZINC000418652908 648306548 /nfs/dbraw/zinc/30/65/48/648306548.db2.gz JRIRXWHMEOAVKW-INIZCTEOSA-N 1 0 388.281 2.498 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418690507 648307170 /nfs/dbraw/zinc/30/71/70/648307170.db2.gz GZYYBVUVVOUVBK-HZMBPMFUSA-N 1 0 376.270 2.438 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418692666 648307281 /nfs/dbraw/zinc/30/72/81/648307281.db2.gz ISBLVHFAZOWJLS-UONOGXRCSA-N 1 0 386.334 2.417 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418685724 648307283 /nfs/dbraw/zinc/30/72/83/648307283.db2.gz DRKYIKGJXQWHRK-RYUDHWBXSA-N 1 0 390.297 2.166 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000418723390 648308360 /nfs/dbraw/zinc/30/83/60/648308360.db2.gz NWNYZPAXDPDIKC-WCQYABFASA-N 1 0 383.290 2.204 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418720498 648308374 /nfs/dbraw/zinc/30/83/74/648308374.db2.gz JXLSTXSBVQKCDE-RYUDHWBXSA-N 1 0 384.278 2.186 20 0 GEADRO C[C@@H](NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)[C@H](C)[NH3+] ZINC000418736119 648308772 /nfs/dbraw/zinc/30/87/72/648308772.db2.gz YCKPYMUDBZNKHP-NWDGAFQWSA-N 1 0 387.297 2.151 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418748150 648309173 /nfs/dbraw/zinc/30/91/73/648309173.db2.gz KFILUQXHUIMUFR-JOYOIKCWSA-N 1 0 398.237 2.030 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418753362 648309344 /nfs/dbraw/zinc/30/93/44/648309344.db2.gz VKEQQIORKKFKQV-SWLSCSKDSA-N 1 0 388.281 2.453 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000418753945 648309511 /nfs/dbraw/zinc/30/95/11/648309511.db2.gz HSCMBTPIMHHRRT-LBPRGKRZSA-N 1 0 378.876 2.226 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000418757946 648309570 /nfs/dbraw/zinc/30/95/70/648309570.db2.gz GOEDUHTVLYTMOH-MLGOLLRUSA-N 1 0 377.897 2.427 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000418758445 648309650 /nfs/dbraw/zinc/30/96/50/648309650.db2.gz JZBINAVTFFYYJT-ZDUSSCGKSA-N 1 0 382.238 2.495 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000418757593 648309734 /nfs/dbraw/zinc/30/97/34/648309734.db2.gz HPSHNBUXCOWKRK-CVEARBPZSA-N 1 0 381.318 2.199 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418761508 648310071 /nfs/dbraw/zinc/31/00/71/648310071.db2.gz KQDHUKWRAXUZIO-LRDDRELGSA-N 1 0 377.897 2.414 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cccc(Cl)c3Cl)C[C@H]21 ZINC000418766670 648310615 /nfs/dbraw/zinc/31/06/15/648310615.db2.gz RCLRKNLAPZYXBV-GZBFAFLISA-N 1 0 384.307 2.238 20 0 GEADRO O=C(NCCc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418768638 648311403 /nfs/dbraw/zinc/31/14/03/648311403.db2.gz UHHVSNWNPOWVDY-MGPQQGTHSA-N 1 0 384.307 2.156 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418775019 648311799 /nfs/dbraw/zinc/31/17/99/648311799.db2.gz RVOCEDUHXNBFHF-WBVHZDCISA-N 1 0 398.345 2.432 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000418773113 648311863 /nfs/dbraw/zinc/31/18/63/648311863.db2.gz XLSYBDFUNHQWIE-HOTGVXAUSA-N 1 0 399.308 2.338 20 0 GEADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418777185 648312056 /nfs/dbraw/zinc/31/20/56/648312056.db2.gz YEUGMWGPKARORT-HUUCEWRRSA-N 1 0 384.318 2.400 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000418775578 648312258 /nfs/dbraw/zinc/31/22/58/648312258.db2.gz ZXUSLZZMMNRWJR-OAHLLOKOSA-N 1 0 395.345 2.242 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418787491 648312701 /nfs/dbraw/zinc/31/27/01/648312701.db2.gz JXUCXQDPJJLHPZ-YCPHGPKFSA-N 1 0 398.345 2.335 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000418789188 648313095 /nfs/dbraw/zinc/31/30/95/648313095.db2.gz LUMHFPICJQQVOF-YCPHGPKFSA-N 1 0 384.318 2.027 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418811354 648313583 /nfs/dbraw/zinc/31/35/83/648313583.db2.gz PURAHUAPWARUMN-GMTAPVOTSA-N 1 0 388.331 2.116 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418816951 648313990 /nfs/dbraw/zinc/31/39/90/648313990.db2.gz LXWYNOHFYISNPJ-RSUWNVLCSA-N 1 0 382.291 2.318 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000418823801 648314815 /nfs/dbraw/zinc/31/48/15/648314815.db2.gz CKDWHONKAYHBBK-RAIGVLPGSA-N 1 0 388.295 2.135 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418838936 648315688 /nfs/dbraw/zinc/31/56/88/648315688.db2.gz WAYBAKFOGCDMKO-ARLBYUKCSA-N 1 0 394.313 2.055 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000418839981 648316275 /nfs/dbraw/zinc/31/62/75/648316275.db2.gz XGLABPTYHRVOMT-RBZYPMLTSA-N 1 0 388.295 2.400 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418844505 648316575 /nfs/dbraw/zinc/31/65/75/648316575.db2.gz MJDRYPXPKPMFEL-IUODEOHRSA-N 1 0 384.318 2.130 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000418844507 648316706 /nfs/dbraw/zinc/31/67/06/648316706.db2.gz MJDRYPXPKPMFEL-SWLSCSKDSA-N 1 0 384.318 2.130 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418860180 648319151 /nfs/dbraw/zinc/31/91/51/648319151.db2.gz LLZHZPOVIONMAS-ZJUUUORDSA-N 1 0 376.259 2.426 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000418874274 648320354 /nfs/dbraw/zinc/32/03/54/648320354.db2.gz ZKOQESAJUUFVRJ-UZMCECQYSA-N 1 0 394.313 2.131 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418938628 648322936 /nfs/dbraw/zinc/32/29/36/648322936.db2.gz GZKIESBHLZNMOB-LRDDRELGSA-N 1 0 394.313 2.059 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418939947 648323015 /nfs/dbraw/zinc/32/30/15/648323015.db2.gz RKRJQWUJVOSAQN-CYBMUJFWSA-N 1 0 396.329 2.101 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)[C@H]1C[NH3+] ZINC000418941378 648323368 /nfs/dbraw/zinc/32/33/68/648323368.db2.gz KIUVCKLGDIRDQC-RLCCDNCMSA-N 1 0 394.313 2.138 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418945606 648323685 /nfs/dbraw/zinc/32/36/85/648323685.db2.gz MYJCZWISMBONEC-HZPDHXFCSA-N 1 0 394.313 2.356 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418946862 648323917 /nfs/dbraw/zinc/32/39/17/648323917.db2.gz OZRTYCLXNTYMTG-CVEARBPZSA-N 1 0 394.313 2.356 20 0 GEADRO C[C@H](CNc1nc(C(F)(F)F)c(Br)s1)N1CC[NH+](C)CC1 ZINC000418949220 648324357 /nfs/dbraw/zinc/32/43/57/648324357.db2.gz RNGZJYJWMUCWNT-MRVPVSSYSA-N 1 0 387.269 2.972 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418951294 648324805 /nfs/dbraw/zinc/32/48/05/648324805.db2.gz XBPKTFZWWSZXQF-DZGCQCFKSA-N 1 0 382.302 2.186 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418953522 648325255 /nfs/dbraw/zinc/32/52/55/648325255.db2.gz WJIVBLMFOQLQFO-HOTGVXAUSA-N 1 0 394.313 2.275 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000418958321 648325601 /nfs/dbraw/zinc/32/56/01/648325601.db2.gz XGLABPTYHRVOMT-GPCCPHFNSA-N 1 0 388.295 2.400 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418974374 648326063 /nfs/dbraw/zinc/32/60/63/648326063.db2.gz RKPOACGTQQXVOC-UHFFFAOYSA-N 1 0 385.295 2.249 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419021073 648327985 /nfs/dbraw/zinc/32/79/85/648327985.db2.gz LUQNGFAORKVXFG-JQRITLKVSA-N 1 0 396.329 2.273 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419028510 648328618 /nfs/dbraw/zinc/32/86/18/648328618.db2.gz WWQIFYQXFFEZHK-DZGCQCFKSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419029631 648328677 /nfs/dbraw/zinc/32/86/77/648328677.db2.gz YUKYUKOVYTURBA-ZENOOKHLSA-N 1 0 396.329 2.001 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)CCc2ccc(Br)cc2)CC1 ZINC000419029633 648328697 /nfs/dbraw/zinc/32/86/97/648328697.db2.gz YVEPPJBBPGGWBX-CYBMUJFWSA-N 1 0 396.329 2.097 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419040125 648329135 /nfs/dbraw/zinc/32/91/35/648329135.db2.gz MAPNOYPBUNGMFT-UONOGXRCSA-N 1 0 384.307 2.110 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419044483 648329447 /nfs/dbraw/zinc/32/94/47/648329447.db2.gz UILWXIRUFJCBKR-UHFFFAOYSA-N 1 0 396.702 2.258 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419040979 648329506 /nfs/dbraw/zinc/32/95/06/648329506.db2.gz JNYVJCYDQQMDQI-GUBZILKMSA-N 1 0 378.420 2.115 20 0 GEADRO Cc1sc(CNC(=O)C(=O)N[C@@H](C)CC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000419046476 648330132 /nfs/dbraw/zinc/33/01/32/648330132.db2.gz QFUKMXWPWOICED-JTQLQIEISA-N 1 0 380.901 2.242 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H](C)Cc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000419051413 648330371 /nfs/dbraw/zinc/33/03/71/648330371.db2.gz GGDYRIDANHNJNW-DZGCQCFKSA-N 1 0 396.329 2.097 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419050955 648330509 /nfs/dbraw/zinc/33/05/09/648330509.db2.gz FEIRRZNIMGHOOP-LLVKDONJSA-N 1 0 390.709 2.208 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419052386 648330685 /nfs/dbraw/zinc/33/06/85/648330685.db2.gz HSOYVYLINYKDSP-ACJLOTCBSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419057305 648331527 /nfs/dbraw/zinc/33/15/27/648331527.db2.gz UHGYXWBDCCYMLA-VNHYZAJKSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419058556 648331849 /nfs/dbraw/zinc/33/18/49/648331849.db2.gz WLSTYFOGFJHXQO-ZIAGYGMSSA-N 1 0 396.329 2.084 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000419060854 648331893 /nfs/dbraw/zinc/33/18/93/648331893.db2.gz CSPFHLWOFJATSS-HNNXBMFYSA-N 1 0 396.329 2.268 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419060620 648331967 /nfs/dbraw/zinc/33/19/67/648331967.db2.gz ZOLFHSCHSQZAMX-GHMZBOCLSA-N 1 0 388.693 2.105 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000419063142 648332107 /nfs/dbraw/zinc/33/21/07/648332107.db2.gz GHDLOIFTCKCHKE-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419068354 648332628 /nfs/dbraw/zinc/33/26/28/648332628.db2.gz SSPMVNOBEYPIOS-XPKDYRNWSA-N 1 0 396.329 2.001 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl)C1CC1 ZINC000419090727 648333291 /nfs/dbraw/zinc/33/32/91/648333291.db2.gz CAHBLVQFICVPET-CQSZACIVSA-N 1 0 390.336 2.196 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419094929 648333432 /nfs/dbraw/zinc/33/34/32/648333432.db2.gz KDPZMBKSXONBDK-FIXISWKDSA-N 1 0 382.291 2.165 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419095048 648333633 /nfs/dbraw/zinc/33/36/33/648333633.db2.gz CBADTKBLXHQSPE-MFKMUULPSA-N 1 0 380.901 2.294 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419095096 648333774 /nfs/dbraw/zinc/33/37/74/648333774.db2.gz LRIQSWUFCIXPHF-UHFFFAOYSA-N 1 0 378.325 2.069 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C1 ZINC000419106262 648334417 /nfs/dbraw/zinc/33/44/17/648334417.db2.gz OFULANMFKNGVKG-GHMZBOCLSA-N 1 0 380.901 2.152 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419124824 648335498 /nfs/dbraw/zinc/33/54/98/648335498.db2.gz IZSGYIMBGGBFII-HZPDHXFCSA-N 1 0 377.897 2.475 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 ZINC000419129740 648335837 /nfs/dbraw/zinc/33/58/37/648335837.db2.gz ADZWAJJAFOTEMP-ZDUSSCGKSA-N 1 0 384.307 2.352 20 0 GEADRO O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419140833 648336789 /nfs/dbraw/zinc/33/67/89/648336789.db2.gz WHLITOQPLSEYFJ-CYBMUJFWSA-N 1 0 388.295 2.137 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000419159524 648338442 /nfs/dbraw/zinc/33/84/42/648338442.db2.gz ZKOQESAJUUFVRJ-YYWXWVFPSA-N 1 0 394.313 2.131 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419168969 648338763 /nfs/dbraw/zinc/33/87/63/648338763.db2.gz TVILSYDVTOAASC-WFASDCNBSA-N 1 0 382.302 2.007 20 0 GEADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccsc1Br ZINC000419178329 648339687 /nfs/dbraw/zinc/33/96/87/648339687.db2.gz FTPPPZMOXIDDMD-UHFFFAOYSA-N 1 0 396.310 2.114 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000419249015 648342768 /nfs/dbraw/zinc/34/27/68/648342768.db2.gz OSUHRHRJKBNMHK-GRYCIOLGSA-N 1 0 388.295 2.135 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419279293 648343876 /nfs/dbraw/zinc/34/38/76/648343876.db2.gz IYHOUGAQQHQLFX-DFBGVHRSSA-N 1 0 384.307 2.394 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419275991 648343967 /nfs/dbraw/zinc/34/39/67/648343967.db2.gz DGPPYPVLVFYLKM-KPZWWZAWSA-N 1 0 384.307 2.395 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419284480 648344471 /nfs/dbraw/zinc/34/44/71/648344471.db2.gz ONIBDQPGFKTJQE-BNOWGMLFSA-N 1 0 384.307 2.109 20 0 GEADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2csc(Br)c2)cc1 ZINC000419287514 648344795 /nfs/dbraw/zinc/34/47/95/648344795.db2.gz RLHVRKUNNKZUBC-JTQLQIEISA-N 1 0 396.310 2.463 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419295827 648345077 /nfs/dbraw/zinc/34/50/77/648345077.db2.gz DEHWPQNCONHROL-CZUORRHYSA-N 1 0 396.329 2.410 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000419328326 648347726 /nfs/dbraw/zinc/34/77/26/648347726.db2.gz ONWNJLYHNBCSNZ-MCIONIFRSA-N 1 0 377.312 2.120 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1c(Cl)ccc(F)c1Cl ZINC000419333117 648348170 /nfs/dbraw/zinc/34/81/70/648348170.db2.gz IJDKZEYYTOMUFK-AXFHLTTASA-N 1 0 388.270 2.378 20 0 GEADRO C[C@@H]1CN(Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C[N@@H+]1CCO ZINC000419341191 648348289 /nfs/dbraw/zinc/34/82/89/648348289.db2.gz NXUZLKGXGZYYDI-OLZOCXBDSA-N 1 0 381.318 2.223 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000419339146 648348376 /nfs/dbraw/zinc/34/83/76/648348376.db2.gz ZVVNDDVCJPAELB-NFAWXSAZSA-N 1 0 377.312 2.120 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)Cc1cccc(Br)c1 ZINC000419360740 648349874 /nfs/dbraw/zinc/34/98/74/648349874.db2.gz MBRMQENLLRSKMG-ZIAGYGMSSA-N 1 0 398.345 2.106 20 0 GEADRO CC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)Cc1cccc(Br)c1 ZINC000419360737 648349880 /nfs/dbraw/zinc/34/98/80/648349880.db2.gz MBRMQENLLRSKMG-KGLIPLIRSA-N 1 0 398.345 2.106 20 0 GEADRO COCCCC[N@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000419387376 648351164 /nfs/dbraw/zinc/35/11/64/648351164.db2.gz QUNVFZDPFREKDL-UHFFFAOYSA-N 1 0 389.327 2.395 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1sccc1Br ZINC000419434304 648352948 /nfs/dbraw/zinc/35/29/48/648352948.db2.gz IVNRIBNZIZODQG-GHMZBOCLSA-N 1 0 376.320 2.107 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419466351 648353446 /nfs/dbraw/zinc/35/34/46/648353446.db2.gz VOYSEQFYZZTURX-ZDUSSCGKSA-N 1 0 396.329 2.087 20 0 GEADRO Cc1cccc(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1Br ZINC000419489815 648354361 /nfs/dbraw/zinc/35/43/61/648354361.db2.gz GOTUGJFFMMPHBI-KGLIPLIRSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419500783 648354607 /nfs/dbraw/zinc/35/46/07/648354607.db2.gz ADJHRJSQHVZDBW-CHWSQXEVSA-N 1 0 396.329 2.039 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000419585067 648357102 /nfs/dbraw/zinc/35/71/02/648357102.db2.gz KAOUTQZUZALAKC-BZNIZROVSA-N 1 0 394.313 2.138 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419585004 648357142 /nfs/dbraw/zinc/35/71/42/648357142.db2.gz JPJBDFJCBLUWGS-XHDPSFHLSA-N 1 0 382.302 2.186 20 0 GEADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419597998 648357807 /nfs/dbraw/zinc/35/78/07/648357807.db2.gz SCTMXFNYRFALBH-ACJTYDJDSA-N 1 0 384.307 2.440 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000419693143 648365698 /nfs/dbraw/zinc/36/56/98/648365698.db2.gz IMDQUJLDUYNMFN-UHFFFAOYSA-N 1 0 399.866 2.351 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1Br ZINC000419701185 648366841 /nfs/dbraw/zinc/36/68/41/648366841.db2.gz YOIQKJDVQLGNJY-GFCCVEGCSA-N 1 0 397.294 2.059 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000419704260 648367482 /nfs/dbraw/zinc/36/74/82/648367482.db2.gz HCQQLRKANQDERV-AXFHLTTASA-N 1 0 388.331 2.274 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000419705343 648367673 /nfs/dbraw/zinc/36/76/73/648367673.db2.gz IPSXWLMDELWFAJ-ZJUUUORDSA-N 1 0 376.320 2.322 20 0 GEADRO C[C@H](NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)s1 ZINC000419709734 648369213 /nfs/dbraw/zinc/36/92/13/648369213.db2.gz NHMCIKIYJODRMQ-GKDVJIACSA-N 1 0 386.315 2.087 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)n1C ZINC000419713750 648369952 /nfs/dbraw/zinc/36/99/52/648369952.db2.gz RTZCUJYOTXDNCK-CYBMUJFWSA-N 1 0 399.308 2.329 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000419719200 648371215 /nfs/dbraw/zinc/37/12/15/648371215.db2.gz XCFIRZRBBLIACV-ZJUUUORDSA-N 1 0 388.331 2.274 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000419735200 648372982 /nfs/dbraw/zinc/37/29/82/648372982.db2.gz VSFFWJXTKWPVDG-OLZOCXBDSA-N 1 0 388.295 2.375 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419745113 648374384 /nfs/dbraw/zinc/37/43/84/648374384.db2.gz JVLLDFKIOUBRND-MRXNPFEDSA-N 1 0 396.329 2.002 20 0 GEADRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419751100 648374977 /nfs/dbraw/zinc/37/49/77/648374977.db2.gz TZYGPGCKFKYRFX-OAHLLOKOSA-N 1 0 391.331 2.127 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419770481 648376619 /nfs/dbraw/zinc/37/66/19/648376619.db2.gz DMMAOZLUSKZCRH-AWEZNQCLSA-N 1 0 386.265 2.011 20 0 GEADRO CN(CC[NH3+])C(=O)C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000419769401 648376770 /nfs/dbraw/zinc/37/67/70/648376770.db2.gz LBJYJQQIGGLEHB-UHFFFAOYSA-N 1 0 396.329 2.184 20 0 GEADRO CC[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)c1cc(F)cc(Br)c1 ZINC000419772570 648377350 /nfs/dbraw/zinc/37/73/50/648377350.db2.gz GPHQBKFFMCBHKS-AWEZNQCLSA-N 1 0 386.265 2.024 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1cc(F)cc(Br)c1 ZINC000419773506 648377415 /nfs/dbraw/zinc/37/74/15/648377415.db2.gz HNDPIYJZGSXVCP-UONOGXRCSA-N 1 0 388.281 2.255 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419784049 648378495 /nfs/dbraw/zinc/37/84/95/648378495.db2.gz TYKFNVFGAAOWRZ-QFWMXSHPSA-N 1 0 398.301 2.021 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N(C)CCC[NH2+]C)c1cc(F)cc(Br)c1 ZINC000419782886 648378540 /nfs/dbraw/zinc/37/85/40/648378540.db2.gz RQNYPXGCXRUTQO-CQSZACIVSA-N 1 0 388.281 2.223 20 0 GEADRO CCOc1c(Br)cc(Br)cc1C[NH2+][C@H](CO)[C@@H](C)O ZINC000419816730 648381440 /nfs/dbraw/zinc/38/14/40/648381440.db2.gz QUIWLAAYBPUYGC-PRHODGIISA-N 1 0 397.107 2.442 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000419818128 648381910 /nfs/dbraw/zinc/38/19/10/648381910.db2.gz MMMILOURWGAQOR-OAHLLOKOSA-N 1 0 396.329 2.101 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1Cl ZINC000419827072 648382712 /nfs/dbraw/zinc/38/27/12/648382712.db2.gz AUKBQTKMNIAWQA-CQSZACIVSA-N 1 0 383.876 2.495 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419831657 648383769 /nfs/dbraw/zinc/38/37/69/648383769.db2.gz UZUNNSADCFCKIH-UMVBOHGHSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000419836633 648384041 /nfs/dbraw/zinc/38/40/41/648384041.db2.gz ZMJRBOUJJVMECC-BBRMVZONSA-N 1 0 396.329 2.097 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419848175 648384977 /nfs/dbraw/zinc/38/49/77/648384977.db2.gz TXLDWAWKXQRZNW-ZDUSSCGKSA-N 1 0 388.295 2.089 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419851028 648385328 /nfs/dbraw/zinc/38/53/28/648385328.db2.gz NHINDWWXMNWAII-UHFFFAOYSA-N 1 0 394.313 2.023 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000419889795 648386901 /nfs/dbraw/zinc/38/69/01/648386901.db2.gz HJZVNZMLVOXECZ-OAGGEKHMSA-N 1 0 381.929 2.343 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419903730 648387395 /nfs/dbraw/zinc/38/73/95/648387395.db2.gz WPDBUDJLKWWIJO-HNNXBMFYSA-N 1 0 382.302 2.054 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419910395 648387813 /nfs/dbraw/zinc/38/78/13/648387813.db2.gz HTBVPFBYGQKHJB-XJKSGUPXSA-N 1 0 394.313 2.228 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419910790 648387884 /nfs/dbraw/zinc/38/78/84/648387884.db2.gz IRDSHGFOMXJPGK-CHWSQXEVSA-N 1 0 382.302 2.084 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419909858 648387917 /nfs/dbraw/zinc/38/79/17/648387917.db2.gz ZKVXMMDAYIIDBR-UKRRQHHQSA-N 1 0 396.329 2.302 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N(CC)Cc1cc(Br)ccc1F ZINC000419911942 648388120 /nfs/dbraw/zinc/38/81/20/648388120.db2.gz UVHFVHOSAJTFNU-UHFFFAOYSA-N 1 0 388.281 2.053 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419913475 648388174 /nfs/dbraw/zinc/38/81/74/648388174.db2.gz MYLKQMMXHCXULL-CQSZACIVSA-N 1 0 396.329 2.302 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419921028 648388690 /nfs/dbraw/zinc/38/86/90/648388690.db2.gz NFARACDZGYZZQW-UHFFFAOYSA-N 1 0 394.313 2.181 20 0 GEADRO COc1ccc(Br)cc1C1(C(=O)NC[C@](C)(O)CC[NH+](C)C)CC1 ZINC000419973518 648392077 /nfs/dbraw/zinc/39/20/77/648392077.db2.gz JCONKHDHVKWDBV-QGZVFWFLSA-N 1 0 399.329 2.308 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419984486 648392752 /nfs/dbraw/zinc/39/27/52/648392752.db2.gz DIKFKRVUHFKNML-CWRNSKLLSA-N 1 0 394.313 2.356 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000419985017 648392789 /nfs/dbraw/zinc/39/27/89/648392789.db2.gz VOSMLBFNPFWXAX-HNNXBMFYSA-N 1 0 384.318 2.286 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419985702 648392801 /nfs/dbraw/zinc/39/28/01/648392801.db2.gz WDIBMRGWQNAMSL-DOMZBBRYSA-N 1 0 388.295 2.073 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000419991899 648393711 /nfs/dbraw/zinc/39/37/11/648393711.db2.gz BQWDZKFHAPMFNX-GFCCVEGCSA-N 1 0 382.302 2.184 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419997230 648394126 /nfs/dbraw/zinc/39/41/26/648394126.db2.gz JRWKAWBGOPQDOX-OLZOCXBDSA-N 1 0 382.302 2.227 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000420000684 648394597 /nfs/dbraw/zinc/39/45/97/648394597.db2.gz QFNQEGKDQAGCFY-INIZCTEOSA-N 1 0 386.283 2.007 20 0 GEADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000420001181 648394623 /nfs/dbraw/zinc/39/46/23/648394623.db2.gz PMYVBZROLVYJFJ-HZPDHXFCSA-N 1 0 394.313 2.371 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1c(O)cnc2c(Br)cccc21 ZINC000420006494 648395122 /nfs/dbraw/zinc/39/51/22/648395122.db2.gz ZAXPWVYDKAHUJK-QGZVFWFLSA-N 1 0 396.285 2.135 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000420014937 648396011 /nfs/dbraw/zinc/39/60/11/648396011.db2.gz LGGBWHOIRIPSGG-QGZVFWFLSA-N 1 0 383.286 2.044 20 0 GEADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000420023301 648396932 /nfs/dbraw/zinc/39/69/32/648396932.db2.gz ANXKZMAYAQBELD-YGRLFVJLSA-N 1 0 388.295 2.181 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420026369 648397049 /nfs/dbraw/zinc/39/70/49/648397049.db2.gz BSYOZSNODRKHJF-ZFWWWQNUSA-N 1 0 382.302 2.041 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000420053905 648398288 /nfs/dbraw/zinc/39/82/88/648398288.db2.gz DYIQLGAREPBIOY-BBRMVZONSA-N 1 0 375.519 2.137 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420052283 648398412 /nfs/dbraw/zinc/39/84/12/648398412.db2.gz CXHFYQPTCZFKIP-HNNXBMFYSA-N 1 0 382.302 2.040 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000420065375 648399318 /nfs/dbraw/zinc/39/93/18/648399318.db2.gz PPERSRPYNXSEDH-BONVTDFDSA-N 1 0 388.295 2.073 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420070773 648399679 /nfs/dbraw/zinc/39/96/79/648399679.db2.gz VSSMTWOUCWZWQN-GDBMZVCRSA-N 1 0 396.329 2.431 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420106712 648401916 /nfs/dbraw/zinc/40/19/16/648401916.db2.gz SBPXWFZETHURIM-SFHVURJKSA-N 1 0 396.329 2.304 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420108397 648401981 /nfs/dbraw/zinc/40/19/81/648401981.db2.gz XFKRKLFFYBWPQA-MLGOLLRUSA-N 1 0 394.313 2.054 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420119153 648402818 /nfs/dbraw/zinc/40/28/18/648402818.db2.gz NDTIRWBLCLLVKW-KCXAZCMYSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420122074 648403215 /nfs/dbraw/zinc/40/32/15/648403215.db2.gz PTWNIZKMKFTVOD-XUJVJEKNSA-N 1 0 382.302 2.083 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)CC[NH2+]1 ZINC000420119869 648403233 /nfs/dbraw/zinc/40/32/33/648403233.db2.gz JNKGIJMDMPLHET-AGIUHOORSA-N 1 0 394.313 2.152 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000420125450 648403897 /nfs/dbraw/zinc/40/38/97/648403897.db2.gz PWGOAHAKGQFPEE-LLVKDONJSA-N 1 0 376.320 2.103 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000420136941 648404903 /nfs/dbraw/zinc/40/49/03/648404903.db2.gz GCTVAYRIIQYBJR-AAEUAGOBSA-N 1 0 388.295 2.087 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420144510 648405319 /nfs/dbraw/zinc/40/53/19/648405319.db2.gz LOQPQUPEWCWVHN-OZVIIMIRSA-N 1 0 394.313 2.152 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000420144507 648405390 /nfs/dbraw/zinc/40/53/90/648405390.db2.gz LOQPQUPEWCWVHN-HWWQOWPSSA-N 1 0 394.313 2.152 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420145021 648405559 /nfs/dbraw/zinc/40/55/59/648405559.db2.gz MYHWSJKAJKLVAQ-LRDDRELGSA-N 1 0 394.313 2.197 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000420150287 648406101 /nfs/dbraw/zinc/40/61/01/648406101.db2.gz KGDORGVAYLDVOV-UHFFFAOYSA-N 1 0 375.519 2.374 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000420167771 648407126 /nfs/dbraw/zinc/40/71/26/648407126.db2.gz JNNYXHZGCRHJRP-IUODEOHRSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420189750 648408805 /nfs/dbraw/zinc/40/88/05/648408805.db2.gz OLWUFPDBYSDVTO-AGIUHOORSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+][C@H]1CCC[C@H](CNc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000420287849 648412930 /nfs/dbraw/zinc/41/29/30/648412930.db2.gz RQFICHCBAVDPKH-RYUDHWBXSA-N 1 0 378.274 2.319 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000420287847 648413055 /nfs/dbraw/zinc/41/30/55/648413055.db2.gz RQFICHCBAVDPKH-NWDGAFQWSA-N 1 0 378.274 2.319 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000420350960 648413395 /nfs/dbraw/zinc/41/33/95/648413395.db2.gz VJLAMZFAQPBIDO-CABCVRRESA-N 1 0 395.345 2.064 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCS(=O)(=O)c1cccc(Br)c1 ZINC000420375557 648414685 /nfs/dbraw/zinc/41/46/85/648414685.db2.gz TXWVXLXYMHMBAU-JMSVASOKSA-N 1 0 375.332 2.199 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(O)(C[NH3+])CC1 ZINC000420404331 648415964 /nfs/dbraw/zinc/41/59/64/648415964.db2.gz NCEHMPFXRHGLGV-JTQLQIEISA-N 1 0 379.810 2.471 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1Br ZINC000420444260 648416434 /nfs/dbraw/zinc/41/64/34/648416434.db2.gz BYTIDHAYEUFPOF-ZDUSSCGKSA-N 1 0 379.320 2.500 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420444323 648416478 /nfs/dbraw/zinc/41/64/78/648416478.db2.gz CIVFLHIHZYDPOJ-WCQYABFASA-N 1 0 380.491 2.060 20 0 GEADRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cncc(Br)c1 ZINC000420469965 648419203 /nfs/dbraw/zinc/41/92/03/648419203.db2.gz WKIJGLZIZRCASR-OAHLLOKOSA-N 1 0 384.299 2.385 20 0 GEADRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cncc(Br)c1 ZINC000420469964 648419265 /nfs/dbraw/zinc/41/92/65/648419265.db2.gz WKIJGLZIZRCASR-HNNXBMFYSA-N 1 0 384.299 2.385 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)ccc2s1 ZINC000420472142 648419692 /nfs/dbraw/zinc/41/96/92/648419692.db2.gz ZAYKHJVAILDRGX-NSHDSACASA-N 1 0 392.449 2.339 20 0 GEADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000420474050 648420264 /nfs/dbraw/zinc/42/02/64/648420264.db2.gz DZCGNGUXSVLBPR-ZDUSSCGKSA-N 1 0 383.543 2.122 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000420475625 648420835 /nfs/dbraw/zinc/42/08/35/648420835.db2.gz GYCZOSSCHVITRI-KOLCDFICSA-N 1 0 377.869 2.043 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)CCSC1 ZINC000420664783 648429988 /nfs/dbraw/zinc/42/99/88/648429988.db2.gz FTPHGYRLAMGSOM-AWEZNQCLSA-N 1 0 384.445 2.143 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000420693654 648436844 /nfs/dbraw/zinc/43/68/44/648436844.db2.gz USILHUFYTVGQFF-JQWIXIFHSA-N 1 0 384.445 2.093 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420740298 648446629 /nfs/dbraw/zinc/44/66/29/648446629.db2.gz QZVBLOGBGCJKIB-GFCCVEGCSA-N 1 0 389.905 2.022 20 0 GEADRO CNC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000420976467 648460657 /nfs/dbraw/zinc/46/06/57/648460657.db2.gz PEEXQFXFEJIHJC-CZUORRHYSA-N 1 0 394.313 2.321 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421201691 648470632 /nfs/dbraw/zinc/47/06/32/648470632.db2.gz PHDNQNOMEBERTF-UHFFFAOYSA-N 1 0 382.302 2.186 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)N1CCc2c1cccc2Br)C1CCCC1 ZINC000421214174 648472197 /nfs/dbraw/zinc/47/21/97/648472197.db2.gz NACOSICUHMLPNN-UHFFFAOYSA-N 1 0 394.313 2.329 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCc3c2cccc3Br)CC[N@@H+]1C ZINC000421224394 648473391 /nfs/dbraw/zinc/47/33/91/648473391.db2.gz LFAJJYAEVLDATQ-CHWSQXEVSA-N 1 0 394.313 2.279 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000421292732 648484775 /nfs/dbraw/zinc/48/47/75/648484775.db2.gz BLNPOESOOUUHTA-NSHDSACASA-N 1 0 375.803 2.433 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000421700080 648505185 /nfs/dbraw/zinc/50/51/85/648505185.db2.gz CZYYGZLRMLEIND-CYBMUJFWSA-N 1 0 383.286 2.315 20 0 GEADRO CON1CCC([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000421872700 648509703 /nfs/dbraw/zinc/50/97/03/648509703.db2.gz HAMWSFPQFRMWPP-SECBINFHSA-N 1 0 382.313 2.317 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)c3cncc(Br)c3)CC2)CC1 ZINC000422006580 648517569 /nfs/dbraw/zinc/51/75/69/648517569.db2.gz MAGZGTPMTUIPNT-UHFFFAOYSA-N 1 0 395.345 2.476 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]1Cc1ccccc1Br ZINC000422120065 648523469 /nfs/dbraw/zinc/52/34/69/648523469.db2.gz TVPNUNPXOOPAFN-HNNXBMFYSA-N 1 0 396.329 2.003 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000422274861 648532331 /nfs/dbraw/zinc/53/23/31/648532331.db2.gz ZNTUHZJDWYHHLX-GFCCVEGCSA-N 1 0 380.901 2.119 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CS1 ZINC000422352167 648539657 /nfs/dbraw/zinc/53/96/57/648539657.db2.gz DQESLTXLXYGOKB-NYTXWWLZSA-N 1 0 381.567 2.257 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000422482600 648550881 /nfs/dbraw/zinc/55/08/81/648550881.db2.gz ZJSZBSCFPZIADZ-UHFFFAOYSA-N 1 0 396.329 2.097 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000422514463 648554520 /nfs/dbraw/zinc/55/45/20/648554520.db2.gz HGHPELKUIVBVMP-XJKSGUPXSA-N 1 0 396.329 2.172 20 0 GEADRO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)C1 ZINC000422548334 648558167 /nfs/dbraw/zinc/55/81/67/648558167.db2.gz YTKHADRZNJTPHR-OLZOCXBDSA-N 1 0 394.313 2.105 20 0 GEADRO CC(C)(CC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000422549845 648558349 /nfs/dbraw/zinc/55/83/49/648558349.db2.gz IHVIAGTUMIYIOW-LBPRGKRZSA-N 1 0 376.906 2.161 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422554165 648558814 /nfs/dbraw/zinc/55/88/14/648558814.db2.gz LTJSJPHHCYJNGS-TUAOUCFPSA-N 1 0 391.331 2.452 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000422634597 648564218 /nfs/dbraw/zinc/56/42/18/648564218.db2.gz KASNJNRBUFEMHF-LBPRGKRZSA-N 1 0 399.276 2.446 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CCC2(CC[NH2+]2)CC1 ZINC000422640746 648564582 /nfs/dbraw/zinc/56/45/82/648564582.db2.gz WCJNGENUPNXBEF-UHFFFAOYSA-N 1 0 396.329 2.114 20 0 GEADRO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422768759 648575320 /nfs/dbraw/zinc/57/53/20/648575320.db2.gz UWHNGSTWFIPSFY-KBPBESRZSA-N 1 0 375.332 2.471 20 0 GEADRO Cc1cc(I)ccc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000422904323 648576172 /nfs/dbraw/zinc/57/61/72/648576172.db2.gz GUSLEUVBECPAJV-UHFFFAOYSA-N 1 0 399.236 2.182 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CNCC[C@@H]2C)c1 ZINC000422907236 648576851 /nfs/dbraw/zinc/57/68/51/648576851.db2.gz LEJJFTZWNVETHZ-LRDDRELGSA-N 1 0 384.318 2.165 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000422992316 648579685 /nfs/dbraw/zinc/57/96/85/648579685.db2.gz RCPANTLQVLYXFW-GOSISDBHSA-N 1 0 394.313 2.010 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000422992318 648580284 /nfs/dbraw/zinc/58/02/84/648580284.db2.gz RCPANTLQVLYXFW-SFHVURJKSA-N 1 0 394.313 2.010 20 0 GEADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423122676 648582970 /nfs/dbraw/zinc/58/29/70/648582970.db2.gz KVTSGVHMYZQDGW-ZBFHGGJFSA-N 1 0 380.286 2.356 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423122999 648582980 /nfs/dbraw/zinc/58/29/80/648582980.db2.gz KOQDDEMGPXMQIQ-CYBMUJFWSA-N 1 0 382.302 2.008 20 0 GEADRO CC(C)(CNC(=O)c1cn(CCC[NH3+])nn1)c1cccc(Br)c1 ZINC000423139518 648584401 /nfs/dbraw/zinc/58/44/01/648584401.db2.gz LALUHKDQXZEOHR-UHFFFAOYSA-N 1 0 380.290 2.097 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000423140202 648584423 /nfs/dbraw/zinc/58/44/23/648584423.db2.gz XSLZKMWAMIYYON-CYBMUJFWSA-N 1 0 390.347 2.301 20 0 GEADRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423153505 648584991 /nfs/dbraw/zinc/58/49/91/648584991.db2.gz HLSUVNQWUUQHEU-YUELXQCFSA-N 1 0 389.309 2.096 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000423163925 648585574 /nfs/dbraw/zinc/58/55/74/648585574.db2.gz RUTFGXWFDPFTTE-KMFMINBZSA-N 1 0 385.346 2.265 20 0 GEADRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1nn(C)cc1I ZINC000423165358 648585981 /nfs/dbraw/zinc/58/59/81/648585981.db2.gz UKXFJPZZQNEOJL-SMDDNHRTSA-N 1 0 384.265 2.073 20 0 GEADRO COC[C@@H](CCC[NH3+])NCc1c(Br)cncc1Br ZINC000423166890 648586014 /nfs/dbraw/zinc/58/60/14/648586014.db2.gz ZSPOLICENQSPQU-SECBINFHSA-N 1 0 381.112 2.450 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000423165155 648586040 /nfs/dbraw/zinc/58/60/40/648586040.db2.gz AOMMDXKZGGPPJL-MAUKXSAKSA-N 1 0 394.313 2.310 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423193687 648587028 /nfs/dbraw/zinc/58/70/28/648587028.db2.gz VWPPZAVFDKMJGK-INIZCTEOSA-N 1 0 382.302 2.041 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNCc1cccnc1 ZINC000423194242 648587261 /nfs/dbraw/zinc/58/72/61/648587261.db2.gz YQSVNYLXNHFCMB-AWEZNQCLSA-N 1 0 379.302 2.164 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC1 ZINC000423252961 648588280 /nfs/dbraw/zinc/58/82/80/648588280.db2.gz YJVOBZVOHRRBHG-CYBMUJFWSA-N 1 0 396.329 2.036 20 0 GEADRO C[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423240615 648588385 /nfs/dbraw/zinc/58/83/85/648588385.db2.gz KTAVAUOGICLTQG-IAQYHMDHSA-N 1 0 398.326 2.447 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000423254454 648588460 /nfs/dbraw/zinc/58/84/60/648588460.db2.gz YCLSUJABJRXMGI-IUODEOHRSA-N 1 0 385.302 2.083 20 0 GEADRO [NH3+]CCCn1cc(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)nn1 ZINC000423284397 648588960 /nfs/dbraw/zinc/58/89/60/648588960.db2.gz YKAAJZSXODCYAT-UHFFFAOYSA-N 1 0 392.674 2.396 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000423355350 648589567 /nfs/dbraw/zinc/58/95/67/648589567.db2.gz FFMRXZLQHSXVCT-INIZCTEOSA-N 1 0 381.929 2.154 20 0 GEADRO CCn1ccnc1[C@@H](NCC1C[NH2+]C1)c1ccc(I)cc1 ZINC000423303177 648589577 /nfs/dbraw/zinc/58/95/77/648589577.db2.gz LFMLERHJJUCXEZ-HNNXBMFYSA-N 1 0 396.276 2.406 20 0 GEADRO COCCNCC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423336605 648589604 /nfs/dbraw/zinc/58/96/04/648589604.db2.gz QNLJEKQSOZBQOL-CYBMUJFWSA-N 1 0 376.282 2.438 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](C[NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000423468622 648591744 /nfs/dbraw/zinc/59/17/44/648591744.db2.gz ORAANTHXCAYIKW-VXGBXAGGSA-N 1 0 388.295 2.026 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000423488629 648592621 /nfs/dbraw/zinc/59/26/21/648592621.db2.gz WHZCJSIOTOZEQQ-CJNGLKHVSA-N 1 0 375.485 2.365 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000423512877 648593604 /nfs/dbraw/zinc/59/36/04/648593604.db2.gz QNZCFFNWFLJIRZ-UHFFFAOYSA-N 1 0 396.329 2.223 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000423560198 648595601 /nfs/dbraw/zinc/59/56/01/648595601.db2.gz KXQMGHGTZGVPBD-STQMWFEESA-N 1 0 382.302 2.179 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000423569147 648596021 /nfs/dbraw/zinc/59/60/21/648596021.db2.gz MHVUSLNDIVFNTB-GHMZBOCLSA-N 1 0 386.315 2.124 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000423573064 648596717 /nfs/dbraw/zinc/59/67/17/648596717.db2.gz YJMMZZHDWXXUET-FRRDWIJNSA-N 1 0 382.302 2.177 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000423590203 648596871 /nfs/dbraw/zinc/59/68/71/648596871.db2.gz FYCOJTWURXAMDU-AWEZNQCLSA-N 1 0 396.329 2.256 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423592270 648597075 /nfs/dbraw/zinc/59/70/75/648597075.db2.gz ICBAQWYTDWJYPT-ZIAGYGMSSA-N 1 0 396.329 2.383 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423647480 648598159 /nfs/dbraw/zinc/59/81/59/648598159.db2.gz MWCZYHHWHZNFTD-GFCCVEGCSA-N 1 0 388.693 2.011 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000423666710 648599028 /nfs/dbraw/zinc/59/90/28/648599028.db2.gz SOEODMCSTFKEOL-OAHLLOKOSA-N 1 0 382.302 2.008 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000423705251 648599912 /nfs/dbraw/zinc/59/99/12/648599912.db2.gz OCPFHUOQGUSGPO-ZDUSSCGKSA-N 1 0 396.329 2.135 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000423721316 648600804 /nfs/dbraw/zinc/60/08/04/648600804.db2.gz DZQLWSNCVMBGHU-LRDDRELGSA-N 1 0 396.329 2.302 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000423719336 648600913 /nfs/dbraw/zinc/60/09/13/648600913.db2.gz FFECWRSKFSLNTK-INIZCTEOSA-N 1 0 396.329 2.051 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)[C@H]1C[NH3+] ZINC000423743040 648601159 /nfs/dbraw/zinc/60/11/59/648601159.db2.gz UZNPVMSAEFYGAP-JQWIXIFHSA-N 1 0 388.331 2.055 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)COC1CC[NH2+]CC1 ZINC000423769036 648601887 /nfs/dbraw/zinc/60/18/87/648601887.db2.gz YASRGDRXYISMTL-UHFFFAOYSA-N 1 0 387.274 2.181 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423950482 648604516 /nfs/dbraw/zinc/60/45/16/648604516.db2.gz NOOXHBKQQOVRIH-UHFFFAOYSA-N 1 0 398.320 2.463 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000423951710 648604759 /nfs/dbraw/zinc/60/47/59/648604759.db2.gz PCAYHXXCFGKYHK-LBPRGKRZSA-N 1 0 396.340 2.151 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000423964739 648605636 /nfs/dbraw/zinc/60/56/36/648605636.db2.gz XLAQCDYIJGHFDG-NSHDSACASA-N 1 0 395.294 2.095 20 0 GEADRO [NH3+]CCC[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000423965598 648605732 /nfs/dbraw/zinc/60/57/32/648605732.db2.gz HYGBWCRMWVYPEA-HNNXBMFYSA-N 1 0 378.270 2.207 20 0 GEADRO [NH3+]CCC[C@@H](NC(=O)c1nc2ncc(Br)cn2n1)c1ccccc1 ZINC000423974270 648606345 /nfs/dbraw/zinc/60/63/45/648606345.db2.gz RWAXXCYRJXKXPK-CYBMUJFWSA-N 1 0 389.257 2.097 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423988936 648607345 /nfs/dbraw/zinc/60/73/45/648607345.db2.gz YWQDNDSKEPVKBP-HFBDOXOYSA-N 1 0 388.331 2.072 20 0 GEADRO CN(CC[NH3+])C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000424003403 648608657 /nfs/dbraw/zinc/60/86/57/648608657.db2.gz KNXPZCJVVQMKLV-UHFFFAOYSA-N 1 0 380.242 2.254 20 0 GEADRO Cc1cc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1Br ZINC000424004450 648609064 /nfs/dbraw/zinc/60/90/64/648609064.db2.gz QTANQKXDBNSIDU-CQSZACIVSA-N 1 0 378.274 2.285 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)C1CCC1 ZINC000424007716 648609690 /nfs/dbraw/zinc/60/96/90/648609690.db2.gz XUFFPPJEZMLQQJ-INIZCTEOSA-N 1 0 384.293 2.360 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000424085864 648611786 /nfs/dbraw/zinc/61/17/86/648611786.db2.gz YWLWFSGOPVFYKO-FZMZJTMJSA-N 1 0 383.290 2.217 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@H]1c1ccc(Br)cc1 ZINC000424218889 648620084 /nfs/dbraw/zinc/62/00/84/648620084.db2.gz XSUAZCXKEVXXCF-XHSDSOJGSA-N 1 0 395.297 2.292 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000424305373 648622636 /nfs/dbraw/zinc/62/26/36/648622636.db2.gz DKDCMAHVVQDRLS-ZWKOTPCHSA-N 1 0 387.567 2.494 20 0 GEADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3nn(C)cc3I)C[C@H]2C1 ZINC000424352559 648623238 /nfs/dbraw/zinc/62/32/38/648623238.db2.gz QDSJHXYXBQHXLU-NWRZOEAASA-N 1 0 375.254 2.318 20 0 GEADRO COc1cc(Br)c(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(OC)c1 ZINC000424384659 648626023 /nfs/dbraw/zinc/62/60/23/648626023.db2.gz VKFYCZOOZZKAHM-XJKSGUPXSA-N 1 0 395.301 2.127 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)NC1CC[NH2+]CC1 ZINC000424478258 648630720 /nfs/dbraw/zinc/63/07/20/648630720.db2.gz MVGPFHLXHMDFGG-UHFFFAOYSA-N 1 0 393.656 2.496 20 0 GEADRO Cc1oc(Br)cc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000424585406 648636648 /nfs/dbraw/zinc/63/66/48/648636648.db2.gz CKTVFSNZWXDEOK-UHFFFAOYSA-N 1 0 393.285 2.427 20 0 GEADRO Cc1oc(Br)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000424823972 648650194 /nfs/dbraw/zinc/65/01/94/648650194.db2.gz BGQCDIVFTKJZBP-YHWZYXNKSA-N 1 0 398.301 2.164 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc21)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000424860703 648653951 /nfs/dbraw/zinc/65/39/51/648653951.db2.gz FFFJBDGNFOVWQP-ZDUSSCGKSA-N 1 0 396.285 2.096 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cc(Cl)ccc2OC(F)F)CC1=O ZINC000425052513 648663061 /nfs/dbraw/zinc/66/30/61/648663061.db2.gz VUEPZMBCAQKENG-SNVBAGLBSA-N 1 0 375.803 2.290 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CCOCC1CC1 ZINC000425161707 648666268 /nfs/dbraw/zinc/66/62/68/648666268.db2.gz YJWVVMRGNKIYFP-UHFFFAOYSA-N 1 0 376.469 2.085 20 0 GEADRO COC(=O)c1cnc([C@H](C)NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC000425209574 648671339 /nfs/dbraw/zinc/67/13/39/648671339.db2.gz URWSJKDDSLIEQJ-NSHDSACASA-N 1 0 383.495 2.031 20 0 GEADRO COCC(C)(C)[NH+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000425509189 648682209 /nfs/dbraw/zinc/68/22/09/648682209.db2.gz SNXBPZYPXMSFPV-HNNXBMFYSA-N 1 0 384.318 2.018 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CSC)C[C@H]1c1ccc(Br)cc1 ZINC000425507932 648682613 /nfs/dbraw/zinc/68/26/13/648682613.db2.gz GVMHQMXONHUZET-QLFBSQMISA-N 1 0 388.327 2.361 20 0 GEADRO CCCCNC(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425719755 648690573 /nfs/dbraw/zinc/69/05/73/648690573.db2.gz CLWDOVBRWYNVAW-UHFFFAOYSA-N 1 0 399.333 2.302 20 0 GEADRO CCCN(C)C(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425747858 648693516 /nfs/dbraw/zinc/69/35/16/648693516.db2.gz WRPCDIBRNYITJW-UHFFFAOYSA-N 1 0 399.333 2.254 20 0 GEADRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1cc(Br)cn1C ZINC000426160905 648706083 /nfs/dbraw/zinc/70/60/83/648706083.db2.gz MEBLQDWJFNRVLC-UHFFFAOYSA-N 1 0 385.350 2.277 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000426195877 648708155 /nfs/dbraw/zinc/70/81/55/648708155.db2.gz ILYLWFJITXMEOF-NSHDSACASA-N 1 0 394.324 2.336 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000428558545 648737090 /nfs/dbraw/zinc/73/70/90/648737090.db2.gz LNSOEMRSUVGZOJ-DZGCQCFKSA-N 1 0 386.334 2.240 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000429108890 648745516 /nfs/dbraw/zinc/74/55/16/648745516.db2.gz IQVDTBZOMCZHCO-CZUORRHYSA-N 1 0 396.329 2.319 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000429141221 648746312 /nfs/dbraw/zinc/74/63/12/648746312.db2.gz 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Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000435725755 648786347 /nfs/dbraw/zinc/78/63/47/648786347.db2.gz ZPEYQPYEMILOQQ-CHWSQXEVSA-N 1 0 376.448 2.026 20 0 GEADRO CN(C(=O)c1n[nH]c2ccc(I)cc21)[C@H]1CCC[NH2+]CC1 ZINC000435751943 648787059 /nfs/dbraw/zinc/78/70/59/648787059.db2.gz VHEKXBMQLZBAOM-NSHDSACASA-N 1 0 398.248 2.382 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000435770016 648787260 /nfs/dbraw/zinc/78/72/60/648787260.db2.gz NGSFKNDRPBAETB-ZDUSSCGKSA-N 1 0 380.432 2.389 20 0 GEADRO COc1cc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c(SC)cc1OC ZINC000435768986 648787392 /nfs/dbraw/zinc/78/73/92/648787392.db2.gz HSXAQIHEFPLOHH-CYBMUJFWSA-N 1 0 388.555 2.187 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435887436 648789273 /nfs/dbraw/zinc/78/92/73/648789273.db2.gz BYTKGBHYPOOEGE-SJKOYZFVSA-N 1 0 381.270 2.226 20 0 GEADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cc(Br)ccc1O ZINC000436923535 648799368 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O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000562976702 651504611 /nfs/dbraw/zinc/50/46/11/651504611.db2.gz URAQWSCSUPEHLR-QMTHXVAHSA-N 1 0 388.320 2.310 20 0 GEADRO O=C(Nc1cnc2c(Br)cccn12)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000563097379 651509488 /nfs/dbraw/zinc/50/94/88/651509488.db2.gz PBUWLMJTUYNTHK-LBPRGKRZSA-N 1 0 389.257 2.470 20 0 GEADRO CC(C)(CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1Br ZINC000563090399 651509518 /nfs/dbraw/zinc/50/95/18/651509518.db2.gz PIFTVUPWGQPGFA-HNNXBMFYSA-N 1 0 396.329 2.101 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604204857 651510438 /nfs/dbraw/zinc/51/04/38/651510438.db2.gz AXXUQLGZNLNYIX-DGCLKSJQSA-N 1 0 388.295 2.269 20 0 GEADRO O=C(NC[C@H]1CCCN(Cc2cccc(O)c2Br)C1)[C@H]1CCC[NH2+]1 ZINC000563137685 651511916 /nfs/dbraw/zinc/51/19/16/651511916.db2.gz DWYPSFOAFGNWKR-UKRRQHHQSA-N 1 0 396.329 2.235 20 0 GEADRO C[NH+](C)CCCNC(=S)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000727087293 651512667 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CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000563241777 651519250 /nfs/dbraw/zinc/51/92/50/651519250.db2.gz BYULHKMLSAGHCX-GFCCVEGCSA-N 1 0 389.905 2.070 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000644085864 651520230 /nfs/dbraw/zinc/52/02/30/651520230.db2.gz YAFZWWOWVUDQCJ-SWLSCSKDSA-N 1 0 382.302 2.024 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC1CC[NH2+]CC1 ZINC000644094684 651520904 /nfs/dbraw/zinc/52/09/04/651520904.db2.gz OXVBLFPOBVEHBE-INIZCTEOSA-N 1 0 396.329 2.319 20 0 GEADRO CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)C1(C[NH3+])CCC1 ZINC000644139685 651522880 /nfs/dbraw/zinc/52/28/80/651522880.db2.gz RXNNZMVNZZZPMX-UHFFFAOYSA-N 1 0 386.265 2.048 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644153589 651523535 /nfs/dbraw/zinc/52/35/35/651523535.db2.gz XJHFMFLAMFSXOH-GXFFZTMASA-N 1 0 392.233 2.460 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3c(F)cccc3Br)CC2)C1=O ZINC000563476130 651526315 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C[C@@H](Cc1ccccc1Br)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000563882590 651546179 /nfs/dbraw/zinc/54/61/79/651546179.db2.gz AZEACMBLICKPET-GXTWGEPZSA-N 1 0 392.301 2.154 20 0 GEADRO O=S1(=O)C[C@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)c2ccccc21 ZINC000563881078 651546243 /nfs/dbraw/zinc/54/62/43/651546243.db2.gz DOKJPRQTQFGSQT-KBPBESRZSA-N 1 0 381.881 2.240 20 0 GEADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000563889245 651547287 /nfs/dbraw/zinc/54/72/87/651547287.db2.gz NXBDBODBCJBTQZ-ZWNOBZJWSA-N 1 0 376.254 2.115 20 0 GEADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000563889242 651547322 /nfs/dbraw/zinc/54/73/22/651547322.db2.gz NXBDBODBCJBTQZ-GXFFZTMASA-N 1 0 376.254 2.115 20 0 GEADRO OC[C@H]([NH2+]Cc1nnc(-c2ccccc2Br)o1)C1CCOCC1 ZINC000564002661 651550368 /nfs/dbraw/zinc/55/03/68/651550368.db2.gz PYBROAXGNXCMSP-AWEZNQCLSA-N 1 0 382.258 2.376 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000564009682 651550804 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O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cc(F)ccc1SCC(F)F ZINC000568393268 651665958 /nfs/dbraw/zinc/66/59/58/651665958.db2.gz NTUYBTXVQUXYIQ-LLVKDONJSA-N 1 0 375.416 2.380 20 0 GEADRO C[C@H](NC(=O)c1cccc2cccc(Br)c21)C(=O)NCC[NH+](C)C ZINC000568413597 651667752 /nfs/dbraw/zinc/66/77/52/651667752.db2.gz KGANVOYACVSRRL-LBPRGKRZSA-N 1 0 392.297 2.398 20 0 GEADRO COc1cc(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(Br)cc1O ZINC000645924372 651670203 /nfs/dbraw/zinc/67/02/03/651670203.db2.gz YYZVPENWKQZCCV-GXFFZTMASA-N 1 0 384.274 2.009 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]Cc2[nH]nc3ccccc32)CC1)C(F)(F)F ZINC000732672213 651670974 /nfs/dbraw/zinc/67/09/74/651670974.db2.gz BHJFGRRRWRLTNV-UHFFFAOYSA-N 1 0 376.404 2.214 20 0 GEADRO O=C(Cc1ccc(I)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000568625101 651672874 /nfs/dbraw/zinc/67/28/74/651672874.db2.gz VSAYYYBDBCXCCY-MRXNPFEDSA-N 1 0 384.261 2.436 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]1Cc1ccccc1Br ZINC000568649986 651674267 /nfs/dbraw/zinc/67/42/67/651674267.db2.gz QHFNLAMROZHOTH-IRXDYDNUSA-N 1 0 385.346 2.395 20 0 GEADRO CO[C@@H](C[NH3+])C(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000646073189 651678144 /nfs/dbraw/zinc/67/81/44/651678144.db2.gz RVCOKUUPUVSVOV-INIZCTEOSA-N 1 0 396.260 2.486 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000568750165 651678764 /nfs/dbraw/zinc/67/87/64/651678764.db2.gz XMLDOTDPPDCDCQ-KRWDZBQOSA-N 1 0 386.901 2.199 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(F)c(Br)cc1Cl ZINC000646174916 651680193 /nfs/dbraw/zinc/68/01/93/651680193.db2.gz OCMHXRMPPWSABI-HNNXBMFYSA-N 1 0 391.668 2.428 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000646220631 651682729 /nfs/dbraw/zinc/68/27/29/651682729.db2.gz PUTZGDQHKFCUSA-CMPLNLGQSA-N 1 0 376.810 2.447 20 0 GEADRO CO[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCOC1 ZINC000568873779 651685967 /nfs/dbraw/zinc/68/59/67/651685967.db2.gz MCKDCSUSZSYBAB-DOMZBBRYSA-N 1 0 394.693 2.237 20 0 GEADRO CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(I)cc1 ZINC000610798302 651687030 /nfs/dbraw/zinc/68/70/30/651687030.db2.gz FKHZWHAFMNKBAZ-CYBMUJFWSA-N 1 0 396.294 2.271 20 0 GEADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000646320173 651687825 /nfs/dbraw/zinc/68/78/25/651687825.db2.gz WUAUBDIDZSIMFU-LLVKDONJSA-N 1 0 397.317 2.375 20 0 GEADRO O=C(c1c[nH]c2ccc(Br)cc12)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646350247 651691388 /nfs/dbraw/zinc/69/13/88/651691388.db2.gz KXSSMVGMGOIFCY-ZDUSSCGKSA-N 1 0 377.286 2.050 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000733165773 651692094 /nfs/dbraw/zinc/69/20/94/651692094.db2.gz LDEWXGVCUNWODU-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)COc1ccc(Br)cc1 ZINC000646448573 651696449 /nfs/dbraw/zinc/69/64/49/651696449.db2.gz BVSCLYCFEBNPBZ-CVEARBPZSA-N 1 0 383.286 2.150 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000733262230 651696751 /nfs/dbraw/zinc/69/67/51/651696751.db2.gz JGGKQLDLDFWBFF-ZDUSSCGKSA-N 1 0 375.694 2.482 20 0 GEADRO C[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccc(Br)s1 ZINC000646458615 651698164 /nfs/dbraw/zinc/69/81/64/651698164.db2.gz BKSMOTFLNFWSSK-GFCCVEGCSA-N 1 0 386.359 2.320 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cc4cc(Br)ccc4[nH]3)C2)CC1 ZINC000646458651 651698400 /nfs/dbraw/zinc/69/84/00/651698400.db2.gz CQBPUDLNCWXTHI-UHFFFAOYSA-N 1 0 391.313 2.250 20 0 GEADRO COC[C@]1(C)NC(=O)N(C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1=O ZINC000733294560 651698909 /nfs/dbraw/zinc/69/89/09/651698909.db2.gz JPXCPJNBCOLVHC-INIZCTEOSA-N 1 0 396.285 2.332 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000569085474 651699129 /nfs/dbraw/zinc/69/91/29/651699129.db2.gz PCXCUSGTCPFHTM-UONOGXRCSA-N 1 0 381.318 2.408 20 0 GEADRO O=C(CC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)Nc1cccc(Br)c1 ZINC000569079983 651699186 /nfs/dbraw/zinc/69/91/86/651699186.db2.gz KBCGNVHMJAKKBW-YOEHRIQHSA-N 1 0 380.286 2.425 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000569090797 651699964 /nfs/dbraw/zinc/69/99/64/651699964.db2.gz OLEGMNKGNCVDKF-ZETCQYMHSA-N 1 0 382.180 2.260 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000569094959 651700624 /nfs/dbraw/zinc/70/06/24/651700624.db2.gz HCCIJGAGSZPCCW-NSHDSACASA-N 1 0 394.306 2.049 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CCCC[NH2+]3)C2=O)ccc1Br ZINC000569123371 651702311 /nfs/dbraw/zinc/70/23/11/651702311.db2.gz LDRWHIQNWBIIAN-HUUCEWRRSA-N 1 0 380.286 2.121 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC000646573145 651703124 /nfs/dbraw/zinc/70/31/24/651703124.db2.gz NLOZXNCMJCCIMM-SNVBAGLBSA-N 1 0 379.766 2.388 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000569238329 651704032 /nfs/dbraw/zinc/70/40/32/651704032.db2.gz LFAYTZPCQHOWJJ-UHFFFAOYSA-N 1 0 389.315 2.350 20 0 GEADRO CCn1c2cc(Br)ccc2nc1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000569240343 651704111 /nfs/dbraw/zinc/70/41/11/651704111.db2.gz PYKOXKDKFXTNPO-UHFFFAOYSA-N 1 0 392.261 2.011 20 0 GEADRO CC[N@@H+]1CCN(C(=O)COc2ccc(I)cc2)C[C@H]1C ZINC000611087521 651705929 /nfs/dbraw/zinc/70/59/29/651705929.db2.gz PBMLZIIKHGSYQW-GFCCVEGCSA-N 1 0 388.249 2.223 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@H](C)[NH+]3CC(C)C3)nc12 ZINC000569376872 651710443 /nfs/dbraw/zinc/71/04/43/651710443.db2.gz IZYLWDDNLAHFJO-ZDUSSCGKSA-N 1 0 379.302 2.404 20 0 GEADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(Br)cn1 ZINC000569387788 651711062 /nfs/dbraw/zinc/71/10/62/651711062.db2.gz GWJMUSGLAZTIRM-UHFFFAOYSA-N 1 0 379.258 2.110 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000569449201 651714277 /nfs/dbraw/zinc/71/42/77/651714277.db2.gz WKDSABAJYGWYBX-LLVKDONJSA-N 1 0 389.315 2.114 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000569603836 651720182 /nfs/dbraw/zinc/72/01/82/651720182.db2.gz ZTWCHKXZXWBOJE-KGLIPLIRSA-N 1 0 394.313 2.403 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000646807406 651720523 /nfs/dbraw/zinc/72/05/23/651720523.db2.gz KRDDTJFTTKEQJC-UHFFFAOYSA-N 1 0 384.929 2.494 20 0 GEADRO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1cncc(Br)c1 ZINC000569745553 651721619 /nfs/dbraw/zinc/72/16/19/651721619.db2.gz RXLLGJQIGRUCGN-AWEZNQCLSA-N 1 0 395.345 2.439 20 0 GEADRO Cc1c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000646846804 651724183 /nfs/dbraw/zinc/72/41/83/651724183.db2.gz WSTFTZQCFPOVTC-MEDUHNTESA-N 1 0 393.285 2.131 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CCO1 ZINC000646846402 651724207 /nfs/dbraw/zinc/72/42/07/651724207.db2.gz RPFKKGHUTIWGGS-SMDDNHRTSA-N 1 0 378.885 2.469 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CCO1 ZINC000646854018 651724232 /nfs/dbraw/zinc/72/42/32/651724232.db2.gz OUYJRVBFUYEDDQ-JQFCIGGWSA-N 1 0 396.329 2.161 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)CCO1 ZINC000646858975 651724886 /nfs/dbraw/zinc/72/48/86/651724886.db2.gz GDYYTDAEMOIGDW-ISTVAULSSA-N 1 0 391.693 2.444 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)COc2ccc(Br)cc2Cl)CCO1 ZINC000646859732 651724890 /nfs/dbraw/zinc/72/48/90/651724890.db2.gz SVKZBQDSKCGONI-ZANVPECISA-N 1 0 377.666 2.056 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)C(=O)Nc1ccc(Cl)cc1Cl)CCO2 ZINC000646890628 651726009 /nfs/dbraw/zinc/72/60/09/651726009.db2.gz ZINOXRDSTXZRJA-UHFFFAOYSA-N 1 0 386.279 2.255 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@H]3CCC[NH2+]CC3)CC2=O)ccc1Br ZINC000646984911 651731966 /nfs/dbraw/zinc/73/19/66/651731966.db2.gz DCYGANZVPKYGBY-KGLIPLIRSA-N 1 0 394.313 2.369 20 0 GEADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000647057489 651732885 /nfs/dbraw/zinc/73/28/85/651732885.db2.gz SGGSUKLUGFBYDD-HEHGZKQESA-N 1 0 390.286 2.183 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647056208 651732913 /nfs/dbraw/zinc/73/29/13/651732913.db2.gz WDACCJYRXDLLDB-CYBMUJFWSA-N 1 0 376.507 2.258 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N[C@@H](C)CCC[NH3+])CC2=O)ccc1Br ZINC000647063540 651733133 /nfs/dbraw/zinc/73/31/33/651733133.db2.gz IQFXNKBCOKGVHW-STQMWFEESA-N 1 0 382.302 2.354 20 0 GEADRO O=C(CC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc(Br)cc1 ZINC000569936333 651735239 /nfs/dbraw/zinc/73/52/39/651735239.db2.gz LDPSGFLLCRKOAX-YOEHRIQHSA-N 1 0 380.286 2.425 20 0 GEADRO CC(C)Cn1nccc1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000647210267 651736545 /nfs/dbraw/zinc/73/65/45/651736545.db2.gz XKFRYAZBADMRQT-OAHLLOKOSA-N 1 0 382.555 2.401 20 0 GEADRO O=C(Nc1nnc(C(F)(F)F)s1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734261987 651740903 /nfs/dbraw/zinc/74/09/03/651740903.db2.gz AAGSESUWYWQWHR-JTQLQIEISA-N 1 0 379.408 2.322 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000570042822 651741685 /nfs/dbraw/zinc/74/16/85/651741685.db2.gz OCEJWXNGRCEZOF-WBVHZDCISA-N 1 0 394.313 2.275 20 0 GEADRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000570048140 651742162 /nfs/dbraw/zinc/74/21/62/651742162.db2.gz JFEBTAGFAKHYTB-CYBMUJFWSA-N 1 0 384.318 2.290 20 0 GEADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647291898 651742293 /nfs/dbraw/zinc/74/22/93/651742293.db2.gz CHTXHKRNLOENSE-CQSZACIVSA-N 1 0 377.279 2.352 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc21 ZINC000647335681 651744498 /nfs/dbraw/zinc/74/44/98/651744498.db2.gz YYCLGVVZIGEKIX-ZIAGYGMSSA-N 1 0 386.315 2.489 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000570072527 651744549 /nfs/dbraw/zinc/74/45/49/651744549.db2.gz YNISYVZRBFMRHT-LLVKDONJSA-N 1 0 393.289 2.115 20 0 GEADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[N@@H+]1C1CC1 ZINC000612102473 651745391 /nfs/dbraw/zinc/74/53/91/651745391.db2.gz BIEMNCWGESXDDH-WPRPVWTQSA-N 1 0 379.258 2.386 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C[C@@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487199 651746388 /nfs/dbraw/zinc/74/63/88/651746388.db2.gz MYQKZBLOEHLLPW-QZTJIDSGSA-N 1 0 382.346 2.194 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000647494877 651748472 /nfs/dbraw/zinc/74/84/72/651748472.db2.gz ZGJQTNZOVJBMFU-BDAKNGLRSA-N 1 0 390.253 2.167 20 0 GEADRO CN(CCN1CC[NH2+]CC1)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000647492640 651748577 /nfs/dbraw/zinc/74/85/77/651748577.db2.gz PFIWSXJGVWLDJJ-UHFFFAOYSA-N 1 0 378.318 2.176 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000647494880 651749090 /nfs/dbraw/zinc/74/90/90/651749090.db2.gz ZGJQTNZOVJBMFU-RKDXNWHRSA-N 1 0 390.253 2.167 20 0 GEADRO O[C@H](CNC[C@H](O)COc1ccc(Cl)c(Cl)c1)C[NH+]1CCCCC1 ZINC000647517806 651749496 /nfs/dbraw/zinc/74/94/96/651749496.db2.gz GGCRUXQJTBORCF-KGLIPLIRSA-N 1 0 377.312 2.170 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000612304857 651751525 /nfs/dbraw/zinc/75/15/25/651751525.db2.gz RTQWYNPRJHBAAO-HZMBPMFUSA-N 1 0 381.270 2.433 20 0 GEADRO CC[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])Cc1cccc(Br)c1 ZINC000570187701 651751634 /nfs/dbraw/zinc/75/16/34/651751634.db2.gz LHBYACHOYBHXMH-PBHICJAKSA-N 1 0 397.361 2.302 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Cl)cc(F)c1Br ZINC000647678941 651754055 /nfs/dbraw/zinc/75/40/55/651754055.db2.gz GNHKOZWYQSXYCX-NSHDSACASA-N 1 0 390.684 2.361 20 0 GEADRO CC[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000570259654 651755989 /nfs/dbraw/zinc/75/59/89/651755989.db2.gz MBXOLQMNBUOKJN-ZBFHGGJFSA-N 1 0 390.933 2.484 20 0 GEADRO C[NH2+][C@@H](C(=O)N1CCc2cc(Br)cc(C)c2C1)c1cnn(C)c1 ZINC000570277261 651756971 /nfs/dbraw/zinc/75/69/71/651756971.db2.gz GNFRHYFIALZVPS-MRXNPFEDSA-N 1 0 377.286 2.336 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000570295089 651759106 /nfs/dbraw/zinc/75/91/06/651759106.db2.gz YXFOYGUHVWWGRU-YMTOWFKASA-N 1 0 395.294 2.202 20 0 GEADRO CN(C)[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CCSC1 ZINC000570322954 651760232 /nfs/dbraw/zinc/76/02/32/651760232.db2.gz PHYXLUCUUOTFLJ-XJKSGUPXSA-N 1 0 378.460 2.472 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000647818219 651760656 /nfs/dbraw/zinc/76/06/56/651760656.db2.gz DNUDBAZSRPULQY-RYUDHWBXSA-N 1 0 383.286 2.349 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000612551417 651761080 /nfs/dbraw/zinc/76/10/80/651761080.db2.gz GJYXFGVMOLIKMT-OAHLLOKOSA-N 1 0 382.302 2.008 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CCO1 ZINC000647865847 651763886 /nfs/dbraw/zinc/76/38/86/651763886.db2.gz VAYAHPCOLODIJT-MLGOLLRUSA-N 1 0 377.286 2.454 20 0 GEADRO Cc1nnc2n1C[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000570421997 651766431 /nfs/dbraw/zinc/76/64/31/651766431.db2.gz GBMZNLUEBUOHQD-STQMWFEESA-N 1 0 385.295 2.485 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000647959565 651767715 /nfs/dbraw/zinc/76/77/15/651767715.db2.gz YGEWQBHJYLKDMG-RYUDHWBXSA-N 1 0 378.311 2.101 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000612750558 651769020 /nfs/dbraw/zinc/76/90/20/651769020.db2.gz AJATZXHCGPINCU-VBNZEHGJSA-N 1 0 382.302 2.476 20 0 GEADRO OC[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1cc(Br)ccc1F ZINC000648041084 651770957 /nfs/dbraw/zinc/77/09/57/651770957.db2.gz GRTVXJFUYAZJRM-STQMWFEESA-N 1 0 397.292 2.267 20 0 GEADRO Brc1cncc([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CNc3ccnn3C2)c1 ZINC000648043022 651771605 /nfs/dbraw/zinc/77/16/05/651771605.db2.gz BLMPMHWMRFKQKS-XFJVYGCCSA-N 1 0 378.274 2.202 20 0 GEADRO C[C@H](CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)n1cc(Br)cn1 ZINC000648107349 651774637 /nfs/dbraw/zinc/77/46/37/651774637.db2.gz CWXKPNWECULEKH-MFKMUULPSA-N 1 0 378.274 2.446 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)CCC(C)(C)[NH3+])C2=O)ccc1Br ZINC000648163978 651775165 /nfs/dbraw/zinc/77/51/65/651775165.db2.gz NRMBFPZFDKGLQI-AWEZNQCLSA-N 1 0 382.302 2.497 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612965980 651776614 /nfs/dbraw/zinc/77/66/14/651776614.db2.gz KVSQEOFBKJXZKG-BXUZGUMPSA-N 1 0 388.295 2.174 20 0 GEADRO CCC[C@@H](C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1)S(N)(=O)=O ZINC000613246743 651778346 /nfs/dbraw/zinc/77/83/46/651778346.db2.gz VBDNZQMUOJGFJU-KRWDZBQOSA-N 1 0 375.579 2.050 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000570665372 651781743 /nfs/dbraw/zinc/78/17/43/651781743.db2.gz UQXKHSGJFXOXTI-UHFFFAOYSA-N 1 0 391.331 2.023 20 0 GEADRO CN(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570666063 651781867 /nfs/dbraw/zinc/78/18/67/651781867.db2.gz XAUCXUJYIBADNP-YIONKMFJSA-N 1 0 385.917 2.038 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000570687410 651783751 /nfs/dbraw/zinc/78/37/51/651783751.db2.gz VBPZTNBFQCWCOH-RHSMWYFYSA-N 1 0 397.317 2.001 20 0 GEADRO C[C@H](CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)n1cc(Br)cn1 ZINC000648384297 651786659 /nfs/dbraw/zinc/78/66/59/651786659.db2.gz ICXXKCURGFKING-HUUCEWRRSA-N 1 0 399.333 2.168 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000613479960 651788110 /nfs/dbraw/zinc/78/81/10/651788110.db2.gz KGJWCXLFDSCFFV-UHFFFAOYSA-N 1 0 399.289 2.119 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000648586472 651790517 /nfs/dbraw/zinc/79/05/17/651790517.db2.gz SQSGHAMBRIFQFS-ABAIWWIYSA-N 1 0 385.302 2.165 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000570852751 651795284 /nfs/dbraw/zinc/79/52/84/651795284.db2.gz YEABUMJYPNSFHK-UHFFFAOYSA-N 1 0 391.335 2.124 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1F ZINC000613766066 651796061 /nfs/dbraw/zinc/79/60/61/651796061.db2.gz MWRGGIRPNBWZQX-LBPRGKRZSA-N 1 0 387.293 2.434 20 0 GEADRO C[C@H](CC(=O)N1CCN(c2cc[nH+]cc2)CC1)n1cc(Br)cn1 ZINC000648718461 651796394 /nfs/dbraw/zinc/79/63/94/651796394.db2.gz KTXFARGJRKZNBZ-CYBMUJFWSA-N 1 0 378.274 2.341 20 0 GEADRO C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000570884173 651797732 /nfs/dbraw/zinc/79/77/32/651797732.db2.gz REQOTYWRVYAVSA-VXGBXAGGSA-N 1 0 390.347 2.089 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570942737 651801600 /nfs/dbraw/zinc/80/16/00/651801600.db2.gz DYEPTSSYRLUCQF-GHMZBOCLSA-N 1 0 378.274 2.076 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570942742 651801774 /nfs/dbraw/zinc/80/17/74/651801774.db2.gz DYEPTSSYRLUCQF-MNOVXSKESA-N 1 0 378.274 2.076 20 0 GEADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000648785212 651802643 /nfs/dbraw/zinc/80/26/43/651802643.db2.gz ZBYADODGNUUGIO-UHFFFAOYSA-N 1 0 395.301 2.176 20 0 GEADRO COC1(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)CCOCC1 ZINC000648860818 651807090 /nfs/dbraw/zinc/80/70/90/651807090.db2.gz FWJLBFLZPMVGHY-UHFFFAOYSA-N 1 0 386.290 2.288 20 0 GEADRO CN(C)[C@]1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCSC1 ZINC000571040212 651807558 /nfs/dbraw/zinc/80/75/58/651807558.db2.gz WWVMLVAWZJOCGG-HOCLYGCPSA-N 1 0 389.359 2.216 20 0 GEADRO Cc1sc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1CS(C)(=O)=O ZINC000571039185 651807612 /nfs/dbraw/zinc/80/76/12/651807612.db2.gz NNTWTEBLYAODAO-CYBMUJFWSA-N 1 0 379.507 2.064 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1F)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000571065567 651809240 /nfs/dbraw/zinc/80/92/40/651809240.db2.gz IWUGKJNKUYHIKI-UHFFFAOYSA-N 1 0 389.924 2.115 20 0 GEADRO CCn1c(SCC(=O)N2CCC3(C[NH+](C)C3)C2)nnc1-c1cccs1 ZINC000614040541 651810103 /nfs/dbraw/zinc/81/01/03/651810103.db2.gz UREQAQYLUIELQU-UHFFFAOYSA-N 1 0 377.539 2.283 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1ccn(-c3ccc(Br)cc3)n1)C2 ZINC000614034478 651810288 /nfs/dbraw/zinc/81/02/88/651810288.db2.gz CZUADBCMYJWVHE-UHFFFAOYSA-N 1 0 375.270 2.413 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2cccc(F)c2Br)C1 ZINC000614064562 651810767 /nfs/dbraw/zinc/81/07/67/651810767.db2.gz PRPYBTGBEXCEQK-KRWDZBQOSA-N 1 0 387.293 2.436 20 0 GEADRO COC(=O)CC1([NH2+]CCc2ccc(F)cc2Cl)CCS(=O)(=O)CC1 ZINC000571096900 651810957 /nfs/dbraw/zinc/81/09/57/651810957.db2.gz CHUMYQCUWODJNC-UHFFFAOYSA-N 1 0 377.865 2.122 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C1 ZINC000614066375 651811329 /nfs/dbraw/zinc/81/13/29/651811329.db2.gz DDCPPIUWTSODDD-SFHVURJKSA-N 1 0 394.313 2.388 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614069911 651811420 /nfs/dbraw/zinc/81/14/20/651811420.db2.gz BFUGXQXZQOMUPQ-QGZVFWFLSA-N 1 0 385.302 2.295 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CCc1ccccc1)c1cccc(Cl)c1 ZINC000571158119 651814270 /nfs/dbraw/zinc/81/42/70/651814270.db2.gz XBFYCCDNTIGTAR-KRWDZBQOSA-N 1 0 382.913 2.202 20 0 GEADRO C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccc(Br)cc1 ZINC000649072280 651814357 /nfs/dbraw/zinc/81/43/57/651814357.db2.gz BPLLREDXMXZWJG-QWHCGFSZSA-N 1 0 382.302 2.131 20 0 GEADRO CCN1C(=O)CN(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000736275292 651817001 /nfs/dbraw/zinc/81/70/01/651817001.db2.gz FIIKIVQYJPNDNY-UHFFFAOYSA-N 1 0 396.285 2.286 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1nn(C(C)(C)C)cc1Br ZINC000614348604 651823188 /nfs/dbraw/zinc/82/31/88/651823188.db2.gz OLLPBSHHMWFESL-LBPRGKRZSA-N 1 0 389.338 2.223 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649342081 651823375 /nfs/dbraw/zinc/82/33/75/651823375.db2.gz LEHFNHZZVMLNRD-KKBVYLPWSA-N 1 0 378.314 2.120 20 0 GEADRO Cc1nc([C@@H]2CCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)n[nH]1 ZINC000571292222 651823510 /nfs/dbraw/zinc/82/35/10/651823510.db2.gz SBHOBLPQSBMHNL-IUODEOHRSA-N 1 0 390.285 2.470 20 0 GEADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)NC[C@@H]1C[NH2+]CCO1 ZINC000649367789 651823962 /nfs/dbraw/zinc/82/39/62/651823962.db2.gz UBVYOJYBKWBJDY-AWEZNQCLSA-N 1 0 396.310 2.220 20 0 GEADRO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000649378587 651824368 /nfs/dbraw/zinc/82/43/68/651824368.db2.gz LLSDMYZDQJPZHK-INIZCTEOSA-N 1 0 396.329 2.434 20 0 GEADRO C[C@H](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)n1cc(Br)cn1 ZINC000614431812 651827172 /nfs/dbraw/zinc/82/71/72/651827172.db2.gz FZLDWQKCRJOAFB-ZBFHGGJFSA-N 1 0 399.333 2.310 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614445941 651827875 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O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc(Br)cc1C(F)(F)F ZINC000571633921 651844900 /nfs/dbraw/zinc/84/49/00/651844900.db2.gz GLVBRQJLEINQAW-LLVKDONJSA-N 1 0 381.192 2.463 20 0 GEADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000571650532 651846344 /nfs/dbraw/zinc/84/63/44/651846344.db2.gz XLAWDJVGSFBWFX-UHFFFAOYSA-N 1 0 396.329 2.037 20 0 GEADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000571746746 651850737 /nfs/dbraw/zinc/85/07/37/651850737.db2.gz VUTMHGQZQVBLNH-ZFWWWQNUSA-N 1 0 382.302 2.360 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Br)cc4c3OCCO4)C2)C1 ZINC000615203412 651855555 /nfs/dbraw/zinc/85/55/55/651855555.db2.gz LYHSHRUVALVVSC-KRWDZBQOSA-N 1 0 381.270 2.388 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000571867006 651858383 /nfs/dbraw/zinc/85/83/83/651858383.db2.gz XQOQUUGHLZYOOD-OAHLLOKOSA-N 1 0 391.317 2.389 20 0 GEADRO C[NH+]1CCN(c2ccncc2NS(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000650451146 651858711 /nfs/dbraw/zinc/85/87/11/651858711.db2.gz 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381.325 2.205 20 0 GEADRO O=C(Cc1ccc(I)cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000572036125 651869306 /nfs/dbraw/zinc/86/93/06/651869306.db2.gz GOJAEBRSHWJPDX-LSDHHAIUSA-N 1 0 384.261 2.338 20 0 GEADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CNC(=O)c1cccc(Br)c1)C2 ZINC000615627189 651869512 /nfs/dbraw/zinc/86/95/12/651869512.db2.gz UGRHEYSDDAAHMG-SFHVURJKSA-N 1 0 394.313 2.123 20 0 GEADRO CN(CC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)C(=O)c1ccc(Br)o1 ZINC000615621765 651869581 /nfs/dbraw/zinc/86/95/81/651869581.db2.gz YUXJJQRVNCKIKA-KRWDZBQOSA-N 1 0 398.301 2.058 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000572082709 651871962 /nfs/dbraw/zinc/87/19/62/651871962.db2.gz ONLSMHONGIMWKC-PBHICJAKSA-N 1 0 377.312 2.306 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(Br)c(F)c2)C[C@H](C)O1 ZINC000572149053 651875818 /nfs/dbraw/zinc/87/58/18/651875818.db2.gz PVYRZPUPMSOXKQ-SCRDCRAPSA-N 1 0 375.282 2.148 20 0 GEADRO CN(Cc1cc(Br)ccc1F)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000572153121 651876386 /nfs/dbraw/zinc/87/63/86/651876386.db2.gz CNEAHACXLACKFZ-CYBMUJFWSA-N 1 0 396.264 2.204 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)sc1C(F)(F)F ZINC000572181015 651877414 /nfs/dbraw/zinc/87/74/14/651877414.db2.gz BMJHMJHTJWNTGU-JTQLQIEISA-N 1 0 378.420 2.209 20 0 GEADRO C[C@@H]1COCC[N@@H+]1C1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000572175962 651877453 /nfs/dbraw/zinc/87/74/53/651877453.db2.gz YJZNOPIDPWQTNJ-CXAGYDPISA-N 1 0 396.329 2.161 20 0 GEADRO O=C(CCCOc1cccc(Br)c1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000572324080 651885228 /nfs/dbraw/zinc/88/52/28/651885228.db2.gz HEYWNXMFBVGSBA-SFHVURJKSA-N 1 0 397.313 2.181 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000572393016 651889231 /nfs/dbraw/zinc/88/92/31/651889231.db2.gz RPKWBQHRIIFBHV-VNHYZAJKSA-N 1 0 394.313 2.436 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)c2ccsc2S1(=O)=O ZINC000572400926 651890232 /nfs/dbraw/zinc/89/02/32/651890232.db2.gz ILVCZAFSHXSQLC-NHYWBVRUSA-N 1 0 379.507 2.313 20 0 GEADRO COC1CC[NH+](C2(CNS(=O)(=O)c3cccnc3Cl)CCCC2)CC1 ZINC000738376834 651894250 /nfs/dbraw/zinc/89/42/50/651894250.db2.gz DRVVBMQJXLNFBN-UHFFFAOYSA-N 1 0 387.933 2.437 20 0 GEADRO OCCCN1CCC[C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000572483120 651895593 /nfs/dbraw/zinc/89/55/93/651895593.db2.gz PNFSYTLWHWKVDZ-ZIAGYGMSSA-N 1 0 377.312 2.170 20 0 GEADRO COc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(C)c1OC ZINC000572557670 651899260 /nfs/dbraw/zinc/89/92/60/651899260.db2.gz CICKKMTYDOWHJA-UHFFFAOYSA-N 1 0 384.523 2.484 20 0 GEADRO COC[C@@H](OC)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000616422965 651899666 /nfs/dbraw/zinc/89/96/66/651899666.db2.gz VMXOITWEUOWLFP-OAHLLOKOSA-N 1 0 388.306 2.047 20 0 GEADRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000572581339 651901553 /nfs/dbraw/zinc/90/15/53/651901553.db2.gz NFBPSSWFQVZBAF-QGZVFWFLSA-N 1 0 394.269 2.232 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000572596616 651902401 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O[C@@H]1CC[N@@H+](C2CN(Cc3nc(-c4cccc(Br)c4)c[nH]3)C2)C1 ZINC000651977878 651909080 /nfs/dbraw/zinc/90/90/80/651909080.db2.gz FMLYSUOYUKTZIY-OAHLLOKOSA-N 1 0 377.286 2.090 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652270991 651912820 /nfs/dbraw/zinc/91/28/20/651912820.db2.gz YEWIDMNTALRQFE-UHFFFAOYSA-N 1 0 384.253 2.085 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000652311239 651914143 /nfs/dbraw/zinc/91/41/43/651914143.db2.gz DUDQFARCTZJJLW-CYBMUJFWSA-N 1 0 390.311 2.422 20 0 GEADRO C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000652312488 651914330 /nfs/dbraw/zinc/91/43/30/651914330.db2.gz RJFSWLCABOGLON-NSHDSACASA-N 1 0 391.331 2.300 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000652320194 651914862 /nfs/dbraw/zinc/91/48/62/651914862.db2.gz VCWSXLYUVLCCNN-MRXNPFEDSA-N 1 0 398.345 2.289 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Cl)c2Cl)C1 ZINC000572826157 651915563 /nfs/dbraw/zinc/91/55/63/651915563.db2.gz IHTKUHUNNFBCNN-LBPRGKRZSA-N 1 0 388.295 2.076 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC2 ZINC000572843319 651916663 /nfs/dbraw/zinc/91/66/63/651916663.db2.gz ZVGQXMNRPFIESB-UHFFFAOYSA-N 1 0 396.329 2.052 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000572879705 651919609 /nfs/dbraw/zinc/91/96/09/651919609.db2.gz SPZZQRFIPQSMMU-NKWVEPMBSA-N 1 0 375.210 2.482 20 0 GEADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cccc3cncc(Br)c32)CC1 ZINC000652634030 651921021 /nfs/dbraw/zinc/92/10/21/651921021.db2.gz MVYZKWJSRVWEBS-UHFFFAOYSA-N 1 0 391.269 2.181 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652642755 651921190 /nfs/dbraw/zinc/92/11/90/651921190.db2.gz JFUVVFGKXNDNEZ-UHFFFAOYSA-N 1 0 398.301 2.211 20 0 GEADRO C[NH+](C)C[C@@H](CNC(=O)CS(=O)(=O)C1CCCC1)c1ccc(Cl)cc1 ZINC000572914374 651921515 /nfs/dbraw/zinc/92/15/15/651921515.db2.gz MWMZUTLHNKZEHM-OAHLLOKOSA-N 1 0 386.945 2.459 20 0 GEADRO CC[N@H+](CCCNC(=O)Cc1ccc(S(N)(=O)=O)s1)C1CCCCC1 ZINC000652755923 651923731 /nfs/dbraw/zinc/92/37/31/651923731.db2.gz QJHHAKFWWGNOBD-UHFFFAOYSA-N 1 0 387.571 2.099 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000573075047 651932924 /nfs/dbraw/zinc/93/29/24/651932924.db2.gz VEVRRIJJOPQPRD-JSGCOSHPSA-N 1 0 387.311 2.060 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000653024218 651933392 /nfs/dbraw/zinc/93/33/92/651933392.db2.gz FHXIXEOFSIDNMA-CXAGYDPISA-N 1 0 385.302 2.134 20 0 GEADRO CCC[N@H+](C)CC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 ZINC000617276636 651935360 /nfs/dbraw/zinc/93/53/60/651935360.db2.gz LOKDMIHSUILJFU-UHFFFAOYSA-N 1 0 397.317 2.008 20 0 GEADRO CC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccccc1Br ZINC000573113953 651935458 /nfs/dbraw/zinc/93/54/58/651935458.db2.gz ZJCWZLXJWJXSED-AWEZNQCLSA-N 1 0 376.316 2.430 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NCCC3(C[NH3+])CC3)CC2=O)ccc1Br ZINC000653217715 651936225 /nfs/dbraw/zinc/93/62/25/651936225.db2.gz CLATWLFGJXVVDJ-ZDUSSCGKSA-N 1 0 394.313 2.356 20 0 GEADRO CC[NH+](CC)CC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 ZINC000617277050 651936308 /nfs/dbraw/zinc/93/63/08/651936308.db2.gz ZNNGLWPJQQVZDZ-UHFFFAOYSA-N 1 0 397.317 2.008 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000653269830 651938162 /nfs/dbraw/zinc/93/81/62/651938162.db2.gz VFFFBBGUMQLYPS-AWEZNQCLSA-N 1 0 394.313 2.308 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000573208863 651941748 /nfs/dbraw/zinc/94/17/48/651941748.db2.gz RYMIPXHZGYKINH-VXGBXAGGSA-N 1 0 391.331 2.245 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000653364472 651942505 /nfs/dbraw/zinc/94/25/05/651942505.db2.gz DBRGTDVKRMSWOZ-CYBMUJFWSA-N 1 0 378.274 2.272 20 0 GEADRO C[C@](O)(C[NH2+]Cc1cc2cc(Br)ccc2o1)CN1CCOCC1 ZINC000573221923 651942876 /nfs/dbraw/zinc/94/28/76/651942876.db2.gz VTPNLBBCEQRDLA-KRWDZBQOSA-N 1 0 383.286 2.368 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000617414399 651944876 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GEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(Br)ccc2N)CC1 ZINC000741814303 651959378 /nfs/dbraw/zinc/95/93/78/651959378.db2.gz ILXVFJRHVSRAIY-UHFFFAOYSA-N 1 0 398.301 2.177 20 0 GEADRO CSc1cc(Br)ccc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000654407541 651959889 /nfs/dbraw/zinc/95/98/89/651959889.db2.gz MHUXDFXGVGDXIE-UHFFFAOYSA-N 1 0 386.359 2.490 20 0 GEADRO CSC1(CNS(=O)(=O)c2ccccc2-c2ccno2)CC[NH+](C)CC1 ZINC000573496692 651960785 /nfs/dbraw/zinc/96/07/85/651960785.db2.gz SQTGECWLJBLLPY-UHFFFAOYSA-N 1 0 381.523 2.447 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000573534164 651962554 /nfs/dbraw/zinc/96/25/54/651962554.db2.gz ZUBNUWDLHCOFET-LBPRGKRZSA-N 1 0 385.306 2.416 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000654549606 651963466 /nfs/dbraw/zinc/96/34/66/651963466.db2.gz XKRKPEWVWFGXGG-NSHDSACASA-N 1 0 388.331 2.182 20 0 GEADRO Cn1cc(Br)cc1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617698674 651963712 /nfs/dbraw/zinc/96/37/12/651963712.db2.gz 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ZINC000617765087 651971969 /nfs/dbraw/zinc/97/19/69/651971969.db2.gz SYRGJJLRBCCLIR-UHFFFAOYSA-N 1 0 383.949 2.415 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000655035421 651973170 /nfs/dbraw/zinc/97/31/70/651973170.db2.gz UGRHHQIAMXCGJJ-HNNXBMFYSA-N 1 0 394.313 2.403 20 0 GEADRO CCOC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000573678249 651973325 /nfs/dbraw/zinc/97/33/25/651973325.db2.gz SHGXYNVMGZABNM-HOCLYGCPSA-N 1 0 385.302 2.240 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000573684137 651973807 /nfs/dbraw/zinc/97/38/07/651973807.db2.gz FSGMGDHGSOJOSS-STQMWFEESA-N 1 0 384.318 2.428 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC(C)(C)CO ZINC000742372772 651986311 /nfs/dbraw/zinc/98/63/11/651986311.db2.gz WBUDUQZJARZHAX-CYBMUJFWSA-N 1 0 377.938 2.093 20 0 GEADRO Cn1cc([C@@H](O)C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)cn1 ZINC000742375864 651987050 /nfs/dbraw/zinc/98/70/50/651987050.db2.gz IPCPREQBPDZANW-HNNXBMFYSA-N 1 0 376.258 2.396 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655345754 651987530 /nfs/dbraw/zinc/98/75/30/651987530.db2.gz CEQDXGIXGNCYIO-JKSUJKDBSA-N 1 0 394.313 2.312 20 0 GEADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000573917632 651988829 /nfs/dbraw/zinc/98/88/29/651988829.db2.gz AWIFSRSJDACHKY-AAEUAGOBSA-N 1 0 377.901 2.301 20 0 GEADRO O=Cc1ccc(OCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000742649535 651995677 /nfs/dbraw/zinc/99/56/77/651995677.db2.gz NTKCLJQLLWYWHH-CQSZACIVSA-N 1 0 381.270 2.241 20 0 GEADRO COc1cc(CN(C)[C@@H]2CC[NH2+]C2)cc(I)c1OC ZINC000574082738 652000453 /nfs/dbraw/zinc/00/04/53/652000453.db2.gz UBRBWOBKQHBRMQ-LLVKDONJSA-N 1 0 376.238 2.102 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655632430 652001613 /nfs/dbraw/zinc/00/16/13/652001613.db2.gz KSOHLNPSBFWUJN-KLPPZKSPSA-N 1 0 377.304 2.076 20 0 GEADRO Cc1cc(C)c(Br)c(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000618307940 652003934 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COc1cc(C[NH2+]C2CN(C(C)=O)C2)cc(Br)c1OC(F)F ZINC000655804125 652012246 /nfs/dbraw/zinc/01/22/46/652012246.db2.gz QTLUUVVEUIUSCU-UHFFFAOYSA-N 1 0 379.201 2.379 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2CCS(=O)(=O)c1cccc(Br)c1 ZINC000655943117 652014205 /nfs/dbraw/zinc/01/42/05/652014205.db2.gz GQIDFGRXLHGMIP-UHFFFAOYSA-N 1 0 387.343 2.426 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1 ZINC000574287890 652014173 /nfs/dbraw/zinc/01/41/73/652014173.db2.gz XPSZKAKIVLFYMW-UHFFFAOYSA-N 1 0 382.404 2.112 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)C(F)(F)F ZINC000655959873 652016146 /nfs/dbraw/zinc/01/61/46/652016146.db2.gz XQZPUKILAAGHPQ-QMMMGPOBSA-N 1 0 388.571 2.047 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)s1 ZINC000618459515 652018152 /nfs/dbraw/zinc/01/81/52/652018152.db2.gz VJJUAZKVYSJBGL-KBPBESRZSA-N 1 0 387.571 2.346 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000574401003 652019211 /nfs/dbraw/zinc/01/92/11/652019211.db2.gz AHEZNILRRMOJNT-QWRGUYRKSA-N 1 0 388.331 2.359 20 0 GEADRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000574487912 652025076 /nfs/dbraw/zinc/02/50/76/652025076.db2.gz DPDQQBJVZRXCNC-IUODEOHRSA-N 1 0 380.286 2.440 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000574521700 652027114 /nfs/dbraw/zinc/02/71/14/652027114.db2.gz ZXGMCAUYSGJDMZ-ZIAGYGMSSA-N 1 0 385.917 2.173 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1noc2ccc(Br)cc12 ZINC000574650702 652034290 /nfs/dbraw/zinc/03/42/90/652034290.db2.gz HTHSYSSFXGCVAN-ZDUSSCGKSA-N 1 0 398.301 2.342 20 0 GEADRO C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000574685136 652036335 /nfs/dbraw/zinc/03/63/35/652036335.db2.gz ZXBSOCBEMLBEHM-PNBKFKSVSA-N 1 0 385.346 2.440 20 0 GEADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000618901673 652037130 /nfs/dbraw/zinc/03/71/30/652037130.db2.gz FNTBUJIHMOBDGN-CABCVRRESA-N 1 0 385.917 2.040 20 0 GEADRO CO[C@H](C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCOC1 ZINC000656675489 652045623 /nfs/dbraw/zinc/04/56/23/652045623.db2.gz AQFDXMXXGUBPAA-VBNZEHGJSA-N 1 0 383.286 2.196 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000656694238 652046027 /nfs/dbraw/zinc/04/60/27/652046027.db2.gz IPUMAAMJUWDBLC-QGZVFWFLSA-N 1 0 388.339 2.452 20 0 GEADRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000656694232 652046052 /nfs/dbraw/zinc/04/60/52/652046052.db2.gz IPUMAAMJUWDBLC-KRWDZBQOSA-N 1 0 388.339 2.452 20 0 GEADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H](O)C(F)F ZINC000574841054 652046396 /nfs/dbraw/zinc/04/63/96/652046396.db2.gz UHXWKMYFZPKNBZ-KCJUWKMLSA-N 1 0 378.441 2.474 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000656705795 652046474 /nfs/dbraw/zinc/04/64/74/652046474.db2.gz UJZNVHBXJPXVGI-HNNXBMFYSA-N 1 0 379.444 2.413 20 0 GEADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1 ZINC000656704088 652046833 /nfs/dbraw/zinc/04/68/33/652046833.db2.gz FIGPVMGAQBJKIZ-AWEZNQCLSA-N 1 0 375.918 2.193 20 0 GEADRO O[C@@H](C[NH2+]CC1(Cc2ccc(Br)cc2)CC1)CN1CCOCC1 ZINC000656708631 652047290 /nfs/dbraw/zinc/04/72/90/652047290.db2.gz IFBBHQMSIHCALM-KRWDZBQOSA-N 1 0 383.330 2.055 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000574860404 652047522 /nfs/dbraw/zinc/04/75/22/652047522.db2.gz DZJWCEDBGGVXCF-XHDPSFHLSA-N 1 0 388.281 2.263 20 0 GEADRO [NH3+]C[C@@H](NCc1cc(=O)n2cc(Br)ccc2n1)C1CCCCC1 ZINC000574863761 652047916 /nfs/dbraw/zinc/04/79/16/652047916.db2.gz ODPZAHAAOBFWCO-OAHLLOKOSA-N 1 0 379.302 2.454 20 0 GEADRO C[C@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)C1 ZINC000574926239 652052442 /nfs/dbraw/zinc/05/24/42/652052442.db2.gz XTIAJDZWNDYDHH-JTQLQIEISA-N 1 0 389.880 2.200 20 0 GEADRO CSC1(CNS(=O)(=O)N2CC[C@H]3CCCC[C@@H]3C2)CC[NH+](C)CC1 ZINC000574945898 652053561 /nfs/dbraw/zinc/05/35/61/652053561.db2.gz HBCCRKKZGYPRKS-HZPDHXFCSA-N 1 0 375.604 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2.269 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000575203124 652068970 /nfs/dbraw/zinc/06/89/70/652068970.db2.gz FIJYWFZFOFVWAP-IIMNLJJBSA-N 1 0 379.810 2.293 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)CCc1ccccc1Cl ZINC000656940868 652069926 /nfs/dbraw/zinc/06/99/26/652069926.db2.gz UJGQFJXWQLOKNK-NJAFHUGGSA-N 1 0 386.945 2.396 20 0 GEADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000656946484 652071723 /nfs/dbraw/zinc/07/17/23/652071723.db2.gz BGEDQPFPQICDJV-LBPRGKRZSA-N 1 0 383.436 2.030 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000575787512 652077843 /nfs/dbraw/zinc/07/78/43/652077843.db2.gz WMNIKVNMDFMHED-KPZWWZAWSA-N 1 0 399.304 2.340 20 0 GEADRO Cn1ccnc1Sc1ncc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000575865835 652083255 /nfs/dbraw/zinc/08/32/55/652083255.db2.gz VMIPXRNGGPDBFC-JKOKRWQUSA-N 1 0 377.901 2.429 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000575923087 652084998 /nfs/dbraw/zinc/08/49/98/652084998.db2.gz VXBOLHUDTZIXLB-SRVKXCTJSA-N 1 0 390.311 2.461 20 0 GEADRO CCN1C[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1=O ZINC000576029962 652091197 /nfs/dbraw/zinc/09/11/97/652091197.db2.gz HZWGSCNZAVBZIK-NEPJUHHUSA-N 1 0 391.693 2.053 20 0 GEADRO O=S(=O)(C[C@@H]1CCCC1(F)F)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000657042111 652092001 /nfs/dbraw/zinc/09/20/01/652092001.db2.gz NGDYHVOXRLLYRQ-HNNXBMFYSA-N 1 0 380.501 2.232 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)NCC[N@@H+]3CC[C@@H](C)C3)cc2s1 ZINC000746045443 652094014 /nfs/dbraw/zinc/09/40/14/652094014.db2.gz GHJONIQXLHREFM-LLVKDONJSA-N 1 0 378.523 2.415 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C)n2)C[C@H]1C ZINC000576068983 652094310 /nfs/dbraw/zinc/09/43/10/652094310.db2.gz DENCBAMVTATIGT-DGCLKSJQSA-N 1 0 397.317 2.422 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000746364236 652101347 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CN(CCC[NH+](C)C)CCNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000657092172 652112019 /nfs/dbraw/zinc/11/20/19/652112019.db2.gz QTGTUXDRWCEILF-UHFFFAOYSA-N 1 0 382.357 2.296 20 0 GEADRO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(Br)c[nH]2)C1 ZINC000620723645 652114277 /nfs/dbraw/zinc/11/42/77/652114277.db2.gz KMZKLLGJRBHALW-INIZCTEOSA-N 1 0 391.313 2.323 20 0 GEADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000576420064 652115984 /nfs/dbraw/zinc/11/59/84/652115984.db2.gz XAEXENZBJWDEIZ-UONOGXRCSA-N 1 0 387.571 2.042 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000746603976 652116662 /nfs/dbraw/zinc/11/66/62/652116662.db2.gz XQGXEEMRFVCKNP-ZDUSSCGKSA-N 1 0 385.965 2.153 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000576438846 652118111 /nfs/dbraw/zinc/11/81/11/652118111.db2.gz YWNOYGSREWGCKU-MRXNPFEDSA-N 1 0 382.917 2.034 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)NCC1CC[NH+](CC2CC2)CC1 ZINC000620928201 652127997 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C[C@]1(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCC[NH2+]C1 ZINC000576754388 652142612 /nfs/dbraw/zinc/14/26/12/652142612.db2.gz OSIBMTBEWRRIDG-YJBOKZPZSA-N 1 0 394.313 2.308 20 0 GEADRO CC(C)(C)[C@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000576817157 652144723 /nfs/dbraw/zinc/14/47/23/652144723.db2.gz CBLDBBMRMIJVBY-CQSZACIVSA-N 1 0 393.347 2.114 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CCC[C@H](C[NH3+])C1 ZINC000576823915 652146331 /nfs/dbraw/zinc/14/63/31/652146331.db2.gz XLHLTNFCAFNLAK-VXGBXAGGSA-N 1 0 387.265 2.289 20 0 GEADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000576920795 652154335 /nfs/dbraw/zinc/15/43/35/652154335.db2.gz MVOPCDVYGLJUJE-VVLHAWIVSA-N 1 0 394.313 2.467 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c(Cl)cc1Cl ZINC000747279309 652154809 /nfs/dbraw/zinc/15/48/09/652154809.db2.gz IDIPXNFAHOVHHW-JTQLQIEISA-N 1 0 395.308 2.400 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000576967948 652159541 /nfs/dbraw/zinc/15/95/41/652159541.db2.gz HRVYKGDJZMKIQW-LSDHHAIUSA-N 1 0 386.901 2.422 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657303388 652160173 /nfs/dbraw/zinc/16/01/73/652160173.db2.gz NVMSUCKSARCFSM-UHFFFAOYSA-N 1 0 376.320 2.056 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000576990124 652160774 /nfs/dbraw/zinc/16/07/74/652160774.db2.gz PFBXBWKFJVAKQJ-SNVBAGLBSA-N 1 0 380.539 2.362 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Cc1cccc(I)c1 ZINC000576988164 652160855 /nfs/dbraw/zinc/16/08/55/652160855.db2.gz IIBDJZONOJRYID-FFMGESDNSA-N 1 0 384.261 2.466 20 0 GEADRO CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000747382897 652161011 /nfs/dbraw/zinc/16/10/11/652161011.db2.gz BYURXSWZTPPMEZ-KRWDZBQOSA-N 1 0 379.551 2.138 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000747400056 652161937 /nfs/dbraw/zinc/16/19/37/652161937.db2.gz ZQGRYDGURNCCBN-UHFFFAOYSA-N 1 0 387.933 2.294 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(C(F)(F)F)nn2C)c(C)s1 ZINC000657414052 652163907 /nfs/dbraw/zinc/16/39/07/652163907.db2.gz WUBDHMGZDMTLPC-UHFFFAOYSA-N 1 0 396.460 2.185 20 0 GEADRO O=C1[C@H]([NH2+]Cc2cnc3n2CCC3)CCN1c1cccc(Br)c1 ZINC000657451369 652165015 /nfs/dbraw/zinc/16/50/15/652165015.db2.gz QTTQOLHIISPOLC-OAHLLOKOSA-N 1 0 375.270 2.487 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000657463714 652165755 /nfs/dbraw/zinc/16/57/55/652165755.db2.gz GDLWYFJILKYORK-IUODEOHRSA-N 1 0 390.347 2.350 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1ccnn1CC1CC1)c1ccc(Cl)cc1F ZINC000657457755 652165926 /nfs/dbraw/zinc/16/59/26/652165926.db2.gz CAIQBOWBRMNTMR-UHFFFAOYSA-N 1 0 386.880 2.154 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000621625595 652165773 /nfs/dbraw/zinc/16/57/73/652165773.db2.gz CCWFEAPNWREYQC-AWEZNQCLSA-N 1 0 387.571 2.175 20 0 GEADRO CC[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cc(C)ccc2Br)CO1 ZINC000657465654 652167072 /nfs/dbraw/zinc/16/70/72/652167072.db2.gz DIVLSINXKSGTDU-OLZOCXBDSA-N 1 0 391.331 2.193 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000657504053 652167901 /nfs/dbraw/zinc/16/79/01/652167901.db2.gz DDTFUHTYVFCYDQ-UHFFFAOYSA-N 1 0 382.302 2.141 20 0 GEADRO [NH3+]CC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C(F)(F)F ZINC000577184400 652169041 /nfs/dbraw/zinc/16/90/41/652169041.db2.gz DGCGXJSXVICRLP-LBPRGKRZSA-N 1 0 392.175 2.300 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1Br)OCO2 ZINC000621852745 652169077 /nfs/dbraw/zinc/16/90/77/652169077.db2.gz HVKPNIMVKJISDN-LLVKDONJSA-N 1 0 385.258 2.018 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621934134 652171256 /nfs/dbraw/zinc/17/12/56/652171256.db2.gz IASZYFJZLBDCFE-UHFFFAOYSA-N 1 0 399.285 2.097 20 0 GEADRO CC(C)(C)c1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cn1 ZINC000657563940 652173362 /nfs/dbraw/zinc/17/33/62/652173362.db2.gz NDVPISNHSGHGAG-UHFFFAOYSA-N 1 0 392.301 2.451 20 0 GEADRO O=S1(=O)CCCN1CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000747656285 652173504 /nfs/dbraw/zinc/17/35/04/652173504.db2.gz ISTWEIHVXVKNEV-KRWDZBQOSA-N 1 0 380.535 2.319 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622014542 652174977 /nfs/dbraw/zinc/17/49/77/652174977.db2.gz HEKZSKKWOQLLIU-YMTOWFKASA-N 1 0 393.278 2.099 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)CCCOc1ccc(I)cc1 ZINC000577279156 652176476 /nfs/dbraw/zinc/17/64/76/652176476.db2.gz AIGYZGFVPUIMJN-LBPRGKRZSA-N 1 0 376.238 2.304 20 0 GEADRO OCCO[C@]1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CCOC1 ZINC000657597037 652177186 /nfs/dbraw/zinc/17/71/86/652177186.db2.gz JMKFJSPAEWAKSU-HNNXBMFYSA-N 1 0 396.228 2.308 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000577306822 652177980 /nfs/dbraw/zinc/17/79/80/652177980.db2.gz BQPGLDHEWAFWTH-KRWDZBQOSA-N 1 0 384.933 2.424 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC000747763689 652178044 /nfs/dbraw/zinc/17/80/44/652178044.db2.gz QADYXCZJLTYHPT-UHFFFAOYSA-N 1 0 382.873 2.304 20 0 GEADRO OCCO[C@@]1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCOC1 ZINC000657598983 652178217 /nfs/dbraw/zinc/17/82/17/652178217.db2.gz XSSZGKGGYYCVGN-QGZVFWFLSA-N 1 0 396.285 2.097 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCCC[NH2+]C(C)C ZINC000577356850 652181364 /nfs/dbraw/zinc/18/13/64/652181364.db2.gz WWOBHJYGACMWRH-UHFFFAOYSA-N 1 0 384.318 2.302 20 0 GEADRO C[C@H]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CS1(=O)=O ZINC000657637356 652183215 /nfs/dbraw/zinc/18/32/15/652183215.db2.gz HKHVLKIBWAMZNN-ZFWWWQNUSA-N 1 0 384.929 2.500 20 0 GEADRO NC(=O)NC(=O)CC[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000577390052 652183922 /nfs/dbraw/zinc/18/39/22/652183922.db2.gz RXESVVUJPGPOAK-UHFFFAOYSA-N 1 0 380.242 2.156 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000657676081 652189508 /nfs/dbraw/zinc/18/95/08/652189508.db2.gz KYJKCTPHIHTAEP-KOLCDFICSA-N 1 0 386.265 2.434 20 0 GEADRO O=C(NCC(F)(F)c1ccc(Br)cc1)[C@H]1C[N@@H+]2CCN1CCC2 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GEADRO COc1nccnc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623645217 652251423 /nfs/dbraw/zinc/25/14/23/652251423.db2.gz SLMUBPOWMNRUBF-QGZVFWFLSA-N 1 0 378.270 2.257 20 0 GEADRO Fc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c(Br)c1 ZINC000623652461 652252124 /nfs/dbraw/zinc/25/21/24/652252124.db2.gz GTJPAJPSAWJOAQ-ZDUSSCGKSA-N 1 0 391.248 2.394 20 0 GEADRO Brc1ccsc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623651792 652252134 /nfs/dbraw/zinc/25/21/34/652252134.db2.gz VLEGGMFXORCBAX-SNVBAGLBSA-N 1 0 379.287 2.317 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000623671349 652252864 /nfs/dbraw/zinc/25/28/64/652252864.db2.gz UCNDBTOBHLXQKR-CYBMUJFWSA-N 1 0 383.290 2.089 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000658333974 652254320 /nfs/dbraw/zinc/25/43/20/652254320.db2.gz XUONORVZSFRJDU-LBPRGKRZSA-N 1 0 389.327 2.320 20 0 GEADRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000578224044 652254251 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CS[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C[C@@H]1[NH+](C)C ZINC000578287428 652259426 /nfs/dbraw/zinc/25/94/26/652259426.db2.gz HWCVZHWZBGMMGL-UWVGGRQHSA-N 1 0 384.855 2.368 20 0 GEADRO CS[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C[C@H]1[NH+](C)C ZINC000578287427 652259513 /nfs/dbraw/zinc/25/95/13/652259513.db2.gz HWCVZHWZBGMMGL-NXEZZACHSA-N 1 0 384.855 2.368 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000658374887 652259609 /nfs/dbraw/zinc/25/96/09/652259609.db2.gz YVMQJMDYDOMSAN-TVQRCGJNSA-N 1 0 379.707 2.475 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000658380014 652260717 /nfs/dbraw/zinc/26/07/17/652260717.db2.gz DQYIEEIIAKWJDJ-ZDUSSCGKSA-N 1 0 393.278 2.017 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658389463 652263317 /nfs/dbraw/zinc/26/33/17/652263317.db2.gz HUFJEDMWOBIURD-UHFFFAOYSA-N 1 0 377.304 2.316 20 0 GEADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000658410852 652267517 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CCCC[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000579821429 652355881 /nfs/dbraw/zinc/35/58/81/652355881.db2.gz UYLPUXXNHUTVNV-GFCCVEGCSA-N 1 0 388.306 2.351 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1F)c1cn(C2CC[NH2+]CC2)nn1 ZINC000659382619 652356007 /nfs/dbraw/zinc/35/60/07/652356007.db2.gz PMLUKEHYHXJYHN-UHFFFAOYSA-N 1 0 386.200 2.496 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)c1cn(C[C@@H]3CCC[NH2+]3)nn1)C2 ZINC000659385572 652356051 /nfs/dbraw/zinc/35/60/51/652356051.db2.gz GDNWBJQSSIKGGX-ZDUSSCGKSA-N 1 0 390.285 2.257 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000579838313 652357256 /nfs/dbraw/zinc/35/72/56/652357256.db2.gz QGMDICVQNOWMNO-CZUORRHYSA-N 1 0 396.329 2.419 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000659443164 652357719 /nfs/dbraw/zinc/35/77/19/652357719.db2.gz PNNVMOWKRNAQBV-VNSJNIRKSA-N 1 0 393.329 2.408 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000659448547 652358256 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C[C@@H](C[NH2+]C[C@@H](O)COC1CCOCC1)Oc1cccc(Br)c1 ZINC000580304503 652375037 /nfs/dbraw/zinc/37/50/37/652375037.db2.gz IYSSKGSDEXYNOC-DZGCQCFKSA-N 1 0 388.302 2.363 20 0 GEADRO Cc1ccc(I)c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000580310238 652375351 /nfs/dbraw/zinc/37/53/51/652375351.db2.gz CBMAJLWRTTVOLV-NSHDSACASA-N 1 0 380.176 2.327 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCc1ccc(Br)c(F)c1F)C(F)(F)F ZINC000625899681 652375522 /nfs/dbraw/zinc/37/55/22/652375522.db2.gz ZTPXLHJDFZYZHD-ZETCQYMHSA-N 1 0 376.123 2.416 20 0 GEADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000580325312 652376080 /nfs/dbraw/zinc/37/60/80/652376080.db2.gz VJGXJOUTPJHIKX-ONGXEEELSA-N 1 0 398.248 2.415 20 0 GEADRO CC(=O)NCC(=O)N1CCC[N@H+](CCCSc2ccccc2Cl)CC1 ZINC000625961258 652377202 /nfs/dbraw/zinc/37/72/02/652377202.db2.gz WPYJDIQWTJZGMD-UHFFFAOYSA-N 1 0 383.945 2.493 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCC(NS(N)(=O)=O)CC1 ZINC000626034447 652380007 /nfs/dbraw/zinc/38/00/07/652380007.db2.gz 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Cc1c(Br)cccc1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000580785468 652392236 /nfs/dbraw/zinc/39/22/36/652392236.db2.gz XQXYGXLBFDJQJG-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NCCC[NH2+]C(C)C)CC2 ZINC000580824007 652393936 /nfs/dbraw/zinc/39/39/36/652393936.db2.gz QVWBZZCRKARRNR-UHFFFAOYSA-N 1 0 396.329 2.147 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1sccc1S(N)(=O)=O)c1ccccc1 ZINC000626535705 652394472 /nfs/dbraw/zinc/39/44/72/652394472.db2.gz LVCFKFGHIBZAMW-AWEZNQCLSA-N 1 0 381.523 2.208 20 0 GEADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[NH2+]1 ZINC000660187533 652394489 /nfs/dbraw/zinc/39/44/89/652394489.db2.gz HJEDDBHYNGEYOE-AWEZNQCLSA-N 1 0 390.347 2.134 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000580892301 652395413 /nfs/dbraw/zinc/39/54/13/652395413.db2.gz DAMUNFMDRGGZFS-ZWNOBZJWSA-N 1 0 394.324 2.000 20 0 GEADRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000660239763 652396692 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CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000626863792 652407494 /nfs/dbraw/zinc/40/74/94/652407494.db2.gz OIRNBYBVYPNOOJ-QWHCGFSZSA-N 1 0 391.269 2.193 20 0 GEADRO OCc1cn(CCC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)nn1 ZINC000581242646 652407574 /nfs/dbraw/zinc/40/75/74/652407574.db2.gz NTUUXYGBWJZPPA-UHFFFAOYSA-N 1 0 391.216 2.314 20 0 GEADRO [NH3+]CC1(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCOCC1 ZINC000626882318 652407872 /nfs/dbraw/zinc/40/78/72/652407872.db2.gz KPFUIAKDRDPVHK-UHFFFAOYSA-N 1 0 380.659 2.209 20 0 GEADRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000581246713 652407969 /nfs/dbraw/zinc/40/79/69/652407969.db2.gz CREVVMDCWDNQQV-OAHLLOKOSA-N 1 0 385.689 2.457 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C[NH2+]1 ZINC000626891766 652408008 /nfs/dbraw/zinc/40/80/08/652408008.db2.gz BSIKLEQIYHLQTP-MNOVXSKESA-N 1 0 391.269 2.193 20 0 GEADRO COCC1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCOCC1 ZINC000660629514 652408068 /nfs/dbraw/zinc/40/80/68/652408068.db2.gz JKBDVKQHWGXILM-UHFFFAOYSA-N 1 0 392.315 2.008 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C[NH2+]1 ZINC000626891916 652408107 /nfs/dbraw/zinc/40/81/07/652408107.db2.gz CUJUYNDVMBOLNI-JGVFFNPUSA-N 1 0 392.656 2.437 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C[NH2+]1 ZINC000626893571 652408411 /nfs/dbraw/zinc/40/84/11/652408411.db2.gz OWQBVFCOGUWTRI-RKDXNWHRSA-N 1 0 379.766 2.434 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C[NH2+]1 ZINC000626894176 652408675 /nfs/dbraw/zinc/40/86/75/652408675.db2.gz WJJRELBSBYDLTP-MWLCHTKSSA-N 1 0 375.803 2.179 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000581294098 652409144 /nfs/dbraw/zinc/40/91/44/652409144.db2.gz RGTKLWWBVYEARX-OAHLLOKOSA-N 1 0 384.933 2.405 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)NCC1(S(C)(=O)=O)CCCCC1)C(C)(C)C ZINC000660674606 652409310 /nfs/dbraw/zinc/40/93/10/652409310.db2.gz AUXXXUINJVMWNK-HNNXBMFYSA-N 1 0 375.579 2.400 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)[C@@H]2C1 ZINC000581306786 652409778 /nfs/dbraw/zinc/40/97/78/652409778.db2.gz DFMOKSBGBRAAOI-XHDPSFHLSA-N 1 0 386.905 2.269 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000626910567 652409747 /nfs/dbraw/zinc/40/97/47/652409747.db2.gz WFRBBMHFLNASPN-WDEREUQCSA-N 1 0 375.416 2.455 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)N(C)C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000660691395 652410141 /nfs/dbraw/zinc/41/01/41/652410141.db2.gz HLKBJKUVXBVHSO-SUMWQHHRSA-N 1 0 389.334 2.124 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C[NH2+]1 ZINC000626985284 652410557 /nfs/dbraw/zinc/41/05/57/652410557.db2.gz SAJJWVXWJRROPW-GXFFZTMASA-N 1 0 393.289 2.174 20 0 GEADRO C[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)Oc1ccccc1Br ZINC000626993288 652410900 /nfs/dbraw/zinc/41/09/00/652410900.db2.gz DRWCCTCUPMHNDG-LBPRGKRZSA-N 1 0 386.290 2.024 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2ncccc2Cl)CC[C@H]1C(F)(F)F ZINC000626999795 652410943 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CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000627045310 652413252 /nfs/dbraw/zinc/41/32/52/652413252.db2.gz MCZTVHOWTJGNHA-INIZCTEOSA-N 1 0 387.933 2.143 20 0 GEADRO CN1CCN(C(=O)NCC/C=C/c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000627122889 652414322 /nfs/dbraw/zinc/41/43/22/652414322.db2.gz LWDHSBSCKBFLON-ICTCPBKTSA-N 1 0 381.318 2.137 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000627157185 652416217 /nfs/dbraw/zinc/41/62/17/652416217.db2.gz PSCSHTIZMZKRDH-BPNCWPANSA-N 1 0 383.290 2.122 20 0 GEADRO C[C@H](CN(C)C(=O)NC[C@H]1COCC[NH2+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000627188921 652417794 /nfs/dbraw/zinc/41/77/94/652417794.db2.gz ZSVYJCIOHIIMCO-NEPJUHHUSA-N 1 0 376.284 2.391 20 0 GEADRO C[C@H](C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)S(C)(=O)=O ZINC000581602517 652418127 /nfs/dbraw/zinc/41/81/27/652418127.db2.gz CNGZWXSMKHFREO-OLZOCXBDSA-N 1 0 375.332 2.298 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)C[NH2+]1 ZINC000627201791 652418437 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GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000581666275 652420808 /nfs/dbraw/zinc/42/08/08/652420808.db2.gz ORVNUEMHTDABBC-MWLCHTKSSA-N 1 0 389.315 2.031 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3cc4cc(Br)ccc4[nH]3)C[C@H]2[NH3+])cn1 ZINC000581673976 652421286 /nfs/dbraw/zinc/42/12/86/652421286.db2.gz YGWDJHITNMLUKA-UONOGXRCSA-N 1 0 388.269 2.231 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627262888 652421395 /nfs/dbraw/zinc/42/13/95/652421395.db2.gz VSSRWXBMHKQJBN-CVEARBPZSA-N 1 0 397.313 2.058 20 0 GEADRO O=C(CCc1cc(Br)ccc1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627261007 652421596 /nfs/dbraw/zinc/42/15/96/652421596.db2.gz RZGMECZJEARQRU-CABCVRRESA-N 1 0 385.277 2.188 20 0 GEADRO O=C(Cc1ccc(Br)c(Cl)c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627264379 652421902 /nfs/dbraw/zinc/42/19/02/652421902.db2.gz SSHNFQKIPXMCAH-CHWSQXEVSA-N 1 0 387.705 2.313 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627262891 652421911 /nfs/dbraw/zinc/42/19/11/652421911.db2.gz VSSRWXBMHKQJBN-JKSUJKDBSA-N 1 0 397.313 2.058 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627314618 652422236 /nfs/dbraw/zinc/42/22/36/652422236.db2.gz IHJNQEKFYUMPCF-OAHLLOKOSA-N 1 0 384.307 2.443 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000627335651 652423406 /nfs/dbraw/zinc/42/34/06/652423406.db2.gz BZTFQRJRLPJGNE-LSDHHAIUSA-N 1 0 396.329 2.100 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627341080 652423893 /nfs/dbraw/zinc/42/38/93/652423893.db2.gz YXUZAGRUDKNKBC-QMMMGPOBSA-N 1 0 392.656 2.391 20 0 GEADRO COC[C@@]1(CNC(=O)c2cc(C)ccc2I)CCC[NH2+]1 ZINC000581806451 652425826 /nfs/dbraw/zinc/42/58/26/652425826.db2.gz LUDPRSBXNHDMBR-HNNXBMFYSA-N 1 0 388.249 2.098 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C2 ZINC000627396114 652426443 /nfs/dbraw/zinc/42/64/43/652426443.db2.gz DVGAXGUOMLYFNJ-HDICACEKSA-N 1 0 384.307 2.110 20 0 GEADRO 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395.301 2.267 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)NCC1CC[NH2+]CC1 ZINC000582290738 652443753 /nfs/dbraw/zinc/44/37/53/652443753.db2.gz ANQPJOXGPMINBM-UHFFFAOYSA-N 1 0 385.306 2.300 20 0 GEADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)C1CCC(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000662001185 652444502 /nfs/dbraw/zinc/44/45/02/652444502.db2.gz SPZWXIKINVIRQE-UCMFOZJVSA-N 1 0 376.538 2.307 20 0 GEADRO O=C(CCNC[C@H](O)C[NH+]1CCCCC1)Nc1cccc(Br)c1 ZINC000582301535 652444559 /nfs/dbraw/zinc/44/45/59/652444559.db2.gz JZWWBEWMAMBJOW-INIZCTEOSA-N 1 0 384.318 2.214 20 0 GEADRO C[N@@H+]1CCC[C@H](CN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308976 652444870 /nfs/dbraw/zinc/44/48/70/652444870.db2.gz FOOXVAGQIBJDCK-DOMZBBRYSA-N 1 0 380.286 2.012 20 0 GEADRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000662017617 652445445 /nfs/dbraw/zinc/44/54/45/652445445.db2.gz TYHKCRFNTTZKTA-KBPBESRZSA-N 1 0 390.311 2.421 20 0 GEADRO C[N@H+](CCCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)s1)C1CC1 ZINC000662087389 652447368 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CC[C@H]([NH3+])CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000582664821 652458198 /nfs/dbraw/zinc/45/81/98/652458198.db2.gz MMQUIQLCQBGXHE-LBPRGKRZSA-N 1 0 378.274 2.374 20 0 GEADRO CN[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000662383632 652458227 /nfs/dbraw/zinc/45/82/27/652458227.db2.gz NHXXTMIJAMCNOR-KRWDZBQOSA-N 1 0 387.355 2.398 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(Br)c(F)c1F ZINC000628338643 652458717 /nfs/dbraw/zinc/45/87/17/652458717.db2.gz RFNXOSPSSNHISD-UHFFFAOYSA-N 1 0 378.261 2.179 20 0 GEADRO O=C(NCc1nc2cc(Cl)ccc2s1)c1cnnn1C1CC[NH2+]CC1 ZINC000662412793 652459859 /nfs/dbraw/zinc/45/98/59/652459859.db2.gz JWLDNWWPRKUOEV-UHFFFAOYSA-N 1 0 376.873 2.396 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662421257 652460298 /nfs/dbraw/zinc/46/02/98/652460298.db2.gz WLMQAGBYXILZPB-LLVKDONJSA-N 1 0 379.258 2.058 20 0 GEADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCC(OCCC[NH3+])CC2)n1 ZINC000662427569 652460538 /nfs/dbraw/zinc/46/05/38/652460538.db2.gz 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CCC[C@H]1CN(c2nnc3ccc(Br)cn32)CC[N@@H+]1CCOC ZINC000663759377 652511387 /nfs/dbraw/zinc/51/13/87/652511387.db2.gz RLEBJYSYJXDORW-AWEZNQCLSA-N 1 0 382.306 2.429 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000663831177 652512553 /nfs/dbraw/zinc/51/25/53/652512553.db2.gz PRFVTZDTUCTFLH-UHFFFAOYSA-N 1 0 389.327 2.197 20 0 GEADRO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000584190325 652512871 /nfs/dbraw/zinc/51/28/71/652512871.db2.gz VHZXLLMGDYXFKN-MRXNPFEDSA-N 1 0 399.329 2.379 20 0 GEADRO COc1c[nH+]ccc1N1CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000663867432 652513928 /nfs/dbraw/zinc/51/39/28/652513928.db2.gz RLCOSTRRFVCRIM-UHFFFAOYSA-N 1 0 389.257 2.222 20 0 GEADRO CN(C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1)S(C)(=O)=O ZINC000584343890 652517308 /nfs/dbraw/zinc/51/73/08/652517308.db2.gz RIJLYCVXHKCBDL-CQSZACIVSA-N 1 0 380.539 2.309 20 0 GEADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000584340569 652517452 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C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000664199850 652522930 /nfs/dbraw/zinc/52/29/30/652522930.db2.gz WKPXLQQPBYIPKK-NSHDSACASA-N 1 0 381.468 2.233 20 0 GEADRO CC[NH2+]CCCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000584589735 652524516 /nfs/dbraw/zinc/52/45/16/652524516.db2.gz NDNIHWCUMGQJBY-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000584781922 652529420 /nfs/dbraw/zinc/52/94/20/652529420.db2.gz QNBNIFMMEYQWRV-LBPRGKRZSA-N 1 0 383.286 2.350 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000584793703 652530024 /nfs/dbraw/zinc/53/00/24/652530024.db2.gz UUNIOZARBXPGJH-SNVBAGLBSA-N 1 0 395.294 2.217 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000584809344 652530353 /nfs/dbraw/zinc/53/03/53/652530353.db2.gz GLHZAKDJSGDDKY-TZMCWYRMSA-N 1 0 378.274 2.034 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc2cncc(Br)c2n1 ZINC000631707290 652531992 /nfs/dbraw/zinc/53/19/92/652531992.db2.gz 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20 0 GEADRO CN(C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)C1C[NH2+]C1 ZINC000667517596 652610021 /nfs/dbraw/zinc/61/00/21/652610021.db2.gz WFGQIZGNWXSOLO-UHFFFAOYSA-N 1 0 381.274 2.121 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[NH2+]1 ZINC000667520430 652610359 /nfs/dbraw/zinc/61/03/59/652610359.db2.gz FTYIYDPTRBPILM-CYBMUJFWSA-N 1 0 390.228 2.122 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(Cl)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000760470195 652610614 /nfs/dbraw/zinc/61/06/14/652610614.db2.gz IHGWIYXXQCVMCS-CYBMUJFWSA-N 1 0 378.947 2.373 20 0 GEADRO C[NH+]1CCC(CNC(=S)NCc2cccnc2OCC(F)(F)F)CC1 ZINC000760474394 652610993 /nfs/dbraw/zinc/61/09/93/652610993.db2.gz KJPIXVPIAUADGW-UHFFFAOYSA-N 1 0 376.448 2.329 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667537165 652611151 /nfs/dbraw/zinc/61/11/51/652611151.db2.gz RYAPOKIXHMDCFM-RNCFNFMXSA-N 1 0 386.677 2.251 20 0 GEADRO C[NH+]1CCC(CNC(=S)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000760491099 652611378 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C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000667584424 652614414 /nfs/dbraw/zinc/61/44/14/652614414.db2.gz GFBQRLVPFXFNRJ-UWVGGRQHSA-N 1 0 381.757 2.456 20 0 GEADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@H](CO)c1ccc(Br)cc1 ZINC000667802000 652619941 /nfs/dbraw/zinc/61/99/41/652619941.db2.gz GFORWZMPROFPHI-MRXNPFEDSA-N 1 0 391.269 2.345 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000633978490 652623797 /nfs/dbraw/zinc/62/37/97/652623797.db2.gz HMFYLMRCCXLGHF-CQSZACIVSA-N 1 0 377.286 2.321 20 0 GEADRO COC(=O)C(C)(C)CS(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000593617034 652628241 /nfs/dbraw/zinc/62/82/41/652628241.db2.gz KAPSDWSYZDGBJC-CQSZACIVSA-N 1 0 390.933 2.104 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761082559 652631700 /nfs/dbraw/zinc/63/17/00/652631700.db2.gz QLBAYLMYAOZFFV-NWDGAFQWSA-N 1 0 387.265 2.254 20 0 GEADRO NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000593717768 652633347 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CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)C(C)C ZINC000594045833 652638128 /nfs/dbraw/zinc/63/81/28/652638128.db2.gz LAPNIVBHVMAIJL-HNNXBMFYSA-N 1 0 376.906 2.443 20 0 GEADRO COCC[N@@H+]1CC[C@H](N2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)C1 ZINC000761253499 652638759 /nfs/dbraw/zinc/63/87/59/652638759.db2.gz JFXFKMZSKXCHEL-LSDHHAIUSA-N 1 0 396.285 2.105 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC000668329245 652639022 /nfs/dbraw/zinc/63/90/22/652639022.db2.gz QCVFJGLEJUAFKB-UHFFFAOYSA-N 1 0 382.302 2.058 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000668459498 652643133 /nfs/dbraw/zinc/64/31/33/652643133.db2.gz ICBPYELNNMPUNG-HNNXBMFYSA-N 1 0 396.329 2.097 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)CC1(O)CCOCC1 ZINC000634643741 652646007 /nfs/dbraw/zinc/64/60/07/652646007.db2.gz HRTOCLDPVPULCH-UKRRQHHQSA-N 1 0 386.286 2.155 20 0 GEADRO Brc1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc2c1OCCO2 ZINC000668537834 652646959 /nfs/dbraw/zinc/64/69/59/652646959.db2.gz QMLLVDXALHLTOH-CQSZACIVSA-N 1 0 383.286 2.127 20 0 GEADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CC1 ZINC000594435795 652648931 /nfs/dbraw/zinc/64/89/31/652648931.db2.gz DRWGUVNPAOYKFR-UHFFFAOYSA-N 1 0 392.880 2.371 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000761504552 652649708 /nfs/dbraw/zinc/64/97/08/652649708.db2.gz NDSUHVPBNZGVEC-UHFFFAOYSA-N 1 0 391.990 2.295 20 0 GEADRO Cc1c2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)[nH]c2ccc1Br ZINC000668582142 652649791 /nfs/dbraw/zinc/64/97/91/652649791.db2.gz SFHRCXYIVIIHNL-GFCCVEGCSA-N 1 0 379.302 2.214 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594444380 652650504 /nfs/dbraw/zinc/65/05/04/652650504.db2.gz QFNBUSYZEOWXDI-LLVKDONJSA-N 1 0 378.853 2.028 20 0 GEADRO COC(=O)c1cc(NC(=S)NCC[NH+](C)C)cc(Br)c1F ZINC000761554399 652651752 /nfs/dbraw/zinc/65/17/52/652651752.db2.gz WWAOJXVFVBSVBX-UHFFFAOYSA-N 1 0 378.267 2.223 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000668630212 652654196 /nfs/dbraw/zinc/65/41/96/652654196.db2.gz WOQNYZDIYGBWAU-WFASDCNBSA-N 1 0 395.301 2.089 20 0 GEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000668640271 652655501 /nfs/dbraw/zinc/65/55/01/652655501.db2.gz QRIQGZZGRHRMEI-HNNXBMFYSA-N 1 0 398.320 2.415 20 0 GEADRO C[C@@H](C[NH2+]C[C@H](O)CC1(O)CCOCC1)Oc1ccc(Br)cc1 ZINC000634705627 652655956 /nfs/dbraw/zinc/65/59/56/652655956.db2.gz DEBNXENJQWLKGV-DZGCQCFKSA-N 1 0 388.302 2.099 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634706913 652656066 /nfs/dbraw/zinc/65/60/66/652656066.db2.gz WVQDCFWTGFNVSE-CYBMUJFWSA-N 1 0 382.309 2.148 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc2cc(Br)ccc2[nH]1)CC1(O)CCOCC1 ZINC000634710546 652656583 /nfs/dbraw/zinc/65/65/83/652656583.db2.gz AFKUYHMRUKVWGO-OAHLLOKOSA-N 1 0 383.286 2.313 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1)CC1(O)CCOCC1 ZINC000634712312 652657165 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CS[C@@H]1CN(C(=O)c2cc3c(cc2Br)OCO3)C[C@@H]1[NH+](C)C ZINC000598692940 652829099 /nfs/dbraw/zinc/82/90/99/652829099.db2.gz BCOPROJKYFBRBT-SMDDNHRTSA-N 1 0 387.299 2.295 20 0 GEADRO CC(C)(C)Oc1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ncc1Br ZINC000672207531 652830400 /nfs/dbraw/zinc/83/04/00/652830400.db2.gz RFYGALKBQDPAPW-UONOGXRCSA-N 1 0 399.333 2.452 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1cc(Br)ccc1C ZINC000672203836 652830434 /nfs/dbraw/zinc/83/04/34/652830434.db2.gz RDYOPSALRMJRSL-INIZCTEOSA-N 1 0 396.329 2.364 20 0 GEADRO COC(=O)N1CCC([NH2+]C[C@@H](O)COc2ccccc2Br)CC1 ZINC000765258857 652834301 /nfs/dbraw/zinc/83/43/01/652834301.db2.gz BXWWQSSVMKAIBK-CYBMUJFWSA-N 1 0 387.274 2.009 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000672428503 652838537 /nfs/dbraw/zinc/83/85/37/652838537.db2.gz QXMITUBYHNDPHI-MRXNPFEDSA-N 1 0 382.913 2.456 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(F)c(I)c1 ZINC000599081642 652847632 /nfs/dbraw/zinc/84/76/32/652847632.db2.gz SYDFQHPBRDCTSR-ZYHUDNBSSA-N 1 0 378.229 2.412 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)NCC[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000637246344 652848160 /nfs/dbraw/zinc/84/81/60/652848160.db2.gz BPRPJAIWOAHIJK-NVXWUHKLSA-N 1 0 390.311 2.437 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599108853 652850537 /nfs/dbraw/zinc/85/05/37/652850537.db2.gz YBGKHXYKVDMMLL-ZDUSSCGKSA-N 1 0 380.491 2.251 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)/C=C\c2cccs2)c1 ZINC000765730465 652850639 /nfs/dbraw/zinc/85/06/39/652850639.db2.gz NCYIPFVKTOYGKE-HJWRWDBZSA-N 1 0 379.507 2.240 20 0 GEADRO O=C(NCC[NH2+]C1CC1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000637340354 652852126 /nfs/dbraw/zinc/85/21/26/652852126.db2.gz PBJZNYDGNBBDAX-UHFFFAOYSA-N 1 0 385.295 2.213 20 0 GEADRO C[C@H](NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000672961502 652852531 /nfs/dbraw/zinc/85/25/31/652852531.db2.gz CWDWVOGJMLRHJF-KNXALSJPSA-N 1 0 390.311 2.435 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)CCSC1 ZINC000765854754 652855890 /nfs/dbraw/zinc/85/58/90/652855890.db2.gz XGODJSOGPSYBGX-MEDUHNTESA-N 1 0 381.489 2.088 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000637406794 652856576 /nfs/dbraw/zinc/85/65/76/652856576.db2.gz GEWFQHUMQSPSDF-SWLSCSKDSA-N 1 0 397.317 2.478 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000637407097 652857159 /nfs/dbraw/zinc/85/71/59/652857159.db2.gz RCWBZOWDGLFMML-BXUZGUMPSA-N 1 0 385.306 2.334 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000637407032 652857242 /nfs/dbraw/zinc/85/72/42/652857242.db2.gz PTBVVJRQCZNKSY-DOMZBBRYSA-N 1 0 397.317 2.478 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCc1cncnc1N)c1ccc(Cl)c(Cl)c1 ZINC000637471626 652861966 /nfs/dbraw/zinc/86/19/66/652861966.db2.gz AKYHLRZEWWTYHQ-AWEZNQCLSA-N 1 0 383.283 2.468 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)N1CCn2cnnc2C1)c1ccc(Cl)c(Cl)c1 ZINC000637472686 652862239 /nfs/dbraw/zinc/86/22/39/652862239.db2.gz HDOPPKFPBGLDBT-CQSZACIVSA-N 1 0 383.283 2.413 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1COCC[C@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000637473386 652862342 /nfs/dbraw/zinc/86/23/42/652862342.db2.gz PKDJVDJVAURDCS-RRFJBIMHSA-N 1 0 376.284 2.045 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCOc2ccccc2Br)C1 ZINC000673428708 652863289 /nfs/dbraw/zinc/86/32/89/652863289.db2.gz AANSJBVMOOSPDL-KRWDZBQOSA-N 1 0 385.302 2.133 20 0 GEADRO COC(=O)CCc1nnc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)s1 ZINC000609932211 652863887 /nfs/dbraw/zinc/86/38/87/652863887.db2.gz FJIMNDYYNYXVNL-NSHDSACASA-N 1 0 383.499 2.130 20 0 GEADRO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000673483686 652865432 /nfs/dbraw/zinc/86/54/32/652865432.db2.gz XDACOCKHCHEEJV-GDBMZVCRSA-N 1 0 383.945 2.413 20 0 GEADRO Cc1cc2cc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)oc2c(Br)c1 ZINC000673543307 652868334 /nfs/dbraw/zinc/86/83/34/652868334.db2.gz MIPDEMPGGVPLTE-NSHDSACASA-N 1 0 396.285 2.300 20 0 GEADRO COC(=O)C[C@@](C)([NH2+]CCc1cn(C)nn1)c1ccc(Br)cc1 ZINC000599417093 652869607 /nfs/dbraw/zinc/86/96/07/652869607.db2.gz JXSNGILVJOSMQH-MRXNPFEDSA-N 1 0 381.274 2.188 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1F ZINC000599416690 652869753 /nfs/dbraw/zinc/86/97/53/652869753.db2.gz WPXXKHGQADRPRR-NSHDSACASA-N 1 0 392.880 2.276 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000766186592 652870890 /nfs/dbraw/zinc/87/08/90/652870890.db2.gz YEJKYIAOUOSFLN-NHYWBVRUSA-N 1 0 381.274 2.223 20 0 GEADRO C[NH+](C)CCOc1cnccc1CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000673580167 652871852 /nfs/dbraw/zinc/87/18/52/652871852.db2.gz MNCBASBLGNCSAG-UHFFFAOYSA-N 1 0 383.901 2.295 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000599463033 652873788 /nfs/dbraw/zinc/87/37/88/652873788.db2.gz ANVLSWQNQMNUQK-CYBMUJFWSA-N 1 0 386.901 2.422 20 0 GEADRO O=C(c1csc(C(F)(F)F)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637812660 652874278 /nfs/dbraw/zinc/87/42/78/652874278.db2.gz BGQWOISHDMBPMY-NSHDSACASA-N 1 0 375.416 2.051 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000637822173 652874852 /nfs/dbraw/zinc/87/48/52/652874852.db2.gz GYEMVMQGLBUFJM-HZPDHXFCSA-N 1 0 394.313 2.151 20 0 GEADRO Cc1cc(I)ccc1NC(=O)NCCOCCC[NH3+] ZINC000599594691 652878432 /nfs/dbraw/zinc/87/84/32/652878432.db2.gz HYDLKTJZBJCOFH-UHFFFAOYSA-N 1 0 377.226 2.087 20 0 GEADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000637958678 652879210 /nfs/dbraw/zinc/87/92/10/652879210.db2.gz ASWSEOOGCGIEMO-YQQAZPJKSA-N 1 0 383.286 2.116 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(I)cc1F ZINC000599607022 652879918 /nfs/dbraw/zinc/87/99/18/652879918.db2.gz IRZSPJXHAGPBPA-UHFFFAOYSA-N 1 0 395.216 2.130 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)Nc1cccc(F)c1I ZINC000599610269 652880466 /nfs/dbraw/zinc/88/04/66/652880466.db2.gz FNBPGMQWDUJFLE-UHFFFAOYSA-N 1 0 395.216 2.130 20 0 GEADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2nccn2Cc2ccc(Br)cc2)C1 ZINC000638040284 652881969 /nfs/dbraw/zinc/88/19/69/652881969.db2.gz AOMXKLHPCVILHX-RHSMWYFYSA-N 1 0 393.285 2.399 20 0 GEADRO [NH3+]C[C@]1(C(=O)Nc2nccn2Cc2ccc(Br)cc2)CCCOC1 ZINC000638043547 652882458 /nfs/dbraw/zinc/88/24/58/652882458.db2.gz YOPPKQDWOXOFMF-QGZVFWFLSA-N 1 0 393.285 2.388 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000638259383 652884727 /nfs/dbraw/zinc/88/47/27/652884727.db2.gz GFHKICXKIIPBRK-CJNGLKHVSA-N 1 0 393.285 2.294 20 0 GEADRO C[C@H]([NH2+]CCC(F)(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766528559 652885056 /nfs/dbraw/zinc/88/50/56/652885056.db2.gz MYPKXHFQHUEPDA-JTQLQIEISA-N 1 0 388.433 2.015 20 0 GEADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cnn3cc(Br)cnc23)C[C@H](C)O1 ZINC000638319968 652885755 /nfs/dbraw/zinc/88/57/55/652885755.db2.gz VDPMUORFPDEPEB-BETUJISGSA-N 1 0 396.333 2.469 20 0 GEADRO C[C@@]1(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)C[NH2+]CCO1 ZINC000638303294 652885778 /nfs/dbraw/zinc/88/57/78/652885778.db2.gz XZZDFZDYWQFAQK-KRWDZBQOSA-N 1 0 383.286 2.197 20 0 GEADRO O[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)COc1ccccc1 ZINC000638339507 652886368 /nfs/dbraw/zinc/88/63/68/652886368.db2.gz CAEDNEXRHQFSDS-AWEZNQCLSA-N 1 0 377.242 2.021 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638381080 652887726 /nfs/dbraw/zinc/88/77/26/652887726.db2.gz IUVINKVKQBGIKF-HNNXBMFYSA-N 1 0 380.286 2.460 20 0 GEADRO O=C(COc1ccc(Br)cn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000638401859 652888578 /nfs/dbraw/zinc/88/85/78/652888578.db2.gz HYJHYMNBGFNQQQ-AWEZNQCLSA-N 1 0 382.302 2.461 20 0 GEADRO Cc1cc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)sn1 ZINC000638439725 652889637 /nfs/dbraw/zinc/88/96/37/652889637.db2.gz WIIDPGFFJBQGFM-HNNXBMFYSA-N 1 0 381.523 2.199 20 0 GEADRO [NH3+]C[C@@]1(C(=O)NCC(F)(F)c2ccc(Br)cc2)CCCOC1 ZINC000638440899 652889797 /nfs/dbraw/zinc/88/97/97/652889797.db2.gz WMGGCXDNNOHAFQ-AWEZNQCLSA-N 1 0 377.229 2.413 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638456287 652890481 /nfs/dbraw/zinc/89/04/81/652890481.db2.gz BUKPPTQXSDOZQZ-UHFFFAOYSA-N 1 0 376.276 2.009 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C23CCC3)nnn1-c1cccc(Br)c1 ZINC000638503682 652891820 /nfs/dbraw/zinc/89/18/20/652891820.db2.gz KXGKSKTZSZYJFO-CQSZACIVSA-N 1 0 390.285 2.353 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638503621 652891993 /nfs/dbraw/zinc/89/19/93/652891993.db2.gz JVTNMWOWXGGSMJ-GJZGRUSLSA-N 1 0 392.297 2.203 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638503619 652892010 /nfs/dbraw/zinc/89/20/10/652892010.db2.gz JVTNMWOWXGGSMJ-CABCVRRESA-N 1 0 392.297 2.203 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000599925243 652892888 /nfs/dbraw/zinc/89/28/88/652892888.db2.gz UGPUCSJQOPPBDH-KOLCDFICSA-N 1 0 379.404 2.203 20 0 GEADRO CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638552827 652894011 /nfs/dbraw/zinc/89/40/11/652894011.db2.gz SPHSKXKJPLIQFZ-DGCLKSJQSA-N 1 0 378.416 2.080 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Br ZINC000638556568 652894309 /nfs/dbraw/zinc/89/43/09/652894309.db2.gz LISSWBSAAPQZBC-WCBMZHEXSA-N 1 0 396.207 2.457 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Br ZINC000638556563 652894440 /nfs/dbraw/zinc/89/44/40/652894440.db2.gz LISSWBSAAPQZBC-PSASIEDQSA-N 1 0 396.207 2.457 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000638573051 652895845 /nfs/dbraw/zinc/89/58/45/652895845.db2.gz NQWKGVOWBSDNKQ-VHSXEESVSA-N 1 0 377.080 2.477 20 0 GEADRO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000638596358 652897155 /nfs/dbraw/zinc/89/71/55/652897155.db2.gz KBXSYUPYWUCAHE-GUDVDZBRSA-N 1 0 395.389 2.420 20 0 GEADRO CO[C@@H](C[NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@H]1CCOC1 ZINC000638596754 652897574 /nfs/dbraw/zinc/89/75/74/652897574.db2.gz PFLBKVLFHBLSAJ-RDJZCZTQSA-N 1 0 399.329 2.439 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000638596485 652897699 /nfs/dbraw/zinc/89/76/99/652897699.db2.gz PQOADMVSKIONCV-SWLSCSKDSA-N 1 0 380.286 2.060 20 0 GEADRO COc1cccc(N2CCC[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)s3)C2)c1 ZINC000638611598 652898725 /nfs/dbraw/zinc/89/87/25/652898725.db2.gz IQSVQALDUSLGAB-ZDUSSCGKSA-N 1 0 381.523 2.163 20 0 GEADRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638619668 652899153 /nfs/dbraw/zinc/89/91/53/652899153.db2.gz VTFJWROXVHJLAN-CYBMUJFWSA-N 1 0 381.885 2.402 20 0 GEADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC1(C[NH3+])CCOCC1 ZINC000638634779 652899703 /nfs/dbraw/zinc/89/97/03/652899703.db2.gz OOEYWAQHEAOGHO-OAHLLOKOSA-N 1 0 399.329 2.268 20 0 GEADRO [NH3+]CC1(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)CCOCC1 ZINC000638634738 652899878 /nfs/dbraw/zinc/89/98/78/652899878.db2.gz KHNRRBHFTPGKAL-UHFFFAOYSA-N 1 0 379.258 2.077 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)c2ncc(Br)cc2Br)C[NH2+]1 ZINC000638640997 652900394 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NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000638909125 652912618 /nfs/dbraw/zinc/91/26/18/652912618.db2.gz QRUPJRPYRJKZJJ-CYBMUJFWSA-N 1 0 383.876 2.495 20 0 GEADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638920392 652913321 /nfs/dbraw/zinc/91/33/21/652913321.db2.gz ZYLQFGQSBIBHOQ-BETUJISGSA-N 1 0 381.270 2.383 20 0 GEADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000638942539 652914390 /nfs/dbraw/zinc/91/43/90/652914390.db2.gz JKWGXMBIYXSPLZ-VFZGZKFCSA-N 1 0 389.293 2.018 20 0 GEADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000675102187 652916777 /nfs/dbraw/zinc/91/67/77/652916777.db2.gz QMVJVNAFAJJMHG-OAHLLOKOSA-N 1 0 380.901 2.475 20 0 GEADRO Cc1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1Br ZINC000639036370 652917142 /nfs/dbraw/zinc/91/71/42/652917142.db2.gz QMLYJQPPSSNOCW-CYBMUJFWSA-N 1 0 378.274 2.204 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCCNC(=O)C3)C2=O)ccc1Br ZINC000639051577 652917680 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O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cnn3cc(Br)cnc23)c[nH]1 ZINC000639351244 652933584 /nfs/dbraw/zinc/93/35/84/652933584.db2.gz FBIKXTFBFWQEPI-HIFRSBDPSA-N 1 0 390.241 2.212 20 0 GEADRO C[NH2+]C1(CNC(=O)c2cc(F)c(F)cc2I)CCC1 ZINC000600824109 652934916 /nfs/dbraw/zinc/93/49/16/652934916.db2.gz KJMPSSVQUFLYGG-UHFFFAOYSA-N 1 0 380.176 2.441 20 0 GEADRO C[NH2+]C1(CNC(=O)c2cc(I)c(F)cc2F)CCC1 ZINC000600826310 652935003 /nfs/dbraw/zinc/93/50/03/652935003.db2.gz ZYEMRDOTYLJTAB-UHFFFAOYSA-N 1 0 380.176 2.441 20 0 GEADRO OCCC1(CCO)CC[NH+](Cc2cn3ccc(Br)cc3n2)CC1 ZINC000639377500 652935269 /nfs/dbraw/zinc/93/52/69/652935269.db2.gz ANRPHBBYZKRTQO-UHFFFAOYSA-N 1 0 382.302 2.444 20 0 GEADRO C[NH2+]C1(CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)CCC1 ZINC000600825458 652935168 /nfs/dbraw/zinc/93/51/68/652935168.db2.gz UWRIJOALQKYKKX-HNNXBMFYSA-N 1 0 383.945 2.450 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000675757495 652939990 /nfs/dbraw/zinc/93/99/90/652939990.db2.gz KRUHZWRBEBMJCA-ABAIWWIYSA-N 1 0 378.416 2.487 20 0 GEADRO Cc1nc(CC[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cs1 ZINC000767734055 652946878 /nfs/dbraw/zinc/94/68/78/652946878.db2.gz ITWGGGHFKFUIQZ-UHFFFAOYSA-N 1 0 380.539 2.188 20 0 GEADRO Nc1nnc(C2CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000639725208 652950039 /nfs/dbraw/zinc/95/00/39/652950039.db2.gz JFDVRQGPJBVIFA-NSHDSACASA-N 1 0 387.267 2.578 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000639761567 652952223 /nfs/dbraw/zinc/95/22/23/652952223.db2.gz NKCYKUAADNJSQE-KRWDZBQOSA-N 1 0 384.318 2.166 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000639766495 652952715 /nfs/dbraw/zinc/95/27/15/652952715.db2.gz PZZMYSVVUJKEBH-YOEHRIQHSA-N 1 0 377.312 2.122 20 0 GEADRO Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)no1 ZINC000639771366 652953401 /nfs/dbraw/zinc/95/34/01/652953401.db2.gz BWCSUVANMWOTPO-CYBMUJFWSA-N 1 0 395.257 2.622 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)cnc1Cl ZINC000767832322 652954534 /nfs/dbraw/zinc/95/45/34/652954534.db2.gz ZJEILDLRYBEHGM-UHFFFAOYSA-N 1 0 375.922 2.486 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000639810700 652956391 /nfs/dbraw/zinc/95/63/91/652956391.db2.gz JYSASAMBTOSQGU-UHFFFAOYSA-N 1 0 385.306 2.486 20 0 GEADRO Cc1csc(CC2(O)CC[NH+](C[C@@H](O)COCc3cccs3)CC2)n1 ZINC000639807873 652956565 /nfs/dbraw/zinc/95/65/65/652956565.db2.gz MQTSAFAZIQWLMG-OAHLLOKOSA-N 1 0 382.551 2.460 20 0 GEADRO Nc1nnc([C@H]2CCC[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000639823323 652957593 /nfs/dbraw/zinc/95/75/93/652957593.db2.gz BAGOGQTYTVEORN-JQWIXIFHSA-N 1 0 387.267 2.578 20 0 GEADRO COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639855318 653086519 /nfs/dbraw/zinc/08/65/19/653086519.db2.gz BLNNHXZVYWEAPD-MRXNPFEDSA-N 1 0 395.301 2.383 20 0 GEADRO OC[C@@]1([NH2+]C[C@H]2CCc3ncnn32)CCc2cc(Br)ccc2C1 ZINC000639890570 653087569 /nfs/dbraw/zinc/08/75/69/653087569.db2.gz VLCOUBQYRMFSFU-NVXWUHKLSA-N 1 0 377.286 2.038 20 0 GEADRO C[C@]1(CO)C[N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C[C@@]1(C)CO ZINC000639891676 653087858 /nfs/dbraw/zinc/08/78/58/653087858.db2.gz LYDFIMCREHTBKP-OIISXLGYSA-N 1 0 378.296 2.046 20 0 GEADRO C[C@]12C[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC000639955098 653089630 /nfs/dbraw/zinc/08/96/30/653089630.db2.gz XYXMQXBGCFOUOJ-CALCHBBNSA-N 1 0 384.263 2.307 20 0 GEADRO COc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000676345660 653094941 /nfs/dbraw/zinc/09/49/41/653094941.db2.gz RHPXDPSACHRPQN-CYBMUJFWSA-N 1 0 383.286 2.441 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cnc(Cl)c(Br)c1 ZINC000767912732 653095767 /nfs/dbraw/zinc/09/57/67/653095767.db2.gz JDPTUGMYTMUQIB-WDEREUQCSA-N 1 0 389.681 2.482 20 0 GEADRO Cc1nn(C)c(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1Br ZINC000640166774 653100672 /nfs/dbraw/zinc/10/06/72/653100672.db2.gz FFKXMGDOAARARH-NSHDSACASA-N 1 0 388.310 2.113 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000676564993 653100663 /nfs/dbraw/zinc/10/06/63/653100663.db2.gz RORNOVQWYWCVKY-LYRGGWFBSA-N 1 0 376.881 2.351 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000676564388 653100788 /nfs/dbraw/zinc/10/07/88/653100788.db2.gz AEUWXKBXXMELCK-QLFBSQMISA-N 1 0 388.917 2.221 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000768177465 653104151 /nfs/dbraw/zinc/10/41/51/653104151.db2.gz TWWZAFZZLJGUTO-DTWKUNHWSA-N 1 0 389.681 2.035 20 0 GEADRO CN1CCO[C@H]([C@@H]([NH2+]CC2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000768232017 653106630 /nfs/dbraw/zinc/10/66/30/653106630.db2.gz JEYBTGXGIYEJCD-ROUUACIJSA-N 1 0 386.945 2.126 20 0 GEADRO O=C(Nc1cc(F)c(I)c(F)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601556508 653110658 /nfs/dbraw/zinc/11/06/58/653110658.db2.gz APJRAQNYMBPRCT-YUMQZZPRSA-N 1 0 379.148 2.147 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1nn(C)cc1Br)c1ccco1 ZINC000640309885 653114966 /nfs/dbraw/zinc/11/49/66/653114966.db2.gz RFMKSHBEHQINKP-LBPRGKRZSA-N 1 0 384.278 2.980 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)Nc2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000640315631 653118804 /nfs/dbraw/zinc/11/88/04/653118804.db2.gz RJDTXANPNTYKGO-DOMZBBRYSA-N 1 0 392.301 2.967 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCSC(F)(F)F)C1 ZINC000805637222 653126204 /nfs/dbraw/zinc/12/62/04/653126204.db2.gz JTVALMUIYOMJAJ-LBPRGKRZSA-N 1 0 383.480 2.372 20 0 GEADRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1cccc(I)c1 ZINC000771797453 653127129 /nfs/dbraw/zinc/12/71/29/653127129.db2.gz AILBXYLMTKUCSN-YGRLFVJLSA-N 1 0 388.249 2.369 20 0 GEADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000678113138 653127363 /nfs/dbraw/zinc/12/73/63/653127363.db2.gz URRUWIBMTKKXGW-HOTGVXAUSA-N 1 0 382.302 2.266 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)/C=C\c3cccc(Cl)c3)CC2)C1 ZINC000768836843 653129896 /nfs/dbraw/zinc/12/98/96/653129896.db2.gz ZOIILARWKVZIBM-JBMKGCFVSA-N 1 0 383.945 2.352 20 0 GEADRO CC[NH+](CC)CCSCC(=O)NCc1ccnc(N2CCSCC2)c1 ZINC000601850847 653130123 /nfs/dbraw/zinc/13/01/23/653130123.db2.gz HMIQFJPOMLXEFI-UHFFFAOYSA-N 1 0 382.599 2.326 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c(Br)c1 ZINC000678924002 653134297 /nfs/dbraw/zinc/13/42/97/653134297.db2.gz IJWLTVGAFBLBMM-NSHDSACASA-N 1 0 379.320 2.390 20 0 GEADRO CC[N@H+]1[C@H](C)CN(C(=O)CN(C)C(=O)c2ccc(Br)o2)C[C@@H]1C ZINC000640606566 653134331 /nfs/dbraw/zinc/13/43/31/653134331.db2.gz JKXCAQAPHNMRBG-TXEJJXNPSA-N 1 0 386.290 2.055 20 0 GEADRO Ic1cc2ncnc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2s1 ZINC000601980337 653136136 /nfs/dbraw/zinc/13/61/36/653136136.db2.gz IUFLEUFYHQJEBR-SCZZXKLOSA-N 1 0 386.262 2.484 20 0 GEADRO COc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc(I)c1OC ZINC000602023636 653138837 /nfs/dbraw/zinc/13/88/37/653138837.db2.gz ZEROZIJYTGIAJX-CMPLNLGQSA-N 1 0 390.265 2.335 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000679196849 653139966 /nfs/dbraw/zinc/13/99/66/653139966.db2.gz HSLCIORQYKJIID-LBPRGKRZSA-N 1 0 381.420 2.175 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)Cn1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640836021 653140634 /nfs/dbraw/zinc/14/06/34/653140634.db2.gz QPJAPKPGOLQNIC-GOEBONIOSA-N 1 0 394.273 2.167 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)Cn1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640836023 653140729 /nfs/dbraw/zinc/14/07/29/653140729.db2.gz QPJAPKPGOLQNIC-ZBFHGGJFSA-N 1 0 394.273 2.167 20 0 GEADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cccc(Br)c3)nn2)n1 ZINC000640843025 653141151 /nfs/dbraw/zinc/14/11/51/653141151.db2.gz YNFPWWFEWWJRQJ-UHFFFAOYSA-N 1 0 375.274 2.443 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000679316238 653143487 /nfs/dbraw/zinc/14/34/87/653143487.db2.gz PTAYFNNVRANTRP-UHFFFAOYSA-N 1 0 375.332 2.358 20 0 GEADRO [NH3+]CCCCc1cn(CC(=O)Nc2c(F)cc(F)cc2Br)nn1 ZINC000640895199 653144368 /nfs/dbraw/zinc/14/43/68/653144368.db2.gz IVSJFHVKGIDZCV-UHFFFAOYSA-N 1 0 388.216 2.239 20 0 GEADRO O=C(Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)Nc1ccc(Br)cc1Cl ZINC000640896314 653144880 /nfs/dbraw/zinc/14/48/80/653144880.db2.gz XCSNGIMWZNSHPE-JTQLQIEISA-N 1 0 398.692 2.485 20 0 GEADRO O=C(Cn1cc(CC[NH+]2CCCCC2)nn1)Nc1ccc(Br)cn1 ZINC000640896911 653145115 /nfs/dbraw/zinc/14/51/15/653145115.db2.gz DULFQMFBXHMALV-UHFFFAOYSA-N 1 0 393.289 2.103 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000640979547 653148111 /nfs/dbraw/zinc/14/81/11/653148111.db2.gz KOUVDTOUFCJKDS-LLVKDONJSA-N 1 0 398.330 2.228 20 0 GEADRO CS[C@H]1CN(C(=O)CC2CCN(CC(F)F)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000602136358 653149736 /nfs/dbraw/zinc/14/97/36/653149736.db2.gz RLEYTLAOAFBNIP-HOTGVXAUSA-N 1 0 375.529 2.392 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]CC1)N(CCO)Cc1ccc(Br)s1 ZINC000641041808 653152299 /nfs/dbraw/zinc/15/22/99/653152299.db2.gz DRTDDWQMKJUGBH-LLVKDONJSA-N 1 0 376.320 2.157 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000769402440 653152822 /nfs/dbraw/zinc/15/28/22/653152822.db2.gz JBIAFNZRHDHEME-GFCCVEGCSA-N 1 0 388.946 2.326 20 0 GEADRO CC(C)N1CC[C@@H](n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641045221 653152895 /nfs/dbraw/zinc/15/28/95/653152895.db2.gz HZOZRSCUIOUWDP-CABCVRRESA-N 1 0 378.274 2.271 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC000806168321 653154575 /nfs/dbraw/zinc/15/45/75/653154575.db2.gz IQLBWDHKECHOFT-UHFFFAOYSA-N 1 0 392.301 2.280 20 0 GEADRO COc1cc(CNCc2ccc(S(N)(=O)=O)s2)ccc1OC(F)F ZINC000679899981 653157649 /nfs/dbraw/zinc/15/76/49/653157649.db2.gz NPIVCAFTADVVAJ-UHFFFAOYSA-N 1 0 378.422 2.295 20 0 GEADRO CC[NH+](CC)CCCC1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1 ZINC000679899197 653157893 /nfs/dbraw/zinc/15/78/93/653157893.db2.gz IIELBBUHWBNETO-UHFFFAOYSA-N 1 0 375.579 2.065 20 0 GEADRO C[C@H](CNC(=O)c1nn(C)cc1I)[N@@H+]1CCCC[C@H]1C ZINC000602241373 653161093 /nfs/dbraw/zinc/16/10/93/653161093.db2.gz DNHWLKRXDCYFJQ-GHMZBOCLSA-N 1 0 390.269 2.017 20 0 GEADRO Cc1cc(S(=O)(=O)NCCNC(=O)CCCC[NH+]2CCCC2)c(C)s1 ZINC000772728765 653162756 /nfs/dbraw/zinc/16/27/56/653162756.db2.gz ZHFTZDXBHMZPKJ-UHFFFAOYSA-N 1 0 387.571 2.026 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641164212 653164339 /nfs/dbraw/zinc/16/43/39/653164339.db2.gz MBDIOMZIRPCFOL-BZNIZROVSA-N 1 0 390.285 2.319 20 0 GEADRO COCC[C@@H]([NH3+])Cc1cn(Cc2ccc(Br)c(F)c2F)nn1 ZINC000641168135 653164854 /nfs/dbraw/zinc/16/48/54/653164854.db2.gz BWZFEBUGAWNKII-SNVBAGLBSA-N 1 0 375.217 2.273 20 0 GEADRO CC(C)c1nnc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)[nH]1 ZINC000641171705 653165209 /nfs/dbraw/zinc/16/52/09/653165209.db2.gz VOSUDAJVFPGJAZ-AWEZNQCLSA-N 1 0 376.262 2.379 20 0 GEADRO Cn1cncc1CCCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641178100 653166652 /nfs/dbraw/zinc/16/66/52/653166652.db2.gz RBBUDOYYTXLVQE-MRXNPFEDSA-N 1 0 375.274 2.455 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000806504802 653166963 /nfs/dbraw/zinc/16/69/63/653166963.db2.gz QONGXLSQCSHQMC-HZPDHXFCSA-N 1 0 396.329 2.363 20 0 GEADRO O[C@@H](COc1cccc(Br)c1)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641196087 653168458 /nfs/dbraw/zinc/16/84/58/653168458.db2.gz NSVSVELENXRJAQ-XJKSGUPXSA-N 1 0 395.301 2.023 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)nn1)[C@@H]1CCCO1 ZINC000641196019 653168511 /nfs/dbraw/zinc/16/85/11/653168511.db2.gz MVBPOKXVKFTRTL-XFBWCDHKSA-N 1 0 387.267 2.204 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@@H](O)CC(F)(F)F)nn1)c1ccc(Br)cc1 ZINC000641212558 653170195 /nfs/dbraw/zinc/17/01/95/653170195.db2.gz LVMZWKXLTRQWQH-CMPLNLGQSA-N 1 0 379.180 2.402 20 0 GEADRO [NH3+][C@@H](c1cn(CC2(O)CCSCC2)nn1)c1ccc(Br)cc1 ZINC000641219138 653170790 /nfs/dbraw/zinc/17/07/90/653170790.db2.gz FCBCMEOOTFIWJP-CQSZACIVSA-N 1 0 383.315 2.347 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000641228335 653171441 /nfs/dbraw/zinc/17/14/41/653171441.db2.gz HRNAUGZIUZCQCT-CQSZACIVSA-N 1 0 399.264 2.087 20 0 GEADRO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000602347806 653173047 /nfs/dbraw/zinc/17/30/47/653173047.db2.gz ONAWRRNLPBLQGK-DOPJRALCSA-N 1 0 389.323 2.264 20 0 GEADRO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000602347809 653173239 /nfs/dbraw/zinc/17/32/39/653173239.db2.gz ONAWRRNLPBLQGK-VHSSKADRSA-N 1 0 389.323 2.264 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)ccc1Br ZINC000772948141 653173355 /nfs/dbraw/zinc/17/33/55/653173355.db2.gz ZJGCKVYBDWPXMU-NSHDSACASA-N 1 0 383.290 2.082 20 0 GEADRO O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000602350257 653173460 /nfs/dbraw/zinc/17/34/60/653173460.db2.gz XDLNXALIEIOYGW-CABCVRRESA-N 1 0 383.286 2.209 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@H](CC)c1ccc(I)cc1 ZINC000772965558 653174681 /nfs/dbraw/zinc/17/46/81/653174681.db2.gz QDZQOXFXASPNQR-CYBMUJFWSA-N 1 0 396.294 2.271 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(Br)cc2F)[C@H](C)C1 ZINC000806787193 653175197 /nfs/dbraw/zinc/17/51/97/653175197.db2.gz GEWKRZJAWLGPPW-NEPJUHHUSA-N 1 0 388.281 2.185 20 0 GEADRO COc1cc(CS(=O)(=O)NC[C@H](C)N2CCc3sccc3C2)sn1 ZINC000641272233 653176232 /nfs/dbraw/zinc/17/62/32/653176232.db2.gz PWXVDCFQFURFIS-NSHDSACASA-N 1 0 387.552 2.079 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)NCc2ccsc2C(F)(F)F)CC[N@H+](C)C1 ZINC000602387350 653176778 /nfs/dbraw/zinc/17/67/78/653176778.db2.gz PWGSUWLUGTUDHJ-NSHDSACASA-N 1 0 379.404 2.013 20 0 GEADRO CN1CC[NH+](CCCCNc2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641290486 653179688 /nfs/dbraw/zinc/17/96/88/653179688.db2.gz XMGYGOYHESFEQG-UHFFFAOYSA-N 1 0 396.255 2.697 20 0 GEADRO C[S@](=O)C1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CC[NH2+]CC1 ZINC000602460509 653183060 /nfs/dbraw/zinc/18/30/60/653183060.db2.gz UIJBQJLHUCXRBS-VWLOTQADSA-N 1 0 398.941 2.222 20 0 GEADRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cnn3cc(Br)cnc13)CC2 ZINC000602474530 653184484 /nfs/dbraw/zinc/18/44/84/653184484.db2.gz XVOIQXQDPSTSKS-ZDUSSCGKSA-N 1 0 379.258 2.267 20 0 GEADRO C[S@](=O)C1(C(=O)Nc2ccnc(Sc3ccccn3)c2)CC[NH2+]CC1 ZINC000602476741 653184817 /nfs/dbraw/zinc/18/48/17/653184817.db2.gz ZJZFBZNIDXUWJR-VWLOTQADSA-N 1 0 376.507 2.067 20 0 GEADRO C[S@](=O)C1(C(=O)Nc2cccc(OCc3cscn3)c2)CC[NH2+]CC1 ZINC000602476652 653184866 /nfs/dbraw/zinc/18/48/66/653184866.db2.gz YXYABSIHMKCYMC-VWLOTQADSA-N 1 0 379.507 2.161 20 0 GEADRO COCC[NH2+]CCNC(=O)c1cc(C)c(Cl)cc1I ZINC000602485205 653186062 /nfs/dbraw/zinc/18/60/62/653186062.db2.gz QDAOSQDYEHMXCO-UHFFFAOYSA-N 1 0 396.656 2.219 20 0 GEADRO C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602502721 653186864 /nfs/dbraw/zinc/18/68/64/653186864.db2.gz NAQVEXLEOGCCFF-UOXLDJKESA-N 1 0 376.444 2.253 20 0 GEADRO C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602502731 653186917 /nfs/dbraw/zinc/18/69/17/653186917.db2.gz NAQVEXLEOGCCFF-YDBLSZJJSA-N 1 0 376.444 2.253 20 0 GEADRO C[S@@](=O)C1(C(=O)NCCOCc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000602502215 653186967 /nfs/dbraw/zinc/18/69/67/653186967.db2.gz JZMCKTNLWOOLKE-XMMPIXPASA-N 1 0 393.336 2.127 20 0 GEADRO C[S@@](=O)C1(C(=O)NCc2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000602513751 653187255 /nfs/dbraw/zinc/18/72/55/653187255.db2.gz IFVQODXVLUMOMZ-OAQYLSRUSA-N 1 0 393.734 2.219 20 0 GEADRO C[C@@H]1COCC[C@@H]1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000641328778 653187717 /nfs/dbraw/zinc/18/77/17/653187717.db2.gz JXDROIOKPBZJMQ-CVEARBPZSA-N 1 0 376.588 2.083 20 0 GEADRO C[C@@H]1COCC[C@H]1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000641328790 653187842 /nfs/dbraw/zinc/18/78/42/653187842.db2.gz JXDROIOKPBZJMQ-HZPDHXFCSA-N 1 0 376.588 2.083 20 0 GEADRO C[NH+](C)CCN(C(=O)c1ccc2ncc(I)n2c1)C1CC1 ZINC000807265183 653188522 /nfs/dbraw/zinc/18/85/22/653188522.db2.gz FZYGXPUNXBGJAX-UHFFFAOYSA-N 1 0 398.248 2.105 20 0 GEADRO [NH3+]C1(CNC(=O)c2ccc(I)cc2Cl)CCOCC1 ZINC000602540095 653189517 /nfs/dbraw/zinc/18/95/17/653189517.db2.gz VUXYNFOZTJIYHI-UHFFFAOYSA-N 1 0 394.640 2.182 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000681790254 653191314 /nfs/dbraw/zinc/19/13/14/653191314.db2.gz BOODOYZRYQXNST-XNRPHZJLSA-N 1 0 394.313 2.401 20 0 GEADRO COC(=O)c1csc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000602581383 653192009 /nfs/dbraw/zinc/19/20/09/653192009.db2.gz JEOJJIVYLOIATI-UHFFFAOYSA-N 1 0 384.479 2.075 20 0 GEADRO C[S@@](=O)C1(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000602604741 653193825 /nfs/dbraw/zinc/19/38/25/653193825.db2.gz XFAKTMNPRHLHCY-XMMPIXPASA-N 1 0 382.835 2.476 20 0 GEADRO NC(=O)C[C@H]([NH2+]Cc1ccc(I)s1)C1CCOCC1 ZINC000602610543 653194396 /nfs/dbraw/zinc/19/43/96/653194396.db2.gz ATNBBUNJEPNQSS-NSHDSACASA-N 1 0 394.278 2.113 20 0 GEADRO CCOC(=O)[C@@](C)(C[NH2+]Cc1ccc(S(N)(=O)=O)s1)c1ccccc1 ZINC000602628006 653196211 /nfs/dbraw/zinc/19/62/11/653196211.db2.gz ACTWZYNCKCARJN-KRWDZBQOSA-N 1 0 382.507 2.006 20 0 GEADRO COc1cc(CS(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000641384796 653196574 /nfs/dbraw/zinc/19/65/74/653196574.db2.gz XLYYLJNWGPCBCL-HNNXBMFYSA-N 1 0 381.523 2.188 20 0 GEADRO Cc1ccc([C@](O)(CC(=O)NC[C@@]2([NH+](C)C)CCSC2)C(F)(F)F)o1 ZINC000773421196 653198487 /nfs/dbraw/zinc/19/84/87/653198487.db2.gz NANVGKYGGJVJAU-LSDHHAIUSA-N 1 0 380.432 2.282 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1c(O)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000770122042 653199402 /nfs/dbraw/zinc/19/94/02/653199402.db2.gz QBHATAUYCQOFJX-ZDUSSCGKSA-N 1 0 388.917 2.017 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)on1 ZINC000602683042 653200237 /nfs/dbraw/zinc/20/02/37/653200237.db2.gz HFRBRKUSLOAZJP-ZDUSSCGKSA-N 1 0 397.269 2.473 20 0 GEADRO CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)C(C)C ZINC000807662962 653201301 /nfs/dbraw/zinc/20/13/01/653201301.db2.gz IGYRQDQGLGDVEP-PMPSAXMXSA-N 1 0 387.615 2.107 20 0 GEADRO COC(=O)[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1Br ZINC000602709666 653201755 /nfs/dbraw/zinc/20/17/55/653201755.db2.gz OULGSHMSKHHTDK-MRXNPFEDSA-N 1 0 399.329 2.488 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000773532452 653204642 /nfs/dbraw/zinc/20/46/42/653204642.db2.gz UFQKIIKREHHPON-LALPHHSUSA-N 1 0 380.432 2.232 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CCOC1 ZINC000602810860 653207781 /nfs/dbraw/zinc/20/77/81/653207781.db2.gz PCVZSUSQUQAMQK-CJNGLKHVSA-N 1 0 378.252 2.045 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682493318 653214881 /nfs/dbraw/zinc/21/48/81/653214881.db2.gz BTUWUQGVFJGARX-GFCCVEGCSA-N 1 0 388.737 2.397 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CN1c2cc(Br)ccc2C(=O)C1=O ZINC000808190482 653221511 /nfs/dbraw/zinc/22/15/11/653221511.db2.gz GDMLDEVPEYABIH-SWLSCSKDSA-N 1 0 392.297 2.495 20 0 GEADRO COC(=O)c1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(C)c1Br ZINC000808190357 653221642 /nfs/dbraw/zinc/22/16/42/653221642.db2.gz FQOKDFBNMUDOES-WCQYABFASA-N 1 0 385.306 2.257 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000641589056 653223194 /nfs/dbraw/zinc/22/31/94/653223194.db2.gz IEVHBZMWRNOYKG-CYBMUJFWSA-N 1 0 385.555 2.052 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000770744514 653223676 /nfs/dbraw/zinc/22/36/76/653223676.db2.gz BLHIVSASIDPUFS-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000774099054 653224513 /nfs/dbraw/zinc/22/45/13/653224513.db2.gz FKAZEEJQJKJSQM-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2cc3sc(=O)n(C)c3cc2C)C[C@@H]1[NH+](C)C ZINC000603056045 653224607 /nfs/dbraw/zinc/22/46/07/653224607.db2.gz QDKNKUUTZQTTBK-ZFWWWQNUSA-N 1 0 380.539 2.418 20 0 GEADRO CS[C@@H]1CN(C(=O)Nc2cc3sc(=O)n(C)c3cc2C)C[C@@H]1[NH+](C)C ZINC000603056038 653224617 /nfs/dbraw/zinc/22/46/17/653224617.db2.gz QDKNKUUTZQTTBK-DZGCQCFKSA-N 1 0 380.539 2.418 20 0 GEADRO COc1cc(CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)sn1 ZINC000641642361 653226755 /nfs/dbraw/zinc/22/67/55/653226755.db2.gz VXJZYENBXORCIZ-OAHLLOKOSA-N 1 0 381.523 2.154 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000641647245 653227473 /nfs/dbraw/zinc/22/74/73/653227473.db2.gz KPHMDPCAQQYACE-UHFFFAOYSA-N 1 0 379.448 2.011 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000641647288 653227666 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C[C@H]([NH3+])CCNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000857107082 653283814 /nfs/dbraw/zinc/28/38/14/653283814.db2.gz KQKBQLAQFLREQZ-NGZCFLSTSA-N 1 0 383.128 2.261 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NCC[C@H](C)[NH3+] ZINC000857109716 653284764 /nfs/dbraw/zinc/28/47/64/653284764.db2.gz ZDPHQNMNDWFIMI-NSHDSACASA-N 1 0 375.300 2.378 20 0 GEADRO CC(C)(C)NS(=O)(=O)CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809610338 653284598 /nfs/dbraw/zinc/28/45/98/653284598.db2.gz QMQNJWHPDFVICE-UHFFFAOYSA-N 1 0 379.567 2.330 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNCc2nc3ccccn3c2Br)CC1 ZINC000809604158 653284878 /nfs/dbraw/zinc/28/48/78/653284878.db2.gz GACUBGPKJKNQBF-UHFFFAOYSA-N 1 0 380.334 2.212 20 0 GEADRO COC(=O)[C@]12C[N@H+](Cc3ccc(OC)cc3Br)C[C@H]1COCC2 ZINC000809657467 653287649 /nfs/dbraw/zinc/28/76/49/653287649.db2.gz HIWLTTMUMGCUPM-SUMWQHHRSA-N 1 0 384.270 2.469 20 0 GEADRO C[C@H](O)c1ncc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)s1 ZINC000809660335 653288987 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Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000685103324 653297125 /nfs/dbraw/zinc/29/71/25/653297125.db2.gz PODYEKNWUNHSSW-CJNGLKHVSA-N 1 0 396.329 2.315 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)C1 ZINC000775166312 653297325 /nfs/dbraw/zinc/29/73/25/653297325.db2.gz WPIPGXUHGVFFIA-QLFBSQMISA-N 1 0 390.355 2.409 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000775168003 653298228 /nfs/dbraw/zinc/29/82/28/653298228.db2.gz DXLKLZJWDILSLL-XQQFMLRXSA-N 1 0 378.344 2.169 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1Br ZINC000857236472 653301775 /nfs/dbraw/zinc/30/17/75/653301775.db2.gz ZHMAUUHINSRRFV-XHDPSFHLSA-N 1 0 387.299 2.154 20 0 GEADRO CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000857242095 653301903 /nfs/dbraw/zinc/30/19/03/653301903.db2.gz QKNQWIJDQPLOLD-LLVKDONJSA-N 1 0 385.180 2.024 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 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653443980 /nfs/dbraw/zinc/44/39/80/653443980.db2.gz NAHUTUBLRWWXBW-GFCCVEGCSA-N 1 0 379.555 2.484 20 0 GEADRO CC1(C)OCC(CO)([NH2+]CCOc2cc(F)cc(Br)c2)CO1 ZINC000812837722 653444496 /nfs/dbraw/zinc/44/44/96/653444496.db2.gz HWTKIICMNGGASM-UHFFFAOYSA-N 1 0 378.238 2.071 20 0 GEADRO Cn1nc(I)cc1C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000876836229 653450228 /nfs/dbraw/zinc/45/02/28/653450228.db2.gz QWQWYTWKAUQTGP-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc2c(ccnc2Cl)s1 ZINC000876835027 653450349 /nfs/dbraw/zinc/45/03/49/653450349.db2.gz RFMVTYFAFDZTMA-LLVKDONJSA-N 1 0 380.901 2.409 20 0 GEADRO CC[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000876849253 653450940 /nfs/dbraw/zinc/45/09/40/653450940.db2.gz XPEHHEIESXRHRZ-DLBZAZTESA-N 1 0 380.330 2.449 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC000778632843 653451334 /nfs/dbraw/zinc/45/13/34/653451334.db2.gz VTIFOLABPONAHJ-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000812988899 653451613 /nfs/dbraw/zinc/45/16/13/653451613.db2.gz PGQHRKFUWBQZMH-LBPRGKRZSA-N 1 0 383.290 2.080 20 0 GEADRO C[NH+](C)C[C@H](N)C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000876875822 653451643 /nfs/dbraw/zinc/45/16/43/653451643.db2.gz CANPYCBTXVYFNZ-DLBZAZTESA-N 1 0 391.313 2.133 20 0 GEADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000876887893 653452116 /nfs/dbraw/zinc/45/21/16/653452116.db2.gz JDGGTZSDJGTIID-UHFFFAOYSA-N 1 0 399.563 2.314 20 0 GEADRO C[C@H](NS(=O)(=O)c1cnc(Cl)n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778658420 653452749 /nfs/dbraw/zinc/45/27/49/653452749.db2.gz ONMVRBBTXORODY-ZFWWWQNUSA-N 1 0 382.917 2.262 20 0 GEADRO C[C@H](NS(=O)(=O)c1cnc(Cl)n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778658417 653452954 /nfs/dbraw/zinc/45/29/54/653452954.db2.gz ONMVRBBTXORODY-DZGCQCFKSA-N 1 0 382.917 2.262 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)c1c(C[NH3+])cnn1C ZINC000876898168 653452977 /nfs/dbraw/zinc/45/29/77/653452977.db2.gz ZXNOGDRIZJHOAJ-UHFFFAOYSA-N 1 0 381.274 2.013 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc(Br)cnc3F)CC2)C1 ZINC000876921203 653454518 /nfs/dbraw/zinc/45/45/18/653454518.db2.gz MINSFTODXYOLNL-JSGCOSHPSA-N 1 0 386.265 2.342 20 0 GEADRO [NH3+][C@H](C(=O)N(CCN1CCOCC1)CC1CC1)c1cccc(Br)c1 ZINC000876973548 653457327 /nfs/dbraw/zinc/45/73/27/653457327.db2.gz JUTIIXFZILAUGE-KRWDZBQOSA-N 1 0 396.329 2.020 20 0 GEADRO [NH3+][C@@H](C(=O)N(CCN1CCOCC1)CC1CC1)c1cccc(Br)c1 ZINC000876973549 653457569 /nfs/dbraw/zinc/45/75/69/653457569.db2.gz JUTIIXFZILAUGE-QGZVFWFLSA-N 1 0 396.329 2.020 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000877001749 653459059 /nfs/dbraw/zinc/45/90/59/653459059.db2.gz HYLPIOPROGVHDQ-ZDUSSCGKSA-N 1 0 377.901 2.288 20 0 GEADRO O=S1(=O)CCC(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000877007356 653459112 /nfs/dbraw/zinc/45/91/12/653459112.db2.gz MUBYSOGUXOCXSY-HNNXBMFYSA-N 1 0 387.343 2.442 20 0 GEADRO C[C@@H](CNCc1nc(Cl)ccc1Br)C[NH+]1CCN(C)CC1 ZINC000877017356 653460379 /nfs/dbraw/zinc/46/03/79/653460379.db2.gz SYVUQOGCQDFBIC-LBPRGKRZSA-N 1 0 375.742 2.471 20 0 GEADRO COC(=O)[C@@]1(NC(=O)CCCCC[NH3+])CCc2cc(Br)ccc2C1 ZINC000877023266 653461331 /nfs/dbraw/zinc/46/13/31/653461331.db2.gz LIQNVWUTSOIPNQ-GOSISDBHSA-N 1 0 397.313 2.485 20 0 GEADRO C[NH2+]CCOCCNC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000877024003 653461483 /nfs/dbraw/zinc/46/14/83/653461483.db2.gz NJDXKIUPWVZJBZ-UHFFFAOYSA-N 1 0 385.180 2.314 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C[NH2+]1 ZINC000877048665 653463168 /nfs/dbraw/zinc/46/31/68/653463168.db2.gz OBWIWVPYXZDYSJ-YPMHNXCESA-N 1 0 387.933 2.287 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000779102313 653466455 /nfs/dbraw/zinc/46/64/55/653466455.db2.gz JPFJVXFCEPVFRL-GJZGRUSLSA-N 1 0 391.331 2.198 20 0 GEADRO C[C@H]([NH3+])CN(C)C(=O)c1cccc(Br)c1I ZINC000877103902 653466581 /nfs/dbraw/zinc/46/65/81/653466581.db2.gz VYBBZYYCGHRKQW-ZETCQYMHSA-N 1 0 397.054 2.473 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000877148292 653468896 /nfs/dbraw/zinc/46/88/96/653468896.db2.gz IWAWBSLWZOSMOF-UHFFFAOYSA-N 1 0 384.303 2.036 20 0 GEADRO CN(CC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)C(=O)c1ccc(Br)o1 ZINC000877156534 653469027 /nfs/dbraw/zinc/46/90/27/653469027.db2.gz WYKLPWTYRFXOAO-LLVKDONJSA-N 1 0 386.290 2.009 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000877260719 653473178 /nfs/dbraw/zinc/47/31/78/653473178.db2.gz DXKHDVFPGMOHFV-ZLDMJSGGSA-N 1 0 387.281 2.317 20 0 GEADRO CCOC(=O)c1sc(C2CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)nc1C ZINC000877260966 653473670 /nfs/dbraw/zinc/47/36/70/653473670.db2.gz GHDGORZZRAPFPP-NSHDSACASA-N 1 0 375.441 2.317 20 0 GEADRO COCCC1(NC(=O)CCOc2ccccc2Br)CC[NH2+]CC1 ZINC000877266970 653474026 /nfs/dbraw/zinc/47/40/26/653474026.db2.gz NSIISSCDRZDKHN-UHFFFAOYSA-N 1 0 385.302 2.493 20 0 GEADRO O=C1O[C@H](C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)CN1C1CC1 ZINC000859573690 653474814 /nfs/dbraw/zinc/47/48/14/653474814.db2.gz ASDDAGDADZHKAG-AEFFLSMTSA-N 1 0 395.297 2.242 20 0 GEADRO O=C(NCCNc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000779350558 653475606 /nfs/dbraw/zinc/47/56/06/653475606.db2.gz JNXWRWIVTCAYOW-JKSUJKDBSA-N 1 0 397.317 2.023 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877328515 653476591 /nfs/dbraw/zinc/47/65/91/653476591.db2.gz HXFUJPTWHANDOB-CYBMUJFWSA-N 1 0 385.277 2.406 20 0 GEADRO COc1ccc(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Br ZINC000877337069 653477417 /nfs/dbraw/zinc/47/74/17/653477417.db2.gz WYBKYKHWLMXQCA-ZDUSSCGKSA-N 1 0 383.286 2.346 20 0 GEADRO C[C@H](CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)n1cc(Br)cn1 ZINC000877340178 653477701 /nfs/dbraw/zinc/47/77/01/653477701.db2.gz JUSOHWVOBOYDJO-WBMJQRKESA-N 1 0 377.286 2.427 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000877359669 653478413 /nfs/dbraw/zinc/47/84/13/653478413.db2.gz IDYUPKSBXKSTEX-NXEZZACHSA-N 1 0 381.192 2.424 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)c3nccn3c2)C[C@H]1C(F)(F)F ZINC000877356673 653478674 /nfs/dbraw/zinc/47/86/74/653478674.db2.gz TWTQJCNLJVQBJG-NXEZZACHSA-N 1 0 391.191 2.306 20 0 GEADRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877366690 653479593 /nfs/dbraw/zinc/47/95/93/653479593.db2.gz AEYUSEDWLMOYBN-WZRBSPASSA-N 1 0 377.432 2.098 20 0 GEADRO CC(C)S(=O)(=O)c1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877369158 653479639 /nfs/dbraw/zinc/47/96/39/653479639.db2.gz UCYQIPXZDLMOFU-DGCLKSJQSA-N 1 0 378.416 2.078 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cc1csc(NC(=O)c3cccs3)n1)C2 ZINC000877374495 653480141 /nfs/dbraw/zinc/48/01/41/653480141.db2.gz AYMPDKFTSCSFOT-APPDUMDISA-N 1 0 376.507 2.067 20 0 GEADRO [NH3+]CCCOCCNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000859659012 653480362 /nfs/dbraw/zinc/48/03/62/653480362.db2.gz AKPMLZPWZSEZSQ-UHFFFAOYSA-N 1 0 396.083 2.094 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c1I ZINC000877386387 653485085 /nfs/dbraw/zinc/48/50/85/653485085.db2.gz QLGALUVUKOLPCU-RISCZKNCSA-N 1 0 388.253 2.083 20 0 GEADRO Cc1c(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)nnn1-c1cccc(Br)c1 ZINC000877393330 653494593 /nfs/dbraw/zinc/49/45/93/653494593.db2.gz PNSDFNUGZNORFH-RHSMWYFYSA-N 1 0 390.285 2.353 20 0 GEADRO COCCc1ncc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)s1 ZINC000877566791 653612360 /nfs/dbraw/zinc/61/23/60/653612360.db2.gz PIEQCOQYECFIPZ-RYUDHWBXSA-N 1 0 377.432 2.175 20 0 GEADRO COC(=O)c1csc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC000877566965 653612517 /nfs/dbraw/zinc/61/25/17/653612517.db2.gz RPXPSVYIPCWHFP-ZYHUDNBSSA-N 1 0 376.400 2.377 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1Br ZINC000877579184 653613108 /nfs/dbraw/zinc/61/31/08/653613108.db2.gz NVLFLQBDZVODTM-WFASDCNBSA-N 1 0 381.270 2.479 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(CC)(N2CCOCC2)CC1 ZINC000860029755 653615417 /nfs/dbraw/zinc/61/54/17/653615417.db2.gz BVFLRNYGFZSEHC-INIZCTEOSA-N 1 0 378.450 2.148 20 0 GEADRO CCOc1cc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc(Br)c1O ZINC000877665183 653616161 /nfs/dbraw/zinc/61/61/61/653616161.db2.gz KOALMAPFDYKDOT-ZDUSSCGKSA-N 1 0 387.318 2.488 20 0 GEADRO COc1ccc(OCC[NH2+]Cc2c(I)cnn2C)cc1 ZINC000877775663 653619110 /nfs/dbraw/zinc/61/91/10/653619110.db2.gz YMBQYNNOCVGBJL-UHFFFAOYSA-N 1 0 387.221 2.202 20 0 GEADRO O[C@H](CN1CC[NH+](CCc2ccccc2)CC1)c1cc(Br)no1 ZINC000877915479 653623078 /nfs/dbraw/zinc/62/30/78/653623078.db2.gz UUENFZAEIOTNBA-OAHLLOKOSA-N 1 0 380.286 2.331 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)NCCC[NH+]2CCCCC2)cs1)C(N)=O ZINC000877982470 653625254 /nfs/dbraw/zinc/62/52/54/653625254.db2.gz UUPWARLQZFIICK-CQSZACIVSA-N 1 0 384.571 2.034 20 0 GEADRO CN(CC(=O)NC1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000877989800 653625411 /nfs/dbraw/zinc/62/54/11/653625411.db2.gz FKGKDMNDMPTWSM-SJLPKXTDSA-N 1 0 386.323 2.094 20 0 GEADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000877997090 653625588 /nfs/dbraw/zinc/62/55/88/653625588.db2.gz HBGWMKDWLWPKAS-JLJPHGGASA-N 1 0 399.329 2.346 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cn1c(=O)oc2ccc(Br)cc21 ZINC000780481358 653626542 /nfs/dbraw/zinc/62/65/42/653626542.db2.gz WJIOBQBEPIWZKN-GFCCVEGCSA-N 1 0 398.301 2.092 20 0 GEADRO C[C@H]1CN(Cn2c(=O)oc3cc(Br)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000780504322 653626890 /nfs/dbraw/zinc/62/68/90/653626890.db2.gz PTWIFWWXPZLZRW-LBPRGKRZSA-N 1 0 398.301 2.092 20 0 GEADRO C[C@H]1CN(Cn2c(=O)oc3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000780504071 653626975 /nfs/dbraw/zinc/62/69/75/653626975.db2.gz OMASXBZRQZLMJX-LBPRGKRZSA-N 1 0 398.301 2.092 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000878034508 653626995 /nfs/dbraw/zinc/62/69/95/653626995.db2.gz FYAXNMPQUWRFSA-UHFFFAOYSA-N 1 0 379.408 2.133 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCC[C@@]3(C)CC3(Cl)Cl)CC2)C1 ZINC000838686363 653628925 /nfs/dbraw/zinc/62/89/25/653628925.db2.gz LNKUNTDNINRIRI-HOCLYGCPSA-N 1 0 377.360 2.382 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000780704253 653631000 /nfs/dbraw/zinc/63/10/00/653631000.db2.gz KJWOIYAZROCLCJ-SNVBAGLBSA-N 1 0 395.294 2.359 20 0 GEADRO Nc1nc(N2CCC[C@@H](OC(=O)c3ncccc3Br)C2)cc[nH+]1 ZINC000838875602 653633019 /nfs/dbraw/zinc/63/30/19/653633019.db2.gz ZEMPHMLQZDGNRV-SNVBAGLBSA-N 1 0 378.230 2.042 20 0 GEADRO Nc1nc(N2CCC[C@H](OC(=O)c3ncccc3Br)C2)cc[nH+]1 ZINC000838875599 653633062 /nfs/dbraw/zinc/63/30/62/653633062.db2.gz ZEMPHMLQZDGNRV-JTQLQIEISA-N 1 0 378.230 2.042 20 0 GEADRO Cn1cc(Br)c(COC(=O)CC2([NH+]3CCOCC3)CCCC2)n1 ZINC000814469663 653633511 /nfs/dbraw/zinc/63/35/11/653633511.db2.gz SMHWOODAXPMOQK-UHFFFAOYSA-N 1 0 386.290 2.261 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000860676876 653633842 /nfs/dbraw/zinc/63/38/42/653633842.db2.gz GFGCOGINLROILP-UHFFFAOYSA-N 1 0 393.285 2.371 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(I)cc1 ZINC000780867202 653634072 /nfs/dbraw/zinc/63/40/72/653634072.db2.gz YDXIAQKQWPPWLZ-NSHDSACASA-N 1 0 394.278 2.054 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000780865775 653634175 /nfs/dbraw/zinc/63/41/75/653634175.db2.gz CMUWYWHYWBMXCB-VIFPVBQESA-N 1 0 383.258 2.490 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000780867606 653634227 /nfs/dbraw/zinc/63/42/27/653634227.db2.gz RCALBDRFNATGRN-LBPRGKRZSA-N 1 0 390.347 2.278 20 0 GEADRO O[C@@H](CN1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000878338300 653635087 /nfs/dbraw/zinc/63/50/87/653635087.db2.gz OWYZAFROOUHSFZ-KRWDZBQOSA-N 1 0 389.323 2.186 20 0 GEADRO O=C1CCCN1C[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccccc1 ZINC000878350014 653635579 /nfs/dbraw/zinc/63/55/79/653635579.db2.gz IZUIZCKLOKSDPJ-KBPBESRZSA-N 1 0 394.269 2.424 20 0 GEADRO CCOc1cc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc(Cl)c1O ZINC000838934425 653636191 /nfs/dbraw/zinc/63/61/91/653636191.db2.gz WBMHDYLMMOGXBJ-UHFFFAOYSA-N 1 0 390.933 2.043 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000781027359 653637091 /nfs/dbraw/zinc/63/70/91/653637091.db2.gz OBAVECOAGLHXFK-UHFFFAOYSA-N 1 0 383.286 2.489 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000860827395 653638554 /nfs/dbraw/zinc/63/85/54/653638554.db2.gz ZGYKHXQCGJLNGD-WMLDXEAASA-N 1 0 375.296 2.236 20 0 GEADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)CC1(O)CCCC1 ZINC000878506092 653639298 /nfs/dbraw/zinc/63/92/98/653639298.db2.gz CRQQKGPZDMRHAQ-LBPRGKRZSA-N 1 0 378.332 2.361 20 0 GEADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878522850 653640038 /nfs/dbraw/zinc/64/00/38/653640038.db2.gz UASSMNZZRRREAB-SUYBPPKGSA-N 1 0 378.296 2.373 20 0 GEADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878522841 653640222 /nfs/dbraw/zinc/64/02/22/653640222.db2.gz UASSMNZZRRREAB-HACGYAERSA-N 1 0 378.296 2.373 20 0 GEADRO 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ZINC000841227617 653711111 /nfs/dbraw/zinc/71/11/11/653711111.db2.gz BVHCLPFONMVEMP-CMPLNLGQSA-N 1 0 391.269 2.050 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cnc(Cl)c1Br ZINC000841225835 653711161 /nfs/dbraw/zinc/71/11/61/653711161.db2.gz FYOOVXMARWENCE-IUCAKERBSA-N 1 0 389.681 2.131 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000841232460 653711498 /nfs/dbraw/zinc/71/14/98/653711498.db2.gz SNSSYUAOFPVFHR-SECBINFHSA-N 1 0 389.681 2.023 20 0 GEADRO Cc1cnc(Br)c(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000841247937 653712234 /nfs/dbraw/zinc/71/22/34/653712234.db2.gz HIOAYKJJTXTTPK-GFCCVEGCSA-N 1 0 383.290 2.372 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000841251476 653712398 /nfs/dbraw/zinc/71/23/98/653712398.db2.gz MFLDDTFCLBQJAE-CHWSQXEVSA-N 1 0 395.301 2.021 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000841252440 653712402 /nfs/dbraw/zinc/71/24/02/653712402.db2.gz RBJCDCRMIGHVBV-GFCCVEGCSA-N 1 0 398.305 2.004 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841262604 653712779 /nfs/dbraw/zinc/71/27/79/653712779.db2.gz WKKRAPZUZSEPBJ-VIFPVBQESA-N 1 0 393.843 2.088 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C[C@H]1[NH3+] ZINC000841283184 653712967 /nfs/dbraw/zinc/71/29/67/653712967.db2.gz HYIBKYRLQBCHHJ-MEBBXXQBSA-N 1 0 376.254 2.346 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000841283427 653712973 /nfs/dbraw/zinc/71/29/73/653712973.db2.gz SFWUVGSRBXLHMG-AWEZNQCLSA-N 1 0 395.301 2.019 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NC[C@@H](O)c1ccccc1Br)C(F)(F)F ZINC000841335206 653713268 /nfs/dbraw/zinc/71/32/68/653713268.db2.gz ORCWRLICNLTQIX-MNOVXSKESA-N 1 0 384.196 2.061 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1c2c(ccc1Br)OCC2 ZINC000880799819 653713744 /nfs/dbraw/zinc/71/37/44/653713744.db2.gz WLQOLBQBDRRJSJ-LBPRGKRZSA-N 1 0 398.301 2.352 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1c2c(ccc1Br)OCC2 ZINC000880801009 653714088 /nfs/dbraw/zinc/71/40/88/653714088.db2.gz FGZNNFCKAJHBDZ-VXGBXAGGSA-N 1 0 396.285 2.369 20 0 GEADRO CS[C@@H]1CN(C(=O)/C(=C/c2cccs2)NC(C)=O)C[C@H]1[NH+]1CCCC1 ZINC000817559881 653714291 /nfs/dbraw/zinc/71/42/91/653714291.db2.gz FASGZGCFDBWFLN-FAQRCVTKSA-N 1 0 379.551 2.263 20 0 GEADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C2SCCCS2)c1 ZINC000841389096 653714827 /nfs/dbraw/zinc/71/48/27/653714827.db2.gz MKRJQPDVDCPNQW-UHFFFAOYSA-N 1 0 384.567 2.456 20 0 GEADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2cccc(Br)c2)CC1 ZINC000863549582 653715339 /nfs/dbraw/zinc/71/53/39/653715339.db2.gz MSDIZBUSKPGKNX-CVEARBPZSA-N 1 0 380.286 2.206 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccn2c(I)cnc12 ZINC000817676795 653717114 /nfs/dbraw/zinc/71/71/14/653717114.db2.gz KPPHKFUTZMWJGP-NSHDSACASA-N 1 0 398.248 2.105 20 0 GEADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000863763515 653719711 /nfs/dbraw/zinc/71/97/11/653719711.db2.gz DWGIEBJVTATWAM-QWRGUYRKSA-N 1 0 376.284 2.025 20 0 GEADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000863767908 653720017 /nfs/dbraw/zinc/72/00/17/653720017.db2.gz WXAMAKVNEOKEFA-HZMBPMFUSA-N 1 0 386.265 2.057 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccnc1I ZINC000863942244 653722484 /nfs/dbraw/zinc/72/24/84/653722484.db2.gz OWBUITFZBWGXQD-GFCCVEGCSA-N 1 0 385.249 2.433 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000817993336 653723254 /nfs/dbraw/zinc/72/32/54/653723254.db2.gz GELPCGUMVOIURE-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881269677 653723668 /nfs/dbraw/zinc/72/36/68/653723668.db2.gz JMBYRXNUHVDWRQ-SECBINFHSA-N 1 0 385.262 2.242 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000818005512 653723723 /nfs/dbraw/zinc/72/37/23/653723723.db2.gz PJZRESMCBLMFHW-MRXNPFEDSA-N 1 0 387.933 2.178 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000818015752 653723856 /nfs/dbraw/zinc/72/38/56/653723856.db2.gz DDKTXARSKOBXCE-AEFFLSMTSA-N 1 0 394.313 2.371 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3sc(N4CCCC4)nc3Cl)[C@H]2C1 ZINC000818038573 653724243 /nfs/dbraw/zinc/72/42/43/653724243.db2.gz GISMZPDPJGEWKR-QWHCGFSZSA-N 1 0 384.933 2.332 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)C(C)C)c(F)cc1Cl ZINC000841514229 653724511 /nfs/dbraw/zinc/72/45/11/653724511.db2.gz BMOHIHATFAPHEP-UHFFFAOYSA-N 1 0 380.869 2.274 20 0 GEADRO Cn1cc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c(I)n1 ZINC000864051935 653724837 /nfs/dbraw/zinc/72/48/37/653724837.db2.gz WKCKPUWMQBAAIM-CHWSQXEVSA-N 1 0 375.254 2.462 20 0 GEADRO COC[C@@H]([NH3+])Cc1cn(Cc2ccc(OC)c(SC(F)(F)F)c2)nn1 ZINC000881313210 653726845 /nfs/dbraw/zinc/72/68/45/653726845.db2.gz DIEVTSKVIRSRQB-NSHDSACASA-N 1 0 376.404 2.463 20 0 GEADRO COC(=O)c1ccc(Br)cc1Cn1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000881338618 653727528 /nfs/dbraw/zinc/72/75/28/653727528.db2.gz AQLNBTNNPACZIW-GJZGRUSLSA-N 1 0 395.257 2.054 20 0 GEADRO CCn1nc(C)c(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000881378219 653729106 /nfs/dbraw/zinc/72/91/06/653729106.db2.gz JFCCODFHQSPARQ-HNNXBMFYSA-N 1 0 376.262 2.057 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)Oc1cccc(I)c1 ZINC000786945210 653731806 /nfs/dbraw/zinc/73/18/06/653731806.db2.gz YAKODIZASWTEHF-UHFFFAOYSA-N 1 0 383.251 2.342 20 0 GEADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ncc(Br)cn1 ZINC000786993969 653732649 /nfs/dbraw/zinc/73/26/49/653732649.db2.gz DCKXUYLEUKRGQM-UHFFFAOYSA-N 1 0 376.258 2.029 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000841556452 653732898 /nfs/dbraw/zinc/73/28/98/653732898.db2.gz PCYVTPBVHBJUHN-OAHLLOKOSA-N 1 0 393.347 2.086 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000818563138 653733603 /nfs/dbraw/zinc/73/36/03/653733603.db2.gz CVXFSJRUPQRNDL-OLZOCXBDSA-N 1 0 387.933 2.178 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000818563469 653733656 /nfs/dbraw/zinc/73/36/56/653733656.db2.gz MQELHMZBXZNGJY-VXGBXAGGSA-N 1 0 387.933 2.226 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000818594027 653734251 /nfs/dbraw/zinc/73/42/51/653734251.db2.gz ZVYJXSKOPLQPCE-KRWDZBQOSA-N 1 0 387.933 2.180 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(Br)c[nH]c2=O)CCN1c1cc[nH+]cc1 ZINC000881630373 653734295 /nfs/dbraw/zinc/73/42/95/653734295.db2.gz OVXPGKQVMGBWQP-NSHDSACASA-N 1 0 377.242 2.296 20 0 GEADRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000818591726 653734285 /nfs/dbraw/zinc/73/42/85/653734285.db2.gz WCZVJWOHHDODGA-HNNXBMFYSA-N 1 0 376.400 2.196 20 0 GEADRO Brc1nnc2ccc(NCC3([NH+]4CCOCC4)CCCCC3)nn12 ZINC000881751814 653737368 /nfs/dbraw/zinc/73/73/68/653737368.db2.gz QWGIPGRWJYDXMQ-UHFFFAOYSA-N 1 0 395.305 2.334 20 0 GEADRO CS(=O)(=O)NC1(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CCCCC1 ZINC000818946678 653738828 /nfs/dbraw/zinc/73/88/28/653738828.db2.gz SZGXJGVBAIRHHH-HNNXBMFYSA-N 1 0 378.897 2.354 20 0 GEADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000818948098 653739040 /nfs/dbraw/zinc/73/90/40/653739040.db2.gz NKDLWHFIQUTNCX-ZDUSSCGKSA-N 1 0 394.440 2.498 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccc(Cl)c1 ZINC000818952039 653739174 /nfs/dbraw/zinc/73/91/74/653739174.db2.gz WFHQQVRLOQARMK-OAHLLOKOSA-N 1 0 390.839 2.220 20 0 GEADRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000818954379 653739262 /nfs/dbraw/zinc/73/92/62/653739262.db2.gz RUNIXOKKNPWHQI-INIZCTEOSA-N 1 0 399.310 2.180 20 0 GEADRO CCS(=O)(=O)CC[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000818957434 653739464 /nfs/dbraw/zinc/73/94/64/653739464.db2.gz SAERVHZKYMKYDX-CZUORRHYSA-N 1 0 392.924 2.265 20 0 GEADRO O=C(CC[NH2+]C[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc(Br)cc1 ZINC000818986357 653740008 /nfs/dbraw/zinc/74/00/08/653740008.db2.gz MERCRELWHKFRMB-JKSUJKDBSA-N 1 0 382.302 2.231 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000818991135 653740170 /nfs/dbraw/zinc/74/01/70/653740170.db2.gz XFGNGSVAZKALTG-HNNXBMFYSA-N 1 0 380.432 2.000 20 0 GEADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000818997428 653740314 /nfs/dbraw/zinc/74/03/14/653740314.db2.gz AMQNMVDTMVHRDI-SJORKVTESA-N 1 0 398.345 2.015 20 0 GEADRO CON(C)C(=O)CC[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000818997598 653740401 /nfs/dbraw/zinc/74/04/01/653740401.db2.gz GTTBYKMCGWVVMK-UHFFFAOYSA-N 1 0 385.302 2.497 20 0 GEADRO C[NH+](C)CC1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000881816378 653741245 /nfs/dbraw/zinc/74/12/45/653741245.db2.gz FPUWFOHXWBLEPB-UHFFFAOYSA-N 1 0 397.239 2.346 20 0 GEADRO C[C@@](O)(C[NH2+]CCOC[C@H]1CCOC1)c1ccc(Br)cc1F ZINC000819047750 653741420 /nfs/dbraw/zinc/74/14/20/653741420.db2.gz ZHOYJYGYWNPNEF-BLLLJJGKSA-N 1 0 376.266 2.438 20 0 GEADRO CN1CCN(C)[C@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819050610 653741478 /nfs/dbraw/zinc/74/14/78/653741478.db2.gz UFJLGJSAOOVYLV-CJNGLKHVSA-N 1 0 390.753 2.145 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCN1CC(F)(F)F ZINC000819054848 653741611 /nfs/dbraw/zinc/74/16/11/653741611.db2.gz NIRDJDKKMKLQHV-NWDGAFQWSA-N 1 0 399.182 2.374 20 0 GEADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccccc2Br)CCN1CC(F)(F)F ZINC000819053040 653741644 /nfs/dbraw/zinc/74/16/44/653741644.db2.gz AHOJEDOFAUBXHI-NEPJUHHUSA-N 1 0 381.192 2.235 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000864588332 653741601 /nfs/dbraw/zinc/74/16/01/653741601.db2.gz XYLHSBBHCMDIQB-UHFFFAOYSA-N 1 0 388.737 2.399 20 0 GEADRO CC[NH+](CC)CC(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000787669810 653741851 /nfs/dbraw/zinc/74/18/51/653741851.db2.gz JBSFEWGFPGZSTA-UHFFFAOYSA-N 1 0 383.334 2.481 20 0 GEADRO C[C@](O)(C[NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000819056145 653741839 /nfs/dbraw/zinc/74/18/39/653741839.db2.gz ZYAHRCZKJZQZNL-RISCZKNCSA-N 1 0 396.734 2.477 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000864610357 653742130 /nfs/dbraw/zinc/74/21/30/653742130.db2.gz 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KVFPMLSQXWALHX-UHFFFAOYSA-N 1 0 382.935 2.457 20 0 GEADRO C[C@@H](CNC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)N1CC[NH+](C)CC1 ZINC000788661207 653762558 /nfs/dbraw/zinc/76/25/58/653762558.db2.gz JHWZEJAXNKIKCW-NSHDSACASA-N 1 0 378.826 2.048 20 0 GEADRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc3nnc(Br)n3n2)CC1 ZINC000882110275 653763091 /nfs/dbraw/zinc/76/30/91/653763091.db2.gz WMQWGUWLYZAAAE-CHWSQXEVSA-N 1 0 395.305 2.067 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@H](C[NH3+])C3)cc21 ZINC000842696034 653763433 /nfs/dbraw/zinc/76/34/33/653763433.db2.gz JUOFSYWXULTUAP-LLVKDONJSA-N 1 0 386.315 2.300 20 0 GEADRO Brc1nnc2ccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nn12 ZINC000882118790 653763601 /nfs/dbraw/zinc/76/36/01/653763601.db2.gz AQWSRTMSXZEVSS-DGCLKSJQSA-N 1 0 377.290 2.340 20 0 GEADRO [NH3+]CCc1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1 ZINC000842702292 653763792 /nfs/dbraw/zinc/76/37/92/653763792.db2.gz JNPPFCMNIONLFH-UHFFFAOYSA-N 1 0 378.881 2.449 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000842708261 653763882 /nfs/dbraw/zinc/76/38/82/653763882.db2.gz PTBOWRWZEMZUCX-UHFFFAOYSA-N 1 0 383.283 2.263 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NCCC[NH2+]C(C)C)ccc1Br ZINC000842707484 653763966 /nfs/dbraw/zinc/76/39/66/653763966.db2.gz HPUMZIJFMJZKEX-UHFFFAOYSA-N 1 0 377.304 2.318 20 0 GEADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cc(=O)[nH]cc1Br ZINC000819973635 653763990 /nfs/dbraw/zinc/76/39/90/653763990.db2.gz KASZVTVUKAKPPT-CYBMUJFWSA-N 1 0 392.253 2.369 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(Cl)cc1Cl ZINC000842719917 653764587 /nfs/dbraw/zinc/76/45/87/653764587.db2.gz ODTBZSQADLXSMQ-PRHODGIISA-N 1 0 381.281 2.138 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000842735778 653765283 /nfs/dbraw/zinc/76/52/83/653765283.db2.gz TXEZJDFCRDXSAO-JTQLQIEISA-N 1 0 383.857 2.020 20 0 GEADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000842738159 653765415 /nfs/dbraw/zinc/76/54/15/653765415.db2.gz XISJJSYTYXITRP-UHFFFAOYSA-N 1 0 379.404 2.078 20 0 GEADRO CCCn1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)nn1 ZINC000865439834 653765529 /nfs/dbraw/zinc/76/55/29/653765529.db2.gz FYKVRNYSRKZGFW-UHFFFAOYSA-N 1 0 380.290 2.360 20 0 GEADRO Cc1ccnc(CNCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1Br ZINC000865441917 653765541 /nfs/dbraw/zinc/76/55/41/653765541.db2.gz HMUMCPZGRQSPTI-OAHLLOKOSA-N 1 0 383.334 2.185 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(Br)cc1S(N)(=O)=O ZINC000865440647 653765555 /nfs/dbraw/zinc/76/55/55/653765555.db2.gz JCCOPCXFSZSEHA-NSHDSACASA-N 1 0 376.320 2.383 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000882147217 653765962 /nfs/dbraw/zinc/76/59/62/653765962.db2.gz KKKFOPGEFASJKL-GFCCVEGCSA-N 1 0 394.324 2.126 20 0 GEADRO C[C@@](O)(C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(F)cc1F ZINC000865464008 653766206 /nfs/dbraw/zinc/76/62/06/653766206.db2.gz GPMBHMBQBDGJDA-MRXNPFEDSA-N 1 0 390.839 2.263 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000842762387 653766270 /nfs/dbraw/zinc/76/62/70/653766270.db2.gz FJPMUDVWYIUICF-OAHLLOKOSA-N 1 0 387.299 2.026 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CC(C)(C)S(C)(=O)=O)CC(F)(F)F ZINC000865483983 653766623 /nfs/dbraw/zinc/76/66/23/653766623.db2.gz YONSLDHFHXRSHH-SNVBAGLBSA-N 1 0 376.441 2.245 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc(Br)c[nH]c1=O ZINC000820099897 653766602 /nfs/dbraw/zinc/76/66/02/653766602.db2.gz IYOAIMJAJZQVTO-ZSHCYNCHSA-N 1 0 388.265 2.410 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)ccc1Br ZINC000842774682 653766743 /nfs/dbraw/zinc/76/67/43/653766743.db2.gz GYZHTJUWOMVPDO-UHFFFAOYSA-N 1 0 375.288 2.154 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1Br ZINC000842788432 653767369 /nfs/dbraw/zinc/76/73/69/653767369.db2.gz HVSOXSSBAMQWJG-MWLCHTKSSA-N 1 0 375.288 2.010 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c1 ZINC000842797507 653768024 /nfs/dbraw/zinc/76/80/24/653768024.db2.gz LPJWJWXSCZPGLQ-UHFFFAOYSA-N 1 0 388.331 2.063 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)CC[C@H]1[NH3+] ZINC000842797871 653768030 /nfs/dbraw/zinc/76/80/30/653768030.db2.gz MJBHKWNULSXVSY-IAQYHMDHSA-N 1 0 389.315 2.400 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000842805040 653768752 /nfs/dbraw/zinc/76/87/52/653768752.db2.gz UJSKSJRVYRALIQ-LBPRGKRZSA-N 1 0 395.294 2.393 20 0 GEADRO OCc1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)nc1Br ZINC000865575677 653768792 /nfs/dbraw/zinc/76/87/92/653768792.db2.gz UFQKZRDGRGCMJA-UHFFFAOYSA-N 1 0 384.318 2.418 20 0 GEADRO COCCOC1(C[NH2+]Cc2cc(Br)cnc2OC)CCOCC1 ZINC000865584478 653769034 /nfs/dbraw/zinc/76/90/34/653769034.db2.gz UDHJDSMICRMPDE-UHFFFAOYSA-N 1 0 389.290 2.155 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000842814082 653769134 /nfs/dbraw/zinc/76/91/34/653769134.db2.gz DZWPFHFVLHZMJG-WCBMZHEXSA-N 1 0 381.267 2.016 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(Br)cc3S(N)(=O)=O)CC[C@@H]21 ZINC000865615668 653770263 /nfs/dbraw/zinc/77/02/63/653770263.db2.gz BYKFXDVEMVEINU-YPMHNXCESA-N 1 0 388.331 2.017 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCN(CC(C)(C)O)C3)cnc12 ZINC000865660412 653771181 /nfs/dbraw/zinc/77/11/81/653771181.db2.gz ZYAQYGKMXHYBIA-AWEZNQCLSA-N 1 0 381.318 2.340 20 0 GEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000842869469 653771172 /nfs/dbraw/zinc/77/11/72/653771172.db2.gz LCJPHOGVBSFXHN-JTQLQIEISA-N 1 0 393.303 2.032 20 0 GEADRO C[C@H]1CN(C(=O)C2(n3cc(Br)cn3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000820307720 653771849 /nfs/dbraw/zinc/77/18/49/653771849.db2.gz BQGBHJGDPXZDTD-CYBMUJFWSA-N 1 0 381.318 2.468 20 0 GEADRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000789343399 653771906 /nfs/dbraw/zinc/77/19/06/653771906.db2.gz XSYODJDXKSMRBJ-WBMJQRKESA-N 1 0 375.282 2.274 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc21 ZINC000842892514 653772306 /nfs/dbraw/zinc/77/23/06/653772306.db2.gz FYRSRSKXPWZXJX-KBPBESRZSA-N 1 0 382.913 2.479 20 0 GEADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842894806 653772565 /nfs/dbraw/zinc/77/25/65/653772565.db2.gz SHAZGEVCZUPGCO-QMMMGPOBSA-N 1 0 375.260 2.095 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000842893694 653772572 /nfs/dbraw/zinc/77/25/72/653772572.db2.gz YHGIQPUTLHDXGM-UHFFFAOYSA-N 1 0 381.267 2.099 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842916696 653773593 /nfs/dbraw/zinc/77/35/93/653773593.db2.gz ZHBCHGQXKFTJBH-SFYZADRCSA-N 1 0 395.710 2.154 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842916699 653773661 /nfs/dbraw/zinc/77/36/61/653773661.db2.gz ZHBCHGQXKFTJBH-YUMQZZPRSA-N 1 0 395.710 2.154 20 0 GEADRO Cn1nc(Br)cc1C[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000865766703 653774199 /nfs/dbraw/zinc/77/41/99/653774199.db2.gz QMHIMKCZOQAPRF-YEORSEQZSA-N 1 0 384.299 2.277 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000842930840 653774509 /nfs/dbraw/zinc/77/45/09/653774509.db2.gz WOYHKKSSNYYRMJ-QCEMKRCNSA-N 1 0 386.539 2.251 20 0 GEADRO CC(C)n1ncc(C(=O)NCCCC[NH+](C)C)c1I ZINC000865794179 653775258 /nfs/dbraw/zinc/77/52/58/653775258.db2.gz MZDIBSXQNWEEEY-UHFFFAOYSA-N 1 0 378.258 2.140 20 0 GEADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cnn(C(C)C)c1I ZINC000865799171 653775430 /nfs/dbraw/zinc/77/54/30/653775430.db2.gz KDYZFLVLMTVGCR-GFCCVEGCSA-N 1 0 392.285 2.385 20 0 GEADRO C[C@@H](CNC(=O)c1nc(Br)sc1Cl)C[NH+]1CCN(C)CC1 ZINC000865802775 653775597 /nfs/dbraw/zinc/77/55/97/653775597.db2.gz OAIXEMBLXLWMFM-VIFPVBQESA-N 1 0 395.754 2.172 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000865818171 653776021 /nfs/dbraw/zinc/77/60/21/653776021.db2.gz OHHXZLHRRJIJJK-UHFFFAOYSA-N 1 0 379.429 2.402 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(O)ccc2Br)cc1 ZINC000865818956 653776154 /nfs/dbraw/zinc/77/61/54/653776154.db2.gz ZRFIBWSYIPFRPV-UHFFFAOYSA-N 1 0 399.310 2.395 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(Cl)n(C)nc2C(C)C)cc1 ZINC000865819591 653776255 /nfs/dbraw/zinc/77/62/55/653776255.db2.gz XEHUUFHGTRBTOR-UHFFFAOYSA-N 1 0 384.933 2.437 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000820559169 653776984 /nfs/dbraw/zinc/77/69/84/653776984.db2.gz UHFZXPBAUFGBBX-SCDSUCTJSA-N 1 0 380.286 2.426 20 0 GEADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc4nc(Cl)cnc4c3)C2)CC1 ZINC000882347010 653777232 /nfs/dbraw/zinc/77/72/32/653777232.db2.gz YJKVCMYUDITUCN-UHFFFAOYSA-N 1 0 380.901 2.390 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000865867221 653777856 /nfs/dbraw/zinc/77/78/56/653777856.db2.gz GULPKNZPZLGJFO-LBPRGKRZSA-N 1 0 382.249 2.457 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000865868971 653778254 /nfs/dbraw/zinc/77/82/54/653778254.db2.gz RXOHXHNSFJYFRQ-GFCCVEGCSA-N 1 0 382.249 2.393 20 0 GEADRO CC(C)COC[C@@H](O)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000843069842 653778471 /nfs/dbraw/zinc/77/84/71/653778471.db2.gz SVFGOHILVLCANL-BBRMVZONSA-N 1 0 378.282 2.419 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2nc(Br)sc2Cl)CCOCC1 ZINC000865875989 653778517 /nfs/dbraw/zinc/77/85/17/653778517.db2.gz IDFOOKZHIPLBOE-UHFFFAOYSA-N 1 0 382.711 2.400 20 0 GEADRO CCOC(=O)C[C@@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000843076985 653778689 /nfs/dbraw/zinc/77/86/89/653778689.db2.gz ODYHZGRONCQRPP-NHYWBVRUSA-N 1 0 394.693 2.214 20 0 GEADRO C[C@](O)(C[NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Br)cc1F ZINC000843083677 653778713 /nfs/dbraw/zinc/77/87/13/653778713.db2.gz RKGKXUVVGFBHFP-CVEARBPZSA-N 1 0 376.266 2.173 20 0 GEADRO Cn1cc([C@H](O)C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)cn1 ZINC000843091144 653778979 /nfs/dbraw/zinc/77/89/79/653778979.db2.gz GSIZKKCYATXWNK-HUUCEWRRSA-N 1 0 388.693 2.367 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000865896265 653779185 /nfs/dbraw/zinc/77/91/85/653779185.db2.gz DOVDSWYXWNCKGV-INIZCTEOSA-N 1 0 384.307 2.415 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)Cc1ccccc1Br ZINC000843109106 653779417 /nfs/dbraw/zinc/77/94/17/653779417.db2.gz DLCZEWHVRPPAJK-PXAZEXFGSA-N 1 0 383.261 2.457 20 0 GEADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843103515 653779444 /nfs/dbraw/zinc/77/94/44/653779444.db2.gz AUMKZQRRAZTYRC-BYCMXARLSA-N 1 0 378.282 2.369 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)Cc1ccc(Br)cc1 ZINC000843109874 653779711 /nfs/dbraw/zinc/77/97/11/653779711.db2.gz HVCRACUVWXRTMH-SUMWQHHRSA-N 1 0 383.261 2.457 20 0 GEADRO C[C@](O)(C[NH2+][C@@H](CO)CN1CCCC1)c1ccc(Br)cc1Cl ZINC000843117907 653780028 /nfs/dbraw/zinc/78/00/28/653780028.db2.gz VEFOWJINYWHXDB-CJNGLKHVSA-N 1 0 391.737 2.356 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1nc2ccc(Br)cc2s1 ZINC000843122827 653780229 /nfs/dbraw/zinc/78/02/29/653780229.db2.gz FKBSTTGYCZPRLI-GFCCVEGCSA-N 1 0 384.299 2.396 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1cc(Br)c2nccnc2c1 ZINC000820715848 653780906 /nfs/dbraw/zinc/78/09/06/653780906.db2.gz PLASOKAQOFPKHJ-UHFFFAOYSA-N 1 0 389.257 2.403 20 0 GEADRO Cn1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccc(Cl)s2)n1 ZINC000789750706 653780952 /nfs/dbraw/zinc/78/09/52/653780952.db2.gz CREFRVFNLLXZBS-RYUDHWBXSA-N 1 0 380.901 2.395 20 0 GEADRO COc1ccc(Cc2noc([C@@H]3C[NH2+]CCO3)n2)c(Br)c1OC ZINC000843202223 653781173 /nfs/dbraw/zinc/78/11/73/653781173.db2.gz BXJPRIGDLAMLOB-NSHDSACASA-N 1 0 384.230 2.101 20 0 GEADRO F[C@@]1(c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)CC[NH2+]C1 ZINC000843203680 653781353 /nfs/dbraw/zinc/78/13/53/653781353.db2.gz WBGDNTIDHSFYKE-HNNXBMFYSA-N 1 0 384.205 2.352 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000882432473 653781547 /nfs/dbraw/zinc/78/15/47/653781547.db2.gz SSZDDNUHUIFIIE-NWDGAFQWSA-N 1 0 382.452 2.180 20 0 GEADRO Brc1ccc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)nc1 ZINC000843212165 653781531 /nfs/dbraw/zinc/78/15/31/653781531.db2.gz OQIZQCCGUSAWMT-UHFFFAOYSA-N 1 0 376.218 2.077 20 0 GEADRO COc1cc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)cc(Br)c1O ZINC000843220601 653781768 /nfs/dbraw/zinc/78/17/68/653781768.db2.gz SPQNGLPHTYAMDG-SECBINFHSA-N 1 0 386.271 2.461 20 0 GEADRO [NH3+]CCOCc1nc(C2(c3cccc(Br)c3)CCOCC2)no1 ZINC000843219858 653781792 /nfs/dbraw/zinc/78/17/92/653781792.db2.gz IEEJEUJMWGGDSG-UHFFFAOYSA-N 1 0 382.258 2.404 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000882485475 653784568 /nfs/dbraw/zinc/78/45/68/653784568.db2.gz IXAFXFICDDQBGJ-JKSUJKDBSA-N 1 0 394.313 2.264 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c(Cl)n1 ZINC000790025260 653784743 /nfs/dbraw/zinc/78/47/43/653784743.db2.gz AWQHYYFHKZTOFJ-UHFFFAOYSA-N 1 0 379.913 2.421 20 0 GEADRO C[NH+]1CCC2(CC1)CN(Cc1nc3ccccn3c1Br)CCO2 ZINC000843431381 653786701 /nfs/dbraw/zinc/78/67/01/653786701.db2.gz DRYLYGRRNLJNBV-UHFFFAOYSA-N 1 0 379.302 2.393 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc(Cl)n1 ZINC000843437920 653787021 /nfs/dbraw/zinc/78/70/21/653787021.db2.gz AXWXMNMSBWAWGD-QLFBSQMISA-N 1 0 385.917 2.002 20 0 GEADRO Cc1oc(Br)cc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000820962202 653787637 /nfs/dbraw/zinc/78/76/37/653787637.db2.gz XGFSAHZTRRFYLW-UHFFFAOYSA-N 1 0 387.274 2.496 20 0 GEADRO O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000843473618 653787715 /nfs/dbraw/zinc/78/77/15/653787715.db2.gz IOZPVJJRPBWZQJ-KRWDZBQOSA-N 1 0 382.913 2.248 20 0 GEADRO O=C(/C=C/c1ccc(I)o1)N[C@H]1C[NH2+]CCC1(F)F ZINC000843485828 653788159 /nfs/dbraw/zinc/78/81/59/653788159.db2.gz XSOGTSQENVCROD-LXOKAJLYSA-N 1 0 382.148 2.011 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(I)cc2O)C1 ZINC000866193428 653788430 /nfs/dbraw/zinc/78/84/30/653788430.db2.gz MDGORQSSFRXARH-NSHDSACASA-N 1 0 388.249 2.411 20 0 GEADRO [NH3+]CCCCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000843505784 653788643 /nfs/dbraw/zinc/78/86/43/653788643.db2.gz MVSHMRVFUDCYJF-UHFFFAOYSA-N 1 0 387.571 2.101 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000843506331 653788733 /nfs/dbraw/zinc/78/87/33/653788733.db2.gz BSVPABZVYRNCEJ-QGZVFWFLSA-N 1 0 378.881 2.442 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000843504475 653788735 /nfs/dbraw/zinc/78/87/35/653788735.db2.gz AKHQTJMYUPRDGA-QWRGUYRKSA-N 1 0 375.922 2.272 20 0 GEADRO COc1ccc(Br)cc1C1(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000843509458 653788839 /nfs/dbraw/zinc/78/88/39/653788839.db2.gz XYXMIQPQEHTMME-UHFFFAOYSA-N 1 0 391.269 2.246 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH2+]C2CC2)c1 ZINC000843513504 653789064 /nfs/dbraw/zinc/78/90/64/653789064.db2.gz GMAIVNTVDQFMTJ-UHFFFAOYSA-N 1 0 387.933 2.289 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cnc1C1CC1 ZINC000821052478 653789600 /nfs/dbraw/zinc/78/96/00/653789600.db2.gz MRUCSSZFTCCHOZ-AWEZNQCLSA-N 1 0 382.302 2.298 20 0 GEADRO C[NH+](C)CCCNC(=S)N(CCO)Cc1ccc(Br)s1 ZINC000790357668 653790011 /nfs/dbraw/zinc/79/00/11/653790011.db2.gz ZGKONUVXGOFGCE-UHFFFAOYSA-N 1 0 380.377 2.131 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Br)cn3ccnc23)CCSC1 ZINC000866333137 653790980 /nfs/dbraw/zinc/79/09/80/653790980.db2.gz FYGYIZZNUHKLNW-OAHLLOKOSA-N 1 0 383.315 2.264 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866356190 653791297 /nfs/dbraw/zinc/79/12/97/653791297.db2.gz JZRXJNAIKIGEEH-NWDGAFQWSA-N 1 0 386.905 2.403 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000843778740 653793703 /nfs/dbraw/zinc/79/37/03/653793703.db2.gz KPBHKXLLLUBZMA-GHMZBOCLSA-N 1 0 387.249 2.190 20 0 GEADRO COC(=O)[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(Br)c1 ZINC000843795064 653794291 /nfs/dbraw/zinc/79/42/91/653794291.db2.gz SUMVNIWKCSEBJK-ZLENFMNRSA-N 1 0 383.286 2.294 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2ccc(Br)cc2C1 ZINC000790709290 653796057 /nfs/dbraw/zinc/79/60/57/653796057.db2.gz NUSSOEIAUGWSMF-SJORKVTESA-N 1 0 394.313 2.380 20 0 GEADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)N=[S@](C)(=O)c2ccccc2)c1 ZINC000866475774 653797708 /nfs/dbraw/zinc/79/77/08/653797708.db2.gz GZUDOSSBLGSLCD-XMMPIXPASA-N 1 0 381.523 2.240 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@@H]3CCc4c3ccc(F)c4Br)COCCN12 ZINC000866522224 653800447 /nfs/dbraw/zinc/80/04/47/653800447.db2.gz UEKXPZJRGGERHK-CJNGLKHVSA-N 1 0 385.233 2.386 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@H]3CCCOc4ccc(Br)cc43)COCCN12 ZINC000866523938 653800569 /nfs/dbraw/zinc/80/05/69/653800569.db2.gz HGTQKHDTIGWVLS-WMLDXEAASA-N 1 0 397.269 2.474 20 0 GEADRO Ic1cccnc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882725835 653800612 /nfs/dbraw/zinc/80/06/12/653800612.db2.gz CDNMFZWQRUPRGB-ZDUSSCGKSA-N 1 0 387.265 2.424 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@H]3CCCOc4cc(Br)ccc43)COCCN12 ZINC000866523699 653800710 /nfs/dbraw/zinc/80/07/10/653800710.db2.gz FYTFFHBHGFVXBH-YOEHRIQHSA-N 1 0 397.269 2.474 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)c(Br)c1 ZINC000866525560 653800825 /nfs/dbraw/zinc/80/08/25/653800825.db2.gz SAMXVNITJZMOCV-ZBEGNZNMSA-N 1 0 385.258 2.330 20 0 GEADRO C[NH+](C)CC1(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000882736384 653801881 /nfs/dbraw/zinc/80/18/81/653801881.db2.gz JPBUQVBHVQQSQM-AWEZNQCLSA-N 1 0 380.286 2.160 20 0 GEADRO CC(C)(C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)CS(N)(=O)=O ZINC000866570926 653802677 /nfs/dbraw/zinc/80/26/77/653802677.db2.gz RZTFHRCVNCSQHH-CQSZACIVSA-N 1 0 375.332 2.211 20 0 GEADRO [NH3+]CC1(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CCCC1 ZINC000844164090 653802751 /nfs/dbraw/zinc/80/27/51/653802751.db2.gz AHIRFRJVVRBWPB-UHFFFAOYSA-N 1 0 378.523 2.316 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000844176613 653802875 /nfs/dbraw/zinc/80/28/75/653802875.db2.gz VMUKBJPGHOLYMZ-YOEHRIQHSA-N 1 0 396.329 2.160 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)[C@H]1C ZINC000844196224 653803023 /nfs/dbraw/zinc/80/30/23/653803023.db2.gz CEWMOJFVWMTFAD-NEPJUHHUSA-N 1 0 378.523 2.137 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844199324 653803292 /nfs/dbraw/zinc/80/32/92/653803292.db2.gz YMLWVNGZGZPJBM-CYBMUJFWSA-N 1 0 378.523 2.185 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866582889 653804109 /nfs/dbraw/zinc/80/41/09/653804109.db2.gz NXPBDMVUMASGFQ-NSHDSACASA-N 1 0 382.452 2.228 20 0 GEADRO OCC1([NH2+]CC2CC2)CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000844333801 653805096 /nfs/dbraw/zinc/80/50/96/653805096.db2.gz BGGIEWLYCIIDLC-KRWDZBQOSA-N 1 0 383.330 2.309 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)C[C@H]21 ZINC000821753463 653805258 /nfs/dbraw/zinc/80/52/58/653805258.db2.gz IDGRMASYDZHXRD-NHAGDIPZSA-N 1 0 377.238 2.188 20 0 GEADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000882767317 653805809 /nfs/dbraw/zinc/80/58/09/653805809.db2.gz JMBASVIHUPNEJC-XMMPIXPASA-N 1 0 389.518 2.087 20 0 GEADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2ccnc(Cl)c2c1 ZINC000866674607 653809706 /nfs/dbraw/zinc/80/97/06/653809706.db2.gz BCXDCLCZPBEBFC-ZIAGYGMSSA-N 1 0 381.885 2.030 20 0 GEADRO Cc1nc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)ccc1Br ZINC000882814206 653811008 /nfs/dbraw/zinc/81/10/08/653811008.db2.gz GCNDCMMMONACAL-UHFFFAOYSA-N 1 0 381.318 2.463 20 0 GEADRO Cc1c(Cl)c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)sc1S(N)(=O)=O ZINC000791366033 653811103 /nfs/dbraw/zinc/81/11/03/653811103.db2.gz FRHVHXDURCGWGE-SNVBAGLBSA-N 1 0 395.978 2.454 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)ccc1Br ZINC000894988945 653811336 /nfs/dbraw/zinc/81/13/36/653811336.db2.gz NZTLVHHWZWXTOI-NWDGAFQWSA-N 1 0 389.315 2.109 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844656068 653811903 /nfs/dbraw/zinc/81/19/03/653811903.db2.gz HSFHFWPXCZHLDI-UHFFFAOYSA-N 1 0 376.469 2.320 20 0 GEADRO CN(Cc1c(I)cnn1C)C(C)(C)C[NH+]1CCCC1 ZINC000895025157 653813258 /nfs/dbraw/zinc/81/32/58/653813258.db2.gz NZXJTGIMMDNBQN-UHFFFAOYSA-N 1 0 376.286 2.331 20 0 GEADRO Cn1nc(Br)nc1C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000895046927 653814212 /nfs/dbraw/zinc/81/42/12/653814212.db2.gz YWCDCZPBVAXPMD-UWVGGRQHSA-N 1 0 388.310 2.359 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844707059 653815198 /nfs/dbraw/zinc/81/51/98/653815198.db2.gz HQAQEZPUOPRKFB-CQSZACIVSA-N 1 0 392.297 2.042 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(I)n1 ZINC000895073320 653815742 /nfs/dbraw/zinc/81/57/42/653815742.db2.gz GYVQSQYTTCCXLU-DGCLKSJQSA-N 1 0 375.254 2.416 20 0 GEADRO Cc1cccc2nc(CC[NH2+]Cc3cn(C)nc3I)cn21 ZINC000895088828 653816803 /nfs/dbraw/zinc/81/68/03/653816803.db2.gz PCNRQGKEWZLEQC-UHFFFAOYSA-N 1 0 395.248 2.313 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1ccc2onc(Cl)c2c1 ZINC000866735048 653816907 /nfs/dbraw/zinc/81/69/07/653816907.db2.gz LJQJQZGLTCBXSM-UHFFFAOYSA-N 1 0 380.857 2.334 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cnc(Br)c(C)c2)CC1 ZINC000822046314 653817097 /nfs/dbraw/zinc/81/70/97/653817097.db2.gz FCRNVROVNPBCGW-UHFFFAOYSA-N 1 0 383.334 2.298 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000866738907 653817435 /nfs/dbraw/zinc/81/74/35/653817435.db2.gz ZYDKEPWJCOADNP-LLVKDONJSA-N 1 0 391.331 2.347 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000866739597 653817495 /nfs/dbraw/zinc/81/74/95/653817495.db2.gz GUCXRTCDEROBMB-RYUDHWBXSA-N 1 0 391.331 2.347 20 0 GEADRO C[C@@]1(CS(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1(Cl)Cl ZINC000866740529 653817784 /nfs/dbraw/zinc/81/77/84/653817784.db2.gz SRGUJGSDFUYVDT-ZDUSSCGKSA-N 1 0 385.357 2.135 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC1 ZINC000866742977 653818153 /nfs/dbraw/zinc/81/81/53/653818153.db2.gz VPOCJYNPGBTGGW-UHFFFAOYSA-N 1 0 383.901 2.407 20 0 GEADRO CC(C)[C@H]([NH2+]Cc1cnc(Cl)s1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791624120 653819551 /nfs/dbraw/zinc/81/95/51/653819551.db2.gz LEADENMADHLLSB-AWEZNQCLSA-N 1 0 382.921 2.107 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)C1N=NC(=O)N1C ZINC000895178925 653821862 /nfs/dbraw/zinc/82/18/62/653821862.db2.gz ZASLTTHALKRGEQ-NXEZZACHSA-N 1 0 382.262 2.351 20 0 GEADRO C[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895185029 653821882 /nfs/dbraw/zinc/82/18/82/653821882.db2.gz ZKQCMPYABCYENO-MCIONIFRSA-N 1 0 388.965 2.220 20 0 GEADRO O=C([C@@H]1CSCCS1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000844850567 653822799 /nfs/dbraw/zinc/82/27/99/653822799.db2.gz UTLIARGKMMNMCP-KSZLIROESA-N 1 0 378.563 2.337 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCc1noc2ccccc21 ZINC000895227367 653823453 /nfs/dbraw/zinc/82/34/53/653823453.db2.gz XIRAEXMWMWURQX-UHFFFAOYSA-N 1 0 382.205 2.498 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000866775674 653823922 /nfs/dbraw/zinc/82/39/22/653823922.db2.gz LJESCYYTFGCZKF-UPJWGTAASA-N 1 0 394.324 2.438 20 0 GEADRO C[NH+]1CCC(NC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000883057864 653824170 /nfs/dbraw/zinc/82/41/70/653824170.db2.gz AAJKNRFGIYWMII-HNNXBMFYSA-N 1 0 395.301 2.096 20 0 GEADRO C[NH+](C)CCCOC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000791811263 653824958 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Cn1nc(Br)cc1C[NH2+]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895508269 653838805 /nfs/dbraw/zinc/83/88/05/653838805.db2.gz QEENZSJWYAFASW-CQSZACIVSA-N 1 0 391.269 2.400 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883423081 653839415 /nfs/dbraw/zinc/83/94/15/653839415.db2.gz BRVOLPTUVKQHIK-XBFCOCLRSA-N 1 0 385.281 2.195 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2nc(Br)ccc2F)CC1 ZINC000792335427 653840061 /nfs/dbraw/zinc/84/00/61/653840061.db2.gz KUUOXYFEUYWWJE-UHFFFAOYSA-N 1 0 387.297 2.129 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN(CC[NH3+])CC(F)(F)F ZINC000883445015 653840138 /nfs/dbraw/zinc/84/01/38/653840138.db2.gz CAISMZPZNIKEPI-UHFFFAOYSA-N 1 0 388.253 2.292 20 0 GEADRO [NH3+]CCN(CCS(=O)(=O)c1cccc(Br)c1)CC(F)(F)F ZINC000883445288 653840144 /nfs/dbraw/zinc/84/01/44/653840144.db2.gz RQGNGSOCYAXCOE-UHFFFAOYSA-N 1 0 389.237 2.046 20 0 GEADRO C[C@H](NC(=O)CN(CC[NH3+])CC(F)(F)F)c1ccc(Br)cc1 ZINC000883446184 653840352 /nfs/dbraw/zinc/84/03/52/653840352.db2.gz 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ZINC000883476395 653842035 /nfs/dbraw/zinc/84/20/35/653842035.db2.gz FRNPABCIWKAXHV-UHFFFAOYSA-N 1 0 376.425 2.034 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)Cc1ccc(F)cc1Cl)C2 ZINC000883480494 653842417 /nfs/dbraw/zinc/84/24/17/653842417.db2.gz DZLWGTRMPLIJLH-UHFFFAOYSA-N 1 0 375.878 2.282 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(F)c(C(F)F)c1)C2 ZINC000883480800 653842470 /nfs/dbraw/zinc/84/24/70/653842470.db2.gz NAWQJHMRPBHEQN-UHFFFAOYSA-N 1 0 377.413 2.426 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1csc(-c3ccccc3)n1)C2 ZINC000883481531 653842783 /nfs/dbraw/zinc/84/27/83/653842783.db2.gz PCZOTAXKQFIBBE-UHFFFAOYSA-N 1 0 392.531 2.472 20 0 GEADRO O=C(N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C1(Br)CC1 ZINC000822870875 653843970 /nfs/dbraw/zinc/84/39/70/653843970.db2.gz HOPHAGCWMZGPHQ-KRWDZBQOSA-N 1 0 392.341 2.333 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000895629208 653844063 /nfs/dbraw/zinc/84/40/63/653844063.db2.gz IPZKNKCCPNAZEV-UHFFFAOYSA-N 1 0 388.253 2.023 20 0 GEADRO CO[C@@H](c1noc(C2(S(C)(=O)=O)CC[NH2+]CC2)n1)c1ccccc1Cl ZINC000822886232 653844762 /nfs/dbraw/zinc/84/47/62/653844762.db2.gz CLUYXDWPQHKMAV-CYBMUJFWSA-N 1 0 385.873 2.082 20 0 GEADRO O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883567001 653845769 /nfs/dbraw/zinc/84/57/69/653845769.db2.gz MVEQCPFFIHBNRZ-BRWVUGGUSA-N 1 0 385.599 2.309 20 0 GEADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000895684202 653845985 /nfs/dbraw/zinc/84/59/85/653845985.db2.gz BFQFNJXBYPMGJL-GAKIBJFNSA-N 1 0 375.494 2.096 20 0 GEADRO O=c1[nH]c(Cc2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)nc2ccc(Br)cc12 ZINC000822920356 653846181 /nfs/dbraw/zinc/84/61/81/653846181.db2.gz SOTICPSXYQBYGZ-HFKOZYHYSA-N 1 0 388.225 2.495 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592366 653846420 /nfs/dbraw/zinc/84/64/20/653846420.db2.gz GFKMCSBXWWZLDM-UHFFFAOYSA-N 1 0 385.262 2.229 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000895697336 653846585 /nfs/dbraw/zinc/84/65/85/653846585.db2.gz OIQPRYYKDQKJNT-MEDUHNTESA-N 1 0 393.281 2.131 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C[NH2+]1 ZINC000883593595 653847104 /nfs/dbraw/zinc/84/71/04/653847104.db2.gz MZLZIYSBLTUITF-SCZZXKLOSA-N 1 0 383.246 2.042 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866907433 653847673 /nfs/dbraw/zinc/84/76/73/653847673.db2.gz DLFRJHRAULUWSV-UHFFFAOYSA-N 1 0 379.885 2.042 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000883628254 653848437 /nfs/dbraw/zinc/84/84/37/653848437.db2.gz HEHXJKHRICVTJU-UHFFFAOYSA-N 1 0 384.274 2.126 20 0 GEADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000895770083 653849652 /nfs/dbraw/zinc/84/96/52/653849652.db2.gz DDXCKFBFINNYMA-INIZCTEOSA-N 1 0 390.281 2.382 20 0 GEADRO COc1nc(-c2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)ncc1Br ZINC000823016352 653850311 /nfs/dbraw/zinc/85/03/11/653850311.db2.gz STHFSSWGMOXUJI-VHSXEESVSA-N 1 0 380.246 2.401 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000823017204 653850349 /nfs/dbraw/zinc/85/03/49/653850349.db2.gz GEBPFOIBZIUWND-LBPRGKRZSA-N 1 0 375.922 2.379 20 0 GEADRO O=C1NCCN1CC[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC000895815259 653851428 /nfs/dbraw/zinc/85/14/28/653851428.db2.gz ZEJZXJNPJKILFF-UHFFFAOYSA-N 1 0 393.079 2.032 20 0 GEADRO CN1CC[C@H]([NH2+]CCN2CCNC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000895814587 653851466 /nfs/dbraw/zinc/85/14/66/653851466.db2.gz QAAYSQBXGKGWPQ-HOTGVXAUSA-N 1 0 381.318 2.199 20 0 GEADRO CC[NH+]1CCC(CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000895858590 653853105 /nfs/dbraw/zinc/85/31/05/653853105.db2.gz PPXRLEOIWXPGDG-INIZCTEOSA-N 1 0 395.297 2.379 20 0 GEADRO Ic1cnc2ccc(-c3noc([C@@H]4CCC[NH2+]C4)n3)cn12 ZINC000823114383 653854189 /nfs/dbraw/zinc/85/41/89/653854189.db2.gz ATSQETCEYYOCIE-SECBINFHSA-N 1 0 395.204 2.456 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000895875343 653854322 /nfs/dbraw/zinc/85/43/22/653854322.db2.gz MFUDXERMFYQIKI-DLBZAZTESA-N 1 0 395.297 2.070 20 0 GEADRO C[C@]12CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C2(Cl)Cl ZINC000792902165 653855169 /nfs/dbraw/zinc/85/51/69/653855169.db2.gz HESMRMIAOWIWQU-KCJUWKMLSA-N 1 0 376.206 2.280 20 0 GEADRO CNC(=O)C1([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCOCC1 ZINC000895883845 653855372 /nfs/dbraw/zinc/85/53/72/653855372.db2.gz FDZDURHNQFUKBA-UHFFFAOYSA-N 1 0 393.228 2.435 20 0 GEADRO COCCS(=O)(=O)CCC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000792932075 653856186 /nfs/dbraw/zinc/85/61/86/653856186.db2.gz CLBDBDGUXVMZBY-HNNXBMFYSA-N 1 0 391.331 2.336 20 0 GEADRO CN(CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000823210365 653857923 /nfs/dbraw/zinc/85/79/23/653857923.db2.gz QWHZMIKVCGVQMT-GFCCVEGCSA-N 1 0 380.341 2.286 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000792970067 653858208 /nfs/dbraw/zinc/85/82/08/653858208.db2.gz SGXQMUOAQFBAPZ-UHFFFAOYSA-N 1 0 383.290 2.115 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)n2)C1 ZINC000792996065 653859850 /nfs/dbraw/zinc/85/98/50/653859850.db2.gz JWXKWKSHUCIFEG-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc1Br ZINC000792995229 653859853 /nfs/dbraw/zinc/85/98/53/653859853.db2.gz JHXIATXIKPSBQG-YHWZYXNKSA-N 1 0 395.301 2.223 20 0 GEADRO O=C(c1cc(Br)nn1-c1ncccc1Cl)N1CCC[NH2+]CC1 ZINC000884009499 653860387 /nfs/dbraw/zinc/86/03/87/653860387.db2.gz YBDOAXZMBDWCFQ-UHFFFAOYSA-N 1 0 384.665 2.119 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884027998 653861069 /nfs/dbraw/zinc/86/10/69/653861069.db2.gz UIBIJFOCQKPYCY-SNVBAGLBSA-N 1 0 398.692 2.365 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C1 ZINC000866991779 653861177 /nfs/dbraw/zinc/86/11/77/653861177.db2.gz DJBBPPSSJDJKPK-GYCJOSAFSA-N 1 0 387.571 2.346 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000896027775 653861471 /nfs/dbraw/zinc/86/14/71/653861471.db2.gz MZAWDAFBOHJVDI-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO Brc1cccc(-n2ccc(-c3nc(N4CC[NH2+]CC4)no3)n2)c1 ZINC000823315069 653862289 /nfs/dbraw/zinc/86/22/89/653862289.db2.gz JYKQRHJMEAXNGZ-UHFFFAOYSA-N 1 0 375.230 2.094 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@@H](CO)Cc1ccccc1)c1ccc(Br)cc1 ZINC000884080115 653862402 /nfs/dbraw/zinc/86/24/02/653862402.db2.gz LKTTWILBTTWZTP-YOEHRIQHSA-N 1 0 377.282 2.416 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)nc1Br ZINC000793046176 653864090 /nfs/dbraw/zinc/86/40/90/653864090.db2.gz IAXKQUKBKDPZGQ-QWHCGFSZSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884115880 653864612 /nfs/dbraw/zinc/86/46/12/653864612.db2.gz GPNRDHRKUPEXNZ-CYBMUJFWSA-N 1 0 382.302 2.448 20 0 GEADRO C[C@@H]1[C@H](COC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC[N@@H+]1C ZINC000845816338 653864623 /nfs/dbraw/zinc/86/46/23/653864623.db2.gz AMGQARKOKIRIED-OLZOCXBDSA-N 1 0 386.901 2.377 20 0 GEADRO CCC1(CNS(=O)(=O)N=S(C)(C)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000867007790 653864895 /nfs/dbraw/zinc/86/48/95/653864895.db2.gz DBYKXZGBRRGCJW-UHFFFAOYSA-N 1 0 387.571 2.241 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000793065953 653865063 /nfs/dbraw/zinc/86/50/63/653865063.db2.gz ORDSCDIWZLXBQA-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]([NH3+])c1ccc(Br)cc1)CC2 ZINC000884152675 653865959 /nfs/dbraw/zinc/86/59/59/653865959.db2.gz QXPDVESTSORTEY-ARFHVFGLSA-N 1 0 397.313 2.227 20 0 GEADRO COCCCOC1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884147393 653865965 /nfs/dbraw/zinc/86/59/65/653865965.db2.gz INNKWLPYLVGSTE-MRXNPFEDSA-N 1 0 385.302 2.493 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000845859605 653866155 /nfs/dbraw/zinc/86/61/55/653866155.db2.gz OJUZBMHKZXLINY-ZDUSSCGKSA-N 1 0 376.881 2.401 20 0 GEADRO CS[C@H]1CN(C(=O)c2cnn(C(C)C)c2Br)C[C@H]1[NH+](C)C ZINC000867019025 653866532 /nfs/dbraw/zinc/86/65/32/653866532.db2.gz FWBGMNMTVROQON-NEPJUHHUSA-N 1 0 375.336 2.344 20 0 GEADRO [NH3+][C@@H](C(=O)NCCc1nnc2n1CCCCC2)c1ccc(Br)cc1 ZINC000884182223 653867154 /nfs/dbraw/zinc/86/71/54/653867154.db2.gz CBPBSDMYQBTJHN-MRXNPFEDSA-N 1 0 392.301 2.126 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)C[C@H]1[NH+](C)C ZINC000867025976 653867977 /nfs/dbraw/zinc/86/79/77/653867977.db2.gz RVPQVFCXWYCLPW-DGCLKSJQSA-N 1 0 375.903 2.147 20 0 GEADRO COCC[C@@H]([NH3+])C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000884226943 653868703 /nfs/dbraw/zinc/86/87/03/653868703.db2.gz DUROUSUEAGXIIG-XJKSGUPXSA-N 1 0 384.318 2.018 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(Br)cc2=O)[C@@H]1c1ccccc1 ZINC000867029348 653868905 /nfs/dbraw/zinc/86/89/05/653868905.db2.gz BKRMRLFYVOEPJL-QAPCUYQASA-N 1 0 390.281 2.172 20 0 GEADRO COC[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1cccc(Br)c1 ZINC000896248914 653870656 /nfs/dbraw/zinc/87/06/56/653870656.db2.gz ICAKZGZBEMOOQI-IJEWVQPXSA-N 1 0 382.302 2.340 20 0 GEADRO [NH3+][C@H]1CCc2nc(NC(=O)c3nn4c(c3Br)CCC4)sc2C1 ZINC000884288212 653870713 /nfs/dbraw/zinc/87/07/13/653870713.db2.gz YVQKYPFEVGWDID-ZETCQYMHSA-N 1 0 382.287 2.117 20 0 GEADRO CC[C@H](Sc1nc(CC(=O)Nc2ccc3c(c2)C[NH2+]C3)cs1)C(N)=O ZINC000884299729 653871241 /nfs/dbraw/zinc/87/12/41/653871241.db2.gz CVZGSBQSLSMMOH-AWEZNQCLSA-N 1 0 376.507 2.284 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884300426 653871263 /nfs/dbraw/zinc/87/12/63/653871263.db2.gz ZTXGUKGDPLTJCP-ZFWWWQNUSA-N 1 0 381.270 2.179 20 0 GEADRO C[NH+](C)C[C@@H](CNS(=O)(=O)c1c[nH]nc1Cl)c1ccc(Cl)cc1 ZINC000845956170 653872447 /nfs/dbraw/zinc/87/24/47/653872447.db2.gz UZZGTEFQDXGBHK-LLVKDONJSA-N 1 0 377.297 2.340 20 0 GEADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000823576109 653872502 /nfs/dbraw/zinc/87/25/02/653872502.db2.gz BWXMOJPIMKHZQO-INIZCTEOSA-N 1 0 399.329 2.299 20 0 GEADRO Cn1ncc(Br)c1CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000884337947 653873162 /nfs/dbraw/zinc/87/31/62/653873162.db2.gz VNXGXRVGEUISNE-UHFFFAOYSA-N 1 0 384.303 2.287 20 0 GEADRO C[C@@H](C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(C(F)(F)F)cc1 ZINC000896312195 653873605 /nfs/dbraw/zinc/87/36/05/653873605.db2.gz AJGHHVIDWQZOFQ-NSHDSACASA-N 1 0 386.461 2.456 20 0 GEADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1nn2c(c1Br)CCC2 ZINC000884374682 653874475 /nfs/dbraw/zinc/87/44/75/653874475.db2.gz YRZMMPDNNCUUQH-CQSZACIVSA-N 1 0 375.270 2.290 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867067386 653874579 /nfs/dbraw/zinc/87/45/79/653874579.db2.gz JUJMICPTHPIEKE-DOTOQJQBSA-N 1 0 387.571 2.239 20 0 GEADRO COC(=O)[C@]12C[N@H+](Cc3cc(OC)ccc3Br)C[C@H]1COCC2 ZINC000793347216 653875870 /nfs/dbraw/zinc/87/58/70/653875870.db2.gz RAGLDKRREHJXFJ-SUMWQHHRSA-N 1 0 384.270 2.469 20 0 GEADRO CN1C(=O)NCC12CC[NH+](C[C@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000823655419 653876022 /nfs/dbraw/zinc/87/60/22/653876022.db2.gz ORVANWJSVLNGMC-ZDUSSCGKSA-N 1 0 388.295 2.223 20 0 GEADRO CC(C)(CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000884439675 653876926 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Cc1csc([C@@H](C)NC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)n1 ZINC000884618611 653882478 /nfs/dbraw/zinc/88/24/78/653882478.db2.gz IZRVBLFNPDPVIV-GFCCVEGCSA-N 1 0 380.901 2.270 20 0 GEADRO C[C@@H](NC(=O)Cc1ccc(Br)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896526485 653882673 /nfs/dbraw/zinc/88/26/73/653882673.db2.gz IHBXREUZBTWICE-ABAIWWIYSA-N 1 0 388.737 2.396 20 0 GEADRO C[C@H](NC(=O)c1cc2c(ccc(F)c2Br)[nH]1)[C@H]1C[N@H+](C)CCN1C ZINC000896537476 653883051 /nfs/dbraw/zinc/88/30/51/653883051.db2.gz ZJTHGSCLVXPURV-ZUZCIYMTSA-N 1 0 397.292 2.434 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000884662482 653883556 /nfs/dbraw/zinc/88/35/56/653883556.db2.gz QYPFRDHKOHADDM-XCBNKYQSSA-N 1 0 396.221 2.159 20 0 GEADRO C[C@@H](NC(=O)C(C)(C)c1cccc(Br)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896558803 653885484 /nfs/dbraw/zinc/88/54/84/653885484.db2.gz YYZCXSRHQGPGBV-CJNGLKHVSA-N 1 0 382.346 2.477 20 0 GEADRO C[C@H](NC(=O)CCCOc1ccccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896570930 653885818 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COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867976966 654012499 /nfs/dbraw/zinc/01/24/99/654012499.db2.gz XMURBKSDNQGTPQ-UWVGGRQHSA-N 1 0 383.164 2.059 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886986216 654012894 /nfs/dbraw/zinc/01/28/94/654012894.db2.gz AXQAIAIPAUBEAM-PWSUYJOCSA-N 1 0 376.254 2.489 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000849327002 654013031 /nfs/dbraw/zinc/01/30/31/654013031.db2.gz HMTKFPQNQQWFTH-CQSZACIVSA-N 1 0 381.416 2.423 20 0 GEADRO CO[C@H](C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)[C@@H]1CCOC1 ZINC000849327743 654013067 /nfs/dbraw/zinc/01/30/67/654013067.db2.gz REQOIBWXTFTJAE-HFBAOOFYSA-N 1 0 376.266 2.437 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(Br)c1 ZINC000867985182 654013186 /nfs/dbraw/zinc/01/31/86/654013186.db2.gz VQAMGSRPZBRVRI-DYEKYZERSA-N 1 0 375.213 2.379 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccccc1SCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000886990138 654013277 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C[C@@]1([NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000868075599 654016978 /nfs/dbraw/zinc/01/69/78/654016978.db2.gz MNJMRTSUYCTETI-RHSMWYFYSA-N 1 0 380.286 2.003 20 0 GEADRO C[C@@]1([NH3+])CCN(C(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1 ZINC000868073915 654017052 /nfs/dbraw/zinc/01/70/52/654017052.db2.gz UPIGDNSTIHKRRL-QGZVFWFLSA-N 1 0 378.523 2.069 20 0 GEADRO [NH3+]CCCn1cc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)nn1 ZINC000828037998 654018993 /nfs/dbraw/zinc/01/89/93/654018993.db2.gz RAJGGBXOLRDDMG-UHFFFAOYSA-N 1 0 380.905 2.086 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000868134668 654019935 /nfs/dbraw/zinc/01/99/35/654019935.db2.gz KEBGJJFIIUWUHD-MJBXVCDLSA-N 1 0 380.794 2.405 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000828076507 654020934 /nfs/dbraw/zinc/02/09/34/654020934.db2.gz WSOUERLAPUZGGR-KRWDZBQOSA-N 1 0 398.276 2.328 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000899563934 654021969 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COCCC[NH+]1CCC(NC(=O)NCc2ccc(Br)cn2)CC1 ZINC000868282528 654027464 /nfs/dbraw/zinc/02/74/64/654027464.db2.gz ZMGIEOJKDZRJHR-UHFFFAOYSA-N 1 0 385.306 2.144 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000868284409 654027713 /nfs/dbraw/zinc/02/77/13/654027713.db2.gz AXJOAMMSKUDGIN-UMSPYCQHSA-N 1 0 384.274 2.030 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)c1Br ZINC000868288415 654027752 /nfs/dbraw/zinc/02/77/52/654027752.db2.gz AVFXFPJBWSMQFF-UHFFFAOYSA-N 1 0 384.249 2.317 20 0 GEADRO C[N@H+](CCO)CCNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000899738406 654030672 /nfs/dbraw/zinc/03/06/72/654030672.db2.gz ZLACTRNRDSWGGD-UHFFFAOYSA-N 1 0 385.180 2.002 20 0 GEADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868344286 654031691 /nfs/dbraw/zinc/03/16/91/654031691.db2.gz OXZLKTJYSZTBLC-QKGUJMCYSA-N 1 0 391.309 2.002 20 0 GEADRO C[C@@H](CCNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)[NH+](C)C ZINC000849428873 654032410 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Cc1cc(I)ccc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000899914762 654036771 /nfs/dbraw/zinc/03/67/71/654036771.db2.gz CPOYKMFVVUMCOA-HNNXBMFYSA-N 1 0 388.249 2.385 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899914830 654036856 /nfs/dbraw/zinc/03/68/56/654036856.db2.gz DNVCOXJCVDTFPI-ZDUSSCGKSA-N 1 0 386.233 2.259 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(C)=C(Br)C2)CC1=O ZINC000797697578 654038412 /nfs/dbraw/zinc/03/84/12/654038412.db2.gz PHTMQHYZXRHFDE-GJZGRUSLSA-N 1 0 398.345 2.220 20 0 GEADRO Cn1cc(S(=O)(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)nc1Cl ZINC000849453718 654039320 /nfs/dbraw/zinc/03/93/20/654039320.db2.gz BAHAQVFZBUDWLR-HNNXBMFYSA-N 1 0 382.917 2.011 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Br)n(C)n1 ZINC000828554943 654041860 /nfs/dbraw/zinc/04/18/60/654041860.db2.gz IFLZPGCCTDTJTD-WFASDCNBSA-N 1 0 377.286 2.433 20 0 GEADRO C[S@@](=O)C1(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000797797354 654042128 /nfs/dbraw/zinc/04/21/28/654042128.db2.gz QYDMLHRKCQTHQW-RUZDIDTESA-N 1 0 379.595 2.416 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1csc(I)n1 ZINC000828592239 654043356 /nfs/dbraw/zinc/04/33/56/654043356.db2.gz QVSJTYACFDJLJW-SCZZXKLOSA-N 1 0 379.267 2.160 20 0 GEADRO CCc1[nH]nc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1Br ZINC000849560284 654046255 /nfs/dbraw/zinc/04/62/55/654046255.db2.gz ZUJBHFCOLLJIFM-NEPJUHHUSA-N 1 0 395.305 2.142 20 0 GEADRO COc1ccc([C@H](C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1Br ZINC000900012190 654046477 /nfs/dbraw/zinc/04/64/77/654046477.db2.gz CKSVQHRKSALIAC-SJCJKPOMSA-N 1 0 385.302 2.482 20 0 GEADRO C[NH2+][C@H](CNc1ncnc2c1c(Br)nn2C)Cc1ccccc1 ZINC000900019694 654046789 /nfs/dbraw/zinc/04/67/89/654046789.db2.gz DXKTXGNTDMDWHU-LBPRGKRZSA-N 1 0 375.274 2.368 20 0 GEADRO C[NH+]1CCN(CCNC(=O)c2ccc(OC(F)F)c(Br)c2)CC1 ZINC000900043543 654047321 /nfs/dbraw/zinc/04/73/21/654047321.db2.gz PQOJRNQHYNOTMQ-UHFFFAOYSA-N 1 0 392.244 2.028 20 0 GEADRO O=C(Nc1cc2c(cc1Br)OCCO2)C1C[NH+](C2CCOCC2)C1 ZINC000900043525 654047457 /nfs/dbraw/zinc/04/74/57/654047457.db2.gz PAWWASWKXMOSKF-UHFFFAOYSA-N 1 0 397.269 2.270 20 0 GEADRO CN(CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)S(=O)(=O)c1ccc(F)cc1 ZINC000797998807 654048698 /nfs/dbraw/zinc/04/86/98/654048698.db2.gz KBQUGMNKTAXKOR-OAGGEKHMSA-N 1 0 390.571 2.415 20 0 GEADRO CC1([NH+]2CCCCC2)CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 ZINC000828787369 654051037 /nfs/dbraw/zinc/05/10/37/654051037.db2.gz HFHHWNGLPHQDKT-UHFFFAOYSA-N 1 0 389.905 2.061 20 0 GEADRO C[C@H](CNC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)C[NH+](C)C ZINC000887846133 654052679 /nfs/dbraw/zinc/05/26/79/654052679.db2.gz UFVZEIHOPIUSIT-GFCCVEGCSA-N 1 0 391.921 2.083 20 0 GEADRO O=C(NCCc1ccc(Br)cc1F)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000828983818 654057200 /nfs/dbraw/zinc/05/72/00/654057200.db2.gz XKNZYLPXYXXBBB-NSHDSACASA-N 1 0 381.249 2.361 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1cccc(Br)c1 ZINC000887921351 654058642 /nfs/dbraw/zinc/05/86/42/654058642.db2.gz DICNFZFDFQYFBC-KYJSFNMBSA-N 1 0 394.313 2.036 20 0 GEADRO Cc1nc2ccc(Br)cn2c1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887926683 654058984 /nfs/dbraw/zinc/05/89/84/654058984.db2.gz TZJXDDKVIBKTID-PXAZEXFGSA-N 1 0 377.286 2.429 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccnc3-n3cc(Br)cn3)C[C@]2(C)C1 ZINC000887925862 654058988 /nfs/dbraw/zinc/05/89/88/654058988.db2.gz SGDIHGIQQHLTBT-PXAZEXFGSA-N 1 0 390.285 2.054 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccccc3I)C[C@]2(C)C1 ZINC000887930585 654059201 /nfs/dbraw/zinc/05/92/01/654059201.db2.gz PBRUFWFHQRTFGU-CJNGLKHVSA-N 1 0 384.261 2.244 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C(F)(F)F)n1 ZINC000887934679 654059359 /nfs/dbraw/zinc/05/93/59/654059359.db2.gz QLVQAHIUBSWEKZ-UGFHNGPFSA-N 1 0 377.432 2.002 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900400758 654062580 /nfs/dbraw/zinc/06/25/80/654062580.db2.gz RPBCQKDAUKCCKR-UHFFFAOYSA-N 1 0 380.290 2.342 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000900401262 654062594 /nfs/dbraw/zinc/06/25/94/654062594.db2.gz UKXOLWVQFKOEAQ-UHFFFAOYSA-N 1 0 387.311 2.355 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000868927226 654062806 /nfs/dbraw/zinc/06/28/06/654062806.db2.gz QBOZADJORFNRFZ-HOTGVXAUSA-N 1 0 382.302 2.179 20 0 GEADRO NC(=O)[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)c1cccc(Br)c1 ZINC000900431830 654063655 /nfs/dbraw/zinc/06/36/55/654063655.db2.gz LJANGTTURPHIIO-SOUVJXGZSA-N 1 0 380.286 2.109 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)c1cccc(Br)c1 ZINC000868967686 654064920 /nfs/dbraw/zinc/06/49/20/654064920.db2.gz PVRXXCHDCDNPPC-USXIJHARSA-N 1 0 394.313 2.179 20 0 GEADRO CC(=O)Nc1ccc(Br)cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900494268 654067069 /nfs/dbraw/zinc/06/70/69/654067069.db2.gz HJWISACPBDACQS-UHFFFAOYSA-N 1 0 396.285 2.457 20 0 GEADRO Cn1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c(Br)n1 ZINC000888168830 654069077 /nfs/dbraw/zinc/06/90/77/654069077.db2.gz YVHQJQPCGKIQKY-UHFFFAOYSA-N 1 0 387.347 2.274 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)N(C)CC(=O)NCc2cccs2)cc(Cl)n1 ZINC000829506666 654069433 /nfs/dbraw/zinc/06/94/33/654069433.db2.gz UTXMRYWPMCLAKV-CQSZACIVSA-N 1 0 380.901 2.270 20 0 GEADRO C[NH+]1CCC(NCc2cn(Cc3c(F)cccc3Br)nn2)CC1 ZINC000900561905 654069792 /nfs/dbraw/zinc/06/97/92/654069792.db2.gz LQBUPWGVNBHXQU-UHFFFAOYSA-N 1 0 382.281 2.412 20 0 GEADRO CN(C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C1CC[NH+](C)CC1 ZINC000888178989 654070015 /nfs/dbraw/zinc/07/00/15/654070015.db2.gz CQIDGCXQZVLWBJ-HNNXBMFYSA-N 1 0 381.270 2.083 20 0 GEADRO O=[S@@](CC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)CC(F)(F)F ZINC000850348230 654072190 /nfs/dbraw/zinc/07/21/90/654072190.db2.gz HWJSXJVGNSQZCF-VWLOTQADSA-N 1 0 375.372 2.206 20 0 GEADRO O=[S@@](CC[NH2+]Cc1cnc2ccc(Br)cn12)CC(F)(F)F ZINC000850348592 654072216 /nfs/dbraw/zinc/07/22/16/654072216.db2.gz PLXIAWMSFFNQNB-NRFANRHFSA-N 1 0 384.221 2.497 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850350752 654072664 /nfs/dbraw/zinc/07/26/64/654072664.db2.gz HIAODBPRKMFTMW-KGLIPLIRSA-N 1 0 388.965 2.167 20 0 GEADRO OCCO[C@]1(C[NH2+]Cc2nc3ccc(Br)cc3s2)CCOC1 ZINC000850358620 654072676 /nfs/dbraw/zinc/07/26/76/654072676.db2.gz SPAOUYSMSYMGBO-HNNXBMFYSA-N 1 0 387.299 2.316 20 0 GEADRO Cc1nn(C)c(Cl)c1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000850351271 654072700 /nfs/dbraw/zinc/07/27/00/654072700.db2.gz MFUSGVHWABFQBT-UHFFFAOYSA-N 1 0 386.681 2.059 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000900608232 654072819 /nfs/dbraw/zinc/07/28/19/654072819.db2.gz ROIKYQJNNKSOPA-IGGJQXEISA-N 1 0 391.270 2.488 20 0 GEADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000900617906 654073091 /nfs/dbraw/zinc/07/30/91/654073091.db2.gz FTBHULLJDBOVKT-ZDUSSCGKSA-N 1 0 385.295 2.205 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(=O)n(C)cc2Br)CC1 ZINC000829690888 654076952 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C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(=O)[nH]cc1Br ZINC000829791630 654080141 /nfs/dbraw/zinc/08/01/41/654080141.db2.gz GLVNASIBMFHSMZ-NSHDSACASA-N 1 0 377.242 2.296 20 0 GEADRO CC[C@@H](C)CC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850505592 654080172 /nfs/dbraw/zinc/08/01/72/654080172.db2.gz SZHCCFURVIICJM-KGLIPLIRSA-N 1 0 376.544 2.499 20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1(n2cc(Br)cn2)CC1 ZINC000829792369 654080205 /nfs/dbraw/zinc/08/02/05/654080205.db2.gz XDVSTMLDUYMCSZ-CYBMUJFWSA-N 1 0 390.285 2.267 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cncc(Br)c1 ZINC000850517787 654080836 /nfs/dbraw/zinc/08/08/36/654080836.db2.gz BVSMXMDIYAXNDT-QMMMGPOBSA-N 1 0 375.210 2.472 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)[nH]nc2I)C[C@@H]1C ZINC000900802880 654081088 /nfs/dbraw/zinc/08/10/88/654081088.db2.gz WSYVSNJWKLYUDF-GXSJLCMTSA-N 1 0 390.269 2.268 20 0 GEADRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850534071 654081613 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O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC=C(Br)C1 ZINC000799605679 654101222 /nfs/dbraw/zinc/10/12/22/654101222.db2.gz XIXOJQTUMDCEIO-CVEARBPZSA-N 1 0 386.334 2.448 20 0 GEADRO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)Nc1ccc(Br)nc1 ZINC000850729745 654102286 /nfs/dbraw/zinc/10/22/86/654102286.db2.gz GDEPKCVUVNCNLG-UHFFFAOYSA-N 1 0 395.301 2.021 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)Nc2nc3ccc(Cl)nc3s2)CC1 ZINC000888782557 654103566 /nfs/dbraw/zinc/10/35/66/654103566.db2.gz AECLNROLNWSRJT-UHFFFAOYSA-N 1 0 382.921 2.494 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000916663798 654104116 /nfs/dbraw/zinc/10/41/16/654104116.db2.gz NQQHCOUDGRMIBB-NWDGAFQWSA-N 1 0 389.315 2.030 20 0 GEADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901104747 654108687 /nfs/dbraw/zinc/10/86/87/654108687.db2.gz JLMKRVHKXLGSOM-OFQRWUPVSA-N 1 0 397.313 2.322 20 0 GEADRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000916834218 654110018 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COC(=O)c1cc(NC(=O)C2C[NH+](C3CCOCC3)C2)ccc1Br ZINC000901322786 654120390 /nfs/dbraw/zinc/12/03/90/654120390.db2.gz KDUNBPZUIMXFNQ-UHFFFAOYSA-N 1 0 397.269 2.285 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)CC2 ZINC000901326719 654120840 /nfs/dbraw/zinc/12/08/40/654120840.db2.gz UVVSBBNDWXRRPW-GOSISDBHSA-N 1 0 381.314 2.489 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(F)cc2Br)C1 ZINC000869778996 654122701 /nfs/dbraw/zinc/12/27/01/654122701.db2.gz OLJBHLVPPWMCOH-VIFPVBQESA-N 1 0 377.229 2.302 20 0 GEADRO CN1C(=O)C(=C(N)NOCc2ccc(Br)cc2)C(=[NH2+])C12CCCC2 ZINC000917418358 654123161 /nfs/dbraw/zinc/12/31/61/654123161.db2.gz WOVOHKXPSMIOFJ-UHFFFAOYSA-N 1 0 393.285 2.445 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869780761 654123335 /nfs/dbraw/zinc/12/33/35/654123335.db2.gz RHRXYVMANSWFLW-OCCSQVGLSA-N 1 0 385.302 2.178 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000889157787 654126805 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CCCc1ccc(Cl)c(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1 ZINC000917898325 654137467 /nfs/dbraw/zinc/13/74/67/654137467.db2.gz JTYNQEOYJAOGCS-UHFFFAOYSA-N 1 0 385.961 2.160 20 0 GEADRO Cc1cc(NC(=O)c2cn(C)nc2Br)n(C2CC[NH+](C)CC2)n1 ZINC000889403468 654140997 /nfs/dbraw/zinc/14/09/97/654140997.db2.gz LNLWDIUBAWMQOF-UHFFFAOYSA-N 1 0 381.278 2.207 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(F)(F)Br ZINC000851280382 654142696 /nfs/dbraw/zinc/14/26/96/654142696.db2.gz VTSCQDIDIVFULK-VIFPVBQESA-N 1 0 389.237 2.362 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000889433800 654143157 /nfs/dbraw/zinc/14/31/57/654143157.db2.gz JZJZBXMPFZOXAF-HNNXBMFYSA-N 1 0 387.311 2.175 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NCc1ccccc1 ZINC000901727444 654143619 /nfs/dbraw/zinc/14/36/19/654143619.db2.gz HERLGDARPOREAI-GXTWGEPZSA-N 1 0 377.286 2.255 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NCc1cccs1 ZINC000901728892 654144067 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C[C@@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000852088936 654217172 /nfs/dbraw/zinc/21/71/72/654217172.db2.gz IYAPWIJJDBUDAM-ZJWNCGCPSA-N 1 0 379.448 2.117 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC000852090361 654217189 /nfs/dbraw/zinc/21/71/89/654217189.db2.gz ZNNQPLQRRPDEAG-CANCMXDXSA-N 1 0 385.496 2.497 20 0 GEADRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903124560 654218869 /nfs/dbraw/zinc/21/88/69/654218869.db2.gz IQDQWEWAMMPOIG-JQWIXIFHSA-N 1 0 376.400 2.394 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903124556 654218980 /nfs/dbraw/zinc/21/89/80/654218980.db2.gz IQDQWEWAMMPOIG-CMPLNLGQSA-N 1 0 376.400 2.394 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852125078 654219367 /nfs/dbraw/zinc/21/93/67/654219367.db2.gz KKCJNXMVBRPBFC-BBRMVZONSA-N 1 0 390.311 2.437 20 0 GEADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1)C(=O)N(C)C 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LPLLMZONWWTXRS-UHFFFAOYSA-N 1 0 387.343 2.492 20 0 GEADRO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903213613 654227411 /nfs/dbraw/zinc/22/74/11/654227411.db2.gz NRNQZIHGPCYCAJ-ZJUUUORDSA-N 1 0 394.324 2.160 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903225974 654228571 /nfs/dbraw/zinc/22/85/71/654228571.db2.gz JASKXNOIUCBHRB-QMTHXVAHSA-N 1 0 377.388 2.098 20 0 GEADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)C[C@H]1OCc1ccccc1 ZINC000903228291 654229467 /nfs/dbraw/zinc/22/94/67/654229467.db2.gz YDTKQCIDLPSWMC-HZPDHXFCSA-N 1 0 388.555 2.017 20 0 GEADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229771 654230214 /nfs/dbraw/zinc/23/02/14/654230214.db2.gz OZNCEYDDHVXYAF-NEPJUHHUSA-N 1 0 389.568 2.435 20 0 GEADRO [NH3+]CCCCCC(=O)NCCOc1ccc(I)cc1 ZINC000832070759 654231276 /nfs/dbraw/zinc/23/12/76/654231276.db2.gz DAXWHKGVASPELX-UHFFFAOYSA-N 1 0 376.238 2.305 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903269873 654231934 /nfs/dbraw/zinc/23/19/34/654231934.db2.gz AOLKSWSJFDZRAY-WBAXXEDZSA-N 1 0 383.583 2.167 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000921017598 654232253 /nfs/dbraw/zinc/23/22/53/654232253.db2.gz MONAXDZAZQSCQZ-UHFFFAOYSA-N 1 0 383.857 2.066 20 0 GEADRO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903286687 654232463 /nfs/dbraw/zinc/23/24/63/654232463.db2.gz MRKGEVQFMROCEV-OSEFDMGASA-N 1 0 377.293 2.467 20 0 GEADRO O=C(NCCn1cc(Br)cn1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000852332244 654232576 /nfs/dbraw/zinc/23/25/76/654232576.db2.gz HCWMYSLSNOHKTG-CQSZACIVSA-N 1 0 384.322 2.067 20 0 GEADRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cn1 ZINC000903325165 654234318 /nfs/dbraw/zinc/23/43/18/654234318.db2.gz JXDKCMWXXCKHRO-QMTHXVAHSA-N 1 0 391.269 2.332 20 0 GEADRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000903327308 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1 0 386.901 2.285 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCCF)CCS2(=O)=O ZINC000903453468 654239968 /nfs/dbraw/zinc/23/99/68/654239968.db2.gz ZKIHAUKLZNXHGO-MYPHYYIGSA-N 1 0 375.506 2.393 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1sc(C)nc1C)CCS2(=O)=O ZINC000903453362 654240014 /nfs/dbraw/zinc/24/00/14/654240014.db2.gz XWMBXIGITKRTER-DHFKXCJNSA-N 1 0 386.539 2.310 20 0 GEADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000903479155 654240348 /nfs/dbraw/zinc/24/03/48/654240348.db2.gz JPOOIBLIIJCXFR-GHMZBOCLSA-N 1 0 394.273 2.068 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000903493296 654241044 /nfs/dbraw/zinc/24/10/44/654241044.db2.gz OZQNYBQDZJQUHX-DYVFJYSZSA-N 1 0 390.933 2.407 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000903491643 654241172 /nfs/dbraw/zinc/24/11/72/654241172.db2.gz UNLFIWBBRLLPGL-AWEZNQCLSA-N 1 0 382.404 2.144 20 0 GEADRO COC(=O)c1nscc1S(=O)(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000921282364 654242326 /nfs/dbraw/zinc/24/23/26/654242326.db2.gz ZYXLQZFOHDCSQF-UHFFFAOYSA-N 1 0 387.527 2.005 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC000832188085 654243764 /nfs/dbraw/zinc/24/37/64/654243764.db2.gz UIYCQPIFRJPGPZ-CYBMUJFWSA-N 1 0 376.469 2.462 20 0 GEADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903512658 654244549 /nfs/dbraw/zinc/24/45/49/654244549.db2.gz BLVFMEFANXPCEH-JTQLQIEISA-N 1 0 381.723 2.474 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1F ZINC000903517783 654246419 /nfs/dbraw/zinc/24/64/19/654246419.db2.gz LRBNOFKTLLZFCK-BDAKNGLRSA-N 1 0 381.267 2.145 20 0 GEADRO CSC1(CNC(=O)c2c(Br)nc3n2CCC3)CC[NH+](C)CC1 ZINC000832210419 654246673 /nfs/dbraw/zinc/24/66/73/654246673.db2.gz XOTHNZHIQCJZTL-UHFFFAOYSA-N 1 0 387.347 2.149 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc32)CC[C@@H]1C(F)(F)F ZINC000903519149 654247276 /nfs/dbraw/zinc/24/72/76/654247276.db2.gz BSHQZRIEJCRJRV-VHSXEESVSA-N 1 0 382.795 2.117 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCc2cc(Br)c(F)cc2C1 ZINC000903520466 654247899 /nfs/dbraw/zinc/24/78/99/654247899.db2.gz ONFCWBZSSNTEFN-UHFFFAOYSA-N 1 0 391.306 2.276 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)s1 ZINC000903521069 654248135 /nfs/dbraw/zinc/24/81/35/654248135.db2.gz GYSIPVUDCJKPTJ-LBPRGKRZSA-N 1 0 387.571 2.331 20 0 GEADRO [NH3+]CC1(NS(=O)(=O)Cc2cccc(Cl)c2Br)CCOCC1 ZINC000903524943 654249188 /nfs/dbraw/zinc/24/91/88/654249188.db2.gz GEYPRFNWKIFNCD-UHFFFAOYSA-N 1 0 397.722 2.030 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000903524927 654249223 /nfs/dbraw/zinc/24/92/23/654249223.db2.gz FIBDQNCZVJVEMN-VHSXEESVSA-N 1 0 381.267 2.016 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903525902 654249873 /nfs/dbraw/zinc/24/98/73/654249873.db2.gz UWDRVHISDRQSEK-QWHCGFSZSA-N 1 0 377.279 2.244 20 0 GEADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1c(Cl)cncc1Cl ZINC000871674787 654250879 /nfs/dbraw/zinc/25/08/79/654250879.db2.gz JXZOFCROBHLGMK-UHFFFAOYSA-N 1 0 379.251 2.268 20 0 GEADRO COc1ccc(Cl)cc1CNC(=O)CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903534337 654251159 /nfs/dbraw/zinc/25/11/59/654251159.db2.gz FPTFAADMRPLYBI-CHWSQXEVSA-N 1 0 379.810 2.176 20 0 GEADRO [NH3+][C@H]1CN(CC(=O)NCCCSc2ccccc2)CC[C@H]1C(F)(F)F ZINC000903535382 654251180 /nfs/dbraw/zinc/25/11/80/654251180.db2.gz SOMHUJOYMFDOBV-CABCVRRESA-N 1 0 375.460 2.497 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903538765 654251783 /nfs/dbraw/zinc/25/17/83/654251783.db2.gz BGBDIHMHABPXBU-NHYWBVRUSA-N 1 0 389.315 2.350 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c(Cl)cc1F ZINC000903544875 654252928 /nfs/dbraw/zinc/25/29/28/654252928.db2.gz KXCHOXOSOCYTBR-GFCCVEGCSA-N 1 0 376.881 2.225 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000903545383 654253383 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[NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000903570413 654257535 /nfs/dbraw/zinc/25/75/35/654257535.db2.gz HGZDOQPLNOVOCU-GHMZBOCLSA-N 1 0 387.221 2.100 20 0 GEADRO CCc1ncc(S(=O)(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903573492 654258753 /nfs/dbraw/zinc/25/87/53/654258753.db2.gz JFBBEJNWRPYBBQ-DYVFJYSZSA-N 1 0 379.507 2.240 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1Cl ZINC000903573150 654258801 /nfs/dbraw/zinc/25/88/01/654258801.db2.gz GHAKEOAEUICJQI-CXAGYDPISA-N 1 0 379.869 2.269 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1Br ZINC000903575174 654259220 /nfs/dbraw/zinc/25/92/20/654259220.db2.gz GQFVGCPTLIHACU-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO Cn1ncc(I)c1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871799521 654259945 /nfs/dbraw/zinc/25/99/45/654259945.db2.gz JLYDVJZNJLVMJO-CBLAIPOGSA-N 1 0 385.209 2.073 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000903577974 654260399 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BLNSLAAJAYEXSJ-HAQNSBGRSA-N 1 0 378.416 2.475 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C[C@H]1C2(Br)Br ZINC000852901459 654266691 /nfs/dbraw/zinc/26/66/91/654266691.db2.gz ITNKCYPTCSRTCJ-GPTQDWHKSA-N 1 0 378.108 2.091 20 0 GEADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000871811392 654262904 /nfs/dbraw/zinc/26/29/04/654262904.db2.gz WMQXFKGFXFFPIL-ZDUSSCGKSA-N 1 0 378.416 2.142 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000852846922 654263113 /nfs/dbraw/zinc/26/31/13/654263113.db2.gz HUVNMDBPZMGYJZ-UHFFFAOYSA-N 1 0 380.279 2.325 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1Cl ZINC000903584237 654263200 /nfs/dbraw/zinc/26/32/00/654263200.db2.gz JXPVRZHXTXSISD-LBPRGKRZSA-N 1 0 397.722 2.469 20 0 GEADRO Cn1c(Cl)cnc1-c1csc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)n1 ZINC000852845001 654263365 /nfs/dbraw/zinc/26/33/65/654263365.db2.gz QKEXPOPPTXAKBQ-QMMMGPOBSA-N 1 0 377.861 2.249 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000852841474 654263370 /nfs/dbraw/zinc/26/33/70/654263370.db2.gz LGYMSAKNQQCVDU-UHFFFAOYSA-N 1 0 387.933 2.324 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C[C@@H]1C(F)(F)F ZINC000871814474 654264432 /nfs/dbraw/zinc/26/44/32/654264432.db2.gz UZYKWEZZHZNBTK-KGLIPLIRSA-N 1 0 383.480 2.347 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c(Cl)cc1Cl ZINC000903589635 654264551 /nfs/dbraw/zinc/26/45/51/654264551.db2.gz QFXQHABFPNKKCG-BJOHPYRUSA-N 1 0 393.292 2.282 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1F ZINC000903592035 654265165 /nfs/dbraw/zinc/26/51/65/654265165.db2.gz KLGSPGUTBNYGOJ-CQSZACIVSA-N 1 0 393.278 2.113 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@]34CC[NH2+]C4)cc21 ZINC000903591341 654265228 /nfs/dbraw/zinc/26/52/28/654265228.db2.gz DFUVAFBSRNEDPY-MRXNPFEDSA-N 1 0 398.326 2.457 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccc(I)cc1F ZINC000852904691 654266903 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Brc1c[nH]c(CNCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000921515944 654277625 /nfs/dbraw/zinc/27/76/25/654277625.db2.gz VIRHHAMINQFTDS-UHFFFAOYSA-N 1 0 378.318 2.474 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c(C)c1Cl ZINC000853081311 654277606 /nfs/dbraw/zinc/27/76/06/654277606.db2.gz PFHXZHZXRGINHF-LURJTMIESA-N 1 0 394.824 2.007 20 0 GEADRO Fc1ccc(N2CCN(CC[NH2+]Cc3nc(Br)c[nH]3)CC2)cc1 ZINC000921519326 654277640 /nfs/dbraw/zinc/27/76/40/654277640.db2.gz BBXWEQHMVLAYMW-UHFFFAOYSA-N 1 0 382.281 2.223 20 0 GEADRO O=C1N(CC[NH2+]C[C@@H](O)c2ccccc2Br)C[C@H]2CCCCN12 ZINC000853118801 654280217 /nfs/dbraw/zinc/28/02/17/654280217.db2.gz RCRWZCYSUZCXRK-CZUORRHYSA-N 1 0 382.302 2.362 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903714451 654280656 /nfs/dbraw/zinc/28/06/56/654280656.db2.gz VYKSLOAKQYZJPW-BXKDBHETSA-N 1 0 398.212 2.300 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717881 654280869 /nfs/dbraw/zinc/28/08/69/654280869.db2.gz FHKZUVUDLVRCRT-DYVFJYSZSA-N 1 0 382.302 2.088 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cccs2)CC[C@@H]1C(F)(F)F ZINC000903716273 654281130 /nfs/dbraw/zinc/28/11/30/654281130.db2.gz SZUUWORLIIHYBV-QJPTWQEYSA-N 1 0 375.416 2.150 20 0 GEADRO CN(Cc1nc(Cc2cccc(Br)c2)no1)C1(C[NH3+])CCOCC1 ZINC000903808143 654284155 /nfs/dbraw/zinc/28/41/55/654284155.db2.gz AHCYEVRUOJQCKC-UHFFFAOYSA-N 1 0 395.301 2.363 20 0 GEADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)C1(C[NH3+])CCOCC1 ZINC000903807589 654284348 /nfs/dbraw/zinc/28/43/48/654284348.db2.gz JXTHKYCSEWETLP-UHFFFAOYSA-N 1 0 392.244 2.106 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000903830732 654284666 /nfs/dbraw/zinc/28/46/66/654284666.db2.gz JFEMHZXIRAOGOU-CQSZACIVSA-N 1 0 381.274 2.309 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000903836304 654285126 /nfs/dbraw/zinc/28/51/26/654285126.db2.gz JFDLNPXKEAREMI-LLVKDONJSA-N 1 0 387.303 2.371 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN(C)C[C@H](O)c2ccccc2Br)CC1 ZINC000832672917 654286264 /nfs/dbraw/zinc/28/62/64/654286264.db2.gz NWLUOHWAIVGOIS-KRWDZBQOSA-N 1 0 398.345 2.015 20 0 GEADRO Cn1nc2c(c1C[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)COCC2 ZINC000921594772 654289249 /nfs/dbraw/zinc/28/92/49/654289249.db2.gz AZTXCULZAVUFRQ-NSHDSACASA-N 1 0 386.279 2.329 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000832721579 654290350 /nfs/dbraw/zinc/29/03/50/654290350.db2.gz BHWOTQVRSCREDI-OAHLLOKOSA-N 1 0 393.347 2.086 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000921601685 654290963 /nfs/dbraw/zinc/29/09/63/654290963.db2.gz VIYOPVONLMBIMS-CQSZACIVSA-N 1 0 379.448 2.053 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903906178 654291617 /nfs/dbraw/zinc/29/16/17/654291617.db2.gz UAQPREHSCQKDLB-ZXFUBFMLSA-N 1 0 383.945 2.177 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000832743399 654292814 /nfs/dbraw/zinc/29/28/14/654292814.db2.gz YAZBDCHQCOFDPR-NEPJUHHUSA-N 1 0 378.274 2.229 20 0 GEADRO Brc1cc2c(cc1CN[C@@H]1C[NH2+]CC3(CCOCC3)C1)OCO2 ZINC000903974581 654294034 /nfs/dbraw/zinc/29/40/34/654294034.db2.gz QZHVLPYKRXNPQS-ZDUSSCGKSA-N 1 0 383.286 2.426 20 0 GEADRO O=C(NCc1cccc(Br)c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891461438 654294486 /nfs/dbraw/zinc/29/44/86/654294486.db2.gz OJEJTNOTYBANTC-HNNXBMFYSA-N 1 0 382.302 2.407 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1ncc(Br)cn1)c1cccs1 ZINC000891508827 654298044 /nfs/dbraw/zinc/29/80/44/654298044.db2.gz OOHCMASYHRQHKP-NSHDSACASA-N 1 0 384.303 2.403 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)[C@@H](C)C1 ZINC000853485999 654298653 /nfs/dbraw/zinc/29/86/53/654298653.db2.gz OYGYMGLPRKVHPH-IUCAKERBSA-N 1 0 388.697 2.265 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000891523683 654298773 /nfs/dbraw/zinc/29/87/73/654298773.db2.gz CMEVRLVQJLLXGZ-AWEZNQCLSA-N 1 0 397.317 2.432 20 0 GEADRO Cc1cc(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)oc1Br ZINC000904055287 654298978 /nfs/dbraw/zinc/29/89/78/654298978.db2.gz GNGMZBGARYWYGI-UHFFFAOYSA-N 1 0 397.273 2.496 20 0 GEADRO O=C(NCCC[NH2+]Cc1cnc2n1CCOC2)c1ccc(Br)cc1 ZINC000921652463 654299069 /nfs/dbraw/zinc/29/90/69/654299069.db2.gz IGJPYSSPXGEGNN-UHFFFAOYSA-N 1 0 393.285 2.086 20 0 GEADRO CC1(C)CN(c2nc(Cl)nc3c(Br)c[nH]c32)CC[N@@H+]1CCO ZINC000853511530 654300182 /nfs/dbraw/zinc/30/01/82/654300182.db2.gz QKWMQQHGAYTAHG-UHFFFAOYSA-N 1 0 388.697 2.267 20 0 GEADRO CCN(C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H]1CC[NH2+]C1 ZINC000891594881 654301865 /nfs/dbraw/zinc/30/18/65/654301865.db2.gz VDIIDQCKYAAVHE-ZDUSSCGKSA-N 1 0 393.289 2.128 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@@H]1C(F)(F)F ZINC000891618592 654302904 /nfs/dbraw/zinc/30/29/04/654302904.db2.gz REBUPZDYTUKPKK-YUMQZZPRSA-N 1 0 390.353 2.483 20 0 GEADRO O=c1ccn(C[NH+]2CCN([C@H]3CCOC3)CC2)c2c(Br)cccc12 ZINC000853553005 654302964 /nfs/dbraw/zinc/30/29/64/654302964.db2.gz LONKRVIGAYHCLF-AWEZNQCLSA-N 1 0 392.297 2.128 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000891651497 654305018 /nfs/dbraw/zinc/30/50/18/654305018.db2.gz OEBRFGUBXRBYMX-IONNQARKSA-N 1 0 376.770 2.033 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(I)cc1 ZINC000904274061 654306712 /nfs/dbraw/zinc/30/67/12/654306712.db2.gz IGRUPPIGVVPPPY-CYBMUJFWSA-N 1 0 389.237 2.133 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Br)ncc1Cl ZINC000833558992 654307732 /nfs/dbraw/zinc/30/77/32/654307732.db2.gz IYAKSWJOYXAMKF-JTQLQIEISA-N 1 0 376.682 2.074 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000904322232 654307780 /nfs/dbraw/zinc/30/77/80/654307780.db2.gz SVOIDDWPGRMTMT-CQSZACIVSA-N 1 0 384.933 2.345 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000904322231 654307860 /nfs/dbraw/zinc/30/78/60/654307860.db2.gz SVOIDDWPGRMTMT-AWEZNQCLSA-N 1 0 384.933 2.345 20 0 GEADRO COc1cc(Br)c(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1O ZINC000904392636 654308942 /nfs/dbraw/zinc/30/89/42/654308942.db2.gz WEPIDHGAHWJADU-CYBMUJFWSA-N 1 0 385.302 2.493 20 0 GEADRO CCCS(=O)(=O)NC1CCN(c2cc[nH+]c(C)c2Br)CC1 ZINC000891766271 654310629 /nfs/dbraw/zinc/31/06/29/654310629.db2.gz YISVYIPZYXMNAH-UHFFFAOYSA-N 1 0 376.320 2.451 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)C[C@]2(C)C1 ZINC000904437842 654310676 /nfs/dbraw/zinc/31/06/76/654310676.db2.gz VIZJTBMMWVTUNQ-HWPZZCPQSA-N 1 0 384.249 2.337 20 0 GEADRO Cn1cc(S(=O)(=O)NC2CCC(C)([NH+]3CCC3)CC2)c(C(F)(F)F)n1 ZINC000921719908 654310852 /nfs/dbraw/zinc/31/08/52/654310852.db2.gz WBFXOMQGLAHUER-UHFFFAOYSA-N 1 0 380.436 2.124 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H]2CN(C)CCN2C)c(C)cc1I ZINC000921725717 654312583 /nfs/dbraw/zinc/31/25/83/654312583.db2.gz SGCKVPBWMOLEGA-OAHLLOKOSA-N 1 0 387.309 2.243 20 0 GEADRO CS(=O)(=O)c1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904474090 654312011 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Brc1cnn(Cc2noc([C@@H]3CC[NH2+][C@H]([C@@H]4CCCO4)C3)n2)c1 ZINC000904619405 654314493 /nfs/dbraw/zinc/31/44/93/654314493.db2.gz ZRJXPOLKIFFNBY-WXHSDQCUSA-N 1 0 382.262 2.092 20 0 GEADRO CC1(C)CC[C@@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)[NH2+]C1 ZINC000891855688 654315433 /nfs/dbraw/zinc/31/54/33/654315433.db2.gz LYZCTOFRPWOMOE-ZDUSSCGKSA-N 1 0 387.933 2.321 20 0 GEADRO COc1nc(-c2noc(-c3ccc4c(n3)C[NH2+]CC4)n2)ncc1Br ZINC000904682743 654316077 /nfs/dbraw/zinc/31/60/77/654316077.db2.gz KIAAXUZWIALLNJ-UHFFFAOYSA-N 1 0 389.213 2.005 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccc(I)cc2Cl)C1 ZINC000891866625 654316213 /nfs/dbraw/zinc/31/62/13/654316213.db2.gz DRVAADIWZWIHJK-DKTWLAJQSA-N 1 0 393.656 2.481 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000872214926 654317064 /nfs/dbraw/zinc/31/70/64/654317064.db2.gz KESNEKMZOTZOGW-MKBNYLNASA-N 1 0 378.296 2.297 20 0 GEADRO Cc1cccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c1Br ZINC000921747092 654317581 /nfs/dbraw/zinc/31/75/81/654317581.db2.gz LXIVWGQIUAIPBZ-KRWDZBQOSA-N 1 0 382.346 2.254 20 0 GEADRO [NH3+]CCN1CCC[C@@H](c2nc(Cc3cc(F)cc(Br)c3)no2)C1=O ZINC000904711922 654317729 /nfs/dbraw/zinc/31/77/29/654317729.db2.gz HLJAYFFCXZQFAK-ZDUSSCGKSA-N 1 0 397.248 2.227 20 0 GEADRO C[C@@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)[C@H]1OCCc2sccc21 ZINC000891916301 654317961 /nfs/dbraw/zinc/31/79/61/654317961.db2.gz XWJIBLPNCTVWOE-QLJPJBMISA-N 1 0 378.523 2.434 20 0 GEADRO COCC1(c2noc(-c3cc(Br)cn(CC[NH3+])c3=O)n2)CCCC1 ZINC000904733085 654318664 /nfs/dbraw/zinc/31/86/64/654318664.db2.gz SLXWKMFPAJXJKA-UHFFFAOYSA-N 1 0 397.273 2.078 20 0 GEADRO CS(=O)(=O)c1ccc(-c2noc(-c3ccc4c(c3)OCC[NH2+]C4)n2)s1 ZINC000904734473 654318700 /nfs/dbraw/zinc/31/87/00/654318700.db2.gz ZFGSEOALXLCOJH-UHFFFAOYSA-N 1 0 377.447 2.351 20 0 GEADRO O=C1OCC[C@H]1CCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000872244863 654319534 /nfs/dbraw/zinc/31/95/34/654319534.db2.gz UCDOTFRRBVOEDA-GFCCVEGCSA-N 1 0 390.299 2.156 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000891950346 654320066 /nfs/dbraw/zinc/32/00/66/654320066.db2.gz KWBPFAKSOHELOL-RDTXWAMCSA-N 1 0 398.320 2.347 20 0 GEADRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000872273661 654321142 /nfs/dbraw/zinc/32/11/42/654321142.db2.gz VWVGKAOAHVAUII-KCQAQPDRSA-N 1 0 385.302 2.213 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CC[NH2+]CCC1(C)C)c1cccc(Br)c1 ZINC000872300559 654322302 /nfs/dbraw/zinc/32/23/02/654322302.db2.gz KPWOHCKCOMAEAA-OAHLLOKOSA-N 1 0 382.302 2.227 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000892004786 654323312 /nfs/dbraw/zinc/32/33/12/654323312.db2.gz HWTMIIATELYOLA-KGLIPLIRSA-N 1 0 376.284 2.127 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC1 ZINC000872336878 654323449 /nfs/dbraw/zinc/32/34/49/654323449.db2.gz OGPNVKGWSYSIHX-UHFFFAOYSA-N 1 0 385.917 2.377 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905008407 654326401 /nfs/dbraw/zinc/32/64/01/654326401.db2.gz CAOHJJFFQRXGLT-SFHVURJKSA-N 1 0 394.313 2.070 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCC1([NH3+])CCC1 ZINC000892054784 654326884 /nfs/dbraw/zinc/32/68/84/654326884.db2.gz VYGUFZXJXZSWJE-ZDUSSCGKSA-N 1 0 376.284 2.256 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892078135 654327624 /nfs/dbraw/zinc/32/76/24/654327624.db2.gz HPTGBLWMULCVSL-ZDUSSCGKSA-N 1 0 384.318 2.136 20 0 GEADRO Cc1nc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(Br)n1C ZINC000804950020 654327819 /nfs/dbraw/zinc/32/78/19/654327819.db2.gz LAXDLHDRCAQOEQ-GHMZBOCLSA-N 1 0 393.351 2.032 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000872375821 654328260 /nfs/dbraw/zinc/32/82/60/654328260.db2.gz TXRIZFSCYJYILV-UHFFFAOYSA-N 1 0 377.532 2.100 20 0 GEADRO O[C@H](C[NH2+]CC1(c2cccc(Br)c2)CCC1)C[C@@]1(O)CCOC1 ZINC000905062711 654328441 /nfs/dbraw/zinc/32/84/41/654328441.db2.gz NRSLHDLXIVPYJG-WMZOPIPTSA-N 1 0 384.314 2.363 20 0 GEADRO C[C@@H]1Cc2cc(C[NH2+]C3CCN(S(=O)(=O)C(F)(F)F)CC3)ccc2O1 ZINC000921830048 654328511 /nfs/dbraw/zinc/32/85/11/654328511.db2.gz HSEOEKBOJUSUSR-LLVKDONJSA-N 1 0 378.416 2.414 20 0 GEADRO C[C@H]1c2sccc2CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000892108045 654328798 /nfs/dbraw/zinc/32/87/98/654328798.db2.gz PDGNNKOEKDBYDU-AAEUAGOBSA-N 1 0 376.448 2.213 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CCC1)C[C@]1(O)CCOC1 ZINC000905063186 654328884 /nfs/dbraw/zinc/32/88/84/654328884.db2.gz UZIKXRQAMMAGLQ-FUHWJXTLSA-N 1 0 384.314 2.363 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)CC1(O)CCCC1 ZINC000905064365 654328964 /nfs/dbraw/zinc/32/89/64/654328964.db2.gz JBBZGOXANVGSQD-CYBMUJFWSA-N 1 0 386.286 2.366 20 0 GEADRO Cc1nc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(Br)n1C ZINC000804988642 654331497 /nfs/dbraw/zinc/33/14/97/654331497.db2.gz GGFBFEFRAJCKMV-PHIMTYICSA-N 1 0 393.351 2.032 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513085 654331692 /nfs/dbraw/zinc/33/16/92/654331692.db2.gz FHIUDUJNBOMBRS-LSDHHAIUSA-N 1 0 377.551 2.036 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513082 654331723 /nfs/dbraw/zinc/33/17/23/654331723.db2.gz FHIUDUJNBOMBRS-CABCVRRESA-N 1 0 377.551 2.036 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cnn(-c3ccccc3)c1Br)C2 ZINC000834526604 654331847 /nfs/dbraw/zinc/33/18/47/654331847.db2.gz SPDSKLNVPIHJGY-UHFFFAOYSA-N 1 0 375.270 2.413 20 0 GEADRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905122657 654333192 /nfs/dbraw/zinc/33/31/92/654333192.db2.gz BJHRQUQHPVPKLW-RBSFLKMASA-N 1 0 378.604 2.252 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCC1CCC(S(C)(=O)=O)CC1)c1cccs1 ZINC000905134643 654333434 /nfs/dbraw/zinc/33/34/34/654333434.db2.gz FKBZWMNPUYBHPR-YMAMQOFZSA-N 1 0 387.571 2.253 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000905135097 654333579 /nfs/dbraw/zinc/33/35/79/654333579.db2.gz UXRBRXIZGLNWDN-KKUMJFAQSA-N 1 0 376.316 2.428 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCC1CCC(S(C)(=O)=O)CC1)c1cccs1 ZINC000905134636 654333647 /nfs/dbraw/zinc/33/36/47/654333647.db2.gz FKBZWMNPUYBHPR-NRXISQOPSA-N 1 0 387.571 2.253 20 0 GEADRO Cn1cc(C(=O)NCC2([NH+](C)C)CCCCC2)c(I)n1 ZINC000905154719 654334992 /nfs/dbraw/zinc/33/49/92/654334992.db2.gz JLMGKXGWGPCKCV-UHFFFAOYSA-N 1 0 390.269 2.019 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000834592733 654337122 /nfs/dbraw/zinc/33/71/22/654337122.db2.gz BIELXNMTHLDCTE-RYUDHWBXSA-N 1 0 378.523 2.314 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ncc(Br)cn1 ZINC000892286394 654338359 /nfs/dbraw/zinc/33/83/59/654338359.db2.gz KJTMRSJFFLRZQD-FRRDWIJNSA-N 1 0 384.322 2.405 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C[C@]1(O)CCOC1 ZINC000905203254 654338419 /nfs/dbraw/zinc/33/84/19/654338419.db2.gz PPYXWOFCBZIQGR-HACGYAERSA-N 1 0 375.296 2.064 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1(O)CCOCC1 ZINC000905203961 654338496 /nfs/dbraw/zinc/33/84/96/654338496.db2.gz TWCYRYZDYYUVFZ-BLLLJJGKSA-N 1 0 375.296 2.064 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)CCO2 ZINC000905201776 654338658 /nfs/dbraw/zinc/33/86/58/654338658.db2.gz PHLUBWWHIMIYSD-RCBQFDQVSA-N 1 0 394.320 2.353 20 0 GEADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872450058 654339378 /nfs/dbraw/zinc/33/93/78/654339378.db2.gz RLQMJDXIHIUJIG-DEOSSOPVSA-N 1 0 391.559 2.204 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892326111 654340709 /nfs/dbraw/zinc/34/07/09/654340709.db2.gz SUIKZRQYXNQAKH-CYBMUJFWSA-N 1 0 384.318 2.136 20 0 GEADRO CC[C@H]1CN(C(=O)c2cn(-c3ccccc3Br)nn2)CC[C@@H]1[NH3+] ZINC000834641875 654340569 /nfs/dbraw/zinc/34/05/69/654340569.db2.gz OALGOTWENRWUGZ-AAEUAGOBSA-N 1 0 378.274 2.229 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C[C@@]1(O)CCOC1 ZINC000905230897 654342055 /nfs/dbraw/zinc/34/20/55/654342055.db2.gz OLVQXUXOZWIAJX-KEYYUXOJSA-N 1 0 375.296 2.064 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000892355516 654342080 /nfs/dbraw/zinc/34/20/80/654342080.db2.gz CPZGPOKPILMVNI-ZDUSSCGKSA-N 1 0 384.322 2.104 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892408296 654344688 /nfs/dbraw/zinc/34/46/88/654344688.db2.gz OUTPMSUVIFQHGF-MRXNPFEDSA-N 1 0 394.317 2.247 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)s2)CCC1)C1(O)CCOCC1 ZINC000905257729 654345325 /nfs/dbraw/zinc/34/53/25/654345325.db2.gz VZWRZFGIMZFFDW-LBPRGKRZSA-N 1 0 390.343 2.424 20 0 GEADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000892425443 654345658 /nfs/dbraw/zinc/34/56/58/654345658.db2.gz BLGLTDVLCIGKOH-XSBNRXJRSA-N 1 0 376.298 2.481 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905258556 654345851 /nfs/dbraw/zinc/34/58/51/654345851.db2.gz YMUSRDJPFMNGDM-DOMZBBRYSA-N 1 0 381.325 2.431 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000892437397 654346493 /nfs/dbraw/zinc/34/64/93/654346493.db2.gz KYIKGCGVVALOFK-BFYDXBDKSA-N 1 0 398.345 2.417 20 0 GEADRO O[C@@H](C[NH2+]CCc1ccc(Br)cc1Cl)C[C@@]1(O)CCOC1 ZINC000905271233 654346873 /nfs/dbraw/zinc/34/68/73/654346873.db2.gz AYOCKGONXNIMMZ-HIFRSBDPSA-N 1 0 378.694 2.137 20 0 GEADRO O=C(NCc1ccccc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892458200 654347015 /nfs/dbraw/zinc/34/70/15/654347015.db2.gz VUHVTCIHESCKLP-HOTGVXAUSA-N 1 0 382.302 2.190 20 0 GEADRO Cc1cccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)c1Br ZINC000921960123 654347700 /nfs/dbraw/zinc/34/77/00/654347700.db2.gz CMXCEWWHFZEDDT-UHFFFAOYSA-N 1 0 394.317 2.244 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]C[C@@H]2CC23CCSCC3)CCC1 ZINC000905288624 654347850 /nfs/dbraw/zinc/34/78/50/654347850.db2.gz NJPGNXMFYDWVAB-GJZGRUSLSA-N 1 0 390.615 2.111 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H](O)CCC2(O)CCC2)c1 ZINC000905286020 654347947 /nfs/dbraw/zinc/34/79/47/654347947.db2.gz LLYQCKGMPNBYGD-HNNXBMFYSA-N 1 0 375.918 2.279 20 0 GEADRO O=C(NCCc1ccccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892504876 654348753 /nfs/dbraw/zinc/34/87/53/654348753.db2.gz DMKWYNOZGLPXSO-SJORKVTESA-N 1 0 396.329 2.232 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000834809437 654349627 /nfs/dbraw/zinc/34/96/27/654349627.db2.gz QWCIFFUSIMYVEG-CYBMUJFWSA-N 1 0 387.933 2.372 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000834813329 654349982 /nfs/dbraw/zinc/34/99/82/654349982.db2.gz LFBYWMVEDGEMKO-LLVKDONJSA-N 1 0 375.922 2.274 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC[NH3+])ccc1Cl ZINC000834813049 654350008 /nfs/dbraw/zinc/35/00/08/654350008.db2.gz CHHYURGGONKGOM-LBPRGKRZSA-N 1 0 375.922 2.228 20 0 GEADRO COCCN(Cc1ccc(F)cc1Cl)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905336059 654351450 /nfs/dbraw/zinc/35/14/50/654351450.db2.gz NACJUTFEDQDAHP-UHFFFAOYSA-N 1 0 378.897 2.257 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000905337082 654351495 /nfs/dbraw/zinc/35/14/95/654351495.db2.gz XZRBRRBLJQOUFE-UHFFFAOYSA-N 1 0 386.945 2.307 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000834829488 654351776 /nfs/dbraw/zinc/35/17/76/654351776.db2.gz COLNQNJGFUBORA-ZDUSSCGKSA-N 1 0 397.875 2.081 20 0 GEADRO COC[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000905339029 654351926 /nfs/dbraw/zinc/35/19/26/654351926.db2.gz MQQHNHFWWDCVPQ-HNNXBMFYSA-N 1 0 380.432 2.312 20 0 GEADRO CN1CC[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000905343759 654352311 /nfs/dbraw/zinc/35/23/11/654352311.db2.gz SQCYDKCSXYRPFL-SJORKVTESA-N 1 0 389.924 2.143 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000905355730 654352552 /nfs/dbraw/zinc/35/25/52/654352552.db2.gz BRUSUDSDROBYQF-AWEZNQCLSA-N 1 0 388.331 2.243 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000905353456 654352720 /nfs/dbraw/zinc/35/27/20/654352720.db2.gz GFXHRFPWRUEGPC-NSHDSACASA-N 1 0 381.267 2.016 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@H]3CC[NH2+]C34CCCC4)cc2N1 ZINC000905352898 654352734 /nfs/dbraw/zinc/35/27/34/654352734.db2.gz BSARITKCXJAJSL-HNNXBMFYSA-N 1 0 383.901 2.178 20 0 GEADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1csc(I)n1 ZINC000834845059 654352970 /nfs/dbraw/zinc/35/29/70/654352970.db2.gz VRGPZGPWPDDTKL-UHFFFAOYSA-N 1 0 391.278 2.494 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000905359166 654352903 /nfs/dbraw/zinc/35/29/03/654352903.db2.gz LSZGOSAYJSARPR-LLVKDONJSA-N 1 0 388.946 2.448 20 0 GEADRO CCn1c(C[NH2+]C[C@]2(OC)CCOC2)nc(Br)c1Br ZINC000922000676 654353057 /nfs/dbraw/zinc/35/30/57/654353057.db2.gz YYGLMQUFVWBISF-GFCCVEGCSA-N 1 0 397.111 2.323 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834850854 654353446 /nfs/dbraw/zinc/35/34/46/654353446.db2.gz QUEWWVAQFHIQOP-ZFWWWQNUSA-N 1 0 376.469 2.180 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)Cc1cccc(Br)c1 ZINC000905365299 654353705 /nfs/dbraw/zinc/35/37/05/654353705.db2.gz IUEMJPOMLKSQLG-RDJZCZTQSA-N 1 0 386.330 2.246 20 0 GEADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000905386199 654355021 /nfs/dbraw/zinc/35/50/21/654355021.db2.gz ONEIVYCWGHRKLE-IQXANGCESA-N 1 0 382.328 2.395 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834879079 654355093 /nfs/dbraw/zinc/35/50/93/654355093.db2.gz PPKNRWBGZXPZLK-RBSFLKMASA-N 1 0 377.551 2.082 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000834878175 654355189 /nfs/dbraw/zinc/35/51/89/654355189.db2.gz JYVDHOHMRFDXNV-KFWWJZLASA-N 1 0 377.551 2.130 20 0 GEADRO Cc1cc(Br)c(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)s1 ZINC000835036734 654358446 /nfs/dbraw/zinc/35/84/46/654358446.db2.gz LESOZFZOXDGKHB-UHFFFAOYSA-N 1 0 395.388 2.418 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)C[C@]1(O)CCOC1 ZINC000905464596 654359220 /nfs/dbraw/zinc/35/92/20/654359220.db2.gz ISCJTGPKKVPMSY-TZMCWYRMSA-N 1 0 398.219 2.460 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)C[C@@]1(O)CCOC1 ZINC000905464592 654359238 /nfs/dbraw/zinc/35/92/38/654359238.db2.gz ISCJTGPKKVPMSY-JSGCOSHPSA-N 1 0 398.219 2.460 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000835045196 654359767 /nfs/dbraw/zinc/35/97/67/654359767.db2.gz GATMZKMFQMIQRG-AAEUAGOBSA-N 1 0 397.317 2.328 20 0 GEADRO O[C@H](CNCc1ccn(-c2ccc(Br)cc2)n1)C[NH+]1CCCC1 ZINC000905477604 654360013 /nfs/dbraw/zinc/36/00/13/654360013.db2.gz DOSDVOBJTGHYTI-QGZVFWFLSA-N 1 0 379.302 2.181 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)s2)[C@H]1OC ZINC000892706139 654360533 /nfs/dbraw/zinc/36/05/33/654360533.db2.gz YILOMAVWXHZHLG-IIAWOOMASA-N 1 0 376.544 2.061 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000835076021 654360959 /nfs/dbraw/zinc/36/09/59/654360959.db2.gz GXKSFRSNKWFSLP-CYBMUJFWSA-N 1 0 397.317 2.329 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000892718416 654361379 /nfs/dbraw/zinc/36/13/79/654361379.db2.gz LGHHARBPYIIYDP-ZYHUDNBSSA-N 1 0 390.299 2.133 20 0 GEADRO CSc1ccc(OC[C@H](O)C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000905508755 654361998 /nfs/dbraw/zinc/36/19/98/654361998.db2.gz KNLSWGFOEJMPJU-SWKXRBFHSA-N 1 0 387.567 2.341 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000835113424 654362188 /nfs/dbraw/zinc/36/21/88/654362188.db2.gz ICEYDSJBTQYFHC-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO O=C1[C@H]([NH2+]Cc2ncc(Br)cc2O)CCN1Cc1ccccc1 ZINC000892762840 654362885 /nfs/dbraw/zinc/36/28/85/654362885.db2.gz KQJBGICFWJCTPD-CQSZACIVSA-N 1 0 376.254 2.440 20 0 GEADRO CN(C)c1ccnc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000905524035 654363588 /nfs/dbraw/zinc/36/35/88/654363588.db2.gz DOFMNIKCLFXMFA-INIZCTEOSA-N 1 0 380.286 2.440 20 0 GEADRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000892772854 654363693 /nfs/dbraw/zinc/36/36/93/654363693.db2.gz SCDMNACQFVJRBP-ZVZYQTTQSA-N 1 0 386.945 2.126 20 0 GEADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c(=O)[nH]c1=O ZINC000905531336 654364506 /nfs/dbraw/zinc/36/45/06/654364506.db2.gz XOVGLHQNIBQIIP-CQSZACIVSA-N 1 0 396.285 2.290 20 0 GEADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc(Br)nn2)CC1 ZINC000892851524 654366919 /nfs/dbraw/zinc/36/69/19/654366919.db2.gz KZFBQUUDZGJZLW-UHFFFAOYSA-N 1 0 384.322 2.278 20 0 GEADRO CC(C)(C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)CS(C)(=O)=O ZINC000905577894 654366949 /nfs/dbraw/zinc/36/69/49/654366949.db2.gz HPHBTDWNXICXBX-CYBMUJFWSA-N 1 0 382.295 2.282 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)CS(C)(=O)=O ZINC000905580884 654367469 /nfs/dbraw/zinc/36/74/69/654367469.db2.gz VSGFQCDJUPMWKK-LBPRGKRZSA-N 1 0 383.432 2.106 20 0 GEADRO CCn1c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)nc(Br)c1Br ZINC000922099895 654367486 /nfs/dbraw/zinc/36/74/86/654367486.db2.gz NUVWPXBUYQWNJI-JGVFFNPUSA-N 1 0 394.111 2.185 20 0 GEADRO Cc1cccc(OC[C@@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000905587004 654368183 /nfs/dbraw/zinc/36/81/83/654368183.db2.gz NYEHEAATMKRZEC-HNNXBMFYSA-N 1 0 380.286 2.473 20 0 GEADRO C[C@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC[C@@H](C(F)(F)F)O1 ZINC000892878455 654368436 /nfs/dbraw/zinc/36/84/36/654368436.db2.gz UPDNZCIREROVIB-CABZTGNLSA-N 1 0 378.420 2.122 20 0 GEADRO CCOC(=O)c1ncc(Br)c(NC[C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000892891160 654369536 /nfs/dbraw/zinc/36/95/36/654369536.db2.gz AFWPTTLRUIWGGE-LBPRGKRZSA-N 1 0 385.306 2.228 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@H]2CCSC3(CCC3)C2)CCC1 ZINC000905610529 654370040 /nfs/dbraw/zinc/37/00/40/654370040.db2.gz SCHVXVUGQZGEBV-LSDHHAIUSA-N 1 0 390.615 2.396 20 0 GEADRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2nc(Br)c[nH]2)s1 ZINC000922128814 654370145 /nfs/dbraw/zinc/37/01/45/654370145.db2.gz ZHQAJUKQSHJVKB-YUMQZZPRSA-N 1 0 387.307 2.339 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)C2)C1 ZINC000854605439 654370351 /nfs/dbraw/zinc/37/03/51/654370351.db2.gz LPDNFAGAJYMTTD-HNNXBMFYSA-N 1 0 376.400 2.148 20 0 GEADRO O[C@@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1cccc(Br)c1 ZINC000905627353 654370899 /nfs/dbraw/zinc/37/08/99/654370899.db2.gz ZSBPBTOJTVWFBL-SJORKVTESA-N 1 0 399.329 2.032 20 0 GEADRO Cc1[nH+]ccc(N2CCN(c3nccn4cnnc34)[C@H](C)C2)c1Br ZINC000892948780 654371958 /nfs/dbraw/zinc/37/19/58/654371958.db2.gz AFUWRFCDRAEUJP-LLVKDONJSA-N 1 0 388.273 2.305 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNc1ncnc2c1c(Br)nn2C(C)(C)C ZINC000892954719 654372333 /nfs/dbraw/zinc/37/23/33/654372333.db2.gz AVGCZPGBSWMFSA-HNNXBMFYSA-N 1 0 385.310 2.068 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3csc(I)n3)C2)C1 ZINC000854659729 654373879 /nfs/dbraw/zinc/37/38/79/654373879.db2.gz QEKNOFYGTWITDZ-ZDUSSCGKSA-N 1 0 391.278 2.306 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000835235625 654373581 /nfs/dbraw/zinc/37/35/81/654373581.db2.gz COVNVEXRAUWYAH-UHFFFAOYSA-N 1 0 385.306 2.137 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000854651557 654373699 /nfs/dbraw/zinc/37/36/99/654373699.db2.gz DQEKAZROIDURFR-MFKMUULPSA-N 1 0 389.315 2.017 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3csc(I)n3)C2)C1 ZINC000854659728 654374078 /nfs/dbraw/zinc/37/40/78/654374078.db2.gz QEKNOFYGTWITDZ-CYBMUJFWSA-N 1 0 391.278 2.306 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)CCS2 ZINC000905694093 654375008 /nfs/dbraw/zinc/37/50/08/654375008.db2.gz FGXCQHUCCJCBRH-QRHJNKNDSA-N 1 0 385.551 2.433 20 0 GEADRO CNC(=O)[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)Cc1ccc(F)cc1C ZINC000922206238 654375680 /nfs/dbraw/zinc/37/56/80/654375680.db2.gz BVHZBGMLGWRQIZ-GFCCVEGCSA-N 1 0 383.265 2.314 20 0 GEADRO OCC[NH2+]C1CCN(c2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000893019617 654376253 /nfs/dbraw/zinc/37/62/53/654376253.db2.gz AQDGWIKWQXXPGM-UHFFFAOYSA-N 1 0 377.286 2.457 20 0 GEADRO O=C(NCc1cc(Br)no1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000854707289 654376410 /nfs/dbraw/zinc/37/64/10/654376410.db2.gz MBNJQZMFMNPCPE-CYBMUJFWSA-N 1 0 379.258 2.361 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000835310559 654379272 /nfs/dbraw/zinc/37/92/72/654379272.db2.gz HRFNKKJWAVEZKX-LBPRGKRZSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CC(C[NH+](C)C)C2)cc1 ZINC000854725042 654379482 /nfs/dbraw/zinc/37/94/82/654379482.db2.gz YBECIBACSKYCJL-OAHLLOKOSA-N 1 0 379.302 2.302 20 0 GEADRO Cc1nc([C@@H]2C[C@@H](O)[C@@H](C[NH2+]Cc3nc(C)c(Br)s3)C2)n[nH]1 ZINC000922268659 654380291 /nfs/dbraw/zinc/38/02/91/654380291.db2.gz QITXYNMOMLDELP-HBNTYKKESA-N 1 0 386.319 2.285 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872616065 654381946 /nfs/dbraw/zinc/38/19/46/654381946.db2.gz XOCBXSUFBPBKFO-NWDGAFQWSA-N 1 0 398.834 2.188 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C[C@@H]1C(F)(F)F ZINC000893101024 654382109 /nfs/dbraw/zinc/38/21/09/654382109.db2.gz FCJMMJKRSHAIFV-XQQFMLRXSA-N 1 0 385.448 2.311 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000922321318 654383617 /nfs/dbraw/zinc/38/36/17/654383617.db2.gz YKXXZKBAJRVRLA-GRYCIOLGSA-N 1 0 375.254 2.320 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000922326317 654383900 /nfs/dbraw/zinc/38/39/00/654383900.db2.gz NSQBGJUOMLORLY-UHFFFAOYSA-N 1 0 387.933 2.326 20 0 GEADRO COC(=O)[C@@]1(C)C[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C[C@@H]1C ZINC000872635861 654384218 /nfs/dbraw/zinc/38/42/18/654384218.db2.gz YQDWOAWLJMTPLP-GTNSWQLSSA-N 1 0 394.269 2.248 20 0 GEADRO CC1([NH+]2CCCC2)CCN(Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000872644411 654384949 /nfs/dbraw/zinc/38/49/49/654384949.db2.gz HVXBYSUTUAHUSE-UHFFFAOYSA-N 1 0 383.587 2.418 20 0 GEADRO NC(=O)[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1ccc(Br)cc1 ZINC000905852532 654385137 /nfs/dbraw/zinc/38/51/37/654385137.db2.gz FTSMMHSITHYHSY-RBSFLKMASA-N 1 0 384.343 2.145 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000872664136 654387401 /nfs/dbraw/zinc/38/74/01/654387401.db2.gz LZMFBIANAMRENA-STQMWFEESA-N 1 0 389.315 2.315 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000872665709 654387974 /nfs/dbraw/zinc/38/79/74/654387974.db2.gz QITCXCJZPDAKTM-GJZGRUSLSA-N 1 0 383.901 2.082 20 0 GEADRO O=C1[C@H]([NH2+]Cc2ncc(Br)cc2O)CCCN1CC(F)(F)F ZINC000893207498 654389080 /nfs/dbraw/zinc/38/90/80/654389080.db2.gz LUUYWWUAJSGPKI-SECBINFHSA-N 1 0 382.180 2.193 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000893209562 654389481 /nfs/dbraw/zinc/38/94/81/654389481.db2.gz KTHIIILGWMBIAF-GHJJGOHKSA-N 1 0 388.892 2.164 20 0 GEADRO O[C@H](CCC1(O)CCC1)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000905906410 654389829 /nfs/dbraw/zinc/38/98/29/654389829.db2.gz KBJYZHKSTBRBEH-OAHLLOKOSA-N 1 0 384.318 2.022 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000855321911 654410899 /nfs/dbraw/zinc/41/08/99/654410899.db2.gz BVWCNICSQFVVCF-UMNHJUIQSA-N 1 0 380.124 2.435 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2)C1 ZINC000893224172 654390314 /nfs/dbraw/zinc/39/03/14/654390314.db2.gz ZSZIUQZCJZRXNZ-JTQLQIEISA-N 1 0 381.723 2.474 20 0 GEADRO O[C@H](CCC1(O)CCC1)C[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000905917639 654390744 /nfs/dbraw/zinc/39/07/44/654390744.db2.gz DULRCTJUBOACIR-OLZOCXBDSA-N 1 0 378.296 2.379 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(CN3C(=O)c4ccc(Br)cc4C3=O)CC[C@H]21 ZINC000872722002 654392881 /nfs/dbraw/zinc/39/28/81/654392881.db2.gz AMNVXWJKZUBFQG-IAQYHMDHSA-N 1 0 378.270 2.029 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(CN3C(=O)N[C@@](C)(c4ccc(Cl)s4)C3=O)CC[C@@H]21 ZINC000872725445 654393507 /nfs/dbraw/zinc/39/35/07/654393507.db2.gz FTEMCIOYKHOSAO-PEBVRCNWSA-N 1 0 382.917 2.152 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000893283466 654395394 /nfs/dbraw/zinc/39/53/94/654395394.db2.gz LNNSFMYWKIOYAR-GDBMZVCRSA-N 1 0 398.301 2.133 20 0 GEADRO CC[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)OC(C)(C)C ZINC000922599160 654402662 /nfs/dbraw/zinc/40/26/62/654402662.db2.gz MIYBWKXXXCDSFD-GFCCVEGCSA-N 1 0 376.906 2.445 20 0 GEADRO CO[C@]1(C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)CCS(=O)(=O)C1 ZINC000922614952 654403109 /nfs/dbraw/zinc/40/31/09/654403109.db2.gz GBLWODUIWBNIJL-KRWDZBQOSA-N 1 0 383.901 2.127 20 0 GEADRO Cc1c[nH+]ccc1N1CCC(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1 ZINC000855271179 654405784 /nfs/dbraw/zinc/40/57/84/654405784.db2.gz CMLNWCHQIPMCOO-RUZDIDTESA-N 1 0 377.432 2.034 20 0 GEADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000922687199 654407673 /nfs/dbraw/zinc/40/76/73/654407673.db2.gz SJFHTEDYXCXVQY-UHFFFAOYSA-N 1 0 381.519 2.216 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@]23CCC[C@H]2OCC3)cc1Br ZINC000922692361 654408083 /nfs/dbraw/zinc/40/80/83/654408083.db2.gz OKYLCANTQXRVKO-HUUCEWRRSA-N 1 0 389.315 2.145 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NC[C@]1(C)CC1(Cl)Cl)C2 ZINC000922709376 654408673 /nfs/dbraw/zinc/40/86/73/654408673.db2.gz MDYOVWFRHKKQCU-XYTFPVCRSA-N 1 0 378.344 2.349 20 0 GEADRO Fc1cccc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1I ZINC000922725735 654410276 /nfs/dbraw/zinc/41/02/76/654410276.db2.gz MEAFGKQMNLMFER-MDZLAQPJSA-N 1 0 377.197 2.324 20 0 GEADRO C[NH+](C)CCn1ccc2ccc(NS(=O)(=O)N=S3(=O)CCCC3)cc21 ZINC000906057676 654410544 /nfs/dbraw/zinc/41/05/44/654410544.db2.gz LFOKJRQCMHOYAH-UHFFFAOYSA-N 1 0 384.527 2.121 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000906058863 654410970 /nfs/dbraw/zinc/41/09/70/654410970.db2.gz XYZJWTOBEDQHJV-QHCPKHFHSA-N 1 0 391.584 2.052 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000906058565 654410937 /nfs/dbraw/zinc/41/09/37/654410937.db2.gz XPGKNDJEBIZSTN-QFIPXVFZSA-N 1 0 383.923 2.055 20 0 GEADRO Cc1sc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1Br ZINC000873052749 654411836 /nfs/dbraw/zinc/41/18/36/654411836.db2.gz VPXSYWAWQYOLAD-CQSZACIVSA-N 1 0 388.375 2.315 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000922824578 654415308 /nfs/dbraw/zinc/41/53/08/654415308.db2.gz XLIVRHMVFAJILH-LLVKDONJSA-N 1 0 379.322 2.219 20 0 GEADRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000922824622 654415404 /nfs/dbraw/zinc/41/54/04/654415404.db2.gz UETRBDLRCJUZEN-ZDUSSCGKSA-N 1 0 377.384 2.461 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000873108153 654415974 /nfs/dbraw/zinc/41/59/74/654415974.db2.gz UPRKHITYMXKYEG-QWRGUYRKSA-N 1 0 377.794 2.491 20 0 GEADRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000922828247 654416119 /nfs/dbraw/zinc/41/61/19/654416119.db2.gz ZUHWARHLNNICOD-ZDUSSCGKSA-N 1 0 377.384 2.461 20 0 GEADRO Cc1[nH]c(=S)sc1CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000855400447 654416686 /nfs/dbraw/zinc/41/66/86/654416686.db2.gz BMGWHYDXAUEBEX-HNNXBMFYSA-N 1 0 377.535 2.166 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000922852062 654416821 /nfs/dbraw/zinc/41/68/21/654416821.db2.gz GHMVNELFAQPYOO-CYBMUJFWSA-N 1 0 384.322 2.166 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000922896351 654418905 /nfs/dbraw/zinc/41/89/05/654418905.db2.gz MRYHPRISUOQNQC-FZMZJTMJSA-N 1 0 375.254 2.320 20 0 GEADRO Cc1ccc(Br)c(F)c1C[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000873132488 654417899 /nfs/dbraw/zinc/41/78/99/654417899.db2.gz VNONDZROJRWEKL-UHFFFAOYSA-N 1 0 384.253 2.157 20 0 GEADRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cccc(F)c1I)C2 ZINC000873132837 654418099 /nfs/dbraw/zinc/41/80/99/654418099.db2.gz HPNVBFFXNGNQIC-SNVBAGLBSA-N 1 0 386.212 2.206 20 0 GEADRO CO[C@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000906213992 654422074 /nfs/dbraw/zinc/42/20/74/654422074.db2.gz CUPAWKODVABIQF-AWEZNQCLSA-N 1 0 391.331 2.427 20 0 GEADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000922972758 654422230 /nfs/dbraw/zinc/42/22/30/654422230.db2.gz KRCGXVNLMAHIAW-INIZCTEOSA-N 1 0 376.258 2.192 20 0 GEADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000922972760 654422251 /nfs/dbraw/zinc/42/22/51/654422251.db2.gz KRCGXVNLMAHIAW-MRXNPFEDSA-N 1 0 376.258 2.192 20 0 GEADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000922972074 654422424 /nfs/dbraw/zinc/42/24/24/654422424.db2.gz FTPGUYANJSKKGR-AWEZNQCLSA-N 1 0 382.258 2.167 20 0 GEADRO CN(C(=O)[C@@]1(C)CC1(Br)Br)c1cc(C[NH3+])ccn1 ZINC000906227507 654422404 /nfs/dbraw/zinc/42/24/04/654422404.db2.gz NEXKUFSALXAAFC-LLVKDONJSA-N 1 0 377.080 2.399 20 0 GEADRO CC(C)n1ncc(C(=O)N(C)c2cc(C[NH3+])ccn2)c1I ZINC000906227793 654422879 /nfs/dbraw/zinc/42/28/79/654422879.db2.gz UJUJEKODTGVHFB-UHFFFAOYSA-N 1 0 399.236 2.199 20 0 GEADRO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1c(I)cnn1C ZINC000873275630 654423608 /nfs/dbraw/zinc/42/36/08/654423608.db2.gz INOAPBIQZSLKBQ-NEPJUHHUSA-N 1 0 376.286 2.425 20 0 GEADRO CNC(=O)c1ccc(Cl)c(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873303821 654423987 /nfs/dbraw/zinc/42/39/87/654423987.db2.gz KWRDCFJNPONHOF-VHSXEESVSA-N 1 0 378.782 2.301 20 0 GEADRO CCC[NH+]1CCC(N(C)Cc2cn(C)nc2I)CC1 ZINC000893967127 654434421 /nfs/dbraw/zinc/43/44/21/654434421.db2.gz IODCSSDCYLCQOD-UHFFFAOYSA-N 1 0 376.286 2.331 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906434201 654436828 /nfs/dbraw/zinc/43/68/28/654436828.db2.gz BIEFZIZQZNMOQE-CYBMUJFWSA-N 1 0 392.301 2.490 20 0 GEADRO C[NH+](C)CCOC1CCN(Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894017917 654439328 /nfs/dbraw/zinc/43/93/28/654439328.db2.gz SNMNDHJLHWHWEN-UHFFFAOYSA-N 1 0 388.965 2.176 20 0 GEADRO COC(=O)[C@H]1[C@@H](C[NH+]2CCC(n3cc(Br)cn3)CC2)C1(F)F ZINC000894020466 654439601 /nfs/dbraw/zinc/43/96/01/654439601.db2.gz NSHJXVBCUDZBIP-VXGBXAGGSA-N 1 0 378.217 2.337 20 0 GEADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000894031677 654440738 /nfs/dbraw/zinc/44/07/38/654440738.db2.gz IDZRYOALHBKZKL-CFVMTHIKSA-N 1 0 390.343 2.013 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894074481 654444614 /nfs/dbraw/zinc/44/46/14/654444614.db2.gz QGQGPUFLUIHBBQ-PWSUYJOCSA-N 1 0 399.456 2.022 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000873651825 654444832 /nfs/dbraw/zinc/44/48/32/654444832.db2.gz XINSRUCVPOIRBR-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000873658757 654445326 /nfs/dbraw/zinc/44/53/26/654445326.db2.gz YYIDZSKRTRFJMI-UHFFFAOYSA-N 1 0 396.285 2.192 20 0 GEADRO CS(=O)(=O)CCSc1cc(Br)ccc1CN[C@H]1C[C@H]([NH3+])C1 ZINC000906516302 654445588 /nfs/dbraw/zinc/44/55/88/654445588.db2.gz BREZSKJRYLGFLX-JOCQHMNTSA-N 1 0 393.372 2.165 20 0 GEADRO Cn1cc(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)c(Br)n1 ZINC000923354352 654445891 /nfs/dbraw/zinc/44/58/91/654445891.db2.gz SUCMTNLIAXOSOZ-UHFFFAOYSA-N 1 0 384.322 2.104 20 0 GEADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000923355506 654445932 /nfs/dbraw/zinc/44/59/32/654445932.db2.gz NARBSXGEYYYRKC-DOMZBBRYSA-N 1 0 385.295 2.113 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873666023 654446248 /nfs/dbraw/zinc/44/62/48/654446248.db2.gz WUYAWPKFQPPAGL-UHFFFAOYSA-N 1 0 392.258 2.300 20 0 GEADRO COC(=O)c1cc(Br)c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000923358968 654446391 /nfs/dbraw/zinc/44/63/91/654446391.db2.gz NLFUMBIBNANBKG-NHYWBVRUSA-N 1 0 383.286 2.428 20 0 GEADRO Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000923357624 654446450 /nfs/dbraw/zinc/44/64/50/654446450.db2.gz ZBEXSPPNXSMCFM-UKRRQHHQSA-N 1 0 385.295 2.113 20 0 GEADRO COCC[NH2+]C1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923387253 654447850 /nfs/dbraw/zinc/44/78/50/654447850.db2.gz HWGZIWUQTQSISA-HNNXBMFYSA-N 1 0 377.312 2.434 20 0 GEADRO [NH3+]CC12CC(C1)CN2C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923392688 654448394 /nfs/dbraw/zinc/44/83/94/654448394.db2.gz ZJFUKPFEXXQWKE-JYHUIVOISA-N 1 0 375.694 2.265 20 0 GEADRO FC(F)(F)OCCCN1CC[NH2+]CCN(CCCOC(F)(F)F)CC1 ZINC000923395577 654449004 /nfs/dbraw/zinc/44/90/04/654449004.db2.gz TVJKEOROARKGSC-UHFFFAOYSA-N 1 0 381.361 2.047 20 0 GEADRO Cn1cc(C[NH2+]CCOc2ccccc2F)c(I)n1 ZINC000894142118 654449998 /nfs/dbraw/zinc/44/99/98/654449998.db2.gz YSKPMLGXASUNPW-UHFFFAOYSA-N 1 0 375.185 2.332 20 0 GEADRO Cn1ncc(I)c1CNCC(C)(C)[NH+]1CCCCC1 ZINC000894146813 654450137 /nfs/dbraw/zinc/45/01/37/654450137.db2.gz XYAPWVGFMIOUSG-UHFFFAOYSA-N 1 0 376.286 2.379 20 0 GEADRO Cc1nc2ccccc2n1CC[NH2+]Cc1cn(C)nc1I ZINC000894154212 654451287 /nfs/dbraw/zinc/45/12/87/654451287.db2.gz UYBVKQLJIWVHQK-UHFFFAOYSA-N 1 0 395.248 2.473 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C[C@H](O)COc1ccc(Cl)cc1Br)C2 ZINC000923428809 654452249 /nfs/dbraw/zinc/45/22/49/654452249.db2.gz ZYGUKWPHZWDANY-DETPVDSQSA-N 1 0 389.721 2.384 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000873718197 654453558 /nfs/dbraw/zinc/45/35/58/654453558.db2.gz MEIDZVWAZOOZJF-VIFPVBQESA-N 1 0 392.656 2.391 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873717918 654453584 /nfs/dbraw/zinc/45/35/84/654453584.db2.gz HJMHYEDJAPRBII-GHMZBOCLSA-N 1 0 390.242 2.050 20 0 GEADRO O=C(CN1CCNCC[NH2+]CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000923460551 654454021 /nfs/dbraw/zinc/45/40/21/654454021.db2.gz FMEDRYUINLUQKG-QGZVFWFLSA-N 1 0 385.339 2.152 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnc3ccccc3c2Br)C1 ZINC000873720796 654454052 /nfs/dbraw/zinc/45/40/52/654454052.db2.gz SEEJWUVMADSCKK-NSHDSACASA-N 1 0 391.269 2.004 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2Br)C1 ZINC000873720896 654454297 /nfs/dbraw/zinc/45/42/97/654454297.db2.gz WORGAJMDSPBCEO-QMMMGPOBSA-N 1 0 392.656 2.248 20 0 GEADRO [NH3+][C@]1(CO)CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000923475303 654454806 /nfs/dbraw/zinc/45/48/06/654454806.db2.gz RCMXRTZPTZWAMD-QGZVFWFLSA-N 1 0 377.286 2.192 20 0 GEADRO Cc1cc(OCC(=O)N(C)CCCN2CC[NH+](C)CC2)ccc1Br ZINC000906640062 654456067 /nfs/dbraw/zinc/45/60/67/654456067.db2.gz PNEQYWTVIJTCTH-UHFFFAOYSA-N 1 0 398.345 2.232 20 0 GEADRO COC(=O)[C@H]1[C@H](C[NH2+]CC(=O)Nc2ccc(Br)cc2C)C1(F)F ZINC000894208915 654456167 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CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906716632 654463875 /nfs/dbraw/zinc/46/38/75/654463875.db2.gz HERSAQBZEGMGBE-YNEHKIRRSA-N 1 0 396.285 2.184 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000894311102 654464146 /nfs/dbraw/zinc/46/41/46/654464146.db2.gz PXXRJWFHQIBIHC-UHFFFAOYSA-N 1 0 379.237 2.235 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1Br ZINC000906727422 654465164 /nfs/dbraw/zinc/46/51/64/654465164.db2.gz OIBGSFNSZAEYPC-OUAUKWLOSA-N 1 0 386.677 2.359 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C(C)=O)ccc2Br)CC1 ZINC000873811507 654467694 /nfs/dbraw/zinc/46/76/94/654467694.db2.gz ISPSAIFTNDSTPE-UHFFFAOYSA-N 1 0 396.285 2.144 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000894351345 654468080 /nfs/dbraw/zinc/46/80/80/654468080.db2.gz DGEHVWUBEKYNLR-NSHDSACASA-N 1 0 399.232 2.344 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc3c(cc1Br)CCC3)C2 ZINC000906752351 654468029 /nfs/dbraw/zinc/46/80/29/654468029.db2.gz JFUJMJKNYOTCQU-BPNCWPANSA-N 1 0 392.297 2.215 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(Br)c(F)cc1F)C2 ZINC000906752705 654468056 /nfs/dbraw/zinc/46/80/56/654468056.db2.gz NKQZKRRJKZACOZ-YIZRAAEISA-N 1 0 388.212 2.004 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906755253 654468364 /nfs/dbraw/zinc/46/83/64/654468364.db2.gz ANCFOPBSDIYPKV-OAHLLOKOSA-N 1 0 386.677 2.396 20 0 GEADRO Cc1nc(CC[NH2+]Cc2c(I)cnn2C)sc1C ZINC000894353032 654468401 /nfs/dbraw/zinc/46/84/01/654468401.db2.gz VHWFMVSPZCJDRW-UHFFFAOYSA-N 1 0 376.267 2.430 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000873813737 654468420 /nfs/dbraw/zinc/46/84/20/654468420.db2.gz SWOJNLLGCLXXTL-UHFFFAOYSA-N 1 0 396.285 2.191 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000873822275 654469242 /nfs/dbraw/zinc/46/92/42/654469242.db2.gz AQFGHQFFDYLWON-UHFFFAOYSA-N 1 0 384.274 2.095 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)cc1Br ZINC000906764594 654469111 /nfs/dbraw/zinc/46/91/11/654469111.db2.gz FUKBDTFBKMZGFC-QGZVFWFLSA-N 1 0 396.285 2.141 20 0 GEADRO COC(=O)c1cc(Br)c(N2CCOC3(CC[NH+](C)CC3)C2)nc1C ZINC000894362295 654469374 /nfs/dbraw/zinc/46/93/74/654469374.db2.gz VLDFMCPYTYVLCL-UHFFFAOYSA-N 1 0 398.301 2.240 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906765736 654469636 /nfs/dbraw/zinc/46/96/36/654469636.db2.gz POAHZEKZJYSOMU-OAHLLOKOSA-N 1 0 388.212 2.020 20 0 GEADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923581016 654469820 /nfs/dbraw/zinc/46/98/20/654469820.db2.gz GSKPTIWMCLQHIC-NSHDSACASA-N 1 0 394.324 2.336 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906770373 654470572 /nfs/dbraw/zinc/47/05/72/654470572.db2.gz IKGXHAPAEQCNPM-GOSISDBHSA-N 1 0 392.297 2.231 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906777416 654471145 /nfs/dbraw/zinc/47/11/45/654471145.db2.gz FCRSFUSWNBFNOB-VFZGTOFNSA-N 1 0 386.677 2.299 20 0 GEADRO Cn1cc(CNC[C@@H](c2ccccc2)[NH+](C)C)c(I)n1 ZINC000894382658 654471722 /nfs/dbraw/zinc/47/17/22/654471722.db2.gz YLYXISNVSBLZDD-AWEZNQCLSA-N 1 0 384.265 2.417 20 0 GEADRO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCc2c(F)cc(Br)cc2C1 ZINC000923628428 654472830 /nfs/dbraw/zinc/47/28/30/654472830.db2.gz PFBSQKLYRYNNPY-GFCCVEGCSA-N 1 0 377.279 2.028 20 0 GEADRO O=C(c1cc(Cl)ncc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856255899 654473697 /nfs/dbraw/zinc/47/36/97/654473697.db2.gz JRLCFQDHILEZSU-LLVKDONJSA-N 1 0 388.693 2.169 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2occc2Br)C1 ZINC000923652668 654473683 /nfs/dbraw/zinc/47/36/83/654473683.db2.gz QGSHRPAKMIHZQL-KGYLQXTDSA-N 1 0 393.303 2.092 20 0 GEADRO O=S(=O)(c1occc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923656600 654473886 /nfs/dbraw/zinc/47/38/86/654473886.db2.gz XOKCTMBXMDPLQL-LBPRGKRZSA-N 1 0 377.304 2.442 20 0 GEADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cnc(CC(F)(F)F)s2)NC(=O)NC1=O ZINC000894417749 654473960 /nfs/dbraw/zinc/47/39/60/654473960.db2.gz WFVLOFPYVCWOLI-LKFCYVNXSA-N 1 0 376.404 2.201 20 0 GEADRO C[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1cc(F)c(Br)cc1F ZINC000923659410 654474266 /nfs/dbraw/zinc/47/42/66/654474266.db2.gz IKRWMNJEFTYVBN-BDAKNGLRSA-N 1 0 383.258 2.460 20 0 GEADRO COc1cc(F)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000923663575 654474558 /nfs/dbraw/zinc/47/45/58/654474558.db2.gz XOTGORNLBQYGLG-RKDXNWHRSA-N 1 0 388.358 2.121 20 0 GEADRO O[C@@H]1C[C@H]2CN(c3ccnc(-c4ccc(Br)cc4)n3)CC[N@@H+]2C1 ZINC000894430533 654475510 /nfs/dbraw/zinc/47/55/10/654475510.db2.gz YSJZLZBHNJDMQS-LSDHHAIUSA-N 1 0 375.270 2.161 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000894435126 654475532 /nfs/dbraw/zinc/47/55/32/654475532.db2.gz KHXLLNXQFAAUJP-GJZGRUSLSA-N 1 0 385.917 2.122 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1c(Cl)ccc(F)c1F)CC2 ZINC000923686866 654476768 /nfs/dbraw/zinc/47/67/68/654476768.db2.gz AUWMJXVRXVKBCJ-SNVBAGLBSA-N 1 0 380.844 2.137 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCc2cnc(Cl)s2)CC1 ZINC000923692420 654477613 /nfs/dbraw/zinc/47/76/13/654477613.db2.gz AQIWVLKUNAMCJN-OKILXGFUSA-N 1 0 385.965 2.497 20 0 GEADRO O=C(NCc1cnc(Cl)s1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000923691570 654477647 /nfs/dbraw/zinc/47/76/47/654477647.db2.gz HXVAHSOIMHSMRJ-OAHLLOKOSA-N 1 0 380.901 2.357 20 0 GEADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873888471 654477791 /nfs/dbraw/zinc/47/77/91/654477791.db2.gz JFSFQZPMMGKAAR-LLVKDONJSA-N 1 0 398.301 2.167 20 0 GEADRO [NH3+][C@@]1(CO)CCCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000923696194 654477944 /nfs/dbraw/zinc/47/79/44/654477944.db2.gz UZRQDTWDNYMUBD-INIZCTEOSA-N 1 0 399.310 2.077 20 0 GEADRO Cn1ncc(I)c1CNCC1(C[NH+](C)C)CCCC1 ZINC000894464487 654478227 /nfs/dbraw/zinc/47/82/27/654478227.db2.gz NXZQYOYEEQXUKZ-UHFFFAOYSA-N 1 0 376.286 2.236 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000923701320 654478997 /nfs/dbraw/zinc/47/89/97/654478997.db2.gz ZREWFMZDKUDXFB-MNOVXSKESA-N 1 0 377.304 2.063 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000894474762 654479135 /nfs/dbraw/zinc/47/91/35/654479135.db2.gz FOGVEOQLTGZFJZ-UONOGXRCSA-N 1 0 375.254 2.320 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000894474761 654479197 /nfs/dbraw/zinc/47/91/97/654479197.db2.gz FOGVEOQLTGZFJZ-KGLIPLIRSA-N 1 0 375.254 2.320 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000894481053 654479674 /nfs/dbraw/zinc/47/96/74/654479674.db2.gz MOGQPPNKIXIOLH-GWCFXTLKSA-N 1 0 390.299 2.149 20 0 GEADRO O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923704592 654479619 /nfs/dbraw/zinc/47/96/19/654479619.db2.gz XYSKJDGTGSZIRT-NSHDSACASA-N 1 0 380.436 2.219 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873901210 654479818 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Cc1ncc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC000923742753 654482286 /nfs/dbraw/zinc/48/22/86/654482286.db2.gz BQOPYTQEARHREF-KGLIPLIRSA-N 1 0 379.507 2.123 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)cs1 ZINC000923744987 654482618 /nfs/dbraw/zinc/48/26/18/654482618.db2.gz KOGLIMVINGUBPH-LBPRGKRZSA-N 1 0 380.491 2.251 20 0 GEADRO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCc2cc(F)c(Br)cc2C1 ZINC000923748154 654482642 /nfs/dbraw/zinc/48/26/42/654482642.db2.gz SQMFMJWZLNBRJM-GFCCVEGCSA-N 1 0 377.279 2.028 20 0 GEADRO COc1cc(S(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)cnc1Cl ZINC000923751490 654482952 /nfs/dbraw/zinc/48/29/52/654482952.db2.gz XHVJDCAVLBJXNW-GFCCVEGCSA-N 1 0 381.885 2.460 20 0 GEADRO Cn1c(COC(=O)COC2CC[NH+](C)CC2)nc2ccc(Br)cc21 ZINC000923788602 654483406 /nfs/dbraw/zinc/48/34/06/654483406.db2.gz KHTPRWUFIOOTNJ-UHFFFAOYSA-N 1 0 396.285 2.490 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000894574999 654487876 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388.281 2.185 20 0 GEADRO CC[N@@H+]1CC[C@H](N2C(=O)N[C@H](c3ccc(OC)c(Br)c3)C2=O)C1 ZINC000925321890 654541385 /nfs/dbraw/zinc/54/13/85/654541385.db2.gz OUDQYFIATBNCDM-SMDDNHRTSA-N 1 0 382.258 2.145 20 0 GEADRO C[C@H]1[C@H](NC(=O)N[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000925340294 654542095 /nfs/dbraw/zinc/54/20/95/654542095.db2.gz JGFGTWLHKYTWMG-QOWREQOWSA-N 1 0 383.290 2.066 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2nscc2I)C1 ZINC000907430865 654542767 /nfs/dbraw/zinc/54/27/67/654542767.db2.gz AAINHDOGGNSBDC-VIFPVBQESA-N 1 0 379.267 2.350 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NC[C@H]2CC[N@@H+]2C)ccc1Cl ZINC000925395818 654543905 /nfs/dbraw/zinc/54/39/05/654543905.db2.gz ZTPGMABHLPVLSO-CYBMUJFWSA-N 1 0 388.921 2.196 20 0 GEADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4ncc(Br)cc43)C2=O)cn1 ZINC000925432703 654544383 /nfs/dbraw/zinc/54/43/83/654544383.db2.gz XVAMDNIWERWZCV-CVEARBPZSA-N 1 0 390.285 2.350 20 0 GEADRO COc1ccc(C[C@H](CO)CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1Br ZINC000925687682 654547805 /nfs/dbraw/zinc/54/78/05/654547805.db2.gz LXIUOWXMJBHMEB-QTUVYZQZSA-N 1 0 395.341 2.195 20 0 GEADRO Cn1cc(I)c(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925691053 654547972 /nfs/dbraw/zinc/54/79/72/654547972.db2.gz WHDYONJSOPWWEH-GXTWGEPZSA-N 1 0 388.297 2.283 20 0 GEADRO OC[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)Cc1ccc(F)c(Br)c1 ZINC000925690379 654548116 /nfs/dbraw/zinc/54/81/16/654548116.db2.gz VDLNFHVUWMXUDP-MCKLEBTQSA-N 1 0 383.305 2.325 20 0 GEADRO C[C@@H](C[C@@H]1COCC[NH2+]1)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000925775358 654549030 /nfs/dbraw/zinc/54/90/30/654549030.db2.gz PNDZVNXGWDMJIA-XJKSGUPXSA-N 1 0 379.302 2.491 20 0 GEADRO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(F)c(Br)c1 ZINC000925795995 654550234 /nfs/dbraw/zinc/55/02/34/654550234.db2.gz JRHSDUCYRDBLGT-CMPLNLGQSA-N 1 0 379.295 2.016 20 0 GEADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000925791881 654550367 /nfs/dbraw/zinc/55/03/67/654550367.db2.gz 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C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000927819164 654615758 /nfs/dbraw/zinc/61/57/58/654615758.db2.gz NGMAASJLXXEXAJ-RKDXNWHRSA-N 1 0 390.228 2.028 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000927820481 654615796 /nfs/dbraw/zinc/61/57/96/654615796.db2.gz UGSXFXFWHKBIIN-BXUZGUMPSA-N 1 0 394.313 2.238 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000927824874 654615884 /nfs/dbraw/zinc/61/58/84/654615884.db2.gz VLYDJGSPTFWISM-VXGBXAGGSA-N 1 0 398.301 2.148 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000927824691 654615937 /nfs/dbraw/zinc/61/59/37/654615937.db2.gz SJBPEJAEBMJREJ-NXEZZACHSA-N 1 0 375.803 2.242 20 0 GEADRO CSc1ccc(C)c(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000927846459 654617189 /nfs/dbraw/zinc/61/71/89/654617189.db2.gz QMWXVNOWSFHZMQ-NWDGAFQWSA-N 1 0 375.416 2.394 20 0 GEADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000927848956 654617348 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CC(C)Oc1cc(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)ccc1Br ZINC000927887900 654619814 /nfs/dbraw/zinc/61/98/14/654619814.db2.gz DSYWXSGTJYIADC-GFCCVEGCSA-N 1 0 398.301 2.372 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000927887211 654619875 /nfs/dbraw/zinc/61/98/75/654619875.db2.gz KREBFOCVVNNOMK-NSHDSACASA-N 1 0 391.269 2.133 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[C@@H]1C[NH3+] ZINC000927890285 654620338 /nfs/dbraw/zinc/62/03/38/654620338.db2.gz NVPNGRASMFFGMA-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])[C@@H](C)C3)cc2s1 ZINC000927893805 654620685 /nfs/dbraw/zinc/62/06/85/654620685.db2.gz PCUFKRMISNPFJU-WDEREUQCSA-N 1 0 378.523 2.400 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC[C@@H]1C[NH3+] ZINC000927893951 654620715 /nfs/dbraw/zinc/62/07/15/654620715.db2.gz IZBYFWITRXKNNP-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])[C@@H](C)C3)cc2s1 ZINC000927893803 654620765 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CC[N@H+](CCOc1ccc(Br)cc1)C[C@H](O)C1(O)CCOCC1 ZINC000929714729 654690547 /nfs/dbraw/zinc/69/05/47/654690547.db2.gz NUCNDMWUFNZVJJ-INIZCTEOSA-N 1 0 388.302 2.052 20 0 GEADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC000929749808 654691496 /nfs/dbraw/zinc/69/14/96/654691496.db2.gz LBTNIQLYVHGASH-OLZOCXBDSA-N 1 0 383.480 2.072 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(Br)CC2)[C@H](c2cnn(C)c2)C1 ZINC000910224809 654692804 /nfs/dbraw/zinc/69/28/04/654692804.db2.gz ZKWPKWCWEYUUDJ-GJZGRUSLSA-N 1 0 383.334 2.278 20 0 GEADRO O=C(Nc1nnc(-c2ccsc2)s1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929908717 654694746 /nfs/dbraw/zinc/69/47/46/654694746.db2.gz LOHHRWJVWKJZKM-QWHCGFSZSA-N 1 0 379.511 2.330 20 0 GEADRO O=C([C@H](O)c1cccc(Br)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000910366157 654697840 /nfs/dbraw/zinc/69/78/40/654697840.db2.gz AZVUUWFEJSGKLV-QGZVFWFLSA-N 1 0 397.313 2.196 20 0 GEADRO CS(=O)(=O)N1CC(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000930057586 654698214 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Cc1c(C(=O)N(C)C2CC[NH2+]CC2)nnn1-c1ccccc1Br ZINC000911692714 654729956 /nfs/dbraw/zinc/72/99/56/654729956.db2.gz UVWQWHRJYZCQJN-UHFFFAOYSA-N 1 0 378.274 2.162 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)c2nnn(-c3ccccc3Br)c2C)C1 ZINC000911735847 654731036 /nfs/dbraw/zinc/73/10/36/654731036.db2.gz DRFRMILAJNBWJW-GFCCVEGCSA-N 1 0 378.274 2.162 20 0 GEADRO Cc1c(C(=O)NC2(C[NH3+])CCCC2)nnn1-c1ccccc1Br ZINC000911800446 654732263 /nfs/dbraw/zinc/73/22/63/654732263.db2.gz QUDZPEVESNJIJN-UHFFFAOYSA-N 1 0 378.274 2.340 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cnc1C1CC1 ZINC000931187580 654732428 /nfs/dbraw/zinc/73/24/28/654732428.db2.gz WAZPNXGSOHSNSW-KGLIPLIRSA-N 1 0 380.286 2.315 20 0 GEADRO C[C@@H]1CCCN(C(=O)C[C@@H]2c3cccc(Br)c3NC2=O)[C@H]1C[NH3+] ZINC000911822619 654733062 /nfs/dbraw/zinc/73/30/62/654733062.db2.gz ILEKZWQWBHOFKF-QKCSRTOESA-N 1 0 380.286 2.461 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H]2c3cc(Br)ccc3NC2=O)C1 ZINC000911823711 654733257 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CNC(=O)c1cccc(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1Br ZINC000931406795 654741390 /nfs/dbraw/zinc/74/13/90/654741390.db2.gz QOPZYLMLMYWXDE-YGRLFVJLSA-N 1 0 395.301 2.413 20 0 GEADRO O=C(C[C@@]1(O)CCC[NH2+]C1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000912113666 654743049 /nfs/dbraw/zinc/74/30/49/654743049.db2.gz PXQSQYDPINPZSZ-KRWDZBQOSA-N 1 0 393.285 2.137 20 0 GEADRO CC(=O)Nc1ccc(Br)cc1NC(=O)COC1CC[NH+](C)CC1 ZINC000931479025 654743424 /nfs/dbraw/zinc/74/34/24/654743424.db2.gz IXPQDJLNQFIXBL-UHFFFAOYSA-N 1 0 384.274 2.457 20 0 GEADRO C[NH+](C)CC1(O)CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000931482448 654743437 /nfs/dbraw/zinc/74/34/37/654743437.db2.gz HTFZTYAVNCBYBV-UHFFFAOYSA-N 1 0 399.329 2.499 20 0 GEADRO COc1ccc(CN2CCC(O)(C[NH+](C)C)CC2)c(Br)c1OC ZINC000931485051 654743591 /nfs/dbraw/zinc/74/35/91/654743591.db2.gz XAVVGQQOKSEJAX-UHFFFAOYSA-N 1 0 387.318 2.355 20 0 GEADRO Cc1cc(NC(=O)[C@@H](C)N2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000931484739 654743610 /nfs/dbraw/zinc/74/36/10/654743610.db2.gz QMNSOKKODAELOW-CQSZACIVSA-N 1 0 398.345 2.473 20 0 GEADRO Nc1cc[nH+]c2c1CN(C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000931510689 654744575 /nfs/dbraw/zinc/74/45/75/654744575.db2.gz WEBKXRJJBQNPSA-CYBMUJFWSA-N 1 0 378.270 2.224 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@H]([NH3+])CC(C)C)s1 ZINC000912168306 654744700 /nfs/dbraw/zinc/74/47/00/654744700.db2.gz GCJGBDYEKGRDEK-CYBMUJFWSA-N 1 0 375.560 2.158 20 0 GEADRO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)oc1Br ZINC000931517654 654744834 /nfs/dbraw/zinc/74/48/34/654744834.db2.gz JYKDQMZEUYXZKX-LBPRGKRZSA-N 1 0 386.290 2.023 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1c[nH]nc1Br ZINC000912191676 654745625 /nfs/dbraw/zinc/74/56/25/654745625.db2.gz WXGYRTPIJKFFTN-UHFFFAOYSA-N 1 0 378.274 2.323 20 0 GEADRO Cc1c(C(=O)N2CC([NH+]3CCCC3)C2)nnn1-c1ccccc1Br ZINC000912326351 654749953 /nfs/dbraw/zinc/74/99/53/654749953.db2.gz QBEWOIXRSBYQIB-UHFFFAOYSA-N 1 0 390.285 2.258 20 0 GEADRO CCCOc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)cc1Cl 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GEADRO COC1(OC)CCOC[C@@H]1[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931677332 654753318 /nfs/dbraw/zinc/75/33/18/654753318.db2.gz QOSOZCIOEASMNK-ZFWWWQNUSA-N 1 0 380.268 2.101 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000931693149 654753762 /nfs/dbraw/zinc/75/37/62/654753762.db2.gz VQLOSIAQGAESCQ-AAEUAGOBSA-N 1 0 380.286 2.428 20 0 GEADRO C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000931696074 654753916 /nfs/dbraw/zinc/75/39/16/654753916.db2.gz XNBWKWDSGFVNNY-KRWDZBQOSA-N 1 0 376.444 2.392 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912589074 654760187 /nfs/dbraw/zinc/76/01/87/654760187.db2.gz LYSUQAACTVTSSG-UHFFFAOYSA-N 1 0 384.318 2.365 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(Br)cnc2F)CC1 ZINC000912597072 654760349 /nfs/dbraw/zinc/76/03/49/654760349.db2.gz ZTKYOHPPBORNPH-UHFFFAOYSA-N 1 0 388.281 2.196 20 0 GEADRO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000932112820 654767311 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C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000932311345 654774815 /nfs/dbraw/zinc/77/48/15/654774815.db2.gz PWQAMFXVIHQYFD-BXUZGUMPSA-N 1 0 380.286 2.333 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000932311352 654774828 /nfs/dbraw/zinc/77/48/28/654774828.db2.gz PWQAMFXVIHQYFD-SMDDNHRTSA-N 1 0 380.286 2.333 20 0 GEADRO C[NH+](C)C1(CNC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CCC1 ZINC000932431976 654777357 /nfs/dbraw/zinc/77/73/57/654777357.db2.gz CGJGWTIOXXPHOU-UHFFFAOYSA-N 1 0 397.273 2.386 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)NCC[NH+]1CCSCC1 ZINC000932617127 654783538 /nfs/dbraw/zinc/78/35/38/654783538.db2.gz SXVJTKOKCBQFGF-GFCCVEGCSA-N 1 0 398.326 2.040 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)c2nc(Br)c3ccccn32)CC1 ZINC000932679208 654785451 /nfs/dbraw/zinc/78/54/51/654785451.db2.gz RAZLEUOHFMFRAB-UHFFFAOYSA-N 1 0 395.301 2.280 20 0 GEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)C[C@@]2(C)C1 ZINC000913291739 654787901 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COc1c(Br)ccc(F)c1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913677570 654803801 /nfs/dbraw/zinc/80/38/01/654803801.db2.gz VYYLCVDFZLDXIL-UHFFFAOYSA-N 1 0 389.265 2.126 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Cl)ncc2Br)CC1 ZINC000913676670 654803819 /nfs/dbraw/zinc/80/38/19/654803819.db2.gz GGSAJJYDFSXDNQ-UHFFFAOYSA-N 1 0 376.682 2.026 20 0 GEADRO COc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)sc1Br ZINC000913679111 654803917 /nfs/dbraw/zinc/80/39/17/654803917.db2.gz MRRZHDATQJVCQY-UHFFFAOYSA-N 1 0 377.304 2.048 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000913679246 654804031 /nfs/dbraw/zinc/80/40/31/654804031.db2.gz SHHQARVZSYUWGW-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)CC[C@H]21 ZINC000913760706 654808057 /nfs/dbraw/zinc/80/80/57/654808057.db2.gz OPBQEBBDHBPLEM-XHDPSFHLSA-N 1 0 380.286 2.112 20 0 GEADRO O=C(c1cc(Br)cn2ncnc12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000933333822 654809131 /nfs/dbraw/zinc/80/91/31/654809131.db2.gz DZWYBBXUGAPSGN-LBPRGKRZSA-N 1 0 378.274 2.050 20 0 GEADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(F)c1Br ZINC000913820555 654810934 /nfs/dbraw/zinc/81/09/34/654810934.db2.gz CVCRTVIVJRTDLI-UHFFFAOYSA-N 1 0 379.295 2.444 20 0 GEADRO C[C@H](NC(=O)c1nccc2c(Br)cccc21)[C@H]1C[N@H+](C)CCN1C ZINC000933387847 654811240 /nfs/dbraw/zinc/81/12/40/654811240.db2.gz PNOQWABNBDMNIY-BLLLJJGKSA-N 1 0 391.313 2.361 20 0 GEADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000933431974 654812690 /nfs/dbraw/zinc/81/26/90/654812690.db2.gz NVHFFHWEKHVILZ-QGZVFWFLSA-N 1 0 386.876 2.210 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)no1 ZINC000933436678 654812883 /nfs/dbraw/zinc/81/28/83/654812883.db2.gz FRSZWWZQAARTQO-INIZCTEOSA-N 1 0 382.258 2.267 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC[N@@H+]1C ZINC000933491278 654814974 /nfs/dbraw/zinc/81/49/74/654814974.db2.gz LMNKTTDFWCREFI-MDZLAQPJSA-N 1 0 380.286 2.474 20 0 GEADRO CN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1CCC[N@H+](C)C1 ZINC000933486669 654814998 /nfs/dbraw/zinc/81/49/98/654814998.db2.gz WTZURIZANJGIFJ-JSGCOSHPSA-N 1 0 380.286 2.428 20 0 GEADRO C[NH+](C)C1CCN(S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)CC1 ZINC000913913141 654815519 /nfs/dbraw/zinc/81/55/19/654815519.db2.gz UODHGRXZMVIHKU-XMMPIXPASA-N 1 0 399.460 2.304 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000913913305 654815802 /nfs/dbraw/zinc/81/58/02/654815802.db2.gz YSRZEMMANZCXIA-LLVKDONJSA-N 1 0 391.306 2.492 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(Br)cn2ncnc12 ZINC000933623626 654818042 /nfs/dbraw/zinc/81/80/42/654818042.db2.gz SCNAXZYSWXPWDE-CYBMUJFWSA-N 1 0 380.290 2.438 20 0 GEADRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1CS(N)(=O)=O ZINC000933700175 654820526 /nfs/dbraw/zinc/82/05/26/654820526.db2.gz PLZFPTBLHLSCJP-MNOVXSKESA-N 1 0 394.324 2.178 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(CC(=O)Nc3ccc(I)cc3)C[C@]2(C)C1 ZINC000933739317 654824039 /nfs/dbraw/zinc/82/40/39/654824039.db2.gz UEGCRMUTHRPVRL-WBMJQRKESA-N 1 0 399.276 2.113 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000914081545 654825296 /nfs/dbraw/zinc/82/52/96/654825296.db2.gz YKRCUMIWXIDDHP-NSHDSACASA-N 1 0 379.295 2.349 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000914090945 654825838 /nfs/dbraw/zinc/82/58/38/654825838.db2.gz SCYFLURRVZGLGW-JTQLQIEISA-N 1 0 393.278 2.066 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(CCS(=O)(=O)c3ccc(Br)cc3)C[C@]2(C)C1 ZINC000933747810 654826415 /nfs/dbraw/zinc/82/64/15/654826415.db2.gz FBEYWPJBWYDRFV-CJNGLKHVSA-N 1 0 387.343 2.106 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000933927641 654831049 /nfs/dbraw/zinc/83/10/49/654831049.db2.gz RSYKIXDUKWQLHG-BXUZGUMPSA-N 1 0 380.286 2.333 20 0 GEADRO COCCOc1ccc(NC(=O)N(C)CC2C[NH+](C)C2)cc1Br ZINC000933986687 654833152 /nfs/dbraw/zinc/83/31/52/654833152.db2.gz BUWJEIBSSHOZHI-UHFFFAOYSA-N 1 0 386.290 2.500 20 0 GEADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914187112 654833529 /nfs/dbraw/zinc/83/35/29/654833529.db2.gz HWJCANYQWARWNB-RULNZOCKSA-N 1 0 387.449 2.208 20 0 GEADRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000934042236 654834834 /nfs/dbraw/zinc/83/48/34/654834834.db2.gz BXEFKARFGSHQKH-DAXOMENPSA-N 1 0 385.302 2.190 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000934042469 654834936 /nfs/dbraw/zinc/83/49/36/654834936.db2.gz ZAEDTNUDZXVSBM-UHFFFAOYSA-N 1 0 386.290 2.169 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCCCCNC(=O)CC1 ZINC000934164916 654837435 /nfs/dbraw/zinc/83/74/35/654837435.db2.gz YPJSSRASIZZHJY-UHFFFAOYSA-N 1 0 396.329 2.400 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCCSC(F)(F)F)C2)[C@H]1C(C)C ZINC000914239113 654837956 /nfs/dbraw/zinc/83/79/56/654837956.db2.gz SAWQSJTVDWCMDX-RGCMKSIDSA-N 1 0 383.480 2.408 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1nnc(-c2ccccc2)s1 ZINC000914250544 654838836 /nfs/dbraw/zinc/83/88/36/654838836.db2.gz UARMIFSYLZEKKI-KRWDZBQOSA-N 1 0 378.523 2.110 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000934252513 654839992 /nfs/dbraw/zinc/83/99/92/654839992.db2.gz LLLVWKMKIIMNHG-UHFFFAOYSA-N 1 0 385.306 2.463 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N(CCCO)Cc1cccc(Cl)c1 ZINC000914271425 654840718 /nfs/dbraw/zinc/84/07/18/654840718.db2.gz UUFXJUWDTGYZGS-SFHVURJKSA-N 1 0 386.945 2.340 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934262889 654841075 /nfs/dbraw/zinc/84/10/75/654841075.db2.gz FUCNXTIJGWBGRH-IAGOWNOFSA-N 1 0 396.329 2.227 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934274325 654842477 /nfs/dbraw/zinc/84/24/77/654842477.db2.gz QWOZRLAXLJCXHA-GJZGRUSLSA-N 1 0 383.290 2.215 20 0 GEADRO Cc1csc(C)c1S(=O)(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000914295587 654842746 /nfs/dbraw/zinc/84/27/46/654842746.db2.gz ZZVCYVNLWLPAKQ-SJPCQFCGSA-N 1 0 383.583 2.296 20 0 GEADRO C[C@H]1[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000914298014 654842964 /nfs/dbraw/zinc/84/29/64/654842964.db2.gz MTLAVBHDZMFXRD-SMDDNHRTSA-N 1 0 383.290 2.170 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1ccsc1C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000934307756 654843585 /nfs/dbraw/zinc/84/35/85/654843585.db2.gz QZHRUOMPJUHEPF-LLVKDONJSA-N 1 0 380.482 2.267 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cscc2C(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000914308418 654844165 /nfs/dbraw/zinc/84/41/65/654844165.db2.gz QQGLQQHRPIPVBA-GXTWGEPZSA-N 1 0 393.525 2.332 20 0 GEADRO O=C(CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)Nc1ccc(Cl)cc1 ZINC000914325307 654845252 /nfs/dbraw/zinc/84/52/52/654845252.db2.gz GUFYFIGTTIFZKP-GJZGRUSLSA-N 1 0 382.917 2.158 20 0 GEADRO O=C(Nc1c(Br)cnn1C1CC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934367056 654846115 /nfs/dbraw/zinc/84/61/15/654846115.db2.gz BPUBONGRJIALGD-CYBMUJFWSA-N 1 0 398.305 2.355 20 0 GEADRO Cn1c2ccc(Cl)cc2nc1CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914399067 654851164 /nfs/dbraw/zinc/85/11/64/654851164.db2.gz YDQSNKWZOZRBPQ-KRWDZBQOSA-N 1 0 382.917 2.132 20 0 GEADRO CC(C)(C)n1nnc(CC[NH2+][C@](C)(CO)c2cccc(Br)c2)n1 ZINC000934496557 654851216 /nfs/dbraw/zinc/85/12/16/654851216.db2.gz WSUNIQCJGCVPRR-MRXNPFEDSA-N 1 0 382.306 2.230 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000934574714 654853381 /nfs/dbraw/zinc/85/33/81/654853381.db2.gz HAHJLUNHWNUVJC-WDBKCZKBSA-N 1 0 392.297 2.474 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C ZINC000914443254 654854794 /nfs/dbraw/zinc/85/47/94/654854794.db2.gz LTFHEGDHJXGJOU-KKUMJFAQSA-N 1 0 387.571 2.136 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000934737271 654856419 /nfs/dbraw/zinc/85/64/19/654856419.db2.gz YGGOVAKGNVMJKO-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000934749485 654857747 /nfs/dbraw/zinc/85/77/47/654857747.db2.gz FZNNWCGCMMEUFT-SSOJOUAXSA-N 1 0 375.485 2.285 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000914832326 654858268 /nfs/dbraw/zinc/85/82/68/654858268.db2.gz UEKLKJNBLUEXOG-UHFFFAOYSA-N 1 0 378.274 2.244 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000915069901 654862429 /nfs/dbraw/zinc/86/24/29/654862429.db2.gz LPBIEVPMLJVFCD-UHFFFAOYSA-N 1 0 391.324 2.396 20 0 GEADRO OC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1I ZINC000934828927 654862485 /nfs/dbraw/zinc/86/24/85/654862485.db2.gz VEEWLSIEICJERU-KWQFWETISA-N 1 0 389.155 2.228 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1=O ZINC000935014304 654871035 /nfs/dbraw/zinc/87/10/35/654871035.db2.gz YNHZXWVPEFZLQX-WBMJQRKESA-N 1 0 394.313 2.237 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(C)cc(Cl)n1)[C@H]1CCS(=O)(=O)C1 ZINC000935092583 654875174 /nfs/dbraw/zinc/87/51/74/654875174.db2.gz LBGAICYKLDZGEZ-AWEZNQCLSA-N 1 0 387.933 2.015 20 0 GEADRO COc1cc(CNC(=O)NCC2([NH+](C)C)CC2)cc(Br)c1OC ZINC000915622011 654875330 /nfs/dbraw/zinc/87/53/30/654875330.db2.gz YOOISSNSMKDRMP-UHFFFAOYSA-N 1 0 386.290 2.360 20 0 GEADRO CC(C)[C@H](C[NH+](C)C)NC(=O)COc1ccc(I)cc1 ZINC000915622839 654875349 /nfs/dbraw/zinc/87/53/49/654875349.db2.gz DCGJZZFJVLWMLH-AWEZNQCLSA-N 1 0 390.265 2.372 20 0 GEADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1CC1(Cl)Cl ZINC000915687607 654876654 /nfs/dbraw/zinc/87/66/54/654876654.db2.gz IDCUEUFZEQOUSQ-INIZCTEOSA-N 1 0 385.339 2.297 20 0 GEADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000915703285 654877035 /nfs/dbraw/zinc/87/70/35/654877035.db2.gz DLAMPGQLHCATEH-AWEZNQCLSA-N 1 0 389.949 2.296 20 0 GEADRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cnc1Br ZINC000935156112 654879157 /nfs/dbraw/zinc/87/91/57/654879157.db2.gz MNPFRROFZQLVLY-ZBFHGGJFSA-N 1 0 395.345 2.251 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)Cc3ccc(F)cc3Br)C2)C1 ZINC000915849619 654880779 /nfs/dbraw/zinc/88/07/79/654880779.db2.gz FTJCYTXPJKOOEH-OAHLLOKOSA-N 1 0 391.306 2.446 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935189180 654880942 /nfs/dbraw/zinc/88/09/42/654880942.db2.gz HODAKRNPHQCPAM-NQBHXWOUSA-N 1 0 380.286 2.426 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935215308 654882065 /nfs/dbraw/zinc/88/20/65/654882065.db2.gz WMQHEZSPPMIALR-JTNHKYCSSA-N 1 0 380.286 2.426 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000935225429 654882329 /nfs/dbraw/zinc/88/23/29/654882329.db2.gz GLFIMCXDOXAUPK-GJZGRUSLSA-N 1 0 382.302 2.307 20 0 GEADRO C[NH+]1CCC2(CCC(NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC2)CC1 ZINC000915969121 654883735 /nfs/dbraw/zinc/88/37/35/654883735.db2.gz GFFLNGFIYBSWPF-QHCPKHFHSA-N 1 0 379.592 2.372 20 0 GEADRO C[C@@H](CCNC(=O)c1cc(Br)cn2ncnc12)[NH+]1CCCCC1 ZINC000935360067 654889657 /nfs/dbraw/zinc/88/96/57/654889657.db2.gz NOHYMNGVGUOGFX-LBPRGKRZSA-N 1 0 380.290 2.486 20 0 GEADRO CS[C@H]1CN(C(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000935367718 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C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935931781 654928114 /nfs/dbraw/zinc/92/81/14/654928114.db2.gz FBHMKASQMKTUCH-OCCSQVGLSA-N 1 0 393.285 2.032 20 0 GEADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)c1ccsc1Cl ZINC000996389438 654947795 /nfs/dbraw/zinc/94/77/95/654947795.db2.gz MMRMAAOYJSJFBP-XBFCOCLRSA-N 1 0 379.913 2.359 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(Cl)s1)C2 ZINC000996509799 654948334 /nfs/dbraw/zinc/94/83/34/654948334.db2.gz FAENFYVBVGBKOS-UQOMUDLDSA-N 1 0 381.929 2.286 20 0 GEADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(Cl)cs1)C2 ZINC000999572292 654953459 /nfs/dbraw/zinc/95/34/59/654953459.db2.gz MEVKDESLWISXAC-RNJOBUHISA-N 1 0 382.917 2.143 20 0 GEADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389869 718824871 /nfs/dbraw/zinc/82/48/71/718824871.db2.gz KEQHLZWDWHXMDG-DGCLKSJQSA-N 1 0 381.814 2.304 20 0 GEADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCN2CC[NH2+]C[C@H]2C1 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CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[NH2+]C[C@H]2C(=O)OC)n1 ZINC001164629699 719136400 /nfs/dbraw/zinc/13/64/00/719136400.db2.gz CEXWMIOWDGYLAW-AWEZNQCLSA-N 1 0 391.541 2.101 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncc2ccn(S(=O)(=O)c3ccccc3)c2n1 ZINC001164638759 719231253 /nfs/dbraw/zinc/23/12/53/719231253.db2.gz OVVPZWJUMPBTFJ-LSDHHAIUSA-N 1 0 385.493 2.197 20 0 GEADRO CC(C)C[NH+]1CCN(c2ncc3ccn(S(=O)(=O)c4ccccc4)c3n2)CC1 ZINC001164657659 719336997 /nfs/dbraw/zinc/33/69/97/719336997.db2.gz XFRJPHZJOHRPPD-UHFFFAOYSA-N 1 0 399.520 2.446 20 0 GEADRO O=C([C@@H]1CN(c2ncccc2C[NH+]2CCCC2)CC12CCOCC2)N1CC=CC1 ZINC001164678419 719561632 /nfs/dbraw/zinc/56/16/32/719561632.db2.gz YHGCMUSIRCZHLL-FQEVSTJZSA-N 1 0 396.535 2.309 20 0 GEADRO COC(=O)c1cnc(Cl)cc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685297 719603188 /nfs/dbraw/zinc/60/31/88/719603188.db2.gz VAGFDUQSACIDIE-UHFFFAOYSA-N 1 0 377.876 2.193 20 0 GEADRO COC(=O)c1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)ncc1Cl ZINC001164682570 719605131 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ZINC001164815352 720096612 /nfs/dbraw/zinc/09/66/12/720096612.db2.gz YMPDJPCEUSASNE-LIRRHRJNSA-N 1 0 390.919 2.499 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1F)C2 ZINC001164816171 720103640 /nfs/dbraw/zinc/10/36/40/720103640.db2.gz YBBVSMUAHYOHHK-OXQOHEQNSA-N 1 0 377.460 2.192 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC)nc(SC)n1)C2 ZINC001164814413 720114767 /nfs/dbraw/zinc/11/47/67/720114767.db2.gz SKFCJENLWPGZDS-BEFAXECRSA-N 1 0 378.542 2.392 20 0 GEADRO CCCNC(=O)c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164815048 720167088 /nfs/dbraw/zinc/16/70/88/720167088.db2.gz HHBKEFVADVXSBD-XMSQKQJNSA-N 1 0 386.540 2.406 20 0 GEADRO Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(C2CC2)n1 ZINC001164717146 720199827 /nfs/dbraw/zinc/19/98/27/720199827.db2.gz SPLHJKBVYVTJGU-GOSISDBHSA-N 1 0 397.527 2.007 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc3ncccc31)CCC2 ZINC001164810280 720214393 /nfs/dbraw/zinc/21/43/93/720214393.db2.gz 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Cc1nc2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2n1C ZINC001164829460 720318595 /nfs/dbraw/zinc/31/85/95/720318595.db2.gz MKBGWXRHILPJCK-OALUTQOASA-N 1 0 396.539 2.188 20 0 GEADRO CSc1cc(C)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824637 720318669 /nfs/dbraw/zinc/31/86/69/720318669.db2.gz COETZEKUAZWRRX-IAGOWNOFSA-N 1 0 389.569 2.418 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(OCC3CC3)ncn2)CC1 ZINC001164827767 720324705 /nfs/dbraw/zinc/32/47/05/720324705.db2.gz IKNZAZLTBNXSFI-MOPGFXCFSA-N 1 0 399.539 2.177 20 0 GEADRO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723957 720355792 /nfs/dbraw/zinc/35/57/92/720355792.db2.gz IRXMPMIJGVUVCR-GJZGRUSLSA-N 1 0 375.835 2.221 20 0 GEADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735423 720419403 /nfs/dbraw/zinc/41/94/03/720419403.db2.gz XIOUPQZTXYIVNE-RBUKOAKNSA-N 1 0 381.480 2.272 20 0 GEADRO CCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164730266 720486941 /nfs/dbraw/zinc/48/69/41/720486941.db2.gz UAENEIDAXDARSY-HZPDHXFCSA-N 1 0 386.887 2.128 20 0 GEADRO CCOC(=O)c1cnc(Cl)cc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164727609 720505381 /nfs/dbraw/zinc/50/53/81/720505381.db2.gz CKEGDVMMUDGYKD-ZDUSSCGKSA-N 1 0 377.876 2.306 20 0 GEADRO CCOC(=O)c1cc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)ncc1Cl ZINC001164729167 720507275 /nfs/dbraw/zinc/50/72/75/720507275.db2.gz HTTNZJDXMGDAFA-ZDUSSCGKSA-N 1 0 377.876 2.306 20 0 GEADRO COC(=O)c1ccc2nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)ccc2c1 ZINC001164730058 720513107 /nfs/dbraw/zinc/51/31/07/720513107.db2.gz QQXCIZAXLOSHHV-HNNXBMFYSA-N 1 0 379.464 2.416 20 0 GEADRO CCOC(=O)c1cnc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1OCC ZINC001164726664 720514170 /nfs/dbraw/zinc/51/41/70/720514170.db2.gz CQHSBXKJUPSUBD-HNNXBMFYSA-N 1 0 387.484 2.052 20 0 GEADRO Cc1cc(NC(=O)c2cccnc2N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)no1 ZINC001164735510 720523103 /nfs/dbraw/zinc/52/31/03/720523103.db2.gz YXKAKULLBPYTEP-OAHLLOKOSA-N 1 0 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C[NH+](C)[C@H]1CCCN(c2ncnc3c2ccn3S(=O)(=O)c2ccccc2)C1 ZINC001165035730 721889188 /nfs/dbraw/zinc/88/91/88/721889188.db2.gz PMMMTVCLYUVCFY-HNNXBMFYSA-N 1 0 385.493 2.199 20 0 GEADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165038369 721910131 /nfs/dbraw/zinc/91/01/31/721910131.db2.gz KTMGSURICNIPPL-AWEZNQCLSA-N 1 0 390.871 2.371 20 0 GEADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165037653 721912716 /nfs/dbraw/zinc/91/27/16/721912716.db2.gz HVRAGMFBBQDGJK-QGZVFWFLSA-N 1 0 396.470 2.315 20 0 GEADRO COC(=O)c1cc2c(N3CC[NH+](C[C@@H]4CCCO4)CC3)[nH]c(Cl)cc-2n1 ZINC001165036213 721914601 /nfs/dbraw/zinc/91/46/01/721914601.db2.gz ALEDWFAQRVFTFX-LBPRGKRZSA-N 1 0 378.860 2.304 20 0 GEADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001164948579 721955347 /nfs/dbraw/zinc/95/53/47/721955347.db2.gz RMBKBTCZOCSUNE-NHCUHLMSSA-N 1 0 397.523 2.372 20 0 GEADRO CCOC(=O)c1cnc(N2CCC([NH+](CC)CC)CC2)nc1C(=O)OCC ZINC001165053400 722001749 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396.491 2.299 20 0 GEADRO FC(F)Oc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164970953 722128064 /nfs/dbraw/zinc/12/80/64/722128064.db2.gz AUWGUBIKYHRHLY-RDJZCZTQSA-N 1 0 391.422 2.200 20 0 GEADRO FC(F)Oc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164970952 722128434 /nfs/dbraw/zinc/12/84/34/722128434.db2.gz AUWGUBIKYHRHLY-NVXWUHKLSA-N 1 0 391.422 2.200 20 0 GEADRO Clc1[n-][nH+]c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ncnc1-2 ZINC001164979763 722128777 /nfs/dbraw/zinc/12/87/77/722128777.db2.gz PTUUXOMIBGLXIN-LSDHHAIUSA-N 1 0 399.886 2.129 20 0 GEADRO Cc1cnc2c(ccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978910 722150529 /nfs/dbraw/zinc/15/05/29/722150529.db2.gz KSCJKTXAARKYHE-AZUAARDMSA-N 1 0 390.491 2.456 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cnc5c(n4)CCCC5)CC[C@@H]3C2)c1 ZINC001164972240 722152175 /nfs/dbraw/zinc/15/21/75/722152175.db2.gz HMIUFJOTFXYRMK-WIYYLYMNSA-N 1 0 379.508 2.478 20 0 GEADRO COc1cc(Cl)ncc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000202 722252164 /nfs/dbraw/zinc/25/21/64/722252164.db2.gz LZXWNGUYGQQOPZ-UHFFFAOYSA-N 1 0 379.892 2.429 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2nnc(CC(F)(F)F)s2)C1 ZINC000483975962 531415074 /nfs/dbraw/zinc/41/50/74/531415074.db2.gz MJSZJFFNABLRBN-SNVBAGLBSA-N 1 0 381.424 2.121 20 0 GEADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000151666560 531515426 /nfs/dbraw/zinc/51/54/26/531515426.db2.gz MYDZGGHEUQFVHP-MRVPVSSYSA-N 1 0 390.300 2.056 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000151489107 531503980 /nfs/dbraw/zinc/50/39/80/531503980.db2.gz ZNURAYIDDBFDQC-AWEZNQCLSA-N 1 0 398.345 2.478 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151801890 531521422 /nfs/dbraw/zinc/52/14/22/531521422.db2.gz XJISBLUXNOORLH-YPMHNXCESA-N 1 0 380.286 2.437 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000152119401 531531624 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COCCC[N@H+](C)CCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000152331798 531545684 /nfs/dbraw/zinc/54/56/84/531545684.db2.gz PFWLORFZTSSCHM-GFCCVEGCSA-N 1 0 390.311 2.196 20 0 GEADRO CN(Cc1nnnn1-c1ccccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000152430282 531550181 /nfs/dbraw/zinc/55/01/81/531550181.db2.gz SYMBZTJBTJOKTQ-CYBMUJFWSA-N 1 0 379.306 2.198 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3cncc(Br)c3)cn2)CC1 ZINC000012613326 531551781 /nfs/dbraw/zinc/55/17/81/531551781.db2.gz KJDIJXAPDYWMEY-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO COc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000152167256 531534839 /nfs/dbraw/zinc/53/48/39/531534839.db2.gz MDTFUCRZRDJQIT-CYBMUJFWSA-N 1 0 385.302 2.424 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)COc1ccc(Br)cc1F ZINC000152535863 531559055 /nfs/dbraw/zinc/55/90/55/531559055.db2.gz GBGAJEFLEHGKRD-UHFFFAOYSA-N 1 0 377.254 2.052 20 0 GEADRO Cc1sc2ncnc(SCCC(=O)NC[C@](C)(O)C[NH+](C)C)c2c1C ZINC000152779081 531569018 /nfs/dbraw/zinc/56/90/18/531569018.db2.gz BFQKRXOCYLSKIN-KRWDZBQOSA-N 1 0 382.555 2.219 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCSc1ccccc1Br ZINC000152762783 531569484 /nfs/dbraw/zinc/56/94/84/531569484.db2.gz BDWRFAKCNYEXQB-HNNXBMFYSA-N 1 0 375.332 2.360 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCSc1ccc(Br)cc1 ZINC000153099300 531587299 /nfs/dbraw/zinc/58/72/99/531587299.db2.gz SIEJCAOMPONLJQ-HNNXBMFYSA-N 1 0 375.332 2.360 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000153367775 531595581 /nfs/dbraw/zinc/59/55/81/531595581.db2.gz DMEYPDKLARVUKH-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO CN(C(=O)COc1ccc(I)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000153741359 531607788 /nfs/dbraw/zinc/60/77/88/531607788.db2.gz UAZCSKVHKVLWQX-ZDUSSCGKSA-N 1 0 388.249 2.223 20 0 GEADRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000153932504 531611395 /nfs/dbraw/zinc/61/13/95/531611395.db2.gz HAPQGYXKPIVOKM-RWMBFGLXSA-N 1 0 397.317 2.265 20 0 GEADRO CC(C)[NH+]1CCN(CC(=O)Nc2ccc(I)cc2)CC1 ZINC000027418919 531625428 /nfs/dbraw/zinc/62/54/28/531625428.db2.gz MODJKBZHYXTZQC-UHFFFAOYSA-N 1 0 387.265 2.256 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000154840592 531636289 /nfs/dbraw/zinc/63/62/89/531636289.db2.gz ZNXGPPAAKKQMPT-UHFFFAOYSA-N 1 0 397.317 2.008 20 0 GEADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)cc1Br ZINC000030510343 531637501 /nfs/dbraw/zinc/63/75/01/531637501.db2.gz WDBSQFGZBDAPJJ-ZJUUUORDSA-N 1 0 384.274 2.485 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000154917212 531641771 /nfs/dbraw/zinc/64/17/71/531641771.db2.gz DHWHPEDCTYBRHY-CYBMUJFWSA-N 1 0 378.274 2.428 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CC[C@@H]21 ZINC000154921949 531642020 /nfs/dbraw/zinc/64/20/20/531642020.db2.gz PCIVNPURZNYIHM-HOCLYGCPSA-N 1 0 394.313 2.122 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000042539262 531669183 /nfs/dbraw/zinc/66/91/83/531669183.db2.gz HWHBDXOIJTZQMG-ZDUSSCGKSA-N 1 0 389.949 2.488 20 0 GEADRO CC(C)[C@H](CNC(=O)Cc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000042581365 531670649 /nfs/dbraw/zinc/67/06/49/531670649.db2.gz ARDDGFNDZWCZHC-KRWDZBQOSA-N 1 0 382.346 2.380 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000155137783 531659499 /nfs/dbraw/zinc/65/94/99/531659499.db2.gz HJCYBROGMJNMFY-QMMMGPOBSA-N 1 0 394.640 2.387 20 0 GEADRO [NH3+]CCCCNS(=O)(=O)c1ccc(Br)cc1Br ZINC000040826925 531660935 /nfs/dbraw/zinc/66/09/35/531660935.db2.gz DLPJTDAXMQOQQQ-UHFFFAOYSA-N 1 0 386.109 2.229 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000040652743 531661296 /nfs/dbraw/zinc/66/12/96/531661296.db2.gz GSEQPEGIFSPHCN-GFCCVEGCSA-N 1 0 375.922 2.050 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000155323789 531674592 /nfs/dbraw/zinc/67/45/92/531674592.db2.gz SOLTUGAZLIYDLQ-JHJVBQTASA-N 1 0 397.317 2.265 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC[NH+]1CCCCC1 ZINC000043183734 531680242 /nfs/dbraw/zinc/68/02/42/531680242.db2.gz 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C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000158262926 531773638 /nfs/dbraw/zinc/77/36/38/531773638.db2.gz RDSSDBMMBHGWOX-CRAIPNDOSA-N 1 0 384.567 2.380 20 0 GEADRO CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)c(C)c2)CC1 ZINC000158273372 531773812 /nfs/dbraw/zinc/77/38/12/531773812.db2.gz YGBZCNONENIPAZ-UHFFFAOYSA-N 1 0 382.302 2.042 20 0 GEADRO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000054211743 531776016 /nfs/dbraw/zinc/77/60/16/531776016.db2.gz HQBXAGWYNAYFOA-CYBMUJFWSA-N 1 0 397.317 2.409 20 0 GEADRO COCC[NH+]1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000054429465 531778032 /nfs/dbraw/zinc/77/80/32/531778032.db2.gz LDENXOHHYJIVQD-UHFFFAOYSA-N 1 0 388.281 2.181 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000055996603 531802539 /nfs/dbraw/zinc/80/25/39/531802539.db2.gz SJKZGPCDSRBEND-HZPDHXFCSA-N 1 0 382.913 2.389 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[N@H+](C)C1CC1 ZINC000057707005 531823098 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CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000163657645 531863136 /nfs/dbraw/zinc/86/31/36/531863136.db2.gz OXKQVCQMYQNPLI-SJORKVTESA-N 1 0 386.323 2.265 20 0 GEADRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1=O ZINC000163709550 531863258 /nfs/dbraw/zinc/86/32/58/531863258.db2.gz FLGYQDFXNNYEFC-LLVKDONJSA-N 1 0 390.075 2.449 20 0 GEADRO C[C@H](CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[S@@](C)=O ZINC000165841794 531874890 /nfs/dbraw/zinc/87/48/90/531874890.db2.gz VWBQZQRNGNBFKJ-MYYSRTQBSA-N 1 0 375.604 2.194 20 0 GEADRO C[C@H](CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[S@](C)=O ZINC000165841556 531875057 /nfs/dbraw/zinc/87/50/57/531875057.db2.gz VWBQZQRNGNBFKJ-OYLFLEFRSA-N 1 0 375.604 2.194 20 0 GEADRO O=C([C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1)N1CCSCC1 ZINC000067118163 531877350 /nfs/dbraw/zinc/87/73/50/531877350.db2.gz GHVZLLJORICEPQ-DOTOQJQBSA-N 1 0 384.929 2.120 20 0 GEADRO CN(C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000170915885 531893447 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COc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1OC ZINC000171842210 531920713 /nfs/dbraw/zinc/92/07/13/531920713.db2.gz BXJUACCGXQETEM-UHFFFAOYSA-N 1 0 378.441 2.058 20 0 GEADRO COc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc(OC)c1 ZINC000171841764 531920752 /nfs/dbraw/zinc/92/07/52/531920752.db2.gz IBAYZSZPZLUVSK-UHFFFAOYSA-N 1 0 378.441 2.058 20 0 GEADRO [NH3+]C1(CNC(=O)Nc2nnc(SCc3ccccc3)s2)CCOCC1 ZINC000625836353 531915479 /nfs/dbraw/zinc/91/54/79/531915479.db2.gz DCJKOFRDGRAYSR-UHFFFAOYSA-N 1 0 379.511 2.460 20 0 GEADRO COc1ccc(C[NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)cc1Cl ZINC000094013849 531929624 /nfs/dbraw/zinc/92/96/24/531929624.db2.gz CWZVBQWISYTCAE-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000172055103 531931264 /nfs/dbraw/zinc/93/12/64/531931264.db2.gz PVTMYVHGNCLOFE-OCCSQVGLSA-N 1 0 382.302 2.036 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNc2cc(Br)cc(F)c2C(N)=O)CC1 ZINC000094157480 531931589 /nfs/dbraw/zinc/93/15/89/531931589.db2.gz 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CC[C@H](C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)[NH+](C)C ZINC000124873328 532131085 /nfs/dbraw/zinc/13/10/85/532131085.db2.gz JLFJUDNOLBPRSA-GXTWGEPZSA-N 1 0 397.317 2.361 20 0 GEADRO CC[NH+](CC)CCN(CC(=O)NC(N)=O)Cc1ccc(Cl)c(Cl)c1 ZINC000176536614 532139940 /nfs/dbraw/zinc/13/99/40/532139940.db2.gz LFNZIZQVUYYUEA-UHFFFAOYSA-N 1 0 375.300 2.332 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000176323230 532134002 /nfs/dbraw/zinc/13/40/02/532134002.db2.gz MKLFIISOHRQHPI-LLVKDONJSA-N 1 0 378.270 2.362 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000176339584 532134350 /nfs/dbraw/zinc/13/43/50/532134350.db2.gz YLBBQSGDFNTODI-UHFFFAOYSA-N 1 0 378.270 2.457 20 0 GEADRO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCCN2CCc3sccc3C2)C1 ZINC000176451880 532138081 /nfs/dbraw/zinc/13/80/81/532138081.db2.gz BFOFWOPDFVEUTO-NWLBTCKQSA-N 1 0 383.583 2.485 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000176795102 532150549 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C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccnc2Br)CC1 ZINC000128806152 532169130 /nfs/dbraw/zinc/16/91/30/532169130.db2.gz XAZLJBAEKLBIKS-CQSZACIVSA-N 1 0 381.318 2.086 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000128109090 532160845 /nfs/dbraw/zinc/16/08/45/532160845.db2.gz FYDXLGPBEQAXIC-GFCCVEGCSA-N 1 0 383.286 2.385 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000128084549 532160919 /nfs/dbraw/zinc/16/09/19/532160919.db2.gz MQFJIVHYQFTNKA-UHFFFAOYSA-N 1 0 376.270 2.356 20 0 GEADRO C[C@H](NCc1nccs1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000128234105 532162432 /nfs/dbraw/zinc/16/24/32/532162432.db2.gz PAKZAISIZRBOEY-AWEZNQCLSA-N 1 0 382.555 2.224 20 0 GEADRO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000128441763 532164554 /nfs/dbraw/zinc/16/45/54/532164554.db2.gz FPSNHIHGEYJGKQ-QWRGUYRKSA-N 1 0 398.248 2.380 20 0 GEADRO C[NH+]1CCC(CCNC(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000128995938 532170826 /nfs/dbraw/zinc/17/08/26/532170826.db2.gz SDDJNNQROXUYTR-UHFFFAOYSA-N 1 0 394.313 2.186 20 0 GEADRO Brc1cc2c(cc1CN1CC[C@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000129595027 532180878 /nfs/dbraw/zinc/18/08/78/532180878.db2.gz JJIDKODDGSOGFB-CQSZACIVSA-N 1 0 397.313 2.374 20 0 GEADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2ccc(Br)cn2)CC1 ZINC000177742622 532181471 /nfs/dbraw/zinc/18/14/71/532181471.db2.gz KNDQCTGMJDOLOZ-VHRNVKJDSA-N 1 0 393.329 2.413 20 0 GEADRO [NH3+][C@@H](CNS(=O)(=O)c1cc(Br)ccc1Br)C1CC1 ZINC000129250705 532175254 /nfs/dbraw/zinc/17/52/54/532175254.db2.gz IJQVIVKYDPEUBC-JTQLQIEISA-N 1 0 398.120 2.227 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000129213127 532175266 /nfs/dbraw/zinc/17/52/66/532175266.db2.gz IFVMNEPEUSCSJF-OAHLLOKOSA-N 1 0 396.329 2.350 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000177535103 532175276 /nfs/dbraw/zinc/17/52/76/532175276.db2.gz CQUSUFODSCDNHO-UONOGXRCSA-N 1 0 385.555 2.135 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000177546049 532175676 /nfs/dbraw/zinc/17/56/76/532175676.db2.gz HSJOVOIZKLCHPG-GFCCVEGCSA-N 1 0 375.441 2.488 20 0 GEADRO COc1cc([C@H](C)[NH2+]CCNC(=O)C(C)C)ccc1S(=O)(=O)C(F)F ZINC000178224601 532196862 /nfs/dbraw/zinc/19/68/62/532196862.db2.gz HCVHEQHENZWTTI-NSHDSACASA-N 1 0 378.441 2.114 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000132083195 532208496 /nfs/dbraw/zinc/20/84/96/532208496.db2.gz ORNMGCPQVBOUEH-GFCCVEGCSA-N 1 0 375.416 2.226 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178667645 532208957 /nfs/dbraw/zinc/20/89/57/532208957.db2.gz AIWDESWNSITFRQ-INIZCTEOSA-N 1 0 396.329 2.417 20 0 GEADRO CCS(=O)(=O)NCCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000178900059 532216403 /nfs/dbraw/zinc/21/64/03/532216403.db2.gz RUNWRMKJFVAZEU-LSDHHAIUSA-N 1 0 381.325 2.213 20 0 GEADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cccc(I)c2)CC1 ZINC000178927988 532217740 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CC(=O)NCc1ccc(-c2csc(NC(=O)C[C@@H]3CSCC[NH2+]3)n2)o1 ZINC000131777752 532203751 /nfs/dbraw/zinc/20/37/51/532203751.db2.gz DAEMQBJEDBZFFJ-LLVKDONJSA-N 1 0 380.495 2.073 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1Cl ZINC000133072274 532227086 /nfs/dbraw/zinc/22/70/86/532227086.db2.gz MUDBJKXLHOYLKC-GFCCVEGCSA-N 1 0 386.901 2.422 20 0 GEADRO C[N@@H+]1CCC[C@H]1CCN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000179397095 532229197 /nfs/dbraw/zinc/22/91/97/532229197.db2.gz RSQSXIFSLQKOIH-AWEZNQCLSA-N 1 0 389.924 2.270 20 0 GEADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)CCO1 ZINC000133299263 532231484 /nfs/dbraw/zinc/23/14/84/532231484.db2.gz GWFXIMLSBNRRNT-LBPRGKRZSA-N 1 0 383.286 2.480 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)cc1C ZINC000133309264 532231548 /nfs/dbraw/zinc/23/15/48/532231548.db2.gz SVGKPCDGUAJPHQ-AWEZNQCLSA-N 1 0 391.331 2.147 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000133404870 532233402 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COC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179662236 532240386 /nfs/dbraw/zinc/24/03/86/532240386.db2.gz VEOMCWDXZRQZSI-RHSMWYFYSA-N 1 0 397.313 2.317 20 0 GEADRO C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)c3ccc(F)cc3Cl)C2)CC1 ZINC000179674191 532240763 /nfs/dbraw/zinc/24/07/63/532240763.db2.gz SARGGWANCQQXPK-HNNXBMFYSA-N 1 0 389.924 2.270 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000179767600 532243144 /nfs/dbraw/zinc/24/31/44/532243144.db2.gz TUCBHVPSQZIGCW-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2C)C1 ZINC000179805914 532245062 /nfs/dbraw/zinc/24/50/62/532245062.db2.gz AVNINQKFQANISM-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000133908128 532246101 /nfs/dbraw/zinc/24/61/01/532246101.db2.gz YYBLAQOYWXLKPS-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cncc(I)c2)C1 ZINC000133964883 532246405 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CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)[C@H](C)C1 ZINC000133509579 532236981 /nfs/dbraw/zinc/23/69/81/532236981.db2.gz GHKMXIRQYLHXKZ-MLGOLLRUSA-N 1 0 388.917 2.477 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)NCc2ccnc(N3CCOCC3)c2)c1 ZINC000179633073 532239186 /nfs/dbraw/zinc/23/91/86/532239186.db2.gz XPKULGIITMKHSU-UHFFFAOYSA-N 1 0 381.885 2.359 20 0 GEADRO O=C(NCCN1CCOCC1)c1cc(Br)cc(Br)c1 ZINC000179627200 532239342 /nfs/dbraw/zinc/23/93/42/532239342.db2.gz JXMHSJBCDXQCLE-UHFFFAOYSA-N 1 0 392.091 2.274 20 0 GEADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cccc(Br)n3)C2)CC1 ZINC000179637784 532239571 /nfs/dbraw/zinc/23/95/71/532239571.db2.gz NQMSVAMXMJXXNL-AWEZNQCLSA-N 1 0 381.318 2.086 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179662221 532239754 /nfs/dbraw/zinc/23/97/54/532239754.db2.gz VEOMCWDXZRQZSI-YOEHRIQHSA-N 1 0 397.313 2.317 20 0 GEADRO Cc1nc(C)c(S(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000180458525 532271987 /nfs/dbraw/zinc/27/19/87/532271987.db2.gz OCBCCGLXWDDHDE-UHFFFAOYSA-N 1 0 387.571 2.273 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000180029614 532255084 /nfs/dbraw/zinc/25/50/84/532255084.db2.gz VJTRIMRGJXQVGT-SECBINFHSA-N 1 0 390.228 2.076 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000180111098 532258092 /nfs/dbraw/zinc/25/80/92/532258092.db2.gz HJCDQRMBJSEQFY-LBPRGKRZSA-N 1 0 381.885 2.068 20 0 GEADRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000180192751 532260700 /nfs/dbraw/zinc/26/07/00/532260700.db2.gz XOTJRGOXHYPSDF-BZNIZROVSA-N 1 0 399.310 2.481 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000134766704 532263167 /nfs/dbraw/zinc/26/31/67/532263167.db2.gz LBVDNRZNEUBHHW-ZDUSSCGKSA-N 1 0 391.299 2.177 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000180480009 532272292 /nfs/dbraw/zinc/27/22/92/532272292.db2.gz IVFFBPOINVEMRF-GFCCVEGCSA-N 1 0 399.285 2.120 20 0 GEADRO O=C1NC[C@H]2CN(Cc3ccc(-c4ccc(Cl)cc4)s3)CCN2C1=O ZINC000180485576 532272362 /nfs/dbraw/zinc/27/23/62/532272362.db2.gz DAGKTZCOOIOUQX-AWEZNQCLSA-N 1 0 375.881 2.211 20 0 GEADRO CCc1nn(C)c(Cl)c1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000180351956 532268737 /nfs/dbraw/zinc/26/87/37/532268737.db2.gz SLEOALGYTFSNBC-UHFFFAOYSA-N 1 0 386.905 2.176 20 0 GEADRO CCc1nc2c(s1)[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)CCC2 ZINC000180750542 532279064 /nfs/dbraw/zinc/27/90/64/532279064.db2.gz IPDMOJLATHEBCG-KGLIPLIRSA-N 1 0 387.571 2.161 20 0 GEADRO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(F)cc1F ZINC000180749583 532279597 /nfs/dbraw/zinc/27/95/97/532279597.db2.gz YQMZEOPJUYAZMS-PBHICJAKSA-N 1 0 376.469 2.494 20 0 GEADRO C[C@@H](CNC(=O)Nc1cc(Br)c(=O)n(C)c1)[NH+]1CCC(C)CC1 ZINC000136650583 532285497 /nfs/dbraw/zinc/28/54/97/532285497.db2.gz WSTPQXXLSIMDHT-LBPRGKRZSA-N 1 0 385.306 2.390 20 0 GEADRO Cc1nc(C)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)s1 ZINC000180982730 532287216 /nfs/dbraw/zinc/28/72/16/532287216.db2.gz HEMVTAVQOFRZEB-CYBMUJFWSA-N 1 0 387.571 2.384 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2cccs2)cc1 ZINC000181042284 532289406 /nfs/dbraw/zinc/28/94/06/532289406.db2.gz VYLMLYVKZUAMLF-QWHCGFSZSA-N 1 0 381.523 2.012 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000180476516 532272605 /nfs/dbraw/zinc/27/26/05/532272605.db2.gz JMMJTVOGILFUQG-UHFFFAOYSA-N 1 0 391.940 2.361 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)NCCNc2cccc(Br)c2)n1 ZINC000180514104 532274017 /nfs/dbraw/zinc/27/40/17/532274017.db2.gz HWNLEAHDULNQCG-UHFFFAOYSA-N 1 0 395.305 2.441 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000139037336 532292358 /nfs/dbraw/zinc/29/23/58/532292358.db2.gz RQMRMPPPFSBXJR-YPMHNXCESA-N 1 0 383.265 2.107 20 0 GEADRO COC(=O)CN1CCC([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000181159579 532292486 /nfs/dbraw/zinc/29/24/86/532292486.db2.gz HPOJNVXFUIJVEG-MRXNPFEDSA-N 1 0 396.329 2.255 20 0 GEADRO CC(=O)N[C@H](CC(=O)N(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000182032527 532308331 /nfs/dbraw/zinc/30/83/31/532308331.db2.gz KUVXLTSFLPAWLF-MRXNPFEDSA-N 1 0 384.318 2.427 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000151206351 532308352 /nfs/dbraw/zinc/30/83/52/532308352.db2.gz NFZLCRVBTOJPSX-MNOVXSKESA-N 1 0 388.331 2.182 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000181227972 532293848 /nfs/dbraw/zinc/29/38/48/532293848.db2.gz OJWIYTIAIGPQEU-UHFFFAOYSA-N 1 0 384.929 2.359 20 0 GEADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000181225107 532294001 /nfs/dbraw/zinc/29/40/01/532294001.db2.gz HHJOREKCWJGORP-AWEZNQCLSA-N 1 0 386.945 2.491 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000140459145 532294119 /nfs/dbraw/zinc/29/41/19/532294119.db2.gz ALGJVMMQJXJVJT-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO Cn1ncnc1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000181271301 532294288 /nfs/dbraw/zinc/29/42/88/532294288.db2.gz UQUDMMXMTGVKQT-UHFFFAOYSA-N 1 0 381.278 2.173 20 0 GEADRO COCC[NH+]1CCC(NC(=O)COc2ccc(F)cc2Br)CC1 ZINC000141607704 532295298 /nfs/dbraw/zinc/29/52/98/532295298.db2.gz JVELODOAYIZOBD-UHFFFAOYSA-N 1 0 389.265 2.194 20 0 GEADRO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)s1 ZINC000181275189 532295327 /nfs/dbraw/zinc/29/53/27/532295327.db2.gz XDSQGJSROLICRN-GFCCVEGCSA-N 1 0 387.571 2.248 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000144287245 532296646 /nfs/dbraw/zinc/29/66/46/532296646.db2.gz HJAKYKPWBKOZPC-CQSZACIVSA-N 1 0 395.301 2.314 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000181378527 532296872 /nfs/dbraw/zinc/29/68/72/532296872.db2.gz ZEYFHQGHTQOFKM-RISCZKNCSA-N 1 0 389.315 2.333 20 0 GEADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000181377331 532297031 /nfs/dbraw/zinc/29/70/31/532297031.db2.gz RNVFPOQTAWQBBB-GFCCVEGCSA-N 1 0 383.539 2.181 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000181378227 532297360 /nfs/dbraw/zinc/29/73/60/532297360.db2.gz ULOHTONLGJTDQE-RISCZKNCSA-N 1 0 389.315 2.333 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000181451819 532299454 /nfs/dbraw/zinc/29/94/54/532299454.db2.gz ZCAUAGVYIBUOGM-UHFFFAOYSA-N 1 0 397.317 2.411 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150799716 532302188 /nfs/dbraw/zinc/30/21/88/532302188.db2.gz SHXFGCDVGOERCR-AWEZNQCLSA-N 1 0 391.317 2.343 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150794827 532302328 /nfs/dbraw/zinc/30/23/28/532302328.db2.gz AGIDYVKDXZDOPJ-FZMZJTMJSA-N 1 0 398.301 2.241 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cncc(Br)c1 ZINC000150848089 532302856 /nfs/dbraw/zinc/30/28/56/532302856.db2.gz RDXUEMGYHMEHSL-UHFFFAOYSA-N 1 0 377.242 2.257 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000150872897 532303247 /nfs/dbraw/zinc/30/32/47/532303247.db2.gz JMSRXFSKPDQPAD-LBPRGKRZSA-N 1 0 386.411 2.480 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)ccc1OC(F)F ZINC000181679706 532305447 /nfs/dbraw/zinc/30/54/47/532305447.db2.gz CKOGLEWHDWSFPN-RYUDHWBXSA-N 1 0 378.441 2.229 20 0 GEADRO CC1(C)[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H]2CCCO[C@@H]21 ZINC000181741214 532306062 /nfs/dbraw/zinc/30/60/62/532306062.db2.gz TVXQFWIVSFYGCF-MCIONIFRSA-N 1 0 384.464 2.341 20 0 GEADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2cccs2)c1 ZINC000181934966 532307794 /nfs/dbraw/zinc/30/77/94/532307794.db2.gz JHIWOJFCXGVKQY-STQMWFEESA-N 1 0 381.523 2.012 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Br)c[nH]1 ZINC000183401613 532324816 /nfs/dbraw/zinc/32/48/16/532324816.db2.gz STGLRXKPRQTVPT-HNNXBMFYSA-N 1 0 378.270 2.274 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c(Br)c1 ZINC000182066858 532309158 /nfs/dbraw/zinc/30/91/58/532309158.db2.gz KLTPXOPDXRYXTF-NEPJUHHUSA-N 1 0 391.331 2.390 20 0 GEADRO C[C@@H](CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)[NH+]1CCCCC1 ZINC000182238462 532310697 /nfs/dbraw/zinc/31/06/97/532310697.db2.gz OLEDSXCLEXJBGI-LBPRGKRZSA-N 1 0 393.962 2.061 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000182445019 532313383 /nfs/dbraw/zinc/31/33/83/532313383.db2.gz MQMVBZHKPWRFFL-XEZPLFJOSA-N 1 0 392.924 2.264 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2cc(F)ccc2Br)CC1 ZINC000182582434 532314952 /nfs/dbraw/zinc/31/49/52/532314952.db2.gz KINQXPSRNISASY-OAHLLOKOSA-N 1 0 387.293 2.436 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cnc1Br ZINC000182700279 532316703 /nfs/dbraw/zinc/31/67/03/532316703.db2.gz IOQRXHPFXGZTCA-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(Br)n1 ZINC000182811681 532317771 /nfs/dbraw/zinc/31/77/71/532317771.db2.gz YXYVDRQINQGKSD-LSDHHAIUSA-N 1 0 382.302 2.342 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183029727 532321053 /nfs/dbraw/zinc/32/10/53/532321053.db2.gz BTXPHNSVJMMZLY-QWHCGFSZSA-N 1 0 386.539 2.466 20 0 GEADRO C[C@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000183134028 532321609 /nfs/dbraw/zinc/32/16/09/532321609.db2.gz DVWOVTKDMRLZDK-CYBMUJFWSA-N 1 0 389.359 2.436 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cnc1Br ZINC000183353329 532324102 /nfs/dbraw/zinc/32/41/02/532324102.db2.gz ZTUOCCUKGDRSTQ-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3cc(F)c(F)cc3I)C[C@H]21 ZINC000185196022 532337144 /nfs/dbraw/zinc/33/71/44/532337144.db2.gz YKJINITZVIGCML-HBSDOPKDSA-N 1 0 392.187 2.379 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000185333821 532337636 /nfs/dbraw/zinc/33/76/36/532337636.db2.gz ITLJGPLHXIWDTR-ZDUSSCGKSA-N 1 0 379.448 2.010 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000185349337 532337639 /nfs/dbraw/zinc/33/76/39/532337639.db2.gz IDLRPXNWRFBUPI-LBPRGKRZSA-N 1 0 380.341 2.298 20 0 GEADRO CSc1ccc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000185327200 532337696 /nfs/dbraw/zinc/33/76/96/532337696.db2.gz KUBBBLSZOFGLQX-CYBMUJFWSA-N 1 0 391.990 2.366 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000185677901 532338390 /nfs/dbraw/zinc/33/83/90/532338390.db2.gz FBPZBMLLROTLJE-LLVKDONJSA-N 1 0 389.315 2.220 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000185705253 532338415 /nfs/dbraw/zinc/33/84/15/532338415.db2.gz JVFGTIDUWSRHCQ-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1Cc2cccc(Br)c2C1 ZINC000185827253 532338935 /nfs/dbraw/zinc/33/89/35/532338935.db2.gz FEIIRCDDODZVCL-CYBMUJFWSA-N 1 0 381.318 2.110 20 0 GEADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000185912132 532339028 /nfs/dbraw/zinc/33/90/28/532339028.db2.gz TYEOVWFFSBIZES-KRWDZBQOSA-N 1 0 380.897 2.071 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000185934676 532339220 /nfs/dbraw/zinc/33/92/20/532339220.db2.gz DMYMPCKLVLIJAU-PWSUYJOCSA-N 1 0 389.315 2.361 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000186205224 532340098 /nfs/dbraw/zinc/34/00/98/532340098.db2.gz GUJDCWOCSMAQBO-GFCCVEGCSA-N 1 0 377.304 2.220 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000186717815 532341788 /nfs/dbraw/zinc/34/17/88/532341788.db2.gz NQIXKMVUAILAFR-LRDDRELGSA-N 1 0 387.933 2.098 20 0 GEADRO CSCC[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1nnc2ccccn21 ZINC000186953036 532342758 /nfs/dbraw/zinc/34/27/58/532342758.db2.gz DHGXCPQZMOADTR-UKRRQHHQSA-N 1 0 382.555 2.326 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000187091449 532343141 /nfs/dbraw/zinc/34/31/41/532343141.db2.gz AUAVZOLWXPKRBI-CJNGLKHVSA-N 1 0 375.282 2.010 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000183982769 532330401 /nfs/dbraw/zinc/33/04/01/532330401.db2.gz FMSMNDFCILAVCC-UHFFFAOYSA-N 1 0 380.440 2.095 20 0 GEADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccc(I)c1 ZINC000184084400 532330816 /nfs/dbraw/zinc/33/08/16/532330816.db2.gz WAOFAVMIQUTICO-UHFFFAOYSA-N 1 0 396.294 2.157 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000184325263 532332016 /nfs/dbraw/zinc/33/20/16/532332016.db2.gz FBOLDCHKZMUZMF-CABCVRRESA-N 1 0 398.345 2.359 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1cc(F)ccc1Br ZINC000184382651 532332590 /nfs/dbraw/zinc/33/25/90/532332590.db2.gz HGUSMJINIQCGQQ-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO C[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000184636572 532333887 /nfs/dbraw/zinc/33/38/87/532333887.db2.gz NCMWRPILJNXWPU-GOEBONIOSA-N 1 0 384.567 2.432 20 0 GEADRO CS(=O)(=O)NCC[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000187837078 532345750 /nfs/dbraw/zinc/34/57/50/532345750.db2.gz SBMNVRCJMIZVDD-UHFFFAOYSA-N 1 0 380.432 2.345 20 0 GEADRO CSC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000187955124 532346136 /nfs/dbraw/zinc/34/61/36/532346136.db2.gz SKVYMEIFHOANMC-CYBMUJFWSA-N 1 0 388.331 2.219 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188168326 532347075 /nfs/dbraw/zinc/34/70/75/532347075.db2.gz VLOYJELKJBYVMO-AWEZNQCLSA-N 1 0 389.327 2.186 20 0 GEADRO CCC(CC)[C@H](CNS(=O)(=O)c1c(C)csc1C(=O)OC)[NH+](C)C ZINC000188209769 532347342 /nfs/dbraw/zinc/34/73/42/532347342.db2.gz CEEVPHHTWNQLPZ-ZDUSSCGKSA-N 1 0 376.544 2.488 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000188242891 532347525 /nfs/dbraw/zinc/34/75/25/532347525.db2.gz SEKDBASTSYAEEU-UHFFFAOYSA-N 1 0 394.313 2.281 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Br)cc2N)CC1 ZINC000188390813 532348080 /nfs/dbraw/zinc/34/80/80/532348080.db2.gz JVLRDRUFXMDYRB-OAHLLOKOSA-N 1 0 395.345 2.273 20 0 GEADRO C[S@](=O)CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188738646 532349357 /nfs/dbraw/zinc/34/93/57/532349357.db2.gz GYPDANUWWHIDSB-NRFANRHFSA-N 1 0 375.332 2.144 20 0 GEADRO O=C1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CN1C1CC1 ZINC000188749247 532349381 /nfs/dbraw/zinc/34/93/81/532349381.db2.gz KPNHHAVFISRUKR-OAHLLOKOSA-N 1 0 394.313 2.139 20 0 GEADRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188741633 532349472 /nfs/dbraw/zinc/34/94/72/532349472.db2.gz GVBGOSYSZKEETE-INIZCTEOSA-N 1 0 389.359 2.489 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000188883005 532349965 /nfs/dbraw/zinc/34/99/65/532349965.db2.gz SFIJPPZMLZFHHW-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000188882984 532349978 /nfs/dbraw/zinc/34/99/78/532349978.db2.gz SFIJPPZMLZFHHW-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)ncc1Cl ZINC000188942203 532350393 /nfs/dbraw/zinc/35/03/93/532350393.db2.gz WLJVAUAVUNURSU-NSHDSACASA-N 1 0 390.709 2.464 20 0 GEADRO NC(=O)C[C@@H]([NH2+]CCOc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000189439193 532352332 /nfs/dbraw/zinc/35/23/32/532352332.db2.gz BMIGSYFRYDNAHX-OAHLLOKOSA-N 1 0 389.265 2.227 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCc2sccc21 ZINC000189826913 532353798 /nfs/dbraw/zinc/35/37/98/532353798.db2.gz YLEMRQBKYHWESJ-OAHLLOKOSA-N 1 0 382.555 2.479 20 0 GEADRO Cc1cc(NC(=O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1Br ZINC000189886804 532353996 /nfs/dbraw/zinc/35/39/96/532353996.db2.gz HVNZFCKAKJRPJG-CQSZACIVSA-N 1 0 398.345 2.473 20 0 GEADRO C[C@@H]1CN(Cc2cc3c(c(Br)c2)OCO3)CC[N@@H+]1CC(C)(C)O ZINC000189935001 532354092 /nfs/dbraw/zinc/35/40/92/532354092.db2.gz QYQQAMHVKXJXLM-GFCCVEGCSA-N 1 0 385.302 2.455 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000190109154 532354998 /nfs/dbraw/zinc/35/49/98/532354998.db2.gz TTYRAHIHUFSXSH-ZYHUDNBSSA-N 1 0 384.249 2.222 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000190243284 532355257 /nfs/dbraw/zinc/35/52/57/532355257.db2.gz UEIJKUITEGMRBH-MBNYWOFBSA-N 1 0 388.555 2.488 20 0 GEADRO Cc1cccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1Br ZINC000190495389 532356341 /nfs/dbraw/zinc/35/63/41/532356341.db2.gz BOXCSRYXEABREO-UHFFFAOYSA-N 1 0 384.318 2.356 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000190548652 532356711 /nfs/dbraw/zinc/35/67/11/532356711.db2.gz SLYLBDUUSBYHMR-HNNXBMFYSA-N 1 0 386.480 2.216 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000190687309 532357471 /nfs/dbraw/zinc/35/74/71/532357471.db2.gz VKWXAZGJLUKWKX-AWEZNQCLSA-N 1 0 391.306 2.447 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[N@H+](C)C1CC1 ZINC000190837614 532358275 /nfs/dbraw/zinc/35/82/75/532358275.db2.gz PLRAMVJAHUQCTG-MRVPVSSYSA-N 1 0 390.228 2.265 20 0 GEADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H]1CO ZINC000190838356 532358287 /nfs/dbraw/zinc/35/82/87/532358287.db2.gz GPFSUQLLZNLAKL-NTZNESFSSA-N 1 0 378.694 2.402 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190961077 532358908 /nfs/dbraw/zinc/35/89/08/532358908.db2.gz VVSGIBOFANKNAT-UHFFFAOYSA-N 1 0 378.217 2.076 20 0 GEADRO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1(CO)CCOCC1 ZINC000191030958 532359330 /nfs/dbraw/zinc/35/93/30/532359330.db2.gz HMTCNYLVUFAORB-UHFFFAOYSA-N 1 0 393.228 2.139 20 0 GEADRO O=C(CN1CCCN(c2nnc(C(F)(F)F)s2)CC1)N1CCCCC1 ZINC000191310283 532360287 /nfs/dbraw/zinc/36/02/87/532360287.db2.gz OUHRUBYHVHSGSW-UHFFFAOYSA-N 1 0 377.436 2.082 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000187721574 532345315 /nfs/dbraw/zinc/34/53/15/532345315.db2.gz MCWCOMUDVWIZBI-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000647256902 532372095 /nfs/dbraw/zinc/37/20/95/532372095.db2.gz KILYEIWONSOLFO-GFCCVEGCSA-N 1 0 377.304 2.076 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc21 ZINC000647259672 532372364 /nfs/dbraw/zinc/37/23/64/532372364.db2.gz MCODKTBGNRFRMR-WDEREUQCSA-N 1 0 386.315 2.489 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1Br ZINC000647257192 532372460 /nfs/dbraw/zinc/37/24/60/532372460.db2.gz VDPMTAMQLODCJK-CYBMUJFWSA-N 1 0 377.304 2.076 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647265463 532373240 /nfs/dbraw/zinc/37/32/40/532373240.db2.gz KJZUNRCCZGLPRY-WDEREUQCSA-N 1 0 386.315 2.299 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000191922698 532373601 /nfs/dbraw/zinc/37/36/01/532373601.db2.gz SJYJFXSNBXEWJV-UHFFFAOYSA-N 1 0 386.265 2.437 20 0 GEADRO CC[N@H+](CCNC(=O)c1[nH]nc2ccc(I)cc21)C1CC1 ZINC000463476272 532374086 /nfs/dbraw/zinc/37/40/86/532374086.db2.gz BGRJHCLSMAXAEA-UHFFFAOYSA-N 1 0 398.248 2.382 20 0 GEADRO Cn1ncc(Br)c1CNc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000278328243 532374216 /nfs/dbraw/zinc/37/42/16/532374216.db2.gz FQRZVMRXDMPVCX-OAHLLOKOSA-N 1 0 392.301 2.244 20 0 GEADRO OCCN1CCCC[C@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000647530017 532374603 /nfs/dbraw/zinc/37/46/03/532374603.db2.gz CNGSOWGRVUKQOT-GJZGRUSLSA-N 1 0 377.312 2.170 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000278317705 532374922 /nfs/dbraw/zinc/37/49/22/532374922.db2.gz FELDZPUCSBOAMU-MRXNPFEDSA-N 1 0 379.302 2.346 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2c(F)cc(C)cc2F)CC1 ZINC000425213961 532375301 /nfs/dbraw/zinc/37/53/01/532375301.db2.gz DJOIMCNJQUARFJ-UHFFFAOYSA-N 1 0 376.469 2.441 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCCC(F)(F)[C@@H]1O)c1cccc(Br)c1 ZINC000647537626 532375540 /nfs/dbraw/zinc/37/55/40/532375540.db2.gz YDABXJCBOURQET-QWHCGFSZSA-N 1 0 398.269 2.361 20 0 GEADRO [NH3+]Cc1cc(C(=O)NCc2cc(Br)c3c(c2)OCCO3)ccn1 ZINC000463480123 532376271 /nfs/dbraw/zinc/37/62/71/532376271.db2.gz VQTUXLSWLYTQEO-UHFFFAOYSA-N 1 0 378.226 2.004 20 0 GEADRO COC[C@@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191455345 532361003 /nfs/dbraw/zinc/36/10/03/532361003.db2.gz YDYKMBVXMTZCEW-CYBMUJFWSA-N 1 0 384.318 2.418 20 0 GEADRO O[C@H](CN1CCOCC1)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191463910 532361072 /nfs/dbraw/zinc/36/10/72/532361072.db2.gz WFUTZTRRPVMTCJ-GOSISDBHSA-N 1 0 383.330 2.354 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000191552149 532361365 /nfs/dbraw/zinc/36/13/65/532361365.db2.gz RSEIBDGSGXDRES-UHFFFAOYSA-N 1 0 382.346 2.396 20 0 GEADRO CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191609333 532361572 /nfs/dbraw/zinc/36/15/72/532361572.db2.gz RJKAJFIMUHDXSL-UHFFFAOYSA-N 1 0 396.329 2.244 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2nc(Br)ccc2C)CC1 ZINC000191630138 532361686 /nfs/dbraw/zinc/36/16/86/532361686.db2.gz OBURXHVPGXTDKI-ZDUSSCGKSA-N 1 0 383.334 2.156 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2nc(Br)ccc2C)CC1 ZINC000191630151 532361704 /nfs/dbraw/zinc/36/17/04/532361704.db2.gz OBURXHVPGXTDKI-CYBMUJFWSA-N 1 0 383.334 2.156 20 0 GEADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000191680048 532361871 /nfs/dbraw/zinc/36/18/71/532361871.db2.gz XTEWWVCFLBBIRX-ZFWWWQNUSA-N 1 0 390.285 2.059 20 0 GEADRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191679857 532361985 /nfs/dbraw/zinc/36/19/85/532361985.db2.gz VJGGYFJIYXFVKW-HNNXBMFYSA-N 1 0 396.329 2.244 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nn(C)cc2Br)[C@@H](C)C1 ZINC000294502623 532362539 /nfs/dbraw/zinc/36/25/39/532362539.db2.gz YIRLBRJOPLUWKV-GXTWGEPZSA-N 1 0 387.322 2.049 20 0 GEADRO CC[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC[C@H]1[NH3+] ZINC000647005122 532363541 /nfs/dbraw/zinc/36/35/41/532363541.db2.gz WBIJQSPPXLEDIS-UONOGXRCSA-N 1 0 385.555 2.122 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[C@H]1[NH3+] ZINC000647003754 532363685 /nfs/dbraw/zinc/36/36/85/532363685.db2.gz AKCJNPMFKVXITL-DVOMOZLQSA-N 1 0 394.313 2.388 20 0 GEADRO CC1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000646993102 532363714 /nfs/dbraw/zinc/36/37/14/532363714.db2.gz HPXGINLFVIJROF-HNNXBMFYSA-N 1 0 394.313 2.394 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000647010867 532363765 /nfs/dbraw/zinc/36/37/65/532363765.db2.gz YEGMTCQDCNDTAO-GMTAPVOTSA-N 1 0 388.331 2.215 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000646998120 532363945 /nfs/dbraw/zinc/36/39/45/532363945.db2.gz PPEXUHFGWNNXMC-WDEREUQCSA-N 1 0 389.315 2.161 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000647034470 532365225 /nfs/dbraw/zinc/36/52/25/532365225.db2.gz SRKLVPQUICQYFS-QWRGUYRKSA-N 1 0 375.238 2.238 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ncc(Br)cc1Br ZINC000647034798 532365412 /nfs/dbraw/zinc/36/54/12/532365412.db2.gz AZMVWQAZFAFOEQ-IUCAKERBSA-N 1 0 395.070 2.379 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000371962245 532365478 /nfs/dbraw/zinc/36/54/78/532365478.db2.gz KHNDSAFQAVIZAG-LBPRGKRZSA-N 1 0 384.249 2.223 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Cc1cc3c(cc1Br)OCCO3)C2 ZINC000621699294 532365765 /nfs/dbraw/zinc/36/57/65/532365765.db2.gz RBWFCIFNYLHYBC-PXAZEXFGSA-N 1 0 381.270 2.103 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c[nH]c1=O ZINC000621702240 532366335 /nfs/dbraw/zinc/36/63/35/532366335.db2.gz MWWZMVLEVSDPSX-CQSZACIVSA-N 1 0 378.270 2.452 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)COc1cccc(I)c1 ZINC000590334115 532367907 /nfs/dbraw/zinc/36/79/07/532367907.db2.gz DNFIULHPQPRIRT-ZIAGYGMSSA-N 1 0 388.249 2.269 20 0 GEADRO O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000557554387 532368268 /nfs/dbraw/zinc/36/82/68/532368268.db2.gz LTYJHZCCYAOOKQ-UKRRQHHQSA-N 1 0 379.492 2.204 20 0 GEADRO CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000463181605 532368704 /nfs/dbraw/zinc/36/87/04/532368704.db2.gz CHOFSWSGDNXHSO-HNNXBMFYSA-N 1 0 382.302 2.321 20 0 GEADRO O=C(c1cccnc1-n1cc(Br)cn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000294584629 532369294 /nfs/dbraw/zinc/36/92/94/532369294.db2.gz BURWGKSTXOHXKS-AWEZNQCLSA-N 1 0 390.285 2.340 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000557597855 532369782 /nfs/dbraw/zinc/36/97/82/532369782.db2.gz QODRAINABJNZIG-QWHCGFSZSA-N 1 0 398.301 2.199 20 0 GEADRO CS(=O)(=O)c1cc(Br)cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1F ZINC000647150868 532369996 /nfs/dbraw/zinc/36/99/96/532369996.db2.gz PJBFGYOULVKZCW-VIFPVBQESA-N 1 0 390.234 2.466 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc([C@@H]4CCC[NH2+]4)no3)C2)s1 ZINC000647154036 532370157 /nfs/dbraw/zinc/37/01/57/532370157.db2.gz RUPGUXZTXOWXNF-OLZOCXBDSA-N 1 0 382.511 2.432 20 0 GEADRO OC[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCC1(F)F ZINC000463220202 532370237 /nfs/dbraw/zinc/37/02/37/532370237.db2.gz QGTALUYFWQMTKP-GWCFXTLKSA-N 1 0 398.219 2.277 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000463259106 532371122 /nfs/dbraw/zinc/37/11/22/532371122.db2.gz OEEDAPNTRFGOGW-UHFFFAOYSA-N 1 0 380.286 2.445 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647247318 532371292 /nfs/dbraw/zinc/37/12/92/532371292.db2.gz IHINOYDCTVVQLO-QGZVFWFLSA-N 1 0 375.918 2.401 20 0 GEADRO C[NH+](C)CCOc1cnccc1CNS(=O)(=O)c1c(F)cccc1Cl ZINC000515700916 532371428 /nfs/dbraw/zinc/37/14/28/532371428.db2.gz FWTLAAZNFSBQSD-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@]1(F)CC[NH2+]C1 ZINC000372118373 532371555 /nfs/dbraw/zinc/37/15/55/532371555.db2.gz HBLJYNSJUXHLMY-KRWDZBQOSA-N 1 0 385.277 2.315 20 0 GEADRO CC[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)C(=O)NCc1cccs1 ZINC000647242283 532371711 /nfs/dbraw/zinc/37/17/11/532371711.db2.gz NARXEESCVDPUPW-MRXNPFEDSA-N 1 0 381.523 2.304 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc21 ZINC000647249648 532371888 /nfs/dbraw/zinc/37/18/88/532371888.db2.gz HRTBQTWMSPKHTM-INIZCTEOSA-N 1 0 398.326 2.315 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647247317 532371902 /nfs/dbraw/zinc/37/19/02/532371902.db2.gz IHINOYDCTVVQLO-KRWDZBQOSA-N 1 0 375.918 2.401 20 0 GEADRO CCOCCOC[C@H](O)CNc1cc[nH+]c2cc(OC)c(Br)cc12 ZINC000425254776 532379033 /nfs/dbraw/zinc/37/90/33/532379033.db2.gz MLJMSAGNLLPQPK-GFCCVEGCSA-N 1 0 399.285 2.254 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)c2c[nH]c3ccc(Br)cc32)CC1 ZINC000677583187 532379093 /nfs/dbraw/zinc/37/90/93/532379093.db2.gz WOZRIRKYUAYLET-CYBMUJFWSA-N 1 0 380.286 2.459 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CCC2(C[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000647621962 532379337 /nfs/dbraw/zinc/37/93/37/532379337.db2.gz MLKUNMWMFAHRLW-INIZCTEOSA-N 1 0 394.313 2.181 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000463667570 532379535 /nfs/dbraw/zinc/37/95/35/532379535.db2.gz UEBKLPRGBPZEMF-AOOOYVTPSA-N 1 0 378.420 2.480 20 0 GEADRO O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[NH+]2CCC1CC2 ZINC000516105648 532379772 /nfs/dbraw/zinc/37/97/72/532379772.db2.gz JUPUBNVYDPAZQI-AWEZNQCLSA-N 1 0 378.270 2.182 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(Cl)c(F)cc1Br ZINC000294744175 532379751 /nfs/dbraw/zinc/37/97/51/532379751.db2.gz WUULYAGYXNAAHJ-SECBINFHSA-N 1 0 378.673 2.217 20 0 GEADRO O=C(c1[nH]c2ccccc2c1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706314 532380362 /nfs/dbraw/zinc/38/03/62/532380362.db2.gz HHOTYOITYOHMLE-NEPJUHHUSA-N 1 0 378.270 2.212 20 0 GEADRO CN(CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F)S(C)(=O)=O ZINC000677651582 532380590 /nfs/dbraw/zinc/38/05/90/532380590.db2.gz CPMZONSPWSCPHF-ZDUSSCGKSA-N 1 0 379.295 2.447 20 0 GEADRO COc1ccc(CCC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1Br ZINC000647707680 532380628 /nfs/dbraw/zinc/38/06/28/532380628.db2.gz BNICGGILNDBYJZ-GJZGRUSLSA-N 1 0 397.313 2.058 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(F)cc1Br ZINC000516162805 532381245 /nfs/dbraw/zinc/38/12/45/532381245.db2.gz BRWTZAORROILEY-INIZCTEOSA-N 1 0 384.249 2.047 20 0 GEADRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000677694506 532381342 /nfs/dbraw/zinc/38/13/42/532381342.db2.gz ZXCAELBUZYAVGK-KGLIPLIRSA-N 1 0 385.917 2.210 20 0 GEADRO O=C(Cc1c[nH]c2cccc(Br)c12)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647709286 532381424 /nfs/dbraw/zinc/38/14/24/532381424.db2.gz UQCRVSMWXMAVDK-UONOGXRCSA-N 1 0 392.297 2.140 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1c(Cl)cccc1I ZINC000463770045 532381509 /nfs/dbraw/zinc/38/15/09/532381509.db2.gz QPTUBLBBRSNADP-UHFFFAOYSA-N 1 0 396.656 2.253 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000647888972 532382422 /nfs/dbraw/zinc/38/24/22/532382422.db2.gz SQSGKZTXQUCVKT-GWCFXTLKSA-N 1 0 389.315 2.097 20 0 GEADRO Cn1ncc(Br)c1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000278492768 532382536 /nfs/dbraw/zinc/38/25/36/532382536.db2.gz MISSUJHTIOPCCX-RDJZCZTQSA-N 1 0 393.329 2.155 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000516180087 532382692 /nfs/dbraw/zinc/38/26/92/532382692.db2.gz XFLCGTPLTXMFDX-NFAWXSAZSA-N 1 0 386.334 2.334 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000516192166 532382919 /nfs/dbraw/zinc/38/29/19/532382919.db2.gz UUGWADCRCXORNG-CYBMUJFWSA-N 1 0 387.933 2.229 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCC(O)CC1 ZINC000294808322 532383479 /nfs/dbraw/zinc/38/34/79/532383479.db2.gz JCIGEACCSRSYLP-ZDUSSCGKSA-N 1 0 384.318 2.213 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1Br ZINC000278517758 532384218 /nfs/dbraw/zinc/38/42/18/532384218.db2.gz FTEPRSDPASNUKS-LBPRGKRZSA-N 1 0 397.317 2.280 20 0 GEADRO OC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2CN2CC[C@H](CO)C2)C1 ZINC000192073576 532384279 /nfs/dbraw/zinc/38/42/79/532384279.db2.gz DOQBPIVSRVENTG-LSDHHAIUSA-N 1 0 383.330 2.078 20 0 GEADRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073125 532384980 /nfs/dbraw/zinc/38/49/80/532384980.db2.gz WUOLMWWXICGEHN-SWLSCSKDSA-N 1 0 380.286 2.012 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000425413164 532385186 /nfs/dbraw/zinc/38/51/86/532385186.db2.gz BBFREPNEUSAWFO-PBHICJAKSA-N 1 0 383.583 2.447 20 0 GEADRO CSc1cccc(S(=O)(=O)NCc2ccncc2OCC[NH+](C)C)c1 ZINC000558091873 532385643 /nfs/dbraw/zinc/38/56/43/532385643.db2.gz KNVSZLYYJLTBEH-UHFFFAOYSA-N 1 0 381.523 2.222 20 0 GEADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123298 532386263 /nfs/dbraw/zinc/38/62/63/532386263.db2.gz QZYHJKHSUBNRJO-MEBBXXQBSA-N 1 0 376.254 2.115 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)N1CCNC(=O)[C@H]1c1cccs1)c1cccs1 ZINC000463958925 532386685 /nfs/dbraw/zinc/38/66/85/532386685.db2.gz RORXERJZWKTCRN-IUODEOHRSA-N 1 0 378.523 2.295 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123502 532386793 /nfs/dbraw/zinc/38/67/93/532386793.db2.gz YBDSYARRZQIGSV-SWLSCSKDSA-N 1 0 395.301 2.171 20 0 GEADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000558157036 532386798 /nfs/dbraw/zinc/38/67/98/532386798.db2.gz NPSIFYWZLXHWAR-WBVHZDCISA-N 1 0 399.329 2.427 20 0 GEADRO CN(C(=O)c1n[nH]c2ccc(I)cc21)[C@H]1CCC[N@H+](C)C1 ZINC000463996181 532388128 /nfs/dbraw/zinc/38/81/28/532388128.db2.gz KHMPVJBXBGFLIH-NSHDSACASA-N 1 0 398.248 2.334 20 0 GEADRO COC(=O)c1cc(NC(=O)NC[C@H](C)[NH+](C)C)c(Br)cc1F ZINC000590817752 532388373 /nfs/dbraw/zinc/38/83/73/532388373.db2.gz JODLIIUWCLGGAJ-QMMMGPOBSA-N 1 0 376.226 2.446 20 0 GEADRO C[NH+](C)CCCCC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000677973859 532388464 /nfs/dbraw/zinc/38/84/64/532388464.db2.gz JDHSFHCXKQJLII-MRXNPFEDSA-N 1 0 382.302 2.181 20 0 GEADRO [NH3+][C@H]1C[C@H]2CN(Cc3ccc(Br)cc3C(F)(F)F)CCN2C1=O ZINC000516785808 532390950 /nfs/dbraw/zinc/39/09/50/532390950.db2.gz WYMWSYZBFGNBSA-AAEUAGOBSA-N 1 0 392.219 2.212 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1cc(F)c(Br)cc1F ZINC000623910493 532391269 /nfs/dbraw/zinc/39/12/69/532391269.db2.gz QRUWWOFNEUSVPO-UWVGGRQHSA-N 1 0 377.229 2.361 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)c(F)cc1F ZINC000192179884 532391646 /nfs/dbraw/zinc/39/16/46/532391646.db2.gz AVTNEJHIIZFKSY-SNVBAGLBSA-N 1 0 377.229 2.304 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000648281057 532391933 /nfs/dbraw/zinc/39/19/33/532391933.db2.gz MQYQANHTWJKPKE-DLBZAZTESA-N 1 0 381.314 2.358 20 0 GEADRO CCC1(CC)CN(C(=O)NCCC[NH+](C(C)C)C(C)C)CCS1(=O)=O ZINC000464198872 532392495 /nfs/dbraw/zinc/39/24/95/532392495.db2.gz OWVHVRFBWNWCBJ-UHFFFAOYSA-N 1 0 375.579 2.494 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000648281060 532392715 /nfs/dbraw/zinc/39/27/15/532392715.db2.gz MQYQANHTWJKPKE-SJORKVTESA-N 1 0 381.314 2.358 20 0 GEADRO O=C(c1cc2sccc2s1)N1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000372497787 532393284 /nfs/dbraw/zinc/39/32/84/532393284.db2.gz UYSXHISAHNVBSC-SGTLLEGYSA-N 1 0 375.519 2.247 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000623967509 532393482 /nfs/dbraw/zinc/39/34/82/532393482.db2.gz VREWIAJCDGBIBV-CQSZACIVSA-N 1 0 384.929 2.493 20 0 GEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)Cc3sccc3Br)C2)CC1 ZINC000648316252 532393944 /nfs/dbraw/zinc/39/39/44/532393944.db2.gz VCDKZLZPNLGGGG-LBPRGKRZSA-N 1 0 386.359 2.338 20 0 GEADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000624007260 532394155 /nfs/dbraw/zinc/39/41/55/532394155.db2.gz QUJWBZDNZPANCD-ONGXEEELSA-N 1 0 385.839 2.308 20 0 GEADRO COc1cc(Cl)c(Br)cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000192189211 532394259 /nfs/dbraw/zinc/39/42/59/532394259.db2.gz HBHXZMADZDXLBF-AWEZNQCLSA-N 1 0 379.682 2.154 20 0 GEADRO O=C(C[C@@H]1CCC[NH2+]CC1)NCCCNC(=O)c1cccc(Br)c1 ZINC000372487090 532394480 /nfs/dbraw/zinc/39/44/80/532394480.db2.gz ZHYVYCNKUKTSCL-CQSZACIVSA-N 1 0 396.329 2.465 20 0 GEADRO C[C@H](NC(=O)c1cccnc1-n1cc(Br)cn1)C1CC[NH+](C)CC1 ZINC000648323496 532394451 /nfs/dbraw/zinc/39/44/51/532394451.db2.gz UGNGHZDDTAUDCH-LBPRGKRZSA-N 1 0 392.301 2.490 20 0 GEADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000624007258 532394754 /nfs/dbraw/zinc/39/47/54/532394754.db2.gz QUJWBZDNZPANCD-KOLCDFICSA-N 1 0 385.839 2.308 20 0 GEADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000624011772 532394969 /nfs/dbraw/zinc/39/49/69/532394969.db2.gz IQMVXEJCMOIXFD-NHYWBVRUSA-N 1 0 382.810 2.442 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]CCCc2cccc(Br)c2)CC1 ZINC000678584414 532398130 /nfs/dbraw/zinc/39/81/30/532398130.db2.gz XLZQWTQLFMRJIE-UHFFFAOYSA-N 1 0 375.332 2.395 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc(F)cc(Br)c2)C1=O ZINC000648466308 532398847 /nfs/dbraw/zinc/39/88/47/532398847.db2.gz LPXYYDVSLOTEPK-BZNIZROVSA-N 1 0 384.249 2.398 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)[NH+](C)C ZINC000678522113 532397359 /nfs/dbraw/zinc/39/73/59/532397359.db2.gz PHIFWPCXJBWKKK-SNVBAGLBSA-N 1 0 384.267 2.184 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000591188146 532401019 /nfs/dbraw/zinc/40/10/19/532401019.db2.gz IILQSVZQMLZGFT-GFCCVEGCSA-N 1 0 391.331 2.069 20 0 GEADRO Cc1ccc(-n2ncc(NCCN3CC[C@@H](O)C3)c(Cl)c2=O)cc1Cl ZINC000624677719 532402697 /nfs/dbraw/zinc/40/26/97/532402697.db2.gz KKVWPAQPSXTBAP-CYBMUJFWSA-N 1 0 383.279 2.326 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000648834992 532403261 /nfs/dbraw/zinc/40/32/61/532403261.db2.gz LBILVEPKDMANLQ-NSHDSACASA-N 1 0 384.807 2.042 20 0 GEADRO COC1CC[NH+](CCNC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648814538 532403403 /nfs/dbraw/zinc/40/34/03/532403403.db2.gz GRVROPIGXAPYNU-UHFFFAOYSA-N 1 0 395.301 2.176 20 0 GEADRO CCc1n[nH]c(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1Br ZINC000279749498 532401909 /nfs/dbraw/zinc/40/19/09/532401909.db2.gz OITAITSAPRLPBB-VXGBXAGGSA-N 1 0 387.347 2.386 20 0 GEADRO O=C1CNC(=O)N1CC[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000559479055 532403824 /nfs/dbraw/zinc/40/38/24/532403824.db2.gz JUTNFHZJRHZFAF-CQSZACIVSA-N 1 0 380.286 2.398 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CC(C)(C)C(F)(F)CC)CC1 ZINC000625018232 532403918 /nfs/dbraw/zinc/40/39/18/532403918.db2.gz PKMHFWLMPYIKFB-OAHLLOKOSA-N 1 0 383.549 2.251 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591292067 532405979 /nfs/dbraw/zinc/40/59/79/532405979.db2.gz XLIYEVHKWODARO-HZMBPMFUSA-N 1 0 382.258 2.451 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Br)ccc3O)C2)CC1 ZINC000372737555 532404352 /nfs/dbraw/zinc/40/43/52/532404352.db2.gz FJBOPCQHVRXYTH-OAHLLOKOSA-N 1 0 396.329 2.395 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000372723375 532404474 /nfs/dbraw/zinc/40/44/74/532404474.db2.gz HJEGKZJEDXMLSO-GFCCVEGCSA-N 1 0 380.286 2.459 20 0 GEADRO CC(C)(C)[NH+]1CCC(Nc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000679467276 532404843 /nfs/dbraw/zinc/40/48/43/532404843.db2.gz WUIZXUVCVJGYQK-UHFFFAOYSA-N 1 0 391.335 2.166 20 0 GEADRO CCCCN(CCCC)S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000517088265 532405387 /nfs/dbraw/zinc/40/53/87/532405387.db2.gz RMUJFHATWAOYMQ-UHFFFAOYSA-N 1 0 375.579 2.368 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000591302002 532405658 /nfs/dbraw/zinc/40/56/58/532405658.db2.gz KTCSVYSWWPILDX-UWVGGRQHSA-N 1 0 388.237 2.399 20 0 GEADRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000464853018 532406837 /nfs/dbraw/zinc/40/68/37/532406837.db2.gz JETGSXWXEDSCSV-CQSZACIVSA-N 1 0 387.571 2.305 20 0 GEADRO C[N@H+](CC(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F)[C@@H]1CCSC1 ZINC000679693618 532407197 /nfs/dbraw/zinc/40/71/97/532407197.db2.gz TVTOQGZQLUNGGH-HUUCEWRRSA-N 1 0 376.444 2.376 20 0 GEADRO Cc1ccc(I)cc1NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000591299848 532406307 /nfs/dbraw/zinc/40/63/07/532406307.db2.gz ILTBUMUTVHDJJZ-MFKMUULPSA-N 1 0 389.237 2.180 20 0 GEADRO C[C@@H](CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)n1cc(Br)cn1 ZINC000648880700 532406662 /nfs/dbraw/zinc/40/66/62/532406662.db2.gz XHHVYPKILNFOCA-KBPBESRZSA-N 1 0 387.322 2.214 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCC1 ZINC000280225080 532409247 /nfs/dbraw/zinc/40/92/47/532409247.db2.gz LOBMOXZGFJKTBE-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCN1C ZINC000517231138 532409665 /nfs/dbraw/zinc/40/96/65/532409665.db2.gz SNPUJAIQGFIXNS-GXTWGEPZSA-N 1 0 375.332 2.295 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)NC/C=C\C[NH3+] ZINC000591357460 532410200 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COc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000192807182 532411358 /nfs/dbraw/zinc/41/13/58/532411358.db2.gz GMEHWOHFOPACAZ-LBPRGKRZSA-N 1 0 376.906 2.367 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1c(F)cccc1Br)CCO2 ZINC000280254476 532411443 /nfs/dbraw/zinc/41/14/43/532411443.db2.gz KVBHYBSYFXUHSV-ABAIWWIYSA-N 1 0 392.290 2.414 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000517243961 532412011 /nfs/dbraw/zinc/41/20/11/532412011.db2.gz VIBSZTUHCOCASW-INIZCTEOSA-N 1 0 388.325 2.018 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000591473901 532413130 /nfs/dbraw/zinc/41/31/30/532413130.db2.gz SMVLFLAYTSBNLL-OAHLLOKOSA-N 1 0 399.329 2.381 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591449631 532412308 /nfs/dbraw/zinc/41/23/08/532412308.db2.gz YUPHUFYQAZUSAT-IUODEOHRSA-N 1 0 399.276 2.222 20 0 GEADRO Cn1ncc(Br)c1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649104904 532412741 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COc1cc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)c(Br)cc1O ZINC000649195182 532414711 /nfs/dbraw/zinc/41/47/11/532414711.db2.gz AORUXWHVVSPFNL-LLVKDONJSA-N 1 0 389.315 2.217 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591448902 532413172 /nfs/dbraw/zinc/41/31/72/532413172.db2.gz PWPTVDHSPUVEEI-XUJVJEKNSA-N 1 0 399.276 2.302 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000192821317 532413377 /nfs/dbraw/zinc/41/33/77/532413377.db2.gz VXDUCLBCSZVRBA-LBPRGKRZSA-N 1 0 376.906 2.462 20 0 GEADRO CCO[C@H](C[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1)C1CC1 ZINC000625219604 532416764 /nfs/dbraw/zinc/41/67/64/532416764.db2.gz BKWOZDLVPWSYKX-CQSZACIVSA-N 1 0 385.306 2.185 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000295182817 532415002 /nfs/dbraw/zinc/41/50/02/532415002.db2.gz MXEKJMJZMKAMSC-LBPRGKRZSA-N 1 0 387.274 2.254 20 0 GEADRO COc1cc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)c(Br)cc1O ZINC000649195183 532415029 /nfs/dbraw/zinc/41/50/29/532415029.db2.gz AORUXWHVVSPFNL-NSHDSACASA-N 1 0 389.315 2.217 20 0 GEADRO CCO[C@@H](C[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1)C1CC1 ZINC000625219599 532415917 /nfs/dbraw/zinc/41/59/17/532415917.db2.gz BKWOZDLVPWSYKX-AWEZNQCLSA-N 1 0 385.306 2.185 20 0 GEADRO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000427207426 532416041 /nfs/dbraw/zinc/41/60/41/532416041.db2.gz VYLWCLNFLRANGD-CHWSQXEVSA-N 1 0 383.480 2.325 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)c(F)cc1F ZINC000372889880 532417213 /nfs/dbraw/zinc/41/72/13/532417213.db2.gz GVNGBWNDRRTKFG-UWVGGRQHSA-N 1 0 375.213 2.320 20 0 GEADRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(I)cc1 ZINC000591660397 532417317 /nfs/dbraw/zinc/41/73/17/532417317.db2.gz KVEWOYAJHSCVED-QWHCGFSZSA-N 1 0 386.233 2.479 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000517410818 532417319 /nfs/dbraw/zinc/41/73/19/532417319.db2.gz OBWAPJHEIYWGKK-XYPHTWIQSA-N 1 0 395.345 2.240 20 0 GEADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1cnc2c(Cl)cnn2c1 ZINC000295195822 532417407 /nfs/dbraw/zinc/41/74/07/532417407.db2.gz XXWCIFJZAGZDIQ-CYBMUJFWSA-N 1 0 378.885 2.377 20 0 GEADRO C[C@H]1CCCN(C(=O)COc2cccc(I)c2)[C@H]1C[NH3+] ZINC000591676270 532417796 /nfs/dbraw/zinc/41/77/96/532417796.db2.gz IRFLUGMAROHCMU-FZMZJTMJSA-N 1 0 388.249 2.256 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1Br ZINC000193016443 532417808 /nfs/dbraw/zinc/41/78/08/532417808.db2.gz DYIDSVDQPGMDQM-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO CS[C@H](C)C(=O)NCCN(CC[NH+]1CCCCCC1)C(=O)[C@H](C)SC ZINC000560517213 532418121 /nfs/dbraw/zinc/41/81/21/532418121.db2.gz ZBJMORDZOKVIOQ-CVEARBPZSA-N 1 0 389.631 2.310 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)C[NH+](C)C ZINC000560707811 532420890 /nfs/dbraw/zinc/42/08/90/532420890.db2.gz YEGYSKHTGIISTA-CZUORRHYSA-N 1 0 396.329 2.368 20 0 GEADRO COC[C@@]1(CNC(=O)c2ccc(C)c(I)c2)CCC[NH2+]1 ZINC000591683409 532419710 /nfs/dbraw/zinc/41/97/10/532419710.db2.gz MTYKIMRYNUKSTH-HNNXBMFYSA-N 1 0 388.249 2.098 20 0 GEADRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000680637309 532419755 /nfs/dbraw/zinc/41/97/55/532419755.db2.gz GBYDLGNMMNYYCE-CHWSQXEVSA-N 1 0 388.295 2.269 20 0 GEADRO O=C(C[C@H]1CC[NH2+]C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000427294051 532419859 /nfs/dbraw/zinc/41/98/59/532419859.db2.gz GJDNHPBQDZWZCB-LLVKDONJSA-N 1 0 376.810 2.402 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000560559412 532420069 /nfs/dbraw/zinc/42/00/69/532420069.db2.gz ZDBIBBYDMVXRTN-JSGCOSHPSA-N 1 0 391.331 2.193 20 0 GEADRO Cc1cc(N2CCC[C@H](N3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)ccc1Br ZINC000680961466 532420273 /nfs/dbraw/zinc/42/02/73/532420273.db2.gz IHKSOAWAITZISU-VBQJREDUSA-N 1 0 378.314 2.404 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(I)c1 ZINC000372947958 532420497 /nfs/dbraw/zinc/42/04/97/532420497.db2.gz AZTQQDLTTWPLDZ-QMTHXVAHSA-N 1 0 386.233 2.124 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281150103 532420659 /nfs/dbraw/zinc/42/06/59/532420659.db2.gz OXUUEPFZCBOZNS-COPLHBTASA-N 1 0 391.331 2.298 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CCCC23CC[NH+](C)CC3)c(=O)n1C ZINC000372978970 532422277 /nfs/dbraw/zinc/42/22/77/532422277.db2.gz KDLGMZJEUPUUFS-UHFFFAOYSA-N 1 0 382.302 2.157 20 0 GEADRO CC1(CNS(=O)(=O)c2cc(Br)cc3c2OCC3)CC[NH2+]CC1 ZINC000193375791 532422489 /nfs/dbraw/zinc/42/24/89/532422489.db2.gz ALSCYVSWPPZENS-UHFFFAOYSA-N 1 0 389.315 2.052 20 0 GEADRO COC1(CO)CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625377302 532422956 /nfs/dbraw/zinc/42/29/56/532422956.db2.gz YDSUVWNQCOAXFY-OAHLLOKOSA-N 1 0 383.286 2.176 20 0 GEADRO CC1(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC[NH2+]CC1 ZINC000193353828 532423012 /nfs/dbraw/zinc/42/30/12/532423012.db2.gz JFLVTIKOYAJVGL-LBPRGKRZSA-N 1 0 380.286 2.060 20 0 GEADRO Cc1cc(NC(=O)CN(C)C[C@@H](O)c2ccccc2Br)n(C)n1 ZINC000295231328 532423236 /nfs/dbraw/zinc/42/32/36/532423236.db2.gz COEVWHJGFDKUBJ-CQSZACIVSA-N 1 0 381.274 2.095 20 0 GEADRO O=C(NCc1cc(Br)ccn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000295228865 532423249 /nfs/dbraw/zinc/42/32/49/532423249.db2.gz CDAQAKYTFQOMFY-KRWDZBQOSA-N 1 0 390.281 2.361 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000466285154 532423510 /nfs/dbraw/zinc/42/35/10/532423510.db2.gz DOHJVCSQIVEXJD-IINYFYTJSA-N 1 0 396.285 2.460 20 0 GEADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C1 ZINC000193335271 532421181 /nfs/dbraw/zinc/42/11/81/532421181.db2.gz SVJDTGRSEVDRFH-OCCSQVGLSA-N 1 0 376.906 2.126 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnc(Cl)c(Br)c1 ZINC000295217952 532421368 /nfs/dbraw/zinc/42/13/68/532421368.db2.gz QNZVOZFFPBYKFJ-SECBINFHSA-N 1 0 394.722 2.260 20 0 GEADRO CCOC(=O)c1csc(CC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)n1 ZINC000591762912 532421518 /nfs/dbraw/zinc/42/15/18/532421518.db2.gz FOHDXLQCKZFYOL-UHFFFAOYSA-N 1 0 386.470 2.065 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCCC[C@@H]1C(=[NH2+])NO ZINC000372955230 532421605 /nfs/dbraw/zinc/42/16/05/532421605.db2.gz VWRDMQKIFFERCP-GFCCVEGCSA-N 1 0 389.319 2.280 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NC3(C)CC[NH2+]CC3)CC2=O)ccc1Br ZINC000193379609 532424085 /nfs/dbraw/zinc/42/40/85/532424085.db2.gz ROAKBWRWZRPSLF-ZDUSSCGKSA-N 1 0 394.313 2.369 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193521670 532426196 /nfs/dbraw/zinc/42/61/96/532426196.db2.gz ADPJINBAKNWWNT-APHBMKBZSA-N 1 0 383.945 2.448 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000193534549 532426083 /nfs/dbraw/zinc/42/60/83/532426083.db2.gz VELLLGKCOPXOFZ-SGMGOOAPSA-N 1 0 380.286 2.059 20 0 GEADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000649832774 532426529 /nfs/dbraw/zinc/42/65/29/532426529.db2.gz LMWFASZTFAJFJN-WQVCFCJDSA-N 1 0 380.286 2.459 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000373052560 532428001 /nfs/dbraw/zinc/42/80/01/532428001.db2.gz CFOSPTLZNPWQJN-SMDDNHRTSA-N 1 0 389.315 2.220 20 0 GEADRO O[C@H](C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1)CC1(O)CCC1 ZINC000625422027 532427962 /nfs/dbraw/zinc/42/79/62/532427962.db2.gz ZUJRRBIVDLCGPK-AWEZNQCLSA-N 1 0 398.301 2.407 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000517910239 532430414 /nfs/dbraw/zinc/43/04/14/532430414.db2.gz BQKFYOOHWYVPKJ-WFASDCNBSA-N 1 0 376.931 2.132 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000281665949 532430786 /nfs/dbraw/zinc/43/07/86/532430786.db2.gz NRZAVBPSVFGZLR-UHFFFAOYSA-N 1 0 380.341 2.298 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000193703923 532431243 /nfs/dbraw/zinc/43/12/43/532431243.db2.gz NQRPBUOOKDJTBM-LBPRGKRZSA-N 1 0 386.265 2.048 20 0 GEADRO Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Br ZINC000193687839 532431298 /nfs/dbraw/zinc/43/12/98/532431298.db2.gz DQYZBTFGVJQQFB-CQSZACIVSA-N 1 0 382.302 2.217 20 0 GEADRO COCC[C@@H](CO)[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000281666573 532431539 /nfs/dbraw/zinc/43/15/39/532431539.db2.gz QOSHWXHBPABBBB-FZMZJTMJSA-N 1 0 383.290 2.386 20 0 GEADRO COC(=O)[C@H]1C[C@@H](O)CN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000591999524 532431773 /nfs/dbraw/zinc/43/17/73/532431773.db2.gz KKJSBOBXHNEXMG-WDEREUQCSA-N 1 0 395.253 2.366 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000295340582 532435304 /nfs/dbraw/zinc/43/53/04/532435304.db2.gz HYCBQGMKRFBDOH-FRRDWIJNSA-N 1 0 385.302 2.165 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Br)cc(F)c2F)C1 ZINC000626166046 532436075 /nfs/dbraw/zinc/43/60/75/532436075.db2.gz LRFCLFNPGNCVBM-JTQLQIEISA-N 1 0 397.285 2.489 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000561203332 532432574 /nfs/dbraw/zinc/43/25/74/532432574.db2.gz VRGZFYQXQKTFDJ-UKRRQHHQSA-N 1 0 381.318 2.327 20 0 GEADRO Cc1sc([C@@H](C)NC(=O)C(=O)NC2C[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000561227580 532432989 /nfs/dbraw/zinc/43/29/89/532432989.db2.gz KHTSNHLAVFWIEE-SECBINFHSA-N 1 0 378.885 2.037 20 0 GEADRO CN(C)[C@@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1Cl ZINC000193868537 532432939 /nfs/dbraw/zinc/43/29/39/532432939.db2.gz FIZDZEOYEHMHEP-INIZCTEOSA-N 1 0 381.885 2.020 20 0 GEADRO CN(C)[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1Cl ZINC000193868550 532432997 /nfs/dbraw/zinc/43/29/97/532432997.db2.gz FIZDZEOYEHMHEP-MRXNPFEDSA-N 1 0 381.885 2.020 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428029931 532440875 /nfs/dbraw/zinc/44/08/75/532440875.db2.gz GELXLWSDYVWLLW-XUJVJEKNSA-N 1 0 399.276 2.302 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3F)C[C@@H]21 ZINC000427951205 532438036 /nfs/dbraw/zinc/43/80/36/532438036.db2.gz ORKJWZVVDXSVSW-OUAUKWLOSA-N 1 0 382.379 2.472 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427948332 532438078 /nfs/dbraw/zinc/43/80/78/532438078.db2.gz VGFPBJHHOBVETC-YPMHNXCESA-N 1 0 389.315 2.139 20 0 GEADRO COCCN1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000518287061 532438537 /nfs/dbraw/zinc/43/85/37/532438537.db2.gz XXHXTMFTQQFTET-AWEZNQCLSA-N 1 0 385.302 2.421 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000427959394 532438977 /nfs/dbraw/zinc/43/89/77/532438977.db2.gz QNSGKRLSISQMHA-QGZVFWFLSA-N 1 0 386.901 2.281 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc(I)cc3)C[C@H]21 ZINC000518361185 532439566 /nfs/dbraw/zinc/43/95/66/532439566.db2.gz MKDVIAJVFZWEHM-NWANDNLSSA-N 1 0 384.261 2.420 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000518352464 532439884 /nfs/dbraw/zinc/43/98/84/532439884.db2.gz GEGVKENBHUPRIB-OAHLLOKOSA-N 1 0 382.302 2.170 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)Cc1nccn1C ZINC000295383206 532439960 /nfs/dbraw/zinc/43/99/60/532439960.db2.gz KQSVTEBBTCLTCD-LBPRGKRZSA-N 1 0 395.301 2.328 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000518345707 532440159 /nfs/dbraw/zinc/44/01/59/532440159.db2.gz CHPDETQGTQLUDM-CBHXASLJSA-N 1 0 396.329 2.469 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000518365231 532440223 /nfs/dbraw/zinc/44/02/23/532440223.db2.gz DOTIZBBUDRTAFN-YESZJQIVSA-N 1 0 375.918 2.163 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1c(F)ccc(Br)c1F ZINC000281864576 532440341 /nfs/dbraw/zinc/44/03/41/532440341.db2.gz CEAUOJOVICZLTN-ZDUSSCGKSA-N 1 0 376.245 2.157 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F)C1CC1 ZINC000467239881 532442360 /nfs/dbraw/zinc/44/23/60/532442360.db2.gz CDUUKFWYZXJOJU-CYBMUJFWSA-N 1 0 390.228 2.122 20 0 GEADRO O=C(NCCc1nc2cc(Cl)ccc2s1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000373353272 532443089 /nfs/dbraw/zinc/44/30/89/532443089.db2.gz IWUCTTLYUZIKHC-YOGCLGLASA-N 1 0 377.897 2.423 20 0 GEADRO COCC[NH+]1CCC(N[C@H](C(=O)OC)c2ccc(Br)cc2)CC1 ZINC000428082972 532443237 /nfs/dbraw/zinc/44/32/37/532443237.db2.gz HPWXTPNVNVJUSN-INIZCTEOSA-N 1 0 385.302 2.364 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000626847434 532443700 /nfs/dbraw/zinc/44/37/00/532443700.db2.gz QYVUQYSEHNQJRM-GFCCVEGCSA-N 1 0 390.228 2.122 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NCC3CC[NH2+]CC3)CC2=O)ccc1Br ZINC000428135501 532444516 /nfs/dbraw/zinc/44/45/16/532444516.db2.gz QLQFQHZDBAXJAY-CQSZACIVSA-N 1 0 394.313 2.226 20 0 GEADRO CC[NH+](CC)[C@H](C)CNc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000428103546 532444545 /nfs/dbraw/zinc/44/45/45/532444545.db2.gz OGPYLGRJNTYRGL-SECBINFHSA-N 1 0 382.299 2.378 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000626937008 532445084 /nfs/dbraw/zinc/44/50/84/532445084.db2.gz CKBSMLZJSBWDOA-ZDCRXTMVSA-N 1 0 377.329 2.184 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)CC(C)(C)[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000592283200 532445172 /nfs/dbraw/zinc/44/51/72/532445172.db2.gz HTLNWAMXXVYVDC-UONOGXRCSA-N 1 0 383.286 2.292 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626921013 532445375 /nfs/dbraw/zinc/44/53/75/532445375.db2.gz GQAFFQCUAHYHKD-AWEZNQCLSA-N 1 0 395.301 2.280 20 0 GEADRO C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H](O)c1ccccc1Br ZINC000295387731 532441586 /nfs/dbraw/zinc/44/15/86/532441586.db2.gz RFJNSQHDEYDBNE-ZWNOBZJWSA-N 1 0 386.208 2.354 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1Br)C1CC[NH+](C)CC1 ZINC000682191784 532441625 /nfs/dbraw/zinc/44/16/25/532441625.db2.gz GFZODHOJJLNFKN-SNVBAGLBSA-N 1 0 386.265 2.373 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000626835950 532441836 /nfs/dbraw/zinc/44/18/36/532441836.db2.gz MYFXGWIVGGLPKD-KOLCDFICSA-N 1 0 386.315 2.366 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000626838983 532441929 /nfs/dbraw/zinc/44/19/29/532441929.db2.gz WXQUQBFNBNMRBL-NXEZZACHSA-N 1 0 386.315 2.353 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626835256 532441947 /nfs/dbraw/zinc/44/19/47/532441947.db2.gz GXHJYXWHUDGCER-JMCQJSRRSA-N 1 0 392.656 2.294 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000626835373 532441998 /nfs/dbraw/zinc/44/19/98/532441998.db2.gz MVMLGJSYPBBGCC-JOYOIKCWSA-N 1 0 386.315 2.224 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000682196667 532442049 /nfs/dbraw/zinc/44/20/49/532442049.db2.gz QHAQCKASKIWCTN-LLVKDONJSA-N 1 0 398.301 2.243 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000682196623 532442117 /nfs/dbraw/zinc/44/21/17/532442117.db2.gz PFZHAUKMSLKBNK-GFCCVEGCSA-N 1 0 394.313 2.185 20 0 GEADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627272750 532449129 /nfs/dbraw/zinc/44/91/29/532449129.db2.gz UAYYSYOYQDKGMJ-RMHMGBASSA-N 1 0 391.309 2.002 20 0 GEADRO C[C@H]1C[C@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)CC[N@@H+]1C ZINC000428168583 532446537 /nfs/dbraw/zinc/44/65/37/532446537.db2.gz BXBAQFJDHPJIJD-DTWKUNHWSA-N 1 0 380.283 2.130 20 0 GEADRO O=C(CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1)N1CCOCC1 ZINC000194313283 532446791 /nfs/dbraw/zinc/44/67/91/532446791.db2.gz YENQZEHINUSYDT-UHFFFAOYSA-N 1 0 397.313 2.293 20 0 GEADRO C[NH2+]CCOCCNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000626962705 532447416 /nfs/dbraw/zinc/44/74/16/532447416.db2.gz VGMXAHBAYQKGSQ-UHFFFAOYSA-N 1 0 396.232 2.086 20 0 GEADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)N[C@@H]1CC[NH2+]C1 ZINC000626963758 532447638 /nfs/dbraw/zinc/44/76/38/532447638.db2.gz AWZWPEBCAFLBDD-OAHLLOKOSA-N 1 0 382.302 2.158 20 0 GEADRO C[C@H]1CN(C(=O)c2cncc(I)c2)CC[N@@H+](C2CC2)C1 ZINC000295466597 532449018 /nfs/dbraw/zinc/44/90/18/532449018.db2.gz XZWRMJDTXKKNDO-LLVKDONJSA-N 1 0 385.249 2.243 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@H]1c1ccc(Br)cc1 ZINC000592283275 532445892 /nfs/dbraw/zinc/44/58/92/532445892.db2.gz QXZSDLWRSXDPPX-VBNZEHGJSA-N 1 0 395.297 2.164 20 0 GEADRO CCC[NH+]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000519019553 532452115 /nfs/dbraw/zinc/45/21/15/532452115.db2.gz YXLJDCCNSPLKAK-MRXNPFEDSA-N 1 0 394.313 2.356 20 0 GEADRO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000428304466 532449316 /nfs/dbraw/zinc/44/93/16/532449316.db2.gz VUFWZDBUYWZCRR-UHFFFAOYSA-N 1 0 381.523 2.202 20 0 GEADRO O=C(c1nc2ccccc2cc1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627267085 532449536 /nfs/dbraw/zinc/44/95/36/532449536.db2.gz JOKLCXIQFWMDGT-ZIAGYGMSSA-N 1 0 390.281 2.278 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)NC[C@H]1CCCC[N@H+]1CCO ZINC000650596529 532449660 /nfs/dbraw/zinc/44/96/60/532449660.db2.gz JGHIXUWEVNJMFN-OAHLLOKOSA-N 1 0 387.293 2.484 20 0 GEADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627270744 532449673 /nfs/dbraw/zinc/44/96/73/532449673.db2.gz MBQGKIWKJVUNFQ-GJZGRUSLSA-N 1 0 397.313 2.274 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000518963465 532450663 /nfs/dbraw/zinc/45/06/63/532450663.db2.gz YSLKVPHFGWKPJP-RHSMWYFYSA-N 1 0 398.345 2.215 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1[nH]nc2ccc(I)cc21 ZINC000592337391 532450709 /nfs/dbraw/zinc/45/07/09/532450709.db2.gz GPRODVHGSDUONH-GFCCVEGCSA-N 1 0 396.232 2.039 20 0 GEADRO CCOC(=O)C[C@H]1C[C@@H](OC)CN1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000373565678 532457054 /nfs/dbraw/zinc/45/70/54/532457054.db2.gz DRFXMYQFUDVZCV-CHWSQXEVSA-N 1 0 388.917 2.402 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1I ZINC000592380406 532453184 /nfs/dbraw/zinc/45/31/84/532453184.db2.gz VERVDOZWYOHCED-UHFFFAOYSA-N 1 0 394.278 2.102 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Br)c1 ZINC000467686705 532453272 /nfs/dbraw/zinc/45/32/72/532453272.db2.gz TXSAHLFPRIGYNB-NEPJUHHUSA-N 1 0 396.285 2.091 20 0 GEADRO Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)C3CCS(=O)(=O)CC3)[C@@H](C)C2)s1 ZINC000373511646 532453756 /nfs/dbraw/zinc/45/37/56/532453756.db2.gz AKKLXRGVIZKXBN-IYOUNJFTSA-N 1 0 385.599 2.465 20 0 GEADRO CC[C@@]1([NH2+]CC(=O)N(C)CCOc2ccc(Br)cc2)CCOC1 ZINC000683041769 532453926 /nfs/dbraw/zinc/45/39/26/532453926.db2.gz DMPQTAOWNPNTPU-QGZVFWFLSA-N 1 0 385.302 2.445 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)c1cc(F)c(F)cc1I ZINC000592566869 532454323 /nfs/dbraw/zinc/45/43/23/532454323.db2.gz BMZOSAVUJULCHZ-UHFFFAOYSA-N 1 0 380.176 2.441 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000519041773 532454532 /nfs/dbraw/zinc/45/45/32/532454532.db2.gz CLCQMZQGNXPETE-UHFFFAOYSA-N 1 0 393.285 2.335 20 0 GEADRO CN(C)C(=O)N1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000428534100 532455180 /nfs/dbraw/zinc/45/51/80/532455180.db2.gz DYRSPWPUCBEQIV-OAHLLOKOSA-N 1 0 398.345 2.336 20 0 GEADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295506623 532455193 /nfs/dbraw/zinc/45/51/93/532455193.db2.gz PPDKCKKKHZZKRA-CYBMUJFWSA-N 1 0 385.295 2.147 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1Br ZINC000373528050 532455347 /nfs/dbraw/zinc/45/53/47/532455347.db2.gz RJINHLBDDAYZDA-WHOFXGATSA-N 1 0 380.286 2.414 20 0 GEADRO O=C(C[C@@H]1CCC[NH2+]CC1)NCCNC(=O)c1ccc(Br)cc1 ZINC000373518413 532455472 /nfs/dbraw/zinc/45/54/72/532455472.db2.gz XHGILTOJXNZQFY-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO C[C@@H](NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccc(Br)cn1 ZINC000373540530 532455607 /nfs/dbraw/zinc/45/56/07/532455607.db2.gz YMXXLWJTESOPLZ-CYBMUJFWSA-N 1 0 399.333 2.393 20 0 GEADRO CC[N@H+](CCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C(C)C ZINC000428648494 532455749 /nfs/dbraw/zinc/45/57/49/532455749.db2.gz LPOPULZLGNMOMN-UHFFFAOYSA-N 1 0 375.922 2.273 20 0 GEADRO O=C(NC[C@@H](CO)[C@H]1CCOC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000373522968 532455788 /nfs/dbraw/zinc/45/57/88/532455788.db2.gz SVISOXAOMPLZQR-GJZGRUSLSA-N 1 0 386.945 2.375 20 0 GEADRO CN(CC(=O)Nc1ccccc1I)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562042593 532456462 /nfs/dbraw/zinc/45/64/62/532456462.db2.gz FVMYYIGVCFCOMX-CYBMUJFWSA-N 1 0 399.276 2.398 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000282393127 532462091 /nfs/dbraw/zinc/46/20/91/532462091.db2.gz DRLAGHSNKSLOLD-RISCZKNCSA-N 1 0 383.242 2.166 20 0 GEADRO CC[NH+](CC)CCNC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000428668318 532457898 /nfs/dbraw/zinc/45/78/98/532457898.db2.gz RHDZGDAXGSJFLU-CQSZACIVSA-N 1 0 386.334 2.241 20 0 GEADRO CC[NH+](CC)CCNC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000428668039 532457990 /nfs/dbraw/zinc/45/79/90/532457990.db2.gz PWFSJWRZNDPGJF-OAHLLOKOSA-N 1 0 386.334 2.241 20 0 GEADRO CCSc1nnc(NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)s1 ZINC000467993887 532458522 /nfs/dbraw/zinc/45/85/22/532458522.db2.gz JRMYCVPYPVQIJN-UHFFFAOYSA-N 1 0 377.539 3.044 20 0 GEADRO [NH3+]CCc1nc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cs1 ZINC000194813581 532458933 /nfs/dbraw/zinc/45/89/33/532458933.db2.gz DPWDWFKEVCPMAJ-LBPRGKRZSA-N 1 0 378.885 2.223 20 0 GEADRO Cn1cc([C@@H]2C[N@H+](Cc3cn4cc(Br)ccc4n3)C[C@H]2CO)cn1 ZINC000683528146 532459700 /nfs/dbraw/zinc/45/97/00/532459700.db2.gz VMVQYGYAIYFUAA-BBRMVZONSA-N 1 0 390.285 2.038 20 0 GEADRO C[S@@](=O)C1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000282372140 532461436 /nfs/dbraw/zinc/46/14/36/532461436.db2.gz NZBMPLZHYDDXFI-JOCHJYFZSA-N 1 0 387.343 2.286 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NC[C@H](C)[NH3+])C1 ZINC000194879137 532461523 /nfs/dbraw/zinc/46/15/23/532461523.db2.gz OVUJBMJHGBJNKE-QWHCGFSZSA-N 1 0 382.302 2.073 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592782296 532464816 /nfs/dbraw/zinc/46/48/16/532464816.db2.gz GAWAIJPEXLBYLW-KCPJHIHWSA-N 1 0 383.286 2.462 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@H]1C ZINC000428941009 532465423 /nfs/dbraw/zinc/46/54/23/532465423.db2.gz SWYYDMYSGMNFOA-OLZOCXBDSA-N 1 0 387.933 2.368 20 0 GEADRO CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(Br)c1 ZINC000468481728 532465377 /nfs/dbraw/zinc/46/53/77/532465377.db2.gz UHPXRIJWGBLZNL-ZDUSSCGKSA-N 1 0 382.302 2.212 20 0 GEADRO CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(Br)c1 ZINC000468481727 532465554 /nfs/dbraw/zinc/46/55/54/532465554.db2.gz UHPXRIJWGBLZNL-CYBMUJFWSA-N 1 0 382.302 2.212 20 0 GEADRO COC(=O)CN1CCC([NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000468470730 532465755 /nfs/dbraw/zinc/46/57/55/532465755.db2.gz RBYBIYDAHAWEFI-UHFFFAOYSA-N 1 0 383.286 2.111 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000468486760 532467247 /nfs/dbraw/zinc/46/72/47/532467247.db2.gz FNBGREWOQYUKTQ-LBPRGKRZSA-N 1 0 386.290 2.009 20 0 GEADRO C[C@@H](NC(=O)c1[nH]nc2ccc(I)cc21)[C@@H]1CCC[NH2+]C1 ZINC000428959465 532466661 /nfs/dbraw/zinc/46/66/61/532466661.db2.gz YACSCMNUERLJJZ-NXEZZACHSA-N 1 0 398.248 2.285 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)ccc1S(=O)(=O)C(F)F ZINC000282443455 532468091 /nfs/dbraw/zinc/46/80/91/532468091.db2.gz URDSLZGAGXDQRK-WYVULQQZSA-N 1 0 381.466 2.253 20 0 GEADRO C[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000519529570 532468298 /nfs/dbraw/zinc/46/82/98/532468298.db2.gz GAVJIHBDYSLCSX-WCQYABFASA-N 1 0 398.301 2.408 20 0 GEADRO COC(=O)CCCCCS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000373763761 532468440 /nfs/dbraw/zinc/46/84/40/532468440.db2.gz VOOSZHZJQITHGQ-PBHICJAKSA-N 1 0 388.555 2.394 20 0 GEADRO C[NH+](C)CCN1CCN(c2ccnc3cc(F)c(Br)cc32)CC1=O ZINC000651382734 532469213 /nfs/dbraw/zinc/46/92/13/532469213.db2.gz TWWBVJJUUIDSEI-UHFFFAOYSA-N 1 0 395.276 2.347 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000628453838 532469619 /nfs/dbraw/zinc/46/96/19/532469619.db2.gz YWEJEPAJULSWPC-JTNHKYCSSA-N 1 0 389.315 2.331 20 0 GEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nscc1Br ZINC000651416379 532470507 /nfs/dbraw/zinc/47/05/07/532470507.db2.gz FHLNCLNWHBHAOQ-MRXNPFEDSA-N 1 0 396.310 2.272 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000468694467 532471031 /nfs/dbraw/zinc/47/10/31/532471031.db2.gz PEWMKZVIADQQHX-CQSZACIVSA-N 1 0 387.571 2.319 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000429186146 532471185 /nfs/dbraw/zinc/47/11/85/532471185.db2.gz UJUKXBHQPYBUPG-LLVKDONJSA-N 1 0 380.539 2.218 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1Br ZINC000373815999 532471803 /nfs/dbraw/zinc/47/18/03/532471803.db2.gz SOIBVHZCPFHBHU-LBPRGKRZSA-N 1 0 396.260 2.308 20 0 GEADRO [NH3+]CCn1cc(C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)nn1 ZINC000519641511 532472089 /nfs/dbraw/zinc/47/20/89/532472089.db2.gz DGCWBELNHCLYMV-OAHLLOKOSA-N 1 0 392.301 2.237 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)n1 ZINC000519645750 532472199 /nfs/dbraw/zinc/47/21/99/532472199.db2.gz JZTQSLRWDCKAJZ-AWEZNQCLSA-N 1 0 397.248 2.210 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000519648471 532472675 /nfs/dbraw/zinc/47/26/75/532472675.db2.gz ULWWCEYAQJFZTN-IAGOWNOFSA-N 1 0 396.329 2.081 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000429340549 532473032 /nfs/dbraw/zinc/47/30/32/532473032.db2.gz VIEDKSLJPHUPAA-MRVPVSSYSA-N 1 0 394.191 2.227 20 0 GEADRO CC[N@H+](CC(=O)N1CCC(O)(c2scnc2Br)CC1)C1CC1 ZINC000373742895 532467349 /nfs/dbraw/zinc/46/73/49/532467349.db2.gz FZFISVMQVYVUNX-UHFFFAOYSA-N 1 0 388.331 2.200 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000429457126 532476627 /nfs/dbraw/zinc/47/66/27/532476627.db2.gz UKCZNQIAAZLNKO-JTQLQIEISA-N 1 0 382.299 2.071 20 0 GEADRO CC(C)OC(=O)CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000519760442 532476690 /nfs/dbraw/zinc/47/66/90/532476690.db2.gz BAWPCMFSKMTTAX-CYBMUJFWSA-N 1 0 378.238 2.259 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373887464 532476894 /nfs/dbraw/zinc/47/68/94/532476894.db2.gz ZDODUGBAONCASQ-RNCFNFMXSA-N 1 0 379.707 2.475 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CC1 ZINC000520642887 532496685 /nfs/dbraw/zinc/49/66/85/532496685.db2.gz IIJRISIISBDJBG-CVEARBPZSA-N 1 0 381.929 2.312 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651578050 532478231 /nfs/dbraw/zinc/47/82/31/532478231.db2.gz BNAFABZUOMGFJS-ZDUSSCGKSA-N 1 0 377.913 2.031 20 0 GEADRO C[C@H]([NH3+])c1ccc(CNC(=O)CN(C)C(=O)c2ccc(Br)o2)cc1 ZINC000429502777 532478307 /nfs/dbraw/zinc/47/83/07/532478307.db2.gz KCFPFUGAEGLSOT-NSHDSACASA-N 1 0 394.269 2.450 20 0 GEADRO CC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H](O)C(F)F ZINC000519773972 532478936 /nfs/dbraw/zinc/47/89/36/532478936.db2.gz LPVWVUJOFDPBHG-WCFLWFBJSA-N 1 0 386.208 2.322 20 0 GEADRO COC1CC[NH+](C2(CNS(=O)(=O)CC3CC(F)(F)C3)CCCC2)CC1 ZINC000562713820 532478999 /nfs/dbraw/zinc/47/89/99/532478999.db2.gz UWRBSDHCQREUST-UHFFFAOYSA-N 1 0 380.501 2.375 20 0 GEADRO CC[C@H]([NH2+][C@H](C)[C@H]1CN(C)CCO1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684611466 532479825 /nfs/dbraw/zinc/47/98/25/532479825.db2.gz DGSVHJVTFQPZAV-UHOFOFEASA-N 1 0 389.949 2.008 20 0 GEADRO CC[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612126 532479953 /nfs/dbraw/zinc/47/99/53/532479953.db2.gz QECDYRLSAFBRKB-XJKSGUPXSA-N 1 0 390.933 2.342 20 0 GEADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684611464 532480288 /nfs/dbraw/zinc/48/02/88/532480288.db2.gz DGSVHJVTFQPZAV-KCXAZCMYSA-N 1 0 389.949 2.008 20 0 GEADRO CC[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684611467 532480323 /nfs/dbraw/zinc/48/03/23/532480323.db2.gz DGSVHJVTFQPZAV-VBNZEHGJSA-N 1 0 389.949 2.008 20 0 GEADRO NC(=O)CSc1ccccc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000519833473 532480583 /nfs/dbraw/zinc/48/05/83/532480583.db2.gz PLZDYNORUCZEDB-AWEZNQCLSA-N 1 0 379.551 2.420 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000629173925 532482190 /nfs/dbraw/zinc/48/21/90/532482190.db2.gz PYPLSAGQKCLLTQ-GFCCVEGCSA-N 1 0 381.192 2.264 20 0 GEADRO O=C(CCc1cc(Cl)ccc1Br)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629172990 532482792 /nfs/dbraw/zinc/48/27/92/532482792.db2.gz KZDLAEYYUISXLR-CYBMUJFWSA-N 1 0 375.694 2.218 20 0 GEADRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)nn1-c1ccc(Cl)cc1Cl ZINC000629171696 532482870 /nfs/dbraw/zinc/48/28/70/532482870.db2.gz BBRJAXXEINFPTO-CYBMUJFWSA-N 1 0 383.279 2.284 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc(Br)c1OC ZINC000562795816 532483831 /nfs/dbraw/zinc/48/38/31/532483831.db2.gz ADVXEACOIIDPMA-STQMWFEESA-N 1 0 398.301 2.217 20 0 GEADRO C[C@H](CNC(=O)Cn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000520002690 532483957 /nfs/dbraw/zinc/48/39/57/532483957.db2.gz PPWLMLCIYUBZSW-CYBMUJFWSA-N 1 0 377.286 2.209 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000519994910 532484028 /nfs/dbraw/zinc/48/40/28/532484028.db2.gz CVNVFZSGILXVAY-GFCCVEGCSA-N 1 0 398.301 2.021 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000519994911 532484276 /nfs/dbraw/zinc/48/42/76/532484276.db2.gz CVNVFZSGILXVAY-LBPRGKRZSA-N 1 0 398.301 2.021 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000374025817 532484870 /nfs/dbraw/zinc/48/48/70/532484870.db2.gz ZGJXINRHHNYSSO-BXKDBHETSA-N 1 0 399.314 2.028 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000562837590 532485020 /nfs/dbraw/zinc/48/50/20/532485020.db2.gz PCPQJRUGMRYRAJ-ZFWWWQNUSA-N 1 0 391.317 2.389 20 0 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O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@]12CCC(=O)N1CCS2 ZINC000522047258 532522259 /nfs/dbraw/zinc/52/22/59/532522259.db2.gz HISLCZOTMIKRGA-SFHVURJKSA-N 1 0 377.535 2.239 20 0 GEADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccs1 ZINC000374879058 532522299 /nfs/dbraw/zinc/52/22/99/532522299.db2.gz IXNGJSMIENEGMR-SJCJKPOMSA-N 1 0 380.491 2.448 20 0 GEADRO C[N@H+](C[C@H](O)CNCc1cc(Cl)ccc1I)C1CC1 ZINC000594718837 532522600 /nfs/dbraw/zinc/52/26/00/532522600.db2.gz WBICZFMMLRSNBM-CYBMUJFWSA-N 1 0 394.684 2.489 20 0 GEADRO CCC[NH+]1CCC(N2CCN(S(=O)(=O)CCCC(F)(F)F)CC2)CC1 ZINC000374906705 532523260 /nfs/dbraw/zinc/52/32/60/532523260.db2.gz CMXIYQYOZGBENO-UHFFFAOYSA-N 1 0 385.496 2.151 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000283174018 532523464 /nfs/dbraw/zinc/52/34/64/532523464.db2.gz PRLVOEMUDDQVHZ-CQSZACIVSA-N 1 0 397.313 2.390 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](Cn2cc(-c3ccc(Br)cn3)nn2)C1 ZINC000630588631 532524390 /nfs/dbraw/zinc/52/43/90/532524390.db2.gz HTQWJJCCJBTZGS-AWEZNQCLSA-N 1 0 380.290 2.459 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c1 ZINC000470257008 532524614 /nfs/dbraw/zinc/52/46/14/532524614.db2.gz XKLSESURXAGYNG-UHFFFAOYSA-N 1 0 390.347 2.230 20 0 GEADRO CO[C@H](CS(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000594766713 532524643 /nfs/dbraw/zinc/52/46/43/532524643.db2.gz JJZWPSNCHQKVCP-BRWVUGGUSA-N 1 0 376.588 2.033 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC[C@@H]1CSCCS1 ZINC000245880599 532524661 /nfs/dbraw/zinc/52/46/61/532524661.db2.gz KAKASHDFSCKTDF-DJIMGWMZSA-N 1 0 380.583 2.440 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245887420 532524783 /nfs/dbraw/zinc/52/47/83/532524783.db2.gz IZJDWMKQUUYZNQ-YOEHRIQHSA-N 1 0 397.313 2.317 20 0 GEADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000470253955 532524903 /nfs/dbraw/zinc/52/49/03/532524903.db2.gz GDWKFUJCSFLBBH-UHFFFAOYSA-N 1 0 389.315 2.099 20 0 GEADRO 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C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(Br)ccc3F)C[C@H]21 ZINC000375051108 532530422 /nfs/dbraw/zinc/53/04/22/532530422.db2.gz UKEKGDWSNWLCJT-IINYFYTJSA-N 1 0 384.249 2.079 20 0 GEADRO C[C@H](C[NH3+])NC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC000470479631 532530657 /nfs/dbraw/zinc/53/06/57/532530657.db2.gz IEEZKTYQPMHQIT-SSDOTTSWSA-N 1 0 392.179 2.126 20 0 GEADRO CC(C)Oc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000653139533 532531683 /nfs/dbraw/zinc/53/16/83/532531683.db2.gz KEYIKAKKGQADTE-OAHLLOKOSA-N 1 0 396.329 2.356 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1C(=O)OC ZINC000375104958 532532666 /nfs/dbraw/zinc/53/26/66/532532666.db2.gz JRESVXGBFQTDDI-QWHCGFSZSA-N 1 0 386.901 2.374 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000630874999 532533433 /nfs/dbraw/zinc/53/34/33/532533433.db2.gz GWHHIMOHDUWCOP-LSDHHAIUSA-N 1 0 382.302 2.025 20 0 GEADRO O=C(NCCc1cccs1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000283326830 532533696 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O[C@@H](CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(F)F ZINC000631216856 532549829 /nfs/dbraw/zinc/54/98/29/532549829.db2.gz RXXDWSDBJABYRM-AWEZNQCLSA-N 1 0 379.245 2.391 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000471365223 532549877 /nfs/dbraw/zinc/54/98/77/532549877.db2.gz GILZGIHOIBTSDL-SNVBAGLBSA-N 1 0 386.279 2.436 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN[C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000565173732 532549990 /nfs/dbraw/zinc/54/99/90/532549990.db2.gz VAKWPJNBWWYWSV-WBVHZDCISA-N 1 0 387.318 2.130 20 0 GEADRO [NH3+]C1(CNC(=O)NCCc2ccc(I)s2)CCCC1 ZINC000595266173 532550266 /nfs/dbraw/zinc/55/02/66/532550266.db2.gz QOWFYJDNPVSBED-UHFFFAOYSA-N 1 0 393.294 2.466 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCc2ccc(I)cc2)C1 ZINC000595264903 532550401 /nfs/dbraw/zinc/55/04/01/532550401.db2.gz GYDMZGPJNSUVEN-KGLIPLIRSA-N 1 0 387.265 2.403 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(I)cc2)CC[NH2+]1 ZINC000595265308 532550475 /nfs/dbraw/zinc/55/04/75/532550475.db2.gz OBENYCBMYKEKAB-RISCZKNCSA-N 1 0 387.265 2.273 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527649617 532550714 /nfs/dbraw/zinc/55/07/14/532550714.db2.gz SCGINKXTUZEEMN-SNVBAGLBSA-N 1 0 383.258 2.241 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000283709174 532551033 /nfs/dbraw/zinc/55/10/33/532551033.db2.gz YKBMDQCQNOHSLC-XFBWCDHKSA-N 1 0 382.302 2.264 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000248200416 532551138 /nfs/dbraw/zinc/55/11/38/532551138.db2.gz YMPXHRJCCLYXOX-HIFRSBDPSA-N 1 0 385.302 2.179 20 0 GEADRO CN(C(=O)c1c(F)cncc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000631246794 532551234 /nfs/dbraw/zinc/55/12/34/532551234.db2.gz KDAPSJXFYBSYTN-CYBMUJFWSA-N 1 0 399.308 2.224 20 0 GEADRO O=C(NCCc1ccc(I)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000595273970 532551781 /nfs/dbraw/zinc/55/17/81/532551781.db2.gz SRLBEJSTKRAGSS-GASCZTMLSA-N 1 0 399.276 2.370 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000565208878 532552031 /nfs/dbraw/zinc/55/20/31/532552031.db2.gz PUWLPIVVVSWPSA-TZMCWYRMSA-N 1 0 387.293 2.197 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NCC[NH+](CC)CC)c1nc(C(F)(F)F)cs1 ZINC000283716518 532552254 /nfs/dbraw/zinc/55/22/54/532552254.db2.gz KEZIUQHRVCYDJE-SNVBAGLBSA-N 1 0 380.436 2.187 20 0 GEADRO C[C@H](CNC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000631289120 532552330 /nfs/dbraw/zinc/55/23/30/532552330.db2.gz OLYPOHSSGXAGGZ-LSBZLQRGSA-N 1 0 394.357 2.479 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000296912817 532553488 /nfs/dbraw/zinc/55/34/88/532553488.db2.gz LDWPFXRWEQZWEE-LBPRGKRZSA-N 1 0 387.293 2.340 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)cc1Cl ZINC000248694231 532554660 /nfs/dbraw/zinc/55/46/60/532554660.db2.gz YKBTYWRUIZWMIY-FWDPORAESA-N 1 0 393.292 2.138 20 0 GEADRO Cn1cc(Br)c(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)n1 ZINC000433097752 532554677 /nfs/dbraw/zinc/55/46/77/532554677.db2.gz PCKODOVRMPCONX-UHFFFAOYSA-N 1 0 394.273 2.325 20 0 GEADRO C[NH+](C)CCOCCNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000471659939 532554903 /nfs/dbraw/zinc/55/49/03/532554903.db2.gz STUNNJJYFZAWLC-UHFFFAOYSA-N 1 0 383.290 2.308 20 0 GEADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NCCOCC[NH+](C)C ZINC000471648185 532554998 /nfs/dbraw/zinc/55/49/98/532554998.db2.gz SVAAQORMCRWFLD-CYBMUJFWSA-N 1 0 384.318 2.484 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000631688912 532555417 /nfs/dbraw/zinc/55/54/17/532555417.db2.gz AQQYSOBNIRFCAZ-TZMCWYRMSA-N 1 0 376.404 2.142 20 0 GEADRO CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000471663190 532555693 /nfs/dbraw/zinc/55/56/93/532555693.db2.gz PFICCGSFYPKCRT-GDBMZVCRSA-N 1 0 384.929 2.368 20 0 GEADRO COc1ccc([C@@H](C)NS(=O)(=O)CCC[NH+](C)C)cc1Br ZINC000631685141 532555819 /nfs/dbraw/zinc/55/58/19/532555819.db2.gz WXFVHAFGGWHKAC-LLVKDONJSA-N 1 0 379.320 2.390 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248679509 532555851 /nfs/dbraw/zinc/55/58/51/532555851.db2.gz CDQRCANCKSMERK-TZMCWYRMSA-N 1 0 376.906 2.078 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000595333112 532556352 /nfs/dbraw/zinc/55/63/52/532556352.db2.gz BONLVRPCFBUYQB-YOEHRIQHSA-N 1 0 397.313 2.317 20 0 GEADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CC1 ZINC000631743919 532556967 /nfs/dbraw/zinc/55/69/67/532556967.db2.gz GUDSACIAWUWCFP-INTODGSJSA-N 1 0 384.464 2.205 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2Br)C1 ZINC000283970714 532569901 /nfs/dbraw/zinc/56/99/01/532569901.db2.gz ZHVGKVWEFPYTQZ-UONOGXRCSA-N 1 0 382.302 2.054 20 0 GEADRO Cc1c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cnn1-c1ccc(Cl)cc1 ZINC000528051823 532558327 /nfs/dbraw/zinc/55/83/27/532558327.db2.gz NPNYJZGFVCYCAA-INIZCTEOSA-N 1 0 380.901 2.397 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CN(c2ccncn2)C1 ZINC000631745657 532558640 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COC(=O)[C@H](c1cccc(Br)c1)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000375482189 532560661 /nfs/dbraw/zinc/56/06/61/532560661.db2.gz IETLLHUBCPJJLK-CJNGLKHVSA-N 1 0 385.302 2.052 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)cc1Cl ZINC000631960329 532570058 /nfs/dbraw/zinc/57/00/58/532570058.db2.gz NFFCLBRECMBWEM-LLVKDONJSA-N 1 0 377.869 2.330 20 0 GEADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000249292969 532561638 /nfs/dbraw/zinc/56/16/38/532561638.db2.gz BGBBTXVRMRXSCJ-LSDHHAIUSA-N 1 0 387.571 2.061 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000654452805 532561692 /nfs/dbraw/zinc/56/16/92/532561692.db2.gz XQOKWGZLIIFXNU-CYBMUJFWSA-N 1 0 398.301 2.074 20 0 GEADRO CSC1(CNC(=O)N2CCN(Cc3ccsc3)CC2)CC[NH+](C)CC1 ZINC000565570320 532570001 /nfs/dbraw/zinc/57/00/01/532570001.db2.gz BGKNRDGZAIHLKN-UHFFFAOYSA-N 1 0 382.599 2.403 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000283845465 532562062 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COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1Br ZINC000249267745 532563307 /nfs/dbraw/zinc/56/33/07/532563307.db2.gz ZRXFXOSFXNGNNV-SMDDNHRTSA-N 1 0 398.301 2.195 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1Br ZINC000249251607 532563414 /nfs/dbraw/zinc/56/34/14/532563414.db2.gz XZDJNNMACODKDK-TZMCWYRMSA-N 1 0 380.286 2.391 20 0 GEADRO Cc1ccc(CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C(C)C)s1 ZINC000283890426 532563997 /nfs/dbraw/zinc/56/39/97/532563997.db2.gz CIDJZTKGXYBQQE-SFHVURJKSA-N 1 0 383.583 2.347 20 0 GEADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249389787 532564680 /nfs/dbraw/zinc/56/46/80/532564680.db2.gz XXHLLCKVQKNBGI-QLFBSQMISA-N 1 0 380.286 2.188 20 0 GEADRO [NH3+]CC[C@H](NC(=O)c1cc(F)c(F)cc1I)C(F)F ZINC000565480637 532565509 /nfs/dbraw/zinc/56/55/09/532565509.db2.gz XLCBFXOSSJTPHZ-VIFPVBQESA-N 1 0 390.118 2.282 20 0 GEADRO C[C@H](NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000433394952 532566920 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2.460 20 0 GEADRO [NH3+][C@H]1Cc2ccccc2N(S(=O)(=O)Cc2ncsc2Br)C1 ZINC000631945395 532569015 /nfs/dbraw/zinc/56/90/15/532569015.db2.gz XGZWLYJQLMRQOV-JTQLQIEISA-N 1 0 388.312 2.125 20 0 GEADRO CC(=O)NCC[N@@H+](CCCC(=O)N(C)C)Cc1ccc(Br)s1 ZINC000565549701 532569358 /nfs/dbraw/zinc/56/93/58/532569358.db2.gz OUCCOOGWVNQELD-UHFFFAOYSA-N 1 0 390.347 2.317 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)ccc1Cl ZINC000631153430 532546001 /nfs/dbraw/zinc/54/60/01/532546001.db2.gz WJDBXSYYMKEQRY-CZUORRHYSA-N 1 0 381.885 2.392 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000375272924 532545974 /nfs/dbraw/zinc/54/59/74/532545974.db2.gz VEFAISZDPLJWKU-ZDUSSCGKSA-N 1 0 395.301 2.260 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)s1 ZINC000283562957 532546357 /nfs/dbraw/zinc/54/63/57/532546357.db2.gz PHLKIIMUWHQZSY-UHFFFAOYSA-N 1 0 388.559 2.234 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000654018593 532546402 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GEADRO C[C@H]1CSCCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000283598585 532547606 /nfs/dbraw/zinc/54/76/06/532547606.db2.gz WBSJMEATHMZSQC-CABCVRRESA-N 1 0 381.567 2.213 20 0 GEADRO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000631954626 532569598 /nfs/dbraw/zinc/56/95/98/532569598.db2.gz SKYWZDKXFZZZIZ-AAEUAGOBSA-N 1 0 381.420 2.017 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000654067799 532547978 /nfs/dbraw/zinc/54/79/78/532547978.db2.gz BZWNZLGUFGTCCH-MAZHCROVSA-N 1 0 394.313 2.258 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)c3c(F)cncc3Br)CC2)CC1 ZINC000631193681 532547988 /nfs/dbraw/zinc/54/79/88/532547988.db2.gz YJCPYUFEUMIRLP-UHFFFAOYSA-N 1 0 399.308 2.083 20 0 GEADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000565094065 532548612 /nfs/dbraw/zinc/54/86/12/532548612.db2.gz PJCIOESOJOCVOH-UHFFFAOYSA-N 1 0 388.555 2.025 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2nnc3ccc(Br)cn32)CC[N@@H+]1C ZINC000296864346 532548829 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Cc1nc(C(F)(F)F)c(CN2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000262078673 532584580 /nfs/dbraw/zinc/58/45/80/532584580.db2.gz DUGKPTYFSGISRZ-GFCCVEGCSA-N 1 0 376.448 2.114 20 0 GEADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000284307672 532585396 /nfs/dbraw/zinc/58/53/96/532585396.db2.gz IVYIWCZINTXYNM-CYBMUJFWSA-N 1 0 380.901 2.140 20 0 GEADRO O=C(Cc1csc(-c2ccccc2Cl)n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299207 532585746 /nfs/dbraw/zinc/58/57/46/532585746.db2.gz LGLPDWPCHDOICV-UONOGXRCSA-N 1 0 377.897 2.283 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(O)cc(Br)c1 ZINC000528873949 532586158 /nfs/dbraw/zinc/58/61/58/532586158.db2.gz CNZSDKXQKAYBSV-FVQBIDKESA-N 1 0 383.286 2.478 20 0 GEADRO COCC1(CNS(=O)(=O)c2ccc(C)c(Br)c2)CC[NH2+]CC1 ZINC000262134610 532586146 /nfs/dbraw/zinc/58/61/46/532586146.db2.gz YOUCDGDKNYXSTF-UHFFFAOYSA-N 1 0 391.331 2.052 20 0 GEADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1cncc(Br)c1 ZINC000262136173 532586311 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C[C@H](C[NH3+])C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000262357167 532589727 /nfs/dbraw/zinc/58/97/27/532589727.db2.gz GXBNSYVEVNLYFA-LLVKDONJSA-N 1 0 388.249 2.256 20 0 GEADRO CO[C@@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1Br ZINC000655465018 532589739 /nfs/dbraw/zinc/58/97/39/532589739.db2.gz ORSDQNGNZYSGNP-XJKSGUPXSA-N 1 0 397.313 2.351 20 0 GEADRO CC(=O)c1ccc(NC[C@](C)(O)C[NH+](C)C)c(I)c1 ZINC000596172558 532590171 /nfs/dbraw/zinc/59/01/71/532590171.db2.gz LGMPHXXLZPKHDH-AWEZNQCLSA-N 1 0 376.238 2.218 20 0 GEADRO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000375997630 532590315 /nfs/dbraw/zinc/59/03/15/532590315.db2.gz XODGEQSWRBGEJG-MRXNPFEDSA-N 1 0 376.913 2.470 20 0 GEADRO CCc1nc([C@H](C)NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cs1 ZINC000284409257 532590880 /nfs/dbraw/zinc/59/08/80/532590880.db2.gz NOBHBFSVJJITGL-AAEUAGOBSA-N 1 0 380.539 2.363 20 0 GEADRO C[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655488440 532591072 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COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(Br)nn2C)cc1 ZINC000284455916 532593482 /nfs/dbraw/zinc/59/34/82/532593482.db2.gz SUJAXDNXQJHAJF-CYBMUJFWSA-N 1 0 381.274 2.224 20 0 GEADRO CCCc1c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)nnn1-c1cccc(Cl)c1 ZINC000655512706 532593600 /nfs/dbraw/zinc/59/36/00/532593600.db2.gz YRVXLARKIRWHMF-LBPRGKRZSA-N 1 0 375.782 2.493 20 0 GEADRO COc1cc(C[NH2+]CCC(=O)Nc2cc(C)on2)cc(Br)c1OC ZINC000566108997 532593602 /nfs/dbraw/zinc/59/36/02/532593602.db2.gz IGOHNMMAHVXILZ-UHFFFAOYSA-N 1 0 398.257 2.881 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000262424197 532593582 /nfs/dbraw/zinc/59/35/82/532593582.db2.gz GUFNWRNXCHNNQU-ZDUSSCGKSA-N 1 0 391.946 2.143 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(F)(F)F ZINC000655509325 532593775 /nfs/dbraw/zinc/59/37/75/532593775.db2.gz HFDUUQQROORUPG-WRWORJQWSA-N 1 0 384.185 2.352 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C(F)(F)F ZINC000655510253 532594008 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CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCCCn1cc(Br)cn1 ZINC000472312007 532570675 /nfs/dbraw/zinc/57/06/75/532570675.db2.gz IXKDZDMUSJYZSA-HNNXBMFYSA-N 1 0 386.338 2.407 20 0 GEADRO [NH3+][C@H](CCNS(=O)(=O)c1ncccc1Br)Cc1ccccc1 ZINC000631965138 532571001 /nfs/dbraw/zinc/57/10/01/532571001.db2.gz UHXJWSVDXTZPDG-CYBMUJFWSA-N 1 0 384.299 2.083 20 0 GEADRO COC(=O)c1cccc(Cl)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375637942 532571760 /nfs/dbraw/zinc/57/17/60/532571760.db2.gz XSHKLJSPWMETOI-FUNVUKJBSA-N 1 0 386.901 2.372 20 0 GEADRO C[NH+](C)CCCNC(=O)NCc1c(Br)cncc1Br ZINC000654852550 532571897 /nfs/dbraw/zinc/57/18/97/532571897.db2.gz VUBCRRWNRHJONH-UHFFFAOYSA-N 1 0 394.111 2.358 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000565589488 532572009 /nfs/dbraw/zinc/57/20/09/532572009.db2.gz ILWURCWPPSUTCC-UHFFFAOYSA-N 1 0 395.301 2.051 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000631996697 532572443 /nfs/dbraw/zinc/57/24/43/532572443.db2.gz JDARYJNUOYTWJI-LBPRGKRZSA-N 1 0 380.436 2.078 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1sccc1-n1ccnn1 ZINC000654880623 532573363 /nfs/dbraw/zinc/57/33/63/532573363.db2.gz WSOMVMKZWSSENR-UHFFFAOYSA-N 1 0 377.539 2.420 20 0 GEADRO Cc1c(Br)cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(=O)n1C ZINC000433601577 532573440 /nfs/dbraw/zinc/57/34/40/532573440.db2.gz ZPNGRDPEVNBKOY-RYUDHWBXSA-N 1 0 384.318 2.449 20 0 GEADRO C[C@]12COC[C@@H]1C[N@H+](CC(=O)Nc1ccc(I)cc1)C2 ZINC000595759389 532573779 /nfs/dbraw/zinc/57/37/79/532573779.db2.gz PDYPZGQJYSQZLK-NHYWBVRUSA-N 1 0 386.233 2.198 20 0 GEADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000284075016 532574918 /nfs/dbraw/zinc/57/49/18/532574918.db2.gz MVZGTPFONXYDMF-MRXNPFEDSA-N 1 0 389.974 2.304 20 0 GEADRO C[C@@H]1C[NH+](CCCCNc2cc(Br)cnc2C(N)=O)C[C@@H](C)O1 ZINC000472491822 532575450 /nfs/dbraw/zinc/57/54/50/532575450.db2.gz BJJHNJAXQYAFTF-VXGBXAGGSA-N 1 0 385.306 2.244 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261644160 532576347 /nfs/dbraw/zinc/57/63/47/532576347.db2.gz CTBCQHUTBRZRHK-ZDUSSCGKSA-N 1 0 379.707 2.477 20 0 GEADRO O=S(=O)(NCCN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000261685442 532576460 /nfs/dbraw/zinc/57/64/60/532576460.db2.gz KHFZWJYAKZVIDI-GOSISDBHSA-N 1 0 379.913 2.265 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)c1sc2c(c1I)CNC2 ZINC000595925110 532576481 /nfs/dbraw/zinc/57/64/81/532576481.db2.gz VEZZFDSNRCRFPD-UHFFFAOYSA-N 1 0 393.294 2.203 20 0 GEADRO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000595907241 532576581 /nfs/dbraw/zinc/57/65/81/532576581.db2.gz HSIFXDGHHWVABW-MWLCHTKSSA-N 1 0 381.420 2.382 20 0 GEADRO COC[C@]1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCC[NH2+]1 ZINC000261663882 532576754 /nfs/dbraw/zinc/57/67/54/532576754.db2.gz KVUZUXCBFRJPHD-CYBMUJFWSA-N 1 0 386.823 2.406 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N(C)CC(C)(C)[NH3+] ZINC000595904063 532576889 /nfs/dbraw/zinc/57/68/89/532576889.db2.gz XVPDLMOQDJAHLI-SNVBAGLBSA-N 1 0 375.254 2.287 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000565822687 532578205 /nfs/dbraw/zinc/57/82/05/532578205.db2.gz MMIQFWCMADJASY-MRXNPFEDSA-N 1 0 395.345 2.277 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261739645 532578406 /nfs/dbraw/zinc/57/84/06/532578406.db2.gz NQXZRGGLSLIGFZ-UHFFFAOYSA-N 1 0 380.217 2.034 20 0 GEADRO O=C(c1cc(I)c[nH]1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595935905 532578526 /nfs/dbraw/zinc/57/85/26/532578526.db2.gz JPULLASWVRQESM-GFCCVEGCSA-N 1 0 387.265 2.471 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000565838543 532579049 /nfs/dbraw/zinc/57/90/49/532579049.db2.gz OVNRVRUDLUBLTD-OAHLLOKOSA-N 1 0 399.329 2.381 20 0 GEADRO O=C(NCCc1ccc(I)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000595945506 532579422 /nfs/dbraw/zinc/57/94/22/532579422.db2.gz FABGUOPVYCSVRN-CQSZACIVSA-N 1 0 384.261 2.340 20 0 GEADRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000284173877 532579638 /nfs/dbraw/zinc/57/96/38/532579638.db2.gz AASQVEOIRYTQDP-CYBMUJFWSA-N 1 0 384.274 2.129 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528752606 532579728 /nfs/dbraw/zinc/57/97/28/532579728.db2.gz ZDJSLPXDDQVJMC-HDICACEKSA-N 1 0 389.323 2.265 20 0 GEADRO [NH3+][C@H](C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)C1CCOCC1 ZINC000261984357 532580048 /nfs/dbraw/zinc/58/00/48/532580048.db2.gz MJKTXBAWKMOENE-HOTGVXAUSA-N 1 0 383.286 2.103 20 0 GEADRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)Cn2cc(Br)cn2)cc1 ZINC000261981291 532580120 /nfs/dbraw/zinc/58/01/20/532580120.db2.gz OBYNFQUDBPOQSY-MRXNPFEDSA-N 1 0 377.286 2.381 20 0 GEADRO Cc1cc(NC(=O)[C@@H](C)N2C[C@](C)(CO)[C@](C)(CO)C2)ccc1Br ZINC000528750750 532580196 /nfs/dbraw/zinc/58/01/96/532580196.db2.gz ILDPIWJTMOUMKX-XWIAVFTESA-N 1 0 399.329 2.397 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000595941865 532580384 /nfs/dbraw/zinc/58/03/84/532580384.db2.gz DJXHEQOYDSWQNA-AXBAYZIKSA-N 1 0 385.327 2.287 20 0 GEADRO O=C(NCCc1ccc(I)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000595945505 532580434 /nfs/dbraw/zinc/58/04/34/532580434.db2.gz FABGUOPVYCSVRN-AWEZNQCLSA-N 1 0 384.261 2.340 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)c1cc(F)c(F)cc1I ZINC000595942448 532580511 /nfs/dbraw/zinc/58/05/11/532580511.db2.gz HUGOFRHRSBLTJK-UHFFFAOYSA-N 1 0 378.160 2.133 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1Cl ZINC000433874317 532580660 /nfs/dbraw/zinc/58/06/60/532580660.db2.gz VVFOECWCYVDCEN-OCCSQVGLSA-N 1 0 378.947 2.323 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)n2)cc1 ZINC000261995753 532581196 /nfs/dbraw/zinc/58/11/96/532581196.db2.gz AHCNMNALMWVCNF-UHFFFAOYSA-N 1 0 379.507 2.224 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000433851496 532581342 /nfs/dbraw/zinc/58/13/42/532581342.db2.gz IRCHNFDJUMWASN-UHFFFAOYSA-N 1 0 388.737 2.351 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000297320268 532581461 /nfs/dbraw/zinc/58/14/61/532581461.db2.gz IUOXPYGHOVTYTP-UHFFFAOYSA-N 1 0 385.917 2.065 20 0 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CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCS2(=O)=O)[C@H]1Sc1ccccc1 ZINC000656498638 532620869 /nfs/dbraw/zinc/62/08/69/532620869.db2.gz IJOVMKLXRFNUEP-RCCFBDPRSA-N 1 0 384.567 2.340 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284804340 532621018 /nfs/dbraw/zinc/62/10/18/532621018.db2.gz LGCNFHDNQHNNPJ-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000263249425 532621046 /nfs/dbraw/zinc/62/10/46/532621046.db2.gz PSEDKVAGTYLTIF-WMLDXEAASA-N 1 0 382.302 2.203 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262717811 532597826 /nfs/dbraw/zinc/59/78/26/532597826.db2.gz HEACISHBWWHJRQ-AWEZNQCLSA-N 1 0 393.285 2.379 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529374946 532598072 /nfs/dbraw/zinc/59/80/72/532598072.db2.gz FUJGLVHNIHXWFJ-UONOGXRCSA-N 1 0 382.302 2.284 20 0 GEADRO Cc1cc(Br)cc2c(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)coc21 ZINC000473739927 532598243 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GEADRO CS[C@H](C)CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000284537338 532599718 /nfs/dbraw/zinc/59/97/18/532599718.db2.gz CBZOLHRPEUUJAO-CYBMUJFWSA-N 1 0 383.945 2.288 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)N[C@@H](C)C[NH+](C)C)C2 ZINC000596601231 532599976 /nfs/dbraw/zinc/59/99/76/532599976.db2.gz PTLNXXWVHKTTMG-QMMMGPOBSA-N 1 0 390.303 2.273 20 0 GEADRO Ic1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000596651231 532601318 /nfs/dbraw/zinc/60/13/18/532601318.db2.gz CNJDPMXQHGOSRL-JKSUJKDBSA-N 1 0 386.277 2.190 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H]1O ZINC000529408278 532601294 /nfs/dbraw/zinc/60/12/94/532601294.db2.gz JRDIRCUFHPXCSL-YUMQZZPRSA-N 1 0 398.120 2.020 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccc(I)c1 ZINC000262773753 532601338 /nfs/dbraw/zinc/60/13/38/532601338.db2.gz WPCLZWSKTSXJBS-UHFFFAOYSA-N 1 0 382.267 2.087 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000262785880 532601431 /nfs/dbraw/zinc/60/14/31/532601431.db2.gz 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C[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)Oc1ccc(Br)cc1 ZINC000655918059 532603059 /nfs/dbraw/zinc/60/30/59/532603059.db2.gz DMESEANBNZROCX-KWQFWETISA-N 1 0 384.196 2.405 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)Cc1ncsc1Br ZINC000632343581 532603339 /nfs/dbraw/zinc/60/33/39/532603339.db2.gz UNIMVXCBACYRON-SNVBAGLBSA-N 1 0 384.365 2.445 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)C(F)(F)F ZINC000655915010 532604187 /nfs/dbraw/zinc/60/41/87/532604187.db2.gz QEDGJLKTRMEULF-NWDGAFQWSA-N 1 0 396.207 2.422 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1nc2ccc(Br)cn2n1 ZINC000655916211 532604237 /nfs/dbraw/zinc/60/42/37/532604237.db2.gz TTXJEMMDGWBQFT-QWHCGFSZSA-N 1 0 378.274 2.239 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000297705873 532604357 /nfs/dbraw/zinc/60/43/57/532604357.db2.gz CFJYHTFEGGVNRX-UHFFFAOYSA-N 1 0 396.329 2.350 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cncc(Br)c2C)CC1 ZINC000596804349 532604570 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GEADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cccc(Br)n1)C(C)(C)C ZINC000284681496 532610007 /nfs/dbraw/zinc/61/00/07/532610007.db2.gz HAQKBQYTQKDBMQ-NSHDSACASA-N 1 0 385.306 2.265 20 0 GEADRO CNC(=O)[C@H]1C[N@H+](Cc2sccc2Br)C[C@@H]1c1cnn(C)c1 ZINC000284688028 532610070 /nfs/dbraw/zinc/61/00/70/532610070.db2.gz WGPLPOVQDHPFLT-NEPJUHHUSA-N 1 0 383.315 2.206 20 0 GEADRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3oc4ccccc4c3Br)C2)N1 ZINC000656257577 532610182 /nfs/dbraw/zinc/61/01/82/532610182.db2.gz IJYGRICJUXVOEQ-MRXNPFEDSA-N 1 0 378.226 2.369 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cc(F)ccc2Br)CCSC1 ZINC000435227393 532610486 /nfs/dbraw/zinc/61/04/86/532610486.db2.gz QKZXGNNICUBHBB-ZDUSSCGKSA-N 1 0 397.335 2.304 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263015843 532611153 /nfs/dbraw/zinc/61/11/53/532611153.db2.gz QIWJYAUVMYMTGP-BLLLJJGKSA-N 1 0 383.290 2.149 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000656263877 532611230 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Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000656308181 532612485 /nfs/dbraw/zinc/61/24/85/532612485.db2.gz YXJUSUMDNFIWLR-CYBMUJFWSA-N 1 0 396.329 2.220 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656305603 532613203 /nfs/dbraw/zinc/61/32/03/532613203.db2.gz CUSQEECFMKRKQD-JMSVASOKSA-N 1 0 386.323 2.497 20 0 GEADRO C[N@@H+]1CC[C@@H]2OCCN(Cc3nc(-c4cccc(Br)c4)no3)[C@@H]2C1 ZINC000284728558 532613336 /nfs/dbraw/zinc/61/33/36/532613336.db2.gz CGFIFLHWVKOLFC-CABCVRRESA-N 1 0 393.285 2.404 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376661250 532622964 /nfs/dbraw/zinc/62/29/64/532622964.db2.gz RGBYNNVPECTMCW-CQSZACIVSA-N 1 0 384.322 2.352 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376661249 532622990 /nfs/dbraw/zinc/62/29/90/532622990.db2.gz RGBYNNVPECTMCW-AWEZNQCLSA-N 1 0 384.322 2.352 20 0 GEADRO CN(CC(=O)Nc1ccc(I)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435627996 532623399 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COc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c(Br)c1 ZINC000377400483 532657769 /nfs/dbraw/zinc/65/77/69/532657769.db2.gz MPXFHKRZWDWFAR-GOSISDBHSA-N 1 0 399.329 2.429 20 0 GEADRO O=C(CC[NH2+][C@H](CCO)c1ccc(Cl)cc1)NC(=O)NCC(F)(F)F ZINC000298541914 532657821 /nfs/dbraw/zinc/65/78/21/532657821.db2.gz NGMZRHGERODSOL-GFCCVEGCSA-N 1 0 381.782 2.131 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C[C@H]1[NH+](C)C ZINC000478527660 532658107 /nfs/dbraw/zinc/65/81/07/532658107.db2.gz GYAFQINSTUCSNP-DAXOMENPSA-N 1 0 381.929 2.197 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000298544393 532657966 /nfs/dbraw/zinc/65/79/66/532657966.db2.gz DDFOONYLHJIFSN-UHFFFAOYSA-N 1 0 390.347 2.269 20 0 GEADRO Cc1cc(NC(=O)CC[NH2+]Cc2ccc(I)c(C)c2)no1 ZINC000567700245 532658338 /nfs/dbraw/zinc/65/83/38/532658338.db2.gz IBQVPTLTQOVXSU-UHFFFAOYSA-N 1 0 399.232 3.014 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000633037420 532658933 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COC(=O)c1cc(F)c(Br)cc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601561629 532685463 /nfs/dbraw/zinc/68/54/63/532685463.db2.gz YBVWDHOGFZXWKQ-RKDXNWHRSA-N 1 0 388.237 2.433 20 0 GEADRO C[N@H+](CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCSC1 ZINC000535716814 532685580 /nfs/dbraw/zinc/68/55/80/532685580.db2.gz IUBLRPZSRUMNLI-INIZCTEOSA-N 1 0 381.929 2.062 20 0 GEADRO Cc1c(Br)csc1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000638212383 532685781 /nfs/dbraw/zinc/68/57/81/532685781.db2.gz YIIJYWLRZDNYEH-LLVKDONJSA-N 1 0 388.331 2.279 20 0 GEADRO C[NH+]1CCN(CCNC(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC000285512151 532686064 /nfs/dbraw/zinc/68/60/64/532686064.db2.gz QEOXMTALFNLJHL-UHFFFAOYSA-N 1 0 378.673 2.219 20 0 GEADRO CCOC(=O)CCCNC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285505584 532686484 /nfs/dbraw/zinc/68/64/84/532686484.db2.gz JKXKKJHCSZDOBV-OAHLLOKOSA-N 1 0 391.295 2.466 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cc(F)c(F)cc1F ZINC000264414319 532671603 /nfs/dbraw/zinc/67/16/03/532671603.db2.gz RDQGPWOPCZJQHW-UHFFFAOYSA-N 1 0 378.416 2.027 20 0 GEADRO CCN1CC[C@H]([N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000660034610 532672896 /nfs/dbraw/zinc/67/28/96/532672896.db2.gz VDWCELQNLJULMC-JSGCOSHPSA-N 1 0 395.301 2.115 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000568233926 532673446 /nfs/dbraw/zinc/67/34/46/532673446.db2.gz RQMXYMHJSPILEG-JKSUJKDBSA-N 1 0 397.317 2.023 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000568237316 532673782 /nfs/dbraw/zinc/67/37/82/532673782.db2.gz XMMUGISZBQIYFB-ZACQAIPSSA-N 1 0 396.329 2.194 20 0 GEADRO CC[NH+]1CCN(CC(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000438628725 532675214 /nfs/dbraw/zinc/67/52/14/532675214.db2.gz OTJNUZZXMUAOMJ-INIZCTEOSA-N 1 0 396.329 2.369 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264464720 532675236 /nfs/dbraw/zinc/67/52/36/532675236.db2.gz JUIQBLASXKVVAQ-HNNXBMFYSA-N 1 0 387.311 2.475 20 0 GEADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000378013927 532675652 /nfs/dbraw/zinc/67/56/52/532675652.db2.gz YCFLMPJQWCPKHK-GFCCVEGCSA-N 1 0 378.416 2.437 20 0 GEADRO O=C(CC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1 ZINC000483262604 532675904 /nfs/dbraw/zinc/67/59/04/532675904.db2.gz WKHUJIDOYCYHLZ-CQSZACIVSA-N 1 0 380.794 2.231 20 0 GEADRO [NH3+]C[C@]1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCCOC1 ZINC000638080720 532679286 /nfs/dbraw/zinc/67/92/86/532679286.db2.gz DHGBZDUTOWYAGU-KBXCAEBGSA-N 1 0 396.329 2.147 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000378063918 532679339 /nfs/dbraw/zinc/67/93/39/532679339.db2.gz XRDPZNZZBCABJI-ZDUSSCGKSA-N 1 0 386.901 2.137 20 0 GEADRO O[C@@H](CNCc1ccc(I)c(Cl)c1)C[NH+]1CCCC1 ZINC000600734603 532679548 /nfs/dbraw/zinc/67/95/48/532679548.db2.gz HXBADENUNLMZOA-LBPRGKRZSA-N 1 0 394.684 2.491 20 0 GEADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000638078019 532679556 /nfs/dbraw/zinc/67/95/56/532679556.db2.gz XUPBGPAHRXGQAZ-SKDZVZGDSA-N 1 0 396.329 2.159 20 0 GEADRO CC[NH2+][C@@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000638074398 532679586 /nfs/dbraw/zinc/67/95/86/532679586.db2.gz XALYJDSTRCLKIR-NSHDSACASA-N 1 0 383.290 2.019 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000661509306 532679795 /nfs/dbraw/zinc/67/97/95/532679795.db2.gz MQAUOEATEPDSLC-SNVBAGLBSA-N 1 0 384.263 2.142 20 0 GEADRO O=C(CCC1C[NH2+]C1)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000638074232 532680166 /nfs/dbraw/zinc/68/01/66/532680166.db2.gz VDYHKDBRGILDNC-CYBMUJFWSA-N 1 0 395.301 2.021 20 0 GEADRO O=C([C@@H]1CCC[N@@H+](Cc2cnn3cc(Br)cnc23)C1)N1CCCC1 ZINC000638075194 532680596 /nfs/dbraw/zinc/68/05/96/532680596.db2.gz CRCJCNBCLGJCCZ-CYBMUJFWSA-N 1 0 392.301 2.326 20 0 GEADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000638080717 532680743 /nfs/dbraw/zinc/68/07/43/532680743.db2.gz DGWDKWVINZJSME-SKDZVZGDSA-N 1 0 396.329 2.159 20 0 GEADRO COCC[C@]1([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)CCOC1 ZINC000568589624 532681703 /nfs/dbraw/zinc/68/17/03/532681703.db2.gz NKIBYWGCIYOUMD-HNNXBMFYSA-N 1 0 391.331 2.254 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)s1 ZINC000484799580 532682267 /nfs/dbraw/zinc/68/22/67/532682267.db2.gz YUJDSQRBDVJHBP-UHFFFAOYSA-N 1 0 390.527 2.086 20 0 GEADRO C[NH+](C)CCCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000264911271 532682585 /nfs/dbraw/zinc/68/25/85/532682585.db2.gz NNBGQQHBMWYDRZ-CYBMUJFWSA-N 1 0 382.302 2.260 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)COCc2ccccc2Cl)CCC1 ZINC000568620971 532682830 /nfs/dbraw/zinc/68/28/30/532682830.db2.gz SIUQMIRJVRTRCI-HNNXBMFYSA-N 1 0 375.918 2.022 20 0 GEADRO CS[C@@H]1CN(C(=O)CSCC(=O)Nc2ccc(C)cc2)C[C@H]1[NH+](C)C ZINC000535542754 532683476 /nfs/dbraw/zinc/68/34/76/532683476.db2.gz NZTDXMDFQXDXNM-HZPDHXFCSA-N 1 0 381.567 2.171 20 0 GEADRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000568619744 532683504 /nfs/dbraw/zinc/68/35/04/532683504.db2.gz GQRZJFMCQWJHDW-CYBMUJFWSA-N 1 0 383.432 2.232 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000487006835 532692426 /nfs/dbraw/zinc/69/24/26/532692426.db2.gz PDFFPSKQPUTBAA-ZDUSSCGKSA-N 1 0 389.327 2.450 20 0 GEADRO COc1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c(Br)c1 ZINC000285581678 532692821 /nfs/dbraw/zinc/69/28/21/532692821.db2.gz VFLQTSJTMRJVML-UHFFFAOYSA-N 1 0 382.258 2.068 20 0 GEADRO CC[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1cc(F)cc(Br)c1 ZINC000487044172 532692933 /nfs/dbraw/zinc/69/29/33/532692933.db2.gz OCLCNQFAZXTKBA-HOCLYGCPSA-N 1 0 388.281 2.405 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000569278538 532693894 /nfs/dbraw/zinc/69/38/94/532693894.db2.gz IKSQKXBDOAHADT-QMMMGPOBSA-N 1 0 392.681 2.116 20 0 GEADRO O=C(c1cc[nH]c(=O)c1Br)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640445551 532694417 /nfs/dbraw/zinc/69/44/17/532694417.db2.gz YRWQUYXBJYLVEG-UHFFFAOYSA-N 1 0 377.242 2.297 20 0 GEADRO CC1(C)C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[C@H]1O ZINC000439442402 532694449 /nfs/dbraw/zinc/69/44/49/532694449.db2.gz RNBPIDZZUINMIA-UKRRQHHQSA-N 1 0 376.266 2.421 20 0 GEADRO C[C@@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C[N@@H+]1C ZINC000439441939 532694794 /nfs/dbraw/zinc/69/47/94/532694794.db2.gz TVVXUEFOBPQSLU-XUJVJEKNSA-N 1 0 375.282 2.352 20 0 GEADRO C[C@@H](CNC(=O)COc1cccc(I)c1)[NH+]1CCCC1 ZINC000569304478 532694855 /nfs/dbraw/zinc/69/48/55/532694855.db2.gz IYVOYBUTBDHYHL-LBPRGKRZSA-N 1 0 388.249 2.271 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN([C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@H]21 ZINC000378447823 532695357 /nfs/dbraw/zinc/69/53/57/532695357.db2.gz BGOUQLNWSLBYOM-UHOFOFEASA-N 1 0 392.297 2.107 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000439537005 532695461 /nfs/dbraw/zinc/69/54/61/532695461.db2.gz PNPTVPUSUQIPOO-CYBMUJFWSA-N 1 0 383.286 2.315 20 0 GEADRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2ccncc2Br)CC1 ZINC000378467911 532695526 /nfs/dbraw/zinc/69/55/26/532695526.db2.gz XRWHTCOXKFFSJJ-UHFFFAOYSA-N 1 0 382.302 2.419 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c(Br)c1 ZINC000378452664 532695703 /nfs/dbraw/zinc/69/57/03/532695703.db2.gz MUPPGAPRTYTLQZ-LLVKDONJSA-N 1 0 395.305 2.301 20 0 GEADRO CN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@H]1C[NH+]2CCC1CC2 ZINC000439538327 532696189 /nfs/dbraw/zinc/69/61/89/532696189.db2.gz ZPANMTADZGTSNN-HNNXBMFYSA-N 1 0 395.297 2.315 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc(Cl)c1OC ZINC000378463150 532696273 /nfs/dbraw/zinc/69/62/73/532696273.db2.gz PHMKAADOUODWTH-GUYCJALGSA-N 1 0 389.901 2.183 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC1CC[NH+](CCOC)CC1)c1ccc(Cl)s1 ZINC000285666890 532696591 /nfs/dbraw/zinc/69/65/91/532696591.db2.gz WMTOBKIRCVBAIQ-CYBMUJFWSA-N 1 0 387.933 2.196 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)[C@@H]1CCOC1 ZINC000265468482 532697971 /nfs/dbraw/zinc/69/79/71/532697971.db2.gz IDUONOAQMKEHTE-OAHLLOKOSA-N 1 0 380.432 2.188 20 0 GEADRO Cc1nc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)sc1Br ZINC000536684309 532698069 /nfs/dbraw/zinc/69/80/69/532698069.db2.gz SZAUUCIGVHBUQY-UHFFFAOYSA-N 1 0 382.349 2.176 20 0 GEADRO CCC(C)(C)NC(=O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640865489 532699209 /nfs/dbraw/zinc/69/92/09/532699209.db2.gz PETCHEFEKVOGOX-HNNXBMFYSA-N 1 0 380.290 2.394 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000265921521 532699514 /nfs/dbraw/zinc/69/95/14/532699514.db2.gz HCIXQFNSCOLFKA-UHFFFAOYSA-N 1 0 384.318 2.322 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)c1 ZINC000378629493 532700384 /nfs/dbraw/zinc/70/03/84/532700384.db2.gz VGJNKPGNKLUCCU-GFCCVEGCSA-N 1 0 391.269 2.398 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cnc1Br ZINC000378632228 532700630 /nfs/dbraw/zinc/70/06/30/532700630.db2.gz JYBCHAPZZQPBTL-LBPRGKRZSA-N 1 0 395.301 2.224 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)C1 ZINC000604408538 532700972 /nfs/dbraw/zinc/70/09/72/532700972.db2.gz RWUHUIKVFDPMSZ-NSHDSACASA-N 1 0 398.381 2.455 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439765754 532701579 /nfs/dbraw/zinc/70/15/79/532701579.db2.gz KMIYYZNTJYQQLW-UHFFFAOYSA-N 1 0 380.247 2.156 20 0 GEADRO CC1(C)[C@@H](CS(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1(F)F ZINC000641603007 532701720 /nfs/dbraw/zinc/70/17/20/532701720.db2.gz ZQBJTJXMIRJKBE-OAHLLOKOSA-N 1 0 380.501 2.088 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000485557249 532687038 /nfs/dbraw/zinc/68/70/38/532687038.db2.gz HXOFPYJZGLSUFI-GXTWGEPZSA-N 1 0 382.302 2.422 20 0 GEADRO Cc1nc2ccccc2nc1C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000638788311 532687404 /nfs/dbraw/zinc/68/74/04/532687404.db2.gz MYXDAGIHMYHJOH-UHFFFAOYSA-N 1 0 376.507 2.410 20 0 GEADRO Cn1cc(-c2ccc(C[NH2+][C@@H]3CCCN(S(=O)(=O)C4CC4)C3)s2)cn1 ZINC000285516195 532688079 /nfs/dbraw/zinc/68/80/79/532688079.db2.gz OMKMEGRJXDAERB-CQSZACIVSA-N 1 0 380.539 2.195 20 0 GEADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000639091508 532689133 /nfs/dbraw/zinc/68/91/33/532689133.db2.gz PDLOWYOWBGIXMF-MRXNPFEDSA-N 1 0 375.270 2.493 20 0 GEADRO C[C@@H]1CN(C2CCOCC2)CCN1S(=O)(=O)CCc1cccc(Cl)c1 ZINC000285538845 532689498 /nfs/dbraw/zinc/68/94/98/532689498.db2.gz HOLPZNAQHDMFGP-OAHLLOKOSA-N 1 0 386.945 2.397 20 0 GEADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639091298 532689561 /nfs/dbraw/zinc/68/95/61/532689561.db2.gz NTTUQLMPRBCEHL-MRXNPFEDSA-N 1 0 375.270 2.493 20 0 GEADRO O[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1cccc(F)c1 ZINC000639214654 532690533 /nfs/dbraw/zinc/69/05/33/532690533.db2.gz QTPPXMIMDDKVGG-HNNXBMFYSA-N 1 0 379.233 2.324 20 0 GEADRO O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1ccc(Br)cc1 ZINC000298999227 532690607 /nfs/dbraw/zinc/69/06/07/532690607.db2.gz SQJSSOCQXWFKKW-CABCVRRESA-N 1 0 395.301 2.314 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000285555291 532690764 /nfs/dbraw/zinc/69/07/64/532690764.db2.gz REFJVPIDOLLKNX-DZGCQCFKSA-N 1 0 380.539 2.403 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000439352043 532690855 /nfs/dbraw/zinc/69/08/55/532690855.db2.gz ORIRWHKVNSAKHW-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000285556953 532690963 /nfs/dbraw/zinc/69/09/63/532690963.db2.gz RGTOMTKQBLMABS-ZIAGYGMSSA-N 1 0 382.555 2.471 20 0 GEADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1Br ZINC000385265780 532703661 /nfs/dbraw/zinc/70/36/61/532703661.db2.gz ZCWZMDQSIPEUBZ-UHFFFAOYSA-N 1 0 398.120 2.322 20 0 GEADRO CS[C@@H]1CN(C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000537275570 532705696 /nfs/dbraw/zinc/70/56/96/532705696.db2.gz ZSUDCYCZSHBBOB-VNQPRFMTSA-N 1 0 389.359 2.166 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cscc1Br ZINC000285780232 532706074 /nfs/dbraw/zinc/70/60/74/532706074.db2.gz XFBDAJITXQLLMX-CYBMUJFWSA-N 1 0 388.331 2.183 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000489481950 532706452 /nfs/dbraw/zinc/70/64/52/532706452.db2.gz RFEGYQZXQIVTAS-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000666923332 532706925 /nfs/dbraw/zinc/70/69/25/532706925.db2.gz ISSVIDVTMAINNV-ZDUSSCGKSA-N 1 0 390.347 2.499 20 0 GEADRO COCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)[C@@H]1CCO[C@@H]1C ZINC000489488968 532707140 /nfs/dbraw/zinc/70/71/40/532707140.db2.gz VJCPTJBQKYQNDY-UKPHBRMFSA-N 1 0 388.302 2.315 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c(Br)c1 ZINC000572608592 532707324 /nfs/dbraw/zinc/70/73/24/532707324.db2.gz JSJWYXFEPZRCIS-UHFFFAOYSA-N 1 0 377.304 2.207 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000608027029 532707715 /nfs/dbraw/zinc/70/77/15/532707715.db2.gz GAEYCASQWHIANS-XHDPSFHLSA-N 1 0 385.917 2.185 20 0 GEADRO COC[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000572640533 532708075 /nfs/dbraw/zinc/70/80/75/532708075.db2.gz OMXNASQWMCTFNB-IAGOWNOFSA-N 1 0 389.949 2.278 20 0 GEADRO COC[C@H](C)n1ccc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000572639276 532708593 /nfs/dbraw/zinc/70/85/93/532708593.db2.gz ZIMBVDSCGFIFHH-MEDUHNTESA-N 1 0 381.274 2.666 20 0 GEADRO COC[C@@H](C)n1ccc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000572639275 532708815 /nfs/dbraw/zinc/70/88/15/532708815.db2.gz ZIMBVDSCGFIFHH-BZNIZROVSA-N 1 0 381.274 2.666 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000299309438 532709075 /nfs/dbraw/zinc/70/90/75/532709075.db2.gz VLBFLWJBLFFJRB-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)NCCN2CCSCC2)s1 ZINC000266223835 532709403 /nfs/dbraw/zinc/70/94/03/532709403.db2.gz XEQKZODDLAXAMG-UHFFFAOYSA-N 1 0 385.374 2.146 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000440335199 532709765 /nfs/dbraw/zinc/70/97/65/532709765.db2.gz FXHZRNDXKUEOMD-DTWKUNHWSA-N 1 0 383.258 2.394 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)NC[C@H](C)CN2CCOCC2)s1 ZINC000266223717 532709802 /nfs/dbraw/zinc/70/98/02/532709802.db2.gz WZRVHVUBPLWKPV-JTQLQIEISA-N 1 0 397.360 2.066 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000266227774 532709855 /nfs/dbraw/zinc/70/98/55/532709855.db2.gz BFTKXMJYCRAUPV-SUMWQHHRSA-N 1 0 386.323 2.435 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000266227768 532709905 /nfs/dbraw/zinc/70/99/05/532709905.db2.gz BFTKXMJYCRAUPV-CXAGYDPISA-N 1 0 386.323 2.435 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000440344274 532709968 /nfs/dbraw/zinc/70/99/68/532709968.db2.gz WGBUIMWTUWFFPQ-LLVKDONJSA-N 1 0 377.304 2.268 20 0 GEADRO CN(CC1=CCSC1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000668370846 532710224 /nfs/dbraw/zinc/71/02/24/532710224.db2.gz DMDMAAAUNNZBKH-OAHLLOKOSA-N 1 0 379.551 2.133 20 0 GEADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Br)C1 ZINC000440337064 532710396 /nfs/dbraw/zinc/71/03/96/532710396.db2.gz IJZWHZAUBWEYRR-QMMMGPOBSA-N 1 0 383.695 2.094 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)C1 ZINC000608047638 532710663 /nfs/dbraw/zinc/71/06/63/532710663.db2.gz VYFGBOKOLQHQAU-HIFRSBDPSA-N 1 0 387.571 2.298 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC1 ZINC000668374003 532710720 /nfs/dbraw/zinc/71/07/20/532710720.db2.gz PYXOVEXWBMPYFT-UHFFFAOYSA-N 1 0 384.307 2.479 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000266243404 532710804 /nfs/dbraw/zinc/71/08/04/532710804.db2.gz AJKDYURTLGGDJL-GFCCVEGCSA-N 1 0 376.320 2.197 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1Br ZINC000440361620 532711618 /nfs/dbraw/zinc/71/16/18/532711618.db2.gz UZCBYQXDINTLBL-MNOVXSKESA-N 1 0 377.304 2.124 20 0 GEADRO CC1(C)C[C@H](O)CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000395375405 532711700 /nfs/dbraw/zinc/71/17/00/532711700.db2.gz POUWNVVMVUAILH-CQSZACIVSA-N 1 0 380.286 2.440 20 0 GEADRO C[C@@H](NC(=O)c1cc(I)ccc1O)C1CC[NH+](C)CC1 ZINC000396474819 532711752 /nfs/dbraw/zinc/71/17/52/532711752.db2.gz DRLZTLWZPIMOIR-SNVBAGLBSA-N 1 0 388.249 2.457 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000440412347 532713723 /nfs/dbraw/zinc/71/37/23/532713723.db2.gz KWNLWXAHSHLNHK-JTQLQIEISA-N 1 0 384.479 2.042 20 0 GEADRO O=S(=O)(c1cc(Br)c(F)cc1F)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440440811 532714288 /nfs/dbraw/zinc/71/42/88/532714288.db2.gz GRXZVMFZPCVYCN-SECBINFHSA-N 1 0 381.242 2.242 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)c1cnc2sccn2c1=O)c1ccc(Cl)cc1 ZINC000670172695 532714652 /nfs/dbraw/zinc/71/46/52/532714652.db2.gz KIICUGDZQHIDEG-AWEZNQCLSA-N 1 0 376.869 2.442 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000440447473 532714801 /nfs/dbraw/zinc/71/48/01/532714801.db2.gz OQXSVBRUOAZHKT-LBPRGKRZSA-N 1 0 393.303 2.032 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cccn2c(I)cnc12 ZINC000285861368 532715029 /nfs/dbraw/zinc/71/50/29/532715029.db2.gz BBOWCUGKYMRICY-NSHDSACASA-N 1 0 398.248 2.282 20 0 GEADRO Cn1cc(Br)cc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440517416 532715465 /nfs/dbraw/zinc/71/54/65/532715465.db2.gz IDCLTUCNVJIJOE-GOSISDBHSA-N 1 0 392.297 2.154 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CSCc2cccc(Cl)c2)C1 ZINC000608867167 532715597 /nfs/dbraw/zinc/71/55/97/532715597.db2.gz JLEOVQCFIXKRBP-HNNXBMFYSA-N 1 0 383.945 2.277 20 0 GEADRO CC1(c2ccc(Br)cc2)CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000440521214 532716778 /nfs/dbraw/zinc/71/67/78/532716778.db2.gz XCBVVMCADPSYDS-UHFFFAOYSA-N 1 0 375.332 2.481 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1ccc(Br)cc1)CCO2 ZINC000645268377 532716792 /nfs/dbraw/zinc/71/67/92/532716792.db2.gz ROXGUZNSYDPWCS-UHFFFAOYSA-N 1 0 382.302 2.455 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1Br ZINC000494317079 532717051 /nfs/dbraw/zinc/71/70/51/532717051.db2.gz KYNZHBIIWZHGBF-PWSUYJOCSA-N 1 0 383.290 2.413 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000670496017 532717181 /nfs/dbraw/zinc/71/71/81/532717181.db2.gz BHQROHZXTVWRTN-GFCCVEGCSA-N 1 0 384.307 2.419 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670494745 532717891 /nfs/dbraw/zinc/71/78/91/532717891.db2.gz KXLYJZMIFLJXDB-HNNXBMFYSA-N 1 0 384.307 2.253 20 0 GEADRO O=C(NCc1ccccc1Br)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670851729 532720169 /nfs/dbraw/zinc/72/01/69/532720169.db2.gz ZJRLHHYWNQZTNA-HNNXBMFYSA-N 1 0 394.313 2.152 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)Oc1ccccc1Br ZINC000538821984 532721270 /nfs/dbraw/zinc/72/12/70/532721270.db2.gz OUTFXCJIGUYHJH-UONOGXRCSA-N 1 0 387.318 2.425 20 0 GEADRO C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccc(Br)s1 ZINC000575916414 532722311 /nfs/dbraw/zinc/72/23/11/532722311.db2.gz HDAUFDCKBBQIRG-ZMLRMANQSA-N 1 0 398.330 2.441 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc(Br)cc2c1OCC2)[C@@H]1CCC[NH2+]C1 ZINC000440737417 532722386 /nfs/dbraw/zinc/72/23/86/532722386.db2.gz RQPLMIXPPJNXAS-CMPLNLGQSA-N 1 0 389.315 2.050 20 0 GEADRO Cc1cc(NC(=O)CN2CCOC3(CC[NH+](C)CC3)C2)ccc1Br ZINC000646104194 532723112 /nfs/dbraw/zinc/72/31/12/532723112.db2.gz AQDPISVRWTUALN-UHFFFAOYSA-N 1 0 396.329 2.493 20 0 GEADRO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000440862692 532723195 /nfs/dbraw/zinc/72/31/95/532723195.db2.gz OUDCFHUWRXZBLA-ZFWWWQNUSA-N 1 0 388.917 2.176 20 0 GEADRO CCN(CC)c1nc2sc(C(=O)NCC3(O)CC[NH+](C)CC3)cc2s1 ZINC000266700923 532723196 /nfs/dbraw/zinc/72/31/96/532723196.db2.gz GEWJTKIMVWCCHA-UHFFFAOYSA-N 1 0 382.555 2.391 20 0 GEADRO CN(C)c1nc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cs1 ZINC000646140710 532723398 /nfs/dbraw/zinc/72/33/98/532723398.db2.gz KTTLERDNQDOJHQ-HNNXBMFYSA-N 1 0 383.315 2.462 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000612971882 532724100 /nfs/dbraw/zinc/72/41/00/532724100.db2.gz XHXQALWDNKFEET-HOCLYGCPSA-N 1 0 393.329 2.469 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000646480740 532724815 /nfs/dbraw/zinc/72/48/15/532724815.db2.gz ZYGRITUAHGRBEY-WWGRRREGSA-N 1 0 394.313 2.353 20 0 GEADRO O=C1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)[C@H](C2CC2)N1 ZINC000576152327 532724896 /nfs/dbraw/zinc/72/48/96/532724896.db2.gz AYXATBAQYWUIRV-PBHICJAKSA-N 1 0 390.285 2.177 20 0 GEADRO C[C@H](CC[NH3+])NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000440864913 532725205 /nfs/dbraw/zinc/72/52/05/532725205.db2.gz WYXQVBVWMJRNIH-SSDOTTSWSA-N 1 0 375.210 2.484 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000441772314 532725820 /nfs/dbraw/zinc/72/58/20/532725820.db2.gz DHMBBVRZQNPOQQ-RYUDHWBXSA-N 1 0 384.249 2.270 20 0 GEADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000539216003 532726421 /nfs/dbraw/zinc/72/64/21/532726421.db2.gz BLRHVKRZZHVUNJ-ZBEGNZNMSA-N 1 0 399.310 2.481 20 0 GEADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441967885 532727454 /nfs/dbraw/zinc/72/74/54/532727454.db2.gz IQFYYDLMEWKSRF-SECBINFHSA-N 1 0 388.212 2.019 20 0 GEADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000499761276 532727583 /nfs/dbraw/zinc/72/75/83/532727583.db2.gz SBYGESJGDDYQLO-DYVFJYSZSA-N 1 0 395.345 2.151 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000672700009 532728629 /nfs/dbraw/zinc/72/86/29/532728629.db2.gz VFSKSJSZKWIKJJ-HNNXBMFYSA-N 1 0 396.329 2.398 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000286115454 532730318 /nfs/dbraw/zinc/73/03/18/532730318.db2.gz MAYAUIRQWBHJCV-UHFFFAOYSA-N 1 0 395.223 2.073 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409940806 532730627 /nfs/dbraw/zinc/73/06/27/532730627.db2.gz XSCUMOSCWSAJAB-AEFFLSMTSA-N 1 0 381.314 2.083 20 0 GEADRO O=C1CC[C@@H]([NH2+]Cc2ncc(I)s2)C2(CCC2)N1 ZINC000286139091 532730988 /nfs/dbraw/zinc/73/09/88/532730988.db2.gz VMVTXGQIQRSXDK-MRVPVSSYSA-N 1 0 377.251 2.039 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000613585396 532731830 /nfs/dbraw/zinc/73/18/30/532731830.db2.gz BEWMOYCJDRWHML-UHFFFAOYSA-N 1 0 387.171 2.050 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)NCc2nc3cc(Br)ccc3o2)n1 ZINC000577076057 532732337 /nfs/dbraw/zinc/73/23/37/532732337.db2.gz MCUVIIWWHVNDCY-UHFFFAOYSA-N 1 0 392.257 2.278 20 0 GEADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000299637916 532732331 /nfs/dbraw/zinc/73/23/31/532732331.db2.gz HOQUAGXMIUZKNE-INIZCTEOSA-N 1 0 382.551 2.307 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000299467387 532718553 /nfs/dbraw/zinc/71/85/53/532718553.db2.gz XZPPWXULZWEVDA-ZIAGYGMSSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@@H](CNC(=O)CCn1cc(Br)ccc1=O)[N@@H+]1CCCC[C@@H]1C ZINC000495325065 532719466 /nfs/dbraw/zinc/71/94/66/532719466.db2.gz CBMPZYODRSUTJR-KBPBESRZSA-N 1 0 384.318 2.380 20 0 GEADRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCO1 ZINC000540707758 532742612 /nfs/dbraw/zinc/74/26/12/532742612.db2.gz NGCQMXFJEWNQCE-GOEBONIOSA-N 1 0 388.555 2.062 20 0 GEADRO C[C@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)C[NH+]1CCCC1 ZINC000614621353 532743479 /nfs/dbraw/zinc/74/34/79/532743479.db2.gz OSSPPVVJRYRETL-CYBMUJFWSA-N 1 0 377.913 2.477 20 0 GEADRO C[C@@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)C[NH+]1CCCC1 ZINC000614621354 532744049 /nfs/dbraw/zinc/74/40/49/532744049.db2.gz OSSPPVVJRYRETL-ZDUSSCGKSA-N 1 0 377.913 2.477 20 0 GEADRO COc1ccc(Cl)cc1CS(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000503243324 532744389 /nfs/dbraw/zinc/74/43/89/532744389.db2.gz HAILKZOSWCYKRH-ZFWWWQNUSA-N 1 0 378.947 2.156 20 0 GEADRO C[NH+](C)CCCCC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000580144152 532745474 /nfs/dbraw/zinc/74/54/74/532745474.db2.gz KRUFXLMSHFJOEP-INIZCTEOSA-N 1 0 382.302 2.181 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000503340717 532745473 /nfs/dbraw/zinc/74/54/73/532745473.db2.gz JGQNZBQLVIKNSV-JTQLQIEISA-N 1 0 391.331 2.231 20 0 GEADRO C[NH+](C)CC1CN(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)C1 ZINC000615510294 532747541 /nfs/dbraw/zinc/74/75/41/532747541.db2.gz DQEZJCAQZAIDRA-UHFFFAOYSA-N 1 0 377.539 2.454 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CCCC[NH+](C)C)s1 ZINC000673839701 532733232 /nfs/dbraw/zinc/73/32/32/532733232.db2.gz MYNPEIQBORJDKX-HNNXBMFYSA-N 1 0 387.571 2.010 20 0 GEADRO CCOC(=O)[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(OC)c(Br)c1 ZINC000539806051 532733553 /nfs/dbraw/zinc/73/35/53/532733553.db2.gz KGKSJJXHQOSGDN-WFASDCNBSA-N 1 0 399.285 2.130 20 0 GEADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000577098797 532733788 /nfs/dbraw/zinc/73/37/88/532733788.db2.gz IYEFCCWRKKQHEB-GDBMZVCRSA-N 1 0 385.302 2.037 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000410108169 532734236 /nfs/dbraw/zinc/73/42/36/532734236.db2.gz JJCODXXPEONGQH-CYBMUJFWSA-N 1 0 389.949 2.291 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000267141196 532734321 /nfs/dbraw/zinc/73/43/21/532734321.db2.gz YSKCRLBBPHISLA-QWHCGFSZSA-N 1 0 379.555 2.484 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000442758662 532735253 /nfs/dbraw/zinc/73/52/53/532735253.db2.gz BAOOGHADLCJMBP-AWEZNQCLSA-N 1 0 386.539 2.196 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2ccccc2I)CCSC1 ZINC000267158184 532735673 /nfs/dbraw/zinc/73/56/73/532735673.db2.gz YJWBPBUTXOKROF-AWEZNQCLSA-N 1 0 390.290 2.458 20 0 GEADRO COCc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000540331489 532735846 /nfs/dbraw/zinc/73/58/46/532735846.db2.gz NTWXVVYOPRVVAW-UHFFFAOYSA-N 1 0 384.567 2.473 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000410151811 532736123 /nfs/dbraw/zinc/73/61/23/532736123.db2.gz TXUVCCWCBOHPJU-CYBMUJFWSA-N 1 0 391.331 2.314 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000410159779 532736330 /nfs/dbraw/zinc/73/63/30/532736330.db2.gz QBCZWTZJJJUNMM-WCQYABFASA-N 1 0 391.331 2.360 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(CSc3nc[nH]n3)cc2)CCSC1 ZINC000267165735 532736917 /nfs/dbraw/zinc/73/69/17/532736917.db2.gz ZSXXVEUXSOJKAA-QGZVFWFLSA-N 1 0 377.539 2.264 20 0 GEADRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000578506269 532737364 /nfs/dbraw/zinc/73/73/64/532737364.db2.gz ASXFMDRQQGLYCQ-ZDUSSCGKSA-N 1 0 388.917 2.257 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000578505198 532737445 /nfs/dbraw/zinc/73/74/45/532737445.db2.gz BUZGZSILSBPGEE-JTQLQIEISA-N 1 0 379.766 2.388 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000540910094 532747885 /nfs/dbraw/zinc/74/78/85/532747885.db2.gz ZLKHPUBWRAAHOH-ABAIWWIYSA-N 1 0 395.301 2.170 20 0 GEADRO CN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000578506131 532737673 /nfs/dbraw/zinc/73/76/73/532737673.db2.gz KSWFLUPSIPITRT-HNNXBMFYSA-N 1 0 383.901 2.120 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540393930 532737938 /nfs/dbraw/zinc/73/79/38/532737938.db2.gz XDVMRLRKVQNKFU-JJMVLAAESA-N 1 0 376.881 2.164 20 0 GEADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000540416140 532737974 /nfs/dbraw/zinc/73/79/74/532737974.db2.gz CAQDMUPTSDQQLG-HNNXBMFYSA-N 1 0 385.873 2.251 20 0 GEADRO CCN(CC[NH3+])C(=O)c1cc(Br)ccc1I ZINC000300772050 532738247 /nfs/dbraw/zinc/73/82/47/532738247.db2.gz CWJYTUPBCJXAIM-UHFFFAOYSA-N 1 0 397.054 2.475 20 0 GEADRO C[C@@H]1CCN(CC(=O)Nc2cccc(I)c2)[C@H](C[NH3+])C1 ZINC000300177581 532738743 /nfs/dbraw/zinc/73/87/43/532738743.db2.gz NDMNDIBURKUAFH-RISCZKNCSA-N 1 0 387.265 2.289 20 0 GEADRO CN1CCN(Cc2ccc(Br)c(Br)c2)[C@H](C[NH3+])C1 ZINC000300516296 532738992 /nfs/dbraw/zinc/73/89/92/532738992.db2.gz ONYKUVIHRPTWSZ-LLVKDONJSA-N 1 0 377.124 2.286 20 0 GEADRO C[C@H](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000614508775 532739422 /nfs/dbraw/zinc/73/94/22/532739422.db2.gz YIHLOVCVULJMSO-PBHICJAKSA-N 1 0 380.330 2.449 20 0 GEADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614515015 532739487 /nfs/dbraw/zinc/73/94/87/532739487.db2.gz RPIBPNOJEHXAFS-HNNXBMFYSA-N 1 0 396.329 2.113 20 0 GEADRO COc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1I ZINC000540517862 532739972 /nfs/dbraw/zinc/73/99/72/532739972.db2.gz QUUUSTBNWIBADN-UHFFFAOYSA-N 1 0 376.238 2.324 20 0 GEADRO O=C(NCCn1cc(Br)ccc1=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000579316896 532740021 /nfs/dbraw/zinc/74/00/21/532740021.db2.gz HCOVOBDVEZQGFU-CQSZACIVSA-N 1 0 396.329 2.382 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)CC1 ZINC000540513893 532740026 /nfs/dbraw/zinc/74/00/26/532740026.db2.gz LJEZOOODBDHHRT-UHFFFAOYSA-N 1 0 387.933 2.229 20 0 GEADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000675816382 532740923 /nfs/dbraw/zinc/74/09/23/532740923.db2.gz BFLXCKNSLKOPDH-GFCCVEGCSA-N 1 0 380.341 2.221 20 0 GEADRO C[C@@H]1C[NH+](CCCNc2ccc(I)cn2)C[C@@H](C)O1 ZINC000579533559 532741275 /nfs/dbraw/zinc/74/12/75/532741275.db2.gz BDQUUDBQJJTXCA-VXGBXAGGSA-N 1 0 375.254 2.597 20 0 GEADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000502834938 532741279 /nfs/dbraw/zinc/74/12/79/532741279.db2.gz ZLVTWNMIIPVGFD-CABZTGNLSA-N 1 0 390.228 2.170 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000502855303 532741958 /nfs/dbraw/zinc/74/19/58/532741958.db2.gz IQQYRZCBGZANGK-DGCLKSJQSA-N 1 0 379.309 2.271 20 0 GEADRO O=C(COc1ccc(I)cc1)NCC[N@H+]1CC=CCC1 ZINC000506765096 532754457 /nfs/dbraw/zinc/75/44/57/532754457.db2.gz CZPGNPQVKWBOCA-UHFFFAOYSA-N 1 0 386.233 2.048 20 0 GEADRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1 ZINC000268071969 532754741 /nfs/dbraw/zinc/75/47/41/532754741.db2.gz FFHZZYXIEBALNU-QGZVFWFLSA-N 1 0 384.567 2.478 20 0 GEADRO C[NH+](C)CCOCCNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000541534285 532755223 /nfs/dbraw/zinc/75/52/23/532755223.db2.gz VNKIXOUDUVCPHX-CYBMUJFWSA-N 1 0 388.295 2.041 20 0 GEADRO O=C(CC[NH2+][C@@H]1CCCN(CCCO)C1)Nc1cccc(Br)c1 ZINC000581370014 532755607 /nfs/dbraw/zinc/75/56/07/532755607.db2.gz FLKZXEBXZKIVKS-MRXNPFEDSA-N 1 0 384.318 2.214 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000618341978 532756665 /nfs/dbraw/zinc/75/66/65/532756665.db2.gz RHUROVGKRFKLSK-DOMZBBRYSA-N 1 0 375.296 2.454 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618661517 532757619 /nfs/dbraw/zinc/75/76/19/532757619.db2.gz RJLDCTSUWWKAEB-ZDUSSCGKSA-N 1 0 385.555 2.135 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2sccc2Br)C1 ZINC000581876024 532758294 /nfs/dbraw/zinc/75/82/94/532758294.db2.gz URAFEJUZWBTMOF-MNOVXSKESA-N 1 0 388.331 2.116 20 0 GEADRO CC(C)c1cc(N(C)[C@H](C)C[S@](C)=O)nc(N(C)[C@H](C)C[S@@](C)=O)[nH+]1 ZINC000618680497 532758600 /nfs/dbraw/zinc/75/86/00/532758600.db2.gz BKUOLEMTSMLCGA-LVFCDGGQSA-N 1 0 388.603 2.006 20 0 GEADRO O=C(COc1ccc2cc(Br)ccc2c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000581924845 532758668 /nfs/dbraw/zinc/75/86/68/532758668.db2.gz OGCVOAWNUHRIFZ-KRWDZBQOSA-N 1 0 393.281 2.476 20 0 GEADRO C[C@@H](O)CN1CCN(C(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC000286651062 532759604 /nfs/dbraw/zinc/75/96/04/532759604.db2.gz BYQVZOMGVRUMRQ-SECBINFHSA-N 1 0 379.657 2.380 20 0 GEADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(Br)ncc1Cl ZINC000286651214 532760073 /nfs/dbraw/zinc/76/00/73/532760073.db2.gz DQPUKRPCFFBNGC-GHMZBOCLSA-N 1 0 388.693 2.433 20 0 GEADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C[C@@H](C)C1 ZINC000582611837 532760067 /nfs/dbraw/zinc/76/00/67/532760067.db2.gz KPZFPDDXWIVWLM-OUCADQQQSA-N 1 0 382.302 2.281 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc(F)c1Br ZINC000411394818 532760897 /nfs/dbraw/zinc/76/08/97/532760897.db2.gz HFFKDGGAHAKWKL-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNc2ncnc3c2c(Br)nn3C)C[C@H](C)O1 ZINC000268328732 532761508 /nfs/dbraw/zinc/76/15/08/532761508.db2.gz PJEIGWQBNLNZHV-TXEJJXNPSA-N 1 0 397.321 2.427 20 0 GEADRO C[C@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000620237742 532761548 /nfs/dbraw/zinc/76/15/48/532761548.db2.gz IYJABYHWMVFGKL-CQSZACIVSA-N 1 0 384.929 2.494 20 0 GEADRO C[C@]([NH3+])(C(=O)NC[C@@H](CO)Cc1ccco1)c1ccc(Br)cc1 ZINC000582783861 532762248 /nfs/dbraw/zinc/76/22/48/532762248.db2.gz WIGJXSJAPUPPIU-YVEFUNNKSA-N 1 0 381.270 2.183 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620484661 532763096 /nfs/dbraw/zinc/76/30/96/532763096.db2.gz MNIHDHCCRWMDIX-DZGCQCFKSA-N 1 0 397.313 2.274 20 0 GEADRO O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)Nc1cccc(Br)c1 ZINC000540902919 532748290 /nfs/dbraw/zinc/74/82/90/532748290.db2.gz QMFFQPQCOUIPNI-LSDHHAIUSA-N 1 0 395.301 2.314 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504592048 532748438 /nfs/dbraw/zinc/74/84/38/532748438.db2.gz XRBKUIBNRVPUTG-DVOMOZLQSA-N 1 0 387.933 2.365 20 0 GEADRO CCC[NH+]1CCC(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000541170696 532748660 /nfs/dbraw/zinc/74/86/60/532748660.db2.gz TVJOSRJBCCULNQ-UHFFFAOYSA-N 1 0 396.285 2.384 20 0 GEADRO CC(C)S(=O)(=O)CCC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000286456540 532748732 /nfs/dbraw/zinc/74/87/32/532748732.db2.gz KEFLRVNIPNIPHZ-HNNXBMFYSA-N 1 0 378.332 2.460 20 0 GEADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000443737357 532749607 /nfs/dbraw/zinc/74/96/07/532749607.db2.gz NVKPRBNFAQTRRE-SECBINFHSA-N 1 0 388.212 2.019 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000286472539 532749904 /nfs/dbraw/zinc/74/99/04/532749904.db2.gz KXKZCHZAHRZSGN-SNVBAGLBSA-N 1 0 390.709 2.175 20 0 GEADRO O=C(CC[NH+]1CCC2(CNC(=O)C2)CC1)Nc1cccc(Br)c1 ZINC000267830792 532750334 /nfs/dbraw/zinc/75/03/34/532750334.db2.gz QXCKHLFQKHVINS-UHFFFAOYSA-N 1 0 380.286 2.380 20 0 GEADRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1Cl ZINC000411246635 532751866 /nfs/dbraw/zinc/75/18/66/532751866.db2.gz NWCCDXJHVPYTRJ-SNVBAGLBSA-N 1 0 388.693 2.417 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C(C)(C)C ZINC000541389226 532752318 /nfs/dbraw/zinc/75/23/18/532752318.db2.gz FYVMBATVZQQEQX-CQSZACIVSA-N 1 0 375.922 2.084 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c(C)c1F ZINC000445749921 532753090 /nfs/dbraw/zinc/75/30/90/532753090.db2.gz JCYPAKQIBLUUPY-UKRRQHHQSA-N 1 0 388.530 2.343 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)C[C@@H]1[NH+]1CCCC1 ZINC000445743925 532753182 /nfs/dbraw/zinc/75/31/82/532753182.db2.gz NUNCFAFOHKDZKA-NWDGAFQWSA-N 1 0 380.457 2.304 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)C[C@@H]1[NH+]1CCCC1 ZINC000445743927 532753207 /nfs/dbraw/zinc/75/32/07/532753207.db2.gz NUNCFAFOHKDZKA-RYUDHWBXSA-N 1 0 380.457 2.304 20 0 GEADRO O[C@@H](C[NH2+]CCOC(F)(F)F)COc1cc(F)cc(Br)c1 ZINC000581007159 532753467 /nfs/dbraw/zinc/75/34/67/532753467.db2.gz ILWAHLFIDSOUOS-JTQLQIEISA-N 1 0 376.144 2.454 20 0 GEADRO COCCN1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000581006824 532753604 /nfs/dbraw/zinc/75/36/04/532753604.db2.gz RTNIARMXQYIELK-KGLIPLIRSA-N 1 0 377.312 2.434 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000445745148 532753969 /nfs/dbraw/zinc/75/39/69/532753969.db2.gz RGJHFICOEMYKFF-UHFFFAOYSA-N 1 0 382.507 2.451 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CS1 ZINC000411779885 532774761 /nfs/dbraw/zinc/77/47/61/532774761.db2.gz DLMFNKUSENQDEP-ZFWWWQNUSA-N 1 0 379.551 2.184 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000269167080 532776911 /nfs/dbraw/zinc/77/69/11/532776911.db2.gz FSVBGHADQRBXEY-ZDUSSCGKSA-N 1 0 387.933 2.098 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000269176919 532776920 /nfs/dbraw/zinc/77/69/20/532776920.db2.gz FRDDGORKULMFJH-UHFFFAOYSA-N 1 0 387.933 2.181 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000512221081 532777073 /nfs/dbraw/zinc/77/70/73/532777073.db2.gz WFKPNENOHDEENS-ZFHGCVPZSA-N 1 0 391.339 2.477 20 0 GEADRO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000453819797 532777452 /nfs/dbraw/zinc/77/74/52/532777452.db2.gz NFSLRXDGZINQDZ-CYBMUJFWSA-N 1 0 388.295 2.203 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000512270495 532777528 /nfs/dbraw/zinc/77/75/28/532777528.db2.gz MMYCXHHAGRQXAM-SUMWQHHRSA-N 1 0 386.323 2.435 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000453828518 532777711 /nfs/dbraw/zinc/77/77/11/532777711.db2.gz YMQNLWDYXSRAHG-NSHDSACASA-N 1 0 392.258 2.034 20 0 GEADRO CC(C)(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000286982158 532777751 /nfs/dbraw/zinc/77/77/51/532777751.db2.gz CAUCDENNQRVKOL-CYBMUJFWSA-N 1 0 384.929 2.493 20 0 GEADRO O=C(NCc1nc2cc(Cl)ccc2s1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000269273888 532778039 /nfs/dbraw/zinc/77/80/39/532778039.db2.gz ZCYHEDWBQNQUPA-UHFFFAOYSA-N 1 0 376.873 2.396 20 0 GEADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cscc2Br)cc1 ZINC000312429379 532778322 /nfs/dbraw/zinc/77/83/22/532778322.db2.gz UFDPJPRWAREGOS-UHFFFAOYSA-N 1 0 375.313 2.490 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)CCCO1 ZINC000313335083 532778641 /nfs/dbraw/zinc/77/86/41/532778641.db2.gz GZBXBDCYTVWXTF-JTQLQIEISA-N 1 0 392.091 2.401 20 0 GEADRO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CN1C1CC1 ZINC000512879792 532779058 /nfs/dbraw/zinc/77/90/58/532779058.db2.gz JWXUHCCDGYVDTE-NWDGAFQWSA-N 1 0 392.352 2.487 20 0 GEADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000411914000 532779319 /nfs/dbraw/zinc/77/93/19/532779319.db2.gz JSIUSVUYRREHPJ-IAQYHMDHSA-N 1 0 389.279 2.244 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000542046508 532763763 /nfs/dbraw/zinc/76/37/63/532763763.db2.gz NKSMLFJHEPNKTD-CYBMUJFWSA-N 1 0 377.432 2.453 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCn2cc(Br)cn2)C1 ZINC000286706377 532763718 /nfs/dbraw/zinc/76/37/18/532763718.db2.gz FGFFRVXDAMZUIU-AWEZNQCLSA-N 1 0 386.338 2.313 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Br)cnc2Cl)CC1 ZINC000268460244 532764691 /nfs/dbraw/zinc/76/46/91/532764691.db2.gz KHKCFDMPHKQGDE-UHFFFAOYSA-N 1 0 390.709 2.463 20 0 GEADRO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+](C)C1 ZINC000411905434 532779643 /nfs/dbraw/zinc/77/96/43/532779643.db2.gz BKMGRUJYQNTQJL-NEPJUHHUSA-N 1 0 388.295 2.357 20 0 GEADRO OC[C@@H]([C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C1CC1)C1CC1 ZINC000451595951 532765422 /nfs/dbraw/zinc/76/54/22/532765422.db2.gz CGQVFBNLSKYIIX-DYVFJYSZSA-N 1 0 392.301 2.312 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)[C@@H]2C1 ZINC000451595428 532765627 /nfs/dbraw/zinc/76/56/27/532765627.db2.gz FEIHBYHNLJVRFC-YLFCFFPRSA-N 1 0 379.298 2.484 20 0 GEADRO O=C(Cc1cc[nH]c(=O)c1Br)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621109412 532765769 /nfs/dbraw/zinc/76/57/69/532765769.db2.gz VOQWEDBXNSFOOG-ZDUSSCGKSA-N 1 0 382.302 2.330 20 0 GEADRO CC(=O)NCC[N@H+](C)CCCOc1cccc(I)c1 ZINC000583750968 532766555 /nfs/dbraw/zinc/76/65/55/532766555.db2.gz VWZAMERJRQRNSJ-UHFFFAOYSA-N 1 0 376.238 2.128 20 0 GEADRO COC(=O)C[C@]1([NH2+]CCC(=O)Nc2cccc(Br)c2)CCOC1 ZINC000411548345 532766640 /nfs/dbraw/zinc/76/66/40/532766640.db2.gz WZGVAAXIFWKWHO-MRXNPFEDSA-N 1 0 385.258 2.090 20 0 GEADRO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000411905865 532779654 /nfs/dbraw/zinc/77/96/54/532779654.db2.gz BSBKHXNCDJUUFQ-NEPJUHHUSA-N 1 0 388.295 2.357 20 0 GEADRO C[C@H](NS(=O)(=O)CCCCF)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000286747274 532766835 /nfs/dbraw/zinc/76/68/35/532766835.db2.gz DBRYWBJCOTYDII-AWEZNQCLSA-N 1 0 375.485 2.308 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2ccc(OC)c(I)c2)CC1 ZINC000268604560 532768542 /nfs/dbraw/zinc/76/85/42/532768542.db2.gz KNFNXPYOXUTIRK-UHFFFAOYSA-N 1 0 388.249 2.468 20 0 GEADRO C[C@@H](C(=O)NC(C)(C)CCC[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000584524554 532768956 /nfs/dbraw/zinc/76/89/56/532768956.db2.gz PHTJEOQXUGBNEU-JTQLQIEISA-N 1 0 396.285 2.067 20 0 GEADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000509419074 532769786 /nfs/dbraw/zinc/76/97/86/532769786.db2.gz UONHNBUWXDTKSM-LBPRGKRZSA-N 1 0 383.286 2.390 20 0 GEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cn1 ZINC000302492148 532770001 /nfs/dbraw/zinc/77/00/01/532770001.db2.gz ZJKSRAKZRLFNAJ-KRWDZBQOSA-N 1 0 377.286 2.312 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000509462286 532770720 /nfs/dbraw/zinc/77/07/20/532770720.db2.gz HHSKQVFLDWSREC-JTQLQIEISA-N 1 0 395.308 2.352 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000509448663 532770943 /nfs/dbraw/zinc/77/09/43/532770943.db2.gz LLRSTYIICBAYGO-LSDHHAIUSA-N 1 0 398.345 2.311 20 0 GEADRO C[N@H+](C1CCN(CC(F)(F)F)CC1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000452035910 532771055 /nfs/dbraw/zinc/77/10/55/532771055.db2.gz YMKVCSJVBFWGJP-LBPRGKRZSA-N 1 0 375.357 2.498 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000268798053 532771291 /nfs/dbraw/zinc/77/12/91/532771291.db2.gz IIJVXARXSBYODE-CYBMUJFWSA-N 1 0 377.304 2.192 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000302692694 532772299 /nfs/dbraw/zinc/77/22/99/532772299.db2.gz VZYJMFGLWMQYJX-INIZCTEOSA-N 1 0 384.567 2.380 20 0 GEADRO C[C@H](CNC(=O)CCc1ccc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000588935511 532772658 /nfs/dbraw/zinc/77/26/58/532772658.db2.gz OKKWPTQRYUKWCY-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000588905833 532772699 /nfs/dbraw/zinc/77/26/99/532772699.db2.gz SOAQBLBTUSBLKI-CYBMUJFWSA-N 1 0 382.507 2.334 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(Br)cc1OCCCO ZINC000411748167 532774121 /nfs/dbraw/zinc/77/41/21/532774121.db2.gz ZSONJSCCVZOXTN-VXGBXAGGSA-N 1 0 394.331 2.294 20 0 GEADRO CC[C@H](C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC000456493202 532782648 /nfs/dbraw/zinc/78/26/48/532782648.db2.gz SRVWECFLNDAUSG-IAQYHMDHSA-N 1 0 375.282 2.196 20 0 GEADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000545204800 532783602 /nfs/dbraw/zinc/78/36/02/532783602.db2.gz GAEDADQWIBIHRR-HUUCEWRRSA-N 1 0 391.331 2.408 20 0 GEADRO CC(C)(CN1CCOCC1)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000412001268 532783686 /nfs/dbraw/zinc/78/36/86/532783686.db2.gz GOTRUGFQWRKSEP-UHFFFAOYSA-N 1 0 384.318 2.478 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000287186906 532785504 /nfs/dbraw/zinc/78/55/04/532785504.db2.gz LXJRLUGALYTUFA-QKVFXAPYSA-N 1 0 375.332 2.403 20 0 GEADRO CN(CC(=O)NCC[N@@H+]1CCCC1(C)C)C(=O)c1ccc(Br)o1 ZINC000457073295 532785683 /nfs/dbraw/zinc/78/56/83/532785683.db2.gz JRDCEPHWMCJNBM-UHFFFAOYSA-N 1 0 386.290 2.105 20 0 GEADRO CNc1cc(I)ccc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000412352983 532789244 /nfs/dbraw/zinc/78/92/44/532789244.db2.gz FNIGOIZSZYFKQG-JTQLQIEISA-N 1 0 375.254 2.260 20 0 GEADRO Cc1c(Cl)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)sc1S(N)(=O)=O ZINC000287266692 532789346 /nfs/dbraw/zinc/78/93/46/532789346.db2.gz SEDRYXVAJFXFHQ-QWRGUYRKSA-N 1 0 391.946 2.056 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000412379641 532790027 /nfs/dbraw/zinc/79/00/27/532790027.db2.gz OWBCXRMFCAPDHH-IINYFYTJSA-N 1 0 385.249 2.109 20 0 GEADRO O=C(NCc1cc(F)ccc1Br)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457926857 532791210 /nfs/dbraw/zinc/79/12/10/532791210.db2.gz PQZAYEKGDCSACF-AWEZNQCLSA-N 1 0 388.281 2.234 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000287313856 532791500 /nfs/dbraw/zinc/79/15/00/532791500.db2.gz FCBOEUILSFKEJH-UKRRQHHQSA-N 1 0 384.322 2.304 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cn1cc(Br)ccc1=O ZINC000458209365 532792048 /nfs/dbraw/zinc/79/20/48/532792048.db2.gz YVPWMNHLIQMCAL-UHFFFAOYSA-N 1 0 398.326 2.263 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000458209258 532792238 /nfs/dbraw/zinc/79/22/38/532792238.db2.gz XWIMBRGNGKNVEQ-UHFFFAOYSA-N 1 0 399.333 2.208 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412557478 532795080 /nfs/dbraw/zinc/79/50/80/532795080.db2.gz INPMNVBEGXNMDO-NSHDSACASA-N 1 0 385.486 2.254 20 0 GEADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000514245373 532780543 /nfs/dbraw/zinc/78/05/43/532780543.db2.gz WTICZJCYIWOSRM-NWDGAFQWSA-N 1 0 392.315 2.400 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(I)cn2)C1 ZINC000455988159 532780780 /nfs/dbraw/zinc/78/07/80/532780780.db2.gz LSPYMTSUXJPNHH-FZMZJTMJSA-N 1 0 385.249 2.243 20 0 GEADRO CC[N@H+](CC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000456489605 532781617 /nfs/dbraw/zinc/78/16/17/532781617.db2.gz PEHRCRQDGRFGML-GFCCVEGCSA-N 1 0 387.293 2.340 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC[NH+]2CCCCC2)c1 ZINC000413080328 532806362 /nfs/dbraw/zinc/80/63/62/532806362.db2.gz OKIMXSDLIHDALU-UHFFFAOYSA-N 1 0 387.933 2.419 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)NCCc2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413146805 532807392 /nfs/dbraw/zinc/80/73/92/532807392.db2.gz PIWGEROYAPMUKX-ZDUSSCGKSA-N 1 0 388.295 2.282 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccccc1Br ZINC000287724707 532808144 /nfs/dbraw/zinc/80/81/44/532808144.db2.gz CKJINRJRQXESOO-OLZOCXBDSA-N 1 0 380.286 2.473 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)c1cc(F)c(Cl)cc1Cl ZINC000555695672 532808961 /nfs/dbraw/zinc/80/89/61/532808961.db2.gz HNFHLTKICIQEBC-JTQLQIEISA-N 1 0 394.274 2.004 20 0 GEADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@H]1CCCCS1 ZINC000555693124 532809018 /nfs/dbraw/zinc/80/90/18/532809018.db2.gz WGIQAMRLDUPQCP-CABCVRRESA-N 1 0 381.567 2.403 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000413294960 532809278 /nfs/dbraw/zinc/80/92/78/532809278.db2.gz INYJOVMTZVWGTB-HNNXBMFYSA-N 1 0 387.933 2.417 20 0 GEADRO CC1CC[NH+](CCCNC(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000555737087 532809481 /nfs/dbraw/zinc/80/94/81/532809481.db2.gz SHHWLDWQYZCTNF-UHFFFAOYSA-N 1 0 396.329 2.304 20 0 GEADRO O=C(NCCn1cc(Br)ccc1=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000556357104 532810287 /nfs/dbraw/zinc/81/02/87/532810287.db2.gz FPWMUVKQSBNYFN-HNNXBMFYSA-N 1 0 382.302 2.134 20 0 GEADRO Cn1cnc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000459668843 532797156 /nfs/dbraw/zinc/79/71/56/532797156.db2.gz UKDUIRIJISNORX-UHFFFAOYSA-N 1 0 379.302 2.352 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CSc2ccccc21)c1cccs1 ZINC000550003046 532797365 /nfs/dbraw/zinc/79/73/65/532797365.db2.gz ZBQKPHXIJQAQED-KGLIPLIRSA-N 1 0 375.519 2.430 20 0 GEADRO CN(CC1CC1)S(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328810765 532797608 /nfs/dbraw/zinc/79/76/08/532797608.db2.gz FETKGHBIUJZPPO-CVEARBPZSA-N 1 0 375.897 2.401 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000550787671 532798584 /nfs/dbraw/zinc/79/85/84/532798584.db2.gz MIIPAQOMELEQED-UHFFFAOYSA-N 1 0 396.329 2.444 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CC(C)(C)OCCO)ccc1S(=O)(=O)C(F)F ZINC000287508908 532798593 /nfs/dbraw/zinc/79/85/93/532798593.db2.gz YZHOMKAFPMRPLW-LLVKDONJSA-N 1 0 381.441 2.130 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000550811470 532798638 /nfs/dbraw/zinc/79/86/38/532798638.db2.gz ZDXPUWUEZIDLHJ-LLVKDONJSA-N 1 0 378.420 2.177 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccccc1Br ZINC000550792625 532798853 /nfs/dbraw/zinc/79/88/53/532798853.db2.gz XCNYQEAUQQMGBT-UHFFFAOYSA-N 1 0 396.329 2.400 20 0 GEADRO COC(=O)[C@H](C)Sc1ccccc1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000270544566 532799467 /nfs/dbraw/zinc/79/94/67/532799467.db2.gz YJFWDIOYEVEWET-JGGQBBKZSA-N 1 0 382.551 2.458 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000551569519 532799916 /nfs/dbraw/zinc/79/99/16/532799916.db2.gz DLYQXJULCBVMDV-HNNXBMFYSA-N 1 0 388.327 2.356 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000287567837 532799988 /nfs/dbraw/zinc/79/99/88/532799988.db2.gz QLGBIMVUOHFXAP-GVXVVHGQSA-N 1 0 391.331 2.420 20 0 GEADRO COc1cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc(Br)c1O ZINC000551582028 532800607 /nfs/dbraw/zinc/80/06/07/532800607.db2.gz YCOZXSLJYHYXAZ-SMDDNHRTSA-N 1 0 376.291 2.411 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1csc(Br)c1)[N@H+](C)C1CC1 ZINC000287826422 532811170 /nfs/dbraw/zinc/81/11/70/532811170.db2.gz KODLTHPMRBSNRB-JTQLQIEISA-N 1 0 388.331 2.068 20 0 GEADRO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000462211879 532801486 /nfs/dbraw/zinc/80/14/86/532801486.db2.gz IQLILEVIHCNXBH-LBPRGKRZSA-N 1 0 378.464 2.472 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000270814457 532801639 /nfs/dbraw/zinc/80/16/39/532801639.db2.gz XINOSHYIAPIXRL-CQSZACIVSA-N 1 0 393.285 2.000 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000329144591 532802932 /nfs/dbraw/zinc/80/29/32/532802932.db2.gz WKSJFOSGNWCMRS-CYBMUJFWSA-N 1 0 385.921 2.234 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000552340026 532803818 /nfs/dbraw/zinc/80/38/18/532803818.db2.gz JFLXXGSZMXOEIE-CZUORRHYSA-N 1 0 387.933 2.461 20 0 GEADRO O=c1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)nc2ccccn12 ZINC000329250374 532804408 /nfs/dbraw/zinc/80/44/08/532804408.db2.gz XPZWZQVSOZIIFW-UHFFFAOYSA-N 1 0 388.269 2.491 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287891153 532812706 /nfs/dbraw/zinc/81/27/06/532812706.db2.gz NAIOITUTCXGLIK-UHFFFAOYSA-N 1 0 382.302 2.008 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)CCO2 ZINC000272101409 532812949 /nfs/dbraw/zinc/81/29/49/532812949.db2.gz VPQQNPYHFCXPDU-BLLLJJGKSA-N 1 0 379.400 2.253 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)CCO2 ZINC000272097709 532813197 /nfs/dbraw/zinc/81/31/97/532813197.db2.gz VAZATWFQKXIVRK-ZFWWWQNUSA-N 1 0 379.400 2.411 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000330163877 532815361 /nfs/dbraw/zinc/81/53/61/532815361.db2.gz SUSACXWSACBAGZ-BZNIZROVSA-N 1 0 375.897 2.228 20 0 GEADRO O=C(CCc1cc(Br)ccc1F)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413819126 532815411 /nfs/dbraw/zinc/81/54/11/532815411.db2.gz OQTODFPQHSRJSH-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccncc2Br)CC1 ZINC000272701889 532817501 /nfs/dbraw/zinc/81/75/01/532817501.db2.gz UTNYBBZAXGFODS-UHFFFAOYSA-N 1 0 384.322 2.383 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272489378 532816422 /nfs/dbraw/zinc/81/64/22/532816422.db2.gz VXGRDDQHVKKXOO-LRDDRELGSA-N 1 0 375.897 2.182 20 0 GEADRO CC(C)[C@H](CNC(=O)Nc1ccncc1Br)[NH+]1CCN(C)CC1 ZINC000272682060 532816692 /nfs/dbraw/zinc/81/66/92/532816692.db2.gz NVEDBNUHTJGANR-HNNXBMFYSA-N 1 0 384.322 2.238 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC(=O)NC1CCCCC1 ZINC000414071434 532818757 /nfs/dbraw/zinc/81/87/57/532818757.db2.gz LTKFHKMJASCJEZ-CYBMUJFWSA-N 1 0 384.318 2.428 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000414080406 532818943 /nfs/dbraw/zinc/81/89/43/532818943.db2.gz SZMCHUXRZGOYLK-ZIAGYGMSSA-N 1 0 392.297 2.294 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000288155156 532819136 /nfs/dbraw/zinc/81/91/36/532819136.db2.gz PQTVBSWVHHAJTJ-ZJUUUORDSA-N 1 0 376.404 2.186 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCSC1 ZINC000288176445 532819905 /nfs/dbraw/zinc/81/99/05/532819905.db2.gz ITWVLOYDTCUPFJ-OAHLLOKOSA-N 1 0 383.583 2.288 20 0 GEADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000414200732 532820452 /nfs/dbraw/zinc/82/04/52/532820452.db2.gz XQACZQWOSXWIHL-GMXABZIVSA-N 1 0 383.315 2.474 20 0 GEADRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414195302 532820460 /nfs/dbraw/zinc/82/04/60/532820460.db2.gz JDYIFVKOFGZSFN-QWRGUYRKSA-N 1 0 379.320 2.420 20 0 GEADRO OCC1(C[NH2+]Cc2ncc(Br)cc2Br)CCOCC1 ZINC000273188488 532820865 /nfs/dbraw/zinc/82/08/65/532820865.db2.gz ILGAVORSUSJRTQ-UHFFFAOYSA-N 1 0 394.107 2.485 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2Cc3ccccc3O2)cc1Br ZINC000414251456 532821203 /nfs/dbraw/zinc/82/12/03/532821203.db2.gz ABVZRJCAZCDVQP-CYBMUJFWSA-N 1 0 397.294 2.190 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CNC(=O)c2ccc(Br)s2)C[C@H]1C ZINC000330550347 532821324 /nfs/dbraw/zinc/82/13/24/532821324.db2.gz DQBUFDIHWPAWFT-GHMZBOCLSA-N 1 0 388.331 2.182 20 0 GEADRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414356283 532821710 /nfs/dbraw/zinc/82/17/10/532821710.db2.gz DNNVINFDBPTAFP-CHWSQXEVSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(F)c(Br)c1 ZINC000414354314 532821834 /nfs/dbraw/zinc/82/18/34/532821834.db2.gz USWLHHLBXRSEAH-JTQLQIEISA-N 1 0 384.253 2.410 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](CO)CC2CCCC2)cc1Br ZINC000414365652 532822088 /nfs/dbraw/zinc/82/20/88/532822088.db2.gz MRGKFTBGBKWLDP-CYBMUJFWSA-N 1 0 391.331 2.127 20 0 GEADRO C[C@@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCC[C@H]1O ZINC000414357498 532822250 /nfs/dbraw/zinc/82/22/50/532822250.db2.gz AAFLWJIRZWOBEG-CABCVRRESA-N 1 0 391.331 2.127 20 0 GEADRO COC1CCC(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000414364018 532822272 /nfs/dbraw/zinc/82/22/72/532822272.db2.gz LWSOCJNILHOCKI-UHFFFAOYSA-N 1 0 391.331 2.391 20 0 GEADRO CO[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000414359125 532822277 /nfs/dbraw/zinc/82/22/77/532822277.db2.gz DFIJZTDDIVPUJU-CYBMUJFWSA-N 1 0 379.320 2.247 20 0 GEADRO C[C@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCC[C@H]1O ZINC000414357500 532822294 /nfs/dbraw/zinc/82/22/94/532822294.db2.gz AAFLWJIRZWOBEG-HUUCEWRRSA-N 1 0 391.331 2.127 20 0 GEADRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000414363156 532822319 /nfs/dbraw/zinc/82/23/19/532822319.db2.gz GIHUYFRFOVNORC-GXTWGEPZSA-N 1 0 391.331 2.390 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000330607010 532822352 /nfs/dbraw/zinc/82/23/52/532822352.db2.gz LENZQVVNCPRADS-XQQFMLRXSA-N 1 0 382.302 2.118 20 0 GEADRO CCC(CC)(CCO)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414364589 532822443 /nfs/dbraw/zinc/82/24/43/532822443.db2.gz MSTMEEHDQDMDPJ-UHFFFAOYSA-N 1 0 393.347 2.375 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)C1 ZINC000330610870 532822583 /nfs/dbraw/zinc/82/25/83/532822583.db2.gz PEFUYUQOMYDDIM-JSGCOSHPSA-N 1 0 389.315 2.333 20 0 GEADRO C[C@H](CCNC(=O)c1nc2ccc(Br)cn2n1)[NH+]1CCCCC1 ZINC000414397901 532824357 /nfs/dbraw/zinc/82/43/57/532824357.db2.gz IRMCHPAOHWVTAO-GFCCVEGCSA-N 1 0 380.290 2.486 20 0 GEADRO C[C@@H](CNC(=O)c1nc2ccc(Br)cn2n1)[N@@H+]1CCCC[C@H]1C ZINC000414404460 532825129 /nfs/dbraw/zinc/82/51/29/532825129.db2.gz IEIQQKRUOZVJAO-NEPJUHHUSA-N 1 0 380.290 2.485 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(Br)cc2F)CC[N@H+](C)C1 ZINC000414417507 532825384 /nfs/dbraw/zinc/82/53/84/532825384.db2.gz YDXDKNONNRVXAW-SNVBAGLBSA-N 1 0 388.237 2.157 20 0 GEADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000288395257 532826316 /nfs/dbraw/zinc/82/63/16/532826316.db2.gz PZFNBTIGQPRUBI-LSDHHAIUSA-N 1 0 388.555 2.021 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000288426830 532827276 /nfs/dbraw/zinc/82/72/76/532827276.db2.gz RQEYUXDHQJPKMS-UHFFFAOYSA-N 1 0 391.534 2.090 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000330788607 532827339 /nfs/dbraw/zinc/82/73/39/532827339.db2.gz QXPCUHXURCFQSO-XQQFMLRXSA-N 1 0 382.302 2.118 20 0 GEADRO C[C@H]1[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)CC(=O)N1Cc1ccccc1 ZINC000414451161 532827613 /nfs/dbraw/zinc/82/76/13/532827613.db2.gz ZSQYPTUYBDDWDH-XJKSGUPXSA-N 1 0 378.519 2.431 20 0 GEADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000330849870 532827947 /nfs/dbraw/zinc/82/79/47/532827947.db2.gz NBILZPVVVBHLEA-JTQLQIEISA-N 1 0 377.304 2.003 20 0 GEADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288547386 532830772 /nfs/dbraw/zinc/83/07/72/532830772.db2.gz FSHADMXHVNOITK-CABZTGNLSA-N 1 0 378.885 2.370 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc(OC)c2)C1 ZINC000330878599 532828696 /nfs/dbraw/zinc/82/86/96/532828696.db2.gz XHOUYPUJCZRPNO-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Br)cn1 ZINC000330883132 532828715 /nfs/dbraw/zinc/82/87/15/532828715.db2.gz DAXVKADVVVUJIJ-LBPRGKRZSA-N 1 0 376.320 2.387 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330897891 532829374 /nfs/dbraw/zinc/82/93/74/532829374.db2.gz HYJYGZAIZXTFAA-TYNCELHUSA-N 1 0 382.302 2.166 20 0 GEADRO OC[C@@H]([NH2+]Cc1ncc(Br)cc1Br)[C@H]1CCCOC1 ZINC000414552596 532831413 /nfs/dbraw/zinc/83/14/13/532831413.db2.gz KMLQMNLMLDMABA-TVQRCGJNSA-N 1 0 394.107 2.484 20 0 GEADRO C[C@H](NC(=O)Nc1ccncc1I)C1=CC[N@H+](C)CC1 ZINC000273687492 532831142 /nfs/dbraw/zinc/83/11/42/532831142.db2.gz GQUJCUWWRGVFSK-JTQLQIEISA-N 1 0 386.237 2.458 20 0 GEADRO O=C(Nc1ccccc1I)N[C@@H]1C[NH2+]CCC1(F)F ZINC000414654280 532834292 /nfs/dbraw/zinc/83/42/92/532834292.db2.gz BUBYPSIGZIBYRI-SNVBAGLBSA-N 1 0 381.164 2.410 20 0 GEADRO CS[C@@H]1CN(C(=O)Nc2ccccc2SCCC(N)=O)C[C@H]1[NH+](C)C ZINC000273791590 532834440 /nfs/dbraw/zinc/83/44/40/532834440.db2.gz YPCKPRWOTTYZBY-UKRRQHHQSA-N 1 0 382.555 2.163 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2ccccc2SCCC(N)=O)C[C@H]1[NH+](C)C ZINC000273791588 532834835 /nfs/dbraw/zinc/83/48/35/532834835.db2.gz YPCKPRWOTTYZBY-HIFRSBDPSA-N 1 0 382.555 2.163 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000288610413 532833004 /nfs/dbraw/zinc/83/30/04/532833004.db2.gz PCFSETUYKFIULS-ZDUSSCGKSA-N 1 0 385.251 2.457 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000331199629 532835724 /nfs/dbraw/zinc/83/57/24/532835724.db2.gz ZYCZTRRIMGJVEP-NEPJUHHUSA-N 1 0 398.301 2.385 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414928028 532836029 /nfs/dbraw/zinc/83/60/29/532836029.db2.gz MYLWSZPKZNPKRR-GFCCVEGCSA-N 1 0 383.290 2.098 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414922675 532836157 /nfs/dbraw/zinc/83/61/57/532836157.db2.gz DDHGFOIVXBUXFP-CYBMUJFWSA-N 1 0 383.290 2.241 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccncc3I)[C@H]2C1 ZINC000273904136 532836565 /nfs/dbraw/zinc/83/65/65/532836565.db2.gz STFHEQHMDBUSLI-GWCFXTLKSA-N 1 0 386.237 2.244 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)N(CC[NH3+])CCO ZINC000414780433 532835096 /nfs/dbraw/zinc/83/50/96/532835096.db2.gz TXFPHIHPVHZIAU-UHFFFAOYSA-N 1 0 380.670 2.286 20 0 GEADRO C[C@H]1SCCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@@H]1C ZINC000414870677 532835512 /nfs/dbraw/zinc/83/55/12/532835512.db2.gz COFIGRKVEMEXNU-NXEZZACHSA-N 1 0 375.416 2.455 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000414972255 532836745 /nfs/dbraw/zinc/83/67/45/532836745.db2.gz JPMPMNUWLBTNLQ-SNVBAGLBSA-N 1 0 395.223 2.493 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)nc1C ZINC000288733000 532836790 /nfs/dbraw/zinc/83/67/90/532836790.db2.gz GLCVWQBOSWOOEG-NSHDSACASA-N 1 0 385.306 2.328 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Br)ncc1F ZINC000273921845 532836958 /nfs/dbraw/zinc/83/69/58/532836958.db2.gz ZOXQZJUHCPIGHS-SNVBAGLBSA-N 1 0 394.310 2.305 20 0 GEADRO CCOc1c(Br)cc(CN(C)C[C@H](O)C[NH3+])cc1Br ZINC000415048591 532837452 /nfs/dbraw/zinc/83/74/52/532837452.db2.gz CMKRUUNTYGMDDA-SNVBAGLBSA-N 1 0 396.123 2.362 20 0 GEADRO COc1ccc(I)c(NC(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000415067603 532837506 /nfs/dbraw/zinc/83/75/06/532837506.db2.gz CFOKJTRIGZLSKL-VIFPVBQESA-N 1 0 375.210 2.112 20 0 GEADRO CCOCCOc1ccc(Br)cc1CN1CCCO[C@H](C[NH3+])C1 ZINC000415104394 532838008 /nfs/dbraw/zinc/83/80/08/532838008.db2.gz DSXKSVXLXQGCBU-MRXNPFEDSA-N 1 0 387.318 2.414 20 0 GEADRO COc1ccc(Br)c(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415124215 532838057 /nfs/dbraw/zinc/83/80/57/532838057.db2.gz JZBVMNPSFNQDNF-CQSZACIVSA-N 1 0 380.290 2.345 20 0 GEADRO CN(CC[NH3+])C(=O)Nc1cc(I)ccc1Br ZINC000415115614 532838091 /nfs/dbraw/zinc/83/80/91/532838091.db2.gz DZEILGGYXNWVRT-UHFFFAOYSA-N 1 0 398.042 2.476 20 0 GEADRO O=C1N[C@@H]2CN(Cc3ccc(Br)s3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415138747 532838474 /nfs/dbraw/zinc/83/84/74/532838474.db2.gz KNRIPLHMZUDBJP-KGLIPLIRSA-N 1 0 399.358 2.231 20 0 GEADRO O=C(Nc1cc(Br)cnc1OCC(F)(F)F)N[C@@H]1CC[NH2+]C1 ZINC000415178992 532838556 /nfs/dbraw/zinc/83/85/56/532838556.db2.gz TVQLCSYNBNBWOP-MRVPVSSYSA-N 1 0 383.168 2.269 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCn1cc(Br)cn1 ZINC000288805093 532838622 /nfs/dbraw/zinc/83/86/22/532838622.db2.gz JLKWEWIIIIBRNS-UKRRQHHQSA-N 1 0 384.322 2.304 20 0 GEADRO Ic1cncc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000273985699 532838698 /nfs/dbraw/zinc/83/86/98/532838698.db2.gz MMZOFIYICQKYEX-VXGBXAGGSA-N 1 0 398.204 2.272 20 0 GEADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000415161218 532838737 /nfs/dbraw/zinc/83/87/37/532838737.db2.gz MAADJUOMXAAROB-CQSZACIVSA-N 1 0 376.507 2.118 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000331420503 532839326 /nfs/dbraw/zinc/83/93/26/532839326.db2.gz ATZGKYUANUZYAL-MEBBXXQBSA-N 1 0 389.315 2.219 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000331416862 532839470 /nfs/dbraw/zinc/83/94/70/532839470.db2.gz AFUXNIXVGJRSAT-GWCFXTLKSA-N 1 0 389.315 2.219 20 0 GEADRO C[NH+](C)CCCN(C(=O)[C@H]1CCCc2sccc21)[C@H]1CCS(=O)(=O)C1 ZINC000331427445 532839491 /nfs/dbraw/zinc/83/94/91/532839491.db2.gz IKQXQNNXRJGASZ-HOCLYGCPSA-N 1 0 384.567 2.135 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cc(F)c(F)cc1I ZINC000415235382 532839572 /nfs/dbraw/zinc/83/95/72/532839572.db2.gz CORFJHOQXQWHNW-SSDOTTSWSA-N 1 0 381.164 2.443 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331456482 532840120 /nfs/dbraw/zinc/84/01/20/532840120.db2.gz UJUFQSQTJDGRAU-INIZCTEOSA-N 1 0 384.249 2.129 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2C)C1 ZINC000415279643 532840514 /nfs/dbraw/zinc/84/05/14/532840514.db2.gz HVIOHWVGRQNFBW-NSHDSACASA-N 1 0 386.265 2.293 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415281713 532840574 /nfs/dbraw/zinc/84/05/74/532840574.db2.gz LKUJNVMTPFOQGC-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415300023 532840899 /nfs/dbraw/zinc/84/08/99/532840899.db2.gz NSQGSMKAZQQLRZ-SECBINFHSA-N 1 0 377.844 2.456 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000415294918 532840882 /nfs/dbraw/zinc/84/08/82/532840882.db2.gz GMVCBXOLLGCYKA-SECBINFHSA-N 1 0 394.191 2.227 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000415299402 532840965 /nfs/dbraw/zinc/84/09/65/532840965.db2.gz MQLQINAEVQNGPU-SNVBAGLBSA-N 1 0 394.191 2.227 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC000415292031 532840980 /nfs/dbraw/zinc/84/09/80/532840980.db2.gz AVCYNCVNVAQDBC-SNVBAGLBSA-N 1 0 379.766 2.040 20 0 GEADRO O=C(Nc1cc(C(F)(F)F)ccc1Br)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415306549 532841061 /nfs/dbraw/zinc/84/10/61/532841061.db2.gz UTSXNWTUNHRJJX-VIFPVBQESA-N 1 0 394.191 2.275 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000331542911 532841124 /nfs/dbraw/zinc/84/11/24/532841124.db2.gz QRTKGPQTIKBZGM-QMTHXVAHSA-N 1 0 389.315 2.219 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415307871 532841105 /nfs/dbraw/zinc/84/11/05/532841105.db2.gz WOQYFXDFAPZOAB-LBPRGKRZSA-N 1 0 384.274 2.043 20 0 GEADRO CS[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000331557809 532841183 /nfs/dbraw/zinc/84/11/83/532841183.db2.gz ODEFDYBDXGPPKR-HUUCEWRRSA-N 1 0 385.892 2.456 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1Cl)C(=O)N1CCC[NH2+]CC1 ZINC000415321810 532841335 /nfs/dbraw/zinc/84/13/35/532841335.db2.gz RMGACCLTRGLJPK-UHFFFAOYSA-N 1 0 378.629 2.002 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCn3cc(Br)cn3)CC[C@@H]21 ZINC000288909491 532841715 /nfs/dbraw/zinc/84/17/15/532841715.db2.gz VQBWMUSBTGUULM-HIFRSBDPSA-N 1 0 384.322 2.161 20 0 GEADRO CCOC(=O)c1c(NC(=O)N2CCO[C@H](C[NH3+])C2)sc2c1CCCS2 ZINC000415340035 532841797 /nfs/dbraw/zinc/84/17/97/532841797.db2.gz ZJJJARUZGZJPCV-SNVBAGLBSA-N 1 0 385.511 2.155 20 0 GEADRO CCOC(=O)c1c(NC(=O)NCC[NH2+]CCOC)sc2c1CCSC2 ZINC000415334190 532841860 /nfs/dbraw/zinc/84/18/60/532841860.db2.gz JYHAYSNQSFBBDJ-UHFFFAOYSA-N 1 0 387.527 2.072 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415336067 532841922 /nfs/dbraw/zinc/84/19/22/532841922.db2.gz RSGJSTVRSZIXIC-VIFPVBQESA-N 1 0 379.766 2.293 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415327399 532841950 /nfs/dbraw/zinc/84/19/50/532841950.db2.gz IMXLIPYYCQQXCE-WDEREUQCSA-N 1 0 382.258 2.309 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415333853 532842045 /nfs/dbraw/zinc/84/20/45/532842045.db2.gz PISWIWZYXSIYBG-SNVBAGLBSA-N 1 0 375.803 2.038 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000415342491 532842091 /nfs/dbraw/zinc/84/20/91/532842091.db2.gz JKFGCJOBHIEJFF-SECBINFHSA-N 1 0 379.766 2.040 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415354658 532842739 /nfs/dbraw/zinc/84/27/39/532842739.db2.gz CIXWCYSMFCXQMO-JTQLQIEISA-N 1 0 384.267 2.030 20 0 GEADRO COC(=O)Cc1csc(N(C)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)n1 ZINC000331697915 532842831 /nfs/dbraw/zinc/84/28/31/532842831.db2.gz ZNOLHZJWGGLBDO-AWEZNQCLSA-N 1 0 383.539 2.039 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CN(C)Cc2nc([C@H](C)OC)no2)[C@@H]1c1cnn(C)c1 ZINC000328632216 206236367 /nfs/dbraw/zinc/23/63/67/206236367.db2.gz LEDQRVDWJIZOEY-RLFYNMQTSA-N 1 0 376.505 2.416 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415374036 532843081 /nfs/dbraw/zinc/84/30/81/532843081.db2.gz IKHAAMXPMNKKAD-ZETCQYMHSA-N 1 0 378.629 2.048 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415377314 532843112 /nfs/dbraw/zinc/84/31/12/532843112.db2.gz LUXIQADRLGIYDQ-LBPRGKRZSA-N 1 0 384.274 2.043 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415378208 532843177 /nfs/dbraw/zinc/84/31/77/532843177.db2.gz CBQLMWGPCTYJNL-LLVKDONJSA-N 1 0 398.301 2.290 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415374470 532843211 /nfs/dbraw/zinc/84/32/11/532843211.db2.gz IVWYGWPJZLXRNZ-VIFPVBQESA-N 1 0 394.191 2.275 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415385826 532843326 /nfs/dbraw/zinc/84/33/26/532843326.db2.gz ONMIHBJSNVSCLK-JTQLQIEISA-N 1 0 386.265 2.421 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C)c1F)[C@@H]1CC[NH2+]C1 ZINC000415386175 532843380 /nfs/dbraw/zinc/84/33/80/532843380.db2.gz BLGCHRONEAWMII-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2nc(-c3cccc(OC)c3)no2)C1 ZINC000359927661 206270568 /nfs/dbraw/zinc/27/05/68/206270568.db2.gz MNSUAZNVZQNXJZ-GOEBONIOSA-N 1 0 388.468 2.108 20 0 GEADRO COC(=O)CCc1ccc(NC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000359928295 206270589 /nfs/dbraw/zinc/27/05/89/206270589.db2.gz PXAGCNKSECZCIV-PKOBYXMFSA-N 1 0 389.496 2.415 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[C@H]1CC[NH2+]C1 ZINC000415389610 532843614 /nfs/dbraw/zinc/84/36/14/532843614.db2.gz GJNZDLOWJRZXQQ-AWEZNQCLSA-N 1 0 394.313 2.477 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000359998971 206278191 /nfs/dbraw/zinc/27/81/91/206278191.db2.gz MTEJYCWXVZQZRD-UHFFFAOYSA-N 1 0 377.428 2.481 20 0 GEADRO NC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000359999583 206279352 /nfs/dbraw/zinc/27/93/52/206279352.db2.gz OMXZIRIJCUZWHC-HSALFYBXSA-N 1 0 384.524 2.194 20 0 GEADRO COC[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000288986676 532843716 /nfs/dbraw/zinc/84/37/16/532843716.db2.gz ZQBXTXNFEWVZAA-QGZVFWFLSA-N 1 0 384.885 2.344 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1Br ZINC000415392340 532843856 /nfs/dbraw/zinc/84/38/56/532843856.db2.gz XSDIFXNUBDLHJY-NSHDSACASA-N 1 0 398.301 2.372 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)c1Br ZINC000415392563 532843894 /nfs/dbraw/zinc/84/38/94/532843894.db2.gz JPOJYPFTZUXOSA-JTQLQIEISA-N 1 0 388.693 2.465 20 0 GEADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1=O ZINC000331739649 532843956 /nfs/dbraw/zinc/84/39/56/532843956.db2.gz FEKGRIZNYQBDPB-VHSXEESVSA-N 1 0 376.404 2.282 20 0 GEADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1Br ZINC000415399142 532844151 /nfs/dbraw/zinc/84/41/51/532844151.db2.gz DBRNLGNHISFRHW-WDEREUQCSA-N 1 0 382.258 2.309 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415403848 532844500 /nfs/dbraw/zinc/84/45/00/532844500.db2.gz AJOCTAYQCLHROX-ZETCQYMHSA-N 1 0 380.645 2.152 20 0 GEADRO Cn1cncc1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000289013254 532844533 /nfs/dbraw/zinc/84/45/33/532844533.db2.gz AFMUIFMGFPOBSY-ZDUSSCGKSA-N 1 0 392.301 2.471 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415409477 532844534 /nfs/dbraw/zinc/84/45/34/532844534.db2.gz ILHCPFDIFMRDMW-MRVPVSSYSA-N 1 0 396.207 2.378 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415426214 532844752 /nfs/dbraw/zinc/84/47/52/532844752.db2.gz AHQWGULFMCGCKZ-BDAKNGLRSA-N 1 0 390.228 2.252 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1)C1CCCCC1 ZINC000415429120 532844783 /nfs/dbraw/zinc/84/47/83/532844783.db2.gz QZQIXHWMYAWPKH-LLVKDONJSA-N 1 0 378.420 2.210 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1Br ZINC000415426749 532844814 /nfs/dbraw/zinc/84/48/14/532844814.db2.gz AVVDUHQGSMXNBG-QWRGUYRKSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C[C@H]1C[NH3+] ZINC000415427734 532844942 /nfs/dbraw/zinc/84/49/42/532844942.db2.gz GIHNHWNJSUMXSI-GHMZBOCLSA-N 1 0 375.441 2.476 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)CC[NH2+]1 ZINC000415427332 532845087 /nfs/dbraw/zinc/84/50/87/532845087.db2.gz FPAPQMVWJYOPIY-QMMMGPOBSA-N 1 0 394.191 2.227 20 0 GEADRO O=C(NC1CC[NH2+]CC1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000331825247 532845083 /nfs/dbraw/zinc/84/50/83/532845083.db2.gz IUWNXCBDOQDGML-HNNXBMFYSA-N 1 0 386.265 2.423 20 0 GEADRO Cc1cc(N2CCC[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)ccc1Br ZINC000274232491 532845441 /nfs/dbraw/zinc/84/54/41/532845441.db2.gz QXRMRMQMRNNLIN-INIZCTEOSA-N 1 0 394.313 2.450 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415436723 532845496 /nfs/dbraw/zinc/84/54/96/532845496.db2.gz YPDQZRLXNODWIE-CYBMUJFWSA-N 1 0 393.285 2.425 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000415445895 532845752 /nfs/dbraw/zinc/84/57/52/532845752.db2.gz IGFCZVOTTHPNLF-RDDDGLTNSA-N 1 0 392.656 2.376 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)C1CC1 ZINC000415443974 532846105 /nfs/dbraw/zinc/84/61/05/532846105.db2.gz CXCCTVPJDUQKJD-NSHDSACASA-N 1 0 378.629 2.034 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415481857 532846950 /nfs/dbraw/zinc/84/69/50/532846950.db2.gz DWIOYHZJFCNVNK-LLVKDONJSA-N 1 0 392.244 2.498 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415489940 532847380 /nfs/dbraw/zinc/84/73/80/532847380.db2.gz VASMUHNWLJLVEH-GHMZBOCLSA-N 1 0 379.262 2.231 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000415494164 532847480 /nfs/dbraw/zinc/84/74/80/532847480.db2.gz DWSMIKRZJMREAP-AWEZNQCLSA-N 1 0 386.290 2.228 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000415492147 532847539 /nfs/dbraw/zinc/84/75/39/532847539.db2.gz KYXFWCBWPTWDET-ZDUSSCGKSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415493774 532847236 /nfs/dbraw/zinc/84/72/36/532847236.db2.gz YWYNGLLBKUTLRE-ZYHUDNBSSA-N 1 0 379.262 2.149 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C[C@H]1[NH3+] ZINC000415501311 532848048 /nfs/dbraw/zinc/84/80/48/532848048.db2.gz ODXBDMJNUJFRET-LDYMZIIASA-N 1 0 382.287 2.779 20 0 GEADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)c1cccs1 ZINC000274300810 532847724 /nfs/dbraw/zinc/84/77/24/532847724.db2.gz SFLDPKFNHMPSAS-ZDUSSCGKSA-N 1 0 381.523 2.330 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000415502703 532847728 /nfs/dbraw/zinc/84/77/28/532847728.db2.gz NLSSKIHCTGDTSK-UHFFFAOYSA-N 1 0 398.301 2.052 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415499423 532847783 /nfs/dbraw/zinc/84/77/83/532847783.db2.gz ORVIOVPIIQUSCH-CQSZACIVSA-N 1 0 399.333 2.083 20 0 GEADRO [NH3+][C@@H](CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1)C1CC1 ZINC000415502831 532847906 /nfs/dbraw/zinc/84/79/06/532847906.db2.gz QTCVMNVQQGTKIH-NSHDSACASA-N 1 0 382.287 2.826 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000415508113 532848232 /nfs/dbraw/zinc/84/82/32/532848232.db2.gz UMCFDQFVVFPTTO-UHFFFAOYSA-N 1 0 392.258 2.427 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415505881 532848290 /nfs/dbraw/zinc/84/82/90/532848290.db2.gz QYNSAFSQBAMLCM-GFCCVEGCSA-N 1 0 392.244 2.498 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)cc(OC)c1)C1CC[NH2+]CC1 ZINC000415507884 532848435 /nfs/dbraw/zinc/84/84/35/532848435.db2.gz OYPWNOOFZUMPQF-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000415510174 532848441 /nfs/dbraw/zinc/84/84/41/532848441.db2.gz YHTASRVUTHLPJR-UHFFFAOYSA-N 1 0 392.258 2.427 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cccc2ccsc21)[C@H]1CCS(=O)(=O)C1 ZINC000274336632 532848223 /nfs/dbraw/zinc/84/82/23/532848223.db2.gz CACZKOHYMNOENW-HNNXBMFYSA-N 1 0 380.535 2.482 20 0 GEADRO CCCc1nc(C)c(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000415527219 532848912 /nfs/dbraw/zinc/84/89/12/532848912.db2.gz KIBLOCJBNGCEAX-LLVKDONJSA-N 1 0 379.452 2.362 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000415531469 532848787 /nfs/dbraw/zinc/84/87/87/532848787.db2.gz VBQAETSQFUIPTC-NEPJUHHUSA-N 1 0 398.301 2.371 20 0 GEADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415529687 532848792 /nfs/dbraw/zinc/84/87/92/532848792.db2.gz XHTXPJDHHYUCEQ-JTQLQIEISA-N 1 0 376.404 2.091 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415546962 532849204 /nfs/dbraw/zinc/84/92/04/532849204.db2.gz DQHGUZFNLXITGW-UHFFFAOYSA-N 1 0 383.073 2.372 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415539156 532849554 /nfs/dbraw/zinc/84/95/54/532849554.db2.gz JMBDVSLXEPJEKE-PBWFPOADSA-N 1 0 380.286 2.437 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415534704 532849343 /nfs/dbraw/zinc/84/93/43/532849343.db2.gz YIPRYXMJYBCVPX-GHMZBOCLSA-N 1 0 391.269 2.132 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC000415542834 532849349 /nfs/dbraw/zinc/84/93/49/532849349.db2.gz VXZRQWLIQAENQH-LLVKDONJSA-N 1 0 394.191 2.260 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000415547509 532849359 /nfs/dbraw/zinc/84/93/59/532849359.db2.gz GFIFEIZMHDWROL-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)[C@H](C)C[NH2+]1 ZINC000415553570 532849937 /nfs/dbraw/zinc/84/99/37/532849937.db2.gz GNKQQLZPKVRQIX-GHMZBOCLSA-N 1 0 391.269 2.145 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415550174 532849954 /nfs/dbraw/zinc/84/99/54/532849954.db2.gz ILFOXEQAKAZQER-SSDOTTSWSA-N 1 0 382.180 2.260 20 0 GEADRO CCOc1cc(C[NH2+]CCN(CC)CCO)cc(Br)c1OC ZINC000274424613 532850218 /nfs/dbraw/zinc/85/02/18/532850218.db2.gz QZNGDATWWIKVCD-UHFFFAOYSA-N 1 0 375.307 2.260 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000415567570 532850264 /nfs/dbraw/zinc/85/02/64/532850264.db2.gz JXNPDIAVMQWEQD-NEPJUHHUSA-N 1 0 398.301 2.371 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1Br ZINC000274446867 532850403 /nfs/dbraw/zinc/85/04/03/532850403.db2.gz ULRXFZITZUJEMK-SMDDNHRTSA-N 1 0 380.286 2.295 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000332258879 532850995 /nfs/dbraw/zinc/85/09/95/532850995.db2.gz NLESNNHQGNJPMA-AWEZNQCLSA-N 1 0 392.290 2.105 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H](C)[NH2+]C[C@H]3C)nc12 ZINC000332256031 532851107 /nfs/dbraw/zinc/85/11/07/532851107.db2.gz CRXPYMLUHQMEKT-NWDGAFQWSA-N 1 0 380.290 2.297 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(Br)c(F)c(C(=O)OC)c2)C1 ZINC000415615156 532851145 /nfs/dbraw/zinc/85/11/45/532851145.db2.gz QIOHEXRTHDMOGN-SECBINFHSA-N 1 0 388.237 2.448 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415636638 532851595 /nfs/dbraw/zinc/85/15/95/532851595.db2.gz GNNMHUBTGLYSNH-YUMQZZPRSA-N 1 0 376.201 2.052 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415635083 532851825 /nfs/dbraw/zinc/85/18/25/532851825.db2.gz AZJLBJHVVQXUAG-NWDGAFQWSA-N 1 0 384.274 2.091 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Br ZINC000332296761 532851911 /nfs/dbraw/zinc/85/19/11/532851911.db2.gz KJCUYONMNCYBOT-CHWSQXEVSA-N 1 0 380.286 2.072 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(F)cc(Br)c3)CC2)C1=O ZINC000332346373 532852094 /nfs/dbraw/zinc/85/20/94/532852094.db2.gz XETDGSKKQNOTMS-OAHLLOKOSA-N 1 0 398.276 2.013 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415653831 532852142 /nfs/dbraw/zinc/85/21/42/532852142.db2.gz RYPXGMHOFYAZLI-VHSXEESVSA-N 1 0 381.889 2.127 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415661067 532852592 /nfs/dbraw/zinc/85/25/92/532852592.db2.gz WYNWBJDTTIYSNF-VXGBXAGGSA-N 1 0 384.274 2.172 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415665109 532852658 /nfs/dbraw/zinc/85/26/58/532852658.db2.gz ZVAHJTNXMHDBCY-RYUDHWBXSA-N 1 0 384.274 2.172 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415660474 532852750 /nfs/dbraw/zinc/85/27/50/532852750.db2.gz WQQUNQOZXUCKHY-MNOVXSKESA-N 1 0 381.274 2.046 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)CC[N@@H+]1C ZINC000332365257 532853313 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C[C@H](C[NH3+])N(C)C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415716432 532854503 /nfs/dbraw/zinc/85/45/03/532854503.db2.gz ZBMKCRHHLWAOTB-MRVPVSSYSA-N 1 0 375.376 2.915 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415723390 532854563 /nfs/dbraw/zinc/85/45/63/532854563.db2.gz LKPZVQAUOYXTEP-KWQFWETISA-N 1 0 386.246 2.198 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1Br ZINC000415709022 532854642 /nfs/dbraw/zinc/85/46/42/532854642.db2.gz OQTBALGXCYYRQS-JQWIXIFHSA-N 1 0 383.290 2.448 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332382053 532854337 /nfs/dbraw/zinc/85/43/37/532854337.db2.gz VJACEPMHXLDNOY-DMDPSCGWSA-N 1 0 398.276 2.421 20 0 GEADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415739507 532855034 /nfs/dbraw/zinc/85/50/34/532855034.db2.gz GDRRDNHTXGZOJQ-NXEZZACHSA-N 1 0 375.778 2.365 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415731418 532855078 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2.365 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415761324 532855966 /nfs/dbraw/zinc/85/59/66/532855966.db2.gz GPJZHDSUCMJHCV-JSGCOSHPSA-N 1 0 380.286 2.160 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415751478 532855995 /nfs/dbraw/zinc/85/59/95/532855995.db2.gz AFYUHTUQFRYQHV-OKILXGFUSA-N 1 0 394.313 2.408 20 0 GEADRO COC(=O)CC1([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCOCC1 ZINC000274811535 532856797 /nfs/dbraw/zinc/85/67/97/532856797.db2.gz HYUJMCKBZYEYLW-AWEZNQCLSA-N 1 0 390.249 2.324 20 0 GEADRO CN(C(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1)C1CC([NH3+])C1 ZINC000415787948 532857233 /nfs/dbraw/zinc/85/72/33/532857233.db2.gz KQTHBTKUMXEDNL-UHFFFAOYSA-N 1 0 382.251 2.066 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CCO1 ZINC000274824657 532857351 /nfs/dbraw/zinc/85/73/51/532857351.db2.gz TUYMXFUVXQIOFF-NSHDSACASA-N 1 0 386.235 2.360 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)C(F)F ZINC000415795294 532857710 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CCOc1ccc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)cc1Br ZINC000415802040 532857644 /nfs/dbraw/zinc/85/76/44/532857644.db2.gz HGGWVHCVLFGGAB-GFCCVEGCSA-N 1 0 398.301 2.435 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415798251 532857685 /nfs/dbraw/zinc/85/76/85/532857685.db2.gz AINJDLKVJMTAIN-NSHDSACASA-N 1 0 386.265 2.484 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)cc1Br ZINC000415806962 532858215 /nfs/dbraw/zinc/85/82/15/532858215.db2.gz QAKOWLOTHPQIBC-LLVKDONJSA-N 1 0 384.274 2.045 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415806278 532858219 /nfs/dbraw/zinc/85/82/19/532858219.db2.gz JYRRSRAJWWXXDL-YPMHNXCESA-N 1 0 398.301 2.420 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cncc(Br)c1)[N@@H+]1CCCC[C@H]1C ZINC000332619778 532858325 /nfs/dbraw/zinc/85/83/25/532858325.db2.gz RXRCCUDZPMTOJL-VXGBXAGGSA-N 1 0 383.290 2.162 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415803691 532858339 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/nfs/dbraw/zinc/86/06/26/532860626.db2.gz OSAXAKHLDJLQGM-GXSJLCMTSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415853337 532860766 /nfs/dbraw/zinc/86/07/66/532860766.db2.gz TWSYBCDRDGJNAA-GXFFZTMASA-N 1 0 382.302 2.448 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C[C@H]1C[NH3+] ZINC000415847073 532860354 /nfs/dbraw/zinc/86/03/54/532860354.db2.gz KUJYOEUXCSAKMM-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000415846876 532860368 /nfs/dbraw/zinc/86/03/68/532860368.db2.gz KODHWWNIHXNBRK-ZJUUUORDSA-N 1 0 388.693 2.484 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415865906 532860964 /nfs/dbraw/zinc/86/09/64/532860964.db2.gz XXLWEJACVBOYKZ-UHFFFAOYSA-N 1 0 398.301 2.433 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000415858532 532861250 /nfs/dbraw/zinc/86/12/50/532861250.db2.gz KCNYXRSBXCHCHT-CQSZACIVSA-N 1 0 395.301 2.019 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415876847 532861486 /nfs/dbraw/zinc/86/14/86/532861486.db2.gz JCCRVRYVGFRABL-UHFFFAOYSA-N 1 0 388.212 2.092 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415878895 532861764 /nfs/dbraw/zinc/86/17/64/532861764.db2.gz OLWYMBJWKOXASP-UHFFFAOYSA-N 1 0 386.677 2.467 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415872071 532861650 /nfs/dbraw/zinc/86/16/50/532861650.db2.gz QHDOBLYWGOSVPQ-OUAUKWLOSA-N 1 0 384.249 2.031 20 0 GEADRO O=C(Nc1cccc2cncc(Br)c21)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415872178 532861661 /nfs/dbraw/zinc/86/16/61/532861661.db2.gz RTDOMJIPNTXOHZ-GFCCVEGCSA-N 1 0 391.269 2.194 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415877886 532861692 /nfs/dbraw/zinc/86/16/92/532861692.db2.gz LORPGWFLVVOMPR-YRGRVCCFSA-N 1 0 380.286 2.200 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000415872333 532861750 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C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333082304 532863720 /nfs/dbraw/zinc/86/37/20/532863720.db2.gz XJMVTPBTOQAWKB-CHWSQXEVSA-N 1 0 382.511 2.359 20 0 GEADRO C[C@@](CO)(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc(Br)cc1 ZINC000416049803 532864017 /nfs/dbraw/zinc/86/40/17/532864017.db2.gz RGQYMGRMRKKMNG-YPMHNXCESA-N 1 0 398.223 2.236 20 0 GEADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000275092758 532864343 /nfs/dbraw/zinc/86/43/43/532864343.db2.gz IIWIBIUURLAECM-YPMHNXCESA-N 1 0 395.219 2.483 20 0 GEADRO COc1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c(Br)c1 ZINC000289760714 532864359 /nfs/dbraw/zinc/86/43/59/532864359.db2.gz QIJFZRBHLMATII-HOCLYGCPSA-N 1 0 380.286 2.399 20 0 GEADRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)ccc1C(F)(F)F ZINC000289809005 532865415 /nfs/dbraw/zinc/86/54/15/532865415.db2.gz NKTITCHYULRDAO-UHFFFAOYSA-N 1 0 380.432 2.403 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)C2(c3cc(Br)ccc3OC)CC2)C1 ZINC000416151833 532865622 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GEADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000289854767 532866531 /nfs/dbraw/zinc/86/65/31/532866531.db2.gz MOSZGAJEYQDQIX-LBPRGKRZSA-N 1 0 376.906 2.462 20 0 GEADRO O=C(CNS(=O)(=O)c1cccs1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000289894623 532867134 /nfs/dbraw/zinc/86/71/34/532867134.db2.gz SMGWZPWXNNBSLG-UHFFFAOYSA-N 1 0 379.507 2.261 20 0 GEADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333319811 532867040 /nfs/dbraw/zinc/86/70/40/532867040.db2.gz PEZYRDPQPHMGKP-BLLLJJGKSA-N 1 0 375.270 2.459 20 0 GEADRO Cc1cc(Br)cc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000333356407 532867633 /nfs/dbraw/zinc/86/76/33/532867633.db2.gz CDBTUUCKSILBER-LSDHHAIUSA-N 1 0 378.274 2.450 20 0 GEADRO CSc1ccc(Cl)c(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000333472088 532868816 /nfs/dbraw/zinc/86/88/16/532868816.db2.gz GAPUODRPBBNYHE-CYBMUJFWSA-N 1 0 381.929 2.488 20 0 GEADRO O=C(CSc1ccccc1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333475498 532868727 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NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000275284545 532870921 /nfs/dbraw/zinc/87/09/21/532870921.db2.gz KRKGUHFOASSBJY-CYBMUJFWSA-N 1 0 377.794 2.428 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)C[C@H]3CCCCC3(F)F)CC2)C1 ZINC000333656935 532871641 /nfs/dbraw/zinc/87/16/41/532871641.db2.gz KVJGNXUVZDMQRB-OAGGEKHMSA-N 1 0 380.501 2.360 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333645916 532871689 /nfs/dbraw/zinc/87/16/89/532871689.db2.gz IZVBBJNLGAEHAJ-GOEBONIOSA-N 1 0 388.917 2.256 20 0 GEADRO CC[NH+](CC)CCNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000017639645 207090134 /nfs/dbraw/zinc/09/01/34/207090134.db2.gz RCKKASJLPFSTFE-UHFFFAOYSA-N 1 0 376.526 2.185 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(Cl)ccc3F)CC2)C1 ZINC000333729756 532872360 /nfs/dbraw/zinc/87/23/60/532872360.db2.gz VXWCGUJHCXUMAD-ZFWWWQNUSA-N 1 0 376.881 2.386 20 0 GEADRO O=C(Cc1cccc(Cl)c1Cl)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333746426 532872955 /nfs/dbraw/zinc/87/29/55/532872955.db2.gz MMKJWYIWWMJOIQ-AWEZNQCLSA-N 1 0 384.307 2.349 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C1CCS(=O)(=O)CC1 ZINC000275337265 532873059 /nfs/dbraw/zinc/87/30/59/532873059.db2.gz NZWALKFNLHAAGQ-DGCLKSJQSA-N 1 0 388.892 2.387 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000333737650 532872818 /nfs/dbraw/zinc/87/28/18/532872818.db2.gz XCQFISOKVWUYOC-YOEHRIQHSA-N 1 0 381.523 2.203 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333746393 532872848 /nfs/dbraw/zinc/87/28/48/532872848.db2.gz JMFAJARDHMOTNU-OWYVNGRQSA-N 1 0 384.249 2.415 20 0 GEADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333792677 532873383 /nfs/dbraw/zinc/87/33/83/532873383.db2.gz GKVYKUJYDCDXOT-BLLLJJGKSA-N 1 0 382.302 2.284 20 0 GEADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333792680 532873425 /nfs/dbraw/zinc/87/34/25/532873425.db2.gz GKVYKUJYDCDXOT-WBMJQRKESA-N 1 0 382.302 2.284 20 0 GEADRO Cc1ccc(Br)cc1C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333786289 532873499 /nfs/dbraw/zinc/87/34/99/532873499.db2.gz WMPLWZYJCQVSKU-HNNXBMFYSA-N 1 0 394.313 2.184 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C(F)F ZINC000416379083 532873705 /nfs/dbraw/zinc/87/37/05/532873705.db2.gz ZNLQKQMDOWHRJO-VXGBXAGGSA-N 1 0 378.489 2.312 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000333861730 532873913 /nfs/dbraw/zinc/87/39/13/532873913.db2.gz ZLMRQIAUKVQWJB-WFASDCNBSA-N 1 0 385.555 2.386 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)nc12 ZINC000333852517 532874047 /nfs/dbraw/zinc/87/40/47/532874047.db2.gz XOGROQBLOPJQQS-QGZVFWFLSA-N 1 0 392.301 2.300 20 0 GEADRO O=C(C[NH2+]Cc1cc(Br)cc(Br)c1)N1CCOCC1 ZINC000290181418 532874558 /nfs/dbraw/zinc/87/45/58/532874558.db2.gz RWTHUQKHKRLWGG-UHFFFAOYSA-N 1 0 392.091 2.160 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)nc12 ZINC000333855136 532874097 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O=C(NCc1nc2cc(Cl)ccc2s1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333945592 532876141 /nfs/dbraw/zinc/87/61/41/532876141.db2.gz TTXSHJHJSSZNHV-CYBMUJFWSA-N 1 0 379.917 2.139 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000416404418 532876429 /nfs/dbraw/zinc/87/64/29/532876429.db2.gz ADRFUOYROGWLOD-NEPJUHHUSA-N 1 0 376.906 2.460 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000290296311 532877646 /nfs/dbraw/zinc/87/76/46/532877646.db2.gz YJAINJKYWYYBDW-CYBMUJFWSA-N 1 0 377.304 2.144 20 0 GEADRO COc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1Cl ZINC000416440924 532877744 /nfs/dbraw/zinc/87/77/44/532877744.db2.gz UHXMFWPPEOCLFD-SRCQZFHVSA-N 1 0 388.917 2.221 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc3cnccc32)C[C@H]1[NH+]1CCCC1 ZINC000275525043 532877995 /nfs/dbraw/zinc/87/79/95/532877995.db2.gz WHPXLQAPYOIZBQ-SJORKVTESA-N 1 0 377.535 2.435 20 0 GEADRO C[NH+](C)CCNC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000417446781 532879982 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C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421169402 532889314 /nfs/dbraw/zinc/88/93/14/532889314.db2.gz CRHDVUZAMSMULH-ZDUSSCGKSA-N 1 0 394.313 2.329 20 0 GEADRO COc1cc(Cl)ccc1[C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000421831985 532890859 /nfs/dbraw/zinc/89/08/59/532890859.db2.gz FKMPAUWOUZIJSN-ZFWWWQNUSA-N 1 0 390.933 2.488 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000276199134 532890870 /nfs/dbraw/zinc/89/08/70/532890870.db2.gz FSEWWFIZZVFXQP-UHFFFAOYSA-N 1 0 386.290 2.196 20 0 GEADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000360852043 532891397 /nfs/dbraw/zinc/89/13/97/532891397.db2.gz UHMBKEUATYBFJA-GHMZBOCLSA-N 1 0 378.420 2.167 20 0 GEADRO Cc1cc(Br)oc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000361201712 532892431 /nfs/dbraw/zinc/89/24/31/532892431.db2.gz OFVIPCNHGGGQQD-UONOGXRCSA-N 1 0 384.318 2.449 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423097141 532893578 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S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000738408696 598321511 /nfs/dbraw/zinc/32/15/11/598321511.db2.gz ODDPJJBZCDTYQJ-NEPJUHHUSA-N 1 0 377.905 2.433 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)([NH+](C)C)C1 ZINC000736249904 598325056 /nfs/dbraw/zinc/32/50/56/598325056.db2.gz LPDWMLUFMBMDDS-BFUOFWGJSA-N 1 0 389.479 2.316 20 0 GEADRO C[NH+](C)CCCCCCCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736758665 598325943 /nfs/dbraw/zinc/32/59/43/598325943.db2.gz HXRAKWLDHPJETM-UHFFFAOYSA-N 1 0 377.468 2.317 20 0 GEADRO CCC(CC)[N@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)C1CC1 ZINC000736345603 598334253 /nfs/dbraw/zinc/33/42/53/598334253.db2.gz JMAFWGBYRGJRTC-UHFFFAOYSA-N 1 0 397.483 2.241 20 0 GEADRO O[C@H](C[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)cn2)CC1)c1ccccc1 ZINC000738380823 598337683 /nfs/dbraw/zinc/33/76/83/598337683.db2.gz HXMDSCMQECWDIL-GOSISDBHSA-N 1 0 379.468 2.119 20 0 GEADRO CC(C)n1ccnc1CN1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735966230 598348412 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ZINC000738407137 598493614 /nfs/dbraw/zinc/49/36/14/598493614.db2.gz GHLVOXLWJXOZRK-GFCCVEGCSA-N 1 0 377.905 2.291 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736856752 598497096 /nfs/dbraw/zinc/49/70/96/598497096.db2.gz MXBBUKRKSRRFEV-CQSZACIVSA-N 1 0 396.451 2.110 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1-c1nn[nH]n1 ZINC000737188787 598503187 /nfs/dbraw/zinc/50/31/87/598503187.db2.gz GPLFLXVHOKMVKY-JTQLQIEISA-N 1 0 387.513 2.074 20 0 GEADRO Clc1ccc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CC2)cc1 ZINC000737570736 598518975 /nfs/dbraw/zinc/51/89/75/598518975.db2.gz LORGCMTWTITEAS-BDJLRTHQSA-N 1 0 384.875 2.499 20 0 GEADRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735914046 598522301 /nfs/dbraw/zinc/52/23/01/598522301.db2.gz HALFRNZOKRZJJG-UONOGXRCSA-N 1 0 382.472 2.243 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1C(F)(F)F ZINC000736137140 598524474 /nfs/dbraw/zinc/52/44/74/598524474.db2.gz VTEHEDOXGNPDTF-WDEREUQCSA-N 1 0 392.389 2.475 20 0 GEADRO C[C@@](O)(C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)c1ccccc1 ZINC000736138903 598524499 /nfs/dbraw/zinc/52/44/99/598524499.db2.gz SCPBDNGKYXNJFN-HXUWFJFHSA-N 1 0 382.443 2.036 20 0 GEADRO CN1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)Cc2ccccc21 ZINC000736865571 598526041 /nfs/dbraw/zinc/52/60/41/598526041.db2.gz ZNLACMYGTZRSBK-UHFFFAOYSA-N 1 0 377.452 2.147 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)C2 ZINC000738428218 598530118 /nfs/dbraw/zinc/53/01/18/598530118.db2.gz MORMGBAZCLLEIW-JENIJYKNSA-N 1 0 392.511 2.496 20 0 GEADRO CC(C)(Cc1ccccc1Cl)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735671150 598530525 /nfs/dbraw/zinc/53/05/25/598530525.db2.gz PHBYBNOQQSRQTF-LBPRGKRZSA-N 1 0 386.891 2.369 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000737190276 598536135 /nfs/dbraw/zinc/53/61/35/598536135.db2.gz WZWHDEGFLLVPKQ-NSHDSACASA-N 1 0 399.524 2.075 20 0 GEADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737894201 598569942 /nfs/dbraw/zinc/56/99/42/598569942.db2.gz HYXXNLHGIKTQMH-IBGZPJMESA-N 1 0 397.527 2.440 20 0 GEADRO O=C(COc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737925871 598570252 /nfs/dbraw/zinc/57/02/52/598570252.db2.gz ZSLVMIRYSZZMRF-GOSISDBHSA-N 1 0 398.511 2.406 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000736266406 598578385 /nfs/dbraw/zinc/57/83/85/598578385.db2.gz HLGTUSZHCCCSRM-GJYPPUQNSA-N 1 0 397.527 2.215 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735882486 598596062 /nfs/dbraw/zinc/59/60/62/598596062.db2.gz RMSIZLRICPBUJG-LPHOPBHVSA-N 1 0 397.527 2.072 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735831706 598596112 /nfs/dbraw/zinc/59/61/12/598596112.db2.gz SZCGGJLXUSQOTM-LJQANCHMSA-N 1 0 397.527 2.072 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736403950 598625894 /nfs/dbraw/zinc/62/58/94/598625894.db2.gz ZVCWZOWWBKWYJK-HNNXBMFYSA-N 1 0 385.516 2.295 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736403160 598625987 /nfs/dbraw/zinc/62/59/87/598625987.db2.gz SVDKRNGWPGWBDO-HNNXBMFYSA-N 1 0 386.500 2.262 20 0 GEADRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736769006 598629335 /nfs/dbraw/zinc/62/93/35/598629335.db2.gz MTHXUGWEXUCSPQ-UHFFFAOYSA-N 1 0 399.430 2.268 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736226098 598633605 /nfs/dbraw/zinc/63/36/05/598633605.db2.gz VFCMBFDQZMFKCM-FRRDWIJNSA-N 1 0 375.452 2.494 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CC[C@H]1CCCCO1 ZINC000736766540 598653465 /nfs/dbraw/zinc/65/34/65/598653465.db2.gz ATJMRUFTUPMQTP-GOSISDBHSA-N 1 0 386.500 2.106 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000737833222 598655579 /nfs/dbraw/zinc/65/55/79/598655579.db2.gz QPCUBMJLGJWNFW-KRWDZBQOSA-N 1 0 384.484 2.113 20 0 GEADRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736170287 598666369 /nfs/dbraw/zinc/66/63/69/598666369.db2.gz PBFCJVQDFCFQDG-CVEARBPZSA-N 1 0 394.479 2.271 20 0 GEADRO C[NH+](C)CCCOc1cccc(NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736766614 598669533 /nfs/dbraw/zinc/66/95/33/598669533.db2.gz FAGSMPBJWNHOGZ-UHFFFAOYSA-N 1 0 380.452 2.378 20 0 GEADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736767099 598671063 /nfs/dbraw/zinc/67/10/63/598671063.db2.gz LJPPXFKBLFILIA-UHFFFAOYSA-N 1 0 380.452 2.127 20 0 GEADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000737963943 598671725 /nfs/dbraw/zinc/67/17/25/598671725.db2.gz VNIUPTLLIPQYAN-LJQANCHMSA-N 1 0 390.491 2.090 20 0 GEADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738051108 598672772 /nfs/dbraw/zinc/67/27/72/598672772.db2.gz ZFGIKKSRWWJRPF-KRWDZBQOSA-N 1 0 376.464 2.161 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736861087 598673588 /nfs/dbraw/zinc/67/35/88/598673588.db2.gz YHNGQRZEWIEQNG-OAHLLOKOSA-N 1 0 375.908 2.126 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)[N@H+](C)C1CC1 ZINC000736026577 598687786 /nfs/dbraw/zinc/68/77/86/598687786.db2.gz VCGDXVOIUMJZGG-ZDUSSCGKSA-N 1 0 393.451 2.267 20 0 GEADRO C[N@H+](CCNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000736801443 598688302 /nfs/dbraw/zinc/68/83/02/598688302.db2.gz VKLVHXCELSLJAX-UHFFFAOYSA-N 1 0 386.500 2.406 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000737189102 598697477 /nfs/dbraw/zinc/69/74/77/598697477.db2.gz IKJMKSVOIDBIQE-CYBMUJFWSA-N 1 0 399.524 2.170 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000735889315 598699974 /nfs/dbraw/zinc/69/99/74/598699974.db2.gz YNRMWNWDOQFGRV-QAPCUYQASA-N 1 0 386.500 2.259 20 0 GEADRO CCC[NH+]1CCC(N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736479888 598701729 /nfs/dbraw/zinc/70/17/29/598701729.db2.gz LLWQMLFRYSVVLA-UHFFFAOYSA-N 1 0 391.907 2.265 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000738038166 598755303 /nfs/dbraw/zinc/75/53/03/598755303.db2.gz HUFWZFAJFKFDJQ-UHFFFAOYSA-N 1 0 386.525 2.348 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736860803 598755914 /nfs/dbraw/zinc/75/59/14/598755914.db2.gz WNKQLDUEPWRKOO-RBUKOAKNSA-N 1 0 378.484 2.246 20 0 GEADRO CSc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737192639 598763497 /nfs/dbraw/zinc/76/34/97/598763497.db2.gz KWBBJKSVNREZFA-UHFFFAOYSA-N 1 0 386.481 2.386 20 0 GEADRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCS1 ZINC000736284534 598767716 /nfs/dbraw/zinc/76/77/16/598767716.db2.gz AOLZNXIDXJGCOD-JTQLQIEISA-N 1 0 378.527 2.183 20 0 GEADRO C[C@@H](C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736236014 598777318 /nfs/dbraw/zinc/77/73/18/598777318.db2.gz FMLCAOBDHMBXAG-OAGGEKHMSA-N 1 0 398.511 2.498 20 0 GEADRO CC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735496678 598804737 /nfs/dbraw/zinc/80/47/37/598804737.db2.gz GKIISFRSAPKHND-UHFFFAOYSA-N 1 0 392.463 2.273 20 0 GEADRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)n1cccc1 ZINC000735972968 598808218 /nfs/dbraw/zinc/80/82/18/598808218.db2.gz AODCUPHCWZKAEU-MRXNPFEDSA-N 1 0 381.484 2.210 20 0 GEADRO CC(C)[NH2+]C1CCN([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735888954 598811346 /nfs/dbraw/zinc/81/13/46/598811346.db2.gz SVOMBSDCPOTRDG-LBPRGKRZSA-N 1 0 391.907 2.310 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C[C@@H]1[NH+](C)C ZINC000736293997 599297699 /nfs/dbraw/zinc/29/76/99/599297699.db2.gz VTBYCKTXSYAOHC-DYVFJYSZSA-N 1 0 393.451 2.076 20 0 GEADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736408485 599300736 /nfs/dbraw/zinc/30/07/36/599300736.db2.gz JIPYQGNOOXYKTA-WBVHZDCISA-N 1 0 386.500 2.248 20 0 GEADRO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000822361500 599306750 /nfs/dbraw/zinc/30/67/50/599306750.db2.gz CSQUJLGZGSRQHW-UHFFFAOYSA-N 1 0 391.479 2.326 20 0 GEADRO CCC[C@@H](C(=O)OCC)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736416182 599362658 /nfs/dbraw/zinc/36/26/58/599362658.db2.gz LOYSQCVQGQQGPE-SFHVURJKSA-N 1 0 386.500 2.106 20 0 GEADRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821286877 599369788 /nfs/dbraw/zinc/36/97/88/599369788.db2.gz YTXWTWVFJSBEFO-AWEZNQCLSA-N 1 0 380.452 2.232 20 0 GEADRO CC[C@H](C(=O)NCCSCc1ccccc1-c1nn[nH]n1)[NH+](CC)CC ZINC000736312997 599372035 /nfs/dbraw/zinc/37/20/35/599372035.db2.gz KHYJMDVMSHQCKI-MRXNPFEDSA-N 1 0 376.530 2.337 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000820404395 599372738 /nfs/dbraw/zinc/37/27/38/599372738.db2.gz UNCLWUGYWMZTMW-HUUCEWRRSA-N 1 0 376.464 2.491 20 0 GEADRO CC[C@H](C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](CC)CC ZINC000736312027 599373371 /nfs/dbraw/zinc/37/33/71/599373371.db2.gz DOBNRZVPYZHZLP-GOSISDBHSA-N 1 0 386.500 2.357 20 0 GEADRO C[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1cccc(Cl)c1 ZINC000820274317 599381125 /nfs/dbraw/zinc/38/11/25/599381125.db2.gz HCBWFYRBZJCEFH-BDJLRTHQSA-N 1 0 386.843 2.104 20 0 GEADRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821777808 599381620 /nfs/dbraw/zinc/38/16/20/599381620.db2.gz MQLIREXBZNIIER-SCLBCKFNSA-N 1 0 380.452 2.185 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C12CCCC2 ZINC000821359268 599386613 /nfs/dbraw/zinc/38/66/13/599386613.db2.gz NANGIABIFGSLGN-OKZBNKHCSA-N 1 0 396.495 2.299 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)Nc1ccccc1F ZINC000820410343 599389446 /nfs/dbraw/zinc/38/94/46/599389446.db2.gz DSGPHQHVGZVYKB-NWDGAFQWSA-N 1 0 397.414 2.393 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccccc2Cn2cccn2)cc1-c1nn[nH]n1 ZINC000821818656 599397136 /nfs/dbraw/zinc/39/71/36/599397136.db2.gz WTBNLWXJRGZHFW-UHFFFAOYSA-N 1 0 375.436 2.410 20 0 GEADRO CN(C)c1cc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c2ccccc2n1 ZINC000821588512 599397807 /nfs/dbraw/zinc/39/78/07/599397807.db2.gz WNMLLVNIUDMUGE-UHFFFAOYSA-N 1 0 399.462 2.418 20 0 GEADRO Clc1ccc(-c2nn[nH]n2)c(N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000737571138 599420853 /nfs/dbraw/zinc/42/08/53/599420853.db2.gz SZEKNKDLJLZBBK-UHFFFAOYSA-N 1 0 376.892 2.459 20 0 GEADRO COc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2OC)cc1-c1nn[nH]n1 ZINC000821813961 599425179 /nfs/dbraw/zinc/42/51/79/599425179.db2.gz QFJRCNABAZPRRB-UHFFFAOYSA-N 1 0 399.451 2.233 20 0 GEADRO COCc1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000821695854 599425593 /nfs/dbraw/zinc/42/55/93/599425593.db2.gz KTGRYLAIOWQFFJ-UHFFFAOYSA-N 1 0 379.468 2.167 20 0 GEADRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1-c1nn[nH]n1 ZINC000821803143 599425819 /nfs/dbraw/zinc/42/58/19/599425819.db2.gz CKAVSVGGXFKPKX-LBPRGKRZSA-N 1 0 378.436 2.245 20 0 GEADRO COc1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1-c1nn[nH]n1 ZINC000821804229 599442465 /nfs/dbraw/zinc/44/24/65/599442465.db2.gz KDKQXPDFFODUAW-OAHLLOKOSA-N 1 0 378.436 2.050 20 0 GEADRO CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821020524 599447585 /nfs/dbraw/zinc/44/75/85/599447585.db2.gz CSGSWMVQJFFJAB-IAGOWNOFSA-N 1 0 380.500 2.496 20 0 GEADRO COc1cccc(-c2n[nH]cc2C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821854763 599450791 /nfs/dbraw/zinc/45/07/91/599450791.db2.gz UUKGFEDYTICLBP-UHFFFAOYSA-N 1 0 391.435 2.434 20 0 GEADRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000821805704 599454600 /nfs/dbraw/zinc/45/46/00/599454600.db2.gz WIQYSRUXJQCEJC-DYVFJYSZSA-N 1 0 378.436 2.159 20 0 GEADRO C[NH+]1CCN(CCOc2ccc(NCc3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000821627117 599463086 /nfs/dbraw/zinc/46/30/86/599463086.db2.gz OCCRFJPORMBGJW-UHFFFAOYSA-N 1 0 393.495 2.105 20 0 GEADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000737742919 599478867 /nfs/dbraw/zinc/47/88/67/599478867.db2.gz RNYBGLWBAKKWHK-KDOFPFPSSA-N 1 0 380.427 2.097 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000738425214 599483172 /nfs/dbraw/zinc/48/31/72/599483172.db2.gz MAYHFXCABXLTKF-LJQANCHMSA-N 1 0 388.479 2.441 20 0 GEADRO Fc1cc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)ccc1-n1ccnc1 ZINC000737643752 599487619 /nfs/dbraw/zinc/48/76/19/599487619.db2.gz FLWLOOZTORJEEF-UHFFFAOYSA-N 1 0 389.398 2.129 20 0 GEADRO Fc1ccc(N2CC[C@H](C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)cc1 ZINC000737659662 599487657 /nfs/dbraw/zinc/48/76/57/599487657.db2.gz LEFUXRYQTZCQHQ-CQSZACIVSA-N 1 0 392.442 2.270 20 0 GEADRO Fc1ccc2[nH]cc(CC[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)c2c1 ZINC000737657810 599490775 /nfs/dbraw/zinc/49/07/75/599490775.db2.gz ZUHFMIOEDGJYRM-UHFFFAOYSA-N 1 0 376.399 2.467 20 0 GEADRO C[N@H+](CCN1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1)Cc1ccccc1 ZINC000821602448 599526339 /nfs/dbraw/zinc/52/63/39/599526339.db2.gz CJCCNDZGRUKIEA-UHFFFAOYSA-N 1 0 395.486 2.260 20 0 GEADRO CC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC[N@@H+]1C[C@H](C)O ZINC000820995796 599533887 /nfs/dbraw/zinc/53/38/87/599533887.db2.gz YIAPNIADUGFWLX-GJZGRUSLSA-N 1 0 381.484 2.005 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000822332368 599535277 /nfs/dbraw/zinc/53/52/77/599535277.db2.gz OWXVLIPHKFFQOQ-HNNXBMFYSA-N 1 0 395.511 2.252 20 0 GEADRO COCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)C[C@@H]1C ZINC000821691135 599535391 /nfs/dbraw/zinc/53/53/91/599535391.db2.gz KCTTXQFUNUIKOB-HNNXBMFYSA-N 1 0 381.484 2.189 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000819913668 599566478 /nfs/dbraw/zinc/56/64/78/599566478.db2.gz AMRAXKSPKLQODZ-UHFFFAOYSA-N 1 0 396.499 2.471 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000736166508 599575189 /nfs/dbraw/zinc/57/51/89/599575189.db2.gz BEWJXFPFWVWXJH-HNNXBMFYSA-N 1 0 384.484 2.111 20 0 GEADRO COC[C@H](C)[NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736967981 599575487 /nfs/dbraw/zinc/57/54/87/599575487.db2.gz CVNFCZQPVTTYSB-WDEREUQCSA-N 1 0 378.502 2.149 20 0 GEADRO Cc1ccc(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)c(OCC[NH+](C)C)c1 ZINC000737356525 599575921 /nfs/dbraw/zinc/57/59/21/599575921.db2.gz HMVQMYWPSSFBQF-UHFFFAOYSA-N 1 0 395.467 2.166 20 0 GEADRO C[C@](CO)([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)C1CCCCC1 ZINC000820280786 599577772 /nfs/dbraw/zinc/57/77/72/599577772.db2.gz OPGALUCLTIWRJD-LJQANCHMSA-N 1 0 383.456 2.338 20 0 GEADRO c1cc(-c2nnc(C[N@@H+]3CCCC4(CCOCC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823738600 599579230 /nfs/dbraw/zinc/57/92/30/599579230.db2.gz WAGDBDHIYJGJSY-UHFFFAOYSA-N 1 0 381.440 2.309 20 0 GEADRO C[C@@H](C(=O)OC(C)(C)C)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735570216 599579739 /nfs/dbraw/zinc/57/97/39/599579739.db2.gz KXVQGMUVJLNJJN-HNNXBMFYSA-N 1 0 386.500 2.105 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000821702321 599580832 /nfs/dbraw/zinc/58/08/32/599580832.db2.gz PRJYGMHLGGPAQI-INIZCTEOSA-N 1 0 386.500 2.062 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000823690016 599581887 /nfs/dbraw/zinc/58/18/87/599581887.db2.gz KMVYSPNLVFPKNY-IEBWSBKVSA-N 1 0 387.484 2.030 20 0 GEADRO C[NH+](C)C1(CNc2c3ccccc3nnc2-c2nn[nH]n2)Cc2ccccc2C1 ZINC000821581464 599582065 /nfs/dbraw/zinc/58/20/65/599582065.db2.gz LYLNPZPXJPGWJC-UHFFFAOYSA-N 1 0 386.463 2.321 20 0 GEADRO C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820359944 599665075 /nfs/dbraw/zinc/66/50/75/599665075.db2.gz VTRBWCBLUJGFBA-HNAYVOBHSA-N 1 0 393.495 2.400 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000819866592 599690424 /nfs/dbraw/zinc/69/04/24/599690424.db2.gz OEAQRRWYEKAYAO-NEPJUHHUSA-N 1 0 378.864 2.206 20 0 GEADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000820971790 599690918 /nfs/dbraw/zinc/69/09/18/599690918.db2.gz GBRCQXCADOPSHA-ZIAGYGMSSA-N 1 0 380.456 2.111 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820127558 599699723 /nfs/dbraw/zinc/69/97/23/599699723.db2.gz JNPJQFTUKQZIKO-UHFFFAOYSA-N 1 0 398.511 2.357 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736762008 600109789 /nfs/dbraw/zinc/10/97/89/600109789.db2.gz KICYOTOCOAOMTF-BBWFWOEESA-N 1 0 388.512 2.093 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1-c1nn[nH]n1 ZINC000820166688 607427823 /nfs/dbraw/zinc/42/78/23/607427823.db2.gz ZYGATFDGYWEDKV-HNNXBMFYSA-N 1 0 383.456 2.132 20 0 GEADRO COCC(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000821680529 607449492 /nfs/dbraw/zinc/44/94/92/607449492.db2.gz LTWQDHNFUBEJSX-UHFFFAOYSA-N 1 0 378.502 2.150 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000737359301 600684691 /nfs/dbraw/zinc/68/46/91/600684691.db2.gz BSFRWWMFJKUNEP-UHFFFAOYSA-N 1 0 375.513 2.301 20 0 GEADRO C[NH+](C)Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)c1 ZINC000737370135 600802168 /nfs/dbraw/zinc/80/21/68/600802168.db2.gz FDMCHCKPBPLZGK-UHFFFAOYSA-N 1 0 396.491 2.207 20 0 GEADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N1CCN(c2ccccc2)CC1 ZINC000820273950 607472877 /nfs/dbraw/zinc/47/28/77/607472877.db2.gz AMFUQLAPJNFFEL-MRXNPFEDSA-N 1 0 395.486 2.306 20 0 GEADRO CS[C@@H]1CCCC[N@@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000826227333 607475341 /nfs/dbraw/zinc/47/53/41/607475341.db2.gz PHWSUQRMGGQZSB-YPMHNXCESA-N 1 0 378.527 2.251 20 0 GEADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](Cc1ccccc1)CN1CCOCC1 ZINC000822741512 607480978 /nfs/dbraw/zinc/48/09/78/607480978.db2.gz YCKVRJXMQQQRNX-LJQANCHMSA-N 1 0 396.470 2.039 20 0 GEADRO O=C(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407298 607478255 /nfs/dbraw/zinc/47/82/55/607478255.db2.gz HUVLQIZBMBYHPX-VQIMIIECSA-N 1 0 395.511 2.144 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000829764899 601011489 /nfs/dbraw/zinc/01/14/89/601011489.db2.gz BDPARDSIVCMUEN-HNNXBMFYSA-N 1 0 380.464 2.404 20 0 GEADRO OC1CC[NH+](Cc2ccccc2CNCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000823706710 607486856 /nfs/dbraw/zinc/48/68/56/607486856.db2.gz OBPUQMLVWCZTHM-UHFFFAOYSA-N 1 0 396.470 2.252 20 0 GEADRO CCCCCNC(=O)C1CC[NH+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000825276042 607483868 /nfs/dbraw/zinc/48/38/68/607483868.db2.gz NOACGVOVTAHQIY-UHFFFAOYSA-N 1 0 386.500 2.394 20 0 GEADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825285106 607487639 /nfs/dbraw/zinc/48/76/39/607487639.db2.gz JQEMRVZQGSBHNF-GDBMZVCRSA-N 1 0 386.500 2.392 20 0 GEADRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825232920 607489996 /nfs/dbraw/zinc/48/99/96/607489996.db2.gz LHVULOUKMXHKNF-ZBFHGGJFSA-N 1 0 386.500 2.392 20 0 GEADRO CCC[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323503 607495506 /nfs/dbraw/zinc/49/55/06/607495506.db2.gz WZFJMSPSZLGVPK-HNNXBMFYSA-N 1 0 387.488 2.483 20 0 GEADRO Brc1cnn(C2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)c1 ZINC000823832432 607499016 /nfs/dbraw/zinc/49/90/16/607499016.db2.gz NZYMPMJYBWZUOB-UHFFFAOYSA-N 1 0 389.261 2.058 20 0 GEADRO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826158832 607499475 /nfs/dbraw/zinc/49/94/75/607499475.db2.gz FIYZRBZZZAEBLG-UHFFFAOYSA-N 1 0 397.435 2.253 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000820541293 607501226 /nfs/dbraw/zinc/50/12/26/607501226.db2.gz DBXCYIVIDISMJM-DAYGRLMNSA-N 1 0 396.495 2.109 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826194581 607501850 /nfs/dbraw/zinc/50/18/50/607501850.db2.gz PVTLAGCGOWWJNV-HNNXBMFYSA-N 1 0 386.500 2.250 20 0 GEADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000822977933 607502372 /nfs/dbraw/zinc/50/23/72/607502372.db2.gz CMRCQAJIYXDXAH-MJGOQNOKSA-N 1 0 380.496 2.275 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824261596 607509206 /nfs/dbraw/zinc/50/92/06/607509206.db2.gz NBYOJGHFKPDGKG-HZPDHXFCSA-N 1 0 386.500 2.118 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccsc2C(=O)[O-])CC1 ZINC000830596384 601833659 /nfs/dbraw/zinc/83/36/59/601833659.db2.gz KSZFHFKVMWMTHT-UHFFFAOYSA-N 1 0 381.542 2.362 20 0 GEADRO CCc1ncsc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825755189 607535411 /nfs/dbraw/zinc/53/54/11/607535411.db2.gz RMYJHGPIKBJCIP-UHFFFAOYSA-N 1 0 385.497 2.090 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825856243 607543776 /nfs/dbraw/zinc/54/37/76/607543776.db2.gz SNYHEEARWZQUKB-GXOAENINSA-N 1 0 397.527 2.072 20 0 GEADRO CC[C@@](C)(CC(=O)[O-])[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000828653169 602219870 /nfs/dbraw/zinc/21/98/70/602219870.db2.gz WJOIJAINXGVHCR-NRFANRHFSA-N 1 0 375.513 2.262 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000824936929 607579819 /nfs/dbraw/zinc/57/98/19/607579819.db2.gz NJMUNZQFIRDELB-LBPRGKRZSA-N 1 0 398.920 2.063 20 0 GEADRO C[N@H+](C[C@H]1CCN(C(=O)[O-])C1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000739663571 603340608 /nfs/dbraw/zinc/34/06/08/603340608.db2.gz DFLIUBRKTPFDCR-QUCCMNQESA-N 1 0 375.513 2.364 20 0 GEADRO COc1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000826198304 607626577 /nfs/dbraw/zinc/62/65/77/607626577.db2.gz ULFKQVCRKJJQBQ-INIZCTEOSA-N 1 0 399.499 2.035 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825220419 607627101 /nfs/dbraw/zinc/62/71/01/607627101.db2.gz TVEJLLOBUBCITG-JKSUJKDBSA-N 1 0 399.499 2.034 20 0 GEADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444161107 649937983 /nfs/dbraw/zinc/93/79/83/649937983.db2.gz NNXABPYCJSWTCV-XCRHUMRWSA-N 1 0 378.314 2.391 20 0 GEADRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)nc1 ZINC000826287919 607656768 /nfs/dbraw/zinc/65/67/68/607656768.db2.gz JGESYIZMYDAQQN-UHFFFAOYSA-N 1 0 377.452 2.421 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)cc2c1OCC2)C(C)C ZINC000444176134 649939194 /nfs/dbraw/zinc/93/91/94/649939194.db2.gz NQPOLNIONCHMBT-UHFFFAOYSA-N 1 0 391.331 2.393 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(C)cc(Br)c2)C[C@H]1[NH+](C)C ZINC000444210151 649941380 /nfs/dbraw/zinc/94/13/80/649941380.db2.gz DVLAOYLTMAWBJH-KGLIPLIRSA-N 1 0 393.372 2.424 20 0 GEADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000826248406 607685553 /nfs/dbraw/zinc/68/55/53/607685553.db2.gz IDGCUKYLUKIVEB-UHFFFAOYSA-N 1 0 394.479 2.088 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000444264301 649943738 /nfs/dbraw/zinc/94/37/38/649943738.db2.gz CWHYKZKNIWCXKD-OAHLLOKOSA-N 1 0 387.512 2.254 20 0 GEADRO COC(=O)[C@@H]1CC12CC[NH+](CC[C@@H](C)[NH+]1CCC3(C[C@H]3C(=O)[O-])CC1)CC2 ZINC000831100678 604437264 /nfs/dbraw/zinc/43/72/64/604437264.db2.gz PAHFMWHYXNQGMA-IKGGRYGDSA-N 1 0 378.513 2.227 20 0 GEADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH+]1CCCCC1 ZINC000826218391 607702098 /nfs/dbraw/zinc/70/20/98/607702098.db2.gz AOGHGDWFROXBRY-QGZVFWFLSA-N 1 0 395.467 2.160 20 0 GEADRO C[C@@H](Oc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1)C(=O)[O-] ZINC000833538542 604620869 /nfs/dbraw/zinc/62/08/69/604620869.db2.gz DQJNHFBMHFRVAC-QGZVFWFLSA-N 1 0 376.497 2.473 20 0 GEADRO C[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)CC1(O)CCOCC1 ZINC000444755764 649952027 /nfs/dbraw/zinc/95/20/27/649952027.db2.gz YNTCTHWGYVIYEL-UHFFFAOYSA-N 1 0 375.296 2.125 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000824884475 607741127 /nfs/dbraw/zinc/74/11/27/607741127.db2.gz OBBOHHKQOOVFCM-GDBMZVCRSA-N 1 0 379.468 2.320 20 0 GEADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000824984406 607751023 /nfs/dbraw/zinc/75/10/23/607751023.db2.gz JOPOQMAODHXSBX-ZIAGYGMSSA-N 1 0 379.468 2.081 20 0 GEADRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824699447 607756793 /nfs/dbraw/zinc/75/67/93/607756793.db2.gz SWFCGNMSBVIHJH-WCQYABFASA-N 1 0 378.864 2.084 20 0 GEADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NCC[NH+]2CCC2)cc1 ZINC000826255041 607765612 /nfs/dbraw/zinc/76/56/12/607765612.db2.gz JKODJWMXMHDYJE-UHFFFAOYSA-N 1 0 378.436 2.403 20 0 GEADRO Cc1nc(C)c(C)c(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822427042 606062200 /nfs/dbraw/zinc/06/22/00/606062200.db2.gz AUKQITNGRKMBLW-UHFFFAOYSA-N 1 0 378.484 2.294 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821614681 606089002 /nfs/dbraw/zinc/08/90/02/606089002.db2.gz QKYXKONRWFQLHA-SFHVURJKSA-N 1 0 378.480 2.452 20 0 GEADRO COc1csc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821911039 606122550 /nfs/dbraw/zinc/12/25/50/606122550.db2.gz LYIMNQVHMNJSRI-UHFFFAOYSA-N 1 0 386.481 2.141 20 0 GEADRO CCN(Cc1ccccc1)S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000445711426 649964262 /nfs/dbraw/zinc/96/42/62/649964262.db2.gz HKHCXPAOCYSRTQ-ZWKOTPCHSA-N 1 0 383.583 2.265 20 0 GEADRO O=C(COc1ccccc1-c1nn[nH]n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000823049569 606125783 /nfs/dbraw/zinc/12/57/83/606125783.db2.gz HODFSCSKBTZUIC-UHFFFAOYSA-N 1 0 384.484 2.159 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000821254111 606184208 /nfs/dbraw/zinc/18/42/08/606184208.db2.gz JXMKUQBSOATYLX-BXUZGUMPSA-N 1 0 391.545 2.146 20 0 GEADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820678780 606189540 /nfs/dbraw/zinc/18/95/40/606189540.db2.gz YJMOIHIIHKGLMU-FRFSOERESA-N 1 0 375.498 2.293 20 0 GEADRO O=C(c1cc(F)ccc1O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823472418 606197446 /nfs/dbraw/zinc/19/74/46/606197446.db2.gz LLMUXDIAYWCCDG-UHFFFAOYSA-N 1 0 396.426 2.060 20 0 GEADRO CN1CCN([C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c2cccs2)CC1 ZINC000821627373 606207526 /nfs/dbraw/zinc/20/75/26/606207526.db2.gz YSKQTRCIOXTIAL-HNNXBMFYSA-N 1 0 389.554 2.068 20 0 GEADRO Fc1cccc([C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)N2CCOCC2)c1 ZINC000822786467 606214472 /nfs/dbraw/zinc/21/44/72/606214472.db2.gz KSXQVDRGGOSNFW-KRWDZBQOSA-N 1 0 388.472 2.230 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000820427503 606215206 /nfs/dbraw/zinc/21/52/06/606215206.db2.gz SALVPGQIZVTSIU-LLVKDONJSA-N 1 0 392.510 2.029 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1c(F)cccc1Cl ZINC000820420287 606223767 /nfs/dbraw/zinc/22/37/67/606223767.db2.gz ORMMCLRYYCMHJW-VHSXEESVSA-N 1 0 376.827 2.248 20 0 GEADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000822203179 606227195 /nfs/dbraw/zinc/22/71/95/606227195.db2.gz HZSPUHBPMDZGTG-SUMWQHHRSA-N 1 0 397.458 2.019 20 0 GEADRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c2cccs2)CC1 ZINC000820723082 606244864 /nfs/dbraw/zinc/24/48/64/606244864.db2.gz VMYIMLCSNRJCKN-HNNXBMFYSA-N 1 0 385.497 2.459 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cccc(OC)c1 ZINC000821181995 606249229 /nfs/dbraw/zinc/24/92/29/606249229.db2.gz ROPFBMDFCIZPAI-KRWDZBQOSA-N 1 0 383.456 2.016 20 0 GEADRO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3nn[nH]n3)cn2C)c2ccccc2)CC1 ZINC000820722704 606281481 /nfs/dbraw/zinc/28/14/81/606281481.db2.gz MBJBKGURRPOIPP-LJQANCHMSA-N 1 0 393.495 2.408 20 0 GEADRO CN(CC[NH+](C)C)C(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000821584708 606291240 /nfs/dbraw/zinc/29/12/40/606291240.db2.gz PCFQBRWDVRIAIA-UHFFFAOYSA-N 1 0 380.452 2.079 20 0 GEADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821777602 606304072 /nfs/dbraw/zinc/30/40/72/606304072.db2.gz JJHMDMRVAVZFRO-XHDPSFHLSA-N 1 0 384.465 2.393 20 0 GEADRO Cc1cc(C)c(CC[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000822194298 606310003 /nfs/dbraw/zinc/31/00/03/606310003.db2.gz QYWNYNQPWSKADC-UHFFFAOYSA-N 1 0 399.520 2.398 20 0 GEADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000821651769 606317538 /nfs/dbraw/zinc/31/75/38/606317538.db2.gz FZMACUWBEONCAZ-KRWDZBQOSA-N 1 0 386.500 2.135 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821002744 606334307 /nfs/dbraw/zinc/33/43/07/606334307.db2.gz YUGCIOVCYJWIEH-DLBZAZTESA-N 1 0 394.483 2.365 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820650348 606356952 /nfs/dbraw/zinc/35/69/52/606356952.db2.gz TVUONFGTACIYDC-UPJWGTAASA-N 1 0 375.452 2.494 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000820529739 606365930 /nfs/dbraw/zinc/36/59/30/606365930.db2.gz RIWKJMGHOUNUHW-AWEZNQCLSA-N 1 0 398.442 2.021 20 0 GEADRO CC(C)N1CCC[C@H]([NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1=O ZINC000820132465 606374996 /nfs/dbraw/zinc/37/49/96/606374996.db2.gz KZSXVBKREDESRR-SFHVURJKSA-N 1 0 384.484 2.109 20 0 GEADRO CCCCN(C(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000445887860 649966023 /nfs/dbraw/zinc/96/60/23/649966023.db2.gz SCJJOZUXZBXAOX-ZIAGYGMSSA-N 1 0 386.480 2.369 20 0 GEADRO O=C(Nc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1)[C@@H]1CCCO1 ZINC000823363783 606413159 /nfs/dbraw/zinc/41/31/59/606413159.db2.gz MYERZIJAOIAQPU-HNNXBMFYSA-N 1 0 384.465 2.336 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000821268104 606453186 /nfs/dbraw/zinc/45/31/86/606453186.db2.gz SRZFKXDIEAAMEM-GFCCVEGCSA-N 1 0 383.422 2.323 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821267109 606453392 /nfs/dbraw/zinc/45/33/92/606453392.db2.gz KLFCACDTNAEAEM-LBPRGKRZSA-N 1 0 383.422 2.323 20 0 GEADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821622124 606501533 /nfs/dbraw/zinc/50/15/33/606501533.db2.gz STJIUXTZEQBLGC-UHFFFAOYSA-N 1 0 380.452 2.125 20 0 GEADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2C[C@H](C)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000822015443 606504326 /nfs/dbraw/zinc/50/43/26/606504326.db2.gz JOHLGSXWVXOIRN-STQMWFEESA-N 1 0 397.483 2.453 20 0 GEADRO CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@H](C)C3)C1 ZINC000821697759 606519267 /nfs/dbraw/zinc/51/92/67/606519267.db2.gz PYZVBCCEHMKDEV-RYUDHWBXSA-N 1 0 390.513 2.102 20 0 GEADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000822851214 606524566 /nfs/dbraw/zinc/52/45/66/606524566.db2.gz VRHGLCRJRQHBQS-SFHVURJKSA-N 1 0 380.427 2.412 20 0 GEADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820571501 606530610 /nfs/dbraw/zinc/53/06/10/606530610.db2.gz ZYCFOILRFHZBGR-KXBFYZLASA-N 1 0 376.464 2.361 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccc([S@](C)=O)cc1 ZINC000821598194 606623626 /nfs/dbraw/zinc/62/36/26/606623626.db2.gz USABABWCBQMIHS-NDEPHWFRSA-N 1 0 398.492 2.065 20 0 GEADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000821104401 606632806 /nfs/dbraw/zinc/63/28/06/606632806.db2.gz BQFZFEHDXZCYLD-RHSMWYFYSA-N 1 0 383.500 2.414 20 0 GEADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000821104403 606632808 /nfs/dbraw/zinc/63/28/08/606632808.db2.gz BQFZFEHDXZCYLD-YOEHRIQHSA-N 1 0 383.500 2.414 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000821628168 606663148 /nfs/dbraw/zinc/66/31/48/606663148.db2.gz BTORDIDAPBNAIL-UHFFFAOYSA-N 1 0 399.405 2.149 20 0 GEADRO CC[N@H+]1C[C@H](NC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)[C@@H](C)C1 ZINC000821242801 606692128 /nfs/dbraw/zinc/69/21/28/606692128.db2.gz WBKFGILPUWACDB-BBRMVZONSA-N 1 0 396.451 2.109 20 0 GEADRO O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822993730 606714952 /nfs/dbraw/zinc/71/49/52/606714952.db2.gz XIBCMFUDFVAUTA-QGZVFWFLSA-N 1 0 380.427 2.112 20 0 GEADRO C[C@]1(c2ccccc2)CC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820633372 606718300 /nfs/dbraw/zinc/71/83/00/606718300.db2.gz AUVWQFISPDKIIU-NRFANRHFSA-N 1 0 376.464 2.147 20 0 GEADRO FC(F)(F)CN1CC[C@@H]([NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000822719028 606721991 /nfs/dbraw/zinc/72/19/91/606721991.db2.gz XXQISVYWTXXTCW-OAHLLOKOSA-N 1 0 395.433 2.062 20 0 GEADRO O=C(c1cc[nH]c(=O)c1Br)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000446025071 649967999 /nfs/dbraw/zinc/96/79/99/649967999.db2.gz ZQMQXOOMHMRSIP-UHFFFAOYSA-N 1 0 398.301 2.124 20 0 GEADRO CC[N@@H+]1C[C@H](C)[C@H](Nc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000821241284 606731477 /nfs/dbraw/zinc/73/14/77/606731477.db2.gz LMPZQCUCGPRKIN-ZUZCIYMTSA-N 1 0 389.410 2.190 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)c2ccccc2O1 ZINC000821584389 606747112 /nfs/dbraw/zinc/74/71/12/606747112.db2.gz BHYSMCLKTHYVMQ-QGZVFWFLSA-N 1 0 392.463 2.155 20 0 GEADRO COCCOc1ccccc1N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000821693780 606761667 /nfs/dbraw/zinc/76/16/67/606761667.db2.gz NISGEPGEBQJCSQ-UHFFFAOYSA-N 1 0 394.479 2.214 20 0 GEADRO CN(CCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821603870 606796981 /nfs/dbraw/zinc/79/69/81/606796981.db2.gz SBEVXONOBWXYFK-IBGZPJMESA-N 1 0 378.480 2.452 20 0 GEADRO CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821570970 606812318 /nfs/dbraw/zinc/81/23/18/606812318.db2.gz UAHUANDIQOSNJG-LJQANCHMSA-N 1 0 376.464 2.142 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000820033337 606814628 /nfs/dbraw/zinc/81/46/28/606814628.db2.gz UJORELJMIACVRH-HFTRVMKXSA-N 1 0 386.500 2.115 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000820033348 606814841 /nfs/dbraw/zinc/81/48/41/606814841.db2.gz UJORELJMIACVRH-ZVZYQTTQSA-N 1 0 386.500 2.115 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000822535334 606819159 /nfs/dbraw/zinc/81/91/59/606819159.db2.gz NRANVDXAYKRPHQ-GXTWGEPZSA-N 1 0 383.456 2.017 20 0 GEADRO C[C@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000820742489 606835445 /nfs/dbraw/zinc/83/54/45/606835445.db2.gz KZQRVZZARVUJQI-ZANVPECISA-N 1 0 383.378 2.299 20 0 GEADRO Cc1nc2sccn2c1C[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822467579 606845593 /nfs/dbraw/zinc/84/55/93/606845593.db2.gz PKHDQJFUTVRLKT-UHFFFAOYSA-N 1 0 396.480 2.345 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682001 606846618 /nfs/dbraw/zinc/84/66/18/606846618.db2.gz MEHQUOWXQATEIQ-VQTJNVASSA-N 1 0 378.480 2.327 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820658831 606862567 /nfs/dbraw/zinc/86/25/67/606862567.db2.gz UZUYIRIWIWMZFR-HNAYVOBHSA-N 1 0 391.479 2.329 20 0 GEADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000821703171 606870476 /nfs/dbraw/zinc/87/04/76/606870476.db2.gz RYTDWNQVYCJHDG-UHFFFAOYSA-N 1 0 398.442 2.218 20 0 GEADRO O=C(CC[NH+]1CCN(c2cccs2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000822969150 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C[NH+](C)CCN(C(=O)NCc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC000821584654 606982422 /nfs/dbraw/zinc/98/24/22/606982422.db2.gz MUELXOMLRWBTCV-UHFFFAOYSA-N 1 0 375.452 2.022 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000820529167 607042064 /nfs/dbraw/zinc/04/20/64/607042064.db2.gz PLISCUPAAYOJJU-HNNXBMFYSA-N 1 0 384.484 2.111 20 0 GEADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000823065991 607042709 /nfs/dbraw/zinc/04/27/09/607042709.db2.gz HQRDHFLVQDLUTO-UHFFFAOYSA-N 1 0 386.525 2.436 20 0 GEADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000819939880 607061248 /nfs/dbraw/zinc/06/12/48/607061248.db2.gz LGAFHHHQWGKMAK-GFCCVEGCSA-N 1 0 376.436 2.352 20 0 GEADRO Cc1ccc(N(C)C2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)nn1 ZINC000822241263 607064912 /nfs/dbraw/zinc/06/49/12/607064912.db2.gz PUYZAPOBXFFTEB-UHFFFAOYSA-N 1 0 382.447 2.205 20 0 GEADRO CCc1nsc(N2CCC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)n1 ZINC000821558884 607069722 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388.472 2.317 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[C@H]1c1ccccc1 ZINC000826029100 607979541 /nfs/dbraw/zinc/97/95/41/607979541.db2.gz OEKDIQDXQZQBCF-ZWKOTPCHSA-N 1 0 395.442 2.250 20 0 GEADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000825972062 607981273 /nfs/dbraw/zinc/98/12/73/607981273.db2.gz UFCZZYMFPHXBIB-RTBURBONSA-N 1 0 391.479 2.454 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cc(C)cc(C)c3)CC2)c1-c1nn[nH]n1 ZINC000826073569 608020164 /nfs/dbraw/zinc/02/01/64/608020164.db2.gz XQUUUESCNWBLAX-UHFFFAOYSA-N 1 0 394.483 2.029 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(C)(C)C)s2)c1-c1nn[nH]n1 ZINC000826084039 608022466 /nfs/dbraw/zinc/02/24/66/608022466.db2.gz UJBHDAGXTPQIQG-UHFFFAOYSA-N 1 0 388.501 2.353 20 0 GEADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000825975880 608031865 /nfs/dbraw/zinc/03/18/65/608031865.db2.gz AJPQDKMBBZCYIC-LJQANCHMSA-N 1 0 376.464 2.490 20 0 GEADRO 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HKSFENUNAJRVAC-GOSISDBHSA-N 1 0 380.452 2.232 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc(S(C)(=O)=O)cc1 ZINC000824612633 608428831 /nfs/dbraw/zinc/42/88/31/608428831.db2.gz NVOOVKHLXXBUJO-LLVKDONJSA-N 1 0 375.429 2.260 20 0 GEADRO c1ccc(C[NH+]2CCC(OCCCNc3ccc(-c4nn[nH]n4)nn3)CC2)cc1 ZINC000826521826 608429682 /nfs/dbraw/zinc/42/96/82/608429682.db2.gz ZTWVCGXPQDBMIL-UHFFFAOYSA-N 1 0 394.483 2.140 20 0 GEADRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c(-c2nn[nH]n2)c1C ZINC000826341687 608431371 /nfs/dbraw/zinc/43/13/71/608431371.db2.gz NMNNVESYQPYHPY-WDEREUQCSA-N 1 0 398.423 2.483 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CC1CCOCC1 ZINC000824044896 608459254 /nfs/dbraw/zinc/45/92/54/608459254.db2.gz APYJHGSEILDCBY-LLVKDONJSA-N 1 0 378.864 2.206 20 0 GEADRO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826208905 608460104 /nfs/dbraw/zinc/46/01/04/608460104.db2.gz FKMJEDDCUNBBRC-WFASDCNBSA-N 1 0 387.415 2.105 20 0 GEADRO 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ZINC000824554294 608466691 /nfs/dbraw/zinc/46/66/91/608466691.db2.gz ODPCHGQCQGZGOG-AWEZNQCLSA-N 1 0 398.442 2.194 20 0 GEADRO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826291045 608466954 /nfs/dbraw/zinc/46/69/54/608466954.db2.gz MSAXOWXPHKPVDI-CQSZACIVSA-N 1 0 393.451 2.482 20 0 GEADRO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825648935 608468908 /nfs/dbraw/zinc/46/89/08/608468908.db2.gz GWABGJUQSAUPMA-AWEZNQCLSA-N 1 0 380.452 2.232 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825856211 608475129 /nfs/dbraw/zinc/47/51/29/608475129.db2.gz ROOPLBAXOULSSR-UHFFFAOYSA-N 1 0 399.568 2.418 20 0 GEADRO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826192350 608482263 /nfs/dbraw/zinc/48/22/63/608482263.db2.gz KDPFGNFPIKILPQ-ZDUSSCGKSA-N 1 0 398.442 2.324 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCCOC1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562304 608484165 /nfs/dbraw/zinc/48/41/65/608484165.db2.gz FBISDJVLKMOLMF-HNNXBMFYSA-N 1 0 386.500 2.373 20 0 GEADRO C[C@H]([NH2+]CC(=O)N(C)CCOc1ccccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000824554389 608489227 /nfs/dbraw/zinc/48/92/27/608489227.db2.gz PGHRRIRLSBMRAG-AWEZNQCLSA-N 1 0 398.442 2.194 20 0 GEADRO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826207002 608491567 /nfs/dbraw/zinc/49/15/67/608491567.db2.gz VXGZBVRWKAFNGD-KDOFPFPSSA-N 1 0 383.452 2.104 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824531866 608493500 /nfs/dbraw/zinc/49/35/00/608493500.db2.gz RDRDRZOIIZAYEA-MNOVXSKESA-N 1 0 392.423 2.126 20 0 GEADRO COCCOc1ncccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826163299 608502377 /nfs/dbraw/zinc/50/23/77/608502377.db2.gz ODLWIXQFVSANKU-GOSISDBHSA-N 1 0 380.452 2.454 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826223936 608504096 /nfs/dbraw/zinc/50/40/96/608504096.db2.gz HNYIGZWDYPFGIW-GOSISDBHSA-N 1 0 383.477 2.437 20 0 GEADRO OCCn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826510426 608504970 /nfs/dbraw/zinc/50/49/70/608504970.db2.gz QIMXBFOISZAZEZ-MSOLQXFVSA-N 1 0 379.468 2.100 20 0 GEADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000826222337 608505878 /nfs/dbraw/zinc/50/58/78/608505878.db2.gz SVAKLJMHEOPGGX-HOTGVXAUSA-N 1 0 395.554 2.045 20 0 GEADRO CCn1nc(C)c(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000825807142 608506252 /nfs/dbraw/zinc/50/62/52/608506252.db2.gz NLTODYYKYBKNMC-UHFFFAOYSA-N 1 0 394.527 2.408 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1-n1cccn1 ZINC000824565110 608517148 /nfs/dbraw/zinc/51/71/48/608517148.db2.gz ZGSJPBBDGQKQQU-AWEZNQCLSA-N 1 0 388.435 2.342 20 0 GEADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826412155 608526595 /nfs/dbraw/zinc/52/65/95/608526595.db2.gz DGXHHCVBVHZEJD-APWZRJJASA-N 1 0 378.436 2.173 20 0 GEADRO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824936627 608528665 /nfs/dbraw/zinc/52/86/65/608528665.db2.gz KMPKVLDKBYEKGV-QAPCUYQASA-N 1 0 398.511 2.157 20 0 GEADRO CCCCc1nnc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000825296360 608532051 /nfs/dbraw/zinc/53/20/51/608532051.db2.gz GAEWQQDSYCUVEX-UHFFFAOYSA-N 1 0 398.496 2.278 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCc1ccc(Cl)cc1 ZINC000826412622 608532590 /nfs/dbraw/zinc/53/25/90/608532590.db2.gz VYPDPXKFMGZUNM-UHFFFAOYSA-N 1 0 396.882 2.458 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)[C@@H](C)C[N@@H+]1C ZINC000446300011 649976921 /nfs/dbraw/zinc/97/69/21/649976921.db2.gz XGDJWWNBQPGJHZ-UHIISALHSA-N 1 0 380.286 2.426 20 0 GEADRO C[S@](=O)C[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826224783 608580107 /nfs/dbraw/zinc/58/01/07/608580107.db2.gz LOLFNZQMYQXOMI-MYUZEXMDSA-N 1 0 385.493 2.345 20 0 GEADRO O=C(CC[NH+]1CCC(c2cccnc2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407401 608583676 /nfs/dbraw/zinc/58/36/76/608583676.db2.gz LZPXFKFNMFKQCN-UHFFFAOYSA-N 1 0 377.452 2.470 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(c2cccnc2)CC1 ZINC000824046254 608584004 /nfs/dbraw/zinc/58/40/04/608584004.db2.gz RPSHWWMVSHSBAM-CQSZACIVSA-N 1 0 377.452 2.468 20 0 GEADRO COc1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000826179481 608587639 /nfs/dbraw/zinc/58/76/39/608587639.db2.gz PTNRICNHIVCXLE-KSSFIOAISA-N 1 0 395.463 2.267 20 0 GEADRO C[C@]1(CCCO)CCC[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824817645 608641602 /nfs/dbraw/zinc/64/16/02/608641602.db2.gz PYULUGYTVVJREE-QGZVFWFLSA-N 1 0 378.864 2.086 20 0 GEADRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825232862 608656038 /nfs/dbraw/zinc/65/60/38/608656038.db2.gz LEDNOGODJXESBO-GDBMZVCRSA-N 1 0 396.499 2.031 20 0 GEADRO Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)n1 ZINC000826299597 608664144 /nfs/dbraw/zinc/66/41/44/608664144.db2.gz MCVBBPIOJRIBGP-OAHLLOKOSA-N 1 0 389.467 2.152 20 0 GEADRO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000825937360 608717152 /nfs/dbraw/zinc/71/71/52/608717152.db2.gz AUDLUQRGCNHYFJ-UHFFFAOYSA-N 1 0 383.525 2.182 20 0 GEADRO CCOC(=O)CCC1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825506197 608741121 /nfs/dbraw/zinc/74/11/21/608741121.db2.gz HIINCBICXWOZCV-UHFFFAOYSA-N 1 0 383.456 2.070 20 0 GEADRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826051308 608751663 /nfs/dbraw/zinc/75/16/63/608751663.db2.gz KEGVZDCMDVJDGQ-OAHLLOKOSA-N 1 0 394.479 2.260 20 0 GEADRO FC(F)Oc1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000826369454 608769025 /nfs/dbraw/zinc/76/90/25/608769025.db2.gz DGZPNYQETVTGSS-UHFFFAOYSA-N 1 0 387.394 2.185 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1-c1nn[nH]n1 ZINC000824329377 608815782 /nfs/dbraw/zinc/81/57/82/608815782.db2.gz NVECQCYGLRHTLC-UKRRQHHQSA-N 1 0 385.472 2.354 20 0 GEADRO c1ccc(C[N@@H+]2CC[C@H](N3CCN(c4ccccc4-c4nn[nH]n4)CC3)C2)cc1 ZINC000826521751 608873139 /nfs/dbraw/zinc/87/31/39/608873139.db2.gz XQBVARUEYIDVCF-IBGZPJMESA-N 1 0 389.507 2.263 20 0 GEADRO NC(=O)[C@@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389208 608886347 /nfs/dbraw/zinc/88/63/47/608886347.db2.gz SAFXVKWESYFZBI-KRWDZBQOSA-N 1 0 380.427 2.145 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824612987 609133468 /nfs/dbraw/zinc/13/34/68/609133468.db2.gz QOLYDDOGOHKEAK-LBPRGKRZSA-N 1 0 389.456 2.401 20 0 GEADRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825471579 609133515 /nfs/dbraw/zinc/13/35/15/609133515.db2.gz XHWXJYBYNPECCC-CYBMUJFWSA-N 1 0 398.442 2.372 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000446405027 649979410 /nfs/dbraw/zinc/97/94/10/649979410.db2.gz ICLAWCCEWZRQJH-BZUAXINKSA-N 1 0 382.302 2.403 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(CO)c1 ZINC000824547465 609168925 /nfs/dbraw/zinc/16/89/25/609168925.db2.gz OPASWIOQLKMUEL-IFXJQAMLSA-N 1 0 392.463 2.205 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cncc(F)c1 ZINC000824548055 609169027 /nfs/dbraw/zinc/16/90/27/609169027.db2.gz USJZMOHZGDMCKH-SJCJKPOMSA-N 1 0 381.415 2.247 20 0 GEADRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826314786 609169321 /nfs/dbraw/zinc/16/93/21/609169321.db2.gz MMMZSCSLQSWSEO-RDTXWAMCSA-N 1 0 377.452 2.416 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000826519463 609188601 /nfs/dbraw/zinc/18/86/01/609188601.db2.gz ZOASYYNNMWELAR-INIZCTEOSA-N 1 0 383.456 2.070 20 0 GEADRO CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000825376553 609222122 /nfs/dbraw/zinc/22/21/22/609222122.db2.gz JLJDZXIIRDWMKO-YOEHRIQHSA-N 1 0 379.468 2.492 20 0 GEADRO c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(Nc2cnc3c(c2)COCC3)CC1 ZINC000826514640 609256860 /nfs/dbraw/zinc/25/68/60/609256860.db2.gz XPNSDCFCKYLAMN-UHFFFAOYSA-N 1 0 391.479 2.411 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCc1ccc(O)cc1 ZINC000825865972 609268572 /nfs/dbraw/zinc/26/85/72/609268572.db2.gz NWVJNQHTPITAAA-UHFFFAOYSA-N 1 0 394.479 2.095 20 0 GEADRO O[C@@]1(c2ccc(F)cc2)CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826505957 609282262 /nfs/dbraw/zinc/28/22/62/609282262.db2.gz JECHFAFTRWIYAQ-FQEVSTJZSA-N 1 0 383.427 2.368 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H](F)Cc1ccccc1 ZINC000825865794 609314630 /nfs/dbraw/zinc/31/46/30/609314630.db2.gz LEFPYIVTJDQYTM-LJQANCHMSA-N 1 0 396.470 2.338 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617626 609331123 /nfs/dbraw/zinc/33/11/23/609331123.db2.gz ITXBCSWMGQCMGS-LLVKDONJSA-N 1 0 390.444 2.228 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554896 609334330 /nfs/dbraw/zinc/33/43/30/609334330.db2.gz SNUZLKRUBCIAPN-OCCSQVGLSA-N 1 0 395.442 2.034 20 0 GEADRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826181301 609336317 /nfs/dbraw/zinc/33/63/17/609336317.db2.gz TXSIGTRVULMYIH-BBATYDOGSA-N 1 0 387.415 2.407 20 0 GEADRO C[C@H]1CCCN(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824946717 609336735 /nfs/dbraw/zinc/33/67/35/609336735.db2.gz JZWNOCSQXOLJQA-HNNXBMFYSA-N 1 0 380.500 2.089 20 0 GEADRO CCOc1ncccc1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825659353 609336967 /nfs/dbraw/zinc/33/69/67/609336967.db2.gz QHMWTRHZUPTSDY-UHFFFAOYSA-N 1 0 390.451 2.351 20 0 GEADRO CC(C)C[C@@H](CCO)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824235803 609340879 /nfs/dbraw/zinc/34/08/79/609340879.db2.gz KDLTXUKVSPMRPR-OAHLLOKOSA-N 1 0 383.500 2.402 20 0 GEADRO Cc1cccc(NCC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826299383 609341734 /nfs/dbraw/zinc/34/17/34/609341734.db2.gz BRCGMVCSRYHODI-UHFFFAOYSA-N 1 0 389.467 2.172 20 0 GEADRO Cn1cc(C[NH2+]CC2(CO)CCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361007 609341890 /nfs/dbraw/zinc/34/18/90/609341890.db2.gz HDQUVSPKXMUVRK-UHFFFAOYSA-N 1 0 381.484 2.300 20 0 GEADRO Cn1cc(C[NH2+]CCCC(=O)OC(C)(C)C)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361906 609342332 /nfs/dbraw/zinc/34/23/32/609342332.db2.gz VLBUIXYPMRJDJV-UHFFFAOYSA-N 1 0 397.483 2.479 20 0 GEADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545573 609343491 /nfs/dbraw/zinc/34/34/91/609343491.db2.gz DDGIKPRZNMKKQR-AGRHKRQWSA-N 1 0 388.491 2.424 20 0 GEADRO CC(C)C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000824261322 609355529 /nfs/dbraw/zinc/35/55/29/609355529.db2.gz IEUPXHKPPBLXCB-UHFFFAOYSA-N 1 0 379.306 2.403 20 0 GEADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC000826508982 609386603 /nfs/dbraw/zinc/38/66/03/609386603.db2.gz IFZOQGIPJHAQTC-MRXNPFEDSA-N 1 0 399.886 2.484 20 0 GEADRO C[NH+](C)CC[C@H](N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(C)(C)C ZINC000825860800 609407956 /nfs/dbraw/zinc/40/79/56/609407956.db2.gz XEAVKULCUDJVCE-MSOLQXFVSA-N 1 0 399.543 2.318 20 0 GEADRO COCc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826164582 609412677 /nfs/dbraw/zinc/41/26/77/609412677.db2.gz HUHVUOJKFHZTJV-IBGZPJMESA-N 1 0 392.463 2.298 20 0 GEADRO O=C1[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476791 609417821 /nfs/dbraw/zinc/41/78/21/609417821.db2.gz PJFXJLPXKRUAOQ-SJLPKXTDSA-N 1 0 396.495 2.444 20 0 GEADRO C(=C\c1ccccc1)\C[NH+]1CCN(c2nc3ccccn3c2-c2nn[nH]n2)CC1 ZINC000823861452 609454212 /nfs/dbraw/zinc/45/42/12/609454212.db2.gz JDGDOHJPQUYOGK-TWGQIWQCSA-N 1 0 386.463 2.350 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ncc1Br ZINC000446476060 649981749 /nfs/dbraw/zinc/98/17/49/649981749.db2.gz GKPRRXCCHJUVJI-QWHCGFSZSA-N 1 0 397.317 2.470 20 0 GEADRO Cc1ccncc1C=CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826315539 609500648 /nfs/dbraw/zinc/50/06/48/609500648.db2.gz MEHQWURWMMTJKS-FPLPWBNLSA-N 1 0 391.479 2.174 20 0 GEADRO Cc1noc(C2CC2)c1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826339413 609501090 /nfs/dbraw/zinc/50/10/90/609501090.db2.gz CXHKELSDDMUMCR-UHFFFAOYSA-N 1 0 395.467 2.245 20 0 GEADRO CC(C)(C)OC(=O)CCC[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000824099346 609512979 /nfs/dbraw/zinc/51/29/79/609512979.db2.gz FMJXAHCNFYRDME-UHFFFAOYSA-N 1 0 390.463 2.250 20 0 GEADRO Cc1c(Cl)cnc(NC2CC[NH+](C3CCN(C)CC3)CC2)c1-c1nn[nH]n1 ZINC000826238420 609542189 /nfs/dbraw/zinc/54/21/89/609542189.db2.gz GBRGRRUDLWCEQT-UHFFFAOYSA-N 1 0 390.923 2.194 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)C1CC1 ZINC000446541803 649983289 /nfs/dbraw/zinc/98/32/89/649983289.db2.gz SZZMHNFMOUKLOA-INIZCTEOSA-N 1 0 394.313 2.333 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000447242308 650002957 /nfs/dbraw/zinc/00/29/57/650002957.db2.gz FXGDGFQOWKQZTC-WDEREUQCSA-N 1 0 377.304 2.206 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000447252035 650003674 /nfs/dbraw/zinc/00/36/74/650003674.db2.gz WVOLFQONBXPIAH-RDDDGLTNSA-N 1 0 387.221 2.436 20 0 GEADRO Cc1nn(C)c(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000447930080 650010930 /nfs/dbraw/zinc/01/09/30/650010930.db2.gz KODUGTQGQXFJDC-GOSISDBHSA-N 1 0 393.329 2.218 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1Br ZINC000448322984 650015393 /nfs/dbraw/zinc/01/53/93/650015393.db2.gz VANALZVTSZZGGH-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000448596184 650017527 /nfs/dbraw/zinc/01/75/27/650017527.db2.gz KNSJBALIYVMTFI-UHFFFAOYSA-N 1 0 397.292 2.437 20 0 GEADRO CN1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1=O ZINC000448816212 650022158 /nfs/dbraw/zinc/02/21/58/650022158.db2.gz NIXUKADFKYMILS-MRXNPFEDSA-N 1 0 396.329 2.208 20 0 GEADRO CCn1nnc(C)c1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000449109611 650031821 /nfs/dbraw/zinc/03/18/21/650031821.db2.gz XAPZNZJEAKNUGS-UHFFFAOYSA-N 1 0 380.290 2.279 20 0 GEADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449121843 650032026 /nfs/dbraw/zinc/03/20/26/650032026.db2.gz JKMMURVCHROKNT-INIZCTEOSA-N 1 0 391.313 2.427 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)[C@@H](C)O1 ZINC000449128031 650032267 /nfs/dbraw/zinc/03/22/67/650032267.db2.gz XKMPBKNRBUZHEY-ZSEWYUTFSA-N 1 0 391.249 2.186 20 0 GEADRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449089699 650031564 /nfs/dbraw/zinc/03/15/64/650031564.db2.gz DZINYMBRRLWOEH-HNNXBMFYSA-N 1 0 381.519 2.257 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(C)CCOC1 ZINC000449145696 650032968 /nfs/dbraw/zinc/03/29/68/650032968.db2.gz AGARBBDWABYVJY-SJCJKPOMSA-N 1 0 385.302 2.479 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000449252844 650036012 /nfs/dbraw/zinc/03/60/12/650036012.db2.gz TXBUXFCBTSEARM-WFASDCNBSA-N 1 0 399.285 2.031 20 0 GEADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449375640 650039140 /nfs/dbraw/zinc/03/91/40/650039140.db2.gz JCMZGTRIMYWXIH-LBPRGKRZSA-N 1 0 399.310 2.365 20 0 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386.901 2.151 20 0 GEADRO COc1ccc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(Br)c1OC ZINC000451665032 650130788 /nfs/dbraw/zinc/13/07/88/650130788.db2.gz MMVXWQHJWLYLBI-BETUJISGSA-N 1 0 387.318 2.353 20 0 GEADRO O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451666764 650131143 /nfs/dbraw/zinc/13/11/43/650131143.db2.gz HSXOOUKFRQDFGK-LBPRGKRZSA-N 1 0 381.325 2.260 20 0 GEADRO CC[C@H]1C[N@H+](CC)CCN1Cc1nnnn1-c1ccccc1Br ZINC000451730566 650136640 /nfs/dbraw/zinc/13/66/40/650136640.db2.gz PEANGMFNXQEAGA-ZDUSSCGKSA-N 1 0 379.306 2.341 20 0 GEADRO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000451969803 650159198 /nfs/dbraw/zinc/15/91/98/650159198.db2.gz AZWNOUYZJGQALV-CQSZACIVSA-N 1 0 378.897 2.209 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000452050675 650169139 /nfs/dbraw/zinc/16/91/39/650169139.db2.gz RUJNRBFYEHYIEP-UHFFFAOYSA-N 1 0 375.485 2.319 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000452100281 650173486 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Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000452378809 650183027 /nfs/dbraw/zinc/18/30/27/650183027.db2.gz XZDYJRBDRSAGEK-HUUCEWRRSA-N 1 0 399.329 2.488 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000452393762 650184195 /nfs/dbraw/zinc/18/41/95/650184195.db2.gz UBBMWDNRWGZFNH-GJZGRUSLSA-N 1 0 399.329 2.488 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452847493 650199533 /nfs/dbraw/zinc/19/95/33/650199533.db2.gz NGFXQGCUHBXHCW-WBVHZDCISA-N 1 0 378.314 2.155 20 0 GEADRO COc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(I)c1 ZINC000452975044 650202072 /nfs/dbraw/zinc/20/20/72/650202072.db2.gz MVXIPUZBLYFTHQ-IINYFYTJSA-N 1 0 386.233 2.076 20 0 GEADRO C[N@H+](C[C@@H](O)CN1C(=O)C[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000453025282 650204207 /nfs/dbraw/zinc/20/42/07/650204207.db2.gz DNFXVEKHFYLNHZ-FZKQIMNGSA-N 1 0 385.291 2.465 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)C[C@@H]21 ZINC000453026086 650204229 /nfs/dbraw/zinc/20/42/29/650204229.db2.gz FKQUCRFJYNJJHZ-KGLIPLIRSA-N 1 0 381.929 2.416 20 0 GEADRO COC1([C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)CCOCC1 ZINC000453147230 650206476 /nfs/dbraw/zinc/20/64/76/650206476.db2.gz PZQXDETYJRWIBL-CYBMUJFWSA-N 1 0 385.302 2.353 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000453214875 650207030 /nfs/dbraw/zinc/20/70/30/650207030.db2.gz IILKLDOOAQLNPG-ZWKOTPCHSA-N 1 0 386.945 2.301 20 0 GEADRO CC[C@H]([NH2+]CC[C@](C)(O)COC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453246728 650207229 /nfs/dbraw/zinc/20/72/29/650207229.db2.gz CZWCQICHHNWLHT-HOCLYGCPSA-N 1 0 378.922 2.076 20 0 GEADRO COC[C@@](C)(O)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453267425 650207370 /nfs/dbraw/zinc/20/73/70/650207370.db2.gz YNTINESOAINOAE-ZFWWWQNUSA-N 1 0 392.315 2.045 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000453278627 650207546 /nfs/dbraw/zinc/20/75/46/650207546.db2.gz PONFROJPVGPYBG-PGUXBMHVSA-N 1 0 382.309 2.288 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000453278629 650207571 /nfs/dbraw/zinc/20/75/71/650207571.db2.gz PONFROJPVGPYBG-RWSFTLGLSA-N 1 0 382.309 2.288 20 0 GEADRO CC[C@H](Cn1cncn1)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000453364634 650208460 /nfs/dbraw/zinc/20/84/60/650208460.db2.gz LLQMGHCSKAYTKS-SWLSCSKDSA-N 1 0 385.281 2.399 20 0 GEADRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453360216 650208614 /nfs/dbraw/zinc/20/86/14/650208614.db2.gz KNJACCFBFUCPMY-XDTLVQLUSA-N 1 0 379.320 2.297 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c1Br ZINC000453603823 650210213 /nfs/dbraw/zinc/21/02/13/650210213.db2.gz VGJMKFMBBFAKQV-SECBINFHSA-N 1 0 376.682 2.416 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000453634537 650211143 /nfs/dbraw/zinc/21/11/43/650211143.db2.gz KAYAZABPYRWDDM-LLVKDONJSA-N 1 0 391.269 2.098 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000453740075 650221622 /nfs/dbraw/zinc/22/16/22/650221622.db2.gz DPOCPMPMWOAYID-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC[N@@H+](C2CC2)C1 ZINC000453768245 650224649 /nfs/dbraw/zinc/22/46/49/650224649.db2.gz LTJBJUBZQGDCFD-NSHDSACASA-N 1 0 398.276 2.469 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2F)CC[N@@H+](C2CC2)C1 ZINC000453770478 650225219 /nfs/dbraw/zinc/22/52/19/650225219.db2.gz RNNXBUQBLNKQNA-NSHDSACASA-N 1 0 398.276 2.469 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000453954072 650239790 /nfs/dbraw/zinc/23/97/90/650239790.db2.gz DUTYMLBOZQYYJY-VIFPVBQESA-N 1 0 376.682 2.416 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000454081236 650251147 /nfs/dbraw/zinc/25/11/47/650251147.db2.gz CJJSLDKITMBYJF-LBPRGKRZSA-N 1 0 398.301 2.337 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000454086652 650251662 /nfs/dbraw/zinc/25/16/62/650251662.db2.gz GMAIAPALZUXBBP-GFCCVEGCSA-N 1 0 383.290 2.032 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000454106807 650253778 /nfs/dbraw/zinc/25/37/78/650253778.db2.gz RESUHRQIMWRZNJ-LBPRGKRZSA-N 1 0 386.265 2.468 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000455013468 650287061 /nfs/dbraw/zinc/28/70/61/650287061.db2.gz XPLGDUDQIGPSTO-CQSZACIVSA-N 1 0 376.284 2.048 20 0 GEADRO COc1cc(Br)cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000455043559 650288230 /nfs/dbraw/zinc/28/82/30/650288230.db2.gz HFCIVMCYLAIZFB-AWEZNQCLSA-N 1 0 386.290 2.426 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000455372136 650301012 /nfs/dbraw/zinc/30/10/12/650301012.db2.gz JFHGDZBIAMNSQX-AWEZNQCLSA-N 1 0 392.301 2.256 20 0 GEADRO Cc1csc([C@H](NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C(F)(F)F)n1 ZINC000455706956 650313531 /nfs/dbraw/zinc/31/35/31/650313531.db2.gz PSIDWDMEDFAQEP-TUAOUCFPSA-N 1 0 380.436 2.151 20 0 GEADRO COc1cc(I)ccc1NC(=O)N1CC([NH+](C)C)C1 ZINC000455738038 650315164 /nfs/dbraw/zinc/31/51/64/650315164.db2.gz QWPQKTZPLKKWFK-UHFFFAOYSA-N 1 0 375.210 2.078 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455861021 650323102 /nfs/dbraw/zinc/32/31/02/650323102.db2.gz MLRYEGIQOALXQX-LLVKDONJSA-N 1 0 383.294 2.734 20 0 GEADRO O=C(NCCCCC[NH+]1CCCC1)Nc1nc2cc(Br)ccn2n1 ZINC000455862031 650323278 /nfs/dbraw/zinc/32/32/78/650323278.db2.gz OEEUJIXLGABFNP-UHFFFAOYSA-N 1 0 395.305 2.879 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000455800988 650318932 /nfs/dbraw/zinc/31/89/32/650318932.db2.gz MHFMXTDLWGXVDT-NSHDSACASA-N 1 0 385.306 2.461 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000455834575 650320732 /nfs/dbraw/zinc/32/07/32/650320732.db2.gz LFSDHZPTWGKOPV-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(I)cn1 ZINC000456019122 650327632 /nfs/dbraw/zinc/32/76/32/650327632.db2.gz GSLSKQZOPXFCBF-ZDUSSCGKSA-N 1 0 385.249 2.433 20 0 GEADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456209600 650334318 /nfs/dbraw/zinc/33/43/18/650334318.db2.gz VSELNKZRLVICSO-ZDUSSCGKSA-N 1 0 389.949 2.243 20 0 GEADRO C[C@@H]1CN(C(=O)CCc2cc(Br)ccc2F)C[C@H](C)[N@H+]1CCO ZINC000456218281 650334327 /nfs/dbraw/zinc/33/43/27/650334327.db2.gz YURDMPIYGIKTKO-BETUJISGSA-N 1 0 387.293 2.434 20 0 GEADRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456480301 650342243 /nfs/dbraw/zinc/34/22/43/650342243.db2.gz GDOUOUVYGCSKHQ-GFCCVEGCSA-N 1 0 375.282 2.196 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc1Br ZINC000456512302 650345938 /nfs/dbraw/zinc/34/59/38/650345938.db2.gz ZXWBELOXSCHKPZ-BPUTZDHNSA-N 1 0 383.330 2.222 20 0 GEADRO O=C(CCCC(=O)c1ccc(Br)cc1)NCCN1CCC(O)CC1 ZINC000456587857 650350114 /nfs/dbraw/zinc/35/01/14/650350114.db2.gz VTTXLICVKLNPGG-UHFFFAOYSA-N 1 0 397.313 2.375 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)c1ccc(Br)c(Cl)c1F ZINC000456589689 650350175 /nfs/dbraw/zinc/35/01/75/650350175.db2.gz ZHYCCNLCBBTUMJ-UHFFFAOYSA-N 1 0 379.657 2.428 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC000456707210 650355841 /nfs/dbraw/zinc/35/58/41/650355841.db2.gz BNSWLWGWLQEQLQ-ZDUSSCGKSA-N 1 0 387.318 2.065 20 0 GEADRO CN(CC(=O)NC(C)(C)C[NH+]1CCCC1)C(=O)c1ccc(Br)o1 ZINC000457047762 650372627 /nfs/dbraw/zinc/37/26/27/650372627.db2.gz ICOWRKWMJOIKDO-UHFFFAOYSA-N 1 0 386.290 2.105 20 0 GEADRO COc1c(Br)cccc1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500537643 650380225 /nfs/dbraw/zinc/38/02/25/650380225.db2.gz UIVPCRQGGNFWOH-RISCZKNCSA-N 1 0 391.331 2.265 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC(C)(C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000457218801 650374452 /nfs/dbraw/zinc/37/44/52/650374452.db2.gz IVUDLZCDOAGUEF-OAHLLOKOSA-N 1 0 384.318 2.473 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000500555298 650380485 /nfs/dbraw/zinc/38/04/85/650380485.db2.gz CLJBNMWRNZPDBE-WMLDXEAASA-N 1 0 382.917 2.333 20 0 GEADRO CCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2cccc(Br)c2)C1 ZINC000500467690 650378256 /nfs/dbraw/zinc/37/82/56/650378256.db2.gz UOSATSSURCIWRE-GJZGRUSLSA-N 1 0 385.302 2.179 20 0 GEADRO CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000500471983 650378548 /nfs/dbraw/zinc/37/85/48/650378548.db2.gz VNJLVXUXUJMQDG-LSDHHAIUSA-N 1 0 385.302 2.179 20 0 GEADRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1OC(F)F ZINC000500496928 650379473 /nfs/dbraw/zinc/37/94/73/650379473.db2.gz JHOLSQWNDOWTFB-WCQYABFASA-N 1 0 378.441 2.104 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000500496949 650379594 /nfs/dbraw/zinc/37/95/94/650379594.db2.gz JKNHWPQCXMNLGY-FZMZJTMJSA-N 1 0 379.295 2.396 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)ccc1F ZINC000500596658 650381242 /nfs/dbraw/zinc/38/12/42/650381242.db2.gz XNSLPAJBANTOHV-STQMWFEESA-N 1 0 377.279 2.493 20 0 GEADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc(Br)co1 ZINC000457681194 650382738 /nfs/dbraw/zinc/38/27/38/650382738.db2.gz HVKFBMVVWANRPS-LSDHHAIUSA-N 1 0 379.254 2.407 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C[C@H]1C ZINC000500937335 650385197 /nfs/dbraw/zinc/38/51/97/650385197.db2.gz UKFIEROMJPZDLJ-DGCLKSJQSA-N 1 0 385.921 2.184 20 0 GEADRO CC(C)OC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000501449706 650392488 /nfs/dbraw/zinc/39/24/88/650392488.db2.gz ZNTOWMJEIKTOIV-TZMCWYRMSA-N 1 0 393.265 2.434 20 0 GEADRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000501543807 650394687 /nfs/dbraw/zinc/39/46/87/650394687.db2.gz AYADCBSRHFZSGE-CJNGLKHVSA-N 1 0 396.329 2.415 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000458104478 650395405 /nfs/dbraw/zinc/39/54/05/650395405.db2.gz YVCBBZPKWFZEOA-GLQYFDAESA-N 1 0 385.306 2.314 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000501636525 650395936 /nfs/dbraw/zinc/39/59/36/650395936.db2.gz MFKBJBDHRLZIBJ-UHFFFAOYSA-N 1 0 396.289 2.238 20 0 GEADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458290562 650399727 /nfs/dbraw/zinc/39/97/27/650399727.db2.gz ROVZOYFKMMMXLQ-INIZCTEOSA-N 1 0 387.571 2.056 20 0 GEADRO C[C@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[S@@]1=O ZINC000458378730 650401357 /nfs/dbraw/zinc/40/13/57/650401357.db2.gz GFTJOWDAFNMRQL-LMKMVOKYSA-N 1 0 387.615 2.291 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000502606571 650409197 /nfs/dbraw/zinc/40/91/97/650409197.db2.gz VHHDVCZHOWRGHH-OAHLLOKOSA-N 1 0 378.300 2.294 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000502214484 650403638 /nfs/dbraw/zinc/40/36/38/650403638.db2.gz AGFYYXXLLVOAFQ-UHFFFAOYSA-N 1 0 383.436 2.177 20 0 GEADRO Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1Br ZINC000458677291 650406905 /nfs/dbraw/zinc/40/69/05/650406905.db2.gz CWOBWRCDEFPQQN-OAHLLOKOSA-N 1 0 384.318 2.404 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1nc(C(F)(F)F)cs1 ZINC000458731235 650409855 /nfs/dbraw/zinc/40/98/55/650409855.db2.gz VVMRRGDKBVHFPM-WDEREUQCSA-N 1 0 380.436 2.369 20 0 GEADRO CC[N@H+](CCNC(=O)N1CC[C@H]([C@@H](O)C(F)(F)F)C1)CCC(F)(F)F ZINC000458706099 650408430 /nfs/dbraw/zinc/40/84/30/650408430.db2.gz CLWRVRADJWYCLV-WDEREUQCSA-N 1 0 379.345 2.215 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cn1 ZINC000458734310 650410120 /nfs/dbraw/zinc/41/01/20/650410120.db2.gz JTWJNWBHDDVVCN-OCCSQVGLSA-N 1 0 385.306 2.051 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(C)c2Br)C[C@H]1[NH+](C)C ZINC000503218555 650416275 /nfs/dbraw/zinc/41/62/75/650416275.db2.gz DAIPPILKKUGQDZ-VXGBXAGGSA-N 1 0 393.372 2.424 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000503067443 650414172 /nfs/dbraw/zinc/41/41/72/650414172.db2.gz RTCPKNGGSUPWML-DOMZBBRYSA-N 1 0 392.301 2.475 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2C)C[C@H]1[NH+](C)C ZINC000503209585 650415697 /nfs/dbraw/zinc/41/56/97/650415697.db2.gz AQGRJRRDFJAGFK-NXEZZACHSA-N 1 0 399.401 2.485 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000459017074 650417343 /nfs/dbraw/zinc/41/73/43/650417343.db2.gz KRHFAQCNZDRBGT-UHFFFAOYSA-N 1 0 394.317 2.456 20 0 GEADRO CNC(=O)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000459045849 650418235 /nfs/dbraw/zinc/41/82/35/650418235.db2.gz BFEQFNRGUMKSRW-CYBMUJFWSA-N 1 0 399.333 2.047 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000503468037 650418268 /nfs/dbraw/zinc/41/82/68/650418268.db2.gz HSFLLJCCWVMERK-CQSZACIVSA-N 1 0 387.571 2.238 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@H](C)[NH+](C)C ZINC000459072079 650418391 /nfs/dbraw/zinc/41/83/91/650418391.db2.gz YTMFEFNQXAVWTI-GXTWGEPZSA-N 1 0 386.334 2.158 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1cccc(O)c1Br ZINC000459399372 650423816 /nfs/dbraw/zinc/42/38/16/650423816.db2.gz LQIQCQQTFHVQSC-AWEZNQCLSA-N 1 0 384.318 2.187 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cn2cccnc2n1)Cc1ccc(Br)cc1 ZINC000459509584 650426690 /nfs/dbraw/zinc/42/66/90/650426690.db2.gz NTCJJQOLOTXMJX-CQSZACIVSA-N 1 0 375.270 2.433 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@H](C)C1 ZINC000504139591 650427728 /nfs/dbraw/zinc/42/77/28/650427728.db2.gz FUGMPSIFHPDRDY-UTJXIGIESA-N 1 0 396.329 2.402 20 0 GEADRO CN(C[C@@H]1CCCN(Cc2cccc(O)c2Br)C1)S(C)(=O)=O ZINC000459547002 650428131 /nfs/dbraw/zinc/42/81/31/650428131.db2.gz VDDJJYJTTIINDP-LBPRGKRZSA-N 1 0 391.331 2.258 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459700142 650429927 /nfs/dbraw/zinc/42/99/27/650429927.db2.gz MNOUVJKFVDMGBI-AAEUAGOBSA-N 1 0 396.322 2.152 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](CO)c1ccnn1C ZINC000459702800 650429998 /nfs/dbraw/zinc/42/99/98/650429998.db2.gz FVXBZGAZKVBKPV-FZMZJTMJSA-N 1 0 381.274 2.223 20 0 GEADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+]C1(CO)CCSCC1 ZINC000459702654 650430002 /nfs/dbraw/zinc/43/00/02/650430002.db2.gz RITPVACZOMPUFT-UHFFFAOYSA-N 1 0 386.539 2.328 20 0 GEADRO COCCNC(=O)C1([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000459759144 650432322 /nfs/dbraw/zinc/43/23/22/650432322.db2.gz QVNBYBBLPXVPRZ-UHFFFAOYSA-N 1 0 393.228 2.435 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459781346 650432588 /nfs/dbraw/zinc/43/25/88/650432588.db2.gz NRDVYGIMJCXJOL-OWCLPIDISA-N 1 0 385.551 2.422 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000460279154 650441179 /nfs/dbraw/zinc/44/11/79/650441179.db2.gz XRPAGHGSFORNMJ-YOEHRIQHSA-N 1 0 384.318 2.136 20 0 GEADRO COCC[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000506644130 650448246 /nfs/dbraw/zinc/44/82/46/650448246.db2.gz ANFBPRFKVWMEPA-LBPRGKRZSA-N 1 0 379.320 2.132 20 0 GEADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1cnccn1 ZINC000506639058 650448273 /nfs/dbraw/zinc/44/82/73/650448273.db2.gz GZVRXJQSCPXLLQ-LBPRGKRZSA-N 1 0 399.314 2.258 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000461614871 650456846 /nfs/dbraw/zinc/45/68/46/650456846.db2.gz BPYYNHYXSRBLHI-CYBMUJFWSA-N 1 0 384.318 2.416 20 0 GEADRO COCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000507264109 650457831 /nfs/dbraw/zinc/45/78/31/650457831.db2.gz CQYCDQOKLMTWQD-GFCCVEGCSA-N 1 0 379.320 2.050 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000507378329 650459499 /nfs/dbraw/zinc/45/94/99/650459499.db2.gz KOFUOCGKXMSYHB-CQSZACIVSA-N 1 0 386.290 2.150 20 0 GEADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000461899970 650462269 /nfs/dbraw/zinc/46/22/69/650462269.db2.gz JHPRADAOTGSSPE-DOMZBBRYSA-N 1 0 388.917 2.113 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000461899856 650462275 /nfs/dbraw/zinc/46/22/75/650462275.db2.gz KBMRHLCBLYMIKL-SMDDNHRTSA-N 1 0 389.880 2.104 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000461905654 650462298 /nfs/dbraw/zinc/46/22/98/650462298.db2.gz BKGOWHHUTCZLBB-AWEZNQCLSA-N 1 0 376.906 2.113 20 0 GEADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)s1 ZINC000462101947 650468262 /nfs/dbraw/zinc/46/82/62/650468262.db2.gz ASWXWQMQPNXNNL-NSHDSACASA-N 1 0 386.461 2.282 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000462105433 650468844 /nfs/dbraw/zinc/46/88/44/650468844.db2.gz VOFQTANUMTYTIS-UHFFFAOYSA-N 1 0 386.461 2.498 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)CCc2ccccc2Br)CC[N@@H+]1C ZINC000462111805 650469449 /nfs/dbraw/zinc/46/94/49/650469449.db2.gz NYYUEYIXLAZUHX-GXTWGEPZSA-N 1 0 375.332 2.394 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)c1nc2ncc(Br)cn2n1 ZINC000508207840 650477456 /nfs/dbraw/zinc/47/74/56/650477456.db2.gz UZQCULFGVSHKGX-UHFFFAOYSA-N 1 0 383.294 2.081 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462414461 650478417 /nfs/dbraw/zinc/47/84/17/650478417.db2.gz XGZXQVXEKYCXJQ-BLLLJJGKSA-N 1 0 399.276 2.304 20 0 GEADRO CNS(=O)(=O)c1ccc(N2CC[NH+](CCc3cccs3)CC2)c(F)c1 ZINC000508279245 650479027 /nfs/dbraw/zinc/47/90/27/650479027.db2.gz MFXDXFWBQBGETK-UHFFFAOYSA-N 1 0 383.514 2.160 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000508340744 650479292 /nfs/dbraw/zinc/47/92/92/650479292.db2.gz RSZZARURIJINGL-KBPBESRZSA-N 1 0 396.329 2.416 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000462442412 650479586 /nfs/dbraw/zinc/47/95/86/650479586.db2.gz TZGNWAZGRFDIJJ-RYUDHWBXSA-N 1 0 376.320 2.385 20 0 GEADRO CN(C)S(=O)(=O)CC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000509020997 650486129 /nfs/dbraw/zinc/48/61/29/650486129.db2.gz HNROBJAVSLAPFK-UHFFFAOYSA-N 1 0 380.341 2.397 20 0 GEADRO CC1(c2cccc(Br)c2)CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000509078945 650486288 /nfs/dbraw/zinc/48/62/88/650486288.db2.gz NREBUYGHGAHZIZ-SFHVURJKSA-N 1 0 397.357 2.496 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000509473180 650494206 /nfs/dbraw/zinc/49/42/06/650494206.db2.gz VZBFLLTVAVLGHR-SECBINFHSA-N 1 0 383.297 2.399 20 0 GEADRO CC(C)(CCS(C)(=O)=O)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000464352212 650495476 /nfs/dbraw/zinc/49/54/76/650495476.db2.gz BXSPHZKMLIQSKW-UHFFFAOYSA-N 1 0 384.567 2.179 20 0 GEADRO COc1ccc(Br)cc1-c1nc(CN(CC[NH3+])CCO)cs1 ZINC000466986586 650500770 /nfs/dbraw/zinc/50/07/70/650500770.db2.gz FLEOVORQVMQHTF-UHFFFAOYSA-N 1 0 386.315 2.334 20 0 GEADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000509966306 650504623 /nfs/dbraw/zinc/50/46/23/650504623.db2.gz GPKMXZOMZURIAE-OAHLLOKOSA-N 1 0 389.949 2.291 20 0 GEADRO CCC[C@H]([NH2+]C(C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000509983273 650505036 /nfs/dbraw/zinc/50/50/36/650505036.db2.gz CMXFGYSEMKDBFW-AWEZNQCLSA-N 1 0 393.912 2.040 20 0 GEADRO CCC[C@H]([NH2+]C(C)C)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510081833 650506553 /nfs/dbraw/zinc/50/65/53/650506553.db2.gz BPFPXVJFFHNNCP-AWEZNQCLSA-N 1 0 393.912 2.040 20 0 GEADRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000510097474 650506627 /nfs/dbraw/zinc/50/66/27/650506627.db2.gz GYUGHYQFEGIEAK-UHFFFAOYSA-N 1 0 375.285 2.272 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C[C@H]1[NH+](C)C ZINC000469490688 650510497 /nfs/dbraw/zinc/51/04/97/650510497.db2.gz WJMVKVRDXSVETM-WDBKCZKBSA-N 1 0 380.286 2.283 20 0 GEADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510762580 650518433 /nfs/dbraw/zinc/51/84/33/650518433.db2.gz IDNBCVIEKPBGHX-IHRRRGAJSA-N 1 0 385.555 2.186 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000510981228 650522690 /nfs/dbraw/zinc/52/26/90/650522690.db2.gz DCCHYBLZODRACA-LBPRGKRZSA-N 1 0 381.420 2.175 20 0 GEADRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000511092528 650525811 /nfs/dbraw/zinc/52/58/11/650525811.db2.gz AQAPMYZRECVFBY-OAHLLOKOSA-N 1 0 380.432 2.484 20 0 GEADRO OC[C@H]([NH2+]Cc1ncc(Br)cc1Br)C1CCOCC1 ZINC000473983963 650526451 /nfs/dbraw/zinc/52/64/51/650526451.db2.gz OLLZORRLTQPJSU-ZDUSSCGKSA-N 1 0 394.107 2.484 20 0 GEADRO OC[C@@H]([NH2+]Cc1ncc(Br)cc1Br)C1CCOCC1 ZINC000473983960 650526475 /nfs/dbraw/zinc/52/64/75/650526475.db2.gz OLLZORRLTQPJSU-CYBMUJFWSA-N 1 0 394.107 2.484 20 0 GEADRO CN(C(=O)Cn1cc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475419764 650533043 /nfs/dbraw/zinc/53/30/43/650533043.db2.gz DCUPFPLHTJDXQT-MRXNPFEDSA-N 1 0 377.286 2.379 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000475414445 650533080 /nfs/dbraw/zinc/53/30/80/650533080.db2.gz OVSWPXDNCAAORC-ZSHCYNCHSA-N 1 0 382.302 2.167 20 0 GEADRO CN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)C1=O ZINC000511575307 650538929 /nfs/dbraw/zinc/53/89/29/650538929.db2.gz MFYLDXDMRQEVMN-YPMHNXCESA-N 1 0 391.693 2.005 20 0 GEADRO CCOc1cccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000512546285 650550390 /nfs/dbraw/zinc/55/03/90/650550390.db2.gz BSUADUUVBRXYDC-AWEZNQCLSA-N 1 0 381.523 2.342 20 0 GEADRO O=C(CCc1cc(F)ccc1Br)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512364627 650546809 /nfs/dbraw/zinc/54/68/09/650546809.db2.gz JKAGHLVBTMGUJJ-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO COc1ccc(CCC(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1Br ZINC000512365510 650546870 /nfs/dbraw/zinc/54/68/70/650546870.db2.gz ZUXNRAFGOOMAOX-HNNXBMFYSA-N 1 0 399.329 2.353 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000476273691 650547570 /nfs/dbraw/zinc/54/75/70/650547570.db2.gz HITPBQBFCZKBNR-AWEZNQCLSA-N 1 0 397.317 2.492 20 0 GEADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000512855725 650555368 /nfs/dbraw/zinc/55/53/68/650555368.db2.gz JDEFYIWREGWHRL-UHFFFAOYSA-N 1 0 390.292 2.465 20 0 GEADRO CCN1C[C@@H](C)[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000512869188 650555517 /nfs/dbraw/zinc/55/55/17/650555517.db2.gz OPAUNXPTYHKNHH-YPMHNXCESA-N 1 0 380.341 2.202 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1Br ZINC000513017219 650556632 /nfs/dbraw/zinc/55/66/32/650556632.db2.gz OAHJWKJGDBBLCA-CYBMUJFWSA-N 1 0 391.331 2.361 20 0 GEADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000513034475 650556925 /nfs/dbraw/zinc/55/69/25/650556925.db2.gz BFIQIVYYJPCPHN-LBPRGKRZSA-N 1 0 379.295 2.492 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000513463375 650563508 /nfs/dbraw/zinc/56/35/08/650563508.db2.gz LZXMLXVTHZLUCI-VXGBXAGGSA-N 1 0 399.333 2.114 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@H](C)CC[NH3+])C1 ZINC000477163857 650570240 /nfs/dbraw/zinc/57/02/40/650570240.db2.gz PAAUQOGZHZYDND-KGLIPLIRSA-N 1 0 396.329 2.463 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000477028016 650566538 /nfs/dbraw/zinc/56/65/38/650566538.db2.gz LXPKBXZIXVAEIP-ZDUSSCGKSA-N 1 0 384.318 2.254 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ncsc2Br)C1 ZINC000513651833 650567258 /nfs/dbraw/zinc/56/72/58/650567258.db2.gz FOEZCAJKJAVQNN-NSHDSACASA-N 1 0 376.320 2.479 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000477061014 650567314 /nfs/dbraw/zinc/56/73/14/650567314.db2.gz FHUXXVKNRCDGFB-NSHDSACASA-N 1 0 382.917 2.412 20 0 GEADRO C[C@H](CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1ccc(Br)cc1 ZINC000514614570 650575090 /nfs/dbraw/zinc/57/50/90/650575090.db2.gz LMPWHFRRADHXQX-OLZOCXBDSA-N 1 0 384.318 2.125 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@H]1SC ZINC000514658801 650575902 /nfs/dbraw/zinc/57/59/02/650575902.db2.gz YWRRFPDQTBIOHY-IXYNUQLISA-N 1 0 390.596 2.400 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000514672406 650576135 /nfs/dbraw/zinc/57/61/35/650576135.db2.gz OXQVJXSLJIVPAS-HZMBPMFUSA-N 1 0 397.324 2.376 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(Br)s2)[C@H](C)C1 ZINC000477847898 650580210 /nfs/dbraw/zinc/58/02/10/650580210.db2.gz JFHMREPDTFIYRX-NEPJUHHUSA-N 1 0 390.347 2.150 20 0 GEADRO COc1cc(CN2CCO[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000478053020 650582047 /nfs/dbraw/zinc/58/20/47/650582047.db2.gz JRWCLAKDKXWUCJ-SNVBAGLBSA-N 1 0 381.217 2.219 20 0 GEADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000514905823 650582996 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CC[N@H+](CCNS(=O)(=O)c1ccc(OC)cc1Br)C1CC1 ZINC000480535364 650624360 /nfs/dbraw/zinc/62/43/60/650624360.db2.gz IAQNXFAEVNRTFX-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000480571143 650624822 /nfs/dbraw/zinc/62/48/22/650624822.db2.gz HFFFERPMQOCXQG-RYUDHWBXSA-N 1 0 388.281 2.185 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1Cl ZINC000522967245 650629864 /nfs/dbraw/zinc/62/98/64/650629864.db2.gz RJASJRPPBXJLQH-UHFFFAOYSA-N 1 0 376.906 2.234 20 0 GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000480731394 650629879 /nfs/dbraw/zinc/62/98/79/650629879.db2.gz BSPYQOSSKNNLRG-NSHDSACASA-N 1 0 379.320 2.466 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000523205621 650632843 /nfs/dbraw/zinc/63/28/43/650632843.db2.gz KEFRVSAZWSBXCS-ZDUSSCGKSA-N 1 0 382.302 2.258 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000480855821 650634807 /nfs/dbraw/zinc/63/48/07/650634807.db2.gz JFSIAZSXFVJKSM-OTYXRUKQSA-N 1 0 377.279 2.349 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2Cl)CC1 ZINC000481012132 650639927 /nfs/dbraw/zinc/63/99/27/650639927.db2.gz YATADXFRVMNFCA-UHFFFAOYSA-N 1 0 387.933 2.181 20 0 GEADRO C[C@H](CNC(=O)C(C)(C)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000524420926 650641449 /nfs/dbraw/zinc/64/14/49/650641449.db2.gz MFHPLACZUSYATQ-CQSZACIVSA-N 1 0 382.346 2.479 20 0 GEADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000481340488 650644507 /nfs/dbraw/zinc/64/45/07/650644507.db2.gz NOLFMBGBRDESGX-CQSZACIVSA-N 1 0 393.372 2.473 20 0 GEADRO COc1ccc(Cl)cc1CS(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000481346540 650644669 /nfs/dbraw/zinc/64/46/69/650644669.db2.gz WSCKQGLDRDXAJD-HNNXBMFYSA-N 1 0 378.947 2.205 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000481487882 650647525 /nfs/dbraw/zinc/64/75/25/650647525.db2.gz BJMIOKDGECOTBL-UHFFFAOYSA-N 1 0 385.848 2.394 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000525292038 650653034 /nfs/dbraw/zinc/65/30/34/650653034.db2.gz QJCWTYLATMPODZ-NSHDSACASA-N 1 0 378.270 2.362 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000525292035 650653042 /nfs/dbraw/zinc/65/30/42/650653042.db2.gz QJCWTYLATMPODZ-LLVKDONJSA-N 1 0 378.270 2.362 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000525922192 650660716 /nfs/dbraw/zinc/66/07/16/650660716.db2.gz FTPMNXXYUWIYIL-LBPRGKRZSA-N 1 0 394.317 2.081 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000525395234 650654132 /nfs/dbraw/zinc/65/41/32/650654132.db2.gz WIYFCJUQJCIFNM-NSHDSACASA-N 1 0 380.436 2.318 20 0 GEADRO CC[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481919840 650656086 /nfs/dbraw/zinc/65/60/86/650656086.db2.gz IWDOTVPASINLLR-GDBMZVCRSA-N 1 0 390.933 2.076 20 0 GEADRO CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481914646 650656182 /nfs/dbraw/zinc/65/61/82/650656182.db2.gz STFWASFDXOHSTM-MRXNPFEDSA-N 1 0 387.933 2.300 20 0 GEADRO CC[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481919845 650656255 /nfs/dbraw/zinc/65/62/55/650656255.db2.gz IWDOTVPASINLLR-ZBFHGGJFSA-N 1 0 390.933 2.076 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000525805907 650658144 /nfs/dbraw/zinc/65/81/44/650658144.db2.gz UJSSPSNJGQJLNQ-ZDUSSCGKSA-N 1 0 382.302 2.027 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000525838428 650658759 /nfs/dbraw/zinc/65/87/59/650658759.db2.gz BCVKZORNWIEPOC-LBPRGKRZSA-N 1 0 382.302 2.408 20 0 GEADRO C[C@@H]1CN(CC[NH2+]Cc2c(F)ccc(I)c2F)CCO1 ZINC000525986222 650662278 /nfs/dbraw/zinc/66/22/78/650662278.db2.gz AXCMQPXVAMKSQU-SNVBAGLBSA-N 1 0 396.219 2.380 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482358922 650664601 /nfs/dbraw/zinc/66/46/01/650664601.db2.gz FJLWXJNEQBZMEU-KBPBESRZSA-N 1 0 378.826 2.488 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000526921064 650664769 /nfs/dbraw/zinc/66/47/69/650664769.db2.gz CDDRXVMRCLJCLW-UHFFFAOYSA-N 1 0 381.420 2.101 20 0 GEADRO Cc1nccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1Br ZINC000527088787 650668585 /nfs/dbraw/zinc/66/85/85/650668585.db2.gz VLOWBGPQAOTXNH-CYBMUJFWSA-N 1 0 385.306 2.149 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527061463 650667085 /nfs/dbraw/zinc/66/70/85/650667085.db2.gz CCMUULUZDFBWNT-UHFFFAOYSA-N 1 0 396.207 2.426 20 0 GEADRO CCOC[C@@H](O)C[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000482731021 650667375 /nfs/dbraw/zinc/66/73/75/650667375.db2.gz HPZJXBRTFGFJBG-HNNXBMFYSA-N 1 0 375.282 2.103 20 0 GEADRO CCn1cc(C[N@H+](CCO)CCC(=O)Nc2ccc(Br)cc2)cn1 ZINC000482873505 650670215 /nfs/dbraw/zinc/67/02/15/650670215.db2.gz WQCSDUIMEUAQKN-UHFFFAOYSA-N 1 0 395.301 2.489 20 0 GEADRO NC(=O)[C@H]([NH2+]CCCNC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000527193874 650670701 /nfs/dbraw/zinc/67/07/01/650670701.db2.gz 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ZINC000483566122 650679852 /nfs/dbraw/zinc/67/98/52/650679852.db2.gz VYMWKCUPNPPEGF-CHWSQXEVSA-N 1 0 398.301 2.057 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000483813681 650681961 /nfs/dbraw/zinc/68/19/61/650681961.db2.gz DCZUXTLVPPWXSG-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO COc1ccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c(Br)c1 ZINC000527755983 650682434 /nfs/dbraw/zinc/68/24/34/650682434.db2.gz ZSGINMNYFBPUEW-SFHVURJKSA-N 1 0 399.329 2.163 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cccc(Cl)c1Br ZINC000483910946 650682907 /nfs/dbraw/zinc/68/29/07/650682907.db2.gz XXFKLXRNJQZVAO-UHFFFAOYSA-N 1 0 397.660 2.086 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000484256595 650686581 /nfs/dbraw/zinc/68/65/81/650686581.db2.gz QOVVHOPHYCQAQF-NEPJUHHUSA-N 1 0 399.563 2.097 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000484611276 650687736 /nfs/dbraw/zinc/68/77/36/650687736.db2.gz BTCRJMTZAXXBQL-HUUCEWRRSA-N 1 0 375.296 2.436 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000528304256 650687926 /nfs/dbraw/zinc/68/79/26/650687926.db2.gz VOXFSSPSBOCMMD-RYUDHWBXSA-N 1 0 382.452 2.085 20 0 GEADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H]3C[C@]3(C)Br)cc21 ZINC000528311213 650688636 /nfs/dbraw/zinc/68/86/36/650688636.db2.gz KZEVYULWDKAGCU-BZNIZROVSA-N 1 0 382.258 2.268 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2Br)[C@@H](C)C1 ZINC000484718887 650689024 /nfs/dbraw/zinc/68/90/24/650689024.db2.gz KAMDYPHFDGDSBB-NWDGAFQWSA-N 1 0 388.281 2.185 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)c(Cl)cc21 ZINC000528337315 650689080 /nfs/dbraw/zinc/68/90/80/650689080.db2.gz XBXQLKPFMDUXMG-BXUZGUMPSA-N 1 0 385.917 2.010 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)COc1cccc(Cl)c1Cl ZINC000484756561 650689976 /nfs/dbraw/zinc/68/99/76/650689976.db2.gz NOTPWINQVPNEPT-OCVGTWLNSA-N 1 0 389.323 2.480 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)COc1cccc(Cl)c1Cl ZINC000484756559 650689983 /nfs/dbraw/zinc/68/99/83/650689983.db2.gz NOTPWINQVPNEPT-CLWVCHIJSA-N 1 0 389.323 2.480 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000528688135 650697853 /nfs/dbraw/zinc/69/78/53/650697853.db2.gz MADDSMHAXGOTPM-NSHDSACASA-N 1 0 384.267 2.348 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccsc2C(F)(F)F)CC1 ZINC000528415443 650692641 /nfs/dbraw/zinc/69/26/41/650692641.db2.gz SLUULESVVMGXIE-UHFFFAOYSA-N 1 0 375.416 2.147 20 0 GEADRO C[C@H]1[C@@H](NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCC[N@@H+]1C ZINC000485074845 650692917 /nfs/dbraw/zinc/69/29/17/650692917.db2.gz CAFQYWSSEWWECQ-JQWIXIFHSA-N 1 0 380.901 2.165 20 0 GEADRO C[N@H+](CCN1CCN(C(=O)[C@@H]2C[C@]2(C)Br)CC1)Cc1ccccc1 ZINC000528420612 650693100 /nfs/dbraw/zinc/69/31/00/650693100.db2.gz LLGYZKQBVILIBK-HKUYNNGSSA-N 1 0 394.357 2.436 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)C1 ZINC000528428810 650693521 /nfs/dbraw/zinc/69/35/21/650693521.db2.gz BCTFZTCAIGIBPE-CQSZACIVSA-N 1 0 385.917 2.012 20 0 GEADRO C[C@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1cc(F)c(Br)cc1F ZINC000528631961 650696817 /nfs/dbraw/zinc/69/68/17/650696817.db2.gz AVKOCNZRYVLBCD-JGVFFNPUSA-N 1 0 376.201 2.318 20 0 GEADRO OC[C@@]1([NH2+]C[C@H](O)c2ccccc2Br)COc2ccccc2C1 ZINC000528652947 650697256 /nfs/dbraw/zinc/69/72/56/650697256.db2.gz RHGROVSDURRJIP-FUHWJXTLSA-N 1 0 378.266 2.438 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCS(=O)(=O)C1 ZINC000485684572 650698689 /nfs/dbraw/zinc/69/86/89/650698689.db2.gz QRVLKCSJSBRBJP-LBPRGKRZSA-N 1 0 378.416 2.401 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2scc(Br)c2Br)C1 ZINC000529036644 650700270 /nfs/dbraw/zinc/70/02/70/650700270.db2.gz RZBSASISOLUFCS-NSHDSACASA-N 1 0 398.120 2.070 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000485831751 650701241 /nfs/dbraw/zinc/70/12/41/650701241.db2.gz VZJRZSAQYVONLI-WFASDCNBSA-N 1 0 384.307 2.476 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529323017 650702712 /nfs/dbraw/zinc/70/27/12/650702712.db2.gz CFLBNBXXXZYINE-XHDPSFHLSA-N 1 0 382.302 2.360 20 0 GEADRO [NH3+]CC1(NC(=O)N[C@H]2CCc3c2ccc(F)c3Br)CCOCC1 ZINC000529330766 650702830 /nfs/dbraw/zinc/70/28/30/650702830.db2.gz MOKGAPPBLBSPOM-ZDUSSCGKSA-N 1 0 386.265 2.383 20 0 GEADRO CC[NH+](CC)CCN(CCOC)c1ncccc1I ZINC000485977595 650704253 /nfs/dbraw/zinc/70/42/53/650704253.db2.gz IFQIDEVNIXWKHR-UHFFFAOYSA-N 1 0 377.270 2.481 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1Cl ZINC000529714878 650704922 /nfs/dbraw/zinc/70/49/22/650704922.db2.gz RBJKIOBRIXSXBI-CQSZACIVSA-N 1 0 385.917 2.124 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000486079226 650707115 /nfs/dbraw/zinc/70/71/15/650707115.db2.gz HTVYGNPLOSDFKD-GXTWGEPZSA-N 1 0 382.302 2.400 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc(F)c(Br)cc1F ZINC000529878100 650708302 /nfs/dbraw/zinc/70/83/02/650708302.db2.gz VKDPMVNHBIAFNZ-SNVBAGLBSA-N 1 0 377.229 2.312 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000486204704 650708448 /nfs/dbraw/zinc/70/84/48/650708448.db2.gz PJFJZQMJSLFPIE-MWLCHTKSSA-N 1 0 378.279 2.209 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cc1Br ZINC000486226967 650709222 /nfs/dbraw/zinc/70/92/22/650709222.db2.gz DRJYDQRKBACUKN-UHFFFAOYSA-N 1 0 380.286 2.383 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)c1nc2ncccn2n1)c1ccc(Cl)c(Cl)c1 ZINC000530035054 650711153 /nfs/dbraw/zinc/71/11/53/650711153.db2.gz YFQGTIOOCOQCJO-ZDUSSCGKSA-N 1 0 379.251 2.464 20 0 GEADRO CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000486781105 650721634 /nfs/dbraw/zinc/72/16/34/650721634.db2.gz WOSCYJNQALDDOF-KRWDZBQOSA-N 1 0 375.579 2.063 20 0 GEADRO C[NH+](C)Cc1ccccc1C(=O)Nc1ccncc1I ZINC000486649595 650717927 /nfs/dbraw/zinc/71/79/27/650717927.db2.gz HXAFNAFNJMVZFB-UHFFFAOYSA-N 1 0 381.217 2.422 20 0 GEADRO Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COCCN1)CCCO2 ZINC000530217658 650718671 /nfs/dbraw/zinc/71/86/71/650718671.db2.gz AIIADSPSAQZKGG-TZMCWYRMSA-N 1 0 388.249 2.083 20 0 GEADRO C[C@H]([NH2+]CCc1cncn1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530360547 650723238 /nfs/dbraw/zinc/72/32/38/650723238.db2.gz XCOJHDLQTUFRFG-VIFPVBQESA-N 1 0 377.297 2.268 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2cc(Cl)cs2)c1 ZINC000487305965 650732440 /nfs/dbraw/zinc/73/24/40/650732440.db2.gz WMWFCCSBLZAOGM-SNVBAGLBSA-N 1 0 387.914 2.426 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531331941 650736947 /nfs/dbraw/zinc/73/69/47/650736947.db2.gz CHURLRDMZAJMCZ-LLVKDONJSA-N 1 0 391.331 2.386 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000487548149 650735590 /nfs/dbraw/zinc/73/55/90/650735590.db2.gz BDLUSRLXASEABT-ZWNOBZJWSA-N 1 0 379.258 2.313 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000487585109 650735874 /nfs/dbraw/zinc/73/58/74/650735874.db2.gz DNUOKMVEXMZELJ-WBMJQRKESA-N 1 0 392.301 2.186 20 0 GEADRO COc1cc(Cl)c(Cl)cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000487733522 650737302 /nfs/dbraw/zinc/73/73/02/650737302.db2.gz ULPCNMILCFMBRQ-LLVKDONJSA-N 1 0 388.295 2.319 20 0 GEADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000487803680 650738216 /nfs/dbraw/zinc/73/82/16/650738216.db2.gz SWUFYNFZBOTWNT-IUODEOHRSA-N 1 0 397.317 2.416 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000487819197 650738268 /nfs/dbraw/zinc/73/82/68/650738268.db2.gz PGHPRAIVGQLOID-AWEZNQCLSA-N 1 0 383.290 2.171 20 0 GEADRO C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000487911596 650739218 /nfs/dbraw/zinc/73/92/18/650739218.db2.gz LUAOQPLINWUGTL-KGLIPLIRSA-N 1 0 396.329 2.416 20 0 GEADRO C[N@H+](CCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000487961444 650740135 /nfs/dbraw/zinc/74/01/35/650740135.db2.gz WIHRUNNWLUJDKT-HNNXBMFYSA-N 1 0 385.295 2.492 20 0 GEADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000531651226 650741862 /nfs/dbraw/zinc/74/18/62/650741862.db2.gz CGGWKDRSPOQOLY-SJORKVTESA-N 1 0 375.579 2.063 20 0 GEADRO COCCSCCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000488225919 650742861 /nfs/dbraw/zinc/74/28/61/650742861.db2.gz VESGQBYTOOGTRD-MRXNPFEDSA-N 1 0 390.546 2.338 20 0 GEADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)c1 ZINC000531703206 650743036 /nfs/dbraw/zinc/74/30/36/650743036.db2.gz LLSKTOUXOAWORO-ZOODHJKOSA-N 1 0 380.432 2.481 20 0 GEADRO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000008531869 642353165 /nfs/dbraw/zinc/35/31/65/642353165.db2.gz QFKQXQZRMUPHHO-GFCCVEGCSA-N 1 0 386.290 2.382 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@H]21 ZINC000532649690 650751630 /nfs/dbraw/zinc/75/16/30/650751630.db2.gz CCBKBFDDFUJFND-CZUORRHYSA-N 1 0 391.313 2.373 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000532454952 650748201 /nfs/dbraw/zinc/74/82/01/650748201.db2.gz JLKMQSZUINTHAJ-MRXNPFEDSA-N 1 0 392.345 2.446 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000020551310 642397925 /nfs/dbraw/zinc/39/79/25/642397925.db2.gz AEXZFDUHGSFXPF-UHFFFAOYSA-N 1 0 379.295 2.492 20 0 GEADRO CCCN(CCC)S(=O)(=O)N1CC[NH+](CC2(OC)CCCCC2)CC1 ZINC000488578820 650748311 /nfs/dbraw/zinc/74/83/11/650748311.db2.gz ZTQGIKPCPIMFJO-UHFFFAOYSA-N 1 0 375.579 2.320 20 0 GEADRO O=C(NCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21)c1cnccn1 ZINC000532494912 650748917 /nfs/dbraw/zinc/74/89/17/650748917.db2.gz GEGLJBKMOISCOF-CQSZACIVSA-N 1 0 391.269 2.472 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000489032459 650753985 /nfs/dbraw/zinc/75/39/85/650753985.db2.gz AOGVDISHDCNKJZ-XHDPSFHLSA-N 1 0 386.265 2.158 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000489104779 650754247 /nfs/dbraw/zinc/75/42/47/650754247.db2.gz RJSLTTJHDAWHIW-UHFFFAOYSA-N 1 0 384.293 2.328 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccccc2Br)[C@H](C)C1 ZINC000489183749 650755632 /nfs/dbraw/zinc/75/56/32/650755632.db2.gz JNWIQTULCRJLCD-ZIAGYGMSSA-N 1 0 384.318 2.088 20 0 GEADRO COc1ccc(Br)cc1C[N@H+](C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000533079956 650756571 /nfs/dbraw/zinc/75/65/71/650756571.db2.gz IMAIRJOYFVHLEP-HZPDHXFCSA-N 1 0 388.302 2.446 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc(Br)c[nH]2)cc1 ZINC000031462549 642483416 /nfs/dbraw/zinc/48/34/16/642483416.db2.gz GGFWFWGICXRKQP-UHFFFAOYSA-N 1 0 379.258 2.321 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000031890224 642491439 /nfs/dbraw/zinc/49/14/39/642491439.db2.gz GJURIWCPAKCADO-ZDUSSCGKSA-N 1 0 394.313 2.403 20 0 GEADRO C[C@]12CCC(=O)N1[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)CS2 ZINC000032762577 642498322 /nfs/dbraw/zinc/49/83/22/642498322.db2.gz BYPWOBAWEIOELC-GLJUWKHASA-N 1 0 379.551 2.455 20 0 GEADRO CC[N@H+](CCCO)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000489419009 650758957 /nfs/dbraw/zinc/75/89/57/650758957.db2.gz AMRLVTYXBGQCIE-NSHDSACASA-N 1 0 376.238 2.323 20 0 GEADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(I)cc1 ZINC000033858945 642504645 /nfs/dbraw/zinc/50/46/45/642504645.db2.gz WXDLCYDZPSSWRO-UHFFFAOYSA-N 1 0 396.294 2.157 20 0 GEADRO CSCC[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)N(C)C ZINC000489854683 650764872 /nfs/dbraw/zinc/76/48/72/650764872.db2.gz CEXAKTOBJLGTQT-FZMZJTMJSA-N 1 0 376.519 2.090 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000041240717 642527482 /nfs/dbraw/zinc/52/74/82/642527482.db2.gz VMPICLJLTAUKDH-UHFFFAOYSA-N 1 0 384.249 2.270 20 0 GEADRO CC[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000489911469 650765393 /nfs/dbraw/zinc/76/53/93/650765393.db2.gz SLVSAZFIMQGYDP-CQSZACIVSA-N 1 0 378.922 2.076 20 0 GEADRO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ncc(Br)s1 ZINC000533784641 650765450 /nfs/dbraw/zinc/76/54/50/650765450.db2.gz BADITJXKSHVGJW-MNOVXSKESA-N 1 0 375.336 2.144 20 0 GEADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ncc(Br)s1 ZINC000533784635 650765480 /nfs/dbraw/zinc/76/54/80/650765480.db2.gz BADITJXKSHVGJW-GHMZBOCLSA-N 1 0 375.336 2.144 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490063105 650767542 /nfs/dbraw/zinc/76/75/42/650767542.db2.gz WUQGXOCJGVOUGE-AWEZNQCLSA-N 1 0 395.269 2.492 20 0 GEADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489990898 650765986 /nfs/dbraw/zinc/76/59/86/650765986.db2.gz RWTIOISDYYWUJB-CQSZACIVSA-N 1 0 377.279 2.352 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000041892235 642535301 /nfs/dbraw/zinc/53/53/01/642535301.db2.gz GOJUKWPGYXMZMJ-GFCCVEGCSA-N 1 0 380.286 2.297 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000041906563 642535641 /nfs/dbraw/zinc/53/56/41/642535641.db2.gz CLUVJLOKMYHUCI-UHFFFAOYSA-N 1 0 380.330 2.234 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CCC[N@@H+]1C ZINC000489996197 650766298 /nfs/dbraw/zinc/76/62/98/650766298.db2.gz VACWDXGQAKDHDW-WKPIXPDZSA-N 1 0 388.281 2.404 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNC(=O)c1ccccc1Br ZINC000043562223 642562105 /nfs/dbraw/zinc/56/21/05/642562105.db2.gz ZETPHQKPIAHMSJ-NSHDSACASA-N 1 0 385.331 2.042 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1I ZINC000490052987 650767080 /nfs/dbraw/zinc/76/70/80/650767080.db2.gz IXRSMBFUWAAHOG-SNVBAGLBSA-N 1 0 396.294 2.076 20 0 GEADRO CC[C@H](CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCCC1 ZINC000044131688 642570293 /nfs/dbraw/zinc/57/02/93/642570293.db2.gz VUVAPFATUHBQIW-OAHLLOKOSA-N 1 0 384.571 2.098 20 0 GEADRO CC1CC[NH+](CCCNS(=O)(=O)c2cncc(Br)c2)CC1 ZINC000044244574 642571873 /nfs/dbraw/zinc/57/18/73/642571873.db2.gz MDJYYPLEKDNELI-UHFFFAOYSA-N 1 0 376.320 2.244 20 0 GEADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cncc(Br)c2)CC1 ZINC000044244994 642572079 /nfs/dbraw/zinc/57/20/79/642572079.db2.gz FETBBPURURHNEP-UHFFFAOYSA-N 1 0 376.320 2.387 20 0 GEADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490061067 650767188 /nfs/dbraw/zinc/76/71/88/650767188.db2.gz RRGXYBGRDIJENE-CQSZACIVSA-N 1 0 377.279 2.352 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000044492454 642579758 /nfs/dbraw/zinc/57/97/58/642579758.db2.gz SHBILULUPQRSGD-LBPRGKRZSA-N 1 0 377.304 2.268 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000044529102 642580891 /nfs/dbraw/zinc/58/08/91/642580891.db2.gz FLZYVQJSFNTXSI-VIFPVBQESA-N 1 0 397.722 2.471 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000044664554 642581375 /nfs/dbraw/zinc/58/13/75/642581375.db2.gz AASLGDHJJORRFQ-GFCCVEGCSA-N 1 0 390.962 2.482 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045084743 642588296 /nfs/dbraw/zinc/58/82/96/642588296.db2.gz UGVNGWGFWXPZHG-UHFFFAOYSA-N 1 0 394.313 2.266 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1ccc(I)cc1 ZINC000489794785 650763695 /nfs/dbraw/zinc/76/36/95/650763695.db2.gz HJLHYHRNSODZBY-CQSZACIVSA-N 1 0 387.265 2.433 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cccc(I)c3)[C@@H]2C1 ZINC000490221624 650770225 /nfs/dbraw/zinc/77/02/25/650770225.db2.gz KWWYMPXVBNFTRJ-DZGCQCFKSA-N 1 0 384.261 2.386 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000047148598 642622010 /nfs/dbraw/zinc/62/20/10/642622010.db2.gz CDZKHXWPRCJTFO-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000048185002 642645816 /nfs/dbraw/zinc/64/58/16/642645816.db2.gz FBWLFNVAKSJGTO-SNVBAGLBSA-N 1 0 390.347 2.333 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000048217952 642647103 /nfs/dbraw/zinc/64/71/03/642647103.db2.gz BMYYCVKHEYCLHX-GFCCVEGCSA-N 1 0 391.281 2.440 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000049048383 642666326 /nfs/dbraw/zinc/66/63/26/642666326.db2.gz OKSOCIPFTMXFQI-CYBMUJFWSA-N 1 0 388.295 2.405 20 0 GEADRO COCC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCOC1 ZINC000490106295 650768731 /nfs/dbraw/zinc/76/87/31/650768731.db2.gz YNLFETHJXCPTPZ-LSDHHAIUSA-N 1 0 392.265 2.065 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCc2c1c(Br)ccc2F)c1cnccn1 ZINC000534058939 650768779 /nfs/dbraw/zinc/76/87/79/650768779.db2.gz IKOHGMCBFBKRBW-ZDUSSCGKSA-N 1 0 379.233 2.385 20 0 GEADRO CCC[N@H+](CCO)CC(=O)Nc1ccc(I)cc1C ZINC000049824996 642672483 /nfs/dbraw/zinc/67/24/83/642672483.db2.gz JAWHDUKCLBLKHD-UHFFFAOYSA-N 1 0 376.238 2.242 20 0 GEADRO CS[C@H]1CN(C(=O)c2cccc(I)c2)C[C@H]1[NH+](C)C ZINC000534092286 650769010 /nfs/dbraw/zinc/76/90/10/650769010.db2.gz ZRYMXJKCNBDVBS-OLZOCXBDSA-N 1 0 390.290 2.409 20 0 GEADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCCNS(C)(=O)=O ZINC000051187465 642692333 /nfs/dbraw/zinc/69/23/33/642692333.db2.gz PGAGFSRIABKRND-UHFFFAOYSA-N 1 0 384.933 2.231 20 0 GEADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000052134581 642711076 /nfs/dbraw/zinc/71/10/76/642711076.db2.gz BRWOPFNLIUYOII-MRXNPFEDSA-N 1 0 387.933 2.462 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1CC[NH+](CC2CC2)CC1 ZINC000052164381 642711147 /nfs/dbraw/zinc/71/11/47/642711147.db2.gz UIJHTIFYEBLISA-UHFFFAOYSA-N 1 0 380.330 2.435 20 0 GEADRO CN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000534588697 650778147 /nfs/dbraw/zinc/77/81/47/650778147.db2.gz STOZLXYRMLVWPM-XJKSGUPXSA-N 1 0 381.929 2.341 20 0 GEADRO O=C(Nc1cncc(Br)c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000534578013 650778211 /nfs/dbraw/zinc/77/82/11/650778211.db2.gz QVVOCJWVSUXHHF-QGZVFWFLSA-N 1 0 376.254 2.420 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000052397227 642717259 /nfs/dbraw/zinc/71/72/59/642717259.db2.gz GMMGHFREBUGOJZ-QGZVFWFLSA-N 1 0 384.567 2.065 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC000053699037 642736459 /nfs/dbraw/zinc/73/64/59/642736459.db2.gz WRDOZMHDQLKNEA-ZDUSSCGKSA-N 1 0 387.571 2.173 20 0 GEADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000534755304 650780777 /nfs/dbraw/zinc/78/07/77/650780777.db2.gz ZMAFVCNOICOPFL-WBMJQRKESA-N 1 0 384.274 2.494 20 0 GEADRO C[N@H+](CCNC(=O)CNC(=O)c1ccc(Br)o1)Cc1ccccc1 ZINC000054281516 642750044 /nfs/dbraw/zinc/75/00/44/642750044.db2.gz KOEFMIPOVXWAKM-UHFFFAOYSA-N 1 0 394.269 2.020 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1[NH+](C)C ZINC000534906651 650781841 /nfs/dbraw/zinc/78/18/41/650781841.db2.gz AZMFBTKCBFVORG-IUCAKERBSA-N 1 0 385.374 2.177 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[N@H+](C)C1CC1 ZINC000057707283 642814843 /nfs/dbraw/zinc/81/48/43/642814843.db2.gz MAWFDUROANYWFF-TZMCWYRMSA-N 1 0 394.313 2.401 20 0 GEADRO Brc1cccc(-c2c[nH]c(CN3CCN([C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000491217276 650784441 /nfs/dbraw/zinc/78/44/41/650784441.db2.gz OIYYRJVLCLCZIY-INIZCTEOSA-N 1 0 390.329 2.319 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)NCCOc1cccc(Br)c1 ZINC000535260723 650786426 /nfs/dbraw/zinc/78/64/26/650786426.db2.gz JNUYHCIFZSACLP-UHFFFAOYSA-N 1 0 379.258 2.056 20 0 GEADRO Nc1c(Cl)c(Cl)ccc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000061723045 642845206 /nfs/dbraw/zinc/84/52/06/642845206.db2.gz AMECHZDHNDTQQY-UHFFFAOYSA-N 1 0 386.279 2.475 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)C[NH3+])c(Br)c1 ZINC000492419085 650790637 /nfs/dbraw/zinc/79/06/37/650790637.db2.gz UGQACPRDKAZEPA-ZETCQYMHSA-N 1 0 386.109 2.146 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063194161 642854616 /nfs/dbraw/zinc/85/46/16/642854616.db2.gz OPFNRHUXUWKJCL-JQWIXIFHSA-N 1 0 377.304 2.348 20 0 GEADRO COc1cc(C[NH2+]CCN2CCCC2)cc(I)c1OC ZINC000063312939 642857558 /nfs/dbraw/zinc/85/75/58/642857558.db2.gz GPSXUEFCVZCGMR-UHFFFAOYSA-N 1 0 390.265 2.494 20 0 GEADRO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000535851463 650791713 /nfs/dbraw/zinc/79/17/13/650791713.db2.gz BAHOGXHGTKBNIJ-ZDUSSCGKSA-N 1 0 382.302 2.075 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2OC)C1 ZINC000063850891 642863674 /nfs/dbraw/zinc/86/36/74/642863674.db2.gz BDVGEQGMGCYHFU-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2nc3ncc(Br)cn3n2)CCCCCC1 ZINC000065630914 642882598 /nfs/dbraw/zinc/88/25/98/642882598.db2.gz RDNVJKYZPPRHQB-UHFFFAOYSA-N 1 0 395.305 2.271 20 0 GEADRO C[NH+](C)CCN(C(=O)c1nc2ncc(Br)cn2n1)C1CCCCC1 ZINC000065746324 642886700 /nfs/dbraw/zinc/88/67/00/642886700.db2.gz OSRPBYMQCIAWPP-UHFFFAOYSA-N 1 0 395.305 2.223 20 0 GEADRO O=C1c2ccc(Br)cc2N(CN2CC[C@@H]([NH+]3CCCC3)C2)C1=O ZINC000066080819 642895834 /nfs/dbraw/zinc/89/58/34/642895834.db2.gz YNRFDEJPHPGORT-CYBMUJFWSA-N 1 0 378.270 2.106 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000066187316 642900177 /nfs/dbraw/zinc/90/01/77/642900177.db2.gz SPEKBZYDEWCDIE-CYBMUJFWSA-N 1 0 399.333 2.208 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000066652517 642931506 /nfs/dbraw/zinc/93/15/06/642931506.db2.gz TZBHCNDRUQVOOH-CABCVRRESA-N 1 0 384.567 2.419 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000066652518 642931555 /nfs/dbraw/zinc/93/15/55/642931555.db2.gz TZBHCNDRUQVOOH-LSDHHAIUSA-N 1 0 384.567 2.419 20 0 GEADRO CC(C)[C@H](CNC(=O)NCCCn1cc(Br)cn1)[NH+]1CCCC1 ZINC000493913576 650798665 /nfs/dbraw/zinc/79/86/65/650798665.db2.gz ZLCFMCPSQSUDRR-HNNXBMFYSA-N 1 0 386.338 2.455 20 0 GEADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000066726663 642935362 /nfs/dbraw/zinc/93/53/62/642935362.db2.gz CGZQLRBQWJPYIH-QGZVFWFLSA-N 1 0 384.567 2.017 20 0 GEADRO COC(=O)[C@]1(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CCSC1 ZINC000536258926 650799398 /nfs/dbraw/zinc/79/93/98/650799398.db2.gz RPZOGFCKVSYNRT-SFHVURJKSA-N 1 0 380.535 2.014 20 0 GEADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000493980251 650800168 /nfs/dbraw/zinc/80/01/68/650800168.db2.gz VUWGMNVPTMQOQK-VYDXJSESSA-N 1 0 383.330 2.350 20 0 GEADRO CSCc1nc2ccccc2n1CC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000536336344 650800395 /nfs/dbraw/zinc/80/03/95/650800395.db2.gz CXTQXSLPFNGBSV-JKSUJKDBSA-N 1 0 378.567 2.403 20 0 GEADRO CCS(=O)(=O)NCCC[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000494006070 650800531 /nfs/dbraw/zinc/80/05/31/650800531.db2.gz FZVZTAJFTJRLLN-UHFFFAOYSA-N 1 0 399.376 2.288 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccncc1)COc1ccc(I)cc1 ZINC000066992942 642957184 /nfs/dbraw/zinc/95/71/84/642957184.db2.gz WTSLLCADWFARRR-AWEZNQCLSA-N 1 0 384.217 2.216 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000067044925 642960138 /nfs/dbraw/zinc/96/01/38/642960138.db2.gz UMLOOBHCRGNOHE-CVEARBPZSA-N 1 0 381.929 2.408 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000068084917 642987250 /nfs/dbraw/zinc/98/72/50/642987250.db2.gz DAFSEBCIIXSVMZ-CYBMUJFWSA-N 1 0 387.933 2.372 20 0 GEADRO C[C@H]1CCCCN1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000068347844 642990379 /nfs/dbraw/zinc/99/03/79/642990379.db2.gz KPJLAKCAIZGRBB-AWEZNQCLSA-N 1 0 375.485 2.448 20 0 GEADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1 ZINC000068385997 642992785 /nfs/dbraw/zinc/99/27/85/642992785.db2.gz YQQZIAVPKGILTO-GFCCVEGCSA-N 1 0 381.523 2.255 20 0 GEADRO CSc1ccc(-c2nsc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)n2)cc1 ZINC000536544699 650805375 /nfs/dbraw/zinc/80/53/75/650805375.db2.gz HTTJAXJFDDETLW-AWEZNQCLSA-N 1 0 375.523 2.255 20 0 GEADRO COc1cc(CNCCC[NH+](C)C)cc(I)c1OC ZINC000068840054 643013499 /nfs/dbraw/zinc/01/34/99/643013499.db2.gz BBPPMDMFOUGSIG-UHFFFAOYSA-N 1 0 378.254 2.350 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N(C)CC[NH+]2CCCC2)c1Br ZINC000494422565 650807677 /nfs/dbraw/zinc/80/76/77/650807677.db2.gz PUBXOHWIAYTJAO-UHFFFAOYSA-N 1 0 383.290 2.368 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1cccc(I)c1 ZINC000070149834 643049246 /nfs/dbraw/zinc/04/92/46/643049246.db2.gz SDWKKUDYRUDELC-AWEZNQCLSA-N 1 0 387.265 2.433 20 0 GEADRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(Br)cc1Br ZINC000070303809 643050281 /nfs/dbraw/zinc/05/02/81/643050281.db2.gz GNSADBZEPAFOHI-UHFFFAOYSA-N 1 0 386.109 2.052 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000071144696 643059020 /nfs/dbraw/zinc/05/90/20/643059020.db2.gz FPNBKBQPZRBJRH-LLVKDONJSA-N 1 0 377.304 2.078 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(I)cc1 ZINC000071330445 643060243 /nfs/dbraw/zinc/06/02/43/643060243.db2.gz NDMDIBQIVDURER-LBPRGKRZSA-N 1 0 394.278 2.054 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[NH+]1CCCC1 ZINC000073594618 643063228 /nfs/dbraw/zinc/06/32/28/643063228.db2.gz NDUDKBLWHNNCSV-MRXNPFEDSA-N 1 0 375.579 2.400 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000080475370 643064473 /nfs/dbraw/zinc/06/44/73/643064473.db2.gz XIHJAROGOPXUSG-QGZVFWFLSA-N 1 0 375.579 2.206 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)[C@H]1C[N@@H+]3CCN1CCC3)CC2 ZINC000537172602 650810412 /nfs/dbraw/zinc/81/04/12/650810412.db2.gz MGQZJWFBRHKUBR-QGZVFWFLSA-N 1 0 378.314 2.032 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000494535366 650810454 /nfs/dbraw/zinc/81/04/54/650810454.db2.gz AYYMLMINRPZXFY-QWRGUYRKSA-N 1 0 383.290 2.413 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092738458 643073157 /nfs/dbraw/zinc/07/31/57/643073157.db2.gz PHTQZVWOGPTYFN-LBPRGKRZSA-N 1 0 375.560 2.105 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000096866170 643091047 /nfs/dbraw/zinc/09/10/47/643091047.db2.gz CQIQEWAMWKROMP-RYUDHWBXSA-N 1 0 387.265 2.220 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000097173646 643095238 /nfs/dbraw/zinc/09/52/38/643095238.db2.gz GRGIYDODAIUERZ-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000098035832 643099963 /nfs/dbraw/zinc/09/99/63/643099963.db2.gz GROSQMIBDKQDHP-GFCCVEGCSA-N 1 0 395.305 2.129 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)c2nc3ncc(Br)cn3n2)([NH+](C)C)C1 ZINC000098036019 643100619 /nfs/dbraw/zinc/10/06/19/643100619.db2.gz KPAAUKJNGHTMFI-MEDUHNTESA-N 1 0 395.305 2.127 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000101527980 643106442 /nfs/dbraw/zinc/10/64/42/643106442.db2.gz FWVWCZHUAUZCCN-UHFFFAOYSA-N 1 0 382.302 2.075 20 0 GEADRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c(C)s1 ZINC000101576656 643110469 /nfs/dbraw/zinc/11/04/69/643110469.db2.gz ZUKSMGCVYAOEND-UHFFFAOYSA-N 1 0 376.544 2.259 20 0 GEADRO CC[NH+](CC)CCNC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000101766016 643116308 /nfs/dbraw/zinc/11/63/08/643116308.db2.gz ANXRVGNRJOLMAF-UHFFFAOYSA-N 1 0 399.333 2.210 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000101953301 643119161 /nfs/dbraw/zinc/11/91/61/643119161.db2.gz QXMYQNWQULRFKG-JTQLQIEISA-N 1 0 376.320 2.085 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000102081117 643121602 /nfs/dbraw/zinc/12/16/02/643121602.db2.gz UUFCLKPGZYWMDV-UHFFFAOYSA-N 1 0 398.301 2.136 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000494721859 650815109 /nfs/dbraw/zinc/81/51/09/650815109.db2.gz NQFAHINKDKDJOM-GFCCVEGCSA-N 1 0 398.301 2.198 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000494746923 650815885 /nfs/dbraw/zinc/81/58/85/650815885.db2.gz RFIFOOLLLGRJLU-GFCCVEGCSA-N 1 0 394.324 2.336 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000494773407 650816395 /nfs/dbraw/zinc/81/63/95/650816395.db2.gz QLTOOFUXRLJPOC-QGZVFWFLSA-N 1 0 398.345 2.483 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000103117096 643153878 /nfs/dbraw/zinc/15/38/78/643153878.db2.gz HZAFJSYSTRJLDR-INIZCTEOSA-N 1 0 394.313 2.356 20 0 GEADRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1sc(S(N)(=O)=O)cc1C ZINC000494845504 650817814 /nfs/dbraw/zinc/81/78/14/650817814.db2.gz NLNWYTJLFFHGSF-UHFFFAOYSA-N 1 0 387.571 2.432 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000103519483 643169369 /nfs/dbraw/zinc/16/93/69/643169369.db2.gz MHHJOLKSIXNGPV-UHFFFAOYSA-N 1 0 391.331 2.170 20 0 GEADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000494893988 650818945 /nfs/dbraw/zinc/81/89/45/650818945.db2.gz YEJFBYLKUMLVIB-SMDDNHRTSA-N 1 0 377.901 2.444 20 0 GEADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2nccc2[nH]1 ZINC000104095674 643177070 /nfs/dbraw/zinc/17/70/70/643177070.db2.gz FAHVYXDBWNSIMS-UHFFFAOYSA-N 1 0 380.235 2.400 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCSCC(F)(F)F ZINC000537668690 650820674 /nfs/dbraw/zinc/82/06/74/650820674.db2.gz QLZXUDGEBYFYOQ-UHFFFAOYSA-N 1 0 378.420 2.264 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)Nc1ccccc1I ZINC000104971087 643197780 /nfs/dbraw/zinc/19/77/80/643197780.db2.gz TZNRGFZPXCXTIT-UHFFFAOYSA-N 1 0 391.253 2.333 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000105004984 643198287 /nfs/dbraw/zinc/19/82/87/643198287.db2.gz YNGQCOCGMVSIOB-CYBMUJFWSA-N 1 0 397.317 2.466 20 0 GEADRO Cc1cc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1Br ZINC000104973126 643198360 /nfs/dbraw/zinc/19/83/60/643198360.db2.gz WLUAGYJESHVLOK-CYBMUJFWSA-N 1 0 397.317 2.466 20 0 GEADRO CN(CCN1CCOCC1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000105240082 643202086 /nfs/dbraw/zinc/20/20/86/643202086.db2.gz NNXBRZCPFWVXQS-INIZCTEOSA-N 1 0 382.302 2.410 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000495394249 650824811 /nfs/dbraw/zinc/82/48/11/650824811.db2.gz DOEWLNWWXXXCOE-STQMWFEESA-N 1 0 382.302 2.025 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000495384060 650824868 /nfs/dbraw/zinc/82/48/68/650824868.db2.gz OVEUQFDBURGOSV-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000537718328 650822042 /nfs/dbraw/zinc/82/20/42/650822042.db2.gz JFGRBELHKPTZCL-HIFRSBDPSA-N 1 0 387.318 2.425 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000537722705 650822260 /nfs/dbraw/zinc/82/22/60/650822260.db2.gz LVIPRYPWDSWACN-MRXNPFEDSA-N 1 0 379.913 2.233 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000106100548 643221838 /nfs/dbraw/zinc/22/18/38/643221838.db2.gz OIBVMFCOPKCPDP-ZIAGYGMSSA-N 1 0 384.318 2.083 20 0 GEADRO CCOCC[NH+]1CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000106105297 643222436 /nfs/dbraw/zinc/22/24/36/643222436.db2.gz LSAGGYGABITTNB-UHFFFAOYSA-N 1 0 384.318 2.432 20 0 GEADRO Cc1nc(COc2ccc(C[NH2+]CC3CN(S(C)(=O)=O)C3)cc2)cs1 ZINC000495154640 650823010 /nfs/dbraw/zinc/82/30/10/650823010.db2.gz HTJMSAAUPNNSND-UHFFFAOYSA-N 1 0 381.523 2.012 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1cc(F)ccc1Br ZINC000106539545 643233762 /nfs/dbraw/zinc/23/37/62/643233762.db2.gz RCVUFGVXUNDUHR-LBPRGKRZSA-N 1 0 387.297 2.023 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(Br)c(F)c1 ZINC000106549257 643233829 /nfs/dbraw/zinc/23/38/29/643233829.db2.gz JCRQUQSNHRCZLT-GFCCVEGCSA-N 1 0 387.297 2.023 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000106580732 643234416 /nfs/dbraw/zinc/23/44/16/643234416.db2.gz JEOUEGYUQJYDKH-CQSZACIVSA-N 1 0 383.334 2.226 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000106800320 643238626 /nfs/dbraw/zinc/23/86/26/643238626.db2.gz LKNRIRJXLQQOPI-AWEZNQCLSA-N 1 0 384.293 2.440 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000106805579 643239609 /nfs/dbraw/zinc/23/96/09/643239609.db2.gz IOHUBCBJSPPBBS-QGZVFWFLSA-N 1 0 380.330 2.230 20 0 GEADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000107078823 643249302 /nfs/dbraw/zinc/24/93/02/643249302.db2.gz JDGYRMSFZHOJGU-QWHCGFSZSA-N 1 0 380.543 2.141 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)C1 ZINC000107889936 643263561 /nfs/dbraw/zinc/26/35/61/643263561.db2.gz DGDYNKQYBHCQOC-MNOVXSKESA-N 1 0 388.331 2.087 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000108339110 643271350 /nfs/dbraw/zinc/27/13/50/643271350.db2.gz UJHFBSFRVDJVDO-BBRMVZONSA-N 1 0 381.929 2.313 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108336963 643271523 /nfs/dbraw/zinc/27/15/23/643271523.db2.gz YZSCBFVMSJNARN-QWRGUYRKSA-N 1 0 388.331 2.087 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000108329669 643271615 /nfs/dbraw/zinc/27/16/15/643271615.db2.gz PERHYWXSCODWRZ-GFCCVEGCSA-N 1 0 378.523 2.457 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000495684140 650826574 /nfs/dbraw/zinc/82/65/74/650826574.db2.gz YUMFGHCJEQIARV-AWEZNQCLSA-N 1 0 398.345 2.461 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000108450999 643273885 /nfs/dbraw/zinc/27/38/85/643273885.db2.gz VKKOYDCWARRZKP-CYBMUJFWSA-N 1 0 385.917 2.078 20 0 GEADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCCc1cc(Cl)sc1Cl ZINC000495687089 650826839 /nfs/dbraw/zinc/82/68/39/650826839.db2.gz XQVDGELGIYUJSJ-UHFFFAOYSA-N 1 0 378.325 2.268 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108569241 643276922 /nfs/dbraw/zinc/27/69/22/643276922.db2.gz IKDWKFZUGGSDAP-ZDUSSCGKSA-N 1 0 397.317 2.337 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@H]1[NH+](C)C ZINC000495728376 650827266 /nfs/dbraw/zinc/82/72/66/650827266.db2.gz NDRSMTZWLGUEND-YPMHNXCESA-N 1 0 387.299 2.295 20 0 GEADRO C[NH+]1CCN(CCNC(=O)CCCCOc2ccc(Br)cc2)CC1 ZINC000108769719 643281710 /nfs/dbraw/zinc/28/17/10/643281710.db2.gz LNQCGLTWPOYQLO-UHFFFAOYSA-N 1 0 398.345 2.362 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000496061945 650828056 /nfs/dbraw/zinc/82/80/56/650828056.db2.gz WDOFKVSJDFPZNM-IAGOWNOFSA-N 1 0 380.330 2.306 20 0 GEADRO CC[N@H+](CCC1CCN(C(=O)NCCCS(C)(=O)=O)CC1)CC(C)C ZINC000538064559 650829175 /nfs/dbraw/zinc/82/91/75/650829175.db2.gz UWTYEEDWCKIPJI-UHFFFAOYSA-N 1 0 375.579 2.211 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2)s1 ZINC000496414835 650829776 /nfs/dbraw/zinc/82/97/76/650829776.db2.gz XVFDOODXNPGCCC-INIZCTEOSA-N 1 0 381.523 2.095 20 0 GEADRO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)nc1 ZINC000538096894 650829740 /nfs/dbraw/zinc/82/97/40/650829740.db2.gz ZSYSPMIMFBFYGK-HOTGVXAUSA-N 1 0 386.587 2.030 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000110677350 643317513 /nfs/dbraw/zinc/31/75/13/643317513.db2.gz IVLZMAWNQBCCSD-AWEZNQCLSA-N 1 0 387.571 2.383 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1Br ZINC000110792654 643319593 /nfs/dbraw/zinc/31/95/93/643319593.db2.gz BJTDWPYZTDYBEE-LLVKDONJSA-N 1 0 377.304 2.126 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000110996710 643324435 /nfs/dbraw/zinc/32/44/35/643324435.db2.gz FITPSPUCNWMEPQ-LBPRGKRZSA-N 1 0 393.962 2.013 20 0 GEADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000111253017 643331051 /nfs/dbraw/zinc/33/10/51/643331051.db2.gz KNPXRNRIEWXHPV-UHFFFAOYSA-N 1 0 398.345 2.391 20 0 GEADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000538219076 650832418 /nfs/dbraw/zinc/83/24/18/650832418.db2.gz WTEXKNKEEKCNSR-BACDZXNISA-N 1 0 388.599 2.066 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000111826129 643347127 /nfs/dbraw/zinc/34/71/27/643347127.db2.gz LZJDIOWHTQFWPB-HNNXBMFYSA-N 1 0 378.300 2.294 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccc(Br)s1 ZINC000111810319 643347151 /nfs/dbraw/zinc/34/71/51/643347151.db2.gz HUOASRQZYBXASW-LBPRGKRZSA-N 1 0 390.347 2.463 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111829884 643347735 /nfs/dbraw/zinc/34/77/35/643347735.db2.gz LXSXUATUIFMTFF-AWEZNQCLSA-N 1 0 398.345 2.384 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000111832840 643347738 /nfs/dbraw/zinc/34/77/38/643347738.db2.gz ZWEKILSFOBYPSF-UHFFFAOYSA-N 1 0 377.304 2.398 20 0 GEADRO C[C@H]([NH2+]CCn1cccn1)C(=O)Nc1cccc(I)c1 ZINC000112547976 643364695 /nfs/dbraw/zinc/36/46/95/643364695.db2.gz CKRNOARRJYCFAV-NSHDSACASA-N 1 0 384.221 2.105 20 0 GEADRO CC[N@H+](C)CCNC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000112615961 643367154 /nfs/dbraw/zinc/36/71/54/643367154.db2.gz YDOFSOWIUAWQRD-OAHLLOKOSA-N 1 0 384.318 2.271 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000112703346 643369259 /nfs/dbraw/zinc/36/92/59/643369259.db2.gz NDFYHFPJHDTFKQ-OAHLLOKOSA-N 1 0 380.432 2.008 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000112919571 643377230 /nfs/dbraw/zinc/37/72/30/643377230.db2.gz HTXCNJMHMGPVNS-UHFFFAOYSA-N 1 0 389.949 2.442 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000112917990 643377546 /nfs/dbraw/zinc/37/75/46/643377546.db2.gz CESRBSNSFUSYGL-UHFFFAOYSA-N 1 0 397.292 2.437 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000538333085 650835099 /nfs/dbraw/zinc/83/50/99/650835099.db2.gz VPAZZCBGEYDOBD-NSHDSACASA-N 1 0 375.441 2.491 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000497513531 650835403 /nfs/dbraw/zinc/83/54/03/650835403.db2.gz LPEFSCOCXYKNIE-SJORKVTESA-N 1 0 380.330 2.258 20 0 GEADRO CCCCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)C1(C)C ZINC000538407711 650835884 /nfs/dbraw/zinc/83/58/84/650835884.db2.gz IXIHJLTXLLVIQL-GVDBMIGSSA-N 1 0 376.563 2.048 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114148072 643407412 /nfs/dbraw/zinc/40/74/12/643407412.db2.gz ZOSDTNDLUBPGGN-MNOVXSKESA-N 1 0 388.331 2.039 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000497570600 650836832 /nfs/dbraw/zinc/83/68/32/650836832.db2.gz GDXATIPBSXNXQA-UONOGXRCSA-N 1 0 384.318 2.088 20 0 GEADRO COc1cc(Br)ccc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000114383094 643416768 /nfs/dbraw/zinc/41/67/68/643416768.db2.gz RKCRJFMMHSIFAC-UHFFFAOYSA-N 1 0 398.345 2.461 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000114399521 643417292 /nfs/dbraw/zinc/41/72/92/643417292.db2.gz VSVGGZTZCMTIMR-BBRMVZONSA-N 1 0 381.929 2.265 20 0 GEADRO C[C@@H](CNC(=O)c1cc(I)c[nH]1)[NH+]1CCC(C)CC1 ZINC000115347642 643436398 /nfs/dbraw/zinc/43/63/98/643436398.db2.gz CEWYAINOLJFDLH-NSHDSACASA-N 1 0 375.254 2.470 20 0 GEADRO C[C@@H]1[C@H](C)N(CC(=O)Nc2ccc(I)cc2)CC[N@H+]1C ZINC000538952626 650839798 /nfs/dbraw/zinc/83/97/98/650839798.db2.gz CZKGMAAJTRBRPZ-NEPJUHHUSA-N 1 0 387.265 2.254 20 0 GEADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1cccc(I)c1 ZINC000538952674 650839857 /nfs/dbraw/zinc/83/98/57/650839857.db2.gz FBBWWBXJDOWZKL-NWDGAFQWSA-N 1 0 387.265 2.254 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000115586289 643442597 /nfs/dbraw/zinc/44/25/97/643442597.db2.gz APPKCGDBVPVCLR-LBPRGKRZSA-N 1 0 391.331 2.420 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)cc(F)c2)[C@H](C)C1 ZINC000115591813 643443371 /nfs/dbraw/zinc/44/33/71/643443371.db2.gz MJTNRSXCDLTFIK-CXAGYDPISA-N 1 0 376.469 2.380 20 0 GEADRO Nc1nc(CC[N@@H+]2CCSC[C@@H]2CCO)nc2sc3c(c21)CCCC3 ZINC000538966731 650840206 /nfs/dbraw/zinc/84/02/06/650840206.db2.gz BWKCCLDPQASOQE-LBPRGKRZSA-N 1 0 378.567 2.495 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1=O ZINC000116275964 643456320 /nfs/dbraw/zinc/45/63/20/643456320.db2.gz IJKAFMRGJDPAQB-OAHLLOKOSA-N 1 0 380.286 2.330 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN2CCc3cccc(Br)c3C2)CC1 ZINC000118411037 643511716 /nfs/dbraw/zinc/51/17/16/643511716.db2.gz GOEHMJPCPYDPJW-UHFFFAOYSA-N 1 0 380.330 2.408 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000118442733 643512991 /nfs/dbraw/zinc/51/29/91/643512991.db2.gz RZLVSFUKYHMXDW-AWEZNQCLSA-N 1 0 387.933 2.032 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1Br ZINC000118670277 643519072 /nfs/dbraw/zinc/51/90/72/643519072.db2.gz DZGHDWMMCPLEJY-LLVKDONJSA-N 1 0 377.304 2.172 20 0 GEADRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1cccc(NS(C)(=O)=O)c1 ZINC000118996385 643529682 /nfs/dbraw/zinc/52/96/82/643529682.db2.gz HUGQYCLZZQBSCV-LLVKDONJSA-N 1 0 387.303 2.368 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1cccc(NS(C)(=O)=O)c1 ZINC000119028871 643531101 /nfs/dbraw/zinc/53/11/01/643531101.db2.gz OUEMKRLCVFTWLL-LLVKDONJSA-N 1 0 382.873 2.396 20 0 GEADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000498052036 650846703 /nfs/dbraw/zinc/84/67/03/650846703.db2.gz HYFNOQJKSIOUJR-OCCSQVGLSA-N 1 0 381.325 2.193 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@H](C)Sc2sccc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000539624097 650846708 /nfs/dbraw/zinc/84/67/08/650846708.db2.gz FCMWIGQVAKYAKY-CIQGVGRVSA-N 1 0 388.580 2.203 20 0 GEADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000498200610 650850574 /nfs/dbraw/zinc/85/05/74/650850574.db2.gz JYQNPKHLCOAPOC-LBPRGKRZSA-N 1 0 380.222 2.260 20 0 GEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)N2CCOC(C)(C)C2)[C@@H]1c1cccs1 ZINC000539639386 650847132 /nfs/dbraw/zinc/84/71/32/650847132.db2.gz XGIKREDGDAMBMF-GDBMZVCRSA-N 1 0 387.571 2.076 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)c4c3OCCC4)[C@H]2C1 ZINC000498062343 650847234 /nfs/dbraw/zinc/84/72/34/650847234.db2.gz HAIRVOFPYVLVTC-JKSUJKDBSA-N 1 0 395.297 2.319 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1Br ZINC000119387896 643550372 /nfs/dbraw/zinc/55/03/72/643550372.db2.gz BHMUWNBVTDQYQK-JSGCOSHPSA-N 1 0 382.302 2.495 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)NC2(CCO)CC[NH+](C)CC2)c1 ZINC000498198232 650850625 /nfs/dbraw/zinc/85/06/25/650850625.db2.gz KVXHPNGRBJRPBH-UHFFFAOYSA-N 1 0 384.318 2.092 20 0 GEADRO Cc1c(Br)c2ccccc2n1CC(=O)NCCOCC[NH+](C)C ZINC000539745731 650848640 /nfs/dbraw/zinc/84/86/40/650848640.db2.gz FTJFCIUBGSIBKM-UHFFFAOYSA-N 1 0 382.302 2.407 20 0 GEADRO O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cccc(Br)c1 ZINC000498145787 650849053 /nfs/dbraw/zinc/84/90/53/650849053.db2.gz MTQFAGGMILPYEA-LSDHHAIUSA-N 1 0 395.301 2.314 20 0 GEADRO Cc1ccc(NC(=O)[C@H]([NH3+])CC(F)F)cc1S(=O)(=O)N1CCCCC1 ZINC000498205387 650851011 /nfs/dbraw/zinc/85/10/11/650851011.db2.gz PMGOOEKFPRVBAF-CYBMUJFWSA-N 1 0 375.441 2.091 20 0 GEADRO COc1ccc(Cl)cc1C1(CNC(=O)[C@H]([NH3+])CC(F)F)CCOCC1 ZINC000498209112 650851092 /nfs/dbraw/zinc/85/10/92/650851092.db2.gz WQQZBQAIOQDFPN-CYBMUJFWSA-N 1 0 376.831 2.496 20 0 GEADRO COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1cccc(Br)c1 ZINC000498212282 650851517 /nfs/dbraw/zinc/85/15/17/650851517.db2.gz NHTJUTWETRYABB-WDEREUQCSA-N 1 0 379.201 2.152 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cnn2cc(Br)cnc12 ZINC000539845072 650851528 /nfs/dbraw/zinc/85/15/28/650851528.db2.gz RCTKPVWHMKFOMA-VXGBXAGGSA-N 1 0 380.290 2.485 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CNCC(F)(F)F ZINC000498219683 650851739 /nfs/dbraw/zinc/85/17/39/650851739.db2.gz MBFCMRCBUBVXDB-UHFFFAOYSA-N 1 0 396.251 2.491 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Br)ccc2OC)CC1 ZINC000120492419 643611406 /nfs/dbraw/zinc/61/14/06/643611406.db2.gz ZENIYZXFYPBKSA-CQSZACIVSA-N 1 0 398.345 2.461 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NCCC[NH2+]Cc2cccnc2)ccc1Cl ZINC000120767659 643623668 /nfs/dbraw/zinc/62/36/68/643623668.db2.gz MLLONWBYLJEOEJ-UHFFFAOYSA-N 1 0 381.885 2.048 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000539922642 650853726 /nfs/dbraw/zinc/85/37/26/650853726.db2.gz ZZYGZLLRGGUKQX-INIZCTEOSA-N 1 0 397.313 2.434 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)COc1ccc(Br)cc1F ZINC000539921467 650853771 /nfs/dbraw/zinc/85/37/71/650853771.db2.gz BNPYVDARWXENFT-CYBMUJFWSA-N 1 0 391.281 2.176 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)COc1ccc(Br)cc1F ZINC000539921468 650853843 /nfs/dbraw/zinc/85/38/43/650853843.db2.gz BNPYVDARWXENFT-ZDUSSCGKSA-N 1 0 391.281 2.176 20 0 GEADRO C[C@H](CNC(=O)CCOc1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000121799301 643641386 /nfs/dbraw/zinc/64/13/86/643641386.db2.gz FEZGHNZJXBCKQB-OAHLLOKOSA-N 1 0 398.345 2.218 20 0 GEADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CC[N@@H+]1C ZINC000122300508 643652978 /nfs/dbraw/zinc/65/29/78/643652978.db2.gz YTQFWGLKXJOIRY-OCCSQVGLSA-N 1 0 387.933 2.145 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000540019914 650856642 /nfs/dbraw/zinc/85/66/42/650856642.db2.gz DQNQMSXEAKVCKY-XJKCOSOUSA-N 1 0 394.313 2.353 20 0 GEADRO O=c1c(Br)nn(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c2ccccc12 ZINC000124334825 643684696 /nfs/dbraw/zinc/68/46/96/643684696.db2.gz WBCXHXJAFFTRBU-UONOGXRCSA-N 1 0 396.310 2.323 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000540175923 650858699 /nfs/dbraw/zinc/85/86/99/650858699.db2.gz LQUTUKQLSCVTIW-CYBMUJFWSA-N 1 0 382.507 2.312 20 0 GEADRO COC[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540193170 650859040 /nfs/dbraw/zinc/85/90/40/650859040.db2.gz ZYALJGCNANFRFO-LSDHHAIUSA-N 1 0 380.432 2.407 20 0 GEADRO O[C@@H](CN1CCOCC1)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000125193209 643703206 /nfs/dbraw/zinc/70/32/06/643703206.db2.gz BPTVMKBFQMHHAX-AWEZNQCLSA-N 1 0 375.332 2.168 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000125195740 643703230 /nfs/dbraw/zinc/70/32/30/643703230.db2.gz CCCSPWKMYZHMRB-QWRGUYRKSA-N 1 0 376.320 2.063 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cncc(I)c2)C1 ZINC000125205924 643703601 /nfs/dbraw/zinc/70/36/01/643703601.db2.gz SZJQURFWMNKVFB-LBPRGKRZSA-N 1 0 387.265 2.490 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)CN(C)C(=O)c2ccc(Br)o2)C[C@@H]1C ZINC000498571780 650860298 /nfs/dbraw/zinc/86/02/98/650860298.db2.gz LVVVXHNECKZSGF-RYUDHWBXSA-N 1 0 386.290 2.055 20 0 GEADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126249310 643725514 /nfs/dbraw/zinc/72/55/14/643725514.db2.gz WUYAFMKCOCJZDI-CYBMUJFWSA-N 1 0 389.279 2.468 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)C1CC1 ZINC000498666008 650862207 /nfs/dbraw/zinc/86/22/07/650862207.db2.gz GFGORFRMJLTAOZ-UHFFFAOYSA-N 1 0 375.803 2.133 20 0 GEADRO CS[C@H]1CN(c2cc(Br)cc(F)c2C(N)=O)C[C@@H]1[NH+](C)C ZINC000540296846 650862535 /nfs/dbraw/zinc/86/25/35/650862535.db2.gz FALVPAAKQSJKFR-RYUDHWBXSA-N 1 0 376.295 2.169 20 0 GEADRO CS[C@@H]1CN(c2cc(Br)cc(F)c2C(N)=O)C[C@H]1[NH+](C)C ZINC000540296847 650862635 /nfs/dbraw/zinc/86/26/35/650862635.db2.gz FALVPAAKQSJKFR-VXGBXAGGSA-N 1 0 376.295 2.169 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(I)c(Br)c1 ZINC000126839230 643747421 /nfs/dbraw/zinc/74/74/21/643747421.db2.gz BBQQCXHONBPTAA-MRVPVSSYSA-N 1 0 395.038 2.145 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000498718102 650863171 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C[C@H]([NH3+])[C@H]1CCCN(C(=O)COc2ccc(I)cc2)C1 ZINC000237414121 645430964 /nfs/dbraw/zinc/43/09/64/645430964.db2.gz GGQSAHWLEYDONI-RYUDHWBXSA-N 1 0 388.249 2.256 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000237427590 645431889 /nfs/dbraw/zinc/43/18/89/645431889.db2.gz FXOYFAKMQIUKQU-RYUDHWBXSA-N 1 0 390.347 2.263 20 0 GEADRO C[C@@H](CC(=O)NCCNC(=O)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000237434831 645431968 /nfs/dbraw/zinc/43/19/68/645431968.db2.gz CMUXNKBNXBRRNK-ZDUSSCGKSA-N 1 0 396.329 2.321 20 0 GEADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)c1ccc(Cl)s1 ZINC000237459770 645432501 /nfs/dbraw/zinc/43/25/01/645432501.db2.gz MFTMGYZCPRCHLE-JTQLQIEISA-N 1 0 387.914 2.381 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000237487210 645433403 /nfs/dbraw/zinc/43/34/03/645433403.db2.gz NDYFLSYSOUTNJR-NEPJUHHUSA-N 1 0 387.933 2.369 20 0 GEADRO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000237500881 645433960 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GEADRO C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc([S@@](C)=O)cc1 ZINC000272127364 646254916 /nfs/dbraw/zinc/25/49/16/646254916.db2.gz RGYKLLSCDTXIHA-AASZTHNDSA-N 1 0 375.416 2.258 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000272187680 646261558 /nfs/dbraw/zinc/26/15/58/646261558.db2.gz DVIGFIYPYIAKRG-YPMHNXCESA-N 1 0 387.933 2.226 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272312349 646265659 /nfs/dbraw/zinc/26/56/59/646265659.db2.gz IZVYZLDQJBDIIF-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272354427 646268788 /nfs/dbraw/zinc/26/87/88/646268788.db2.gz REMNNSQZJGAOJW-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C(F)(F)F)n1 ZINC000272665207 646284239 /nfs/dbraw/zinc/28/42/39/646284239.db2.gz SDAXYOSJTSNGAH-YWPYICTPSA-N 1 0 377.432 2.144 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000272658651 646284366 /nfs/dbraw/zinc/28/43/66/646284366.db2.gz ICJUTGHXFYQZCW-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000272950914 646290853 /nfs/dbraw/zinc/29/08/53/646290853.db2.gz DPANXRLXDKGFFA-BMIGLBTASA-N 1 0 388.331 2.135 20 0 GEADRO C[C@@]1(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CCC[NH2+]C1 ZINC000272958732 646291639 /nfs/dbraw/zinc/29/16/39/646291639.db2.gz FPPGKHXGXJZKGA-FZKQIMNGSA-N 1 0 394.313 2.308 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000273021695 646297470 /nfs/dbraw/zinc/29/74/70/646297470.db2.gz CIIAQFOJKMJOJT-XHBSWPGZSA-N 1 0 375.296 2.500 20 0 GEADRO O=C(NC[C@@H]1CC[NH2+]C1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000273034832 646298697 /nfs/dbraw/zinc/29/86/97/646298697.db2.gz NNVVBKGVZSXLIB-GFCCVEGCSA-N 1 0 389.297 2.463 20 0 GEADRO COc1ccc(Br)cc1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000273047955 646299271 /nfs/dbraw/zinc/29/92/71/646299271.db2.gz HKAFJGZUAXYOOD-ZDUSSCGKSA-N 1 0 385.302 2.384 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1cnn(C)c1 ZINC000273396997 646314773 /nfs/dbraw/zinc/31/47/73/646314773.db2.gz PZQCBRMKHNHTJR-SNVBAGLBSA-N 1 0 384.221 2.314 20 0 GEADRO CS[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)C[C@H]1[NH+]1CCCC1 ZINC000274085612 646315850 /nfs/dbraw/zinc/31/58/50/646315850.db2.gz RFJSIXRKKSLWSN-ZIAGYGMSSA-N 1 0 399.358 2.294 20 0 GEADRO CS(=O)(=O)CCCCC[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000274793447 646331496 /nfs/dbraw/zinc/33/14/96/646331496.db2.gz ZGYARTIYBJATCY-UHFFFAOYSA-N 1 0 378.288 2.482 20 0 GEADRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274857660 646332725 /nfs/dbraw/zinc/33/27/25/646332725.db2.gz ZMZLLRDAHHGGLR-CQSZACIVSA-N 1 0 381.885 2.484 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H]1[NH+]1CCCC1 ZINC000274855089 646332864 /nfs/dbraw/zinc/33/28/64/646332864.db2.gz BNWWPXIKRNSNCM-GOEBONIOSA-N 1 0 377.535 2.383 20 0 GEADRO CC(C)(CNC(=O)C(=O)Nc1cncc(Br)c1)C[NH+]1CCCC1 ZINC000276727794 646372524 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GEADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000277340598 646405002 /nfs/dbraw/zinc/40/50/02/646405002.db2.gz UYTFEWGMZZTKJE-WBVHZDCISA-N 1 0 386.583 2.309 20 0 GEADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000277340585 646405103 /nfs/dbraw/zinc/40/51/03/646405103.db2.gz UYTFEWGMZZTKJE-NVXWUHKLSA-N 1 0 386.583 2.309 20 0 GEADRO COC(=O)c1cc(NC(=O)N(C)CC[NH+](C)C)cc(Br)c1F ZINC000277365898 646408170 /nfs/dbraw/zinc/40/81/70/646408170.db2.gz GVDOTRVQBCEHBM-UHFFFAOYSA-N 1 0 376.226 2.400 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277393671 646412672 /nfs/dbraw/zinc/41/26/72/646412672.db2.gz DZAHNGSBOGDYDQ-UHFFFAOYSA-N 1 0 387.933 2.227 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(=O)n1C ZINC000277463557 646425239 /nfs/dbraw/zinc/42/52/39/646425239.db2.gz PIKSZICUYTYUJK-CYBMUJFWSA-N 1 0 382.302 2.014 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)ccc1Cl ZINC000277477025 646428248 /nfs/dbraw/zinc/42/82/48/646428248.db2.gz LIVLJOIOLGALOL-OLZOCXBDSA-N 1 0 387.933 2.193 20 0 GEADRO Cc1c(Br)cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(=O)n1C ZINC000277538842 646438731 /nfs/dbraw/zinc/43/87/31/646438731.db2.gz WODPIQNGAOHJNR-VXGBXAGGSA-N 1 0 384.318 2.306 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)c2cc(Br)c(C)n(C)c2=O)CC1 ZINC000277542715 646439486 /nfs/dbraw/zinc/43/94/86/646439486.db2.gz WYJHQLXJMSVFSZ-UHFFFAOYSA-N 1 0 384.318 2.403 20 0 GEADRO C[C@@H]1C[N@H+](CCCNC(=O)COc2cccc(Br)c2)CCCO1 ZINC000277588160 646447304 /nfs/dbraw/zinc/44/73/04/646447304.db2.gz OXTMXZYDNIJBFB-CQSZACIVSA-N 1 0 385.302 2.445 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277692804 646462954 /nfs/dbraw/zinc/46/29/54/646462954.db2.gz QOWMLCWTIPEURO-XHDPSFHLSA-N 1 0 385.917 2.025 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278226677 646503882 /nfs/dbraw/zinc/50/38/82/646503882.db2.gz QXULSHVISKZIEJ-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)CC[NH2+]1 ZINC000278295529 646510795 /nfs/dbraw/zinc/51/07/95/646510795.db2.gz RGVVTKRYADTHDF-FTYDKLPRSA-N 1 0 381.270 2.490 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1Br ZINC000278559566 646525613 /nfs/dbraw/zinc/52/56/13/646525613.db2.gz QHEKATGRXLCSII-LLVKDONJSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc3c(c(Br)c2)OCO3)CCCO1 ZINC000278588888 646528570 /nfs/dbraw/zinc/52/85/70/646528570.db2.gz QJUULKHGYRMSSY-LBPRGKRZSA-N 1 0 399.285 2.409 20 0 GEADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc3c(c(Br)c2)OCO3)CCCO1 ZINC000278588883 646528670 /nfs/dbraw/zinc/52/86/70/646528670.db2.gz QJUULKHGYRMSSY-GFCCVEGCSA-N 1 0 399.285 2.409 20 0 GEADRO COC(=O)CN1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000278623819 646531712 /nfs/dbraw/zinc/53/17/12/646531712.db2.gz KEYBLKXGKABZSM-INIZCTEOSA-N 1 0 396.329 2.255 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccc2cncc(Br)c21)[NH+](C)C ZINC000278620438 646531780 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Cc1c(Cl)c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)sc1S(N)(=O)=O ZINC000279302205 646588991 /nfs/dbraw/zinc/58/89/91/646588991.db2.gz ZKFMFZPIKARFKL-NSHDSACASA-N 1 0 391.946 2.058 20 0 GEADRO Cc1c(Cl)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)sc1S(N)(=O)=O ZINC000279302201 646589008 /nfs/dbraw/zinc/58/90/08/646589008.db2.gz ZKFMFZPIKARFKL-LLVKDONJSA-N 1 0 391.946 2.058 20 0 GEADRO C[C@]1(O)CCC[N@H+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000279877457 646636092 /nfs/dbraw/zinc/63/60/92/646636092.db2.gz CHGPPDXPXSAZHK-HNNXBMFYSA-N 1 0 388.249 2.467 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000279949302 646639424 /nfs/dbraw/zinc/63/94/24/646639424.db2.gz SCOTYCQIEGWEQJ-MRVPVSSYSA-N 1 0 378.217 2.122 20 0 GEADRO O=C([C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000279966920 646640488 /nfs/dbraw/zinc/64/04/88/646640488.db2.gz JIKUPJBYRQZDKT-IIYDPXPESA-N 1 0 384.307 2.045 20 0 GEADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1ccc(Br)cn1 ZINC000280112115 646651665 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CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[NH+](C)C ZINC000284668563 646843511 /nfs/dbraw/zinc/84/35/11/646843511.db2.gz GFDMNDAWBIMSHY-LBPRGKRZSA-N 1 0 385.306 2.265 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000285414762 646856836 /nfs/dbraw/zinc/85/68/36/646856836.db2.gz XIRROMWCDSRRFO-ZDUSSCGKSA-N 1 0 395.301 2.117 20 0 GEADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4ccc(Br)cc4[nH]3)[C@H]2C1 ZINC000285596092 646858173 /nfs/dbraw/zinc/85/81/73/646858173.db2.gz CEAYXGAPLRABLZ-HOTGVXAUSA-N 1 0 378.270 2.476 20 0 GEADRO C[NH+](C)CCOc1ccccc1C(=O)NCCn1cc(Br)cn1 ZINC000286312124 646869827 /nfs/dbraw/zinc/86/98/27/646869827.db2.gz FERNOTXDQFYEKU-UHFFFAOYSA-N 1 0 381.274 2.016 20 0 GEADRO O=c1cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)nc2ccc(Cl)cn12 ZINC000286540651 646872892 /nfs/dbraw/zinc/87/28/92/646872892.db2.gz OEHUPXMFLRWGOE-GWCFXTLKSA-N 1 0 375.778 2.341 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000286891186 646878333 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GEADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000331303280 647378656 /nfs/dbraw/zinc/37/86/56/647378656.db2.gz CXKDYAXHKRUAQG-UHFFFAOYSA-N 1 0 376.906 2.462 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000331564790 647389682 /nfs/dbraw/zinc/38/96/82/647389682.db2.gz NNSHPLGFBVGUFL-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO CS[C@@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C[C@@H]1[NH+](C)C ZINC000331590503 647391816 /nfs/dbraw/zinc/39/18/16/647391816.db2.gz BCDCTMBVVFQLBP-DZGCQCFKSA-N 1 0 383.901 2.142 20 0 GEADRO CS[C@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C[C@H]1[NH+](C)C ZINC000331590507 647391939 /nfs/dbraw/zinc/39/19/39/647391939.db2.gz BCDCTMBVVFQLBP-HIFRSBDPSA-N 1 0 383.901 2.142 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000331853113 647400944 /nfs/dbraw/zinc/40/09/44/647400944.db2.gz CVHSEWABRZAWQA-HUUCEWRRSA-N 1 0 380.286 2.062 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC[C@@H]1[NH3+] ZINC000332051792 647408465 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O=C(Nc1cccc(Cl)c1Br)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332536235 647442391 /nfs/dbraw/zinc/44/23/91/647442391.db2.gz ARTRRPZUUUTQGL-MWLCHTKSSA-N 1 0 386.677 2.251 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332546210 647444054 /nfs/dbraw/zinc/44/40/54/647444054.db2.gz GNIAGCNPCUBPCJ-TVQRCGJNSA-N 1 0 386.677 2.251 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000332547963 647444704 /nfs/dbraw/zinc/44/47/04/647444704.db2.gz NZTPDOWEQNKOOC-UHFFFAOYSA-N 1 0 396.285 2.194 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000332565460 647446266 /nfs/dbraw/zinc/44/62/66/647446266.db2.gz ULTKSUQJXZVJAF-LBPRGKRZSA-N 1 0 382.302 2.496 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[C@@H]1[NH3+] ZINC000332629112 647449057 /nfs/dbraw/zinc/44/90/57/647449057.db2.gz DGKFXNOMRWYIEM-NFAWXSAZSA-N 1 0 381.318 2.407 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[C@H]1[NH3+] ZINC000332629116 647449715 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3.071 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)Cc2noc3ccccc32)C[C@H]1[NH+]1CCCC1 ZINC000333177806 647464341 /nfs/dbraw/zinc/46/43/41/647464341.db2.gz LUDUUULAHIOPAG-NVXWUHKLSA-N 1 0 381.523 2.169 20 0 GEADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000333209829 647465460 /nfs/dbraw/zinc/46/54/60/647465460.db2.gz ZKYRGVSOAXYCSQ-ZDUSSCGKSA-N 1 0 383.290 2.159 20 0 GEADRO O=C(Nc1ccc(Br)c(C2CC2)n1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333247416 647467831 /nfs/dbraw/zinc/46/78/31/647467831.db2.gz BXKAIVDDQNGADR-CYBMUJFWSA-N 1 0 394.317 2.233 20 0 GEADRO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000333265529 647468273 /nfs/dbraw/zinc/46/82/73/647468273.db2.gz JKYCBJFQPVEKPR-LBPRGKRZSA-N 1 0 382.555 2.496 20 0 GEADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1sccc1Cl ZINC000333272982 647468756 /nfs/dbraw/zinc/46/87/56/647468756.db2.gz CUAQPIRAMCURPF-UONOGXRCSA-N 1 0 378.947 2.448 20 0 GEADRO O=S(=O)(C[C@H]1CCCCC1(F)F)NCC1([NH+]2CCCC2)CCOCC1 ZINC000333374627 647469838 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20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1 ZINC000414322303 648092756 /nfs/dbraw/zinc/09/27/56/648092756.db2.gz FLNZGAHPJDVNFJ-AWEZNQCLSA-N 1 0 388.555 2.314 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCCCC[NH3+])ccc1Cl ZINC000414711822 648100717 /nfs/dbraw/zinc/10/07/17/648100717.db2.gz IAGBJVJSZMVERR-UHFFFAOYSA-N 1 0 376.910 2.231 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000414717609 648101303 /nfs/dbraw/zinc/10/13/03/648101303.db2.gz PXANPGUJTCJQDG-NSHDSACASA-N 1 0 378.885 2.210 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NC[C@H]([NH3+])C2CC2)ccc1Cl ZINC000414719641 648101897 /nfs/dbraw/zinc/10/18/97/648101897.db2.gz VVGPVHNISPLPCW-AWEZNQCLSA-N 1 0 388.921 2.229 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CC[NH2+][C@H](C)C2)ccc1Cl ZINC000414720453 648102007 /nfs/dbraw/zinc/10/20/07/648102007.db2.gz YPKIOBSZAIFQKJ-GFCCVEGCSA-N 1 0 388.921 2.196 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000415410864 648103040 /nfs/dbraw/zinc/10/30/40/648103040.db2.gz KYGUPHLAIWYWLF-SNVBAGLBSA-N 1 0 375.803 2.386 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415413247 648103606 /nfs/dbraw/zinc/10/36/06/648103606.db2.gz DKKPDTDRHLAATF-SSDOTTSWSA-N 1 0 382.180 2.212 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415413242 648103761 /nfs/dbraw/zinc/10/37/61/648103761.db2.gz DJSVPQNTUVIHOY-ZETCQYMHSA-N 1 0 398.179 2.092 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415418639 648104393 /nfs/dbraw/zinc/10/43/93/648104393.db2.gz SFLLINUBSOFEDX-QMMMGPOBSA-N 1 0 396.207 2.378 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415466796 648104910 /nfs/dbraw/zinc/10/49/10/648104910.db2.gz SIOKGQLINIPKOP-UHFFFAOYSA-N 1 0 382.180 2.260 20 0 GEADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415472842 648105917 /nfs/dbraw/zinc/10/59/17/648105917.db2.gz ZHUXYGGMQTUHQQ-SDBXPKJASA-N 1 0 388.237 2.494 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000415475708 648106558 /nfs/dbraw/zinc/10/65/58/648106558.db2.gz JFAHGDRLMNINKL-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000415587771 648107440 /nfs/dbraw/zinc/10/74/40/648107440.db2.gz OIDGJDDMDFEWFJ-UMNHJUIQSA-N 1 0 378.885 2.392 20 0 GEADRO COc1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c(I)c1 ZINC000415593399 648108190 /nfs/dbraw/zinc/10/81/90/648108190.db2.gz GXBZMBZEYZUXNH-JTQLQIEISA-N 1 0 399.179 2.404 20 0 GEADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC000415596591 648108831 /nfs/dbraw/zinc/10/88/31/648108831.db2.gz IAERCVBFICREPE-MFKMUULPSA-N 1 0 382.258 2.370 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415604191 648110335 /nfs/dbraw/zinc/11/03/35/648110335.db2.gz BONPLWFHPCOHLN-HQJQHLMTSA-N 1 0 392.656 2.294 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415624548 648110691 /nfs/dbraw/zinc/11/06/91/648110691.db2.gz LWSNDUAYOHDVKE-LLVKDONJSA-N 1 0 391.269 2.194 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415623094 648110800 /nfs/dbraw/zinc/11/08/00/648110800.db2.gz FKPFPINBQHLJBF-GFCCVEGCSA-N 1 0 384.274 2.045 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415628836 648111706 /nfs/dbraw/zinc/11/17/06/648111706.db2.gz AJOYQZGCIKTZBM-NSHDSACASA-N 1 0 383.290 2.496 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415816657 648114399 /nfs/dbraw/zinc/11/43/99/648114399.db2.gz YCHJODHOMWDZEN-ZJUUUORDSA-N 1 0 384.267 2.029 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000416417971 648120865 /nfs/dbraw/zinc/12/08/65/648120865.db2.gz OJZNTFDQFFHXEB-HNNXBMFYSA-N 1 0 394.946 2.073 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000416471746 648137103 /nfs/dbraw/zinc/13/71/03/648137103.db2.gz LMYBGXJOGCHPPA-LBPRGKRZSA-N 1 0 387.933 2.161 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000416490728 648146208 /nfs/dbraw/zinc/14/62/08/648146208.db2.gz WXEGIXMFXRTRGW-JSGCOSHPSA-N 1 0 386.901 2.374 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000416490730 648146318 /nfs/dbraw/zinc/14/63/18/648146318.db2.gz WXEGIXMFXRTRGW-TZMCWYRMSA-N 1 0 386.901 2.374 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@@H]3CC[N@H+](C)C3)ccc2s1 ZINC000416494463 648147788 /nfs/dbraw/zinc/14/77/88/648147788.db2.gz ISJHUTVBVWFBGB-LBPRGKRZSA-N 1 0 382.507 2.308 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416507262 648153193 /nfs/dbraw/zinc/15/31/93/648153193.db2.gz JQLYZIOOVWKRSX-UHFFFAOYSA-N 1 0 378.922 2.374 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416511223 648154516 /nfs/dbraw/zinc/15/45/16/648154516.db2.gz WSFDDKWBTMKNSK-LBPRGKRZSA-N 1 0 378.922 2.372 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000416558733 648171523 /nfs/dbraw/zinc/17/15/23/648171523.db2.gz PNCFMZFFJZRSCD-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO COC1(C(F)(F)F)CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000416639921 648197619 /nfs/dbraw/zinc/19/76/19/648197619.db2.gz BPOVVMKCFNTTIL-UHFFFAOYSA-N 1 0 380.432 2.480 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(Br)ccc2C)CC[N@H+](C)C1 ZINC000416783845 648211961 /nfs/dbraw/zinc/21/19/61/648211961.db2.gz WJIFTOCSNKMWOE-LBPRGKRZSA-N 1 0 384.274 2.326 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000416819897 648213271 /nfs/dbraw/zinc/21/32/71/648213271.db2.gz BLTSNPABQLUXFL-MRXNPFEDSA-N 1 0 383.290 2.076 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000416824204 648213664 /nfs/dbraw/zinc/21/36/64/648213664.db2.gz IEIZJFROJQUPQP-VXGBXAGGSA-N 1 0 383.290 2.088 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000416825709 648213763 /nfs/dbraw/zinc/21/37/63/648213763.db2.gz JLYLOZNSIFVZSZ-CYBMUJFWSA-N 1 0 383.290 2.137 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000416838551 648214648 /nfs/dbraw/zinc/21/46/48/648214648.db2.gz ZCUPMADPPKTIOV-DGCLKSJQSA-N 1 0 383.290 2.136 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000416837685 648214654 /nfs/dbraw/zinc/21/46/54/648214654.db2.gz XREZKILDNWHDMF-RISCZKNCSA-N 1 0 397.317 2.465 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(F)c(Br)c2)CC[N@H+](C)C1 ZINC000416895306 648215548 /nfs/dbraw/zinc/21/55/48/648215548.db2.gz UBJXZYPESKWHRE-JTQLQIEISA-N 1 0 388.237 2.157 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)CCCC[NH3+])s1 ZINC000416916614 648216386 /nfs/dbraw/zinc/21/63/86/648216386.db2.gz NMYDPTQVGRCDSU-CYBMUJFWSA-N 1 0 390.575 2.095 20 0 GEADRO CO[C@H]1CCN(C(=O)NCCc2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000416916943 648216936 /nfs/dbraw/zinc/21/69/36/648216936.db2.gz IQMPPCJROWRMLJ-QWRGUYRKSA-N 1 0 376.320 2.201 20 0 GEADRO C[C@@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000417040109 648222500 /nfs/dbraw/zinc/22/25/00/648222500.db2.gz VPXNOKHIIKLEOH-SIVJFFJCSA-N 1 0 384.933 2.409 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000417172280 648228083 /nfs/dbraw/zinc/22/80/83/648228083.db2.gz FRGDIKNZDJTXSC-GHMZBOCLSA-N 1 0 384.274 2.285 20 0 GEADRO Cc1csc([C@H](NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)C(F)(F)F)n1 ZINC000417175443 648228469 /nfs/dbraw/zinc/22/84/69/648228469.db2.gz JMZGTTQCGQGTQN-WOPDTQHZSA-N 1 0 380.436 2.151 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417212324 648232516 /nfs/dbraw/zinc/23/25/16/648232516.db2.gz GSIAGOTUNXIFKU-CQSZACIVSA-N 1 0 383.290 2.301 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417215730 648233322 /nfs/dbraw/zinc/23/33/22/648233322.db2.gz XIFHDWRJUAKPTC-DOMZBBRYSA-N 1 0 397.317 2.090 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000417221110 648233811 /nfs/dbraw/zinc/23/38/11/648233811.db2.gz NGNIEHDGZZIHGE-MRXNPFEDSA-N 1 0 387.933 2.321 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417226458 648234716 /nfs/dbraw/zinc/23/47/16/648234716.db2.gz OXXVIEYSVDBLHQ-BXUZGUMPSA-N 1 0 383.290 2.075 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417226081 648234763 /nfs/dbraw/zinc/23/47/63/648234763.db2.gz ONHJWAYWHSITAH-CYBMUJFWSA-N 1 0 397.317 2.419 20 0 GEADRO CN(C(=O)NCc1cn2cc(Br)ccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000417229094 648235164 /nfs/dbraw/zinc/23/51/64/648235164.db2.gz XAHFGYSOSPGIHZ-CQSZACIVSA-N 1 0 380.290 2.380 20 0 GEADRO CC1(CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000417231644 648235574 /nfs/dbraw/zinc/23/55/74/648235574.db2.gz YYKGEGNDRUPDTJ-UHFFFAOYSA-N 1 0 397.317 2.467 20 0 GEADRO C[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000417231456 648235661 /nfs/dbraw/zinc/23/56/61/648235661.db2.gz YLLLPRRKWKRSJL-CHWSQXEVSA-N 1 0 397.317 2.465 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417257302 648236809 /nfs/dbraw/zinc/23/68/09/648236809.db2.gz CDJVIQNKFPRRHM-DZGCQCFKSA-N 1 0 381.318 2.327 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417297984 648238195 /nfs/dbraw/zinc/23/81/95/648238195.db2.gz JYVYVRJDXVYOIN-CMPLNLGQSA-N 1 0 384.274 2.099 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417296979 648238224 /nfs/dbraw/zinc/23/82/24/648238224.db2.gz HYRMODVQNAXAMH-JQWIXIFHSA-N 1 0 384.274 2.099 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417297738 648238286 /nfs/dbraw/zinc/23/82/86/648238286.db2.gz JNBWRVXXBLSSEG-GFCCVEGCSA-N 1 0 398.301 2.361 20 0 GEADRO C[C@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000417314419 648239146 /nfs/dbraw/zinc/23/91/46/648239146.db2.gz RFNVPQKKEYXXMQ-BBRMVZONSA-N 1 0 381.318 2.199 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000417350715 648240225 /nfs/dbraw/zinc/24/02/25/648240225.db2.gz ABTPXQXWWFWJPJ-ZDUSSCGKSA-N 1 0 387.318 2.157 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000417371562 648241598 /nfs/dbraw/zinc/24/15/98/648241598.db2.gz WLSBJCDRVNQMJX-OLZOCXBDSA-N 1 0 397.317 2.478 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc(Br)c1OC ZINC000417383239 648242852 /nfs/dbraw/zinc/24/28/52/648242852.db2.gz YOZCRSPHVKJNJX-ZYHUDNBSSA-N 1 0 386.290 2.406 20 0 GEADRO COc1cc(CNC(=O)N(C)C2CC[NH2+]CC2)cc(Br)c1OC ZINC000417381185 648242871 /nfs/dbraw/zinc/24/28/71/648242871.db2.gz VXCDOJPWYSKRNR-UHFFFAOYSA-N 1 0 386.290 2.360 20 0 GEADRO CC(C)(CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000417426327 648244459 /nfs/dbraw/zinc/24/44/59/648244459.db2.gz GDSHPPOLOCWOPP-HNNXBMFYSA-N 1 0 384.318 2.486 20 0 GEADRO O=C(NCc1ccc(F)c(Cl)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417431365 648244870 /nfs/dbraw/zinc/24/48/70/648244870.db2.gz QXURMKHZRNMNDP-CYBMUJFWSA-N 1 0 382.789 2.114 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000417481096 648248605 /nfs/dbraw/zinc/24/86/05/648248605.db2.gz GZWKGZSVMFXING-GFCCVEGCSA-N 1 0 385.306 2.383 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000417480906 648248610 /nfs/dbraw/zinc/24/86/10/648248610.db2.gz NEDOCQPANDMURV-YUELXQCFSA-N 1 0 381.318 2.468 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000417480029 648248629 /nfs/dbraw/zinc/24/86/29/648248629.db2.gz FRXMVJUEHIHHLX-OLZOCXBDSA-N 1 0 397.317 2.478 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000417478925 648248688 /nfs/dbraw/zinc/24/86/88/648248688.db2.gz DWKOHBWTPNIQLW-NSHDSACASA-N 1 0 385.306 2.241 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417482489 648249111 /nfs/dbraw/zinc/24/91/11/648249111.db2.gz PUMSDPJKKWMVOL-YOEHRIQHSA-N 1 0 381.318 2.408 20 0 GEADRO O=C(NCCCNC(=O)c1ccc(Br)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000417483636 648249416 /nfs/dbraw/zinc/24/94/16/648249416.db2.gz JPIYJIJYTNPOKE-OAHLLOKOSA-N 1 0 397.317 2.010 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417483056 648249506 /nfs/dbraw/zinc/24/95/06/648249506.db2.gz RBXWFVLXOOOYAO-LSDHHAIUSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417603157 648255494 /nfs/dbraw/zinc/25/54/94/648255494.db2.gz QIALYESPOFVMRB-IPYPFGDCSA-N 1 0 381.318 2.325 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417602149 648255558 /nfs/dbraw/zinc/25/55/58/648255558.db2.gz NGYRZDGVKASFTO-IIAWOOMASA-N 1 0 393.329 2.421 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417600890 648255625 /nfs/dbraw/zinc/25/56/25/648255625.db2.gz KQVLLFQOHZUPOE-RBSFLKMASA-N 1 0 393.329 2.279 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CC2)CCCO1 ZINC000417658478 648257405 /nfs/dbraw/zinc/25/74/05/648257405.db2.gz JGZOZWVOOGFYOR-HNNXBMFYSA-N 1 0 382.302 2.240 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417718880 648258465 /nfs/dbraw/zinc/25/84/65/648258465.db2.gz CHKHNDGSRFDUSF-GXFFZTMASA-N 1 0 393.289 2.161 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417731369 648260249 /nfs/dbraw/zinc/26/02/49/648260249.db2.gz OSSACUAYESSJII-WDEREUQCSA-N 1 0 393.289 2.113 20 0 GEADRO CCC[NH2+]CCNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000417826957 648262900 /nfs/dbraw/zinc/26/29/00/648262900.db2.gz FARQNEYQKLQAIV-UHFFFAOYSA-N 1 0 378.786 2.200 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000417829266 648263134 /nfs/dbraw/zinc/26/31/34/648263134.db2.gz IIZDCFLNYUDSAJ-JTQLQIEISA-N 1 0 378.786 2.184 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000417880471 648264089 /nfs/dbraw/zinc/26/40/89/648264089.db2.gz CIDQXKPHKKSPLN-QGZVFWFLSA-N 1 0 395.345 2.417 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417882866 648264476 /nfs/dbraw/zinc/26/44/76/648264476.db2.gz GMKCJPANWFGENT-OAHLLOKOSA-N 1 0 383.334 2.450 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417899118 648265622 /nfs/dbraw/zinc/26/56/22/648265622.db2.gz KMULWUXKWNAPIQ-DGCLKSJQSA-N 1 0 388.281 2.278 20 0 GEADRO C[NH+](C)CCn1ccc(NCc2ccc(F)cc2I)n1 ZINC000417939687 648266559 /nfs/dbraw/zinc/26/65/59/648266559.db2.gz KPRURFDFIDQWAR-UHFFFAOYSA-N 1 0 388.228 2.801 20 0 GEADRO CCn1nncc1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000417925297 648266577 /nfs/dbraw/zinc/26/65/77/648266577.db2.gz YFFCUIIQJGVYMH-UHFFFAOYSA-N 1 0 380.290 2.199 20 0 GEADRO OCC[C@]1(C[NH2+]Cc2ccc(F)cc2I)CCOC1 ZINC000417933652 648266699 /nfs/dbraw/zinc/26/66/99/648266699.db2.gz NNJGCFSPZKOLIN-CQSZACIVSA-N 1 0 379.213 2.309 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)NCC(F)(F)CN)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417952933 648267277 /nfs/dbraw/zinc/26/72/77/648267277.db2.gz OWFYDLXISIRUMJ-BXUZGUMPSA-N 1 0 378.826 2.365 20 0 GEADRO O=C(NCCSCc1ccc(Cl)cc1Cl)NCCN1CC[NH2+]CC1 ZINC000417976515 648267819 /nfs/dbraw/zinc/26/78/19/648267819.db2.gz GGLFCLJIZNUUJM-UHFFFAOYSA-N 1 0 391.368 2.431 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000417988973 648268228 /nfs/dbraw/zinc/26/82/28/648268228.db2.gz KVKQRQACAKFYEG-ZIBATOQPSA-N 1 0 385.295 2.477 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)NCCCC[NH3+])C2=O)ccc1Br ZINC000418003102 648268672 /nfs/dbraw/zinc/26/86/72/648268672.db2.gz BECCHJVRRKBQSU-HNNXBMFYSA-N 1 0 397.317 2.291 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418007184 648268933 /nfs/dbraw/zinc/26/89/33/648268933.db2.gz QASRHRZPVRQIAW-SWLSCSKDSA-N 1 0 385.295 2.492 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CCCO1 ZINC000418009766 648269461 /nfs/dbraw/zinc/26/94/61/648269461.db2.gz SEQBTVVRHXUPGR-TZMCWYRMSA-N 1 0 387.311 2.331 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000418015136 648269991 /nfs/dbraw/zinc/26/99/91/648269991.db2.gz PMRUFWHVHQQSBZ-DOMZBBRYSA-N 1 0 397.317 2.289 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(F)cc2I)CC1 ZINC000418018407 648270901 /nfs/dbraw/zinc/27/09/01/648270901.db2.gz UOEFCYZQKNQFAR-GFCCVEGCSA-N 1 0 392.256 2.319 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCCC[C@H]3C[NH3+])nc12 ZINC000418024334 648271657 /nfs/dbraw/zinc/27/16/57/648271657.db2.gz MZKLTAHIGSMLRP-AWEZNQCLSA-N 1 0 380.290 2.428 20 0 GEADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418025458 648271713 /nfs/dbraw/zinc/27/17/13/648271713.db2.gz FVZFUDKUOOPDEG-CVEARBPZSA-N 1 0 384.318 2.448 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000418029676 648272337 /nfs/dbraw/zinc/27/23/37/648272337.db2.gz LNWWGXUZBHUTSU-XIRDDKMYSA-N 1 0 396.329 2.040 20 0 GEADRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)n(C)n1 ZINC000418048116 648273792 /nfs/dbraw/zinc/27/37/92/648273792.db2.gz KNBOLUNEKNIPDL-UHFFFAOYSA-N 1 0 377.297 2.103 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418071212 648275044 /nfs/dbraw/zinc/27/50/44/648275044.db2.gz SJJGWAGOXOJKAK-DGCLKSJQSA-N 1 0 386.290 2.278 20 0 GEADRO O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)N1CCC[NH2+]CC1 ZINC000418075258 648275434 /nfs/dbraw/zinc/27/54/34/648275434.db2.gz DPOKHIMUHYTKAB-AWEZNQCLSA-N 1 0 385.295 2.494 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418074767 648275472 /nfs/dbraw/zinc/27/54/72/648275472.db2.gz DCPCFFACAPLHAE-OCCSQVGLSA-N 1 0 385.295 2.492 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418082236 648276049 /nfs/dbraw/zinc/27/60/49/648276049.db2.gz POJMXMSHHWBKEQ-DDTOSNHZSA-N 1 0 385.295 2.396 20 0 GEADRO COCC[NH2+]CCNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418083666 648276442 /nfs/dbraw/zinc/27/64/42/648276442.db2.gz SUVOSRYGIAZNBG-CQSZACIVSA-N 1 0 389.327 2.497 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418085344 648276916 /nfs/dbraw/zinc/27/69/16/648276916.db2.gz XSODGSPTBQINQF-FZMZJTMJSA-N 1 0 385.295 2.350 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCc1ccc(Cl)cc1I)C1CC1 ZINC000418087240 648277352 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C[C@H](CCC[NH3+])NC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000418096447 648279044 /nfs/dbraw/zinc/27/90/44/648279044.db2.gz XDEMHIHWQPOESD-SNVBAGLBSA-N 1 0 381.420 2.036 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418101230 648279568 /nfs/dbraw/zinc/27/95/68/648279568.db2.gz FRDNELUTTXMBQC-MRXNPFEDSA-N 1 0 384.322 2.211 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418101229 648279584 /nfs/dbraw/zinc/27/95/84/648279584.db2.gz FRDNELUTTXMBQC-INIZCTEOSA-N 1 0 384.322 2.211 20 0 GEADRO [NH3+]CC1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000418102399 648280014 /nfs/dbraw/zinc/28/00/14/648280014.db2.gz RLSQVQVNERWGIB-OAHLLOKOSA-N 1 0 381.318 2.408 20 0 GEADRO OC[C@H]([NH2+]Cc1ccc(F)cc1I)[C@H]1CCCOC1 ZINC000418106434 648280530 /nfs/dbraw/zinc/28/05/30/648280530.db2.gz XGJVSIZAWVHHRG-FZMZJTMJSA-N 1 0 379.213 2.307 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418107351 648280828 /nfs/dbraw/zinc/28/08/28/648280828.db2.gz ZCXWOLPDHZOETK-INWMFGNUSA-N 1 0 381.318 2.325 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)NCc2ccc(I)cc2Cl)C1 ZINC000418121471 648282875 /nfs/dbraw/zinc/28/28/75/648282875.db2.gz ISFYPBFQAHUQRK-JTQLQIEISA-N 1 0 379.629 2.187 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(I)cc1Cl ZINC000418129747 648283788 /nfs/dbraw/zinc/28/37/88/648283788.db2.gz VEMWBXHGGPOJDB-YUMQZZPRSA-N 1 0 381.645 2.480 20 0 GEADRO O=C(NCc1ccc(I)cc1Cl)NC1CC[NH2+]CC1 ZINC000418130406 648283864 /nfs/dbraw/zinc/28/38/64/648283864.db2.gz WJAKOKXDDUUGMS-UHFFFAOYSA-N 1 0 393.656 2.496 20 0 GEADRO Cc1cc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)ccc1I ZINC000418140667 648284599 /nfs/dbraw/zinc/28/45/99/648284599.db2.gz JXVGHBLVEOYSOH-SMDDNHRTSA-N 1 0 387.265 2.397 20 0 GEADRO Cc1cc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)ccc1I ZINC000418140662 648284660 /nfs/dbraw/zinc/28/46/60/648284660.db2.gz JXVGHBLVEOYSOH-BXUZGUMPSA-N 1 0 387.265 2.397 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)[C@@H](C[NH3+])C1 ZINC000418146695 648285072 /nfs/dbraw/zinc/28/50/72/648285072.db2.gz ABRQYESGIWZRBH-JMSVASOKSA-N 1 0 398.301 2.420 20 0 GEADRO COCC[C@H](NC(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000418157499 648285464 /nfs/dbraw/zinc/28/54/64/648285464.db2.gz CBDMAIOJJMMELA-DOMZBBRYSA-N 1 0 376.284 2.440 20 0 GEADRO [NH3+][C@@H](CNC(=O)NCc1ccc(I)c(Cl)c1)C1CC1 ZINC000418157221 648285576 /nfs/dbraw/zinc/28/55/76/648285576.db2.gz MNZPVNIXLNDEAV-LBPRGKRZSA-N 1 0 393.656 2.481 20 0 GEADRO COCC[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000418173884 648286680 /nfs/dbraw/zinc/28/66/80/648286680.db2.gz TUOLQVDBKSRYCP-CJNGLKHVSA-N 1 0 389.327 2.274 20 0 GEADRO COCC[C@@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000418173827 648286751 /nfs/dbraw/zinc/28/67/51/648286751.db2.gz SUHIKCJJWFWKQK-MRXNPFEDSA-N 1 0 389.327 2.275 20 0 GEADRO [NH3+]CCN(CCc1ccccc1)C(=O)NCCCn1cc(Br)cn1 ZINC000418200060 648287813 /nfs/dbraw/zinc/28/78/13/648287813.db2.gz YAVRHZBNULJGKF-UHFFFAOYSA-N 1 0 394.317 2.249 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418226876 648288193 /nfs/dbraw/zinc/28/81/93/648288193.db2.gz BQIXQARFRAOAJZ-BBRMVZONSA-N 1 0 387.933 2.415 20 0 GEADRO C[C@@]1(CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000418228951 648288606 /nfs/dbraw/zinc/28/86/06/648288606.db2.gz FYOQBKQUSBBTGB-QGZVFWFLSA-N 1 0 387.933 2.193 20 0 GEADRO C[C@@H]1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000418229529 648288621 /nfs/dbraw/zinc/28/86/21/648288621.db2.gz HHCCGIOWWHFMIL-HIFRSBDPSA-N 1 0 387.933 2.273 20 0 GEADRO C[C@H]1CN(C(=O)NCc2c(Br)cncc2Br)CC[NH2+]1 ZINC000418233667 648288879 /nfs/dbraw/zinc/28/88/79/648288879.db2.gz HFBGHFKDMPFWFC-QMMMGPOBSA-N 1 0 392.095 2.110 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1c(Br)cncc1Br ZINC000418241377 648289833 /nfs/dbraw/zinc/28/98/33/648289833.db2.gz SQJFVYLJHTZVGB-RNFRBKRXSA-N 1 0 380.084 2.142 20 0 GEADRO CN(C(=O)NCc1c(Br)cncc1Br)C1CC([NH3+])C1 ZINC000418243813 648290201 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[NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000418789187 648312909 /nfs/dbraw/zinc/31/29/09/648312909.db2.gz LUMHFPICJQQVOF-IJEWVQPXSA-N 1 0 384.318 2.027 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000418795756 648313043 /nfs/dbraw/zinc/31/30/43/648313043.db2.gz SLIAYSGXCZXDFD-DOMZBBRYSA-N 1 0 376.284 2.095 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418811355 648313467 /nfs/dbraw/zinc/31/34/67/648313467.db2.gz PURAHUAPWARUMN-HBNTYKKESA-N 1 0 388.331 2.116 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000418811624 648313502 /nfs/dbraw/zinc/31/35/02/648313502.db2.gz ANTKLWZVKUHSCJ-KFYUAXIPSA-N 1 0 384.307 2.470 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000418820367 648314033 /nfs/dbraw/zinc/31/40/33/648314033.db2.gz FKWDJZNDJYPPPI-HZUKXOBISA-N 1 0 394.313 2.007 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000418823806 648314782 /nfs/dbraw/zinc/31/47/82/648314782.db2.gz CKDWHONKAYHBBK-WCFLWFBJSA-N 1 0 388.295 2.135 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@H]1C[NH3+] ZINC000418832766 648315455 /nfs/dbraw/zinc/31/54/55/648315455.db2.gz QAZJVPLGXSUHHF-YUDUHTQSSA-N 1 0 394.313 2.007 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000418840001 648316179 /nfs/dbraw/zinc/31/61/79/648316179.db2.gz XGUZIVGUPADNKR-XABYNWHXSA-N 1 0 394.313 2.007 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418841203 648316258 /nfs/dbraw/zinc/31/62/58/648316258.db2.gz GPZYCGIFVLJGLO-MLGOLLRUSA-N 1 0 396.329 2.130 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418839944 648316289 /nfs/dbraw/zinc/31/62/89/648316289.db2.gz DIIFGXAEAHQFNM-CZUORRHYSA-N 1 0 398.345 2.328 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418842200 648316512 /nfs/dbraw/zinc/31/65/12/648316512.db2.gz HZRLALNUNUQGTG-CZUORRHYSA-N 1 0 396.329 2.097 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000418847110 648317055 /nfs/dbraw/zinc/31/70/55/648317055.db2.gz URRKFHNOVYWNFQ-LBPRGKRZSA-N 1 0 384.318 2.130 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000418848926 648317370 /nfs/dbraw/zinc/31/73/70/648317370.db2.gz LYNSYYKMLWBMBO-STQMWFEESA-N 1 0 382.302 2.132 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000418872107 648319921 /nfs/dbraw/zinc/31/99/21/648319921.db2.gz WCANIUIBNIPMLT-VXGBXAGGSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418937406 648322511 /nfs/dbraw/zinc/32/25/11/648322511.db2.gz LCKYVQXJDBVIPY-BLLLJJGKSA-N 1 0 394.313 2.214 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418938633 648322921 /nfs/dbraw/zinc/32/29/21/648322921.db2.gz LSUPKIAGOORBQS-IAQYHMDHSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418938626 648322986 /nfs/dbraw/zinc/32/29/86/648322986.db2.gz LSUPKIAGOORBQS-ABAIWWIYSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)[C@@H]1C[NH3+] ZINC000418941376 648323410 /nfs/dbraw/zinc/32/34/10/648323410.db2.gz KIUVCKLGDIRDQC-HFBAOOFYSA-N 1 0 394.313 2.138 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418945604 648323785 /nfs/dbraw/zinc/32/37/85/648323785.db2.gz MYJCZWISMBONEC-CVEARBPZSA-N 1 0 394.313 2.356 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)CCC[NH2+]C1 ZINC000418947588 648324102 /nfs/dbraw/zinc/32/41/02/648324102.db2.gz SNSIMFJLDWPWEU-MAUKXSAKSA-N 1 0 394.313 2.059 20 0 GEADRO O=C(NCCc1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418949584 648324461 /nfs/dbraw/zinc/32/44/61/648324461.db2.gz VAVBYQOEMKIMDN-YNEHKIRRSA-N 1 0 384.307 2.156 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418949012 648324466 /nfs/dbraw/zinc/32/44/66/648324466.db2.gz UNMLRVABYGTDHM-HIFRSBDPSA-N 1 0 382.302 2.042 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)[C@H](C[NH3+])C1 ZINC000418954579 648325267 /nfs/dbraw/zinc/32/52/67/648325267.db2.gz OIRAGWRFMUSCCM-WCFLWFBJSA-N 1 0 388.295 2.135 20 0 GEADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)C(=O)NC1CC[NH2+]CC1 ZINC000418965232 648326118 /nfs/dbraw/zinc/32/61/18/648326118.db2.gz KXDIKXLQJPLFEG-UHFFFAOYSA-N 1 0 383.279 2.002 20 0 GEADRO Cc1sc([C@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000418977675 648326496 /nfs/dbraw/zinc/32/64/96/648326496.db2.gz WENJAYCMLIDQJT-ZJUUUORDSA-N 1 0 380.901 2.413 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1Br ZINC000418994300 648326917 /nfs/dbraw/zinc/32/69/17/648326917.db2.gz QBMJCTPGBQGZPH-ZFWWWQNUSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ncc(Br)c(OC(C)(C)C)n1 ZINC000419007218 648327056 /nfs/dbraw/zinc/32/70/56/648327056.db2.gz UCQCKBUUKYWXAF-VXGBXAGGSA-N 1 0 387.322 2.308 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419016100 648327273 /nfs/dbraw/zinc/32/72/73/648327273.db2.gz CNRBWCHCOYMJLA-CZUORRHYSA-N 1 0 398.345 2.376 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419016541 648327672 /nfs/dbraw/zinc/32/76/72/648327672.db2.gz DRTCJACUSICFDF-WOSRLPQWSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419024103 648328214 /nfs/dbraw/zinc/32/82/14/648328214.db2.gz QBRXDARSVGBBAA-CZUORRHYSA-N 1 0 396.329 2.145 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419034166 648328980 /nfs/dbraw/zinc/32/89/80/648328980.db2.gz CZUWUAMPINBKGM-RISCZKNCSA-N 1 0 398.301 2.023 20 0 GEADRO Cc1sc(CNC(=O)C(=O)NCCCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000419042660 648329453 /nfs/dbraw/zinc/32/94/53/648329453.db2.gz HTQAWMKHTJXYAB-UHFFFAOYSA-N 1 0 380.901 2.243 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000419045952 648329803 /nfs/dbraw/zinc/32/98/03/648329803.db2.gz UULSXBGHNZSKGZ-VHSXEESVSA-N 1 0 380.436 2.171 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419048475 648329988 /nfs/dbraw/zinc/32/99/88/648329988.db2.gz ADUPUPBPORNHIW-INWMFGNUSA-N 1 0 396.329 2.130 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000419048519 648330174 /nfs/dbraw/zinc/33/01/74/648330174.db2.gz AHLPBEDDMTWYSH-GZBFAFLISA-N 1 0 396.329 2.095 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419054649 648330760 /nfs/dbraw/zinc/33/07/60/648330760.db2.gz MINYMUZDGMTMNF-WBMJQRKESA-N 1 0 396.329 2.130 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC000419053064 648330812 /nfs/dbraw/zinc/33/08/12/648330812.db2.gz IYBBPCVYHOUSQW-CQSZACIVSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419056934 648331499 /nfs/dbraw/zinc/33/14/99/648331499.db2.gz SMWDSVHAVQCJHC-RDTXWAMCSA-N 1 0 396.329 2.084 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419060621 648331902 /nfs/dbraw/zinc/33/19/02/648331902.db2.gz ZOLFHSCHSQZAMX-MNOVXSKESA-N 1 0 388.693 2.105 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000419058518 648331920 /nfs/dbraw/zinc/33/19/20/648331920.db2.gz WEILHEIJAVLLMO-LBPRGKRZSA-N 1 0 384.318 2.130 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000419066439 648332065 /nfs/dbraw/zinc/33/20/65/648332065.db2.gz JONKTUHCPCRZDI-OAHLLOKOSA-N 1 0 384.318 2.206 20 0 GEADRO O=C(NCCSCc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH2+]CC1 ZINC000419089570 648333349 /nfs/dbraw/zinc/33/33/49/648333349.db2.gz ACPUVHHDVRMRKC-UHFFFAOYSA-N 1 0 390.336 2.211 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C1CC1 ZINC000419127834 648335871 /nfs/dbraw/zinc/33/58/71/648335871.db2.gz STBNUBKJJXKJHL-HZPDHXFCSA-N 1 0 377.897 2.461 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419133945 648336714 /nfs/dbraw/zinc/33/67/14/648336714.db2.gz JHEJXZWTVLEPEQ-KRWDZBQOSA-N 1 0 388.295 2.076 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000419151121 648337002 /nfs/dbraw/zinc/33/70/02/648337002.db2.gz NBWKEBXSKPGLHT-STQMWFEESA-N 1 0 382.302 2.084 20 0 GEADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)NCc1ccccc1Br ZINC000419153854 648337529 /nfs/dbraw/zinc/33/75/29/648337529.db2.gz WWMJHOPRJGCZQB-UHFFFAOYSA-N 1 0 396.329 2.494 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000419154518 648337661 /nfs/dbraw/zinc/33/76/61/648337661.db2.gz RMKVBYSTOCVAPY-NJZAAPMLSA-N 1 0 382.302 2.260 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419168613 648338850 /nfs/dbraw/zinc/33/88/50/648338850.db2.gz SRGVACNDOPJGIL-SWLSCSKDSA-N 1 0 382.302 2.102 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1Br ZINC000419163089 648338854 /nfs/dbraw/zinc/33/88/54/648338854.db2.gz IYZXPOOOOWCZGI-JSGCOSHPSA-N 1 0 382.302 2.102 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2cccc(C)c2Br)CC1 ZINC000419170249 648339215 /nfs/dbraw/zinc/33/92/15/648339215.db2.gz VSOOIGKSAAPDSS-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCCc2ccc(Br)cc2)CCCCCC1 ZINC000419185959 648340147 /nfs/dbraw/zinc/34/01/47/648340147.db2.gz HSYAREHCOFZJDB-UHFFFAOYSA-N 1 0 396.329 2.276 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)CC[C@@H]1[NH3+] ZINC000419187064 648340308 /nfs/dbraw/zinc/34/03/08/648340308.db2.gz MWIFLCFVQUHPPY-DOMZBBRYSA-N 1 0 396.329 2.039 20 0 GEADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2ccsc2Br)cc1 ZINC000419193614 648340451 /nfs/dbraw/zinc/34/04/51/648340451.db2.gz ZLPIESVKYAGMPL-JTQLQIEISA-N 1 0 396.310 2.463 20 0 GEADRO CC1(CNC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000419199699 648341098 /nfs/dbraw/zinc/34/10/98/648341098.db2.gz AEUBVOPMWOPBCA-AWEZNQCLSA-N 1 0 381.929 2.499 20 0 GEADRO COc1nc(N2CC[NH+](C[C@H](CC(C)C)OC)CC2)ncc1Br ZINC000419227721 648342212 /nfs/dbraw/zinc/34/22/12/648342212.db2.gz FZBLQLNTFBWWGN-ZDUSSCGKSA-N 1 0 387.322 2.431 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419284481 648344559 /nfs/dbraw/zinc/34/45/59/648344559.db2.gz ONIBDQPGFKTJQE-KWCYVHTRSA-N 1 0 384.307 2.109 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419283505 648344562 /nfs/dbraw/zinc/34/45/62/648344562.db2.gz NFZPUHANEXJGTA-SGTLLEGYSA-N 1 0 384.307 2.253 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419296696 648345283 /nfs/dbraw/zinc/34/52/83/648345283.db2.gz FDDYDHDITMWKAE-KBPBESRZSA-N 1 0 396.329 2.186 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000419299708 648345530 /nfs/dbraw/zinc/34/55/30/648345530.db2.gz KNHHLFKUCXXEHH-CQSZACIVSA-N 1 0 384.318 2.316 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419300999 648346024 /nfs/dbraw/zinc/34/60/24/648346024.db2.gz NABVIDAIZMKMRX-CQSZACIVSA-N 1 0 396.329 2.270 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419304619 648346455 /nfs/dbraw/zinc/34/64/55/648346455.db2.gz UWUUQTSJBXNJRC-CJNGLKHVSA-N 1 0 396.329 2.316 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419304620 648346579 /nfs/dbraw/zinc/34/65/79/648346579.db2.gz UWUUQTSJBXNJRC-CZUORRHYSA-N 1 0 396.329 2.316 20 0 GEADRO Cc1cc(NC(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1Br ZINC000419322251 648346907 /nfs/dbraw/zinc/34/69/07/648346907.db2.gz HGCYMXUWVRLZMJ-UONOGXRCSA-N 1 0 384.318 2.083 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)Cc1cccc(Br)c1 ZINC000419360739 648349896 /nfs/dbraw/zinc/34/98/96/648349896.db2.gz MBRMQENLLRSKMG-UONOGXRCSA-N 1 0 398.345 2.106 20 0 GEADRO CC[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)Cc1cccc(Br)c1 ZINC000419366155 648350509 /nfs/dbraw/zinc/35/05/09/648350509.db2.gz SBKCLGGZHYJSKS-XJKSGUPXSA-N 1 0 398.345 2.234 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000419433740 648352908 /nfs/dbraw/zinc/35/29/08/648352908.db2.gz ZXKAPXUCWHARBJ-VXGBXAGGSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419477617 648353960 /nfs/dbraw/zinc/35/39/60/648353960.db2.gz RROLAYGEYIARFW-KFWWJZLASA-N 1 0 398.345 2.477 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000419509191 648354998 /nfs/dbraw/zinc/35/49/98/648354998.db2.gz DMMBMEDXMHPYCB-SFHVURJKSA-N 1 0 396.329 2.040 20 0 GEADRO CN(C(=O)C(=O)N[C@@H]1CCc2c1cccc2Br)[C@H]1CCC[NH2+]CC1 ZINC000419580563 648356773 /nfs/dbraw/zinc/35/67/73/648356773.db2.gz BRSXVTHTFYEAJT-BLLLJJGKSA-N 1 0 394.313 2.153 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCCC[NH2+]C1CC1)c1cccc(Br)c1 ZINC000419523591 648356784 /nfs/dbraw/zinc/35/67/84/648356784.db2.gz OPOXFOWMZDVXSL-UHFFFAOYSA-N 1 0 396.329 2.101 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)s1 ZINC000419674459 648362620 /nfs/dbraw/zinc/36/26/20/648362620.db2.gz ACOQERVIHDTQDH-DCAQKATOSA-N 1 0 388.331 2.131 20 0 GEADRO COc1cc(F)c(Br)cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000419691153 648365281 /nfs/dbraw/zinc/36/52/81/648365281.db2.gz DMPZCPYDMPCMME-UHFFFAOYSA-N 1 0 390.253 2.040 20 0 GEADRO OC[C@H]([NH2+]Cc1c(Br)cncc1Br)C1CCOCC1 ZINC000419695895 648366039 /nfs/dbraw/zinc/36/60/39/648366039.db2.gz TYTWSUWTPXANNL-ZDUSSCGKSA-N 1 0 394.107 2.484 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)C1CCCC1 ZINC000419736307 648373304 /nfs/dbraw/zinc/37/33/04/648373304.db2.gz XDBQQDBRYZDXDJ-STQMWFEESA-N 1 0 386.279 2.177 20 0 GEADRO NS(=O)(=O)c1ccc(CNc2cc3c(c[nH+]2)CCCC3)cc1Br ZINC000419743537 648373752 /nfs/dbraw/zinc/37/37/52/648373752.db2.gz HBTKQADMGDQHAP-UHFFFAOYSA-N 1 0 396.310 2.982 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1Cl ZINC000419748759 648374323 /nfs/dbraw/zinc/37/43/23/648374323.db2.gz PBINWCDGPGGFCS-CYBMUJFWSA-N 1 0 383.876 2.495 20 0 GEADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419754045 648374945 /nfs/dbraw/zinc/37/49/45/648374945.db2.gz OOZQPVCVTXXQME-GUTXKFCHSA-N 1 0 384.307 2.109 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000419757150 648375405 /nfs/dbraw/zinc/37/54/05/648375405.db2.gz IAVLYPWOYWXRKD-SNVBAGLBSA-N 1 0 380.901 2.285 20 0 GEADRO CC[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)c1cc(F)cc(Br)c1 ZINC000419771849 648377369 /nfs/dbraw/zinc/37/73/69/648377369.db2.gz FYXXXOJVTQGSBT-AWEZNQCLSA-N 1 0 386.265 2.105 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419776489 648377622 /nfs/dbraw/zinc/37/76/22/648377622.db2.gz KTOOCSXOAZGBPN-OTYXRUKQSA-N 1 0 386.265 2.009 20 0 GEADRO O=C(N[C@H](CC1CC1)c1cc(F)cc(Br)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419784131 648378736 /nfs/dbraw/zinc/37/87/36/648378736.db2.gz UGVINDJQFKQDQE-HUUCEWRRSA-N 1 0 398.276 2.024 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419798959 648379661 /nfs/dbraw/zinc/37/96/61/648379661.db2.gz WIROGBYTNNPQTP-UHFFFAOYSA-N 1 0 384.307 2.254 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000419803123 648380047 /nfs/dbraw/zinc/38/00/47/648380047.db2.gz BTEXDUFVSRUIIE-WFASDCNBSA-N 1 0 384.318 2.130 20 0 GEADRO CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)C(=O)NCC[NH3+] ZINC000419822093 648382364 /nfs/dbraw/zinc/38/23/64/648382364.db2.gz VMMAHGOLRNWUBC-UHFFFAOYSA-N 1 0 396.702 2.339 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419836637 648384121 /nfs/dbraw/zinc/38/41/21/648384121.db2.gz ZMRRYAKRANBRDE-INWMFGNUSA-N 1 0 396.329 2.130 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000419842318 648384315 /nfs/dbraw/zinc/38/43/15/648384315.db2.gz VPDXEFQVEZRDLO-UHFFFAOYSA-N 1 0 388.295 2.076 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419865545 648386380 /nfs/dbraw/zinc/38/63/80/648386380.db2.gz PJXNPCALTPNEGL-OAHLLOKOSA-N 1 0 382.302 2.041 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419868864 648386422 /nfs/dbraw/zinc/38/64/22/648386422.db2.gz VVIXKGMDMFDEJT-OLZOCXBDSA-N 1 0 382.302 2.084 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N(CCC)Cc1ccccc1Br ZINC000419908333 648387666 /nfs/dbraw/zinc/38/76/66/648387666.db2.gz IDOATKOYZDHHRA-UHFFFAOYSA-N 1 0 384.318 2.304 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419909857 648387706 /nfs/dbraw/zinc/38/77/06/648387706.db2.gz ZKVXMMDAYIIDBR-HIFRSBDPSA-N 1 0 396.329 2.302 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCc2c(Br)cccc2[C@H]1C ZINC000419911206 648388209 /nfs/dbraw/zinc/38/82/09/648388209.db2.gz SCOKBCCYCROZIU-GFCCVEGCSA-N 1 0 382.302 2.011 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419911779 648388241 /nfs/dbraw/zinc/38/82/41/648388241.db2.gz KBMJGAMHHOQLJK-QWHCGFSZSA-N 1 0 394.313 2.011 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419933268 648389916 /nfs/dbraw/zinc/38/99/16/648389916.db2.gz GHKNSQISDDEABO-CVEARBPZSA-N 1 0 394.313 2.371 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000419939112 648390232 /nfs/dbraw/zinc/39/02/32/648390232.db2.gz QRPMZXGBCSIMSO-CVEARBPZSA-N 1 0 381.929 2.215 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939043 648390246 /nfs/dbraw/zinc/39/02/46/648390246.db2.gz QKAAPYXTYWRLBG-MRXNPFEDSA-N 1 0 396.329 2.444 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419949424 648390682 /nfs/dbraw/zinc/39/06/82/648390682.db2.gz LEMVJQGLRKNIFN-ZDUSSCGKSA-N 1 0 396.329 2.127 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419991622 648393604 /nfs/dbraw/zinc/39/36/04/648393604.db2.gz GZTWOHGJFUPYSU-ABAIWWIYSA-N 1 0 390.311 2.319 20 0 GEADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420009036 648395439 /nfs/dbraw/zinc/39/54/39/648395439.db2.gz VFUHKXZYCJVXDF-NSHDSACASA-N 1 0 388.281 2.179 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420008803 648395492 /nfs/dbraw/zinc/39/54/92/648395492.db2.gz CAZKGMBBDBKINF-PWSUYJOCSA-N 1 0 388.331 2.103 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000420019334 648396458 /nfs/dbraw/zinc/39/64/58/648396458.db2.gz BQWDZKFHAPMFNX-LBPRGKRZSA-N 1 0 382.302 2.184 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000420050570 648397949 /nfs/dbraw/zinc/39/79/49/648397949.db2.gz FPMUKJYOUKYNOD-LBPRGKRZSA-N 1 0 388.295 2.217 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420056162 648398925 /nfs/dbraw/zinc/39/89/25/648398925.db2.gz BARCNQKQHXUKND-HNNXBMFYSA-N 1 0 382.302 2.041 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420067983 648399150 /nfs/dbraw/zinc/39/91/50/648399150.db2.gz SNHWJQALDJTPIH-GXFFZTMASA-N 1 0 388.331 2.103 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NCC([NH3+])(CC)CC ZINC000420080805 648400282 /nfs/dbraw/zinc/40/02/82/648400282.db2.gz LUPSJFKOHQPRPN-UHFFFAOYSA-N 1 0 384.318 2.431 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420102443 648401479 /nfs/dbraw/zinc/40/14/79/648401479.db2.gz NRVPRZLNACLHMJ-JMSVASOKSA-N 1 0 382.302 2.083 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420108399 648402016 /nfs/dbraw/zinc/40/20/16/648402016.db2.gz XFKRKLFFYBWPQA-WBMJQRKESA-N 1 0 394.313 2.054 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420129875 648404328 /nfs/dbraw/zinc/40/43/28/648404328.db2.gz QZNCFXIOVXTRDI-CJNGLKHVSA-N 1 0 396.329 2.300 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000420136944 648405005 /nfs/dbraw/zinc/40/50/05/648405005.db2.gz GCTVAYRIIQYBJR-DGCLKSJQSA-N 1 0 388.295 2.087 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000420151166 648405967 /nfs/dbraw/zinc/40/59/67/648405967.db2.gz BBYYTEAMFZTKFL-NEPJUHHUSA-N 1 0 390.311 2.333 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420162600 648407069 /nfs/dbraw/zinc/40/70/69/648407069.db2.gz KPWVOKMMQREHDL-WFASDCNBSA-N 1 0 382.302 2.054 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420174470 648407860 /nfs/dbraw/zinc/40/78/60/648407860.db2.gz WWRGCMUUMWNPMG-ZOWXZIJZSA-N 1 0 382.302 2.225 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000420176316 648408325 /nfs/dbraw/zinc/40/83/25/648408325.db2.gz WOTZIGMGKZNNBL-IAQYHMDHSA-N 1 0 388.295 2.008 20 0 GEADRO NS(=O)(=O)c1cc(F)c(NCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000420209312 648409162 /nfs/dbraw/zinc/40/91/62/648409162.db2.gz RPKVUYUUGVIORW-SECBINFHSA-N 1 0 380.283 2.037 20 0 GEADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420215162 648409765 /nfs/dbraw/zinc/40/97/65/648409765.db2.gz RZZCJDXLFVTARV-YNEHKIRRSA-N 1 0 384.307 2.456 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420212255 648409837 /nfs/dbraw/zinc/40/98/37/648409837.db2.gz UCVDYPBYDPMFMB-AGIUHOORSA-N 1 0 394.313 2.138 20 0 GEADRO Ic1ccc2ncnc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000420253411 648411829 /nfs/dbraw/zinc/41/18/29/648411829.db2.gz DNVFZAPVZGBSRK-GHMZBOCLSA-N 1 0 380.233 2.280 20 0 GEADRO O=c1c(Cl)c(Cl)cnn1-c1ccc(NC[C@@H]2C[NH2+]C[C@@H]2O)c(Cl)c1 ZINC000420257411 648411842 /nfs/dbraw/zinc/41/18/42/648411842.db2.gz WIKAWOBBEBFPOM-SDBXPKJASA-N 1 0 389.670 2.185 20 0 GEADRO CC(C)Cc1ncnc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1I ZINC000420267935 648412426 /nfs/dbraw/zinc/41/24/26/648412426.db2.gz XDHFXYMEXMZSOH-RYUDHWBXSA-N 1 0 386.281 2.325 20 0 GEADRO O=C1[C@@H](N2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000420349120 648413371 /nfs/dbraw/zinc/41/33/71/648413371.db2.gz NUWBNUXMIBQMFQ-YOEHRIQHSA-N 1 0 383.323 2.078 20 0 GEADRO O=C1[C@@H](N2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345242 648413494 /nfs/dbraw/zinc/41/34/94/648413494.db2.gz ADWQJEKHGTVQEZ-YOEHRIQHSA-N 1 0 383.323 2.078 20 0 GEADRO O=C1[C@@H](N2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000420349117 648413665 /nfs/dbraw/zinc/41/36/65/648413665.db2.gz NUWBNUXMIBQMFQ-PBHICJAKSA-N 1 0 383.323 2.078 20 0 GEADRO C[NH2+]CCCN(C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000420391724 648415072 /nfs/dbraw/zinc/41/50/72/648415072.db2.gz UDJIQONTQLQAFE-NSHDSACASA-N 1 0 375.254 2.160 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420413575 648416464 /nfs/dbraw/zinc/41/64/64/648416464.db2.gz ZLTAGPCWLVRCKM-GOSISDBHSA-N 1 0 396.329 2.114 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1I ZINC000420447050 648417124 /nfs/dbraw/zinc/41/71/24/648417124.db2.gz ITIQBDJLBFVLTQ-LBPRGKRZSA-N 1 0 396.294 2.251 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420472000 648419670 /nfs/dbraw/zinc/41/96/70/648419670.db2.gz BKUOKWMQMYCYBK-MNOVXSKESA-N 1 0 377.304 2.063 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC000420472021 648419738 /nfs/dbraw/zinc/41/97/38/648419738.db2.gz BMIKGAMDTIBUFG-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)nn1 ZINC000420474563 648420337 /nfs/dbraw/zinc/42/03/37/648420337.db2.gz FUKUZKDBGBXMMV-LLVKDONJSA-N 1 0 390.296 2.069 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420473098 648420339 /nfs/dbraw/zinc/42/03/39/648420339.db2.gz CVOBDVZWFPRNBP-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420475287 648420927 /nfs/dbraw/zinc/42/09/27/648420927.db2.gz MHGPRLYSBXDTMC-ZDUSSCGKSA-N 1 0 381.242 2.244 20 0 GEADRO C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000420480262 648421421 /nfs/dbraw/zinc/42/14/21/648421421.db2.gz OOBZEHBOXYLPFJ-RKDXNWHRSA-N 1 0 383.258 2.333 20 0 GEADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)CCOCCOC ZINC000420655873 648427269 /nfs/dbraw/zinc/42/72/69/648427269.db2.gz CSCJSAARBDSEHX-UHFFFAOYSA-N 1 0 378.579 2.391 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(Br)c1 ZINC000420740283 648446664 /nfs/dbraw/zinc/44/66/64/648446664.db2.gz QYAVDVMEIZHJQE-LLVKDONJSA-N 1 0 377.304 2.172 20 0 GEADRO CNC(=O)[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000420976464 648460546 /nfs/dbraw/zinc/46/05/46/648460546.db2.gz PEEXQFXFEJIHJC-CJNGLKHVSA-N 1 0 394.313 2.321 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1Br ZINC000421114215 648467139 /nfs/dbraw/zinc/46/71/39/648467139.db2.gz TVUCVJFHNDLZRH-LLVKDONJSA-N 1 0 383.290 2.367 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421188893 648468575 /nfs/dbraw/zinc/46/85/75/648468575.db2.gz LLXFAUXZLYCFRY-CHWSQXEVSA-N 1 0 394.313 2.327 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421207141 648471080 /nfs/dbraw/zinc/47/10/80/648471080.db2.gz JPDWFKLQWBDSRP-ZDUSSCGKSA-N 1 0 394.313 2.138 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421242309 648477762 /nfs/dbraw/zinc/47/77/62/648477762.db2.gz YOLJFWOHYQBZIO-CYBMUJFWSA-N 1 0 394.313 2.279 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000421412917 648490997 /nfs/dbraw/zinc/49/09/97/648490997.db2.gz UPWPFRKMKDQGRL-XJKSGUPXSA-N 1 0 398.345 2.488 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000421561042 648497451 /nfs/dbraw/zinc/49/74/51/648497451.db2.gz PTTPHIYWEBETKX-CQSZACIVSA-N 1 0 396.329 2.364 20 0 GEADRO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(I)c1 ZINC000421708914 648505852 /nfs/dbraw/zinc/50/58/52/648505852.db2.gz BNPIJJMMMHWIBN-LLVKDONJSA-N 1 0 388.249 2.466 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000422006250 648517545 /nfs/dbraw/zinc/51/75/45/648517545.db2.gz LJYUIYNELYFZQN-UHFFFAOYSA-N 1 0 382.302 2.168 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422022892 648518925 /nfs/dbraw/zinc/51/89/25/648518925.db2.gz OKTDZUFPAMZHDL-WFASDCNBSA-N 1 0 382.302 2.120 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000422088486 648521067 /nfs/dbraw/zinc/52/10/67/648521067.db2.gz HIWFFPDJTIGUMC-GFCCVEGCSA-N 1 0 388.331 2.068 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422280489 648533152 /nfs/dbraw/zinc/53/31/52/648533152.db2.gz HNOPKTWVYXYOIP-UHFFFAOYSA-N 1 0 384.318 2.222 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)NCCc1cccc(Br)c1)C1CCCC1 ZINC000422298980 648534991 /nfs/dbraw/zinc/53/49/91/648534991.db2.gz SOSSTGPVSWONCO-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Br)cn1 ZINC000422382264 648541410 /nfs/dbraw/zinc/54/14/10/648541410.db2.gz RSNJDNKPFOSCRX-LBPRGKRZSA-N 1 0 397.317 2.012 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422472258 648548139 /nfs/dbraw/zinc/54/81/39/648548139.db2.gz CCBHQJQPLSJKCK-UHFFFAOYSA-N 1 0 398.345 2.298 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CS1 ZINC000422511852 648554270 /nfs/dbraw/zinc/55/42/70/648554270.db2.gz VJXSBRNOCHUQAB-CJNGLKHVSA-N 1 0 383.945 2.240 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1Cl ZINC000422554611 648558746 /nfs/dbraw/zinc/55/87/46/648558746.db2.gz NAICFWMHHUYHNT-UMNHJUIQSA-N 1 0 391.896 2.431 20 0 GEADRO Brc1ccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000422702819 648573627 /nfs/dbraw/zinc/57/36/27/648573627.db2.gz FZEXUYPMIMMYNX-RYQLBKOJSA-N 1 0 380.330 2.384 20 0 GEADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422923680 648577403 /nfs/dbraw/zinc/57/74/03/648577403.db2.gz SLSWPXYZAFCSMV-RYUDHWBXSA-N 1 0 381.782 2.016 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)CC3(C[NH3+])CC3)n2)cc1 ZINC000422944591 648578247 /nfs/dbraw/zinc/57/82/47/648578247.db2.gz ZYHMZUMUWBEFRP-UHFFFAOYSA-N 1 0 380.495 2.249 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000422958157 648578813 /nfs/dbraw/zinc/57/88/13/648578813.db2.gz WVKLOADFUYWSLK-ZFWWWQNUSA-N 1 0 384.318 2.443 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422964206 648578830 /nfs/dbraw/zinc/57/88/30/648578830.db2.gz KSEJGPWIJDLSFW-INIZCTEOSA-N 1 0 396.329 2.228 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422954993 648578884 /nfs/dbraw/zinc/57/88/84/648578884.db2.gz KHCUYMIKZCEMGR-SWLSCSKDSA-N 1 0 382.291 2.320 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000422989361 648579828 /nfs/dbraw/zinc/57/98/28/648579828.db2.gz LEVHPDVWBBJNNW-UHFFFAOYSA-N 1 0 380.290 2.440 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423096867 648580466 /nfs/dbraw/zinc/58/04/66/648580466.db2.gz IIBXHQPVYWXHET-GOSISDBHSA-N 1 0 394.313 2.152 20 0 GEADRO C[C@H](NCC(=O)Nc1ccc(I)cc1)[C@H]1CCCC[NH2+]1 ZINC000423107760 648581031 /nfs/dbraw/zinc/58/10/31/648581031.db2.gz QHHBQQQAJNQALA-SMDDNHRTSA-N 1 0 387.265 2.350 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000423110908 648581481 /nfs/dbraw/zinc/58/14/81/648581481.db2.gz WFZWOOXLVATKEV-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO [NH3+][C@@H]1C[C@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000423112691 648581585 /nfs/dbraw/zinc/58/15/85/648581585.db2.gz JZVNCRGCTKPAGZ-CVEARBPZSA-N 1 0 383.876 2.492 20 0 GEADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423122675 648583028 /nfs/dbraw/zinc/58/30/28/648583028.db2.gz KVTSGVHMYZQDGW-HOCLYGCPSA-N 1 0 380.286 2.356 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000423163927 648585623 /nfs/dbraw/zinc/58/56/23/648585623.db2.gz RUTFGXWFDPFTTE-QRTARXTBSA-N 1 0 385.346 2.265 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])s1 ZINC000423158448 648585696 /nfs/dbraw/zinc/58/56/96/648585696.db2.gz WVZYANDJHCAKHK-CZUORRHYSA-N 1 0 389.587 2.057 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423165154 648585717 /nfs/dbraw/zinc/58/57/17/648585717.db2.gz AOMMDXKZGGPPJL-CRAIPNDOSA-N 1 0 394.313 2.310 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423165156 648585987 /nfs/dbraw/zinc/58/59/87/648585987.db2.gz AOMMDXKZGGPPJL-QAPCUYQASA-N 1 0 394.313 2.310 20 0 GEADRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1nn(C)cc1I ZINC000423165356 648586069 /nfs/dbraw/zinc/58/60/69/648586069.db2.gz UKXFJPZZQNEOJL-RISCZKNCSA-N 1 0 384.265 2.073 20 0 GEADRO O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423172156 648586559 /nfs/dbraw/zinc/58/65/59/648586559.db2.gz RPNBRTAGUMQOKV-BETUJISGSA-N 1 0 382.291 2.162 20 0 GEADRO CCn1ccnc1[C@H](NCC[NH2+]C)c1ccc(I)cc1 ZINC000423225261 648587921 /nfs/dbraw/zinc/58/79/21/648587921.db2.gz LXXOVFUJHFQMAA-CQSZACIVSA-N 1 0 384.265 2.406 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423251111 648588288 /nfs/dbraw/zinc/58/82/88/648588288.db2.gz WBHNDWHRWANDLF-OAHLLOKOSA-N 1 0 396.329 2.037 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423271188 648588907 /nfs/dbraw/zinc/58/89/07/648588907.db2.gz IRPIKGNKROOPLS-LBPRGKRZSA-N 1 0 380.290 2.141 20 0 GEADRO COC[C@@]1(C(=O)Nc2nccn2Cc2ccc(Br)cc2)CC[NH2+]C1 ZINC000423288818 648589581 /nfs/dbraw/zinc/58/95/81/648589581.db2.gz VFUJPOSCLSIPQF-QGZVFWFLSA-N 1 0 393.285 2.259 20 0 GEADRO CCC([NH3+])(CC)CN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423292144 648589672 /nfs/dbraw/zinc/58/96/72/648589672.db2.gz LQSLKMBJZMDZCL-SNVBAGLBSA-N 1 0 378.336 2.265 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000423368298 648590124 /nfs/dbraw/zinc/59/01/24/648590124.db2.gz RUZJNQMZNUMUFP-CZUORRHYSA-N 1 0 381.929 2.024 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423464145 648591642 /nfs/dbraw/zinc/59/16/42/648591642.db2.gz BFDDOECXPZEOGJ-LBPRGKRZSA-N 1 0 394.313 2.092 20 0 GEADRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423478331 648592170 /nfs/dbraw/zinc/59/21/70/648592170.db2.gz LCEURSGTVVBGBI-JMCQJSRRSA-N 1 0 388.267 2.289 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423484030 648592664 /nfs/dbraw/zinc/59/26/64/648592664.db2.gz YEDXDDLUECLWFI-RYUDHWBXSA-N 1 0 388.295 2.039 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)C1 ZINC000423491748 648593005 /nfs/dbraw/zinc/59/30/05/648593005.db2.gz ZSZIRMJFHAJUML-GFCCVEGCSA-N 1 0 384.307 2.466 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000423520820 648594140 /nfs/dbraw/zinc/59/41/40/648594140.db2.gz QIMIPVRUCCTZFW-MRXNPFEDSA-N 1 0 396.329 2.166 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423550832 648594568 /nfs/dbraw/zinc/59/45/68/648594568.db2.gz BAGFIOKLCLNXJG-UHFFFAOYSA-N 1 0 380.286 2.305 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000423554343 648595144 /nfs/dbraw/zinc/59/51/44/648595144.db2.gz FFSJGKVWLHNHEU-KBPBESRZSA-N 1 0 396.329 2.427 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423560046 648595443 /nfs/dbraw/zinc/59/54/43/648595443.db2.gz KRSYLUGXFCDSBR-MGPQQGTHSA-N 1 0 394.313 2.036 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423563725 648595577 /nfs/dbraw/zinc/59/55/77/648595577.db2.gz ODQJJOQJFSGSRT-TYNCELHUSA-N 1 0 382.302 2.164 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423578437 648596480 /nfs/dbraw/zinc/59/64/80/648596480.db2.gz KZSWZQYYSATPIV-KGLIPLIRSA-N 1 0 394.313 2.062 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423588984 648596635 /nfs/dbraw/zinc/59/66/35/648596635.db2.gz DKZGNSREYIHDBO-ZFWWWQNUSA-N 1 0 396.329 2.241 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000423590204 648597004 /nfs/dbraw/zinc/59/70/04/648597004.db2.gz FYCOJTWURXAMDU-CQSZACIVSA-N 1 0 396.329 2.256 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000423643867 648598093 /nfs/dbraw/zinc/59/80/93/648598093.db2.gz JIZTWNWILGAAPQ-MRXNPFEDSA-N 1 0 394.313 2.105 20 0 GEADRO CCCN(C(=O)C(=O)N(C)CCc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000423640311 648598177 /nfs/dbraw/zinc/59/81/77/648598177.db2.gz GOSRVHURGXPFJC-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000423667585 648599010 /nfs/dbraw/zinc/59/90/10/648599010.db2.gz UNPUAMQLADYBBK-OAHLLOKOSA-N 1 0 382.302 2.008 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000423703655 648599789 /nfs/dbraw/zinc/59/97/89/648599789.db2.gz CKHAIVIWIUTLBW-CYBMUJFWSA-N 1 0 389.315 2.031 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000423721315 648600885 /nfs/dbraw/zinc/60/08/85/648600885.db2.gz DZQLWSNCVMBGHU-BLLLJJGKSA-N 1 0 396.329 2.302 20 0 GEADRO CC(C)[C@H](C(=O)NCCOc1ccc(I)cc1)[C@H](C)[NH3+] ZINC000423846562 648602411 /nfs/dbraw/zinc/60/24/11/648602411.db2.gz LNXJAHYOQXXVLX-FZMZJTMJSA-N 1 0 390.265 2.406 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])C3CCC3)C2=O)ccc1Br ZINC000423851670 648602895 /nfs/dbraw/zinc/60/28/95/648602895.db2.gz URFOUALBPBIKMS-CABCVRRESA-N 1 0 380.286 2.106 20 0 GEADRO CC(=O)N[C@H](CC(=O)N(C)[C@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423942878 648603525 /nfs/dbraw/zinc/60/35/25/648603525.db2.gz BZCWBHCNUUUPQX-HZPDHXFCSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000423951145 648604663 /nfs/dbraw/zinc/60/46/63/648604663.db2.gz JGJSINFIYOFXPR-BXUZGUMPSA-N 1 0 382.302 2.292 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423960078 648605771 /nfs/dbraw/zinc/60/57/71/648605771.db2.gz RXGFBGGHIZVIDH-PSASIEDQSA-N 1 0 376.320 2.119 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C[C@@]1(C)C[NH3+] ZINC000423982938 648606699 /nfs/dbraw/zinc/60/66/99/648606699.db2.gz KSHOHPSILQTEOR-SNUQEOBHSA-N 1 0 394.313 2.245 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(F)ccc2I)C[C@@]1(C)C[NH3+] ZINC000423986531 648607363 /nfs/dbraw/zinc/60/73/63/648607363.db2.gz TZKLNQLEMUXFJW-YMTOWFKASA-N 1 0 376.213 2.487 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(COc2cccc(Br)c2)o1 ZINC000423992539 648607485 /nfs/dbraw/zinc/60/74/85/648607485.db2.gz OSALQIKABXXUDQ-HNNXBMFYSA-N 1 0 395.253 2.339 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccc(Br)cc1 ZINC000423986540 648607516 /nfs/dbraw/zinc/60/75/16/648607516.db2.gz UBLZNGUAXIUFOE-XHBKTUGNSA-N 1 0 396.329 2.460 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)nn1 ZINC000423997395 648607895 /nfs/dbraw/zinc/60/78/95/648607895.db2.gz HWQBSZNKXOGEJO-GFCCVEGCSA-N 1 0 382.237 2.116 20 0 GEADRO CN(CC[NH3+])C(=O)c1cccc(Br)c1I ZINC000424001323 648608672 /nfs/dbraw/zinc/60/86/72/648608672.db2.gz HCVKMWFULCMILJ-UHFFFAOYSA-N 1 0 383.027 2.084 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)CCc3ccccc3Br)C2)nn1 ZINC000424000642 648608676 /nfs/dbraw/zinc/60/86/76/648608676.db2.gz MEDDRQQTMDDCJT-HNNXBMFYSA-N 1 0 392.301 2.296 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000424009924 648609603 /nfs/dbraw/zinc/60/96/03/648609603.db2.gz ICNADPWKVARXRL-ISTRZQFTSA-N 1 0 396.329 2.460 20 0 GEADRO C[NH2+]CCCN(C)C(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000424008445 648609739 /nfs/dbraw/zinc/60/97/39/648609739.db2.gz ICIOECFGJNSVEU-HNNXBMFYSA-N 1 0 384.318 2.271 20 0 GEADRO C[C@H]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000424013621 648609755 /nfs/dbraw/zinc/60/97/55/648609755.db2.gz KSLVWPZZAPEWBI-QWRGUYRKSA-N 1 0 388.331 2.026 20 0 GEADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424226954 648621226 /nfs/dbraw/zinc/62/12/26/648621226.db2.gz PTPXDKOCCWCEQB-CIISACIHSA-N 1 0 383.279 2.448 20 0 GEADRO C[C@H]1CC2(CN1C(=O)CNC(=O)c1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424244528 648621589 /nfs/dbraw/zinc/62/15/89/648621589.db2.gz SQWABOOPMICVPK-ZDUSSCGKSA-N 1 0 394.313 2.170 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000424305372 648622831 /nfs/dbraw/zinc/62/28/31/648622831.db2.gz DKDCMAHVVQDRLS-ROUUACIJSA-N 1 0 387.567 2.494 20 0 GEADRO CC[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000424333651 648623333 /nfs/dbraw/zinc/62/33/33/648623333.db2.gz WDVGUNVVUAODAX-IUODEOHRSA-N 1 0 387.933 2.157 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000424477938 648630518 /nfs/dbraw/zinc/63/05/18/648630518.db2.gz MDNMWPHKOPXAOY-RBSFLKMASA-N 1 0 395.301 2.124 20 0 GEADRO C[C@H]1CC2(CN1C(=O)C(=O)NCc1ccccc1Br)CC[NH2+]CC2 ZINC000424542577 648634190 /nfs/dbraw/zinc/63/41/90/648634190.db2.gz FTZPFYWXETZJGM-ZDUSSCGKSA-N 1 0 394.313 2.056 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000424661341 648637149 /nfs/dbraw/zinc/63/71/49/648637149.db2.gz VYBJCCWXFHDQDV-CYBMUJFWSA-N 1 0 398.345 2.379 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(I)cc3)[C@@H]2C1 ZINC000425062960 648663612 /nfs/dbraw/zinc/66/36/12/648663612.db2.gz DURALVFBNVIEEI-DZGCQCFKSA-N 1 0 384.261 2.386 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CCc2ccc(Cl)cc2)CC1 ZINC000425211936 648672053 /nfs/dbraw/zinc/67/20/53/648672053.db2.gz XWTYJJJSHMJDNZ-INIZCTEOSA-N 1 0 387.977 2.076 20 0 GEADRO COCCCS(=O)(=O)NCC[NH2+]C(C)(C)c1cc(Cl)ccc1OC ZINC000425505820 648682313 /nfs/dbraw/zinc/68/23/13/648682313.db2.gz BNRRYPLNBRRRPZ-UHFFFAOYSA-N 1 0 378.922 2.129 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1Cl ZINC000425820333 648699187 /nfs/dbraw/zinc/69/91/87/648699187.db2.gz NXZIDHFZKRNLTM-IINYFYTJSA-N 1 0 386.279 2.493 20 0 GEADRO C[C@@H](CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C[NH+](C)C ZINC000425917839 648701140 /nfs/dbraw/zinc/70/11/40/648701140.db2.gz HATFVCCYJYAJMR-FZMZJTMJSA-N 1 0 375.332 2.455 20 0 GEADRO O=C(NCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccc(Br)cc1 ZINC000425936456 648701387 /nfs/dbraw/zinc/70/13/87/648701387.db2.gz MUYZJSKGBJWPSF-INIZCTEOSA-N 1 0 394.313 2.312 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000426227744 648709182 /nfs/dbraw/zinc/70/91/82/648709182.db2.gz QULRBXYQWKUXDP-NSHDSACASA-N 1 0 394.269 2.153 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000426860349 648716593 /nfs/dbraw/zinc/71/65/93/648716593.db2.gz YUSSUIKFZBPHKM-CYBMUJFWSA-N 1 0 388.331 2.209 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1Br ZINC000427766629 648728962 /nfs/dbraw/zinc/72/89/62/648728962.db2.gz ZYQDVQJTBVCOPA-ZDUSSCGKSA-N 1 0 398.301 2.185 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000428457545 648734376 /nfs/dbraw/zinc/73/43/76/648734376.db2.gz JXASNQYXRUOTPC-ZFWWWQNUSA-N 1 0 377.286 2.263 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000428556409 648736452 /nfs/dbraw/zinc/73/64/52/648736452.db2.gz FSOZUBBEZHBJEX-KBPBESRZSA-N 1 0 386.334 2.240 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000428566169 648737739 /nfs/dbraw/zinc/73/77/39/648737739.db2.gz NNORTRQCNVVLQZ-GFCCVEGCSA-N 1 0 375.922 2.273 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccccc1Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000428591880 648740066 /nfs/dbraw/zinc/74/00/66/648740066.db2.gz AMLZZTPUJCEESP-HIFRSBDPSA-N 1 0 396.329 2.136 20 0 GEADRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000428594021 648740104 /nfs/dbraw/zinc/74/01/04/648740104.db2.gz CCTHAPQRTNHFKU-IUODEOHRSA-N 1 0 385.302 2.482 20 0 GEADRO Cc1csc(=O)n1CC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429011490 648742488 /nfs/dbraw/zinc/74/24/88/648742488.db2.gz SMKBRGIIYMZWGD-ZDUSSCGKSA-N 1 0 375.263 2.443 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000429103577 648744851 /nfs/dbraw/zinc/74/48/51/648744851.db2.gz LQTAYHDXTYAHGO-VIFPVBQESA-N 1 0 394.191 2.275 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000429132492 648745870 /nfs/dbraw/zinc/74/58/70/648745870.db2.gz WWNBFDYRGSPKTQ-SLEUVZQESA-N 1 0 382.302 2.153 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2nnc(SC)s2)[C@H](C)C1 ZINC000429154689 648746992 /nfs/dbraw/zinc/74/69/92/648746992.db2.gz HKFNSSLBJFEQNB-CHWSQXEVSA-N 1 0 387.575 2.196 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000429171241 648747841 /nfs/dbraw/zinc/74/78/41/648747841.db2.gz MVRDJIAQTYGVTJ-LBPRGKRZSA-N 1 0 376.507 2.286 20 0 GEADRO C[C@@H](NC(=O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)C ZINC000429288648 648749092 /nfs/dbraw/zinc/74/90/92/648749092.db2.gz OKCUPOXIAYAHTP-BZNIZROVSA-N 1 0 396.329 2.255 20 0 GEADRO Cn1ncc(Cl)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000429837144 648753947 /nfs/dbraw/zinc/75/39/47/648753947.db2.gz DORWTLYQBCCDNH-UHFFFAOYSA-N 1 0 392.859 2.104 20 0 GEADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(Cl)cnn1C)Cc1ccccc1 ZINC000429849797 648754753 /nfs/dbraw/zinc/75/47/53/648754753.db2.gz IGHAFEBMEIHGGW-OAHLLOKOSA-N 1 0 384.933 2.305 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(Cl)cnn1C)Cc1ccccc1 ZINC000429849794 648754812 /nfs/dbraw/zinc/75/48/12/648754812.db2.gz IGHAFEBMEIHGGW-HNNXBMFYSA-N 1 0 384.933 2.305 20 0 GEADRO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430726485 648766409 /nfs/dbraw/zinc/76/64/09/648766409.db2.gz WGVZJNMWAXAYQA-NTZNESFSSA-N 1 0 390.347 2.230 20 0 GEADRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430720782 648766458 /nfs/dbraw/zinc/76/64/58/648766458.db2.gz KCBNIOJFFZVPET-HZMBPMFUSA-N 1 0 377.304 2.174 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[NH2+]CCOC)CC1 ZINC000430908922 648769754 /nfs/dbraw/zinc/76/97/54/648769754.db2.gz YAWGRWHSNBAAKI-KRWDZBQOSA-N 1 0 398.345 2.280 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000432525440 648777858 /nfs/dbraw/zinc/77/78/58/648777858.db2.gz HRWPOVKTZBYTDV-RISCZKNCSA-N 1 0 383.290 2.075 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000435770399 648787462 /nfs/dbraw/zinc/78/74/62/648787462.db2.gz DHAGRCPLDJYKRB-ZDUSSCGKSA-N 1 0 382.917 2.491 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)N(C)CC(=O)NC1CC1 ZINC000435969114 648791395 /nfs/dbraw/zinc/79/13/95/648791395.db2.gz FSCNGYRBWPMDKE-UWVGGRQHSA-N 1 0 388.331 2.287 20 0 GEADRO COC(=O)C1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438848891 648806968 /nfs/dbraw/zinc/80/69/68/648806968.db2.gz HCXMVFGJLUNWQL-AWEZNQCLSA-N 1 0 390.249 2.213 20 0 GEADRO CC[N@@H+]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438849585 648807085 /nfs/dbraw/zinc/80/70/85/648807085.db2.gz SCSPHLRYJBSRBD-HNNXBMFYSA-N 1 0 375.282 2.356 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000440757020 648812434 /nfs/dbraw/zinc/81/24/34/648812434.db2.gz RZABGKVZUMQOPV-UMVBOHGHSA-N 1 0 388.917 2.113 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000440758157 648812496 /nfs/dbraw/zinc/81/24/96/648812496.db2.gz LKKIMBXQFWTPPR-QWRGUYRKSA-N 1 0 377.304 2.124 20 0 GEADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)CC1 ZINC000440756765 648812507 /nfs/dbraw/zinc/81/25/07/648812507.db2.gz KBQKWEHYLWLCJH-UHFFFAOYSA-N 1 0 376.906 2.128 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000440760157 648812848 /nfs/dbraw/zinc/81/28/48/648812848.db2.gz YLSRDRCHCYGTRA-AWEZNQCLSA-N 1 0 378.922 2.407 20 0 GEADRO Cc1nc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)sc1C ZINC000440805208 648814078 /nfs/dbraw/zinc/81/40/78/648814078.db2.gz DRPGANIOERSERY-IUODEOHRSA-N 1 0 387.477 2.462 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000440836302 648815494 /nfs/dbraw/zinc/81/54/94/648815494.db2.gz VYMNIFGHAOWZKL-OLZOCXBDSA-N 1 0 376.906 2.113 20 0 GEADRO C[C@H](C[NH3+])CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000440833829 648815530 /nfs/dbraw/zinc/81/55/30/648815530.db2.gz MZOXBDZMPOHICM-TZMCWYRMSA-N 1 0 376.906 2.161 20 0 GEADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(OC)ccc2Br)CC1 ZINC000440835078 648815534 /nfs/dbraw/zinc/81/55/34/648815534.db2.gz SJDWZMGSSAKVNX-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000440842261 648815972 /nfs/dbraw/zinc/81/59/72/648815972.db2.gz DSOYQEUPADQWQC-AGIUHOORSA-N 1 0 376.906 2.112 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000440843371 648816332 /nfs/dbraw/zinc/81/63/32/648816332.db2.gz MPPIAYLLCDVJBG-TZMCWYRMSA-N 1 0 376.906 2.032 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000440851470 648816812 /nfs/dbraw/zinc/81/68/12/648816812.db2.gz VKFGZYOKVLCIHA-GHMZBOCLSA-N 1 0 397.722 2.229 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)NCCc2ccc(Br)cc2)CC1(C)C ZINC000440992033 648817925 /nfs/dbraw/zinc/81/79/25/648817925.db2.gz NVEYOOCSPZFXCE-UHFFFAOYSA-N 1 0 397.361 2.317 20 0 GEADRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccc(OC)cc2Br)C[C@H]1C ZINC000441120686 648820837 /nfs/dbraw/zinc/82/08/37/648820837.db2.gz WNJMLQAPFUCNQI-NEPJUHHUSA-N 1 0 398.301 2.337 20 0 GEADRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(OC)cc2Br)C[C@H]1C ZINC000441120690 648820941 /nfs/dbraw/zinc/82/09/41/648820941.db2.gz WNJMLQAPFUCNQI-VXGBXAGGSA-N 1 0 398.301 2.337 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)c1ccc(Br)cc1I ZINC000441613478 648832739 /nfs/dbraw/zinc/83/27/39/648832739.db2.gz NNYCGIHUBHKUIU-SSDOTTSWSA-N 1 0 397.054 2.378 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000441966778 648836668 /nfs/dbraw/zinc/83/66/68/648836668.db2.gz CCAQKMVPQFMBOR-UHFFFAOYSA-N 1 0 394.313 2.329 20 0 GEADRO COc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(Br)c1 ZINC000548385850 651078218 /nfs/dbraw/zinc/07/82/18/651078218.db2.gz WOFLGXBPXQMHKO-GFCCVEGCSA-N 1 0 385.302 2.375 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000548401295 651078316 /nfs/dbraw/zinc/07/83/16/651078316.db2.gz JSLKPEMIJLOJIC-UHFFFAOYSA-N 1 0 397.313 2.268 20 0 GEADRO O=C1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H]2CCCCN12 ZINC000548859959 651087712 /nfs/dbraw/zinc/08/77/12/651087712.db2.gz TZNVNGAZBXNTDR-ZIAGYGMSSA-N 1 0 381.270 2.463 20 0 GEADRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000548940141 651089503 /nfs/dbraw/zinc/08/95/03/651089503.db2.gz SFGDOSRSMSTWMU-UHFFFAOYSA-N 1 0 376.906 2.213 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2ccsc2Br)CC1 ZINC000549184894 651093066 /nfs/dbraw/zinc/09/30/66/651093066.db2.gz VMOFHRPYARSCPR-ZDUSSCGKSA-N 1 0 390.347 2.403 20 0 GEADRO CSC1(CNS(=O)(=O)C[C@@H](C)COC2CCCC2)CC[NH+](C)CC1 ZINC000549451560 651097296 /nfs/dbraw/zinc/09/72/96/651097296.db2.gz CGYQSPUUIUWBFK-HNNXBMFYSA-N 1 0 378.604 2.329 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCCc1ccc(OC)c(OC)c1Cl ZINC000549863584 651101896 /nfs/dbraw/zinc/10/18/96/651101896.db2.gz PTRONUWBJJCKMZ-UHFFFAOYSA-N 1 0 378.922 2.161 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)CCOCC(F)(F)C(F)(F)F)C[C@@H](C)O1 ZINC000549852160 651101909 /nfs/dbraw/zinc/10/19/09/651101909.db2.gz MBBUVYAJGKJGDH-VXGBXAGGSA-N 1 0 376.366 2.206 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3CCc4cccc(Br)c4C3)CC2)N1 ZINC000550218218 651107354 /nfs/dbraw/zinc/10/73/54/651107354.db2.gz IBQMAXKFBLHVDC-YNAXMUEKSA-N 1 0 392.297 2.417 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000550362215 651109685 /nfs/dbraw/zinc/10/96/85/651109685.db2.gz PXWMENJKRLBJKW-MRXNPFEDSA-N 1 0 394.313 2.198 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000550392447 651110444 /nfs/dbraw/zinc/11/04/44/651110444.db2.gz ZECOAHDYCDJBTN-UHFFFAOYSA-N 1 0 394.313 2.152 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCSc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000550451807 651111591 /nfs/dbraw/zinc/11/15/91/651111591.db2.gz PDHYFMRCNMYJQX-GXTWGEPZSA-N 1 0 381.929 2.290 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)C1CCN(CC(F)(F)F)CC1 ZINC000550703742 651114172 /nfs/dbraw/zinc/11/41/72/651114172.db2.gz CFUIDPRZRYDLAL-ZYHUDNBSSA-N 1 0 375.357 2.402 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCCSc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000551482151 651125367 /nfs/dbraw/zinc/12/53/67/651125367.db2.gz GHMYMTOJTGNMTL-CQSZACIVSA-N 1 0 383.945 2.396 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C[C@H]3CCS(=O)(=O)C3)C2)s1 ZINC000552134529 651141596 /nfs/dbraw/zinc/14/15/96/651141596.db2.gz OPIKPDSSMHCGLW-HZPDHXFCSA-N 1 0 384.567 2.162 20 0 GEADRO Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCCC[C@H]3NS(C)(=O)=O)s2)cn1 ZINC000552188516 651142985 /nfs/dbraw/zinc/14/29/85/651142985.db2.gz DNTQBNXIOIIPFA-CZUORRHYSA-N 1 0 382.555 2.346 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000552195497 651143084 /nfs/dbraw/zinc/14/30/84/651143084.db2.gz OTMDLTCBQRYPOM-BDJLRTHQSA-N 1 0 384.307 2.251 20 0 GEADRO CC[NH+]1CCC(NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000552322769 651146668 /nfs/dbraw/zinc/14/66/68/651146668.db2.gz YHGNXUNQPUREID-UHFFFAOYSA-N 1 0 380.341 2.346 20 0 GEADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000552649360 651154235 /nfs/dbraw/zinc/15/42/35/651154235.db2.gz VLAJHSCRIFGGQT-DGCLKSJQSA-N 1 0 377.432 2.263 20 0 GEADRO O=C(CNC(=O)Cc1ccc(Br)cc1)NCC[NH+]1CCCCCC1 ZINC000552701288 651155461 /nfs/dbraw/zinc/15/54/61/651155461.db2.gz BUITWKAYUMTVFP-UHFFFAOYSA-N 1 0 396.329 2.100 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCCOc1cccc(Br)c1 ZINC000553050033 651162949 /nfs/dbraw/zinc/16/29/49/651162949.db2.gz WOERAQMQKCRJKK-OAHLLOKOSA-N 1 0 398.345 2.360 20 0 GEADRO CC(C)Cc1ncnc(NC[C@H]2CCC[N@H+](C)C2)c1I ZINC000553386902 651173716 /nfs/dbraw/zinc/17/37/16/651173716.db2.gz JHUCZKSRVUVGRG-GFCCVEGCSA-N 1 0 388.297 3.033 20 0 GEADRO C[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)Oc1cccc(Br)c1 ZINC000553514873 651178527 /nfs/dbraw/zinc/17/85/27/651178527.db2.gz DBXFYTMFZHIMPF-FFLHNBHYSA-N 1 0 396.285 2.327 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CN(C)C[C@@H]2C)c1 ZINC000553781711 651188014 /nfs/dbraw/zinc/18/80/14/651188014.db2.gz LVSVPLFOKMYDHB-LRDDRELGSA-N 1 0 384.318 2.117 20 0 GEADRO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000554089996 651197698 /nfs/dbraw/zinc/19/76/98/651197698.db2.gz ZZOHCQXTTAPIEV-GXTWGEPZSA-N 1 0 375.922 2.270 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000554372609 651203147 /nfs/dbraw/zinc/20/31/47/651203147.db2.gz PUAXGQWXWHIBOM-CHWSQXEVSA-N 1 0 388.917 2.480 20 0 GEADRO CC[C@H](NC(=O)C(=O)N(CCOC)CC[NH+](C)C)c1ccc(Cl)s1 ZINC000554414894 651203603 /nfs/dbraw/zinc/20/36/03/651203603.db2.gz KAHKMUUYWAPONC-LBPRGKRZSA-N 1 0 375.922 2.005 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCCn1cc(Br)cn1)Cc1ccccc1 ZINC000554448503 651204680 /nfs/dbraw/zinc/20/46/80/651204680.db2.gz JYJFVEPTNIIWPQ-MRXNPFEDSA-N 1 0 394.317 2.118 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)c(F)cc1Br ZINC000554579123 651207400 /nfs/dbraw/zinc/20/74/00/651207400.db2.gz NVOPAFPLTHKTMA-SNVBAGLBSA-N 1 0 386.265 2.293 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)sc1C(F)(F)F ZINC000555261774 651221307 /nfs/dbraw/zinc/22/13/07/651221307.db2.gz WDHKDPDPPUDAFA-UHFFFAOYSA-N 1 0 378.420 2.257 20 0 GEADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000555309757 651222475 /nfs/dbraw/zinc/22/24/75/651222475.db2.gz VTOZHBJBPLADFD-BXUZGUMPSA-N 1 0 380.286 2.285 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1)C[NH+]1CCCC1 ZINC000555865275 651231637 /nfs/dbraw/zinc/23/16/37/651231637.db2.gz ZLSCWIYSANGASY-JTQLQIEISA-N 1 0 378.420 2.035 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000555908036 651232493 /nfs/dbraw/zinc/23/24/93/651232493.db2.gz HVBKMGCSXSSGII-ZDUSSCGKSA-N 1 0 382.302 2.056 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000555912253 651232849 /nfs/dbraw/zinc/23/28/49/651232849.db2.gz JSBVNPTYSBQDSU-UHFFFAOYSA-N 1 0 382.302 2.008 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ncc(C)s1)c1ccsc1 ZINC000556061193 651235781 /nfs/dbraw/zinc/23/57/81/651235781.db2.gz TVIFADOSRUFFCR-AWEZNQCLSA-N 1 0 380.539 2.329 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000556083040 651236031 /nfs/dbraw/zinc/23/60/31/651236031.db2.gz HNZXLJOZEDLQAW-CQSZACIVSA-N 1 0 383.945 2.396 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)C1 ZINC000556241797 651238778 /nfs/dbraw/zinc/23/87/78/651238778.db2.gz SOWAWJZJLXDCER-BFHYXJOUSA-N 1 0 379.444 2.200 20 0 GEADRO Cc1cc(N2CCC([NH2+][C@H](C)Cn3cc(Br)ccc3=O)CC2)n[nH]1 ZINC000556245225 651238905 /nfs/dbraw/zinc/23/89/05/651238905.db2.gz HTTVXXKBKOZQFT-CYBMUJFWSA-N 1 0 394.317 2.289 20 0 GEADRO O=C(Nc1ccccc1Br)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000556530019 651246144 /nfs/dbraw/zinc/24/61/44/651246144.db2.gz DBNHEMAFSOQYAL-CYBMUJFWSA-N 1 0 395.301 2.267 20 0 GEADRO C[C@@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ncc(Br)cn1 ZINC000556756898 651251466 /nfs/dbraw/zinc/25/14/66/651251466.db2.gz SVAWKMNLFTXIKO-VXGBXAGGSA-N 1 0 382.306 2.426 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000557139360 651263877 /nfs/dbraw/zinc/26/38/77/651263877.db2.gz CLUDNWZRPNVYMR-ZDUSSCGKSA-N 1 0 396.285 2.256 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]CCOc1ccc(Cl)cn1 ZINC000557329036 651268400 /nfs/dbraw/zinc/26/84/00/651268400.db2.gz DAJFRORLORERTQ-INIZCTEOSA-N 1 0 381.885 2.428 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000557347679 651268865 /nfs/dbraw/zinc/26/88/65/651268865.db2.gz WVKUJJDIERCQHV-GJZGRUSLSA-N 1 0 376.881 2.386 20 0 GEADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000558236084 651277759 /nfs/dbraw/zinc/27/77/59/651277759.db2.gz HISCQFXFKKUXBS-CVEARBPZSA-N 1 0 397.313 2.276 20 0 GEADRO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)ccc1Br ZINC000558353353 651279026 /nfs/dbraw/zinc/27/90/26/651279026.db2.gz YRRWVFAZCYHREG-UHFFFAOYSA-N 1 0 396.329 2.480 20 0 GEADRO CC[C@H](Cn1cncn1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000558504463 651281119 /nfs/dbraw/zinc/28/11/19/651281119.db2.gz UOKHTQVJWGQFKU-OAHLLOKOSA-N 1 0 394.317 2.458 20 0 GEADRO CSC1(CNC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)CC[NH+](C)CC1 ZINC000558610252 651283164 /nfs/dbraw/zinc/28/31/64/651283164.db2.gz QOEOCFHSIAPYND-AWEZNQCLSA-N 1 0 387.615 2.268 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000560028556 651303904 /nfs/dbraw/zinc/30/39/04/651303904.db2.gz RWPRQBVDVXRBTH-OAHLLOKOSA-N 1 0 389.924 2.270 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000560273080 651305930 /nfs/dbraw/zinc/30/59/30/651305930.db2.gz BCNFITLHFLNJPJ-QWHCGFSZSA-N 1 0 385.302 2.107 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000560303686 651306781 /nfs/dbraw/zinc/30/67/81/651306781.db2.gz YMEAPDKVUWMYLZ-KBPBESRZSA-N 1 0 398.345 2.343 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000560462891 651310371 /nfs/dbraw/zinc/31/03/71/651310371.db2.gz GJILELCEGAIGFC-SNVBAGLBSA-N 1 0 395.308 2.400 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000560559419 651311553 /nfs/dbraw/zinc/31/15/53/651311553.db2.gz ZDBIBBYDMVXRTN-TZMCWYRMSA-N 1 0 391.331 2.193 20 0 GEADRO CCOC[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000560574801 651311787 /nfs/dbraw/zinc/31/17/87/651311787.db2.gz PKTZUSCPXDZHDH-LBPRGKRZSA-N 1 0 379.320 2.132 20 0 GEADRO C[C@@H]1COCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000560575544 651311818 /nfs/dbraw/zinc/31/18/18/651311818.db2.gz UPHYCYQVCOVIBZ-OCCSQVGLSA-N 1 0 391.331 2.132 20 0 GEADRO Cc1ccc(NC(=O)Cn2cc(CSCC[NH3+])nn2)c(Br)c1 ZINC000603162599 651470772 /nfs/dbraw/zinc/47/07/72/651470772.db2.gz ABRHVGHHQQOOCS-UHFFFAOYSA-N 1 0 384.303 2.180 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc(CSCC[NH3+])nn1 ZINC000603187214 651471388 /nfs/dbraw/zinc/47/13/88/651471388.db2.gz ZVIIBDWIHDWYNT-SNVBAGLBSA-N 1 0 384.303 2.432 20 0 GEADRO [NH3+]CCSCc1cn(CC(=O)Nc2nc(-c3cccs3)cs2)nn1 ZINC000603211881 651472334 /nfs/dbraw/zinc/47/23/34/651472334.db2.gz YJROLGWJHXEDQS-UHFFFAOYSA-N 1 0 380.524 2.294 20 0 GEADRO [NH3+]CCCc1cn(Cc2ccc(I)cc2Cl)nn1 ZINC000603247505 651473876 /nfs/dbraw/zinc/47/38/76/651473876.db2.gz KYEHKEHJQOASMJ-UHFFFAOYSA-N 1 0 376.629 2.476 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000642808283 651474973 /nfs/dbraw/zinc/47/49/73/651474973.db2.gz SAYMSSNDAVKUAW-HNNXBMFYSA-N 1 0 398.276 2.024 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](O)[C@H](C)O)cc1Br ZINC000717319538 651475140 /nfs/dbraw/zinc/47/51/40/651475140.db2.gz DATVNCULWDPMEJ-QPUJVOFHSA-N 1 0 397.107 2.442 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1ccc(Br)cc1 ZINC000642882406 651475126 /nfs/dbraw/zinc/47/51/26/651475126.db2.gz QEPKZEFLYRORQY-UHFFFAOYSA-N 1 0 396.329 2.183 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000561174432 651476054 /nfs/dbraw/zinc/47/60/54/651476054.db2.gz VGWFRTLSUWNIKO-ZDUSSCGKSA-N 1 0 382.302 2.154 20 0 GEADRO CC(C)(CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1Br ZINC000561189738 651476346 /nfs/dbraw/zinc/47/63/46/651476346.db2.gz GVPUPVLIHZCLKQ-ZDUSSCGKSA-N 1 0 384.318 2.404 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000561187930 651476471 /nfs/dbraw/zinc/47/64/71/651476471.db2.gz LSVIKIYLFOCWGO-NHYWBVRUSA-N 1 0 385.295 2.398 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(c3ncnc4cc(Br)ccc43)C2)nn1 ZINC000643052291 651477181 /nfs/dbraw/zinc/47/71/81/651477181.db2.gz NGLWNZCWVBBYFN-ZDUSSCGKSA-N 1 0 388.273 2.284 20 0 GEADRO CCOC(=O)c1nc(N(C)CCCN2CC[NH+](C)CC2)ccc1Br ZINC000603303472 651478646 /nfs/dbraw/zinc/47/86/46/651478646.db2.gz LPXKJGHNKLCUMX-UHFFFAOYSA-N 1 0 399.333 2.095 20 0 GEADRO Cc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nc(N)[nH+]1 ZINC000725790849 651479595 /nfs/dbraw/zinc/47/95/95/651479595.db2.gz LTJDNMOKGVKHIS-UHFFFAOYSA-N 1 0 376.258 2.092 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000643407968 651485872 /nfs/dbraw/zinc/48/58/72/651485872.db2.gz IUACVZHPIZOMOQ-CQSZACIVSA-N 1 0 396.329 2.222 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000643407951 651486020 /nfs/dbraw/zinc/48/60/20/651486020.db2.gz DZZDOBRPLGUDOD-INIZCTEOSA-N 1 0 396.329 2.315 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000603386720 651488032 /nfs/dbraw/zinc/48/80/32/651488032.db2.gz YDGXWINDUMHLSL-UHFFFAOYSA-N 1 0 386.901 2.233 20 0 GEADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643486307 651488625 /nfs/dbraw/zinc/48/86/25/651488625.db2.gz RGDNCYNMYGLHDM-FIXISWKDSA-N 1 0 388.295 2.087 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@@H]3COCCN3)nc12 ZINC000643480759 651488666 /nfs/dbraw/zinc/48/86/66/651488666.db2.gz BKMBAWGGIOKDOL-XJKSGUPXSA-N 1 0 381.318 2.304 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N(C)Cc2csc(Br)c2)CC[C@H]1[NH3+] ZINC000643494880 651489112 /nfs/dbraw/zinc/48/91/12/651489112.db2.gz WFBCZBWRFFLMOE-VXGBXAGGSA-N 1 0 388.331 2.055 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000643521264 651489511 /nfs/dbraw/zinc/48/95/11/651489511.db2.gz FSOYEZYKHMFPEB-OAHLLOKOSA-N 1 0 381.929 2.296 20 0 GEADRO C[C@H](N[C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000603433362 651491302 /nfs/dbraw/zinc/49/13/02/651491302.db2.gz MNJDWLSGWXXSPB-ZWKOPEQDSA-N 1 0 387.265 2.334 20 0 GEADRO C[C@H]1C[C@H](NC(=O)c2ncc(I)s2)C[N@@H+]1C1CC1 ZINC000603436766 651492603 /nfs/dbraw/zinc/49/26/03/651492603.db2.gz DAADTNFBJOUSKD-YUMQZZPRSA-N 1 0 377.251 2.103 20 0 GEADRO CC[N@H+](CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(C)C ZINC000726625852 651498782 /nfs/dbraw/zinc/49/87/82/651498782.db2.gz VYHVVRLWYVWOGT-UHFFFAOYSA-N 1 0 375.922 2.050 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3nc4c(cccc4Br)[nH]3)C[C@@H]21 ZINC000562675309 651499231 /nfs/dbraw/zinc/49/92/31/651499231.db2.gz GPTPQCWXSSDQIK-MFKMUULPSA-N 1 0 378.274 2.171 20 0 GEADRO CCn1cc(Br)cc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000726817835 651503567 /nfs/dbraw/zinc/50/35/67/651503567.db2.gz YUTOMJYZPZCLFY-UHFFFAOYSA-N 1 0 398.301 2.170 20 0 GEADRO CO[C@H]1CCN(C(=O)c2cc(C)ccc2I)[C@H](C[NH3+])C1 ZINC000562976858 651504544 /nfs/dbraw/zinc/50/45/44/651504544.db2.gz VXLDUMDESPPFDH-RYUDHWBXSA-N 1 0 388.249 2.178 20 0 GEADRO CN(C)c1cccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000563090210 651509423 /nfs/dbraw/zinc/50/94/23/651509423.db2.gz BPCNQVQTOIQEHW-QGZVFWFLSA-N 1 0 377.286 2.400 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000563095996 651509626 /nfs/dbraw/zinc/50/96/26/651509626.db2.gz INEBNLCEYMRDBW-UHFFFAOYSA-N 1 0 382.295 2.204 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604204859 651510490 /nfs/dbraw/zinc/51/04/90/651510490.db2.gz AXXUQLGZNLNYIX-YPMHNXCESA-N 1 0 388.295 2.269 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000563132322 651510698 /nfs/dbraw/zinc/51/06/98/651510698.db2.gz WPQGQGBBFKIICN-CQSZACIVSA-N 1 0 389.905 2.103 20 0 GEADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)cc1 ZINC000563132114 651510736 /nfs/dbraw/zinc/51/07/36/651510736.db2.gz FKJUZSZJBSMMBW-YOEHRIQHSA-N 1 0 388.555 2.056 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000563130247 651510788 /nfs/dbraw/zinc/51/07/88/651510788.db2.gz XDVPBLIEQYMOGQ-LLVKDONJSA-N 1 0 377.304 2.268 20 0 GEADRO O=C(NC[C@H]1CCCN(Cc2cccc(O)c2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000563137684 651511852 /nfs/dbraw/zinc/51/18/52/651511852.db2.gz DWYPSFOAFGNWKR-HIFRSBDPSA-N 1 0 396.329 2.235 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000643971034 651512740 /nfs/dbraw/zinc/51/27/40/651512740.db2.gz STHVTYNVBRTEAM-OLZOCXBDSA-N 1 0 385.555 2.098 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000727161286 651513841 /nfs/dbraw/zinc/51/38/41/651513841.db2.gz FOKDOMOKUKDLCE-GXTWGEPZSA-N 1 0 376.954 2.024 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2=O)ccc1Br ZINC000563170116 651513881 /nfs/dbraw/zinc/51/38/81/651513881.db2.gz OZFYGGJYEQFZFV-RWMBFGLXSA-N 1 0 382.302 2.352 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c(Br)c1 ZINC000727228031 651515775 /nfs/dbraw/zinc/51/57/75/651515775.db2.gz QQGZULBOKQPBGF-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000644085865 651520406 /nfs/dbraw/zinc/52/04/06/651520406.db2.gz YAFZWWOWVUDQCJ-WFASDCNBSA-N 1 0 382.302 2.024 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1C[NH2+]CCC1(F)F ZINC000644150812 651522894 /nfs/dbraw/zinc/52/28/94/651522894.db2.gz CRLXYULTQIZXPN-GZMMTYOYSA-N 1 0 379.176 2.383 20 0 GEADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ncc(Br)cc1Br ZINC000644142950 651522917 /nfs/dbraw/zinc/52/29/17/651522917.db2.gz RHFOJTFHSVCMKY-YUMQZZPRSA-N 1 0 381.043 2.036 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ncc(Br)cc1Br ZINC000644145884 651523030 /nfs/dbraw/zinc/52/30/30/651523030.db2.gz UJPLGRVRNRLUGU-SNVBAGLBSA-N 1 0 389.091 2.479 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000644168735 651524309 /nfs/dbraw/zinc/52/43/09/651524309.db2.gz IEFJOOYBEMDHKO-DOMZBBRYSA-N 1 0 388.281 2.405 20 0 GEADRO Ic1cccnc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563422615 651524331 /nfs/dbraw/zinc/52/43/31/651524331.db2.gz IOLOIXLJBXCBJK-CYBMUJFWSA-N 1 0 387.265 2.377 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cc(Br)cnc1-n1cccn1 ZINC000563490750 651526895 /nfs/dbraw/zinc/52/68/95/651526895.db2.gz UKQXNRFIKPTZPP-NSHDSACASA-N 1 0 379.262 2.151 20 0 GEADRO CN(CCC[NH3+])C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000563491831 651526915 /nfs/dbraw/zinc/52/69/15/651526915.db2.gz KEGYWVDXWUCDDO-UHFFFAOYSA-N 1 0 383.290 2.498 20 0 GEADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)[C@@H]1COC[C@@H]1OC ZINC000644235610 651527148 /nfs/dbraw/zinc/52/71/48/651527148.db2.gz XRNIFZXGWKCPGQ-JKSUJKDBSA-N 1 0 376.563 2.141 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644297549 651532059 /nfs/dbraw/zinc/53/20/59/651532059.db2.gz AWCXPEVQYGGTJJ-GUTXKFCHSA-N 1 0 388.917 2.078 20 0 GEADRO C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000563581150 651533603 /nfs/dbraw/zinc/53/36/03/651533603.db2.gz HRVODDAOJAQGTD-HZSPNIEDSA-N 1 0 382.302 2.467 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000563668073 651535973 /nfs/dbraw/zinc/53/59/73/651535973.db2.gz ZWYPYSDVUFZSJD-ZDUSSCGKSA-N 1 0 392.352 2.299 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2scnc2Cl)CC1 ZINC000728083878 651537254 /nfs/dbraw/zinc/53/72/54/651537254.db2.gz VHULVPHOGGMGOR-UHFFFAOYSA-N 1 0 386.949 2.497 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(-n2cc(Br)cn2)cc1 ZINC000563714333 651539903 /nfs/dbraw/zinc/53/99/03/651539903.db2.gz NWKVGCFBLJIOBV-ZDUSSCGKSA-N 1 0 385.212 2.362 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000605887101 651545825 /nfs/dbraw/zinc/54/58/25/651545825.db2.gz ZTTSTUMDODEDPD-CYBMUJFWSA-N 1 0 388.281 2.151 20 0 GEADRO O=S1(=O)C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)c2ccccc21 ZINC000563881079 651546338 /nfs/dbraw/zinc/54/63/38/651546338.db2.gz DOKJPRQTQFGSQT-KGLIPLIRSA-N 1 0 381.881 2.240 20 0 GEADRO O=C(NCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000644521727 651551962 /nfs/dbraw/zinc/55/19/62/651551962.db2.gz DWQABIXCIUCGJV-ZDUSSCGKSA-N 1 0 384.263 2.148 20 0 GEADRO O=S(=O)(CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000644524062 651552012 /nfs/dbraw/zinc/55/20/12/651552012.db2.gz OPYVYYOXNHQMFQ-CABCVRRESA-N 1 0 387.343 2.439 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)CCC2 ZINC000644553773 651553658 /nfs/dbraw/zinc/55/36/58/651553658.db2.gz NDVYPWFILUGWLT-DFBGVHRSSA-N 1 0 378.416 2.147 20 0 GEADRO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)CN1CCOCC1 ZINC000644572225 651555345 /nfs/dbraw/zinc/55/53/45/651555345.db2.gz VJJKAECBRHWKRH-ZIAGYGMSSA-N 1 0 377.312 2.291 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000644573305 651555561 /nfs/dbraw/zinc/55/55/61/651555561.db2.gz OVDUXYRXUDGJOH-ARFHVFGLSA-N 1 0 375.918 2.163 20 0 GEADRO C[N@H+](CCn1cc(Br)cn1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000564123998 651555920 /nfs/dbraw/zinc/55/59/20/651555920.db2.gz MPEHTCTWNMSFKB-NSHDSACASA-N 1 0 383.212 2.131 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccn2)C1)COc1ccc(Br)cc1 ZINC000644608482 651557791 /nfs/dbraw/zinc/55/77/91/651557791.db2.gz QDXCFRDJMKGUAJ-CVEARBPZSA-N 1 0 392.297 2.452 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccccn2)C1)COc1ccc(Br)cc1 ZINC000644608483 651558091 /nfs/dbraw/zinc/55/80/91/651558091.db2.gz QDXCFRDJMKGUAJ-HOTGVXAUSA-N 1 0 392.297 2.452 20 0 GEADRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH+]1CCCS(N)(=O)=O ZINC000564157737 651558504 /nfs/dbraw/zinc/55/85/04/651558504.db2.gz PMWHDKHQVLWJPE-CHWSQXEVSA-N 1 0 379.448 2.283 20 0 GEADRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000644648274 651560877 /nfs/dbraw/zinc/56/08/77/651560877.db2.gz ZFAWPQWEXVDCQD-KRWDZBQOSA-N 1 0 381.318 2.118 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1(S(C)(=O)=O)CC1 ZINC000644645660 651561069 /nfs/dbraw/zinc/56/10/69/651561069.db2.gz YNZOLRWMKXDOHK-MNOVXSKESA-N 1 0 382.309 2.288 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000607028574 651564017 /nfs/dbraw/zinc/56/40/17/651564017.db2.gz BCPSAUJQGZYQLV-UHFFFAOYSA-N 1 0 386.279 2.390 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000564443608 651566827 /nfs/dbraw/zinc/56/68/27/651566827.db2.gz RQLMPLFAWZPBMN-KGLIPLIRSA-N 1 0 394.313 2.450 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000564446970 651567652 /nfs/dbraw/zinc/56/76/52/651567652.db2.gz WPEALHJMBDRMPW-AAEUAGOBSA-N 1 0 382.309 2.148 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644820434 651570512 /nfs/dbraw/zinc/57/05/12/651570512.db2.gz XIHRHXUYMKMNDP-SWLSCSKDSA-N 1 0 381.270 2.193 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)CSc3nncn3-c3cccc(Cl)c3)[C@@H]2C1 ZINC000644822143 651570724 /nfs/dbraw/zinc/57/07/24/651570724.db2.gz JMHKHGSQAHHISR-SWLSCSKDSA-N 1 0 377.901 2.175 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644820432 651570775 /nfs/dbraw/zinc/57/07/75/651570775.db2.gz XIHRHXUYMKMNDP-DOMZBBRYSA-N 1 0 381.270 2.193 20 0 GEADRO O=C(NCCc1ccccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729499257 651570957 /nfs/dbraw/zinc/57/09/57/651570957.db2.gz CGIXURXIDZMTJE-LSDHHAIUSA-N 1 0 382.302 2.154 20 0 GEADRO C[NH+](C)Cc1cccc(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000607385174 651573216 /nfs/dbraw/zinc/57/32/16/651573216.db2.gz NKAYQEYKPCHPRQ-INIZCTEOSA-N 1 0 390.281 2.467 20 0 GEADRO COC(=O)C[C@@](C)([NH2+]CC[C@H]1CCNC1=O)c1ccc(Br)cc1 ZINC000564734473 651578157 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O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000570042806 651741600 /nfs/dbraw/zinc/74/16/00/651741600.db2.gz OCEJWXNGRCEZOF-DOTOQJQBSA-N 1 0 394.313 2.275 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647303090 651742743 /nfs/dbraw/zinc/74/27/43/651742743.db2.gz IVJSTDHIUYBEHP-CQSZACIVSA-N 1 0 389.315 2.187 20 0 GEADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647304718 651742759 /nfs/dbraw/zinc/74/27/59/651742759.db2.gz BFIMCDSUZLMEOR-QWRGUYRKSA-N 1 0 385.686 2.222 20 0 GEADRO CN(C1C[NH2+]C1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000647299650 651742895 /nfs/dbraw/zinc/74/28/95/651742895.db2.gz ZYTUZMIBXAVLIK-UHFFFAOYSA-N 1 0 388.312 2.165 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000647309269 651743232 /nfs/dbraw/zinc/74/32/32/651743232.db2.gz HDGBUUNBWYRBQH-TXEJJXNPSA-N 1 0 389.315 2.078 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc21 ZINC000647324156 651743803 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[NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000573823605 651981195 /nfs/dbraw/zinc/98/11/95/651981195.db2.gz HDURVEVODYALID-UMVBOHGHSA-N 1 0 388.917 2.161 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000573823599 651981440 /nfs/dbraw/zinc/98/14/40/651981440.db2.gz HDURVEVODYALID-IPYPFGDCSA-N 1 0 388.917 2.161 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000573846269 651983005 /nfs/dbraw/zinc/98/30/05/651983005.db2.gz BJWWKZNQRQTUAX-UHFFFAOYSA-N 1 0 396.340 2.166 20 0 GEADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000573854578 651983626 /nfs/dbraw/zinc/98/36/26/651983626.db2.gz RILZXSSWMNANRP-GXTWGEPZSA-N 1 0 389.315 2.286 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N2CCOc3cccc(Br)c3C2)CC1 ZINC000655319295 651984176 /nfs/dbraw/zinc/98/41/76/651984176.db2.gz GLNPHFPUYBDRBS-UHFFFAOYSA-N 1 0 396.329 2.198 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000742343438 651984891 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C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000574045861 651997896 /nfs/dbraw/zinc/99/78/96/651997896.db2.gz XNXXJOOFDJLJKV-RISCZKNCSA-N 1 0 384.307 2.394 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccncc1I ZINC000574124039 652002295 /nfs/dbraw/zinc/00/22/95/652002295.db2.gz MUCVSRHMVLBTSC-LLVKDONJSA-N 1 0 390.269 2.350 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1Cl ZINC000618305343 652003640 /nfs/dbraw/zinc/00/36/40/652003640.db2.gz PWYXLUNOPMPPDD-UHFFFAOYSA-N 1 0 390.709 2.195 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1c[nH]c2cccc(Br)c12 ZINC000618307088 652003730 /nfs/dbraw/zinc/00/37/30/652003730.db2.gz VXTOZVQFFOWBFZ-UHFFFAOYSA-N 1 0 395.301 2.022 20 0 GEADRO Cc1sc2c(cccc2C)c1S(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574205150 652007704 /nfs/dbraw/zinc/00/77/04/652007704.db2.gz UAQQSGYHNSMVMP-OAHLLOKOSA-N 1 0 379.551 2.186 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000574208983 652007758 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CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)s1 ZINC000618458275 652017799 /nfs/dbraw/zinc/01/77/99/652017799.db2.gz AYGHTTMELNJHCD-LBPRGKRZSA-N 1 0 385.555 2.098 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000574357326 652018034 /nfs/dbraw/zinc/01/80/34/652018034.db2.gz BNKSMKFGQRXOHX-XELLLNAOSA-N 1 0 387.933 2.004 20 0 GEADRO CC[NH+](CC)CCCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000743503074 652022023 /nfs/dbraw/zinc/02/20/23/652022023.db2.gz AAPGUTORUUTFDW-CQSZACIVSA-N 1 0 376.954 2.026 20 0 GEADRO Brc1cccc(Cc2noc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000574452600 652022075 /nfs/dbraw/zinc/02/20/75/652022075.db2.gz CJGLDESETUSUMG-KGLIPLIRSA-N 1 0 377.286 2.464 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000618539723 652022395 /nfs/dbraw/zinc/02/23/95/652022395.db2.gz OFAMXZJYTJXZEN-UONOGXRCSA-N 1 0 387.571 2.488 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000656121156 652022863 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GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)c(F)c1 ZINC000574679447 652035884 /nfs/dbraw/zinc/03/58/84/652035884.db2.gz ONOIHVTVGZTQEH-HNNXBMFYSA-N 1 0 394.896 2.345 20 0 GEADRO CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000574742403 652040151 /nfs/dbraw/zinc/04/01/51/652040151.db2.gz SCMCKUNMVXBPET-DFBGVHRSSA-N 1 0 385.917 2.327 20 0 GEADRO CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000574742408 652040304 /nfs/dbraw/zinc/04/03/04/652040304.db2.gz SCMCKUNMVXBPET-NILFDRSVSA-N 1 0 385.917 2.327 20 0 GEADRO CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000574742405 652040313 /nfs/dbraw/zinc/04/03/13/652040313.db2.gz SCMCKUNMVXBPET-GLQYFDAESA-N 1 0 385.917 2.327 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000618993932 652041154 /nfs/dbraw/zinc/04/11/54/652041154.db2.gz MZMDSHGWERHJAC-LBPRGKRZSA-N 1 0 386.290 2.009 20 0 GEADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cn(C[C@@H]2CCC[NH2+]2)nn1 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Cc1csc([C@](O)(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C(F)(F)F)n1 ZINC000746828943 652125501 /nfs/dbraw/zinc/12/55/01/652125501.db2.gz INPWJNMCVSGGRL-TYNCELHUSA-N 1 0 377.432 2.335 20 0 GEADRO Cc1c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)nnn1-c1cccc(Br)c1 ZINC000621152189 652132809 /nfs/dbraw/zinc/13/28/09/652132809.db2.gz RHMMBQRSICJTDJ-OAHLLOKOSA-N 1 0 392.301 2.408 20 0 GEADRO CC(C)[C@H]1CN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC[NH2+]1 ZINC000621151700 652133498 /nfs/dbraw/zinc/13/34/98/652133498.db2.gz GRTDHBKQDIDGGZ-WDEREUQCSA-N 1 0 388.331 2.085 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)s1 ZINC000657180365 652143748 /nfs/dbraw/zinc/14/37/48/652143748.db2.gz BYXHOISOUKBRRN-KGLIPLIRSA-N 1 0 387.571 2.344 20 0 GEADRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000576816194 652144432 /nfs/dbraw/zinc/14/44/32/652144432.db2.gz QQCPPGOQBLBYLH-KSSFIOAISA-N 1 0 382.913 2.373 20 0 GEADRO CCOc1cncc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000621351410 652150458 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GEADRO COCCOC1(C[NH2+]Cc2c(F)cncc2Br)CCOCC1 ZINC000657480174 652166862 /nfs/dbraw/zinc/16/68/62/652166862.db2.gz KNICBOJSJAVXIN-UHFFFAOYSA-N 1 0 377.254 2.285 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000657509761 652167871 /nfs/dbraw/zinc/16/78/71/652167871.db2.gz CEJYMCHNWKUVCY-UHFFFAOYSA-N 1 0 394.313 2.284 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cscc1C(F)(F)F ZINC000621825391 652167884 /nfs/dbraw/zinc/16/78/84/652167884.db2.gz KFYJMXUBBSMDNN-ZDUSSCGKSA-N 1 0 377.432 2.439 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Br)c1 ZINC000577178922 652168523 /nfs/dbraw/zinc/16/85/23/652168523.db2.gz VMNUOKFOWOCLDB-SNVBAGLBSA-N 1 0 389.649 2.378 20 0 GEADRO O=C(NC[C@@H]1CC1(Cl)Cl)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000747576123 652168923 /nfs/dbraw/zinc/16/89/23/652168923.db2.gz ZIAUYFITXVQNCQ-PMPSAXMXSA-N 1 0 386.323 2.362 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2c(cc1Br)OCO2 ZINC000621933803 652170788 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GEADRO C[NH+](C)CCOc1ccccc1CNC(=O)CCn1cc(Br)cn1 ZINC000622022420 652177179 /nfs/dbraw/zinc/17/71/79/652177179.db2.gz MWWCDMZYQQWFCT-UHFFFAOYSA-N 1 0 395.301 2.293 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657592329 652177277 /nfs/dbraw/zinc/17/72/77/652177277.db2.gz STPNZFSHLJVJJP-LLVKDONJSA-N 1 0 386.265 2.373 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000657597671 652178057 /nfs/dbraw/zinc/17/80/57/652178057.db2.gz BHLRJKDLDSHECI-MLGOLLRUSA-N 1 0 376.266 2.277 20 0 GEADRO OCCO[C@]1(C[NH2+]Cc2ccnc3c(Br)cccc23)CCOC1 ZINC000657598672 652178382 /nfs/dbraw/zinc/17/83/82/652178382.db2.gz PWLIHHCMFBHFSF-KRWDZBQOSA-N 1 0 381.270 2.255 20 0 GEADRO Cc1sc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1CS(C)(=O)=O ZINC000577363860 652181932 /nfs/dbraw/zinc/18/19/32/652181932.db2.gz QUYMNQDBCNHVCL-JKSUJKDBSA-N 1 0 378.519 2.087 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000747883916 652183484 /nfs/dbraw/zinc/18/34/84/652183484.db2.gz ODAWKGNOGAOXQR-AWEZNQCLSA-N 1 0 387.933 2.195 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F)C1CC1 ZINC000657650256 652185996 /nfs/dbraw/zinc/18/59/96/652185996.db2.gz HEJHXSKGIDQMAA-NSHDSACASA-N 1 0 390.228 2.122 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000657659782 652187320 /nfs/dbraw/zinc/18/73/20/652187320.db2.gz MVJQRAHHFOAZEA-MRXNPFEDSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)O1 ZINC000657669218 652189112 /nfs/dbraw/zinc/18/91/12/652189112.db2.gz LPDJBCHOMSUJRA-ZYHUDNBSSA-N 1 0 377.304 2.144 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000657712041 652193837 /nfs/dbraw/zinc/19/38/37/652193837.db2.gz MZPKDSSHJYDEBI-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCc2ccccc2Br)CC1 ZINC000622454054 652194930 /nfs/dbraw/zinc/19/49/30/652194930.db2.gz KZTLEBUAHMETMK-UHFFFAOYSA-N 1 0 397.361 2.317 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000622597204 652196364 /nfs/dbraw/zinc/19/63/64/652196364.db2.gz PPCFQSGUMPMREG-ZFWWWQNUSA-N 1 0 385.555 2.194 20 0 GEADRO S=C1N=NC(Cc2cccs2)N1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000748269099 652197365 /nfs/dbraw/zinc/19/73/65/652197365.db2.gz WYSOHSQUHAIQAH-AWEZNQCLSA-N 1 0 380.539 2.447 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3F)CC[C@H]21 ZINC000657737154 652199723 /nfs/dbraw/zinc/19/97/23/652199723.db2.gz IMPIINGGXVBQLA-BXUZGUMPSA-N 1 0 398.276 2.469 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)CCSC1 ZINC000748435356 652202528 /nfs/dbraw/zinc/20/25/28/652202528.db2.gz REBORKNPACQRSW-KRWDZBQOSA-N 1 0 380.514 2.467 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000577626867 652202923 /nfs/dbraw/zinc/20/29/23/652202923.db2.gz WIAJBTRDUVZPOG-UHFFFAOYSA-N 1 0 395.294 2.312 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000657778818 652204848 /nfs/dbraw/zinc/20/48/48/652204848.db2.gz VTAIRBQGGIGCML-RISCZKNCSA-N 1 0 398.276 2.388 20 0 GEADRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000657786161 652205944 /nfs/dbraw/zinc/20/59/44/652205944.db2.gz LUZVLMPPWFQOBD-LLVKDONJSA-N 1 0 377.304 2.001 20 0 GEADRO C[N@@H+]1CCCN(C(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000657806598 652207490 /nfs/dbraw/zinc/20/74/90/652207490.db2.gz NTRNHPMCHNPANX-UHFFFAOYSA-N 1 0 394.313 2.237 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657867483 652211697 /nfs/dbraw/zinc/21/16/97/652211697.db2.gz SVNKAIQPBFHEAH-UHFFFAOYSA-N 1 0 390.228 2.218 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748707051 652212741 /nfs/dbraw/zinc/21/27/41/652212741.db2.gz QWMZGTRSUBFFMA-CYBMUJFWSA-N 1 0 387.933 2.195 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623016559 652214288 /nfs/dbraw/zinc/21/42/88/652214288.db2.gz ALXZTWKCUMTHSL-LBPRGKRZSA-N 1 0 393.289 2.029 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cncc(Br)c1 ZINC000657950993 652220220 /nfs/dbraw/zinc/22/02/20/652220220.db2.gz PWAKRSVNGGTNNP-PKWAYOAASA-N 1 0 381.274 2.215 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C(F)(F)F)n1 ZINC000748843435 652220332 /nfs/dbraw/zinc/22/03/32/652220332.db2.gz DCCNIYQRRNUGIP-DOMZBBRYSA-N 1 0 379.448 2.438 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cncc(Br)c1 ZINC000657951395 652220822 /nfs/dbraw/zinc/22/08/22/652220822.db2.gz VICPMUCHVJMRET-ZIBATOQPSA-N 1 0 378.274 2.422 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000657955847 652220864 /nfs/dbraw/zinc/22/08/64/652220864.db2.gz QIZYWVXGLKYKRU-JTQLQIEISA-N 1 0 379.258 2.002 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000623055349 652221839 /nfs/dbraw/zinc/22/18/39/652221839.db2.gz PQZJRSLPAPDNSJ-STQMWFEESA-N 1 0 378.274 2.239 20 0 GEADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000577847438 652221937 /nfs/dbraw/zinc/22/19/37/652221937.db2.gz OSEIKRXIBFSABA-DOMZBBRYSA-N 1 0 384.293 2.230 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3nc4cc(Cl)ccc4s3)C2)nn1 ZINC000623070925 652222635 /nfs/dbraw/zinc/22/26/35/652222635.db2.gz VRNSMAHPIRPVQW-LBPRGKRZSA-N 1 0 376.873 2.477 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)Cn3cncn3)C2=O)ccc1Br ZINC000657980982 652224597 /nfs/dbraw/zinc/22/45/97/652224597.db2.gz UJNPRQZUPKJBGK-SWLSCSKDSA-N 1 0 378.274 2.133 20 0 GEADRO CC[C@H](C)N1CCN(C(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657994888 652227684 /nfs/dbraw/zinc/22/76/84/652227684.db2.gz HUZALXWUIHNCAT-NSHDSACASA-N 1 0 386.265 2.469 20 0 GEADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577951094 652231222 /nfs/dbraw/zinc/23/12/22/652231222.db2.gz XFRRKDBHIQFOEP-BZPMIXESSA-N 1 0 382.291 2.414 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000658047904 652233770 /nfs/dbraw/zinc/23/37/70/652233770.db2.gz UPKPYUOEYAEDQB-LSDHHAIUSA-N 1 0 375.332 2.394 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)c(Br)c1 ZINC000577991619 652234333 /nfs/dbraw/zinc/23/43/33/652234333.db2.gz JENWWUZXVGLSOY-LLVKDONJSA-N 1 0 386.290 2.241 20 0 GEADRO CO[C@H](C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000658071633 652234970 /nfs/dbraw/zinc/23/49/70/652234970.db2.gz IZRNPUIBAQBCAX-IMSIIYSGSA-N 1 0 397.324 2.343 20 0 GEADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCNC(=O)c3ccc(Br)cn3)C[C@H]2C1 ZINC000658097651 652237067 /nfs/dbraw/zinc/23/70/67/652237067.db2.gz YIGHGQXFWCPZJI-AIXYUVMFSA-N 1 0 382.302 2.367 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1Cc2ccccc2N(C)C1=O ZINC000658106468 652237190 /nfs/dbraw/zinc/23/71/90/652237190.db2.gz LRBFDDBOWLOSLO-IUODEOHRSA-N 1 0 390.281 2.177 20 0 GEADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000658117064 652237253 /nfs/dbraw/zinc/23/72/53/652237253.db2.gz YFZUBOFTOLGIJZ-CLWVCHIJSA-N 1 0 387.318 2.155 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC[NH2+]1 ZINC000578048687 652239493 /nfs/dbraw/zinc/23/94/93/652239493.db2.gz ATJJFNMXPZKHNU-QMMMGPOBSA-N 1 0 394.191 2.227 20 0 GEADRO OCCO[C@@]1(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CCOC1 ZINC000658149578 652239992 /nfs/dbraw/zinc/23/99/92/652239992.db2.gz UCDDFHIAANVNKX-NVXWUHKLSA-N 1 0 386.286 2.420 20 0 GEADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658148698 652240031 /nfs/dbraw/zinc/24/00/31/652240031.db2.gz OLCVBAZJDTXPNO-WBMJQRKESA-N 1 0 376.266 2.277 20 0 GEADRO Cc1cc(NC(=O)CC[NH2+][C@H]2CCN(c3ccccc3Br)C2)no1 ZINC000578064785 652240662 /nfs/dbraw/zinc/24/06/62/652240662.db2.gz URNBBPRPEUBELI-ZDUSSCGKSA-N 1 0 393.285 2.943 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2ccsc2C(F)(F)F)cn1 ZINC000623482476 652241002 /nfs/dbraw/zinc/24/10/02/652241002.db2.gz UUOKPJZBXJHVEP-UHFFFAOYSA-N 1 0 375.420 2.253 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)Cn2cc(Br)ccc2=O)cc1F ZINC000749252107 652242675 /nfs/dbraw/zinc/24/26/75/652242675.db2.gz VSLONJDEHQADOT-UHFFFAOYSA-N 1 0 382.233 2.450 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000749267265 652243558 /nfs/dbraw/zinc/24/35/58/652243558.db2.gz SQEGQERLTLQLSH-LLVKDONJSA-N 1 0 391.331 2.313 20 0 GEADRO Cc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)ncc1Br ZINC000623522133 652244736 /nfs/dbraw/zinc/24/47/36/652244736.db2.gz YDWYVLSXJSATFJ-DOMZBBRYSA-N 1 0 390.347 2.350 20 0 GEADRO Cc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)ncc1Br ZINC000623523659 652244969 /nfs/dbraw/zinc/24/49/69/652244969.db2.gz IGFNWDZHSLXZQU-CYBMUJFWSA-N 1 0 376.320 2.056 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578131990 652246499 /nfs/dbraw/zinc/24/64/99/652246499.db2.gz HIDSZAOJQUIWSJ-CHWSQXEVSA-N 1 0 386.901 2.121 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc2ncc(I)n2c1 ZINC000749375757 652249267 /nfs/dbraw/zinc/24/92/67/652249267.db2.gz MHCOXSOCICQJSM-UHFFFAOYSA-N 1 0 398.248 2.107 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749388572 652250127 /nfs/dbraw/zinc/25/01/27/652250127.db2.gz QYRWTUKYQOQNDL-CYBMUJFWSA-N 1 0 393.289 2.029 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000658312359 652251092 /nfs/dbraw/zinc/25/10/92/652251092.db2.gz IURZYGFDUYNLAC-GUYCJALGSA-N 1 0 387.318 2.157 20 0 GEADRO Fc1ccc(Br)c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000623652820 652251857 /nfs/dbraw/zinc/25/18/57/652251857.db2.gz QGSVHGHYSCDDTI-CYBMUJFWSA-N 1 0 391.248 2.394 20 0 GEADRO Brc1csc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000623653256 652252053 /nfs/dbraw/zinc/25/20/53/652252053.db2.gz CCGODOTZZVMUOZ-NSHDSACASA-N 1 0 379.287 2.317 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)NCc1cc(F)c(Br)cc1F ZINC000623663854 652252818 /nfs/dbraw/zinc/25/28/18/652252818.db2.gz FOOFWMDNQBTMDN-UHFFFAOYSA-N 1 0 394.260 2.495 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000658341877 652254525 /nfs/dbraw/zinc/25/45/25/652254525.db2.gz BRTQQUKFIOVIQK-CYBMUJFWSA-N 1 0 384.318 2.415 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000749448459 652255093 /nfs/dbraw/zinc/25/50/93/652255093.db2.gz UPBYMZHZCGTNQF-OLZOCXBDSA-N 1 0 393.289 2.027 20 0 GEADRO CCN(C(=O)C(=O)Nc1cccc(Br)c1COC)[C@H]1CC[N@H+](C)C1 ZINC000658358126 652255500 /nfs/dbraw/zinc/25/55/00/652255500.db2.gz UDKILUQPOQXHDA-LBPRGKRZSA-N 1 0 398.301 2.087 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(F)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000658360743 652255544 /nfs/dbraw/zinc/25/55/44/652255544.db2.gz QQLBUFASVNGFOY-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658362829 652256266 /nfs/dbraw/zinc/25/62/66/652256266.db2.gz SWRJXJSHKJQWSA-LLVKDONJSA-N 1 0 375.803 2.433 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000658362461 652256630 /nfs/dbraw/zinc/25/66/30/652256630.db2.gz AHKOVVAMBZNCPE-LBPRGKRZSA-N 1 0 377.304 2.268 20 0 GEADRO C[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000658364558 652257041 /nfs/dbraw/zinc/25/70/41/652257041.db2.gz BDSMXFAJVVBIHX-GHMZBOCLSA-N 1 0 379.295 2.396 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000658374888 652259441 /nfs/dbraw/zinc/25/94/41/652259441.db2.gz YVMQJMDYDOMSAN-ZANVPECISA-N 1 0 379.707 2.475 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)Cc3cc(F)ccc3Br)C[C@H]21 ZINC000658376598 652260019 /nfs/dbraw/zinc/26/00/19/652260019.db2.gz UYBVUNTVPGANJB-WDBKCZKBSA-N 1 0 391.306 2.477 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1CC12CC[NH2+]CC2 ZINC000658380001 652260557 /nfs/dbraw/zinc/26/05/57/652260557.db2.gz CWWCCTPEFRSIGT-CYBMUJFWSA-N 1 0 377.279 2.150 20 0 GEADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000658380661 652261045 /nfs/dbraw/zinc/26/10/45/652261045.db2.gz XHEQZKJUYKKGFB-OKILXGFUSA-N 1 0 378.416 2.346 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000658381174 652261124 /nfs/dbraw/zinc/26/11/24/652261124.db2.gz XVSGMNGVIBTGBP-CVEARBPZSA-N 1 0 376.881 2.137 20 0 GEADRO O=S(=O)(c1ccc(Br)cn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658384828 652262737 /nfs/dbraw/zinc/26/27/37/652262737.db2.gz MAJUBFDBWHERFL-ZDUSSCGKSA-N 1 0 388.331 2.244 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)CCc3ccccc3Cl)C2)C1 ZINC000658383649 652262845 /nfs/dbraw/zinc/26/28/45/652262845.db2.gz KIIFPSQXYOLGJF-NUJGCVRESA-N 1 0 386.945 2.431 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000658383857 652262918 /nfs/dbraw/zinc/26/29/18/652262918.db2.gz OTUHFYQDDDKDJL-UHFFFAOYSA-N 1 0 395.294 2.265 20 0 GEADRO O=S(=O)(c1ncccc1Br)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658386975 652263760 /nfs/dbraw/zinc/26/37/60/652263760.db2.gz FKNUIJBWJDTFGY-ZDUSSCGKSA-N 1 0 388.331 2.244 20 0 GEADRO O[C@H]1CCN(CC[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000623837634 652263951 /nfs/dbraw/zinc/26/39/51/652263951.db2.gz NIFGVUJZXXTFBI-NSHDSACASA-N 1 0 378.108 2.368 20 0 GEADRO CO[C@@H](CS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000658391571 652264538 /nfs/dbraw/zinc/26/45/38/652264538.db2.gz PDEXKXDAEFWYKV-XYPHTWIQSA-N 1 0 376.469 2.001 20 0 GEADRO 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C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000579957250 652361657 /nfs/dbraw/zinc/36/16/57/652361657.db2.gz HIIDRFNMXDLUCL-RYUDHWBXSA-N 1 0 397.317 2.230 20 0 GEADRO CC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000580047738 652364933 /nfs/dbraw/zinc/36/49/33/652364933.db2.gz RDQJRCHDTYBDMA-OCCSQVGLSA-N 1 0 385.295 2.492 20 0 GEADRO CN1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)[C@@H](C[NH3+])C1 ZINC000580053763 652365334 /nfs/dbraw/zinc/36/53/34/652365334.db2.gz OLGRDGXFMOPABD-NSHDSACASA-N 1 0 397.253 2.379 20 0 GEADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000580065017 652365586 /nfs/dbraw/zinc/36/55/86/652365586.db2.gz GHICLHFVHNGJHE-AAEUAGOBSA-N 1 0 380.794 2.141 20 0 GEADRO C[C@@H]1C[NH+](CCN2CCN(c3ccc(Br)cn3)CC2)C[C@@H](C)O1 ZINC000659825633 652367255 /nfs/dbraw/zinc/36/72/55/652367255.db2.gz CPGLBSSDXBDDHL-HUUCEWRRSA-N 1 0 383.334 2.075 20 0 GEADRO CC(C)O[C@@]1(CS(=O)(=O)NCC2([NH+](C)C)CCCCCC2)CCOC1 ZINC000659889128 652369672 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CO[C@H](C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)[C@H]1CCOC1 ZINC000625796704 652371649 /nfs/dbraw/zinc/37/16/49/652371649.db2.gz LEPNVMVHKSCZLL-JQHSSLGASA-N 1 0 384.314 2.310 20 0 GEADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3ccc(S(N)(=O)=O)s3)ccc21 ZINC000580282786 652373734 /nfs/dbraw/zinc/37/37/34/652373734.db2.gz DWNUWGJBPUNGMW-OAHLLOKOSA-N 1 0 379.507 2.126 20 0 GEADRO C[NH2+]CCOCCNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000625880608 652374449 /nfs/dbraw/zinc/37/44/49/652374449.db2.gz GBMKHSJREAUUHH-UHFFFAOYSA-N 1 0 396.289 2.051 20 0 GEADRO C[C@H](C[NH2+]C[C@H](O)COC1CCOCC1)Oc1cccc(Br)c1 ZINC000580304504 652375029 /nfs/dbraw/zinc/37/50/29/652375029.db2.gz IYSSKGSDEXYNOC-HIFRSBDPSA-N 1 0 388.302 2.363 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CCC(NS(N)(=O)=O)CC1 ZINC000626034448 652380057 /nfs/dbraw/zinc/38/00/57/652380057.db2.gz ARBNUIZMKFQHBU-CQSZACIVSA-N 1 0 376.320 2.158 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2nc3ccccc3cc2Br)n1 ZINC000580563610 652383928 /nfs/dbraw/zinc/38/39/28/652383928.db2.gz CMLRPZHHSYEJCD-UHFFFAOYSA-N 1 0 388.269 3.008 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)Cc1cccnc1 ZINC000580563991 652383952 /nfs/dbraw/zinc/38/39/52/652383952.db2.gz INVDWLGMNMEPRV-DOTOQJQBSA-N 1 0 395.297 2.025 20 0 GEADRO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660095607 652386257 /nfs/dbraw/zinc/38/62/57/652386257.db2.gz LAZBOKWSXORABZ-GFCCVEGCSA-N 1 0 399.365 2.416 20 0 GEADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580639940 652386385 /nfs/dbraw/zinc/38/63/85/652386385.db2.gz WFMFMRQDOUBPOG-SDDRHHMPSA-N 1 0 382.291 2.117 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(F)ccc1OCCOC ZINC000660107832 652387214 /nfs/dbraw/zinc/38/72/14/652387214.db2.gz MEHDOXCFXLFFQE-UHFFFAOYSA-N 1 0 376.494 2.250 20 0 GEADRO C[N@@H+]1C[C@H](C(=O)Nc2c[nH]cc(Br)c2=O)[C@@H](c2ccccc2)C1 ZINC000626295104 652388343 /nfs/dbraw/zinc/38/83/43/652388343.db2.gz YJJHMYLZBKXQKU-OLZOCXBDSA-N 1 0 376.254 2.421 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000660157923 652391218 /nfs/dbraw/zinc/39/12/18/652391218.db2.gz LVACCNHADJQRJC-CYBMUJFWSA-N 1 0 380.432 2.437 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000580755468 652391150 /nfs/dbraw/zinc/39/11/50/652391150.db2.gz ASRDSYBICIEBAW-CZUORRHYSA-N 1 0 385.302 2.347 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2sccc2Br)CCO1 ZINC000660159345 652391662 /nfs/dbraw/zinc/39/16/62/652391662.db2.gz SVHQIUHJJOFCHD-NSHDSACASA-N 1 0 397.360 2.242 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@H]1CCc2cc(Br)ccc21 ZINC000580835255 652394236 /nfs/dbraw/zinc/39/42/36/652394236.db2.gz DECCCDWKXCFNDB-WBVHZDCISA-N 1 0 381.314 2.442 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)Nc4ccc(Br)cc43)[C@@H]2C1 ZINC000580872652 652394470 /nfs/dbraw/zinc/39/44/70/652394470.db2.gz XZEGNBLYHOMFIS-DJSGYFEHSA-N 1 0 392.297 2.428 20 0 GEADRO O=C(NCCc1ccc(I)s1)NCC1CC[NH2+]CC1 ZINC000580882480 652395137 /nfs/dbraw/zinc/39/51/37/652395137.db2.gz KXWOKWSSKFNYSI-UHFFFAOYSA-N 1 0 393.294 2.194 20 0 GEADRO CC(C)(C)n1nnc(CC[NH2+][C@@H](CCO)c2ccccc2Br)n1 ZINC000660237492 652396296 /nfs/dbraw/zinc/39/62/96/652396296.db2.gz FLJHVAVCSFVOFT-AWEZNQCLSA-N 1 0 382.306 2.446 20 0 GEADRO CN1CC(=O)N(CC[N@H+]2CC=C(c3cccc(Br)c3)CC2)C1=O ZINC000660285868 652397501 /nfs/dbraw/zinc/39/75/01/652397501.db2.gz STFWLIYAJNRLAP-UHFFFAOYSA-N 1 0 378.270 2.432 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000753088725 652399345 /nfs/dbraw/zinc/39/93/45/652399345.db2.gz HUVYEMWDCCVQPO-JTQLQIEISA-N 1 0 388.299 2.285 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000626829567 652403889 /nfs/dbraw/zinc/40/38/89/652403889.db2.gz VFVCGARNSLDLPR-ZETCQYMHSA-N 1 0 378.629 2.000 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1Br ZINC000626830604 652404542 /nfs/dbraw/zinc/40/45/42/652404542.db2.gz OKWHNYKDUCQROO-NSHDSACASA-N 1 0 386.315 2.368 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1Br 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O=C(CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1ccc(Br)cc1 ZINC000662153702 652449221 /nfs/dbraw/zinc/44/92/21/652449221.db2.gz SPVPTXSUCTZWRS-QGZVFWFLSA-N 1 0 396.329 2.309 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662155099 652449576 /nfs/dbraw/zinc/44/95/76/652449576.db2.gz HNWPMNVIDNLIBZ-ZFWWWQNUSA-N 1 0 396.329 2.307 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C(=S)NCC[NH+](C)C ZINC000754859260 652449762 /nfs/dbraw/zinc/44/97/62/652449762.db2.gz ZJIASMFWPDJDLJ-UHFFFAOYSA-N 1 0 380.377 2.395 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)c2nc3ncc(Br)cn3n2)cc1F ZINC000754872872 652450021 /nfs/dbraw/zinc/45/00/21/652450021.db2.gz WARHAQLUJRTENW-UHFFFAOYSA-N 1 0 393.220 2.340 20 0 GEADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000582482655 652452311 /nfs/dbraw/zinc/45/23/11/652452311.db2.gz OBJXKVRGAKXWCG-CQSZACIVSA-N 1 0 397.317 2.209 20 0 GEADRO CN1CCN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000582534758 652454035 /nfs/dbraw/zinc/45/40/35/652454035.db2.gz YQTOXXRVPLNQBJ-VIFPVBQESA-N 1 0 379.661 2.348 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248915 652454299 /nfs/dbraw/zinc/45/42/99/652454299.db2.gz LWOSJBURQZQWDW-INIZCTEOSA-N 1 0 384.307 2.272 20 0 GEADRO O=C(Nc1ccccc1Br)C1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662256527 652454787 /nfs/dbraw/zinc/45/47/87/652454787.db2.gz IXLKGUDPISGVPU-AWEZNQCLSA-N 1 0 382.302 2.088 20 0 GEADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)CCC(F)(F)F)CC1 ZINC000582575105 652455591 /nfs/dbraw/zinc/45/55/91/652455591.db2.gz RXGZXXNXVJEJLA-CQSZACIVSA-N 1 0 388.496 2.462 20 0 GEADRO CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H](C[NH3+])C(F)(F)F ZINC000662331297 652456066 /nfs/dbraw/zinc/45/60/66/652456066.db2.gz NAHLNGDLXMSPKW-CYBMUJFWSA-N 1 0 377.388 2.067 20 0 GEADRO C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C[C@H]1CC1(C)C ZINC000662346556 652456747 /nfs/dbraw/zinc/45/67/47/652456747.db2.gz SWXUNTUQGPNHSK-GFCCVEGCSA-N 1 0 382.302 2.482 20 0 GEADRO O=C(NCCCS(=O)(=O)Cc1ccccc1)c1cc2c(s1)CC[NH2+]C2 ZINC000662382626 652458249 /nfs/dbraw/zinc/45/82/49/652458249.db2.gz OMOCFZJBYHFOJA-UHFFFAOYSA-N 1 0 378.519 2.129 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662386914 652458328 /nfs/dbraw/zinc/45/83/28/652458328.db2.gz OXGQRKGJYCWUGA-LBPRGKRZSA-N 1 0 392.301 2.326 20 0 GEADRO [NH3+]C1(CNC(=O)c2cc(Br)ccc2-n2cnnn2)CCCCCC1 ZINC000662398830 652459002 /nfs/dbraw/zinc/45/90/02/652459002.db2.gz JKOUNQAPJGQAOP-UHFFFAOYSA-N 1 0 393.289 2.206 20 0 GEADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000662401771 652459139 /nfs/dbraw/zinc/45/91/39/652459139.db2.gz AMFPTFCRIDLCJO-UHFFFAOYSA-N 1 0 384.910 2.251 20 0 GEADRO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCc2cc(Br)ccc21 ZINC000662417286 652460191 /nfs/dbraw/zinc/46/01/91/652460191.db2.gz OZGDHUIVUFDLST-UHFFFAOYSA-N 1 0 376.258 2.168 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582725662 652460855 /nfs/dbraw/zinc/46/08/55/652460855.db2.gz UVCSWIBRZFONNL-ZJUUUORDSA-N 1 0 379.707 2.333 20 0 GEADRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000662455462 652461774 /nfs/dbraw/zinc/46/17/74/652461774.db2.gz LTUZQTXOYSZWFE-LLVKDONJSA-N 1 0 375.782 2.406 20 0 GEADRO CCCNS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662483052 652463771 /nfs/dbraw/zinc/46/37/71/652463771.db2.gz ICGSPRSOVDGECV-UHFFFAOYSA-N 1 0 379.507 2.334 20 0 GEADRO C[N@H+](CC(=O)N1CCN(c2nccc3sccc32)CC1)[C@@H]1CCSC1 ZINC000582877046 652464993 /nfs/dbraw/zinc/46/49/93/652464993.db2.gz GVFHRSSQYIBTRE-CQSZACIVSA-N 1 0 376.551 2.382 20 0 GEADRO CC(C)([NH3+])c1cc(C(=O)NCc2cc(Br)c3c(c2)OCCO3)on1 ZINC000662539912 652466791 /nfs/dbraw/zinc/46/67/91/652466791.db2.gz NYUWZHUGUZPEMM-UHFFFAOYSA-N 1 0 396.241 2.332 20 0 GEADRO COCCOc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000582941189 652467813 /nfs/dbraw/zinc/46/78/13/652467813.db2.gz PMWQXFRDWQNKEI-CYBMUJFWSA-N 1 0 396.285 2.209 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CCCO1 ZINC000662574970 652468420 /nfs/dbraw/zinc/46/84/20/652468420.db2.gz ONTJOSYOBWJRGV-CYBMUJFWSA-N 1 0 380.242 2.294 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)Cc3c(Cl)cccc3Br)C[C@H]2[NH3+])cn1 ZINC000662580130 652468548 /nfs/dbraw/zinc/46/85/48/652468548.db2.gz MWJSRRWMHSHEMO-SWLSCSKDSA-N 1 0 397.704 2.332 20 0 GEADRO N[C@@H](C(=O)N1CCC[C@@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1Br ZINC000662583503 652468789 /nfs/dbraw/zinc/46/87/89/652468789.db2.gz VAJOMFJWFCIYPZ-UTJXIGIESA-N 1 0 396.329 2.194 20 0 GEADRO N[C@H](C(=O)N1CCC[C@@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1Br ZINC000662583501 652468878 /nfs/dbraw/zinc/46/88/78/652468878.db2.gz VAJOMFJWFCIYPZ-OMNBBPDLSA-N 1 0 396.329 2.194 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCC1([NH3+])CCCC1 ZINC000662647784 652469888 /nfs/dbraw/zinc/46/98/88/652469888.db2.gz DDJHGYKIUUIJAF-UHFFFAOYSA-N 1 0 389.315 2.162 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000628750079 652470037 /nfs/dbraw/zinc/47/00/37/652470037.db2.gz QKPUBANXWPJDQZ-CYBMUJFWSA-N 1 0 392.301 2.492 20 0 GEADRO C[C@H](NC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000662657492 652470046 /nfs/dbraw/zinc/47/00/46/652470046.db2.gz SJLIJNYBQHDCNM-TVYUQYBPSA-N 1 0 395.257 2.040 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662750513 652473208 /nfs/dbraw/zinc/47/32/08/652473208.db2.gz MTNJNTZIVRLCDZ-SECBINFHSA-N 1 0 397.248 2.038 20 0 GEADRO Cc1cc(Br)cc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1N ZINC000662765013 652473618 /nfs/dbraw/zinc/47/36/18/652473618.db2.gz CPKHIDKKVKEDNB-GFCCVEGCSA-N 1 0 393.289 2.498 20 0 GEADRO C[C@]1(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCC[NH2+]C1 ZINC000662764711 652473638 /nfs/dbraw/zinc/47/36/38/652473638.db2.gz NCJRWKVWNVGJCX-VYDXJSESSA-N 1 0 382.302 2.428 20 0 GEADRO Cc1c2cc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)[nH]c2ccc1Br ZINC000662777455 652473876 /nfs/dbraw/zinc/47/38/76/652473876.db2.gz BOGNKHFSQATOFI-CYBMUJFWSA-N 1 0 391.313 2.359 20 0 GEADRO COC[C@@](C)(O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000583140185 652474074 /nfs/dbraw/zinc/47/40/74/652474074.db2.gz QZMPLGIYYDEEQW-WFASDCNBSA-N 1 0 396.709 2.219 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000662800868 652475034 /nfs/dbraw/zinc/47/50/34/652475034.db2.gz ULMXVGNMNSRBAB-CVEARBPZSA-N 1 0 383.286 2.183 20 0 GEADRO CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000662797280 652475106 /nfs/dbraw/zinc/47/51/06/652475106.db2.gz XJMHPJUUHGVXCI-LRDDRELGSA-N 1 0 384.318 2.445 20 0 GEADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c2ccccc12 ZINC000755754259 652475321 /nfs/dbraw/zinc/47/53/21/652475321.db2.gz VTWRVYYAQANEEO-CHWSQXEVSA-N 1 0 378.270 2.475 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)CN1CSCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968732 652476383 /nfs/dbraw/zinc/47/63/83/652476383.db2.gz NHHZKDGVQJAFLE-CYBMUJFWSA-N 1 0 376.309 2.245 20 0 GEADRO Cn1ccnc1[C@@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755787549 652476468 /nfs/dbraw/zinc/47/64/68/652476468.db2.gz APFGHLWSONXTLZ-GFCCVEGCSA-N 1 0 388.269 2.340 20 0 GEADRO Cn1cc(Br)c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)n1 ZINC000662868661 652477062 /nfs/dbraw/zinc/47/70/62/652477062.db2.gz OEIIBWNBXLDAQM-TZMCWYRMSA-N 1 0 381.249 2.197 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000662877079 652477401 /nfs/dbraw/zinc/47/74/01/652477401.db2.gz PPLIJXBXWPUMOY-UHFFFAOYSA-N 1 0 382.913 2.376 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000662926445 652478508 /nfs/dbraw/zinc/47/85/08/652478508.db2.gz SSLDVOSETOBZEF-UHFFFAOYSA-N 1 0 382.291 2.434 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000662942143 652479409 /nfs/dbraw/zinc/47/94/09/652479409.db2.gz DWQHDNIMSIMUJV-AWEZNQCLSA-N 1 0 386.265 2.059 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C[C@H]1C[NH3+] ZINC000662968743 652479652 /nfs/dbraw/zinc/47/96/52/652479652.db2.gz HNCXXOSOYSLFHT-DGCLKSJQSA-N 1 0 384.307 2.321 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H](N)c2ccccc2Br)CCO1 ZINC000662973221 652479994 /nfs/dbraw/zinc/47/99/94/652479994.db2.gz QIJPYGUJFSPILG-CZUORRHYSA-N 1 0 384.318 2.018 20 0 GEADRO C[C@@]1(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000663006731 652481213 /nfs/dbraw/zinc/48/12/13/652481213.db2.gz VPAGVBZPAYFUGV-GOSISDBHSA-N 1 0 394.313 2.170 20 0 GEADRO Cn1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc(Br)c1=O ZINC000583369527 652482040 /nfs/dbraw/zinc/48/20/40/652482040.db2.gz OGRWZIMKDOLCQM-DZGCQCFKSA-N 1 0 391.269 2.025 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000583396334 652483182 /nfs/dbraw/zinc/48/31/82/652483182.db2.gz OEXZGVMHWACQLQ-IOASZLSFSA-N 1 0 396.329 2.095 20 0 GEADRO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Br)n1 ZINC000756018020 652484871 /nfs/dbraw/zinc/48/48/71/652484871.db2.gz REXOXSUHVQMTQW-AEGPPILISA-N 1 0 382.302 2.476 20 0 GEADRO COCC1(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC[NH2+]CC1 ZINC000583439493 652485041 /nfs/dbraw/zinc/48/50/41/652485041.db2.gz UDGZCULOHIEEGB-ZDUSSCGKSA-N 1 0 387.249 2.154 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000583509892 652488018 /nfs/dbraw/zinc/48/80/18/652488018.db2.gz AATCGHGXLFUJTQ-UHFFFAOYSA-N 1 0 396.329 2.318 20 0 GEADRO CN1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CCC1=O ZINC000583638752 652492494 /nfs/dbraw/zinc/49/24/94/652492494.db2.gz IOELLNCDJWGWSO-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO [NH3+]C[C@@H]1CCCN(CC(=O)Nc2ccc(Br)cn2)[C@@H]1C(F)(F)F ZINC000629582459 652493874 /nfs/dbraw/zinc/49/38/74/652493874.db2.gz VEUFCYPJLVXYLI-ZANVPECISA-N 1 0 395.223 2.384 20 0 GEADRO CCn1c2ccc(Br)cc2nc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629576992 652493978 /nfs/dbraw/zinc/49/39/78/652493978.db2.gz WTKUJVMQVJYVLP-AWEZNQCLSA-N 1 0 381.318 2.365 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584980 652494265 /nfs/dbraw/zinc/49/42/65/652494265.db2.gz IGTOWXMXJFLHAW-IYBDPMFKSA-N 1 0 386.359 2.400 20 0 GEADRO CC1CCC(O)(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000663342634 652494440 /nfs/dbraw/zinc/49/44/40/652494440.db2.gz FSOUTSHVHKWLOW-UHFFFAOYSA-N 1 0 391.331 2.127 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000629821742 652495530 /nfs/dbraw/zinc/49/55/30/652495530.db2.gz KHMXLKWSAADHEB-OCCSQVGLSA-N 1 0 396.329 2.349 20 0 GEADRO O=C(CC[NH+]1CCN([C@@H]2CCOC2)CC1)Nc1ccccc1Br ZINC000663390174 652496545 /nfs/dbraw/zinc/49/65/45/652496545.db2.gz DOPRTMSSEPCCPK-CQSZACIVSA-N 1 0 382.302 2.184 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000663411524 652497331 /nfs/dbraw/zinc/49/73/31/652497331.db2.gz QOPDQXQRZFGFPN-UHFFFAOYSA-N 1 0 375.300 2.155 20 0 GEADRO FC(F)(F)COCCC[NH+]1CCN(c2cc(Br)cnn2)CC1 ZINC000663423118 652497977 /nfs/dbraw/zinc/49/79/77/652497977.db2.gz RHBHGGFSFHVNGJ-UHFFFAOYSA-N 1 0 383.212 2.330 20 0 GEADRO Brc1ccc(-c2nnc(CN[C@@H](C3CC3)[C@H]3C[NH2+]CCO3)[nH]2)cc1 ZINC000583865858 652500466 /nfs/dbraw/zinc/50/04/66/652500466.db2.gz JUBJASJBBGFOFZ-ZBFHGGJFSA-N 1 0 392.301 2.091 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663487167 652501789 /nfs/dbraw/zinc/50/17/89/652501789.db2.gz YSXZFFFVQQOKNH-JTQLQIEISA-N 1 0 389.677 2.071 20 0 GEADRO Cc1nc(C)c(Br)c(N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000663593789 652504986 /nfs/dbraw/zinc/50/49/86/652504986.db2.gz QUTLMSNXAQRRIL-OAHLLOKOSA-N 1 0 382.350 2.461 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663604795 652505772 /nfs/dbraw/zinc/50/57/72/652505772.db2.gz NFVFJWUWHFTPHQ-SECBINFHSA-N 1 0 379.766 2.293 20 0 GEADRO O=C(Nc1ccc(OC(F)(F)F)cc1Cl)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000663603892 652505903 /nfs/dbraw/zinc/50/59/03/652505903.db2.gz KDEDPAHKQGMCGE-VIFPVBQESA-N 1 0 379.766 2.435 20 0 GEADRO C[C@]1(NC(=O)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC[NH2+]C1 ZINC000663611339 652506435 /nfs/dbraw/zinc/50/64/35/652506435.db2.gz KHNCZTNTJGUUDA-KRWDZBQOSA-N 1 0 378.885 2.194 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663612767 652506696 /nfs/dbraw/zinc/50/66/96/652506696.db2.gz LFQVXYOJRLNNDA-INIZCTEOSA-N 1 0 384.274 2.043 20 0 GEADRO C[C@]1(NC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC[NH2+]C1 ZINC000663613444 652506773 /nfs/dbraw/zinc/50/67/73/652506773.db2.gz QRQMDLBJVWLHBI-ZDUSSCGKSA-N 1 0 378.629 2.048 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C[C@@]1(C)C[NH3+] ZINC000584052307 652507106 /nfs/dbraw/zinc/50/71/06/652507106.db2.gz BUOOMOJBYCUHCA-PIGZYNQJSA-N 1 0 378.523 2.443 20 0 GEADRO [NH3+]CC1(CC(=O)Nc2cc(-c3ccc(Br)cc3)nn2CCO)CC1 ZINC000584051505 652507136 /nfs/dbraw/zinc/50/71/36/652507136.db2.gz AWFUMLQNVUJVRO-UHFFFAOYSA-N 1 0 393.285 2.372 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000584160647 652511634 /nfs/dbraw/zinc/51/16/34/652511634.db2.gz CZNTYEKVSBJOQP-LLVKDONJSA-N 1 0 391.269 2.133 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1ccc2cncc(Br)c2n1 ZINC000630732543 652514162 /nfs/dbraw/zinc/51/41/62/652514162.db2.gz ITGXEDRUNUQPGK-UHFFFAOYSA-N 1 0 381.274 2.090 20 0 GEADRO C[C@@H](CCNC(=O)NCCCNC(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000663926858 652516875 /nfs/dbraw/zinc/51/68/75/652516875.db2.gz GYYLFEJVZNMIPU-ZDUSSCGKSA-N 1 0 399.333 2.208 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000584339239 652517072 /nfs/dbraw/zinc/51/70/72/652517072.db2.gz VULCNIYNRBUXRC-UHFFFAOYSA-N 1 0 393.285 2.440 20 0 GEADRO COc1ccc(CNC(=O)c2cnn(CC[NH+](C)C)c2)cc1Br ZINC000630889539 652517358 /nfs/dbraw/zinc/51/73/58/652517358.db2.gz NNEDCWYQNPAJDU-UHFFFAOYSA-N 1 0 381.274 2.146 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCn1cc(Br)cn1 ZINC000584372686 652518534 /nfs/dbraw/zinc/51/85/34/652518534.db2.gz GWIHKVBIVJKUJN-KBPBESRZSA-N 1 0 386.338 2.407 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(OC)c(OC)cc2Cl)CC1 ZINC000631038648 652518810 /nfs/dbraw/zinc/51/88/10/652518810.db2.gz FOBJIBPPIYUSPB-UHFFFAOYSA-N 1 0 376.906 2.261 20 0 GEADRO COCCc1ncc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000631047099 652518816 /nfs/dbraw/zinc/51/88/16/652518816.db2.gz KIYYIXQMFLZXHC-CYBMUJFWSA-N 1 0 383.539 2.433 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNCc2ccncc2Br)CC1 ZINC000631052526 652519057 /nfs/dbraw/zinc/51/90/57/652519057.db2.gz NCKBPIGSSSJLBL-UHFFFAOYSA-N 1 0 376.302 2.281 20 0 GEADRO NS(=O)(=O)c1c(NC[C@H]2CC[N@@H+](C3CC3)C2)cccc1OC(F)(F)F ZINC000631059446 652519663 /nfs/dbraw/zinc/51/96/63/652519663.db2.gz TUFKGAPMCHYNEO-SNVBAGLBSA-N 1 0 379.404 2.129 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000631371445 652522337 /nfs/dbraw/zinc/52/23/37/652522337.db2.gz FBVPAQPBMIIEHT-RCCFBDPRSA-N 1 0 393.325 2.298 20 0 GEADRO CN(Cc1ccc(F)cc1Br)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000584589402 652524605 /nfs/dbraw/zinc/52/46/05/652524605.db2.gz PPYMFLVXCFACNU-UHFFFAOYSA-N 1 0 396.264 2.376 20 0 GEADRO O=C(NC[C@H]1CCCN(C(=O)NCc2ccc(Cl)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000584708537 652526599 /nfs/dbraw/zinc/52/65/99/652526599.db2.gz INPUTGNBSYNYFC-OCCSQVGLSA-N 1 0 384.933 2.191 20 0 GEADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NC[C@@H]1C[NH2+]CCCO1 ZINC000584721920 652527138 /nfs/dbraw/zinc/52/71/38/652527138.db2.gz XYVHMTQVSFSGLM-NSHDSACASA-N 1 0 380.798 2.051 20 0 GEADRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000584720444 652527180 /nfs/dbraw/zinc/52/71/80/652527180.db2.gz SWKKVSXWAKXHLS-QMMMGPOBSA-N 1 0 375.210 2.484 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)c3nccn3c2)CCSC1 ZINC000631619148 652528603 /nfs/dbraw/zinc/52/86/03/652528603.db2.gz PDTPIPUCIPPDKY-HNNXBMFYSA-N 1 0 383.315 2.264 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Br)c3nccn3c2)CCSC1 ZINC000631619149 652528738 /nfs/dbraw/zinc/52/87/38/652528738.db2.gz PDTPIPUCIPPDKY-OAHLLOKOSA-N 1 0 383.315 2.264 20 0 GEADRO CC[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000584814915 652530344 /nfs/dbraw/zinc/53/03/44/652530344.db2.gz XZZWRPVCJPICQZ-CZUORRHYSA-N 1 0 389.949 2.010 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+][C@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)CC2)N1 ZINC000631703044 652531531 /nfs/dbraw/zinc/53/15/31/652531531.db2.gz RHYJKYIVRWYALZ-UPOKQJDWSA-N 1 0 390.281 2.198 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000584846678 652531869 /nfs/dbraw/zinc/53/18/69/652531869.db2.gz XPTWVVYLVWVZNU-UHFFFAOYSA-N 1 0 394.269 2.124 20 0 GEADRO CC[NH+]1CCC(CNS(=O)(=O)Cc2ncsc2Br)CC1 ZINC000631791762 652534339 /nfs/dbraw/zinc/53/43/39/652534339.db2.gz AUGUCZMUAXJHKB-UHFFFAOYSA-N 1 0 382.349 2.057 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Br)c2nccn2c1 ZINC000631801365 652535379 /nfs/dbraw/zinc/53/53/79/652535379.db2.gz FMRNIWQSAGUQPP-CQSZACIVSA-N 1 0 393.285 2.080 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631810580 652535595 /nfs/dbraw/zinc/53/55/95/652535595.db2.gz WDIDOZMOOHSQSW-GXFFZTMASA-N 1 0 399.314 2.479 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000664731770 652537226 /nfs/dbraw/zinc/53/72/26/652537226.db2.gz JUELCWGJNCJGEC-UHFFFAOYSA-N 1 0 376.284 2.344 20 0 GEADRO C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)cn1 ZINC000664792476 652539492 /nfs/dbraw/zinc/53/94/92/652539492.db2.gz PHDNBZOZENQASX-CYBMUJFWSA-N 1 0 386.338 2.088 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)Cc2ncsc2Br)CCCCCC1 ZINC000631908281 652540064 /nfs/dbraw/zinc/54/00/64/652540064.db2.gz IVDXEFFBKSRLLV-UHFFFAOYSA-N 1 0 382.349 2.377 20 0 GEADRO CC[C@H](NS(=O)(=O)N(C)C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000631912132 652540380 /nfs/dbraw/zinc/54/03/80/652540380.db2.gz DXZMFGXSZKBAHU-AWEZNQCLSA-N 1 0 377.457 2.257 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)NCc1ccsc1Br ZINC000664837857 652540460 /nfs/dbraw/zinc/54/04/60/652540460.db2.gz LEMLDCGUVAXCPC-UHFFFAOYSA-N 1 0 377.352 2.193 20 0 GEADRO CC[C@@H](NS(=O)(=O)N(C)C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000631912133 652540518 /nfs/dbraw/zinc/54/05/18/652540518.db2.gz DXZMFGXSZKBAHU-CQSZACIVSA-N 1 0 377.457 2.257 20 0 GEADRO C[C@@H]1CN(C(=O)c2scnc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000758427426 652540996 /nfs/dbraw/zinc/54/09/96/652540996.db2.gz OLELWCYUIZHHQR-NEPJUHHUSA-N 1 0 387.347 2.004 20 0 GEADRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)Cc1ncsc1Br ZINC000631932219 652541554 /nfs/dbraw/zinc/54/15/54/652541554.db2.gz MOLCPTYBZBCTTA-JOYOIKCWSA-N 1 0 382.349 2.233 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000631977298 652543861 /nfs/dbraw/zinc/54/38/61/652543861.db2.gz OITAUTCGLRUOCW-JYJNAYRXSA-N 1 0 382.517 2.478 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCSCc1ccnc(Cl)c1 ZINC000758477490 652544094 /nfs/dbraw/zinc/54/40/94/652544094.db2.gz GOKYXJAAXXEMOA-OAHLLOKOSA-N 1 0 386.949 2.378 20 0 GEADRO Cc1cc(Cl)cc2c1N(S(=O)(=O)CCCN1CC[NH+](C)CC1)CCC2 ZINC000631989230 652545218 /nfs/dbraw/zinc/54/52/18/652545218.db2.gz PKFHBCDTTOJMSL-UHFFFAOYSA-N 1 0 385.961 2.368 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000665142166 652546175 /nfs/dbraw/zinc/54/61/75/652546175.db2.gz IZGUAXMZTTWWNI-UHFFFAOYSA-N 1 0 385.350 2.440 20 0 GEADRO O=S(=O)(c1ccc(C(F)F)o1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000632057093 652547479 /nfs/dbraw/zinc/54/74/79/652547479.db2.gz STHHHJKJIXQPCE-UHFFFAOYSA-N 1 0 378.441 2.483 20 0 GEADRO CCN(C[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1)CC(F)(F)F ZINC000632065102 652548379 /nfs/dbraw/zinc/54/83/79/652548379.db2.gz WYQHUSYOAVGVTI-HNNXBMFYSA-N 1 0 385.496 2.008 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632085054 652550319 /nfs/dbraw/zinc/55/03/19/652550319.db2.gz RSMMALDYSNWWNT-UHFFFAOYSA-N 1 0 382.433 2.243 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC000665344603 652550591 /nfs/dbraw/zinc/55/05/91/652550591.db2.gz PKBYNINPOOHJCS-UHFFFAOYSA-N 1 0 375.300 2.155 20 0 GEADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C(F)F)o1 ZINC000632118152 652551507 /nfs/dbraw/zinc/55/15/07/652551507.db2.gz IDKUYTDFJQVHPE-OLZOCXBDSA-N 1 0 378.441 2.263 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2ncsc2Br)C1 ZINC000632121652 652551862 /nfs/dbraw/zinc/55/18/62/652551862.db2.gz AHDRDSIGRACVKT-CMPLNLGQSA-N 1 0 394.360 2.152 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000665489165 652553139 /nfs/dbraw/zinc/55/31/39/652553139.db2.gz JMOLWNGWSKRFEC-UHFFFAOYSA-N 1 0 385.331 2.359 20 0 GEADRO NC(=O)c1c[nH+]ccc1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000665755199 652559222 /nfs/dbraw/zinc/55/92/22/652559222.db2.gz CENNZVQZWHNKTG-UHFFFAOYSA-N 1 0 389.297 2.441 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(Br)c1 ZINC000632368289 652559683 /nfs/dbraw/zinc/55/96/83/652559683.db2.gz FKJWSLDJVGBSTB-GXFFZTMASA-N 1 0 377.304 2.171 20 0 GEADRO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000589187712 652561398 /nfs/dbraw/zinc/56/13/98/652561398.db2.gz KSRXNNHGIDDPHP-XJKSGUPXSA-N 1 0 388.917 2.324 20 0 GEADRO CN(C1CCN(CCC(F)(F)F)CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632429903 652563440 /nfs/dbraw/zinc/56/34/40/652563440.db2.gz XHLHFVYASJRYBP-UHFFFAOYSA-N 1 0 385.496 2.151 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)s1 ZINC000759162006 652565220 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OFZLDNQSNSKXFN-UHFFFAOYSA-N 1 0 390.347 2.417 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)ccc1Cl ZINC000632891412 652582306 /nfs/dbraw/zinc/58/23/06/652582306.db2.gz BEJNDVIULLOMNM-RYUDHWBXSA-N 1 0 388.921 2.324 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000632892392 652582433 /nfs/dbraw/zinc/58/24/33/652582433.db2.gz ZAGCUKHUNMTDLG-CYBMUJFWSA-N 1 0 398.301 2.043 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)ccc1Br ZINC000633044755 652583359 /nfs/dbraw/zinc/58/33/59/652583359.db2.gz FUYVGKNEPKAESU-GFCCVEGCSA-N 1 0 398.301 2.291 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000633047265 652583746 /nfs/dbraw/zinc/58/37/46/652583746.db2.gz LEUPPRCKPYAQFK-NSHDSACASA-N 1 0 386.265 2.421 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)C1 ZINC000592100396 652585655 /nfs/dbraw/zinc/58/56/55/652585655.db2.gz AQRCETCAGNTIAC-CYBMUJFWSA-N 1 0 377.432 2.420 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000633143603 652587768 /nfs/dbraw/zinc/58/77/68/652587768.db2.gz IXSCRWZINACJRO-ZBFHGGJFSA-N 1 0 392.301 2.427 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000667127185 652592602 /nfs/dbraw/zinc/59/26/02/652592602.db2.gz GCVHQBUTVUOVOU-INIZCTEOSA-N 1 0 386.905 2.319 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H]3CCC[NH2+]CC3)ccc2s1 ZINC000592387300 652592870 /nfs/dbraw/zinc/59/28/70/652592870.db2.gz INCMQVKZKLTBOE-CYBMUJFWSA-N 1 0 382.507 2.498 20 0 GEADRO COc1cc([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)ccc1SC(F)F ZINC000760045237 652593485 /nfs/dbraw/zinc/59/34/85/652593485.db2.gz GYYHAICZSAIDPU-NSHDSACASA-N 1 0 397.513 2.493 20 0 GEADRO O=C(CCOc1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000592404471 652593609 /nfs/dbraw/zinc/59/36/09/652593609.db2.gz JZVOEAWGNREWHL-IRXDYDNUSA-N 1 0 397.313 2.276 20 0 GEADRO Cn1cc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(Br)c1=O ZINC000667203905 652596751 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O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000633480683 652599688 /nfs/dbraw/zinc/59/96/88/652599688.db2.gz XJQYXQZFKXBJTR-BZZMCLGOSA-N 1 0 393.325 2.298 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(Br)cc1Cl ZINC000592550448 652599953 /nfs/dbraw/zinc/59/99/53/652599953.db2.gz GNGLENORUWUZCO-LBPRGKRZSA-N 1 0 375.650 2.080 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc2cc(Br)cc(C)c2o1 ZINC000592550770 652599989 /nfs/dbraw/zinc/59/99/89/652599989.db2.gz IVIQXDHSVCKHNW-ZDUSSCGKSA-N 1 0 395.253 2.481 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cccc(Br)c1Cl ZINC000592557538 652600281 /nfs/dbraw/zinc/60/02/81/652600281.db2.gz ZORQSYVDFRRAIF-LLVKDONJSA-N 1 0 375.650 2.080 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000667303676 652600564 /nfs/dbraw/zinc/60/05/64/652600564.db2.gz ZDXLFMVJGGJCES-UHFFFAOYSA-N 1 0 393.285 2.440 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000760256219 652601052 /nfs/dbraw/zinc/60/10/52/652601052.db2.gz NZRGOUJCBIOQGI-ZDUSSCGKSA-N 1 0 393.285 2.085 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667372134 652602618 /nfs/dbraw/zinc/60/26/18/652602618.db2.gz HHUGZKCDFKIWAV-SSDOTTSWSA-N 1 0 378.629 2.130 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)CCO1 ZINC000633649777 652605614 /nfs/dbraw/zinc/60/56/14/652605614.db2.gz ADWZZUWCLSXRLV-QCZZGDTMSA-N 1 0 386.265 2.333 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3Cl)C[C@H]12 ZINC000667472744 652607038 /nfs/dbraw/zinc/60/70/38/652607038.db2.gz YPHUOPRXPMLRPU-PTOFAABTSA-N 1 0 386.677 2.237 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1Cl)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667507280 652609301 /nfs/dbraw/zinc/60/93/01/652609301.db2.gz KGANGUPPRBIEIM-QMMMGPOBSA-N 1 0 392.656 2.438 20 0 GEADRO O=C(Nc1cc(F)ccc1SCC(F)F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667505825 652609319 /nfs/dbraw/zinc/60/93/19/652609319.db2.gz CLAZOPNQECMVPU-NSHDSACASA-N 1 0 375.416 2.380 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC[NH2+]1 ZINC000667516359 652609738 /nfs/dbraw/zinc/60/97/38/652609738.db2.gz FLXWVWLAQYMGTR-GFCCVEGCSA-N 1 0 388.693 2.497 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000667524119 652610607 /nfs/dbraw/zinc/61/06/07/652610607.db2.gz ALZWLBFRTXNRSK-PHIMTYICSA-N 1 0 386.677 2.394 20 0 GEADRO C[NH+]1CCC(CNC(=S)NCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000760472953 652611054 /nfs/dbraw/zinc/61/10/54/652611054.db2.gz AVFGJRDVNZIXBM-UHFFFAOYSA-N 1 0 376.448 2.329 20 0 GEADRO C[C@H](O)C[NH+]1CCN(Cc2cc(Cl)ccc2I)CC1 ZINC000593011827 652611639 /nfs/dbraw/zinc/61/16/39/652611639.db2.gz QNCLWQACPVUOPV-NSHDSACASA-N 1 0 394.684 2.443 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2c(C)ccc(F)c2Br)CC[C@@H]1[NH3+] ZINC000667545205 652612161 /nfs/dbraw/zinc/61/21/61/652612161.db2.gz OBVGPWLQKDMBKA-PWSUYJOCSA-N 1 0 386.265 2.421 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[C@H]1[NH3+] ZINC000667545338 652612198 /nfs/dbraw/zinc/61/21/98/652612198.db2.gz RLTDLMZAOBGBMM-GXFFZTMASA-N 1 0 395.301 2.246 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2c(F)ccc(C)c2Br)CC[C@@H]1[NH3+] ZINC000667548482 652612479 /nfs/dbraw/zinc/61/24/79/652612479.db2.gz NZYHQGDKJWDARM-PWSUYJOCSA-N 1 0 386.265 2.421 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cn1 ZINC000633768721 652612950 /nfs/dbraw/zinc/61/29/50/652612950.db2.gz KFTNBWPXENCZKS-HYVNUMGLSA-N 1 0 389.297 2.275 20 0 GEADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000760817943 652625347 /nfs/dbraw/zinc/62/53/47/652625347.db2.gz GUWFEBYZFBACRV-AWEZNQCLSA-N 1 0 377.360 2.380 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3c2OCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000593582914 652626685 /nfs/dbraw/zinc/62/66/85/652626685.db2.gz FBXSIDIKJJNDEU-JKSUJKDBSA-N 1 0 382.551 2.212 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000760892135 652627136 /nfs/dbraw/zinc/62/71/36/652627136.db2.gz JDPCJQRXUYYCPF-UHFFFAOYSA-N 1 0 386.949 2.362 20 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Ic1cccnc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596269445 652757364 /nfs/dbraw/zinc/75/73/64/652757364.db2.gz UVTIFGWJADBKQX-UHFFFAOYSA-N 1 0 387.265 2.377 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000763611280 652764202 /nfs/dbraw/zinc/76/42/02/652764202.db2.gz CEJBXDVXOICUJQ-CABCVRRESA-N 1 0 388.965 2.121 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000635907625 652764920 /nfs/dbraw/zinc/76/49/20/652764920.db2.gz WUCXJQGXDPSAKM-NSHDSACASA-N 1 0 378.416 2.067 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636009334 652773907 /nfs/dbraw/zinc/77/39/07/652773907.db2.gz YXZRVPZPDKXXPO-CABCVRRESA-N 1 0 383.330 2.367 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000670985032 652774124 /nfs/dbraw/zinc/77/41/24/652774124.db2.gz AFAFVNXIAILSAG-CYBMUJFWSA-N 1 0 396.329 2.222 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636048189 652776138 /nfs/dbraw/zinc/77/61/38/652776138.db2.gz PGEYDVXUAILFFA-NSHDSACASA-N 1 0 389.265 2.173 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671107913 652778653 /nfs/dbraw/zinc/77/86/53/652778653.db2.gz LKFUVDWPPSIUQY-CVEARBPZSA-N 1 0 394.313 2.117 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104761 652778676 /nfs/dbraw/zinc/77/86/76/652778676.db2.gz FTLGZYCBBMXGNM-HZPDHXFCSA-N 1 0 394.313 2.151 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671107546 652778751 /nfs/dbraw/zinc/77/87/51/652778751.db2.gz QDSDIOLLQGAIIP-CVEARBPZSA-N 1 0 384.307 2.395 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671105957 652778803 /nfs/dbraw/zinc/77/88/03/652778803.db2.gz PQEKPCKNCGWVKR-HZPDHXFCSA-N 1 0 394.313 2.151 20 0 GEADRO C[C@@]1(NC(=O)NCc2ccc(I)cc2Cl)CC[NH2+]C1 ZINC000597431922 652782971 /nfs/dbraw/zinc/78/29/71/652782971.db2.gz AFFLPBBQWDZICZ-CYBMUJFWSA-N 1 0 393.656 2.496 20 0 GEADRO C[C@]1(NC(=O)NCc2ccc(I)c(Cl)c2)CC[NH2+]C1 ZINC000597432296 652783105 /nfs/dbraw/zinc/78/31/05/652783105.db2.gz FQKMENAKKGTKGU-ZDUSSCGKSA-N 1 0 393.656 2.496 20 0 GEADRO C[NH+](C)CC1(C(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)CC1 ZINC000636255646 652791400 /nfs/dbraw/zinc/79/14/00/652791400.db2.gz IQFFYOJTCYESDT-GOSISDBHSA-N 1 0 381.314 2.127 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cc(Br)ccc1C ZINC000671366239 652793841 /nfs/dbraw/zinc/79/38/41/652793841.db2.gz RGIAUTZRJBSVTC-CYBMUJFWSA-N 1 0 384.318 2.220 20 0 GEADRO C[C@@H](CCNC(=O)COc1ccc(I)cc1)[NH+](C)C ZINC000597999191 652797285 /nfs/dbraw/zinc/79/72/85/652797285.db2.gz RDIDTRHJGZCXNF-NSHDSACASA-N 1 0 376.238 2.126 20 0 GEADRO CC[C@H](NC(=S)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cccs1 ZINC000764501282 652802680 /nfs/dbraw/zinc/80/26/80/652802680.db2.gz COTPBCUZBLUGPX-GJZGRUSLSA-N 1 0 380.583 2.312 20 0 GEADRO O=C(NCc1ccccc1Br)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636509467 652806229 /nfs/dbraw/zinc/80/62/29/652806229.db2.gz YFSHZIRZQJPVHA-OAHLLOKOSA-N 1 0 394.313 2.198 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000671686125 652807860 /nfs/dbraw/zinc/80/78/60/652807860.db2.gz OTLCVVMSASTSNU-LLVKDONJSA-N 1 0 375.416 2.321 20 0 GEADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000636567721 652808835 /nfs/dbraw/zinc/80/88/35/652808835.db2.gz MDSYYJHBKVTEHS-RYUDHWBXSA-N 1 0 375.416 2.126 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000636618728 652811726 /nfs/dbraw/zinc/81/17/26/652811726.db2.gz MEPZCSHXJJGIJE-AWEZNQCLSA-N 1 0 394.317 2.155 20 0 GEADRO C[C@H](NC(=O)C(=O)NCc1csc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000636649433 652814560 /nfs/dbraw/zinc/81/45/60/652814560.db2.gz GNQDVVKPTOQIBP-JTQLQIEISA-N 1 0 377.432 2.230 20 0 GEADRO COCC[C@H](C)NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636654583 652815006 /nfs/dbraw/zinc/81/50/06/652815006.db2.gz BPFNAJFKHZOSIZ-NHYWBVRUSA-N 1 0 390.311 2.254 20 0 GEADRO Cn1ncc(C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1Br ZINC000765003989 652818494 /nfs/dbraw/zinc/81/84/94/652818494.db2.gz UCJQRAZPQZDBQR-UHFFFAOYSA-N 1 0 379.302 2.429 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2sccc2Br)C1 ZINC000671959432 652822605 /nfs/dbraw/zinc/82/26/05/652822605.db2.gz UQOBXSBJPGNJBG-LLVKDONJSA-N 1 0 388.331 2.116 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccccc1Br)NC[C@@H]1CCCC[NH2+]1 ZINC000636988320 652834023 /nfs/dbraw/zinc/83/40/23/652834023.db2.gz IACGKVPMFACHCH-HIFRSBDPSA-N 1 0 384.318 2.041 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672743759 652841711 /nfs/dbraw/zinc/84/17/11/652841711.db2.gz MZCYIPFBODWRQO-CQSZACIVSA-N 1 0 398.345 2.478 20 0 GEADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)s1 ZINC000598961086 652842769 /nfs/dbraw/zinc/84/27/69/652842769.db2.gz YSNJWQYWMBRGPQ-UHFFFAOYSA-N 1 0 388.555 2.465 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000599004679 652844553 /nfs/dbraw/zinc/84/45/53/652844553.db2.gz NNYLKNRXKRRBBT-UHFFFAOYSA-N 1 0 383.695 2.323 20 0 GEADRO Cc1ncc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000637226350 652847187 /nfs/dbraw/zinc/84/71/87/652847187.db2.gz UUYWJHXVUAHEEX-GFCCVEGCSA-N 1 0 380.539 2.281 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000637238701 652847810 /nfs/dbraw/zinc/84/78/10/652847810.db2.gz XHGAHFTYHJOZIJ-NSHDSACASA-N 1 0 377.794 2.185 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000599089687 652848549 /nfs/dbraw/zinc/84/85/49/652848549.db2.gz VHEKRXBSDGAZTE-NSHDSACASA-N 1 0 389.265 2.178 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000599089366 652848567 /nfs/dbraw/zinc/84/85/67/652848567.db2.gz SARUMXICLADITI-AWEZNQCLSA-N 1 0 383.286 2.404 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2ncc(Br)cn2n1 ZINC000637254830 652848711 /nfs/dbraw/zinc/84/87/11/652848711.db2.gz DASYNHZVPZSJAG-WCQYABFASA-N 1 0 378.274 2.191 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1I ZINC000599105701 652850082 /nfs/dbraw/zinc/85/00/82/652850082.db2.gz PVOZCZSGNLIJNE-MNOVXSKESA-N 1 0 394.278 2.018 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000599112280 652851087 /nfs/dbraw/zinc/85/10/87/652851087.db2.gz YQZLMNMCFRKZRF-CALCHBBNSA-N 1 0 386.901 2.137 20 0 GEADRO O=C(NCC[NH2+]C1CC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000637340719 652852119 /nfs/dbraw/zinc/85/21/19/652852119.db2.gz VTXPIPCYSVDVPC-UHFFFAOYSA-N 1 0 385.295 2.213 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)c1cccc(Cl)c1Cl ZINC000673032503 652853428 /nfs/dbraw/zinc/85/34/28/652853428.db2.gz YYYYHELOGUPMEZ-MJVIPROJSA-N 1 0 388.295 2.006 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2ncc(Br)cn2n1 ZINC000637394882 652854742 /nfs/dbraw/zinc/85/47/42/652854742.db2.gz IBURYHVNTXZXGN-GXTWGEPZSA-N 1 0 378.274 2.239 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc(Br)cnc2OC)C1 ZINC000637406996 652856545 /nfs/dbraw/zinc/85/65/45/652856545.db2.gz ODWDIHKMPZOXPD-LBPRGKRZSA-N 1 0 385.306 2.336 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NC[C@H]1CC[C@@H](CO)O1)c1ccc(Cl)c(Cl)c1 ZINC000637471623 652861635 /nfs/dbraw/zinc/86/16/35/652861635.db2.gz AJMBVHJWCZFLMQ-WWGRRREGSA-N 1 0 390.311 2.435 20 0 GEADRO CC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C(=O)NC ZINC000637474793 652862793 /nfs/dbraw/zinc/86/27/93/652862793.db2.gz RHHQKCOOCDBGKT-ZIAGYGMSSA-N 1 0 375.300 2.420 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NC[C@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000637475384 652863156 /nfs/dbraw/zinc/86/31/56/652863156.db2.gz VNYKQBHAESGBSQ-GOEBONIOSA-N 1 0 376.284 2.047 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000673484179 652865459 /nfs/dbraw/zinc/86/54/59/652865459.db2.gz MUDOLSXOCUBRBM-KRWDZBQOSA-N 1 0 396.260 2.256 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000766092657 652866750 /nfs/dbraw/zinc/86/67/50/652866750.db2.gz MMMKIJPNSWLOPV-LBPRGKRZSA-N 1 0 380.286 2.276 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000766092704 652866955 /nfs/dbraw/zinc/86/69/55/652866955.db2.gz GZCHWQUVBLKDFI-WBMJQRKESA-N 1 0 392.297 2.419 20 0 GEADRO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673530918 652867905 /nfs/dbraw/zinc/86/79/05/652867905.db2.gz LBYOVWHEYKBLNK-CQSZACIVSA-N 1 0 394.313 2.285 20 0 GEADRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H]1C ZINC000599445765 652872446 /nfs/dbraw/zinc/87/24/46/652872446.db2.gz QVQMOMANANECKK-YVLXSGLVSA-N 1 0 381.270 2.443 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC000673611153 652873425 /nfs/dbraw/zinc/87/34/25/652873425.db2.gz QBDLPXILOGXGBO-CQSZACIVSA-N 1 0 382.917 2.249 20 0 GEADRO CCOc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000673614296 652873470 /nfs/dbraw/zinc/87/34/70/652873470.db2.gz HNGGBXQOGQICIN-OAHLLOKOSA-N 1 0 381.523 2.485 20 0 GEADRO COc1ccccc1[C@H]([NH3+])CNC(=O)COc1ccc(Br)cn1 ZINC000637803276 652873681 /nfs/dbraw/zinc/87/36/81/652873681.db2.gz CCIUSNGFDNUBBC-CYBMUJFWSA-N 1 0 380.242 2.048 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000673645974 652874486 /nfs/dbraw/zinc/87/44/86/652874486.db2.gz PYEIWFCVTWRJOB-VXGBXAGGSA-N 1 0 375.357 2.213 20 0 GEADRO Cc1nc(-c2ccc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)s2)cs1 ZINC000637820583 652874628 /nfs/dbraw/zinc/87/46/28/652874628.db2.gz DUKNPPPRTMHDLQ-LBPRGKRZSA-N 1 0 378.523 2.107 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)[N@@H+]1CCCC[C@@H]1C ZINC000766308894 652874983 /nfs/dbraw/zinc/87/49/83/652874983.db2.gz HMFUPUDOXCVFDZ-NWDGAFQWSA-N 1 0 383.290 2.162 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000637846874 652875149 /nfs/dbraw/zinc/87/51/49/652875149.db2.gz ZARCDYGAGSKARF-UHOFOFEASA-N 1 0 394.313 2.136 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637848184 652875601 /nfs/dbraw/zinc/87/56/01/652875601.db2.gz ROMFJDWTNZAHBI-LSDHHAIUSA-N 1 0 382.302 2.040 20 0 GEADRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000599541664 652877114 /nfs/dbraw/zinc/87/71/14/652877114.db2.gz LRPOFGXWPHBTKN-SECBINFHSA-N 1 0 393.228 2.399 20 0 GEADRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000637914873 652877723 /nfs/dbraw/zinc/87/77/23/652877723.db2.gz VCRUZRORNVTJIA-CYBMUJFWSA-N 1 0 392.301 2.230 20 0 GEADRO CCOc1cc(Br)c(NC(=O)CN2CC[NH2+]CC2)cc1OCC ZINC000637942981 652878399 /nfs/dbraw/zinc/87/83/99/652878399.db2.gz CEAFRDNZCGIUAP-UHFFFAOYSA-N 1 0 386.290 2.090 20 0 GEADRO [NH3+]C[C@]1(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CCCOC1 ZINC000637960770 652879324 /nfs/dbraw/zinc/87/93/24/652879324.db2.gz SQTIWUJIQVIILP-NVXWUHKLSA-N 1 0 383.286 2.105 20 0 GEADRO Cc1ccc(I)cc1NC(=O)N(C)CCOCC[NH3+] ZINC000599603024 652879474 /nfs/dbraw/zinc/87/94/74/652879474.db2.gz CTSVSRROEVEWPG-UHFFFAOYSA-N 1 0 377.226 2.039 20 0 GEADRO CN(CCOCC[NH3+])C(=O)Nc1ccc(Cl)cc1I ZINC000599601488 652879637 /nfs/dbraw/zinc/87/96/37/652879637.db2.gz VVFVHEACCRSVAI-UHFFFAOYSA-N 1 0 397.644 2.384 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]([NH3+])CCC(C)C)s1 ZINC000637979014 652880241 /nfs/dbraw/zinc/88/02/41/652880241.db2.gz CFKDJXARWQZRHQ-OAHLLOKOSA-N 1 0 389.587 2.201 20 0 GEADRO CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000638073211 652883635 /nfs/dbraw/zinc/88/36/35/652883635.db2.gz MHDPKGDXZWPYDU-NEPJUHHUSA-N 1 0 383.290 2.019 20 0 GEADRO NS(=O)(=O)c1ccc(CNc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000638239248 652884127 /nfs/dbraw/zinc/88/41/27/652884127.db2.gz LRDYCTAGSDFRPM-UHFFFAOYSA-N 1 0 377.535 2.495 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1C ZINC000766518802 652884125 /nfs/dbraw/zinc/88/41/25/652884125.db2.gz UCRYNFIAGRRTLC-AAEUAGOBSA-N 1 0 383.290 2.114 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CC12CCOCC2 ZINC000638260920 652884775 /nfs/dbraw/zinc/88/47/75/652884775.db2.gz CXLLNDJHGDAPMU-LLVKDONJSA-N 1 0 393.285 2.153 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)C3=CC[C@@H]([NH3+])C3)C2=O)ccc1Br ZINC000638301435 652885379 /nfs/dbraw/zinc/88/53/79/652885379.db2.gz UKCJZEJBGYJNLI-DOMZBBRYSA-N 1 0 378.270 2.027 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3c(F)cncc3Br)CC2)C1 ZINC000638346624 652886438 /nfs/dbraw/zinc/88/64/38/652886438.db2.gz KLDNXLYOZSLWEO-SMDDNHRTSA-N 1 0 386.265 2.342 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638362299 652886958 /nfs/dbraw/zinc/88/69/58/652886958.db2.gz YSODKDOYJXGJMP-UHFFFAOYSA-N 1 0 390.303 2.352 20 0 GEADRO COc1ncc(C[NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 ZINC000638347690 652887077 /nfs/dbraw/zinc/88/70/77/652887077.db2.gz VFNLEKKHQXUINQ-UHFFFAOYSA-N 1 0 381.523 2.403 20 0 GEADRO CCSc1ccc(CC(=O)N2CCC(O)(C[NH3+])CC2)c(Br)c1 ZINC000638354597 652887084 /nfs/dbraw/zinc/88/70/84/652887084.db2.gz QPKNQQUYWKJYKY-UHFFFAOYSA-N 1 0 387.343 2.416 20 0 GEADRO COc1nsc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1Br ZINC000638379919 652887480 /nfs/dbraw/zinc/88/74/80/652887480.db2.gz RBTXJMXUTCRPTL-JTQLQIEISA-N 1 0 384.303 2.463 20 0 GEADRO Brc1cnc2c(C[NH2+][C@H]3CCCN(c4ncccn4)C3)cnn2c1 ZINC000638380219 652887675 /nfs/dbraw/zinc/88/76/75/652887675.db2.gz WSNHCGWRZSFYSD-AWEZNQCLSA-N 1 0 388.273 2.040 20 0 GEADRO CSc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1Br ZINC000638467880 652890338 /nfs/dbraw/zinc/89/03/38/652890338.db2.gz ORWGFDCAHTYJQO-GFCCVEGCSA-N 1 0 386.315 2.368 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000638488094 652890720 /nfs/dbraw/zinc/89/07/20/652890720.db2.gz CIPGSQBFRIADES-CYBMUJFWSA-N 1 0 378.523 2.456 20 0 GEADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cc(Cl)c(Br)cc1F ZINC000638477754 652890872 /nfs/dbraw/zinc/89/08/72/652890872.db2.gz WLXSROKEOOUGFK-NSHDSACASA-N 1 0 392.656 2.438 20 0 GEADRO COCCC[NH+]1CCC(NCc2cnn3cc(Br)cnc23)CC1 ZINC000638480989 652890928 /nfs/dbraw/zinc/89/09/28/652890928.db2.gz CRLDENAATAYJMA-UHFFFAOYSA-N 1 0 382.306 2.082 20 0 GEADRO C[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)C(=O)N1CCCC[C@@H]1C ZINC000638490217 652891296 /nfs/dbraw/zinc/89/12/96/652891296.db2.gz VLQJZFQUJMXKIF-NWDGAFQWSA-N 1 0 380.290 2.371 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1 ZINC000638501997 652891338 /nfs/dbraw/zinc/89/13/38/652891338.db2.gz ZDXLAEWHYFGMLY-HZPDHXFCSA-N 1 0 394.313 2.417 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000638499926 652891368 /nfs/dbraw/zinc/89/13/68/652891368.db2.gz LWIOSUVDPGGXLO-IUODEOHRSA-N 1 0 392.297 2.203 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1ccc(I)cc1 ZINC000599922351 652892497 /nfs/dbraw/zinc/89/24/97/652892497.db2.gz LCDJLQLNCRUDGH-UONOGXRCSA-N 1 0 387.265 2.273 20 0 GEADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638532056 652892857 /nfs/dbraw/zinc/89/28/57/652892857.db2.gz JHDFQGLYTUQXSS-ZFWWWQNUSA-N 1 0 383.286 2.500 20 0 GEADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000638533501 652892931 /nfs/dbraw/zinc/89/29/31/652892931.db2.gz RDPRTNKEKKXZMB-CABCVRRESA-N 1 0 384.318 2.400 20 0 GEADRO Cc1sc2ncnc(SCCC(=O)NCC3([NH3+])CCOCC3)c2c1C ZINC000638537313 652893417 /nfs/dbraw/zinc/89/34/17/652893417.db2.gz NQCHZERXPZJKCA-UHFFFAOYSA-N 1 0 380.539 2.414 20 0 GEADRO CCN(CC[NH3+])C(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000599944961 652893800 /nfs/dbraw/zinc/89/38/00/652893800.db2.gz XLODYIBDADSQII-UHFFFAOYSA-N 1 0 378.325 2.150 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)CC[C@@H]1C(F)(F)F ZINC000638554397 652894387 /nfs/dbraw/zinc/89/43/87/652894387.db2.gz DZSGKZRNZWVQOO-TUAOUCFPSA-N 1 0 375.357 2.246 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000638561290 652894871 /nfs/dbraw/zinc/89/48/71/652894871.db2.gz QSWBRTGAJIZGID-UHFFFAOYSA-N 1 0 382.283 2.490 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000638560548 652894908 /nfs/dbraw/zinc/89/49/08/652894908.db2.gz MDBFFFLMTKOLEB-UHFFFAOYSA-N 1 0 390.281 2.471 20 0 GEADRO N[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1Br ZINC000638563754 652895170 /nfs/dbraw/zinc/89/51/70/652895170.db2.gz QCPKWGZGYRCIPR-CDMKHQONSA-N 1 0 394.235 2.435 20 0 GEADRO COc1cccc([C@H]([NH3+])C(=O)NCc2cc(Br)cnc2OC)c1 ZINC000638561956 652895224 /nfs/dbraw/zinc/89/52/24/652895224.db2.gz VVLYYKCSMFKXML-AWEZNQCLSA-N 1 0 380.242 2.178 20 0 GEADRO N[C@@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1Br ZINC000638563758 652895409 /nfs/dbraw/zinc/89/54/09/652895409.db2.gz QCPKWGZGYRCIPR-SUZMYJTESA-N 1 0 394.235 2.435 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000638567371 652895477 /nfs/dbraw/zinc/89/54/77/652895477.db2.gz AJJRKYOQXFGMGW-ARFHVFGLSA-N 1 0 396.329 2.460 20 0 GEADRO N[C@@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1Br ZINC000638563756 652895490 /nfs/dbraw/zinc/89/54/90/652895490.db2.gz QCPKWGZGYRCIPR-IRUJWGPZSA-N 1 0 394.235 2.435 20 0 GEADRO O=C(CN1CC[NH2+]CC1)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000638586205 652896425 /nfs/dbraw/zinc/89/64/25/652896425.db2.gz PIIAYBPFMBBBJF-CQSZACIVSA-N 1 0 384.343 2.398 20 0 GEADRO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638595875 652897227 /nfs/dbraw/zinc/89/72/27/652897227.db2.gz LDXOPMKKSXOJFD-IUODEOHRSA-N 1 0 380.286 2.060 20 0 GEADRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000638597654 652897943 /nfs/dbraw/zinc/89/79/43/652897943.db2.gz IORHGPBTXCRUBJ-SWLSCSKDSA-N 1 0 382.302 2.216 20 0 GEADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638614126 652898729 /nfs/dbraw/zinc/89/87/29/652898729.db2.gz QWNBKJDDRHGZAE-CYBMUJFWSA-N 1 0 380.901 2.031 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)c1csc(-c2cc(Br)cs2)n1 ZINC000638617557 652899284 /nfs/dbraw/zinc/89/92/84/652899284.db2.gz IXJIHMYHDVGPGS-SECBINFHSA-N 1 0 388.312 2.352 20 0 GEADRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)CCN1CCCS1(=O)=O ZINC000674462165 652899669 /nfs/dbraw/zinc/89/96/69/652899669.db2.gz OHHODGHLUYCPGM-UHFFFAOYSA-N 1 0 380.432 2.442 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000600043556 652900261 /nfs/dbraw/zinc/90/02/61/652900261.db2.gz HMVSNRQTOHHVAM-XJKSGUPXSA-N 1 0 396.329 2.271 20 0 GEADRO CN(CCOCC[NH3+])C(=O)c1cc(Br)ccc1Br ZINC000638670653 652902095 /nfs/dbraw/zinc/90/20/95/652902095.db2.gz OGGRYVQSLKLEMG-UHFFFAOYSA-N 1 0 380.080 2.259 20 0 GEADRO CN(CCOCC[NH3+])C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000638677550 652902158 /nfs/dbraw/zinc/90/21/58/652902158.db2.gz BQJGEWXWYKXFOV-OAHLLOKOSA-N 1 0 388.295 2.032 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCCOCCC[NH3+] ZINC000638662393 652902181 /nfs/dbraw/zinc/90/21/81/652902181.db2.gz VUFUHVZHGAUWDS-UHFFFAOYSA-N 1 0 381.274 2.038 20 0 GEADRO CCCOc1c(Br)cc(C(=O)N(C)CCOCC[NH3+])cc1OC ZINC000638679423 652902583 /nfs/dbraw/zinc/90/25/83/652902583.db2.gz MBSWNXBRJZBZRV-UHFFFAOYSA-N 1 0 389.290 2.294 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(S(N)(=O)=O)s1 ZINC000638719806 652904050 /nfs/dbraw/zinc/90/40/50/652904050.db2.gz QDRKTMZFJDERNO-WMLDXEAASA-N 1 0 379.551 2.396 20 0 GEADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)o1)Oc1ccccc1Br ZINC000638732186 652904667 /nfs/dbraw/zinc/90/46/67/652904667.db2.gz BMYRWLOZSPNMDG-SNVBAGLBSA-N 1 0 389.271 2.247 20 0 GEADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)o1)Oc1ccccc1Br ZINC000638732185 652904728 /nfs/dbraw/zinc/90/47/28/652904728.db2.gz BMYRWLOZSPNMDG-JTQLQIEISA-N 1 0 389.271 2.247 20 0 GEADRO CN(Cc1ccc(Br)cc1F)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000638829790 652907923 /nfs/dbraw/zinc/90/79/23/652907923.db2.gz ZMCFELSUOVQOEA-ZDUSSCGKSA-N 1 0 396.264 2.204 20 0 GEADRO C[N@H+](Cc1ccc(OCC(N)=O)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000767043456 652908776 /nfs/dbraw/zinc/90/87/76/652908776.db2.gz JRJLQLYNXVADAM-QGZVFWFLSA-N 1 0 393.281 2.479 20 0 GEADRO [NH3+]C1(CC(=O)NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000638854367 652909546 /nfs/dbraw/zinc/90/95/46/652909546.db2.gz SMOGOQWJKJSPBC-UHFFFAOYSA-N 1 0 395.301 2.443 20 0 GEADRO CN1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638842458 652909628 /nfs/dbraw/zinc/90/96/28/652909628.db2.gz RRBKRWXHCDQZCF-SJORKVTESA-N 1 0 396.329 2.033 20 0 GEADRO COc1cc(S(=O)(=O)N(C)CCCC[NH+](C)C)ccc1Br ZINC000674716715 652910094 /nfs/dbraw/zinc/91/00/94/652910094.db2.gz PNAHOHVEIZKVNW-UHFFFAOYSA-N 1 0 379.320 2.420 20 0 GEADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000639026956 652916235 /nfs/dbraw/zinc/91/62/35/652916235.db2.gz PETAKVVMTVJZLK-AVGNSLFASA-N 1 0 380.286 2.188 20 0 GEADRO CCN(Cc1ccc(S(N)(=O)=O)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000639048510 652917545 /nfs/dbraw/zinc/91/75/45/652917545.db2.gz SJZOELLCSREACA-INIZCTEOSA-N 1 0 379.551 2.492 20 0 GEADRO COC[C@@H]1CCCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639054081 652917666 /nfs/dbraw/zinc/91/76/66/652917666.db2.gz RCXZEGPUUOAWKL-CYBMUJFWSA-N 1 0 391.331 2.345 20 0 GEADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cnc(N)nc1N ZINC000639058609 652918091 /nfs/dbraw/zinc/91/80/91/652918091.db2.gz QVABZSWRIRIHQG-HNNXBMFYSA-N 1 0 394.317 2.192 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)Cn2cc(Br)ccc2=O)c2ccccc21 ZINC000639072010 652918923 /nfs/dbraw/zinc/91/89/23/652918923.db2.gz VGKKLLHSPCQUDM-LBPRGKRZSA-N 1 0 376.254 2.090 20 0 GEADRO CO[C@]1(C[N@H+](CCNC(C)=O)Cc2ccc(Br)s2)CCOC1 ZINC000639139086 652921986 /nfs/dbraw/zinc/92/19/86/652921986.db2.gz FEZPIQZHYJWDCH-HNNXBMFYSA-N 1 0 391.331 2.254 20 0 GEADRO COc1nsc(CN(C)CCC[N@H+](C)CCN(C)C)c1Br ZINC000639185800 652926468 /nfs/dbraw/zinc/92/64/68/652926468.db2.gz FBUIXIKPAYTXMF-UHFFFAOYSA-N 1 0 379.368 2.230 20 0 GEADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639165022 652924816 /nfs/dbraw/zinc/92/48/16/652924816.db2.gz AIRIXRVTRHVNPE-AWEZNQCLSA-N 1 0 380.290 2.373 20 0 GEADRO CO[C@@H](C[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br)C1CC1 ZINC000639166372 652924864 /nfs/dbraw/zinc/92/48/64/652924864.db2.gz IURSCHCQCRDUIJ-AWEZNQCLSA-N 1 0 391.331 2.050 20 0 GEADRO C[NH+](C)CCN(Cc1cnn2cc(Br)cnc12)C[C@H]1CCCO1 ZINC000639171243 652925099 /nfs/dbraw/zinc/92/50/99/652925099.db2.gz VBHZQWNVKBZKAC-OAHLLOKOSA-N 1 0 382.306 2.034 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccncc2Br)cc1O ZINC000639174023 652925345 /nfs/dbraw/zinc/92/53/45/652925345.db2.gz MQUCDIMCONGBMZ-ZDUSSCGKSA-N 1 0 381.270 2.499 20 0 GEADRO C[NH+](C)CCN(CCCc1ccccc1)Cc1ccc(S(N)(=O)=O)s1 ZINC000639171786 652925705 /nfs/dbraw/zinc/92/57/05/652925705.db2.gz ZXFLTQNLUARELK-UHFFFAOYSA-N 1 0 381.567 2.392 20 0 GEADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1Cl ZINC000639198340 652927007 /nfs/dbraw/zinc/92/70/07/652927007.db2.gz PNJOFJDVADRFQB-GOSISDBHSA-N 1 0 380.897 2.123 20 0 GEADRO CO[C@H](C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)[C@H]1CCOC1 ZINC000639237507 652927378 /nfs/dbraw/zinc/92/73/78/652927378.db2.gz IENGFPPBGIPCJE-JKIFEVAISA-N 1 0 390.293 2.380 20 0 GEADRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cn1 ZINC000639237388 652927497 /nfs/dbraw/zinc/92/74/97/652927497.db2.gz DKHQBIGEWQWILO-SNVBAGLBSA-N 1 0 387.303 2.164 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)s1 ZINC000675466817 652927832 /nfs/dbraw/zinc/92/78/32/652927832.db2.gz LHRUXFJWTNUNSL-CYBMUJFWSA-N 1 0 387.571 2.440 20 0 GEADRO COCC[N@@H+]1CCN(Cc2cnn3cc(Br)cnc23)C(C)(C)C1 ZINC000639296419 652930957 /nfs/dbraw/zinc/93/09/57/652930957.db2.gz RIXWNCOKGNTICQ-UHFFFAOYSA-N 1 0 382.306 2.034 20 0 GEADRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)CC1=O ZINC000639327286 652932331 /nfs/dbraw/zinc/93/23/31/652932331.db2.gz ITHMXGKDXUGJEX-LLVKDONJSA-N 1 0 380.290 2.228 20 0 GEADRO COc1nsc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1Br ZINC000639335987 652932974 /nfs/dbraw/zinc/93/29/74/652932974.db2.gz ZGAYNVVTBWYYOI-NSHDSACASA-N 1 0 378.336 2.457 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(Cc2cnn3cc(Br)cnc23)CCO1 ZINC000639335906 652933280 /nfs/dbraw/zinc/93/32/80/652933280.db2.gz YQRLOLNGWGWLCJ-OAHLLOKOSA-N 1 0 382.306 2.034 20 0 GEADRO CN1CC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639355377 652933920 /nfs/dbraw/zinc/93/39/20/652933920.db2.gz SWSYYCGOGDKPRV-RCCFBDPRSA-N 1 0 382.346 2.241 20 0 GEADRO C[C@@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000639380813 652935640 /nfs/dbraw/zinc/93/56/40/652935640.db2.gz IAKUFULWVNCNQS-FZMZJTMJSA-N 1 0 376.404 2.178 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639505386 652939279 /nfs/dbraw/zinc/93/92/79/652939279.db2.gz NLQDJVFHWBQAPP-HOTGVXAUSA-N 1 0 377.312 2.122 20 0 GEADRO CN(CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F)S(C)(=O)=O ZINC000675745608 652939275 /nfs/dbraw/zinc/93/92/75/652939275.db2.gz UMXKGUZMGULLSK-CQSZACIVSA-N 1 0 379.295 2.447 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)cc1Br ZINC000675745620 652939437 /nfs/dbraw/zinc/93/94/37/652939437.db2.gz USFMJFKOXMSZCR-LLVKDONJSA-N 1 0 379.320 2.390 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCN(C)S(C)(=O)=O ZINC000675745662 652939454 /nfs/dbraw/zinc/93/94/54/652939454.db2.gz VWUZKEYLLCYNIF-LLVKDONJSA-N 1 0 381.311 2.390 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)s2)cs1 ZINC000600906479 652939555 /nfs/dbraw/zinc/93/95/55/652939555.db2.gz YHHWHMUMTQWDHA-CYBMUJFWSA-N 1 0 379.555 2.225 20 0 GEADRO Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000675886565 652946377 /nfs/dbraw/zinc/94/63/77/652946377.db2.gz SODHSYUVZAVZTL-HKUYNNGSSA-N 1 0 394.357 2.433 20 0 GEADRO C[C@@](CO)([NH2+]C[C@H](O)CC1(O)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000639665456 652946930 /nfs/dbraw/zinc/94/69/30/652946930.db2.gz LHGBCHJAJJZMSI-CVEARBPZSA-N 1 0 378.296 2.083 20 0 GEADRO C[NH+](C)CCCNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000675946952 652947563 /nfs/dbraw/zinc/94/75/63/652947563.db2.gz AIJUHXPVHWOJRT-UHFFFAOYSA-N 1 0 383.334 2.228 20 0 GEADRO C[C@](CO)([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000639665459 652947865 /nfs/dbraw/zinc/94/78/65/652947865.db2.gz LHGBCHJAJJZMSI-JKSUJKDBSA-N 1 0 378.296 2.083 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764579 652952542 /nfs/dbraw/zinc/95/25/42/652952542.db2.gz HCNZQUNVSHWQIN-SUMWQHHRSA-N 1 0 384.318 2.165 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000639766491 652952676 /nfs/dbraw/zinc/95/26/76/652952676.db2.gz PZZMYSVVUJKEBH-RHSMWYFYSA-N 1 0 377.312 2.122 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765310 652952694 /nfs/dbraw/zinc/95/26/94/652952694.db2.gz IILBYMRFSAGZSP-QGZVFWFLSA-N 1 0 381.318 2.224 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000639764602 652952703 /nfs/dbraw/zinc/95/27/03/652952703.db2.gz HLWVBEQAPDQVDL-WMLDXEAASA-N 1 0 377.312 2.122 20 0 GEADRO O=C(C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1)Nc1ccc(Br)cn1 ZINC000639767867 652953128 /nfs/dbraw/zinc/95/31/28/652953128.db2.gz OUQGAAJDCIQCLR-XJKSGUPXSA-N 1 0 398.301 2.082 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(OC)ccc2Br)C1 ZINC000676111778 652954263 /nfs/dbraw/zinc/95/42/63/652954263.db2.gz VPTDTMKVCUSELY-CQSZACIVSA-N 1 0 385.302 2.227 20 0 GEADRO Brc1cncc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)c1 ZINC000639775717 652954588 /nfs/dbraw/zinc/95/45/88/652954588.db2.gz NEETXYMTVGOUDW-MRXNPFEDSA-N 1 0 386.359 2.484 20 0 GEADRO C[C@@H]1CN(CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)C[C@@H](C)O1 ZINC000639776343 652955544 /nfs/dbraw/zinc/95/55/44/652955544.db2.gz MAVZTLWCWDEODF-IIAWOOMASA-N 1 0 384.318 2.406 20 0 GEADRO O=C(CCn1cc(Br)cn1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000676185994 652956336 /nfs/dbraw/zinc/95/63/36/652956336.db2.gz BHVWHDFMAGIVPS-INIZCTEOSA-N 1 0 399.333 2.139 20 0 GEADRO Nc1nnc([C@H]2CCC[N@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)o1 ZINC000639820078 652956733 /nfs/dbraw/zinc/95/67/33/652956733.db2.gz MXUHHGJGGCHWDJ-GXFFZTMASA-N 1 0 387.267 2.578 20 0 GEADRO O=S1(=O)CCC(O)(C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000767873142 652957414 /nfs/dbraw/zinc/95/74/14/652957414.db2.gz AIYXPPVYPKOYCU-AWEZNQCLSA-N 1 0 377.428 2.434 20 0 GEADRO OC[C@]1([NH2+]C[C@H]2CCc3ncnn32)CCc2cc(Br)ccc2C1 ZINC000639890578 653087587 /nfs/dbraw/zinc/08/75/87/653087587.db2.gz VLCOUBQYRMFSFU-WBVHZDCISA-N 1 0 377.286 2.038 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000639916329 653088414 /nfs/dbraw/zinc/08/84/14/653088414.db2.gz MDJYDUIIAIQVLQ-MLGOLLRUSA-N 1 0 378.897 2.164 20 0 GEADRO C[C@H](CN(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1)CS(C)(=O)=O ZINC000639918211 653088496 /nfs/dbraw/zinc/08/84/96/653088496.db2.gz LEQHDHQIZFYKTM-BXUZGUMPSA-N 1 0 384.325 2.346 20 0 GEADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000601428983 653094294 /nfs/dbraw/zinc/09/42/94/653094294.db2.gz QEBNBUGBZSAAIP-UHFFFAOYSA-N 1 0 392.880 2.371 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000601450484 653096107 /nfs/dbraw/zinc/09/61/07/653096107.db2.gz ZTTRPBBKQAWQRR-UHFFFAOYSA-N 1 0 381.281 2.153 20 0 GEADRO C[C@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000601459379 653097349 /nfs/dbraw/zinc/09/73/49/653097349.db2.gz BDJROSWZRDKCKB-SOUVJXGZSA-N 1 0 376.563 2.250 20 0 GEADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccn2c(I)cnc12 ZINC000771409129 653110671 /nfs/dbraw/zinc/11/06/71/653110671.db2.gz XJACNFGUZLDOJG-WDEREUQCSA-N 1 0 398.248 2.104 20 0 GEADRO O=C(Cc1ccc(I)cc1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601551365 653110903 /nfs/dbraw/zinc/11/09/03/653110903.db2.gz HCZYEOPYLCJPBX-HIFRSBDPSA-N 1 0 384.261 2.434 20 0 GEADRO COC(=O)c1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Br)c1F ZINC000601556806 653110990 /nfs/dbraw/zinc/11/09/90/653110990.db2.gz GVPRITVYILJAAX-DTORHVGOSA-N 1 0 386.221 2.343 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000677311569 653120872 /nfs/dbraw/zinc/12/08/72/653120872.db2.gz NWXUWFXLXUEFBK-OAHLLOKOSA-N 1 0 390.908 2.496 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640382992 653122939 /nfs/dbraw/zinc/12/29/39/653122939.db2.gz DGVQWVNTKBWJGD-QMMMGPOBSA-N 1 0 387.378 3.044 20 0 GEADRO O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)NC1CC[NH+](C2CC2)CC1 ZINC000640384014 653123843 /nfs/dbraw/zinc/12/38/43/653123843.db2.gz WJEWPTDUEKTEHS-UHFFFAOYSA-N 1 0 385.362 2.941 20 0 GEADRO C[NH+]1CCC(n2cc(NC(=O)c3cc(I)c[nH]3)cn2)CC1 ZINC000601772096 653125930 /nfs/dbraw/zinc/12/59/30/653125930.db2.gz IJSLSHWKNPZRBF-UHFFFAOYSA-N 1 0 399.236 2.335 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)C1 ZINC000805637520 653126148 /nfs/dbraw/zinc/12/61/48/653126148.db2.gz SNNVTTYXJSISFY-CHWSQXEVSA-N 1 0 378.344 2.313 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000771805146 653127459 /nfs/dbraw/zinc/12/74/59/653127459.db2.gz YENVRUIOGBIBTA-MRXNPFEDSA-N 1 0 385.302 2.037 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(OC)c1 ZINC000678237947 653130100 /nfs/dbraw/zinc/13/01/00/653130100.db2.gz NIMWZMUKQNEAGT-IAGOWNOFSA-N 1 0 399.329 2.497 20 0 GEADRO COc1sc(C[NH2+]CCCN2CCCS2(=O)=O)cc1Br ZINC000678932393 653134409 /nfs/dbraw/zinc/13/44/09/653134409.db2.gz UZVSHEZJEAIKTJ-UHFFFAOYSA-N 1 0 383.333 2.034 20 0 GEADRO O=C(Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1)Nc1ccccc1Br ZINC000640770757 653137427 /nfs/dbraw/zinc/13/74/27/653137427.db2.gz UPZDPBRHMPPTOY-LBPRGKRZSA-N 1 0 378.274 2.221 20 0 GEADRO O=C(Cn1cc(C[C@H]2CCC[NH2+]C2)nn1)Nc1ccccc1Br ZINC000640770756 653137596 /nfs/dbraw/zinc/13/75/96/653137596.db2.gz UPZDPBRHMPPTOY-GFCCVEGCSA-N 1 0 378.274 2.221 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)n1C ZINC000602009673 653137982 /nfs/dbraw/zinc/13/79/82/653137982.db2.gz ZUZBRWLNJQVFFE-UHFFFAOYSA-N 1 0 394.269 2.094 20 0 GEADRO C[C@H]1CCCCN1C(=O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640795014 653139145 /nfs/dbraw/zinc/13/91/45/653139145.db2.gz ZMDDNQSUOSAKHI-SJCJKPOMSA-N 1 0 392.301 2.490 20 0 GEADRO CC(C)(C)[C@@H]([NH3+])c1cn(Cc2cc(=O)n3cc(Br)ccc3n2)nn1 ZINC000640796096 653139390 /nfs/dbraw/zinc/13/93/90/653139390.db2.gz MBRRFJUASYNHIS-HNNXBMFYSA-N 1 0 391.273 2.143 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640801714 653139881 /nfs/dbraw/zinc/13/98/81/653139881.db2.gz XNVXLVKBHKDBFD-RYUDHWBXSA-N 1 0 378.274 2.392 20 0 GEADRO O=C(NC[C@@H]1CC1(Cl)Cl)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769016597 653141090 /nfs/dbraw/zinc/14/10/90/653141090.db2.gz NZIWXUJPLUGYDI-OWCLPIDISA-N 1 0 386.323 2.362 20 0 GEADRO COCC[NH2+]CCc1cn([C@@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640902233 653145556 /nfs/dbraw/zinc/14/55/56/653145556.db2.gz YAKIEEITGHQDLU-LBPRGKRZSA-N 1 0 396.289 2.019 20 0 GEADRO Brc1csc(-c2noc(Cn3cc(C[NH2+]C4CC4)nn3)n2)c1 ZINC000640993568 653149642 /nfs/dbraw/zinc/14/96/42/653149642.db2.gz BVRZYCNIOHSWAU-UHFFFAOYSA-N 1 0 381.259 2.452 20 0 GEADRO [NH3+]CCOCc1cn(Cc2cc(Br)ccc2OC(F)F)nn1 ZINC000641009111 653150039 /nfs/dbraw/zinc/15/00/39/653150039.db2.gz IBBRRXBQWYOLKU-UHFFFAOYSA-N 1 0 377.189 2.166 20 0 GEADRO Cn1nnnc1CC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000772467059 653151051 /nfs/dbraw/zinc/15/10/51/653151051.db2.gz OCUNGUNCRNNFOF-INIZCTEOSA-N 1 0 387.285 2.484 20 0 GEADRO C[NH2+][C@H](C)c1cn(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)nn1 ZINC000641027802 653151277 /nfs/dbraw/zinc/15/12/77/653151277.db2.gz OWXSHAPSMPVYCO-LLVKDONJSA-N 1 0 377.495 2.134 20 0 GEADRO C[C@H](c1ccc(Br)cc1)n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000641041687 653152263 /nfs/dbraw/zinc/15/22/63/653152263.db2.gz KKAGSBUWVWVVIR-GFCCVEGCSA-N 1 0 392.301 2.266 20 0 GEADRO CC[NH2+]Cc1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641043645 653152782 /nfs/dbraw/zinc/15/27/82/653152782.db2.gz VTYMANGKWLFKAM-UHFFFAOYSA-N 1 0 377.246 2.172 20 0 GEADRO Clc1ccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)c(Br)c1 ZINC000641046273 653152820 /nfs/dbraw/zinc/15/28/20/653152820.db2.gz JAMHILHMPZDBRW-UHFFFAOYSA-N 1 0 384.709 2.190 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000769402442 653153051 /nfs/dbraw/zinc/15/30/51/653153051.db2.gz JBIAFNZRHDHEME-LBPRGKRZSA-N 1 0 388.946 2.326 20 0 GEADRO Cn1ccnc1[C@](O)(CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C(F)(F)F ZINC000806134042 653153381 /nfs/dbraw/zinc/15/33/81/653153381.db2.gz UDZMSOLXUABJND-CKYFFXLPSA-N 1 0 375.313 2.260 20 0 GEADRO [NH3+][C@@H](c1cn(CCOC[C@@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000641060065 653153675 /nfs/dbraw/zinc/15/36/75/653153675.db2.gz DJHLKQLMKYKVRI-GOEBONIOSA-N 1 0 381.274 2.284 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1)C(F)(F)F ZINC000806138825 653153840 /nfs/dbraw/zinc/15/38/40/653153840.db2.gz CITHRVFLCKXFIQ-QWRGUYRKSA-N 1 0 398.369 2.248 20 0 GEADRO [NH3+]CCCCc1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641103396 653156226 /nfs/dbraw/zinc/15/62/26/653156226.db2.gz BTMMSKMBAODXQJ-HNNXBMFYSA-N 1 0 378.274 2.300 20 0 GEADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cnc(Cl)n1C ZINC000769429052 653156223 /nfs/dbraw/zinc/15/62/23/653156223.db2.gz JGJDQZUJBAZRHH-OAHLLOKOSA-N 1 0 382.917 2.216 20 0 GEADRO C[NH+](C)CCc1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641106065 653157292 /nfs/dbraw/zinc/15/72/92/653157292.db2.gz ZWJNULZGAQFDBO-HNNXBMFYSA-N 1 0 378.274 2.123 20 0 GEADRO COC[C@@H]([NH3+])Cc1cn([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nn1 ZINC000641106816 653157300 /nfs/dbraw/zinc/15/73/00/653157300.db2.gz BBEQSGQUTCCIOH-XHDPSFHLSA-N 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O=S(=O)(CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)N1CCOCC1 ZINC000772948289 653173274 /nfs/dbraw/zinc/17/32/74/653173274.db2.gz VZSASMRLKDBNQQ-AWEZNQCLSA-N 1 0 379.309 2.232 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)NCCC[NH+](C)C)C2=O)ccc1Br ZINC000680942422 653174836 /nfs/dbraw/zinc/17/48/36/653174836.db2.gz NAXJPUCKJBMWLH-HNNXBMFYSA-N 1 0 397.317 2.114 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@@H](CC)c1ccc(I)cc1 ZINC000772965565 653175247 /nfs/dbraw/zinc/17/52/47/653175247.db2.gz QDZQOXFXASPNQR-ZDUSSCGKSA-N 1 0 396.294 2.271 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000772978369 653175528 /nfs/dbraw/zinc/17/55/28/653175528.db2.gz MOPLQIVQPOBRLU-ZDUSSCGKSA-N 1 0 377.304 2.192 20 0 GEADRO COc1cc(CS(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)sn1 ZINC000641270595 653176147 /nfs/dbraw/zinc/17/61/47/653176147.db2.gz GYDDGUOGMYIIQB-UHFFFAOYSA-N 1 0 381.523 2.020 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000773034379 653176721 /nfs/dbraw/zinc/17/67/21/653176721.db2.gz ATPUAAJHLRZMMU-BMIGLBTASA-N 1 0 381.325 2.429 20 0 GEADRO COc1cc(CS(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)sn1 ZINC000641278793 653177492 /nfs/dbraw/zinc/17/74/92/653177492.db2.gz KPUQWDIPFFLZSO-ZIAGYGMSSA-N 1 0 375.560 2.329 20 0 GEADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)c1 ZINC000641283597 653177986 /nfs/dbraw/zinc/17/79/86/653177986.db2.gz VMTGWNZMEQJKAE-HNNXBMFYSA-N 1 0 376.469 2.338 20 0 GEADRO COc1cc(CS(=O)(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)sn1 ZINC000641292142 653179887 /nfs/dbraw/zinc/17/98/87/653179887.db2.gz IKYLBTFCAVINBS-UKRRQHHQSA-N 1 0 381.523 2.407 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)n2)s1 ZINC000602446499 653181524 /nfs/dbraw/zinc/18/15/24/653181524.db2.gz CZJFTGLORHICQG-XMMPIXPASA-N 1 0 384.552 2.323 20 0 GEADRO Cc1cc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000602456205 653182671 /nfs/dbraw/zinc/18/26/71/653182671.db2.gz BVBAVSXQWOEQLH-VWLOTQADSA-N 1 0 378.416 2.375 20 0 GEADRO C[C@@H]1COCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000641302781 653182667 /nfs/dbraw/zinc/18/26/67/653182667.db2.gz UKDWFSGXBQZYSS-DYVFJYSZSA-N 1 0 376.469 2.083 20 0 GEADRO C[S@](=O)C1(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CC[NH2+]CC1 ZINC000602461149 653183132 /nfs/dbraw/zinc/18/31/32/653183132.db2.gz CUSJMCPSOYMZKR-VWLOTQADSA-N 1 0 380.901 2.024 20 0 GEADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)C[C@H]1C(C)(C)C1(F)F ZINC000641307116 653183474 /nfs/dbraw/zinc/18/34/74/653183474.db2.gz WPTHBVQAXHUMKP-HNNXBMFYSA-N 1 0 376.469 2.338 20 0 GEADRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)C[C@@]2(C)CC2(F)F)cc1 ZINC000641321689 653186123 /nfs/dbraw/zinc/18/61/23/653186123.db2.gz YMKQHHNFJFKGEB-MRXNPFEDSA-N 1 0 376.469 2.482 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1Cl ZINC000769895321 653186148 /nfs/dbraw/zinc/18/61/48/653186148.db2.gz MNKVYYNUWRXTSB-OAHLLOKOSA-N 1 0 382.917 2.264 20 0 GEADRO C[S@@](=O)C1(C(=O)N2CCC(Oc3ccccc3Cl)CC2)CC[NH2+]CC1 ZINC000602498739 653186845 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393.281 2.013 20 0 GEADRO C[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000681741954 653190630 /nfs/dbraw/zinc/19/06/30/653190630.db2.gz UYTDZVMJCDAADL-APHBMKBZSA-N 1 0 379.444 2.324 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000807354578 653191117 /nfs/dbraw/zinc/19/11/17/653191117.db2.gz LUZCMGTXVUMQRJ-OLZOCXBDSA-N 1 0 395.301 2.176 20 0 GEADRO CCOC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)[nH]1 ZINC000602570713 653191563 /nfs/dbraw/zinc/19/15/63/653191563.db2.gz IAJIHGYBZBGTKS-ZDUSSCGKSA-N 1 0 397.269 2.483 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)COc2ccc(I)cc2)CC1 ZINC000602598395 653193434 /nfs/dbraw/zinc/19/34/34/653193434.db2.gz ISMKTJXIXRWENI-AULYBMBSSA-N 1 0 388.249 2.304 20 0 GEADRO COc1cc(CS(=O)(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)sn1 ZINC000641394097 653198033 /nfs/dbraw/zinc/19/80/33/653198033.db2.gz NXQJIRHMKKUPLK-UHFFFAOYSA-N 1 0 383.539 2.482 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC[NH2+]1 ZINC000641404489 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O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000641918099 653236045 /nfs/dbraw/zinc/23/60/45/653236045.db2.gz ALDZTVYVEGRBCJ-HBYGRHMLSA-N 1 0 375.270 2.216 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCOc1cccc(Br)c1 ZINC000642188121 653239147 /nfs/dbraw/zinc/23/91/47/653239147.db2.gz JRAISQYYWACHPJ-CQSZACIVSA-N 1 0 391.331 2.232 20 0 GEADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000774544820 653241049 /nfs/dbraw/zinc/24/10/49/653241049.db2.gz NIDQOYRDSFDMGC-AWEZNQCLSA-N 1 0 384.307 2.077 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642327034 653242111 /nfs/dbraw/zinc/24/21/11/653242111.db2.gz KWAIQNOBICGVOP-XJKSGUPXSA-N 1 0 396.329 2.145 20 0 GEADRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000684003636 653250209 /nfs/dbraw/zinc/25/02/09/653250209.db2.gz YIKJRDCACBPCLI-UONOGXRCSA-N 1 0 377.312 2.386 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000809193387 653256022 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[NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858613748 653370341 /nfs/dbraw/zinc/37/03/41/653370341.db2.gz SCLUJLCFYFWCNF-GFCCVEGCSA-N 1 0 379.404 2.079 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1Cl ZINC000858616545 653370778 /nfs/dbraw/zinc/37/07/78/653370778.db2.gz USZSHJJFQLTKIB-UHFFFAOYSA-N 1 0 375.878 2.186 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000858615361 653370785 /nfs/dbraw/zinc/37/07/85/653370785.db2.gz SRTQLLLPVMRHDI-WDEREUQCSA-N 1 0 375.878 2.124 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000836704063 653371658 /nfs/dbraw/zinc/37/16/58/653371658.db2.gz QPGTYRZZPRELIY-UHFFFAOYSA-N 1 0 379.452 2.395 20 0 GEADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cccnc2OCC(F)F)CC1 ZINC000858913276 653384736 /nfs/dbraw/zinc/38/47/36/653384736.db2.gz YXXKVEGSPRVXOL-UHFFFAOYSA-N 1 0 377.457 2.267 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858946913 653387019 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COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000877417108 653506396 /nfs/dbraw/zinc/50/63/96/653506396.db2.gz NIHRPETVKMZDJF-NWDGAFQWSA-N 1 0 396.289 2.448 20 0 GEADRO Cn1nc(I)cc1C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000877428396 653509193 /nfs/dbraw/zinc/50/91/93/653509193.db2.gz UKOKIPXCQBMZMB-SNVBAGLBSA-N 1 0 396.232 2.118 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1NCc1nc(Cl)ccc1Br ZINC000877425116 653511984 /nfs/dbraw/zinc/51/19/84/653511984.db2.gz ZKYZTNFJAPSBIY-WCQYABFASA-N 1 0 379.682 2.408 20 0 GEADRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877476166 653523839 /nfs/dbraw/zinc/52/38/39/653523839.db2.gz XAFBOELCNOSZLK-JTQLQIEISA-N 1 0 384.278 2.495 20 0 GEADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(F)c2I)C1 ZINC000877493864 653527639 /nfs/dbraw/zinc/52/76/39/653527639.db2.gz IXRBXDJGWOQRAA-AWEZNQCLSA-N 1 0 376.213 2.388 20 0 GEADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000859826546 653608145 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377.432 2.175 20 0 GEADRO C[N@H+](Cc1cccc(S(N)(=O)=O)c1)C1CCN(CCC(F)(F)F)CC1 ZINC000877576381 653612952 /nfs/dbraw/zinc/61/29/52/653612952.db2.gz KDDNRLHATLFMFJ-UHFFFAOYSA-N 1 0 379.448 2.183 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(Cl)cc1Cl ZINC000813741318 653613858 /nfs/dbraw/zinc/61/38/58/653613858.db2.gz PBSORTDTVJFAAJ-ZANVPECISA-N 1 0 393.292 2.105 20 0 GEADRO CC(C)(C)OC(=O)N1[C@@H](C[NH2+]CC[S@](=O)CC(F)(F)F)COC1(C)C ZINC000877621842 653614245 /nfs/dbraw/zinc/61/42/45/653614245.db2.gz AVDVLWHKXTVJSV-FTJNGKRUSA-N 1 0 388.452 2.259 20 0 GEADRO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000877611629 653614293 /nfs/dbraw/zinc/61/42/93/653614293.db2.gz WAZGAOJPZPTECC-SFHVURJKSA-N 1 0 380.897 2.471 20 0 GEADRO CN(CC(F)(F)Br)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000813766052 653615008 /nfs/dbraw/zinc/61/50/08/653615008.db2.gz SQZGHASDRVQBIU-AWEZNQCLSA-N 1 0 377.229 2.070 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(CC)(N2CCOCC2)CC1 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C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CCSC1 ZINC000839493817 653652067 /nfs/dbraw/zinc/65/20/67/653652067.db2.gz LDVHZJWWNPBHNS-HNNXBMFYSA-N 1 0 391.324 2.068 20 0 GEADRO Cn1ncc(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cl ZINC000815123861 653652757 /nfs/dbraw/zinc/65/27/57/653652757.db2.gz QINVZJYRLQVOFF-UHFFFAOYSA-N 1 0 382.917 2.264 20 0 GEADRO Cn1ncc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1Cl ZINC000815140032 653653307 /nfs/dbraw/zinc/65/33/07/653653307.db2.gz SFGXPSTXPGFHGS-UHFFFAOYSA-N 1 0 377.297 2.185 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cs1)C(N)=O ZINC000878956119 653653327 /nfs/dbraw/zinc/65/33/27/653653327.db2.gz LOKLLHNQJCOXAN-WCQYABFASA-N 1 0 386.587 2.134 20 0 GEADRO O=C(CC[NH+]1CCC2(CNC(=O)O2)CC1)Nc1ccccc1Br ZINC000782004883 653653398 /nfs/dbraw/zinc/65/33/98/653653398.db2.gz QZHWDCUUWVKRNU-UHFFFAOYSA-N 1 0 382.258 2.352 20 0 GEADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000861358285 653655488 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CC(C)[N@@H+]1CC[C@@H](N(C)CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000840153929 653677247 /nfs/dbraw/zinc/67/72/47/653677247.db2.gz SKNUUQLQLZYNKZ-CYBMUJFWSA-N 1 0 380.286 2.350 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cnc1Br ZINC000783311260 653677336 /nfs/dbraw/zinc/67/73/36/653677336.db2.gz CSRQJFFCCGIATD-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)cnc1Br ZINC000783324201 653677577 /nfs/dbraw/zinc/67/75/77/653677577.db2.gz YXQLWZSYXMAOAK-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO COC[C@@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1cccc(Br)c1 ZINC000879662010 653677662 /nfs/dbraw/zinc/67/76/62/653677662.db2.gz OCLNDBMNLBRUSH-CQSZACIVSA-N 1 0 398.301 2.447 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000862188303 653678437 /nfs/dbraw/zinc/67/84/37/653678437.db2.gz MCZAEYSBQHSNRK-WAYWQWQTSA-N 1 0 377.432 2.259 20 0 GEADRO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@H](CO)[C@H](CO)C1)c1ccc(Cl)cc1Cl ZINC000879692273 653678965 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Cn1ncc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)c1Cl ZINC000862537518 653687831 /nfs/dbraw/zinc/68/78/31/653687831.db2.gz BZZOICLTZDSNER-SYEHKZFSSA-N 1 0 376.810 2.305 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cn(C)nc2Br)C1 ZINC000880051854 653694760 /nfs/dbraw/zinc/69/47/60/653694760.db2.gz CGBZOZSJZGKENE-GFCCVEGCSA-N 1 0 388.310 2.147 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000816869623 653694848 /nfs/dbraw/zinc/69/48/48/653694848.db2.gz WPJKSCYAVAOTJE-UHFFFAOYSA-N 1 0 389.725 2.255 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1cnc(Cl)c(Br)c1 ZINC000816883676 653695022 /nfs/dbraw/zinc/69/50/22/653695022.db2.gz IEWOWLZYANPTBV-UHFFFAOYSA-N 1 0 376.682 2.340 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NC[C@H](C)[NH+](C)C)c1 ZINC000840809702 653695229 /nfs/dbraw/zinc/69/52/29/653695229.db2.gz MZLBKKOFCVBDQT-AWEZNQCLSA-N 1 0 386.587 2.262 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)ccc1Cl ZINC000862790125 653695242 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CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000841527266 653727714 /nfs/dbraw/zinc/72/77/14/653727714.db2.gz NLYMLHZIBYNOJZ-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C2CCS(=O)(=O)CC2)C(F)(F)C1 ZINC000818215843 653727916 /nfs/dbraw/zinc/72/79/16/653727916.db2.gz PMFNXORQXMAVOO-GFCCVEGCSA-N 1 0 382.473 2.046 20 0 GEADRO Cn1nc(C(F)(F)F)c(Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)c1Cl ZINC000881349031 653728029 /nfs/dbraw/zinc/72/80/29/653728029.db2.gz RSFCVZOMZWWPPY-LLVKDONJSA-N 1 0 378.786 2.159 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)Cc3ccc(Cl)cc3Br)C[C@H]2[NH3+])cn1 ZINC000818293771 653728828 /nfs/dbraw/zinc/72/88/28/653728828.db2.gz GTMWBDSMZZBWMR-DZGCQCFKSA-N 1 0 397.704 2.332 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H](O)c2cccc(Br)c2)nn1)C1CCOCC1 ZINC000881406736 653729923 /nfs/dbraw/zinc/72/99/23/653729923.db2.gz KVPJYKJOBIYJMK-HOTGVXAUSA-N 1 0 381.274 2.201 20 0 GEADRO C[C@@H](CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)n1cc(Br)cn1 ZINC000881478258 653732418 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CC(C)N1CC[NH+](C2CCN(Cc3cc(Br)nn3C)CC2)CC1 ZINC000787201344 653735510 /nfs/dbraw/zinc/73/55/10/653735510.db2.gz KKNSJFLXMCHOGP-UHFFFAOYSA-N 1 0 384.366 2.173 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000818946279 653738862 /nfs/dbraw/zinc/73/88/62/653738862.db2.gz IWWHCQZIKSRXQP-HNNXBMFYSA-N 1 0 380.432 2.143 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl)NCc1ccccc1 ZINC000818960246 653739402 /nfs/dbraw/zinc/73/94/02/653739402.db2.gz FNNZRDYGGVHDAP-KRWDZBQOSA-N 1 0 386.876 2.222 20 0 GEADRO O=c1n(CCC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)nc2n1CCCC2 ZINC000818963855 653739419 /nfs/dbraw/zinc/73/94/19/653739419.db2.gz CIZDTVLVXQCRRW-HNNXBMFYSA-N 1 0 385.295 2.401 20 0 GEADRO C[C@@](O)(C[NH2+]CCNC(=O)c1cccnc1)c1ccc(Br)cc1F ZINC000818957671 653739480 /nfs/dbraw/zinc/73/94/80/653739480.db2.gz YMMGMBMBSRCMOC-QGZVFWFLSA-N 1 0 396.260 2.210 20 0 GEADRO CCS(=O)(=O)CC[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000818957437 653739488 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CC(=O)NCC1CCC([NH2+]C[C@@H](O)COc2ccccc2Br)CC1 ZINC000865493671 653766799 /nfs/dbraw/zinc/76/67/99/653766799.db2.gz LSEGMNRDOLEUEY-UYSNPLJNSA-N 1 0 399.329 2.473 20 0 GEADRO COc1cc[nH+]c(N2CCN(c3ccc(CO)c(Br)n3)CC2)c1 ZINC000865507989 653766982 /nfs/dbraw/zinc/76/69/82/653766982.db2.gz BPGLQYGEYPKHAY-UHFFFAOYSA-N 1 0 379.258 2.067 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1Br ZINC000842788428 653767382 /nfs/dbraw/zinc/76/73/82/653767382.db2.gz HVSOXSSBAMQWJG-GXSJLCMTSA-N 1 0 375.288 2.010 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(Cl)cc1Cl ZINC000842789200 653767407 /nfs/dbraw/zinc/76/74/07/653767407.db2.gz QQIIPJVVGCHLRB-BDAKNGLRSA-N 1 0 381.281 2.138 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CCCCS1(=O)=O)CC(F)(F)F ZINC000865526781 653767536 /nfs/dbraw/zinc/76/75/36/653767536.db2.gz XPZONLZRKSUNKB-NWDGAFQWSA-N 1 0 388.452 2.389 20 0 GEADRO CC1CCC2(CC1)OC[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)O2 ZINC000865522455 653767640 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[NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000842851388 653770400 /nfs/dbraw/zinc/77/04/00/653770400.db2.gz FZOVBJNHGKCOPW-UHFFFAOYSA-N 1 0 380.857 2.068 20 0 GEADRO O=S(=O)(/C=C/c1ccccc1Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000842853089 653770590 /nfs/dbraw/zinc/77/05/90/653770590.db2.gz SAAIMBSDFFWPJD-SEIPJRMCSA-N 1 0 397.850 2.066 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000820271455 653770684 /nfs/dbraw/zinc/77/06/84/653770684.db2.gz GCWWLLVRXFHTKP-SUHUHFCYSA-N 1 0 378.270 2.037 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c(Cl)cc1Cl ZINC000842868978 653771017 /nfs/dbraw/zinc/77/10/17/653771017.db2.gz BANKUSWHFMSVGZ-LBPRGKRZSA-N 1 0 381.281 2.138 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)CCC[NH3+])ccc1Br ZINC000842873588 653771340 /nfs/dbraw/zinc/77/13/40/653771340.db2.gz KJMASBMGJBHMNP-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000842871225 653771341 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395.294 2.407 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@](C)(O)c3ccc(F)c(Br)c3)C2)C1 ZINC000820341068 653772691 /nfs/dbraw/zinc/77/26/91/653772691.db2.gz BFRHEZHJJCOUMT-DLBZAZTESA-N 1 0 385.277 2.350 20 0 GEADRO C[NH+](C)[C@H]1CCCN(c2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000882264131 653773423 /nfs/dbraw/zinc/77/34/23/653773423.db2.gz PALHHMTYZNJNKO-JTQLQIEISA-N 1 0 397.239 2.489 20 0 GEADRO CCS(=O)(=O)c1ccc([C@H](C)NC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000789390059 653773776 /nfs/dbraw/zinc/77/37/76/653773776.db2.gz YRNNJEYAPNMPSR-AWEZNQCLSA-N 1 0 383.583 2.347 20 0 GEADRO O=C1OC[C@]2(C[NH2+]Cc3cc(Br)c(Cl)s3)COCCN12 ZINC000865770042 653774332 /nfs/dbraw/zinc/77/43/32/653774332.db2.gz NMDLOIBEMIXUGG-LBPRGKRZSA-N 1 0 381.679 2.475 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@H]3CCc4cccc(Br)c4C3)COCCN12 ZINC000865769795 653774363 /nfs/dbraw/zinc/77/43/63/653774363.db2.gz DJQKMFIQOKXDNW-SUMWQHHRSA-N 1 0 381.270 2.117 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)[C@@H]2C1 ZINC000882279647 653774708 /nfs/dbraw/zinc/77/47/08/653774708.db2.gz QTPLRLBZCXNMMX-GXSJLCMTSA-N 1 0 383.823 2.469 20 0 GEADRO COC[C@H](CN1CCO[C@@H](C)C1)OC(=O)COc1ccc(Cl)c(F)c1 ZINC000842968197 653775528 /nfs/dbraw/zinc/77/55/28/653775528.db2.gz UTQRRNOKJQUFDV-JSGCOSHPSA-N 1 0 375.824 2.137 20 0 GEADRO Cc1c(Br)ccc(F)c1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000820494465 653775571 /nfs/dbraw/zinc/77/55/71/653775571.db2.gz GPGKCMJSXDOLAQ-UHFFFAOYSA-N 1 0 384.293 2.216 20 0 GEADRO CCn1ncc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1Br ZINC000820550376 653776613 /nfs/dbraw/zinc/77/66/13/653776613.db2.gz XQEXSBKFFKEOME-UHFFFAOYSA-N 1 0 387.322 2.285 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cc(OC)c3)[C@H]2C1 ZINC000820588592 653777325 /nfs/dbraw/zinc/77/73/25/653777325.db2.gz SOHGTMJRNLTBTJ-JKSUJKDBSA-N 1 0 383.286 2.393 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000843049840 653778048 /nfs/dbraw/zinc/77/80/48/653778048.db2.gz VFXIOEWNMGVIGX-BQBZGAKWSA-N 1 0 397.195 2.043 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843050820 653778094 /nfs/dbraw/zinc/77/80/94/653778094.db2.gz RIIPKGYYSWQAOM-UHFFFAOYSA-N 1 0 386.290 2.422 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843052101 653778342 /nfs/dbraw/zinc/77/83/42/653778342.db2.gz MOLKMWUHZOOVKW-UHFFFAOYSA-N 1 0 383.905 2.376 20 0 GEADRO C[C@](O)(C[NH2+]CCCN1CCC(O)CC1)c1ccc(Br)cc1F ZINC000843061999 653778356 /nfs/dbraw/zinc/77/83/56/653778356.db2.gz KESNFCNYUYKECD-KRWDZBQOSA-N 1 0 389.309 2.232 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865876542 653778476 /nfs/dbraw/zinc/77/84/76/653778476.db2.gz QFQVTPFCYCBQFG-ZBFHGGJFSA-N 1 0 389.949 2.235 20 0 GEADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000843068036 653778551 /nfs/dbraw/zinc/77/85/51/653778551.db2.gz JEPABDXBFWZXID-RDJZCZTQSA-N 1 0 380.286 2.339 20 0 GEADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843065341 653778615 /nfs/dbraw/zinc/77/86/15/653778615.db2.gz KYFXQISNHJPYIK-DOTOQJQBSA-N 1 0 380.286 2.339 20 0 GEADRO COc1ccc([C@H](CNC(=O)c2cc(Br)no2)[NH+](C)C)cc1OC ZINC000865893572 653778949 /nfs/dbraw/zinc/77/89/49/653778949.db2.gz HXIXITQQTOWABL-NSHDSACASA-N 1 0 398.257 2.487 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@H]1CCCN1CCCO)c1ccc(Br)cc1F ZINC000843086517 653778958 /nfs/dbraw/zinc/77/89/58/653778958.db2.gz GRHHJJAJTTVESX-RHSMWYFYSA-N 1 0 389.309 2.232 20 0 GEADRO Cc1ccc([C@H](O)C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)o1 ZINC000843088337 653778990 /nfs/dbraw/zinc/77/89/90/653778990.db2.gz ODHXNPOSTNJJFF-CQSZACIVSA-N 1 0 388.283 2.447 20 0 GEADRO CN(C[C@@H](O)C[NH2+]C[C@@H](O)c1c(F)cccc1Cl)C(=O)OC(C)(C)C ZINC000843088738 653778999 /nfs/dbraw/zinc/77/89/99/653778999.db2.gz PCZLWSUMHLQCPQ-SMDDNHRTSA-N 1 0 376.856 2.330 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1Br ZINC000865896620 653779075 /nfs/dbraw/zinc/77/90/75/653779075.db2.gz NYVPUOAFGLAVNX-CQSZACIVSA-N 1 0 398.349 2.079 20 0 GEADRO C[C@](O)(C[NH2+][C@H](CO)Cc1ccncc1)c1ccc(Br)cc1F ZINC000843109357 653779467 /nfs/dbraw/zinc/77/94/67/653779467.db2.gz DQBRBHWSXBWPBK-YOEHRIQHSA-N 1 0 383.261 2.384 20 0 GEADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843103521 653779510 /nfs/dbraw/zinc/77/95/10/653779510.db2.gz AUMKZQRRAZTYRC-TUKIKUTGSA-N 1 0 378.282 2.369 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C2 ZINC000843111192 653779696 /nfs/dbraw/zinc/77/96/96/653779696.db2.gz DSBRMPGUOVEFQA-YJBOKZPZSA-N 1 0 394.313 2.127 20 0 GEADRO OC[C@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)Cc1ccc(Br)cc1 ZINC000843109873 653779722 /nfs/dbraw/zinc/77/97/22/653779722.db2.gz HVCRACUVWXRTMH-GUYCJALGSA-N 1 0 383.261 2.457 20 0 GEADRO OC[C@H](CN1CCCCC1)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843112265 653779850 /nfs/dbraw/zinc/77/98/50/653779850.db2.gz FJOSYRQCZFVGPV-BBRMVZONSA-N 1 0 375.282 2.058 20 0 GEADRO CC(C)[C@@H]([NH3+])c1noc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000843149370 653780380 /nfs/dbraw/zinc/78/03/80/653780380.db2.gz DEAOQFDVQJELIM-GFCCVEGCSA-N 1 0 378.376 2.223 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000882425662 653781384 /nfs/dbraw/zinc/78/13/84/653781384.db2.gz ZBZDGUOBOWIFHF-UPCLLVRISA-N 1 0 391.603 2.373 20 0 GEADRO F[C@@]1(c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)CC[NH2+]C1 ZINC000843228670 653782128 /nfs/dbraw/zinc/78/21/28/653782128.db2.gz LDSLMQIYLUXAAK-AWEZNQCLSA-N 1 0 379.193 2.442 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000843262760 653782341 /nfs/dbraw/zinc/78/23/41/653782341.db2.gz SPPBLAWGOKRIDF-UHFFFAOYSA-N 1 0 390.709 2.354 20 0 GEADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Br)no1 ZINC000865983060 653782456 /nfs/dbraw/zinc/78/24/56/653782456.db2.gz CYUZSVSMJWSBSP-AWEZNQCLSA-N 1 0 394.269 2.458 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(Cl)c1I ZINC000882489686 653784485 /nfs/dbraw/zinc/78/44/85/653784485.db2.gz UGBICMKIXQWKLV-MRVPVSSYSA-N 1 0 379.629 2.164 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000882491354 653784750 /nfs/dbraw/zinc/78/47/50/653784750.db2.gz GFJKNVLFQMCZEQ-CVEARBPZSA-N 1 0 394.313 2.151 20 0 GEADRO CCC(CC)(CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)SC ZINC000790028584 653785073 /nfs/dbraw/zinc/78/50/73/653785073.db2.gz CMSILFQDDCRKHV-UHFFFAOYSA-N 1 0 376.592 2.262 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000843398867 653786177 /nfs/dbraw/zinc/78/61/77/653786177.db2.gz IYOUABPECGJQNL-HOTGVXAUSA-N 1 0 383.286 2.118 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000843407535 653786350 /nfs/dbraw/zinc/78/63/50/653786350.db2.gz HRCBLOYATXNBOG-CVEARBPZSA-N 1 0 383.286 2.118 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000843407467 653786369 /nfs/dbraw/zinc/78/63/69/653786369.db2.gz GSBCYFBJQWRWSE-BBRMVZONSA-N 1 0 383.286 2.118 20 0 GEADRO C[N@@H+]1CCN(c2ccc3nnc(Br)n3n2)[C@@H](Cc2ccccc2)C1 ZINC000882528671 653786782 /nfs/dbraw/zinc/78/67/82/653786782.db2.gz BCFXAMBUQOMQSE-AWEZNQCLSA-N 1 0 387.285 2.250 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc(Cl)n1 ZINC000843437919 653787063 /nfs/dbraw/zinc/78/70/63/653787063.db2.gz AXWXMNMSBWAWGD-KFWWJZLASA-N 1 0 385.917 2.002 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc(Cl)n1 ZINC000843437921 653787070 /nfs/dbraw/zinc/78/70/70/653787070.db2.gz AXWXMNMSBWAWGD-RBSFLKMASA-N 1 0 385.917 2.002 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CCC2(C1)CC[NH2+]CC2 ZINC000843454011 653787393 /nfs/dbraw/zinc/78/73/93/653787393.db2.gz HOFVEGFPUDKESS-UHFFFAOYSA-N 1 0 395.297 2.365 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)[C@H]1C ZINC000843471836 653787701 /nfs/dbraw/zinc/78/77/01/653787701.db2.gz DAQYUGJLTFSZKO-RYUDHWBXSA-N 1 0 387.933 2.239 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N(CC[NH3+])CCc2ccccc2)ccc1Cl ZINC000843475524 653787887 /nfs/dbraw/zinc/78/78/87/653787887.db2.gz ZCGBHOZUZWNJDQ-UHFFFAOYSA-N 1 0 380.897 2.387 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cn(-c2ccccc2Br)nn1 ZINC000843502462 653788534 /nfs/dbraw/zinc/78/85/34/653788534.db2.gz CQCHFNIGVYLHRI-GFCCVEGCSA-N 1 0 390.285 2.434 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000843506182 653788606 /nfs/dbraw/zinc/78/86/06/653788606.db2.gz YEKYMVKMZIJWML-VXGBXAGGSA-N 1 0 375.922 2.226 20 0 GEADRO CCn1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1Br ZINC000821043523 653789381 /nfs/dbraw/zinc/78/93/81/653789381.db2.gz SMROOURHCGNXOH-CABCVRRESA-N 1 0 399.333 2.163 20 0 GEADRO CC(C)n1ncc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1Br ZINC000866333639 653790988 /nfs/dbraw/zinc/79/09/88/653790988.db2.gz MEOPKKLSEQRMCH-CQSZACIVSA-N 1 0 375.336 2.394 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCc2cc(Br)ccc21 ZINC000843778714 653793657 /nfs/dbraw/zinc/79/36/57/653793657.db2.gz JNRBNYYICFKYPX-BFYDXBDKSA-N 1 0 379.298 2.458 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000790667867 653795548 /nfs/dbraw/zinc/79/55/48/653795548.db2.gz BRKMHLLXAGYVMD-GOEBONIOSA-N 1 0 377.360 2.239 20 0 GEADRO C[C@H](CNC(=O)c1cnn(-c2ccccc2)c1I)[NH+](C)C ZINC000821521724 653800310 /nfs/dbraw/zinc/80/03/10/653800310.db2.gz VPBHMAXVSHWJRT-LLVKDONJSA-N 1 0 398.248 2.157 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000866525407 653800755 /nfs/dbraw/zinc/80/07/55/653800755.db2.gz RTSGEPQYWFPUAO-ZBEGNZNMSA-N 1 0 387.249 2.330 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)c(Br)c1 ZINC000866571496 653802713 /nfs/dbraw/zinc/80/27/13/653802713.db2.gz YPHYXEMGYOBCPZ-JTQLQIEISA-N 1 0 379.320 2.423 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000844162881 653802881 /nfs/dbraw/zinc/80/28/81/653802881.db2.gz LLCHQKBUPDUXFU-ZYHUDNBSSA-N 1 0 398.248 2.281 20 0 GEADRO CC[S@@](C)(=O)=NS(=O)(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000866577170 653802963 /nfs/dbraw/zinc/80/29/63/653802963.db2.gz FLBMBGSWZNVFIF-XMMPIXPASA-N 1 0 390.527 2.293 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000866577282 653803013 /nfs/dbraw/zinc/80/30/13/653803013.db2.gz DOZHVLUFAKKGQS-JBEBIEQOSA-N 1 0 380.535 2.225 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000844187021 653803011 /nfs/dbraw/zinc/80/30/11/653803011.db2.gz BHOOLBLWJYWHCD-NSHDSACASA-N 1 0 381.782 2.017 20 0 GEADRO O=C(Cc1csc(-c2nc[nH]n2)n1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000844198883 653803362 /nfs/dbraw/zinc/80/33/62/653803362.db2.gz QQLODWMFSIKPRQ-UHFFFAOYSA-N 1 0 375.483 2.033 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866579847 653803504 /nfs/dbraw/zinc/80/35/04/653803504.db2.gz ZMTDKJQQCAFRAM-UTUOFQBUSA-N 1 0 391.335 2.198 20 0 GEADRO C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@@]1(O)CCc2ccccc21 ZINC000844346050 653805423 /nfs/dbraw/zinc/80/54/23/653805423.db2.gz GFDULKCKFVCBPL-SFHVURJKSA-N 1 0 380.897 2.253 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000882769512 653806002 /nfs/dbraw/zinc/80/60/02/653806002.db2.gz ZKIGZGRUZJHLPM-CYBMUJFWSA-N 1 0 385.555 2.194 20 0 GEADRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(I)cnn2C)C12CCC2 ZINC000866629578 653806882 /nfs/dbraw/zinc/80/68/82/653806882.db2.gz IOYHZKYTBPEUOL-OLZOCXBDSA-N 1 0 375.254 2.462 20 0 GEADRO COc1ccc(C[C@@H](C)[NH2+]Cc2c(I)cnn2C)cn1 ZINC000866631328 653807141 /nfs/dbraw/zinc/80/71/41/653807141.db2.gz LSWRYHRKJFXKLT-SNVBAGLBSA-N 1 0 386.237 2.149 20 0 GEADRO COC(=O)CC1CCC([NH2+]Cc2c(I)cnn2C)CC1 ZINC000866631097 653807147 /nfs/dbraw/zinc/80/71/47/653807147.db2.gz FEHOFFCZPBHGQF-UHFFFAOYSA-N 1 0 391.253 2.236 20 0 GEADRO COc1cccc(C[C@@H](C)[NH2+]Cc2c(I)cnn2C)n1 ZINC000866631834 653807192 /nfs/dbraw/zinc/80/71/92/653807192.db2.gz SCVIHALFVZQJPH-SNVBAGLBSA-N 1 0 386.237 2.149 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000866643327 653807744 /nfs/dbraw/zinc/80/77/44/653807744.db2.gz HAEILRLYRQFGEY-QGZVFWFLSA-N 1 0 387.571 2.241 20 0 GEADRO O=C1N[C@@H]2CN(Cc3c(Cl)cncc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000866666230 653809153 /nfs/dbraw/zinc/80/91/53/653809153.db2.gz NTAUXMKXADGALW-CVEARBPZSA-N 1 0 384.311 2.109 20 0 GEADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccnc(Cl)c2c1 ZINC000866674606 653809883 /nfs/dbraw/zinc/80/98/83/653809883.db2.gz BCXDCLCZPBEBFC-UONOGXRCSA-N 1 0 381.885 2.030 20 0 GEADRO CCC[NH+]1CCC(CNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000866681057 653810783 /nfs/dbraw/zinc/81/07/83/653810783.db2.gz SWWCFOLCMKRRFZ-DEOSSOPVSA-N 1 0 391.534 2.239 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)C[N@@H+]1C ZINC000844641553 653810880 /nfs/dbraw/zinc/81/08/80/653810880.db2.gz REAFCVAFFZXAOL-XQQFMLRXSA-N 1 0 387.933 2.143 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000866752592 653819479 /nfs/dbraw/zinc/81/94/79/653819479.db2.gz SJTLUGNZDMBTCM-AWEZNQCLSA-N 1 0 387.373 2.379 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000866756893 653820213 /nfs/dbraw/zinc/82/02/13/653820213.db2.gz CATXENXGDOIRRK-UHFFFAOYSA-N 1 0 386.930 2.499 20 0 GEADRO O=C(NC/C=C\c1ccc(Br)cc1)NCC[NH+]1CCC(O)CC1 ZINC000895140999 653820308 /nfs/dbraw/zinc/82/03/08/653820308.db2.gz SHFDIOJOCYIFCN-UPHRSURJSA-N 1 0 382.302 2.218 20 0 GEADRO Cc1nc(CONC(=[NH2+])[C@@H]2CN(C(C)C)CCO2)sc1Br ZINC000882988025 653820907 /nfs/dbraw/zinc/82/09/07/653820907.db2.gz WWUZMRNSYYVRCN-JTQLQIEISA-N 1 0 377.308 2.322 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)C1N=NC(=O)N1C ZINC000895178607 653821492 /nfs/dbraw/zinc/82/14/92/653821492.db2.gz WOJHXPKNKQJUCL-VHSXEESVSA-N 1 0 382.262 2.351 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000866766161 653821706 /nfs/dbraw/zinc/82/17/06/653821706.db2.gz LBCGGZDEXAPSPB-UHFFFAOYSA-N 1 0 379.320 2.395 20 0 GEADRO Cn1ncc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)c1Br ZINC000866768501 653822090 /nfs/dbraw/zinc/82/20/90/653822090.db2.gz BQKPUJWNSHMBOP-UHFFFAOYSA-N 1 0 393.351 2.117 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866771659 653822729 /nfs/dbraw/zinc/82/27/29/653822729.db2.gz 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CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCCOC1 ZINC000883354620 653836959 /nfs/dbraw/zinc/83/69/59/653836959.db2.gz ZVEXAUKORBDRMM-OCCSQVGLSA-N 1 0 391.331 2.391 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000883359180 653837055 /nfs/dbraw/zinc/83/70/55/653837055.db2.gz ZSBHAZLEJYAUJK-BXKDBHETSA-N 1 0 390.374 2.146 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)ccc1S(C)(=O)=O ZINC000883360244 653837254 /nfs/dbraw/zinc/83/72/54/653837254.db2.gz YMWDAZLEUQOHOV-UFBFGSQYSA-N 1 0 391.358 2.308 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C1CCC2(COC2)CC1 ZINC000883391643 653838470 /nfs/dbraw/zinc/83/84/70/653838470.db2.gz OZTYPKYSMZRLHJ-AWEZNQCLSA-N 1 0 387.933 2.253 20 0 GEADRO O=C1COc2cc(Br)cc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2N1 ZINC000883398342 653838782 /nfs/dbraw/zinc/83/87/82/653838782.db2.gz KLWKDCLFTDKTMT-CYBMUJFWSA-N 1 0 396.285 2.445 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000883471105 653840942 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[NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1csnc1-c1ccccc1)C2 ZINC000883480818 653842411 /nfs/dbraw/zinc/84/24/11/653842411.db2.gz NRDOUWOHSPXUSB-UHFFFAOYSA-N 1 0 392.531 2.472 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000883483575 653843002 /nfs/dbraw/zinc/84/30/02/653843002.db2.gz MGABXRWLCHTXLX-UHFFFAOYSA-N 1 0 377.869 2.330 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)Cc2c(Br)cccc2OC)CC1 ZINC000883482935 653843060 /nfs/dbraw/zinc/84/30/60/653843060.db2.gz NWTIGGGKQLQQCB-UHFFFAOYSA-N 1 0 391.331 2.491 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 ZINC000883482808 653843063 /nfs/dbraw/zinc/84/30/63/653843063.db2.gz KFRFOWCSJHJALX-UHFFFAOYSA-N 1 0 379.404 2.079 20 0 GEADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000895684201 653845577 /nfs/dbraw/zinc/84/55/77/653845577.db2.gz BFQFNJXBYPMGJL-ATLLOTDBSA-N 1 0 375.494 2.096 20 0 GEADRO C[C@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)[C@@H]1C[NH3+] ZINC000883592923 653846434 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C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cscc2Br)C1 ZINC000883640046 653849122 /nfs/dbraw/zinc/84/91/22/653849122.db2.gz FOMPZWFFQAWHLQ-MNOVXSKESA-N 1 0 388.331 2.055 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000895772430 653849629 /nfs/dbraw/zinc/84/96/29/653849629.db2.gz QRSFRFIVGNXJOY-HZPDHXFCSA-N 1 0 379.298 2.191 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000823033747 653850977 /nfs/dbraw/zinc/85/09/77/653850977.db2.gz IJIKSNFWZBWBTF-NSHDSACASA-N 1 0 376.400 2.194 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000895803175 653851085 /nfs/dbraw/zinc/85/10/85/653851085.db2.gz UZULOQZTOQXADC-JTQLQIEISA-N 1 0 390.269 2.175 20 0 GEADRO COC[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@H]1CCCOC1 ZINC000895859673 653853042 /nfs/dbraw/zinc/85/30/42/653853042.db2.gz VHKACLOUILHUML-STQMWFEESA-N 1 0 375.922 2.164 20 0 GEADRO COCC[NH+]1CCC(NC(=O)Cc2sc(CC(F)(F)F)nc2C)CC1 ZINC000895889095 653856119 /nfs/dbraw/zinc/85/61/19/653856119.db2.gz RCHPYZBVFPQZMW-UHFFFAOYSA-N 1 0 379.448 2.326 20 0 GEADRO NS(=O)(=O)c1ccc(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)s1 ZINC000895908344 653856489 /nfs/dbraw/zinc/85/64/89/653856489.db2.gz IHGGDBKYTXIDIL-IRXDYDNUSA-N 1 0 380.535 2.354 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)nc1Br ZINC000792953589 653857400 /nfs/dbraw/zinc/85/74/00/653857400.db2.gz RLOZNJVEJJNOBP-YPMHNXCESA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)nc1Br ZINC000792964638 653857888 /nfs/dbraw/zinc/85/78/88/653857888.db2.gz MKHRRLSJVCWOQD-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)nc1Br ZINC000792967806 653858156 /nfs/dbraw/zinc/85/81/56/653858156.db2.gz FRDIPXIFPWOPPB-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCCc2ccc(Br)cc2)C1 ZINC000884020081 653860713 /nfs/dbraw/zinc/86/07/13/653860713.db2.gz MNZHRNCBJKAFIV-OAHLLOKOSA-N 1 0 396.329 2.085 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nc1Br ZINC000793005111 653861168 /nfs/dbraw/zinc/86/11/68/653861168.db2.gz LATHMOBRAAETNO-CHWSQXEVSA-N 1 0 395.301 2.034 20 0 GEADRO O=c1cc(-c2nc(N3CC[NH2+]CC3)no2)c2cc(Br)ccc2[nH]1 ZINC000823299970 653861523 /nfs/dbraw/zinc/86/15/23/653861523.db2.gz KDCZSIDBZYFTQK-UHFFFAOYSA-N 1 0 376.214 2.163 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000866995335 653862219 /nfs/dbraw/zinc/86/22/19/653862219.db2.gz CFXIEVAJNZXGMP-PVAVHDDUSA-N 1 0 390.908 2.492 20 0 GEADRO O=C1[C@H](c2nc(N3CC[NH2+]CC3)no2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000823315875 653862259 /nfs/dbraw/zinc/86/22/59/653862259.db2.gz PPFVCTZGHNHKFA-NSHDSACASA-N 1 0 382.251 2.307 20 0 GEADRO CCCC(=O)NC1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884092933 653863043 /nfs/dbraw/zinc/86/30/43/653863043.db2.gz UEIJRMLWWTYQBB-MRXNPFEDSA-N 1 0 382.302 2.356 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)nc1Br ZINC000793046175 653864028 /nfs/dbraw/zinc/86/40/28/653864028.db2.gz IAXKQUKBKDPZGQ-OLZOCXBDSA-N 1 0 395.301 2.034 20 0 GEADRO CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884113938 653864338 /nfs/dbraw/zinc/86/43/38/653864338.db2.gz DHLJXDLHHGQMTD-CJNGLKHVSA-N 1 0 396.329 2.460 20 0 GEADRO C[C@@H]1[C@H](COC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[N@@H+]1C ZINC000845813192 653864318 /nfs/dbraw/zinc/86/43/18/653864318.db2.gz AQLUWKAYCLXRAU-NEPJUHHUSA-N 1 0 394.269 2.042 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2C[NH2+]CC2(C)C)c(F)cc1F ZINC000884119585 653864608 /nfs/dbraw/zinc/86/46/08/653864608.db2.gz QDGGAAIMOWTANL-JTQLQIEISA-N 1 0 375.441 2.301 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)N=[S@](C)(=O)c3ccccc3)C2)CC1 ZINC000867012492 653865505 /nfs/dbraw/zinc/86/55/05/653865505.db2.gz MLVUWYWXGGMXBX-VOIUYBSRSA-N 1 0 385.555 2.052 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)c1c[nH]nc1I ZINC000896139251 653866247 /nfs/dbraw/zinc/86/62/47/653866247.db2.gz DNPYXICHXSADKS-UHFFFAOYSA-N 1 0 378.258 2.256 20 0 GEADRO CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884163915 653866362 /nfs/dbraw/zinc/86/63/62/653866362.db2.gz SEFUKABHBYYUJD-ZDUSSCGKSA-N 1 0 381.325 2.193 20 0 GEADRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000884162201 653866399 /nfs/dbraw/zinc/86/63/99/653866399.db2.gz YRNXCUOBRRKNMH-IUODEOHRSA-N 1 0 387.318 2.315 20 0 GEADRO [NH3+][C@@H](C(=O)Nc1ccc(N2CCOCC2)cn1)c1ccc(Br)cc1 ZINC000884184066 653867185 /nfs/dbraw/zinc/86/71/85/653867185.db2.gz FEXTUIYKZABPDD-MRXNPFEDSA-N 1 0 391.269 2.319 20 0 GEADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+]CC2CCSCC2)C1 ZINC000896203039 653868684 /nfs/dbraw/zinc/86/86/84/653868684.db2.gz QDZKECLYVUIQRW-OAHLLOKOSA-N 1 0 392.587 2.143 20 0 GEADRO COCC[C@H]([NH3+])C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000884226940 653868737 /nfs/dbraw/zinc/86/87/37/653868737.db2.gz DUROUSUEAGXIIG-BBRMVZONSA-N 1 0 384.318 2.018 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC[C@@H]1[NH3+] ZINC000884270312 653869940 /nfs/dbraw/zinc/86/99/40/653869940.db2.gz KJOSDCKRVHOEOV-ONERCXAPSA-N 1 0 381.270 2.116 20 0 GEADRO Cc1cnc(Br)c(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000823491140 653869912 /nfs/dbraw/zinc/86/99/12/653869912.db2.gz DCQIJCWTQSUPPR-CYBMUJFWSA-N 1 0 383.290 2.215 20 0 GEADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000884288082 653870746 /nfs/dbraw/zinc/87/07/46/653870746.db2.gz VBSUXSUVCANNHF-MAUKXSAKSA-N 1 0 393.281 2.133 20 0 GEADRO Cc1cc(C(F)(F)F)nn1CC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000896268312 653872030 /nfs/dbraw/zinc/87/20/30/653872030.db2.gz AREBXGIJMOFCIQ-UHFFFAOYSA-N 1 0 382.452 2.050 20 0 GEADRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884319303 653872066 /nfs/dbraw/zinc/87/20/66/653872066.db2.gz RRMWJXUPRBKFET-MRXNPFEDSA-N 1 0 398.345 2.266 20 0 GEADRO COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884323318 653872417 /nfs/dbraw/zinc/87/24/17/653872417.db2.gz LAYFDVOHGFUXFR-UWVGGRQHSA-N 1 0 383.164 2.059 20 0 GEADRO C[NH+](C)CCC1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000867060984 653873209 /nfs/dbraw/zinc/87/32/09/653873209.db2.gz RRXVHLWKPMLTBG-XMMPIXPASA-N 1 0 391.534 2.191 20 0 GEADRO Cn1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c(Br)n1 ZINC000884346063 653873447 /nfs/dbraw/zinc/87/34/47/653873447.db2.gz XTXZNMAXSXQUAT-OCCSQVGLSA-N 1 0 381.249 2.279 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2nn3c(c2Br)CCC3)C[C@H]1c1ccccc1F ZINC000884343909 653873465 /nfs/dbraw/zinc/87/34/65/653873465.db2.gz PIYSPSRFVPIDEO-WCQYABFASA-N 1 0 393.260 2.298 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C(=O)O1 ZINC000896336381 653874858 /nfs/dbraw/zinc/87/48/58/653874858.db2.gz YLNCFMWQTBGKIC-WFASDCNBSA-N 1 0 398.301 2.226 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884389558 653875159 /nfs/dbraw/zinc/87/51/59/653875159.db2.gz BBRSHRZXTGREKA-JFILPPLUSA-N 1 0 384.318 2.063 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000884399219 653875347 /nfs/dbraw/zinc/87/53/47/653875347.db2.gz YSBRFNYUXIZOHO-HOTGVXAUSA-N 1 0 382.599 2.070 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000845975819 653875535 /nfs/dbraw/zinc/87/55/35/653875535.db2.gz PXOLTYHXZKKIAZ-GJZGRUSLSA-N 1 0 380.917 2.045 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000845975823 653875580 /nfs/dbraw/zinc/87/55/80/653875580.db2.gz PXOLTYHXZKKIAZ-LSDHHAIUSA-N 1 0 380.917 2.045 20 0 GEADRO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCn2ncc(Br)c2C1 ZINC000884416799 653876247 /nfs/dbraw/zinc/87/62/47/653876247.db2.gz MUJADOWJSAADTI-CQSZACIVSA-N 1 0 388.269 2.039 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1nc(Br)c3ccccn31)CCO2 ZINC000823674613 653876432 /nfs/dbraw/zinc/87/64/32/653876432.db2.gz YVNWGIPOQQWFGC-UHFFFAOYSA-N 1 0 393.285 2.034 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2nn3c(c2Br)CCC3)CC[C@@H]1C(F)(F)F ZINC000884433234 653876579 /nfs/dbraw/zinc/87/65/79/653876579.db2.gz DIJSWHMRPDJYQD-BDAKNGLRSA-N 1 0 395.223 2.191 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(Br)cc1 ZINC000884439541 653876877 /nfs/dbraw/zinc/87/68/77/653876877.db2.gz IYBVCDBEGSXWSK-KBMXLJTQSA-N 1 0 392.253 2.196 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1nc(Br)sc1C1CC1 ZINC000823721999 653877868 /nfs/dbraw/zinc/87/78/68/653877868.db2.gz RUYGFIRGGZYPGT-NSHDSACASA-N 1 0 388.331 2.360 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccccc2Br)C1 ZINC000884500261 653879088 /nfs/dbraw/zinc/87/90/88/653879088.db2.gz AZPMBGNPGFSGGY-SFHVURJKSA-N 1 0 396.329 2.289 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793496247 653879298 /nfs/dbraw/zinc/87/92/98/653879298.db2.gz DDWXHMDDHOOYCR-LLVKDONJSA-N 1 0 392.541 2.451 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C(=O)Nc4c3cccc4Br)C[C@@H]2C1 ZINC000823784370 653879557 /nfs/dbraw/zinc/87/95/57/653879557.db2.gz RAWYCGCURIEDDL-DYEKYZERSA-N 1 0 392.297 2.285 20 0 GEADRO CC(C)Oc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)cc1Cl ZINC000793529464 653879628 /nfs/dbraw/zinc/87/96/28/653879628.db2.gz BMEYRVRIYXZHII-AWEZNQCLSA-N 1 0 390.933 2.440 20 0 GEADRO Cn1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Br ZINC000823851369 653881590 /nfs/dbraw/zinc/88/15/90/653881590.db2.gz LUXRWWSGANIZKR-UHFFFAOYSA-N 1 0 378.274 2.187 20 0 GEADRO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@H]1C[N@H+](C)CCN1C ZINC000896526029 653882175 /nfs/dbraw/zinc/88/21/75/653882175.db2.gz FHDRUTXLOBFYEV-XOYXNHQRSA-N 1 0 392.341 2.085 20 0 GEADRO C[C@@H](NC(=O)c1cc2c(Br)cccc2cn1)[C@@H]1C[N@H+](C)CCN1C ZINC000896538576 653883201 /nfs/dbraw/zinc/88/32/01/653883201.db2.gz FLZTWNHFHGTNFR-PXAZEXFGSA-N 1 0 391.313 2.361 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])c1cc(F)cc(Br)c1 ZINC000884660281 653883530 /nfs/dbraw/zinc/88/35/30/653883530.db2.gz PDJXQYOBLKPYCQ-CYBMUJFWSA-N 1 0 388.281 2.399 20 0 GEADRO C[C@H](NC(=O)c1nc2ccccc2cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896541547 653883643 /nfs/dbraw/zinc/88/36/43/653883643.db2.gz KTKMLKVJUKDHAH-LRDDRELGSA-N 1 0 391.313 2.361 20 0 GEADRO O=S(=O)(N1CCC([NH2+]Cc2ccnc(Cl)c2F)CC1)C(F)(F)F ZINC000824018214 653883714 /nfs/dbraw/zinc/88/37/14/653883714.db2.gz PDMHDIJHCMHBPX-UHFFFAOYSA-N 1 0 375.775 2.278 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896543445 653884056 /nfs/dbraw/zinc/88/40/56/653884056.db2.gz XYHOFDKFYHBASL-IUODEOHRSA-N 1 0 384.318 2.130 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000793795468 653885234 /nfs/dbraw/zinc/88/52/34/653885234.db2.gz QFOSYPCZQRRYCK-LLVKDONJSA-N 1 0 388.281 2.051 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000793793218 653885370 /nfs/dbraw/zinc/88/53/70/653885370.db2.gz IUBSQIFSZJCORG-ZDUSSCGKSA-N 1 0 396.329 2.180 20 0 GEADRO C[C@H](NC(=O)c1c(F)cc(Br)cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896556501 653885508 /nfs/dbraw/zinc/88/55/08/653885508.db2.gz PRFPJRXWQJYTAC-TVQRCGJNSA-N 1 0 376.245 2.091 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000824094859 653885553 /nfs/dbraw/zinc/88/55/53/653885553.db2.gz MSCQPGUUWLLXAJ-IXDOHACOSA-N 1 0 394.313 2.369 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC000824158492 653887099 /nfs/dbraw/zinc/88/70/99/653887099.db2.gz QDLBYBAIYAUXTG-UHFFFAOYSA-N 1 0 391.256 2.456 20 0 GEADRO CCOC(=O)C1(C(F)(F)F)CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000884752017 653887658 /nfs/dbraw/zinc/88/76/58/653887658.db2.gz NPNMVTMBOSDJDX-GFCCVEGCSA-N 1 0 382.448 2.158 20 0 GEADRO CC[C@](O)(CCC(F)(F)F)CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000896608423 653888087 /nfs/dbraw/zinc/88/80/87/653888087.db2.gz FFVJBOULQGVWOO-NFAWXSAZSA-N 1 0 383.480 2.349 20 0 GEADRO Cc1n[nH]c(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c1Br ZINC000846173406 653889023 /nfs/dbraw/zinc/88/90/23/653889023.db2.gz QEOPERYGMQEAAN-UHFFFAOYSA-N 1 0 380.290 2.470 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C[NH2+]1 ZINC000884820523 653889976 /nfs/dbraw/zinc/88/99/76/653889976.db2.gz SJBJBAGJYFYWQG-GXSJLCMTSA-N 1 0 377.794 2.232 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@H]2c3cc(Br)ccc3NC2=O)C1 ZINC000824269513 653890175 /nfs/dbraw/zinc/89/01/75/653890175.db2.gz ALISCYAJEPWQMU-SUHUHFCYSA-N 1 0 380.286 2.331 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)c2c(C)[nH]nc2I)CC1 ZINC000896679544 653890609 /nfs/dbraw/zinc/89/06/09/653890609.db2.gz LHLHYNQUAFTAKS-UHFFFAOYSA-N 1 0 390.269 2.175 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)[C@H]1Sc1ccccc1 ZINC000896682552 653890922 /nfs/dbraw/zinc/89/09/22/653890922.db2.gz MCLKOAKFZHZUDD-MLHJIOFPSA-N 1 0 385.551 2.118 20 0 GEADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ncnc2c1c(Br)nn2C ZINC000884855952 653891476 /nfs/dbraw/zinc/89/14/76/653891476.db2.gz VODTWPLWVFWUBM-NSHDSACASA-N 1 0 388.273 2.236 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884890699 653893039 /nfs/dbraw/zinc/89/30/39/653893039.db2.gz BIVJPLPOGAFFEA-AWEZNQCLSA-N 1 0 379.913 2.436 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000846265936 653893800 /nfs/dbraw/zinc/89/38/00/653893800.db2.gz AKNXRYHEXWLBOW-QZTJIDSGSA-N 1 0 375.916 2.388 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000846275181 653894120 /nfs/dbraw/zinc/89/41/20/653894120.db2.gz DSDOTDLQDVCTMR-DLBZAZTESA-N 1 0 389.924 2.459 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000846275183 653894267 /nfs/dbraw/zinc/89/42/67/653894267.db2.gz DSDOTDLQDVCTMR-IAGOWNOFSA-N 1 0 389.924 2.459 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000884958875 653898250 /nfs/dbraw/zinc/89/82/50/653898250.db2.gz FSGIMASBPBYCEC-RYUDHWBXSA-N 1 0 387.889 2.423 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1Cl ZINC000884956896 653898343 /nfs/dbraw/zinc/89/83/43/653898343.db2.gz ICHPMDZADKHLAF-WDEREUQCSA-N 1 0 390.864 2.171 20 0 GEADRO COc1cc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1O ZINC000896955865 653900447 /nfs/dbraw/zinc/90/04/47/653900447.db2.gz OTGMZLPPRNSGDT-YOGCLGLASA-N 1 0 390.299 2.361 20 0 GEADRO COCOc1ccc(OC)cc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000824542890 653901001 /nfs/dbraw/zinc/90/10/01/653901001.db2.gz CUUKZYUFNQNBCO-UHFFFAOYSA-N 1 0 397.269 2.392 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974591 653902161 /nfs/dbraw/zinc/90/21/61/653902161.db2.gz ZDJQLLPITTVJQD-OAHLLOKOSA-N 1 0 396.329 2.302 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884977326 653902477 /nfs/dbraw/zinc/90/24/77/653902477.db2.gz PGGHLEJTKHVWKJ-NSHDSACASA-N 1 0 377.794 2.185 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000794345913 653904263 /nfs/dbraw/zinc/90/42/63/653904263.db2.gz UIAMWTPFOBGYKB-UHFFFAOYSA-N 1 0 377.242 2.210 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000824677156 653904966 /nfs/dbraw/zinc/90/49/66/653904966.db2.gz AHAHLSWRBKABCY-RRFJBIMHSA-N 1 0 377.551 2.082 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cccc(F)c2I)CC1 ZINC000846647213 653905516 /nfs/dbraw/zinc/90/55/16/653905516.db2.gz KDJKWSQUQUVOHC-UHFFFAOYSA-N 1 0 378.185 2.186 20 0 GEADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H](N)CC[NH+](C)C ZINC000846682598 653906217 /nfs/dbraw/zinc/90/62/17/653906217.db2.gz RYJGMHWSHBQIIC-LLVKDONJSA-N 1 0 387.278 2.235 20 0 GEADRO [NH3+]CCC1CCN(C(=O)c2cccn3c(I)cnc23)CC1 ZINC000846695597 653906549 /nfs/dbraw/zinc/90/65/49/653906549.db2.gz MGHDGCZYIDKBDH-UHFFFAOYSA-N 1 0 398.248 2.140 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)[C@]2(C)CC2(Br)Br)n1 ZINC000824777678 653908214 /nfs/dbraw/zinc/90/82/14/653908214.db2.gz NTSSREGERNMTPQ-NSHDSACASA-N 1 0 394.111 2.279 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)[C@@]2(C)CC2(Br)Br)n1 ZINC000824777676 653908252 /nfs/dbraw/zinc/90/82/52/653908252.db2.gz NTSSREGERNMTPQ-LLVKDONJSA-N 1 0 394.111 2.279 20 0 GEADRO O=c1[nH]c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)nc2ccc(Br)cc12 ZINC000897216098 653910608 /nfs/dbraw/zinc/91/06/08/653910608.db2.gz IVGLZJWKXSUOHJ-GJZGRUSLSA-N 1 0 393.285 2.133 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000867308791 653912864 /nfs/dbraw/zinc/91/28/64/653912864.db2.gz MZYLECSEFVEHLT-CABZTGNLSA-N 1 0 395.294 2.310 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(C)c1Cl ZINC000867308460 653913010 /nfs/dbraw/zinc/91/30/10/653913010.db2.gz JXHIYAMLAAMKHD-VHSXEESVSA-N 1 0 380.919 2.210 20 0 GEADRO C[C@@H](CCNC(=O)c1c[nH]nc1I)[NH+]1CCCCC1 ZINC000897376500 653918137 /nfs/dbraw/zinc/91/81/37/653918137.db2.gz XXYOWAYXWPHOQM-JTQLQIEISA-N 1 0 376.242 2.009 20 0 GEADRO Cc1c(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cnc(Cl)c1Br ZINC000847172946 653919211 /nfs/dbraw/zinc/91/92/11/653919211.db2.gz HNKWOXQPDVTSJM-VHSXEESVSA-N 1 0 389.681 2.089 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC000825188949 653919968 /nfs/dbraw/zinc/91/99/68/653919968.db2.gz UIKGOMWTSRVENY-DGCLKSJQSA-N 1 0 387.933 2.274 20 0 GEADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897413372 653920350 /nfs/dbraw/zinc/92/03/50/653920350.db2.gz XUXAJKGNPQKETP-HNNXBMFYSA-N 1 0 378.270 2.267 20 0 GEADRO CCn1ncc(C(=O)N2CCN[C@@H](c3ccc(OC)cc3)C2)c1Br ZINC000825208499 653921107 /nfs/dbraw/zinc/92/11/07/653921107.db2.gz NNVVDHOVTLUNKE-OAHLLOKOSA-N 1 0 393.285 2.461 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885275809 653922152 /nfs/dbraw/zinc/92/21/52/653922152.db2.gz IXQGNZWSJOVEIZ-LLVKDONJSA-N 1 0 394.249 2.313 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000847312557 653924489 /nfs/dbraw/zinc/92/44/89/653924489.db2.gz QGHXVSOUPODTSF-HUUCEWRRSA-N 1 0 382.302 2.420 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847373427 653926107 /nfs/dbraw/zinc/92/61/07/653926107.db2.gz HJTYHYVTSRUBJU-LLVKDONJSA-N 1 0 376.400 2.194 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=S)NCCCCC(F)(F)F)CC1 ZINC000794984380 653926117 /nfs/dbraw/zinc/92/61/17/653926117.db2.gz CTLOOCIJGXICCP-UHFFFAOYSA-N 1 0 382.496 2.126 20 0 GEADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)[C@H](C)C1 ZINC000867394872 653926715 /nfs/dbraw/zinc/92/67/15/653926715.db2.gz GZVQWJFTUXPLRO-CYBMUJFWSA-N 1 0 387.933 2.147 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000847411501 653927695 /nfs/dbraw/zinc/92/76/95/653927695.db2.gz JFOFWKCZUFANKL-VDISTLRHSA-N 1 0 398.301 2.375 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(Br)cn2ncnc12 ZINC000825410116 653928620 /nfs/dbraw/zinc/92/86/20/653928620.db2.gz ONCOMSYRRHXFKO-LBPRGKRZSA-N 1 0 380.290 2.342 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2nc(F)ccc2Br)CC1 ZINC000847464090 653929788 /nfs/dbraw/zinc/92/97/88/653929788.db2.gz OXSSBDSQOZHWGX-CYBMUJFWSA-N 1 0 399.308 2.225 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)c3nc(F)ccc3Br)CC2)CC1 ZINC000847478580 653930022 /nfs/dbraw/zinc/93/00/22/653930022.db2.gz RXWDOISYZKNRMC-UHFFFAOYSA-N 1 0 399.308 2.083 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000825625837 653935599 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Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897830732 653939595 /nfs/dbraw/zinc/93/95/95/653939595.db2.gz LTGJTQAEGHSCKD-AWEZNQCLSA-N 1 0 387.933 2.381 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1I ZINC000867526057 653945472 /nfs/dbraw/zinc/94/54/72/653945472.db2.gz JJNKWSZMQLHLET-VXGBXAGGSA-N 1 0 390.269 2.281 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCc2cscc2Cl)CC1 ZINC000897949151 653945790 /nfs/dbraw/zinc/94/57/90/653945790.db2.gz FLQGPJIDEZGDDM-UHFFFAOYSA-N 1 0 387.933 2.023 20 0 GEADRO CN(Cc1ccns1)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000897956475 653945975 /nfs/dbraw/zinc/94/59/75/653945975.db2.gz NJWHCAFKLPGSNC-HNNXBMFYSA-N 1 0 380.901 2.174 20 0 GEADRO C[N@@H+]1CC[C@H](CCOC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000847822377 653946467 /nfs/dbraw/zinc/94/64/67/653946467.db2.gz AQRHSSRGFIPRMT-LLVKDONJSA-N 1 0 390.299 2.351 20 0 GEADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000897976967 653946703 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COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)o1 ZINC000867580503 653955577 /nfs/dbraw/zinc/95/55/77/653955577.db2.gz BRHFEAHTABDOCI-UHFFFAOYSA-N 1 0 395.319 2.021 20 0 GEADRO O=c1cc(N2CC[C@H]([NH2+]Cc3cc(Br)cnc3Cl)C2)nc[nH]1 ZINC000898151880 653955864 /nfs/dbraw/zinc/95/58/64/653955864.db2.gz VZKJRBLVMWNCIE-NSHDSACASA-N 1 0 384.665 2.362 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000867581144 653955984 /nfs/dbraw/zinc/95/59/84/653955984.db2.gz IWKJTABQNWKNGI-AWEZNQCLSA-N 1 0 387.373 2.190 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)cc(Br)c1O ZINC000898159284 653956145 /nfs/dbraw/zinc/95/61/45/653956145.db2.gz UAHLQFQWBIZQQY-NSHDSACASA-N 1 0 395.257 2.027 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c(F)c1F ZINC000867582307 653956407 /nfs/dbraw/zinc/95/64/07/653956407.db2.gz TUMKGYZKSQRJEY-UHFFFAOYSA-N 1 0 376.469 2.252 20 0 GEADRO O=S1(=O)CCC([NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)CC1 ZINC000898162094 653956566 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C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)Nc3c[nH]nc3Br)cc21 ZINC000898476961 653972201 /nfs/dbraw/zinc/97/22/01/653972201.db2.gz SEYLUSTXQPZQPY-UHFFFAOYSA-N 1 0 393.245 2.041 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1cc(C)cnc1Cl)CCS2(=O)=O ZINC000898482088 653972480 /nfs/dbraw/zinc/97/24/80/653972480.db2.gz SNZMRPKTGDGYNL-UUCFBXCCSA-N 1 0 386.901 2.032 20 0 GEADRO O[C@@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)CC[C@@H]1O ZINC000886262067 653974938 /nfs/dbraw/zinc/97/49/38/653974938.db2.gz JRENRYWJUWJAPY-IXLQSRGQSA-N 1 0 397.203 2.323 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(F)cc1Cl ZINC000795892926 653975811 /nfs/dbraw/zinc/97/58/11/653975811.db2.gz LIBIRKINUZDEFR-UHFFFAOYSA-N 1 0 380.869 2.226 20 0 GEADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCC[S@@](=O)CC(F)(F)F)cc1 ZINC000898583144 653976730 /nfs/dbraw/zinc/97/67/30/653976730.db2.gz SQXCCVHPSLJAEM-HWRSSNJWSA-N 1 0 380.432 2.162 20 0 GEADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C2C[NH+](C3CCOCC3)C2)n1 ZINC000898586565 653977464 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CCCCCS(=O)(=O)CC(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899048588 653996802 /nfs/dbraw/zinc/99/68/02/653996802.db2.gz AQTQNXPRUGNYGU-UHFFFAOYSA-N 1 0 386.905 2.255 20 0 GEADRO OCCOCC1(O)CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000886742527 653997345 /nfs/dbraw/zinc/99/73/45/653997345.db2.gz CEYHZAQBNVKEKP-UHFFFAOYSA-N 1 0 395.297 2.333 20 0 GEADRO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000886791873 654000433 /nfs/dbraw/zinc/00/04/33/654000433.db2.gz BOAKDWQKUNLXSB-JSGCOSHPSA-N 1 0 398.219 2.436 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1F)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899137436 654001119 /nfs/dbraw/zinc/00/11/19/654001119.db2.gz FBKONKAHXLBFJI-NSHDSACASA-N 1 0 375.213 2.064 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)N(CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000867863970 654001366 /nfs/dbraw/zinc/00/13/66/654001366.db2.gz JEDGZZFRJQUGEV-UHFFFAOYSA-N 1 0 388.559 2.090 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Br)ncc3Br)C[C@H]2C1 ZINC000867873920 654002178 /nfs/dbraw/zinc/00/21/78/654002178.db2.gz SZQDLTSSNMBUAZ-DTORHVGOSA-N 1 0 389.091 2.240 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cn(C)nc3Br)C2)cc1 ZINC000899172964 654002266 /nfs/dbraw/zinc/00/22/66/654002266.db2.gz INZHXQYLHFTCTN-AWEZNQCLSA-N 1 0 377.286 2.495 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)c2c[nH]nc2I)CC1 ZINC000899175344 654002503 /nfs/dbraw/zinc/00/25/03/654002503.db2.gz VNZAXDHVNHPPOU-UHFFFAOYSA-N 1 0 376.242 2.007 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000899223359 654005091 /nfs/dbraw/zinc/00/50/91/654005091.db2.gz FFBUZNWDGNRGDM-UHFFFAOYSA-N 1 0 388.253 2.023 20 0 GEADRO [NH2+]=C(NCCCN1CCOCC1)NCc1cc(Cl)cc(Br)c1 ZINC000849116894 654005329 /nfs/dbraw/zinc/00/53/29/654005329.db2.gz SWPZGHXKWSJWPN-UHFFFAOYSA-N 1 0 389.725 2.439 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@]2(C)CC2(Br)Br)CCOCC1 ZINC000827762338 654007397 /nfs/dbraw/zinc/00/73/97/654007397.db2.gz GWYKGOPURBSGAL-NSHDSACASA-N 1 0 398.139 2.110 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886898072 654008130 /nfs/dbraw/zinc/00/81/30/654008130.db2.gz QMCMSMUMKYJCNH-SNVBAGLBSA-N 1 0 388.358 2.237 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000886899667 654008285 /nfs/dbraw/zinc/00/82/85/654008285.db2.gz QRSFODVMSHNVNC-SUMWQHHRSA-N 1 0 385.555 2.100 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000886899245 654008434 /nfs/dbraw/zinc/00/84/34/654008434.db2.gz FSKQWRMSJICZGP-SECBINFHSA-N 1 0 397.831 2.041 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000886899649 654008460 /nfs/dbraw/zinc/00/84/60/654008460.db2.gz QCOHWSJDZNWFQO-KRWDZBQOSA-N 1 0 386.901 2.281 20 0 GEADRO C[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1cccc(SC(F)(F)F)c1 ZINC000886904274 654008640 /nfs/dbraw/zinc/00/86/40/654008640.db2.gz URFASDMOLYYWQI-PWSUYJOCSA-N 1 0 384.445 2.267 20 0 GEADRO CS(=O)(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1Cl ZINC000886948789 654010219 /nfs/dbraw/zinc/01/02/19/654010219.db2.gz RUXCBJNWQYWISX-VIFPVBQESA-N 1 0 381.832 2.110 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1I ZINC000867959549 654010767 /nfs/dbraw/zinc/01/07/67/654010767.db2.gz BQXNQDVUTQGPFG-PWSUYJOCSA-N 1 0 390.269 2.268 20 0 GEADRO CCCN(C(=O)c1cnn(C(C)C)c1I)[C@H]1CC[NH2+]C1 ZINC000867962435 654011099 /nfs/dbraw/zinc/01/10/99/654011099.db2.gz BASJKUSNTALANM-NSHDSACASA-N 1 0 390.269 2.283 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1I ZINC000867964939 654011373 /nfs/dbraw/zinc/01/13/73/654011373.db2.gz VOIRPTCURIYLKV-WDEREUQCSA-N 1 0 390.269 2.187 20 0 GEADRO CC(=O)N[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)c1cccc(Br)c1 ZINC000867968123 654011721 /nfs/dbraw/zinc/01/17/21/654011721.db2.gz XLARHYYHGUTGOC-OAHLLOKOSA-N 1 0 382.302 2.132 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC1 ZINC000886982089 654011985 /nfs/dbraw/zinc/01/19/85/654011985.db2.gz FVMOGMQIATURNV-UHFFFAOYSA-N 1 0 376.254 2.491 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1)C1CC1 ZINC000886982624 654012375 /nfs/dbraw/zinc/01/23/75/654012375.db2.gz WDWLHDSFFSJXFP-HNNXBMFYSA-N 1 0 376.254 2.394 20 0 GEADRO COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867976968 654012508 /nfs/dbraw/zinc/01/25/08/654012508.db2.gz XMURBKSDNQGTPQ-ZJUUUORDSA-N 1 0 383.164 2.059 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000867977918 654012539 /nfs/dbraw/zinc/01/25/39/654012539.db2.gz CLXJVFKAABVVQI-OAHLLOKOSA-N 1 0 386.233 2.268 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C1CC[NH2+]CC1 ZINC000868005290 654013799 /nfs/dbraw/zinc/01/37/99/654013799.db2.gz LWTNXXGCICOGDE-TZMCWYRMSA-N 1 0 394.313 2.306 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(SC)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000887007896 654014748 /nfs/dbraw/zinc/01/47/48/654014748.db2.gz VFEFFWNZATWLJK-LLVKDONJSA-N 1 0 386.315 2.320 20 0 GEADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000827982614 654014887 /nfs/dbraw/zinc/01/48/87/654014887.db2.gz ARXRLCOUIZQOFK-NTZNESFSSA-N 1 0 378.270 2.180 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000849348807 654015176 /nfs/dbraw/zinc/01/51/76/654015176.db2.gz CXSUKCHYLQZPFD-NWDGAFQWSA-N 1 0 388.452 2.247 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000887034547 654015922 /nfs/dbraw/zinc/01/59/22/654015922.db2.gz ZNOSASNZIFIKNX-SECBINFHSA-N 1 0 377.844 2.361 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)c2cc(F)c(Br)cc2F)CC1(C)C ZINC000868055170 654016435 /nfs/dbraw/zinc/01/64/35/654016435.db2.gz BIWVCRNBAAJINK-UHFFFAOYSA-N 1 0 390.272 2.483 20 0 GEADRO C[C@]1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000868075601 654017168 /nfs/dbraw/zinc/01/71/68/654017168.db2.gz MNJMRTSUYCTETI-YOEHRIQHSA-N 1 0 380.286 2.003 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)NCc2ccc(Br)cn2)CC1 ZINC000868104370 654018656 /nfs/dbraw/zinc/01/86/56/654018656.db2.gz YUHPDLGNFZDEQF-UHFFFAOYSA-N 1 0 398.349 2.061 20 0 GEADRO COc1ccc(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)c(I)c1 ZINC000868155396 654021045 /nfs/dbraw/zinc/02/10/45/654021045.db2.gz OJLVLXYNSOWVBJ-KYZUINATSA-N 1 0 375.210 2.159 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000849388804 654021131 /nfs/dbraw/zinc/02/11/31/654021131.db2.gz XSSSNLJZCSYMAQ-NSHDSACASA-N 1 0 379.295 2.492 20 0 GEADRO O=C(C[NH2+]C1(C2CC2)CCC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000887143946 654021311 /nfs/dbraw/zinc/02/13/11/654021311.db2.gz VOYLLXUQYHFKJR-HNNXBMFYSA-N 1 0 382.551 2.186 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1Br ZINC000868159514 654021390 /nfs/dbraw/zinc/02/13/90/654021390.db2.gz XZULUPIUMVTOCN-WCQYABFASA-N 1 0 381.274 2.167 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000828103227 654022043 /nfs/dbraw/zinc/02/20/43/654022043.db2.gz DXHPBMXCMCAGDY-QGZVFWFLSA-N 1 0 398.276 2.328 20 0 GEADRO C[NH+]1CCC(NC(=S)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000899617593 654024670 /nfs/dbraw/zinc/02/46/70/654024670.db2.gz LRHCRQKDPYYJCR-UHFFFAOYSA-N 1 0 384.347 2.177 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868249249 654025284 /nfs/dbraw/zinc/02/52/84/654025284.db2.gz WVHLOBAWSDIQGS-SSDOTTSWSA-N 1 0 393.079 2.004 20 0 GEADRO [NH3+][C@H]1CCCCCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000868258974 654025549 /nfs/dbraw/zinc/02/55/49/654025549.db2.gz CAOAKNSUAAQJRT-VIFPVBQESA-N 1 0 389.681 2.166 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)CSCC2 ZINC000868267885 654026440 /nfs/dbraw/zinc/02/64/40/654026440.db2.gz RVGADBNKMSVNMR-NSHDSACASA-N 1 0 386.543 2.326 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)nc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000849414557 654027493 /nfs/dbraw/zinc/02/74/93/654027493.db2.gz KTELBLMJEMTGAY-UHFFFAOYSA-N 1 0 387.933 2.045 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000828196135 654028213 /nfs/dbraw/zinc/02/82/13/654028213.db2.gz NQRUHYIXXCKPEF-UHFFFAOYSA-N 1 0 382.302 2.250 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)C1 ZINC000868313424 654030477 /nfs/dbraw/zinc/03/04/77/654030477.db2.gz LMFVLHBNKCICCL-KRWDZBQOSA-N 1 0 382.555 2.094 20 0 GEADRO CN(CCC[NH3+])Cc1cn([C@H]2CCOc3ccc(Br)cc32)nn1 ZINC000899738760 654030514 /nfs/dbraw/zinc/03/05/14/654030514.db2.gz FOUQPFVFBWXSEL-HNNXBMFYSA-N 1 0 380.290 2.193 20 0 GEADRO C[N@H+](CCO)CCNC(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC000899739407 654031174 /nfs/dbraw/zinc/03/11/74/654031174.db2.gz XJNRUQOPACHFTP-UHFFFAOYSA-N 1 0 397.235 2.441 20 0 GEADRO C[N@H+](CCO)CCNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000899741503 654031350 /nfs/dbraw/zinc/03/13/50/654031350.db2.gz CYPONZPAIXKQBM-UHFFFAOYSA-N 1 0 375.694 2.174 20 0 GEADRO O=C(NCc1cn(-c2ccc(Cl)c(Br)c2)nn1)C1CC[NH2+]CC1 ZINC000899746871 654031762 /nfs/dbraw/zinc/03/17/62/654031762.db2.gz NGFRTHVBJFOPBH-UHFFFAOYSA-N 1 0 398.692 2.299 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000849429460 654032465 /nfs/dbraw/zinc/03/24/65/654032465.db2.gz QRJMDOZFTXUBAM-NSHDSACASA-N 1 0 379.320 2.217 20 0 GEADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc[nH]c(=O)c1Br ZINC000899809193 654033007 /nfs/dbraw/zinc/03/30/07/654033007.db2.gz LOMMBHBIMKSXOH-NSHDSACASA-N 1 0 377.242 2.296 20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(I)c[nH]1 ZINC000899811888 654033013 /nfs/dbraw/zinc/03/30/13/654033013.db2.gz YSULHPDGCSHSLB-LLVKDONJSA-N 1 0 396.232 2.365 20 0 GEADRO Nc1cc(Cl)c(Cl)cc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000797483358 654034442 /nfs/dbraw/zinc/03/44/42/654034442.db2.gz DLSWYSSCODTWGA-UHFFFAOYSA-N 1 0 386.279 2.475 20 0 GEADRO [NH3+][C@H]1CCCN(Cc2cn(CC(=O)Nc3ccc(Cl)cc3Cl)nn2)C1 ZINC000887432494 654034584 /nfs/dbraw/zinc/03/45/84/654034584.db2.gz OOSUAMGAKVYWRE-LBPRGKRZSA-N 1 0 383.283 2.147 20 0 GEADRO COc1ccc(Br)cc1Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887436152 654034917 /nfs/dbraw/zinc/03/49/17/654034917.db2.gz CXQNTOJPUSRRBZ-CQSZACIVSA-N 1 0 380.290 2.021 20 0 GEADRO CSc1ccc(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)cc1 ZINC000899872583 654035226 /nfs/dbraw/zinc/03/52/26/654035226.db2.gz CDBAAJBMKCTNLJ-INIZCTEOSA-N 1 0 386.583 2.500 20 0 GEADRO C[NH+]1CCC2(CCN2C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000899911386 654036528 /nfs/dbraw/zinc/03/65/28/654036528.db2.gz TVEGQZFZSFAMJW-HNNXBMFYSA-N 1 0 387.293 2.498 20 0 GEADRO C[NH+]1CCC(C(=O)N2CCC(O)(c3scnc3Br)CC2)CC1 ZINC000797773029 654041323 /nfs/dbraw/zinc/04/13/23/654041323.db2.gz CDYWTGMRFQLKGK-UHFFFAOYSA-N 1 0 388.331 2.057 20 0 GEADRO COc1ccc(Br)cc1CN(C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000899953105 654042271 /nfs/dbraw/zinc/04/22/71/654042271.db2.gz DXKGDMKLTLPLDH-QGZVFWFLSA-N 1 0 385.302 2.263 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCCCn3cc(Br)cn3)CC[C@@H]21 ZINC000868558890 654043393 /nfs/dbraw/zinc/04/33/93/654043393.db2.gz PSGIYKZQNZDIHG-ZFWWWQNUSA-N 1 0 384.322 2.161 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)c2csc(I)n2)CC[N@@H+]1C ZINC000828595727 654043669 /nfs/dbraw/zinc/04/36/69/654043669.db2.gz MNJURXCROSHUFN-DTWKUNHWSA-N 1 0 379.267 2.302 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)c1cccc(Br)c1 ZINC000868567525 654043748 /nfs/dbraw/zinc/04/37/48/654043748.db2.gz VDAMYKKXOTWTRR-UVBJJODRSA-N 1 0 382.302 2.177 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000899982105 654044721 /nfs/dbraw/zinc/04/47/21/654044721.db2.gz GRFSJJPAHRRNJX-LBPRGKRZSA-N 1 0 387.311 2.499 20 0 GEADRO COc1ccc([C@H](C)NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1Br ZINC000900012192 654046497 /nfs/dbraw/zinc/04/64/97/654046497.db2.gz CKSVQHRKSALIAC-YVEFUNNKSA-N 1 0 385.302 2.482 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000797957829 654047481 /nfs/dbraw/zinc/04/74/81/654047481.db2.gz UHHMJANUFPTXGU-GJZGRUSLSA-N 1 0 380.501 2.169 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000900046578 654047694 /nfs/dbraw/zinc/04/76/94/654047694.db2.gz OPQQMVBJTQFUMY-QWHCGFSZSA-N 1 0 377.539 2.381 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)([NH+](C)C)C1 ZINC000798320518 654058579 /nfs/dbraw/zinc/05/85/79/654058579.db2.gz QUJSZQQOMHWAFB-YVEFUNNKSA-N 1 0 387.933 2.228 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000900323928 654059254 /nfs/dbraw/zinc/05/92/54/654059254.db2.gz VXWIFBYOZHWHSP-NTZNESFSSA-N 1 0 376.341 2.423 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)C[C@]2(C)C1 ZINC000887934807 654059517 /nfs/dbraw/zinc/05/95/17/654059517.db2.gz VPGALSYXMLPIEK-PXAZEXFGSA-N 1 0 381.270 2.244 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000900338774 654059881 /nfs/dbraw/zinc/05/98/81/654059881.db2.gz HPZVJGWXFPMZRQ-WMLDXEAASA-N 1 0 383.286 2.236 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000829208021 654062079 /nfs/dbraw/zinc/06/20/79/654062079.db2.gz MXAMSBXQYMFJPX-GFCCVEGCSA-N 1 0 378.416 2.394 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000829226549 654062659 /nfs/dbraw/zinc/06/26/59/654062659.db2.gz QWTNCTUOTHBQNY-HNNXBMFYSA-N 1 0 382.302 2.041 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)NCCOc1ccc(Br)cc1 ZINC000900413197 654062873 /nfs/dbraw/zinc/06/28/73/654062873.db2.gz SHXPXHSAMXAEHV-UHFFFAOYSA-N 1 0 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NS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1Br ZINC000850374408 654073789 /nfs/dbraw/zinc/07/37/89/654073789.db2.gz MAOBZWGZXFEXGY-HUUCEWRRSA-N 1 0 397.294 2.365 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1Br ZINC000869236491 654080110 /nfs/dbraw/zinc/08/01/10/654080110.db2.gz APSKTURZAFJCOQ-ZDUSSCGKSA-N 1 0 388.354 2.228 20 0 GEADRO CCN(C(=O)[C@H](NC(C)=O)c1cccc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000869239153 654080301 /nfs/dbraw/zinc/08/03/01/654080301.db2.gz LNESJYHQRGJCCD-HZPDHXFCSA-N 1 0 382.302 2.179 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c[nH]nc1Cl)c1cccc(OC)c1 ZINC000829833414 654081569 /nfs/dbraw/zinc/08/15/69/654081569.db2.gz DUGPBPMOTBWHHZ-CQSZACIVSA-N 1 0 386.905 2.433 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900803956 654081601 /nfs/dbraw/zinc/08/16/01/654081601.db2.gz JZQJUPNASCFNON-TZMCWYRMSA-N 1 0 384.318 2.130 20 0 GEADRO C[C@H](NC(=O)c1cc(F)c(Br)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000900807445 654082130 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OLGKFTKLFNDDBP-WPGHFRTFSA-N 1 0 382.302 2.212 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000870942255 654210778 /nfs/dbraw/zinc/21/07/78/654210778.db2.gz JLJNIHDSDSXGRX-CJNGLKHVSA-N 1 0 382.302 2.214 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903029549 654211125 /nfs/dbraw/zinc/21/11/25/654211125.db2.gz AUGMSMACLJTISX-GJZGRUSLSA-N 1 0 393.285 2.165 20 0 GEADRO O=C1C[C@@H](C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CN1 ZINC000852004713 654212209 /nfs/dbraw/zinc/21/22/09/654212209.db2.gz SGKHOZOAKIOOIS-QPUJVOFHSA-N 1 0 381.192 2.227 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(F)c3Br)C2)C1 ZINC000890297233 654213233 /nfs/dbraw/zinc/21/32/33/654213233.db2.gz LBHVFWSADFLDMX-MRXNPFEDSA-N 1 0 384.249 2.081 20 0 GEADRO NC(=O)[C@](O)(C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1)c1ccccc1 ZINC000852021335 654213792 /nfs/dbraw/zinc/21/37/92/654213792.db2.gz FIBLYZXFYUJKGI-AEFFLSMTSA-N 1 0 390.281 2.354 20 0 GEADRO CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870957574 654214267 /nfs/dbraw/zinc/21/42/67/654214267.db2.gz OLLGMECRYDQPBO-ZFWWWQNUSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCn1cnc(Br)n1 ZINC000852034729 654214593 /nfs/dbraw/zinc/21/45/93/654214593.db2.gz DZMGUISYWJUVAA-VXGBXAGGSA-N 1 0 388.310 2.276 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000870967572 654214658 /nfs/dbraw/zinc/21/46/58/654214658.db2.gz CBVBARPQXQVHBO-DRQUAOQDSA-N 1 0 394.313 2.155 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)CCCOc2ccc(I)cc2)C1 ZINC000870967827 654214844 /nfs/dbraw/zinc/21/48/44/654214844.db2.gz DFCBFIJRZJGZAH-BJHJDKERSA-N 1 0 388.249 2.304 20 0 GEADRO COC(=O)C[C@](C)([NH2+]CCn1cnc(Br)n1)c1cccc(F)c1 ZINC000852045225 654214782 /nfs/dbraw/zinc/21/47/82/654214782.db2.gz UKHIPYHJKOLXJH-HNNXBMFYSA-N 1 0 385.237 2.248 20 0 GEADRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903069662 654214990 /nfs/dbraw/zinc/21/49/90/654214990.db2.gz YCPYXAOAEBNPNM-OLZOCXBDSA-N 1 0 380.432 2.351 20 0 GEADRO C[C@H](NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000870987278 654215290 /nfs/dbraw/zinc/21/52/90/654215290.db2.gz XCVHVILXQAMQIL-NSHDSACASA-N 1 0 379.917 2.392 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000870995419 654215351 /nfs/dbraw/zinc/21/53/51/654215351.db2.gz LXAWIGJOIMMYEP-GOSISDBHSA-N 1 0 396.329 2.402 20 0 GEADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](CCn2cnc(Br)n2)C1 ZINC000852054514 654215548 /nfs/dbraw/zinc/21/55/48/654215548.db2.gz YLVDSIAZFNBFPM-INIZCTEOSA-N 1 0 383.265 2.107 20 0 GEADRO Cc1ccc([C@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[NH+](C)C)cc1 ZINC000852059934 654215919 /nfs/dbraw/zinc/21/59/19/654215919.db2.gz PNZCKNHIXDRHQR-SXBQZSJRSA-N 1 0 379.448 2.208 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[S@@](=O)CC(F)(F)F)C1 ZINC000852090363 654217344 /nfs/dbraw/zinc/21/73/44/654217344.db2.gz ZNNQPLQRRPDEAG-YMXBGEKHSA-N 1 0 385.496 2.497 20 0 GEADRO Brc1ccc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)c(N2CCOCC2)c1 ZINC000903124580 654218992 /nfs/dbraw/zinc/21/89/92/654218992.db2.gz HMAYPRZVUGAZOI-QZTJIDSGSA-N 1 0 397.313 2.323 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cnn(CC2CCC2)c1 ZINC000903127796 654219384 /nfs/dbraw/zinc/21/93/84/654219384.db2.gz LSMWTGKRNPCJLH-BBRMVZONSA-N 1 0 383.539 2.230 20 0 GEADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCNC(=O)[C@H]2c2cccs2)cc(Cl)n1 ZINC000831960355 654220116 /nfs/dbraw/zinc/22/01/16/654220116.db2.gz KOIUCRGWSGWATA-BLLLJJGKSA-N 1 0 378.885 2.195 20 0 GEADRO C[C@](CO)([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000852144100 654220812 /nfs/dbraw/zinc/22/08/12/654220812.db2.gz WHRHUDGXZDACOE-MSOLQXFVSA-N 1 0 383.275 2.164 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@]23CCOC3)cc1C(F)(F)F ZINC000903159451 654222640 /nfs/dbraw/zinc/22/26/40/654222640.db2.gz OVVZJZNFJBVHMV-CABCVRRESA-N 1 0 379.400 2.147 20 0 GEADRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000903165891 654222998 /nfs/dbraw/zinc/22/29/98/654222998.db2.gz XRZWMGFLIVTGQD-LLVKDONJSA-N 1 0 376.404 2.209 20 0 GEADRO Ic1ccc(OCC[NH2+][C@H]2CCO[C@]23CCOC3)cc1 ZINC000903166100 654223434 /nfs/dbraw/zinc/22/34/34/654223434.db2.gz QOEINWCZILVIBM-GJZGRUSLSA-N 1 0 389.233 2.208 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903170867 654224009 /nfs/dbraw/zinc/22/40/09/654224009.db2.gz KMQHIYPNNULBQY-NWDGAFQWSA-N 1 0 399.456 2.456 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)CCC2 ZINC000903175644 654224314 /nfs/dbraw/zinc/22/43/14/654224314.db2.gz IMAPHGGISIKMAV-GLQYFDAESA-N 1 0 378.416 2.411 20 0 GEADRO Brc1ncn(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000852190332 654224659 /nfs/dbraw/zinc/22/46/59/654224659.db2.gz JPOZXKBKMOHDAO-JKSUJKDBSA-N 1 0 376.302 2.247 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903186090 654224812 /nfs/dbraw/zinc/22/48/12/654224812.db2.gz IEBHOLZDCUFYIM-JCGIZDLHSA-N 1 0 384.314 2.446 20 0 GEADRO OC[C@H](C[NH2+][C@H]1CCO[C@]12CCOC2)Cc1cc(Br)ccc1F ZINC000903185298 654224924 /nfs/dbraw/zinc/22/49/24/654224924.db2.gz CWFCEZAWNKDFDE-ZLIFDBKOSA-N 1 0 388.277 2.277 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000903203490 654226030 /nfs/dbraw/zinc/22/60/30/654226030.db2.gz AHCODGNAJSQHKL-UHFFFAOYSA-N 1 0 389.315 2.317 20 0 GEADRO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903213610 654227543 /nfs/dbraw/zinc/22/75/43/654227543.db2.gz NRNQZIHGPCYCAJ-NXEZZACHSA-N 1 0 394.324 2.160 20 0 GEADRO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903213611 654227708 /nfs/dbraw/zinc/22/77/08/654227708.db2.gz NRNQZIHGPCYCAJ-UWVGGRQHSA-N 1 0 394.324 2.160 20 0 GEADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903230187 654230366 /nfs/dbraw/zinc/23/03/66/654230366.db2.gz WQNPYKWYULOEIJ-GFCCVEGCSA-N 1 0 398.497 2.256 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000903273382 654231973 /nfs/dbraw/zinc/23/19/73/654231973.db2.gz YCPVICQRXFPWSE-USXIJHARSA-N 1 0 383.583 2.181 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903272612 654232123 /nfs/dbraw/zinc/23/21/23/654232123.db2.gz WZJAVABQFIIFMW-WBAXXEDZSA-N 1 0 383.583 2.167 20 0 GEADRO Cn1nnnc1CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000903348584 654234869 /nfs/dbraw/zinc/23/48/69/654234869.db2.gz GONTYAGPGFEUQB-GDBMZVCRSA-N 1 0 380.290 2.415 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1Br ZINC000903366242 654236257 /nfs/dbraw/zinc/23/62/57/654236257.db2.gz CTLCZFOPHNDJSS-XHDPSFHLSA-N 1 0 392.315 2.312 20 0 GEADRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000852432356 654239250 /nfs/dbraw/zinc/23/92/50/654239250.db2.gz YUQCBWAILIGFBV-NEPJUHHUSA-N 1 0 375.252 2.260 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc(-n2cnnn2)cc1 ZINC000903480638 654240294 /nfs/dbraw/zinc/24/02/94/654240294.db2.gz YVTIMVKOQPNUJW-WCQYABFASA-N 1 0 388.273 2.287 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C)c1F ZINC000903492015 654240921 /nfs/dbraw/zinc/24/09/21/654240921.db2.gz ALKBTQGFIGBSOW-ZDUSSCGKSA-N 1 0 383.283 2.249 20 0 GEADRO COc1cc(S(=O)(=O)N[C@](C)(C[NH3+])C(C)C)c(OC)cc1Br ZINC000903493555 654241515 /nfs/dbraw/zinc/24/15/15/654241515.db2.gz QXRQYIDXOKWFJR-CQSZACIVSA-N 1 0 395.319 2.118 20 0 GEADRO CC1([NH+]2CCCC2)CCC(NS(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000921272658 654242030 /nfs/dbraw/zinc/24/20/30/654242030.db2.gz QSGBPUUWFVOETO-UHFFFAOYSA-N 1 0 391.335 2.248 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903499473 654242328 /nfs/dbraw/zinc/24/23/28/654242328.db2.gz JUHUXXYXPFAAJM-ZWNOBZJWSA-N 1 0 384.299 2.303 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903514882 654245301 /nfs/dbraw/zinc/24/53/01/654245301.db2.gz HGDFYIWDWZPNHB-TZMCWYRMSA-N 1 0 384.299 2.445 20 0 GEADRO CN(c1cccc(CNC(=O)c2sccc2C[NH+](C)C)c1)S(C)(=O)=O ZINC000890859885 654245358 /nfs/dbraw/zinc/24/53/58/654245358.db2.gz WCMZTSBCNMBORZ-UHFFFAOYSA-N 1 0 381.523 2.136 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000903517881 654246383 /nfs/dbraw/zinc/24/63/83/654246383.db2.gz HBPKVYFXGVGLRA-OAHLLOKOSA-N 1 0 391.306 2.494 20 0 GEADRO C[C@H](NC(=O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000903518292 654246870 /nfs/dbraw/zinc/24/68/70/654246870.db2.gz JDBSYGBHGJRXIW-ZWKOPEQDSA-N 1 0 394.235 2.448 20 0 GEADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903519063 654247371 /nfs/dbraw/zinc/24/73/71/654247371.db2.gz VTVOMXWJERXVAK-PHIMTYICSA-N 1 0 379.707 2.084 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@H]1F ZINC000903524975 654249162 /nfs/dbraw/zinc/24/91/62/654249162.db2.gz HYRFVYCEVWNLAW-GHMZBOCLSA-N 1 0 385.686 2.303 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@H]1CC[NH2+]C12CCC2 ZINC000903525284 654249416 /nfs/dbraw/zinc/24/94/16/654249416.db2.gz ROBZBPAFSJOXOP-LBPRGKRZSA-N 1 0 377.279 2.292 20 0 GEADRO O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1Cc1scnc1Cl ZINC000871668492 654250882 /nfs/dbraw/zinc/25/08/82/654250882.db2.gz ZPIDAFXKCBOHHI-QGZVFWFLSA-N 1 0 376.869 2.493 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903538250 654251461 /nfs/dbraw/zinc/25/14/61/654251461.db2.gz AFILUEUSRXHYRY-DLOVCJGASA-N 1 0 398.198 2.326 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000903538027 654251468 /nfs/dbraw/zinc/25/14/68/654251468.db2.gz LFADBLMGFFYGCV-UHFFFAOYSA-N 1 0 397.722 2.231 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)cc1Cl ZINC000903541689 654252323 /nfs/dbraw/zinc/25/23/23/654252323.db2.gz ARPCGSOGGQKFPK-UHFFFAOYSA-N 1 0 383.297 2.130 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000903542747 654252564 /nfs/dbraw/zinc/25/25/64/654252564.db2.gz KUGDILFEUUCOCE-WDZFZDKYSA-N 1 0 389.315 2.189 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000903544857 654252908 /nfs/dbraw/zinc/25/29/08/654252908.db2.gz KOBIMFHHVREXAM-JTQLQIEISA-N 1 0 384.445 2.204 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903548411 654253706 /nfs/dbraw/zinc/25/37/06/654253706.db2.gz MCSNGPHUJNHTBF-NXEZZACHSA-N 1 0 395.294 2.121 20 0 GEADRO C[N@@H+]1CCCN(C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000890969750 654254240 /nfs/dbraw/zinc/25/42/40/654254240.db2.gz MUMXDWFMWGTDQB-UHFFFAOYSA-N 1 0 392.301 2.482 20 0 GEADRO CN(CC[NH+](C)C)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000890972262 654254303 /nfs/dbraw/zinc/25/43/03/654254303.db2.gz REFBMRNCIRJDGR-UHFFFAOYSA-N 1 0 380.290 2.338 20 0 GEADRO [NH3+][C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000903550817 654254520 /nfs/dbraw/zinc/25/45/20/654254520.db2.gz ODUVAFLVWQYDJH-HZPDHXFCSA-N 1 0 381.295 2.493 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903556147 654255337 /nfs/dbraw/zinc/25/53/37/654255337.db2.gz OKCXEKDIORFCKH-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903558971 654255563 /nfs/dbraw/zinc/25/55/63/654255563.db2.gz WVLCIVIWJGCYTG-NXEZZACHSA-N 1 0 395.294 2.202 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000832266130 654255978 /nfs/dbraw/zinc/25/59/78/654255978.db2.gz VLFZHTPMZFVJOK-SMDDNHRTSA-N 1 0 381.885 2.221 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C[C@H]1C2(Br)Br ZINC000852901772 654266609 /nfs/dbraw/zinc/26/66/09/654266609.db2.gz RAAZDZZLQLNNBO-JULQROHOSA-N 1 0 392.135 2.341 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000903570898 654257932 /nfs/dbraw/zinc/25/79/32/654257932.db2.gz HPGSSKDUESXXON-ZKCHVHJHSA-N 1 0 387.221 2.484 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCC2(n3cc(Br)cn3)CC2)C[N@@H+]1C1CC1 ZINC000921384330 654257909 /nfs/dbraw/zinc/25/79/09/654257909.db2.gz MSGUULUTSNLQDA-YPMHNXCESA-N 1 0 382.306 2.059 20 0 GEADRO COC(=O)c1c(F)ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1F ZINC000832299199 654258010 /nfs/dbraw/zinc/25/80/10/654258010.db2.gz ZECNBNIVJXZTDA-UHFFFAOYSA-N 1 0 378.441 2.150 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903572392 654258266 /nfs/dbraw/zinc/25/82/66/654258266.db2.gz NKEWGHDXWWHKEG-PSASIEDQSA-N 1 0 387.221 2.268 20 0 GEADRO Cc1nc(C)c(S(=O)(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903573423 654258656 /nfs/dbraw/zinc/25/86/56/654258656.db2.gz IHURCOUHNXSKDV-YOEHRIQHSA-N 1 0 379.507 2.294 20 0 GEADRO O=C(CC[C@H]1CC1(Cl)Cl)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000852771783 654259867 /nfs/dbraw/zinc/25/98/67/654259867.db2.gz CTAMPGQCOVYSGY-MELADBBJSA-N 1 0 376.328 2.067 20 0 GEADRO O=C(CC[C@@H]1CC1(Cl)Cl)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000852771775 654259951 /nfs/dbraw/zinc/25/99/51/654259951.db2.gz CTAMPGQCOVYSGY-BFHYXJOUSA-N 1 0 376.328 2.067 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000903577264 654259987 /nfs/dbraw/zinc/25/99/87/654259987.db2.gz HXNKTKVTJKUZEH-WPRPVWTQSA-N 1 0 387.221 2.349 20 0 GEADRO COC(=O)NC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000852772193 654260259 /nfs/dbraw/zinc/26/02/59/654260259.db2.gz YSFCXUCSQHQWND-AWEZNQCLSA-N 1 0 387.274 2.009 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000903578046 654260516 /nfs/dbraw/zinc/26/05/16/654260516.db2.gz AYZAMRINAZWWER-CMPLNLGQSA-N 1 0 399.822 2.199 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(SC(F)(F)F)c2)C1 ZINC000852794135 654260717 /nfs/dbraw/zinc/26/07/17/654260717.db2.gz MBTHAAODMYWONQ-GFCCVEGCSA-N 1 0 375.416 2.226 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N[C@H]3CC[NH2+]C34CCC4)cc2N1 ZINC000871805636 654261316 /nfs/dbraw/zinc/26/13/16/654261316.db2.gz MYYSCMSGVOVQQZ-HNNXBMFYSA-N 1 0 383.901 2.178 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC[C@@H]1C(F)(F)F ZINC000903581677 654262013 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GEADRO [NH3+]C1(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CCCC1 ZINC000852852805 654263359 /nfs/dbraw/zinc/26/33/59/654263359.db2.gz JRNONJLOWZUISQ-UHFFFAOYSA-N 1 0 385.917 2.126 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000852842043 654263393 /nfs/dbraw/zinc/26/33/93/654263393.db2.gz VVBATOSHMQIWMM-UHFFFAOYSA-N 1 0 375.922 2.180 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1C(F)(F)F ZINC000871813372 654263615 /nfs/dbraw/zinc/26/36/15/654263615.db2.gz IEFUDIIVXPQECV-RNFRBKRXSA-N 1 0 378.203 2.146 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@H]1C(F)(F)F ZINC000871814077 654263938 /nfs/dbraw/zinc/26/39/38/654263938.db2.gz OUDDTMYBVXNAJJ-JOYOIKCWSA-N 1 0 388.358 2.088 20 0 GEADRO CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C[C@H]1[NH3+] ZINC000903587100 654263988 /nfs/dbraw/zinc/26/39/88/654263988.db2.gz PFWFMAKRBIQSSL-MLGOLLRUSA-N 1 0 388.917 2.113 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N(Cc1nc2ccccc2s1)C1CC1 ZINC000903587864 654264062 /nfs/dbraw/zinc/26/40/62/654264062.db2.gz DDSPXGFIKPWJQU-UHFFFAOYSA-N 1 0 380.539 2.189 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903587760 654264145 /nfs/dbraw/zinc/26/41/45/654264145.db2.gz AZNPXASQDBWTJW-XHDPSFHLSA-N 1 0 388.331 2.017 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)c1cccn2c(I)cnc12 ZINC000852867950 654264451 /nfs/dbraw/zinc/26/44/51/654264451.db2.gz IPLBGNUAQSNBIX-LLVKDONJSA-N 1 0 386.237 2.042 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000871816128 654264715 /nfs/dbraw/zinc/26/47/15/654264715.db2.gz BVWASUSERMLJOX-ZIAGYGMSSA-N 1 0 375.288 2.021 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000903590070 654264890 /nfs/dbraw/zinc/26/48/90/654264890.db2.gz LIGOKYOHZXVXBT-UHFFFAOYSA-N 1 0 392.319 2.026 20 0 GEADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000852882544 654265196 /nfs/dbraw/zinc/26/51/96/654265196.db2.gz KZAXUUYXSDRWOA-SWLSCSKDSA-N 1 0 375.270 2.459 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cnn(-c2ccccc2)c1Br ZINC000852881092 654265417 /nfs/dbraw/zinc/26/54/17/654265417.db2.gz HFNGUMVUBAUIEB-LBPRGKRZSA-N 1 0 385.212 2.362 20 0 GEADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852886944 654265667 /nfs/dbraw/zinc/26/56/67/654265667.db2.gz AABGPFYGYTZRKN-VIFPVBQESA-N 1 0 385.218 2.060 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000871819303 654265804 /nfs/dbraw/zinc/26/58/04/654265804.db2.gz SKNKZCMJERPUIF-ZDUSSCGKSA-N 1 0 386.539 2.434 20 0 GEADRO C[C@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc2)C1 ZINC000903618642 654268086 /nfs/dbraw/zinc/26/80/86/654268086.db2.gz NTPXACRPMPPNQE-LFPIHBKWSA-N 1 0 388.559 2.150 20 0 GEADRO O=C(C=C1CC[NH2+]CC1)Nc1nc2cc(I)ccc2[nH]1 ZINC000852916293 654268354 /nfs/dbraw/zinc/26/83/54/654268354.db2.gz CJRZQZJDLBBDJN-UHFFFAOYSA-N 1 0 382.205 2.416 20 0 GEADRO CC[NH+]1CCC(NC(=O)CCNC(=O)c2ccsc2)(C(F)(F)F)CC1 ZINC000891206276 654271766 /nfs/dbraw/zinc/27/17/66/654271766.db2.gz HSHLXJWCYJQFND-UHFFFAOYSA-N 1 0 377.432 2.401 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2cn(C)nc2Br)(C(F)(F)F)CC1 ZINC000891212182 654271888 /nfs/dbraw/zinc/27/18/88/654271888.db2.gz NQRSDCXELYBANB-UHFFFAOYSA-N 1 0 383.212 2.329 20 0 GEADRO COc1ccc([C@@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)cc1 ZINC000921479760 654272570 /nfs/dbraw/zinc/27/25/70/654272570.db2.gz RARJISRAOFIRJB-OAHLLOKOSA-N 1 0 395.301 2.344 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000891259610 654277478 /nfs/dbraw/zinc/27/74/78/654277478.db2.gz QSIGDZOWILWPMN-LALPHHSUSA-N 1 0 384.464 2.121 20 0 GEADRO CN(C)c1cccc2c1cccc2S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000853081430 654277734 /nfs/dbraw/zinc/27/77/34/654277734.db2.gz PUXJATZCYXWECA-OAHLLOKOSA-N 1 0 375.416 2.416 20 0 GEADRO C[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)N1CCN(c2ccccc2)CC1 ZINC000921528572 654278566 /nfs/dbraw/zinc/27/85/66/654278566.db2.gz ARQGZKHTMBWARD-AWEZNQCLSA-N 1 0 378.318 2.473 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000921528965 654278602 /nfs/dbraw/zinc/27/86/02/654278602.db2.gz YAWJJZUNMLRIDB-HZSPNIEDSA-N 1 0 381.464 2.054 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(O)CCC(C)CC1 ZINC000853092111 654278632 /nfs/dbraw/zinc/27/86/32/654278632.db2.gz BASGGECETGRPIL-TVIZTDCDSA-N 1 0 389.949 2.235 20 0 GEADRO C[C@H](C[NH2+]Cc1nc(Br)c[nH]1)N1CCN(c2ccccc2)CC1 ZINC000921528573 654278650 /nfs/dbraw/zinc/27/86/50/654278650.db2.gz ARQGZKHTMBWARD-CQSZACIVSA-N 1 0 378.318 2.473 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)c2ccccn2)s1 ZINC000853098034 654279150 /nfs/dbraw/zinc/27/91/50/654279150.db2.gz DYOJOSZJWXOBDY-INIZCTEOSA-N 1 0 383.539 2.039 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853110939 654279709 /nfs/dbraw/zinc/27/97/09/654279709.db2.gz MJZJBWALFFFIAD-CXAGYDPISA-N 1 0 395.297 2.327 20 0 GEADRO OCCN(Cc1cc(Br)ccc1F)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725563 654281531 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[NH3+][C@@H](CC(F)F)CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000903904158 654290859 /nfs/dbraw/zinc/29/08/59/654290859.db2.gz PZCDDSSHNRNNAS-PWSUYJOCSA-N 1 0 391.260 2.477 20 0 GEADRO COC[C@@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000903937225 654292558 /nfs/dbraw/zinc/29/25/58/654292558.db2.gz FJVDAQHWAFUGHD-NVXWUHKLSA-N 1 0 394.317 2.442 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000832743402 654292861 /nfs/dbraw/zinc/29/28/61/654292861.db2.gz YAZBDCHQCOFDPR-NWDGAFQWSA-N 1 0 378.274 2.229 20 0 GEADRO Cn1c(Sc2ccc3c(c2)S(=O)(=O)N=C3Cl)nnc1C1CC[NH2+]CC1 ZINC000853347361 654293139 /nfs/dbraw/zinc/29/31/39/654293139.db2.gz IUJRFBHXTAGWGG-UHFFFAOYSA-N 1 0 397.913 2.121 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000832755948 654293478 /nfs/dbraw/zinc/29/34/78/654293478.db2.gz HEBYZQGMVLQLCM-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO Brc1cc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc2c1OCO2 ZINC000903973535 654293919 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[NH3+]CC(=O)N1CCC[C@@H](CN2CCc3cc(Br)c(F)cc3C2)C1 ZINC000904428462 654310311 /nfs/dbraw/zinc/31/03/11/654310311.db2.gz LTNFNFKXFLMVKX-LBPRGKRZSA-N 1 0 384.293 2.144 20 0 GEADRO COC(=O)c1cccc(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c1Br ZINC000904449532 654311047 /nfs/dbraw/zinc/31/10/47/654311047.db2.gz KAJIEZYHSLTFEF-QFYYESIMSA-N 1 0 382.258 2.499 20 0 GEADRO CS(=O)(=O)c1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000904474088 654312178 /nfs/dbraw/zinc/31/21/78/654312178.db2.gz TUXKZPWRUXQDHV-CRAIPNDOSA-N 1 0 378.519 2.497 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)c1Br ZINC000904473944 654312203 /nfs/dbraw/zinc/31/22/03/654312203.db2.gz VXDRVQZYJNRYQC-INIZCTEOSA-N 1 0 381.274 2.169 20 0 GEADRO NC(=O)[C@@H](c1cccc(Br)c1)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872152424 654314796 /nfs/dbraw/zinc/31/47/96/654314796.db2.gz RAYFTIDDLIPDNE-YUSALJHKSA-N 1 0 380.208 2.045 20 0 GEADRO C[C@H](O)CN1CCN(c2cc(Br)cnc2Br)[C@H](C)C1 ZINC000804624111 654315460 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Cn1ncc(-c2noc(-c3ccc4c(c3)OCC[NH2+]C4)n2)c1Br ZINC000904696800 654317027 /nfs/dbraw/zinc/31/70/27/654317027.db2.gz YWBHNEGXOCFKQA-UHFFFAOYSA-N 1 0 376.214 2.382 20 0 GEADRO C[C@@](O)(C[NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000834353279 654318661 /nfs/dbraw/zinc/31/86/61/654318661.db2.gz GGIMBKNRSGBUFO-GXFFZTMASA-N 1 0 382.707 2.087 20 0 GEADRO [NH3+][C@@H]1CCCCCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000891923278 654318765 /nfs/dbraw/zinc/31/87/65/654318765.db2.gz YORJLAZLFBTQRO-OAHLLOKOSA-N 1 0 387.933 2.417 20 0 GEADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c(I)cnn1C ZINC000872242791 654319594 /nfs/dbraw/zinc/31/95/94/654319594.db2.gz OAZJFJIKIWEVQX-ABAIWWIYSA-N 1 0 385.249 2.279 20 0 GEADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)NCC1CC[NH2+]CC1 ZINC000891977178 654321669 /nfs/dbraw/zinc/32/16/69/654321669.db2.gz XXRBKSDYUOSACU-UHFFFAOYSA-N 1 0 392.301 2.434 20 0 GEADRO CC1(C)CC[NH2+]CCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000872293685 654321815 /nfs/dbraw/zinc/32/18/15/654321815.db2.gz FTUILRDOMDSRCC-UHFFFAOYSA-N 1 0 378.274 2.244 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[NH2+]CCC1(C)C)c1cccc(Br)c1 ZINC000872300556 654322160 /nfs/dbraw/zinc/32/21/60/654322160.db2.gz KPWOHCKCOMAEAA-HNNXBMFYSA-N 1 0 382.302 2.227 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)N(C2CC2)C2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000904925903 654324627 /nfs/dbraw/zinc/32/46/27/654324627.db2.gz OBRYXOZNKDWDIB-HNNXBMFYSA-N 1 0 377.432 2.335 20 0 GEADRO C[NH+]1CCN(CCOc2ccc(NCc3nc(Br)c[nH]3)cc2)CC1 ZINC000921799377 654325129 /nfs/dbraw/zinc/32/51/29/654325129.db2.gz NFLFTBWUGNGUAJ-UHFFFAOYSA-N 1 0 394.317 2.411 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000904969822 654325959 /nfs/dbraw/zinc/32/59/59/654325959.db2.gz DCXJDFGJPGJDFD-RDTXWAMCSA-N 1 0 394.313 2.137 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000904973816 654325977 /nfs/dbraw/zinc/32/59/77/654325977.db2.gz RARKDVDHYVEALS-RDTXWAMCSA-N 1 0 394.313 2.137 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000834456215 654326601 /nfs/dbraw/zinc/32/66/01/654326601.db2.gz ADWDDFUQGFJLFP-NEPJUHHUSA-N 1 0 378.523 2.124 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)s1 ZINC000804949063 654327619 /nfs/dbraw/zinc/32/76/19/654327619.db2.gz IETXLDALOUDFIS-AWEZNQCLSA-N 1 0 388.559 2.136 20 0 GEADRO O=S(=O)(N1CCC([NH2+]Cc2nccc3c2CCCC3)CC1)C(F)(F)F ZINC000921829995 654328436 /nfs/dbraw/zinc/32/84/36/654328436.db2.gz GTRMLLFPHGRTSK-UHFFFAOYSA-N 1 0 377.432 2.364 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2cccc(Br)c2)CCC1)C[C@]1(O)CCOC1 ZINC000905062710 654328663 /nfs/dbraw/zinc/32/86/63/654328663.db2.gz NRSLHDLXIVPYJG-SJLPKXTDSA-N 1 0 384.314 2.363 20 0 GEADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C[C@](C)(O)C(F)F)CC2)cc1 ZINC000905076703 654329379 /nfs/dbraw/zinc/32/93/79/654329379.db2.gz RDKCJKJIGCEUGF-KRWDZBQOSA-N 1 0 376.469 2.055 20 0 GEADRO Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nnn1-c1ccccc1Br ZINC000905087497 654329898 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GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000892194550 654333789 /nfs/dbraw/zinc/33/37/89/654333789.db2.gz YTOGDUOTSDYBLG-WVSHTKLVSA-N 1 0 393.656 2.481 20 0 GEADRO CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H]3C[C@]3(C)Br)CC2)n1 ZINC000892212430 654334271 /nfs/dbraw/zinc/33/42/71/654334271.db2.gz PQXXPCNOORRHBO-WWGRRREGSA-N 1 0 387.322 2.458 20 0 GEADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C1=O ZINC000905147612 654334528 /nfs/dbraw/zinc/33/45/28/654334528.db2.gz LEONDYVZVXJXCK-PZSREKOKSA-N 1 0 386.279 2.337 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872437388 654335123 /nfs/dbraw/zinc/33/51/23/654335123.db2.gz IJPMMHZQAVHKNW-HUYGQZFBSA-N 1 0 381.608 2.475 20 0 GEADRO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1nc(Br)cs1 ZINC000834578343 654336119 /nfs/dbraw/zinc/33/61/19/654336119.db2.gz LUJLJWLOHMGVRT-NSHDSACASA-N 1 0 389.363 2.499 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872440023 654336316 /nfs/dbraw/zinc/33/63/16/654336316.db2.gz WZJMBSQGALIDCE-YGZBKVGRSA-N 1 0 379.592 2.465 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000834588511 654336564 /nfs/dbraw/zinc/33/65/64/654336564.db2.gz CVLYLCJLLKYSQN-UHFFFAOYSA-N 1 0 387.933 2.370 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905187721 654336898 /nfs/dbraw/zinc/33/68/98/654336898.db2.gz MZXFZHJRCMQNGO-XHDPSFHLSA-N 1 0 376.266 2.011 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905200425 654338039 /nfs/dbraw/zinc/33/80/39/654338039.db2.gz KVMBFDCULNYDCL-STECZYCISA-N 1 0 388.302 2.017 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905200416 654338164 /nfs/dbraw/zinc/33/81/64/654338164.db2.gz KVMBFDCULNYDCL-IEAZIUSSSA-N 1 0 388.302 2.017 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892283057 654338573 /nfs/dbraw/zinc/33/85/73/654338573.db2.gz WPELJHDCXBTGIB-CYBMUJFWSA-N 1 0 385.306 2.430 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)CCO2 ZINC000905201763 654338542 /nfs/dbraw/zinc/33/85/42/654338542.db2.gz PHLUBWWHIMIYSD-APHBMKBZSA-N 1 0 394.320 2.353 20 0 GEADRO Cc1csc([C@H](C)C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)n1 ZINC000905206832 654338906 /nfs/dbraw/zinc/33/89/06/654338906.db2.gz DHROHMUEFZMSBD-OCCSQVGLSA-N 1 0 389.587 2.146 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2ncc(Br)c3cccnc32)CC1 ZINC000892320708 654340176 /nfs/dbraw/zinc/34/01/76/654340176.db2.gz YKXVNIINCDFMJD-LSDHHAIUSA-N 1 0 377.286 2.428 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921907341 654340385 /nfs/dbraw/zinc/34/03/85/654340385.db2.gz FSEIDLIBGGRGPA-AWEZNQCLSA-N 1 0 376.881 2.152 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc3ncc(I)n3c2)CC[C@@H]1[NH3+] ZINC000834646283 654340692 /nfs/dbraw/zinc/34/06/92/654340692.db2.gz BVMPPVVKMGFYFC-PWSUYJOCSA-N 1 0 398.248 2.138 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)cc2s1 ZINC000921909967 654340906 /nfs/dbraw/zinc/34/09/06/654340906.db2.gz DUUNKIHZJNBUSK-CQSZACIVSA-N 1 0 381.523 2.136 20 0 GEADRO CC[C@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000834648257 654341047 /nfs/dbraw/zinc/34/10/47/654341047.db2.gz UJESAZXMSSHOLM-GXFFZTMASA-N 1 0 389.315 2.052 20 0 GEADRO CCOC(=O)c1csc(CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)n1 ZINC000905230290 654341496 /nfs/dbraw/zinc/34/14/96/654341496.db2.gz OVTDLIICLJOCQR-LLVKDONJSA-N 1 0 376.347 2.401 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000892355857 654342644 /nfs/dbraw/zinc/34/26/44/654342644.db2.gz DXIJOISUZSSOTB-QWHCGFSZSA-N 1 0 384.322 2.104 20 0 GEADRO O=C1[C@H]([NH2+]C[C@@H](O)CCC2(O)CCC2)CCN1c1cccc(Br)c1 ZINC000905237361 654342840 /nfs/dbraw/zinc/34/28/40/654342840.db2.gz JKNHKKQWJHDJDN-JKSUJKDBSA-N 1 0 397.313 2.200 20 0 GEADRO C[C@](O)(C[NH2+]CCS(=O)(=O)CCc1ccccc1)C(F)(F)C(F)(F)F ZINC000905249393 654344508 /nfs/dbraw/zinc/34/45/08/654344508.db2.gz YCSIGBYZOKYHSI-ZDUSSCGKSA-N 1 0 389.386 2.182 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C1 ZINC000854222389 654344947 /nfs/dbraw/zinc/34/49/47/654344947.db2.gz GBELNBFPFPBPHB-JNSHFYNHSA-N 1 0 382.302 2.002 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)NCC23CCC[NH+]2CCC3)C(F)(F)F)n1 ZINC000834754597 654346930 /nfs/dbraw/zinc/34/69/30/654346930.db2.gz FFSVOOGPEMEWQR-HNNXBMFYSA-N 1 0 377.432 2.336 20 0 GEADRO O=S(=O)(CCC[NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccc(Cl)cc1 ZINC000905274734 654347368 /nfs/dbraw/zinc/34/73/68/654347368.db2.gz QPQMXSIQYOOSKM-INIZCTEOSA-N 1 0 389.945 2.397 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)c2csc(I)n2)CC1 ZINC000854289506 654347825 /nfs/dbraw/zinc/34/78/25/654347825.db2.gz VHBDLHDODTVMMV-UHFFFAOYSA-N 1 0 379.267 2.350 20 0 GEADRO CC1([NH+]2CCC2)CCC(NC(=O)c2c[nH]nc2I)CC1 ZINC000834772649 654347842 /nfs/dbraw/zinc/34/78/42/654347842.db2.gz WUKWGGRWNYSRDC-UHFFFAOYSA-N 1 0 388.253 2.151 20 0 GEADRO CC1([NH+]2CCC2)CCC(NC(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 ZINC000834780852 654347888 /nfs/dbraw/zinc/34/78/88/654347888.db2.gz WLFFAJZBHMQFPW-UHFFFAOYSA-N 1 0 391.946 2.186 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCC[S@@](=O)CC(F)(F)F ZINC000854303305 654348120 /nfs/dbraw/zinc/34/81/20/654348120.db2.gz KIFKGDNYMWIKLF-XMMPIXPASA-N 1 0 385.477 2.132 20 0 GEADRO C[C@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872471857 654348124 /nfs/dbraw/zinc/34/81/24/654348124.db2.gz PGJUDGFONSEDPT-UDFDBXRZSA-N 1 0 379.592 2.370 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc(Br)n1 ZINC000872470577 654348144 /nfs/dbraw/zinc/34/81/44/654348144.db2.gz JVGITBBJRFDDSC-NSHDSACASA-N 1 0 376.320 2.195 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)CC[C@@H]1C(F)(F)F ZINC000905295501 654348741 /nfs/dbraw/zinc/34/87/41/654348741.db2.gz FDRKUSWSHCQZLI-WCBMZHEXSA-N 1 0 393.207 2.468 20 0 GEADRO O=C(NCc1nc(CC2CC[NH2+]CC2)no1)c1ccc(Br)cc1 ZINC000905309516 654349958 /nfs/dbraw/zinc/34/99/58/654349958.db2.gz XKQQCKGTUFIWBB-UHFFFAOYSA-N 1 0 379.258 2.304 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000905330641 654350371 /nfs/dbraw/zinc/35/03/71/654350371.db2.gz FQZLQRBAIBXYOT-UHFFFAOYSA-N 1 0 385.961 2.223 20 0 GEADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1nc(Br)c[nH]1 ZINC000921981525 654350730 /nfs/dbraw/zinc/35/07/30/654350730.db2.gz VYXMJIXHOZXBHB-HNNXBMFYSA-N 1 0 379.302 2.419 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000805116321 654350923 /nfs/dbraw/zinc/35/09/23/654350923.db2.gz ZNUFKMCAJRICIB-QMMMGPOBSA-N 1 0 385.711 2.340 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000892556224 654351631 /nfs/dbraw/zinc/35/16/31/654351631.db2.gz VHNUOIDKASKIEU-NVBFEUDRSA-N 1 0 386.265 2.408 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892558353 654351767 /nfs/dbraw/zinc/35/17/67/654351767.db2.gz SURUGSSNSNYEQL-KLPPZKSPSA-N 1 0 376.320 2.406 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2C[C@@]2(C)Br)ccc1OCC(=O)N(C)C ZINC000892584831 654352493 /nfs/dbraw/zinc/35/24/93/654352493.db2.gz OOLUJVKFPTYHMH-SUMWQHHRSA-N 1 0 385.302 2.425 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@@H]3CC[NH2+]C34CCCC4)cc2N1 ZINC000905352899 654352581 /nfs/dbraw/zinc/35/25/81/654352581.db2.gz BSARITKCXJAJSL-OAHLLOKOSA-N 1 0 383.901 2.178 20 0 GEADRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000834843347 654352938 /nfs/dbraw/zinc/35/29/38/654352938.db2.gz HSVAOZSHRLZLHB-MEDUHNTESA-N 1 0 381.441 2.130 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCC1(c2ccc(Br)cc2)CC1 ZINC000905359614 654352982 /nfs/dbraw/zinc/35/29/82/654352982.db2.gz NQPQDCBSROQMGZ-UHFFFAOYSA-N 1 0 387.343 2.400 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)Cc1ccccc1Br ZINC000905364574 654353441 /nfs/dbraw/zinc/35/34/41/654353441.db2.gz DZWXXCBUEDQMFX-HOCLYGCPSA-N 1 0 386.330 2.246 20 0 GEADRO O=C(NCc1cnc(Br)cn1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000854351873 654354310 /nfs/dbraw/zinc/35/43/10/654354310.db2.gz JJMCVHXQWKIVSW-ZDUSSCGKSA-N 1 0 385.331 2.073 20 0 GEADRO Cc1ccc(/C=C\C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000854353830 654354831 /nfs/dbraw/zinc/35/48/31/654354831.db2.gz HAKYQOWIDUIORP-OGZRUICASA-N 1 0 378.314 2.277 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834879076 654355202 /nfs/dbraw/zinc/35/52/02/654355202.db2.gz PPKNRWBGZXPZLK-KFWWJZLASA-N 1 0 377.551 2.082 20 0 GEADRO Cn1cc(C(=O)NCCC[NH+]2CCCCCC2)c(I)n1 ZINC000905392912 654355487 /nfs/dbraw/zinc/35/54/87/654355487.db2.gz QSADAWSOWGDRER-UHFFFAOYSA-N 1 0 390.269 2.021 20 0 GEADRO CC(C)(CNC(=O)NCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000892652669 654355828 /nfs/dbraw/zinc/35/58/28/654355828.db2.gz BAEGGJMLZSCWEQ-UHFFFAOYSA-N 1 0 398.345 2.483 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC[C@H]2CCCC2(F)F)CCC1 ZINC000905424142 654356399 /nfs/dbraw/zinc/35/63/99/654356399.db2.gz YLUCVMGSRZJYSK-ZIAGYGMSSA-N 1 0 382.517 2.403 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000905431708 654356711 /nfs/dbraw/zinc/35/67/11/654356711.db2.gz KSLLWPDRNNUFMZ-CHWSQXEVSA-N 1 0 381.416 2.002 20 0 GEADRO C[C@H](OC[C@@H](O)C[NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000905432821 654357119 /nfs/dbraw/zinc/35/71/19/654357119.db2.gz SJLAFFIPJWSJJM-JQFCIGGWSA-N 1 0 375.918 2.335 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]Cc2cscc2Cl)CCC1 ZINC000905458891 654358773 /nfs/dbraw/zinc/35/87/73/654358773.db2.gz ZACXMOFHZWLENU-ZDUSSCGKSA-N 1 0 380.963 2.493 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000835045169 654359526 /nfs/dbraw/zinc/35/95/26/654359526.db2.gz FCXIYGSWYNBCGR-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000835070982 654360415 /nfs/dbraw/zinc/36/04/15/654360415.db2.gz MHSWPPIFFADWFY-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000835074622 654360510 /nfs/dbraw/zinc/36/05/10/654360510.db2.gz SCKNQNLAEZOLDE-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892704986 654360509 /nfs/dbraw/zinc/36/05/09/654360509.db2.gz WEBBVHNHCGKQGC-CQSZACIVSA-N 1 0 380.901 2.093 20 0 GEADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872509860 654360791 /nfs/dbraw/zinc/36/07/91/654360791.db2.gz DHDIDUZUAYCPEU-UHFFFAOYSA-N 1 0 388.331 2.483 20 0 GEADRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872512332 654361507 /nfs/dbraw/zinc/36/15/07/654361507.db2.gz VBFJUBPCAJPSBI-HSZRJFAPSA-N 1 0 381.608 2.427 20 0 GEADRO C[C@]1(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C[NH+]2CCC1CC2 ZINC000892757282 654362572 /nfs/dbraw/zinc/36/25/72/654362572.db2.gz DUKHCDZVYKRFBM-QAPCUYQASA-N 1 0 393.281 2.131 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835128268 654363499 /nfs/dbraw/zinc/36/34/99/654363499.db2.gz LLSZWXLQZYIYDF-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)c3nccn4c(Br)cnc34)C2)CC1 ZINC000854498628 654364895 /nfs/dbraw/zinc/36/48/95/654364895.db2.gz VIIUIGQTBGGSGX-UHFFFAOYSA-N 1 0 378.274 2.050 20 0 GEADRO CC[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000905554347 654365553 /nfs/dbraw/zinc/36/55/53/654365553.db2.gz XXJBEXDLBHJKIP-CZUORRHYSA-N 1 0 375.282 2.322 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)CS(C)(=O)=O ZINC000905580918 654367353 /nfs/dbraw/zinc/36/73/53/654367353.db2.gz WTPMKCHSIKIWEN-ZDUSSCGKSA-N 1 0 384.325 2.394 20 0 GEADRO CCO[C@H](CNC[C@](C)(O)c1ccc(Br)cc1F)C[NH+](C)C ZINC000905580330 654367408 /nfs/dbraw/zinc/36/74/08/654367408.db2.gz OHIAFXAYLHEJKW-CJNGLKHVSA-N 1 0 377.298 2.352 20 0 GEADRO C[C@@](O)(C[NH2+]CC[C@H]1CNC(=O)C1)c1ccc(Br)cc1Cl ZINC000905582901 654367680 /nfs/dbraw/zinc/36/76/80/654367680.db2.gz AICUEYPPICJBTI-MEBBXXQBSA-N 1 0 375.694 2.426 20 0 GEADRO C[C@H](C[NH2+]C[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000905585113 654367877 /nfs/dbraw/zinc/36/78/77/654367877.db2.gz DAZJKRJKRWRSHT-BXUZGUMPSA-N 1 0 388.452 2.341 20 0 GEADRO O[C@H](C[NH2+]CC1(n2cc(Br)cn2)CC1)COc1ccc(F)cc1 ZINC000905587369 654368172 /nfs/dbraw/zinc/36/81/72/654368172.db2.gz OSNQYQWNIIBJGY-CQSZACIVSA-N 1 0 384.249 2.303 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H](CO)c1ccc(Cl)cc1)C2 ZINC000892878039 654368465 /nfs/dbraw/zinc/36/84/65/654368465.db2.gz LUEWDTIAGXLGBW-GFCCVEGCSA-N 1 0 380.901 2.099 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1 ZINC000892886343 654369008 /nfs/dbraw/zinc/36/90/08/654369008.db2.gz RHCKDXRFNLARQX-RHSMWYFYSA-N 1 0 381.318 2.046 20 0 GEADRO CC1(C)O[C@@H]2C[C@@H]([NH2+]C[C@@H](O)COc3ccc(Br)cc3)C[C@@H]2O1 ZINC000905610248 654370079 /nfs/dbraw/zinc/37/00/79/654370079.db2.gz VEVHYDRCQHNDQO-XOUADPBQSA-N 1 0 386.286 2.461 20 0 GEADRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]CCn1cc(Br)cn1 ZINC000922124472 654370440 /nfs/dbraw/zinc/37/04/40/654370440.db2.gz SUVAAJORTDOBRE-GFCCVEGCSA-N 1 0 382.258 2.376 20 0 GEADRO Cn1nccc1[C@H](O)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000905623846 654370786 /nfs/dbraw/zinc/37/07/86/654370786.db2.gz GBHJOSCQHBVRPQ-CABCVRRESA-N 1 0 388.693 2.367 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cn(C(C)(C)C)nc1Br ZINC000854642349 654372357 /nfs/dbraw/zinc/37/23/57/654372357.db2.gz KPEDJHLFPNHQKA-UONOGXRCSA-N 1 0 399.333 2.336 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cn2c(Br)cnc2s1 ZINC000854643803 654372694 /nfs/dbraw/zinc/37/26/94/654372694.db2.gz YDEDILISMIKXBC-MNOVXSKESA-N 1 0 399.314 2.094 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cn2c(Br)cnc2s1 ZINC000854643805 654372837 /nfs/dbraw/zinc/37/28/37/654372837.db2.gz YDEDILISMIKXBC-WDEREUQCSA-N 1 0 399.314 2.094 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)ncc1Br ZINC000854643095 654372858 /nfs/dbraw/zinc/37/28/58/654372858.db2.gz QQWVUHCQJGITGM-OLZOCXBDSA-N 1 0 388.693 2.433 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922167989 654373156 /nfs/dbraw/zinc/37/31/56/654373156.db2.gz GDSCHEGAYDPYBU-ZDUSSCGKSA-N 1 0 381.270 2.499 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000905669143 654373339 /nfs/dbraw/zinc/37/33/39/654373339.db2.gz VIBIAXIJLQQPLC-CHWSQXEVSA-N 1 0 387.322 2.456 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC[C@H]2CCC(F)(F)C2)CCC1 ZINC000905675364 654373575 /nfs/dbraw/zinc/37/35/75/654373575.db2.gz OJLRXGUGLCBAPQ-ZIAGYGMSSA-N 1 0 382.517 2.403 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000922205459 654375746 /nfs/dbraw/zinc/37/57/46/654375746.db2.gz LAWKOZFKNHHLBV-CQSZACIVSA-N 1 0 382.306 2.397 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000893029167 654376591 /nfs/dbraw/zinc/37/65/91/654376591.db2.gz MJXUXNVAIKHNFY-CYBMUJFWSA-N 1 0 375.288 2.074 20 0 GEADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1cc(Br)ccc1=O ZINC000893027304 654376723 /nfs/dbraw/zinc/37/67/23/654376723.db2.gz TWKFMAOURMHJNU-UKRRQHHQSA-N 1 0 384.318 2.332 20 0 GEADRO O=C(NCC[NH2+]Cc1cnn(C2CCC2)c1)c1ccc(Br)cn1 ZINC000922237111 654377739 /nfs/dbraw/zinc/37/77/39/654377739.db2.gz HXAGHSOOJHPYPS-UHFFFAOYSA-N 1 0 378.274 2.285 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000835298114 654378365 /nfs/dbraw/zinc/37/83/65/654378365.db2.gz JBSQIZJPQJFPPY-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO CON1CC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000905754438 654379294 /nfs/dbraw/zinc/37/92/94/654379294.db2.gz GZACBBOIBRDLJO-OAHLLOKOSA-N 1 0 383.286 2.249 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000893093441 654381796 /nfs/dbraw/zinc/38/17/96/654381796.db2.gz YUBNITPULGEOKP-UHFFFAOYSA-N 1 0 383.290 2.480 20 0 GEADRO O=S(=O)(Cc1ccon1)NCC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000893099195 654382115 /nfs/dbraw/zinc/38/21/15/654382115.db2.gz XRDRNLVSTVWLKD-UHFFFAOYSA-N 1 0 378.281 2.233 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)C1 ZINC000893106684 654382630 /nfs/dbraw/zinc/38/26/30/654382630.db2.gz PRSHGLCFZYXDMD-CHWSQXEVSA-N 1 0 385.555 2.315 20 0 GEADRO O=C1OC[C@@]2(C[NH2+]Cc3cc4c(cc(F)cc4Br)[nH]3)COCCN12 ZINC000922317924 654383001 /nfs/dbraw/zinc/38/30/01/654383001.db2.gz LRBQLTDTSGFLBG-MRXNPFEDSA-N 1 0 398.232 2.380 20 0 GEADRO [O-]c1cc(Br)cnc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000893114904 654383132 /nfs/dbraw/zinc/38/31/32/654383132.db2.gz YCGOCJJESFAWLI-JKSUJKDBSA-N 1 0 384.318 2.407 20 0 GEADRO [O-]c1cc(Br)cnc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000893114901 654383177 /nfs/dbraw/zinc/38/31/77/654383177.db2.gz YCGOCJJESFAWLI-CVEARBPZSA-N 1 0 384.318 2.407 20 0 GEADRO C[NH+]1CCC(n2cc(NC(=O)c3nn4c(c3Br)CCC4)cn2)CC1 ZINC000893136840 654384741 /nfs/dbraw/zinc/38/47/41/654384741.db2.gz VBDAZWSYDLVCEX-UHFFFAOYSA-N 1 0 393.289 2.307 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N[C@](C)(CO)c2cccc(Br)c2)CC[N@@H+]1C ZINC000893221085 654390372 /nfs/dbraw/zinc/39/03/72/654390372.db2.gz MRDQCJMKQXZGRN-ISTRZQFTSA-N 1 0 384.318 2.439 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cnc(Br)s2)CC1 ZINC000905916406 654390698 /nfs/dbraw/zinc/39/06/98/654390698.db2.gz GOIMCMYHKXUWIN-UHFFFAOYSA-N 1 0 375.336 2.052 20 0 GEADRO O=C(c1nscc1I)N1CC[NH+](C2CCCC2)CC1 ZINC000905925024 654391030 /nfs/dbraw/zinc/39/10/30/654391030.db2.gz PJDGYWWROJCXTB-UHFFFAOYSA-N 1 0 391.278 2.448 20 0 GEADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]CC[S@@](=O)C(F)(F)F)O2 ZINC000905967713 654395143 /nfs/dbraw/zinc/39/51/43/654395143.db2.gz WHSVVWRVBJBRFV-SSINHNECSA-N 1 0 386.436 2.013 20 0 GEADRO O[C@H](COC1CCOCC1)C[NH+]1CC(Cc2cccc(Br)c2)C1 ZINC000905976818 654396114 /nfs/dbraw/zinc/39/61/14/654396114.db2.gz CFDOJVQFBVEXBB-KRWDZBQOSA-N 1 0 384.314 2.480 20 0 GEADRO CN1C[C@@H](CC[NH2+]Cc2ccc(F)cc2I)CC1=O ZINC000922485128 654396583 /nfs/dbraw/zinc/39/65/83/654396583.db2.gz VJBZKXNJOZGSNP-JTQLQIEISA-N 1 0 376.213 2.388 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000893318843 654396794 /nfs/dbraw/zinc/39/67/94/654396794.db2.gz IHOWYTLHLWBRMU-HNNXBMFYSA-N 1 0 399.285 2.419 20 0 GEADRO CC(C)Cc1ncc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)s1 ZINC000922497148 654397982 /nfs/dbraw/zinc/39/79/82/654397982.db2.gz UTYUJFNSOSENEF-UHFFFAOYSA-N 1 0 376.404 2.456 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000855162300 654398956 /nfs/dbraw/zinc/39/89/56/654398956.db2.gz WFZHERLYACBWEQ-NSHDSACASA-N 1 0 380.290 2.342 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H](CO)CCc1ccccc1 ZINC000922545871 654400795 /nfs/dbraw/zinc/40/07/95/654400795.db2.gz KEFWOSHBEQEFEH-CYBMUJFWSA-N 1 0 385.249 2.108 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000855266910 654403576 /nfs/dbraw/zinc/40/35/76/654403576.db2.gz LEOSYPXJGDRGCL-BZQUYTCOSA-N 1 0 376.444 2.293 20 0 GEADRO CO[C@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCS(=O)(=O)C1 ZINC000922618903 654404148 /nfs/dbraw/zinc/40/41/48/654404148.db2.gz KPRNMLKKXDDSPK-AWEZNQCLSA-N 1 0 385.379 2.060 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2ccnc3c(Br)cccc23)CCS(=O)(=O)C1 ZINC000922618010 654404203 /nfs/dbraw/zinc/40/42/03/654404203.db2.gz XSXWTTDHATWUNF-MRXNPFEDSA-N 1 0 399.310 2.291 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2ccc(Br)cc2SC)CCS(=O)(=O)C1 ZINC000922620060 654404423 /nfs/dbraw/zinc/40/44/23/654404423.db2.gz XFPRGRYMESRZMJ-CQSZACIVSA-N 1 0 394.356 2.464 20 0 GEADRO OC1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CCC2(CC1)OCCO2 ZINC000922621252 654404504 /nfs/dbraw/zinc/40/45/04/654404504.db2.gz KMYUTAHYLNTGAK-UHFFFAOYSA-N 1 0 396.285 2.235 20 0 GEADRO COc1cc(C[NH2+]C(C)(C)CNS(C)(=O)=O)ccc1OCC(F)(F)F ZINC000922638538 654405266 /nfs/dbraw/zinc/40/52/66/654405266.db2.gz XSNOSMFYHRXTJA-UHFFFAOYSA-N 1 0 384.420 2.054 20 0 GEADRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000922636918 654405494 /nfs/dbraw/zinc/40/54/94/654405494.db2.gz VVQNZJPZEYPUCF-UHFFFAOYSA-N 1 0 386.315 2.415 20 0 GEADRO COc1cc(C[NH2+][C@H]2COC[C@H]2C)cc(I)c1OC ZINC000922642409 654405533 /nfs/dbraw/zinc/40/55/33/654405533.db2.gz DFIZLUQPENTWJG-SKDRFNHKSA-N 1 0 377.222 2.433 20 0 GEADRO Cn1ccc(-c2nc(C[NH2+]CCc3ccccc3S(C)(=O)=O)cs2)n1 ZINC000922683413 654407479 /nfs/dbraw/zinc/40/74/79/654407479.db2.gz UWUAKSLURXDRJE-UHFFFAOYSA-N 1 0 376.507 2.279 20 0 GEADRO CC(=O)N1CCN(CC[NH2+]Cc2c(Br)c3ccccc3n2C)CC1 ZINC000873011769 654410187 /nfs/dbraw/zinc/41/01/87/654410187.db2.gz FSDLAORCZLNCCR-UHFFFAOYSA-N 1 0 393.329 2.195 20 0 GEADRO Fc1ccc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(I)c1 ZINC000922727144 654410242 /nfs/dbraw/zinc/41/02/42/654410242.db2.gz ZUXGMQPPPPXGGP-OSMZGAPFSA-N 1 0 377.197 2.324 20 0 GEADRO OC1CC[NH+](CCCNCc2cccc(F)c2I)CC1 ZINC000873022007 654410701 /nfs/dbraw/zinc/41/07/01/654410701.db2.gz RBFFPHVHPQMFRU-UHFFFAOYSA-N 1 0 392.256 2.367 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000922791326 654413714 /nfs/dbraw/zinc/41/37/14/654413714.db2.gz WSCBUXSDBPXCOH-CNDDSTCGSA-N 1 0 385.306 2.385 20 0 GEADRO CS(=O)(=O)Nc1cccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000922803589 654414445 /nfs/dbraw/zinc/41/44/45/654414445.db2.gz ZWNICPAQMCWTJJ-UHFFFAOYSA-N 1 0 399.314 2.296 20 0 GEADRO CSc1cccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1C ZINC000873105670 654415339 /nfs/dbraw/zinc/41/53/39/654415339.db2.gz AKVJDNSBSWYXRP-WDEREUQCSA-N 1 0 375.416 2.251 20 0 GEADRO CSc1cccc(C)c1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873107232 654415948 /nfs/dbraw/zinc/41/59/48/654415948.db2.gz MQACDTMFSAYOOM-MNOVXSKESA-N 1 0 375.416 2.251 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cccc(Cl)c1Br)C2 ZINC000873109465 654416021 /nfs/dbraw/zinc/41/60/21/654416021.db2.gz STKCKMXDGPZVSA-BJOHPYRUSA-N 1 0 386.677 2.109 20 0 GEADRO CSc1cccc(C)c1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873107233 654416064 /nfs/dbraw/zinc/41/60/64/654416064.db2.gz MQACDTMFSAYOOM-QWRGUYRKSA-N 1 0 375.416 2.251 20 0 GEADRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000922828259 654416142 /nfs/dbraw/zinc/41/61/42/654416142.db2.gz ZZUSEGFTQIWTQM-ZDUSSCGKSA-N 1 0 388.283 2.204 20 0 GEADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OCc2ccc(Br)nc2N)CC1 ZINC000922846046 654416527 /nfs/dbraw/zinc/41/65/27/654416527.db2.gz KHNMCAZYIUZWMD-HIFRSBDPSA-N 1 0 398.301 2.216 20 0 GEADRO C[C@H](CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)[NH+](C)C ZINC000855413552 654418108 /nfs/dbraw/zinc/41/81/08/654418108.db2.gz NCDRULQSXVPEDX-GFCCVEGCSA-N 1 0 389.949 2.487 20 0 GEADRO COc1ncc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1Br ZINC000922889815 654418338 /nfs/dbraw/zinc/41/83/38/654418338.db2.gz XQUVDQXLECIRHH-UHFFFAOYSA-N 1 0 398.301 2.226 20 0 GEADRO COCC(C)(C)CC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000873153178 654418976 /nfs/dbraw/zinc/41/89/76/654418976.db2.gz CSYFXKHQLOUSLL-ZDUSSCGKSA-N 1 0 377.938 2.357 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873157415 654419207 /nfs/dbraw/zinc/41/92/07/654419207.db2.gz YETHJTUKKUCEPZ-NYTXWWLZSA-N 1 0 387.933 2.252 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000873155354 654419322 /nfs/dbraw/zinc/41/93/22/654419322.db2.gz IWNHVIZFVIKUBD-STQMWFEESA-N 1 0 375.922 2.109 20 0 GEADRO Cc1cc(OCC(=O)NCCCC[NH+]2CCOCC2)ccc1Br ZINC000906215886 654421967 /nfs/dbraw/zinc/42/19/67/654421967.db2.gz VHCIDWTXBDXLNU-UHFFFAOYSA-N 1 0 385.302 2.365 20 0 GEADRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cn(C)nc2Br)c1 ZINC000873194706 654422349 /nfs/dbraw/zinc/42/23/49/654422349.db2.gz IXVAZWXOGDHFQO-BONVTDFDSA-N 1 0 384.274 2.412 20 0 GEADRO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210008 654422840 /nfs/dbraw/zinc/42/28/40/654422840.db2.gz UNNYNIJRHONDQF-QGZVFWFLSA-N 1 0 383.583 2.220 20 0 GEADRO CCS(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000873303831 654424057 /nfs/dbraw/zinc/42/40/57/654424057.db2.gz LIURFUHOBYXDMT-MFKMUULPSA-N 1 0 379.404 2.081 20 0 GEADRO Cc1nccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1Br ZINC000873321180 654424667 /nfs/dbraw/zinc/42/46/67/654424667.db2.gz IPPHVALMAWQZII-RKDXNWHRSA-N 1 0 381.196 2.175 20 0 GEADRO Cc1c(Br)nccc1NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873328634 654425083 /nfs/dbraw/zinc/42/50/83/654425083.db2.gz PMLBRESOMJTTBS-LBPRGKRZSA-N 1 0 383.290 2.433 20 0 GEADRO CC[NH+](CC)Cc1ccc(C(=O)NCCS(=O)(=O)CC(F)(F)F)cc1 ZINC000855574640 654426100 /nfs/dbraw/zinc/42/61/00/654426100.db2.gz ZUXXDPRSSFBHSO-UHFFFAOYSA-N 1 0 380.432 2.235 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnnn1-c1ccccc1Br ZINC000906361490 654431188 /nfs/dbraw/zinc/43/11/88/654431188.db2.gz IINMBCAJCHXVLR-GFCCVEGCSA-N 1 0 390.285 2.244 20 0 GEADRO CC(C)[NH+]1CCC(N(C)Cc2c(I)cnn2C)CC1 ZINC000893920575 654431584 /nfs/dbraw/zinc/43/15/84/654431584.db2.gz SPNSIYSLYODPAS-UHFFFAOYSA-N 1 0 376.286 2.329 20 0 GEADRO Cc1ccc(/C=C/C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(Br)c1 ZINC000855695330 654434172 /nfs/dbraw/zinc/43/41/72/654434172.db2.gz KKNDQEZUSCEYOY-CMDGGOBGSA-N 1 0 396.329 2.249 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000923223163 654435100 /nfs/dbraw/zinc/43/51/00/654435100.db2.gz CTTONJKJKGYNMQ-MFKMUULPSA-N 1 0 394.273 2.391 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cccn3ncc(Br)c23)n1 ZINC000906462651 654440946 /nfs/dbraw/zinc/44/09/46/654440946.db2.gz AMIXDXBWEMWFNT-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894034152 654441205 /nfs/dbraw/zinc/44/12/05/654441205.db2.gz LEOZXUZXSFNLQM-AEGPPILISA-N 1 0 390.343 2.013 20 0 GEADRO Cn1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(I)n1 ZINC000894038203 654441770 /nfs/dbraw/zinc/44/17/70/654441770.db2.gz CDJPOTGSNYTAHF-AWEZNQCLSA-N 1 0 388.297 2.475 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C)nc2I)[C@H](C)C1 ZINC000894050047 654442770 /nfs/dbraw/zinc/44/27/70/654442770.db2.gz LDLDDKUJPASVTK-DGCLKSJQSA-N 1 0 376.286 2.187 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(Cc2cn(C)nc2I)C1 ZINC000894057039 654443199 /nfs/dbraw/zinc/44/31/99/654443199.db2.gz FGCWBCGHIYMHPS-LBPRGKRZSA-N 1 0 376.286 2.188 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000906495995 654443819 /nfs/dbraw/zinc/44/38/19/654443819.db2.gz ZDRXOJLVDWIPMU-UHFFFAOYSA-N 1 0 378.274 2.101 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000873649529 654444346 /nfs/dbraw/zinc/44/43/46/654444346.db2.gz IUDHCNLHKZMPFN-UHFFFAOYSA-N 1 0 380.645 2.248 20 0 GEADRO COC(=O)c1cc(Br)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000923332331 654445003 /nfs/dbraw/zinc/44/50/03/654445003.db2.gz LEZGVLKORDFYKF-PSOPSSQASA-N 1 0 383.286 2.413 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCCC3SCCS3)C2)[C@@H]1C(C)C ZINC000923337896 654445400 /nfs/dbraw/zinc/44/54/00/654445400.db2.gz VGNOJMIBBZSATI-AHEZYBDSSA-N 1 0 387.615 2.352 20 0 GEADRO Cn1cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(I)n1 ZINC000894086986 654445557 /nfs/dbraw/zinc/44/55/57/654445557.db2.gz PZEFQUSYPMNNGK-ZDUSSCGKSA-N 1 0 388.297 2.188 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906529183 654446782 /nfs/dbraw/zinc/44/67/82/654446782.db2.gz MUXZQTKCGNAIGV-GFCCVEGCSA-N 1 0 378.274 2.196 20 0 GEADRO CC[NH+]1CCN(c2ccc(NCc3nc(Br)nn3C)cc2)CC1 ZINC000894100629 654447267 /nfs/dbraw/zinc/44/72/67/654447267.db2.gz CWFDGWCYKRSYPW-UHFFFAOYSA-N 1 0 379.306 2.332 20 0 GEADRO COCC[NH2+]C1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923386737 654447984 /nfs/dbraw/zinc/44/79/84/654447984.db2.gz DULBCEYNUCFRJG-OAHLLOKOSA-N 1 0 377.312 2.434 20 0 GEADRO CC(C)(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)c1ccc(Br)cc1 ZINC000894116197 654448190 /nfs/dbraw/zinc/44/81/90/654448190.db2.gz DSDXPFBTPYWYQK-QGZVFWFLSA-N 1 0 380.286 2.401 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(F)(F)c1ncccc1Br ZINC000906571152 654449496 /nfs/dbraw/zinc/44/94/96/654449496.db2.gz BVOFTYMOMOWEGA-NSHDSACASA-N 1 0 392.244 2.163 20 0 GEADRO COC(=O)CC1([NH2+]Cc2c(I)cnn2C)CCCCC1 ZINC000894141134 654449559 /nfs/dbraw/zinc/44/95/59/654449559.db2.gz QYGKJSDYRFNQJF-UHFFFAOYSA-N 1 0 391.253 2.380 20 0 GEADRO O=C(CN1CCC[C@@H]([NH2+]CCO)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000923401526 654450116 /nfs/dbraw/zinc/45/01/16/654450116.db2.gz VNJJNEXYAZAZQG-GFCCVEGCSA-N 1 0 379.810 2.344 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000873702651 654450897 /nfs/dbraw/zinc/45/08/97/654450897.db2.gz NACXGYOECLHFOY-CYBMUJFWSA-N 1 0 396.285 2.093 20 0 GEADRO Cc1cc(CN2CCC([NH2+]CCO)CC2)c(C)cc1I ZINC000923411254 654451166 /nfs/dbraw/zinc/45/11/66/654451166.db2.gz BFCZLHGQTWHEIP-UHFFFAOYSA-N 1 0 388.293 2.454 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000894155334 654451262 /nfs/dbraw/zinc/45/12/62/654451262.db2.gz CNKTUJXQMVETSD-UHFFFAOYSA-N 1 0 375.288 2.074 20 0 GEADRO O[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)COc1ccccc1 ZINC000894164225 654451784 /nfs/dbraw/zinc/45/17/84/654451784.db2.gz AOJXLNGIMGXZMD-ZDUSSCGKSA-N 1 0 383.901 2.163 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000873716104 654453142 /nfs/dbraw/zinc/45/31/42/654453142.db2.gz FAKXZSPQIMZMIU-UHFFFAOYSA-N 1 0 398.301 2.294 20 0 GEADRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCS(=O)(=O)c1cccc(Br)c1 ZINC000923441857 654453632 /nfs/dbraw/zinc/45/36/32/654453632.db2.gz NOQNNZKUFOIZSO-AVGNSLFASA-N 1 0 375.332 2.294 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873717160 654453842 /nfs/dbraw/zinc/45/38/42/654453842.db2.gz YZJYYWXUHLKTRK-ZDUSSCGKSA-N 1 0 396.285 2.191 20 0 GEADRO COCC(COC)[NH+]1CCN(c2ncc(Br)c3cccnc32)CC1 ZINC000894182239 654453902 /nfs/dbraw/zinc/45/39/02/654453902.db2.gz ZLQOZXSFLUKNMT-UHFFFAOYSA-N 1 0 395.301 2.176 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br)C1CC1 ZINC000873719146 654454072 /nfs/dbraw/zinc/45/40/72/654454072.db2.gz ZENLSWVLOAJFSJ-UHFFFAOYSA-N 1 0 392.656 2.391 20 0 GEADRO COc1ccccc1[C@@H](O)C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894198471 654454682 /nfs/dbraw/zinc/45/46/82/654454682.db2.gz BBZCZMIJMPEYGM-ZDUSSCGKSA-N 1 0 383.901 2.465 20 0 GEADRO [NH3+][C@]1(CO)CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923478131 654454620 /nfs/dbraw/zinc/45/46/20/654454620.db2.gz XUTKKHVHPUOJLP-SJLPKXTDSA-N 1 0 386.323 2.443 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@]([NH3+])(CO)C1 ZINC000923480760 654455204 /nfs/dbraw/zinc/45/52/04/654455204.db2.gz RSQDGZDLVAVYBC-MEBBXXQBSA-N 1 0 379.810 2.471 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC000894199996 654455323 /nfs/dbraw/zinc/45/53/23/654455323.db2.gz ORQDUASOUZNXNF-ZDUSSCGKSA-N 1 0 387.269 2.426 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1c(I)cnn1C ZINC000894201082 654455338 /nfs/dbraw/zinc/45/53/38/654455338.db2.gz VJOKSTUDIOLLGJ-NEPJUHHUSA-N 1 0 376.286 2.235 20 0 GEADRO Cn1cc(CN[C@@H](Cc2ccccc2)C[NH+](C)C)c(I)n1 ZINC000894201047 654455345 /nfs/dbraw/zinc/45/53/45/654455345.db2.gz ZXEPYRIXMSJEAB-HNNXBMFYSA-N 1 0 398.292 2.287 20 0 GEADRO C[C@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923497944 654457363 /nfs/dbraw/zinc/45/73/63/654457363.db2.gz NLQSJYSVCQXMHV-QWHCGFSZSA-N 1 0 375.332 2.140 20 0 GEADRO Cn1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1C1CC1 ZINC000894251423 654459406 /nfs/dbraw/zinc/45/94/06/654459406.db2.gz KUBZIIOTOWKELT-UHFFFAOYSA-N 1 0 386.880 2.158 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H](CCO)c1ccccc1 ZINC000894289158 654462669 /nfs/dbraw/zinc/46/26/69/654462669.db2.gz IPSSPOKYNWRCCC-ZDUSSCGKSA-N 1 0 385.249 2.281 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000906705438 654462828 /nfs/dbraw/zinc/46/28/28/654462828.db2.gz LALREUWVPDIEAQ-LLVKDONJSA-N 1 0 392.656 2.294 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2cnc(Br)cn2)C1 ZINC000923533361 654463124 /nfs/dbraw/zinc/46/31/24/654463124.db2.gz KPMYCMVZYUAZKJ-CYBMUJFWSA-N 1 0 382.306 2.112 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534095 654463561 /nfs/dbraw/zinc/46/35/61/654463561.db2.gz NZSLSJLTKVALKW-MRXNPFEDSA-N 1 0 377.290 2.143 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1nscc1I ZINC000906714522 654463860 /nfs/dbraw/zinc/46/38/60/654463860.db2.gz HVCOEILDUOOASN-VIFPVBQESA-N 1 0 379.267 2.352 20 0 GEADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cn(C)nc1I ZINC000894311330 654464048 /nfs/dbraw/zinc/46/40/48/654464048.db2.gz ZKIPRNPPDFNTAG-VIFPVBQESA-N 1 0 387.269 2.096 20 0 GEADRO C[C@@H]1CSCCCN1C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000906721588 654464324 /nfs/dbraw/zinc/46/43/24/654464324.db2.gz MVCAFSLSMHBNCD-SNVBAGLBSA-N 1 0 375.416 2.457 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cnc(Br)cn2)CC[N@@H+](C2CCC2)C1 ZINC000923543546 654465887 /nfs/dbraw/zinc/46/58/87/654465887.db2.gz VPYGIAWGHIWXRR-LBPRGKRZSA-N 1 0 382.306 2.255 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 ZINC000906742284 654466866 /nfs/dbraw/zinc/46/68/66/654466866.db2.gz TWQANINLJVPZEC-XWEPSHTISA-N 1 0 394.191 2.260 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000906742812 654467273 /nfs/dbraw/zinc/46/72/73/654467273.db2.gz XODPMAYZTTVNJP-UMSPYCQHSA-N 1 0 376.254 2.394 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(N)nc(Br)c3)cc2)CC1 ZINC000873821990 654468685 /nfs/dbraw/zinc/46/86/85/654468685.db2.gz WOWHLTHLBMYSSB-UHFFFAOYSA-N 1 0 390.285 2.430 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906766070 654469677 /nfs/dbraw/zinc/46/96/77/654469677.db2.gz SYIAEMAJJHYZFM-OAHLLOKOSA-N 1 0 386.677 2.396 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906765786 654469740 /nfs/dbraw/zinc/46/97/40/654469740.db2.gz QPNIOBQIPRXTCS-OAHLLOKOSA-N 1 0 388.212 2.020 20 0 GEADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1c(I)cnn1C ZINC000894371771 654470443 /nfs/dbraw/zinc/47/04/43/654470443.db2.gz GQBHSQJPRMJISI-UHFFFAOYSA-N 1 0 387.269 2.097 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1F)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906774082 654470981 /nfs/dbraw/zinc/47/09/81/654470981.db2.gz ZMLGVQDZWHDIJW-HNNXBMFYSA-N 1 0 388.212 2.020 20 0 GEADRO CN1C(=O)CS/C1=C/C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000873838122 654471007 /nfs/dbraw/zinc/47/10/07/654471007.db2.gz ALQJNEOIBJLHOF-VCHYOVAHSA-N 1 0 379.913 2.467 20 0 GEADRO Cn1cc(CNC[C@H](c2ccccc2)[NH+](C)C)c(I)n1 ZINC000894382659 654471551 /nfs/dbraw/zinc/47/15/51/654471551.db2.gz YLYXISNVSBLZDD-CQSZACIVSA-N 1 0 384.265 2.417 20 0 GEADRO COC(=O)c1cc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)cs1 ZINC000894385001 654471716 /nfs/dbraw/zinc/47/17/16/654471716.db2.gz JSRVZQPMJSQVGP-AWEZNQCLSA-N 1 0 377.388 2.198 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC[C@@H]2C[C@@]2(C)Br)c1 ZINC000894386065 654472219 /nfs/dbraw/zinc/47/22/19/654472219.db2.gz VDVDVEPBMXWWKN-SWLSCSKDSA-N 1 0 390.347 2.112 20 0 GEADRO CN1CC[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923634251 654472803 /nfs/dbraw/zinc/47/28/03/654472803.db2.gz LGKASNSLPLMNLR-KEYYUXOJSA-N 1 0 389.924 2.143 20 0 GEADRO O=C(c1cc(Br)cnc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856253699 654473091 /nfs/dbraw/zinc/47/30/91/654473091.db2.gz OFQQDRPJUXJZLL-LBPRGKRZSA-N 1 0 388.693 2.169 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000894414235 654473490 /nfs/dbraw/zinc/47/34/90/654473490.db2.gz QJNRZXPJTWPICT-ZYHUDNBSSA-N 1 0 385.477 2.446 20 0 GEADRO O=C(c1cc(Cl)ncc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856255900 654473669 /nfs/dbraw/zinc/47/36/69/654473669.db2.gz JRLCFQDHILEZSU-NSHDSACASA-N 1 0 388.693 2.169 20 0 GEADRO CC(C)(C)n1ncc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1Br ZINC000856254987 654473705 /nfs/dbraw/zinc/47/37/05/654473705.db2.gz GGXLNEYTTYFIBH-CYBMUJFWSA-N 1 0 399.333 2.072 20 0 GEADRO O=S(=O)(c1occc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923656596 654473742 /nfs/dbraw/zinc/47/37/42/654473742.db2.gz XOKCTMBXMDPLQL-GFCCVEGCSA-N 1 0 377.304 2.442 20 0 GEADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000923669846 654475089 /nfs/dbraw/zinc/47/50/89/654475089.db2.gz DYLAZGVGQLRVRT-ZYHUDNBSSA-N 1 0 384.395 2.371 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000923676955 654475451 /nfs/dbraw/zinc/47/54/51/654475451.db2.gz WMOJAHWDIFREMF-HUUCEWRRSA-N 1 0 389.315 2.268 20 0 GEADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1c(Cl)cc(F)cc1Cl ZINC000923682306 654475919 /nfs/dbraw/zinc/47/59/19/654475919.db2.gz YHTYTXLXJJZHMN-UHFFFAOYSA-N 1 0 398.331 2.486 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)Cc1ccc(F)cc1Cl)CC2 ZINC000923687498 654477212 /nfs/dbraw/zinc/47/72/12/654477212.db2.gz ILHQAEIIMMOCDE-CQSZACIVSA-N 1 0 376.881 2.139 20 0 GEADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000923697463 654478334 /nfs/dbraw/zinc/47/83/34/654478334.db2.gz QNWWZCDFFCCGMX-KGLIPLIRSA-N 1 0 388.917 2.115 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)CC[C@@H]1C[NH3+] ZINC000923698340 654478660 /nfs/dbraw/zinc/47/86/60/654478660.db2.gz CEPFLMOHMHQPAX-GHMZBOCLSA-N 1 0 379.295 2.335 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923701223 654478923 /nfs/dbraw/zinc/47/89/23/654478923.db2.gz GDKGTFJZGUEUFE-MNOVXSKESA-N 1 0 377.304 2.063 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[C@H]1C[NH3+] ZINC000923699723 654478977 /nfs/dbraw/zinc/47/89/77/654478977.db2.gz LIFRCXPXNXVLGJ-YPMHNXCESA-N 1 0 385.917 2.220 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923715714 654480651 /nfs/dbraw/zinc/48/06/51/654480651.db2.gz YXSFKYVFGKQUQQ-WDEREUQCSA-N 1 0 377.279 2.127 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000923737679 654482193 /nfs/dbraw/zinc/48/21/93/654482193.db2.gz YVCOWQLMOHOHNR-KCQAQPDRSA-N 1 0 388.917 2.161 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)s1 ZINC000923744652 654482702 /nfs/dbraw/zinc/48/27/02/654482702.db2.gz JNAYMHZZQKTKCQ-GFCCVEGCSA-N 1 0 380.491 2.251 20 0 GEADRO COc1ncccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000906887288 654482791 /nfs/dbraw/zinc/48/27/91/654482791.db2.gz LJNKZHNMDWYTCA-AWEZNQCLSA-N 1 0 381.523 2.342 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CCSC)C(=O)NC)C[C@@H]1C(F)(F)F ZINC000894521677 654482933 /nfs/dbraw/zinc/48/29/33/654482933.db2.gz ZCIPPBZOYZIIBN-NDBYEHHHSA-N 1 0 384.464 2.354 20 0 GEADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2c(I)cnn2C)cc1 ZINC000894532465 654483632 /nfs/dbraw/zinc/48/36/32/654483632.db2.gz KWVBJFHOAMUJET-ZDUSSCGKSA-N 1 0 385.249 2.026 20 0 GEADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2c(I)cnn2C)c1 ZINC000894532866 654483738 /nfs/dbraw/zinc/48/37/38/654483738.db2.gz NUPVKBPOWZCSAK-CYBMUJFWSA-N 1 0 385.249 2.026 20 0 GEADRO C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000923795182 654483886 /nfs/dbraw/zinc/48/38/86/654483886.db2.gz JGBVRHGALJWRGK-GFCCVEGCSA-N 1 0 399.285 2.430 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2cccn3ncc(Br)c23)CCSC1 ZINC000906899584 654484677 /nfs/dbraw/zinc/48/46/77/654484677.db2.gz ANJRSIXBIVDOOS-OAHLLOKOSA-N 1 0 383.315 2.264 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000923896525 654487303 /nfs/dbraw/zinc/48/73/03/654487303.db2.gz WMVDZYXEOYUIJE-AWEZNQCLSA-N 1 0 394.269 2.373 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000856733501 654487852 /nfs/dbraw/zinc/48/78/52/654487852.db2.gz CYJSEGFAMARBEL-CQSZACIVSA-N 1 0 388.555 2.456 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)C[C@H](C)O1 ZINC000906930312 654489059 /nfs/dbraw/zinc/48/90/59/654489059.db2.gz GFEVUNCMOLRSHX-GRYCIOLGSA-N 1 0 375.724 2.113 20 0 GEADRO C[NH+](C)Cc1ccccc1CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000856741946 654489200 /nfs/dbraw/zinc/48/92/00/654489200.db2.gz FJOIKXVJBPRWBG-UHFFFAOYSA-N 1 0 393.285 2.167 20 0 GEADRO O=C(NCc1ncc(Br)s1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000923946590 654492274 /nfs/dbraw/zinc/49/22/74/654492274.db2.gz PNMHMIXJKTYGFS-VHSXEESVSA-N 1 0 391.360 2.285 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000894661887 654493320 /nfs/dbraw/zinc/49/33/20/654493320.db2.gz FCEBBTGFMUENIT-CYBMUJFWSA-N 1 0 385.249 2.108 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000894671725 654493647 /nfs/dbraw/zinc/49/36/47/654493647.db2.gz FMNZLXMGLDHKDU-MRXNPFEDSA-N 1 0 384.318 2.344 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000894671723 654493753 /nfs/dbraw/zinc/49/37/53/654493753.db2.gz FMNZLXMGLDHKDU-INIZCTEOSA-N 1 0 384.318 2.344 20 0 GEADRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856779311 654494147 /nfs/dbraw/zinc/49/41/47/654494147.db2.gz WGAGTRWCOOIPJC-SECBINFHSA-N 1 0 381.782 2.426 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906971518 654494424 /nfs/dbraw/zinc/49/44/24/654494424.db2.gz JVNMFONBIDMMGH-ZUZCIYMTSA-N 1 0 380.286 2.158 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)[C@@H](C)C1 ZINC000906982670 654495680 /nfs/dbraw/zinc/49/56/80/654495680.db2.gz ZBVPHLQNBYYBBC-JQWIXIFHSA-N 1 0 378.878 2.070 20 0 GEADRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H]3CC3(Cl)Cl)cn2)CC1 ZINC000856821169 654496062 /nfs/dbraw/zinc/49/60/62/654496062.db2.gz LWUBKPDFXBBXJS-CQSZACIVSA-N 1 0 386.327 2.217 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2COCO2)CC1 ZINC000894879479 654503563 /nfs/dbraw/zinc/50/35/63/654503563.db2.gz XVVALITYAVIGEI-HNNXBMFYSA-N 1 0 383.286 2.325 20 0 GEADRO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2nc(Br)nn2C)c(OC)c1 ZINC000894888927 654503869 /nfs/dbraw/zinc/50/38/69/654503869.db2.gz LBTTYRHZCWHUML-SNVBAGLBSA-N 1 0 399.289 2.324 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(I)n1 ZINC000894890209 654503934 /nfs/dbraw/zinc/50/39/34/654503934.db2.gz ZPUDMYLXLZNEQM-JHJVBQTASA-N 1 0 375.254 2.150 20 0 GEADRO Cc1c(Br)cc(-c2noc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c(=O)n1C ZINC000924171077 654503861 /nfs/dbraw/zinc/50/38/61/654503861.db2.gz OMXBTDZNDMWOED-MFKMUULPSA-N 1 0 395.257 2.042 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(I)n1 ZINC000894890212 654503974 /nfs/dbraw/zinc/50/39/74/654503974.db2.gz ZPUDMYLXLZNEQM-YNEHKIRRSA-N 1 0 375.254 2.150 20 0 GEADRO Cn1cc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c(I)n1 ZINC000894907808 654504976 /nfs/dbraw/zinc/50/49/76/654504976.db2.gz XCFSUINWJYYRHQ-UONOGXRCSA-N 1 0 398.248 2.430 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000894939701 654506984 /nfs/dbraw/zinc/50/69/84/654506984.db2.gz DWWCJXQACGATCY-UHFFFAOYSA-N 1 0 377.270 2.446 20 0 GEADRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1CCc1ccc(Br)s1 ZINC000924454148 654513329 /nfs/dbraw/zinc/51/33/29/654513329.db2.gz HUTOAJABQFAZMJ-LBPRGKRZSA-N 1 0 386.315 2.459 20 0 GEADRO Cn1cc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)c(Br)n1 ZINC000924549136 654516936 /nfs/dbraw/zinc/51/69/36/654516936.db2.gz GCFIGJJXECZNPZ-UHFFFAOYSA-N 1 0 384.322 2.343 20 0 GEADRO Cn1cc(CNC(=O)N2CCC3(CC2)CC[NH+](C)CC3)c(Br)n1 ZINC000924561050 654518826 /nfs/dbraw/zinc/51/88/26/654518826.db2.gz GULGQXUXEDUFDA-UHFFFAOYSA-N 1 0 384.322 2.200 20 0 GEADRO Cc1cc(OCC(=O)NC2(CCO)CC[NH+](C)CC2)ccc1Br ZINC000907239315 654522754 /nfs/dbraw/zinc/52/27/54/654522754.db2.gz UTKYTNOEKAKDNY-UHFFFAOYSA-N 1 0 385.302 2.099 20 0 GEADRO C[C@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)N1CCc2sccc2C1 ZINC000924814921 654525746 /nfs/dbraw/zinc/52/57/46/654525746.db2.gz ULNKRRAWKAUBMT-HUUCEWRRSA-N 1 0 385.599 2.144 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1nc(Br)ccc1F ZINC000924878887 654527582 /nfs/dbraw/zinc/52/75/82/654527582.db2.gz KRQDQPBZFBNXKQ-SNVBAGLBSA-N 1 0 394.310 2.305 20 0 GEADRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cc(CO)on1 ZINC000924889651 654527829 /nfs/dbraw/zinc/52/78/29/654527829.db2.gz DWRNGKNQBARYJW-LLVKDONJSA-N 1 0 382.258 2.400 20 0 GEADRO CCS(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000924891356 654528179 /nfs/dbraw/zinc/52/81/79/654528179.db2.gz ZKSKTEQXZOKWRC-SNVBAGLBSA-N 1 0 381.420 2.033 20 0 GEADRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000924905894 654528722 /nfs/dbraw/zinc/52/87/22/654528722.db2.gz FDGQGVIGNVNSEP-WFASDCNBSA-N 1 0 382.302 2.216 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1ccnnc1 ZINC000924920753 654528965 /nfs/dbraw/zinc/52/89/65/654528965.db2.gz RHFLMQDZDUSZNJ-FZMZJTMJSA-N 1 0 399.232 2.172 20 0 GEADRO C[NH+](C)C[C@H]1NC(=O)N([C@H]2CSCc3ccc(Br)cc32)C1=O ZINC000924984390 654530641 /nfs/dbraw/zinc/53/06/41/654530641.db2.gz SOKWFLBYHWSAOU-OLZOCXBDSA-N 1 0 384.299 2.219 20 0 GEADRO C[C@@H](CCNC(=O)c1cc2ncc(Br)cn2n1)[NH+]1CCCCC1 ZINC000907341226 654533617 /nfs/dbraw/zinc/53/36/17/654533617.db2.gz OPOSTQMJATWCGQ-LBPRGKRZSA-N 1 0 380.290 2.486 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3O4)C2)s1 ZINC000907344321 654533748 /nfs/dbraw/zinc/53/37/48/654533748.db2.gz GCLZPVAALDWVCT-ATLSCFEFSA-N 1 0 384.567 2.460 20 0 GEADRO CCOC(=O)CCS(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907345863 654534220 /nfs/dbraw/zinc/53/42/20/654534220.db2.gz KMQDYZRLNZTYAQ-HNNXBMFYSA-N 1 0 388.555 2.093 20 0 GEADRO CCn1cc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cn1 ZINC000907344855 654534234 /nfs/dbraw/zinc/53/42/34/654534234.db2.gz GTNFPCXPBXMIQG-OAHLLOKOSA-N 1 0 382.555 2.416 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)C[C@H]1[NH+]1CCCC1 ZINC000907355118 654535358 /nfs/dbraw/zinc/53/53/58/654535358.db2.gz VBJIGQICZZHNOC-GMTAPVOTSA-N 1 0 375.749 2.146 20 0 GEADRO CCSc1ccccc1C[C@H](C)[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000925224416 654538232 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GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000927823843 654616010 /nfs/dbraw/zinc/61/60/10/654616010.db2.gz IKMYRKCQOUFKIV-RKDXNWHRSA-N 1 0 390.228 2.028 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000927829798 654616191 /nfs/dbraw/zinc/61/61/91/654616191.db2.gz LPPJMXMHSHGAJI-VXGBXAGGSA-N 1 0 398.301 2.230 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C[C@H]1CC[NH3+] ZINC000927828783 654616282 /nfs/dbraw/zinc/61/62/82/654616282.db2.gz JHAJRJPSRFCMAD-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO CSc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1C ZINC000927848007 654617140 /nfs/dbraw/zinc/61/71/40/654617140.db2.gz ZNHSVUZXLUNAMC-MNOVXSKESA-N 1 0 375.416 2.394 20 0 GEADRO CSc1ccc(C)c(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000927846458 654617145 /nfs/dbraw/zinc/61/71/45/654617145.db2.gz QMWXVNOWSFHZMQ-NEPJUHHUSA-N 1 0 375.416 2.394 20 0 GEADRO CCSc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000927849806 654617421 /nfs/dbraw/zinc/61/74/21/654617421.db2.gz WQGFBOADNGIADJ-CHWSQXEVSA-N 1 0 375.416 2.475 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C[C@@H]1[NH3+] ZINC000927852418 654617642 /nfs/dbraw/zinc/61/76/42/654617642.db2.gz DUJUTTIDLLUQHA-LBPRGKRZSA-N 1 0 375.416 2.317 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC000927863835 654618156 /nfs/dbraw/zinc/61/81/56/654618156.db2.gz TVVXIXMMJBAGEB-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000927870086 654618543 /nfs/dbraw/zinc/61/85/43/654618543.db2.gz PCPZVWVDAUQRGO-RHSMWYFYSA-N 1 0 380.286 2.344 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000927869655 654618690 /nfs/dbraw/zinc/61/86/90/654618690.db2.gz GFGZJFOGGGNEKZ-RHSMWYFYSA-N 1 0 380.286 2.344 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000927886900 654619807 /nfs/dbraw/zinc/61/98/07/654619807.db2.gz QXTOAVXEKLBMAU-QMMMGPOBSA-N 1 0 392.656 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380.583 2.444 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1ccc(Br)cc1Cl ZINC000908453298 654630406 /nfs/dbraw/zinc/63/04/06/654630406.db2.gz VOQHHGNNYOCBHD-DOMZBBRYSA-N 1 0 375.694 2.216 20 0 GEADRO O=C(CCc1nc(-c2cccs2)no1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928096902 654630669 /nfs/dbraw/zinc/63/06/69/654630669.db2.gz NNNXKRISDMQFJA-STQMWFEESA-N 1 0 378.523 2.427 20 0 GEADRO O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928097528 654631065 /nfs/dbraw/zinc/63/10/65/654631065.db2.gz PUBOIVLAELHHRM-ZIAGYGMSSA-N 1 0 378.523 2.427 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000908610909 654635721 /nfs/dbraw/zinc/63/57/21/654635721.db2.gz UTWNXSGUFNJIPY-UHFFFAOYSA-N 1 0 399.285 2.143 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC000928364138 654645108 /nfs/dbraw/zinc/64/51/08/654645108.db2.gz QKKCHNBQQJZYNN-INIZCTEOSA-N 1 0 381.318 2.145 20 0 GEADRO C[C@@H]1[C@H](NC(=O)c2ccnc(Cl)c2I)CC[N@@H+]1C ZINC000928440720 654647548 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C[NH+](C)CC[C@H](NC(=O)CCn1cc(Br)cn1)c1cccnc1 ZINC000928837358 654661986 /nfs/dbraw/zinc/66/19/86/654661986.db2.gz UWCNYZTXLHWSDI-HNNXBMFYSA-N 1 0 380.290 2.240 20 0 GEADRO O[C@H](C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1)C1(O)CCOCC1 ZINC000929346995 654680556 /nfs/dbraw/zinc/68/05/56/654680556.db2.gz ACEYTLXBRDMZKJ-IAGOWNOFSA-N 1 0 384.314 2.358 20 0 GEADRO Nc1nc(Br)ccc1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000929418865 654683304 /nfs/dbraw/zinc/68/33/04/654683304.db2.gz NYISPYBKWZFCKK-UHFFFAOYSA-N 1 0 383.334 2.361 20 0 GEADRO CC1CC[NH+](CCCNC(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000929430728 654683836 /nfs/dbraw/zinc/68/38/36/654683836.db2.gz GJHGPYVVLPZRLD-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO CC[NH+]1CCC(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000929459614 654684593 /nfs/dbraw/zinc/68/45/93/654684593.db2.gz KDMLOJCJWLOZGJ-ZDUSSCGKSA-N 1 0 380.286 2.475 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000929463636 654684856 /nfs/dbraw/zinc/68/48/56/654684856.db2.gz YFUUFZOIJCOXJL-TZMCWYRMSA-N 1 0 380.286 2.475 20 0 GEADRO C[NH+]1CCC(OCC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000929579551 654688049 /nfs/dbraw/zinc/68/80/49/654688049.db2.gz DTDTVFGHQPZCBP-UHFFFAOYSA-N 1 0 385.258 2.270 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)s1 ZINC000929660026 654689695 /nfs/dbraw/zinc/68/96/95/654689695.db2.gz OTPGNMHXFUDEKB-OAHLLOKOSA-N 1 0 387.571 2.268 20 0 GEADRO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)oc1Br ZINC000929683714 654690142 /nfs/dbraw/zinc/69/01/42/654690142.db2.gz WHZYHNDTVLRKLQ-UHFFFAOYSA-N 1 0 393.285 2.427 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)[C@H](C)C1 ZINC000910290221 654695378 /nfs/dbraw/zinc/69/53/78/654695378.db2.gz YSRWMUWGEYOILQ-GFCCVEGCSA-N 1 0 386.290 2.057 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@H](C)C1 ZINC000910297869 654695441 /nfs/dbraw/zinc/69/54/41/654695441.db2.gz LIMJCSHQWGPNIK-CYBMUJFWSA-N 1 0 387.933 2.147 20 0 GEADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)c1ccnn1CC[NH+](C)C ZINC000910424310 654699709 /nfs/dbraw/zinc/69/97/09/654699709.db2.gz NLUGJGUWTYIWNG-INIZCTEOSA-N 1 0 395.301 2.013 20 0 GEADRO COc1cc(Br)cc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000930204144 654701741 /nfs/dbraw/zinc/70/17/41/654701741.db2.gz HUNCHSPHPYRNTB-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO Cn1cc(Br)c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1=O ZINC000930231026 654702514 /nfs/dbraw/zinc/70/25/14/654702514.db2.gz NQPAYROCGWFWJJ-HNNXBMFYSA-N 1 0 384.318 2.388 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1cscc1Br ZINC000910597317 654704059 /nfs/dbraw/zinc/70/40/59/654704059.db2.gz OYOYXNCGTJPOPO-UHFFFAOYSA-N 1 0 388.331 2.023 20 0 GEADRO C[C@](O)(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000930368490 654707468 /nfs/dbraw/zinc/70/74/68/654707468.db2.gz SZTZECFSWJAATF-APPDUMDISA-N 1 0 385.277 2.396 20 0 GEADRO CCCSc1nsc(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000930401822 654709057 /nfs/dbraw/zinc/70/90/57/654709057.db2.gz LVYQAOGURJAFDR-CYBMUJFWSA-N 1 0 384.575 2.284 20 0 GEADRO CN1CCN(C(=O)Nc2cc(F)c(Br)cc2F)CC[N@H+](C)CC1 ZINC000930531088 654712544 /nfs/dbraw/zinc/71/25/44/654712544.db2.gz YTMRFAWPSGLFKP-UHFFFAOYSA-N 1 0 391.260 2.438 20 0 GEADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2sc(N(C)C)nc2Cl)CC1 ZINC000910872699 654713142 /nfs/dbraw/zinc/71/31/42/654713142.db2.gz CCXWCSAIADBMPI-UHFFFAOYSA-N 1 0 388.965 2.417 20 0 GEADRO OC[C@@H]([NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccc(Br)c(F)c1 ZINC000930557306 654713357 /nfs/dbraw/zinc/71/33/57/654713357.db2.gz DLYAVNCHCDTOMK-SWLSCSKDSA-N 1 0 376.266 2.267 20 0 GEADRO C[C@@H]1CN(Cc2c(I)cnn2C)CC[N@@H+](C2CCC2)C1 ZINC000930559333 654713467 /nfs/dbraw/zinc/71/34/67/654713467.db2.gz OSDUDQCIDRWUQW-GFCCVEGCSA-N 1 0 388.297 2.331 20 0 GEADRO CSC[C@@H]1CCC[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000930560461 654713662 /nfs/dbraw/zinc/71/36/62/654713662.db2.gz PXIZRBPXVRVSMP-HUUCEWRRSA-N 1 0 378.604 2.063 20 0 GEADRO COc1cc(F)c(Br)cc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000910917178 654713890 /nfs/dbraw/zinc/71/38/90/654713890.db2.gz NFUXRFWNFYYXLI-HNNXBMFYSA-N 1 0 375.238 2.382 20 0 GEADRO O[C@@H](C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)C1(O)CCOCC1 ZINC000930569459 654714115 /nfs/dbraw/zinc/71/41/15/654714115.db2.gz SRZIMEGNBWXQAN-RDJZCZTQSA-N 1 0 384.314 2.216 20 0 GEADRO COC(=O)c1cc(Br)cc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1C ZINC000910924778 654714196 /nfs/dbraw/zinc/71/41/96/654714196.db2.gz DWTIOAPUEBOBGG-CYBMUJFWSA-N 1 0 397.269 2.203 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1)C(C)C ZINC000911029233 654715708 /nfs/dbraw/zinc/71/57/08/654715708.db2.gz LWMSSGBTKRKEBZ-CQSZACIVSA-N 1 0 398.345 2.343 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H](c2cccs2)C2CC2)CC[C@@H]1C(F)(F)F ZINC000911048175 654716240 /nfs/dbraw/zinc/71/62/40/654716240.db2.gz ZGQCVMRHWWLMPB-LOWVWBTDSA-N 1 0 375.416 2.054 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(F)cc(Br)c1 ZINC000911256146 654720808 /nfs/dbraw/zinc/72/08/08/654720808.db2.gz QHCJKOLOCKTWDU-BYNSBNAKSA-N 1 0 398.276 2.165 20 0 GEADRO O=C(NCc1ccccc1SC(F)(F)F)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911273209 654721126 /nfs/dbraw/zinc/72/11/26/654721126.db2.gz ASRDBLBZLINPBG-LLVKDONJSA-N 1 0 375.416 2.031 20 0 GEADRO Cc1c(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)n(C)nc1C(F)(F)F ZINC000930853682 654721928 /nfs/dbraw/zinc/72/19/28/654721928.db2.gz VCRBEINDQIRPAG-WDEREUQCSA-N 1 0 377.436 2.449 20 0 GEADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)NCCSCCC(F)(F)F)CC1 ZINC000911357940 654723093 /nfs/dbraw/zinc/72/30/93/654723093.db2.gz JTNVNAQIZOLPQK-UHFFFAOYSA-N 1 0 383.480 2.012 20 0 GEADRO CCCN(C(=O)C(=O)NCCc1cccc(Br)c1C)[C@H]1CC[NH2+]C1 ZINC000911425880 654723887 /nfs/dbraw/zinc/72/38/87/654723887.db2.gz BEWAKJWVEFUCCJ-HNNXBMFYSA-N 1 0 396.329 2.017 20 0 GEADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000911428574 654723894 /nfs/dbraw/zinc/72/38/94/654723894.db2.gz QAWSDBRAWWCKBJ-DZGCQCFKSA-N 1 0 396.329 2.002 20 0 GEADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000911429012 654723908 /nfs/dbraw/zinc/72/39/08/654723908.db2.gz QAWSDBRAWWCKBJ-HIFRSBDPSA-N 1 0 396.329 2.002 20 0 GEADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000911552526 654725854 /nfs/dbraw/zinc/72/58/54/654725854.db2.gz YLJWKHCTSOFCBK-KGYLQXTDSA-N 1 0 398.326 2.011 20 0 GEADRO CC[NH2+]Cc1ccccc1NC(=O)c1cn(C)nc1I ZINC000911685255 654729668 /nfs/dbraw/zinc/72/96/68/654729668.db2.gz MOQBAFSKORVFLW-UHFFFAOYSA-N 1 0 384.221 2.387 20 0 GEADRO Cc1c(C(=O)NCC2CC[NH2+]CC2)nnn1-c1ccccc1Br ZINC000911672603 654729727 /nfs/dbraw/zinc/72/97/27/654729727.db2.gz NEEKJSTUVKSWPI-UHFFFAOYSA-N 1 0 378.274 2.068 20 0 GEADRO C[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000911719143 654730448 /nfs/dbraw/zinc/73/04/48/654730448.db2.gz KTIQXEAOXJYXPS-WDMOLILDSA-N 1 0 380.286 2.379 20 0 GEADRO C[C@H](NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[C@@H]1CCC[NH2+]C1 ZINC000911726294 654730727 /nfs/dbraw/zinc/73/07/27/654730727.db2.gz UAWMWGKZSIXIJV-DMDPSCGWSA-N 1 0 380.286 2.379 20 0 GEADRO COc1ccc(Br)cc1[C@@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911735582 654730955 /nfs/dbraw/zinc/73/09/55/654730955.db2.gz WNVRRAFYRHZNSJ-QGZVFWFLSA-N 1 0 392.297 2.275 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)cc(Br)c1F ZINC000931190205 654732393 /nfs/dbraw/zinc/73/23/93/654732393.db2.gz QPTAVPIJTZATJS-GHMZBOCLSA-N 1 0 375.213 2.320 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)c1cc(Br)cnc1Br)C1CC1 ZINC000911802647 654732406 /nfs/dbraw/zinc/73/24/06/654732406.db2.gz KMGFGMSUHODTDL-LBPRGKRZSA-N 1 0 377.080 2.464 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H]2c3cccc(Br)c3NC2=O)C1 ZINC000911826894 654733271 /nfs/dbraw/zinc/73/32/71/654733271.db2.gz SIDVFVBCYNSDSM-GVXVVHGQSA-N 1 0 380.286 2.461 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855867 654734339 /nfs/dbraw/zinc/73/43/39/654734339.db2.gz JAWMSEBMMKPRLD-MDZLAQPJSA-N 1 0 378.270 2.228 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000911876249 654734823 /nfs/dbraw/zinc/73/48/23/654734823.db2.gz YWRJTHQSCZAXMB-UHFFFAOYSA-N 1 0 393.285 2.362 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)CCc2cc(Br)cs2)CC1 ZINC000911938238 654736952 /nfs/dbraw/zinc/73/69/52/654736952.db2.gz FNOFSEBEHHEBIQ-UHFFFAOYSA-N 1 0 375.332 2.358 20 0 GEADRO CCOC(=O)CSc1nnc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)s1 ZINC000911972649 654738308 /nfs/dbraw/zinc/73/83/08/654738308.db2.gz XQFNZBABLKUXLO-TUAOUCFPSA-N 1 0 384.527 2.443 20 0 GEADRO C[NH+](C)C1(C)CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000931353163 654739048 /nfs/dbraw/zinc/73/90/48/654739048.db2.gz LXHSRLBIEUSRAB-UHFFFAOYSA-N 1 0 387.933 2.098 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)Nc2ccnn2C2CCCC2)c1=O ZINC000912051223 654741355 /nfs/dbraw/zinc/74/13/55/654741355.db2.gz FXJJOHGWRTVJHG-UHFFFAOYSA-N 1 0 394.273 2.133 20 0 GEADRO CCN(CC)C(=O)CN(C)C(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000912056703 654741545 /nfs/dbraw/zinc/74/15/45/654741545.db2.gz UZXNQGFVEBAYCA-HNNXBMFYSA-N 1 0 384.318 2.036 20 0 GEADRO C[NH+]1CCC(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000931430342 654742250 /nfs/dbraw/zinc/74/22/50/654742250.db2.gz AFHRZHQRUJFMNX-CYBMUJFWSA-N 1 0 380.286 2.333 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@H]43)n2)s1 ZINC000912077496 654742268 /nfs/dbraw/zinc/74/22/68/654742268.db2.gz MIFGESYQMOESPH-SUNKGSAMSA-N 1 0 397.547 2.141 20 0 GEADRO C[C@H](c1ccccc1)N(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912078654 654742452 /nfs/dbraw/zinc/74/24/52/654742452.db2.gz BJFBGCZLHJLXDD-GFCCVEGCSA-N 1 0 378.270 2.403 20 0 GEADRO Cc1ncc([C@H](C)[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000931468617 654743183 /nfs/dbraw/zinc/74/31/83/654743183.db2.gz ZEISPYCZLASQHE-SMDDNHRTSA-N 1 0 375.560 2.104 20 0 GEADRO CC(C)CCn1nccc1NC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912153736 654743939 /nfs/dbraw/zinc/74/39/39/654743939.db2.gz VJKQJLUBUFRPQA-UHFFFAOYSA-N 1 0 396.289 2.064 20 0 GEADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000912153915 654744205 /nfs/dbraw/zinc/74/42/05/654744205.db2.gz YXWRMGHLQZOCPE-QGZVFWFLSA-N 1 0 388.295 2.285 20 0 GEADRO Nc1cc[nH+]c2c1CN(CCS(=O)(=O)c1cccc(Br)c1)CC2 ZINC000931512816 654744928 /nfs/dbraw/zinc/74/49/28/654744928.db2.gz NRLQYHMOINDMHT-UHFFFAOYSA-N 1 0 396.310 2.258 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N[C@@H](c1nccs1)C(F)(F)F ZINC000931556579 654746563 /nfs/dbraw/zinc/74/65/63/654746563.db2.gz ABGGTZAWJKEHEN-NEPJUHHUSA-N 1 0 378.420 2.299 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1nscc1I ZINC000912283229 654748644 /nfs/dbraw/zinc/74/86/44/654748644.db2.gz IBHANTGHQPHGMV-QMMMGPOBSA-N 1 0 379.267 2.350 20 0 GEADRO C[C@H]1[C@H](NC(=O)Nc2cc(N3CCOCC3)ccc2Br)CC[N@@H+]1C ZINC000931662498 654751937 /nfs/dbraw/zinc/75/19/37/654751937.db2.gz ZHHRIWKKJAIKPR-SWLSCSKDSA-N 1 0 397.317 2.500 20 0 GEADRO CCNC(=O)CN(CC)C(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912455773 654754601 /nfs/dbraw/zinc/75/46/01/654754601.db2.gz YLHMYHFMWSQYBE-UHFFFAOYSA-N 1 0 396.329 2.055 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000912604324 654760713 /nfs/dbraw/zinc/76/07/13/654760713.db2.gz ZGTSVDCZVOESNR-UHFFFAOYSA-N 1 0 399.207 2.344 20 0 GEADRO Cc1cc(C(=O)N(C)CC[N@H+](C)CCO)c2cc(Br)ccc2n1 ZINC000912607091 654760780 /nfs/dbraw/zinc/76/07/80/654760780.db2.gz QFPCAOLPZGBTSS-UHFFFAOYSA-N 1 0 380.286 2.302 20 0 GEADRO Cc1cc(C(=O)N(C)CC[N@H+](C)CCO)c2ccc(Br)cc2n1 ZINC000912608685 654761092 /nfs/dbraw/zinc/76/10/92/654761092.db2.gz KXTVAAOVWNGISL-UHFFFAOYSA-N 1 0 380.286 2.302 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000931897452 654761131 /nfs/dbraw/zinc/76/11/31/654761131.db2.gz OKGXIZYYQLPTFE-ZDUSSCGKSA-N 1 0 380.286 2.429 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931999794 654763588 /nfs/dbraw/zinc/76/35/88/654763588.db2.gz UQQKMZAIKDTWNY-DOMZBBRYSA-N 1 0 381.270 2.397 20 0 GEADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ncc(Br)cn2)cc1 ZINC000931997036 654763641 /nfs/dbraw/zinc/76/36/41/654763641.db2.gz 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COCCS(=O)(=O)CCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932211931 654770623 /nfs/dbraw/zinc/77/06/23/654770623.db2.gz JCFXGCUTDAJXHU-CQSZACIVSA-N 1 0 392.315 2.314 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC([NH+]2CCC2)CC1)c1cccc(Br)c1 ZINC000912884862 654772491 /nfs/dbraw/zinc/77/24/91/654772491.db2.gz GATHOTKXJOQGNE-KRWDZBQOSA-N 1 0 394.313 2.323 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2n[nH]cc2I)C1 ZINC000912886937 654772936 /nfs/dbraw/zinc/77/29/36/654772936.db2.gz NDMPLWMAXCVEMK-GFCCVEGCSA-N 1 0 380.205 2.165 20 0 GEADRO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920052 654774116 /nfs/dbraw/zinc/77/41/16/654774116.db2.gz QAXWPONAEKUVEQ-ZIAGYGMSSA-N 1 0 392.297 2.109 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912922047 654774468 /nfs/dbraw/zinc/77/44/68/654774468.db2.gz MFADKEYAJDIQLX-AWEZNQCLSA-N 1 0 377.901 2.194 20 0 GEADRO COc1cc(/C=C/C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc(Br)c1O ZINC000912921603 654774482 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387.914 2.082 20 0 GEADRO C[C@H](NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1)C(=O)N(C)C ZINC000170779425 531892078 /nfs/dbraw/zinc/89/20/78/531892078.db2.gz NSEYENGVKOWELI-LBPRGKRZSA-N 1 0 382.302 2.011 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC(C)(C)O)CC2)c(Br)c1 ZINC000171152630 531896321 /nfs/dbraw/zinc/89/63/21/531896321.db2.gz RZLMYJNXFRHDLQ-CQSZACIVSA-N 1 0 398.345 2.473 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000171254524 531899718 /nfs/dbraw/zinc/89/97/18/531899718.db2.gz DPKDAYKTLKCRLS-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000068117754 531897897 /nfs/dbraw/zinc/89/78/97/531897897.db2.gz PSNGGYXMQXDPCX-ZFWWWQNUSA-N 1 0 387.571 2.042 20 0 GEADRO Cc1csc([C@](O)(CC(=O)NCC[NH+]2CCC(C)CC2)C(F)(F)F)n1 ZINC000067709737 531886907 /nfs/dbraw/zinc/88/69/07/531886907.db2.gz KEJZVLUQIRGQKT-OAHLLOKOSA-N 1 0 379.448 2.440 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000170735341 531890041 /nfs/dbraw/zinc/89/00/41/531890041.db2.gz OPBTYFPAGIFZMW-NSHDSACASA-N 1 0 391.331 2.313 20 0 GEADRO C[C@H](C[NH2+]Cc1cn(C)c(=O)n(C)c1=O)Sc1ccc(Br)cc1 ZINC000068996329 531909776 /nfs/dbraw/zinc/90/97/76/531909776.db2.gz KFQXGWGSSQVQSM-LLVKDONJSA-N 1 0 398.326 2.117 20 0 GEADRO O=C(NCCc1ccc(Br)s1)NCC1CC[NH+](CCO)CC1 ZINC000171899742 531922899 /nfs/dbraw/zinc/92/28/99/531922899.db2.gz WSPMCEOLNCNGGR-UHFFFAOYSA-N 1 0 390.347 2.057 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000071972594 531915559 /nfs/dbraw/zinc/91/55/59/531915559.db2.gz CJXOIIBBZHWIBY-LBPRGKRZSA-N 1 0 380.341 2.155 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(I)ccc1O ZINC000171763787 531916424 /nfs/dbraw/zinc/91/64/24/531916424.db2.gz ZPHDFZRAUFVWDD-JTQLQIEISA-N 1 0 386.233 2.211 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000093990643 531929074 /nfs/dbraw/zinc/92/90/74/531929074.db2.gz LRQNPUFXNHTPJC-BPLDGKMQSA-N 1 0 394.313 2.401 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000172120905 531934752 /nfs/dbraw/zinc/93/47/52/531934752.db2.gz AJDLEKJATVJWLZ-UHFFFAOYSA-N 1 0 392.859 2.342 20 0 GEADRO COc1c(Br)cc(C[NH2+]C[C@](C)(O)CO)cc1Br ZINC000097514556 531936309 /nfs/dbraw/zinc/93/63/09/531936309.db2.gz GSMKBIOWGJISAA-LBPRGKRZSA-N 1 0 383.080 2.053 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000097602712 531938047 /nfs/dbraw/zinc/93/80/47/531938047.db2.gz GJGZIEBJJJTOPX-CMPLNLGQSA-N 1 0 377.304 2.219 20 0 GEADRO C[NH+](C)Cc1ccc(CNC(=O)c2cnn3cc(Br)cnc23)cc1 ZINC000093906158 531927432 /nfs/dbraw/zinc/92/74/32/531927432.db2.gz ADMXJTCUIZPNFN-UHFFFAOYSA-N 1 0 388.269 2.483 20 0 GEADRO C[C@H](CNC(=O)CNC(=O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000109119279 531942631 /nfs/dbraw/zinc/94/26/31/531942631.db2.gz SQTGNQLXANMPJK-CYBMUJFWSA-N 1 0 382.302 2.027 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000113645759 531951682 /nfs/dbraw/zinc/95/16/82/531951682.db2.gz 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O=C(Nc1cccnc1Br)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000120340362 531982573 /nfs/dbraw/zinc/98/25/73/531982573.db2.gz CHWSLKIKKLYSGT-GFCCVEGCSA-N 1 0 383.290 2.467 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000173118916 531988418 /nfs/dbraw/zinc/98/84/18/531988418.db2.gz MCUVYMVRWPQEDQ-UHFFFAOYSA-N 1 0 390.347 2.195 20 0 GEADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000173102943 531988524 /nfs/dbraw/zinc/98/85/24/531988524.db2.gz LFSQTTYBZPXDPL-LLVKDONJSA-N 1 0 377.279 2.447 20 0 GEADRO CC(C)OCCN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000173163939 531990802 /nfs/dbraw/zinc/99/08/02/531990802.db2.gz OJIYCCNKRUPGEJ-UHFFFAOYSA-N 1 0 384.318 2.430 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(Br)c1 ZINC000173218618 531995922 /nfs/dbraw/zinc/99/59/22/531995922.db2.gz ZQVLRGJNRHZQAK-CYBMUJFWSA-N 1 0 378.270 2.169 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000120822430 531996900 /nfs/dbraw/zinc/99/69/00/531996900.db2.gz TVEOOKMBFPAYRE-OAHLLOKOSA-N 1 0 385.302 2.052 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cn(C)c2=O)[C@H](C)C1 ZINC000120935633 532002642 /nfs/dbraw/zinc/00/26/42/532002642.db2.gz XQWSCMIUYOSAQU-RISCZKNCSA-N 1 0 385.306 2.342 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000173428848 532010820 /nfs/dbraw/zinc/01/08/20/532010820.db2.gz JWZXOZCQFFOWAC-UHFFFAOYSA-N 1 0 399.738 2.349 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000121092858 532013319 /nfs/dbraw/zinc/01/33/19/532013319.db2.gz BPJLGCJMRZCSCO-UHFFFAOYSA-N 1 0 395.301 2.251 20 0 GEADRO CC[C@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2cccc(Br)c2)CC1 ZINC000121077398 532011941 /nfs/dbraw/zinc/01/19/41/532011941.db2.gz BPINLWLGHRAABH-CVEARBPZSA-N 1 0 385.302 2.052 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1Br ZINC000121129244 532014169 /nfs/dbraw/zinc/01/41/69/532014169.db2.gz DDVCONHRUWOKTJ-NWDGAFQWSA-N 1 0 380.286 2.437 20 0 GEADRO COCCn1c(=O)c2cc(Br)ccc2nc1SCC[NH+](C)C 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GEADRO C[NH+](C)Cc1cc(CNC(=O)c2c[nH]c(=O)c(Br)c2)ccc1F ZINC000173771656 532031945 /nfs/dbraw/zinc/03/19/45/532031945.db2.gz FWOOIYHZSFTGRA-UHFFFAOYSA-N 1 0 382.233 2.268 20 0 GEADRO C[C@H](O)CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000173818674 532035741 /nfs/dbraw/zinc/03/57/41/532035741.db2.gz JMIRCPZZHGWKIB-QWRGUYRKSA-N 1 0 376.238 2.321 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000121613086 532038883 /nfs/dbraw/zinc/03/88/83/532038883.db2.gz HVJVUAJJSOGHRD-NSHDSACASA-N 1 0 388.331 2.041 20 0 GEADRO Cn1cc(Br)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000121943661 532053751 /nfs/dbraw/zinc/05/37/51/532053751.db2.gz UBMBFRIYGFANRL-ZBFHGGJFSA-N 1 0 384.318 2.285 20 0 GEADRO CC[C@H](CO)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000174140835 532052168 /nfs/dbraw/zinc/05/21/68/532052168.db2.gz AYIRGZWWHKHHCK-XJKSGUPXSA-N 1 0 384.318 2.165 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000174129977 532052463 /nfs/dbraw/zinc/05/24/63/532052463.db2.gz OYDQLQPAXPFXSR-KBPBESRZSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174196929 532054970 /nfs/dbraw/zinc/05/49/70/532054970.db2.gz VVXAFFNOUMFFPY-LSDHHAIUSA-N 1 0 397.313 2.397 20 0 GEADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c(OC(F)F)c1 ZINC000122168622 532059193 /nfs/dbraw/zinc/05/91/93/532059193.db2.gz CCLQJNLFZDXEKC-UHFFFAOYSA-N 1 0 392.449 2.426 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cnc1Br ZINC000122379883 532067154 /nfs/dbraw/zinc/06/71/54/532067154.db2.gz ZWZULSUFQPJATI-JSGCOSHPSA-N 1 0 395.301 2.034 20 0 GEADRO COCCN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000122369747 532067528 /nfs/dbraw/zinc/06/75/28/532067528.db2.gz ZFVCCIFIYXFOOO-RDJZCZTQSA-N 1 0 389.949 2.136 20 0 GEADRO Cc1cc(F)c(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1F ZINC000122386613 532069062 /nfs/dbraw/zinc/06/90/62/532069062.db2.gz UCMGZKDZEJFHBY-UHFFFAOYSA-N 1 0 376.469 2.441 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccnc1Br ZINC000122428823 532070289 /nfs/dbraw/zinc/07/02/89/532070289.db2.gz VONYVEYRXBMSIB-HUUCEWRRSA-N 1 0 382.302 2.342 20 0 GEADRO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000122521866 532073296 /nfs/dbraw/zinc/07/32/96/532073296.db2.gz OZFDNNXLXOETCW-UHFFFAOYSA-N 1 0 387.958 2.437 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccncc1Br ZINC000122515461 532072361 /nfs/dbraw/zinc/07/23/61/532072361.db2.gz YNSWQLWQNYAQPJ-CVEARBPZSA-N 1 0 382.302 2.342 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000174634500 532072416 /nfs/dbraw/zinc/07/24/16/532072416.db2.gz AMZBTOZYTHNCMA-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO CNC(=O)c1cccc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000122592962 532077537 /nfs/dbraw/zinc/07/75/37/532077537.db2.gz BIMQMBHUAWQGFY-INIZCTEOSA-N 1 0 390.281 2.167 20 0 GEADRO Cc1ccc(NC(=O)CN(C)CCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000174720760 532076114 /nfs/dbraw/zinc/07/61/14/532076114.db2.gz MHGPJZYAGFPSQL-UHFFFAOYSA-N 1 0 397.361 2.265 20 0 GEADRO Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602506709 532078940 /nfs/dbraw/zinc/07/89/40/532078940.db2.gz LILZMRSIWOFWEU-VWLOTQADSA-N 1 0 380.901 2.273 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000174831639 532080096 /nfs/dbraw/zinc/08/00/96/532080096.db2.gz MUEFFKJHYCHLCA-CQSZACIVSA-N 1 0 397.361 2.440 20 0 GEADRO C[NH+](C)CCNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000174854270 532081349 /nfs/dbraw/zinc/08/13/49/532081349.db2.gz KBUBDJWGNJJWES-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000122873879 532085378 /nfs/dbraw/zinc/08/53/78/532085378.db2.gz ASTGDMWYKOSXMO-CVEARBPZSA-N 1 0 375.296 2.380 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000122934690 532087342 /nfs/dbraw/zinc/08/73/42/532087342.db2.gz XQJOOWFRMRGTBL-UHFFFAOYSA-N 1 0 388.917 2.405 20 0 GEADRO C[N@H+](CCCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C1CCCCC1 ZINC000123216464 532095074 /nfs/dbraw/zinc/09/50/74/532095074.db2.gz FEBWNQPIMSQCRY-UHFFFAOYSA-N 1 0 388.555 2.023 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000123214072 532095891 /nfs/dbraw/zinc/09/58/91/532095891.db2.gz ZEPMHFCSYDQWCD-CXAGYDPISA-N 1 0 386.334 2.382 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1Br ZINC000175262212 532096682 /nfs/dbraw/zinc/09/66/82/532096682.db2.gz HNBRPUMDERNQLH-LBPRGKRZSA-N 1 0 389.315 2.317 20 0 GEADRO COc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000175288951 532097223 /nfs/dbraw/zinc/09/72/23/532097223.db2.gz ZMFHPGHWRCCFHY-LBPRGKRZSA-N 1 0 391.331 2.420 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC[N@@H+]1C ZINC000123307163 532097253 /nfs/dbraw/zinc/09/72/53/532097253.db2.gz AQJSEBGBWFGHCC-KGLIPLIRSA-N 1 0 385.555 2.087 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC[N@@H+]1C ZINC000123307315 532097943 /nfs/dbraw/zinc/09/79/43/532097943.db2.gz AQJSEBGBWFGHCC-KBPBESRZSA-N 1 0 385.555 2.087 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000175308852 532098361 /nfs/dbraw/zinc/09/83/61/532098361.db2.gz JJIVPIVDGPAAJV-AWEZNQCLSA-N 1 0 396.329 2.369 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(Br)cc1 ZINC000175424614 532102829 /nfs/dbraw/zinc/10/28/29/532102829.db2.gz CXSCOQLQOHIRSO-OAHLLOKOSA-N 1 0 382.302 2.227 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000175443311 532104274 /nfs/dbraw/zinc/10/42/74/532104274.db2.gz IUJLAGDBSHVUJS-HUUCEWRRSA-N 1 0 382.302 2.168 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000123763377 532107510 /nfs/dbraw/zinc/10/75/10/532107510.db2.gz UVPIRABSCXPRPU-UHFFFAOYSA-N 1 0 380.901 2.394 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000123783018 532107862 /nfs/dbraw/zinc/10/78/62/532107862.db2.gz WEOVOMOSDCOHDU-UHFFFAOYSA-N 1 0 387.322 2.210 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1Cl ZINC000123825465 532108743 /nfs/dbraw/zinc/10/87/43/532108743.db2.gz JEBFILFMCKGCAB-LBPRGKRZSA-N 1 0 388.946 2.326 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000175656259 532111305 /nfs/dbraw/zinc/11/13/05/532111305.db2.gz UGCSQCOUBHMDTM-GFCCVEGCSA-N 1 0 377.432 2.049 20 0 GEADRO CN(CCS(=O)(=O)c1cccc(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000175678916 532111531 /nfs/dbraw/zinc/11/15/31/532111531.db2.gz AGRGWJGLMIPFFK-AWEZNQCLSA-N 1 0 389.359 2.496 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000123492458 532100039 /nfs/dbraw/zinc/10/00/39/532100039.db2.gz BIKAJZDKTOAKAR-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000175336858 532100953 /nfs/dbraw/zinc/10/09/53/532100953.db2.gz AOEOCRIQIBJZHE-UHFFFAOYSA-N 1 0 385.306 2.419 20 0 GEADRO O=C(COc1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175841476 532116788 /nfs/dbraw/zinc/11/67/88/532116788.db2.gz YJACRPHKSDUUNG-UHFFFAOYSA-N 1 0 383.286 2.151 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1Br ZINC000175900616 532118916 /nfs/dbraw/zinc/11/89/16/532118916.db2.gz SCFJLTBBSORLBV-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000124388468 532119608 /nfs/dbraw/zinc/11/96/08/532119608.db2.gz ALRDFWNUNWAHSZ-UHFFFAOYSA-N 1 0 398.301 2.259 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000176041811 532123402 /nfs/dbraw/zinc/12/34/02/532123402.db2.gz UPYYQRKBQNCLMR-ZDUSSCGKSA-N 1 0 398.301 2.387 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000124575422 532124267 /nfs/dbraw/zinc/12/42/67/532124267.db2.gz KATIKKDMUBVFBQ-YPMHNXCESA-N 1 0 382.507 2.484 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176073928 532124599 /nfs/dbraw/zinc/12/45/99/532124599.db2.gz NHTLLHYQKBELMJ-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2csc(S(N)(=O)=O)c2)c1 ZINC000124144327 532115011 /nfs/dbraw/zinc/11/50/11/532115011.db2.gz DBVYRSNETVFMDE-UHFFFAOYSA-N 1 0 381.523 2.167 20 0 GEADRO C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)C(C)(C)C[NH+](C)C ZINC000175807257 532115926 /nfs/dbraw/zinc/11/59/26/532115926.db2.gz CCRPJJBLHXJYCD-NSHDSACASA-N 1 0 395.978 2.115 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000124590647 532125398 /nfs/dbraw/zinc/12/53/98/532125398.db2.gz VPAULCZGLPWMBD-GXFFZTMASA-N 1 0 394.278 2.087 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCC2OCCO2)CC1 ZINC000124799177 532129691 /nfs/dbraw/zinc/12/96/91/532129691.db2.gz QIUOXGVBYVSWGN-UHFFFAOYSA-N 1 0 384.274 2.258 20 0 GEADRO CC[C@@H](C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)[NH+](C)C ZINC000124873157 532130888 /nfs/dbraw/zinc/13/08/88/532130888.db2.gz JLFJUDNOLBPRSA-JSGCOSHPSA-N 1 0 397.317 2.361 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000124837622 532131009 /nfs/dbraw/zinc/13/10/09/532131009.db2.gz WMJZGXSGJDGUSB-CYBMUJFWSA-N 1 0 377.963 2.192 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1cccc(Br)c1 ZINC000176304190 532133553 /nfs/dbraw/zinc/13/35/53/532133553.db2.gz UDSKTZWKYGRJLR-CVEARBPZSA-N 1 0 394.313 2.264 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000176342404 532134266 /nfs/dbraw/zinc/13/42/66/532134266.db2.gz GRQSVECNCFBCLV-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCNC(=O)c1cccs1 ZINC000176408764 532135710 /nfs/dbraw/zinc/13/57/10/532135710.db2.gz PDKGXCSQGPZPCF-UHFFFAOYSA-N 1 0 380.539 2.313 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000176388814 532135737 /nfs/dbraw/zinc/13/57/37/532135737.db2.gz CXUWTLONWKPRGQ-UHFFFAOYSA-N 1 0 396.329 2.321 20 0 GEADRO CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)c1 ZINC000125538575 532136913 /nfs/dbraw/zinc/13/69/13/532136913.db2.gz XHPHEWSUKAAVAU-UHFFFAOYSA-N 1 0 377.447 2.077 20 0 GEADRO CCCCNC(=O)NC(=O)CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000125538841 532136961 /nfs/dbraw/zinc/13/69/61/532136961.db2.gz QQBCZKMFDQKPMM-CQSZACIVSA-N 1 0 386.290 2.040 20 0 GEADRO CN(CC[NH+](C)C)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000176803868 532150618 /nfs/dbraw/zinc/15/06/18/532150618.db2.gz CWBWOZXMTVXXRS-OAQYLSRUSA-N 1 0 375.332 2.357 20 0 GEADRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)sc1Br ZINC000176923556 532155728 /nfs/dbraw/zinc/15/57/28/532155728.db2.gz LVBBKXDJVWEPRP-UHFFFAOYSA-N 1 0 397.360 2.208 20 0 GEADRO CC(C)(C[NH2+]CCC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O ZINC000126921485 532151426 /nfs/dbraw/zinc/15/14/26/532151426.db2.gz VMFCKOACNSSCDO-UHFFFAOYSA-N 1 0 377.304 2.191 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1cc(Br)ccc1OC ZINC000176893606 532154242 /nfs/dbraw/zinc/15/42/42/532154242.db2.gz WCGNEWCHFLGLDW-OAHLLOKOSA-N 1 0 387.318 2.473 20 0 GEADRO CC(C)C[C@@H](CNC(=O)CNC(=O)c1ccc(Br)s1)[NH+](C)C ZINC000125933880 532144003 /nfs/dbraw/zinc/14/40/03/532144003.db2.gz YREQTAKNFBVTQX-NSHDSACASA-N 1 0 390.347 2.333 20 0 GEADRO CS(=O)(=O)NCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000125961935 532144239 /nfs/dbraw/zinc/14/42/39/532144239.db2.gz AADYGMOELCFGPL-UHFFFAOYSA-N 1 0 381.885 2.231 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000128759883 532167907 /nfs/dbraw/zinc/16/79/07/532167907.db2.gz NQYNLUKZYLGDKE-NILFDRSVSA-N 1 0 380.286 2.188 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000128740215 532168050 /nfs/dbraw/zinc/16/80/50/532168050.db2.gz FBWRAFOKARAUQC-CHWSQXEVSA-N 1 0 394.324 2.048 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000128780891 532168863 /nfs/dbraw/zinc/16/88/63/532168863.db2.gz CGFBRYJMGHIXHJ-OAGGEKHMSA-N 1 0 382.302 2.403 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc2cc(Cl)ccc2s1)N1CC[NH+](C)CC1 ZINC000176935213 532156138 /nfs/dbraw/zinc/15/61/38/532156138.db2.gz KWOLIZXQOYFANQ-LBPRGKRZSA-N 1 0 387.958 2.469 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000176946788 532156942 /nfs/dbraw/zinc/15/69/42/532156942.db2.gz RUTXTJDMSAJZRP-KRWDZBQOSA-N 1 0 390.615 2.410 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000177029474 532159201 /nfs/dbraw/zinc/15/92/01/532159201.db2.gz ZGLYMPFITNFMAU-GFCCVEGCSA-N 1 0 398.301 2.243 20 0 GEADRO CN(C)c1nc2sc(C(=O)NCCN3CCC([NH+](C)C)CC3)cc2s1 ZINC000177133527 532162696 /nfs/dbraw/zinc/16/26/96/532162696.db2.gz QTDJYMPDMUSWSM-UHFFFAOYSA-N 1 0 381.571 2.180 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000128467535 532164900 /nfs/dbraw/zinc/16/49/00/532164900.db2.gz WJQKCXNLSDLTAP-UHFFFAOYSA-N 1 0 394.273 2.093 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000128441517 532165016 /nfs/dbraw/zinc/16/50/16/532165016.db2.gz FPSNHIHGEYJGKQ-WDEREUQCSA-N 1 0 398.248 2.380 20 0 GEADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000129469015 532179955 /nfs/dbraw/zinc/17/99/55/532179955.db2.gz VIHJSAODEXVQNO-QXULXFAOSA-N 1 0 379.913 2.254 20 0 GEADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000129600793 532180687 /nfs/dbraw/zinc/18/06/87/532180687.db2.gz MJKVQYRHGRWLBU-QNMSZWNNSA-N 1 0 392.297 2.201 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000177724106 532180704 /nfs/dbraw/zinc/18/07/04/532180704.db2.gz IYDJTNALLUUCKZ-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000129663672 532181685 /nfs/dbraw/zinc/18/16/85/532181685.db2.gz WYBUASSAGNHRGZ-ZDUSSCGKSA-N 1 0 397.317 2.371 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000177771102 532182379 /nfs/dbraw/zinc/18/23/79/532182379.db2.gz FNJOCOWVHGIGDE-OYLFLEFRSA-N 1 0 380.535 2.194 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178118200 532193466 /nfs/dbraw/zinc/19/34/66/532193466.db2.gz SKCGTJZJWBGOSD-GJZGRUSLSA-N 1 0 397.313 2.397 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)Cc1cc(Cl)ccc1F)N1CC[NH+](C)CC1 ZINC000131315115 532195733 /nfs/dbraw/zinc/19/57/33/532195733.db2.gz SAWDRADCGPWFSW-KRWDZBQOSA-N 1 0 391.940 2.171 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000131518245 532199286 /nfs/dbraw/zinc/19/92/86/532199286.db2.gz VBKSJPOYSWVNPI-UHFFFAOYSA-N 1 0 380.543 2.414 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178340198 532199408 /nfs/dbraw/zinc/19/94/08/532199408.db2.gz IDEVMRYKGADOGP-LLVKDONJSA-N 1 0 386.677 2.348 20 0 GEADRO C[NH+]1CCC(CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000129933477 532187137 /nfs/dbraw/zinc/18/71/37/532187137.db2.gz NIJDMVCEVQUZRU-MRXNPFEDSA-N 1 0 394.313 2.260 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OC)cc2I)C1 ZINC000129981588 532187726 /nfs/dbraw/zinc/18/77/26/532187726.db2.gz QKWPMETWCPCXET-NSHDSACASA-N 1 0 388.249 2.371 20 0 GEADRO C[C@@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000177978980 532188478 /nfs/dbraw/zinc/18/84/78/532188478.db2.gz OCCRVGQWXVJDFC-NEPJUHHUSA-N 1 0 385.306 2.390 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc(Cl)cc1Cl ZINC000130068124 532188680 /nfs/dbraw/zinc/18/86/80/532188680.db2.gz XLEQYDGWXCEPCC-CYBMUJFWSA-N 1 0 388.295 2.285 20 0 GEADRO C[C@@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)C[NH+]1CCCCC1 ZINC000177981177 532188704 /nfs/dbraw/zinc/18/87/04/532188704.db2.gz NWJRTCKUGHBALP-LBPRGKRZSA-N 1 0 385.306 2.391 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000178003712 532189823 /nfs/dbraw/zinc/18/98/23/532189823.db2.gz RSHCOCNQFTUFFO-LBPRGKRZSA-N 1 0 375.441 2.488 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1Br ZINC000178019374 532190719 /nfs/dbraw/zinc/19/07/19/532190719.db2.gz CHYHMXMGBFIIJT-DGCLKSJQSA-N 1 0 398.301 2.385 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cs1 ZINC000131887275 532205465 /nfs/dbraw/zinc/20/54/65/532205465.db2.gz MCNYRTYGZKUHHB-UHFFFAOYSA-N 1 0 379.507 2.286 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NCC[C@@H]3CC[NH2+]C3)CC2=O)ccc1Br ZINC000178950716 532218921 /nfs/dbraw/zinc/21/89/21/532218921.db2.gz YBXOCTPFSWUYOU-UONOGXRCSA-N 1 0 394.313 2.226 20 0 GEADRO Nc1ncc(Cl)cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178622257 532207418 /nfs/dbraw/zinc/20/74/18/532207418.db2.gz HRZFZDNHGMAEHH-UHFFFAOYSA-N 1 0 380.901 2.392 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000178659697 532209366 /nfs/dbraw/zinc/20/93/66/532209366.db2.gz KWJDIIOYLRSKBY-ZDUSSCGKSA-N 1 0 387.933 2.372 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000178821866 532214055 /nfs/dbraw/zinc/21/40/55/532214055.db2.gz DNTONNYVVVLWAX-MLGOLLRUSA-N 1 0 394.313 2.388 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C1 ZINC000178822254 532214133 /nfs/dbraw/zinc/21/41/33/532214133.db2.gz OSSHNYDQPUABIX-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO Cc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(Br)n1 ZINC000132358150 532214164 /nfs/dbraw/zinc/21/41/64/532214164.db2.gz SHKVYZIRHXVYAU-OAHLLOKOSA-N 1 0 395.345 2.395 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000178849932 532215059 /nfs/dbraw/zinc/21/50/59/532215059.db2.gz FZQIPPFEAUCTQT-LLVKDONJSA-N 1 0 376.906 2.381 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000178861250 532215121 /nfs/dbraw/zinc/21/51/21/532215121.db2.gz JKSJCTDKWRNTEY-JTQLQIEISA-N 1 0 389.315 2.052 20 0 GEADRO CCCN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CC[NH2+]C1 ZINC000178885832 532215767 /nfs/dbraw/zinc/21/57/67/532215767.db2.gz UUSPUFCZQRTEQV-LBPRGKRZSA-N 1 0 389.315 2.067 20 0 GEADRO COC[C@](C)(CCO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000132575938 532217412 /nfs/dbraw/zinc/21/74/12/532217412.db2.gz LZLLSIHZDYYKRV-DOMZBBRYSA-N 1 0 396.709 2.219 20 0 GEADRO C[C@H]([NH3+])CCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000178914901 532218016 /nfs/dbraw/zinc/21/80/16/532218016.db2.gz ZVDGVCSVCLLFGW-ZETCQYMHSA-N 1 0 375.210 2.484 20 0 GEADRO CCCN(C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000178925286 532218109 /nfs/dbraw/zinc/21/81/09/532218109.db2.gz FGSZPPBDIFUGNJ-GHMZBOCLSA-N 1 0 388.331 2.229 20 0 GEADRO Cn1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc(Br)c1=O ZINC000178964662 532218398 /nfs/dbraw/zinc/21/83/98/532218398.db2.gz IAQGJAYPABDKAW-ZDUSSCGKSA-N 1 0 383.290 2.240 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)cc1Cl ZINC000178948752 532218477 /nfs/dbraw/zinc/21/84/77/532218477.db2.gz SPXXKXOZRUTDKJ-QMMMGPOBSA-N 1 0 383.695 2.094 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000132632707 532218692 /nfs/dbraw/zinc/21/86/92/532218692.db2.gz HNAKOMRJESKIJK-HIFRSBDPSA-N 1 0 394.313 2.169 20 0 GEADRO CS(=O)(=O)NCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178510185 532204035 /nfs/dbraw/zinc/20/40/35/532204035.db2.gz KMQWDSFRENLZDY-ZDUSSCGKSA-N 1 0 377.304 2.192 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178497896 532204547 /nfs/dbraw/zinc/20/45/47/532204547.db2.gz XAJLLTQSAVOZCI-HUUCEWRRSA-N 1 0 396.329 2.430 20 0 GEADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000179291458 532227711 /nfs/dbraw/zinc/22/77/11/532227711.db2.gz QFKZXRCGIVCUEW-SECBINFHSA-N 1 0 383.258 2.300 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000179413939 532230685 /nfs/dbraw/zinc/23/06/85/532230685.db2.gz WHQHJBNOBVILIP-HNNXBMFYSA-N 1 0 394.313 2.388 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179525736 532234641 /nfs/dbraw/zinc/23/46/41/532234641.db2.gz JCKNERBOBFNCFJ-LBPRGKRZSA-N 1 0 389.315 2.019 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178984929 532219464 /nfs/dbraw/zinc/21/94/64/532219464.db2.gz BIUBMLSMRPBFKC-AWEZNQCLSA-N 1 0 386.901 2.376 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000132906828 532223747 /nfs/dbraw/zinc/22/37/47/532223747.db2.gz BTJCEGYHRHVRMV-AWEZNQCLSA-N 1 0 379.551 2.365 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000179202168 532224507 /nfs/dbraw/zinc/22/45/07/532224507.db2.gz PVNIHSJXYUPQFT-ZIAGYGMSSA-N 1 0 396.329 2.415 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc(Br)c[nH]2)CC1 ZINC000133687334 532240847 /nfs/dbraw/zinc/24/08/47/532240847.db2.gz ZDQDXLMQUFOVTC-KBPBESRZSA-N 1 0 383.334 2.408 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133651604 532240915 /nfs/dbraw/zinc/24/09/15/532240915.db2.gz SEKJZUPTSBKKPD-IUODEOHRSA-N 1 0 377.432 2.491 20 0 GEADRO C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)c3cc(F)ccc3Cl)C2)CC1 ZINC000179675749 532240914 /nfs/dbraw/zinc/24/09/14/532240914.db2.gz LGOYSGHCHHQGQK-OAHLLOKOSA-N 1 0 389.924 2.270 20 0 GEADRO C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)c3ccc(Cl)cc3F)C2)CC1 ZINC000179675605 532241330 /nfs/dbraw/zinc/24/13/30/532241330.db2.gz UFNMAFYOLJWEBI-HNNXBMFYSA-N 1 0 389.924 2.270 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000179756666 532243020 /nfs/dbraw/zinc/24/30/20/532243020.db2.gz ZQCUXAWHZQIOPN-MRXNPFEDSA-N 1 0 397.313 2.230 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179793908 532244459 /nfs/dbraw/zinc/24/44/59/532244459.db2.gz FPKXTTFZDVCZQD-LBPRGKRZSA-N 1 0 380.290 2.200 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000179852453 532247949 /nfs/dbraw/zinc/24/79/49/532247949.db2.gz MMJUENZROQNSRJ-VXGBXAGGSA-N 1 0 383.290 2.080 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179872291 532248019 /nfs/dbraw/zinc/24/80/19/532248019.db2.gz UVCHQYVSUXAALX-BXUZGUMPSA-N 1 0 378.274 2.048 20 0 GEADRO C[C@@H](CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000179892465 532248597 /nfs/dbraw/zinc/24/85/97/532248597.db2.gz SSNOCZYOZHNJSW-SUMWQHHRSA-N 1 0 388.339 2.417 20 0 GEADRO CCOC(=O)C1(NC(=O)c2ccc(Br)s2)CC[NH+](C)CC1 ZINC000134320687 532253668 /nfs/dbraw/zinc/25/36/68/532253668.db2.gz ZGWSSTMJKBXHHT-UHFFFAOYSA-N 1 0 375.288 2.268 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccnc1Br ZINC000179571135 532237384 /nfs/dbraw/zinc/23/73/84/532237384.db2.gz KZHJHSPWRQXOGZ-JHJVBQTASA-N 1 0 397.317 2.265 20 0 GEADRO C[N@H+](C[C@@H](O)CN1CCOCC1)[C@@H]1CCCc2ccc(Br)cc21 ZINC000179616678 532237879 /nfs/dbraw/zinc/23/78/79/532237879.db2.gz KWZGWLUMIPPGRF-SJLPKXTDSA-N 1 0 383.330 2.451 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NCC(F)(F)F ZINC000180394568 532270323 /nfs/dbraw/zinc/27/03/23/532270323.db2.gz MTGVMODWPOOCAE-UHFFFAOYSA-N 1 0 384.196 2.270 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NCc1cccnc1 ZINC000180395625 532270787 /nfs/dbraw/zinc/27/07/87/532270787.db2.gz UJTOCDDAQDCCOO-UHFFFAOYSA-N 1 0 393.285 2.303 20 0 GEADRO C[C@@H]1C[C@H]1[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000180026217 532254573 /nfs/dbraw/zinc/25/45/73/532254573.db2.gz OHNADICJEDXYRS-CSMYWGQOSA-N 1 0 382.917 2.339 20 0 GEADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000180074571 532256434 /nfs/dbraw/zinc/25/64/34/532256434.db2.gz CPUGSYFKUHFKOA-MRXNPFEDSA-N 1 0 388.295 2.405 20 0 GEADRO CCN(CCS(C)(=O)=O)Cc1cc(Br)c2c(c1)OCCO2 ZINC000180088373 532257058 /nfs/dbraw/zinc/25/70/58/532257058.db2.gz QEDLVSRKVYUTER-UHFFFAOYSA-N 1 0 378.288 2.087 20 0 GEADRO Cc1nc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000180084340 532257172 /nfs/dbraw/zinc/25/71/72/532257172.db2.gz SNYMNEVYSPWLLO-SCZZXKLOSA-N 1 0 382.349 2.317 20 0 GEADRO Cc1nc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)sc1Br ZINC000180084081 532257313 /nfs/dbraw/zinc/25/73/13/532257313.db2.gz CBXJAXLYNXWAJF-WPRPVWTQSA-N 1 0 382.349 2.175 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)CCc2cc(Br)ccc2F)CC1 ZINC000134598790 532258768 /nfs/dbraw/zinc/25/87/68/532258768.db2.gz ARBVZASDEKOSSB-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)nc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180198509 532260578 /nfs/dbraw/zinc/26/05/78/532260578.db2.gz NDFAGYGQHZWRCB-UHFFFAOYSA-N 1 0 380.901 2.466 20 0 GEADRO CC(C)[N@H+](C)CC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000134643801 532260639 /nfs/dbraw/zinc/26/06/39/532260639.db2.gz DQRBHULCSOAPRR-UHFFFAOYSA-N 1 0 384.318 2.242 20 0 GEADRO CCN(C1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1)S(C)(=O)=O ZINC000180186388 532260771 /nfs/dbraw/zinc/26/07/71/532260771.db2.gz RMFAVFYOZLMJNT-UHFFFAOYSA-N 1 0 382.555 2.395 20 0 GEADRO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000180192785 532261052 /nfs/dbraw/zinc/26/10/52/532261052.db2.gz XOTJRGOXHYPSDF-BDJLRTHQSA-N 1 0 399.310 2.481 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCCOc2cc(Br)ccc21)c1ccn[nH]1 ZINC000180210950 532262064 /nfs/dbraw/zinc/26/20/64/532262064.db2.gz UWMUMUOPGPZFPW-ZDUSSCGKSA-N 1 0 379.258 2.406 20 0 GEADRO CC1CC[NH+](CC(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000134808676 532263547 /nfs/dbraw/zinc/26/35/47/532263547.db2.gz ZVISETIWDILFKJ-UHFFFAOYSA-N 1 0 382.302 2.027 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccncc1I ZINC000135263554 532268634 /nfs/dbraw/zinc/26/86/34/532268634.db2.gz FLLULPHOPGWCHW-VXGBXAGGSA-N 1 0 385.249 2.385 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(Br)c(O)c2)ccn1 ZINC000135211642 532269082 /nfs/dbraw/zinc/26/90/82/532269082.db2.gz ANOFLCKCEJRPST-UHFFFAOYSA-N 1 0 394.269 2.420 20 0 GEADRO C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000180626631 532276750 /nfs/dbraw/zinc/27/67/50/532276750.db2.gz HDJDKVVBMGRQMS-UHFFFAOYSA-N 1 0 382.917 2.382 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccnc(SCC(F)(F)F)c1 ZINC000136143641 532282667 /nfs/dbraw/zinc/28/26/67/532282667.db2.gz HBLDYGYFTLVIJN-UHFFFAOYSA-N 1 0 377.432 2.313 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)CS(C)(=O)=O ZINC000180819438 532282998 /nfs/dbraw/zinc/28/29/98/532282998.db2.gz CBXSTJNSTJFKKJ-GHMZBOCLSA-N 1 0 377.304 2.189 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000181126173 532291637 /nfs/dbraw/zinc/29/16/37/532291637.db2.gz HGNTULHCVSOAJU-ZDUSSCGKSA-N 1 0 383.286 2.465 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000139146155 532293235 /nfs/dbraw/zinc/29/32/35/532293235.db2.gz CSGBLICLXHEIJB-AWEZNQCLSA-N 1 0 383.290 2.171 20 0 GEADRO COCC[NH+]1CCC(NC(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000141600894 532295073 /nfs/dbraw/zinc/29/50/73/532295073.db2.gz XEOZECBMMVQREE-UHFFFAOYSA-N 1 0 377.432 2.420 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000142019163 532295241 /nfs/dbraw/zinc/29/52/41/532295241.db2.gz FFSUQRZKDDYGFC-HNNXBMFYSA-N 1 0 389.587 2.241 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)c(Br)n1 ZINC000181373177 532296382 /nfs/dbraw/zinc/29/63/82/532296382.db2.gz BXCNRLCQHMKUDY-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000181386111 532297051 /nfs/dbraw/zinc/29/70/51/532297051.db2.gz ZTJHTLCYKBXQLT-UHFFFAOYSA-N 1 0 388.917 2.479 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000181382732 532297087 /nfs/dbraw/zinc/29/70/87/532297087.db2.gz MPEFJLZHYBPAQH-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000181582240 532302115 /nfs/dbraw/zinc/30/21/15/532302115.db2.gz JHBOSKHJYXXSQC-SNVBAGLBSA-N 1 0 376.404 2.198 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000150879478 532303391 /nfs/dbraw/zinc/30/33/91/532303391.db2.gz PSSQDSVRPRXKOE-OCCSQVGLSA-N 1 0 390.933 2.299 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000150876531 532303655 /nfs/dbraw/zinc/30/36/55/532303655.db2.gz MDFLYKUEGAWGCO-CYBMUJFWSA-N 1 0 379.320 2.084 20 0 GEADRO Cc1c(C(=O)NCc2ccc(Br)cc2)nnn1C1CC[NH2+]CC1 ZINC000150889018 532303708 /nfs/dbraw/zinc/30/37/08/532303708.db2.gz WLMDJQQYIOZKIQ-UHFFFAOYSA-N 1 0 378.274 2.204 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1Br ZINC000181675604 532304362 /nfs/dbraw/zinc/30/43/62/532304362.db2.gz YZGZGHGSXYWXHG-NEPJUHHUSA-N 1 0 391.331 2.390 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1cccs1 ZINC000151033128 532306376 /nfs/dbraw/zinc/30/63/76/532306376.db2.gz NDWDPRLWGKPPPH-NSHDSACASA-N 1 0 397.298 2.263 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000151206168 532308003 /nfs/dbraw/zinc/30/80/03/532308003.db2.gz NFZLCRVBTOJPSX-WDEREUQCSA-N 1 0 388.331 2.182 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Br)c[nH]1 ZINC000183401639 532324587 /nfs/dbraw/zinc/32/45/87/532324587.db2.gz STGLRXKPRQTVPT-OAHLLOKOSA-N 1 0 378.270 2.274 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183423782 532324749 /nfs/dbraw/zinc/32/47/49/532324749.db2.gz CJZVLGBGZDFSGS-UHFFFAOYSA-N 1 0 398.301 2.440 20 0 GEADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183406874 532324900 /nfs/dbraw/zinc/32/49/00/532324900.db2.gz GUHRNADCLCVCEM-NSHDSACASA-N 1 0 396.285 2.336 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000183514397 532325751 /nfs/dbraw/zinc/32/57/51/532325751.db2.gz PYAUERFQIJVYHP-SNVBAGLBSA-N 1 0 375.803 2.290 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CCCO1 ZINC000182335310 532311862 /nfs/dbraw/zinc/31/18/62/532311862.db2.gz BMBURUOWEXIEIM-HIFRSBDPSA-N 1 0 398.301 2.051 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1cccc(Br)c1 ZINC000182574686 532315057 /nfs/dbraw/zinc/31/50/57/532315057.db2.gz GVQOSOUNMIULGX-CYBMUJFWSA-N 1 0 394.313 2.181 20 0 GEADRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000182624505 532315676 /nfs/dbraw/zinc/31/56/76/532315676.db2.gz NWIAYLCVNXWPRA-CHWSQXEVSA-N 1 0 375.332 2.298 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000182658369 532315932 /nfs/dbraw/zinc/31/59/32/532315932.db2.gz QGVPTPCKYOTCHG-UHFFFAOYSA-N 1 0 382.507 2.220 20 0 GEADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC[N@@H+]1C ZINC000182961944 532319737 /nfs/dbraw/zinc/31/97/37/532319737.db2.gz ZKKVECNAGRPQAG-RYUDHWBXSA-N 1 0 381.420 2.126 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000183010183 532320832 /nfs/dbraw/zinc/32/08/32/532320832.db2.gz GSNHIRALAXDROP-IUODEOHRSA-N 1 0 381.523 2.314 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183029748 532321002 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0 GEADRO Cc1ccc(CCC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000185337850 532337591 /nfs/dbraw/zinc/33/75/91/532337591.db2.gz QHYXKKHCKIGLCM-HNNXBMFYSA-N 1 0 382.346 2.442 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000185349358 532337649 /nfs/dbraw/zinc/33/76/49/532337649.db2.gz IDLRPXNWRFBUPI-GFCCVEGCSA-N 1 0 380.341 2.298 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000185412811 532337818 /nfs/dbraw/zinc/33/78/18/532337818.db2.gz WKPQYLXRTSBFIG-MRXNPFEDSA-N 1 0 394.313 2.321 20 0 GEADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000185574815 532337992 /nfs/dbraw/zinc/33/79/92/532337992.db2.gz PQKJNRAWGAWYMN-UHFFFAOYSA-N 1 0 382.452 2.188 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000185796380 532338685 /nfs/dbraw/zinc/33/86/85/532338685.db2.gz QYGWOZXRIVQXHX-LLVKDONJSA-N 1 0 377.304 2.030 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NCCC(=O)OC ZINC000185925364 532339057 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C[NH+](C)CCN1C[C@H](C(=O)Nc2cc(Br)c(F)cc2F)CC1=O ZINC000190241981 532355360 /nfs/dbraw/zinc/35/53/60/532355360.db2.gz LRXBBRSDZQZPIV-SECBINFHSA-N 1 0 390.228 2.076 20 0 GEADRO C[C@H]([C@H](C)NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)N1CCOCC1 ZINC000190455225 532356124 /nfs/dbraw/zinc/35/61/24/532356124.db2.gz LEOGAJOOPUWANB-VHSXEESVSA-N 1 0 392.258 2.296 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190496872 532356331 /nfs/dbraw/zinc/35/63/31/532356331.db2.gz SSMJXGJVXUEYQB-NSHDSACASA-N 1 0 392.258 2.298 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000190487404 532356393 /nfs/dbraw/zinc/35/63/93/532356393.db2.gz YDQVZQFCWOZFEI-CQSZACIVSA-N 1 0 389.327 2.450 20 0 GEADRO COC[C@H](O)C[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190512429 532356452 /nfs/dbraw/zinc/35/64/52/532356452.db2.gz BCMKZEOBAQCLBG-HUUCEWRRSA-N 1 0 388.302 2.446 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000190661689 532357320 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C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)C1 ZINC000647266301 532372973 /nfs/dbraw/zinc/37/29/73/532372973.db2.gz LVYIFVHKCKBWID-WDEREUQCSA-N 1 0 386.315 2.299 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(F)cc1Br ZINC000647264500 532373122 /nfs/dbraw/zinc/37/31/22/532373122.db2.gz DWAQCMDVUWSCEI-MFKMUULPSA-N 1 0 377.279 2.269 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000515827228 532373117 /nfs/dbraw/zinc/37/31/17/532373117.db2.gz WBJLLFHPVCFRCZ-UHFFFAOYSA-N 1 0 391.331 2.069 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2OC)CC[C@H]1[NH3+] ZINC000647268876 532373216 /nfs/dbraw/zinc/37/32/16/532373216.db2.gz JDQOSLOLELBCCT-BXKDBHETSA-N 1 0 395.294 2.345 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[C@H]1[NH3+] ZINC000647269061 532373593 /nfs/dbraw/zinc/37/35/93/532373593.db2.gz LLNJJXAXDLPELZ-SMDDNHRTSA-N 1 0 390.347 2.263 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC[C@@H]1[NH3+] ZINC000647269129 532373734 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CCCN(C(=O)C(=O)N(C)Cc1cccc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000647568434 532376151 /nfs/dbraw/zinc/37/61/51/532376151.db2.gz MKFLPGZUDAXLSQ-MRXNPFEDSA-N 1 0 396.329 2.350 20 0 GEADRO [NH3+]Cc1cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)ccn1 ZINC000463483491 532376427 /nfs/dbraw/zinc/37/64/27/532376427.db2.gz HGVJSYQFACKLOH-UHFFFAOYSA-N 1 0 395.326 2.322 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000647568326 532376419 /nfs/dbraw/zinc/37/64/19/532376419.db2.gz KQGXWNGDTUMQTF-MRXNPFEDSA-N 1 0 396.329 2.350 20 0 GEADRO Cn1ncc(Br)c1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000622061526 532377019 /nfs/dbraw/zinc/37/70/19/532377019.db2.gz LEVKRTYPLAGDEZ-CYBMUJFWSA-N 1 0 379.258 2.002 20 0 GEADRO COc1cc(C(=O)NCCCN2CCC[N@H+](C)CC2)sc1Br ZINC000677552478 532377591 /nfs/dbraw/zinc/37/75/91/532377591.db2.gz URZGBOKCWYETDV-UHFFFAOYSA-N 1 0 390.347 2.277 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000294753907 532378273 /nfs/dbraw/zinc/37/82/73/532378273.db2.gz PLCJDHGMWLGYDI-UHFFFAOYSA-N 1 0 375.238 2.134 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)CCN1CCOC[C@@H]1C ZINC000191419787 532360927 /nfs/dbraw/zinc/36/09/27/532360927.db2.gz RJMUOPAYWPFJPO-AWEZNQCLSA-N 1 0 384.318 2.349 20 0 GEADRO COCCN(CCC(=O)N1CCOCC1)Cc1sccc1Br ZINC000191432036 532360933 /nfs/dbraw/zinc/36/09/33/532360933.db2.gz SXCSSLNAZXBAQA-UHFFFAOYSA-N 1 0 391.331 2.208 20 0 GEADRO C[C@@H]1CN(CCN(CCO)Cc2cc(Br)ccc2F)CCO1 ZINC000191478200 532361075 /nfs/dbraw/zinc/36/10/75/532361075.db2.gz JMYYXQZXYBURFP-CYBMUJFWSA-N 1 0 375.282 2.103 20 0 GEADRO COCC[NH+](CCOC)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191608671 532361652 /nfs/dbraw/zinc/36/16/52/532361652.db2.gz GTJBVRRIBPEWPY-UHFFFAOYSA-N 1 0 387.318 2.381 20 0 GEADRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696431 532362193 /nfs/dbraw/zinc/36/21/93/532362193.db2.gz SGYIEDHQTRZVAV-CQSZACIVSA-N 1 0 396.329 2.373 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277765661 532362562 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GEADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc(Br)c[nH]c1=O ZINC000621653060 532364760 /nfs/dbraw/zinc/36/47/60/532364760.db2.gz OJHYGJJCYFBESJ-UHFFFAOYSA-N 1 0 391.269 2.339 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000463061662 532364897 /nfs/dbraw/zinc/36/48/97/532364897.db2.gz QRXWLFZDCZGPFH-GWCFXTLKSA-N 1 0 379.258 2.427 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621672119 532364911 /nfs/dbraw/zinc/36/49/11/532364911.db2.gz SZCXFXDCLLNGPL-ZDUSSCGKSA-N 1 0 377.229 2.426 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000621718164 532365713 /nfs/dbraw/zinc/36/57/13/532365713.db2.gz AIRYSYRSSHUSQM-AWEZNQCLSA-N 1 0 384.929 2.494 20 0 GEADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000463077934 532366617 /nfs/dbraw/zinc/36/66/17/532366617.db2.gz MMMDPCSVJJVRMM-UHFFFAOYSA-N 1 0 375.485 2.192 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2ccc(Br)c(F)c2)C1=O ZINC000372007298 532367071 /nfs/dbraw/zinc/36/70/71/532367071.db2.gz UBZPBXQPUXIKBK-BZNIZROVSA-N 1 0 384.249 2.398 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C[C@H]1C ZINC000677183956 532367134 /nfs/dbraw/zinc/36/71/34/532367134.db2.gz VNOJXZCCJHCODC-ZIAGYGMSSA-N 1 0 394.313 2.355 20 0 GEADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCCN(c2nccs2)CC1 ZINC000557569444 532368120 /nfs/dbraw/zinc/36/81/20/532368120.db2.gz FMDMCWSQCWGRSK-INIZCTEOSA-N 1 0 380.583 2.399 20 0 GEADRO CCC[N@H+](C)CC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000463181606 532368917 /nfs/dbraw/zinc/36/89/17/532368917.db2.gz CHOFSWSGDNXHSO-OAHLLOKOSA-N 1 0 382.302 2.321 20 0 GEADRO O=C1c2ccc(Br)cc2C(=O)N1CCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647154924 532369594 /nfs/dbraw/zinc/36/95/94/532369594.db2.gz NOARHSFMEKCFNN-LBPRGKRZSA-N 1 0 391.225 2.095 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000463234450 532370225 /nfs/dbraw/zinc/37/02/25/532370225.db2.gz JHYWXPCGTKQABF-PRHODGIISA-N 1 0 394.107 2.281 20 0 GEADRO O=c1c2cc(Br)ccc2ncn1CCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000647154075 532370535 /nfs/dbraw/zinc/37/05/35/532370535.db2.gz SXISNTALCCCGFY-CYBMUJFWSA-N 1 0 390.241 2.209 20 0 GEADRO O=S(=O)(c1ccc(Cc2nc([C@@H]3CCC[NH2+]3)no2)s1)N1CCCCC1 ZINC000647156430 532370595 /nfs/dbraw/zinc/37/05/95/532370595.db2.gz ZSNOLQVJETWQIM-ZDUSSCGKSA-N 1 0 382.511 2.321 20 0 GEADRO O=C1COc2cc(Br)ccc2N1Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647151554 532370787 /nfs/dbraw/zinc/37/07/87/532370787.db2.gz JFIAPQDWUMBJEA-JTQLQIEISA-N 1 0 379.214 2.182 20 0 GEADRO O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000294603009 532370893 /nfs/dbraw/zinc/37/08/93/532370893.db2.gz ZKKIHWOCBCHKDH-QGZVFWFLSA-N 1 0 386.323 2.267 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000557743593 532371086 /nfs/dbraw/zinc/37/10/86/532371086.db2.gz VDHCIVQAIRDAFQ-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000463252212 532371111 /nfs/dbraw/zinc/37/11/11/532371111.db2.gz IYZHXRRVLMCMSL-UHFFFAOYSA-N 1 0 386.237 2.239 20 0 GEADRO Cc1cc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)nn1-c1ccc(Cl)cc1Cl ZINC000515712215 532371237 /nfs/dbraw/zinc/37/12/37/532371237.db2.gz QHXDKIFVPBXWOP-HOTGVXAUSA-N 1 0 383.279 2.234 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000647238120 532371594 /nfs/dbraw/zinc/37/15/94/532371594.db2.gz FLKAQEPWSQZVLO-XJKSGUPXSA-N 1 0 385.917 2.451 20 0 GEADRO O=C(c1cc(Br)c[nH]c1=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000621895025 532371736 /nfs/dbraw/zinc/37/17/36/532371736.db2.gz HHCZOVZOQWZREY-UHFFFAOYSA-N 1 0 398.301 2.267 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)C[NH+]1CCCCC1 ZINC000463665168 532378840 /nfs/dbraw/zinc/37/88/40/532378840.db2.gz OLWUGRZPZPESCJ-JTQLQIEISA-N 1 0 378.420 2.339 20 0 GEADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000677694749 532380301 /nfs/dbraw/zinc/38/03/01/532380301.db2.gz LTZIQKZADBBISK-CYBMUJFWSA-N 1 0 385.917 2.210 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000278503928 532381987 /nfs/dbraw/zinc/38/19/87/532381987.db2.gz NZDGBURDXICYPB-UHFFFAOYSA-N 1 0 379.184 2.193 20 0 GEADRO C[N@H+](CC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[C@H]1CCSC1 ZINC000558035893 532382207 /nfs/dbraw/zinc/38/22/07/532382207.db2.gz MWYNEMNSEMREEY-SMDDNHRTSA-N 1 0 391.306 2.175 20 0 GEADRO COCCOC1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CCOCC1 ZINC000294780541 532382785 /nfs/dbraw/zinc/38/27/85/532382785.db2.gz KZXGKYAJFZWJGE-UHFFFAOYSA-N 1 0 398.301 2.399 20 0 GEADRO OC[C@H]1CCN(Cc2ccc(Br)cc2C[N@@H+]2CC[C@H](CO)C2)C1 ZINC000192073569 532383592 /nfs/dbraw/zinc/38/35/92/532383592.db2.gz DOQBPIVSRVENTG-GJZGRUSLSA-N 1 0 383.330 2.078 20 0 GEADRO CO[C@H](C[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1)C1CC1 ZINC000425403885 532384895 /nfs/dbraw/zinc/38/48/95/532384895.db2.gz KMNPMHSIBRQLNH-QGZVFWFLSA-N 1 0 397.313 2.397 20 0 GEADRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3c(Br)cnn3C)C2)ncn1 ZINC000278541763 532385685 /nfs/dbraw/zinc/38/56/85/532385685.db2.gz 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ZINC000427282316 532419253 /nfs/dbraw/zinc/41/92/53/532419253.db2.gz SRIQWQJTTKEBCQ-PWSUYJOCSA-N 1 0 376.810 2.448 20 0 GEADRO C[C@H](CNS(=O)(=O)Cc1ccc(Br)c(F)c1)[NH+]1CCCC1 ZINC000649634910 532419667 /nfs/dbraw/zinc/41/96/67/532419667.db2.gz CJENJOGTDLLWBL-LLVKDONJSA-N 1 0 379.295 2.492 20 0 GEADRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280952627 532419742 /nfs/dbraw/zinc/41/97/42/532419742.db2.gz UCSNFIRVIRMLKA-RISCZKNCSA-N 1 0 375.922 2.156 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc1 ZINC000560558060 532419971 /nfs/dbraw/zinc/41/99/71/532419971.db2.gz MKUCSCCCKHQWEN-BSEYFRJRSA-N 1 0 380.535 2.324 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000560546531 532420099 /nfs/dbraw/zinc/42/00/99/532420099.db2.gz VFVFJOBGPHKTOM-HUUCEWRRSA-N 1 0 379.400 2.440 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000465784602 532420252 /nfs/dbraw/zinc/42/02/52/532420252.db2.gz 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ZINC000466238725 532423864 /nfs/dbraw/zinc/42/38/64/532423864.db2.gz RQKPTWTZSRDRPT-UHFFFAOYSA-N 1 0 389.327 2.403 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C1 ZINC000193387284 532424665 /nfs/dbraw/zinc/42/46/65/532424665.db2.gz MZJLDHXWNAOGLE-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1F ZINC000681252838 532424979 /nfs/dbraw/zinc/42/49/79/532424979.db2.gz UJTPQESRNPLNCW-LBPRGKRZSA-N 1 0 377.279 2.351 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1F ZINC000681252836 532425535 /nfs/dbraw/zinc/42/55/35/532425535.db2.gz UJTPQESRNPLNCW-GFCCVEGCSA-N 1 0 377.279 2.351 20 0 GEADRO [NH3+]Cc1cc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)co1 ZINC000517747001 532425629 /nfs/dbraw/zinc/42/56/29/532425629.db2.gz JVXYUBRUTWSRJW-UHFFFAOYSA-N 1 0 378.270 2.459 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)n1 ZINC000193534300 532426381 /nfs/dbraw/zinc/42/63/81/532426381.db2.gz KZZURBOZAHLAIJ-CQSZACIVSA-N 1 0 379.258 2.149 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193630549 532427952 /nfs/dbraw/zinc/42/79/52/532427952.db2.gz WHOHRNZPUWYQQC-BMFZPTHFSA-N 1 0 380.330 2.289 20 0 GEADRO COc1nccc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)n1 ZINC000295261765 532428167 /nfs/dbraw/zinc/42/81/67/532428167.db2.gz VCEIPYJCWCVLJR-UHFFFAOYSA-N 1 0 393.285 2.386 20 0 GEADRO COCC[NH+](CCOC)C1CCN(Cc2ccncc2Br)CC1 ZINC000625425303 532427565 /nfs/dbraw/zinc/42/75/65/532427565.db2.gz FENSVFVSZBYYKM-UHFFFAOYSA-N 1 0 386.334 2.403 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1cccc(Br)c1 ZINC000373074008 532429568 /nfs/dbraw/zinc/42/95/68/532429568.db2.gz ISRGYPOYQRZBQJ-GVDBMIGSSA-N 1 0 396.329 2.209 20 0 GEADRO C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696026 532429834 /nfs/dbraw/zinc/42/98/34/532429834.db2.gz OKFXMRMZGNQDBR-RYUDHWBXSA-N 1 0 387.297 2.221 20 0 GEADRO O=C(NCc1csc(Br)c1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000517895529 532430062 /nfs/dbraw/zinc/43/00/62/532430062.db2.gz UQTPIEJHYJRWSX-UHFFFAOYSA-N 1 0 397.302 2.032 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CSCc1ccc(Cl)cc1 ZINC000193683273 532430223 /nfs/dbraw/zinc/43/02/23/532430223.db2.gz USKKBEYGEDOZAS-INIZCTEOSA-N 1 0 383.945 2.419 20 0 GEADRO CCOC(=O)[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000591953018 532430306 /nfs/dbraw/zinc/43/03/06/532430306.db2.gz OQIIWLLBGQRNLH-SJCJKPOMSA-N 1 0 383.286 2.425 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1cccc(Br)c1 ZINC000193693732 532430484 /nfs/dbraw/zinc/43/04/84/532430484.db2.gz AUQYKJRIOYKFDY-INIZCTEOSA-N 1 0 396.329 2.228 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427689808 532430578 /nfs/dbraw/zinc/43/05/78/532430578.db2.gz QOEWAMYOLZGIBY-DOMZBBRYSA-N 1 0 377.432 2.491 20 0 GEADRO CC(C)n1cc(Br)cc1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193703083 532430719 /nfs/dbraw/zinc/43/07/19/532430719.db2.gz HQRIUIOCDICIGX-AWEZNQCLSA-N 1 0 399.333 2.291 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193692808 532430831 /nfs/dbraw/zinc/43/08/31/532430831.db2.gz HJPDPKSITYFKMQ-CQSZACIVSA-N 1 0 382.302 2.217 20 0 GEADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ncccc1Br ZINC000193701972 532430918 /nfs/dbraw/zinc/43/09/18/532430918.db2.gz ULCIJTHVUHTPSH-CABCVRRESA-N 1 0 390.281 2.209 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000466662001 532431036 /nfs/dbraw/zinc/43/10/36/532431036.db2.gz WAXCMCLIJOCSJE-UHFFFAOYSA-N 1 0 386.283 2.160 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cnc1Cl ZINC000295297952 532431285 /nfs/dbraw/zinc/43/12/85/532431285.db2.gz AUUIIERNMALVEC-NSHDSACASA-N 1 0 376.682 2.074 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000427807855 532431606 /nfs/dbraw/zinc/43/16/06/532431606.db2.gz VTTQPBSQORDQPF-OAHLLOKOSA-N 1 0 386.721 2.451 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2nnnn2-c2ccccc2Br)C1 ZINC000518088040 532435881 /nfs/dbraw/zinc/43/58/81/532435881.db2.gz DEAGETVTOOPWQG-ZDUSSCGKSA-N 1 0 379.306 2.339 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCCN(Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000626167106 532436383 /nfs/dbraw/zinc/43/63/83/532436383.db2.gz OBKWEMQULSVPBT-AWEZNQCLSA-N 1 0 382.917 2.287 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ncc1Br ZINC000373162867 532436574 /nfs/dbraw/zinc/43/65/74/532436574.db2.gz IIQGCVBUFGVVFP-LBPRGKRZSA-N 1 0 395.301 2.224 20 0 GEADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2cncc(Br)c2)cc1 ZINC000466727493 532432720 /nfs/dbraw/zinc/43/27/20/532432720.db2.gz OUISEGGTHNZRGF-UHFFFAOYSA-N 1 0 398.326 2.427 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000281785492 532432996 /nfs/dbraw/zinc/43/29/96/532432996.db2.gz ZQHDXPOMVKOVKY-MRVPVSSYSA-N 1 0 392.656 2.248 20 0 GEADRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)C[C@@H](O)c1ccccc1Br ZINC000295320231 532433385 /nfs/dbraw/zinc/43/33/85/532433385.db2.gz LZURAPUVMRUWHI-CQSZACIVSA-N 1 0 398.301 2.135 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000561243378 532433387 /nfs/dbraw/zinc/43/33/87/532433387.db2.gz BPGJKMXAUYOAFN-HIFRSBDPSA-N 1 0 396.329 2.084 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1c(F)cc(Br)cc1F ZINC000295328050 532433869 /nfs/dbraw/zinc/43/38/69/532433869.db2.gz CXDXJHPHWHKPSE-NSHDSACASA-N 1 0 377.229 2.304 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000681621342 532434125 /nfs/dbraw/zinc/43/41/25/532434125.db2.gz CBYHPIVNSLEILW-AWEZNQCLSA-N 1 0 380.286 2.297 20 0 GEADRO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000626117884 532434517 /nfs/dbraw/zinc/43/45/17/532434517.db2.gz SNBIWYPWYBINMB-HUUCEWRRSA-N 1 0 399.329 2.379 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428029742 532441270 /nfs/dbraw/zinc/44/12/70/532441270.db2.gz BDTRBVQYUDGCDS-TYNCELHUSA-N 1 0 399.276 2.302 20 0 GEADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)cs2)cc1 ZINC000428039404 532441379 /nfs/dbraw/zinc/44/13/79/532441379.db2.gz DMLQEIKZCVPHJR-PBHICJAKSA-N 1 0 377.535 2.397 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])c(OC)cc1Br ZINC000427926890 532437553 /nfs/dbraw/zinc/43/75/53/532437553.db2.gz UHCDEEMNHYTTAL-SNVBAGLBSA-N 1 0 395.319 2.262 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000561427615 532437610 /nfs/dbraw/zinc/43/76/10/532437610.db2.gz YPKPCIUDTCLLQX-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000467080322 532437853 /nfs/dbraw/zinc/43/78/53/532437853.db2.gz FGLAGRGXYAUQFV-OTYXRUKQSA-N 1 0 384.249 2.126 20 0 GEADRO Cc1ccc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c(Br)n1 ZINC000373285361 532440229 /nfs/dbraw/zinc/44/02/29/532440229.db2.gz OJPDKZAWVFYREI-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GEADRO C[N@H+](CCNC(=O)N1CCC(Cn2cc(Br)cn2)CC1)C1CC1 ZINC000373288491 532440436 /nfs/dbraw/zinc/44/04/36/532440436.db2.gz YWSXYRDWJFIINE-UHFFFAOYSA-N 1 0 384.322 2.161 20 0 GEADRO O=C(NCCCc1cccc(Br)c1)NCC[N@@H+]1CCCOCC1 ZINC000682118581 532440496 /nfs/dbraw/zinc/44/04/96/532440496.db2.gz XZYVPYCVVRKWAF-UHFFFAOYSA-N 1 0 384.318 2.403 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000626836628 532442270 /nfs/dbraw/zinc/44/22/70/532442270.db2.gz NNXXKTMAORUMQG-QGZVFWFLSA-N 1 0 392.297 2.025 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000467232743 532442374 /nfs/dbraw/zinc/44/23/74/532442374.db2.gz YNNUFZWPJUJMHN-QMMMGPOBSA-N 1 0 388.212 2.019 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000626835907 532442650 /nfs/dbraw/zinc/44/26/50/532442650.db2.gz LIMHICWUMKIPML-OLZOCXBDSA-N 1 0 392.297 2.213 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1Br ZINC000626836872 532442666 /nfs/dbraw/zinc/44/26/66/532442666.db2.gz UZONTUGRZPLPDU-OAHLLOKOSA-N 1 0 386.315 2.307 20 0 GEADRO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@H](O)COCC(F)(F)F ZINC000295387721 532442874 /nfs/dbraw/zinc/44/28/74/532442874.db2.gz RFJNSQHDEYDBNE-GWCFXTLKSA-N 1 0 386.208 2.354 20 0 GEADRO C[NH+](C)CC(C)(C)CNc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000428111059 532443815 /nfs/dbraw/zinc/44/38/15/532443815.db2.gz KQHOHYWLQBYOMD-UHFFFAOYSA-N 1 0 382.299 2.235 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)c1F ZINC000626847179 532444012 /nfs/dbraw/zinc/44/40/12/532444012.db2.gz MFSDZVRKMMPGCP-ZDUSSCGKSA-N 1 0 386.265 2.292 20 0 GEADRO COc1ccc([C@H](C)NC(=O)NCC2([NH3+])CCOCC2)cc1Br ZINC000626924978 532444984 /nfs/dbraw/zinc/44/49/84/532444984.db2.gz FAUJYXGVHAHOOK-NSHDSACASA-N 1 0 386.290 2.326 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cn1 ZINC000373387677 532445092 /nfs/dbraw/zinc/44/50/92/532445092.db2.gz WNLYQXIRRZYNCP-YUTCNCBUSA-N 1 0 383.290 2.068 20 0 GEADRO CN(CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)CC(F)(F)F ZINC000626939286 532445494 /nfs/dbraw/zinc/44/54/94/532445494.db2.gz XZWBSNVTQJZKLM-WDEREUQCSA-N 1 0 378.361 2.039 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCC1 ZINC000682169011 532441615 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Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)sc1Br ZINC000650615881 532449247 /nfs/dbraw/zinc/44/92/47/532449247.db2.gz JPDZWYVKVZCCSB-LBPRGKRZSA-N 1 0 388.331 2.474 20 0 GEADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627272749 532448709 /nfs/dbraw/zinc/44/87/09/532448709.db2.gz UAYYSYOYQDKGMJ-FGYYNUPOSA-N 1 0 391.309 2.002 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1Br ZINC000467503786 532448862 /nfs/dbraw/zinc/44/88/62/532448862.db2.gz IUQLGEFSZNPKMF-RNCFNFMXSA-N 1 0 377.279 2.349 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627271013 532448924 /nfs/dbraw/zinc/44/89/24/532448924.db2.gz PPQLFMNMWXODMC-STQMWFEESA-N 1 0 383.286 2.047 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2cccc(Cl)c2)c1 ZINC000592290998 532446112 /nfs/dbraw/zinc/44/61/12/532446112.db2.gz KLFJYHIDZABWMQ-GFCCVEGCSA-N 1 0 381.885 2.365 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[NH2+]CC3(C)C)ccc2s1 ZINC000592372082 532451915 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CC[C@H]1CN(C(=O)COc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000592332050 532450893 /nfs/dbraw/zinc/45/08/93/532450893.db2.gz SWRRNRJAQOBOPY-SMDDNHRTSA-N 1 0 388.249 2.256 20 0 GEADRO NC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000428538890 532454365 /nfs/dbraw/zinc/45/43/65/532454365.db2.gz RITQZXXEMVLGGQ-HNNXBMFYSA-N 1 0 377.282 2.489 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cn1 ZINC000428541894 532454451 /nfs/dbraw/zinc/45/44/51/532454451.db2.gz FICUAWDVUJLGAK-AWEZNQCLSA-N 1 0 379.302 2.246 20 0 GEADRO C[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1cc(Cl)ccc1Cl ZINC000650787243 532455060 /nfs/dbraw/zinc/45/50/60/532455060.db2.gz LSRKELIJEWELDF-GFCCVEGCSA-N 1 0 387.311 2.470 20 0 GEADRO CC[NH+](CC)CCNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000194776607 532455418 /nfs/dbraw/zinc/45/54/18/532455418.db2.gz YZPDVEHUTNRRLC-UHFFFAOYSA-N 1 0 390.297 2.434 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000194764315 532455445 /nfs/dbraw/zinc/45/54/45/532455445.db2.gz 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C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000468425155 532464139 /nfs/dbraw/zinc/46/41/39/532464139.db2.gz DTAPTNXUDQZDLT-CQSZACIVSA-N 1 0 387.571 2.463 20 0 GEADRO FC(F)(F)[C@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1nccs1 ZINC000628373466 532464239 /nfs/dbraw/zinc/46/42/39/532464239.db2.gz YQKBINXLERAXNW-CQSZACIVSA-N 1 0 378.464 2.133 20 0 GEADRO C[N@H+](Cc1cc(Br)cc(Br)c1N)[C@]1(CO)CCOC1 ZINC000628367624 532464632 /nfs/dbraw/zinc/46/46/32/532464632.db2.gz JIHQGKJWRQMGHA-ZDUSSCGKSA-N 1 0 394.107 2.377 20 0 GEADRO C[N@H+](CCCO)C1CCN(Cc2ncc(I)s2)CC1 ZINC000519477157 532464919 /nfs/dbraw/zinc/46/49/19/532464919.db2.gz NPGBSKUMYWEBHY-UHFFFAOYSA-N 1 0 395.310 2.026 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592782295 532465119 /nfs/dbraw/zinc/46/51/19/532465119.db2.gz GAWAIJPEXLBYLW-DFBGVHRSSA-N 1 0 383.286 2.462 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)NC(C)(C)c2ccc(Br)cc2)CC1=O ZINC000468440689 532465932 /nfs/dbraw/zinc/46/59/32/532465932.db2.gz 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CC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1Br ZINC000373885616 532477540 /nfs/dbraw/zinc/47/75/40/532477540.db2.gz LVYQCYODWFWDOA-XHDPSFHLSA-N 1 0 387.299 2.024 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000520691180 532496725 /nfs/dbraw/zinc/49/67/25/532496725.db2.gz UVISDYNAQOMCPQ-HNNXBMFYSA-N 1 0 398.374 2.322 20 0 GEADRO O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000651569198 532477988 /nfs/dbraw/zinc/47/79/88/532477988.db2.gz NZLYLROCNPXXRJ-NSHDSACASA-N 1 0 387.354 2.321 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000519777219 532478229 /nfs/dbraw/zinc/47/82/29/532478229.db2.gz QSRRNHSAQYQTCD-CHWSQXEVSA-N 1 0 394.313 2.307 20 0 GEADRO C[C@@H]([NH3+])c1ccc(CNC(=O)CCn2cc(Br)ccc2=O)cc1 ZINC000429524544 532478674 /nfs/dbraw/zinc/47/86/74/532478674.db2.gz XFYNSSIZSXQUPE-GFCCVEGCSA-N 1 0 378.270 2.337 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC[C@H](C)C[NH+](C)C ZINC000295817159 532479215 /nfs/dbraw/zinc/47/92/15/532479215.db2.gz XKVVXYADWKOUPJ-QWHCGFSZSA-N 1 0 386.334 2.250 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000429541238 532479579 /nfs/dbraw/zinc/47/95/79/532479579.db2.gz OKALWVIPZDLXEZ-DOMZBBRYSA-N 1 0 384.318 2.399 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000519819077 532479646 /nfs/dbraw/zinc/47/96/46/532479646.db2.gz DVOKUPXTHHWSKA-JTQLQIEISA-N 1 0 382.839 2.377 20 0 GEADRO CN1CCN([C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c2cccs2)CC1 ZINC000562736769 532480520 /nfs/dbraw/zinc/48/05/20/532480520.db2.gz DXUVUWBCXPWLPR-OAHLLOKOSA-N 1 0 399.607 2.291 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000198160328 532481743 /nfs/dbraw/zinc/48/17/43/532481743.db2.gz WQHSXBBTGDZWGA-UHFFFAOYSA-N 1 0 387.933 2.193 20 0 GEADRO C[C@](O)(C[NH2+]CCCS(C)(=O)=O)c1ccc(Br)cc1Cl ZINC000295852340 532481814 /nfs/dbraw/zinc/48/18/14/532481814.db2.gz IQGFCPQQJQGGHM-ZDUSSCGKSA-N 1 0 384.723 2.334 20 0 GEADRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c2cc(Br)ccc2n1 ZINC000629177539 532482034 /nfs/dbraw/zinc/48/20/34/532482034.db2.gz XGBNZRVNVHMIFJ-CYBMUJFWSA-N 1 0 378.270 2.102 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000651621969 532482479 /nfs/dbraw/zinc/48/24/79/532482479.db2.gz JUPWLZBUAKPDIT-QAPCUYQASA-N 1 0 385.961 2.128 20 0 GEADRO O=C1[C@H](NCc2cn(-c3ccccc3Br)nn2)C[C@@H]2CCCCN12 ZINC000562805192 532483715 /nfs/dbraw/zinc/48/37/15/532483715.db2.gz NXVHCCDNHGUCST-DZGCQCFKSA-N 1 0 390.285 2.273 20 0 GEADRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ncc(Br)cc1F ZINC000282652266 532484642 /nfs/dbraw/zinc/48/46/42/532484642.db2.gz IAIKTJJMUAUJMC-LLVKDONJSA-N 1 0 377.254 2.192 20 0 GEADRO CC[NH2+]CCCNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000562813180 532484773 /nfs/dbraw/zinc/48/47/73/532484773.db2.gz QNTWUFZITKILJJ-UHFFFAOYSA-N 1 0 383.334 2.276 20 0 GEADRO CS(=O)(=O)N1CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000520043735 532485186 /nfs/dbraw/zinc/48/51/86/532485186.db2.gz GDNLDWQMXOJLEV-UHFFFAOYSA-N 1 0 380.432 2.442 20 0 GEADRO CC[NH2+]CCCNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000562813004 532485572 /nfs/dbraw/zinc/48/55/72/532485572.db2.gz XHZZWLHDJUCHPH-UHFFFAOYSA-N 1 0 398.305 2.450 20 0 GEADRO [NH3+]C1C[C@H]2CS(=O)(=O)C[C@@H](C1)C2NC(=O)c1sc2ccccc2c1Cl ZINC000374034186 532486979 /nfs/dbraw/zinc/48/69/79/532486979.db2.gz GPPADNHTLAGHRQ-SWKMLJDHSA-N 1 0 398.937 2.435 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000469027283 532487044 /nfs/dbraw/zinc/48/70/44/532487044.db2.gz NYZBQEGJEIGEGJ-CHWSQXEVSA-N 1 0 382.302 2.168 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(Br)cc4cccnc43)C[C@H]21 ZINC000629354516 532488028 /nfs/dbraw/zinc/48/80/28/532488028.db2.gz RFCVUPUITYTFDU-VIKVFOODSA-N 1 0 396.310 2.178 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000629354717 532488277 /nfs/dbraw/zinc/48/82/77/532488277.db2.gz XNSLHBZNLYRDPC-MSRIBSCDSA-N 1 0 377.279 2.077 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)c1ccc(Cl)s1 ZINC000430075503 532488772 /nfs/dbraw/zinc/48/87/72/532488772.db2.gz BGTMSQCIXKBFDE-CQSZACIVSA-N 1 0 378.881 2.467 20 0 GEADRO C[NH+]1CCC2(CCCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)CC1 ZINC000374102389 532489022 /nfs/dbraw/zinc/48/90/22/532489022.db2.gz RFANBMNEIIPXDH-UHFFFAOYSA-N 1 0 398.301 2.106 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000374084375 532489092 /nfs/dbraw/zinc/48/90/92/532489092.db2.gz PPPRECTVIUZOSJ-GZBFAFLISA-N 1 0 388.917 2.126 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c(C)c1Cl ZINC000374087308 532489289 /nfs/dbraw/zinc/48/92/89/532489289.db2.gz BTRTYTPDCIAVOF-ILWJIGKKSA-N 1 0 378.903 2.139 20 0 GEADRO O=C(CC[NH2+]CC1=Cc2cc(Br)ccc2OC1)N1CCOCC1 ZINC000236756815 532497162 /nfs/dbraw/zinc/49/71/62/532497162.db2.gz ZHJMJANTSBFIAE-UHFFFAOYSA-N 1 0 381.270 2.063 20 0 GEADRO C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)c1ncnn1C ZINC000563002623 532491835 /nfs/dbraw/zinc/49/18/35/532491835.db2.gz IKQXUEBZWORLPP-GXSJLCMTSA-N 1 0 389.681 2.322 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000685200800 532491985 /nfs/dbraw/zinc/49/19/85/532491985.db2.gz UKPKLYSVNZNIDN-UHFFFAOYSA-N 1 0 394.317 2.006 20 0 GEADRO Cn1cc(Cl)c(CNCCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000562998401 532492114 /nfs/dbraw/zinc/49/21/14/532492114.db2.gz HRYBHKLBUCVELW-UHFFFAOYSA-N 1 0 392.706 2.400 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000236676321 532492844 /nfs/dbraw/zinc/49/28/44/532492844.db2.gz GMEAXVNQGNRZFE-NSHDSACASA-N 1 0 378.336 2.311 20 0 GEADRO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000374224002 532493629 /nfs/dbraw/zinc/49/36/29/532493629.db2.gz PPKQWGGAOPVWER-LBPRGKRZSA-N 1 0 387.221 2.013 20 0 GEADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)CCOCC(F)(F)F)C1 ZINC000685497397 532494786 /nfs/dbraw/zinc/49/47/86/532494786.db2.gz JLYBCCKDXYEKFX-LSDHHAIUSA-N 1 0 386.480 2.482 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000236721932 532495000 /nfs/dbraw/zinc/49/50/00/532495000.db2.gz JXDZJPOLHAYFJP-UYSNPLJNSA-N 1 0 382.302 2.403 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236715512 532495174 /nfs/dbraw/zinc/49/51/74/532495174.db2.gz MYUVGZOGHLXIHG-ZIAGYGMSSA-N 1 0 384.343 2.239 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000469213751 532495222 /nfs/dbraw/zinc/49/52/22/532495222.db2.gz XMFNWENYPXAPSU-GXTWGEPZSA-N 1 0 388.917 2.269 20 0 GEADRO CCCN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000520566667 532495855 /nfs/dbraw/zinc/49/58/55/532495855.db2.gz ZKAOWHBAOXLRCD-CYBMUJFWSA-N 1 0 383.286 2.363 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)c(=O)n(C)c1=O ZINC000374257303 532496174 /nfs/dbraw/zinc/49/61/74/532496174.db2.gz DBGGUQQIVIWYPI-OAHLLOKOSA-N 1 0 378.270 2.184 20 0 GEADRO CC(C)(CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000563047631 532496175 /nfs/dbraw/zinc/49/61/75/532496175.db2.gz VSXNOISTXFPDHM-OAHLLOKOSA-N 1 0 396.329 2.101 20 0 GEADRO O=C(COC1C[NH2+]C1)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000430306264 532496266 /nfs/dbraw/zinc/49/62/66/532496266.db2.gz OMRSMNGZYDOESE-UHFFFAOYSA-N 1 0 382.283 2.423 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000519660623 532474162 /nfs/dbraw/zinc/47/41/62/532474162.db2.gz XEKCLUJEBNPNFE-GHMZBOCLSA-N 1 0 376.507 2.429 20 0 GEADRO C[C@@H](NC(=O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(C)C ZINC000429400027 532474564 /nfs/dbraw/zinc/47/45/64/532474564.db2.gz NPLXECRWJRQAHB-BDJLRTHQSA-N 1 0 396.329 2.255 20 0 GEADRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(NS(C)(=O)=O)cc1 ZINC000562634875 532474856 /nfs/dbraw/zinc/47/48/56/532474856.db2.gz HCPMZGPUVASEEB-NSHDSACASA-N 1 0 387.303 2.368 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000429386902 532475416 /nfs/dbraw/zinc/47/54/16/532475416.db2.gz QKEWEMLUESUQDQ-SUMWQHHRSA-N 1 0 383.330 2.355 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000429452099 532476478 /nfs/dbraw/zinc/47/64/78/532476478.db2.gz NJYKMUJXJXULDV-GFCCVEGCSA-N 1 0 383.436 2.111 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000429456865 532476497 /nfs/dbraw/zinc/47/64/97/532476497.db2.gz RPJXQFWJKYIXBR-HNNXBMFYSA-N 1 0 390.347 2.322 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000429439167 532476556 /nfs/dbraw/zinc/47/65/56/532476556.db2.gz BNEOFSOAQQUAEH-RISCZKNCSA-N 1 0 390.347 2.419 20 0 GEADRO C[NH2+]C[C@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000430627855 532502113 /nfs/dbraw/zinc/50/21/13/532502113.db2.gz UOFUDPIDUCQWOB-CYBMUJFWSA-N 1 0 375.332 2.154 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000520985592 532502368 /nfs/dbraw/zinc/50/23/68/532502368.db2.gz QUTDWWUXIACUPQ-GASCZTMLSA-N 1 0 389.949 2.058 20 0 GEADRO CC[NH2+]CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000236991010 532502327 /nfs/dbraw/zinc/50/23/27/532502327.db2.gz WVALNKRKHZFHNY-CYBMUJFWSA-N 1 0 387.933 2.100 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2cc(C)ccc2I)C[C@H]1C[NH3+] ZINC000593917054 532502587 /nfs/dbraw/zinc/50/25/87/532502587.db2.gz USUJKVUVOGRYHJ-BXUZGUMPSA-N 1 0 388.249 2.035 20 0 GEADRO CC1(C)SC[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000282875206 532502631 /nfs/dbraw/zinc/50/26/31/532502631.db2.gz WDHFOHJCLSJVKI-OAHLLOKOSA-N 1 0 379.551 2.184 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000236972359 532502810 /nfs/dbraw/zinc/50/28/10/532502810.db2.gz GWJXHEUVGKRMRM-HIFRSBDPSA-N 1 0 387.933 2.228 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000593915102 532502935 /nfs/dbraw/zinc/50/29/35/532502935.db2.gz GCGNMYFXVJDPPN-AWEZNQCLSA-N 1 0 393.285 2.290 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2cccc(I)c2C)C[C@H]1C[NH3+] ZINC000593916464 532503164 /nfs/dbraw/zinc/50/31/64/532503164.db2.gz KUIUFCOQUISVNN-BXUZGUMPSA-N 1 0 388.249 2.035 20 0 GEADRO [NH3+]CCC1CCN(C(=O)COc2cccc(I)c2)CC1 ZINC000593917132 532503424 /nfs/dbraw/zinc/50/34/24/532503424.db2.gz ZTGOZKISOOODSC-UHFFFAOYSA-N 1 0 388.249 2.257 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000521007958 532503582 /nfs/dbraw/zinc/50/35/82/532503582.db2.gz CALNOUKIPZZEQC-OWCLPIDISA-N 1 0 394.313 2.022 20 0 GEADRO CCO[C@@H]1CN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000652132305 532503721 /nfs/dbraw/zinc/50/37/21/532503721.db2.gz FSHIODTYJSQGRG-XNRPHZJLSA-N 1 0 384.318 2.385 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)cc1Cl ZINC000237091946 532504404 /nfs/dbraw/zinc/50/44/04/532504404.db2.gz RFZQNZDJRXVVET-ULKQDVFKSA-N 1 0 393.292 2.341 20 0 GEADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914606 532504502 /nfs/dbraw/zinc/50/45/02/532504502.db2.gz BQDHAITWFXZPBG-AWEZNQCLSA-N 1 0 394.269 2.209 20 0 GEADRO C[NH2+]CC1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000237058738 532504581 /nfs/dbraw/zinc/50/45/81/532504581.db2.gz AZAHNHNRWLEDSZ-INIZCTEOSA-N 1 0 394.313 2.260 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000469545018 532504895 /nfs/dbraw/zinc/50/48/95/532504895.db2.gz OWZBZWDNUQDMGM-LBPRGKRZSA-N 1 0 386.290 2.123 20 0 GEADRO C[NH2+]C1(CNC(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)CCC1 ZINC000629997402 532505132 /nfs/dbraw/zinc/50/51/32/532505132.db2.gz KSJMAAFEWZVKJV-OAHLLOKOSA-N 1 0 396.329 2.462 20 0 GEADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NCCC1CC[NH2+]CC1 ZINC000652196279 532505251 /nfs/dbraw/zinc/50/52/51/532505251.db2.gz NMJSXJZVPMCPBO-UHFFFAOYSA-N 1 0 387.933 2.193 20 0 GEADRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000563455860 532505272 /nfs/dbraw/zinc/50/52/72/532505272.db2.gz CCAOSJVCWOCGHE-SKDRFNHKSA-N 1 0 380.246 2.221 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC000630004618 532505436 /nfs/dbraw/zinc/50/54/36/532505436.db2.gz FYFZJRYRIYEUMR-CYBMUJFWSA-N 1 0 399.329 2.209 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)CC1 ZINC000563446432 532505587 /nfs/dbraw/zinc/50/55/87/532505587.db2.gz SMHGUTWNGDZNTQ-UHFFFAOYSA-N 1 0 395.294 2.217 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2CCCN2C)cc(I)c1OC ZINC000237242466 532505776 /nfs/dbraw/zinc/50/57/76/532505776.db2.gz LMFOROLZFQPTSB-LBPRGKRZSA-N 1 0 390.265 2.492 20 0 GEADRO CN(CC[NH+](C)C)C(=O)CCOc1cccc(I)c1 ZINC000469575996 532505869 /nfs/dbraw/zinc/50/58/69/532505869.db2.gz FUHHVTXKTVOEPR-UHFFFAOYSA-N 1 0 376.238 2.080 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1F ZINC000594455907 532506955 /nfs/dbraw/zinc/50/69/55/532506955.db2.gz FKAKXCNYXDIFHW-QWHCGFSZSA-N 1 0 390.864 2.171 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000563608584 532506901 /nfs/dbraw/zinc/50/69/01/532506901.db2.gz OSFAVLQRYCOXOL-SRMUXQRQSA-N 1 0 397.317 2.491 20 0 GEADRO CN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000563605613 532507261 /nfs/dbraw/zinc/50/72/61/532507261.db2.gz BISCRUYWZORVCU-KYOSRNDESA-N 1 0 385.917 2.327 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469612525 532507299 /nfs/dbraw/zinc/50/72/99/532507299.db2.gz ARUIJYKVVKCFQZ-FUEDEBDSSA-N 1 0 392.297 2.474 20 0 GEADRO [NH3+]CC1(CCNC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000652234258 532507529 /nfs/dbraw/zinc/50/75/29/532507529.db2.gz YGYBYMBLWLFLHB-UHFFFAOYSA-N 1 0 394.273 2.427 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652375439 532508352 /nfs/dbraw/zinc/50/83/52/532508352.db2.gz QTYIFCKPJZVYFC-NWANDNLSSA-N 1 0 388.917 2.256 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000282954860 532508764 /nfs/dbraw/zinc/50/87/64/532508764.db2.gz ZMQXLEJWZKFNJN-OAHLLOKOSA-N 1 0 384.318 2.349 20 0 GEADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1ccc(Br)cc1Br ZINC000237656693 532508879 /nfs/dbraw/zinc/50/88/79/532508879.db2.gz MMRLQUGEXHLNOW-SSDOTTSWSA-N 1 0 386.109 2.179 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652383586 532509139 /nfs/dbraw/zinc/50/91/39/532509139.db2.gz AFTHMMAFPYNCJQ-LZWOXQAQSA-N 1 0 388.917 2.398 20 0 GEADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000652377090 532509398 /nfs/dbraw/zinc/50/93/98/532509398.db2.gz WOPLPKCQWKBFGQ-RHSMWYFYSA-N 1 0 388.555 2.008 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000652378882 532510058 /nfs/dbraw/zinc/51/00/58/532510058.db2.gz LIVCLVOOOXDAKW-UHFFFAOYSA-N 1 0 381.267 2.004 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237740860 532510735 /nfs/dbraw/zinc/51/07/35/532510735.db2.gz OKOLCQYUJSSYMC-GJZGRUSLSA-N 1 0 386.279 2.301 20 0 GEADRO NC(=O)c1cccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c1 ZINC000237734210 532510789 /nfs/dbraw/zinc/51/07/89/532510789.db2.gz NDYQXOGBQLXNOC-UHFFFAOYSA-N 1 0 390.281 2.458 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594482999 532511051 /nfs/dbraw/zinc/51/10/51/532511051.db2.gz HCWZLCONUNSFQZ-GJZGRUSLSA-N 1 0 386.901 2.422 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000469757377 532511702 /nfs/dbraw/zinc/51/17/02/532511702.db2.gz RBQXIVNJQMJJKM-NSHDSACASA-N 1 0 392.315 2.048 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237706436 532511942 /nfs/dbraw/zinc/51/19/42/532511942.db2.gz AEBIQNSTXIWPPK-DCAQKATOSA-N 1 0 388.331 2.215 20 0 GEADRO [NH3+]C1CCN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)CC1 ZINC000237931858 532513303 /nfs/dbraw/zinc/51/33/03/532513303.db2.gz LULMYZXXDJYCOB-UHFFFAOYSA-N 1 0 390.285 2.471 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1F ZINC000594532379 532513361 /nfs/dbraw/zinc/51/33/61/532513361.db2.gz QEHVWCYLFCYGRK-MRXNPFEDSA-N 1 0 390.864 2.030 20 0 GEADRO [NH3+]Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)o1 ZINC000237948843 532513394 /nfs/dbraw/zinc/51/33/94/532513394.db2.gz LVNUTAFMTCWWGE-UHFFFAOYSA-N 1 0 392.253 2.099 20 0 GEADRO Cc1cccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Br ZINC000296305316 532513748 /nfs/dbraw/zinc/51/37/48/532513748.db2.gz WBVJWRCYMJQCQJ-YHWZYXNKSA-N 1 0 380.286 2.437 20 0 GEADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594531640 532513865 /nfs/dbraw/zinc/51/38/65/532513865.db2.gz UXTQFDFIEYTFME-UHFFFAOYSA-N 1 0 392.880 2.418 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1F ZINC000594531677 532513899 /nfs/dbraw/zinc/51/38/99/532513899.db2.gz VSIARQWLRJZSOI-ZJUUUORDSA-N 1 0 378.853 2.014 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1F ZINC000594530970 532514008 /nfs/dbraw/zinc/51/40/08/532514008.db2.gz NFHBZCHXZXMMCO-JOYOIKCWSA-N 1 0 378.853 2.062 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000469858716 532514175 /nfs/dbraw/zinc/51/41/75/532514175.db2.gz IKEVHBIRMIIVAQ-AWEZNQCLSA-N 1 0 388.339 2.041 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000469859333 532514446 /nfs/dbraw/zinc/51/44/46/532514446.db2.gz OGTOPPDIFPQFLX-KGLIPLIRSA-N 1 0 377.312 2.122 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000237967745 532514892 /nfs/dbraw/zinc/51/48/92/532514892.db2.gz ZKOXZBGAWCGCQI-UKRRQHHQSA-N 1 0 382.302 2.203 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000238007753 532515094 /nfs/dbraw/zinc/51/50/94/532515094.db2.gz BZCBIRSKPDMPQR-ZBFHGGJFSA-N 1 0 394.313 2.251 20 0 GEADRO Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cn1 ZINC000238007514 532515331 /nfs/dbraw/zinc/51/53/31/532515331.db2.gz DQYQWHKFYLSBJJ-SNVBAGLBSA-N 1 0 375.226 2.418 20 0 GEADRO [NH3+]CCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC000237986662 532515549 /nfs/dbraw/zinc/51/55/49/532515549.db2.gz UDFFNOPXNLICEN-UHFFFAOYSA-N 1 0 383.708 2.263 20 0 GEADRO COc1ccc(C(=O)N2CCn3cc(C)nc3C2)cc1I ZINC000374720187 532516170 /nfs/dbraw/zinc/51/61/70/532516170.db2.gz WKVYPMVJWSUYLU-UHFFFAOYSA-N 1 0 397.216 2.461 20 0 GEADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCc1sccc1Br ZINC000652680323 532516753 /nfs/dbraw/zinc/51/67/53/532516753.db2.gz ADWIHOOPSDWQRD-UHFFFAOYSA-N 1 0 396.310 2.163 20 0 GEADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000238074595 532516864 /nfs/dbraw/zinc/51/68/64/532516864.db2.gz HKPXFPQGIVCLMN-INIZCTEOSA-N 1 0 389.297 2.063 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000238041959 532517313 /nfs/dbraw/zinc/51/73/13/532517313.db2.gz CHKUQKHUSRRTJU-JVXZTZIISA-N 1 0 380.176 2.427 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)c(F)cc1Br ZINC000652643104 532517571 /nfs/dbraw/zinc/51/75/71/532517571.db2.gz YNMZXCSUBYQLBA-UHFFFAOYSA-N 1 0 386.265 2.341 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCn1cccn1 ZINC000296397956 532518152 /nfs/dbraw/zinc/51/81/52/532518152.db2.gz LJMCPGIVCPLXOL-ZDUSSCGKSA-N 1 0 395.301 2.339 20 0 GEADRO CCOc1cc(C[NH2+][C@@H](C)C(=O)NCCF)cc(Br)c1OC ZINC000282804438 532497647 /nfs/dbraw/zinc/49/76/47/532497647.db2.gz XHKPGEZVWWQZAM-JTQLQIEISA-N 1 0 377.254 2.420 20 0 GEADRO C[C@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000563116763 532497786 /nfs/dbraw/zinc/49/77/86/532497786.db2.gz MZOIZHSICIGGHI-RYUDHWBXSA-N 1 0 378.523 2.443 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000430321784 532497782 /nfs/dbraw/zinc/49/77/82/532497782.db2.gz MLGIXUNFTMRRDR-UHFFFAOYSA-N 1 0 390.267 2.175 20 0 GEADRO CCc1ccc([C@@H]2CNCCN2S(=O)(=O)c2c(C)nn(C)c2Cl)cc1 ZINC000374309328 532497871 /nfs/dbraw/zinc/49/78/71/532497871.db2.gz HODZTSOGEYSDIL-HNNXBMFYSA-N 1 0 382.917 2.280 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000563129589 532498060 /nfs/dbraw/zinc/49/80/60/532498060.db2.gz DCBULRQNUPLHCS-QWRGUYRKSA-N 1 0 377.304 2.254 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000520811429 532498700 /nfs/dbraw/zinc/49/87/00/532498700.db2.gz JJZGMLWHVODDCR-DGCLKSJQSA-N 1 0 389.905 2.103 20 0 GEADRO CC(C)([NH3+])CC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000236840611 532499303 /nfs/dbraw/zinc/49/93/03/532499303.db2.gz SMCCIINADGJKPF-UHFFFAOYSA-N 1 0 391.331 2.245 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236920018 532500144 /nfs/dbraw/zinc/50/01/44/532500144.db2.gz PCVUAOPDGJAMRZ-UKRRQHHQSA-N 1 0 382.302 2.436 20 0 GEADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000236897244 532500788 /nfs/dbraw/zinc/50/07/88/532500788.db2.gz HGMYYXRFJVXJAT-XUJVJEKNSA-N 1 0 397.317 2.395 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000282841192 532500793 /nfs/dbraw/zinc/50/07/93/532500793.db2.gz RIDUHFBBECUXHO-DOMZBBRYSA-N 1 0 383.286 2.357 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000236898530 532501063 /nfs/dbraw/zinc/50/10/63/532501063.db2.gz CNFDSWWLYPVPLH-CQSZACIVSA-N 1 0 387.571 2.099 20 0 GEADRO CCn1cccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1=O ZINC000521864374 532518765 /nfs/dbraw/zinc/51/87/65/532518765.db2.gz ZJDVEZNEQFLISM-HNNXBMFYSA-N 1 0 381.270 2.160 20 0 GEADRO CC[NH2+]CC1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000430594465 532501732 /nfs/dbraw/zinc/50/17/32/532501732.db2.gz VWGNOKHVHGAHAQ-UHFFFAOYSA-N 1 0 379.306 2.246 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469398247 532501968 /nfs/dbraw/zinc/50/19/68/532501968.db2.gz UCFVVXWNSJNNPE-FZMZJTMJSA-N 1 0 380.286 2.285 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccc2Br)C1)COC1CCOCC1 ZINC000564857691 532535202 /nfs/dbraw/zinc/53/52/02/532535202.db2.gz WXVCUADTPPPQGC-CABCVRRESA-N 1 0 399.329 2.174 20 0 GEADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000564858507 532535246 /nfs/dbraw/zinc/53/52/46/532535246.db2.gz LMRJWLRATHHGIU-YDHLFZDLSA-N 1 0 385.302 2.070 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCc2n[nH]cc2C1)COc1cc(F)cc(Br)c1 ZINC000564855379 532535791 /nfs/dbraw/zinc/53/57/91/532535791.db2.gz WQKSXLCFTQBYBX-KGLIPLIRSA-N 1 0 384.249 2.198 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCN(c2ccccc2Br)C1)COC1CCOCC1 ZINC000564857696 532536097 /nfs/dbraw/zinc/53/60/97/532536097.db2.gz WXVCUADTPPPQGC-LSDHHAIUSA-N 1 0 399.329 2.174 20 0 GEADRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000246296694 532536894 /nfs/dbraw/zinc/53/68/94/532536894.db2.gz YGTVXHAVRVPQTN-CMPLNLGQSA-N 1 0 393.709 2.156 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000246299178 532537806 /nfs/dbraw/zinc/53/78/06/532537806.db2.gz NVYAATSCONDSMZ-GUTXKFCHSA-N 1 0 394.313 2.436 20 0 GEADRO C[C@@H](NC(=O)CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)N(C)C ZINC000246445197 532538952 /nfs/dbraw/zinc/53/89/52/532538952.db2.gz LFOPOJQQEIHQDC-DGCLKSJQSA-N 1 0 388.295 2.039 20 0 GEADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000564956983 532538992 /nfs/dbraw/zinc/53/89/92/532538992.db2.gz WRTBSCNAYADGLR-QPUJVOFHSA-N 1 0 381.192 2.469 20 0 GEADRO C[C@H](NC(=O)CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)N(C)C ZINC000246445220 532539052 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ZINC000654085383 532548950 /nfs/dbraw/zinc/54/89/50/532548950.db2.gz ZSUVDRVOORBNSR-WDEREUQCSA-N 1 0 375.803 2.267 20 0 GEADRO C[NH+]1CCC(n2cc(NCc3ccc(S(N)(=O)=O)c(Cl)c3)cn2)CC1 ZINC000631225165 532549312 /nfs/dbraw/zinc/54/93/12/532549312.db2.gz ICVWDUPKKWQIHQ-UHFFFAOYSA-N 1 0 383.905 2.063 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000262056272 532582960 /nfs/dbraw/zinc/58/29/60/532582960.db2.gz ITTZIHAAUISABI-HNNXBMFYSA-N 1 0 380.901 2.425 20 0 GEADRO O=S(=O)(c1ccc(Cl)s1)N1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262043086 532583441 /nfs/dbraw/zinc/58/34/41/532583441.db2.gz YPLDOOZRXBFDDM-CYBMUJFWSA-N 1 0 377.963 2.098 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000262026635 532583465 /nfs/dbraw/zinc/58/34/65/532583465.db2.gz GOPYJALIEUZDRK-INIZCTEOSA-N 1 0 384.318 2.286 20 0 GEADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000297352290 532583909 /nfs/dbraw/zinc/58/39/09/532583909.db2.gz FHEKJFYRCNUKJZ-KGLIPLIRSA-N 1 0 382.555 2.389 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)ccc2s1 ZINC000262062439 532584133 /nfs/dbraw/zinc/58/41/33/532584133.db2.gz OCBNORGJIHGJOT-RYUDHWBXSA-N 1 0 382.507 2.449 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000262066244 532584497 /nfs/dbraw/zinc/58/44/97/532584497.db2.gz JNGJMCBYDWNMSQ-INIZCTEOSA-N 1 0 396.329 2.087 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000297386172 532585426 /nfs/dbraw/zinc/58/54/26/532585426.db2.gz NNFQTRWVKCOBSD-BBRMVZONSA-N 1 0 394.313 2.251 20 0 GEADRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000565946581 532585575 /nfs/dbraw/zinc/58/55/75/532585575.db2.gz XUJDYHBAFBGDAI-MRXNPFEDSA-N 1 0 395.297 2.257 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1Br ZINC000262147794 532585652 /nfs/dbraw/zinc/58/56/52/532585652.db2.gz XICIPPRFVBYRJS-GFCCVEGCSA-N 1 0 398.198 2.154 20 0 GEADRO O=C(c1cc(Br)cc2ccccc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297654 532586055 /nfs/dbraw/zinc/58/60/55/532586055.db2.gz OMCBVQHOELOYNU-LSDHHAIUSA-N 1 0 375.266 2.493 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)ccc2s1 ZINC000262152879 532586237 /nfs/dbraw/zinc/58/62/37/532586237.db2.gz ZCEDLRKQNLAOJF-NEPJUHHUSA-N 1 0 382.507 2.436 20 0 GEADRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000565946472 532586418 /nfs/dbraw/zinc/58/64/18/532586418.db2.gz UHIOTCRSIWLIPI-HNNXBMFYSA-N 1 0 381.519 2.342 20 0 GEADRO CC(C)(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1csc(-c2cccs2)n1 ZINC000655294589 532586434 /nfs/dbraw/zinc/58/64/34/532586434.db2.gz BRORQQJNCNWZRZ-QWHCGFSZSA-N 1 0 377.535 2.427 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000262175754 532587709 /nfs/dbraw/zinc/58/77/09/532587709.db2.gz YCCCGFYIFOXLSZ-CYBMUJFWSA-N 1 0 389.587 2.249 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655431493 532588135 /nfs/dbraw/zinc/58/81/35/532588135.db2.gz OXAUDGJRANAJFI-CXAGYDPISA-N 1 0 380.286 2.202 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596123852 532588249 /nfs/dbraw/zinc/58/82/49/532588249.db2.gz GAPITAAXQNUZHR-OAHLLOKOSA-N 1 0 386.246 2.118 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000596122949 532588318 /nfs/dbraw/zinc/58/83/18/532588318.db2.gz WCXPVKKDQHCLAP-ZDUSSCGKSA-N 1 0 375.210 2.173 20 0 GEADRO O=C(NCCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1cccc(Br)c1 ZINC000655431274 532588406 /nfs/dbraw/zinc/58/84/06/532588406.db2.gz AHEWJQYNIJUSID-MAUKXSAKSA-N 1 0 394.313 2.075 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000655523393 532595728 /nfs/dbraw/zinc/59/57/28/532595728.db2.gz IHDXDFKVVRDQNH-UHFFFAOYSA-N 1 0 383.539 2.365 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000566056745 532589690 /nfs/dbraw/zinc/58/96/90/532589690.db2.gz COQLUFRSRUTFKD-GFCCVEGCSA-N 1 0 379.262 2.375 20 0 GEADRO [NH3+]CCc1nc(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)cs1 ZINC000262353753 532589918 /nfs/dbraw/zinc/58/99/18/532589918.db2.gz IYYJZUQQROYKQF-UHFFFAOYSA-N 1 0 376.463 2.092 20 0 GEADRO CSc1cc(Br)ccc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000655461657 532590210 /nfs/dbraw/zinc/59/02/10/532590210.db2.gz VTXXBABETHSFTF-ZDUSSCGKSA-N 1 0 384.343 2.291 20 0 GEADRO COC(=O)C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1ccc(SC)cc1 ZINC000262342820 532590571 /nfs/dbraw/zinc/59/05/71/532590571.db2.gz HFHQGWAQZBFQCG-ZDUSSCGKSA-N 1 0 379.507 2.400 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CCCO1 ZINC000566056983 532590690 /nfs/dbraw/zinc/59/06/90/532590690.db2.gz ZAQWJNKQMJQXCY-JTQLQIEISA-N 1 0 385.852 2.579 20 0 GEADRO C[C@@H](c1ccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1)C(F)(F)F ZINC000297474246 532591253 /nfs/dbraw/zinc/59/12/53/532591253.db2.gz LESRZXNLJIVWKU-GXTWGEPZSA-N 1 0 379.448 2.358 20 0 GEADRO C[C@@H](CC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000566071434 532591718 /nfs/dbraw/zinc/59/17/18/532591718.db2.gz MLRHIINACZYYIR-YVEFUNNKSA-N 1 0 396.329 2.460 20 0 GEADRO O=S(=O)(c1ccc(CC[NH2+][C@H]2CCn3ccnc32)s1)N1CCCCC1 ZINC000297559575 532595826 /nfs/dbraw/zinc/59/58/26/532595826.db2.gz GBWCUQJUPMWFSJ-HNNXBMFYSA-N 1 0 380.539 2.396 20 0 GEADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000297481441 532591839 /nfs/dbraw/zinc/59/18/39/532591839.db2.gz ZWFQEGLRKUDETF-WQVCFCJDSA-N 1 0 394.313 2.392 20 0 GEADRO Cc1ccc(OCCC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000262375974 532592348 /nfs/dbraw/zinc/59/23/48/532592348.db2.gz MIMIUSBMYHGPGE-HNNXBMFYSA-N 1 0 396.329 2.033 20 0 GEADRO [NH3+]C[C@H](NC(=O)COc1ccc(Br)cc1Cl)C(F)(F)F ZINC000655507528 532594058 /nfs/dbraw/zinc/59/40/58/532594058.db2.gz UZAGRQOFOGJNIZ-VIFPVBQESA-N 1 0 375.572 2.487 20 0 GEADRO CCCc1nc(C(=O)N[C@H](C[NH3+])C(F)(F)F)nn1-c1ccccc1Cl ZINC000655511874 532594235 /nfs/dbraw/zinc/59/42/35/532594235.db2.gz MVPXXUFGYJAQHY-LLVKDONJSA-N 1 0 375.782 2.493 20 0 GEADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)s1 ZINC000376073022 532594304 /nfs/dbraw/zinc/59/43/04/532594304.db2.gz CAGDIDJSNICCEL-GXTWGEPZSA-N 1 0 387.571 2.248 20 0 GEADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262449421 532594386 /nfs/dbraw/zinc/59/43/86/532594386.db2.gz DVOGABNSLXYPBE-UGQVUOCMSA-N 1 0 397.313 2.226 20 0 GEADRO COCC1(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000262445330 532594477 /nfs/dbraw/zinc/59/44/77/532594477.db2.gz YQOYBSWEGYTDER-INIZCTEOSA-N 1 0 397.313 2.365 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566131546 532594491 /nfs/dbraw/zinc/59/44/91/532594491.db2.gz NCKDXTVGBPYMJA-WFASDCNBSA-N 1 0 389.279 2.393 20 0 GEADRO CC[C@@H](NC(=O)[C@H]([NH3+])COC)c1noc(-c2cccc(Br)c2)n1 ZINC000376063122 532594846 /nfs/dbraw/zinc/59/48/46/532594846.db2.gz XQLYAPBEUQOZBV-VXGBXAGGSA-N 1 0 383.246 2.040 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297542931 532594947 /nfs/dbraw/zinc/59/49/47/532594947.db2.gz OXHGJNSSGDIKRH-UHFFFAOYSA-N 1 0 377.246 2.135 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000631972380 532570751 /nfs/dbraw/zinc/57/07/51/532570751.db2.gz CKKDYMYGNPFCJM-PWSUYJOCSA-N 1 0 377.304 2.348 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000250138271 532571010 /nfs/dbraw/zinc/57/10/10/532571010.db2.gz YMVMOUZYGSWRBK-KFWWJZLASA-N 1 0 384.567 2.465 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000250122014 532571014 /nfs/dbraw/zinc/57/10/14/532571014.db2.gz VOXZZQAIUMCLMB-KCXAZCMYSA-N 1 0 383.945 2.306 20 0 GEADRO COC[C@@H]1CN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000251857216 532571190 /nfs/dbraw/zinc/57/11/90/532571190.db2.gz NXPLCBGTTSJHJR-WWGRRREGSA-N 1 0 385.302 2.362 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631994941 532571918 /nfs/dbraw/zinc/57/19/18/532571918.db2.gz UXOJJSQTDLRALA-BXUZGUMPSA-N 1 0 389.315 2.220 20 0 GEADRO C[C@H](O)CN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)[C@@H](C)C1 ZINC000251690620 532572658 /nfs/dbraw/zinc/57/26/58/532572658.db2.gz HXNBNQXDTPYYIC-RYUDHWBXSA-N 1 0 380.286 2.458 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C1 ZINC000283995405 532572964 /nfs/dbraw/zinc/57/29/64/532572964.db2.gz IDNDHPHVTLAXSQ-VHSXEESVSA-N 1 0 376.404 2.043 20 0 GEADRO C[C@@]12COC[C@H]1C[N@H+](CC(=O)Nc1cccc(I)c1)C2 ZINC000595757396 532573598 /nfs/dbraw/zinc/57/35/98/532573598.db2.gz JGVGXJQIIPEVRP-IAQYHMDHSA-N 1 0 386.233 2.198 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2csc3ccc(Br)cc23)C1 ZINC000472497038 532576121 /nfs/dbraw/zinc/57/61/21/532576121.db2.gz KEXGZPNQHLDBOT-MRXNPFEDSA-N 1 0 383.311 2.389 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CC2CC1(C[NH3+])C2 ZINC000595907709 532576414 /nfs/dbraw/zinc/57/64/14/532576414.db2.gz DVQOBJWKOSMPKI-NLTNOIMHSA-N 1 0 385.249 2.041 20 0 GEADRO NC(=O)c1ncc(Br)cc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000472495863 532576597 /nfs/dbraw/zinc/57/65/97/532576597.db2.gz HTKILMVERIGIBQ-BXUZGUMPSA-N 1 0 379.302 2.396 20 0 GEADRO O=C(Cc1cc(Cl)ccc1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261687229 532576737 /nfs/dbraw/zinc/57/67/37/532576737.db2.gz AVQKARHHHDIMRA-CYBMUJFWSA-N 1 0 384.229 2.488 20 0 GEADRO NC(=O)c1ncc(Br)cc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000472495896 532576819 /nfs/dbraw/zinc/57/68/19/532576819.db2.gz HTKILMVERIGIBQ-FZMZJTMJSA-N 1 0 379.302 2.396 20 0 GEADRO C[C@@]([NH3+])(C(=O)NCCC(=O)N1CCCCC1)c1ccc(Br)cc1 ZINC000261731507 532577652 /nfs/dbraw/zinc/57/76/52/532577652.db2.gz LAALNWTUAJHXAW-KRWDZBQOSA-N 1 0 382.302 2.142 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528750256 532579678 /nfs/dbraw/zinc/57/96/78/532579678.db2.gz CDILRLLDIPRNRU-AFAVFJNCSA-N 1 0 385.302 2.089 20 0 GEADRO [NH3+][C@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)C1CCOCC1 ZINC000261984354 532579807 /nfs/dbraw/zinc/57/98/07/532579807.db2.gz MJKTXBAWKMOENE-CVEARBPZSA-N 1 0 383.286 2.103 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1C(F)(F)F ZINC000261974750 532580157 /nfs/dbraw/zinc/58/01/57/532580157.db2.gz BUSKGVXJPKCOAO-UHFFFAOYSA-N 1 0 382.404 2.097 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000261982553 532580285 /nfs/dbraw/zinc/58/02/85/532580285.db2.gz MFAQZLFUUWORRS-LBPRGKRZSA-N 1 0 380.208 2.015 20 0 GEADRO O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261967457 532580486 /nfs/dbraw/zinc/58/04/86/532580486.db2.gz YMWWKJPHJJOQJC-NSHDSACASA-N 1 0 398.743 2.315 20 0 GEADRO C[C@@]1(CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]C1 ZINC000261997180 532582146 /nfs/dbraw/zinc/58/21/46/532582146.db2.gz KWVFNZHOFMTURZ-OAHLLOKOSA-N 1 0 377.963 2.098 20 0 GEADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566496554 532613926 /nfs/dbraw/zinc/61/39/26/532613926.db2.gz RXIZXRVVNNQYEW-VHSXEESVSA-N 1 0 396.925 2.217 20 0 GEADRO COc1cc(CN2CCC[C@H]([NH3+])C2)cc(I)c1OC ZINC000435387087 532615457 /nfs/dbraw/zinc/61/54/57/532615457.db2.gz WWFHXTIYJLUQSK-NSHDSACASA-N 1 0 376.238 2.232 20 0 GEADRO C[NH2+]C[C@H]1CCCN1Cc1cc(I)c(OC)c(OC)c1 ZINC000435390791 532615594 /nfs/dbraw/zinc/61/55/94/532615594.db2.gz UCWZXRIHQYFYQK-GFCCVEGCSA-N 1 0 390.265 2.492 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656360863 532616059 /nfs/dbraw/zinc/61/60/59/532616059.db2.gz WPNLUVDPTUKHAU-ZIAGYGMSSA-N 1 0 398.301 2.134 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cc(Br)cc4c3OCC4)C[C@@H]12 ZINC000566551404 532616262 /nfs/dbraw/zinc/61/62/62/532616262.db2.gz ZJXATXPMQCCMID-NILFDRSVSA-N 1 0 380.286 2.263 20 0 GEADRO C[C@@H](CSc1ccccc1)N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632508258 532616487 /nfs/dbraw/zinc/61/64/87/532616487.db2.gz ZNKHPYQLPMTFKF-KRWDZBQOSA-N 1 0 385.599 2.066 20 0 GEADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000284760435 532617125 /nfs/dbraw/zinc/61/71/25/532617125.db2.gz MFIUSMUMXVVJKI-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc[nH]c(=O)c1Br ZINC000435581749 532622118 /nfs/dbraw/zinc/62/21/18/532622118.db2.gz XEEJZLOFCLIHNZ-UHFFFAOYSA-N 1 0 376.254 2.338 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000566571892 532617668 /nfs/dbraw/zinc/61/76/68/532617668.db2.gz FTGPAMDTQHRAJR-SKDRFNHKSA-N 1 0 395.294 2.393 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@H]1[NH+](C)C ZINC000597445754 532617690 /nfs/dbraw/zinc/61/76/90/532617690.db2.gz JJSLVQWPIISJKL-VXGBXAGGSA-N 1 0 399.314 2.149 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(Br)n2)CCCCC1 ZINC000284773830 532618020 /nfs/dbraw/zinc/61/80/20/532618020.db2.gz NIKGDUOLLHVFNI-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO COC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)s1)C(C)C ZINC000566647637 532622167 /nfs/dbraw/zinc/62/21/67/532622167.db2.gz GJQNBOKURYADQQ-ZANVPECISA-N 1 0 377.304 2.475 20 0 GEADRO Fc1cccc(Br)c1CN[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000376569399 532618274 /nfs/dbraw/zinc/61/82/74/532618274.db2.gz GKMKVPTVWZRJGV-AWEZNQCLSA-N 1 0 386.309 2.084 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[NH+]1CCCC1 ZINC000284792026 532620205 /nfs/dbraw/zinc/62/02/05/532620205.db2.gz OSRPYDKFQRDGFA-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc(Br)n2)([NH+](C)C)C1 ZINC000284782046 532620549 /nfs/dbraw/zinc/62/05/49/532620549.db2.gz NZOQEZYJPLBACE-PXAZEXFGSA-N 1 0 397.317 2.409 20 0 GEADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)Cc1cn2ccsc2n1 ZINC000435593689 532621048 /nfs/dbraw/zinc/62/10/48/532621048.db2.gz NWRYWJCSNQXXIL-ZDUSSCGKSA-N 1 0 375.523 2.342 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000376124990 532597059 /nfs/dbraw/zinc/59/70/59/532597059.db2.gz AIMBSDWZYHQBGD-HZPDHXFCSA-N 1 0 375.897 2.359 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(c2ncccc2I)CCO1 ZINC000596566705 532599008 /nfs/dbraw/zinc/59/90/08/532599008.db2.gz JMLGNVWUNCHCEM-GFCCVEGCSA-N 1 0 375.254 2.233 20 0 GEADRO Cc1c(C(=O)Nc2nc(-c3cccs3)ns2)nnn1C1CC[NH2+]CC1 ZINC000566188304 532599084 /nfs/dbraw/zinc/59/90/84/532599084.db2.gz XQEHTMGMBZDWFL-UHFFFAOYSA-N 1 0 375.483 2.343 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000262773360 532599169 /nfs/dbraw/zinc/59/91/69/532599169.db2.gz BNIGEGHSSLUGBH-MBNYWOFBSA-N 1 0 380.286 2.059 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c(Br)c1 ZINC000262748208 532599969 /nfs/dbraw/zinc/59/99/69/532599969.db2.gz FJMSYBOCRZKFRG-ZDUSSCGKSA-N 1 0 379.320 2.452 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000566189691 532600068 /nfs/dbraw/zinc/60/00/68/532600068.db2.gz WDDCZEVQVDDECU-UHFFFAOYSA-N 1 0 394.313 2.171 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000262770112 532600232 /nfs/dbraw/zinc/60/02/32/532600232.db2.gz LYWRKKLTZJTAPC-GFCCVEGCSA-N 1 0 376.906 2.304 20 0 GEADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000566194988 532600567 /nfs/dbraw/zinc/60/05/67/532600567.db2.gz UATYPQAVEOTPFW-YJBOKZPZSA-N 1 0 396.304 2.232 20 0 GEADRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000566194986 532600675 /nfs/dbraw/zinc/60/06/75/532600675.db2.gz UATYPQAVEOTPFW-MAUKXSAKSA-N 1 0 396.304 2.232 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)C[C@H]12 ZINC000262788669 532601084 /nfs/dbraw/zinc/60/10/84/532601084.db2.gz REWYKAGXLUDREE-ATZCPNFKSA-N 1 0 379.707 2.460 20 0 GEADRO CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000566196154 532601118 /nfs/dbraw/zinc/60/11/18/532601118.db2.gz CQKRSLIIOCYQLE-WFASDCNBSA-N 1 0 382.302 2.367 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Br)cn1 ZINC000284556303 532601243 /nfs/dbraw/zinc/60/12/43/532601243.db2.gz VIRNTIFUFHNUFB-LBPRGKRZSA-N 1 0 397.317 2.012 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000262785897 532601500 /nfs/dbraw/zinc/60/15/00/532601500.db2.gz ZQKQCKJKRFOMCR-VWYCJHECSA-N 1 0 388.331 2.357 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000262800064 532602076 /nfs/dbraw/zinc/60/20/76/532602076.db2.gz OVEABYPNPOZLAD-XQQFMLRXSA-N 1 0 380.286 2.011 20 0 GEADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000529407605 532602198 /nfs/dbraw/zinc/60/21/98/532602198.db2.gz HHVXHURYRJGFMF-LBPRGKRZSA-N 1 0 383.286 2.480 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000473904696 532602410 /nfs/dbraw/zinc/60/24/10/532602410.db2.gz UKZYIDJDPWQNNI-UHFFFAOYSA-N 1 0 376.906 2.129 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000262805228 532602412 /nfs/dbraw/zinc/60/24/12/532602412.db2.gz WQVKEABVVZQZKP-LBPRGKRZSA-N 1 0 394.324 2.002 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000262800065 532602537 /nfs/dbraw/zinc/60/25/37/532602537.db2.gz OVEABYPNPOZLAD-YNEHKIRRSA-N 1 0 380.286 2.011 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000297689642 532603048 /nfs/dbraw/zinc/60/30/48/532603048.db2.gz DHNLNDUDLDXSPW-UHFFFAOYSA-N 1 0 384.318 2.206 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)C(F)(F)F ZINC000655927672 532603081 /nfs/dbraw/zinc/60/30/81/532603081.db2.gz IZYMLVLLKMJCST-VHSXEESVSA-N 1 0 382.180 2.462 20 0 GEADRO COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000434782417 532603389 /nfs/dbraw/zinc/60/33/89/532603389.db2.gz GGTCGSQPMGNTRB-HUUCEWRRSA-N 1 0 392.315 2.006 20 0 GEADRO [NH3+]C[C@H](NC(=O)N[C@H](c1cncc(Br)c1)C1CC1)C(F)(F)F ZINC000655926155 532603808 /nfs/dbraw/zinc/60/38/08/532603808.db2.gz CJDLDOQNTKWUGM-QWRGUYRKSA-N 1 0 381.196 2.484 20 0 GEADRO NS(=O)(=O)c1cc(Cl)cc(CN2CC[C@H](OCc3ccncc3)C2)c1 ZINC000566306245 532603905 /nfs/dbraw/zinc/60/39/05/532603905.db2.gz JWURKEHWLFMJBZ-INIZCTEOSA-N 1 0 381.885 2.174 20 0 GEADRO CCOc1cc(C[NH2+]CCCN2CCCS2(=O)=O)ccc1OC(F)F ZINC000596676404 532603888 /nfs/dbraw/zinc/60/38/88/532603888.db2.gz BMUDRORSAKLNSN-UHFFFAOYSA-N 1 0 378.441 2.202 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000566313701 532603924 /nfs/dbraw/zinc/60/39/24/532603924.db2.gz MRUFITCXPWEMJU-NSHDSACASA-N 1 0 390.347 2.016 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC000655917564 532604040 /nfs/dbraw/zinc/60/40/40/532604040.db2.gz URPLHCVLVVDTRW-SNVBAGLBSA-N 1 0 377.754 2.121 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2=O)ccc1Br ZINC000262836574 532604189 /nfs/dbraw/zinc/60/41/89/532604189.db2.gz ILSWFTNCJXZXAW-MCIONIFRSA-N 1 0 394.313 2.367 20 0 GEADRO Cc1c(NC(=O)C[C@H]2CSCC[NH2+]2)cccc1S(=O)(=O)NC(C)(C)C ZINC000262840208 532604247 /nfs/dbraw/zinc/60/42/47/532604247.db2.gz XEWVUJXGDLGDLP-ZDUSSCGKSA-N 1 0 385.555 2.105 20 0 GEADRO CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H](CO)c1cccc(Br)c1 ZINC000655923182 532604307 /nfs/dbraw/zinc/60/43/07/532604307.db2.gz VQVHJXSIXJKADN-WDEREUQCSA-N 1 0 384.196 2.014 20 0 GEADRO C[C@@]1(Br)C[C@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000529489840 532604447 /nfs/dbraw/zinc/60/44/47/532604447.db2.gz IFHDJWQJNBXVMX-DOTOQJQBSA-N 1 0 381.314 2.303 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccncc1I ZINC000596826570 532604599 /nfs/dbraw/zinc/60/45/99/532604599.db2.gz SMHITTAWZJAMCL-SNVBAGLBSA-N 1 0 388.253 2.102 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000376249143 532604676 /nfs/dbraw/zinc/60/46/76/532604676.db2.gz VZXFSFPMNYSJFS-UHFFFAOYSA-N 1 0 387.933 2.166 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1nc(C)cs1 ZINC000284613306 532605941 /nfs/dbraw/zinc/60/59/41/532605941.db2.gz YDBJYLBXXAXHRZ-OLZOCXBDSA-N 1 0 380.539 2.499 20 0 GEADRO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000566337369 532606888 /nfs/dbraw/zinc/60/68/88/532606888.db2.gz DYSDOHPWHICDLL-OAHLLOKOSA-N 1 0 384.933 2.314 20 0 GEADRO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000566337356 532607043 /nfs/dbraw/zinc/60/70/43/532607043.db2.gz DYSDOHPWHICDLL-HNNXBMFYSA-N 1 0 384.933 2.314 20 0 GEADRO C[N@@H+]1CCCN(C(=O)NCCc2ccc(I)cc2)CC1 ZINC000596900713 532607646 /nfs/dbraw/zinc/60/76/46/532607646.db2.gz UXMWFWFAWKQTLG-UHFFFAOYSA-N 1 0 387.265 2.181 20 0 GEADRO CC1(C)CC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CCS1 ZINC000435052441 532607602 /nfs/dbraw/zinc/60/76/02/532607602.db2.gz UYDNHLJZVTUOBN-UHFFFAOYSA-N 1 0 384.567 2.425 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@]2(C)CCC[NH2+]C2)c(F)cc1F ZINC000435090845 532608363 /nfs/dbraw/zinc/60/83/63/532608363.db2.gz ZYAKURBUASTOJT-MRXNPFEDSA-N 1 0 375.441 2.445 20 0 GEADRO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1Br ZINC000284659805 532609560 /nfs/dbraw/zinc/60/95/60/532609560.db2.gz SZKYUCIKUGWMSB-VXGBXAGGSA-N 1 0 386.290 2.377 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)[NH+]1CCC(C)CC1 ZINC000284654404 532609767 /nfs/dbraw/zinc/60/97/67/532609767.db2.gz FMDBHTGSXPXSFK-JTQLQIEISA-N 1 0 378.420 2.337 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C1CCC(O)(c2cccc(Cl)c2)CC1 ZINC000376368794 532610424 /nfs/dbraw/zinc/61/04/24/532610424.db2.gz OLMJNGASMQHVFV-LXPRWKDFSA-N 1 0 386.945 2.484 20 0 GEADRO CCN1CCCN(S(=O)(=O)c2nc(C)c(Br)s2)[C@H](C)C1 ZINC000632449334 532610469 /nfs/dbraw/zinc/61/04/69/532610469.db2.gz AMXVGAKFQUYGKX-SECBINFHSA-N 1 0 382.349 2.319 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000656256578 532610474 /nfs/dbraw/zinc/61/04/74/532610474.db2.gz VYLHVOMLEUWNAY-AWEZNQCLSA-N 1 0 393.329 2.442 20 0 GEADRO O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)Nc1cccc(I)c1 ZINC000435235235 532610602 /nfs/dbraw/zinc/61/06/02/532610602.db2.gz LQTQDHIMNVHOAY-AWEZNQCLSA-N 1 0 385.249 2.056 20 0 GEADRO CCOc1c(Br)cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC ZINC000656273186 532610789 /nfs/dbraw/zinc/61/07/89/532610789.db2.gz XAHIMUVXLDLOOX-UONOGXRCSA-N 1 0 385.302 2.107 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000656264125 532610951 /nfs/dbraw/zinc/61/09/51/532610951.db2.gz UZIZSIYROZZSMU-RHSMWYFYSA-N 1 0 380.286 2.118 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435238996 532611147 /nfs/dbraw/zinc/61/11/47/532611147.db2.gz IHYDQUJRECWBEO-ZDUSSCGKSA-N 1 0 376.507 2.352 20 0 GEADRO O=C(Cn1cc(Br)cn1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474310544 532612193 /nfs/dbraw/zinc/61/21/93/532612193.db2.gz KQRLZBSHFHGFAM-WFASDCNBSA-N 1 0 399.239 2.186 20 0 GEADRO [NH3+][C@H]1C[C@@H]2CN(c3ccc4c(Cl)ccc(Br)c4n3)CCN2C1=O ZINC000566489162 532612610 /nfs/dbraw/zinc/61/26/10/532612610.db2.gz IVYXPJDRFGEMBD-RNCFNFMXSA-N 1 0 395.688 2.399 20 0 GEADRO C[NH+](C)C1CCN(CCNc2ncc3scc(Br)c3n2)CC1 ZINC000566485576 532612856 /nfs/dbraw/zinc/61/28/56/532612856.db2.gz NOLLFJYERXAECP-UHFFFAOYSA-N 1 0 384.347 2.892 20 0 GEADRO O=C(NCc1ccccc1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656290574 532612946 /nfs/dbraw/zinc/61/29/46/532612946.db2.gz BRGRUGHWAWGEDV-HZPDHXFCSA-N 1 0 394.313 2.198 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656289251 532613100 /nfs/dbraw/zinc/61/31/00/532613100.db2.gz PNDMKPGCJKJIPY-JKSUJKDBSA-N 1 0 394.313 2.198 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000566486166 532613085 /nfs/dbraw/zinc/61/30/85/532613085.db2.gz CDDFWOUHZVUBLJ-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)COCC1CC1 ZINC000474349425 532613389 /nfs/dbraw/zinc/61/33/89/532613389.db2.gz JZDLJYCMHFVCBP-QGZVFWFLSA-N 1 0 399.329 2.163 20 0 GEADRO CCSC1(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000597166458 532613387 /nfs/dbraw/zinc/61/33/87/532613387.db2.gz DPRLGTLRKAZKOG-AWEZNQCLSA-N 1 0 381.567 2.403 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000566501479 532613522 /nfs/dbraw/zinc/61/35/22/532613522.db2.gz ICYKRTQTBOGEJT-GHMZBOCLSA-N 1 0 381.267 2.145 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000474679321 532624459 /nfs/dbraw/zinc/62/44/59/532624459.db2.gz VVEFQRZBWQXAED-GHMZBOCLSA-N 1 0 376.320 2.244 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376670853 532625249 /nfs/dbraw/zinc/62/52/49/532625249.db2.gz IBAVALSRVMPBBB-GFCCVEGCSA-N 1 0 382.555 2.252 20 0 GEADRO CO[C@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000566733138 532625743 /nfs/dbraw/zinc/62/57/43/532625743.db2.gz YWNPLQJYKBEIGL-RYUDHWBXSA-N 1 0 391.693 2.446 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NCC3=CC[NH2+]CC3)nc12 ZINC000566727949 532626461 /nfs/dbraw/zinc/62/64/61/532626461.db2.gz ZEOYHTSPGPYRJF-UHFFFAOYSA-N 1 0 378.274 2.124 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCCCc3cc(Cl)ccc32)CC1 ZINC000632562760 532626545 /nfs/dbraw/zinc/62/65/45/532626545.db2.gz YLYMZMJQTZJZJP-UHFFFAOYSA-N 1 0 385.961 2.450 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)Cc2ncsc2Br)C1 ZINC000632594271 532627393 /nfs/dbraw/zinc/62/73/93/532627393.db2.gz NQIYKEWCNKUXKX-SNVBAGLBSA-N 1 0 382.349 2.057 20 0 GEADRO C[C@@H](CNC(=O)CCC(=O)c1ccc(I)cc1)[NH+](C)C ZINC000597801663 532627885 /nfs/dbraw/zinc/62/78/85/532627885.db2.gz SADAMNHIEKEJLO-NSHDSACASA-N 1 0 388.249 2.320 20 0 GEADRO CC(C)[NH+]1CCC(N(C)C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000298136833 532628174 /nfs/dbraw/zinc/62/81/74/532628174.db2.gz DYNMPOOAMBCQAQ-UHFFFAOYSA-N 1 0 386.290 2.103 20 0 GEADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1 ZINC000566851644 532628407 /nfs/dbraw/zinc/62/84/07/532628407.db2.gz PDCWTBZIUOAKIX-CQSZACIVSA-N 1 0 375.918 2.335 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000298120380 532628451 /nfs/dbraw/zinc/62/84/51/532628451.db2.gz AHBNBYABOOFZII-UHFFFAOYSA-N 1 0 396.340 2.118 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CCSC1 ZINC000436205092 532629883 /nfs/dbraw/zinc/62/98/83/532629883.db2.gz CWXVMYYECCYMSD-SNPRPXQTSA-N 1 0 383.480 2.207 20 0 GEADRO CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000298170985 532631504 /nfs/dbraw/zinc/63/15/04/532631504.db2.gz CHARJRWOCXHVJP-CYBMUJFWSA-N 1 0 387.933 2.369 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000474929546 532632224 /nfs/dbraw/zinc/63/22/24/532632224.db2.gz UIGNBOSBAQGHCP-CJNGLKHVSA-N 1 0 388.293 2.269 20 0 GEADRO Cc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)c2cc(Br)ccc2n1 ZINC000474990001 532635119 /nfs/dbraw/zinc/63/51/19/532635119.db2.gz XUHDZYGYKFDHOW-UHFFFAOYSA-N 1 0 392.297 2.492 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000376906495 532635328 /nfs/dbraw/zinc/63/53/28/532635328.db2.gz XZFQLVKADDLNRD-AGIUHOORSA-N 1 0 398.472 2.458 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000656873188 532636264 /nfs/dbraw/zinc/63/62/64/532636264.db2.gz GRJYUNYYHZGRTG-LLVKDONJSA-N 1 0 391.306 2.492 20 0 GEADRO [NH3+]C1(CNC(=O)NCCn2cc(Br)cn2)C2CC3CC(C2)CC1C3 ZINC000567031218 532637032 /nfs/dbraw/zinc/63/70/32/532637032.db2.gz PFEYZGNMYHSIDH-UHFFFAOYSA-N 1 0 396.333 2.098 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000263754708 532638788 /nfs/dbraw/zinc/63/87/88/532638788.db2.gz JJWPIRRVJQPJBK-KBPBESRZSA-N 1 0 375.560 2.042 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000263773838 532640862 /nfs/dbraw/zinc/64/08/62/532640862.db2.gz OALMXCSWXWOTFU-CABCVRRESA-N 1 0 380.286 2.439 20 0 GEADRO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cn1 ZINC000475239477 532641140 /nfs/dbraw/zinc/64/11/40/532641140.db2.gz GZTFKGPBTGEDAN-HIFRSBDPSA-N 1 0 399.333 2.297 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567161892 532643206 /nfs/dbraw/zinc/64/32/06/532643206.db2.gz ZDHCXKQUZJBMDO-AAEUAGOBSA-N 1 0 382.309 2.148 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000476426352 532643486 /nfs/dbraw/zinc/64/34/86/532643486.db2.gz VVMXDTGDCOGTEX-HNNXBMFYSA-N 1 0 390.933 2.470 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(Br)cc2O)CC1 ZINC000436730259 532643536 /nfs/dbraw/zinc/64/35/36/532643536.db2.gz KKYRBLLKSPHJAU-UHFFFAOYSA-N 1 0 399.285 2.160 20 0 GEADRO CN(C)c1ncc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)cn1 ZINC000263835243 532643590 /nfs/dbraw/zinc/64/35/90/532643590.db2.gz BWZPJOWTCGRQQF-UHFFFAOYSA-N 1 0 392.301 2.215 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000377150696 532645039 /nfs/dbraw/zinc/64/50/39/532645039.db2.gz BBNCQQPPMVUHEK-CYBMUJFWSA-N 1 0 398.301 2.185 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CCc2ccccc2Cl)CC1 ZINC000656917257 532645551 /nfs/dbraw/zinc/64/55/51/532645551.db2.gz HTKFRYUIGBMXFE-MRXNPFEDSA-N 1 0 387.977 2.076 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N2CCOc3c(Br)cccc3C2)cn1 ZINC000632803814 532645596 /nfs/dbraw/zinc/64/55/96/532645596.db2.gz JOEJWPWNEITUJE-UHFFFAOYSA-N 1 0 393.285 2.242 20 0 GEADRO C[NH+]1CCC(N2CC[C@@H](NCc3nc4ccccn4c3Br)C2)CC1 ZINC000377543113 532660214 /nfs/dbraw/zinc/66/02/14/532660214.db2.gz PLROWHWUXUXNID-CQSZACIVSA-N 1 0 392.345 2.355 20 0 GEADRO Clc1ccc(-n2cc(C[NH2+][C@H]3CCc4nnnn4CC3)nn2)cc1Cl ZINC000567722981 532660291 /nfs/dbraw/zinc/66/02/91/532660291.db2.gz OFKIRHYDJRXNAM-JTQLQIEISA-N 1 0 379.255 2.055 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000567732647 532660417 /nfs/dbraw/zinc/66/04/17/532660417.db2.gz KIAPXUKTZCUSHV-LLVKDONJSA-N 1 0 388.331 2.183 20 0 GEADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])s2)cs1 ZINC000567882190 532669169 /nfs/dbraw/zinc/66/91/69/532669169.db2.gz JZIIAPQZHBSBGI-MNOVXSKESA-N 1 0 380.539 2.081 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000633150565 532661374 /nfs/dbraw/zinc/66/13/74/532661374.db2.gz ZOZKOQDSGZRNMY-JOYOIKCWSA-N 1 0 388.693 2.009 20 0 GEADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(I)c[nH]3)sc2C1 ZINC000377578061 532662101 /nfs/dbraw/zinc/66/21/01/532662101.db2.gz BOEIXCPIFDBPEA-ZETCQYMHSA-N 1 0 388.234 2.144 20 0 GEADRO COCC[N@H+](C)CC[C@@H](NS(=O)(=O)c1cnc(C)s1)c1ccccc1 ZINC000533174405 532662600 /nfs/dbraw/zinc/66/26/00/532662600.db2.gz GWAZPPFUGJJJSP-MRXNPFEDSA-N 1 0 383.539 2.439 20 0 GEADRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000533176767 532663274 /nfs/dbraw/zinc/66/32/74/532663274.db2.gz XGROBYXSAJKDJE-UHFFFAOYSA-N 1 0 383.901 2.196 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1ccc2cncc(Br)c2n1 ZINC000633213840 532664071 /nfs/dbraw/zinc/66/40/71/532664071.db2.gz XNYLFOZAKAJPTG-UHFFFAOYSA-N 1 0 389.257 2.403 20 0 GEADRO CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526709 532664118 /nfs/dbraw/zinc/66/41/18/532664118.db2.gz PWFQLMKNNXKUCW-ZDUSSCGKSA-N 1 0 386.315 2.461 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)CSCC(=O)Nc2ccc(F)cc2)CCSC1 ZINC000480380375 532664462 /nfs/dbraw/zinc/66/44/62/532664462.db2.gz DLXTZFBKKCWYEG-QGZVFWFLSA-N 1 0 385.530 2.051 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000567798977 532664782 /nfs/dbraw/zinc/66/47/82/532664782.db2.gz VZMHSKPPTXOLCH-UHFFFAOYSA-N 1 0 376.404 2.077 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000377618000 532665281 /nfs/dbraw/zinc/66/52/81/532665281.db2.gz BNMUXQORXXCKDK-QAPCUYQASA-N 1 0 385.599 2.410 20 0 GEADRO CC1(C)OCC(CO)([NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)CO1 ZINC000298649109 532665430 /nfs/dbraw/zinc/66/54/30/532665430.db2.gz XIIJCXTWEHRJKO-UHFFFAOYSA-N 1 0 377.268 2.426 20 0 GEADRO CS[C@@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@H]1[NH+]1CCCC1 ZINC000437937079 532665598 /nfs/dbraw/zinc/66/55/98/532665598.db2.gz URDAYOYNGKZWAW-HZPDHXFCSA-N 1 0 383.539 2.134 20 0 GEADRO Cc1nc(CN2CCC(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)cs1 ZINC000481182850 532666673 /nfs/dbraw/zinc/66/66/73/532666673.db2.gz ASZDJYYTQBZSEC-GOSISDBHSA-N 1 0 382.599 2.217 20 0 GEADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000264195601 532667166 /nfs/dbraw/zinc/66/71/66/532667166.db2.gz HBGWMKDWLWPKAS-YSVLISHTSA-N 1 0 399.329 2.346 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(F)cc1Br ZINC000567861703 532667493 /nfs/dbraw/zinc/66/74/93/532667493.db2.gz PSSDBTCFBMGZNV-GWCFXTLKSA-N 1 0 377.279 2.269 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC12CCOCC2 ZINC000567862810 532667671 /nfs/dbraw/zinc/66/76/71/532667671.db2.gz VWICEDGVDIYMMO-MOKVOYLWSA-N 1 0 384.464 2.125 20 0 GEADRO O=C1C[C@@H]([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000567880915 532667997 /nfs/dbraw/zinc/66/79/97/532667997.db2.gz PLMDWQUKNCGZLA-DFBGVHRSSA-N 1 0 379.254 2.192 20 0 GEADRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000298690919 532668000 /nfs/dbraw/zinc/66/80/00/532668000.db2.gz SJRSKYVKLSAINK-UHFFFAOYSA-N 1 0 399.285 2.480 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[N@H+](CCSc2ccc(Cl)cc2)CC1 ZINC000377757244 532668120 /nfs/dbraw/zinc/66/81/20/532668120.db2.gz BOHAMWKEGKZUGB-UHFFFAOYSA-N 1 0 377.963 2.246 20 0 GEADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])s2)cs1 ZINC000567882189 532668169 /nfs/dbraw/zinc/66/81/69/532668169.db2.gz JZIIAPQZHBSBGI-GHMZBOCLSA-N 1 0 380.539 2.081 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567880738 532668235 /nfs/dbraw/zinc/66/82/35/532668235.db2.gz MKOHJSKDAVZIKH-SGMGOOAPSA-N 1 0 384.318 2.128 20 0 GEADRO COc1ccc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(Br)c1O ZINC000438336640 532669533 /nfs/dbraw/zinc/66/95/33/532669533.db2.gz BHPJTWISTYOYJP-LBPRGKRZSA-N 1 0 387.318 2.440 20 0 GEADRO CC[C@@H]([NH2+][C@H](C)CCS(C)(=O)=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481655315 532668668 /nfs/dbraw/zinc/66/86/68/532668668.db2.gz KEDIGRXPCKWLLL-BXUZGUMPSA-N 1 0 396.962 2.112 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377739272 532668684 /nfs/dbraw/zinc/66/86/84/532668684.db2.gz AEKZFGWCHPBMIU-LSDHHAIUSA-N 1 0 394.313 2.448 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N2CCOc3ccc(Br)cc3C2)cn1 ZINC000632917391 532649167 /nfs/dbraw/zinc/64/91/67/532649167.db2.gz ZPCFHEUQWWSWJP-UHFFFAOYSA-N 1 0 393.285 2.242 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000477372430 532649711 /nfs/dbraw/zinc/64/97/11/532649711.db2.gz KEGOESKMWFNXFC-ZDUSSCGKSA-N 1 0 397.313 2.314 20 0 GEADRO Cn1cc(NC(=O)NCc2cccc3c2CC[NH2+]C3)cc(Br)c1=O ZINC000632921174 532649828 /nfs/dbraw/zinc/64/98/28/532649828.db2.gz QXRYZLVMZZDNTB-UHFFFAOYSA-N 1 0 391.269 2.115 20 0 GEADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632937204 532651491 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C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@@H]1OCCc2sccc21 ZINC000298482186 532654202 /nfs/dbraw/zinc/65/42/02/532654202.db2.gz SZGRDVWUKITGKJ-WBMJQRKESA-N 1 0 389.539 2.097 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000632999781 532654436 /nfs/dbraw/zinc/65/44/36/532654436.db2.gz CHHCDRWKFCEMPA-VHSXEESVSA-N 1 0 378.420 2.253 20 0 GEADRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000633004842 532655184 /nfs/dbraw/zinc/65/51/84/532655184.db2.gz IPZVYTFIBWGWNE-GUBZILKMSA-N 1 0 378.420 2.381 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc([S@](C)=O)cc1 ZINC000477944175 532655333 /nfs/dbraw/zinc/65/53/33/532655333.db2.gz GMXAKDHGTRPFOX-SHACYNPGSA-N 1 0 381.519 2.041 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000567492070 532655530 /nfs/dbraw/zinc/65/55/30/532655530.db2.gz OJAMSCXNLRNXQE-UHFFFAOYSA-N 1 0 391.331 2.408 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1Br ZINC000633005383 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GEADRO Cc1c(Br)cncc1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638785407 532686663 /nfs/dbraw/zinc/68/66/63/532686663.db2.gz BSWKSOCQSYSCGF-AWEZNQCLSA-N 1 0 382.302 2.383 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000483231628 532674636 /nfs/dbraw/zinc/67/46/36/532674636.db2.gz OAQWNVBQHLJOHF-SMDDNHRTSA-N 1 0 381.325 2.288 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000285365805 532674736 /nfs/dbraw/zinc/67/47/36/532674736.db2.gz AOHFBUMUCMELKB-ZDUSSCGKSA-N 1 0 384.318 2.132 20 0 GEADRO COc1ncc(Br)cc1C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000660805233 532674867 /nfs/dbraw/zinc/67/48/67/532674867.db2.gz YPKLUQBQKXFTIV-GOSISDBHSA-N 1 0 390.281 2.482 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000264441913 532675470 /nfs/dbraw/zinc/67/54/70/532675470.db2.gz OEKFVICGSRUGMY-CQSZACIVSA-N 1 0 382.346 2.479 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC[C@H]1c1ccccc1Br ZINC000637028631 532676249 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C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[C@H]1O ZINC000438856644 532677754 /nfs/dbraw/zinc/67/77/54/532677754.db2.gz XZHXJXMBVUVNRY-DIOULYMOSA-N 1 0 376.266 2.421 20 0 GEADRO COC(=O)CC1([NH2+]CCCSCc2ccccc2)CCS(=O)(=O)CC1 ZINC000439258816 532686780 /nfs/dbraw/zinc/68/67/80/532686780.db2.gz LZPDIVZRQVPMLZ-UHFFFAOYSA-N 1 0 385.551 2.410 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264623391 532678018 /nfs/dbraw/zinc/67/80/18/532678018.db2.gz RZRKTJMPIRUDRU-CQSZACIVSA-N 1 0 386.901 2.376 20 0 GEADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[C@@H]1O ZINC000438856646 532678454 /nfs/dbraw/zinc/67/84/54/532678454.db2.gz XZHXJXMBVUVNRY-PJODQICGSA-N 1 0 376.266 2.421 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000285426994 532678554 /nfs/dbraw/zinc/67/85/54/532678554.db2.gz WFSJRGZNDDKEMW-WCQYABFASA-N 1 0 375.416 2.242 20 0 GEADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264624083 532678648 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/nfs/dbraw/zinc/70/29/10/532702910.db2.gz IPHCXPVCHLTKFE-SMDDNHRTSA-N 1 0 385.249 2.385 20 0 GEADRO [NH3+]CCOCc1cn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000640760239 532697083 /nfs/dbraw/zinc/69/70/83/532697083.db2.gz DRINWMQVTOFPOH-UHFFFAOYSA-N 1 0 377.754 2.064 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000439615211 532698731 /nfs/dbraw/zinc/69/87/31/532698731.db2.gz FESBNFCJSAPHRJ-ZDUSSCGKSA-N 1 0 380.645 2.430 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000569558516 532699149 /nfs/dbraw/zinc/69/91/49/532699149.db2.gz QYXZGYZVZJAGBA-LLVKDONJSA-N 1 0 384.274 2.019 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cn4cc(Br)ccc4n3)C2)C1 ZINC000488018435 532699194 /nfs/dbraw/zinc/69/91/94/532699194.db2.gz RXXVEQOUJGGKJM-QGZVFWFLSA-N 1 0 392.301 2.334 20 0 GEADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000603723975 532699252 /nfs/dbraw/zinc/69/92/52/532699252.db2.gz RBZGFEBEUVFBGE-AWEZNQCLSA-N 1 0 375.270 2.312 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000640870498 532699763 /nfs/dbraw/zinc/69/97/63/532699763.db2.gz ZVXCRQSETQJYQQ-JFOHDYCDSA-N 1 0 397.313 2.320 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(F)ccc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439596276 532699991 /nfs/dbraw/zinc/69/99/91/532699991.db2.gz LRNMBJVULHUNQG-LBPRGKRZSA-N 1 0 384.249 2.222 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000666690293 532700815 /nfs/dbraw/zinc/70/08/15/532700815.db2.gz HJZAMWGDMOMKTP-LBPRGKRZSA-N 1 0 383.290 2.240 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382532905 532701306 /nfs/dbraw/zinc/70/13/06/532701306.db2.gz WMYMPBRQQKRVRY-JQWIXIFHSA-N 1 0 377.304 2.254 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[C@H](CO)[C@@H](O)C1 ZINC000569664560 532701806 /nfs/dbraw/zinc/70/18/06/532701806.db2.gz FHWVAAQFSDNJJI-RULNRJAQSA-N 1 0 380.794 2.361 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cn2ccc(Br)cc2n1 ZINC000285728371 532702208 /nfs/dbraw/zinc/70/22/08/532702208.db2.gz JZSLXFOTXRUUOM-CQSZACIVSA-N 1 0 395.301 2.064 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CC1 ZINC000666809502 532703139 /nfs/dbraw/zinc/70/31/39/532703139.db2.gz GEFZBECRLGGTKF-OAGGEKHMSA-N 1 0 382.302 2.378 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cn(C)cc(Br)c2=O)C[C@@H]1C ZINC000666693139 532702584 /nfs/dbraw/zinc/70/25/84/532702584.db2.gz KIWYGMYPHCCIDQ-RYUDHWBXSA-N 1 0 385.306 2.484 20 0 GEADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000285513563 532687196 /nfs/dbraw/zinc/68/71/96/532687196.db2.gz GCMWNHBWPOUTRS-UHFFFAOYSA-N 1 0 390.933 2.088 20 0 GEADRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638788649 532687300 /nfs/dbraw/zinc/68/73/00/532687300.db2.gz OBPORXUDQQHOBZ-ZDUSSCGKSA-N 1 0 380.539 2.106 20 0 GEADRO O=C(COc1cccc(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638775715 532687425 /nfs/dbraw/zinc/68/74/25/532687425.db2.gz JBXSEHNBSILOLB-QGZVFWFLSA-N 1 0 397.313 2.445 20 0 GEADRO Cc1cc(N2CCC([NH2+]Cc3cnn4cc(Br)cnc34)CC2)n[nH]1 ZINC000639086999 532688243 /nfs/dbraw/zinc/68/82/43/532688243.db2.gz CFPOOIVRWPXYRZ-UHFFFAOYSA-N 1 0 390.289 2.282 20 0 GEADRO COC(=O)CC1([NH2+]Cc2cccc(Br)c2)CCS(=O)(=O)CC1 ZINC000439280109 532688347 /nfs/dbraw/zinc/68/83/47/532688347.db2.gz RWLQJPZOMBHQQG-UHFFFAOYSA-N 1 0 390.299 2.049 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000298980922 532688953 /nfs/dbraw/zinc/68/89/53/532688953.db2.gz GENOUXIAMKGOJQ-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000439339914 532689666 /nfs/dbraw/zinc/68/96/66/532689666.db2.gz AIQRYULYKWOKDG-SNVBAGLBSA-N 1 0 375.803 2.433 20 0 GEADRO COc1nsc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1Br ZINC000639087017 532689689 /nfs/dbraw/zinc/68/96/89/532689689.db2.gz VYBFNXCIYOHYRO-JTQLQIEISA-N 1 0 378.336 2.191 20 0 GEADRO OCC1([C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C2CC2)CCOCC1 ZINC000639209906 532690391 /nfs/dbraw/zinc/69/03/91/532690391.db2.gz AUIYNFRBUDNZKG-HNNXBMFYSA-N 1 0 395.301 2.149 20 0 GEADRO CC[C@H](C)[NH+]1CCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000639236060 532690424 /nfs/dbraw/zinc/69/04/24/532690424.db2.gz XCMWGMONKXLCDI-LBPRGKRZSA-N 1 0 390.347 2.013 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000439353841 532690480 /nfs/dbraw/zinc/69/04/80/532690480.db2.gz HGRXAJRNSJDGDA-SECBINFHSA-N 1 0 390.228 2.218 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)[C@H]1n1cccn1 ZINC000639213677 532691062 /nfs/dbraw/zinc/69/10/62/532691062.db2.gz OKBYDCQNGAMRKV-RRFJBIMHSA-N 1 0 391.273 2.197 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000569687644 532703515 /nfs/dbraw/zinc/70/35/15/532703515.db2.gz ZUBUGNMCTSVJPG-YMAMQOFZSA-N 1 0 375.918 2.273 20 0 GEADRO CN(C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1)S(C)(=O)=O ZINC000285740227 532704265 /nfs/dbraw/zinc/70/42/65/532704265.db2.gz VWWCKVWTFLFZPQ-CQSZACIVSA-N 1 0 387.933 2.272 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C[C@H]1[NH3+] ZINC000666869550 532704507 /nfs/dbraw/zinc/70/45/07/532704507.db2.gz XXGQBWMXFKJHJL-WCQYABFASA-N 1 0 383.290 2.097 20 0 GEADRO CCOC(=O)c1cc(C)sc1NC(=O)CN1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000537274584 532705084 /nfs/dbraw/zinc/70/50/84/532705084.db2.gz AIASZVTYANGHBC-KGLIPLIRSA-N 1 0 385.555 2.149 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000387710007 532705047 /nfs/dbraw/zinc/70/50/47/532705047.db2.gz KWZOLRXOUMIZEL-AWEZNQCLSA-N 1 0 389.315 2.286 20 0 GEADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCCOc1ccc(I)cc1 ZINC000572645005 532708170 /nfs/dbraw/zinc/70/81/70/532708170.db2.gz UAHNXMGJBDGRJT-GWCFXTLKSA-N 1 0 376.238 2.160 20 0 GEADRO C[C@H]1CN(C)CCN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000440267138 532708574 /nfs/dbraw/zinc/70/85/74/532708574.db2.gz FSZDPOSDTCGTKA-JTQLQIEISA-N 1 0 375.416 2.284 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000394085101 532709615 /nfs/dbraw/zinc/70/96/15/532709615.db2.gz QAFAGCGRDQIXGV-JTQLQIEISA-N 1 0 380.208 2.101 20 0 GEADRO O=S(=O)(N[C@@H]1CC[NH2+]C1)c1csc(-c2cccc(Br)c2)n1 ZINC000440354066 532710135 /nfs/dbraw/zinc/71/01/35/532710135.db2.gz ZHIBGHRESDUJMT-LLVKDONJSA-N 1 0 388.312 2.213 20 0 GEADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)C1 ZINC000440354372 532710326 /nfs/dbraw/zinc/71/03/26/532710326.db2.gz ZVBRXQZIQLGCQD-GFCCVEGCSA-N 1 0 384.395 2.086 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cscn1 ZINC000668370811 532710483 /nfs/dbraw/zinc/71/04/83/532710483.db2.gz CNXQRXPDXACCQW-OCCSQVGLSA-N 1 0 378.523 2.335 20 0 GEADRO [NH3+][C@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)C1CCC1 ZINC000573253816 532710696 /nfs/dbraw/zinc/71/06/96/532710696.db2.gz GELKZQWKSBIGMX-INIZCTEOSA-N 1 0 382.302 2.029 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2nn(C(C)(C)C)cc2Br)C1 ZINC000668372936 532710830 /nfs/dbraw/zinc/71/08/30/532710830.db2.gz UYLVVHLQPTWVCT-GFCCVEGCSA-N 1 0 387.322 2.241 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000538428751 532711288 /nfs/dbraw/zinc/71/12/88/532711288.db2.gz LFJIMQJJECNJEG-INIZCTEOSA-N 1 0 381.885 2.020 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)C1 ZINC000608047873 532711282 /nfs/dbraw/zinc/71/12/82/532711282.db2.gz FCOLGSIVVBJYPD-DZGCQCFKSA-N 1 0 387.571 2.298 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1Cl ZINC000440410641 532713257 /nfs/dbraw/zinc/71/32/57/532713257.db2.gz QRNAFFPVBMMPMI-LKFCYVNXSA-N 1 0 377.869 2.185 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)[C@@]12CCCO2 ZINC000574386069 532713340 /nfs/dbraw/zinc/71/33/40/532713340.db2.gz DXNXICIJURLAMC-JWDQPFGJSA-N 1 0 385.302 2.316 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3ccc(I)cc32)CC[N@@H+]1C ZINC000408243888 532713791 /nfs/dbraw/zinc/71/37/91/532713791.db2.gz LCODZNCOBQOGHJ-MWLCHTKSSA-N 1 0 398.248 2.380 20 0 GEADRO C[C@H](C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)CS(C)(=O)=O ZINC000494219801 532714206 /nfs/dbraw/zinc/71/42/06/532714206.db2.gz LYTKBNNENCOCHW-OOVXXXAESA-N 1 0 376.881 2.021 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000266341462 532714545 /nfs/dbraw/zinc/71/45/45/532714545.db2.gz BOLYFVNCJOTAQT-UHFFFAOYSA-N 1 0 378.217 2.306 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])ccc1Br ZINC000440448469 532714562 /nfs/dbraw/zinc/71/45/62/532714562.db2.gz XFQMUQARAYOBOA-GXFFZTMASA-N 1 0 377.304 2.206 20 0 GEADRO COC(=O)CCNC(=O)C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440523563 532715626 /nfs/dbraw/zinc/71/56/26/532715626.db2.gz AMGZUJNOGTYKFI-UHFFFAOYSA-N 1 0 397.313 2.482 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000299428550 532715937 /nfs/dbraw/zinc/71/59/37/532715937.db2.gz VAYKBYICWAISAO-KGLIPLIRSA-N 1 0 384.318 2.165 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C1 ZINC000266383980 532717101 /nfs/dbraw/zinc/71/71/01/532717101.db2.gz IQWBJAVHCMOORO-WFASDCNBSA-N 1 0 379.448 2.392 20 0 GEADRO CN(C(=O)C(=O)NCCc1ccc(Cl)cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000670494313 532717401 /nfs/dbraw/zinc/71/74/01/532717401.db2.gz NEAOZQSOJPPHCL-OAHLLOKOSA-N 1 0 384.307 2.347 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000670494356 532717532 /nfs/dbraw/zinc/71/75/32/532717532.db2.gz REVCNTFESVPPNG-UHFFFAOYSA-N 1 0 384.307 2.395 20 0 GEADRO C[C@H](NC(=O)C(=O)NCc1ccsc1Br)C(C)(C)C[NH+](C)C ZINC000497344573 532721776 /nfs/dbraw/zinc/72/17/76/532721776.db2.gz KBXNVMFHMHEUGC-JTQLQIEISA-N 1 0 390.347 2.219 20 0 GEADRO CC[N@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H](C)C(C)C ZINC000440700022 532722617 /nfs/dbraw/zinc/72/26/17/532722617.db2.gz VPTGLXXDVFLDGP-OAHLLOKOSA-N 1 0 390.571 2.077 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000299517116 532722832 /nfs/dbraw/zinc/72/28/32/532722832.db2.gz GZIAKIIGVWJAAE-SWLSCSKDSA-N 1 0 382.302 2.120 20 0 GEADRO Cn1nccc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000299519671 532723297 /nfs/dbraw/zinc/72/32/97/532723297.db2.gz OJNBMOCMURNUCJ-UHFFFAOYSA-N 1 0 378.274 2.187 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC000440857933 532723386 /nfs/dbraw/zinc/72/33/86/532723386.db2.gz KCRVSFDHUHPSIW-AWEZNQCLSA-N 1 0 377.304 2.126 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC000440857935 532723526 /nfs/dbraw/zinc/72/35/26/532723526.db2.gz KCRVSFDHUHPSIW-CQSZACIVSA-N 1 0 377.304 2.126 20 0 GEADRO C[NH+]1CCC2(CC1)CN(Cc1cc3c(c(Br)c1)OCO3)CCO2 ZINC000646104596 532723702 /nfs/dbraw/zinc/72/37/02/532723702.db2.gz RUFQTTJHBJPPIM-UHFFFAOYSA-N 1 0 383.286 2.474 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2c(C)cc(Br)cc2C)[C@H](C[NH3+])C1 ZINC000440855097 532723890 /nfs/dbraw/zinc/72/38/90/532723890.db2.gz MTWLKDXOKZGJQK-KBPBESRZSA-N 1 0 391.331 2.193 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612984001 532724505 /nfs/dbraw/zinc/72/45/05/532724505.db2.gz REHSLUYRGMVQKK-ZIAGYGMSSA-N 1 0 386.265 2.063 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(OC)cc1Br ZINC000440865451 532724588 /nfs/dbraw/zinc/72/45/88/532724588.db2.gz UGPXEPFIDJKJLO-VHSXEESVSA-N 1 0 393.303 2.015 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(OC)cc1Br ZINC000440865450 532724755 /nfs/dbraw/zinc/72/47/55/532724755.db2.gz UGPXEPFIDJKJLO-UWVGGRQHSA-N 1 0 393.303 2.015 20 0 GEADRO Cc1nc(-c2ccc([C@H](C)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc2)cs1 ZINC000497792389 532725456 /nfs/dbraw/zinc/72/54/56/532725456.db2.gz UQOVVOSXGYBFDQ-XHDPSFHLSA-N 1 0 381.523 2.058 20 0 GEADRO CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000299543430 532725886 /nfs/dbraw/zinc/72/58/86/532725886.db2.gz SXJZYAXPCSMHNY-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000441781753 532725923 /nfs/dbraw/zinc/72/59/23/532725923.db2.gz WQMCSJDZUZFMGQ-VXGBXAGGSA-N 1 0 384.249 2.270 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000576170133 532726150 /nfs/dbraw/zinc/72/61/50/532726150.db2.gz AVQQKHLXEQYTEW-CYBMUJFWSA-N 1 0 387.933 2.372 20 0 GEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cc1cccc(Br)c1 ZINC000299569597 532727095 /nfs/dbraw/zinc/72/70/95/532727095.db2.gz BZLQLRVFBYZUBD-UHFFFAOYSA-N 1 0 382.346 2.476 20 0 GEADRO C[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000539302526 532728312 /nfs/dbraw/zinc/72/83/12/532728312.db2.gz ATBAFTGEBWZIIK-OYLFLEFRSA-N 1 0 380.535 2.395 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cc(Br)ccc1C ZINC000672691370 532728340 /nfs/dbraw/zinc/72/83/40/532728340.db2.gz SVYBPWYCHWGLHG-MRXNPFEDSA-N 1 0 396.329 2.364 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C1CC1 ZINC000539273248 532728442 /nfs/dbraw/zinc/72/84/42/532728442.db2.gz GMBGSBNQXVDQNQ-GFCCVEGCSA-N 1 0 390.228 2.122 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000672698489 532728947 /nfs/dbraw/zinc/72/89/47/532728947.db2.gz QZQCPNOJASUBFO-TZMCWYRMSA-N 1 0 397.317 2.012 20 0 GEADRO Nc1ncc(Br)cc1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000672683830 532728970 /nfs/dbraw/zinc/72/89/70/532728970.db2.gz JPPYSNDZDJAPMG-UHFFFAOYSA-N 1 0 388.229 2.329 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000539415927 532729101 /nfs/dbraw/zinc/72/91/01/532729101.db2.gz IKWXCKUPMBTURS-MRXNPFEDSA-N 1 0 396.329 2.464 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000672698488 532729265 /nfs/dbraw/zinc/72/92/65/532729265.db2.gz QZQCPNOJASUBFO-OCCSQVGLSA-N 1 0 397.317 2.012 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000442563715 532731193 /nfs/dbraw/zinc/73/11/93/532731193.db2.gz BVDJJRJIIHZBSZ-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000577064367 532731972 /nfs/dbraw/zinc/73/19/72/532731972.db2.gz ZYLXXBNVFJSBFP-CQSZACIVSA-N 1 0 380.491 2.090 20 0 GEADRO COc1cc(Br)ccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000299638260 532732256 /nfs/dbraw/zinc/73/22/56/532732256.db2.gz PKEVORNLLMOYDP-UHFFFAOYSA-N 1 0 396.329 2.311 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000299481447 532719780 /nfs/dbraw/zinc/71/97/80/532719780.db2.gz FSOURFGIMDDTLP-UHFFFAOYSA-N 1 0 399.285 2.015 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)s1 ZINC000267496012 532742598 /nfs/dbraw/zinc/74/25/98/532742598.db2.gz LHGFVKRXMRTCAB-UHFFFAOYSA-N 1 0 387.571 2.269 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)sc1C(F)(F)F ZINC000579901085 532744253 /nfs/dbraw/zinc/74/42/53/532744253.db2.gz QBQCBBLJOJJULP-UHFFFAOYSA-N 1 0 378.420 2.398 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)CCO2 ZINC000579915023 532744622 /nfs/dbraw/zinc/74/46/22/532744622.db2.gz UUQVXWPWBDVQEY-HUUCEWRRSA-N 1 0 392.290 2.414 20 0 GEADRO C[C@H](CNC(=O)CCc1cc(Br)cs1)C[NH+]1CCN(C)CC1 ZINC000503230819 532744751 /nfs/dbraw/zinc/74/47/51/532744751.db2.gz KDSZSKWASIYYOR-CYBMUJFWSA-N 1 0 388.375 2.443 20 0 GEADRO NS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000301211963 532744776 /nfs/dbraw/zinc/74/47/76/532744776.db2.gz XKKYRXICOCDGPI-GFCCVEGCSA-N 1 0 377.432 2.417 20 0 GEADRO CC(C)OCC[NH+]1CCC(Nc2ncnc3c2c(Br)nn3C)CC1 ZINC000267040147 532733195 /nfs/dbraw/zinc/73/31/95/532733195.db2.gz MCVOSACMKBVCGZ-UHFFFAOYSA-N 1 0 397.321 2.427 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000410119068 532733679 /nfs/dbraw/zinc/73/36/79/532733679.db2.gz QBXZLTRTYVSECZ-NSHDSACASA-N 1 0 391.331 2.360 20 0 GEADRO CN1CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000539808817 532733848 /nfs/dbraw/zinc/73/38/48/532733848.db2.gz XZEOQXITMXVFPF-GXTWGEPZSA-N 1 0 395.301 2.115 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)NCCOc2ccc(Br)cc2)cn1 ZINC000673866931 532733995 /nfs/dbraw/zinc/73/39/95/532733995.db2.gz GIMKIAAXKHTFOM-UHFFFAOYSA-N 1 0 396.289 2.408 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)NC[C@H](O)c2c(F)cccc2Cl)CCSC1 ZINC000267138002 532734064 /nfs/dbraw/zinc/73/40/64/532734064.db2.gz DVOQVLIJDIMFCM-BBRMVZONSA-N 1 0 375.897 2.249 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2ccccc2I)CCSC1 ZINC000267158186 532735500 /nfs/dbraw/zinc/73/55/00/532735500.db2.gz YJWBPBUTXOKROF-CQSZACIVSA-N 1 0 390.290 2.458 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000410151812 532735758 /nfs/dbraw/zinc/73/57/58/532735758.db2.gz TXUVCCWCBOHPJU-ZDUSSCGKSA-N 1 0 391.331 2.314 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)[C@H]1CCCN(C)C1 ZINC000578494094 532735998 /nfs/dbraw/zinc/73/59/98/532735998.db2.gz CPZUNQSOUXHXAY-LBPRGKRZSA-N 1 0 389.905 2.022 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000540372855 532737267 /nfs/dbraw/zinc/73/72/67/532737267.db2.gz VSEULDNEPOICNN-QMMMGPOBSA-N 1 0 388.212 2.019 20 0 GEADRO O=C(CC[NH2+]CC1(N2CCOCC2)CC1)Nc1cccc(Br)c1 ZINC000578500096 532737825 /nfs/dbraw/zinc/73/78/25/532737825.db2.gz LYMFTVZWYCRKCV-UHFFFAOYSA-N 1 0 382.302 2.232 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000614515066 532738381 /nfs/dbraw/zinc/73/83/81/532738381.db2.gz SPCAUCSIUQPZEW-YESZJQIVSA-N 1 0 378.314 2.059 20 0 GEADRO COc1ccc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)cc1Br ZINC000501152456 532738414 /nfs/dbraw/zinc/73/84/14/532738414.db2.gz YARMALJUFPNBTB-UHFFFAOYSA-N 1 0 399.329 2.117 20 0 GEADRO C[C@@H](CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000614508777 532738541 /nfs/dbraw/zinc/73/85/41/532738541.db2.gz YIHLOVCVULJMSO-WMLDXEAASA-N 1 0 380.330 2.449 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)c(F)c1 ZINC000300404626 532738671 /nfs/dbraw/zinc/73/86/71/532738671.db2.gz OPQRMPHREXFJAG-UONOGXRCSA-N 1 0 377.279 2.493 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)cc2cccnc21 ZINC000614503541 532739509 /nfs/dbraw/zinc/73/95/09/532739509.db2.gz PZVMJZBXAUDCAW-OAHLLOKOSA-N 1 0 389.297 2.117 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000501243111 532739654 /nfs/dbraw/zinc/73/96/54/532739654.db2.gz SKWVYTGQWMXZOC-NSHDSACASA-N 1 0 390.347 2.429 20 0 GEADRO CN(C(=O)CNC(=O)c1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286335330 532740241 /nfs/dbraw/zinc/74/02/41/532740241.db2.gz VPXXNWJKKZIXRL-XYPWUTKMSA-N 1 0 394.313 2.263 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1cc(CS(C)(=O)=O)ccc1OC ZINC000286343485 532741505 /nfs/dbraw/zinc/74/15/05/532741505.db2.gz KLVPLDHLZXQQJA-UHFFFAOYSA-N 1 0 388.555 2.253 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000301567652 532754381 /nfs/dbraw/zinc/75/43/81/532754381.db2.gz ZNUGGIMKLYFHFV-UHFFFAOYSA-N 1 0 384.267 2.254 20 0 GEADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000581351952 532754690 /nfs/dbraw/zinc/75/46/90/532754690.db2.gz NXWJDCYDNPBRKG-KGLIPLIRSA-N 1 0 394.269 2.278 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000541668470 532757092 /nfs/dbraw/zinc/75/70/92/532757092.db2.gz RHPGXZFRAAHTKJ-UHFFFAOYSA-N 1 0 376.284 2.407 20 0 GEADRO O=C(c1c(F)cc(Br)cc1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620481321 532763315 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CC[NH+](CC)CC[C@@H](CO)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000583033369 532762583 /nfs/dbraw/zinc/76/25/83/532762583.db2.gz GRFHLXJSGJIOMG-NSHDSACASA-N 1 0 384.830 2.073 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480405 532762882 /nfs/dbraw/zinc/76/28/82/532762882.db2.gz CHSJJGAEXNOYEY-AWEZNQCLSA-N 1 0 385.277 2.188 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000580500951 532749088 /nfs/dbraw/zinc/74/90/88/532749088.db2.gz FZNTVAXHZJDACX-UHFFFAOYSA-N 1 0 389.237 2.449 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000580512530 532749224 /nfs/dbraw/zinc/74/92/24/532749224.db2.gz XXKBSXALYCPXHX-LLVKDONJSA-N 1 0 386.265 2.373 20 0 GEADRO COC(=O)c1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c[nH]1 ZINC000267831555 532750156 /nfs/dbraw/zinc/75/01/56/532750156.db2.gz WKGRVAARDAYERV-UHFFFAOYSA-N 1 0 380.242 2.083 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000286483048 532751320 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CCN1CCN(C(=O)[C@H](C)[N@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000303339847 532776313 /nfs/dbraw/zinc/77/63/13/532776313.db2.gz VWJOJZRPELDWSU-HNNXBMFYSA-N 1 0 382.346 2.476 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000269164321 532776345 /nfs/dbraw/zinc/77/63/45/532776345.db2.gz CKFMJHMOEYUMRT-LBPRGKRZSA-N 1 0 387.933 2.146 20 0 GEADRO CC(C)(CN1CCOCC1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000308640129 532777007 /nfs/dbraw/zinc/77/70/07/532777007.db2.gz PPQCXCUKIDGDSD-UHFFFAOYSA-N 1 0 385.302 2.421 20 0 GEADRO Cc1nc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000311195978 532777160 /nfs/dbraw/zinc/77/71/60/532777160.db2.gz IBJWOWNHKBMDEE-OAHLLOKOSA-N 1 0 380.539 2.423 20 0 GEADRO CC[C@@H](CSC)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000286999272 532777954 /nfs/dbraw/zinc/77/79/54/532777954.db2.gz IOOVIBLTPYVLHU-GJZGRUSLSA-N 1 0 383.583 2.334 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000542742884 532777978 /nfs/dbraw/zinc/77/79/78/532777978.db2.gz OXEKYVLRGQXOAO-UHFFFAOYSA-N 1 0 388.306 2.312 20 0 GEADRO CCN(CC[NH3+])S(=O)(=O)c1cc(Br)ccc1Br ZINC000310060559 532778041 /nfs/dbraw/zinc/77/80/41/532778041.db2.gz NRWZTEPPQHJJSD-UHFFFAOYSA-N 1 0 386.109 2.181 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)CCO1 ZINC000512884363 532778591 /nfs/dbraw/zinc/77/85/91/532778591.db2.gz DJKGJAMKECNBCX-OLZOCXBDSA-N 1 0 391.331 2.275 20 0 GEADRO Cc1ncc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Br)cn1 ZINC000512874008 532779108 /nfs/dbraw/zinc/77/91/08/532779108.db2.gz IWNBTQAERUDKKQ-UHFFFAOYSA-N 1 0 399.314 2.006 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000512893201 532779118 /nfs/dbraw/zinc/77/91/18/532779118.db2.gz BFABFONGSMIJEF-GOEBONIOSA-N 1 0 380.539 2.403 20 0 GEADRO COC(=O)[C@@H]1CN(Cc2nc3ccc(Br)cc3o2)CC[N@H+](C)C1 ZINC000411917531 532779443 /nfs/dbraw/zinc/77/94/43/532779443.db2.gz NPCFOMSTTSJLJB-NSHDSACASA-N 1 0 382.258 2.127 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000411509283 532763571 /nfs/dbraw/zinc/76/35/71/532763571.db2.gz UIMRFPLWPBYOMV-KRWDZBQOSA-N 1 0 398.345 2.061 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)s1 ZINC000583082310 532763635 /nfs/dbraw/zinc/76/36/35/532763635.db2.gz QEASMAYQKZYEMY-AWEZNQCLSA-N 1 0 389.587 2.419 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)COC(F)F)CC1 ZINC000508693533 532763797 /nfs/dbraw/zinc/76/37/97/532763797.db2.gz JXQMIRBKZAWNFF-UHFFFAOYSA-N 1 0 378.217 2.379 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@H]1C ZINC000542082937 532763892 /nfs/dbraw/zinc/76/38/92/532763892.db2.gz ILFCLCBRZSYQAU-MNOVXSKESA-N 1 0 396.285 2.335 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000583073535 532764613 /nfs/dbraw/zinc/76/46/13/532764613.db2.gz OKMRWFCYEXDZRO-WCQYABFASA-N 1 0 386.315 2.274 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000268468989 532764875 /nfs/dbraw/zinc/76/48/75/532764875.db2.gz PUYUNQPYYDJJPN-HOTGVXAUSA-N 1 0 397.361 2.315 20 0 GEADRO CC1(c2cccc(Br)c2)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000509057439 532765844 /nfs/dbraw/zinc/76/58/44/532765844.db2.gz SAFBBIPQAGAGHE-UHFFFAOYSA-N 1 0 380.286 2.354 20 0 GEADRO C[C@H](CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)C[NH+](C)C ZINC000411555257 532766334 /nfs/dbraw/zinc/76/63/34/532766334.db2.gz VKUZVNGRCZPHJI-ZWNOBZJWSA-N 1 0 379.810 2.374 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)[C@@H](C)C1 ZINC000411572535 532767597 /nfs/dbraw/zinc/76/75/97/532767597.db2.gz RBZGIVAYVVLMPD-STQMWFEESA-N 1 0 380.539 2.197 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000313419295 532779700 /nfs/dbraw/zinc/77/97/00/532779700.db2.gz BIAWWUOUDWVISC-ZDUSSCGKSA-N 1 0 379.320 2.500 20 0 GEADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cc1O ZINC000509399484 532768532 /nfs/dbraw/zinc/76/85/32/532768532.db2.gz HPDJWBQYEMTTHP-UHFFFAOYSA-N 1 0 388.848 2.261 20 0 GEADRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000451630749 532769028 /nfs/dbraw/zinc/76/90/28/532769028.db2.gz GNKMHQZTKVZYBO-HZPDHXFCSA-N 1 0 385.302 2.443 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1ccccc1I ZINC000509432940 532769278 /nfs/dbraw/zinc/76/92/78/532769278.db2.gz BJPZERKQJBFXDV-VXGBXAGGSA-N 1 0 387.265 2.254 20 0 GEADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000509419071 532769621 /nfs/dbraw/zinc/76/96/21/532769621.db2.gz UONHNBUWXDTKSM-GFCCVEGCSA-N 1 0 383.286 2.390 20 0 GEADRO O[C@@H]1C[NH+](CCCOc2c(Br)cccc2Br)C[C@H]1O ZINC000411639733 532770707 /nfs/dbraw/zinc/77/07/07/532770707.db2.gz USECMJOWXIAXPB-VXGBXAGGSA-N 1 0 395.091 2.018 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268814041 532771547 /nfs/dbraw/zinc/77/15/47/532771547.db2.gz LWJWMMYYUSZRHG-LBPRGKRZSA-N 1 0 398.497 2.005 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000588935354 532771775 /nfs/dbraw/zinc/77/17/75/532771775.db2.gz FQIPTXHVZNRNIT-KBRIMQKVSA-N 1 0 380.330 2.305 20 0 GEADRO COCC[N@H+](C)CCNC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000588932900 532771864 /nfs/dbraw/zinc/77/18/64/532771864.db2.gz RZLIDUWDPOILDG-UHFFFAOYSA-N 1 0 382.302 2.407 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCCOCC[NH+](C)C ZINC000542462529 532771982 /nfs/dbraw/zinc/77/19/82/532771982.db2.gz KDYSISVDQBIROW-UHFFFAOYSA-N 1 0 395.301 2.251 20 0 GEADRO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000286856491 532772148 /nfs/dbraw/zinc/77/21/48/532772148.db2.gz AUPQOWVOOGMJHN-AWEZNQCLSA-N 1 0 384.929 2.359 20 0 GEADRO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000588935355 532772284 /nfs/dbraw/zinc/77/22/84/532772284.db2.gz FQIPTXHVZNRNIT-XYPHTWIQSA-N 1 0 380.330 2.305 20 0 GEADRO CCN(CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)S(C)(=O)=O ZINC000268827119 532772618 /nfs/dbraw/zinc/77/26/18/532772618.db2.gz ZFRPRLBYXKNZPU-GFCCVEGCSA-N 1 0 398.497 2.005 20 0 GEADRO CSCC[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(=O)N(C)C ZINC000588932702 532772713 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GEADRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(Br)cc1OCCCO ZINC000411748164 532773904 /nfs/dbraw/zinc/77/39/04/532773904.db2.gz ZSONJSCCVZOXTN-NWDGAFQWSA-N 1 0 394.331 2.294 20 0 GEADRO C[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000542523968 532774118 /nfs/dbraw/zinc/77/41/18/532774118.db2.gz DUBCVGJVZCCJPO-LLVKDONJSA-N 1 0 385.917 2.450 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456489555 532782046 /nfs/dbraw/zinc/78/20/46/532782046.db2.gz OXBNCNYSPLSBKA-XUJVJEKNSA-N 1 0 387.293 2.053 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411989723 532782535 /nfs/dbraw/zinc/78/25/35/532782535.db2.gz USKLQKOZPSDBSF-CZUORRHYSA-N 1 0 375.296 2.329 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNCc1cc(Br)ccc1OC(F)F ZINC000315850829 532782943 /nfs/dbraw/zinc/78/29/43/532782943.db2.gz NZCJZUGBDNIOAD-ZDUSSCGKSA-N 1 0 378.261 2.386 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000315990365 532783234 /nfs/dbraw/zinc/78/32/34/532783234.db2.gz CLWBMQCAZUBMOW-LBPRGKRZSA-N 1 0 389.315 2.317 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000318123889 532784536 /nfs/dbraw/zinc/78/45/36/532784536.db2.gz XDLNBSOWPREBFH-NEPJUHHUSA-N 1 0 391.331 2.453 20 0 GEADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)COCc1ccccc1Cl ZINC000319223314 532785533 /nfs/dbraw/zinc/78/55/33/532785533.db2.gz SRMGONOWHQHPFC-CQSZACIVSA-N 1 0 388.693 2.466 20 0 GEADRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000412081002 532785573 /nfs/dbraw/zinc/78/55/73/532785573.db2.gz LWJHSGGVMWOURH-VXGBXAGGSA-N 1 0 388.249 2.323 20 0 GEADRO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000412097907 532785708 /nfs/dbraw/zinc/78/57/08/532785708.db2.gz ZOAURBHVFKJLSU-GJZGRUSLSA-N 1 0 399.329 2.379 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cn2cc(Br)cn2)on1 ZINC000269685464 532786202 /nfs/dbraw/zinc/78/62/02/532786202.db2.gz CRWLVFPRHDKOFD-DZGCQCFKSA-N 1 0 394.273 2.039 20 0 GEADRO Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1C ZINC000269690253 532786603 /nfs/dbraw/zinc/78/66/03/532786603.db2.gz IUACJDWVWOLBGV-MRXNPFEDSA-N 1 0 381.523 2.045 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cc(Cn3cc(Br)cn3)on2)CCCC1 ZINC000269730548 532788290 /nfs/dbraw/zinc/78/82/90/532788290.db2.gz VIERDFMXPMEOJB-UHFFFAOYSA-N 1 0 396.289 2.286 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000269765812 532790292 /nfs/dbraw/zinc/79/02/92/532790292.db2.gz DDUASTJPPCWPQB-UHFFFAOYSA-N 1 0 388.536 2.349 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000326736856 532790622 /nfs/dbraw/zinc/79/06/22/532790622.db2.gz CKSFQTBNXXOHQG-KRWDZBQOSA-N 1 0 383.897 2.411 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000269763031 532790717 /nfs/dbraw/zinc/79/07/17/532790717.db2.gz CNUKFGWJNAAPOX-UHFFFAOYSA-N 1 0 380.432 2.219 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cccc(I)c1)[NH+]1CCCC1 ZINC000548697098 532792779 /nfs/dbraw/zinc/79/27/79/532792779.db2.gz GWPYXNGJVUKSIH-NSHDSACASA-N 1 0 394.278 2.054 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000270099611 532794403 /nfs/dbraw/zinc/79/44/03/532794403.db2.gz ZCQFYDCDSWIQFE-ZDUSSCGKSA-N 1 0 394.235 2.444 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000287436356 532795375 /nfs/dbraw/zinc/79/53/75/532795375.db2.gz BVQZWHPNRUAKQM-MRVPVSSYSA-N 1 0 392.656 2.248 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000270367753 532796381 /nfs/dbraw/zinc/79/63/81/532796381.db2.gz MBDJSCRFRKJYIF-XHDPSFHLSA-N 1 0 390.285 2.242 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000269307260 532780109 /nfs/dbraw/zinc/78/01/09/532780109.db2.gz ZDQWPKAPWMBAOH-CQSZACIVSA-N 1 0 391.331 2.103 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1Cl ZINC000269304980 532780170 /nfs/dbraw/zinc/78/01/70/532780170.db2.gz YTSWVARRNVYEBK-WFASDCNBSA-N 1 0 387.933 2.180 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)Nc1cccc(I)c1)C2 ZINC000313841639 532780190 /nfs/dbraw/zinc/78/01/90/532780190.db2.gz AXBSMVLHMXOEQZ-LRDDRELGSA-N 1 0 399.276 2.291 20 0 GEADRO CCN(CCC[NH2+]Cc1ccc(OC)cc1Br)S(C)(=O)=O ZINC000314322221 532780687 /nfs/dbraw/zinc/78/06/87/532780687.db2.gz FJIRYNCHCPCWMG-UHFFFAOYSA-N 1 0 379.320 2.219 20 0 GEADRO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)N(C)C)C2)ccc1Br ZINC000411935178 532781379 /nfs/dbraw/zinc/78/13/79/532781379.db2.gz DHYDLHYYHPIHPN-OLZOCXBDSA-N 1 0 382.302 2.495 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000287674345 532805518 /nfs/dbraw/zinc/80/55/18/532805518.db2.gz CZROVVZWCWVUHB-LBPRGKRZSA-N 1 0 382.302 2.006 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 ZINC000271236243 532805862 /nfs/dbraw/zinc/80/58/62/532805862.db2.gz WTMMEGSYVTZYPK-UHFFFAOYSA-N 1 0 389.315 2.067 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3nccn4c(Br)cnc34)CC[C@@H]21 ZINC000271510728 532807532 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[NH3+]Cc1cn([C@H]2CCCN(Cc3cc4c(c(Br)c3)OCO4)C2)nn1 ZINC000415127445 532838560 /nfs/dbraw/zinc/83/85/60/532838560.db2.gz NCHQMSFNRPRCBS-ZDUSSCGKSA-N 1 0 394.273 2.065 20 0 GEADRO O=C(Nc1cc(Br)cnc1OCC(F)(F)F)N1CC[NH2+]CC1 ZINC000415165454 532838596 /nfs/dbraw/zinc/83/85/96/532838596.db2.gz CRCWUMVLCJMIDW-UHFFFAOYSA-N 1 0 383.168 2.222 20 0 GEADRO O=C1N[C@H]2CN(Cc3sccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415136494 532839024 /nfs/dbraw/zinc/83/90/24/532839024.db2.gz HOTQHRXIKPMSBZ-UONOGXRCSA-N 1 0 399.358 2.231 20 0 GEADRO O=C1N[C@H]2CN(Cc3sccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415136490 532839043 /nfs/dbraw/zinc/83/90/43/532839043.db2.gz HOTQHRXIKPMSBZ-KBPBESRZSA-N 1 0 399.358 2.231 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000415272495 532839769 /nfs/dbraw/zinc/83/97/69/532839769.db2.gz QBBDYVVZAAYLBD-SNVBAGLBSA-N 1 0 379.766 2.169 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000415260420 532839833 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COC(=O)CC[C@H]([NH3+])C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000288869728 532840824 /nfs/dbraw/zinc/84/08/24/532840824.db2.gz YKIIIDIYRMBLKU-NSHDSACASA-N 1 0 383.659 2.422 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415299101 532840866 /nfs/dbraw/zinc/84/08/66/532840866.db2.gz HNKSYAZSOYSOGY-UHFFFAOYSA-N 1 0 398.301 2.372 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1Br ZINC000415286257 532840952 /nfs/dbraw/zinc/84/09/52/532840952.db2.gz TUMWUXBASRYNLR-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)C1 ZINC000415285597 532840989 /nfs/dbraw/zinc/84/09/89/532840989.db2.gz RXISQSACALLNOY-LBPRGKRZSA-N 1 0 398.301 2.163 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000415326414 532841121 /nfs/dbraw/zinc/84/11/21/532841121.db2.gz MPLYIHZURGAJJC-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415307870 532841431 /nfs/dbraw/zinc/84/14/31/532841431.db2.gz WOQYFXDFAPZOAB-GFCCVEGCSA-N 1 0 384.274 2.043 20 0 GEADRO Cc1csc2nc(C[N@H+](C)CCn3cc(Br)cn3)cc(=O)n12 ZINC000288912111 532841614 /nfs/dbraw/zinc/84/16/14/532841614.db2.gz UFUPFRSRISYVMV-UHFFFAOYSA-N 1 0 382.287 2.155 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)cc1Cl ZINC000288903937 532841722 /nfs/dbraw/zinc/84/17/22/532841722.db2.gz WLDRMDYOTBXYNR-UHFFFAOYSA-N 1 0 386.949 2.000 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCCn2cc(Br)cn2)C1 ZINC000288918478 532842146 /nfs/dbraw/zinc/84/21/46/532842146.db2.gz WYUGHHRNMBCUPI-ZFWWWQNUSA-N 1 0 384.322 2.161 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415348838 532842276 /nfs/dbraw/zinc/84/22/76/532842276.db2.gz LAASOLWBWHSNTR-QWRGUYRKSA-N 1 0 386.265 2.339 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000415344970 532842447 /nfs/dbraw/zinc/84/24/47/532842447.db2.gz OQAAXKZWIPAHEB-SECBINFHSA-N 1 0 379.766 2.040 20 0 GEADRO C[C@@H]([NH3+])CCNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415354787 532842698 /nfs/dbraw/zinc/84/26/98/532842698.db2.gz CIXWCYSMFCXQMO-SNVBAGLBSA-N 1 0 384.267 2.030 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000331694218 532842823 /nfs/dbraw/zinc/84/28/23/532842823.db2.gz XZSYNOGOPBYPJU-MLGOLLRUSA-N 1 0 382.302 2.456 20 0 GEADRO CCS(=O)(=O)NCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000328604819 206232122 /nfs/dbraw/zinc/23/21/22/206232122.db2.gz LEKLCJDNEYJIHH-VQIMIIECSA-N 1 0 390.509 2.029 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc(OC(C)C)c2)C1 ZINC000415374666 532843005 /nfs/dbraw/zinc/84/30/05/532843005.db2.gz KOLDHYGRJJSXQF-CYBMUJFWSA-N 1 0 398.301 2.385 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415365231 532843189 /nfs/dbraw/zinc/84/31/89/532843189.db2.gz IXGSZWWPOXMRLN-UHFFFAOYSA-N 1 0 382.180 2.132 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415363987 532843195 /nfs/dbraw/zinc/84/31/95/532843195.db2.gz RMGSSFKNQZLRPL-NSHDSACASA-N 1 0 375.803 2.133 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000359878526 206267012 /nfs/dbraw/zinc/26/70/12/206267012.db2.gz RIWLGIBYEJERTE-AWEZNQCLSA-N 1 0 398.504 2.168 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000359927044 206270490 /nfs/dbraw/zinc/27/04/90/206270490.db2.gz JXPJYGNGYDFYTJ-QGZVFWFLSA-N 1 0 376.545 2.437 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415388872 532843473 /nfs/dbraw/zinc/84/34/73/532843473.db2.gz DQTJMIKIBLWFRK-NSHDSACASA-N 1 0 391.269 2.004 20 0 GEADRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(OC(F)F)c(OC)c3)C2)nn1 ZINC000359973187 206275967 /nfs/dbraw/zinc/27/59/67/206275967.db2.gz JNFQZGDLSZFKAR-LBPRGKRZSA-N 1 0 382.367 2.122 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415398797 532844038 /nfs/dbraw/zinc/84/40/38/532844038.db2.gz TZVRUYVOQZIEPK-JTQLQIEISA-N 1 0 375.416 2.189 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000415394689 532844058 /nfs/dbraw/zinc/84/40/58/532844058.db2.gz LPUBYXLKWHHYEY-SECBINFHSA-N 1 0 375.803 2.466 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415395444 532844126 /nfs/dbraw/zinc/84/41/26/532844126.db2.gz ODGOZNHJSHIAIY-LLVKDONJSA-N 1 0 391.269 2.052 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000415403459 532844325 /nfs/dbraw/zinc/84/43/25/532844325.db2.gz KGAPGBYRWPLCJC-MRXNPFEDSA-N 1 0 382.258 2.453 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415409425 532844634 /nfs/dbraw/zinc/84/46/34/532844634.db2.gz DHGZPSFVUSKBNA-ZETCQYMHSA-N 1 0 380.645 2.152 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000415428270 532845101 /nfs/dbraw/zinc/84/51/01/532845101.db2.gz QFHHDSVYNQPTNR-OAHLLOKOSA-N 1 0 398.301 2.420 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415437246 532845320 /nfs/dbraw/zinc/84/53/20/532845320.db2.gz ZEDPDWLDMHCWDB-SNVBAGLBSA-N 1 0 377.819 2.412 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415434203 532845569 /nfs/dbraw/zinc/84/55/69/532845569.db2.gz HKFKBRORTXBCMV-WDEREUQCSA-N 1 0 386.265 2.421 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)C1CC1 ZINC000415440059 532845587 /nfs/dbraw/zinc/84/55/87/532845587.db2.gz DGNIDSQYDZFLMD-JTQLQIEISA-N 1 0 378.629 2.034 20 0 GEADRO Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)s1 ZINC000274236589 532845664 /nfs/dbraw/zinc/84/56/64/532845664.db2.gz LVDAOLFAMBLVED-UHFFFAOYSA-N 1 0 381.523 2.078 20 0 GEADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274231171 532845694 /nfs/dbraw/zinc/84/56/94/532845694.db2.gz KTFIQIFTVVKMQD-KRWDZBQOSA-N 1 0 375.270 2.460 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415445844 532845749 /nfs/dbraw/zinc/84/57/49/532845749.db2.gz SSXXBAMKLLMZGJ-DTWKUNHWSA-N 1 0 390.228 2.252 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000274261309 532846271 /nfs/dbraw/zinc/84/62/71/532846271.db2.gz WWZOLHJIZLWFAE-GFCCVEGCSA-N 1 0 385.306 2.133 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415442387 532845938 /nfs/dbraw/zinc/84/59/38/532845938.db2.gz PWFFTALYIUWGEU-NEPJUHHUSA-N 1 0 398.301 2.290 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000415448272 532846110 /nfs/dbraw/zinc/84/61/10/532846110.db2.gz XTBWGCLJWIRNCI-MRVPVSSYSA-N 1 0 394.191 2.227 20 0 GEADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274284312 532846731 /nfs/dbraw/zinc/84/67/31/532846731.db2.gz WCWRSODJVQXFGN-UHFFFAOYSA-N 1 0 375.420 2.304 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC ZINC000415477313 532846749 /nfs/dbraw/zinc/84/67/49/532846749.db2.gz WMKLKWVYVRNXSC-UHFFFAOYSA-N 1 0 390.267 2.352 20 0 GEADRO CC1(NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC[NH2+]CC1 ZINC000415478657 532846938 /nfs/dbraw/zinc/84/69/38/532846938.db2.gz GMMYAJJSGUTDLR-UHFFFAOYSA-N 1 0 379.262 2.293 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000289094656 532847252 /nfs/dbraw/zinc/84/72/52/532847252.db2.gz PCPKRBQADSXLFO-RISCZKNCSA-N 1 0 383.290 2.238 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1OCC ZINC000415502485 532848070 /nfs/dbraw/zinc/84/80/70/532848070.db2.gz SWNBLHVDHXCQMS-GFCCVEGCSA-N 1 0 386.290 2.420 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415503825 532847736 /nfs/dbraw/zinc/84/77/36/532847736.db2.gz VNQFHQFGUAHNLP-MRVPVSSYSA-N 1 0 378.217 2.300 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415504703 532847744 /nfs/dbraw/zinc/84/77/44/532847744.db2.gz XTBJVDOWROSNIJ-ZDUSSCGKSA-N 1 0 391.269 2.146 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415498431 532847876 /nfs/dbraw/zinc/84/78/76/532847876.db2.gz QHROICPOTRTOAU-SECBINFHSA-N 1 0 392.656 2.391 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415515352 532848251 /nfs/dbraw/zinc/84/82/51/532848251.db2.gz BZUPRIQYQONKJS-UHFFFAOYSA-N 1 0 379.258 2.052 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000415509740 532848380 /nfs/dbraw/zinc/84/83/80/532848380.db2.gz XCXWORYGDXHPRO-UHFFFAOYSA-N 1 0 398.301 2.052 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000415516596 532848446 /nfs/dbraw/zinc/84/84/46/532848446.db2.gz GNAITWJUYBDZBU-UHFFFAOYSA-N 1 0 386.290 2.291 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415527712 532848734 /nfs/dbraw/zinc/84/87/34/532848734.db2.gz RMHDNVBDRHDYDQ-WDEREUQCSA-N 1 0 380.286 2.072 20 0 GEADRO Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1Br ZINC000415505922 532848519 /nfs/dbraw/zinc/84/85/19/532848519.db2.gz QZXSFMHDVVFVTG-GFCCVEGCSA-N 1 0 383.290 2.076 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C[C@H]1[NH3+] ZINC000332095104 532849165 /nfs/dbraw/zinc/84/91/65/532849165.db2.gz AAIMRXZCWSAVTN-BDJLRTHQSA-N 1 0 382.291 2.415 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000274383137 532849177 /nfs/dbraw/zinc/84/91/77/532849177.db2.gz FLOLKIRSDGAXQY-UHFFFAOYSA-N 1 0 381.527 2.266 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000415539734 532849289 /nfs/dbraw/zinc/84/92/89/532849289.db2.gz VVZXSXKYTOCNIK-SNVBAGLBSA-N 1 0 394.191 2.260 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000332181201 532849378 /nfs/dbraw/zinc/84/93/78/532849378.db2.gz DSXAENDTXRYCLZ-AWEZNQCLSA-N 1 0 385.295 2.099 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415536591 532849433 /nfs/dbraw/zinc/84/94/33/532849433.db2.gz ZYODREDHKXUHEW-ZJUUUORDSA-N 1 0 375.416 2.317 20 0 GEADRO C[C@H](C[NH3+])NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000274406270 532849569 /nfs/dbraw/zinc/84/95/69/532849569.db2.gz HZIOIACILDSQMQ-SNVBAGLBSA-N 1 0 380.242 2.396 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415547415 532849338 /nfs/dbraw/zinc/84/93/38/532849338.db2.gz FTLYUYVYCGUNKF-UHFFFAOYSA-N 1 0 384.249 2.129 20 0 GEADRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000289192337 532849638 /nfs/dbraw/zinc/84/96/38/532849638.db2.gz UFMWOOXXJOROJK-WCQYABFASA-N 1 0 386.279 2.254 20 0 GEADRO O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)C1(c2ccc(Br)cc2)CCC1 ZINC000289218381 532849813 /nfs/dbraw/zinc/84/98/13/532849813.db2.gz LAWUXXWOWZATLC-QGZVFWFLSA-N 1 0 392.341 2.377 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415559600 532850023 /nfs/dbraw/zinc/85/00/23/532850023.db2.gz SSNDXERBYGBYSV-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ncc(C(F)(F)F)s1 ZINC000415576829 532850771 /nfs/dbraw/zinc/85/07/71/532850771.db2.gz WRQUCLOEGYURAJ-SSDOTTSWSA-N 1 0 391.341 2.120 20 0 GEADRO C[C@]1(CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCC[NH2+]C1 ZINC000415575312 532850781 /nfs/dbraw/zinc/85/07/81/532850781.db2.gz TZPHFYRFEMQVRS-HNNXBMFYSA-N 1 0 390.228 2.172 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415577833 532850949 /nfs/dbraw/zinc/85/09/49/532850949.db2.gz ZFWSDQAVJHIVHC-DTWKUNHWSA-N 1 0 379.766 2.386 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000415572242 532850977 /nfs/dbraw/zinc/85/09/77/532850977.db2.gz NWJNUPSUAGAGAN-VIFPVBQESA-N 1 0 379.408 2.013 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000274489188 532851235 /nfs/dbraw/zinc/85/12/35/532851235.db2.gz QOAPPTQTTADQJP-UHFFFAOYSA-N 1 0 389.681 2.037 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000415641951 532851579 /nfs/dbraw/zinc/85/15/79/532851579.db2.gz UZUUIFMSIFRGGA-RYUDHWBXSA-N 1 0 379.262 2.421 20 0 GEADRO COC(=O)c1cc(NC(=O)NCC[C@@H]2CC[NH2+]C2)cc(Br)c1F ZINC000415607541 532851485 /nfs/dbraw/zinc/85/14/85/532851485.db2.gz KOSUXLXJBLUOBI-VIFPVBQESA-N 1 0 388.237 2.496 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccnc1Br ZINC000289259505 532851509 /nfs/dbraw/zinc/85/15/09/532851509.db2.gz XSBMMYFPTAGYBH-UHFFFAOYSA-N 1 0 383.290 2.117 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415652968 532852073 /nfs/dbraw/zinc/85/20/73/532852073.db2.gz RNFBZXRYJIKLJL-QWHCGFSZSA-N 1 0 391.269 2.322 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415656248 532852075 /nfs/dbraw/zinc/85/20/75/532852075.db2.gz LBEVYXUXMHRGDM-KOLCDFICSA-N 1 0 375.803 2.037 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415650951 532852124 /nfs/dbraw/zinc/85/21/24/532852124.db2.gz BVWYYFIZQAHVHN-AAEUAGOBSA-N 1 0 398.301 2.432 20 0 GEADRO CCC[NH2+]CCNC(=O)Nc1cc(Br)c(F)cc1C(=O)OC ZINC000415632781 532851745 /nfs/dbraw/zinc/85/17/45/532851745.db2.gz XDYOFCAQRXPABM-UHFFFAOYSA-N 1 0 376.226 2.496 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Br ZINC000332296762 532851746 /nfs/dbraw/zinc/85/17/46/532851746.db2.gz KJCUYONMNCYBOT-OLZOCXBDSA-N 1 0 380.286 2.072 20 0 GEADRO COc1ccc(NC(=O)N2CCC[NH2+]CC2)c(I)c1 ZINC000332302792 532851784 /nfs/dbraw/zinc/85/17/84/532851784.db2.gz LMAQVOJAUFAFMW-UHFFFAOYSA-N 1 0 375.210 2.127 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415648746 532852364 /nfs/dbraw/zinc/85/23/64/532852364.db2.gz PBMWZTLLFMWJNH-UWVGGRQHSA-N 1 0 375.803 2.309 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)C[C@@H]21 ZINC000332347253 532852455 /nfs/dbraw/zinc/85/24/55/532852455.db2.gz OBJMRPDIAODFOX-SUZMYJTESA-N 1 0 384.249 2.113 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000332348698 532852485 /nfs/dbraw/zinc/85/24/85/532852485.db2.gz OIQMWXXWKQUUFR-CORIIIEPSA-N 1 0 380.286 2.282 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415660478 532852590 /nfs/dbraw/zinc/85/25/90/532852590.db2.gz WQQUNQOZXUCKHY-WDEREUQCSA-N 1 0 381.274 2.046 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415664991 532852609 /nfs/dbraw/zinc/85/26/09/532852609.db2.gz ZMXSZYXWXFVIPF-HTQZYQBOSA-N 1 0 376.201 2.052 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000415667228 532853101 /nfs/dbraw/zinc/85/31/01/532853101.db2.gz XSWWLLJHFNRFHV-CMPLNLGQSA-N 1 0 384.274 2.043 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1Br ZINC000415676777 532853179 /nfs/dbraw/zinc/85/31/79/532853179.db2.gz NILMFWVGGNJQTQ-CQSZACIVSA-N 1 0 398.301 2.291 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415670781 532853192 /nfs/dbraw/zinc/85/31/92/532853192.db2.gz IRVAWKUIPOIIKC-GWCFXTLKSA-N 1 0 391.269 2.193 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415689329 532853513 /nfs/dbraw/zinc/85/35/13/532853513.db2.gz MCENRTQXPUBUDI-LLVKDONJSA-N 1 0 386.265 2.423 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000415682813 532853551 /nfs/dbraw/zinc/85/35/51/532853551.db2.gz SBLBAHRBXGTCPM-QWRGUYRKSA-N 1 0 391.269 2.193 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415670240 532853232 /nfs/dbraw/zinc/85/32/32/532853232.db2.gz HLRQUUXLAZZJSK-TXEJJXNPSA-N 1 0 380.286 2.189 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415698797 532854142 /nfs/dbraw/zinc/85/41/42/532854142.db2.gz ZFIIHKGVFXPAFE-QGZVFWFLSA-N 1 0 391.269 2.133 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415696579 532853995 /nfs/dbraw/zinc/85/39/95/532853995.db2.gz ZRZRDCSKQBZBSN-SECBINFHSA-N 1 0 390.228 2.253 20 0 GEADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000289438786 532854627 /nfs/dbraw/zinc/85/46/27/532854627.db2.gz FSHSIOMDAFJMPM-CQSZACIVSA-N 1 0 392.301 2.378 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1Br ZINC000415712408 532854634 /nfs/dbraw/zinc/85/46/34/532854634.db2.gz UVEATNKYXPZUEJ-MFKMUULPSA-N 1 0 383.290 2.400 20 0 GEADRO COC[C@]1(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCC[NH2+]1 ZINC000415711507 532854417 /nfs/dbraw/zinc/85/44/17/532854417.db2.gz SKICGYKATOINHF-OAHLLOKOSA-N 1 0 394.686 2.470 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415732085 532855043 /nfs/dbraw/zinc/85/50/43/532855043.db2.gz WBACKEOPJCFAAX-GFCCVEGCSA-N 1 0 386.246 2.103 20 0 GEADRO Cc1cc(I)cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000415716871 532854709 /nfs/dbraw/zinc/85/47/09/532854709.db2.gz XKBJCSOQXIYGQI-CYBMUJFWSA-N 1 0 389.237 2.100 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)C(F)F ZINC000415733714 532855011 /nfs/dbraw/zinc/85/50/11/532855011.db2.gz ZQMWXFXPXQCDMW-LLVKDONJSA-N 1 0 380.798 2.420 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415741870 532855409 /nfs/dbraw/zinc/85/54/09/532855409.db2.gz LVIKCKHXRVNGBN-WCQYABFASA-N 1 0 398.276 2.339 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000415732136 532855192 /nfs/dbraw/zinc/85/51/92/532855192.db2.gz WCCGZRHZGFFAIK-WPRPVWTQSA-N 1 0 379.766 2.168 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415740406 532855532 /nfs/dbraw/zinc/85/55/32/532855532.db2.gz HALOMERPUXNUMC-VIFPVBQESA-N 1 0 376.226 2.097 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C[NH2+]1 ZINC000332466045 532855674 /nfs/dbraw/zinc/85/56/74/532855674.db2.gz QOOFJTILWAUCQK-MNOVXSKESA-N 1 0 384.274 2.112 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415756528 532855939 /nfs/dbraw/zinc/85/59/39/532855939.db2.gz IDUWVBGAXCRWRE-UHFFFAOYSA-N 1 0 378.217 2.300 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415768157 532856566 /nfs/dbraw/zinc/85/65/66/532856566.db2.gz VGWLWUKZGFRESU-GFCCVEGCSA-N 1 0 398.276 2.375 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415763015 532856473 /nfs/dbraw/zinc/85/64/73/532856473.db2.gz WYIGAICSZUQSIV-GFCCVEGCSA-N 1 0 378.274 2.756 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(I)cc2OC)C1 ZINC000415774370 532856790 /nfs/dbraw/zinc/85/67/90/532856790.db2.gz PNBFIQCKIUIFKK-SNVBAGLBSA-N 1 0 375.210 2.125 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000332513649 532856880 /nfs/dbraw/zinc/85/68/80/532856880.db2.gz VXFHTGJQIQPNAX-ZIAGYGMSSA-N 1 0 394.313 2.028 20 0 GEADRO COc1cc(I)ccc1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000415773616 532856885 /nfs/dbraw/zinc/85/68/85/532856885.db2.gz NKJQKJPQCSYFLP-SECBINFHSA-N 1 0 375.210 2.112 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415775938 532856896 /nfs/dbraw/zinc/85/68/96/532856896.db2.gz ACYFHHGNVBKTBS-RQJHMYQMSA-N 1 0 382.180 2.258 20 0 GEADRO COc1cc(I)ccc1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000415774833 532856963 /nfs/dbraw/zinc/85/69/63/532856963.db2.gz QYSHNWZYLAPGLK-SNVBAGLBSA-N 1 0 375.210 2.255 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cncc(Br)c2)cc1O ZINC000289501884 532856971 /nfs/dbraw/zinc/85/69/71/532856971.db2.gz SXKRZUUSWOIIDP-AWEZNQCLSA-N 1 0 381.270 2.499 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000332504914 532856636 /nfs/dbraw/zinc/85/66/36/532856636.db2.gz FMOIOMZSROEWSQ-STQMWFEESA-N 1 0 395.297 2.138 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F)C(F)F ZINC000415781813 532857164 /nfs/dbraw/zinc/85/71/64/532857164.db2.gz DKNOMHLMENHNMI-SECBINFHSA-N 1 0 385.745 2.021 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415789765 532857236 /nfs/dbraw/zinc/85/72/36/532857236.db2.gz PVKFGTDUFNCINK-VIFPVBQESA-N 1 0 382.180 2.260 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c1 ZINC000415784994 532857274 /nfs/dbraw/zinc/85/72/74/532857274.db2.gz GKIPPFDJKIIDBQ-UHFFFAOYSA-N 1 0 384.274 2.123 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc1Cl ZINC000415786187 532857276 /nfs/dbraw/zinc/85/72/76/532857276.db2.gz JPANXHPMFQBATD-JTQLQIEISA-N 1 0 384.210 2.429 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415783962 532857329 /nfs/dbraw/zinc/85/73/29/532857329.db2.gz LXOWAMLNQUOYIA-JTQLQIEISA-N 1 0 384.267 2.030 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415782467 532857370 /nfs/dbraw/zinc/85/73/70/532857370.db2.gz FDWJTBGXLHLMTJ-JTQLQIEISA-N 1 0 378.217 2.103 20 0 GEADRO CCCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c(F)c1 ZINC000415785950 532857415 /nfs/dbraw/zinc/85/74/15/532857415.db2.gz LDEZGCVXBRVNBN-LBPRGKRZSA-N 1 0 382.408 2.081 20 0 GEADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)c2)s1 ZINC000415781142 532857431 /nfs/dbraw/zinc/85/74/31/532857431.db2.gz JIXDFCGUYASIAE-NXEZZACHSA-N 1 0 379.511 2.097 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000332504910 532857052 /nfs/dbraw/zinc/85/70/52/532857052.db2.gz FMOIOMZSROEWSQ-OLZOCXBDSA-N 1 0 395.297 2.138 20 0 GEADRO COc1cc(I)ccc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415777603 532857094 /nfs/dbraw/zinc/85/70/94/532857094.db2.gz ZPEXHOQDLOSFRU-JTQLQIEISA-N 1 0 375.210 2.173 20 0 GEADRO COCC1(CNC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC[NH2+]CC1 ZINC000415779002 532857098 /nfs/dbraw/zinc/85/70/98/532857098.db2.gz ITSZAUOQWSNRQG-LLVKDONJSA-N 1 0 380.436 2.370 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc(F)c1Br ZINC000332585030 532857585 /nfs/dbraw/zinc/85/75/85/532857585.db2.gz JHNRNHIEVHMDEZ-GFCCVEGCSA-N 1 0 384.249 2.142 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000415798294 532857694 /nfs/dbraw/zinc/85/76/94/532857694.db2.gz AONBOBNOUJVBFP-HIFRSBDPSA-N 1 0 386.279 2.287 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1F)C1CCCC1 ZINC000415825135 532858887 /nfs/dbraw/zinc/85/88/87/532858887.db2.gz YKARFIRVSFTFKE-CYBMUJFWSA-N 1 0 390.228 2.300 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000289551421 532858516 /nfs/dbraw/zinc/85/85/16/532858516.db2.gz KKDVZUJSLYOKPT-BBRMVZONSA-N 1 0 382.302 2.446 20 0 GEADRO CCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415832627 532859382 /nfs/dbraw/zinc/85/93/82/532859382.db2.gz IXDRGTLIAWKGHY-GFCCVEGCSA-N 1 0 381.782 2.463 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000415833822 532859387 /nfs/dbraw/zinc/85/93/87/532859387.db2.gz ACXFDFAMCGKUQR-NEPJUHHUSA-N 1 0 398.301 2.230 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)n1 ZINC000415830472 532859418 /nfs/dbraw/zinc/85/94/18/532859418.db2.gz MCAZVENNTVFVJD-QMTHXVAHSA-N 1 0 376.507 2.347 20 0 GEADRO CC(C)Oc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415832672 532859473 /nfs/dbraw/zinc/85/94/73/532859473.db2.gz IZDKDMWUAJDDPQ-LBPRGKRZSA-N 1 0 381.782 2.462 20 0 GEADRO CN(CCN1CCOCC1)Cc1ncc(Br)cc1Br ZINC000274898022 532859210 /nfs/dbraw/zinc/85/92/10/532859210.db2.gz LYFRGHVDZLAKKJ-UHFFFAOYSA-N 1 0 393.123 2.371 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415826807 532859254 /nfs/dbraw/zinc/85/92/54/532859254.db2.gz CBXJLCBQIVRFFX-ZWNOBZJWSA-N 1 0 391.269 2.179 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000332640019 532859321 /nfs/dbraw/zinc/85/93/21/532859321.db2.gz USZRSYZKMXXHSG-CYBMUJFWSA-N 1 0 396.329 2.368 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1Br ZINC000415837366 532859867 /nfs/dbraw/zinc/85/98/67/532859867.db2.gz GGRKWELXJAPQML-QLJPJBMISA-N 1 0 386.265 2.278 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415839259 532859901 /nfs/dbraw/zinc/85/99/01/532859901.db2.gz SCUIMRFFFGHLIK-CYBMUJFWSA-N 1 0 398.301 2.006 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@@H]1C[NH3+] ZINC000415840241 532859928 /nfs/dbraw/zinc/85/99/28/532859928.db2.gz FYEASGBSHJFAIY-BDAKNGLRSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@H]1C[NH3+] ZINC000415835506 532859946 /nfs/dbraw/zinc/85/99/46/532859946.db2.gz BHYAACCFZPZBOD-VHSXEESVSA-N 1 0 375.803 2.323 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)ccc1Br ZINC000415845782 532860036 /nfs/dbraw/zinc/86/00/36/532860036.db2.gz VIMALOJVAMUQAC-SNVBAGLBSA-N 1 0 382.180 2.092 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(C)c1Br ZINC000415848062 532860051 /nfs/dbraw/zinc/86/00/51/532860051.db2.gz LLVWCCNRRUITFG-MFKMUULPSA-N 1 0 382.302 2.448 20 0 GEADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415862685 532861016 /nfs/dbraw/zinc/86/10/16/532861016.db2.gz FWVFQDNJSQMTHX-ZJUUUORDSA-N 1 0 375.778 2.365 20 0 GEADRO Cc1c(Br)cc(-c2nc([C@H]3CN4CCC[C@H]4CO3)no2)c(=O)n1C ZINC000289634607 532860827 /nfs/dbraw/zinc/86/08/27/532860827.db2.gz JDHNOGMFELKULO-GXFFZTMASA-N 1 0 395.257 2.042 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCCO1 ZINC000415859085 532861226 /nfs/dbraw/zinc/86/12/26/532861226.db2.gz KYLDNJLMAXXKSN-QMMMGPOBSA-N 1 0 380.659 2.162 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415869828 532861676 /nfs/dbraw/zinc/86/16/76/532861676.db2.gz FABPKMKOQMUOLI-UHFFFAOYSA-N 1 0 388.212 2.092 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415872996 532861449 /nfs/dbraw/zinc/86/14/49/532861449.db2.gz TUCUMMLNSZCXFL-YNEHKIRRSA-N 1 0 380.286 2.200 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415871526 532861464 /nfs/dbraw/zinc/86/14/64/532861464.db2.gz PATIRLIMXNOJHF-GARJFASQSA-N 1 0 384.249 2.031 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415872068 532861774 /nfs/dbraw/zinc/86/17/74/532861774.db2.gz QHDOBLYWGOSVPQ-GARJFASQSA-N 1 0 384.249 2.031 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(OCC[NH3+])cc2)s1 ZINC000415944888 532861948 /nfs/dbraw/zinc/86/19/48/532861948.db2.gz BGEXMPLTRQVMNF-UHFFFAOYSA-N 1 0 383.495 2.201 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415892026 532861993 /nfs/dbraw/zinc/86/19/93/532861993.db2.gz KPTMHKZAZQDPTL-UHFFFAOYSA-N 1 0 384.249 2.261 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000275043657 532862461 /nfs/dbraw/zinc/86/24/61/532862461.db2.gz SAYWQABURKPMKW-ABAIWWIYSA-N 1 0 380.286 2.295 20 0 GEADRO CN(CCC[NH+]1CCN(C)CC1)Cc1nc2ccc(Br)cc2n1C ZINC000275042589 532862216 /nfs/dbraw/zinc/86/22/16/532862216.db2.gz YSYUBTOCVVHESA-UHFFFAOYSA-N 1 0 394.361 2.405 20 0 GEADRO CC(C)C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C(=O)Nc1nccs1 ZINC000416001903 532862661 /nfs/dbraw/zinc/86/26/61/532862661.db2.gz ATICSEAJCLLDND-ZJUUUORDSA-N 1 0 381.424 2.075 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N1CCN(Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000416001686 532862482 /nfs/dbraw/zinc/86/24/82/532862482.db2.gz CTDOCRNLSAUNGP-CQSZACIVSA-N 1 0 378.826 2.447 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000289690673 532863274 /nfs/dbraw/zinc/86/32/74/532863274.db2.gz KAHPWKMMOUAKSX-RYUDHWBXSA-N 1 0 393.322 2.390 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCc1nc(-c2cccc(Cl)c2)no1)C(F)(F)F ZINC000416011205 532863053 /nfs/dbraw/zinc/86/30/53/532863053.db2.gz RKAZGVBEPICYOF-SNVBAGLBSA-N 1 0 377.754 2.469 20 0 GEADRO COc1ccc(CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(Cl)c1OC ZINC000416037331 532863533 /nfs/dbraw/zinc/86/35/33/532863533.db2.gz BGFMLODDSROZTR-NSHDSACASA-N 1 0 383.798 2.479 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N(CCO)Cc1cccc(Br)c1)C(F)(F)F ZINC000416037976 532863543 /nfs/dbraw/zinc/86/35/43/532863543.db2.gz CMDIKKYRJZOFPW-LBPRGKRZSA-N 1 0 398.223 2.233 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)C(F)(F)F ZINC000416046402 532863570 /nfs/dbraw/zinc/86/35/70/532863570.db2.gz OCZZOOIQIWJFJK-QWRGUYRKSA-N 1 0 384.196 2.061 20 0 GEADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccnc4c(Br)cccc34)C2)N1 ZINC000333154088 532865274 /nfs/dbraw/zinc/86/52/74/532865274.db2.gz BFVWHWHKSAWHBS-KRWDZBQOSA-N 1 0 389.253 2.171 20 0 GEADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000275138988 532865794 /nfs/dbraw/zinc/86/57/94/532865794.db2.gz UPKBEECOFAQELY-DGCLKSJQSA-N 1 0 395.219 2.483 20 0 GEADRO OCc1cn(CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)nn1 ZINC000289837811 532865804 /nfs/dbraw/zinc/86/58/04/532865804.db2.gz PSNJQIHGAWFIAQ-OAHLLOKOSA-N 1 0 381.274 2.427 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000289853803 532866453 /nfs/dbraw/zinc/86/64/53/532866453.db2.gz GBBLUWCRSJZHHY-CABCVRRESA-N 1 0 382.302 2.073 20 0 GEADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333299077 532866548 /nfs/dbraw/zinc/86/65/48/532866548.db2.gz KEBDUQQAMCYPLT-ZJUUUORDSA-N 1 0 381.864 3.071 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000289868041 532866708 /nfs/dbraw/zinc/86/67/08/532866708.db2.gz GXGNXMIXYWJUGZ-NEPJUHHUSA-N 1 0 375.441 2.441 20 0 GEADRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1I ZINC000289883994 532867123 /nfs/dbraw/zinc/86/71/23/532867123.db2.gz SDZOFBJFTJMRDU-LLVKDONJSA-N 1 0 386.237 2.116 20 0 GEADRO O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333309808 532867070 /nfs/dbraw/zinc/86/70/70/532867070.db2.gz LLGICNZJOALUKO-CYBMUJFWSA-N 1 0 394.317 2.233 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333399024 532868053 /nfs/dbraw/zinc/86/80/53/532868053.db2.gz YMMBUPXEUPPTML-DGCLKSJQSA-N 1 0 391.273 2.246 20 0 GEADRO COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520856 207021830 /nfs/dbraw/zinc/02/18/30/207021830.db2.gz CTTQUWWPOYEDGL-UHFFFAOYSA-N 1 0 392.463 2.280 20 0 GEADRO O=C(c1ccc(Br)cc1F)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333467628 532869166 /nfs/dbraw/zinc/86/91/66/532869166.db2.gz FKEQOILEOYFKFG-CYBMUJFWSA-N 1 0 398.276 2.015 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000333482910 532869436 /nfs/dbraw/zinc/86/94/36/532869436.db2.gz CHJTYCXCWORJOR-GUYCJALGSA-N 1 0 388.917 2.256 20 0 GEADRO OCc1cn(CCC[NH2+]Cc2ccc(Br)c3cccnc23)nn1 ZINC000289974991 532869556 /nfs/dbraw/zinc/86/95/56/532869556.db2.gz WJRZVJKHGPNZFD-UHFFFAOYSA-N 1 0 376.258 2.261 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000416296634 532869428 /nfs/dbraw/zinc/86/94/28/532869428.db2.gz OHRWLMPIYGVLPJ-STQMWFEESA-N 1 0 395.297 2.138 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000333519521 532869995 /nfs/dbraw/zinc/86/99/95/532869995.db2.gz GQTYPNJQIZWPPT-TZMCWYRMSA-N 1 0 394.313 2.482 20 0 GEADRO Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1C ZINC000290013401 532870216 /nfs/dbraw/zinc/87/02/16/532870216.db2.gz SKEMMIHRPDGLJL-NSHDSACASA-N 1 0 379.507 2.232 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1c(F)cc(Br)cc1F ZINC000290067711 532871553 /nfs/dbraw/zinc/87/15/53/532871553.db2.gz JDOSRXAVPMOOMA-UHFFFAOYSA-N 1 0 378.261 2.341 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000333660456 532871550 /nfs/dbraw/zinc/87/15/50/532871550.db2.gz LMNYITIJJIPRFU-GDBMZVCRSA-N 1 0 376.881 2.386 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000416368549 532871893 /nfs/dbraw/zinc/87/18/93/532871893.db2.gz HRHZJIAXCFZLRY-LBPRGKRZSA-N 1 0 376.906 2.367 20 0 GEADRO Cc1cc(NC(=O)CN2CCC3(CNC(=O)N3C)CC2)ccc1Br ZINC000333705445 532871930 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2.213 20 0 GEADRO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000333777359 532873409 /nfs/dbraw/zinc/87/34/09/532873409.db2.gz DDDBAJHMRVQOFB-ZDUSSCGKSA-N 1 0 392.297 2.157 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000333780361 532873491 /nfs/dbraw/zinc/87/34/91/532873491.db2.gz DQNIQMXZUIPJJV-WCVJEAGWSA-N 1 0 379.302 2.253 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C[C@H]1[NH+]1CCCC1 ZINC000275334170 532873106 /nfs/dbraw/zinc/87/31/06/532873106.db2.gz VZBUQBNTWXUXFF-VXGBXAGGSA-N 1 0 375.416 2.458 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333733625 532873148 /nfs/dbraw/zinc/87/31/48/532873148.db2.gz WNOYUFIFZQGNTP-VIFPVBQESA-N 1 0 381.267 2.017 20 0 GEADRO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333837686 532874055 /nfs/dbraw/zinc/87/40/55/532874055.db2.gz NRHVYTPDURHUNF-CYBMUJFWSA-N 1 0 392.297 2.157 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@]4(CC[NH2+]C4)C3)nc12 ZINC000333852516 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C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)[C@H]1OCCc2sccc21 ZINC000292400492 532915966 /nfs/dbraw/zinc/91/59/66/532915966.db2.gz LDUODYABAQRVLY-ULFGMLNVSA-N 1 0 381.519 2.477 20 0 GEADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)c(Cl)c1Cl ZINC000366313565 532916094 /nfs/dbraw/zinc/91/60/94/532916094.db2.gz QODFPRBFVWCXBZ-ZVVJDGAVSA-N 1 0 386.098 2.252 20 0 GEADRO C[C@@H]1CN(C(=O)NCCn2cc(Br)cn2)CC[N@@H+](C2CCC2)C1 ZINC000292092789 532912893 /nfs/dbraw/zinc/91/28/93/532912893.db2.gz SRAMGUYGKATDBE-ZDUSSCGKSA-N 1 0 384.322 2.161 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Br)c4c(c3)OCCO4)C2)C1 ZINC000292094169 532912979 /nfs/dbraw/zinc/91/29/79/532912979.db2.gz DNZDVKAKTKVEBZ-KRWDZBQOSA-N 1 0 381.270 2.388 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C)cnc1Br ZINC000292112913 532913118 /nfs/dbraw/zinc/91/31/18/532913118.db2.gz SWNAUCVJDFLPSR-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO Cn1c2ccc(CN3CCC[C@@H]3C(=O)N3CCSCC3)cc2sc1=O ZINC000365914705 532913170 /nfs/dbraw/zinc/91/31/70/532913170.db2.gz DAOUYGMVBWAZCD-OAHLLOKOSA-N 1 0 377.535 2.140 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000292108643 532913274 /nfs/dbraw/zinc/91/32/74/532913274.db2.gz PDPLUAPJGWQSJF-ZDUSSCGKSA-N 1 0 387.933 2.372 20 0 GEADRO C[NH+](C)CCN1CCCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000366000384 532913917 /nfs/dbraw/zinc/91/39/17/532913917.db2.gz MGVNIXMPRCFRPO-UHFFFAOYSA-N 1 0 390.272 2.437 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(CCS(=O)(=O)c3cccc(Br)c3)C2)C1 ZINC000292214655 532914083 /nfs/dbraw/zinc/91/40/83/532914083.db2.gz UMEKFYLDCUQIMP-MRXNPFEDSA-N 1 0 387.343 2.250 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCc1cn[nH]c1 ZINC000292235456 532914328 /nfs/dbraw/zinc/91/43/28/532914328.db2.gz UMJXSNBTACFJFX-UHFFFAOYSA-N 1 0 394.317 2.488 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366330624 532916331 /nfs/dbraw/zinc/91/63/31/532916331.db2.gz MDYMAJYSOOMVNW-DZGCQCFKSA-N 1 0 388.917 2.128 20 0 GEADRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)[C@H]1OCCc2sccc21 ZINC000292416809 532916365 /nfs/dbraw/zinc/91/63/65/532916365.db2.gz MLXRZIMGBALUBJ-MEDUHNTESA-N 1 0 379.507 2.428 20 0 GEADRO CS(=O)(=O)CC[C@H]1CCCCN1C[C@@H](O)COc1ccccc1Cl ZINC000366422788 532917241 /nfs/dbraw/zinc/91/72/41/532917241.db2.gz RXRXYHSGNWQVGO-HUUCEWRRSA-N 1 0 375.918 2.369 20 0 GEADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366463659 532917347 /nfs/dbraw/zinc/91/73/47/532917347.db2.gz SAFKJDCQWYKAGB-QLPKVWCKSA-N 1 0 389.297 2.258 20 0 GEADRO C[C@@H](NS(=O)(=O)CC[NH+]1CCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000366464788 532917417 /nfs/dbraw/zinc/91/74/17/532917417.db2.gz GBVOSMWEOXVGMG-GFCCVEGCSA-N 1 0 384.889 2.466 20 0 GEADRO C[C@H](CNC(=O)c1nn(C)cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000292796430 532918577 /nfs/dbraw/zinc/91/85/77/532918577.db2.gz NATMHJXDSZWTTF-GFCCVEGCSA-N 1 0 377.286 2.359 20 0 GEADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NC[C@@H]3CSCCS3)CC2)CC1 ZINC000366897509 532921857 /nfs/dbraw/zinc/92/18/57/532921857.db2.gz VSHVHBPENVRNFJ-QGZVFWFLSA-N 1 0 386.631 2.035 20 0 GEADRO CN(CC1CC[NH+](C)CC1)c1cnn(-c2ccccn2)c(=O)c1Br ZINC000292891300 532919681 /nfs/dbraw/zinc/91/96/81/532919681.db2.gz WTJXSCJFOXDDQC-UHFFFAOYSA-N 1 0 392.301 2.168 20 0 GEADRO C[N@H+](C[C@H](O)COCC(F)(F)F)[C@H](CO)c1cccc(Br)c1 ZINC000292933083 532920040 /nfs/dbraw/zinc/92/00/40/532920040.db2.gz MVHUJIUSANLDQH-QWHCGFSZSA-N 1 0 386.208 2.354 20 0 GEADRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000366812255 532921254 /nfs/dbraw/zinc/92/12/54/532921254.db2.gz SYRPVWAQFZLVMV-CABZTGNLSA-N 1 0 399.314 2.028 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000367481585 532925344 /nfs/dbraw/zinc/92/53/44/532925344.db2.gz VTOFUGIBTZXRHC-MRXNPFEDSA-N 1 0 389.880 2.202 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000367041252 532922419 /nfs/dbraw/zinc/92/24/19/532922419.db2.gz TXUGROYMVQWJHG-YOEHRIQHSA-N 1 0 391.313 2.467 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C[NH+](C)C ZINC000293146817 532922606 /nfs/dbraw/zinc/92/26/06/532922606.db2.gz KLGKUVGCYZHZRV-VIFPVBQESA-N 1 0 376.682 2.355 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(F)cc1Br ZINC000293205161 532923432 /nfs/dbraw/zinc/92/34/32/532923432.db2.gz LVSPYCQFFMGFST-QGZVFWFLSA-N 1 0 398.276 2.389 20 0 GEADRO CC(C)(CO)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C1CC1 ZINC000293247421 532923943 /nfs/dbraw/zinc/92/39/43/532923943.db2.gz ZFIDWZBFFXFWNH-HNNXBMFYSA-N 1 0 380.290 2.312 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293254334 532924254 /nfs/dbraw/zinc/92/42/54/532924254.db2.gz GAVHNXANJPKCFO-KRWDZBQOSA-N 1 0 395.301 2.035 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000293310821 532924980 /nfs/dbraw/zinc/92/49/80/532924980.db2.gz UEFWFHWGIUYMFY-KRWDZBQOSA-N 1 0 386.279 2.495 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1Cl ZINC000367677432 532926426 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C[NH+](C)CCn1nccc1NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000293916711 532933458 /nfs/dbraw/zinc/93/34/58/532933458.db2.gz ATIRDORFWJTWBE-ZDUSSCGKSA-N 1 0 379.258 2.322 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368599775 532933561 /nfs/dbraw/zinc/93/35/61/532933561.db2.gz DABKSSGUJMNFPY-FZMZJTMJSA-N 1 0 378.274 2.096 20 0 GEADRO CCN(CC)C(=O)CCCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000294096699 532935803 /nfs/dbraw/zinc/93/58/03/532935803.db2.gz NCJNNIOMIMYOQA-KRWDZBQOSA-N 1 0 384.318 2.388 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000368723093 532933841 /nfs/dbraw/zinc/93/38/41/532933841.db2.gz BJVTXAQXWGCOML-QWHCGFSZSA-N 1 0 380.286 2.060 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369026095 532936600 /nfs/dbraw/zinc/93/66/00/532936600.db2.gz HBXXRUNRTSGLGI-GJZGRUSLSA-N 1 0 398.301 2.120 20 0 GEADRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1cccc(Br)c1F)C2 ZINC000369078176 532936788 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O=C(CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1ccccc1Br ZINC000369361131 532938876 /nfs/dbraw/zinc/93/88/76/532938876.db2.gz ZYPYBPDVUWPIPD-DLBZAZTESA-N 1 0 396.329 2.309 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc1Br ZINC000369498480 532939532 /nfs/dbraw/zinc/93/95/32/532939532.db2.gz BNUXWBSENKZGED-CYBMUJFWSA-N 1 0 379.258 2.086 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(Cl)cc1Cl ZINC000370175374 532942541 /nfs/dbraw/zinc/94/25/41/532942541.db2.gz TYHAJCJBSFGUBK-NOZJJQNGSA-N 1 0 393.292 2.153 20 0 GEADRO Cc1ccc(CCCC(=O)N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000370264870 532942747 /nfs/dbraw/zinc/94/27/47/532942747.db2.gz LTHRRBODKWTBGA-MRXNPFEDSA-N 1 0 384.567 2.147 20 0 GEADRO C[C@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000369765106 532940806 /nfs/dbraw/zinc/94/08/06/532940806.db2.gz DTPFFWZTXIIWGT-YJBOKZPZSA-N 1 0 394.357 2.476 20 0 GEADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000369903876 532941333 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GEADRO CC[C@@H](NC(=O)C[NH2+]CCOC)c1noc(-c2cccc(Br)c2)n1 ZINC000370774023 532945307 /nfs/dbraw/zinc/94/53/07/532945307.db2.gz QLZMRPPNPHOFFR-CYBMUJFWSA-N 1 0 397.273 2.302 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000370981685 532946382 /nfs/dbraw/zinc/94/63/82/532946382.db2.gz DTSAKKVKSQBXGU-HOTGVXAUSA-N 1 0 385.277 2.188 20 0 GEADRO C[NH+]1CCC(n2ccc(NC(=O)Nc3cccc(Br)n3)n2)CC1 ZINC000370534696 532943961 /nfs/dbraw/zinc/94/39/61/532943961.db2.gz GMJDHYHLHDSLQL-UHFFFAOYSA-N 1 0 379.262 2.951 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)C[C@@H]1[NH+](C)C ZINC000371355617 532947732 /nfs/dbraw/zinc/94/77/32/532947732.db2.gz QQZSPEWVXBNIPD-OFQRWUPVSA-N 1 0 381.567 2.104 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371421961 532947958 /nfs/dbraw/zinc/94/79/58/532947958.db2.gz CDCFDEJECMWPIC-INIZCTEOSA-N 1 0 385.961 2.297 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000371536335 532948477 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ZINC000736755623 598933029 /nfs/dbraw/zinc/93/30/29/598933029.db2.gz BTWYMKRYBCZDGT-KRWDZBQOSA-N 1 0 392.463 2.222 20 0 GEADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737425871 598947889 /nfs/dbraw/zinc/94/78/89/598947889.db2.gz FSRBVFAEVYKQPL-FQEVSTJZSA-N 1 0 390.491 2.498 20 0 GEADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737392976 598973247 /nfs/dbraw/zinc/97/32/47/598973247.db2.gz CZYMDDCYMAMYNF-UHFFFAOYSA-N 1 0 393.495 2.449 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000736565478 598991420 /nfs/dbraw/zinc/99/14/20/598991420.db2.gz KQXYAXWRWKLGIA-OCCSQVGLSA-N 1 0 391.907 2.263 20 0 GEADRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736614930 598994221 /nfs/dbraw/zinc/99/42/21/598994221.db2.gz WHFPBWULLRVGLU-DLBZAZTESA-N 1 0 384.484 2.475 20 0 GEADRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCCC2 ZINC000736612943 598994445 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/nfs/dbraw/zinc/35/93/70/598359370.db2.gz FJLNWUZQYPICLA-UHFFFAOYSA-N 1 0 386.481 2.141 20 0 GEADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736821895 598366213 /nfs/dbraw/zinc/36/62/13/598366213.db2.gz HUWWBYLLMXQLSI-KRWDZBQOSA-N 1 0 394.483 2.224 20 0 GEADRO Cc1cnn(CC2CC[NH+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737443354 598367994 /nfs/dbraw/zinc/36/79/94/598367994.db2.gz JKFWVOFVUVLAFK-UHFFFAOYSA-N 1 0 394.483 2.112 20 0 GEADRO Cc1cc(C)c(-c2nn[nH]n2)c(SC[C@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000737242013 598369545 /nfs/dbraw/zinc/36/95/45/598369545.db2.gz ULBYIPIOOMUMAP-MRXNPFEDSA-N 1 0 384.509 2.464 20 0 GEADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000735564438 598373557 /nfs/dbraw/zinc/37/35/57/598373557.db2.gz WONLGVRSPXTJSB-CYBMUJFWSA-N 1 0 378.436 2.000 20 0 GEADRO CC(C)c1nnc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000735943500 598377066 /nfs/dbraw/zinc/37/70/66/598377066.db2.gz SHFJHHIPMZZRDD-UHFFFAOYSA-N 1 0 382.472 2.081 20 0 GEADRO CC(C)[C@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1)[NH+](C)C ZINC000735691199 598407965 /nfs/dbraw/zinc/40/79/65/598407965.db2.gz NJADXSXTZMBQKX-OAHLLOKOSA-N 1 0 385.497 2.439 20 0 GEADRO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C[C@H](C)O ZINC000736148051 598416022 /nfs/dbraw/zinc/41/60/22/598416022.db2.gz PADPBOZAQICGDO-LBPRGKRZSA-N 1 0 392.529 2.227 20 0 GEADRO O=C(COc1cccc(-c2nn[nH]n2)c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000737919792 598422124 /nfs/dbraw/zinc/42/21/24/598422124.db2.gz KBGDSGWKKCGLGI-KRWDZBQOSA-N 1 0 390.447 2.257 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000735873472 598427571 /nfs/dbraw/zinc/42/75/71/598427571.db2.gz AVTOTDMHXWRRMH-QZTJIDSGSA-N 1 0 383.500 2.414 20 0 GEADRO Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)[NH+]2CCCC2)cc1 ZINC000737320923 598461861 /nfs/dbraw/zinc/46/18/61/598461861.db2.gz RDRLXHMJCNQRDO-SFHVURJKSA-N 1 0 377.452 2.137 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736247448 598465683 /nfs/dbraw/zinc/46/56/83/598465683.db2.gz DEDFBYKDKLQCKU-FCEWJHQRSA-N 1 0 397.527 2.215 20 0 GEADRO Clc1ccc(C2(C[NH2+]Cc3cnc4c(-c5nn[nH]n5)cnn4c3)CC2)cc1 ZINC000737570691 598467018 /nfs/dbraw/zinc/46/70/18/598467018.db2.gz KUZWNWVWOPMPMR-UHFFFAOYSA-N 1 0 380.843 2.384 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000738407145 598493907 /nfs/dbraw/zinc/49/39/07/598493907.db2.gz GHLVOXLWJXOZRK-LBPRGKRZSA-N 1 0 377.905 2.291 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000735889303 598505255 /nfs/dbraw/zinc/50/52/55/598505255.db2.gz YKDZISQBBHWNSX-JSGCOSHPSA-N 1 0 391.907 2.310 20 0 GEADRO Clc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(Cl)c1 ZINC000737575486 598517803 /nfs/dbraw/zinc/51/78/03/598517803.db2.gz KTCKGHQXUJUNJY-SNVBAGLBSA-N 1 0 393.282 2.244 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)CCCC2 ZINC000736132210 598518073 /nfs/dbraw/zinc/51/80/73/598518073.db2.gz AKLNLRIBAWROBH-KGLIPLIRSA-N 1 0 378.484 2.335 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1OC(F)F ZINC000736135702 598519962 /nfs/dbraw/zinc/51/99/62/598519962.db2.gz PQOUUHXPCYOHIA-QWRGUYRKSA-N 1 0 390.398 2.057 20 0 GEADRO c1cc(-c2ccccc2)oc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738420814 598523850 /nfs/dbraw/zinc/52/38/50/598523850.db2.gz MHECWLGWHNCVGO-ZDUSSCGKSA-N 1 0 376.424 2.155 20 0 GEADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735987323 598525795 /nfs/dbraw/zinc/52/57/95/598525795.db2.gz YQUDBOMISVDIMI-CABCVRRESA-N 1 0 380.500 2.451 20 0 GEADRO Cc1c2cc(F)ccc2oc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737212473 598526137 /nfs/dbraw/zinc/52/61/37/598526137.db2.gz QPEDAHDETBYNSZ-NSHDSACASA-N 1 0 382.403 2.088 20 0 GEADRO CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736491197 598527380 /nfs/dbraw/zinc/52/73/80/598527380.db2.gz TXKBMGSTSMSHLN-UONOGXRCSA-N 1 0 382.472 2.245 20 0 GEADRO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737879988 598539983 /nfs/dbraw/zinc/53/99/83/598539983.db2.gz XHPRXLDHRQETHI-CQSZACIVSA-N 1 0 389.891 2.019 20 0 GEADRO CCN(CCC(=O)Nc1sccc1-c1nn[nH]n1)C[C@@H]1CCC[N@@H+]1CC ZINC000736535508 598559998 /nfs/dbraw/zinc/55/99/98/598559998.db2.gz UVGQRQYNZXGMLU-ZDUSSCGKSA-N 1 0 377.518 2.063 20 0 GEADRO Cn1cc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)cn1 ZINC000737600868 598562087 /nfs/dbraw/zinc/56/20/87/598562087.db2.gz ATGKRLMTKCUNFN-UHFFFAOYSA-N 1 0 375.436 2.469 20 0 GEADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737921352 598570369 /nfs/dbraw/zinc/57/03/69/598570369.db2.gz WEZQQHKTQWBUIQ-GOSISDBHSA-N 1 0 398.511 2.406 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000736266408 598578346 /nfs/dbraw/zinc/57/83/46/598578346.db2.gz HLGTUSZHCCCSRM-GPMSIDNRSA-N 1 0 397.527 2.215 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736755733 598600226 /nfs/dbraw/zinc/60/02/26/598600226.db2.gz DLZBZDPQDIDTPG-KRWDZBQOSA-N 1 0 392.463 2.222 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000736760948 598624356 /nfs/dbraw/zinc/62/43/56/598624356.db2.gz RWQPCUXRLZHZRF-HNNXBMFYSA-N 1 0 383.431 2.300 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000736760950 598624416 /nfs/dbraw/zinc/62/44/16/598624416.db2.gz RWQPCUXRLZHZRF-OAHLLOKOSA-N 1 0 383.431 2.300 20 0 GEADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000738165913 598625625 /nfs/dbraw/zinc/62/56/25/598625625.db2.gz GRNDXCLTXGFMHZ-OAHLLOKOSA-N 1 0 381.415 2.402 20 0 GEADRO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736170289 598666063 /nfs/dbraw/zinc/66/60/63/598666063.db2.gz PBFCJVQDFCFQDG-HOTGVXAUSA-N 1 0 394.479 2.271 20 0 GEADRO O=C(COc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737921844 598669182 /nfs/dbraw/zinc/66/91/82/598669182.db2.gz ZUTCJXMOMGUGIC-KRWDZBQOSA-N 1 0 398.511 2.360 20 0 GEADRO C[NH+](C)CCCOc1cccc(NC(=O)COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736768168 598669633 /nfs/dbraw/zinc/66/96/33/598669633.db2.gz XCVGPRQEFFBGAY-UHFFFAOYSA-N 1 0 396.451 2.215 20 0 GEADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736766553 598671206 /nfs/dbraw/zinc/67/12/06/598671206.db2.gz BKFBIFISGCQXJN-UHFFFAOYSA-N 1 0 380.452 2.127 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736570307 598681137 /nfs/dbraw/zinc/68/11/37/598681137.db2.gz LNQWJDXZEWJNSA-MRXNPFEDSA-N 1 0 393.451 2.268 20 0 GEADRO C[NH+](C)C1(CNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CCCC1 ZINC000736761872 598683174 /nfs/dbraw/zinc/68/31/74/598683174.db2.gz VHBKTUFKDVTSDO-UHFFFAOYSA-N 1 0 386.500 2.406 20 0 GEADRO CC[NH+]1CCC(N(C)C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736565931 598686393 /nfs/dbraw/zinc/68/63/93/598686393.db2.gz UUTFALAKABTMNN-UHFFFAOYSA-N 1 0 386.500 2.359 20 0 GEADRO C[C@H](CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)[NH+]1CCCC1 ZINC000736026921 598688025 /nfs/dbraw/zinc/68/80/25/598688025.db2.gz ZHCYOGOHMWNFFR-CQSZACIVSA-N 1 0 393.451 2.268 20 0 GEADRO CCC[NH+]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736480788 598688320 /nfs/dbraw/zinc/68/83/20/598688320.db2.gz MFVIOBBCQLEJMA-UHFFFAOYSA-N 1 0 393.451 2.222 20 0 GEADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736760574 598688329 /nfs/dbraw/zinc/68/83/29/598688329.db2.gz AKGAWDRYXPEFFL-KRWDZBQOSA-N 1 0 386.500 2.359 20 0 GEADRO C[C@@H]1c2ccccc2OCC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736305021 598763329 /nfs/dbraw/zinc/76/33/29/598763329.db2.gz SAQNSHHFALFWMT-GDBMZVCRSA-N 1 0 381.436 2.062 20 0 GEADRO COc1ccccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737137727 598805412 /nfs/dbraw/zinc/80/54/12/598805412.db2.gz IRDDITZHFCHWEF-UHFFFAOYSA-N 1 0 380.452 2.079 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCCc1ccccn1 ZINC000736767142 598808913 /nfs/dbraw/zinc/80/89/13/598808913.db2.gz MBRLDWGKPZRXIL-UHFFFAOYSA-N 1 0 393.495 2.175 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC(C[NH+](C)C)CC1 ZINC000735550241 598809356 /nfs/dbraw/zinc/80/93/56/598809356.db2.gz GVDQYMMWNOGXPY-GFCCVEGCSA-N 1 0 391.907 2.121 20 0 GEADRO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737880183 598813417 /nfs/dbraw/zinc/81/34/17/598813417.db2.gz ZDSHFBFWJQMJPC-AWEZNQCLSA-N 1 0 389.891 2.019 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[NH+](C2CCC2)CC1 ZINC000738400933 598822404 /nfs/dbraw/zinc/82/24/04/598822404.db2.gz KLLLWCLOAZJLJH-UHFFFAOYSA-N 1 0 377.905 2.387 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C[C@H]1[NH+](C)C ZINC000736293505 599295959 /nfs/dbraw/zinc/29/59/59/599295959.db2.gz VCEWZYZEHZZRCR-CXAGYDPISA-N 1 0 396.451 2.061 20 0 GEADRO C[C@@H]1CN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C[C@H]1[NH+](C)C ZINC000736290784 599298098 /nfs/dbraw/zinc/29/80/98/599298098.db2.gz JRBIPAANPLIOBF-CXAGYDPISA-N 1 0 396.451 2.061 20 0 GEADRO C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCO2 ZINC000820418931 599300908 /nfs/dbraw/zinc/30/09/08/599300908.db2.gz CPYGIRMOCZCJQW-LBPRGKRZSA-N 1 0 380.408 2.275 20 0 GEADRO Cc1ccc([C@H](O)C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1 ZINC000822231090 599304683 /nfs/dbraw/zinc/30/46/83/599304683.db2.gz ZKEVQUBKCJVNOT-GOSISDBHSA-N 1 0 382.443 2.170 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000737248859 599320457 /nfs/dbraw/zinc/32/04/57/599320457.db2.gz NIRITVHAGGOCBT-ROUUACIJSA-N 1 0 393.495 2.067 20 0 GEADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735964981 599357020 /nfs/dbraw/zinc/35/70/20/599357020.db2.gz HVDNCJKACOQGGK-INIZCTEOSA-N 1 0 382.472 2.298 20 0 GEADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412186 599374701 /nfs/dbraw/zinc/37/47/01/599374701.db2.gz KSFZFZUTOKHUQD-UTKZUKDTSA-N 1 0 392.507 2.461 20 0 GEADRO COc1ccc([C@H](C)CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821777807 599381322 /nfs/dbraw/zinc/38/13/22/599381322.db2.gz MQLIREXBZNIIER-FZKQIMNGSA-N 1 0 380.452 2.185 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C12CCCC2 ZINC000821359263 599386946 /nfs/dbraw/zinc/38/69/46/599386946.db2.gz NANGIABIFGSLGN-FGTMMUONSA-N 1 0 396.495 2.299 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2)c1cccc(-c2nn[nH]n2)c1 ZINC000820410028 599389380 /nfs/dbraw/zinc/38/93/80/599389380.db2.gz CBPBKMJDNUTGOY-OLZOCXBDSA-N 1 0 394.435 2.316 20 0 GEADRO Cc1cc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)ccc1OCC[NH+]1CCCC1 ZINC000737276040 599391221 /nfs/dbraw/zinc/39/12/21/599391221.db2.gz XKAGMRNIEAUXED-UHFFFAOYSA-N 1 0 393.451 2.297 20 0 GEADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1-c1nn[nH]n1 ZINC000821804055 599394196 /nfs/dbraw/zinc/39/41/96/599394196.db2.gz JGQDQANRMBQKRF-ZDUSSCGKSA-N 1 0 376.424 2.307 20 0 GEADRO C[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820365435 599403993 /nfs/dbraw/zinc/40/39/93/599403993.db2.gz JHINZSNTXURLOJ-OAHLLOKOSA-N 1 0 391.479 2.285 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CCCCC1 ZINC000821581072 599404338 /nfs/dbraw/zinc/40/43/38/599404338.db2.gz BSYCOYMABQRZSY-UHFFFAOYSA-N 1 0 375.452 2.070 20 0 GEADRO C[N@H+](CCCNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)Cc1ccccc1 ZINC000821599374 599404906 /nfs/dbraw/zinc/40/49/06/599404906.db2.gz QLDXSMZQODYOFY-UHFFFAOYSA-N 1 0 397.458 2.327 20 0 GEADRO FC(F)Oc1cc2c(cc1C[NH2+]Cc1ccc(-c3nn[nH]n3)cc1)OCO2 ZINC000822731946 599407307 /nfs/dbraw/zinc/40/73/07/599407307.db2.gz GCMXLMGPJMGRKD-UHFFFAOYSA-N 1 0 375.335 2.487 20 0 GEADRO CCOc1ccc(NC(=O)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821422039 599414323 /nfs/dbraw/zinc/41/43/23/599414323.db2.gz KLIBQRPSUPKDRR-UHFFFAOYSA-N 1 0 382.424 2.002 20 0 GEADRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000821808584 599431035 /nfs/dbraw/zinc/43/10/35/599431035.db2.gz IWFNRNQKCBEFKS-GFCCVEGCSA-N 1 0 376.461 2.268 20 0 GEADRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736800147 599448333 /nfs/dbraw/zinc/44/83/33/599448333.db2.gz JEZFJFAQFVKBQS-UHFFFAOYSA-N 1 0 376.461 2.092 20 0 GEADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000820431381 599451203 /nfs/dbraw/zinc/45/12/03/599451203.db2.gz FEBSJIBUFRTCFL-NSHDSACASA-N 1 0 375.429 2.260 20 0 GEADRO Cc1nc2ccccc2n1CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737490004 599483214 /nfs/dbraw/zinc/48/32/14/599483214.db2.gz OSYKVHINTLOOIZ-UHFFFAOYSA-N 1 0 387.451 2.352 20 0 GEADRO COc1cc2c(cc1C[NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)O[C@@H](C)C2 ZINC000737056572 599485086 /nfs/dbraw/zinc/48/50/86/599485086.db2.gz WYFASMWBANABSR-LBPRGKRZSA-N 1 0 391.435 2.136 20 0 GEADRO Fc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)cc1 ZINC000737659661 599487565 /nfs/dbraw/zinc/48/75/65/599487565.db2.gz LEFUXRYQTZCQHQ-AWEZNQCLSA-N 1 0 392.442 2.270 20 0 GEADRO C[NH+](C)CCOc1ccc(NCc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000736769924 599490698 /nfs/dbraw/zinc/49/06/98/599490698.db2.gz XFWDMHYVLNLJNR-UHFFFAOYSA-N 1 0 378.440 2.067 20 0 GEADRO c1cc2c(s1)CC[N@@H+](CCNc1c(-c3nn[nH]n3)cnc3ccccc31)C2 ZINC000823796512 599491966 /nfs/dbraw/zinc/49/19/66/599491966.db2.gz CSKZMQJBYISUCR-UHFFFAOYSA-N 1 0 377.477 2.369 20 0 GEADRO C[C@H]1CC[C@H](CCC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)O1 ZINC000820684065 599494014 /nfs/dbraw/zinc/49/40/14/599494014.db2.gz LRDXSAYOIJBOFR-MAUKXSAKSA-N 1 0 386.500 2.105 20 0 GEADRO COc1cc[nH+]c(N2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)c1 ZINC000821903840 599529103 /nfs/dbraw/zinc/52/91/03/599529103.db2.gz MNRZFWARSBRTDO-UHFFFAOYSA-N 1 0 388.435 2.145 20 0 GEADRO CC[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC[N@@H+]1CCOC ZINC000820995632 599534437 /nfs/dbraw/zinc/53/44/37/599534437.db2.gz VFUGJSJSJDHCJJ-ZDUSSCGKSA-N 1 0 384.406 2.433 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000736179771 599554765 /nfs/dbraw/zinc/55/47/65/599554765.db2.gz FOZOXNRRXSUNTR-HOTGVXAUSA-N 1 0 384.484 2.111 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000736224826 599555020 /nfs/dbraw/zinc/55/50/20/599555020.db2.gz BDYHUOLLCRBYQW-MAUKXSAKSA-N 1 0 391.479 2.387 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736857565 599569909 /nfs/dbraw/zinc/56/99/09/599569909.db2.gz ORLRKUAQVPDWDW-GOSISDBHSA-N 1 0 377.452 2.434 20 0 GEADRO CCOc1ccccc1OCC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000821437315 599570229 /nfs/dbraw/zinc/57/02/29/599570229.db2.gz NDZRJOMQPWHXJN-UHFFFAOYSA-N 1 0 394.479 2.466 20 0 GEADRO C[C@@H](O)CC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000820473565 599578527 /nfs/dbraw/zinc/57/85/27/599578527.db2.gz GSOMEUZMOICCSR-GFCCVEGCSA-N 1 0 392.529 2.228 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CC[C@H](C[NH+]4CCCCC4)C3)o2)c1 ZINC000823738661 599581427 /nfs/dbraw/zinc/58/14/27/599581427.db2.gz 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CCN(Cc1ccccc1)S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000445711423 649964287 /nfs/dbraw/zinc/96/42/87/649964287.db2.gz HKHCXPAOCYSRTQ-MSOLQXFVSA-N 1 0 383.583 2.265 20 0 GEADRO c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4nccnc4-c4nn[nH]n4)C3)C2)cc1 ZINC000823780098 606141985 /nfs/dbraw/zinc/14/19/85/606141985.db2.gz OAFNBRDPYWBZDR-FQEVSTJZSA-N 1 0 376.468 2.149 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000823246128 606157320 /nfs/dbraw/zinc/15/73/20/606157320.db2.gz CJGDNDNRBBCJMT-UHFFFAOYSA-N 1 0 383.500 2.463 20 0 GEADRO O[C@]1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCSC1 ZINC000823698510 606166869 /nfs/dbraw/zinc/16/68/69/606166869.db2.gz QOIPHFCIXUEOEU-FQEVSTJZSA-N 1 0 397.504 2.403 20 0 GEADRO O=C(C[N@@H+]1CCC[C@@]2(CCCOC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822996841 606179180 /nfs/dbraw/zinc/17/91/80/606179180.db2.gz KCZGMZSAOZDEEZ-GOSISDBHSA-N 1 0 390.875 2.351 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)[C@H](C)C1 ZINC000821254986 606184586 /nfs/dbraw/zinc/18/45/86/606184586.db2.gz RCGYQUSOLGREPR-CZUORRHYSA-N 1 0 382.472 2.079 20 0 GEADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820678782 606189325 /nfs/dbraw/zinc/18/93/25/606189325.db2.gz YJMOIHIIHKGLMU-UKPHBRMFSA-N 1 0 375.498 2.293 20 0 GEADRO CCOC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000821368173 606190750 /nfs/dbraw/zinc/19/07/50/606190750.db2.gz RMWSMJUZPDBGPN-VXGBXAGGSA-N 1 0 390.513 2.102 20 0 GEADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000820728415 606203899 /nfs/dbraw/zinc/20/38/99/606203899.db2.gz VRXJSFCLQMKGLT-BWACUDIHSA-N 1 0 382.447 2.157 20 0 GEADRO COc1ccc(CC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c(OC)c1OC ZINC000821790274 606216183 /nfs/dbraw/zinc/21/61/83/606216183.db2.gz MAHGTMFYJWPGFS-UHFFFAOYSA-N 1 0 375.454 2.286 20 0 GEADRO O=C1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000823519906 606224029 /nfs/dbraw/zinc/22/40/29/606224029.db2.gz JUZLJZDZMMBYIZ-UAGQMJEPSA-N 1 0 380.477 2.175 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000822542059 606245525 /nfs/dbraw/zinc/24/55/25/606245525.db2.gz UIGIENKUCFLENY-UHFFFAOYSA-N 1 0 385.472 2.407 20 0 GEADRO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c2cccs2)CC1 ZINC000820723083 606246421 /nfs/dbraw/zinc/24/64/21/606246421.db2.gz VMYIMLCSNRJCKN-OAHLLOKOSA-N 1 0 385.497 2.459 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cccc(OC)c1 ZINC000821181996 606249103 /nfs/dbraw/zinc/24/91/03/606249103.db2.gz ROPFBMDFCIZPAI-QGZVFWFLSA-N 1 0 383.456 2.016 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000820703455 606256349 /nfs/dbraw/zinc/25/63/49/606256349.db2.gz FQSXZMXMTLGNMX-CQSZACIVSA-N 1 0 379.468 2.499 20 0 GEADRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)c2)CC1 ZINC000820723054 606266280 /nfs/dbraw/zinc/26/62/80/606266280.db2.gz USXKMMAIMGIFJY-UHFFFAOYSA-N 1 0 379.468 2.357 20 0 GEADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)ccc1OC ZINC000821189815 606269651 /nfs/dbraw/zinc/26/96/51/606269651.db2.gz UWLMFJSNFUXMFB-UHFFFAOYSA-N 1 0 399.455 2.176 20 0 GEADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000821587166 606290448 /nfs/dbraw/zinc/29/04/48/606290448.db2.gz JYQSWBIORHOBRA-UHFFFAOYSA-N 1 0 389.847 2.051 20 0 GEADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000823294841 606293412 /nfs/dbraw/zinc/29/34/12/606293412.db2.gz UHFODRSUPBHMPC-UHFFFAOYSA-N 1 0 378.436 2.423 20 0 GEADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000821652505 606329178 /nfs/dbraw/zinc/32/91/78/606329178.db2.gz UKAVOZMVELMELD-ROUUACIJSA-N 1 0 384.484 2.031 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000445741313 649965281 /nfs/dbraw/zinc/96/52/81/649965281.db2.gz HDAZSPMDLCYLNN-KGLIPLIRSA-N 1 0 380.457 2.304 20 0 GEADRO c1cc(-c2nn[nH]n2)ccc1OCCC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000823743216 606336830 /nfs/dbraw/zinc/33/68/30/606336830.db2.gz VVPHTVQXCIZNMM-LJQANCHMSA-N 1 0 387.484 2.296 20 0 GEADRO Cc1cccc2ncnc(N3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)c12 ZINC000822340745 606399967 /nfs/dbraw/zinc/39/99/67/606399967.db2.gz GAFZIMPQRMVYPJ-UHFFFAOYSA-N 1 0 386.463 2.441 20 0 GEADRO C[NH+](C)C1CCN(CCNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000821582994 606402785 /nfs/dbraw/zinc/40/27/85/606402785.db2.gz FFNHXIFHEBTMRH-UHFFFAOYSA-N 1 0 383.422 2.323 20 0 GEADRO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)sn1 ZINC000822208339 606437929 /nfs/dbraw/zinc/43/79/29/606437929.db2.gz NOCXSFXIZBVRBH-UHFFFAOYSA-N 1 0 398.496 2.371 20 0 GEADRO FC(F)(F)c1cc(N2CCC(C[NH+]3CCOCC3)CC2)ccc1-c1nn[nH]n1 ZINC000822723928 606455564 /nfs/dbraw/zinc/45/55/64/606455564.db2.gz SZLOJTOQNGBBHB-UHFFFAOYSA-N 1 0 396.417 2.434 20 0 GEADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000822731950 606487792 /nfs/dbraw/zinc/48/77/92/606487792.db2.gz GMAKEQFXVHHQCN-UHFFFAOYSA-N 1 0 381.383 2.053 20 0 GEADRO CC(C)(CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000819981051 606505809 /nfs/dbraw/zinc/50/58/09/606505809.db2.gz LMLTXKBWQWQXBW-UHFFFAOYSA-N 1 0 390.491 2.362 20 0 GEADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821585962 606536119 /nfs/dbraw/zinc/53/61/19/606536119.db2.gz CVDMPDHYVGUEAO-UHFFFAOYSA-N 1 0 392.507 2.432 20 0 GEADRO CN(C(=O)c1cc(-c2nn[nH]n2)cs1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821573212 606540159 /nfs/dbraw/zinc/54/01/59/606540159.db2.gz GEGMOAPUPGPFKL-UHFFFAOYSA-N 1 0 397.508 2.102 20 0 GEADRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cc(-c4nn[nH]n4)cn3C)CC2)CC1 ZINC000820039096 606606052 /nfs/dbraw/zinc/60/60/52/606606052.db2.gz VQEIAPFEZPAVDD-UHFFFAOYSA-N 1 0 385.516 2.178 20 0 GEADRO COC(=O)CCC1CC[NH+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000821660266 606612388 /nfs/dbraw/zinc/61/23/88/606612388.db2.gz LFLYJEHDHRRETJ-UHFFFAOYSA-N 1 0 397.439 2.082 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCN1CCCc1ccccc1 ZINC000823512315 606629279 /nfs/dbraw/zinc/62/92/79/606629279.db2.gz MUOUQSPWRMPRNX-KRWDZBQOSA-N 1 0 382.493 2.252 20 0 GEADRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820881965 606660418 /nfs/dbraw/zinc/66/04/18/606660418.db2.gz GJQNVGLMABLXJF-UHFFFAOYSA-N 1 0 394.863 2.170 20 0 GEADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821585981 606667209 /nfs/dbraw/zinc/66/72/09/606667209.db2.gz DRPBNIATXQQUMO-UHFFFAOYSA-N 1 0 386.406 2.349 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000823690993 606715258 /nfs/dbraw/zinc/71/52/58/606715258.db2.gz ZNZLDKXGXDPDIE-FUHWJXTLSA-N 1 0 383.427 2.235 20 0 GEADRO COCCOc1ccccc1N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821693582 606761818 /nfs/dbraw/zinc/76/18/18/606761818.db2.gz FFSURRBCCDVLKK-UHFFFAOYSA-N 1 0 394.479 2.214 20 0 GEADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821896873 606769514 /nfs/dbraw/zinc/76/95/14/606769514.db2.gz CXYNIYFHPDTJTC-CZUORRHYSA-N 1 0 378.436 2.331 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)CCOCc1ccccc1 ZINC000821701956 606774195 /nfs/dbraw/zinc/77/41/95/606774195.db2.gz BPFACCMKYBMUOM-UHFFFAOYSA-N 1 0 383.452 2.403 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000821583313 606791284 /nfs/dbraw/zinc/79/12/84/606791284.db2.gz QUAXOBZGWHGFFC-INIZCTEOSA-N 1 0 393.451 2.220 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000821407040 606834612 /nfs/dbraw/zinc/83/46/12/606834612.db2.gz NUXNIHCMODTANJ-BBRMVZONSA-N 1 0 387.488 2.459 20 0 GEADRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000821133544 606852470 /nfs/dbraw/zinc/85/24/70/606852470.db2.gz ADOSKBUANAJNCB-QGZVFWFLSA-N 1 0 383.452 2.487 20 0 GEADRO C[C@@H]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820721697 606862000 /nfs/dbraw/zinc/86/20/00/606862000.db2.gz AACSYTUTAATFLY-UTKZUKDTSA-N 1 0 392.507 2.497 20 0 GEADRO NC(=O)[C@@H]([NH2+]CC1(Cc2ccccc2)CCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850594 606863468 /nfs/dbraw/zinc/86/34/68/606863468.db2.gz LCZHQLCIKKWFQD-SFHVURJKSA-N 1 0 376.464 2.396 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000822723596 606877121 /nfs/dbraw/zinc/87/71/21/606877121.db2.gz HDVXEPRZLYZKRG-STQMWFEESA-N 1 0 397.405 2.336 20 0 GEADRO CC(C)CNC(=O)C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820092479 606882551 /nfs/dbraw/zinc/88/25/51/606882551.db2.gz MNJUYYFGEGCVKM-UHFFFAOYSA-N 1 0 386.500 2.120 20 0 GEADRO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821617080 606883361 /nfs/dbraw/zinc/88/33/61/606883361.db2.gz VTKOUHLMZBAMDM-IBGZPJMESA-N 1 0 375.436 2.218 20 0 GEADRO C[C@H](c1ccccc1)[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)CC(N)=O ZINC000822004628 606883681 /nfs/dbraw/zinc/88/36/81/606883681.db2.gz JWEGHOCBRGTELX-OAHLLOKOSA-N 1 0 380.452 2.184 20 0 GEADRO CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821221654 606889837 /nfs/dbraw/zinc/88/98/37/606889837.db2.gz LJNJCPOFYHZGDO-GOSISDBHSA-N 1 0 383.452 2.439 20 0 GEADRO O[C@H](C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673179 606898105 /nfs/dbraw/zinc/89/81/05/606898105.db2.gz JYQXTXZQNQDWIS-WOJBJXKFSA-N 1 0 397.454 2.485 20 0 GEADRO CCc1nnc(N2CC[NH+](Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821528280 606909338 /nfs/dbraw/zinc/90/93/38/606909338.db2.gz MOXLFHTWJSVULR-UHFFFAOYSA-N 1 0 378.484 2.104 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000819939794 606913745 /nfs/dbraw/zinc/91/37/45/606913745.db2.gz JSRDGSWXIVRFFH-OAHLLOKOSA-N 1 0 388.472 2.235 20 0 GEADRO CCCCNC(=O)C1([NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000821065167 606929652 /nfs/dbraw/zinc/92/96/52/606929652.db2.gz FZFHLMHFWPYNJP-KRWDZBQOSA-N 1 0 386.500 2.109 20 0 GEADRO C[C@@H]1[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCOC1(C)C ZINC000820820653 606931492 /nfs/dbraw/zinc/93/14/92/606931492.db2.gz PDUDVNIKSJDGST-NSHDSACASA-N 1 0 378.864 2.348 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(C(F)(F)F)cc3-c3nn[nH]n3)CC2)C1 ZINC000821624053 606936079 /nfs/dbraw/zinc/93/60/79/606936079.db2.gz YJTBYPBPDGTTTK-AWEZNQCLSA-N 1 0 395.433 2.102 20 0 GEADRO OC[C@@]1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCN(Cc2ccccc2)C1 ZINC000823715233 606972840 /nfs/dbraw/zinc/97/28/40/606972840.db2.gz SCJCPYLXZIYKNG-OAQYLSRUSA-N 1 0 396.470 2.123 20 0 GEADRO CCC1(CC)[C@H]([NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1OC ZINC000820958172 606987254 /nfs/dbraw/zinc/98/72/54/606987254.db2.gz SJOJFNUFFVIODL-BBWFWOEESA-N 1 0 384.484 2.155 20 0 GEADRO C[C@H](CNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000820709367 606995364 /nfs/dbraw/zinc/99/53/64/606995364.db2.gz IAXWXXBXFVRPFY-LSDHHAIUSA-N 1 0 386.500 2.261 20 0 GEADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000821841616 606995659 /nfs/dbraw/zinc/99/56/59/606995659.db2.gz KDIRMJAADIJXDU-ZDUSSCGKSA-N 1 0 396.451 2.391 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820699003 607023004 /nfs/dbraw/zinc/02/30/04/607023004.db2.gz XMLSGMODAVOWRW-HUUCEWRRSA-N 1 0 386.500 2.403 20 0 GEADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4nccnc4-c4nn[nH]n4)CC[C@@H]32)cc1 ZINC000823779328 607031830 /nfs/dbraw/zinc/03/18/30/607031830.db2.gz ANKBJYNUUFCXSZ-IRXDYDNUSA-N 1 0 376.468 2.148 20 0 GEADRO Clc1cccc(N2CC[NH+](CCNc3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000822586054 607039346 /nfs/dbraw/zinc/03/93/46/607039346.db2.gz RFDNZUKHPWGAJM-UHFFFAOYSA-N 1 0 384.875 2.149 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596451 607053454 /nfs/dbraw/zinc/05/34/54/607053454.db2.gz KNMGGBQMTOSICB-INIZCTEOSA-N 1 0 398.511 2.214 20 0 GEADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)C1 ZINC000820705186 607057683 /nfs/dbraw/zinc/05/76/83/607057683.db2.gz RXCOELTVIQUOAN-CQSZACIVSA-N 1 0 386.475 2.476 20 0 GEADRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820225355 607058411 /nfs/dbraw/zinc/05/84/11/607058411.db2.gz HIQHJTVSHFULSG-CQSZACIVSA-N 1 0 382.443 2.233 20 0 GEADRO O[C@H](C1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1)C(F)(F)F ZINC000823675385 607075486 /nfs/dbraw/zinc/07/54/86/607075486.db2.gz WLYSUKFYRDEKIK-OAHLLOKOSA-N 1 0 380.374 2.255 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000819876951 607075568 /nfs/dbraw/zinc/07/55/68/607075568.db2.gz KYBMNMTYJMWKDL-OAHLLOKOSA-N 1 0 383.500 2.144 20 0 GEADRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822496719 607092002 /nfs/dbraw/zinc/09/20/02/607092002.db2.gz UADZWORTFKTELR-QGZVFWFLSA-N 1 0 380.456 2.074 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ncnc2sccc21 ZINC000821586453 607114715 /nfs/dbraw/zinc/11/47/15/607114715.db2.gz YPLIFHLAAMIRMR-UHFFFAOYSA-N 1 0 380.481 2.440 20 0 GEADRO OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC000823713050 607175219 /nfs/dbraw/zinc/17/52/19/607175219.db2.gz CMDZAUCTXZVWIB-YOEHRIQHSA-N 1 0 399.886 2.210 20 0 GEADRO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000823715901 607175222 /nfs/dbraw/zinc/17/52/22/607175222.db2.gz YSCGLGHGNOEVKZ-ZBFHGGJFSA-N 1 0 399.886 2.210 20 0 GEADRO Cn1c2ccccc2nc1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822600340 607227115 /nfs/dbraw/zinc/22/71/15/607227115.db2.gz LRGYBNLRVYEAPJ-UHFFFAOYSA-N 1 0 388.479 2.466 20 0 GEADRO C[NH+](C)C1CCN(c2ccc(NCc3cc(-c4nn[nH]n4)cs3)nc2)CC1 ZINC000821583196 607229774 /nfs/dbraw/zinc/22/97/74/607229774.db2.gz LYECTDLUDIPLSE-UHFFFAOYSA-N 1 0 384.513 2.466 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446097411 649971645 /nfs/dbraw/zinc/97/16/45/649971645.db2.gz XVBSLQXBYZEBKX-OCCSQVGLSA-N 1 0 380.286 2.428 20 0 GEADRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000824874445 607795151 /nfs/dbraw/zinc/79/51/51/607795151.db2.gz CXACIIKGBBQOQR-GDBMZVCRSA-N 1 0 379.468 2.225 20 0 GEADRO c1ccc2c(c1)CC[C@@]21C[N@H+](CCOc2ccccc2-c2nn[nH]n2)CCO1 ZINC000826523730 607803651 /nfs/dbraw/zinc/80/36/51/607803651.db2.gz WETRMYSPHBHUCK-OAQYLSRUSA-N 1 0 377.448 2.419 20 0 GEADRO CC[N@H+](CCc1nccs1)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000825428945 607817685 /nfs/dbraw/zinc/81/76/85/607817685.db2.gz WEIVYXNPRQZJHE-UHFFFAOYSA-N 1 0 395.496 2.412 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(c2ccccn2)CC1 ZINC000824045406 607830463 /nfs/dbraw/zinc/83/04/63/607830463.db2.gz MJGLNHAMRRTGHO-AWEZNQCLSA-N 1 0 377.452 2.468 20 0 GEADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824538417 607842603 /nfs/dbraw/zinc/84/26/03/607842603.db2.gz IYPJNYAGOZWNKT-KKBVYLPWSA-N 1 0 382.468 2.131 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[C@@H]1COc2ccccc21 ZINC000824554254 607843639 /nfs/dbraw/zinc/84/36/39/607843639.db2.gz OCRXSQVJUHMZSA-DOPJRALCSA-N 1 0 390.447 2.126 20 0 GEADRO Fc1cc(-c2nn[nH]n2)cc(F)c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000826371822 607848865 /nfs/dbraw/zinc/84/88/65/607848865.db2.gz VUKYHEPKULRRRD-AWEZNQCLSA-N 1 0 378.427 2.226 20 0 GEADRO c1ccc2c(c1)nc(N1CC[C@H](OCC[NH+]3CCCCC3)C1)cc2-c1nn[nH]n1 ZINC000826522733 607849151 /nfs/dbraw/zinc/84/91/51/607849151.db2.gz MCHTYCYIWIKGRT-INIZCTEOSA-N 1 0 393.495 2.496 20 0 GEADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000826523732 607850123 /nfs/dbraw/zinc/85/01/23/607850123.db2.gz WFGKYKLTZUUJIO-MRXNPFEDSA-N 1 0 393.495 2.496 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](C2CCOCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407379 607859274 /nfs/dbraw/zinc/85/92/74/607859274.db2.gz LCNUXZPDHULXOI-CYBMUJFWSA-N 1 0 376.486 2.005 20 0 GEADRO O[C@@H](COc1cc(Cl)ccc1-c1nn[nH]n1)C[N@@H+]1CCc2ccccc2C1 ZINC000826503843 607878541 /nfs/dbraw/zinc/87/85/41/607878541.db2.gz HPMNPYBMPNBKII-MRXNPFEDSA-N 1 0 385.855 2.318 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc[nH]c(=O)c1Br ZINC000446177958 649972319 /nfs/dbraw/zinc/97/23/19/649972319.db2.gz UEDFQFVXYQPOMD-KBPBESRZSA-N 1 0 398.301 2.047 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000824978515 607913450 /nfs/dbraw/zinc/91/34/50/607913450.db2.gz WHOCDPSUKPJRER-ZIAGYGMSSA-N 1 0 393.451 2.219 20 0 GEADRO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826406906 607943019 /nfs/dbraw/zinc/94/30/19/607943019.db2.gz SDHYGAPLCBBXFZ-ZWKOTPCHSA-N 1 0 396.426 2.142 20 0 GEADRO O=C(CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826406643 607943248 /nfs/dbraw/zinc/94/32/48/607943248.db2.gz GRCHOKXLWJIMNU-ROUUACIJSA-N 1 0 396.426 2.142 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000825000023 607963999 /nfs/dbraw/zinc/96/39/99/607963999.db2.gz MTPWVLZIFQYAEZ-GXSJLCMTSA-N 1 0 381.267 2.482 20 0 GEADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000825958401 607980922 /nfs/dbraw/zinc/98/09/22/607980922.db2.gz VETJCFSXZFBKAO-RTBURBONSA-N 1 0 391.479 2.454 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1c1ccccc1 ZINC000826029139 607981256 /nfs/dbraw/zinc/98/12/56/607981256.db2.gz PFABRIUFNRTCFA-MSOLQXFVSA-N 1 0 395.442 2.250 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826029109 608006961 /nfs/dbraw/zinc/00/69/61/608006961.db2.gz OIUXQMXFMKXIRH-UYAOXDASSA-N 1 0 376.464 2.361 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000824754570 608011943 /nfs/dbraw/zinc/01/19/43/608011943.db2.gz IOVWNALPZZRLDT-CABCVRRESA-N 1 0 397.435 2.435 20 0 GEADRO CCCCc1ccc(CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cc1 ZINC000825296555 608019310 /nfs/dbraw/zinc/01/93/10/608019310.db2.gz OCSXMSAGGFSXDW-UHFFFAOYSA-N 1 0 396.499 2.266 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(C)c(C)cc3o2)c1-c1nn[nH]n1 ZINC000826077840 608020614 /nfs/dbraw/zinc/02/06/14/608020614.db2.gz XJPFGSXCQOSNKA-UHFFFAOYSA-N 1 0 394.439 2.357 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccco3)s2)c1-c1nn[nH]n1 ZINC000826084393 608020813 /nfs/dbraw/zinc/02/08/13/608020813.db2.gz ZSJUYNDBCZUCLA-UHFFFAOYSA-N 1 0 398.452 2.316 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000823827327 608051246 /nfs/dbraw/zinc/05/12/46/608051246.db2.gz ZEXYKZYTNLCNAA-CYBMUJFWSA-N 1 0 393.289 2.294 20 0 GEADRO C[C@@H](C(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000824911070 608082325 /nfs/dbraw/zinc/08/23/25/608082325.db2.gz ZZYKPOWZXRKTTJ-JTOWHCCKSA-N 1 0 384.484 2.028 20 0 GEADRO Cc1ccc([C@H]2CC[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000826286003 608127801 /nfs/dbraw/zinc/12/78/01/608127801.db2.gz PRRNQPMKEPPEAP-IBGZPJMESA-N 1 0 376.464 2.281 20 0 GEADRO Cc1ccc([C@@H]2CC[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000826286004 608127816 /nfs/dbraw/zinc/12/78/16/608127816.db2.gz PRRNQPMKEPPEAP-LJQANCHMSA-N 1 0 376.464 2.281 20 0 GEADRO C[C@]1([NH2+]CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CCO[C@@H]1C1CC1 ZINC000824838494 608132951 /nfs/dbraw/zinc/13/29/51/608132951.db2.gz QVZJCCOBQMCXGM-WBVHZDCISA-N 1 0 376.848 2.006 20 0 GEADRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824450681 608135253 /nfs/dbraw/zinc/13/52/53/608135253.db2.gz XUMOQDIQACRBOL-PWFNWSNSSA-N 1 0 385.493 2.302 20 0 GEADRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824448679 608135470 /nfs/dbraw/zinc/13/54/70/608135470.db2.gz JZNQMTGILRZRJR-PWFNWSNSSA-N 1 0 385.493 2.302 20 0 GEADRO COc1ccc(C[C@](C)([NH3+])CNc2snc(Cl)c2-c2nn[nH]n2)cc1 ZINC000826191128 608192216 /nfs/dbraw/zinc/19/22/16/608192216.db2.gz XWCJGGHIRCUTNN-HNNXBMFYSA-N 1 0 379.877 2.357 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C=C1CCSCC1 ZINC000825865594 608219774 /nfs/dbraw/zinc/21/97/74/608219774.db2.gz HGGFBVJNSOFAGW-UHFFFAOYSA-N 1 0 386.525 2.210 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)CC1 ZINC000826033566 608226510 /nfs/dbraw/zinc/22/65/10/608226510.db2.gz HDSAWADZRUVDDL-GOSISDBHSA-N 1 0 392.511 2.021 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000824739145 608247734 /nfs/dbraw/zinc/24/77/34/608247734.db2.gz VSCBNFWPXVXIFV-GDBMZVCRSA-N 1 0 397.435 2.435 20 0 GEADRO O=C(CC[N@@H+]1CCOC2(CCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407507 608259193 /nfs/dbraw/zinc/25/91/93/608259193.db2.gz PFFNTHJFFGECQV-UHFFFAOYSA-N 1 0 376.848 2.104 20 0 GEADRO CCOCC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825595240 608268764 /nfs/dbraw/zinc/26/87/64/608268764.db2.gz WEMWNDZJOPJKQI-UHFFFAOYSA-N 1 0 392.529 2.494 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)c(NCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000826276818 608272760 /nfs/dbraw/zinc/27/27/60/608272760.db2.gz YRRVJMBHKKGSQA-UHFFFAOYSA-N 1 0 392.511 2.190 20 0 GEADRO COc1ccc(C[C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826191416 608280391 /nfs/dbraw/zinc/28/03/91/608280391.db2.gz GPSLVPSZJSLZIW-AWEZNQCLSA-N 1 0 383.452 2.484 20 0 GEADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826220444 608281524 /nfs/dbraw/zinc/28/15/24/608281524.db2.gz OBRMGNGGRNZUDN-CQSZACIVSA-N 1 0 396.451 2.261 20 0 GEADRO c1c2c(nc(NCC3([NH+]4CCCC4)CCOCC3)c1-c1nn[nH]n1)CCCC2 ZINC000826512265 608284188 /nfs/dbraw/zinc/28/41/88/608284188.db2.gz VCFCVWUHUXNLQP-UHFFFAOYSA-N 1 0 383.500 2.197 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000824604700 608285124 /nfs/dbraw/zinc/28/51/24/608285124.db2.gz DCGOJVDVOCNQIL-FOIQADDNSA-N 1 0 396.470 2.385 20 0 GEADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000826217029 608287407 /nfs/dbraw/zinc/28/74/07/608287407.db2.gz WUHWECGLYIGRFU-CYBMUJFWSA-N 1 0 396.451 2.391 20 0 GEADRO c1c2c(nc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c1-c1nn[nH]n1)CCCC2 ZINC000826512329 608291174 /nfs/dbraw/zinc/29/11/74/608291174.db2.gz XDNCWTQXBUQGCD-CQSZACIVSA-N 1 0 383.500 2.053 20 0 GEADRO CCC[C@H]1CN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC[N@@H+]1CCOC ZINC000825259633 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2.250 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000825860339 608383813 /nfs/dbraw/zinc/38/38/13/608383813.db2.gz QEZRRZUDGOPSFY-UHFFFAOYSA-N 1 0 377.880 2.109 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824946145 608396672 /nfs/dbraw/zinc/39/66/72/608396672.db2.gz IBEBFEFXDCMXRC-INIZCTEOSA-N 1 0 395.511 2.397 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825221103 608407802 /nfs/dbraw/zinc/40/78/02/608407802.db2.gz XZTHHUFINZTRGB-WMZOPIPTSA-N 1 0 392.511 2.419 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825451180 608418104 /nfs/dbraw/zinc/41/81/04/608418104.db2.gz HBTDLTPYQDAGBW-GOSISDBHSA-N 1 0 381.484 2.150 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000826176476 608426885 /nfs/dbraw/zinc/42/68/85/608426885.db2.gz QRXVEFLUOGSUAW-ZDUSSCGKSA-N 1 0 397.435 2.376 20 0 GEADRO 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VRMVKXRDLGBAPE-CYBMUJFWSA-N 1 0 394.435 2.333 20 0 GEADRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc(OC)c1 ZINC000826180492 608491526 /nfs/dbraw/zinc/49/15/26/608491526.db2.gz JVDFJCUTZXGJOO-LBPRGKRZSA-N 1 0 382.424 2.173 20 0 GEADRO COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826207004 608491581 /nfs/dbraw/zinc/49/15/81/608491581.db2.gz VXGZBVRWKAFNGD-RDTXWAMCSA-N 1 0 383.452 2.104 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc2c(c1)CC(=O)N2C ZINC000824598765 608494554 /nfs/dbraw/zinc/49/45/54/608494554.db2.gz IJXRPPZJLUSIBS-CYBMUJFWSA-N 1 0 378.436 2.115 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000826169712 608495820 /nfs/dbraw/zinc/49/58/20/608495820.db2.gz BLTOVNGHTOQDJQ-LBPRGKRZSA-N 1 0 378.436 2.245 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000826222338 608505785 /nfs/dbraw/zinc/50/57/85/608505785.db2.gz SVAKLJMHEOPGGX-HZPDHXFCSA-N 1 0 395.554 2.045 20 0 GEADRO 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/nfs/dbraw/zinc/60/93/04/608609304.db2.gz XHNMPECMMBCPST-IBGZPJMESA-N 1 0 392.463 2.156 20 0 GEADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825232866 608656807 /nfs/dbraw/zinc/65/68/07/608656807.db2.gz LEDNOGODJXESBO-HOCLYGCPSA-N 1 0 396.499 2.031 20 0 GEADRO CCCn1cc(CN2CCC[N@H+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cn1 ZINC000825362225 608686410 /nfs/dbraw/zinc/68/64/10/608686410.db2.gz KGWBXVXYFKOPJK-UHFFFAOYSA-N 1 0 386.529 2.243 20 0 GEADRO OCCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1CCc2ccccc21 ZINC000826509880 608703588 /nfs/dbraw/zinc/70/35/88/608703588.db2.gz OKIMVCKLYWACMN-LJQANCHMSA-N 1 0 389.463 2.386 20 0 GEADRO CC[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@@H](O)c1ccc(C)cc1 ZINC000825445286 608723039 /nfs/dbraw/zinc/72/30/39/608723039.db2.gz ZIMDHUISVMBOLY-GOSISDBHSA-N 1 0 377.452 2.378 20 0 GEADRO CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)no1 ZINC000824359310 608739276 /nfs/dbraw/zinc/73/92/76/608739276.db2.gz UZYWUMCHQWIKIC-GFCCVEGCSA-N 1 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COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000826213882 609138869 /nfs/dbraw/zinc/13/88/69/609138869.db2.gz PYFLQFGNQVGQOI-LBPRGKRZSA-N 1 0 384.415 2.095 20 0 GEADRO C[NH+](C)CCCNC(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[nH]n1 ZINC000825865817 609176010 /nfs/dbraw/zinc/17/60/10/609176010.db2.gz MKZKNMPFMUKDID-UHFFFAOYSA-N 1 0 397.508 2.089 20 0 GEADRO NC(=O)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)Cc1ccccc1Cl ZINC000826389155 609187056 /nfs/dbraw/zinc/18/70/56/609187056.db2.gz RAJZGRSAWGAEGM-AWEZNQCLSA-N 1 0 388.834 2.093 20 0 GEADRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825418101 609203119 /nfs/dbraw/zinc/20/31/19/609203119.db2.gz XBTYLZMCODRXOM-IBGZPJMESA-N 1 0 394.479 2.058 20 0 GEADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826453798 609211581 /nfs/dbraw/zinc/21/15/81/609211581.db2.gz ZYDNBJKOSVOMHR-IBGZPJMESA-N 1 0 392.463 2.177 20 0 GEADRO C[C@@H]1C[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000824875363 609228023 /nfs/dbraw/zinc/22/80/23/609228023.db2.gz MCIUJNDUSJMRNO-ZBFHGGJFSA-N 1 0 379.468 2.225 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2=O)ccc1Br ZINC000446406364 649979961 /nfs/dbraw/zinc/97/99/61/649979961.db2.gz QFFLITYFVXNJQD-MGPQQGTHSA-N 1 0 394.313 2.497 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C=Cc1cccc(O)c1 ZINC000825865417 609268647 /nfs/dbraw/zinc/26/86/47/609268647.db2.gz DHNNZSJEENLFLL-DHZHZOJOSA-N 1 0 392.463 2.176 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)o2)c1 ZINC000826512919 609283965 /nfs/dbraw/zinc/28/39/65/609283965.db2.gz TXZUITWDMSBMCB-MRXNPFEDSA-N 1 0 381.440 2.308 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1-c1nn[nH]n1 ZINC000826231297 609315578 /nfs/dbraw/zinc/31/55/78/609315578.db2.gz FUSDSCPHQZRWKP-NSHDSACASA-N 1 0 399.524 2.241 20 0 GEADRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824594229 609332012 /nfs/dbraw/zinc/33/20/12/609332012.db2.gz YLYLIXRGDLNXSA-GFCCVEGCSA-N 1 0 384.415 2.182 20 0 GEADRO CC(C)[C@@H](CNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCC1 ZINC000824191856 609336688 /nfs/dbraw/zinc/33/66/88/609336688.db2.gz HBWVOTBJHDRBKC-LJQANCHMSA-N 1 0 394.527 2.477 20 0 GEADRO CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824228438 609340795 /nfs/dbraw/zinc/34/07/95/609340795.db2.gz IKNFGYCTPXPSHW-LPHOPBHVSA-N 1 0 381.484 2.418 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1-c1nn[nH]n1 ZINC000824328847 609352856 /nfs/dbraw/zinc/35/28/56/609352856.db2.gz BYLFGNQNOXMWNE-CYBMUJFWSA-N 1 0 385.472 2.426 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000823820525 609358555 /nfs/dbraw/zinc/35/85/55/609358555.db2.gz GOKSGILYQXGLLQ-CYBMUJFWSA-N 1 0 394.273 2.214 20 0 GEADRO CN(Cc1ccc(-c2nn[nH]n2)cc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000825962319 609362067 /nfs/dbraw/zinc/36/20/67/609362067.db2.gz WQLBXLQVCYJXNR-AWEZNQCLSA-N 1 0 377.290 2.298 20 0 GEADRO CN(C)c1cccc(NCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)[nH+]1 ZINC000825883184 609371733 /nfs/dbraw/zinc/37/17/33/609371733.db2.gz CUZSXCUKCGPNSY-UHFFFAOYSA-N 1 0 375.440 2.340 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCCC[C@H]1O ZINC000825914519 609379909 /nfs/dbraw/zinc/37/99/09/609379909.db2.gz IKCSJXZRNVRPSI-BLLLJJGKSA-N 1 0 392.891 2.332 20 0 GEADRO COc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826216276 609413059 /nfs/dbraw/zinc/41/30/59/609413059.db2.gz RCFJAFRFVAFXNG-GOSISDBHSA-N 1 0 378.436 2.161 20 0 GEADRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C1CCOCC1 ZINC000825141285 609417260 /nfs/dbraw/zinc/41/72/60/609417260.db2.gz NGSSZJIUXNLLCN-ZWKOTPCHSA-N 1 0 384.484 2.157 20 0 GEADRO c1ccc2c(c1)CC[C@H](C[NH+]1CCN(c3ncccc3-c3nn[nH]n3)CC1)C2 ZINC000826523635 609419281 /nfs/dbraw/zinc/41/92/81/609419281.db2.gz SBKKPZHFNNYWBX-INIZCTEOSA-N 1 0 375.480 2.189 20 0 GEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)CC1 ZINC000825860853 609464488 /nfs/dbraw/zinc/46/44/88/609464488.db2.gz ZCGQDWDNMNINLN-UHFFFAOYSA-N 1 0 394.483 2.225 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000824223325 609493763 /nfs/dbraw/zinc/49/37/63/609493763.db2.gz GUBNUYZYRFXLIN-ZDUSSCGKSA-N 1 0 395.414 2.272 20 0 GEADRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000826388486 609506742 /nfs/dbraw/zinc/50/67/42/609506742.db2.gz AVPCOWDYSDPOCE-OAHLLOKOSA-N 1 0 390.369 2.072 20 0 GEADRO COc1ccc(C2(C[NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CCC2)cc1 ZINC000826190240 609508156 /nfs/dbraw/zinc/50/81/56/609508156.db2.gz VCUJJTCYCKDDBY-SFHVURJKSA-N 1 0 392.463 2.113 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[C@H]1CCCOC1 ZINC000824531360 609511953 /nfs/dbraw/zinc/51/19/53/609511953.db2.gz PDOJXZKAJAWTNL-WOPDTQHZSA-N 1 0 390.513 2.149 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1 ZINC000446657324 649985745 /nfs/dbraw/zinc/98/57/45/649985745.db2.gz HCMOKDQXXAJQRO-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccc(Br)cn1)C(C)C ZINC000446693665 649986887 /nfs/dbraw/zinc/98/68/87/649986887.db2.gz PDXAFZCHEPPLEH-UHFFFAOYSA-N 1 0 385.306 2.360 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](COC)C2CCOCC2)s1 ZINC000446824357 649989474 /nfs/dbraw/zinc/98/94/74/649989474.db2.gz FGBHTQLDNDBQBD-INIZCTEOSA-N 1 0 390.571 2.310 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000447089442 649997002 /nfs/dbraw/zinc/99/70/02/649997002.db2.gz VYTVADWHAWXGLP-CQSZACIVSA-N 1 0 392.297 2.183 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000447246813 650003302 /nfs/dbraw/zinc/00/33/02/650003302.db2.gz HHBFNSIPAOPHNK-RDDDGLTNSA-N 1 0 387.221 2.436 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)C[C@H]21 ZINC000447246462 650003305 /nfs/dbraw/zinc/00/33/05/650003305.db2.gz GNJFXPPTLYGXJV-KCPJHIHWSA-N 1 0 378.416 2.376 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000447251591 650003685 /nfs/dbraw/zinc/00/36/85/650003685.db2.gz VDWMWGRWASXJQI-XVKPBYJWSA-N 1 0 387.221 2.436 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)c(F)cc3F)C[C@H]21 ZINC000447254727 650004115 /nfs/dbraw/zinc/00/41/15/650004115.db2.gz HSIHWVLUUCCVMC-IGJMFERPSA-N 1 0 395.269 2.475 20 0 GEADRO C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000447254829 650004138 /nfs/dbraw/zinc/00/41/38/650004138.db2.gz CUYZJULGBRXLBX-SECBINFHSA-N 1 0 385.649 2.442 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)[nH]1 ZINC000447102960 649997713 /nfs/dbraw/zinc/99/77/13/649997713.db2.gz UXAUKLUDPQQKOE-AWEZNQCLSA-N 1 0 392.253 2.459 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000447608330 650007567 /nfs/dbraw/zinc/00/75/67/650007567.db2.gz VCYIOSWRISDGQJ-DAXOMENPSA-N 1 0 379.444 2.200 20 0 GEADRO Cn1cc(Br)cc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1=O ZINC000448004614 650012744 /nfs/dbraw/zinc/01/27/44/650012744.db2.gz PITKCZZXUSAZDP-CYBMUJFWSA-N 1 0 385.306 2.390 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cn2)C1 ZINC000448160899 650013938 /nfs/dbraw/zinc/01/39/38/650013938.db2.gz WDTMRZOHSILLKY-CYBMUJFWSA-N 1 0 390.347 2.490 20 0 GEADRO Cc1nn(C)c(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1Br ZINC000448339085 650015417 /nfs/dbraw/zinc/01/54/17/650015417.db2.gz JMEOXMHLOXJPJI-HUUCEWRRSA-N 1 0 398.393 2.481 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000448600462 650017698 /nfs/dbraw/zinc/01/76/98/650017698.db2.gz HHPDOOUYNQWCTN-UHFFFAOYSA-N 1 0 380.290 2.347 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(Br)cn1 ZINC000447941863 650011665 /nfs/dbraw/zinc/01/16/65/650011665.db2.gz LKQZMYQRHRSIEV-LBPRGKRZSA-N 1 0 376.320 2.243 20 0 GEADRO Cc1cc(C)c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000448875597 650024542 /nfs/dbraw/zinc/02/45/42/650024542.db2.gz SPEUXIHIRNDEAZ-CQSZACIVSA-N 1 0 396.329 2.383 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2ccc(C)cc2Br)CC1 ZINC000448977457 650027871 /nfs/dbraw/zinc/02/78/71/650027871.db2.gz YQEDIWNAFDAZQJ-OAHLLOKOSA-N 1 0 382.346 2.442 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000448976572 650027899 /nfs/dbraw/zinc/02/78/99/650027899.db2.gz UUXOOWNWPVCJCM-UHFFFAOYSA-N 1 0 391.313 2.365 20 0 GEADRO C[C@H](CNC(=O)c1cc2c(ccc(F)c2Br)[nH]1)N1CC[NH+](C)CC1 ZINC000448979768 650028200 /nfs/dbraw/zinc/02/82/00/650028200.db2.gz KZBKHHVYYFCSSY-LLVKDONJSA-N 1 0 397.292 2.435 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](CCO)CC1CC1 ZINC000449021287 650030153 /nfs/dbraw/zinc/03/01/53/650030153.db2.gz SNZOFKOAOMFZCV-GFCCVEGCSA-N 1 0 385.302 2.167 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@H](O)C(C)C ZINC000449151816 650032921 /nfs/dbraw/zinc/03/29/21/650032921.db2.gz BOMCFCZQMSCZKM-DOMZBBRYSA-N 1 0 387.318 2.459 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](CO)C1CC1 ZINC000449336390 650038704 /nfs/dbraw/zinc/03/87/04/650038704.db2.gz NCCVXFFRFDPGRD-FZMZJTMJSA-N 1 0 385.302 2.071 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000449289875 650037749 /nfs/dbraw/zinc/03/77/49/650037749.db2.gz VHUINRPHXIXPSW-RWMBFGLXSA-N 1 0 385.302 2.165 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000449319541 650038228 /nfs/dbraw/zinc/03/82/28/650038228.db2.gz KMGWPVPLJVFIOU-MBNYWOFBSA-N 1 0 391.331 2.191 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000449132399 650032312 /nfs/dbraw/zinc/03/23/12/650032312.db2.gz UISJLICJCFQISW-IUODEOHRSA-N 1 0 396.329 2.289 20 0 GEADRO COc1cc(C[NH2+]CCn2cc(Br)ccc2=O)cc2c1OCCO2 ZINC000449381347 650039466 /nfs/dbraw/zinc/03/94/66/650039466.db2.gz YHUIMRVYFOVFTM-UHFFFAOYSA-N 1 0 395.253 2.180 20 0 GEADRO CCn1nnc(C)c1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449681295 650045364 /nfs/dbraw/zinc/04/53/64/650045364.db2.gz IWJZJOBWOBPOFP-ZDUSSCGKSA-N 1 0 385.281 2.449 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000449409805 650040193 /nfs/dbraw/zinc/04/01/93/650040193.db2.gz WLFLAPOONBEDFB-JYJNAYRXSA-N 1 0 377.428 2.481 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000449439891 650040466 /nfs/dbraw/zinc/04/04/66/650040466.db2.gz AXCARSXYQDHBFM-GXTWGEPZSA-N 1 0 375.922 2.283 20 0 GEADRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cccc(I)c2)C1 ZINC000449455028 650041214 /nfs/dbraw/zinc/04/12/14/650041214.db2.gz QATAGJURVBSIAM-OAHLLOKOSA-N 1 0 389.233 2.303 20 0 GEADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449686631 650045503 /nfs/dbraw/zinc/04/55/03/650045503.db2.gz XOAPOVCDLACQKR-DOMZBBRYSA-N 1 0 387.293 2.386 20 0 GEADRO C[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C[C@H](C)[N@H+]1CCO ZINC000449538753 650042414 /nfs/dbraw/zinc/04/24/14/650042414.db2.gz UMAGJBRKUVBLQR-BETUJISGSA-N 1 0 384.311 2.461 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000449577190 650042953 /nfs/dbraw/zinc/04/29/53/650042953.db2.gz CYNZBXHYPZDCEI-KGLIPLIRSA-N 1 0 379.302 2.371 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cnn(C)c2C)cc1Br ZINC000449599924 650043637 /nfs/dbraw/zinc/04/36/37/650043637.db2.gz MGZNPQSAIAVAIP-CQSZACIVSA-N 1 0 382.302 2.440 20 0 GEADRO COc1nccnc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449603323 650043955 /nfs/dbraw/zinc/04/39/55/650043955.db2.gz VVEFVNZRPCKYGP-LLVKDONJSA-N 1 0 384.249 2.328 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C ZINC000449686056 650045741 /nfs/dbraw/zinc/04/57/41/650045741.db2.gz VINJSDLCEIVTGF-OCCSQVGLSA-N 1 0 392.359 2.321 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000449696077 650045975 /nfs/dbraw/zinc/04/59/75/650045975.db2.gz HBVQIWFGZBRWFG-AWEZNQCLSA-N 1 0 397.317 2.465 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000449700351 650046504 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CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449738208 650048149 /nfs/dbraw/zinc/04/81/49/650048149.db2.gz ZZGNHRATMACIMF-TYNCELHUSA-N 1 0 385.302 2.213 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](O)C1CCC1 ZINC000449739589 650048154 /nfs/dbraw/zinc/04/81/54/650048154.db2.gz LOHDXVQHYUCTHW-ABAIWWIYSA-N 1 0 385.302 2.213 20 0 GEADRO O=C(c1ccc(I)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449742920 650048501 /nfs/dbraw/zinc/04/85/01/650048501.db2.gz SGCKCPQNYLDZLZ-PELKAZGASA-N 1 0 376.625 2.379 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000449748546 650048656 /nfs/dbraw/zinc/04/86/56/650048656.db2.gz BVGIFFCZCHHARK-LLVKDONJSA-N 1 0 384.221 2.038 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)nnn1-c1cccc(Br)c1 ZINC000449753081 650048995 /nfs/dbraw/zinc/04/89/95/650048995.db2.gz NNLWMKLFHDJZIO-CYBMUJFWSA-N 1 0 378.274 2.209 20 0 GEADRO CC[C@H]1CN(C(=O)Cc2sccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000450029842 650058632 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GIOJDRBDEQENJS-UHFFFAOYSA-N 1 0 385.249 2.387 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1nn(C)cc1Br ZINC000454643287 650274166 /nfs/dbraw/zinc/27/41/66/650274166.db2.gz NJYYWWSDBBDJMX-UPJWGTAASA-N 1 0 386.338 2.348 20 0 GEADRO COc1ccc(Br)c(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000454655686 650274929 /nfs/dbraw/zinc/27/49/29/650274929.db2.gz KIXGLLUSYXGYSL-LBPRGKRZSA-N 1 0 386.290 2.426 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000454712953 650276727 /nfs/dbraw/zinc/27/67/27/650276727.db2.gz SGOPGKKPEYQASO-UHFFFAOYSA-N 1 0 399.333 2.030 20 0 GEADRO Cc1csc([C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C(F)(F)F)n1 ZINC000455689175 650312892 /nfs/dbraw/zinc/31/28/92/650312892.db2.gz SYWZPFQGODAOIC-NSHDSACASA-N 1 0 380.436 2.153 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000455712531 650314103 /nfs/dbraw/zinc/31/41/03/650314103.db2.gz URWKSHKIOCSABC-NWDGAFQWSA-N 1 0 382.452 2.447 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1nnc2ccc(Br)cn21 ZINC000455768422 650317502 /nfs/dbraw/zinc/31/75/02/650317502.db2.gz XPBANQFAQVAKKU-UHFFFAOYSA-N 1 0 395.305 2.832 20 0 GEADRO C[C@@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[N@@H+]1CCCC[C@@H]1C ZINC000455839531 650321169 /nfs/dbraw/zinc/32/11/69/650321169.db2.gz HPFBNDUSRDUNIO-RYUDHWBXSA-N 1 0 395.305 2.876 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455845774 650321291 /nfs/dbraw/zinc/32/12/91/650321291.db2.gz NWJAOVQDQIACGZ-NWDGAFQWSA-N 1 0 395.305 2.734 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(I)cn1 ZINC000455850203 650321669 /nfs/dbraw/zinc/32/16/69/650321669.db2.gz REHXZETZGHUBAX-STQMWFEESA-N 1 0 385.249 2.385 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456305503 650336782 /nfs/dbraw/zinc/33/67/82/650336782.db2.gz BJSWMCOPTSMLJT-GVZPALNKSA-N 1 0 394.313 2.309 20 0 GEADRO COC(=O)CCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456383980 650338639 /nfs/dbraw/zinc/33/86/39/650338639.db2.gz ZDRVKAZBISORGH-LBPRGKRZSA-N 1 0 398.301 2.481 20 0 GEADRO C[NH+]1CCC(C(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000456732974 650361321 /nfs/dbraw/zinc/36/13/21/650361321.db2.gz VEPDRFURZHREJV-CYBMUJFWSA-N 1 0 387.293 2.197 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456733045 650361323 /nfs/dbraw/zinc/36/13/23/650361323.db2.gz VMBCGTZDZVUICH-XBFCOCLRSA-N 1 0 387.293 2.053 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000457043763 650372398 /nfs/dbraw/zinc/37/23/98/650372398.db2.gz WXCKLDNOVGRFRC-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000457365948 650376323 /nfs/dbraw/zinc/37/63/23/650376323.db2.gz CFQXSPUXHWTHFK-MBNYWOFBSA-N 1 0 380.286 2.140 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500425624 650376481 /nfs/dbraw/zinc/37/64/81/650376481.db2.gz NSAXNFJIABMQHS-CYBMUJFWSA-N 1 0 396.329 2.097 20 0 GEADRO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 ZINC000457369277 650376882 /nfs/dbraw/zinc/37/68/82/650376882.db2.gz HNSWYAPCLFOUDD-HNNXBMFYSA-N 1 0 379.507 2.307 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1OC(F)F ZINC000500467194 650378300 /nfs/dbraw/zinc/37/83/00/650378300.db2.gz FCCNOWTVOUTIDX-OLZOCXBDSA-N 1 0 378.441 2.104 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1Br ZINC000500501048 650379889 /nfs/dbraw/zinc/37/98/89/650379889.db2.gz SUPAJLUFZSRJTG-OCCSQVGLSA-N 1 0 391.331 2.265 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c(SC)cc1OC ZINC000500511158 650379917 /nfs/dbraw/zinc/37/99/17/650379917.db2.gz DKQIOUBTVOXOGB-GXTWGEPZSA-N 1 0 388.555 2.233 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000457543920 650380766 /nfs/dbraw/zinc/38/07/66/650380766.db2.gz UANBFVYJNUHEQS-CVEARBPZSA-N 1 0 397.317 2.459 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000457881527 650388233 /nfs/dbraw/zinc/38/82/33/650388233.db2.gz LCDGTBRWJXMADQ-ZDUSSCGKSA-N 1 0 397.317 2.419 20 0 GEADRO OC[C@@H]1CSCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000501530083 650394074 /nfs/dbraw/zinc/39/40/74/650394074.db2.gz FYFVMWVUFWLKCK-CYBMUJFWSA-N 1 0 393.290 2.470 20 0 GEADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000501342624 650390207 /nfs/dbraw/zinc/39/02/07/650390207.db2.gz QOBQMMUQCXTJPD-UKRRQHHQSA-N 1 0 387.318 2.472 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000458168895 650398547 /nfs/dbraw/zinc/39/85/47/650398547.db2.gz DUHUMMYIJYDJSX-CYBMUJFWSA-N 1 0 382.302 2.027 20 0 GEADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCSC2CCCCC2)C1 ZINC000501920462 650399252 /nfs/dbraw/zinc/39/92/52/650399252.db2.gz URHOTWCMCBUFIK-QGZVFWFLSA-N 1 0 378.604 2.425 20 0 GEADRO COc1cc(Br)c(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1OC ZINC000501949806 650399459 /nfs/dbraw/zinc/39/94/59/650399459.db2.gz RVJAIIUXDCFCBU-STQMWFEESA-N 1 0 387.318 2.353 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000458379524 650401326 /nfs/dbraw/zinc/40/13/26/650401326.db2.gz GQJUZNMPBXOOQD-CQSZACIVSA-N 1 0 398.345 2.302 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000501980064 650399766 /nfs/dbraw/zinc/39/97/66/650399766.db2.gz PRNNEWIAQPFEQD-STQMWFEESA-N 1 0 381.318 2.223 20 0 GEADRO C[NH+]1CCC(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000458339906 650400403 /nfs/dbraw/zinc/40/04/03/650400403.db2.gz SCBQIWJTESATDU-UHFFFAOYSA-N 1 0 380.290 2.466 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458689687 650407917 /nfs/dbraw/zinc/40/79/17/650407917.db2.gz NRSAZHALKHZMFK-MRXNPFEDSA-N 1 0 384.318 2.404 20 0 GEADRO CN(C(=O)NCCOCC[NH+](C)C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000502603339 650408689 /nfs/dbraw/zinc/40/86/89/650408689.db2.gz NGXQTFMETXYUNT-CVEARBPZSA-N 1 0 390.311 2.171 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc(C)c2Br)C[C@@H]1[NH+](C)C ZINC000503218552 650416256 /nfs/dbraw/zinc/41/62/56/650416256.db2.gz DAIPPILKKUGQDZ-RYUDHWBXSA-N 1 0 393.372 2.424 20 0 GEADRO C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000458858443 650412085 /nfs/dbraw/zinc/41/20/85/650412085.db2.gz UFLMTXSLCMLZDA-BMIGLBTASA-N 1 0 376.270 2.261 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503033986 650413975 /nfs/dbraw/zinc/41/39/75/650413975.db2.gz YPRNOTCTWQIHMG-UHFFFAOYSA-N 1 0 379.245 2.354 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000459033471 650417579 /nfs/dbraw/zinc/41/75/79/650417579.db2.gz UYBHGZISNRDNJD-ZDUSSCGKSA-N 1 0 384.322 2.343 20 0 GEADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000503454854 650417948 /nfs/dbraw/zinc/41/79/48/650417948.db2.gz AEYDOXKKBNNUFY-JKSUJKDBSA-N 1 0 385.555 2.139 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000459055791 650418445 /nfs/dbraw/zinc/41/84/45/650418445.db2.gz JHIQELXGZBBXDW-XHDPSFHLSA-N 1 0 388.306 2.083 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000503597664 650420446 /nfs/dbraw/zinc/42/04/46/650420446.db2.gz JFARWAFELDPMJK-CABCVRRESA-N 1 0 387.571 2.186 20 0 GEADRO C[C@H]1CN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@H]1[NH+](C)C ZINC000459211202 650421352 /nfs/dbraw/zinc/42/13/52/650421352.db2.gz LRUSJSLXKSHEOK-GXFFZTMASA-N 1 0 380.290 2.417 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000459224626 650421581 /nfs/dbraw/zinc/42/15/81/650421581.db2.gz WXVXFHYEUGMQQP-LLVKDONJSA-N 1 0 380.290 2.419 20 0 GEADRO C[C@H]1NC(=O)N(CC[N@H+]2CC=C(c3cccc(Br)c3)CC2)C1=O ZINC000459394829 650423762 /nfs/dbraw/zinc/42/37/62/650423762.db2.gz BIYZPFGIMKVHAX-GFCCVEGCSA-N 1 0 378.270 2.479 20 0 GEADRO CC(=O)NCC[N@@H+](CCc1cncn1C)Cc1ccc(Br)s1 ZINC000459444393 650424453 /nfs/dbraw/zinc/42/44/53/650424453.db2.gz FUYAKOXUAMCIOH-UHFFFAOYSA-N 1 0 385.331 2.425 20 0 GEADRO CC(=O)NCCc1ccc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)s1 ZINC000503962515 650424921 /nfs/dbraw/zinc/42/49/21/650424921.db2.gz LMAMNVREPJOCLO-UHFFFAOYSA-N 1 0 389.587 2.166 20 0 GEADRO Cc1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Br)no1 ZINC000459543958 650427989 /nfs/dbraw/zinc/42/79/89/650427989.db2.gz NEYWNSVWMBJXGW-UHFFFAOYSA-N 1 0 388.287 2.204 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000459916220 650435398 /nfs/dbraw/zinc/43/53/98/650435398.db2.gz IHAFQAIZUQRALK-INIZCTEOSA-N 1 0 396.329 2.350 20 0 GEADRO CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)c1nccs1 ZINC000505204792 650436135 /nfs/dbraw/zinc/43/61/35/650436135.db2.gz QSFYHXLRXIBDOY-AWEZNQCLSA-N 1 0 380.539 2.362 20 0 GEADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000505353219 650436983 /nfs/dbraw/zinc/43/69/83/650436983.db2.gz OCGRWVSAIOQGDJ-KRWDZBQOSA-N 1 0 375.579 2.158 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)c2cn3ccc(Br)cc3n2)C[C@@H](C)O1 ZINC000506141495 650443721 /nfs/dbraw/zinc/44/37/21/650443721.db2.gz XSNZIUZBOAAYOV-CHWSQXEVSA-N 1 0 395.301 2.326 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)Cc1ccccc1 ZINC000460779624 650445872 /nfs/dbraw/zinc/44/58/72/650445872.db2.gz DNQLCIPHXCUDOH-CQSZACIVSA-N 1 0 378.270 2.452 20 0 GEADRO C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000461339710 650452153 /nfs/dbraw/zinc/45/21/53/650452153.db2.gz BHISMAZVFBPXFV-JTQLQIEISA-N 1 0 386.461 2.233 20 0 GEADRO CCN1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)[C@@H](C)C1 ZINC000507336450 650458728 /nfs/dbraw/zinc/45/87/28/650458728.db2.gz LVTUSCMIFSPUKN-VIFPVBQESA-N 1 0 390.228 2.218 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000462016525 650464130 /nfs/dbraw/zinc/46/41/30/650464130.db2.gz QYZSSYPKCKODLM-HNNXBMFYSA-N 1 0 399.285 2.076 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(Br)cn1 ZINC000462279473 650473494 /nfs/dbraw/zinc/47/34/94/650473494.db2.gz KUBCSRRUYDWAPU-VXGBXAGGSA-N 1 0 376.320 2.385 20 0 GEADRO C[NH+]1CCC(CNC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000508079139 650473625 /nfs/dbraw/zinc/47/36/25/650473625.db2.gz XMYWMBNGAIDQOG-UHFFFAOYSA-N 1 0 382.302 2.027 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000462293750 650473640 /nfs/dbraw/zinc/47/36/40/650473640.db2.gz VMMJWSOJMTXDRS-HNNXBMFYSA-N 1 0 386.901 2.376 20 0 GEADRO O=C(NCCCCC[NH+]1CCCC1)c1cnn2cc(Br)cnc12 ZINC000508227310 650477650 /nfs/dbraw/zinc/47/76/50/650477650.db2.gz SBYRIBXCQZNABH-UHFFFAOYSA-N 1 0 380.290 2.488 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462395057 650477946 /nfs/dbraw/zinc/47/79/46/650477946.db2.gz GCRKGRJYUOQQEY-ZDUSSCGKSA-N 1 0 381.242 2.101 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000462902667 650492461 /nfs/dbraw/zinc/49/24/61/650492461.db2.gz OOFHLZUEFOQHJJ-UHFFFAOYSA-N 1 0 392.859 2.388 20 0 GEADRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c(C(F)F)n1 ZINC000462903482 650492517 /nfs/dbraw/zinc/49/25/17/650492517.db2.gz SICLHZJJRAISOY-UHFFFAOYSA-N 1 0 396.822 2.218 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[N@H+](C)CCc2cccc(Br)c2)C[C@@H](C)O1 ZINC000463414796 650495161 /nfs/dbraw/zinc/49/51/61/650495161.db2.gz NXMWXKMMUAHZBV-IIDMSEBBSA-N 1 0 385.346 2.394 20 0 GEADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)C[C@@H](C)C(=O)OC)c1ccc(Cl)cc1 ZINC000509623118 650497438 /nfs/dbraw/zinc/49/74/38/650497438.db2.gz DPGHYSUUWNQMFA-CJNGLKHVSA-N 1 0 390.933 2.451 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000465656910 650498633 /nfs/dbraw/zinc/49/86/33/650498633.db2.gz JBLRLSQWSOXACF-SMDDNHRTSA-N 1 0 383.290 2.170 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000509820770 650501115 /nfs/dbraw/zinc/50/11/15/650501115.db2.gz RUUSCQDILZYKEJ-JTQLQIEISA-N 1 0 384.267 2.184 20 0 GEADRO C[C@H]([C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)S(C)(=O)=O ZINC000468085592 650503567 /nfs/dbraw/zinc/50/35/67/650503567.db2.gz JHAGZCARBKJJTJ-HUUCEWRRSA-N 1 0 384.567 2.286 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)s1 ZINC000468662310 650506130 /nfs/dbraw/zinc/50/61/30/650506130.db2.gz NRPHYTFAMOTDQN-AWEZNQCLSA-N 1 0 385.555 2.215 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000468769154 650506785 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COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000475526953 650534530 /nfs/dbraw/zinc/53/45/30/650534530.db2.gz NKQXUBNKPIUOEX-UHFFFAOYSA-N 1 0 390.933 2.470 20 0 GEADRO O=C(NCC[NH+]1CCC1)NCc1ccc(I)cc1Cl ZINC000475684467 650536284 /nfs/dbraw/zinc/53/62/84/650536284.db2.gz KLGJORRQOHXRJH-UHFFFAOYSA-N 1 0 393.656 2.450 20 0 GEADRO Brc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c(N2CCOCC2)c1 ZINC000475712516 650536571 /nfs/dbraw/zinc/53/65/71/650536571.db2.gz FTQPDTFCVLAQKN-WMLDXEAASA-N 1 0 380.330 2.470 20 0 GEADRO CN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)C1=O ZINC000511575036 650538921 /nfs/dbraw/zinc/53/89/21/650538921.db2.gz MFYLDXDMRQEVMN-AAEUAGOBSA-N 1 0 391.693 2.005 20 0 GEADRO C[NH+](C)C1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000511587180 650539108 /nfs/dbraw/zinc/53/91/08/650539108.db2.gz RNRMBLSISUDRHO-UHFFFAOYSA-N 1 0 393.962 2.061 20 0 GEADRO CC[N@@H+]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000511614048 650539483 /nfs/dbraw/zinc/53/94/83/650539483.db2.gz ZIAMJNBJYLIWJB-DOMZBBRYSA-N 1 0 375.282 2.354 20 0 GEADRO CN(C(=O)NCc1cn2cc(Br)ccc2n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476128999 650544680 /nfs/dbraw/zinc/54/46/80/650544680.db2.gz BHUGIHJPDYFHHJ-HNNXBMFYSA-N 1 0 392.301 2.475 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000476273718 650547583 /nfs/dbraw/zinc/54/75/83/650547583.db2.gz HITPBQBFCZKBNR-CQSZACIVSA-N 1 0 397.317 2.492 20 0 GEADRO O=C(NCc1cn2cc(Br)ccc2n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000476157800 650545209 /nfs/dbraw/zinc/54/52/09/650545209.db2.gz OSAKBDVAWONZNN-AWEZNQCLSA-N 1 0 378.274 2.086 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000512083711 650545221 /nfs/dbraw/zinc/54/52/21/650545221.db2.gz LOGKIJWFHFHGES-MCIONIFRSA-N 1 0 394.313 2.353 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c(Br)c1 ZINC000512404873 650547548 /nfs/dbraw/zinc/54/75/48/650547548.db2.gz VSWDPONPYMWLOP-SWLSCSKDSA-N 1 0 391.331 2.265 20 0 GEADRO CSC1(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000512744442 650553578 /nfs/dbraw/zinc/55/35/78/650553578.db2.gz LVUUYYAAEGSTOL-DZGCQCFKSA-N 1 0 381.567 2.259 20 0 GEADRO CSC1(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000512744444 650553716 /nfs/dbraw/zinc/55/37/16/650553716.db2.gz LVUUYYAAEGSTOL-UKRRQHHQSA-N 1 0 381.567 2.259 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000513034474 650556554 /nfs/dbraw/zinc/55/65/54/650556554.db2.gz BFIQIVYYJPCPHN-GFCCVEGCSA-N 1 0 379.295 2.492 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2cccn2C)c1 ZINC000513105941 650557847 /nfs/dbraw/zinc/55/78/47/650557847.db2.gz FDHMZZFKYUHILV-UHFFFAOYSA-N 1 0 386.315 2.164 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)NCc1cc(F)cc(Br)c1)C(C)C ZINC000476795088 650559951 /nfs/dbraw/zinc/55/99/51/650559951.db2.gz QTEBEPOCUDCOPQ-UHFFFAOYSA-N 1 0 388.281 2.051 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(Br)o1)C(C)(C)C[NH+](C)C ZINC000513483159 650563845 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CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000477247208 650573142 /nfs/dbraw/zinc/57/31/42/650573142.db2.gz HPMQRPHMWCJUST-SWLSCSKDSA-N 1 0 399.333 2.271 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1CC(F)(F)F ZINC000477474349 650574740 /nfs/dbraw/zinc/57/47/40/650574740.db2.gz IFPRUWXSGINOLH-CYBMUJFWSA-N 1 0 379.448 2.005 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000514605674 650574987 /nfs/dbraw/zinc/57/49/87/650574987.db2.gz RJOVFLQPPHATLO-JTQLQIEISA-N 1 0 380.539 2.362 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000477499533 650575060 /nfs/dbraw/zinc/57/50/60/650575060.db2.gz OGYRRYXAJNRDHV-MRXNPFEDSA-N 1 0 395.345 2.373 20 0 GEADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CCN2C1=O ZINC000514799257 650579721 /nfs/dbraw/zinc/57/97/21/650579721.db2.gz QHXNJNIGQMNCLM-BXKDBHETSA-N 1 0 376.766 2.135 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477966991 650580566 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CSC[C@@H](O)C[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000478365829 650584579 /nfs/dbraw/zinc/58/45/79/650584579.db2.gz CMJJBFYQFVXRPR-AWEZNQCLSA-N 1 0 377.323 2.430 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[N@H+](C)C(C)(C)C1 ZINC000515068448 650585955 /nfs/dbraw/zinc/58/59/55/650585955.db2.gz JNRSDBPIVCLXHX-UHFFFAOYSA-N 1 0 398.345 2.312 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000515645995 650593248 /nfs/dbraw/zinc/59/32/48/650593248.db2.gz OXLVCFDSTKHVHM-JSGCOSHPSA-N 1 0 388.295 2.359 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CCO1 ZINC000478727136 650590747 /nfs/dbraw/zinc/59/07/47/650590747.db2.gz SPMMFTQSADSKJV-HNNXBMFYSA-N 1 0 392.253 2.436 20 0 GEADRO C[C@H]([NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000515367570 650592948 /nfs/dbraw/zinc/59/29/48/650592948.db2.gz MVQZKTSRIVTMLC-YNZJMPHRSA-N 1 0 388.892 2.212 20 0 GEADRO C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ncc(Br)cn1 ZINC000515621119 650593057 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2.317 20 0 GEADRO CSC[C@@H](CCO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480169888 650616794 /nfs/dbraw/zinc/61/67/94/650616794.db2.gz MYIVAASXSZMTNJ-YPMHNXCESA-N 1 0 394.356 2.371 20 0 GEADRO CSC[C@@H](CCO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480169885 650616798 /nfs/dbraw/zinc/61/67/98/650616798.db2.gz MYIVAASXSZMTNJ-DGCLKSJQSA-N 1 0 394.356 2.371 20 0 GEADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000521410963 650616983 /nfs/dbraw/zinc/61/69/83/650616983.db2.gz MJCRNYCSAAPMHF-FZMZJTMJSA-N 1 0 385.295 2.116 20 0 GEADRO C[C@H](CN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000521999739 650621367 /nfs/dbraw/zinc/62/13/67/650621367.db2.gz UYSSYJMSLOGWOP-IAQYHMDHSA-N 1 0 388.295 2.087 20 0 GEADRO C[C@H](CN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000521999738 650621414 /nfs/dbraw/zinc/62/14/14/650621414.db2.gz UYSSYJMSLOGWOP-ABAIWWIYSA-N 1 0 388.295 2.087 20 0 GEADRO CC[NH+]1CCN(CC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC1 ZINC000480440019 650621859 /nfs/dbraw/zinc/62/18/59/650621859.db2.gz APKBMNXEOKXDNT-FUHWJXTLSA-N 1 0 386.323 2.047 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000522171895 650623158 /nfs/dbraw/zinc/62/31/58/650623158.db2.gz KVKJEBSPWIGBPH-GFCCVEGCSA-N 1 0 391.281 2.392 20 0 GEADRO CC(C)C[C@@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[NH+](C)C ZINC000522265523 650624443 /nfs/dbraw/zinc/62/44/43/650624443.db2.gz RNAJOHWXIROOHJ-ZDUSSCGKSA-N 1 0 375.922 2.418 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000480571144 650624796 /nfs/dbraw/zinc/62/47/96/650624796.db2.gz HFFFERPMQOCXQG-VXGBXAGGSA-N 1 0 388.281 2.185 20 0 GEADRO C[NH+](C)C1CN(C(=O)c2ccc3cc(I)ccc3n2)C1 ZINC000480580922 650625056 /nfs/dbraw/zinc/62/50/56/650625056.db2.gz OFIVRTDHLFBVHJ-UHFFFAOYSA-N 1 0 381.217 2.225 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000522433690 650625136 /nfs/dbraw/zinc/62/51/36/650625136.db2.gz DCSQPKLRRHPPMD-AWEZNQCLSA-N 1 0 387.933 2.143 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1SC ZINC000522773183 650627842 /nfs/dbraw/zinc/62/78/42/650627842.db2.gz SUFVFPPHZPDXLQ-CYBMUJFWSA-N 1 0 385.917 2.227 20 0 GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000480686120 650627857 /nfs/dbraw/zinc/62/78/57/650627857.db2.gz BNNOFQMKSLNGSL-NSHDSACASA-N 1 0 379.320 2.466 20 0 GEADRO CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000523201136 650632750 /nfs/dbraw/zinc/63/27/50/650632750.db2.gz HDTGRQAGZBIGCA-ZDUSSCGKSA-N 1 0 394.313 2.403 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Br)c1 ZINC000480808830 650633098 /nfs/dbraw/zinc/63/30/98/650633098.db2.gz DFYDTMILVLDBBN-GHMZBOCLSA-N 1 0 389.315 2.361 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000480855823 650634905 /nfs/dbraw/zinc/63/49/05/650634905.db2.gz JFSIAZSXFVJKSM-YMTOWFKASA-N 1 0 377.279 2.349 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000523593913 650636356 /nfs/dbraw/zinc/63/63/56/650636356.db2.gz SCWFLUWIEVXKSB-LBPRGKRZSA-N 1 0 384.274 2.114 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000523597129 650636508 /nfs/dbraw/zinc/63/65/08/650636508.db2.gz XMTRFSOMFZQYPD-LLVKDONJSA-N 1 0 386.290 2.360 20 0 GEADRO CS[C@H](CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(C)(C)C ZINC000480884267 650636600 /nfs/dbraw/zinc/63/66/00/650636600.db2.gz WQPBOXKHFDWJCR-CQSZACIVSA-N 1 0 376.592 2.118 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)COc1ccc(I)cc1 ZINC000523623510 650636771 /nfs/dbraw/zinc/63/67/71/650636771.db2.gz KWUXVUYRFNTMFC-UHFFFAOYSA-N 1 0 376.238 2.126 20 0 GEADRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000481095747 650640833 /nfs/dbraw/zinc/64/08/33/650640833.db2.gz YBEIQCAAKDEDET-OAHLLOKOSA-N 1 0 384.299 2.302 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCc2cccc(Br)c2)C1 ZINC000524420054 650641628 /nfs/dbraw/zinc/64/16/28/650641628.db2.gz NYBNYDXZNVTLDW-OAHLLOKOSA-N 1 0 396.329 2.085 20 0 GEADRO 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/nfs/dbraw/zinc/65/80/41/650658041.db2.gz VHKCPTCABIAHGJ-UHFFFAOYSA-N 1 0 392.302 2.252 20 0 GEADRO C[N@@H+]1CCCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000525813081 650658128 /nfs/dbraw/zinc/65/81/28/650658128.db2.gz OKJSEJYULXNZLV-UHFFFAOYSA-N 1 0 380.798 2.480 20 0 GEADRO Cn1c2ccc(C[NH2+]Cc3ccc(NS(C)(=O)=O)cc3)cc2sc1=O ZINC000525982049 650662137 /nfs/dbraw/zinc/66/21/37/650662137.db2.gz LZUWVIKXXSOXKS-UHFFFAOYSA-N 1 0 377.491 2.261 20 0 GEADRO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000482226920 650662523 /nfs/dbraw/zinc/66/25/23/650662523.db2.gz BHURLASEUMKAAW-GOSISDBHSA-N 1 0 384.929 2.424 20 0 GEADRO CSc1nnc(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000527087581 650668683 /nfs/dbraw/zinc/66/86/83/650668683.db2.gz DYXDIYBBQCUWLE-UHFFFAOYSA-N 1 0 385.559 2.094 20 0 GEADRO CCOC(=O)c1csc([C@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CCSC2)n1 ZINC000482926257 650671258 /nfs/dbraw/zinc/67/12/58/650671258.db2.gz IXTOTSWDOOXMOV-GXTWGEPZSA-N 1 0 383.539 2.421 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000527358549 650674475 /nfs/dbraw/zinc/67/44/75/650674475.db2.gz KSUOBMJLRPJWLE-UWVGGRQHSA-N 1 0 387.449 2.146 20 0 GEADRO Cc1nccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c1Br ZINC000527369116 650674994 /nfs/dbraw/zinc/67/49/94/650674994.db2.gz DFGFEGFFERBSHD-UHFFFAOYSA-N 1 0 379.258 2.162 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483352001 650677284 /nfs/dbraw/zinc/67/72/84/650677284.db2.gz JKRPSVLXNGMYON-HUUCEWRRSA-N 1 0 396.329 2.397 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H](O)Cc2c(F)cccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000483387888 650678031 /nfs/dbraw/zinc/67/80/31/650678031.db2.gz CIFBDAXDMQNXNF-BRWVUGGUSA-N 1 0 386.920 2.421 20 0 GEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@]3(C)Br)cc2)CC1 ZINC000527973047 650683895 /nfs/dbraw/zinc/68/38/95/650683895.db2.gz HCPPHULRUICRQK-AEFFLSMTSA-N 1 0 380.330 2.224 20 0 GEADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ccc(Br)cc1F ZINC000527753059 650682003 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C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Br)C1CC1 ZINC000483878493 650682702 /nfs/dbraw/zinc/68/27/02/650682702.db2.gz IEESSCLRWVYNCA-LBPRGKRZSA-N 1 0 388.693 2.497 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000483926105 650683132 /nfs/dbraw/zinc/68/31/32/650683132.db2.gz QJYAUILSQSEMGY-JTQLQIEISA-N 1 0 384.249 2.188 20 0 GEADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000484611277 650687770 /nfs/dbraw/zinc/68/77/70/650687770.db2.gz BTCRJMTZAXXBQL-LSDHHAIUSA-N 1 0 375.296 2.436 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000484620465 650687905 /nfs/dbraw/zinc/68/79/05/650687905.db2.gz PECXMLPQZWLKDY-HZUKXOBISA-N 1 0 382.302 2.212 20 0 GEADRO CS[C@@H]1CN(CC(=O)Nc2nc3c(s2)CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000484649960 650688678 /nfs/dbraw/zinc/68/86/78/650688678.db2.gz LYQRACLRNMHISO-GOEBONIOSA-N 1 0 380.583 2.472 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)C1CCS(=O)(=O)CC1 ZINC000527991066 650684012 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O=C(NCCN1CC[NH2+]CC1)Nc1cc(Cl)c(Br)cc1F ZINC000528698573 650698286 /nfs/dbraw/zinc/69/82/86/650698286.db2.gz VWNAULHELYAHKM-UHFFFAOYSA-N 1 0 379.661 2.268 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc(O)cc(Br)c2)ccc1=O ZINC000528898943 650698469 /nfs/dbraw/zinc/69/84/69/650698469.db2.gz GHLWXPOQNGVTRB-UHFFFAOYSA-N 1 0 380.242 2.130 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000485695063 650699134 /nfs/dbraw/zinc/69/91/34/650699134.db2.gz KGHPRZOLYSNGQJ-CZUORRHYSA-N 1 0 390.274 2.073 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c(OC)s1 ZINC000485698573 650699138 /nfs/dbraw/zinc/69/91/38/650699138.db2.gz VQMJLQKIEDRMLW-CHWSQXEVSA-N 1 0 380.304 2.429 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c(OC)s1 ZINC000485698576 650699267 /nfs/dbraw/zinc/69/92/67/650699267.db2.gz VQMJLQKIEDRMLW-STQMWFEESA-N 1 0 380.304 2.429 20 0 GEADRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000485826345 650701057 /nfs/dbraw/zinc/70/10/57/650701057.db2.gz 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ZINC000529350466 650703620 /nfs/dbraw/zinc/70/36/20/650703620.db2.gz JQJPRIWVEHIKTO-KGLIPLIRSA-N 1 0 386.265 2.205 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486050153 650706264 /nfs/dbraw/zinc/70/62/64/650706264.db2.gz CLNNVDQSXQUWMP-OCCSQVGLSA-N 1 0 382.302 2.400 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1Br ZINC000529911709 650709244 /nfs/dbraw/zinc/70/92/44/650709244.db2.gz YMZXSNFWYABFCP-UHFFFAOYSA-N 1 0 398.301 2.185 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529909812 650709307 /nfs/dbraw/zinc/70/93/07/650709307.db2.gz YPBAPSUENCHKAB-UHFFFAOYSA-N 1 0 398.301 2.185 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(I)cn1 ZINC000530023608 650710769 /nfs/dbraw/zinc/71/07/69/650710769.db2.gz WCRDVSZLITUQMN-ZDUSSCGKSA-N 1 0 385.249 2.433 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000486362811 650712345 /nfs/dbraw/zinc/71/23/45/650712345.db2.gz VZJZOGDLEVMYNO-MWLCHTKSSA-N 1 0 379.404 2.213 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)CN(C)S(=O)(=O)CC)c1ccccc1Cl ZINC000486622588 650716618 /nfs/dbraw/zinc/71/66/18/650716618.db2.gz BEFJIKWOIGJQCN-MRXNPFEDSA-N 1 0 389.949 2.121 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(Br)c(F)c2F)C1 ZINC000530213028 650718134 /nfs/dbraw/zinc/71/81/34/650718134.db2.gz UDSWGELTVZBZQP-LLVKDONJSA-N 1 0 376.245 2.014 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000486701189 650719509 /nfs/dbraw/zinc/71/95/09/650719509.db2.gz KJNDMBFBCQDDLM-WMLDXEAASA-N 1 0 380.330 2.291 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCc1cn2c(n1)SCC2 ZINC000530360398 650723158 /nfs/dbraw/zinc/72/31/58/650723158.db2.gz XVZCIPPWIHGZNW-ZDUSSCGKSA-N 1 0 380.539 2.146 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]CCc2cnccn2)c2cc(Br)ccc21 ZINC000530360399 650723197 /nfs/dbraw/zinc/72/31/97/650723197.db2.gz YPOOFLCDGCWBQJ-AWEZNQCLSA-N 1 0 382.283 2.290 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000530375938 650724197 /nfs/dbraw/zinc/72/41/97/650724197.db2.gz XNSUKVKJMNLHFU-LLVKDONJSA-N 1 0 377.304 2.078 20 0 GEADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2scnc2C2CC2)cc1 ZINC000486934404 650725622 /nfs/dbraw/zinc/72/56/22/650725622.db2.gz BMIBKSWYJFPCTC-UHFFFAOYSA-N 1 0 381.523 2.235 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)nc12 ZINC000487143753 650729572 /nfs/dbraw/zinc/72/95/72/650729572.db2.gz XHHNLZIDYHIVER-SWLSCSKDSA-N 1 0 379.302 2.262 20 0 GEADRO CC[C@H](C(=O)NCCNC(=O)c1cccc(Br)c1)[NH+](CC)CC ZINC000531048610 650733938 /nfs/dbraw/zinc/73/39/38/650733938.db2.gz CSEDZYYSYDMEKV-OAHLLOKOSA-N 1 0 384.318 2.416 20 0 GEADRO COc1cc(Cl)c(Cl)cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000487733525 650737330 /nfs/dbraw/zinc/73/73/30/650737330.db2.gz ULPCNMILCFMBRQ-NSHDSACASA-N 1 0 388.295 2.319 20 0 GEADRO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000531395750 650738073 /nfs/dbraw/zinc/73/80/73/650738073.db2.gz HYENYPOUJBCTFS-CYBMUJFWSA-N 1 0 383.286 2.252 20 0 GEADRO O=S(=O)(NCCN1CCCCC1)c1cnc(Cl)c(Br)c1 ZINC000002448702 642320516 /nfs/dbraw/zinc/32/05/16/642320516.db2.gz PGDRCAAREBYZPV-UHFFFAOYSA-N 1 0 382.711 2.262 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000007369653 642338282 /nfs/dbraw/zinc/33/82/82/642338282.db2.gz MDZJUYZIJHAIKT-UHFFFAOYSA-N 1 0 384.571 2.099 20 0 GEADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000532107400 650744586 /nfs/dbraw/zinc/74/45/86/650744586.db2.gz FALPCNZRHNDHJY-GFCCVEGCSA-N 1 0 385.917 2.309 20 0 GEADRO NC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1 ZINC000531702452 650743047 /nfs/dbraw/zinc/74/30/47/650743047.db2.gz XHVBVNDALKEONQ-CQSZACIVSA-N 1 0 379.254 2.078 20 0 GEADRO COC[C@](C)(O)C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000531711939 650743054 /nfs/dbraw/zinc/74/30/54/650743054.db2.gz TWODUTRCBYUPPV-MEDUHNTESA-N 1 0 383.290 2.386 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000008351408 642351594 /nfs/dbraw/zinc/35/15/94/642351594.db2.gz QDMDGNPEXKTLDO-CYBMUJFWSA-N 1 0 387.933 2.242 20 0 GEADRO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000011229507 642367683 /nfs/dbraw/zinc/36/76/83/642367683.db2.gz APFCTAHHFWWGJX-LLVKDONJSA-N 1 0 384.274 2.136 20 0 GEADRO Cn1nnc2cc(C[NH2+]CCNC(=O)c3cccc(Br)c3)ccc21 ZINC000532209809 650746330 /nfs/dbraw/zinc/74/63/30/650746330.db2.gz VTHHYMWJRUXTDH-UHFFFAOYSA-N 1 0 388.269 2.250 20 0 GEADRO CCCN(CCC)S(=O)(=O)N1CC[NH+](C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000488560348 650748064 /nfs/dbraw/zinc/74/80/64/650748064.db2.gz OXDPEVLDPMMIQQ-MSOLQXFVSA-N 1 0 375.579 2.176 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cnc3cccc(C)n23)c(C)s1 ZINC000532495452 650748946 /nfs/dbraw/zinc/74/89/46/650748946.db2.gz DRIUMOSLQUMRLT-UHFFFAOYSA-N 1 0 378.523 2.389 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1sccc1Br ZINC000532521814 650749237 /nfs/dbraw/zinc/74/92/37/650749237.db2.gz TXKASCPBADRAMC-SECBINFHSA-N 1 0 394.316 2.269 20 0 GEADRO O=C1c2cc(Br)ccc2N(CN2CC[NH+](C3CCCC3)CC2)C1=O ZINC000026627302 642436364 /nfs/dbraw/zinc/43/63/64/642436364.db2.gz UBCZAKHLKJBCOP-UHFFFAOYSA-N 1 0 392.297 2.496 20 0 GEADRO O=C(NC[C@@H](O)C(F)F)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000489143156 650755326 /nfs/dbraw/zinc/75/53/26/650755326.db2.gz UXIXMAWQPBWBAQ-OAHLLOKOSA-N 1 0 375.847 2.477 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000489350891 650757919 /nfs/dbraw/zinc/75/79/19/650757919.db2.gz ANEPLBZOYQXZKG-DLBZAZTESA-N 1 0 398.345 2.408 20 0 GEADRO O=C(CSc1nnnn1C1CC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762730 642498097 /nfs/dbraw/zinc/49/80/97/642498097.db2.gz NHOALFRMMKDNCL-CYBMUJFWSA-N 1 0 378.527 2.115 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033085048 642501482 /nfs/dbraw/zinc/50/14/82/642501482.db2.gz ZJJOEULGMYFDMV-UHFFFAOYSA-N 1 0 380.897 2.492 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000035194488 642506302 /nfs/dbraw/zinc/50/63/02/642506302.db2.gz JTBDIAFJIWEWQO-INIZCTEOSA-N 1 0 381.929 2.457 20 0 GEADRO O=S(=O)(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000532770926 650753108 /nfs/dbraw/zinc/75/31/08/650753108.db2.gz PXUXUZNVENRJLR-MRXNPFEDSA-N 1 0 386.926 2.317 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000041275464 642527927 /nfs/dbraw/zinc/52/79/27/642527927.db2.gz AQKAQFBDWOTFKU-STQMWFEESA-N 1 0 398.301 2.003 20 0 GEADRO O=C(C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)NCc1ccco1 ZINC000533812722 650766259 /nfs/dbraw/zinc/76/62/59/650766259.db2.gz LRLRLDGFXBKASB-UHFFFAOYSA-N 1 0 381.226 2.219 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000490034117 650766761 /nfs/dbraw/zinc/76/67/61/650766761.db2.gz TVLIYVGNRSFJIE-OAHLLOKOSA-N 1 0 389.315 2.222 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000490032310 650766769 /nfs/dbraw/zinc/76/67/69/650766769.db2.gz KPRBVFPIBRUZOA-NSHDSACASA-N 1 0 379.320 2.075 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1Cl ZINC000490027989 650766773 /nfs/dbraw/zinc/76/67/73/650766773.db2.gz CECVXDOEAUQSPW-NSHDSACASA-N 1 0 399.340 2.495 20 0 GEADRO COC(=O)CN(C)C(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000533355416 650760292 /nfs/dbraw/zinc/76/02/92/650760292.db2.gz CLRQBJHEAJXXMS-UHFFFAOYSA-N 1 0 383.286 2.439 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C(C)C)cc1I ZINC000489646739 650760731 /nfs/dbraw/zinc/76/07/31/650760731.db2.gz ZFZHNRHCCDTMCH-UHFFFAOYSA-N 1 0 396.294 2.218 20 0 GEADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)CC[C@H]1CCCCN1C(C)=O ZINC000489673235 650761203 /nfs/dbraw/zinc/76/12/03/650761203.db2.gz XGBSDTDRWQFAFM-GOSISDBHSA-N 1 0 375.579 2.161 20 0 GEADRO C[NH+](C)CCNC(=S)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000044081906 642569034 /nfs/dbraw/zinc/56/90/34/642569034.db2.gz IGGMJWKTXGFDCA-UHFFFAOYSA-N 1 0 375.464 2.095 20 0 GEADRO Cc1cc(Cl)ccc1OCCCC(=O)NNC(=S)NCCC[NH+](C)C ZINC000044205174 642571573 /nfs/dbraw/zinc/57/15/73/642571573.db2.gz CYZDEEOKBJKAPK-UHFFFAOYSA-N 1 0 386.949 2.254 20 0 GEADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000044311484 642574986 /nfs/dbraw/zinc/57/49/86/642574986.db2.gz BGBBTXVRMRXSCJ-GJZGRUSLSA-N 1 0 387.571 2.061 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CSc1nnnn1C1CCCC1)c1cccs1 ZINC000044331842 642576304 /nfs/dbraw/zinc/57/63/04/642576304.db2.gz OVHMPBNNGIQHST-CYBMUJFWSA-N 1 0 380.543 2.361 20 0 GEADRO C[NH+](C)CCCNC(=S)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000044511942 642579987 /nfs/dbraw/zinc/57/99/87/642579987.db2.gz DWHGGHRDIGZGNS-UHFFFAOYSA-N 1 0 384.977 2.163 20 0 GEADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000044487033 642580086 /nfs/dbraw/zinc/58/00/86/642580086.db2.gz IPKXJZMHHSJURM-HOTGVXAUSA-N 1 0 387.571 2.061 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000045059091 642588117 /nfs/dbraw/zinc/58/81/17/642588117.db2.gz JQNMTKQWDMYCAV-AWEZNQCLSA-N 1 0 394.313 2.404 20 0 GEADRO CCN(CC)C(=O)COc1ccc(NC(=S)NCC[NH+](C)C)cc1Cl ZINC000046103504 642604003 /nfs/dbraw/zinc/60/40/03/642604003.db2.gz NRRVFRHUNDQMQS-UHFFFAOYSA-N 1 0 386.949 2.435 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCNc1ccc(C(F)(F)F)cn1 ZINC000046102970 642604229 /nfs/dbraw/zinc/60/42/29/642604229.db2.gz CVWCAGWBTPELQZ-ZDUSSCGKSA-N 1 0 375.464 2.461 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000046857636 642617741 /nfs/dbraw/zinc/61/77/41/642617741.db2.gz WZKOODUELMIMEY-CQSZACIVSA-N 1 0 385.555 2.137 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Cn1cc(Br)ccc1=O)C1CCCCC1 ZINC000046949613 642620120 /nfs/dbraw/zinc/62/01/20/642620120.db2.gz JPLCCRNVJKBRAQ-HNNXBMFYSA-N 1 0 384.318 2.238 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000046947002 642620250 /nfs/dbraw/zinc/62/02/50/642620250.db2.gz BXXJVSQQMMIXAW-LSDHHAIUSA-N 1 0 398.345 2.359 20 0 GEADRO O=C(Nc1ccc2cccc(Br)c2n1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000490395623 650771675 /nfs/dbraw/zinc/77/16/75/650771675.db2.gz BMGYTGNTGDBNOR-AWEZNQCLSA-N 1 0 375.270 2.326 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)cnc2c1Cl ZINC000534306332 650771828 /nfs/dbraw/zinc/77/18/28/650771828.db2.gz GUNQZLGWLZJNIY-VXGBXAGGSA-N 1 0 385.921 2.232 20 0 GEADRO C[N@H+](CC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCSC1 ZINC000534307831 650771929 /nfs/dbraw/zinc/77/19/29/650771929.db2.gz DFPIUYKTXLDQHA-DGCLKSJQSA-N 1 0 385.892 2.138 20 0 GEADRO CC(C)[NH+](CCNC(=O)CNC(=O)c1ccc(Br)s1)C(C)C ZINC000048179052 642645775 /nfs/dbraw/zinc/64/57/75/642645775.db2.gz VFMDKDVXALVAHR-UHFFFAOYSA-N 1 0 390.347 2.475 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H](C)C[NH+]1CCCC1 ZINC000048749232 642661499 /nfs/dbraw/zinc/66/14/99/642661499.db2.gz WQGOXTKWJSSBBY-UKRRQHHQSA-N 1 0 388.965 2.026 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163558 642677026 /nfs/dbraw/zinc/67/70/26/642677026.db2.gz VALCVKPMYREPQT-GHMZBOCLSA-N 1 0 377.304 2.124 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000050202900 642677830 /nfs/dbraw/zinc/67/78/30/642677830.db2.gz KDDQIZOYQXUYEP-ZDUSSCGKSA-N 1 0 396.285 2.093 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000050203965 642678492 /nfs/dbraw/zinc/67/84/92/642678492.db2.gz QVCWIYKJMQFKJD-CYBMUJFWSA-N 1 0 380.286 2.393 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000052561627 642721597 /nfs/dbraw/zinc/72/15/97/642721597.db2.gz UQSDFUBGBDBGGT-AWEZNQCLSA-N 1 0 383.290 2.171 20 0 GEADRO O=c1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)nc2ccc(Br)cn12 ZINC000052753158 642726778 /nfs/dbraw/zinc/72/67/78/642726778.db2.gz LTRZXASDRNUNNG-LBPRGKRZSA-N 1 0 378.270 2.458 20 0 GEADRO Cc1cc(N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)nc(N)[nH+]1 ZINC000054061187 642746900 /nfs/dbraw/zinc/74/69/00/642746900.db2.gz KDZRIRBNOVCZSF-UHFFFAOYSA-N 1 0 391.273 2.380 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H](C)[NH+]1CCCCC1 ZINC000054182363 642747600 /nfs/dbraw/zinc/74/76/00/642747600.db2.gz RLCAHQMOXFMRHI-UKRRQHHQSA-N 1 0 388.965 2.169 20 0 GEADRO CS[C@H]1CN(C(=O)c2csc(I)c2)C[C@@H]1[NH+](C)C ZINC000534828327 650780999 /nfs/dbraw/zinc/78/09/99/650780999.db2.gz YKPOPQLJSRGCQL-UWVGGRQHSA-N 1 0 396.319 2.470 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=S)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000054942718 642765136 /nfs/dbraw/zinc/76/51/36/642765136.db2.gz QBZBIOWCEFHIFJ-UHFFFAOYSA-N 1 0 375.325 2.396 20 0 GEADRO C[NH+](C)CCCNC(=S)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000054970617 642765526 /nfs/dbraw/zinc/76/55/26/642765526.db2.gz QMUWHRLEFKHJMU-UHFFFAOYSA-N 1 0 384.933 2.051 20 0 GEADRO C[NH+]1CCN(C[C@@H](NC(=O)CSCC(F)(F)F)c2ccccc2)CC1 ZINC000535586845 650788690 /nfs/dbraw/zinc/78/86/90/650788690.db2.gz RKGWNMNYAGWUNZ-OAHLLOKOSA-N 1 0 375.460 2.387 20 0 GEADRO COC(=O)[C@]1(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCSC1 ZINC000491078001 650782786 /nfs/dbraw/zinc/78/27/86/650782786.db2.gz UJKSCPYTOLPLHE-HFAKWTLXSA-N 1 0 382.448 2.060 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2Br)C[C@H]1[NH+](C)C ZINC000535621525 650789431 /nfs/dbraw/zinc/78/94/31/650789431.db2.gz PHXHIQNWXLPGOK-CHWSQXEVSA-N 1 0 393.372 2.424 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[N@H+](C)C1CC1 ZINC000057710752 642814667 /nfs/dbraw/zinc/81/46/67/642814667.db2.gz SHOVBWLYUDEKRU-CHWSQXEVSA-N 1 0 394.313 2.401 20 0 GEADRO Cc1cc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c(Cl)cc1F ZINC000535138015 650785315 /nfs/dbraw/zinc/78/53/15/650785315.db2.gz MAJYYQMROQWZLN-UHFFFAOYSA-N 1 0 387.864 2.312 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000060435141 642836816 /nfs/dbraw/zinc/83/68/16/642836816.db2.gz NHOQHOFOGJPLLI-XJKSGUPXSA-N 1 0 384.571 2.068 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000535154676 650786210 /nfs/dbraw/zinc/78/62/10/650786210.db2.gz OLQUIMZMDFZJAZ-CQSZACIVSA-N 1 0 393.285 2.085 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000062504035 642848446 /nfs/dbraw/zinc/84/84/46/642848446.db2.gz LVZJGKUXSZFEKX-LBPRGKRZSA-N 1 0 385.306 2.417 20 0 GEADRO O=C(COc1ccc(I)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000063116251 642852355 /nfs/dbraw/zinc/85/23/55/642852355.db2.gz WSISZKNQMMLHQU-LBPRGKRZSA-N 1 0 386.233 2.023 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1 ZINC000063159841 642853494 /nfs/dbraw/zinc/85/34/94/642853494.db2.gz ZZGRVHSNWFXGDQ-UHFFFAOYSA-N 1 0 377.304 2.078 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccccc1I ZINC000063195355 642854467 /nfs/dbraw/zinc/85/44/67/642854467.db2.gz JQJKVHDWGLCTFK-SMDDNHRTSA-N 1 0 387.265 2.431 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(I)cc1 ZINC000063194041 642854560 /nfs/dbraw/zinc/85/45/60/642854560.db2.gz YDLVOKMHLHETBT-ZWNOBZJWSA-N 1 0 394.278 2.182 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000535835377 650791343 /nfs/dbraw/zinc/79/13/43/650791343.db2.gz WEFDQIUNJCYDPE-UKRRQHHQSA-N 1 0 385.302 2.134 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000492829817 650792137 /nfs/dbraw/zinc/79/21/37/650792137.db2.gz LMFOYKGXCPFVKM-HZPDHXFCSA-N 1 0 390.311 2.171 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC3(CC2)OCCc2ccsc23)C1 ZINC000492950274 650792202 /nfs/dbraw/zinc/79/22/02/650792202.db2.gz IINCNMCUQVWNKA-HNNXBMFYSA-N 1 0 384.567 2.284 20 0 GEADRO CN(CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C(=O)c1ccc(Br)o1 ZINC000492876228 650792265 /nfs/dbraw/zinc/79/22/65/650792265.db2.gz VMWILTJFHIITFC-STQMWFEESA-N 1 0 398.301 2.057 20 0 GEADRO O=S(=O)(c1ccccc1)N1CCC[N@@H+](CCCOCC(F)(F)F)CC1 ZINC000064352881 642873600 /nfs/dbraw/zinc/87/36/00/642873600.db2.gz BAHVODVJJUHRCV-UHFFFAOYSA-N 1 0 380.432 2.352 20 0 GEADRO Cn1cnc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1Cl ZINC000065972454 642893427 /nfs/dbraw/zinc/89/34/27/642893427.db2.gz XQBQOZDGDUABMK-UHFFFAOYSA-N 1 0 392.859 2.104 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000066138622 642898752 /nfs/dbraw/zinc/89/87/52/642898752.db2.gz PQHSJDIRNRYXLN-LBPRGKRZSA-N 1 0 375.922 2.050 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000066149904 642899175 /nfs/dbraw/zinc/89/91/75/642899175.db2.gz NTSOWKOQCJFRPC-LBPRGKRZSA-N 1 0 375.922 2.050 20 0 GEADRO CCCC(=O)N1CSC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000066306283 642907442 /nfs/dbraw/zinc/90/74/42/642907442.db2.gz SNCLWMFQYCMACZ-HNNXBMFYSA-N 1 0 385.599 2.166 20 0 GEADRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000493704613 650796110 /nfs/dbraw/zinc/79/61/10/650796110.db2.gz HHHSHWPIKKNKHW-UHFFFAOYSA-N 1 0 378.489 2.471 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cccc(Cl)c1Br ZINC000493907338 650798676 /nfs/dbraw/zinc/79/86/76/650798676.db2.gz OBUNISWHZSRHJO-UHFFFAOYSA-N 1 0 399.738 2.349 20 0 GEADRO CN(CC(=O)N1CCCC[C@H]1C[NH+](C)C)C(=O)c1ccc(Br)o1 ZINC000066946718 642955236 /nfs/dbraw/zinc/95/52/36/642955236.db2.gz HIMOOOHBCNDQCQ-LBPRGKRZSA-N 1 0 386.290 2.057 20 0 GEADRO O[C@H](C[NH2+]Cc1ccccn1)COc1ccc(I)cc1 ZINC000066992931 642957462 /nfs/dbraw/zinc/95/74/62/642957462.db2.gz RAQPAMBLVKZFLQ-CQSZACIVSA-N 1 0 384.217 2.216 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000067865404 642978859 /nfs/dbraw/zinc/97/88/59/642978859.db2.gz CQQGXPAYQWEEJA-RDJZCZTQSA-N 1 0 394.313 2.369 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000068443069 642997470 /nfs/dbraw/zinc/99/74/70/642997470.db2.gz DCLDPIKNXBACCF-UHFFFAOYSA-N 1 0 386.290 2.153 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000068470152 643001037 /nfs/dbraw/zinc/00/10/37/643001037.db2.gz MBOQCYVOJNETJZ-LBPRGKRZSA-N 1 0 395.301 2.006 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000068782080 643011450 /nfs/dbraw/zinc/01/14/50/643011450.db2.gz KWKDTGWJPUEFOR-UHFFFAOYSA-N 1 0 387.933 2.147 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000068906637 643015707 /nfs/dbraw/zinc/01/57/07/643015707.db2.gz KKPLMOKHNGGBMB-UHFFFAOYSA-N 1 0 387.933 2.242 20 0 GEADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CC1 ZINC000068902686 643015783 /nfs/dbraw/zinc/01/57/83/643015783.db2.gz KDUSEIQHGZDWGV-ZDUSSCGKSA-N 1 0 387.571 2.488 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000069137956 643020898 /nfs/dbraw/zinc/02/08/98/643020898.db2.gz UUCDSBDRPRMRDS-CYBMUJFWSA-N 1 0 387.933 2.052 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C(=O)NC)c2Br)C1 ZINC000494404328 650806781 /nfs/dbraw/zinc/80/67/81/650806781.db2.gz PJFADWNBCFKDFM-LLVKDONJSA-N 1 0 383.290 2.272 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000069473851 643032575 /nfs/dbraw/zinc/03/25/75/643032575.db2.gz NTFDJFFJPGMBMV-LBPRGKRZSA-N 1 0 378.416 2.442 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1I ZINC000069529392 643034054 /nfs/dbraw/zinc/03/40/54/643034054.db2.gz DXVLKRDJQZNGAW-LBPRGKRZSA-N 1 0 388.249 2.132 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000069536732 643034947 /nfs/dbraw/zinc/03/49/47/643034947.db2.gz XAGKEHRTKFOPOF-UHFFFAOYSA-N 1 0 388.331 2.183 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000536833373 650808452 /nfs/dbraw/zinc/80/84/52/650808452.db2.gz MREQJPNDBJMHDR-MNOVXSKESA-N 1 0 377.304 2.189 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1Br ZINC000070177256 643049908 /nfs/dbraw/zinc/04/99/08/643049908.db2.gz KUWMNMHYDSERCX-ZWNOBZJWSA-N 1 0 377.304 2.206 20 0 GEADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)nc1 ZINC000536995572 650809430 /nfs/dbraw/zinc/80/94/30/650809430.db2.gz UNSCZQKSMBNZNE-CWRNSKLLSA-N 1 0 386.587 2.030 20 0 GEADRO CCN(CC(=O)Nc1ccc(I)cc1C)[C@@H]1CC[NH2+]C1 ZINC000071313802 643060328 /nfs/dbraw/zinc/06/03/28/643060328.db2.gz ODQKOOHTCFKVFD-CYBMUJFWSA-N 1 0 387.265 2.222 20 0 GEADRO C[C@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(C)(C)C[NH+](C)C ZINC000081732465 643064424 /nfs/dbraw/zinc/06/44/24/643064424.db2.gz SSVNTHMXXXISAZ-NSHDSACASA-N 1 0 375.922 2.418 20 0 GEADRO C[N@@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C[C@H](O)CN1CCOCC1 ZINC000093583189 643078299 /nfs/dbraw/zinc/07/82/99/643078299.db2.gz ZNKGLGHSGBVVQB-INIZCTEOSA-N 1 0 387.307 2.394 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000093912018 643082597 /nfs/dbraw/zinc/08/25/97/643082597.db2.gz SEYPQZGMGQGWHR-UHFFFAOYSA-N 1 0 388.921 2.195 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC([NH+]2CCCC2)CC1 ZINC000094101155 643086801 /nfs/dbraw/zinc/08/68/01/643086801.db2.gz OIYUGSAUKLFPPZ-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO CCC[NH+]1CCN(c2ccc(NC(=O)CCS(C)(=O)=O)cc2Cl)CC1 ZINC000097676642 643098225 /nfs/dbraw/zinc/09/82/25/643098225.db2.gz SBBGIPPLIMXPOQ-UHFFFAOYSA-N 1 0 387.933 2.245 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NCC[N@@H+](C)C(C)C)c1ccc(Br)cc1 ZINC000101961634 643119790 /nfs/dbraw/zinc/11/97/90/643119790.db2.gz RGCLIYVBDOTDNZ-INIZCTEOSA-N 1 0 384.318 2.473 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)ccc1OC)C1CC1 ZINC000102184004 643125091 /nfs/dbraw/zinc/12/50/91/643125091.db2.gz UDUJHKJFWWOAQH-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO C[C@H](CNC(=O)c1cc(Br)cnc1Cl)C[NH+]1CCN(C)CC1 ZINC000102489044 643128243 /nfs/dbraw/zinc/12/82/43/643128243.db2.gz XIGVPSMYVSYHRS-LLVKDONJSA-N 1 0 389.725 2.111 20 0 GEADRO CC[NH+](CC)CCNC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000102545809 643128959 /nfs/dbraw/zinc/12/89/59/643128959.db2.gz KQGHESDHWCUQQU-UHFFFAOYSA-N 1 0 399.333 2.210 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000103120188 643153799 /nfs/dbraw/zinc/15/37/99/643153799.db2.gz XPYVKFUAPSIDTP-UHFFFAOYSA-N 1 0 382.302 2.123 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc(Br)c(F)cc1F)[N@H+](C)C1CC1 ZINC000103160502 643157722 /nfs/dbraw/zinc/15/77/22/643157722.db2.gz SAKXZIOEOFRRAX-QMMMGPOBSA-N 1 0 383.258 2.488 20 0 GEADRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1)N1CCOCC1 ZINC000103465701 643167858 /nfs/dbraw/zinc/16/78/58/643167858.db2.gz WZABYDOVQVZIHT-DOTOQJQBSA-N 1 0 397.313 2.053 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000103563670 643169981 /nfs/dbraw/zinc/16/99/81/643169981.db2.gz WQYQUGYAYWDKGY-UHFFFAOYSA-N 1 0 397.317 2.467 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103632423 643171083 /nfs/dbraw/zinc/17/10/83/643171083.db2.gz HPTJOUUEHMQVSS-UHFFFAOYSA-N 1 0 398.301 2.196 20 0 GEADRO C[C@H](CNC(=O)c1cnn2cc(Br)cnc12)[N@@H+]1CCCC[C@@H]1C ZINC000537657385 650819923 /nfs/dbraw/zinc/81/99/23/650819923.db2.gz VWNAZQPEWQQTMA-NWDGAFQWSA-N 1 0 380.290 2.485 20 0 GEADRO CCN(C(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000104707729 643188514 /nfs/dbraw/zinc/18/85/14/643188514.db2.gz WWROBBFZFQFFAU-INIZCTEOSA-N 1 0 384.929 2.344 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCc2ccc(Cl)s2)CC1=O ZINC000105328731 643202798 /nfs/dbraw/zinc/20/27/98/643202798.db2.gz BEEZDUJQJKMTNB-ZIAGYGMSSA-N 1 0 383.945 2.393 20 0 GEADRO C[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1nc(C(F)(F)F)cs1 ZINC000495021621 650821139 /nfs/dbraw/zinc/82/11/39/650821139.db2.gz ZMWHVYRAUPCLQF-SNVBAGLBSA-N 1 0 380.436 2.226 20 0 GEADRO 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Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1Br ZINC000108618590 643279310 /nfs/dbraw/zinc/27/93/10/643279310.db2.gz BJZDQBYFPYVJDF-CQSZACIVSA-N 1 0 380.286 2.297 20 0 GEADRO CN(CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C(=O)c1ccc(Br)o1 ZINC000495782992 650827238 /nfs/dbraw/zinc/82/72/38/650827238.db2.gz DSSFMFLNZQMICA-ZDUSSCGKSA-N 1 0 398.301 2.105 20 0 GEADRO C[C@@H](CNC(=O)CNC(=O)c1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000109113242 643290144 /nfs/dbraw/zinc/29/01/44/643290144.db2.gz VXNYUEGHOVJJAW-KBPBESRZSA-N 1 0 396.329 2.416 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)CC1 ZINC000109244747 643291396 /nfs/dbraw/zinc/29/13/96/643291396.db2.gz ZRAWIJWNKZYNQR-UHFFFAOYSA-N 1 0 382.507 2.451 20 0 GEADRO O=C(NCC1CC[NH+](CCO)CC1)NCC(F)(F)c1ccc(Cl)cc1 ZINC000496575646 650830231 /nfs/dbraw/zinc/83/02/31/650830231.db2.gz UNSKEZKFFRYESH-UHFFFAOYSA-N 1 0 375.847 2.435 20 0 GEADRO CC[NH+](CC)CC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000110976942 643323712 /nfs/dbraw/zinc/32/37/12/643323712.db2.gz NNJHPXNEGOKSEW-UHFFFAOYSA-N 1 0 384.318 2.256 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000111339969 643334313 /nfs/dbraw/zinc/33/43/13/643334313.db2.gz WDXHSSCMNVPGNJ-UHFFFAOYSA-N 1 0 377.913 2.429 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112273637 643356512 /nfs/dbraw/zinc/35/65/12/643356512.db2.gz CGVJBGHDEABGAA-UHFFFAOYSA-N 1 0 393.285 2.461 20 0 GEADRO CCOc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000538276024 650833529 /nfs/dbraw/zinc/83/35/29/650833529.db2.gz MGEFUHIVNWFFIO-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)CC2 ZINC000112549123 643365156 /nfs/dbraw/zinc/36/51/56/643365156.db2.gz UCRJLNYDLDBUFG-IINYFYTJSA-N 1 0 378.274 2.281 20 0 GEADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)CC2 ZINC000112549126 643365267 /nfs/dbraw/zinc/36/52/67/643365267.db2.gz UCRJLNYDLDBUFG-HZMBPMFUSA-N 1 0 378.274 2.281 20 0 GEADRO CC[N@H+](C)CCNC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000112615964 643367342 /nfs/dbraw/zinc/36/73/42/643367342.db2.gz YDOFSOWIUAWQRD-HNNXBMFYSA-N 1 0 384.318 2.271 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000497325122 650834297 /nfs/dbraw/zinc/83/42/97/650834297.db2.gz XUTLSKZUTVZHTI-LRDDRELGSA-N 1 0 384.293 2.025 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000497325123 650834322 /nfs/dbraw/zinc/83/43/22/650834322.db2.gz XUTLSKZUTVZHTI-MLGOLLRUSA-N 1 0 384.293 2.025 20 0 GEADRO CC(C)C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)[NH+](C)C ZINC000114377982 643415867 /nfs/dbraw/zinc/41/58/67/643415867.db2.gz RDELPBWZSIOIBT-ZFWWWQNUSA-N 1 0 389.949 2.099 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000114400830 643417299 /nfs/dbraw/zinc/41/72/99/643417299.db2.gz KUGVSLVVHPCXOQ-KGLIPLIRSA-N 1 0 394.313 2.212 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114742397 643425579 /nfs/dbraw/zinc/42/55/79/643425579.db2.gz JLBVTCNFHVNDSF-OAHLLOKOSA-N 1 0 382.917 2.325 20 0 GEADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C1CC1 ZINC000114908152 643426896 /nfs/dbraw/zinc/42/68/96/643426896.db2.gz DBTCJMVUAHRPEA-JTQLQIEISA-N 1 0 398.120 2.227 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)[C@H](C)C1 ZINC000115592249 643443193 /nfs/dbraw/zinc/44/31/93/643443193.db2.gz QPXSTUMDOOGSDN-UKRRQHHQSA-N 1 0 375.922 2.150 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000115686265 643445411 /nfs/dbraw/zinc/44/54/11/643445411.db2.gz YLLBBCWSBAUVIJ-JTQLQIEISA-N 1 0 383.695 2.127 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[NH2+]CC1(C)C ZINC000115882398 643448103 /nfs/dbraw/zinc/44/81/03/643448103.db2.gz YUMDBBXVUDMYCO-UHFFFAOYSA-N 1 0 387.265 2.222 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000116377913 643461795 /nfs/dbraw/zinc/46/17/95/643461795.db2.gz CENMIBJGOIVIIF-UHFFFAOYSA-N 1 0 386.290 2.010 20 0 GEADRO C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000116525665 643465239 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O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000498658689 650861880 /nfs/dbraw/zinc/86/18/80/650861880.db2.gz OCLJPEDTLHOWIR-UHFFFAOYSA-N 1 0 391.269 2.148 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(C)c(Br)cc1F)C1CC1 ZINC000498668661 650862224 /nfs/dbraw/zinc/86/22/24/650862224.db2.gz SDPYJFAOWHJGDR-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)c1ccn[nH]1 ZINC000126609099 643737768 /nfs/dbraw/zinc/73/77/68/643737768.db2.gz PXTHOWVJRPPUCX-UHFFFAOYSA-N 1 0 393.285 2.445 20 0 GEADRO Cc1cc(Br)cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000126993460 643754126 /nfs/dbraw/zinc/75/41/26/643754126.db2.gz AQIBCIPUDSIDCK-INIZCTEOSA-N 1 0 396.329 2.430 20 0 GEADRO CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127052609 643756874 /nfs/dbraw/zinc/75/68/74/643756874.db2.gz DRIQCBKEYALKQH-LLVKDONJSA-N 1 0 392.253 2.410 20 0 GEADRO CC[NH+]1CCN(CC(=O)Nc2cc(OC)c(Br)c(OC)c2)CC1 ZINC000540560400 650864411 /nfs/dbraw/zinc/86/44/11/650864411.db2.gz OOMMFCDQUJWQBW-UHFFFAOYSA-N 1 0 386.290 2.042 20 0 GEADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1coc(Br)c1 ZINC000127246848 643765588 /nfs/dbraw/zinc/76/55/88/643765588.db2.gz OVFDWIFFUYDTND-CABCVRRESA-N 1 0 379.254 2.407 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3ccc(Br)c(O)c3)CC2)CC1 ZINC000127460392 643776241 /nfs/dbraw/zinc/77/62/41/643776241.db2.gz YXSDWJYXANRWQU-UHFFFAOYSA-N 1 0 396.329 2.443 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(Cl)s1 ZINC000127768962 643783808 /nfs/dbraw/zinc/78/38/08/643783808.db2.gz SBARKHULVHGMHD-UHFFFAOYSA-N 1 0 388.898 2.241 20 0 GEADRO Cc1ccc(OCCC(=O)NCCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000127774980 643784355 /nfs/dbraw/zinc/78/43/55/643784355.db2.gz RYHKMRVIKVFEKQ-UHFFFAOYSA-N 1 0 398.345 2.280 20 0 GEADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000127808586 643786329 /nfs/dbraw/zinc/78/63/29/643786329.db2.gz VNRGKRVZAFMKCW-UHFFFAOYSA-N 1 0 389.315 2.201 20 0 GEADRO Cc1ccc2ncc(C[NH2+]CCNS(=O)(=O)c3ccc(Cl)s3)n2c1 ZINC000127860741 643787945 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CC(=O)N[C@H](CC(=O)NCCCC[NH+](C)C)c1ccc(Br)cc1 ZINC000499229647 650876371 /nfs/dbraw/zinc/87/63/71/650876371.db2.gz POWQQJSCCGGFIN-MRXNPFEDSA-N 1 0 384.318 2.474 20 0 GEADRO C[C@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)[C@H]1CO ZINC000498991088 650870654 /nfs/dbraw/zinc/87/06/54/650870654.db2.gz XGAOXXCBAXLAQV-YOEHRIQHSA-N 1 0 399.329 2.379 20 0 GEADRO O=C(COc1ccc(Br)cc1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131280792 643869605 /nfs/dbraw/zinc/86/96/05/643869605.db2.gz PFYTVIHXWICFEC-HNNXBMFYSA-N 1 0 385.302 2.181 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(F)cccc1Cl ZINC000131398099 643872157 /nfs/dbraw/zinc/87/21/57/643872157.db2.gz WDTWFLYWDLTKBQ-UHFFFAOYSA-N 1 0 394.896 2.373 20 0 GEADRO CCOc1cc(CNC[C@@](C)(O)C[NH+](C)C)cc(Br)c1OC ZINC000131407735 643872639 /nfs/dbraw/zinc/87/26/39/643872639.db2.gz MGRJVKKEGJUJTE-MRXNPFEDSA-N 1 0 375.307 2.259 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C1 ZINC000541248055 650872564 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C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Cn1cc(Br)cn1 ZINC000499380005 650881613 /nfs/dbraw/zinc/88/16/13/650881613.db2.gz GXGKCYQOEQUYIA-UHFFFAOYSA-N 1 0 383.265 2.375 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nc3c(s2)CSCC3)C[C@@H]1C ZINC000499384404 650881639 /nfs/dbraw/zinc/88/16/39/650881639.db2.gz RBWFSBKZQWIOTC-RYUDHWBXSA-N 1 0 382.555 2.202 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000154167822 644023328 /nfs/dbraw/zinc/02/33/28/644023328.db2.gz OOJZEBCKHFIIQJ-OLZOCXBDSA-N 1 0 385.917 2.076 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000154218572 644026776 /nfs/dbraw/zinc/02/67/76/644026776.db2.gz IBFDSWWJSQMNKP-STQMWFEESA-N 1 0 387.933 2.321 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C[C@@H](C)[NH2+]1 ZINC000154280244 644031011 /nfs/dbraw/zinc/03/10/11/644031011.db2.gz CKTCBIBJLQUSPB-VXGBXAGGSA-N 1 0 387.933 2.239 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)CC[C@@H]21 ZINC000154346282 644037198 /nfs/dbraw/zinc/03/71/98/644037198.db2.gz NNFUZLDNHWHBEY-CJNGLKHVSA-N 1 0 385.917 2.268 20 0 GEADRO O=c1oc2cc(Br)ccc2n1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000154947971 644060970 /nfs/dbraw/zinc/06/09/70/644060970.db2.gz CRRVYSPUXGJZER-LBPRGKRZSA-N 1 0 392.257 2.318 20 0 GEADRO CN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000155801095 644082160 /nfs/dbraw/zinc/08/21/60/644082160.db2.gz STOZLXYRMLVWPM-CJNGLKHVSA-N 1 0 381.929 2.341 20 0 GEADRO C[C@H]1CCCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)[C@@H]1C[NH3+] ZINC000156621822 644108188 /nfs/dbraw/zinc/10/81/88/644108188.db2.gz AFIFGOGAQMNDSM-GXFFZTMASA-N 1 0 389.315 2.052 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)C1 ZINC000156849553 644121815 /nfs/dbraw/zinc/12/18/15/644121815.db2.gz FDVKNZHOIDNQKX-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO C[N@H+](CC(=O)N[C@H](CCO)c1ccccc1Br)[C@@H]1CCSC1 ZINC000542907044 650894115 /nfs/dbraw/zinc/89/41/15/650894115.db2.gz BPKYJKIJLHSCPH-IUODEOHRSA-N 1 0 387.343 2.426 20 0 GEADRO CN(CCC[NH3+])C(=O)c1ccc(Br)cc1I ZINC000158747293 644158338 /nfs/dbraw/zinc/15/83/38/644158338.db2.gz RRNKHTSQEZKBGQ-UHFFFAOYSA-N 1 0 397.054 2.475 20 0 GEADRO Cc1cc(C(=O)NCCCN2CC[NH2+]CC2)c2cc(Br)ccc2n1 ZINC000158763395 644158747 /nfs/dbraw/zinc/15/87/47/644158747.db2.gz CIWMQMYWTMYMLR-UHFFFAOYSA-N 1 0 391.313 2.331 20 0 GEADRO O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158859282 644163975 /nfs/dbraw/zinc/16/39/75/644163975.db2.gz SRMYCKNMOIHRFT-UGSOOPFHSA-N 1 0 392.297 2.014 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(Cc3nnnn3-c3ccccc3Br)CC[C@@H]21 ZINC000158897910 644166391 /nfs/dbraw/zinc/16/63/91/644166391.db2.gz CGOGNALMBHXSKE-ZFWWWQNUSA-N 1 0 391.317 2.341 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000159006271 644171739 /nfs/dbraw/zinc/17/17/39/644171739.db2.gz AATYPVIOLMDSLU-BBRMVZONSA-N 1 0 381.929 2.313 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000159006683 644171784 /nfs/dbraw/zinc/17/17/84/644171784.db2.gz AATYPVIOLMDSLU-CZUORRHYSA-N 1 0 381.929 2.313 20 0 GEADRO CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C1CCC([NH3+])CC1 ZINC000161404321 644210035 /nfs/dbraw/zinc/21/00/35/644210035.db2.gz ZBRILNXKKALTBJ-UHFFFAOYSA-N 1 0 389.315 2.195 20 0 GEADRO Cc1cc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(Cl)cc1F ZINC000161700911 644216031 /nfs/dbraw/zinc/21/60/31/644216031.db2.gz VJLHOIARFDGXHF-CYBMUJFWSA-N 1 0 378.897 2.303 20 0 GEADRO CCOC(=O)N1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000161821989 644221251 /nfs/dbraw/zinc/22/12/51/644221251.db2.gz KYZAVXAXEBTFFI-AWEZNQCLSA-N 1 0 384.274 2.186 20 0 GEADRO CC(C)C[C@H](C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)N1CCOCC1 ZINC000161873818 644223787 /nfs/dbraw/zinc/22/37/87/644223787.db2.gz YTKWAEBFBJNHLP-SJORKVTESA-N 1 0 398.345 2.312 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cccc(Br)c1 ZINC000162032460 644229850 /nfs/dbraw/zinc/22/98/50/644229850.db2.gz OYCVHSGVBNAPNA-AWEZNQCLSA-N 1 0 396.310 2.447 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000162043972 644230351 /nfs/dbraw/zinc/23/03/51/644230351.db2.gz YYUCBLDCRWPNDQ-ZIAGYGMSSA-N 1 0 385.917 2.124 20 0 GEADRO C[N@H+](CCO)C1CCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000162051163 644230369 /nfs/dbraw/zinc/23/03/69/644230369.db2.gz OAKDPNZJEZEPFI-UHFFFAOYSA-N 1 0 376.320 2.109 20 0 GEADRO CN1CCN(C(=O)CCCSc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000162369495 644235300 /nfs/dbraw/zinc/23/53/00/644235300.db2.gz SIHMEILEYSTPRP-CQSZACIVSA-N 1 0 386.359 2.423 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000162552247 644238585 /nfs/dbraw/zinc/23/85/85/644238585.db2.gz AHGOUFIONANKEN-INIZCTEOSA-N 1 0 384.293 2.327 20 0 GEADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163100583 644247930 /nfs/dbraw/zinc/24/79/30/644247930.db2.gz WQJYABNBDDXBPU-DOMZBBRYSA-N 1 0 393.285 2.131 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000163195195 644252253 /nfs/dbraw/zinc/25/22/53/644252253.db2.gz BXIUIEOUUNBELD-OLZOCXBDSA-N 1 0 379.448 2.130 20 0 GEADRO C[N@@H+](Cc1cc(Br)cc2cccnc21)C[C@H](O)CN1CCOCC1 ZINC000164315222 644262782 /nfs/dbraw/zinc/26/27/82/644262782.db2.gz YRWVJLILVYFWSJ-KRWDZBQOSA-N 1 0 394.313 2.122 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(CN3c4ccc(Br)cc4C(=O)C3=O)CC[C@@H]21 ZINC000164613968 644267294 /nfs/dbraw/zinc/26/72/94/644267294.db2.gz IZJGDOPHKZYPSH-DOMZBBRYSA-N 1 0 392.297 2.352 20 0 GEADRO COC(=O)c1nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1Br ZINC000164662407 644267899 /nfs/dbraw/zinc/26/78/99/644267899.db2.gz VIPQCAQBIHVDDB-OLZOCXBDSA-N 1 0 385.306 2.114 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000166067030 644272253 /nfs/dbraw/zinc/27/22/53/644272253.db2.gz SPFNRCHIRASVAN-KRWDZBQOSA-N 1 0 375.579 2.034 20 0 GEADRO CC1CC[NH+](CC(=O)NC[C@H](O)COc2ccccc2Br)CC1 ZINC000166492532 644276704 /nfs/dbraw/zinc/27/67/04/644276704.db2.gz YLKMIAHASJGHCO-AWEZNQCLSA-N 1 0 385.302 2.037 20 0 GEADRO COCC[N@H+](C)CCNC(=O)NCc1ccc(Br)cc1Cl ZINC000171202666 644316302 /nfs/dbraw/zinc/31/63/02/644316302.db2.gz JMNMLOVQALOHIK-UHFFFAOYSA-N 1 0 378.698 2.480 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccc(I)s1 ZINC000171202263 644316430 /nfs/dbraw/zinc/31/64/30/644316430.db2.gz PGDCDYZOXFUYTA-JTQLQIEISA-N 1 0 393.294 2.289 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC(=O)Nc3ccccc32)s1 ZINC000543424878 650911516 /nfs/dbraw/zinc/91/15/16/650911516.db2.gz HYXUVIFILODFPY-CQSZACIVSA-N 1 0 379.507 2.398 20 0 GEADRO Cc1cn2c(C[NH2+]CC3CCN(S(=O)(=O)C(F)F)CC3)c(C)nc2s1 ZINC000171842010 644333429 /nfs/dbraw/zinc/33/34/29/644333429.db2.gz GJZQKSSHXJXWFW-UHFFFAOYSA-N 1 0 392.497 2.367 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000173431131 644358066 /nfs/dbraw/zinc/35/80/66/644358066.db2.gz JXNFLOCYWKEOFU-MDWZMJQESA-N 1 0 391.331 2.308 20 0 GEADRO Brc1nc(Br)n(CN2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000175237388 644387184 /nfs/dbraw/zinc/38/71/84/644387184.db2.gz TUVBDARWTXZVAE-SNVBAGLBSA-N 1 0 393.127 2.178 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2cccn3c(I)cnc23)CC1 ZINC000177187973 644410195 /nfs/dbraw/zinc/41/01/95/644410195.db2.gz IFEJYWYXLZONBD-UHFFFAOYSA-N 1 0 398.248 2.011 20 0 GEADRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000178579834 644434499 /nfs/dbraw/zinc/43/44/99/644434499.db2.gz YSZPMQHBSSJVAR-KGLIPLIRSA-N 1 0 376.544 2.355 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)C1 ZINC000178589664 644435554 /nfs/dbraw/zinc/43/55/54/644435554.db2.gz AQQQNAGPBCFLLV-NSHDSACASA-N 1 0 390.285 2.328 20 0 GEADRO O=C(CSCC(F)(F)F)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000543707234 650920946 /nfs/dbraw/zinc/92/09/46/650920946.db2.gz HSBZRKZXJCHFEO-GJZGRUSLSA-N 1 0 376.444 2.281 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cccc3c2OCCO3)c(C)s1 ZINC000178942725 644446725 /nfs/dbraw/zinc/44/67/25/644446725.db2.gz QZIBYFDHVZCKMP-UHFFFAOYSA-N 1 0 382.507 2.204 20 0 GEADRO Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(Br)c1 ZINC000179048066 644450991 /nfs/dbraw/zinc/45/09/91/644450991.db2.gz RGBAHBBMLFUMDP-UHFFFAOYSA-N 1 0 394.313 2.138 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000179361038 644457823 /nfs/dbraw/zinc/45/78/23/644457823.db2.gz KWIGUBLUOWSHSA-UHFFFAOYSA-N 1 0 392.301 2.444 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccnc1Br ZINC000179703144 644468800 /nfs/dbraw/zinc/46/88/00/644468800.db2.gz PUTJAAVJBSVXCW-GFCCVEGCSA-N 1 0 383.290 2.163 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)nc1C ZINC000179703215 644468948 /nfs/dbraw/zinc/46/89/48/644468948.db2.gz MTBWXIMYWRFUCL-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179904652 644479405 /nfs/dbraw/zinc/47/94/05/644479405.db2.gz PZOVORNSQBKXAV-UHFFFAOYSA-N 1 0 383.290 2.019 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)c(Br)n1 ZINC000179904617 644479442 /nfs/dbraw/zinc/47/94/42/644479442.db2.gz XHSNXQZCWJHITO-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000180121479 644490411 /nfs/dbraw/zinc/49/04/11/644490411.db2.gz KTTWBNYUAZEIIA-JTQLQIEISA-N 1 0 390.228 2.218 20 0 GEADRO CNC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000180590625 644509372 /nfs/dbraw/zinc/50/93/72/644509372.db2.gz XMHBLSUHNCKRMA-INIZCTEOSA-N 1 0 379.254 2.255 20 0 GEADRO CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000543938352 650928421 /nfs/dbraw/zinc/92/84/21/650928421.db2.gz WJBYHLHCMWPSSE-NSHDSACASA-N 1 0 394.269 2.089 20 0 GEADRO O=C(NCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)c1ccn[nH]1 ZINC000181138773 644525522 /nfs/dbraw/zinc/52/55/22/644525522.db2.gz OKRLRZOIOQLZGD-UHFFFAOYSA-N 1 0 389.257 2.082 20 0 GEADRO CC(C)C1(C[NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CC1 ZINC000181262695 644528888 /nfs/dbraw/zinc/52/88/88/644528888.db2.gz DSTZKBKTCVMGQD-AWEZNQCLSA-N 1 0 388.555 2.499 20 0 GEADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1Cl ZINC000181477494 644538049 /nfs/dbraw/zinc/53/80/49/644538049.db2.gz MHOGJQGUDQBYSO-MRXNPFEDSA-N 1 0 380.897 2.385 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000544184102 650936726 /nfs/dbraw/zinc/93/67/26/650936726.db2.gz WDPCISDHAOIVPL-UHFFFAOYSA-N 1 0 399.738 2.349 20 0 GEADRO CS[C@@H](C)c1nc(-c2cccc(S(=O)(=O)NCCC[NH+](C)C)c2)no1 ZINC000544302842 650939141 /nfs/dbraw/zinc/93/91/41/650939141.db2.gz FBISQAIURGNRQQ-LBPRGKRZSA-N 1 0 384.527 2.391 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(I)c(O)c3)[C@H]2C1 ZINC000544876473 650957317 /nfs/dbraw/zinc/95/73/17/650957317.db2.gz CWRGNYTVHWCTDC-MFKMUULPSA-N 1 0 386.233 2.163 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181821714 644947916 /nfs/dbraw/zinc/94/79/16/644947916.db2.gz AUAGLDZJMUYIDZ-NSHDSACASA-N 1 0 375.803 2.480 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)s1 ZINC000182059436 644956769 /nfs/dbraw/zinc/95/67/69/644956769.db2.gz HJQIZMDABOWYPT-BPNCWPANSA-N 1 0 376.931 2.227 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCO1 ZINC000182353699 644962107 /nfs/dbraw/zinc/96/21/07/644962107.db2.gz BSYYEOSDRCFXOQ-KGLIPLIRSA-N 1 0 376.425 2.169 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000183081099 644978853 /nfs/dbraw/zinc/97/88/53/644978853.db2.gz ZHPCCTRSCNTJMD-VXGBXAGGSA-N 1 0 381.420 2.174 20 0 GEADRO COc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1Br ZINC000183173211 644983473 /nfs/dbraw/zinc/98/34/73/644983473.db2.gz MKOANUURIKYBKW-GFCCVEGCSA-N 1 0 398.301 2.083 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000183195985 644986097 /nfs/dbraw/zinc/98/60/97/644986097.db2.gz OKIADONLQDUGRM-LLVKDONJSA-N 1 0 377.304 2.448 20 0 GEADRO CN(Cc1cc(Br)cn1C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183232424 644987617 /nfs/dbraw/zinc/98/76/17/644987617.db2.gz MUCPDHQNENJTEC-UHFFFAOYSA-N 1 0 395.301 2.395 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@@H]12 ZINC000185146828 645036364 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O[C@H](CN1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000187132259 645083430 /nfs/dbraw/zinc/08/34/30/645083430.db2.gz QLTHKZHLGUYTFH-CXAGYDPISA-N 1 0 387.293 2.276 20 0 GEADRO O[C@@H](CN1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000187132239 645083685 /nfs/dbraw/zinc/08/36/85/645083685.db2.gz QLTHKZHLGUYTFH-GUYCJALGSA-N 1 0 387.293 2.276 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000187175228 645084148 /nfs/dbraw/zinc/08/41/48/645084148.db2.gz OMTWZPSYOBPYLP-UHFFFAOYSA-N 1 0 386.265 2.293 20 0 GEADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cccc(Br)c1OC)CC2 ZINC000187295120 645087078 /nfs/dbraw/zinc/08/70/78/645087078.db2.gz NQNIZMLUHADVJU-GFCCVEGCSA-N 1 0 381.274 2.300 20 0 GEADRO CSC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000187872314 645098708 /nfs/dbraw/zinc/09/87/08/645098708.db2.gz SJCWMFXACXDCRW-LBPRGKRZSA-N 1 0 379.404 2.460 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1Br ZINC000188110091 645108250 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C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000545875837 650983184 /nfs/dbraw/zinc/98/31/84/650983184.db2.gz QSMRHCUCKDGQRJ-SNVBAGLBSA-N 1 0 375.803 2.338 20 0 GEADRO C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@]1(CO)CCOC1 ZINC000545894687 650984004 /nfs/dbraw/zinc/98/40/04/650984004.db2.gz CHIHKBCEXYBHNH-QGZVFWFLSA-N 1 0 378.270 2.489 20 0 GEADRO C[NH+](C)[C@H](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)C1CCCCC1 ZINC000191885271 645184455 /nfs/dbraw/zinc/18/44/55/645184455.db2.gz CGHBYFLDFXJKIR-CQSZACIVSA-N 1 0 382.452 2.234 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000546024876 650987509 /nfs/dbraw/zinc/98/75/09/650987509.db2.gz IJDXKUTVNNRODG-GFCCVEGCSA-N 1 0 385.917 2.235 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192344978 645200919 /nfs/dbraw/zinc/20/09/19/645200919.db2.gz AYYMFZYSSJJRDK-LLVKDONJSA-N 1 0 386.246 2.198 20 0 GEADRO COc1ccc(NC(=O)N2CCC[N@H+](C)CC2)c(I)c1 ZINC000192433122 645205872 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O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000193266336 645257749 /nfs/dbraw/zinc/25/77/49/645257749.db2.gz HNWJDJWTKZGSNY-KBPBESRZSA-N 1 0 388.917 2.033 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193303282 645263905 /nfs/dbraw/zinc/26/39/05/645263905.db2.gz MXEYOWONEZGBQJ-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000193410084 645270097 /nfs/dbraw/zinc/27/00/97/645270097.db2.gz PXQDKPYBTTYSGD-KWQFWETISA-N 1 0 397.722 2.387 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193416573 645270586 /nfs/dbraw/zinc/27/05/86/645270586.db2.gz HAXUWUBITTXARH-UMVBOHGHSA-N 1 0 388.917 2.032 20 0 GEADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(I)c(O)c1 ZINC000546211372 650995603 /nfs/dbraw/zinc/99/56/03/650995603.db2.gz HFUNYGMAAPVNDR-CYBMUJFWSA-N 1 0 388.249 2.409 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1Br ZINC000193493022 645278132 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C[C@H]1CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC[N@@H+]1CC(C)(C)O ZINC000194699656 645343515 /nfs/dbraw/zinc/34/35/15/645343515.db2.gz PBZPPTBHTRXOTR-LRDDRELGSA-N 1 0 397.313 2.056 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000194707052 645343935 /nfs/dbraw/zinc/34/39/35/645343935.db2.gz CCEDEERREUTJRI-IUODEOHRSA-N 1 0 380.286 2.012 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000194710465 645344436 /nfs/dbraw/zinc/34/44/36/645344436.db2.gz LYVTYPXZNLBCAD-ZDUSSCGKSA-N 1 0 387.933 2.241 20 0 GEADRO [NH3+][C@@H](CNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC000194729395 645345110 /nfs/dbraw/zinc/34/51/10/645345110.db2.gz SWTMBWCKCNCMLJ-NSHDSACASA-N 1 0 387.221 2.484 20 0 GEADRO [NH3+]CCCCNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000194740061 645346542 /nfs/dbraw/zinc/34/65/42/645346542.db2.gz OXCNWYDUNJPABE-UHFFFAOYSA-N 1 0 375.210 2.485 20 0 GEADRO O[C@H](CN1CCOCC1)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546588912 651003417 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CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(I)c(O)c1 ZINC000230894444 645401139 /nfs/dbraw/zinc/40/11/39/645401139.db2.gz QWDNBYAJRJHWMW-LBPRGKRZSA-N 1 0 376.238 2.313 20 0 GEADRO COCC[NH2+]CCNC(=O)c1ccc(Br)cc1Br ZINC000234661096 645407270 /nfs/dbraw/zinc/40/72/70/645407270.db2.gz BFZZBEWLUKKPKX-UHFFFAOYSA-N 1 0 380.080 2.177 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 ZINC000235509704 645408651 /nfs/dbraw/zinc/40/86/51/645408651.db2.gz VRULKRXTOYBIDZ-QPUJVOFHSA-N 1 0 392.091 2.400 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 ZINC000236179889 645410443 /nfs/dbraw/zinc/41/04/43/645410443.db2.gz GNRNSTDXVLGIHJ-VIFPVBQESA-N 1 0 378.064 2.011 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000236571739 645411739 /nfs/dbraw/zinc/41/17/39/645411739.db2.gz KPPTZGKOFUNNDM-PBHICJAKSA-N 1 0 396.329 2.160 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236579643 645412537 /nfs/dbraw/zinc/41/25/37/645412537.db2.gz WHQQANCUPDABGY-QWHCGFSZSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000236578700 645412575 /nfs/dbraw/zinc/41/25/75/645412575.db2.gz PYDJJDQVXLAJNX-ZIAGYGMSSA-N 1 0 394.313 2.308 20 0 GEADRO O=C(CCCOc1ccccc1Br)NCCCN1CC[NH2+]CC1 ZINC000236583214 645413059 /nfs/dbraw/zinc/41/30/59/645413059.db2.gz WPMVHBBMWLPYHS-UHFFFAOYSA-N 1 0 384.318 2.020 20 0 GEADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000236582423 645413188 /nfs/dbraw/zinc/41/31/88/645413188.db2.gz APPKIHOKPGXVJV-OAHLLOKOSA-N 1 0 380.286 2.378 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000236599708 645413716 /nfs/dbraw/zinc/41/37/16/645413716.db2.gz YIVNUXFAEIFVIG-CYBMUJFWSA-N 1 0 389.949 2.472 20 0 GEADRO CC(C)(C[NH3+])C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000236603367 645413781 /nfs/dbraw/zinc/41/37/81/645413781.db2.gz DQUULQKTKFLYIL-UHFFFAOYSA-N 1 0 391.331 2.103 20 0 GEADRO CC(C)([NH3+])CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000236600977 645413814 /nfs/dbraw/zinc/41/38/14/645413814.db2.gz MADLZDKSGNYOLI-LBPRGKRZSA-N 1 0 387.267 2.052 20 0 GEADRO O=C(CCCOc1cccc(Br)c1)NCCCN1CC[NH2+]CC1 ZINC000236635720 645415238 /nfs/dbraw/zinc/41/52/38/645415238.db2.gz ABMILMRPLGVVHC-UHFFFAOYSA-N 1 0 384.318 2.020 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])s2)CC1 ZINC000236643274 645415268 /nfs/dbraw/zinc/41/52/68/645415268.db2.gz HJSMOBMLZMXNBL-CQSZACIVSA-N 1 0 385.555 2.122 20 0 GEADRO O=C(NCC[NH2+]C1CC1)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000236629071 645415355 /nfs/dbraw/zinc/41/53/55/645415355.db2.gz NREQSYMNSOUBES-UHFFFAOYSA-N 1 0 390.285 2.389 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])s2)CC1 ZINC000236646641 645416225 /nfs/dbraw/zinc/41/62/25/645416225.db2.gz HEYOENBFZKGVAG-UONOGXRCSA-N 1 0 385.555 2.026 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC000236747050 645418493 /nfs/dbraw/zinc/41/84/93/645418493.db2.gz FUVULUXHZRHRIY-SNVBAGLBSA-N 1 0 393.303 2.032 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000236792870 645419085 /nfs/dbraw/zinc/41/90/85/645419085.db2.gz FKOJAWFTIXQZML-UHFFFAOYSA-N 1 0 391.331 2.449 20 0 GEADRO CCC[NH2+]CCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000236821366 645419416 /nfs/dbraw/zinc/41/94/16/645419416.db2.gz UJOLDNKDZSCGPI-UHFFFAOYSA-N 1 0 375.922 2.146 20 0 GEADRO C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000237132457 645423862 /nfs/dbraw/zinc/42/38/62/645423862.db2.gz FUOMFHTYGYRRHY-GFCCVEGCSA-N 1 0 380.286 2.012 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237155665 645425456 /nfs/dbraw/zinc/42/54/56/645425456.db2.gz CHHWAFDHRTVPBX-FUNVUKJBSA-N 1 0 389.315 2.361 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237344633 645429252 /nfs/dbraw/zinc/42/92/52/645429252.db2.gz FDYWFQLFETYOJG-CJNGLKHVSA-N 1 0 383.945 2.450 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000237388478 645429870 /nfs/dbraw/zinc/42/98/70/645429870.db2.gz ZDSQRIOWMBJGAE-OLZOCXBDSA-N 1 0 387.933 2.085 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000237403654 645430524 /nfs/dbraw/zinc/43/05/24/645430524.db2.gz UMURRDLMRFFABS-JTQLQIEISA-N 1 0 378.274 2.232 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@@H]1C[NH3+] ZINC000237425585 645432001 /nfs/dbraw/zinc/43/20/01/645432001.db2.gz MSAHBYUJYSLBHX-QMTHXVAHSA-N 1 0 378.270 2.490 20 0 GEADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000237522500 645435501 /nfs/dbraw/zinc/43/55/01/645435501.db2.gz DDDHLKSUXZRXOQ-NEPJUHHUSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000237555938 645435855 /nfs/dbraw/zinc/43/58/55/645435855.db2.gz XVVZDGRGOZIZGU-OLZOCXBDSA-N 1 0 387.933 2.180 20 0 GEADRO C[C@@]1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC[NH2+]C1 ZINC000237539082 645436056 /nfs/dbraw/zinc/43/60/56/645436056.db2.gz WTFGEOAQDIAWNS-QGZVFWFLSA-N 1 0 395.301 2.021 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N[C@H](C[NH3+])C3CC3)[nH]c(=O)c2c1C ZINC000237526613 645436187 /nfs/dbraw/zinc/43/61/87/645436187.db2.gz CEIHPVHUKJVKBL-CMPLNLGQSA-N 1 0 380.539 2.077 20 0 GEADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000237591547 645437084 /nfs/dbraw/zinc/43/70/84/645437084.db2.gz JYESKARUJNOAQZ-NWDGAFQWSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@@H](C)C[NH2+]1 ZINC000237614760 645437957 /nfs/dbraw/zinc/43/79/57/645437957.db2.gz WFPZQHUVZAFYRY-FRRDWIJNSA-N 1 0 380.286 2.011 20 0 GEADRO C[C@](C[NH3+])(NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000237605370 645438262 /nfs/dbraw/zinc/43/82/62/645438262.db2.gz YGVNPCCNWZEOJQ-APPDUMDISA-N 1 0 380.286 2.046 20 0 GEADRO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000237767647 645439879 /nfs/dbraw/zinc/43/98/79/645439879.db2.gz FGRZLHTVSBKBSQ-GFCCVEGCSA-N 1 0 384.395 2.134 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)C1CCCCC1 ZINC000237787223 645440393 /nfs/dbraw/zinc/44/03/93/645440393.db2.gz SNEBJHXVNUKIPF-CQSZACIVSA-N 1 0 385.555 2.170 20 0 GEADRO [NH3+]CCCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000237786804 645440595 /nfs/dbraw/zinc/44/05/95/645440595.db2.gz KQOYRRSRUILEDT-CQSZACIVSA-N 1 0 386.265 2.048 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1cc(Br)ccc1OC(F)F ZINC000237796288 645441895 /nfs/dbraw/zinc/44/18/95/645441895.db2.gz TXSYARSKHOJOAZ-GFCCVEGCSA-N 1 0 393.228 2.435 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)NCc1cc(Br)ccc1OC(F)F ZINC000237796254 645441905 /nfs/dbraw/zinc/44/19/05/645441905.db2.gz TXSYARSKHOJOAZ-LBPRGKRZSA-N 1 0 393.228 2.435 20 0 GEADRO O=C(CCCOc1ccc(I)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000237810006 645443261 /nfs/dbraw/zinc/44/32/61/645443261.db2.gz CMGMVDKIHJAFML-CYBMUJFWSA-N 1 0 388.249 2.318 20 0 GEADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1)C1CC1 ZINC000237815049 645443377 /nfs/dbraw/zinc/44/33/77/645443377.db2.gz WGMHHENRNQJXSF-LLVKDONJSA-N 1 0 387.221 2.484 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000237825314 645444130 /nfs/dbraw/zinc/44/41/30/645444130.db2.gz GYXQYOUDVRRAGD-NSHDSACASA-N 1 0 394.324 2.002 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000237837047 645444959 /nfs/dbraw/zinc/44/49/59/645444959.db2.gz OCCLROGCIFBLIJ-INIZCTEOSA-N 1 0 381.929 2.110 20 0 GEADRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000237864567 645446416 /nfs/dbraw/zinc/44/64/16/645446416.db2.gz DOTSIWDINMQIPI-JKSUJKDBSA-N 1 0 387.933 2.032 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000237898595 645447931 /nfs/dbraw/zinc/44/79/31/645447931.db2.gz NOPRLBRYQYBWJY-LBPRGKRZSA-N 1 0 375.325 2.132 20 0 GEADRO [NH3+]Cc1ccc(C(=O)NCCCNC(=O)c2ccc(Br)cc2)o1 ZINC000237908292 645448049 /nfs/dbraw/zinc/44/80/49/645448049.db2.gz XJTUKDCIYCLGLA-UHFFFAOYSA-N 1 0 380.242 2.051 20 0 GEADRO [NH3+][C@@H](CNC(=O)CCCOc1ccc(I)cc1)C1CC1 ZINC000237969478 645448600 /nfs/dbraw/zinc/44/86/00/645448600.db2.gz XZQGBZZNDYQWFC-AWEZNQCLSA-N 1 0 388.249 2.304 20 0 GEADRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000245396200 645452288 /nfs/dbraw/zinc/45/22/88/645452288.db2.gz KITBEUJFTUOXOQ-ZFWWWQNUSA-N 1 0 385.302 2.166 20 0 GEADRO C[N@H+](CCC(=O)N1CCc2sccc2C1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245414682 645453016 /nfs/dbraw/zinc/45/30/16/645453016.db2.gz CNXSLFFIXBIUBV-NVXWUHKLSA-N 1 0 384.567 2.311 20 0 GEADRO Cc1cc(=O)n2nc(CN(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)sc2n1 ZINC000245469188 645456203 /nfs/dbraw/zinc/45/62/03/645456203.db2.gz LMHAMZTUOMUUGM-UOXLDJKESA-N 1 0 376.507 2.390 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1COc2ccc(Br)cc21 ZINC000245656022 645465079 /nfs/dbraw/zinc/46/50/79/645465079.db2.gz DNGAXMAYGKMOED-HOCLYGCPSA-N 1 0 397.313 2.278 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC[N@@H+]1C[C@H](C)O ZINC000245670122 645466166 /nfs/dbraw/zinc/46/61/66/645466166.db2.gz RXKCJQCXAMHLKR-JGGQBBKZSA-N 1 0 397.313 2.229 20 0 GEADRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Br)c(F)cc2F)CCC1 ZINC000546904356 651013912 /nfs/dbraw/zinc/01/39/12/651013912.db2.gz WECSHKGLCDHLMB-UHFFFAOYSA-N 1 0 383.258 2.490 20 0 GEADRO C[N@H+](C[C@H](O)COC1CCOCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245854850 645470367 /nfs/dbraw/zinc/47/03/67/645470367.db2.gz FHKPQMOCSULFAG-JBBXEZCESA-N 1 0 390.307 2.440 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cn(C)c2=O)[C@@H](C)C1 ZINC000246112284 645475980 /nfs/dbraw/zinc/47/59/80/645475980.db2.gz XQWSCMIUYOSAQU-SMDDNHRTSA-N 1 0 385.306 2.342 20 0 GEADRO C[C@H](CNC(=O)c1cc(I)c[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000246751964 645492919 /nfs/dbraw/zinc/49/29/19/645492919.db2.gz JKWWEHZKUUOHJN-WDEREUQCSA-N 1 0 375.254 2.470 20 0 GEADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246794206 645494300 /nfs/dbraw/zinc/49/43/00/645494300.db2.gz BOFZMSHAXRUSKG-QKPAOTATSA-N 1 0 375.579 2.206 20 0 GEADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246975308 645500372 /nfs/dbraw/zinc/50/03/72/645500372.db2.gz SCXIGZNJNOEKGJ-GJZGRUSLSA-N 1 0 389.323 2.387 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246982115 645500389 /nfs/dbraw/zinc/50/03/89/645500389.db2.gz SJCKGTBLJKJDSY-CABCVRRESA-N 1 0 396.329 2.430 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000247025317 645501881 /nfs/dbraw/zinc/50/18/81/645501881.db2.gz RQXIAJCFWQCWDG-SWLSCSKDSA-N 1 0 392.297 2.352 20 0 GEADRO CSCC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247142591 645505308 /nfs/dbraw/zinc/50/53/08/645505308.db2.gz ZTXRXZUDCCRYQO-YDHLFZDLSA-N 1 0 384.571 2.037 20 0 GEADRO COC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000247512626 645511622 /nfs/dbraw/zinc/51/16/22/645511622.db2.gz VYHKUIHFLKFNKI-DOMZBBRYSA-N 1 0 381.270 2.439 20 0 GEADRO O=C([C@@H]1CCC[N@@H+](CCOc2cccc(Br)c2)C1)N1CCOCC1 ZINC000247857420 645520709 /nfs/dbraw/zinc/52/07/09/645520709.db2.gz LCVGOWVZRSLRPA-OAHLLOKOSA-N 1 0 397.313 2.399 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248549070 645530594 /nfs/dbraw/zinc/53/05/94/645530594.db2.gz KANCEPFSMWANEG-WOPDTQHZSA-N 1 0 388.249 2.321 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCSC[C@H]2c2nccs2)C1 ZINC000248577173 645532499 /nfs/dbraw/zinc/53/24/99/645532499.db2.gz QACQBZGDWYLCED-GJZGRUSLSA-N 1 0 384.571 2.299 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(Cl)c3)C[C@H]12 ZINC000248570288 645532562 /nfs/dbraw/zinc/53/25/62/645532562.db2.gz CMGAJBFQPARHNO-GMOODISLSA-N 1 0 379.707 2.460 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000248591435 645533275 /nfs/dbraw/zinc/53/32/75/645533275.db2.gz YZTMOPKKFNZVJH-KBPBESRZSA-N 1 0 396.329 2.416 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000248741016 645536189 /nfs/dbraw/zinc/53/61/89/645536189.db2.gz PTMUIXQWVTXTIV-VXGBXAGGSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@H](CO)[N@@H+](CCCOc1cccc(I)c1)C[C@H](C)O ZINC000248898181 645542706 /nfs/dbraw/zinc/54/27/06/645542706.db2.gz GVZPWNUTMRWQOQ-OLZOCXBDSA-N 1 0 393.265 2.124 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000249219647 645550081 /nfs/dbraw/zinc/55/00/81/645550081.db2.gz UHKXDIKYPHPZBT-IUODEOHRSA-N 1 0 382.302 2.495 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000249215644 645550130 /nfs/dbraw/zinc/55/01/30/645550130.db2.gz TTYRAHIHUFSXSH-JQWIXIFHSA-N 1 0 384.249 2.222 20 0 GEADRO C[C@H](CNC(=O)CNC(=O)c1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000252209421 645565128 /nfs/dbraw/zinc/56/51/28/645565128.db2.gz VXNYUEGHOVJJAW-UONOGXRCSA-N 1 0 396.329 2.416 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000252348475 645565323 /nfs/dbraw/zinc/56/53/23/645565323.db2.gz CPKUPDJVQJGFKO-KBPBESRZSA-N 1 0 394.313 2.260 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC000252656761 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ZINC000267482075 645906896 /nfs/dbraw/zinc/90/68/96/645906896.db2.gz XUACYSKUTBNNMN-GDBMZVCRSA-N 1 0 389.323 2.387 20 0 GEADRO CS[C@@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000547950221 651058100 /nfs/dbraw/zinc/05/81/00/651058100.db2.gz ORCDMYCRXSVMIK-HZPDHXFCSA-N 1 0 381.929 2.108 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C[N@@H+]1C1CC1 ZINC000267920998 645934958 /nfs/dbraw/zinc/93/49/58/645934958.db2.gz QKWSKHFTNOLULZ-NXEZZACHSA-N 1 0 384.249 2.268 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C[N@@H+]1C1CC1 ZINC000267921005 645935512 /nfs/dbraw/zinc/93/55/12/645935512.db2.gz QKWSKHFTNOLULZ-VHSXEESVSA-N 1 0 384.249 2.268 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cccc(F)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000268128705 645946739 /nfs/dbraw/zinc/94/67/39/645946739.db2.gz BCRIACBJVZTICD-GFCCVEGCSA-N 1 0 376.881 2.060 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(Cl)cc1Br ZINC000268679995 645987893 /nfs/dbraw/zinc/98/78/93/645987893.db2.gz DLLFBMDMCRPMBW-NSHDSACASA-N 1 0 375.698 2.470 20 0 GEADRO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268740864 645994736 /nfs/dbraw/zinc/99/47/36/645994736.db2.gz SBTBXQPVCRRVNI-CYBMUJFWSA-N 1 0 376.469 2.444 20 0 GEADRO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000268871538 646001856 /nfs/dbraw/zinc/00/18/56/646001856.db2.gz UNAARFWGXOFJRD-DMDPSCGWSA-N 1 0 379.238 2.044 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)ccc1S(=O)(=O)C(F)F ZINC000268903710 646004269 /nfs/dbraw/zinc/00/42/69/646004269.db2.gz GJLJCAOIXKONEB-BONVTDFDSA-N 1 0 381.466 2.210 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1Br ZINC000268944097 646008357 /nfs/dbraw/zinc/00/83/57/646008357.db2.gz TXWFHDUNLLRFAF-DOMZBBRYSA-N 1 0 384.318 2.448 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@H](C)[C@H](CO)SC)ccc1S(=O)(=O)C(F)F ZINC000269053696 646011947 /nfs/dbraw/zinc/01/19/47/646011947.db2.gz YHUMFKUYVXLADC-CWSCBRNRSA-N 1 0 383.482 2.455 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H](CO)SC)ccc1S(=O)(=O)C(F)F 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C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H](O)c1cccnc1 ZINC000271103852 646173948 /nfs/dbraw/zinc/17/39/48/646173948.db2.gz YPMRUEKWDSOVCE-QGZVFWFLSA-N 1 0 392.297 2.468 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(F)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000271104810 646173980 /nfs/dbraw/zinc/17/39/80/646173980.db2.gz ZUMSVXLSOGZFMV-MRXNPFEDSA-N 1 0 390.908 2.450 20 0 GEADRO CN1C(=O)N[C@@]2(CC[N@@H+]([C@@H]3CCCc4ccc(Br)cc43)C2)C1=O ZINC000271215660 646181236 /nfs/dbraw/zinc/18/12/36/646181236.db2.gz AZQVAEVQBJVJJH-RHSMWYFYSA-N 1 0 378.270 2.453 20 0 GEADRO O=C(c1nccn2c(Br)cnc12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000271367239 646196496 /nfs/dbraw/zinc/19/64/96/646196496.db2.gz YYZKVMPOWOORNY-LBPRGKRZSA-N 1 0 378.274 2.192 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000271629945 646216647 /nfs/dbraw/zinc/21/66/47/646216647.db2.gz JLEGIGHXITWWGX-CYBMUJFWSA-N 1 0 395.301 2.035 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1 ZINC000271683098 646219392 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O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)CCO2 ZINC000272122322 646254876 /nfs/dbraw/zinc/25/48/76/646254876.db2.gz ZZPKVPKCZATUFW-DOMZBBRYSA-N 1 0 392.290 2.414 20 0 GEADRO CCOC(=O)[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(OC)c(Br)c1 ZINC000272281204 646263042 /nfs/dbraw/zinc/26/30/42/646263042.db2.gz ZYUQCZNZPUSDFV-ZFWWWQNUSA-N 1 0 399.285 2.272 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000272305405 646264903 /nfs/dbraw/zinc/26/49/03/646264903.db2.gz RBFOGPBQVYVJMQ-ZENOOKHLSA-N 1 0 383.945 2.387 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3c(F)cccc3Br)[C@@H]2C1 ZINC000272320272 646265553 /nfs/dbraw/zinc/26/55/53/646265553.db2.gz KZZMHIQOZVAWME-GXFFZTMASA-N 1 0 384.249 2.079 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1Br ZINC000272332377 646267339 /nfs/dbraw/zinc/26/73/39/646267339.db2.gz NGRMUSHYHHFFCY-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000272460523 646275238 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CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)n(C)c2=O)[C@H](C)C1 ZINC000277277824 646397434 /nfs/dbraw/zinc/39/74/34/646397434.db2.gz AKVYEDWIOZBKAM-IAQYHMDHSA-N 1 0 384.318 2.259 20 0 GEADRO COc1ccc(CC[C@H](C)[NH2+]CCNS(=O)(=O)c2cccs2)cc1O ZINC000277310838 646401197 /nfs/dbraw/zinc/40/11/97/646401197.db2.gz VVYPCPYKFKJMJR-ZDUSSCGKSA-N 1 0 384.523 2.352 20 0 GEADRO Cc1c(Br)cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(=O)n1C ZINC000277331746 646403931 /nfs/dbraw/zinc/40/39/31/646403931.db2.gz DVQWXNMWDFXHNB-VXGBXAGGSA-N 1 0 384.318 2.306 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000277438349 646420157 /nfs/dbraw/zinc/42/01/57/646420157.db2.gz GSFMALATSCVBKS-BXUZGUMPSA-N 1 0 387.933 2.145 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000277438364 646420460 /nfs/dbraw/zinc/42/04/60/646420460.db2.gz GSFMALATSCVBKS-SMDDNHRTSA-N 1 0 387.933 2.145 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 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2.279 20 0 GEADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000277688125 646462802 /nfs/dbraw/zinc/46/28/02/646462802.db2.gz GMHKSIJYVXQEFI-SWLSCSKDSA-N 1 0 397.317 2.149 20 0 GEADRO CO[C@H](C[NH3+])CC(=O)NCCSCCOc1cccc(Br)c1 ZINC000278295462 646510744 /nfs/dbraw/zinc/51/07/44/646510744.db2.gz RGSBGNZHQPHINK-AWEZNQCLSA-N 1 0 391.331 2.041 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)CC[NH2+]1 ZINC000278295538 646510831 /nfs/dbraw/zinc/51/08/31/646510831.db2.gz RGVVTKRYADTHDF-KTTDLOKESA-N 1 0 381.270 2.490 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)ccc1Cl ZINC000278317252 646513421 /nfs/dbraw/zinc/51/34/21/646513421.db2.gz UOHIZLBOHUJHJE-OCCSQVGLSA-N 1 0 387.933 2.241 20 0 GEADRO Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c(Br)s1 ZINC000278367897 646517349 /nfs/dbraw/zinc/51/73/49/646517349.db2.gz XOEGZIKWAOHIMU-NSHDSACASA-N 1 0 388.331 2.279 20 0 GEADRO CN(C(=O)COc1cccc(I)c1)C1CC[NH+](C)CC1 ZINC000278577074 646526989 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O=C(NCCCCn1cc(Br)cn1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000280022773 646646050 /nfs/dbraw/zinc/64/60/50/646646050.db2.gz QVUDVJYMZIKPPZ-ZDUSSCGKSA-N 1 0 384.322 2.209 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2c[nH]c3ncc(Br)cc23)CCSC1 ZINC000280201340 646661805 /nfs/dbraw/zinc/66/18/05/646661805.db2.gz DZGRTGXXQPHHAJ-OAHLLOKOSA-N 1 0 383.315 2.493 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1Br ZINC000280259081 646664181 /nfs/dbraw/zinc/66/41/81/646664181.db2.gz FFGYKAFLACRUFH-SNVBAGLBSA-N 1 0 386.265 2.434 20 0 GEADRO CC1CC[NH+](CCNC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000280276473 646666539 /nfs/dbraw/zinc/66/65/39/646666539.db2.gz NTVFPSWFPIQXBG-HNNXBMFYSA-N 1 0 397.317 2.007 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000280279072 646666775 /nfs/dbraw/zinc/66/67/75/646666775.db2.gz FTFKBIZTOVVYKH-DZGCQCFKSA-N 1 0 385.555 2.167 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]CC(=O)NCC(F)F)cc1OC ZINC000280317643 646671187 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C[N@@H+]1CCN(CCNC(=O)CCOc2cccc(Br)c2)CC1(C)C ZINC000281708379 646790947 /nfs/dbraw/zinc/79/09/47/646790947.db2.gz HPEJKZVOSLYOIQ-UHFFFAOYSA-N 1 0 398.345 2.360 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)Cc2ccc(Br)c(F)c2)CC1(C)C ZINC000281756341 646796847 /nfs/dbraw/zinc/79/68/47/646796847.db2.gz KZYLTLLLDSMZFI-UHFFFAOYSA-N 1 0 386.309 2.273 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)NCc2csc(Br)c2)CC1(C)C ZINC000282037613 646812165 /nfs/dbraw/zinc/81/21/65/646812165.db2.gz ZQHHCHDBGGJBQN-UHFFFAOYSA-N 1 0 389.363 2.336 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1 ZINC000283655259 646825847 /nfs/dbraw/zinc/82/58/47/646825847.db2.gz VOVRZYCLCIUCNL-HNNXBMFYSA-N 1 0 396.329 2.256 20 0 GEADRO COC(=O)CC1([NH2+]Cc2cccc(I)c2)CCOCC1 ZINC000284043700 646830369 /nfs/dbraw/zinc/83/03/69/646830369.db2.gz RXEXMWQJPOMJJR-UHFFFAOYSA-N 1 0 389.233 2.493 20 0 GEADRO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000285597581 646858025 /nfs/dbraw/zinc/85/80/25/646858025.db2.gz 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Cn1ncc(I)c1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000292195860 647185717 /nfs/dbraw/zinc/18/57/17/647185717.db2.gz IEUIECYJITUAKP-UHFFFAOYSA-N 1 0 384.221 2.339 20 0 GEADRO Cc1cc(C)c(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000292469799 647192212 /nfs/dbraw/zinc/19/22/12/647192212.db2.gz PQXYYHJYIYUZRZ-KRWDZBQOSA-N 1 0 380.535 2.410 20 0 GEADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292608808 647202238 /nfs/dbraw/zinc/20/22/38/647202238.db2.gz XGPGIMQBSTWJSW-IUODEOHRSA-N 1 0 375.270 2.459 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000292679632 647205162 /nfs/dbraw/zinc/20/51/62/647205162.db2.gz BRAZYXTXXWXOQM-QGZVFWFLSA-N 1 0 385.917 2.405 20 0 GEADRO O=C(Cc1cscc1Br)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000292731155 647206863 /nfs/dbraw/zinc/20/68/63/647206863.db2.gz NJWGBYIVLLMUSQ-UHFFFAOYSA-N 1 0 386.359 2.293 20 0 GEADRO Cn1ncc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1I ZINC000292737562 647208054 /nfs/dbraw/zinc/20/80/54/647208054.db2.gz UKZFOLWKLPYZAP-CYBMUJFWSA-N 1 0 398.248 2.057 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000294694472 647222541 /nfs/dbraw/zinc/22/25/41/647222541.db2.gz UWBJPBBESXKQOM-CYBMUJFWSA-N 1 0 378.274 2.196 20 0 GEADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000294710670 647224337 /nfs/dbraw/zinc/22/43/37/647224337.db2.gz JODWYHRGTYZKLT-AQFXKWCLSA-N 1 0 387.567 2.432 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)c1c(I)cnn1C ZINC000294884808 647225469 /nfs/dbraw/zinc/22/54/69/647225469.db2.gz LEGRGXSIYGDEKY-UHFFFAOYSA-N 1 0 392.285 2.219 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cn[nH]c1 ZINC000296140612 647244114 /nfs/dbraw/zinc/24/41/14/647244114.db2.gz VFFKSKKJCJLASB-NSHDSACASA-N 1 0 381.274 2.018 20 0 GEADRO C[C@@H](CNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000296430496 647251839 /nfs/dbraw/zinc/25/18/39/647251839.db2.gz MDHIAGSOTLNYLB-ZDUSSCGKSA-N 1 0 387.933 2.286 20 0 GEADRO CCOc1cc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc(Cl)c1O 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PDWHGJPMEUCFKW-XJKSGUPXSA-N 1 0 380.539 2.395 20 0 GEADRO CCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000330389273 647334319 /nfs/dbraw/zinc/33/43/19/647334319.db2.gz DYGSBJUIKXABTI-UHFFFAOYSA-N 1 0 388.331 2.231 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000330443906 647337008 /nfs/dbraw/zinc/33/70/08/647337008.db2.gz UWNMBPYNFPZPGK-UHFFFAOYSA-N 1 0 385.555 2.042 20 0 GEADRO CN(C)S(=O)(=O)CCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000330525547 647341580 /nfs/dbraw/zinc/34/15/80/647341580.db2.gz LETPDSOCKJCOOD-CABCVRRESA-N 1 0 381.325 2.165 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330919168 647358745 /nfs/dbraw/zinc/35/87/45/647358745.db2.gz YDNQEJZNPIAWCC-GARJFASQSA-N 1 0 388.331 2.228 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000331147228 647368264 /nfs/dbraw/zinc/36/82/64/647368264.db2.gz ARSUSCWWXDBJLZ-STQMWFEESA-N 1 0 394.324 2.382 20 0 GEADRO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)sc1Br ZINC000331312855 647379928 /nfs/dbraw/zinc/37/99/28/647379928.db2.gz HZVHKLGBRAQCGD-SNVBAGLBSA-N 1 0 377.304 2.096 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000331370798 647383006 /nfs/dbraw/zinc/38/30/06/647383006.db2.gz GGNWDBNEZBISPD-STQMWFEESA-N 1 0 397.317 2.500 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1n[nH]c2ccc(I)cc21 ZINC000331474136 647385962 /nfs/dbraw/zinc/38/59/62/647385962.db2.gz HDYKOYHCMUGAPY-UHFFFAOYSA-N 1 0 398.248 2.335 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000331568008 647389457 /nfs/dbraw/zinc/38/94/57/647389457.db2.gz VURGIEPDSVFLQT-GFCCVEGCSA-N 1 0 380.290 2.296 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000331647542 647394911 /nfs/dbraw/zinc/39/49/11/647394911.db2.gz VSVYWIHGPFIHQH-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO O=C(Nc1ccc(Br)cc1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331784667 647398693 /nfs/dbraw/zinc/39/86/93/647398693.db2.gz IQNWJRDSINXCPI-ZDUSSCGKSA-N 1 0 395.301 2.125 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000331860975 647401390 /nfs/dbraw/zinc/40/13/90/647401390.db2.gz IRGDOEJQKVODEH-IAQYHMDHSA-N 1 0 398.276 2.072 20 0 GEADRO C[C@H]1CN(C(=O)c2cnc3ccc(Br)cc3c2O)C[C@H]1[NH+](C)C ZINC000331899510 647402472 /nfs/dbraw/zinc/40/24/72/647402472.db2.gz BLGPTSOCDFEDPH-ZUZCIYMTSA-N 1 0 378.270 2.313 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000331996638 647405467 /nfs/dbraw/zinc/40/54/67/647405467.db2.gz XBUFWFQXQDJQHS-CQSZACIVSA-N 1 0 386.901 2.422 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc(F)c1Br ZINC000331995243 647405666 /nfs/dbraw/zinc/40/56/66/647405666.db2.gz BGVQFKCGWYBUBU-RISCZKNCSA-N 1 0 398.276 2.388 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000332058836 647408846 /nfs/dbraw/zinc/40/88/46/647408846.db2.gz POXQQEAVYPOGOZ-IAQYHMDHSA-N 1 0 398.276 2.388 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332061022 647408913 /nfs/dbraw/zinc/40/89/13/647408913.db2.gz YAGQGSHDAYHAKF-CJNGLKHVSA-N 1 0 394.313 2.264 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3nc(C(F)(F)F)cs3)CC[C@H]21 ZINC000332116949 647412765 /nfs/dbraw/zinc/41/27/65/647412765.db2.gz KNGWGYOKBNWSNN-NXEZZACHSA-N 1 0 376.404 2.043 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000332114475 647412997 /nfs/dbraw/zinc/41/29/97/647412997.db2.gz CZXMDQMYHZABDR-WFASDCNBSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1Cl ZINC000332153434 647417297 /nfs/dbraw/zinc/41/72/97/647417297.db2.gz IRKKUDAGUQVWHB-WCQYABFASA-N 1 0 389.308 2.151 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000332213418 647423717 /nfs/dbraw/zinc/42/37/17/647423717.db2.gz VOGDXKWFCNYVED-BFHYXJOUSA-N 1 0 394.313 2.401 20 0 GEADRO C[C@@H]1NC(=O)N(CC[NH+]2CCC(Oc3cccc(Br)c3)CC2)C1=O ZINC000332287001 647428626 /nfs/dbraw/zinc/42/86/26/647428626.db2.gz MLEHBUNMFFTNSH-LBPRGKRZSA-N 1 0 396.285 2.233 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332311563 647430967 /nfs/dbraw/zinc/43/09/67/647430967.db2.gz HUWBIIAKDPSPCJ-IACUBPJLSA-N 1 0 380.286 2.282 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1F ZINC000332562235 647445885 /nfs/dbraw/zinc/44/58/85/647445885.db2.gz RDKGGHQZFJWTLO-JQWIXIFHSA-N 1 0 384.249 2.046 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC000332573426 647447379 /nfs/dbraw/zinc/44/73/79/647447379.db2.gz BQYTYUAHPRLVQO-AAEUAGOBSA-N 1 0 384.307 2.464 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000332743979 647452067 /nfs/dbraw/zinc/45/20/67/647452067.db2.gz UYOMDHYECNMZNR-HOTGVXAUSA-N 1 0 394.313 2.403 20 0 GEADRO C[N@H+](CC(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)[C@@H]1CCSC1 ZINC000332994239 647457643 /nfs/dbraw/zinc/45/76/43/647457643.db2.gz BNACVSHGXAVPLL-VXGBXAGGSA-N 1 0 376.448 2.018 20 0 GEADRO 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GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417294270 648237770 /nfs/dbraw/zinc/23/77/70/648237770.db2.gz BMANXUULEAKWHK-NEPJUHHUSA-N 1 0 384.274 2.289 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417360380 648240040 /nfs/dbraw/zinc/24/00/40/648240040.db2.gz AKFIDMCCTUWBSS-JSGCOSHPSA-N 1 0 397.317 2.383 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)NCc1ccc(Br)cc1Cl ZINC000417347248 648240122 /nfs/dbraw/zinc/24/01/22/648240122.db2.gz WYONCGNZRWLYKD-UHFFFAOYSA-N 1 0 389.725 2.197 20 0 GEADRO COc1cc(CNC(=O)NCCC[NH2+]C2CC2)cc(Br)c1OC ZINC000417364389 648240478 /nfs/dbraw/zinc/24/04/78/648240478.db2.gz DZXQCTCRBRJRSY-UHFFFAOYSA-N 1 0 386.290 2.408 20 0 GEADRO COc1cc(CNC(=O)NCC2=CC[NH2+]CC2)cc(Br)c1OC ZINC000417364277 648240598 /nfs/dbraw/zinc/24/05/98/648240598.db2.gz DQQGBPORYIUHEQ-UHFFFAOYSA-N 1 0 384.274 2.185 20 0 GEADRO COc1cc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc(Br)c1OC ZINC000417376767 648241895 /nfs/dbraw/zinc/24/18/95/648241895.db2.gz OPADWOONNVQKAA-MNOVXSKESA-N 1 0 386.290 2.358 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc(Br)c1OC ZINC000417379141 648242512 /nfs/dbraw/zinc/24/25/12/648242512.db2.gz SFNZJRJDWNGESZ-GXFFZTMASA-N 1 0 386.290 2.345 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc(Br)c1OC ZINC000417383661 648243054 /nfs/dbraw/zinc/24/30/54/648243054.db2.gz ZKSQSSHHORTMGO-CMPLNLGQSA-N 1 0 386.290 2.393 20 0 GEADRO CC(C)[NH+](CCCNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)C(C)C ZINC000417432467 648244831 /nfs/dbraw/zinc/24/48/31/648244831.db2.gz TVYGACHPXFAISG-UHFFFAOYSA-N 1 0 388.559 2.244 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000417448408 648246806 /nfs/dbraw/zinc/24/68/06/648246806.db2.gz UOFFPJUTRMXHAC-JQWIXIFHSA-N 1 0 386.290 2.406 20 0 GEADRO O=C(N[C@H]1CCc2c1cccc2Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417449464 648247384 /nfs/dbraw/zinc/24/73/84/648247384.db2.gz BNSPXPMRQTXTSX-GUYCJALGSA-N 1 0 393.329 2.126 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417478951 648248596 /nfs/dbraw/zinc/24/85/96/648248596.db2.gz DXEHCDGZHQNVGW-AWEZNQCLSA-N 1 0 383.290 2.123 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417481832 648248976 /nfs/dbraw/zinc/24/89/76/648248976.db2.gz OPGNMZLDGWMYAL-BPLDGKMQSA-N 1 0 381.318 2.454 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417483610 648249441 /nfs/dbraw/zinc/24/94/41/648249441.db2.gz SIVJLPMUQGGXJA-MAUKXSAKSA-N 1 0 393.329 2.423 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417483611 648249528 /nfs/dbraw/zinc/24/95/28/648249528.db2.gz SIVJLPMUQGGXJA-QAPCUYQASA-N 1 0 393.329 2.423 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000417490684 648249797 /nfs/dbraw/zinc/24/97/97/648249797.db2.gz SAUYSRCOVXGUPB-SWLSCSKDSA-N 1 0 397.317 2.009 20 0 GEADRO O=C(NCCCNC(=O)c1ccc(Br)cc1)NCCC[NH2+]C1CC1 ZINC000417489044 648249996 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C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417720073 648259297 /nfs/dbraw/zinc/25/92/97/648259297.db2.gz DJCMGNYJSWPMPY-ZWNOBZJWSA-N 1 0 393.289 2.031 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417729657 648259812 /nfs/dbraw/zinc/25/98/12/648259812.db2.gz NELJFXXZMOQAOA-CMPLNLGQSA-N 1 0 393.289 2.113 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417730856 648259837 /nfs/dbraw/zinc/25/98/37/648259837.db2.gz OHIUSZLEBJRJLE-ZDUSSCGKSA-N 1 0 393.289 2.128 20 0 GEADRO Cc1ccc(C[C@@H](C)NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000417733513 648260370 /nfs/dbraw/zinc/26/03/70/648260370.db2.gz UJPDZKGHVXUGKS-RISCZKNCSA-N 1 0 378.464 2.123 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417738281 648260932 /nfs/dbraw/zinc/26/09/32/648260932.db2.gz OROAXNVDHOSRCQ-CABZTGNLSA-N 1 0 380.798 2.430 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCC2(c3ccccc3Br)CC2)CCCO1 ZINC000417737574 648261006 /nfs/dbraw/zinc/26/10/06/648261006.db2.gz VWPVXLUUNZVTJT-ZDUSSCGKSA-N 1 0 382.302 2.240 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)NCc1cc(Cl)ccc1OC(F)F ZINC000417787174 648262342 /nfs/dbraw/zinc/26/23/42/648262342.db2.gz RPMANPAXSCOOTN-UHFFFAOYSA-N 1 0 376.835 2.036 20 0 GEADRO CCS[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417824978 648262946 /nfs/dbraw/zinc/26/29/46/648262946.db2.gz ASKJEQSOUUAKGP-MJBXVCDLSA-N 1 0 382.496 2.186 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417874721 648264051 /nfs/dbraw/zinc/26/40/51/648264051.db2.gz NHYKHJZCDNWNHR-GHMZBOCLSA-N 1 0 379.814 2.369 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417874180 648264141 /nfs/dbraw/zinc/26/41/41/648264141.db2.gz LFOFWGBXHQBWCV-LLVKDONJSA-N 1 0 397.253 2.298 20 0 GEADRO C[NH2+]CCCNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417892072 648264975 /nfs/dbraw/zinc/26/49/75/648264975.db2.gz QHNZQQMFKIDMCA-UHFFFAOYSA-N 1 0 383.334 2.322 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417893885 648265129 /nfs/dbraw/zinc/26/51/29/648265129.db2.gz SIGPSWHLWVZVEZ-ZDUSSCGKSA-N 1 0 383.334 2.450 20 0 GEADRO COCC[NH2+]CCNC(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000417899437 648265699 /nfs/dbraw/zinc/26/56/99/648265699.db2.gz KRYFWNSJXUOUQH-NSHDSACASA-N 1 0 376.270 2.054 20 0 GEADRO [NH3+]CCN(CCO)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000417912186 648266111 /nfs/dbraw/zinc/26/61/11/648266111.db2.gz NVVKRRDNLQSZEU-UHFFFAOYSA-N 1 0 384.318 2.224 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2cc(Cl)ccc2Br)CCO1 ZINC000417916862 648266136 /nfs/dbraw/zinc/26/61/36/648266136.db2.gz WDRMVEHASGPUMA-LBPRGKRZSA-N 1 0 376.682 2.014 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)NCC(F)(F)CN)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417952939 648267323 /nfs/dbraw/zinc/26/73/23/648267323.db2.gz OWFYDLXISIRUMJ-SMDDNHRTSA-N 1 0 378.826 2.365 20 0 GEADRO C[C@@H]1COCCN1CC[NH2+]Cc1ccc(F)cc1I ZINC000417967868 648267691 /nfs/dbraw/zinc/26/76/91/648267691.db2.gz NWFFEJSIPGIQSN-LLVKDONJSA-N 1 0 378.229 2.241 20 0 GEADRO C[NH+]1CCC(CCO)(NCc2ccc(F)cc2I)CC1 ZINC000417980885 648267722 /nfs/dbraw/zinc/26/77/22/648267722.db2.gz BQSHZVFGFFMNBZ-UHFFFAOYSA-N 1 0 392.256 2.367 20 0 GEADRO COCC[NH2+]CCNC(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000417997477 648268627 /nfs/dbraw/zinc/26/86/27/648268627.db2.gz TYHLZTKADHCIRH-WFASDCNBSA-N 1 0 388.306 2.060 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@H](C)CCC[NH3+])C2=O)ccc1Br ZINC000418006318 648269117 /nfs/dbraw/zinc/26/91/17/648269117.db2.gz DYQSHUKFKJOAEH-IUODEOHRSA-N 1 0 397.317 2.289 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418012570 648269481 /nfs/dbraw/zinc/26/94/81/648269481.db2.gz VXOKXMAMYDDSMV-NHYWBVRUSA-N 1 0 385.295 2.492 20 0 GEADRO CCC[NH2+]CCNC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418007346 648269550 /nfs/dbraw/zinc/26/95/50/648269550.db2.gz GGCWEXZWTRAEKP-OAHLLOKOSA-N 1 0 397.317 2.162 20 0 GEADRO CO[C@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)[C@@H](C[NH3+])C1 ZINC000418015543 648270003 /nfs/dbraw/zinc/27/00/03/648270003.db2.gz PYNLZBNIYYNRQH-CABCVRRESA-N 1 0 398.301 2.032 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)C1 ZINC000418017878 648270482 /nfs/dbraw/zinc/27/04/82/648270482.db2.gz HUZSORMXVCQQPD-CQSZACIVSA-N 1 0 394.317 2.341 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[NH2+]C[C@H]3C)nc12 ZINC000418017930 648270486 /nfs/dbraw/zinc/27/04/86/648270486.db2.gz HYHKZFUHYBDOJF-DOMZBBRYSA-N 1 0 394.317 2.245 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)nc12 ZINC000418016693 648270514 /nfs/dbraw/zinc/27/05/14/648270514.db2.gz GDODNPAGKVSRMX-GXTWGEPZSA-N 1 0 394.317 2.387 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000418019146 648270969 /nfs/dbraw/zinc/27/09/69/648270969.db2.gz KHBSYJNUIGSGPK-GFCCVEGCSA-N 1 0 382.306 2.245 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)nc12 ZINC000418020864 648271405 /nfs/dbraw/zinc/27/14/05/648271405.db2.gz OHSBYDVLVPOBNW-CHWSQXEVSA-N 1 0 394.317 2.326 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@](C)(C[NH3+])C3)nc12 ZINC000418023874 648271759 /nfs/dbraw/zinc/27/17/59/648271759.db2.gz SKEQYMUHSHNVLV-INIZCTEOSA-N 1 0 380.290 2.286 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)CCCO1 ZINC000418026177 648271776 /nfs/dbraw/zinc/27/17/76/648271776.db2.gz FRPJWUYZGISDJH-AWEZNQCLSA-N 1 0 381.274 2.190 20 0 GEADRO C[C@H](CCCC(F)(F)F)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418061465 648274143 /nfs/dbraw/zinc/27/41/43/648274143.db2.gz ATRGKSLDZGWVNJ-GHMZBOCLSA-N 1 0 378.361 2.243 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000418069379 648274613 /nfs/dbraw/zinc/27/46/13/648274613.db2.gz FLCYRWYJXHYJHF-UHFFFAOYSA-N 1 0 387.933 2.275 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418069811 648275117 /nfs/dbraw/zinc/27/51/17/648275117.db2.gz QENGHVCEUBVREF-ZDUSSCGKSA-N 1 0 399.333 2.113 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418079122 648276027 /nfs/dbraw/zinc/27/60/27/648276027.db2.gz KGTQSKQXLRKLTP-CXAGYDPISA-N 1 0 385.295 2.479 20 0 GEADRO OCCC[N@@H+]1CCC[C@@H](NCc2ccc(F)cc2I)C1 ZINC000418079381 648276070 /nfs/dbraw/zinc/27/60/70/648276070.db2.gz QIBPRVXFOPWGLL-CQSZACIVSA-N 1 0 392.256 2.367 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C(F)F ZINC000418084577 648276949 /nfs/dbraw/zinc/27/69/49/648276949.db2.gz VUHFNZQPAAODKM-MNOVXSKESA-N 1 0 395.237 2.380 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000418093707 648278625 /nfs/dbraw/zinc/27/86/25/648278625.db2.gz HALXSWDWBBLORE-SNPRPXQTSA-N 1 0 381.318 2.468 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000418096946 648279682 /nfs/dbraw/zinc/27/96/82/648279682.db2.gz XXNVERWMPNWVDZ-OAHLLOKOSA-N 1 0 378.274 2.171 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)s1 ZINC000418102566 648279884 /nfs/dbraw/zinc/27/98/84/648279884.db2.gz HQHKXLIVBXTMCL-UHFFFAOYSA-N 1 0 381.523 2.212 20 0 GEADRO COC(=O)c1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000418105847 648280438 /nfs/dbraw/zinc/28/04/38/648280438.db2.gz BKRLDMVOAMQIJN-STQMWFEESA-N 1 0 385.302 2.123 20 0 GEADRO COC(=O)c1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000418105846 648280614 /nfs/dbraw/zinc/28/06/14/648280614.db2.gz BKRLDMVOAMQIJN-QWHCGFSZSA-N 1 0 385.302 2.123 20 0 GEADRO C[NH2+]CCNC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000418110337 648281517 /nfs/dbraw/zinc/28/15/17/648281517.db2.gz BOBMRPZEEWPFRR-LLVKDONJSA-N 1 0 375.254 2.131 20 0 GEADRO C[C@@H](NC(=O)NCc1ccc(I)cc1Cl)[C@H](C)[NH3+] ZINC000418129744 648283684 /nfs/dbraw/zinc/28/36/84/648283684.db2.gz VEMWBXHGGPOJDB-JGVFFNPUSA-N 1 0 381.645 2.480 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1I ZINC000418137931 648284157 /nfs/dbraw/zinc/28/41/57/648284157.db2.gz FMHYJSZNFVXDPL-ZIAGYGMSSA-N 1 0 399.276 2.351 20 0 GEADRO CC[NH2+]CCNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418155096 648285429 /nfs/dbraw/zinc/28/54/29/648285429.db2.gz KKVFZOMNXQPJHZ-UHFFFAOYSA-N 1 0 381.645 2.353 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCc1ccc(I)c(Cl)c1)C1CC1 ZINC000418155643 648285522 /nfs/dbraw/zinc/28/55/22/648285522.db2.gz LBCQYWWHKOYKJI-GFCCVEGCSA-N 1 0 393.656 2.481 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418162454 648285988 /nfs/dbraw/zinc/28/59/88/648285988.db2.gz QMOORLTYPUMPAG-SFYZADRCSA-N 1 0 381.645 2.480 20 0 GEADRO O=C(NCc1ccc(I)c(Cl)c1)NC1CC[NH2+]CC1 ZINC000418166982 648286229 /nfs/dbraw/zinc/28/62/29/648286229.db2.gz VACYPSDNFZAXNT-UHFFFAOYSA-N 1 0 393.656 2.496 20 0 GEADRO CO[C@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)[C@@H](C[NH3+])C1 ZINC000418174553 648286627 /nfs/dbraw/zinc/28/66/27/648286627.db2.gz DLIGEIIXYGGWLH-MNOVXSKESA-N 1 0 392.244 2.375 20 0 GEADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N(C)CC[NH3+])C1=O ZINC000418180033 648286722 /nfs/dbraw/zinc/28/67/22/648286722.db2.gz GSVAOFBGZMEKAZ-CQSZACIVSA-N 1 0 397.317 2.161 20 0 GEADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N[C@@H](C)C[NH3+])C1=O ZINC000418180847 648286792 /nfs/dbraw/zinc/28/67/92/648286792.db2.gz HWDHZQHQBAFRBG-GXTWGEPZSA-N 1 0 397.317 2.208 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418198403 648287123 /nfs/dbraw/zinc/28/71/23/648287123.db2.gz VDFPYFSHDFMFPB-INIZCTEOSA-N 1 0 392.301 2.222 20 0 GEADRO C[C@@H](NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000418232134 648288936 /nfs/dbraw/zinc/28/89/36/648288936.db2.gz MBEIOXXTSIRMQI-KGLIPLIRSA-N 1 0 387.933 2.191 20 0 GEADRO C[C@H]([NH3+])c1ccc(CNC(=O)NCCn2cc(Br)ccc2=O)cc1 ZINC000418270201 648290677 /nfs/dbraw/zinc/29/06/77/648290677.db2.gz ZHWDCMOXNOXFGJ-LBPRGKRZSA-N 1 0 393.285 2.130 20 0 GEADRO C[NH2+]CCCNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418306190 648292146 /nfs/dbraw/zinc/29/21/46/648292146.db2.gz JURCVVYZFQPOAD-AWEZNQCLSA-N 1 0 383.334 2.447 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1Br ZINC000418311750 648292469 /nfs/dbraw/zinc/29/24/69/648292469.db2.gz GCLZEFIVADJCRD-HOTGVXAUSA-N 1 0 398.345 2.207 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1Br ZINC000418311752 648292575 /nfs/dbraw/zinc/29/25/75/648292575.db2.gz GCLZEFIVADJCRD-JKSUJKDBSA-N 1 0 398.345 2.207 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418327842 648292882 /nfs/dbraw/zinc/29/28/82/648292882.db2.gz ZWKAMVYZLGECDA-AWEZNQCLSA-N 1 0 381.318 2.280 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)N(CCO)Cc1cccc(Br)c1 ZINC000418337861 648293751 /nfs/dbraw/zinc/29/37/51/648293751.db2.gz BZJXIJNNNZOBEQ-CQSZACIVSA-N 1 0 384.318 2.343 20 0 GEADRO C[C@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418341218 648293782 /nfs/dbraw/zinc/29/37/82/648293782.db2.gz LXSCOEJBHHMOHD-RYUDHWBXSA-N 1 0 383.290 2.075 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000418353674 648294102 /nfs/dbraw/zinc/29/41/02/648294102.db2.gz DEQHAFNRXGNPEG-LBPRGKRZSA-N 1 0 380.539 2.286 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418388548 648295717 /nfs/dbraw/zinc/29/57/17/648295717.db2.gz QGHUQPXMORBNLA-MRXNPFEDSA-N 1 0 383.334 2.260 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418394827 648296100 /nfs/dbraw/zinc/29/61/00/648296100.db2.gz BGILRZIQYADTGF-SWLSCSKDSA-N 1 0 390.297 2.022 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418402612 648296420 /nfs/dbraw/zinc/29/64/20/648296420.db2.gz BDDYGLGFGNRSDT-HLLBOEOZSA-N 1 0 398.345 2.417 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000418404057 648296614 /nfs/dbraw/zinc/29/66/14/648296614.db2.gz CJDUJUQRKINPOK-GDBMZVCRSA-N 1 0 384.318 2.471 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418396662 648296672 /nfs/dbraw/zinc/29/66/72/648296672.db2.gz CULHTKDFHXUYPI-CQSZACIVSA-N 1 0 398.305 2.434 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418405356 648297095 /nfs/dbraw/zinc/29/70/95/648297095.db2.gz KYNFDIMJUIYVBZ-CJNGLKHVSA-N 1 0 386.334 2.191 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418408639 648297001 /nfs/dbraw/zinc/29/70/01/648297001.db2.gz NQJDMRKDFAGGFS-OAHLLOKOSA-N 1 0 395.305 2.155 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000418407307 648297080 /nfs/dbraw/zinc/29/70/80/648297080.db2.gz SULVQBYLMJEGSC-OAHLLOKOSA-N 1 0 385.295 2.198 20 0 GEADRO O=C(NCC1C[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000418479390 648297292 /nfs/dbraw/zinc/29/72/92/648297292.db2.gz ALWYRTSTZFOHNC-AWEZNQCLSA-N 1 0 385.249 2.357 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000418478548 648297469 /nfs/dbraw/zinc/29/74/69/648297469.db2.gz ZIOKTDXIRFRCBT-HUUCEWRRSA-N 1 0 397.317 2.149 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000418477363 648297496 /nfs/dbraw/zinc/29/74/96/648297496.db2.gz UNTAODBMLYBBMN-INIZCTEOSA-N 1 0 381.318 2.014 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418483369 648297945 /nfs/dbraw/zinc/29/79/45/648297945.db2.gz CACQRGXWJAKTOY-CYBMUJFWSA-N 1 0 376.320 2.406 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000418513228 648299214 /nfs/dbraw/zinc/29/92/14/648299214.db2.gz UZGPGEKMXTZFTB-UHFFFAOYSA-N 1 0 390.709 2.406 20 0 GEADRO COCC[NH2+]CCNC(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000418515317 648299524 /nfs/dbraw/zinc/29/95/24/648299524.db2.gz YAFSMHOXKQIWJU-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO C[C@]1(CNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CCC[NH2+]C1 ZINC000418538581 648301013 /nfs/dbraw/zinc/30/10/13/648301013.db2.gz LDUHMPLWBONWSU-HOCLYGCPSA-N 1 0 388.281 2.311 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418546574 648301249 /nfs/dbraw/zinc/30/12/49/648301249.db2.gz XLNCCBBOEOUGNK-UHFFFAOYSA-N 1 0 379.302 2.200 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000418592673 648303560 /nfs/dbraw/zinc/30/35/60/648303560.db2.gz DHKOBFGNNVKIPF-MNOVXSKESA-N 1 0 376.320 2.155 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000418588788 648303576 /nfs/dbraw/zinc/30/35/76/648303576.db2.gz ABNYJUAIDPZKOU-RISCZKNCSA-N 1 0 388.281 2.233 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418608649 648304394 /nfs/dbraw/zinc/30/43/94/648304394.db2.gz CWYULPGNXUMHEH-RHSMWYFYSA-N 1 0 395.345 2.274 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCc2c1cccc2Cl ZINC000418610749 648304765 /nfs/dbraw/zinc/30/47/65/648304765.db2.gz GZRZZFKMMLFHCV-AWEZNQCLSA-N 1 0 376.810 2.248 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)C1CCCC1 ZINC000418609654 648304865 /nfs/dbraw/zinc/30/48/65/648304865.db2.gz CMNKAOATCVZRJV-WMLDXEAASA-N 1 0 398.345 2.417 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418614954 648305125 /nfs/dbraw/zinc/30/51/25/648305125.db2.gz XQWXKHZQPWHANT-XNRPHZJLSA-N 1 0 384.318 2.040 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)C1CCCC1 ZINC000418617355 648305263 /nfs/dbraw/zinc/30/52/63/648305263.db2.gz IIIUBVYHVRMWLJ-WMLDXEAASA-N 1 0 398.345 2.417 20 0 GEADRO COC[C@]1(CNC(=O)N(C)CCc2ccc(Br)cc2)CCC[NH2+]1 ZINC000418635935 648305950 /nfs/dbraw/zinc/30/59/50/648305950.db2.gz LKIDDLVDUQKWIK-QGZVFWFLSA-N 1 0 384.318 2.402 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418634516 648306096 /nfs/dbraw/zinc/30/60/96/648306096.db2.gz FRJJJALDRAVDER-INIZCTEOSA-N 1 0 396.329 2.209 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418672355 648306964 /nfs/dbraw/zinc/30/69/64/648306964.db2.gz NFYADKWDCNWFAT-BARDWOONSA-N 1 0 397.260 2.356 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418671654 648306997 /nfs/dbraw/zinc/30/69/97/648306997.db2.gz LHVHORJQENZNJU-SWLSCSKDSA-N 1 0 397.317 2.149 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418680809 648307274 /nfs/dbraw/zinc/30/72/74/648307274.db2.gz CMWSWAKFSWJIFF-CQSZACIVSA-N 1 0 383.334 2.404 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000418692665 648307321 /nfs/dbraw/zinc/30/73/21/648307321.db2.gz ISBLVHFAZOWJLS-KGLIPLIRSA-N 1 0 386.334 2.417 20 0 GEADRO C[C@@H](NC(=O)N1CCN(Cc2ccc(Br)s2)CC1)[C@H](C)[NH3+] ZINC000418697652 648307707 /nfs/dbraw/zinc/30/77/07/648307707.db2.gz MBBOISQZADOPMO-WDEREUQCSA-N 1 0 375.336 2.074 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418707131 648307905 /nfs/dbraw/zinc/30/79/05/648307905.db2.gz PGRQIQOGPFPYQB-WCQYABFASA-N 1 0 390.297 2.166 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418727657 648308382 /nfs/dbraw/zinc/30/83/82/648308382.db2.gz MSZNYHZEBPWUTE-NSHDSACASA-N 1 0 375.336 2.075 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418737368 648308726 /nfs/dbraw/zinc/30/87/26/648308726.db2.gz ZLJKHNOBOOQERP-NEPJUHHUSA-N 1 0 387.297 2.151 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000418757594 648309718 /nfs/dbraw/zinc/30/97/18/648309718.db2.gz HPSHNBUXCOWKRK-HOTGVXAUSA-N 1 0 381.318 2.199 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000418760836 648310060 /nfs/dbraw/zinc/31/00/60/648310060.db2.gz KNDRFOYKZYMMAA-ZDUSSCGKSA-N 1 0 387.347 2.088 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000418765584 648310598 /nfs/dbraw/zinc/31/05/98/648310598.db2.gz PNQXEDBVOBSDLR-LSDHHAIUSA-N 1 0 377.897 2.014 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000418768294 648310880 /nfs/dbraw/zinc/31/08/80/648310880.db2.gz RPANWEISNAOQPL-NWDGAFQWSA-N 1 0 387.347 2.261 20 0 GEADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418768582 648310940 /nfs/dbraw/zinc/31/09/40/648310940.db2.gz PBHVTXBUIXEUGX-CQSZACIVSA-N 1 0 388.281 2.497 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000418773112 648311753 /nfs/dbraw/zinc/31/17/53/648311753.db2.gz XLSYBDFUNHQWIE-CVEARBPZSA-N 1 0 399.308 2.338 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000418775131 648311819 /nfs/dbraw/zinc/31/18/19/648311819.db2.gz WBSYWOBWQVQQGI-NVXWUHKLSA-N 1 0 395.345 2.404 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418774370 648311854 /nfs/dbraw/zinc/31/18/54/648311854.db2.gz VIALMYJJENVKTM-LBPRGKRZSA-N 1 0 376.682 2.232 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418791680 648312994 /nfs/dbraw/zinc/31/29/94/648312994.db2.gz MVJIJTBPLJGBSM-OCVGTWLNSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000418817727 648313900 /nfs/dbraw/zinc/31/39/00/648313900.db2.gz NHIAHNMDDUUZAS-PSHZPRKYSA-N 1 0 384.307 2.409 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000418817726 648314026 /nfs/dbraw/zinc/31/40/26/648314026.db2.gz NHIAHNMDDUUZAS-KFYUAXIPSA-N 1 0 384.307 2.409 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418827027 648314768 /nfs/dbraw/zinc/31/47/68/648314768.db2.gz LGJUSAFRJAMQRU-YUDUHTQSSA-N 1 0 394.313 2.150 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@@H]1C[NH3+] ZINC000418832763 648315418 /nfs/dbraw/zinc/31/54/18/648315418.db2.gz QAZJVPLGXSUHHF-WXYCVUISSA-N 1 0 394.313 2.007 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000418838680 648315863 /nfs/dbraw/zinc/31/58/63/648315863.db2.gz VWPZEOSVQQMZNZ-OWCLPIDISA-N 1 0 394.313 2.022 20 0 GEADRO CN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000418836539 648315934 /nfs/dbraw/zinc/31/59/34/648315934.db2.gz RKUQTZBPJQXPLK-OWCLPIDISA-N 1 0 394.313 2.022 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418843364 648316590 /nfs/dbraw/zinc/31/65/90/648316590.db2.gz JUHHTUCMWIJFNI-OLZOCXBDSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418843734 648316612 /nfs/dbraw/zinc/31/66/12/648316612.db2.gz KMROVVBWUPJRKI-KBPBESRZSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418842234 648316643 /nfs/dbraw/zinc/31/66/43/648316643.db2.gz IFXWNXLBPKLXRE-IVMMDQJWSA-N 1 0 396.329 2.130 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000418856530 648318592 /nfs/dbraw/zinc/31/85/92/648318592.db2.gz XBTPUUOJVZGMRL-RAIGVLPGSA-N 1 0 388.295 2.135 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000418862125 648319017 /nfs/dbraw/zinc/31/90/17/648319017.db2.gz HMECXDMNHFUGCC-GFCCVEGCSA-N 1 0 380.286 2.052 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000418866967 648319497 /nfs/dbraw/zinc/31/94/97/648319497.db2.gz OLVCSDODHCIGFP-YRGRVCCFSA-N 1 0 382.302 2.131 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000418872477 648320253 /nfs/dbraw/zinc/32/02/53/648320253.db2.gz WQQMNXHDXOSCQA-PXAZEXFGSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000418874269 648320364 /nfs/dbraw/zinc/32/03/64/648320364.db2.gz ZJXBFBMIMHCJAK-OLZOCXBDSA-N 1 0 382.302 2.214 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418891141 648321600 /nfs/dbraw/zinc/32/16/00/648321600.db2.gz LIELSVUXXMPKGB-VSBTWAGUSA-N 1 0 384.307 2.470 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418937408 648322546 /nfs/dbraw/zinc/32/25/46/648322546.db2.gz LCKYVQXJDBVIPY-MLGOLLRUSA-N 1 0 394.313 2.214 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418938627 648322882 /nfs/dbraw/zinc/32/28/82/648322882.db2.gz GZKIESBHLZNMOB-BLLLJJGKSA-N 1 0 394.313 2.059 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418947604 648323940 /nfs/dbraw/zinc/32/39/40/648323940.db2.gz SPHBBKCHRAJURF-DETPVDSQSA-N 1 0 394.313 2.138 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418946863 648324079 /nfs/dbraw/zinc/32/40/79/648324079.db2.gz OZRTYCLXNTYMTG-HOTGVXAUSA-N 1 0 394.313 2.356 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418953377 648324826 /nfs/dbraw/zinc/32/48/26/648324826.db2.gz ZXVTZDZFOMCGGO-MLGOLLRUSA-N 1 0 394.313 2.011 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1cccc(Br)c1)C1CCCCC1 ZINC000418995064 648326857 /nfs/dbraw/zinc/32/68/57/648326857.db2.gz QXNMSLBHIOSGBW-INIZCTEOSA-N 1 0 396.329 2.132 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419015319 648327324 /nfs/dbraw/zinc/32/73/24/648327324.db2.gz BNGUUCWOLSEHAR-HIFRSBDPSA-N 1 0 396.329 2.002 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000419045953 648329876 /nfs/dbraw/zinc/32/98/76/648329876.db2.gz UULSXBGHNZSKGZ-ZJUUUORDSA-N 1 0 380.436 2.171 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419051189 648330489 /nfs/dbraw/zinc/33/04/89/648330489.db2.gz FGVAYSSVINAWET-LSDHHAIUSA-N 1 0 396.329 2.145 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000419054928 648330754 /nfs/dbraw/zinc/33/07/54/648330754.db2.gz NBLWOLHCQHVRRY-HIFRSBDPSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419054647 648330832 /nfs/dbraw/zinc/33/08/32/648330832.db2.gz MINYMUZDGMTMNF-LRDDRELGSA-N 1 0 396.329 2.130 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419057757 648331477 /nfs/dbraw/zinc/33/14/77/648331477.db2.gz VGDUDILJCSUHJZ-BPLDGKMQSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000419057392 648331514 /nfs/dbraw/zinc/33/15/14/648331514.db2.gz UURHZXHZOBBQLJ-CHWSQXEVSA-N 1 0 396.329 2.082 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000419063239 648332250 /nfs/dbraw/zinc/33/22/50/648332250.db2.gz GNEKBCQMLKFHNS-SWLSCSKDSA-N 1 0 382.302 2.007 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419068351 648332477 /nfs/dbraw/zinc/33/24/77/648332477.db2.gz SSPMVNOBEYPIOS-BJJXKVORSA-N 1 0 396.329 2.001 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419071926 648332546 /nfs/dbraw/zinc/33/25/46/648332546.db2.gz XAHOYXPAASFRFL-AWEZNQCLSA-N 1 0 396.329 2.145 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419137538 648336866 /nfs/dbraw/zinc/33/68/66/648336866.db2.gz QWSYWCCDYQZKGE-UHFFFAOYSA-N 1 0 390.709 2.352 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1 ZINC000419156089 648337974 /nfs/dbraw/zinc/33/79/74/648337974.db2.gz UQMOVDGBGQYPLD-XHDPSFHLSA-N 1 0 382.302 2.260 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000419159526 648338449 /nfs/dbraw/zinc/33/84/49/648338449.db2.gz ZKOQESAJUUFVRJ-ZGMNHVEMSA-N 1 0 394.313 2.131 20 0 GEADRO CCCN(C(=O)C(=O)NCc1cccc(C)c1Br)C1CC[NH2+]CC1 ZINC000419163626 648338790 /nfs/dbraw/zinc/33/87/90/648338790.db2.gz JXUAYOYQRLKMDX-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1Br ZINC000419171410 648339312 /nfs/dbraw/zinc/33/93/12/648339312.db2.gz XSHBHBGLQZSAGN-CQSZACIVSA-N 1 0 382.302 2.007 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1Br ZINC000419171405 648339413 /nfs/dbraw/zinc/33/94/13/648339413.db2.gz XRWFBYQZVULBKI-OCCSQVGLSA-N 1 0 382.302 2.007 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000419179271 648339599 /nfs/dbraw/zinc/33/95/99/648339599.db2.gz VRPYVRAPDDCGJZ-LBPRGKRZSA-N 1 0 384.307 2.400 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1)C1CC1 ZINC000419179262 648339622 /nfs/dbraw/zinc/33/96/22/648339622.db2.gz VREZARHIAUQFMC-AWEZNQCLSA-N 1 0 384.307 2.385 20 0 GEADRO CC(C)(CNC(=O)C(=O)NC1CCC([NH3+])CC1)c1ccccc1Br ZINC000419184111 648340253 /nfs/dbraw/zinc/34/02/53/648340253.db2.gz JFUFXZMIVFSABC-UHFFFAOYSA-N 1 0 396.329 2.229 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccccc1Br ZINC000419195050 648341215 /nfs/dbraw/zinc/34/12/15/648341215.db2.gz XMGFJOFDEIPQNX-GOSISDBHSA-N 1 0 396.329 2.040 20 0 GEADRO C[C@]1(CNC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]C1 ZINC000419212748 648342115 /nfs/dbraw/zinc/34/21/15/648342115.db2.gz HRAXQGWPOZQIAT-KSSFIOAISA-N 1 0 381.929 2.499 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]C1 ZINC000419225953 648342204 /nfs/dbraw/zinc/34/22/04/648342204.db2.gz CXEUFFOOQKHETM-YWPYICTPSA-N 1 0 381.929 2.497 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2c(C)cc(Br)cc2C)CC1 ZINC000419295685 648345289 /nfs/dbraw/zinc/34/52/89/648345289.db2.gz CZWGOESHCONDRB-UHFFFAOYSA-N 1 0 396.329 2.140 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419299967 648345475 /nfs/dbraw/zinc/34/54/75/648345475.db2.gz KTRYBRQYCCXHEX-UHFFFAOYSA-N 1 0 396.329 2.188 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCc2sccc2Br)CCCCCC1 ZINC000419296779 648345522 /nfs/dbraw/zinc/34/55/22/648345522.db2.gz FOXNVZGEZHKBSB-UHFFFAOYSA-N 1 0 388.331 2.295 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419297183 648345602 /nfs/dbraw/zinc/34/56/02/648345602.db2.gz FXHDKLUMEVTUBL-SFHVURJKSA-N 1 0 394.313 2.037 20 0 GEADRO CCC[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419302483 648346090 /nfs/dbraw/zinc/34/60/90/648346090.db2.gz MGZYQGSUHDUKFF-DOMZBBRYSA-N 1 0 388.295 2.137 20 0 GEADRO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000419320406 648346426 /nfs/dbraw/zinc/34/64/26/648346426.db2.gz DRORSRTWXLMJGF-KGLIPLIRSA-N 1 0 388.339 2.339 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000419320411 648346514 /nfs/dbraw/zinc/34/65/14/648346514.db2.gz DRORSRTWXLMJGF-ZIAGYGMSSA-N 1 0 388.339 2.339 20 0 GEADRO CCCN(C(=O)C(=O)NCc1sccc1Br)C1CC[NH2+]CC1 ZINC000419305825 648346611 /nfs/dbraw/zinc/34/66/11/648346611.db2.gz XKRCMXMTLPXHQM-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)CN1CCO ZINC000419330889 648347641 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GEADRO CC[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)Cc1cccc(Br)c1 ZINC000419366154 648350407 /nfs/dbraw/zinc/35/04/07/648350407.db2.gz SBKCLGGZHYJSKS-CZUORRHYSA-N 1 0 398.345 2.234 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419492367 648354503 /nfs/dbraw/zinc/35/45/03/648354503.db2.gz LKXZVIOERYCJFU-KBPBESRZSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000419585069 648357091 /nfs/dbraw/zinc/35/70/91/648357091.db2.gz KAOUTQZUZALAKC-ZBEGNZNMSA-N 1 0 394.313 2.138 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br)C1CCCC1 ZINC000419588828 648357418 /nfs/dbraw/zinc/35/74/18/648357418.db2.gz PGCAAUXUUQOUAV-CVEARBPZSA-N 1 0 394.313 2.186 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)C1 ZINC000419604449 648357766 /nfs/dbraw/zinc/35/77/66/648357766.db2.gz ZNTIMIGGTGFQEC-OLZOCXBDSA-N 1 0 386.323 2.499 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc(Cl)sc3Cl)C[C@@H]21 ZINC000419618345 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SREUUESURWXYMJ-GWCFXTLKSA-N 1 0 379.320 2.247 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)n1C ZINC000419713751 648370102 /nfs/dbraw/zinc/37/01/02/648370102.db2.gz RTZCUJYOTXDNCK-ZDUSSCGKSA-N 1 0 399.308 2.329 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Br)s1 ZINC000419715278 648370530 /nfs/dbraw/zinc/37/05/30/648370530.db2.gz UFBKJEFFNAKFIW-SNVBAGLBSA-N 1 0 388.331 2.194 20 0 GEADRO CC1(C)C[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000419731860 648372244 /nfs/dbraw/zinc/37/22/44/648372244.db2.gz PDFQCRNWWSQMQD-LBPRGKRZSA-N 1 0 391.331 2.391 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000419736213 648372975 /nfs/dbraw/zinc/37/29/75/648372975.db2.gz WXEAZCCRURQCNQ-GWCFXTLKSA-N 1 0 386.279 2.131 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419749399 648374261 /nfs/dbraw/zinc/37/42/61/648374261.db2.gz QDLGTXIGVAPNHJ-LRDDRELGSA-N 1 0 396.329 2.001 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419752378 648374885 /nfs/dbraw/zinc/37/48/85/648374885.db2.gz WNBJYDVFNTXEBZ-MRXNPFEDSA-N 1 0 396.329 2.132 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C1CC1 ZINC000419766897 648376283 /nfs/dbraw/zinc/37/62/83/648376283.db2.gz ZIMFBKAEQGPYTI-NSHDSACASA-N 1 0 396.221 2.065 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419764215 648376473 /nfs/dbraw/zinc/37/64/73/648376473.db2.gz VVNCXJWHZGJIHJ-MRVPVSSYSA-N 1 0 398.237 2.183 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419771789 648377373 /nfs/dbraw/zinc/37/73/73/648377373.db2.gz FUQIIJPTRCNHRP-HUUCEWRRSA-N 1 0 398.276 2.024 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](CC)c1cc(F)cc(Br)c1 ZINC000419772588 648377389 /nfs/dbraw/zinc/37/73/89/648377389.db2.gz GRYVYKAPKKSASY-AWEZNQCLSA-N 1 0 388.281 2.271 20 0 GEADRO CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1cc(F)cc(Br)c1 ZINC000419773498 648377420 /nfs/dbraw/zinc/37/74/20/648377420.db2.gz HNDPIYJZGSXVCP-KBPBESRZSA-N 1 0 388.281 2.255 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419776491 648377867 /nfs/dbraw/zinc/37/78/67/648377867.db2.gz KTOOCSXOAZGBPN-YMTOWFKASA-N 1 0 386.265 2.009 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419803021 648380014 /nfs/dbraw/zinc/38/00/14/648380014.db2.gz MFKJPCSBUHRQRW-UHFFFAOYSA-N 1 0 396.329 2.494 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419801886 648380057 /nfs/dbraw/zinc/38/00/57/648380057.db2.gz AXWOXKMNCCDVCO-ZFWWWQNUSA-N 1 0 396.329 2.002 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419803120 648380100 /nfs/dbraw/zinc/38/01/00/648380100.db2.gz BTEXDUFVSRUIIE-IUODEOHRSA-N 1 0 384.318 2.130 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+][C@H](CO)[C@@H](C)O ZINC000419807777 648380881 /nfs/dbraw/zinc/38/08/81/648380881.db2.gz JFBZTHODPLATQH-RDDDGLTNSA-N 1 0 383.080 2.052 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419818135 648381830 /nfs/dbraw/zinc/38/18/30/648381830.db2.gz LEKCJDWRKXBKRM-SCLBCKFNSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[NH2+]1 ZINC000419822362 648382273 /nfs/dbraw/zinc/38/22/73/648382273.db2.gz PLVCPXWMBOKDRY-DOMZBBRYSA-N 1 0 396.329 2.100 20 0 GEADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000419828498 648383024 /nfs/dbraw/zinc/38/30/24/648383024.db2.gz RXXACGUFVHMFCZ-KGLIPLIRSA-N 1 0 376.291 2.468 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1ccc(Br)cc1 ZINC000419829744 648383058 /nfs/dbraw/zinc/38/30/58/648383058.db2.gz VHFGGTVCXDICDO-OAHLLOKOSA-N 1 0 396.329 2.101 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419828960 648383088 /nfs/dbraw/zinc/38/30/88/648383088.db2.gz UROSLKYZNRYRKE-OAHLLOKOSA-N 1 0 396.329 2.053 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000419837255 648384024 /nfs/dbraw/zinc/38/40/24/648384024.db2.gz CTGFHZYLIQJVRR-NEPJUHHUSA-N 1 0 388.295 2.087 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000419836735 648384162 /nfs/dbraw/zinc/38/41/62/648384162.db2.gz CCGTYCHEQZXTMD-CABCVRRESA-N 1 0 398.276 2.120 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000419837481 648384452 /nfs/dbraw/zinc/38/44/52/648384452.db2.gz CYURFZSHQHBSLP-LRDDRELGSA-N 1 0 375.519 2.152 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419895759 648386750 /nfs/dbraw/zinc/38/67/50/648386750.db2.gz SZQHDMRBBYLVIW-SWLSCSKDSA-N 1 0 398.276 2.120 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419907748 648387894 /nfs/dbraw/zinc/38/78/94/648387894.db2.gz GTFYYAXEWQUQTL-ZDUSSCGKSA-N 1 0 388.295 2.089 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419910935 648388102 /nfs/dbraw/zinc/38/81/02/648388102.db2.gz IURBQAHURVJMIC-XJKSGUPXSA-N 1 0 394.313 2.228 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419910932 648388155 /nfs/dbraw/zinc/38/81/55/648388155.db2.gz IURBQAHURVJMIC-BBRMVZONSA-N 1 0 394.313 2.228 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000419935700 648389938 /nfs/dbraw/zinc/38/99/38/648389938.db2.gz CWZKXJPDBUHAIH-ZDUSSCGKSA-N 1 0 396.329 2.040 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000419957725 648391560 /nfs/dbraw/zinc/39/15/60/648391560.db2.gz PCTOZODFBMIOKM-CYBMUJFWSA-N 1 0 388.281 2.036 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419986059 648392894 /nfs/dbraw/zinc/39/28/94/648392894.db2.gz XDBVBEAPNVJSHN-CYBMUJFWSA-N 1 0 394.313 2.037 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000420005380 648395035 /nfs/dbraw/zinc/39/50/35/648395035.db2.gz XPDRFEZCMHEONO-INIZCTEOSA-N 1 0 387.293 2.439 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420004354 648395075 /nfs/dbraw/zinc/39/50/75/648395075.db2.gz VCKNIDWGRGNMRR-INIZCTEOSA-N 1 0 396.329 2.444 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000420022654 648396407 /nfs/dbraw/zinc/39/64/07/648396407.db2.gz WGRDJOYPXJQFNY-INIZCTEOSA-N 1 0 396.329 2.255 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420032125 648397443 /nfs/dbraw/zinc/39/74/43/648397443.db2.gz FYRNAFMCRZKGRY-LALPHHSUSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1)C1CC1 ZINC000420050994 648398035 /nfs/dbraw/zinc/39/80/35/648398035.db2.gz ZPWOGJCXSXZTNS-INIZCTEOSA-N 1 0 394.313 2.009 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420071577 648399677 /nfs/dbraw/zinc/39/96/77/648399677.db2.gz WUMYSSZVRCAOSS-GDBMZVCRSA-N 1 0 396.329 2.084 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000420086854 648400501 /nfs/dbraw/zinc/40/05/01/648400501.db2.gz ZNFPFOVJGDJDJV-UHFFFAOYSA-N 1 0 384.318 2.350 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420092453 648401161 /nfs/dbraw/zinc/40/11/61/648401161.db2.gz BWQFQQLSHJWKQE-BBRMVZONSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000420109410 648401912 /nfs/dbraw/zinc/40/19/12/648401912.db2.gz DPYWDTNNBHYEJU-KCXAZCMYSA-N 1 0 381.929 2.071 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000420103282 648402009 /nfs/dbraw/zinc/40/20/09/648402009.db2.gz PDVKYUNUXYIJKX-CJNGLKHVSA-N 1 0 377.535 2.453 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420110705 648402315 /nfs/dbraw/zinc/40/23/15/648402315.db2.gz WFZGIKJZFXCLTM-GOSISDBHSA-N 1 0 396.329 2.222 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420118083 648402670 /nfs/dbraw/zinc/40/26/70/648402670.db2.gz IFBCATLVRKBIAI-XJKSGUPXSA-N 1 0 396.329 2.443 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000420120893 648403212 /nfs/dbraw/zinc/40/32/12/648403212.db2.gz KFGREFCVFZUAHO-DAXOMENPSA-N 1 0 394.313 2.369 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000420124824 648403743 /nfs/dbraw/zinc/40/37/43/648403743.db2.gz OZQJUKJLKKSTAE-LLVKDONJSA-N 1 0 376.320 2.103 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420127828 648403825 /nfs/dbraw/zinc/40/38/25/648403825.db2.gz PIKRHZRAAFIKJH-WFASDCNBSA-N 1 0 382.302 2.054 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420135631 648405007 /nfs/dbraw/zinc/40/50/07/648405007.db2.gz HGJNHDJSONWEHS-UHFFFAOYSA-N 1 0 394.313 2.222 20 0 GEADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420142983 648405618 /nfs/dbraw/zinc/40/56/18/648405618.db2.gz WHCUUPMDRHGITK-LLVKDONJSA-N 1 0 382.291 2.475 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420154607 648406654 /nfs/dbraw/zinc/40/66/54/648406654.db2.gz COZUHPRYLILMPQ-OAHLLOKOSA-N 1 0 396.329 2.302 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000420162598 648407115 /nfs/dbraw/zinc/40/71/15/648407115.db2.gz KPWVOKMMQREHDL-SWLSCSKDSA-N 1 0 382.302 2.054 20 0 GEADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420206497 648409448 /nfs/dbraw/zinc/40/94/48/648409448.db2.gz KEUSTOZRFIPCPB-IACUBPJLSA-N 1 0 384.307 2.456 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000420214288 648409753 /nfs/dbraw/zinc/40/97/53/648409753.db2.gz VFRNRLORAKRYHB-DAXOMENPSA-N 1 0 394.313 2.356 20 0 GEADRO CC(C)Cc1ncnc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1I ZINC000420267927 648412322 /nfs/dbraw/zinc/41/23/22/648412322.db2.gz XDHFXYMEXMZSOH-NEPJUHHUSA-N 1 0 386.281 2.325 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NCC(=O)Nc1ccc(I)cc1 ZINC000420365540 648414622 /nfs/dbraw/zinc/41/46/22/648414622.db2.gz QFHUPBADQXIIJN-GFCCVEGCSA-N 1 0 375.254 2.193 20 0 GEADRO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1cccc(I)c1 ZINC000420387861 648414977 /nfs/dbraw/zinc/41/49/77/648414977.db2.gz WETFUYSTKDUAOV-MRXNPFEDSA-N 1 0 399.276 2.305 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420406242 648416015 /nfs/dbraw/zinc/41/60/15/648416015.db2.gz QWOQJTDFCXEFHQ-WBMJQRKESA-N 1 0 399.276 2.446 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420447471 648417061 /nfs/dbraw/zinc/41/70/61/648417061.db2.gz JPIXEBBSIKGUCT-GXSJLCMTSA-N 1 0 379.707 2.475 20 0 GEADRO [NH3+]CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C(F)F ZINC000420463663 648418208 /nfs/dbraw/zinc/41/82/08/648418208.db2.gz OFOTZWVAUMBZLZ-MRVPVSSYSA-N 1 0 377.638 2.363 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc1Br ZINC000420469597 648419244 /nfs/dbraw/zinc/41/92/44/648419244.db2.gz VUKWGYXQPYJYRC-JTQLQIEISA-N 1 0 387.246 2.109 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420471429 648419752 /nfs/dbraw/zinc/41/97/52/648419752.db2.gz AXZXOEIIMUGCPT-QGZVFWFLSA-N 1 0 380.491 2.205 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420471428 648419817 /nfs/dbraw/zinc/41/98/17/648419817.db2.gz AXZXOEIIMUGCPT-KRWDZBQOSA-N 1 0 380.491 2.205 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)nn1 ZINC000420474564 648420330 /nfs/dbraw/zinc/42/03/30/648420330.db2.gz FUKUZKDBGBXMMV-NSHDSACASA-N 1 0 390.296 2.069 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420474725 648420816 /nfs/dbraw/zinc/42/08/16/648420816.db2.gz KIKJDJOIQPYOBV-CQSZACIVSA-N 1 0 377.279 2.413 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)nn1 ZINC000420477519 648420826 /nfs/dbraw/zinc/42/08/26/648420826.db2.gz JXPZHXAQQTWXQH-LLVKDONJSA-N 1 0 390.296 2.069 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000420478431 648421482 /nfs/dbraw/zinc/42/14/82/648421482.db2.gz LCIKUKVFCCLOJG-LLVKDONJSA-N 1 0 390.296 2.069 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420483310 648421902 /nfs/dbraw/zinc/42/19/02/648421902.db2.gz VVVBULMBHMTYKL-ZYHUDNBSSA-N 1 0 391.331 2.372 20 0 GEADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000420681147 648434350 /nfs/dbraw/zinc/43/43/50/648434350.db2.gz XGVLCCQWVJEYEE-LBPRGKRZSA-N 1 0 398.859 2.067 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000420744680 648448295 /nfs/dbraw/zinc/44/82/95/648448295.db2.gz YGRCRXRFYKSDAL-ZDUSSCGKSA-N 1 0 391.331 2.314 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000420745615 648448956 /nfs/dbraw/zinc/44/89/56/648448956.db2.gz ZACJEVPCLCGFGV-SECBINFHSA-N 1 0 383.258 2.442 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CC12CCSCC2)c1cccs1 ZINC000420756389 648451454 /nfs/dbraw/zinc/45/14/54/648451454.db2.gz DUWUBUGCSGOBJV-ZIAGYGMSSA-N 1 0 381.567 2.117 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421240494 648477223 /nfs/dbraw/zinc/47/72/23/648477223.db2.gz WCXOUGISRPYXAL-CYBMUJFWSA-N 1 0 394.313 2.186 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421290930 648484071 /nfs/dbraw/zinc/48/40/71/648484071.db2.gz VMXXPEZFZQUQOL-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000421300683 648486198 /nfs/dbraw/zinc/48/61/98/648486198.db2.gz IBFONZSQJGVLQL-LBPRGKRZSA-N 1 0 395.301 2.213 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)c(=O)n(C)c1=O ZINC000421364382 648488826 /nfs/dbraw/zinc/48/88/26/648488826.db2.gz RUXMRSLJCHMUDR-OAHLLOKOSA-N 1 0 392.297 2.054 20 0 GEADRO CCOc1cc(C[N@H+](C[C@@H](O)CO)C(C)C)cc(Br)c1OC ZINC000421399383 648490614 /nfs/dbraw/zinc/49/06/14/648490614.db2.gz AEWYGOKXXIUIBJ-CYBMUJFWSA-N 1 0 376.291 2.420 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000421701710 648505457 /nfs/dbraw/zinc/50/54/57/648505457.db2.gz IHXWNIWNFGPQJH-OAHLLOKOSA-N 1 0 382.302 2.122 20 0 GEADRO COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000421849708 648509633 /nfs/dbraw/zinc/50/96/33/648509633.db2.gz CJGWIXQAZSKLQP-TZMCWYRMSA-N 1 0 375.922 2.270 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000422003407 648516995 /nfs/dbraw/zinc/51/69/95/648516995.db2.gz CVVGHDJCEROXBZ-UHFFFAOYSA-N 1 0 382.302 2.168 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000422085196 648520593 /nfs/dbraw/zinc/52/05/93/648520593.db2.gz LTNCECDBBDVMOG-AWEZNQCLSA-N 1 0 396.329 2.222 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@H]21 ZINC000516745661 648534029 /nfs/dbraw/zinc/53/40/29/648534029.db2.gz NZVYGWMPLBKZPF-YUSALJHKSA-N 1 0 379.262 2.083 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422298190 648534924 /nfs/dbraw/zinc/53/49/24/648534924.db2.gz RJNNKDDGFZRXLD-CYBMUJFWSA-N 1 0 384.318 2.220 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1ccc(Cl)cn1 ZINC000422335196 648537586 /nfs/dbraw/zinc/53/75/86/648537586.db2.gz HZEYOSHUBMRKIP-UHFFFAOYSA-N 1 0 380.901 2.003 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccsc2Br)C1 ZINC000422337362 648537955 /nfs/dbraw/zinc/53/79/55/648537955.db2.gz KWXOBXCFPGFCPA-GFCCVEGCSA-N 1 0 388.331 2.068 20 0 GEADRO CS[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000422340801 648538391 /nfs/dbraw/zinc/53/83/91/648538391.db2.gz NNPIQVUBEPDCED-HZPDHXFCSA-N 1 0 383.583 2.429 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000422512008 648554057 /nfs/dbraw/zinc/55/40/57/648554057.db2.gz DOJJCRUQLYBNLD-HNNXBMFYSA-N 1 0 394.313 2.069 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000422511433 648554234 /nfs/dbraw/zinc/55/42/34/648554234.db2.gz CPUHLGGUBCUZGF-HNNXBMFYSA-N 1 0 396.329 2.315 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000422516853 648554966 /nfs/dbraw/zinc/55/49/66/648554966.db2.gz KNJDHYBKLXSASU-AWEZNQCLSA-N 1 0 396.329 2.174 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1Cl ZINC000422555489 648559135 /nfs/dbraw/zinc/55/91/35/648559135.db2.gz QBGZIOLJGNVFMJ-WOPDTQHZSA-N 1 0 376.906 2.351 20 0 GEADRO C[C@@H]1C[C@@H](C)N(Cc2nnnn2-c2ccccc2Br)C[C@H]1C[NH3+] ZINC000422625206 648563655 /nfs/dbraw/zinc/56/36/55/648563655.db2.gz AYAWBEUWKRTCFJ-JHJVBQTASA-N 1 0 379.306 2.230 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422634162 648564202 /nfs/dbraw/zinc/56/42/02/648564202.db2.gz JGHSBURNLFYICN-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422978571 648579692 /nfs/dbraw/zinc/57/96/92/648579692.db2.gz ZQIKUPHEPOSEKN-BBRMVZONSA-N 1 0 396.329 2.226 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000422990861 648579712 /nfs/dbraw/zinc/57/97/12/648579712.db2.gz AEEUWHHMZDCWFJ-GOSISDBHSA-N 1 0 394.313 2.010 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000422993836 648580517 /nfs/dbraw/zinc/58/05/17/648580517.db2.gz GLXIIPPIJYMRBP-UHFFFAOYSA-N 1 0 394.313 2.010 20 0 GEADRO C[C@@H](NCC(=O)Nc1ccc(I)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423107759 648580525 /nfs/dbraw/zinc/58/05/25/648580525.db2.gz QHHBQQQAJNQALA-RISCZKNCSA-N 1 0 387.265 2.350 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(Br)cc2)C(C)C)C1 ZINC000423113525 648581943 /nfs/dbraw/zinc/58/19/43/648581943.db2.gz YJWURFWGANVYBZ-INIZCTEOSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000423120631 648582488 /nfs/dbraw/zinc/58/24/88/648582488.db2.gz HKRDHQFROQYAQR-SWLSCSKDSA-N 1 0 382.302 2.073 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000423121125 648583014 /nfs/dbraw/zinc/58/30/14/648583014.db2.gz IFHKEUVSSYGKDO-CQSZACIVSA-N 1 0 396.329 2.256 20 0 GEADRO CC(C)[C@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000423128428 648583354 /nfs/dbraw/zinc/58/33/54/648583354.db2.gz QKKXLDQDRQDQNL-WFASDCNBSA-N 1 0 384.318 2.305 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000423132974 648583766 /nfs/dbraw/zinc/58/37/66/648583766.db2.gz JSIPDZRAZFPZIS-ZWNOBZJWSA-N 1 0 378.274 2.239 20 0 GEADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170269 648586646 /nfs/dbraw/zinc/58/66/46/648586646.db2.gz LMNPZGIAWXLIBF-HACGYAERSA-N 1 0 389.309 2.096 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCC(=O)N(C)Cc2ccccc2Br)C1 ZINC000423176476 648587235 /nfs/dbraw/zinc/58/72/35/648587235.db2.gz GATHHHUKFHKREC-CJNGLKHVSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423240614 648588308 /nfs/dbraw/zinc/58/83/08/648588308.db2.gz KTAVAUOGICLTQG-ABAIWWIYSA-N 1 0 398.326 2.447 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000423362233 648590078 /nfs/dbraw/zinc/59/00/78/648590078.db2.gz MZHABAZXUJCDAD-CRAIPNDOSA-N 1 0 381.929 2.154 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423423092 648590656 /nfs/dbraw/zinc/59/06/56/648590656.db2.gz KSHODQLAXZVSKP-DYVFJYSZSA-N 1 0 376.298 2.476 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423458265 648591147 /nfs/dbraw/zinc/59/11/47/648591147.db2.gz PQOBBXJFOZLMLC-HIFRSBDPSA-N 1 0 396.329 2.302 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423451906 648591288 /nfs/dbraw/zinc/59/12/88/648591288.db2.gz HBIKYIUOCAXFKE-IUODEOHRSA-N 1 0 396.329 2.159 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC000423488196 648592778 /nfs/dbraw/zinc/59/27/78/648592778.db2.gz YMPXRCALEGQARY-LBPRGKRZSA-N 1 0 384.307 2.466 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000423492974 648593106 /nfs/dbraw/zinc/59/31/06/648593106.db2.gz APEZFVLGMSINBV-INIZCTEOSA-N 1 0 394.313 2.105 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)CC[NH2+]1 ZINC000423507006 648593651 /nfs/dbraw/zinc/59/36/51/648593651.db2.gz JICYACJNXDCTKN-CYBMUJFWSA-N 1 0 394.313 2.008 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000423523519 648594132 /nfs/dbraw/zinc/59/41/32/648594132.db2.gz VYQOHOOMZFNYOA-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000423558817 648595530 /nfs/dbraw/zinc/59/55/30/648595530.db2.gz DFUAUHDWOLGTNC-LLVKDONJSA-N 1 0 388.331 2.242 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)c2ccccc2Br)C1 ZINC000423560193 648595549 /nfs/dbraw/zinc/59/55/49/648595549.db2.gz KXQMGHGTZGVPBD-OLZOCXBDSA-N 1 0 382.302 2.179 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000423569072 648596018 /nfs/dbraw/zinc/59/60/18/648596018.db2.gz MALFFWYOHJOTMX-AWEZNQCLSA-N 1 0 382.291 2.429 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000423624665 648597777 /nfs/dbraw/zinc/59/77/77/648597777.db2.gz QBWJVADDAZCHEH-ZBFHGGJFSA-N 1 0 381.929 2.373 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000423653639 648598060 /nfs/dbraw/zinc/59/80/60/648598060.db2.gz ZLOCUMQFAUVZQW-MRXNPFEDSA-N 1 0 381.929 2.230 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000423686019 648599466 /nfs/dbraw/zinc/59/94/66/648599466.db2.gz SRCUAXMAIXQRMS-GWCFXTLKSA-N 1 0 388.331 2.197 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N(C)[C@@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000423715932 648600398 /nfs/dbraw/zinc/60/03/98/648600398.db2.gz HZTIPOWSTITXFJ-RYUDHWBXSA-N 1 0 390.311 2.415 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)[C@H]1C[NH3+] ZINC000423726075 648600769 /nfs/dbraw/zinc/60/07/69/648600769.db2.gz IBAWENXBTHLCTF-BBRMVZONSA-N 1 0 396.329 2.036 20 0 GEADRO [NH3+]CC[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C(F)(F)F ZINC000423722296 648600814 /nfs/dbraw/zinc/60/08/14/648600814.db2.gz FOYVDOAMJQLSKO-LBPRGKRZSA-N 1 0 397.191 2.159 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000423721318 648600880 /nfs/dbraw/zinc/60/08/80/648600880.db2.gz DZQLWSNCVMBGHU-WBMJQRKESA-N 1 0 396.329 2.302 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)N(C)[C@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000423715934 648600988 /nfs/dbraw/zinc/60/09/88/648600988.db2.gz HZTIPOWSTITXFJ-VXGBXAGGSA-N 1 0 390.311 2.415 20 0 GEADRO COC[C@]1(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)CC[NH2+]C1 ZINC000423813363 648601987 /nfs/dbraw/zinc/60/19/87/648601987.db2.gz QLKJHVNUFSOZAD-KRWDZBQOSA-N 1 0 383.279 3.052 20 0 GEADRO COC[C@@]1(C(=O)NCCCc2ccc(Br)cc2OC)CC[NH2+]C1 ZINC000423858035 648602858 /nfs/dbraw/zinc/60/28/58/648602858.db2.gz ZRHDCOFOKWXKMF-QGZVFWFLSA-N 1 0 385.302 2.133 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423955123 648605164 /nfs/dbraw/zinc/60/51/64/648605164.db2.gz ONABULYAFHUFCI-CQDKDKBSSA-N 1 0 382.302 2.009 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000423953376 648605248 /nfs/dbraw/zinc/60/52/48/648605248.db2.gz LUDTYJADLHWHJB-ZIAGYGMSSA-N 1 0 382.302 2.292 20 0 GEADRO CN(CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(=O)c1ccc(Br)o1 ZINC000423966152 648606268 /nfs/dbraw/zinc/60/62/68/648606268.db2.gz GFYJRUJGHAGFLU-STQMWFEESA-N 1 0 398.301 2.105 20 0 GEADRO [NH3+]CCC[C@H](NC(=O)c1nc2ncc(Br)cn2n1)c1ccccc1 ZINC000423974273 648606294 /nfs/dbraw/zinc/60/62/94/648606294.db2.gz RWAXXCYRJXKXPK-ZDUSSCGKSA-N 1 0 389.257 2.097 20 0 GEADRO C[C@@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@H]1C[NH3+] ZINC000424000756 648608662 /nfs/dbraw/zinc/60/86/62/648608662.db2.gz OORVSFJJOSDCQI-DGCLKSJQSA-N 1 0 383.286 2.206 20 0 GEADRO Cc1cc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)ccc1Br ZINC000424004449 648609102 /nfs/dbraw/zinc/60/91/02/648609102.db2.gz QTANQKXDBNSIDU-AWEZNQCLSA-N 1 0 378.274 2.285 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000424009927 648609707 /nfs/dbraw/zinc/60/97/07/648609707.db2.gz ICNADPWKVARXRL-YLQAJVPDSA-N 1 0 396.329 2.460 20 0 GEADRO Cc1ccc(CC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000424007995 648609811 /nfs/dbraw/zinc/60/98/11/648609811.db2.gz VTWMPSMJRMDXID-HNNXBMFYSA-N 1 0 392.301 2.214 20 0 GEADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CC[NH3+] ZINC000424013806 648610127 /nfs/dbraw/zinc/61/01/27/648610127.db2.gz XQAKCTFMWQDENU-ZDUSSCGKSA-N 1 0 378.325 2.262 20 0 GEADRO COc1ccc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(I)c1 ZINC000424033734 648610217 /nfs/dbraw/zinc/61/02/17/648610217.db2.gz YKVUPGYKJSPQDI-OAHLLOKOSA-N 1 0 386.233 2.268 20 0 GEADRO CN(CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21)C(=O)c1ccc(Br)o1 ZINC000424078194 648610898 /nfs/dbraw/zinc/61/08/98/648610898.db2.gz PUMHTCKIIMPWJM-LBPRGKRZSA-N 1 0 392.253 2.031 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)C(C)(C)c3ccc(Br)cc3)C[C@H]2[NH3+])cn1 ZINC000424229526 648621174 /nfs/dbraw/zinc/62/11/74/648621174.db2.gz XMEJNCRKHPUQGW-JKSUJKDBSA-N 1 0 391.313 2.414 20 0 GEADRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc(I)c1 ZINC000424331180 648623148 /nfs/dbraw/zinc/62/31/48/648623148.db2.gz IZNNDQCHKHKZJS-LERXQTSPSA-N 1 0 387.265 2.478 20 0 GEADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(Cl)c1 ZINC000424348606 648623370 /nfs/dbraw/zinc/62/33/70/648623370.db2.gz LUUPDKDAHLDDJS-QWHCGFSZSA-N 1 0 375.922 2.270 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424391362 648626579 /nfs/dbraw/zinc/62/65/79/648626579.db2.gz MTSBXDMDKPYXIO-LBPRGKRZSA-N 1 0 386.901 2.279 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000424420220 648627690 /nfs/dbraw/zinc/62/76/90/648627690.db2.gz UYWAVTXCIHAFCK-VXGBXAGGSA-N 1 0 379.262 2.421 20 0 GEADRO C[C@@H]1CC2(CN1C(=O)C(=O)NCc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424484742 648631237 /nfs/dbraw/zinc/63/12/37/648631237.db2.gz AUQTVGIRROVMIH-CYBMUJFWSA-N 1 0 394.313 2.056 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000424661342 648636932 /nfs/dbraw/zinc/63/69/32/648636932.db2.gz VYBJCCWXFHDQDV-ZDUSSCGKSA-N 1 0 398.345 2.379 20 0 GEADRO COc1ncc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1Br ZINC000424672395 648637836 /nfs/dbraw/zinc/63/78/36/648637836.db2.gz AZZFUPZJBBFGEN-UHFFFAOYSA-N 1 0 398.301 2.037 20 0 GEADRO COc1ncc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Br ZINC000424728763 648641999 /nfs/dbraw/zinc/64/19/99/648641999.db2.gz BTHRUDFCMQGLLH-NWANDNLSSA-N 1 0 398.301 2.176 20 0 GEADRO Cc1oc(Br)cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000424752534 648644261 /nfs/dbraw/zinc/64/42/61/648644261.db2.gz XHAPBTYOXPNRDY-WFASDCNBSA-N 1 0 384.318 2.449 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000424792882 648647544 /nfs/dbraw/zinc/64/75/44/648647544.db2.gz LUVLNXWEZJHXHG-ZDUSSCGKSA-N 1 0 385.302 2.295 20 0 GEADRO COC(=O)[C@]12C[N@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C[C@H]1CCCC2 ZINC000425443820 648678148 /nfs/dbraw/zinc/67/81/48/648678148.db2.gz MOAHKHYJWCTPQO-CXAGYDPISA-N 1 0 386.539 2.164 20 0 GEADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCCCCS(C)(=O)=O)CC1 ZINC000425563391 648685096 /nfs/dbraw/zinc/68/50/96/648685096.db2.gz ASVQZCUJPDFQDV-UHFFFAOYSA-N 1 0 375.579 2.353 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425754094 648694861 /nfs/dbraw/zinc/69/48/61/648694861.db2.gz IBUHZTQTEYVJMF-UHFFFAOYSA-N 1 0 375.803 2.433 20 0 GEADRO CC[NH+](CC)CCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000426848601 648716107 /nfs/dbraw/zinc/71/61/07/648716107.db2.gz PPTBXTPZNJQWGR-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000426859558 648716804 /nfs/dbraw/zinc/71/68/04/648716804.db2.gz QTSXEICOMZETAF-IUODEOHRSA-N 1 0 388.331 2.208 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000428558550 648736795 /nfs/dbraw/zinc/73/67/95/648736795.db2.gz LNSOEMRSUVGZOJ-UKRRQHHQSA-N 1 0 386.334 2.240 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000428565952 648737718 /nfs/dbraw/zinc/73/77/18/648737718.db2.gz MHQPQBKFARVQFT-UHFFFAOYSA-N 1 0 390.756 2.086 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000428591878 648740173 /nfs/dbraw/zinc/74/01/73/648740173.db2.gz AMLZZTPUJCEESP-DZGCQCFKSA-N 1 0 396.329 2.136 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000428606315 648741129 /nfs/dbraw/zinc/74/11/29/648741129.db2.gz ZGLGRLZGCVBCKD-HOCLYGCPSA-N 1 0 396.329 2.136 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000428606349 648741172 /nfs/dbraw/zinc/74/11/72/648741172.db2.gz ZOFSCPOGHAQXJK-UNEWFSDZSA-N 1 0 398.345 2.382 20 0 GEADRO Cc1csc(=O)n1CC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429011489 648742590 /nfs/dbraw/zinc/74/25/90/648742590.db2.gz SMKBRGIIYMZWGD-CYBMUJFWSA-N 1 0 375.263 2.443 20 0 GEADRO C[C@@H]([NH3+])CCNC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000429023335 648743102 /nfs/dbraw/zinc/74/31/02/648743102.db2.gz FAOCECDSZJBFCW-LLVKDONJSA-N 1 0 388.331 2.364 20 0 GEADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429025789 648743778 /nfs/dbraw/zinc/74/37/78/648743778.db2.gz XRZXCFHZMXECPE-AWEZNQCLSA-N 1 0 382.295 2.425 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000429095532 648744297 /nfs/dbraw/zinc/74/42/97/648744297.db2.gz SCGXQJQGJVRQIJ-IUODEOHRSA-N 1 0 382.302 2.072 20 0 GEADRO CCC[N@@H+](CC(N)=O)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000429118127 648745182 /nfs/dbraw/zinc/74/51/82/648745182.db2.gz RPYJYPUQCJXIOY-LLVKDONJSA-N 1 0 379.682 2.040 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000429139466 648746008 /nfs/dbraw/zinc/74/60/08/648746008.db2.gz XTJVNDFKLOAIES-AWEZNQCLSA-N 1 0 387.571 2.462 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429161216 648747332 /nfs/dbraw/zinc/74/73/32/648747332.db2.gz JAEATBZWRKXAIB-KCXAZCMYSA-N 1 0 383.945 2.387 20 0 GEADRO C[C@](C[NH3+])(NC(=O)c1[nH]nc2ccc(I)cc21)C1CC1 ZINC000429234100 648747873 /nfs/dbraw/zinc/74/78/73/648747873.db2.gz XVLBZVXQKUOMOM-CQSZACIVSA-N 1 0 384.221 2.025 20 0 GEADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000429286795 648748965 /nfs/dbraw/zinc/74/89/65/648748965.db2.gz TWDNETLFDZMLQG-DOTOQJQBSA-N 1 0 383.330 2.355 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000429294427 648749800 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O=C(CNC(=O)c1sccc1OC(F)F)NCC[NH+]1CCCCCC1 ZINC000552701658 651155531 /nfs/dbraw/zinc/15/55/31/651155531.db2.gz WLJRWCVVINOMPX-UHFFFAOYSA-N 1 0 375.441 2.072 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000552794414 651158264 /nfs/dbraw/zinc/15/82/64/651158264.db2.gz AHZBKEQNWZHKCK-NSHDSACASA-N 1 0 395.305 2.374 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000552887745 651160472 /nfs/dbraw/zinc/16/04/72/651160472.db2.gz WTVYFIPPBQPIKQ-OAHLLOKOSA-N 1 0 396.329 2.283 20 0 GEADRO CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000553036288 651162690 /nfs/dbraw/zinc/16/26/90/651162690.db2.gz LDDYHCGBUZUINS-QGZVFWFLSA-N 1 0 375.579 2.019 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)CC1 ZINC000553649278 651184410 /nfs/dbraw/zinc/18/44/10/651184410.db2.gz YTDJGXUWYRXUFX-MRXNPFEDSA-N 1 0 394.313 2.401 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000553695631 651185739 /nfs/dbraw/zinc/18/57/39/651185739.db2.gz FUWCALOTBZRMSY-HNNXBMFYSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCn2cc(Br)ccc2=O)C[C@@H](C)C1 ZINC000553784063 651188410 /nfs/dbraw/zinc/18/84/10/651188410.db2.gz MGLKGJJJXQHBGD-DZKIICNBSA-N 1 0 396.329 2.190 20 0 GEADRO COCc1ccccc1CS(=O)(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000553857304 651190772 /nfs/dbraw/zinc/19/07/72/651190772.db2.gz BRGYHXKFFWAEMY-ROUUACIJSA-N 1 0 384.567 2.174 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000553860033 651191040 /nfs/dbraw/zinc/19/10/40/651191040.db2.gz RDVHOHSMIRLRAG-WFASDCNBSA-N 1 0 384.885 2.078 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C(C)C)s1 ZINC000553895438 651192942 /nfs/dbraw/zinc/19/29/42/651192942.db2.gz KDJCDTFZDSUTON-UHFFFAOYSA-N 1 0 388.559 2.377 20 0 GEADRO C[C@@H](CNC(=O)NCCn1cc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000553895450 651193212 /nfs/dbraw/zinc/19/32/12/651193212.db2.gz LFORCLSZEMAYBV-AWEZNQCLSA-N 1 0 394.317 2.465 20 0 GEADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl ZINC000554375576 651203431 /nfs/dbraw/zinc/20/34/31/651203431.db2.gz RWOFQGXBYANBMK-TZMCWYRMSA-N 1 0 375.922 2.270 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H](C)CC(N)=O ZINC000554626708 651208867 /nfs/dbraw/zinc/20/88/67/651208867.db2.gz ACRLFBFNPJKCMV-LLVKDONJSA-N 1 0 387.274 2.053 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000554848477 651214366 /nfs/dbraw/zinc/21/43/66/651214366.db2.gz LGBQVFUXSHKYPV-XFBWCDHKSA-N 1 0 376.881 2.180 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCc1cscn1)c1ccsc1 ZINC000555893036 651232259 /nfs/dbraw/zinc/23/22/59/651232259.db2.gz WWAMRBOFCKYZIF-HNNXBMFYSA-N 1 0 380.539 2.063 20 0 GEADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000556105514 651236753 /nfs/dbraw/zinc/23/67/53/651236753.db2.gz WBTGXRCRJMFIQH-DPIJAWOKSA-N 1 0 384.567 2.381 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)C1 ZINC000556235909 651238912 /nfs/dbraw/zinc/23/89/12/651238912.db2.gz ISJYFLKLAMYICW-BHUNQDJPSA-N 1 0 388.599 2.066 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(Cl)ccc1F ZINC000556397837 651242630 /nfs/dbraw/zinc/24/26/30/651242630.db2.gz GURXBYBTEPFDBO-SNPRPXQTSA-N 1 0 376.881 2.351 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cccc(I)c1 ZINC000556407443 651243410 /nfs/dbraw/zinc/24/34/10/651243410.db2.gz RPIFHOROJMLIQB-UHFFFAOYSA-N 1 0 396.294 2.052 20 0 GEADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000556519568 651245936 /nfs/dbraw/zinc/24/59/36/651245936.db2.gz PJLWCYUNHBGYHN-HNNXBMFYSA-N 1 0 383.290 2.367 20 0 GEADRO Oc1cccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1Br ZINC000556780196 651252338 /nfs/dbraw/zinc/25/23/38/651252338.db2.gz PGOVITSOJNZBAQ-UHFFFAOYSA-N 1 0 385.302 2.126 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)sc1C(F)(F)F ZINC000556813039 651253705 /nfs/dbraw/zinc/25/37/05/651253705.db2.gz JSRWZRGLZHUTFY-SNVBAGLBSA-N 1 0 378.420 2.257 20 0 GEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000556925303 651257227 /nfs/dbraw/zinc/25/72/27/651257227.db2.gz PDFUXYUIZWOASP-AWEZNQCLSA-N 1 0 389.949 2.163 20 0 GEADRO O=C(Nc1ccc(-c2ccc(Br)s2)nn1)N[C@H]1CCC[NH2+]C1 ZINC000557005673 651259984 /nfs/dbraw/zinc/25/99/84/651259984.db2.gz JMBGJHDFCZQWOG-VIFPVBQESA-N 1 0 382.287 2.841 20 0 GEADRO C[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)Oc1ccc(Br)cc1 ZINC000557169789 651265539 /nfs/dbraw/zinc/26/55/39/651265539.db2.gz SVNLRGTWZOSQBI-RDBSUJKOSA-N 1 0 382.302 2.467 20 0 GEADRO C[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Oc1cccc(Br)c1 ZINC000557169684 651265548 /nfs/dbraw/zinc/26/55/48/651265548.db2.gz OMYWAOXVWBWTOX-MGPQQGTHSA-N 1 0 382.302 2.467 20 0 GEADRO OC[C@@H]([NH2+]Cc1nc(-c2cc(Br)cs2)no1)C1CCOCC1 ZINC000557931998 651276434 /nfs/dbraw/zinc/27/64/34/651276434.db2.gz XOJWTYZQKDHFJT-LLVKDONJSA-N 1 0 388.287 2.438 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000559524263 651297046 /nfs/dbraw/zinc/29/70/46/651297046.db2.gz WFZADVCPZJUHRA-JTQLQIEISA-N 1 0 378.420 2.177 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000559602437 651298526 /nfs/dbraw/zinc/29/85/26/651298526.db2.gz PAJFSYZYQSDLCB-ZIAGYGMSSA-N 1 0 396.329 2.444 20 0 GEADRO CCOC[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000560574800 651311809 /nfs/dbraw/zinc/31/18/09/651311809.db2.gz PKTZUSCPXDZHDH-GFCCVEGCSA-N 1 0 379.320 2.132 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000560583022 651311966 /nfs/dbraw/zinc/31/19/66/651311966.db2.gz NVRRLFLFIKVKFQ-DJIMGWMZSA-N 1 0 384.929 2.474 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000560668853 651313715 /nfs/dbraw/zinc/31/37/15/651313715.db2.gz ADSOMZKIMSYBDK-CYBMUJFWSA-N 1 0 384.318 2.254 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000560668903 651313753 /nfs/dbraw/zinc/31/37/53/651313753.db2.gz AZWRAJXFXNIUJE-LBPRGKRZSA-N 1 0 390.311 2.083 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(-n2cncn2)cc1Cl ZINC000560906446 651472007 /nfs/dbraw/zinc/47/20/07/651472007.db2.gz FHOZRPFZTXHYDY-GFCCVEGCSA-N 1 0 385.921 2.289 20 0 GEADRO [NH3+]CCSCc1cn(CC(=O)NCCc2cccc(Cl)c2Cl)nn1 ZINC000603208905 651472358 /nfs/dbraw/zinc/47/23/58/651472358.db2.gz NZOLTOLCDSVPHQ-UHFFFAOYSA-N 1 0 388.324 2.136 20 0 GEADRO CCC[N@H+](C)[C@@H](CNC(=O)CN(C)S(=O)(=O)CC)c1ccc(Cl)cc1 ZINC000560972508 651472981 /nfs/dbraw/zinc/47/29/81/651472981.db2.gz DKDXKQIUWVNJOV-INIZCTEOSA-N 1 0 389.949 2.121 20 0 GEADRO CC(C)(CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1Br ZINC000642651194 651473379 /nfs/dbraw/zinc/47/33/79/651473379.db2.gz DJFHISNTUDAJRH-CYBMUJFWSA-N 1 0 396.329 2.101 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000642700449 651474020 /nfs/dbraw/zinc/47/40/20/651474020.db2.gz JANAKNGOQUXMAE-LBPRGKRZSA-N 1 0 398.326 2.052 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Br)s2)CC[C@H]1C(F)(F)F ZINC000717085319 651474735 /nfs/dbraw/zinc/47/47/35/651474735.db2.gz REUGNZRRQJVMBA-RQJHMYQMSA-N 1 0 393.250 2.411 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717129949 651474804 /nfs/dbraw/zinc/47/48/04/651474804.db2.gz GOTJVQOJPYJSKH-OLZOCXBDSA-N 1 0 384.489 2.292 20 0 GEADRO CCOC(=O)c1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Br ZINC000603267783 651474902 /nfs/dbraw/zinc/47/49/02/651474902.db2.gz BSWWKGQTVAVSSX-CYBMUJFWSA-N 1 0 398.301 2.322 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc1Br ZINC000717319534 651475064 /nfs/dbraw/zinc/47/50/64/651475064.db2.gz DATVNCULWDPMEJ-PRHODGIISA-N 1 0 397.107 2.442 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(Br)c1OC ZINC000561151555 651475359 /nfs/dbraw/zinc/47/53/59/651475359.db2.gz ZKBIJRINPDBNFE-JSGCOSHPSA-N 1 0 398.301 2.360 20 0 GEADRO COc1ccc(Br)c2[nH]c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc21 ZINC000642950371 651476008 /nfs/dbraw/zinc/47/60/08/651476008.db2.gz IXXICCSCZYDIMV-KRWDZBQOSA-N 1 0 398.301 2.372 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CCC[NH2+]C3)nc12 ZINC000561188280 651476417 /nfs/dbraw/zinc/47/64/17/651476417.db2.gz VUPHYMRASHPOBQ-CYBMUJFWSA-N 1 0 394.317 2.247 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(I)ccc1O ZINC000720847367 651476441 /nfs/dbraw/zinc/47/64/41/651476441.db2.gz YGWNHCAUCWIYOY-OLZOCXBDSA-N 1 0 386.233 2.306 20 0 GEADRO CO[C@@]1(C[NH2+][C@H]2CCc3sc(Br)cc32)CCS(=O)(=O)C1 ZINC000721154615 651476717 /nfs/dbraw/zinc/47/67/17/651476717.db2.gz QBVNVILWQAQGCM-GXFFZTMASA-N 1 0 380.329 2.291 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3Cl)C2)nn1 ZINC000643080970 651477483 /nfs/dbraw/zinc/47/74/83/651477483.db2.gz RNDKNCPMHWHVOC-ZDUSSCGKSA-N 1 0 383.283 2.319 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1ccc(Br)cc1Br ZINC000721876262 651477613 /nfs/dbraw/zinc/47/76/13/651477613.db2.gz WKDVQQONZINHBA-GMSGAONNSA-N 1 0 398.120 2.098 20 0 GEADRO C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CS1 ZINC000721797325 651477637 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O=C(COC(=O)Cc1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000725982600 651484691 /nfs/dbraw/zinc/48/46/91/651484691.db2.gz HEUKBPSOMDVIIM-UHFFFAOYSA-N 1 0 395.297 2.278 20 0 GEADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000562063193 651487824 /nfs/dbraw/zinc/48/78/24/651487824.db2.gz BDAVQHFWAFIITM-DZGCQCFKSA-N 1 0 381.416 2.306 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C(F)(F)F ZINC000726187133 651487855 /nfs/dbraw/zinc/48/78/55/651487855.db2.gz LSIBNMSXOIERDE-STQMWFEESA-N 1 0 378.416 2.155 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000643592958 651490003 /nfs/dbraw/zinc/49/00/03/651490003.db2.gz SPUIGEANAIXQCY-QILLFSRXSA-N 1 0 379.298 2.148 20 0 GEADRO Cc1c([C@@H](C)NC[C@@H]2C[NH2+]CCCO2)nnn1-c1cccc(Br)c1 ZINC000643542455 651490004 /nfs/dbraw/zinc/49/00/04/651490004.db2.gz AFVSIQGYPJCHMO-WBMJQRKESA-N 1 0 394.317 2.367 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ncc(I)s1 ZINC000603428255 651490072 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CSYIEDMIFBMSLS-UHFFFAOYSA-N 1 0 389.265 2.173 20 0 GEADRO C[C@@H](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)n1cc(Br)cn1 ZINC000648789692 651803711 /nfs/dbraw/zinc/80/37/11/651803711.db2.gz IJMJBUSWSPXFOC-KBPBESRZSA-N 1 0 399.333 2.214 20 0 GEADRO Brc1c[nH+]c(NCc2cccc3c2OCO3)cc1N1CCOCC1 ZINC000648860219 651806346 /nfs/dbraw/zinc/80/63/46/651806346.db2.gz WVCZUSZHNCMDPB-UHFFFAOYSA-N 1 0 392.253 3.022 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000736074517 651809570 /nfs/dbraw/zinc/80/95/70/651809570.db2.gz GBBGHGHYYNQDCM-UHFFFAOYSA-N 1 0 387.933 2.294 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614065608 651811460 /nfs/dbraw/zinc/81/14/60/651811460.db2.gz QSHHGMVMAAKDMI-QGZVFWFLSA-N 1 0 385.302 2.295 20 0 GEADRO CO[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1Br ZINC000614071548 651811764 /nfs/dbraw/zinc/81/17/64/651811764.db2.gz REJDMZGAYVDSAV-NVXWUHKLSA-N 1 0 385.302 2.052 20 0 GEADRO CS(=O)(=O)NCCC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000649044144 651812276 /nfs/dbraw/zinc/81/22/76/651812276.db2.gz UQXAZNSRDMVEGF-UHFFFAOYSA-N 1 0 385.555 2.142 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000571131792 651812574 /nfs/dbraw/zinc/81/25/74/651812574.db2.gz ZYVDHBPTSMBYGZ-NSHDSACASA-N 1 0 385.306 2.328 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000571149904 651813618 /nfs/dbraw/zinc/81/36/18/651813618.db2.gz FLHYTSBFTPSPHR-CYBMUJFWSA-N 1 0 382.302 2.283 20 0 GEADRO Cc1cc(C)c(Br)c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000649071732 651813855 /nfs/dbraw/zinc/81/38/55/651813855.db2.gz QFLNTZCBODBOEP-CYBMUJFWSA-N 1 0 382.302 2.258 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000649069082 651813879 /nfs/dbraw/zinc/81/38/79/651813879.db2.gz PVUFUPZHVKFZLK-BLLLJJGKSA-N 1 0 394.313 2.057 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c[nH]c2cccc(Br)c12 ZINC000649072411 651814333 /nfs/dbraw/zinc/81/43/33/651814333.db2.gz DECNCWLTYRTLKU-NSHDSACASA-N 1 0 393.285 2.122 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000571163499 651814430 /nfs/dbraw/zinc/81/44/30/651814430.db2.gz XLTYTXUOTYBJQJ-WHCBVINPSA-N 1 0 383.286 2.471 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(Br)c(Cl)c1 ZINC000649075250 651815057 /nfs/dbraw/zinc/81/50/57/651815057.db2.gz ZJEJOCOGABMPLC-JTQLQIEISA-N 1 0 388.693 2.295 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCCc1cccc(Br)c1 ZINC000649074355 651815128 /nfs/dbraw/zinc/81/51/28/651815128.db2.gz GWSUESUUNIEHLM-AWEZNQCLSA-N 1 0 396.329 2.350 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649132285 651817067 /nfs/dbraw/zinc/81/70/67/651817067.db2.gz STXPQOLXLRDMGS-UHFFFAOYSA-N 1 0 397.313 2.323 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1I ZINC000571208843 651817959 /nfs/dbraw/zinc/81/79/59/651817959.db2.gz WGPFFFUZCMPKHY-LLVKDONJSA-N 1 0 396.294 2.395 20 0 GEADRO O=C(C[C@H]1CCC[NH2+]1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000571213881 651817975 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GEADRO C[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1(C)C ZINC000614409584 651826387 /nfs/dbraw/zinc/82/63/87/651826387.db2.gz IGEAQHQKDLRIDT-CABCVRRESA-N 1 0 382.302 2.474 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614445938 651827952 /nfs/dbraw/zinc/82/79/52/651827952.db2.gz FDYYAXKKXWFDQH-AWEZNQCLSA-N 1 0 382.302 2.479 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC(Cn2cncn2)CC1)c1ccc(Br)cc1 ZINC000571401975 651830948 /nfs/dbraw/zinc/83/09/48/651830948.db2.gz DCIHFSWXTPRWRK-KRWDZBQOSA-N 1 0 392.301 2.153 20 0 GEADRO CCC[N@H+](C)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)c1ccc(Cl)cc1 ZINC000614675379 651832025 /nfs/dbraw/zinc/83/20/25/651832025.db2.gz VSJIZXRBDBPCME-BBRMVZONSA-N 1 0 389.949 2.167 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000571539284 651838975 /nfs/dbraw/zinc/83/89/75/651838975.db2.gz DURSNOOZLRJFLZ-UMVBOHGHSA-N 1 0 396.333 2.380 20 0 GEADRO CCC(=O)N[C@@H](C)C(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000649988751 651839394 /nfs/dbraw/zinc/83/93/94/651839394.db2.gz JUXSYCLFJLJPCD-ZDUSSCGKSA-N 1 0 399.333 2.434 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000571640593 651845314 /nfs/dbraw/zinc/84/53/14/651845314.db2.gz HZAUDRXUSHLQNK-VHSXEESVSA-N 1 0 382.258 2.027 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000571640591 651845384 /nfs/dbraw/zinc/84/53/84/651845384.db2.gz HZAUDRXUSHLQNK-NXEZZACHSA-N 1 0 382.258 2.027 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CSC1(C)C ZINC000571672523 651847687 /nfs/dbraw/zinc/84/76/87/651847687.db2.gz WLNSGHQNMQQTLB-HNNXBMFYSA-N 1 0 391.580 2.128 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)s1 ZINC000650204078 651848446 /nfs/dbraw/zinc/84/84/46/651848446.db2.gz XBLLHEAAXLHVEC-LBPRGKRZSA-N 1 0 375.560 2.344 20 0 GEADRO O=c1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)nc2ccc(Br)cn12 ZINC000650215704 651849400 /nfs/dbraw/zinc/84/94/00/651849400.db2.gz JSAYBVISKPEOSI-QGZVFWFLSA-N 1 0 378.270 2.460 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000571778538 651853480 /nfs/dbraw/zinc/85/34/80/651853480.db2.gz VPHUBCLCPUGJRK-DGCLKSJQSA-N 1 0 388.295 2.217 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)CC[C@@H]3CC[NH2+]C3)C2=O)ccc1Br ZINC000571797820 651854570 /nfs/dbraw/zinc/85/45/70/651854570.db2.gz YUOFAKGLCDASGH-CJNGLKHVSA-N 1 0 394.313 2.369 20 0 GEADRO C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H](C)N1CCOCC1 ZINC000571810197 651855567 /nfs/dbraw/zinc/85/55/67/651855567.db2.gz HUGNEUKREPYDMO-KBPBESRZSA-N 1 0 394.317 2.229 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc(F)cc1Br ZINC000615269132 651858607 /nfs/dbraw/zinc/85/86/07/651858607.db2.gz JZMQQHUMAIDOKZ-CVEARBPZSA-N 1 0 385.277 2.452 20 0 GEADRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000571881996 651859282 /nfs/dbraw/zinc/85/92/82/651859282.db2.gz KEXMPQCLAAYJJB-HUUCEWRRSA-N 1 0 379.507 2.036 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cc(F)c(F)cc3Br)C2)CC1 ZINC000615273878 651859415 /nfs/dbraw/zinc/85/94/15/651859415.db2.gz YKSGOYZAGHTTMH-UHFFFAOYSA-N 1 0 388.256 2.047 20 0 GEADRO CN1CCN(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@@H](C[NH3+])C1 ZINC000571897083 651860337 /nfs/dbraw/zinc/86/03/37/651860337.db2.gz LJEAGGFWXSCEPS-IHRRRGAJSA-N 1 0 399.308 2.119 20 0 GEADRO C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650490727 651861106 /nfs/dbraw/zinc/86/11/06/651861106.db2.gz GNDHUWBGPVISDX-CQSZACIVSA-N 1 0 385.555 2.093 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000615314128 651861565 /nfs/dbraw/zinc/86/15/65/651861565.db2.gz LKECGOUUHGQASJ-SMDDNHRTSA-N 1 0 378.274 2.194 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CCn1cc(Br)cn1)Cc1ccccc1 ZINC000615331258 651861680 /nfs/dbraw/zinc/86/16/80/651861680.db2.gz MKVZZZFJYGCVTK-INIZCTEOSA-N 1 0 379.302 2.325 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000615378393 651863541 /nfs/dbraw/zinc/86/35/41/651863541.db2.gz YRXJAGKVOPVZAD-UHFFFAOYSA-N 1 0 395.257 2.231 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCN(CC(F)F)C1)COc1cc(F)cc(Br)c1 ZINC000571994363 651866182 /nfs/dbraw/zinc/86/61/82/651866182.db2.gz OWTQSICMNLTBTH-QWHCGFSZSA-N 1 0 397.235 2.257 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N3CC[N@@H+]4CC[C@H]3C4)CC2=O)ccc1Br ZINC000615565039 651868076 /nfs/dbraw/zinc/86/80/76/651868076.db2.gz QVTOGRUMFSLOMG-HIFRSBDPSA-N 1 0 392.297 2.027 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000572017652 651868130 /nfs/dbraw/zinc/86/81/30/651868130.db2.gz GBPNCPMFVLPUED-CABCVRRESA-N 1 0 386.901 2.422 20 0 GEADRO C[N@@H+](CCC(=O)N1CCOc2ccccc21)CCn1cc(Br)cn1 ZINC000572075211 651871397 /nfs/dbraw/zinc/87/13/97/651871397.db2.gz KSGREEVLAFMKMT-UHFFFAOYSA-N 1 0 393.285 2.393 20 0 GEADRO C[NH+](C)CCOc1ccc(CNc2nnc3ccc(Br)cn32)cc1 ZINC000651172239 651874014 /nfs/dbraw/zinc/87/40/14/651874014.db2.gz OLGSRDVYOTUILU-UHFFFAOYSA-N 1 0 390.285 3.044 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1ccc(F)cc1Br ZINC000572134298 651875404 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CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000572406903 651891042 /nfs/dbraw/zinc/89/10/42/651891042.db2.gz VDLBGYOSBNMGKA-RISCZKNCSA-N 1 0 379.295 2.396 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000572438440 651892284 /nfs/dbraw/zinc/89/22/84/651892284.db2.gz QRRWLVGWDDAYAG-UHOFOFEASA-N 1 0 388.917 2.221 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)[NH+]1CCCC1 ZINC000572443205 651892733 /nfs/dbraw/zinc/89/27/33/651892733.db2.gz FBLFLHDBQUYWJZ-FZMZJTMJSA-N 1 0 380.286 2.475 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000738366273 651893315 /nfs/dbraw/zinc/89/33/15/651893315.db2.gz HGMJDCYLDWVVLK-UHFFFAOYSA-N 1 0 382.507 2.417 20 0 GEADRO COC(=O)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572475887 651894595 /nfs/dbraw/zinc/89/45/95/651894595.db2.gz YGPUIVOZMASPQW-LLVKDONJSA-N 1 0 380.666 2.385 20 0 GEADRO COC(=O)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572475888 651894643 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GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000573464924 651958477 /nfs/dbraw/zinc/95/84/77/651958477.db2.gz CCPIHXZLAUFSTR-KRWDZBQOSA-N 1 0 395.345 2.465 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000654404412 651959764 /nfs/dbraw/zinc/95/97/64/651959764.db2.gz JHZQGHNHCXHDOU-KLPPZKSPSA-N 1 0 384.274 2.317 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000654549605 651963535 /nfs/dbraw/zinc/96/35/35/651963535.db2.gz XKRKPEWVWFGXGG-LLVKDONJSA-N 1 0 388.331 2.182 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Br)c[nH]1 ZINC000617698049 651963587 /nfs/dbraw/zinc/96/35/87/651963587.db2.gz MUQBUNZNEMIVNK-HNNXBMFYSA-N 1 0 378.270 2.274 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCCc1cccs1 ZINC000573551860 651964001 /nfs/dbraw/zinc/96/40/01/651964001.db2.gz ORJQHENXFCVGEK-UHFFFAOYSA-N 1 0 379.551 2.449 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@H](C)[NH2+]C3CC3)C2=O)ccc1Br ZINC000573562447 651964951 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GEADRO COc1c(Br)ccc(C)c1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617763069 651971089 /nfs/dbraw/zinc/97/10/89/651971089.db2.gz COAFLZQKQXAUGP-UHFFFAOYSA-N 1 0 386.334 2.379 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617757282 651971114 /nfs/dbraw/zinc/97/11/14/651971114.db2.gz ZXKFNJMOGSAUPF-SNVBAGLBSA-N 1 0 391.331 2.231 20 0 GEADRO CCOC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000573678250 651973286 /nfs/dbraw/zinc/97/32/86/651973286.db2.gz SHGXYNVMGZABNM-ZBFHGGJFSA-N 1 0 385.302 2.240 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)CC12CCOCC2 ZINC000573684282 651973665 /nfs/dbraw/zinc/97/36/65/651973665.db2.gz VYTYZFAXDWNTRS-VIFPVBQESA-N 1 0 385.338 2.431 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)CC12CCOCC2 ZINC000573684281 651973758 /nfs/dbraw/zinc/97/37/58/651973758.db2.gz VYTYZFAXDWNTRS-SECBINFHSA-N 1 0 385.338 2.431 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000655088362 651977128 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20 0 GEADRO O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2sc(Cl)cc2C1 ZINC000573921109 651988695 /nfs/dbraw/zinc/98/86/95/651988695.db2.gz JBNCNRAUDGPNMB-OLZOCXBDSA-N 1 0 381.929 2.134 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000742589579 651993436 /nfs/dbraw/zinc/99/34/36/651993436.db2.gz BLXGHQFPMPPNOK-AWEZNQCLSA-N 1 0 383.286 2.487 20 0 GEADRO Brc1cnn(CCC[NH2+]Cc2cnc(N3CCOCC3)s2)c1 ZINC000574033807 651996389 /nfs/dbraw/zinc/99/63/89/651996389.db2.gz SZNIDNNRECXSBL-UHFFFAOYSA-N 1 0 386.319 2.119 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574159833 652004439 /nfs/dbraw/zinc/00/44/39/652004439.db2.gz SQAPNCRFSJGGFI-OLZOCXBDSA-N 1 0 381.318 2.372 20 0 GEADRO CN(C(=O)c1n[nH]c2ccc(I)cc21)C1(C[NH3+])CCC1 ZINC000574160321 652004653 /nfs/dbraw/zinc/00/46/53/652004653.db2.gz UJALKLUOHFAUTK-UHFFFAOYSA-N 1 0 384.221 2.121 20 0 GEADRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000574180850 652006261 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ZINC000574824338 652046144 /nfs/dbraw/zinc/04/61/44/652046144.db2.gz SUPKRSGLCSRBHH-CQSZACIVSA-N 1 0 396.329 2.222 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Cl ZINC000574869769 652048443 /nfs/dbraw/zinc/04/84/43/652048443.db2.gz LMRSPJOUYLEEOH-LBPRGKRZSA-N 1 0 385.917 2.451 20 0 GEADRO CC(C)C[C@H](CNc1ncc(S(N)(=O)=O)s1)[NH2+][C@@H](C)c1ccccc1 ZINC000574968334 652055379 /nfs/dbraw/zinc/05/53/79/652055379.db2.gz FZRZROUVPCEOAP-DZGCQCFKSA-N 1 0 382.555 2.968 20 0 GEADRO CO[C@@H](CS(=O)(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[C@H]1CCOC1 ZINC000656736486 652055286 /nfs/dbraw/zinc/05/52/86/652055286.db2.gz ASPKLEJKOINKDT-BBRMVZONSA-N 1 0 376.906 2.195 20 0 GEADRO CO[C@@H](CS(=O)(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[C@@H]1CCOC1 ZINC000656736487 652055433 /nfs/dbraw/zinc/05/54/33/652055433.db2.gz ASPKLEJKOINKDT-CJNGLKHVSA-N 1 0 376.906 2.195 20 0 GEADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000574977468 652055743 /nfs/dbraw/zinc/05/57/43/652055743.db2.gz 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ZINC000656952891 652073704 /nfs/dbraw/zinc/07/37/04/652073704.db2.gz GNUQMXKIVFETPT-UHFFFAOYSA-N 1 0 376.320 2.197 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)Cc2ccc(Br)s2)C[C@@H](C)O1 ZINC000619741211 652075301 /nfs/dbraw/zinc/07/53/01/652075301.db2.gz QRAUKYZJTKUQCI-UPJWGTAASA-N 1 0 377.348 2.413 20 0 GEADRO CO[C@@H](CS(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000656963525 652075830 /nfs/dbraw/zinc/07/58/30/652075830.db2.gz YGPOMFOEHHNDJB-SJORKVTESA-N 1 0 376.563 2.002 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000575794972 652077668 /nfs/dbraw/zinc/07/76/68/652077668.db2.gz MVCUOYMZXMRNAW-GFCCVEGCSA-N 1 0 388.306 2.351 20 0 GEADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000575796927 652078397 /nfs/dbraw/zinc/07/83/97/652078397.db2.gz UCEYIVNTCHSKHE-HZPDHXFCSA-N 1 0 392.297 2.434 20 0 GEADRO OC[C@]1(F)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000619816187 652080176 /nfs/dbraw/zinc/08/01/76/652080176.db2.gz OJKOGNLMTTZMRZ-AWEZNQCLSA-N 1 0 379.213 2.466 20 0 GEADRO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000575831281 652080767 /nfs/dbraw/zinc/08/07/67/652080767.db2.gz LDCZFJHDJNASKJ-JKSUJKDBSA-N 1 0 381.567 2.439 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000619896135 652083675 /nfs/dbraw/zinc/08/36/75/652083675.db2.gz ZHALCDDDKJTCEO-GDBMZVCRSA-N 1 0 394.313 2.403 20 0 GEADRO O=C(NCc1nccn1CC(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000575933536 652086012 /nfs/dbraw/zinc/08/60/12/652086012.db2.gz PIIHDBXVYOSCQN-CYBMUJFWSA-N 1 0 376.448 2.279 20 0 GEADRO CO[C@@H](C[NH3+])C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000575981078 652088544 /nfs/dbraw/zinc/08/85/44/652088544.db2.gz ZVJUFILVODJIOO-HOTGVXAUSA-N 1 0 378.270 2.218 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000576059652 652093657 /nfs/dbraw/zinc/09/36/57/652093657.db2.gz KUHFFHLLRGDPKA-JTQLQIEISA-N 1 0 380.436 2.187 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(F)c(Br)c2F)CC1=O ZINC000620160426 652093873 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C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC(=O)N1CCCCCC1 ZINC000576684353 652137506 /nfs/dbraw/zinc/13/75/06/652137506.db2.gz CESQOYKXXIHFGD-AWEZNQCLSA-N 1 0 384.318 2.382 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(c2nc3c(cccc3Br)s2)CC1 ZINC000621251149 652137424 /nfs/dbraw/zinc/13/74/24/652137424.db2.gz GZIAHSISFUFZJE-UHFFFAOYSA-N 1 0 383.315 2.269 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000621276567 652141052 /nfs/dbraw/zinc/14/10/52/652141052.db2.gz LUABPPZBZBPXHW-INIZCTEOSA-N 1 0 375.485 2.019 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CCC[C@@H](C[NH3+])C1 ZINC000576823914 652145957 /nfs/dbraw/zinc/14/59/57/652145957.db2.gz XLHLTNFCAFNLAK-RYUDHWBXSA-N 1 0 387.265 2.289 20 0 GEADRO CSC1(CNC(=O)Nc2nnc(CC(F)(F)F)s2)CC[NH+](C)CC1 ZINC000576867910 652149903 /nfs/dbraw/zinc/14/99/03/652149903.db2.gz SZMXQJRMMMUPTC-UHFFFAOYSA-N 1 0 383.465 2.592 20 0 GEADRO CCCc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000621337984 652150213 /nfs/dbraw/zinc/15/02/13/652150213.db2.gz PKFNLOCXMHRNHE-UHFFFAOYSA-N 1 0 382.555 2.377 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1CO ZINC000621367781 652152392 /nfs/dbraw/zinc/15/23/92/652152392.db2.gz FVFZGKNRMUMKNB-RYUDHWBXSA-N 1 0 375.332 2.419 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)c2cc3c(cc2Br)OCO3)C[C@H](C)O1 ZINC000621385637 652153146 /nfs/dbraw/zinc/15/31/46/652153146.db2.gz PARYJNBUJNFBEX-RYUDHWBXSA-N 1 0 399.285 2.407 20 0 GEADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(Br)c[nH]c1=O ZINC000621479050 652157025 /nfs/dbraw/zinc/15/70/25/652157025.db2.gz OPENNZUXGLBAJL-UHFFFAOYSA-N 1 0 376.254 2.338 20 0 GEADRO CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000747382899 652161065 /nfs/dbraw/zinc/16/10/65/652161065.db2.gz BYURXSWZTPPMEZ-QGZVFWFLSA-N 1 0 379.551 2.138 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000657328483 652161161 /nfs/dbraw/zinc/16/11/61/652161161.db2.gz XDUKISNRBWRVSC-JTQLQIEISA-N 1 0 376.404 2.198 20 0 GEADRO COC(=O)c1nsc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000576993963 652161404 /nfs/dbraw/zinc/16/14/04/652161404.db2.gz HVYVQJKLURGHQZ-HTQZYQBOSA-N 1 0 380.392 2.172 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1cc2c(cc1Br)OCO2 ZINC000621596553 652161905 /nfs/dbraw/zinc/16/19/05/652161905.db2.gz VRMFNQYNGLDVLX-UHFFFAOYSA-N 1 0 385.258 2.020 20 0 GEADRO Cc1c(Br)cncc1C[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000657376941 652163101 /nfs/dbraw/zinc/16/31/01/652163101.db2.gz LHLNEUCZRFHQCC-AWEZNQCLSA-N 1 0 378.274 2.171 20 0 GEADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657388713 652163244 /nfs/dbraw/zinc/16/32/44/652163244.db2.gz DAAZUNOVEPMDTO-UHFFFAOYSA-N 1 0 392.294 2.029 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000657498166 652166905 /nfs/dbraw/zinc/16/69/05/652166905.db2.gz ORRFDTKARKTABH-CYBMUJFWSA-N 1 0 397.294 2.477 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCSc3ccc(Cl)cc31)C2 ZINC000621839958 652168524 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COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622015152 652175889 /nfs/dbraw/zinc/17/58/89/652175889.db2.gz RFWWQYRUTHNYNX-AHIWAGSCSA-N 1 0 388.917 2.256 20 0 GEADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2SC)CC1 ZINC000657586665 652176840 /nfs/dbraw/zinc/17/68/40/652176840.db2.gz WZPKWSHTKAKJID-UHFFFAOYSA-N 1 0 385.917 2.227 20 0 GEADRO Cc1nn(C)c(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1Br ZINC000657595703 652177220 /nfs/dbraw/zinc/17/72/20/652177220.db2.gz JLWJXISLRSFHPO-INIZCTEOSA-N 1 0 393.329 2.347 20 0 GEADRO OCCO[C@@]1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CCOC1 ZINC000657597038 652177750 /nfs/dbraw/zinc/17/77/50/652177750.db2.gz JMKFJSPAEWAKSU-OAHLLOKOSA-N 1 0 396.228 2.308 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000577306826 652177917 /nfs/dbraw/zinc/17/79/17/652177917.db2.gz BQPGLDHEWAFWTH-QGZVFWFLSA-N 1 0 384.933 2.424 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)s1 ZINC000577327528 652179167 /nfs/dbraw/zinc/17/91/67/652179167.db2.gz VIOCAUXRWAPBFL-UHFFFAOYSA-N 1 0 385.555 2.266 20 0 GEADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc(Br)c[nH]c1=O ZINC000622134858 652184436 /nfs/dbraw/zinc/18/44/36/652184436.db2.gz PWYOISBVMBCPQY-UHFFFAOYSA-N 1 0 398.301 2.171 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000657656143 652186636 /nfs/dbraw/zinc/18/66/36/652186636.db2.gz MEAICCRYSUAIPX-UHFFFAOYSA-N 1 0 386.265 2.293 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000657656765 652186735 /nfs/dbraw/zinc/18/67/35/652186735.db2.gz QTMRXVHNMDTPJW-NSHDSACASA-N 1 0 391.269 2.004 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000577603190 652200106 /nfs/dbraw/zinc/20/01/06/652200106.db2.gz IMEJGJMOTYBNJB-UHFFFAOYSA-N 1 0 394.273 2.292 20 0 GEADRO Brc1ccn2cc(CNC3CC[NH+]([C@H]4CCOC4)CC3)nc2c1 ZINC000657753088 652200970 /nfs/dbraw/zinc/20/09/70/652200970.db2.gz TXFXFEPENXITGM-INIZCTEOSA-N 1 0 379.302 2.440 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(F)cc1Cl ZINC000577705280 652208815 /nfs/dbraw/zinc/20/88/15/652208815.db2.gz BMEYOYZASSMEBA-CYBMUJFWSA-N 1 0 376.881 2.449 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(F)cc1Cl ZINC000577705281 652208997 /nfs/dbraw/zinc/20/89/97/652208997.db2.gz BMEYOYZASSMEBA-ZDUSSCGKSA-N 1 0 376.881 2.449 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000577714219 652209609 /nfs/dbraw/zinc/20/96/09/652209609.db2.gz BHQPPCPZGXCZMQ-ZDUSSCGKSA-N 1 0 394.313 2.008 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577710318 652209910 /nfs/dbraw/zinc/20/99/10/652209910.db2.gz PBZMBTILPZMQFY-KRWDZBQOSA-N 1 0 398.276 2.437 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657854675 652211332 /nfs/dbraw/zinc/21/13/32/652211332.db2.gz DMCKOAVMCRNRJO-ZWNOBZJWSA-N 1 0 386.265 2.325 20 0 GEADRO CC(C)C[C@@H](CNC(=O)c1ccc(Br)cc1-n1cnnn1)[NH+](C)C ZINC000623018337 652215003 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[NH3+]CCCN(CC1CCCC1)C(=O)c1nc2ccc(Br)cn2n1 ZINC000623070516 652222619 /nfs/dbraw/zinc/22/26/19/652222619.db2.gz JHDDOCAUWXSBOX-UHFFFAOYSA-N 1 0 380.290 2.473 20 0 GEADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577950984 652231239 /nfs/dbraw/zinc/23/12/39/652231239.db2.gz PKDVSIGHHWJAJN-NEPJUHHUSA-N 1 0 377.897 2.352 20 0 GEADRO O[C@H](C[NH2+][C@H]1c2ccccc2C[C@H]1O)COc1ccc(Br)cc1 ZINC000578013087 652236395 /nfs/dbraw/zinc/23/63/95/652236395.db2.gz BLGZKCFOINYWCP-OLMNPRSZSA-N 1 0 378.266 2.437 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000658125387 652238087 /nfs/dbraw/zinc/23/80/87/652238087.db2.gz BUBOSMVLKVGWMI-JTQLQIEISA-N 1 0 378.420 2.175 20 0 GEADRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658169771 652241442 /nfs/dbraw/zinc/24/14/42/652241442.db2.gz KHOLRWGLPOQGQW-QPUJVOFHSA-N 1 0 399.257 2.171 20 0 GEADRO [NH3+]C1CCC(OCC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000578129516 652246146 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Fc1cc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)ccc1Br ZINC000623652502 652252110 /nfs/dbraw/zinc/25/21/10/652252110.db2.gz HWCNDTYWCQYRHQ-LBPRGKRZSA-N 1 0 391.248 2.394 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2COCCN2C)cc(Br)c1OC(F)F ZINC000623710695 652255605 /nfs/dbraw/zinc/25/56/05/652255605.db2.gz KVSCFUYPDOZUEZ-LLVKDONJSA-N 1 0 395.244 2.479 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(F)c(Br)cc1F)[C@H]1CC[N@H+](C)C1 ZINC000658361626 652256240 /nfs/dbraw/zinc/25/62/40/652256240.db2.gz MLKITGZBPDDEIA-VIFPVBQESA-N 1 0 390.228 2.218 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000623717284 652256451 /nfs/dbraw/zinc/25/64/51/652256451.db2.gz SOWUQMKBOSIFIO-GFCCVEGCSA-N 1 0 385.306 2.382 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(C)c(Br)cc1F)[C@H]1CC[N@H+](C)C1 ZINC000658362634 652256615 /nfs/dbraw/zinc/25/66/15/652256615.db2.gz VWCGZGYKACPAOM-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO C[C@H](NS(=O)(=O)Cc1cc(F)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000658364560 652257029 /nfs/dbraw/zinc/25/70/29/652257029.db2.gz BDSMXFAJVVBIHX-QWRGUYRKSA-N 1 0 379.295 2.396 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000658370959 652258820 /nfs/dbraw/zinc/25/88/20/652258820.db2.gz IPNDIWVOYJSVFP-DTWKUNHWSA-N 1 0 381.267 2.145 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)CC[C@H]1[NH3+] ZINC000658375385 652259402 /nfs/dbraw/zinc/25/94/02/652259402.db2.gz HCJPQJRFTCNGTC-QMTHXVAHSA-N 1 0 379.295 2.477 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000658377595 652260070 /nfs/dbraw/zinc/26/00/70/652260070.db2.gz BOYROKSKPBBZHW-SECBINFHSA-N 1 0 381.267 2.017 20 0 GEADRO COC[C@]1(CNS(=O)(=O)c2cc(Cl)cc(Br)c2)CCC[NH2+]1 ZINC000658378885 652260651 /nfs/dbraw/zinc/26/06/51/652260651.db2.gz BUMLKCKHFKBJHW-CYBMUJFWSA-N 1 0 397.722 2.149 20 0 GEADRO [NH3+]CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(F)F ZINC000658381223 652261356 /nfs/dbraw/zinc/26/13/56/652261356.db2.gz BXGGVVJMZQOVBP-ZETCQYMHSA-N 1 0 382.738 2.499 20 0 GEADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000578315987 652261543 /nfs/dbraw/zinc/26/15/43/652261543.db2.gz ITQIHPAYVSLQQA-UONOGXRCSA-N 1 0 385.302 2.322 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)CCc2ccccc2)c(C)s1 ZINC000578315935 652261555 /nfs/dbraw/zinc/26/15/55/652261555.db2.gz GOFNKSLOBBKKCB-QGZVFWFLSA-N 1 0 382.551 2.227 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000658384352 652262637 /nfs/dbraw/zinc/26/26/37/652262637.db2.gz WCMDQJDQBBFSQX-UHFFFAOYSA-N 1 0 381.267 2.004 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)NCCC1CC[NH2+]CC1 ZINC000658384455 652262962 /nfs/dbraw/zinc/26/29/62/652262962.db2.gz ZRPHEFFRZBOFEW-UHFFFAOYSA-N 1 0 379.295 2.397 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658390782 652264478 /nfs/dbraw/zinc/26/44/78/652264478.db2.gz VFTONLPUWKFFRR-GFCCVEGCSA-N 1 0 376.906 2.304 20 0 GEADRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cnc(C)s2)cc1 ZINC000658391851 652264501 /nfs/dbraw/zinc/26/45/01/652264501.db2.gz IBCDEYCKXYSDPD-HOTGVXAUSA-N 1 0 381.523 2.274 20 0 GEADRO C[C@@H](C[NH2+]C[C@@H](O)COC1CCOCC1)Oc1ccccc1Br ZINC000578350194 652264700 /nfs/dbraw/zinc/26/47/00/652264700.db2.gz HRGDOWSFOXHZAF-UONOGXRCSA-N 1 0 388.302 2.363 20 0 GEADRO C[C@H](C[NH2+]C[C@H](O)COC1CCOCC1)Oc1ccccc1Br ZINC000578350193 652264789 /nfs/dbraw/zinc/26/47/89/652264789.db2.gz HRGDOWSFOXHZAF-KGLIPLIRSA-N 1 0 388.302 2.363 20 0 GEADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000658394726 652265185 /nfs/dbraw/zinc/26/51/85/652265185.db2.gz NHGDEWUQVFFZGO-UHFFFAOYSA-N 1 0 379.707 2.355 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@H]3CC[NH2+]C4(CCC4)C3)cc2N1 ZINC000658400823 652265707 /nfs/dbraw/zinc/26/57/07/652265707.db2.gz FYYKSDMCZPHJRH-LBPRGKRZSA-N 1 0 383.901 2.178 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000658407972 652267316 /nfs/dbraw/zinc/26/73/16/652267316.db2.gz UDQJXPASXWCUNT-GFCCVEGCSA-N 1 0 379.320 2.500 20 0 GEADRO CC(C)(O)C[NH+]1CCN(c2ncc(Br)c(OC(C)(C)C)n2)CC1 ZINC000578389024 652268516 /nfs/dbraw/zinc/26/85/16/652268516.db2.gz ZXVRVZRYEIKWFV-UHFFFAOYSA-N 1 0 387.322 2.309 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658426020 652269721 /nfs/dbraw/zinc/26/97/21/652269721.db2.gz FNXBVMJXIFMJCU-AWEZNQCLSA-N 1 0 396.329 2.397 20 0 GEADRO CSc1ccc(Cl)c(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000658427890 652270152 /nfs/dbraw/zinc/27/01/52/652270152.db2.gz MIPDPXLUFBUSOP-UHFFFAOYSA-N 1 0 386.949 2.000 20 0 GEADRO Brc1ccc(-c2ccnc(N3CCN4CCOC[C@H]4C3)n2)cc1 ZINC000624100656 652270878 /nfs/dbraw/zinc/27/08/78/652270878.db2.gz ZMKRNVYXQOTVHQ-OAHLLOKOSA-N 1 0 375.270 2.427 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cncc(Br)c1 ZINC000624116947 652271355 /nfs/dbraw/zinc/27/13/55/652271355.db2.gz CCMJVJYTIVHZIX-FZMZJTMJSA-N 1 0 388.273 2.211 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000749900987 652271759 /nfs/dbraw/zinc/27/17/59/652271759.db2.gz YXRSCEQYGUNLRM-HNNXBMFYSA-N 1 0 382.961 2.497 20 0 GEADRO COc1ncc(Br)cc1C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000624134569 652272106 /nfs/dbraw/zinc/27/21/06/652272106.db2.gz ZYNVUSGSMJNUBG-JTQLQIEISA-N 1 0 377.304 2.156 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000578448136 652273906 /nfs/dbraw/zinc/27/39/06/652273906.db2.gz JIJZWUOCXNYOQA-UHFFFAOYSA-N 1 0 398.301 2.292 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)Cc2csc3ccc(Br)cc23)C[C@@H]1O ZINC000578452065 652274367 /nfs/dbraw/zinc/27/43/67/652274367.db2.gz YNDRIGCHRNCEHE-KBPBESRZSA-N 1 0 383.311 2.340 20 0 GEADRO C[NH+](C)[C@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@@H]1O ZINC000578450642 652274483 /nfs/dbraw/zinc/27/44/83/652274483.db2.gz HNLVPSMROSMUPC-STQMWFEESA-N 1 0 380.657 2.051 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000624194194 652275475 /nfs/dbraw/zinc/27/54/75/652275475.db2.gz BFPDSKZWXJEPIW-GFCCVEGCSA-N 1 0 385.306 2.384 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(F)c(Br)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658469157 652277507 /nfs/dbraw/zinc/27/75/07/652277507.db2.gz WEHAWJLDBIZCQO-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658476428 652278657 /nfs/dbraw/zinc/27/86/57/652278657.db2.gz YAAMIUABQGBDJP-UHFFFAOYSA-N 1 0 396.329 2.206 20 0 GEADRO OCCCC[NH+]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000750052053 652279794 /nfs/dbraw/zinc/27/97/94/652279794.db2.gz DGTIRLFSMAZYQI-AWEZNQCLSA-N 1 0 377.312 2.123 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000578619627 652283030 /nfs/dbraw/zinc/28/30/30/652283030.db2.gz YYFIZTNVIFYPLR-ZDUSSCGKSA-N 1 0 393.336 2.101 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000624370371 652284080 /nfs/dbraw/zinc/28/40/80/652284080.db2.gz HZWIHXSPNLBFDX-LBPRGKRZSA-N 1 0 376.404 2.197 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000658539900 652285884 /nfs/dbraw/zinc/28/58/84/652285884.db2.gz JOENWFKYKJKJDK-UHFFFAOYSA-N 1 0 378.885 2.422 20 0 GEADRO CCN(CC[NH3+])S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000624382032 652285803 /nfs/dbraw/zinc/28/58/03/652285803.db2.gz KHNBVSGZVTYPDW-UHFFFAOYSA-N 1 0 375.210 2.437 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624390418 652286693 /nfs/dbraw/zinc/28/66/93/652286693.db2.gz BPNBQXXWDBSBRH-KOLCDFICSA-N 1 0 386.823 2.496 20 0 GEADRO CCN(Cc1ccccc1)S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624390893 652287246 /nfs/dbraw/zinc/28/72/46/652287246.db2.gz KYODVRVHWYGRQK-HUUCEWRRSA-N 1 0 379.448 2.212 20 0 GEADRO CCC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000624390771 652287300 /nfs/dbraw/zinc/28/73/00/652287300.db2.gz IEWZOKUBWRDGGK-GXTWGEPZSA-N 1 0 378.416 2.427 20 0 GEADRO COc1cc(F)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(F)c1 ZINC000624391385 652287715 /nfs/dbraw/zinc/28/77/15/652287715.db2.gz WQIBJPQMMQFAJO-WCBMZHEXSA-N 1 0 388.358 2.121 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000624391006 652287733 /nfs/dbraw/zinc/28/77/33/652287733.db2.gz 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C[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccc(Br)s1 ZINC000579702420 652350932 /nfs/dbraw/zinc/35/09/32/652350932.db2.gz CGQDJWFOPBJTLT-ZMLRMANQSA-N 1 0 383.315 2.301 20 0 GEADRO O=C(C(=O)N1CCc2c1cccc2Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000579698297 652351023 /nfs/dbraw/zinc/35/10/23/652351023.db2.gz QEFMJXQGUHFONQ-ZDUSSCGKSA-N 1 0 392.297 2.035 20 0 GEADRO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000659259516 652351128 /nfs/dbraw/zinc/35/11/28/652351128.db2.gz QLOWAICMLYGYHG-QGZVFWFLSA-N 1 0 378.881 2.465 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)C[C@@H]21 ZINC000659304542 652353649 /nfs/dbraw/zinc/35/36/49/652353649.db2.gz UTKNWNWBAAYSJR-DDTOSNHZSA-N 1 0 381.270 2.420 20 0 GEADRO COCC[C@]1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000579794031 652354660 /nfs/dbraw/zinc/35/46/60/652354660.db2.gz WLWKJEIIVFUYBW-HOCLYGCPSA-N 1 0 392.265 2.113 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659358277 652354932 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O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000659453760 652358238 /nfs/dbraw/zinc/35/82/38/652358238.db2.gz PYSWGUSNPYMQEZ-UIORMTCPSA-N 1 0 379.302 2.079 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000659449452 652358337 /nfs/dbraw/zinc/35/83/37/652358337.db2.gz FISGLMSVVQFOQL-TVIZTDCDSA-N 1 0 379.302 2.161 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000579863253 652358443 /nfs/dbraw/zinc/35/84/43/652358443.db2.gz ICXORNMCMHQRNL-IAGOWNOFSA-N 1 0 375.485 2.018 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000659469161 652358876 /nfs/dbraw/zinc/35/88/76/652358876.db2.gz HOLYTHISJHFSNB-VHSXEESVSA-N 1 0 382.262 2.467 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)nc12 ZINC000659483376 652359199 /nfs/dbraw/zinc/35/91/99/652359199.db2.gz ZRNBDQPVZYXGEM-ZIAGYGMSSA-N 1 0 398.280 2.028 20 0 GEADRO C[NH2+]CCNC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659513245 652359953 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GEADRO CC[C@@H](NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)c1nc(C(F)(F)F)cs1 ZINC000659682088 652362991 /nfs/dbraw/zinc/36/29/91/652362991.db2.gz GZFNRBLYZJZBKO-NXEZZACHSA-N 1 0 380.436 2.219 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000659690605 652363335 /nfs/dbraw/zinc/36/33/35/652363335.db2.gz OYJIXDRMIZBHNX-UHFFFAOYSA-N 1 0 384.318 2.039 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000659689782 652363503 /nfs/dbraw/zinc/36/35/03/652363503.db2.gz ILNPVUMQCQMYEG-CYBMUJFWSA-N 1 0 396.329 2.101 20 0 GEADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000659716013 652364168 /nfs/dbraw/zinc/36/41/68/652364168.db2.gz SPRSOBCFVSOOFO-MEDUHNTESA-N 1 0 377.897 2.339 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000659719129 652364218 /nfs/dbraw/zinc/36/42/18/652364218.db2.gz VHRZHVCNUDHEHH-BZNIZROVSA-N 1 0 377.897 2.339 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NCCC1=CC[NH2+]CC1)C2 ZINC000659723832 652364349 /nfs/dbraw/zinc/36/43/49/652364349.db2.gz LLIWZJMROZPDAT-UHFFFAOYSA-N 1 0 392.297 2.026 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000659740900 652364447 /nfs/dbraw/zinc/36/44/47/652364447.db2.gz FOVFXQCKHICSRV-UHFFFAOYSA-N 1 0 382.291 2.353 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N[C@@H](C)C[NH2+]C)Oc1ccc(Cl)c(Cl)c1 ZINC000659757354 652364779 /nfs/dbraw/zinc/36/47/79/652364779.db2.gz UTJJKMSLUXIGFL-RYUDHWBXSA-N 1 0 390.311 2.333 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000659749909 652364815 /nfs/dbraw/zinc/36/48/15/652364815.db2.gz COTSPZQUDHBWIE-SWLSCSKDSA-N 1 0 382.302 2.145 20 0 GEADRO Cc1c(C(=O)NCc2ccsc2Br)nnn1C1CC[NH2+]CC1 ZINC000580072111 652366043 /nfs/dbraw/zinc/36/60/43/652366043.db2.gz NEFSSRDHVYXPSS-UHFFFAOYSA-N 1 0 384.303 2.265 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000580172037 652368598 /nfs/dbraw/zinc/36/85/98/652368598.db2.gz OSWOPMUMFAEXNE-LBPRGKRZSA-N 1 0 383.290 2.158 20 0 GEADRO C[C@@H]([NH2+]CCN1C(=O)CN(C)C1=O)c1cc(F)c(Br)cc1F ZINC000625751429 652369287 /nfs/dbraw/zinc/36/92/87/652369287.db2.gz UOTYYYLQJXLNHW-MRVPVSSYSA-N 1 0 376.201 2.272 20 0 GEADRO COCCOCC[N@H+](CCO)Cc1ccc(Br)c2cccnc12 ZINC000625755379 652369359 /nfs/dbraw/zinc/36/93/59/652369359.db2.gz WGPCRNMHHOBBJF-UHFFFAOYSA-N 1 0 383.286 2.455 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000580190111 652369729 /nfs/dbraw/zinc/36/97/29/652369729.db2.gz SVYCZHSEFUCOKY-IEBWSBKVSA-N 1 0 392.341 2.065 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000580194576 652370043 /nfs/dbraw/zinc/37/00/43/652370043.db2.gz UKNJVYUDIBOJTH-STQMWFEESA-N 1 0 386.901 2.137 20 0 GEADRO C[C@@H]1CN(CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)C[C@@H](C)O1 ZINC000625796112 652371647 /nfs/dbraw/zinc/37/16/47/652371647.db2.gz FPSQTIYDYFWFCR-CLCXKQKWSA-N 1 0 397.357 2.368 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000580281600 652373599 /nfs/dbraw/zinc/37/35/99/652373599.db2.gz AJFUTTWTAFXGHM-OAHLLOKOSA-N 1 0 378.270 2.409 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580298929 652374853 /nfs/dbraw/zinc/37/48/53/652374853.db2.gz MFXRXTHSVGMTNJ-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCc1cc(F)c(Br)cc1F)C(F)(F)F ZINC000625899256 652375577 /nfs/dbraw/zinc/37/55/77/652375577.db2.gz NWYKRMYYEUJEJF-VIFPVBQESA-N 1 0 376.123 2.416 20 0 GEADRO CNC(=O)CCOC1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000751998445 652375823 /nfs/dbraw/zinc/37/58/23/652375823.db2.gz AFRUFEHYQHLFNF-INIZCTEOSA-N 1 0 385.302 2.100 20 0 GEADRO CCCCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000580342782 652376852 /nfs/dbraw/zinc/37/68/52/652376852.db2.gz AMVCEMMEVJEVFF-DLBZAZTESA-N 1 0 388.599 2.020 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)ccc1Br ZINC000580347787 652376946 /nfs/dbraw/zinc/37/69/46/652376946.db2.gz KXRREVWKRNWILJ-GFCCVEGCSA-N 1 0 397.317 2.328 20 0 GEADRO CN(C)C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000625983382 652378015 /nfs/dbraw/zinc/37/80/15/652378015.db2.gz NLSLKSRBJFMHCF-OAHLLOKOSA-N 1 0 395.352 2.125 20 0 GEADRO OC[C@]12CCC[C@H]1C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000626015453 652379626 /nfs/dbraw/zinc/37/96/26/652379626.db2.gz WEIMUABXLWGROC-YLQAJVPDSA-N 1 0 388.277 2.422 20 0 GEADRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000626039810 652380335 /nfs/dbraw/zinc/38/03/35/652380335.db2.gz PBMQYCKUTAQXPE-JSGCOSHPSA-N 1 0 392.297 2.225 20 0 GEADRO NS(=O)(=O)NC1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000626035666 652380604 /nfs/dbraw/zinc/38/06/04/652380604.db2.gz XECQRIYBGDEVFH-HNNXBMFYSA-N 1 0 388.331 2.084 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000580432402 652380713 /nfs/dbraw/zinc/38/07/13/652380713.db2.gz FQQZWMQGSDIGDA-LLVKDONJSA-N 1 0 378.270 2.492 20 0 GEADRO C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ncc(Br)cc1F ZINC000580542785 652382498 /nfs/dbraw/zinc/38/24/98/652382498.db2.gz ZVPFNNMCOBDJSF-VIFPVBQESA-N 1 0 383.269 2.419 20 0 GEADRO COCC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1CCCSC1 ZINC000580572616 652384421 /nfs/dbraw/zinc/38/44/21/652384421.db2.gz XKTBCXWKWKJVBH-AWEZNQCLSA-N 1 0 378.947 2.331 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000626200742 652385093 /nfs/dbraw/zinc/38/50/93/652385093.db2.gz WLFVFCJGQAHGBH-LGRHPFTQSA-N 1 0 393.325 2.298 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCC1=CC[NH2+]CC1 ZINC000580647846 652386895 /nfs/dbraw/zinc/38/68/95/652386895.db2.gz YJVZACRREOVQMS-UHFFFAOYSA-N 1 0 379.707 2.442 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000626250587 652387342 /nfs/dbraw/zinc/38/73/42/652387342.db2.gz VAMNYHWJGVEXNJ-NSHDSACASA-N 1 0 381.782 2.469 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000660134949 652389880 /nfs/dbraw/zinc/38/98/80/652389880.db2.gz LCUSAKIGMPTGJE-TZMCWYRMSA-N 1 0 380.432 2.479 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CCO1 ZINC000660156658 652391267 /nfs/dbraw/zinc/39/12/67/652391267.db2.gz MMVWTJASPUZGQG-MRXNPFEDSA-N 1 0 376.469 2.497 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000660159891 652391540 /nfs/dbraw/zinc/39/15/40/652391540.db2.gz YQMMFHUYEAQGCC-CQSZACIVSA-N 1 0 376.906 2.080 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(F)ccc1Br ZINC000626434477 652392284 /nfs/dbraw/zinc/39/22/84/652392284.db2.gz CUUZZUQZRBQSQP-ZDUSSCGKSA-N 1 0 387.253 2.050 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1CCc2cc(Br)ccc21 ZINC000580835252 652394202 /nfs/dbraw/zinc/39/42/02/652394202.db2.gz DECCCDWKXCFNDB-NVXWUHKLSA-N 1 0 381.314 2.442 20 0 GEADRO CSCC[C@H]([NH2+]Cc1cnc2ccc(Br)cn12)C(=O)N(C)C ZINC000581035274 652399004 /nfs/dbraw/zinc/39/90/04/652399004.db2.gz YLEZMJKXARLHNJ-ZDUSSCGKSA-N 1 0 385.331 2.396 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cc(Cl)c(Br)cc1F ZINC000626664406 652400053 /nfs/dbraw/zinc/40/00/53/652400053.db2.gz SZCSDYPWKPJSFC-MRVPVSSYSA-N 1 0 380.645 2.430 20 0 GEADRO C[N@@H+](Cc1cccc(Br)c1OCC(C)(C)O)C[C@@H]1CNC(=O)C1 ZINC000660398012 652400533 /nfs/dbraw/zinc/40/05/33/652400533.db2.gz CDWKOXPLQLZZRO-LBPRGKRZSA-N 1 0 385.302 2.167 20 0 GEADRO CCS(=O)(=O)NCCC[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000753160102 652401046 /nfs/dbraw/zinc/40/10/46/652401046.db2.gz BBRXHBYVMQRDFA-UHFFFAOYSA-N 1 0 377.551 2.084 20 0 GEADRO C[C@@H]1CN(CC[N@H+](CCO)Cc2ccc(Br)s2)C[C@@H](C)O1 ZINC000660402332 652401196 /nfs/dbraw/zinc/40/11/96/652401196.db2.gz FVRUZFYAIRXINB-CHWSQXEVSA-N 1 0 377.348 2.414 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)COc2cccc(I)c2)C1 ZINC000581129980 652403259 /nfs/dbraw/zinc/40/32/59/652403259.db2.gz FCONFQYOTBCRDO-RYUDHWBXSA-N 1 0 388.249 2.256 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000626832133 652404890 /nfs/dbraw/zinc/40/48/90/652404890.db2.gz RFONDOVWIKXGRR-HQJQHLMTSA-N 1 0 392.656 2.376 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000626832206 652404944 /nfs/dbraw/zinc/40/49/44/652404944.db2.gz JGJNEOQWQXDPBJ-PWSUYJOCSA-N 1 0 398.326 2.462 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000581179132 652405172 /nfs/dbraw/zinc/40/51/72/652405172.db2.gz KTZZTIGIQIEOOU-UHFFFAOYSA-N 1 0 382.180 2.214 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626833677 652405108 /nfs/dbraw/zinc/40/51/08/652405108.db2.gz SYXHHPDPJXWMLL-CYBMUJFWSA-N 1 0 394.313 2.461 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626850238 652405557 /nfs/dbraw/zinc/40/55/57/652405557.db2.gz CCSGQWSCQPPQKE-LBPRGKRZSA-N 1 0 386.677 2.442 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000581192824 652405944 /nfs/dbraw/zinc/40/59/44/652405944.db2.gz HPZLUWVBVJJQCX-CYBMUJFWSA-N 1 0 382.302 2.217 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000626858834 652406416 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C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661609255 652435205 /nfs/dbraw/zinc/43/52/05/652435205.db2.gz OSQPPAUUEDHMJG-TYNCELHUSA-N 1 0 380.286 2.377 20 0 GEADRO C[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661643129 652436043 /nfs/dbraw/zinc/43/60/43/652436043.db2.gz MXODFMDHVZSPFB-BXUZGUMPSA-N 1 0 381.325 2.240 20 0 GEADRO O=C(CCC1CC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000582123085 652436279 /nfs/dbraw/zinc/43/62/79/652436279.db2.gz HRZVATGGZGRBFP-KRWDZBQOSA-N 1 0 394.313 2.228 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)C[C@H]21 ZINC000627651629 652437237 /nfs/dbraw/zinc/43/72/37/652437237.db2.gz XEXJRYLJKLLWAO-VIKVFOODSA-N 1 0 393.260 2.406 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@H]21 ZINC000627651849 652437312 /nfs/dbraw/zinc/43/73/12/652437312.db2.gz GKWMRJBLJHEAKZ-ATCWAGBWSA-N 1 0 376.254 2.335 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000582231024 652441319 /nfs/dbraw/zinc/44/13/19/652441319.db2.gz BWHZBNJORARRPP-UYHMYPTGSA-N 1 0 382.302 2.386 20 0 GEADRO O=S1(=O)CCc2cc(C[NH2+]C[C@@H](O)COc3ccccc3Cl)ccc21 ZINC000582236120 652441573 /nfs/dbraw/zinc/44/15/73/652441573.db2.gz AMIDBJQIYQYBIT-OAHLLOKOSA-N 1 0 381.881 2.199 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000627908066 652442019 /nfs/dbraw/zinc/44/20/19/652442019.db2.gz NWUYMIJBLOKCPS-AWEZNQCLSA-N 1 0 395.301 2.224 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000582301630 652444471 /nfs/dbraw/zinc/44/44/71/652444471.db2.gz NQRKSZURQHPRPJ-WBVHZDCISA-N 1 0 379.302 2.425 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)C1 ZINC000662051775 652446279 /nfs/dbraw/zinc/44/62/79/652446279.db2.gz NPVYBFVJPMARIF-RISCZKNCSA-N 1 0 381.325 2.288 20 0 GEADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000582364755 652447577 /nfs/dbraw/zinc/44/75/77/652447577.db2.gz SNGVHHQGRRLLAM-UHFFFAOYSA-N 1 0 382.404 2.111 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000582409795 652448980 /nfs/dbraw/zinc/44/89/80/652448980.db2.gz TZHZEXNIZLKFAI-BETUJISGSA-N 1 0 396.285 2.256 20 0 GEADRO COc1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1OC ZINC000662160090 652449442 /nfs/dbraw/zinc/44/94/42/652449442.db2.gz MIJJWQVCSBPRHJ-HNNXBMFYSA-N 1 0 399.329 2.497 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+](CCC2CC2)CC2CC2)c1 ZINC000662179390 652450608 /nfs/dbraw/zinc/45/06/08/652450608.db2.gz NVDRJXMVUTVMGV-UHFFFAOYSA-N 1 0 385.917 2.438 20 0 GEADRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(=O)[nH]n1 ZINC000582502790 652453139 /nfs/dbraw/zinc/45/31/39/652453139.db2.gz ZJEPBOATVDBSGQ-LLVKDONJSA-N 1 0 379.258 2.415 20 0 GEADRO CNS(=O)(=O)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000662272148 652454680 /nfs/dbraw/zinc/45/46/80/652454680.db2.gz LBCCNDWNJKHWLT-GOSISDBHSA-N 1 0 379.913 2.395 20 0 GEADRO OCC1(NCc2ccnc(-c3ccc(Br)cc3)n2)CC[NH2+]CC1 ZINC000662285055 652455265 /nfs/dbraw/zinc/45/52/65/652455265.db2.gz VJQWCCQQGUPSOX-UHFFFAOYSA-N 1 0 377.286 2.110 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000582594263 652456298 /nfs/dbraw/zinc/45/62/98/652456298.db2.gz GBTIVERLWDECIF-ZFWWWQNUSA-N 1 0 392.297 2.087 20 0 GEADRO Cc1cc(CNCC(=O)NCC[NH+]2CCCCCC2)ncc1Br ZINC000628293746 652457354 /nfs/dbraw/zinc/45/73/54/652457354.db2.gz RBEXBKXYUPYKJD-UHFFFAOYSA-N 1 0 383.334 2.234 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000582655504 652457795 /nfs/dbraw/zinc/45/77/95/652457795.db2.gz RIFRMDCXCXDWLX-HNNXBMFYSA-N 1 0 382.302 2.158 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000582655505 652457894 /nfs/dbraw/zinc/45/78/94/652457894.db2.gz RIFRMDCXCXDWLX-OAHLLOKOSA-N 1 0 382.302 2.158 20 0 GEADRO CCc1nc(CN2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)cs1 ZINC000662407452 652459420 /nfs/dbraw/zinc/45/94/20/652459420.db2.gz BXJVLQDSIQALRZ-UHFFFAOYSA-N 1 0 376.551 2.371 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000582715826 652460239 /nfs/dbraw/zinc/46/02/39/652460239.db2.gz LFZBZPITQFQGRL-PHIMTYICSA-N 1 0 378.274 2.361 20 0 GEADRO CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000662439896 652460859 /nfs/dbraw/zinc/46/08/59/652460859.db2.gz RRGHOVJGPLJHPV-LBPRGKRZSA-N 1 0 385.306 2.252 20 0 GEADRO [NH3+]CCC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000582733003 652460923 /nfs/dbraw/zinc/46/09/23/652460923.db2.gz PEPRVJWGOOJSCX-UHFFFAOYSA-N 1 0 378.270 2.492 20 0 GEADRO COc1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1Br ZINC000662437789 652461024 /nfs/dbraw/zinc/46/10/24/652461024.db2.gz UUCBLIIRYFKNEQ-LLVKDONJSA-N 1 0 379.258 2.188 20 0 GEADRO O=C(N[C@H]1CCc2c1cccc2Br)c1cnnn1C1CC[NH2+]CC1 ZINC000662441841 652461263 /nfs/dbraw/zinc/46/12/63/652461263.db2.gz NUFKATKFCOLCGS-HNNXBMFYSA-N 1 0 390.285 2.382 20 0 GEADRO N[C@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1Br ZINC000662446987 652461341 /nfs/dbraw/zinc/46/13/41/652461341.db2.gz LNXJTTMJOOSSGY-INIZCTEOSA-N 1 0 396.329 2.210 20 0 GEADRO O=C(NCc1ccc(Br)cc1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662462890 652462563 /nfs/dbraw/zinc/46/25/63/652462563.db2.gz PNFJJMYROLEHAW-AWEZNQCLSA-N 1 0 378.274 2.285 20 0 GEADRO N[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000662467190 652462910 /nfs/dbraw/zinc/46/29/10/652462910.db2.gz QYCHTLQKKARMHO-GUYCJALGSA-N 1 0 396.329 2.066 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](N)c2ccccc2Br)C1 ZINC000662487035 652463761 /nfs/dbraw/zinc/46/37/61/652463761.db2.gz PEESCRYSWJFNSE-PBHICJAKSA-N 1 0 398.345 2.408 20 0 GEADRO C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)Oc1ccccc1Br ZINC000662490531 652464069 /nfs/dbraw/zinc/46/40/69/652464069.db2.gz QJSJJFBMMQYJQO-NEPJUHHUSA-N 1 0 393.285 2.446 20 0 GEADRO C[NH+](C)CCCOC1CCN(C(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662490868 652464078 /nfs/dbraw/zinc/46/40/78/652464078.db2.gz LWICBLUFQZSKMG-KRWDZBQOSA-N 1 0 398.345 2.408 20 0 GEADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662516678 652465717 /nfs/dbraw/zinc/46/57/17/652465717.db2.gz JXDQPQPRPPRQBN-HNNXBMFYSA-N 1 0 396.329 2.113 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2=O)ccc1Br ZINC000662537818 652466434 /nfs/dbraw/zinc/46/64/34/652466434.db2.gz PXRWGHSHHVVZRD-SNPRPXQTSA-N 1 0 380.286 2.106 20 0 GEADRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000662544916 652467359 /nfs/dbraw/zinc/46/73/59/652467359.db2.gz HQDDOPALRBFVLO-OAHLLOKOSA-N 1 0 394.313 2.122 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662543895 652467378 /nfs/dbraw/zinc/46/73/78/652467378.db2.gz MVGJKJUKJDFARZ-ZDUSSCGKSA-N 1 0 381.192 2.486 20 0 GEADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000662556153 652468041 /nfs/dbraw/zinc/46/80/41/652468041.db2.gz MMIOLTAKSWGIQG-CMPLNLGQSA-N 1 0 379.201 2.031 20 0 GEADRO CC(C)([NH3+])c1cc(C(=O)N2CCC(n3cc(Br)cn3)CC2)on1 ZINC000662593544 652469265 /nfs/dbraw/zinc/46/92/65/652469265.db2.gz JAWVHGHFNURSCJ-UHFFFAOYSA-N 1 0 382.262 2.305 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662586425 652469297 /nfs/dbraw/zinc/46/92/97/652469297.db2.gz JIXWTJATWLLIIC-IAQYHMDHSA-N 1 0 375.778 2.104 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662593850 652469314 /nfs/dbraw/zinc/46/93/14/652469314.db2.gz NRSSEWRXFRPMTG-ZDUSSCGKSA-N 1 0 392.301 2.344 20 0 GEADRO [NH3+]C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CCCC1 ZINC000662652604 652469946 /nfs/dbraw/zinc/46/99/46/652469946.db2.gz MUIBSCPESPDGGB-HNNXBMFYSA-N 1 0 394.313 2.441 20 0 GEADRO Cc1c(C(=O)NCC2([NH3+])CCCC2)nnn1-c1cccc(Br)c1 ZINC000662652630 652470014 /nfs/dbraw/zinc/47/00/14/652470014.db2.gz NFEPUWHJJJTFHE-UHFFFAOYSA-N 1 0 378.274 2.340 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000628750730 652470005 /nfs/dbraw/zinc/47/00/05/652470005.db2.gz NPNFPUFSDPAPBU-CYBMUJFWSA-N 1 0 392.301 2.492 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H](N)c2ccccc2Br)C[C@H](C)O1 ZINC000662688572 652470670 /nfs/dbraw/zinc/47/06/70/652470670.db2.gz QIDOVXDHWBLMPQ-VBQJREDUSA-N 1 0 398.345 2.455 20 0 GEADRO O=C(CCOC1C[NH2+]C1)NCc1cc(Br)ccc1OC(F)F ZINC000583019248 652471184 /nfs/dbraw/zinc/47/11/84/652471184.db2.gz BYOZPORSFGUGAR-UHFFFAOYSA-N 1 0 379.201 2.045 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719991 652471727 /nfs/dbraw/zinc/47/17/27/652471727.db2.gz NQNJQAJJYUOZPP-VNSJNIRKSA-N 1 0 382.551 2.219 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000662727583 652471869 /nfs/dbraw/zinc/47/18/69/652471869.db2.gz SGBMMXXTXILLEV-GXTWGEPZSA-N 1 0 382.302 2.292 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CCC[N@@H+](C)CC1 ZINC000583089197 652472262 /nfs/dbraw/zinc/47/22/62/652472262.db2.gz MSTDQNVZVLHSMF-UHFFFAOYSA-N 1 0 387.265 2.176 20 0 GEADRO COc1cc(C[N@@H+]2CC[C@H](NC(=S)NCC(F)(F)F)C2)cc(OC)c1 ZINC000755712326 652473082 /nfs/dbraw/zinc/47/30/82/652473082.db2.gz KDCBLTFGMDHJIW-LBPRGKRZSA-N 1 0 377.432 2.305 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](NC)c2cccc(Cl)c2Cl)CC1 ZINC000662756058 652473526 /nfs/dbraw/zinc/47/35/26/652473526.db2.gz HGRWMPFSBHSOBB-DYVFJYSZSA-N 1 0 387.355 2.396 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662779518 652474236 /nfs/dbraw/zinc/47/42/36/652474236.db2.gz NUNXHPBLJSFGQM-SRMUXQRQSA-N 1 0 380.286 2.132 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@H]3[NH2+]CCC3(C)C)C2=O)ccc1Br ZINC000662800810 652475006 /nfs/dbraw/zinc/47/50/06/652475006.db2.gz PRVRBFRWBNBQKS-HUUCEWRRSA-N 1 0 394.313 2.367 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000583174855 652475124 /nfs/dbraw/zinc/47/51/24/652475124.db2.gz LEIOSYOBFCOBCX-JTQLQIEISA-N 1 0 376.320 2.085 20 0 GEADRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000662826047 652475833 /nfs/dbraw/zinc/47/58/33/652475833.db2.gz RCHNPVVEMNTQDC-INIZCTEOSA-N 1 0 396.329 2.290 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC[C@H]1F ZINC000662923467 652478562 /nfs/dbraw/zinc/47/85/62/652478562.db2.gz WEGVKOKFXZXCNT-HUUCEWRRSA-N 1 0 381.498 2.236 20 0 GEADRO CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000583258465 652478892 /nfs/dbraw/zinc/47/88/92/652478892.db2.gz VMWGHIRXKRKXFW-DZGCQCFKSA-N 1 0 383.286 2.500 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCCc1cnc(SC2CCCC2)nc1 ZINC000583251268 652478932 /nfs/dbraw/zinc/47/89/32/652478932.db2.gz LJBSAZZKBRNPSQ-UHFFFAOYSA-N 1 0 386.587 2.315 20 0 GEADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662926654 652479029 /nfs/dbraw/zinc/47/90/29/652479029.db2.gz RNMJGZUSWQHKDG-CUOATXAZSA-N 1 0 376.259 2.411 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000662960960 652479730 /nfs/dbraw/zinc/47/97/30/652479730.db2.gz CKICDAXGCYEOJN-SNVBAGLBSA-N 1 0 378.274 2.245 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C1 ZINC000662969594 652479946 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GEADRO COC[C@]1(CNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCC[NH2+]1 ZINC000583321955 652481489 /nfs/dbraw/zinc/48/14/89/652481489.db2.gz MUSYBJNRPLGJSS-CYBMUJFWSA-N 1 0 386.823 2.406 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000583396335 652483100 /nfs/dbraw/zinc/48/31/00/652483100.db2.gz OEXZGVMHWACQLQ-WWGRRREGSA-N 1 0 396.329 2.095 20 0 GEADRO CC(C)C(=O)N1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000583432668 652484846 /nfs/dbraw/zinc/48/48/46/652484846.db2.gz MHTQHOYFGXBEDG-INIZCTEOSA-N 1 0 399.329 2.425 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CCc2cc(Br)ccc21 ZINC000583502073 652487776 /nfs/dbraw/zinc/48/77/76/652487776.db2.gz ZTTXTXGMWXAULZ-DOTOQJQBSA-N 1 0 381.314 2.442 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000583553011 652489440 /nfs/dbraw/zinc/48/94/40/652489440.db2.gz MSSPENYCGIJUQG-OAHLLOKOSA-N 1 0 386.677 2.253 20 0 GEADRO CN(CC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)S(=O)(=O)c1cccs1 ZINC000583559538 652489704 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DMYAYONEJLSECM-HNNXBMFYSA-N 1 0 388.249 2.318 20 0 GEADRO CC(C)([NH3+])c1cc(C(=O)NCCc2ccc(I)cc2)on1 ZINC000595987187 652746193 /nfs/dbraw/zinc/74/61/93/652746193.db2.gz KUMKNLBHUMBYBG-UHFFFAOYSA-N 1 0 399.232 2.446 20 0 GEADRO Cc1cc(Br)ccc1SCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670409288 652746552 /nfs/dbraw/zinc/74/65/52/652746552.db2.gz JPWQGJGZGFGWSG-HNNXBMFYSA-N 1 0 398.370 2.356 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2cc(Br)ccc2[nH]1 ZINC000670409835 652746682 /nfs/dbraw/zinc/74/66/82/652746682.db2.gz VUWGUYUDLFFQTP-CQSZACIVSA-N 1 0 377.286 2.050 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000670447222 652749284 /nfs/dbraw/zinc/74/92/84/652749284.db2.gz NNJUPIRJZVTTIA-HUUCEWRRSA-N 1 0 396.329 2.031 20 0 GEADRO CC(C)Oc1nn(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(=S)s1 ZINC000763333385 652751864 /nfs/dbraw/zinc/75/18/64/652751864.db2.gz HUYVOOLMRAYJAI-LSDHHAIUSA-N 1 0 385.603 2.377 20 0 GEADRO C[NH+](C)C[C@@H](CO)Nc1nc(C(F)(F)F)ccc1I ZINC000596240839 652755039 /nfs/dbraw/zinc/75/50/39/652755039.db2.gz ADVIASKSPVQULJ-ZETCQYMHSA-N 1 0 389.159 2.039 20 0 GEADRO Cc1nc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000670625634 652759200 /nfs/dbraw/zinc/75/92/00/652759200.db2.gz QIOASMXBHALACK-AWEZNQCLSA-N 1 0 378.523 2.083 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1Br ZINC000670604979 652759429 /nfs/dbraw/zinc/75/94/29/652759429.db2.gz VEAJAHQKDFLINZ-STQMWFEESA-N 1 0 396.329 2.473 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCSc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000670678045 652760500 /nfs/dbraw/zinc/76/05/00/652760500.db2.gz NJYYRHGNAUOFLR-CYBMUJFWSA-N 1 0 383.945 2.395 20 0 GEADRO C[N@@H+]1CC[C@H](CC(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000635875281 652762101 /nfs/dbraw/zinc/76/21/01/652762101.db2.gz PGNDUFFBHJIOQN-LLVKDONJSA-N 1 0 379.258 2.457 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C[C@H]3CCCS3(=O)=O)C2)s1 ZINC000635908762 652764886 /nfs/dbraw/zinc/76/48/86/652764886.db2.gz NCGALEKTFVEAKF-NVXWUHKLSA-N 1 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/nfs/dbraw/zinc/78/09/50/652780950.db2.gz NLFMGSOAFHZUPS-MRVPVSSYSA-N 1 0 379.629 2.164 20 0 GEADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(Cn3cc(Br)cn3)on2)C1(C)C ZINC000636102710 652781323 /nfs/dbraw/zinc/78/13/23/652781323.db2.gz WVIUUQWRBKHXQA-ZIAGYGMSSA-N 1 0 396.289 2.140 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671181878 652785104 /nfs/dbraw/zinc/78/51/04/652785104.db2.gz UNTCBQCZFCQROT-JKSUJKDBSA-N 1 0 384.307 2.395 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ncc(Br)cn1 ZINC000671471289 652800863 /nfs/dbraw/zinc/80/08/63/652800863.db2.gz KPDSAZKDHPNGFM-SWLSCSKDSA-N 1 0 379.306 2.492 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)c2ccccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764463900 652801428 /nfs/dbraw/zinc/80/14/28/652801428.db2.gz AGCBOGQBGACMFH-AYOQOUSVSA-N 1 0 396.373 2.440 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2nc(Br)sc2C)CC1 ZINC000764509962 652802970 /nfs/dbraw/zinc/80/29/70/652802970.db2.gz WTEQQNHEAZJVLQ-LLVKDONJSA-N 1 0 389.363 2.217 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(C(F)(F)F)s1 ZINC000671685634 652807906 /nfs/dbraw/zinc/80/79/06/652807906.db2.gz JHKWZPQQEYUZKK-LLVKDONJSA-N 1 0 377.432 2.439 20 0 GEADRO Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000636567642 652808563 /nfs/dbraw/zinc/80/85/63/652808563.db2.gz KOZZYGXALMDEBV-HUUCEWRRSA-N 1 0 394.313 2.117 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnc2ccccn12 ZINC000671730205 652811535 /nfs/dbraw/zinc/81/15/35/652811535.db2.gz YZAHMDNCGMQNHB-UHFFFAOYSA-N 1 0 378.885 2.364 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)CCCCO)c1 ZINC000671771543 652812328 /nfs/dbraw/zinc/81/23/28/652812328.db2.gz BPMREPXZNKPSCG-ZDUSSCGKSA-N 1 0 393.347 2.177 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccc(Br)cc1 ZINC000671819985 652815811 /nfs/dbraw/zinc/81/58/11/652815811.db2.gz XIZHKMYPJFZSAM-NOLJZWGESA-N 1 0 394.313 2.179 20 0 GEADRO C[C@@H](CNC(=O)c1cc2ncc(Br)cn2n1)[N@@H+]1CCCC[C@@H]1C ZINC000636676161 652816131 /nfs/dbraw/zinc/81/61/31/652816131.db2.gz XBFVYTDKAOOWJW-RYUDHWBXSA-N 1 0 380.290 2.485 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC000598545812 652821355 /nfs/dbraw/zinc/82/13/55/652821355.db2.gz ULNOSMQLADIKLE-SECBINFHSA-N 1 0 387.299 2.481 20 0 GEADRO O=C(N[C@H](CCO)c1cc(Cl)cc(Cl)c1)NC1CC[NH+](CCO)CC1 ZINC000636761547 652821490 /nfs/dbraw/zinc/82/14/90/652821490.db2.gz KJWWEGROWMDRHD-MRXNPFEDSA-N 1 0 390.311 2.173 20 0 GEADRO COc1cc(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)cn1 ZINC000598596443 652823524 /nfs/dbraw/zinc/82/35/24/652823524.db2.gz RNUOIIKWWJBXOL-MRXNPFEDSA-N 1 0 397.361 2.453 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(CN3c4cc(Br)ccc4C(=O)C3=O)CC[C@H]21 ZINC000765108169 652824973 /nfs/dbraw/zinc/82/49/73/652824973.db2.gz WUXTYBKKSFOTQV-SWLSCSKDSA-N 1 0 392.297 2.352 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ncc(Br)cn3n2)[C@H](C)C1 ZINC000636907432 652829156 /nfs/dbraw/zinc/82/91/56/652829156.db2.gz BZYZCGJZCJYWDZ-RISCZKNCSA-N 1 0 380.290 2.294 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)NC[C@H]1CCCC[NH2+]1 ZINC000636989523 652833794 /nfs/dbraw/zinc/83/37/94/652833794.db2.gz XCJORIWLAZLOSS-GDBMZVCRSA-N 1 0 384.318 2.041 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)NC[C@@H]1CCCC[NH2+]1 ZINC000636988322 652833853 /nfs/dbraw/zinc/83/38/53/652833853.db2.gz IACGKVPMFACHCH-ZFWWWQNUSA-N 1 0 384.318 2.041 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637001743 652834384 /nfs/dbraw/zinc/83/43/84/652834384.db2.gz NNJFDMPATQRUNM-LBPRGKRZSA-N 1 0 385.306 2.443 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1Cc2ccc(Br)cc2C1 ZINC000765283399 652835271 /nfs/dbraw/zinc/83/52/71/652835271.db2.gz MECRTLTUTRCBAN-CYBMUJFWSA-N 1 0 381.318 2.110 20 0 GEADRO C[C@H]([NH2+]CCC(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765335355 652836686 /nfs/dbraw/zinc/83/66/86/652836686.db2.gz RNYVIGCZPWOQOP-ZDUSSCGKSA-N 1 0 376.544 2.499 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765409201 652838490 /nfs/dbraw/zinc/83/84/90/652838490.db2.gz MZMXTWKBLNXBKX-NSHDSACASA-N 1 0 398.497 2.051 20 0 GEADRO O=C(N[C@H]1Cc2cncn2C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000637123037 652840175 /nfs/dbraw/zinc/84/01/75/652840175.db2.gz UYWBELMFQSTXOG-IINYFYTJSA-N 1 0 377.242 2.393 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000637139607 652842111 /nfs/dbraw/zinc/84/21/11/652842111.db2.gz MBMVSNJKLWQFQU-LLVKDONJSA-N 1 0 377.432 2.372 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000599004156 652844386 /nfs/dbraw/zinc/84/43/86/652844386.db2.gz JUQSLYSOCCYGEL-UHFFFAOYSA-N 1 0 383.242 2.354 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000599079061 652847290 /nfs/dbraw/zinc/84/72/90/652847290.db2.gz BAXCIUFKOSAIGC-CYBMUJFWSA-N 1 0 387.249 2.235 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000599087669 652848185 /nfs/dbraw/zinc/84/81/85/652848185.db2.gz DWDNERXEWNXRKW-AWEZNQCLSA-N 1 0 399.285 2.322 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)NCC[C@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000637246346 652848294 /nfs/dbraw/zinc/84/82/94/652848294.db2.gz BPRPJAIWOAHIJK-WBVHZDCISA-N 1 0 390.311 2.437 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1I ZINC000599105691 652850028 /nfs/dbraw/zinc/85/00/28/652850028.db2.gz PVOZCZSGNLIJNE-GHMZBOCLSA-N 1 0 394.278 2.018 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C)c(I)c1 ZINC000599106645 652850436 /nfs/dbraw/zinc/85/04/36/652850436.db2.gz FOLOSHJKYPGWPJ-QWHCGFSZSA-N 1 0 394.278 2.018 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2=O)ccc1Br ZINC000765840864 652855479 /nfs/dbraw/zinc/85/54/79/652855479.db2.gz UCQIWFNGAWPJGS-HNNXBMFYSA-N 1 0 394.313 2.463 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc(Br)cnc2OC)C1 ZINC000637406995 652856633 /nfs/dbraw/zinc/85/66/33/652856633.db2.gz ODWDIHKMPZOXPD-GFCCVEGCSA-N 1 0 385.306 2.336 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000637406867 652856759 /nfs/dbraw/zinc/85/67/59/652856759.db2.gz JIJPYGHOYXSOSV-KGLIPLIRSA-N 1 0 383.290 2.231 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H]1C ZINC000765933773 652858559 /nfs/dbraw/zinc/85/85/59/652858559.db2.gz WAWLYOPWWYUTFL-CHWSQXEVSA-N 1 0 387.933 2.145 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)CCc2c(F)cccc2F)C[C@H]1[NH+]1CCCC1 ZINC000599279508 652858626 /nfs/dbraw/zinc/85/86/26/652858626.db2.gz QSMRFNGYYKMICT-SJORKVTESA-N 1 0 390.521 2.349 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000673224355 652858980 /nfs/dbraw/zinc/85/89/80/652858980.db2.gz DOYNJQHHGNSQSM-ZDUSSCGKSA-N 1 0 398.345 2.466 20 0 GEADRO CCC(=O)N1CSC[C@H]1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000673483689 652865228 /nfs/dbraw/zinc/86/52/28/652865228.db2.gz XDACOCKHCHEEJV-ZBFHGGJFSA-N 1 0 383.945 2.413 20 0 GEADRO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673516225 652866843 /nfs/dbraw/zinc/86/68/43/652866843.db2.gz NEMAAKSQDITQKU-NWDGAFQWSA-N 1 0 396.260 2.351 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000766092694 652866885 /nfs/dbraw/zinc/86/68/85/652866885.db2.gz GZCHWQUVBLKDFI-MLGOLLRUSA-N 1 0 392.297 2.419 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000637633825 652867349 /nfs/dbraw/zinc/86/73/49/652867349.db2.gz CYCMSIRHAQXUGD-UHFFFAOYSA-N 1 0 384.322 2.343 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000637635066 652867800 /nfs/dbraw/zinc/86/78/00/652867800.db2.gz BJGZADDEOWLPDK-CYBMUJFWSA-N 1 0 384.322 2.343 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000637635526 652868212 /nfs/dbraw/zinc/86/82/12/652868212.db2.gz LYXPOBAORGQSKB-UHFFFAOYSA-N 1 0 394.317 2.456 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000766186591 652870956 /nfs/dbraw/zinc/87/09/56/652870956.db2.gz YEJKYIAOUOSFLN-IAQYHMDHSA-N 1 0 381.274 2.223 20 0 GEADRO Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccncc1OCC[NH+](C)C ZINC000673580063 652871782 /nfs/dbraw/zinc/87/17/82/652871782.db2.gz LNFNVJZKUYHXSN-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)NC[C@H]1CCC[NH2+]1 ZINC000637746279 652872373 /nfs/dbraw/zinc/87/23/73/652872373.db2.gz LMUFFUWVNSOODG-GFCCVEGCSA-N 1 0 380.246 2.050 20 0 GEADRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000673611405 652873347 /nfs/dbraw/zinc/87/33/47/652873347.db2.gz RBUMUSDRXBMYJJ-OAHLLOKOSA-N 1 0 379.448 2.374 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C[C@@H](C)[NH2+]1 ZINC000637841097 652875115 /nfs/dbraw/zinc/87/51/15/652875115.db2.gz SHIHZKNPMJKNKI-XJKCOSOUSA-N 1 0 394.313 2.149 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000637846875 652875280 /nfs/dbraw/zinc/87/52/80/652875280.db2.gz ZARCDYGAGSKARF-WQVCFCJDSA-N 1 0 394.313 2.136 20 0 GEADRO CSC(C)(C)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766362828 652877161 /nfs/dbraw/zinc/87/71/61/652877161.db2.gz YJHFNBSQENIZQU-GFCCVEGCSA-N 1 0 394.584 2.204 20 0 GEADRO CN(Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000637946684 652878271 /nfs/dbraw/zinc/87/82/71/652878271.db2.gz KXPSETGKNOJMPY-MRXNPFEDSA-N 1 0 379.551 2.492 20 0 GEADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@@H]1CCCCO1 ZINC000637969924 652879712 /nfs/dbraw/zinc/87/97/12/652879712.db2.gz NTMFQSKGWHJZRY-LBPRGKRZSA-N 1 0 377.304 2.097 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599606304 652879990 /nfs/dbraw/zinc/87/99/90/652879990.db2.gz VJBDGSNENVJYSF-WCBMZHEXSA-N 1 0 375.210 2.172 20 0 GEADRO CC(C)(C)C[N@H+](CCCO)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638033474 652882112 /nfs/dbraw/zinc/88/21/12/652882112.db2.gz FHGFHUNTOJPIGD-UHFFFAOYSA-N 1 0 393.347 2.327 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673841 652883029 /nfs/dbraw/zinc/88/30/29/652883029.db2.gz UJCPZCKRFQWJDM-COPLHBTASA-N 1 0 388.249 2.321 20 0 GEADRO [NH3+][C@H]1CCc2nc(NC(=O)COc3ccc(Br)cn3)sc2C1 ZINC000638235273 652884310 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COc1cc(Br)c(CN2CCC[C@](O)(C[NH+](C)C)C2)cc1OC ZINC000639766724 652952752 /nfs/dbraw/zinc/95/27/52/652952752.db2.gz QIDPDGQCCSIBHN-KRWDZBQOSA-N 1 0 387.318 2.355 20 0 GEADRO COc1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cnc1Cl ZINC000767826998 652953448 /nfs/dbraw/zinc/95/34/48/652953448.db2.gz XPSDUDCAQNHSGQ-ZDUSSCGKSA-N 1 0 375.922 2.390 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1Cl ZINC000767827061 652953462 /nfs/dbraw/zinc/95/34/62/652953462.db2.gz XYQCGBOBWHEUMC-SWLSCSKDSA-N 1 0 385.917 2.381 20 0 GEADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000601108685 652954636 /nfs/dbraw/zinc/95/46/36/652954636.db2.gz IOIAHELHPBJUTO-MZFXBISCSA-N 1 0 378.947 2.157 20 0 GEADRO CC[N@H+](CCC(=O)NCc1cnc(C)s1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639826128 653085772 /nfs/dbraw/zinc/08/57/72/653085772.db2.gz PXNAYAKYAPVAGP-ZDUSSCGKSA-N 1 0 378.464 2.416 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000639916327 653088453 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GEADRO CO[C@H]1C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)[C@@](C)(CO)C1 ZINC000640005455 653093244 /nfs/dbraw/zinc/09/32/44/653093244.db2.gz WSOJIRCXIFLVHX-CXAGYDPISA-N 1 0 375.296 2.124 20 0 GEADRO Cc1nn(C)c(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000640161780 653097493 /nfs/dbraw/zinc/09/74/93/653097493.db2.gz GKOBIVAHKYXOSP-UHFFFAOYSA-N 1 0 379.262 2.240 20 0 GEADRO C[C@H](CNC(=O)Nc1cc(N2CCOCC2)ccc1Br)[NH+](C)C ZINC000640232928 653104745 /nfs/dbraw/zinc/10/47/45/653104745.db2.gz BHYPYNJHGAUACG-GFCCVEGCSA-N 1 0 385.306 2.357 20 0 GEADRO O=C(Nc1cccc(F)c1I)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601560083 653111313 /nfs/dbraw/zinc/11/13/13/653111313.db2.gz IWJHDDBAUOZTRN-DTORHVGOSA-N 1 0 375.185 2.398 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3nn(CC(F)(F)F)cc3Cl)C2)C1 ZINC000640298922 653111743 /nfs/dbraw/zinc/11/17/43/653111743.db2.gz QQPDDXPFCFXXCQ-AWEZNQCLSA-N 1 0 379.814 3.048 20 0 GEADRO Cn1cc(Br)c(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000640307789 653112797 /nfs/dbraw/zinc/11/27/97/653112797.db2.gz ILQQSKVLWHYTCB-CQSZACIVSA-N 1 0 392.301 2.969 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CN2c3cccc(Br)c3C(=O)C2=O)C1 ZINC000768502042 653114280 /nfs/dbraw/zinc/11/42/80/653114280.db2.gz KMBBYHLFXKWSPE-GXTWGEPZSA-N 1 0 392.297 2.352 20 0 GEADRO Cn1cc(Br)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000640312376 653116640 /nfs/dbraw/zinc/11/66/40/653116640.db2.gz AZNVCBSCLYEEHD-KGLIPLIRSA-N 1 0 378.274 2.750 20 0 GEADRO C[C@@H](NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)C1CC[NH+](C)CC1 ZINC000640384423 653123871 /nfs/dbraw/zinc/12/38/71/653123871.db2.gz PQBHJMJLRADVSR-SSDOTTSWSA-N 1 0 387.378 3.044 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3nnc(C(F)(F)C(F)(F)F)s3)[C@@H]2C1 ZINC000640385182 653124204 /nfs/dbraw/zinc/12/42/04/653124204.db2.gz MQSYRDHMSYZKCU-HTQZYQBOSA-N 1 0 385.362 2.750 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3nnc(C(F)(F)C(F)(F)F)s3)C2)C1 ZINC000640385951 653124534 /nfs/dbraw/zinc/12/45/34/653124534.db2.gz FEKCZTWCYRERAI-LLVKDONJSA-N 1 0 385.362 2.752 20 0 GEADRO CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805762466 653129618 /nfs/dbraw/zinc/12/96/18/653129618.db2.gz ASKXXWRCBDUQQJ-HNNXBMFYSA-N 1 0 377.551 2.085 20 0 GEADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCc1nnnn1C ZINC000771876208 653130400 /nfs/dbraw/zinc/13/04/00/653130400.db2.gz LCDWGTOMVCEAKN-UHFFFAOYSA-N 1 0 380.283 2.402 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000678690361 653130975 /nfs/dbraw/zinc/13/09/75/653130975.db2.gz VMKBOCVKATWVGB-OAHLLOKOSA-N 1 0 388.327 2.430 20 0 GEADRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(F)(F)Br ZINC000805837208 653131468 /nfs/dbraw/zinc/13/14/68/653131468.db2.gz WRAHEIUQCWGPGQ-CYBMUJFWSA-N 1 0 378.261 2.325 20 0 GEADRO Cc1nnc2n1C[C@H](C[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)CC2 ZINC000601953176 653132643 /nfs/dbraw/zinc/13/26/43/653132643.db2.gz BYPKQTUXNCTMLT-WFASDCNBSA-N 1 0 385.295 2.485 20 0 GEADRO C[NH+](C)CCn1cc(NS(=O)(=O)/C=C/c2cccc(Cl)c2)ccc1=O ZINC000768864454 653132929 /nfs/dbraw/zinc/13/29/29/653132929.db2.gz RDLBVXAYQNMISB-DHZHZOJOSA-N 1 0 381.885 2.476 20 0 GEADRO Cc1ncc(CC[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)s1 ZINC000771975166 653135290 /nfs/dbraw/zinc/13/52/90/653135290.db2.gz DTTLRIRKIRLXCX-LBPRGKRZSA-N 1 0 388.946 2.302 20 0 GEADRO [NH3+][C@@H]1CN(c2ncnc3cc(I)sc32)CC[C@H]1F ZINC000601985487 653136621 /nfs/dbraw/zinc/13/66/21/653136621.db2.gz XHZVBPUGUNXXNB-RNFRBKRXSA-N 1 0 378.214 2.171 20 0 GEADRO CC(C)(CO)[NH+]1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000679134796 653139196 /nfs/dbraw/zinc/13/91/96/653139196.db2.gz BCKFCMDEGDOHJB-UHFFFAOYSA-N 1 0 399.329 2.499 20 0 GEADRO C[N@H+](CCOC(=O)Cn1cc(Br)ccc1=O)Cc1ccc(F)cc1 ZINC000769075221 653142389 /nfs/dbraw/zinc/14/23/89/653142389.db2.gz UHIMLJANYUMLQN-UHFFFAOYSA-N 1 0 397.244 2.425 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640880424 653143522 /nfs/dbraw/zinc/14/35/22/653143522.db2.gz JZVWPRXLAFJQFS-VCTAVGKDSA-N 1 0 394.273 2.419 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679336319 653144193 /nfs/dbraw/zinc/14/41/93/653144193.db2.gz LHPKBUAXEDLCBM-FUHWJXTLSA-N 1 0 396.329 2.033 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)NCCNc2cccc(Br)c2)cn1 ZINC000679340776 653144851 /nfs/dbraw/zinc/14/48/51/653144851.db2.gz ATWSYGUHFSDVBE-UHFFFAOYSA-N 1 0 395.305 2.441 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2noc(C3CC3)n2)nn1)c1ccc(Br)cc1 ZINC000640898451 653144916 /nfs/dbraw/zinc/14/49/16/653144916.db2.gz DJOTYBPOYSWVMO-CQSZACIVSA-N 1 0 375.230 2.397 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)n1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640900706 653145048 /nfs/dbraw/zinc/14/50/48/653145048.db2.gz BADSVSOSXFYIHZ-KMUNFCNLSA-N 1 0 394.273 2.419 20 0 GEADRO [NH3+][C@H](c1cn(Cc2noc(C3CC3)n2)nn1)c1ccc(Br)cc1 ZINC000640898450 653145079 /nfs/dbraw/zinc/14/50/79/653145079.db2.gz DJOTYBPOYSWVMO-AWEZNQCLSA-N 1 0 375.230 2.397 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640984741 653148883 /nfs/dbraw/zinc/14/88/83/653148883.db2.gz XVRRJZORJROOSH-LBPRGKRZSA-N 1 0 382.295 2.396 20 0 GEADRO Brc1csc(-c2noc(Cn3cc(C[C@H]4CC[NH2+]C4)nn3)n2)c1 ZINC000640993575 653149770 /nfs/dbraw/zinc/14/97/70/653149770.db2.gz BZFPBIIOMKLPTG-SECBINFHSA-N 1 0 395.286 2.352 20 0 GEADRO COC[C@H]([NH3+])Cc1cn(Cc2coc(-c3ccc(Br)cc3)n2)nn1 ZINC000641000801 653150137 /nfs/dbraw/zinc/15/01/37/653150137.db2.gz ZXUBUZZGRCATQR-CYBMUJFWSA-N 1 0 392.257 2.260 20 0 GEADRO COC(=O)CN(Cc1cccc(Br)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602147775 653151021 /nfs/dbraw/zinc/15/10/21/653151021.db2.gz JKYDSHRLHAXKDM-CQSZACIVSA-N 1 0 383.286 2.293 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000641043800 653152866 /nfs/dbraw/zinc/15/28/66/653152866.db2.gz QSNATVPOFMWMFR-GDBMZVCRSA-N 1 0 384.318 2.041 20 0 GEADRO CC(C)[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1F ZINC000679768884 653152767 /nfs/dbraw/zinc/15/27/67/653152767.db2.gz WEBNVOAHHZEPPR-KRWDZBQOSA-N 1 0 391.940 2.343 20 0 GEADRO CC(C)N1CC[C@H](n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641045226 653152962 /nfs/dbraw/zinc/15/29/62/653152962.db2.gz HZOZRSCUIOUWDP-LSDHHAIUSA-N 1 0 378.274 2.271 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000641070251 653154291 /nfs/dbraw/zinc/15/42/91/653154291.db2.gz BHHSMLWRGGWKCY-JKSUJKDBSA-N 1 0 398.345 2.350 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641072582 653154749 /nfs/dbraw/zinc/15/47/49/653154749.db2.gz KQUVHXUZVZUZJI-GOEBONIOSA-N 1 0 398.345 2.350 20 0 GEADRO CN(C)c1nc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)ns1 ZINC000641085916 653155406 /nfs/dbraw/zinc/15/54/06/653155406.db2.gz RKORVAAAMTXMEX-ZDUSSCGKSA-N 1 0 394.302 2.055 20 0 GEADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)N[C@@H]1CCC[NH2+]CC1 ZINC000641089439 653155463 /nfs/dbraw/zinc/15/54/63/653155463.db2.gz BJGNHJWANJNVJL-CYBMUJFWSA-N 1 0 394.273 2.440 20 0 GEADRO [NH3+]CCCCc1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641103398 653156188 /nfs/dbraw/zinc/15/61/88/653156188.db2.gz BTMMSKMBAODXQJ-OAHLLOKOSA-N 1 0 378.274 2.300 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000679889200 653157989 /nfs/dbraw/zinc/15/79/89/653157989.db2.gz RIZKPZVUZJMSIO-UHFFFAOYSA-N 1 0 384.274 2.194 20 0 GEADRO Brc1cc2c(cc1Cn1cc(C[C@H]3CC[NH2+]C3)nn1)OCCCO2 ZINC000641121614 653159411 /nfs/dbraw/zinc/15/94/11/653159411.db2.gz WVNQBAMIXKWDHO-GFCCVEGCSA-N 1 0 393.285 2.402 20 0 GEADRO O=C(NCc1cn(CCc2c(Cl)cccc2Cl)nn1)C1CC[NH2+]CC1 ZINC000641123063 653159690 /nfs/dbraw/zinc/15/96/90/653159690.db2.gz GHGOCHSRNAXBPV-UHFFFAOYSA-N 1 0 382.295 2.443 20 0 GEADRO O=C(Cn1cc([C@H]2CCC[NH2+]C2)nn1)c1c[nH]c2ncc(Br)cc12 ZINC000641168845 653164722 /nfs/dbraw/zinc/16/47/22/653164722.db2.gz QEVZHMXGYDVNPN-JTQLQIEISA-N 1 0 389.257 2.267 20 0 GEADRO Cn1c(Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)nc2ccc(Br)cc21 ZINC000641172419 653165495 /nfs/dbraw/zinc/16/54/95/653165495.db2.gz GGVJNYZVOAGZOA-HOCLYGCPSA-N 1 0 391.273 2.154 20 0 GEADRO O=C(NCc1cn(Cc2cc(Cl)cc(Cl)c2F)nn1)C1CC[NH2+]CC1 ZINC000641175447 653166117 /nfs/dbraw/zinc/16/61/17/653166117.db2.gz ZAEKUTWYBOENNF-UHFFFAOYSA-N 1 0 386.258 2.388 20 0 GEADRO CC1CC[NH+](CCCNC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769620462 653166616 /nfs/dbraw/zinc/16/66/16/653166616.db2.gz FXZMCDZORAHQBT-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO CCSc1ccc(Cn2cc(CC[C@@H](O)C[NH3+])nn2)c(Br)c1 ZINC000641186615 653167227 /nfs/dbraw/zinc/16/72/27/653167227.db2.gz IIYXJWKBIAYZTI-CYBMUJFWSA-N 1 0 385.331 2.453 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000772845390 653168848 /nfs/dbraw/zinc/16/88/48/653168848.db2.gz IYAMHICBYUBVPF-LZWOXQAQSA-N 1 0 376.444 2.417 20 0 GEADRO CC[C@](C)([NH3+])c1cn(C[C@@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641228569 653171882 /nfs/dbraw/zinc/17/18/82/653171882.db2.gz LVJOINLUPLWYIO-DOMZBBRYSA-N 1 0 387.253 2.204 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641229414 653171911 /nfs/dbraw/zinc/17/19/11/653171911.db2.gz RNADRRHMNPMMDA-BXUZGUMPSA-N 1 0 399.264 2.087 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769740643 653173938 /nfs/dbraw/zinc/17/39/38/653173938.db2.gz GIZCBWKNXBNHJY-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000772964611 653174849 /nfs/dbraw/zinc/17/48/49/653174849.db2.gz OOEIKUXVEOLITC-ZDUSSCGKSA-N 1 0 377.304 2.192 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000772980621 653175675 /nfs/dbraw/zinc/17/56/75/653175675.db2.gz YMMHVWHEDPCDHB-OAHLLOKOSA-N 1 0 393.347 2.446 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=S)NCc1ccc(Br)cc1 ZINC000769760992 653175898 /nfs/dbraw/zinc/17/58/98/653175898.db2.gz UGMSCYDSVNQTDN-AWEZNQCLSA-N 1 0 399.402 2.439 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000681057030 653176234 /nfs/dbraw/zinc/17/62/34/653176234.db2.gz ILZLWOXAHMFLME-UHFFFAOYSA-N 1 0 386.315 2.444 20 0 GEADRO COC[C@@](C)(CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000681119953 653178554 /nfs/dbraw/zinc/17/85/54/653178554.db2.gz PRTLKVONFPSTQW-GFCCVEGCSA-N 1 0 382.096 2.281 20 0 GEADRO C[N@H+](CCNC(=O)NCc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000602420640 653179663 /nfs/dbraw/zinc/17/96/63/653179663.db2.gz AUIXLZMZJFEWLE-UHFFFAOYSA-N 1 0 384.274 2.114 20 0 GEADRO COc1cc(CS(=O)(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)sn1 ZINC000641292140 653179953 /nfs/dbraw/zinc/17/99/53/653179953.db2.gz IKYLBTFCAVINBS-DZGCQCFKSA-N 1 0 381.523 2.407 20 0 GEADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000773085638 653180395 /nfs/dbraw/zinc/18/03/95/653180395.db2.gz ZOWOZCZONKPBAR-OAHLLOKOSA-N 1 0 376.588 2.068 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC[NH2+]CC1 ZINC000602447284 653181707 /nfs/dbraw/zinc/18/17/07/653181707.db2.gz MHGGUZWRGBZFGH-RUZDIDTESA-N 1 0 375.372 2.286 20 0 GEADRO C[S@](=O)C1(C(=O)NCC2(c3ccccc3Br)CC2)CC[NH2+]CC1 ZINC000602456691 653182533 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Cc1cccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1Br ZINC000682477381 653211961 /nfs/dbraw/zinc/21/19/61/653211961.db2.gz ZAQVUBXJWWFMGE-HZPDHXFCSA-N 1 0 396.329 2.498 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000602892742 653213086 /nfs/dbraw/zinc/21/30/86/653213086.db2.gz SIVUTBAZZGNIJU-WAIKUNEKSA-N 1 0 379.353 2.490 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682498788 653215602 /nfs/dbraw/zinc/21/56/02/653215602.db2.gz DCKKVEIBRHIJRV-UHFFFAOYSA-N 1 0 388.737 2.399 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCCOC1 ZINC000770703546 653221520 /nfs/dbraw/zinc/22/15/20/653221520.db2.gz CLJPFVIZSPIVHX-GUYCJALGSA-N 1 0 392.279 2.435 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CN1c2cc(Br)ccc2C(=O)C1=O ZINC000808190480 653221634 /nfs/dbraw/zinc/22/16/34/653221634.db2.gz GDMLDEVPEYABIH-DOMZBBRYSA-N 1 0 392.297 2.495 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)c1nn(C)cc1I ZINC000603023013 653222263 /nfs/dbraw/zinc/22/22/63/653222263.db2.gz RVFJAJUEKQGCMV-UHFFFAOYSA-N 1 0 392.285 2.219 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000774099165 653224548 /nfs/dbraw/zinc/22/45/48/653224548.db2.gz GTUSNYIJOHNGPQ-YPMHNXCESA-N 1 0 397.317 2.328 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000808307534 653225975 /nfs/dbraw/zinc/22/59/75/653225975.db2.gz STTKZXMJSXAYNL-LLVKDONJSA-N 1 0 389.905 2.070 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000774148330 653226598 /nfs/dbraw/zinc/22/65/98/653226598.db2.gz HJOXHNGHCJVAKX-CYBMUJFWSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000774146644 653226609 /nfs/dbraw/zinc/22/66/09/653226609.db2.gz BOVJFLUMAQSTPD-CQSZACIVSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000774148331 653226673 /nfs/dbraw/zinc/22/66/73/653226673.db2.gz HJOXHNGHCJVAKX-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000641650968 653227735 /nfs/dbraw/zinc/22/77/35/653227735.db2.gz YNVUTVPWPZZLQH-UHFFFAOYSA-N 1 0 385.496 2.055 20 0 GEADRO CN1C(=O)C[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000683144053 653228141 /nfs/dbraw/zinc/22/81/41/653228141.db2.gz FHJZCXQVEKUJGK-KCTSRDHCSA-N 1 0 388.892 2.165 20 0 GEADRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(Cl)s1 ZINC000641667173 653229227 /nfs/dbraw/zinc/22/92/27/653229227.db2.gz BTIZXZNLVIKHAW-CABCVRRESA-N 1 0 385.961 2.418 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000808424634 653229212 /nfs/dbraw/zinc/22/92/12/653229212.db2.gz PECHYKJBKWSIRL-LLVKDONJSA-N 1 0 383.486 2.096 20 0 GEADRO CC(C)O[C@@]1(CS(=O)(=O)N(C)CCCC[NH+]2CCCCC2)CCOC1 ZINC000641697595 653231348 /nfs/dbraw/zinc/23/13/48/653231348.db2.gz IAKUCUIDWJZULY-SFHVURJKSA-N 1 0 376.563 2.098 20 0 GEADRO OC[C@@H](CC(F)F)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000641765436 653233111 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C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3F)CC[C@@H]21 ZINC000874174684 653280687 /nfs/dbraw/zinc/28/06/87/653280687.db2.gz QREAZWBYWREHHV-MFKMUULPSA-N 1 0 384.249 2.079 20 0 GEADRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000857080312 653282586 /nfs/dbraw/zinc/28/25/86/653282586.db2.gz FYDZGTXFNRJEDD-YPMHNXCESA-N 1 0 396.481 2.108 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000700972838 653318608 /nfs/dbraw/zinc/31/86/08/653318608.db2.gz CSIFKLUZYIYEDF-SSDOTTSWSA-N 1 0 382.629 2.372 20 0 GEADRO Nc1cc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc(Br)n1 ZINC000874253701 653295901 /nfs/dbraw/zinc/29/59/01/653295901.db2.gz VTJKOXXNVSXXQH-UHFFFAOYSA-N 1 0 397.317 2.001 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000685103440 653297352 /nfs/dbraw/zinc/29/73/52/653297352.db2.gz OTAQHZZGULIAIN-BBRMVZONSA-N 1 0 396.329 2.172 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)[NH+]1CCCCCC1 ZINC000775168994 653298886 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Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000685673722 653311602 /nfs/dbraw/zinc/31/16/02/653311602.db2.gz VQBZTJIHTDOGGM-UHFFFAOYSA-N 1 0 378.786 2.261 20 0 GEADRO CC[C@@H](CSC)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000775419132 653313178 /nfs/dbraw/zinc/31/31/78/653313178.db2.gz GAYRXPWJRAOKEG-OCCSQVGLSA-N 1 0 394.584 2.204 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1Br ZINC000874364716 653313295 /nfs/dbraw/zinc/31/32/95/653313295.db2.gz NPQMXSXEQFUNPV-UONOGXRCSA-N 1 0 396.285 2.091 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1cccc(Br)c1F ZINC000874364776 653313378 /nfs/dbraw/zinc/31/33/78/653313378.db2.gz ATZSGERFPCUIGG-QWHCGFSZSA-N 1 0 384.249 2.222 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000874368429 653313893 /nfs/dbraw/zinc/31/38/93/653313893.db2.gz PBGAEJBCZOLIEZ-HUUCEWRRSA-N 1 0 380.286 2.391 20 0 GEADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1c(Br)nc2n1CCOC2 ZINC000857340992 653314121 /nfs/dbraw/zinc/31/41/21/653314121.db2.gz LGQVTULVUQNDER-UHFFFAOYSA-N 1 0 397.317 2.028 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000685888395 653315901 /nfs/dbraw/zinc/31/59/01/653315901.db2.gz AMLKGIHPMMEJIX-CYBMUJFWSA-N 1 0 384.318 2.416 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C[C@@H]1C ZINC000775535058 653316144 /nfs/dbraw/zinc/31/61/44/653316144.db2.gz FQEOKLQCHQUVNR-QWRGUYRKSA-N 1 0 391.896 2.071 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc(C(=O)OC)cc1Br ZINC000810038200 653318479 /nfs/dbraw/zinc/31/84/79/653318479.db2.gz PGJCLDCJXDUBKF-UHFFFAOYSA-N 1 0 394.287 2.286 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3csc(I)c3)C[C@]2(C)C1 ZINC000702376282 653319613 /nfs/dbraw/zinc/31/96/13/653319613.db2.gz LXQKURZSLFGSGY-MFKMUULPSA-N 1 0 376.263 2.376 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000810058670 653319994 /nfs/dbraw/zinc/31/99/94/653319994.db2.gz RAYQYLYOHGGOAW-CABCVRRESA-N 1 0 377.551 2.036 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(Br)cc(C(=O)OC)c1 ZINC000810061894 653320571 /nfs/dbraw/zinc/32/05/71/653320571.db2.gz UTWVEYWVMZKLDK-UHFFFAOYSA-N 1 0 394.287 2.286 20 0 GEADRO COC(=O)C[C@]1([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCCOC1 ZINC000775674288 653321253 /nfs/dbraw/zinc/32/12/53/653321253.db2.gz UOYDAHRRAYMYNK-GOEBONIOSA-N 1 0 390.249 2.324 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCCOC1 ZINC000775674290 653321389 /nfs/dbraw/zinc/32/13/89/653321389.db2.gz UOYDAHRRAYMYNK-ZBFHGGJFSA-N 1 0 390.249 2.324 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C2(Br)CC2)CC1 ZINC000874467643 653321675 /nfs/dbraw/zinc/32/16/75/653321675.db2.gz SVHHWZBYNSUMHK-UHFFFAOYSA-N 1 0 388.350 2.001 20 0 GEADRO CCn1ncc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1Br ZINC000874468239 653321867 /nfs/dbraw/zinc/32/18/67/653321867.db2.gz VJTYFZTUBJFLBC-CYBMUJFWSA-N 1 0 385.306 2.039 20 0 GEADRO CN(CCOCC[NH2+]Cc1cc(Br)nn1C)C(=O)OC(C)(C)C ZINC000706642989 653321886 /nfs/dbraw/zinc/32/18/86/653321886.db2.gz KLXDMZIJYPWFMV-UHFFFAOYSA-N 1 0 391.310 2.156 20 0 GEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cnc(Br)cn1 ZINC000711165273 653323381 /nfs/dbraw/zinc/32/33/81/653323381.db2.gz PMKCUEZKEUFNSQ-QGZVFWFLSA-N 1 0 377.286 2.312 20 0 GEADRO CC[C@@H](CNC(=O)c1c(Br)nnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000810091294 653323794 /nfs/dbraw/zinc/32/37/94/653323794.db2.gz OAFDJIBANPFHQX-AWEZNQCLSA-N 1 0 392.301 2.144 20 0 GEADRO Cn1nnc(Br)c1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000810091191 653324050 /nfs/dbraw/zinc/32/40/50/653324050.db2.gz KGQOXDQJDOBHFU-UHFFFAOYSA-N 1 0 378.274 2.103 20 0 GEADRO Cn1nnc(Br)c1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000810112267 653326332 /nfs/dbraw/zinc/32/63/32/653326332.db2.gz OHNVGJLJGDPYBX-UHFFFAOYSA-N 1 0 392.301 2.015 20 0 GEADRO COC[C@@]1(C[NH2+]Cc2cc(Br)nn2C)OCCc2ccccc21 ZINC000810158326 653328827 /nfs/dbraw/zinc/32/88/27/653328827.db2.gz LLCNDNAQTKVOOQ-QGZVFWFLSA-N 1 0 380.286 2.387 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(Br)nc1 ZINC000810212519 653331289 /nfs/dbraw/zinc/33/12/89/653331289.db2.gz SPIFFBWEISTLPC-LBPRGKRZSA-N 1 0 384.299 2.473 20 0 GEADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(Br)nc1 ZINC000810217942 653331362 /nfs/dbraw/zinc/33/13/62/653331362.db2.gz NAZAUCKPAMOMDY-LBPRGKRZSA-N 1 0 390.347 2.004 20 0 GEADRO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000810226827 653331771 /nfs/dbraw/zinc/33/17/71/653331771.db2.gz MINYNFYLHIVCBV-MHECFPHRSA-N 1 0 378.519 2.239 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Br)nc1 ZINC000810234317 653331862 /nfs/dbraw/zinc/33/18/62/653331862.db2.gz CGIUTFPLQLNCRY-GXTWGEPZSA-N 1 0 392.301 2.419 20 0 GEADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1c(Br)nnn1C)c1ccccc1 ZINC000810343602 653335370 /nfs/dbraw/zinc/33/53/70/653335370.db2.gz LVZFKDFOYJMWIK-LLVKDONJSA-N 1 0 380.290 2.437 20 0 GEADRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1c(Br)nnn1C)c1ccccc1 ZINC000810343603 653335482 /nfs/dbraw/zinc/33/54/82/653335482.db2.gz LVZFKDFOYJMWIK-NSHDSACASA-N 1 0 380.290 2.437 20 0 GEADRO O=C(c1cc(Cl)ncc1Br)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000810358542 653336368 /nfs/dbraw/zinc/33/63/68/653336368.db2.gz CBMBOOVGSKWCHA-STQMWFEESA-N 1 0 388.693 2.169 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000776047671 653336592 /nfs/dbraw/zinc/33/65/92/653336592.db2.gz AGKVHERMUMAEPC-KGLIPLIRSA-N 1 0 383.290 2.215 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1ccc(C=O)cc1Br ZINC000874840030 653339037 /nfs/dbraw/zinc/33/90/37/653339037.db2.gz ZIDRKFVWAWVSNK-LSDHHAIUSA-N 1 0 381.270 2.336 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)C(F)(F)F)n1 ZINC000874846569 653339454 /nfs/dbraw/zinc/33/94/54/653339454.db2.gz YOCZNVPREVJUJW-SLEUVZQESA-N 1 0 377.432 2.287 20 0 GEADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]CC[S@](=O)C(C)(C)C ZINC000776265081 653343585 /nfs/dbraw/zinc/34/35/85/653343585.db2.gz NAGBOAAHZICDPA-CJBBJWSSSA-N 1 0 376.563 2.442 20 0 GEADRO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000875002174 653346544 /nfs/dbraw/zinc/34/65/44/653346544.db2.gz XEKXSGLNKZDVDF-CYBMUJFWSA-N 1 0 376.328 2.163 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000875028820 653347695 /nfs/dbraw/zinc/34/76/95/653347695.db2.gz FDELPOPQYLIQGH-UHFFFAOYSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCc2ncc(Cl)s2)C1 ZINC000875065803 653349822 /nfs/dbraw/zinc/34/98/22/653349822.db2.gz ISCHVBAHHJHPHF-BETUJISGSA-N 1 0 386.949 2.287 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)NCc1ncc(Cl)s1)[NH+]1CCC(C)CC1 ZINC000875057773 653349856 /nfs/dbraw/zinc/34/98/56/653349856.db2.gz UJYDYBOUKWFGPC-ZDUSSCGKSA-N 1 0 386.949 2.285 20 0 GEADRO Cn1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c(Br)n1 ZINC000858152736 653351083 /nfs/dbraw/zinc/35/10/83/653351083.db2.gz AYYGOTATZIENRN-AWEZNQCLSA-N 1 0 379.306 2.330 20 0 GEADRO CCCCn1nc(C)c(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Cl ZINC000776499286 653351823 /nfs/dbraw/zinc/35/18/23/653351823.db2.gz UIKZUYDMBGOKIX-YOEHRIQHSA-N 1 0 389.949 2.471 20 0 GEADRO CNC(=O)[C@H](C[NH2+]Cc1cn(C)nc1Br)Cc1ccc(F)cc1C ZINC000858181775 653353384 /nfs/dbraw/zinc/35/33/84/653353384.db2.gz XSNCVESRQFVHPM-ZDUSSCGKSA-N 1 0 397.292 2.325 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000875132477 653354195 /nfs/dbraw/zinc/35/41/95/653354195.db2.gz QVQFRCAXQBBCFV-JGGQBBKZSA-N 1 0 394.313 2.179 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@H]1CCCOC1 ZINC000858205873 653354287 /nfs/dbraw/zinc/35/42/87/653354287.db2.gz DGZGKPCSQKKWIR-KGLIPLIRSA-N 1 0 375.922 2.111 20 0 GEADRO CN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Br)cn1 ZINC000875183208 653356659 /nfs/dbraw/zinc/35/66/59/653356659.db2.gz HUGDBRRTBQVQSN-HUUCEWRRSA-N 1 0 392.301 2.276 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cnc(Cl)c(Br)c1 ZINC000836510378 653357091 /nfs/dbraw/zinc/35/70/91/653357091.db2.gz CHRLZWRYKSRUSL-LLVKDONJSA-N 1 0 391.697 2.466 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000875226880 653359484 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Cc1c(Br)nccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000836682841 653369255 /nfs/dbraw/zinc/36/92/55/653369255.db2.gz VQSVHCQKAHKZIF-ZDUSSCGKSA-N 1 0 383.290 2.339 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858607396 653369541 /nfs/dbraw/zinc/36/95/41/653369541.db2.gz AZKIGUCZKKSSOL-CYBMUJFWSA-N 1 0 381.420 2.181 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000858611605 653369910 /nfs/dbraw/zinc/36/99/10/653369910.db2.gz SEKQQGJEFLMMRI-LLVKDONJSA-N 1 0 375.878 2.268 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000875439927 653370148 /nfs/dbraw/zinc/37/01/48/653370148.db2.gz QXRKRERHMNMHQQ-QZTJIDSGSA-N 1 0 375.916 2.434 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000858614765 653370143 /nfs/dbraw/zinc/37/01/43/653370143.db2.gz BCQWPYVKCKBBJZ-SNVBAGLBSA-N 1 0 382.711 2.116 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)cc1Cl ZINC000858616758 653370730 /nfs/dbraw/zinc/37/07/30/653370730.db2.gz XJXSWBXGAGVQJF-UHFFFAOYSA-N 1 0 375.878 2.268 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Cl ZINC000858616655 653370739 /nfs/dbraw/zinc/37/07/39/653370739.db2.gz VOMNSDHLVBNKJM-ZBEGNZNMSA-N 1 0 387.889 2.268 20 0 GEADRO O=C(Nc1nc(CC(F)(F)F)cs1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000836703091 653371518 /nfs/dbraw/zinc/37/15/18/653371518.db2.gz AIUVKOAAHHPDMI-NWDGAFQWSA-N 1 0 378.420 2.311 20 0 GEADRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cncc(Br)c1)CCC2 ZINC000858623171 653371581 /nfs/dbraw/zinc/37/15/81/653371581.db2.gz PMWXLKSGTBBMLG-UHFFFAOYSA-N 1 0 382.283 2.444 20 0 GEADRO C[C@H](CNC(=O)c1cc(Br)c2ncc(C=O)n2c1)C[NH+]1CCCC1 ZINC000858626570 653371954 /nfs/dbraw/zinc/37/19/54/653371954.db2.gz HMWIIMTWBRAZMG-GFCCVEGCSA-N 1 0 393.285 2.371 20 0 GEADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000858643701 653373339 /nfs/dbraw/zinc/37/33/39/653373339.db2.gz HIDPUDCMQVYXGI-GFCCVEGCSA-N 1 0 394.324 2.168 20 0 GEADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000858643390 653373346 /nfs/dbraw/zinc/37/33/46/653373346.db2.gz ZINMEKPCDQIDAY-SSDOTTSWSA-N 1 0 375.210 2.436 20 0 GEADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1nc(C(F)(F)F)cs1 ZINC000875541469 653375833 /nfs/dbraw/zinc/37/58/33/653375833.db2.gz HFGHHPUVQJTWTK-ZJUUUORDSA-N 1 0 380.436 2.367 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000836765914 653376491 /nfs/dbraw/zinc/37/64/91/653376491.db2.gz HEXCPGMPNYUVGF-LBPRGKRZSA-N 1 0 385.306 2.461 20 0 GEADRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2csc(CS(C)(=O)=O)n2)C1 ZINC000776824478 653378811 /nfs/dbraw/zinc/37/88/11/653378811.db2.gz WVBWJMYMHLDZGT-QWHCGFSZSA-N 1 0 389.543 2.034 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c2ccsc2S1(=O)=O ZINC000875609567 653379846 /nfs/dbraw/zinc/37/98/46/653379846.db2.gz LJFRCGGRPMLSEW-NEBZKDRISA-N 1 0 383.539 2.091 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000858877377 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380.579 2.330 20 0 GEADRO O=S(=O)(c1ccc(Br)nc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000859009302 653393089 /nfs/dbraw/zinc/39/30/89/653393089.db2.gz FMDLILIKETXEMJ-NSHDSACASA-N 1 0 392.294 2.090 20 0 GEADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000837006640 653394167 /nfs/dbraw/zinc/39/41/67/653394167.db2.gz FYMWAKAWFMKJJK-CYBMUJFWSA-N 1 0 387.933 2.147 20 0 GEADRO Cn1nnc(Br)c1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000811474090 653394377 /nfs/dbraw/zinc/39/43/77/653394377.db2.gz TVGFYUIPEXPAHT-LLVKDONJSA-N 1 0 380.246 2.215 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)N1CCCN(C=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000875871166 653395106 /nfs/dbraw/zinc/39/51/06/653395106.db2.gz HXBNEYYZRDLGKF-MRXNPFEDSA-N 1 0 387.311 2.470 20 0 GEADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859046328 653397054 /nfs/dbraw/zinc/39/70/54/653397054.db2.gz FTSVFIUDTZMUJA-UHFFFAOYSA-N 1 0 381.420 2.198 20 0 GEADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1sccc1S(=O)(=O)C(F)F ZINC000837043444 653397583 /nfs/dbraw/zinc/39/75/83/653397583.db2.gz LJDFZFZDMRBAEP-UHFFFAOYSA-N 1 0 378.466 2.491 20 0 GEADRO COc1cc(C)nc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000777435531 653398304 /nfs/dbraw/zinc/39/83/04/653398304.db2.gz HIOJQYVJJNQIQT-UHFFFAOYSA-N 1 0 381.420 2.050 20 0 GEADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000811601100 653398906 /nfs/dbraw/zinc/39/89/06/653398906.db2.gz NKMKZGCPIAQQOK-LBPRGKRZSA-N 1 0 380.290 2.488 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000777509353 653400039 /nfs/dbraw/zinc/40/00/39/653400039.db2.gz VOVXRTKNYRIRIK-GJZGRUSLSA-N 1 0 398.301 2.120 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000777848761 653409278 /nfs/dbraw/zinc/40/92/78/653409278.db2.gz SJASVVYWHODQIX-NSHDSACASA-N 1 0 395.294 2.359 20 0 GEADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)Cc2cccs2)n1 ZINC000876316573 653422383 /nfs/dbraw/zinc/42/23/83/653422383.db2.gz FPVWIEFSHFZHJT-UHFFFAOYSA-N 1 0 381.523 2.448 20 0 GEADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)[C@H]2CCCCS2)n1 ZINC000876316997 653422834 /nfs/dbraw/zinc/42/28/34/653422834.db2.gz OVSKPIQPWGWLSV-CQSZACIVSA-N 1 0 385.555 2.429 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Br)cnc1F ZINC000859225494 653426057 /nfs/dbraw/zinc/42/60/57/653426057.db2.gz JEYBVTBUBICPDO-UHFFFAOYSA-N 1 0 376.270 2.414 20 0 GEADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc(C)sc1Br ZINC000876472697 653431213 /nfs/dbraw/zinc/43/12/13/653431213.db2.gz HYDPFIOKXUZZQB-HNNXBMFYSA-N 1 0 391.331 2.238 20 0 GEADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000876472240 653431288 /nfs/dbraw/zinc/43/12/88/653431288.db2.gz IRCHETSDGUUVHM-MRXNPFEDSA-N 1 0 389.265 2.007 20 0 GEADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc2c(ccnc2Cl)s1 ZINC000876477401 653431697 /nfs/dbraw/zinc/43/16/97/653431697.db2.gz WWZADYKFOOQLGY-KRWDZBQOSA-N 1 0 383.901 2.369 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)/C=C\c2ccsc2C(F)(F)F)C1 ZINC000876517258 653433772 /nfs/dbraw/zinc/43/37/72/653433772.db2.gz LMMBNOOMFODJDF-VSQXVHSFSA-N 1 0 375.416 2.094 20 0 GEADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Br)cnc1F ZINC000876520960 653434059 /nfs/dbraw/zinc/43/40/59/653434059.db2.gz ZQSXGHPWDFWWSC-UHFFFAOYSA-N 1 0 380.221 2.040 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)ccc1Cl ZINC000876552149 653435033 /nfs/dbraw/zinc/43/50/33/653435033.db2.gz LACFGEKQCYFQDX-NHYWBVRUSA-N 1 0 391.896 2.257 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876556898 653435047 /nfs/dbraw/zinc/43/50/47/653435047.db2.gz DKTUCJDKRLPWLE-ABAIWWIYSA-N 1 0 386.265 2.102 20 0 GEADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876554809 653435115 /nfs/dbraw/zinc/43/51/15/653435115.db2.gz UCSVJPURBAXJDU-ABAIWWIYSA-N 1 0 389.880 2.011 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876556959 653435514 /nfs/dbraw/zinc/43/55/14/653435514.db2.gz ZBVSDGOBEHQTBH-MMQHEFTJSA-N 1 0 380.286 2.402 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876557002 653435589 /nfs/dbraw/zinc/43/55/89/653435589.db2.gz DKTUCJDKRLPWLE-IAQYHMDHSA-N 1 0 386.265 2.102 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1(F)F ZINC000876581070 653436618 /nfs/dbraw/zinc/43/66/18/653436618.db2.gz YKYCTXKEKLBAMG-DGCLKSJQSA-N 1 0 392.233 2.118 20 0 GEADRO O=C(CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)Nc1ccc(Br)cc1 ZINC000876606883 653437552 /nfs/dbraw/zinc/43/75/52/653437552.db2.gz MHGMTUYJFFNOED-PBHICJAKSA-N 1 0 380.286 2.426 20 0 GEADRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000876641204 653440717 /nfs/dbraw/zinc/44/07/17/653440717.db2.gz KTBURYWJEHQFMC-NWDGAFQWSA-N 1 0 378.274 2.224 20 0 GEADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876641231 653440752 /nfs/dbraw/zinc/44/07/52/653440752.db2.gz LSTORHPTAXQLLQ-DYVFJYSZSA-N 1 0 390.285 2.383 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)c(F)cc1F ZINC000876640350 653440781 /nfs/dbraw/zinc/44/07/81/653440781.db2.gz RNYGQHOPKKTFTI-YMTOWFKASA-N 1 0 379.404 2.003 20 0 GEADRO CS[C@@H]1CN(C(=O)c2c(Br)nc3n2CCCC3)C[C@H]1[NH+](C)C ZINC000837498023 653443850 /nfs/dbraw/zinc/44/38/50/653443850.db2.gz SOJPMBXXRHSQDS-GHMZBOCLSA-N 1 0 387.347 2.100 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1(F)F ZINC000876732786 653444817 /nfs/dbraw/zinc/44/48/17/653444817.db2.gz GKTONBZFYJWYPK-LERXQTSPSA-N 1 0 388.256 2.232 20 0 GEADRO CON(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000812872763 653445352 /nfs/dbraw/zinc/44/53/52/653445352.db2.gz XSWDZYXVSJKTEG-AWEZNQCLSA-N 1 0 391.295 2.465 20 0 GEADRO COC(=O)c1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000876767457 653446842 /nfs/dbraw/zinc/44/68/42/653446842.db2.gz KAPWYGZBPDIYMD-HNNXBMFYSA-N 1 0 397.313 2.390 20 0 GEADRO O=C([C@H]1OCCO[C@H]1C(F)(F)F)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000876840815 653450368 /nfs/dbraw/zinc/45/03/68/653450368.db2.gz XZZFWZNEAGNOPQ-HZSPNIEDSA-N 1 0 378.778 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653460712 /nfs/dbraw/zinc/46/07/12/653460712.db2.gz NHGJUGLMAHRRGN-ZIAGYGMSSA-N 1 0 383.286 2.189 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OC[C@]2(C)CC2(Cl)Cl)CC1=O ZINC000837683679 653461009 /nfs/dbraw/zinc/46/10/09/653461009.db2.gz VXYYTFJJADAGGN-IOASZLSFSA-N 1 0 377.312 2.446 20 0 GEADRO COC(=O)[C@@]1(NC(=O)C[C@@H]([NH3+])C2CC2)CCc2cc(Br)ccc2C1 ZINC000877023565 653461594 /nfs/dbraw/zinc/46/15/94/653461594.db2.gz WPNJVPJTWWOPGH-CRAIPNDOSA-N 1 0 395.297 2.093 20 0 GEADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031127 653462176 /nfs/dbraw/zinc/46/21/76/653462176.db2.gz QVXHBGAWSGNEFW-IHDKGFMSSA-N 1 0 392.297 2.226 20 0 GEADRO C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000877031012 653462202 /nfs/dbraw/zinc/46/22/02/653462202.db2.gz PBAOGQKCDMSYOX-DZGCQCFKSA-N 1 0 379.302 2.313 20 0 GEADRO CO[C@@H](C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)Cc1ccccc1 ZINC000877037949 653462843 /nfs/dbraw/zinc/46/28/43/653462843.db2.gz DQPAHQWQPSRDLN-MRXNPFEDSA-N 1 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C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CC[NH2+]CC1 ZINC000877253340 653473235 /nfs/dbraw/zinc/47/32/35/653473235.db2.gz UGCNRWRMQLBJKQ-SNVBAGLBSA-N 1 0 378.270 2.409 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877270969 653474039 /nfs/dbraw/zinc/47/40/39/653474039.db2.gz AEYOJOYHVJWSRW-QWHCGFSZSA-N 1 0 386.233 2.266 20 0 GEADRO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284842 653475001 /nfs/dbraw/zinc/47/50/01/653475001.db2.gz PGQGBDYKNIQYDW-DUVNUKRYSA-N 1 0 392.297 2.155 20 0 GEADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285729 653475010 /nfs/dbraw/zinc/47/50/10/653475010.db2.gz XHYDBUNCFIEKOP-OWCLPIDISA-N 1 0 392.297 2.155 20 0 GEADRO CC(C)S(=O)(=O)CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000859574859 653475427 /nfs/dbraw/zinc/47/54/27/653475427.db2.gz STTOJLUPROUYIY-MRXNPFEDSA-N 1 0 390.343 2.082 20 0 GEADRO Cc1cc(=O)[nH]c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000859574897 653475607 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[NH3+]C[C@H]1CN(C(=O)CC2CCN(CC(F)(F)F)CC2)C[C@H]1C(F)(F)F ZINC000877354009 653477951 /nfs/dbraw/zinc/47/79/51/653477951.db2.gz ZTLJKPXTJHMZPX-NWDGAFQWSA-N 1 0 375.357 2.246 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000779528333 653479553 /nfs/dbraw/zinc/47/95/53/653479553.db2.gz IALXVHYTUOCFKW-UHFFFAOYSA-N 1 0 385.306 2.137 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cccc(Br)c1 ZINC000877387347 653488757 /nfs/dbraw/zinc/48/87/57/653488757.db2.gz XRXQDBMODXTZKG-YQQAZPJKSA-N 1 0 380.286 2.027 20 0 GEADRO COCCNc1nnc(SC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000634637792 653495407 /nfs/dbraw/zinc/49/54/07/653495407.db2.gz BWZOOGCMNXVPFM-KRWDZBQOSA-N 1 0 380.539 2.326 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877400218 653500071 /nfs/dbraw/zinc/50/00/71/653500071.db2.gz VRWXPUZZPOBRGM-CXAGYDPISA-N 1 0 377.901 2.288 20 0 GEADRO Fc1cccc(C[NH2+]CCN2CCCOCC2)c1I ZINC000877526763 653610609 /nfs/dbraw/zinc/61/06/09/653610609.db2.gz FABIVOGPYGAEQU-UHFFFAOYSA-N 1 0 378.229 2.242 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C(F)(F)F)n1 ZINC000838143430 653611365 /nfs/dbraw/zinc/61/13/65/653611365.db2.gz VNSHNKPKGIPMIW-DOMZBBRYSA-N 1 0 379.448 2.440 20 0 GEADRO O=C(c1ccc(SC(F)(F)F)nc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000859911665 653611918 /nfs/dbraw/zinc/61/19/18/653611918.db2.gz MCTMROFJFWFEGA-GFCCVEGCSA-N 1 0 375.416 2.488 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)cc1Br ZINC000877559118 653612011 /nfs/dbraw/zinc/61/20/11/653612011.db2.gz RMEWZZXSOLVABF-AWEZNQCLSA-N 1 0 385.302 2.172 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)ccc1Br ZINC000813729566 653612975 /nfs/dbraw/zinc/61/29/75/653612975.db2.gz JPUPPKCFLJDEFX-SNVBAGLBSA-N 1 0 377.304 2.128 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1Br ZINC000877579183 653613050 /nfs/dbraw/zinc/61/30/50/653613050.db2.gz NVLFLQBDZVODTM-SWLSCSKDSA-N 1 0 381.270 2.479 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C 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20 0 GEADRO CCC[NH+]1CCC(NC(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)CC1 ZINC000878003507 653625814 /nfs/dbraw/zinc/62/58/14/653625814.db2.gz GEMWROHLHOXECY-CQSZACIVSA-N 1 0 384.571 2.032 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C(C)(C)C)nc2Br)C1 ZINC000780483439 653626652 /nfs/dbraw/zinc/62/66/52/653626652.db2.gz KGBCCJCYDNVXDM-GFCCVEGCSA-N 1 0 387.322 2.241 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878101117 653628742 /nfs/dbraw/zinc/62/87/42/653628742.db2.gz MAXXTQHDAAKYTI-SNPRPXQTSA-N 1 0 384.464 2.232 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878101792 653628764 /nfs/dbraw/zinc/62/87/64/653628764.db2.gz XQZJQBXMCSDBQB-CQSZACIVSA-N 1 0 384.464 2.234 20 0 GEADRO O=C(Nc1ccncc1Br)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000780633399 653630025 /nfs/dbraw/zinc/63/00/25/653630025.db2.gz AQJJYMSIDFEJHN-CYBMUJFWSA-N 1 0 383.290 2.031 20 0 GEADRO C[N@H+](C[C@@H](O)c1cc(Br)no1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000878153381 653630292 /nfs/dbraw/zinc/63/02/92/653630292.db2.gz JSWSCZNDDPXPGR-GHMZBOCLSA-N 1 0 390.278 2.412 20 0 GEADRO C[C@@H](Sc1nc(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cs1)C(N)=O ZINC000878171331 653630507 /nfs/dbraw/zinc/63/05/07/653630507.db2.gz GVTHGVNVCCVRFD-MFKMUULPSA-N 1 0 398.579 2.132 20 0 GEADRO Cn1ncc(Br)c1CC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000878192999 653630934 /nfs/dbraw/zinc/63/09/34/653630934.db2.gz PUVVHMLCZDMAJU-UHFFFAOYSA-N 1 0 391.313 2.290 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000780865597 653633889 /nfs/dbraw/zinc/63/38/89/653633889.db2.gz GPCBFXKQPWDGRF-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)c1 ZINC000780865782 653634182 /nfs/dbraw/zinc/63/41/82/653634182.db2.gz COYHYJZYNZWLAM-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO COC(=O)COc1ccc([C@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)cc1 ZINC000878438044 653637376 /nfs/dbraw/zinc/63/73/76/653637376.db2.gz DZPHCZYZNLWEFW-GWCFXTLKSA-N 1 0 399.241 2.373 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000860893952 653640375 /nfs/dbraw/zinc/64/03/75/653640375.db2.gz AXTPTRYGHLFYLR-OAHLLOKOSA-N 1 0 377.312 2.483 20 0 GEADRO C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000878569778 653641325 /nfs/dbraw/zinc/64/13/25/653641325.db2.gz OXMJKHSYKXCEKZ-MRXNPFEDSA-N 1 0 381.318 2.191 20 0 GEADRO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878611529 653642425 /nfs/dbraw/zinc/64/24/25/653642425.db2.gz QFTJXOKHKQPJCL-AWEZNQCLSA-N 1 0 375.531 2.022 20 0 GEADRO OC[C@@H]([NH2+]C[C@H](O)CC1(O)CCCC1)c1ccc(Br)c(F)c1 ZINC000878645258 653643549 /nfs/dbraw/zinc/64/35/49/653643549.db2.gz JCMPEDJWTBOUEP-IUODEOHRSA-N 1 0 376.266 2.267 20 0 GEADRO O[C@@H](C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)CC1(O)CCCC1 ZINC000878876575 653650386 /nfs/dbraw/zinc/65/03/86/653650386.db2.gz OHMYCFILXHJMSL-HUUCEWRRSA-N 1 0 385.302 2.353 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839470983 653650646 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COc1nc(C)c(Br)cc1C(=O)OC[C@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861348060 653655288 /nfs/dbraw/zinc/65/52/88/653655288.db2.gz MWEGQPCBRZPGGJ-BZNIZROVSA-N 1 0 387.274 2.427 20 0 GEADRO COc1nc(C)c(Br)cc1C(=O)OC[C@@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861348053 653655318 /nfs/dbraw/zinc/65/53/18/653655318.db2.gz MWEGQPCBRZPGGJ-BDJLRTHQSA-N 1 0 387.274 2.427 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCc2ccccc2Br)C1 ZINC000879065198 653657382 /nfs/dbraw/zinc/65/73/82/653657382.db2.gz CMMUCAKTECPTGZ-CYBMUJFWSA-N 1 0 375.332 2.253 20 0 GEADRO CC(C)c1ncsc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861513647 653660445 /nfs/dbraw/zinc/66/04/45/653660445.db2.gz KTUQRERMZULQNN-ZJUUUORDSA-N 1 0 378.420 2.191 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000861542169 653661128 /nfs/dbraw/zinc/66/11/28/653661128.db2.gz MYNRBKVGQDAGGU-VIFPVBQESA-N 1 0 384.267 2.232 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])C2=O)ccc1Br ZINC000861619133 653663319 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C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000861747674 653666325 /nfs/dbraw/zinc/66/63/25/653666325.db2.gz HGTZNYXLEOSXKB-ZDUSSCGKSA-N 1 0 396.329 2.183 20 0 GEADRO CCc1cc(Cl)cnc1NC(=O)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000861867532 653669449 /nfs/dbraw/zinc/66/94/49/653669449.db2.gz ZKXOADWUNMKACR-UHFFFAOYSA-N 1 0 384.933 2.180 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(OC(F)F)c(Br)c1 ZINC000879545092 653672155 /nfs/dbraw/zinc/67/21/55/653672155.db2.gz UMUPPIDZTAFCMF-HNNXBMFYSA-N 1 0 395.244 2.483 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)/C=C\c2csc(C(F)(F)F)c2)CC[N@H+](C)C1 ZINC000861990101 653672606 /nfs/dbraw/zinc/67/26/06/653672606.db2.gz VHHUNIPOZINQPZ-MVZIDQBPSA-N 1 0 376.400 2.343 20 0 GEADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000783044433 653673946 /nfs/dbraw/zinc/67/39/46/653673946.db2.gz LWYVRFIOFBOCJG-UHFFFAOYSA-N 1 0 391.697 2.155 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000862101651 653675712 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CC(C)[NH+]1CCC(N2CCN(Cc3cn(C)nc3Br)CC2)CC1 ZINC000862250197 653681782 /nfs/dbraw/zinc/68/17/82/653681782.db2.gz GMTYNHQLXBTTET-UHFFFAOYSA-N 1 0 384.366 2.173 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)C1(S(C)(=O)=O)CC1 ZINC000862365688 653684311 /nfs/dbraw/zinc/68/43/11/653684311.db2.gz WRKKHPUYAITYJV-NWDGAFQWSA-N 1 0 382.473 2.186 20 0 GEADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000840455401 653686062 /nfs/dbraw/zinc/68/60/62/653686062.db2.gz ZNENZJCWNAHRIA-CYBMUJFWSA-N 1 0 379.810 2.259 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc(Br)nn1C ZINC000816640952 653689552 /nfs/dbraw/zinc/68/95/52/653689552.db2.gz CMLWBONQIOBKBW-UHFFFAOYSA-N 1 0 380.290 2.172 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC000840719369 653691901 /nfs/dbraw/zinc/69/19/01/653691901.db2.gz IFZKFASJNPVPHF-GFCCVEGCSA-N 1 0 388.306 2.456 20 0 GEADRO CC(=O)OC1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000784341435 653692041 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NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880204660 653700492 /nfs/dbraw/zinc/70/04/92/653700492.db2.gz ZSZHQSSEXQKNGL-IAGOWNOFSA-N 1 0 396.329 2.209 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)NC(C)(C)C[NH+]2CCCC2)cs1)C(N)=O ZINC000880251573 653701852 /nfs/dbraw/zinc/70/18/52/653701852.db2.gz OXEHHOQIILKSCE-CYBMUJFWSA-N 1 0 384.571 2.032 20 0 GEADRO CC(=O)N1C[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(Br)c3)C[C@@H]2C1 ZINC000880312327 653703224 /nfs/dbraw/zinc/70/32/24/653703224.db2.gz YWLAUTWQYWJYCI-OKILXGFUSA-N 1 0 380.286 2.188 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(Cl)n1 ZINC000840951811 653703395 /nfs/dbraw/zinc/70/33/95/653703395.db2.gz BRSILJJUERNAJF-HNNXBMFYSA-N 1 0 387.933 2.309 20 0 GEADRO CC[C@H]([NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)[C@@H](O)C(C)C ZINC000840967395 653704201 /nfs/dbraw/zinc/70/42/01/653704201.db2.gz MISCNEYVXGFMTD-SNPRPXQTSA-N 1 0 377.938 2.090 20 0 GEADRO CS(=O)(=O)CCSc1cc(Br)ccc1CN[C@@H]1CC[NH2+]C1 ZINC000841045319 653705514 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COCCN(CC[NH+](C)C)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841389609 653714842 /nfs/dbraw/zinc/71/48/42/653714842.db2.gz BYIRTUYNUIZWEM-UHFFFAOYSA-N 1 0 397.269 2.206 20 0 GEADRO COc1cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cnc1Br ZINC000785831462 653715735 /nfs/dbraw/zinc/71/57/35/653715735.db2.gz MSMOKEVMRJEONJ-GFCCVEGCSA-N 1 0 398.301 2.178 20 0 GEADRO COC(=O)C1=CC[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000863570406 653715815 /nfs/dbraw/zinc/71/58/15/653715815.db2.gz GNRKLMKJMKJPKJ-UONOGXRCSA-N 1 0 388.233 2.179 20 0 GEADRO CCOC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000863577298 653715962 /nfs/dbraw/zinc/71/59/62/653715962.db2.gz WRCQJNDUSCVIIJ-HUUCEWRRSA-N 1 0 384.270 2.430 20 0 GEADRO C[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000841457920 653717883 /nfs/dbraw/zinc/71/78/83/653717883.db2.gz XBHUJKOHUDJGIL-WQGACYEGSA-N 1 0 375.296 2.330 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c(F)cc1Cl ZINC000841477325 653718858 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O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000818002617 653723548 /nfs/dbraw/zinc/72/35/48/653723548.db2.gz ABXXHQHGIARXRX-JCYILVPMSA-N 1 0 386.323 2.359 20 0 GEADRO C[C@H]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000818007815 653723700 /nfs/dbraw/zinc/72/37/00/653723700.db2.gz AGZSWJBAOCNPES-WCQYABFASA-N 1 0 379.917 2.331 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)c2cn(-c3ccccc3Br)nn2)C[C@@H]1C[NH3+] ZINC000818023212 653724046 /nfs/dbraw/zinc/72/40/46/653724046.db2.gz IAQIEAZTCZLQIX-AGIUHOORSA-N 1 0 392.301 2.475 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cnc3Cl)[C@H]2C1 ZINC000818033481 653724216 /nfs/dbraw/zinc/72/42/16/653724216.db2.gz IGZPLOQJXBHZHA-QWHCGFSZSA-N 1 0 388.693 2.433 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000818025252 653724250 /nfs/dbraw/zinc/72/42/50/653724250.db2.gz ZYOKBRJEZMTFFA-NTZNESFSSA-N 1 0 378.416 2.426 20 0 GEADRO CCC(C)(C)[NH+]1CCN(Cc2c(I)cnn2C)CC1 ZINC000864049301 653724583 /nfs/dbraw/zinc/72/45/83/653724583.db2.gz DNSNQWCMEXCRCU-UHFFFAOYSA-N 1 0 376.286 2.331 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3scnc32)C[C@@H]1[NH+]1CCCC1 ZINC000841515731 653724925 /nfs/dbraw/zinc/72/49/25/653724925.db2.gz NRVMFSCPAODTLO-GXTWGEPZSA-N 1 0 383.564 2.497 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000864053099 653724967 /nfs/dbraw/zinc/72/49/67/653724967.db2.gz RZDYABGCAWSNLG-UONOGXRCSA-N 1 0 375.254 2.462 20 0 GEADRO COc1ccc(Cn2cc(CC[C@H](O)C[NH3+])nn2)cc1SC(F)(F)F ZINC000881313537 653726805 /nfs/dbraw/zinc/72/68/05/653726805.db2.gz NJRNJBYAJWGTDA-LBPRGKRZSA-N 1 0 376.404 2.199 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c(F)cc1Cl ZINC000841546318 653731007 /nfs/dbraw/zinc/73/10/07/653731007.db2.gz LUQSRTFKVBJBEX-LLVKDONJSA-N 1 0 392.880 2.276 20 0 GEADRO CCn1ncc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1Br ZINC000881470082 653732148 /nfs/dbraw/zinc/73/21/48/653732148.db2.gz RJHWGAZIUDCSCG-ZDUSSCGKSA-N 1 0 385.306 2.039 20 0 GEADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881470186 653732177 /nfs/dbraw/zinc/73/21/77/653732177.db2.gz OIQOYDRRIXHWHE-CYBMUJFWSA-N 1 0 397.317 2.423 20 0 GEADRO O=C(c1c(F)cncc1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881478401 653732402 /nfs/dbraw/zinc/73/24/02/653732402.db2.gz PRKCFPDPXRZRQR-GFCCVEGCSA-N 1 0 386.265 2.356 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+]CC2(C)C)c1 ZINC000818524418 653732484 /nfs/dbraw/zinc/73/24/84/653732484.db2.gz KMIKMILPJXOZMO-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO CN(CCC[NH3+])C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000818522249 653732586 /nfs/dbraw/zinc/73/25/86/653732586.db2.gz DEAPXZKHVREISI-UHFFFAOYSA-N 1 0 387.933 2.326 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCC2CC[NH2+]CC2)ccc1Cl ZINC000818559442 653733487 /nfs/dbraw/zinc/73/34/87/653733487.db2.gz DNNXFLARZDWUFW-UHFFFAOYSA-N 1 0 387.933 2.146 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1Cl ZINC000818563026 653733609 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GEADRO C[NH+](C)CCn1nccc1NC(=O)COc1ccc(C=O)cc1Br ZINC000818938587 653738821 /nfs/dbraw/zinc/73/88/21/653738821.db2.gz XGOFWXDSDFZBPI-UHFFFAOYSA-N 1 0 395.257 2.037 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000818948317 653738969 /nfs/dbraw/zinc/73/89/69/653738969.db2.gz PIQMPGOERSAUGK-INIZCTEOSA-N 1 0 399.310 2.051 20 0 GEADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)s1 ZINC000818948928 653738974 /nfs/dbraw/zinc/73/89/74/653738974.db2.gz UYOVUUATFJPSSL-ZDUSSCGKSA-N 1 0 378.878 2.272 20 0 GEADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000818958137 653739450 /nfs/dbraw/zinc/73/94/50/653739450.db2.gz KJTUNZDOFKLENL-KRWDZBQOSA-N 1 0 386.876 2.222 20 0 GEADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818997791 653740435 /nfs/dbraw/zinc/74/04/35/653740435.db2.gz LDHUXFQXQOAGCD-DLBZAZTESA-N 1 0 398.345 2.015 20 0 GEADRO C[C@](O)(C[NH2+]C[C@@H]1CCCNC1=O)c1ccc(Br)cc1Cl ZINC000819040446 653741258 /nfs/dbraw/zinc/74/12/58/653741258.db2.gz YRICCYGTOQFIFF-BONVTDFDSA-N 1 0 375.694 2.426 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]C[C@@H](O)c2ccccc2F)CC1)C(F)(F)F ZINC000819055096 653741702 /nfs/dbraw/zinc/74/17/02/653741702.db2.gz OLKBRPCZILBZSU-CQSZACIVSA-N 1 0 384.395 2.010 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]C[C@H](O)c2ccccc2F)CC1)C(F)(F)F ZINC000819055095 653741765 /nfs/dbraw/zinc/74/17/65/653741765.db2.gz OLKBRPCZILBZSU-AWEZNQCLSA-N 1 0 384.395 2.010 20 0 GEADRO [NH3+]CCc1ccc(CNC(=O)NCCCn2cc(Br)cn2)cc1 ZINC000841906474 653742308 /nfs/dbraw/zinc/74/23/08/653742308.db2.gz QSQVHXWGDVXXDP-UHFFFAOYSA-N 1 0 380.290 2.036 20 0 GEADRO O=S(=O)(CC[C@H]1CC1(Cl)Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000881844033 653742596 /nfs/dbraw/zinc/74/25/96/653742596.db2.gz QHEZXLUIMDJQKN-HNNXBMFYSA-N 1 0 399.384 2.334 20 0 GEADRO C[C@]1(CCNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1(Cl)Cl ZINC000841912597 653742616 /nfs/dbraw/zinc/74/26/16/653742616.db2.gz MPWHEWZSDJLLFZ-OCCSQVGLSA-N 1 0 375.304 2.057 20 0 GEADRO [NH3+]CCc1ccc(CNC(=O)NC[C@@H](O)c2ccccc2Br)cc1 ZINC000841930368 653742760 /nfs/dbraw/zinc/74/27/60/653742760.db2.gz IAYLJFKUTMMCPX-QGZVFWFLSA-N 1 0 392.297 2.483 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(Br)c1 ZINC000841975669 653742918 /nfs/dbraw/zinc/74/29/18/653742918.db2.gz IVGNFFJLZYXJIY-YGRLFVJLSA-N 1 0 384.274 2.033 20 0 GEADRO O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000842010649 653743717 /nfs/dbraw/zinc/74/37/17/653743717.db2.gz KLTHMJTWKMPALA-WFASDCNBSA-N 1 0 376.284 2.095 20 0 GEADRO CCS(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000819164179 653744782 /nfs/dbraw/zinc/74/47/82/653744782.db2.gz PROKHZHBJLMNCV-UHFFFAOYSA-N 1 0 389.359 2.438 20 0 GEADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819171127 653744933 /nfs/dbraw/zinc/74/49/33/653744933.db2.gz FETOUJWDVZZQEO-UONOGXRCSA-N 1 0 391.331 2.214 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccccc1F)c1ccc(Cl)s1 ZINC000819184717 653745638 /nfs/dbraw/zinc/74/56/38/653745638.db2.gz DLSIFBZRDNYWNR-LBPRGKRZSA-N 1 0 378.878 2.142 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccs1 ZINC000819183202 653745653 /nfs/dbraw/zinc/74/56/53/653745653.db2.gz MIGSLOVMJDKXIW-ZDUSSCGKSA-N 1 0 394.440 2.368 20 0 GEADRO O=S1(=O)CCC(CC[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819199592 653746029 /nfs/dbraw/zinc/74/60/29/653746029.db2.gz LAQDXVJZNCRLPT-OAHLLOKOSA-N 1 0 376.316 2.287 20 0 GEADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000819213597 653746369 /nfs/dbraw/zinc/74/63/69/653746369.db2.gz URQIHOUVKXWEQW-MRXNPFEDSA-N 1 0 376.469 2.038 20 0 GEADRO COc1cc(CS(=O)(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)sn1 ZINC000881880979 653746687 /nfs/dbraw/zinc/74/66/87/653746687.db2.gz WGPHFKYTIFKEAI-UHFFFAOYSA-N 1 0 385.511 2.058 20 0 GEADRO Cn1nccc1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000819233249 653746720 /nfs/dbraw/zinc/74/67/20/653746720.db2.gz KUZBMJYDHJRGBN-CYBMUJFWSA-N 1 0 388.693 2.408 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819225654 653746770 /nfs/dbraw/zinc/74/67/70/653746770.db2.gz FSQIFCJVSWNYIZ-MRXNPFEDSA-N 1 0 378.897 2.164 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000842161901 653746900 /nfs/dbraw/zinc/74/69/00/653746900.db2.gz GNZBUJYPPMLAJT-HSMVNMDESA-N 1 0 375.282 2.009 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819245072 653747221 /nfs/dbraw/zinc/74/72/21/653747221.db2.gz ROTCLKCDHZYXTN-BZUAXINKSA-N 1 0 392.265 2.032 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000864883917 653747736 /nfs/dbraw/zinc/74/77/36/653747736.db2.gz FCHNEHRSYAZVQI-ZACQAIPSSA-N 1 0 394.313 2.369 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccccc1F)c1ccc(Cl)cc1F ZINC000819286404 653747996 /nfs/dbraw/zinc/74/79/96/653747996.db2.gz GVDSELWBXXOLFA-OAHLLOKOSA-N 1 0 390.839 2.220 20 0 GEADRO CN(CC[NH2+]C[C@H](O)c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000819283386 653748010 /nfs/dbraw/zinc/74/80/10/653748010.db2.gz RMNYPBCYKANWMT-KRWDZBQOSA-N 1 0 386.876 2.423 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000819287221 653748194 /nfs/dbraw/zinc/74/81/94/653748194.db2.gz NREKUDUPROKPBL-HNNXBMFYSA-N 1 0 390.839 2.220 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000819290270 653748542 /nfs/dbraw/zinc/74/85/42/653748542.db2.gz XKSGJDPROWZJFX-NILFDRSVSA-N 1 0 380.432 2.046 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000819304330 653748598 /nfs/dbraw/zinc/74/85/98/653748598.db2.gz TWNIMWKTMRHEMW-BBRMVZONSA-N 1 0 384.498 2.221 20 0 GEADRO CC(C)n1ncc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1I ZINC000864940393 653749005 /nfs/dbraw/zinc/74/90/05/653749005.db2.gz RVMOULUEMJRCHR-GFCCVEGCSA-N 1 0 390.269 2.139 20 0 GEADRO C[NH+](C)[C@H]1CCCN(c2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000881909159 653749241 /nfs/dbraw/zinc/74/92/41/653749241.db2.gz USBJFAOVZSACAX-VIFPVBQESA-N 1 0 383.212 2.099 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)c2ccccc2Br)CCC1 ZINC000819374484 653749788 /nfs/dbraw/zinc/74/97/88/653749788.db2.gz FJMXWIOTUXVZLP-AWEZNQCLSA-N 1 0 376.316 2.287 20 0 GEADRO CC(C)(CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)S(C)(=O)=O ZINC000819372260 653749816 /nfs/dbraw/zinc/74/98/16/653749816.db2.gz YOUBSKHDQGXTFV-CYBMUJFWSA-N 1 0 382.295 2.425 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000842278185 653750380 /nfs/dbraw/zinc/75/03/80/653750380.db2.gz WPPXAMMAJPXYFD-CQSZACIVSA-N 1 0 386.949 2.205 20 0 GEADRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cnc1Br ZINC000788133758 653750468 /nfs/dbraw/zinc/75/04/68/653750468.db2.gz DLEMWNYUSVLMCR-UHFFFAOYSA-N 1 0 377.242 2.210 20 0 GEADRO CC[N@H+](CCNC(=O)c1cnn(C(C)C)c1I)C1CC1 ZINC000865152038 653755300 /nfs/dbraw/zinc/75/53/00/653755300.db2.gz YVUOJJFNKAGYGM-UHFFFAOYSA-N 1 0 390.269 2.283 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000865048400 653751970 /nfs/dbraw/zinc/75/19/70/653751970.db2.gz SDRKVSAYTFMQQM-PBHICJAKSA-N 1 0 396.329 2.474 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)cnc2Cl)C1 ZINC000788211039 653752257 /nfs/dbraw/zinc/75/22/57/653752257.db2.gz XOHDNOXHNWCNFN-CQSZACIVSA-N 1 0 376.682 2.026 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)C1 ZINC000881960249 653753127 /nfs/dbraw/zinc/75/31/27/653753127.db2.gz LZBXSXCCTDDAKY-KGLIPLIRSA-N 1 0 387.373 2.333 20 0 GEADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cc(Br)n[nH]1 ZINC000788280594 653753765 /nfs/dbraw/zinc/75/37/65/653753765.db2.gz NCCMYYIHSJIFJO-UHFFFAOYSA-N 1 0 392.301 2.114 20 0 GEADRO O=C(c1ccc(I)cc1O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000865124244 653754525 /nfs/dbraw/zinc/75/45/25/653754525.db2.gz FDHBHKDMKYHWOQ-LBPRGKRZSA-N 1 0 386.233 2.307 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc(Br)cc1C ZINC000788345564 653754606 /nfs/dbraw/zinc/75/46/06/653754606.db2.gz SBMZRPFGMRDUHO-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1I ZINC000865129432 653754880 /nfs/dbraw/zinc/75/48/80/653754880.db2.gz VJQNQXOSZHIRKQ-NSHDSACASA-N 1 0 390.269 2.235 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000865140003 653755059 /nfs/dbraw/zinc/75/50/59/653755059.db2.gz AYRMICDMQZNDBE-HNNXBMFYSA-N 1 0 382.302 2.088 20 0 GEADRO CC(C)n1ncc(C(=O)N(C)CC[NH+]2CCCC2)c1I ZINC000865158615 653755564 /nfs/dbraw/zinc/75/55/64/653755564.db2.gz CLEINQMOZXUJBZ-UHFFFAOYSA-N 1 0 390.269 2.236 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C)CC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000865158870 653755597 /nfs/dbraw/zinc/75/55/97/653755597.db2.gz FUULKWJNDVGLFU-MRXNPFEDSA-N 1 0 382.302 2.181 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(Br)sc1Cl ZINC000865170352 653755921 /nfs/dbraw/zinc/75/59/21/653755921.db2.gz DUQOKOCPOXYYEY-QMMMGPOBSA-N 1 0 382.711 2.400 20 0 GEADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000881998043 653756193 /nfs/dbraw/zinc/75/61/93/653756193.db2.gz AESLZSIYQGHEQO-VHDGCEQUSA-N 1 0 399.384 2.258 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)COc3ccc(C=O)cc3Br)[C@@H]2C1 ZINC000819719316 653756288 /nfs/dbraw/zinc/75/62/88/653756288.db2.gz SJONCDCBIXCGMK-DZGCQCFKSA-N 1 0 381.270 2.193 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C1 ZINC000882001443 653756548 /nfs/dbraw/zinc/75/65/48/653756548.db2.gz PAEPSBREGMLJTC-SWHMAYCHSA-N 1 0 377.576 2.078 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000842478781 653757529 /nfs/dbraw/zinc/75/75/29/653757529.db2.gz JXVBZZIKAWOEGF-ROUUACIJSA-N 1 0 386.945 2.332 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(CCS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000842478816 653757710 /nfs/dbraw/zinc/75/77/10/653757710.db2.gz KUOVZWFMSSFFMV-AEFFLSMTSA-N 1 0 386.945 2.332 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000842480827 653757819 /nfs/dbraw/zinc/75/78/19/653757819.db2.gz AILVFYVZFFQOIU-UKRRQHHQSA-N 1 0 386.901 2.279 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000842482073 653757907 /nfs/dbraw/zinc/75/79/07/653757907.db2.gz XDEVJWCCXSIVHB-JTQLQIEISA-N 1 0 381.267 2.017 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000842483817 653758314 /nfs/dbraw/zinc/75/83/14/653758314.db2.gz QXGOPSYFNVZYPT-JTQLQIEISA-N 1 0 382.711 2.164 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842484943 653758471 /nfs/dbraw/zinc/75/84/71/653758471.db2.gz GAGKQQFOXFGQJJ-CQSZACIVSA-N 1 0 393.278 2.113 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CC2)C1 ZINC000842485087 653758513 /nfs/dbraw/zinc/75/85/13/653758513.db2.gz LIRSCQJBXLQYNW-SMDDNHRTSA-N 1 0 394.324 2.295 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)cc1Cl ZINC000842486128 653758628 /nfs/dbraw/zinc/75/86/28/653758628.db2.gz SNCYMKQRHDHPMT-VHSXEESVSA-N 1 0 395.308 2.385 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000842486229 653758812 /nfs/dbraw/zinc/75/88/12/653758812.db2.gz VCRLWNMJOXGROM-FZMZJTMJSA-N 1 0 394.324 2.295 20 0 GEADRO CN(C)c1cc(NCc2cn(C[C@H]3CCCO3)nn2)[nH+]cc1Br ZINC000865293101 653759122 /nfs/dbraw/zinc/75/91/22/653759122.db2.gz YPEPWSJMSJJGOR-GFCCVEGCSA-N 1 0 381.278 2.293 20 0 GEADRO O=C([C@H]1CSCCS1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000842514460 653759185 /nfs/dbraw/zinc/75/91/85/653759185.db2.gz MJNMEBCVDSTKBT-QGZVFWFLSA-N 1 0 380.583 2.431 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)C(=O)NCCSC(F)(F)F)[NH+](C)C)cc1 ZINC000788549269 653759420 /nfs/dbraw/zinc/75/94/20/653759420.db2.gz VHNAGFODWHABPQ-CYBMUJFWSA-N 1 0 377.432 2.083 20 0 GEADRO C[NH2+]C[C@H](C)c1noc(CCn2cnc3ccc(Br)cc3c2=O)n1 ZINC000842575542 653759699 /nfs/dbraw/zinc/75/96/99/653759699.db2.gz CMGLJZANPQCAFH-JTQLQIEISA-N 1 0 392.257 2.108 20 0 GEADRO C[NH2+]C[C@@H](C)c1noc([C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)n1 ZINC000842577102 653759700 /nfs/dbraw/zinc/75/97/00/653759700.db2.gz PPXMWCOYNVZGHZ-YPMHNXCESA-N 1 0 384.527 2.331 20 0 GEADRO COCC(C)(C)[NH+]1CCN(CN2Cc3cccc(Br)c3C2=O)CC1 ZINC000819895585 653760748 /nfs/dbraw/zinc/76/07/48/653760748.db2.gz POLRKELFKHDKHQ-UHFFFAOYSA-N 1 0 396.329 2.405 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc(-c2cccn3c(I)cnc23)n1 ZINC000842631391 653761330 /nfs/dbraw/zinc/76/13/30/653761330.db2.gz FCTYCULWRKHLIY-QMMMGPOBSA-N 1 0 383.193 2.139 20 0 GEADRO CON(C)S(=O)(=O)c1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)ccc1Cl ZINC000842663875 653762156 /nfs/dbraw/zinc/76/21/56/653762156.db2.gz MMEVUJCTYXFRMW-LLVKDONJSA-N 1 0 386.861 2.039 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)[C@H](O)c1c(F)cccc1Cl ZINC000842687459 653762965 /nfs/dbraw/zinc/76/29/65/653762965.db2.gz ZIQCIIPWHMJLRL-ABKXIKBNSA-N 1 0 390.839 2.477 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000842698047 653763350 /nfs/dbraw/zinc/76/33/50/653763350.db2.gz AMULSDGVDVPDCY-CMPLNLGQSA-N 1 0 389.315 2.318 20 0 GEADRO COc1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c(Br)c1 ZINC000842703121 653763722 /nfs/dbraw/zinc/76/37/22/653763722.db2.gz SWLYENYRCVZFKR-UHFFFAOYSA-N 1 0 399.310 2.437 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+]Cc3cc(Br)cnc3Cl)CC2)N1 ZINC000842706227 653763922 /nfs/dbraw/zinc/76/39/22/653763922.db2.gz AAMFEQFNALCABE-UHFFFAOYSA-N 1 0 387.665 2.108 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccnc2Br)CC1 ZINC000865413346 653764686 /nfs/dbraw/zinc/76/46/86/653764686.db2.gz DCBQYNQXDOZAFI-UHFFFAOYSA-N 1 0 376.320 2.138 20 0 GEADRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842723640 653764713 /nfs/dbraw/zinc/76/47/13/653764713.db2.gz FNSPUDIWRIHURJ-SECBINFHSA-N 1 0 395.710 2.012 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccncc2Br)CC1 ZINC000865459151 653765884 /nfs/dbraw/zinc/76/58/84/653765884.db2.gz CERUFGFRWSDSOI-UHFFFAOYSA-N 1 0 398.273 2.198 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(c2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865481456 653766437 /nfs/dbraw/zinc/76/64/37/653766437.db2.gz YFFHEKSWVZNTPP-UHFFFAOYSA-N 1 0 390.347 2.407 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CCC1CCS(=O)(=O)CC1)CC(F)F ZINC000865517949 653767451 /nfs/dbraw/zinc/76/74/51/653767451.db2.gz HJQQRIMKCKPZAS-ZDUSSCGKSA-N 1 0 384.489 2.339 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c(C)c1Cl ZINC000842796942 653767865 /nfs/dbraw/zinc/76/78/65/653767865.db2.gz FMPKRRGMVQPYIO-UHFFFAOYSA-N 1 0 378.903 2.045 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)cc(F)c2OC)CC[C@@H]1[NH3+] ZINC000842797374 653768020 /nfs/dbraw/zinc/76/80/20/653768020.db2.gz HNPDBJGYJMSLTD-CABZTGNLSA-N 1 0 395.294 2.345 20 0 GEADRO NS(=O)(=O)c1cc(Br)ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000865550720 653768174 /nfs/dbraw/zinc/76/81/74/653768174.db2.gz HKYUDOCQIGGSHS-GFCCVEGCSA-N 1 0 388.331 2.019 20 0 GEADRO CN(CC[NH2+]Cc1cnc(Cl)c(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000865552693 653768245 /nfs/dbraw/zinc/76/82/45/653768245.db2.gz IEXBEPSDILNOMH-UHFFFAOYSA-N 1 0 375.828 2.424 20 0 GEADRO O=C(c1nccc2c(Br)cccc21)N1CC(CN2CCOCC2)C1 ZINC000820181539 653768309 /nfs/dbraw/zinc/76/83/09/653768309.db2.gz SOIJDEXGKCJIOB-UHFFFAOYSA-N 1 0 390.281 2.402 20 0 GEADRO Cc1ccnc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1Br ZINC000865564894 653768647 /nfs/dbraw/zinc/76/86/47/653768647.db2.gz KBTOCMYWHPFJBQ-STQMWFEESA-N 1 0 390.347 2.350 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H]1CCCS(=O)(=O)C1)CC(F)(F)F ZINC000865570875 653768814 /nfs/dbraw/zinc/76/88/14/653768814.db2.gz OWJTXCFAKMINDY-NWDGAFQWSA-N 1 0 388.452 2.247 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000820264851 653770423 /nfs/dbraw/zinc/77/04/23/653770423.db2.gz SQTOYRFFEKCLMG-FZMZJTMJSA-N 1 0 377.238 2.332 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000820264934 653770499 /nfs/dbraw/zinc/77/04/99/653770499.db2.gz ULPYRAJSTPLACB-XEGUGMAKSA-N 1 0 378.270 2.037 20 0 GEADRO COC[C@]1(CNS(=O)(=O)/C=C\c2ccc(Br)cc2)CCC[NH2+]1 ZINC000842860124 653770790 /nfs/dbraw/zinc/77/07/90/653770790.db2.gz ZMBDOCWWDHQRAT-YYRKOSNBSA-N 1 0 389.315 2.108 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000842870952 653771196 /nfs/dbraw/zinc/77/11/96/653771196.db2.gz LENPFAZPPINEHI-AWEZNQCLSA-N 1 0 381.885 2.317 20 0 GEADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000842880122 653771800 /nfs/dbraw/zinc/77/18/00/653771800.db2.gz YPWATQYFQMUDKL-JTQLQIEISA-N 1 0 393.303 2.032 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842890658 653772208 /nfs/dbraw/zinc/77/22/08/653772208.db2.gz QXJBQTXDAZYFSF-LBPRGKRZSA-N 1 0 399.257 2.123 20 0 GEADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NC[C@H]3CC3(Cl)Cl)cccc21 ZINC000789353344 653772196 /nfs/dbraw/zinc/77/21/96/653772196.db2.gz RVWIIDLTDQARRF-MFKMUULPSA-N 1 0 386.279 2.320 20 0 GEADRO CCOc1cc(C[NH2+]C[C@H](O)[C@@H](C)O)cc(Br)c1OC(F)F ZINC000865740639 653773512 /nfs/dbraw/zinc/77/35/12/653773512.db2.gz JUAZEQJSONSVML-KCJUWKMLSA-N 1 0 384.217 2.281 20 0 GEADRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000865740253 653773613 /nfs/dbraw/zinc/77/36/13/653773613.db2.gz FJYDTOQXFVXFQL-WBMJQRKESA-N 1 0 381.270 2.254 20 0 GEADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000842916665 653773608 /nfs/dbraw/zinc/77/36/08/653773608.db2.gz YZFJVUAYNDXLGX-VHSXEESVSA-N 1 0 393.303 2.030 20 0 GEADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000842916663 653773657 /nfs/dbraw/zinc/77/36/57/653773657.db2.gz YZFJVUAYNDXLGX-UWVGGRQHSA-N 1 0 393.303 2.030 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NCCCCCC[NH3+])cc1OC ZINC000842923256 653774232 /nfs/dbraw/zinc/77/42/32/653774232.db2.gz VAOJCIZMQLAKHA-UHFFFAOYSA-N 1 0 395.319 2.264 20 0 GEADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000865773040 653774615 /nfs/dbraw/zinc/77/46/15/653774615.db2.gz ZXCUJTIEWVQRIL-KRWDZBQOSA-N 1 0 386.876 2.210 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)CSc3nc4ccccc4s3)C2)CC1 ZINC000820465749 653775137 /nfs/dbraw/zinc/77/51/37/653775137.db2.gz PPGCRHBLAADNDI-UHFFFAOYSA-N 1 0 376.551 2.094 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000865791491 653775238 /nfs/dbraw/zinc/77/52/38/653775238.db2.gz AYCXMALZDXNKBL-LLVKDONJSA-N 1 0 390.272 2.483 20 0 GEADRO CCn1ncc(C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)c1Br ZINC000820521918 653776012 /nfs/dbraw/zinc/77/60/12/653776012.db2.gz XXZFWJPLXCCVSG-ZDUSSCGKSA-N 1 0 387.322 2.238 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3nc(C(C)C)ncc3Br)[C@H]2C1 ZINC000820587663 653777280 /nfs/dbraw/zinc/77/72/80/653777280.db2.gz GSRKWLRXYCQWPW-UONOGXRCSA-N 1 0 397.317 2.298 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000789570983 653777857 /nfs/dbraw/zinc/77/78/57/653777857.db2.gz IFZICOSFBCVUJP-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO CS(=O)(=O)CCSc1cc(Br)ccc1CN1CC[C@H]([NH3+])C1 ZINC000843047274 653777906 /nfs/dbraw/zinc/77/79/06/653777906.db2.gz PURZLMBWCFAFJP-ZDUSSCGKSA-N 1 0 393.372 2.119 20 0 GEADRO COc1nc(Br)ccc1NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000789597119 653778620 /nfs/dbraw/zinc/77/86/20/653778620.db2.gz YNUIMVMJQSIGOZ-UHFFFAOYSA-N 1 0 399.333 2.061 20 0 GEADRO CC(C)COC[C@@H](O)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000843069848 653778733 /nfs/dbraw/zinc/77/87/33/653778733.db2.gz SVFGOHILVLCANL-XJKSGUPXSA-N 1 0 378.282 2.419 20 0 GEADRO CCOC(=O)C[C@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000843076983 653778794 /nfs/dbraw/zinc/77/87/94/653778794.db2.gz ODYHZGRONCQRPP-ABAIWWIYSA-N 1 0 394.693 2.214 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000843092871 653778923 /nfs/dbraw/zinc/77/89/23/653778923.db2.gz LTTHHKCPJZCKAH-IAGOWNOFSA-N 1 0 387.860 2.239 20 0 GEADRO C[C@](O)(C[NH2+]C[C@@H]1CCCN1CCCO)c1ccc(Br)cc1F ZINC000843086519 653778948 /nfs/dbraw/zinc/77/89/48/653778948.db2.gz GRHHJJAJTTVESX-YOEHRIQHSA-N 1 0 389.309 2.232 20 0 GEADRO O[C@H](C[NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(F)cn1 ZINC000843094696 653779093 /nfs/dbraw/zinc/77/90/93/653779093.db2.gz LHUPGWPNTXAKTF-SWLSCSKDSA-N 1 0 385.233 2.046 20 0 GEADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843103517 653779523 /nfs/dbraw/zinc/77/95/23/653779523.db2.gz AUMKZQRRAZTYRC-KCPJHIHWSA-N 1 0 378.282 2.369 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)C2 ZINC000843111501 653779628 /nfs/dbraw/zinc/77/96/28/653779628.db2.gz FLTOLUOHWDNUKO-ACJLOTCBSA-N 1 0 394.313 2.127 20 0 GEADRO OC[C@H](C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)Cc1cccnc1 ZINC000843112198 653779834 /nfs/dbraw/zinc/77/98/34/653779834.db2.gz XFSHGPIYXJOJOK-GUYCJALGSA-N 1 0 383.261 2.457 20 0 GEADRO CC(C)[C@H]([NH3+])c1noc(CCN2c3ccc(Br)cc3OCC2=O)n1 ZINC000843156408 653780765 /nfs/dbraw/zinc/78/07/65/653780765.db2.gz XQKVZEKUDLJGML-HNNXBMFYSA-N 1 0 395.257 2.456 20 0 GEADRO Cn1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccc(Cl)s2)n1 ZINC000789750702 653780973 /nfs/dbraw/zinc/78/09/73/653780973.db2.gz CREFRVFNLLXZBS-NEPJUHHUSA-N 1 0 380.901 2.395 20 0 GEADRO COc1nc(-c2noc(C[C@H](C)[C@@H]3CCC[NH2+]C3)n2)ncc1Br ZINC000843212308 653781498 /nfs/dbraw/zinc/78/14/98/653781498.db2.gz FDOLBQKHVZSPOP-VHSXEESVSA-N 1 0 382.262 2.476 20 0 GEADRO C[NH2+]C[C@@H](C)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000843223389 653781775 /nfs/dbraw/zinc/78/17/75/653781775.db2.gz CDSUBJWVWIXOOH-MRVPVSSYSA-N 1 0 383.193 2.312 20 0 GEADRO [NH3+][C@H](Cc1nc(-c2ccc3ncc(I)n3c2)no1)C1CC1 ZINC000843224064 653781930 /nfs/dbraw/zinc/78/19/30/653781930.db2.gz JWNJNLDACUXBHT-SNVBAGLBSA-N 1 0 395.204 2.269 20 0 GEADRO O=S(=O)(Cc1noc(C[C@@H]2CSCC[NH2+]2)n1)Cc1ccc(Cl)cc1 ZINC000843238927 653782106 /nfs/dbraw/zinc/78/21/06/653782106.db2.gz AIBVZNIUVUZTBK-CYBMUJFWSA-N 1 0 387.914 2.086 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000820758281 653782140 /nfs/dbraw/zinc/78/21/40/653782140.db2.gz WHDHUOLZTAODLZ-VIFPVBQESA-N 1 0 382.711 2.260 20 0 GEADRO C[NH+]1CCC2(CCN(S(=O)(=O)N=[S@@](C)(=O)C3CCCCC3)CC2)CC1 ZINC000882476028 653783773 /nfs/dbraw/zinc/78/37/73/653783773.db2.gz AXDQHGWOCWSUCN-DEOSSOPVSA-N 1 0 391.603 2.470 20 0 GEADRO CCC1([NH+](C)C)CCN(c2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000866061963 653784892 /nfs/dbraw/zinc/78/48/92/653784892.db2.gz ZKYIKFZYLYIYDG-UHFFFAOYSA-N 1 0 390.347 2.407 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000843356901 653785529 /nfs/dbraw/zinc/78/55/29/653785529.db2.gz GXWVIDYPJODZOK-HZMBPMFUSA-N 1 0 395.253 2.052 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000843356904 653785630 /nfs/dbraw/zinc/78/56/30/653785630.db2.gz GXWVIDYPJODZOK-YGRLFVJLSA-N 1 0 395.253 2.052 20 0 GEADRO C[C@@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000843392794 653785953 /nfs/dbraw/zinc/78/59/53/653785953.db2.gz MSXLEJYDRNSCOQ-NEPJUHHUSA-N 1 0 399.285 2.166 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000843407538 653786353 /nfs/dbraw/zinc/78/63/53/653786353.db2.gz HRCBLOYATXNBOG-HZPDHXFCSA-N 1 0 383.286 2.118 20 0 GEADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)C(=O)c1ccc(Br)cc1 ZINC000843456489 653787384 /nfs/dbraw/zinc/78/73/84/653787384.db2.gz CJDRZHJYKQSYAJ-UHFFFAOYSA-N 1 0 377.242 2.392 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)cnc1C1CC1 ZINC000820989942 653788342 /nfs/dbraw/zinc/78/83/42/653788342.db2.gz FJYGRIVJBHFFLR-AWEZNQCLSA-N 1 0 382.302 2.298 20 0 GEADRO C[NH+](C)CC1CN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000821010285 653788622 /nfs/dbraw/zinc/78/86/22/653788622.db2.gz UETQKQDCFKVDJY-UHFFFAOYSA-N 1 0 377.286 2.328 20 0 GEADRO [NH3+]CCCCCCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000843510290 653788851 /nfs/dbraw/zinc/78/88/51/653788851.db2.gz MCXQMWHCOSEDBI-UHFFFAOYSA-N 1 0 396.285 2.071 20 0 GEADRO O=S(=O)(N1CCC([NH2+][C@@H]2c3ccccc3OC[C@@H]2F)CC1)C(F)(F)F ZINC000866281070 653789762 /nfs/dbraw/zinc/78/97/62/653789762.db2.gz IAUQUMRDUMNYER-GXTWGEPZSA-N 1 0 382.379 2.362 20 0 GEADRO CN(Cc1ccc(Br)o1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790369738 653790185 /nfs/dbraw/zinc/79/01/85/653790185.db2.gz LWZIMLDWQMONQZ-MRXNPFEDSA-N 1 0 384.274 2.348 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000882623899 653791411 /nfs/dbraw/zinc/79/14/11/653791411.db2.gz FSFRPJAUYYRTMW-UHFFFAOYSA-N 1 0 387.933 2.326 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1nccn2c(Br)cnc12 ZINC000790574996 653793433 /nfs/dbraw/zinc/79/34/33/653793433.db2.gz FTLREDGGMXBQPJ-LLVKDONJSA-N 1 0 380.290 2.342 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCc2cc(Br)ccc21 ZINC000843778716 653793684 /nfs/dbraw/zinc/79/36/84/653793684.db2.gz JNRBNYYICFKYPX-UXLLHSPISA-N 1 0 379.298 2.458 20 0 GEADRO CC(C)(C)OC(=O)NC(C)(C)CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000882648795 653794803 /nfs/dbraw/zinc/79/48/03/653794803.db2.gz NKRVHPTWYHDGAT-UHFFFAOYSA-N 1 0 377.551 2.085 20 0 GEADRO CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3ccc(Br)cc3)C[C@@H]2C1 ZINC000821332455 653794955 /nfs/dbraw/zinc/79/49/55/653794955.db2.gz POQPMLDMSPCCDY-BNOWGMLFSA-N 1 0 380.286 2.186 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2ccc(Br)cc2C1 ZINC000790709283 653796065 /nfs/dbraw/zinc/79/60/65/653796065.db2.gz NUSSOEIAUGWSMF-DLBZAZTESA-N 1 0 394.313 2.380 20 0 GEADRO COC(=O)c1ccc(OS(=O)(=O)CC2([NH+](C)C)CC2)c(Br)c1 ZINC000866451841 653796466 /nfs/dbraw/zinc/79/64/66/653796466.db2.gz ZTJDWWZLALBBRR-UHFFFAOYSA-N 1 0 392.271 2.039 20 0 GEADRO C[N@H+](CCn1cnc(Br)n1)C1CCN(CCc2ccccn2)CC1 ZINC000821385329 653796843 /nfs/dbraw/zinc/79/68/43/653796843.db2.gz ASMKBNDSJLJLCR-UHFFFAOYSA-N 1 0 393.333 2.075 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cnn(C)c1Br ZINC000866487803 653798470 /nfs/dbraw/zinc/79/84/70/653798470.db2.gz NIIHJLPBGVQVTD-UHFFFAOYSA-N 1 0 395.367 2.171 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(c3cnn(CC(F)(F)F)c(=O)c3Br)CC[C@H]21 ZINC000882699108 653798645 /nfs/dbraw/zinc/79/86/45/653798645.db2.gz NHFNGEWZDLUQBZ-VHSXEESVSA-N 1 0 395.223 2.099 20 0 GEADRO C[C@@H](CCNC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[NH+](C)C ZINC000821480258 653799595 /nfs/dbraw/zinc/79/95/95/653799595.db2.gz BHNHXMNGLDODHP-LBPRGKRZSA-N 1 0 391.921 2.225 20 0 GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000790878977 653799787 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C[NH+]1CCC2(CC1)CN(C(=O)c1sc(N3CCCC3)nc1Cl)CCO2 ZINC000844098135 653801335 /nfs/dbraw/zinc/80/13/35/653801335.db2.gz YSCZUUOLOODMRV-UHFFFAOYSA-N 1 0 384.933 2.334 20 0 GEADRO C[C@@H]1[C@H](C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1C ZINC000882735931 653801823 /nfs/dbraw/zinc/80/18/23/653801823.db2.gz YWRRINQJEOYYSJ-YVLXSGLVSA-N 1 0 380.286 2.159 20 0 GEADRO Cn1c2ccc(S(=O)(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2sc1=O ZINC000866554149 653801995 /nfs/dbraw/zinc/80/19/95/653801995.db2.gz PWUMJJLBKKBXJQ-UHFFFAOYSA-N 1 0 383.539 2.141 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000844176941 653802747 /nfs/dbraw/zinc/80/27/47/653802747.db2.gz XCIWEYLCHIOUAC-WMLDXEAASA-N 1 0 396.329 2.160 20 0 GEADRO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(I)cc1 ZINC000866572826 653802869 /nfs/dbraw/zinc/80/28/69/653802869.db2.gz FNRQTYOZCPGZGJ-SNVBAGLBSA-N 1 0 396.294 2.257 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000882768980 653806025 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CC[C@](C[NH2+]Cc1nc(Br)nn1C)(C(=O)OC)c1ccccc1 ZINC000895015995 653812747 /nfs/dbraw/zinc/81/27/47/653812747.db2.gz KIXLICXCAXVVBB-MRXNPFEDSA-N 1 0 381.274 2.188 20 0 GEADRO COC(=O)[C@H]1CSCC[N@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000895015361 653812833 /nfs/dbraw/zinc/81/28/33/653812833.db2.gz FOVJFUNIYCGOJF-VXGBXAGGSA-N 1 0 382.473 2.373 20 0 GEADRO O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1cccc(I)c1 ZINC000866721373 653815296 /nfs/dbraw/zinc/81/52/96/653815296.db2.gz VQIQSFWBYYBTMH-KGLIPLIRSA-N 1 0 385.249 2.056 20 0 GEADRO O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)Nc1ccc(I)cc1 ZINC000866720654 653815378 /nfs/dbraw/zinc/81/53/78/653815378.db2.gz NCOBWQGGDOKIEU-ZIAGYGMSSA-N 1 0 385.249 2.056 20 0 GEADRO Cn1nc2c(c1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1)CSCC2 ZINC000882879212 653816586 /nfs/dbraw/zinc/81/65/86/653816586.db2.gz MMOBOSDURRALPN-KRWDZBQOSA-N 1 0 378.567 2.434 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2nc(C)ccc2Br)CC1 ZINC000822046299 653817040 /nfs/dbraw/zinc/81/70/40/653817040.db2.gz DQGALYKRHWFQLB-UHFFFAOYSA-N 1 0 383.334 2.298 20 0 GEADRO C[C@H]([NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000895100320 653818139 /nfs/dbraw/zinc/81/81/39/653818139.db2.gz AAPZARVJODAMJV-WHOFXGATSA-N 1 0 381.416 2.422 20 0 GEADRO C[N@H+](CCNc1ncc(Br)cc1C(F)(F)F)CCOCCO ZINC000882951134 653819226 /nfs/dbraw/zinc/81/92/26/653819226.db2.gz PYTKNSIWOYDFGG-UHFFFAOYSA-N 1 0 386.212 2.216 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000822156682 653819593 /nfs/dbraw/zinc/81/95/93/653819593.db2.gz WBNODPFNCTVQOV-KBPBESRZSA-N 1 0 376.400 2.337 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C[C@H]1c1ccccc1 ZINC000866762564 653821045 /nfs/dbraw/zinc/82/10/45/653821045.db2.gz VLAHXBIEERYEIK-NWDGAFQWSA-N 1 0 394.909 2.460 20 0 GEADRO COCC1(CNS(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC[NH2+]CC1 ZINC000866763189 653821115 /nfs/dbraw/zinc/82/11/15/653821115.db2.gz IXCILOKEQCJDPI-UHFFFAOYSA-N 1 0 383.901 2.183 20 0 GEADRO COC(=O)[C@@]1(O)CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000883000523 653821623 /nfs/dbraw/zinc/82/16/23/653821623.db2.gz DPRYTDTXCPOTAR-MRXNPFEDSA-N 1 0 381.226 2.120 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000866768441 653822245 /nfs/dbraw/zinc/82/22/45/653822245.db2.gz UHHLGWNRCOMREG-LLVKDONJSA-N 1 0 377.304 2.019 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1(Cl)Cl ZINC000866771918 653823011 /nfs/dbraw/zinc/82/30/11/653823011.db2.gz LSBWJWKXJAVBFU-HZSPNIEDSA-N 1 0 385.357 2.118 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2csc(I)n2)CCCC1 ZINC000822316836 653823108 /nfs/dbraw/zinc/82/31/08/653823108.db2.gz LFTYDKKADZLIMB-UHFFFAOYSA-N 1 0 379.267 2.352 20 0 GEADRO C[C@@H](Nc1ccnc(-c2ccc(Br)cc2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000895246741 653824727 /nfs/dbraw/zinc/82/47/27/653824727.db2.gz DEBHOTZXQUNPTM-CZUORRHYSA-N 1 0 390.329 2.374 20 0 GEADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000866781012 653824784 /nfs/dbraw/zinc/82/47/84/653824784.db2.gz KUIZIHXTGWDUAO-ZDUSSCGKSA-N 1 0 394.324 2.168 20 0 GEADRO Cn1nc2c(c1C[NH2+]C[C@H](Cc1ccccc1Cl)C(N)=O)CSCC2 ZINC000883083885 653825171 /nfs/dbraw/zinc/82/51/71/653825171.db2.gz BEDKYXWZEKOQDN-ZDUSSCGKSA-N 1 0 378.929 2.297 20 0 GEADRO O=C(NCCc1cccc(Br)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895292019 653826230 /nfs/dbraw/zinc/82/62/30/653826230.db2.gz QXOVKWNVRIGPPD-SJORKVTESA-N 1 0 396.329 2.232 20 0 GEADRO O=S(=O)(C[C@@H]1CCCC(F)(F)C1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000866792041 653827119 /nfs/dbraw/zinc/82/71/19/653827119.db2.gz RGJYWWNTTLRKOG-GDBMZVCRSA-N 1 0 380.501 2.375 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)C1 ZINC000866794377 653827392 /nfs/dbraw/zinc/82/73/92/653827392.db2.gz PEIRGIARWFVAOZ-INIZCTEOSA-N 1 0 389.924 2.021 20 0 GEADRO Cn1cc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c(I)n1 ZINC000895359755 653829830 /nfs/dbraw/zinc/82/98/30/653829830.db2.gz IBHJPZGSOARSJU-ZDUSSCGKSA-N 1 0 388.297 2.236 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C1 ZINC000866806470 653829885 /nfs/dbraw/zinc/82/98/85/653829885.db2.gz MWNWUVYMNKDHCX-VHDGCEQUSA-N 1 0 388.917 2.304 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000866807317 653830085 /nfs/dbraw/zinc/83/00/85/653830085.db2.gz YVJOMBSWQBJSGR-WKFQBHICSA-N 1 0 387.221 2.484 20 0 GEADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)ccc1F ZINC000866809426 653830362 /nfs/dbraw/zinc/83/03/62/653830362.db2.gz JNLNTYQYYIEIMS-YHPBZONMSA-N 1 0 377.279 2.397 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866810800 653830651 /nfs/dbraw/zinc/83/06/51/653830651.db2.gz VYUZNZLUXXGGJR-LLVKDONJSA-N 1 0 391.331 2.265 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)c(Br)c1 ZINC000866811329 653831028 /nfs/dbraw/zinc/83/10/28/653831028.db2.gz RNAGXUXWDZSUFM-SNVBAGLBSA-N 1 0 377.304 2.124 20 0 GEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984667 653831599 /nfs/dbraw/zinc/83/15/99/653831599.db2.gz NMIFLWCXOUAQDR-UONOGXRCSA-N 1 0 377.360 2.428 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c(I)n1 ZINC000895387363 653831713 /nfs/dbraw/zinc/83/17/13/653831713.db2.gz BZBLCXZNHRYWGP-AWEZNQCLSA-N 1 0 383.233 2.256 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)CCC(C)C ZINC000883187149 653831792 /nfs/dbraw/zinc/83/17/92/653831792.db2.gz HQBNRLPJWTZTPR-UONOGXRCSA-N 1 0 377.938 2.091 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866818997 653832273 /nfs/dbraw/zinc/83/22/73/653832273.db2.gz BGRVATUYOPXAFQ-ONGXEEELSA-N 1 0 394.722 2.260 20 0 GEADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)[C@H]1CCCOC1 ZINC000883205836 653832384 /nfs/dbraw/zinc/83/23/84/653832384.db2.gz DWBFTYSVNXGTKZ-LZWOXQAQSA-N 1 0 388.302 2.220 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000883244927 653832884 /nfs/dbraw/zinc/83/28/84/653832884.db2.gz ZOHZIYJPKJNLFG-KBPBESRZSA-N 1 0 389.949 2.499 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866822113 653832984 /nfs/dbraw/zinc/83/29/84/653832984.db2.gz AADWTYHOHXITJT-AEGPPILISA-N 1 0 388.917 2.269 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866822498 653832991 /nfs/dbraw/zinc/83/29/91/653832991.db2.gz BNBHTJPMNUEJOJ-RYUDHWBXSA-N 1 0 393.278 2.112 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866822493 653833111 /nfs/dbraw/zinc/83/31/11/653833111.db2.gz BNBHTJPMNUEJOJ-NEPJUHHUSA-N 1 0 393.278 2.112 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1Cl ZINC000883253975 653833260 /nfs/dbraw/zinc/83/32/60/653833260.db2.gz HAWCQNOSJQRNOC-CQSZACIVSA-N 1 0 388.917 2.053 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827028 653834021 /nfs/dbraw/zinc/83/40/21/653834021.db2.gz HAPGMXRKNPZZBI-VXGBXAGGSA-N 1 0 393.278 2.112 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866827025 653834030 /nfs/dbraw/zinc/83/40/30/653834030.db2.gz HAPGMXRKNPZZBI-NEPJUHHUSA-N 1 0 393.278 2.112 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866828754 653834298 /nfs/dbraw/zinc/83/42/98/653834298.db2.gz XXOJQTAAJHWMNU-VXGBXAGGSA-N 1 0 381.242 2.242 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(O)(c3scnc3Br)CC2)C1 ZINC000822627745 653834388 /nfs/dbraw/zinc/83/43/88/653834388.db2.gz MQXGAHPQDDGBNJ-NSHDSACASA-N 1 0 388.331 2.057 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cccc(F)c1I ZINC000883296524 653834575 /nfs/dbraw/zinc/83/45/75/653834575.db2.gz OXKRTRHHPODQAE-NSHDSACASA-N 1 0 397.253 2.487 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866830176 653834659 /nfs/dbraw/zinc/83/46/59/653834659.db2.gz BPUQYIYAFLJMNK-OLZOCXBDSA-N 1 0 389.315 2.363 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866829220 653834715 /nfs/dbraw/zinc/83/47/15/653834715.db2.gz ZQEUMXYVADMXBX-ZIAGYGMSSA-N 1 0 388.331 2.030 20 0 GEADRO C[C@H]([NH2+]CCc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000895443907 653834897 /nfs/dbraw/zinc/83/48/97/653834897.db2.gz BSVIABONKYKWAN-AAEUAGOBSA-N 1 0 393.290 2.247 20 0 GEADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc2ccnc(Cl)c2c1 ZINC000866832932 653834969 /nfs/dbraw/zinc/83/49/69/653834969.db2.gz LVULJJOWVSYOAW-UHFFFAOYSA-N 1 0 383.901 2.013 20 0 GEADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ncc(Br)cn1 ZINC000822657209 653835446 /nfs/dbraw/zinc/83/54/46/653835446.db2.gz LFGZXKWSIOPDSJ-UHFFFAOYSA-N 1 0 395.257 2.440 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000895458314 653836107 /nfs/dbraw/zinc/83/61/07/653836107.db2.gz XHDZPZVSGQHMFW-KRWDZBQOSA-N 1 0 396.329 2.439 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000883359339 653836874 /nfs/dbraw/zinc/83/68/74/653836874.db2.gz DPBZDBYEJLERAH-KWQFWETISA-N 1 0 376.347 2.267 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000883359388 653836987 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GEADRO COC(=O)CC[N@H+](CCN1CCOC1=O)Cc1cccc(Br)c1 ZINC000792325897 653840047 /nfs/dbraw/zinc/84/00/47/653840047.db2.gz AHEUEVMXDHUMKE-UHFFFAOYSA-N 1 0 385.258 2.266 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000883446535 653840215 /nfs/dbraw/zinc/84/02/15/653840215.db2.gz GIGGOVUFHIUZGP-CYBMUJFWSA-N 1 0 393.289 2.128 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1 ZINC000883470006 653840973 /nfs/dbraw/zinc/84/09/73/653840973.db2.gz IWQIVMLDQRIBRA-UHFFFAOYSA-N 1 0 388.795 2.028 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(CCC[NH3+])CC(F)(F)F ZINC000883470275 653840977 /nfs/dbraw/zinc/84/09/77/653840977.db2.gz QBOHMCNCVDLGIY-UHFFFAOYSA-N 1 0 388.795 2.028 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000883471052 653840999 /nfs/dbraw/zinc/84/09/99/653840999.db2.gz SFLLHGYQWJURSC-UHFFFAOYSA-N 1 0 380.310 2.329 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000883472177 653841227 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O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000845343997 653844426 /nfs/dbraw/zinc/84/44/26/653844426.db2.gz TWTCPMKNTOSRMP-RRFJBIMHSA-N 1 0 395.297 2.295 20 0 GEADRO COc1cc(Br)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000822879818 653844319 /nfs/dbraw/zinc/84/43/19/653844319.db2.gz WYLFSWOCZGFNJT-VXGBXAGGSA-N 1 0 399.285 2.059 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1snc(Cl)c1Cl ZINC000845383375 653845842 /nfs/dbraw/zinc/84/58/42/653845842.db2.gz UOGFBTRVXVZRAT-VIFPVBQESA-N 1 0 379.313 2.122 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883567359 653846219 /nfs/dbraw/zinc/84/62/19/653846219.db2.gz WWCHISAXQCNAKX-WCXIOVBPSA-N 1 0 385.599 2.309 20 0 GEADRO [NH3+]CC1(Cc2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)CC1 ZINC000822919826 653846176 /nfs/dbraw/zinc/84/61/76/653846176.db2.gz KXIWXAFRVFRJNX-UHFFFAOYSA-N 1 0 390.241 2.353 20 0 GEADRO COC(=O)[C@@]1(O)CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000895702155 653846540 /nfs/dbraw/zinc/84/65/40/653846540.db2.gz IPEHSDIBCOURTB-CQSZACIVSA-N 1 0 386.271 2.011 20 0 GEADRO CC1([NH3+])CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000883593552 653846974 /nfs/dbraw/zinc/84/69/74/653846974.db2.gz LRLOUIZJXNMQJJ-UHFFFAOYSA-N 1 0 383.246 2.125 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000883622285 653847964 /nfs/dbraw/zinc/84/79/64/653847964.db2.gz LMKZRUWHUJGOKO-UHFFFAOYSA-N 1 0 385.276 2.432 20 0 GEADRO CC(C)(O)C[NH+]1CCC(Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000895725078 653848176 /nfs/dbraw/zinc/84/81/76/653848176.db2.gz YUODHTQQAFUNPI-UHFFFAOYSA-N 1 0 398.301 2.427 20 0 GEADRO CSc1cccc(C)c1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883623250 653848345 /nfs/dbraw/zinc/84/83/45/653848345.db2.gz OXOVHPPIMMLAKG-UHFFFAOYSA-N 1 0 376.507 2.156 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1cscc1Br ZINC000883638985 653848729 /nfs/dbraw/zinc/84/87/29/653848729.db2.gz BXPXNZJXQJLEDU-MFKMUULPSA-N 1 0 388.331 2.197 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000883628695 653848764 /nfs/dbraw/zinc/84/87/64/653848764.db2.gz UTGWLJWEIATSNH-UHFFFAOYSA-N 1 0 390.228 2.396 20 0 GEADRO O[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Cc1ccc(F)cc1 ZINC000895752689 653848926 /nfs/dbraw/zinc/84/89/26/653848926.db2.gz KLIRWKSBQIRXFX-AWEZNQCLSA-N 1 0 385.892 2.465 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2cscc2Br)CC1 ZINC000883639659 653849139 /nfs/dbraw/zinc/84/91/39/653849139.db2.gz VOQAFCVCXSRFHP-SNVBAGLBSA-N 1 0 388.331 2.055 20 0 GEADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000895772836 653849574 /nfs/dbraw/zinc/84/95/74/653849574.db2.gz VQZLFDLFCHBWDJ-IAQYHMDHSA-N 1 0 385.277 2.404 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000883656514 653849741 /nfs/dbraw/zinc/84/97/41/653849741.db2.gz BPJIUIKCEHDPAV-UHFFFAOYSA-N 1 0 394.313 2.152 20 0 GEADRO CN(Cc1cscc1Br)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000883666337 653849812 /nfs/dbraw/zinc/84/98/12/653849812.db2.gz NCIUTQIXKHDWCQ-UHFFFAOYSA-N 1 0 376.320 2.374 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000883656900 653849824 /nfs/dbraw/zinc/84/98/24/653849824.db2.gz MNWXHFPLUKHGDD-UHFFFAOYSA-N 1 0 394.313 2.152 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000895798942 653850691 /nfs/dbraw/zinc/85/06/91/653850691.db2.gz LTWLZKBZGSCCFW-UHFFFAOYSA-N 1 0 390.269 2.315 20 0 GEADRO C[C@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1(Br)Br ZINC000823034220 653851042 /nfs/dbraw/zinc/85/10/42/653851042.db2.gz MQQBBTBCNPVTGB-BXKDBHETSA-N 1 0 380.124 2.483 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000895832505 653851790 /nfs/dbraw/zinc/85/17/90/653851790.db2.gz XRLWVRAFLLJYFW-IUODEOHRSA-N 1 0 385.258 2.075 20 0 GEADRO OCCOCC1(O)CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000895827025 653851808 /nfs/dbraw/zinc/85/18/08/653851808.db2.gz IEEHZQSCWMVXKB-UHFFFAOYSA-N 1 0 398.297 2.061 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000792856405 653854600 /nfs/dbraw/zinc/85/46/00/653854600.db2.gz HHKRSAWNAJVYRE-UHFFFAOYSA-N 1 0 378.514 2.015 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@]12CC[N@H+](C1)CCC2 ZINC000895903835 653856455 /nfs/dbraw/zinc/85/64/55/653856455.db2.gz SDBIPZHSHCRCPH-KRWDZBQOSA-N 1 0 381.270 2.322 20 0 GEADRO [NH3+]CCCCn1cc(-c2nc(Cc3cc(Br)cs3)no2)nn1 ZINC000823173206 653856433 /nfs/dbraw/zinc/85/64/33/653856433.db2.gz ZNECPQDDIXOWQC-UHFFFAOYSA-N 1 0 383.275 2.482 20 0 GEADRO CO[C@@H](C[NH3+])Cc1nc(C2(c3ccc(Br)cc3)CCOCC2)no1 ZINC000823199729 653857581 /nfs/dbraw/zinc/85/75/81/653857581.db2.gz CZHSFCFGHBUYQB-CQSZACIVSA-N 1 0 396.285 2.445 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)nc1Br ZINC000792965970 653857980 /nfs/dbraw/zinc/85/79/80/653857980.db2.gz KCSPBSSRZUFZQV-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895981293 653859631 /nfs/dbraw/zinc/85/96/31/653859631.db2.gz DOHGSVPXJLJXHV-MFKMUULPSA-N 1 0 389.315 2.331 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884009394 653860480 /nfs/dbraw/zinc/86/04/80/653860480.db2.gz VKCQSRLNFWNZRN-VIFPVBQESA-N 1 0 384.665 2.117 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884034373 653860928 /nfs/dbraw/zinc/86/09/28/653860928.db2.gz CTOMYCQHLZSLPC-JTQLQIEISA-N 1 0 386.681 2.396 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884034374 653860985 /nfs/dbraw/zinc/86/09/85/653860985.db2.gz CTOMYCQHLZSLPC-SNVBAGLBSA-N 1 0 386.681 2.396 20 0 GEADRO Cc1cn(C(C)(C)C(=O)NCCNC(=O)c2cccc(Br)c2)cn1 ZINC000896036855 653861483 /nfs/dbraw/zinc/86/14/83/653861483.db2.gz MVIPENXAJTWJMS-UHFFFAOYSA-N 1 0 393.285 2.235 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)n2)C[C@@H]1C ZINC000793006359 653861493 /nfs/dbraw/zinc/86/14/93/653861493.db2.gz VMIZQLUFNHHWKX-RYUDHWBXSA-N 1 0 383.290 2.114 20 0 GEADRO Cc1ncc2c(n1)CC[C@H](NC(=O)[C@H]([NH3+])c1ccc(Br)cc1)C2 ZINC000884067486 653861948 /nfs/dbraw/zinc/86/19/48/653861948.db2.gz IRGVUCFYXPPIPK-GOEBONIOSA-N 1 0 375.270 2.221 20 0 GEADRO O=C(NCc1cccc(Br)c1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884068467 653862374 /nfs/dbraw/zinc/86/23/74/653862374.db2.gz RIZSEWJQOGOIQL-UHFFFAOYSA-N 1 0 375.270 2.184 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000866996079 653862517 /nfs/dbraw/zinc/86/25/17/653862517.db2.gz OXCLDLMLTCAVFV-MQYQWHSLSA-N 1 0 385.357 2.084 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccc(Br)cc1 ZINC000884082535 653862790 /nfs/dbraw/zinc/86/27/90/653862790.db2.gz LAOCFAZOBOZZGZ-ZBFHGGJFSA-N 1 0 394.313 2.214 20 0 GEADRO Cc1cccc(OC[C@H](O)CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000884104061 653863907 /nfs/dbraw/zinc/86/39/07/653863907.db2.gz BJGMEPZGMURGGS-WBVHZDCISA-N 1 0 393.281 2.313 20 0 GEADRO C[C@@H]1[C@H](COC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000845817323 653864497 /nfs/dbraw/zinc/86/44/97/653864497.db2.gz FXDXFANKNNSJPC-PWSUYJOCSA-N 1 0 390.299 2.350 20 0 GEADRO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000896104375 653864904 /nfs/dbraw/zinc/86/49/04/653864904.db2.gz FIHYUIBTLXYBOT-GDBMZVCRSA-N 1 0 393.281 2.227 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000884122149 653864893 /nfs/dbraw/zinc/86/48/93/653864893.db2.gz INYZMUTXPYJBEQ-JTQLQIEISA-N 1 0 378.279 2.257 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000884121706 653864964 /nfs/dbraw/zinc/86/49/64/653864964.db2.gz WAXQCCFUCHHADI-LBPRGKRZSA-N 1 0 378.274 2.096 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@H](N2CCCCC2=O)C1)c1ccc(Br)cc1 ZINC000884129918 653864989 /nfs/dbraw/zinc/86/49/89/653864989.db2.gz TWQHYBVQQHCVPY-DOTOQJQBSA-N 1 0 394.313 2.452 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)c1ccc(Br)cc1 ZINC000884136907 653865328 /nfs/dbraw/zinc/86/53/28/653865328.db2.gz YNOBMZJRGVZUCG-GOEBONIOSA-N 1 0 394.313 2.310 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000867013796 653865812 /nfs/dbraw/zinc/86/58/12/653865812.db2.gz ZVIBULCQLGJVGL-UHFFFAOYSA-N 1 0 395.301 2.016 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1 ZINC000884162487 653866366 /nfs/dbraw/zinc/86/63/66/653866366.db2.gz GMGQOCKPQDELBZ-JKSUJKDBSA-N 1 0 394.313 2.356 20 0 GEADRO [NH3+][C@@H](CC1CC1)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000884193853 653867509 /nfs/dbraw/zinc/86/75/09/653867509.db2.gz RBBJFYJSIOIFSC-OCCSQVGLSA-N 1 0 395.301 2.149 20 0 GEADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000896201755 653868619 /nfs/dbraw/zinc/86/86/19/653868619.db2.gz AVDQAYONZSKNRJ-BPCQOVAHSA-N 1 0 382.473 2.044 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(Br)cc2=O)[C@@H]1c1ccccc1 ZINC000867029349 653868860 /nfs/dbraw/zinc/86/88/60/653868860.db2.gz BKRMRLFYVOEPJL-YJBOKZPZSA-N 1 0 390.281 2.172 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884254083 653869279 /nfs/dbraw/zinc/86/92/79/653869279.db2.gz DSVGFRBXMRJFTP-MWLCHTKSSA-N 1 0 398.692 2.411 20 0 GEADRO CC1(CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC[NH2+]CC1 ZINC000884247361 653869336 /nfs/dbraw/zinc/86/93/36/653869336.db2.gz RHXIQEDLWDGQDV-CQSZACIVSA-N 1 0 381.270 2.037 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884254082 653869340 /nfs/dbraw/zinc/86/93/40/653869340.db2.gz DSVGFRBXMRJFTP-KOLCDFICSA-N 1 0 398.692 2.411 20 0 GEADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3nn4c(c3Br)CCC4)cc2C1 ZINC000884243996 653869403 /nfs/dbraw/zinc/86/94/03/653869403.db2.gz UUQOSQSLSXTENF-SNVBAGLBSA-N 1 0 376.258 2.055 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884270422 653869872 /nfs/dbraw/zinc/86/98/72/653869872.db2.gz MBLMQIUSMMKAQP-KOLCDFICSA-N 1 0 398.692 2.411 20 0 GEADRO Cn1ncc(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)c1C(F)(F)F ZINC000867035679 653870088 /nfs/dbraw/zinc/87/00/88/653870088.db2.gz KTOHVJCGUGDSBV-UHFFFAOYSA-N 1 0 382.452 2.181 20 0 GEADRO Cc1cnc(Br)c(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000823491142 653870215 /nfs/dbraw/zinc/87/02/15/653870215.db2.gz DCQIJCWTQSUPPR-ZDUSSCGKSA-N 1 0 383.290 2.215 20 0 GEADRO COC[C@H](NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)c1cccc(Br)c1 ZINC000896250746 653870826 /nfs/dbraw/zinc/87/08/26/653870826.db2.gz SDIZLTFERFWAJK-VNQPRFMTSA-N 1 0 382.302 2.482 20 0 GEADRO O=C(c1c[nH]nc1I)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000896259292 653871400 /nfs/dbraw/zinc/87/14/00/653871400.db2.gz IXRJHRGSRKJOEB-LLVKDONJSA-N 1 0 388.253 2.105 20 0 GEADRO CC(C)[NH+](CCNC(=O)Cc1ccccc1S(=O)(=O)C(F)F)C(C)C ZINC000823564141 653871770 /nfs/dbraw/zinc/87/17/70/653871770.db2.gz CIBPSTHKRQPVJU-UHFFFAOYSA-N 1 0 376.469 2.460 20 0 GEADRO [NH3+][C@H](C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000884329086 653872781 /nfs/dbraw/zinc/87/27/81/653872781.db2.gz GAYBXPLXFXRLSD-BBWFWOEESA-N 1 0 393.281 2.050 20 0 GEADRO O=C(c1nn2c(c1Br)CCC2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000884339833 653873043 /nfs/dbraw/zinc/87/30/43/653873043.db2.gz YBSUHIZVCJXXPU-CQSZACIVSA-N 1 0 375.270 2.379 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc4c(cncc4Cl)s3)C2)nn1 ZINC000884340867 653873055 /nfs/dbraw/zinc/87/30/55/653873055.db2.gz PDRBCFOBCLZYQK-NSHDSACASA-N 1 0 376.873 2.477 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867067395 653874565 /nfs/dbraw/zinc/87/45/65/653874565.db2.gz JUJMICPTHPIEKE-WBVHZDCISA-N 1 0 387.571 2.239 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2nn3c(c2Br)CCC3)C1 ZINC000884388254 653875145 /nfs/dbraw/zinc/87/51/45/653875145.db2.gz QKLXMUVCGXINOS-MBNYWOFBSA-N 1 0 397.317 2.093 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)[nH]nc1I ZINC000896340826 653875350 /nfs/dbraw/zinc/87/53/50/653875350.db2.gz LAXNJOHUWGPHBD-LLVKDONJSA-N 1 0 390.269 2.317 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)C2 ZINC000884419915 653876182 /nfs/dbraw/zinc/87/61/82/653876182.db2.gz FKTPCDQFHVKKSY-VIFPVBQESA-N 1 0 387.299 2.385 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884445185 653877017 /nfs/dbraw/zinc/87/70/17/653877017.db2.gz HBPLFGNHIZEVDB-WCBMZHEXSA-N 1 0 384.665 2.163 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](O)CC(C)C ZINC000823737117 653878228 /nfs/dbraw/zinc/87/82/28/653878228.db2.gz SHASMNFXVDZTGF-IUODEOHRSA-N 1 0 387.318 2.459 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884495756 653878819 /nfs/dbraw/zinc/87/88/19/653878819.db2.gz DCIBKOIGNAJNBS-HNNXBMFYSA-N 1 0 396.329 2.268 20 0 GEADRO CC1(C)CC[C@H](CNC(=O)C(=O)NCc2ccsc2Br)[NH2+]C1 ZINC000884507691 653879436 /nfs/dbraw/zinc/87/94/36/653879436.db2.gz KGNQATTUBUOFMN-LLVKDONJSA-N 1 0 388.331 2.021 20 0 GEADRO C[NH+]1CCC2(CC1)CN(c1nc3ccc(Br)cc3c(=O)[nH]1)CCO2 ZINC000884543575 653880482 /nfs/dbraw/zinc/88/04/82/653880482.db2.gz ILKBRKONNLERLG-UHFFFAOYSA-N 1 0 393.285 2.399 20 0 GEADRO C[C@@]1(C2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)COC(=O)N1 ZINC000896468488 653881117 /nfs/dbraw/zinc/88/11/17/653881117.db2.gz YNVKWEPILUAFLM-INIZCTEOSA-N 1 0 394.273 2.202 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000823883116 653882239 /nfs/dbraw/zinc/88/22/39/653882239.db2.gz UZXBOEDRJIZYIL-UHFFFAOYSA-N 1 0 394.306 2.485 20 0 GEADRO C[C@H](NC(=O)Cc1c(Cl)cccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896531762 653882686 /nfs/dbraw/zinc/88/26/86/653882686.db2.gz IKQVFJPQFQUJBO-XHDPSFHLSA-N 1 0 388.737 2.396 20 0 GEADRO C[C@@H](NC(=O)c1cc2c(cncc2Br)s1)[C@H]1C[N@H+](C)CCN1C ZINC000896534303 653883009 /nfs/dbraw/zinc/88/30/09/653883009.db2.gz LRKLEIQAIQPIHR-ZWNOBZJWSA-N 1 0 397.342 2.423 20 0 GEADRO C[C@H](NC(=O)C(C)(C)c1ccccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896541077 653883685 /nfs/dbraw/zinc/88/36/85/653883685.db2.gz ICNKPGWUMCSBGA-BBRMVZONSA-N 1 0 382.346 2.477 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896544871 653884003 /nfs/dbraw/zinc/88/40/03/653884003.db2.gz NBZVZGLZFOTPDD-ONGXEEELSA-N 1 0 378.514 2.059 20 0 GEADRO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896544467 653884063 /nfs/dbraw/zinc/88/40/63/653884063.db2.gz FPZIXCRWKFXNBG-YPMHNXCESA-N 1 0 381.933 2.166 20 0 GEADRO O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884681100 653884288 /nfs/dbraw/zinc/88/42/88/653884288.db2.gz KZHASJBXGVPETC-NSHDSACASA-N 1 0 377.794 2.091 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884686100 653884304 /nfs/dbraw/zinc/88/43/04/653884304.db2.gz XZOYOELRKGHCHZ-WDEREUQCSA-N 1 0 377.794 2.361 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(CN3C(=O)c4ccc(Br)cc4C3=O)C2)C1 ZINC000793765436 653884534 /nfs/dbraw/zinc/88/45/34/653884534.db2.gz JHCPPCSXOWGSNX-KRWDZBQOSA-N 1 0 378.270 2.030 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896551368 653885012 /nfs/dbraw/zinc/88/50/12/653885012.db2.gz YOJOJQZQFYDPPV-KEYYUXOJSA-N 1 0 382.346 2.378 20 0 GEADRO O=C(NCCC[C@H]1CC1(Cl)Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000846175830 653889257 /nfs/dbraw/zinc/88/92/57/653889257.db2.gz ZGVFBVCMAJFTJD-WDEREUQCSA-N 1 0 391.265 2.096 20 0 GEADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000846181432 653890002 /nfs/dbraw/zinc/89/00/02/653890002.db2.gz PSDAOUSVUPGNBM-LLVKDONJSA-N 1 0 382.251 2.296 20 0 GEADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(F)cc2Cl)CCCO1 ZINC000867192390 653891309 /nfs/dbraw/zinc/89/13/09/653891309.db2.gz WXEBGJJDEANFFN-CYBMUJFWSA-N 1 0 378.897 2.399 20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ncnc2c1c(Br)nn2C ZINC000884855951 653891422 /nfs/dbraw/zinc/89/14/22/653891422.db2.gz VODTWPLWVFWUBM-LLVKDONJSA-N 1 0 388.273 2.236 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3c(Cl)ccnc3Cl)C2)C1 ZINC000846232533 653892450 /nfs/dbraw/zinc/89/24/50/653892450.db2.gz WJCJNUAQEOATAC-DMDPSCGWSA-N 1 0 394.324 2.295 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(C)[nH]nc2I)C1 ZINC000896735437 653892850 /nfs/dbraw/zinc/89/28/50/653892850.db2.gz ORQMRUKNFFAWLU-LLVKDONJSA-N 1 0 390.269 2.127 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000846264694 653893855 /nfs/dbraw/zinc/89/38/55/653893855.db2.gz PLLSFIXWBNDYOM-DLBZAZTESA-N 1 0 389.924 2.459 20 0 GEADRO C[C@H]1C[NH+](Cc2ccc(CNS(=O)(=O)c3ccns3)cc2)C[C@H](C)O1 ZINC000884926955 653895417 /nfs/dbraw/zinc/89/54/17/653895417.db2.gz HOLSGAMNCIHISE-KBPBESRZSA-N 1 0 381.523 2.231 20 0 GEADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000846324331 653895694 /nfs/dbraw/zinc/89/56/94/653895694.db2.gz UYSKPAMQCOPRAP-GFCCVEGCSA-N 1 0 386.279 2.197 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)c(Br)c1 ZINC000884951419 653897453 /nfs/dbraw/zinc/89/74/53/653897453.db2.gz CZYHDMGFHVWPIN-QWRGUYRKSA-N 1 0 377.279 2.493 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1Cl ZINC000884954667 653897531 /nfs/dbraw/zinc/89/75/31/653897531.db2.gz IEGNJIWNAFZGCZ-GHMZBOCLSA-N 1 0 392.930 2.402 20 0 GEADRO CC(=O)N[C@H](C(=O)NCC1=CC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000867229170 653898444 /nfs/dbraw/zinc/89/84/44/653898444.db2.gz GARJIZNWFVKTSA-INIZCTEOSA-N 1 0 380.286 2.004 20 0 GEADRO CN1C(=O)CCc2cc(C[NH2+]CCn3cc(Br)ccc3=O)ccc21 ZINC000824543422 653900860 /nfs/dbraw/zinc/90/08/60/653900860.db2.gz JZZQPLJBUQCPRA-UHFFFAOYSA-N 1 0 390.281 2.310 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884977325 653902435 /nfs/dbraw/zinc/90/24/35/653902435.db2.gz PGGHLEJTKHVWKJ-LLVKDONJSA-N 1 0 377.794 2.185 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885004606 653905401 /nfs/dbraw/zinc/90/54/01/653905401.db2.gz HCVBDOSOHVSUKZ-BTTYYORXSA-N 1 0 384.307 2.299 20 0 GEADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000885011383 653905633 /nfs/dbraw/zinc/90/56/33/653905633.db2.gz MHDWSMZDOBORCW-ZDUSSCGKSA-N 1 0 375.332 2.471 20 0 GEADRO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)nc1Br ZINC000794364281 653906114 /nfs/dbraw/zinc/90/61/14/653906114.db2.gz PFXHITXZSPMZPL-LBPRGKRZSA-N 1 0 385.306 2.461 20 0 GEADRO CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)c1nc[nH]c1Br ZINC000867268633 653906150 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C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2I)[C@H]1c1ccccc1 ZINC000897240178 653912304 /nfs/dbraw/zinc/91/23/04/653912304.db2.gz AHPHLSZRELAYHI-CHWSQXEVSA-N 1 0 396.232 2.190 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1Cl ZINC000867309567 653913344 /nfs/dbraw/zinc/91/33/44/653913344.db2.gz SRHNRSITVDOFEG-QMTHXVAHSA-N 1 0 375.878 2.231 20 0 GEADRO C[NH+](C)CCOC1CCN(Cn2c(=O)oc3cccc(Br)c32)CC1 ZINC000794629929 653914301 /nfs/dbraw/zinc/91/43/01/653914301.db2.gz BHHNNSFWICORNG-UHFFFAOYSA-N 1 0 398.301 2.357 20 0 GEADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)c2ccns2)CC1 ZINC000885168707 653914976 /nfs/dbraw/zinc/91/49/76/653914976.db2.gz ZXJKUNCAHCXUBJ-CQSZACIVSA-N 1 0 375.560 2.025 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cn1c(=O)oc2cccc(Br)c21 ZINC000794641644 653915139 /nfs/dbraw/zinc/91/51/39/653915139.db2.gz GCRRUHHYQPGBFE-LBPRGKRZSA-N 1 0 398.301 2.092 20 0 GEADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ncc(Br)cn1 ZINC000825046452 653916072 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GEADRO O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847360548 653925915 /nfs/dbraw/zinc/92/59/15/653925915.db2.gz BAJHVTNTUUHRLB-WDMOLILDSA-N 1 0 386.279 2.277 20 0 GEADRO CO[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1Br ZINC000847409976 653927408 /nfs/dbraw/zinc/92/74/08/653927408.db2.gz XQFVOKFJKJPISW-ZENOOKHLSA-N 1 0 383.286 2.116 20 0 GEADRO Cc1nc(Cl)c(Cl)cc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000847424077 653928351 /nfs/dbraw/zinc/92/83/51/653928351.db2.gz ZMWPIJBCCLNOFE-CQSZACIVSA-N 1 0 387.311 2.369 20 0 GEADRO O=S(=O)(NCC[NH+]1CCCC1)C1=Cc2cc(Br)ccc2OC1 ZINC000795067994 653928738 /nfs/dbraw/zinc/92/87/38/653928738.db2.gz OEAYZRANCDJPNP-UHFFFAOYSA-N 1 0 387.299 2.198 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000897607617 653930031 /nfs/dbraw/zinc/93/00/31/653930031.db2.gz CQTUHTGLFQDUFU-SNVBAGLBSA-N 1 0 390.269 2.173 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccnc3c(Br)cccc23)C[C@H]1CS(N)(=O)=O ZINC000897605356 653930154 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C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1ccc(F)cc1Cl)CCO2 ZINC000867452131 653934329 /nfs/dbraw/zinc/93/43/29/653934329.db2.gz AAZAUTSPOZBDBG-UHFFFAOYSA-N 1 0 376.881 2.106 20 0 GEADRO O=C(c1cccnc1I)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000825595939 653934859 /nfs/dbraw/zinc/93/48/59/653934859.db2.gz WRKISDXYNUMOEK-CYBMUJFWSA-N 1 0 385.249 2.290 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cnc(Cl)c(Br)c1 ZINC000847592906 653936322 /nfs/dbraw/zinc/93/63/22/653936322.db2.gz WMANKJCAQDXHCB-LBPRGKRZSA-N 1 0 390.709 2.464 20 0 GEADRO C[C@@H](NC(=O)Cn1ccc(Br)cc1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000867470824 653936976 /nfs/dbraw/zinc/93/69/76/653936976.db2.gz SSSFYZHJLRSSEO-ACJLOTCBSA-N 1 0 392.297 2.418 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Br)n1 ZINC000847608294 653937273 /nfs/dbraw/zinc/93/72/73/653937273.db2.gz SOQDXSYGABXPLC-JSGCOSHPSA-N 1 0 395.301 2.224 20 0 GEADRO C[NH+]1CCN(c2cccc(C(=O)NCCSCCC(F)(F)F)n2)CC1 ZINC000825734390 653938770 /nfs/dbraw/zinc/93/87/70/653938770.db2.gz FDQMIVZQURZKKI-UHFFFAOYSA-N 1 0 376.448 2.249 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NCCCCC[NH+]1CCCC1 ZINC000897854139 653940389 /nfs/dbraw/zinc/94/03/89/653940389.db2.gz YTVLWUXZCBYEHB-UHFFFAOYSA-N 1 0 390.269 2.319 20 0 GEADRO COc1cc(C[NH2+][C@]2(C)CCNC2=O)cc(Br)c1OC(F)F ZINC000897873105 653941327 /nfs/dbraw/zinc/94/13/27/653941327.db2.gz WTFZFHIIXQNGKE-CQSZACIVSA-N 1 0 379.201 2.427 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C[C@@H]([NH3+])C3CC3)n2)cc1 ZINC000826108889 653946718 /nfs/dbraw/zinc/94/67/18/653946718.db2.gz OZICMYORVUAKLE-CYBMUJFWSA-N 1 0 380.495 2.248 20 0 GEADRO CS[C@H]1CN(c2ccc(Br)cc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826227221 653948682 /nfs/dbraw/zinc/94/86/82/653948682.db2.gz NVNBQLSECSATJT-STQMWFEESA-N 1 0 383.319 2.111 20 0 GEADRO O=C(NCc1nc2ccc(Br)cc2o1)C1C[NH+](C2CCOCC2)C1 ZINC000898008160 653949784 /nfs/dbraw/zinc/94/97/84/653949784.db2.gz WWLNNFOWDYVPAD-UHFFFAOYSA-N 1 0 394.269 2.317 20 0 GEADRO C[NH+](C)CCN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C1CC1 ZINC000898017242 653949912 /nfs/dbraw/zinc/94/99/12/653949912.db2.gz JUWPUXKBFVOYCJ-AWEZNQCLSA-N 1 0 380.286 2.428 20 0 GEADRO Cn1nnnc1CCC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000898038039 653950791 /nfs/dbraw/zinc/95/07/91/653950791.db2.gz DGZACJOAKNLIRB-UHFFFAOYSA-N 1 0 389.095 2.458 20 0 GEADRO Cn1nnnc1CCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000898042571 653950862 /nfs/dbraw/zinc/95/08/62/653950862.db2.gz SERUCKTVOPCGGX-UHFFFAOYSA-N 1 0 376.205 2.296 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000898036388 653950942 /nfs/dbraw/zinc/95/09/42/653950942.db2.gz CUCMYLFUILYZMC-RISCZKNCSA-N 1 0 380.286 2.475 20 0 GEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cnc(F)c(Br)c1 ZINC000847968163 653953646 /nfs/dbraw/zinc/95/36/46/653953646.db2.gz BAFMWYAMIQNLQO-NSHDSACASA-N 1 0 386.265 2.309 20 0 GEADRO O=C(c1ccc(Br)cc1O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898121851 653954747 /nfs/dbraw/zinc/95/47/47/653954747.db2.gz XAGSFOZMZPBURZ-UHFFFAOYSA-N 1 0 383.286 2.121 20 0 GEADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000898154620 653955846 /nfs/dbraw/zinc/95/58/46/653955846.db2.gz GTZVUNJWQXWMJI-GFCCVEGCSA-N 1 0 379.258 2.322 20 0 GEADRO COc1cc(Br)c(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1O ZINC000898156326 653956333 /nfs/dbraw/zinc/95/63/33/653956333.db2.gz DEKFMGWEDWESDX-NSHDSACASA-N 1 0 395.257 2.027 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000826663046 653956605 /nfs/dbraw/zinc/95/66/05/653956605.db2.gz VYXIZSUBVDTZOV-PWSUYJOCSA-N 1 0 398.139 2.110 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898197986 653958082 /nfs/dbraw/zinc/95/80/82/653958082.db2.gz MFTRAGRMYWAEOT-IAQYHMDHSA-N 1 0 385.302 2.213 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3S(=O)(=O)C(F)(F)F)C[C@@H]2C1 ZINC000848103029 653959119 /nfs/dbraw/zinc/95/91/19/653959119.db2.gz GDVMPROFZXOXLP-NEPJUHHUSA-N 1 0 376.400 2.004 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1sc(N2CCCC2)nc1Cl ZINC000885865675 653960313 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CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898379463 653965575 /nfs/dbraw/zinc/96/55/75/653965575.db2.gz GPQQEALGBNWIGQ-IUIKQTSFSA-N 1 0 397.313 2.477 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccccc1OCC(F)F)c1cccs1 ZINC000886044452 653965724 /nfs/dbraw/zinc/96/57/24/653965724.db2.gz XIOVUTGSSOHJOQ-CYBMUJFWSA-N 1 0 391.461 2.316 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)cc1Cl ZINC000795795572 653966884 /nfs/dbraw/zinc/96/68/84/653966884.db2.gz IOTGFPOWOIGJTG-KBPBESRZSA-N 1 0 390.864 2.171 20 0 GEADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000867651845 653968591 /nfs/dbraw/zinc/96/85/91/653968591.db2.gz HPJJXXYAELNOGQ-DEOSSOPVSA-N 1 0 387.571 2.488 20 0 GEADRO O=C(NCc1ncc(Br)cn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000898400988 653968861 /nfs/dbraw/zinc/96/88/61/653968861.db2.gz JPSJNXGZEMHUKK-AWEZNQCLSA-N 1 0 382.306 2.399 20 0 GEADRO O=C(NCc1ncc(Br)cn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000898401054 653969199 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O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1C[NH+](C2CCOCC2)C1 ZINC000899153021 654001784 /nfs/dbraw/zinc/00/17/84/654001784.db2.gz FBWHGQGEJDDYOK-BPQIPLTHSA-N 1 0 391.309 2.314 20 0 GEADRO CN1CCN([C@@H](CNC(=[NH2+])NCCc2cccs2)c2cccs2)CC1 ZINC000849055335 654003641 /nfs/dbraw/zinc/00/36/41/654003641.db2.gz PQKIMJXLJQRLQV-INIZCTEOSA-N 1 0 377.583 2.455 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000899202009 654004062 /nfs/dbraw/zinc/00/40/62/654004062.db2.gz SYPQGTIOPKDOMQ-OAGGEKHMSA-N 1 0 393.281 2.226 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)NC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000849114287 654004953 /nfs/dbraw/zinc/00/49/53/654004953.db2.gz BVAGASJZIPGSMU-MWLCHTKSSA-N 1 0 381.329 2.496 20 0 GEADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1ccc(O)c(Br)c1 ZINC000849112249 654005035 /nfs/dbraw/zinc/00/50/35/654005035.db2.gz BYPHUTIQVVRFCJ-UHFFFAOYSA-N 1 0 387.278 2.293 20 0 GEADRO CC(C)(CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000849117761 654005353 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CN(C)C(=O)CN(CC[NH+](C)C)C(=S)Nc1cccc(Br)c1 ZINC000849293008 654010945 /nfs/dbraw/zinc/01/09/45/654010945.db2.gz NCKQGMRGZGIMAA-UHFFFAOYSA-N 1 0 387.347 2.098 20 0 GEADRO CCCN(C(=O)[C@H](NC(C)=O)c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000867963046 654011186 /nfs/dbraw/zinc/01/11/86/654011186.db2.gz JUAOXSSJAACYDD-HZPDHXFCSA-N 1 0 382.302 2.227 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])c1cccc(Br)c1 ZINC000867966288 654011384 /nfs/dbraw/zinc/01/13/84/654011384.db2.gz NPHMUJVWQOGQRI-LYRGGWFBSA-N 1 0 382.302 2.355 20 0 GEADRO CC(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccc(Br)c1 ZINC000867967893 654011719 /nfs/dbraw/zinc/01/17/19/654011719.db2.gz QONATEIHBIFIQI-LLLHUVSDSA-N 1 0 394.313 2.212 20 0 GEADRO CC(=O)N[C@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1cccc(Br)c1 ZINC000867967600 654011724 /nfs/dbraw/zinc/01/17/24/654011724.db2.gz JLWMVTCQDSFGPA-RDJZCZTQSA-N 1 0 382.302 2.132 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCCC[C@H]1CC[NH3+])c1cccc(Br)c1 ZINC000867970500 654011952 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Cc1c(NC(=O)N2CCC([NH2+]CCO)CC2)cnc(Cl)c1Br ZINC000868147699 654020758 /nfs/dbraw/zinc/02/07/58/654020758.db2.gz MJGCLEKTCVCUCC-UHFFFAOYSA-N 1 0 391.697 2.384 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000899563411 654021814 /nfs/dbraw/zinc/02/18/14/654021814.db2.gz FLLNZARCQQBOLF-UHFFFAOYSA-N 1 0 382.302 2.088 20 0 GEADRO COC(=O)c1cnc([C@H]2CCN(C(=S)NCC(C)(C)C[NH+](C)C)C2)s1 ZINC000899580116 654022740 /nfs/dbraw/zinc/02/27/40/654022740.db2.gz SLLSUDVTGZJXNF-LBPRGKRZSA-N 1 0 384.571 2.181 20 0 GEADRO CC1=C(Br)CN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868240490 654024658 /nfs/dbraw/zinc/02/46/58/654024658.db2.gz UUICFWBDGLVWQZ-DZGCQCFKSA-N 1 0 378.270 2.341 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000868246085 654024813 /nfs/dbraw/zinc/02/48/13/654024813.db2.gz ILMVXQYRTDNXHW-AWEZNQCLSA-N 1 0 398.301 2.420 20 0 GEADRO [NH3+]Cc1cc(NC(=O)C(=O)NCC[C@H]2CCSC2)cc(C(F)(F)F)c1 ZINC000868257467 654025557 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[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000868303023 654029053 /nfs/dbraw/zinc/02/90/53/654029053.db2.gz QLPWUBOPTULQLB-WAAGHKOSSA-N 1 0 379.766 2.073 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868307008 654029773 /nfs/dbraw/zinc/02/97/73/654029773.db2.gz LGYOXSGFQQPUEQ-ZSBIGDGJSA-N 1 0 398.276 2.482 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000868312301 654030005 /nfs/dbraw/zinc/03/00/05/654030005.db2.gz ORELXNFWDQWRRO-CQSZACIVSA-N 1 0 378.420 2.324 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccnc2Br)C1 ZINC000868312448 654030380 /nfs/dbraw/zinc/03/03/80/654030380.db2.gz ROFXGEMCZXYFOT-MRXNPFEDSA-N 1 0 383.290 2.006 20 0 GEADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000828256803 654030724 /nfs/dbraw/zinc/03/07/24/654030724.db2.gz IMACUDDNSVLWFS-KRWDZBQOSA-N 1 0 398.276 2.328 20 0 GEADRO C[N@H+](CCO)CCNC(=O)COc1ccc2ccccc2c1Br ZINC000899729838 654030725 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CC[NH+](CC)CCS(=O)(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 ZINC000849444290 654036768 /nfs/dbraw/zinc/03/67/68/654036768.db2.gz AQSOWQWCOBFTGP-UHFFFAOYSA-N 1 0 377.551 2.085 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000797580655 654036923 /nfs/dbraw/zinc/03/69/23/654036923.db2.gz BKVAOOSFVONPFK-JOYOIKCWSA-N 1 0 389.271 2.074 20 0 GEADRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(C)nc(Cl)c2)c1 ZINC000797601647 654037215 /nfs/dbraw/zinc/03/72/15/654037215.db2.gz BJRUARLEDABNIB-UHFFFAOYSA-N 1 0 383.901 2.258 20 0 GEADRO CCOC(=O)CS[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(F)(F)F ZINC000828509095 654038685 /nfs/dbraw/zinc/03/86/85/654038685.db2.gz HGCZEVKCLXOWLB-CYBMUJFWSA-N 1 0 384.464 2.450 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3C(=O)Nc4c3cccc4Br)CC[C@@H]21 ZINC000828509820 654038893 /nfs/dbraw/zinc/03/88/93/654038893.db2.gz FYWLCBQDNHPQFY-KYOSRNDESA-N 1 0 392.297 2.428 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)c1cccc(Br)c1 ZINC000868567524 654043839 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C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000900138458 654051539 /nfs/dbraw/zinc/05/15/39/654051539.db2.gz LUTKJCKFSOXPSI-SGTLLEGYSA-N 1 0 392.297 2.270 20 0 GEADRO C[NH+]1CCN(Cc2ccc(NC(=O)CN3CSCCSC3)cc2)CC1 ZINC000900192422 654053099 /nfs/dbraw/zinc/05/30/99/654053099.db2.gz PNOQNEKFURWYLO-UHFFFAOYSA-N 1 0 380.583 2.070 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(C)CC3(Br)Br)C[C@]2(C)C1 ZINC000887923195 654058771 /nfs/dbraw/zinc/05/87/71/654058771.db2.gz QPIKWUNKNLGQBG-ADEWGFFLSA-N 1 0 380.124 2.293 20 0 GEADRO CC(=O)N[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000868850773 654058750 /nfs/dbraw/zinc/05/87/50/654058750.db2.gz WUXKBGZWZXSIKP-WMLDXEAASA-N 1 0 396.329 2.474 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)COc3ccc(C=O)cc3Br)C[C@]2(C)C1 ZINC000887932035 654059099 /nfs/dbraw/zinc/05/90/99/654059099.db2.gz RZJQPYINYWKJBI-DYVFJYSZSA-N 1 0 381.270 2.051 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)NCC[N@H+](C)CCO)cc1Cl ZINC000887945634 654060028 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CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)cnc1Br ZINC000829455677 654068127 /nfs/dbraw/zinc/06/81/27/654068127.db2.gz ZNSWHRNSQDWRFY-SECBINFHSA-N 1 0 377.080 2.431 20 0 GEADRO CN(CC[NH+](C)C)C(=O)c1cnn(-c2ccccc2)c1I ZINC000829518374 654069805 /nfs/dbraw/zinc/06/98/05/654069805.db2.gz XWDSYPBLOSDEJJ-UHFFFAOYSA-N 1 0 398.248 2.111 20 0 GEADRO CC[NH+](CC)CCCOC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000850238622 654070036 /nfs/dbraw/zinc/07/00/36/654070036.db2.gz LDSJYUKGBUJUCA-UHFFFAOYSA-N 1 0 382.262 2.314 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000850341918 654071667 /nfs/dbraw/zinc/07/16/67/654071667.db2.gz BKRKZTWLMAIAFV-ZIAGYGMSSA-N 1 0 388.965 2.167 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000850341916 654071775 /nfs/dbraw/zinc/07/17/75/654071775.db2.gz BKRKZTWLMAIAFV-UONOGXRCSA-N 1 0 388.965 2.167 20 0 GEADRO CCn1c(Br)ncc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000900614459 654072992 /nfs/dbraw/zinc/07/29/92/654072992.db2.gz LLWBQRVPKGKYKS-UHFFFAOYSA-N 1 0 380.290 2.265 20 0 GEADRO COCCN1CCN(C(=O)c2cc(Br)cn3ccnc23)C(C)(C)C1 ZINC000869158819 654073158 /nfs/dbraw/zinc/07/31/58/654073158.db2.gz SRVFYQPYDPPJNV-UHFFFAOYSA-N 1 0 395.301 2.280 20 0 GEADRO COc1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c(SC)cc1OC ZINC000850364684 654073445 /nfs/dbraw/zinc/07/34/45/654073445.db2.gz OCIROUVMQUOCFB-UHFFFAOYSA-N 1 0 387.445 2.492 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1Br ZINC000850374406 654073804 /nfs/dbraw/zinc/07/38/04/654073804.db2.gz MAOBZWGZXFEXGY-CABCVRRESA-N 1 0 397.294 2.365 20 0 GEADRO CN(C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)[C@@H]1C[NH+]2CCC1CC2 ZINC000900662685 654074961 /nfs/dbraw/zinc/07/49/61/654074961.db2.gz PVCILPITQJPYRV-HZPDHXFCSA-N 1 0 393.281 2.083 20 0 GEADRO CCn1c(Br)ncc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000900661022 654074977 /nfs/dbraw/zinc/07/49/77/654074977.db2.gz DCMJGSRDGNKGIV-UHFFFAOYSA-N 1 0 399.333 2.430 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCC2SCCS2)cc1Br ZINC000850408103 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COCC[N@H+](C)CCNC(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000916330297 654092308 /nfs/dbraw/zinc/09/23/08/654092308.db2.gz GWNYZRIXCYOXOA-HNNXBMFYSA-N 1 0 385.306 2.269 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2CCc3ncc(Br)n3C2)C1 ZINC000900923069 654092349 /nfs/dbraw/zinc/09/23/49/654092349.db2.gz WNXZMUVVZMGHIU-MEDUHNTESA-N 1 0 387.297 2.289 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000850667039 654092481 /nfs/dbraw/zinc/09/24/81/654092481.db2.gz POBSJOOEKJYHGY-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1OC ZINC000916348221 654092648 /nfs/dbraw/zinc/09/26/48/654092648.db2.gz XBHUUMWWYAKBNH-GXFFZTMASA-N 1 0 386.290 2.358 20 0 GEADRO O=C(N[C@H]1CCc2ncc(Br)n2C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000900925484 654093599 /nfs/dbraw/zinc/09/35/99/654093599.db2.gz YMPMISGVTLHVQF-GXTWGEPZSA-N 1 0 381.318 2.484 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000869398166 654093678 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CN1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC[N@H+](C)CC1 ZINC000888986642 654118494 /nfs/dbraw/zinc/11/84/94/654118494.db2.gz OSJCYYVWPJLLHI-UHFFFAOYSA-N 1 0 388.737 2.351 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888985270 654118601 /nfs/dbraw/zinc/11/86/01/654118601.db2.gz RKQABMWMJRAJNS-UHFFFAOYSA-N 1 0 378.514 2.015 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N2CCN(C)CC[N@H+](C)CC2)c(Br)c1 ZINC000888993785 654119187 /nfs/dbraw/zinc/11/91/87/654119187.db2.gz HCGHGLUTRWIOTM-OAHLLOKOSA-N 1 0 398.345 2.231 20 0 GEADRO CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC[N@H+](C)CC1 ZINC000888995155 654119256 /nfs/dbraw/zinc/11/92/56/654119256.db2.gz BVJBZKONDJYMSA-UHFFFAOYSA-N 1 0 379.302 2.250 20 0 GEADRO CN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC[N@H+](C)CC1 ZINC000888995364 654119320 /nfs/dbraw/zinc/11/93/20/654119320.db2.gz LYVUYIVOWKFAIQ-UHFFFAOYSA-N 1 0 380.330 2.187 20 0 GEADRO CN1CCN(C(=O)CCSc2nc3ccccc3s2)CC[N@H+](C)CC1 ZINC000888996974 654119638 /nfs/dbraw/zinc/11/96/38/654119638.db2.gz OFDLJSHLVQKTFX-UHFFFAOYSA-N 1 0 378.567 2.484 20 0 GEADRO COC(=O)c1cc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)ccc1Br ZINC000901322589 654120180 /nfs/dbraw/zinc/12/01/80/654120180.db2.gz IZJBGRGSPKONAX-INIZCTEOSA-N 1 0 385.258 2.021 20 0 GEADRO COC(=O)c1cc(NC(=O)c2ccnn2CC[NH+](C)C)ccc1Br ZINC000901321373 654120361 /nfs/dbraw/zinc/12/03/61/654120361.db2.gz AAFUMBYANMAWPT-UHFFFAOYSA-N 1 0 395.257 2.246 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000799932614 654121527 /nfs/dbraw/zinc/12/15/27/654121527.db2.gz SXDHUOGEVVFIBO-CVEARBPZSA-N 1 0 382.302 2.266 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000901361897 654122552 /nfs/dbraw/zinc/12/25/52/654122552.db2.gz VBCKQDMRONDFGH-UHFFFAOYSA-N 1 0 397.361 2.393 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c3cc(Br)ccc23)C1 ZINC000869780285 654122945 /nfs/dbraw/zinc/12/29/45/654122945.db2.gz RJOVMDPTQUFEEA-AWEZNQCLSA-N 1 0 394.313 2.434 20 0 GEADRO CC[NH+]1CCN(CCC(=O)NCCc2cccc(Br)c2C)CC1 ZINC000830556822 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20 0 GEADRO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920760862 654220331 /nfs/dbraw/zinc/22/03/31/654220331.db2.gz HARBWAUJBPNFJQ-HNNXBMFYSA-N 1 0 383.286 2.135 20 0 GEADRO C[N@H+](CCc1nnn(C(C)(C)C)n1)C[C@H](O)c1ccccc1Br ZINC000852149288 654221950 /nfs/dbraw/zinc/22/19/50/654221950.db2.gz GGIUINSVBFMXBX-AWEZNQCLSA-N 1 0 382.306 2.399 20 0 GEADRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903168186 654223386 /nfs/dbraw/zinc/22/33/86/654223386.db2.gz UAKRTAJXQCEDOR-IACUBPJLSA-N 1 0 381.416 2.276 20 0 GEADRO CCN1C[C@@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1=O ZINC000903194713 654225663 /nfs/dbraw/zinc/22/56/63/654225663.db2.gz QBAVVIIVOQMHAZ-NWDGAFQWSA-N 1 0 378.416 2.499 20 0 GEADRO CC[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903214815 654227489 /nfs/dbraw/zinc/22/74/89/654227489.db2.gz VWKGZOPIYKMFKW-DOMZBBRYSA-N 1 0 387.933 2.157 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903225975 654228377 /nfs/dbraw/zinc/22/83/77/654228377.db2.gz JASKXNOIUCBHRB-YGRLFVJLSA-N 1 0 377.388 2.098 20 0 GEADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOC)C[C@H]1C ZINC000802434972 654230431 /nfs/dbraw/zinc/23/04/31/654230431.db2.gz MAQRWUMRHHJLMT-GFCCVEGCSA-N 1 0 397.321 2.213 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000903273381 654232021 /nfs/dbraw/zinc/23/20/21/654232021.db2.gz YCPVICQRXFPWSE-UAGQMJEPSA-N 1 0 383.583 2.181 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903286690 654232555 /nfs/dbraw/zinc/23/25/55/654232555.db2.gz MRKGEVQFMROCEV-VBTFHMOKSA-N 1 0 377.293 2.467 20 0 GEADRO O=C(NCCn1cc(Br)cn1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000852332243 654232562 /nfs/dbraw/zinc/23/25/62/654232562.db2.gz HCWMYSLSNOHKTG-AWEZNQCLSA-N 1 0 384.322 2.067 20 0 GEADRO COc1cc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2OC)ccc1S(=O)(=O)C(F)F ZINC000903300166 654233168 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GEADRO CO[C@]1(C[NH2+][C@H](C)Cc2ccc(F)cc2Br)CCS(=O)(=O)C1 ZINC000903362335 654235205 /nfs/dbraw/zinc/23/52/05/654235205.db2.gz DSUSMXUZYWBJTP-ABAIWWIYSA-N 1 0 394.306 2.313 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CCS(=O)(=O)C1 ZINC000903362337 654235342 /nfs/dbraw/zinc/23/53/42/654235342.db2.gz DSUSMXUZYWBJTP-NHYWBVRUSA-N 1 0 394.306 2.313 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)c(Br)c1 ZINC000903365191 654235618 /nfs/dbraw/zinc/23/56/18/654235618.db2.gz JIRHGOQTPNIYOM-NHYWBVRUSA-N 1 0 392.315 2.312 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000832124785 654237578 /nfs/dbraw/zinc/23/75/78/654237578.db2.gz OOJHRDYMURNTCF-UHFFFAOYSA-N 1 0 382.917 2.407 20 0 GEADRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000852431256 654238607 /nfs/dbraw/zinc/23/86/07/654238607.db2.gz QYIDPDCKMXBNPX-OLZOCXBDSA-N 1 0 375.252 2.260 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)CCS2(=O)=O ZINC000903452964 654239957 /nfs/dbraw/zinc/23/99/57/654239957.db2.gz RPKPVVOPABABBP-PWXAKJEPSA-N 1 0 386.901 2.285 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)c1ccncc1Cl)CCS2(=O)=O ZINC000903452614 654239996 /nfs/dbraw/zinc/23/99/96/654239996.db2.gz PDIFAYMNAKZTIU-IRSUPMPHSA-N 1 0 386.901 2.285 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000903491510 654240978 /nfs/dbraw/zinc/24/09/78/654240978.db2.gz NODUDUONHFTXHW-ZDUSSCGKSA-N 1 0 383.283 2.249 20 0 GEADRO [NH3+][C@@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C(F)(F)F ZINC000903513439 654244679 /nfs/dbraw/zinc/24/46/79/654244679.db2.gz NNRJEQATPMMTAS-JHJVBQTASA-N 1 0 392.219 2.376 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)N(C)CC(C)(C)C[NH+](C)C)cs1)C(N)=O ZINC000890879032 654246744 /nfs/dbraw/zinc/24/67/44/654246744.db2.gz VNYOXJXIJGTVGZ-CYBMUJFWSA-N 1 0 386.587 2.088 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000890881590 654246914 /nfs/dbraw/zinc/24/69/14/654246914.db2.gz AMZFIQNPICJVMB-UHFFFAOYSA-N 1 0 398.305 2.342 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000890881849 654247018 /nfs/dbraw/zinc/24/70/18/654247018.db2.gz AQGGUJXQSYZVQN-UHFFFAOYSA-N 1 0 398.301 2.440 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000890885340 654247074 /nfs/dbraw/zinc/24/70/74/654247074.db2.gz DGZXAGLFKGOOBL-UHFFFAOYSA-N 1 0 387.571 2.192 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000890885394 654247080 /nfs/dbraw/zinc/24/70/80/654247080.db2.gz FRJWSDNHJQHEKA-UHFFFAOYSA-N 1 0 382.555 2.035 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1F ZINC000903521596 654248079 /nfs/dbraw/zinc/24/80/79/654248079.db2.gz DODXZVKTIORMEA-LLVKDONJSA-N 1 0 395.294 2.263 20 0 GEADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000903521104 654248213 /nfs/dbraw/zinc/24/82/13/654248213.db2.gz IEDOTPLEHBJLCU-UHFFFAOYSA-N 1 0 376.320 2.230 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1F ZINC000903525611 654249371 /nfs/dbraw/zinc/24/93/71/654249371.db2.gz XPKGFYRVIDZIQE-OTYXRUKQSA-N 1 0 393.278 2.099 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000903525689 654249807 /nfs/dbraw/zinc/24/98/07/654249807.db2.gz OWBWETDHAIHKGA-TZMCWYRMSA-N 1 0 377.279 2.292 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000903525687 654249862 /nfs/dbraw/zinc/24/98/62/654249862.db2.gz OWBWETDHAIHKGA-JSGCOSHPSA-N 1 0 377.279 2.292 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903536060 654251037 /nfs/dbraw/zinc/25/10/37/654251037.db2.gz ADXZFDHPUOQFAD-XHDPSFHLSA-N 1 0 389.315 2.350 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c(Br)c1 ZINC000903537130 654251129 /nfs/dbraw/zinc/25/11/29/654251129.db2.gz OEMKYPXQPIKRGQ-ABAIWWIYSA-N 1 0 389.315 2.350 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])cc1Cl ZINC000903537399 654251441 /nfs/dbraw/zinc/25/14/41/654251441.db2.gz TXCKDVMCSRTGAR-BDJLRTHQSA-N 1 0 389.880 2.330 20 0 GEADRO CCOC(=O)c1ccsc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903538360 654251821 /nfs/dbraw/zinc/25/18/21/654251821.db2.gz AFRVXRWDBQPMEA-GHMZBOCLSA-N 1 0 379.404 2.075 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000903539229 654251930 /nfs/dbraw/zinc/25/19/30/654251930.db2.gz CJBGWIYQYZSNNT-SJCJKPOMSA-N 1 0 383.901 2.117 20 0 GEADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901673 654266505 /nfs/dbraw/zinc/26/65/05/654266505.db2.gz NSGZAQADHSZARD-BFLSOPEQSA-N 1 0 380.124 2.339 20 0 GEADRO C[C@]12CCN(C(=O)[C@]3(F)CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852901735 654266514 /nfs/dbraw/zinc/26/65/14/654266514.db2.gz PQSDRQCCQHEWMG-MIMYLULJSA-N 1 0 384.087 2.043 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCCN2S(=O)(=O)c1ccc(F)cc1Br ZINC000903540369 654252224 /nfs/dbraw/zinc/25/22/24/654252224.db2.gz IXVYZFJFYVAEFA-YGRLFVJLSA-N 1 0 377.279 2.480 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000903542023 654252310 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CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000903553213 654254842 /nfs/dbraw/zinc/25/48/42/654254842.db2.gz BXWPCBPFJMHLLC-MLGOLLRUSA-N 1 0 388.917 2.032 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903554931 654254893 /nfs/dbraw/zinc/25/48/93/654254893.db2.gz YIGJFGGQDULAAE-OAHLLOKOSA-N 1 0 376.906 2.032 20 0 GEADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000903556964 654255206 /nfs/dbraw/zinc/25/52/06/654255206.db2.gz OASGIASLWSLQJN-UHFFFAOYSA-N 1 0 378.416 2.438 20 0 GEADRO O[C@@H](CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(F)c(Br)c1 ZINC000852707999 654255341 /nfs/dbraw/zinc/25/53/41/654255341.db2.gz NXURVCCIPNAHMU-PBHICJAKSA-N 1 0 387.293 2.153 20 0 GEADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1cc(Br)c2ccccc2c1 ZINC000903562025 654255959 /nfs/dbraw/zinc/25/59/59/654255959.db2.gz VFCXRLVCVJLLLU-CQSZACIVSA-N 1 0 399.310 2.010 20 0 GEADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000903565745 654257015 /nfs/dbraw/zinc/25/70/15/654257015.db2.gz CYQKJHVQRIIWJC-UHFFFAOYSA-N 1 0 385.839 2.060 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCCC[NH2+]2)cc1Cl ZINC000903565274 654257144 /nfs/dbraw/zinc/25/71/44/654257144.db2.gz TYMBPAAGJFKBNN-NSHDSACASA-N 1 0 375.878 2.329 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NCC2(n3cc(Br)cn3)CC2)C[N@@H+]1C1CC1 ZINC000921384328 654257760 /nfs/dbraw/zinc/25/77/60/654257760.db2.gz MSGUULUTSNLQDA-DGCLKSJQSA-N 1 0 382.306 2.059 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000903573777 654259306 /nfs/dbraw/zinc/25/93/06/654259306.db2.gz JCZINFBCIMNXKG-NSHDSACASA-N 1 0 378.853 2.028 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2N1 ZINC000871804838 654260863 /nfs/dbraw/zinc/26/08/63/654260863.db2.gz MOZHBTZLISLQGU-CYBMUJFWSA-N 1 0 383.901 2.130 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000903579346 654261055 /nfs/dbraw/zinc/26/10/55/654261055.db2.gz NNHYXSWCBCQQFI-VXNVDRBHSA-N 1 0 378.203 2.289 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903579348 654261087 /nfs/dbraw/zinc/26/10/87/654261087.db2.gz NOMOBFKPTNCRQY-OLZOCXBDSA-N 1 0 386.823 2.387 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CC[C@@H]1C(F)(F)F ZINC000903578853 654261099 /nfs/dbraw/zinc/26/10/99/654261099.db2.gz KNWMKPSZJWKICN-IUCAKERBSA-N 1 0 392.321 2.327 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903579350 654261110 /nfs/dbraw/zinc/26/11/10/654261110.db2.gz NOMOBFKPTNCRQY-QWHCGFSZSA-N 1 0 386.823 2.387 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000903579501 654261372 /nfs/dbraw/zinc/26/13/72/654261372.db2.gz OAZKFDZEOLRTGC-RYUDHWBXSA-N 1 0 388.358 2.231 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c32)CC[C@H]1C(F)(F)F ZINC000903580707 654261760 /nfs/dbraw/zinc/26/17/60/654261760.db2.gz XXWMJFRUEOEFSR-APPZFPTMSA-N 1 0 382.795 2.117 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)=NO1 ZINC000852835668 654262833 /nfs/dbraw/zinc/26/28/33/654262833.db2.gz QYHMQMWQMCXIQV-CLAHSXSESA-N 1 0 376.215 2.136 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000852841830 654263415 /nfs/dbraw/zinc/26/34/15/654263415.db2.gz RFWMDNVQCSEPDD-UHFFFAOYSA-N 1 0 387.933 2.324 20 0 GEADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000852865659 654264269 /nfs/dbraw/zinc/26/42/69/654264269.db2.gz KZGWTYPPCDKWCI-UHFFFAOYSA-N 1 0 375.270 2.425 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000852870751 654264544 /nfs/dbraw/zinc/26/45/44/654264544.db2.gz XICHHXJLZRRAHD-UHFFFAOYSA-N 1 0 375.300 2.052 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000903589458 654264545 /nfs/dbraw/zinc/26/45/45/654264545.db2.gz FMBZGLKBHYPIPQ-UHFFFAOYSA-N 1 0 378.922 2.374 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903589237 654264549 /nfs/dbraw/zinc/26/45/49/654264549.db2.gz NPEOADPVJCOGPP-GDZNZVCISA-N 1 0 388.917 2.256 20 0 GEADRO C[C@@]1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1(Br)Br ZINC000852880686 654265276 /nfs/dbraw/zinc/26/52/76/654265276.db2.gz OELVHFGMMNCHED-RYUDHWBXSA-N 1 0 380.124 2.485 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC[C@]12CC[NH2+]C2 ZINC000903592774 654265792 /nfs/dbraw/zinc/26/57/92/654265792.db2.gz RADDRZCBXQHMRD-CQSZACIVSA-N 1 0 377.279 2.246 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871820491 654265793 /nfs/dbraw/zinc/26/57/93/654265793.db2.gz PNSYMJHIGFQFCD-KGLIPLIRSA-N 1 0 377.279 2.292 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000871819822 654265824 /nfs/dbraw/zinc/26/58/24/654265824.db2.gz VRDLTWQXGGYWGD-LBPRGKRZSA-N 1 0 380.436 2.030 20 0 GEADRO C[NH2+]CCCN(C)C(=O)c1cnn(-c2ccccc2)c1I ZINC000852892543 654265965 /nfs/dbraw/zinc/26/59/65/654265965.db2.gz LJLRUOPRMGTIAD-UHFFFAOYSA-N 1 0 398.248 2.158 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c(C)c1Cl ZINC000871820672 654266048 /nfs/dbraw/zinc/26/60/48/654266048.db2.gz SXWQCSQTTZXMGL-XPTSAGLGSA-N 1 0 378.903 2.059 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c(Cl)cc1Cl ZINC000903593806 654266012 /nfs/dbraw/zinc/26/60/12/654266012.db2.gz WFDZFCAGSILJNV-OAHLLOKOSA-N 1 0 393.292 2.297 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903597603 654266070 /nfs/dbraw/zinc/26/60/70/654266070.db2.gz ZRIRPICUMNMRSC-OAHLLOKOSA-N 1 0 389.315 2.364 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CCC[C@@]12CC[NH2+]C2 ZINC000903597585 654266132 /nfs/dbraw/zinc/26/61/32/654266132.db2.gz ZCYNNELXNYQVLR-LBPRGKRZSA-N 1 0 380.695 2.014 20 0 GEADRO CC1CC[NH+](Cc2ccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)cc2)CC1 ZINC000903618449 654268237 /nfs/dbraw/zinc/26/82/37/654268237.db2.gz KVDFYYOQBJTITI-DEOSSOPVSA-N 1 0 388.559 2.150 20 0 GEADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc1 ZINC000903619051 654268488 /nfs/dbraw/zinc/26/84/88/654268488.db2.gz VXXYGKFQLYMFGB-LFPIHBKWSA-N 1 0 388.559 2.292 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)cc1 ZINC000903619052 654268637 /nfs/dbraw/zinc/26/86/37/654268637.db2.gz VXXYGKFQLYMFGB-SHACYNPGSA-N 1 0 388.559 2.292 20 0 GEADRO C[C@@H](NC(=O)c1ccc2ncc(I)n2c1)[C@H]1CCC[NH2+]C1 ZINC000832498220 654270452 /nfs/dbraw/zinc/27/04/52/654270452.db2.gz XJCOAVIEVHCTDF-MNOVXSKESA-N 1 0 398.248 2.057 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2c3c(nn2C)CCSC3)(C(F)(F)F)CC1 ZINC000891211525 654271990 /nfs/dbraw/zinc/27/19/90/654271990.db2.gz ILGDWMUDNLPYJF-UHFFFAOYSA-N 1 0 376.448 2.356 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1occc1Br)c1cccnc1 ZINC000921478628 654272539 /nfs/dbraw/zinc/27/25/39/654272539.db2.gz OJPWFXHDKUSLFA-CYBMUJFWSA-N 1 0 388.287 2.408 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(C(=S)NCc3ccc(Br)cc3)CC2)C1 ZINC000853043846 654273838 /nfs/dbraw/zinc/27/38/38/654273838.db2.gz PHDYKPMRZDFUPW-INIZCTEOSA-N 1 0 398.370 2.355 20 0 GEADRO C[NH+](C)CCCNC(=S)NCCc1ccc(I)cc1 ZINC000853033615 654273935 /nfs/dbraw/zinc/27/39/35/654273935.db2.gz UJPWICLAYQWINU-UHFFFAOYSA-N 1 0 391.322 2.250 20 0 GEADRO C[C@H](C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)CC1(C)OCCO1 ZINC000871898311 654274524 /nfs/dbraw/zinc/27/45/24/654274524.db2.gz BOMPJHMNELWSPC-HZMBPMFUSA-N 1 0 389.265 2.493 20 0 GEADRO CN(C1CCOCC1)S(=O)(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000832574636 654277376 /nfs/dbraw/zinc/27/73/76/654277376.db2.gz MZWVAGLTYWHORQ-UHFFFAOYSA-N 1 0 375.579 2.174 20 0 GEADRO CCn1c(Br)c(Br)nc1C[NH2+]CCCn1cncn1 ZINC000921516130 654277607 /nfs/dbraw/zinc/27/76/07/654277607.db2.gz LKXCQCSCAMZLBD-UHFFFAOYSA-N 1 0 392.099 2.199 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)c2ccccn2)s1 ZINC000853098036 654279216 /nfs/dbraw/zinc/27/92/16/654279216.db2.gz DYOJOSZJWXOBDY-MRXNPFEDSA-N 1 0 383.539 2.039 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccccn2)CCN1c1cccc(Br)c1 ZINC000853102923 654279239 /nfs/dbraw/zinc/27/92/39/654279239.db2.gz IAXOEPGHQJXVSW-HOTGVXAUSA-N 1 0 376.254 2.273 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000832613072 654281041 /nfs/dbraw/zinc/28/10/41/654281041.db2.gz MKOHILCPCIMGSC-UHFFFAOYSA-N 1 0 389.949 2.487 20 0 GEADRO CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903721326 654281512 /nfs/dbraw/zinc/28/15/12/654281512.db2.gz PZAXLDGDOCMAOP-CHWSQXEVSA-N 1 0 377.794 2.037 20 0 GEADRO CC(C)[C@H](C(=O)OCc1nnnn1-c1ccccc1Br)[NH+](C)C ZINC000803495510 654281979 /nfs/dbraw/zinc/28/19/79/654281979.db2.gz PYEQXIGMAMSEKX-CQSZACIVSA-N 1 0 382.262 2.054 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000903830457 654284629 /nfs/dbraw/zinc/28/46/29/654284629.db2.gz BSOCREVGBOFDSZ-GFCCVEGCSA-N 1 0 390.709 2.351 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000903836305 654285343 /nfs/dbraw/zinc/28/53/43/654285343.db2.gz JFDLNPXKEAREMI-NSHDSACASA-N 1 0 387.303 2.371 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000832679663 654287189 /nfs/dbraw/zinc/28/71/89/654287189.db2.gz ICLSGSJAMWRITI-UHFFFAOYSA-N 1 0 395.356 2.083 20 0 GEADRO Cn1c(C(=O)N2CCOC3(C[NH2+]C3)C2)ccc1-c1ccc(Br)cc1 ZINC000853245843 654288932 /nfs/dbraw/zinc/28/89/32/654288932.db2.gz NWHCOMAZRMVDII-UHFFFAOYSA-N 1 0 390.281 2.269 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000832726482 654291233 /nfs/dbraw/zinc/29/12/33/654291233.db2.gz ZZPSUHOHYUGZCX-GFCCVEGCSA-N 1 0 380.539 2.418 20 0 GEADRO COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903910884 654291395 /nfs/dbraw/zinc/29/13/95/654291395.db2.gz SKKFKFQLCHAMME-GOEBONIOSA-N 1 0 375.847 2.154 20 0 GEADRO [NH3+][C@@H](CC(F)F)CN1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000903935406 654292464 /nfs/dbraw/zinc/29/24/64/654292464.db2.gz OWWUTVYURUKTEN-ZDUSSCGKSA-N 1 0 376.245 2.076 20 0 GEADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891424738 654293227 /nfs/dbraw/zinc/29/32/27/654293227.db2.gz ACCMUSZMASMVBJ-BMFZPTHFSA-N 1 0 393.329 2.421 20 0 GEADRO Brc1cc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc2c1OCO2 ZINC000903973536 654293844 /nfs/dbraw/zinc/29/38/44/654293844.db2.gz FZCRGYDMLIOUHM-ZDUSSCGKSA-N 1 0 383.286 2.426 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891449983 654294137 /nfs/dbraw/zinc/29/41/37/654294137.db2.gz DEKWVGDOVYOYGK-LLVKDONJSA-N 1 0 392.244 2.372 20 0 GEADRO C[C@H](CNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)C[NH+]1CCCC1 ZINC000853455012 654296338 /nfs/dbraw/zinc/29/63/38/654296338.db2.gz OLGNBUGRJHCENY-CQSZACIVSA-N 1 0 396.329 2.394 20 0 GEADRO CCN(C(=O)NCCc1ccc(I)s1)[C@H]1CC[NH2+]C1 ZINC000891492124 654297746 /nfs/dbraw/zinc/29/77/46/654297746.db2.gz QWAUVADIWSBCQD-JTQLQIEISA-N 1 0 393.294 2.289 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000891537381 654299532 /nfs/dbraw/zinc/29/95/32/654299532.db2.gz BBCUSTOJRGNKKM-UHFFFAOYSA-N 1 0 399.333 2.224 20 0 GEADRO C[NH+]1CCC(n2cc(NC(=O)C(=O)NCc3cscc3Cl)cn2)CC1 ZINC000891548605 654300210 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CC[NH+]1CCN([C@@H](C)CNc2nc(C)c(C(=O)OC)cc2Br)CC1 ZINC000891829612 654313258 /nfs/dbraw/zinc/31/32/58/654313258.db2.gz OGAITOYZSYGTBC-LBPRGKRZSA-N 1 0 399.333 2.377 20 0 GEADRO COCCOc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000904547160 654313316 /nfs/dbraw/zinc/31/33/16/654313316.db2.gz CPCCEKWFNCWSDT-BETUJISGSA-N 1 0 384.274 2.442 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872094155 654313563 /nfs/dbraw/zinc/31/35/63/654313563.db2.gz ZKWCTEIBGPNLRL-HIFRSBDPSA-N 1 0 391.331 2.056 20 0 GEADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872119600 654313978 /nfs/dbraw/zinc/31/39/78/654313978.db2.gz IECNEDIQMBEXOS-FUDCBSFHSA-N 1 0 385.917 2.398 20 0 GEADRO CCc1cnccc1-c1noc(-c2cc(Br)cn(CC[NH3+])c2=O)n1 ZINC000904615093 654314371 /nfs/dbraw/zinc/31/43/71/654314371.db2.gz AOFMLCZVMZYWTC-UHFFFAOYSA-N 1 0 390.241 2.244 20 0 GEADRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000872121435 654314563 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C[NH+](C)C[C@H](N)c1nc(C2(c3ccc(Br)cc3)CCOCC2)no1 ZINC000872180711 654315969 /nfs/dbraw/zinc/31/59/69/654315969.db2.gz AKXDOKCTPJGLNK-AWEZNQCLSA-N 1 0 395.301 2.490 20 0 GEADRO COCCC1(NC(=O)N[C@@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000891866567 654316083 /nfs/dbraw/zinc/31/60/83/654316083.db2.gz FXSRLDDPELSVSR-LBPRGKRZSA-N 1 0 385.306 2.363 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199558 654316487 /nfs/dbraw/zinc/31/64/87/654316487.db2.gz PYMMKDXBEWCKGX-ZMSDIMECSA-N 1 0 375.296 2.186 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccsc2)C[C@H]1C(F)(F)F ZINC000872185594 654316621 /nfs/dbraw/zinc/31/66/21/654316621.db2.gz BWTRQXBJSDKBDI-JHJVBQTASA-N 1 0 375.416 2.007 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000872188163 654316660 /nfs/dbraw/zinc/31/66/60/654316660.db2.gz QJLHIOKHWYFHLB-UHFFFAOYSA-N 1 0 390.347 2.447 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000872187959 654316678 /nfs/dbraw/zinc/31/66/78/654316678.db2.gz MZTPILJUFLXZNI-UHFFFAOYSA-N 1 0 390.347 2.447 20 0 GEADRO CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000872203409 654317016 /nfs/dbraw/zinc/31/70/16/654317016.db2.gz XUWVTDMTGNQHMD-VXGBXAGGSA-N 1 0 381.826 2.444 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000872218378 654317463 /nfs/dbraw/zinc/31/74/63/654317463.db2.gz MXOANHCJIWLUCI-STQMWFEESA-N 1 0 377.312 2.168 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccsc2S1(=O)=O ZINC000891908552 654317517 /nfs/dbraw/zinc/31/75/17/654317517.db2.gz FOQGCEOENBVQEU-AIUMHDJVSA-N 1 0 383.539 2.185 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000834341661 654317714 /nfs/dbraw/zinc/31/77/14/654317714.db2.gz ZDSQRIOWMBJGAE-STQMWFEESA-N 1 0 387.933 2.085 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000872235019 654318421 /nfs/dbraw/zinc/31/84/21/654318421.db2.gz MFIQCCZLOVGSBR-KRWDZBQOSA-N 1 0 386.876 2.253 20 0 GEADRO Brc1cccc(-n2ncc3c2ncnc3N2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000891928420 654318991 /nfs/dbraw/zinc/31/89/91/654318991.db2.gz ARMPVMRCTVJLIN-RYUDHWBXSA-N 1 0 385.269 2.234 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1c(Br)cncc1Br ZINC000891929512 654319055 /nfs/dbraw/zinc/31/90/55/654319055.db2.gz LICCISHQRWVXAP-JGVFFNPUSA-N 1 0 392.095 2.238 20 0 GEADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(Br)c[nH]1 ZINC000921767448 654319945 /nfs/dbraw/zinc/31/99/45/654319945.db2.gz RLYKOAYLKQZHJY-LSDHHAIUSA-N 1 0 379.302 2.145 20 0 GEADRO CC(=O)N[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccc(Br)c1 ZINC000872263874 654320405 /nfs/dbraw/zinc/32/04/05/654320405.db2.gz MOHXBENYIJCJLK-RYQLBKOJSA-N 1 0 394.313 2.084 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccc(Br)c1 ZINC000872263873 654320415 /nfs/dbraw/zinc/32/04/15/654320415.db2.gz MOHXBENYIJCJLK-NXHRZFHOSA-N 1 0 394.313 2.084 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)ccc1Cl ZINC000872270520 654320833 /nfs/dbraw/zinc/32/08/33/654320833.db2.gz PHXANESIABMSJN-CYBMUJFWSA-N 1 0 387.933 2.098 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@]13C[C@H]1C[C@H]([NH3+])C3)C2 ZINC000872306385 654322104 /nfs/dbraw/zinc/32/21/04/654322104.db2.gz IBJVWNFBNZOCAX-KUTMEBCESA-N 1 0 385.283 2.267 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000804812355 654322210 /nfs/dbraw/zinc/32/22/10/654322210.db2.gz MRWNFYOZWBNNBY-UHFFFAOYSA-N 1 0 387.285 2.446 20 0 GEADRO O=C(NCc1ccc(Br)s1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892006911 654323491 /nfs/dbraw/zinc/32/34/91/654323491.db2.gz ASBGWNMVPGUBJA-STQMWFEESA-N 1 0 388.331 2.251 20 0 GEADRO O=C(NCc1csc(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892034682 654326112 /nfs/dbraw/zinc/32/61/12/654326112.db2.gz RIDDTEZABIYWNL-STQMWFEESA-N 1 0 388.331 2.251 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905006116 654326478 /nfs/dbraw/zinc/32/64/78/654326478.db2.gz HXGQMDIRRFIIDY-RDTXWAMCSA-N 1 0 394.313 2.056 20 0 GEADRO C[C@](O)(C[NH2+]Cc1cccc(NS(C)(=O)=O)c1)C(F)(F)C(F)(F)F ZINC000905029413 654327148 /nfs/dbraw/zinc/32/71/48/654327148.db2.gz BKBWDGYMBWJNFH-NSHDSACASA-N 1 0 376.347 2.096 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1csc(I)n1 ZINC000834476353 654328356 /nfs/dbraw/zinc/32/83/56/654328356.db2.gz WAGQGJDRPIRGPZ-JTQLQIEISA-N 1 0 391.278 2.494 20 0 GEADRO O=C(CC[NH2+]C[C@@H](O)CC1(O)CCCC1)Nc1ccc(Br)cc1 ZINC000905060968 654328651 /nfs/dbraw/zinc/32/86/51/654328651.db2.gz ZPYOIAHRLXXKOY-HNNXBMFYSA-N 1 0 385.302 2.423 20 0 GEADRO O[C@H](CCC1(O)CCC1)C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000905067197 654329062 /nfs/dbraw/zinc/32/90/62/654329062.db2.gz YTFIPNNPEGNPED-CYBMUJFWSA-N 1 0 386.286 2.366 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccc(Cl)cc1 ZINC000905063207 654329079 /nfs/dbraw/zinc/32/90/79/654329079.db2.gz VVQZDCMHLFRQAC-OAHLLOKOSA-N 1 0 375.918 2.150 20 0 GEADRO O=C(NCC[NH2+]C[C@@H](O)CC1(CO)CCCC1)c1cccc(Br)c1 ZINC000905078267 654329438 /nfs/dbraw/zinc/32/94/38/654329438.db2.gz CLIHTAVSBPWIBJ-INIZCTEOSA-N 1 0 399.329 2.072 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1(O)CCOCC1 ZINC000905079229 654329539 /nfs/dbraw/zinc/32/95/39/654329539.db2.gz ITWIWVNCUAJZAQ-ZDUSSCGKSA-N 1 0 396.228 2.043 20 0 GEADRO COCC1(CNC(=O)NCCc2sccc2Br)CC[NH2+]CC1 ZINC000892114539 654329640 /nfs/dbraw/zinc/32/96/40/654329640.db2.gz YYEQPWXLHSSLGU-UHFFFAOYSA-N 1 0 390.347 2.369 20 0 GEADRO O=C(NCCC[NH2+]C[C@H](O)CC1(O)CCCC1)c1ccc(Br)cc1 ZINC000905088272 654329721 /nfs/dbraw/zinc/32/97/21/654329721.db2.gz IPXVSGFJDIWTRN-MRXNPFEDSA-N 1 0 399.329 2.215 20 0 GEADRO O=C(NCCC[NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccc(Br)cc1 ZINC000905086538 654329962 /nfs/dbraw/zinc/32/99/62/654329962.db2.gz DICAPVBPXULQQA-INIZCTEOSA-N 1 0 399.329 2.215 20 0 GEADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1nc(Br)cs1 ZINC000834501425 654330942 /nfs/dbraw/zinc/33/09/42/654330942.db2.gz AYXXNYFWMKGWBL-VIFPVBQESA-N 1 0 390.328 2.446 20 0 GEADRO CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834507711 654331389 /nfs/dbraw/zinc/33/13/89/654331389.db2.gz CNLGUTOYLSUOJG-CABCVRRESA-N 1 0 377.551 2.036 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892156585 654331572 /nfs/dbraw/zinc/33/15/72/654331572.db2.gz LEEYDNLYNMALAC-RUZUBIRVSA-N 1 0 386.240 2.384 20 0 GEADRO COC[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000892156972 654331677 /nfs/dbraw/zinc/33/16/77/654331677.db2.gz TYXWCQYNLQFABH-QWHCGFSZSA-N 1 0 392.244 2.433 20 0 GEADRO C[C@](O)(C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)C(F)F ZINC000905132668 654333527 /nfs/dbraw/zinc/33/35/27/654333527.db2.gz BEENXNDUJPHQPJ-HNNXBMFYSA-N 1 0 382.498 2.071 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872437386 654335084 /nfs/dbraw/zinc/33/50/84/654335084.db2.gz IJPMMHZQAVHKNW-AQKDONEWSA-N 1 0 381.608 2.475 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Cl)ncc2Br)C1 ZINC000834564691 654335343 /nfs/dbraw/zinc/33/53/43/654335343.db2.gz NSLWIFHRWHKMQZ-CQSZACIVSA-N 1 0 376.682 2.026 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905164807 654335355 /nfs/dbraw/zinc/33/53/55/654335355.db2.gz IUTWWDCKZVWYDE-KFNAQCHYSA-N 1 0 376.266 2.011 20 0 GEADRO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1nc(Br)cs1 ZINC000834578342 654336304 /nfs/dbraw/zinc/33/63/04/654336304.db2.gz LUJLJWLOHMGVRT-LLVKDONJSA-N 1 0 389.363 2.499 20 0 GEADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@H]2CSCCS2)CCN1C(=O)OC(C)(C)C ZINC000834616488 654338344 /nfs/dbraw/zinc/33/83/44/654338344.db2.gz OXAHNFMNXZYKTE-RDBSUJKOSA-N 1 0 390.571 2.366 20 0 GEADRO O=S(=O)(c1cccc(Br)n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000872451725 654339680 /nfs/dbraw/zinc/33/96/80/654339680.db2.gz OZLPQCVPQVYDRN-ZDUSSCGKSA-N 1 0 388.331 2.483 20 0 GEADRO C[NH+]1CCN(c2cc(-c3noc(C[C@@H]4CSCCS4)n3)ccn2)CC1 ZINC000854084150 654339789 /nfs/dbraw/zinc/33/97/89/654339789.db2.gz DDOMQBRBUDNURA-CQSZACIVSA-N 1 0 377.539 2.275 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC[C@@H]1[NH3+] ZINC000834647834 654340967 /nfs/dbraw/zinc/34/09/67/654340967.db2.gz RGWOVXUWORLCSS-WBMJQRKESA-N 1 0 385.917 2.079 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C[C@@]1(O)CCOC1 ZINC000905231459 654342026 /nfs/dbraw/zinc/34/20/26/654342026.db2.gz PPXHRFFROXNPGD-VKJFTORMSA-N 1 0 389.323 2.454 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@H]2CCCC(F)(F)C2)CCC1 ZINC000905249675 654344467 /nfs/dbraw/zinc/34/44/67/654344467.db2.gz ZSRXBTADPWJRHR-UONOGXRCSA-N 1 0 382.517 2.403 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000892408292 654344588 /nfs/dbraw/zinc/34/45/88/654344588.db2.gz OUTPMSUVIFQHGF-INIZCTEOSA-N 1 0 394.317 2.247 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]C[C@@H]2CCCC(F)(F)C2)CCC1 ZINC000905249674 654344600 /nfs/dbraw/zinc/34/46/00/654344600.db2.gz ZSRXBTADPWJRHR-KGLIPLIRSA-N 1 0 382.517 2.403 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872464315 654345536 /nfs/dbraw/zinc/34/55/36/654345536.db2.gz ULGNIIVUPQIFPV-CYBMUJFWSA-N 1 0 385.917 2.330 20 0 GEADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000892426321 654345661 /nfs/dbraw/zinc/34/56/61/654345661.db2.gz FOBLYYAHVFNBOZ-MUQADHOPSA-N 1 0 376.298 2.482 20 0 GEADRO O=C(NCC12CCC[NH+]1CCC2)c1csc(I)n1 ZINC000834751981 654346436 /nfs/dbraw/zinc/34/64/36/654346436.db2.gz IKPDONLSSQOJPU-UHFFFAOYSA-N 1 0 377.251 2.106 20 0 GEADRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000905271377 654346715 /nfs/dbraw/zinc/34/67/15/654346715.db2.gz CIHQNZMQJJRPSB-DLBZAZTESA-N 1 0 395.297 2.075 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]C[C@H]2CCCCC2(F)F)CCC1 ZINC000905273077 654346788 /nfs/dbraw/zinc/34/67/88/654346788.db2.gz KCDJMSGWIQTNLK-KGLIPLIRSA-N 1 0 382.517 2.403 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H](O)CC2(O)CCCC2)c1 ZINC000905287014 654347762 /nfs/dbraw/zinc/34/77/62/654347762.db2.gz VOAMSZVSJPXEEM-HNNXBMFYSA-N 1 0 375.918 2.279 20 0 GEADRO O=C(NCc1nc(CC2CC[NH2+]CC2)no1)c1cccc(Br)c1 ZINC000905318082 654350426 /nfs/dbraw/zinc/35/04/26/654350426.db2.gz MCMFGHPBOZNJCF-UHFFFAOYSA-N 1 0 379.258 2.304 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCC1(c2cccc(Br)c2)CC1 ZINC000905340551 654351680 /nfs/dbraw/zinc/35/16/80/654351680.db2.gz ZJQQBUPRABGZGZ-UHFFFAOYSA-N 1 0 387.343 2.400 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000834829425 654351626 /nfs/dbraw/zinc/35/16/26/654351626.db2.gz AVVGLUBNTBOHNI-CYBMUJFWSA-N 1 0 397.875 2.083 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H](CC[NH3+])C(F)F)ccc1Cl ZINC000834831846 654352225 /nfs/dbraw/zinc/35/22/25/654352225.db2.gz STWVOFFJKNDLQE-LLVKDONJSA-N 1 0 397.875 2.129 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)c2nscc2I)CC1 ZINC000905344327 654352187 /nfs/dbraw/zinc/35/21/87/654352187.db2.gz FLFYJTNVWOUYGS-UHFFFAOYSA-N 1 0 379.267 2.350 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000905355313 654352538 /nfs/dbraw/zinc/35/25/38/654352538.db2.gz BZBROIXMULHCDA-CQSZACIVSA-N 1 0 377.432 2.499 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000905356363 654352545 /nfs/dbraw/zinc/35/25/45/654352545.db2.gz AIDUMEUUSVSITM-HNNXBMFYSA-N 1 0 376.906 2.174 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000905356977 654352936 /nfs/dbraw/zinc/35/29/36/654352936.db2.gz SKBLJNNRWGHGPU-AWEZNQCLSA-N 1 0 377.432 2.499 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834850845 654353291 /nfs/dbraw/zinc/35/32/91/654353291.db2.gz QPRJFYADIGORAX-UKRRQHHQSA-N 1 0 376.469 2.180 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834850852 654353348 /nfs/dbraw/zinc/35/33/48/654353348.db2.gz QUEWWVAQFHIQOP-HIFRSBDPSA-N 1 0 376.469 2.180 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cccn2c(I)cnc12 ZINC000834849737 654353380 /nfs/dbraw/zinc/35/33/80/654353380.db2.gz ZDFGQIOUCRAKLN-LLVKDONJSA-N 1 0 398.248 2.201 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCc1ccc(Br)c(F)c1F ZINC000905363113 654353425 /nfs/dbraw/zinc/35/34/25/654353425.db2.gz ZMANDYBCRAOPJS-UHFFFAOYSA-N 1 0 383.258 2.146 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000905360580 654353463 /nfs/dbraw/zinc/35/34/63/654353463.db2.gz VVPXXQHCRCRBLT-ARFHVFGLSA-N 1 0 385.327 2.006 20 0 GEADRO CN(C)C(=O)COc1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892612490 654353492 /nfs/dbraw/zinc/35/34/92/654353492.db2.gz JTSMGRVXLGMZMS-UHFFFAOYSA-N 1 0 394.269 2.307 20 0 GEADRO OC[C@H](C[NH2+]C[C@H](O)CCC1(O)CCC1)Cc1ccccc1Br ZINC000905366904 654353638 /nfs/dbraw/zinc/35/36/38/654353638.db2.gz QALBCBFBSVNDDE-GOEBONIOSA-N 1 0 386.330 2.246 20 0 GEADRO CC[C@@](O)(C[NH2+]C[C@H](O)COc1ccccc1Br)C(F)(F)F ZINC000905367095 654353767 /nfs/dbraw/zinc/35/37/67/654353767.db2.gz IFZQRGDQTIOYFN-GXFFZTMASA-N 1 0 386.208 2.482 20 0 GEADRO C[C@](O)(C[NH2+]C[C@@H](CO)Cc1ccncc1Cl)C(F)(F)C(F)(F)F ZINC000905370394 654354177 /nfs/dbraw/zinc/35/41/77/654354177.db2.gz DIRIHOGMTJNEFD-CABZTGNLSA-N 1 0 376.753 2.424 20 0 GEADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]CCC2SCCS2)CC1 ZINC000905379692 654354496 /nfs/dbraw/zinc/35/44/96/654354496.db2.gz DVYDDURFIHKRLV-UUCFBXCCSA-N 1 0 377.572 2.008 20 0 GEADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]CCC2SCCS2)CC1 ZINC000905379693 654354641 /nfs/dbraw/zinc/35/46/41/654354641.db2.gz DVYDDURFIHKRLV-XOYHFGRZSA-N 1 0 377.572 2.008 20 0 GEADRO Cc1c(C(=O)NCC[NH+]2CCCC2)nnn1-c1ccccc1Br ZINC000905384658 654354871 /nfs/dbraw/zinc/35/48/71/654354871.db2.gz MERAYNQHEWMQRJ-UHFFFAOYSA-N 1 0 378.274 2.164 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834879075 654355181 /nfs/dbraw/zinc/35/51/81/654355181.db2.gz PPKNRWBGZXPZLK-ILXRZTDVSA-N 1 0 377.551 2.082 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000854357310 654355822 /nfs/dbraw/zinc/35/58/22/654355822.db2.gz YZSCGMMRFWMBAV-UHFFFAOYSA-N 1 0 380.242 2.046 20 0 GEADRO C[C@H](OC[C@H](O)C[NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000905432832 654357122 /nfs/dbraw/zinc/35/71/22/654357122.db2.gz SJLAFFIPJWSJJM-XKQJLSEDSA-N 1 0 375.918 2.335 20 0 GEADRO O=C(CC[NH2+]CC[C@@H]1CCCS1(=O)=O)Nc1ccc(Br)cc1 ZINC000905432556 654357159 /nfs/dbraw/zinc/35/71/59/654357159.db2.gz QEOIFADKNNETPN-AWEZNQCLSA-N 1 0 389.315 2.335 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)COCc1ccccc1Cl ZINC000905447790 654357817 /nfs/dbraw/zinc/35/78/17/654357817.db2.gz UXDPYKDGJIAFDI-ZYHUDNBSSA-N 1 0 377.737 2.366 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000835035941 654358466 /nfs/dbraw/zinc/35/84/66/654358466.db2.gz LRSNOKOPGUTBNM-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000905507363 654361986 /nfs/dbraw/zinc/36/19/86/654361986.db2.gz CTOKFPJWGSHUHN-GULBITTBSA-N 1 0 375.918 2.273 20 0 GEADRO CCO[C@H](CNC(=O)NCc1ccc(Br)cc1OC)C[NH+](C)C ZINC000922072215 654363056 /nfs/dbraw/zinc/36/30/56/654363056.db2.gz DSKBGDVHJALEJP-CQSZACIVSA-N 1 0 388.306 2.224 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000892768832 654363345 /nfs/dbraw/zinc/36/33/45/654363345.db2.gz UZEAJKKNERGFLL-IVZWLZJFSA-N 1 0 378.313 2.165 20 0 GEADRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892772853 654363630 /nfs/dbraw/zinc/36/36/30/654363630.db2.gz SCDMNACQFVJRBP-YXJHDRRASA-N 1 0 386.945 2.126 20 0 GEADRO COC(=O)CC1CC([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000905528995 654363965 /nfs/dbraw/zinc/36/39/65/654363965.db2.gz LBDFQPCTTJUAEZ-UHFFFAOYSA-N 1 0 390.299 2.154 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000854489312 654364440 /nfs/dbraw/zinc/36/44/40/654364440.db2.gz LOGPAQOWRSFCJD-UHFFFAOYSA-N 1 0 388.354 2.014 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892817573 654364900 /nfs/dbraw/zinc/36/49/00/654364900.db2.gz FFEWHMXSWAQJDZ-NEPJUHHUSA-N 1 0 389.315 2.191 20 0 GEADRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000872529599 654364912 /nfs/dbraw/zinc/36/49/12/654364912.db2.gz JYCBCTVPEXZZGW-UHFFFAOYSA-N 1 0 391.335 2.201 20 0 GEADRO S=C(Nc1ccccc1Cl)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905555430 654365915 /nfs/dbraw/zinc/36/59/15/654365915.db2.gz JJJMFLPZZJASKY-HNNXBMFYSA-N 1 0 382.961 2.423 20 0 GEADRO CC(C)O[C@]1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCOC1 ZINC000905557456 654366259 /nfs/dbraw/zinc/36/62/59/654366259.db2.gz OHHHJYZJFZFVLB-RDJZCZTQSA-N 1 0 388.302 2.363 20 0 GEADRO CC(C)([NH3+])CCNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000892851281 654366811 /nfs/dbraw/zinc/36/68/11/654366811.db2.gz SISBGIRRPBBYKN-NSHDSACASA-N 1 0 390.297 2.166 20 0 GEADRO CCn1c(C[NH2+][C@H]2CCC(=O)N[C@H]2C)nc(Br)c1Br ZINC000922099897 654367327 /nfs/dbraw/zinc/36/73/27/654367327.db2.gz NUVWPXBUYQWNJI-YUMQZZPRSA-N 1 0 394.111 2.185 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cnn(C2CCC2)c1)c1ccc(F)cc1Cl ZINC000922109280 654368204 /nfs/dbraw/zinc/36/82/04/654368204.db2.gz ORQKYGQAPDSELI-UHFFFAOYSA-N 1 0 386.880 2.469 20 0 GEADRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)CCOCCO ZINC000922110031 654368290 /nfs/dbraw/zinc/36/82/90/654368290.db2.gz VUTCFJRKJGDCJG-UONOGXRCSA-N 1 0 375.296 2.154 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000892874981 654368608 /nfs/dbraw/zinc/36/86/08/654368608.db2.gz BPFBNZBQDNYQTB-GUTXKFCHSA-N 1 0 387.343 2.441 20 0 GEADRO C[C@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)C[C@@H](CC(F)(F)F)O1 ZINC000892877494 654368622 /nfs/dbraw/zinc/36/86/22/654368622.db2.gz GTEQHTRZSGVPFM-VHSXEESVSA-N 1 0 378.420 2.122 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000835179378 654368791 /nfs/dbraw/zinc/36/87/91/654368791.db2.gz RROZIBIMMNVGOC-NSHDSACASA-N 1 0 385.306 2.184 20 0 GEADRO Cc1cc(Br)cc(Cl)c1C(=O)NCC[N@@H+](C)CCOCCO ZINC000922117080 654369030 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Cn1cc(I)c(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)n1 ZINC000922163000 654372617 /nfs/dbraw/zinc/37/26/17/654372617.db2.gz XUWXGQBJKLOJJS-IJLUTSLNSA-N 1 0 375.254 2.320 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1ccc(C(F)F)c(F)c1)NC[C@@H]1CCCCO1 ZINC000892976834 654373511 /nfs/dbraw/zinc/37/35/11/654373511.db2.gz ITKNGGNLKNJGFV-ZDUSSCGKSA-N 1 0 380.432 2.341 20 0 GEADRO Cc1c(Cl)c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)sc1S(N)(=O)=O ZINC000922172761 654373648 /nfs/dbraw/zinc/37/36/48/654373648.db2.gz RQKHFFHNEWGZAR-UHFFFAOYSA-N 1 0 391.946 2.058 20 0 GEADRO NS(=O)(=O)c1ccc(CCC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000905686014 654373959 /nfs/dbraw/zinc/37/39/59/654373959.db2.gz HAYSERRGVYBFND-KRWDZBQOSA-N 1 0 382.913 2.113 20 0 GEADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1ccc(Br)cc1=O ZINC000893006755 654375710 /nfs/dbraw/zinc/37/57/10/654375710.db2.gz FVGAZYTYAAOTBT-ZFWWWQNUSA-N 1 0 384.318 2.332 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)c2csc(I)n2)CC1 ZINC000854963540 654391526 /nfs/dbraw/zinc/39/15/26/654391526.db2.gz OSXWKOMIQZQJOY-UHFFFAOYSA-N 1 0 379.267 2.350 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C[NH+](C)C)C2)c1 ZINC000854723077 654379212 /nfs/dbraw/zinc/37/92/12/654379212.db2.gz PWZRHAWVUVOCQD-UHFFFAOYSA-N 1 0 387.933 2.003 20 0 GEADRO [NH3+]C1CCN(Cc2cn(CC(=O)Nc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000905784405 654379638 /nfs/dbraw/zinc/37/96/38/654379638.db2.gz ZXXVRGPGBIZHBT-UHFFFAOYSA-N 1 0 383.283 2.147 20 0 GEADRO CC(C)[NH2+]Cc1cn(CC(=O)Nc2c(F)cc(F)cc2Br)nn1 ZINC000905791171 654379908 /nfs/dbraw/zinc/37/99/08/654379908.db2.gz VCSRZLZKLAXQNL-UHFFFAOYSA-N 1 0 388.216 2.456 20 0 GEADRO OC[C@]1([NH2+]Cc2cnc3n2CCOC3)CCc2cc(Br)ccc2C1 ZINC000922284914 654381264 /nfs/dbraw/zinc/38/12/64/654381264.db2.gz ULCUMLVAFZYCMQ-SFHVURJKSA-N 1 0 392.297 2.185 20 0 GEADRO COc1ccc(Cn2cc(CN3CCC([NH3+])CC3)nn2)c(Br)c1 ZINC000905808215 654381394 /nfs/dbraw/zinc/38/13/94/654381394.db2.gz QICUGACQEWFELD-UHFFFAOYSA-N 1 0 380.290 2.021 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000922291625 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2.269 20 0 GEADRO O=S1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000893143415 654385475 /nfs/dbraw/zinc/38/54/75/654385475.db2.gz YVVOAYPDGPHKAZ-UHFFFAOYSA-N 1 0 387.343 2.286 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(Br)c1 ZINC000872661778 654386770 /nfs/dbraw/zinc/38/67/70/654386770.db2.gz BXIDDNLTPFARDJ-UONOGXRCSA-N 1 0 389.315 2.315 20 0 GEADRO C[N@H+](CCCCNC(=O)c1csc(I)n1)C1CC1 ZINC000854900599 654388635 /nfs/dbraw/zinc/38/86/35/654388635.db2.gz QZGPVJIVXBPAFY-UHFFFAOYSA-N 1 0 379.267 2.352 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N[C@@](C)(CO)c2cccc(Br)c2)CC[N@@H+]1C ZINC000893221086 654390295 /nfs/dbraw/zinc/39/02/95/654390295.db2.gz MRDQCJMKQXZGRN-PVUWLOKVSA-N 1 0 384.318 2.439 20 0 GEADRO Cc1cc(C[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)ncc1Br ZINC000922406661 654390919 /nfs/dbraw/zinc/39/09/19/654390919.db2.gz QTRFHDXAKDBKFA-YOEHRIQHSA-N 1 0 392.301 2.338 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)COc1cccc(Cl)c1Cl ZINC000905917998 654391132 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CC[C@H](C[NH2+]Cc1c(I)cnn1C)C(=O)OC(C)(C)C ZINC000922601015 654402733 /nfs/dbraw/zinc/40/27/33/654402733.db2.gz ZTSMLHBZRAPLEW-SNVBAGLBSA-N 1 0 393.269 2.482 20 0 GEADRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922636924 654405565 /nfs/dbraw/zinc/40/55/65/654405565.db2.gz WHCIWQJORVVNLP-UHFFFAOYSA-N 1 0 392.294 2.487 20 0 GEADRO Fc1ccc(I)c(F)c1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922726264 654410221 /nfs/dbraw/zinc/41/02/21/654410221.db2.gz SBEWRESDUBWVJZ-ZDMBXUJBSA-N 1 0 395.187 2.463 20 0 GEADRO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000906056752 654410526 /nfs/dbraw/zinc/41/05/26/654410526.db2.gz ACHCQUOPCXUVCQ-LFPIHBKWSA-N 1 0 389.543 2.182 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873023440 654410726 /nfs/dbraw/zinc/41/07/26/654410726.db2.gz YEJOFMIAQSGHPM-UHFFFAOYSA-N 1 0 380.798 2.275 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000873030623 654411011 /nfs/dbraw/zinc/41/10/11/654411011.db2.gz JTEPYMZZYDKWBA-CYBMUJFWSA-N 1 0 389.315 2.253 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000873030624 654411070 /nfs/dbraw/zinc/41/10/70/654411070.db2.gz JTEPYMZZYDKWBA-ZDUSSCGKSA-N 1 0 389.315 2.253 20 0 GEADRO CCO[C@H](CNCc1cn(-c2ccccc2Br)nn1)C[NH+](C)C ZINC000922754685 654411957 /nfs/dbraw/zinc/41/19/57/654411957.db2.gz RRRZPEBTHMOZLL-CQSZACIVSA-N 1 0 382.306 2.086 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000922768698 654412210 /nfs/dbraw/zinc/41/22/10/654412210.db2.gz LFJJYHBBLLEMHX-UHFFFAOYSA-N 1 0 382.306 2.397 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922801850 654414148 /nfs/dbraw/zinc/41/41/48/654414148.db2.gz JMZOQFWRQVDMKS-UHFFFAOYSA-N 1 0 389.095 2.421 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@]1(C)CCCCO1 ZINC000922816964 654414939 /nfs/dbraw/zinc/41/49/39/654414939.db2.gz LTSWZCDOLLUSJG-BBRMVZONSA-N 1 0 375.922 2.253 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C(F)(F)F ZINC000873106678 654415656 /nfs/dbraw/zinc/41/56/56/654415656.db2.gz JPORDIXTXBNEOQ-SVRRBLITSA-N 1 0 385.720 2.152 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000906091000 654416151 /nfs/dbraw/zinc/41/61/51/654416151.db2.gz XHHWZDXGRVJQKB-LBPRGKRZSA-N 1 0 396.702 2.038 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)CC(F)F ZINC000922850196 654416851 /nfs/dbraw/zinc/41/68/51/654416851.db2.gz JIDIHXGVVIUBTC-FOIKRFTLSA-N 1 0 382.473 2.233 20 0 GEADRO CS(=O)(=O)CCCC[NH2+]Cc1cccc(F)c1I ZINC000873133056 654417882 /nfs/dbraw/zinc/41/78/82/654417882.db2.gz BQDAVRCTXBITPQ-UHFFFAOYSA-N 1 0 385.242 2.345 20 0 GEADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000855414870 654418199 /nfs/dbraw/zinc/41/81/99/654418199.db2.gz CSWUPDCXHANVKG-LLVKDONJSA-N 1 0 391.331 2.313 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Br)cnc1Cl ZINC000855416612 654418301 /nfs/dbraw/zinc/41/83/01/654418301.db2.gz PHQXMAPCCVNYQP-UHFFFAOYSA-N 1 0 377.714 2.111 20 0 GEADRO Cn1c2ccccc2c(Br)c1C[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873150169 654418735 /nfs/dbraw/zinc/41/87/35/654418735.db2.gz YUFAQFWJWSTCPK-KRWDZBQOSA-N 1 0 394.269 2.252 20 0 GEADRO CC1(C)CO[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000873153150 654418869 /nfs/dbraw/zinc/41/88/69/654418869.db2.gz BKZKHEDRNPUBIW-NSHDSACASA-N 1 0 377.304 2.001 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]CCOC(F)(F)C(F)(F)F)ccc1Cl ZINC000873158199 654419700 /nfs/dbraw/zinc/41/97/00/654419700.db2.gz DMBPNUHCTOOSSE-UHFFFAOYSA-N 1 0 382.738 2.249 20 0 GEADRO CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000855490467 654421489 /nfs/dbraw/zinc/42/14/89/654421489.db2.gz JTJKKYMIGJIEPS-ZDUSSCGKSA-N 1 0 387.933 2.147 20 0 GEADRO Brc1ccc2ncc(C[NH2+]C[C@H]3CCN3C3CCOCC3)n2c1 ZINC000922950673 654421647 /nfs/dbraw/zinc/42/16/47/654421647.db2.gz OLVUUTVTSNORTO-OAHLLOKOSA-N 1 0 379.302 2.440 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000906213966 654421921 /nfs/dbraw/zinc/42/19/21/654421921.db2.gz BQYPHMFJGDLAGI-UHFFFAOYSA-N 1 0 382.917 2.489 20 0 GEADRO CN(C(=O)c1cc(Br)cc2c1OCCO2)c1cc(C[NH3+])ccn1 ZINC000906227954 654422872 /nfs/dbraw/zinc/42/28/72/654422872.db2.gz QZSPWGHFKYRZLJ-UHFFFAOYSA-N 1 0 378.226 2.351 20 0 GEADRO Cn1nnc2c1C[C@H]([NH2+]Cc1cn(-c3cccc(Cl)c3Cl)nn1)CC2 ZINC000922993376 654423522 /nfs/dbraw/zinc/42/35/22/654423522.db2.gz IOBYUPYNARDBHX-SNVBAGLBSA-N 1 0 378.267 2.350 20 0 GEADRO CNC(=O)c1ccc(Cl)c(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873303822 654424080 /nfs/dbraw/zinc/42/40/80/654424080.db2.gz KWRDCFJNPONHOF-ZJUUUORDSA-N 1 0 378.782 2.301 20 0 GEADRO Cc1[nH+]ccc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1Br ZINC000893817334 654424738 /nfs/dbraw/zinc/42/47/38/654424738.db2.gz QQMPZXVONNIGAZ-GFCCVEGCSA-N 1 0 376.320 2.260 20 0 GEADRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(I)s2)C12CCOCC2 ZINC000923019644 654424754 /nfs/dbraw/zinc/42/47/54/654424754.db2.gz MLDYVAGQXIIUGO-MNOVXSKESA-N 1 0 379.263 2.372 20 0 GEADRO O[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C12CCOCC2 ZINC000923020777 654425249 /nfs/dbraw/zinc/42/52/49/654425249.db2.gz PHZFIBVNBWUHJN-LSDHHAIUSA-N 1 0 384.270 2.240 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)n1 ZINC000893828472 654426239 /nfs/dbraw/zinc/42/62/39/654426239.db2.gz LWRVSWRXYBNONW-NWDGAFQWSA-N 1 0 383.290 2.479 20 0 GEADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1nscc1I ZINC000906327485 654427633 /nfs/dbraw/zinc/42/76/33/654427633.db2.gz SIRUCJQWEXBVLD-UHFFFAOYSA-N 1 0 391.278 2.352 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000855639837 654430733 /nfs/dbraw/zinc/43/07/33/654430733.db2.gz NWGIMYAOIYSDII-UHFFFAOYSA-N 1 0 387.933 2.003 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cn(C2CC2)c1=O ZINC000906362167 654431001 /nfs/dbraw/zinc/43/10/01/654431001.db2.gz QCCDYAMFPKQIED-LLVKDONJSA-N 1 0 380.286 2.160 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000894045623 654442178 /nfs/dbraw/zinc/44/21/78/654442178.db2.gz HJKQTYKHYVXHLL-UHFFFAOYSA-N 1 0 382.302 2.362 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1c(I)cnn1C ZINC000894052891 654442702 /nfs/dbraw/zinc/44/27/02/654442702.db2.gz DKOXZNQYGPHPLB-LBPRGKRZSA-N 1 0 376.286 2.331 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000923313964 654443227 /nfs/dbraw/zinc/44/32/27/654443227.db2.gz NZMHTWPYMYRWQZ-QWHCGFSZSA-N 1 0 391.269 2.218 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000923316737 654443608 /nfs/dbraw/zinc/44/36/08/654443608.db2.gz RWPGZWCERYBYQA-UONOGXRCSA-N 1 0 380.286 2.254 20 0 GEADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000923355208 654446000 /nfs/dbraw/zinc/44/60/00/654446000.db2.gz HPOVJIKCGKLPLT-HIFRSBDPSA-N 1 0 385.295 2.113 20 0 GEADRO CC[NH+]1CCC(N(C)C(=O)c2nscc2I)CC1 ZINC000906521205 654446214 /nfs/dbraw/zinc/44/62/14/654446214.db2.gz RWCBIMHQZNZIRW-UHFFFAOYSA-N 1 0 379.267 2.304 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2nn(C(C)C)cc2Br)CC1 ZINC000906520297 654446287 /nfs/dbraw/zinc/44/62/87/654446287.db2.gz CYHJSKLQMIVLFF-UHFFFAOYSA-N 1 0 387.322 2.457 20 0 GEADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000923357623 654446415 /nfs/dbraw/zinc/44/64/15/654446415.db2.gz ZBEXSPPNXSMCFM-HIFRSBDPSA-N 1 0 385.295 2.113 20 0 GEADRO Cn1nc(Br)nc1CNc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000894122629 654448673 /nfs/dbraw/zinc/44/86/73/654448673.db2.gz VVHPHOOIUHOVEI-UHFFFAOYSA-N 1 0 381.278 2.080 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000873686116 654448734 /nfs/dbraw/zinc/44/87/34/654448734.db2.gz ZJFGSLHORDVRMJ-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1nscc1I ZINC000906568404 654449483 /nfs/dbraw/zinc/44/94/83/654449483.db2.gz ZJWLYDHPFIZZLQ-VIFPVBQESA-N 1 0 379.267 2.304 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923400018 654449740 /nfs/dbraw/zinc/44/97/40/654449740.db2.gz ULVPJMIRLNLQHA-ZBFHGGJFSA-N 1 0 375.282 2.258 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([NH2+]CCO)C2)c(Br)c1 ZINC000923404374 654450204 /nfs/dbraw/zinc/45/02/04/654450204.db2.gz IOIIWFPGEHNQRQ-UONOGXRCSA-N 1 0 384.318 2.131 20 0 GEADRO OCC[NH2+][C@@H]1CCCN(Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000923405073 654450263 /nfs/dbraw/zinc/45/02/63/654450263.db2.gz ALGYZZZMIDMAPU-CQSZACIVSA-N 1 0 385.302 2.157 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](OC)c2ccc(Br)s2)C1 ZINC000906597559 654452285 /nfs/dbraw/zinc/45/22/85/654452285.db2.gz NKDAHFASFXBLSW-SMDDNHRTSA-N 1 0 391.331 2.425 20 0 GEADRO Cc1cccc([C@H](C[NH2+]Cc2nc(Br)nn2C)N2CCOCC2)c1 ZINC000894174674 654452775 /nfs/dbraw/zinc/45/27/75/654452775.db2.gz XBOVMUBCZNRQMR-HNNXBMFYSA-N 1 0 394.317 2.049 20 0 GEADRO C[C@H](CNCc1c(I)cnn1C)[N@@H+]1CCCC[C@@H]1C ZINC000894175778 654452838 /nfs/dbraw/zinc/45/28/38/654452838.db2.gz LONANJAXGHYZIL-NWDGAFQWSA-N 1 0 376.286 2.377 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N1CCn2ncc(Br)c2C1 ZINC000856010115 654454596 /nfs/dbraw/zinc/45/45/96/654454596.db2.gz ADPZXHLCQBPOEF-UHFFFAOYSA-N 1 0 375.336 2.063 20 0 GEADRO C[C@@H](CNCc1c(I)cnn1C)C[NH+]1CCCCC1 ZINC000894195890 654454724 /nfs/dbraw/zinc/45/47/24/654454724.db2.gz OJIYSHFPGMHLEO-LBPRGKRZSA-N 1 0 376.286 2.236 20 0 GEADRO O=C(c1nscc1I)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000906775913 654471123 /nfs/dbraw/zinc/47/11/23/654471123.db2.gz XDHTXXPERCIYNZ-SNVBAGLBSA-N 1 0 391.278 2.306 20 0 GEADRO O=C(NCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccccc1 ZINC000894207253 654455656 /nfs/dbraw/zinc/45/56/56/654455656.db2.gz ORZJRYPWQDIZDT-UHFFFAOYSA-N 1 0 380.901 2.153 20 0 GEADRO O=C(CC[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Nc1ccccn1 ZINC000894207610 654455730 /nfs/dbraw/zinc/45/57/30/654455730.db2.gz UJWDDKZJJZDXOE-UHFFFAOYSA-N 1 0 381.889 2.147 20 0 GEADRO Cn1cc(C[NH2+]CCn2cnc3ccccc32)c(I)n1 ZINC000894207303 654455764 /nfs/dbraw/zinc/45/57/64/654455764.db2.gz QDEJTLVRCXZQAA-UHFFFAOYSA-N 1 0 381.221 2.164 20 0 GEADRO CCCC[NH+]1CCC(NCc2c(I)cnn2C)CC1 ZINC000894207765 654455773 /nfs/dbraw/zinc/45/57/73/654455773.db2.gz XWRPJPBAUPDWSE-UHFFFAOYSA-N 1 0 376.286 2.379 20 0 GEADRO COC(=O)[C@@H]1[C@@H](C[NH2+]CC(=O)Nc2ccc(Br)cc2C)C1(F)F ZINC000894209096 654456135 /nfs/dbraw/zinc/45/61/35/654456135.db2.gz NJEGJQIMBPXWPU-MFKMUULPSA-N 1 0 391.212 2.340 20 0 GEADRO CN(C(=O)c1nscc1I)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000906652271 654456793 /nfs/dbraw/zinc/45/67/93/654456793.db2.gz SPBQZPWCVDJNNX-SECBINFHSA-N 1 0 377.251 2.056 20 0 GEADRO Cn1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c(C2CC2)n1 ZINC000894231375 654457682 /nfs/dbraw/zinc/45/76/82/654457682.db2.gz OMTMXIXLQAQVCR-UHFFFAOYSA-N 1 0 382.917 2.409 20 0 GEADRO C[C@H]1CN(CC(=O)Nc2ccccc2I)CC[C@H]1C[NH3+] ZINC000923507911 654458086 /nfs/dbraw/zinc/45/80/86/654458086.db2.gz LDHGMAICILBUEB-RYUDHWBXSA-N 1 0 387.265 2.146 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNCc2cn(C)nc2I)C1 ZINC000894241087 654458397 /nfs/dbraw/zinc/45/83/97/654458397.db2.gz GNDNXMVVJIDZDZ-LBPRGKRZSA-N 1 0 376.286 2.235 20 0 GEADRO Cc1c(C(=O)NCCCC[NH+](C)C)nnn1-c1ccccc1Br ZINC000906675449 654459030 /nfs/dbraw/zinc/45/90/30/654459030.db2.gz XQPRDJDCOOHLKR-UHFFFAOYSA-N 1 0 380.290 2.410 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519265 654459174 /nfs/dbraw/zinc/45/91/74/654459174.db2.gz PVSJUDJCDBDULY-FRRDWIJNSA-N 1 0 399.276 2.160 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000906673137 654459323 /nfs/dbraw/zinc/45/93/23/654459323.db2.gz CGZKDIDUGHWEIZ-UHFFFAOYSA-N 1 0 392.301 2.444 20 0 GEADRO C[C@@H](CNC(=O)Cc1cc(Br)ccc1Cl)N1CC[NH+](C)CC1 ZINC000906684227 654459808 /nfs/dbraw/zinc/45/98/08/654459808.db2.gz YVFCVJGUKXKWJB-LBPRGKRZSA-N 1 0 388.737 2.397 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000906688563 654460126 /nfs/dbraw/zinc/46/01/26/654460126.db2.gz FTPFJRKCVDFPAV-UHFFFAOYSA-N 1 0 397.317 2.315 20 0 GEADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000906688601 654460274 /nfs/dbraw/zinc/46/02/74/654460274.db2.gz HAVPDIVQSOWONM-UHFFFAOYSA-N 1 0 383.290 2.006 20 0 GEADRO Cn1cc(C[NH2+][C@@](C)(CO)C2CCCCC2)c(I)n1 ZINC000894277538 654461587 /nfs/dbraw/zinc/46/15/87/654461587.db2.gz CXUHQKYIEFYVTA-AWEZNQCLSA-N 1 0 377.270 2.446 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000906699131 654461977 /nfs/dbraw/zinc/46/19/77/654461977.db2.gz CPAMORSTQZWPKV-LBPRGKRZSA-N 1 0 375.803 2.037 20 0 GEADRO Cn1cc(C[NH2+]C[C@@](C)(O)c2ccsc2)c(I)n1 ZINC000894285015 654462038 /nfs/dbraw/zinc/46/20/38/654462038.db2.gz UDYPVCRJRVUCNE-GFCCVEGCSA-N 1 0 377.251 2.084 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000906700778 654462489 /nfs/dbraw/zinc/46/24/89/654462489.db2.gz LOTZHJORPBQDJB-ZDUSSCGKSA-N 1 0 391.269 2.050 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@H]1OC ZINC000894287037 654462599 /nfs/dbraw/zinc/46/25/99/654462599.db2.gz KUPWSWBJPKWMDE-RRFJBIMHSA-N 1 0 381.416 2.391 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000923531312 654462668 /nfs/dbraw/zinc/46/26/68/654462668.db2.gz RFRROELLMNVFGQ-AWEZNQCLSA-N 1 0 382.306 2.399 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCc1cnc(Br)cn1 ZINC000923533046 654463175 /nfs/dbraw/zinc/46/31/75/654463175.db2.gz JBAZSRVHIRTPEP-KBPBESRZSA-N 1 0 382.306 2.397 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cnnn1-c1ccccc1Br ZINC000906710582 654463321 /nfs/dbraw/zinc/46/33/21/654463321.db2.gz OIQVZZMKEXYIQX-CYBMUJFWSA-N 1 0 392.301 2.444 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000906706745 654463422 /nfs/dbraw/zinc/46/34/22/654463422.db2.gz ATGABRLFBGKYOB-AWEZNQCLSA-N 1 0 398.349 2.079 20 0 GEADRO Cn1cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(I)n1 ZINC000906719574 654464253 /nfs/dbraw/zinc/46/42/53/654464253.db2.gz VCQOHCCSWMABNA-NSHDSACASA-N 1 0 392.285 2.121 20 0 GEADRO CCc1cnc(CC[NH2+]Cc2c(I)cnn2C)s1 ZINC000894315291 654464756 /nfs/dbraw/zinc/46/47/56/654464756.db2.gz OYDPIYXZRAQBGC-UHFFFAOYSA-N 1 0 376.267 2.376 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000906724229 654464754 /nfs/dbraw/zinc/46/47/54/654464754.db2.gz DZFWQBZKAMMBMU-BYCMXARLSA-N 1 0 396.285 2.184 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000894325962 654465667 /nfs/dbraw/zinc/46/56/67/654465667.db2.gz MQKHMIRPHZIUOF-UHFFFAOYSA-N 1 0 384.244 2.332 20 0 GEADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000906736462 654465934 /nfs/dbraw/zinc/46/59/34/654465934.db2.gz APADADUUNKLCFY-VIFPVBQESA-N 1 0 390.228 2.314 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000906736147 654466091 /nfs/dbraw/zinc/46/60/91/654466091.db2.gz RXEOUVAKDVBMIW-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000906740024 654466344 /nfs/dbraw/zinc/46/63/44/654466344.db2.gz RDWBYAXMNWFDKV-XWEPSHTISA-N 1 0 394.191 2.260 20 0 GEADRO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000906738034 654466463 /nfs/dbraw/zinc/46/64/63/654466463.db2.gz HHSZLEHFUPCPAM-SECBINFHSA-N 1 0 389.681 2.084 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000906740780 654466962 /nfs/dbraw/zinc/46/69/62/654466962.db2.gz KZRDJNOUDJCHSC-ZDUSSCGKSA-N 1 0 399.333 2.457 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000906742286 654466969 /nfs/dbraw/zinc/46/69/69/654466969.db2.gz TWTIMDINPZHFKG-LJGSYFOKSA-N 1 0 378.629 2.034 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(F)c(Br)cc1F)C2 ZINC000906754950 654468366 /nfs/dbraw/zinc/46/83/66/654468366.db2.gz HVEWHXWYIPVAMJ-CIUDSAMLSA-N 1 0 388.212 2.004 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906766415 654470215 /nfs/dbraw/zinc/47/02/15/654470215.db2.gz VURUXAWQMWIXAR-OAHLLOKOSA-N 1 0 386.677 2.396 20 0 GEADRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cn(C)nc1I ZINC000894371149 654470495 /nfs/dbraw/zinc/47/04/95/654470495.db2.gz WSQXYAUUZJBJOK-KOLCDFICSA-N 1 0 375.210 2.220 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906780843 654471387 /nfs/dbraw/zinc/47/13/87/654471387.db2.gz BOSVLJOILCKPEZ-VFZGTOFNSA-N 1 0 386.677 2.299 20 0 GEADRO CC(C)c1nnc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)s1 ZINC000894384815 654471752 /nfs/dbraw/zinc/47/17/52/654471752.db2.gz IWNOWWOOJZNPBI-UHFFFAOYSA-N 1 0 383.543 2.114 20 0 GEADRO CCCOc1ccc(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)c(OC(F)F)c1 ZINC000923627139 654472466 /nfs/dbraw/zinc/47/24/66/654472466.db2.gz FESCDNHFCNAYEP-AWEZNQCLSA-N 1 0 378.441 2.248 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)c2nscc2I)CC[N@@H+]1C ZINC000906794283 654472753 /nfs/dbraw/zinc/47/27/53/654472753.db2.gz UWOXYUCWSYYARQ-RKDXNWHRSA-N 1 0 379.267 2.302 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2occc2Br)C[C@H]1c1cccc(F)c1 ZINC000923649082 654473263 /nfs/dbraw/zinc/47/32/63/654473263.db2.gz XMUGGKONWVNBEQ-WCQYABFASA-N 1 0 389.246 2.297 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254759 654473740 /nfs/dbraw/zinc/47/37/40/654473740.db2.gz ZDGUHLSPTHNBMZ-INIZCTEOSA-N 1 0 381.314 2.358 20 0 GEADRO O=C(NCc1cnc(Cl)s1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000923681488 654475864 /nfs/dbraw/zinc/47/58/64/654475864.db2.gz JHSCGTSWEIXGQB-CQSZACIVSA-N 1 0 380.901 2.363 20 0 GEADRO CC(C)(C)c1ccc(S(=O)(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)s1 ZINC000923683919 654476551 /nfs/dbraw/zinc/47/65/51/654476551.db2.gz MJAKSSIWAFDQPR-LBPRGKRZSA-N 1 0 386.539 2.009 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923687892 654477300 /nfs/dbraw/zinc/47/73/00/654477300.db2.gz PWWDBKJCLPKDNQ-AWEZNQCLSA-N 1 0 386.901 2.061 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC000923699159 654478637 /nfs/dbraw/zinc/47/86/37/654478637.db2.gz HLUYZBOZVFKWFR-UWVGGRQHSA-N 1 0 395.294 2.202 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923699830 654479000 /nfs/dbraw/zinc/47/90/00/654479000.db2.gz LZCREWQYATTXDU-VHSXEESVSA-N 1 0 395.294 2.202 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC000923701321 654479039 /nfs/dbraw/zinc/47/90/39/654479039.db2.gz ZREWFMZDKUDXFB-QWRGUYRKSA-N 1 0 377.304 2.063 20 0 GEADRO CCOC(=O)c1ncc(Br)c(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000894477003 654479502 /nfs/dbraw/zinc/47/95/02/654479502.db2.gz VYPZUIKGBUSRNX-LLVKDONJSA-N 1 0 385.306 2.370 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000894481057 654479648 /nfs/dbraw/zinc/47/96/48/654479648.db2.gz MOGQPPNKIXIOLH-MFKMUULPSA-N 1 0 390.299 2.149 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c(Br)c1 ZINC000923702727 654479582 /nfs/dbraw/zinc/47/95/82/654479582.db2.gz MVNJJIVJCCJGNX-WDEREUQCSA-N 1 0 377.304 2.063 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC[C@@H]1C[NH3+] ZINC000923704029 654479703 /nfs/dbraw/zinc/47/97/03/654479703.db2.gz QVDKAZZSHCTSOY-DTWKUNHWSA-N 1 0 383.258 2.333 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000856411321 654479875 /nfs/dbraw/zinc/47/98/75/654479875.db2.gz UIFJWLGIOTVVDM-CYBMUJFWSA-N 1 0 399.333 2.206 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)cc1Cl ZINC000923713175 654480308 /nfs/dbraw/zinc/48/03/08/654480308.db2.gz RPYNTZHXVTVSBB-VHSXEESVSA-N 1 0 393.292 2.010 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Br ZINC000923713328 654480320 /nfs/dbraw/zinc/48/03/20/654480320.db2.gz KLCSGNCVLLBPDW-NWDGAFQWSA-N 1 0 389.315 2.078 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CCO1 ZINC000856431014 654481242 /nfs/dbraw/zinc/48/12/42/654481242.db2.gz NUIMLIPHUJMQGS-WBVHZDCISA-N 1 0 397.313 2.322 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000894506444 654481614 /nfs/dbraw/zinc/48/16/14/654481614.db2.gz PDPKSECEHRXFQW-LBPRGKRZSA-N 1 0 389.315 2.322 20 0 GEADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)c2ccc(Br)o2)C1 ZINC000923740352 654482303 /nfs/dbraw/zinc/48/23/03/654482303.db2.gz LXBFKVKHMLUANM-JNSHFYNHSA-N 1 0 385.283 2.380 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)CC)s2)C1 ZINC000894516069 654482444 /nfs/dbraw/zinc/48/24/44/654482444.db2.gz ZTLCFDGKFBPXSQ-AWEZNQCLSA-N 1 0 387.571 2.415 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)C1 ZINC000906880828 654482476 /nfs/dbraw/zinc/48/24/76/654482476.db2.gz GUVVDMLTBIWJRY-VXGBXAGGSA-N 1 0 375.724 2.067 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)c2cccn3c(I)cnc23)CC[NH2+]1 ZINC000856485406 654483137 /nfs/dbraw/zinc/48/31/37/654483137.db2.gz MSYHXGHQMMAMND-LBPRGKRZSA-N 1 0 398.248 2.009 20 0 GEADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1c(I)cnn1C ZINC000894534080 654483642 /nfs/dbraw/zinc/48/36/42/654483642.db2.gz XRPUNKWPBGGBCG-CYBMUJFWSA-N 1 0 385.249 2.026 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2c(Br)nc3n2CCOC3)CCCCC1 ZINC000856723424 654486772 /nfs/dbraw/zinc/48/67/72/654486772.db2.gz QZIAYCFLDVXNBS-UHFFFAOYSA-N 1 0 385.306 2.170 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2nscc2I)C1 ZINC000906915605 654487300 /nfs/dbraw/zinc/48/73/00/654487300.db2.gz MBNKIKIMJKLRMZ-DTWKUNHWSA-N 1 0 379.267 2.350 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2nscc2I)C1 ZINC000906915606 654487359 /nfs/dbraw/zinc/48/73/59/654487359.db2.gz MBNKIKIMJKLRMZ-IUCAKERBSA-N 1 0 379.267 2.350 20 0 GEADRO O=C(NCc1ccc(Br)cn1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000923922972 654488416 /nfs/dbraw/zinc/48/84/16/654488416.db2.gz TZLKRIIXAYXYGB-UONOGXRCSA-N 1 0 385.331 2.223 20 0 GEADRO Cn1cc(CNC(=O)NC[C@@H]2c3ccccc3CN2C)c(Br)n1 ZINC000923924147 654488440 /nfs/dbraw/zinc/48/84/40/654488440.db2.gz MZYDOEYZDLAWDV-CQSZACIVSA-N 1 0 378.274 2.169 20 0 GEADRO O=C(CNCc1cnc(CC(F)(F)F)s1)NCC[NH+]1CCCCCC1 ZINC000894600238 654489046 /nfs/dbraw/zinc/48/90/46/654489046.db2.gz BVBQQKXGZWPEND-UHFFFAOYSA-N 1 0 378.464 2.330 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000873985030 654490717 /nfs/dbraw/zinc/49/07/17/654490717.db2.gz VHZWCNLMOHLUCK-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO Cn1cc(C[NH2+][C@@H](CCO)Cc2ccccc2)c(I)n1 ZINC000894662169 654493345 /nfs/dbraw/zinc/49/33/45/654493345.db2.gz GOJIKVRGTZLLBN-AWEZNQCLSA-N 1 0 385.249 2.108 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)[C@@H](C)C1 ZINC000906982669 654495729 /nfs/dbraw/zinc/49/57/29/654495729.db2.gz ZBVPHLQNBYYBBC-CMPLNLGQSA-N 1 0 378.878 2.070 20 0 GEADRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H]3CC3(Cl)Cl)cn2)CC1 ZINC000856821168 654495969 /nfs/dbraw/zinc/49/59/69/654495969.db2.gz LWUBKPDFXBBXJS-AWEZNQCLSA-N 1 0 386.327 2.217 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856841244 654496980 /nfs/dbraw/zinc/49/69/80/654496980.db2.gz DUOWHOFREXBUPZ-HZPDHXFCSA-N 1 0 394.313 2.289 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]C[C@H]2COC(C)(C)O2)cc1Br ZINC000894751581 654497084 /nfs/dbraw/zinc/49/70/84/654497084.db2.gz WQTYOZDYRRELCF-KBPBESRZSA-N 1 0 388.302 2.350 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N2CC(O)(c3cccc(Br)c3)C2)C[N@@H+]1C1CC1 ZINC000856877039 654499075 /nfs/dbraw/zinc/49/90/75/654499075.db2.gz MRYUTDYEJFKXBP-IUODEOHRSA-N 1 0 394.313 2.287 20 0 GEADRO COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)C1(F)F ZINC000894848557 654502167 /nfs/dbraw/zinc/50/21/67/654502167.db2.gz IFGBJAXOLGEISA-UWJYBYFXSA-N 1 0 382.176 2.266 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000894892799 654504005 /nfs/dbraw/zinc/50/40/05/654504005.db2.gz GDEKXIMYLAXPSK-AAEUAGOBSA-N 1 0 379.931 2.046 20 0 GEADRO Cn1cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c(I)n1 ZINC000894894375 654504376 /nfs/dbraw/zinc/50/43/76/654504376.db2.gz GMASNQIZLUDWQM-NSHDSACASA-N 1 0 375.254 2.464 20 0 GEADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2c(I)cnn2C)cc1C ZINC000894969643 654508272 /nfs/dbraw/zinc/50/82/72/654508272.db2.gz OGSGNPPQRQBCHI-CQSZACIVSA-N 1 0 399.276 2.335 20 0 GEADRO CS[C@H]1CN(C(=O)c2cccn3ncc(Br)c23)C[C@@H]1[NH+](C)C ZINC000907146037 654514663 /nfs/dbraw/zinc/51/46/63/654514663.db2.gz JJONTCUCZFTWBA-STQMWFEESA-N 1 0 383.315 2.214 20 0 GEADRO Cn1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c(Br)n1 ZINC000924567168 654520149 /nfs/dbraw/zinc/52/01/49/654520149.db2.gz LVEPHFUWFUQGDV-AWEZNQCLSA-N 1 0 398.280 2.424 20 0 GEADRO C[NH+](C)CC1CN(S(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000907216798 654520951 /nfs/dbraw/zinc/52/09/51/654520951.db2.gz KVXFFCUWRMASMF-MRXNPFEDSA-N 1 0 387.343 2.130 20 0 GEADRO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1CCc1nc(C(F)(F)F)cs1 ZINC000924710056 654522486 /nfs/dbraw/zinc/52/24/86/654522486.db2.gz FLYOFXYJLBEZKR-SNVBAGLBSA-N 1 0 376.404 2.111 20 0 GEADRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1Cc1ccc(O)c(Br)c1 ZINC000924808918 654525301 /nfs/dbraw/zinc/52/53/01/654525301.db2.gz CXNURBMDNADPIY-ZDUSSCGKSA-N 1 0 382.258 2.061 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N[C@H]1CCc2ncc(Br)n2C1 ZINC000907278163 654526330 /nfs/dbraw/zinc/52/63/30/654526330.db2.gz ARJMSVALSJDGQQ-LBPRGKRZSA-N 1 0 389.363 2.152 20 0 GEADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)CC1 ZINC000907316019 654530788 /nfs/dbraw/zinc/53/07/88/654530788.db2.gz CERAFXDPVYBSIQ-UHFFFAOYSA-N 1 0 378.878 2.215 20 0 GEADRO 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2.025 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1F ZINC000927867967 654618436 /nfs/dbraw/zinc/61/84/36/654618436.db2.gz ASKUTBRULSCZAX-CXAGYDPISA-N 1 0 398.276 2.484 20 0 GEADRO O=C(NCCCCCN1CC[NH2+]CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000927870144 654618553 /nfs/dbraw/zinc/61/85/53/654618553.db2.gz MPVKVZGVXAUPRJ-UHFFFAOYSA-N 1 0 387.311 2.124 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1ccc(Cl)cc1Cl)CC2 ZINC000927875579 654619069 /nfs/dbraw/zinc/61/90/69/654619069.db2.gz CFOTVCCPOCGGIE-GFCCVEGCSA-N 1 0 386.279 2.288 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[C@@H]1C[NH3+] ZINC000927889528 654620005 /nfs/dbraw/zinc/62/00/05/654620005.db2.gz GCRVOHJIAGJYIW-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000927889834 654620188 /nfs/dbraw/zinc/62/01/88/654620188.db2.gz JYCINXJPWHQCAI-WDEREUQCSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c(Br)c1 ZINC000927890220 654620276 /nfs/dbraw/zinc/62/02/76/654620276.db2.gz MQHDKOREXRLSCD-QWHCGFSZSA-N 1 0 382.302 2.448 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[C@H]1C[NH3+] ZINC000927892402 654620397 /nfs/dbraw/zinc/62/03/97/654620397.db2.gz FFOQKCYXWOLFPA-UWVGGRQHSA-N 1 0 388.693 2.484 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000927895520 654620904 /nfs/dbraw/zinc/62/09/04/654620904.db2.gz YOHSYYOLEASHQU-NWDGAFQWSA-N 1 0 398.301 2.230 20 0 GEADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000908317505 654621554 /nfs/dbraw/zinc/62/15/54/654621554.db2.gz ABVWSWGTPIJPRZ-QWHCGFSZSA-N 1 0 381.687 2.313 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000927927049 654622044 /nfs/dbraw/zinc/62/20/44/654622044.db2.gz MPUUTCGGZJWRDX-PWSUYJOCSA-N 1 0 384.274 2.030 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1Br ZINC000927928120 654622097 /nfs/dbraw/zinc/62/20/97/654622097.db2.gz ZCYHISGMQBVHNE-MNOVXSKESA-N 1 0 384.274 2.030 20 0 GEADRO Nc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1OC(F)(F)F ZINC000928083002 654629017 /nfs/dbraw/zinc/62/90/17/654629017.db2.gz SESOIOPUHRFEMN-OLZOCXBDSA-N 1 0 375.416 2.477 20 0 GEADRO Cn1ccnc1[C@H](CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C(F)(F)F ZINC000928085048 654629282 /nfs/dbraw/zinc/62/92/82/654629282.db2.gz GHMQRIUPBHKYOW-RWMBFGLXSA-N 1 0 376.448 2.152 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928085500 654629515 /nfs/dbraw/zinc/62/95/15/654629515.db2.gz IXYLRTFKATWMPO-OLZOCXBDSA-N 1 0 386.315 2.168 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H](O)c1cccc(Br)c1 ZINC000928096791 654630548 /nfs/dbraw/zinc/63/05/48/654630548.db2.gz BRZAMXGGVFKILR-KFWWJZLASA-N 1 0 385.327 2.179 20 0 GEADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1)C2 ZINC000908539440 654633488 /nfs/dbraw/zinc/63/34/88/654633488.db2.gz ZVOIKBDWNKJAJK-QGZVFWFLSA-N 1 0 385.295 2.063 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000908593563 654634696 /nfs/dbraw/zinc/63/46/96/654634696.db2.gz CYLQJGYMTMJEFU-UHFFFAOYSA-N 1 0 399.285 2.143 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000928354659 654641695 /nfs/dbraw/zinc/64/16/95/654641695.db2.gz RWKAKWOVBJQVBZ-JKSUJKDBSA-N 1 0 380.286 2.228 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000928357274 654642559 /nfs/dbraw/zinc/64/25/59/654642559.db2.gz MNZWYOBZABNZJI-INIZCTEOSA-N 1 0 381.318 2.001 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000928459100 654648211 /nfs/dbraw/zinc/64/82/11/654648211.db2.gz YWGIJOOFEZIDDD-BLLLJJGKSA-N 1 0 387.933 2.191 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928459042 654648268 /nfs/dbraw/zinc/64/82/68/654648268.db2.gz YMSYZVSBONRUIR-RCBQFDQVSA-N 1 0 383.945 2.400 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928459040 654648416 /nfs/dbraw/zinc/64/84/16/654648416.db2.gz YMSYZVSBONRUIR-MAZHCROVSA-N 1 0 383.945 2.400 20 0 GEADRO O=C(Nc1cc(N2CCOCC2)ccc1Br)C12CC[NH+](CC1)C2 ZINC000909117812 654653056 /nfs/dbraw/zinc/65/30/56/654653056.db2.gz RTCIPERKLADUTN-UHFFFAOYSA-N 1 0 380.286 2.320 20 0 GEADRO C[N@H+](CCCCNC(=O)c1nscc1I)C1CC1 ZINC000909556389 654667736 /nfs/dbraw/zinc/66/77/36/654667736.db2.gz PNWVPFFYSMDSGN-UHFFFAOYSA-N 1 0 379.267 2.352 20 0 GEADRO CSc1ccc(Br)cc1CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000929004576 654670095 /nfs/dbraw/zinc/67/00/95/654670095.db2.gz UTCPFGHHCYILGM-LBPRGKRZSA-N 1 0 386.315 2.196 20 0 GEADRO Cc1cc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)oc1Br ZINC000909649656 654670195 /nfs/dbraw/zinc/67/01/95/654670195.db2.gz UDXYUYWQQBTDHU-UHFFFAOYSA-N 1 0 387.274 2.496 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000929124843 654672324 /nfs/dbraw/zinc/67/23/24/654672324.db2.gz LPJYJKTVETYPCY-QWHCGFSZSA-N 1 0 386.480 2.262 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@@H](C)C1 ZINC000910282258 654695182 /nfs/dbraw/zinc/69/51/82/654695182.db2.gz GGTNDOHNLDQDNY-NSHDSACASA-N 1 0 396.285 2.336 20 0 GEADRO Cc1cc([C@@H](C)[NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c(C)s1 ZINC000930198218 654701617 /nfs/dbraw/zinc/70/16/17/654701617.db2.gz YAYHTOISLAJGQG-LLVKDONJSA-N 1 0 379.448 2.495 20 0 GEADRO C[C@@H]([NH2+]CC[S@](=O)C(F)(F)F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000930199176 654701761 /nfs/dbraw/zinc/70/17/61/654701761.db2.gz RRFNIXWAXNDCPK-NDHGSNPTSA-N 1 0 378.416 2.263 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000930214764 654702262 /nfs/dbraw/zinc/70/22/62/654702262.db2.gz WOOAMNOOJIWIKS-SKDRFNHKSA-N 1 0 390.374 2.194 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1nnc(CC(F)(F)F)s1 ZINC000930426577 654709930 /nfs/dbraw/zinc/70/99/30/654709930.db2.gz RBERDNSOWHJLSS-JTQLQIEISA-N 1 0 379.408 2.018 20 0 GEADRO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000930443325 654710659 /nfs/dbraw/zinc/71/06/59/654710659.db2.gz RMHKFPQIXKEAGF-ZNMIVQPWSA-N 1 0 378.604 2.252 20 0 GEADRO C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000930506128 654711867 /nfs/dbraw/zinc/71/18/67/654711867.db2.gz JXMQMQKZXIPOCQ-IRXDYDNUSA-N 1 0 382.302 2.452 20 0 GEADRO O=[S@@](CC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1)C(F)(F)F ZINC000930558916 654713260 /nfs/dbraw/zinc/71/32/60/654713260.db2.gz QFWTVWDPZUNFEV-FVINQWEUSA-N 1 0 378.185 2.480 20 0 GEADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000910868283 654713156 /nfs/dbraw/zinc/71/31/56/654713156.db2.gz DODJUFIFVSYUGF-UHFFFAOYSA-N 1 0 390.347 2.461 20 0 GEADRO C[C@H](O)[C@@H](O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000930572547 654714056 /nfs/dbraw/zinc/71/40/56/654714056.db2.gz RUYQHUPRDVUBLH-NHYWBVRUSA-N 1 0 376.266 2.011 20 0 GEADRO O[C@H](C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1)C[C@]1(O)CCOC1 ZINC000930567513 654714082 /nfs/dbraw/zinc/71/40/82/654714082.db2.gz JKSBFYHJHXIJPP-BPQIPLTHSA-N 1 0 384.314 2.216 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)NCc1cccc(Br)c1Cl)C(C)C ZINC000911041219 654715960 /nfs/dbraw/zinc/71/59/60/654715960.db2.gz CQEYMEDMFDIQQF-UHFFFAOYSA-N 1 0 390.709 2.175 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[C@@H]1C[NH3+] ZINC000911041399 654715967 /nfs/dbraw/zinc/71/59/67/654715967.db2.gz WIXIZGSKWFDALF-GXTWGEPZSA-N 1 0 386.323 2.486 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000911078089 654716707 /nfs/dbraw/zinc/71/67/07/654716707.db2.gz QILHSMHIAPQCHF-LBPRGKRZSA-N 1 0 388.295 2.076 20 0 GEADRO OC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C[C@@H]1O ZINC000930698943 654717315 /nfs/dbraw/zinc/71/73/15/654717315.db2.gz BZWXYACEJBBDIP-UHOSZYNNSA-N 1 0 392.293 2.435 20 0 GEADRO Cc1cc([C@H](C)NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(C)s1 ZINC000911169929 654718863 /nfs/dbraw/zinc/71/88/63/654718863.db2.gz MDZVWNVITDOTOH-ZWKOPEQDSA-N 1 0 377.432 2.280 20 0 GEADRO Cc1cc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)oc1Br ZINC000930799088 654720276 /nfs/dbraw/zinc/72/02/76/654720276.db2.gz ZQKQYGKQBLYHKR-UHFFFAOYSA-N 1 0 393.285 2.427 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2SC(F)(F)F)C1 ZINC000911309517 654721946 /nfs/dbraw/zinc/72/19/46/654721946.db2.gz FIGCWSHOWZEWBQ-PWSUYJOCSA-N 1 0 375.416 2.158 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)NCc1cc(Cl)ccc1Br)C(C)C ZINC000911312901 654722207 /nfs/dbraw/zinc/72/22/07/654722207.db2.gz ALNTUJLXVBVIDK-UHFFFAOYSA-N 1 0 390.709 2.175 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCCc1c(Cl)cccc1Cl)C2 ZINC000911325385 654722401 /nfs/dbraw/zinc/72/24/01/654722401.db2.gz SIBOLWHZIRUGBI-XQQFMLRXSA-N 1 0 384.307 2.380 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2SC(F)(F)F)C[NH2+]1 ZINC000911346108 654722786 /nfs/dbraw/zinc/72/27/86/654722786.db2.gz DQHXHNOHZWZDJB-CMPLNLGQSA-N 1 0 375.416 2.171 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911484693 654724380 /nfs/dbraw/zinc/72/43/80/654724380.db2.gz JSRRDHJLGVBPLI-HIFRSBDPSA-N 1 0 396.329 2.431 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NCc2ccccc2SC(F)(F)F)C1 ZINC000911486462 654724711 /nfs/dbraw/zinc/72/47/11/654724711.db2.gz CQKGMOBCBNDIRH-CMPLNLGQSA-N 1 0 375.416 2.158 20 0 GEADRO O[C@@H](C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)C[C@]1(O)CCOC1 ZINC000930962007 654724832 /nfs/dbraw/zinc/72/48/32/654724832.db2.gz JGFGUNRMWALZCL-RHSMWYFYSA-N 1 0 375.296 2.018 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000911528767 654725441 /nfs/dbraw/zinc/72/54/41/654725441.db2.gz RJJRHGRQEXZKLX-HNNXBMFYSA-N 1 0 377.535 2.453 20 0 GEADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cnnn1-c1ccccc1Br ZINC000911579603 654726841 /nfs/dbraw/zinc/72/68/41/654726841.db2.gz GCWNYQBBWBFNAB-BETUJISGSA-N 1 0 390.285 2.386 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2nscc2I)C1(C)C ZINC000911581568 654727143 /nfs/dbraw/zinc/72/71/43/654727143.db2.gz ZDDORFTZZBIYIK-BDAKNGLRSA-N 1 0 379.267 2.206 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000911635235 654728304 /nfs/dbraw/zinc/72/83/04/654728304.db2.gz QMQFJYXITRJDOL-LBPRGKRZSA-N 1 0 378.274 2.101 20 0 GEADRO C[C@H](NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000911719138 654730413 /nfs/dbraw/zinc/73/04/13/654730413.db2.gz KTIQXEAOXJYXPS-COPLHBTASA-N 1 0 380.286 2.379 20 0 GEADRO C[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000911719142 654730421 /nfs/dbraw/zinc/73/04/21/654730421.db2.gz KTIQXEAOXJYXPS-MJVIPROJSA-N 1 0 380.286 2.379 20 0 GEADRO C[C@H](NC(=O)c1cnnn1-c1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000911717099 654730460 /nfs/dbraw/zinc/73/04/60/654730460.db2.gz BKNQASWOYVMZIZ-RYUDHWBXSA-N 1 0 378.274 2.148 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C[C@H]2c3cccc(Br)c3NC2=O)CC1 ZINC000911752210 654731182 /nfs/dbraw/zinc/73/11/82/654731182.db2.gz BFLJHSKVJJVAMG-MFKMUULPSA-N 1 0 380.286 2.461 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cnn(Cc2ccccc2)c1Br ZINC000911773978 654731850 /nfs/dbraw/zinc/73/18/50/654731850.db2.gz DUGAAHOHULESLU-ZDUSSCGKSA-N 1 0 377.286 2.423 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)c1cnn(Cc2ccccc2)c1Br ZINC000911773977 654731991 /nfs/dbraw/zinc/73/19/91/654731991.db2.gz DUGAAHOHULESLU-CYBMUJFWSA-N 1 0 377.286 2.423 20 0 GEADRO CCN(Cc1ccccc1)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911940612 654736926 /nfs/dbraw/zinc/73/69/26/654736926.db2.gz QJJFMPCTVRCWFX-UHFFFAOYSA-N 1 0 378.270 2.232 20 0 GEADRO COc1cc(C(=O)N(CCO)C2CC[NH+](C)CC2)sc1Br ZINC000911940721 654736976 /nfs/dbraw/zinc/73/69/76/654736976.db2.gz SYNNAGOWDWDWJG-UHFFFAOYSA-N 1 0 377.304 2.048 20 0 GEADRO C[NH+]1C[C@]2(C)CN(C[C@H](O)COc3ccc(Br)cc3)C[C@@]2(C)C1 ZINC000931305567 654737548 /nfs/dbraw/zinc/73/75/48/654737548.db2.gz ZOISXJWYRRYXHC-CGTJXYLNSA-N 1 0 383.330 2.462 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)c3nccnc3c2)cn1 ZINC000931347495 654739092 /nfs/dbraw/zinc/73/90/92/654739092.db2.gz UUSPSOLZQXUFLQ-UHFFFAOYSA-N 1 0 389.257 2.403 20 0 GEADRO CCc1ccc(CN(C)C(=O)c2cc(Br)cn(CC[NH3+])c2=O)cc1 ZINC000912001082 654739198 /nfs/dbraw/zinc/73/91/98/654739198.db2.gz LZFKZJIWJVFTFQ-UHFFFAOYSA-N 1 0 392.297 2.404 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC000912076876 654742429 /nfs/dbraw/zinc/74/24/29/654742429.db2.gz ZTKSBLBBLKNROS-UHFFFAOYSA-N 1 0 394.298 2.327 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)Nc1cccc(C2SCCS2)c1 ZINC000912104048 654742818 /nfs/dbraw/zinc/74/28/18/654742818.db2.gz XXNPRZLDBXRTOT-VHDGCEQUSA-N 1 0 398.575 2.126 20 0 GEADRO C[NH+](C)CC1(O)CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000931482559 654743561 /nfs/dbraw/zinc/74/35/61/654743561.db2.gz XKEUYURCBBQJGT-INIZCTEOSA-N 1 0 386.323 2.487 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931483343 654743691 /nfs/dbraw/zinc/74/36/91/654743691.db2.gz HMGGLPMONIOIFK-UHFFFAOYSA-N 1 0 388.339 2.340 20 0 GEADRO C[NH+](C)CC1(O)CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000931488038 654743933 /nfs/dbraw/zinc/74/39/33/654743933.db2.gz LQQFYUCAEDBTSU-UHFFFAOYSA-N 1 0 395.301 2.388 20 0 GEADRO C[C@@H]1CN(c2ccc(-c3nnc(Br)o3)cc2)C[C@H](C)[N@H+]1CCO ZINC000912188185 654745355 /nfs/dbraw/zinc/74/53/55/654745355.db2.gz IOZIXNLQTNJWGP-TXEJJXNPSA-N 1 0 381.274 2.390 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000931550741 654746303 /nfs/dbraw/zinc/74/63/03/654746303.db2.gz YYIWSIMDFGVBLE-KBPBESRZSA-N 1 0 383.290 2.215 20 0 GEADRO COC[C@@H]([NH2+]C[C@@H]1CN=C(c2cnn(C)c2)O1)c1cccc(Br)c1 ZINC000931556619 654746594 /nfs/dbraw/zinc/74/65/94/654746594.db2.gz AQSPBKSLBSHBPB-HZPDHXFCSA-N 1 0 393.285 2.305 20 0 GEADRO COc1cccc([C@H](C)NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c1 ZINC000912253567 654747875 /nfs/dbraw/zinc/74/78/75/654747875.db2.gz IMGSAQYGTXGUNK-NSHDSACASA-N 1 0 394.269 2.069 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000931647310 654750813 /nfs/dbraw/zinc/75/08/13/654750813.db2.gz CTMSTEUMLZWLTB-LLVKDONJSA-N 1 0 381.278 2.345 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000912386651 654752025 /nfs/dbraw/zinc/75/20/25/654752025.db2.gz GRLCLNQSRZPFTI-UHFFFAOYSA-N 1 0 383.949 2.260 20 0 GEADRO O=C(CN1CSCCSC1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000912401961 654752712 /nfs/dbraw/zinc/75/27/12/654752712.db2.gz IXLALUTWOCGWRV-UHFFFAOYSA-N 1 0 380.583 2.107 20 0 GEADRO CCN(C(=O)c1nscc1I)[C@H]1CC[N@H+](CC)C1 ZINC000912400479 654752732 /nfs/dbraw/zinc/75/27/32/654752732.db2.gz KZQUHTGEYHALGF-VIFPVBQESA-N 1 0 379.267 2.304 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000931689525 654753536 /nfs/dbraw/zinc/75/35/36/654753536.db2.gz ZDMRDFRKITUJNK-CHWSQXEVSA-N 1 0 383.290 2.215 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000931693153 654753738 /nfs/dbraw/zinc/75/37/38/654753738.db2.gz VQLOSIAQGAESCQ-WCQYABFASA-N 1 0 380.286 2.428 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Br)cc1 ZINC000912453945 654754639 /nfs/dbraw/zinc/75/46/39/654754639.db2.gz IOBYZABIMBDKCW-YJNKXOJESA-N 1 0 381.270 2.310 20 0 GEADRO [NH3+][C@H](CC(=O)N[C@@H]1CCc2n[nH]cc2C1)Cc1ccc(Br)cc1 ZINC000912475214 654756152 /nfs/dbraw/zinc/75/61/52/654756152.db2.gz GOQQSIBJCNZUKP-LSDHHAIUSA-N 1 0 377.286 2.106 20 0 GEADRO C[C@@H](CNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[N@H+](C)C1CC1 ZINC000931780822 654756737 /nfs/dbraw/zinc/75/67/37/654756737.db2.gz RAKWQQZCPGIUOB-HZMBPMFUSA-N 1 0 380.286 2.474 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000912510629 654757356 /nfs/dbraw/zinc/75/73/56/654757356.db2.gz KIQDHAYFIMBAIO-DLBZAZTESA-N 1 0 395.297 2.070 20 0 GEADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000912649109 654762110 /nfs/dbraw/zinc/76/21/10/654762110.db2.gz OVQWVNHPLCTGTA-TZMCWYRMSA-N 1 0 387.933 2.322 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932005501 654763829 /nfs/dbraw/zinc/76/38/29/654763829.db2.gz ULEQDUYRXQBNCU-NSHDSACASA-N 1 0 389.315 2.164 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Br)c2nccnc2c1 ZINC000932043350 654764848 /nfs/dbraw/zinc/76/48/48/654764848.db2.gz VRRAHPGIRATEOX-UHFFFAOYSA-N 1 0 381.274 2.043 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000912720224 654765358 /nfs/dbraw/zinc/76/53/58/654765358.db2.gz LHYRFRSIZJIVTA-UHFFFAOYSA-N 1 0 393.285 2.242 20 0 GEADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000912803205 654768853 /nfs/dbraw/zinc/76/88/53/654768853.db2.gz MHTOWYQKVVVYLW-OLZOCXBDSA-N 1 0 399.333 2.368 20 0 GEADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000912806835 654768921 /nfs/dbraw/zinc/76/89/21/654768921.db2.gz WITSWVAGUFQRBZ-DOMZBBRYSA-N 1 0 387.933 2.331 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000912806927 654769116 /nfs/dbraw/zinc/76/91/16/654769116.db2.gz XCBYAGZLDKQNJO-SWLSCSKDSA-N 1 0 387.933 2.180 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(Br)[nH]c1=O ZINC000932211410 654770700 /nfs/dbraw/zinc/77/07/00/654770700.db2.gz ZHVKBLNEOZRCDR-UHFFFAOYSA-N 1 0 379.258 2.149 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CCC([NH+]3CCC3)CC2)C(F)(F)F)n1 ZINC000912881445 654772451 /nfs/dbraw/zinc/77/24/51/654772451.db2.gz YDLVRLUULNOGFE-OAHLLOKOSA-N 1 0 377.432 2.288 20 0 GEADRO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1n[nH]cc1I ZINC000912887666 654773124 /nfs/dbraw/zinc/77/31/24/654773124.db2.gz GKHHXTQVPGSRAL-UHFFFAOYSA-N 1 0 396.232 2.401 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)nnn1-c1ccccc1Br ZINC000912901596 654773914 /nfs/dbraw/zinc/77/39/14/654773914.db2.gz AAWHOPNUEYILDI-CYBMUJFWSA-N 1 0 390.285 2.258 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)nnn1-c1cccc(Br)c1 ZINC000912920362 654774181 /nfs/dbraw/zinc/77/41/81/654774181.db2.gz UMPBDCGMVGDRDA-OAHLLOKOSA-N 1 0 390.285 2.258 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918011 654774198 /nfs/dbraw/zinc/77/41/98/654774198.db2.gz SMOHTFCOHBZMSS-CVEARBPZSA-N 1 0 379.913 2.162 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912922844 654774453 /nfs/dbraw/zinc/77/44/53/654774453.db2.gz QKRQDSNDGVEYNK-ZIAGYGMSSA-N 1 0 392.297 2.109 20 0 GEADRO CN(C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000932537545 654780695 /nfs/dbraw/zinc/78/06/95/654780695.db2.gz ASBDGIJSXZKOKC-DZGCQCFKSA-N 1 0 392.297 2.428 20 0 GEADRO COc1cc(Br)cc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000932623494 654783864 /nfs/dbraw/zinc/78/38/64/654783864.db2.gz YWDPRECCFXABSN-OAHLLOKOSA-N 1 0 396.329 2.356 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)NCc1ccc(Br)c(F)c1F ZINC000913150841 654785351 /nfs/dbraw/zinc/78/53/51/654785351.db2.gz IYPQQSBXYONQKN-UHFFFAOYSA-N 1 0 387.228 2.415 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000913151207 654785404 /nfs/dbraw/zinc/78/54/04/654785404.db2.gz WIACOWQFLDXXGU-HNNXBMFYSA-N 1 0 377.229 2.190 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000932703241 654785993 /nfs/dbraw/zinc/78/59/93/654785993.db2.gz IUGMJALWUBXKFD-UHFFFAOYSA-N 1 0 381.318 2.089 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2nc(C)ccc2Br)CC1 ZINC000932706821 654786044 /nfs/dbraw/zinc/78/60/44/654786044.db2.gz NQWDOANZJPWMDO-UHFFFAOYSA-N 1 0 383.334 2.300 20 0 GEADRO COc1ccc(Cl)cc1C(F)(F)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000932727295 654787464 /nfs/dbraw/zinc/78/74/64/654787464.db2.gz NGINFCNMUMWUJA-LBPRGKRZSA-N 1 0 375.847 2.193 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000913335254 654788914 /nfs/dbraw/zinc/78/89/14/654788914.db2.gz PHFIDXPCZMLAMS-NVXWUHKLSA-N 1 0 375.296 2.380 20 0 GEADRO Cc1ncc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(C)c1Br ZINC000932768775 654789344 /nfs/dbraw/zinc/78/93/44/654789344.db2.gz BXZPMXQTDGVXJP-LBPRGKRZSA-N 1 0 398.305 2.045 20 0 GEADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(Br)[nH]c1=O ZINC000932871114 654793198 /nfs/dbraw/zinc/79/31/98/654793198.db2.gz RDNSYPBLUMYUQF-UHFFFAOYSA-N 1 0 391.269 2.339 20 0 GEADRO C[C@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000932917712 654794546 /nfs/dbraw/zinc/79/45/46/654794546.db2.gz CRBSHIUPPWMNGK-MRXNPFEDSA-N 1 0 378.889 2.312 20 0 GEADRO COc1ncc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1Br ZINC000932947107 654795748 /nfs/dbraw/zinc/79/57/48/654795748.db2.gz YVOTXQNITNJNIZ-NEPJUHHUSA-N 1 0 399.289 2.146 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)[nH]nc2Br)[C@@H](C)C1 ZINC000932947436 654795843 /nfs/dbraw/zinc/79/58/43/654795843.db2.gz GFVAIYUNWDMBKC-WCQYABFASA-N 1 0 387.322 2.347 20 0 GEADRO O=C(NC12CC[NH+](CC1)C2)C1(c2ccc(Br)cc2)CCOCC1 ZINC000913628631 654802071 /nfs/dbraw/zinc/80/20/71/654802071.db2.gz MBJNPDWJHHPSNZ-UHFFFAOYSA-N 1 0 379.298 2.462 20 0 GEADRO O=C(NC12CC[NH+](CC1)C2)c1ncc(Br)cc1Br ZINC000913632846 654802491 /nfs/dbraw/zinc/80/24/91/654802491.db2.gz APGQSVYEILQODI-UHFFFAOYSA-N 1 0 375.064 2.185 20 0 GEADRO CCn1c(Br)ncc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000913664611 654803311 /nfs/dbraw/zinc/80/33/11/654803311.db2.gz LUOLZUYGIUCJIA-UHFFFAOYSA-N 1 0 393.289 2.065 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000913677519 654803789 /nfs/dbraw/zinc/80/37/89/654803789.db2.gz SPGRUZDLUJBFPL-AWEZNQCLSA-N 1 0 397.313 2.230 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913677072 654803794 /nfs/dbraw/zinc/80/37/94/654803794.db2.gz ZJSVKMXQVGIEHR-UHFFFAOYSA-N 1 0 385.302 2.295 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000913678221 654804010 /nfs/dbraw/zinc/80/40/10/654804010.db2.gz WYSZVORSXCSKKS-UHFFFAOYSA-N 1 0 377.229 2.256 20 0 GEADRO CO[C@@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000913683275 654804245 /nfs/dbraw/zinc/80/42/45/654804245.db2.gz VSQBAKVMLPMALE-CYBMUJFWSA-N 1 0 391.331 2.113 20 0 GEADRO O=C(NCc1ccc(Br)cn1)C1CCC([NH+]2CCOCC2)CC1 ZINC000913757863 654807954 /nfs/dbraw/zinc/80/79/54/654807954.db2.gz WKFZZCDEFMWWDL-UHFFFAOYSA-N 1 0 382.302 2.351 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)CC[C@H]21 ZINC000913760704 654807966 /nfs/dbraw/zinc/80/79/66/654807966.db2.gz OPBQEBBDHBPLEM-IAQYHMDHSA-N 1 0 380.286 2.112 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Br)NCCCn1ccnc1 ZINC000913824649 654811082 /nfs/dbraw/zinc/81/10/82/654811082.db2.gz XRBOUUXFYCOPBP-UHFFFAOYSA-N 1 0 376.251 2.294 20 0 GEADRO C[C@@H](NC(=O)C(F)(F)c1cccc(Br)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000933386038 654811368 /nfs/dbraw/zinc/81/13/68/654811368.db2.gz HWPPDWFLBCLZDI-RISCZKNCSA-N 1 0 390.272 2.291 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2F)s1 ZINC000933430698 654812667 /nfs/dbraw/zinc/81/26/67/654812667.db2.gz BKYVNVGBWAWSMV-KRWDZBQOSA-N 1 0 386.514 2.221 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC000933436711 654812867 /nfs/dbraw/zinc/81/28/67/654812867.db2.gz GKRASDZUKFDTID-GOEBONIOSA-N 1 0 390.343 2.157 20 0 GEADRO C[C@@H](C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1)CS(C)(=O)=O ZINC000933436300 654812896 /nfs/dbraw/zinc/81/28/96/654812896.db2.gz CJFHXJFFQRZOCH-SWLSCSKDSA-N 1 0 378.332 2.013 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1[nH]nc2c1COCC2 ZINC000933440782 654813571 /nfs/dbraw/zinc/81/35/71/654813571.db2.gz NUCIIWJJFHKNQS-KRWDZBQOSA-N 1 0 380.286 2.328 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000913884549 654813576 /nfs/dbraw/zinc/81/35/76/654813576.db2.gz VUTYXNYWYVIOOM-BXUZGUMPSA-N 1 0 383.290 2.088 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000933442492 654813589 /nfs/dbraw/zinc/81/35/89/654813589.db2.gz SGBOQEFGJWAUDO-KURKYZTESA-N 1 0 386.330 2.244 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000933441883 654813636 /nfs/dbraw/zinc/81/36/36/654813636.db2.gz PUQSBLIKUFCGKH-IAGOWNOFSA-N 1 0 386.330 2.388 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cn3ncnc23)[C@@H](C)C1 ZINC000933439495 654813735 /nfs/dbraw/zinc/81/37/35/654813735.db2.gz QQTFCVRXBDHNFE-SMDDNHRTSA-N 1 0 380.290 2.294 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000913892196 654814136 /nfs/dbraw/zinc/81/41/36/654814136.db2.gz KMQAQTFOYGJDOZ-AWEZNQCLSA-N 1 0 390.285 2.313 20 0 GEADRO C[N@H+](C[C@@H](O)c1cc(Br)no1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933466273 654814399 /nfs/dbraw/zinc/81/43/99/654814399.db2.gz YZQLHIQNORGUCB-GHMZBOCLSA-N 1 0 390.278 2.412 20 0 GEADRO CN(C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)[C@@H]1CCC[N@H+](C)C1 ZINC000933486671 654814907 /nfs/dbraw/zinc/81/49/07/654814907.db2.gz WTZURIZANJGIFJ-TZMCWYRMSA-N 1 0 380.286 2.428 20 0 GEADRO CN(C(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[C@@H]1CCC[N@H+](C)C1 ZINC000933486339 654815025 /nfs/dbraw/zinc/81/50/25/654815025.db2.gz OOMAZUYRCWKRDR-DGCLKSJQSA-N 1 0 380.286 2.428 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@@H]3CC3(Cl)Cl)C2)[C@@H]1C(C)C ZINC000913904470 654815037 /nfs/dbraw/zinc/81/50/37/654815037.db2.gz NISBDJFAIZEQAJ-ADVQIIOHSA-N 1 0 378.344 2.349 20 0 GEADRO CC[C@@](O)(C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1)C(F)(F)F ZINC000933548423 654816447 /nfs/dbraw/zinc/81/64/47/654816447.db2.gz BXQMVTWWZFTFBU-OAHLLOKOSA-N 1 0 380.432 2.217 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Br)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000913969227 654819262 /nfs/dbraw/zinc/81/92/62/654819262.db2.gz KFIPWEAJQKLDKZ-GFCCVEGCSA-N 1 0 377.279 2.244 20 0 GEADRO COc1ncc(S(=O)(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000914108522 654827195 /nfs/dbraw/zinc/82/71/95/654827195.db2.gz HVDVKNJKVWUNRK-UHFFFAOYSA-N 1 0 381.523 2.437 20 0 GEADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914110815 654827404 /nfs/dbraw/zinc/82/74/04/654827404.db2.gz PWTWWCFGBJJKIL-OIRASMEMSA-N 1 0 399.460 2.162 20 0 GEADRO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000914175041 654832417 /nfs/dbraw/zinc/83/24/17/654832417.db2.gz NSKMKZUDLJUPNM-RYQLBKOJSA-N 1 0 379.298 2.401 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000914185085 654833518 /nfs/dbraw/zinc/83/35/18/654833518.db2.gz UTYUMQDZXGJNOT-MFKMUULPSA-N 1 0 379.295 2.490 20 0 GEADRO COc1ccc(CN2CCN(C)CC[N@H+](C)CC2)c(Br)c1OC ZINC000933997080 654833961 /nfs/dbraw/zinc/83/39/61/654833961.db2.gz SQWINWRTQQCACG-UHFFFAOYSA-N 1 0 386.334 2.146 20 0 GEADRO O=C(NCc1nc(C(F)F)no1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000914191822 654833986 /nfs/dbraw/zinc/83/39/86/654833986.db2.gz GZQIOPFLHDSMEG-UHFFFAOYSA-N 1 0 375.445 2.168 20 0 GEADRO C[C@@H](CNC(=O)NCC1(n2cc(Br)cn2)CC1)C[NH+]1CCCC1 ZINC000914243269 654838190 /nfs/dbraw/zinc/83/81/90/654838190.db2.gz HNIKBUWNRQOUJX-ZDUSSCGKSA-N 1 0 384.322 2.166 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3occc3Br)C2)CC1 ZINC000914292784 654842741 /nfs/dbraw/zinc/84/27/41/654842741.db2.gz ABHOMHOVYSMCNP-LBPRGKRZSA-N 1 0 377.304 2.395 20 0 GEADRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(=O)[nH]cc2Br)C[C@H](C)O1 ZINC000934307891 654843580 /nfs/dbraw/zinc/84/35/80/654843580.db2.gz GIYMFAPQXLPIPH-RYUDHWBXSA-N 1 0 386.290 2.169 20 0 GEADRO CC(C)[N@H+](C)C[C@H](O)CN1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000934324949 654844396 /nfs/dbraw/zinc/84/43/96/654844396.db2.gz LBZAUFPZHVWTRD-JTQLQIEISA-N 1 0 399.255 2.181 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000914336862 654846413 /nfs/dbraw/zinc/84/64/13/654846413.db2.gz GLSWCIFAPMRWHE-CYBMUJFWSA-N 1 0 384.322 2.166 20 0 GEADRO COC(=O)C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1cccc(Br)c1 ZINC000914339332 654846789 /nfs/dbraw/zinc/84/67/89/654846789.db2.gz JDARQZJKUZNZBQ-KBPBESRZSA-N 1 0 384.274 2.057 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1nc(C(C)C)ncc1Br ZINC000934383461 654848643 /nfs/dbraw/zinc/84/86/43/654848643.db2.gz ATZWLMGXXHEILV-LBPRGKRZSA-N 1 0 387.322 2.449 20 0 GEADRO O=C(C[NH2+][C@@H]1CCOC12CCOCC2)Nc1ccc(Br)cc1F ZINC000934407181 654849078 /nfs/dbraw/zinc/84/90/78/654849078.db2.gz XQOVSWUDXVCCFH-CQSZACIVSA-N 1 0 387.249 2.454 20 0 GEADRO C[C@](CO)([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000934497298 654851185 /nfs/dbraw/zinc/85/11/85/654851185.db2.gz SMLWOOJBGHPAPG-CQSZACIVSA-N 1 0 376.316 2.071 20 0 GEADRO CCCn1nccc1NC(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934497938 654851489 /nfs/dbraw/zinc/85/14/89/654851489.db2.gz SYNUTCYYYOOCNK-QGZVFWFLSA-N 1 0 395.301 2.491 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C ZINC000914443252 654854716 /nfs/dbraw/zinc/85/47/16/654854716.db2.gz LTFHEGDHJXGJOU-ILXRZTDVSA-N 1 0 387.571 2.136 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cn(-c2ccccc2Br)nn1 ZINC000914752760 654856917 /nfs/dbraw/zinc/85/69/17/654856917.db2.gz FEGJNCDPPXHVLB-UHFFFAOYSA-N 1 0 390.285 2.386 20 0 GEADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000934750887 654857985 /nfs/dbraw/zinc/85/79/85/654857985.db2.gz TZLLRIAAQRMQBL-GKVSMKOHSA-N 1 0 375.485 2.285 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCN2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)C1 ZINC000934780384 654859202 /nfs/dbraw/zinc/85/92/02/654859202.db2.gz BTQMQTIPGAPVAZ-CAOSSQGBSA-N 1 0 382.492 2.406 20 0 GEADRO Cc1ncc(CNC(=O)CC[N@@H+]2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)s1 ZINC000934791140 654860354 /nfs/dbraw/zinc/86/03/54/654860354.db2.gz OHCUZUXLTZBPGO-TXEJJXNPSA-N 1 0 378.464 2.415 20 0 GEADRO CC(=O)NCCCCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934827250 654861817 /nfs/dbraw/zinc/86/18/17/654861817.db2.gz UAXKCSQFHKWCFW-HNNXBMFYSA-N 1 0 390.265 2.221 20 0 GEADRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000915173776 654864701 /nfs/dbraw/zinc/86/47/01/654864701.db2.gz PBFMQJNMYRCIQH-LBPRGKRZSA-N 1 0 380.290 2.490 20 0 GEADRO Cc1ccc(/C=C/C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(Br)c1 ZINC000915267042 654867053 /nfs/dbraw/zinc/86/70/53/654867053.db2.gz XDVGXVOODRDPJV-VOTSOKGWSA-N 1 0 394.313 2.003 20 0 GEADRO COc1cc(Br)cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000934955816 654868092 /nfs/dbraw/zinc/86/80/92/654868092.db2.gz ZPGGQRWMYJMUOJ-HNNXBMFYSA-N 1 0 385.302 2.424 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000935006312 654870698 /nfs/dbraw/zinc/87/06/98/654870698.db2.gz IPCXJSSRIUPLPU-LBPRGKRZSA-N 1 0 393.289 2.268 20 0 GEADRO CCO[C@@H](CNC(=O)NCc1cc(Br)ccc1OC)C[NH+](C)C ZINC000915451978 654871090 /nfs/dbraw/zinc/87/10/90/654871090.db2.gz AXTSICAJYOHSHF-AWEZNQCLSA-N 1 0 388.306 2.224 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc(Br)c1OC ZINC000915620590 654875080 /nfs/dbraw/zinc/87/50/80/654875080.db2.gz GSHGPMHNDRGCMX-GWCFXTLKSA-N 1 0 386.290 2.358 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cnn3cccc(Br)c23)C[C@@H]1[NH+](C)C ZINC000935113733 654876798 /nfs/dbraw/zinc/87/67/98/654876798.db2.gz PRCRHWXOBVGGHI-QWHCGFSZSA-N 1 0 383.315 2.214 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC[N@H+]1C ZINC000935215310 654881980 /nfs/dbraw/zinc/88/19/80/654881980.db2.gz WMQHEZSPPMIALR-UHIISALHSA-N 1 0 380.286 2.426 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1nc(Br)c2ccccn21 ZINC000935532651 654898591 /nfs/dbraw/zinc/89/85/91/654898591.db2.gz NITYROLLEAIPQP-LBPRGKRZSA-N 1 0 395.301 2.014 20 0 GEADRO O=C(c1cc(Br)cnc1C1CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935982744 654931793 /nfs/dbraw/zinc/93/17/93/654931793.db2.gz FKYFDGYJTFVKMB-UONOGXRCSA-N 1 0 380.286 2.003 20 0 GEADRO O=C(c1cc(F)cc(Br)c1F)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000935987759 654932196 /nfs/dbraw/zinc/93/21/96/654932196.db2.gz XWCLIDNWLUXNAC-QWRGUYRKSA-N 1 0 375.213 2.008 20 0 GEADRO Cc1cc(CNC(=O)c2ncc(Br)cn2)cc(N2CCCC2)n1 ZINC000936041359 654934630 /nfs/dbraw/zinc/93/46/30/654934630.db2.gz AUBXCUKKSCZGMP-UHFFFAOYSA-N 1 0 376.258 2.473 20 0 GEADRO Cc1nc(Cl)sc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC000995917882 654947096 /nfs/dbraw/zinc/94/70/96/654947096.db2.gz JYADTVMMSLNYAP-VOAKCMCISA-N 1 0 382.917 2.061 20 0 GEADRO Cc1nc(Cl)sc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC000996840943 654949504 /nfs/dbraw/zinc/94/95/04/654949504.db2.gz YLFNCTJJKNRWHM-AGIUHOORSA-N 1 0 382.917 2.062 20 0 GEADRO CS[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC000997209896 654949786 /nfs/dbraw/zinc/94/97/86/654949786.db2.gz BROWNLQRMLLXJU-ATGSNQNLSA-N 1 0 381.567 2.423 20 0 GEADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 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FYASZNCDIAZWQR-AWEZNQCLSA-N 1 0 382.798 2.293 20 0 GEADRO CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001164670385 719488590 /nfs/dbraw/zinc/48/85/90/719488590.db2.gz XFEURWKEKPHOIF-HZPDHXFCSA-N 1 0 384.858 2.176 20 0 GEADRO CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21 ZINC001164670379 719489155 /nfs/dbraw/zinc/48/91/55/719489155.db2.gz XFEURWKEKPHOIF-HOTGVXAUSA-N 1 0 384.858 2.176 20 0 GEADRO COC(=O)c1ccc(Cl)nc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685255 719602788 /nfs/dbraw/zinc/60/27/88/719602788.db2.gz UHYTWWOIEFFFDM-UHFFFAOYSA-N 1 0 377.876 2.193 20 0 GEADRO COC(=O)c1ccc2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164682529 719607185 /nfs/dbraw/zinc/60/71/85/719607185.db2.gz DPCKPFNJOMMAKV-UHFFFAOYSA-N 1 0 394.479 2.088 20 0 GEADRO COc1cc2ncc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc2cc1OC ZINC001164683439 719618453 /nfs/dbraw/zinc/61/84/53/719618453.db2.gz SHWKWIKCNZKHEY-UHFFFAOYSA-N 1 0 396.495 2.319 20 0 GEADRO COCc1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(SC)n1 ZINC001164684606 719621230 /nfs/dbraw/zinc/62/12/30/719621230.db2.gz VIHUPPPDPYOXQI-UHFFFAOYSA-N 1 0 376.530 2.017 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164689538 719740055 /nfs/dbraw/zinc/74/00/55/719740055.db2.gz GZCLABXEIWWGPY-UHFFFAOYSA-N 1 0 385.537 2.361 20 0 GEADRO O=C1C[C@@H]2[C@H](CCN2c2ccc(C[NH+]3CCCC3)cn2)N1Cc1cccnc1 ZINC001164690469 719771605 /nfs/dbraw/zinc/77/16/05/719771605.db2.gz CJCDPWJLUGZXCB-VQTJNVASSA-N 1 0 377.492 2.452 20 0 GEADRO C[N@H+](Cc1ccc(N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)nc1)C1CC1 ZINC001164690705 719772736 /nfs/dbraw/zinc/77/27/36/719772736.db2.gz HEWQPQDKTMQQTR-WOJBJXKFSA-N 1 0 377.492 2.451 20 0 GEADRO O=C1C[C@@H]2[C@@H](CCN2c2ncccc2C[NH+]2CCCC2)N1Cc1cccnc1 ZINC001164690351 719776132 /nfs/dbraw/zinc/77/61/32/719776132.db2.gz ASJVZXAYYHGQOK-WOJBJXKFSA-N 1 0 377.492 2.452 20 0 GEADRO O=C1C[C@H]2[C@@H](CCN2c2ncccc2C[NH+]2CCCC2)N1Cc1cccnc1 ZINC001164690349 719776527 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CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(OCC3CC3)ncn1)CCC2 ZINC001164814707 720227604 /nfs/dbraw/zinc/22/76/04/720227604.db2.gz VWFWTGGDTLNOKU-UHFFFAOYSA-N 1 0 398.511 2.073 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(Cl)cc1N)CCC2 ZINC001164814556 720233738 /nfs/dbraw/zinc/23/37/38/720233738.db2.gz YJBGPGKIJMHJCF-UHFFFAOYSA-N 1 0 376.892 2.124 20 0 GEADRO Cc1nc(Cl)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164817889 720285025 /nfs/dbraw/zinc/28/50/25/720285025.db2.gz GQDPGQXOULMOFD-HZPDHXFCSA-N 1 0 377.920 2.350 20 0 GEADRO Cc1nc2ccoc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164818728 720287904 /nfs/dbraw/zinc/28/79/04/720287904.db2.gz MMPCEETUKLTKMD-QZTJIDSGSA-N 1 0 383.496 2.443 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3ncc[nH]3)ccn2)CC1 ZINC001164827107 720330441 /nfs/dbraw/zinc/33/04/41/720330441.db2.gz GUELGMZIUZIDSM-RBUKOAKNSA-N 1 0 394.523 2.383 20 0 GEADRO CSc1cncc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826672 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720559094 /nfs/dbraw/zinc/55/90/94/720559094.db2.gz OMZIWLYSNAWTPD-UHFFFAOYSA-N 1 0 385.903 2.477 20 0 GEADRO CC(C)(C)NC(=O)c1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164736898 720573533 /nfs/dbraw/zinc/57/35/33/720573533.db2.gz VLCCMEKOXTURTL-UHFFFAOYSA-N 1 0 396.539 2.465 20 0 GEADRO Cc1nc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ncc2[nH]1 ZINC001164834704 720575143 /nfs/dbraw/zinc/57/51/43/720575143.db2.gz FUNXQGUTNILLED-SOLBZPMBSA-N 1 0 380.500 2.187 20 0 GEADRO Cc1nc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ncc2[nH]1 ZINC001164834706 720575799 /nfs/dbraw/zinc/57/57/99/720575799.db2.gz FUNXQGUTNILLED-XYJFISCASA-N 1 0 380.500 2.187 20 0 GEADRO Cc1noc(-c2ccnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2)n1 ZINC001164736678 720583928 /nfs/dbraw/zinc/58/39/28/720583928.db2.gz QPFWKKJASJKRBP-UHFFFAOYSA-N 1 0 379.468 2.295 20 0 GEADRO Cc1nc2cc(F)ccc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741616 720661189 /nfs/dbraw/zinc/66/11/89/720661189.db2.gz UIRNTLFMNRDJLT-JKSUJKDBSA-N 1 0 380.427 2.209 20 0 GEADRO Clc1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737098 720669932 /nfs/dbraw/zinc/66/99/32/720669932.db2.gz DFKCVOWYQLKFQY-CABCVRRESA-N 1 0 382.855 2.415 20 0 GEADRO Clc1ccnc2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ncc12 ZINC001164737858 720686876 /nfs/dbraw/zinc/68/68/76/720686876.db2.gz HKZFNZFNNKBEMA-UONOGXRCSA-N 1 0 382.855 2.415 20 0 GEADRO CCOc1ccc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737354 720713447 /nfs/dbraw/zinc/71/34/47/720713447.db2.gz FYDUATWACWADAR-UONOGXRCSA-N 1 0 375.860 2.266 20 0 GEADRO Fc1ccccc1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164744703 720780740 /nfs/dbraw/zinc/78/07/40/720780740.db2.gz SAEIEFIVNOLNSU-HZPDHXFCSA-N 1 0 392.438 2.415 20 0 GEADRO CSc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164745443 720801325 /nfs/dbraw/zinc/80/13/25/720801325.db2.gz KKBGJRSWYWLNBY-CABCVRRESA-N 1 0 394.504 2.484 20 0 GEADRO 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ZINC001164870337 721265761 /nfs/dbraw/zinc/26/57/61/721265761.db2.gz WENKZOWCDUPLPB-UHFFFAOYSA-N 1 0 382.508 2.242 20 0 GEADRO Cc1nc(Cl)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1C ZINC001164875559 721276314 /nfs/dbraw/zinc/27/63/14/721276314.db2.gz XCWPZHLZPCZNKC-UHFFFAOYSA-N 1 0 394.947 2.359 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5ccccc54)C3)O2)CC1 ZINC001164889739 721384908 /nfs/dbraw/zinc/38/49/08/721384908.db2.gz LVFQEAMOIOJIPQ-PGRDOPGGSA-N 1 0 381.524 2.395 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc5ncccc54)C3)O2)CC1 ZINC001164891876 721389767 /nfs/dbraw/zinc/38/97/67/721389767.db2.gz RCGAPWLNFPMFTA-PGRDOPGGSA-N 1 0 381.524 2.395 20 0 GEADRO Cc1nc2[nH]ccc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890879 721393555 /nfs/dbraw/zinc/39/35/55/721393555.db2.gz OTFXBQPAFSATJF-LAUBAEHRSA-N 1 0 384.528 2.032 20 0 GEADRO Cc1nc2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2n1C ZINC001164889486 721412004 /nfs/dbraw/zinc/41/20/04/721412004.db2.gz 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Cn1ccc2c1ncnc2N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164806560 721535502 /nfs/dbraw/zinc/53/55/02/721535502.db2.gz OHTDLJGBTMMUCW-QRVBRYPASA-N 1 0 378.480 2.232 20 0 GEADRO C[C@@H]1C(=O)Nc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164910336 721538864 /nfs/dbraw/zinc/53/88/64/721538864.db2.gz UIEJUGCLTUUNLR-NOLJZWGESA-N 1 0 383.427 2.013 20 0 GEADRO CC(=O)Nc1cccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164802251 721553444 /nfs/dbraw/zinc/55/34/44/721553444.db2.gz HTSFTDHLNSLZHG-WFXMLNOXSA-N 1 0 381.480 2.303 20 0 GEADRO CCOC(=O)c1nccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903091 721557946 /nfs/dbraw/zinc/55/79/46/721557946.db2.gz AFUKSMLZZRQFDZ-WBVHZDCISA-N 1 0 386.427 2.134 20 0 GEADRO Cn1cnc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906120 721586219 /nfs/dbraw/zinc/58/62/19/721586219.db2.gz LNHVSDROOMYJKA-IBGZPJMESA-N 1 0 399.449 2.496 20 0 GEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2[C@@H](F)Oc2ccnc(Cl)c2)CC1 ZINC001165011123 721734204 /nfs/dbraw/zinc/73/42/04/721734204.db2.gz MJLLOYBYEHNTFB-QGZVFWFLSA-N 1 0 384.883 2.386 20 0 GEADRO CSc1nc(Cl)ncc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011970 721737899 /nfs/dbraw/zinc/73/78/99/721737899.db2.gz ZSCVRZRORDOYPP-UHFFFAOYSA-N 1 0 383.949 2.375 20 0 GEADRO Cc1cnc2n1CCN(C)C21CCN([C@H](F)Oc2ccc(Cl)nn2)CC1 ZINC001164919741 721821504 /nfs/dbraw/zinc/82/15/04/721821504.db2.gz VKZBHGVRQIULQZ-INIZCTEOSA-N 1 0 380.855 2.204 20 0 GEADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164920831 721872677 /nfs/dbraw/zinc/87/26/77/721872677.db2.gz AUNSXGSYQRBUTF-KBPBESRZSA-N 1 0 377.924 2.275 20 0 GEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2nc1N1CCCC1 ZINC001164925267 721877036 /nfs/dbraw/zinc/87/70/36/721877036.db2.gz NGNMAQQNMUIGCO-WOJBJXKFSA-N 1 0 380.540 2.445 20 0 GEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2nc1N1CCCC1 ZINC001164925265 721877127 /nfs/dbraw/zinc/87/71/27/721877127.db2.gz NGNMAQQNMUIGCO-VQTJNVASSA-N 1 0 380.540 2.445 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nc2)C1 ZINC001164933541 721878105 /nfs/dbraw/zinc/87/81/05/721878105.db2.gz MRHFYRLTXJJETF-HOJAQTOUSA-N 1 0 385.556 2.168 20 0 GEADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccncc2)nc2c1CCC2 ZINC001164934391 721884761 /nfs/dbraw/zinc/88/47/61/721884761.db2.gz RDVZSHUVAQJFBY-VQTJNVASSA-N 1 0 378.524 2.242 20 0 GEADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164947905 721962787 /nfs/dbraw/zinc/96/27/87/721962787.db2.gz RZCIWZLISTUDCU-NHCUHLMSSA-N 1 0 397.523 2.372 20 0 GEADRO COC(=O)c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1C(=O)OC ZINC001165046442 721966370 /nfs/dbraw/zinc/96/63/70/721966370.db2.gz MCBCRHMEFLLWJR-HNNXBMFYSA-N 1 0 375.469 2.500 20 0 GEADRO CN1c2cnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc2N2CCC[C@@H]2C1=O ZINC001165046499 721971071 /nfs/dbraw/zinc/97/10/71/721971071.db2.gz GGMJFAKUBBGICM-IAGOWNOFSA-N 1 0 384.528 2.267 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3CN(S(C)(=O)=O)C[C@@H]32)nc1 ZINC001164954918 721986000 /nfs/dbraw/zinc/98/60/00/721986000.db2.gz XVUHONGOZRVVMF-OTWHNJEPSA-N 1 0 392.569 2.489 20 0 GEADRO Cc1nc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncc2[nH]1 ZINC001164960684 722058462 /nfs/dbraw/zinc/05/84/62/722058462.db2.gz HONXIERVDGAIQK-UHFFFAOYSA-N 1 0 393.495 2.127 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@@H]3C2)nc1 ZINC001164980144 722096020 /nfs/dbraw/zinc/09/60/20/722096020.db2.gz LOBVRTOODJVVGT-DFQSSKMNSA-N 1 0 394.523 2.461 20 0 GEADRO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164974584 722102409 /nfs/dbraw/zinc/10/24/09/722102409.db2.gz APMRLWZAKCJCFG-PMACEKPBSA-N 1 0 396.491 2.381 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncnc5cccnc54)CC[C@@H]3C2)c1 ZINC001164980788 722104146 /nfs/dbraw/zinc/10/41/46/722104146.db2.gz KJWJQMCDDTZVEB-MJGOQNOKSA-N 1 0 376.464 2.147 20 0 GEADRO CC(=O)Nc1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978174 722117007 /nfs/dbraw/zinc/11/70/07/722117007.db2.gz NSRHJOOUIXKQCT-MOPGFXCFSA-N 1 0 381.480 2.162 20 0 GEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(C)cc4C[NH3+])CC[C@H]32)cs1 ZINC001164992802 722184439 /nfs/dbraw/zinc/18/44/39/722184439.db2.gz UJQQWXIRBZOGLX-RTBURBONSA-N 1 0 387.553 2.483 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3cc(F)ccc31)CCC2 ZINC001165000213 722251173 /nfs/dbraw/zinc/25/11/73/722251173.db2.gz MENLEWJKESKLNN-UHFFFAOYSA-N 1 0 384.459 2.454 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3cccc(F)c31)CCC2 ZINC001165001823 722254143 /nfs/dbraw/zinc/25/41/43/722254143.db2.gz GNDUXOULGIVXQN-UHFFFAOYSA-N 1 0 384.459 2.454 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3ncc(F)cc3n1)CCC2 ZINC001165002214 722255661 /nfs/dbraw/zinc/25/56/61/722255661.db2.gz LOBWDZVQOOKKOL-UHFFFAOYSA-N 1 0 384.459 2.454 20 0 GEADRO CC(C)COc1nccnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165003389 722257358 /nfs/dbraw/zinc/25/73/58/722257358.db2.gz BMFFEKCHORVZTE-UHFFFAOYSA-N 1 0 388.516 2.196 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000151756681 531519483 /nfs/dbraw/zinc/51/94/83/531519483.db2.gz JGYUIYBOXCXQIT-GFCCVEGCSA-N 1 0 396.289 2.096 20 0 GEADRO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000151418834 531500324 /nfs/dbraw/zinc/50/03/24/531500324.db2.gz DQQMKFSYBGDYEZ-AWEZNQCLSA-N 1 0 396.329 2.335 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(C)nc3Br)C2)CC1 ZINC000151541462 531509214 /nfs/dbraw/zinc/50/92/14/531509214.db2.gz ACWXJKRHLLOCBJ-CQSZACIVSA-N 1 0 396.333 2.396 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151945503 531523527 /nfs/dbraw/zinc/52/35/27/531523527.db2.gz HKRLRLXSHQAKKL-JQWIXIFHSA-N 1 0 396.285 2.138 20 0 GEADRO COc1ccc(Br)cc1CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000152126639 531531743 /nfs/dbraw/zinc/53/17/43/531531743.db2.gz RVPKTIKJMZTTMW-MRXNPFEDSA-N 1 0 399.329 2.353 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000152280728 531540550 /nfs/dbraw/zinc/54/05/50/531540550.db2.gz QEGBHRBSYDLCQE-INIZCTEOSA-N 1 0 384.307 2.301 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000152190586 531535633 /nfs/dbraw/zinc/53/56/33/531535633.db2.gz HCBCKEVFPVGASY-OAHLLOKOSA-N 1 0 387.293 2.484 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000152508582 531556354 /nfs/dbraw/zinc/55/63/54/531556354.db2.gz MFUUPJJIVFDYQK-CYBMUJFWSA-N 1 0 380.286 2.297 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Br)ccc2O)CC1 ZINC000152572517 531558674 /nfs/dbraw/zinc/55/86/74/531558674.db2.gz JXKLMXISTUAIIM-CYBMUJFWSA-N 1 0 384.318 2.158 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)COc1ccc2ccccc2c1Br ZINC000152730001 531568091 /nfs/dbraw/zinc/56/80/91/531568091.db2.gz QRQMCAXVUFCVLR-GOSISDBHSA-N 1 0 395.297 2.410 20 0 GEADRO NC(=O)N1CCC([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000152745370 531570125 /nfs/dbraw/zinc/57/01/25/531570125.db2.gz FLKMCBLCABNLOA-CYBMUJFWSA-N 1 0 381.318 2.408 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000152828917 531573323 /nfs/dbraw/zinc/57/33/23/531573323.db2.gz WOKXGPIAQNBSQA-INIZCTEOSA-N 1 0 384.307 2.301 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152841697 531573606 /nfs/dbraw/zinc/57/36/06/531573606.db2.gz IDVYYVVAKPYFBE-BZNIZROVSA-N 1 0 375.282 2.196 20 0 GEADRO COC1(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000152874743 531575582 /nfs/dbraw/zinc/57/55/82/531575582.db2.gz CZHSIQXRZDNKBY-OAHLLOKOSA-N 1 0 383.286 2.118 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000153011181 531583597 /nfs/dbraw/zinc/58/35/97/531583597.db2.gz CLPPGHVDDRRVJP-GJZGRUSLSA-N 1 0 382.346 2.380 20 0 GEADRO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000153063028 531586334 /nfs/dbraw/zinc/58/63/34/531586334.db2.gz SGQLASYUGGWKNL-ZBFHGGJFSA-N 1 0 375.270 2.239 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1 ZINC000023899360 531601244 /nfs/dbraw/zinc/60/12/44/531601244.db2.gz GFELAHCECSOTEX-UHFFFAOYSA-N 1 0 380.242 2.472 20 0 GEADRO COC1(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000153745038 531606977 /nfs/dbraw/zinc/60/69/77/531606977.db2.gz WEYFEKNATDUCRN-OAHLLOKOSA-N 1 0 383.286 2.118 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000153714396 531607763 /nfs/dbraw/zinc/60/77/63/531607763.db2.gz YPRPZLOEGISLGF-SNVBAGLBSA-N 1 0 375.803 2.338 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cncc(Br)c1)[NH+]1CCCC1 ZINC000153910092 531612482 /nfs/dbraw/zinc/61/24/82/531612482.db2.gz PNRYJJDZISPKHE-CQSZACIVSA-N 1 0 383.290 2.019 20 0 GEADRO CN(C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@H]1CCC[N@H+](C)C1 ZINC000153981807 531617117 /nfs/dbraw/zinc/61/71/17/531617117.db2.gz ZRHOAZADZAWPHK-JTQLQIEISA-N 1 0 384.263 2.142 20 0 GEADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000154000254 531617480 /nfs/dbraw/zinc/61/74/80/531617480.db2.gz CEIAJOFEWSEHMF-CYBMUJFWSA-N 1 0 382.302 2.027 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Cc1csc(N2CCCC2=O)n1)c1cccs1 ZINC000027677748 531626681 /nfs/dbraw/zinc/62/66/81/531626681.db2.gz NOPXOAAMNGSSIX-CYBMUJFWSA-N 1 0 378.523 2.293 20 0 GEADRO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000154676540 531627421 /nfs/dbraw/zinc/62/74/21/531627421.db2.gz STKDAHHEHOYDBB-ZDUSSCGKSA-N 1 0 388.559 2.031 20 0 GEADRO COC1(C(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]CC1 ZINC000154672883 531627800 /nfs/dbraw/zinc/62/78/00/531627800.db2.gz ZJDHINYOPVPDHD-UHFFFAOYSA-N 1 0 396.175 2.277 20 0 GEADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000030332115 531634901 /nfs/dbraw/zinc/63/49/01/531634901.db2.gz ADJVXWUTMAYBDY-UHFFFAOYSA-N 1 0 385.917 2.330 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000154784652 531632603 /nfs/dbraw/zinc/63/26/03/531632603.db2.gz IJUGJQMLBBXLEA-UHFFFAOYSA-N 1 0 394.313 2.266 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)COc2ccc(Br)cc2)CC1 ZINC000042593762 531669810 /nfs/dbraw/zinc/66/98/10/531669810.db2.gz STQDEJQHWMMHGT-UHFFFAOYSA-N 1 0 398.345 2.362 20 0 GEADRO CC(C)C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCC1)[NH+](C)C ZINC000042587345 531670329 /nfs/dbraw/zinc/67/03/29/531670329.db2.gz YODHPPFFXKBTNH-AWEZNQCLSA-N 1 0 387.571 2.239 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc2ncc(I)n2c1 ZINC000155017031 531649517 /nfs/dbraw/zinc/64/95/17/531649517.db2.gz KGFJWJODFFVPLD-GHMZBOCLSA-N 1 0 398.248 2.104 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000041719947 531667706 /nfs/dbraw/zinc/66/77/06/531667706.db2.gz FVPJJIHMEZPJIO-UHFFFAOYSA-N 1 0 387.311 2.076 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044560325 531682154 /nfs/dbraw/zinc/68/21/54/531682154.db2.gz XOMPUWKKADMBLO-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000155422922 531684256 /nfs/dbraw/zinc/68/42/56/531684256.db2.gz HPXWDSUFWQHTHV-PHIMTYICSA-N 1 0 388.331 2.134 20 0 GEADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000155648870 531694694 /nfs/dbraw/zinc/69/46/94/531694694.db2.gz GGRFSGWDZYIGDE-NHYWBVRUSA-N 1 0 397.317 2.395 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000155681460 531695833 /nfs/dbraw/zinc/69/58/33/531695833.db2.gz PKMVUPOHZFVMFS-UHFFFAOYSA-N 1 0 388.693 2.499 20 0 GEADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000155744289 531698008 /nfs/dbraw/zinc/69/80/08/531698008.db2.gz CKJQPPYKXIDQNJ-HNNXBMFYSA-N 1 0 380.432 2.488 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000046275606 531701678 /nfs/dbraw/zinc/70/16/78/531701678.db2.gz XYLUHBKTWTWOSW-LBPRGKRZSA-N 1 0 375.922 2.050 20 0 GEADRO C[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000046408814 531703548 /nfs/dbraw/zinc/70/35/48/531703548.db2.gz RBGZKDAPRWFAND-CYBMUJFWSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000156295072 531727551 /nfs/dbraw/zinc/72/75/51/531727551.db2.gz YVDFGHVLENRGGU-UWVGGRQHSA-N 1 0 398.248 2.367 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047525864 531715407 /nfs/dbraw/zinc/71/54/07/531715407.db2.gz VTPNTVDFLQQKKP-CQSZACIVSA-N 1 0 394.269 2.157 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000157281692 531737652 /nfs/dbraw/zinc/73/76/52/531737652.db2.gz ZMFQCIDKWSXWJY-UHFFFAOYSA-N 1 0 396.329 2.433 20 0 GEADRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000157282938 531737812 /nfs/dbraw/zinc/73/78/12/531737812.db2.gz PGNIFVMNVXLMHP-WBMJQRKESA-N 1 0 384.318 2.287 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1cc(Br)ccc1Br ZINC000053254455 531757953 /nfs/dbraw/zinc/75/79/53/531757953.db2.gz DDIOSYAQDLIBAA-SECBINFHSA-N 1 0 398.120 2.242 20 0 GEADRO Cc1c(C(=O)N[C@@](C)(C[NH3+])C(C)C)nnn1-c1cccc(Br)c1 ZINC000158134555 531766642 /nfs/dbraw/zinc/76/66/42/531766642.db2.gz QYJTTWMNORYWNH-INIZCTEOSA-N 1 0 380.290 2.441 20 0 GEADRO COc1ccc(Br)c(CC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000157904642 531759727 /nfs/dbraw/zinc/75/97/27/531759727.db2.gz NEMNJIFWFBOOAG-UHFFFAOYSA-N 1 0 398.345 2.144 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000053304318 531760669 /nfs/dbraw/zinc/76/06/69/531760669.db2.gz JNIDVAYVWOCCLQ-OKILXGFUSA-N 1 0 398.345 2.484 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000509812387 531783097 /nfs/dbraw/zinc/78/30/97/531783097.db2.gz UKEBRGDSUKMQFW-JTQLQIEISA-N 1 0 384.267 2.184 20 0 GEADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158221799 531772048 /nfs/dbraw/zinc/77/20/48/531772048.db2.gz WIIHGNWIZYQTEQ-MAUKXSAKSA-N 1 0 392.297 2.014 20 0 GEADRO CCC[NH+]1CCC(NC(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000054147395 531772994 /nfs/dbraw/zinc/77/29/94/531772994.db2.gz OKOFXJOKERGDAA-UHFFFAOYSA-N 1 0 386.290 2.105 20 0 GEADRO CN(CC[NH2+]Cc1ccc(-n2cccn2)cc1)S(=O)(=O)c1cccs1 ZINC000158331530 531775558 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COCC[N@H+](C)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000056974566 531815219 /nfs/dbraw/zinc/81/52/19/531815219.db2.gz LMXWQRDDYKXUMN-CYBMUJFWSA-N 1 0 387.933 2.091 20 0 GEADRO CN1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC1=O ZINC000056996993 531816621 /nfs/dbraw/zinc/81/66/21/531816621.db2.gz XSQCAXDXMXQGEU-HNNXBMFYSA-N 1 0 396.329 2.208 20 0 GEADRO Cn1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1=O ZINC000056996978 531817049 /nfs/dbraw/zinc/81/70/49/531817049.db2.gz GSWUGNPWQXUGRS-UHFFFAOYSA-N 1 0 392.297 2.352 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c(Cl)cc1F ZINC000161642981 531833944 /nfs/dbraw/zinc/83/39/44/531833944.db2.gz OIYUKFKLEDPGAN-CYBMUJFWSA-N 1 0 378.897 2.159 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cn(C)nc2C)c1 ZINC000162136561 531835345 /nfs/dbraw/zinc/83/53/45/531835345.db2.gz FCZXULGCBBDKRG-UHFFFAOYSA-N 1 0 395.301 2.409 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000162183011 531836884 /nfs/dbraw/zinc/83/68/84/531836884.db2.gz ZABITCYIQBHEFC-CYBMUJFWSA-N 1 0 389.315 2.147 20 0 GEADRO CC(C)C(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000061022295 531848849 /nfs/dbraw/zinc/84/88/49/531848849.db2.gz CTZBJMCWHUSMIF-MRXNPFEDSA-N 1 0 399.329 2.425 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000162769683 531848867 /nfs/dbraw/zinc/84/88/67/531848867.db2.gz ZUUKUMRQGBREOB-INIZCTEOSA-N 1 0 384.293 2.327 20 0 GEADRO CC(C)OC[C@H](O)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000162832887 531851649 /nfs/dbraw/zinc/85/16/49/531851649.db2.gz MNAYDQVNOVMVGI-OAHLLOKOSA-N 1 0 389.309 2.492 20 0 GEADRO O=C(COc1ccc(I)cc1)NCCC[NH+]1CCCC1 ZINC000061547753 531852311 /nfs/dbraw/zinc/85/23/11/531852311.db2.gz NZVQLXANNYKMKT-UHFFFAOYSA-N 1 0 388.249 2.272 20 0 GEADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(Br)nc1)C(C)C ZINC000162902929 531853754 /nfs/dbraw/zinc/85/37/54/531853754.db2.gz HNXNTGPKOCEJFA-UHFFFAOYSA-N 1 0 385.306 2.408 20 0 GEADRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1Br ZINC000162465631 531842938 /nfs/dbraw/zinc/84/29/38/531842938.db2.gz YOZAYIJJDLAQNW-AWEZNQCLSA-N 1 0 382.302 2.075 20 0 GEADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000162639169 531845967 /nfs/dbraw/zinc/84/59/67/531845967.db2.gz LZJAAAYJDQJBKJ-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000162707463 531847297 /nfs/dbraw/zinc/84/72/97/531847297.db2.gz LYFNZSQVDBMHDK-CABCVRRESA-N 1 0 390.571 2.048 20 0 GEADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000062240773 531857054 /nfs/dbraw/zinc/85/70/54/531857054.db2.gz ABNYNZUVAHTKSK-NSHDSACASA-N 1 0 388.295 2.475 20 0 GEADRO O=C(C[NH2+]CC1CC1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000165378914 531872635 /nfs/dbraw/zinc/87/26/35/531872635.db2.gz CDGXYVDZVXHPMT-ZDUSSCGKSA-N 1 0 395.301 2.021 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000165382121 531873490 /nfs/dbraw/zinc/87/34/90/531873490.db2.gz HAKGTRWRRPKRHX-AWEZNQCLSA-N 1 0 395.301 2.163 20 0 GEADRO Cc1noc(C)c1CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000165843346 531874330 /nfs/dbraw/zinc/87/43/30/531874330.db2.gz VRTPMLASZXFAPW-UHFFFAOYSA-N 1 0 383.436 2.122 20 0 GEADRO O=C(Nc1ccc(Br)nc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000165862464 531874975 /nfs/dbraw/zinc/87/49/75/531874975.db2.gz XBDOTRDVDFLGRO-CYBMUJFWSA-N 1 0 383.290 2.420 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(Cl)c1 ZINC000066391616 531875195 /nfs/dbraw/zinc/87/51/95/531875195.db2.gz IFHRVYNGCVEFHW-NTZNESFSSA-N 1 0 376.881 2.164 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000170918073 531893487 /nfs/dbraw/zinc/89/34/87/531893487.db2.gz XZNBIJDPAFIKOC-UHFFFAOYSA-N 1 0 389.315 2.068 20 0 GEADRO CC(C)(O)C[NH+]1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000171148835 531896726 /nfs/dbraw/zinc/89/67/26/531896726.db2.gz ALAPHGWHBFFURY-UHFFFAOYSA-N 1 0 380.539 2.199 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000067393770 531885060 /nfs/dbraw/zinc/88/50/60/531885060.db2.gz NRLZARDWPYACHX-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCc2cccc(Br)c2)CC1 ZINC000067637466 531886779 /nfs/dbraw/zinc/88/67/79/531886779.db2.gz VLHXFUMZMLVSIT-MRXNPFEDSA-N 1 0 384.318 2.341 20 0 GEADRO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)Nc1ccccc1Br ZINC000069029428 531908924 /nfs/dbraw/zinc/90/89/24/531908924.db2.gz PYUKNHMNDCQUMI-UHFFFAOYSA-N 1 0 396.329 2.432 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCc1cc(Br)ccc1OC ZINC000171669910 531909593 /nfs/dbraw/zinc/90/95/93/531909593.db2.gz POUAVEADSMWKCS-UHFFFAOYSA-N 1 0 388.306 2.177 20 0 GEADRO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000069030268 531909694 /nfs/dbraw/zinc/90/96/94/531909694.db2.gz MRCREGBZKUUGMA-UHFFFAOYSA-N 1 0 396.329 2.432 20 0 GEADRO C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000171698730 531912720 /nfs/dbraw/zinc/91/27/20/531912720.db2.gz ABWRWVZFCFJTOA-UONOGXRCSA-N 1 0 383.334 2.445 20 0 GEADRO C[C@H](C(=O)Nc1nccs1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000068334074 531903339 /nfs/dbraw/zinc/90/33/39/531903339.db2.gz JIPBUJGVYXMDLA-GFCCVEGCSA-N 1 0 380.436 2.057 20 0 GEADRO COC(=O)[C@@H](C)C[N@H+](C[C@H](O)COc1ccc(Br)cc1)C1CC1 ZINC000171301828 531904168 /nfs/dbraw/zinc/90/41/68/531904168.db2.gz VFQGDBVWMJDOGI-WFASDCNBSA-N 1 0 386.286 2.462 20 0 GEADRO [NH3+]C1(CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCOCC1 ZINC000625890634 531917700 /nfs/dbraw/zinc/91/77/00/531917700.db2.gz PPJRIEQJRKFZQJ-UHFFFAOYSA-N 1 0 394.273 2.264 20 0 GEADRO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000093988888 531929220 /nfs/dbraw/zinc/92/92/20/531929220.db2.gz DINZJDLIJBNKQC-STQMWFEESA-N 1 0 378.274 2.242 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000093988462 531929433 /nfs/dbraw/zinc/92/94/33/531929433.db2.gz UCESFPSQCUPFPU-AXFHLTTASA-N 1 0 388.331 2.228 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000172207838 531939563 /nfs/dbraw/zinc/93/95/63/531939563.db2.gz WWTJYBBIUNULPG-VIFPVBQESA-N 1 0 382.711 2.070 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000172029681 531931332 /nfs/dbraw/zinc/93/13/32/531931332.db2.gz FCQPAMYZIRDGTL-KBPBESRZSA-N 1 0 394.313 2.212 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](O)CO)cc1Br ZINC000097514518 531936065 /nfs/dbraw/zinc/93/60/65/531936065.db2.gz HLYSTEALKNUZEV-SECBINFHSA-N 1 0 383.080 2.053 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000097602727 531937491 /nfs/dbraw/zinc/93/74/91/531937491.db2.gz QEVRNPRWGXKQFJ-GHMZBOCLSA-N 1 0 377.304 2.219 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000109182402 531942591 /nfs/dbraw/zinc/94/25/91/531942591.db2.gz WPNYENQMOQFIMK-OAHLLOKOSA-N 1 0 388.295 2.141 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000172309239 531946472 /nfs/dbraw/zinc/94/64/72/531946472.db2.gz RVBYFNSYWLVUQW-YDBLSZJJSA-N 1 0 387.933 2.004 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000112634325 531948974 /nfs/dbraw/zinc/94/89/74/531948974.db2.gz PIVAHZGJZRPREX-GFCCVEGCSA-N 1 0 378.270 2.457 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000112638941 531949002 /nfs/dbraw/zinc/94/90/02/531949002.db2.gz SGFJQDHFJBQADL-QGZVFWFLSA-N 1 0 395.345 2.099 20 0 GEADRO C[NH+](C)C1(CNC(=O)CCOc2ccccc2Br)CCOCC1 ZINC000114055006 531954596 /nfs/dbraw/zinc/95/45/96/531954596.db2.gz KIGMCJKZEHVXMZ-UHFFFAOYSA-N 1 0 385.302 2.445 20 0 GEADRO C[NH+](C)C[C@H]1CCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000114198548 531956439 /nfs/dbraw/zinc/95/64/39/531956439.db2.gz ANAQTUGGFILWLD-GFCCVEGCSA-N 1 0 387.265 2.113 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CCOCC1 ZINC000114211174 531956575 /nfs/dbraw/zinc/95/65/75/531956575.db2.gz RWGKUBHNHXAHLI-UHFFFAOYSA-N 1 0 398.859 2.331 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119297236 531965930 /nfs/dbraw/zinc/96/59/30/531965930.db2.gz JMOAYDAKCGEEBF-NHYWBVRUSA-N 1 0 382.302 2.495 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000119285198 531966289 /nfs/dbraw/zinc/96/62/89/531966289.db2.gz HVHXPBPQICYKHF-HZMBPMFUSA-N 1 0 386.265 2.325 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119452614 531968465 /nfs/dbraw/zinc/96/84/65/531968465.db2.gz JLVXMRNVKHAQBL-LLVKDONJSA-N 1 0 389.315 2.220 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1c(C)cccc1I ZINC000119470519 531968943 /nfs/dbraw/zinc/96/89/43/531968943.db2.gz DRAARZOOMYJTMM-UHFFFAOYSA-N 1 0 390.265 2.298 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1coc(S(=O)(=O)NC)c1)c1ccsc1 ZINC000119471679 531970282 /nfs/dbraw/zinc/97/02/82/531970282.db2.gz NSQCPLYUHSRKRL-AWEZNQCLSA-N 1 0 385.511 2.062 20 0 GEADRO COc1ccc(Br)cc1CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000172914678 531974503 /nfs/dbraw/zinc/97/45/03/531974503.db2.gz YPTGHJUTHRDCHT-UHFFFAOYSA-N 1 0 381.274 2.397 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)c1cccc(F)c1 ZINC000172981395 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CCN1CC[NH+](CCCCNC(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000124792011 532130010 /nfs/dbraw/zinc/13/00/10/532130010.db2.gz UECUCJLOOHNIAH-UHFFFAOYSA-N 1 0 380.440 2.096 20 0 GEADRO CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCCN2CCc3sccc3C2)C1 ZINC000176451126 532137590 /nfs/dbraw/zinc/13/75/90/532137590.db2.gz BFOFWOPDFVEUTO-JAUXOLPYSA-N 1 0 383.583 2.485 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCN(CC[NH+]3CCC(C)CC3)CC2)c(C)s1 ZINC000176816613 532150509 /nfs/dbraw/zinc/15/05/09/532150509.db2.gz OWQSTQKOEQOCHC-UHFFFAOYSA-N 1 0 385.599 2.403 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000176826410 532151470 /nfs/dbraw/zinc/15/14/70/532151470.db2.gz GQPUGDYBGXKODR-UHFFFAOYSA-N 1 0 385.306 2.232 20 0 GEADRO Cc1cc(Br)cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000127066941 532152385 /nfs/dbraw/zinc/15/23/85/532152385.db2.gz VLEPOUIGNJYACH-ZDUSSCGKSA-N 1 0 382.302 2.075 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1csc(I)c1 ZINC000176861727 532152428 /nfs/dbraw/zinc/15/24/28/532152428.db2.gz AZVLPIQSSRFKTO-LLVKDONJSA-N 1 0 396.294 2.439 20 0 GEADRO CN(CC[NH+](C)C)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000176890979 532154080 /nfs/dbraw/zinc/15/40/80/532154080.db2.gz WZIJQCOHQCMGKX-UHFFFAOYSA-N 1 0 385.306 2.311 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)c1ccc(Br)s1 ZINC000176631659 532143802 /nfs/dbraw/zinc/14/38/02/532143802.db2.gz PKJXAMXZXZYFLC-MNOVXSKESA-N 1 0 388.331 2.039 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(Br)cc3O)CC2)CC1 ZINC000176630289 532144115 /nfs/dbraw/zinc/14/41/15/532144115.db2.gz INRYOOXDVJHWHV-UHFFFAOYSA-N 1 0 396.329 2.254 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000125967914 532144292 /nfs/dbraw/zinc/14/42/92/532144292.db2.gz CUQIJYGCVWCQLI-CZUORRHYSA-N 1 0 394.313 2.258 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000126275161 532147341 /nfs/dbraw/zinc/14/73/41/532147341.db2.gz TVOARFFVXBHFSC-MNOVXSKESA-N 1 0 389.315 2.361 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000126432910 532148280 /nfs/dbraw/zinc/14/82/80/532148280.db2.gz BDMGLDOFOHLBFI-IUODEOHRSA-N 1 0 390.347 2.405 20 0 GEADRO CCOC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)o1 ZINC000176792722 532149909 /nfs/dbraw/zinc/14/99/09/532149909.db2.gz YXEBGYCMXAQJGF-UHFFFAOYSA-N 1 0 386.495 2.270 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccnc2Br)CC1 ZINC000128806390 532168818 /nfs/dbraw/zinc/16/88/18/532168818.db2.gz XAZLJBAEKLBIKS-AWEZNQCLSA-N 1 0 381.318 2.086 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000176920089 532155851 /nfs/dbraw/zinc/15/58/51/532155851.db2.gz XSBGVWMTJLKCBM-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000176939283 532156764 /nfs/dbraw/zinc/15/67/64/532156764.db2.gz HBTBTETUSXRBAV-UHFFFAOYSA-N 1 0 385.349 2.066 20 0 GEADRO C[NH+](C)C1CCN(CC(=O)Nc2ccccc2I)CC1 ZINC000127932622 532159009 /nfs/dbraw/zinc/15/90/09/532159009.db2.gz 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BWFLAGIBUJCIQC-YOEHRIQHSA-N 1 0 379.254 2.193 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000130049445 532189260 /nfs/dbraw/zinc/18/92/60/532189260.db2.gz XQFDLFNFJDIUEI-ZDUSSCGKSA-N 1 0 388.295 2.285 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000177983082 532189927 /nfs/dbraw/zinc/18/99/27/532189927.db2.gz NOMQJZLLUFZKEU-UHFFFAOYSA-N 1 0 385.306 2.390 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000178953071 532218980 /nfs/dbraw/zinc/21/89/80/532218980.db2.gz NHBMIHUGJNKDPK-KRWDZBQOSA-N 1 0 391.940 2.171 20 0 GEADRO COc1cc(CNC(=O)C[C@@H]2CSCC[NH2+]2)ccc1OCC(F)(F)F ZINC000132025609 532207934 /nfs/dbraw/zinc/20/79/34/532207934.db2.gz ZCYABLKXFPRNII-GFCCVEGCSA-N 1 0 378.416 2.348 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000132082973 532208263 /nfs/dbraw/zinc/20/82/63/532208263.db2.gz ORNMGCPQVBOUEH-LBPRGKRZSA-N 1 0 375.416 2.226 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000178842455 532214942 /nfs/dbraw/zinc/21/49/42/532214942.db2.gz HNMLYOLOJVEUGT-BLLLJJGKSA-N 1 0 381.929 2.441 20 0 GEADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)N1CC[C@@H]([NH3+])C1 ZINC000132494638 532216354 /nfs/dbraw/zinc/21/63/54/532216354.db2.gz UBKKTVVUBVOLGP-YFCVBGDOSA-N 1 0 383.286 2.437 20 0 GEADRO Cn1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc(Br)c1=O ZINC000178964652 532218667 /nfs/dbraw/zinc/21/86/67/532218667.db2.gz IAQGJAYPABDKAW-CYBMUJFWSA-N 1 0 383.290 2.240 20 0 GEADRO C[C@@H]([NH2+]CCc1cscn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000178470752 532202873 /nfs/dbraw/zinc/20/28/73/532202873.db2.gz FOQPLXMNEOKMDU-CQSZACIVSA-N 1 0 381.523 2.057 20 0 GEADRO CCC[C@@H](NC(=O)c1csc(CN)n1)C(=O)N1CCc2sccc2C1 ZINC000178489770 532203090 /nfs/dbraw/zinc/20/30/90/532203090.db2.gz QUYOXPWKARVYBV-GFCCVEGCSA-N 1 0 378.523 2.147 20 0 GEADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000179332548 532228593 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CC(C)C[C@H](CNC(=O)c1cc(Cn2cc(Br)cn2)on1)[NH+](C)C ZINC000132837702 532221532 /nfs/dbraw/zinc/22/15/32/532221532.db2.gz CBVXANVILZHPAM-CYBMUJFWSA-N 1 0 398.305 2.388 20 0 GEADRO CC(C)c1ncc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)s1 ZINC000132805276 532221678 /nfs/dbraw/zinc/22/16/78/532221678.db2.gz BZFQTSMABUVMQZ-UHFFFAOYSA-N 1 0 387.571 2.329 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)N(C)[C@@H]3CC[NH2+]C3)[nH]c(=O)c2c1C ZINC000179081014 532221720 /nfs/dbraw/zinc/22/17/20/532221720.db2.gz ZPBGFVYPBANISI-VXGBXAGGSA-N 1 0 380.539 2.043 20 0 GEADRO C[C@@H](CNC(=O)Cc1ccc(Br)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000133095345 532226417 /nfs/dbraw/zinc/22/64/17/532226417.db2.gz YONUSIVJPFFEIN-ZDUSSCGKSA-N 1 0 386.309 2.130 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000133736516 532241688 /nfs/dbraw/zinc/24/16/88/532241688.db2.gz XQTGZNQQXVACCV-HUUCEWRRSA-N 1 0 395.345 2.475 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000133804308 532243908 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CC1(C)CC(NC(=O)C(=O)Nc2ccc(Br)nc2)CC(C)(C)[NH2+]1 ZINC000134036941 532248936 /nfs/dbraw/zinc/24/89/36/532248936.db2.gz DMCFVBTVYZZSMX-UHFFFAOYSA-N 1 0 383.290 2.208 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000134157102 532250733 /nfs/dbraw/zinc/25/07/33/532250733.db2.gz KBPCDRNFDJDXEY-AWEZNQCLSA-N 1 0 383.290 2.171 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000179556344 532235977 /nfs/dbraw/zinc/23/59/77/532235977.db2.gz IOABAYJPGOOIQI-GFCCVEGCSA-N 1 0 397.317 2.329 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2c(c(Br)c1)OCO2 ZINC000179608986 532237789 /nfs/dbraw/zinc/23/77/89/532237789.db2.gz DEGIUKOLFCDVFB-CYBMUJFWSA-N 1 0 399.285 2.145 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000133537429 532238055 /nfs/dbraw/zinc/23/80/55/532238055.db2.gz SNTGBIVXASKXIO-UHFFFAOYSA-N 1 0 386.290 2.009 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134312817 532254276 /nfs/dbraw/zinc/25/42/76/532254276.db2.gz SLFDKYQWLGSBQG-HNNXBMFYSA-N 1 0 384.293 2.376 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000180150953 532258944 /nfs/dbraw/zinc/25/89/44/532258944.db2.gz FGXXZBHDBGLHMG-UHFFFAOYSA-N 1 0 379.302 2.298 20 0 GEADRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)sc1Br ZINC000134613189 532259427 /nfs/dbraw/zinc/25/94/27/532259427.db2.gz CJUYWLVQXRYZKE-LLVKDONJSA-N 1 0 390.347 2.133 20 0 GEADRO CC(C)[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1F ZINC000180258422 532263698 /nfs/dbraw/zinc/26/36/98/532263698.db2.gz XSDNODIVFKDREK-MRXNPFEDSA-N 1 0 388.896 2.478 20 0 GEADRO Cc1ccc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1Cl ZINC000135080067 532266819 /nfs/dbraw/zinc/26/68/19/532266819.db2.gz KVEFNMGOHCZUQD-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cccnc2Br)CC1 ZINC000135222954 532269142 /nfs/dbraw/zinc/26/91/42/532269142.db2.gz UYPFOEBPEQKJNX-GJZGRUSLSA-N 1 0 395.345 2.475 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccncc1I ZINC000135263574 532269346 /nfs/dbraw/zinc/26/93/46/532269346.db2.gz FLLULPHOPGWCHW-NWDGAFQWSA-N 1 0 385.249 2.385 20 0 GEADRO COc1cc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)ccc1Br ZINC000180363140 532269439 /nfs/dbraw/zinc/26/94/39/532269439.db2.gz PMQQPMMAVDHPJP-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO COc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1OC(F)F ZINC000180628471 532276296 /nfs/dbraw/zinc/27/62/96/532276296.db2.gz SNKKPDZEFPYLBT-UHFFFAOYSA-N 1 0 378.441 2.152 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cnc2ccsc2c1 ZINC000180745243 532279758 /nfs/dbraw/zinc/27/97/58/532279758.db2.gz XRSKSHFATQJJCR-DZGCQCFKSA-N 1 0 383.539 2.435 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000180788658 532280630 /nfs/dbraw/zinc/28/06/30/532280630.db2.gz FESUDSHQCXGVFK-SNVBAGLBSA-N 1 0 387.228 2.332 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccs2)cc1 ZINC000180831925 532282410 /nfs/dbraw/zinc/28/24/10/532282410.db2.gz SAPWTAYIQVSXKS-ZDUSSCGKSA-N 1 0 381.523 2.127 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1cccnc1Cl ZINC000180983546 532287716 /nfs/dbraw/zinc/28/77/16/532287716.db2.gz QJVNFDXGOGGINN-ZDUSSCGKSA-N 1 0 387.933 2.359 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cc2c(cc1Br)OCCO2 ZINC000180480217 532272678 /nfs/dbraw/zinc/27/26/78/532272678.db2.gz LOADBXIIFANFBP-NWDGAFQWSA-N 1 0 382.258 2.129 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000181126194 532291441 /nfs/dbraw/zinc/29/14/41/532291441.db2.gz HGNTULHCVSOAJU-CYBMUJFWSA-N 1 0 383.286 2.465 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000181295415 532295249 /nfs/dbraw/zinc/29/52/49/532295249.db2.gz NDWKFJHOQOOHLG-ZDUSSCGKSA-N 1 0 383.290 2.339 20 0 GEADRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141683442 532295319 /nfs/dbraw/zinc/29/53/19/532295319.db2.gz PDPLOSOUYOGPOZ-CYBMUJFWSA-N 1 0 376.400 2.290 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000181341530 532295755 /nfs/dbraw/zinc/29/57/55/532295755.db2.gz UYOJCSFYQNNUKR-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccnc1Br)c1cccs1 ZINC000181336788 532296066 /nfs/dbraw/zinc/29/60/66/532296066.db2.gz AVJNBVSRJHKIDI-LLVKDONJSA-N 1 0 397.298 2.263 20 0 GEADRO C[C@@H](Sc1nncn1C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145689904 532298067 /nfs/dbraw/zinc/29/80/67/532298067.db2.gz UCJBZZQTOVGMJZ-CYBMUJFWSA-N 1 0 379.555 2.386 20 0 GEADRO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)s1 ZINC000181476057 532299545 /nfs/dbraw/zinc/29/95/45/532299545.db2.gz PTAGAJUVFWRIAR-KRWDZBQOSA-N 1 0 380.535 2.410 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000181512217 532300413 /nfs/dbraw/zinc/30/04/13/532300413.db2.gz HIFVBTULPCBNEL-JCQPUDPBSA-N 1 0 386.564 2.423 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C[NH2+]CC3CC3)n2)cc1 ZINC000150773713 532301302 /nfs/dbraw/zinc/30/13/02/532301302.db2.gz DLYFSCUOXFSTOT-UHFFFAOYSA-N 1 0 380.495 2.120 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150799690 532302158 /nfs/dbraw/zinc/30/21/58/532302158.db2.gz SHXFGCDVGOERCR-CQSZACIVSA-N 1 0 391.317 2.343 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000182031698 532308582 /nfs/dbraw/zinc/30/85/82/532308582.db2.gz KPCHPYBHEUUSQE-LBPRGKRZSA-N 1 0 399.285 2.007 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000150879569 532303482 /nfs/dbraw/zinc/30/34/82/532303482.db2.gz PSSQDSVRPRXKOE-GXTWGEPZSA-N 1 0 390.933 2.299 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccccc1Br ZINC000150882218 532303537 /nfs/dbraw/zinc/30/35/37/532303537.db2.gz YAZQLUNJUCQDOR-LBPRGKRZSA-N 1 0 379.320 2.084 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C)cc1Br ZINC000150880607 532303541 /nfs/dbraw/zinc/30/35/41/532303541.db2.gz ATSKRVWSAOBPOD-ZDUSSCGKSA-N 1 0 393.347 2.393 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCC[NH+]1CCC(O)CC1 ZINC000181650600 532303855 /nfs/dbraw/zinc/30/38/55/532303855.db2.gz NCGUFWUOCKUWGC-UHFFFAOYSA-N 1 0 381.325 2.260 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000181679213 532305128 /nfs/dbraw/zinc/30/51/28/532305128.db2.gz KNACKKIQVYYFLP-IINYFYTJSA-N 1 0 391.306 2.447 20 0 GEADRO COC1CC[NH+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000151002891 532305611 /nfs/dbraw/zinc/30/56/11/532305611.db2.gz XJXGQNVKJMZTJO-UHFFFAOYSA-N 1 0 391.299 2.177 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000151049490 532306586 /nfs/dbraw/zinc/30/65/86/532306586.db2.gz ITVDKAUVFXDSOH-LBPRGKRZSA-N 1 0 387.933 2.241 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3ccncc3Br)CC2)CC1 ZINC000151175897 532307864 /nfs/dbraw/zinc/30/78/64/532307864.db2.gz MSYBBYOPDTWCGS-UHFFFAOYSA-N 1 0 381.318 2.133 20 0 GEADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183406894 532324922 /nfs/dbraw/zinc/32/49/22/532324922.db2.gz GUHRNADCLCVCEM-LLVKDONJSA-N 1 0 396.285 2.336 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183434374 532325356 /nfs/dbraw/zinc/32/53/56/532325356.db2.gz MLMALGSBYQTOLD-MRVPVSSYSA-N 1 0 377.080 2.288 20 0 GEADRO CN(C)c1cc[nH+]cc1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000183524605 532325500 /nfs/dbraw/zinc/32/55/00/532325500.db2.gz GXCPBBSSNOXBAV-UHFFFAOYSA-N 1 0 377.242 2.279 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c(Br)c1 ZINC000182066836 532308999 /nfs/dbraw/zinc/30/89/99/532308999.db2.gz KLTPXOPDXRYXTF-RYUDHWBXSA-N 1 0 391.331 2.390 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c(Br)c1 ZINC000182066875 532309106 /nfs/dbraw/zinc/30/91/06/532309106.db2.gz KLTPXOPDXRYXTF-NWDGAFQWSA-N 1 0 391.331 2.390 20 0 GEADRO COC(=O)CC[N@@H+]1CCN(C[C@H](O)c2ccccc2Br)[C@H](C)C1 ZINC000182110929 532309710 /nfs/dbraw/zinc/30/97/10/532309710.db2.gz BRPRHARTOGXJON-CJNGLKHVSA-N 1 0 385.302 2.052 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccc(Br)cc1 ZINC000182652255 532315861 /nfs/dbraw/zinc/31/58/61/532315861.db2.gz XRKDLPXJCKWWTI-ZDUSSCGKSA-N 1 0 382.302 2.228 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182753481 532317052 /nfs/dbraw/zinc/31/70/52/532317052.db2.gz FVNXKBXSFMYNNS-AWEZNQCLSA-N 1 0 397.317 2.472 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1cccc(Br)c1 ZINC000182823033 532318209 /nfs/dbraw/zinc/31/82/09/532318209.db2.gz GAGGJJHGCTYJOM-INIZCTEOSA-N 1 0 399.333 2.271 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cnc1Br ZINC000182838730 532318724 /nfs/dbraw/zinc/31/87/24/532318724.db2.gz RFEHLHCUHGWSRH-TZMCWYRMSA-N 1 0 395.301 2.034 20 0 GEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000185230984 532337358 /nfs/dbraw/zinc/33/73/58/532337358.db2.gz UUCUOEYCXDYFEB-UHFFFAOYSA-N 1 0 389.315 2.099 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000185339088 532337560 /nfs/dbraw/zinc/33/75/60/532337560.db2.gz GMVIRVQMDDORKY-LBPRGKRZSA-N 1 0 380.341 2.298 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1cc(Br)cs1 ZINC000185592593 532337985 /nfs/dbraw/zinc/33/79/85/532337985.db2.gz FKHVXOBJSRGVML-LBPRGKRZSA-N 1 0 389.363 2.336 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000185622363 532338226 /nfs/dbraw/zinc/33/82/26/532338226.db2.gz CXRIIOJNWIASPR-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N(C)CCC[NH+](C)C ZINC000185824402 532338915 /nfs/dbraw/zinc/33/89/15/532338915.db2.gz REEIMAACLIKLHW-UHFFFAOYSA-N 1 0 385.306 2.289 20 0 GEADRO CC[C@H]([NH2+]CCc1cn(CC(=O)OC)nn1)c1nc(C(F)(F)F)cs1 ZINC000185953282 532339323 /nfs/dbraw/zinc/33/93/23/532339323.db2.gz NTJNCEXTQWKUPU-JTQLQIEISA-N 1 0 377.392 2.210 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186029576 532339536 /nfs/dbraw/zinc/33/95/36/532339536.db2.gz PVIVIAMEBYJKBU-NJAFHUGGSA-N 1 0 387.567 2.493 20 0 GEADRO C[C@@H](C(=O)NCc1cc2cc(Br)ccc2[nH]1)N1CCN(C)CC1 ZINC000186052863 532339681 /nfs/dbraw/zinc/33/96/81/532339681.db2.gz RODWEMWNTUQHAU-LBPRGKRZSA-N 1 0 379.302 2.183 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccc(Br)o1 ZINC000186139770 532339923 /nfs/dbraw/zinc/33/99/23/532339923.db2.gz PSKUECOXPOURNP-ZDUSSCGKSA-N 1 0 387.322 2.210 20 0 GEADRO O=C(C[NH2+]Cc1cncc(Br)c1)N1CCN(c2ccccc2)CC1 ZINC000186609557 532341317 /nfs/dbraw/zinc/34/13/17/532341317.db2.gz MIIDWCQIPCZKBY-UHFFFAOYSA-N 1 0 389.297 2.283 20 0 GEADRO Cc1nc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1Br ZINC000186779772 532341870 /nfs/dbraw/zinc/34/18/70/532341870.db2.gz CZVDETWMCSISSO-LLVKDONJSA-N 1 0 385.306 2.461 20 0 GEADRO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)NCCOc1ccc(Cl)cc1 ZINC000186839343 532342225 /nfs/dbraw/zinc/34/22/25/532342225.db2.gz GDHGBIVONVZCSO-UHFFFAOYSA-N 1 0 384.929 2.433 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000186929406 532342642 /nfs/dbraw/zinc/34/26/42/532342642.db2.gz NLLZMVZYEHUTRO-LLVKDONJSA-N 1 0 399.866 2.273 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000186954230 532342866 /nfs/dbraw/zinc/34/28/66/532342866.db2.gz MFMGJUZJFIUDSF-HSMVNMDESA-N 1 0 375.296 2.330 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187161823 532343342 /nfs/dbraw/zinc/34/33/42/532343342.db2.gz UNOKNAYJJKGDIW-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000187144366 532343364 /nfs/dbraw/zinc/34/33/64/532343364.db2.gz YTZUOZMLTPTVLY-CQSZACIVSA-N 1 0 391.331 2.147 20 0 GEADRO CCN(CC1CC1)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000183845852 532329238 /nfs/dbraw/zinc/32/92/38/532329238.db2.gz ZFFQLTJWLYARAN-UHFFFAOYSA-N 1 0 375.485 2.305 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)CC(=O)OC(C)(C)C)c(C)s1 ZINC000183914137 532329911 /nfs/dbraw/zinc/32/99/11/532329911.db2.gz YQMLXLPFEJCZPH-LLVKDONJSA-N 1 0 376.544 2.353 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000183922208 532330078 /nfs/dbraw/zinc/33/00/78/532330078.db2.gz XRPYZIAAMQDJIJ-UHFFFAOYSA-N 1 0 395.297 2.412 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@]1(CO)CCOC1 ZINC000184190848 532331186 /nfs/dbraw/zinc/33/11/86/532331186.db2.gz VTALBULDXGTMTN-CYBMUJFWSA-N 1 0 395.091 2.461 20 0 GEADRO CC[N@H+](CC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O)C1CC1 ZINC000184634777 532333748 /nfs/dbraw/zinc/33/37/48/532333748.db2.gz UOZZRSXRHTYOTG-MRXNPFEDSA-N 1 0 394.313 2.463 20 0 GEADRO C[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000184636616 532334082 /nfs/dbraw/zinc/33/40/82/532334082.db2.gz NCMWRPILJNXWPU-HOCLYGCPSA-N 1 0 384.567 2.432 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000184669084 532334232 /nfs/dbraw/zinc/33/42/32/532334232.db2.gz IBSNLCFAFUTDDM-LLVKDONJSA-N 1 0 398.301 2.304 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cc(Cl)ccc1OC(F)F ZINC000187241397 532343620 /nfs/dbraw/zinc/34/36/20/532343620.db2.gz UCBOELXRHOPHSK-UHFFFAOYSA-N 1 0 377.819 2.463 20 0 GEADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CN3C(=S)N=NC3c3ccc(Cl)cc3)C[C@@H]12 ZINC000184969126 532336435 /nfs/dbraw/zinc/33/64/35/532336435.db2.gz JJTQYWPRPAKSNF-BNOWGMLFSA-N 1 0 377.901 2.083 20 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WYYUSTFCMKCXLG-OAHLLOKOSA-N 1 0 387.293 2.484 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Br)cc2N)CC1 ZINC000188397935 532348016 /nfs/dbraw/zinc/34/80/16/532348016.db2.gz UIVWJQBAYVIQKQ-CYBMUJFWSA-N 1 0 383.334 2.035 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000188430147 532348153 /nfs/dbraw/zinc/34/81/53/532348153.db2.gz YXQOSAJFTJDGPL-OAHLLOKOSA-N 1 0 391.269 2.032 20 0 GEADRO C[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000188679874 532349023 /nfs/dbraw/zinc/34/90/23/532349023.db2.gz GLTNXWXFVSYJLI-LBPRGKRZSA-N 1 0 387.293 2.434 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000188656395 532349067 /nfs/dbraw/zinc/34/90/67/532349067.db2.gz GYWTXEBLQVXUML-LLVKDONJSA-N 1 0 377.436 2.080 20 0 GEADRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000188695334 532349133 /nfs/dbraw/zinc/34/91/33/532349133.db2.gz KCDDDOJIFUFGJR-LLVKDONJSA-N 1 0 395.301 2.243 20 0 GEADRO CN(C)C(=O)CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 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O=C1c2ccc(Br)cc2C(=O)N1Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000647155309 532370258 /nfs/dbraw/zinc/37/02/58/532370258.db2.gz WOLJJRODKKEIKK-LLVKDONJSA-N 1 0 377.198 2.053 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000557760733 532371553 /nfs/dbraw/zinc/37/15/53/532371553.db2.gz JIQUTCILIVWIMN-HUZSNBGSSA-N 1 0 380.286 2.491 20 0 GEADRO C[C@H]1CN(C(=O)NCc2cc(Br)cc3c2OCC3)C[C@@H]1[NH+](C)C ZINC000463253291 532371608 /nfs/dbraw/zinc/37/16/08/532371608.db2.gz CUKCCHWSWZWCAI-NHYWBVRUSA-N 1 0 382.302 2.476 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000647234420 532371758 /nfs/dbraw/zinc/37/17/58/532371758.db2.gz QYLAMTFJHDCWRS-GXFFZTMASA-N 1 0 387.914 2.200 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Br)cc3c2OCC3)C[C@@H]1[NH+](C)C ZINC000463253289 532371810 /nfs/dbraw/zinc/37/18/10/532371810.db2.gz CUKCCHWSWZWCAI-ABAIWWIYSA-N 1 0 382.302 2.476 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000647624927 532378994 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CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000677654347 532381221 /nfs/dbraw/zinc/38/12/21/532381221.db2.gz MWKVNEZSEHLWKZ-OAHLLOKOSA-N 1 0 392.352 2.148 20 0 GEADRO CC(C)(C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1cccc(Br)c1 ZINC000647707623 532381643 /nfs/dbraw/zinc/38/16/43/532381643.db2.gz AURBWDZLHSPYTD-CVEARBPZSA-N 1 0 381.314 2.394 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2SCCc3sccc32)CC1 ZINC000463749410 532382291 /nfs/dbraw/zinc/38/22/91/532382291.db2.gz MVSDFEICWDFZNO-KRWDZBQOSA-N 1 0 381.567 2.137 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000647888973 532382329 /nfs/dbraw/zinc/38/23/29/532382329.db2.gz SQSGKZTXQUCVKT-GXFFZTMASA-N 1 0 389.315 2.097 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000278488393 532382592 /nfs/dbraw/zinc/38/25/92/532382592.db2.gz AXQFSZLCPRSIDD-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c(Br)n1 ZINC000372303893 532382880 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2.273 20 0 GEADRO Cc1cc(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)on1 ZINC000516304330 532384221 /nfs/dbraw/zinc/38/42/21/532384221.db2.gz AOYKKYWZYJGBHV-JTQLQIEISA-N 1 0 388.287 2.286 20 0 GEADRO COc1cccc([C@@H](CNC(=O)c2c(Br)cnn2C)[NH+](C)C)c1 ZINC000294827267 532385703 /nfs/dbraw/zinc/38/57/03/532385703.db2.gz RYNGAHGTRILNEQ-CQSZACIVSA-N 1 0 381.274 2.224 20 0 GEADRO CSCC[C@H](O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000294831285 532385736 /nfs/dbraw/zinc/38/57/36/532385736.db2.gz XISFEFRBOJIMAN-HNNXBMFYSA-N 1 0 389.359 2.453 20 0 GEADRO CCc1[nH]n(C)c2nnc(NC(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)c1-2 ZINC000648155275 532385718 /nfs/dbraw/zinc/38/57/18/532385718.db2.gz FTNZUPJIDCKJKC-INIZCTEOSA-N 1 0 391.273 2.434 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000648125711 532385771 /nfs/dbraw/zinc/38/57/71/532385771.db2.gz TZDHEYOHVOTQSN-WQVCFCJDSA-N 1 0 381.929 2.441 20 0 GEADRO CC(C)[C@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[NH2+]1 ZINC000648121462 532385905 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CS(=O)(=O)C1(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CC[NH2+]CC1 ZINC000648162939 532386800 /nfs/dbraw/zinc/38/68/00/532386800.db2.gz DTWMAZLTPBJDDG-UHFFFAOYSA-N 1 0 391.320 2.045 20 0 GEADRO CC[C@@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC[C@H]1[NH3+] ZINC000648126343 532386863 /nfs/dbraw/zinc/38/68/63/532386863.db2.gz GREGPXPVTZNVLZ-BXUZGUMPSA-N 1 0 383.286 2.349 20 0 GEADRO CN(CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br)S(C)(=O)=O ZINC000648419093 532395650 /nfs/dbraw/zinc/39/56/50/532395650.db2.gz NVUDSCZWFMYHFI-ZDUSSCGKSA-N 1 0 379.295 2.447 20 0 GEADRO Fc1cc(Br)cnc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000623372261 532387794 /nfs/dbraw/zinc/38/77/94/532387794.db2.gz MDIXENZCJBSDTR-HNNXBMFYSA-N 1 0 390.322 2.281 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)nn2C)[C@H](C)C1 ZINC000192125808 532387711 /nfs/dbraw/zinc/38/77/11/532387711.db2.gz AWICCXPLJGKNNJ-CHWSQXEVSA-N 1 0 387.322 2.049 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000558208911 532388923 /nfs/dbraw/zinc/38/89/23/532388923.db2.gz JPPFRXXJMFIXCO-IUODEOHRSA-N 1 0 382.302 2.006 20 0 GEADRO [NH3+][C@H]1C[C@@H]2CN(Cc3ccc(Br)cc3C(F)(F)F)CCN2C1=O ZINC000516785811 532390508 /nfs/dbraw/zinc/39/05/08/532390508.db2.gz WYMWSYZBFGNBSA-YPMHNXCESA-N 1 0 392.219 2.212 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cc(F)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000294950960 532392019 /nfs/dbraw/zinc/39/20/19/532392019.db2.gz LWVSYVJNVOYEOH-CYBMUJFWSA-N 1 0 376.881 2.060 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000372492179 532393227 /nfs/dbraw/zinc/39/32/27/532393227.db2.gz DHTURFZXXXSGTM-OAHLLOKOSA-N 1 0 397.313 2.230 20 0 GEADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1sccc1Br ZINC000558549981 532393372 /nfs/dbraw/zinc/39/33/72/532393372.db2.gz MNOCVFOBLARQLA-UHFFFAOYSA-N 1 0 377.352 2.145 20 0 GEADRO Cc1nc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)sc1S(N)(=O)=O ZINC000516863428 532394045 /nfs/dbraw/zinc/39/40/45/532394045.db2.gz PVNGHXDNTNRYJY-GFCCVEGCSA-N 1 0 381.527 2.131 20 0 GEADRO CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000516857160 532394652 /nfs/dbraw/zinc/39/46/52/532394652.db2.gz OGBJLHMMHKPJEE-WFASDCNBSA-N 1 0 385.917 2.200 20 0 GEADRO C[C@@]1(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CCC[NH2+]C1 ZINC000516929715 532397560 /nfs/dbraw/zinc/39/75/60/532397560.db2.gz LUPADVPLNIELTM-GOSISDBHSA-N 1 0 380.330 2.483 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000516926777 532397786 /nfs/dbraw/zinc/39/77/86/532397786.db2.gz KUAGBHHUMPOEMC-VXGBXAGGSA-N 1 0 382.507 2.484 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)CCc2cccc(F)c2Br)CC1 ZINC000295024115 532397958 /nfs/dbraw/zinc/39/79/58/532397958.db2.gz ZTMCOLHWMCNNLE-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO CN(C)CC[NH+]1CCC(CNC(=O)Cc2sccc2Br)CC1 ZINC000295024127 532398112 /nfs/dbraw/zinc/39/81/12/532398112.db2.gz ZUFKREVQSZRECY-UHFFFAOYSA-N 1 0 388.375 2.443 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000372555704 532396855 /nfs/dbraw/zinc/39/68/55/532396855.db2.gz 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378.313 2.293 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000561239408 532433276 /nfs/dbraw/zinc/43/32/76/532433276.db2.gz PVTVKDRUTQBQRL-UHFFFAOYSA-N 1 0 390.709 2.223 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(Br)cc1 ZINC000373118030 532433719 /nfs/dbraw/zinc/43/37/19/532433719.db2.gz MPTCXYCHSJSYDU-GVDBMIGSSA-N 1 0 396.329 2.209 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000650064943 532433882 /nfs/dbraw/zinc/43/38/82/532433882.db2.gz ACLDJLYWLKYNKO-HZSPNIEDSA-N 1 0 377.312 2.120 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1C(F)(F)F ZINC000427930410 532437824 /nfs/dbraw/zinc/43/78/24/532437824.db2.gz JHZCSOSETYETKA-JTQLQIEISA-N 1 0 382.404 2.288 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1Br ZINC000427949986 532437877 /nfs/dbraw/zinc/43/78/77/532437877.db2.gz ZSEWTRMCAJVGIX-JTQLQIEISA-N 1 0 392.319 2.203 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)ncc1Br ZINC000193923719 532437917 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C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCn1cc(Br)ccc1=O ZINC000561755754 532450541 /nfs/dbraw/zinc/45/05/41/532450541.db2.gz UMZLASNHJYYXIF-HIFRSBDPSA-N 1 0 382.302 2.086 20 0 GEADRO O=C(CCOC1C[NH2+]C1)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000518962684 532450730 /nfs/dbraw/zinc/45/07/30/532450730.db2.gz BMGJUJRVZFTENC-OAHLLOKOSA-N 1 0 386.279 2.301 20 0 GEADRO COCCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000518953735 532451285 /nfs/dbraw/zinc/45/12/85/532451285.db2.gz WBFZKFCDIXLOEO-UHFFFAOYSA-N 1 0 382.448 2.435 20 0 GEADRO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1Br ZINC000682889057 532451496 /nfs/dbraw/zinc/45/14/96/532451496.db2.gz NEOPWCXKPJLGEH-CQSZACIVSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Br)[C@H]1CN(C)CCO1 ZINC000682876766 532451522 /nfs/dbraw/zinc/45/15/22/532451522.db2.gz HRWDQXWFSNLNFO-IAQYHMDHSA-N 1 0 388.281 2.449 20 0 GEADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000562078479 532457334 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NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cccc(Cl)c1Cl ZINC000519355202 532460729 /nfs/dbraw/zinc/46/07/29/532460729.db2.gz NCORBSPXMYTKQP-AWEZNQCLSA-N 1 0 387.311 2.175 20 0 GEADRO C[C@H]([NH3+])CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000194880885 532461018 /nfs/dbraw/zinc/46/10/18/532461018.db2.gz GIRYJRDYGUUANN-HZMBPMFUSA-N 1 0 386.265 2.046 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000194881129 532461869 /nfs/dbraw/zinc/46/18/69/532461869.db2.gz GIRYJRDYGUUANN-QMTHXVAHSA-N 1 0 386.265 2.046 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000428899178 532464468 /nfs/dbraw/zinc/46/44/68/532464468.db2.gz BYWFBGSSWHYASN-NEPJUHHUSA-N 1 0 382.302 2.153 20 0 GEADRO C[C@H](NS(=O)(=O)c1c(Cl)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373725465 532465077 /nfs/dbraw/zinc/46/50/77/532465077.db2.gz IRGSISUALSBKBI-DZGCQCFKSA-N 1 0 382.917 2.262 20 0 GEADRO CC(C)(C[NH3+])NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000428893276 532465290 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GEADRO C[C@@H]1[C@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)CCC[N@@H+]1C ZINC000428967250 532466919 /nfs/dbraw/zinc/46/69/19/532466919.db2.gz MDJYCWSWOJPFDJ-JKIFEVAISA-N 1 0 398.345 2.382 20 0 GEADRO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000428966856 532466959 /nfs/dbraw/zinc/46/69/59/532466959.db2.gz LKZYJGORWBQPOQ-KGLIPLIRSA-N 1 0 385.555 2.041 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2cc(F)ccc2Br)C1 ZINC000683911037 532467121 /nfs/dbraw/zinc/46/71/21/532467121.db2.gz CAGUUKRKZAWUGM-KRWDZBQOSA-N 1 0 387.293 2.436 20 0 GEADRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000519572386 532469016 /nfs/dbraw/zinc/46/90/16/532469016.db2.gz PURZGDBUXVGXFJ-NWDGAFQWSA-N 1 0 378.274 2.164 20 0 GEADRO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2CCCOc1cccc(I)c1 ZINC000593103477 532469644 /nfs/dbraw/zinc/46/96/44/532469644.db2.gz ZFCVAIDUACEOQP-PJFSTRORSA-N 1 0 391.274 2.265 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000429067998 532469773 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GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(Br)cc1 ZINC000429171537 532471898 /nfs/dbraw/zinc/47/18/98/532471898.db2.gz NULSHJNTHRXEJY-HFBAOOFYSA-N 1 0 382.302 2.212 20 0 GEADRO O=C(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195248529 532472123 /nfs/dbraw/zinc/47/21/23/532472123.db2.gz FVGYBCGVKGVMFO-BFQNTYOBSA-N 1 0 382.291 2.276 20 0 GEADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000282502142 532472154 /nfs/dbraw/zinc/47/21/54/532472154.db2.gz YFSPMOVOWBPOPI-UHFFFAOYSA-N 1 0 376.469 2.213 20 0 GEADRO CC(C)c1cnc(NC(=O)N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000373816058 532472584 /nfs/dbraw/zinc/47/25/84/532472584.db2.gz RJYVBEDDVQKFTF-CYBMUJFWSA-N 1 0 386.543 2.040 20 0 GEADRO OC[C@]1([NH2+]C[C@@H]2CNc3ccnn3C2)CCc2cc(Br)ccc2C1 ZINC000628423579 532467333 /nfs/dbraw/zinc/46/73/33/532467333.db2.gz AHZCKTAZWXLWKW-UGSOOPFHSA-N 1 0 391.313 2.197 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1Br ZINC000519546109 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GEADRO CC[C@@H]([NH2+]CCc1nncn1CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612011 532480162 /nfs/dbraw/zinc/48/01/62/532480162.db2.gz OTXKTJBVZCUFBN-CQSZACIVSA-N 1 0 385.921 2.143 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1cccc(I)c1 ZINC000468958002 532482252 /nfs/dbraw/zinc/48/22/52/532482252.db2.gz NMADAPCBYQVNBE-CYBMUJFWSA-N 1 0 388.249 2.271 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000651621819 532482506 /nfs/dbraw/zinc/48/25/06/532482506.db2.gz DHDVTSMFWKTFKU-CXAGYDPISA-N 1 0 389.924 2.126 20 0 GEADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000684760863 532482724 /nfs/dbraw/zinc/48/27/24/532482724.db2.gz AXEIUVCOFYFDEN-UHFFFAOYSA-N 1 0 398.331 2.438 20 0 GEADRO O=C(CCCCOc1ccc(Br)cc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629174271 532482840 /nfs/dbraw/zinc/48/28/40/532482840.db2.gz NHEGSKRIHANASR-OAHLLOKOSA-N 1 0 385.302 2.181 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(Br)c1OC ZINC000562795813 532483653 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2.029 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NCCC[NH2+]C(C)C)CC2 ZINC000562827562 532485631 /nfs/dbraw/zinc/48/56/31/532485631.db2.gz CXQIIXNDSSOKTA-UHFFFAOYSA-N 1 0 396.329 2.147 20 0 GEADRO O=C(Nc1cc2ccc(Br)cn2n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000429943341 532486435 /nfs/dbraw/zinc/48/64/35/532486435.db2.gz LWXOLZWKFYVTPE-CQSZACIVSA-N 1 0 378.274 2.799 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)c2c1OCCC2 ZINC000469031432 532487063 /nfs/dbraw/zinc/48/70/63/532487063.db2.gz PWTPUCFCUUNUAI-CYBMUJFWSA-N 1 0 396.329 2.140 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000562922608 532487413 /nfs/dbraw/zinc/48/74/13/532487413.db2.gz ZJAZEELWRYJOOE-UHFFFAOYSA-N 1 0 395.305 2.832 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)ccc2O)C1 ZINC000225595092 532487864 /nfs/dbraw/zinc/48/78/64/532487864.db2.gz MHXYQSLUOSARKE-NSHDSACASA-N 1 0 388.249 2.457 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000469061089 532488391 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C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000520376354 532491671 /nfs/dbraw/zinc/49/16/71/532491671.db2.gz PWAJOXAZTIKTQS-HONMWMINSA-N 1 0 385.295 2.396 20 0 GEADRO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)CN1CC[NH+](C)CC1 ZINC000562993882 532492468 /nfs/dbraw/zinc/49/24/68/532492468.db2.gz QRQAVHIRVQYPIO-GDBMZVCRSA-N 1 0 390.355 2.206 20 0 GEADRO O=C(NC1(c2ccc(Br)cc2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000520408359 532492495 /nfs/dbraw/zinc/49/24/95/532492495.db2.gz DSHWZPJQHOFERR-AWEZNQCLSA-N 1 0 390.285 2.212 20 0 GEADRO O=C(NC1(c2ccc(Br)cc2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000520408360 532492545 /nfs/dbraw/zinc/49/25/45/532492545.db2.gz DSHWZPJQHOFERR-CQSZACIVSA-N 1 0 390.285 2.212 20 0 GEADRO COCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000562984989 532492845 /nfs/dbraw/zinc/49/28/45/532492845.db2.gz NQMGWGVYCJIOHM-HUUCEWRRSA-N 1 0 377.312 2.434 20 0 GEADRO CC(C)(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000236665595 532493008 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O=C(CCNC(=O)[C@H]1CC12CC[NH2+]CC2)Nc1ccc(Br)cc1 ZINC000236719204 532495552 /nfs/dbraw/zinc/49/55/52/532495552.db2.gz OOJDSRXLDJXMJJ-CQSZACIVSA-N 1 0 380.286 2.284 20 0 GEADRO COCC[C@@]1(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000430314713 532495724 /nfs/dbraw/zinc/49/57/24/532495724.db2.gz ZIIOFFOAIFSPAN-WMZOPIPTSA-N 1 0 397.313 2.365 20 0 GEADRO COCC[C@@]1(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000430314710 532495777 /nfs/dbraw/zinc/49/57/77/532495777.db2.gz ZIIOFFOAIFSPAN-AEFFLSMTSA-N 1 0 397.313 2.365 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000282777669 532495828 /nfs/dbraw/zinc/49/58/28/532495828.db2.gz MJJDWBYNNLFBNF-OAHLLOKOSA-N 1 0 394.313 2.198 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000469200788 532496100 /nfs/dbraw/zinc/49/61/00/532496100.db2.gz BGNVKBWUTOJCDD-OLZOCXBDSA-N 1 0 378.922 2.372 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000236793968 532496155 /nfs/dbraw/zinc/49/61/55/532496155.db2.gz IKCVNCDMDPWYPS-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO COCCCn1nccc1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000282526758 532474223 /nfs/dbraw/zinc/47/42/23/532474223.db2.gz AOKLFCDIDUWRBP-HNNXBMFYSA-N 1 0 398.301 2.212 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236778133 532496622 /nfs/dbraw/zinc/49/66/22/532496622.db2.gz CWADAIGPAIPFPZ-CQSZACIVSA-N 1 0 382.302 2.436 20 0 GEADRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429412020 532475002 /nfs/dbraw/zinc/47/50/02/532475002.db2.gz XQRCYUWAZMNHBG-MEBBXXQBSA-N 1 0 383.286 2.340 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000429386584 532475159 /nfs/dbraw/zinc/47/51/59/532475159.db2.gz QKEWEMLUESUQDQ-CXAGYDPISA-N 1 0 383.330 2.355 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000429409448 532475237 /nfs/dbraw/zinc/47/52/37/532475237.db2.gz RCUFARGEBZHLCC-IOASZLSFSA-N 1 0 396.329 2.412 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000429432283 532476394 /nfs/dbraw/zinc/47/63/94/532476394.db2.gz ULCUHWUREGLVJQ-JSGCOSHPSA-N 1 0 378.332 2.013 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000520985596 532502439 /nfs/dbraw/zinc/50/24/39/532502439.db2.gz QUTDWWUXIACUPQ-HUUCEWRRSA-N 1 0 389.949 2.058 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000593925009 532502445 /nfs/dbraw/zinc/50/24/45/532502445.db2.gz GZPKDWLDKVIRQJ-OAHLLOKOSA-N 1 0 381.270 2.062 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000236971945 532503108 /nfs/dbraw/zinc/50/31/08/532503108.db2.gz GWJXHEUVGKRMRM-DZGCQCFKSA-N 1 0 387.933 2.228 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000469465507 532503224 /nfs/dbraw/zinc/50/32/24/532503224.db2.gz WKTFRSOTPBBOFL-OSMZGAPFSA-N 1 0 380.286 2.474 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000237051827 532503668 /nfs/dbraw/zinc/50/36/68/532503668.db2.gz AOLLMSHMPIUJJG-LLVKDONJSA-N 1 0 392.301 2.493 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCC2([NH3+])CCCCC2)c1 ZINC000237072733 532504052 /nfs/dbraw/zinc/50/40/52/532504052.db2.gz QDOHPSDPWHCOED-UHFFFAOYSA-N 1 0 390.347 2.455 20 0 GEADRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000629916268 532504131 /nfs/dbraw/zinc/50/41/31/532504131.db2.gz VHWJYZPCXWVXGK-ZDUSSCGKSA-N 1 0 383.279 2.284 20 0 GEADRO CC(C)([NH3+])c1nocc1C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000563413940 532504164 /nfs/dbraw/zinc/50/41/64/532504164.db2.gz JMGWJVANOVSSMK-UHFFFAOYSA-N 1 0 382.262 2.305 20 0 GEADRO CN(CC(=O)NCC1([NH3+])CCCCC1)C(=O)c1ccc(Br)s1 ZINC000237054807 532504476 /nfs/dbraw/zinc/50/44/76/532504476.db2.gz MVAUMHQSISDIKO-UHFFFAOYSA-N 1 0 388.331 2.360 20 0 GEADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCc2cc(Br)ccc21 ZINC000563394042 532504398 /nfs/dbraw/zinc/50/43/98/532504398.db2.gz AOKONABICCMAFL-SJLPKXTDSA-N 1 0 379.298 2.052 20 0 GEADRO CCO[C@@H]1CN(C(=O)NCCc2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000652123467 532504565 /nfs/dbraw/zinc/50/45/65/532504565.db2.gz OMTSMDBBJLDTLR-ZYHUDNBSSA-N 1 0 376.320 2.058 20 0 GEADRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cccc(I)c1 ZINC000431040736 532504995 /nfs/dbraw/zinc/50/49/95/532504995.db2.gz OPFADBKRAKRDET-UHFFFAOYSA-N 1 0 382.267 2.087 20 0 GEADRO CCO[C@@H]1CN(C(=O)NCc2cc(F)c(F)cc2Br)C[C@H]1C[NH3+] ZINC000652192270 532505839 /nfs/dbraw/zinc/50/58/39/532505839.db2.gz WGVHZYFOWKZZEW-QMTHXVAHSA-N 1 0 392.244 2.233 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000652223992 532506580 /nfs/dbraw/zinc/50/65/80/532506580.db2.gz QVAOIPRQPSVKSZ-AWEZNQCLSA-N 1 0 387.311 2.204 20 0 GEADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000237329279 532506697 /nfs/dbraw/zinc/50/66/97/532506697.db2.gz YFEAQLYHBXUZOQ-LLVKDONJSA-N 1 0 391.877 2.303 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000237335889 532506845 /nfs/dbraw/zinc/50/68/45/532506845.db2.gz HRUIAGYIOSWQRY-ZDUSSCGKSA-N 1 0 399.365 2.105 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000652227279 532507051 /nfs/dbraw/zinc/50/70/51/532507051.db2.gz CKSDZJHVRYNTRF-AUUYWEPGSA-N 1 0 391.309 2.465 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H](C[NH3+])C3CC3)[nH]c(=O)c2c1C ZINC000237340594 532507940 /nfs/dbraw/zinc/50/79/40/532507940.db2.gz CEIHPVHUKJVKBL-PWSUYJOCSA-N 1 0 380.539 2.077 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000237322960 532508182 /nfs/dbraw/zinc/50/81/82/532508182.db2.gz KZUWNWBHBUIZON-MNOVXSKESA-N 1 0 389.315 2.052 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000237312538 532508229 /nfs/dbraw/zinc/50/82/29/532508229.db2.gz ZWODQVKFDHOFCO-SKDRFNHKSA-N 1 0 382.555 2.195 20 0 GEADRO C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@H]1C[NH3+] ZINC000237637278 532509379 /nfs/dbraw/zinc/50/93/79/532509379.db2.gz MSAHBYUJYSLBHX-HZMBPMFUSA-N 1 0 378.270 2.490 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000652384433 532509609 /nfs/dbraw/zinc/50/96/09/532509609.db2.gz ZXTKCDUFLRZRKE-KCXAZCMYSA-N 1 0 381.523 2.346 20 0 GEADRO Cc1nc(NC2CC[NH+](CCc3ccccc3)CC2)sc1S(N)(=O)=O ZINC000374538099 532509739 /nfs/dbraw/zinc/50/97/39/532509739.db2.gz PUEGGFMBPNVNHQ-UHFFFAOYSA-N 1 0 380.539 2.218 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000564211631 532519089 /nfs/dbraw/zinc/51/90/89/532519089.db2.gz UVVWNYXNDHSGBT-HNNXBMFYSA-N 1 0 378.416 2.478 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CCC[N@@H+]1C ZINC000469763628 532511198 /nfs/dbraw/zinc/51/11/98/532511198.db2.gz KOTZXRQSIZGCLM-SWHYSGLUSA-N 1 0 380.286 2.474 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCn1cc(Br)ccc1=O ZINC000563864300 532511801 /nfs/dbraw/zinc/51/18/01/532511801.db2.gz FSJBJWLMKHVPCY-KBPBESRZSA-N 1 0 399.333 2.030 20 0 GEADRO CO[C@@](C)(CO)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000594507237 532511963 /nfs/dbraw/zinc/51/19/63/532511963.db2.gz BGFBTQOPOCEJHA-UKRRQHHQSA-N 1 0 391.249 2.492 20 0 GEADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000521359456 532513092 /nfs/dbraw/zinc/51/30/92/532513092.db2.gz ZCWAZEJDAQKTGO-NHAGDIPZSA-N 1 0 376.258 2.033 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)CSc1nnnn1C1CC1)c1ccc(Cl)cc1 ZINC000283006132 532513345 /nfs/dbraw/zinc/51/33/45/532513345.db2.gz ROSQBYVMILPREC-AWEZNQCLSA-N 1 0 380.905 2.173 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1F ZINC000594531497 532513700 /nfs/dbraw/zinc/51/37/00/532513700.db2.gz BSFJWLMEOPNLLO-NSHDSACASA-N 1 0 378.853 2.076 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CC[C@H]1[NH3+] ZINC000594529771 532513725 /nfs/dbraw/zinc/51/37/25/532513725.db2.gz GBMCURLRNVAUHR-JOYOIKCWSA-N 1 0 378.853 2.014 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000521502042 532513822 /nfs/dbraw/zinc/51/38/22/532513822.db2.gz CSQLVPXJMIBZQD-GFCCVEGCSA-N 1 0 388.295 2.076 20 0 GEADRO Nc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)cn1 ZINC000237996626 532514441 /nfs/dbraw/zinc/51/44/41/532514441.db2.gz HLFWKKTVPMDQNJ-NSHDSACASA-N 1 0 375.226 2.418 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)NCCc2ccc(I)s2)C1 ZINC000563945516 532514913 /nfs/dbraw/zinc/51/49/13/532514913.db2.gz SJGMZRARCWPNGU-JTQLQIEISA-N 1 0 393.294 2.276 20 0 GEADRO OCC1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCCC1 ZINC000564085474 532516328 /nfs/dbraw/zinc/51/63/28/532516328.db2.gz ROTMNVHNHXCXQX-CQSZACIVSA-N 1 0 376.266 2.470 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000238080468 532516950 /nfs/dbraw/zinc/51/69/50/532516950.db2.gz HYKTXAYAFVGDOJ-OOPCZODUSA-N 1 0 381.270 2.431 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)cnn1C ZINC000296379833 532517190 /nfs/dbraw/zinc/51/71/90/532517190.db2.gz UACUOWHVJMJHSO-DOMZBBRYSA-N 1 0 377.286 2.433 20 0 GEADRO Cc1cc(C(C)(C)C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)ccc1Br ZINC000564099430 532517135 /nfs/dbraw/zinc/51/71/35/532517135.db2.gz JUUPWXZVBXCDDV-CYBMUJFWSA-N 1 0 398.345 2.218 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000283073575 532517262 /nfs/dbraw/zinc/51/72/62/532517262.db2.gz PXPNGITVADGIQT-PHIMTYICSA-N 1 0 393.962 2.147 20 0 GEADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@@H]1C ZINC000470003546 532517503 /nfs/dbraw/zinc/51/75/03/532517503.db2.gz RQAGZZGDPXVVIW-OCCSQVGLSA-N 1 0 383.286 2.291 20 0 GEADRO CCCOc1ccc(Br)cc1CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000470019413 532517617 /nfs/dbraw/zinc/51/76/17/532517617.db2.gz SRCUZBAMAAZKPA-UHFFFAOYSA-N 1 0 384.318 2.102 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(Cc2ccccc2Br)C1 ZINC000629605337 532497626 /nfs/dbraw/zinc/49/76/26/532497626.db2.gz JOOAFAVDEMPUDY-CQSZACIVSA-N 1 0 381.314 2.418 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000520661916 532497675 /nfs/dbraw/zinc/49/76/75/532497675.db2.gz JXBHXKGWKODAOM-UKRRQHHQSA-N 1 0 380.432 2.148 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000563129587 532497847 /nfs/dbraw/zinc/49/78/47/532497847.db2.gz DCBULRQNUPLHCS-GHMZBOCLSA-N 1 0 377.304 2.254 20 0 GEADRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(S(N)(=O)=O)c(Br)s2)n1 ZINC000563120844 532497930 /nfs/dbraw/zinc/49/79/30/532497930.db2.gz IEBLYHHFNMQFPH-ZCFIWIBFSA-N 1 0 395.304 2.254 20 0 GEADRO CCC[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)C(=O)N1CCc2sccc2C1 ZINC000236845804 532497920 /nfs/dbraw/zinc/49/79/20/532497920.db2.gz AFWBKEVUBGVLDK-LSDHHAIUSA-N 1 0 381.567 2.013 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1Br ZINC000236861728 532498822 /nfs/dbraw/zinc/49/88/22/532498822.db2.gz VGSIBAJVSDNVIE-NSHDSACASA-N 1 0 377.304 2.207 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000431606292 532518686 /nfs/dbraw/zinc/51/86/86/532518686.db2.gz DVWXQMSQSRRELL-SNVBAGLBSA-N 1 0 376.259 2.450 20 0 GEADRO COc1cc(Br)ccc1CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470004741 532518718 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20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000375018270 532527379 /nfs/dbraw/zinc/52/73/79/532527379.db2.gz IVHFINWYCLFQSX-YOEHRIQHSA-N 1 0 380.330 2.434 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3Br)C[C@@H]21 ZINC000375018997 532527558 /nfs/dbraw/zinc/52/75/58/532527558.db2.gz KITZABKOTJYXLM-HZMBPMFUSA-N 1 0 384.249 2.079 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(OC)cc1Br ZINC000524048496 532527799 /nfs/dbraw/zinc/52/77/99/532527799.db2.gz OLINTRJBCDZGDR-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245973937 532528950 /nfs/dbraw/zinc/52/89/50/532528950.db2.gz BDMGLDOFOHLBFI-WFASDCNBSA-N 1 0 390.347 2.405 20 0 GEADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000564567714 532529013 /nfs/dbraw/zinc/52/90/13/532529013.db2.gz NCCZNWDDOFYSIT-GOSISDBHSA-N 1 0 377.897 2.497 20 0 GEADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000653055848 532529641 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Brc1cc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc2c1OCCO2 ZINC000595152716 532546390 /nfs/dbraw/zinc/54/63/90/532546390.db2.gz ORZSQSQNODRSOL-GFCCVEGCSA-N 1 0 379.258 2.248 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C[C@@H](C)[NH2+]1 ZINC000247306919 532546717 /nfs/dbraw/zinc/54/67/17/532546717.db2.gz QBJKDFHLCUWHQS-XJKCOSOUSA-N 1 0 394.313 2.263 20 0 GEADRO Cc1csc([C@@H](NC(=O)NCC2(N3CCOCC3)CC2)C(F)(F)F)n1 ZINC000296831779 532546719 /nfs/dbraw/zinc/54/67/19/532546719.db2.gz DVEGGPJQWBDOOA-LLVKDONJSA-N 1 0 378.420 2.219 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N1CCN(CCc2cccs2)CC1 ZINC000296829453 532546888 /nfs/dbraw/zinc/54/68/88/532546888.db2.gz WJEPERVPGXRMLD-UHFFFAOYSA-N 1 0 385.580 2.246 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1nc(-c2sc(C)nc2C)cs1 ZINC000565079636 532547445 /nfs/dbraw/zinc/54/74/45/532547445.db2.gz MRSFKIRRADUVKB-UHFFFAOYSA-N 1 0 381.527 2.280 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)NCC[NH+]2CCC(O)CC2)c(Br)c1 ZINC000296844923 532547830 /nfs/dbraw/zinc/54/78/30/532547830.db2.gz HEPHJJZXESQVBI-ZDUSSCGKSA-N 1 0 385.302 2.098 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000654068824 532547911 /nfs/dbraw/zinc/54/79/11/532547911.db2.gz MNOXTLYOCFKJDR-HEHGZKQESA-N 1 0 394.313 2.258 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000631188075 532548132 /nfs/dbraw/zinc/54/81/32/532548132.db2.gz HLTHHPJLCQELSA-UHFFFAOYSA-N 1 0 384.395 2.282 20 0 GEADRO C[C@]1(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)COc2ccccc2O1 ZINC000631182460 532548271 /nfs/dbraw/zinc/54/82/71/532548271.db2.gz ZKGANZBDMNXJFB-KRWDZBQOSA-N 1 0 382.869 2.307 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000248071951 532548992 /nfs/dbraw/zinc/54/89/92/532548992.db2.gz XUAISXVHPZMHPH-UHFFFAOYSA-N 1 0 380.330 2.234 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000375317025 532549132 /nfs/dbraw/zinc/54/91/32/532549132.db2.gz BYDZFNUPUQENOG-RYUDHWBXSA-N 1 0 376.400 2.337 20 0 GEADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000654075602 532549159 /nfs/dbraw/zinc/54/91/59/532549159.db2.gz PDVFVASILTXHRB-LRDDRELGSA-N 1 0 387.293 2.340 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527636818 532549446 /nfs/dbraw/zinc/54/94/46/532549446.db2.gz XVUYHBOEUHFISK-UHFFFAOYSA-N 1 0 383.258 2.241 20 0 GEADRO C[NH+]1CCC(n2cc(NCc3ccc(Cl)c(S(N)(=O)=O)c3)cn2)CC1 ZINC000631224685 532549581 /nfs/dbraw/zinc/54/95/81/532549581.db2.gz AIPSIKRWVUANGA-UHFFFAOYSA-N 1 0 383.905 2.063 20 0 GEADRO CS(=O)(=O)C1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000262056146 532582850 /nfs/dbraw/zinc/58/28/50/532582850.db2.gz HXVBXYAHZCVSDH-ZDUSSCGKSA-N 1 0 388.942 2.160 20 0 GEADRO CN1CCN(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)[C@H](C[NH3+])C1 ZINC000565882711 532583165 /nfs/dbraw/zinc/58/31/65/532583165.db2.gz GOTIPWYWMXJGFQ-WBMJQRKESA-N 1 0 395.345 2.357 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1cn[nH]c1 ZINC000297544412 532595491 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COCC1(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000262131732 532585223 /nfs/dbraw/zinc/58/52/23/532585223.db2.gz YFMSDLRVLNYWRS-UHFFFAOYSA-N 1 0 381.325 2.429 20 0 GEADRO C[C@@H](CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)c(Br)c1 ZINC000655294293 532585398 /nfs/dbraw/zinc/58/53/98/532585398.db2.gz RXEANVPQOIVAEE-FPMFFAJLSA-N 1 0 385.277 2.359 20 0 GEADRO CC(=O)c1ccc(NCCN2CC[NH+](C)CC2)c(I)c1 ZINC000596063567 532585554 /nfs/dbraw/zinc/58/55/54/532585554.db2.gz UWHSKDPBRQBIFA-UHFFFAOYSA-N 1 0 387.265 2.153 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(O)cc(Br)c1 ZINC000528873952 532585799 /nfs/dbraw/zinc/58/57/99/532585799.db2.gz CNZSDKXQKAYBSV-KBMXLJTQSA-N 1 0 383.286 2.478 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296294 532586103 /nfs/dbraw/zinc/58/61/03/532586103.db2.gz KHIXFMRSYARZLU-CWRNSKLLSA-N 1 0 381.314 2.295 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1cn[nH]c1 ZINC000297544409 532595598 /nfs/dbraw/zinc/59/55/98/532595598.db2.gz FEVKCDCERKGDGH-GWCFXTLKSA-N 1 0 387.221 2.105 20 0 GEADRO Cn1ccnc1[C@H]1C[NH2+]CCN1CCOc1cc(F)cc(Br)c1 ZINC000262132652 532586478 /nfs/dbraw/zinc/58/64/78/532586478.db2.gz OGLMWLNNEFQGRN-OAHLLOKOSA-N 1 0 383.265 2.347 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccc(Br)cc1 ZINC000375931130 532586775 /nfs/dbraw/zinc/58/67/75/532586775.db2.gz HVMVCRYMPBBBNR-USXIJHARSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@@]1(NC(=O)Nc2cc(F)c(F)cc2I)CC[NH2+]C1 ZINC000596119547 532587291 /nfs/dbraw/zinc/58/72/91/532587291.db2.gz LCHZYNGDVHGVOO-GFCCVEGCSA-N 1 0 381.164 2.443 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262161524 532587430 /nfs/dbraw/zinc/58/74/30/532587430.db2.gz ZYBFUTPWSDEBAB-MQIPJXDCSA-N 1 0 375.897 2.215 20 0 GEADRO O=S(=O)(CCC(F)(F)F)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000284320416 532587458 /nfs/dbraw/zinc/58/74/58/532587458.db2.gz OECKXHDBNALFOU-HNNXBMFYSA-N 1 0 380.432 2.015 20 0 GEADRO O=C(CC[NH2+]CC1CCS(=O)(=O)CC1)Nc1ccc(Br)cc1 ZINC000566005054 532587483 /nfs/dbraw/zinc/58/74/83/532587483.db2.gz PDCQKWYIVQFTQS-UHFFFAOYSA-N 1 0 389.315 2.192 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)NC[C@@](C)(O)CC[NH+](C)C)c(Br)c1 ZINC000473271244 532587659 /nfs/dbraw/zinc/58/76/59/532587659.db2.gz IWASAGAPWQVCPH-GUYCJALGSA-N 1 0 387.318 2.344 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@H]([C@H](C)[NH3+])C3)ccc2s1 ZINC000262152888 532587899 /nfs/dbraw/zinc/58/78/99/532587899.db2.gz ZCEDLRKQNLAOJF-RYUDHWBXSA-N 1 0 382.507 2.436 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)ccc2s1 ZINC000262152884 532587925 /nfs/dbraw/zinc/58/79/25/532587925.db2.gz ZCEDLRKQNLAOJF-NWDGAFQWSA-N 1 0 382.507 2.436 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000284349152 532588325 /nfs/dbraw/zinc/58/83/25/532588325.db2.gz PZYUGVAPQZBAKB-APHBMKBZSA-N 1 0 394.313 2.369 20 0 GEADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655432762 532588723 /nfs/dbraw/zinc/58/87/23/532588723.db2.gz GZJQGNADBFBEGB-SUMWQHHRSA-N 1 0 390.285 2.240 20 0 GEADRO COc1cc(Br)c(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1OC ZINC000655432818 532588817 /nfs/dbraw/zinc/58/88/17/532588817.db2.gz LAIOUYAMVAAPNL-YVEFUNNKSA-N 1 0 383.286 2.472 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)ccc1Br ZINC000655431678 532588940 /nfs/dbraw/zinc/58/89/40/532588940.db2.gz XCPAXVLLRGGRMZ-DYVFJYSZSA-N 1 0 380.286 2.202 20 0 GEADRO CC1(C)CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@@H]1[NH3+] ZINC000262192994 532589003 /nfs/dbraw/zinc/58/90/03/532589003.db2.gz ZUXGWUNZRPLDSU-GJZGRUSLSA-N 1 0 394.313 2.388 20 0 GEADRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000566046782 532590518 /nfs/dbraw/zinc/59/05/18/532590518.db2.gz WVYWGWXNUIESLU-GFCCVEGCSA-N 1 0 388.269 2.449 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000284419079 532590869 /nfs/dbraw/zinc/59/08/69/532590869.db2.gz SASWRZCUKVOYNV-UHFFFAOYSA-N 1 0 379.657 2.428 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)c1 ZINC000376013079 532591081 /nfs/dbraw/zinc/59/10/81/532591081.db2.gz GJWGOQDSCUYIBS-UKRRQHHQSA-N 1 0 386.901 2.279 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)c2c(C)cc(Br)cc2C)CCC[NH2+]1 ZINC000262398225 532591695 /nfs/dbraw/zinc/59/16/95/532591695.db2.gz ZLNOTGCQRAHJFO-HNNXBMFYSA-N 1 0 391.331 2.113 20 0 GEADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C1CCCCC1 ZINC000566067983 532592211 /nfs/dbraw/zinc/59/22/11/532592211.db2.gz KWCYKWLDWAQTJT-OAHLLOKOSA-N 1 0 385.917 2.411 20 0 GEADRO NC(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000566108507 532592419 /nfs/dbraw/zinc/59/24/19/532592419.db2.gz BLYBWOATQHOIRW-MRXNPFEDSA-N 1 0 393.281 2.120 20 0 GEADRO O=C(/C=C/c1ccc(Cl)s1)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000376049260 532592788 /nfs/dbraw/zinc/59/27/88/532592788.db2.gz ABLQSEOYJJMXST-HWKANZROSA-N 1 0 383.945 2.281 20 0 GEADRO CN(Cc1cc(Cl)cn1C)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000284454520 532593126 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CC(=O)N[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(Br)cc1 ZINC000250077487 532570377 /nfs/dbraw/zinc/57/03/77/532570377.db2.gz OSFXYOAABRMQLO-IUIKQTSFSA-N 1 0 382.302 2.131 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000595661681 532570890 /nfs/dbraw/zinc/57/08/90/532570890.db2.gz LBKYNKAYJFEFTQ-ZDBHGNHJSA-N 1 0 375.252 2.091 20 0 GEADRO Cc1ccc(CC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Br ZINC000565593311 532571218 /nfs/dbraw/zinc/57/12/18/532571218.db2.gz LPJXNFMBCFPXSW-OAHLLOKOSA-N 1 0 396.329 2.146 20 0 GEADRO C[N@H+](CCCOc1cccc(I)c1)C[C@@H]1COCCO1 ZINC000595741426 532571286 /nfs/dbraw/zinc/57/12/86/532571286.db2.gz NSWHAGXJRXRIJR-OAHLLOKOSA-N 1 0 391.249 2.407 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000283992513 532572370 /nfs/dbraw/zinc/57/23/70/532572370.db2.gz PTNNUUFTUUQXQQ-UHFFFAOYSA-N 1 0 390.347 2.317 20 0 GEADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631994370 532572629 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2.005 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]Cc2cccc(I)c2)CCC1 ZINC000284032012 532574259 /nfs/dbraw/zinc/57/42/59/532574259.db2.gz RCMSCAXRXMPBEW-UHFFFAOYSA-N 1 0 379.263 2.348 20 0 GEADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376116027 532595256 /nfs/dbraw/zinc/59/52/56/532595256.db2.gz OZLVBXKWOLTDTB-SKDRFNHKSA-N 1 0 379.707 2.475 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654889913 532574667 /nfs/dbraw/zinc/57/46/67/532574667.db2.gz DOFVJJUFEQHZER-PHIMTYICSA-N 1 0 386.265 2.292 20 0 GEADRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000284070466 532574726 /nfs/dbraw/zinc/57/47/26/532574726.db2.gz MPJQBNLRBSTJKL-UGSOOPFHSA-N 1 0 383.945 2.413 20 0 GEADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cscc1Br ZINC000632010475 532574706 /nfs/dbraw/zinc/57/47/06/532574706.db2.gz XXFMNWRTYWSDFH-LLVKDONJSA-N 1 0 397.360 2.026 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1F ZINC000654889909 532574763 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2.386 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261651621 532575858 /nfs/dbraw/zinc/57/58/58/532575858.db2.gz DMSIQSSPYRUPKO-CDHAZOANSA-N 1 0 396.329 2.386 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000654949573 532576200 /nfs/dbraw/zinc/57/62/00/532576200.db2.gz WWHUDSNRQDTIIH-ZIAGYGMSSA-N 1 0 395.301 2.224 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654949506 532576333 /nfs/dbraw/zinc/57/63/33/532576333.db2.gz VSGLTPSSLLXSRN-ZFWWWQNUSA-N 1 0 395.301 2.224 20 0 GEADRO O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cc2s1 ZINC000632036261 532576488 /nfs/dbraw/zinc/57/64/88/532576488.db2.gz PEIDBXAPAJKUOW-ZDUSSCGKSA-N 1 0 381.523 2.498 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)c1cccnc1-n1cc(Br)cn1 ZINC000565756313 532576541 /nfs/dbraw/zinc/57/65/41/532576541.db2.gz SRHDFONSXYBUNZ-UHFFFAOYSA-N 1 0 378.274 2.246 20 0 GEADRO O=C(Nc1cccc(I)c1)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000595929501 532578238 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O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Br ZINC000261949295 532579727 /nfs/dbraw/zinc/57/97/27/532579727.db2.gz JZSBTYFQJBNHDC-LBPRGKRZSA-N 1 0 380.208 2.015 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)COc1cccc(I)c1 ZINC000595949436 532580309 /nfs/dbraw/zinc/58/03/09/532580309.db2.gz OZPANCRXVYBUCB-CYBMUJFWSA-N 1 0 376.238 2.160 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261943958 532580422 /nfs/dbraw/zinc/58/04/22/532580422.db2.gz JPDMMVZYNHDHRT-HUUCEWRRSA-N 1 0 381.929 2.441 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261943954 532580436 /nfs/dbraw/zinc/58/04/36/532580436.db2.gz JPDMMVZYNHDHRT-CABCVRRESA-N 1 0 381.929 2.441 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)c(SC)cc1OC ZINC000472634947 532580633 /nfs/dbraw/zinc/58/06/33/532580633.db2.gz YQBYZAWAQVUEBB-UONOGXRCSA-N 1 0 388.555 2.376 20 0 GEADRO Cc1c(Br)cccc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261984425 532582111 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CS[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000597511450 532618566 /nfs/dbraw/zinc/61/85/66/532618566.db2.gz YTBVZXFTYQQHOX-CHWSQXEVSA-N 1 0 375.416 2.458 20 0 GEADRO O[C@@H](C[NH2+][C@H](c1cncc(Br)c1)C1CC1)COC1CCOCC1 ZINC000284769046 532618832 /nfs/dbraw/zinc/61/88/32/532618832.db2.gz MOXLJTIGNDROHI-RDJZCZTQSA-N 1 0 385.302 2.441 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000284766799 532619137 /nfs/dbraw/zinc/61/91/37/532619137.db2.gz MTXQTCOCPAGKOU-CHWSQXEVSA-N 1 0 397.317 2.267 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000597511452 532619414 /nfs/dbraw/zinc/61/94/14/532619414.db2.gz YTBVZXFTYQQHOX-OLZOCXBDSA-N 1 0 375.416 2.458 20 0 GEADRO O=C(NCc1ccsc1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000298036044 532619872 /nfs/dbraw/zinc/61/98/72/532619872.db2.gz RFMWIRDHQZDEQZ-GFCCVEGCSA-N 1 0 376.320 2.157 20 0 GEADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000566611044 532619828 /nfs/dbraw/zinc/61/98/28/532619828.db2.gz VAHLUQHBAIWOSH-CYBMUJFWSA-N 1 0 387.311 2.061 20 0 GEADRO C[C@@]12COC[C@]1(C)C[N@H+]([C@H]1CC(=O)N(c3ccc(Br)cc3)C1=O)C2 ZINC000656477126 532620907 /nfs/dbraw/zinc/62/09/07/532620907.db2.gz CVRGJBXUKHMWLQ-JCGIZDLHSA-N 1 0 393.281 2.439 20 0 GEADRO O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000566157952 532596712 /nfs/dbraw/zinc/59/67/12/532596712.db2.gz XIGCFOUMMUINAB-LRDDRELGSA-N 1 0 379.233 2.916 20 0 GEADRO C[C@H](O)CN1CCN(C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000284515672 532597564 /nfs/dbraw/zinc/59/75/64/532597564.db2.gz DZNDFYXJDBPCLL-VIFPVBQESA-N 1 0 378.217 2.258 20 0 GEADRO O=S1(=O)CC[C@H](N(Cc2cccc(I)c2)C2CC2)C1 ZINC000284521106 532597587 /nfs/dbraw/zinc/59/75/87/532597587.db2.gz ZBZKDCMRRIGDKI-AWEZNQCLSA-N 1 0 391.274 2.443 20 0 GEADRO CCC[C@@](C)([NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000262702396 532597650 /nfs/dbraw/zinc/59/76/50/532597650.db2.gz JDWLZDUGCOIETN-QGZVFWFLSA-N 1 0 384.318 2.431 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CC=C(c2cccc(Br)c2)CC1 ZINC000529373720 532598357 /nfs/dbraw/zinc/59/83/57/532598357.db2.gz CLRNHIUODZJTGB-MRXNPFEDSA-N 1 0 380.286 2.236 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000529375358 532598894 /nfs/dbraw/zinc/59/88/94/532598894.db2.gz GRRYDZJYHCODQC-LSDHHAIUSA-N 1 0 386.265 2.423 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262764705 532598970 /nfs/dbraw/zinc/59/89/70/532598970.db2.gz KMOPAJWKYRQXLF-CFVMTHIKSA-N 1 0 388.917 2.269 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000529378233 532599001 /nfs/dbraw/zinc/59/90/01/532599001.db2.gz OQTJSOAMHBVEKS-MRXNPFEDSA-N 1 0 382.302 2.359 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529378341 532599083 /nfs/dbraw/zinc/59/90/83/532599083.db2.gz PXLVSNORFVHXQM-LBPRGKRZSA-N 1 0 376.682 2.232 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cnc(-c2ccsc2)s1 ZINC000434705042 532599369 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CCS(=O)(=O)NCCC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284971135 532635896 /nfs/dbraw/zinc/63/58/96/532635896.db2.gz XQWOMVJXHAZWSP-CQSZACIVSA-N 1 0 376.320 2.214 20 0 GEADRO CN([C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C1CC[NH+](CCO)CC1 ZINC000475052112 532636239 /nfs/dbraw/zinc/63/62/39/532636239.db2.gz ITKYPSPOHCJNRN-QGZVFWFLSA-N 1 0 386.323 2.487 20 0 GEADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000632661313 532636298 /nfs/dbraw/zinc/63/62/98/532636298.db2.gz XQSDTKPKDPWTFU-UHFFFAOYSA-N 1 0 376.320 2.339 20 0 GEADRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1nc(C(F)(F)F)cs1 ZINC000298259747 532636696 /nfs/dbraw/zinc/63/66/96/532636696.db2.gz LJBIUIPOBCYASW-GHMZBOCLSA-N 1 0 380.436 2.369 20 0 GEADRO C[C@@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000263727681 532637821 /nfs/dbraw/zinc/63/78/21/532637821.db2.gz GIHKDPIBFMAHOU-AWEZNQCLSA-N 1 0 382.346 2.479 20 0 GEADRO NC(=O)c1csc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000377050651 532638100 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CC(C)Oc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)ccc1Br ZINC000633035910 532659946 /nfs/dbraw/zinc/65/99/46/532659946.db2.gz IDAWLIHMWPFHAV-GHMZBOCLSA-N 1 0 384.274 2.123 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000633038262 532659991 /nfs/dbraw/zinc/65/99/91/532659991.db2.gz GAWHWNITQAAZII-HTQZYQBOSA-N 1 0 394.191 2.355 20 0 GEADRO O=C(CCCOc1cccc(Br)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377568156 532661557 /nfs/dbraw/zinc/66/15/57/532661557.db2.gz ZKSRKQUCZRHEBP-MRXNPFEDSA-N 1 0 396.329 2.114 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633195224 532661781 /nfs/dbraw/zinc/66/17/81/532661781.db2.gz CUSVWLUUNLAOGP-GJZGRUSLSA-N 1 0 393.285 2.032 20 0 GEADRO Ic1cnc(C[NH2+]CCCOC[C@@H]2CCCO2)s1 ZINC000285243076 532662123 /nfs/dbraw/zinc/66/21/23/532662123.db2.gz ADFBWLYRCXYNTP-JTQLQIEISA-N 1 0 382.267 2.423 20 0 GEADRO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000298592710 532662661 /nfs/dbraw/zinc/66/26/61/532662661.db2.gz ZOJVSOFAELNJNR-CYBMUJFWSA-N 1 0 378.416 2.048 20 0 GEADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377582405 532662618 /nfs/dbraw/zinc/66/26/18/532662618.db2.gz OFJBTYUOOIRJJD-DZGCQCFKSA-N 1 0 398.370 2.436 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298598528 532662861 /nfs/dbraw/zinc/66/28/61/532662861.db2.gz LPQMITSGDCPQRZ-CABCVRRESA-N 1 0 380.286 2.439 20 0 GEADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000298601415 532662898 /nfs/dbraw/zinc/66/28/98/532662898.db2.gz ZDKZNDZDCWUUMO-UHFFFAOYSA-N 1 0 382.555 2.343 20 0 GEADRO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526216 532664192 /nfs/dbraw/zinc/66/41/92/532664192.db2.gz HRVDONAWIAUKJI-GXFFZTMASA-N 1 0 386.315 2.460 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)[NH+](C)C ZINC000298610802 532664510 /nfs/dbraw/zinc/66/45/10/532664510.db2.gz VOIKNDOJPIKXMH-QMMMGPOBSA-N 1 0 396.207 2.473 20 0 GEADRO CC(C)N(CCS(=O)(=O)N(C)C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000285288436 532665798 /nfs/dbraw/zinc/66/57/98/532665798.db2.gz AXXOBFASCWLJLR-UHFFFAOYSA-N 1 0 386.905 2.492 20 0 GEADRO COC(=O)[C@@]1(OC)CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000599568376 532666151 /nfs/dbraw/zinc/66/61/51/532666151.db2.gz HAAFBHIBTQILSJ-MRXNPFEDSA-N 1 0 385.258 2.042 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccsc1C(F)(F)F ZINC000633385817 532666298 /nfs/dbraw/zinc/66/62/98/532666298.db2.gz IMEYOKVFZYMFRL-SNVBAGLBSA-N 1 0 378.420 2.028 20 0 GEADRO COc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000438116525 532666643 /nfs/dbraw/zinc/66/66/43/532666643.db2.gz NDGDLUWHWUFUPV-ZDUSSCGKSA-N 1 0 399.333 2.463 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(F)cc1Br ZINC000567861705 532666757 /nfs/dbraw/zinc/66/67/57/532666757.db2.gz PSSDBTCFBMGZNV-MFKMUULPSA-N 1 0 377.279 2.269 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000633431411 532667297 /nfs/dbraw/zinc/66/72/97/532667297.db2.gz UCKWCPWOHYKSRY-CYBMUJFWSA-N 1 0 384.322 2.104 20 0 GEADRO O=C(Nc1cc(Br)ccn1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000285095031 532646747 /nfs/dbraw/zinc/64/67/47/532646747.db2.gz LZEZVYRSRUAVKA-UHFFFAOYSA-N 1 0 383.290 2.420 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000477280815 532648117 /nfs/dbraw/zinc/64/81/17/532648117.db2.gz NDALQDIGRLPZJJ-UHFFFAOYSA-N 1 0 397.313 2.268 20 0 GEADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632865659 532648326 /nfs/dbraw/zinc/64/83/26/532648326.db2.gz WQHHPFZOXFNNMN-FZMZJTMJSA-N 1 0 381.270 2.434 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N[C@H](C)CC[NH3+] ZINC000477281325 532648346 /nfs/dbraw/zinc/64/83/46/532648346.db2.gz WSBZFEGCLUEDLP-SSDOTTSWSA-N 1 0 382.629 2.420 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NC[C@@H](n1cncn1)C(F)(F)F)c1ccsc1 ZINC000632857742 532648505 /nfs/dbraw/zinc/64/85/05/532648505.db2.gz WJOVLZGAQBCGPY-NWDGAFQWSA-N 1 0 376.408 2.045 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1Cl ZINC000660008927 532668859 /nfs/dbraw/zinc/66/88/59/532668859.db2.gz IDECFNYOASJUDQ-LBPRGKRZSA-N 1 0 376.906 2.462 20 0 GEADRO Cn1cc(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)cc(Br)c1=O ZINC000632922535 532650156 /nfs/dbraw/zinc/65/01/56/532650156.db2.gz ZBQRXBDSSRFMBY-ZDUSSCGKSA-N 1 0 393.285 2.229 20 0 GEADRO CCOc1ccc(NC(=O)N2CCC([NH2+]CCO)CC2)cc1Br ZINC000632936261 532650776 /nfs/dbraw/zinc/65/07/76/532650776.db2.gz JIEPLOKRZOZQHI-UHFFFAOYSA-N 1 0 386.290 2.426 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2cccc(I)c2C)[C@H](C[NH3+])C1 ZINC000567344929 532650783 /nfs/dbraw/zinc/65/07/83/532650783.db2.gz NYVGJVJSHSUHFR-NWDGAFQWSA-N 1 0 388.249 2.178 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567351818 532651184 /nfs/dbraw/zinc/65/11/84/532651184.db2.gz CNSQMPSUMRTMLX-QMTHXVAHSA-N 1 0 398.859 2.029 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000377320323 532651338 /nfs/dbraw/zinc/65/13/38/532651338.db2.gz BRRGSWRZKRWYIA-JTQLQIEISA-N 1 0 388.331 2.312 20 0 GEADRO C[C@@H](CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)n1ccnc1 ZINC000567392283 532651917 /nfs/dbraw/zinc/65/19/17/532651917.db2.gz LKHJDQCZVOQLOG-LRDDRELGSA-N 1 0 391.269 2.296 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000567387727 532651981 /nfs/dbraw/zinc/65/19/81/532651981.db2.gz GHTWXEUZPALAOY-JXFSHQFZSA-N 1 0 394.313 2.305 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000567387728 532652547 /nfs/dbraw/zinc/65/25/47/532652547.db2.gz GHTWXEUZPALAOY-NFFDBFGFSA-N 1 0 394.313 2.305 20 0 GEADRO C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1)C[NH+](C)C ZINC000567377426 532652657 /nfs/dbraw/zinc/65/26/57/532652657.db2.gz MAYFSDHMIHRGSO-SNVBAGLBSA-N 1 0 381.420 2.004 20 0 GEADRO [NH3+]C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)C(F)(F)F ZINC000632953786 532652687 /nfs/dbraw/zinc/65/26/87/532652687.db2.gz ALXZDGPRCNIEQP-OHBODLIOSA-N 1 0 378.192 2.276 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C12CCC[NH+]1CCC2 ZINC000377770881 532669466 /nfs/dbraw/zinc/66/94/66/532669466.db2.gz BPKGVMQGNXRGFV-UHFFFAOYSA-N 1 0 380.286 2.441 20 0 GEADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000263974129 532653404 /nfs/dbraw/zinc/65/34/04/532653404.db2.gz XAVHAURRDOIVCL-UHFFFAOYSA-N 1 0 389.587 2.217 20 0 GEADRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCn1cc(Br)ccc1=O ZINC000567440376 532653698 /nfs/dbraw/zinc/65/36/98/532653698.db2.gz ROQJGMUBCDVDCT-CQSZACIVSA-N 1 0 384.318 2.382 20 0 GEADRO CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000567455414 532654134 /nfs/dbraw/zinc/65/41/34/532654134.db2.gz MHQHLXWFXBFJPI-UKRRQHHQSA-N 1 0 398.301 2.293 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000633001971 532655294 /nfs/dbraw/zinc/65/52/94/532655294.db2.gz LHZOQLRBGFOIBW-CYBMUJFWSA-N 1 0 386.290 2.274 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)ccc1Br ZINC000633002179 532655345 /nfs/dbraw/zinc/65/53/45/532655345.db2.gz IGGFQSMQDDKEDZ-ZDUSSCGKSA-N 1 0 384.274 2.028 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ncccc2Br)CC[N@@H+](C2CCC2)C1 ZINC000656994847 532655682 /nfs/dbraw/zinc/65/56/82/532655682.db2.gz RAPSMJSIOKXWMH-GFCCVEGCSA-N 1 0 388.331 2.339 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(OC(C)C)c2)C1 ZINC000633000604 532655850 /nfs/dbraw/zinc/65/58/50/532655850.db2.gz KMZGUOKMWOIJEZ-ZDUSSCGKSA-N 1 0 398.301 2.385 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000285182120 532656242 /nfs/dbraw/zinc/65/62/42/532656242.db2.gz DHWHFVHNARYHPS-HNNXBMFYSA-N 1 0 375.523 2.131 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)C[C@@H]1O ZINC000567518190 532657488 /nfs/dbraw/zinc/65/74/88/532657488.db2.gz JHPZPYBMVBVGKC-QWRGUYRKSA-N 1 0 397.191 2.095 20 0 GEADRO O=C(CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1)NC(=O)NCC(F)(F)F ZINC000298541919 532657875 /nfs/dbraw/zinc/65/78/75/532657875.db2.gz NGMZRHGERODSOL-LBPRGKRZSA-N 1 0 381.782 2.131 20 0 GEADRO COC[C@@H](O)C[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000567707303 532657881 /nfs/dbraw/zinc/65/78/81/532657881.db2.gz PUKYUBUAQQMNJM-GJZGRUSLSA-N 1 0 385.302 2.158 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C[C@@H]1[NH+](C)C ZINC000478527661 532658750 /nfs/dbraw/zinc/65/87/50/532658750.db2.gz GYAFQINSTUCSNP-UHOFOFEASA-N 1 0 381.929 2.197 20 0 GEADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000567699707 532658833 /nfs/dbraw/zinc/65/88/33/532658833.db2.gz YZYSBAUNCXSSBK-QRTARXTBSA-N 1 0 387.318 2.030 20 0 GEADRO CSC1(CNS(=O)(=O)Cc2cccc3cccnc32)CC[NH+](C)CC1 ZINC000567721067 532658923 /nfs/dbraw/zinc/65/89/23/532658923.db2.gz FMXASWUFEDVLOE-UHFFFAOYSA-N 1 0 379.551 2.482 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000633036577 532659226 /nfs/dbraw/zinc/65/92/26/532659226.db2.gz LRAQUABUYSMOCA-KYZUINATSA-N 1 0 390.228 2.300 20 0 GEADRO CCCN1C[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1=O ZINC000567694497 532659168 /nfs/dbraw/zinc/65/91/68/532659168.db2.gz UUMZGPAHYMMSSK-HIFRSBDPSA-N 1 0 385.302 2.037 20 0 GEADRO C[N@H+](CCNC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1)C1CC1 ZINC000377455755 532659312 /nfs/dbraw/zinc/65/93/12/532659312.db2.gz OEWHUANNHGSMLH-CYBMUJFWSA-N 1 0 381.318 2.271 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000633036974 532659317 /nfs/dbraw/zinc/65/93/17/532659317.db2.gz PXYIFBLCGMPLRG-XYPYZODXSA-N 1 0 384.274 2.030 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c(F)cc1Br ZINC000633036317 532659618 /nfs/dbraw/zinc/65/96/18/532659618.db2.gz KRJFJQXKYAWARU-XYPYZODXSA-N 1 0 386.265 2.469 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000298546055 532659705 /nfs/dbraw/zinc/65/97/05/532659705.db2.gz DHKZPWXVDOUVDI-UHFFFAOYSA-N 1 0 384.318 2.208 20 0 GEADRO O=C(C[N@@H+]1CCC[C@H]1C1CC1)NCC(=O)Nc1ccccc1Br ZINC000377542247 532659872 /nfs/dbraw/zinc/65/98/72/532659872.db2.gz GDBHIJDUJBOKJD-HNNXBMFYSA-N 1 0 380.286 2.378 20 0 GEADRO 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COC(=O)C1(CS(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCCCC1 ZINC000489522233 532706800 /nfs/dbraw/zinc/70/68/00/532706800.db2.gz YQDIPOCSOSOOFG-HNNXBMFYSA-N 1 0 376.563 2.396 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000285788693 532707228 /nfs/dbraw/zinc/70/72/28/532707228.db2.gz XSXCPCWRUPMTRQ-IVCQMTBJSA-N 1 0 375.519 2.316 20 0 GEADRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000390825558 532707431 /nfs/dbraw/zinc/70/74/31/532707431.db2.gz ZENGQNJTSJSXHB-ZETCQYMHSA-N 1 0 375.210 2.484 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1cccnc1 ZINC000572642994 532708231 /nfs/dbraw/zinc/70/82/31/532708231.db2.gz FFUBREGUTLUSEC-CJNGLKHVSA-N 1 0 399.260 2.089 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCC2 ZINC000537421643 532708326 /nfs/dbraw/zinc/70/83/26/532708326.db2.gz HTKSMNGFEFPUCU-HZSPNIEDSA-N 1 0 384.567 2.217 20 0 GEADRO CN1CC[C@@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)[C@H]2C1 ZINC000285798165 532709096 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C[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000440335202 532709879 /nfs/dbraw/zinc/70/98/79/532709879.db2.gz FXHZRNDXKUEOMD-RKDXNWHRSA-N 1 0 383.258 2.394 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNCc1c(Br)cncc1Br ZINC000394565116 532710251 /nfs/dbraw/zinc/71/02/51/532710251.db2.gz KZXJWLPEIQBGCF-LBPRGKRZSA-N 1 0 381.112 2.009 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000440361623 532711637 /nfs/dbraw/zinc/71/16/37/532711637.db2.gz UZCBYQXDINTLBL-WDEREUQCSA-N 1 0 377.304 2.124 20 0 GEADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000440361459 532712610 /nfs/dbraw/zinc/71/26/10/532712610.db2.gz UGJGMHXDWBPHKX-SECBINFHSA-N 1 0 387.221 2.450 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)[C@]12CCCO2 ZINC000574386070 532713461 /nfs/dbraw/zinc/71/34/61/532713461.db2.gz DXNXICIJURLAMC-MKVSYHDVSA-N 1 0 385.302 2.316 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000266261687 532713658 /nfs/dbraw/zinc/71/36/58/532713658.db2.gz DWPXGGUAVPKSHU-LBPRGKRZSA-N 1 0 376.320 2.197 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000299428559 532715310 /nfs/dbraw/zinc/71/53/10/532715310.db2.gz VAYKBYICWAISAO-ZIAGYGMSSA-N 1 0 384.318 2.165 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000408255453 532715249 /nfs/dbraw/zinc/71/52/49/532715249.db2.gz IRVGRXNALCYXIH-CYBMUJFWSA-N 1 0 386.283 2.159 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)[C@H]2C1 ZINC000538713949 532716516 /nfs/dbraw/zinc/71/65/16/532716516.db2.gz PXURDJBCBQJOSI-ZBEGNZNMSA-N 1 0 390.281 2.457 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1Br ZINC000494316744 532716790 /nfs/dbraw/zinc/71/67/90/532716790.db2.gz KYNZHBIIWZHGBF-CMPLNLGQSA-N 1 0 383.290 2.413 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670496648 532717239 /nfs/dbraw/zinc/71/72/39/532717239.db2.gz WFOLVTPDZNJXHJ-CYBMUJFWSA-N 1 0 386.323 2.452 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670495254 532717515 /nfs/dbraw/zinc/71/75/15/532717515.db2.gz BEARCOMQIKVVPY-HUUCEWRRSA-N 1 0 384.307 2.395 20 0 GEADRO Cc1ccsc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000538757318 532717600 /nfs/dbraw/zinc/71/76/00/532717600.db2.gz GMWSHQAGXZOFCP-DLBZAZTESA-N 1 0 380.535 2.218 20 0 GEADRO CCN(C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)[C@H](C)CS(C)(=O)=O ZINC000497352111 532721889 /nfs/dbraw/zinc/72/18/89/532721889.db2.gz HGLANPKWHHSXJY-IAGOWNOFSA-N 1 0 375.579 2.208 20 0 GEADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000440730242 532722039 /nfs/dbraw/zinc/72/20/39/532722039.db2.gz DQTXZGRPRPDDNJ-JSGCOSHPSA-N 1 0 376.906 2.017 20 0 GEADRO O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266710904 532722425 /nfs/dbraw/zinc/72/24/25/532722425.db2.gz NMMRQDFQVVGTOQ-LBPRGKRZSA-N 1 0 386.279 2.113 20 0 GEADRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000646107925 532722938 /nfs/dbraw/zinc/72/29/38/532722938.db2.gz HJZIYZCXNBECST-ABAIWWIYSA-N 1 0 380.794 2.080 20 0 GEADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000285971378 532723068 /nfs/dbraw/zinc/72/30/68/532723068.db2.gz DSVOFKPCSBVPQG-GOEBONIOSA-N 1 0 385.555 2.153 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000440861190 532723098 /nfs/dbraw/zinc/72/30/98/532723098.db2.gz RAENFGYMPRTSLN-BDAKNGLRSA-N 1 0 381.267 2.145 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000440856074 532723248 /nfs/dbraw/zinc/72/32/48/532723248.db2.gz GPLIYKUOVSTARI-AWEZNQCLSA-N 1 0 395.294 2.265 20 0 GEADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000646108255 532723272 /nfs/dbraw/zinc/72/32/72/532723272.db2.gz QEHFRCQVFQEZIB-IUODEOHRSA-N 1 0 380.794 2.080 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCc2cc(Br)cc(F)c2C1 ZINC000576135090 532723465 /nfs/dbraw/zinc/72/34/65/532723465.db2.gz FRSYZVQPWOQLBX-CYBMUJFWSA-N 1 0 386.265 2.034 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000440858973 532723720 /nfs/dbraw/zinc/72/37/20/532723720.db2.gz MFVIDYOAZNCPRY-OAHLLOKOSA-N 1 0 377.869 2.106 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCN(c2cccc(Br)c2)CC1 ZINC000612989573 532723935 /nfs/dbraw/zinc/72/39/35/532723935.db2.gz YJRMPMCIPGWYSO-MRXNPFEDSA-N 1 0 393.329 2.423 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000612990587 532724167 /nfs/dbraw/zinc/72/41/67/532724167.db2.gz UFTFLLYPUCUHFE-TZMCWYRMSA-N 1 0 384.249 2.463 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCOc2cc(Br)ccc2C1 ZINC000612997210 532724345 /nfs/dbraw/zinc/72/43/45/532724345.db2.gz VMMZMISKPBUWIE-OAHLLOKOSA-N 1 0 380.286 2.495 20 0 GEADRO COc1ccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c(I)c1 ZINC000286009781 532724549 /nfs/dbraw/zinc/72/45/49/532724549.db2.gz JEYUHKAUCCGLFR-IMSIIYSGSA-N 1 0 388.249 2.416 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c(Cl)c1Cl ZINC000440864299 532725455 /nfs/dbraw/zinc/72/54/55/532725455.db2.gz WGWBJTCAGKFETA-NXEZZACHSA-N 1 0 383.297 2.129 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000440863917 532725486 /nfs/dbraw/zinc/72/54/86/532725486.db2.gz QJDVXKUHYJJQDK-NWANDNLSSA-N 1 0 388.917 2.304 20 0 GEADRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000539216000 532726729 /nfs/dbraw/zinc/72/67/29/532726729.db2.gz BLRHVKRZZHVUNJ-BDJLRTHQSA-N 1 0 399.310 2.481 20 0 GEADRO CC[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1nc(C(F)(F)F)cs1 ZINC000266847280 532727069 /nfs/dbraw/zinc/72/70/69/532727069.db2.gz PSRRNTXRFHDZHE-MNOVXSKESA-N 1 0 379.452 2.158 20 0 GEADRO CS(=O)(=O)CCCCC[NH2+]Cc1ncc(I)s1 ZINC000286088908 532727795 /nfs/dbraw/zinc/72/77/95/532727795.db2.gz SSGDDXPXDMKWHR-UHFFFAOYSA-N 1 0 388.296 2.052 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000299582692 532729252 /nfs/dbraw/zinc/72/92/52/532729252.db2.gz CTLZYJMDZWKBJC-LBPRGKRZSA-N 1 0 378.947 2.373 20 0 GEADRO C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409903007 532729318 /nfs/dbraw/zinc/72/93/18/532729318.db2.gz OXAFIXZBHIKQBY-WMZOPIPTSA-N 1 0 381.314 2.347 20 0 GEADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(S(N)(=O)=O)cc1Cl ZINC000539447318 532730521 /nfs/dbraw/zinc/73/05/21/532730521.db2.gz ZGLBIIPMRRKLKG-UHFFFAOYSA-N 1 0 387.933 2.324 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(OC)ccc2Br)CC1 ZINC000267033461 532732522 /nfs/dbraw/zinc/73/25/22/532732522.db2.gz LMLQTNZVRHJJLG-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000645642361 532718715 /nfs/dbraw/zinc/71/87/15/532718715.db2.gz XBPKLFDFPFPYSL-LLVKDONJSA-N 1 0 376.425 2.359 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)C[C@H]1[NH+]1CCCC1 ZINC000408445556 532719161 /nfs/dbraw/zinc/71/91/61/532719161.db2.gz YHQIAUWCJZCDEU-MNOVXSKESA-N 1 0 395.344 2.242 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000645642362 532719296 /nfs/dbraw/zinc/71/92/96/532719296.db2.gz XBPKLFDFPFPYSL-NSHDSACASA-N 1 0 376.425 2.359 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000540723359 532742632 /nfs/dbraw/zinc/74/26/32/532742632.db2.gz MSEKGHADGDIYJM-GDZNZVCISA-N 1 0 384.929 2.246 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N(C)CC[NH+](C)C)ccc1Br ZINC000410915223 532743508 /nfs/dbraw/zinc/74/35/08/532743508.db2.gz MOWZOWWDYRHVQH-MRXNPFEDSA-N 1 0 396.329 2.441 20 0 GEADRO COc1ccc(Cl)cc1CS(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000503243323 532744575 /nfs/dbraw/zinc/74/45/75/532744575.db2.gz HAILKZOSWCYKRH-UKRRQHHQSA-N 1 0 378.947 2.156 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000579929216 532745071 /nfs/dbraw/zinc/74/50/71/532745071.db2.gz NJIOHNXHGNPLHW-LLVKDONJSA-N 1 0 379.262 2.151 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000503340720 532746304 /nfs/dbraw/zinc/74/63/04/532746304.db2.gz JGQNZBQLVIKNSV-SNVBAGLBSA-N 1 0 391.331 2.231 20 0 GEADRO C[C@@H](NC(=O)C1([NH+](C)C)CC1)c1ccc(Br)cc1OCCCO ZINC000615114698 532746478 /nfs/dbraw/zinc/74/64/78/532746478.db2.gz KTHGIEJTUCJWTI-GFCCVEGCSA-N 1 0 385.302 2.482 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000615088239 532746512 /nfs/dbraw/zinc/74/65/12/532746512.db2.gz QPEDINGOUCXWOD-LBPRGKRZSA-N 1 0 382.302 2.478 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1Br ZINC000615086320 532746573 /nfs/dbraw/zinc/74/65/73/532746573.db2.gz LCPMXMRKPXGSHE-LLVKDONJSA-N 1 0 385.306 2.060 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000286446522 532747819 /nfs/dbraw/zinc/74/78/19/532747819.db2.gz YHNJMYMXEVJUPH-UHFFFAOYSA-N 1 0 389.290 2.242 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000267141726 532733632 /nfs/dbraw/zinc/73/36/32/532733632.db2.gz KLESUTGHBBXNSJ-UHFFFAOYSA-N 1 0 375.560 2.096 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@H](O)c2c(F)cccc2Cl)CCSC1 ZINC000267138016 532733826 /nfs/dbraw/zinc/73/38/26/532733826.db2.gz DVOQVLIJDIMFCM-XJKSGUPXSA-N 1 0 375.897 2.249 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)NCCc2nc(C(F)(F)F)cs2)cn1 ZINC000673870120 532734046 /nfs/dbraw/zinc/73/40/46/532734046.db2.gz IAMHSAWLVKUAIZ-UHFFFAOYSA-N 1 0 376.408 2.284 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000442792173 532734724 /nfs/dbraw/zinc/73/47/24/532734724.db2.gz PHNDQXOFAQRJRG-UTUOFQBUSA-N 1 0 387.265 2.287 20 0 GEADRO COc1ccccc1[C@@H](CNc1cnn(C)c(=O)c1Br)[NH+](C)C ZINC000301258829 532747839 /nfs/dbraw/zinc/74/78/39/532747839.db2.gz UOYGHNLRIZNIQG-CYBMUJFWSA-N 1 0 381.274 2.266 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCC3([NH+](C)C)CCCCC3)cnc2c1Cl ZINC000500792716 532735331 /nfs/dbraw/zinc/73/53/31/532735331.db2.gz LIJRPZIWUQDVEP-UHFFFAOYSA-N 1 0 385.921 2.234 20 0 GEADRO CC(C)(CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)S(C)(=O)=O ZINC000674028674 532735462 /nfs/dbraw/zinc/73/54/62/532735462.db2.gz GPUJVCBVTZMEFK-CQSZACIVSA-N 1 0 387.571 2.083 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000578501439 532737197 /nfs/dbraw/zinc/73/71/97/532737197.db2.gz GMGCFXTZMVKRIK-HNNXBMFYSA-N 1 0 386.677 2.253 20 0 GEADRO CN1CCC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1=O ZINC000540907721 532747902 /nfs/dbraw/zinc/74/79/02/532747902.db2.gz LXFBTMIQBOWIAW-AWEZNQCLSA-N 1 0 395.301 2.115 20 0 GEADRO CC(C)(C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000578670287 532738343 /nfs/dbraw/zinc/73/83/43/532738343.db2.gz QWCJJYPPKQUWIQ-SFHVURJKSA-N 1 0 381.314 2.300 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)sc1C(F)(F)F ZINC000578691895 532738584 /nfs/dbraw/zinc/73/85/84/532738584.db2.gz DPBZXXUXJORLMR-VHSXEESVSA-N 1 0 378.420 2.398 20 0 GEADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614506660 532739051 /nfs/dbraw/zinc/73/90/51/532739051.db2.gz HTBYTZPOZQXNRU-AWEZNQCLSA-N 1 0 378.929 2.388 20 0 GEADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1c(I)cnn1C ZINC000501207524 532740035 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O=C(Cc1cc(Br)ccc1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480998 532763229 /nfs/dbraw/zinc/76/32/29/532763229.db2.gz OBMKZTNEOHPDAW-OAHLLOKOSA-N 1 0 385.277 2.188 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000286583670 532756396 /nfs/dbraw/zinc/75/63/96/532756396.db2.gz VFBQLUDDEPCVDJ-TYNCELHUSA-N 1 0 394.313 2.368 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000618341981 532756787 /nfs/dbraw/zinc/75/67/87/532756787.db2.gz RHUROVGKRFKLSK-WFASDCNBSA-N 1 0 375.296 2.454 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000286605430 532757246 /nfs/dbraw/zinc/75/72/46/532757246.db2.gz HHMJHVZPERNYRQ-BLLLJJGKSA-N 1 0 386.901 2.374 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000268167771 532757514 /nfs/dbraw/zinc/75/75/14/532757514.db2.gz LAVAHDUJCNNSEH-NHYWBVRUSA-N 1 0 380.286 2.295 20 0 GEADRO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCc2c(Br)cccc2C1 ZINC000581878915 532757936 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C[N@@H+]1CC[C@@H](NC(=O)NCCn2cc(Br)cn2)[C@@H]1c1ccccc1 ZINC000286682780 532761424 /nfs/dbraw/zinc/76/14/24/532761424.db2.gz KGHKFTRFXCXKHX-CVEARBPZSA-N 1 0 392.301 2.390 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccoc2Br)CC1 ZINC000286682603 532761542 /nfs/dbraw/zinc/76/15/42/532761542.db2.gz NGCKPOMQOGXYCR-UHFFFAOYSA-N 1 0 389.290 2.242 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cnn(-c2cccc(Br)c2)c1 ZINC000582784796 532761618 /nfs/dbraw/zinc/76/16/18/532761618.db2.gz HGHBZHBAGFILHM-ZDUSSCGKSA-N 1 0 385.212 2.362 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000583033363 532762498 /nfs/dbraw/zinc/76/24/98/532762498.db2.gz GRFHLXJSGJIOMG-LLVKDONJSA-N 1 0 384.830 2.073 20 0 GEADRO NC(=O)c1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c(Cl)c1 ZINC000301307372 532748129 /nfs/dbraw/zinc/74/81/29/532748129.db2.gz ZXALONIPXIBSAR-VIFPVBQESA-N 1 0 378.889 2.379 20 0 GEADRO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Oc1cccc(Br)c1 ZINC000580463459 532748506 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C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ncc(Br)s1 ZINC000616174750 532752090 /nfs/dbraw/zinc/75/20/90/532752090.db2.gz MLBPDZFOAZCBDA-UHFFFAOYSA-N 1 0 392.319 2.251 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CCOc2cc(F)cc(Br)c2)CCOC1 ZINC000445790980 532753446 /nfs/dbraw/zinc/75/34/46/532753446.db2.gz PSSHHHXBXNCSJQ-HNNXBMFYSA-N 1 0 376.222 2.279 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000269024700 532775474 /nfs/dbraw/zinc/77/54/74/532775474.db2.gz GUFNWRNXCHNNQU-CYBMUJFWSA-N 1 0 391.946 2.143 20 0 GEADRO CN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H]1CCC[N@H+](C)C1 ZINC000303902983 532776225 /nfs/dbraw/zinc/77/62/25/532776225.db2.gz LNBWJBUUBSZLSJ-BBRMVZONSA-N 1 0 394.313 2.355 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000511854498 532776159 /nfs/dbraw/zinc/77/61/59/532776159.db2.gz QSIPBYDTGSLQSC-GFCCVEGCSA-N 1 0 395.978 2.307 20 0 GEADRO CC[NH2+]Cc1cccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 ZINC000269176721 532776772 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CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(C)cc1Br ZINC000542757581 532778986 /nfs/dbraw/zinc/77/89/86/532778986.db2.gz VQTKVJQLYGRWJI-UHFFFAOYSA-N 1 0 393.347 2.394 20 0 GEADRO CSc1nc2ncnc(N3CCCC[C@@H]([NH+]4CCN(C)CC4)C3)c2s1 ZINC000301992292 532763977 /nfs/dbraw/zinc/76/39/77/532763977.db2.gz YSPQDXJDDXHLEH-CYBMUJFWSA-N 1 0 378.571 2.415 20 0 GEADRO CN(C)c1nc2sc(C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2s1 ZINC000620487313 532764108 /nfs/dbraw/zinc/76/41/08/532764108.db2.gz VTLSWOHTVOKIBN-GFCCVEGCSA-N 1 0 380.539 2.095 20 0 GEADRO O=C(CCOc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620488755 532764286 /nfs/dbraw/zinc/76/42/86/532764286.db2.gz LXGQHWUMGWEFIW-INIZCTEOSA-N 1 0 397.313 2.276 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)CCO1 ZINC000620968075 532764629 /nfs/dbraw/zinc/76/46/29/532764629.db2.gz YOJSQVUEKPGZDD-ZDUSSCGKSA-N 1 0 399.285 2.361 20 0 GEADRO Nc1nc(-n2cccn2)cc(NCC(=O)Nc2ccc(Br)cc2)[nH+]1 ZINC000301994292 532764782 /nfs/dbraw/zinc/76/47/82/532764782.db2.gz ZZMOCNPCYDELQP-UHFFFAOYSA-N 1 0 388.229 2.058 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2ccc(Br)cc2O)CCO1 ZINC000620975586 532765326 /nfs/dbraw/zinc/76/53/26/532765326.db2.gz XXRORIWFCYRDDX-HNNXBMFYSA-N 1 0 385.302 2.266 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1Br ZINC000620973980 532765351 /nfs/dbraw/zinc/76/53/51/532765351.db2.gz FDQSLAQWRVJVLY-LBPRGKRZSA-N 1 0 386.290 2.041 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620977029 532765387 /nfs/dbraw/zinc/76/53/87/532765387.db2.gz QIUAAXXYRZUVAA-LBPRGKRZSA-N 1 0 386.290 2.041 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621101219 532765874 /nfs/dbraw/zinc/76/58/74/532765874.db2.gz GPQNBKVHERILFU-HNNXBMFYSA-N 1 0 384.929 2.352 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2([NH3+])CCCCC2)c1OC ZINC000583752076 532766485 /nfs/dbraw/zinc/76/64/85/532766485.db2.gz PYXGLAMBTKDMRB-UHFFFAOYSA-N 1 0 390.889 2.075 20 0 GEADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cccc(SC)c3)CC2)c1 ZINC000509374689 532767235 /nfs/dbraw/zinc/76/72/35/532767235.db2.gz VFRLKYKTAAOCFB-UHFFFAOYSA-N 1 0 379.507 2.323 20 0 GEADRO CN(CCN(C)S(=O)(=O)c1ccc(C(F)F)cc1)C1CC[NH+](C)CC1 ZINC000286769478 532768039 /nfs/dbraw/zinc/76/80/39/532768039.db2.gz WIYOBDADXUPZAU-UHFFFAOYSA-N 1 0 375.485 2.271 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc(I)cc3)C[C@@H]21 ZINC000584529915 532768130 /nfs/dbraw/zinc/76/81/30/532768130.db2.gz FFFIQNJNFYOYMI-TUKIKUTGSA-N 1 0 399.276 2.289 20 0 GEADRO Cc1cc(C[C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(Br)c2)[nH]n1 ZINC000584524881 532768176 /nfs/dbraw/zinc/76/81/76/532768176.db2.gz MBVCPRQGLZOBRU-LLVKDONJSA-N 1 0 386.315 2.475 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000451624699 532768111 /nfs/dbraw/zinc/76/81/11/532768111.db2.gz AYQAGFMAAPCNRK-DOMZBBRYSA-N 1 0 399.276 2.174 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1nc2c(cccc2Br)s1 ZINC000584578454 532769373 /nfs/dbraw/zinc/76/93/73/532769373.db2.gz BTHWXBMPKAKGDH-SECBINFHSA-N 1 0 384.303 2.084 20 0 GEADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286803685 532769762 /nfs/dbraw/zinc/76/97/62/532769762.db2.gz QZOUAGNZWSAVSJ-LBPRGKRZSA-N 1 0 377.286 2.050 20 0 GEADRO C[C@@H](O)C[NH+]1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000286809567 532769834 /nfs/dbraw/zinc/76/98/34/532769834.db2.gz XHIVGPLOEGZASX-LLVKDONJSA-N 1 0 383.315 2.470 20 0 GEADRO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+](C)C1 ZINC000411905440 532779731 /nfs/dbraw/zinc/77/97/31/532779731.db2.gz BKMGRUJYQNTQJL-VXGBXAGGSA-N 1 0 388.295 2.357 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ncc(Cl)n3C)CC2)cc1 ZINC000268813793 532770795 /nfs/dbraw/zinc/77/07/95/532770795.db2.gz FAFQRHPYFQQXCD-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1cccc(I)c1 ZINC000509462248 532771359 /nfs/dbraw/zinc/77/13/59/532771359.db2.gz GZELUROPUDDNHH-VXGBXAGGSA-N 1 0 387.265 2.254 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1OC(F)F ZINC000411642658 532772251 /nfs/dbraw/zinc/77/22/51/532772251.db2.gz ZBCBECYRUFMVBT-STQMWFEESA-N 1 0 378.441 2.247 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000268821327 532772708 /nfs/dbraw/zinc/77/27/08/532772708.db2.gz RZPZDUYGBREYPN-CYBMUJFWSA-N 1 0 386.315 2.239 20 0 GEADRO C[NH+](C)Cc1cccc(C(=O)NCCn2cc(Br)ccc2=O)c1 ZINC000452293673 532774589 /nfs/dbraw/zinc/77/45/89/532774589.db2.gz FPOITVBUYLJJGT-UHFFFAOYSA-N 1 0 378.270 2.102 20 0 GEADRO CC(C)CN(C(=O)C[NH2+][C@@H](c1cccs1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000542511883 532774581 /nfs/dbraw/zinc/77/45/81/532774581.db2.gz XJBHVWGRVVNSND-MAUKXSAKSA-N 1 0 384.567 2.461 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000544348590 532781987 /nfs/dbraw/zinc/78/19/87/532781987.db2.gz IVNUGKFJPHTBIE-HNNXBMFYSA-N 1 0 381.318 2.294 20 0 GEADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1cncc(Br)c1 ZINC000315331919 532782310 /nfs/dbraw/zinc/78/23/10/532782310.db2.gz MMTVCOIYBUNNLM-UHFFFAOYSA-N 1 0 384.299 2.384 20 0 GEADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)Nc1ccc(Br)cc1Cl ZINC000411983813 532782421 /nfs/dbraw/zinc/78/24/21/532782421.db2.gz CCYJIEWQXYXGGC-IINYFYTJSA-N 1 0 391.693 2.418 20 0 GEADRO CC[N@H+](CCc1cn(CC(=O)OC)nn1)Cc1cccc(Br)c1 ZINC000269595841 532784201 /nfs/dbraw/zinc/78/42/01/532784201.db2.gz UMAXEKZGCWCIMX-UHFFFAOYSA-N 1 0 381.274 2.278 20 0 GEADRO CCOC[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269608162 532784244 /nfs/dbraw/zinc/78/42/44/532784244.db2.gz LEEWIPVWKGNSTG-MRXNPFEDSA-N 1 0 385.302 2.497 20 0 GEADRO COC(=O)[C@H]1CSCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000412078767 532784396 /nfs/dbraw/zinc/78/43/96/532784396.db2.gz OOFZQLMSQRNURR-ZIAGYGMSSA-N 1 0 377.428 2.447 20 0 GEADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000287171335 532784930 /nfs/dbraw/zinc/78/49/30/532784930.db2.gz UQMFCWANVBSPJC-GOEBONIOSA-N 1 0 386.945 2.491 20 0 GEADRO O=C(Nc1cc(CSCCO)ccn1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412206807 532786562 /nfs/dbraw/zinc/78/65/62/532786562.db2.gz SZMBHMFSCGRNNV-MRXNPFEDSA-N 1 0 381.567 2.463 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000269732525 532788195 /nfs/dbraw/zinc/78/81/95/532788195.db2.gz WNCZRONEPCUCSK-ZDUSSCGKSA-N 1 0 387.933 2.085 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000287253050 532788545 /nfs/dbraw/zinc/78/85/45/532788545.db2.gz HJZXXFRNTHAVSM-XHDPSFHLSA-N 1 0 382.511 2.071 20 0 GEADRO O=C(Nc1cc(C(F)(F)F)ccc1Br)C(=O)N1CCC[NH2+]CC1 ZINC000323217356 532788703 /nfs/dbraw/zinc/78/87/03/532788703.db2.gz KTCWGPDWQQSGLL-UHFFFAOYSA-N 1 0 394.191 2.228 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccc(I)cc1)c1ccc(=O)[nH]n1 ZINC000287279550 532789855 /nfs/dbraw/zinc/78/98/55/532789855.db2.gz CUUKCJCKXYUAKA-SNVBAGLBSA-N 1 0 385.205 2.104 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000548447512 532790850 /nfs/dbraw/zinc/79/08/50/532790850.db2.gz YOINCGYCQVUSCG-AWEZNQCLSA-N 1 0 390.933 2.375 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1 ZINC000326781481 532790881 /nfs/dbraw/zinc/79/08/81/532790881.db2.gz NRXZBPSZWUSVDF-MRXNPFEDSA-N 1 0 383.897 2.411 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000269843154 532791153 /nfs/dbraw/zinc/79/11/53/532791153.db2.gz ALNUBMCLULWGPX-MRVPVSSYSA-N 1 0 378.217 2.122 20 0 GEADRO C[C@H]1CN(CCO)CCN1C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000458237338 532793473 /nfs/dbraw/zinc/79/34/73/532793473.db2.gz WXXABSKPRJDGIX-AWEZNQCLSA-N 1 0 398.345 2.435 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)COc2cccc(Br)c2)ccc1=O ZINC000270083928 532794293 /nfs/dbraw/zinc/79/42/93/532794293.db2.gz JAFQZSCNPMHGRD-UHFFFAOYSA-N 1 0 394.269 2.190 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)Cc2ccc(Br)cc2)ccc1=O ZINC000270074826 532794524 /nfs/dbraw/zinc/79/45/24/532794524.db2.gz HMEXFNMMHUHOBI-UHFFFAOYSA-N 1 0 378.270 2.354 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000549992809 532796939 /nfs/dbraw/zinc/79/69/39/532796939.db2.gz DURZCMSETFYFJL-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CSc2ccccc21)c1cccs1 ZINC000550003045 532796990 /nfs/dbraw/zinc/79/69/90/532796990.db2.gz ZBQKPHXIJQAQED-KBPBESRZSA-N 1 0 375.519 2.430 20 0 GEADRO CN(CCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc[nH+]cc1 ZINC000542785310 532780213 /nfs/dbraw/zinc/78/02/13/532780213.db2.gz LUGGUWMFYMCOLU-UHFFFAOYSA-N 1 0 381.885 2.151 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000269315465 532780223 /nfs/dbraw/zinc/78/02/23/532780223.db2.gz BFWDKCSXHNGQGC-UHFFFAOYSA-N 1 0 398.320 2.371 20 0 GEADRO C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C)C1=CC[N@H+](C)CC1 ZINC000542826442 532780665 /nfs/dbraw/zinc/78/06/65/532780665.db2.gz UAHKDMJPXBOEBL-GFCCVEGCSA-N 1 0 377.539 2.402 20 0 GEADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000514241764 532781010 /nfs/dbraw/zinc/78/10/10/532781010.db2.gz NHYOIECORBOWHG-NWDGAFQWSA-N 1 0 392.315 2.400 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000314070183 532781287 /nfs/dbraw/zinc/78/12/87/532781287.db2.gz UFCWXTYTMKZAMK-CQSZACIVSA-N 1 0 377.304 2.207 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1(C)C ZINC000329309920 532805623 /nfs/dbraw/zinc/80/56/23/532805623.db2.gz ZFFBBHJKLQINGL-LSDHHAIUSA-N 1 0 388.555 2.062 20 0 GEADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000271274907 532806325 /nfs/dbraw/zinc/80/63/25/532806325.db2.gz ORPKLNATASVIQQ-ZDUSSCGKSA-N 1 0 389.587 2.071 20 0 GEADRO COc1ccc(NC(=O)N[C@@H](C)C[NH+](C)C)c(I)c1 ZINC000287713994 532807300 /nfs/dbraw/zinc/80/73/00/532807300.db2.gz SFBMGNFDFUTAJF-VIFPVBQESA-N 1 0 377.226 2.371 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3nccn4c(Br)cnc34)CC[C@H]21 ZINC000271510731 532807597 /nfs/dbraw/zinc/80/75/97/532807597.db2.gz VPVPQXFWMJSGSE-NWDGAFQWSA-N 1 0 378.274 2.048 20 0 GEADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@H]1CCCCS1 ZINC000555693126 532808828 /nfs/dbraw/zinc/80/88/28/532808828.db2.gz WGIQAMRLDUPQCP-HUUCEWRRSA-N 1 0 381.567 2.403 20 0 GEADRO CCS(=O)(=O)CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000413332191 532810166 /nfs/dbraw/zinc/81/01/66/532810166.db2.gz QAKNPHXFLMPYKZ-ZBFHGGJFSA-N 1 0 387.571 2.255 20 0 GEADRO Cn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(-c2ccc(Cl)s2)n1 ZINC000556359263 532810216 /nfs/dbraw/zinc/81/02/16/532810216.db2.gz PGPQQBJLEMRHGH-LBPRGKRZSA-N 1 0 382.917 2.379 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(C)Cc1csc(Br)c1)[N@H+](C)C1CC1 ZINC000287826426 532811051 /nfs/dbraw/zinc/81/10/51/532811051.db2.gz KODLTHPMRBSNRB-SNVBAGLBSA-N 1 0 388.331 2.068 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2csc(Br)c2)[C@H](C)C1 ZINC000287485468 532797551 /nfs/dbraw/zinc/79/75/51/532797551.db2.gz ZHBUBAAUYCDELQ-GHMZBOCLSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCc1ccccc1Br ZINC000550820897 532798255 /nfs/dbraw/zinc/79/82/55/532798255.db2.gz WUJHVJQVMFIQTD-OKILXGFUSA-N 1 0 396.329 2.444 20 0 GEADRO O=C(C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1)NC(=O)NCc1cccs1 ZINC000551119924 532798986 /nfs/dbraw/zinc/79/89/86/532798986.db2.gz LCFGFYAARZSDLT-UONOGXRCSA-N 1 0 383.539 2.060 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000551559030 532800394 /nfs/dbraw/zinc/80/03/94/532800394.db2.gz SNBOKDLJYSUDIF-HNNXBMFYSA-N 1 0 385.302 2.124 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000551942338 532802384 /nfs/dbraw/zinc/80/23/84/532802384.db2.gz DWPOESQRAXWIOZ-GFCCVEGCSA-N 1 0 383.290 2.148 20 0 GEADRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C(=O)NCC(F)(F)F ZINC000271026040 532803109 /nfs/dbraw/zinc/80/31/09/532803109.db2.gz AHLJSJMGROEARW-WFBYXXMGSA-N 1 0 377.794 2.268 20 0 GEADRO CCOc1cc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)ccc1OC(F)F ZINC000271174676 532803741 /nfs/dbraw/zinc/80/37/41/532803741.db2.gz KANZOSSVYSCATP-CYBMUJFWSA-N 1 0 378.441 2.187 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000287634394 532803967 /nfs/dbraw/zinc/80/39/67/532803967.db2.gz ZSAHEKKTWSNPKC-UHFFFAOYSA-N 1 0 377.819 2.379 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N[C@@H](C)C[N@@H+]3CCC[C@@H](C)C3)cnc2c1Cl ZINC000329942527 532813424 /nfs/dbraw/zinc/81/34/24/532813424.db2.gz VRHJTZCKUZWVDP-NEPJUHHUSA-N 1 0 385.921 2.090 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(F)ccc3Br)[C@H]2C1 ZINC000272399775 532815042 /nfs/dbraw/zinc/81/50/42/532815042.db2.gz ZFIJXXQHLMCPND-YGRLFVJLSA-N 1 0 384.249 2.079 20 0 GEADRO COc1cc(Br)c(CN2CCC([N@H+](C)CCCO)CC2)cc1O ZINC000272253542 532814274 /nfs/dbraw/zinc/81/42/74/532814274.db2.gz ISMDABIYCKWGPB-UHFFFAOYSA-N 1 0 387.318 2.442 20 0 GEADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000288007292 532814489 /nfs/dbraw/zinc/81/44/89/532814489.db2.gz BSPDNLIPIBHPTA-UONOGXRCSA-N 1 0 387.571 2.184 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000288009060 532814662 /nfs/dbraw/zinc/81/46/62/532814662.db2.gz HBGCGIXZXDAXAV-YHWZYXNKSA-N 1 0 398.301 2.132 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000330206063 532815720 /nfs/dbraw/zinc/81/57/20/532815720.db2.gz DWZKYGHZVNTYCV-NEPJUHHUSA-N 1 0 381.889 2.349 20 0 GEADRO Cc1cc(CS(=O)(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)on1 ZINC000330191200 532815775 /nfs/dbraw/zinc/81/57/75/532815775.db2.gz WVPQHUDBXWLESI-AWEZNQCLSA-N 1 0 384.527 2.032 20 0 GEADRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000330194467 532815961 /nfs/dbraw/zinc/81/59/61/532815961.db2.gz ZBJHIAHQAMVCGA-MRXNPFEDSA-N 1 0 386.587 2.182 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccsc1Br ZINC000288084288 532816664 /nfs/dbraw/zinc/81/66/64/532816664.db2.gz VZIGJODREWDELT-LBPRGKRZSA-N 1 0 388.331 2.117 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000272675906 532816725 /nfs/dbraw/zinc/81/67/25/532816725.db2.gz JVKLPYRQUGQDFK-CHWSQXEVSA-N 1 0 385.555 2.039 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCCCC1=O ZINC000414056136 532818312 /nfs/dbraw/zinc/81/83/12/532818312.db2.gz DEMFONSAPANOGG-AWEZNQCLSA-N 1 0 384.318 2.382 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cn2c(n1)CCCC2 ZINC000414053062 532818317 /nfs/dbraw/zinc/81/83/17/532818317.db2.gz AHVDFGXPCPUBPV-ZDUSSCGKSA-N 1 0 379.302 2.364 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000414093431 532818762 /nfs/dbraw/zinc/81/87/62/532818762.db2.gz MCQHPYGSZNQSPB-XJKSGUPXSA-N 1 0 390.281 2.394 20 0 GEADRO C[C@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000272933576 532819718 /nfs/dbraw/zinc/81/97/18/532819718.db2.gz LFLXRGHMCDPYBW-LRDDRELGSA-N 1 0 382.302 2.432 20 0 GEADRO COCCNC(=O)C1([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000414212461 532820290 /nfs/dbraw/zinc/82/02/90/532820290.db2.gz QCJMFQLTHFLLSD-LBPRGKRZSA-N 1 0 398.301 2.051 20 0 GEADRO O[C@@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)Cn1ccnn1 ZINC000414196766 532820409 /nfs/dbraw/zinc/82/04/09/532820409.db2.gz VHIXYIXTAQZZJB-IRXDYDNUSA-N 1 0 395.301 2.159 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000414050261 532818218 /nfs/dbraw/zinc/81/82/18/532818218.db2.gz HFDAIEJUUUXTML-JSGCOSHPSA-N 1 0 379.254 2.429 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000288205087 532820975 /nfs/dbraw/zinc/82/09/75/532820975.db2.gz PTABVTFTMSZICP-ZJUUUORDSA-N 1 0 376.404 2.186 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)s1 ZINC000414255021 532821151 /nfs/dbraw/zinc/82/11/51/532821151.db2.gz BYCKBOQWPBJDPL-QGZVFWFLSA-N 1 0 380.535 2.315 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)nn1 ZINC000414353268 532821979 /nfs/dbraw/zinc/82/19/79/532821979.db2.gz ROKIUTBLEMYIDI-AWEZNQCLSA-N 1 0 396.264 2.336 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000330607007 532822574 /nfs/dbraw/zinc/82/25/74/532822574.db2.gz LENZQVVNCPRADS-AGIUHOORSA-N 1 0 382.302 2.118 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000288275745 532822680 /nfs/dbraw/zinc/82/26/80/532822680.db2.gz IKGJUFJQYVDTDO-OAHLLOKOSA-N 1 0 384.322 2.304 20 0 GEADRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1(C)C ZINC000414368264 532823064 /nfs/dbraw/zinc/82/30/64/532823064.db2.gz SGNDNDOMWZKBCT-ZFWWWQNUSA-N 1 0 391.331 2.390 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)F)s1 ZINC000414390872 532824492 /nfs/dbraw/zinc/82/44/92/532824492.db2.gz JUAHVMOVQVSOGM-HIFRSBDPSA-N 1 0 375.462 2.479 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)F)s1 ZINC000414390874 532824530 /nfs/dbraw/zinc/82/45/30/532824530.db2.gz JUAHVMOVQVSOGM-UKRRQHHQSA-N 1 0 375.462 2.479 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1nc2ccc(Br)cn2n1 ZINC000414398796 532824906 /nfs/dbraw/zinc/82/49/06/532824906.db2.gz KDNXYRVGNMQBFZ-VXGBXAGGSA-N 1 0 380.290 2.485 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cncc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000330667909 532825058 /nfs/dbraw/zinc/82/50/58/532825058.db2.gz JRMGLFRRWBIGDT-NWDGAFQWSA-N 1 0 376.320 2.243 20 0 GEADRO CS[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000273549927 532826248 /nfs/dbraw/zinc/82/62/48/532826248.db2.gz VKDOTRJKYMJNSQ-CHWSQXEVSA-N 1 0 386.315 2.202 20 0 GEADRO COCC(COC)[NH+]1CCN(Cc2ccc(OC)cc2Br)CC1 ZINC000414472689 532830267 /nfs/dbraw/zinc/83/02/67/532830267.db2.gz OPAKPVYQGNGYPW-UHFFFAOYSA-N 1 0 387.318 2.237 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000414464994 532829479 /nfs/dbraw/zinc/82/94/79/532829479.db2.gz QPABUYUNHZCILF-UHFFFAOYSA-N 1 0 395.308 2.495 20 0 GEADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)CCc1ccccc1Br ZINC000414468409 532829554 /nfs/dbraw/zinc/82/95/54/532829554.db2.gz YBDXEGHNMVIKIW-UHFFFAOYSA-N 1 0 375.332 2.347 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000414466017 532829573 /nfs/dbraw/zinc/82/95/73/532829573.db2.gz SZAJCQZWDJVIGG-ZDUSSCGKSA-N 1 0 390.933 2.468 20 0 GEADRO COc1cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc(Br)c1O ZINC000414514491 532831447 /nfs/dbraw/zinc/83/14/47/532831447.db2.gz LXOAESZTMRCMHU-UHFFFAOYSA-N 1 0 380.304 2.466 20 0 GEADRO C[C@@H](C[NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000414501730 532831853 /nfs/dbraw/zinc/83/18/53/532831853.db2.gz FIBJKQJRSGTLCH-AWEZNQCLSA-N 1 0 381.519 2.387 20 0 GEADRO O=C(Nc1ccncc1I)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000273689303 532830929 /nfs/dbraw/zinc/83/09/29/532830929.db2.gz GUZDOWOZPJRBIL-STQMWFEESA-N 1 0 386.237 2.435 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000330983405 532831256 /nfs/dbraw/zinc/83/12/56/532831256.db2.gz FNYAGOQXPZEAGF-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NCC[N@@H+](C)C3CC3)nc12 ZINC000273775948 532834245 /nfs/dbraw/zinc/83/42/45/532834245.db2.gz YTDZNWHPEKDTBJ-UHFFFAOYSA-N 1 0 380.290 2.299 20 0 GEADRO C[C@]1(CO)CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000331173838 532834403 /nfs/dbraw/zinc/83/44/03/532834403.db2.gz PCJYEJDSGWQLAO-HUUCEWRRSA-N 1 0 376.316 2.364 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000331199630 532835664 /nfs/dbraw/zinc/83/56/64/532835664.db2.gz ZYCZTRRIMGJVEP-NWDGAFQWSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000288726469 532836134 /nfs/dbraw/zinc/83/61/34/532836134.db2.gz KWAZZOJEMLYVIX-CZUORRHYSA-N 1 0 394.313 2.122 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414928970 532836251 /nfs/dbraw/zinc/83/62/51/532836251.db2.gz NYKQCQNVABPNHH-GXTWGEPZSA-N 1 0 397.317 2.405 20 0 GEADRO CC(C)([NH3+])CNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414738730 532834947 /nfs/dbraw/zinc/83/49/47/532834947.db2.gz ZANPVOWCCIBLSD-UHFFFAOYSA-N 1 0 388.921 2.373 20 0 GEADRO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000331287972 532837078 /nfs/dbraw/zinc/83/70/78/532837078.db2.gz IAZKXTXLOODQIW-JTQLQIEISA-N 1 0 388.331 2.288 20 0 GEADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc(Br)s2)C1 ZINC000331295402 532837410 /nfs/dbraw/zinc/83/74/10/532837410.db2.gz NGAVSIJCZQUMHC-CMPLNLGQSA-N 1 0 388.331 2.288 20 0 GEADRO COc1ccc(I)c(NC(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000415077898 532837420 /nfs/dbraw/zinc/83/74/20/532837420.db2.gz UPYBHOCFPDBJQD-SNVBAGLBSA-N 1 0 389.237 2.421 20 0 GEADRO COc1ccc(I)c(NC(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000415067602 532837500 /nfs/dbraw/zinc/83/75/00/532837500.db2.gz CFOKJTRIGZLSKL-SECBINFHSA-N 1 0 375.210 2.112 20 0 GEADRO COc1ccc(I)c(NC(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000415079664 532837542 /nfs/dbraw/zinc/83/75/42/532837542.db2.gz XJAZGHFSNKKNCY-VIFPVBQESA-N 1 0 375.210 2.125 20 0 GEADRO C[NH2+]CCCN(C)Cc1cc(I)c(OC)c(OC)c1 ZINC000415124513 532837791 /nfs/dbraw/zinc/83/77/91/532837791.db2.gz CIEFOHPVPKAIPS-UHFFFAOYSA-N 1 0 378.254 2.350 20 0 GEADRO CN(CC[NH3+])C(=O)Nc1ccc(Br)c(I)c1 ZINC000415120329 532837959 /nfs/dbraw/zinc/83/79/59/532837959.db2.gz GOLNNRFOLGSXRH-UHFFFAOYSA-N 1 0 398.042 2.476 20 0 GEADRO Cc1ccc(NC[C@H]2CCCN(C(=O)C[NH3+])C2)cc1I ZINC000415122182 532838067 /nfs/dbraw/zinc/83/80/67/532838067.db2.gz NPEYDHUNBHNTKX-GFCCVEGCSA-N 1 0 387.265 2.209 20 0 GEADRO C[NH2+]CCNC(=O)Nc1ccc(Br)c(I)c1 ZINC000415129661 532838519 /nfs/dbraw/zinc/83/85/19/532838519.db2.gz VPDJTOBYNSPWBX-UHFFFAOYSA-N 1 0 398.042 2.395 20 0 GEADRO CCOCCOc1ccc(Br)cc1CN1CCC(O)(C[NH3+])CC1 ZINC000415136208 532838898 /nfs/dbraw/zinc/83/88/98/532838898.db2.gz CGKBKECLAQTFSY-UHFFFAOYSA-N 1 0 387.318 2.150 20 0 GEADRO Cc1nc(CNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)sc1Br ZINC000415252220 532840104 /nfs/dbraw/zinc/84/01/04/532840104.db2.gz GMZBGOWILIBHAL-MRVPVSSYSA-N 1 0 397.298 2.489 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCCCC1 ZINC000415279060 532840204 /nfs/dbraw/zinc/84/02/04/532840204.db2.gz ITXZOQXMNDTQMY-UHFFFAOYSA-N 1 0 390.228 2.444 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1sccc1Br)CCO2 ZINC000274059542 532840219 /nfs/dbraw/zinc/84/02/19/532840219.db2.gz IIDFELMLAZDWEI-MFKMUULPSA-N 1 0 380.329 2.337 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)ccc(F)c2Br)C1 ZINC000415278161 532840256 /nfs/dbraw/zinc/84/02/56/532840256.db2.gz GDSVDHVWHATBGN-NSHDSACASA-N 1 0 386.265 2.293 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000415274043 532840490 /nfs/dbraw/zinc/84/04/90/532840490.db2.gz WIJKTRLLVFUSAN-NSHDSACASA-N 1 0 382.251 2.067 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000415303738 532840722 /nfs/dbraw/zinc/84/07/22/532840722.db2.gz OTZJUKSXQWLYOY-UHFFFAOYSA-N 1 0 380.286 2.074 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)c(C)c2)n1 ZINC000415286870 532840839 /nfs/dbraw/zinc/84/08/39/532840839.db2.gz VTJYSSKXBLOXSL-UHFFFAOYSA-N 1 0 376.507 2.281 20 0 GEADRO O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415298722 532840872 /nfs/dbraw/zinc/84/08/72/532840872.db2.gz HFIZRCGOVCTYRV-JTQLQIEISA-N 1 0 394.191 2.275 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000415292744 532841029 /nfs/dbraw/zinc/84/10/29/532841029.db2.gz BSNUCPWZXBBQBD-SNVBAGLBSA-N 1 0 379.766 2.040 20 0 GEADRO O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)C(=O)N1CCC[NH2+]CC1 ZINC000415325823 532841224 /nfs/dbraw/zinc/84/12/24/532841224.db2.gz WECGFCOTCZTZGQ-UHFFFAOYSA-N 1 0 379.766 2.042 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c(C)c2)n1 ZINC000415320725 532841452 /nfs/dbraw/zinc/84/14/52/532841452.db2.gz CBSGDYCGTHTVJS-GFCCVEGCSA-N 1 0 376.507 2.328 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c1Br ZINC000415327299 532841524 /nfs/dbraw/zinc/84/15/24/532841524.db2.gz IDLIBQABDLKWEP-SNVBAGLBSA-N 1 0 388.693 2.465 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415329066 532841786 /nfs/dbraw/zinc/84/17/86/532841786.db2.gz CWVZFCZQPJDNLF-SSDOTTSWSA-N 1 0 378.629 2.000 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415340084 532841795 /nfs/dbraw/zinc/84/17/95/532841795.db2.gz ZOCSZUBYTCXENY-LBPRGKRZSA-N 1 0 398.301 2.291 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)CC1 ZINC000190420459 209113411 /nfs/dbraw/zinc/11/34/11/209113411.db2.gz VIXHCBVONBQLJR-QAPCUYQASA-N 1 0 398.573 2.220 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415340884 532842012 /nfs/dbraw/zinc/84/20/12/532842012.db2.gz GAQUZPUUQDHDBI-LLVKDONJSA-N 1 0 376.254 2.361 20 0 GEADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415352530 532842175 /nfs/dbraw/zinc/84/21/75/532842175.db2.gz PGVBTFFJVMOPTC-YGRLFVJLSA-N 1 0 382.258 2.451 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415348375 532842300 /nfs/dbraw/zinc/84/23/00/532842300.db2.gz VKGCCIXUBNJVTB-QMMMGPOBSA-N 1 0 394.191 2.227 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415359752 532842588 /nfs/dbraw/zinc/84/25/88/532842588.db2.gz KYTQIDWDVRXFDM-JTQLQIEISA-N 1 0 384.267 2.030 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CCCO1 ZINC000415353102 532842601 /nfs/dbraw/zinc/84/26/01/532842601.db2.gz LSSDAJZNGTYJMB-ZDUSSCGKSA-N 1 0 394.273 2.216 20 0 GEADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415376545 532842938 /nfs/dbraw/zinc/84/29/38/532842938.db2.gz CJUMLHPUKYXOPN-UHFFFAOYSA-N 1 0 393.079 2.004 20 0 GEADRO COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(Nc3cccc(C)n3)CC2)CC1 ZINC000359874256 206265397 /nfs/dbraw/zinc/26/53/97/206265397.db2.gz MSCYGWOLKOUIND-INIZCTEOSA-N 1 0 388.512 2.066 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000415366562 532843107 /nfs/dbraw/zinc/84/31/07/532843107.db2.gz WLZVAKGRXDCYDM-LLVKDONJSA-N 1 0 378.885 2.133 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415373453 532843183 /nfs/dbraw/zinc/84/31/83/532843183.db2.gz WJOJCLUUCDZRJI-UHFFFAOYSA-N 1 0 398.179 2.012 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2OC(C)C)C1 ZINC000415382018 532843314 /nfs/dbraw/zinc/84/33/14/532843314.db2.gz VQXGEYCSSFRDMI-CYBMUJFWSA-N 1 0 398.301 2.385 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCO1)c1ccc(F)cc1 ZINC000359925805 206270538 /nfs/dbraw/zinc/27/05/38/206270538.db2.gz CEODGZSPVOGNDV-IPMKNSEASA-N 1 0 391.487 2.105 20 0 GEADRO C[C@@]1([NH2+]CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CCO[C@H]1C1CC1 ZINC000359960497 206273378 /nfs/dbraw/zinc/27/33/78/206273378.db2.gz PHEBKKWRRZNTLU-RBBKRZOGSA-N 1 0 391.556 2.221 20 0 GEADRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccn(-c5ccccc5)n4)C[C@@H]3C2)no1 ZINC000359976183 206275377 /nfs/dbraw/zinc/27/53/77/206275377.db2.gz GMPLRMNTDSUIKR-CALCHBBNSA-N 1 0 378.480 2.382 20 0 GEADRO Cc1nccn1CCCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000359977781 206276196 /nfs/dbraw/zinc/27/61/96/206276196.db2.gz MDLMYBPQKTZLEG-IEBWSBKVSA-N 1 0 387.532 2.040 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H]2CCO[C@@H](CC(C)C)C2)CC1 ZINC000359993609 206277625 /nfs/dbraw/zinc/27/76/25/206277625.db2.gz LCYLVVIUIFFKQJ-ROUUACIJSA-N 1 0 398.573 2.363 20 0 GEADRO c1nc([C@H]2CCCO2)sc1C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000359997562 206278047 /nfs/dbraw/zinc/27/80/47/206278047.db2.gz VAFOCGFRFGRDPF-GDBMZVCRSA-N 1 0 399.524 2.439 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415384974 532843654 /nfs/dbraw/zinc/84/36/54/532843654.db2.gz ZNXONKWZFOSPNX-GFCCVEGCSA-N 1 0 391.269 2.146 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000415385128 532843702 /nfs/dbraw/zinc/84/37/02/532843702.db2.gz NOWPXTYSGJWIMI-QMMMGPOBSA-N 1 0 390.228 2.252 20 0 GEADRO COC[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000288986674 532843901 /nfs/dbraw/zinc/84/39/01/532843901.db2.gz ZQBXTXNFEWVZAA-KRWDZBQOSA-N 1 0 384.885 2.344 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000415394948 532843967 /nfs/dbraw/zinc/84/39/67/532843967.db2.gz DPVYRRYERKRDRN-UHFFFAOYSA-N 1 0 388.693 2.499 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000415398785 532844027 /nfs/dbraw/zinc/84/40/27/532844027.db2.gz LIEOPYBURXBREQ-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO NC(=O)[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccc(Br)c1 ZINC000274192119 532844094 /nfs/dbraw/zinc/84/40/94/532844094.db2.gz FITHCRUETWVTPW-HNNXBMFYSA-N 1 0 382.302 2.391 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000331766376 532844233 /nfs/dbraw/zinc/84/42/33/532844233.db2.gz CGKIFJIGVZOHLM-ZDUSSCGKSA-N 1 0 389.315 2.050 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(I)cc1 ZINC000015042651 206296094 /nfs/dbraw/zinc/29/60/94/206296094.db2.gz ODEFRJWKQYHWSR-LBPRGKRZSA-N 1 0 394.278 2.054 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(I)cc1 ZINC000015042648 206296136 /nfs/dbraw/zinc/29/61/36/206296136.db2.gz ODEFRJWKQYHWSR-GFCCVEGCSA-N 1 0 394.278 2.054 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000415406295 532844348 /nfs/dbraw/zinc/84/43/48/532844348.db2.gz XGIBCNOLZJCCDT-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2F)CC1 ZINC000415406798 532844390 /nfs/dbraw/zinc/84/43/90/532844390.db2.gz XNJQMNWVRGPCTI-UHFFFAOYSA-N 1 0 386.265 2.293 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415401815 532844479 /nfs/dbraw/zinc/84/44/79/532844479.db2.gz XYLUUFCWHCADIW-LLVKDONJSA-N 1 0 391.269 2.004 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000415408447 532844590 /nfs/dbraw/zinc/84/45/90/532844590.db2.gz RLHJTGRLRADLTA-SNVBAGLBSA-N 1 0 390.228 2.266 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415427650 532844919 /nfs/dbraw/zinc/84/49/19/532844919.db2.gz NJPYXLAJACIWMX-QMMMGPOBSA-N 1 0 378.217 2.155 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415427612 532845110 /nfs/dbraw/zinc/84/51/10/532845110.db2.gz NHSUSCVLCVNXML-VIFPVBQESA-N 1 0 378.217 2.155 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1F ZINC000415439913 532845261 /nfs/dbraw/zinc/84/52/61/532845261.db2.gz MDOIAPFUOIAFEV-QWRGUYRKSA-N 1 0 386.265 2.421 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000415431718 532845402 /nfs/dbraw/zinc/84/54/02/532845402.db2.gz SQTKNGOWVMCUAR-VIFPVBQESA-N 1 0 390.267 2.208 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415433762 532845486 /nfs/dbraw/zinc/84/54/86/532845486.db2.gz VVDOXJWRSHESKX-CYBMUJFWSA-N 1 0 382.302 2.366 20 0 GEADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274231174 532845609 /nfs/dbraw/zinc/84/56/09/532845609.db2.gz KTFIQIFTVVKMQD-QGZVFWFLSA-N 1 0 375.270 2.460 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415445852 532845780 /nfs/dbraw/zinc/84/57/80/532845780.db2.gz SSXXBAMKLLMZGJ-RKDXNWHRSA-N 1 0 390.228 2.252 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415446534 532845886 /nfs/dbraw/zinc/84/58/86/532845886.db2.gz PLYWYUPXGJMGRS-FZMZJTMJSA-N 1 0 394.313 2.462 20 0 GEADRO C[C@H](CNC(=O)c1nc2ccc(Br)cn2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000331865672 532846174 /nfs/dbraw/zinc/84/61/74/532846174.db2.gz BXWQWDCUFSJOPL-VXGBXAGGSA-N 1 0 380.290 2.342 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415447351 532846098 /nfs/dbraw/zinc/84/60/98/532846098.db2.gz QDRVOCVGBIDGNZ-NEPJUHHUSA-N 1 0 398.301 2.372 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC[C@@H]1[NH3+] ZINC000415465578 532846645 /nfs/dbraw/zinc/84/66/45/532846645.db2.gz SBMIZPOYBUCWOF-MFKMUULPSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000331971906 532846899 /nfs/dbraw/zinc/84/68/99/532846899.db2.gz UNKRIZOBJTZDIS-DAXOMENPSA-N 1 0 394.313 2.308 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415490507 532847513 /nfs/dbraw/zinc/84/75/13/532847513.db2.gz JMUCNPCIOUPNAZ-LLVKDONJSA-N 1 0 375.803 2.133 20 0 GEADRO Cc1cc(Br)c(NC(=O)NCCN2CC[NH2+]CC2)cc1Cl ZINC000415483120 532847109 /nfs/dbraw/zinc/84/71/09/532847109.db2.gz YBLFFWLHNRNWKS-UHFFFAOYSA-N 1 0 375.698 2.438 20 0 GEADRO [NH3+]C1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC1 ZINC000415493511 532847269 /nfs/dbraw/zinc/84/72/69/532847269.db2.gz BZJNVZWPOWQYLF-UHFFFAOYSA-N 1 0 382.287 2.923 20 0 GEADRO COc1cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c(SC)cc1OC ZINC000289093419 532847289 /nfs/dbraw/zinc/84/72/89/532847289.db2.gz BQFUQVBVAMGGGQ-UHFFFAOYSA-N 1 0 388.555 2.187 20 0 GEADRO [NH3+]C[C@H](NC(=O)Nc1nnc(-c2cccc(Br)c2)s1)C1CC1 ZINC000415501276 532847899 /nfs/dbraw/zinc/84/78/99/532847899.db2.gz OCAHOHOYAUVGKJ-NSHDSACASA-N 1 0 382.287 2.826 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415501299 532847903 /nfs/dbraw/zinc/84/79/03/532847903.db2.gz ODSMSOYLVGXWFR-SSDOTTSWSA-N 1 0 388.266 2.918 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(C)c(Br)cn1)C1CC[NH2+]CC1 ZINC000415504616 532848007 /nfs/dbraw/zinc/84/80/07/532848007.db2.gz GPWLMJJEMYZTPI-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415509709 532848343 /nfs/dbraw/zinc/84/83/43/532848343.db2.gz IGNJCZGDBKRGPG-SSDOTTSWSA-N 1 0 382.180 2.117 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415527711 532848705 /nfs/dbraw/zinc/84/87/05/532848705.db2.gz RMHDNVBDRHDYDQ-QWRGUYRKSA-N 1 0 380.286 2.072 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415529462 532848735 /nfs/dbraw/zinc/84/87/35/532848735.db2.gz STIXMZIAUFBTAI-GHMZBOCLSA-N 1 0 391.269 2.132 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)C1CC1 ZINC000415531273 532848737 /nfs/dbraw/zinc/84/87/37/532848737.db2.gz DSMFAIPOTRBWDG-SNVBAGLBSA-N 1 0 379.766 2.073 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415525146 532848898 /nfs/dbraw/zinc/84/88/98/532848898.db2.gz OZONEUPTBRINHD-HTQZYQBOSA-N 1 0 392.656 2.376 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415547402 532849377 /nfs/dbraw/zinc/84/93/77/532849377.db2.gz PAUQOPZGMLEFED-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000289192340 532849396 /nfs/dbraw/zinc/84/93/96/532849396.db2.gz UFMWOOXXJOROJK-YPMHNXCESA-N 1 0 386.279 2.254 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415536033 532849479 /nfs/dbraw/zinc/84/94/79/532849479.db2.gz DZDPCZCRAQAOBM-YUMQZZPRSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000415552405 532849976 /nfs/dbraw/zinc/84/99/76/532849976.db2.gz FPFUZWRTPQEUQP-YUMQZZPRSA-N 1 0 392.656 2.389 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415549910 532850061 /nfs/dbraw/zinc/85/00/61/532850061.db2.gz IDGAJIZYTSBWJL-ZETCQYMHSA-N 1 0 382.180 2.260 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415564122 532850250 /nfs/dbraw/zinc/85/02/50/532850250.db2.gz BVIWECBENGMPQD-KRWDZBQOSA-N 1 0 398.301 2.211 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1c(F)cc(F)cc1Br ZINC000415560923 532850261 /nfs/dbraw/zinc/85/02/61/532850261.db2.gz VULHQHABYVSFHA-UHFFFAOYSA-N 1 0 377.233 2.144 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415569356 532850271 /nfs/dbraw/zinc/85/02/71/532850271.db2.gz KCXMTLCJPYEEKJ-INIZCTEOSA-N 1 0 386.265 2.341 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[NH2+]CC1 ZINC000415569005 532850466 /nfs/dbraw/zinc/85/04/66/532850466.db2.gz JGIAODJKKUPYTK-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1Br ZINC000274446859 532850750 /nfs/dbraw/zinc/85/07/50/532850750.db2.gz ULRXFZITZUJEMK-FZMZJTMJSA-N 1 0 380.286 2.295 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415561107 532850337 /nfs/dbraw/zinc/85/03/37/532850337.db2.gz GGALLICZNSCSNY-NWDGAFQWSA-N 1 0 398.301 2.371 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCCCC[NH3+] ZINC000415570668 532850361 /nfs/dbraw/zinc/85/03/61/532850361.db2.gz QSCRLZHPPUWBGF-UHFFFAOYSA-N 1 0 392.681 2.295 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@H](C)C[NH3+])C1 ZINC000274477184 532851016 /nfs/dbraw/zinc/85/10/16/532851016.db2.gz YUXAJZLXFBJTLS-OLZOCXBDSA-N 1 0 382.302 2.073 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000415576868 532850823 /nfs/dbraw/zinc/85/08/23/532850823.db2.gz YMPGABVNLSVHLP-VXGBXAGGSA-N 1 0 398.301 2.384 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ncc(C(F)(F)F)s1 ZINC000415576832 532850967 /nfs/dbraw/zinc/85/09/67/532850967.db2.gz WRQUCLOEGYURAJ-ZETCQYMHSA-N 1 0 391.341 2.120 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415620227 532851176 /nfs/dbraw/zinc/85/11/76/532851176.db2.gz IKBYREUZRZQYIO-SKDRFNHKSA-N 1 0 375.416 2.236 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000415641952 532851629 /nfs/dbraw/zinc/85/16/29/532851629.db2.gz UZUUIFMSIFRGGA-VXGBXAGGSA-N 1 0 379.262 2.421 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415638741 532851651 /nfs/dbraw/zinc/85/16/51/532851651.db2.gz OSPCWPISPGFYIM-MNOVXSKESA-N 1 0 379.262 2.231 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C[C@@]1(C)C[NH3+] ZINC000415642777 532851679 /nfs/dbraw/zinc/85/16/79/532851679.db2.gz VTYMHQMRNSLOKT-BDJLRTHQSA-N 1 0 393.289 2.478 20 0 GEADRO COc1cc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000415633408 532851694 /nfs/dbraw/zinc/85/16/94/532851694.db2.gz VMBFBHGAKWLTMO-ZDUSSCGKSA-N 1 0 380.798 2.306 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415615112 532851469 /nfs/dbraw/zinc/85/14/69/532851469.db2.gz OERFIPSGSKKNPW-HNNXBMFYSA-N 1 0 393.329 2.449 20 0 GEADRO [NH3+]C1CCC(NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000415637786 532851980 /nfs/dbraw/zinc/85/19/80/532851980.db2.gz MZEXAOIGJTXXOE-UHFFFAOYSA-N 1 0 379.262 2.421 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000415641950 532851791 /nfs/dbraw/zinc/85/17/91/532851791.db2.gz UZUUIFMSIFRGGA-NWDGAFQWSA-N 1 0 379.262 2.421 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332347323 532852175 /nfs/dbraw/zinc/85/21/75/532852175.db2.gz UEKWDLLEFRSXCM-NXEZZACHSA-N 1 0 386.677 2.109 20 0 GEADRO O=C(/C=C/c1ccc(I)o1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289335619 532852197 /nfs/dbraw/zinc/85/21/97/532852197.db2.gz WFPOFFGFHTVNJX-UJAVWCLSSA-N 1 0 386.233 2.500 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415647459 532852234 /nfs/dbraw/zinc/85/22/34/532852234.db2.gz AKTXWOJZHHRZMN-MFKMUULPSA-N 1 0 391.269 2.050 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000415656760 532852353 /nfs/dbraw/zinc/85/23/53/532852353.db2.gz LMXVJFJKNXJGPU-NHYWBVRUSA-N 1 0 398.301 2.289 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000415676364 532853120 /nfs/dbraw/zinc/85/31/20/532853120.db2.gz MGHMUOJTHIBMHM-IAQYHMDHSA-N 1 0 398.301 2.432 20 0 GEADRO O=C(CCSc1ccc(Br)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289365966 532853306 /nfs/dbraw/zinc/85/33/06/532853306.db2.gz ZRVXPZFQFUYQKZ-OAHLLOKOSA-N 1 0 398.370 2.437 20 0 GEADRO COCC1(CNC(=O)C(=O)Nc2ccc(SC)c(Cl)c2)CC[NH2+]CC1 ZINC000415702361 532853882 /nfs/dbraw/zinc/85/38/82/532853882.db2.gz GTUGDVIZHNOSTK-UHFFFAOYSA-N 1 0 385.917 2.133 20 0 GEADRO Cc1cc(I)cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000415716874 532854648 /nfs/dbraw/zinc/85/46/48/532854648.db2.gz XKBJCSOQXIYGQI-ZDUSSCGKSA-N 1 0 389.237 2.100 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415708203 532854283 /nfs/dbraw/zinc/85/42/83/532854283.db2.gz OLFDNGSWXKUPIT-MRVPVSSYSA-N 1 0 375.376 2.820 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000332382055 532854327 /nfs/dbraw/zinc/85/43/27/532854327.db2.gz VJACEPMHXLDNOY-GMXVVIOVSA-N 1 0 398.276 2.421 20 0 GEADRO Cc1cc(Br)cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000332408037 532854836 /nfs/dbraw/zinc/85/48/36/532854836.db2.gz PYCNIDQCRGDNOT-INIZCTEOSA-N 1 0 394.313 2.182 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CCO1 ZINC000274726414 532854988 /nfs/dbraw/zinc/85/49/88/532854988.db2.gz BYFRBCUFJDRKMD-GFCCVEGCSA-N 1 0 379.869 2.454 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000274737966 532855360 /nfs/dbraw/zinc/85/53/60/532855360.db2.gz CBKBMBKWIBERNY-UHFFFAOYSA-N 1 0 388.961 2.459 20 0 GEADRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415749831 532855428 /nfs/dbraw/zinc/85/54/28/532855428.db2.gz SLADZINBSYOXJQ-NOZJJQNGSA-N 1 0 382.251 2.066 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415738149 532855154 /nfs/dbraw/zinc/85/51/54/532855154.db2.gz DSOYTDVIBYKIIZ-SNVBAGLBSA-N 1 0 383.290 2.294 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c1C(F)F ZINC000332429690 532855148 /nfs/dbraw/zinc/85/51/48/532855148.db2.gz WFCDPCYUYFKCQY-UHFFFAOYSA-N 1 0 376.473 2.305 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415742766 532855598 /nfs/dbraw/zinc/85/55/98/532855598.db2.gz BUVSDIDVABGZRX-LBPRGKRZSA-N 1 0 398.276 2.375 20 0 GEADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415741360 532855631 /nfs/dbraw/zinc/85/56/31/532855631.db2.gz IIDPJIFWOZIUDU-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415761683 532855981 /nfs/dbraw/zinc/85/59/81/532855981.db2.gz ULRUVFMUAUMFIB-NWDGAFQWSA-N 1 0 378.274 2.836 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)CCC[NH3+])cc1Cl ZINC000415755962 532856141 /nfs/dbraw/zinc/85/61/41/532856141.db2.gz CSRJJNXEFUJUBK-JTQLQIEISA-N 1 0 392.283 2.201 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415749836 532856146 /nfs/dbraw/zinc/85/61/46/532856146.db2.gz SLADZINBSYOXJQ-ZANVPECISA-N 1 0 382.251 2.066 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)n2)s1 ZINC000415766792 532856339 /nfs/dbraw/zinc/85/63/39/532856339.db2.gz MHLPOOMZKAWSOX-NEPJUHHUSA-N 1 0 376.507 2.329 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2s1 ZINC000415765971 532856533 /nfs/dbraw/zinc/85/65/33/532856533.db2.gz LCTUKMDAHIEABN-ZYHUDNBSSA-N 1 0 378.885 2.407 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289491755 532856772 /nfs/dbraw/zinc/85/67/72/532856772.db2.gz ADHAVNOIKXLWKS-FGPRAXNPSA-N 1 0 393.281 2.301 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc2s1 ZINC000415784215 532857250 /nfs/dbraw/zinc/85/72/50/532857250.db2.gz IYJHKOQEODIXJW-QMMMGPOBSA-N 1 0 376.816 2.295 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000415779984 532857038 /nfs/dbraw/zinc/85/70/38/532857038.db2.gz ANAMLWGFSBRDCL-HZNSRWLBSA-N 1 0 384.249 2.159 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br)[C@H](C)[NH3+] ZINC000415775935 532857101 /nfs/dbraw/zinc/85/71/01/532857101.db2.gz ACYFHHGNVBKTBS-NKWVEPMBSA-N 1 0 382.180 2.258 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415794891 532857622 /nfs/dbraw/zinc/85/76/22/532857622.db2.gz XVEBCEHMAUJZDF-JTQLQIEISA-N 1 0 379.258 2.179 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415797686 532857688 /nfs/dbraw/zinc/85/76/88/532857688.db2.gz ALEQCBSAGBNMJX-NWDGAFQWSA-N 1 0 398.301 2.338 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415820169 532858704 /nfs/dbraw/zinc/85/87/04/532858704.db2.gz AJVOWCOPIFATSV-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415822157 532858813 /nfs/dbraw/zinc/85/88/13/532858813.db2.gz KMERSJQQWIJDJC-ZDUSSCGKSA-N 1 0 398.301 2.338 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[NH2+]1 ZINC000415817841 532858906 /nfs/dbraw/zinc/85/89/06/532858906.db2.gz RNHAINUZMUWITK-UHFFFAOYSA-N 1 0 392.656 2.391 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415821778 532858926 /nfs/dbraw/zinc/85/89/26/532858926.db2.gz OCEOMBBAVJWYCM-NWDGAFQWSA-N 1 0 398.276 2.375 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)CC1 ZINC000332617286 532858462 /nfs/dbraw/zinc/85/84/62/532858462.db2.gz QZKNIQQMURKMMU-LLVKDONJSA-N 1 0 384.307 2.464 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)CC1 ZINC000332617287 532858563 /nfs/dbraw/zinc/85/85/63/532858563.db2.gz QZKNIQQMURKMMU-NSHDSACASA-N 1 0 384.307 2.464 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415822156 532858671 /nfs/dbraw/zinc/85/86/71/532858671.db2.gz KMERSJQQWIJDJC-CYBMUJFWSA-N 1 0 398.301 2.338 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415835112 532859358 /nfs/dbraw/zinc/85/93/58/532859358.db2.gz LGZLYUUGVFSNEP-WCQYABFASA-N 1 0 398.301 2.418 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000415829183 532859413 /nfs/dbraw/zinc/85/94/13/532859413.db2.gz GPYOUGMMSXKUHZ-MRVPVSSYSA-N 1 0 380.659 2.080 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)C[C@H]1[NH3+] ZINC000415827672 532859415 /nfs/dbraw/zinc/85/94/15/532859415.db2.gz GMMYLBAOMAJRSP-GMSGAONNSA-N 1 0 394.191 2.212 20 0 GEADRO O=c1cc2c(n[nH]1)CCN(Cc1cn(-c3ccc(Cl)cc3Cl)nn1)C2 ZINC000274896519 532859250 /nfs/dbraw/zinc/85/92/50/532859250.db2.gz GAQBCHNHGMHFAM-UHFFFAOYSA-N 1 0 377.235 2.216 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415840501 532859922 /nfs/dbraw/zinc/85/99/22/532859922.db2.gz MAXSRSOPSHMGMP-QLJPJBMISA-N 1 0 386.265 2.278 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c2cccc(Cl)c21 ZINC000415836310 532859948 /nfs/dbraw/zinc/85/99/48/532859948.db2.gz MOUQWAYDXVGUOG-LLVKDONJSA-N 1 0 377.794 2.360 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000289613401 532860120 /nfs/dbraw/zinc/86/01/20/532860120.db2.gz FFFJEVLOLJEJPJ-NSHDSACASA-N 1 0 383.105 2.488 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415846498 532860224 /nfs/dbraw/zinc/86/02/24/532860224.db2.gz VTOWBZXCAKEKEC-PWSUYJOCSA-N 1 0 384.274 2.030 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C[C@@H]1C[NH3+] ZINC000415844543 532860285 /nfs/dbraw/zinc/86/02/85/532860285.db2.gz JCGQWCZKOSRBCV-UWVGGRQHSA-N 1 0 388.693 2.484 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(F)cc1Br ZINC000415854336 532860559 /nfs/dbraw/zinc/86/05/59/532860559.db2.gz WFBNMJNERMYSKI-KOLCDFICSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1F ZINC000415852170 532860648 /nfs/dbraw/zinc/86/06/48/532860648.db2.gz QHSVGXPEWJJMTN-GXSJLCMTSA-N 1 0 386.265 2.278 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1Cl ZINC000415847491 532860406 /nfs/dbraw/zinc/86/04/06/532860406.db2.gz XEUHWDXYUKSHPP-SECBINFHSA-N 1 0 388.173 2.336 20 0 GEADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc(O)ccc2Br)NC(=O)NC1=O ZINC000289605561 532860450 /nfs/dbraw/zinc/86/04/50/532860450.db2.gz KZSFNWVDYIWITP-BDJLRTHQSA-N 1 0 382.258 2.107 20 0 GEADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415862681 532861023 /nfs/dbraw/zinc/86/10/23/532861023.db2.gz FWVFQDNJSQMTHX-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415863167 532860936 /nfs/dbraw/zinc/86/09/36/532860936.db2.gz GIEHSKPCHQSSSB-ZJUUUORDSA-N 1 0 375.778 2.365 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415867239 532860976 /nfs/dbraw/zinc/86/09/76/532860976.db2.gz KRSJEUDGHZERBA-UHFFFAOYSA-N 1 0 391.269 2.194 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415856747 532861086 /nfs/dbraw/zinc/86/10/86/532861086.db2.gz FZXAFCYJMSWSCU-UHFFFAOYSA-N 1 0 391.269 2.194 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415860490 532861163 /nfs/dbraw/zinc/86/11/63/532861163.db2.gz CGXWZNRHQJOFMD-UHFFFAOYSA-N 1 0 379.766 2.435 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415857248 532861196 /nfs/dbraw/zinc/86/11/96/532861196.db2.gz RBOLPUJTIPZUSL-NEPJUHHUSA-N 1 0 398.276 2.375 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1ccc(Cl)cc1Br ZINC000415878843 532861496 /nfs/dbraw/zinc/86/14/96/532861496.db2.gz OHEFNKUBUSOPPM-UHFFFAOYSA-N 1 0 386.677 2.467 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415873291 532861546 /nfs/dbraw/zinc/86/15/46/532861546.db2.gz UHQWOVVPCIGWFJ-HBNTYKKESA-N 1 0 384.249 2.031 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415877883 532861577 /nfs/dbraw/zinc/86/15/77/532861577.db2.gz LORPGWFLVVOMPR-MBNYWOFBSA-N 1 0 380.286 2.200 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415878115 532861737 /nfs/dbraw/zinc/86/17/37/532861737.db2.gz LYSWWIVNWBLJHZ-GRYCIOLGSA-N 1 0 398.276 2.339 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415882884 532862045 /nfs/dbraw/zinc/86/20/45/532862045.db2.gz XMPMVBOKSJTEKT-OUAUKWLOSA-N 1 0 386.279 2.445 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)n2)s1 ZINC000415900657 532862114 /nfs/dbraw/zinc/86/21/14/532862114.db2.gz WKWUHPHSAXXIPT-VXGBXAGGSA-N 1 0 376.507 2.186 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)cc1Br ZINC000415889722 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Cc1nn(C)c(C)c1[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C(F)(F)F ZINC000416015008 532863133 /nfs/dbraw/zinc/86/31/33/532863133.db2.gz VVASYIWZROWDQW-PSASIEDQSA-N 1 0 375.317 2.219 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)C(F)(F)F ZINC000416049902 532863899 /nfs/dbraw/zinc/86/38/99/532863899.db2.gz RJTIEVSLDPEPFF-OUCADQQQSA-N 1 0 377.432 2.476 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1=O ZINC000333144619 532864783 /nfs/dbraw/zinc/86/47/83/532864783.db2.gz LMTFUJRJMZLNJS-ZDUSSCGKSA-N 1 0 383.290 2.144 20 0 GEADRO COc1ccc(Br)cc1C1(C(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000416158449 532865632 /nfs/dbraw/zinc/86/56/32/532865632.db2.gz FYXYJOHNNQXUHE-UHFFFAOYSA-N 1 0 397.313 2.062 20 0 GEADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000333193293 532865729 /nfs/dbraw/zinc/86/57/29/532865729.db2.gz VPWWRVRXOBTLOZ-MNOVXSKESA-N 1 0 377.436 3.029 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416162716 532865826 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Cn1cc(CCC[NH2+]Cc2cn(-c3ccccc3Br)nn2)cn1 ZINC000289908000 532867810 /nfs/dbraw/zinc/86/78/10/532867810.db2.gz NVCALYLYXHBBJW-UHFFFAOYSA-N 1 0 375.274 2.486 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccc(Br)cc4c3O)[C@H]2C1 ZINC000333354817 532867557 /nfs/dbraw/zinc/86/75/57/532867557.db2.gz SGNURMVYWWRHIL-BZNIZROVSA-N 1 0 390.281 2.457 20 0 GEADRO C[C@H]1C[C@@H](S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000333472794 532869050 /nfs/dbraw/zinc/86/90/50/532869050.db2.gz WLGFSZCIBKWQLC-HOTGVXAUSA-N 1 0 376.588 2.225 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000289944053 532869117 /nfs/dbraw/zinc/86/91/17/532869117.db2.gz BGTHSACVQQBXSF-LBPRGKRZSA-N 1 0 380.491 2.453 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC1([NH+](C)C)CC1 ZINC000416291078 532869192 /nfs/dbraw/zinc/86/91/92/532869192.db2.gz NWHFNDQQMDYEDL-HNNXBMFYSA-N 1 0 396.329 2.414 20 0 GEADRO O=C(c1cc(F)ccc1Br)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333482596 532869470 /nfs/dbraw/zinc/86/94/70/532869470.db2.gz HNIAQAYNALGOTC-ZDUSSCGKSA-N 1 0 398.276 2.015 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)[C@@H]([NH3+])CCC(=O)OC)cc1Cl ZINC000289985008 532869491 /nfs/dbraw/zinc/86/94/91/532869491.db2.gz QTABWGSIZTZWCC-LBPRGKRZSA-N 1 0 379.240 2.238 20 0 GEADRO CN(C(=O)CNC(=O)c1ccc(Br)o1)C(C)(C)C[NH+]1CCCC1 ZINC000416334500 532870876 /nfs/dbraw/zinc/87/08/76/532870876.db2.gz QFXUWZICDUZWLK-UHFFFAOYSA-N 1 0 386.290 2.105 20 0 GEADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000290021793 532870762 /nfs/dbraw/zinc/87/07/62/532870762.db2.gz RBYOCKYYBONRNI-WDEREUQCSA-N 1 0 380.388 2.315 20 0 GEADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416363301 532871474 /nfs/dbraw/zinc/87/14/74/532871474.db2.gz NPYGXFYHAQMCSD-UHFFFAOYSA-N 1 0 375.922 2.018 20 0 GEADRO Cc1cc(Br)cc(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000333689412 532871988 /nfs/dbraw/zinc/87/19/88/532871988.db2.gz CIWVTNATHWROMZ-INIZCTEOSA-N 1 0 394.313 2.184 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NCCCC[NH+]2CCC(C)CC2)c1C(F)F ZINC000416372203 532872384 /nfs/dbraw/zinc/87/23/84/532872384.db2.gz MEKFZNOHFLASEQ-UHFFFAOYSA-N 1 0 378.489 2.457 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333720804 532872472 /nfs/dbraw/zinc/87/24/72/532872472.db2.gz GOHIAGCQZKLENJ-ISTVAULSSA-N 1 0 384.249 2.273 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000333719171 532872650 /nfs/dbraw/zinc/87/26/50/532872650.db2.gz UGOOCHBKVDCTLY-GDBMZVCRSA-N 1 0 378.416 2.011 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000333872523 532874653 /nfs/dbraw/zinc/87/46/53/532874653.db2.gz SDPDPHUIJBLISZ-GXTWGEPZSA-N 1 0 386.901 2.264 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCc2c(Br)ccc(F)c2C1 ZINC000333859937 532874104 /nfs/dbraw/zinc/87/41/04/532874104.db2.gz RUGIWUFDJWSRIZ-LLVKDONJSA-N 1 0 386.265 2.034 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)ncc1Cl ZINC000275411445 532875810 /nfs/dbraw/zinc/87/58/10/532875810.db2.gz GPEYQUYYFYNWJL-SNVBAGLBSA-N 1 0 390.709 2.415 20 0 GEADRO COCCc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000275435630 532876226 /nfs/dbraw/zinc/87/62/26/532876226.db2.gz FZCLDMUHUSBIQO-ROUUACIJSA-N 1 0 384.567 2.076 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000416404420 532876692 /nfs/dbraw/zinc/87/66/92/532876692.db2.gz ADRFUOYROGWLOD-RYUDHWBXSA-N 1 0 376.906 2.460 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)NCc2cc(OC)c(OC)cc2Br)C1 ZINC000417446465 532879951 /nfs/dbraw/zinc/87/99/51/532879951.db2.gz LMDKUPVBTWQMTH-LBPRGKRZSA-N 1 0 386.290 2.360 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000417186320 532878934 /nfs/dbraw/zinc/87/89/34/532878934.db2.gz VGBVLXRNSMYJED-HNNXBMFYSA-N 1 0 382.302 2.240 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000417186321 532879058 /nfs/dbraw/zinc/87/90/58/532879058.db2.gz VGBVLXRNSMYJED-OAHLLOKOSA-N 1 0 382.302 2.240 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000417444509 532879812 /nfs/dbraw/zinc/87/98/12/532879812.db2.gz CXEBZBROPMUNIY-QWRGUYRKSA-N 1 0 386.290 2.345 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccc(I)s1 ZINC000417443641 532879831 /nfs/dbraw/zinc/87/98/31/532879831.db2.gz ZCFPZNXASOHWCQ-ZJUUUORDSA-N 1 0 393.294 2.274 20 0 GEADRO O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418919874 532881726 /nfs/dbraw/zinc/88/17/26/532881726.db2.gz BDJAJIUGLDZTCP-JKSUJKDBSA-N 1 0 394.313 2.275 20 0 GEADRO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419530488 532881983 /nfs/dbraw/zinc/88/19/83/532881983.db2.gz ZSVCYUYIITWESY-VWYCJHECSA-N 1 0 380.436 2.319 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000419568979 532882037 /nfs/dbraw/zinc/88/20/37/532882037.db2.gz LUFQXUHYYVCYNT-WNCDQNTKSA-N 1 0 384.307 2.236 20 0 GEADRO CC(C)(CNC(=O)C(=O)NC1CCC([NH3+])CC1)c1cccc(Br)c1 ZINC000419526530 532882144 /nfs/dbraw/zinc/88/21/44/532882144.db2.gz TZZQNONGPRZSOI-UHFFFAOYSA-N 1 0 396.329 2.229 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1Br ZINC000419722121 532882823 /nfs/dbraw/zinc/88/28/23/532882823.db2.gz DHTWLFZFFOPCNM-GHMZBOCLSA-N 1 0 399.257 2.346 20 0 GEADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2cc(Br)cs2)cc1 ZINC000419724896 532882851 /nfs/dbraw/zinc/88/28/51/532882851.db2.gz QRKJIFBIXBKHES-SNVBAGLBSA-N 1 0 396.310 2.463 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000420453664 532883910 /nfs/dbraw/zinc/88/39/10/532883910.db2.gz DCWQVYNGNDIPND-CYBMUJFWSA-N 1 0 382.507 2.354 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1)C1CC1 ZINC000419870830 532883111 /nfs/dbraw/zinc/88/31/11/532883111.db2.gz SMRMOGGXZYHRPS-INIZCTEOSA-N 1 0 394.313 2.009 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]C1 ZINC000419878316 532883280 /nfs/dbraw/zinc/88/32/80/532883280.db2.gz GDSFFWPXELNLTP-RYUDHWBXSA-N 1 0 384.307 2.382 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)C1CC1 ZINC000419875965 532883303 /nfs/dbraw/zinc/88/33/03/532883303.db2.gz WZIGCYTVSYPCIE-GJZGRUSLSA-N 1 0 398.276 2.105 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420455927 532883469 /nfs/dbraw/zinc/88/34/69/532883469.db2.gz GRQRYRHMWARVNM-YMTOWFKASA-N 1 0 395.294 2.202 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420451485 532883524 /nfs/dbraw/zinc/88/35/24/532883524.db2.gz BJAXDHWBWUVBJD-AWEZNQCLSA-N 1 0 390.347 2.182 20 0 GEADRO [NH3+]CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)C(F)F ZINC000420461163 532883777 /nfs/dbraw/zinc/88/37/77/532883777.db2.gz LYTASUASKHOTPA-ZYHUDNBSSA-N 1 0 398.859 2.016 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)c(OC)cc1Br ZINC000420452439 532883802 /nfs/dbraw/zinc/88/38/02/532883802.db2.gz SKQMNJOTXNMFJG-ZDUSSCGKSA-N 1 0 395.319 2.118 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Br)c(F)cc1OC ZINC000417580199 532880199 /nfs/dbraw/zinc/88/01/99/532880199.db2.gz DRPSWHLJRLZCJY-UHFFFAOYSA-N 1 0 378.242 2.033 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000418432008 532880838 /nfs/dbraw/zinc/88/08/38/532880838.db2.gz YGSFPHJEIUYEAX-HUUCEWRRSA-N 1 0 397.317 2.005 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418420765 532880880 /nfs/dbraw/zinc/88/08/80/532880880.db2.gz AHOXEUFTALLSCL-SWLSCSKDSA-N 1 0 397.317 2.005 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418433127 532880888 /nfs/dbraw/zinc/88/08/88/532880888.db2.gz BVCGPVGEKNTXPG-AWEZNQCLSA-N 1 0 386.334 2.417 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418457344 532881210 /nfs/dbraw/zinc/88/12/10/532881210.db2.gz DNMAZFVNIGIADB-HOCLYGCPSA-N 1 0 386.334 2.417 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418448428 532881231 /nfs/dbraw/zinc/88/12/31/532881231.db2.gz RYUDSAOAVDSIJB-RYUDHWBXSA-N 1 0 378.300 2.406 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418465423 532881251 /nfs/dbraw/zinc/88/12/51/532881251.db2.gz GJHUJFSTVQDVME-PELKAZGASA-N 1 0 398.223 2.395 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)nc1 ZINC000290621022 532885315 /nfs/dbraw/zinc/88/53/15/532885315.db2.gz INENGXHVFWCBQS-AAEUAGOBSA-N 1 0 378.274 2.424 20 0 GEADRO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420918936 532887859 /nfs/dbraw/zinc/88/78/59/532887859.db2.gz AOFTWNVGBXUODG-DLBZAZTESA-N 1 0 383.330 2.149 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)CCC2 ZINC000290707300 532887027 /nfs/dbraw/zinc/88/70/27/532887027.db2.gz NTSHUNSBDAOQIB-OLMNPRSZSA-N 1 0 382.551 2.356 20 0 GEADRO Ic1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)nc1 ZINC000351089771 532887515 /nfs/dbraw/zinc/88/75/15/532887515.db2.gz LRQLVKDDRXWPSU-CMPLNLGQSA-N 1 0 398.204 2.272 20 0 GEADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420918939 532887815 /nfs/dbraw/zinc/88/78/15/532887815.db2.gz AOFTWNVGBXUODG-SJORKVTESA-N 1 0 383.330 2.149 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(Br)nc3)C2=O)n(C)n1 ZINC000290583514 532884995 /nfs/dbraw/zinc/88/49/95/532884995.db2.gz GBIIJSFHJBPXRO-DGCLKSJQSA-N 1 0 378.274 2.342 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCc2c1cccc2Br ZINC000421169959 532889472 /nfs/dbraw/zinc/88/94/72/532889472.db2.gz DVJZLIXOEUZBMA-QWHCGFSZSA-N 1 0 392.297 2.081 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421169401 532889523 /nfs/dbraw/zinc/88/95/23/532889523.db2.gz CRHDVUZAMSMULH-CYBMUJFWSA-N 1 0 394.313 2.329 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421305576 532889716 /nfs/dbraw/zinc/88/97/16/532889716.db2.gz UXDDCUIJEQGGTQ-LBPRGKRZSA-N 1 0 398.301 2.257 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000360165583 532889991 /nfs/dbraw/zinc/88/99/91/532889991.db2.gz MVNAAVCOTXUJER-GFCCVEGCSA-N 1 0 396.285 2.093 20 0 GEADRO Cc1nccn1CCCC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000360874046 532891276 /nfs/dbraw/zinc/89/12/76/532891276.db2.gz ZHPHOOVKHKCAON-UHFFFAOYSA-N 1 0 382.555 2.476 20 0 GEADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000360926207 532891820 /nfs/dbraw/zinc/89/18/20/532891820.db2.gz IVUITVAWSAPVHE-ZLDLUXBVSA-N 1 0 398.301 2.169 20 0 GEADRO O=C(NCc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000360977534 532892002 /nfs/dbraw/zinc/89/20/02/532892002.db2.gz SJZKJKQOMQIEEF-CVEARBPZSA-N 1 0 382.302 2.190 20 0 GEADRO CCN(CCC[NH2+]Cc1ccc(OC)c(Br)c1)S(C)(=O)=O ZINC000038035557 207259528 /nfs/dbraw/zinc/25/95/28/207259528.db2.gz OQWURGGTDIHSBL-UHFFFAOYSA-N 1 0 379.320 2.219 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)CCS(=O)(=O)C2)C1CCCCC1 ZINC000361259706 532892481 /nfs/dbraw/zinc/89/24/81/532892481.db2.gz UTTQGIVJRUIHTL-HNNXBMFYSA-N 1 0 384.567 2.459 20 0 GEADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423091133 532893601 /nfs/dbraw/zinc/89/36/01/532893601.db2.gz WSRQJRKUKOGLLP-WCQYABFASA-N 1 0 388.295 2.089 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423097138 532893624 /nfs/dbraw/zinc/89/36/24/532893624.db2.gz IWARUMVLEVATPS-BBRMVZONSA-N 1 0 396.329 2.382 20 0 GEADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423091132 532893635 /nfs/dbraw/zinc/89/36/35/532893635.db2.gz WSRQJRKUKOGLLP-DGCLKSJQSA-N 1 0 388.295 2.089 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423098030 532894133 /nfs/dbraw/zinc/89/41/33/532894133.db2.gz JSOPFFXTZZISFR-BBRMVZONSA-N 1 0 396.329 2.382 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000276359914 532894154 /nfs/dbraw/zinc/89/41/54/532894154.db2.gz FUCSAZHXTQVVQY-QMMMGPOBSA-N 1 0 378.217 2.122 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000361909196 532894173 /nfs/dbraw/zinc/89/41/73/532894173.db2.gz SNQUUGXMEVJSDM-CJNGLKHVSA-N 1 0 394.313 2.122 20 0 GEADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccncc3Br)CCC[N@@H+]2C)cn1 ZINC000361815519 532894187 /nfs/dbraw/zinc/89/41/87/532894187.db2.gz QEXNITABQXDZHA-MLGOLLRUSA-N 1 0 392.301 2.391 20 0 GEADRO O=C(Cc1csc(-c2cccs2)n1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000361928659 532894361 /nfs/dbraw/zinc/89/43/61/532894361.db2.gz PPZJKKSOZUTYMH-CABCVRRESA-N 1 0 377.535 2.472 20 0 GEADRO C[C@H]1CCN(C(=O)c2cc(F)ccc2I)C[C@H]1C[NH3+] ZINC000424019132 532894588 /nfs/dbraw/zinc/89/45/88/532894588.db2.gz RDLKPDIBNQFTIX-VHSXEESVSA-N 1 0 376.213 2.487 20 0 GEADRO C[C@H]1CCN(C(=O)c2ccc(I)c(F)c2)C[C@@H]1C[NH3+] ZINC000424022657 532894748 /nfs/dbraw/zinc/89/47/48/532894748.db2.gz VDMUGBSFOPNWBY-ONGXEEELSA-N 1 0 376.213 2.487 20 0 GEADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424031403 532894793 /nfs/dbraw/zinc/89/47/93/532894793.db2.gz ZYURCDSIEKTETG-BBRMVZONSA-N 1 0 385.302 2.429 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Br ZINC000424014489 532894818 /nfs/dbraw/zinc/89/48/18/532894818.db2.gz VDDUSCZBTPJCBA-SWLSCSKDSA-N 1 0 398.301 2.217 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCCc1ccc(Br)cc1OC ZINC000423031851 532892800 /nfs/dbraw/zinc/89/28/00/532892800.db2.gz LMEOXQWDWDGRJS-GDBMZVCRSA-N 1 0 385.302 2.274 20 0 GEADRO Brc1cncc(Br)c1C[NH2+]CCCN1CCOCC1 ZINC000290920097 532892816 /nfs/dbraw/zinc/89/28/16/532892816.db2.gz QJNZLABTDQKFIL-UHFFFAOYSA-N 1 0 393.123 2.419 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000423013557 532892859 /nfs/dbraw/zinc/89/28/59/532892859.db2.gz GCJNNGWSTCXCNS-KSYCFECVSA-N 1 0 385.302 2.408 20 0 GEADRO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361311977 532892951 /nfs/dbraw/zinc/89/29/51/532892951.db2.gz ZBMTWIOVPVEYOF-STQMWFEESA-N 1 0 375.416 2.172 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)CC1 ZINC000423022322 532893011 /nfs/dbraw/zinc/89/30/11/532893011.db2.gz HNSSQFUGJVCLHE-JTQLQIEISA-N 1 0 388.331 2.055 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000424053391 532895149 /nfs/dbraw/zinc/89/51/49/532895149.db2.gz ONVICSDYCQAHAA-CXTNEJHOSA-N 1 0 396.329 2.399 20 0 GEADRO Cc1nc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)ccc1I ZINC000291105855 532896208 /nfs/dbraw/zinc/89/62/08/532896208.db2.gz SCPLKJPJNWXJLY-SECBINFHSA-N 1 0 397.220 2.047 20 0 GEADRO COc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1Br ZINC000424647583 532896914 /nfs/dbraw/zinc/89/69/14/532896914.db2.gz KWXVWCAPBDTXLQ-UHFFFAOYSA-N 1 0 393.285 2.452 20 0 GEADRO O=C(CSc1n[n-]c(=S)s1)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363170253 532896980 /nfs/dbraw/zinc/89/69/80/532896980.db2.gz FGKXHYQGASGSOT-CYBMUJFWSA-N 1 0 395.579 2.342 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000363535721 532899312 /nfs/dbraw/zinc/89/93/12/532899312.db2.gz ULCKMGYZTKDTSD-PVAVHDDUSA-N 1 0 390.908 2.492 20 0 GEADRO CCn1cc(Br)cc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363540943 532899409 /nfs/dbraw/zinc/89/94/09/532899409.db2.gz CZAUPAVEOYDEMO-OAHLLOKOSA-N 1 0 383.334 2.123 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000291277071 532899406 /nfs/dbraw/zinc/89/94/06/532899406.db2.gz HUAANQJQXOAQNS-NEPJUHHUSA-N 1 0 383.290 2.080 20 0 GEADRO O=C(Nc1cc(Br)c[nH]c1=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000363588846 532899687 /nfs/dbraw/zinc/89/96/87/532899687.db2.gz PQVBNKDJSAVLKV-UHFFFAOYSA-N 1 0 394.273 2.484 20 0 GEADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)Nc1ccccc1Br ZINC000363672004 532899994 /nfs/dbraw/zinc/89/99/94/532899994.db2.gz MABUFWPPYSVTOW-HUUCEWRRSA-N 1 0 396.329 2.309 20 0 GEADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000291237874 532898892 /nfs/dbraw/zinc/89/88/92/532898892.db2.gz FIPRWIZEGLRCIL-UHFFFAOYSA-N 1 0 378.420 2.339 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000363442548 532898939 /nfs/dbraw/zinc/89/89/39/532898939.db2.gz QIXLNRUGMSUTQO-COXVUDFISA-N 1 0 390.908 2.492 20 0 GEADRO C[C@@H](CC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc(F)c(Br)c1 ZINC000291608274 532905232 /nfs/dbraw/zinc/90/52/32/532905232.db2.gz DFHOODYANLZAOY-JSGCOSHPSA-N 1 0 386.309 2.444 20 0 GEADRO CCOC(=O)Nc1scnc1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000291623283 532905548 /nfs/dbraw/zinc/90/55/48/532905548.db2.gz HCOLKSOKQBUHSC-NWDGAFQWSA-N 1 0 384.527 2.363 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000291522698 532903610 /nfs/dbraw/zinc/90/36/10/532903610.db2.gz PZYKGGORPQMATA-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000276984223 532904995 /nfs/dbraw/zinc/90/49/95/532904995.db2.gz VIRJRNGXGKQHNI-HIFRSBDPSA-N 1 0 388.917 2.128 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000364293719 532905854 /nfs/dbraw/zinc/90/58/54/532905854.db2.gz ZMLLHTJGXZPUBS-FZMZJTMJSA-N 1 0 389.315 2.172 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000364295196 532905898 /nfs/dbraw/zinc/90/58/98/532905898.db2.gz JCPQBCZUCPEGQP-ZBFHGGJFSA-N 1 0 379.551 2.019 20 0 GEADRO CC[NH+]1CCC(NC(=O)NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000277005228 532905912 /nfs/dbraw/zinc/90/59/12/532905912.db2.gz KNCXLVCVRQVLNQ-CQSZACIVSA-N 1 0 398.345 2.384 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000364609916 532907309 /nfs/dbraw/zinc/90/73/09/532907309.db2.gz VEWVBVIJTLVFKU-LRDDRELGSA-N 1 0 376.284 2.429 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000291698442 532907563 /nfs/dbraw/zinc/90/75/63/532907563.db2.gz APNCELKEWDLCTR-LBPRGKRZSA-N 1 0 395.301 2.183 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000291693883 532907572 /nfs/dbraw/zinc/90/75/72/532907572.db2.gz AAQURQOLGNYKMV-SWLSCSKDSA-N 1 0 382.302 2.436 20 0 GEADRO CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000364654188 532907692 /nfs/dbraw/zinc/90/76/92/532907692.db2.gz MLPBGZPSRHNJGC-IXDOHACOSA-N 1 0 394.313 2.451 20 0 GEADRO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000365320147 532909696 /nfs/dbraw/zinc/90/96/96/532909696.db2.gz NQCOFIDAAABMTG-STQMWFEESA-N 1 0 386.279 2.220 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(Br)ccc3F)CC2)C1 ZINC000365373978 532910298 /nfs/dbraw/zinc/91/02/98/532910298.db2.gz ZKZFCAJQFYUYIS-CQSZACIVSA-N 1 0 384.293 2.440 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(Cl)cc1Cl ZINC000365357533 532910315 /nfs/dbraw/zinc/91/03/15/532910315.db2.gz QKGKGWVCTZIYLT-ZANVPECISA-N 1 0 377.293 2.221 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2nc(C3CC3)ncc2Br)CCSC1 ZINC000291821356 532908891 /nfs/dbraw/zinc/90/88/91/532908891.db2.gz SEAYCABAOMZADD-OAHLLOKOSA-N 1 0 385.331 2.284 20 0 GEADRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000292016804 532912036 /nfs/dbraw/zinc/91/20/36/532912036.db2.gz DXJSHDYRFQUDAB-MRXNPFEDSA-N 1 0 394.313 2.266 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000292029461 532912172 /nfs/dbraw/zinc/91/21/72/532912172.db2.gz GOHHHFCTVNSXPK-CQSZACIVSA-N 1 0 387.571 2.416 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000292029456 532912222 /nfs/dbraw/zinc/91/22/22/532912222.db2.gz GOHHHFCTVNSXPK-AWEZNQCLSA-N 1 0 387.571 2.416 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CC[N@@H+](C2CCC2)C1 ZINC000292060246 532912371 /nfs/dbraw/zinc/91/23/71/532912371.db2.gz OOGVRHIHTBYJIH-LBPRGKRZSA-N 1 0 388.331 2.339 20 0 GEADRO C[C@H](CNC(=O)c1cc(F)c(F)cc1I)C[NH+](C)C ZINC000292359638 532915588 /nfs/dbraw/zinc/91/55/88/532915588.db2.gz LOTGEVNGVGFHKF-MRVPVSSYSA-N 1 0 382.192 2.497 20 0 GEADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)CC[C@@H]1CCCCN1C(C)=O ZINC000366268548 532915621 /nfs/dbraw/zinc/91/56/21/532915621.db2.gz QZVXWWMCEZYVFZ-SFHVURJKSA-N 1 0 375.579 2.161 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O)C(C)(C)C ZINC000366269006 532915662 /nfs/dbraw/zinc/91/56/62/532915662.db2.gz VECCOCYYAGJBAO-HZPDHXFCSA-N 1 0 375.579 2.352 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000292137569 532913809 /nfs/dbraw/zinc/91/38/09/532913809.db2.gz YOVYZLDXWAQENS-HNNXBMFYSA-N 1 0 389.315 2.174 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1Br ZINC000366061149 532914252 /nfs/dbraw/zinc/91/42/52/532914252.db2.gz MFMWPKCEFBHGQZ-KGYLQXTDSA-N 1 0 385.306 2.058 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1Br ZINC000366061151 532914292 /nfs/dbraw/zinc/91/42/92/532914292.db2.gz MFMWPKCEFBHGQZ-WCFLWFBJSA-N 1 0 385.306 2.058 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000366336922 532916394 /nfs/dbraw/zinc/91/63/94/532916394.db2.gz BNGQNSPOZJVLTJ-CABCVRRESA-N 1 0 386.279 2.301 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000366383707 532916939 /nfs/dbraw/zinc/91/69/39/532916939.db2.gz ZHBGDTLYKRXXAJ-VXGBXAGGSA-N 1 0 391.509 2.366 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000366435945 532917094 /nfs/dbraw/zinc/91/70/94/532917094.db2.gz XXTBIUBDVADTJE-GFCCVEGCSA-N 1 0 389.315 2.317 20 0 GEADRO CC[NH+]1CCC(Nc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000292656348 532917265 /nfs/dbraw/zinc/91/72/65/532917265.db2.gz CTJJJJUIRATCRG-UHFFFAOYSA-N 1 0 378.274 2.286 20 0 GEADRO O=C(Nc1nccs1)C1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000366451975 532917448 /nfs/dbraw/zinc/91/74/48/532917448.db2.gz UFHVBRFWBIDCMV-CQSZACIVSA-N 1 0 381.523 2.433 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)[C@H]1COCCN1C1CCCC1 ZINC000366554612 532918768 /nfs/dbraw/zinc/91/87/68/532918768.db2.gz XKDCXQCJHNKJPH-MRXNPFEDSA-N 1 0 399.333 2.185 20 0 GEADRO OC[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1ccccc1OC(F)(F)F ZINC000292819507 532918880 /nfs/dbraw/zinc/91/88/80/532918880.db2.gz CYAWTILQANJAPN-ONGXEEELSA-N 1 0 377.281 2.148 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c2cccnc12)C[NH+](C)C ZINC000293089953 532921915 /nfs/dbraw/zinc/92/19/15/532921915.db2.gz DVPMEGVYDFDKCY-LLVKDONJSA-N 1 0 393.285 2.250 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000293099711 532922011 /nfs/dbraw/zinc/92/20/11/532922011.db2.gz BVJVXAVSCBNRJR-QGZVFWFLSA-N 1 0 380.286 2.250 20 0 GEADRO O=C1[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)CCN1c1cccc(Br)c1 ZINC000366936109 532922058 /nfs/dbraw/zinc/92/20/58/532922058.db2.gz VHZBQSGOXLOHAN-UXLLHSPISA-N 1 0 392.297 2.201 20 0 GEADRO C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3cccnc3Br)C2)CC1 ZINC000366946106 532922151 /nfs/dbraw/zinc/92/21/51/532922151.db2.gz PKMGXUJYJMKGHG-UHFFFAOYSA-N 1 0 395.301 2.117 20 0 GEADRO O=C1[C@@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)CCN1c1cccc(Br)c1 ZINC000366936110 532922215 /nfs/dbraw/zinc/92/22/15/532922215.db2.gz VHZBQSGOXLOHAN-YQQAZPJKSA-N 1 0 392.297 2.201 20 0 GEADRO O=C(Nc1ccc(Cl)c(F)c1)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000366595977 532919340 /nfs/dbraw/zinc/91/93/40/532919340.db2.gz YGXUKDRMUGVNHZ-ZDUSSCGKSA-N 1 0 389.880 2.252 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Cl)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000366651908 532920046 /nfs/dbraw/zinc/92/00/46/532920046.db2.gz JHPSCQLROIHGAZ-KGLIPLIRSA-N 1 0 376.881 2.089 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292937517 532920326 /nfs/dbraw/zinc/92/03/26/532920326.db2.gz ZOGGPFXLTJYOQK-QGZVFWFLSA-N 1 0 386.901 2.233 20 0 GEADRO CSCC[C@@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1nnc2ccccn21 ZINC000292950922 532920375 /nfs/dbraw/zinc/92/03/75/532920375.db2.gz OFNVLYJWCMKYTD-NWDGAFQWSA-N 1 0 378.420 2.053 20 0 GEADRO CSCC[C@@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1nnc2ccccn21 ZINC000292950941 532920423 /nfs/dbraw/zinc/92/04/23/532920423.db2.gz OFNVLYJWCMKYTD-VXGBXAGGSA-N 1 0 378.420 2.053 20 0 GEADRO C[NH+]1CCC(CC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000293028876 532921354 /nfs/dbraw/zinc/92/13/54/532921354.db2.gz VHMSDVONIFWPAT-QGZVFWFLSA-N 1 0 394.313 2.181 20 0 GEADRO OCc1cn([C@@H]2CCC[N@H+](CCOc3cccc(Br)c3)C2)nn1 ZINC000293024832 532921480 /nfs/dbraw/zinc/92/14/80/532921480.db2.gz RAFSXTVGWVEIMY-OAHLLOKOSA-N 1 0 381.274 2.249 20 0 GEADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000367460682 532925149 /nfs/dbraw/zinc/92/51/49/532925149.db2.gz HAOCQUFXZXPAAL-HOTGVXAUSA-N 1 0 379.302 2.128 20 0 GEADRO O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000367460681 532925209 /nfs/dbraw/zinc/92/52/09/532925209.db2.gz HAOCQUFXZXPAAL-CVEARBPZSA-N 1 0 379.302 2.128 20 0 GEADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000367173580 532923327 /nfs/dbraw/zinc/92/33/27/532923327.db2.gz QPSWINCCXHRNKE-ZDUSSCGKSA-N 1 0 380.432 2.091 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000293217617 532923735 /nfs/dbraw/zinc/92/37/35/532923735.db2.gz PQSOLGANASHPPN-VIFPVBQESA-N 1 0 390.267 2.032 20 0 GEADRO Cn1cc(Br)c(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000293238413 532924006 /nfs/dbraw/zinc/92/40/06/532924006.db2.gz YMNTWCBKRMOUOU-HNNXBMFYSA-N 1 0 391.313 2.477 20 0 GEADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000367374307 532924390 /nfs/dbraw/zinc/92/43/90/532924390.db2.gz HKKCZQDFRJICOX-SNVBAGLBSA-N 1 0 376.404 2.187 20 0 GEADRO CCn1nncc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000293283836 532924874 /nfs/dbraw/zinc/92/48/74/532924874.db2.gz OFWKUSNWRPUBNJ-UHFFFAOYSA-N 1 0 380.290 2.265 20 0 GEADRO O=S(=O)(NC1CC[NH+](CCCn2ccnc2)CC1)c1ccc(Cl)cc1 ZINC000367706000 532926631 /nfs/dbraw/zinc/92/66/31/532926631.db2.gz QAUCWPIVEXNATC-UHFFFAOYSA-N 1 0 382.917 2.370 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnc1Br ZINC000367799578 532927345 /nfs/dbraw/zinc/92/73/45/532927345.db2.gz GTFGUJBSPVZOSE-QXMXGUDHSA-N 1 0 395.301 2.080 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000367843709 532927683 /nfs/dbraw/zinc/92/76/83/532927683.db2.gz PCNRGBZRBPKLQQ-BBRMVZONSA-N 1 0 394.313 2.264 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3c(F)cccc3Br)C2)C1 ZINC000293497202 532927745 /nfs/dbraw/zinc/92/77/45/532927745.db2.gz WYCCLNAXYWVFMU-KRWDZBQOSA-N 1 0 398.276 2.471 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293496355 532927845 /nfs/dbraw/zinc/92/78/45/532927845.db2.gz SDRJHBAEHJKMSQ-LQQXQJGASA-N 1 0 393.281 2.444 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3c(F)cccc3Br)C2)C1 ZINC000293497204 532927868 /nfs/dbraw/zinc/92/78/68/532927868.db2.gz WYCCLNAXYWVFMU-QGZVFWFLSA-N 1 0 398.276 2.471 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000368103233 532930161 /nfs/dbraw/zinc/93/01/61/532930161.db2.gz UFHNGUCBTPOFKU-MWLCHTKSSA-N 1 0 399.314 2.028 20 0 GEADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367957292 532929104 /nfs/dbraw/zinc/92/91/04/532929104.db2.gz NDKCTTDTYYBREF-LOWVWBTDSA-N 1 0 376.309 2.493 20 0 GEADRO O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000367991459 532929264 /nfs/dbraw/zinc/92/92/64/532929264.db2.gz BBRWFUNABZHANY-KGLIPLIRSA-N 1 0 376.503 2.262 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cn4ccc(Br)cc4n3)[C@H]2C1 ZINC000293596566 532929407 /nfs/dbraw/zinc/92/94/07/532929407.db2.gz IZBYRJVRZZEGLK-JKSUJKDBSA-N 1 0 379.302 2.392 20 0 GEADRO CC(C)(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000368007675 532929434 /nfs/dbraw/zinc/92/94/34/532929434.db2.gz GMHPYOMLUQFMJR-MRXNPFEDSA-N 1 0 380.330 2.233 20 0 GEADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368012251 532929471 /nfs/dbraw/zinc/92/94/71/532929471.db2.gz QCRQCWGYRRQXJZ-DYEKYZERSA-N 1 0 382.291 2.414 20 0 GEADRO Cc1nn(C)c(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1Br ZINC000368050647 532929897 /nfs/dbraw/zinc/92/98/97/532929897.db2.gz GVBLTKNMACAXDP-CYBMUJFWSA-N 1 0 384.366 2.091 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000368058673 532930013 /nfs/dbraw/zinc/93/00/13/532930013.db2.gz AQKZXVZGCVKGKI-HZPDHXFCSA-N 1 0 377.913 2.143 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Cl)cc1Cl ZINC000368362725 532931998 /nfs/dbraw/zinc/93/19/98/532931998.db2.gz PTYSZSBBHPSPQD-ZANVPECISA-N 1 0 377.293 2.221 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000368419495 532932292 /nfs/dbraw/zinc/93/22/92/532932292.db2.gz LQNUJLKHDWSZAP-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)ncc3Cl)[C@H]2C1 ZINC000293860973 532932486 /nfs/dbraw/zinc/93/24/86/532932486.db2.gz JKEUHUXGTZNUIS-QWHCGFSZSA-N 1 0 388.693 2.433 20 0 GEADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000368203629 532930596 /nfs/dbraw/zinc/93/05/96/532930596.db2.gz VENGSEMHJMQWEH-STQMWFEESA-N 1 0 375.332 2.341 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3c(Cl)nc4sccn34)[C@H]2C1 ZINC000293803904 532931627 /nfs/dbraw/zinc/93/16/27/532931627.db2.gz DQRHZGMAOWHVES-PUWCWTCHSA-N 1 0 380.901 2.384 20 0 GEADRO C[C@]([NH3+])(C(=O)NCCCOC1CCOCC1)c1ccc(Br)cc1 ZINC000294069524 532935328 /nfs/dbraw/zinc/93/53/28/532935328.db2.gz KUNUKQQFCYBRFV-QGZVFWFLSA-N 1 0 385.302 2.325 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368898815 532935433 /nfs/dbraw/zinc/93/54/33/532935433.db2.gz DCSVYANBCUIBLM-QWHCGFSZSA-N 1 0 380.286 2.439 20 0 GEADRO Cc1nc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000368487038 532932651 /nfs/dbraw/zinc/93/26/51/532932651.db2.gz GCTYATMBICLXHK-OAHLLOKOSA-N 1 0 380.539 2.057 20 0 GEADRO Cn1ccc(N2CC[C@H]([NH2+]Cc3cc(Br)cc4c3OCC4)C2)n1 ZINC000368486560 532932674 /nfs/dbraw/zinc/93/26/74/532932674.db2.gz OJSKSEULUUITDU-HNNXBMFYSA-N 1 0 377.286 2.486 20 0 GEADRO Cc1c(Cl)c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)sc1S(N)(=O)=O ZINC000368550510 532933276 /nfs/dbraw/zinc/93/32/76/532933276.db2.gz HTRXBZULIJILTG-ONGXEEELSA-N 1 0 391.946 2.056 20 0 GEADRO Cc1c(Cl)c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)sc1S(N)(=O)=O ZINC000368550509 532933363 /nfs/dbraw/zinc/93/33/63/532933363.db2.gz HTRXBZULIJILTG-MWLCHTKSSA-N 1 0 391.946 2.056 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@H]2CSCCS2)CC1 ZINC000368564394 532933431 /nfs/dbraw/zinc/93/34/31/532933431.db2.gz RAYACKCACFULGY-ZDUSSCGKSA-N 1 0 378.610 2.339 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000294101796 532935814 /nfs/dbraw/zinc/93/58/14/532935814.db2.gz JLXAASZVKKAWCQ-UHFFFAOYSA-N 1 0 384.318 2.356 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369026092 532936525 /nfs/dbraw/zinc/93/65/25/532936525.db2.gz HBXXRUNRTSGLGI-CABCVRRESA-N 1 0 398.301 2.120 20 0 GEADRO Cn1ccc([C@H](NS(=O)(=O)CC[NH+]2CCCC2)c2ccc(Cl)cc2)n1 ZINC000369079999 532936697 /nfs/dbraw/zinc/93/66/97/532936697.db2.gz ZWYFOSAFROLAOV-QGZVFWFLSA-N 1 0 382.917 2.178 20 0 GEADRO CSc1ccc([C@H](CNC(=O)[C@H](C)Sc2nncn2C)[NH+](C)C)cc1 ZINC000294200692 532936772 /nfs/dbraw/zinc/93/67/72/532936772.db2.gz CFBODLJIPMUXDI-WFASDCNBSA-N 1 0 379.555 2.437 20 0 GEADRO O=C(CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1ccc(Br)cc1 ZINC000369266326 532937685 /nfs/dbraw/zinc/93/76/85/532937685.db2.gz NCOFNYKXRPALRT-DLBZAZTESA-N 1 0 396.329 2.309 20 0 GEADRO O=C(NCc1ccccc1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368969564 532936064 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ZZBBSUNQFRGAEN-BBRMVZONSA-N 1 0 380.901 2.487 20 0 GEADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000370160601 532942398 /nfs/dbraw/zinc/94/23/98/532942398.db2.gz KMFQRWMZXDPQBU-LRDDRELGSA-N 1 0 375.270 2.459 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)cc3O)C2)CC1 ZINC000370413058 532943289 /nfs/dbraw/zinc/94/32/89/532943289.db2.gz DTIJUZDYMNFUJC-OAHLLOKOSA-N 1 0 396.329 2.395 20 0 GEADRO CN(C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000369747719 532940780 /nfs/dbraw/zinc/94/07/80/532940780.db2.gz BUBSRUCEVREDMO-GOEBONIOSA-N 1 0 394.313 2.403 20 0 GEADRO Cn1nnnc1N1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000369835092 532940953 /nfs/dbraw/zinc/94/09/53/532940953.db2.gz MUPHRFOWLDHBEI-CQSZACIVSA-N 1 0 395.280 2.358 20 0 GEADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCCCNC1=O ZINC000369899300 532941238 /nfs/dbraw/zinc/94/12/38/532941238.db2.gz GJBNTDDQOIOSAL-LBPRGKRZSA-N 1 0 390.228 2.266 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cnc1Br ZINC000369919486 532941294 /nfs/dbraw/zinc/94/12/94/532941294.db2.gz LLUOULLBHJDMDC-CQSZACIVSA-N 1 0 395.301 2.178 20 0 GEADRO O=C(C[N@H+]1CCCC[C@@H](CO)C1)Nc1cccc(I)c1 ZINC000370070707 532942003 /nfs/dbraw/zinc/94/20/03/532942003.db2.gz PVPLLZZPVOAXQK-GFCCVEGCSA-N 1 0 388.249 2.324 20 0 GEADRO O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370678676 532944845 /nfs/dbraw/zinc/94/48/45/532944845.db2.gz FEUHSSUFXJIGDY-GJZGRUSLSA-N 1 0 392.297 2.452 20 0 GEADRO O=C1CO[C@@H]2CCN(Cc3cc(Br)cc4cccnc43)C[C@H]2N1 ZINC000370707371 532944913 /nfs/dbraw/zinc/94/49/13/532944913.db2.gz OALFYXGHDXEFKB-HUUCEWRRSA-N 1 0 376.254 2.087 20 0 GEADRO O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000370710798 532944966 /nfs/dbraw/zinc/94/49/66/532944966.db2.gz ZVIVUBLTYQTKLD-DOMZBBRYSA-N 1 0 380.286 2.378 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370741919 532945102 /nfs/dbraw/zinc/94/51/02/532945102.db2.gz QQZKLXCMHJQNFE-UONOGXRCSA-N 1 0 380.286 2.439 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371362862 532947689 /nfs/dbraw/zinc/94/76/89/532947689.db2.gz YJQYNQKCYWZFAQ-CJNGLKHVSA-N 1 0 396.329 2.253 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000371620027 532949133 /nfs/dbraw/zinc/94/91/33/532949133.db2.gz FKDMHXWKNLFNTH-HNNXBMFYSA-N 1 0 398.345 2.312 20 0 GEADRO CC(C)c1nccn1[C@H]1CCCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000371730508 532949465 /nfs/dbraw/zinc/94/94/65/532949465.db2.gz UZIHFKRUDNNLCC-LSDHHAIUSA-N 1 0 385.555 2.090 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000047920003 207687195 /nfs/dbraw/zinc/68/71/95/207687195.db2.gz YPNBTRNUGSHJQR-MRXNPFEDSA-N 1 0 395.569 2.487 20 0 GEADRO C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000249125715 570763324 /nfs/dbraw/zinc/76/33/24/570763324.db2.gz QUHIJSATSKGNNF-PMACEKPBSA-N 1 0 387.524 2.296 20 0 GEADRO CN(C)c1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)ccn1 ZINC000583616020 570801506 /nfs/dbraw/zinc/80/15/06/570801506.db2.gz DJNXCXNSUDVRFB-GOSISDBHSA-N 1 0 384.528 2.083 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736401455 598825749 /nfs/dbraw/zinc/82/57/49/598825749.db2.gz WZVANCBJWYLEBK-PKOBYXMFSA-N 1 0 397.527 2.216 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736292038 598834754 /nfs/dbraw/zinc/83/47/54/598834754.db2.gz HKXXDQIZMAFBNW-OCCSQVGLSA-N 1 0 389.891 2.017 20 0 GEADRO CSCCCCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737181159 598845164 /nfs/dbraw/zinc/84/51/64/598845164.db2.gz GJPMTIYHLSJBTK-UHFFFAOYSA-N 1 0 388.541 2.434 20 0 GEADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[NH+](C2CCC2)CC1 ZINC000738144469 598853422 /nfs/dbraw/zinc/85/34/22/598853422.db2.gz CMPKLJYVAHTMNO-UHFFFAOYSA-N 1 0 393.398 2.170 20 0 GEADRO CCOC(=O)CCCC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736592700 598858863 /nfs/dbraw/zinc/85/88/63/598858863.db2.gz UCLHZYUYOOWTDK-UHFFFAOYSA-N 1 0 386.500 2.108 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736266863 598868063 /nfs/dbraw/zinc/86/80/63/598868063.db2.gz KPSMVJYJZZBGTK-SJORKVTESA-N 1 0 398.511 2.359 20 0 GEADRO NC(=O)[C@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731518 598887067 /nfs/dbraw/zinc/88/70/67/598887067.db2.gz SDBXQXZXHDJUBJ-MRXNPFEDSA-N 1 0 382.855 2.368 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736764528 598911613 /nfs/dbraw/zinc/91/16/13/598911613.db2.gz RMENRAYMHHOGRE-CQSZACIVSA-N 1 0 393.451 2.078 20 0 GEADRO O=C(C[N@@H+](CCO)[C@H]1CCCc2ccccc21)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737862751 598917573 /nfs/dbraw/zinc/91/75/73/598917573.db2.gz BALKXXSXJOZYNN-IBGZPJMESA-N 1 0 392.463 2.177 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736759551 598925052 /nfs/dbraw/zinc/92/50/52/598925052.db2.gz UJXGJLICFWWDDX-UHFFFAOYSA-N 1 0 398.467 2.453 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1Cc2ccccc21 ZINC000736767926 598930975 /nfs/dbraw/zinc/93/09/75/598930975.db2.gz UMQZIRHUBZGFAS-LJQANCHMSA-N 1 0 376.464 2.097 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000736859933 598932867 /nfs/dbraw/zinc/93/28/67/598932867.db2.gz KKTLROYHBBVZOA-KRWDZBQOSA-N 1 0 392.463 2.270 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc2c(c1)OCO2 ZINC000736130158 598959262 /nfs/dbraw/zinc/95/92/62/598959262.db2.gz GPGQDYRJMAWCHV-MLGOLLRUSA-N 1 0 392.419 2.052 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000738101174 598963293 /nfs/dbraw/zinc/96/32/93/598963293.db2.gz GNTYRZHALHBEBY-LJQANCHMSA-N 1 0 391.479 2.331 20 0 GEADRO CCN1CCC([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736565552 598980560 /nfs/dbraw/zinc/98/05/60/598980560.db2.gz LKZGEUBRQONBRL-UHFFFAOYSA-N 1 0 391.907 2.265 20 0 GEADRO CC(C)OCCC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000735896463 598988361 /nfs/dbraw/zinc/98/83/61/598988361.db2.gz QISXTWASWHDWBZ-UHFFFAOYSA-N 1 0 392.529 2.492 20 0 GEADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000737262425 599000261 /nfs/dbraw/zinc/00/02/61/599000261.db2.gz MGEHDANTBYYDSD-UHFFFAOYSA-N 1 0 395.492 2.371 20 0 GEADRO CC[C@H](C(=O)OCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+](CC)CC ZINC000736313597 599018386 /nfs/dbraw/zinc/01/83/86/599018386.db2.gz NXOWTQSGAACOKP-CQSZACIVSA-N 1 0 394.863 2.122 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000736133241 599052691 /nfs/dbraw/zinc/05/26/91/599052691.db2.gz GQDQETLWENJEEX-UZLBHIALSA-N 1 0 378.480 2.246 20 0 GEADRO C[NH+]1CCC(CNc2ncc(-c3nn[nH]n3)cc2Cl)(N2CCCCC2)CC1 ZINC000821621967 599062522 /nfs/dbraw/zinc/06/25/22/599062522.db2.gz NHEOUBVEQFNQMK-UHFFFAOYSA-N 1 0 390.923 2.277 20 0 GEADRO COC1CCC([N@H+](C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736962740 599080151 /nfs/dbraw/zinc/08/01/51/599080151.db2.gz RCBDGOMLAGTVSZ-UHFFFAOYSA-N 1 0 378.864 2.348 20 0 GEADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736235962 599080265 /nfs/dbraw/zinc/08/02/65/599080265.db2.gz QKUKYCZIZJAPTB-KXBFYZLASA-N 1 0 376.464 2.361 20 0 GEADRO NC(=O)[C@@H](NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730815 599087638 /nfs/dbraw/zinc/08/76/38/599087638.db2.gz MIGKFBMWZXMKKZ-SFHVURJKSA-N 1 0 397.527 2.172 20 0 GEADRO CN(C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)[C@@H]1CCC[N@H+](C)C1 ZINC000736858524 599091541 /nfs/dbraw/zinc/09/15/41/599091541.db2.gz SJUTVRIDWAFJRM-OAHLLOKOSA-N 1 0 396.451 2.205 20 0 GEADRO CCCCOc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736463583 599090653 /nfs/dbraw/zinc/09/06/53/599090653.db2.gz QDAYXCBKVLETDP-IBGZPJMESA-N 1 0 394.479 2.404 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000737188782 599106818 /nfs/dbraw/zinc/10/68/18/599106818.db2.gz GOMQBYDRHMIKIF-ZYHUDNBSSA-N 1 0 387.513 2.074 20 0 GEADRO 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O=C(NCCC[NH+]1CCCC1)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823188414 599290278 /nfs/dbraw/zinc/29/02/78/599290278.db2.gz ZGRJETAQDLPEFJ-UHFFFAOYSA-N 1 0 383.378 2.493 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821255210 599291659 /nfs/dbraw/zinc/29/16/59/599291659.db2.gz WIIZORAJNFIXSS-NSHDSACASA-N 1 0 383.378 2.491 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC000821345106 598203743 /nfs/dbraw/zinc/20/37/43/598203743.db2.gz JSPUNGJTVWFKHZ-HXUWFJFHSA-N 1 0 381.476 2.372 20 0 GEADRO COc1ccc(CC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000737089929 598241820 /nfs/dbraw/zinc/24/18/20/598241820.db2.gz ZSVRWHLKQPPFOL-UHFFFAOYSA-N 1 0 382.443 2.379 20 0 GEADRO CC[N@H+](Cc1ccc(OCC(N)=O)cc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736558442 598249211 /nfs/dbraw/zinc/24/92/11/598249211.db2.gz KJEVKLDDEIGQDJ-CQSZACIVSA-N 1 0 380.452 2.314 20 0 GEADRO C[C@H]1CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736259711 598257280 /nfs/dbraw/zinc/25/72/80/598257280.db2.gz GDVVGASSFMVTKG-YJBOKZPZSA-N 1 0 383.500 2.273 20 0 GEADRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000736417647 598300345 /nfs/dbraw/zinc/30/03/45/598300345.db2.gz UFTOBCKBHWTQGZ-OAHLLOKOSA-N 1 0 381.484 2.248 20 0 GEADRO CC(C)(CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[NH+]1CCCCC1 ZINC000735670140 598316756 /nfs/dbraw/zinc/31/67/56/598316756.db2.gz FJPPSHIDQICBCI-UHFFFAOYSA-N 1 0 375.452 2.070 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000736268594 598318748 /nfs/dbraw/zinc/31/87/48/598318748.db2.gz YHNULBPRFYZVJX-ZDUSSCGKSA-N 1 0 389.479 2.316 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735619697 598318834 /nfs/dbraw/zinc/31/88/34/598318834.db2.gz XKRYCXAJDCDLBA-UHFFFAOYSA-N 1 0 375.452 2.068 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[NH+](CC2CC2)CC1 ZINC000738400638 598321092 /nfs/dbraw/zinc/32/10/92/598321092.db2.gz 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Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n1 ZINC000737473655 598357352 /nfs/dbraw/zinc/35/73/52/598357352.db2.gz GAGJRETWNLHUBP-INIZCTEOSA-N 1 0 391.483 2.240 20 0 GEADRO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735586928 598372174 /nfs/dbraw/zinc/37/21/74/598372174.db2.gz NPZXXVUDHYLAML-OAHLLOKOSA-N 1 0 381.484 2.246 20 0 GEADRO CC1(C)CC[NH+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CC1 ZINC000736210877 598397058 /nfs/dbraw/zinc/39/70/58/598397058.db2.gz HUCOBTZHZGOXAO-UHFFFAOYSA-N 1 0 380.456 2.113 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000735873625 598427331 /nfs/dbraw/zinc/42/73/31/598427331.db2.gz DMPPKSZMMCFUFZ-MRXNPFEDSA-N 1 0 383.500 2.271 20 0 GEADRO CCC[NH+](CCC)CCCC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736472917 598429854 /nfs/dbraw/zinc/42/98/54/598429854.db2.gz AUUJUKGWZPXDFI-UHFFFAOYSA-N 1 0 399.543 2.418 20 0 GEADRO c1ccn2c(c1)nnc2C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738445675 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PXDSCZSWSNVIGK-OAHLLOKOSA-N 1 0 395.467 2.259 20 0 GEADRO COCC[N@@H+]1CC[C@H](Nc2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)C1 ZINC000737007588 598469204 /nfs/dbraw/zinc/46/92/04/598469204.db2.gz NNSHIQQRMYENQN-AWEZNQCLSA-N 1 0 392.467 2.109 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCCOC1 ZINC000736791338 598470068 /nfs/dbraw/zinc/47/00/68/598470068.db2.gz FNFQCOUMGNHFDT-GFCCVEGCSA-N 1 0 378.864 2.207 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736250799 598471343 /nfs/dbraw/zinc/47/13/43/598471343.db2.gz MTCQMCXOLQXVGV-VXGBXAGGSA-N 1 0 398.920 2.061 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738037497 598478880 /nfs/dbraw/zinc/47/88/80/598478880.db2.gz WHXZXNDHYWTCII-AEFFLSMTSA-N 1 0 381.484 2.168 20 0 GEADRO C[C@@]1([NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCCc2ccccc21 ZINC000736222488 598486367 /nfs/dbraw/zinc/48/63/67/598486367.db2.gz HSPRZBMSQPZLCU-DYESRHJHSA-N 1 0 379.464 2.448 20 0 GEADRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cn2)C[C@H](C)O1 ZINC000736291417 598492990 /nfs/dbraw/zinc/49/29/90/598492990.db2.gz WYPKSIITCBZZRK-GJZGRUSLSA-N 1 0 379.468 2.165 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736856751 598497222 /nfs/dbraw/zinc/49/72/22/598497222.db2.gz MXBBUKRKSRRFEV-AWEZNQCLSA-N 1 0 396.451 2.110 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1-c1nn[nH]n1 ZINC000737188523 598497343 /nfs/dbraw/zinc/49/73/43/598497343.db2.gz AKNYUZQSTUSRGD-ZDUSSCGKSA-N 1 0 399.524 2.075 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1-c1nn[nH]n1 ZINC000737188789 598502762 /nfs/dbraw/zinc/50/27/62/598502762.db2.gz GPLFLXVHOKMVKY-SNVBAGLBSA-N 1 0 387.513 2.074 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000735905140 598514398 /nfs/dbraw/zinc/51/43/98/598514398.db2.gz FKGCGPBZZJJBIZ-OAHLLOKOSA-N 1 0 385.472 2.260 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(OC(F)F)cc1 ZINC000736136423 598520183 /nfs/dbraw/zinc/52/01/83/598520183.db2.gz RUCDXWHQLBGZLF-GHMZBOCLSA-N 1 0 390.398 2.057 20 0 GEADRO c1cc(-c2ccccc2)oc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738420813 598523531 /nfs/dbraw/zinc/52/35/31/598523531.db2.gz MHECWLGWHNCVGO-CYBMUJFWSA-N 1 0 376.424 2.155 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1ccc(OC3CCCC3)cc1)C2 ZINC000738418462 598531716 /nfs/dbraw/zinc/53/17/16/598531716.db2.gz ISJJQXWQRYDHNG-HNNXBMFYSA-N 1 0 394.483 2.216 20 0 GEADRO C[C@H](CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)[NH+]1CCCC1 ZINC000736026283 598555368 /nfs/dbraw/zinc/55/53/68/598555368.db2.gz QBYCTMFOGIDQHO-CQSZACIVSA-N 1 0 396.451 2.253 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000738024212 598556665 /nfs/dbraw/zinc/55/66/65/598556665.db2.gz JMIHYNWYBHKZTA-CQSZACIVSA-N 1 0 394.435 2.005 20 0 GEADRO C[C@H](Cn1cncn1)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736100429 598561458 /nfs/dbraw/zinc/56/14/58/598561458.db2.gz YPWMEBIESIVIGV-OAHLLOKOSA-N 1 0 390.451 2.216 20 0 GEADRO CCN(CC)C(=O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736529765 598561487 /nfs/dbraw/zinc/56/14/87/598561487.db2.gz QZHDQESKNFZFFB-UHFFFAOYSA-N 1 0 394.479 2.404 20 0 GEADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[NH+](CC2CC2)CC1 ZINC000738146203 598562927 /nfs/dbraw/zinc/56/29/27/598562927.db2.gz QWCDPMYDRGXCDJ-UHFFFAOYSA-N 1 0 393.398 2.028 20 0 GEADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737921356 598570209 /nfs/dbraw/zinc/57/02/09/598570209.db2.gz WEZQQHKTQWBUIQ-SFHVURJKSA-N 1 0 398.511 2.406 20 0 GEADRO C[C@H]([NH2+]C(C)(C)CNC(=O)COc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736127600 598589215 /nfs/dbraw/zinc/58/92/15/598589215.db2.gz SDDUVBMVNGEEBI-HNNXBMFYSA-N 1 0 394.479 2.491 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCCCC1 ZINC000736008208 598594770 /nfs/dbraw/zinc/59/47/70/598594770.db2.gz IWLFWGBDBVTIET-VQIMIIECSA-N 1 0 397.527 2.074 20 0 GEADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000738162130 598598557 /nfs/dbraw/zinc/59/85/57/598598557.db2.gz JCRJWJIYVPWQLG-AWEZNQCLSA-N 1 0 381.415 2.252 20 0 GEADRO C[N@H+](CCC1CCCCC1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736793287 598617238 /nfs/dbraw/zinc/61/72/38/598617238.db2.gz WBWMPZBJVMSWAW-QGZVFWFLSA-N 1 0 382.468 2.401 20 0 GEADRO O=C(CC[N@H+]1CCCC[C@H]1CCO)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737843863 598620321 /nfs/dbraw/zinc/62/03/21/598620321.db2.gz NLIGOADTIPZVAU-ZDUSSCGKSA-N 1 0 378.864 2.086 20 0 GEADRO OCC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1-c1nn[nH]n1 ZINC000738393593 598620857 /nfs/dbraw/zinc/62/08/57/598620857.db2.gz KFSAUOXQCRGGCG-UHFFFAOYSA-N 1 0 389.463 2.106 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736226101 598633652 /nfs/dbraw/zinc/63/36/52/598633652.db2.gz VFCMBFDQZMFKCM-XQQFMLRXSA-N 1 0 375.452 2.494 20 0 GEADRO COC(=O)C1CC[NH+](CCCNc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736911716 598651781 /nfs/dbraw/zinc/65/17/81/598651781.db2.gz IYGROLUUCRVODJ-UHFFFAOYSA-N 1 0 378.864 2.207 20 0 GEADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000735882720 598658604 /nfs/dbraw/zinc/65/86/04/598658604.db2.gz RZLOFWRTDARNKR-UHFFFAOYSA-N 1 0 392.467 2.044 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000736171628 598669209 /nfs/dbraw/zinc/66/92/09/598669209.db2.gz XMZZVBRPSZDCRQ-INIZCTEOSA-N 1 0 386.500 2.406 20 0 GEADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)COc2ccccc2-c2nn[nH]n2)c1 ZINC000737393759 598670099 /nfs/dbraw/zinc/67/00/99/598670099.db2.gz KMKZZBWYZHEMQI-UHFFFAOYSA-N 1 0 394.479 2.144 20 0 GEADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)C1 ZINC000736267986 598680170 /nfs/dbraw/zinc/68/01/70/598680170.db2.gz VNAHYSAHQMCBSH-CQSZACIVSA-N 1 0 386.475 2.476 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[nH]n3)cc2)C1 ZINC000736848950 598685403 /nfs/dbraw/zinc/68/54/03/598685403.db2.gz PMLIRUMETNPBAU-ZDUSSCGKSA-N 1 0 396.426 2.480 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC[C@H]1CCCCO1 ZINC000736767550 598686856 /nfs/dbraw/zinc/68/68/56/598686856.db2.gz QWKCXKQDZXECNO-GOSISDBHSA-N 1 0 386.500 2.106 20 0 GEADRO C[NH+]1CCC(CCNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736850027 598687337 /nfs/dbraw/zinc/68/73/37/598687337.db2.gz XRIXWAPZRBEQNY-UHFFFAOYSA-N 1 0 386.500 2.264 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736856616 598690122 /nfs/dbraw/zinc/69/01/22/598690122.db2.gz KYRSZQOXCXKBCP-AWEZNQCLSA-N 1 0 393.451 2.126 20 0 GEADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000737801263 598697719 /nfs/dbraw/zinc/69/77/19/598697719.db2.gz MYWBQFRYELFKCI-HJWRWDBZSA-N 1 0 396.495 2.031 20 0 GEADRO Fc1cccc(C[N@H+](CCN2CCOCC2)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737661728 598700343 /nfs/dbraw/zinc/70/03/43/598700343.db2.gz PHIKBEZYJIGNHG-UHFFFAOYSA-N 1 0 396.470 2.340 20 0 GEADRO CC(C)CN(C(=O)c1ncc(-c2nn[nH]n2)cc1Cl)C1CC[NH+](C)CC1 ZINC000820081474 607366050 /nfs/dbraw/zinc/36/60/50/607366050.db2.gz HXNLDBUDAYTWNN-UHFFFAOYSA-N 1 0 377.880 2.108 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736479175 598752807 /nfs/dbraw/zinc/75/28/07/598752807.db2.gz CAKVIMAPIQSLGS-SFHVURJKSA-N 1 0 384.484 2.111 20 0 GEADRO COc1ccccc1C(C)(C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737139164 598764497 /nfs/dbraw/zinc/76/44/97/598764497.db2.gz UERYAJGIFINAJO-HNNXBMFYSA-N 1 0 383.452 2.140 20 0 GEADRO CC1(C)COCC[N@@H+]1CCNc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21 ZINC000736213666 598771768 /nfs/dbraw/zinc/77/17/68/598771768.db2.gz HWUVLGFHYXYJST-UHFFFAOYSA-N 1 0 389.410 2.216 20 0 GEADRO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ncccc1-c1nn[nH]n1 ZINC000736791896 598788105 /nfs/dbraw/zinc/78/81/05/598788105.db2.gz OWJSQSBNQKVDMK-LJQANCHMSA-N 1 0 393.495 2.144 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736238214 598809821 /nfs/dbraw/zinc/80/98/21/598809821.db2.gz UCGUTPLARROBAX-MGPQQGTHSA-N 1 0 389.529 2.204 20 0 GEADRO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736981640 598820875 /nfs/dbraw/zinc/82/08/75/598820875.db2.gz ZICLZNLLYBWLIT-RYUDHWBXSA-N 1 0 378.864 2.206 20 0 GEADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000736196545 599307551 /nfs/dbraw/zinc/30/75/51/599307551.db2.gz JNUPOHLSULSRSV-INIZCTEOSA-N 1 0 388.479 2.393 20 0 GEADRO CCOc1cc(C)nc(N2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000736626308 599316343 /nfs/dbraw/zinc/31/63/43/599316343.db2.gz RBROHIURRWVPFT-HNNXBMFYSA-N 1 0 394.483 2.247 20 0 GEADRO CCn1ccnc1CN1CCC[N@@H+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736721865 599317301 /nfs/dbraw/zinc/31/73/01/599317301.db2.gz FUKTWUDEGLITLB-INIZCTEOSA-N 1 0 380.500 2.352 20 0 GEADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000736195404 599321160 /nfs/dbraw/zinc/32/11/60/599321160.db2.gz HDJNUBAHOQDCPG-OAHLLOKOSA-N 1 0 376.464 2.447 20 0 GEADRO CC(C)(C)[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000735590224 599356217 /nfs/dbraw/zinc/35/62/17/599356217.db2.gz WMOULFZHGKWXOZ-ZDUSSCGKSA-N 1 0 392.529 2.132 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)NC1CCCCC1 ZINC000820414566 599388483 /nfs/dbraw/zinc/38/84/83/599388483.db2.gz ZFUBPYAYVPLBAA-QWHCGFSZSA-N 1 0 385.472 2.064 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000820413478 599389535 /nfs/dbraw/zinc/38/95/35/599389535.db2.gz QPJZDRDYVWEXGQ-VXGBXAGGSA-N 1 0 380.408 2.273 20 0 GEADRO COc1ccc(C[NH2+]C[C@H](O)COc2c(C)cccc2C)cc1-c1nn[nH]n1 ZINC000821808442 599414629 /nfs/dbraw/zinc/41/46/29/599414629.db2.gz GTXBNGSHFJHQJW-INIZCTEOSA-N 1 0 383.452 2.022 20 0 GEADRO COc1ccc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)cc1-c1nn[nH]n1 ZINC000821803639 599422058 /nfs/dbraw/zinc/42/20/58/599422058.db2.gz GOLCJULJAVVQGH-KRWDZBQOSA-N 1 0 378.440 2.405 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3OC)C2)cc1-c1nn[nH]n1 ZINC000821808137 599422674 /nfs/dbraw/zinc/42/26/74/599422674.db2.gz AQSMZYLMLXITJO-MRXNPFEDSA-N 1 0 394.479 2.500 20 0 GEADRO COc1ccc(C[NH2+]CCNC(=O)c2ccccc2Cl)cc1-c1nn[nH]n1 ZINC000821814251 599437333 /nfs/dbraw/zinc/43/73/33/599437333.db2.gz YTHKIMNYNRJAHX-UHFFFAOYSA-N 1 0 386.843 2.048 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821065332 599439190 /nfs/dbraw/zinc/43/91/90/599439190.db2.gz IESGYKUHDRODEH-INIZCTEOSA-N 1 0 389.479 2.460 20 0 GEADRO C[C@H]([NH2+]C1(CNCc2ccc(-c3nn[nH]n3)o2)CCOCC1)c1ccccc1 ZINC000820412950 599443778 /nfs/dbraw/zinc/44/37/78/599443778.db2.gz NQAGPQFMBMEGKW-HNNXBMFYSA-N 1 0 382.468 2.449 20 0 GEADRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736801046 599448601 /nfs/dbraw/zinc/44/86/01/599448601.db2.gz PDZYRZYLQMPLDM-UHFFFAOYSA-N 1 0 376.461 2.092 20 0 GEADRO COc1cc2c(cc1C[NH2+]CCOc1ccc(-c3nn[nH]n3)cc1)O[C@@H](C)C2 ZINC000821728633 599450940 /nfs/dbraw/zinc/45/09/40/599450940.db2.gz XSIRQSPBWUVUDF-ZDUSSCGKSA-N 1 0 381.436 2.367 20 0 GEADRO Fc1ccc(N2CC[NH+](CCNc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000822778084 599472813 /nfs/dbraw/zinc/47/28/13/599472813.db2.gz CJTMVWGJZPJAAV-UHFFFAOYSA-N 1 0 385.422 2.379 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000822336876 599474526 /nfs/dbraw/zinc/47/45/26/599474526.db2.gz SHKWRYBOICFKAE-MRXNPFEDSA-N 1 0 393.495 2.201 20 0 GEADRO C[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)N1CCc2ccccc2C1 ZINC000736024540 599482390 /nfs/dbraw/zinc/48/23/90/599482390.db2.gz ABACWLPMNNZCCL-OAHLLOKOSA-N 1 0 388.479 2.051 20 0 GEADRO CC(C)Oc1ccc([C@@H](O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735915605 599490341 /nfs/dbraw/zinc/49/03/41/599490341.db2.gz QSGAILOWHPBATD-SFHVURJKSA-N 1 0 393.451 2.125 20 0 GEADRO O=S(=O)(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738344817 599519135 /nfs/dbraw/zinc/51/91/35/599519135.db2.gz IXMZXRSSCWYFKU-UHFFFAOYSA-N 1 0 398.492 2.306 20 0 GEADRO C[N@H+](CCCO)C1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000736798167 599526621 /nfs/dbraw/zinc/52/66/21/599526621.db2.gz RYNNZFYGPDWXIO-UHFFFAOYSA-N 1 0 384.406 2.169 20 0 GEADRO CC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC[N@@H+]1C[C@H](C)O ZINC000820993929 599530714 /nfs/dbraw/zinc/53/07/14/599530714.db2.gz CDDHAVXPIJBTTE-HOTGVXAUSA-N 1 0 395.511 2.313 20 0 GEADRO C[C@@H]1CN(c2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820778986 599530839 /nfs/dbraw/zinc/53/08/39/599530839.db2.gz ZSPZTUCFRXTQHV-KUHUBIRLSA-N 1 0 382.443 2.250 20 0 GEADRO C[C@H]1CN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820776710 599531079 /nfs/dbraw/zinc/53/10/79/599531079.db2.gz MWRXWDLLCUMFFY-XJKSGUPXSA-N 1 0 399.886 2.159 20 0 GEADRO C[C@@H]1CN(c2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820778984 599531091 /nfs/dbraw/zinc/53/10/91/599531091.db2.gz ZSPZTUCFRXTQHV-AUUYWEPGSA-N 1 0 382.443 2.250 20 0 GEADRO CC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000820994086 599532671 /nfs/dbraw/zinc/53/26/71/599532671.db2.gz DDNFWSNUUXWDKL-UKRRQHHQSA-N 1 0 399.474 2.144 20 0 GEADRO Cc1ccc(NC(=O)COc2cccc(-c3nn[nH]n3)c2)c(OCC[NH+](C)C)c1 ZINC000737355906 599558091 /nfs/dbraw/zinc/55/80/91/599558091.db2.gz BEVNEXWKKIVAIF-UHFFFAOYSA-N 1 0 396.451 2.133 20 0 GEADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000823796461 599565978 /nfs/dbraw/zinc/56/59/78/599565978.db2.gz BRLMMCMJYFGYNO-AWEZNQCLSA-N 1 0 379.468 2.328 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736859745 599569949 /nfs/dbraw/zinc/56/99/49/599569949.db2.gz IQVZMWJZXAWYFG-SFHVURJKSA-N 1 0 377.452 2.434 20 0 GEADRO CCOC(=O)CC[N@@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)CC1CC1 ZINC000821330565 599570123 /nfs/dbraw/zinc/57/01/23/599570123.db2.gz NTRDEYIVWMGJLI-UHFFFAOYSA-N 1 0 397.439 2.082 20 0 GEADRO COC[C@H](C)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736967976 599575718 /nfs/dbraw/zinc/57/57/18/599575718.db2.gz CVNFCZQPVTTYSB-QWRGUYRKSA-N 1 0 378.502 2.149 20 0 GEADRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1nccnc1-c1nn[nH]n1 ZINC000821615545 599578743 /nfs/dbraw/zinc/57/87/43/599578743.db2.gz BAKDKZRLBOGUCC-UHFFFAOYSA-N 1 0 376.424 2.494 20 0 GEADRO c1cn(CN2CCC[C@H]2C[NH+]2CCCC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738406297 599580049 /nfs/dbraw/zinc/58/00/49/599580049.db2.gz SZGGGMIICRQCFS-SFHVURJKSA-N 1 0 378.484 2.248 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821599476 599583097 /nfs/dbraw/zinc/58/30/97/599583097.db2.gz WKICMUVIJXPIDF-INIZCTEOSA-N 1 0 382.472 2.223 20 0 GEADRO Fc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000737653325 599586298 /nfs/dbraw/zinc/58/62/98/599586298.db2.gz ZPDQTSDMRHSCOE-CQSZACIVSA-N 1 0 378.415 2.428 20 0 GEADRO c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738444996 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CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)ccc1OC ZINC000825412776 607716147 /nfs/dbraw/zinc/71/61/47/607716147.db2.gz UNZHCVBUYQHKIK-UHFFFAOYSA-N 1 0 399.455 2.176 20 0 GEADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825416089 607720884 /nfs/dbraw/zinc/72/08/84/607720884.db2.gz HDDJBMMSVOIYRI-UHFFFAOYSA-N 1 0 393.455 2.139 20 0 GEADRO O=C(C[N@@H+](CCO)C1CCOCC1)Nc1c(F)cc(F)cc1Br ZINC000444779908 649952365 /nfs/dbraw/zinc/95/23/65/649952365.db2.gz ZLNGWMWPEYEYBR-UHFFFAOYSA-N 1 0 393.228 2.139 20 0 GEADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000833625548 605135077 /nfs/dbraw/zinc/13/50/77/605135077.db2.gz MZCJNTZWCRVGDA-PKOBYXMFSA-N 1 0 388.512 2.014 20 0 GEADRO Cc1ccc([C@@H](C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)N2CCOCC2)cc1 ZINC000833749469 605219044 /nfs/dbraw/zinc/21/90/44/605219044.db2.gz SCKKEXVJJPAQQL-OAQYLSRUSA-N 1 0 389.540 2.287 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@@H+]1CCC(=O)[O-] 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GVACQNZGPQELCR-JTQLQIEISA-N 1 0 375.839 2.383 20 0 GEADRO CC(C)n1ccnc1CN1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824377511 608391652 /nfs/dbraw/zinc/39/16/52/608391652.db2.gz GXCHLYKAFLXKKX-UHFFFAOYSA-N 1 0 398.490 2.491 20 0 GEADRO c1cc(-c2nn[nH]n2)c(NCCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000826512699 608416161 /nfs/dbraw/zinc/41/61/61/608416161.db2.gz KKOXKHJDDVBQDF-UHFFFAOYSA-N 1 0 379.468 2.391 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C[N@@H+]1C1CC1 ZINC000824893252 608419315 /nfs/dbraw/zinc/41/93/15/608419315.db2.gz PTPCWQQESNABFU-RDTXWAMCSA-N 1 0 393.495 2.291 20 0 GEADRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cccc(-c3nn[nH]n3)c2F)cc1 ZINC000826284403 608429978 /nfs/dbraw/zinc/42/99/78/608429978.db2.gz SEAWTKIFSYGWPJ-LJQANCHMSA-N 1 0 396.470 2.477 20 0 GEADRO Fc1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826374652 608430027 /nfs/dbraw/zinc/43/00/27/608430027.db2.gz HRPVLBFFWUCIIW-LJQANCHMSA-N 1 0 382.443 2.169 20 0 GEADRO COc1ccc([C@@H](CCO)[NH2+]CCCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826188577 608431875 /nfs/dbraw/zinc/43/18/75/608431875.db2.gz AXDLATAAQBMLBE-LJQANCHMSA-N 1 0 383.452 2.358 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CCN1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000826034459 608449607 /nfs/dbraw/zinc/44/96/07/608449607.db2.gz RGRIUVZXWWFROJ-MRXNPFEDSA-N 1 0 392.511 2.021 20 0 GEADRO CCCCCn1cc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c(C)n1 ZINC000825281405 608451504 /nfs/dbraw/zinc/45/15/04/608451504.db2.gz DDTOXGMUAOWDMH-UHFFFAOYSA-N 1 0 379.472 2.499 20 0 GEADRO CC(C)([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1CCCCC1 ZINC000824166918 608457880 /nfs/dbraw/zinc/45/78/80/608457880.db2.gz MHAXGPKAENONGB-UHFFFAOYSA-N 1 0 386.500 2.310 20 0 GEADRO CC(C)([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1CCCC1 ZINC000824167700 608458029 /nfs/dbraw/zinc/45/80/29/608458029.db2.gz SHXALJKDAQXXKS-UHFFFAOYSA-N 1 0 386.500 2.310 20 0 GEADRO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825605324 608463953 /nfs/dbraw/zinc/46/39/53/608463953.db2.gz VDPRLELVOIPCLU-OAHLLOKOSA-N 1 0 394.479 2.370 20 0 GEADRO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826219952 608467012 /nfs/dbraw/zinc/46/70/12/608467012.db2.gz XAADOQFRAWYRJT-CQSZACIVSA-N 1 0 380.452 2.185 20 0 GEADRO CN(C)C(=O)C[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825839978 608473379 /nfs/dbraw/zinc/47/33/79/608473379.db2.gz MGLGDHBKHFQRLS-IBGZPJMESA-N 1 0 394.479 2.445 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825458775 608474959 /nfs/dbraw/zinc/47/49/59/608474959.db2.gz FTMLUKJELILWHP-GOSISDBHSA-N 1 0 397.552 2.315 20 0 GEADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826211113 608485151 /nfs/dbraw/zinc/48/51/51/608485151.db2.gz PSZBYQJMEURSFD-GFCCVEGCSA-N 1 0 382.424 2.173 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCCc1c(F)cccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000824562070 608485660 /nfs/dbraw/zinc/48/56/60/608485660.db2.gz CNPIDZWBTFGVGE-GFCCVEGCSA-N 1 0 386.406 2.154 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554968 608489110 /nfs/dbraw/zinc/48/91/10/608489110.db2.gz UCFBSEPQYYMDKF-RISCZKNCSA-N 1 0 382.390 2.318 20 0 GEADRO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826218764 608489955 /nfs/dbraw/zinc/48/99/55/608489955.db2.gz KMLRFXGCHUVJKD-KBPBESRZSA-N 1 0 380.452 2.403 20 0 GEADRO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000825296710 608490009 /nfs/dbraw/zinc/49/00/09/608490009.db2.gz TZHAGSWPRWGGQY-LLVKDONJSA-N 1 0 386.485 2.350 20 0 GEADRO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826290990 608490033 /nfs/dbraw/zinc/49/00/33/608490033.db2.gz KDNJYYKMJLDUAY-CQSZACIVSA-N 1 0 393.451 2.482 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)ccc1OCCO ZINC000826179591 608502141 /nfs/dbraw/zinc/50/21/41/608502141.db2.gz VQSPYYRGFFGWSM-SFHVURJKSA-N 1 0 395.463 2.414 20 0 GEADRO c1cnc(N2CCC[C@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)nc1 ZINC000826525330 608503016 /nfs/dbraw/zinc/50/30/16/608503016.db2.gz FSDACOBPXIBUAK-FUHWJXTLSA-N 1 0 376.468 2.293 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)COc1cccc(F)c1 ZINC000826503482 608504694 /nfs/dbraw/zinc/50/46/94/608504694.db2.gz YRVFREQDJQHARS-QFBILLFUSA-N 1 0 383.427 2.413 20 0 GEADRO COc1cc(F)c([C@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826179771 608526892 /nfs/dbraw/zinc/52/68/92/608526892.db2.gz DCZXBKQBONUNHB-ZBEGNZNMSA-N 1 0 387.415 2.407 20 0 GEADRO C[C@@H](NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(F)cc1 ZINC000824478801 608528675 /nfs/dbraw/zinc/52/86/75/608528675.db2.gz IRNIVFBJVYQHRB-CYBMUJFWSA-N 1 0 380.427 2.462 20 0 GEADRO CC(C)(C)c1cc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)on1 ZINC000824130906 608531796 /nfs/dbraw/zinc/53/17/96/608531796.db2.gz RUPPTMDZHFVNNH-UHFFFAOYSA-N 1 0 381.440 2.370 20 0 GEADRO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824255640 608532248 /nfs/dbraw/zinc/53/22/48/608532248.db2.gz RGDVEPGXPQPJQP-UHFFFAOYSA-N 1 0 396.417 2.492 20 0 GEADRO Cc1ccccc1CN(C)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826306550 608532660 /nfs/dbraw/zinc/53/26/60/608532660.db2.gz CQVDBHRBPVWCSY-UHFFFAOYSA-N 1 0 376.464 2.412 20 0 GEADRO CC[C@H](CSC)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825126055 608538349 /nfs/dbraw/zinc/53/83/49/608538349.db2.gz HAVDRKVCXUUMOP-MRXNPFEDSA-N 1 0 391.545 2.082 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(-n2cccn2)cc1 ZINC000824562306 608550709 /nfs/dbraw/zinc/55/07/09/608550709.db2.gz FHCBKBDXAQCGTM-GFCCVEGCSA-N 1 0 394.464 2.403 20 0 GEADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)cs3)C2)nc1 ZINC000826290259 608560071 /nfs/dbraw/zinc/56/00/71/608560071.db2.gz HEBQYRZBZPHDFG-CYBMUJFWSA-N 1 0 383.481 2.482 20 0 GEADRO C[S@](=O)C[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826224468 608579620 /nfs/dbraw/zinc/57/96/20/608579620.db2.gz FEYPXINHYMBKRV-CLYVBNDRSA-N 1 0 385.493 2.345 20 0 GEADRO C[S@@](=O)C[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826224782 608580106 /nfs/dbraw/zinc/58/01/06/608580106.db2.gz LOLFNZQMYQXOMI-DNOBIOAJSA-N 1 0 385.493 2.345 20 0 GEADRO COc1ccc([C@H](C)C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826187810 608581085 /nfs/dbraw/zinc/58/10/85/608581085.db2.gz FXSWOBDTEYKANI-OAHLLOKOSA-N 1 0 379.468 2.196 20 0 GEADRO CC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1 ZINC000824000149 608594192 /nfs/dbraw/zinc/59/41/92/608594192.db2.gz WJCVDLAOUKRVIV-UHFFFAOYSA-N 1 0 395.442 2.286 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000824974699 608594388 /nfs/dbraw/zinc/59/43/88/608594388.db2.gz DGNKHLYUCVUGNM-KBPBESRZSA-N 1 0 393.451 2.219 20 0 GEADRO C[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@@H]1OCCc2ccccc21 ZINC000825991523 608625184 /nfs/dbraw/zinc/62/51/84/608625184.db2.gz DMTNSEYYGORABB-SFHVURJKSA-N 1 0 375.436 2.260 20 0 GEADRO C[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@H]1OCCc2ccccc21 ZINC000825991522 608625486 /nfs/dbraw/zinc/62/54/86/608625486.db2.gz DMTNSEYYGORABB-GOSISDBHSA-N 1 0 375.436 2.260 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826231763 608636858 /nfs/dbraw/zinc/63/68/58/608636858.db2.gz YOMNNHWUECANEE-MNOVXSKESA-N 1 0 387.513 2.026 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826231764 608636864 /nfs/dbraw/zinc/63/68/64/608636864.db2.gz YOMNNHWUECANEE-QWRGUYRKSA-N 1 0 387.513 2.026 20 0 GEADRO Cc1sc(NC(=O)C[N@@H+]2CCC[C@]2(C)CCCO)c(-c2nn[nH]n2)c1C ZINC000826349814 608642914 /nfs/dbraw/zinc/64/29/14/608642914.db2.gz VRGHWMFWSBQHAI-QGZVFWFLSA-N 1 0 378.502 2.111 20 0 GEADRO Cc1cc(C)n([C@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)n1 ZINC000826265073 608690740 /nfs/dbraw/zinc/69/07/40/608690740.db2.gz LBDOAEBXZXTAPH-INIZCTEOSA-N 1 0 377.456 2.165 20 0 GEADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000446371395 649979241 /nfs/dbraw/zinc/97/92/41/649979241.db2.gz WHMWQOPFXUCSPA-XTQGRXLLSA-N 1 0 388.295 2.416 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C12CCC2 ZINC000825581499 609167275 /nfs/dbraw/zinc/16/72/75/609167275.db2.gz BRSYBYXQUBKKFS-FGTMMUONSA-N 1 0 396.495 2.299 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C12CCC2 ZINC000825581500 609167340 /nfs/dbraw/zinc/16/73/40/609167340.db2.gz BRSYBYXQUBKKFS-KZNAEPCWSA-N 1 0 396.495 2.299 20 0 GEADRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825415574 609186101 /nfs/dbraw/zinc/18/61/01/609186101.db2.gz CMQPGYAQQSRSSH-IBGZPJMESA-N 1 0 394.479 2.058 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000826519464 609188946 /nfs/dbraw/zinc/18/89/46/609188946.db2.gz ZOASYYNNMWELAR-MRXNPFEDSA-N 1 0 383.456 2.070 20 0 GEADRO 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O=C(NCCc1ccc(Br)cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458396772 650402109 /nfs/dbraw/zinc/40/21/09/650402109.db2.gz MHOOFQQJFYYOCB-INIZCTEOSA-N 1 0 384.318 2.138 20 0 GEADRO Cc1cccc(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1Br ZINC000458676111 650406819 /nfs/dbraw/zinc/40/68/19/650406819.db2.gz BLZSQKISQPUQDJ-HNNXBMFYSA-N 1 0 384.318 2.404 20 0 GEADRO Cc1cccc(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1Br ZINC000458676113 650407041 /nfs/dbraw/zinc/40/70/41/650407041.db2.gz BLZSQKISQPUQDJ-OAHLLOKOSA-N 1 0 384.318 2.404 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000458687884 650407635 /nfs/dbraw/zinc/40/76/35/650407635.db2.gz MOKNJHNGNPMIDI-OKILXGFUSA-N 1 0 384.318 2.354 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000458833884 650411479 /nfs/dbraw/zinc/41/14/79/650411479.db2.gz BPFHNUSWJSJKST-INIZCTEOSA-N 1 0 390.311 2.438 20 0 GEADRO COC(=O)[C@]1(C)C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000503217639 650416285 /nfs/dbraw/zinc/41/62/85/650416285.db2.gz OQKGLSXEQJTNES-HACGYAERSA-N 1 0 386.286 2.320 20 0 GEADRO CC(C)(CNC(=O)NCCCn1cc(Br)cn1)C[NH+]1CCCC1 ZINC000503091755 650414472 /nfs/dbraw/zinc/41/44/72/650414472.db2.gz IAROZDKOSOBSSL-UHFFFAOYSA-N 1 0 386.338 2.457 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)NCCn1cc(Br)ccc1=O ZINC000458932931 650414874 /nfs/dbraw/zinc/41/48/74/650414874.db2.gz WBMHHYYFCIIEAJ-UHFFFAOYSA-N 1 0 399.333 2.128 20 0 GEADRO C[NH+](C)C[C@H]1CN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)CCO1 ZINC000458939660 650415141 /nfs/dbraw/zinc/41/51/41/650415141.db2.gz KMHYWURNEDNWJE-ZDUSSCGKSA-N 1 0 376.284 2.344 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)COc3ccc(Br)cc3)[C@H]2C1 ZINC000502660300 650409879 /nfs/dbraw/zinc/40/98/79/650409879.db2.gz JPKPWAQDHCVQQK-JKSUJKDBSA-N 1 0 383.286 2.150 20 0 GEADRO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O)c1ccc(Br)cc1 ZINC000503524084 650419245 /nfs/dbraw/zinc/41/92/45/650419245.db2.gz UIXREEXAYANUGR-IUODEOHRSA-N 1 0 382.302 2.356 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1cccc(Br)c1 ZINC000459154661 650419884 /nfs/dbraw/zinc/41/98/84/650419884.db2.gz TWRXLYRVACPQMW-AWEZNQCLSA-N 1 0 398.345 2.478 20 0 GEADRO O=C(NCCc1cccc(Br)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000459154616 650419904 /nfs/dbraw/zinc/41/99/04/650419904.db2.gz SYAPYXSJUGQOID-MRXNPFEDSA-N 1 0 384.318 2.138 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000503597665 650420398 /nfs/dbraw/zinc/42/03/98/650420398.db2.gz JFARWAFELDPMJK-GJZGRUSLSA-N 1 0 387.571 2.186 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)s1 ZINC000503964694 650424769 /nfs/dbraw/zinc/42/47/69/650424769.db2.gz VGPQWPRQSKIVJK-UHFFFAOYSA-N 1 0 375.560 2.124 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459543100 650427971 /nfs/dbraw/zinc/42/79/71/650427971.db2.gz BNSLZHCGSNIMBY-UHFFFAOYSA-N 1 0 380.901 2.384 20 0 GEADRO CC(=O)N1CCC([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459700050 650429866 /nfs/dbraw/zinc/42/98/66/650429866.db2.gz MJOLEOUYSWDFPF-CQSZACIVSA-N 1 0 387.293 2.340 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[NH2+]C1(CO)CCSCC1 ZINC000459701899 650429883 /nfs/dbraw/zinc/42/98/83/650429883.db2.gz CWOJENWSASJQEN-UHFFFAOYSA-N 1 0 387.343 2.255 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000504820952 650432569 /nfs/dbraw/zinc/43/25/69/650432569.db2.gz VADPJDKEPNNZFL-XFJVYGCCSA-N 1 0 382.302 2.407 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000459883980 650434574 /nfs/dbraw/zinc/43/45/74/650434574.db2.gz FWOLDTIKKZRYEA-MRXNPFEDSA-N 1 0 377.535 2.304 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)C2)C1 ZINC000505528264 650438555 /nfs/dbraw/zinc/43/85/55/650438555.db2.gz PHDKIWPCJUZXBB-KRWDZBQOSA-N 1 0 385.917 2.269 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000460264149 650440965 /nfs/dbraw/zinc/44/09/65/650440965.db2.gz WDHNLDBYGMSAPJ-SFHVURJKSA-N 1 0 396.329 2.237 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc(Br)cc32)C[C@H]1C ZINC000461234195 650451248 /nfs/dbraw/zinc/45/12/48/650451248.db2.gz PROSZJKHUAQVPL-NEPJUHHUSA-N 1 0 380.286 2.458 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](S(C)(=O)=O)CC1)CC(C)C ZINC000507053895 650454129 /nfs/dbraw/zinc/45/41/29/650454129.db2.gz MVOMUPLCJMIDTI-IRXDYDNUSA-N 1 0 375.579 2.352 20 0 GEADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)cc1 ZINC000507210691 650456308 /nfs/dbraw/zinc/45/63/08/650456308.db2.gz KOWGBPMIMLIIPL-HEHGZKQESA-N 1 0 385.555 2.041 20 0 GEADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CSC[C@@H]2C)cc1 ZINC000507210693 650456373 /nfs/dbraw/zinc/45/63/73/650456373.db2.gz KOWGBPMIMLIIPL-XEZPLFJOSA-N 1 0 385.555 2.041 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000461634061 650457493 /nfs/dbraw/zinc/45/74/93/650457493.db2.gz BPYYNHYXSRBLHI-ZDUSSCGKSA-N 1 0 384.318 2.416 20 0 GEADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000507517155 650462050 /nfs/dbraw/zinc/46/20/50/650462050.db2.gz XSRVSOLGMQBIMM-IAGOWNOFSA-N 1 0 375.579 2.078 20 0 GEADRO C[C@@H]1[C@H](NS(=O)(=O)CCc2ccccc2Br)CCC[N@@H+]1C ZINC000462060253 650465356 /nfs/dbraw/zinc/46/53/56/650465356.db2.gz QBQABONXSFXPHV-IUODEOHRSA-N 1 0 375.332 2.394 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000462120054 650470001 /nfs/dbraw/zinc/47/00/01/650470001.db2.gz HPDPZRYMQBIDMC-UHFFFAOYSA-N 1 0 397.317 2.086 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000462160156 650471826 /nfs/dbraw/zinc/47/18/26/650471826.db2.gz AJEKMEWLUTYGLD-NSHDSACASA-N 1 0 376.270 2.263 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000462469765 650480995 /nfs/dbraw/zinc/48/09/95/650480995.db2.gz REYWTXGQXJOBID-JKSUJKDBSA-N 1 0 389.587 2.246 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000462502331 650482247 /nfs/dbraw/zinc/48/22/47/650482247.db2.gz OJBSBGVPJHEKTP-ONGXEEELSA-N 1 0 377.869 2.199 20 0 GEADRO C[NH+](C)[C@@H](CNc1ncnc2ccc(I)cc21)C1CC1 ZINC000462826791 650490767 /nfs/dbraw/zinc/49/07/67/650490767.db2.gz TWJWLDQIGUTIER-AWEZNQCLSA-N 1 0 382.249 2.987 20 0 GEADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1csc(I)c1 ZINC000462877930 650492090 /nfs/dbraw/zinc/49/20/90/650492090.db2.gz JBUBKRFFLHPEAB-WDEREUQCSA-N 1 0 376.263 2.471 20 0 GEADRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(Br)cc1OCCCO ZINC000463360096 650494013 /nfs/dbraw/zinc/49/40/13/650494013.db2.gz ICUGIHCFKWOMHL-LBPRGKRZSA-N 1 0 394.331 2.296 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000509592013 650496644 /nfs/dbraw/zinc/49/66/44/650496644.db2.gz MAFQDFCUVVKEBJ-QWRGUYRKSA-N 1 0 388.331 2.134 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000467095753 650502524 /nfs/dbraw/zinc/50/25/24/650502524.db2.gz VLKFCQWXRAXPQO-ABAIWWIYSA-N 1 0 380.286 2.295 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H](C)S(C)(=O)=O ZINC000468085586 650503537 /nfs/dbraw/zinc/50/35/37/650503537.db2.gz JHAGZCARBKJJTJ-CABCVRRESA-N 1 0 384.567 2.286 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C(C)C ZINC000469496021 650510733 /nfs/dbraw/zinc/51/07/33/650510733.db2.gz ORIIWCDPNDXUNU-HUUCEWRRSA-N 1 0 375.604 2.124 20 0 GEADRO CC[NH+]1CCN(CC(=O)Nc2ccc(CN(C)C)c(Br)c2)CC1 ZINC000469494654 650510749 /nfs/dbraw/zinc/51/07/49/650510749.db2.gz WFXQPVUZXIDSTJ-UHFFFAOYSA-N 1 0 383.334 2.087 20 0 GEADRO COCCN(C)CCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468907572 650507658 /nfs/dbraw/zinc/50/76/58/650507658.db2.gz JDNDBUQAVKKWCS-UHFFFAOYSA-N 1 0 390.933 2.375 20 0 GEADRO CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000468931457 650508526 /nfs/dbraw/zinc/50/85/26/650508526.db2.gz KSYAMKHELBDPSC-SFHVURJKSA-N 1 0 377.595 2.014 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000510723191 650518276 /nfs/dbraw/zinc/51/82/76/650518276.db2.gz YIHKLSJFZOROET-UHFFFAOYSA-N 1 0 393.285 2.457 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000472051092 650518988 /nfs/dbraw/zinc/51/89/88/650518988.db2.gz DQRXZQZTRJGHFW-UHFFFAOYSA-N 1 0 387.571 2.461 20 0 GEADRO C[C@@H](CC(=O)N(C)C)[NH2+]CCOc1ccc(I)cc1 ZINC000511050578 650524089 /nfs/dbraw/zinc/52/40/89/650524089.db2.gz PJTURPRTOHQYCC-NSHDSACASA-N 1 0 376.238 2.126 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC000511128874 650527681 /nfs/dbraw/zinc/52/76/81/650527681.db2.gz CDIUGIWYSYHRRT-UHFFFAOYSA-N 1 0 375.579 2.353 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000474107362 650527978 /nfs/dbraw/zinc/52/79/78/650527978.db2.gz YALWPNFULYYSOP-GHMZBOCLSA-N 1 0 377.304 2.219 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccsc1Br ZINC000511404329 650535952 /nfs/dbraw/zinc/53/59/52/650535952.db2.gz KFVXTOPMASAYMW-GFCCVEGCSA-N 1 0 376.320 2.421 20 0 GEADRO Ic1cnc(C[NH2+]CCCOC[C@H]2CCOC2)s1 ZINC000512047263 650544666 /nfs/dbraw/zinc/54/46/66/650544666.db2.gz YLLATVLUSJAJNC-SNVBAGLBSA-N 1 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378.441 2.200 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)[N@H+]1C ZINC000513088633 650557734 /nfs/dbraw/zinc/55/77/34/650557734.db2.gz KMRPHPJLAADHDX-ZENOOKHLSA-N 1 0 394.313 2.353 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C[C@H](C)[N@H+]1C ZINC000513164643 650559153 /nfs/dbraw/zinc/55/91/53/650559153.db2.gz IMJSMCPMHZWTJK-MJBXVCDLSA-N 1 0 394.313 2.353 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000476780570 650559741 /nfs/dbraw/zinc/55/97/41/650559741.db2.gz VUFWSWUTPFKQGN-NSHDSACASA-N 1 0 388.281 2.051 20 0 GEADRO CO[C@@H](C)C[N@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000513329686 650561462 /nfs/dbraw/zinc/56/14/62/650561462.db2.gz PNXLTMILFHPCPC-LBPRGKRZSA-N 1 0 375.300 2.004 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000477166996 650570211 /nfs/dbraw/zinc/57/02/11/650570211.db2.gz UQFSEFWUEJJJEJ-JTQLQIEISA-N 1 0 378.274 2.374 20 0 GEADRO CN1CCN(C(=O)CC[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)CC1 ZINC000513884878 650570762 /nfs/dbraw/zinc/57/07/62/650570762.db2.gz GSNICPRZNFBJNV-SJLPKXTDSA-N 1 0 386.323 2.047 20 0 GEADRO CC[C@@H](C(=O)NCCOc1ccc(I)cc1)[NH+](C)C ZINC000513859430 650570795 /nfs/dbraw/zinc/57/07/95/650570795.db2.gz LQRZCLPWGBKETH-ZDUSSCGKSA-N 1 0 376.238 2.126 20 0 GEADRO CC[C@H](C(=O)NCCOc1ccc(I)cc1)[NH+](C)C ZINC000513859429 650570806 /nfs/dbraw/zinc/57/08/06/650570806.db2.gz LQRZCLPWGBKETH-CYBMUJFWSA-N 1 0 376.238 2.126 20 0 GEADRO CN1CCN(C(=O)CC[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC1 ZINC000513884879 650571035 /nfs/dbraw/zinc/57/10/35/650571035.db2.gz GSNICPRZNFBJNV-WMZOPIPTSA-N 1 0 386.323 2.047 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000514137508 650573742 /nfs/dbraw/zinc/57/37/42/650573742.db2.gz GSTQCVFQEAQZMC-ZDUSSCGKSA-N 1 0 381.325 2.069 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1CC(F)(F)F ZINC000477474351 650574767 /nfs/dbraw/zinc/57/47/67/650574767.db2.gz IFPRUWXSGINOLH-ZDUSSCGKSA-N 1 0 379.448 2.005 20 0 GEADRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)CCc2cccs2)cc1 ZINC000477500757 650575032 /nfs/dbraw/zinc/57/50/32/650575032.db2.gz QCGWYHBBOBTOEO-UHFFFAOYSA-N 1 0 382.551 2.393 20 0 GEADRO C[C@@H](NC(=O)C[C@H](C)c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000514614571 650575078 /nfs/dbraw/zinc/57/50/78/650575078.db2.gz LMPWHFRRADHXQX-QWHCGFSZSA-N 1 0 384.318 2.125 20 0 GEADRO O=C1[C@H](N2CCN([C@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000514726537 650577937 /nfs/dbraw/zinc/57/79/37/650577937.db2.gz CZEOSCUEGFOBSN-WMLDXEAASA-N 1 0 383.323 2.078 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000514858416 650581265 /nfs/dbraw/zinc/58/12/65/650581265.db2.gz XGIRDLWUYURKNP-LSDHHAIUSA-N 1 0 381.274 2.117 20 0 GEADRO O[C@@H](C[NH2+]CCCN1CCC(O)CC1)COc1ccc(Cl)cc1Cl ZINC000514861652 650581539 /nfs/dbraw/zinc/58/15/39/650581539.db2.gz NOEYYKTZHKEHQS-HNNXBMFYSA-N 1 0 377.312 2.170 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000514863038 650581730 /nfs/dbraw/zinc/58/17/30/650581730.db2.gz ODCJIIRQIVAIOM-WDEREUQCSA-N 1 0 391.331 2.243 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000514900178 650582983 /nfs/dbraw/zinc/58/29/83/650582983.db2.gz POEDAQVNJJZXKM-RISCZKNCSA-N 1 0 380.286 2.333 20 0 GEADRO CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)CCC2 ZINC000515013491 650584606 /nfs/dbraw/zinc/58/46/06/650584606.db2.gz GIADIUKTXIUZCM-ZIAGYGMSSA-N 1 0 386.587 2.333 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)nc1SCC(=O)NCCC[NH+](C)C ZINC000478712385 650590462 /nfs/dbraw/zinc/59/04/62/650590462.db2.gz HSMZJKDGFHYFLE-UHFFFAOYSA-N 1 0 379.404 2.047 20 0 GEADRO COC1(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000515302021 650591330 /nfs/dbraw/zinc/59/13/30/650591330.db2.gz HGBQCBLFIWILCO-UHFFFAOYSA-N 1 0 393.285 2.401 20 0 GEADRO CC1(CNC(=O)COc2cccc(I)c2)CC[NH2+]CC1 ZINC000515338904 650591868 /nfs/dbraw/zinc/59/18/68/650591868.db2.gz QBQSDOAJDWZQSF-UHFFFAOYSA-N 1 0 388.249 2.176 20 0 GEADRO CS(=O)(=O)NCCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000478840484 650591886 /nfs/dbraw/zinc/59/18/86/650591886.db2.gz ATBQUHZIUUDPGI-UHFFFAOYSA-N 1 0 389.237 2.497 20 0 GEADRO CC[N@H+](CCNC(=O)N(CCO)Cc1ccc(Br)s1)C1CC1 ZINC000478884046 650592294 /nfs/dbraw/zinc/59/22/94/650592294.db2.gz BURGBSGASVAVLG-UHFFFAOYSA-N 1 0 390.347 2.499 20 0 GEADRO C[N@@H+]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1(C)C ZINC000516580321 650599543 /nfs/dbraw/zinc/59/95/43/650599543.db2.gz GAGCRMSBSMRMAP-CQSZACIVSA-N 1 0 375.282 2.354 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)CCc2nc3cc(Br)ccc3s2)C[C@@H]1O ZINC000515867481 650595067 /nfs/dbraw/zinc/59/50/67/650595067.db2.gz UMDODHQJFHGLLE-STQMWFEESA-N 1 0 398.326 2.125 20 0 GEADRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479053285 650595106 /nfs/dbraw/zinc/59/51/06/650595106.db2.gz FCAXPFMSEVNGPV-GHMZBOCLSA-N 1 0 396.340 2.012 20 0 GEADRO C[C@H]([NH2+]CCN1CCSCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479064088 650595534 /nfs/dbraw/zinc/59/55/34/650595534.db2.gz GCLXBKUFJJDBDR-JTQLQIEISA-N 1 0 398.381 2.340 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)CN(C)C ZINC000479070971 650595549 /nfs/dbraw/zinc/59/55/49/650595549.db2.gz QVIPTNBROMNCNS-IUODEOHRSA-N 1 0 376.282 2.124 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000516326099 650596490 /nfs/dbraw/zinc/59/64/90/650596490.db2.gz CPLSVSHTAQAMLF-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000516491796 650597394 /nfs/dbraw/zinc/59/73/94/650597394.db2.gz LPSDYPMPMIFUMI-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000518711436 650606746 /nfs/dbraw/zinc/60/67/46/650606746.db2.gz XOEUISREVYAMKK-CYBMUJFWSA-N 1 0 398.301 2.456 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000518187849 650602467 /nfs/dbraw/zinc/60/24/67/650602467.db2.gz MSPPSDKOJRWZRV-UHFFFAOYSA-N 1 0 393.285 2.049 20 0 GEADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000518385949 650604343 /nfs/dbraw/zinc/60/43/43/650604343.db2.gz AHJPCJIUAWHXIH-JTQLQIEISA-N 1 0 382.404 2.288 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000518518898 650605617 /nfs/dbraw/zinc/60/56/17/650605617.db2.gz IJNQSVDAKWEVSR-BCLQGDPASA-N 1 0 375.918 2.273 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)c(Cl)c1 ZINC000518770634 650607476 /nfs/dbraw/zinc/60/74/76/650607476.db2.gz YHDMKAOXVLOJSY-JTQLQIEISA-N 1 0 376.759 2.217 20 0 GEADRO [NH3+]C1(CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCC1 ZINC000518766526 650607551 /nfs/dbraw/zinc/60/75/51/650607551.db2.gz KPWCRJZWDPQWRB-UHFFFAOYSA-N 1 0 394.313 2.299 20 0 GEADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)CCN2C1=O ZINC000518797193 650608332 /nfs/dbraw/zinc/60/83/32/650608332.db2.gz NHKDBUXVADHEAN-KOLCDFICSA-N 1 0 376.766 2.135 20 0 GEADRO [NH3+][C@@H]1C[C@@H]2CN(c3ccnc4c(Cl)cc(Br)cc34)CCN2C1=O ZINC000519616361 650609675 /nfs/dbraw/zinc/60/96/75/650609675.db2.gz SJYBCZLFEFFBIQ-ZWNOBZJWSA-N 1 0 395.688 2.399 20 0 GEADRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)C1 ZINC000479778834 650609818 /nfs/dbraw/zinc/60/98/18/650609818.db2.gz QNRZBKRORHLPQJ-XYPYZODXSA-N 1 0 388.312 2.341 20 0 GEADRO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccccc1I ZINC000519716340 650611407 /nfs/dbraw/zinc/61/14/07/650611407.db2.gz YEYKBLBCHCYMHC-INIZCTEOSA-N 1 0 399.276 2.305 20 0 GEADRO CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)C1(C)C ZINC000519733787 650612201 /nfs/dbraw/zinc/61/22/01/650612201.db2.gz WZCHYUOILXRNRT-IXDOHACOSA-N 1 0 375.579 2.077 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)C[C@H]3COCCN3)C2=O)ccc1Br ZINC000521423706 650617361 /nfs/dbraw/zinc/61/73/61/650617361.db2.gz IPZTWPKFRXVEMI-KEYYUXOJSA-N 1 0 396.329 2.219 20 0 GEADRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(OC)cc1Br ZINC000480311707 650619769 /nfs/dbraw/zinc/61/97/69/650619769.db2.gz SHEWNEHMPOODGQ-UHFFFAOYSA-N 1 0 379.320 2.468 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(OC)cc1Br ZINC000480331712 650619847 /nfs/dbraw/zinc/61/98/47/650619847.db2.gz HPJSTSXIMXFMKD-UHFFFAOYSA-N 1 0 379.320 2.420 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000522171108 650623121 /nfs/dbraw/zinc/62/31/21/650623121.db2.gz ITLURRCBPNGQAP-OAHLLOKOSA-N 1 0 382.302 2.088 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1ccc(Br)cc1 ZINC000522689664 650626795 /nfs/dbraw/zinc/62/67/95/650626795.db2.gz MJWXJTJEDZHLSE-GOEBONIOSA-N 1 0 390.285 2.024 20 0 GEADRO CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1CC1 ZINC000523612146 650636766 /nfs/dbraw/zinc/63/67/66/650636766.db2.gz AVDSSZPGGWPNPL-ZDUSSCGKSA-N 1 0 394.313 2.403 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC2CCSCC2)cc1Cl ZINC000524205798 650639123 /nfs/dbraw/zinc/63/91/23/650639123.db2.gz JJPCYDDLDCRCRC-UHFFFAOYSA-N 1 0 385.917 2.231 20 0 GEADRO CC[N@H+](CCNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000524210365 650639368 /nfs/dbraw/zinc/63/93/68/650639368.db2.gz YQJRPUZYRBIDNN-UHFFFAOYSA-N 1 0 375.922 2.143 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000524262896 650639895 /nfs/dbraw/zinc/63/98/95/650639895.db2.gz RXMGEHWOUGYJGS-GFCCVEGCSA-N 1 0 388.295 2.076 20 0 GEADRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000481421423 650646258 /nfs/dbraw/zinc/64/62/58/650646258.db2.gz CRKPUWPIIRRIEM-ZANVPECISA-N 1 0 381.782 2.394 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)COc2ccc(I)cc2)C1 ZINC000525291718 650653052 /nfs/dbraw/zinc/65/30/52/650653052.db2.gz PAIKHSHBFAUVIZ-GFCCVEGCSA-N 1 0 388.249 2.128 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)COc1ccc(F)cc1Br ZINC000525092937 650649638 /nfs/dbraw/zinc/64/96/38/650649638.db2.gz MYAXTIFHGJPJFT-UHFFFAOYSA-N 1 0 377.254 2.052 20 0 GEADRO COC(=O)CNC(=O)CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481733941 650651737 /nfs/dbraw/zinc/65/17/37/650651737.db2.gz VADZKMGYWLDQTQ-MRXNPFEDSA-N 1 0 387.249 2.308 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000525442777 650655048 /nfs/dbraw/zinc/65/50/48/650655048.db2.gz CATYZBIEJUUIPJ-DLBZAZTESA-N 1 0 375.579 2.352 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(I)ccc1C ZINC000481969153 650657271 /nfs/dbraw/zinc/65/72/71/650657271.db2.gz NKUOHYGRGBVRDN-UHFFFAOYSA-N 1 0 391.253 2.035 20 0 GEADRO CC[C@@H]([NH2+]Cc1cnc(C)[nH]c1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481994242 650657828 /nfs/dbraw/zinc/65/78/28/650657828.db2.gz QSPLRSSDVQTHNE-CQSZACIVSA-N 1 0 384.889 2.293 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)C[C@H]1[NH+]1CCCC1 ZINC000525835691 650658321 /nfs/dbraw/zinc/65/83/21/650658321.db2.gz NKXVFSZGYJTBLC-HZPDHXFCSA-N 1 0 386.587 2.281 20 0 GEADRO Cc1nnc(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000525920466 650660579 /nfs/dbraw/zinc/66/05/79/650660579.db2.gz DVWIGWFDEONZMD-UHFFFAOYSA-N 1 0 377.436 2.451 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000526037839 650663451 /nfs/dbraw/zinc/66/34/51/650663451.db2.gz LBSCZVXAOMXMOT-LBPRGKRZSA-N 1 0 385.277 2.441 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000526041272 650663467 /nfs/dbraw/zinc/66/34/67/650663467.db2.gz AUSYXHRFELOAOT-CHWSQXEVSA-N 1 0 379.448 2.238 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000527205610 650671221 /nfs/dbraw/zinc/67/12/21/650671221.db2.gz SCEFMSOOUFZGCJ-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)cc3c2OCC3)CCC1 ZINC000527327383 650673155 /nfs/dbraw/zinc/67/31/55/650673155.db2.gz CZPDOWRJKNQTBO-UHFFFAOYSA-N 1 0 389.315 2.147 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483351998 650677304 /nfs/dbraw/zinc/67/73/04/650677304.db2.gz JKRPSVLXNGMYON-GJZGRUSLSA-N 1 0 396.329 2.397 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)NCc1cc(Br)cc2c1OCC2 ZINC000527521058 650677620 /nfs/dbraw/zinc/67/76/20/650677620.db2.gz HNRUUFLLJFRSJP-UHFFFAOYSA-N 1 0 380.286 2.445 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H](O)Cc2c(F)cccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000483387890 650677989 /nfs/dbraw/zinc/67/79/89/650677989.db2.gz CIFBDAXDMQNXNF-GVDBMIGSSA-N 1 0 386.920 2.421 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483421724 650678300 /nfs/dbraw/zinc/67/83/00/650678300.db2.gz VLAVDDKYPXKHAP-CVEARBPZSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cncc(Br)c1 ZINC000527957057 650683567 /nfs/dbraw/zinc/68/35/67/650683567.db2.gz RSLLNFCRMZRYOD-CXAGYDPISA-N 1 0 384.318 2.111 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1Br ZINC000483959204 650683619 /nfs/dbraw/zinc/68/36/19/650683619.db2.gz LJXNIONUXYRCGC-PWSUYJOCSA-N 1 0 386.265 2.434 20 0 GEADRO CN1CCN(C)[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527656910 650681341 /nfs/dbraw/zinc/68/13/41/650681341.db2.gz GZPYJUNATWCXDR-LBPRGKRZSA-N 1 0 384.347 2.236 20 0 GEADRO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527659423 650681398 /nfs/dbraw/zinc/68/13/98/650681398.db2.gz FESUVJZBKBGTGY-UHFFFAOYSA-N 1 0 399.308 2.017 20 0 GEADRO COc1cc(Br)c(CNC2(CCO)CC[NH+](C)CC2)cc1OC ZINC000483842728 650682213 /nfs/dbraw/zinc/68/22/13/650682213.db2.gz ZVODZKRWFGRUNS-UHFFFAOYSA-N 1 0 387.318 2.403 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000527768757 650682748 /nfs/dbraw/zinc/68/27/48/650682748.db2.gz RSUAFUAMPSWYPZ-NSHDSACASA-N 1 0 392.244 2.247 20 0 GEADRO Cc1ccc(Br)cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000483887466 650682789 /nfs/dbraw/zinc/68/27/89/650682789.db2.gz NTWXPDBRJXFWMO-INIZCTEOSA-N 1 0 394.313 2.136 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000484252738 650686496 /nfs/dbraw/zinc/68/64/96/650686496.db2.gz FOQYDYLXWSKGKR-NSHDSACASA-N 1 0 398.276 2.030 20 0 GEADRO COc1cc(CNC(=O)[C@@H]2C[C@]2(C)Br)ccc1OCC[NH+](C)C ZINC000528335531 650688980 /nfs/dbraw/zinc/68/89/80/650688980.db2.gz NDVVVYXQCUAVQQ-GUYCJALGSA-N 1 0 385.302 2.425 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)c(Cl)cc21 ZINC000528337320 650689068 /nfs/dbraw/zinc/68/90/68/650689068.db2.gz XBXQLKPFMDUXMG-RISCZKNCSA-N 1 0 385.917 2.010 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O)C1CCS(=O)(=O)CC1 ZINC000527991065 650684032 /nfs/dbraw/zinc/68/40/32/650684032.db2.gz SNHGUTOBIBVDMU-ABAIWWIYSA-N 1 0 388.892 2.387 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000483995875 650684029 /nfs/dbraw/zinc/68/40/29/650684029.db2.gz UYYCCUAGGMDVJI-HZSPNIEDSA-N 1 0 385.302 2.178 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])c(Cl)cc21 ZINC000528044773 650684551 /nfs/dbraw/zinc/68/45/51/650684551.db2.gz ZSJBRBMGROFTFW-ABAIWWIYSA-N 1 0 385.917 2.139 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])c(Cl)cc21 ZINC000528044774 650684567 /nfs/dbraw/zinc/68/45/67/650684567.db2.gz ZSJBRBMGROFTFW-IAQYHMDHSA-N 1 0 385.917 2.139 20 0 GEADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCc3cc(Br)ccc3C2)C[C@@H](C)O1 ZINC000484041005 650684722 /nfs/dbraw/zinc/68/47/22/650684722.db2.gz YPSLYHDWVRQYRA-LBTNJELSSA-N 1 0 383.330 2.277 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000528357378 650690408 /nfs/dbraw/zinc/69/04/08/650690408.db2.gz UIHYRFJMOYOERX-INIZCTEOSA-N 1 0 384.307 2.477 20 0 GEADRO CCOC[C@@H](O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000484169495 650685629 /nfs/dbraw/zinc/68/56/29/650685629.db2.gz KSYLLVWCVCJUKO-GXTWGEPZSA-N 1 0 391.249 2.492 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CCC1 ZINC000484196309 650685928 /nfs/dbraw/zinc/68/59/28/650685928.db2.gz DAZMXGDEKOBBSS-UHFFFAOYSA-N 1 0 398.276 2.078 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484204064 650686196 /nfs/dbraw/zinc/68/61/96/650686196.db2.gz ROTJBMUTBTZVCS-CVEARBPZSA-N 1 0 396.329 2.397 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484204068 650686243 /nfs/dbraw/zinc/68/62/43/650686243.db2.gz ROTJBMUTBTZVCS-HZPDHXFCSA-N 1 0 396.329 2.397 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000528687371 650697830 /nfs/dbraw/zinc/69/78/30/650697830.db2.gz IXGOXTOEWJVLHP-CQSZACIVSA-N 1 0 393.289 2.492 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484939521 650691245 /nfs/dbraw/zinc/69/12/45/650691245.db2.gz SBCGRRJKMXDTQW-QJPTWQEYSA-N 1 0 387.265 2.287 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000528687369 650697868 /nfs/dbraw/zinc/69/78/68/650697868.db2.gz IXGOXTOEWJVLHP-AWEZNQCLSA-N 1 0 393.289 2.492 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1cc(F)c(Br)cc1F ZINC000528632987 650696839 /nfs/dbraw/zinc/69/68/39/650696839.db2.gz IARROFYAACSLHX-QWRGUYRKSA-N 1 0 379.245 2.071 20 0 GEADRO O=C(Nc1cccc(Cl)c1Cl)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000528663559 650697343 /nfs/dbraw/zinc/69/73/43/650697343.db2.gz RPEOKKKPAFBISF-UHFFFAOYSA-N 1 0 386.283 2.168 20 0 GEADRO Cc1cccc(CC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1Br ZINC000528660170 650697350 /nfs/dbraw/zinc/69/73/50/650697350.db2.gz BTSRMQWUJCSGLM-OAHLLOKOSA-N 1 0 381.314 2.481 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(I)cc1Cl ZINC000528671398 650697419 /nfs/dbraw/zinc/69/74/19/650697419.db2.gz UWYDZEHBKWSYOS-SECBINFHSA-N 1 0 395.628 2.055 20 0 GEADRO C[NH+]1CCC(CC(=O)N2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000485697456 650699171 /nfs/dbraw/zinc/69/91/71/650699171.db2.gz BUUZUKMENWBSOM-UHFFFAOYSA-N 1 0 381.318 2.225 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(O)cc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000528928603 650699227 /nfs/dbraw/zinc/69/92/27/650699227.db2.gz DSIPKBRGILYKKB-CXAGYDPISA-N 1 0 396.329 2.253 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000485719467 650699381 /nfs/dbraw/zinc/69/93/81/650699381.db2.gz MMZUOXMGLMYQPZ-GJZGRUSLSA-N 1 0 384.274 2.007 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000485719470 650699399 /nfs/dbraw/zinc/69/93/99/650699399.db2.gz MMZUOXMGLMYQPZ-LSDHHAIUSA-N 1 0 384.274 2.007 20 0 GEADRO C[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Oc1cccc(Br)c1 ZINC000485801276 650700904 /nfs/dbraw/zinc/70/09/04/650700904.db2.gz YXZYHRPDNUZMBI-VXGBXAGGSA-N 1 0 393.285 2.446 20 0 GEADRO CC[C@H]([NH2+]CC(=O)NCCC(=O)OC)c1cc(F)cc(Br)c1 ZINC000485835294 650701198 /nfs/dbraw/zinc/70/11/98/650701198.db2.gz YPQLDKYQUDBSRC-ZDUSSCGKSA-N 1 0 375.238 2.308 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000485831749 650701202 /nfs/dbraw/zinc/70/12/02/650701202.db2.gz VZJRZSAQYVONLI-IUODEOHRSA-N 1 0 384.307 2.476 20 0 GEADRO [NH3+]CC1(NC(=O)N[C@H]2CCOc3c(Br)cccc32)CCOCC1 ZINC000529331486 650702801 /nfs/dbraw/zinc/70/28/01/650702801.db2.gz RZLWEONCMFCBDX-ZDUSSCGKSA-N 1 0 384.274 2.080 20 0 GEADRO C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1cc(F)c(Br)cc1F ZINC000529347914 650703163 /nfs/dbraw/zinc/70/31/63/650703163.db2.gz FESDWXRMPMFQLA-VHSXEESVSA-N 1 0 391.260 2.073 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1nc2ncc(Br)cn2n1 ZINC000529721840 650705111 /nfs/dbraw/zinc/70/51/11/650705111.db2.gz ZESYAJCYTGUVOC-ZDUSSCGKSA-N 1 0 393.289 2.024 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1Br ZINC000529911033 650709286 /nfs/dbraw/zinc/70/92/86/650709286.db2.gz ZPHFBJPDQVYHKQ-UHFFFAOYSA-N 1 0 385.306 2.062 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000530391110 650724501 /nfs/dbraw/zinc/72/45/01/650724501.db2.gz XWSOPGMDYAACBW-JTQLQIEISA-N 1 0 386.265 2.293 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000530920237 650731053 /nfs/dbraw/zinc/73/10/53/650731053.db2.gz YAOJSDMMXHTYOF-GFCCVEGCSA-N 1 0 398.301 2.305 20 0 GEADRO CC[NH+](CC)CCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000487531318 650735213 /nfs/dbraw/zinc/73/52/13/650735213.db2.gz CRFXVRVWBGYZRQ-AWEZNQCLSA-N 1 0 376.270 2.263 20 0 GEADRO O=C(CSc1ccc(Cl)cc1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487646348 650736374 /nfs/dbraw/zinc/73/63/74/650736374.db2.gz CFJPVURMZSPNQG-UHFFFAOYSA-N 1 0 381.929 2.199 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)CCN2C(=O)CSc3ccccc32)CCSC1 ZINC000531362629 650737422 /nfs/dbraw/zinc/73/74/22/650737422.db2.gz MWYWHHOLKFGEJL-GOSISDBHSA-N 1 0 379.551 2.069 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CCSC1 ZINC000531362715 650737476 /nfs/dbraw/zinc/73/74/76/650737476.db2.gz MORVMWLXMPHACB-INIZCTEOSA-N 1 0 390.336 2.277 20 0 GEADRO COC[C@@](C)(O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000531711238 650742910 /nfs/dbraw/zinc/74/29/10/650742910.db2.gz FFIUAKFORVXUPW-ZFWWWQNUSA-N 1 0 391.249 2.492 20 0 GEADRO COC[C@](C)(O)C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000531711937 650743023 /nfs/dbraw/zinc/74/30/23/650743023.db2.gz TWODUTRCBYUPPV-BDJLRTHQSA-N 1 0 383.290 2.386 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCOC[C@H]1C ZINC000531705603 650743062 /nfs/dbraw/zinc/74/30/62/650743062.db2.gz WYQMHDLJBFZOHQ-UONOGXRCSA-N 1 0 384.318 2.477 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000532485059 650748676 /nfs/dbraw/zinc/74/86/76/650748676.db2.gz LWISKEXQCQFJAJ-KBPBESRZSA-N 1 0 384.318 2.477 20 0 GEADRO CCOC[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000532537620 650749688 /nfs/dbraw/zinc/74/96/88/650749688.db2.gz KNFPXUQVXREZHU-AWEZNQCLSA-N 1 0 375.282 2.103 20 0 GEADRO O=c1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)nc2ccc(Br)cn12 ZINC000532545177 650749954 /nfs/dbraw/zinc/74/99/54/650749954.db2.gz UTPCGMKVRAFMQG-OAHLLOKOSA-N 1 0 377.286 2.127 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000532675875 650751916 /nfs/dbraw/zinc/75/19/16/650751916.db2.gz FHLREZUGMDTDQQ-HNNXBMFYSA-N 1 0 380.286 2.378 20 0 GEADRO O=C(CCOc1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488802700 650750707 /nfs/dbraw/zinc/75/07/07/650750707.db2.gz XHGIKJHECQCUBB-OAHLLOKOSA-N 1 0 397.313 2.399 20 0 GEADRO CCCNS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000489107405 650754309 /nfs/dbraw/zinc/75/43/09/650754309.db2.gz PPUAIHKAOVHJGE-UHFFFAOYSA-N 1 0 378.336 2.057 20 0 GEADRO O=C(COC(=O)c1ccccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000028127748 642445470 /nfs/dbraw/zinc/44/54/70/642445470.db2.gz UQSFUADWISRRSN-UHFFFAOYSA-N 1 0 381.270 2.349 20 0 GEADRO NC(=O)c1ccsc1NC(=O)CCN1CC[NH+](Cc2cccs2)CC1 ZINC000028886782 642453975 /nfs/dbraw/zinc/45/39/75/642453975.db2.gz QQIFSNGYOUKKGU-UHFFFAOYSA-N 1 0 378.523 2.055 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2s1 ZINC000489450347 650759201 /nfs/dbraw/zinc/75/92/01/650759201.db2.gz WHCPDOQSWDKPQC-CQSZACIVSA-N 1 0 383.539 2.120 20 0 GEADRO COCC[N@H+](C[C@H](O)COc1cccc(Br)c1)[C@@H]1CCO[C@@H]1C ZINC000489448097 650759203 /nfs/dbraw/zinc/75/92/03/650759203.db2.gz JYSHYOXDWZVMSB-UKPHBRMFSA-N 1 0 388.302 2.315 20 0 GEADRO COc1cc2c(cc1C[NH2+]CCNS(=O)(=O)c1cccs1)O[C@H](C)C2 ZINC000533007601 650755619 /nfs/dbraw/zinc/75/56/19/650755619.db2.gz QYGFWUVAMFESNZ-GFCCVEGCSA-N 1 0 382.507 2.148 20 0 GEADRO O=C1NCCN1[C@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000533033746 650755801 /nfs/dbraw/zinc/75/58/01/650755801.db2.gz KZMPJRFAUMKHNI-QWHCGFSZSA-N 1 0 388.295 2.223 20 0 GEADRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(S(N)(=O)=O)s3)CC2)CC1 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OSMQFJMCHBDBSS-ZFWWWQNUSA-N 1 0 385.339 2.150 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(Br)c2)C[C@H](C)O1 ZINC000041275466 642528189 /nfs/dbraw/zinc/52/81/89/642528189.db2.gz OVJLPNAVMBSBHV-BETUJISGSA-N 1 0 398.301 2.003 20 0 GEADRO Brc1cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc2c1OCCCO2 ZINC000489987122 650765852 /nfs/dbraw/zinc/76/58/52/650765852.db2.gz GUCGSVJMYXGLNL-OAHLLOKOSA-N 1 0 396.329 2.090 20 0 GEADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489990895 650765948 /nfs/dbraw/zinc/76/59/48/650765948.db2.gz RWTIOISDYYWUJB-AWEZNQCLSA-N 1 0 377.279 2.352 20 0 GEADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCCNc1cc[nH+]cc1 ZINC000533809666 650766304 /nfs/dbraw/zinc/76/63/04/650766304.db2.gz KVLDDQDORDLVBY-OAHLLOKOSA-N 1 0 376.869 2.188 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)COc1ccc(I)cc1 ZINC000042158599 642543733 /nfs/dbraw/zinc/54/37/33/642543733.db2.gz FCOLNWKZGUTSAN-UHFFFAOYSA-N 1 0 376.238 2.126 20 0 GEADRO Cc1csc(CC[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)n1 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SBBXKEZBIXABPC-MRXNPFEDSA-N 1 0 396.329 2.066 20 0 GEADRO CC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000495201366 650823787 /nfs/dbraw/zinc/82/37/87/650823787.db2.gz KUVFMYVONPGYKN-NHYWBVRUSA-N 1 0 388.249 2.465 20 0 GEADRO CC[C@]1(O)CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000495202347 650823849 /nfs/dbraw/zinc/82/38/49/650823849.db2.gz NDUVSMDFDILOJP-KRWDZBQOSA-N 1 0 385.302 2.133 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000106893871 643243585 /nfs/dbraw/zinc/24/35/85/643243585.db2.gz FORCTXXRXVQCQM-ZDUSSCGKSA-N 1 0 392.352 2.394 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Br)ccc3O)C2)CC1 ZINC000106921230 643246323 /nfs/dbraw/zinc/24/63/23/643246323.db2.gz LXAUYPYFYMXTHC-AWEZNQCLSA-N 1 0 382.302 2.007 20 0 GEADRO CC(C)[N@@H+](CC(=O)Nc1cccc(I)c1)C[C@@H](C)O ZINC000107043449 643248874 /nfs/dbraw/zinc/24/88/74/643248874.db2.gz MBCGHOWFHKUTAS-LLVKDONJSA-N 1 0 376.238 2.321 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000107217331 643251557 /nfs/dbraw/zinc/25/15/57/643251557.db2.gz JIHVNFMWWOTYTF-ZDUSSCGKSA-N 1 0 386.323 2.404 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000107217351 643251668 /nfs/dbraw/zinc/25/16/68/643251668.db2.gz GYKXDKGKWKAIBG-HUUCEWRRSA-N 1 0 384.307 2.329 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2sccc2SC(F)F)CC1 ZINC000107247984 643252195 /nfs/dbraw/zinc/25/21/95/643252195.db2.gz QAFXBAGKDOCXGT-UHFFFAOYSA-N 1 0 389.493 2.443 20 0 GEADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000107300730 643252905 /nfs/dbraw/zinc/25/29/05/643252905.db2.gz IABVLLAPYLXPBA-CYBMUJFWSA-N 1 0 377.963 2.327 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2csc(I)c2)cn1 ZINC000107473454 643256755 /nfs/dbraw/zinc/25/67/55/643256755.db2.gz IEPZLCHUDXOVPP-UHFFFAOYSA-N 1 0 390.250 2.363 20 0 GEADRO NS(=O)(=O)c1ccc(CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000107910523 643263407 /nfs/dbraw/zinc/26/34/07/643263407.db2.gz YCUKFZALVBVHBI-UHFFFAOYSA-N 1 0 379.913 2.352 20 0 GEADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1ccc(Br)cc1 ZINC000108118331 643265893 /nfs/dbraw/zinc/26/58/93/643265893.db2.gz ZWDSGIXONACLCP-JTQLQIEISA-N 1 0 399.318 2.117 20 0 GEADRO CN(CC(=O)NC[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Br)s1 ZINC000108333746 643271479 /nfs/dbraw/zinc/27/14/79/643271479.db2.gz REHGCTTZHCVCCG-NSHDSACASA-N 1 0 388.331 2.041 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000108345178 643272317 /nfs/dbraw/zinc/27/23/17/643272317.db2.gz GPRNWLXTEHRJCE-KGLIPLIRSA-N 1 0 394.313 2.260 20 0 GEADRO CS[C@H]1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000495713519 650826616 /nfs/dbraw/zinc/82/66/16/650826616.db2.gz QSDIIFFOZHOACJ-KGLIPLIRSA-N 1 0 390.336 2.227 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000108406450 643273162 /nfs/dbraw/zinc/27/31/62/643273162.db2.gz ZFDQAJLFRFJPBS-NSHDSACASA-N 1 0 377.869 2.058 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000495684143 650826743 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C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(Cl)c1 ZINC000110095451 643306452 /nfs/dbraw/zinc/30/64/52/643306452.db2.gz QHQAJAWXIVSPCX-UHFFFAOYSA-N 1 0 376.906 2.234 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000110166623 643308044 /nfs/dbraw/zinc/30/80/44/643308044.db2.gz OAWIAUZTHOFHLY-CQSZACIVSA-N 1 0 381.523 2.031 20 0 GEADRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000110653989 643316289 /nfs/dbraw/zinc/31/62/89/643316289.db2.gz VZOZUKNSVUOUJA-GFCCVEGCSA-N 1 0 378.274 2.020 20 0 GEADRO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)nc1 ZINC000538096895 650829798 /nfs/dbraw/zinc/82/97/98/650829798.db2.gz ZSYSPMIMFBFYGK-HZPDHXFCSA-N 1 0 386.587 2.030 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111319592 643332300 /nfs/dbraw/zinc/33/23/00/643332300.db2.gz QJIGHECONZUTDG-XYPWUTKMSA-N 1 0 397.313 2.274 20 0 GEADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000111357578 643337788 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O=C(C[N@@H+]1CCCSCC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000129354731 643821690 /nfs/dbraw/zinc/82/16/90/643821690.db2.gz NJQZJRBKYCETLM-UHFFFAOYSA-N 1 0 389.352 2.476 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccnc(Br)c1 ZINC000129454679 643822466 /nfs/dbraw/zinc/82/24/66/643822466.db2.gz MPOQHSKVEZYODD-UHFFFAOYSA-N 1 0 377.242 2.257 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000129606243 643823850 /nfs/dbraw/zinc/82/38/50/643823850.db2.gz UBGPMCFIPNMGAQ-FCLJQHQZSA-N 1 0 394.313 2.416 20 0 GEADRO Brc1ccc(-c2nnc(CN3CC[C@H](C[NH+]4CCOCC4)C3)o2)o1 ZINC000129619856 643824176 /nfs/dbraw/zinc/82/41/76/643824176.db2.gz NQGWLHGMUNAZET-GFCCVEGCSA-N 1 0 397.273 2.246 20 0 GEADRO COC[C@H](O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000129652291 643825420 /nfs/dbraw/zinc/82/54/20/643825420.db2.gz POKNGTYYOVJHSC-DGCLKSJQSA-N 1 0 377.222 2.102 20 0 GEADRO Cc1nccn1CCCCNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000130018145 643828615 /nfs/dbraw/zinc/82/86/15/643828615.db2.gz 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C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000156674755 644111679 /nfs/dbraw/zinc/11/16/79/644111679.db2.gz MSBDTPMDHJKYAH-LRDDRELGSA-N 1 0 390.281 2.388 20 0 GEADRO O=C(NCCC[NH2+]Cc1cnc2cnccn12)c1cccc(Br)c1 ZINC000156732369 644114506 /nfs/dbraw/zinc/11/45/06/644114506.db2.gz JHGPCCJKNDXLQN-UHFFFAOYSA-N 1 0 388.269 2.402 20 0 GEADRO C[C@@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000156762707 644116448 /nfs/dbraw/zinc/11/64/48/644116448.db2.gz HNFWPJVJWZBTMA-ZDUSSCGKSA-N 1 0 394.368 2.296 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000156907012 644123705 /nfs/dbraw/zinc/12/37/05/644123705.db2.gz AXRGRAVJPQEZRR-ZDUSSCGKSA-N 1 0 385.921 2.243 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000157055357 644128645 /nfs/dbraw/zinc/12/86/45/644128645.db2.gz KPVSWQAPMDLOGE-UHFFFAOYSA-N 1 0 391.331 2.231 20 0 GEADRO Cc1nccn1C[C@H](C)CNC(=O)NNC(=O)c1ccccc1Br ZINC000157441432 644134812 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O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(SC(F)(F)F)cc1 ZINC000158989221 644171308 /nfs/dbraw/zinc/17/13/08/644171308.db2.gz GVORNOLKESHRTL-UHFFFAOYSA-N 1 0 398.472 2.424 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000543096938 650899386 /nfs/dbraw/zinc/89/93/86/650899386.db2.gz FEKCBRGSFLZFJT-GFCCVEGCSA-N 1 0 388.295 2.359 20 0 GEADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1C(F)(F)F ZINC000161695449 644215951 /nfs/dbraw/zinc/21/59/51/644215951.db2.gz HWKAAVLJLLPSCV-ZDUSSCGKSA-N 1 0 380.432 2.221 20 0 GEADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000161746972 644218380 /nfs/dbraw/zinc/21/83/80/644218380.db2.gz FUHXQIBIAKGTSB-CQSZACIVSA-N 1 0 380.432 2.221 20 0 GEADRO CCN(CC)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161831253 644221993 /nfs/dbraw/zinc/22/19/93/644221993.db2.gz JXQOBLRXRUUODG-HNNXBMFYSA-N 1 0 375.922 2.186 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccnc(Cl)c1 ZINC000161966260 644227527 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MWYMGVXDZGTGJM-UHFFFAOYSA-N 1 0 376.270 2.008 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000171379453 644320450 /nfs/dbraw/zinc/32/04/50/644320450.db2.gz DLCAHVMNNIVYQF-UHFFFAOYSA-N 1 0 387.933 2.097 20 0 GEADRO C[C@H](CNC(=O)COc1ccc(C=O)cc1Br)C[NH+]1CCCC1 ZINC000173630938 644359913 /nfs/dbraw/zinc/35/99/13/644359913.db2.gz ZKEBVDRLKHMVKO-CYBMUJFWSA-N 1 0 383.286 2.489 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000173583920 644360165 /nfs/dbraw/zinc/36/01/65/644360165.db2.gz BYWUECYJQRLHJD-HNNXBMFYSA-N 1 0 378.300 2.294 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)CSc2nc(-c3ccccc3)no2)CCSC1 ZINC000543586988 650915064 /nfs/dbraw/zinc/91/50/64/650915064.db2.gz CZANWDRDNVISKN-QGZVFWFLSA-N 1 0 378.523 2.382 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000174672778 644380329 /nfs/dbraw/zinc/38/03/29/644380329.db2.gz TUFNVBLLCLCVIQ-UHFFFAOYSA-N 1 0 395.301 2.007 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccn2c(I)cnc12 ZINC000176785948 644405572 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CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178932905 644445231 /nfs/dbraw/zinc/44/52/31/644445231.db2.gz WFMPUJIGJUKTPO-JTQLQIEISA-N 1 0 382.711 2.260 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178932893 644445363 /nfs/dbraw/zinc/44/53/63/644445363.db2.gz WFMPUJIGJUKTPO-SNVBAGLBSA-N 1 0 382.711 2.260 20 0 GEADRO O=C([C@H]1COc2ccc(Br)cc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179042983 644450324 /nfs/dbraw/zinc/45/03/24/644450324.db2.gz ZYEGSIORWFDYLE-BBRMVZONSA-N 1 0 395.297 2.106 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543752126 650922597 /nfs/dbraw/zinc/92/25/97/650922597.db2.gz NJJNDRLYMMDHFK-OLZOCXBDSA-N 1 0 385.555 2.087 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(Br)n1 ZINC000179728467 644472679 /nfs/dbraw/zinc/47/26/79/644472679.db2.gz MEXJDGZPEFPQKY-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO OCC[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccccc1Br ZINC000543811812 650925196 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COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cccc(C)c2Cl)CC1 ZINC000544730260 650951417 /nfs/dbraw/zinc/95/14/17/650951417.db2.gz CRYNNYCLZDYWIT-UHFFFAOYSA-N 1 0 388.917 2.202 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(Br)c(Br)c2)C1 ZINC000545150291 650962767 /nfs/dbraw/zinc/96/27/67/650962767.db2.gz SDZNALKTRNZBBE-CYBMUJFWSA-N 1 0 378.108 2.368 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000545168550 650963761 /nfs/dbraw/zinc/96/37/61/650963761.db2.gz KNNOXISFDJWGLD-KRWDZBQOSA-N 1 0 397.317 2.237 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1=O ZINC000182016500 644956179 /nfs/dbraw/zinc/95/61/79/644956179.db2.gz XJOJCTMNOJMAEM-LBPRGKRZSA-N 1 0 383.290 2.097 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)s1 ZINC000182059414 644956892 /nfs/dbraw/zinc/95/68/92/644956892.db2.gz HJQIZMDABOWYPT-GDLCADMTSA-N 1 0 376.931 2.227 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183100848 644979887 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O=c1c(Cl)c(Cl)cnn1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000183521138 644996637 /nfs/dbraw/zinc/99/66/37/644996637.db2.gz KKGWPPCCKPJKBE-UHFFFAOYSA-N 1 0 389.327 2.332 20 0 GEADRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000184280273 645015448 /nfs/dbraw/zinc/01/54/48/645015448.db2.gz QLUBNMNVGIBKFW-CDEUHXGRSA-N 1 0 384.523 2.176 20 0 GEADRO CC[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O)[NH+](C)C ZINC000185414389 645043995 /nfs/dbraw/zinc/04/39/95/645043995.db2.gz FAATVENFCFSUHI-CABCVRRESA-N 1 0 382.302 2.319 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000185432364 645044853 /nfs/dbraw/zinc/04/48/53/645044853.db2.gz TUPWLBLIJGTZAS-UHFFFAOYSA-N 1 0 391.940 2.315 20 0 GEADRO COC(=O)N1CC([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000185861344 645055303 /nfs/dbraw/zinc/05/53/03/645055303.db2.gz CAJCGGSETXEXAK-UHFFFAOYSA-N 1 0 393.079 2.334 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000186360050 645065263 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CC1(C)CN(C(=O)c2nc(Br)ccc2Br)CC[NH2+]1 ZINC000188768334 645124416 /nfs/dbraw/zinc/12/44/16/645124416.db2.gz REJGSDPSIHFVIL-UHFFFAOYSA-N 1 0 377.080 2.431 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000545871169 650983212 /nfs/dbraw/zinc/98/32/12/650983212.db2.gz UOBVYDQUDNDHDN-NSHDSACASA-N 1 0 383.265 2.424 20 0 GEADRO Cn1nc(Br)cc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000192041259 645191474 /nfs/dbraw/zinc/19/14/74/645191474.db2.gz SVLISMBGJHFFBO-UHFFFAOYSA-N 1 0 381.274 2.053 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000192105587 645193666 /nfs/dbraw/zinc/19/36/66/645193666.db2.gz HWWPBOYJJKINDR-LLVKDONJSA-N 1 0 390.272 2.483 20 0 GEADRO Cn1nc(Br)cc1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000192148943 645196510 /nfs/dbraw/zinc/19/65/10/645196510.db2.gz SJJFLROMKVKVMT-UHFFFAOYSA-N 1 0 399.333 2.195 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192492818 645209559 /nfs/dbraw/zinc/20/95/59/645209559.db2.gz VTMBKZKBBZPDPU-TXEJJXNPSA-N 1 0 391.265 2.498 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(S(=O)(=O)CC)CC1)CC(C)C ZINC000192494451 645210023 /nfs/dbraw/zinc/21/00/23/645210023.db2.gz KCSDRFFBCOHXSS-MRXNPFEDSA-N 1 0 375.579 2.352 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000192615143 645214213 /nfs/dbraw/zinc/21/42/13/645214213.db2.gz AKOBVCPOZFEBLP-OAHLLOKOSA-N 1 0 389.924 2.021 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)ccc1Br ZINC000192903690 645229088 /nfs/dbraw/zinc/22/90/88/645229088.db2.gz IPSUZPQPVJCPOX-LBPRGKRZSA-N 1 0 385.306 2.184 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000192918714 645230381 /nfs/dbraw/zinc/23/03/81/645230381.db2.gz RWZPFPXDSXZWJD-PHIMTYICSA-N 1 0 377.279 2.079 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cccc(I)c1 ZINC000192940781 645233692 /nfs/dbraw/zinc/23/36/92/645233692.db2.gz ZSTZGMFYWSOHOB-UHFFFAOYSA-N 1 0 396.294 2.254 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193080669 645238954 /nfs/dbraw/zinc/23/89/54/645238954.db2.gz ABXOCLOJFPTAMV-GFCCVEGCSA-N 1 0 397.317 2.409 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000546165556 650993844 /nfs/dbraw/zinc/99/38/44/650993844.db2.gz JFMMEXAMFSKVRX-QZTJIDSGSA-N 1 0 380.897 2.422 20 0 GEADRO O=S(=O)(NCC1CC[NH2+]CC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000193235349 645253466 /nfs/dbraw/zinc/25/34/66/645253466.db2.gz HCJOSCPDHSTZIB-AWEZNQCLSA-N 1 0 388.917 2.033 20 0 GEADRO [NH3+]C1CCC(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC000193249207 645256018 /nfs/dbraw/zinc/25/60/18/645256018.db2.gz UDSLJUPFPLDLBH-GRTSSRMGSA-N 1 0 388.917 2.304 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193256868 645256426 /nfs/dbraw/zinc/25/64/26/645256426.db2.gz GZZSOJBXRZFUKH-GJZGRUSLSA-N 1 0 388.917 2.318 20 0 GEADRO CC(C)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193261356 645257158 /nfs/dbraw/zinc/25/71/58/645257158.db2.gz CVHOMYKSVDAFLB-ZDUSSCGKSA-N 1 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645264801 /nfs/dbraw/zinc/26/48/01/645264801.db2.gz DRAIYJRPKZDAJW-NSHDSACASA-N 1 0 392.319 2.203 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]CCCc2ccc3c(c2)CCO3)s1 ZINC000193305351 645264933 /nfs/dbraw/zinc/26/49/33/645264933.db2.gz QWASTWSWTIIXTO-UHFFFAOYSA-N 1 0 380.535 2.492 20 0 GEADRO [NH3+][C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000193314096 645266355 /nfs/dbraw/zinc/26/63/55/645266355.db2.gz DBZYWLPAPCQSAD-JTQLQIEISA-N 1 0 387.221 2.484 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000193322124 645267366 /nfs/dbraw/zinc/26/73/66/645267366.db2.gz CROXAXYBLDDFEB-GFCCVEGCSA-N 1 0 395.294 2.393 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000193465299 645276031 /nfs/dbraw/zinc/27/60/31/645276031.db2.gz LWHAPJSGKFXXIF-CQSZACIVSA-N 1 0 394.313 2.429 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000193477338 645276865 /nfs/dbraw/zinc/27/68/65/645276865.db2.gz VSOQUFAFAANEHD-CQSZACIVSA-N 1 0 392.297 2.183 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000193477354 645276974 /nfs/dbraw/zinc/27/69/74/645276974.db2.gz VSOQUFAFAANEHD-AWEZNQCLSA-N 1 0 392.297 2.183 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ncc1Br ZINC000193546147 645281614 /nfs/dbraw/zinc/28/16/14/645281614.db2.gz LELPLGQSIHWREL-NSHDSACASA-N 1 0 385.306 2.184 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000546224972 650996496 /nfs/dbraw/zinc/99/64/96/650996496.db2.gz XSYSIRFUSFHHCL-GFCCVEGCSA-N 1 0 388.331 2.361 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193559779 645283918 /nfs/dbraw/zinc/28/39/18/645283918.db2.gz ZUXDYQAPCJNCDZ-ZDUSSCGKSA-N 1 0 383.290 2.115 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193602897 645289159 /nfs/dbraw/zinc/28/91/59/645289159.db2.gz ZSPKSSSCSUMBGE-ZDUSSCGKSA-N 1 0 397.317 2.267 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1ccc(Br)cc1 ZINC000193709014 645292117 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C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000194943479 645350216 /nfs/dbraw/zinc/35/02/16/645350216.db2.gz LFQOBNZCEXTWMO-ZDUSSCGKSA-N 1 0 399.285 2.361 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)c1cc(Br)ccc1I ZINC000194959942 645350861 /nfs/dbraw/zinc/35/08/61/645350861.db2.gz PTXYSZROUPHMSC-ZCFIWIBFSA-N 1 0 383.027 2.131 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)NCc2ccccc2Br)CC1 ZINC000195166589 645359653 /nfs/dbraw/zinc/35/96/53/645359653.db2.gz NBZFHDPXCPZAHX-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000195168818 645359948 /nfs/dbraw/zinc/35/99/48/645359948.db2.gz YRXGEKJBPWMRGX-AWEZNQCLSA-N 1 0 390.336 2.358 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cn1cc(Br)cn1 ZINC000546607685 651004034 /nfs/dbraw/zinc/00/40/34/651004034.db2.gz HPGPTDLWJFIQPD-CJNGLKHVSA-N 1 0 377.286 2.282 20 0 GEADRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195249066 645365681 /nfs/dbraw/zinc/36/56/81/645365681.db2.gz PMYIZYXJYZEYNT-ZENOOKHLSA-N 1 0 382.291 2.276 20 0 GEADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195264165 645367686 /nfs/dbraw/zinc/36/76/86/645367686.db2.gz FTBCIMCKFZZGNG-SASJJMKUSA-N 1 0 385.327 2.015 20 0 GEADRO O=C(NCCNC(=O)C1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000195413781 645376776 /nfs/dbraw/zinc/37/67/76/645376776.db2.gz UYCLXWMEWWCTCO-UHFFFAOYSA-N 1 0 394.313 2.170 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000195443551 645378970 /nfs/dbraw/zinc/37/89/70/645378970.db2.gz FYPNOXBTCBKTQM-UHFFFAOYSA-N 1 0 395.301 2.115 20 0 GEADRO C[NH2+]CCN(C)C(=O)c1cc(Br)ccc1I ZINC000219041872 645385635 /nfs/dbraw/zinc/38/56/35/645385635.db2.gz LDFXNUHQVVQDAI-UHFFFAOYSA-N 1 0 397.054 2.345 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)c(O)c2)C1 ZINC000230890876 645401377 /nfs/dbraw/zinc/40/13/77/645401377.db2.gz CMOJCBRULGHRFE-NSHDSACASA-N 1 0 388.249 2.457 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000236570527 645411641 /nfs/dbraw/zinc/41/16/41/645411641.db2.gz MIMDYOGZTDCQBZ-ZDUSSCGKSA-N 1 0 396.314 2.123 20 0 GEADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CCC[NH2+]CC1 ZINC000236595177 645413243 /nfs/dbraw/zinc/41/32/43/645413243.db2.gz BXZOQSWUOPXYIY-UHFFFAOYSA-N 1 0 385.287 2.315 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000236607569 645413931 /nfs/dbraw/zinc/41/39/31/645413931.db2.gz SHZQHLOTRDFYDE-CQSZACIVSA-N 1 0 387.933 2.228 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000236616287 645414472 /nfs/dbraw/zinc/41/44/72/645414472.db2.gz JDUTXOWBSWLQAB-OAHLLOKOSA-N 1 0 375.922 2.036 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000236641226 645415158 /nfs/dbraw/zinc/41/51/58/645415158.db2.gz IXSMZUFOEGTVCO-LLVKDONJSA-N 1 0 378.270 2.410 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000236637891 645415429 /nfs/dbraw/zinc/41/54/29/645415429.db2.gz ISJPNNOOVJWGMO-AWEZNQCLSA-N 1 0 376.320 2.072 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)c1ccc2ncc(I)n2c1 ZINC000236729772 645418538 /nfs/dbraw/zinc/41/85/38/645418538.db2.gz HGANMOUMTUUOPJ-LLVKDONJSA-N 1 0 386.237 2.186 20 0 GEADRO CCC[NH2+]CCNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000236820957 645419349 /nfs/dbraw/zinc/41/93/49/645419349.db2.gz JAEYFNCYNSMASC-UHFFFAOYSA-N 1 0 375.922 2.098 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000236884458 645420029 /nfs/dbraw/zinc/42/00/29/645420029.db2.gz VRPXZTIIPZPDJY-AWEZNQCLSA-N 1 0 387.933 2.372 20 0 GEADRO COc1cc(C[NH2+]C[C@@H](O)C(C)C)cc(I)c1OC ZINC000237149413 645424625 /nfs/dbraw/zinc/42/46/25/645424625.db2.gz XLHJYKJOVMJLAX-GFCCVEGCSA-N 1 0 379.238 2.415 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237140850 645424958 /nfs/dbraw/zinc/42/49/58/645424958.db2.gz PZXWDMQVOLMSBZ-DZGCQCFKSA-N 1 0 396.329 2.431 20 0 GEADRO COc1ccc(C(=O)N[C@H](C[NH3+])CC(C)C)c(I)c1 ZINC000237170670 645425543 /nfs/dbraw/zinc/42/55/43/645425543.db2.gz QFUHOKGTHHXFMB-JTQLQIEISA-N 1 0 376.238 2.403 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000237332501 645428257 /nfs/dbraw/zinc/42/82/57/645428257.db2.gz LBODFILBMSJVJV-ZWNOBZJWSA-N 1 0 377.304 2.254 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)NC[C@@H]([NH3+])C3CC3)[nH]c(=O)c2c1C ZINC000237340381 645428515 /nfs/dbraw/zinc/42/85/15/645428515.db2.gz JGWRXGWPXWKLLQ-ZYHUDNBSSA-N 1 0 380.539 2.077 20 0 GEADRO Cc1c(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000237389673 645429751 /nfs/dbraw/zinc/42/97/51/645429751.db2.gz HKRWJNFYAZZIPD-GHMZBOCLSA-N 1 0 378.274 2.161 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000237402952 645430465 /nfs/dbraw/zinc/43/04/65/645430465.db2.gz LZWKYZBAHWRPPB-KYOSRNDESA-N 1 0 380.286 2.140 20 0 GEADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000237432377 645431902 /nfs/dbraw/zinc/43/19/02/645431902.db2.gz JYESKARUJNOAQZ-VXGBXAGGSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000237482918 645433222 /nfs/dbraw/zinc/43/32/22/645433222.db2.gz OSGBHNVNCPRNLJ-UPJWGTAASA-N 1 0 380.286 2.140 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)[C@@H]1C[NH3+] ZINC000237557169 645436084 /nfs/dbraw/zinc/43/60/84/645436084.db2.gz VGUFNBHLCQBDNI-BXUZGUMPSA-N 1 0 390.347 2.263 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCCC[NH3+])ccc2Cl)C1 ZINC000237556096 645436134 /nfs/dbraw/zinc/43/61/34/645436134.db2.gz IWWPLGODXNJRSS-CYBMUJFWSA-N 1 0 387.933 2.229 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237555777 645436208 /nfs/dbraw/zinc/43/62/08/645436208.db2.gz XDKCTPMSYYTZJQ-BXKDBHETSA-N 1 0 392.275 2.105 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000237575606 645436913 /nfs/dbraw/zinc/43/69/13/645436913.db2.gz IRDVWSIWOIEPNO-JOYOIKCWSA-N 1 0 392.275 2.248 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](C)C[NH2+]1 ZINC000237614704 645437991 /nfs/dbraw/zinc/43/79/91/645437991.db2.gz ATRWDHMCVVGSGY-TYNCELHUSA-N 1 0 380.286 2.011 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000237615602 645438938 /nfs/dbraw/zinc/43/89/38/645438938.db2.gz NDYFLSYSOUTNJR-NWDGAFQWSA-N 1 0 387.933 2.369 20 0 GEADRO Cc1cc(SCC(=O)NCCN2CC[NH2+]CC2)c(C)cc1Br ZINC000237796660 645441859 /nfs/dbraw/zinc/44/18/59/645441859.db2.gz GREPOCHNOJACMK-UHFFFAOYSA-N 1 0 386.359 2.179 20 0 GEADRO C[C@]1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCC[NH2+]C1 ZINC000237797235 645441937 /nfs/dbraw/zinc/44/19/37/645441937.db2.gz PNQJQWXNLFABOC-SFHVURJKSA-N 1 0 394.313 2.123 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 ZINC000237803571 645442640 /nfs/dbraw/zinc/44/26/40/645442640.db2.gz AJLAZXGXFGQHII-MRXNPFEDSA-N 1 0 375.270 2.193 20 0 GEADRO [NH3+]C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000237802258 645442705 /nfs/dbraw/zinc/44/27/05/645442705.db2.gz PETAKVVMTVJZLK-HIFPTAJRSA-N 1 0 380.286 2.188 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)NCCc1ccc(I)s1 ZINC000237809136 645442841 /nfs/dbraw/zinc/44/28/41/645442841.db2.gz DVORHCQJEVWDCL-VIFPVBQESA-N 1 0 396.319 2.107 20 0 GEADRO [NH3+]C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000237845505 645445776 /nfs/dbraw/zinc/44/57/76/645445776.db2.gz PMEJSNXBYHGVHG-UHFFFAOYSA-N 1 0 385.917 2.078 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000237858988 645446533 /nfs/dbraw/zinc/44/65/33/645446533.db2.gz KTMCRZQONOIIMN-XJKSGUPXSA-N 1 0 381.929 2.361 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000237904068 645447990 /nfs/dbraw/zinc/44/79/90/645447990.db2.gz AFGAGNAGDPOHIM-CABZTGNLSA-N 1 0 392.275 2.153 20 0 GEADRO O=C(NCC[NH2+]C1CC1)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000238107451 645449637 /nfs/dbraw/zinc/44/96/37/645449637.db2.gz IBBHOEMXFAURTL-UHFFFAOYSA-N 1 0 385.555 2.231 20 0 GEADRO CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000546869745 651012125 /nfs/dbraw/zinc/01/21/25/651012125.db2.gz ITFDNOJMHLUCOT-ZDUSSCGKSA-N 1 0 396.329 2.476 20 0 GEADRO Cc1cc(=O)n2nc(CN(C)[C@H](C)c3ccc([S@@](C)=O)cc3)sc2n1 ZINC000245469189 645456332 /nfs/dbraw/zinc/45/63/32/645456332.db2.gz LMHAMZTUOMUUGM-XELLLNAOSA-N 1 0 376.507 2.390 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000245531200 645458567 /nfs/dbraw/zinc/45/85/67/645458567.db2.gz GXDKRGRBDSYQNJ-KBPBESRZSA-N 1 0 386.901 2.374 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000245541049 645459147 /nfs/dbraw/zinc/45/91/47/645459147.db2.gz KOGWPQQJZNLDPP-IUODEOHRSA-N 1 0 386.901 2.231 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)C[C@@H]1C ZINC000245533208 645459230 /nfs/dbraw/zinc/45/92/30/645459230.db2.gz HLVLJLLMYQCJNV-STQMWFEESA-N 1 0 394.313 2.386 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)CC(=O)NCC(F)(F)F)[C@H]1c1cccs1 ZINC000245656435 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PTLUBWFTWORJMO-IHRRRGAJSA-N 1 0 384.318 2.163 20 0 GEADRO C[C@H](C(F)(F)F)S(=O)(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248430772 645526118 /nfs/dbraw/zinc/52/61/18/645526118.db2.gz SFXGRTDFJYECJA-HZSPNIEDSA-N 1 0 386.480 2.478 20 0 GEADRO O[C@@H](CN1CCC[C@H]1CN1CCOCC1)c1ccc(F)c(Br)c1 ZINC000248570492 645532355 /nfs/dbraw/zinc/53/23/55/645532355.db2.gz QPYCUZIXVQWOKP-YOEHRIQHSA-N 1 0 387.293 2.418 20 0 GEADRO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c2cc(Br)ccc2n1 ZINC000547276953 651020244 /nfs/dbraw/zinc/02/02/44/651020244.db2.gz SDZSGPJHFZDVKX-QGZVFWFLSA-N 1 0 378.270 2.102 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c(Br)c1 ZINC000547285315 651020569 /nfs/dbraw/zinc/02/05/69/651020569.db2.gz IZRSGZVUYVAFTR-UHFFFAOYSA-N 1 0 396.285 2.164 20 0 GEADRO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000249155309 645547099 /nfs/dbraw/zinc/54/70/99/645547099.db2.gz WMPLSZCXCOYKBC-UXIGCNINSA-N 1 0 391.249 2.046 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000249180273 645548573 /nfs/dbraw/zinc/54/85/73/645548573.db2.gz MZLHKSLWQMLHOI-WFASDCNBSA-N 1 0 380.286 2.330 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000547290357 651021466 /nfs/dbraw/zinc/02/14/66/651021466.db2.gz WYXNUWDZSRHSCE-MRXNPFEDSA-N 1 0 386.290 2.424 20 0 GEADRO O=C1[C@H](N2CCC[C@@H](n3cncn3)C2)CCN1c1cccc(Br)c1 ZINC000249322036 645552371 /nfs/dbraw/zinc/55/23/71/645552371.db2.gz QWUHFNGSBYKPEM-HZPDHXFCSA-N 1 0 390.285 2.483 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000249858499 645562321 /nfs/dbraw/zinc/56/23/21/645562321.db2.gz DYTWVNJRUDSVQK-HZPDHXFCSA-N 1 0 394.313 2.264 20 0 GEADRO CCOc1cc(CN2CC[N@H+](CCO)[C@@H](C)C2)cc(Br)c1OC ZINC000249966248 645563485 /nfs/dbraw/zinc/56/34/85/645563485.db2.gz KCFAVZOZKCNEIL-ZDUSSCGKSA-N 1 0 387.318 2.355 20 0 GEADRO C[C@@H]1CCCN(CC(=O)Nc2ccccc2I)[C@H]1C[NH3+] ZINC000252463784 645565370 /nfs/dbraw/zinc/56/53/70/645565370.db2.gz CRLLTQQYLGEFJP-RISCZKNCSA-N 1 0 387.265 2.289 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1F ZINC000253125051 645568098 /nfs/dbraw/zinc/56/80/98/645568098.db2.gz QENWJAVEIOJIGW-RYUDHWBXSA-N 1 0 377.279 2.493 20 0 GEADRO O=C(CN1CC[NH2+]C[C@@H]1c1cccnc1)Nc1ccc(Br)cc1 ZINC000261602036 645589141 /nfs/dbraw/zinc/58/91/41/645589141.db2.gz ANNBOILMEKEMPD-MRXNPFEDSA-N 1 0 375.270 2.429 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261631033 645592386 /nfs/dbraw/zinc/59/23/86/645592386.db2.gz BSLMYVWBZGYYOO-UKRRQHHQSA-N 1 0 396.329 2.289 20 0 GEADRO COCCOC[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261700021 645594344 /nfs/dbraw/zinc/59/43/44/645594344.db2.gz IGPBZIZAQVLUES-GUYCJALGSA-N 1 0 385.302 2.135 20 0 GEADRO O=C(Cc1cccc(I)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261717834 645596149 /nfs/dbraw/zinc/59/61/49/645596149.db2.gz GSQPYAUTYIBHFG-OKILXGFUSA-N 1 0 384.261 2.292 20 0 GEADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000261757729 645597391 /nfs/dbraw/zinc/59/73/91/645597391.db2.gz MOJASAAHLITZKK-HNNXBMFYSA-N 1 0 392.301 2.158 20 0 GEADRO COCC1(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000261765603 645598089 /nfs/dbraw/zinc/59/80/89/645598089.db2.gz QRFVCOJSVWAUNX-ZDUSSCGKSA-N 1 0 385.302 2.349 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261776340 645598738 /nfs/dbraw/zinc/59/87/38/645598738.db2.gz PETDWVFGDPVEMJ-SKDRFNHKSA-N 1 0 379.707 2.475 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1F ZINC000261782273 645599439 /nfs/dbraw/zinc/59/94/39/645599439.db2.gz HMGHOULNGXWWFD-GFCCVEGCSA-N 1 0 398.198 2.154 20 0 GEADRO COc1cc(CN2CC[C@](C)(C[NH3+])C2)cc(I)c1OC ZINC000261809505 645602359 /nfs/dbraw/zinc/60/23/59/645602359.db2.gz OPXBVTJXOKNSGD-OAHLLOKOSA-N 1 0 390.265 2.479 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261822061 645603966 /nfs/dbraw/zinc/60/39/66/645603966.db2.gz ASDMGFJHIMTWTI-UHTWSYAYSA-N 1 0 389.315 2.206 20 0 GEADRO C[C@]([NH3+])(C(=O)NCc1cn2c(n1)CCCC2)c1ccc(Br)cc1 ZINC000261832867 645604191 /nfs/dbraw/zinc/60/41/91/645604191.db2.gz UGRIURAQVDAINL-QGZVFWFLSA-N 1 0 377.286 2.472 20 0 GEADRO CN(C)C(=O)C1(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CCCC1 ZINC000261833059 645604522 /nfs/dbraw/zinc/60/45/22/645604522.db2.gz UHOLLNWLYIAFFO-KRWDZBQOSA-N 1 0 396.329 2.388 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1 ZINC000261848499 645605058 /nfs/dbraw/zinc/60/50/58/645605058.db2.gz RGMICFTXAMHLRJ-CQSZACIVSA-N 1 0 399.925 2.096 20 0 GEADRO CSCc1cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1F ZINC000261861942 645606389 /nfs/dbraw/zinc/60/63/89/645606389.db2.gz NFZKTLUZASBPBB-CQSZACIVSA-N 1 0 379.423 2.255 20 0 GEADRO O=C(N1CCc2c(Br)cccc2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000261894486 645609382 /nfs/dbraw/zinc/60/93/82/645609382.db2.gz GZSMGMDQDIQRJB-UHFFFAOYSA-N 1 0 389.297 2.309 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000261894674 645609577 /nfs/dbraw/zinc/60/95/77/645609577.db2.gz VXJWRMMLCBBCIE-GWCFXTLKSA-N 1 0 379.404 2.078 20 0 GEADRO O=C(CC[C@@H]1CC[NH2+]C1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000261894808 645610060 /nfs/dbraw/zinc/61/00/60/645610060.db2.gz UIBRMSHPRUMRQT-GFCCVEGCSA-N 1 0 378.274 2.417 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261904646 645610955 /nfs/dbraw/zinc/61/09/55/645610955.db2.gz WXKPOLHCYMWZEG-CQSZACIVSA-N 1 0 377.304 2.126 20 0 GEADRO COc1cc(Br)c(CN2CC[NH2+]C[C@H]2c2nccn2C)cc1O ZINC000261999351 645614749 /nfs/dbraw/zinc/61/47/49/645614749.db2.gz LDYUCGNRCNYXDB-ZDUSSCGKSA-N 1 0 381.274 2.043 20 0 GEADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)s1 ZINC000262138392 645619258 /nfs/dbraw/zinc/61/92/58/645619258.db2.gz OKIHRACFENJTGU-CQSZACIVSA-N 1 0 389.587 2.105 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCC[C@H]3CCC[NH2+]3)ccc2s1 ZINC000262226648 645620556 /nfs/dbraw/zinc/62/05/56/645620556.db2.gz GHJUGRKIRYHFIL-CYBMUJFWSA-N 1 0 382.507 2.498 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262333992 645627676 /nfs/dbraw/zinc/62/76/76/645627676.db2.gz RXZXRWKGKNPECK-CQSZACIVSA-N 1 0 380.491 2.008 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](C(C)C)[C@H](C)C1 ZINC000547524837 651029319 /nfs/dbraw/zinc/02/93/19/651029319.db2.gz SNEJVLMQMQCXJR-MRVWCRGKSA-N 1 0 375.560 2.486 20 0 GEADRO O=S(=O)(NC[C@H]1[NH2+]CCc2ccccc21)c1cncc(Br)c1 ZINC000262466040 645631067 /nfs/dbraw/zinc/63/10/67/645631067.db2.gz IWYBLKCMOQNOAZ-OAHLLOKOSA-N 1 0 382.283 2.009 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000262482890 645632463 /nfs/dbraw/zinc/63/24/63/645632463.db2.gz VIIWQJCVBPMVCX-LLVKDONJSA-N 1 0 378.226 2.468 20 0 GEADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1nccn1Cc1ccc(Br)cc1 ZINC000262557657 645636578 /nfs/dbraw/zinc/63/65/78/645636578.db2.gz PWGOLUJJNHBXOC-CQSZACIVSA-N 1 0 379.258 2.011 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000262592038 645639213 /nfs/dbraw/zinc/63/92/13/645639213.db2.gz RUTCIBCLQXQBJA-CZUORRHYSA-N 1 0 394.313 2.170 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000262624906 645640513 /nfs/dbraw/zinc/64/05/13/645640513.db2.gz KZPSLXWUIFBXLU-MAZHCROVSA-N 1 0 394.313 2.436 20 0 GEADRO CCC[C@](C)([NH3+])C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000262720964 645642436 /nfs/dbraw/zinc/64/24/36/645642436.db2.gz ZSTNBTBBSAHORA-KRWDZBQOSA-N 1 0 382.302 2.251 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(I)c2)C1 ZINC000262733005 645643032 /nfs/dbraw/zinc/64/30/32/645643032.db2.gz DYBNYEOJOSXGTR-MNOVXSKESA-N 1 0 394.278 2.039 20 0 GEADRO COCC[NH2+]CCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000262735810 645643171 /nfs/dbraw/zinc/64/31/71/645643171.db2.gz AIDDKUJLBXCWHV-UHFFFAOYSA-N 1 0 376.906 2.033 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000262738377 645643909 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Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000416819549 648212688 /nfs/dbraw/zinc/21/26/88/648212688.db2.gz BFLDOVBBORBUKZ-NWDGAFQWSA-N 1 0 383.290 2.075 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000416826831 648213669 /nfs/dbraw/zinc/21/36/69/648213669.db2.gz KMOHVZOFSFCQTE-CYBMUJFWSA-N 1 0 397.317 2.337 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000416827619 648213825 /nfs/dbraw/zinc/21/38/25/648213825.db2.gz LGNMRQOYWQKFIY-QGZVFWFLSA-N 1 0 397.317 2.385 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(F)ccc2Br)CC[N@H+](C)C1 ZINC000416901158 648215857 /nfs/dbraw/zinc/21/58/57/648215857.db2.gz ANIVRCARWKRFLZ-JTQLQIEISA-N 1 0 388.237 2.157 20 0 GEADRO CO[C@@H]1CCN(C(=O)NCCc2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000416916945 648216805 /nfs/dbraw/zinc/21/68/05/648216805.db2.gz IQMPPCJROWRMLJ-WDEREUQCSA-N 1 0 376.320 2.201 20 0 GEADRO CO[C@H]1CCN(C(=O)NCCc2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000417173099 648228055 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O=C(CCNC(=O)NCCC1=CC[NH2+]CC1)Nc1ccc(Br)cc1 ZINC000417224434 648234232 /nfs/dbraw/zinc/23/42/32/648234232.db2.gz MLPFPZYTJFIYDO-UHFFFAOYSA-N 1 0 395.301 2.387 20 0 GEADRO C[C@H](NC(=O)NCc1cn2cc(Br)ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000417224188 648234342 /nfs/dbraw/zinc/23/43/42/648234342.db2.gz RCQAFXCOVKETIB-NWDGAFQWSA-N 1 0 380.290 2.284 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000417226306 648234792 /nfs/dbraw/zinc/23/47/92/648234792.db2.gz ZPNAOMRXGWUPAC-HNNXBMFYSA-N 1 0 375.922 2.129 20 0 GEADRO C[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000417226066 648234797 /nfs/dbraw/zinc/23/47/97/648234797.db2.gz OMSXYRMMZZTXIA-NEPJUHHUSA-N 1 0 383.290 2.170 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417226462 648234851 /nfs/dbraw/zinc/23/48/51/648234851.db2.gz OXXVIEYSVDBLHQ-SMDDNHRTSA-N 1 0 383.290 2.075 20 0 GEADRO C[C@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000417229639 648235176 /nfs/dbraw/zinc/23/51/76/648235176.db2.gz UOPCZRVLCNKPCW-QWHCGFSZSA-N 1 0 397.317 2.404 20 0 GEADRO C[C@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000417231659 648235597 /nfs/dbraw/zinc/23/55/97/648235597.db2.gz ZAIBRDASUMVEDP-FZMZJTMJSA-N 1 0 383.290 2.156 20 0 GEADRO C[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000417231660 648235647 /nfs/dbraw/zinc/23/56/47/648235647.db2.gz ZAIBRDASUMVEDP-RISCZKNCSA-N 1 0 383.290 2.156 20 0 GEADRO O=C(NCCc1ccc(Cl)s1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507137553 648236862 /nfs/dbraw/zinc/23/68/62/648236862.db2.gz BROILGGTYFKZQC-UHFFFAOYSA-N 1 0 375.841 2.280 20 0 GEADRO C[NH+](C)C1CN(C(=O)Nc2c(F)cc(I)cc2F)C1 ZINC000417290823 648237468 /nfs/dbraw/zinc/23/74/68/648237468.db2.gz UKFLSINLIGTTJG-UHFFFAOYSA-N 1 0 381.164 2.347 20 0 GEADRO C[C@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000417304335 648238860 /nfs/dbraw/zinc/23/88/60/648238860.db2.gz UEJIEPBSWDHAKL-WCQYABFASA-N 1 0 398.301 2.347 20 0 GEADRO C[C@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000417315976 648239120 /nfs/dbraw/zinc/23/91/20/648239120.db2.gz TXRGZDAPPAGLDO-XJKSGUPXSA-N 1 0 381.318 2.199 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417304952 648239207 /nfs/dbraw/zinc/23/92/07/648239207.db2.gz VQQPIEYOKFCSOS-GFCCVEGCSA-N 1 0 386.290 2.393 20 0 GEADRO O=C(NCCCOc1ccc(Cl)cc1Cl)NC[C@@H]1C[NH2+]CCCO1 ZINC000417337773 648239959 /nfs/dbraw/zinc/23/99/59/648239959.db2.gz XQYQLJWQSNPORL-ZDUSSCGKSA-N 1 0 376.284 2.440 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000417364587 648240473 /nfs/dbraw/zinc/24/04/73/648240473.db2.gz HOWOUADHBWKKFQ-STQMWFEESA-N 1 0 397.317 2.465 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417369690 648241022 /nfs/dbraw/zinc/24/10/22/648241022.db2.gz REVVCRAOHUTDKV-KRWDZBQOSA-N 1 0 397.317 2.466 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)C1 ZINC000417372250 648241446 /nfs/dbraw/zinc/24/14/46/648241446.db2.gz YJFKRSDPFLRPDS-CYBMUJFWSA-N 1 0 383.290 2.089 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000417378865 648242428 /nfs/dbraw/zinc/24/24/28/648242428.db2.gz IAHWCHGSIDAVLC-ZIAGYGMSSA-N 1 0 386.290 2.105 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC ZINC000417377969 648242448 /nfs/dbraw/zinc/24/24/48/648242448.db2.gz QKEKPXATEJNDSE-ZYHUDNBSSA-N 1 0 386.290 2.345 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)NCCc1ccc(I)s1 ZINC000417435078 648245332 /nfs/dbraw/zinc/24/53/32/648245332.db2.gz BGCQUKFAOQLUQR-SNVBAGLBSA-N 1 0 393.294 2.289 20 0 GEADRO O=C(N[C@H]1CCc2c1cccc2Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417449485 648247249 /nfs/dbraw/zinc/24/72/49/648247249.db2.gz BPYKQXRNPPFZSB-GUYCJALGSA-N 1 0 393.329 2.126 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417476864 648247685 /nfs/dbraw/zinc/24/76/85/648247685.db2.gz FPAIDZHWPSHSIZ-NFAWXSAZSA-N 1 0 381.318 2.407 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417476865 648247868 /nfs/dbraw/zinc/24/78/68/648247868.db2.gz FPAIDZHWPSHSIZ-UMVBOHGHSA-N 1 0 381.318 2.407 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000417478846 648248245 /nfs/dbraw/zinc/24/82/45/648248245.db2.gz DTVMNYQEELJZFP-OCCSQVGLSA-N 1 0 397.317 2.465 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417483053 648249058 /nfs/dbraw/zinc/24/90/58/648249058.db2.gz RBXWFVLXOOOYAO-CABCVRRESA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417485084 648249483 /nfs/dbraw/zinc/24/94/83/648249483.db2.gz VZARYPRDBXZKCB-XPKDYRNWSA-N 1 0 381.318 2.325 20 0 GEADRO CC1(C)CN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[NH2+]1 ZINC000417603362 648255381 /nfs/dbraw/zinc/25/53/81/648255381.db2.gz RCLHUVPAINVWHS-ZDUSSCGKSA-N 1 0 381.318 2.421 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCCc2ccc(Br)cc2F)CCCO1 ZINC000417678988 648258013 /nfs/dbraw/zinc/25/80/13/648258013.db2.gz KQPBSFPXFLRJRR-CQSZACIVSA-N 1 0 388.281 2.280 20 0 GEADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NCC1=CC[NH2+]CC1 ZINC000417728956 648259521 /nfs/dbraw/zinc/25/95/21/648259521.db2.gz BKGRVEQTOKLDDJ-UHFFFAOYSA-N 1 0 378.782 2.352 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417731364 648260204 /nfs/dbraw/zinc/26/02/04/648260204.db2.gz OSSACUAYESSJII-MNOVXSKESA-N 1 0 393.289 2.113 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)C(F)F ZINC000417731488 648260288 /nfs/dbraw/zinc/26/02/88/648260288.db2.gz FTKGNNBAHUWPDV-VIFPVBQESA-N 1 0 390.740 2.414 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417731367 648260291 /nfs/dbraw/zinc/26/02/91/648260291.db2.gz OSSACUAYESSJII-QWRGUYRKSA-N 1 0 393.289 2.113 20 0 GEADRO CC[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000417735196 648260410 /nfs/dbraw/zinc/26/04/10/648260410.db2.gz ZKUGMVYVCASPCF-OAHLLOKOSA-N 1 0 397.361 2.222 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000417852949 648263577 /nfs/dbraw/zinc/26/35/77/648263577.db2.gz ZUTIJYUVAVIMAH-JTQLQIEISA-N 1 0 382.675 2.395 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000417882311 648264448 /nfs/dbraw/zinc/26/44/48/648264448.db2.gz GBBWAEYGEQBGIQ-QGZVFWFLSA-N 1 0 395.345 2.450 20 0 GEADRO [NH3+]C[C@H](NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000417882309 648264589 /nfs/dbraw/zinc/26/45/89/648264589.db2.gz GBBWAEYGEQBGIQ-KRWDZBQOSA-N 1 0 395.345 2.450 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417908049 648265928 /nfs/dbraw/zinc/26/59/28/648265928.db2.gz HYAPOLVEUVCBCR-CYBMUJFWSA-N 1 0 399.333 2.083 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2cc(Cl)ccc2Br)CCCO1 ZINC000417911262 648266201 /nfs/dbraw/zinc/26/62/01/648266201.db2.gz LKULYGJIGHPRBV-ZDUSSCGKSA-N 1 0 390.709 2.404 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCc2cc(Cl)sc2Cl)C1 ZINC000417963091 648267057 /nfs/dbraw/zinc/26/70/57/648267057.db2.gz CWOBZIRARPINLE-SECBINFHSA-N 1 0 379.313 2.051 20 0 GEADRO Cc1cc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)n(C)n1 ZINC000417964456 648267666 /nfs/dbraw/zinc/26/76/66/648267666.db2.gz QGPYMQUAUVRRHA-UHFFFAOYSA-N 1 0 382.555 2.297 20 0 GEADRO COCC[NH2+]CCNC(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000417997470 648268587 /nfs/dbraw/zinc/26/85/87/648268587.db2.gz TYHLZTKADHCIRH-DOMZBBRYSA-N 1 0 388.306 2.060 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418000850 648268662 /nfs/dbraw/zinc/26/86/62/648268662.db2.gz KIKFOGQHKKJMKZ-VCTAVGKDSA-N 1 0 385.295 2.396 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418007185 648269129 /nfs/dbraw/zinc/26/91/29/648269129.db2.gz QASRHRZPVRQIAW-WFASDCNBSA-N 1 0 385.295 2.492 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)F ZINC000418016031 648270031 /nfs/dbraw/zinc/27/00/31/648270031.db2.gz ZMLXVDAVLMLPDP-NWDGAFQWSA-N 1 0 395.237 2.380 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NC3CCC([NH3+])CC3)nc12 ZINC000418024315 648271688 /nfs/dbraw/zinc/27/16/88/648271688.db2.gz MWHRYSKFSNRTLQ-UHFFFAOYSA-N 1 0 380.290 2.474 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)nc12 ZINC000418026319 648271753 /nfs/dbraw/zinc/27/17/53/648271753.db2.gz OHQYDFWNIIQCQT-NEPJUHHUSA-N 1 0 380.290 2.284 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)nc12 ZINC000418026080 648271781 /nfs/dbraw/zinc/27/17/81/648271781.db2.gz VRYUUHZWSLHZMT-YPMHNXCESA-N 1 0 380.290 2.332 20 0 GEADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418025459 648271808 /nfs/dbraw/zinc/27/18/08/648271808.db2.gz FVZFUDKUOOPDEG-HOTGVXAUSA-N 1 0 384.318 2.448 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NC3(C)CC[NH2+]CC3)nc12 ZINC000418026979 648272200 /nfs/dbraw/zinc/27/22/00/648272200.db2.gz WQNDXFXCUGKMDA-UHFFFAOYSA-N 1 0 394.317 2.389 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)NCc2cc(Br)ccc2Br)C1 ZINC000418037389 648273133 /nfs/dbraw/zinc/27/31/33/648273133.db2.gz GUERCNRKMMXZGC-SNVBAGLBSA-N 1 0 377.080 2.454 20 0 GEADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)NCCN1CC[NH2+]CC1 ZINC000418063716 648274447 /nfs/dbraw/zinc/27/44/47/648274447.db2.gz IISGOSQKAJRNST-UHFFFAOYSA-N 1 0 384.311 2.222 20 0 GEADRO CCn1c(CNC(=O)N[C@@H](C[NH3+])C2CC2)nc2cc(Br)ccc21 ZINC000418069531 648275113 /nfs/dbraw/zinc/27/51/13/648275113.db2.gz ROBBXPRLNHPFNS-ZDUSSCGKSA-N 1 0 380.290 2.355 20 0 GEADRO O=C(NCc1ccc(Cl)cc1I)N1CCC[NH2+]CC1 ZINC000418086679 648277313 /nfs/dbraw/zinc/27/73/13/648277313.db2.gz DFWHHEMLDAGRCV-UHFFFAOYSA-N 1 0 393.656 2.450 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418090307 648278212 /nfs/dbraw/zinc/27/82/12/648278212.db2.gz NOXNWYITURTXSP-UKRRQHHQSA-N 1 0 397.317 2.227 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418089608 648278414 /nfs/dbraw/zinc/27/84/14/648278414.db2.gz BOWSFXADAGNHAB-GUTXKFCHSA-N 1 0 381.318 2.420 20 0 GEADRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(F)cc1I ZINC000418090784 648278424 /nfs/dbraw/zinc/27/84/24/648278424.db2.gz CXJKKFIAEXGPKU-UHFFFAOYSA-N 1 0 385.242 2.345 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418095468 648279181 /nfs/dbraw/zinc/27/91/81/648279181.db2.gz JEZQQLULFHAERD-HNNXBMFYSA-N 1 0 381.318 2.469 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418101604 648280090 /nfs/dbraw/zinc/28/00/90/648280090.db2.gz QHEPVPBNXRJLDN-QAPCUYQASA-N 1 0 393.329 2.423 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418107324 648280503 /nfs/dbraw/zinc/28/05/03/648280503.db2.gz YZXPFQOPFHPUTL-SQWLQELKSA-N 1 0 393.329 2.279 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000418112221 648281486 /nfs/dbraw/zinc/28/14/86/648281486.db2.gz BETHCFAQTXCNJX-JHJVBQTASA-N 1 0 399.358 2.056 20 0 GEADRO Cc1cc(Br)cn2c(CN3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)cnc12 ZINC000418114939 648282054 /nfs/dbraw/zinc/28/20/54/648282054.db2.gz OULUTXSRNXQDEW-KGLIPLIRSA-N 1 0 381.318 2.292 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N(C)CC[NH3+] ZINC000418117940 648282078 /nfs/dbraw/zinc/28/20/78/648282078.db2.gz UYHGTWWYFLWXKA-LLVKDONJSA-N 1 0 375.254 2.212 20 0 GEADRO Cc1cc(Br)cn2c(CN3C[C@H](C)[N@@H+](CCO)C[C@H]3C)cnc12 ZINC000418114940 648282138 /nfs/dbraw/zinc/28/21/38/648282138.db2.gz OULUTXSRNXQDEW-UONOGXRCSA-N 1 0 381.318 2.292 20 0 GEADRO C[C@H]1CN(C(=O)NCc2ccc(I)cc2Cl)CC[NH2+]1 ZINC000418120550 648282539 /nfs/dbraw/zinc/28/25/39/648282539.db2.gz IAMAKMBROSTZIH-VIFPVBQESA-N 1 0 393.656 2.448 20 0 GEADRO O=C(NCc1ccc(I)cc1Cl)N[C@@H]1CC[NH2+]C1 ZINC000418129392 648283853 /nfs/dbraw/zinc/28/38/53/648283853.db2.gz UOWRLTDVGAEVRZ-SNVBAGLBSA-N 1 0 379.629 2.106 20 0 GEADRO FC(F)CN1CC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000418133612 648284202 /nfs/dbraw/zinc/28/42/02/648284202.db2.gz KZRCJSYJCZIDMR-NSHDSACASA-N 1 0 386.244 2.459 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1I ZINC000418142905 648284535 /nfs/dbraw/zinc/28/45/35/648284535.db2.gz NYUJYQVUEQVGND-KBPBESRZSA-N 1 0 399.276 2.351 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1I ZINC000418144685 648284967 /nfs/dbraw/zinc/28/49/67/648284967.db2.gz UPPVSKJIIQIYHW-VXGBXAGGSA-N 1 0 387.265 2.491 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000418153582 648285587 /nfs/dbraw/zinc/28/55/87/648285587.db2.gz VCOUAGYTZOZOEX-KGLIPLIRSA-N 1 0 386.290 2.105 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418197527 648287058 /nfs/dbraw/zinc/28/70/58/648287058.db2.gz SZUPWCNMJMOINC-UHFFFAOYSA-N 1 0 384.322 2.211 20 0 GEADRO C[C@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1F ZINC000418184539 648287117 /nfs/dbraw/zinc/28/71/17/648287117.db2.gz NSNPVINPGYAJRR-JSGCOSHPSA-N 1 0 399.308 2.338 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCC2(c3ccccc3Br)CCC2)CCO1 ZINC000418214129 648287567 /nfs/dbraw/zinc/28/75/67/648287567.db2.gz MWOUPNYOWJOBIV-CYBMUJFWSA-N 1 0 382.302 2.240 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CCCO1 ZINC000418198601 648287833 /nfs/dbraw/zinc/28/78/33/648287833.db2.gz LXYJJPKHDNWVPE-ZDUSSCGKSA-N 1 0 395.301 2.232 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000418230270 648288438 /nfs/dbraw/zinc/28/84/38/648288438.db2.gz JCKGWBMZLQIAOV-CYBMUJFWSA-N 1 0 387.933 2.273 20 0 GEADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418237148 648289436 /nfs/dbraw/zinc/28/94/36/648289436.db2.gz VQLYFIKMWKZYGS-OAHLLOKOSA-N 1 0 385.917 2.040 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)n1 ZINC000418253545 648290245 /nfs/dbraw/zinc/29/02/45/648290245.db2.gz YYSMPOQBYDQOMT-CQSZACIVSA-N 1 0 380.290 2.462 20 0 GEADRO COCC1(CNC(=O)NCCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000418277492 648290863 /nfs/dbraw/zinc/29/08/63/648290863.db2.gz HKQVTAACYWHOGF-UHFFFAOYSA-N 1 0 384.318 2.307 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418289605 648291108 /nfs/dbraw/zinc/29/11/08/648291108.db2.gz DFIWHOBMIJPKJL-UHFFFAOYSA-N 1 0 383.334 2.194 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418293632 648291197 /nfs/dbraw/zinc/29/11/97/648291197.db2.gz FGFSZUZIRBNQAV-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000418295169 648291281 /nfs/dbraw/zinc/29/12/81/648291281.db2.gz HLEWPJYVGPIZAR-INIZCTEOSA-N 1 0 399.308 2.340 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418297039 648291543 /nfs/dbraw/zinc/29/15/43/648291543.db2.gz HMRDCAOANFESFR-GFCCVEGCSA-N 1 0 376.284 2.174 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000418298559 648291559 /nfs/dbraw/zinc/29/15/59/648291559.db2.gz MKQIFZIEHGPHNA-MRXNPFEDSA-N 1 0 399.308 2.340 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418329843 648293387 /nfs/dbraw/zinc/29/33/87/648293387.db2.gz BPEUNRUDUARXFR-LSDHHAIUSA-N 1 0 398.345 2.207 20 0 GEADRO C[C@H](NC(=O)NC[C@@H](CO)Cc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000418331038 648293406 /nfs/dbraw/zinc/29/34/06/648293406.db2.gz CHOQNIFDPDOINK-OFQRWUPVSA-N 1 0 398.345 2.287 20 0 GEADRO C[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000418331397 648293421 /nfs/dbraw/zinc/29/34/21/648293421.db2.gz CLSXWZCZFFCHDO-RWMBFGLXSA-N 1 0 390.311 2.420 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418339029 648293747 /nfs/dbraw/zinc/29/37/47/648293747.db2.gz LTJSXAQLROUCGM-GFCCVEGCSA-N 1 0 385.306 2.300 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418345613 648294020 /nfs/dbraw/zinc/29/40/20/648294020.db2.gz LMUNSNILYQIAPF-HOCLYGCPSA-N 1 0 398.345 2.289 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000418385729 648295766 /nfs/dbraw/zinc/29/57/66/648295766.db2.gz KPUISLZTWADKMN-LBPRGKRZSA-N 1 0 387.311 2.316 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000418392301 648296046 /nfs/dbraw/zinc/29/60/46/648296046.db2.gz WCAHWOUVRBTRSZ-LBPRGKRZSA-N 1 0 380.539 2.414 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000418391069 648296166 /nfs/dbraw/zinc/29/61/66/648296166.db2.gz PIPDMSXIZKKDNM-DOMZBBRYSA-N 1 0 386.334 2.063 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000418391070 648296176 /nfs/dbraw/zinc/29/61/76/648296176.db2.gz PIPDMSXIZKKDNM-IUODEOHRSA-N 1 0 386.334 2.063 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)C1CC1 ZINC000418405863 648297086 /nfs/dbraw/zinc/29/70/86/648297086.db2.gz RPFCRKFDROREBC-AWEZNQCLSA-N 1 0 385.295 2.198 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418408020 648297103 /nfs/dbraw/zinc/29/71/03/648297103.db2.gz GIDHVURXEYRGEC-KMFMINBZSA-N 1 0 398.345 2.417 20 0 GEADRO [NH3+][C@@H](CNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)C1CC1 ZINC000418496949 648298289 /nfs/dbraw/zinc/29/82/89/648298289.db2.gz IYQFPDPXXMLQEY-INIZCTEOSA-N 1 0 399.308 2.153 20 0 GEADRO [NH3+][C@H](CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)C1CC1 ZINC000418496234 648298339 /nfs/dbraw/zinc/29/83/39/648298339.db2.gz HIEGPFFHLJWJQA-CQSZACIVSA-N 1 0 396.289 2.188 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CCC1 ZINC000418505054 648298784 /nfs/dbraw/zinc/29/87/84/648298784.db2.gz BWTXPGBFGAMMTN-UHFFFAOYSA-N 1 0 399.308 2.297 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCC1([NH3+])CCC1 ZINC000418530795 648300542 /nfs/dbraw/zinc/30/05/42/648300542.db2.gz VRCKJSGCOIEUDB-CYBMUJFWSA-N 1 0 384.318 2.089 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418544091 648301010 /nfs/dbraw/zinc/30/10/10/648301010.db2.gz CJCQBXNYQKQEHI-NEPJUHHUSA-N 1 0 376.284 2.174 20 0 GEADRO C[C@@]1(CNC(=O)N(CCO)Cc2cccc(Br)c2)CCC[NH2+]C1 ZINC000418547204 648301422 /nfs/dbraw/zinc/30/14/22/648301422.db2.gz RBISQNHOTFMQOE-QGZVFWFLSA-N 1 0 384.318 2.343 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000418575239 648302435 /nfs/dbraw/zinc/30/24/35/648302435.db2.gz GVMFIBQIPKGZRO-BMFZPTHFSA-N 1 0 384.318 2.169 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418583982 648302791 /nfs/dbraw/zinc/30/27/91/648302791.db2.gz BPDTYFURBQMZRO-ABAIWWIYSA-N 1 0 388.281 2.090 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000418601438 648304390 /nfs/dbraw/zinc/30/43/90/648304390.db2.gz UMHQLKARMMSKQO-UKPHBRMFSA-N 1 0 398.345 2.206 20 0 GEADRO CCS[C@@H]1CCCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418610699 648304833 /nfs/dbraw/zinc/30/48/33/648304833.db2.gz GWPKIOHEBIJEOO-KGLIPLIRSA-N 1 0 382.496 2.140 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@H]1c1ccccc1I ZINC000418671359 648306911 /nfs/dbraw/zinc/30/69/11/648306911.db2.gz MHJULZOHOZRMBT-MYZSUADSSA-N 1 0 397.260 2.356 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000418674656 648306942 /nfs/dbraw/zinc/30/69/42/648306942.db2.gz PQKVNYBFWOIGBR-DOMZBBRYSA-N 1 0 397.317 2.149 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000418692664 648307253 /nfs/dbraw/zinc/30/72/53/648307253.db2.gz ISBLVHFAZOWJLS-KBPBESRZSA-N 1 0 386.334 2.417 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418696737 648307564 /nfs/dbraw/zinc/30/75/64/648307564.db2.gz BBTJTVCPKURWPV-QWRGUYRKSA-N 1 0 375.300 2.377 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418716932 648307938 /nfs/dbraw/zinc/30/79/38/648307938.db2.gz ZCJPLAGKVNKKRD-AAEUAGOBSA-N 1 0 390.297 2.166 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000418751297 648309164 /nfs/dbraw/zinc/30/91/64/648309164.db2.gz ABTKLQXQWNMGPW-INIZCTEOSA-N 1 0 381.318 2.027 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418761507 648310123 /nfs/dbraw/zinc/31/01/23/648310123.db2.gz KQDHUKWRAXUZIO-BLLLJJGKSA-N 1 0 377.897 2.414 20 0 GEADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418765211 648310627 /nfs/dbraw/zinc/31/06/27/648310627.db2.gz PEKSSNJVABNYPC-MLGOLLRUSA-N 1 0 377.897 2.333 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H](CO)Cc1ccccc1Br ZINC000418766909 648310970 /nfs/dbraw/zinc/31/09/70/648310970.db2.gz KUOXSPJGEQRLLK-ZBFHGGJFSA-N 1 0 398.345 2.432 20 0 GEADRO O=C(NCCc1ccc(Cl)s1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000418769652 648311440 /nfs/dbraw/zinc/31/14/40/648311440.db2.gz VPNFWDADOIIFSI-UKRRQHHQSA-N 1 0 383.945 2.441 20 0 GEADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418777487 648312117 /nfs/dbraw/zinc/31/21/17/648312117.db2.gz YLESLJDRTKLADE-UKRRQHHQSA-N 1 0 398.301 2.293 20 0 GEADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418777485 648312243 /nfs/dbraw/zinc/31/22/43/648312243.db2.gz YLESLJDRTKLADE-HIFRSBDPSA-N 1 0 398.301 2.293 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000418781079 648312705 /nfs/dbraw/zinc/31/27/05/648312705.db2.gz CQNJXLICGLFMLW-WDEREUQCSA-N 1 0 376.320 2.142 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)C[C@H]12 ZINC000418812886 648313604 /nfs/dbraw/zinc/31/36/04/648313604.db2.gz CGXKPHHGJZCXER-GWIBLVFBSA-N 1 0 382.291 2.161 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000418819617 648313928 /nfs/dbraw/zinc/31/39/28/648313928.db2.gz RAEKUTNRONVRKA-YGSHXTJESA-N 1 0 384.307 2.470 20 0 GEADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCC[NH2+]C1 ZINC000418816036 648314000 /nfs/dbraw/zinc/31/40/00/648314000.db2.gz KFLKDVPIXFUUCD-PNPHSEOMSA-N 1 0 384.307 2.471 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418830090 648315038 /nfs/dbraw/zinc/31/50/38/648315038.db2.gz JEVKOEOMQCWURT-MSQAHXEGSA-N 1 0 394.313 2.150 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H]1C[NH3+] ZINC000418834638 648315763 /nfs/dbraw/zinc/31/57/63/648315763.db2.gz OXBXLKDCDBARAE-MSQAHXEGSA-N 1 0 394.313 2.007 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418838506 648315801 /nfs/dbraw/zinc/31/58/01/648315801.db2.gz BEWCJBYMISKGGB-ZDUSSCGKSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418841201 648316158 /nfs/dbraw/zinc/31/61/58/648316158.db2.gz GPZYCGIFVLJGLO-BLLLJJGKSA-N 1 0 396.329 2.130 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000418839971 648316253 /nfs/dbraw/zinc/31/62/53/648316253.db2.gz XGLABPTYHRVOMT-IMSIIYSGSA-N 1 0 388.295 2.400 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000418842198 648316740 /nfs/dbraw/zinc/31/67/40/648316740.db2.gz HZRLALNUNUQGTG-BBRMVZONSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000418846708 648317035 /nfs/dbraw/zinc/31/70/35/648317035.db2.gz SMZPMFIWNMRIHD-VNHYZAJKSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418860177 648319125 /nfs/dbraw/zinc/31/91/25/648319125.db2.gz LLZHZPOVIONMAS-NXEZZACHSA-N 1 0 376.259 2.426 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000418872907 648320359 /nfs/dbraw/zinc/32/03/59/648320359.db2.gz XHGMAZXESOQHIB-DOMZBBRYSA-N 1 0 384.318 2.458 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418946094 648323638 /nfs/dbraw/zinc/32/36/38/648323638.db2.gz QWDOXVPZJPKFOD-HOTGVXAUSA-N 1 0 396.329 2.384 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418947610 648323966 /nfs/dbraw/zinc/32/39/66/648323966.db2.gz SPHBBKCHRAJURF-NORZTCDRSA-N 1 0 394.313 2.138 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000418947543 648324057 /nfs/dbraw/zinc/32/40/57/648324057.db2.gz BAXWUVHKADOUFG-IMSIIYSGSA-N 1 0 388.295 2.400 20 0 GEADRO CO[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000418948564 648324390 /nfs/dbraw/zinc/32/43/90/648324390.db2.gz CKDWHONKAYHBBK-WXHSDQCUSA-N 1 0 388.295 2.135 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418953524 648325142 /nfs/dbraw/zinc/32/51/42/648325142.db2.gz WJIVBLMFOQLQFO-JKSUJKDBSA-N 1 0 394.313 2.275 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419021440 648328021 /nfs/dbraw/zinc/32/80/21/648328021.db2.gz MGIKCIWGZCTIFI-VNHYZAJKSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419023676 648328229 /nfs/dbraw/zinc/32/82/29/648328229.db2.gz OZLLSLCBYLLZMR-MELADBBJSA-N 1 0 396.329 2.095 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419029603 648328690 /nfs/dbraw/zinc/32/86/90/648328690.db2.gz YPEJOYAELLZLKL-XPKDYRNWSA-N 1 0 396.329 2.130 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000419040756 648328964 /nfs/dbraw/zinc/32/89/64/648328964.db2.gz JFCFQJANNLZYLG-SECBINFHSA-N 1 0 380.436 2.173 20 0 GEADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419041082 648329471 /nfs/dbraw/zinc/32/94/71/648329471.db2.gz NEEAXCNOJZJXEE-SNVBAGLBSA-N 1 0 394.686 2.010 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419041623 648329551 /nfs/dbraw/zinc/32/95/51/648329551.db2.gz OAWRTDNGUOIASN-GASCZTMLSA-N 1 0 384.307 2.395 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)c1nc(C(F)(F)F)cs1 ZINC000419045729 648329766 /nfs/dbraw/zinc/32/97/66/648329766.db2.gz TXHCUHBWKUHIOU-NXEZZACHSA-N 1 0 380.436 2.219 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H](C)Cc1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000419051652 648330378 /nfs/dbraw/zinc/33/03/78/648330378.db2.gz GGDYRIDANHNJNW-ZFWWWQNUSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419053677 648330728 /nfs/dbraw/zinc/33/07/28/648330728.db2.gz KIUDLLKDKJXTTH-LSDHHAIUSA-N 1 0 398.345 2.376 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419055221 648331119 /nfs/dbraw/zinc/33/11/19/648331119.db2.gz NTELLQVWMDNISY-UKRRQHHQSA-N 1 0 396.329 2.002 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419056556 648331247 /nfs/dbraw/zinc/33/12/47/648331247.db2.gz RLYMSOLFYPQWKQ-CQSZACIVSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419058587 648331800 /nfs/dbraw/zinc/33/18/00/648331800.db2.gz WPMDDBDYHVDISF-NWANDNLSSA-N 1 0 396.329 2.130 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419078688 648332937 /nfs/dbraw/zinc/33/29/37/648332937.db2.gz ZFSLYLWDWYSETA-CHWSQXEVSA-N 1 0 388.693 2.105 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419090058 648333337 /nfs/dbraw/zinc/33/33/37/648333337.db2.gz AWCDXCYOQYSIOP-JTQLQIEISA-N 1 0 378.325 2.196 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419094208 648333413 /nfs/dbraw/zinc/33/34/13/648333413.db2.gz JHZROWFKENEPDN-SNVBAGLBSA-N 1 0 378.325 2.054 20 0 GEADRO C[C@H](NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)[C@@H]1CCC[NH2+]C1 ZINC000419094996 648333731 /nfs/dbraw/zinc/33/37/31/648333731.db2.gz BWFKHACROZRMSQ-WDEREUQCSA-N 1 0 380.901 2.070 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419095047 648333767 /nfs/dbraw/zinc/33/37/67/648333767.db2.gz CBADTKBLXHQSPE-GXFFZTMASA-N 1 0 380.901 2.294 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419104313 648334549 /nfs/dbraw/zinc/33/45/49/648334549.db2.gz UEKQTVFYKKZJEF-GTHQTRTESA-N 1 0 382.291 2.496 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419121333 648335045 /nfs/dbraw/zinc/33/50/45/648335045.db2.gz DDQJPWCNTXTPCY-WBMJQRKESA-N 1 0 377.897 2.414 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000419127468 648335462 /nfs/dbraw/zinc/33/54/62/648335462.db2.gz QOSMDVZCMHELKG-LYRGGWFBSA-N 1 0 377.897 2.413 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419125965 648335540 /nfs/dbraw/zinc/33/55/40/648335540.db2.gz LTMVTXNYRQRENL-BLLLJJGKSA-N 1 0 377.897 2.427 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000419127470 648335564 /nfs/dbraw/zinc/33/55/64/648335564.db2.gz QOSMDVZCMHELKG-XFBWCDHKSA-N 1 0 377.897 2.413 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000419133579 648336156 /nfs/dbraw/zinc/33/61/56/648336156.db2.gz IVXYATSWVSBZDS-BXUZGUMPSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000419134555 648336847 /nfs/dbraw/zinc/33/68/47/648336847.db2.gz KIACUECMRBNICL-WCQYABFASA-N 1 0 388.295 2.135 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000419157888 648337877 /nfs/dbraw/zinc/33/78/77/648337877.db2.gz WZCLZVFELWBKEH-SLEUVZQESA-N 1 0 382.302 2.355 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000419157890 648338008 /nfs/dbraw/zinc/33/80/08/648338008.db2.gz WZCLZVFELWBKEH-XUJVJEKNSA-N 1 0 382.302 2.355 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)c1Br ZINC000419162078 648338454 /nfs/dbraw/zinc/33/84/54/648338454.db2.gz FQNFZDNNVXDRDR-UHFFFAOYSA-N 1 0 382.302 2.152 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419162632 648338808 /nfs/dbraw/zinc/33/88/08/648338808.db2.gz HOFPACGDHYNSFC-UHFFFAOYSA-N 1 0 382.302 2.152 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000419171352 648339415 /nfs/dbraw/zinc/33/94/15/648339415.db2.gz XLHHEDOBONQVFC-UHFFFAOYSA-N 1 0 388.295 2.012 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1)C1CC1 ZINC000419179263 648339773 /nfs/dbraw/zinc/33/97/73/648339773.db2.gz VREZARHIAUQFMC-CQSZACIVSA-N 1 0 384.307 2.385 20 0 GEADRO CCCN(C(=O)C(=O)NCc1ccsc1Br)C1CC[NH2+]CC1 ZINC000419186773 648340267 /nfs/dbraw/zinc/34/02/67/648340267.db2.gz QHXRGRWXQDDLEP-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419186207 648340329 /nfs/dbraw/zinc/34/03/29/648340329.db2.gz LPKNJKAOHLEZPL-CHWSQXEVSA-N 1 0 396.329 2.039 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419185969 648340333 /nfs/dbraw/zinc/34/03/33/648340333.db2.gz HTTCMJRLNSXJTK-OAHLLOKOSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)C[C@@H](C)[NH2+]1 ZINC000419195653 648341000 /nfs/dbraw/zinc/34/10/00/648341000.db2.gz YKMVFEBROFBHRS-CHWSQXEVSA-N 1 0 396.329 2.052 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)[C@H]1CCC[NH2+]C1 ZINC000419225951 648342180 /nfs/dbraw/zinc/34/21/80/648342180.db2.gz CXEUFFOOQKHETM-HUBLWGQQSA-N 1 0 381.929 2.497 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000419220230 648342319 /nfs/dbraw/zinc/34/23/19/648342319.db2.gz UFVNYGSZODYANY-IUODEOHRSA-N 1 0 381.929 2.451 20 0 GEADRO CCC[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000419307520 648346671 /nfs/dbraw/zinc/34/66/71/648346671.db2.gz UGNXZZKLIKWUJW-DOMZBBRYSA-N 1 0 388.295 2.055 20 0 GEADRO CN(CC[NH3+])C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000419361621 648350003 /nfs/dbraw/zinc/35/00/03/648350003.db2.gz BCHHWMJSJVSMDW-UHFFFAOYSA-N 1 0 396.329 2.184 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)Cc1cccc(Br)c1 ZINC000419363851 648350549 /nfs/dbraw/zinc/35/05/49/648350549.db2.gz PIVSLPXMRJHOSU-CYBMUJFWSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H](C)[C@H]1C ZINC000419381832 648351072 /nfs/dbraw/zinc/35/10/72/648351072.db2.gz YSPPYJJAMXPHFP-AGIUHOORSA-N 1 0 382.302 2.480 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419380096 648351204 /nfs/dbraw/zinc/35/12/04/648351204.db2.gz XBNHGTPWMYCTGK-CYBMUJFWSA-N 1 0 396.329 2.183 20 0 GEADRO C[C@H]1[C@@H](C)[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000419381834 648351229 /nfs/dbraw/zinc/35/12/29/648351229.db2.gz YSPPYJJAMXPHFP-JHJVBQTASA-N 1 0 382.302 2.480 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCc1ccc(Br)s1 ZINC000419418857 648351353 /nfs/dbraw/zinc/35/13/53/648351353.db2.gz YQYVQGHKPSCCOR-RYUDHWBXSA-N 1 0 390.347 2.150 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1cc(F)ccc1Br ZINC000419416923 648351764 /nfs/dbraw/zinc/35/17/64/648351764.db2.gz AIRZGNNDOGTKGI-VXGBXAGGSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(Br)s1 ZINC000419424152 648351807 /nfs/dbraw/zinc/35/18/07/648351807.db2.gz CJJDJDNJDDEMLZ-QWRGUYRKSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2sccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000419434305 648352754 /nfs/dbraw/zinc/35/27/54/648352754.db2.gz IVNRIBNZIZODQG-MNOVXSKESA-N 1 0 376.320 2.107 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000419433739 648352869 /nfs/dbraw/zinc/35/28/69/648352869.db2.gz ZXKAPXUCWHARBJ-RYUDHWBXSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)CC[NH2+]1 ZINC000419501394 648354464 /nfs/dbraw/zinc/35/44/64/648354464.db2.gz BGFQICBWVKSRSU-WFASDCNBSA-N 1 0 396.329 2.100 20 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/nfs/dbraw/zinc/36/76/66/648367666.db2.gz HTFSRWSOXCDEMI-GHMZBOCLSA-N 1 0 388.331 2.288 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419709506 648368692 /nfs/dbraw/zinc/36/86/92/648368692.db2.gz OUYZZTRUNOFXKM-LBPRGKRZSA-N 1 0 392.363 2.307 20 0 GEADRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)OC ZINC000419714183 648369977 /nfs/dbraw/zinc/36/99/77/648369977.db2.gz SREUUESURWXYMJ-ZWNOBZJWSA-N 1 0 379.320 2.247 20 0 GEADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1C ZINC000419728212 648371742 /nfs/dbraw/zinc/37/17/42/648371742.db2.gz XUXGLPSUUVLMBN-MRXNPFEDSA-N 1 0 382.913 2.297 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419747928 648374368 /nfs/dbraw/zinc/37/43/68/648374368.db2.gz NUYRNNDNFBMSBB-LRDDRELGSA-N 1 0 396.329 2.130 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419754633 648375259 /nfs/dbraw/zinc/37/52/59/648375259.db2.gz AOLQNVSXTCBIHN-CYBMUJFWSA-N 1 0 386.265 2.009 20 0 GEADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(=O)NCCC[NH3+] ZINC000419765081 648376412 /nfs/dbraw/zinc/37/64/12/648376412.db2.gz QNMUBZUINNAJHE-SNVBAGLBSA-N 1 0 380.901 2.414 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419769422 648376647 /nfs/dbraw/zinc/37/66/47/648376647.db2.gz CLYMKSBVKIRTFY-CYZMBNFOSA-N 1 0 398.301 2.021 20 0 GEADRO CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1cc(F)cc(Br)c1 ZINC000419773502 648377390 /nfs/dbraw/zinc/37/73/90/648377390.db2.gz HNDPIYJZGSXVCP-KGLIPLIRSA-N 1 0 388.281 2.255 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)C1 ZINC000419778836 648377629 /nfs/dbraw/zinc/37/76/29/648377629.db2.gz MTVFYSDEPOJRNA-GJZGRUSLSA-N 1 0 398.276 2.105 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000419786317 648379050 /nfs/dbraw/zinc/37/90/50/648379050.db2.gz YHTTXIUYXMCUHF-HNNXBMFYSA-N 1 0 398.276 2.105 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000419786285 648379189 /nfs/dbraw/zinc/37/91/89/648379189.db2.gz YFDGQIIJPZJLMM-KGLIPLIRSA-N 1 0 386.265 2.009 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000419797030 648379462 /nfs/dbraw/zinc/37/94/62/648379462.db2.gz RIGTVQHLAOMKHO-IVMMDQJWSA-N 1 0 384.307 2.238 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419810126 648381071 /nfs/dbraw/zinc/38/10/71/648381071.db2.gz XDIWKXQOZNDICC-UHFFFAOYSA-N 1 0 388.331 2.247 20 0 GEADRO CC(C)OCC(C)(C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419813888 648381532 /nfs/dbraw/zinc/38/15/32/648381532.db2.gz VMBPSNNGKAKTOP-UHFFFAOYSA-N 1 0 379.320 2.390 20 0 GEADRO CO[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)CC(C)C ZINC000419827111 648382729 /nfs/dbraw/zinc/38/27/29/648382729.db2.gz AYPFRFBJWYGCBG-LBPRGKRZSA-N 1 0 379.320 2.247 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838536 648384422 /nfs/dbraw/zinc/38/44/22/648384422.db2.gz FZMQALMRRQVATG-AWEZNQCLSA-N 1 0 382.302 2.056 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000419850021 648385257 /nfs/dbraw/zinc/38/52/57/648385257.db2.gz ZRIOXPWMHMXWGE-CQSZACIVSA-N 1 0 382.291 2.477 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)NCCC[NH2+]C)Oc1ccc(Cl)c(Cl)c1 ZINC000419849722 648385319 /nfs/dbraw/zinc/38/53/19/648385319.db2.gz ZHWUVQRBUBSRJM-GFCCVEGCSA-N 1 0 390.311 2.335 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000419869400 648386181 /nfs/dbraw/zinc/38/61/81/648386181.db2.gz WCAYNBHOZPYBDG-CJNGLKHVSA-N 1 0 381.929 2.072 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000419890236 648386757 /nfs/dbraw/zinc/38/67/57/648386757.db2.gz IFZMAQHJVHUDDX-WBMJQRKESA-N 1 0 375.519 2.152 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000419889794 648386806 /nfs/dbraw/zinc/38/68/06/648386806.db2.gz HJZVNZMLVOXECZ-BZUAXINKSA-N 1 0 381.929 2.343 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419895292 648386931 /nfs/dbraw/zinc/38/69/31/648386931.db2.gz RYPRTMZJQMVRHP-INIZCTEOSA-N 1 0 394.313 2.023 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000419906388 648387331 /nfs/dbraw/zinc/38/73/31/648387331.db2.gz ZYRAQDNHCKVUOG-OWCLPIDISA-N 1 0 394.313 2.499 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000419911970 648388107 /nfs/dbraw/zinc/38/81/07/648388107.db2.gz VBSNMVFOABGIKR-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)NCCC[NH2+]C1CCCCC1 ZINC000419925215 648389039 /nfs/dbraw/zinc/38/90/39/648389039.db2.gz SIWDRYSHPDZZTE-UHFFFAOYSA-N 1 0 384.318 2.430 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419941803 648390293 /nfs/dbraw/zinc/39/02/93/648390293.db2.gz XWLOZDFZTWCIFQ-OAHLLOKOSA-N 1 0 396.329 2.446 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H](C)c1ccccc1Br ZINC000419966005 648391547 /nfs/dbraw/zinc/39/15/47/648391547.db2.gz XWRZCJIGCQOODO-CHWSQXEVSA-N 1 0 384.318 2.458 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419987906 648393270 /nfs/dbraw/zinc/39/32/70/648393270.db2.gz HFJMGEFCMDUYEC-GFCCVEGCSA-N 1 0 382.302 2.041 20 0 GEADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419989244 648393332 /nfs/dbraw/zinc/39/33/32/648393332.db2.gz AQPQELWDMIIQSX-HOTGVXAUSA-N 1 0 394.313 2.371 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419997229 648394158 /nfs/dbraw/zinc/39/41/58/648394158.db2.gz JRWKAWBGOPQDOX-CHWSQXEVSA-N 1 0 382.302 2.227 20 0 GEADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000419997995 648394179 /nfs/dbraw/zinc/39/41/79/648394179.db2.gz KXSLNYCFFWUEBI-CVEARBPZSA-N 1 0 381.929 2.215 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420013001 648395476 /nfs/dbraw/zinc/39/54/76/648395476.db2.gz BKSHZURFOAUMCU-UKRRQHHQSA-N 1 0 382.302 2.041 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420032127 648397375 /nfs/dbraw/zinc/39/73/75/648397375.db2.gz FYRNAFMCRZKGRY-XUJVJEKNSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000420053909 648398433 /nfs/dbraw/zinc/39/84/33/648398433.db2.gz DYIQLGAREPBIOY-CZUORRHYSA-N 1 0 375.519 2.137 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420056226 648398825 /nfs/dbraw/zinc/39/88/25/648398825.db2.gz BEJDTOXMLXYQRK-OAHLLOKOSA-N 1 0 382.302 2.041 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1)C1CC1 ZINC000420067053 648399347 /nfs/dbraw/zinc/39/93/47/648399347.db2.gz RUTHZYZTKARLEB-MNOVXSKESA-N 1 0 386.315 2.028 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420070775 648399626 /nfs/dbraw/zinc/39/96/26/648399626.db2.gz VSSMTWOUCWZWQN-HOCLYGCPSA-N 1 0 396.329 2.431 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000420072344 648399685 /nfs/dbraw/zinc/39/96/85/648399685.db2.gz FERNOWQMEDDPQJ-UHFFFAOYSA-N 1 0 382.302 2.009 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000420105542 648401999 /nfs/dbraw/zinc/40/19/99/648401999.db2.gz SQVHDBUMVGIPDN-WQGACYEGSA-N 1 0 394.313 2.009 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420102446 648402007 /nfs/dbraw/zinc/40/20/07/648402007.db2.gz NRVPRZLNACLHMJ-XUJVJEKNSA-N 1 0 382.302 2.083 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420113619 648402483 /nfs/dbraw/zinc/40/24/83/648402483.db2.gz FGVAAWBATXIMCL-UHFFFAOYSA-N 1 0 396.329 2.431 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420118077 648402758 /nfs/dbraw/zinc/40/27/58/648402758.db2.gz IFBCATLVRKBIAI-BBRMVZONSA-N 1 0 396.329 2.443 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420129015 648403832 /nfs/dbraw/zinc/40/38/32/648403832.db2.gz QJRYXWKHAMGJQD-AGIUHOORSA-N 1 0 382.302 2.225 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420129023 648404302 /nfs/dbraw/zinc/40/43/02/648404302.db2.gz QJRYXWKHAMGJQD-UPJWGTAASA-N 1 0 382.302 2.225 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420129020 648404336 /nfs/dbraw/zinc/40/43/36/648404336.db2.gz QJRYXWKHAMGJQD-JHJVBQTASA-N 1 0 382.302 2.225 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2[C@H]1C ZINC000420136083 648404889 /nfs/dbraw/zinc/40/48/89/648404889.db2.gz FLKMLASJKKUILM-XHBSWPGZSA-N 1 0 394.313 2.009 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000420145998 648405376 /nfs/dbraw/zinc/40/53/76/648405376.db2.gz POLFWWCQAALHIG-HIFRSBDPSA-N 1 0 397.317 2.141 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420142446 648405396 /nfs/dbraw/zinc/40/53/96/648405396.db2.gz ZFXXVQMALFXMMJ-CYBMUJFWSA-N 1 0 394.313 2.110 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000420141459 648405599 /nfs/dbraw/zinc/40/55/99/648405599.db2.gz RQPOVOUBVFGXTR-UHFFFAOYSA-N 1 0 398.326 2.038 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000420161675 648407143 /nfs/dbraw/zinc/40/71/43/648407143.db2.gz WQGZUYNJKAPVDP-CYBMUJFWSA-N 1 0 396.329 2.269 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420173080 648407695 /nfs/dbraw/zinc/40/76/95/648407695.db2.gz WJRWGZMKGRCRNV-HNNXBMFYSA-N 1 0 396.329 2.302 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420183793 648408335 /nfs/dbraw/zinc/40/83/35/648408335.db2.gz AHGPWKQEWRCHBD-DZGCQCFKSA-N 1 0 396.329 2.431 20 0 GEADRO Ic1ccc2ncnc(NCC[C@@H]3CCC[NH2+]C3)c2c1 ZINC000420193282 648408822 /nfs/dbraw/zinc/40/88/22/648408822.db2.gz IUAAEGVZHDSHQC-NSHDSACASA-N 1 0 382.249 3.036 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000420217304 648409791 /nfs/dbraw/zinc/40/97/91/648409791.db2.gz XMQGJAQHILIHOJ-DAXOMENPSA-N 1 0 381.929 2.200 20 0 GEADRO [NH3+]CCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000420297315 648413043 /nfs/dbraw/zinc/41/30/43/648413043.db2.gz CWWLBGMXSWSJHC-UHFFFAOYSA-N 1 0 385.839 2.014 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000420360420 648414128 /nfs/dbraw/zinc/41/41/28/648414128.db2.gz HCFMXENFDQIVOA-JRPNMDOOSA-N 1 0 387.265 2.206 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000420353467 648414149 /nfs/dbraw/zinc/41/41/49/648414149.db2.gz BXLLNUSKXWDXAM-INIZCTEOSA-N 1 0 398.345 2.264 20 0 GEADRO [NH3+]C[C@H](NCc1nnnn1-c1ccccc1Br)C1CCCCC1 ZINC000420376664 648414709 /nfs/dbraw/zinc/41/47/09/648414709.db2.gz VJXBKXIHEMQNBN-AWEZNQCLSA-N 1 0 379.306 2.422 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420406239 648415833 /nfs/dbraw/zinc/41/58/33/648415833.db2.gz QWOQJTDFCXEFHQ-BLLLJJGKSA-N 1 0 399.276 2.446 20 0 GEADRO C[C@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000420395857 648415999 /nfs/dbraw/zinc/41/59/99/648415999.db2.gz DSAYRGAUMQOICE-STQMWFEESA-N 1 0 375.332 2.140 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000420445248 648416412 /nfs/dbraw/zinc/41/64/12/648416412.db2.gz DOMPMGXGTYPCGB-LBPRGKRZSA-N 1 0 376.906 2.174 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000420448359 648416951 /nfs/dbraw/zinc/41/69/51/648416951.db2.gz LHKJRUUCIDNZQI-LBPRGKRZSA-N 1 0 383.283 2.249 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420471496 648419734 /nfs/dbraw/zinc/41/97/34/648419734.db2.gz ATAVHAXZAXZRFD-UWVGGRQHSA-N 1 0 395.294 2.202 20 0 GEADRO COc1cc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1Br ZINC000420475747 648420908 /nfs/dbraw/zinc/42/09/08/648420908.db2.gz HKIIYAMAMUICEF-QMTHXVAHSA-N 1 0 377.304 2.063 20 0 GEADRO CC(=O)N[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000420979536 648461196 /nfs/dbraw/zinc/46/11/96/648461196.db2.gz DIAWHFXTTHHBRS-CQSZACIVSA-N 1 0 388.249 2.271 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)Nc2ccncc2I)CC1 ZINC000421084748 648465042 /nfs/dbraw/zinc/46/50/42/648465042.db2.gz HDRWHNCDLGGCQM-UHFFFAOYSA-N 1 0 388.253 2.102 20 0 GEADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc[nH]c(=O)c3Br)n2)CC1 ZINC000514770133 648465546 /nfs/dbraw/zinc/46/55/46/648465546.db2.gz SDXSEUISCAPUCA-UHFFFAOYSA-N 1 0 380.246 2.265 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cc2)C1 ZINC000421231183 648475078 /nfs/dbraw/zinc/47/50/78/648475078.db2.gz WKOKMLPSLLFGQH-HNNXBMFYSA-N 1 0 382.302 2.006 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000421369430 648488875 /nfs/dbraw/zinc/48/88/75/648488875.db2.gz BFDZLVWRXIUOAV-UHFFFAOYSA-N 1 0 396.329 2.097 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000421518479 648495815 /nfs/dbraw/zinc/49/58/15/648495815.db2.gz OYMSWOWNRYAIDY-CQSZACIVSA-N 1 0 396.329 2.222 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000421709949 648506084 /nfs/dbraw/zinc/50/60/84/648506084.db2.gz IAEKATKPZTWLDD-TZMCWYRMSA-N 1 0 380.286 2.428 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1nc2c(s1)CC[C@H](C(=O)OC)C2 ZINC000421954981 648514762 /nfs/dbraw/zinc/51/47/62/648514762.db2.gz FCKKNFRBGIJTFA-LBPRGKRZSA-N 1 0 385.555 2.435 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422096488 648521953 /nfs/dbraw/zinc/52/19/53/648521953.db2.gz AJRZPPHESNRTED-MRXNPFEDSA-N 1 0 396.329 2.269 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422109836 648522783 /nfs/dbraw/zinc/52/27/83/648522783.db2.gz VXJQHGSTHQCUNT-LBPRGKRZSA-N 1 0 388.331 2.022 20 0 GEADRO CNc1cc(I)ccc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422129243 648524449 /nfs/dbraw/zinc/52/44/49/648524449.db2.gz GFMPLVQQDDNFPL-GFCCVEGCSA-N 1 0 387.265 2.499 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422300719 648534829 /nfs/dbraw/zinc/53/48/29/648534829.db2.gz DHEWMQUFGBNHDG-HNNXBMFYSA-N 1 0 396.329 2.364 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CS1 ZINC000422352169 648539553 /nfs/dbraw/zinc/53/95/53/648539553.db2.gz DQESLTXLXYGOKB-ORIJERBGSA-N 1 0 381.567 2.257 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1)c1nccs1 ZINC000422393755 648542703 /nfs/dbraw/zinc/54/27/03/648542703.db2.gz ABBGCKOEBMOAGE-CYBMUJFWSA-N 1 0 380.539 2.015 20 0 GEADRO Cc1cnc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000422403687 648543471 /nfs/dbraw/zinc/54/34/71/648543471.db2.gz VKQNBVBAQDOVPQ-ZDUSSCGKSA-N 1 0 380.539 2.281 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000422556721 648559114 /nfs/dbraw/zinc/55/91/14/648559114.db2.gz UKVREFBNEIJWBY-SRVKXCTJSA-N 1 0 376.906 2.351 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422562635 648559551 /nfs/dbraw/zinc/55/95/51/648559551.db2.gz CFRBELAMQORHQY-UHFFFAOYSA-N 1 0 388.262 2.493 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422558673 648559593 /nfs/dbraw/zinc/55/95/93/648559593.db2.gz ZHYUZUIINLRJSF-UTUOFQBUSA-N 1 0 391.331 2.452 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000422604083 648561488 /nfs/dbraw/zinc/56/14/88/648561488.db2.gz NLESTQQVJQWDDT-UHFFFAOYSA-N 1 0 399.333 2.212 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000422631453 648563685 /nfs/dbraw/zinc/56/36/85/648563685.db2.gz FNVMWYQRRGAYSF-LBPRGKRZSA-N 1 0 399.276 2.446 20 0 GEADRO C[C@@H](C[C@H]1COCCN1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422908522 648576863 /nfs/dbraw/zinc/57/68/63/648576863.db2.gz MUDPMNVSSLCABQ-HOCLYGCPSA-N 1 0 398.345 2.154 20 0 GEADRO Cc1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cc1I ZINC000422923586 648577084 /nfs/dbraw/zinc/57/70/84/648577084.db2.gz WRECAHCIMSZMFH-UHFFFAOYSA-N 1 0 399.236 2.182 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])s1 ZINC000422961327 648578903 /nfs/dbraw/zinc/57/89/03/648578903.db2.gz YWMIWORLEMEEFK-WFASDCNBSA-N 1 0 375.560 2.014 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)nn1 ZINC000422974559 648579333 /nfs/dbraw/zinc/57/93/33/648579333.db2.gz FGWODDDCNRVYDH-UHFFFAOYSA-N 1 0 396.264 2.333 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000422995828 648580419 /nfs/dbraw/zinc/58/04/19/648580419.db2.gz ZLDZLEBVZYRTRM-HNNXBMFYSA-N 1 0 384.318 2.239 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423107527 648580473 /nfs/dbraw/zinc/58/04/73/648580473.db2.gz SGUMPYXWXPBETJ-OAHLLOKOSA-N 1 0 382.302 2.136 20 0 GEADRO [NH3+][C@H]1C[C@@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000423112694 648581432 /nfs/dbraw/zinc/58/14/32/648581432.db2.gz JZVNCRGCTKPAGZ-JKSUJKDBSA-N 1 0 383.876 2.492 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000423110899 648581618 /nfs/dbraw/zinc/58/16/18/648581618.db2.gz WFLWMMQJPDMCFU-UHFFFAOYSA-N 1 0 384.318 2.254 20 0 GEADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423113208 648581964 /nfs/dbraw/zinc/58/19/64/648581964.db2.gz KNMUYDYCXYVJDX-WCQYABFASA-N 1 0 388.295 2.089 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000423115300 648582147 /nfs/dbraw/zinc/58/21/47/648582147.db2.gz XRWPFIRSINABQH-JGGQBBKZSA-N 1 0 394.313 2.308 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423128877 648583393 /nfs/dbraw/zinc/58/33/93/648583393.db2.gz QRUKVNOJNMEDNP-SFHVURJKSA-N 1 0 396.329 2.385 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@@H]2COCCN2)cc1Br ZINC000423149862 648584292 /nfs/dbraw/zinc/58/42/92/648584292.db2.gz BBDYFCLDKIZYOK-HYVNUMGLSA-N 1 0 385.346 2.265 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)C1 ZINC000423172794 648586723 /nfs/dbraw/zinc/58/67/23/648586723.db2.gz VGSYHFXOQKQHHH-ZYHUDNBSSA-N 1 0 388.331 2.055 20 0 GEADRO C[C@H](NCC1([NH3+])CCCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423175168 648587110 /nfs/dbraw/zinc/58/71/10/648587110.db2.gz DHNIIETYBAJELV-NSHDSACASA-N 1 0 390.347 2.409 20 0 GEADRO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)cc1F ZINC000423376654 648590208 /nfs/dbraw/zinc/59/02/08/648590208.db2.gz DWPSINCTFUTHAI-CABZTGNLSA-N 1 0 399.230 2.470 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423462058 648591271 /nfs/dbraw/zinc/59/12/71/648591271.db2.gz VAZAXKVHBWFPIW-AWEZNQCLSA-N 1 0 396.329 2.303 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000423467288 648591462 /nfs/dbraw/zinc/59/14/62/648591462.db2.gz DMEFIWYYSHJOGA-STQMWFEESA-N 1 0 394.313 2.105 20 0 GEADRO CC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423475479 648592167 /nfs/dbraw/zinc/59/21/67/648592167.db2.gz IAVQJXORRYZESI-GXTWGEPZSA-N 1 0 381.876 2.286 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC[NH2+]1 ZINC000423501232 648593189 /nfs/dbraw/zinc/59/31/89/648593189.db2.gz BCCRTTWRMYDEFT-XHDPSFHLSA-N 1 0 398.276 2.072 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000423501151 648593208 /nfs/dbraw/zinc/59/32/08/648593208.db2.gz AYVVMXWIPNXQQW-GJZGRUSLSA-N 1 0 398.276 2.072 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000423529492 648594812 /nfs/dbraw/zinc/59/48/12/648594812.db2.gz VTQBFFJAZWDYGX-DOMZBBRYSA-N 1 0 398.276 2.072 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000423550915 648595105 /nfs/dbraw/zinc/59/51/05/648595105.db2.gz BESOIJZFSWCVJO-FAXLKDOZSA-N 1 0 394.313 2.164 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423563682 648595483 /nfs/dbraw/zinc/59/54/83/648595483.db2.gz NWXSEVYJBMUHRC-MCIONIFRSA-N 1 0 394.313 2.321 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423560065 648595627 /nfs/dbraw/zinc/59/56/27/648595627.db2.gz KSMKTFLAPLZPAB-SNUQEOBHSA-N 1 0 396.329 2.412 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423571638 648595956 /nfs/dbraw/zinc/59/59/56/648595956.db2.gz VZBACDRLGSBVSE-MGPQQGTHSA-N 1 0 394.313 2.036 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423571713 648595967 /nfs/dbraw/zinc/59/59/67/648595967.db2.gz WLUXJYAUHRWJEV-MGPQQGTHSA-N 1 0 396.329 2.412 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423609316 648597212 /nfs/dbraw/zinc/59/72/12/648597212.db2.gz YONZPEDLBDDFTQ-CQSZACIVSA-N 1 0 396.329 2.385 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000423656044 648598395 /nfs/dbraw/zinc/59/83/95/648598395.db2.gz TWWOVOACNHWUNO-IOASZLSFSA-N 1 0 381.929 2.229 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423668694 648599005 /nfs/dbraw/zinc/59/90/05/648599005.db2.gz WKAZSRWXKMWRQW-CJNGLKHVSA-N 1 0 381.929 2.101 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423663710 648599052 /nfs/dbraw/zinc/59/90/52/648599052.db2.gz DJYPNBDBHTUHTL-BBRMVZONSA-N 1 0 396.329 2.178 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)N(C)[C@@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000423715344 648600260 /nfs/dbraw/zinc/60/02/60/648600260.db2.gz HINCOOPVZYLJQL-QWRGUYRKSA-N 1 0 376.284 2.025 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)N(C)[C@@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000423715931 648600418 /nfs/dbraw/zinc/60/04/18/648600418.db2.gz HZTIPOWSTITXFJ-NWDGAFQWSA-N 1 0 390.311 2.415 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000423735273 648600947 /nfs/dbraw/zinc/60/09/47/648600947.db2.gz PBCHGWMSNHCPDY-SECBINFHSA-N 1 0 377.080 2.477 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423743024 648601231 /nfs/dbraw/zinc/60/12/31/648601231.db2.gz LNRJJPBWAZXVMB-INIZCTEOSA-N 1 0 396.329 2.051 20 0 GEADRO COC[C@]1(C(=O)NCCCc2ccc(Br)cc2OC)CC[NH2+]C1 ZINC000423858032 648602816 /nfs/dbraw/zinc/60/28/16/648602816.db2.gz ZRHDCOFOKWXKMF-KRWDZBQOSA-N 1 0 385.302 2.133 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)N2CCc3c(Br)ccc(F)c3C2)nn1 ZINC000423873805 648603063 /nfs/dbraw/zinc/60/30/63/648603063.db2.gz LKUCXLAYRHJYHY-UHFFFAOYSA-N 1 0 396.264 2.117 20 0 GEADRO C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)C[C@H]1[NH3+] ZINC000423949224 648604619 /nfs/dbraw/zinc/60/46/19/648604619.db2.gz KLJXRJBPRYAUMV-TZMCWYRMSA-N 1 0 385.555 2.168 20 0 GEADRO CN(CC(=O)N[C@H](C[NH3+])C1CCCC1)C(=O)c1ccc(Br)s1 ZINC000423953237 648605204 /nfs/dbraw/zinc/60/52/04/648605204.db2.gz JJADOSZHJHXDPK-LLVKDONJSA-N 1 0 388.331 2.216 20 0 GEADRO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@@]1(C)C[NH3+] ZINC000423983555 648606909 /nfs/dbraw/zinc/60/69/09/648606909.db2.gz MWVWRYXUXKMGJU-SJKOYZFVSA-N 1 0 382.302 2.012 20 0 GEADRO COc1ccc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(I)c1 ZINC000423983237 648606928 /nfs/dbraw/zinc/60/69/28/648606928.db2.gz LWDVABHXZAPDCO-MEBBXXQBSA-N 1 0 388.249 2.357 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CCc3ccc(Br)cc3)C2)nn1 ZINC000423997811 648607855 /nfs/dbraw/zinc/60/78/55/648607855.db2.gz IEUMCQTXYNDYKV-MRXNPFEDSA-N 1 0 392.301 2.296 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)Cc3ccc(F)c(Br)c3)C2)nn1 ZINC000424001018 648608663 /nfs/dbraw/zinc/60/86/63/648608663.db2.gz MKJRZZDDLQDAJT-ZDUSSCGKSA-N 1 0 396.264 2.045 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424013685 648609683 /nfs/dbraw/zinc/60/96/83/648609683.db2.gz KYICNHXIINJXQV-OBJOEFQTSA-N 1 0 382.302 2.011 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000424009443 648609803 /nfs/dbraw/zinc/60/98/03/648609803.db2.gz JIAWYLRKFPXOPQ-CVEARBPZSA-N 1 0 395.297 2.377 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424014285 648610081 /nfs/dbraw/zinc/61/00/81/648610081.db2.gz LJGVGXJCPYOFNO-OUAUKWLOSA-N 1 0 388.331 2.072 20 0 GEADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@H]1C[NH3+] ZINC000424069346 648610159 /nfs/dbraw/zinc/61/01/59/648610159.db2.gz ISCBNNHZBSRBSC-GMTAPVOTSA-N 1 0 396.285 2.225 20 0 GEADRO C[NH2+]CCCN(C)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000424203611 648617454 /nfs/dbraw/zinc/61/74/54/648617454.db2.gz UJEQJBZRDWIRTE-UHFFFAOYSA-N 1 0 391.331 2.071 20 0 GEADRO Cn1cc([C@@H]2CN(CCOc3cc(F)cc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000424291901 648622736 /nfs/dbraw/zinc/62/27/36/648622736.db2.gz MJYHPTJAJJGFKG-JKSUJKDBSA-N 1 0 383.265 2.127 20 0 GEADRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1Cl ZINC000424390056 648625884 /nfs/dbraw/zinc/62/58/84/648625884.db2.gz JCITXPMDCFQTKN-SWLSCSKDSA-N 1 0 389.308 2.151 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000424469855 648629979 /nfs/dbraw/zinc/62/99/79/648629979.db2.gz PTCIXLHVYKNGOK-SECBINFHSA-N 1 0 393.656 2.435 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000424474660 648630696 /nfs/dbraw/zinc/63/06/96/648630696.db2.gz YEANBLKHIPDOQK-NSHDSACASA-N 1 0 379.629 2.187 20 0 GEADRO C[C@@H]1CC2(CN1C(=O)C(=O)NCc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424527429 648632918 /nfs/dbraw/zinc/63/29/18/648632918.db2.gz SYLHWXZSSDLHLK-CYBMUJFWSA-N 1 0 394.313 2.056 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000424802350 648647942 /nfs/dbraw/zinc/64/79/42/648647942.db2.gz ZAVYAASUYRKQLU-GFCCVEGCSA-N 1 0 396.285 2.048 20 0 GEADRO COc1cc2[nH+]ccc(N[C@@H]3CS(=O)(=O)C[C@@H]3C)c2cc1Br ZINC000425267458 648672605 /nfs/dbraw/zinc/67/26/05/648672605.db2.gz LSNYERCIUDLPPD-LKFCYVNXSA-N 1 0 385.283 2.273 20 0 GEADRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000425436694 648677535 /nfs/dbraw/zinc/67/75/35/648677535.db2.gz XAYARWJIIMUCCD-SJORKVTESA-N 1 0 384.567 2.360 20 0 GEADRO CCOC[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425520360 648683377 /nfs/dbraw/zinc/68/33/77/648683377.db2.gz QWGSRMHRCLTBHU-OAGGEKHMSA-N 1 0 386.286 2.035 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C(=O)N1CCCC1 ZINC000425720734 648691203 /nfs/dbraw/zinc/69/12/03/648691203.db2.gz BZNSBFZAXOKNNN-UHFFFAOYSA-N 1 0 397.317 2.008 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(F)ccc3Br)[C@@H]2C1 ZINC000425819375 648699110 /nfs/dbraw/zinc/69/91/10/648699110.db2.gz KRRVXLCDPVCZED-IINYFYTJSA-N 1 0 384.249 2.079 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cc(Br)ccc1Cl ZINC000428555719 648736559 /nfs/dbraw/zinc/73/65/59/648736559.db2.gz CIDQBGUQQXOFBL-UHFFFAOYSA-N 1 0 384.727 2.025 20 0 GEADRO C[C@@H](CNC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000428573479 648737847 /nfs/dbraw/zinc/73/78/47/648737847.db2.gz NASPVKAVBZWSEN-DZGCQCFKSA-N 1 0 398.345 2.382 20 0 GEADRO O=S1(=O)CCC(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000429009358 648742249 /nfs/dbraw/zinc/74/22/49/648742249.db2.gz OPHAHBXTDDXSCF-CQSZACIVSA-N 1 0 380.279 2.036 20 0 GEADRO CCCN(C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000429108305 648744692 /nfs/dbraw/zinc/74/46/92/648744692.db2.gz GBRHZFNJKQUZLW-DOMZBBRYSA-N 1 0 382.302 2.168 20 0 GEADRO CN(C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000429145610 648746607 /nfs/dbraw/zinc/74/66/07/648746607.db2.gz YUPWLIFSYBZVJQ-CQSZACIVSA-N 1 0 385.917 2.122 20 0 GEADRO C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC[C@H]1[NH3+] ZINC000429164461 648746985 /nfs/dbraw/zinc/74/69/85/648746985.db2.gz CRBWOWGQPSMDJH-WCQYABFASA-N 1 0 399.563 2.097 20 0 GEADRO C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC[C@@H]1[NH3+] ZINC000429164456 648747305 /nfs/dbraw/zinc/74/73/05/648747305.db2.gz CRBWOWGQPSMDJH-AAEUAGOBSA-N 1 0 399.563 2.097 20 0 GEADRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429292065 648749637 /nfs/dbraw/zinc/74/96/37/648749637.db2.gz HWBGLJKTHJCKMR-BONVTDFDSA-N 1 0 383.286 2.340 20 0 GEADRO CN1CCN(C(=O)CC[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000429675927 648750464 /nfs/dbraw/zinc/75/04/64/648750464.db2.gz ICQFNELQQWMERA-UHFFFAOYSA-N 1 0 388.339 2.342 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000429848241 648754910 /nfs/dbraw/zinc/75/49/10/648754910.db2.gz RLASDPPOJKOTFV-UHFFFAOYSA-N 1 0 394.357 2.478 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430542682 648763510 /nfs/dbraw/zinc/76/35/10/648763510.db2.gz CTYOWAXJVKDXFT-DFBGVHRSSA-N 1 0 399.276 2.445 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1ccccc1I ZINC000430571101 648763935 /nfs/dbraw/zinc/76/39/35/648763935.db2.gz LEXAAZQQOSKVDT-CQSZACIVSA-N 1 0 375.254 2.193 20 0 GEADRO CC[NH+](CC)CCCN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430707045 648765287 /nfs/dbraw/zinc/76/52/87/648765287.db2.gz OVIARVHPTJAVSL-GFCCVEGCSA-N 1 0 392.363 2.479 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000430709583 648765747 /nfs/dbraw/zinc/76/57/47/648765747.db2.gz OCADPWAKTZGABA-AWEZNQCLSA-N 1 0 382.302 2.073 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723992 648766302 /nfs/dbraw/zinc/76/63/02/648766302.db2.gz UNFAAPOJPAZPFB-DMDPSCGWSA-N 1 0 391.331 2.298 20 0 GEADRO CSc1ccc(Cl)c(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000432534631 648778227 /nfs/dbraw/zinc/77/82/27/648778227.db2.gz GGJZHOBAYWMHFG-UHFFFAOYSA-N 1 0 385.961 2.182 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)ccc1Br ZINC000435210729 648783198 /nfs/dbraw/zinc/78/31/98/648783198.db2.gz KFNGDQDWSOGKFI-LLVKDONJSA-N 1 0 377.304 2.172 20 0 GEADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000435725759 648786550 /nfs/dbraw/zinc/78/65/50/648786550.db2.gz ZPEYQPYEMILOQQ-QWHCGFSZSA-N 1 0 376.448 2.026 20 0 GEADRO [NH3+]CC1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC000440743913 648811702 /nfs/dbraw/zinc/81/17/02/648811702.db2.gz ZIJFYPOCQVSNNR-AWEZNQCLSA-N 1 0 388.917 2.115 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000440759393 648812794 /nfs/dbraw/zinc/81/27/94/648812794.db2.gz MFFYLHVPLMNERX-OLZOCXBDSA-N 1 0 376.906 2.126 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000440763033 648812836 /nfs/dbraw/zinc/81/28/36/648812836.db2.gz RYVBKLREKKEGDL-GFCCVEGCSA-N 1 0 376.906 2.126 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c(Br)c1 ZINC000440803452 648813677 /nfs/dbraw/zinc/81/36/77/648813677.db2.gz UKJFNHQJTLTNLF-NSHDSACASA-N 1 0 377.304 2.207 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1Br ZINC000440801708 648813701 /nfs/dbraw/zinc/81/37/01/648813701.db2.gz INENQYQWEWVCNV-NSHDSACASA-N 1 0 377.304 2.207 20 0 GEADRO O=S(=O)(NCC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000440804836 648814163 /nfs/dbraw/zinc/81/41/63/648814163.db2.gz OOPZNHKKXCMVSJ-UKRRQHHQSA-N 1 0 388.917 2.176 20 0 GEADRO C[C@@H](C[NH3+])CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000440833824 648815545 /nfs/dbraw/zinc/81/55/45/648815545.db2.gz MZOXBDZMPOHICM-JSGCOSHPSA-N 1 0 376.906 2.161 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000440844666 648816292 /nfs/dbraw/zinc/81/62/92/648816292.db2.gz NEBICOSZMGAZDX-NZVBXONLSA-N 1 0 389.315 2.206 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(Br)c1 ZINC000442329887 648841606 /nfs/dbraw/zinc/84/16/06/648841606.db2.gz FKDJAVMIWXZCBJ-LLVKDONJSA-N 1 0 396.285 2.163 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)s1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000442730281 648848083 /nfs/dbraw/zinc/84/80/83/648848083.db2.gz QNQVLTHNACCCEP-GMTAPVOTSA-N 1 0 388.331 2.274 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000442799090 648848962 /nfs/dbraw/zinc/84/89/62/648848962.db2.gz YRTHRRVHMVIZOF-WOPDTQHZSA-N 1 0 387.265 2.287 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000442799087 648848983 /nfs/dbraw/zinc/84/89/83/648848983.db2.gz YRTHRRVHMVIZOF-UTUOFQBUSA-N 1 0 387.265 2.287 20 0 GEADRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000442806306 648849740 /nfs/dbraw/zinc/84/97/40/648849740.db2.gz BBTLHSTUUHMNTK-IZHWHUGBSA-N 1 0 384.567 2.423 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000443303160 648871266 /nfs/dbraw/zinc/87/12/66/648871266.db2.gz GJKSWIZWINSHQE-UHFFFAOYSA-N 1 0 377.819 2.031 20 0 GEADRO Cc1nn2c(C[NH2+][C@H]3CCC[C@@H]3CNS(C)(=O)=O)c(C(C)C)nc2s1 ZINC000548780529 651085909 /nfs/dbraw/zinc/08/59/09/651085909.db2.gz BUDVDPDRLNABMX-OLZOCXBDSA-N 1 0 385.559 2.030 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)c(F)cc1Br ZINC000548808887 651086332 /nfs/dbraw/zinc/08/63/32/651086332.db2.gz BGACYHRKYUIEGN-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COC[C@H]1CCCO1 ZINC000548852980 651087477 /nfs/dbraw/zinc/08/74/77/651087477.db2.gz IZTYNJCQXFBOTC-IOASZLSFSA-N 1 0 386.286 2.419 20 0 GEADRO O=C1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H]2CCCCN12 ZINC000548859958 651087652 /nfs/dbraw/zinc/08/76/52/651087652.db2.gz TZNVNGAZBXNTDR-UONOGXRCSA-N 1 0 381.270 2.463 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000548931534 651089500 /nfs/dbraw/zinc/08/95/00/651089500.db2.gz PFIPJJCGMQUNOA-RYUDHWBXSA-N 1 0 391.331 2.390 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)CCOCC(F)(F)C(F)(F)F)C[C@H](C)O1 ZINC000549852158 651101884 /nfs/dbraw/zinc/10/18/84/651101884.db2.gz MBBUVYAJGKJGDH-TXEJJXNPSA-N 1 0 376.366 2.206 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000550362214 651109846 /nfs/dbraw/zinc/10/98/46/651109846.db2.gz PXWMENJKRLBJKW-INIZCTEOSA-N 1 0 394.313 2.198 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000550455076 651111990 /nfs/dbraw/zinc/11/19/90/651111990.db2.gz WVMVLSRSNUGWJY-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)NCc2ccsc2Br)CC1 ZINC000550494803 651112473 /nfs/dbraw/zinc/11/24/73/651112473.db2.gz NEVFUMSWEJOGMX-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Br)cc2)C[C@@H]1C ZINC000550763227 651115196 /nfs/dbraw/zinc/11/51/96/651115196.db2.gz VRERJYUYJUMOGK-XJKSGUPXSA-N 1 0 396.329 2.397 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]CC(C)(F)F)CC2)cc1 ZINC000550883019 651116203 /nfs/dbraw/zinc/11/62/03/651116203.db2.gz WFVWRCHKRPTWSY-UHFFFAOYSA-N 1 0 375.441 2.043 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000550901244 651116326 /nfs/dbraw/zinc/11/63/26/651116326.db2.gz ZJEILAWHWQETIF-ZIAGYGMSSA-N 1 0 378.336 2.371 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]CCCn2cc(Br)cn2)CC1 ZINC000551197372 651119649 /nfs/dbraw/zinc/11/96/49/651119649.db2.gz NUZNTPFIAPSTSR-UHFFFAOYSA-N 1 0 378.336 2.229 20 0 GEADRO O[C@H](C[NH2+][C@H](c1cncc(Br)c1)C1CC1)COC[C@@H]1CCCO1 ZINC000551416913 651124464 /nfs/dbraw/zinc/12/44/64/651124464.db2.gz VREIXFHBOZXLIQ-IKGGRYGDSA-N 1 0 385.302 2.441 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000551436729 651124540 /nfs/dbraw/zinc/12/45/40/651124540.db2.gz VXLIPPVGJHTVQD-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO O=C(NCCSc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551496222 651125973 /nfs/dbraw/zinc/12/59/73/651125973.db2.gz JEMIUBTZDULJJQ-CVEARBPZSA-N 1 0 381.929 2.291 20 0 GEADRO COc1cc(C)nc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000552016422 651137937 /nfs/dbraw/zinc/13/79/37/651137937.db2.gz NGTJRQYLYVDJLL-CQSZACIVSA-N 1 0 381.523 2.261 20 0 GEADRO CC[C@H](COC)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000552089887 651139969 /nfs/dbraw/zinc/13/99/69/651139969.db2.gz YCWANSRGDFRXGW-GFCCVEGCSA-N 1 0 379.320 2.050 20 0 GEADRO Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)s2)cn1 ZINC000552188514 651142913 /nfs/dbraw/zinc/14/29/13/651142913.db2.gz DNTQBNXIOIIPFA-BBRMVZONSA-N 1 0 382.555 2.346 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000552244235 651144616 /nfs/dbraw/zinc/14/46/16/651144616.db2.gz ZZPAYFITZLYLPB-UHFFFAOYSA-N 1 0 392.859 2.178 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ncc(Br)cn1 ZINC000552385874 651147898 /nfs/dbraw/zinc/14/78/98/651147898.db2.gz OEANVCIPIZVGNJ-FZMZJTMJSA-N 1 0 383.290 2.060 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000552499249 651150973 /nfs/dbraw/zinc/15/09/73/651150973.db2.gz XUDNHCGTNPBSGA-NSHDSACASA-N 1 0 386.290 2.089 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000552542517 651152082 /nfs/dbraw/zinc/15/20/82/651152082.db2.gz MBLYZDYMYDRFMI-UHFFFAOYSA-N 1 0 396.329 2.236 20 0 GEADRO C[C@H](NC(=O)C(=O)NCc1sccc1Br)C(C)(C)C[NH+](C)C ZINC000552548798 651152490 /nfs/dbraw/zinc/15/24/90/651152490.db2.gz IMSLSEQEFJPZOO-JTQLQIEISA-N 1 0 390.347 2.219 20 0 GEADRO Cc1c([C@@H](C)[NH2+]CCc2ncn(C)n2)nnn1-c1cccc(Br)c1 ZINC000552582793 651153040 /nfs/dbraw/zinc/15/30/40/651153040.db2.gz XIGPKDSPAMAQAA-LLVKDONJSA-N 1 0 390.289 2.360 20 0 GEADRO C[N@@H+]1CC[C@@H](C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)C1 ZINC000552802629 651158225 /nfs/dbraw/zinc/15/82/25/651158225.db2.gz BVSMAICBAVVWEF-CYBMUJFWSA-N 1 0 381.274 2.219 20 0 GEADRO C[N@@H+]1CCN(c2cc(Br)cnc2C(N)=O)C[C@H]1Cc1ccccc1 ZINC000553347452 651172446 /nfs/dbraw/zinc/17/24/46/651172446.db2.gz WQSVDHJIWYTMPR-OAHLLOKOSA-N 1 0 389.297 2.306 20 0 GEADRO Cc1cc(NCCCNS(=O)(=O)c2ccccc2Br)cc[nH+]1 ZINC000553604135 651182885 /nfs/dbraw/zinc/18/28/85/651182885.db2.gz PTMPQGCOCIYCOM-UHFFFAOYSA-N 1 0 384.299 2.355 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000553860032 651191120 /nfs/dbraw/zinc/19/11/20/651191120.db2.gz RDVHOHSMIRLRAG-SWLSCSKDSA-N 1 0 384.885 2.078 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000554372610 651203160 /nfs/dbraw/zinc/20/31/60/651203160.db2.gz PUAXGQWXWHIBOM-OLZOCXBDSA-N 1 0 388.917 2.480 20 0 GEADRO CC(=O)NCC[N@H+](C[C@H](O)COc1ccccc1Cl)C1CCSCC1 ZINC000555073565 651217538 /nfs/dbraw/zinc/21/75/38/651217538.db2.gz PGKXTDCGDUDJHL-INIZCTEOSA-N 1 0 386.945 2.413 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000555181414 651219846 /nfs/dbraw/zinc/21/98/46/651219846.db2.gz HCRQYTKKEVAUPA-IUODEOHRSA-N 1 0 399.333 2.395 20 0 GEADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000556180142 651237706 /nfs/dbraw/zinc/23/77/06/651237706.db2.gz FYTDRAJJQNMESV-APHBMKBZSA-N 1 0 380.286 2.459 20 0 GEADRO O=C(Nc1ccccc1Br)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000556530020 651246264 /nfs/dbraw/zinc/24/62/64/651246264.db2.gz DBNHEMAFSOQYAL-ZDUSSCGKSA-N 1 0 395.301 2.267 20 0 GEADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000556609631 651247728 /nfs/dbraw/zinc/24/77/28/651247728.db2.gz PJZNUKXICRIILY-IAQYHMDHSA-N 1 0 399.276 2.302 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000557053932 651261197 /nfs/dbraw/zinc/26/11/97/651261197.db2.gz OOZFNOOEAGGYAX-UHFFFAOYSA-N 1 0 396.329 2.400 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000557154052 651265371 /nfs/dbraw/zinc/26/53/71/651265371.db2.gz BUGVPVCASYTLRH-CABCVRRESA-N 1 0 381.318 2.469 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000557153996 651265429 /nfs/dbraw/zinc/26/54/29/651265429.db2.gz AOEKCUJGSSAAFH-ZFWWWQNUSA-N 1 0 381.318 2.327 20 0 GEADRO C[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000557169787 651265631 /nfs/dbraw/zinc/26/56/31/651265631.db2.gz SVNLRGTWZOSQBI-MGPQQGTHSA-N 1 0 382.302 2.467 20 0 GEADRO CC[C@H](SC)C(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000557172820 651265909 /nfs/dbraw/zinc/26/59/09/651265909.db2.gz HTTJWOCTOUSGLM-INIZCTEOSA-N 1 0 387.571 2.387 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000557339143 651268644 /nfs/dbraw/zinc/26/86/44/651268644.db2.gz LPUCSNBPLSEPBB-CYBMUJFWSA-N 1 0 383.283 2.319 20 0 GEADRO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000557918181 651276206 /nfs/dbraw/zinc/27/62/06/651276206.db2.gz NRMZFEGWUQPBDD-UONOGXRCSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1OC(F)F ZINC000558259790 651278314 /nfs/dbraw/zinc/27/83/14/651278314.db2.gz WRZLTSLECQVUEM-CHWSQXEVSA-N 1 0 377.457 2.209 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)C(C)(C)n1cncn1 ZINC000558493791 651280676 /nfs/dbraw/zinc/28/06/76/651280676.db2.gz KRVBIJWJEVIOLQ-OLZOCXBDSA-N 1 0 383.290 2.194 20 0 GEADRO Cc1cc(Br)ccc1C[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000558736808 651283902 /nfs/dbraw/zinc/28/39/02/651283902.db2.gz VFVJVERLPHGATK-ZDUSSCGKSA-N 1 0 375.332 2.471 20 0 GEADRO Cc1nc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000558787258 651285546 /nfs/dbraw/zinc/28/55/46/651285546.db2.gz JKYICCSDYVFNEM-HNNXBMFYSA-N 1 0 380.539 2.200 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000559014165 651289900 /nfs/dbraw/zinc/28/99/00/651289900.db2.gz NPHWFQFZZRVNES-NSHDSACASA-N 1 0 378.885 2.470 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1)C(C)C ZINC000560303664 651306712 /nfs/dbraw/zinc/30/67/12/651306712.db2.gz XRIVMUARBGAKQH-CQSZACIVSA-N 1 0 398.345 2.343 20 0 GEADRO C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)O1 ZINC000560466922 651310387 /nfs/dbraw/zinc/31/03/87/651310387.db2.gz FQWJQRUVSHKHRR-YWPYICTPSA-N 1 0 397.317 2.348 20 0 GEADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cc1cc[nH]n1 ZINC000560459415 651310394 /nfs/dbraw/zinc/31/03/94/651310394.db2.gz KPGYSGCZJCZSJY-LBPRGKRZSA-N 1 0 392.301 2.494 20 0 GEADRO C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)O1 ZINC000560466921 651310400 /nfs/dbraw/zinc/31/04/00/651310400.db2.gz FQWJQRUVSHKHRR-LALPHHSUSA-N 1 0 397.317 2.348 20 0 GEADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)s1 ZINC000560568952 651311581 /nfs/dbraw/zinc/31/15/81/651311581.db2.gz ALKMEPVTKJHQDP-VOAKCMCISA-N 1 0 388.559 2.009 20 0 GEADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)s1 ZINC000560568951 651311603 /nfs/dbraw/zinc/31/16/03/651311603.db2.gz ALKMEPVTKJHQDP-MROQNXINSA-N 1 0 388.559 2.009 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)COc2ccc3cc(Br)ccc3c2)C[C@@H]1O ZINC000560636763 651312942 /nfs/dbraw/zinc/31/29/42/651312942.db2.gz MVNSOKQYJNHNIM-IRXDYDNUSA-N 1 0 393.281 2.114 20 0 GEADRO C[C@@H](NC(=O)Cn1cc(CSCC[NH3+])nn1)c1ccc(Br)cc1 ZINC000603179693 651470648 /nfs/dbraw/zinc/47/06/48/651470648.db2.gz MYYKMRYQPGTFDY-LLVKDONJSA-N 1 0 398.330 2.110 20 0 GEADRO C[C@H]1CCN(C(=O)Cn2cc(CSCC[NH3+])nn2)c2ccccc2S1 ZINC000603178215 651470669 /nfs/dbraw/zinc/47/06/69/651470669.db2.gz GOFZYFYNXOBXCO-ZDUSSCGKSA-N 1 0 377.539 2.388 20 0 GEADRO [NH3+]CCSCc1cn(Cc2cc3c(cc2Br)OCCO3)nn1 ZINC000603179341 651470696 /nfs/dbraw/zinc/47/06/96/651470696.db2.gz JRQBYAIFCDINNY-UHFFFAOYSA-N 1 0 385.287 2.052 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc(CSCC[NH3+])nn1 ZINC000603181617 651470955 /nfs/dbraw/zinc/47/09/55/651470955.db2.gz HTCKFWHUCZZXDH-UHFFFAOYSA-N 1 0 388.324 2.435 20 0 GEADRO C[NH2+][C@H](C)c1cn([C@H](C)C(=O)Nc2ccc(I)cc2)nn1 ZINC000603191515 651471383 /nfs/dbraw/zinc/47/13/83/651471383.db2.gz GRPCKJJGGNTUAV-NXEZZACHSA-N 1 0 399.236 2.363 20 0 GEADRO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)n1cc(CSCC[NH3+])nn1 ZINC000603191638 651471404 /nfs/dbraw/zinc/47/14/04/651471404.db2.gz JSFVFQRBXWDJHQ-LLVKDONJSA-N 1 0 385.896 2.482 20 0 GEADRO [NH3+]CCSCc1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000603238102 651472881 /nfs/dbraw/zinc/47/28/81/651472881.db2.gz XUINAUIZBPDFHU-AWEZNQCLSA-N 1 0 396.314 2.211 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000642689354 651473771 /nfs/dbraw/zinc/47/37/71/651473771.db2.gz ZZDBVMLBHCVZDW-UHFFFAOYSA-N 1 0 395.297 2.406 20 0 GEADRO CCOC(=O)Cc1csc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)n1 ZINC000561088598 651473890 /nfs/dbraw/zinc/47/38/90/651473890.db2.gz FEAMJBQSNJJQAH-CQSZACIVSA-N 1 0 383.539 2.405 20 0 GEADRO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1c(Cl)cccc1Cl ZINC000642756879 651474274 /nfs/dbraw/zinc/47/42/74/651474274.db2.gz SVUSGIBDTJCPNU-JMSVASOKSA-N 1 0 384.307 2.424 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000642719179 651474294 /nfs/dbraw/zinc/47/42/94/651474294.db2.gz KRJOYOOXRXSEJT-MGPQQGTHSA-N 1 0 377.312 2.120 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000642755871 651474394 /nfs/dbraw/zinc/47/43/94/651474394.db2.gz MFUVWZMTMBOHGD-OAHLLOKOSA-N 1 0 396.329 2.101 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2sccc2Br)CC[C@@H]1C(F)(F)F ZINC000717082424 651474726 /nfs/dbraw/zinc/47/47/26/651474726.db2.gz MEJPVNNYQTZDJL-XPUUQOCRSA-N 1 0 393.250 2.411 20 0 GEADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000717051647 651474788 /nfs/dbraw/zinc/47/47/88/651474788.db2.gz UBZRICZKBIYUNM-MRVPVSSYSA-N 1 0 389.287 2.342 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)sc1Br ZINC000717050190 651474794 /nfs/dbraw/zinc/47/47/94/651474794.db2.gz QWPCBIUVCXXUFF-QMMMGPOBSA-N 1 0 389.287 2.342 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)[C@H](C)C1 ZINC000561154101 651475365 /nfs/dbraw/zinc/47/53/65/651475365.db2.gz QFEKPQKARCAGOU-MNOVXSKESA-N 1 0 388.331 2.182 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)NC[C@@H](C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000642910598 651475370 /nfs/dbraw/zinc/47/53/70/651475370.db2.gz JOTCCRYUGYZLGA-GHMZBOCLSA-N 1 0 376.284 2.073 20 0 GEADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H](C2OCCO2)C1)c1ccc(Br)cc1 ZINC000719058256 651475755 /nfs/dbraw/zinc/47/57/55/651475755.db2.gz NNOJPVAGQQPZHN-JSGCOSHPSA-N 1 0 383.286 2.321 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000561166682 651475832 /nfs/dbraw/zinc/47/58/32/651475832.db2.gz XLLSUEZXIKQYOF-OAHLLOKOSA-N 1 0 379.302 2.247 20 0 GEADRO CO[C@]1(C[NH2+]Cc2cc(Br)c(Cl)s2)CCS(=O)(=O)C1 ZINC000721218480 651476744 /nfs/dbraw/zinc/47/67/44/651476744.db2.gz ISSMCKFCANLXNA-NSHDSACASA-N 1 0 388.736 2.457 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000561267170 651477271 /nfs/dbraw/zinc/47/72/71/651477271.db2.gz VUNAVPFDQWSVRK-LBPRGKRZSA-N 1 0 390.311 2.335 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000643089360 651477381 /nfs/dbraw/zinc/47/73/81/651477381.db2.gz ITSBHAXWFCKZJU-CYBMUJFWSA-N 1 0 387.914 2.120 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000643091484 651477749 /nfs/dbraw/zinc/47/77/49/651477749.db2.gz WSWDKMIINDGAIQ-SNPRPXQTSA-N 1 0 385.555 2.240 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000643096319 651477796 /nfs/dbraw/zinc/47/77/96/651477796.db2.gz ZGIMUMKOWLZXEW-HUUCEWRRSA-N 1 0 388.917 2.256 20 0 GEADRO CCOC(=O)c1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000603305853 651479072 /nfs/dbraw/zinc/47/90/72/651479072.db2.gz QJIISXOIWGRGAH-ZDUSSCGKSA-N 1 0 398.301 2.179 20 0 GEADRO CN(c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1)S(C)(=O)=O ZINC000643376453 651484789 /nfs/dbraw/zinc/48/47/89/651484789.db2.gz FOFNMYMCIRZHIQ-UHFFFAOYSA-N 1 0 380.539 2.298 20 0 GEADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(SC(F)(F)F)cc1 ZINC000726187348 651487689 /nfs/dbraw/zinc/48/76/89/651487689.db2.gz RPFOAINASJLQCG-NEPJUHHUSA-N 1 0 396.456 2.440 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)c1Br ZINC000643549925 651489993 /nfs/dbraw/zinc/48/99/93/651489993.db2.gz VSEHCQHNRBDLGP-UHFFFAOYSA-N 1 0 384.249 2.190 20 0 GEADRO O=C(c1ncc(I)s1)N1CCN(C2CCC2)CC1 ZINC000603437647 651493080 /nfs/dbraw/zinc/49/30/80/651493080.db2.gz QHOUXCDMCCOAIE-UHFFFAOYSA-N 1 0 377.251 2.058 20 0 GEADRO C[C@@H](NC(=O)c1ncc(I)s1)C1CC[NH+](C)CC1 ZINC000603438183 651493457 /nfs/dbraw/zinc/49/34/57/651493457.db2.gz ZXWJHSSCMFKPTR-MRVPVSSYSA-N 1 0 379.267 2.208 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000562574313 651497136 /nfs/dbraw/zinc/49/71/36/651497136.db2.gz HCTJBRNYPWRPCH-UHFFFAOYSA-N 1 0 394.313 2.170 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCOCC(C)C ZINC000726707622 651499783 /nfs/dbraw/zinc/49/97/83/651499783.db2.gz DYGKBZAAYNFHMQ-CQSZACIVSA-N 1 0 377.938 2.357 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@H]2CCCNC2=O)CC1 ZINC000562679881 651499797 /nfs/dbraw/zinc/49/97/97/651499797.db2.gz CQFGQMSSKWILKV-CYBMUJFWSA-N 1 0 395.301 2.021 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3cc(Br)cc4c3OCC4)C2)nn1 ZINC000562751423 651501473 /nfs/dbraw/zinc/50/14/73/651501473.db2.gz WPECZQPLSRQYOZ-INIZCTEOSA-N 1 0 392.301 2.271 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000603907689 651502688 /nfs/dbraw/zinc/50/26/88/651502688.db2.gz OLSVJNGJFHEOSH-LLVKDONJSA-N 1 0 378.270 2.314 20 0 GEADRO CO[C@H]1CCN(C(=O)c2cc(C)ccc2I)[C@@H](C[NH3+])C1 ZINC000562976856 651504648 /nfs/dbraw/zinc/50/46/48/651504648.db2.gz VXLDUMDESPPFDH-NEPJUHHUSA-N 1 0 388.249 2.178 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000562979948 651505317 /nfs/dbraw/zinc/50/53/17/651505317.db2.gz WZZKRWOEJUDUDV-ZIAGYGMSSA-N 1 0 385.555 2.170 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604204858 651510390 /nfs/dbraw/zinc/51/03/90/651510390.db2.gz AXXUQLGZNLNYIX-WCQYABFASA-N 1 0 388.295 2.269 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c(Cl)c1Cl ZINC000563130010 651510497 /nfs/dbraw/zinc/51/04/97/651510497.db2.gz MLPREANTBOETOX-VIFPVBQESA-N 1 0 375.224 2.278 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000563132313 651510603 /nfs/dbraw/zinc/51/06/03/651510603.db2.gz WPQGQGBBFKIICN-AWEZNQCLSA-N 1 0 389.905 2.103 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000563133007 651511249 /nfs/dbraw/zinc/51/12/49/651511249.db2.gz YPCVUJKAZJMLMN-RKDXNWHRSA-N 1 0 388.262 2.492 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000563132667 651511352 /nfs/dbraw/zinc/51/13/52/651511352.db2.gz NDZLRBZUFHCVPS-MNOVXSKESA-N 1 0 397.324 2.376 20 0 GEADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727109222 651513045 /nfs/dbraw/zinc/51/30/45/651513045.db2.gz MLEXBVGITZAERN-CYBMUJFWSA-N 1 0 390.285 2.340 20 0 GEADRO Cc1nnc([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)[nH]1 ZINC000563232817 651518473 /nfs/dbraw/zinc/51/84/73/651518473.db2.gz BBPAACWCDVGMMA-TZMCWYRMSA-N 1 0 381.274 2.105 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@@H](C[NH3+])C1 ZINC000644105980 651520881 /nfs/dbraw/zinc/52/08/81/651520881.db2.gz MZPVPIHZLBIJEB-HZPDHXFCSA-N 1 0 393.285 2.213 20 0 GEADRO COc1cc(C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc(Br)c1OC ZINC000644106301 651521511 /nfs/dbraw/zinc/52/15/11/651521511.db2.gz RMRYMPXNPINGQA-VXGBXAGGSA-N 1 0 387.274 2.045 20 0 GEADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1C[NH2+]CCC1(F)F ZINC000644150814 651523552 /nfs/dbraw/zinc/52/35/52/651523552.db2.gz CRLXYULTQIZXPN-KWQFWETISA-N 1 0 379.176 2.383 20 0 GEADRO Cc1cc(Br)cn2c(CNC3(CCO)CC[NH+](C)CC3)cnc12 ZINC000563415154 651523592 /nfs/dbraw/zinc/52/35/92/651523592.db2.gz BXRGKGMYYLWEMF-UHFFFAOYSA-N 1 0 381.318 2.342 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@]23CCC(=O)N2CCS3)cc1Cl ZINC000604874313 651524468 /nfs/dbraw/zinc/52/44/68/651524468.db2.gz FGXZASZCFCHDCT-KRWDZBQOSA-N 1 0 383.901 2.284 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000563478522 651526508 /nfs/dbraw/zinc/52/65/08/651526508.db2.gz BAIJJZHLVISBLJ-JTQLQIEISA-N 1 0 375.803 2.120 20 0 GEADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CC2(Cl)Cl)c1 ZINC000727745333 651528441 /nfs/dbraw/zinc/52/84/41/651528441.db2.gz YMGNAWMWKKCISS-HNNXBMFYSA-N 1 0 375.296 2.454 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000563562966 651532450 /nfs/dbraw/zinc/53/24/50/651532450.db2.gz BWMYPQTUQOIQHY-DGCLKSJQSA-N 1 0 398.301 2.217 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cnn1-c1ccc(Cl)cc1 ZINC000644299708 651532641 /nfs/dbraw/zinc/53/26/41/651532641.db2.gz ARSFSRMIIFWLNW-CZUORRHYSA-N 1 0 380.901 2.159 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644298508 651532777 /nfs/dbraw/zinc/53/27/77/651532777.db2.gz GEQHMPRVEXFXSX-ZWNOBZJWSA-N 1 0 377.279 2.221 20 0 GEADRO CN1CCN(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)[C@@H](C[NH3+])C1 ZINC000563584238 651534096 /nfs/dbraw/zinc/53/40/96/651534096.db2.gz MOAHMIZKIXNTMD-HOTGVXAUSA-N 1 0 399.308 2.324 20 0 GEADRO C[C@@H]1CN(CC[NH2+]Cc2ccc(F)cc2I)CCO1 ZINC000563585411 651534118 /nfs/dbraw/zinc/53/41/18/651534118.db2.gz CZDGTVUKAIAYPK-LLVKDONJSA-N 1 0 378.229 2.241 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)cc4cccnc43)[C@H]2C1 ZINC000644302147 651534130 /nfs/dbraw/zinc/53/41/30/651534130.db2.gz RLFPMJYQQCQIPX-OCCSQVGLSA-N 1 0 396.310 2.322 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(Br)c3)[C@@H]2C1 ZINC000644303779 651534169 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Cc1cc(Br)ccc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000646180764 651680641 /nfs/dbraw/zinc/68/06/41/651680641.db2.gz ALMGPUPCKRATJP-LBPRGKRZSA-N 1 0 383.290 2.341 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000646188863 651681450 /nfs/dbraw/zinc/68/14/50/651681450.db2.gz TWPDDZXJOCELBK-OLZOCXBDSA-N 1 0 399.333 2.223 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cc(Cl)ccc2Br)CCO1 ZINC000646210511 651681856 /nfs/dbraw/zinc/68/18/56/651681856.db2.gz QARJOEZDRFXMRM-TVQRCGJNSA-N 1 0 376.682 2.360 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N[C@H](CO)C[NH+]2CCCC2)c(Br)c1 ZINC000646224156 651682601 /nfs/dbraw/zinc/68/26/01/651682601.db2.gz POGQDEXLDLRHRQ-KGLIPLIRSA-N 1 0 385.302 2.098 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)c3cnn4cc(Br)cnc34)C2)CC1 ZINC000646245679 651683330 /nfs/dbraw/zinc/68/33/30/651683330.db2.gz FEGKGLVNXBQTBO-UHFFFAOYSA-N 1 0 378.274 2.050 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)CNC(=O)c3ccc(Br)cc3)C2)CC1 ZINC000646249538 651683500 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2.012 20 0 GEADRO Cc1sc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1CS(C)(=O)=O ZINC000646356360 651691952 /nfs/dbraw/zinc/69/19/52/651691952.db2.gz OCHUOODNFHLJHQ-JTQLQIEISA-N 1 0 385.536 2.126 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000568972568 651692913 /nfs/dbraw/zinc/69/29/13/651692913.db2.gz DAKPVCDNDXOEJR-UHFFFAOYSA-N 1 0 384.249 2.129 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000569053132 651696451 /nfs/dbraw/zinc/69/64/51/651696451.db2.gz KVTKBFZFSQRPHW-GFCCVEGCSA-N 1 0 383.436 2.421 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000646447210 651696523 /nfs/dbraw/zinc/69/65/23/651696523.db2.gz RMDIBAFRCLFLML-CABCVRRESA-N 1 0 393.285 2.261 20 0 GEADRO O[C@@H](C[NH2+]CC1(N2CCOCC2)CC1)COc1cc(Cl)ccc1Cl ZINC000569095485 651700533 /nfs/dbraw/zinc/70/05/33/651700533.db2.gz ANEBAWOIJNLSNN-AWEZNQCLSA-N 1 0 375.296 2.188 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)c1ccccc1Cl ZINC000646572665 651703169 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GEADRO COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)[C@H](C)[NH+](C)C ZINC000611158312 651711966 /nfs/dbraw/zinc/71/19/66/651711966.db2.gz MJOYGXLHINAMBU-IINYFYTJSA-N 1 0 396.285 2.081 20 0 GEADRO C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)Cn1cccn1 ZINC000569448431 651714327 /nfs/dbraw/zinc/71/43/27/651714327.db2.gz AFDCOGYZGFZEHI-CYBMUJFWSA-N 1 0 386.315 2.345 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1F)[C@H]1CC[N@H+](C)C1 ZINC000646767951 651718289 /nfs/dbraw/zinc/71/82/89/651718289.db2.gz AFWKKQYWZSHEFJ-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)C[C@H](C)[NH2+]1 ZINC000569595156 651719569 /nfs/dbraw/zinc/71/95/69/651719569.db2.gz MTGLVIMCYTXPBN-OCAPTIKFSA-N 1 0 377.080 2.429 20 0 GEADRO O=C(NC[C@@H]1CCCS1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000569601060 651720145 /nfs/dbraw/zinc/72/01/45/651720145.db2.gz KWROAOIZHFJRKN-CABCVRRESA-N 1 0 381.567 2.088 20 0 GEADRO Cc1c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000646846805 651724263 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GEADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000569909930 651732866 /nfs/dbraw/zinc/73/28/66/651732866.db2.gz IFBDJRKLONILBL-SNVBAGLBSA-N 1 0 392.681 2.149 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2c(C(F)(F)F)nc3n2CCCC3)CCSC1 ZINC000611928441 651737288 /nfs/dbraw/zinc/73/72/88/651737288.db2.gz IBGJBLKJRFWDIN-OAHLLOKOSA-N 1 0 376.448 2.405 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1Cl ZINC000647228218 651737866 /nfs/dbraw/zinc/73/78/66/651737866.db2.gz MMOFWKFIYNBCEU-UHFFFAOYSA-N 1 0 397.722 2.484 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000647228108 651737885 /nfs/dbraw/zinc/73/78/85/651737885.db2.gz ICLBSZOWYUIEKU-UHFFFAOYSA-N 1 0 376.906 2.128 20 0 GEADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647230498 651737903 /nfs/dbraw/zinc/73/79/03/651737903.db2.gz SVRCJAKPZOWXLX-LLVKDONJSA-N 1 0 386.315 2.313 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000611948226 651738347 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GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)ccc1Cl ZINC000734243317 651740223 /nfs/dbraw/zinc/74/02/23/651740223.db2.gz HJWZEQNSEQWPOX-AWEZNQCLSA-N 1 0 376.881 2.401 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1Cl ZINC000647278598 651741192 /nfs/dbraw/zinc/74/11/92/651741192.db2.gz MVYVHASDQMHSDQ-JTQLQIEISA-N 1 0 383.297 2.049 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647287240 651741519 /nfs/dbraw/zinc/74/15/19/651741519.db2.gz VDTNVHKJQHHJSX-YGRLFVJLSA-N 1 0 386.315 2.217 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)s1 ZINC000647298030 651742803 /nfs/dbraw/zinc/74/28/03/651742803.db2.gz LPKTWURNKDVQRE-ZDUSSCGKSA-N 1 0 387.571 2.475 20 0 GEADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)NCc1cccs1 ZINC000647334238 651744616 /nfs/dbraw/zinc/74/46/16/651744616.db2.gz ITCBEMXOPKCCDM-BLLLJJGKSA-N 1 0 381.523 2.141 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)/C=C\c3ccc(Br)o3)CC2)C1 ZINC000734454637 651745735 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CN(CCN1CC[NH2+]CC1)C(=O)CCSc1ccc(Br)cc1 ZINC000647775942 651758406 /nfs/dbraw/zinc/75/84/06/651758406.db2.gz ISHPPEBSWYKUSK-UHFFFAOYSA-N 1 0 386.359 2.295 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000570289845 651758724 /nfs/dbraw/zinc/75/87/24/651758724.db2.gz TUCUNEGYPRNRTO-INIZCTEOSA-N 1 0 376.328 2.244 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000647823232 651761343 /nfs/dbraw/zinc/76/13/43/651761343.db2.gz FWWXPNADXGREPE-JKSUJKDBSA-N 1 0 385.277 2.452 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000647833511 651761902 /nfs/dbraw/zinc/76/19/02/651761902.db2.gz OMKFFULEAZJMPD-BXUZGUMPSA-N 1 0 383.286 2.314 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000647834195 651761938 /nfs/dbraw/zinc/76/19/38/651761938.db2.gz YBALFSDTMNHNCG-KCXAZCMYSA-N 1 0 381.929 2.406 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)C(C)(C)c3cccc(Br)c3)C2)CC1 ZINC000647825445 651761943 /nfs/dbraw/zinc/76/19/43/651761943.db2.gz WRZPMBALNDXXRW-UHFFFAOYSA-N 1 0 394.357 2.433 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000612659563 651764143 /nfs/dbraw/zinc/76/41/43/651764143.db2.gz WNBFYAHTTNAHDW-OAHLLOKOSA-N 1 0 387.293 2.484 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CCO1 ZINC000647877642 651764397 /nfs/dbraw/zinc/76/43/97/651764397.db2.gz YIYIGHYKZNMPKD-XJKSGUPXSA-N 1 0 397.313 2.072 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000612679943 651765330 /nfs/dbraw/zinc/76/53/30/651765330.db2.gz UBLMVDKNWYKIEH-OAHLLOKOSA-N 1 0 399.329 2.305 20 0 GEADRO CC[C@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000647936973 651767233 /nfs/dbraw/zinc/76/72/33/651767233.db2.gz ONNDHUCAEYLETB-WFASDCNBSA-N 1 0 375.332 2.282 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccncc1I ZINC000612755374 651769022 /nfs/dbraw/zinc/76/90/22/651769022.db2.gz XZWIIBRTEGAQCK-NSHDSACASA-N 1 0 388.253 2.104 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)n2)s1 ZINC000648009879 651769968 /nfs/dbraw/zinc/76/99/68/651769968.db2.gz WLSISDXUXUTVTN-UHFFFAOYSA-N 1 0 381.527 2.326 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[NH2+]CCC1(F)F ZINC000648021218 651770511 /nfs/dbraw/zinc/77/05/11/651770511.db2.gz BYRWANZUOCUWKT-ZJUUUORDSA-N 1 0 383.222 2.094 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1ccc(F)c(Br)c1 ZINC000648041531 651771093 /nfs/dbraw/zinc/77/10/93/651771093.db2.gz VTRISQQBPRRTNE-ZIAGYGMSSA-N 1 0 397.292 2.267 20 0 GEADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000648048490 651771548 /nfs/dbraw/zinc/77/15/48/651771548.db2.gz JIRWGZBGQYSHQP-XBXGTLAGSA-N 1 0 380.286 2.364 20 0 GEADRO COc1cc(Br)c(CN2CCOC3(CC[NH+](C)CC3)C2)cc1O ZINC000648072237 651773414 /nfs/dbraw/zinc/77/34/14/651773414.db2.gz SMJPUZZFSILGBU-UHFFFAOYSA-N 1 0 385.302 2.460 20 0 GEADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648090479 651773886 /nfs/dbraw/zinc/77/38/86/651773886.db2.gz VGBZYEJZYTVZMD-ZSHCYNCHSA-N 1 0 375.270 2.292 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CS(=O)(=O)CC(C)C)C2)s1 ZINC000570544112 651773811 /nfs/dbraw/zinc/77/38/11/651773811.db2.gz OXCHGVDBMBKOHT-MRXNPFEDSA-N 1 0 386.583 2.408 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612874353 651774603 /nfs/dbraw/zinc/77/46/03/651774603.db2.gz DJZXVYWSXBFLTK-INIZCTEOSA-N 1 0 383.290 2.137 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C2=O)ccc1Br ZINC000648163979 651775052 /nfs/dbraw/zinc/77/50/52/651775052.db2.gz NRMBFPZFDKGLQI-CQSZACIVSA-N 1 0 382.302 2.497 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)C3([NH3+])CCCC3)C2=O)ccc1Br ZINC000648163948 651775147 /nfs/dbraw/zinc/77/51/47/651775147.db2.gz LFGWVMDYDHBSPE-CQSZACIVSA-N 1 0 380.286 2.251 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)N[C@H]1CC12CC[NH2+]CC2 ZINC000612965982 651776915 /nfs/dbraw/zinc/77/69/15/651776915.db2.gz KVSQEOFBKJXZKG-RISCZKNCSA-N 1 0 388.295 2.174 20 0 GEADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613227003 651777273 /nfs/dbraw/zinc/77/72/73/651777273.db2.gz PJWDXPRNQDGYFQ-RKLWJJNISA-N 1 0 382.302 2.473 20 0 GEADRO C[C@H](CC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)n1cc(Br)cn1 ZINC000648332056 651779540 /nfs/dbraw/zinc/77/95/40/651779540.db2.gz CCNNNRFOTYITFU-SYAUCNOPSA-N 1 0 399.333 2.307 20 0 GEADRO C[C@H](CC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)n1cc(Br)cn1 ZINC000648332053 651779644 /nfs/dbraw/zinc/77/96/44/651779644.db2.gz CCNNNRFOTYITFU-DMRZNYOFSA-N 1 0 399.333 2.307 20 0 GEADRO CC(C)[N@@H+]1CCCC[C@H]1CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C ZINC000570645244 651780781 /nfs/dbraw/zinc/78/07/81/651780781.db2.gz DXQNPCREPAJZRM-GJZGRUSLSA-N 1 0 386.587 2.147 20 0 GEADRO COc1ccc(CCC(=O)NC2(CCO)CC[NH+](C)CC2)c(Br)c1 ZINC000613301341 651781427 /nfs/dbraw/zinc/78/14/27/651781427.db2.gz SAFSJSDJAYOFIM-UHFFFAOYSA-N 1 0 399.329 2.353 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000570667677 651782271 /nfs/dbraw/zinc/78/22/71/651782271.db2.gz SCUQCIVBPYMUMJ-ZYHUDNBSSA-N 1 0 391.693 2.365 20 0 GEADRO CC[N@@H+]1CCN(Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C[C@@H]1C ZINC000648371311 651784264 /nfs/dbraw/zinc/78/42/64/651784264.db2.gz JJOVJRKKNMPMIM-KBPBESRZSA-N 1 0 398.345 2.488 20 0 GEADRO C[C@H](NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C1=CC[N@H+](C)CC1 ZINC000613376729 651784688 /nfs/dbraw/zinc/78/46/88/651784688.db2.gz VBVVYUDAXFIVQE-VIFPVBQESA-N 1 0 379.258 2.411 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CCCO1 ZINC000570709454 651785578 /nfs/dbraw/zinc/78/55/78/651785578.db2.gz MFMCBBUDFUCSJU-LBPRGKRZSA-N 1 0 378.885 2.471 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)cc2s1 ZINC000735590263 651787473 /nfs/dbraw/zinc/78/74/73/651787473.db2.gz CFWHOOFJSYGBSH-CYBMUJFWSA-N 1 0 378.523 2.413 20 0 GEADRO C[C@]([NH3+])(C(=O)Nc1cc([C@H]2CCCO2)[nH]n1)c1ccc(Br)cc1 ZINC000570799001 651792444 /nfs/dbraw/zinc/79/24/44/651792444.db2.gz AFIDFKGCXPCFQM-CZUORRHYSA-N 1 0 379.258 2.836 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000570801240 651792519 /nfs/dbraw/zinc/79/25/19/651792519.db2.gz GNGZXLNFWQOIDB-LLVKDONJSA-N 1 0 375.224 2.278 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000570904476 651798940 /nfs/dbraw/zinc/79/89/40/651798940.db2.gz ZUFNOXJEFRVKCH-LLVKDONJSA-N 1 0 396.285 2.242 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000570919207 651800253 /nfs/dbraw/zinc/80/02/53/651800253.db2.gz KADBXFGFVUAAAX-UHFFFAOYSA-N 1 0 397.298 2.173 20 0 GEADRO CN(C(=O)NCCSCC(F)(F)F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000613862850 651800617 /nfs/dbraw/zinc/80/06/17/651800617.db2.gz ZJSKRRODLMTIQO-CQSZACIVSA-N 1 0 382.496 2.092 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1c(F)ccc(Br)c1OC ZINC000648770923 651801096 /nfs/dbraw/zinc/80/10/96/651801096.db2.gz OVQCQXGEFDVDHY-UHFFFAOYSA-N 1 0 377.254 2.247 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1)COc1ccc(Br)cc1 ZINC000570955860 651802056 /nfs/dbraw/zinc/80/20/56/651802056.db2.gz JFVFTDVEQXNEQC-UXLLHSPISA-N 1 0 386.286 2.117 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000735924494 651802532 /nfs/dbraw/zinc/80/25/32/651802532.db2.gz WMFIPWFYFVHPRO-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO COC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(Br)s1)C(C)C ZINC000570975071 651803271 /nfs/dbraw/zinc/80/32/71/651803271.db2.gz GJQNBOKURYADQQ-RNCFNFMXSA-N 1 0 377.304 2.475 20 0 GEADRO C[N@H+](C[C@@H](O)CNCc1ccc(I)c(Cl)c1)C1CC1 ZINC000571040499 651807511 /nfs/dbraw/zinc/80/75/11/651807511.db2.gz FQJYCBMCLHJLCD-LBPRGKRZSA-N 1 0 394.684 2.489 20 0 GEADRO Cc1cccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1I ZINC000571047150 651808032 /nfs/dbraw/zinc/80/80/32/651808032.db2.gz WEQYQKIAKAEWOT-SNVBAGLBSA-N 1 0 380.176 2.327 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C1 ZINC000614066374 651811435 /nfs/dbraw/zinc/81/14/35/651811435.db2.gz DDCPPIUWTSODDD-GOSISDBHSA-N 1 0 394.313 2.388 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CCc3cc(Br)ccc32)C1 ZINC000614071873 651811799 /nfs/dbraw/zinc/81/17/99/651811799.db2.gz WCPWBIAYWFEMSA-FUHWJXTLSA-N 1 0 381.314 2.394 20 0 GEADRO Cc1ccc(F)c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1Br ZINC000649070404 651813771 /nfs/dbraw/zinc/81/37/71/651813771.db2.gz NXMQDSDNOGXXMR-NSHDSACASA-N 1 0 386.265 2.089 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(c2cccc(Br)c2)CC1 ZINC000649078691 651815512 /nfs/dbraw/zinc/81/55/12/651815512.db2.gz ODIFEJNFTWLGGX-ZDUSSCGKSA-N 1 0 394.313 2.059 20 0 GEADRO O=C(NCC12CCC[NH+]1CCC2)c1cc(Cn2cc(Br)cn2)on1 ZINC000614225876 651817898 /nfs/dbraw/zinc/81/78/98/651817898.db2.gz HNBSWTREEATITC-UHFFFAOYSA-N 1 0 394.273 2.040 20 0 GEADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000649279780 651821969 /nfs/dbraw/zinc/82/19/69/651821969.db2.gz VSCIWGDOWZAEBP-ZDUSSCGKSA-N 1 0 375.822 2.368 20 0 GEADRO Cc1cc(C(=O)N(C)CCN2CC[NH2+]CC2)c2cc(Br)ccc2n1 ZINC000649271368 651822194 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20 0 GEADRO CC[N@H+](CCCNS(=O)(=O)C[C@H](OC)[C@H]1CCOC1)C1CCCCC1 ZINC000657021235 652089372 /nfs/dbraw/zinc/08/93/72/652089372.db2.gz QHUCNLVFMHYCRC-WMZOPIPTSA-N 1 0 376.563 2.002 20 0 GEADRO O=C(C1CC1)N1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000576011827 652090615 /nfs/dbraw/zinc/09/06/15/652090615.db2.gz XHSHEIRJWNQYHR-MRXNPFEDSA-N 1 0 397.313 2.179 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000576031604 652091873 /nfs/dbraw/zinc/09/18/73/652091873.db2.gz GIHXUGQKPSQDOL-HNNXBMFYSA-N 1 0 387.933 2.097 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000657071308 652102727 /nfs/dbraw/zinc/10/27/27/652102727.db2.gz JJPBYUKJUCMYGI-ZDUSSCGKSA-N 1 0 379.929 2.171 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000576345149 652108565 /nfs/dbraw/zinc/10/85/65/652108565.db2.gz FRYSMQAFALWWPI-ZFWWWQNUSA-N 1 0 396.329 2.463 20 0 GEADRO O=C(CCN1CC[NH+](CCCCO)CC1)Nc1ccc(Br)cc1 ZINC000746488969 652110730 /nfs/dbraw/zinc/11/07/30/652110730.db2.gz RVFYHSVSKBUEJZ-UHFFFAOYSA-N 1 0 384.318 2.168 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000657092292 652112062 /nfs/dbraw/zinc/11/20/62/652112062.db2.gz SGRUVQGAVIXACJ-CHWSQXEVSA-N 1 0 378.922 2.372 20 0 GEADRO C[NH+](C)C[C@@H](CNS(=O)(=O)c1cnc2n1CCC2)c1ccc(Cl)cc1 ZINC000576471049 652120239 /nfs/dbraw/zinc/12/02/39/652120239.db2.gz WXAWGGPULHKRSJ-CQSZACIVSA-N 1 0 382.917 2.106 20 0 GEADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1cc(Br)cc2c1OCC2 ZINC000576518423 652124385 /nfs/dbraw/zinc/12/43/85/652124385.db2.gz VEWLDHFBFBFHGG-ZDUSSCGKSA-N 1 0 389.315 2.195 20 0 GEADRO Cc1cc(CC(C)(C)C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1Br ZINC000576531401 652125154 /nfs/dbraw/zinc/12/51/54/652125154.db2.gz ZSBPCAKTCREDAO-HOTGVXAUSA-N 1 0 383.330 2.460 20 0 GEADRO CC[C@@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C[C@H](C)[NH2+]1 ZINC000620904275 652126265 /nfs/dbraw/zinc/12/62/65/652126265.db2.gz JSPVHLPTHFFHHE-WDEREUQCSA-N 1 0 388.331 2.182 20 0 GEADRO CC[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000620907698 652126595 /nfs/dbraw/zinc/12/65/95/652126595.db2.gz WYHXRGWTRYNKNZ-SWLSCSKDSA-N 1 0 382.302 2.168 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C[C@H](C)[NH2+]1 ZINC000620899445 652126621 /nfs/dbraw/zinc/12/66/21/652126621.db2.gz HKLNIKPBJLKSDN-CMPLNLGQSA-N 1 0 389.315 2.065 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)[C@H]1Sc1ccccc1 ZINC000576562788 652127402 /nfs/dbraw/zinc/12/74/02/652127402.db2.gz LACXQCSCPVALEB-BZZMCLGOSA-N 1 0 384.567 2.338 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC000621064813 652129833 /nfs/dbraw/zinc/12/98/33/652129833.db2.gz MKPJJSOKSMGJTF-UHFFFAOYSA-N 1 0 386.309 2.227 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC[NH2+]1 ZINC000621150650 652132411 /nfs/dbraw/zinc/13/24/11/652132411.db2.gz JRWXIQYUVWKIIR-HNNXBMFYSA-N 1 0 379.917 2.469 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)([NH+](C)C)C1 ZINC000576647313 652134272 /nfs/dbraw/zinc/13/42/72/652134272.db2.gz PUQXINGYGPPPIN-SJKOYZFVSA-N 1 0 387.933 2.228 20 0 GEADRO CC1(C)C[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]2COC[C@@H]21 ZINC000576670130 652135606 /nfs/dbraw/zinc/13/56/06/652135606.db2.gz ZTDMDWCPTSQACL-UONOGXRCSA-N 1 0 378.270 2.314 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)nc12 ZINC000576687504 652137528 /nfs/dbraw/zinc/13/75/28/652137528.db2.gz KMFQGRIMGUKYSN-OAHLLOKOSA-N 1 0 392.301 2.441 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)c[nH]c1=O)Cc1ccccc1 ZINC000621261648 652139209 /nfs/dbraw/zinc/13/92/09/652139209.db2.gz YISXLRYXSKVJOO-AWEZNQCLSA-N 1 0 378.270 2.452 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC000576765239 652143343 /nfs/dbraw/zinc/14/33/43/652143343.db2.gz MAUQQSWQXFZNEL-HNNXBMFYSA-N 1 0 383.330 2.448 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)s1 ZINC000657180366 652143652 /nfs/dbraw/zinc/14/36/52/652143652.db2.gz BYXHOISOUKBRRN-UONOGXRCSA-N 1 0 387.571 2.344 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[NH2+]CC1 ZINC000621470907 652156991 /nfs/dbraw/zinc/15/69/91/652156991.db2.gz GQJLEZDYGGELGJ-HNNXBMFYSA-N 1 0 382.302 2.025 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NC[C@H]([NH3+])CC ZINC000576989245 652160586 /nfs/dbraw/zinc/16/05/86/652160586.db2.gz OHNHZZAYHFGSKS-CABCVRRESA-N 1 0 399.333 2.271 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000576989502 652160822 /nfs/dbraw/zinc/16/08/22/652160822.db2.gz IAWRYBDFUBCVGI-QWHCGFSZSA-N 1 0 388.917 2.367 20 0 GEADRO CCCNC(=O)CN1CCC([NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657309119 652161137 /nfs/dbraw/zinc/16/11/37/652161137.db2.gz JGNCFJGHBTZFSB-UHFFFAOYSA-N 1 0 387.297 2.063 20 0 GEADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(Cc2ccc(Cl)s2)CC1 ZINC000576994077 652161375 /nfs/dbraw/zinc/16/13/75/652161375.db2.gz IXLIUNYFPCORIH-ROUUACIJSA-N 1 0 379.957 2.450 20 0 GEADRO O=C(CSc1n[n-]c(=S)s1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000747413105 652163236 /nfs/dbraw/zinc/16/32/36/652163236.db2.gz JAIDKWVJOQDSGI-UHFFFAOYSA-N 1 0 388.584 2.022 20 0 GEADRO O=C(c1cscc1C(F)(F)F)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000621620858 652164896 /nfs/dbraw/zinc/16/48/96/652164896.db2.gz KGHKVOALJWMKQK-LLVKDONJSA-N 1 0 375.416 2.051 20 0 GEADRO CC[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cc(C)ccc2Br)CO1 ZINC000657465652 652165916 /nfs/dbraw/zinc/16/59/16/652165916.db2.gz DIVLSINXKSGTDU-CHWSQXEVSA-N 1 0 391.331 2.193 20 0 GEADRO O=C(CC[C@H]1CCC[NH2+]C1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000621630499 652165940 /nfs/dbraw/zinc/16/59/40/652165940.db2.gz FLTAAPOKQCKKOY-CQSZACIVSA-N 1 0 396.329 2.465 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000577157582 652166203 /nfs/dbraw/zinc/16/62/03/652166203.db2.gz OSGBHNVNCPRNLJ-FRRDWIJNSA-N 1 0 380.286 2.140 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000657487425 652166454 /nfs/dbraw/zinc/16/64/54/652166454.db2.gz BFYWHKLGVVWJCO-UHFFFAOYSA-N 1 0 384.318 2.124 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577178087 652168484 /nfs/dbraw/zinc/16/84/84/652168484.db2.gz FQHPCXIJYUHCQY-JKSUJKDBSA-N 1 0 391.339 2.416 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657528003 652169781 /nfs/dbraw/zinc/16/97/81/652169781.db2.gz KWPMMPPNJHPVJS-LLVKDONJSA-N 1 0 398.276 2.436 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(Br)c[nH]c1=O ZINC000621922147 652170136 /nfs/dbraw/zinc/17/01/36/652170136.db2.gz OPUYTHPJXNFLIX-UHFFFAOYSA-N 1 0 379.258 2.149 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000657546773 652172039 /nfs/dbraw/zinc/17/20/39/652172039.db2.gz BVHSOPNYFHOYDI-UHFFFAOYSA-N 1 0 386.315 2.401 20 0 GEADRO COc1cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc(OC)c1 ZINC000657561626 652173301 /nfs/dbraw/zinc/17/33/01/652173301.db2.gz CBBGJTPLSBFHGX-UHFFFAOYSA-N 1 0 394.269 2.381 20 0 GEADRO O=C(NCC[NH2+]Cc1cnc(C2CC2)nc1)c1ccc(Br)cn1 ZINC000657564400 652174141 /nfs/dbraw/zinc/17/41/41/652174141.db2.gz SDKWPNBGMOGGEL-UHFFFAOYSA-N 1 0 376.258 2.031 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622012693 652174434 /nfs/dbraw/zinc/17/44/34/652174434.db2.gz FKSSDYTUAKWLHX-XHDPSFHLSA-N 1 0 389.315 2.268 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622014638 652174880 /nfs/dbraw/zinc/17/48/80/652174880.db2.gz IVNKLVLARXBLPE-CXAGYDPISA-N 1 0 388.917 2.257 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622013750 652175258 /nfs/dbraw/zinc/17/52/58/652175258.db2.gz UZNWYLVVGOXQFP-NHYWBVRUSA-N 1 0 389.315 2.350 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC12CCOCC2 ZINC000577280032 652176222 /nfs/dbraw/zinc/17/62/22/652176222.db2.gz YPWYBZVSBOAZDJ-LBPRGKRZSA-N 1 0 378.416 2.081 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000657597068 652177490 /nfs/dbraw/zinc/17/74/90/652177490.db2.gz KJEOFQAZYPTOQE-OAHLLOKOSA-N 1 0 376.316 2.429 20 0 GEADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC)s2)o1 ZINC000622036947 652178449 /nfs/dbraw/zinc/17/84/49/652178449.db2.gz JEZKTELADADCRI-UHFFFAOYSA-N 1 0 385.511 2.021 20 0 GEADRO OCCO[C@]1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCOC1 ZINC000657597493 652178355 /nfs/dbraw/zinc/17/83/55/652178355.db2.gz QJQDDNNITLQFJE-HNNXBMFYSA-N 1 0 396.228 2.308 20 0 GEADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000657620085 652180190 /nfs/dbraw/zinc/18/01/90/652180190.db2.gz CSDWRGCYIPOAJX-LLVKDONJSA-N 1 0 384.249 2.223 20 0 GEADRO CCS(=O)(=O)CCC[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000577366236 652181988 /nfs/dbraw/zinc/18/19/88/652181988.db2.gz PRUCJAIPRIDYDV-UHFFFAOYSA-N 1 0 375.556 2.172 20 0 GEADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CS1(=O)=O ZINC000657634642 652182397 /nfs/dbraw/zinc/18/23/97/652182397.db2.gz JXVZWBQHRDMENQ-GXSJLCMTSA-N 1 0 376.272 2.233 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000657641159 652184346 /nfs/dbraw/zinc/18/43/46/652184346.db2.gz BPPCNLFNDWZNLB-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO C[NH2+]CCSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000577391859 652184853 /nfs/dbraw/zinc/18/48/53/652184853.db2.gz WYFQOPTWBYNNLU-UHFFFAOYSA-N 1 0 385.555 2.142 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000577409092 652186581 /nfs/dbraw/zinc/18/65/81/652186581.db2.gz PJDPFBJLSKJEFN-BIMULSAOSA-N 1 0 388.249 2.367 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc3c(cc2Br)OCO3)CCO1 ZINC000622185804 652189456 /nfs/dbraw/zinc/18/94/56/652189456.db2.gz QCRVXTQRRJZMNS-LBPRGKRZSA-N 1 0 399.285 2.361 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NC(=O)COc1cccc(I)c1 ZINC000577483347 652191738 /nfs/dbraw/zinc/19/17/38/652191738.db2.gz DLCLBKFFFYKJJK-AWEZNQCLSA-N 1 0 376.238 2.160 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000622597203 652196478 /nfs/dbraw/zinc/19/64/78/652196478.db2.gz PPCFQSGUMPMREG-HIFRSBDPSA-N 1 0 385.555 2.194 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNc2ncnc3cccc(I)c32)C1 ZINC000577568765 652197324 /nfs/dbraw/zinc/19/73/24/652197324.db2.gz NCFWLMRNSCMPTP-NSHDSACASA-N 1 0 382.249 2.988 20 0 GEADRO COc1ncc(C(=O)N2C[C@@H]([NH3+])CC[C@H]2C(F)(F)F)cc1Br ZINC000622762157 652198535 /nfs/dbraw/zinc/19/85/35/652198535.db2.gz SLZFNWPFHFSXDC-WPRPVWTQSA-N 1 0 382.180 2.347 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000577609915 652201511 /nfs/dbraw/zinc/20/15/11/652201511.db2.gz SLXHTBPSJINPRA-NWDGAFQWSA-N 1 0 389.905 2.103 20 0 GEADRO COCCCS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000577677308 652206178 /nfs/dbraw/zinc/20/61/78/652206178.db2.gz HTEMSFOJCLFCMB-LLVKDONJSA-N 1 0 397.310 2.195 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=S)NCC[NH+](C)C ZINC000748598177 652207713 /nfs/dbraw/zinc/20/77/13/652207713.db2.gz WRTNGGXDBCLTBH-UHFFFAOYSA-N 1 0 387.347 2.112 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657854671 652211488 /nfs/dbraw/zinc/21/14/88/652211488.db2.gz DMCKOAVMCRNRJO-GXFFZTMASA-N 1 0 386.265 2.325 20 0 GEADRO CC(C)C[C@H](CNC(=O)c1ccc(Br)cc1-n1cnnn1)[NH+](C)C ZINC000623018336 652215157 /nfs/dbraw/zinc/21/51/57/652215157.db2.gz DRWMELBAEDVSRU-CYBMUJFWSA-N 1 0 395.305 2.131 20 0 GEADRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657927197 652217059 /nfs/dbraw/zinc/21/70/59/652217059.db2.gz KJARMHXDKGHEGA-ZDUSSCGKSA-N 1 0 380.290 2.056 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623028372 652217652 /nfs/dbraw/zinc/21/76/52/652217652.db2.gz ILHFWSPLUTXGSH-GFCCVEGCSA-N 1 0 395.305 2.275 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623027346 652217690 /nfs/dbraw/zinc/21/76/90/652217690.db2.gz HHLFPTSYAAJYOA-GFCCVEGCSA-N 1 0 395.305 2.275 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623027347 652217893 /nfs/dbraw/zinc/21/78/93/652217893.db2.gz HHLFPTSYAAJYOA-LBPRGKRZSA-N 1 0 395.305 2.275 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cncc(Br)c1 ZINC000657950987 652220262 /nfs/dbraw/zinc/22/02/62/652220262.db2.gz PWAKRSVNGGTNNP-KANYHAFZSA-N 1 0 381.274 2.215 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000623072359 652222494 /nfs/dbraw/zinc/22/24/94/652222494.db2.gz ZEGZNOQNOONUDH-HIFRSBDPSA-N 1 0 395.301 2.085 20 0 GEADRO O=C(C(=O)N1CCc2sc(Cl)cc2C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000577870789 652224938 /nfs/dbraw/zinc/22/49/38/652224938.db2.gz RUEZGOTUGOKIOF-UHFFFAOYSA-N 1 0 381.929 2.277 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc2)C1 ZINC000577910723 652228525 /nfs/dbraw/zinc/22/85/25/652228525.db2.gz SNAZOIJDLMIIGU-IUODEOHRSA-N 1 0 380.432 2.120 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCc3ccc(F)c(Br)c3C2)C1 ZINC000623238786 652228780 /nfs/dbraw/zinc/22/87/80/652228780.db2.gz SSNNYMQBWBINST-LBPRGKRZSA-N 1 0 384.293 2.144 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000658003219 652228855 /nfs/dbraw/zinc/22/88/55/652228855.db2.gz XLGXFMYHAMTRBN-NSHDSACASA-N 1 0 386.265 2.468 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000658007529 652228879 /nfs/dbraw/zinc/22/88/79/652228879.db2.gz VQARQTMTCLWMOZ-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577951096 652231449 /nfs/dbraw/zinc/23/14/49/652231449.db2.gz XFRRKDBHIQFOEP-OBJOEFQTSA-N 1 0 382.291 2.414 20 0 GEADRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000658026135 652232184 /nfs/dbraw/zinc/23/21/84/652232184.db2.gz AOUQWUPOWDWRPC-YGRLFVJLSA-N 1 0 385.835 2.429 20 0 GEADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000658029110 652232805 /nfs/dbraw/zinc/23/28/05/652232805.db2.gz ZMBJVMVNMJTPSW-JKSUJKDBSA-N 1 0 390.343 2.155 20 0 GEADRO COC[C@H](CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)OC ZINC000658084414 652235606 /nfs/dbraw/zinc/23/56/06/652235606.db2.gz YPWPWVBIZARIKW-ZJUUUORDSA-N 1 0 385.313 2.343 20 0 GEADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@@H]2CCCO[C@@H]21 ZINC000658092261 652235756 /nfs/dbraw/zinc/23/57/56/652235756.db2.gz LEHFCPRDCNSGOC-CFVMTHIKSA-N 1 0 382.302 2.367 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000578013158 652236237 /nfs/dbraw/zinc/23/62/37/652236237.db2.gz FIPUWOLRGDASNR-STQMWFEESA-N 1 0 396.329 2.397 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000658123987 652237799 /nfs/dbraw/zinc/23/77/99/652237799.db2.gz OLTITISJADSXNU-AWEZNQCLSA-N 1 0 394.313 2.327 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000658128686 652239230 /nfs/dbraw/zinc/23/92/30/652239230.db2.gz WCXUPDQMEBCRTN-LBPRGKRZSA-N 1 0 394.313 2.327 20 0 GEADRO OCCO[C@]1(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCOC1 ZINC000658149349 652239666 /nfs/dbraw/zinc/23/96/66/652239666.db2.gz SKHNYFSJXWGDFM-RDJZCZTQSA-N 1 0 386.286 2.420 20 0 GEADRO O=S1(=O)CC(CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000623504410 652243135 /nfs/dbraw/zinc/24/31/35/652243135.db2.gz MMQZITJUQHMMOV-UHFFFAOYSA-N 1 0 390.328 2.425 20 0 GEADRO C[N@@H+]1CC[C@@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1(C)C ZINC000623515686 652244259 /nfs/dbraw/zinc/24/42/59/652244259.db2.gz LBFAACIUHKXCTQ-CYBMUJFWSA-N 1 0 377.913 2.220 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749335144 652247327 /nfs/dbraw/zinc/24/73/27/652247327.db2.gz PHNCLJKVORHRJQ-UHFFFAOYSA-N 1 0 393.289 2.031 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658264674 652248204 /nfs/dbraw/zinc/24/82/04/652248204.db2.gz LKZFQFMXQNWVJN-LBPRGKRZSA-N 1 0 383.290 2.080 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H]1OC ZINC000578187506 652251303 /nfs/dbraw/zinc/25/13/03/652251303.db2.gz GCYOJGDCTKYDPX-BVUBDWEXSA-N 1 0 392.265 2.110 20 0 GEADRO COc1cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc(Br)c1OC(F)F ZINC000623663309 652252491 /nfs/dbraw/zinc/25/24/91/652252491.db2.gz FFWXOQRUGAZHTK-KYZUINATSA-N 1 0 379.201 2.413 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000658333890 652254420 /nfs/dbraw/zinc/25/44/20/652254420.db2.gz UXZPAHDLNHNYLR-LBPRGKRZSA-N 1 0 389.327 2.320 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1Br ZINC000578236573 652255305 /nfs/dbraw/zinc/25/53/05/652255305.db2.gz AJDLOZCFPSLQBC-SECBINFHSA-N 1 0 389.649 2.378 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[C@@H]1CC[N@H+](C)C1 ZINC000658359840 652255430 /nfs/dbraw/zinc/25/54/30/652255430.db2.gz DCVKDQYRUQZKQZ-CQSZACIVSA-N 1 0 394.313 2.429 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000658361237 652256349 /nfs/dbraw/zinc/25/63/49/652256349.db2.gz VYHUYJYSINANGA-LLVKDONJSA-N 1 0 375.803 2.433 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c(=O)n1C ZINC000578254746 652256619 /nfs/dbraw/zinc/25/66/19/652256619.db2.gz MQFRIMOWPNVRNS-HWWQOWPSSA-N 1 0 396.329 2.259 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(=O)n1C ZINC000578254747 652256852 /nfs/dbraw/zinc/25/68/52/652256852.db2.gz MQFRIMOWPNVRNS-MQIPJXDCSA-N 1 0 396.329 2.259 20 0 GEADRO CS[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C[C@@H]1[NH+](C)C ZINC000578287429 652259653 /nfs/dbraw/zinc/25/96/53/652259653.db2.gz HWCVZHWZBGMMGL-VHSXEESVSA-N 1 0 384.855 2.368 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ccc[nH]c1=O ZINC000623777356 652260006 /nfs/dbraw/zinc/26/00/06/652260006.db2.gz BCKOVVSPPGMFPN-NSHDSACASA-N 1 0 394.269 2.353 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000658376886 652260185 /nfs/dbraw/zinc/26/01/85/652260185.db2.gz WOAYDPNCCMYBOW-NWANDNLSSA-N 1 0 378.416 2.474 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000749657418 652260663 /nfs/dbraw/zinc/26/06/63/652260663.db2.gz PSYFPPZAEXTREY-LBPRGKRZSA-N 1 0 398.301 2.305 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658379806 652260763 /nfs/dbraw/zinc/26/07/63/652260763.db2.gz WBFRBYHOBFANQV-QWRGUYRKSA-N 1 0 385.686 2.423 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)sc1C(F)(F)F ZINC000578304701 652260715 /nfs/dbraw/zinc/26/07/15/652260715.db2.gz GTXYLQKSTJRNBD-MGCOHNPYSA-N 1 0 378.420 2.290 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000658380267 652261260 /nfs/dbraw/zinc/26/12/60/652261260.db2.gz LGDFZNBBPQWXEX-UHFFFAOYSA-N 1 0 391.306 2.494 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000658380208 652261345 /nfs/dbraw/zinc/26/13/45/652261345.db2.gz IVCHMDWXKHRMNG-TVQRCGJNSA-N 1 0 379.707 2.475 20 0 GEADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000623794036 652261508 /nfs/dbraw/zinc/26/15/08/652261508.db2.gz DUJNYJIIIGTYFY-KPKJPENVSA-N 1 0 377.432 2.189 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000658382473 652261684 /nfs/dbraw/zinc/26/16/84/652261684.db2.gz LVFWYGSYLFUGMA-UWVGGRQHSA-N 1 0 395.294 2.202 20 0 GEADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000658388798 652263720 /nfs/dbraw/zinc/26/37/20/652263720.db2.gz CKWSCZTVVJAQIU-UHFFFAOYSA-N 1 0 386.411 2.461 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000658393885 652264609 /nfs/dbraw/zinc/26/46/09/652264609.db2.gz BVJTZRVCWBCWRA-UHFFFAOYSA-N 1 0 389.315 2.350 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658390783 652264689 /nfs/dbraw/zinc/26/46/89/652264689.db2.gz VFTONLPUWKFFRR-LBPRGKRZSA-N 1 0 376.906 2.304 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC4CC3(C[NH3+])C4)cc21 ZINC000658396508 652265362 /nfs/dbraw/zinc/26/53/62/652265362.db2.gz ZNNDGDWVWVRWTI-UHFFFAOYSA-N 1 0 384.299 2.053 20 0 GEADRO Cc1ccc(Br)cc1[C@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000623896879 652266530 /nfs/dbraw/zinc/26/65/30/652266530.db2.gz BEEYBZYODWRKNV-LBPRGKRZSA-N 1 0 376.316 2.348 20 0 GEADRO CCOc1ccc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1Br ZINC000658407213 652267582 /nfs/dbraw/zinc/26/75/82/652267582.db2.gz ZCWNCYUWYQEQJR-CYBMUJFWSA-N 1 0 379.320 2.500 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C)[NH+](C)C ZINC000658424494 652268926 /nfs/dbraw/zinc/26/89/26/652268926.db2.gz BDAFREYEPUCMAC-SNVBAGLBSA-N 1 0 383.905 2.197 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Br)c2cccnc12)[NH+](C)C ZINC000658429887 652270896 /nfs/dbraw/zinc/27/08/96/652270896.db2.gz ZJJNMVOPZNMPOA-NSHDSACASA-N 1 0 393.285 2.392 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(F)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658465441 652276295 /nfs/dbraw/zinc/27/62/95/652276295.db2.gz AKMAIVOGBWVXHV-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000624361722 652283115 /nfs/dbraw/zinc/28/31/15/652283115.db2.gz WMXORDRBKDIYNT-CQSZACIVSA-N 1 0 377.279 2.271 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000624366314 652283881 /nfs/dbraw/zinc/28/38/81/652283881.db2.gz VUTVBWHGGZJDET-GXFFZTMASA-N 1 0 377.279 2.269 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000578650934 652285646 /nfs/dbraw/zinc/28/56/46/652285646.db2.gz SNQUIRKBPLPXFY-NXEZZACHSA-N 1 0 395.294 2.393 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000658539688 652285818 /nfs/dbraw/zinc/28/58/18/652285818.db2.gz FHPGLSHYFSFQMZ-UHFFFAOYSA-N 1 0 392.656 2.200 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)Cc2cc(Cl)ccc2Br)CCOCC1 ZINC000624388319 652286456 /nfs/dbraw/zinc/28/64/56/652286456.db2.gz UKVAQPARYZGJRP-UHFFFAOYSA-N 1 0 397.722 2.030 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)c1 ZINC000624390638 652287095 /nfs/dbraw/zinc/28/70/95/652287095.db2.gz FJCRARKFNVMGJU-JSGCOSHPSA-N 1 0 380.432 2.460 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2noc3ccccc32)CC[C@H]1C(F)(F)F ZINC000624391178 652287657 /nfs/dbraw/zinc/28/76/57/652287657.db2.gz RDFQRAXWLVXMBA-ZYHUDNBSSA-N 1 0 377.388 2.117 20 0 GEADRO C[C@H](COC1CCCC1)CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624391855 652288379 /nfs/dbraw/zinc/28/83/79/652288379.db2.gz FISWHPVGLZNJRX-UMVBOHGHSA-N 1 0 386.480 2.371 20 0 GEADRO CC(C)(C)c1cc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)no1 ZINC000624392188 652288847 /nfs/dbraw/zinc/28/88/47/652288847.db2.gz LDUPGMRYWDMPHC-PWSUYJOCSA-N 1 0 383.436 2.261 20 0 GEADRO CC(C)(C)c1cc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)no1 ZINC000624392186 652288953 /nfs/dbraw/zinc/28/89/53/652288953.db2.gz LDUPGMRYWDMPHC-CMPLNLGQSA-N 1 0 383.436 2.261 20 0 GEADRO Cn1c2ccccc2cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624392141 652289026 /nfs/dbraw/zinc/28/90/26/652289026.db2.gz JVKPPFJNQFEQTB-QWHCGFSZSA-N 1 0 375.416 2.326 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000624392121 652289163 /nfs/dbraw/zinc/28/91/63/652289163.db2.gz JPYHUBCLPDIARP-NWDGAFQWSA-N 1 0 377.304 2.267 20 0 GEADRO CC[NH2+]CCCNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000578746715 652290378 /nfs/dbraw/zinc/29/03/78/652290378.db2.gz QOVGAYWAXUTQRO-UHFFFAOYSA-N 1 0 387.571 2.479 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1C[NH2+]CCC1(F)F ZINC000578742694 652290458 /nfs/dbraw/zinc/29/04/58/652290458.db2.gz OIXRDCASGYYVEW-GFCCVEGCSA-N 1 0 390.228 2.180 20 0 GEADRO C[NH2+]CCOCCN(C)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000624397802 652290637 /nfs/dbraw/zinc/29/06/37/652290637.db2.gz JXGOUGNQFCKEIT-UHFFFAOYSA-N 1 0 399.738 2.100 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624405501 652290997 /nfs/dbraw/zinc/29/09/97/652290997.db2.gz LIBOSTPEJMKPHI-BDAKNGLRSA-N 1 0 381.267 2.016 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000624405069 652291090 /nfs/dbraw/zinc/29/10/90/652291090.db2.gz BFFSANYALLIDHR-MNOVXSKESA-N 1 0 377.304 2.267 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(Br)c1 ZINC000624411943 652291850 /nfs/dbraw/zinc/29/18/50/652291850.db2.gz AWXLRZBHBJSWDP-GASCZTMLSA-N 1 0 389.315 2.078 20 0 GEADRO Cc1cc(NC(=O)CC[NH+]2CCN(c3cccc(Br)c3)CC2)no1 ZINC000578775029 652292976 /nfs/dbraw/zinc/29/29/76/652292976.db2.gz BRPCWGAPWYATJF-UHFFFAOYSA-N 1 0 393.285 2.896 20 0 GEADRO OC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000578821917 652296086 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CC(C)OC[C@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000659271380 652351831 /nfs/dbraw/zinc/35/18/31/652351831.db2.gz SONVEGUTIXXWOP-HNNXBMFYSA-N 1 0 385.302 2.323 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)c2cn(CC[NH3+])nn2)ccc1Br ZINC000659320120 652354051 /nfs/dbraw/zinc/35/40/51/652354051.db2.gz ZFBSSZPIKBGXEA-OAHLLOKOSA-N 1 0 378.274 2.285 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(Br)cc3c1OCCO3)C2 ZINC000659327617 652354530 /nfs/dbraw/zinc/35/45/30/652354530.db2.gz QWIHANIQKMOTSO-GTNSWQLSSA-N 1 0 381.270 2.421 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1F)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000659381580 652355776 /nfs/dbraw/zinc/35/57/76/652355776.db2.gz JOQFXYHINBFHSG-MRVPVSSYSA-N 1 0 386.200 2.496 20 0 GEADRO O[C@H](C[NH2+]C[C@H](O)COc1ccccc1)COc1cccc(Br)c1 ZINC000579872969 652358968 /nfs/dbraw/zinc/35/89/68/652358968.db2.gz KBJDLEXPRHWNPZ-JKSUJKDBSA-N 1 0 396.281 2.218 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000659486770 652359544 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GEADRO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000659598765 652361038 /nfs/dbraw/zinc/36/10/38/652361038.db2.gz HCYLONXDBNBRLI-UHFFFAOYSA-N 1 0 394.313 2.156 20 0 GEADRO C[C@H]([NH2+]CC[C@@H]1CCNC1=O)c1ccc(Br)cc1OCCCO ZINC000579969821 652361818 /nfs/dbraw/zinc/36/18/18/652361818.db2.gz QMKLVFZIYYVCMH-QWHCGFSZSA-N 1 0 385.302 2.387 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000659635430 652362050 /nfs/dbraw/zinc/36/20/50/652362050.db2.gz PKLBOKMVDWHRTE-SMDDNHRTSA-N 1 0 381.826 2.425 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000659681408 652363130 /nfs/dbraw/zinc/36/31/30/652363130.db2.gz UENZEKOTLODHKW-CZUORRHYSA-N 1 0 398.345 2.376 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)CCCC1 ZINC000659692973 652363411 /nfs/dbraw/zinc/36/34/11/652363411.db2.gz CDCAZBNSDONDNW-GFCCVEGCSA-N 1 0 398.326 2.100 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000659684333 652363463 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C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1c(Br)cncc1Br ZINC000627047649 652413153 /nfs/dbraw/zinc/41/31/53/652413153.db2.gz KFSSEFCYBQZNJK-WRWORJQWSA-N 1 0 392.095 2.156 20 0 GEADRO C[NH2+]CCOCCNC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000627041122 652413237 /nfs/dbraw/zinc/41/32/37/652413237.db2.gz BXTIKODJTGTETK-UHFFFAOYSA-N 1 0 384.318 2.406 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)NCC1(c2ccccc2Br)CCC1 ZINC000627042561 652413291 /nfs/dbraw/zinc/41/32/91/652413291.db2.gz DKUGURMMGHLIPF-CYBMUJFWSA-N 1 0 382.302 2.158 20 0 GEADRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)C2)nc1 ZINC000753740248 652413876 /nfs/dbraw/zinc/41/38/76/652413876.db2.gz BHJMIASQQABDIA-INMHGKMJSA-N 1 0 379.551 2.416 20 0 GEADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000581465805 652414085 /nfs/dbraw/zinc/41/40/85/652414085.db2.gz XWBYUBIIBYFLJJ-UHFFFAOYSA-N 1 0 385.917 2.235 20 0 GEADRO [NH3+]CCCOCCNC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000627119644 652414386 /nfs/dbraw/zinc/41/43/86/652414386.db2.gz SIDYNQNGKJHBBK-UHFFFAOYSA-N 1 0 380.233 2.206 20 0 GEADRO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627129792 652414760 /nfs/dbraw/zinc/41/47/60/652414760.db2.gz UQFAOKVLAUTXER-HOCLYGCPSA-N 1 0 396.329 2.184 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H](C)CCCC[NH3+] ZINC000581547812 652415871 /nfs/dbraw/zinc/41/58/71/652415871.db2.gz YYULDDBPSYLYND-SNVBAGLBSA-N 1 0 391.331 2.408 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000627157405 652416673 /nfs/dbraw/zinc/41/66/73/652416673.db2.gz UFOWDKRICPYXJH-MRXNPFEDSA-N 1 0 383.290 2.138 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000627168901 652416954 /nfs/dbraw/zinc/41/69/54/652416954.db2.gz KYJWASOJDIRXDL-LSDHHAIUSA-N 1 0 388.281 2.233 20 0 GEADRO C[NH2+]CCOCCNC(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000627174251 652417395 /nfs/dbraw/zinc/41/73/95/652417395.db2.gz JGPNGLCDBVVSFA-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO Cc1cc(CC(C)(C)NC(=O)NC[C@@H]2COCC[NH2+]2)ccc1Br ZINC000627188723 652417811 /nfs/dbraw/zinc/41/78/11/652417811.db2.gz HKPYGXXWQZGHDF-CQSZACIVSA-N 1 0 384.318 2.366 20 0 GEADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cn1ccnc1 ZINC000581591844 652418019 /nfs/dbraw/zinc/41/80/19/652418019.db2.gz GQLGFLCEOGAOCE-ZDUSSCGKSA-N 1 0 392.301 2.425 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F)[NH+](C)C ZINC000627193187 652418148 /nfs/dbraw/zinc/41/81/48/652418148.db2.gz ZCQNJIUMTPDPTH-SSDOTTSWSA-N 1 0 380.645 2.246 20 0 GEADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190887 652418213 /nfs/dbraw/zinc/41/82/13/652418213.db2.gz DYFCNOHXFDLHLZ-HIFRSBDPSA-N 1 0 398.301 2.293 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)C[NH2+]1 ZINC000627201790 652418522 /nfs/dbraw/zinc/41/85/22/652418522.db2.gz DIYAHYCAORLQKN-IPYPFGDCSA-N 1 0 384.318 2.040 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C[NH2+]1 ZINC000627210147 652418786 /nfs/dbraw/zinc/41/87/86/652418786.db2.gz MSNWELAKBYKGJY-HIFRSBDPSA-N 1 0 381.318 2.421 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000581647946 652419801 /nfs/dbraw/zinc/41/98/01/652419801.db2.gz XVLYQNNLMIXSTA-BMFZPTHFSA-N 1 0 377.428 2.481 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)NCc3ccc(Br)cc3)C2)nn1 ZINC000581656518 652420481 /nfs/dbraw/zinc/42/04/81/652420481.db2.gz KFDGQAQGLUZKAP-HNNXBMFYSA-N 1 0 393.289 2.046 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000627251427 652420474 /nfs/dbraw/zinc/42/04/74/652420474.db2.gz KQPOOUXCGRBJNI-CYBMUJFWSA-N 1 0 392.297 2.038 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000627251521 652420688 /nfs/dbraw/zinc/42/06/88/652420688.db2.gz ONUFCTQGNAGBNS-MRVPVSSYSA-N 1 0 392.656 2.391 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000627315172 652422694 /nfs/dbraw/zinc/42/26/94/652422694.db2.gz YGYSUZQIBRVKLC-QPUJVOFHSA-N 1 0 394.686 2.008 20 0 GEADRO COCCOC[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000581707382 652422734 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CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000581748688 652424581 /nfs/dbraw/zinc/42/45/81/652424581.db2.gz MKIGKGUWDICYST-GFCCVEGCSA-N 1 0 396.376 2.261 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)C[NH2+]1 ZINC000627364949 652424815 /nfs/dbraw/zinc/42/48/15/652424815.db2.gz BBBPNDWEUSARIF-WFASDCNBSA-N 1 0 396.329 2.100 20 0 GEADRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1OCCCO ZINC000581762678 652424841 /nfs/dbraw/zinc/42/48/41/652424841.db2.gz ZBVMLRNHGBDYBB-STQMWFEESA-N 1 0 385.302 2.339 20 0 GEADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000581771552 652425636 /nfs/dbraw/zinc/42/56/36/652425636.db2.gz OITRQYLUJMLVSQ-LBPRGKRZSA-N 1 0 385.295 2.446 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000581809761 652425837 /nfs/dbraw/zinc/42/58/37/652425837.db2.gz RJSBIIMSSBGKKH-GFCCVEGCSA-N 1 0 382.309 2.148 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627477918 652429615 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CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661605045 652434875 /nfs/dbraw/zinc/43/48/75/652434875.db2.gz PMPCXFLZKUHQCW-HOCLYGCPSA-N 1 0 394.313 2.008 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccc(Br)cc1 ZINC000627645754 652436971 /nfs/dbraw/zinc/43/69/71/652436971.db2.gz OZRJLDIHMJVKCT-HPFXQQBRSA-N 1 0 394.313 2.035 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000754492348 652437484 /nfs/dbraw/zinc/43/74/84/652437484.db2.gz UWWGSYIHXFSMSX-UHFFFAOYSA-N 1 0 389.338 2.489 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000582175590 652438672 /nfs/dbraw/zinc/43/86/72/652438672.db2.gz KHSJLIGXLZVJLC-UHFFFAOYSA-N 1 0 380.286 2.359 20 0 GEADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739248 652439235 /nfs/dbraw/zinc/43/92/35/652439235.db2.gz NGVNPYPDRAMMEI-UHFFFAOYSA-N 1 0 397.317 2.377 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000582241333 652441893 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O[C@@H]1CC[N@@H+](C2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)C1 ZINC000662159087 652449495 /nfs/dbraw/zinc/44/94/95/652449495.db2.gz ZSWDYVXKHXCBBM-OAHLLOKOSA-N 1 0 397.313 2.251 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000582430770 652450053 /nfs/dbraw/zinc/45/00/53/652450053.db2.gz HQKFVQYUEOHVOG-SWLSCSKDSA-N 1 0 382.302 2.102 20 0 GEADRO Cc1cc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)ncc1Br ZINC000628154043 652453509 /nfs/dbraw/zinc/45/35/09/652453509.db2.gz LAIFNZUBIFAWEQ-OAHLLOKOSA-N 1 0 375.307 2.387 20 0 GEADRO Cc1cc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)ncc1Br ZINC000628154042 652453613 /nfs/dbraw/zinc/45/36/13/652453613.db2.gz LAIFNZUBIFAWEQ-HNNXBMFYSA-N 1 0 375.307 2.387 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250118 652454348 /nfs/dbraw/zinc/45/43/48/652454348.db2.gz YHACZYUDRGBIMC-CQSZACIVSA-N 1 0 382.302 2.149 20 0 GEADRO C[C@]1(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCCS1 ZINC000628213241 652455105 /nfs/dbraw/zinc/45/51/05/652455105.db2.gz DASUUNVHAJXRSU-OAHLLOKOSA-N 1 0 376.569 2.144 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)[C@H](N)c2ccccc2Br)C[C@@H](C)O1 ZINC000662368023 652457628 /nfs/dbraw/zinc/45/76/28/652457628.db2.gz KANGEWMRGFLGMS-XJKCOSOUSA-N 1 0 384.318 2.064 20 0 GEADRO O[C@@H]1C[C@H]2CN(Cc3c[nH]nc3-c3ccc(Br)s3)CC[N@@H+]2C1 ZINC000628327518 652457685 /nfs/dbraw/zinc/45/76/85/652457685.db2.gz CUBSBZKQDGAJTR-NWDGAFQWSA-N 1 0 383.315 2.152 20 0 GEADRO OC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)C1CCOCC1 ZINC000582685965 652458816 /nfs/dbraw/zinc/45/88/16/652458816.db2.gz CCFAVQRYULYLKI-HNNXBMFYSA-N 1 0 386.286 2.488 20 0 GEADRO O=C(NCCc1cc(Br)ccc1F)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662414483 652459880 /nfs/dbraw/zinc/45/98/80/652459880.db2.gz SJCUCBAOZZCHOE-NSHDSACASA-N 1 0 381.249 2.361 20 0 GEADRO NC(=O)COc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000755181925 652459924 /nfs/dbraw/zinc/45/99/24/652459924.db2.gz VFGHVZVPLNNRSJ-UHFFFAOYSA-N 1 0 399.310 2.369 20 0 GEADRO O=C(NCCCc1cccc(Br)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000662451817 652461770 /nfs/dbraw/zinc/46/17/70/652461770.db2.gz OEQNZMAPRKVJEL-UHFFFAOYSA-N 1 0 392.301 2.328 20 0 GEADRO COc1ccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc1Br ZINC000662457034 652462197 /nfs/dbraw/zinc/46/21/97/652462197.db2.gz HAFVCTRDIOITMP-UHFFFAOYSA-N 1 0 380.246 2.226 20 0 GEADRO N[C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1Br ZINC000662467012 652463090 /nfs/dbraw/zinc/46/30/90/652463090.db2.gz LKAFQUBDGGPWBX-KRWDZBQOSA-N 1 0 396.329 2.020 20 0 GEADRO O=C(NCc1cccc(Br)c1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662466978 652463111 /nfs/dbraw/zinc/46/31/11/652463111.db2.gz KNFPUNRECLIMHP-CQSZACIVSA-N 1 0 378.274 2.285 20 0 GEADRO C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000662486027 652463722 /nfs/dbraw/zinc/46/37/22/652463722.db2.gz UXARYFDQHBUWTE-VXGBXAGGSA-N 1 0 393.285 2.446 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](N)c2ccccc2Br)C1 ZINC000662487036 652463729 /nfs/dbraw/zinc/46/37/29/652463729.db2.gz PEESCRYSWJFNSE-RHSMWYFYSA-N 1 0 398.345 2.408 20 0 GEADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc2c1CC[NH2+]C2 ZINC000662491441 652464016 /nfs/dbraw/zinc/46/40/16/652464016.db2.gz UFYRKUKTTGOQHM-UHFFFAOYSA-N 1 0 378.881 2.189 20 0 GEADRO C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Oc1ccccc1Br ZINC000662490532 652464115 /nfs/dbraw/zinc/46/41/15/652464115.db2.gz QJSJJFBMMQYJQO-NWDGAFQWSA-N 1 0 393.285 2.446 20 0 GEADRO CN[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662491739 652464133 /nfs/dbraw/zinc/46/41/33/652464133.db2.gz MLAXQGRLNHLLRM-GUYCJALGSA-N 1 0 386.323 2.435 20 0 GEADRO Cc1cc2c(o1)c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)ccc2Br ZINC000582855102 652464244 /nfs/dbraw/zinc/46/42/44/652464244.db2.gz HSBAHPYRPIYQLQ-LLVKDONJSA-N 1 0 396.285 2.300 20 0 GEADRO C[N@H+](CC(=O)N1CCN(c2nccc3sccc32)CC1)[C@H]1CCSC1 ZINC000582877044 652464893 /nfs/dbraw/zinc/46/48/93/652464893.db2.gz GVFHRSSQYIBTRE-AWEZNQCLSA-N 1 0 376.551 2.382 20 0 GEADRO C[NH+](C)CCn1cc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)ccc1=O ZINC000755438912 652465528 /nfs/dbraw/zinc/46/55/28/652465528.db2.gz YEYYSEILJZQOHW-XFXZXTDPSA-N 1 0 381.885 2.476 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000582900896 652466098 /nfs/dbraw/zinc/46/60/98/652466098.db2.gz VCIXSGOYFIXSEA-UHFFFAOYSA-N 1 0 389.315 2.192 20 0 GEADRO CC(C)([NH3+])c1cc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)on1 ZINC000662534178 652466401 /nfs/dbraw/zinc/46/64/01/652466401.db2.gz JKOIVRLAKSWSNP-VIFPVBQESA-N 1 0 388.251 2.345 20 0 GEADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000582909427 652466780 /nfs/dbraw/zinc/46/67/80/652466780.db2.gz WHUVFVCKJRWBGO-JTQLQIEISA-N 1 0 399.257 2.174 20 0 GEADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662544759 652467195 /nfs/dbraw/zinc/46/71/95/652467195.db2.gz DRGIHBVRGHBNQO-SDBXPKJASA-N 1 0 395.232 2.252 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662542993 652467208 /nfs/dbraw/zinc/46/72/08/652467208.db2.gz QIJBBNQVZPSKTO-LBPRGKRZSA-N 1 0 396.264 2.424 20 0 GEADRO CC1(C)CC[NH2+][C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000662552851 652467736 /nfs/dbraw/zinc/46/77/36/652467736.db2.gz UHQIDXKBTUCTEC-AWEZNQCLSA-N 1 0 382.302 2.073 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCN[C@@H](c2ccccc2)C1 ZINC000582948696 652468167 /nfs/dbraw/zinc/46/81/67/652468167.db2.gz JFGHQXKRMZLRAM-QGZVFWFLSA-N 1 0 378.881 2.287 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc(-c2cccc(Br)c2)no1 ZINC000662571622 652468574 /nfs/dbraw/zinc/46/85/74/652468574.db2.gz UKAABDUBKGCDGG-CYBMUJFWSA-N 1 0 380.242 2.212 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662591588 652469197 /nfs/dbraw/zinc/46/91/97/652469197.db2.gz UJUXYJIJUNXFDC-ZDUSSCGKSA-N 1 0 392.301 2.344 20 0 GEADRO O=C(N1CCC(n2cc(Br)cn2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662593606 652469225 /nfs/dbraw/zinc/46/92/25/652469225.db2.gz JOUPSXNFJVDFNH-CYBMUJFWSA-N 1 0 395.223 2.351 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000662605281 652469233 /nfs/dbraw/zinc/46/92/33/652469233.db2.gz LFNPHUDWJFCJBF-UHFFFAOYSA-N 1 0 391.331 2.199 20 0 GEADRO CN[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662630945 652469721 /nfs/dbraw/zinc/46/97/21/652469721.db2.gz JEAXYUDIAYOAFB-MRXNPFEDSA-N 1 0 375.344 2.254 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662642793 652469874 /nfs/dbraw/zinc/46/98/74/652469874.db2.gz GLZIEICLUOMROI-IUODEOHRSA-N 1 0 375.778 2.104 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCC3([NH3+])CCCC3)s2)CC1 ZINC000662651065 652469982 /nfs/dbraw/zinc/46/99/82/652469982.db2.gz OFUPYFPCZKCAPL-UHFFFAOYSA-N 1 0 385.555 2.170 20 0 GEADRO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662642795 652469999 /nfs/dbraw/zinc/46/99/99/652469999.db2.gz GLZIEICLUOMROI-WFASDCNBSA-N 1 0 375.778 2.104 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000628748312 652470012 /nfs/dbraw/zinc/47/00/12/652470012.db2.gz VZFSOBKJFWNJAV-LLVKDONJSA-N 1 0 388.331 2.089 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H](N)c2ccccc2Br)C[C@H](C)O1 ZINC000662688571 652470734 /nfs/dbraw/zinc/47/07/34/652470734.db2.gz QIDOVXDHWBLMPQ-JKIFEVAISA-N 1 0 398.345 2.455 20 0 GEADRO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCc2sc(Br)cc2C1 ZINC000662692472 652470815 /nfs/dbraw/zinc/47/08/15/652470815.db2.gz XRFQLYFTXYRBOT-UHFFFAOYSA-N 1 0 396.314 2.225 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000662725962 652471731 /nfs/dbraw/zinc/47/17/31/652471731.db2.gz BVLCJHPWUYNBEH-SNVBAGLBSA-N 1 0 376.320 2.072 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cnc(C)c(Cl)c2Cl)CC1 ZINC000662744249 652472283 /nfs/dbraw/zinc/47/22/83/652472283.db2.gz ZKWJDBZUPZKGSQ-UHFFFAOYSA-N 1 0 387.311 2.417 20 0 GEADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000583106844 652472594 /nfs/dbraw/zinc/47/25/94/652472594.db2.gz URBBGSRAIOULOO-UHFFFAOYSA-N 1 0 388.555 2.025 20 0 GEADRO O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662752168 652473139 /nfs/dbraw/zinc/47/31/39/652473139.db2.gz GBRXUAIMTOIMNM-CYBMUJFWSA-N 1 0 375.357 2.309 20 0 GEADRO Cc1c2cc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)[nH]c2ccc1Br ZINC000662777456 652474179 /nfs/dbraw/zinc/47/41/79/652474179.db2.gz BOGNKHFSQATOFI-ZDUSSCGKSA-N 1 0 391.313 2.359 20 0 GEADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@H](N3CC=CC3)C2)c2ccccc12 ZINC000755749014 652475186 /nfs/dbraw/zinc/47/51/86/652475186.db2.gz FZFWJQVUIZUEBU-CYBMUJFWSA-N 1 0 375.270 2.063 20 0 GEADRO N[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000662832264 652475710 /nfs/dbraw/zinc/47/57/10/652475710.db2.gz GYIMLMPIPYFJHJ-WMLDXEAASA-N 1 0 396.329 2.162 20 0 GEADRO C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)N1CCN(C)CC1 ZINC000628968855 652476488 /nfs/dbraw/zinc/47/64/88/652476488.db2.gz SZYZYSGPPLFTJD-CXAGYDPISA-N 1 0 387.355 2.348 20 0 GEADRO C[NH+](C)CC[C@@H](N)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862328 652476577 /nfs/dbraw/zinc/47/65/77/652476577.db2.gz KNXXWGBHBQMCDW-CQSZACIVSA-N 1 0 379.302 2.094 20 0 GEADRO Cn1cc(C[C@H](O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000628969170 652476680 /nfs/dbraw/zinc/47/66/80/652476680.db2.gz OVIYZEUQUATBQZ-HOTGVXAUSA-N 1 0 385.295 2.049 20 0 GEADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000583201388 652476857 /nfs/dbraw/zinc/47/68/57/652476857.db2.gz FHPSTYZYPWQMNI-KRWDZBQOSA-N 1 0 378.881 2.117 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)CCn1cnccc1=O)c1ccc(Cl)c(Cl)c1 ZINC000628969628 652476900 /nfs/dbraw/zinc/47/69/00/652476900.db2.gz VWAKKRZJJUUQQX-OAHLLOKOSA-N 1 0 383.279 2.359 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000662927840 652478883 /nfs/dbraw/zinc/47/88/83/652478883.db2.gz GVPUNLLHPLGHKF-AWEZNQCLSA-N 1 0 388.295 2.089 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000662957862 652479267 /nfs/dbraw/zinc/47/92/67/652479267.db2.gz OCWZWNXLZMPEEP-GFCCVEGCSA-N 1 0 382.302 2.025 20 0 GEADRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000583272279 652479657 /nfs/dbraw/zinc/47/96/57/652479657.db2.gz FTBDXZMUAACJPO-UHFFFAOYSA-N 1 0 387.933 2.326 20 0 GEADRO O=C(C(=O)N1CCc2ccc(Cl)c(Cl)c2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662969492 652479693 /nfs/dbraw/zinc/47/96/93/652479693.db2.gz PWMZSOLTOZAPFH-SFHVURJKSA-N 1 0 382.291 2.090 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000662962633 652479737 /nfs/dbraw/zinc/47/97/37/652479737.db2.gz XWWWJSNEZDHDGB-NSHDSACASA-N 1 0 377.286 2.461 20 0 GEADRO CN(CC[NH3+])C(=O)C(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000662980182 652480385 /nfs/dbraw/zinc/48/03/85/652480385.db2.gz OICHHDKPYNDLRR-MRXNPFEDSA-N 1 0 377.897 2.293 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000583310139 652480631 /nfs/dbraw/zinc/48/06/31/652480631.db2.gz PMNMSKXVVGZEAL-UHFFFAOYSA-N 1 0 378.217 2.170 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccnn1C ZINC000583456751 652485567 /nfs/dbraw/zinc/48/55/67/652485567.db2.gz VTNBSEMYCVWMSA-SNVBAGLBSA-N 1 0 377.297 2.356 20 0 GEADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000756081151 652486844 /nfs/dbraw/zinc/48/68/44/652486844.db2.gz PZAUDWISNMFMQY-HNNXBMFYSA-N 1 0 379.302 2.446 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000583490052 652486897 /nfs/dbraw/zinc/48/68/97/652486897.db2.gz VGQJLODDBMATRH-MSQAHXEGSA-N 1 0 394.313 2.150 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000583494577 652487291 /nfs/dbraw/zinc/48/72/91/652487291.db2.gz SITZFCCHZSHPKH-MRXNPFEDSA-N 1 0 380.330 2.281 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000583554861 652489684 /nfs/dbraw/zinc/48/96/84/652489684.db2.gz GXAKCTICJDUSMF-UHFFFAOYSA-N 1 0 398.345 2.347 20 0 GEADRO Cc1sc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1CS(C)(=O)=O ZINC000583559398 652489707 /nfs/dbraw/zinc/48/97/07/652489707.db2.gz KFPIPXMWWXHSDD-INIZCTEOSA-N 1 0 378.519 2.218 20 0 GEADRO COc1c(O)cccc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000583605241 652491426 /nfs/dbraw/zinc/49/14/26/652491426.db2.gz HXWDNYVMNKYWRK-UHFFFAOYSA-N 1 0 394.269 3.007 20 0 GEADRO CC[C@H](C[NH2+]C[C@H](O)CN1CCOCC1)Cc1cccc(Br)c1 ZINC000583626590 652492214 /nfs/dbraw/zinc/49/22/14/652492214.db2.gz XPPFXLDBOXMEQJ-YJBOKZPZSA-N 1 0 385.346 2.301 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000583639753 652492411 /nfs/dbraw/zinc/49/24/11/652492411.db2.gz QNHLCNXOOUHUSB-ZDUSSCGKSA-N 1 0 383.334 2.193 20 0 GEADRO Cc1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)sc1Br ZINC000663311810 652493452 /nfs/dbraw/zinc/49/34/52/652493452.db2.gz QUGFHTFQDRLCLO-LURJTMIESA-N 1 0 381.239 2.329 20 0 GEADRO C[C@]1(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)CC[NH2+]C1 ZINC000663313188 652493799 /nfs/dbraw/zinc/49/37/99/652493799.db2.gz UDVIPBCXGAEMCP-PBHICJAKSA-N 1 0 388.917 2.318 20 0 GEADRO C[C@]1(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC[NH2+]C1 ZINC000663312949 652493822 /nfs/dbraw/zinc/49/38/22/652493822.db2.gz MZGHWYYGSFHRJQ-NSHDSACASA-N 1 0 387.221 2.498 20 0 GEADRO CCn1c2ccc(Br)cc2nc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629576994 652493820 /nfs/dbraw/zinc/49/38/20/652493820.db2.gz WTKUJVMQVJYVLP-CQSZACIVSA-N 1 0 381.318 2.365 20 0 GEADRO O=S(=O)(CC[NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccccc1 ZINC000629590594 652494599 /nfs/dbraw/zinc/49/45/99/652494599.db2.gz VWBVBPGJBQCGTF-UHFFFAOYSA-N 1 0 377.453 2.007 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000583702694 652494868 /nfs/dbraw/zinc/49/48/68/652494868.db2.gz BQAWSMBDJGUTOT-NSHDSACASA-N 1 0 379.258 2.457 20 0 GEADRO O[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1cccc(Br)c1 ZINC000663364547 652495124 /nfs/dbraw/zinc/49/51/24/652495124.db2.gz RTCAOAAIYPTDDH-DLBZAZTESA-N 1 0 399.329 2.032 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]CC/C=C\c2ccc(Br)cc2)CC1 ZINC000629603257 652495234 /nfs/dbraw/zinc/49/52/34/652495234.db2.gz WXKBZYYGARGNAJ-IWQZZHSRSA-N 1 0 388.327 2.382 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000663364782 652495459 /nfs/dbraw/zinc/49/54/59/652495459.db2.gz VPEGFXQVRVHOAV-GFCCVEGCSA-N 1 0 382.309 2.290 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1Br ZINC000583728202 652495794 /nfs/dbraw/zinc/49/57/94/652495794.db2.gz OPOKGVLSGOTLIY-LLVKDONJSA-N 1 0 386.265 2.293 20 0 GEADRO C[N@H+](CC(=O)NCc1ccc(Br)cc1N1CCOCC1)C1CCC1 ZINC000629973573 652500612 /nfs/dbraw/zinc/50/06/12/652500612.db2.gz ATZYIBPUNXNTPN-UHFFFAOYSA-N 1 0 396.329 2.386 20 0 GEADRO CCN(C(=O)NCC(=O)Nc1ccc(Br)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000663442450 652500643 /nfs/dbraw/zinc/50/06/43/652500643.db2.gz IJZVKRFLOLYUAR-CQSZACIVSA-N 1 0 397.317 2.432 20 0 GEADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000583929161 652503079 /nfs/dbraw/zinc/50/30/79/652503079.db2.gz MNHZHZGAKYQNRA-LLVKDONJSA-N 1 0 388.295 2.462 20 0 GEADRO C[C@@]1(NC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[NH2+]C1 ZINC000663583909 652504733 /nfs/dbraw/zinc/50/47/33/652504733.db2.gz GNLDMKZMOJXRDQ-MRXNPFEDSA-N 1 0 383.290 2.159 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663606051 652506104 /nfs/dbraw/zinc/50/61/04/652506104.db2.gz WOKZLTLHKGXQED-AWEZNQCLSA-N 1 0 379.766 2.374 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663606226 652506169 /nfs/dbraw/zinc/50/61/69/652506169.db2.gz YHMQEISKZKXNTA-BDAKNGLRSA-N 1 0 379.766 2.373 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663605372 652506175 /nfs/dbraw/zinc/50/61/75/652506175.db2.gz SPPKSAOKNYJSKU-SECBINFHSA-N 1 0 379.766 2.388 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000584053640 652507482 /nfs/dbraw/zinc/50/74/82/652507482.db2.gz SDSFJBSMNJKIRB-QGZVFWFLSA-N 1 0 386.901 2.281 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000630559431 652511861 /nfs/dbraw/zinc/51/18/61/652511861.db2.gz RSVUUDDJGNCQGF-HKUYNNGSSA-N 1 0 394.357 2.480 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000584162040 652511997 /nfs/dbraw/zinc/51/19/97/652511997.db2.gz ZDFOMTROTNGSPV-JTQLQIEISA-N 1 0 379.814 2.417 20 0 GEADRO Brc1ccc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2c1 ZINC000663880061 652514438 /nfs/dbraw/zinc/51/44/38/652514438.db2.gz ZJSAWODSDRFLIZ-CYBMUJFWSA-N 1 0 380.290 2.040 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC[NH2+]1 ZINC000584279684 652514961 /nfs/dbraw/zinc/51/49/61/652514961.db2.gz ATJJFNMXPZKHNU-MRVPVSSYSA-N 1 0 394.191 2.227 20 0 GEADRO C[C@H](CCNC(=O)NCCCNC(=O)c1cccc(Br)c1)[NH+](C)C ZINC000663902669 652515856 /nfs/dbraw/zinc/51/58/56/652515856.db2.gz YRFIRASGGUHBRH-CYBMUJFWSA-N 1 0 399.333 2.208 20 0 GEADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000584340572 652517289 /nfs/dbraw/zinc/51/72/89/652517289.db2.gz MVABPJHPDOBKPP-SMDDNHRTSA-N 1 0 385.295 2.116 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000584340916 652517442 /nfs/dbraw/zinc/51/74/42/652517442.db2.gz XVYSKNPUZSPPTJ-UONOGXRCSA-N 1 0 387.311 2.250 20 0 GEADRO COc1cc(Cl)c(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000631056388 652519588 /nfs/dbraw/zinc/51/95/88/652519588.db2.gz IXISTBZZEPEGSX-UHFFFAOYSA-N 1 0 376.906 2.118 20 0 GEADRO COCCc1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)s1 ZINC000631100037 652519879 /nfs/dbraw/zinc/51/98/79/652519879.db2.gz QIRAVIQBOWCTAF-UHFFFAOYSA-N 1 0 395.959 2.115 20 0 GEADRO CC(=O)Nc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000631099914 652519915 /nfs/dbraw/zinc/51/99/15/652519915.db2.gz PHQZUOGAFNMTPU-UHFFFAOYSA-N 1 0 387.914 2.428 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)ccc1Cl ZINC000631118441 652520528 /nfs/dbraw/zinc/52/05/28/652520528.db2.gz YFICCQITFGKKQS-UHFFFAOYSA-N 1 0 399.866 2.351 20 0 GEADRO COCCc1ncc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)s1 ZINC000631111767 652520654 /nfs/dbraw/zinc/52/06/54/652520654.db2.gz BYDHLBCASOZTHX-UHFFFAOYSA-N 1 0 381.523 2.162 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCNc1ccccc1 ZINC000757686136 652520710 /nfs/dbraw/zinc/52/07/10/652520710.db2.gz WEEADBUBUICCTH-OAHLLOKOSA-N 1 0 382.917 2.406 20 0 GEADRO CC[C@H](C)[NH+]1CCN(c2cccc(OC(F)(F)F)c2S(N)(=O)=O)CC1 ZINC000631293936 652521124 /nfs/dbraw/zinc/52/11/24/652521124.db2.gz FLLFULUZRKXFEZ-NSHDSACASA-N 1 0 381.420 2.153 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000584463975 652521636 /nfs/dbraw/zinc/52/16/36/652521636.db2.gz AKKOLFXERUCKPQ-UHFFFAOYSA-N 1 0 395.301 2.315 20 0 GEADRO CCc1ccc(S(C)(=O)=O)cc1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000584501281 652523218 /nfs/dbraw/zinc/52/32/18/652523218.db2.gz VFICKYFLYLGGFU-UHFFFAOYSA-N 1 0 384.567 2.210 20 0 GEADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ncsc1Br ZINC000584664149 652524849 /nfs/dbraw/zinc/52/48/49/652524849.db2.gz XZGHYAIMQRLGED-OLZOCXBDSA-N 1 0 396.310 2.271 20 0 GEADRO Cn1ncc(NCC2CC[NH+](Cc3ccncc3)CC2)c(Br)c1=O ZINC000664282304 652525658 /nfs/dbraw/zinc/52/56/58/652525658.db2.gz BCOSFRAMUFXYGV-UHFFFAOYSA-N 1 0 392.301 2.262 20 0 GEADRO O=C(NC[C@H]1CCCN(C(=O)NCc2ccc(Cl)s2)C1)[C@H]1CCC[NH2+]1 ZINC000584708538 652526467 /nfs/dbraw/zinc/52/64/67/652526467.db2.gz INPUTGNBSYNYFC-TZMCWYRMSA-N 1 0 384.933 2.191 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(I)c(Br)c1 ZINC000584719405 652527170 /nfs/dbraw/zinc/52/71/70/652527170.db2.gz TVONLPVWANVNQG-SSDOTTSWSA-N 1 0 397.054 2.473 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(Cl)n(C)nc2C(C)C)CC1 ZINC000758014642 652528396 /nfs/dbraw/zinc/52/83/96/652528396.db2.gz HMCXTBVJIIAEBM-UHFFFAOYSA-N 1 0 376.954 2.348 20 0 GEADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000584809342 652530311 /nfs/dbraw/zinc/53/03/11/652530311.db2.gz GLHZAKDJSGDDKY-JSGCOSHPSA-N 1 0 378.274 2.034 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000631659805 652530313 /nfs/dbraw/zinc/53/03/13/652530313.db2.gz FVKQAKCCDHDHTH-NUEKZKHPSA-N 1 0 385.327 2.101 20 0 GEADRO O=C(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Nc1cccc(Br)c1 ZINC000584834047 652530868 /nfs/dbraw/zinc/53/08/68/652530868.db2.gz OCSLJNCPTCFFOO-ARFHVFGLSA-N 1 0 382.302 2.134 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)COc1cccc(I)c1 ZINC000584837701 652531305 /nfs/dbraw/zinc/53/13/05/652531305.db2.gz MVTKIFPWQKYOHS-GFCCVEGCSA-N 1 0 376.238 2.304 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CCN(c3ncnc4ccc(Br)cc43)CC2)C1 ZINC000664600799 652531503 /nfs/dbraw/zinc/53/15/03/652531503.db2.gz KFLAKANCNVSXOS-CQSZACIVSA-N 1 0 377.286 2.428 20 0 GEADRO CC(C)(C)Oc1nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ncc1Br ZINC000664598831 652531568 /nfs/dbraw/zinc/53/15/68/652531568.db2.gz WOZWFYZDWRONHJ-CYBMUJFWSA-N 1 0 399.333 2.452 20 0 GEADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 ZINC000664604185 652531813 /nfs/dbraw/zinc/53/18/13/652531813.db2.gz CUNQIINWWDDPCU-UHFFFAOYSA-N 1 0 379.766 2.341 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000631709527 652532244 /nfs/dbraw/zinc/53/22/44/652532244.db2.gz MLAXCAAKIWORCN-CABCVRRESA-N 1 0 391.331 2.198 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000631709161 652532355 /nfs/dbraw/zinc/53/23/55/652532355.db2.gz JSQBSRRAOVWROW-CYBMUJFWSA-N 1 0 377.304 2.192 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000631709385 652532376 /nfs/dbraw/zinc/53/23/76/652532376.db2.gz KIVBUYZJDDXXFE-HNNXBMFYSA-N 1 0 393.347 2.446 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000631785002 652533663 /nfs/dbraw/zinc/53/36/63/652533663.db2.gz KAOCOHRCWWNHDB-TUAOUCFPSA-N 1 0 380.436 2.454 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2c[nH]nc2C(F)(F)F)c1 ZINC000631785563 652533994 /nfs/dbraw/zinc/53/39/94/652533994.db2.gz IRQFLYKOWOMTCZ-UHFFFAOYSA-N 1 0 376.404 2.359 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000631799852 652535052 /nfs/dbraw/zinc/53/50/52/652535052.db2.gz IFCUZOFHIJMYIJ-UHFFFAOYSA-N 1 0 382.555 2.136 20 0 GEADRO O=C(c1c(F)cncc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000631817493 652536259 /nfs/dbraw/zinc/53/62/59/652536259.db2.gz NAOVSZDDTZPJLM-LBPRGKRZSA-N 1 0 386.265 2.310 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664723140 652536849 /nfs/dbraw/zinc/53/68/49/652536849.db2.gz VTLQFALJWGVKCB-QGZVFWFLSA-N 1 0 396.329 2.498 20 0 GEADRO O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2cccc(I)c2)CC1 ZINC000585766236 652537541 /nfs/dbraw/zinc/53/75/41/652537541.db2.gz DVEWRRRRJXDTHL-CVEARBPZSA-N 1 0 386.277 2.322 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc(C=O)cc1Br ZINC000758335483 652537614 /nfs/dbraw/zinc/53/76/14/652537614.db2.gz PADJWYDYBHZGEA-ABAIWWIYSA-N 1 0 381.270 2.239 20 0 GEADRO O=c1cc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)nc2ccc(Br)cn12 ZINC000631885551 652537959 /nfs/dbraw/zinc/53/79/59/652537959.db2.gz BSIWBVVIHMBEKN-WFASDCNBSA-N 1 0 377.286 2.031 20 0 GEADRO C[C@@H](CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)[NH+](C)C ZINC000664767301 652538208 /nfs/dbraw/zinc/53/82/08/652538208.db2.gz KNOIIWPZUASKHW-WFASDCNBSA-N 1 0 397.317 2.194 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000664777230 652538535 /nfs/dbraw/zinc/53/85/35/652538535.db2.gz AGMIOGVNFDDEBU-DLBZAZTESA-N 1 0 397.361 2.488 20 0 GEADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(Br)cc(Br)c2)C1 ZINC000631901075 652539114 /nfs/dbraw/zinc/53/91/14/652539114.db2.gz QCMJDFJJHVZXCH-JTQLQIEISA-N 1 0 398.120 2.194 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cnc3c(Br)csc3c2)CC[C@@H]1[NH3+] ZINC000631905822 652539811 /nfs/dbraw/zinc/53/98/11/652539811.db2.gz WAUBTERMPKAQGO-KWQFWETISA-N 1 0 390.328 2.417 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CCO1 ZINC000631907971 652540141 /nfs/dbraw/zinc/54/01/41/652540141.db2.gz YHDNMGOZXIBEKT-CABZTGNLSA-N 1 0 388.358 2.077 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000631913537 652540827 /nfs/dbraw/zinc/54/08/27/652540827.db2.gz LFCLXZALODNEJE-CQSZACIVSA-N 1 0 389.924 2.415 20 0 GEADRO CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916246 652541069 /nfs/dbraw/zinc/54/10/69/652541069.db2.gz VSVMWMUBLLXAKL-IUODEOHRSA-N 1 0 380.432 2.407 20 0 GEADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)Cc1ncsc1Br ZINC000631932220 652541526 /nfs/dbraw/zinc/54/15/26/652541526.db2.gz MOLCPTYBZBCTTA-SKDRFNHKSA-N 1 0 382.349 2.233 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000631929760 652541572 /nfs/dbraw/zinc/54/15/72/652541572.db2.gz NQQWUWOLSUKMJN-UHFFFAOYSA-N 1 0 396.340 2.028 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000631932523 652541738 /nfs/dbraw/zinc/54/17/38/652541738.db2.gz WCOOMMPMRJXUTD-DTWKUNHWSA-N 1 0 390.328 2.417 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1ncsc1Br ZINC000631941242 652542781 /nfs/dbraw/zinc/54/27/81/652542781.db2.gz RTEPEMHIDWLDQP-SNVBAGLBSA-N 1 0 382.349 2.199 20 0 GEADRO CN(C(=O)NCC[N@@H+]1CCCOCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000664958192 652544226 /nfs/dbraw/zinc/54/42/26/652544226.db2.gz KBWSFWAJNJJTGT-HNNXBMFYSA-N 1 0 390.311 2.391 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)Cc2ncsc2Br)C1 ZINC000632048689 652546932 /nfs/dbraw/zinc/54/69/32/652546932.db2.gz RFCOHIXHPNIXOD-JTQLQIEISA-N 1 0 382.349 2.152 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000588136655 652548936 /nfs/dbraw/zinc/54/89/36/652548936.db2.gz BVGCSYUTXRCWFN-MLGOLLRUSA-N 1 0 386.901 2.374 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632085392 652550322 /nfs/dbraw/zinc/55/03/22/652550322.db2.gz NSYHRZNTKJGIDP-UTUOFQBUSA-N 1 0 382.452 2.084 20 0 GEADRO O=S(=O)(C[C@@H]1CCC(F)(F)C1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000632118423 652551571 /nfs/dbraw/zinc/55/15/71/652551571.db2.gz PWIOBSZYDOAQFK-VNQPRFMTSA-N 1 0 380.501 2.109 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000665499887 652553615 /nfs/dbraw/zinc/55/36/15/652553615.db2.gz RYYYVFSUTSCDMN-UHFFFAOYSA-N 1 0 387.571 2.036 20 0 GEADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000632277561 652555047 /nfs/dbraw/zinc/55/50/47/652555047.db2.gz TYFNZGQGFPSUEO-JTQLQIEISA-N 1 0 382.349 2.152 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000632367060 652559327 /nfs/dbraw/zinc/55/93/27/652559327.db2.gz GIXBGBKNFUGEQB-GHMZBOCLSA-N 1 0 382.404 2.307 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OC)cc2Br)C1 ZINC000589232737 652562635 /nfs/dbraw/zinc/56/26/35/652562635.db2.gz ZEKANERPHVJXFJ-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000632431179 652563213 /nfs/dbraw/zinc/56/32/13/652563213.db2.gz VYBZREOCYHWWNQ-SECBINFHSA-N 1 0 390.328 2.289 20 0 GEADRO CCc1csc([C@H](C)NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)n1 ZINC000632466197 652565475 /nfs/dbraw/zinc/56/54/75/652565475.db2.gz PHJQIVWCHXAZFT-LBPRGKRZSA-N 1 0 385.559 2.120 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)[C@H](C)C1 ZINC000632566705 652566878 /nfs/dbraw/zinc/56/68/78/652566878.db2.gz KEUCJSURDBEOHP-VXGBXAGGSA-N 1 0 379.448 2.094 20 0 GEADRO COc1cc(OC)c(NC(=O)c2cnn(CC[NH+](C)C)c2)cc1Br ZINC000632570763 652567395 /nfs/dbraw/zinc/56/73/95/652567395.db2.gz XGFCEVIXNADXNI-UHFFFAOYSA-N 1 0 397.273 2.477 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632569307 652567428 /nfs/dbraw/zinc/56/74/28/652567428.db2.gz GCCNQICHJONJPL-UHFFFAOYSA-N 1 0 381.274 2.146 20 0 GEADRO CSC1(CNc2ncc(I)cn2)CC[NH+](C)CC1 ZINC000589605341 652569648 /nfs/dbraw/zinc/56/96/48/652569648.db2.gz RMWWYAPERZRHPS-UHFFFAOYSA-N 1 0 378.283 2.321 20 0 GEADRO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C2 ZINC000666253084 652569797 /nfs/dbraw/zinc/56/97/97/652569797.db2.gz GTKVCRFRBDKBHG-CYBMUJFWSA-N 1 0 382.869 2.089 20 0 GEADRO CSC1(CNC(=O)c2cnnn2-c2ccccc2Cl)CC[NH+](C)CC1 ZINC000589624055 652569915 /nfs/dbraw/zinc/56/99/15/652569915.db2.gz NJDDDNZIIYBKDB-UHFFFAOYSA-N 1 0 379.917 2.478 20 0 GEADRO CSC1(CNC(=O)c2nc(N3CCCC3)ncc2Cl)CC[NH+](C)CC1 ZINC000589624083 652569945 /nfs/dbraw/zinc/56/99/45/652569945.db2.gz RYJPAQRDUYCTAU-UHFFFAOYSA-N 1 0 383.949 2.287 20 0 GEADRO CSC1(CNC(=O)N2CCN(Cc3cccs3)CC2)CC[NH+](C)CC1 ZINC000589630599 652570081 /nfs/dbraw/zinc/57/00/81/652570081.db2.gz RMSAREZNJZEPTO-UHFFFAOYSA-N 1 0 382.599 2.403 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000589696896 652570840 /nfs/dbraw/zinc/57/08/40/652570840.db2.gz HHCXIFAGKAOEBC-UHFFFAOYSA-N 1 0 395.257 2.246 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)cn1 ZINC000632887427 652581973 /nfs/dbraw/zinc/58/19/73/652581973.db2.gz UQDYSTBCAWSYNZ-AWEZNQCLSA-N 1 0 397.248 2.210 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000633041383 652583038 /nfs/dbraw/zinc/58/30/38/652583038.db2.gz NCAVPXBKUDOHDJ-JQWIXIFHSA-N 1 0 384.274 2.123 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000633043040 652583273 /nfs/dbraw/zinc/58/32/73/652583273.db2.gz XYAPAWBFAMQWCK-VXNVDRBHSA-N 1 0 394.191 2.355 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000633046219 652583641 /nfs/dbraw/zinc/58/36/41/652583641.db2.gz USSPNGFASRIQEE-LLVKDONJSA-N 1 0 386.265 2.421 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000759740899 652584864 /nfs/dbraw/zinc/58/48/64/652584864.db2.gz QXQFLCGRABYLSE-UHFFFAOYSA-N 1 0 386.949 2.316 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000592097484 652585294 /nfs/dbraw/zinc/58/52/94/652585294.db2.gz JAKKZMAKXVHTJU-HIFRSBDPSA-N 1 0 385.302 2.443 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000592097489 652585344 /nfs/dbraw/zinc/58/53/44/652585344.db2.gz JAKKZMAKXVHTJU-ZFWWWQNUSA-N 1 0 385.302 2.443 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000633117963 652586746 /nfs/dbraw/zinc/58/67/46/652586746.db2.gz GKASXJOPKMFSMO-JOYOIKCWSA-N 1 0 388.693 2.009 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CSCCS1 ZINC000759832184 652588179 /nfs/dbraw/zinc/58/81/79/652588179.db2.gz GANMHFBZENUIEC-NWDGAFQWSA-N 1 0 396.003 2.143 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CCO1 ZINC000667003775 652589038 /nfs/dbraw/zinc/58/90/38/652589038.db2.gz RLGXHGGLSIYDGV-WBMJQRKESA-N 1 0 384.933 2.473 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000633256330 652590048 /nfs/dbraw/zinc/59/00/48/652590048.db2.gz KCLPKDAPSJFJJT-DZJNRPSUSA-N 1 0 393.325 2.298 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633266744 652590485 /nfs/dbraw/zinc/59/04/85/652590485.db2.gz VHXSEILPQCCXTK-IKGGRYGDSA-N 1 0 394.313 2.109 20 0 GEADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000592195395 652590542 /nfs/dbraw/zinc/59/05/42/652590542.db2.gz KAPUASLVRPBGCF-GHMZBOCLSA-N 1 0 375.252 2.178 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000667130777 652592847 /nfs/dbraw/zinc/59/28/47/652592847.db2.gz FDRKVRGVMWSOHH-YESZJQIVSA-N 1 0 396.329 2.231 20 0 GEADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1ccc(I)cc1 ZINC000592392619 652593109 /nfs/dbraw/zinc/59/31/09/652593109.db2.gz WXVBPSLLNUCEIL-GFCCVEGCSA-N 1 0 394.278 2.102 20 0 GEADRO CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CCOCC1 ZINC000592393702 652593305 /nfs/dbraw/zinc/59/33/05/652593305.db2.gz KAWHCLNEGVBLFA-CABCVRRESA-N 1 0 375.531 2.070 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(Cc2c(F)ccc(I)c2F)CCO1 ZINC000592428772 652594370 /nfs/dbraw/zinc/59/43/70/652594370.db2.gz UIOAMASGHWWETQ-PRHODGIISA-N 1 0 382.192 2.117 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(CCCOc2cccc(I)c2)CCO1 ZINC000592428589 652594501 /nfs/dbraw/zinc/59/45/01/652594501.db2.gz CODUOLRACUMWOH-IUODEOHRSA-N 1 0 390.265 2.108 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000592433446 652594802 /nfs/dbraw/zinc/59/48/02/652594802.db2.gz FRPWGLWSGQJOAM-OAHLLOKOSA-N 1 0 393.285 2.176 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000633427163 652596469 /nfs/dbraw/zinc/59/64/69/652596469.db2.gz HOZWELFGXTVQLA-CQSZACIVSA-N 1 0 380.290 2.285 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000592488227 652597456 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O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000667265801 652599443 /nfs/dbraw/zinc/59/94/43/652599443.db2.gz BBFBPNNTYCIGEF-JTQLQIEISA-N 1 0 375.803 2.181 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633480685 652599658 /nfs/dbraw/zinc/59/96/58/652599658.db2.gz XJQYXQZFKXBJTR-NRSFXHEJSA-N 1 0 393.325 2.298 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000667295601 652600274 /nfs/dbraw/zinc/60/02/74/652600274.db2.gz VLRAGKNNCJFFRQ-UHFFFAOYSA-N 1 0 394.191 2.275 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(Cl)cc1Br ZINC000592555952 652600427 /nfs/dbraw/zinc/60/04/27/652600427.db2.gz ZBHPCSSBWMBPRK-LBPRGKRZSA-N 1 0 375.650 2.080 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000667330220 652601414 /nfs/dbraw/zinc/60/14/14/652601414.db2.gz PJPWTAVIGFGQFK-ONGXEEELSA-N 1 0 379.404 2.191 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667419659 652604522 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CC1([NH3+])CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000667515295 652609692 /nfs/dbraw/zinc/60/96/92/652609692.db2.gz LYFXJQKNTBMXAL-UHFFFAOYSA-N 1 0 391.269 2.276 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[NH2+]1 ZINC000667517487 652609892 /nfs/dbraw/zinc/60/98/92/652609892.db2.gz MUGVMALFJOSUAF-GFCCVEGCSA-N 1 0 390.228 2.122 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000592984989 652610634 /nfs/dbraw/zinc/61/06/34/652610634.db2.gz YSQDUSLASMIVCL-CQSZACIVSA-N 1 0 394.269 2.441 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ncc(-c2ccccc2Br)o1 ZINC000592984120 652610768 /nfs/dbraw/zinc/61/07/68/652610768.db2.gz IFMZGXVEIRXUJJ-AWEZNQCLSA-N 1 0 394.269 2.441 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(F)cc1Br ZINC000667535868 652610801 /nfs/dbraw/zinc/61/08/01/652610801.db2.gz TWJRZCSPRBXUFT-IINYFYTJSA-N 1 0 384.249 2.046 20 0 GEADRO CCS(=O)(=O)Nc1ccc(NC(=S)NCC2CC[NH+](C)CC2)cc1C ZINC000760479753 652611098 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CCO[C@@H]1CN(C(=O)Nc2cccc(I)c2)C[C@H]1C[NH3+] ZINC000593758699 652635047 /nfs/dbraw/zinc/63/50/47/652635047.db2.gz ONHQXCHWGUDINK-ZWNOBZJWSA-N 1 0 389.237 2.119 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc3c[nH+]cn3c2)s1 ZINC000668250055 652635235 /nfs/dbraw/zinc/63/52/35/652635235.db2.gz ZDMWIRQDYJADOB-NSHDSACASA-N 1 0 378.479 2.071 20 0 GEADRO [NH3+]C1(C(=O)NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)CCC1 ZINC000634298883 652636272 /nfs/dbraw/zinc/63/62/72/652636272.db2.gz AXMNDLUHJGRXPS-UHFFFAOYSA-N 1 0 395.301 2.443 20 0 GEADRO C[C@H]([NH3+])CC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634298855 652636311 /nfs/dbraw/zinc/63/63/11/652636311.db2.gz AGJJWOMLMSZUAB-NSHDSACASA-N 1 0 383.290 2.299 20 0 GEADRO Cc1cc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)nn1-c1cccc(Cl)c1 ZINC000602499163 652640302 /nfs/dbraw/zinc/64/03/02/652640302.db2.gz NQAGLVSRNSBYCG-VWLOTQADSA-N 1 0 380.901 2.273 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(I)cn1 ZINC000594198096 652642745 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COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000594453324 652653638 /nfs/dbraw/zinc/65/36/38/652653638.db2.gz IZQYFFIYTKSJNW-ZYHUDNBSSA-N 1 0 392.880 2.369 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)CC1(O)CCOCC1 ZINC000634710467 652656610 /nfs/dbraw/zinc/65/66/10/652656610.db2.gz ZHPGTFHUIMWMMU-UKRRQHHQSA-N 1 0 389.323 2.454 20 0 GEADRO O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1)CC1(O)CCOCC1 ZINC000634712313 652657488 /nfs/dbraw/zinc/65/74/88/652657488.db2.gz CLBBSKNYRVFMOH-HEHGZKQESA-N 1 0 388.277 2.326 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634713879 652657542 /nfs/dbraw/zinc/65/75/42/652657542.db2.gz CAGQRQUKCQRSRP-BXUZGUMPSA-N 1 0 382.309 2.148 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000634716814 652658223 /nfs/dbraw/zinc/65/82/23/652658223.db2.gz ZXOXTSPQRWMMIY-WBVHZDCISA-N 1 0 375.918 2.005 20 0 GEADRO C[C@](O)(C[C@H](O)C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1)C1CC1 ZINC000634720212 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NS(=O)(=O)c1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000636400897 652802276 /nfs/dbraw/zinc/80/22/76/652802276.db2.gz CENLYNKCAYTWMC-AWEZNQCLSA-N 1 0 379.507 2.246 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2nc(Br)sc2C)CC1 ZINC000764508774 652802945 /nfs/dbraw/zinc/80/29/45/652802945.db2.gz QXFMYYUQYTZDDI-UHFFFAOYSA-N 1 0 389.363 2.362 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000636471939 652804777 /nfs/dbraw/zinc/80/47/77/652804777.db2.gz QVQKQVJIMWXMPB-AWEZNQCLSA-N 1 0 394.317 2.155 20 0 GEADRO CCNC(=O)[C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636486251 652805351 /nfs/dbraw/zinc/80/53/51/652805351.db2.gz JHPAESUBLOQSQQ-QMTHXVAHSA-N 1 0 375.300 2.420 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000671672521 652806566 /nfs/dbraw/zinc/80/65/66/652806566.db2.gz HWEICQWNOBENMJ-CYBMUJFWSA-N 1 0 398.301 2.185 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(I)c[nH]1 ZINC000598261024 652808893 /nfs/dbraw/zinc/80/88/93/652808893.db2.gz 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CN(C(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cn1 ZINC000636682418 652815869 /nfs/dbraw/zinc/81/58/69/652815869.db2.gz LYJNZFCETVDUQK-UHFFFAOYSA-N 1 0 379.258 2.456 20 0 GEADRO COc1ccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1I ZINC000598573778 652822675 /nfs/dbraw/zinc/82/26/75/652822675.db2.gz OQJXSOIFGWCKOF-CYBMUJFWSA-N 1 0 388.249 2.370 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000636813926 652824044 /nfs/dbraw/zinc/82/40/44/652824044.db2.gz CSJKVFUUHLZVBY-HOTGVXAUSA-N 1 0 390.311 2.437 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(CN3c4cc(Br)ccc4C(=O)C3=O)CC[C@@H]21 ZINC000765108163 652824961 /nfs/dbraw/zinc/82/49/61/652824961.db2.gz WUXTYBKKSFOTQV-DOMZBBRYSA-N 1 0 392.297 2.352 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)Cc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000672014994 652825281 /nfs/dbraw/zinc/82/52/81/652825281.db2.gz ZWZHNRPABPWMLJ-CYBMUJFWSA-N 1 0 396.329 2.254 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(CC(=O)Nc1cccc(I)c1)C2 ZINC000598683306 652827999 /nfs/dbraw/zinc/82/79/99/652827999.db2.gz RERXMESOTWOMNE-NHYWBVRUSA-N 1 0 385.249 2.043 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1nccn2c(Br)cnc12 ZINC000765197241 652830336 /nfs/dbraw/zinc/83/03/36/652830336.db2.gz YGJGVAVFKVRPQO-LBPRGKRZSA-N 1 0 378.274 2.239 20 0 GEADRO CS[C@H]1CN(C(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)C[C@@H]1[NH+](C)C ZINC000765258372 652833738 /nfs/dbraw/zinc/83/37/38/652833738.db2.gz FFQQWFHUNKBUOT-GJZGRUSLSA-N 1 0 380.514 2.418 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)N(CCO)Cc1cc(Br)cs1 ZINC000636987566 652833981 /nfs/dbraw/zinc/83/39/81/652833981.db2.gz BUEREQSMELICGB-LBPRGKRZSA-N 1 0 376.320 2.157 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000636989526 652834006 /nfs/dbraw/zinc/83/40/06/652834006.db2.gz XCJORIWLAZLOSS-ZBFHGGJFSA-N 1 0 384.318 2.041 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000765277320 652834737 /nfs/dbraw/zinc/83/47/37/652834737.db2.gz GEXGUIZXLUCACE-OYLFLEFRSA-N 1 0 380.535 2.194 20 0 GEADRO C[C@H](CNC(=O)N1Cc2ccc(Br)cc2C1)C[NH+]1CCN(C)CC1 ZINC000765276284 652834835 /nfs/dbraw/zinc/83/48/35/652834835.db2.gz MMWRLZOVYMORCH-CQSZACIVSA-N 1 0 395.345 2.358 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000598790162 652836591 /nfs/dbraw/zinc/83/65/91/652836591.db2.gz CLNIDWQKZAUDGV-GFCCVEGCSA-N 1 0 389.279 2.326 20 0 GEADRO O=C(N[C@@H]1Cc2cncn2C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000637123039 652840262 /nfs/dbraw/zinc/84/02/62/652840262.db2.gz UYWBELMFQSTXOG-QMTHXVAHSA-N 1 0 377.242 2.393 20 0 GEADRO COC(=O)Cn1cc(CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000598997801 652844077 /nfs/dbraw/zinc/84/40/77/652844077.db2.gz JAESKKAWUKDOOJ-OAHLLOKOSA-N 1 0 386.283 2.150 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccc(Br)cc1Cl ZINC000599008334 652845046 /nfs/dbraw/zinc/84/50/46/652845046.db2.gz MYJSBYCVXKGVDA-UHFFFAOYSA-N 1 0 377.666 2.262 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000599083246 652847523 /nfs/dbraw/zinc/84/75/23/652847523.db2.gz WNWGIOLJOJYVGP-VIFPVBQESA-N 1 0 393.228 2.447 20 0 GEADRO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765684181 652847617 /nfs/dbraw/zinc/84/76/17/652847617.db2.gz SBYPDESRBOFMFX-HIFRSBDPSA-N 1 0 376.469 2.444 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085274 652848084 /nfs/dbraw/zinc/84/80/84/652848084.db2.gz OHRSLWOKLMEREM-CZUORRHYSA-N 1 0 388.293 2.269 20 0 GEADRO CC(C)Cc1ncnc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1I ZINC000599084732 652848170 /nfs/dbraw/zinc/84/81/70/652848170.db2.gz WJSFXKLUXHJGMW-YABSGUDNSA-N 1 0 386.281 2.276 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)/C=C/c2cccs2)c1 ZINC000765730460 652850395 /nfs/dbraw/zinc/85/03/95/652850395.db2.gz NCYIPFVKTOYGKE-CMDGGOBGSA-N 1 0 379.507 2.240 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H]3CC[NH2+][C@H]3CC)ccc2s1 ZINC000599107210 652850514 /nfs/dbraw/zinc/85/05/14/652850514.db2.gz KLFUIBAIBYLOKM-UONOGXRCSA-N 1 0 382.507 2.497 20 0 GEADRO O=C(NCC[NH2+]C1CC1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000637348289 652852604 /nfs/dbraw/zinc/85/26/04/652852604.db2.gz RFKSEUJFKFRMRP-UHFFFAOYSA-N 1 0 380.246 2.050 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000765929322 652857904 /nfs/dbraw/zinc/85/79/04/652857904.db2.gz DNRJBFLYWPHYNR-CYBMUJFWSA-N 1 0 395.301 2.224 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000673224354 652858786 /nfs/dbraw/zinc/85/87/86/652858786.db2.gz DOYNJQHHGNSQSM-CYBMUJFWSA-N 1 0 398.345 2.466 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)N1CCC[C@](O)(CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000637472065 652861998 /nfs/dbraw/zinc/86/19/98/652861998.db2.gz DKDOUVSYCMYZOG-NVXWUHKLSA-N 1 0 390.311 2.125 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C[C@H]1C(N)=O ZINC000637472307 652862200 /nfs/dbraw/zinc/86/22/00/652862200.db2.gz FWNKHDLVTPVBRV-HCKVZZMMSA-N 1 0 387.311 2.359 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCCCOCCO)c1ccc(Cl)c(Cl)c1 ZINC000637474056 652862859 /nfs/dbraw/zinc/86/28/59/652862859.db2.gz NIAQEKZZKLYBEM-HNNXBMFYSA-N 1 0 378.300 2.294 20 0 GEADRO CC[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C(=O)NC ZINC000637474791 652862893 /nfs/dbraw/zinc/86/28/93/652862893.db2.gz RHHQKCOOCDBGKT-UONOGXRCSA-N 1 0 375.300 2.420 20 0 GEADRO C[C@H](O)CN(C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@@H](C)CO ZINC000637475418 652863196 /nfs/dbraw/zinc/86/31/96/652863196.db2.gz VOEYVNNBRXJJTD-MQIPJXDCSA-N 1 0 392.327 2.369 20 0 GEADRO CN1CCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCC1=O ZINC000637474966 652863290 /nfs/dbraw/zinc/86/32/90/652863290.db2.gz TTZWJTWXXGPRIP-HNNXBMFYSA-N 1 0 387.311 2.470 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)N1CCn2nncc2C1)c1ccc(Cl)c(Cl)c1 ZINC000637475703 652863355 /nfs/dbraw/zinc/86/33/55/652863355.db2.gz WGGHNFDYDCGZLP-HNNXBMFYSA-N 1 0 383.283 2.413 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)c(OC)c3)C2)CC1 ZINC000599369914 652865046 /nfs/dbraw/zinc/86/50/46/652865046.db2.gz LWZPBOLQDAXVQY-OAHLLOKOSA-N 1 0 396.329 2.310 20 0 GEADRO COc1ccc(C[C@@](C)([NH3+])CNc2ncc(I)cn2)cc1 ZINC000766089939 652866453 /nfs/dbraw/zinc/86/64/53/652866453.db2.gz RWMSKWGZKXLDNL-OAHLLOKOSA-N 1 0 398.248 2.462 20 0 GEADRO O=C1c2ccc(Br)cc2C(=O)N1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000766094457 652866803 /nfs/dbraw/zinc/86/68/03/652866803.db2.gz RPFQPMKOEDSVQE-ZDUSSCGKSA-N 1 0 392.297 2.420 20 0 GEADRO O=C(CSc1cccc(Br)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673515434 652866984 /nfs/dbraw/zinc/86/69/84/652866984.db2.gz WUWVHIFBVUKHPR-UONOGXRCSA-N 1 0 385.327 2.209 20 0 GEADRO O=C(CSc1cccc(Br)c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515431 652867011 /nfs/dbraw/zinc/86/70/11/652867011.db2.gz WUWVHIFBVUKHPR-KGLIPLIRSA-N 1 0 385.327 2.209 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000637634181 652867761 /nfs/dbraw/zinc/86/77/61/652867761.db2.gz HVQPELNOYBDPOV-ZDUSSCGKSA-N 1 0 384.322 2.343 20 0 GEADRO Cc1ccc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Br ZINC000637776002 652872772 /nfs/dbraw/zinc/87/27/72/652872772.db2.gz XDEFVQRMEBHKLV-MRXNPFEDSA-N 1 0 396.329 2.498 20 0 GEADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000637797742 652873927 /nfs/dbraw/zinc/87/39/27/652873927.db2.gz HFNYMBHYACQWLC-SJLPKXTDSA-N 1 0 380.330 2.138 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599464923 652874271 /nfs/dbraw/zinc/87/42/71/652874271.db2.gz XHIPQSOFJBAYGH-CQSZACIVSA-N 1 0 386.901 2.422 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637815671 652874502 /nfs/dbraw/zinc/87/45/02/652874502.db2.gz WVTVYDQWDXJVFJ-ZBFHGGJFSA-N 1 0 394.313 2.056 20 0 GEADRO CC(C)[N@@H+]1CCCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000637829605 652874672 /nfs/dbraw/zinc/87/46/72/652874672.db2.gz PEMHUHMNJMNAPW-UHFFFAOYSA-N 1 0 390.347 2.013 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2scc(Br)c2Br)CCO1 ZINC000637867027 652876053 /nfs/dbraw/zinc/87/60/53/652876053.db2.gz QXTIKRVYJQHMCM-SVRRBLITSA-N 1 0 398.120 2.461 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000637835690 652875222 /nfs/dbraw/zinc/87/52/22/652875222.db2.gz PZZKUOBQBIDOGZ-ZBFHGGJFSA-N 1 0 394.313 2.008 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637848181 652875656 /nfs/dbraw/zinc/87/56/56/652875656.db2.gz ROMFJDWTNZAHBI-CABCVRRESA-N 1 0 382.302 2.040 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2scc(Br)c2Br)CCO1 ZINC000637867026 652876177 /nfs/dbraw/zinc/87/61/77/652876177.db2.gz QXTIKRVYJQHMCM-POYBYMJQSA-N 1 0 398.120 2.461 20 0 GEADRO CO[C@]1(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCOC1 ZINC000637940832 652878209 /nfs/dbraw/zinc/87/82/09/652878209.db2.gz BGUFHGCVKAPVOQ-KRWDZBQOSA-N 1 0 398.301 2.300 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000673984512 652878663 /nfs/dbraw/zinc/87/86/63/652878663.db2.gz SPDSWEGHTXEGSN-AWEZNQCLSA-N 1 0 398.472 2.442 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000599597077 652879283 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[NH3+]Cc1cccc2c1N(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)CCC2 ZINC000638545283 652893803 /nfs/dbraw/zinc/89/38/03/652893803.db2.gz RKMBVQMMRIIBFB-UHFFFAOYSA-N 1 0 399.925 2.118 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)CC[C@H]1C(F)(F)F ZINC000638552903 652894283 /nfs/dbraw/zinc/89/42/83/652894283.db2.gz ZOXBBVZYINVIMJ-RKDXNWHRSA-N 1 0 382.180 2.149 20 0 GEADRO COc1cccc(C[C@@H]([NH3+])C(=O)NCc2cc(Br)cnc2OC)c1 ZINC000638559012 652894382 /nfs/dbraw/zinc/89/43/82/652894382.db2.gz BDRMBRHMWIYSRC-OAHLLOKOSA-N 1 0 394.269 2.048 20 0 GEADRO C[NH2+]CCOCCNC(=O)c1cc(Br)c(C)cc1Br ZINC000638575148 652895670 /nfs/dbraw/zinc/89/56/70/652895670.db2.gz LQNPUKSAKRIMPA-UHFFFAOYSA-N 1 0 394.107 2.486 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638572136 652895695 /nfs/dbraw/zinc/89/56/95/652895695.db2.gz IIDDJSUCTCREAX-UHFFFAOYSA-N 1 0 388.287 2.106 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000638588244 652896385 /nfs/dbraw/zinc/89/63/85/652896385.db2.gz 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C[C@H]1C[NH+](CCCCNC(=O)CCn2cc(Br)cn2)C[C@H](C)O1 ZINC000674733388 652910422 /nfs/dbraw/zinc/91/04/22/652910422.db2.gz YFRDGQZPVLUMLN-KBPBESRZSA-N 1 0 387.322 2.041 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767080715 652911814 /nfs/dbraw/zinc/91/18/14/652911814.db2.gz ISOHUYRFLCMKTL-AWEZNQCLSA-N 1 0 377.551 2.036 20 0 GEADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913460 652912499 /nfs/dbraw/zinc/91/24/99/652912499.db2.gz QWNJMADUJVQIOI-HOTGVXAUSA-N 1 0 389.297 2.497 20 0 GEADRO C[C@H](NCc1ccc(S(N)(=O)=O)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638914684 652912604 /nfs/dbraw/zinc/91/26/04/652912604.db2.gz CTECDJPYJVQPDG-HOCLYGCPSA-N 1 0 379.551 2.396 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000638939160 652914316 /nfs/dbraw/zinc/91/43/16/652914316.db2.gz DOCPJCKNFOCIBV-WBMJQRKESA-N 1 0 394.313 2.249 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccccc1SCc1cscn1 ZINC000600477603 652918049 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CC[NH+]1CCN(CC(C)(C)NCc2snc(OC)c2Br)CC1 ZINC000639253364 652928650 /nfs/dbraw/zinc/92/86/50/652928650.db2.gz MPAQKRPGIFDTAZ-UHFFFAOYSA-N 1 0 391.379 2.420 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccc(F)cc1 ZINC000639267925 652929420 /nfs/dbraw/zinc/92/94/20/652929420.db2.gz PXCNAKYNEMMCHJ-CYBMUJFWSA-N 1 0 379.233 2.497 20 0 GEADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000639310067 652931725 /nfs/dbraw/zinc/93/17/25/652931725.db2.gz BLUYGRMOBDHYJQ-CQSZACIVSA-N 1 0 392.301 2.228 20 0 GEADRO COc1nsc(CN[C@@H]2CCO[C@@H]2c2nc(C)no2)c1Br ZINC000639357131 652933929 /nfs/dbraw/zinc/93/39/29/652933929.db2.gz RIWJKRYSGRCGTQ-XCBNKYQSSA-N 1 0 375.248 2.225 20 0 GEADRO C[C@]12C[N@H+](Cc3ccc(Br)c4cccnc34)C[C@@]1(C)C(=O)NC2=O ZINC000639363774 652934464 /nfs/dbraw/zinc/93/44/64/652934464.db2.gz AUODOKGGAYUVIY-HDICACEKSA-N 1 0 388.265 2.482 20 0 GEADRO C[C@](O)(C[C@@H](O)C[N@H+](CCO)Cc1ccc(Br)s1)C1CC1 ZINC000639611087 652943355 /nfs/dbraw/zinc/94/33/55/652943355.db2.gz 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COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000601293472 653084993 /nfs/dbraw/zinc/08/49/93/653084993.db2.gz HVDGOFXPRHURCC-COPLHBTASA-N 1 0 399.285 2.319 20 0 GEADRO CC[N@H+](Cc1ccc(S(=O)(=O)NC)cc1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639824670 653085869 /nfs/dbraw/zinc/08/58/69/653085869.db2.gz INRBFIFTSNSLFK-CQSZACIVSA-N 1 0 379.448 2.053 20 0 GEADRO COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639855315 653086453 /nfs/dbraw/zinc/08/64/53/653086453.db2.gz BLNNHXZVYWEAPD-INIZCTEOSA-N 1 0 395.301 2.383 20 0 GEADRO [NH3+][C@@H]1CCCCCN(CC(=O)Nc2ccccc2I)C1 ZINC000601324488 653086544 /nfs/dbraw/zinc/08/65/44/653086544.db2.gz OQQIJZWDAAQZED-GFCCVEGCSA-N 1 0 387.265 2.433 20 0 GEADRO OC[C@]1([NH2+]C[C@@H]2CCc3ncnn32)CCc2cc(Br)ccc2C1 ZINC000639890573 653087512 /nfs/dbraw/zinc/08/75/12/653087512.db2.gz VLCOUBQYRMFSFU-RDJZCZTQSA-N 1 0 377.286 2.038 20 0 GEADRO O=C(C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)Nc1ccccn1 ZINC000639889764 653087582 /nfs/dbraw/zinc/08/75/82/653087582.db2.gz JEUDNANRHPPOBM-GOSISDBHSA-N 1 0 390.281 2.292 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000601346610 653087739 /nfs/dbraw/zinc/08/77/39/653087739.db2.gz SXEIZGDXANBWQB-CQSZACIVSA-N 1 0 382.507 2.082 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000639906422 653088090 /nfs/dbraw/zinc/08/80/90/653088090.db2.gz LGBQVFUXSHKYPV-XZJROXQQSA-N 1 0 376.881 2.180 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc(Br)c3nccn3c2)C[C@H]1[NH+](C)C ZINC000601379936 653089873 /nfs/dbraw/zinc/08/98/73/653089873.db2.gz PSHHXLUSGPCSBA-OLZOCXBDSA-N 1 0 383.315 2.214 20 0 GEADRO CO[C@H]1C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)[C@](C)(CO)C1 ZINC000640005462 653093292 /nfs/dbraw/zinc/09/32/92/653093292.db2.gz WSOJIRCXIFLVHX-DYVFJYSZSA-N 1 0 375.296 2.124 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000676337846 653094585 /nfs/dbraw/zinc/09/45/85/653094585.db2.gz CNKQTTFIHXUSKJ-LSDHHAIUSA-N 1 0 389.949 2.023 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCCSC(F)(F)F)CC2)CC1 ZINC000771204528 653100561 /nfs/dbraw/zinc/10/05/61/653100561.db2.gz NQKAJEZBWGKUBY-UHFFFAOYSA-N 1 0 382.496 2.439 20 0 GEADRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640234916 653105226 /nfs/dbraw/zinc/10/52/26/653105226.db2.gz GQRXIEVHOAQZQU-UHFFFAOYSA-N 1 0 385.306 2.405 20 0 GEADRO CN(CC[NH+](C)C)C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640235910 653105810 /nfs/dbraw/zinc/10/58/10/653105810.db2.gz NAPORDGOIBRRJS-UHFFFAOYSA-N 1 0 385.306 2.311 20 0 GEADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000640295296 653110552 /nfs/dbraw/zinc/11/05/52/653110552.db2.gz UCGDIMKRXXLQEW-LLVKDONJSA-N 1 0 379.814 3.048 20 0 GEADRO Cn1cc(Br)c(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000640309118 653114272 /nfs/dbraw/zinc/11/42/72/653114272.db2.gz XFTWLDZGFTWUQI-UHFFFAOYSA-N 1 0 392.301 2.922 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccnc(Br)c3)CC2)CC1 ZINC000771511050 653114257 /nfs/dbraw/zinc/11/42/57/653114257.db2.gz MLDWQDDHRHBFPY-UHFFFAOYSA-N 1 0 395.345 2.475 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2nn(C)cc2Br)CC1 ZINC000640310831 653115328 /nfs/dbraw/zinc/11/53/28/653115328.db2.gz DJEKQOBMHKIFJH-UHFFFAOYSA-N 1 0 386.338 3.062 20 0 GEADRO C[C@@H](NC(=O)NCC[NH+]1CCC1)c1cc2c(cc1Br)OCCO2 ZINC000677009135 653118999 /nfs/dbraw/zinc/11/89/99/653118999.db2.gz ATHOAMNDHYILPX-LLVKDONJSA-N 1 0 384.274 2.286 20 0 GEADRO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)[C@H](CO)c1cccc(Br)c1 ZINC000678048101 653124836 /nfs/dbraw/zinc/12/48/36/653124836.db2.gz SHUPWVXEOXYVQO-SWLSCSKDSA-N 1 0 376.316 2.239 20 0 GEADRO CC(C)(C(=O)OCc1cc(=O)n2cc(Br)ccc2n1)[NH+]1CCCC1 ZINC000805614485 653125471 /nfs/dbraw/zinc/12/54/71/653125471.db2.gz HUPDZBLCMRVFCW-UHFFFAOYSA-N 1 0 394.269 2.375 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)cn1 ZINC000678091540 653126281 /nfs/dbraw/zinc/12/62/81/653126281.db2.gz UTXGVICFQFDVML-HNNXBMFYSA-N 1 0 396.289 2.062 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000601831252 653129702 /nfs/dbraw/zinc/12/97/02/653129702.db2.gz RMEQYNAFWBMDSN-UHFFFAOYSA-N 1 0 385.306 2.232 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)/C=C/c3cccc(Cl)c3)CC2)C1 ZINC000768836849 653129920 /nfs/dbraw/zinc/12/99/20/653129920.db2.gz ZOIILARWKVZIBM-UTGRISEESA-N 1 0 383.945 2.352 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)/C=C/c3cccc(Cl)c3)CC2)C1 ZINC000768836845 653130087 /nfs/dbraw/zinc/13/00/87/653130087.db2.gz ZOIILARWKVZIBM-JQTSXJCQSA-N 1 0 383.945 2.352 20 0 GEADRO C[NH+](C)CCn1cc(NS(=O)(=O)/C=C\c2cccc(Cl)c2)ccc1=O ZINC000768864456 653133272 /nfs/dbraw/zinc/13/32/72/653133272.db2.gz RDLBVXAYQNMISB-FLIBITNWSA-N 1 0 381.885 2.476 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c(=O)n1C ZINC000640626907 653134250 /nfs/dbraw/zinc/13/42/50/653134250.db2.gz ZGNPGZXEAWDPQX-AWEZNQCLSA-N 1 0 384.318 2.259 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975599 653134618 /nfs/dbraw/zinc/13/46/18/653134618.db2.gz ZGYDQWSJCATZNQ-TXEJJXNPSA-N 1 0 386.233 2.116 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000771960276 653134830 /nfs/dbraw/zinc/13/48/30/653134830.db2.gz KKEZFACDQNJARO-NSHDSACASA-N 1 0 395.294 2.312 20 0 GEADRO Cc1ccc(NC(=O)Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)c(Br)c1 ZINC000640771763 653138180 /nfs/dbraw/zinc/13/81/80/653138180.db2.gz NTQSPFBUOYHONH-HOCLYGCPSA-N 1 0 394.273 2.167 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)Cn1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640836020 653140801 /nfs/dbraw/zinc/14/08/01/653140801.db2.gz QPJAPKPGOLQNIC-GDBMZVCRSA-N 1 0 394.273 2.167 20 0 GEADRO COCC[NH2+]CCc1cn([C@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640902232 653145686 /nfs/dbraw/zinc/14/56/86/653145686.db2.gz YAKIEEITGHQDLU-GFCCVEGCSA-N 1 0 396.289 2.019 20 0 GEADRO COC[C@H]([NH3+])Cc1cn(Cc2cc(Br)cc3cccnc32)nn1 ZINC000640949102 653146843 /nfs/dbraw/zinc/14/68/43/653146843.db2.gz FQBBZBGTBFTBLK-CQSZACIVSA-N 1 0 376.258 2.153 20 0 GEADRO Brc1ccc2nc(Cn3cc(C[C@H]4CCC[NH2+]C4)nn3)cn2c1 ZINC000640958989 653147557 /nfs/dbraw/zinc/14/75/57/653147557.db2.gz UFNTUYQWEWKZMO-GFCCVEGCSA-N 1 0 375.274 2.279 20 0 GEADRO [NH3+]C[C@H](O)CCc1cn(Cc2csc(Cc3ccc(Cl)cc3)n2)nn1 ZINC000640949791 653147580 /nfs/dbraw/zinc/14/75/80/653147580.db2.gz ZESSNJYYTRVLER-MRXNPFEDSA-N 1 0 377.901 2.279 20 0 GEADRO O=C(Cn1cc([C@@H]2CCC[NH2+]C2)nn1)NCCc1cccc(Cl)c1Cl ZINC000640983264 653148330 /nfs/dbraw/zinc/14/83/30/653148330.db2.gz SXQLSWSEYRBSHY-CYBMUJFWSA-N 1 0 382.295 2.411 20 0 GEADRO Brc1cc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)cc2c1OCO2 ZINC000640986529 653149155 /nfs/dbraw/zinc/14/91/55/653149155.db2.gz FOVGSQLNNFOHFX-NSHDSACASA-N 1 0 379.258 2.360 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000769395994 653151907 /nfs/dbraw/zinc/15/19/07/653151907.db2.gz PKNOURRBWANLOJ-UHFFFAOYSA-N 1 0 382.917 2.059 20 0 GEADRO COC[C@@H]([NH3+])Cc1cn(Cc2ncc(-c3cccc(Br)c3)o2)nn1 ZINC000641072864 653154638 /nfs/dbraw/zinc/15/46/38/653154638.db2.gz LRISAFCDYOSTDC-ZDUSSCGKSA-N 1 0 392.257 2.260 20 0 GEADRO CSCC[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000806207189 653156089 /nfs/dbraw/zinc/15/60/89/653156089.db2.gz PKAFSZUZJUQIIS-OAHLLOKOSA-N 1 0 387.615 2.112 20 0 GEADRO O=C(CCC(=O)N1CCSc2ccccc21)NCC[NH+]1CCSCC1 ZINC000602183372 653156281 /nfs/dbraw/zinc/15/62/81/653156281.db2.gz KWRSLXFXBYUOKY-UHFFFAOYSA-N 1 0 379.551 2.071 20 0 GEADRO O=C1[C@H](n2cc(C[C@H]3CC[NH2+]C3)nn2)CCN1c1cccc(Br)c1 ZINC000641106056 653157191 /nfs/dbraw/zinc/15/71/91/653157191.db2.gz ZQRZQIHQUNSSOZ-MLGOLLRUSA-N 1 0 390.285 2.171 20 0 GEADRO C[NH+](C)CCc1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641106066 653157332 /nfs/dbraw/zinc/15/73/32/653157332.db2.gz ZWJNULZGAQFDBO-OAHLLOKOSA-N 1 0 378.274 2.123 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000769485618 653159627 /nfs/dbraw/zinc/15/96/27/653159627.db2.gz VVQLYABBLZKYAP-NWANDNLSSA-N 1 0 388.965 2.119 20 0 GEADRO Cn1cc(I)c(C(=O)NCC2([NH+](C)C)CCCCC2)n1 ZINC000602229550 653159740 /nfs/dbraw/zinc/15/97/40/653159740.db2.gz FKRVFSZJFVCUPY-UHFFFAOYSA-N 1 0 390.269 2.019 20 0 GEADRO Clc1ccc(Br)c(Cn2cc(CCN3CC[NH2+]CC3)nn2)c1 ZINC000641126199 653159759 /nfs/dbraw/zinc/15/97/59/653159759.db2.gz JOPFVRUUCAPWSO-UHFFFAOYSA-N 1 0 384.709 2.190 20 0 GEADRO Cc1ccc(Cn2cc(CCN3CCC([NH3+])CC3)nn2)cc1Br ZINC000641138580 653161712 /nfs/dbraw/zinc/16/17/12/653161712.db2.gz DWRUDNVZPALYBY-UHFFFAOYSA-N 1 0 378.318 2.363 20 0 GEADRO CCCOc1ccc(Br)cc1Cn1cc(CC[C@@H](O)C[NH3+])nn1 ZINC000641135764 653161969 /nfs/dbraw/zinc/16/19/69/653161969.db2.gz XXXDYXGQNUEESR-OAHLLOKOSA-N 1 0 383.290 2.130 20 0 GEADRO CC(C)c1nnc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)[nH]1 ZINC000641171706 653165415 /nfs/dbraw/zinc/16/54/15/653165415.db2.gz VOSUDAJVFPGJAZ-CQSZACIVSA-N 1 0 376.262 2.379 20 0 GEADRO [NH3+][C@H](c1cn(CCOc2cc(F)cc(Br)c2)nn1)[C@H]1CCCO1 ZINC000641178024 653166734 /nfs/dbraw/zinc/16/67/34/653166734.db2.gz UKQQERLJZYICRJ-HUUCEWRRSA-N 1 0 385.237 2.438 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)COc2c(Cl)cccc2Cl)nn1)[C@@H]1CCCO1 ZINC000641200504 653169800 /nfs/dbraw/zinc/16/98/00/653169800.db2.gz BEJNYDJQIFPESA-WKPIXPDZSA-N 1 0 387.267 2.204 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000680828616 653169950 /nfs/dbraw/zinc/16/99/50/653169950.db2.gz VZFDPABEBJALBJ-OAHLLOKOSA-N 1 0 391.693 2.054 20 0 GEADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc(Br)ccc3O)CC2)CC1 ZINC000680841254 653170746 /nfs/dbraw/zinc/17/07/46/653170746.db2.gz OYZMGXCHVSNYJV-GASCZTMLSA-N 1 0 396.329 2.443 20 0 GEADRO CCC[C@@H]([NH3+])c1cn(C[C@@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641228283 653171341 /nfs/dbraw/zinc/17/13/41/653171341.db2.gz GCSMYVUCFLOOKG-TZMCWYRMSA-N 1 0 387.253 2.420 20 0 GEADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1nccn2c(Br)cnc12 ZINC000769713758 653172227 /nfs/dbraw/zinc/17/22/27/653172227.db2.gz PNYGSJVRFOPQBZ-UHFFFAOYSA-N 1 0 378.274 2.096 20 0 GEADRO COc1cc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)sn1 ZINC000641261512 653174528 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COCCSc1ccc([C@@H](C)NC(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1 ZINC000602452232 653182028 /nfs/dbraw/zinc/18/20/28/653182028.db2.gz SPTQNJJFLAUNJT-PWECECGKSA-N 1 0 384.567 2.103 20 0 GEADRO C[C@@H]1COCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000641302779 653182327 /nfs/dbraw/zinc/18/23/27/653182327.db2.gz UKDWFSGXBQZYSS-CXAGYDPISA-N 1 0 376.469 2.083 20 0 GEADRO C[S@](=O)C1(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)CC[NH2+]CC1 ZINC000602458606 653183256 /nfs/dbraw/zinc/18/32/56/653183256.db2.gz NCRJTCOFPLZGCS-LOSJGSFVSA-N 1 0 384.567 2.173 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCSCc2ccnc(Cl)c2)[C@H](C)C1 ZINC000807105633 653184570 /nfs/dbraw/zinc/18/45/70/653184570.db2.gz CDUQVSMVBDVSAK-KGLIPLIRSA-N 1 0 386.949 2.065 20 0 GEADRO C[C@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000602507014 653186718 /nfs/dbraw/zinc/18/67/18/653186718.db2.gz NDJQKPBPTIHJPR-XELLLNAOSA-N 1 0 376.444 2.426 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000773192006 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CC1(C)CN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC[N@@H+]1CCO ZINC000682009376 653203137 /nfs/dbraw/zinc/20/31/37/653203137.db2.gz VORBCXOQKKSKKK-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO CCOC(=O)C(CC)(CC)C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000602736014 653203241 /nfs/dbraw/zinc/20/32/41/653203241.db2.gz UEKXYFUCDQXMGQ-UHFFFAOYSA-N 1 0 376.906 2.447 20 0 GEADRO CN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC000602736378 653203437 /nfs/dbraw/zinc/20/34/37/653203437.db2.gz ZCJLDVRCXHPUBJ-UHFFFAOYSA-N 1 0 378.270 2.457 20 0 GEADRO CC1(C)CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CCO ZINC000682034829 653204292 /nfs/dbraw/zinc/20/42/92/653204292.db2.gz CBJLNXOBZFKGLP-CYBMUJFWSA-N 1 0 377.312 2.122 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000807776731 653204596 /nfs/dbraw/zinc/20/45/96/653204596.db2.gz GKQUINKUBPGUQT-UHFFFAOYSA-N 1 0 396.329 2.182 20 0 GEADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000773535674 653204650 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Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCC2CS(=O)(=O)C2)cc1 ZINC000682498718 653215664 /nfs/dbraw/zinc/21/56/64/653215664.db2.gz OPJKETBADMSTOH-QZTJIDSGSA-N 1 0 385.551 2.104 20 0 GEADRO O=C(CC[NH+]1CCC(Cc2nccs2)CC1)NC(=O)NCC(F)(F)F ZINC000602955812 653217478 /nfs/dbraw/zinc/21/74/78/653217478.db2.gz LIRHVKHYWQQUOG-UHFFFAOYSA-N 1 0 378.420 2.176 20 0 GEADRO COc1ccccc1-c1csc([C@H]2CCC[N@H+](CCS(N)(=O)=O)C2)n1 ZINC000773956167 653219066 /nfs/dbraw/zinc/21/90/66/653219066.db2.gz OLXFHHZGMNKAKC-ZDUSSCGKSA-N 1 0 381.523 2.287 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CN1c2cc(Br)ccc2C(=O)C1=O ZINC000808190481 653221554 /nfs/dbraw/zinc/22/15/54/653221554.db2.gz GDMLDEVPEYABIH-IUODEOHRSA-N 1 0 392.297 2.495 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000770744507 653223670 /nfs/dbraw/zinc/22/36/70/653223670.db2.gz BLHIVSASIDPUFS-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc(Cl)s1)N1CC[NH+](C)CC1 ZINC000682807138 653223839 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C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccnc1Br ZINC000774224381 653229917 /nfs/dbraw/zinc/22/99/17/653229917.db2.gz VRVOYAZTUUEGNM-RYUDHWBXSA-N 1 0 383.290 2.162 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000774270557 653231692 /nfs/dbraw/zinc/23/16/92/653231692.db2.gz LNHOVKQWCNJMKR-ZDUSSCGKSA-N 1 0 395.301 2.035 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnc(Br)cc2C)C1 ZINC000774285505 653232494 /nfs/dbraw/zinc/23/24/94/653232494.db2.gz VYQMLSGMNGHMKH-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO Nc1cnccc1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000641730799 653232672 /nfs/dbraw/zinc/23/26/72/653232672.db2.gz PHYNCYIBQDCYLP-UHFFFAOYSA-N 1 0 380.539 2.232 20 0 GEADRO O[C@H]1CCN(CC[NH2+]Cc2cc(Br)sc2Br)C1 ZINC000641774899 653233472 /nfs/dbraw/zinc/23/34/72/653233472.db2.gz UQLFDRYXTXLKIJ-VIFPVBQESA-N 1 0 384.137 2.429 20 0 GEADRO Brc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)s1 ZINC000641789812 653234322 /nfs/dbraw/zinc/23/43/22/653234322.db2.gz WOCQEIWUXGSQQZ-CQSZACIVSA-N 1 0 388.375 2.397 20 0 GEADRO [NH3+]C/C=C\CNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000641866837 653235530 /nfs/dbraw/zinc/23/55/30/653235530.db2.gz JXOXKIFHFNVASX-BIOMNHJASA-N 1 0 396.207 2.315 20 0 GEADRO CN1CCC2(CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)C1=O ZINC000683675181 653237594 /nfs/dbraw/zinc/23/75/94/653237594.db2.gz UULKNHKQSZNQHP-OAHLLOKOSA-N 1 0 397.313 2.133 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000642105587 653237975 /nfs/dbraw/zinc/23/79/75/653237975.db2.gz JGEQKZWOLKOJNG-BJJXKVORSA-N 1 0 396.329 2.082 20 0 GEADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000642331998 653242476 /nfs/dbraw/zinc/24/24/76/653242476.db2.gz MLGSJOFQHMXLTN-UHFFFAOYSA-N 1 0 385.917 2.377 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000642495761 653247869 /nfs/dbraw/zinc/24/78/69/653247869.db2.gz FODFFPLJJILZIA-LDYMZIIASA-N 1 0 396.207 2.022 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000684018473 653250969 /nfs/dbraw/zinc/25/09/69/653250969.db2.gz NLUWAKSYRWTDRY-UHFFFAOYSA-N 1 0 378.523 2.222 20 0 GEADRO Nc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc(Br)n1 ZINC000874076785 653258113 /nfs/dbraw/zinc/25/81/13/653258113.db2.gz GZLLMAAGABWFKP-UHFFFAOYSA-N 1 0 390.285 2.216 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000684117488 653261631 /nfs/dbraw/zinc/26/16/31/653261631.db2.gz RMGOQUAAILTNSO-ZDUSSCGKSA-N 1 0 394.273 2.393 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cnc1Br ZINC000874096363 653262008 /nfs/dbraw/zinc/26/20/08/653262008.db2.gz GNUJYMQONVBPOF-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000684435113 653265315 /nfs/dbraw/zinc/26/53/15/653265315.db2.gz PUUXXSMJFYNDOB-CQSZACIVSA-N 1 0 395.301 2.246 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000774906387 653267269 /nfs/dbraw/zinc/26/72/69/653267269.db2.gz OLQAWYWDWNZIKN-HNNXBMFYSA-N 1 0 382.917 2.262 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000684530230 653273108 /nfs/dbraw/zinc/27/31/08/653273108.db2.gz OVHPZYNHEVFIKU-XNJGSVPQSA-N 1 0 394.313 2.321 20 0 GEADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2csc(Br)n2)CC1 ZINC000874155467 653273396 /nfs/dbraw/zinc/27/33/96/653273396.db2.gz YRJNIKVHFFTANC-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857008856 653273308 /nfs/dbraw/zinc/27/33/08/653273308.db2.gz LTMKMDROEGWATP-LBPRGKRZSA-N 1 0 387.322 2.416 20 0 GEADRO O=C(NCCSC(F)(F)F)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000774954375 653274285 /nfs/dbraw/zinc/27/42/85/653274285.db2.gz IQOCXSWZUHQKDD-NSHDSACASA-N 1 0 395.472 2.370 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(Br)c1 ZINC000874169742 653277990 /nfs/dbraw/zinc/27/79/90/653277990.db2.gz PPUHSFQNZPWHCE-DOMZBBRYSA-N 1 0 380.286 2.249 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3c(F)cccc3Br)CC[C@@H]21 ZINC000874172213 653278993 /nfs/dbraw/zinc/27/89/93/653278993.db2.gz IRDACIUTCONDEM-MFKMUULPSA-N 1 0 384.249 2.079 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874173297 653279470 /nfs/dbraw/zinc/27/94/70/653279470.db2.gz FFANGULCNPBWAE-FZMZJTMJSA-N 1 0 398.276 2.388 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1Br ZINC000874173435 653279896 /nfs/dbraw/zinc/27/98/96/653279896.db2.gz GYWHKSJBYRNVRG-TZMCWYRMSA-N 1 0 380.286 2.249 20 0 GEADRO O=C(NCCC[NH2+]C1CCCCC1)c1c(Br)nc2n1CCOC2 ZINC000857130345 653287164 /nfs/dbraw/zinc/28/71/64/653287164.db2.gz RTFRZAWRDBNLAO-UHFFFAOYSA-N 1 0 385.306 2.218 20 0 GEADRO C[C@@H]1CN(Cc2nc3ccccn3c2Br)CC[N@@H+]1CC(C)(C)O ZINC000809649638 653287514 /nfs/dbraw/zinc/28/75/14/653287514.db2.gz YNCWSVDZSRICMO-CYBMUJFWSA-N 1 0 381.318 2.374 20 0 GEADRO C[C@H]1CN(Cc2nc3ccccn3c2Br)CC[N@@H+]1CC(C)(C)O ZINC000809649639 653287818 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2.301 20 0 GEADRO COC[C@@]1(C(=O)Nc2cc(Br)cc(OC(C)C)c2)C[NH2+]CCO1 ZINC000876701049 653443082 /nfs/dbraw/zinc/44/30/82/653443082.db2.gz MDMIAWSZARDDMY-MRXNPFEDSA-N 1 0 387.274 2.180 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000812830902 653444452 /nfs/dbraw/zinc/44/44/52/653444452.db2.gz CBBXDOLWNVDRSK-UHFFFAOYSA-N 1 0 392.880 2.040 20 0 GEADRO CON(C)C(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000812885736 653445233 /nfs/dbraw/zinc/44/52/33/653445233.db2.gz SCZDZZNJHRTTMY-LBPRGKRZSA-N 1 0 389.290 2.271 20 0 GEADRO C[NH+](C)C[C@H](N)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000876746999 653445800 /nfs/dbraw/zinc/44/58/00/653445800.db2.gz ZRCIFBRQRNJAOY-AWEZNQCLSA-N 1 0 379.258 2.464 20 0 GEADRO O[C@H](CN1CCC([NH+]2CCOCC2)CC1)c1ccc(F)c(Br)c1 ZINC000859354129 653448525 /nfs/dbraw/zinc/44/85/25/653448525.db2.gz SDVCROATJCRKBP-QGZVFWFLSA-N 1 0 387.293 2.418 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859361263 653450194 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O=C(NC[C@H](O)c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000837596753 653453755 /nfs/dbraw/zinc/45/37/55/653453755.db2.gz PAOKTCMQBVFOHO-IOASZLSFSA-N 1 0 382.302 2.409 20 0 GEADRO Cn1nc(I)cc1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000876915569 653454001 /nfs/dbraw/zinc/45/40/01/653454001.db2.gz VMGYEWWRXIIDGE-LBPRGKRZSA-N 1 0 398.248 2.235 20 0 GEADRO O=S(=O)(Cc1ccccc1C[NH2+]C[C@@H]1CC1(Cl)Cl)N1CCOCC1 ZINC000876928371 653454876 /nfs/dbraw/zinc/45/48/76/653454876.db2.gz BHOHLHWRCMSMAQ-HNNXBMFYSA-N 1 0 393.336 2.132 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1I ZINC000876932646 653455097 /nfs/dbraw/zinc/45/50/97/653455097.db2.gz RRUOGSCBZLAJHG-GHMZBOCLSA-N 1 0 376.242 2.068 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000876933483 653455150 /nfs/dbraw/zinc/45/51/50/653455150.db2.gz QJWXHTBBNOWMRV-HZPDHXFCSA-N 1 0 387.933 2.370 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1I ZINC000876951687 653456160 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Cn1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c(I)n1 ZINC000864051938 653724823 /nfs/dbraw/zinc/72/48/23/653724823.db2.gz WKCKPUWMQBAAIM-STQMWFEESA-N 1 0 375.254 2.462 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc3scnc32)C[C@@H]1[NH+]1CCCC1 ZINC000841515733 653725047 /nfs/dbraw/zinc/72/50/47/653725047.db2.gz NRVMFSCPAODTLO-JSGCOSHPSA-N 1 0 383.564 2.497 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)c2c(C)[nH]nc2I)CC1 ZINC000864062471 653725215 /nfs/dbraw/zinc/72/52/15/653725215.db2.gz QLJAHPOWJRDVGX-UHFFFAOYSA-N 1 0 390.269 2.269 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H]2CC3(CC3)C(=O)O2)nn1)c1ccc(Br)cc1 ZINC000881371722 653728685 /nfs/dbraw/zinc/72/86/85/653728685.db2.gz DVLXWYBOGOIMKH-OCCSQVGLSA-N 1 0 377.242 2.184 20 0 GEADRO [NH3+]C1CCN(CCc2cn(C[C@H](O)c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000881415476 653730100 /nfs/dbraw/zinc/73/01/00/653730100.db2.gz UQYDIUXQTCGQHI-KRWDZBQOSA-N 1 0 384.311 2.284 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H](O)c2ccc(F)c(Br)c2)nn1)[C@H]1CCCO1 ZINC000881417063 653730327 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Cc1nc(SC(F)(F)F)sc1CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000819825845 653758477 /nfs/dbraw/zinc/75/84/77/653758477.db2.gz YCTLMGVVPUSFST-QWRGUYRKSA-N 1 0 395.472 2.273 20 0 GEADRO C[C@H]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@@H]1C[NH3+] ZINC000842485984 653758586 /nfs/dbraw/zinc/75/85/86/653758586.db2.gz RWVOGOQKHOERIV-IUCAKERBSA-N 1 0 382.711 2.103 20 0 GEADRO C[C@H]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@H]1C[NH3+] ZINC000842485982 653758644 /nfs/dbraw/zinc/75/86/44/653758644.db2.gz RWVOGOQKHOERIV-DTWKUNHWSA-N 1 0 382.711 2.103 20 0 GEADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000819837530 653758611 /nfs/dbraw/zinc/75/86/11/653758611.db2.gz NLPWAPKVBNXUGC-JTQLQIEISA-N 1 0 383.461 2.179 20 0 GEADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788529862 653758884 /nfs/dbraw/zinc/75/88/84/653758884.db2.gz VBWGCJXYLPBUJH-UHFFFAOYSA-N 1 0 383.480 2.326 20 0 GEADRO C[NH2+]C[C@@H](C)c1noc(CCn2cnc3ccc(Br)cc3c2=O)n1 ZINC000842575543 653759719 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C[S@@](=O)(=NS(=O)(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000882133016 653764711 /nfs/dbraw/zinc/76/47/11/653764711.db2.gz AYJORWMAZJCKSP-QHCPKHFHSA-N 1 0 377.576 2.126 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]CCNC(=O)Cc1cccc(F)c1 ZINC000865439108 653765370 /nfs/dbraw/zinc/76/53/70/653765370.db2.gz ORAAFTZOMKSUQF-UHFFFAOYSA-N 1 0 396.260 2.440 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c(Cl)cc1Cl ZINC000842738018 653765378 /nfs/dbraw/zinc/76/53/78/653765378.db2.gz XYWRHKROIDGJBG-UHFFFAOYSA-N 1 0 383.297 2.385 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccnc2Br)c1 ZINC000865444992 653765477 /nfs/dbraw/zinc/76/54/77/653765477.db2.gz AHKNGKHQNUWLOO-UHFFFAOYSA-N 1 0 391.313 2.425 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000842745531 653765728 /nfs/dbraw/zinc/76/57/28/653765728.db2.gz JWZITOKXTSGMNB-NSHDSACASA-N 1 0 393.278 2.112 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(Cl)cc1Cl ZINC000842746566 653765784 /nfs/dbraw/zinc/76/57/84/653765784.db2.gz FSRXBANXUJPGTD-JTQLQIEISA-N 1 0 393.292 2.295 20 0 GEADRO COc1ncc(Br)cc1CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000865495156 653766807 /nfs/dbraw/zinc/76/68/07/653766807.db2.gz JSKDPVOPPVCRQA-HZPDHXFCSA-N 1 0 384.318 2.320 20 0 GEADRO Cc1ccc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c(C)c1Br ZINC000865508530 653766932 /nfs/dbraw/zinc/76/69/32/653766932.db2.gz FYKKEJSCHDQLNN-ZDUSSCGKSA-N 1 0 375.332 2.437 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000788972443 653767705 /nfs/dbraw/zinc/76/77/05/653767705.db2.gz VVHGCAUYXHVOSU-LTIDMASMSA-N 1 0 394.313 2.467 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000788972444 653767712 /nfs/dbraw/zinc/76/77/12/653767712.db2.gz VVHGCAUYXHVOSU-LUKYLMHMSA-N 1 0 394.313 2.467 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c1 ZINC000842797494 653768055 /nfs/dbraw/zinc/76/80/55/653768055.db2.gz LMBFDWASQZTYSA-UHFFFAOYSA-N 1 0 375.288 2.006 20 0 GEADRO C[C@H]([NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1(S(C)(=O)=O)CC1 ZINC000865564459 653768679 /nfs/dbraw/zinc/76/86/79/653768679.db2.gz MZQKENYDGTXJNL-QWRGUYRKSA-N 1 0 388.452 2.387 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000865605110 653769875 /nfs/dbraw/zinc/76/98/75/653769875.db2.gz MVVKVMFFGDLAPP-IRXDYDNUSA-N 1 0 394.313 2.227 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(Cl)cc1Cl ZINC000842833702 653770041 /nfs/dbraw/zinc/77/00/41/653770041.db2.gz LZJUJPWJMYPZEN-UFBFGSQYSA-N 1 0 381.281 2.056 20 0 GEADRO CC(C)n1ncc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1I ZINC000865608587 653770074 /nfs/dbraw/zinc/77/00/74/653770074.db2.gz LGHPBFJRGMZQNV-NSHDSACASA-N 1 0 390.269 2.140 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1Cl ZINC000842850724 653770468 /nfs/dbraw/zinc/77/04/68/653770468.db2.gz YLYOLGNVEJUKPO-OAHLLOKOSA-N 1 0 392.930 2.261 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000842859685 653770836 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20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Br)nc1OC ZINC000789374850 653772977 /nfs/dbraw/zinc/77/29/77/653772977.db2.gz YUERGOKRZQBBMV-LLVKDONJSA-N 1 0 389.294 2.331 20 0 GEADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@H](O)[C@@H](C)O)cc1Br ZINC000865738118 653773448 /nfs/dbraw/zinc/77/34/48/653773448.db2.gz JDNRKRPWIKIROC-FCHSOHFDSA-N 1 0 380.254 2.101 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842916691 653773542 /nfs/dbraw/zinc/77/35/42/653773542.db2.gz ZHBCHGQXKFTJBH-HTQZYQBOSA-N 1 0 395.710 2.154 20 0 GEADRO CCOc1cc(C[NH2+]C[C@H](O)[C@H](C)O)cc(Br)c1OC(F)F ZINC000865740640 653773566 /nfs/dbraw/zinc/77/35/66/653773566.db2.gz JUAZEQJSONSVML-KWQFWETISA-N 1 0 384.217 2.281 20 0 GEADRO C[C@H](O)[C@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000865740248 653773588 /nfs/dbraw/zinc/77/35/88/653773588.db2.gz FJYDTOQXFVXFQL-BLLLJJGKSA-N 1 0 381.270 2.254 20 0 GEADRO O=C1OC[C@]2(C[NH2+]CC3=Cc4cc(Br)ccc4OC3)COCCN12 ZINC000865770540 653774328 /nfs/dbraw/zinc/77/43/28/653774328.db2.gz SDQZYTHEDPVYNO-KRWDZBQOSA-N 1 0 395.253 2.036 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@@H]3CCc4cccc(Br)c4C3)COCCN12 ZINC000865769787 653774330 /nfs/dbraw/zinc/77/43/30/653774330.db2.gz DJQKMFIQOKXDNW-DYVFJYSZSA-N 1 0 381.270 2.117 20 0 GEADRO O=C1OC[C@@]2(C[NH2+]Cc3cc(Cl)ccc3Br)COCCN12 ZINC000865771075 653774390 /nfs/dbraw/zinc/77/43/90/653774390.db2.gz XCDIWUODWHGEJO-CQSZACIVSA-N 1 0 375.650 2.413 20 0 GEADRO COC[C@@H](CN1CCO[C@@H](C)C1)OC(=O)COc1ccc(Cl)c(F)c1 ZINC000842968196 653775475 /nfs/dbraw/zinc/77/54/75/653775475.db2.gz UTQRRNOKJQUFDV-GXTWGEPZSA-N 1 0 375.824 2.137 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2csc(Br)n2)C1 ZINC000820521933 653775985 /nfs/dbraw/zinc/77/59/85/653775985.db2.gz YDBXJAQHHWOJPB-NSHDSACASA-N 1 0 376.320 2.479 20 0 GEADRO C[N@@H+]1CCn2nc(NCc3cn(-c4ccccc4Br)nn3)cc2C1 ZINC000865844767 653777018 /nfs/dbraw/zinc/77/70/18/653777018.db2.gz IWADATWKFBORDJ-UHFFFAOYSA-N 1 0 388.273 2.284 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000865868450 653778004 /nfs/dbraw/zinc/77/80/04/653778004.db2.gz JUJIGBZWJLWOII-GMSGAONNSA-N 1 0 389.159 2.224 20 0 GEADRO C[C@](O)(CNC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000843061684 653778264 /nfs/dbraw/zinc/77/82/64/653778264.db2.gz HFGSOBRVRZPHIR-PBHICJAKSA-N 1 0 389.309 2.232 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865876536 653778455 /nfs/dbraw/zinc/77/84/55/653778455.db2.gz QFQVTPFCYCBQFG-GDBMZVCRSA-N 1 0 389.949 2.235 20 0 GEADRO OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843065343 653778478 /nfs/dbraw/zinc/77/84/78/653778478.db2.gz KYFXQISNHJPYIK-NVXWUHKLSA-N 1 0 380.286 2.339 20 0 GEADRO C[C@@](O)(CNC[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000843063230 653778499 /nfs/dbraw/zinc/77/84/99/653778499.db2.gz XSWNIWBAZJAAAO-XJKSGUPXSA-N 1 0 391.737 2.356 20 0 GEADRO C[C@](O)(C[NH2+]C[C@H](O)COCC1CC1)c1ccc(Br)cc1F ZINC000843068947 653778612 /nfs/dbraw/zinc/77/86/12/653778612.db2.gz PQLLBGLLBFIBNT-BBRMVZONSA-N 1 0 376.266 2.173 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C1 ZINC000882384280 653779274 /nfs/dbraw/zinc/77/92/74/653779274.db2.gz OYCSFLFHIGEWTD-LFVRLGFBSA-N 1 0 379.592 2.372 20 0 GEADRO C[C@H]1C[C@@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000820656112 653779603 /nfs/dbraw/zinc/77/96/03/653779603.db2.gz DCMHBPCISVVLSD-GXSJLCMTSA-N 1 0 377.905 2.432 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000843111725 653779841 /nfs/dbraw/zinc/77/98/41/653779841.db2.gz NRKRDFMBWCFHLQ-CABCVRRESA-N 1 0 376.856 2.378 20 0 GEADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@@H]1O)COc1ccc(Br)cc1 ZINC000843117842 653780011 /nfs/dbraw/zinc/78/00/11/653780011.db2.gz UNLVFGQMIPNYHF-SKDZVZGDSA-N 1 0 394.265 2.273 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1nc2ccc(Br)cc2s1 ZINC000843122830 653780315 /nfs/dbraw/zinc/78/03/15/653780315.db2.gz FKBSTTGYCZPRLI-LBPRGKRZSA-N 1 0 384.299 2.396 20 0 GEADRO Cc1sc2[nH]c(Cc3noc(C[C@@H]4CSCC[NH2+]4)n3)nc(=O)c2c1C ZINC000843195715 653780889 /nfs/dbraw/zinc/78/08/89/653780889.db2.gz AGLNKPPTEWLIJC-SNVBAGLBSA-N 1 0 377.495 2.235 20 0 GEADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000882432475 653781479 /nfs/dbraw/zinc/78/14/79/653781479.db2.gz SSZDDNUHUIFIIE-VXGBXAGGSA-N 1 0 382.452 2.180 20 0 GEADRO CC(C)n1ncc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000865959990 653781557 /nfs/dbraw/zinc/78/15/57/653781557.db2.gz QQFDPLMUBPOAFH-ZDUSSCGKSA-N 1 0 399.333 2.457 20 0 GEADRO CC(C)(C[NH3+])c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000843225093 653781927 /nfs/dbraw/zinc/78/19/27/653781927.db2.gz XHCADKFXCIUEPZ-UHFFFAOYSA-N 1 0 383.193 2.225 20 0 GEADRO CC(C)n1ncc(C(=O)N(C)CCCC[NH+](C)C)c1I ZINC000865977064 653782001 /nfs/dbraw/zinc/78/20/01/653782001.db2.gz XJNZNDFHMQHDDJ-UHFFFAOYSA-N 1 0 392.285 2.482 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843261750 653782289 /nfs/dbraw/zinc/78/22/89/653782289.db2.gz GTRBDWHLEYLNGH-UHFFFAOYSA-N 1 0 376.320 2.104 20 0 GEADRO COC(=O)[C@H]1CN(c2ccc([S@](=N)(=O)C(F)(F)F)cc2)CC[N@H+](C)C1 ZINC000882450982 653782600 /nfs/dbraw/zinc/78/26/00/653782600.db2.gz BCROCSXODKJSBE-NDHGSNPTSA-N 1 0 379.404 2.153 20 0 GEADRO CCC1([NH+](C)C)CCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000882476623 653783904 /nfs/dbraw/zinc/78/39/04/653783904.db2.gz JYKDBDDYJBJNPP-QHCPKHFHSA-N 1 0 379.592 2.468 20 0 GEADRO CCC1([NH+](C)C)CCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000882476622 653783953 /nfs/dbraw/zinc/78/39/53/653783953.db2.gz JYKDBDDYJBJNPP-HSZRJFAPSA-N 1 0 379.592 2.468 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)ccc1Br ZINC000790006946 653784233 /nfs/dbraw/zinc/78/42/33/653784233.db2.gz DWIYIUBRBCGBNA-HUUCEWRRSA-N 1 0 389.315 2.413 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000843398868 653786069 /nfs/dbraw/zinc/78/60/69/653786069.db2.gz IYOUABPECGJQNL-HZPDHXFCSA-N 1 0 383.286 2.118 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccncc1)c1ncc(I)cn1 ZINC000882520443 653786624 /nfs/dbraw/zinc/78/66/24/653786624.db2.gz KUUMBRXVHJESGV-UHFFFAOYSA-N 1 0 397.264 2.435 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc(Cl)n1 ZINC000843444425 653786994 /nfs/dbraw/zinc/78/69/94/653786994.db2.gz SITKNTYHQHMXBT-KFWWJZLASA-N 1 0 387.933 2.248 20 0 GEADRO C[NH+](C)C1(C)CCC(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000866148441 653787170 /nfs/dbraw/zinc/78/71/70/653787170.db2.gz AZGKZTLKOIMKRH-UHFFFAOYSA-N 1 0 388.555 2.168 20 0 GEADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000843451000 653787226 /nfs/dbraw/zinc/78/72/26/653787226.db2.gz FBEWQXDRDZMISW-FGWVZKOKSA-N 1 0 394.269 2.264 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000843471835 653787753 /nfs/dbraw/zinc/78/77/53/653787753.db2.gz DAQYUGJLTFSZKO-NWDGAFQWSA-N 1 0 387.933 2.239 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)/C=C/c1ccc(C)cc1Br ZINC000843476890 653787909 /nfs/dbraw/zinc/78/79/09/653787909.db2.gz HPCQYLNRLPNHTC-LFAOLKIESA-N 1 0 381.270 2.134 20 0 GEADRO O=C(/C=C\c1ccc(I)o1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843478245 653787972 /nfs/dbraw/zinc/78/79/72/653787972.db2.gz WFPOFFGFHTVNJX-UYWPIULCSA-N 1 0 386.233 2.500 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(=O)n(C)cc1Br ZINC000820984644 653788129 /nfs/dbraw/zinc/78/81/29/653788129.db2.gz GQSFHFMYAGLYRY-ZDUSSCGKSA-N 1 0 384.318 2.388 20 0 GEADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)COC1(C)C[NH2+]C1 ZINC000843493837 653788278 /nfs/dbraw/zinc/78/82/78/653788278.db2.gz XPBIYOOBMBUOBU-UHFFFAOYSA-N 1 0 386.246 2.335 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000866194953 653788451 /nfs/dbraw/zinc/78/84/51/653788451.db2.gz ZWOPZDASYQZBED-PBHICJAKSA-N 1 0 396.329 2.427 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1Cl ZINC000843502762 653788513 /nfs/dbraw/zinc/78/85/13/653788513.db2.gz FSNYYGFWYNJZNO-NWDGAFQWSA-N 1 0 375.922 2.226 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000843506184 653788689 /nfs/dbraw/zinc/78/86/89/653788689.db2.gz YFZNOJCKNIANFU-NEPJUHHUSA-N 1 0 375.922 2.225 20 0 GEADRO [NH3+]CCCCCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000843510167 653788815 /nfs/dbraw/zinc/78/88/15/653788815.db2.gz ZEBUSYVZFHNXLS-ZDUSSCGKSA-N 1 0 382.302 2.437 20 0 GEADRO [NH3+]CCCCCCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000843509360 653788916 /nfs/dbraw/zinc/78/89/16/653788916.db2.gz KDNXYKMBBPEJCL-ZDUSSCGKSA-N 1 0 382.302 2.437 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(F)cc(Br)c1F ZINC000821052363 653789555 /nfs/dbraw/zinc/78/95/55/653789555.db2.gz LPEXBMBVWHKQQU-LLVKDONJSA-N 1 0 377.229 2.304 20 0 GEADRO COC(=O)c1csc(-c2cccc(CNC(=S)NCC[NH+](C)C)c2)n1 ZINC000790341393 653789630 /nfs/dbraw/zinc/78/96/30/653789630.db2.gz GVLXUKAAHVBUKK-UHFFFAOYSA-N 1 0 378.523 2.122 20 0 GEADRO COC(=O)c1c2cnn(CN3CC[C@H](C[NH+](C)C)C3)c2ccc1Br ZINC000790444617 653792070 /nfs/dbraw/zinc/79/20/70/653792070.db2.gz AWEJLJDINYZCTQ-GFCCVEGCSA-N 1 0 395.301 2.426 20 0 GEADRO Brc1nnc2ccc(N3C[C@@H]4C[C@H]3C[N@@H+]4Cc3ccccc3)nn12 ZINC000882685442 653798124 /nfs/dbraw/zinc/79/81/24/653798124.db2.gz PIPFHVJYNAVWRT-KBPBESRZSA-N 1 0 385.269 2.350 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000790834003 653798192 /nfs/dbraw/zinc/79/81/92/653798192.db2.gz INVOJBIHYNKPFI-FMKPAKJESA-N 1 0 377.360 2.238 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(c3cnn(CC(F)(F)F)c(=O)c3Br)CC[C@@H]21 ZINC000882699109 653798693 /nfs/dbraw/zinc/79/86/93/653798693.db2.gz NHFNGEWZDLUQBZ-ZJUUUORDSA-N 1 0 395.223 2.099 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866506688 653799678 /nfs/dbraw/zinc/79/96/78/653799678.db2.gz PEVGFJZJVTXTAJ-VXGBXAGGSA-N 1 0 382.452 2.085 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(Br)c1 ZINC000866539732 653801341 /nfs/dbraw/zinc/80/13/41/653801341.db2.gz FIMHKZRPGBTVNK-NVGVWMPQSA-N 1 0 394.313 2.225 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(Br)c1 ZINC000866539730 653801372 /nfs/dbraw/zinc/80/13/72/653801372.db2.gz FIMHKZRPGBTVNK-JECHBYEQSA-N 1 0 394.313 2.225 20 0 GEADRO CC(C)(C[NH2+][C@H](c1nc(Br)cs1)C1CC1)CS(N)(=O)=O ZINC000866571215 653802587 /nfs/dbraw/zinc/80/25/87/653802587.db2.gz AUZAVHHZGKFLSU-JTQLQIEISA-N 1 0 382.349 2.261 20 0 GEADRO CN(C(=O)Cc1csc(NC(=O)Cc2cccs2)n1)C1(C[NH3+])CCC1 ZINC000844198095 653803284 /nfs/dbraw/zinc/80/32/84/653803284.db2.gz XXNOFPHDCZZSBR-UHFFFAOYSA-N 1 0 378.523 2.268 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866579845 653803518 /nfs/dbraw/zinc/80/35/18/653803518.db2.gz ZMTDKJQQCAFRAM-IJLUTSLNSA-N 1 0 391.335 2.198 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc(C(=O)OC)cs2)cc1 ZINC000866579899 653803520 /nfs/dbraw/zinc/80/35/20/653803520.db2.gz UQVUMNWRFRBXIP-GFCCVEGCSA-N 1 0 382.507 2.336 20 0 GEADRO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844278344 653804229 /nfs/dbraw/zinc/80/42/29/653804229.db2.gz OVDZODUZJZABNK-KGLIPLIRSA-N 1 0 386.279 2.428 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000866596709 653805314 /nfs/dbraw/zinc/80/53/14/653805314.db2.gz IOHWESUTNILYPB-LLVKDONJSA-N 1 0 389.315 2.114 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866597782 653805399 /nfs/dbraw/zinc/80/53/99/653805399.db2.gz GCBXJOMCVLUACX-UHFFFAOYSA-N 1 0 387.571 2.241 20 0 GEADRO C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@]1(O)CCc2ccccc21 ZINC000844346049 653805443 /nfs/dbraw/zinc/80/54/43/653805443.db2.gz GFDULKCKFVCBPL-GOSISDBHSA-N 1 0 380.897 2.253 20 0 GEADRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000844379911 653805672 /nfs/dbraw/zinc/80/56/72/653805672.db2.gz RJGFUGMMKWXLPL-DGCLKSJQSA-N 1 0 378.441 2.008 20 0 GEADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000882767316 653805758 /nfs/dbraw/zinc/80/57/58/653805758.db2.gz JMBASVIHUPNEJC-DEOSSOPVSA-N 1 0 389.518 2.087 20 0 GEADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000882767695 653805847 /nfs/dbraw/zinc/80/58/47/653805847.db2.gz YGPVTPYYLDAVHK-QHCPKHFHSA-N 1 0 377.576 2.222 20 0 GEADRO CC(C)n1ncc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1Br ZINC000866615974 653806017 /nfs/dbraw/zinc/80/60/17/653806017.db2.gz YCOTYIWOEWKOSK-UHFFFAOYSA-N 1 0 387.322 2.192 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000866629512 653806836 /nfs/dbraw/zinc/80/68/36/653806836.db2.gz HVXNKRPVVZYXBC-BIMULSAOSA-N 1 0 375.254 2.318 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C[C@@H]1COC(=O)C1)c1ccc(Br)cn1 ZINC000844508525 653807658 /nfs/dbraw/zinc/80/76/58/653807658.db2.gz FTRUPSZRWXLVBK-ZDUSSCGKSA-N 1 0 398.301 2.472 20 0 GEADRO COc1ccc(Cl)c(N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)c1 ZINC000844568366 653809319 /nfs/dbraw/zinc/80/93/19/653809319.db2.gz YINBFPQFMHWEAT-UHFFFAOYSA-N 1 0 382.961 2.439 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@@H](C)C[N@@H+]1C ZINC000844641029 653810790 /nfs/dbraw/zinc/81/07/90/653810790.db2.gz NHSQFVBXQPBIAG-XQQFMLRXSA-N 1 0 387.933 2.143 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC000844653710 653811527 /nfs/dbraw/zinc/81/15/27/653811527.db2.gz DFWVDICOQMUFGJ-UHFFFAOYSA-N 1 0 376.469 2.320 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@H](c2cccc(Cl)c2)C(F)F)CC1 ZINC000882818272 653811714 /nfs/dbraw/zinc/81/17/14/653811714.db2.gz INTOVXBXPSUSQX-OAHLLOKOSA-N 1 0 395.903 2.203 20 0 GEADRO Cc1nn(C)c(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1Br ZINC000895001001 653811958 /nfs/dbraw/zinc/81/19/58/653811958.db2.gz ODMGGIMMGNLGIF-QGZVFWFLSA-N 1 0 377.286 2.120 20 0 GEADRO CC(C)[C@H](C[NH2+][C@H](C)C1CCS(=O)(=O)CC1)ONC(=O)OC(C)(C)C ZINC000895030178 653813495 /nfs/dbraw/zinc/81/34/95/653813495.db2.gz LLMMBGYNAKEJST-HIFRSBDPSA-N 1 0 378.535 2.270 20 0 GEADRO C[C@H](c1cccc(Br)c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711165 653813828 /nfs/dbraw/zinc/81/38/28/653813828.db2.gz DFQKZUUTYKRPFO-CAPXZKIUSA-N 1 0 380.286 2.377 20 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O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)cn2ccnc12 ZINC000866783714 653825507 /nfs/dbraw/zinc/82/55/07/653825507.db2.gz SPVPSUSRJFEZRJ-AWEZNQCLSA-N 1 0 395.301 2.064 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)cc1Cl ZINC000866784947 653825786 /nfs/dbraw/zinc/82/57/86/653825786.db2.gz LEUNBNOMZJHHNM-NSHDSACASA-N 1 0 391.896 2.494 20 0 GEADRO COc1cc(I)c(C(=O)OCCC[NH+](C)C)cc1OC ZINC000791825816 653826059 /nfs/dbraw/zinc/82/60/59/653826059.db2.gz MUFNNPNBZAISFB-UHFFFAOYSA-N 1 0 393.221 2.417 20 0 GEADRO C[C@@]1(Br)C[C@H]1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000895320423 653827400 /nfs/dbraw/zinc/82/74/00/653827400.db2.gz VSYUMEQXNRKNOL-TVQRCGJNSA-N 1 0 391.107 2.337 20 0 GEADRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000895323618 653827440 /nfs/dbraw/zinc/82/74/40/653827440.db2.gz MVIPDZLSPBJSPI-LLVKDONJSA-N 1 0 391.107 2.408 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000895323216 653827555 /nfs/dbraw/zinc/82/75/55/653827555.db2.gz 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ZINC000822686508 653836550 /nfs/dbraw/zinc/83/65/50/653836550.db2.gz UMTPPQNESTZOGM-CQSZACIVSA-N 1 0 390.322 2.447 20 0 GEADRO CCn1c(CN[C@H]2C[C@H](C(=O)OC)C2)nc(Br)c1Br ZINC000895466987 653836953 /nfs/dbraw/zinc/83/69/53/653836953.db2.gz ZPTQKSPLADYBEH-ZKCHVHJHSA-N 1 0 395.095 2.469 20 0 GEADRO C[C@H](CNC(=O)c1csc(I)n1)C[NH+]1CCCC1 ZINC000822693371 653836935 /nfs/dbraw/zinc/83/69/35/653836935.db2.gz UZVHLKSEZBAMSP-SECBINFHSA-N 1 0 379.267 2.209 20 0 GEADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866847104 653837215 /nfs/dbraw/zinc/83/72/15/653837215.db2.gz HFFZWQHQFIZXBR-UHFFFAOYSA-N 1 0 378.897 2.088 20 0 GEADRO CC(=O)N1CCC([NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000883378018 653838001 /nfs/dbraw/zinc/83/80/01/653838001.db2.gz XYTRSAYZRIKELQ-INIZCTEOSA-N 1 0 380.286 2.303 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000792222867 653838251 /nfs/dbraw/zinc/83/82/51/653838251.db2.gz CNOJSMHCZPFJNM-DOTOQJQBSA-N 1 0 395.297 2.122 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCCc2sccc2Br)CCOCC1 ZINC000883410782 653839131 /nfs/dbraw/zinc/83/91/31/653839131.db2.gz IZNQUHJACHXJEO-UHFFFAOYSA-N 1 0 390.347 2.463 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423895 653839501 /nfs/dbraw/zinc/83/95/01/653839501.db2.gz YIGBIFTXSQTWHQ-KBPBESRZSA-N 1 0 385.281 2.195 20 0 GEADRO [NH3+]CCCN(Cc1cc(=O)n2cc(Br)ccc2n1)CC(F)(F)F ZINC000883443113 653839860 /nfs/dbraw/zinc/83/98/60/653839860.db2.gz BHEADGBDMWGTPH-UHFFFAOYSA-N 1 0 393.207 2.170 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cccnc2Br)CC1 ZINC000895551319 653840617 /nfs/dbraw/zinc/84/06/17/653840617.db2.gz JGKWCQZJCIJNDJ-UHFFFAOYSA-N 1 0 381.318 2.150 20 0 GEADRO Nc1nc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)nc(C(F)(F)C(F)(F)F)n1 ZINC000895565736 653840929 /nfs/dbraw/zinc/84/09/29/653840929.db2.gz XFNNIPDIUWHDPS-SFYZADRCSA-N 1 0 384.378 2.100 20 0 GEADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(N)nc(Br)c2)cc1 ZINC000822803804 653841071 /nfs/dbraw/zinc/84/10/71/653841071.db2.gz MQXXFPKKKBMPLV-AWEZNQCLSA-N 1 0 393.285 2.468 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000883472297 653841238 /nfs/dbraw/zinc/84/12/38/653841238.db2.gz YIKNVLPTZKPKOR-UHFFFAOYSA-N 1 0 375.210 2.102 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1cccc(Br)c1F ZINC000883471442 653841325 /nfs/dbraw/zinc/84/13/25/653841325.db2.gz LLLVLYMERSLQIV-UHFFFAOYSA-N 1 0 379.173 2.100 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000883471191 653841332 /nfs/dbraw/zinc/84/13/32/653841332.db2.gz ZPHZZSYCAUCMEB-UHFFFAOYSA-N 1 0 380.310 2.329 20 0 GEADRO CC(C)Oc1cc(Cl)ccc1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000883473011 653841751 /nfs/dbraw/zinc/84/17/51/653841751.db2.gz OUQHHYZIJMFIIR-UHFFFAOYSA-N 1 0 375.922 2.145 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cc(Cl)cnc1Cl)C2 ZINC000883481111 653842758 /nfs/dbraw/zinc/84/27/58/653842758.db2.gz XRMFYHICPWGLDY-UHFFFAOYSA-N 1 0 379.294 2.051 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1 ZINC000883483563 653843118 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C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883592899 653846453 /nfs/dbraw/zinc/84/64/53/653846453.db2.gz WULGGEUKEZLNCT-ZJUUUORDSA-N 1 0 397.273 2.371 20 0 GEADRO C[C@H]1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C[C@@H]1C[NH3+] ZINC000883593453 653846717 /nfs/dbraw/zinc/84/67/17/653846717.db2.gz JRHHAPKZQKFMQL-UWVGGRQHSA-N 1 0 397.273 2.229 20 0 GEADRO Brc1cc(Cc2noc([C@H]3C[NH2+]CCO3)n2)cc2c1OCCCO2 ZINC000822946318 653846852 /nfs/dbraw/zinc/84/68/52/653846852.db2.gz CBCGKFQUHHFJDJ-CYBMUJFWSA-N 1 0 396.241 2.245 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)s1 ZINC000822952051 653847211 /nfs/dbraw/zinc/84/72/11/653847211.db2.gz LGHQLUSPUVJUOT-UHFFFAOYSA-N 1 0 390.937 2.208 20 0 GEADRO CSc1cc(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)ccc1C ZINC000883622974 653848379 /nfs/dbraw/zinc/84/83/79/653848379.db2.gz GBZCLEHXQBKMIG-UHFFFAOYSA-N 1 0 376.507 2.156 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000883627132 653848424 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C[C@@]1(CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1(Cl)Cl ZINC000883675184 653850485 /nfs/dbraw/zinc/85/04/85/653850485.db2.gz CMWCCCNDCBQHSD-HNNXBMFYSA-N 1 0 391.343 2.086 20 0 GEADRO CN1CC[C@@H]([NH2+]CCN2CCNC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000895814586 653851366 /nfs/dbraw/zinc/85/13/66/653851366.db2.gz QAAYSQBXGKGWPQ-CVEARBPZSA-N 1 0 381.318 2.199 20 0 GEADRO COC[C@]1(c2nc(CC(=O)Nc3cc(Cl)cc(Cl)c3)no2)CC[NH2+]C1 ZINC000823042553 653851361 /nfs/dbraw/zinc/85/13/61/653851361.db2.gz HVMQLOUNEKHZLQ-INIZCTEOSA-N 1 0 385.251 2.435 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000895853153 653852729 /nfs/dbraw/zinc/85/27/29/653852729.db2.gz DLVBZPSETXUJPQ-VHSXEESVSA-N 1 0 390.269 2.173 20 0 GEADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895855793 653852753 /nfs/dbraw/zinc/85/27/53/653852753.db2.gz RWZNHDBDYWEBSS-UKRRQHHQSA-N 1 0 381.270 2.110 20 0 GEADRO Clc1nc2sccn2c1-c1noc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000823079332 653852820 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Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)nc1Br ZINC000792969462 653858115 /nfs/dbraw/zinc/85/81/15/653858115.db2.gz PGHSZIVZBSODPZ-DGCLKSJQSA-N 1 0 397.317 2.328 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000792983259 653859124 /nfs/dbraw/zinc/85/91/24/653859124.db2.gz RVDICIZSXNJUTD-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895981779 653859802 /nfs/dbraw/zinc/85/98/02/653859802.db2.gz JOXOKYFYWVIZDC-MFKMUULPSA-N 1 0 389.315 2.331 20 0 GEADRO O=C(CNC(=O)NCCC[C@H]1CC1(Cl)Cl)NCC[NH+]1CCCCCC1 ZINC000845683887 653859734 /nfs/dbraw/zinc/85/97/34/653859734.db2.gz WRESHICIVZECTQ-AWEZNQCLSA-N 1 0 393.359 2.252 20 0 GEADRO [NH3+]C1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 ZINC000884004576 653859996 /nfs/dbraw/zinc/85/99/96/653859996.db2.gz DFWYQNBCSHCGOD-UHFFFAOYSA-N 1 0 384.665 2.247 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895993685 653860005 /nfs/dbraw/zinc/86/00/05/653860005.db2.gz ZOLKDHBRPPNINO-UHFFFAOYSA-N 1 0 383.286 2.185 20 0 GEADRO CC[NH2+]Cc1ccccc1NC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000884014496 653860412 /nfs/dbraw/zinc/86/04/12/653860412.db2.gz NWJTXQKOQLIBKO-NSHDSACASA-N 1 0 378.523 2.400 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3C(=O)Nc4c3cccc4Br)[C@@H]2C1 ZINC000823276217 653860581 /nfs/dbraw/zinc/86/05/81/653860581.db2.gz MUWNRZUSEFDWIS-CORIIIEPSA-N 1 0 392.297 2.428 20 0 GEADRO O=C(NCC[NH2+]C1CC1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884024063 653860719 /nfs/dbraw/zinc/86/07/19/653860719.db2.gz FXFRSIBBBGBDSP-UHFFFAOYSA-N 1 0 384.665 2.165 20 0 GEADRO C[C@H](Sc1nc(CC(=O)NCC[NH2+]C2CCCCCC2)cs1)C(N)=O ZINC000884036809 653860963 /nfs/dbraw/zinc/86/09/63/653860963.db2.gz HUBPVDDIFXGPIT-LBPRGKRZSA-N 1 0 384.571 2.080 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000884035095 653861061 /nfs/dbraw/zinc/86/10/61/653861061.db2.gz RSCFHYOIPCTIFU-WBIUFABUSA-N 1 0 381.270 2.116 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884054582 653861678 /nfs/dbraw/zinc/86/16/78/653861678.db2.gz JVZUWJDTMVFJDG-CYBMUJFWSA-N 1 0 382.302 2.400 20 0 GEADRO Brc1cnc(-c2nc(N3CC[NH2+]CC3)no2)c(Br)c1 ZINC000823304249 653861978 /nfs/dbraw/zinc/86/19/78/653861978.db2.gz OAAHEXFCOWBIMF-UHFFFAOYSA-N 1 0 389.051 2.066 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)nc1Br ZINC000793010753 653862046 /nfs/dbraw/zinc/86/20/46/653862046.db2.gz QBANSGZXURHZHU-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000896048156 653862096 /nfs/dbraw/zinc/86/20/96/653862096.db2.gz BOPHQMFUAVWENP-RHSMWYFYSA-N 1 0 395.297 2.070 20 0 GEADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2cccc(Br)n2)CCCC1 ZINC000793019682 653862973 /nfs/dbraw/zinc/86/29/73/653862973.db2.gz AMHCWKXLEPTDDM-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO [NH3+][C@@H](C(=O)NCCC(=O)NC1CCCCC1)c1ccc(Br)cc1 ZINC000884097537 653863585 /nfs/dbraw/zinc/86/35/85/653863585.db2.gz IGFUWMNYNYKOKS-MRXNPFEDSA-N 1 0 382.302 2.404 20 0 GEADRO CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884113939 653864241 /nfs/dbraw/zinc/86/42/41/653864241.db2.gz DHLJXDLHHGQMTD-CZUORRHYSA-N 1 0 396.329 2.460 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@@H](N2CCCCC2=O)C1)c1ccc(Br)cc1 ZINC000884129921 653864822 /nfs/dbraw/zinc/86/48/22/653864822.db2.gz TWQHYBVQQHCVPY-WBVHZDCISA-N 1 0 394.313 2.452 20 0 GEADRO C[NH+](C)CCc1ccc(NC(=O)c2c[nH]nc2I)cc1 ZINC000896139725 653866199 /nfs/dbraw/zinc/86/61/99/653866199.db2.gz JCYKQTWNJNUZQO-UHFFFAOYSA-N 1 0 384.221 2.371 20 0 GEADRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000884162200 653866329 /nfs/dbraw/zinc/86/63/29/653866329.db2.gz YRNXCUOBRRKNMH-DOMZBBRYSA-N 1 0 387.318 2.315 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1 ZINC000884177048 653866800 /nfs/dbraw/zinc/86/68/00/653866800.db2.gz YXEQGVMZNVRIJJ-MRXNPFEDSA-N 1 0 375.270 2.193 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884202937 653867925 /nfs/dbraw/zinc/86/79/25/653867925.db2.gz LQNDRGGOUGAUIV-NWDGAFQWSA-N 1 0 380.208 2.202 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]([NH3+])CCOC)CC1 ZINC000884212538 653868125 /nfs/dbraw/zinc/86/81/25/653868125.db2.gz ICOIOQXTDWVOPF-IAGOWNOFSA-N 1 0 398.345 2.408 20 0 GEADRO C[C@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H]1CC1(F)F ZINC000896201998 653868609 /nfs/dbraw/zinc/86/86/09/653868609.db2.gz CLZRBQIUAJIYFI-AVGNSLFASA-N 1 0 382.473 2.044 20 0 GEADRO [NH3+][C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(Br)cc1 ZINC000884243735 653868919 /nfs/dbraw/zinc/86/89/19/653868919.db2.gz NWAJSFYZSKEPGA-BBRMVZONSA-N 1 0 375.270 2.299 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(Br)cc2=O)[C@H]1c1ccccc1 ZINC000867029346 653868885 /nfs/dbraw/zinc/86/88/85/653868885.db2.gz BKRMRLFYVOEPJL-CRAIPNDOSA-N 1 0 390.281 2.172 20 0 GEADRO CC1(CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC[NH2+]CC1 ZINC000884247360 653869272 /nfs/dbraw/zinc/86/92/72/653869272.db2.gz RHXIQEDLWDGQDV-AWEZNQCLSA-N 1 0 381.270 2.037 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2nn3c(c2Br)CCC3)C[C@H]1c1ccccc1 ZINC000884279576 653870254 /nfs/dbraw/zinc/87/02/54/653870254.db2.gz OMKOURKQULUYQL-QWHCGFSZSA-N 1 0 375.270 2.159 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884287261 653870538 /nfs/dbraw/zinc/87/05/38/653870538.db2.gz XBBDODUNMBEVJZ-DZGCQCFKSA-N 1 0 381.270 2.261 20 0 GEADRO COC[C@H](NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)c1cccc(Br)c1 ZINC000896250743 653870575 /nfs/dbraw/zinc/87/05/75/653870575.db2.gz SDIZLTFERFWAJK-BPUTZDHNSA-N 1 0 382.302 2.482 20 0 GEADRO O=C(CCCc1ccc(Br)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000884285328 653870665 /nfs/dbraw/zinc/87/06/65/653870665.db2.gz GITWIRJBHAFTPY-KRWDZBQOSA-N 1 0 380.330 2.278 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884287263 653870744 /nfs/dbraw/zinc/87/07/44/653870744.db2.gz XBBDODUNMBEVJZ-UKRRQHHQSA-N 1 0 381.270 2.261 20 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CC[NH+](CC)CC1CCN(C(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000846240461 653893069 /nfs/dbraw/zinc/89/30/69/653893069.db2.gz AHNSIGQLXXTLAT-ZWKOTPCHSA-N 1 0 375.916 2.388 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846248532 653893471 /nfs/dbraw/zinc/89/34/71/653893471.db2.gz XBYHCPGGRPFHRD-ROUUACIJSA-N 1 0 375.916 2.388 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846265937 653893858 /nfs/dbraw/zinc/89/38/58/653893858.db2.gz AKNXRYHEXWLBOW-ROUUACIJSA-N 1 0 375.916 2.388 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2nn3c(c2Br)CCC3)C1 ZINC000896792157 653895098 /nfs/dbraw/zinc/89/50/98/653895098.db2.gz YRSHRYMCGBOKDJ-ZDUSSCGKSA-N 1 0 381.318 2.396 20 0 GEADRO CCOC(=O)c1ncc(C[NH2+]CCc2ccccc2S(=O)(=O)CC)s1 ZINC000896816415 653895765 /nfs/dbraw/zinc/89/57/65/653895765.db2.gz QJBZIDASSFFTRT-UHFFFAOYSA-N 1 0 382.507 2.446 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884952205 653897496 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C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884977545 653902762 /nfs/dbraw/zinc/90/27/62/653902762.db2.gz WMQGSQDHVZGOND-GXSJLCMTSA-N 1 0 377.794 2.171 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824678190 653905023 /nfs/dbraw/zinc/90/50/23/653905023.db2.gz OUQQFRLZXUKDAK-KKUMJFAQSA-N 1 0 377.551 2.082 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824678193 653905061 /nfs/dbraw/zinc/90/50/61/653905061.db2.gz OUQQFRLZXUKDAK-RRFJBIMHSA-N 1 0 377.551 2.082 20 0 GEADRO C[C@H]([NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)C1CCS(=O)(=O)CC1 ZINC000824677621 653905064 /nfs/dbraw/zinc/90/50/64/653905064.db2.gz GVMRNDXJPMUPEP-WCQYABFASA-N 1 0 384.489 2.338 20 0 GEADRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000897059242 653905404 /nfs/dbraw/zinc/90/54/04/653905404.db2.gz BCEHGDKYVZMGMW-LLVKDONJSA-N 1 0 384.299 2.108 20 0 GEADRO C[NH+]1CCC(ONC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 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CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)nc1F ZINC000867349346 653919794 /nfs/dbraw/zinc/91/97/94/653919794.db2.gz QTZHDEGAPPNOQR-UHFFFAOYSA-N 1 0 380.283 2.088 20 0 GEADRO COc1cccc([C@H]2CN(C(=O)c3cc(N)nc(Br)c3)CCN2)c1 ZINC000825207098 653920924 /nfs/dbraw/zinc/92/09/24/653920924.db2.gz CIVUJYDISRRINY-CQSZACIVSA-N 1 0 391.269 2.222 20 0 GEADRO [NH3+]CC[C@H](NC(=O)c1cn(-c2ccccc2Br)nn1)C(F)(F)F ZINC000825208450 653920996 /nfs/dbraw/zinc/92/09/96/653920996.db2.gz XSXIFDRHCUPMKG-NSHDSACASA-N 1 0 392.179 2.039 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CSC[C@@H]2C1)c1ccsc1 ZINC000897448726 653922176 /nfs/dbraw/zinc/92/21/76/653922176.db2.gz VZMJXMQABSGLNC-XHSDSOJGSA-N 1 0 381.567 2.069 20 0 GEADRO COC(=O)c1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)c(Br)c1 ZINC000897513523 653925177 /nfs/dbraw/zinc/92/51/77/653925177.db2.gz QBLVPGGWJBEPNJ-KRWDZBQOSA-N 1 0 381.270 2.338 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CC2(OCCO)CCC(C(F)F)CC2)C1 ZINC000897540823 653926187 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O=C(NCC[S@@](=O)Cc1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000847475058 653929714 /nfs/dbraw/zinc/92/97/14/653929714.db2.gz BVKVDWWRHBNJAL-AVRWGWEMSA-N 1 0 380.579 2.269 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cnc(Cl)c(Br)c1 ZINC000847479842 653930391 /nfs/dbraw/zinc/93/03/91/653930391.db2.gz CFRXVBITBZUYGF-UHFFFAOYSA-N 1 0 389.725 2.207 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2sc(Br)nc2C)CC1 ZINC000825529660 653932588 /nfs/dbraw/zinc/93/25/88/653932588.db2.gz FUVJKINQCWCSRC-UHFFFAOYSA-N 1 0 376.320 2.445 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2ccc(Br)cn2)C1 ZINC000897691602 653933397 /nfs/dbraw/zinc/93/33/97/653933397.db2.gz DLRSMVFJWIRYME-INIZCTEOSA-N 1 0 386.290 2.306 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCc2cscc2Cl)CC1 ZINC000897691551 653933503 /nfs/dbraw/zinc/93/35/03/653933503.db2.gz NINYFIHEYDWUBV-UHFFFAOYSA-N 1 0 387.933 2.023 20 0 GEADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897696533 653933793 /nfs/dbraw/zinc/93/37/93/653933793.db2.gz 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C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cn2ccnc12 ZINC000867640110 653966373 /nfs/dbraw/zinc/96/63/73/653966373.db2.gz RMUONTAHHIYBMP-GFCCVEGCSA-N 1 0 395.301 2.014 20 0 GEADRO Cc1cc(NC(=O)c2cc(Br)n(C)n2)n(C2CC[NH+](C)CC2)n1 ZINC000826930162 653966465 /nfs/dbraw/zinc/96/64/65/653966465.db2.gz WRZAURDULBFYST-UHFFFAOYSA-N 1 0 381.278 2.207 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c(F)cc1Cl ZINC000795803410 653967227 /nfs/dbraw/zinc/96/72/27/653967227.db2.gz MGPKXWXMTZYSCL-NSHDSACASA-N 1 0 392.880 2.418 20 0 GEADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ncc(Br)cn2)o1 ZINC000898399136 653968709 /nfs/dbraw/zinc/96/87/09/653968709.db2.gz PJJNKQPKLHEJDI-UHFFFAOYSA-N 1 0 396.289 2.414 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)NOCc2ccc(F)cc2Br)cn1 ZINC000867654768 653969103 /nfs/dbraw/zinc/96/91/03/653969103.db2.gz FLRCABXMKIMCLO-UHFFFAOYSA-N 1 0 385.237 2.208 20 0 GEADRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CN(Cc2ccccc2)C1 ZINC000827048807 653972218 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GEADRO COc1cc(Br)cc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000828518142 654039807 /nfs/dbraw/zinc/03/98/07/654039807.db2.gz XSRCMNVJQFOBGO-UHFFFAOYSA-N 1 0 396.329 2.310 20 0 GEADRO Cc1cc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cnc1Br ZINC000828518176 654039866 /nfs/dbraw/zinc/03/98/66/654039866.db2.gz YWMVARGFPKXCLG-UHFFFAOYSA-N 1 0 381.318 2.005 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1cccc(Br)c1 ZINC000868536257 654042415 /nfs/dbraw/zinc/04/24/15/654042415.db2.gz ZALWVDOJHWTHNU-WMZOPIPTSA-N 1 0 394.313 2.181 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000899957032 654042468 /nfs/dbraw/zinc/04/24/68/654042468.db2.gz MPLYIADWAHCINY-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000828591530 654043417 /nfs/dbraw/zinc/04/34/17/654043417.db2.gz KTXXBPLYBBCDIR-BXUZGUMPSA-N 1 0 378.416 2.392 20 0 GEADRO CN(C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(Br)nc1 ZINC000849551799 654045790 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O=[S@](CC[NH2+]Cc1cnc2ccc(Br)cn12)CC(F)(F)F ZINC000850348593 654072122 /nfs/dbraw/zinc/07/21/22/654072122.db2.gz PLXIAWMSFFNQNB-OAQYLSRUSA-N 1 0 384.221 2.497 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(Br)cn1 ZINC000850351537 654072483 /nfs/dbraw/zinc/07/24/83/654072483.db2.gz PQTMRSDPWJJBQR-CMPLNLGQSA-N 1 0 396.207 2.273 20 0 GEADRO NS(=O)(=O)c1cc(Cl)cc(COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000798660998 654072724 /nfs/dbraw/zinc/07/27/24/654072724.db2.gz AFSDPMWOIMWFNZ-MRXNPFEDSA-N 1 0 386.901 2.438 20 0 GEADRO COc1cccc(-c2n[nH]cc2C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1 ZINC000850363775 654073025 /nfs/dbraw/zinc/07/30/25/654073025.db2.gz GYKFMUNYDSCAQY-UHFFFAOYSA-N 1 0 377.388 2.152 20 0 GEADRO O=C(c1cc2ncc(Br)cn2n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000900625404 654073664 /nfs/dbraw/zinc/07/36/64/654073664.db2.gz QADLREDVCXKQPA-ZDUSSCGKSA-N 1 0 378.274 2.192 20 0 GEADRO CN(C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)[C@@H]1C[NH+]2CCC1CC2 ZINC000900662681 654074904 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CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000850683207 654093970 /nfs/dbraw/zinc/09/39/70/654093970.db2.gz NOWZPURNAQGKHN-SECBINFHSA-N 1 0 389.681 2.037 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000900933517 654097181 /nfs/dbraw/zinc/09/71/81/654097181.db2.gz LFRMIBUCQZLFCK-KRWDZBQOSA-N 1 0 399.329 2.488 20 0 GEADRO [NH3+]CCOc1cccc(NC(=O)N2CCn3ncc(Br)c3C2)c1 ZINC000850751026 654104499 /nfs/dbraw/zinc/10/44/99/654104499.db2.gz SNGIFGNZLUIWIY-UHFFFAOYSA-N 1 0 380.246 2.031 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000916705807 654105598 /nfs/dbraw/zinc/10/55/98/654105598.db2.gz XBNZSRZWWVNDQJ-HNNXBMFYSA-N 1 0 378.274 2.100 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1c[nH]nc1Cl ZINC000830231735 654107144 /nfs/dbraw/zinc/10/71/44/654107144.db2.gz TYCBBOAQGOLEPL-UHFFFAOYSA-N 1 0 378.832 2.094 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000850825297 654108086 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C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cc3cccnc3cc2Br)C1 ZINC000901146582 654111947 /nfs/dbraw/zinc/11/19/47/654111947.db2.gz KMFJLOFQTCCQID-SFHVURJKSA-N 1 0 392.297 2.460 20 0 GEADRO C[C@@H](CNC(=O)c1cn(-c2ccccc2Br)nn1)[NH+]1CCCC1 ZINC000917100393 654113688 /nfs/dbraw/zinc/11/36/88/654113688.db2.gz HLCVVPKBDKYDTF-LBPRGKRZSA-N 1 0 378.274 2.244 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901202595 654114565 /nfs/dbraw/zinc/11/45/65/654114565.db2.gz FKHBISLCFUQQBV-YVEFUNNKSA-N 1 0 387.293 2.482 20 0 GEADRO CC[NH+](CC)CCN(C(=O)/C=C/C=C(Cl)Cl)[C@H]1CCS(=O)(=O)C1 ZINC000901211801 654115192 /nfs/dbraw/zinc/11/51/92/654115192.db2.gz IERICMHVSPMISP-IYNGYCSASA-N 1 0 383.341 2.219 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCS(=O)(=O)C1 ZINC000901212993 654115295 /nfs/dbraw/zinc/11/52/95/654115295.db2.gz PLOKBENECFKLHA-IFFAKLHKSA-N 1 0 388.599 2.018 20 0 GEADRO Cc1csc(C)c1S(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000917237769 654117450 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COc1c(Br)ccc(F)c1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869776316 654122133 /nfs/dbraw/zinc/12/21/33/654122133.db2.gz BYVLPHBUMDBBKO-JTQLQIEISA-N 1 0 389.265 2.172 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869777441 654122420 /nfs/dbraw/zinc/12/24/20/654122420.db2.gz ODUKTRGGDJPALN-JSGCOSHPSA-N 1 0 385.302 2.178 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)C1 ZINC000869785289 654124122 /nfs/dbraw/zinc/12/41/22/654124122.db2.gz KRNDCEFTUSTMME-LBPRGKRZSA-N 1 0 377.432 2.154 20 0 GEADRO C[C@H]1CN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000830593746 654128584 /nfs/dbraw/zinc/12/85/84/654128584.db2.gz GXWNPQANZUGFOH-XHDPSFHLSA-N 1 0 375.296 2.330 20 0 GEADRO Cn1nc(C(F)(F)F)c(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1Cl ZINC000889205026 654130934 /nfs/dbraw/zinc/13/09/34/654130934.db2.gz ADNMWEIRVITOOR-VIFPVBQESA-N 1 0 383.802 2.061 20 0 GEADRO Cn1nc(C(F)(F)F)c(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1Cl ZINC000889205259 654131071 /nfs/dbraw/zinc/13/10/71/654131071.db2.gz IQXROFWODQYQNT-SECBINFHSA-N 1 0 383.802 2.061 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000917685678 654131147 /nfs/dbraw/zinc/13/11/47/654131147.db2.gz CUVSIGVCKUOWPR-HOCLYGCPSA-N 1 0 393.336 2.432 20 0 GEADRO CN(C)[C@@H](CC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C(F)(F)F ZINC000901591179 654132906 /nfs/dbraw/zinc/13/29/06/654132906.db2.gz YKEZHXFKQNUASS-NWDGAFQWSA-N 1 0 382.224 2.448 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NCc1ccccc1 ZINC000901727446 654143614 /nfs/dbraw/zinc/14/36/14/654143614.db2.gz HERLGDARPOREAI-OCCSQVGLSA-N 1 0 377.286 2.255 20 0 GEADRO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000800529054 654148090 /nfs/dbraw/zinc/14/80/90/654148090.db2.gz APECORDNFJVRLK-AWEZNQCLSA-N 1 0 382.258 2.183 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)ccc1Cl ZINC000918360501 654149377 /nfs/dbraw/zinc/14/93/77/654149377.db2.gz SPSXKXYODOHGGB-CALCHBBNSA-N 1 0 386.901 2.089 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000918350882 654149425 /nfs/dbraw/zinc/14/94/25/654149425.db2.gz FSUUGNDSWIVUEZ-IAGOWNOFSA-N 1 0 386.901 2.089 20 0 GEADRO CCC1([NH+]2CCCC2)CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000870272623 654157444 /nfs/dbraw/zinc/15/74/44/654157444.db2.gz OPZFVQFUFQUEFL-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000918694358 654158393 /nfs/dbraw/zinc/15/83/93/654158393.db2.gz ZTNOMUKQEQBDJR-LLVKDONJSA-N 1 0 390.347 2.285 20 0 GEADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000800890886 654164004 /nfs/dbraw/zinc/16/40/04/654164004.db2.gz XQTBYJZMXKVDFO-UHFFFAOYSA-N 1 0 382.917 2.063 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)c1 ZINC000918899441 654165177 /nfs/dbraw/zinc/16/51/77/654165177.db2.gz FUHSBBZQMRRZMH-UHFFFAOYSA-N 1 0 398.282 2.182 20 0 GEADRO O=C(c1cc(Br)cnc1C1CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889740100 654165840 /nfs/dbraw/zinc/16/58/40/654165840.db2.gz TYINWNQRNFMNCT-HZPDHXFCSA-N 1 0 394.313 2.393 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)C1 ZINC000918961489 654166708 /nfs/dbraw/zinc/16/67/08/654166708.db2.gz GIVIMWMPENGECD-CYBMUJFWSA-N 1 0 387.354 2.273 20 0 GEADRO C[C@]1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1(Br)Br ZINC000851636100 654166655 /nfs/dbraw/zinc/16/66/55/654166655.db2.gz SOJJJWVMMCCIDU-UXCLJVHYSA-N 1 0 380.124 2.468 20 0 GEADRO O=C(c1cc(Cl)ncc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889750739 654167079 /nfs/dbraw/zinc/16/70/79/654167079.db2.gz OFPUJBUQUFLPFP-QWHCGFSZSA-N 1 0 388.693 2.169 20 0 GEADRO O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889755996 654168210 /nfs/dbraw/zinc/16/82/10/654168210.db2.gz LIIGIMZBRTXHDG-CABCVRRESA-N 1 0 383.279 2.312 20 0 GEADRO O=C(c1cnc(Cl)c(Br)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755792 654168325 /nfs/dbraw/zinc/16/83/25/654168325.db2.gz KJQOUHSEFXIREB-CHWSQXEVSA-N 1 0 388.693 2.169 20 0 GEADRO C[C@]12CCN(C(=O)NC[C@H]3CCC[NH2+]3)C[C@H]1C2(Br)Br ZINC000851665733 654168640 /nfs/dbraw/zinc/16/86/40/654168640.db2.gz XXQZPEIDSGRVGB-FOGDFJRCSA-N 1 0 395.139 2.276 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889757372 654168875 /nfs/dbraw/zinc/16/88/75/654168875.db2.gz UUACMDHWVCVAPT-NWDGAFQWSA-N 1 0 391.509 2.366 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889757695 654169014 /nfs/dbraw/zinc/16/90/14/654169014.db2.gz UVGDMWLAWVEPGP-SJORKVTESA-N 1 0 381.314 2.358 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000831190775 654169832 /nfs/dbraw/zinc/16/98/32/654169832.db2.gz JGWLQOPMFXLYQA-LLVKDONJSA-N 1 0 379.295 2.492 20 0 GEADRO O=C(c1sc(N2CCCC2)nc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775437 654171964 /nfs/dbraw/zinc/17/19/64/654171964.db2.gz VKQWMMIRXHREKR-OLZOCXBDSA-N 1 0 384.933 2.068 20 0 GEADRO COc1ccc(Br)cc1C[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851718839 654172231 /nfs/dbraw/zinc/17/22/31/654172231.db2.gz PXQVFJMOTWXHSK-SFHVURJKSA-N 1 0 393.281 2.263 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889781998 654172482 /nfs/dbraw/zinc/17/24/82/654172482.db2.gz PLPGKXAPKKRXEK-HUUCEWRRSA-N 1 0 383.286 2.129 20 0 GEADRO C[N@H+](CCOc1ccc(Br)cc1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851723507 654172907 /nfs/dbraw/zinc/17/29/07/654172907.db2.gz YZXDCSVTJYCEDE-GOSISDBHSA-N 1 0 393.281 2.133 20 0 GEADRO NC(=O)[C@@](O)(C[N@@H+]1CCc2c(Br)cccc2C1)c1ccccc1 ZINC000851744095 654173792 /nfs/dbraw/zinc/17/37/92/654173792.db2.gz ZETZFNUJEDVESO-GOSISDBHSA-N 1 0 375.266 2.180 20 0 GEADRO C[C@@H](C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000889812219 654175442 /nfs/dbraw/zinc/17/54/42/654175442.db2.gz SSVHOIWOAGCYLW-BBGACYKPSA-N 1 0 395.301 2.085 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000801046772 654175619 /nfs/dbraw/zinc/17/56/19/654175619.db2.gz SHQVPLYCOWFSBW-NCOADZHNSA-N 1 0 385.599 2.120 20 0 GEADRO CC[NH+]1CCC(NC(=O)Cn2cc(Br)c3ccsc3c2=O)CC1 ZINC000902401212 654176606 /nfs/dbraw/zinc/17/66/06/654176606.db2.gz ISBMRRKYZLHZHZ-UHFFFAOYSA-N 1 0 398.326 2.426 20 0 GEADRO CCn1cnc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000902440222 654177892 /nfs/dbraw/zinc/17/78/92/654177892.db2.gz WZJPQQZDCRGQCJ-UHFFFAOYSA-N 1 0 377.388 2.365 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCS[C@H](C(F)(F)F)C1 ZINC000919405100 654179265 /nfs/dbraw/zinc/17/92/65/654179265.db2.gz YJCXPVBMHDOFKD-JSGCOSHPSA-N 1 0 381.464 2.177 20 0 GEADRO O=C(c1cncc(I)c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889828999 654181737 /nfs/dbraw/zinc/18/17/37/654181737.db2.gz GRKZIRMQOLLMDI-UHFFFAOYSA-N 1 0 385.249 2.433 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)CC1 ZINC000870574001 654181779 /nfs/dbraw/zinc/18/17/79/654181779.db2.gz VILVSYIKQQIQNY-UHFFFAOYSA-N 1 0 393.962 2.304 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cc(OC)ccc2Br)C1 ZINC000851820674 654183412 /nfs/dbraw/zinc/18/34/12/654183412.db2.gz FIEUPLXWKFGDPK-CYBMUJFWSA-N 1 0 391.331 2.361 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000889866507 654184862 /nfs/dbraw/zinc/18/48/62/654184862.db2.gz HEEFUXJANWXEGT-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO O=C([C@H]1CCCN1Cc1ccccn1)N1CCn2c(Br)cnc2C1 ZINC000801239859 654185717 /nfs/dbraw/zinc/18/57/17/654185717.db2.gz CELGHKJQSNYPGS-CQSZACIVSA-N 1 0 390.285 2.047 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C)nc1Br ZINC000889968424 654189964 /nfs/dbraw/zinc/18/99/64/654189964.db2.gz HPBSHKIZGOEONZ-WFASDCNBSA-N 1 0 377.286 2.433 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000851856911 654193001 /nfs/dbraw/zinc/19/30/01/654193001.db2.gz IHHWRKMIUDRBBT-UHFFFAOYSA-N 1 0 378.441 2.150 20 0 GEADRO CC1(C)CC[N@H+](CCNC(=O)c2nscc2I)C1 ZINC000890069208 654195663 /nfs/dbraw/zinc/19/56/63/654195663.db2.gz SHCPBYWHJVPSTP-UHFFFAOYSA-N 1 0 379.267 2.209 20 0 GEADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902796347 654198269 /nfs/dbraw/zinc/19/82/69/654198269.db2.gz MQLJGUJBZHVKPJ-LBPRGKRZSA-N 1 0 379.448 2.260 20 0 GEADRO NC(=O)[C@](O)(C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000851884783 654200107 /nfs/dbraw/zinc/20/01/07/654200107.db2.gz BUYCUVRUNIZBSW-SFHVURJKSA-N 1 0 383.275 2.161 20 0 GEADRO CCCNC(=O)C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870861588 654200385 /nfs/dbraw/zinc/20/03/85/654200385.db2.gz DJGNTDZUTRUPSV-OAHLLOKOSA-N 1 0 382.302 2.214 20 0 GEADRO CCCNC(=O)C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870861587 654200539 /nfs/dbraw/zinc/20/05/39/654200539.db2.gz DJGNTDZUTRUPSV-HNNXBMFYSA-N 1 0 382.302 2.214 20 0 GEADRO CCO[C@H](CNC(=O)[C@H]1CCOc2ccc(Br)cc21)C[NH+](C)C ZINC000831707373 654201296 /nfs/dbraw/zinc/20/12/96/654201296.db2.gz DANDIFYDTNMEAI-KGLIPLIRSA-N 1 0 385.302 2.398 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@](O)(C(N)=O)c2ccccc2)cc1Br ZINC000851894157 654202229 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Cc1cc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccc1Cl ZINC000920273456 654207818 /nfs/dbraw/zinc/20/78/18/654207818.db2.gz HNWRGBZSIBRQQU-TVFCKZIOSA-N 1 0 386.945 2.406 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccc1Cl ZINC000920273453 654208143 /nfs/dbraw/zinc/20/81/43/654208143.db2.gz HNWRGBZSIBRQQU-BRSBDYLESA-N 1 0 386.945 2.406 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C2 ZINC000920281451 654208390 /nfs/dbraw/zinc/20/83/90/654208390.db2.gz BKONZMHOVLDFQH-NCOADZHNSA-N 1 0 390.908 2.237 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1Cl ZINC000920281528 654208510 /nfs/dbraw/zinc/20/85/10/654208510.db2.gz CZUVQJRDKCDMOE-BDXSIMOUSA-N 1 0 386.945 2.406 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(Cl)c1F)C2 ZINC000920281585 654208599 /nfs/dbraw/zinc/20/85/99/654208599.db2.gz FEDLDEFMRYFZGP-KFZJALRRSA-N 1 0 390.908 2.237 20 0 GEADRO 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CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000852112411 654218557 /nfs/dbraw/zinc/21/85/57/654218557.db2.gz MXBPVTYPVJOSDK-IXDOHACOSA-N 1 0 375.377 2.371 20 0 GEADRO COc1cc(OC)c(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1Br ZINC000831970429 654220543 /nfs/dbraw/zinc/22/05/43/654220543.db2.gz HFZFTVNGFKTZLX-UHFFFAOYSA-N 1 0 381.230 2.087 20 0 GEADRO C[C@H](CSCCF)[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000903146136 654221468 /nfs/dbraw/zinc/22/14/68/654221468.db2.gz TULPSSJYWCYBMR-KGLIPLIRSA-N 1 0 398.566 2.091 20 0 GEADRO C[C@@H](CSCCF)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000903146237 654221551 /nfs/dbraw/zinc/22/15/51/654221551.db2.gz TULPSSJYWCYBMR-UONOGXRCSA-N 1 0 398.566 2.091 20 0 GEADRO CS(=O)(=O)C1CCC(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000903153694 654222073 /nfs/dbraw/zinc/22/20/73/654222073.db2.gz HYVQNLVHTWKWBC-PXCJXSSVSA-N 1 0 389.514 2.237 20 0 GEADRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903168185 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387.933 2.157 20 0 GEADRO Cn1nc(I)cc1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871363543 654228610 /nfs/dbraw/zinc/22/86/10/654228610.db2.gz NOYHKVXDJGYTKD-UHFFFAOYSA-N 1 0 390.269 2.017 20 0 GEADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000903228036 654229327 /nfs/dbraw/zinc/22/93/27/654229327.db2.gz YKLPNTGOAZQJQY-HNNXBMFYSA-N 1 0 387.502 2.331 20 0 GEADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903230188 654230090 /nfs/dbraw/zinc/23/00/90/654230090.db2.gz WQNPYKWYULOEIJ-LBPRGKRZSA-N 1 0 398.497 2.256 20 0 GEADRO CCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOC)CC1 ZINC000802467295 654230897 /nfs/dbraw/zinc/23/08/97/654230897.db2.gz PWKVEZXYOHECQV-UHFFFAOYSA-N 1 0 397.321 2.214 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000852307478 654231308 /nfs/dbraw/zinc/23/13/08/654231308.db2.gz ZBFUXARNWTUKSK-SXBQZSJRSA-N 1 0 383.480 2.394 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@]2(CO)COCCN2C)ccc1SC(F)F ZINC000903279134 654232448 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CO[C@@]1(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)CCS(=O)(=O)C1 ZINC000903365405 654235790 /nfs/dbraw/zinc/23/57/90/654235790.db2.gz NAICTXGBSBTUKU-SWLSCSKDSA-N 1 0 376.316 2.173 20 0 GEADRO CO[C@]1(C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CCS(=O)(=O)C1 ZINC000903367697 654236566 /nfs/dbraw/zinc/23/65/66/654236566.db2.gz JHHLFKMRDGVJLK-PXAZEXFGSA-N 1 0 381.523 2.368 20 0 GEADRO CO[C@]1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCS(=O)(=O)C1 ZINC000903368001 654236762 /nfs/dbraw/zinc/23/67/62/654236762.db2.gz LGYZISDLQVHDHJ-SFHVURJKSA-N 1 0 386.945 2.098 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000921143283 654237052 /nfs/dbraw/zinc/23/70/52/654237052.db2.gz LSSVWJYDHMCVAH-OAHLLOKOSA-N 1 0 384.571 2.050 20 0 GEADRO COCCS(=O)(=O)CCC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000852421033 654237901 /nfs/dbraw/zinc/23/79/01/654237901.db2.gz NEZXEXWDNQQQML-GOSISDBHSA-N 1 0 389.945 2.473 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CN1Cc2c(cccc2Br)C1=O ZINC000802738662 654238922 /nfs/dbraw/zinc/23/89/22/654238922.db2.gz OCGHQFMIEADHQL-ZDUSSCGKSA-N 1 0 396.329 2.139 20 0 GEADRO COC(=O)c1ncn(C[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)n1 ZINC000921187366 654239449 /nfs/dbraw/zinc/23/94/49/654239449.db2.gz CXNPQVRFFCXTEQ-CQSZACIVSA-N 1 0 379.258 2.492 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000903465249 654239943 /nfs/dbraw/zinc/23/99/43/654239943.db2.gz GGORZYDDZAQHTG-AWEZNQCLSA-N 1 0 399.276 2.412 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C)ccc1Br ZINC000903493638 654241484 /nfs/dbraw/zinc/24/14/84/654241484.db2.gz SQJKNCGZOOARME-AWEZNQCLSA-N 1 0 377.304 2.303 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C)c(OC)cc1Br ZINC000903493553 654241612 /nfs/dbraw/zinc/24/16/12/654241612.db2.gz QXRQYIDXOKWFJR-AWEZNQCLSA-N 1 0 395.319 2.118 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)CC[C@H]1C(F)(F)F ZINC000903512310 654243921 /nfs/dbraw/zinc/24/39/21/654243921.db2.gz QFZMOGSFGJSZPM-NXEZZACHSA-N 1 0 379.379 2.455 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000903511118 654244016 /nfs/dbraw/zinc/24/40/16/654244016.db2.gz PFWSJYCRXSUFMF-NSHDSACASA-N 1 0 379.295 2.349 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)CC[C@@H]1C(F)(F)F ZINC000903512311 654244481 /nfs/dbraw/zinc/24/44/81/654244481.db2.gz QFZMOGSFGJSZPM-UWVGGRQHSA-N 1 0 379.379 2.455 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC(C)(C)CCC[NH3+])c1F ZINC000903517488 654246436 /nfs/dbraw/zinc/24/64/36/654246436.db2.gz DLWSNJFRMQIOAZ-UHFFFAOYSA-N 1 0 383.283 2.393 20 0 GEADRO CC[C@H](Sc1nc(CC(=O)N(C)CC(C)(C)C[NH+](C)C)cs1)C(N)=O ZINC000890879033 654246466 /nfs/dbraw/zinc/24/64/66/654246466.db2.gz VNYOXJXIJGTVGZ-ZDUSSCGKSA-N 1 0 386.587 2.088 20 0 GEADRO C[C@H]1C[C@H](C[NH+]2CCC(n3nncc3I)CC2)CCO1 ZINC000852532615 654246554 /nfs/dbraw/zinc/24/65/54/654246554.db2.gz NLPDNVQJHRHUTE-NWDGAFQWSA-N 1 0 390.269 2.335 20 0 GEADRO O=S(=O)(Cc1cccc(Cl)c1Br)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903518387 654246826 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[NH3+][C@@H]1CN(CC(=O)NCCOc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000903535874 654251085 /nfs/dbraw/zinc/25/10/85/654251085.db2.gz YHPOUGZLTSICLU-UONOGXRCSA-N 1 0 379.810 2.047 20 0 GEADRO [NH3+][C@@H]1CN(CC(=O)NCCCSc2ccccc2)CC[C@H]1C(F)(F)F ZINC000903535384 654251097 /nfs/dbraw/zinc/25/10/97/654251097.db2.gz SOMHUJOYMFDOBV-HUUCEWRRSA-N 1 0 375.460 2.497 20 0 GEADRO Cc1cc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c(F)cc1Br ZINC000903538806 654251877 /nfs/dbraw/zinc/25/18/77/654251877.db2.gz YANOAZLBKZWOSX-UHFFFAOYSA-N 1 0 395.294 2.025 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903538763 654251912 /nfs/dbraw/zinc/25/19/12/654251912.db2.gz BGBDIHMHABPXBU-IAQYHMDHSA-N 1 0 389.315 2.350 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c(Cl)c1Cl ZINC000903543278 654252663 /nfs/dbraw/zinc/25/26/63/654252663.db2.gz VZRGYDXHXUGCHP-UHFFFAOYSA-N 1 0 383.297 2.130 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Cl)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544170 654252972 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Cc1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)sc1Cl ZINC000903562597 654256693 /nfs/dbraw/zinc/25/66/93/654256693.db2.gz PZXDMKCKSRPUMW-OKILXGFUSA-N 1 0 389.974 2.299 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903563363 654257149 /nfs/dbraw/zinc/25/71/49/654257149.db2.gz ZVODWRXVTHYYJX-QJPTWQEYSA-N 1 0 375.288 2.019 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)C1 ZINC000903569946 654257554 /nfs/dbraw/zinc/25/75/54/654257554.db2.gz RQSSKVRNBLXULJ-QEJZJMRPSA-N 1 0 388.917 2.304 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000903570322 654257613 /nfs/dbraw/zinc/25/76/13/654257613.db2.gz ZPRJQTHLNAHBAB-NXEZZACHSA-N 1 0 378.294 2.095 20 0 GEADRO CC(C)n1ncc2cc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)ccc21 ZINC000903572247 654258249 /nfs/dbraw/zinc/25/82/49/654258249.db2.gz KUBHQZWYVPVTKQ-CHWSQXEVSA-N 1 0 376.404 2.127 20 0 GEADRO Cc1nc(C)c(S(=O)(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903573421 654258847 /nfs/dbraw/zinc/25/88/47/654258847.db2.gz IHURCOUHNXSKDV-RHSMWYFYSA-N 1 0 379.507 2.294 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000852761868 654259485 /nfs/dbraw/zinc/25/94/85/654259485.db2.gz DFLGDWGOUMOSMS-JTQLQIEISA-N 1 0 389.315 2.070 20 0 GEADRO C[C@@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CC1(Br)Br ZINC000852799764 654260684 /nfs/dbraw/zinc/26/06/84/654260684.db2.gz WWCOIAMHDVQFGX-LBPRGKRZSA-N 1 0 398.139 2.239 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(F)c(Br)cc1F)C2 ZINC000903578492 654260798 /nfs/dbraw/zinc/26/07/98/654260798.db2.gz APBKMASKZPAQFM-YIZRAAEISA-N 1 0 381.242 2.228 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000871804546 654260821 /nfs/dbraw/zinc/26/08/21/654260821.db2.gz JDVNOZOYLNVAJL-WCQYABFASA-N 1 0 385.917 2.363 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[C@H]1[NH3+] ZINC000871804219 654260867 /nfs/dbraw/zinc/26/08/67/654260867.db2.gz DTHIONFFJKSORK-BXUZGUMPSA-N 1 0 385.917 2.363 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CC[C@H]1C(F)(F)F ZINC000903578851 654261081 /nfs/dbraw/zinc/26/10/81/654261081.db2.gz KNWMKPSZJWKICN-BDAKNGLRSA-N 1 0 392.321 2.327 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)CC[C@H]1C(F)(F)F ZINC000903580162 654261313 /nfs/dbraw/zinc/26/13/13/654261313.db2.gz SIUHUOPFPZXGDU-VXGBXAGGSA-N 1 0 375.372 2.242 20 0 GEADRO COC(=O)C[C@@H](NC(=O)C=C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000852814480 654261358 /nfs/dbraw/zinc/26/13/58/654261358.db2.gz UCPFLVOVGDSJPG-OAHLLOKOSA-N 1 0 381.270 2.479 20 0 GEADRO O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCC1CC[NH2+]CC1 ZINC000832357134 654261368 /nfs/dbraw/zinc/26/13/68/654261368.db2.gz CPRQDZYDYMGLMB-UHFFFAOYSA-N 1 0 378.523 2.044 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)CC[C@@H]1C(F)(F)F ZINC000903580297 654261400 /nfs/dbraw/zinc/26/14/00/654261400.db2.gz TYMANCMSPPLHFM-KBPBESRZSA-N 1 0 376.400 2.351 20 0 GEADRO O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000852818895 654261669 /nfs/dbraw/zinc/26/16/69/654261669.db2.gz ROUYXSVMUMHQGI-CQSZACIVSA-N 1 0 388.256 2.047 20 0 GEADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000871810842 654262396 /nfs/dbraw/zinc/26/23/96/654262396.db2.gz QCXPPCGGKPIUTQ-NSHDSACASA-N 1 0 379.309 2.430 20 0 GEADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1C(F)(F)F ZINC000871810168 654262501 /nfs/dbraw/zinc/26/25/01/654262501.db2.gz KANHJITWEYOXPX-LBPRGKRZSA-N 1 0 378.416 2.142 20 0 GEADRO CCc1c(NC(=O)C2=NO[C@@H](C[NH3+])C2)n[nH]c1-c1ccc(Br)cc1 ZINC000852839053 654262765 /nfs/dbraw/zinc/26/27/65/654262765.db2.gz VWEYGVMMJXJUFS-LLVKDONJSA-N 1 0 392.257 2.444 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)C[C@@H]1C(F)(F)F ZINC000871812473 654262919 /nfs/dbraw/zinc/26/29/19/654262919.db2.gz ADTWWBAFMYIEPO-PWSUYJOCSA-N 1 0 375.372 2.099 20 0 GEADRO COC(=O)c1cc2nc(NC(=O)C[C@@H]3CC[N@H+](C)C3)[nH]c2c(Br)c1 ZINC000891092500 654263476 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YUJNLKZFDMEZNG-SVRRBLITSA-N 1 0 378.203 2.146 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2s1 ZINC000871814981 654264490 /nfs/dbraw/zinc/26/44/90/654264490.db2.gz YCUIZSHGZFUUQY-GXSJLCMTSA-N 1 0 379.429 2.362 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871816158 654264697 /nfs/dbraw/zinc/26/46/97/654264697.db2.gz BIRLUYPCUTYSDK-AFAVFJNCSA-N 1 0 388.917 2.317 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903590419 654264720 /nfs/dbraw/zinc/26/47/20/654264720.db2.gz WCSOAQPRLNXZMX-XPTSAGLGSA-N 1 0 393.278 2.099 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871816081 654264865 /nfs/dbraw/zinc/26/48/65/654264865.db2.gz AFEAUCOOQIXAMB-IRXDYDNUSA-N 1 0 388.917 2.318 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592900 654265588 /nfs/dbraw/zinc/26/55/88/654265588.db2.gz IYPGBKBKYOSDMO-HNNXBMFYSA-N 1 0 389.315 2.283 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871816796 654265298 /nfs/dbraw/zinc/26/52/98/654265298.db2.gz LBGWOWSIDUKFOG-OCCSQVGLSA-N 1 0 393.278 2.160 20 0 GEADRO COC[C@@]1(CNC(=O)c2cnn(-c3ccccc3)c2Br)CCC[NH2+]1 ZINC000852880306 654265373 /nfs/dbraw/zinc/26/53/73/654265373.db2.gz LYCFENYRHILRFI-KRWDZBQOSA-N 1 0 393.285 2.133 20 0 GEADRO Cn1ncc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1Br ZINC000852881947 654265433 /nfs/dbraw/zinc/26/54/33/654265433.db2.gz UCYSQDWMTROCEG-GXTWGEPZSA-N 1 0 395.276 2.445 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000871819301 654265595 /nfs/dbraw/zinc/26/55/95/654265595.db2.gz SKNKZCMJERPUIF-CYBMUJFWSA-N 1 0 386.539 2.434 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903592893 654265596 /nfs/dbraw/zinc/26/55/96/654265596.db2.gz IPSGXJSHDHSHNV-QGZVFWFLSA-N 1 0 388.917 2.272 20 0 GEADRO CN(CCCCCC[NH3+])S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000871821101 654266018 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CCCC(=O)N1CSC[C@H]1C(=O)NC1(C(F)(F)F)CC[NH+](CC)CC1 ZINC000891208206 654272047 /nfs/dbraw/zinc/27/20/47/654272047.db2.gz QNUMDWGTCVKWQA-LBPRGKRZSA-N 1 0 381.464 2.221 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(Br)cn1)c1cccnc1 ZINC000921481966 654272393 /nfs/dbraw/zinc/27/23/93/654272393.db2.gz YRYUNOGMLJHFKU-CQSZACIVSA-N 1 0 399.314 2.210 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CCN(C(=S)NCc3ccc(Br)cc3)CC2)C1 ZINC000853043847 654274019 /nfs/dbraw/zinc/27/40/19/654274019.db2.gz PHDYKPMRZDFUPW-MRXNPFEDSA-N 1 0 398.370 2.355 20 0 GEADRO C[C@@H](CN1C(=O)N[C@H](Cc2cncs2)C1=O)[N@@H+]1CCc2sccc2C1 ZINC000871895631 654274109 /nfs/dbraw/zinc/27/41/09/654274109.db2.gz VQHOQASSOTZIMU-SMDDNHRTSA-N 1 0 376.507 2.114 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc(Br)c1 ZINC000871920195 654277747 /nfs/dbraw/zinc/27/77/47/654277747.db2.gz DHMYIUUWHUSHGF-HUUCEWRRSA-N 1 0 383.286 2.151 20 0 GEADRO O=C1N(CC[NH2+]C[C@@H](O)c2cccc(Br)c2)C[C@H]2CCCCN12 ZINC000853118843 654280190 /nfs/dbraw/zinc/28/01/90/654280190.db2.gz RZEGGKMWCIWKNE-HZPDHXFCSA-N 1 0 382.302 2.362 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000853117358 654280252 /nfs/dbraw/zinc/28/02/52/654280252.db2.gz URGMIUOIAQDAFG-AWEZNQCLSA-N 1 0 394.306 2.353 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719451 654281036 /nfs/dbraw/zinc/28/10/36/654281036.db2.gz ZVNJZVCPLXYFST-QAPCUYQASA-N 1 0 396.329 2.396 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000891308083 654281486 /nfs/dbraw/zinc/28/14/86/654281486.db2.gz IQCNXXRMFXTFFH-UHFFFAOYSA-N 1 0 380.286 2.474 20 0 GEADRO CC(C)N(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903720402 654281372 /nfs/dbraw/zinc/28/13/72/654281372.db2.gz BXQYOHJGWRLJBK-OLZOCXBDSA-N 1 0 377.432 2.223 20 0 GEADRO O=S(=O)(c1ccc(Cl)s1)N1CCCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903725637 654281437 /nfs/dbraw/zinc/28/14/37/654281437.db2.gz FAFVTEYDKTVBJL-AWEZNQCLSA-N 1 0 391.990 2.488 20 0 GEADRO CC[NH+]1CCN(CCNc2nc(Cl)nc3c(Br)c[nH]c32)CC1 ZINC000853151064 654281913 /nfs/dbraw/zinc/28/19/13/654281913.db2.gz LRTJSEAOXXYGQC-UHFFFAOYSA-N 1 0 387.713 2.423 20 0 GEADRO [NH3+][C@H]1CN(CCS(=O)(=O)c2nc3ccccc3s2)CC[C@H]1C(F)(F)F ZINC000903786844 654283181 /nfs/dbraw/zinc/28/31/81/654283181.db2.gz PFCZJNXRYGLORG-MNOVXSKESA-N 1 0 393.456 2.282 20 0 GEADRO O[C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777038 654283429 /nfs/dbraw/zinc/28/34/29/654283429.db2.gz ZGUZBNRVDRCTHO-TVFCKZIOSA-N 1 0 381.314 2.325 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000903795293 654283707 /nfs/dbraw/zinc/28/37/07/654283707.db2.gz JZVDXCTUADEXRZ-BBRMVZONSA-N 1 0 387.343 2.426 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000903830458 654284694 /nfs/dbraw/zinc/28/46/94/654284694.db2.gz BSOCREVGBOFDSZ-LBPRGKRZSA-N 1 0 390.709 2.351 20 0 GEADRO Cn1nc2c(c1C[NH2+]CCNC(=O)c1ccc(Br)cc1)CCC2 ZINC000921577684 654284914 /nfs/dbraw/zinc/28/49/14/654284914.db2.gz KBLQVHYGPVOADE-UHFFFAOYSA-N 1 0 377.286 2.191 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1csc(I)n1 ZINC000832715591 654289932 /nfs/dbraw/zinc/28/99/32/654289932.db2.gz BLFVHQQBRMVEEL-UHFFFAOYSA-N 1 0 379.267 2.304 20 0 GEADRO CC(C)[C@@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[NH+]1CCCCCC1 ZINC000853283134 654290803 /nfs/dbraw/zinc/29/08/03/654290803.db2.gz DMVKEDZGYOLPCW-DLUDVSRJSA-N 1 0 385.496 2.497 20 0 GEADRO O=C(CCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)Nc1ccc(Br)cc1 ZINC000891405682 654291878 /nfs/dbraw/zinc/29/18/78/654291878.db2.gz YUURUHSONXMBDQ-YOEHRIQHSA-N 1 0 395.301 2.362 20 0 GEADRO C[C@H]1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[C@@H]1[NH3+] ZINC000832737078 654292003 /nfs/dbraw/zinc/29/20/03/654292003.db2.gz LDJZDALQALUKTN-FZMZJTMJSA-N 1 0 378.523 2.124 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(C)nc1Br)[C@H]1CC[N@H+](C)C1 ZINC000832743016 654292901 /nfs/dbraw/zinc/29/29/01/654292901.db2.gz RNZGVBSIZOFIDO-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)NCCC1N=NC(=S)N1C)c1ccsc1 ZINC000853344079 654292899 /nfs/dbraw/zinc/29/28/99/654292899.db2.gz CLVFZYFUIOOZPO-CYBMUJFWSA-N 1 0 382.559 2.090 20 0 GEADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891426617 654293085 /nfs/dbraw/zinc/29/30/85/654293085.db2.gz SOFZPCGRZJMPFB-INWMFGNUSA-N 1 0 379.302 2.031 20 0 GEADRO CCO[C@H](CNS(=O)(=O)c1cc(C(=O)CC)ccc1Cl)C[NH+](C)C ZINC000921630102 654295576 /nfs/dbraw/zinc/29/55/76/654295576.db2.gz FRDCWHLGOOIJQE-CYBMUJFWSA-N 1 0 376.906 2.178 20 0 GEADRO CCO[C@H](CNS(=O)(=O)c1sc(C)cc1Br)C[NH+](C)C ZINC000921644250 654298034 /nfs/dbraw/zinc/29/80/34/654298034.db2.gz PZYCFORQZRSQEL-SNVBAGLBSA-N 1 0 385.349 2.064 20 0 GEADRO CS[C@H]1CN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)C[C@H]1[NH+]1CCCC1 ZINC000853483979 654298594 /nfs/dbraw/zinc/29/85/94/654298594.db2.gz UGRRJULYIUTEJY-KGLIPLIRSA-N 1 0 385.942 2.390 20 0 GEADRO CSc1ccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@@H]34)n2)c(Cl)c1 ZINC000904098012 654301243 /nfs/dbraw/zinc/30/12/43/654301243.db2.gz MDDBNZDKSLUMQN-LJWDBELGSA-N 1 0 399.925 2.287 20 0 GEADRO C[C@@H]1CN(C(=O)c2cccnc2I)CC[N@@H+](C2CC2)C1 ZINC000832950328 654301464 /nfs/dbraw/zinc/30/14/64/654301464.db2.gz XUMSIKFNIHDWFQ-NSHDSACASA-N 1 0 385.249 2.243 20 0 GEADRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCc2n[nH]cc2Br)c1 ZINC000891580057 654301578 /nfs/dbraw/zinc/30/15/78/654301578.db2.gz SXZPHJXZYSBIGN-HNNXBMFYSA-N 1 0 394.273 2.037 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000891593558 654301914 /nfs/dbraw/zinc/30/19/14/654301914.db2.gz RRUQRZMUSNZGIM-UHFFFAOYSA-N 1 0 392.257 2.137 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCCc1nc(C(F)(F)F)cs1)C2 ZINC000891617870 654303087 /nfs/dbraw/zinc/30/30/87/654303087.db2.gz KXCQPVKUQVHUSE-UHFFFAOYSA-N 1 0 391.444 2.388 20 0 GEADRO CNS(=O)(=O)Cc1ccc(CNc2cc[nH+]c(C)c2Br)cc1 ZINC000891619997 654303512 /nfs/dbraw/zinc/30/35/12/654303512.db2.gz LZHYJLFANHTTLZ-UHFFFAOYSA-N 1 0 384.299 2.236 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000891882635 654316552 /nfs/dbraw/zinc/31/65/52/654316552.db2.gz AOOGXCLXDQKXBO-AOOOYVTPSA-N 1 0 393.656 2.481 20 0 GEADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000904279217 654306821 /nfs/dbraw/zinc/30/68/21/654306821.db2.gz SOBRZBRJXPRSQB-QFYYESIMSA-N 1 0 382.258 2.484 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@H]2C[C@H](C[NH3+])C2)c1 ZINC000904320724 654307306 /nfs/dbraw/zinc/30/73/06/654307306.db2.gz NHRFNSYPILTUCZ-KYZUINATSA-N 1 0 375.210 2.159 20 0 GEADRO COc1cc(Br)c(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1O ZINC000904392637 654308840 /nfs/dbraw/zinc/30/88/40/654308840.db2.gz WEPIDHGAHWJADU-ZDUSSCGKSA-N 1 0 385.302 2.493 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000904393444 654308865 /nfs/dbraw/zinc/30/88/65/654308865.db2.gz UMUIVXJQPDBMFH-ZDUSSCGKSA-N 1 0 394.273 2.087 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2nc3c(s2)CCCC3)C[C@@H]1C(F)(F)F ZINC000891733133 654308832 /nfs/dbraw/zinc/30/88/32/654308832.db2.gz YJGLNLVXLHUJOQ-MNOVXSKESA-N 1 0 376.448 2.343 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904401266 654309172 /nfs/dbraw/zinc/30/91/72/654309172.db2.gz GRFKRAPXXOAZKZ-KRWDZBQOSA-N 1 0 379.302 2.229 20 0 GEADRO COc1cc(CN2CCC[C@@]([NH3+])(CO)C2)cc(Br)c1OC(F)F ZINC000904403038 654309387 /nfs/dbraw/zinc/30/93/87/654309387.db2.gz ZSAWVLRLGAICQS-HNNXBMFYSA-N 1 0 395.244 2.345 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000904417431 654309750 /nfs/dbraw/zinc/30/97/50/654309750.db2.gz CJVOGKZHCYABKO-BDJLRTHQSA-N 1 0 391.273 2.375 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)NC2(C[NH+]3CCCCC3)CCC2)s1 ZINC000872005960 654309899 /nfs/dbraw/zinc/30/98/99/654309899.db2.gz GBYYWNSGBSCTTD-UHFFFAOYSA-N 1 0 385.555 2.071 20 0 GEADRO Cn1ncc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2F)c1C(F)(F)F ZINC000872006737 654310230 /nfs/dbraw/zinc/31/02/30/654310230.db2.gz SLMJICYISADHKW-UHFFFAOYSA-N 1 0 380.367 2.440 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000804442067 654310762 /nfs/dbraw/zinc/31/07/62/654310762.db2.gz ZJBIQIUQDQSUKK-UHFFFAOYSA-N 1 0 387.933 2.196 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(CN2Cc3cccc(Br)c3C2=O)CCO1 ZINC000853623356 654311244 /nfs/dbraw/zinc/31/12/44/654311244.db2.gz BBOVMASKGJQVTE-HNNXBMFYSA-N 1 0 396.329 2.405 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904459572 654311494 /nfs/dbraw/zinc/31/14/94/654311494.db2.gz VXTWYHXADYCHPN-BDJLRTHQSA-N 1 0 391.273 2.375 20 0 GEADRO [NH3+]C1(CNC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC1 ZINC000904458224 654311680 /nfs/dbraw/zinc/31/16/80/654311680.db2.gz CLWNQLXHSVKBPE-UHFFFAOYSA-N 1 0 381.274 2.298 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904461674 654311705 /nfs/dbraw/zinc/31/17/05/654311705.db2.gz MHEDUYNQOOJUQK-BITCUVMXSA-N 1 0 386.221 2.389 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc2c(Br)ccnc12 ZINC000904494667 654312608 /nfs/dbraw/zinc/31/26/08/654312608.db2.gz PBVGFTQPORNVGF-LLVKDONJSA-N 1 0 379.258 2.449 20 0 GEADRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCc2nnc(SC)s2)c1 ZINC000891832130 654313385 /nfs/dbraw/zinc/31/33/85/654313385.db2.gz QNNKKRVKXOITOQ-ZDUSSCGKSA-N 1 0 379.511 2.125 20 0 GEADRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCc2nnc(SC)s2)c1 ZINC000891832129 654313411 /nfs/dbraw/zinc/31/34/11/654313411.db2.gz QNNKKRVKXOITOQ-CYBMUJFWSA-N 1 0 379.511 2.125 20 0 GEADRO Cn1c(C(=O)N2CCN(C)C[C@H]2C[NH3+])ccc1-c1ccccc1Br ZINC000834298955 654313807 /nfs/dbraw/zinc/31/38/07/654313807.db2.gz FNEBGIRWMASABS-CYBMUJFWSA-N 1 0 391.313 2.170 20 0 GEADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000872120899 654313972 /nfs/dbraw/zinc/31/39/72/654313972.db2.gz WGKVUVXVAQDYHU-ZKXZWOTCSA-N 1 0 379.469 2.299 20 0 GEADRO Brc1cnn(Cc2noc([C@@H]3CC[NH2+][C@@H]([C@@H]4CCCO4)C3)n2)c1 ZINC000904619404 654314413 /nfs/dbraw/zinc/31/44/13/654314413.db2.gz ZRJXPOLKIFFNBY-RTXFEEFZSA-N 1 0 382.262 2.092 20 0 GEADRO [NH3+]C[C@H]1CN(CC(=O)NCCCSc2ccccc2)C[C@H]1C(F)(F)F ZINC000872147076 654314504 /nfs/dbraw/zinc/31/45/04/654314504.db2.gz CUXJHTDMBUEVJY-DZGCQCFKSA-N 1 0 375.460 2.354 20 0 GEADRO CCn1c(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)nc2cc(Br)ccc21 ZINC000891851237 654314743 /nfs/dbraw/zinc/31/47/43/654314743.db2.gz HFBMANSTOWXDQU-UMSPYCQHSA-N 1 0 380.290 2.355 20 0 GEADRO COc1ccc(Cc2noc([C@@H](N)C[NH+](C)C)n2)c(Br)c1OC ZINC000872177410 654315668 /nfs/dbraw/zinc/31/56/68/654315668.db2.gz JLZXRXVKOXKAIZ-JTQLQIEISA-N 1 0 385.262 2.002 20 0 GEADRO COc1nc(-c2noc([C@]34CC[NH2+][C@H]3CCCC4)n2)ncc1Br ZINC000904681447 654316115 /nfs/dbraw/zinc/31/61/15/654316115.db2.gz AMTHYAPLHYHGQS-ZUZCIYMTSA-N 1 0 380.246 2.471 20 0 GEADRO [NH3+][C@H](Cc1nc(CC(=O)N2CCCC2)no1)Cc1ccc(Br)cc1 ZINC000904681669 654316257 /nfs/dbraw/zinc/31/62/57/654316257.db2.gz MLBLFAVWNKUIRE-AWEZNQCLSA-N 1 0 393.285 2.110 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cn1 ZINC000891869140 654316299 /nfs/dbraw/zinc/31/62/99/654316299.db2.gz VNEDENSKYIGOHW-OCCSQVGLSA-N 1 0 397.317 2.363 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000872218484 654317433 /nfs/dbraw/zinc/31/74/33/654317433.db2.gz OLFUQMFTELBMHT-SUMWQHHRSA-N 1 0 389.309 2.231 20 0 GEADRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000872229136 654317991 /nfs/dbraw/zinc/31/79/91/654317991.db2.gz NEVFYFUTQSFJSQ-WFTWPBCJSA-N 1 0 384.270 2.120 20 0 GEADRO C[C@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)[C@@H]1OCCc2sccc21 ZINC000891916299 654318170 /nfs/dbraw/zinc/31/81/70/654318170.db2.gz XWJIBLPNCTVWOE-QFYYESIMSA-N 1 0 378.523 2.434 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000891923363 654318523 /nfs/dbraw/zinc/31/85/23/654318523.db2.gz FQSSQRKWZFGMAO-ROUUACIJSA-N 1 0 396.329 2.439 20 0 GEADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000872232175 654318617 /nfs/dbraw/zinc/31/86/17/654318617.db2.gz WONSJXYVKKPCPA-QWHCGFSZSA-N 1 0 385.448 2.477 20 0 GEADRO Cc1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Br)c1 ZINC000872254589 654319884 /nfs/dbraw/zinc/31/98/84/654319884.db2.gz AIWJQLRKLXCMNX-IMJJTQAJSA-N 1 0 380.286 2.124 20 0 GEADRO O=C(/C=C\c1ccc(Cl)s1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872252107 654319993 /nfs/dbraw/zinc/31/99/93/654319993.db2.gz POBAYEKNYBRUAD-GMNQABRKSA-N 1 0 381.885 2.198 20 0 GEADRO O=C1OC[C@@]2(C[NH2+]Cc3cccc(Cl)c3Br)COCCN12 ZINC000872261367 654320390 /nfs/dbraw/zinc/32/03/90/654320390.db2.gz NQCCOWLYHAQFGC-CQSZACIVSA-N 1 0 375.650 2.413 20 0 GEADRO C[C@@H](C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccc(Cl)s1 ZINC000872257881 654320503 /nfs/dbraw/zinc/32/05/03/654320503.db2.gz KSIXTNQACHFESL-RTXFEEFZSA-N 1 0 383.901 2.289 20 0 GEADRO CC1(C)CC[NH2+]CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000872293234 654321576 /nfs/dbraw/zinc/32/15/76/654321576.db2.gz LWLFQWBHCXTHNY-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO FC(F)(F)COCCC[NH+]1CCN(c2nc(Cl)nc3nc[nH]c32)CC1 ZINC000891985346 654322107 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CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000904969145 654325968 /nfs/dbraw/zinc/32/59/68/654325968.db2.gz AOZNUSCCTUFPNJ-KBXCAEBGSA-N 1 0 394.313 2.137 20 0 GEADRO Cc1sc(NC[C@H]2CCCS2)nc1-c1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000905015930 654326461 /nfs/dbraw/zinc/32/64/61/654326461.db2.gz XVBAANMRFVGCKE-QWHCGFSZSA-N 1 0 380.543 2.006 20 0 GEADRO COCC[N@H+](CCC(=O)OC)Cc1ccc(Br)cc1NC(C)=O ZINC000892045366 654326530 /nfs/dbraw/zinc/32/65/30/654326530.db2.gz WDUWWOXDSKNGRF-UHFFFAOYSA-N 1 0 387.274 2.419 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000834453605 654326743 /nfs/dbraw/zinc/32/67/43/654326743.db2.gz SVPOKGNUIBNXEF-STQMWFEESA-N 1 0 387.933 2.228 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892099488 654328336 /nfs/dbraw/zinc/32/83/36/654328336.db2.gz OLSNPWCOKCGPQA-GFCCVEGCSA-N 1 0 380.290 2.432 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 ZINC000905062217 654328588 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O=C(NCc1cc(C(F)(F)F)ccc1Br)NC[C@H]1C[NH2+]CCO1 ZINC000892188948 654333359 /nfs/dbraw/zinc/33/33/59/654333359.db2.gz KPEVLILBELGDIP-LLVKDONJSA-N 1 0 396.207 2.256 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2C)[C@H](C)C1 ZINC000805005778 654333521 /nfs/dbraw/zinc/33/35/21/654333521.db2.gz UESZKNARZITXEK-HIFRSBDPSA-N 1 0 389.949 2.459 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2C)[C@H](C)C1 ZINC000805005779 654333666 /nfs/dbraw/zinc/33/36/66/654333666.db2.gz UESZKNARZITXEK-UKRRQHHQSA-N 1 0 389.949 2.459 20 0 GEADRO C[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000853973301 654333807 /nfs/dbraw/zinc/33/38/07/654333807.db2.gz BWNZRCRGIZGTND-OLXKUKDPSA-N 1 0 383.480 2.250 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccc(Cl)c(Cl)c3)C2=O)n(C)n1 ZINC000905138899 654334090 /nfs/dbraw/zinc/33/40/90/654334090.db2.gz ZOPDRMXCLMAQPF-HUUCEWRRSA-N 1 0 383.279 2.464 20 0 GEADRO CCn1c(Br)c(Br)nc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000892250953 654336543 /nfs/dbraw/zinc/33/65/43/654336543.db2.gz GAGLSJNEDJVXOW-RKDXNWHRSA-N 1 0 378.112 2.079 20 0 GEADRO Cc1cc(Br)c2c(c1)CCN(C(=O)NCC1([NH3+])CCOCC1)C2 ZINC000892276127 654337907 /nfs/dbraw/zinc/33/79/07/654337907.db2.gz AORIIQRGMLBPNA-UHFFFAOYSA-N 1 0 382.302 2.333 20 0 GEADRO CS[C@H](C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(C)(C)C ZINC000905203164 654338662 /nfs/dbraw/zinc/33/86/62/654338662.db2.gz KKFVYGTXCIRNHD-ZIAGYGMSSA-N 1 0 380.620 2.355 20 0 GEADRO NS(=O)(=O)C1CCN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)CC1 ZINC000892308022 654339860 /nfs/dbraw/zinc/33/98/60/654339860.db2.gz BMRBUPHZLVKZIR-UHFFFAOYSA-N 1 0 375.372 2.391 20 0 GEADRO COc1cc(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1Cl ZINC000921912226 654340875 /nfs/dbraw/zinc/34/08/75/654340875.db2.gz WJIAQCQVHJPYLI-CQSZACIVSA-N 1 0 388.917 2.189 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000921912233 654340936 /nfs/dbraw/zinc/34/09/36/654340936.db2.gz WKQRXRXHGSYZDJ-HNFVBEJKSA-N 1 0 384.464 2.280 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)s1 ZINC000905232067 654341953 /nfs/dbraw/zinc/34/19/53/654341953.db2.gz WFKYXSDLIXNDFY-CYBMUJFWSA-N 1 0 380.491 2.162 20 0 GEADRO [NH3+]C1(Cc2nc(-c3ccc4ncc(I)n4c3)no2)CC1 ZINC000854153138 654342776 /nfs/dbraw/zinc/34/27/76/654342776.db2.gz LAGGFWJOJLKOIL-UHFFFAOYSA-N 1 0 381.177 2.023 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000834704256 654344373 /nfs/dbraw/zinc/34/43/73/654344373.db2.gz YUXYPMBKQGLVAQ-CYBMUJFWSA-N 1 0 385.917 2.081 20 0 GEADRO COCC[N@@H+]1CC[C@H](Nc2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000892414248 654345081 /nfs/dbraw/zinc/34/50/81/654345081.db2.gz QZFIZYBUVAHLNY-NSHDSACASA-N 1 0 397.321 2.476 20 0 GEADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000905274488 654347391 /nfs/dbraw/zinc/34/73/91/654347391.db2.gz TWCJJBPAPHWLLD-GOPBEWJXSA-N 1 0 382.328 2.395 20 0 GEADRO Cc1nc(SCC(C)C)sc1CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000854278340 654347361 /nfs/dbraw/zinc/34/73/61/654347361.db2.gz VAXZEFVLJFQYFM-UHFFFAOYSA-N 1 0 384.615 2.496 20 0 GEADRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC000905274747 654347434 /nfs/dbraw/zinc/34/74/34/654347434.db2.gz RJEDKNCBNQJMHC-KRWDZBQOSA-N 1 0 395.297 2.168 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000854306866 654349737 /nfs/dbraw/zinc/34/97/37/654349737.db2.gz KQNSKDYLVVSTND-RUZDIDTESA-N 1 0 383.480 2.205 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892524281 654349752 /nfs/dbraw/zinc/34/97/52/654349752.db2.gz LTGSHHWFKBCIDZ-KGLIPLIRSA-N 1 0 386.949 2.473 20 0 GEADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892524279 654349787 /nfs/dbraw/zinc/34/97/87/654349787.db2.gz LTGSHHWFKBCIDZ-KBPBESRZSA-N 1 0 386.949 2.473 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000834813064 654350087 /nfs/dbraw/zinc/35/00/87/654350087.db2.gz CMRMKSWAMYOLCS-GFCCVEGCSA-N 1 0 375.922 2.226 20 0 GEADRO C[C@@H]([NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000892528122 654350379 /nfs/dbraw/zinc/35/03/79/654350379.db2.gz PPWRZCZRQOIRAZ-RKDXNWHRSA-N 1 0 396.822 2.314 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000905332194 654350802 /nfs/dbraw/zinc/35/08/02/654350802.db2.gz WCCWIYJHCGRQCV-GOSISDBHSA-N 1 0 385.961 2.396 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc(Br)c1OC ZINC000892556000 654351196 /nfs/dbraw/zinc/35/11/96/654351196.db2.gz YLNMFHXVJCDEKD-GXTWGEPZSA-N 1 0 398.301 2.312 20 0 GEADRO COC[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000905339031 654351802 /nfs/dbraw/zinc/35/18/02/654351802.db2.gz MQQHNHFWWDCVPQ-OAHLLOKOSA-N 1 0 380.432 2.312 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)ccc1Cl ZINC000834831849 654352167 /nfs/dbraw/zinc/35/21/67/654352167.db2.gz STWVOFFJKNDLQE-NSHDSACASA-N 1 0 397.875 2.129 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)CCC1(O)CCC1)Cc1ccccc1Br ZINC000905366906 654353818 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CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC[C@@H]2CCCC2(F)F)CCC1 ZINC000905424141 654356343 /nfs/dbraw/zinc/35/63/43/654356343.db2.gz YLUCVMGSRZJYSK-UONOGXRCSA-N 1 0 382.517 2.403 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000905429574 654356707 /nfs/dbraw/zinc/35/67/07/654356707.db2.gz DXAJKFRWLSSYTL-FZMZJTMJSA-N 1 0 380.279 2.179 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000905433100 654357096 /nfs/dbraw/zinc/35/70/96/654357096.db2.gz VAOOUZQDDHMPLV-OLZOCXBDSA-N 1 0 382.309 2.290 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000905433101 654357136 /nfs/dbraw/zinc/35/71/36/654357136.db2.gz VAOOUZQDDHMPLV-QWHCGFSZSA-N 1 0 382.309 2.290 20 0 GEADRO C[C@]1(Br)C[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000892674044 654357234 /nfs/dbraw/zinc/35/72/34/654357234.db2.gz KWMFIWSYOGWXCJ-IGCXYCKISA-N 1 0 383.286 2.074 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]Cc2cc(O)ccc2Cl)CCC1 ZINC000905438106 654357412 /nfs/dbraw/zinc/35/74/12/654357412.db2.gz POAPMANERNJBLU-OAHLLOKOSA-N 1 0 390.933 2.137 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000905449325 654358288 /nfs/dbraw/zinc/35/82/88/654358288.db2.gz ZYBJPLOHNCVWRJ-VXGBXAGGSA-N 1 0 377.737 2.366 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(Br)n2)C1 ZINC000872503703 654358947 /nfs/dbraw/zinc/35/89/47/654358947.db2.gz RZJSTCNZLMCNLL-NSHDSACASA-N 1 0 376.320 2.243 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000835040955 654359178 /nfs/dbraw/zinc/35/91/78/654359178.db2.gz TYRJINBKOVUMTR-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000835044768 654359243 /nfs/dbraw/zinc/35/92/43/654359243.db2.gz FADQWEPPKNZPMI-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000905505111 654361694 /nfs/dbraw/zinc/36/16/94/654361694.db2.gz NEQOZLKNQRGWHI-SWHYSGLUSA-N 1 0 390.249 2.259 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)CCC1 ZINC000905522664 654363227 /nfs/dbraw/zinc/36/32/27/654363227.db2.gz YPPPHAMRFLTOPP-OAHLLOKOSA-N 1 0 376.469 2.228 20 0 GEADRO C[C@@H](NC(=S)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1cccs1 ZINC000905522361 654363250 /nfs/dbraw/zinc/36/32/50/654363250.db2.gz JLPWZDPSCAPGHD-CQSZACIVSA-N 1 0 380.583 2.489 20 0 GEADRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000892772852 654363753 /nfs/dbraw/zinc/36/37/53/654363753.db2.gz SCDMNACQFVJRBP-QILLFSRXSA-N 1 0 386.945 2.126 20 0 GEADRO CO[C@]1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCSC1 ZINC000905546144 654365043 /nfs/dbraw/zinc/36/50/43/654365043.db2.gz IUGNFDZFPOOIHG-AWEZNQCLSA-N 1 0 394.356 2.335 20 0 GEADRO CO[C@]1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCSC1 ZINC000905546569 654365072 /nfs/dbraw/zinc/36/50/72/654365072.db2.gz NJUJZDDIIYVEEG-ZFWWWQNUSA-N 1 0 376.316 2.301 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)n2)C1 ZINC000835152609 654366119 /nfs/dbraw/zinc/36/61/19/654366119.db2.gz MVDPSHFNDATCTP-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc(Br)c1 ZINC000905573706 654366968 /nfs/dbraw/zinc/36/69/68/654366968.db2.gz YCRJMHDIJJMNDU-GUTXKFCHSA-N 1 0 386.311 2.404 20 0 GEADRO CC(C)(C[NH2+]CCC(=O)Nc1ccc(Br)cc1)CS(C)(=O)=O ZINC000905577802 654367026 /nfs/dbraw/zinc/36/70/26/654367026.db2.gz GUOARXMEMAFWRH-UHFFFAOYSA-N 1 0 391.331 2.438 20 0 GEADRO Cc1cc(C[NH2+][C@@H](C)C(=O)NCCF)c(C)cc1I ZINC000922102973 654367453 /nfs/dbraw/zinc/36/74/53/654367453.db2.gz RRRIGSATGBMOLQ-NSHDSACASA-N 1 0 378.229 2.472 20 0 GEADRO COc1cc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cnc1Br ZINC000854571818 654367500 /nfs/dbraw/zinc/36/75/00/654367500.db2.gz YDKIAKZYGXQBRA-LBPRGKRZSA-N 1 0 398.301 2.178 20 0 GEADRO C[C@H](C[NH2+]C[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000905585115 654367716 /nfs/dbraw/zinc/36/77/16/654367716.db2.gz DAZJKRJKRWRSHT-RISCZKNCSA-N 1 0 388.452 2.341 20 0 GEADRO COC(=O)c1cn(CC[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)nn1 ZINC000922114466 654369006 /nfs/dbraw/zinc/36/90/06/654369006.db2.gz SYFOFFQAYIINNT-UHFFFAOYSA-N 1 0 396.220 2.237 20 0 GEADRO CCOC(=O)c1ncc(Br)c(NC[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000892891159 654369415 /nfs/dbraw/zinc/36/94/15/654369415.db2.gz AFWPTTLRUIWGGE-GFCCVEGCSA-N 1 0 385.306 2.228 20 0 GEADRO O[C@@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1ccc(Br)cc1 ZINC000905624202 654370881 /nfs/dbraw/zinc/37/08/81/654370881.db2.gz KMZPKSNHOZNYQT-SJORKVTESA-N 1 0 399.329 2.032 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000905669182 654373281 /nfs/dbraw/zinc/37/32/81/654373281.db2.gz YLMKLUZVJCTBQJ-OWCLPIDISA-N 1 0 385.551 2.422 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC[C@@H]2CCC(F)(F)C2)CCC1 ZINC000905675363 654373590 /nfs/dbraw/zinc/37/35/90/654373590.db2.gz OJLRXGUGLCBAPQ-UONOGXRCSA-N 1 0 382.517 2.403 20 0 GEADRO Cn1nnnc1CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000905684236 654373940 /nfs/dbraw/zinc/37/39/40/654373940.db2.gz VPHVZHYAIRFYPQ-CQSZACIVSA-N 1 0 388.697 2.056 20 0 GEADRO CCc1nnc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1 ZINC000892986706 654374406 /nfs/dbraw/zinc/37/44/06/654374406.db2.gz XPTQFHGNABKTPY-UHFFFAOYSA-N 1 0 380.539 2.185 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@H](O)COCc1cccs1)CCS2 ZINC000905694087 654375024 /nfs/dbraw/zinc/37/50/24/654375024.db2.gz FGXCQHUCCJCBRH-DGSCNEQVSA-N 1 0 385.551 2.433 20 0 GEADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1cc(Br)ccc1=O ZINC000893027303 654376633 /nfs/dbraw/zinc/37/66/33/654376633.db2.gz TWKFMAOURMHJNU-HIFRSBDPSA-N 1 0 384.318 2.332 20 0 GEADRO O=C(NCC[NH2+]Cc1ccnn1C1CCC1)c1ccc(Br)cn1 ZINC000922238712 654378037 /nfs/dbraw/zinc/37/80/37/654378037.db2.gz XMGVVDAGWKWGIH-UHFFFAOYSA-N 1 0 378.274 2.285 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(C(F)(F)Br)nc1 ZINC000854743134 654380378 /nfs/dbraw/zinc/38/03/78/654380378.db2.gz JFUSXYKQSLAVMW-GFCCVEGCSA-N 1 0 392.244 2.102 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@@H](O)CCC2(O)CCC2)nn1)c1ccc(Br)cc1 ZINC000905820858 654381656 /nfs/dbraw/zinc/38/16/56/654381656.db2.gz IVAFWNBZCZFUHN-GOEBONIOSA-N 1 0 395.301 2.145 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](C)C(OC)OC ZINC000922312541 654382616 /nfs/dbraw/zinc/38/26/16/654382616.db2.gz AGOLSFYCPJFAKO-QWRGUYRKSA-N 1 0 389.290 2.059 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](C)C(OC)OC ZINC000922312542 654382663 /nfs/dbraw/zinc/38/26/63/654382663.db2.gz AGOLSFYCPJFAKO-WDEREUQCSA-N 1 0 389.290 2.059 20 0 GEADRO CC(C)(C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)CS(N)(=O)=O ZINC000922317496 654383115 /nfs/dbraw/zinc/38/31/15/654383115.db2.gz OQMWROQNCMEIRT-UHFFFAOYSA-N 1 0 392.294 2.474 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000835367302 654384027 /nfs/dbraw/zinc/38/40/27/654384027.db2.gz TYDICLSSAXSCAL-UHFFFAOYSA-N 1 0 397.317 2.473 20 0 GEADRO COC(=O)CCN1CC[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)C1=O ZINC000905854476 654384945 /nfs/dbraw/zinc/38/49/45/654384945.db2.gz WMFWSHZHBSENKF-KGLIPLIRSA-N 1 0 397.269 2.026 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000893138890 654384984 /nfs/dbraw/zinc/38/49/84/654384984.db2.gz KYTMHJIRASTMES-QEJZJMRPSA-N 1 0 379.444 2.269 20 0 GEADRO COC(=O)CCN1CC[C@@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)C1=O ZINC000905854480 654385037 /nfs/dbraw/zinc/38/50/37/654385037.db2.gz WMFWSHZHBSENKF-ZIAGYGMSSA-N 1 0 397.269 2.026 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000872662109 654386752 /nfs/dbraw/zinc/38/67/52/654386752.db2.gz BQWXHKDKBGRFPV-KGLIPLIRSA-N 1 0 389.315 2.315 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1Br ZINC000872666557 654387752 /nfs/dbraw/zinc/38/77/52/654387752.db2.gz VTZKOAZDCRPRCY-KBPBESRZSA-N 1 0 389.315 2.315 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1Br ZINC000872666659 654388190 /nfs/dbraw/zinc/38/81/90/654388190.db2.gz XVZZJRQRYRBTTO-OLZOCXBDSA-N 1 0 377.279 2.445 20 0 GEADRO O[C@@H](C[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)CC1(O)CCCC1 ZINC000905917997 654390752 /nfs/dbraw/zinc/39/07/52/654390752.db2.gz FREWLJGHSVIHBO-OLZOCXBDSA-N 1 0 378.296 2.379 20 0 GEADRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)[nH]1 ZINC000922407871 654391036 /nfs/dbraw/zinc/39/10/36/654391036.db2.gz SSUWRFKEGXHGGT-IAQYHMDHSA-N 1 0 384.889 2.037 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000922417306 654391337 /nfs/dbraw/zinc/39/13/37/654391337.db2.gz AMWVAXTYDHYBHX-UHFFFAOYSA-N 1 0 393.958 2.437 20 0 GEADRO COc1cc(NC(=O)c2cc(Br)[nH]n2)ccc1OCC[NH+](C)C ZINC000854956973 654391428 /nfs/dbraw/zinc/39/14/28/654391428.db2.gz BQAFCDGOYDMVIZ-UHFFFAOYSA-N 1 0 383.246 2.374 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(SC(F)(F)F)c2)CC1=O ZINC000855015067 654394132 /nfs/dbraw/zinc/39/41/32/654394132.db2.gz XELUQBSPBWTIIZ-UHFFFAOYSA-N 1 0 375.416 2.145 20 0 GEADRO O[C@@H](C[NH2+]CC1(Cc2ccc(Br)cc2)CC1)C[C@@]1(O)CCOC1 ZINC000905961836 654394823 /nfs/dbraw/zinc/39/48/23/654394823.db2.gz DKESNYAHMJPBTP-AEFFLSMTSA-N 1 0 384.314 2.264 20 0 GEADRO COCC[C@@H](C[NH2+]Cc1cn(C)nc1Br)NC(=O)OC(C)(C)C ZINC000922466788 654395591 /nfs/dbraw/zinc/39/55/91/654395591.db2.gz RCEKVLOKDZIRNO-LBPRGKRZSA-N 1 0 391.310 2.202 20 0 GEADRO Cn1ncc(C(F)(F)F)c1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000922469178 654395922 /nfs/dbraw/zinc/39/59/22/654395922.db2.gz DHTPHIURUANASD-UHFFFAOYSA-N 1 0 382.452 2.169 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1csc(I)n1 ZINC000855162849 654399028 /nfs/dbraw/zinc/39/90/28/654399028.db2.gz OEOAWOQPIUUZRO-MRVPVSSYSA-N 1 0 379.267 2.350 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN([S@](C)(=N)=O)CC1)c1ccsc1 ZINC000872826546 654399080 /nfs/dbraw/zinc/39/90/80/654399080.db2.gz XHPQHQWJYBFJSG-MQNRADLISA-N 1 0 387.575 2.050 20 0 GEADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccnc1Br ZINC000855200490 654399672 /nfs/dbraw/zinc/39/96/72/654399672.db2.gz CIVXSLWVKAQRRW-UHFFFAOYSA-N 1 0 382.302 2.465 20 0 GEADRO Cn1cc([C@@H]2CSCCCN2C(=O)NC[C@@]2([NH+](C)C)CCSC2)cn1 ZINC000893411401 654400026 /nfs/dbraw/zinc/40/00/26/654400026.db2.gz FTCVRGSZGMFXLT-RDJZCZTQSA-N 1 0 383.587 2.047 20 0 GEADRO C[C@H]1CN(C(=O)c2nn3c(c2Br)CCC3)CCN1c1cc[nH+]cc1 ZINC000893447084 654402425 /nfs/dbraw/zinc/40/24/25/654402425.db2.gz SSTUPBYPCWJRNJ-LBPRGKRZSA-N 1 0 390.285 2.338 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1OC ZINC000922615139 654403779 /nfs/dbraw/zinc/40/37/79/654403779.db2.gz KSGLXZDGUJSLMF-QGZVFWFLSA-N 1 0 391.917 2.431 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCS(=O)(=O)C1 ZINC000922619004 654404226 /nfs/dbraw/zinc/40/42/26/654404226.db2.gz KPRNMLKKXDDSPK-CQSZACIVSA-N 1 0 385.379 2.060 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NC[C@@]1(C)CC1(Cl)Cl)C2 ZINC000922709375 654408707 /nfs/dbraw/zinc/40/87/07/654408707.db2.gz MDYOVWFRHKKQCU-QUEVPRLRSA-N 1 0 378.344 2.349 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000855289037 654410457 /nfs/dbraw/zinc/41/04/57/654410457.db2.gz NEEIANLUEMHOKR-GFCCVEGCSA-N 1 0 393.289 2.027 20 0 GEADRO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000906062274 654411419 /nfs/dbraw/zinc/41/14/19/654411419.db2.gz XUWGRVGMRUSPTG-XMMPIXPASA-N 1 0 389.543 2.326 20 0 GEADRO Fc1cccc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1I ZINC000873044873 654411912 /nfs/dbraw/zinc/41/19/12/654411912.db2.gz XQMSSORSGFZAJA-QWHCGFSZSA-N 1 0 390.240 2.383 20 0 GEADRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1cccc(F)c1I ZINC000873079715 654413295 /nfs/dbraw/zinc/41/32/95/654413295.db2.gz YZWOMRXEWIONDM-VIFPVBQESA-N 1 0 385.242 2.343 20 0 GEADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000873101817 654415283 /nfs/dbraw/zinc/41/52/83/654415283.db2.gz YXSCMIYUFNXPDI-LBPRGKRZSA-N 1 0 386.279 2.207 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C ZINC000873108154 654415951 /nfs/dbraw/zinc/41/59/51/654415951.db2.gz UPRKHITYMXKYEG-WDEREUQCSA-N 1 0 377.794 2.491 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cccc(F)c2I)C1 ZINC000873126261 654416856 /nfs/dbraw/zinc/41/68/56/654416856.db2.gz CIPLBAPIUMDDOL-SNVBAGLBSA-N 1 0 397.253 2.345 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922850185 654416866 /nfs/dbraw/zinc/41/68/66/654416866.db2.gz JBCBBCOAXMMVOK-YHWZYXNKSA-N 1 0 375.288 2.051 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000855416842 654418519 /nfs/dbraw/zinc/41/85/19/654418519.db2.gz BZLYFPKJJFJQAU-UHFFFAOYSA-N 1 0 388.354 2.014 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1Br ZINC000873154883 654418804 /nfs/dbraw/zinc/41/88/04/654418804.db2.gz JGBOAAGVMVRTJK-DYEKYZERSA-N 1 0 389.315 2.144 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)c2nscc2I)C1 ZINC000906172852 654420060 /nfs/dbraw/zinc/42/00/60/654420060.db2.gz NDDFJCZLXCSAJR-VIFPVBQESA-N 1 0 379.267 2.209 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)C(F)(F)c1ncccc1Br ZINC000906214497 654421994 /nfs/dbraw/zinc/42/19/94/654421994.db2.gz FKPVQEPXKSTYKX-UHFFFAOYSA-N 1 0 392.244 2.165 20 0 GEADRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1c(I)cnn1C ZINC000873276010 654423615 /nfs/dbraw/zinc/42/36/15/654423615.db2.gz MCHUZZFVIISCPA-BXUZGUMPSA-N 1 0 384.265 2.073 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nscc1I ZINC000906241360 654423661 /nfs/dbraw/zinc/42/36/61/654423661.db2.gz UUHPOWLRJVSNOY-RKDXNWHRSA-N 1 0 377.251 2.104 20 0 GEADRO C[NH+](C)C1(CNC(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000923001050 654424068 /nfs/dbraw/zinc/42/40/68/654424068.db2.gz YMRATLTWIBQFLF-UHFFFAOYSA-N 1 0 376.320 2.109 20 0 GEADRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(I)s2)C12CCOCC2 ZINC000923019649 654425129 /nfs/dbraw/zinc/42/51/29/654425129.db2.gz MLDYVAGQXIIUGO-WDEREUQCSA-N 1 0 379.263 2.372 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000873332153 654425156 /nfs/dbraw/zinc/42/51/56/654425156.db2.gz GUNICVMCRPDPBZ-CHWFTXMASA-N 1 0 377.329 2.265 20 0 GEADRO C[C@H](CNC(=O)c1nscc1I)C[NH+]1CCCC1 ZINC000906317777 654427277 /nfs/dbraw/zinc/42/72/77/654427277.db2.gz DSFBVIYMZWNLDZ-SECBINFHSA-N 1 0 379.267 2.209 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1I ZINC000893870145 654427877 /nfs/dbraw/zinc/42/78/77/654427877.db2.gz TXWQEUFRJFWLFQ-JTQLQIEISA-N 1 0 390.269 2.067 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000893870645 654428520 /nfs/dbraw/zinc/42/85/20/654428520.db2.gz BRQABUBVMBCISH-AWEZNQCLSA-N 1 0 383.290 2.171 20 0 GEADRO Cn1ncc(I)c1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000893980777 654435579 /nfs/dbraw/zinc/43/55/79/654435579.db2.gz NHWNTMHXLNXVJP-UHFFFAOYSA-N 1 0 383.233 2.331 20 0 GEADRO CN(CCC(=O)NCC(=O)c1ccc(Br)cn1)c1cc[nH+]cc1 ZINC000923251393 654438425 /nfs/dbraw/zinc/43/84/25/654438425.db2.gz PEMRRFOMIJMUQB-UHFFFAOYSA-N 1 0 377.242 2.065 20 0 GEADRO C[NH+](C)CCOc1ccccc1CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000906451341 654438463 /nfs/dbraw/zinc/43/84/63/654438463.db2.gz ACBIEHWXBCFUQC-CYBMUJFWSA-N 1 0 383.703 2.364 20 0 GEADRO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000906454148 654439129 /nfs/dbraw/zinc/43/91/29/654439129.db2.gz BVXXXYHHTLLVSZ-UKRRQHHQSA-N 1 0 382.302 2.214 20 0 GEADRO CO[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)s1 ZINC000906458826 654440095 /nfs/dbraw/zinc/44/00/95/654440095.db2.gz HXKRDNCZSCYWCU-WDMOLILDSA-N 1 0 389.315 2.178 20 0 GEADRO Cn1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(Br)n1 ZINC000923295183 654442331 /nfs/dbraw/zinc/44/23/31/654442331.db2.gz WBJPYLCMQOOHOC-ZDUSSCGKSA-N 1 0 384.322 2.389 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2c(I)cnn2C)[C@@H](C)C1 ZINC000894049622 654442546 /nfs/dbraw/zinc/44/25/46/654442546.db2.gz IBESKTMFOBVMIF-AAEUAGOBSA-N 1 0 376.286 2.187 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000923312863 654443206 /nfs/dbraw/zinc/44/32/06/654443206.db2.gz RGBGNIOPQXXIQM-JKSUJKDBSA-N 1 0 394.313 2.264 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1cccc(Br)c1 ZINC000923316698 654443532 /nfs/dbraw/zinc/44/35/32/654443532.db2.gz MVVBOOFSALVANT-GVDBMIGSSA-N 1 0 394.313 2.321 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@H]1OC ZINC000894074542 654444518 /nfs/dbraw/zinc/44/45/18/654444518.db2.gz RZLRYDIJJWTIBM-GZBFAFLISA-N 1 0 381.416 2.391 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873651789 654444809 /nfs/dbraw/zinc/44/48/09/654444809.db2.gz WGEZDDJWOCWBKA-UHFFFAOYSA-N 1 0 398.301 2.171 20 0 GEADRO Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000923355207 654445948 /nfs/dbraw/zinc/44/59/48/654445948.db2.gz HPOVJIKCGKLPLT-DZGCQCFKSA-N 1 0 385.295 2.113 20 0 GEADRO O=C(c1cnnn1-c1ccccc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000906521836 654446278 /nfs/dbraw/zinc/44/62/78/654446278.db2.gz FGHAKQPTQMUQEU-CYBMUJFWSA-N 1 0 390.285 2.340 20 0 GEADRO O=C(NCc1cnc(Br)cn1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000923356605 654446434 /nfs/dbraw/zinc/44/64/34/654446434.db2.gz SZUKEDTTZJUIKU-HNNXBMFYSA-N 1 0 390.285 2.313 20 0 GEADRO CC(C)(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)c1ccc(Br)cc1 ZINC000894116196 654448009 /nfs/dbraw/zinc/44/80/09/654448009.db2.gz DSDXPFBTPYWYQK-KRWDZBQOSA-N 1 0 380.286 2.401 20 0 GEADRO Cn1ncc(I)c1CNCC1([NH+](C)C)CCCCC1 ZINC000894139404 654449612 /nfs/dbraw/zinc/44/96/12/654449612.db2.gz CZNXBDAUPFRWTM-UHFFFAOYSA-N 1 0 376.286 2.379 20 0 GEADRO OCC[NH2+][C@H]1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000923404391 654450149 /nfs/dbraw/zinc/45/01/49/654450149.db2.gz ITLXGJYDQMTUHF-AWEZNQCLSA-N 1 0 381.274 2.045 20 0 GEADRO COC(=O)CC1([NH2+]Cc2cn(C)nc2I)CCCCC1 ZINC000894141468 654450190 /nfs/dbraw/zinc/45/01/90/654450190.db2.gz SXLOTOQOUPQIJE-UHFFFAOYSA-N 1 0 391.253 2.380 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccn2ncc(Br)c12 ZINC000906579186 654450277 /nfs/dbraw/zinc/45/02/77/654450277.db2.gz AAZIWVSAWUTZGC-ZDUSSCGKSA-N 1 0 395.301 2.280 20 0 GEADRO OCC[NH2+][C@@H]1CCCN(Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000923406249 654450672 /nfs/dbraw/zinc/45/06/72/654450672.db2.gz DOOGBZQFNAFSIH-LLVKDONJSA-N 1 0 387.303 2.107 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCS(=O)(=O)c1cccc(Br)c1 ZINC000923441956 654453795 /nfs/dbraw/zinc/45/37/95/654453795.db2.gz NOQNNZKUFOIZSO-FRRDWIJNSA-N 1 0 375.332 2.294 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2)C(C)C ZINC000873718771 654454200 /nfs/dbraw/zinc/45/42/00/654454200.db2.gz TXFIBGKBCDVYHY-UHFFFAOYSA-N 1 0 398.301 2.169 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCNCC[NH2+]CC1 ZINC000923465196 654454654 /nfs/dbraw/zinc/45/46/54/654454654.db2.gz WVZHGTGTLKJZSO-LLVKDONJSA-N 1 0 378.826 2.181 20 0 GEADRO Cn1cc(CNCC[N@H+](C)Cc2ccccc2)c(I)n1 ZINC000894200750 654455101 /nfs/dbraw/zinc/45/51/01/654455101.db2.gz QVQBCGGFTFNQQK-UHFFFAOYSA-N 1 0 384.265 2.246 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000873732146 654455948 /nfs/dbraw/zinc/45/59/48/654455948.db2.gz JUSIZELWCZDEMI-GWCFXTLKSA-N 1 0 396.285 2.189 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000894209469 654456192 /nfs/dbraw/zinc/45/61/92/654456192.db2.gz SISSAKVVLHPOKO-UHFFFAOYSA-N 1 0 381.274 2.416 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)c1 ZINC000873738072 654456708 /nfs/dbraw/zinc/45/67/08/654456708.db2.gz WDSCNZJLESTWLX-NSHDSACASA-N 1 0 396.285 2.191 20 0 GEADRO C[NH+](C)CCc1ccc(C(=O)N2CCn3ncc(Br)c3C2)cc1 ZINC000856013316 654457444 /nfs/dbraw/zinc/45/74/44/654457444.db2.gz NGFSHWHPRBISLM-UHFFFAOYSA-N 1 0 377.286 2.406 20 0 GEADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c(I)cnn1C ZINC000894259013 654460582 /nfs/dbraw/zinc/46/05/82/654460582.db2.gz OXZQHNGOGXJWQC-BXUZGUMPSA-N 1 0 385.249 2.279 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000894278881 654461464 /nfs/dbraw/zinc/46/14/64/654461464.db2.gz UXVJZDBUKSBGAS-AWEZNQCLSA-N 1 0 377.270 2.446 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2ccc(Cn3cc(Cl)cn3)s2)CCOCC1 ZINC000906696360 654461613 /nfs/dbraw/zinc/46/16/13/654461613.db2.gz FSDWUOQDKZBYLB-UHFFFAOYSA-N 1 0 382.917 2.487 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000906701177 654462441 /nfs/dbraw/zinc/46/24/41/654462441.db2.gz NKXKRRQKRJQSHP-NSHDSACASA-N 1 0 392.656 2.294 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000923531313 654462728 /nfs/dbraw/zinc/46/27/28/654462728.db2.gz RFRROELLMNVFGQ-CQSZACIVSA-N 1 0 382.306 2.399 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@H](O)C(Cl)(Cl)Cl)[C@@H](C)C1 ZINC000906710011 654463437 /nfs/dbraw/zinc/46/34/37/654463437.db2.gz HMHPPRMMJDASEQ-AVGNSLFASA-N 1 0 389.751 2.361 20 0 GEADRO Cc1cc([C@](C)(O)C[NH2+]Cc2cn(C)nc2I)c(C)o1 ZINC000894305912 654463469 /nfs/dbraw/zinc/46/34/69/654463469.db2.gz WYDDJYYTVPDJAM-CQSZACIVSA-N 1 0 389.237 2.232 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906715395 654463824 /nfs/dbraw/zinc/46/38/24/654463824.db2.gz QAWBUDXLOOZIIV-UHFFFAOYSA-N 1 0 384.249 2.175 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000906715240 654463868 /nfs/dbraw/zinc/46/38/68/654463868.db2.gz MWTSSQMYXDMMRI-UHFFFAOYSA-N 1 0 396.285 2.045 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c1F ZINC000906715955 654463915 /nfs/dbraw/zinc/46/39/15/654463915.db2.gz DCYNYHYZOFHAKW-UHFFFAOYSA-N 1 0 398.276 2.484 20 0 GEADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1c(I)cnn1C ZINC000894310450 654464276 /nfs/dbraw/zinc/46/42/76/654464276.db2.gz RYGIZDIEISGDAJ-VIFPVBQESA-N 1 0 387.269 2.096 20 0 GEADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000906735910 654465997 /nfs/dbraw/zinc/46/59/97/654465997.db2.gz RABNKTBZEKBMRQ-JTQLQIEISA-N 1 0 390.228 2.314 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)cc1Br ZINC000906741378 654466958 /nfs/dbraw/zinc/46/69/58/654466958.db2.gz ZZYDCIGWJIRYEP-ZDUSSCGKSA-N 1 0 398.301 2.435 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000873814638 654468465 /nfs/dbraw/zinc/46/84/65/654468465.db2.gz IIZHXGZUJAMLID-UHFFFAOYSA-N 1 0 384.274 2.000 20 0 GEADRO C[C@@H]([NH2+]Cc1c(I)cnn1C)[C@H](O)Cc1ccccc1 ZINC000894357848 654468767 /nfs/dbraw/zinc/46/87/67/654468767.db2.gz BVSGQEZTZRUGAU-IAQYHMDHSA-N 1 0 385.249 2.106 20 0 GEADRO C[C@H]([NH2+]Cc1c(I)cnn1C)[C@@H](O)Cc1ccccc1 ZINC000894357849 654468996 /nfs/dbraw/zinc/46/89/96/654468996.db2.gz BVSGQEZTZRUGAU-NHYWBVRUSA-N 1 0 385.249 2.106 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)c(Br)c1 ZINC000906764555 654469080 /nfs/dbraw/zinc/46/90/80/654469080.db2.gz DOYQLTPFMYQNJZ-KRWDZBQOSA-N 1 0 380.286 2.359 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000894367914 654469783 /nfs/dbraw/zinc/46/97/83/654469783.db2.gz OHZKOLLOMXPEAS-CQSZACIVSA-N 1 0 389.212 2.161 20 0 GEADRO Cn1cc(C[NH2+][C@@H](CCO)C2CCCCC2)c(I)n1 ZINC000894367374 654469980 /nfs/dbraw/zinc/46/99/80/654469980.db2.gz KMBNVOBBWIPVRA-ZDUSSCGKSA-N 1 0 377.270 2.446 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)CCCC[NH+](C)C ZINC000873827862 654470107 /nfs/dbraw/zinc/47/01/07/654470107.db2.gz VLLKZEQUEVIYSN-UHFFFAOYSA-N 1 0 386.290 2.196 20 0 GEADRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cn(C)nc1I ZINC000894371148 654470455 /nfs/dbraw/zinc/47/04/55/654470455.db2.gz WSQXYAUUZJBJOK-GXSJLCMTSA-N 1 0 375.210 2.220 20 0 GEADRO Cn1ncc(I)c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000894375023 654470940 /nfs/dbraw/zinc/47/09/40/654470940.db2.gz LWNAKVKKYKIOKP-CYBMUJFWSA-N 1 0 375.254 2.416 20 0 GEADRO Cn1cc(C[NH2+]CCc2cn3ccccc3n2)c(I)n1 ZINC000894385590 654472211 /nfs/dbraw/zinc/47/22/11/654472211.db2.gz UNSPFBDACICIPX-UHFFFAOYSA-N 1 0 381.221 2.005 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906791693 654472792 /nfs/dbraw/zinc/47/27/92/654472792.db2.gz KWFZXUKCLVECQV-XHDPSFHLSA-N 1 0 382.302 2.358 20 0 GEADRO CN(C(=O)c1cnnn1-c1ccccc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000906796933 654473215 /nfs/dbraw/zinc/47/32/15/654473215.db2.gz DYPVHJYSWAGVRY-LBPRGKRZSA-N 1 0 378.274 2.196 20 0 GEADRO O=C(c1ccc(C(F)(F)F)nc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856253113 654473251 /nfs/dbraw/zinc/47/32/51/654473251.db2.gz FWVDLGQAKXGSME-NSHDSACASA-N 1 0 377.794 2.425 20 0 GEADRO O=S(=O)(c1occc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923645992 654473415 /nfs/dbraw/zinc/47/34/15/654473415.db2.gz QSSFRUYCWUHVKJ-NEPJUHHUSA-N 1 0 377.304 2.442 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2occc2Br)CC[C@H]1C(F)(F)F ZINC000923660958 654474141 /nfs/dbraw/zinc/47/41/41/654474141.db2.gz HBVQGDDQAOCOKS-HTQZYQBOSA-N 1 0 391.209 2.190 20 0 GEADRO O=S(=O)(c1ccccc1)C1CC([NH2+]CCn2cc(Br)cn2)C1 ZINC000894426294 654474971 /nfs/dbraw/zinc/47/49/71/654474971.db2.gz KJOKDEDVPUWMFT-UHFFFAOYSA-N 1 0 384.299 2.240 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCc3cnc(Cl)s3)C2)[C@@H]1C(C)C ZINC000923678765 654475386 /nfs/dbraw/zinc/47/53/86/654475386.db2.gz APQOPTBGAMTKOQ-VWPFQQQWSA-N 1 0 386.949 2.466 20 0 GEADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000923684347 654476365 /nfs/dbraw/zinc/47/63/65/654476365.db2.gz WYOFECRGOSPDJF-UHFFFAOYSA-N 1 0 380.341 2.347 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923694246 654477937 /nfs/dbraw/zinc/47/79/37/654477937.db2.gz BPKKAUHALFHGAH-NSHDSACASA-N 1 0 377.304 2.207 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@H](CC[NH3+])C2)cc1Br ZINC000923697365 654478351 /nfs/dbraw/zinc/47/83/51/654478351.db2.gz NOZMZYBWANITNO-NSHDSACASA-N 1 0 377.304 2.207 20 0 GEADRO Cc1ccc(NCc2nc(Br)nn2C)cc1NC(=O)CC[NH+](C)C ZINC000894474099 654479187 /nfs/dbraw/zinc/47/91/87/654479187.db2.gz MYRKRORTULVCJY-UHFFFAOYSA-N 1 0 395.305 2.388 20 0 GEADRO Cn1cc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c(I)n1 ZINC000894475147 654479303 /nfs/dbraw/zinc/47/93/03/654479303.db2.gz KURILIAXGXYMJT-GXTWGEPZSA-N 1 0 375.254 2.320 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923702410 654479351 /nfs/dbraw/zinc/47/93/51/654479351.db2.gz KXSAFACGGYBCIR-KBPBESRZSA-N 1 0 390.933 2.361 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC000923704091 654479707 /nfs/dbraw/zinc/47/97/07/654479707.db2.gz RMPVEDYHDSPGSK-JQWIXIFHSA-N 1 0 389.315 2.257 20 0 GEADRO C[C@@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000894500833 654481193 /nfs/dbraw/zinc/48/11/93/654481193.db2.gz WZAUKBXCYHTVQF-LLVKDONJSA-N 1 0 379.452 2.112 20 0 GEADRO Cc1nc(Br)sc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856430715 654481233 /nfs/dbraw/zinc/48/12/33/654481233.db2.gz LARKXDFQZUWFPN-LLVKDONJSA-N 1 0 376.320 2.397 20 0 GEADRO O=S(=O)(c1cc(F)ccc1Br)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923735665 654481915 /nfs/dbraw/zinc/48/19/15/654481915.db2.gz KZZIWENXZGWEIN-AWEZNQCLSA-N 1 0 377.279 2.495 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)c1 ZINC000923745322 654482564 /nfs/dbraw/zinc/48/25/64/654482564.db2.gz MKQQSVQGULUNGT-LBPRGKRZSA-N 1 0 380.491 2.251 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)C1 ZINC000906880824 654482594 /nfs/dbraw/zinc/48/25/94/654482594.db2.gz GUVVDMLTBIWJRY-NEPJUHHUSA-N 1 0 375.724 2.067 20 0 GEADRO Cc1cc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)sn1 ZINC000923745717 654482714 /nfs/dbraw/zinc/48/27/14/654482714.db2.gz WIESTYBJJSAADO-ZIAGYGMSSA-N 1 0 379.507 2.123 20 0 GEADRO COc1ncccc1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000906887289 654482923 /nfs/dbraw/zinc/48/29/23/654482923.db2.gz LJNKZHNMDWYTCA-CQSZACIVSA-N 1 0 381.523 2.342 20 0 GEADRO C[NH+]1CCC(OCc2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)CC1 ZINC000923762481 654483029 /nfs/dbraw/zinc/48/30/29/654483029.db2.gz HEARGKXKCKYEOV-UHFFFAOYSA-N 1 0 385.873 2.308 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000873925701 654483508 /nfs/dbraw/zinc/48/35/08/654483508.db2.gz ZBQBVOHJBMKWSF-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000923794874 654483623 /nfs/dbraw/zinc/48/36/23/654483623.db2.gz GMJBQDIEEKKCMW-JTQLQIEISA-N 1 0 390.267 2.369 20 0 GEADRO C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1cccc(Br)c1 ZINC000923793862 654483831 /nfs/dbraw/zinc/48/38/31/654483831.db2.gz DAOQUEBCZFSIQD-GFCCVEGCSA-N 1 0 399.285 2.430 20 0 GEADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1c(I)cnn1C ZINC000894534082 654483716 /nfs/dbraw/zinc/48/37/16/654483716.db2.gz XRPUNKWPBGGBCG-ZDUSSCGKSA-N 1 0 385.249 2.026 20 0 GEADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cn(C)nc2I)cc1 ZINC000894533105 654483777 /nfs/dbraw/zinc/48/37/77/654483777.db2.gz PFBBJBFNGNHEKW-CQSZACIVSA-N 1 0 385.249 2.026 20 0 GEADRO CCn1c2ccc(Br)cc2nc1C[NH2+]C1CCS(=O)(=O)CC1 ZINC000894555908 654486310 /nfs/dbraw/zinc/48/63/10/654486310.db2.gz QDIHQSPJJWRRNM-UHFFFAOYSA-N 1 0 386.315 2.486 20 0 GEADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1nc(Br)nn1C ZINC000894566349 654486929 /nfs/dbraw/zinc/48/69/29/654486929.db2.gz MGESTMBBWKBNSA-WDEREUQCSA-N 1 0 388.310 2.313 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000894572034 654487436 /nfs/dbraw/zinc/48/74/36/654487436.db2.gz ARTZZOIFLAXITE-GFCCVEGCSA-N 1 0 383.233 2.377 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000873973590 654490098 /nfs/dbraw/zinc/49/00/98/654490098.db2.gz KWKJIXVSKJDSOD-JTQLQIEISA-N 1 0 392.258 2.032 20 0 GEADRO Brc1cnn(C2(c3nc(CC4=[NH+][C@@H]5CCCC[C@H]5N4)no3)CC2)c1 ZINC000923961226 654493918 /nfs/dbraw/zinc/49/39/18/654493918.db2.gz IBQLPGVEHHZDGH-VXGBXAGGSA-N 1 0 391.273 2.421 20 0 GEADRO COc1cc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc(OC)c1OCC(N)=O ZINC000856807085 654495124 /nfs/dbraw/zinc/49/51/24/654495124.db2.gz KTZBPQXMNDBDHK-LLVKDONJSA-N 1 0 377.268 2.241 20 0 GEADRO Cc1ccc(C[C@@H](CO)C[NH2+]C2CC(S(C)(=O)=O)C2)cc1Br ZINC000894750731 654497001 /nfs/dbraw/zinc/49/70/01/654497001.db2.gz LCVMULMZEQDTNF-WLYUNCDWSA-N 1 0 390.343 2.074 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@H]2COC(C)(C)O2)cc1Br ZINC000894751582 654497035 /nfs/dbraw/zinc/49/70/35/654497035.db2.gz WQTYOZDYRRELCF-KGLIPLIRSA-N 1 0 388.302 2.350 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(Cc3cnc(CC(F)(F)F)s3)CC2)CCN1 ZINC000894767674 654497956 /nfs/dbraw/zinc/49/79/56/654497956.db2.gz HGCGUZZMORKEFK-LBPRGKRZSA-N 1 0 376.448 2.034 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1CCS(=O)CC1 ZINC000894766982 654497978 /nfs/dbraw/zinc/49/79/78/654497978.db2.gz YDWMWEREAHDLSH-USKXDCILSA-N 1 0 390.343 2.109 20 0 GEADRO C[NH+]1CCC(CCNC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000856858136 654497999 /nfs/dbraw/zinc/49/79/99/654497999.db2.gz QZTHEGANMWIOMZ-UHFFFAOYSA-N 1 0 396.329 2.394 20 0 GEADRO Cn1cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c(I)n1 ZINC000894789217 654499643 /nfs/dbraw/zinc/49/96/43/654499643.db2.gz DGJIIUABCXBUFV-HOCLYGCPSA-N 1 0 397.260 2.281 20 0 GEADRO CC(C)[C@@H]([NH2+]Cc1c(I)cnn1C)C1(CO)CCC1 ZINC000894831616 654501842 /nfs/dbraw/zinc/50/18/42/654501842.db2.gz AYJAFTGSFRJRRY-CYBMUJFWSA-N 1 0 377.270 2.302 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3nscc3I)CC[C@H]21 ZINC000907037612 654502193 /nfs/dbraw/zinc/50/21/93/654502193.db2.gz OZGBLGOJUYPZEL-MWLCHTKSSA-N 1 0 391.278 2.304 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)oc1Cl ZINC000907037824 654502243 /nfs/dbraw/zinc/50/22/43/654502243.db2.gz DCHMHGHEBMJGPN-UHFFFAOYSA-N 1 0 390.845 2.065 20 0 GEADRO OC[C@@]1([C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C2CC2)CCCO1 ZINC000894866003 654503055 /nfs/dbraw/zinc/50/30/55/654503055.db2.gz CIPNJXXZXRHYDZ-RHSMWYFYSA-N 1 0 387.933 2.043 20 0 GEADRO Cc1c(Br)cc(-c2noc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c(=O)n1C ZINC000924171078 654503829 /nfs/dbraw/zinc/50/38/29/654503829.db2.gz OMXBTDZNDMWOED-ZWNOBZJWSA-N 1 0 395.257 2.042 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000894892808 654504349 /nfs/dbraw/zinc/50/43/49/654504349.db2.gz GDEKXIMYLAXPSK-YPMHNXCESA-N 1 0 379.931 2.046 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000894906905 654504735 /nfs/dbraw/zinc/50/47/35/654504735.db2.gz NCCXSEZPURQMLP-IUODEOHRSA-N 1 0 398.248 2.430 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000907059478 654505466 /nfs/dbraw/zinc/50/54/66/654505466.db2.gz LVCXDEBIMXYGQJ-ZDUSSCGKSA-N 1 0 383.703 2.404 20 0 GEADRO OCC[N@H+](Cc1sc(N2CCOCC2)nc1Cl)C1CCSCC1 ZINC000894925781 654505624 /nfs/dbraw/zinc/50/56/24/654505624.db2.gz CALHKCALTCTVOU-UHFFFAOYSA-N 1 0 377.963 2.323 20 0 GEADRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000894933330 654506416 /nfs/dbraw/zinc/50/64/16/654506416.db2.gz SLPQKQILNVNBSH-UHFFFAOYSA-N 1 0 377.304 2.322 20 0 GEADRO Cn1cc(C[NH2+]CC(C)(C)C2(O)CCCC2)c(I)n1 ZINC000894942445 654506978 /nfs/dbraw/zinc/50/69/78/654506978.db2.gz PZLDIYYXZQXMBJ-UHFFFAOYSA-N 1 0 377.270 2.446 20 0 GEADRO CCn1cc(Cl)cc1C(=O)N(CC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000907137911 654513740 /nfs/dbraw/zinc/51/37/40/654513740.db2.gz RRACNFYEXZKXKJ-OAHLLOKOSA-N 1 0 389.949 2.133 20 0 GEADRO C[NH+](C)C[C@@H]1NC(=O)N(C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1=O ZINC000924484090 654514182 /nfs/dbraw/zinc/51/41/82/654514182.db2.gz SOGAWBCKRSMRCC-NRPADANISA-N 1 0 375.313 2.378 20 0 GEADRO Cn1cc(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)c(Br)n1 ZINC000924548851 654516928 /nfs/dbraw/zinc/51/69/28/654516928.db2.gz BLVYILTVTXSSFG-UHFFFAOYSA-N 1 0 396.289 2.445 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)oc1Cl ZINC000907173301 654517365 /nfs/dbraw/zinc/51/73/65/654517365.db2.gz BPZYLOJDGKOUKO-UHFFFAOYSA-N 1 0 390.889 2.216 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCc1cn(C)nc1Br ZINC000924557613 654517717 /nfs/dbraw/zinc/51/77/17/654517717.db2.gz PNZDLJHVVOTMRI-KGLIPLIRSA-N 1 0 384.322 2.341 20 0 GEADRO C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924569591 654520362 /nfs/dbraw/zinc/52/03/62/654520362.db2.gz DEAQXUPZIWFJOS-ZDUSSCGKSA-N 1 0 376.469 2.480 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1nc(Br)ccc1F ZINC000924624874 654521749 /nfs/dbraw/zinc/52/17/49/654521749.db2.gz IWBKZCIHLIAMJV-SECBINFHSA-N 1 0 380.283 2.058 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1nc(Br)ccc1F ZINC000924624876 654521760 /nfs/dbraw/zinc/52/17/60/654521760.db2.gz IWBKZCIHLIAMJV-VIFPVBQESA-N 1 0 380.283 2.058 20 0 GEADRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cccc(Br)n2)CC1 ZINC000924651197 654522012 /nfs/dbraw/zinc/52/20/12/654522012.db2.gz QIMCRLTZESCIPP-ZDUSSCGKSA-N 1 0 383.334 2.485 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)C1(Br)CC1 ZINC000924678729 654522298 /nfs/dbraw/zinc/52/22/98/654522298.db2.gz GTCDGNLJYBCGKB-CQSZACIVSA-N 1 0 380.330 2.480 20 0 GEADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000907239535 654522737 /nfs/dbraw/zinc/52/27/37/654522737.db2.gz XMJSEERDKZQLFZ-MLGOLLRUSA-N 1 0 387.343 2.178 20 0 GEADRO O=C1[C@H]2Cc3c(Br)cccc3CN2C(=O)N1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924887397 654527748 /nfs/dbraw/zinc/52/77/48/654527748.db2.gz RZMIVKKXVNDWPQ-CZUORRHYSA-N 1 0 390.281 2.375 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N[C@H](CCO)c1ccccc1Br ZINC000907292644 654528240 /nfs/dbraw/zinc/52/82/40/654528240.db2.gz STKNRRJPZGUPKQ-OAHLLOKOSA-N 1 0 395.301 2.061 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)c2ncnn21 ZINC000924907009 654528697 /nfs/dbraw/zinc/52/86/97/654528697.db2.gz LKKHZHFOTCBLDG-RISCZKNCSA-N 1 0 378.274 2.456 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@H](C)n3ncnc32)s1 ZINC000924946547 654529630 /nfs/dbraw/zinc/52/96/30/654529630.db2.gz NWANVPMFYOHHOH-JSGCOSHPSA-N 1 0 383.543 2.208 20 0 GEADRO C[NH+](C)C[C@@H]1NC(=O)N([C@H]2CSCc3ccc(Br)cc32)C1=O ZINC000924984392 654530550 /nfs/dbraw/zinc/53/05/50/654530550.db2.gz SOKWFLBYHWSAOU-STQMWFEESA-N 1 0 384.299 2.219 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)CCOc1ccc(Cl)cc1Br ZINC000924989971 654530770 /nfs/dbraw/zinc/53/07/70/654530770.db2.gz WOMGSEUIRAOSRL-RYUDHWBXSA-N 1 0 391.693 2.053 20 0 GEADRO CON1CCC([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000925031833 654532054 /nfs/dbraw/zinc/53/20/54/654532054.db2.gz QOVRYSWMNGAKJO-UHFFFAOYSA-N 1 0 384.318 2.413 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1)C(F)(F)F ZINC000925039522 654532241 /nfs/dbraw/zinc/53/22/41/654532241.db2.gz HEMZASWANGRKQW-CABCVRRESA-N 1 0 384.464 2.343 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000907327539 654532359 /nfs/dbraw/zinc/53/23/59/654532359.db2.gz GFWDJTUICWGJEP-UHFFFAOYSA-N 1 0 388.917 2.270 20 0 GEADRO COc1ccc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000907329572 654532614 /nfs/dbraw/zinc/53/26/14/654532614.db2.gz XVPHHSAWAKKWOC-UHFFFAOYSA-N 1 0 388.917 2.270 20 0 GEADRO C[C@@H](CCNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1)[NH+]1CCCCC1 ZINC000907345577 654534090 /nfs/dbraw/zinc/53/40/90/654534090.db2.gz SKMCRYMKHJUKRL-LBPRGKRZSA-N 1 0 387.311 2.499 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000925158047 654535458 /nfs/dbraw/zinc/53/54/58/654535458.db2.gz BCMKPTGXQPURKG-NFAWXSAZSA-N 1 0 381.464 2.055 20 0 GEADRO CN(Cc1csc(C(C)(C)O)n1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925170134 654535709 /nfs/dbraw/zinc/53/57/09/654535709.db2.gz GPCSJGBLEKIFSQ-ZIAGYGMSSA-N 1 0 384.571 2.092 20 0 GEADRO CC[C@H]([NH2+][C@@H]1CCCc2ncc(Br)cc21)C(=O)N1CCOCC1 ZINC000925234800 654538532 /nfs/dbraw/zinc/53/85/32/654538532.db2.gz BWIVZNSCRORMDK-GOEBONIOSA-N 1 0 382.302 2.449 20 0 GEADRO CCOc1ccc([C@]2(C(=O)NC[C@]3(O)CC[N@H+](C)C3)CC2(Cl)Cl)cc1 ZINC000907389641 654538574 /nfs/dbraw/zinc/53/85/74/654538574.db2.gz SEZIFQSARYAZAM-SJORKVTESA-N 1 0 387.307 2.084 20 0 GEADRO CC[C@H]([NH2+][C@H]1CCCc2ncc(Br)cc21)C(=O)N1CCOCC1 ZINC000925234802 654538540 /nfs/dbraw/zinc/53/85/40/654538540.db2.gz BWIVZNSCRORMDK-HOCLYGCPSA-N 1 0 382.302 2.449 20 0 GEADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1CC[NH+]1CCSCC1 ZINC000925282716 654539727 /nfs/dbraw/zinc/53/97/27/654539727.db2.gz KNELFJZLKKEYRO-UHFFFAOYSA-N 1 0 398.326 2.262 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O ZINC000925294849 654539968 /nfs/dbraw/zinc/53/99/68/654539968.db2.gz VRRHAXFPQUQBHB-DOMZBBRYSA-N 1 0 378.270 2.232 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O ZINC000925294851 654540011 /nfs/dbraw/zinc/54/00/11/654540011.db2.gz VRRHAXFPQUQBHB-IUODEOHRSA-N 1 0 378.270 2.232 20 0 GEADRO CN1C(=O)N(C2CC[NH+](CCO)CC2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000925302884 654540660 /nfs/dbraw/zinc/54/06/60/654540660.db2.gz JWASRFYRTNZDKU-HNNXBMFYSA-N 1 0 386.279 2.385 20 0 GEADRO C[C@H]1[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000925331796 654541679 /nfs/dbraw/zinc/54/16/79/654541679.db2.gz HTTDDKRAYUAPDF-GXFFZTMASA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc2c1OCO2 ZINC000925395948 654544070 /nfs/dbraw/zinc/54/40/70/654544070.db2.gz JLLLEKPUSLBDQI-LLVKDONJSA-N 1 0 376.425 2.330 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C)ccc1Cl ZINC000925395821 654544080 /nfs/dbraw/zinc/54/40/80/654544080.db2.gz ZTPGMABHLPVLSO-ZDUSSCGKSA-N 1 0 388.921 2.196 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)Nc2nc3c(cccc3Br)[nH]2)cn1 ZINC000925629035 654547079 /nfs/dbraw/zinc/54/70/79/654547079.db2.gz KDTIJQQUJUQRGO-UHFFFAOYSA-N 1 0 377.246 2.336 20 0 GEADRO C[C@@H]([NH3+])[C@@H](NCCNC(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000925703873 654548438 /nfs/dbraw/zinc/54/84/38/654548438.db2.gz FUVBYFLKTGVCTD-MLGOLLRUSA-N 1 0 377.286 2.252 20 0 GEADRO Cc1cc([C@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)sc1Br ZINC000925788653 654549768 /nfs/dbraw/zinc/54/97/68/654549768.db2.gz LFBRGNRZDBRNBE-WDEREUQCSA-N 1 0 381.361 2.246 20 0 GEADRO Cc1cc([C@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)sc1Br ZINC000925788652 654549824 /nfs/dbraw/zinc/54/98/24/654549824.db2.gz LFBRGNRZDBRNBE-QWRGUYRKSA-N 1 0 381.361 2.246 20 0 GEADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000925801450 654550538 /nfs/dbraw/zinc/55/05/38/654550538.db2.gz WYLUGICTIMPLJW-GDBMZVCRSA-N 1 0 387.343 2.193 20 0 GEADRO C[C@@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000925859809 654551826 /nfs/dbraw/zinc/55/18/26/654551826.db2.gz SHWQFSCSAAFGLV-DOMZBBRYSA-N 1 0 379.448 2.272 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1Cl ZINC000926042970 654556722 /nfs/dbraw/zinc/55/67/22/654556722.db2.gz RFWVOMTYIVSILJ-GDBMZVCRSA-N 1 0 386.905 2.365 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000907549823 654557032 /nfs/dbraw/zinc/55/70/32/654557032.db2.gz WUPBARLGWVAKQZ-XHDPSFHLSA-N 1 0 389.315 2.030 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1Cl)N1CCNCC[NH2+]CC1 ZINC000926058959 654557034 /nfs/dbraw/zinc/55/70/34/654557034.db2.gz OSVLNCDTIKITKT-UHFFFAOYSA-N 1 0 379.661 2.268 20 0 GEADRO [NH3+][C@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC[C@H]1C(F)(F)F ZINC000926069402 654557638 /nfs/dbraw/zinc/55/76/38/654557638.db2.gz LPGPGCYUMBXJJH-RITPCOANSA-N 1 0 377.314 2.386 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000926099197 654559010 /nfs/dbraw/zinc/55/90/10/654559010.db2.gz SHOTXYWFCZNEIV-BXUZGUMPSA-N 1 0 378.274 2.423 20 0 GEADRO O=C(Nc1cc2ccccc2nc1Br)N1CCNCC[NH2+]CC1 ZINC000926104438 654559178 /nfs/dbraw/zinc/55/91/78/654559178.db2.gz KNSGSUCOZHPGGG-UHFFFAOYSA-N 1 0 378.274 2.024 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926131749 654560085 /nfs/dbraw/zinc/56/00/85/654560085.db2.gz CAXFUUNKEBEINV-CYBMUJFWSA-N 1 0 383.290 2.433 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000926135650 654560123 /nfs/dbraw/zinc/56/01/23/654560123.db2.gz DSCLHRWCLLCPEB-GFCCVEGCSA-N 1 0 383.290 2.433 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1nscc1Br)C2 ZINC000926139702 654560369 /nfs/dbraw/zinc/56/03/69/654560369.db2.gz CTPRKDYFZUNDJS-CVMIBZJCSA-N 1 0 388.331 2.115 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1sc(N(C)C)nc1Cl)C2 ZINC000926147867 654560944 /nfs/dbraw/zinc/56/09/44/654560944.db2.gz MUFHTZJRHLTMJP-BIMLSOSBSA-N 1 0 386.949 2.072 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926161990 654561987 /nfs/dbraw/zinc/56/19/87/654561987.db2.gz RVPMERIYFIZAEW-ZHCAMHROSA-N 1 0 396.329 2.362 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccnc(Br)c1)C2 ZINC000926169254 654562300 /nfs/dbraw/zinc/56/23/00/654562300.db2.gz JGQODTWLLMJJIS-LGWLGOQQSA-N 1 0 382.302 2.054 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000926209612 654563534 /nfs/dbraw/zinc/56/35/34/654563534.db2.gz NMKIJSKALQIAQH-GWOFURMSSA-N 1 0 377.329 2.123 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccnc(Br)c3)C2)[C@@H]1C(C)C ZINC000926251008 654564313 /nfs/dbraw/zinc/56/43/13/654564313.db2.gz OLJVVMYMUVPDEB-DEICHXMPSA-N 1 0 396.329 2.444 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cccnc3Br)C2)[C@@H]1C(C)C ZINC000926249456 654564454 /nfs/dbraw/zinc/56/44/54/654564454.db2.gz GRJURORQZQRBSZ-BSXFFOKHSA-N 1 0 396.329 2.444 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)CSCc3cscn3)C2)[C@@H]1C(C)C ZINC000926259707 654565007 /nfs/dbraw/zinc/56/50/07/654565007.db2.gz VRCFXLDIHDRFFB-XYVMCAHJSA-N 1 0 383.583 2.362 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cncc(Br)c3)C2)[C@H]1C(C)C ZINC000926268458 654565280 /nfs/dbraw/zinc/56/52/80/654565280.db2.gz IMHJTWPBPBPRKN-KONPQCLYSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000926300519 654567687 /nfs/dbraw/zinc/56/76/87/654567687.db2.gz QPSAZHWODGRYPT-UXIGCNINSA-N 1 0 380.286 2.201 20 0 GEADRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000926376608 654569858 /nfs/dbraw/zinc/56/98/58/654569858.db2.gz CBDPWOIGSQWZBS-HBYGRHMLSA-N 1 0 388.249 2.490 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H](Cc2ccc(F)cc2Cl)c2ccco2)C1 ZINC000926509421 654572799 /nfs/dbraw/zinc/57/27/99/654572799.db2.gz ZPHCVIAKGDQXRS-DOTOQJQBSA-N 1 0 387.860 2.495 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000926540255 654574000 /nfs/dbraw/zinc/57/40/00/654574000.db2.gz CXIAVQQRXKGZFV-SLEUVZQESA-N 1 0 395.301 2.496 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2cnn(C)n2)cc1Br ZINC000926539106 654574113 /nfs/dbraw/zinc/57/41/13/654574113.db2.gz UYQMVXHHRKFCRD-DGCLKSJQSA-N 1 0 383.290 2.088 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1cnn(C)n1 ZINC000926540330 654574131 /nfs/dbraw/zinc/57/41/31/654574131.db2.gz DWLKKNCMWGHGJH-NEPJUHHUSA-N 1 0 383.290 2.088 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926540343 654574387 /nfs/dbraw/zinc/57/43/87/654574387.db2.gz DWLKKNCMWGHGJH-RYUDHWBXSA-N 1 0 383.290 2.088 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCC1(OC)OC ZINC000926544191 654574827 /nfs/dbraw/zinc/57/48/27/654574827.db2.gz WMVFHDOEFNJMNJ-LRDDRELGSA-N 1 0 388.302 2.350 20 0 GEADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@H](O)c2cccc(Br)c2)CCCO1 ZINC000907755116 654575000 /nfs/dbraw/zinc/57/50/00/654575000.db2.gz HHITURFRFOFZIP-CZUORRHYSA-N 1 0 385.302 2.100 20 0 GEADRO O=C(NCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(Br)cn1 ZINC000926683550 654579996 /nfs/dbraw/zinc/57/99/96/654579996.db2.gz PWAMYFYKLDWLHA-CZUORRHYSA-N 1 0 382.302 2.369 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)C1(Br)CC1 ZINC000926682256 654580019 /nfs/dbraw/zinc/58/00/19/654580019.db2.gz DPAXWUSACZLLLZ-VIFPVBQESA-N 1 0 391.107 2.480 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cn2c(n1)CCCC2 ZINC000926683406 654580031 /nfs/dbraw/zinc/58/00/31/654580031.db2.gz OKHBJXZSEFUIMT-LBPRGKRZSA-N 1 0 392.301 2.458 20 0 GEADRO COc1ccnc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000926682701 654580054 /nfs/dbraw/zinc/58/00/54/654580054.db2.gz GSNRUIZQXFDHGQ-NSHDSACASA-N 1 0 379.258 2.328 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H](O)c1cccc(Br)c1 ZINC000907809081 654580465 /nfs/dbraw/zinc/58/04/65/654580465.db2.gz XCXQRPWRQRSRCV-CXAGYDPISA-N 1 0 397.313 2.194 20 0 GEADRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)C2(Br)CC2)N(c2cc(N(C)C)ncn2)C1 ZINC000926818738 654582849 /nfs/dbraw/zinc/58/28/49/654582849.db2.gz FKWPBARKGNJYPS-RDBSUJKOSA-N 1 0 398.349 2.042 20 0 GEADRO CCO[C@H](CNC(=O)Nc1ccccc1I)C[NH+](C)C ZINC000926826715 654583101 /nfs/dbraw/zinc/58/31/01/654583101.db2.gz ZYUUULNNIYCFER-LLVKDONJSA-N 1 0 391.253 2.379 20 0 GEADRO CCO[C@H](CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)C[NH+](C)C ZINC000926838129 654583509 /nfs/dbraw/zinc/58/35/09/654583509.db2.gz YJRXMQGMJBISDM-BXUZGUMPSA-N 1 0 378.300 2.293 20 0 GEADRO CCO[C@H](CNC(=O)N[C@H](CCO)c1ccc(Cl)c(F)c1)C[NH+](C)C ZINC000926855862 654583775 /nfs/dbraw/zinc/58/37/75/654583775.db2.gz XSDYMLMJDZRNBY-CZUORRHYSA-N 1 0 375.872 2.169 20 0 GEADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000926906954 654584547 /nfs/dbraw/zinc/58/45/47/654584547.db2.gz CSCODNSBVXSGMP-OAHLLOKOSA-N 1 0 381.519 2.085 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000926942264 654584819 /nfs/dbraw/zinc/58/48/19/654584819.db2.gz ABKDWKPZTJUCOY-RBQUTUCGSA-N 1 0 395.308 2.095 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000927024821 654589558 /nfs/dbraw/zinc/58/95/58/654589558.db2.gz LVSIIVDLPISRQE-BXUZGUMPSA-N 1 0 380.279 2.034 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000927025456 654589825 /nfs/dbraw/zinc/58/98/25/654589825.db2.gz NKBRGWSMEUBOMK-UKRRQHHQSA-N 1 0 376.316 2.212 20 0 GEADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927027969 654589911 /nfs/dbraw/zinc/58/99/11/654589911.db2.gz HKLZBCGCIRSHKL-OLUVUFQESA-N 1 0 394.356 2.227 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C12CC[NH+](CC1)C2 ZINC000907927659 654590422 /nfs/dbraw/zinc/59/04/22/654590422.db2.gz IDEWYOPHEMKADG-UHFFFAOYSA-N 1 0 390.285 2.084 20 0 GEADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000927038691 654590598 /nfs/dbraw/zinc/59/05/98/654590598.db2.gz FINXDSFHYYYWKZ-MLQJFRMTSA-N 1 0 379.469 2.441 20 0 GEADRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000927080130 654591121 /nfs/dbraw/zinc/59/11/21/654591121.db2.gz HDAKAKLBVYSWBN-ZJUUUORDSA-N 1 0 383.297 2.097 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000927104657 654592149 /nfs/dbraw/zinc/59/21/49/654592149.db2.gz ZNVABEVUXQMFLJ-CQSZACIVSA-N 1 0 382.306 2.014 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927106315 654592437 /nfs/dbraw/zinc/59/24/37/654592437.db2.gz PUHPNOVACPSABW-CYBMUJFWSA-N 1 0 384.322 2.118 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000927108313 654592944 /nfs/dbraw/zinc/59/29/44/654592944.db2.gz MHSIQQFMHJYFQY-UKRRQHHQSA-N 1 0 396.333 2.260 20 0 GEADRO CN(C(=O)NCC1(n2cc(Br)cn2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000927107980 654593009 /nfs/dbraw/zinc/59/30/09/654593009.db2.gz YMBMVQJWQCSXMO-CQSZACIVSA-N 1 0 382.306 2.013 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2ncc(Br)cn2n1 ZINC000908192761 654611849 /nfs/dbraw/zinc/61/18/49/654611849.db2.gz YWDHQTNJEQSCQJ-BXUZGUMPSA-N 1 0 378.274 2.191 20 0 GEADRO O=C(c1ccc(Cn2cc(Br)cn2)s1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000927771671 654613411 /nfs/dbraw/zinc/61/34/11/654613411.db2.gz KKHLJBZKEXDJIS-NWDGAFQWSA-N 1 0 395.326 2.437 20 0 GEADRO O=C(Cc1c[nH]c2ccc(Br)cc12)N[C@H](CO)C[NH+]1CCCC1 ZINC000908209261 654613617 /nfs/dbraw/zinc/61/36/17/654613617.db2.gz ZIBBZIGDRRRJOR-AWEZNQCLSA-N 1 0 380.286 2.046 20 0 GEADRO C/C(=C/C(=O)NCc1nc2cc(Br)ccc2o1)CN1CCOCC1 ZINC000908221870 654614214 /nfs/dbraw/zinc/61/42/14/654614214.db2.gz CIZWDMFEMPTFJA-WQLSENKSSA-N 1 0 394.269 2.485 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[NH3+])cc(Br)cc1C(F)(F)F ZINC000927798189 654614970 /nfs/dbraw/zinc/61/49/70/654614970.db2.gz RNOIBJGFPWSWFE-LURJTMIESA-N 1 0 382.180 2.178 20 0 GEADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc(Br)cc1C(F)(F)F ZINC000927797564 654614973 /nfs/dbraw/zinc/61/49/73/654614973.db2.gz OCEUHINEVSUQJF-ZETCQYMHSA-N 1 0 396.207 2.426 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1C ZINC000927806076 654615163 /nfs/dbraw/zinc/61/51/63/654615163.db2.gz LNYKOSLKQOMENU-SSDOTTSWSA-N 1 0 396.207 2.439 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000927814253 654615464 /nfs/dbraw/zinc/61/54/64/654615464.db2.gz CZVXDRINGOFJGF-MNOVXSKESA-N 1 0 378.885 2.374 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000927814975 654615471 /nfs/dbraw/zinc/61/54/71/654615471.db2.gz CDBXAYSSXCKSAP-NEPJUHHUSA-N 1 0 398.301 2.147 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1Br ZINC000927817819 654615734 /nfs/dbraw/zinc/61/57/34/654615734.db2.gz DPVGGEAZVFVIEF-GHMZBOCLSA-N 1 0 386.265 2.197 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Cl)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000927822376 654615740 /nfs/dbraw/zinc/61/57/40/654615740.db2.gz XCXUJHVWWDUAGB-GFCCVEGCSA-N 1 0 386.279 2.207 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C[C@H]1CC[NH3+] ZINC000927827571 654615920 /nfs/dbraw/zinc/61/59/20/654615920.db2.gz NBBPNXOQGCNVPA-BXUZGUMPSA-N 1 0 394.313 2.320 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000927825071 654615969 /nfs/dbraw/zinc/61/59/69/654615969.db2.gz JLFAGJZAOMFUQW-VXGBXAGGSA-N 1 0 398.301 2.148 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000927828956 654616214 /nfs/dbraw/zinc/61/62/14/654616214.db2.gz MTNMNHFKRIENSW-DGCLKSJQSA-N 1 0 382.302 2.393 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C[C@H]1CC[NH3+] ZINC000927828908 654616236 /nfs/dbraw/zinc/61/62/36/654616236.db2.gz KRECWANMASTZTG-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc(C)c1Br ZINC000927828924 654616270 /nfs/dbraw/zinc/61/62/70/654616270.db2.gz LDZVPIKMYVIFTC-CHWSQXEVSA-N 1 0 382.302 2.448 20 0 GEADRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)n1 ZINC000927840439 654616454 /nfs/dbraw/zinc/61/64/54/654616454.db2.gz BNRBZWALVZYILY-IUCAKERBSA-N 1 0 378.420 2.117 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Cl)cc1F ZINC000927843402 654616657 /nfs/dbraw/zinc/61/66/57/654616657.db2.gz CBXSLMWVQLIFAF-KCJUWKMLSA-N 1 0 381.757 2.464 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[C@H]1C(F)(F)F ZINC000927846691 654617175 /nfs/dbraw/zinc/61/71/75/654617175.db2.gz DQFLYNWTHVQMMK-GHMZBOCLSA-N 1 0 394.191 2.126 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000927848957 654617414 /nfs/dbraw/zinc/61/74/14/654617414.db2.gz WFCJVKKILGOUPH-WDEREUQCSA-N 1 0 394.191 2.126 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1Br ZINC000927851854 654617508 /nfs/dbraw/zinc/61/75/08/654617508.db2.gz IGBOQYNSUYONOM-LBPRGKRZSA-N 1 0 386.315 2.305 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc2ccccc2nc1Br)C(C)C ZINC000927865647 654618403 /nfs/dbraw/zinc/61/84/03/654618403.db2.gz WQSIZCNKLZZECH-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC)C(C)C ZINC000927865019 654618469 /nfs/dbraw/zinc/61/84/69/654618469.db2.gz LGCWWVYIFVQAFT-UHFFFAOYSA-N 1 0 390.267 2.175 20 0 GEADRO O=C(NCCCCCN1CC[NH2+]CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000927870099 654618657 /nfs/dbraw/zinc/61/86/57/654618657.db2.gz KQDAZPIYRMTKDJ-UHFFFAOYSA-N 1 0 387.311 2.124 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000927888944 654619811 /nfs/dbraw/zinc/61/98/11/654619811.db2.gz JIDDDXJGSCPPPD-MRVPVSSYSA-N 1 0 392.656 2.377 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[C@H]1C[NH3+] ZINC000927893956 654620696 /nfs/dbraw/zinc/62/06/96/654620696.db2.gz ZCNKUFCNYQCRKC-JQWIXIFHSA-N 1 0 395.301 2.103 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927924678 654621743 /nfs/dbraw/zinc/62/17/43/654621743.db2.gz DIKDPSSYDOGPTC-MRXNPFEDSA-N 1 0 384.249 2.271 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000927925515 654621766 /nfs/dbraw/zinc/62/17/66/654621766.db2.gz RVERJGVNJBHAHE-INIZCTEOSA-N 1 0 384.249 2.271 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000927928405 654622020 /nfs/dbraw/zinc/62/20/20/654622020.db2.gz HFBGNHBCYMPXKU-CMPLNLGQSA-N 1 0 391.269 2.179 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927930036 654622364 /nfs/dbraw/zinc/62/23/64/654622364.db2.gz AOMBDTPQGDNKKD-QGZVFWFLSA-N 1 0 396.285 2.141 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000908408404 654627246 /nfs/dbraw/zinc/62/72/46/654627246.db2.gz NCNTZNVNICTYJD-KRWDZBQOSA-N 1 0 393.285 2.420 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc2c(c1)NC(=O)CCS2 ZINC000928100091 654631038 /nfs/dbraw/zinc/63/10/38/654631038.db2.gz VWZXLPZVGLAHCB-ZFWWWQNUSA-N 1 0 377.535 2.431 20 0 GEADRO C[C@@H]1Sc2ccc(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)cc2NC1=O ZINC000928104506 654631274 /nfs/dbraw/zinc/63/12/74/654631274.db2.gz VOYPZIGKMYZDIB-NJZAAPMLSA-N 1 0 377.535 2.429 20 0 GEADRO CO[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)s1 ZINC000908539899 654633395 /nfs/dbraw/zinc/63/33/95/654633395.db2.gz DTSZWKOPOASKBZ-SMDDNHRTSA-N 1 0 391.331 2.161 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000908594793 654634951 /nfs/dbraw/zinc/63/49/51/654634951.db2.gz YICVWWBCVOAOCM-UHFFFAOYSA-N 1 0 387.293 2.482 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cccn3ncc(Br)c23)CC1 ZINC000908609227 654635652 /nfs/dbraw/zinc/63/56/52/654635652.db2.gz ASMOEIIZFIMZQF-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000908610824 654635761 /nfs/dbraw/zinc/63/57/61/654635761.db2.gz SHQNHJLKLOWSQM-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)nnn1-c1ccccc1Br ZINC000928427752 654647213 /nfs/dbraw/zinc/64/72/13/654647213.db2.gz UDNUAJAUXALPJB-GWCFXTLKSA-N 1 0 378.274 2.161 20 0 GEADRO C[C@H]1[C@H](NC(=O)c2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000928442717 654647427 /nfs/dbraw/zinc/64/74/27/654647427.db2.gz SECPSVCEKFEELX-JVXZTZIISA-N 1 0 380.176 2.392 20 0 GEADRO C[NH+](C)CCCC(C)(C)NC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000909020541 654650464 /nfs/dbraw/zinc/65/04/64/654650464.db2.gz PYLGNWPVGFAGGJ-UHFFFAOYSA-N 1 0 375.300 2.355 20 0 GEADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000909286612 654658686 /nfs/dbraw/zinc/65/86/86/654658686.db2.gz VJEKGUYLTKJJDP-UHFFFAOYSA-N 1 0 385.295 2.251 20 0 GEADRO C[C@](CO)(NC(=O)C1C[NH+](C2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000909328774 654660467 /nfs/dbraw/zinc/66/04/67/654660467.db2.gz PWIHTZNAUJCWAF-GOSISDBHSA-N 1 0 387.307 2.428 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1cccnc1 ZINC000928833258 654662013 /nfs/dbraw/zinc/66/20/13/654662013.db2.gz PDNGJQHBXBZIAU-CQSZACIVSA-N 1 0 393.285 2.296 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)c1ccnn1CC[NH+](C)C ZINC000909410780 654663855 /nfs/dbraw/zinc/66/38/55/654663855.db2.gz JGZVAOMXYFOASW-MRXNPFEDSA-N 1 0 395.301 2.013 20 0 GEADRO COC(=O)c1nc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cs1 ZINC000909437666 654664626 /nfs/dbraw/zinc/66/46/26/654664626.db2.gz CQYYDDXCBRJAKK-UHFFFAOYSA-N 1 0 379.404 2.419 20 0 GEADRO O=S(=O)(NC1CC[NH+](CCOC2CCSCC2)CC1)c1cccs1 ZINC000929154323 654673196 /nfs/dbraw/zinc/67/31/96/654673196.db2.gz LAKRZEHJXLBPCX-UHFFFAOYSA-N 1 0 390.596 2.403 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccs1 ZINC000929336700 654679902 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Cc1ccc(CNC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC000911361205 654723023 /nfs/dbraw/zinc/72/30/23/654723023.db2.gz WKCALQIBZVNGAD-CRAIPNDOSA-N 1 0 394.313 2.022 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC000930977273 654725530 /nfs/dbraw/zinc/72/55/30/654725530.db2.gz BJVCZXKVYBOERV-CQSZACIVSA-N 1 0 382.302 2.479 20 0 GEADRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000911543657 654725626 /nfs/dbraw/zinc/72/56/26/654725626.db2.gz YLJWKHCTSOFCBK-CYZMBNFOSA-N 1 0 398.326 2.011 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911564010 654726342 /nfs/dbraw/zinc/72/63/42/654726342.db2.gz QPEWFNDJWOZNAJ-LLVKDONJSA-N 1 0 388.331 2.117 20 0 GEADRO COC[C@H](C[NH+]1CCC(n2nncc2I)CC1)C(C)C ZINC000931016232 654726541 /nfs/dbraw/zinc/72/65/41/654726541.db2.gz ZVWURMDQRKCJDD-LBPRGKRZSA-N 1 0 392.285 2.438 20 0 GEADRO Cc1nccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1Br ZINC000931021630 654726932 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GEADRO C[NH2+][C@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000911736740 654730923 /nfs/dbraw/zinc/73/09/23/654730923.db2.gz NJXSARDSWUOTHO-VIFPVBQESA-N 1 0 377.080 2.431 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)c2nnn(-c3ccccc3Br)c2C)C1 ZINC000911735848 654730926 /nfs/dbraw/zinc/73/09/26/654730926.db2.gz DRFRMILAJNBWJW-LBPRGKRZSA-N 1 0 378.274 2.162 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000911774327 654731862 /nfs/dbraw/zinc/73/18/62/654731862.db2.gz JMLPOFJTCBHJMH-LLVKDONJSA-N 1 0 383.315 2.437 20 0 GEADRO Cc1ccc(Br)c2cc(C(=O)N(C)CCN3CC[NH2+]CC3)[nH]c21 ZINC000911774509 654731930 /nfs/dbraw/zinc/73/19/30/654731930.db2.gz LXFABAPKDLCVQG-UHFFFAOYSA-N 1 0 379.302 2.216 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000911865371 654734522 /nfs/dbraw/zinc/73/45/22/654734522.db2.gz XXDXEFACLOXWIJ-UHFFFAOYSA-N 1 0 392.301 2.492 20 0 GEADRO CCOc1ccc(Br)c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1F ZINC000911881570 654735039 /nfs/dbraw/zinc/73/50/39/654735039.db2.gz FPOWEUCIRAUJEG-CABZTGNLSA-N 1 0 375.238 2.175 20 0 GEADRO CCOc1ccc([C@]2(C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)CC2(Cl)Cl)cc1 ZINC000911879345 654735041 /nfs/dbraw/zinc/73/50/41/654735041.db2.gz DQMWQFDHPKBITF-MJEQTWJJSA-N 1 0 387.307 2.475 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000911933570 654736592 /nfs/dbraw/zinc/73/65/92/654736592.db2.gz LGOJSXQKQPKGBX-UHFFFAOYSA-N 1 0 379.448 2.096 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000911936111 654736621 /nfs/dbraw/zinc/73/66/21/654736621.db2.gz WCJXHMVDUVSZOZ-UHFFFAOYSA-N 1 0 395.297 2.140 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000911937394 654736666 /nfs/dbraw/zinc/73/66/66/654736666.db2.gz WQHHWAPAFWAEJE-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911934183 654736682 /nfs/dbraw/zinc/73/66/82/654736682.db2.gz YCMALSNWMZJRLB-UHFFFAOYSA-N 1 0 379.448 2.014 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000911942159 654736932 /nfs/dbraw/zinc/73/69/32/654736932.db2.gz BCVXMRBELGMVKR-UHFFFAOYSA-N 1 0 379.810 2.211 20 0 GEADRO Nc1nc(Br)ccc1CN1CC[NH+](CCc2ccncc2)CC1 ZINC000931340403 654738851 /nfs/dbraw/zinc/73/88/51/654738851.db2.gz LFMXXFUNUVFLIT-UHFFFAOYSA-N 1 0 376.302 2.182 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2nc(Br)c3ccccn32)cn1 ZINC000931344582 654738861 /nfs/dbraw/zinc/73/88/61/654738861.db2.gz CULWWZIZTVVKNS-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO C[NH+](C)C1(C)CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000931350644 654739043 /nfs/dbraw/zinc/73/90/43/654739043.db2.gz RKWJUIKBXQSRBZ-UHFFFAOYSA-N 1 0 379.306 2.341 20 0 GEADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]1C[NH2+]CCN1C ZINC000912012869 654739939 /nfs/dbraw/zinc/73/99/39/654739939.db2.gz HHDDFXPPNXVKRC-OAHLLOKOSA-N 1 0 387.311 2.074 20 0 GEADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000912014644 654739949 /nfs/dbraw/zinc/73/99/49/654739949.db2.gz LCBRXYJVVGSHFL-PXAZEXFGSA-N 1 0 383.901 2.205 20 0 GEADRO 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/nfs/dbraw/zinc/75/35/43/654753543.db2.gz ZDMRDFRKITUJNK-QWHCGFSZSA-N 1 0 383.290 2.215 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000931693462 654753779 /nfs/dbraw/zinc/75/37/79/654753779.db2.gz XCKZHKUAZIKZPO-GXTWGEPZSA-N 1 0 380.286 2.428 20 0 GEADRO COC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CCSC)c1ccc(Br)cc1 ZINC000912453328 654754656 /nfs/dbraw/zinc/75/46/56/654754656.db2.gz DPZWRHYVNXZVTJ-CHWSQXEVSA-N 1 0 389.315 2.250 20 0 GEADRO CN1CCN(C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC[N@H+](C)CC1 ZINC000931757989 654755931 /nfs/dbraw/zinc/75/59/31/654755931.db2.gz CIZVTXHTLFJSIR-UHFFFAOYSA-N 1 0 379.814 2.465 20 0 GEADRO COCCn1cc(NC(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)cn1 ZINC000912482100 654756102 /nfs/dbraw/zinc/75/61/02/654756102.db2.gz IFWNVQXMXBZJEX-AWEZNQCLSA-N 1 0 381.274 2.191 20 0 GEADRO CC[N@H+](C)C[C@@H](O)CN1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC000931800163 654757681 /nfs/dbraw/zinc/75/76/81/654757681.db2.gz SLCSZURPQHWGCT-QAPCUYQASA-N 1 0 393.329 2.432 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000912586770 654760215 /nfs/dbraw/zinc/76/02/15/654760215.db2.gz HOACJUGZAMEUPS-UHFFFAOYSA-N 1 0 376.320 2.118 20 0 GEADRO Cc1sc2ncnc(SCCC(=O)N(C)CC[N@H+](C)CCO)c2c1C ZINC000912609135 654761116 /nfs/dbraw/zinc/76/11/16/654761116.db2.gz ZFIGNHJTVLDEFB-UHFFFAOYSA-N 1 0 382.555 2.173 20 0 GEADRO Cc1nc([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)no1 ZINC000931951419 654762413 /nfs/dbraw/zinc/76/24/13/654762413.db2.gz ZKPMORARHQOJAI-GXTWGEPZSA-N 1 0 382.258 2.370 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931999795 654763536 /nfs/dbraw/zinc/76/35/36/654763536.db2.gz UQQKMZAIKDTWNY-IUODEOHRSA-N 1 0 381.270 2.397 20 0 GEADRO Cn1ccnc1[C@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc(Br)cc1 ZINC000912678993 654763625 /nfs/dbraw/zinc/76/36/25/654763625.db2.gz RTHIGZYEFNVXHS-OAHLLOKOSA-N 1 0 389.297 2.484 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932007746 654763975 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GEADRO NC(=O)[C@](O)(C[NH2+][C@@H]1CCOc2ccc(Br)cc21)c1ccccc1 ZINC000932210309 654770345 /nfs/dbraw/zinc/77/03/45/654770345.db2.gz ZIUVYULQGCTAFH-QAPCUYQASA-N 1 0 391.265 2.235 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCOc2ccc(Br)cc21)COC[C@H]1CCCO1 ZINC000932209088 654770396 /nfs/dbraw/zinc/77/03/96/654770396.db2.gz SGQKAMXXPIPQFW-FMKPAKJESA-N 1 0 386.286 2.419 20 0 GEADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CCC([NH+]2CCC2)CC1 ZINC000912872022 654772097 /nfs/dbraw/zinc/77/20/97/654772097.db2.gz LIKUOHSMPULPTN-UHFFFAOYSA-N 1 0 379.258 2.341 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912884741 654772483 /nfs/dbraw/zinc/77/24/83/654772483.db2.gz RJLAYEDOOFSDCV-UHFFFAOYSA-N 1 0 394.313 2.266 20 0 GEADRO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912922841 654774485 /nfs/dbraw/zinc/77/44/85/654774485.db2.gz QKRQDSNDGVEYNK-KBPBESRZSA-N 1 0 392.297 2.109 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912921222 654774503 /nfs/dbraw/zinc/77/45/03/654774503.db2.gz CIGANMLEHFQQSN-HNNXBMFYSA-N 1 0 395.301 2.267 20 0 GEADRO C[C@@H]1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCO1 ZINC000932349475 654775917 /nfs/dbraw/zinc/77/59/17/654775917.db2.gz FQTRYYRFMMSZLB-CYBMUJFWSA-N 1 0 387.311 2.148 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC(Cc3cccc(Br)c3)C2)C1 ZINC000913093012 654782278 /nfs/dbraw/zinc/78/22/78/654782278.db2.gz HIVWVHKOZWJYEV-SFHVURJKSA-N 1 0 381.314 2.297 20 0 GEADRO Cc1cc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cnc1Br ZINC000932623426 654783839 /nfs/dbraw/zinc/78/38/39/654783839.db2.gz XEQWPCXROUWMDT-CQSZACIVSA-N 1 0 381.318 2.051 20 0 GEADRO CCOc1ccc([C@@]2(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2(Cl)Cl)cc1 ZINC000913172664 654786019 /nfs/dbraw/zinc/78/60/19/654786019.db2.gz ZYBGKOZVVABLAU-RHSMWYFYSA-N 1 0 387.307 2.084 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](CCn2cnc(Br)n2)C1 ZINC000932698902 654786029 /nfs/dbraw/zinc/78/60/29/654786029.db2.gz FVAHDZZBKSUUCS-GFCCVEGCSA-N 1 0 388.310 2.277 20 0 GEADRO Cc1ccc(Br)c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)n1 ZINC000932713624 654786411 /nfs/dbraw/zinc/78/64/11/654786411.db2.gz POUHTOIGAVRBQQ-UHFFFAOYSA-N 1 0 383.334 2.251 20 0 GEADRO Cc1ncc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c(C)c1Br ZINC000932767807 654789116 /nfs/dbraw/zinc/78/91/16/654789116.db2.gz SJMIKAZFODXYEY-LBPRGKRZSA-N 1 0 385.306 2.428 20 0 GEADRO Cc1ncc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(C)c1Br ZINC000932769649 654789322 /nfs/dbraw/zinc/78/93/22/654789322.db2.gz GNLFAZMQZUIGHF-ZDUSSCGKSA-N 1 0 385.306 2.429 20 0 GEADRO Cc1ncc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(C)c1Br ZINC000932775436 654789490 /nfs/dbraw/zinc/78/94/90/654789490.db2.gz NFDXTGRDDZAMAJ-GHMZBOCLSA-N 1 0 385.306 2.380 20 0 GEADRO Cc1ncc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)c1Br ZINC000932786769 654790494 /nfs/dbraw/zinc/79/04/94/654790494.db2.gz WXRITMVWJWQPIC-STQMWFEESA-N 1 0 383.290 2.446 20 0 GEADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCN(Cc2cncs2)CC1 ZINC000913410331 654790815 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O=C(NC12CC[NH+](CC1)C2)c1nc(Br)ccc1Br ZINC000913633268 654802259 /nfs/dbraw/zinc/80/22/59/654802259.db2.gz BCKVKKNNDXSBPG-UHFFFAOYSA-N 1 0 375.064 2.185 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000913661446 654803125 /nfs/dbraw/zinc/80/31/25/654803125.db2.gz LAPILDNFZKFCRS-UHFFFAOYSA-N 1 0 387.311 2.451 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000913676472 654803784 /nfs/dbraw/zinc/80/37/84/654803784.db2.gz YONCCLLHMBKNCT-UHFFFAOYSA-N 1 0 377.229 2.256 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000913677957 654803803 /nfs/dbraw/zinc/80/38/03/654803803.db2.gz LVGLYTMCIQEVKO-UHFFFAOYSA-N 1 0 381.314 2.396 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000913683747 654804153 /nfs/dbraw/zinc/80/41/53/654804153.db2.gz QPRWBLQHYFJWSF-HYVNUMGLSA-N 1 0 393.325 2.250 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913688388 654804454 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Cc1cc(NC(=O)C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)on1 ZINC000933437920 654813191 /nfs/dbraw/zinc/81/31/91/654813191.db2.gz RKTTYEALWKRIRL-MRXNPFEDSA-N 1 0 382.258 2.267 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)s1 ZINC000933445767 654813799 /nfs/dbraw/zinc/81/37/99/654813799.db2.gz PNUNJFVVSVVLMD-KRWDZBQOSA-N 1 0 386.514 2.221 20 0 GEADRO C[N@H+](CC[S@](=O)C(F)(F)F)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933502057 654815261 /nfs/dbraw/zinc/81/52/61/654815261.db2.gz KPEKIJKTZXPTNX-VWLOTQADSA-N 1 0 388.452 2.261 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@H]3CC3(Cl)Cl)C2)[C@H]1C(C)C ZINC000913904472 654815315 /nfs/dbraw/zinc/81/53/15/654815315.db2.gz NISBDJFAIZEQAJ-PAURTPPISA-N 1 0 378.344 2.349 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000913909211 654815524 /nfs/dbraw/zinc/81/55/24/654815524.db2.gz URVBOXJXCPVXAD-UHFFFAOYSA-N 1 0 379.295 2.492 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000913909598 654815589 /nfs/dbraw/zinc/81/55/89/654815589.db2.gz GAPPJBFEBVJBEB-UHFFFAOYSA-N 1 0 379.295 2.492 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Br)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000913912590 654815604 /nfs/dbraw/zinc/81/56/04/654815604.db2.gz DEIAGNKNQPOYAB-LLVKDONJSA-N 1 0 391.306 2.492 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnn(C)c1I ZINC000933737546 654823704 /nfs/dbraw/zinc/82/37/04/654823704.db2.gz AZHZQKAGMUSBCL-JTQLQIEISA-N 1 0 391.257 2.021 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1F ZINC000914090684 654825819 /nfs/dbraw/zinc/82/58/19/654825819.db2.gz PGTKMGBLTYGPOS-SNVBAGLBSA-N 1 0 395.294 2.312 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)N2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000914100866 654826547 /nfs/dbraw/zinc/82/65/47/654826547.db2.gz QDOAANKQUDNBFZ-AWEZNQCLSA-N 1 0 382.496 2.093 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933759268 654826621 /nfs/dbraw/zinc/82/66/21/654826621.db2.gz PSAXWZUKBKQQIU-SJCJKPOMSA-N 1 0 380.286 2.283 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CCN(C)CC[N@H+](C)CC1 ZINC000933992727 654833689 /nfs/dbraw/zinc/83/36/89/654833689.db2.gz PPWGJFFCNSNIBX-UHFFFAOYSA-N 1 0 380.334 2.015 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(=O)[nH]cc2Br)C1 ZINC000934002462 654833924 /nfs/dbraw/zinc/83/39/24/654833924.db2.gz VTGYNNDUZIRJIB-GFCCVEGCSA-N 1 0 386.290 2.123 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCN(C)CC[N@H+](C)CC1 ZINC000933998357 654833974 /nfs/dbraw/zinc/83/39/74/654833974.db2.gz XBTUAMWKAZITBB-UHFFFAOYSA-N 1 0 387.355 2.131 20 0 GEADRO O=C(Nc1nc2ccc3scnc3c2s1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000934010021 654834179 /nfs/dbraw/zinc/83/41/79/654834179.db2.gz RNPZOBHUBALFJM-VHSXEESVSA-N 1 0 375.479 2.189 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000914219733 654836056 /nfs/dbraw/zinc/83/60/56/654836056.db2.gz AQTGQNXWCQQOCW-ZIAGYGMSSA-N 1 0 382.306 2.061 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000914241390 654838043 /nfs/dbraw/zinc/83/80/43/654838043.db2.gz JYZGSQGLKYJAIU-NHUBLERXSA-N 1 0 399.460 2.160 20 0 GEADRO COc1cc(Br)ccc1CCC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934220821 654839049 /nfs/dbraw/zinc/83/90/49/654839049.db2.gz GPFANYKTUVSFDB-QGZVFWFLSA-N 1 0 395.301 2.121 20 0 GEADRO CCO[C@@H](CNC(=O)NCc1cc(OC)ccc1Br)C[NH+](C)C ZINC000914259311 654839554 /nfs/dbraw/zinc/83/95/54/654839554.db2.gz PPFPKHCYLPGIKF-AWEZNQCLSA-N 1 0 388.306 2.224 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cc2c(cc1Br)OCCO2 ZINC000934251943 654840020 /nfs/dbraw/zinc/84/00/20/654840020.db2.gz HIJFQJAZBNLLNT-CVEARBPZSA-N 1 0 397.313 2.251 20 0 GEADRO OCCN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000934253642 654840056 /nfs/dbraw/zinc/84/00/56/654840056.db2.gz FYESLDOLAOJNMD-MORSLUCNSA-N 1 0 389.323 2.264 20 0 GEADRO O=Cc1cc(OS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)ccc1Br ZINC000914267064 654840270 /nfs/dbraw/zinc/84/02/70/654840270.db2.gz FSIMIJMQYCYEBF-HNNXBMFYSA-N 1 0 388.283 2.456 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934267606 654841866 /nfs/dbraw/zinc/84/18/66/654841866.db2.gz CNNBEPAFIRFURR-BBWFWOEESA-N 1 0 397.313 2.194 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934268206 654842243 /nfs/dbraw/zinc/84/22/43/654842243.db2.gz IAKUOCVEPLQJJW-SJORKVTESA-N 1 0 397.313 2.267 20 0 GEADRO C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000914298749 654842991 /nfs/dbraw/zinc/84/29/91/654842991.db2.gz GCOJSTURTMXEDM-CJNGLKHVSA-N 1 0 381.318 2.279 20 0 GEADRO O=C(c1cc(Br)cn2ncnc12)N1CCC(c2c[nH]cn2)CC1 ZINC000934315077 654843953 /nfs/dbraw/zinc/84/39/53/654843953.db2.gz FJPJYZAGVMBEGB-UHFFFAOYSA-N 1 0 375.230 2.235 20 0 GEADRO COC(=O)C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1cccc(Br)c1 ZINC000914339333 654846869 /nfs/dbraw/zinc/84/68/69/654846869.db2.gz JDARQZJKUZNZBQ-KGLIPLIRSA-N 1 0 384.274 2.057 20 0 GEADRO CC(F)(F)CCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000914349895 654847504 /nfs/dbraw/zinc/84/75/04/654847504.db2.gz SHLIQXHPTVGBJD-INIZCTEOSA-N 1 0 376.469 2.108 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934375539 654848155 /nfs/dbraw/zinc/84/81/55/654848155.db2.gz YATXXXOAHFJVDF-NSHDSACASA-N 1 0 388.310 2.195 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2occc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000914390630 654850476 /nfs/dbraw/zinc/85/04/76/654850476.db2.gz IUPDTQLAZFHEOK-RYUDHWBXSA-N 1 0 395.344 2.242 20 0 GEADRO C[C@@](CO)([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000934496963 654851225 /nfs/dbraw/zinc/85/12/25/654851225.db2.gz FLNKGGKGDFJIOH-WMZOPIPTSA-N 1 0 397.313 2.026 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000934734309 654856448 /nfs/dbraw/zinc/85/64/48/654856448.db2.gz DXKZGYVKUALZCP-NSHDSACASA-N 1 0 379.258 2.450 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)n1 ZINC000934735010 654856485 /nfs/dbraw/zinc/85/64/85/654856485.db2.gz JLONXRQNCHXJCS-UHFFFAOYSA-N 1 0 399.333 2.328 20 0 GEADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000934749484 654857649 /nfs/dbraw/zinc/85/76/49/654857649.db2.gz FZNNWCGCMMEUFT-NSYGIPOTSA-N 1 0 375.485 2.285 20 0 GEADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000934750889 654857928 /nfs/dbraw/zinc/85/79/28/654857928.db2.gz TZLLRIAAQRMQBL-NSYGIPOTSA-N 1 0 375.485 2.285 20 0 GEADRO CCO[C@H](CNC(=O)NCc1cc(Br)ccc1OC)C[NH+](C)C ZINC000915451980 654871066 /nfs/dbraw/zinc/87/10/66/654871066.db2.gz AXTSICAJYOHSHF-CQSZACIVSA-N 1 0 388.306 2.224 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)c2nc(Br)c3ccccn32)CC1 ZINC000935106816 654876133 /nfs/dbraw/zinc/87/61/33/654876133.db2.gz KUULWRFGKGIMBS-UHFFFAOYSA-N 1 0 395.301 2.016 20 0 GEADRO CS[C@H]1CN(C(=O)c2cnn3cccc(Br)c23)C[C@H]1[NH+](C)C ZINC000935113731 654876616 /nfs/dbraw/zinc/87/66/16/654876616.db2.gz PRCRHWXOBVGGHI-OLZOCXBDSA-N 1 0 383.315 2.214 20 0 GEADRO Cn1cc(Br)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1=O ZINC000935119435 654876933 /nfs/dbraw/zinc/87/69/33/654876933.db2.gz RWMLBYPFYVZYOZ-DOTOQJQBSA-N 1 0 390.281 2.323 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)Cc3ccc(F)cc3Br)[C@@H]2C1 ZINC000915834985 654880066 /nfs/dbraw/zinc/88/00/66/654880066.db2.gz NDRCGYLWXPIWKW-IINYFYTJSA-N 1 0 377.279 2.054 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000915881337 654881596 /nfs/dbraw/zinc/88/15/96/654881596.db2.gz SQWWBTSMCDCDQB-SINSKDIDSA-N 1 0 399.460 2.303 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1F ZINC000915881949 654881765 /nfs/dbraw/zinc/88/17/65/654881765.db2.gz YGUFOKMSDJZUQX-KOLCDFICSA-N 1 0 395.294 2.310 20 0 GEADRO C[C@H](C(=O)NCCOCC[NH+](C)C)c1ccc(I)cc1 ZINC000935260216 654884156 /nfs/dbraw/zinc/88/41/56/654884156.db2.gz OIQAOHYHNDZJDI-LBPRGKRZSA-N 1 0 390.265 2.089 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000935269636 654884703 /nfs/dbraw/zinc/88/47/03/654884703.db2.gz BOSDMNCMGBVXOV-UHFFFAOYSA-N 1 0 377.229 2.304 20 0 GEADRO C[NH+](C)CCCN(Cc1cccs1)C(=S)NCCCN1CCOCC1 ZINC000916116739 654889009 /nfs/dbraw/zinc/88/90/09/654889009.db2.gz GCTNHDOKMUYMRT-UHFFFAOYSA-N 1 0 384.615 2.099 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc(Br)[nH]c2=O)C[C@H]1[NH+]1CCCC1 ZINC000935366063 654889966 /nfs/dbraw/zinc/88/99/66/654889966.db2.gz CPRGPPGOSULUFW-VXGBXAGGSA-N 1 0 386.315 2.202 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000935477075 654895840 /nfs/dbraw/zinc/89/58/40/654895840.db2.gz FPOCDDJKVNPHRN-NSHDSACASA-N 1 0 377.436 2.078 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(Br)cnc1Br)C2 ZINC000935666559 654909606 /nfs/dbraw/zinc/90/96/06/654909606.db2.gz NRRCWXTYQYYEHF-UHFFFAOYSA-N 1 0 389.091 2.384 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)cnc2C2CC2)C1 ZINC000935681780 654910639 /nfs/dbraw/zinc/91/06/39/654910639.db2.gz WNSUEGSWNCSRKE-KRWDZBQOSA-N 1 0 382.302 2.250 20 0 GEADRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935931778 654928087 /nfs/dbraw/zinc/92/80/87/654928087.db2.gz FBHMKASQMKTUCH-GXTWGEPZSA-N 1 0 393.285 2.032 20 0 GEADRO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000992313376 654945518 /nfs/dbraw/zinc/94/55/18/654945518.db2.gz MMBMGHRKEQQFRR-FMKGYKFTSA-N 1 0 381.929 2.172 20 0 GEADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164403863 718852311 /nfs/dbraw/zinc/85/23/11/718852311.db2.gz JGCMCBGARVSOPA-CXAGYDPISA-N 1 0 380.826 2.360 20 0 GEADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164403081 718854111 /nfs/dbraw/zinc/85/41/11/718854111.db2.gz HKBPGPYRCKGOQO-WMLDXEAASA-N 1 0 380.826 2.360 20 0 GEADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164406401 718854796 /nfs/dbraw/zinc/85/47/96/718854796.db2.gz NUCHYWFWERIJMX-YVEFUNNKSA-N 1 0 398.816 2.499 20 0 GEADRO Clc1nc2c(c(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164406561 718861986 /nfs/dbraw/zinc/86/19/86/718861986.db2.gz VJLGHPLIBCKPPQ-LPHOPBHVSA-N 1 0 399.926 2.461 20 0 GEADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164407762 718865106 /nfs/dbraw/zinc/86/51/06/718865106.db2.gz JQKLKIYUSFMZEC-DGCLKSJQSA-N 1 0 390.818 2.187 20 0 GEADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164408471 718865153 /nfs/dbraw/zinc/86/51/53/718865153.db2.gz MDNDESKEEUGXRR-NWDGAFQWSA-N 1 0 385.802 2.145 20 0 GEADRO C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CC[C@H]42)n1)CCCC3)N1CCOCC1 ZINC001164412579 718875576 /nfs/dbraw/zinc/87/55/76/718875576.db2.gz WYYJHMJXEMIMOV-JKSUJKDBSA-N 1 0 399.564 2.343 20 0 GEADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164423493 718918105 /nfs/dbraw/zinc/91/81/05/718918105.db2.gz HOYWONYRZBDVLQ-QGZVFWFLSA-N 1 0 398.841 2.413 20 0 GEADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425306 718919121 /nfs/dbraw/zinc/91/91/21/718919121.db2.gz RKNJFKJAFHPLCJ-AWEZNQCLSA-N 1 0 398.237 2.398 20 0 GEADRO FC(F)(Sc1ccc(Cl)nc1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425009 718919228 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390.553 2.178 20 0 GEADRO O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164885422 721344470 /nfs/dbraw/zinc/34/44/70/721344470.db2.gz QBPZSZCFTAEUQL-UGKGYDQZSA-N 1 0 384.524 2.189 20 0 GEADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@]3(C(=O)NCC3CC3)C2)nc1)C1CC1 ZINC001164888060 721344919 /nfs/dbraw/zinc/34/49/19/721344919.db2.gz WPQFMFGZOIRIIR-UGKGYDQZSA-N 1 0 384.524 2.187 20 0 GEADRO CSc1nc(C)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884394 721379689 /nfs/dbraw/zinc/37/96/89/721379689.db2.gz ANPRBQZWYAXMCW-PXNSSMCTSA-N 1 0 391.585 2.272 20 0 GEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4CCCC5)C3)O2)CC1 ZINC001164892930 721405197 /nfs/dbraw/zinc/40/51/97/721405197.db2.gz ZFYXRCXWVJNVGA-GCJKJVERSA-N 1 0 385.556 2.121 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5ncccc5n4)C3)O2)CC1 ZINC001164891386 721405627 /nfs/dbraw/zinc/40/56/27/721405627.db2.gz VUGNKJSNACQARV-AVRDEDQJSA-N 1 0 381.524 2.395 20 0 GEADRO 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ZINC001164925399 721836908 /nfs/dbraw/zinc/83/69/08/721836908.db2.gz OXILXJUJSGAGHN-GHTZIAJQSA-N 1 0 382.512 2.198 20 0 GEADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164927614 721857531 /nfs/dbraw/zinc/85/75/31/721857531.db2.gz LSUSYHSJQXSHML-CABCVRRESA-N 1 0 380.920 2.435 20 0 GEADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1C ZINC001164932745 721862127 /nfs/dbraw/zinc/86/21/27/721862127.db2.gz ZVJBKKAKNSIJPU-HZPDHXFCSA-N 1 0 380.920 2.435 20 0 GEADRO CN(C)c1ccc(-c2ccnc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164923153 721874357 /nfs/dbraw/zinc/87/43/57/721874357.db2.gz ITFDRXIJWKAFPH-RTWAWAEBSA-N 1 0 380.540 2.424 20 0 GEADRO COc1ccc(OC)c(-c2ccc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)c1 ZINC001164934453 721883818 /nfs/dbraw/zinc/88/38/18/721883818.db2.gz RXUBGMVNYIFWBS-PMACEKPBSA-N 1 0 397.523 2.375 20 0 GEADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)c(OC)c1 ZINC001164932251 721883855 /nfs/dbraw/zinc/88/38/55/721883855.db2.gz HLYHUEUKXQKLHY-UXHICEINSA-N 1 0 397.523 2.375 20 0 GEADRO COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)c1 ZINC001164934454 721883862 /nfs/dbraw/zinc/88/38/62/721883862.db2.gz RXUBGMVNYIFWBS-UXHICEINSA-N 1 0 397.523 2.375 20 0 GEADRO NC(=O)c1ncc(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951798 722015907 /nfs/dbraw/zinc/01/59/07/722015907.db2.gz FBNNWJLIJSVTLH-UHFFFAOYSA-N 1 0 386.887 2.116 20 0 GEADRO O=C1CSc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2N1 ZINC001164963457 722024675 /nfs/dbraw/zinc/02/46/75/722024675.db2.gz UKRXQZZQSSJLOF-UHFFFAOYSA-N 1 0 396.520 2.408 20 0 GEADRO CCOc1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164958708 722051590 /nfs/dbraw/zinc/05/15/90/722051590.db2.gz FKVVWOSJLVWHHH-UHFFFAOYSA-N 1 0 383.496 2.389 20 0 GEADRO COC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164960472 722052401 /nfs/dbraw/zinc/05/24/01/722052401.db2.gz ORZAPGCSOJBLGH-UHFFFAOYSA-N 1 0 396.491 2.382 20 0 GEADRO CC(C)(C)OC(=O)Nc1nccc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967089 722070084 /nfs/dbraw/zinc/07/00/84/722070084.db2.gz HQZGMNPHFNPFBJ-GASCZTMLSA-N 1 0 375.473 2.123 20 0 GEADRO COc1cc2nc(C)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2cc1OC ZINC001164966755 722072190 /nfs/dbraw/zinc/07/21/90/722072190.db2.gz AZHZRJJXBLVPAS-IYBDPMFKSA-N 1 0 384.480 2.255 20 0 GEADRO Clc1nc2c(Cl)ncnc2c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967319 722076772 /nfs/dbraw/zinc/07/67/72/722076772.db2.gz AUAUBIQYGQZLKM-PHIMTYICSA-N 1 0 381.267 2.026 20 0 GEADRO COC(=O)c1ccc(C)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983412 722103370 /nfs/dbraw/zinc/10/33/70/722103370.db2.gz PZCWWHVJCCOVTF-QUCCMNQESA-N 1 0 396.491 2.299 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncnc5c4CCCC5)CC[C@H]3C2)c1 ZINC001164976429 722111997 /nfs/dbraw/zinc/11/19/97/722111997.db2.gz LOBLFFGAFCOSRE-RXVVDRJESA-N 1 0 379.508 2.478 20 0 GEADRO COc1cnnc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981722 722115311 /nfs/dbraw/zinc/11/53/11/722115311.db2.gz UXYGURRQHIYQGD-NVXWUHKLSA-N 1 0 389.887 2.261 20 0 GEADRO Cc1nc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2n1C ZINC001164983195 722118225 /nfs/dbraw/zinc/11/82/25/722118225.db2.gz YKWZRIHICHNVLS-UYAOXDASSA-N 1 0 392.507 2.399 20 0 GEADRO FC(F)Oc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164970955 722128331 /nfs/dbraw/zinc/12/83/31/722128331.db2.gz AUWGUBIKYHRHLY-WBVHZDCISA-N 1 0 391.422 2.200 20 0 GEADRO CC(C)Oc1nccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973159 722149417 /nfs/dbraw/zinc/14/94/17/722149417.db2.gz BHUWQTLWEWHDFS-OALUTQOASA-N 1 0 383.496 2.386 20 0 GEADRO COc1ncc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972181 722152047 /nfs/dbraw/zinc/15/20/47/722152047.db2.gz GJSQZJWLCOHKSE-WBVHZDCISA-N 1 0 389.887 2.261 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cnc5c(n4)CCCC5)CC[C@H]3C2)c1 ZINC001164972239 722152202 /nfs/dbraw/zinc/15/22/02/722152202.db2.gz HMIUFJOTFXYRMK-RXVVDRJESA-N 1 0 379.508 2.478 20 0 GEADRO Cc1nc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C ZINC001165000370 722250525 /nfs/dbraw/zinc/25/05/25/722250525.db2.gz HGXOCGZFTQNDOU-UHFFFAOYSA-N 1 0 378.908 2.432 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)ncc1Cl)CCC2 ZINC001165000951 722250730 /nfs/dbraw/zinc/25/07/30/722250730.db2.gz XDVANRGJDSCLAH-UHFFFAOYSA-N 1 0 385.299 2.468 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)NCCNc2nc3ccccc3s2)CCSC1 ZINC000481283514 531383773 /nfs/dbraw/zinc/38/37/73/531383773.db2.gz HWIDPUMQAOGSHO-KRWDZBQOSA-N 1 0 379.555 2.445 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000151714342 531517520 /nfs/dbraw/zinc/51/75/20/531517520.db2.gz ZOBVBYCBCKPISS-LLVKDONJSA-N 1 0 376.284 2.405 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2cc(Br)cn2C)CC1 ZINC000151511854 531506333 /nfs/dbraw/zinc/50/63/33/531506333.db2.gz QSCAWRRJIWDKNM-UHFFFAOYSA-N 1 0 385.350 2.208 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)C1CCCCC1 ZINC000151549262 531510486 /nfs/dbraw/zinc/51/04/86/531510486.db2.gz GBQRLSLJYRUXRG-CQSZACIVSA-N 1 0 397.317 2.409 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151804981 531520792 /nfs/dbraw/zinc/52/07/92/531520792.db2.gz GSQVAOULWTUXCJ-DGCLKSJQSA-N 1 0 380.286 2.437 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000007612761 531541422 /nfs/dbraw/zinc/54/14/22/531541422.db2.gz PERIFANGOLNXFS-UHFFFAOYSA-N 1 0 379.320 2.324 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000152388072 531547581 /nfs/dbraw/zinc/54/75/81/531547581.db2.gz ZZHAPAAMORIOHG-LBPRGKRZSA-N 1 0 391.281 2.440 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000152379449 531548065 /nfs/dbraw/zinc/54/80/65/531548065.db2.gz NEJKGAZMZYQRDG-UHFFFAOYSA-N 1 0 387.311 2.202 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000152179704 531535576 /nfs/dbraw/zinc/53/55/76/531535576.db2.gz VOIXBFHGPQPGOU-CYBMUJFWSA-N 1 0 386.905 2.414 20 0 GEADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000152184079 531536385 /nfs/dbraw/zinc/53/63/85/531536385.db2.gz HXTFBTYNTGFMGV-UHFFFAOYSA-N 1 0 380.432 2.225 20 0 GEADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000152595949 531561436 /nfs/dbraw/zinc/56/14/36/531561436.db2.gz UWIUUVTVWUFCBK-ZDUSSCGKSA-N 1 0 382.302 2.086 20 0 GEADRO C[C@@H](NC(=O)N(C)CCc1ccc(Br)cc1)[C@@H]1CN(C)CCO1 ZINC000152640566 531563671 /nfs/dbraw/zinc/56/36/71/531563671.db2.gz UIYFAZNGVSVQQY-CJNGLKHVSA-N 1 0 384.318 2.352 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000152873301 531574760 /nfs/dbraw/zinc/57/47/60/531574760.db2.gz NLNDPPCIPNSECP-DYVFJYSZSA-N 1 0 385.917 2.403 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1Cl ZINC000152900562 531577029 /nfs/dbraw/zinc/57/70/29/531577029.db2.gz MDKSFKUIJUWYDB-WBMJQRKESA-N 1 0 386.901 2.231 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)CS(=O)(=O)C(C)(C)C)cc1Cl ZINC000153003033 531581529 /nfs/dbraw/zinc/58/15/29/531581529.db2.gz VAVIJGSIZBQLCF-UHFFFAOYSA-N 1 0 376.906 2.432 20 0 GEADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000153102103 531589436 /nfs/dbraw/zinc/58/94/36/531589436.db2.gz LEMMTQYGXAJUSO-UHFFFAOYSA-N 1 0 381.523 2.036 20 0 GEADRO CC(C)(CNC(=O)C(=O)Nc1cncc(Br)c1)[NH+]1CCCCC1 ZINC000153535362 531603543 /nfs/dbraw/zinc/60/35/43/531603543.db2.gz UPHLVOVTXGQVBL-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000153728002 531606960 /nfs/dbraw/zinc/60/69/60/531606960.db2.gz LBMAMNGMFUVQQY-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000024767901 531608269 /nfs/dbraw/zinc/60/82/69/531608269.db2.gz LTQTUCZIZICXRG-JTQLQIEISA-N 1 0 381.782 2.427 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000153923117 531611468 /nfs/dbraw/zinc/61/14/68/531611468.db2.gz IMKZDRWOHYCPSD-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000153925998 531612957 /nfs/dbraw/zinc/61/29/57/531612957.db2.gz ZAUAWVGVNUININ-GFCCVEGCSA-N 1 0 397.317 2.409 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CCn1cnc2sccc2c1=O)c1ccsc1 ZINC000025331889 531613577 /nfs/dbraw/zinc/61/35/77/531613577.db2.gz DXLDBPKOYKPMFH-AWEZNQCLSA-N 1 0 376.507 2.329 20 0 GEADRO CC[NH+]1CCN(CC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)CC1 ZINC000154038094 531619746 /nfs/dbraw/zinc/61/97/46/531619746.db2.gz MCRVRUNFPRLOET-UHFFFAOYSA-N 1 0 389.327 2.300 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000154081162 531620496 /nfs/dbraw/zinc/62/04/96/531620496.db2.gz MZCNVIMWHNRDAM-PWSUYJOCSA-N 1 0 386.265 2.046 20 0 GEADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000154372352 531623674 /nfs/dbraw/zinc/62/36/74/531623674.db2.gz VTVXSCOTMVZXCI-OAHLLOKOSA-N 1 0 395.301 2.260 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000027761634 531626806 /nfs/dbraw/zinc/62/68/06/531626806.db2.gz FYRGPUWFVTXWQT-CQSZACIVSA-N 1 0 385.555 2.137 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccccc2Br)C1 ZINC000027672709 531627411 /nfs/dbraw/zinc/62/74/11/531627411.db2.gz BVELZEWFSHCEJQ-CQSZACIVSA-N 1 0 385.302 2.301 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1ccsc1 ZINC000154722957 531628833 /nfs/dbraw/zinc/62/88/33/531628833.db2.gz KLTSJRATBNUVTI-LSDHHAIUSA-N 1 0 389.587 2.211 20 0 GEADRO C[C@@H](NC(=O)Nc1cccc(I)c1)[C@H]1CN(C)CCO1 ZINC000154944714 531644190 /nfs/dbraw/zinc/64/41/90/531644190.db2.gz OIBALVAUOOTURC-ZWNOBZJWSA-N 1 0 389.237 2.132 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000042592248 531669025 /nfs/dbraw/zinc/66/90/25/531669025.db2.gz SCEPBASGNJALTO-UHFFFAOYSA-N 1 0 380.330 2.234 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155093065 531655097 /nfs/dbraw/zinc/65/50/97/531655097.db2.gz QYQUUQKOBKKBPH-CABCVRRESA-N 1 0 397.361 2.392 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000041669163 531666820 /nfs/dbraw/zinc/66/68/20/531666820.db2.gz FNHGYZVGBNDAOA-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000155352342 531679140 /nfs/dbraw/zinc/67/91/40/531679140.db2.gz MAUVQFVIXRDKJB-QWRGUYRKSA-N 1 0 378.270 2.455 20 0 GEADRO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000046346008 531702056 /nfs/dbraw/zinc/70/20/56/531702056.db2.gz IOQMCJBLXSYXDK-HIFRSBDPSA-N 1 0 386.286 2.464 20 0 GEADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000155900926 531703934 /nfs/dbraw/zinc/70/39/34/531703934.db2.gz ICVYAUCPGJNATN-UHFFFAOYSA-N 1 0 377.857 2.122 20 0 GEADRO O=C(c1cc(F)cc(Br)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000046742437 531707211 /nfs/dbraw/zinc/70/72/11/531707211.db2.gz ANKVKFMYEJOAOU-UHFFFAOYSA-N 1 0 384.293 2.442 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000046744222 531707796 /nfs/dbraw/zinc/70/77/96/531707796.db2.gz OCUUMUURSCUADB-UHFFFAOYSA-N 1 0 382.346 2.480 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000156295205 531727417 /nfs/dbraw/zinc/72/74/17/531727417.db2.gz YVDFGHVLENRGGU-ZJUUUORDSA-N 1 0 398.248 2.367 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(I)cc1 ZINC000048284842 531727560 /nfs/dbraw/zinc/72/75/60/531727560.db2.gz SGDUFXZACGAHRK-UHFFFAOYSA-N 1 0 388.249 2.133 20 0 GEADRO Cn1c(Cl)c(Cl)cc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000048329162 531729908 /nfs/dbraw/zinc/72/99/08/531729908.db2.gz WPDTYWUEVGTHHT-UHFFFAOYSA-N 1 0 382.295 2.409 20 0 GEADRO O=C(c1ccc(Br)cc1-n1cncn1)N1CC[NH+](CC2CC2)CC1 ZINC000156119512 531717496 /nfs/dbraw/zinc/71/74/96/531717496.db2.gz GWUODFAVAQFGOS-UHFFFAOYSA-N 1 0 390.285 2.198 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000156161879 531718327 /nfs/dbraw/zinc/71/83/27/531718327.db2.gz ZTWPRROVBDAYGC-JQWIXIFHSA-N 1 0 377.304 2.348 20 0 GEADRO CC[NH+](CC)CCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000047740398 531719160 /nfs/dbraw/zinc/71/91/60/531719160.db2.gz WXUNEECTGLRESY-OAHLLOKOSA-N 1 0 387.571 2.139 20 0 GEADRO CC(=O)NCC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000047772120 531720546 /nfs/dbraw/zinc/72/05/46/531720546.db2.gz SBATYHFEMUCJBE-CYBMUJFWSA-N 1 0 396.329 2.474 20 0 GEADRO Cn1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc(Br)c1=O ZINC000156211285 531721281 /nfs/dbraw/zinc/72/12/81/531721281.db2.gz MGUPRULRJXQORF-ZDUSSCGKSA-N 1 0 397.317 2.488 20 0 GEADRO Cn1cc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc(Br)c1=O ZINC000156211183 531721462 /nfs/dbraw/zinc/72/14/62/531721462.db2.gz MGUPRULRJXQORF-CYBMUJFWSA-N 1 0 397.317 2.488 20 0 GEADRO C[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000047905632 531721508 /nfs/dbraw/zinc/72/15/08/531721508.db2.gz YESRRHICGRQPMU-AWEZNQCLSA-N 1 0 396.329 2.417 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000049079118 531733900 /nfs/dbraw/zinc/73/39/00/531733900.db2.gz XVHVBINTBJZESX-UHFFFAOYSA-N 1 0 384.318 2.191 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000157281366 531738698 /nfs/dbraw/zinc/73/86/98/531738698.db2.gz BMEUUFUABFLETL-OAHLLOKOSA-N 1 0 382.302 2.056 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCC[NH2+]C(C)(C)C ZINC000157369325 531739543 /nfs/dbraw/zinc/73/95/43/531739543.db2.gz HCTVAJZHYCTNGJ-UHFFFAOYSA-N 1 0 391.331 2.279 20 0 GEADRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)c1nccs1 ZINC000157858924 531757602 /nfs/dbraw/zinc/75/76/02/531757602.db2.gz CNVSLSVFZXWGQC-AWEZNQCLSA-N 1 0 383.543 2.377 20 0 GEADRO C[N@H+](CCNC(=O)CCn1cc(Br)ccc1=O)Cc1ccccc1 ZINC000053349821 531760983 /nfs/dbraw/zinc/76/09/83/531760983.db2.gz ZDHQGPIPIVRZEC-UHFFFAOYSA-N 1 0 392.297 2.249 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000053404328 531762109 /nfs/dbraw/zinc/76/21/09/531762109.db2.gz ARROCQWNOCMBSH-AWEZNQCLSA-N 1 0 387.571 2.043 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)CCC(=O)c2ccc(I)cc2)C1 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386.290 2.105 20 0 GEADRO CCN1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC1=O ZINC000056996970 531817179 /nfs/dbraw/zinc/81/71/79/531817179.db2.gz SHLROYVGQWUJKQ-HNNXBMFYSA-N 1 0 396.329 2.208 20 0 GEADRO C[C@@H](CNC(=O)CN(C)C(=O)c1ccc(Br)s1)[N@H+](C)C1CC1 ZINC000057706449 531822306 /nfs/dbraw/zinc/82/23/06/531822306.db2.gz JVIFPEMBCVYYDV-JTQLQIEISA-N 1 0 388.331 2.182 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000161650826 531833187 /nfs/dbraw/zinc/83/31/87/531833187.db2.gz GDGCVXFRMMQPOC-CQSZACIVSA-N 1 0 380.432 2.077 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CSc1cccc(Br)c1 ZINC000162202777 531837655 /nfs/dbraw/zinc/83/76/55/531837655.db2.gz IHWBIRWARDQWJU-CYBMUJFWSA-N 1 0 386.359 2.293 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000061031524 531848898 /nfs/dbraw/zinc/84/88/98/531848898.db2.gz NGVKSTYKBMDDOR-INIZCTEOSA-N 1 0 383.945 2.402 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000163229848 531855506 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CC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000064030362 531863925 /nfs/dbraw/zinc/86/39/25/531863925.db2.gz DEEKIUSXBLHBNF-CYBMUJFWSA-N 1 0 377.710 2.480 20 0 GEADRO CC(=O)NCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000165213923 531870819 /nfs/dbraw/zinc/87/08/19/531870819.db2.gz HBRQYWPOMPADJZ-ZDUSSCGKSA-N 1 0 383.290 2.021 20 0 GEADRO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000067417386 531884452 /nfs/dbraw/zinc/88/44/52/531884452.db2.gz ZQOOFYFJKHQFBM-UKRRQHHQSA-N 1 0 396.329 2.474 20 0 GEADRO C[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1CC1 ZINC000067282610 531880898 /nfs/dbraw/zinc/88/08/98/531880898.db2.gz IZHTUBASKKLLHA-LBPRGKRZSA-N 1 0 380.286 2.012 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ncc(Br)cn2)CC1 ZINC000067369127 531883026 /nfs/dbraw/zinc/88/30/26/531883026.db2.gz GZRQJMRNDQNMQC-UHFFFAOYSA-N 1 0 398.349 2.160 20 0 GEADRO C[C@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCCO1 ZINC000170765674 531892733 /nfs/dbraw/zinc/89/27/33/531892733.db2.gz 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NC(=O)C1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCOCC1 ZINC000119489265 531970187 /nfs/dbraw/zinc/97/01/87/531970187.db2.gz YRJSCQCEBKYDBL-UHFFFAOYSA-N 1 0 393.228 2.422 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000120735150 531991993 /nfs/dbraw/zinc/99/19/93/531991993.db2.gz RBGWKBWCVPHNRW-RYUDHWBXSA-N 1 0 398.301 2.337 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1F ZINC000173023270 531980283 /nfs/dbraw/zinc/98/02/83/531980283.db2.gz AVBMIOQXUVBDEF-JTQLQIEISA-N 1 0 377.279 2.351 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)CCOc2ccccc2Br)CC1 ZINC000120604329 531984225 /nfs/dbraw/zinc/98/42/25/531984225.db2.gz RYDXTGMBYFNPQD-UHFFFAOYSA-N 1 0 398.345 2.362 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3)CC[C@@H]21 ZINC000120620931 531986604 /nfs/dbraw/zinc/98/66/04/531986604.db2.gz AXXNPWHSLPUYJT-DOMZBBRYSA-N 1 0 380.286 2.330 20 0 GEADRO CC[C@@H](O)CN1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000173106065 531987765 /nfs/dbraw/zinc/98/77/65/531987765.db2.gz 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GEADRO C[NH+]1CCN(c2ccc(CNC(=O)c3occc3Br)cn2)CC1 ZINC000177808123 532183438 /nfs/dbraw/zinc/18/34/38/532183438.db2.gz LDDKKDGKFXRHPA-UHFFFAOYSA-N 1 0 379.258 2.119 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@H]2CCCCNC2=O)ccc1S(=O)(=O)C(F)F ZINC000177874843 532185394 /nfs/dbraw/zinc/18/53/94/532185394.db2.gz BDYSMHUHAPEVAQ-JQWIXIFHSA-N 1 0 376.425 2.011 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2sccc2Br)CC1 ZINC000177486552 532172854 /nfs/dbraw/zinc/17/28/54/532172854.db2.gz CSQKQCFDOLKSQC-UHFFFAOYSA-N 1 0 376.320 2.109 20 0 GEADRO CC(C)[C@@H](CNC(=O)c1ccc(Br)cc1N)[NH+]1CCN(C)CC1 ZINC000177590274 532176404 /nfs/dbraw/zinc/17/64/04/532176404.db2.gz MKGCKMARSRPNBF-MRXNPFEDSA-N 1 0 383.334 2.033 20 0 GEADRO Nc1cc(Br)ccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000177589706 532176638 /nfs/dbraw/zinc/17/66/38/532176638.db2.gz VLOHIOPWAQAPLZ-UHFFFAOYSA-N 1 0 382.302 2.216 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000130253975 532191258 /nfs/dbraw/zinc/19/12/58/532191258.db2.gz CFNPXTMCXPQTNL-GDBMZVCRSA-N 1 0 397.313 2.494 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000130011514 532187982 /nfs/dbraw/zinc/18/79/82/532187982.db2.gz VIZWBTJFCXYNIF-ZDUSSCGKSA-N 1 0 379.306 2.293 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1Br ZINC000178019385 532190559 /nfs/dbraw/zinc/19/05/59/532190559.db2.gz CHYHMXMGBFIIJT-YPMHNXCESA-N 1 0 398.301 2.385 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)CCCOc2ccc(I)cc2)C1 ZINC000178580148 532206133 /nfs/dbraw/zinc/20/61/33/532206133.db2.gz BVKWPYDJVWGTND-LBPRGKRZSA-N 1 0 388.249 2.257 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C)nc3Br)C2)CC1 ZINC000132086180 532208955 /nfs/dbraw/zinc/20/89/55/532208955.db2.gz PMPMDMHFPIGKID-CQSZACIVSA-N 1 0 381.318 2.005 20 0 GEADRO C[C@@H]([NH3+])CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000178654166 532208987 /nfs/dbraw/zinc/20/89/87/532208987.db2.gz CDYYBESFSQAYKD-QWHCGFSZSA-N 1 0 387.933 2.228 20 0 GEADRO O=C(CCN1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1ccccc1Br ZINC000178825446 532213504 /nfs/dbraw/zinc/21/35/04/532213504.db2.gz JSLUCNOFCDRZME-HNNXBMFYSA-N 1 0 396.329 2.432 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000178821855 532214013 /nfs/dbraw/zinc/21/40/13/532214013.db2.gz DNTONNYVVVLWAX-BLLLJJGKSA-N 1 0 394.313 2.388 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000132404445 532215067 /nfs/dbraw/zinc/21/50/67/532215067.db2.gz JXVHWQBHHTXNFJ-UHFFFAOYSA-N 1 0 378.274 2.196 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132485098 532216552 /nfs/dbraw/zinc/21/65/52/532216552.db2.gz IHRCHFGQGSESNC-HNNXBMFYSA-N 1 0 377.432 2.491 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000178924162 532217760 /nfs/dbraw/zinc/21/77/60/532217760.db2.gz URMHNSPZANIHBX-IUODEOHRSA-N 1 0 386.901 2.231 20 0 GEADRO COc1cc(Br)c(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1OC ZINC000132618661 532218752 /nfs/dbraw/zinc/21/87/52/532218752.db2.gz WZBKZKHDVBUPCK-SECBINFHSA-N 1 0 375.288 2.500 20 0 GEADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000178513512 532203856 /nfs/dbraw/zinc/20/38/56/532203856.db2.gz LVMMLXANBNASCH-LBPRGKRZSA-N 1 0 398.301 2.279 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000179315901 532228361 /nfs/dbraw/zinc/22/83/61/532228361.db2.gz DRFRRNDXOLCOGQ-OAHLLOKOSA-N 1 0 384.293 2.329 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000179444112 532231633 /nfs/dbraw/zinc/23/16/33/532231633.db2.gz PFJXXALWRININV-LBPRGKRZSA-N 1 0 378.274 2.054 20 0 GEADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cnn2cc(Br)cnc12 ZINC000179446318 532231672 /nfs/dbraw/zinc/23/16/72/532231672.db2.gz VLQSYSKWLSNSCB-UHFFFAOYSA-N 1 0 378.274 2.096 20 0 GEADRO Cc1cc(Br)ccc1S(=O)(=O)NCC1([NH+](C)C)CCOCC1 ZINC000133335838 532232652 /nfs/dbraw/zinc/23/26/52/532232652.db2.gz CCFJYMYCFMGDMV-UHFFFAOYSA-N 1 0 391.331 2.147 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c(Br)n1 ZINC000179496501 532232930 /nfs/dbraw/zinc/23/29/30/532232930.db2.gz JQNGFTOXKAJWBX-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000132697414 532219770 /nfs/dbraw/zinc/21/97/70/532219770.db2.gz CMDPVDRJMMXIKS-LSDHHAIUSA-N 1 0 385.327 2.444 20 0 GEADRO CN(C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)[C@H]1CC[NH2+]C1 ZINC000179123517 532222794 /nfs/dbraw/zinc/22/27/94/532222794.db2.gz BYYLSRDWBJPOEG-AWEZNQCLSA-N 1 0 390.285 2.341 20 0 GEADRO C[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)CC1 ZINC000179139697 532223313 /nfs/dbraw/zinc/22/33/13/532223313.db2.gz VNTCQLRWXOAMBQ-CYBMUJFWSA-N 1 0 394.313 2.321 20 0 GEADRO COc1nc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ncc1Br ZINC000179261503 532226555 /nfs/dbraw/zinc/22/65/55/532226555.db2.gz IBMRICOQJDCJRU-ZIAGYGMSSA-N 1 0 393.285 2.295 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000133738140 532241327 /nfs/dbraw/zinc/24/13/27/532241327.db2.gz FKNLPVYBLXHOFV-IAGOWNOFSA-N 1 0 384.567 2.423 20 0 GEADRO CCOC(=O)C1(NC(=O)c2sc(C)cc2OC(F)F)CC[NH+](C)CC1 ZINC000134323199 532253933 /nfs/dbraw/zinc/25/39/33/532253933.db2.gz ICWPTYQUNJVRIV-UHFFFAOYSA-N 1 0 376.425 2.415 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000179758189 532243279 /nfs/dbraw/zinc/24/32/79/532243279.db2.gz CZLBZMFRMNDQPG-UHFFFAOYSA-N 1 0 395.301 2.244 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000179777063 532244076 /nfs/dbraw/zinc/24/40/76/532244076.db2.gz IUKJUBAUHHRGIF-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000179852466 532247982 /nfs/dbraw/zinc/24/79/82/532247982.db2.gz MMJUENZROQNSRJ-NWDGAFQWSA-N 1 0 383.290 2.080 20 0 GEADRO Brc1cc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc2c1OCCO2 ZINC000179930230 532250562 /nfs/dbraw/zinc/25/05/62/532250562.db2.gz FZYYPUOUKOSJCE-AWEZNQCLSA-N 1 0 397.313 2.374 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)c(O)c1 ZINC000133482668 532236167 /nfs/dbraw/zinc/23/61/67/532236167.db2.gz UOOODOKKGPMASP-GFCCVEGCSA-N 1 0 383.286 2.385 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000179559649 532236340 /nfs/dbraw/zinc/23/63/40/532236340.db2.gz AICFLUZLODYVCJ-LBPRGKRZSA-N 1 0 397.317 2.409 20 0 GEADRO COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000135371975 532270919 /nfs/dbraw/zinc/27/09/19/532270919.db2.gz RYLNKZIEHFCKQB-INIZCTEOSA-N 1 0 399.285 2.024 20 0 GEADRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000180425650 532271708 /nfs/dbraw/zinc/27/17/08/532271708.db2.gz GUWULOGAVIHKLF-LBPRGKRZSA-N 1 0 381.274 2.062 20 0 GEADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1 ZINC000180082558 532255949 /nfs/dbraw/zinc/25/59/49/532255949.db2.gz MKMRICOCLZFOAH-MRXNPFEDSA-N 1 0 388.295 2.405 20 0 GEADRO CC[C@@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)CCC[NH2+]1 ZINC000134461798 532256616 /nfs/dbraw/zinc/25/66/16/532256616.db2.gz ZBMDOLNICSAJAG-KRWDZBQOSA-N 1 0 382.302 2.217 20 0 GEADRO Cc1nc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)sc1Br ZINC000180084063 532256731 /nfs/dbraw/zinc/25/67/31/532256731.db2.gz CBXJAXLYNXWAJF-WCBMZHEXSA-N 1 0 382.349 2.175 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(OC)c(Br)s2)CC1 ZINC000134597082 532258083 /nfs/dbraw/zinc/25/80/83/532258083.db2.gz IDMSYFCSJDSAAN-LLVKDONJSA-N 1 0 390.347 2.275 20 0 GEADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180233751 532262043 /nfs/dbraw/zinc/26/20/43/532262043.db2.gz KHHFERZTPKJSJM-QGZVFWFLSA-N 1 0 382.551 2.184 20 0 GEADRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F ZINC000180257501 532263451 /nfs/dbraw/zinc/26/34/51/532263451.db2.gz DHAJATAPGPDNPT-GHJWDPDVSA-N 1 0 390.908 2.458 20 0 GEADRO Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000135087827 532266503 /nfs/dbraw/zinc/26/65/03/532266503.db2.gz LGDVTCHJYLQNQA-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000180341862 532267587 /nfs/dbraw/zinc/26/75/87/532267587.db2.gz SWTMVDKYDCRTJB-UHFFFAOYSA-N 1 0 391.331 2.170 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1)Nc1cccc(Cl)c1 ZINC000135666516 532278043 /nfs/dbraw/zinc/27/80/43/532278043.db2.gz YFLKIDWDQYVSNB-INIZCTEOSA-N 1 0 385.917 2.169 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)Nc1ccccc1Cl ZINC000135687760 532279198 /nfs/dbraw/zinc/27/91/98/532279198.db2.gz DJQFHGFNXBYNMJ-CQSZACIVSA-N 1 0 385.917 2.169 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cnc2ccsc2c1 ZINC000180745206 532279461 /nfs/dbraw/zinc/27/94/61/532279461.db2.gz XRSKSHFATQJJCR-ZFWWWQNUSA-N 1 0 383.539 2.435 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C2=O)ccc1Br ZINC000135961980 532280937 /nfs/dbraw/zinc/28/09/37/532280937.db2.gz LLEOZFSZUXQKCJ-SWLSCSKDSA-N 1 0 382.302 2.319 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000180819387 532282331 /nfs/dbraw/zinc/28/23/31/532282331.db2.gz CBXSTJNSTJFKKJ-QWRGUYRKSA-N 1 0 377.304 2.189 20 0 GEADRO Cc1ccc(OCCC(=O)NCCC[NH+]2CCC(O)CC2)c(Br)c1 ZINC000136134724 532282807 /nfs/dbraw/zinc/28/28/07/532282807.db2.gz GXAZOXRJIWYIBA-UHFFFAOYSA-N 1 0 399.329 2.489 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000136441426 532285021 /nfs/dbraw/zinc/28/50/21/532285021.db2.gz MRBPXKFJSMYOPN-UHFFFAOYSA-N 1 0 375.210 2.308 20 0 GEADRO O=C(N[C@H](CO)c1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000136645494 532285754 /nfs/dbraw/zinc/28/57/54/532285754.db2.gz BYXHSRMTZMRDTB-MRXNPFEDSA-N 1 0 382.302 2.409 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)c3cccc(Br)n3)CC2)c1 ZINC000136939344 532287411 /nfs/dbraw/zinc/28/74/11/532287411.db2.gz JHKFWLDJBPPAOU-UHFFFAOYSA-N 1 0 377.242 2.210 20 0 GEADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1Br ZINC000181034653 532288879 /nfs/dbraw/zinc/28/88/79/532288879.db2.gz VVXSMFKIMZPZIM-GJZGRUSLSA-N 1 0 396.329 2.033 20 0 GEADRO NC(=O)C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000182055165 532308327 /nfs/dbraw/zinc/30/83/27/532308327.db2.gz GAQXFVQGPSYUKT-HOCLYGCPSA-N 1 0 382.302 2.389 20 0 GEADRO C[C@H](NC(=O)CN(C)C[C@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000181265347 532294524 /nfs/dbraw/zinc/29/45/24/532294524.db2.gz KHHPDNUAXGIVNC-CABZTGNLSA-N 1 0 383.208 2.481 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000181295432 532295203 /nfs/dbraw/zinc/29/52/03/532295203.db2.gz NDWKFJHOQOOHLG-CYBMUJFWSA-N 1 0 383.290 2.339 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000181384486 532297491 /nfs/dbraw/zinc/29/74/91/532297491.db2.gz AELKDVABIZCSHH-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000181447736 532299336 /nfs/dbraw/zinc/29/93/36/532299336.db2.gz YGAANSLZIAQGMG-CHWSQXEVSA-N 1 0 397.317 2.267 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000150879512 532303632 /nfs/dbraw/zinc/30/36/32/532303632.db2.gz PSSQDSVRPRXKOE-TZMCWYRMSA-N 1 0 390.933 2.299 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(Cl)sc2Cl)cn1 ZINC000150918125 532304328 /nfs/dbraw/zinc/30/43/28/532304328.db2.gz VEDFDRCNUVHSKS-UHFFFAOYSA-N 1 0 390.296 2.182 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc[nH]c(=O)c1 ZINC000150974995 532305035 /nfs/dbraw/zinc/30/50/35/532305035.db2.gz QPCIOAAWFOMHCS-UHFFFAOYSA-N 1 0 378.270 2.341 20 0 GEADRO COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1Cl ZINC000181690100 532305367 /nfs/dbraw/zinc/30/53/67/532305367.db2.gz XFLPSPBFUOGCBF-NWDGAFQWSA-N 1 0 376.906 2.432 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000181751201 532305736 /nfs/dbraw/zinc/30/57/36/532305736.db2.gz SJLHGWRGQDFGCT-LLVKDONJSA-N 1 0 396.207 2.418 20 0 GEADRO COc1ccc(Br)c(CC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000151046589 532306487 /nfs/dbraw/zinc/30/64/87/532306487.db2.gz WAFAWQXZMKSORE-OAHLLOKOSA-N 1 0 399.329 2.209 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)CCc2cc(F)ccc2Br)CC1 ZINC000181800464 532306934 /nfs/dbraw/zinc/30/69/34/532306934.db2.gz LBRVJMOJBCPFFR-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2cccs2)c1 ZINC000181935006 532308204 /nfs/dbraw/zinc/30/82/04/532308204.db2.gz JHIWOJFCXGVKQY-QWHCGFSZSA-N 1 0 381.523 2.012 20 0 GEADRO C[NH2+]CCNC(=O)c1ccc(Br)cc1I ZINC000151236013 532308236 /nfs/dbraw/zinc/30/82/36/532308236.db2.gz ZYSRAFLHTFGYGW-UHFFFAOYSA-N 1 0 383.027 2.003 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000182415175 532312770 /nfs/dbraw/zinc/31/27/70/532312770.db2.gz BQDJFDVTAFKORA-QGZVFWFLSA-N 1 0 376.469 2.446 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000182592102 532315111 /nfs/dbraw/zinc/31/51/11/532315111.db2.gz ZLASQDOJVBDUCX-QWHCGFSZSA-N 1 0 375.332 2.298 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]CCCN2CCN(c3ccccc3Cl)CC2)C1 ZINC000182611553 532315408 /nfs/dbraw/zinc/31/54/08/532315408.db2.gz HOZZDKYLRFEFQJ-INIZCTEOSA-N 1 0 385.961 2.019 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000182606478 532315773 /nfs/dbraw/zinc/31/57/73/532315773.db2.gz VYKHBXXJALMATA-HUUCEWRRSA-N 1 0 395.345 2.475 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)o1 ZINC000182650266 532316170 /nfs/dbraw/zinc/31/61/70/532316170.db2.gz HNBYRRPCHSOSRT-LLVKDONJSA-N 1 0 384.226 2.358 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cnc1Br ZINC000182677724 532316439 /nfs/dbraw/zinc/31/64/39/532316439.db2.gz VXBZCLCPZOMRNX-CYBMUJFWSA-N 1 0 385.306 2.184 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)cnc1Br ZINC000182681614 532316696 /nfs/dbraw/zinc/31/66/96/532316696.db2.gz IGDVZZNBYWAVGO-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cc([C@@H](C)[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)c(C)s1 ZINC000182739336 532317139 /nfs/dbraw/zinc/31/71/39/532317139.db2.gz MCRKWIHIOGSXBY-CQSZACIVSA-N 1 0 389.587 2.192 20 0 GEADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC[N@@H+]1C ZINC000182961885 532320155 /nfs/dbraw/zinc/32/01/55/532320155.db2.gz ZKKVECNAGRPQAG-VXGBXAGGSA-N 1 0 381.420 2.126 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000183325002 532323659 /nfs/dbraw/zinc/32/36/59/532323659.db2.gz JSVDDSDZWRDJTC-UHFFFAOYSA-N 1 0 388.281 2.234 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000185337950 532337581 /nfs/dbraw/zinc/33/75/81/532337581.db2.gz ZLACARNFAKIOOV-CYBMUJFWSA-N 1 0 394.368 2.439 20 0 GEADRO Nc1cc[nH+]cc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000187231349 532343687 /nfs/dbraw/zinc/34/36/87/532343687.db2.gz JWCOITOXZNZQGY-UHFFFAOYSA-N 1 0 380.857 2.354 20 0 GEADRO CN(C)C(=O)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185820285 532338849 /nfs/dbraw/zinc/33/88/49/532338849.db2.gz FGVXOSNEPSUXPY-UHFFFAOYSA-N 1 0 379.096 2.362 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCc1ccc(Br)cc1Cl ZINC000187233963 532343710 /nfs/dbraw/zinc/34/37/10/532343710.db2.gz UCNROGOKVJKNOE-UHFFFAOYSA-N 1 0 378.698 2.216 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000186290201 532340436 /nfs/dbraw/zinc/34/04/36/532340436.db2.gz PJLADGQRVJBKLF-STQMWFEESA-N 1 0 382.452 2.092 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC1(CO)CC1 ZINC000186813336 532342036 /nfs/dbraw/zinc/34/20/36/532342036.db2.gz HACIAAPUKLGOLG-LLVKDONJSA-N 1 0 388.249 2.323 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1 ZINC000186871677 532342331 /nfs/dbraw/zinc/34/23/31/532342331.db2.gz BRINZKCGOWNDEB-CQSZACIVSA-N 1 0 376.544 2.314 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000186898508 532342449 /nfs/dbraw/zinc/34/24/49/532342449.db2.gz WTWVCOFJSIVULW-WBMJQRKESA-N 1 0 387.933 2.097 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1Br ZINC000186898607 532342491 /nfs/dbraw/zinc/34/24/91/532342491.db2.gz NYHAKGFIOJQBSQ-LLVKDONJSA-N 1 0 387.322 2.213 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000186894662 532342546 /nfs/dbraw/zinc/34/25/46/532342546.db2.gz KYWQQDMNXKJDSC-NSHDSACASA-N 1 0 399.285 2.095 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000187144347 532343388 /nfs/dbraw/zinc/34/33/88/532343388.db2.gz YTZUOZMLTPTVLY-AWEZNQCLSA-N 1 0 391.331 2.147 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183707008 532327673 /nfs/dbraw/zinc/32/76/73/532327673.db2.gz GJTVKWUYPKNNKW-LLVKDONJSA-N 1 0 396.285 2.194 20 0 GEADRO Cc1[nH]c(=S)sc1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183767172 532328811 /nfs/dbraw/zinc/32/88/11/532328811.db2.gz XKLHVXXKNQDTFI-HNNXBMFYSA-N 1 0 377.535 2.166 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183748809 532328851 /nfs/dbraw/zinc/32/88/51/532328851.db2.gz TZVDEECXLDZEQI-UHFFFAOYSA-N 1 0 384.274 2.242 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)CSc1ccc(Br)cc1C ZINC000183984853 532330468 /nfs/dbraw/zinc/33/04/68/532330468.db2.gz UNUYJDWFZTVAJD-UHFFFAOYSA-N 1 0 375.332 2.280 20 0 GEADRO CC[N@H+](CCO)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000184335512 532332336 /nfs/dbraw/zinc/33/23/36/532332336.db2.gz PVBZSKDCGJOOCQ-UHFFFAOYSA-N 1 0 375.705 2.239 20 0 GEADRO COc1cc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)sc1Br ZINC000184383087 532332715 /nfs/dbraw/zinc/33/27/15/532332715.db2.gz YFWBEXSIOQUNOK-NSHDSACASA-N 1 0 390.347 2.275 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@@H]12 ZINC000185035245 532336555 /nfs/dbraw/zinc/33/65/55/532336555.db2.gz QVWNQTHRECKCRV-IUIKQTSFSA-N 1 0 375.270 2.444 20 0 GEADRO Cc1ccc(Br)nc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000188044688 532346426 /nfs/dbraw/zinc/34/64/26/532346426.db2.gz FHQNBYTVYYTAKM-UHFFFAOYSA-N 1 0 393.285 2.418 20 0 GEADRO C[N@H+](CCOCCO)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191347719 532360558 /nfs/dbraw/zinc/36/05/58/532360558.db2.gz ZXAIYIPATXKEOJ-UHFFFAOYSA-N 1 0 376.291 2.040 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1Br ZINC000188094215 532346678 /nfs/dbraw/zinc/34/66/78/532346678.db2.gz DGZUZOPBTDGOQS-CYBMUJFWSA-N 1 0 382.302 2.415 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000188321098 532347767 /nfs/dbraw/zinc/34/77/67/532347767.db2.gz CUHUNTIWUGPZBA-JSGCOSHPSA-N 1 0 375.332 2.251 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1Br ZINC000188387877 532347919 /nfs/dbraw/zinc/34/79/19/532347919.db2.gz DJMDYSJLKFSICV-UHFFFAOYSA-N 1 0 398.301 2.388 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000188460067 532348265 /nfs/dbraw/zinc/34/82/65/532348265.db2.gz FWPPKYFJHCILCP-HNNXBMFYSA-N 1 0 391.269 2.032 20 0 GEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(Br)n1 ZINC000188579366 532348609 /nfs/dbraw/zinc/34/86/09/532348609.db2.gz KQQLKNYCJMPOHS-UHFFFAOYSA-N 1 0 384.322 2.334 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188654296 532348879 /nfs/dbraw/zinc/34/88/79/532348879.db2.gz GBJVAGUMPQAOSS-SECBINFHSA-N 1 0 381.249 2.318 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[NH+]2CCC1CC2 ZINC000188654698 532349099 /nfs/dbraw/zinc/34/90/99/532349099.db2.gz NZHXKVMCUFTSGG-UHFFFAOYSA-N 1 0 381.270 2.069 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000188708917 532349206 /nfs/dbraw/zinc/34/92/06/532349206.db2.gz XRTYEMMKLNELEW-CQSZACIVSA-N 1 0 395.345 2.153 20 0 GEADRO O[C@@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCSC1 ZINC000188748847 532349353 /nfs/dbraw/zinc/34/93/53/532349353.db2.gz WUQRLLMMSSNKAC-MRXNPFEDSA-N 1 0 387.343 2.243 20 0 GEADRO COc1nc(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)ncc1Br ZINC000191351743 532360649 /nfs/dbraw/zinc/36/06/49/532360649.db2.gz AUHKDCJEIIEOGI-AWEZNQCLSA-N 1 0 399.333 2.311 20 0 GEADRO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[NH+]2CCC1CC2 ZINC000188851734 532349847 /nfs/dbraw/zinc/34/98/47/532349847.db2.gz GHIDVRHKCXLYHL-CQSZACIVSA-N 1 0 392.297 2.109 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000189114058 532350898 /nfs/dbraw/zinc/35/08/98/532350898.db2.gz ZXZZQXXHPYTLCE-CYBMUJFWSA-N 1 0 394.368 2.439 20 0 GEADRO C[C@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)s1)C[NH+]1CCN(C)CC1 ZINC000189491250 532352383 /nfs/dbraw/zinc/35/23/83/532352383.db2.gz XXGFYXJGEWPXRU-GFCCVEGCSA-N 1 0 381.933 2.405 20 0 GEADRO Cc1cccc(CNC(=O)NCC2CC[NH+](CCO)CC2)c1Br ZINC000189559315 532352830 /nfs/dbraw/zinc/35/28/30/532352830.db2.gz HSCZTZQGDGACIT-UHFFFAOYSA-N 1 0 384.318 2.261 20 0 GEADRO CCC[C@@H]1CN(C[C@H](O)CC(F)(F)F)CC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000189709264 532353303 /nfs/dbraw/zinc/35/33/03/532353303.db2.gz HMXDNCXLXLRUSI-JHJVBQTASA-N 1 0 380.373 2.399 20 0 GEADRO C[C@H]1CN(CC(=O)Nc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000189877076 532353963 /nfs/dbraw/zinc/35/39/63/532353963.db2.gz RUUIYNMJSDEWIV-ZDUSSCGKSA-N 1 0 384.318 2.165 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)n1 ZINC000189882530 532353990 /nfs/dbraw/zinc/35/39/90/532353990.db2.gz CUGYCJMPDQGTHF-UHFFFAOYSA-N 1 0 385.877 2.146 20 0 GEADRO CCOc1c(Br)cc(CN2CC[N@H+](CCO)[C@H](C)C2)cc1OC ZINC000190246006 532355277 /nfs/dbraw/zinc/35/52/77/532355277.db2.gz LFEMNCLSTKBNJI-CYBMUJFWSA-N 1 0 387.318 2.355 20 0 GEADRO CCC(=O)CCN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000190282955 532355499 /nfs/dbraw/zinc/35/54/99/532355499.db2.gz HOCBUBWUTHUMQD-UHFFFAOYSA-N 1 0 382.302 2.374 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000190463687 532356280 /nfs/dbraw/zinc/35/62/80/532356280.db2.gz HMQXRNHOLDCFIM-GFCCVEGCSA-N 1 0 376.906 2.126 20 0 GEADRO COc1cc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)ccc1F ZINC000190520280 532356658 /nfs/dbraw/zinc/35/66/58/532356658.db2.gz KEZONTMIYUTEBD-UHFFFAOYSA-N 1 0 388.530 2.474 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000190690385 532357519 /nfs/dbraw/zinc/35/75/19/532357519.db2.gz RZYLTYZRNCGZNT-NSHDSACASA-N 1 0 391.331 2.390 20 0 GEADRO COCCOc1ccc(F)cc1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000190765906 532357802 /nfs/dbraw/zinc/35/78/02/532357802.db2.gz BMPNUQICYIQSMR-ZDUSSCGKSA-N 1 0 376.494 2.106 20 0 GEADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccon3)cc2Br)CC1 ZINC000191091414 532359472 /nfs/dbraw/zinc/35/94/72/532359472.db2.gz RNJQSQDOPDPROM-UHFFFAOYSA-N 1 0 379.258 2.437 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000191086684 532359554 /nfs/dbraw/zinc/35/95/54/532359554.db2.gz JTNLHGZJGQEZOY-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br)[N@H+](C)C1CC1 ZINC000191201815 532359887 /nfs/dbraw/zinc/35/98/87/532359887.db2.gz NZGSSGRGXMVPNQ-MRVPVSSYSA-N 1 0 390.228 2.265 20 0 GEADRO C[C@](O)(C[NH2+]Cc1cc(Br)c(Cl)s1)CN1CCOCC1 ZINC000191195072 532359972 /nfs/dbraw/zinc/35/99/72/532359972.db2.gz QELHWUMSYGENDA-ZDUSSCGKSA-N 1 0 383.739 2.337 20 0 GEADRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)C1CCS(=O)(=O)CC1 ZINC000187375079 532344146 /nfs/dbraw/zinc/34/41/46/532344146.db2.gz NMCFULRFSJXBAG-ABAIWWIYSA-N 1 0 376.316 2.285 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000187389162 532344289 /nfs/dbraw/zinc/34/42/89/532344289.db2.gz PVLHLSIGJYYRIU-LBPRGKRZSA-N 1 0 387.311 2.074 20 0 GEADRO O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@H]1C[NH2+]CCO1 ZINC000187611680 532344969 /nfs/dbraw/zinc/34/49/69/532344969.db2.gz AOUPOGKXCZPHFX-GFCCVEGCSA-N 1 0 385.649 2.420 20 0 GEADRO CO[C@@H]1COC[C@H]1[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000647242103 532372742 /nfs/dbraw/zinc/37/27/42/532372742.db2.gz GYTDDVMPCBKQBH-IAGOWNOFSA-N 1 0 397.313 2.366 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)Cc2ccccc2Br)CCSC1 ZINC000557782695 532373147 /nfs/dbraw/zinc/37/31/47/532373147.db2.gz MQOJKAJTUIJZRD-AWEZNQCLSA-N 1 0 393.372 2.306 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2Br)CC[C@H]1[NH3+] ZINC000647268606 532373223 /nfs/dbraw/zinc/37/32/23/532373223.db2.gz FCAFZMOCCNEQQM-ZWNOBZJWSA-N 1 0 377.304 2.206 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647265460 532373623 /nfs/dbraw/zinc/37/36/23/532373623.db2.gz KJZUNRCCZGLPRY-GHMZBOCLSA-N 1 0 386.315 2.299 20 0 GEADRO CS(=O)(=O)c1ccc(-c2nc(CSc3nc(N)cc(N)[nH+]3)cs2)cc1 ZINC000590449894 532374684 /nfs/dbraw/zinc/37/46/84/532374684.db2.gz QCFWFQLFGBGWNT-UHFFFAOYSA-N 1 0 393.519 2.460 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc(Br)c1 ZINC000647526104 532375493 /nfs/dbraw/zinc/37/54/93/532375493.db2.gz QKZVCBROGCSRLW-XBXGTLAGSA-N 1 0 376.316 2.364 20 0 GEADRO COc1cc2[nH+]ccc(N3CCN4C(=O)NC[C@@H]4C3)c2cc1Br ZINC000425224965 532376592 /nfs/dbraw/zinc/37/65/92/532376592.db2.gz FDTHDQBBNJLGBF-SNVBAGLBSA-N 1 0 377.242 2.220 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(I)c1 ZINC000590566094 532376911 /nfs/dbraw/zinc/37/69/11/532376911.db2.gz BOLNMUBRZNCNAW-YGRLFVJLSA-N 1 0 388.249 2.464 20 0 GEADRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)Nc2cnns2)c2cccs2)CC1 ZINC000191969771 532377419 /nfs/dbraw/zinc/37/74/19/532377419.db2.gz LMURBPSPOXWYFT-LBPRGKRZSA-N 1 0 379.511 2.128 20 0 GEADRO COC[C@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191455332 532361049 /nfs/dbraw/zinc/36/10/49/532361049.db2.gz YDYKMBVXMTZCEW-ZDUSSCGKSA-N 1 0 384.318 2.418 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1(c2ccccc2Br)CC1 ZINC000191557113 532361423 /nfs/dbraw/zinc/36/14/23/532361423.db2.gz GKQUDPUMZXAXNH-CQSZACIVSA-N 1 0 380.330 2.233 20 0 GEADRO COCC[NH+]1CCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191609418 532361576 /nfs/dbraw/zinc/36/15/76/532361576.db2.gz AWGAVJSIFKTWOE-UHFFFAOYSA-N 1 0 398.345 2.050 20 0 GEADRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2cncc(Br)c2)C1=O ZINC000191639229 532361776 /nfs/dbraw/zinc/36/17/76/532361776.db2.gz NHAADSMEJDVHDI-AWEZNQCLSA-N 1 0 378.274 2.346 20 0 GEADRO Cc1ccc([C@@H]2C[C@H]2C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000371918566 532361847 /nfs/dbraw/zinc/36/18/47/532361847.db2.gz NARLRKUNKYOLLE-BZUAXINKSA-N 1 0 384.567 2.127 20 0 GEADRO O=C(c1cccnc1Br)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000371930259 532363359 /nfs/dbraw/zinc/36/33/59/532363359.db2.gz BDKLMBFIRWBGGD-UHFFFAOYSA-N 1 0 382.302 2.419 20 0 GEADRO CC1([NH3+])CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000646994964 532363391 /nfs/dbraw/zinc/36/33/91/532363391.db2.gz BMUWUPUXQFGKAZ-LBPRGKRZSA-N 1 0 380.286 2.142 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC[C@H]1[NH3+] ZINC000647007154 532363421 /nfs/dbraw/zinc/36/34/21/532363421.db2.gz ZDKLEXZRKRHQEE-UMVBOHGHSA-N 1 0 394.313 2.388 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC[C@H]1[NH3+] ZINC000647004329 532363555 /nfs/dbraw/zinc/36/35/55/532363555.db2.gz JTIXQNREZYYFJX-VNHYZAJKSA-N 1 0 394.313 2.388 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC[C@@H]1[NH3+] ZINC000647004326 532363571 /nfs/dbraw/zinc/36/35/71/532363571.db2.gz JTIXQNREZYYFJX-IPYPFGDCSA-N 1 0 394.313 2.388 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000515460956 532364075 /nfs/dbraw/zinc/36/40/75/532364075.db2.gz YPVUWDHTHNPHBN-CYBMUJFWSA-N 1 0 384.322 2.382 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000589929594 532364129 /nfs/dbraw/zinc/36/41/29/532364129.db2.gz KZOYCIBQOLIQKY-NOZJJQNGSA-N 1 0 393.292 2.105 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000589929600 532364200 /nfs/dbraw/zinc/36/42/00/532364200.db2.gz KZOYCIBQOLIQKY-TVQRCGJNSA-N 1 0 393.292 2.105 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000647034237 532364196 /nfs/dbraw/zinc/36/41/96/532364196.db2.gz CPDFSIPRUIKTAB-JQWIXIFHSA-N 1 0 382.486 2.158 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000647034304 532364777 /nfs/dbraw/zinc/36/47/77/532364777.db2.gz HKBXDPDNOTZOAR-QWRGUYRKSA-N 1 0 383.876 2.443 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cscc2C(F)(F)F)CC1 ZINC000621668526 532365162 /nfs/dbraw/zinc/36/51/62/532365162.db2.gz HRGXKRRWNINGDW-UHFFFAOYSA-N 1 0 377.432 2.487 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000515482166 532365693 /nfs/dbraw/zinc/36/56/93/532365693.db2.gz QNKKNCSQCOVTPF-PHIMTYICSA-N 1 0 386.677 2.394 20 0 GEADRO Cc1c(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)nnn1C ZINC000425098686 532366186 /nfs/dbraw/zinc/36/61/86/532366186.db2.gz MRJCZHNJIVEACO-UHFFFAOYSA-N 1 0 395.305 2.136 20 0 GEADRO C[C@H](CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)n1cc(Br)cn1 ZINC000647089653 532366452 /nfs/dbraw/zinc/36/64/52/532366452.db2.gz FDKFISSXQMCMAY-KCXAZCMYSA-N 1 0 399.333 2.342 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590012863 532366468 /nfs/dbraw/zinc/36/64/68/532366468.db2.gz ZXXJCIYWDJZEBP-SWLSCSKDSA-N 1 0 399.276 2.174 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590012862 532366848 /nfs/dbraw/zinc/36/68/48/532366848.db2.gz ZXXJCIYWDJZEBP-IUODEOHRSA-N 1 0 399.276 2.174 20 0 GEADRO O=C(NCCN1CCc2sccc2C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000557564435 532368422 /nfs/dbraw/zinc/36/84/22/532368422.db2.gz SDPCIRZRETVIMU-KRWDZBQOSA-N 1 0 379.595 2.440 20 0 GEADRO COC(=O)c1cn([C@@H]2CCCN(Cc3cc(O)ccc3Br)C2)nn1 ZINC000372035093 532368452 /nfs/dbraw/zinc/36/84/52/532368452.db2.gz AYPCIVNDHRFLFJ-GFCCVEGCSA-N 1 0 395.257 2.370 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)CCn1cc(Br)ccc1=O ZINC000557573198 532369279 /nfs/dbraw/zinc/36/92/79/532369279.db2.gz KZVZJXZJERUUIW-UHFFFAOYSA-N 1 0 384.318 2.335 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc([C@H]4CCC[NH2+]4)no3)C2)s1 ZINC000647154035 532369850 /nfs/dbraw/zinc/36/98/50/532369850.db2.gz RUPGUXZTXOWXNF-CHWSQXEVSA-N 1 0 382.511 2.432 20 0 GEADRO OC[C@@H]1C[N@H+](C[C@H](O)COc2cccc(Br)c2)CCC1(F)F ZINC000463227280 532370122 /nfs/dbraw/zinc/37/01/22/532370122.db2.gz FMJQEUBRAXFKKC-AAEUAGOBSA-N 1 0 380.229 2.138 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1scc(C)c1I ZINC000191827821 532370501 /nfs/dbraw/zinc/37/05/01/532370501.db2.gz TUSVXPHSUZQQRK-UHFFFAOYSA-N 1 0 396.294 2.359 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)CCc2ccc(Cl)cc2)CC1 ZINC000425191345 532370880 /nfs/dbraw/zinc/37/08/80/532370880.db2.gz WYRXRIHHJMCARX-UHFFFAOYSA-N 1 0 387.977 2.218 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000463281228 532371469 /nfs/dbraw/zinc/37/14/69/532371469.db2.gz PCIKQMMQFULOFC-UHFFFAOYSA-N 1 0 379.866 2.018 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000557745314 532371573 /nfs/dbraw/zinc/37/15/73/532371573.db2.gz OXHLSIJTUFGGLN-ZDUSSCGKSA-N 1 0 396.289 2.286 20 0 GEADRO CC(C)N(C)C(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425777093 532395291 /nfs/dbraw/zinc/39/52/91/532395291.db2.gz ZOZLTZFBGRLNHS-UHFFFAOYSA-N 1 0 399.333 2.252 20 0 GEADRO COc1ccc(CCC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1Br ZINC000647707679 532380063 /nfs/dbraw/zinc/38/00/63/532380063.db2.gz BNICGGILNDBYJZ-CABCVRRESA-N 1 0 397.313 2.058 20 0 GEADRO CC(C)(C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1cccc(Br)c1 ZINC000647707625 532380228 /nfs/dbraw/zinc/38/02/28/532380228.db2.gz AURBWDZLHSPYTD-HZPDHXFCSA-N 1 0 381.314 2.394 20 0 GEADRO C[C@@H](Sc1nncn1C)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000647697266 532380314 /nfs/dbraw/zinc/38/03/14/532380314.db2.gz KTNMXWUFPOMLNA-TZMCWYRMSA-N 1 0 381.933 2.411 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000677654399 532380356 /nfs/dbraw/zinc/38/03/56/532380356.db2.gz WJJBBZYGRCXIDX-HNNXBMFYSA-N 1 0 386.721 2.453 20 0 GEADRO O=C(N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000647708164 532380550 /nfs/dbraw/zinc/38/05/50/532380550.db2.gz JNODYIOOGNJMOF-JKSUJKDBSA-N 1 0 379.298 2.148 20 0 GEADRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000647710567 532380666 /nfs/dbraw/zinc/38/06/66/532380666.db2.gz FSKJNMMIVCMRRM-SNVBAGLBSA-N 1 0 388.251 2.213 20 0 GEADRO CN1Cc2ccccc2[C@@H](NC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000372297147 532381273 /nfs/dbraw/zinc/38/12/73/532381273.db2.gz YTUAMYLDLFDOGI-ZDUSSCGKSA-N 1 0 392.253 2.075 20 0 GEADRO O=S1(=O)CC[C@H](CC[NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC000677684963 532381413 /nfs/dbraw/zinc/38/14/13/532381413.db2.gz OEOQGCHHRPTNOR-LBPRGKRZSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H](CNC(=O)N(C)CCn1cc(Br)cn1)C[NH+]1CCCCC1 ZINC000558067202 532383518 /nfs/dbraw/zinc/38/35/18/532383518.db2.gz XWANDGIJKJOVAW-AWEZNQCLSA-N 1 0 386.338 2.409 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cccnc1OCC(F)F)[NH+]1CCC(C)CC1 ZINC000647897080 532384031 /nfs/dbraw/zinc/38/40/31/532384031.db2.gz KVTSIFDQZBVYGR-CYBMUJFWSA-N 1 0 377.457 2.124 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)C1 ZINC000677890598 532384936 /nfs/dbraw/zinc/38/49/36/532384936.db2.gz AOUXEPFJBCOKSW-CQSZACIVSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccnc1OCC(F)F ZINC000647905144 532385107 /nfs/dbraw/zinc/38/51/07/532385107.db2.gz FFONOYSOQMLBJN-OLZOCXBDSA-N 1 0 377.457 2.124 20 0 GEADRO COCC(C)(C)[NH+]1CCN(C(=O)C[C@@H](C)n2cc(Br)cn2)CC1 ZINC000648425284 532395632 /nfs/dbraw/zinc/39/56/32/532395632.db2.gz DZSGSOWVQANVDH-CYBMUJFWSA-N 1 0 387.322 2.166 20 0 GEADRO CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C(N)=O)c1cccc(Br)c1 ZINC000372358438 532386913 /nfs/dbraw/zinc/38/69/13/532386913.db2.gz IRJBEHFAPCDARG-IKGGRYGDSA-N 1 0 394.313 2.451 20 0 GEADRO O=C(c1ccc(I)cn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000590801140 532387564 /nfs/dbraw/zinc/38/75/64/532387564.db2.gz CJVCWTPKARSHFB-UHFFFAOYSA-N 1 0 394.216 2.044 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3ccc(F)cc3Br)CC2)C1 ZINC000372379509 532388410 /nfs/dbraw/zinc/38/84/10/532388410.db2.gz ZKJLICBQNIZIHM-MRXNPFEDSA-N 1 0 398.320 2.369 20 0 GEADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cncc(I)c1 ZINC000279146895 532388995 /nfs/dbraw/zinc/38/89/95/532388995.db2.gz YYOPQPMEODJSLZ-UHFFFAOYSA-N 1 0 385.249 2.290 20 0 GEADRO COC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCCO1 ZINC000279137260 532389183 /nfs/dbraw/zinc/38/91/83/532389183.db2.gz WZNOPUITKNSUPC-HUUCEWRRSA-N 1 0 392.315 2.006 20 0 GEADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000294915835 532390452 /nfs/dbraw/zinc/39/04/52/532390452.db2.gz YJJAPYOHTOKWFC-JKSUJKDBSA-N 1 0 390.343 2.300 20 0 GEADRO O=C(NCc1ccc(Br)s1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590855713 532390522 /nfs/dbraw/zinc/39/05/22/532390522.db2.gz QVHKUXLUNFHXET-QWHCGFSZSA-N 1 0 388.331 2.251 20 0 GEADRO OCCC[NH+]1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000623911551 532390842 /nfs/dbraw/zinc/39/08/42/532390842.db2.gz FIYUZXLYVPNBEM-UHFFFAOYSA-N 1 0 377.286 2.411 20 0 GEADRO CC(C)CNC(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425723715 532391145 /nfs/dbraw/zinc/39/11/45/532391145.db2.gz JTYNEUSMFHCMEQ-UHFFFAOYSA-N 1 0 399.333 2.158 20 0 GEADRO OC1CCN(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000294919903 532391262 /nfs/dbraw/zinc/39/12/62/532391262.db2.gz SXSVBATZDPGYJK-UHFFFAOYSA-N 1 0 379.302 2.386 20 0 GEADRO C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(I)cc2)CC1 ZINC000294910766 532391367 /nfs/dbraw/zinc/39/13/67/532391367.db2.gz AYYOVWWMRCLKRE-UHFFFAOYSA-N 1 0 387.309 2.407 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)C[C@H]2C1 ZINC000279250733 532391880 /nfs/dbraw/zinc/39/18/80/532391880.db2.gz VJTHHHNJCXLELW-BETUJISGSA-N 1 0 375.270 2.473 20 0 GEADRO Cc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000648281008 532391976 /nfs/dbraw/zinc/39/19/76/532391976.db2.gz IGFFCHIHWFDUHZ-SJORKVTESA-N 1 0 381.314 2.358 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1cccc(Br)c1 ZINC000372426015 532392248 /nfs/dbraw/zinc/39/22/48/532392248.db2.gz KYOVJIJCGLWUFI-KEYYUXOJSA-N 1 0 381.270 2.169 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000648323151 532394189 /nfs/dbraw/zinc/39/41/89/532394189.db2.gz LRRYCOXVAKZTIR-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1Br ZINC000372521523 532395772 /nfs/dbraw/zinc/39/57/72/532395772.db2.gz IXDQOZGZWCUSHJ-NDNKKMJESA-N 1 0 395.297 2.450 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C ZINC000558529727 532394378 /nfs/dbraw/zinc/39/43/78/532394378.db2.gz QOSAQWVLAGVLMF-OAHLLOKOSA-N 1 0 389.949 2.101 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000678584506 532397777 /nfs/dbraw/zinc/39/77/77/532397777.db2.gz RKWREFFBOZUVCZ-UHFFFAOYSA-N 1 0 386.945 2.402 20 0 GEADRO Fc1c(Br)cccc1C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000648452349 532397918 /nfs/dbraw/zinc/39/79/18/532397918.db2.gz YIXQAXVMTHSDMG-OAHLLOKOSA-N 1 0 386.309 2.084 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000648448798 532397947 /nfs/dbraw/zinc/39/79/47/532397947.db2.gz KKBWSDRWXOHILD-UHFFFAOYSA-N 1 0 379.551 2.444 20 0 GEADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000558721785 532398338 /nfs/dbraw/zinc/39/83/38/532398338.db2.gz MKGDDTSDDSZNGX-WDEREUQCSA-N 1 0 382.258 2.134 20 0 GEADRO O=C(Nc1ccc(Br)c(I)c1)NC1C[NH2+]C1 ZINC000516914665 532395960 /nfs/dbraw/zinc/39/59/60/532395960.db2.gz BXBHFHMNQQKENK-UHFFFAOYSA-N 1 0 396.026 2.147 20 0 GEADRO O[C@H](CNC[C@@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)cc1Cl ZINC000516970525 532400741 /nfs/dbraw/zinc/40/07/41/532400741.db2.gz RPWHTTJZKBDBCU-HUUCEWRRSA-N 1 0 377.312 2.170 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)[C@H]2C1 ZINC000559439618 532402846 /nfs/dbraw/zinc/40/28/46/532402846.db2.gz KJUVDMMLFFBDFF-CJNGLKHVSA-N 1 0 381.929 2.101 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@H](C)n1cc(Br)cn1 ZINC000648816611 532402982 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GEADRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000464860126 532405679 /nfs/dbraw/zinc/40/56/79/532405679.db2.gz YOXZRZRFXZEUST-CQSZACIVSA-N 1 0 387.571 2.339 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c(Br)c1 ZINC000295128921 532406129 /nfs/dbraw/zinc/40/61/29/532406129.db2.gz OHEMRAOKQOLVTH-OAHLLOKOSA-N 1 0 385.302 2.172 20 0 GEADRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000464860125 532406347 /nfs/dbraw/zinc/40/63/47/532406347.db2.gz YOXZRZRFXZEUST-AWEZNQCLSA-N 1 0 387.571 2.339 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000517143868 532406386 /nfs/dbraw/zinc/40/63/86/532406386.db2.gz FPRBKRQEQBPEQN-NSHDSACASA-N 1 0 379.309 2.369 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000517123269 532406511 /nfs/dbraw/zinc/40/65/11/532406511.db2.gz RELBVWPCXURSCP-UHFFFAOYSA-N 1 0 382.302 2.496 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000192739890 532406643 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CC[N@H+](CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F)C1CC1 ZINC000280225413 532409843 /nfs/dbraw/zinc/40/98/43/532409843.db2.gz LQZPUFYWVUIFMO-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO O=S1(=O)CCC(C[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000591356003 532409894 /nfs/dbraw/zinc/40/98/94/532409894.db2.gz AYHIWDXVRKCXPD-UHFFFAOYSA-N 1 0 397.253 2.345 20 0 GEADRO [NH3+]C/C=C/CNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000591351967 532409905 /nfs/dbraw/zinc/40/99/05/532409905.db2.gz MNZKTBALPUJBNK-OWOJBTEDSA-N 1 0 388.331 2.375 20 0 GEADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C2 ZINC000372786938 532410023 /nfs/dbraw/zinc/41/00/23/532410023.db2.gz RSDYPPNSSSNNQD-CRAIPNDOSA-N 1 0 394.313 2.299 20 0 GEADRO [NH3+]C/C=C\CNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000591357812 532410100 /nfs/dbraw/zinc/41/01/00/532410100.db2.gz SZFMUNTUPPSRAA-UPHRSURJSA-N 1 0 379.629 2.259 20 0 GEADRO COc1cc(I)c(Cl)cc1CNC(=O)NC[C@@H](C)[NH3+] ZINC000591357398 532410122 /nfs/dbraw/zinc/41/01/22/532410122.db2.gz IUUYWJLYAQEXML-SSDOTTSWSA-N 1 0 397.644 2.100 20 0 GEADRO CCCc1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000560036884 532410196 /nfs/dbraw/zinc/41/01/96/532410196.db2.gz OBBFTAIGCQYGIP-OAHLLOKOSA-N 1 0 387.977 2.454 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1I ZINC000591357828 532410351 /nfs/dbraw/zinc/41/03/51/532410351.db2.gz DUDBEFTVRZQWGZ-UKRRQHHQSA-N 1 0 399.276 2.493 20 0 GEADRO C[C@H]([NH3+])CNC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000591361207 532410388 /nfs/dbraw/zinc/41/03/88/532410388.db2.gz KTFMFUJIUDIYSO-WCQYABFASA-N 1 0 387.265 2.212 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)C[C@H](C)O1 ZINC000517231325 532410440 /nfs/dbraw/zinc/41/04/40/532410440.db2.gz AEJNDHQULKYDTD-AHIWAGSCSA-N 1 0 396.329 2.490 20 0 GEADRO CS(=O)(=O)C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000559893273 532408313 /nfs/dbraw/zinc/40/83/13/532408313.db2.gz KGQPQQCKAMNGSI-UKRRQHHQSA-N 1 0 387.343 2.441 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000559895417 532408587 /nfs/dbraw/zinc/40/85/87/532408587.db2.gz QPIWUXWULSYZRU-HNNXBMFYSA-N 1 0 398.345 2.234 20 0 GEADRO C[N@@H+]1C[C@@H](CNC(=O)c2cc(S(C)(=O)=O)cs2)[C@H](c2ccccc2)C1 ZINC000649102682 532412416 /nfs/dbraw/zinc/41/24/16/532412416.db2.gz HEMLMECBUJFJEO-ZBFHGGJFSA-N 1 0 378.519 2.227 20 0 GEADRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280339373 532412625 /nfs/dbraw/zinc/41/26/25/532412625.db2.gz RESPTUPHZCCCEI-HNNXBMFYSA-N 1 0 387.933 2.301 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)Cc2csc(Br)c2)C[C@H](C)O1 ZINC000517321140 532412721 /nfs/dbraw/zinc/41/27/21/532412721.db2.gz VJWFTUWOFMHBQI-SCRDCRAPSA-N 1 0 377.348 2.413 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3sccc3Br)CC2)C1 ZINC000648954168 532410830 /nfs/dbraw/zinc/41/08/30/532410830.db2.gz HIHXEULNHLDJLQ-CYBMUJFWSA-N 1 0 386.359 2.292 20 0 GEADRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(Cl)c1Cl ZINC000648939688 532410933 /nfs/dbraw/zinc/41/09/33/532410933.db2.gz LRBXYWCJBVUGPW-AWEZNQCLSA-N 1 0 386.323 2.438 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc4cccnc43)C[C@@H]21 ZINC000517290651 532413646 /nfs/dbraw/zinc/41/36/46/532413646.db2.gz HVRNOCCZQXYKKL-OCCSQVGLSA-N 1 0 396.310 2.322 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCc1cc(OC)ccc1Br ZINC000591567894 532414001 /nfs/dbraw/zinc/41/40/01/532414001.db2.gz FVDVZFKBXNVZCV-UHFFFAOYSA-N 1 0 388.306 2.177 20 0 GEADRO COC[C@]1(C(=O)OC)CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000295175748 532414401 /nfs/dbraw/zinc/41/44/01/532414401.db2.gz OYUJBMWSURIEPJ-KRWDZBQOSA-N 1 0 399.285 2.289 20 0 GEADRO Cc1cc(Br)ccc1SCC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000517424671 532416958 /nfs/dbraw/zinc/41/69/58/532416958.db2.gz LBSFHDQEMAKTCA-KRWDZBQOSA-N 1 0 399.354 2.423 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000193001218 532416963 /nfs/dbraw/zinc/41/69/63/532416963.db2.gz WNVADCILGKFZHF-AWEZNQCLSA-N 1 0 394.313 2.404 20 0 GEADRO Nc1ncc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192985120 532415032 /nfs/dbraw/zinc/41/50/32/532415032.db2.gz KOOZEXKANLSVTG-AWEZNQCLSA-N 1 0 380.901 2.118 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCc2ccc(Br)s2)C[C@@H](C)O1 ZINC000517358704 532415175 /nfs/dbraw/zinc/41/51/75/532415175.db2.gz KSLOQXRYRDEVIE-UPJWGTAASA-N 1 0 377.348 2.113 20 0 GEADRO Cn1ncc(Br)c1C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000649199232 532416031 /nfs/dbraw/zinc/41/60/31/532416031.db2.gz UZANGBSURWTEIT-NSHDSACASA-N 1 0 379.258 2.152 20 0 GEADRO CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280924046 532416283 /nfs/dbraw/zinc/41/62/83/532416283.db2.gz RISMQYXULYKOOF-BXUZGUMPSA-N 1 0 396.962 2.112 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Br ZINC000193035312 532418651 /nfs/dbraw/zinc/41/86/51/532418651.db2.gz WOSSWSVFELPBLI-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000560493825 532417821 /nfs/dbraw/zinc/41/78/21/532417821.db2.gz ZIKBVUVBAATWQP-ZDUSSCGKSA-N 1 0 383.286 2.489 20 0 GEADRO COc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)c1O ZINC000680649861 532419209 /nfs/dbraw/zinc/41/92/09/532419209.db2.gz GVWWOJDGIIEHRK-CQSZACIVSA-N 1 0 385.302 2.460 20 0 GEADRO C[C@@H]1CCCN(C(=O)COc2cccc(I)c2)[C@H]1C[NH3+] ZINC000591676274 532419719 /nfs/dbraw/zinc/41/97/19/532419719.db2.gz IRFLUGMAROHCMU-RISCZKNCSA-N 1 0 388.249 2.256 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccccc2Br)CC1 ZINC000517577726 532419883 /nfs/dbraw/zinc/41/98/83/532419883.db2.gz QHLNMOHBDXSGPU-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCC[N@@H+]1C ZINC000427297659 532419895 /nfs/dbraw/zinc/41/98/95/532419895.db2.gz VQCVXKATFYMMNN-GZMMTYOYSA-N 1 0 390.228 2.265 20 0 GEADRO COC[C@]1(CNC(=O)c2ccc(C)c(I)c2)CCC[NH2+]1 ZINC000591683413 532420324 /nfs/dbraw/zinc/42/03/24/532420324.db2.gz MTYKIMRYNUKSTH-OAHLLOKOSA-N 1 0 388.249 2.098 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000372934679 532420578 /nfs/dbraw/zinc/42/05/78/532420578.db2.gz NRKLTLNVYYGBPF-SNVBAGLBSA-N 1 0 377.229 2.256 20 0 GEADRO C[NH+](C)CCN1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000649686515 532422784 /nfs/dbraw/zinc/42/27/84/532422784.db2.gz LCGXBUQTKQOSRT-UHFFFAOYSA-N 1 0 387.311 2.028 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1ccccc1Br ZINC000281235187 532422800 /nfs/dbraw/zinc/42/28/00/532422800.db2.gz LIDPXKSTDVEHJO-AWEZNQCLSA-N 1 0 382.346 2.479 20 0 GEADRO C[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000649706071 532422839 /nfs/dbraw/zinc/42/28/39/532422839.db2.gz UORZOTSMRZIMJD-VUCTXSBTSA-N 1 0 375.296 2.138 20 0 GEADRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000295222235 532421674 /nfs/dbraw/zinc/42/16/74/532421674.db2.gz RBTKCWMFYGXWJC-YWPYICTPSA-N 1 0 387.318 2.459 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1)c1cccs1 ZINC000193353708 532421700 /nfs/dbraw/zinc/42/17/00/532421700.db2.gz YCUATBALBRYNIO-QGZVFWFLSA-N 1 0 380.535 2.094 20 0 GEADRO COC[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)[C@H]1CCCO1 ZINC000625379723 532422013 /nfs/dbraw/zinc/42/20/13/532422013.db2.gz ULSGJAJLEKBVPY-OWCLPIDISA-N 1 0 383.286 2.486 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000591766250 532422016 /nfs/dbraw/zinc/42/20/16/532422016.db2.gz PLNGNMAHNHNKIA-ZANVPECISA-N 1 0 376.222 2.316 20 0 GEADRO C[NH+](C)CCOc1cc(C(=O)N2CCSC[C@@H]2c2nccs2)ccn1 ZINC000681206045 532424153 /nfs/dbraw/zinc/42/41/53/532424153.db2.gz RVLPIEFAXNCLSW-CQSZACIVSA-N 1 0 378.523 2.409 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C)c(I)c1 ZINC000517741410 532425093 /nfs/dbraw/zinc/42/50/93/532425093.db2.gz NCBSVMKPDZSLCE-NSHDSACASA-N 1 0 396.294 2.395 20 0 GEADRO C[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)Oc1ccc(Br)cc1 ZINC000466373311 532425541 /nfs/dbraw/zinc/42/55/41/532425541.db2.gz LVWVTTWZOAGUQX-ZDUSSCGKSA-N 1 0 393.285 2.445 20 0 GEADRO CSCC1CCC([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)CC1 ZINC000295257406 532425836 /nfs/dbraw/zinc/42/58/36/532425836.db2.gz UVSYWXKOXZDOBJ-UHFFFAOYSA-N 1 0 386.583 2.311 20 0 GEADRO COC1CC[NH+](CCNS(=O)(=O)c2cccc3c(Cl)ccnc32)CC1 ZINC000649829856 532426815 /nfs/dbraw/zinc/42/68/15/532426815.db2.gz ZANRJNFTSWJYBE-UHFFFAOYSA-N 1 0 383.901 2.277 20 0 GEADRO O=C1NC[C@]2(CCCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)O1 ZINC000373028136 532426285 /nfs/dbraw/zinc/42/62/85/532426285.db2.gz KXDLKNADNUNTNQ-PBHICJAKSA-N 1 0 394.269 2.129 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000625419476 532426308 /nfs/dbraw/zinc/42/63/08/532426308.db2.gz IVFRVMLVANYBJJ-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000517783568 532426534 /nfs/dbraw/zinc/42/65/34/532426534.db2.gz RXPZVURRVHPSSM-OAHLLOKOSA-N 1 0 380.432 2.051 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000427606291 532427490 /nfs/dbraw/zinc/42/74/90/532427490.db2.gz JHDSOPNVYPQNIS-DQYPLSBCSA-N 1 0 386.323 2.481 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000561003714 532427715 /nfs/dbraw/zinc/42/77/15/532427715.db2.gz SDWNOKXQMTVIGF-UHFFFAOYSA-N 1 0 386.290 2.291 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000295284910 532430204 /nfs/dbraw/zinc/43/02/04/532430204.db2.gz WPASCHNBDQIXQD-UHFFFAOYSA-N 1 0 379.295 2.349 20 0 GEADRO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000466535754 532430327 /nfs/dbraw/zinc/43/03/27/532430327.db2.gz HZKRUFXALONSRI-HZPDHXFCSA-N 1 0 384.929 2.368 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000281675888 532430846 /nfs/dbraw/zinc/43/08/46/532430846.db2.gz MIRKNLFUFJQDMQ-UHFFFAOYSA-N 1 0 392.656 2.391 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000193698498 532431260 /nfs/dbraw/zinc/43/12/60/532431260.db2.gz NYDYYYIHBMDJJU-GFCCVEGCSA-N 1 0 388.295 2.218 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(F)cc1Br ZINC000193688605 532431352 /nfs/dbraw/zinc/43/13/52/532431352.db2.gz TYBZWUBCYQPDDJ-GFCCVEGCSA-N 1 0 386.265 2.048 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000193703907 532431411 /nfs/dbraw/zinc/43/14/11/532431411.db2.gz NQRPBUOOKDJTBM-GFCCVEGCSA-N 1 0 386.265 2.048 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)c2cc(F)c(F)cc2Br)CC1(C)C ZINC000281823620 532435778 /nfs/dbraw/zinc/43/57/78/532435778.db2.gz RICUPBJCKQGIEQ-UHFFFAOYSA-N 1 0 390.272 2.483 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(Br)c(F)c2F)C1 ZINC000626166370 532435924 /nfs/dbraw/zinc/43/59/24/532435924.db2.gz UFPXIDWUCZGFAF-SNVBAGLBSA-N 1 0 397.285 2.489 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000281803075 532434004 /nfs/dbraw/zinc/43/40/04/532434004.db2.gz TWRDPGTVUSJSQP-UHFFFAOYSA-N 1 0 396.285 2.338 20 0 GEADRO O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000518026664 532434367 /nfs/dbraw/zinc/43/43/67/532434367.db2.gz MIMSPJQINKKRAS-CYBMUJFWSA-N 1 0 381.267 2.107 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000193989292 532441364 /nfs/dbraw/zinc/44/13/64/532441364.db2.gz WKQGQFLDAFPZPK-UHFFFAOYSA-N 1 0 381.929 2.409 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000295368213 532438393 /nfs/dbraw/zinc/43/83/93/532438393.db2.gz ZPNGMOJKBFGENS-JOYOIKCWSA-N 1 0 396.738 2.458 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000427979546 532439004 /nfs/dbraw/zinc/43/90/04/532439004.db2.gz ITPDSJJHMSCNKE-JTQLQIEISA-N 1 0 379.295 2.000 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1cnc2ncc(Br)cc2c1 ZINC000681974634 532439166 /nfs/dbraw/zinc/43/91/66/532439166.db2.gz KYIGGGWBXYMDPS-UHFFFAOYSA-N 1 0 393.285 2.235 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000295368206 532439181 /nfs/dbraw/zinc/43/91/81/532439181.db2.gz ZPNGMOJKBFGENS-BXKDBHETSA-N 1 0 396.738 2.458 20 0 GEADRO CC(C)(C)c1csc([C@H]2CN(S(=O)(=O)CC[NH+]3CCCC3)CCO2)n1 ZINC000193957276 532439335 /nfs/dbraw/zinc/43/93/35/532439335.db2.gz NVUWCMAVBQZMNP-CQSZACIVSA-N 1 0 387.571 2.240 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)c2cc(Br)ncc2Cl)CC1(C)C ZINC000281865125 532440017 /nfs/dbraw/zinc/44/00/17/532440017.db2.gz VUHNELSBKZCUIJ-UHFFFAOYSA-N 1 0 389.725 2.253 20 0 GEADRO Cc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000682095596 532440433 /nfs/dbraw/zinc/44/04/33/532440433.db2.gz LHFLHMBLZIBAIT-SJORKVTESA-N 1 0 381.314 2.358 20 0 GEADRO Cc1ccc(CC(=O)NCCCN2CCC[N@@H+](C)CC2)cc1Br ZINC000682160269 532442218 /nfs/dbraw/zinc/44/22/18/532442218.db2.gz VEJFGBIEISLCFE-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1Br ZINC000626836871 532442305 /nfs/dbraw/zinc/44/23/05/532442305.db2.gz UZONTUGRZPLPDU-HNNXBMFYSA-N 1 0 386.315 2.307 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626835259 532442349 /nfs/dbraw/zinc/44/23/49/532442349.db2.gz GXHJYXWHUDGCER-MADCSZMMSA-N 1 0 392.656 2.294 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295385893 532442387 /nfs/dbraw/zinc/44/23/87/532442387.db2.gz HFIDWFCMSBCHKY-UKRRQHHQSA-N 1 0 385.302 2.179 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000626835951 532442696 /nfs/dbraw/zinc/44/26/96/532442696.db2.gz MYFXGWIVGGLPKD-MWLCHTKSSA-N 1 0 386.315 2.366 20 0 GEADRO Cc1cc(Br)cn2c(CN3CC[N@H+](CCO)C(C)(C)C3)cnc12 ZINC000682167026 532442837 /nfs/dbraw/zinc/44/28/37/532442837.db2.gz XXYLRHPMNSTJOJ-UHFFFAOYSA-N 1 0 381.318 2.294 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccnc3-n3cc(Br)cn3)C2)C1 ZINC000295426776 532445878 /nfs/dbraw/zinc/44/58/78/532445878.db2.gz KLSBEYQQMMKPTD-QGZVFWFLSA-N 1 0 390.285 2.198 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1Br ZINC000626841119 532444165 /nfs/dbraw/zinc/44/41/65/532444165.db2.gz OYJHYPUDNQOIQO-UHFFFAOYSA-N 1 0 386.315 2.355 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000682243401 532444389 /nfs/dbraw/zinc/44/43/89/532444389.db2.gz QGGGGRWJQZXDLF-IAGOWNOFSA-N 1 0 396.329 2.498 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CCC1 ZINC000682169012 532441955 /nfs/dbraw/zinc/44/19/55/532441955.db2.gz WZVXHNRVABHFDX-OAHLLOKOSA-N 1 0 394.313 2.403 20 0 GEADRO Cn1ccnc1[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C1CC1 ZINC000467420181 532446556 /nfs/dbraw/zinc/44/65/56/532446556.db2.gz SIDZXHYVAHCQRM-MRXNPFEDSA-N 1 0 382.917 2.483 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295440559 532447042 /nfs/dbraw/zinc/44/70/42/532447042.db2.gz LJWNWLVMAVVABA-UKRRQHHQSA-N 1 0 385.302 2.179 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc(Br)c1OC ZINC000626959263 532447174 /nfs/dbraw/zinc/44/71/74/532447174.db2.gz ANNYVEGONKVRRV-ZYHUDNBSSA-N 1 0 386.290 2.406 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000626949723 532447181 /nfs/dbraw/zinc/44/71/81/532447181.db2.gz VXONTKHCKXCCPF-WOSRLPQWSA-N 1 0 381.318 2.325 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)NCc1nnc2n1CCCCC2 ZINC000428243111 532447219 /nfs/dbraw/zinc/44/72/19/532447219.db2.gz NJEWNTFSJQJZIJ-LBPRGKRZSA-N 1 0 380.290 2.107 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C[NH2+]1 ZINC000626945270 532447473 /nfs/dbraw/zinc/44/74/73/532447473.db2.gz AOBJUJOENXHHII-SMDDNHRTSA-N 1 0 383.290 2.217 20 0 GEADRO C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000626944727 532447664 /nfs/dbraw/zinc/44/76/64/532447664.db2.gz VWFKLIFBSLMFEM-OUJBWJOFSA-N 1 0 384.274 2.331 20 0 GEADRO C[N@@H+]1CCN(C(=O)CCn2cc(Br)ccc2=O)C2(CCCCC2)C1 ZINC000467466293 532447814 /nfs/dbraw/zinc/44/78/14/532447814.db2.gz IMBOXOYXWAGTNW-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC1C[NH2+]C1 ZINC000592317689 532448642 /nfs/dbraw/zinc/44/86/42/532448642.db2.gz MIWXLHKVFIMOIO-AWEZNQCLSA-N 1 0 390.336 2.181 20 0 GEADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627272752 532448876 /nfs/dbraw/zinc/44/88/76/532448876.db2.gz UAYYSYOYQDKGMJ-YNLVQLNVSA-N 1 0 391.309 2.002 20 0 GEADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627270968 532448901 /nfs/dbraw/zinc/44/89/01/532448901.db2.gz ORVYUAFKUSRLJL-YQQAZPJKSA-N 1 0 379.298 2.146 20 0 GEADRO O=C(CCC(=O)N1CCC[NH2+]CC1)c1ccc(I)cc1 ZINC000428418275 532451946 /nfs/dbraw/zinc/45/19/46/532451946.db2.gz KLRDBFRLODJYSE-UHFFFAOYSA-N 1 0 386.233 2.076 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@@H]3CCCC[NH2+]3)ccc2s1 ZINC000592367194 532452226 /nfs/dbraw/zinc/45/22/26/532452226.db2.gz LHKBYSJMWDDMAL-ZDUSSCGKSA-N 1 0 382.507 2.498 20 0 GEADRO CC[NH+]1CCN(CCC[NH2+]Cc2ccc(I)cc2)CC1 ZINC000295470833 532450671 /nfs/dbraw/zinc/45/06/71/532450671.db2.gz RKQKRQUVYIGOJS-UHFFFAOYSA-N 1 0 387.309 2.408 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000518972940 532450877 /nfs/dbraw/zinc/45/08/77/532450877.db2.gz UAHLFNVGHKXVBN-AWEZNQCLSA-N 1 0 389.327 2.307 20 0 GEADRO C[C@H](NC(=O)N(C)Cc1ccc(F)cc1Br)[C@H]1CN(C)CCO1 ZINC000682876768 532451279 /nfs/dbraw/zinc/45/12/79/532451279.db2.gz HRWDQXWFSNLNFO-XHDPSFHLSA-N 1 0 388.281 2.449 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)C1 ZINC000428418517 532451502 /nfs/dbraw/zinc/45/15/02/532451502.db2.gz GHOVPHUCXRRZQF-IUODEOHRSA-N 1 0 382.302 2.024 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000519018290 532452770 /nfs/dbraw/zinc/45/27/70/532452770.db2.gz FUNQNVUTHPQXGM-ZDUSSCGKSA-N 1 0 399.333 2.208 20 0 GEADRO C[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)Oc1ccc(Br)cc1 ZINC000467710922 532452869 /nfs/dbraw/zinc/45/28/69/532452869.db2.gz ORVSKQJYNTVJRO-RLAWYHOSSA-N 1 0 395.297 2.147 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000282286363 532454475 /nfs/dbraw/zinc/45/44/75/532454475.db2.gz VYXXAXLIWOCYSH-AWEZNQCLSA-N 1 0 386.290 2.150 20 0 GEADRO O=C(NCC[NH+]1CCCC1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000194772488 532455310 /nfs/dbraw/zinc/45/53/10/532455310.db2.gz BRHMTTHDJRIAKU-UHFFFAOYSA-N 1 0 399.563 2.114 20 0 GEADRO O=S(=O)(CCOCC(F)(F)F)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000562005355 532455639 /nfs/dbraw/zinc/45/56/39/532455639.db2.gz PEXDOZSBTMQYSL-OAHLLOKOSA-N 1 0 380.432 2.149 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000428637608 532456085 /nfs/dbraw/zinc/45/60/85/532456085.db2.gz NOFKNYGKOXDWDE-BBRMVZONSA-N 1 0 396.329 2.319 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)ncc1Br ZINC000295530716 532456204 /nfs/dbraw/zinc/45/62/04/532456204.db2.gz RHXYLAKEGQSCMQ-JTQLQIEISA-N 1 0 376.682 2.074 20 0 GEADRO O=S(=O)(CCOCC(F)(F)F)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000562005354 532456440 /nfs/dbraw/zinc/45/64/40/532456440.db2.gz PEXDOZSBTMQYSL-HNNXBMFYSA-N 1 0 380.432 2.149 20 0 GEADRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428626888 532456604 /nfs/dbraw/zinc/45/66/04/532456604.db2.gz XASYYAGTCAYTGT-AWEZNQCLSA-N 1 0 384.307 2.206 20 0 GEADRO O=C(CCc1cc(F)ccc1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295607513 532462170 /nfs/dbraw/zinc/46/21/70/532462170.db2.gz XOMSUCURHRWXLL-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO [NH3+]CCC1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000519173256 532457929 /nfs/dbraw/zinc/45/79/29/532457929.db2.gz WPBYXRUGJAKFCD-UHFFFAOYSA-N 1 0 382.302 2.156 20 0 GEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000683411393 532458623 /nfs/dbraw/zinc/45/86/23/532458623.db2.gz SMOKJVFKRQXXQJ-MRXNPFEDSA-N 1 0 396.310 2.272 20 0 GEADRO CC[C@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000519213880 532459773 /nfs/dbraw/zinc/45/97/73/532459773.db2.gz YBXOMXRIELWZBY-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000194813435 532459971 /nfs/dbraw/zinc/45/99/71/532459971.db2.gz ZXMYFPPAUHRIQT-UHFFFAOYSA-N 1 0 382.302 2.168 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000519364865 532461479 /nfs/dbraw/zinc/46/14/79/532461479.db2.gz HSPUVZXEJOGYDP-ZDUSSCGKSA-N 1 0 393.285 2.290 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)[NH3+])C1 ZINC000194879104 532461749 /nfs/dbraw/zinc/46/17/49/532461749.db2.gz OVUJBMJHGBJNKE-CHWSQXEVSA-N 1 0 382.302 2.073 20 0 GEADRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428794203 532461773 /nfs/dbraw/zinc/46/17/73/532461773.db2.gz REEGCPIAWJWHIM-AWEZNQCLSA-N 1 0 380.432 2.440 20 0 GEADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)[NH3+] ZINC000194870057 532461913 /nfs/dbraw/zinc/46/19/13/532461913.db2.gz QGISBSICZZRONF-ZANVPECISA-N 1 0 378.325 2.308 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000519430860 532463793 /nfs/dbraw/zinc/46/37/93/532463793.db2.gz HGGXXQDZZGEANK-AWEZNQCLSA-N 1 0 375.485 2.070 20 0 GEADRO C[NH+](C)CCN1CCC(Nc2ncnc3cc(Br)sc32)CC1 ZINC000651298025 532463939 /nfs/dbraw/zinc/46/39/39/532463939.db2.gz PUOMVZHWXJDANL-UHFFFAOYSA-N 1 0 384.347 2.892 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000519430861 532463967 /nfs/dbraw/zinc/46/39/67/532463967.db2.gz HGGXXQDZZGEANK-CQSZACIVSA-N 1 0 375.485 2.070 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(S(C)(=O)=O)s1)c1ccccc1 ZINC000468423031 532464534 /nfs/dbraw/zinc/46/45/34/532464534.db2.gz HSIPMGKZJLIWGG-OAHLLOKOSA-N 1 0 381.523 2.254 20 0 GEADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000628414724 532466198 /nfs/dbraw/zinc/46/61/98/532466198.db2.gz HUWKSFGQCHSEBA-HOTGVXAUSA-N 1 0 380.286 2.296 20 0 GEADRO CSC1(CNC(=O)NCc2cnn(CC(F)(F)F)c2)CC[NH+](C)CC1 ZINC000519524281 532466692 /nfs/dbraw/zinc/46/66/92/532466692.db2.gz SDKPNYCYSPLJDZ-UHFFFAOYSA-N 1 0 379.452 2.072 20 0 GEADRO CC[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000519537949 532467868 /nfs/dbraw/zinc/46/78/68/532467868.db2.gz ATONRWZZGZXKOJ-IHRRRGAJSA-N 1 0 398.345 2.376 20 0 GEADRO O=C(Nc1nc2ccsc2s1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000562601433 532473419 /nfs/dbraw/zinc/47/34/19/532473419.db2.gz YQJPBDDNYDEVLA-NSHDSACASA-N 1 0 379.511 2.176 20 0 GEADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@@H](C)C1 ZINC000429000743 532468445 /nfs/dbraw/zinc/46/84/45/532468445.db2.gz ACVZUNLKYBKWHI-IPYPFGDCSA-N 1 0 381.318 2.445 20 0 GEADRO COC(=O)CCCCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000373763763 532468523 /nfs/dbraw/zinc/46/85/23/532468523.db2.gz VOOSZHZJQITHGQ-WMLDXEAASA-N 1 0 388.555 2.394 20 0 GEADRO C[C@@H]([NH3+])CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000429051313 532469120 /nfs/dbraw/zinc/46/91/20/532469120.db2.gz WXIGEIZEYNLZEZ-RNCFNFMXSA-N 1 0 387.267 2.052 20 0 GEADRO CO[C@@]1(C(F)(F)F)CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000683950601 532469210 /nfs/dbraw/zinc/46/92/10/532469210.db2.gz SAWKMGMBXGIYDP-HNNXBMFYSA-N 1 0 380.432 2.480 20 0 GEADRO COc1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cn1 ZINC000562519626 532470423 /nfs/dbraw/zinc/47/04/23/532470423.db2.gz BMGPLPKUJNJWDC-UHFFFAOYSA-N 1 0 379.258 2.696 20 0 GEADRO Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000373790612 532470531 /nfs/dbraw/zinc/47/05/31/532470531.db2.gz OVNLNJMHKFNZKU-HNNXBMFYSA-N 1 0 382.917 2.264 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000429326667 532473836 /nfs/dbraw/zinc/47/38/36/532473836.db2.gz HMZUPBAAXWSZGO-SSDOTTSWSA-N 1 0 382.180 2.212 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(Br)cc1 ZINC000429171538 532470834 /nfs/dbraw/zinc/47/08/34/532470834.db2.gz NULSHJNTHRXEJY-IUIKQTSFSA-N 1 0 382.302 2.212 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000684176803 532470919 /nfs/dbraw/zinc/47/09/19/532470919.db2.gz XCSLFAYRWJCKLV-GOSISDBHSA-N 1 0 395.297 2.140 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)c1cc(Br)ccc1OC(F)F ZINC000519603085 532471463 /nfs/dbraw/zinc/47/14/63/532471463.db2.gz IBYRJCAEAIXDQC-UHFFFAOYSA-N 1 0 393.228 2.237 20 0 GEADRO O=c1cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)nc2ccc(Br)cn12 ZINC000562554706 532471895 /nfs/dbraw/zinc/47/18/95/532471895.db2.gz ZEVQDTRTMXIPKC-CRAIPNDOSA-N 1 0 392.297 2.344 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1ccccc1Br ZINC000519652358 532472282 /nfs/dbraw/zinc/47/22/82/532472282.db2.gz ICUUSBQTBOCWHY-OAHLLOKOSA-N 1 0 396.329 2.302 20 0 GEADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000519649587 532472839 /nfs/dbraw/zinc/47/28/39/532472839.db2.gz YSUXMCZVXDUTKR-UONOGXRCSA-N 1 0 381.929 2.322 20 0 GEADRO Cc1ccc(Br)cc1-c1nnc(NCCN2CC[NH+](C)CC2)s1 ZINC000468713140 532473094 /nfs/dbraw/zinc/47/30/94/532473094.db2.gz BFSLGOAMEIJVOB-UHFFFAOYSA-N 1 0 396.358 2.935 20 0 GEADRO COC(=O)CN1CCC([NH2+][C@@H](CCO)c2ccccc2Br)CC1 ZINC000468513835 532467420 /nfs/dbraw/zinc/46/74/20/532467420.db2.gz GKHTVQQANMCNKW-INIZCTEOSA-N 1 0 385.302 2.100 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)NCc2ccc(S(C)(=O)=O)s2)([NH+](C)C)C1 ZINC000468533438 532467432 /nfs/dbraw/zinc/46/74/32/532467432.db2.gz VIJGUYCCJNFLJT-GUYCJALGSA-N 1 0 387.571 2.461 20 0 GEADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@@H](C)C1 ZINC000429000746 532467655 /nfs/dbraw/zinc/46/76/55/532467655.db2.gz ACVZUNLKYBKWHI-NFAWXSAZSA-N 1 0 381.318 2.445 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000429428500 532476564 /nfs/dbraw/zinc/47/65/64/532476564.db2.gz RLVAZGWBDWZRMV-OAHLLOKOSA-N 1 0 390.347 2.249 20 0 GEADRO O=C(C[C@@H]1C[NH2+]CCO1)NCCOc1ccc2cc(Br)ccc2c1 ZINC000519762490 532477203 /nfs/dbraw/zinc/47/72/03/532477203.db2.gz KVXWNOIAKQIPIM-QGZVFWFLSA-N 1 0 393.281 2.476 20 0 GEADRO C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cn1 ZINC000282555048 532477643 /nfs/dbraw/zinc/47/76/43/532477643.db2.gz BTOXWBWYASGJGA-ZDUSSCGKSA-N 1 0 398.349 2.230 20 0 GEADRO COc1ccc([C@@H]([NH2+]CCN2C(=O)CNC2=O)C(C)C)c(Br)c1 ZINC000519787179 532478301 /nfs/dbraw/zinc/47/83/01/532478301.db2.gz BLXCMAKQDNNRLU-HNNXBMFYSA-N 1 0 384.274 2.296 20 0 GEADRO NC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccc(Br)cc1 ZINC000373900511 532479109 /nfs/dbraw/zinc/47/91/09/532479109.db2.gz ROKJRQOWLFUOKI-KBMXLJTQSA-N 1 0 394.313 2.356 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]CCc2c[nH]c3cccc(Br)c23)nn1 ZINC000296052237 532496793 /nfs/dbraw/zinc/49/67/93/532496793.db2.gz OSSUPIUKCLXBBA-UHFFFAOYSA-N 1 0 392.257 2.027 20 0 GEADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000373937594 532480185 /nfs/dbraw/zinc/48/01/85/532480185.db2.gz JRRPSJFDZBIIJO-LBPRGKRZSA-N 1 0 381.420 2.128 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000373977745 532481886 /nfs/dbraw/zinc/48/18/86/532481886.db2.gz OJNHWRABLSZJAB-MRXNPFEDSA-N 1 0 381.929 2.373 20 0 GEADRO CCCOc1ccc(Br)cc1CN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000562801083 532483206 /nfs/dbraw/zinc/48/32/06/532483206.db2.gz DDHJFPCHGCFRTR-HOCLYGCPSA-N 1 0 383.286 2.327 20 0 GEADRO Cc1c(C(=O)NCc2sccc2Br)nnn1C1CC[NH2+]CC1 ZINC000429907923 532483595 /nfs/dbraw/zinc/48/35/95/532483595.db2.gz ZNFSCXDOMPDCEZ-UHFFFAOYSA-N 1 0 384.303 2.265 20 0 GEADRO C[C@H](CC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000429919356 532483819 /nfs/dbraw/zinc/48/38/19/532483819.db2.gz FCKSCWNHBCHPMH-AXAPSJFSSA-N 1 0 382.302 2.118 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2C)CC1 ZINC000429934797 532484267 /nfs/dbraw/zinc/48/42/67/532484267.db2.gz WPKGZEDKMBSHAE-UHFFFAOYSA-N 1 0 386.265 2.389 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236799883 532496978 /nfs/dbraw/zinc/49/69/78/532496978.db2.gz OUGFFIREWMLPEZ-GFCCVEGCSA-N 1 0 382.302 2.436 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651672474 532485977 /nfs/dbraw/zinc/48/59/77/532485977.db2.gz AKZCHGGALDLWLX-CQSZACIVSA-N 1 0 397.313 2.278 20 0 GEADRO COCC[C@@]1(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC[NH2+]C1 ZINC000429993165 532486384 /nfs/dbraw/zinc/48/63/84/532486384.db2.gz PLOGSNFWNJZIRB-DYVFJYSZSA-N 1 0 385.302 2.349 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(Br)c1F ZINC000684907861 532487874 /nfs/dbraw/zinc/48/78/74/532487874.db2.gz RHTAOSTTZXYXTL-NSHDSACASA-N 1 0 377.279 2.351 20 0 GEADRO COC1CC[NH+](CCNC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000684974493 532488718 /nfs/dbraw/zinc/48/87/18/532488718.db2.gz XFKIUWZZQPCRHE-UHFFFAOYSA-N 1 0 382.302 2.103 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)CC1 ZINC000684972821 532488926 /nfs/dbraw/zinc/48/89/26/532488926.db2.gz SYOHMLIQXVANTB-APWZRJJASA-N 1 0 393.325 2.226 20 0 GEADRO CCOc1c(Br)cc(C[NH2+][C@H](C)C(=O)NCCF)cc1OC ZINC000282693759 532490159 /nfs/dbraw/zinc/49/01/59/532490159.db2.gz OJCILGMVEYRENP-SNVBAGLBSA-N 1 0 377.254 2.420 20 0 GEADRO CCC[C@@H]([NH3+])c1cn(CC(=O)Nc2cccc(I)c2)nn1 ZINC000229970281 532490952 /nfs/dbraw/zinc/49/09/52/532490952.db2.gz ZWFHPHVCDZVALA-GFCCVEGCSA-N 1 0 399.236 2.321 20 0 GEADRO O=C(COc1ccccc1Br)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000562965332 532491104 /nfs/dbraw/zinc/49/11/04/532491104.db2.gz LKDAEHXCBNPBSF-UHFFFAOYSA-N 1 0 396.329 2.161 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000685200560 532491455 /nfs/dbraw/zinc/49/14/55/532491455.db2.gz RMOGFSXBBZXPHF-UHFFFAOYSA-N 1 0 382.346 2.480 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000469099842 532491650 /nfs/dbraw/zinc/49/16/50/532491650.db2.gz WHSZXPAWYZTFTR-ZDUSSCGKSA-N 1 0 390.933 2.468 20 0 GEADRO CC1CC[NH+](CC(=O)NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000430149844 532491998 /nfs/dbraw/zinc/49/19/98/532491998.db2.gz RAZHCLREBJQJAJ-OAHLLOKOSA-N 1 0 383.330 2.448 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000236664096 532492549 /nfs/dbraw/zinc/49/25/49/532492549.db2.gz YQYRFELSKBWAIG-HZPDHXFCSA-N 1 0 394.313 2.312 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC2(C[NH3+])CCCC2)c1 ZINC000236679893 532493302 /nfs/dbraw/zinc/49/33/02/532493302.db2.gz RGWKJFUCXXJLCZ-UHFFFAOYSA-N 1 0 387.933 2.418 20 0 GEADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000236678354 532493441 /nfs/dbraw/zinc/49/34/41/532493441.db2.gz CDVCPLOIDGRJOC-KRWDZBQOSA-N 1 0 395.301 2.039 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000236676371 532493573 /nfs/dbraw/zinc/49/35/73/532493573.db2.gz MTUQNYOWDZZUBO-JTQLQIEISA-N 1 0 395.319 2.262 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000236712284 532494072 /nfs/dbraw/zinc/49/40/72/532494072.db2.gz KPSTVGIHHCEOPR-HNNXBMFYSA-N 1 0 393.285 2.401 20 0 GEADRO CC(C)OC[C@H](O)C[NH2+]CCOc1ccc(I)cc1 ZINC000563010455 532494370 /nfs/dbraw/zinc/49/43/70/532494370.db2.gz HKCGQFMGXJDDJE-CYBMUJFWSA-N 1 0 379.238 2.046 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236718679 532494687 /nfs/dbraw/zinc/49/46/87/532494687.db2.gz OVXSAVSVRSBIGP-ZDUSSCGKSA-N 1 0 380.286 2.236 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000296031343 532494677 /nfs/dbraw/zinc/49/46/77/532494677.db2.gz NGMLMRRUHIKURD-NILFDRSVSA-N 1 0 385.302 2.308 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236714466 532494877 /nfs/dbraw/zinc/49/48/77/532494877.db2.gz VWLAAJPNYFHBQU-DZGCQCFKSA-N 1 0 398.370 2.487 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000520583242 532495887 /nfs/dbraw/zinc/49/58/87/532495887.db2.gz MNAJTGFEHWPIQM-JGVFFNPUSA-N 1 0 398.237 2.453 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000236744348 532496459 /nfs/dbraw/zinc/49/64/59/532496459.db2.gz SDWLIFBGTVMGCK-CABCVRRESA-N 1 0 385.327 2.444 20 0 GEADRO O=C(NC[C@@H]1CCCN(C(=O)c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000236767263 532496597 /nfs/dbraw/zinc/49/65/97/532496597.db2.gz SXMIOMLZDVIDTP-BBRMVZONSA-N 1 0 394.313 2.170 20 0 GEADRO COc1ccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c(Br)c1 ZINC000373834841 532473696 /nfs/dbraw/zinc/47/36/96/532473696.db2.gz DRVABPJVVSYXSU-UHFFFAOYSA-N 1 0 389.315 2.363 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CC1=O ZINC000468754460 532474468 /nfs/dbraw/zinc/47/44/68/532474468.db2.gz ADEWELWATGQHFG-ZDUSSCGKSA-N 1 0 384.307 2.288 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000593204969 532474724 /nfs/dbraw/zinc/47/47/24/532474724.db2.gz SENINGOLUXMXIU-UHFFFAOYSA-N 1 0 382.555 2.083 20 0 GEADRO COC1(C[C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCC1 ZINC000429415660 532475333 /nfs/dbraw/zinc/47/53/33/532475333.db2.gz ITGHNNOOJGBOQQ-CQSZACIVSA-N 1 0 388.555 2.206 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000429439166 532476432 /nfs/dbraw/zinc/47/64/32/532476432.db2.gz BNEOFSOAQQUAEH-FZMZJTMJSA-N 1 0 390.347 2.419 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000430604065 532502090 /nfs/dbraw/zinc/50/20/90/532502090.db2.gz LSZJMMHAWSKATE-IUODEOHRSA-N 1 0 375.332 2.425 20 0 GEADRO CC[N@H+](CCO)CCNS(=O)(=O)c1c(C)sc2ccc(Cl)cc21 ZINC000469397319 532502172 /nfs/dbraw/zinc/50/21/72/532502172.db2.gz JDAGORASZYYVOE-UHFFFAOYSA-N 1 0 376.931 2.456 20 0 GEADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000431021861 532502598 /nfs/dbraw/zinc/50/25/98/532502598.db2.gz DVFSXZKNTVOITD-UHFFFAOYSA-N 1 0 395.269 2.492 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652092182 532502706 /nfs/dbraw/zinc/50/27/06/532502706.db2.gz FBPOSNBVQUYHHS-HUUCEWRRSA-N 1 0 397.313 2.278 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629786065 532502874 /nfs/dbraw/zinc/50/28/74/532502874.db2.gz JRNSINNXUXQZNE-GXSJLCMTSA-N 1 0 397.850 2.346 20 0 GEADRO [NH3+]CC1(CCNC(=O)c2cc(F)c(F)cc2I)CC1 ZINC000593914074 532502805 /nfs/dbraw/zinc/50/28/05/532502805.db2.gz GVZXXAYSXTZWQF-UHFFFAOYSA-N 1 0 380.176 2.428 20 0 GEADRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c(=O)n1C ZINC000469475945 532502911 /nfs/dbraw/zinc/50/29/11/532502911.db2.gz HBVOSYCBASXEMH-AWEZNQCLSA-N 1 0 396.329 2.451 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000469465509 532503203 /nfs/dbraw/zinc/50/32/03/532503203.db2.gz WKTFRSOTPBBOFL-SCDSUCTJSA-N 1 0 380.286 2.474 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCC1(C[NH3+])CC1 ZINC000593915398 532503437 /nfs/dbraw/zinc/50/34/37/532503437.db2.gz WXHADYBXHHXAJD-OAHLLOKOSA-N 1 0 383.945 2.437 20 0 GEADRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@H](O)C(F)(F)F ZINC000521044407 532503669 /nfs/dbraw/zinc/50/36/69/532503669.db2.gz YQMLSLBCRWNNKA-DRZSPHRISA-N 1 0 386.208 2.480 20 0 GEADRO OCCOC1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCOCC1 ZINC000282898213 532503948 /nfs/dbraw/zinc/50/39/48/532503948.db2.gz WODQZRGUMLAUHI-QGZVFWFLSA-N 1 0 384.314 2.454 20 0 GEADRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c2cc(Br)ccc2n1 ZINC000629913287 532503999 /nfs/dbraw/zinc/50/39/99/532503999.db2.gz XGBNZRVNVHMIFJ-ZDUSSCGKSA-N 1 0 378.270 2.102 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC(C)(C)CCC[NH3+])c1 ZINC000431040704 532504169 /nfs/dbraw/zinc/50/41/69/532504169.db2.gz OGJANVXVBIFXPC-UHFFFAOYSA-N 1 0 378.336 2.311 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCC(=O)NC23CCC3)ccc1Br ZINC000282888518 532504433 /nfs/dbraw/zinc/50/44/33/532504433.db2.gz VZKJYFDEVQGQGT-CQSZACIVSA-N 1 0 380.286 2.487 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1C(F)(F)F ZINC000431027286 532504788 /nfs/dbraw/zinc/50/47/88/532504788.db2.gz VLBDNBBMGWPJPA-UHFFFAOYSA-N 1 0 382.404 2.288 20 0 GEADRO O=C(CN1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1I ZINC000431042886 532504812 /nfs/dbraw/zinc/50/48/12/532504812.db2.gz MFONIGWIHKJDSR-UHFFFAOYSA-N 1 0 399.276 2.305 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)s1)c1ccccc1 ZINC000521079824 532505021 /nfs/dbraw/zinc/50/50/21/532505021.db2.gz VJTZBHSGWJOYMI-AWEZNQCLSA-N 1 0 381.523 2.208 20 0 GEADRO C[NH2+]C1(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCC1 ZINC000629999540 532505454 /nfs/dbraw/zinc/50/54/54/532505454.db2.gz NNXFDTZHAWHSHK-LBPRGKRZSA-N 1 0 380.286 2.060 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237292428 532505652 /nfs/dbraw/zinc/50/56/52/532505652.db2.gz FDYWFQLFETYOJG-XJKSGUPXSA-N 1 0 383.945 2.450 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000237236558 532506373 /nfs/dbraw/zinc/50/63/73/532506373.db2.gz CHDPGLJKLKVCDC-KBPBESRZSA-N 1 0 394.313 2.260 20 0 GEADRO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1Br ZINC000469578777 532506462 /nfs/dbraw/zinc/50/64/62/532506462.db2.gz OSQFEIQDKZQKSD-UHFFFAOYSA-N 1 0 380.286 2.464 20 0 GEADRO CN(C(=O)CSc1nnc(-c2cccs2)n1C)[C@@H]1C[NH+]2CCC1CC2 ZINC000521156886 532506525 /nfs/dbraw/zinc/50/65/25/532506525.db2.gz FJFMQIXNPUHUOJ-CYBMUJFWSA-N 1 0 377.539 2.188 20 0 GEADRO COCC[NH2+]CCNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000237338632 532506937 /nfs/dbraw/zinc/50/69/37/532506937.db2.gz CXNWYXZEVQFPBZ-UHFFFAOYSA-N 1 0 395.301 2.217 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469612526 532506998 /nfs/dbraw/zinc/50/69/98/532506998.db2.gz ARUIJYKVVKCFQZ-HQQWDMGQSA-N 1 0 392.297 2.474 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1F ZINC000594461192 532507820 /nfs/dbraw/zinc/50/78/20/532507820.db2.gz XTBFMLLRGBTRAA-NSHDSACASA-N 1 0 392.880 2.418 20 0 GEADRO COC[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000563626049 532507943 /nfs/dbraw/zinc/50/79/43/532507943.db2.gz NZFSMXIEUXKBEN-KSSFIOAISA-N 1 0 396.329 2.018 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3ccc4ncsc4c3)C2)C1 ZINC000652373871 532508023 /nfs/dbraw/zinc/50/80/23/532508023.db2.gz CMODYDYTPGTYPF-ZENOOKHLSA-N 1 0 381.523 2.203 20 0 GEADRO O=C(/C=C/c1ccc(I)o1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374512024 532508358 /nfs/dbraw/zinc/50/83/58/532508358.db2.gz AHDPGDOLBWYUNN-DUXPYHPUSA-N 1 0 386.233 2.500 20 0 GEADRO C[C@H](CC(=O)NC[C@@H](O)COc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000237648477 532510064 /nfs/dbraw/zinc/51/00/64/532510064.db2.gz BLLHHCZCEMYDDA-RBSFLKMASA-N 1 0 399.329 2.331 20 0 GEADRO Cc1nc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)sc1S(N)(=O)=O ZINC000374532052 532510297 /nfs/dbraw/zinc/51/02/97/532510297.db2.gz UECNWFGXTVUZAQ-ZDUSSCGKSA-N 1 0 380.539 2.200 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(F)c(F)cc1I ZINC000237710937 532510629 /nfs/dbraw/zinc/51/06/29/532510629.db2.gz SDQIDJABVPSGKH-MRVPVSSYSA-N 1 0 380.176 2.299 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000652385183 532511157 /nfs/dbraw/zinc/51/11/57/532511157.db2.gz KRKTXJZWXHMGNJ-UHFFFAOYSA-N 1 0 395.294 2.265 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594483662 532511401 /nfs/dbraw/zinc/51/14/01/532511401.db2.gz NOINMCILBFJJST-KGLIPLIRSA-N 1 0 386.901 2.422 20 0 GEADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282991097 532511591 /nfs/dbraw/zinc/51/15/91/532511591.db2.gz OAGLGFYAQCGEDN-GFCCVEGCSA-N 1 0 399.925 2.053 20 0 GEADRO C[C@@H]1[C@H](NC(=O)COc2cccc(I)c2)CCC[N@@H+]1C ZINC000469762214 532511676 /nfs/dbraw/zinc/51/16/76/532511676.db2.gz FCSJSLSJRATTKT-BXUZGUMPSA-N 1 0 388.249 2.269 20 0 GEADRO O=C(NC[C@@H]1CCCN(C(=O)c2nc(Cl)ccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000237713850 532511850 /nfs/dbraw/zinc/51/18/50/532511850.db2.gz XQPFYQWHJUSARN-WCQYABFASA-N 1 0 385.295 2.109 20 0 GEADRO CCOC(=O)c1csc([C@@H]2CCCN2C(=O)N[C@@H](C[NH3+])C(F)(F)F)n1 ZINC000594525257 532512027 /nfs/dbraw/zinc/51/20/27/532512027.db2.gz PWUHSVLOTNPMSH-UWVGGRQHSA-N 1 0 380.392 2.056 20 0 GEADRO CCOC(=O)c1csc([C@@H]2CCCN2C(=O)N[C@H](C[NH3+])C(F)(F)F)n1 ZINC000594525366 532512127 /nfs/dbraw/zinc/51/21/27/532512127.db2.gz PWUHSVLOTNPMSH-VHSXEESVSA-N 1 0 380.392 2.056 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C1 ZINC000237961548 532512702 /nfs/dbraw/zinc/51/27/02/532512702.db2.gz NRTPJVXLXBTHQI-JTQLQIEISA-N 1 0 398.941 2.452 20 0 GEADRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(F)cc1I)C2 ZINC000594515302 532512759 /nfs/dbraw/zinc/51/27/59/532512759.db2.gz MVSWYVWHOFFFKQ-LLVKDONJSA-N 1 0 386.212 2.206 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)CSc1nnnn1C1CC1)c1ccc(Cl)cc1 ZINC000283006143 532513416 /nfs/dbraw/zinc/51/34/16/532513416.db2.gz ROSQBYVMILPREC-CQSZACIVSA-N 1 0 380.905 2.173 20 0 GEADRO CO[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@](C)(C[NH3+])C1 ZINC000630362655 532513723 /nfs/dbraw/zinc/51/37/23/532513723.db2.gz BJFANMUEVPWIIH-HZMBPMFUSA-N 1 0 384.832 2.068 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000594531676 532513845 /nfs/dbraw/zinc/51/38/45/532513845.db2.gz VSIARQWLRJZSOI-VHSXEESVSA-N 1 0 378.853 2.014 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000469840190 532513964 /nfs/dbraw/zinc/51/39/64/532513964.db2.gz WQPUDLKQJMKTTC-ZDUSSCGKSA-N 1 0 384.311 2.463 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000521502044 532514277 /nfs/dbraw/zinc/51/42/77/532514277.db2.gz CSQLVPXJMIBZQD-LBPRGKRZSA-N 1 0 388.295 2.076 20 0 GEADRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000237967886 532514609 /nfs/dbraw/zinc/51/46/09/532514609.db2.gz WDJXLDOECWDCJA-AWEZNQCLSA-N 1 0 385.917 2.078 20 0 GEADRO O=C(CSCc1cc(-c2cccs2)on1)NCCCN1CC[NH2+]CC1 ZINC000238026026 532514736 /nfs/dbraw/zinc/51/47/36/532514736.db2.gz WDWAKKIYYXJDGQ-UHFFFAOYSA-N 1 0 380.539 2.048 20 0 GEADRO [NH3+]CCCCCCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000237975885 532514828 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GEADRO CSc1ccc([C@@H](CNC(=O)[C@@]23CCC(=O)N2CCS3)[NH+](C)C)cc1 ZINC000564093945 532516698 /nfs/dbraw/zinc/51/66/98/532516698.db2.gz LLOJTUKNBWFDDQ-QAPCUYQASA-N 1 0 379.551 2.193 20 0 GEADRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)c2ccc(Br)cc2n1 ZINC000521623817 532516798 /nfs/dbraw/zinc/51/67/98/532516798.db2.gz WKNTYKCIUUIVAQ-ZDUSSCGKSA-N 1 0 378.270 2.414 20 0 GEADRO COC(=O)CCN1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OC)C1=O ZINC000594660703 532517019 /nfs/dbraw/zinc/51/70/19/532517019.db2.gz OMLIUZLJVJZANB-RISCZKNCSA-N 1 0 399.285 2.272 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563128718 532497806 /nfs/dbraw/zinc/49/78/06/532497806.db2.gz JFNPIUSJJLGPJV-CYBMUJFWSA-N 1 0 386.901 2.137 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC000685847945 532500040 /nfs/dbraw/zinc/50/00/40/532500040.db2.gz WCTIQJTXVYVLIR-HNNXBMFYSA-N 1 0 377.913 2.272 20 0 GEADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000563338669 532500705 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C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(Br)s2)C[C@@H]1C ZINC000245903391 532526321 /nfs/dbraw/zinc/52/63/21/532526321.db2.gz STIILVFYELKOJX-RYUDHWBXSA-N 1 0 390.347 2.150 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000296533922 532526376 /nfs/dbraw/zinc/52/63/76/532526376.db2.gz QOZTVBQZWHMEEN-ZIAGYGMSSA-N 1 0 394.718 2.229 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(=O)[nH]c2)cc1Br ZINC000631153447 532545685 /nfs/dbraw/zinc/54/56/85/532545685.db2.gz WUQUOPJMDKVFGJ-CQSZACIVSA-N 1 0 381.270 2.499 20 0 GEADRO CC[C@H]1CN(CCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)CCO1 ZINC000470431073 532527531 /nfs/dbraw/zinc/52/75/31/532527531.db2.gz VNPZCZVROWOFJR-HIFRSBDPSA-N 1 0 385.302 2.443 20 0 GEADRO C[NH+](C)[C@@]1(C(=O)NC[C@@H](O)c2cccc(Br)c2)CCCSC1 ZINC000375009325 532527951 /nfs/dbraw/zinc/52/79/51/532527951.db2.gz CVVHFCJXUZAZBS-ZBFHGGJFSA-N 1 0 387.343 2.426 20 0 GEADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Br)o1 ZINC000245933767 532528111 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CC[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000284692034 532610029 /nfs/dbraw/zinc/61/00/29/532610029.db2.gz ORGXGQKDWIUKMJ-CYBMUJFWSA-N 1 0 387.933 2.197 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000656264672 532610097 /nfs/dbraw/zinc/61/00/97/532610097.db2.gz PIGYJDXLJAXFBJ-MRXNPFEDSA-N 1 0 391.313 2.194 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000297862675 532610329 /nfs/dbraw/zinc/61/03/29/532610329.db2.gz NFJOCTGCPFEWFX-AWEZNQCLSA-N 1 0 396.329 2.208 20 0 GEADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435245551 532611763 /nfs/dbraw/zinc/61/17/63/532611763.db2.gz CHBBFGGHZYCKMT-UONOGXRCSA-N 1 0 392.297 2.155 20 0 GEADRO CN1CCN(Cc2csc(CS(C)(=O)=O)n2)C[C@@H]1Cc1ccccc1 ZINC000284701490 532611876 /nfs/dbraw/zinc/61/18/76/532611876.db2.gz IBJNZCGLJSOUNX-KRWDZBQOSA-N 1 0 379.551 2.046 20 0 GEADRO O[C@@H]1C[C@H]2CN(Cc3nc(-c4ccc(Br)cc4)c[nH]3)CC[N@@H+]2C1 ZINC000656273610 532611829 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GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000436047815 532624514 /nfs/dbraw/zinc/62/45/14/532624514.db2.gz FMIAUCUOCMSEKD-ZDUSSCGKSA-N 1 0 387.311 2.251 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000474668047 532624558 /nfs/dbraw/zinc/62/45/58/532624558.db2.gz AFCOAGBNRFTIIJ-AWEZNQCLSA-N 1 0 385.306 2.007 20 0 GEADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376687688 532624697 /nfs/dbraw/zinc/62/46/97/532624697.db2.gz IGXAQIBAEZMDED-DOMZBBRYSA-N 1 0 375.270 2.459 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000566699036 532625352 /nfs/dbraw/zinc/62/53/52/532625352.db2.gz YAZHJZHIRAFCLY-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000566733584 532625848 /nfs/dbraw/zinc/62/58/48/532625848.db2.gz FEOLQRVGGZLRTN-LBPRGKRZSA-N 1 0 393.336 2.101 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000632558289 532625966 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COCC[N@H+](C)C[C@H](O)CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000566893620 532629854 /nfs/dbraw/zinc/62/98/54/532629854.db2.gz FWJSTNVNVLTSHF-SJCJKPOMSA-N 1 0 395.302 2.445 20 0 GEADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000376795418 532630267 /nfs/dbraw/zinc/63/02/67/532630267.db2.gz DKWSRGSXJHXPCM-KCQAQPDRSA-N 1 0 378.416 2.149 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)CCSC1 ZINC000436205090 532630617 /nfs/dbraw/zinc/63/06/17/532630617.db2.gz CWXVMYYECCYMSD-QEJZJMRPSA-N 1 0 383.480 2.207 20 0 GEADRO CN(C)[C@H](CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000284913673 532631184 /nfs/dbraw/zinc/63/11/84/532631184.db2.gz MUBXPYCXYGXTSR-JKSUJKDBSA-N 1 0 378.519 2.428 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@]1(O)CCOC1 ZINC000474876870 532631933 /nfs/dbraw/zinc/63/19/33/532631933.db2.gz GPGFBQAJYVLQDQ-SWLSCSKDSA-N 1 0 375.250 2.353 20 0 GEADRO CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000566969169 532632222 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CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)C1 ZINC000660028544 532672193 /nfs/dbraw/zinc/67/21/93/532672193.db2.gz WKYYXZPGBGXJHS-GFCCVEGCSA-N 1 0 389.905 2.070 20 0 GEADRO COC(=O)C1CCN(C(=O)C[N@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000264415214 532672294 /nfs/dbraw/zinc/67/22/94/532672294.db2.gz KQCUTBCIXDVRTE-UHFFFAOYSA-N 1 0 397.313 2.335 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000264436608 532672868 /nfs/dbraw/zinc/67/28/68/532672868.db2.gz PMMWGVHBKTUDKF-CQSZACIVSA-N 1 0 387.571 2.239 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(I)c(O)c2)C1 ZINC000600315501 532673119 /nfs/dbraw/zinc/67/31/19/532673119.db2.gz UIXIJLGDASKGEQ-LLVKDONJSA-N 1 0 388.249 2.459 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000482527162 532673292 /nfs/dbraw/zinc/67/32/92/532673292.db2.gz KNSZYFNWFHFWGA-QMMMGPOBSA-N 1 0 375.438 2.146 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000568233923 532673471 /nfs/dbraw/zinc/67/34/71/532673471.db2.gz RQMXYMHJSPILEG-CVEARBPZSA-N 1 0 397.317 2.023 20 0 GEADRO CN(Cc1cccc(Cl)c1Cl)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264457411 532674908 /nfs/dbraw/zinc/67/49/08/532674908.db2.gz HWVLRQCJXXDRSO-AWEZNQCLSA-N 1 0 387.311 2.475 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264450635 532675425 /nfs/dbraw/zinc/67/54/25/532675425.db2.gz GQMUFRMBANOBIN-OAHLLOKOSA-N 1 0 380.286 2.474 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000483275132 532675469 /nfs/dbraw/zinc/67/54/69/532675469.db2.gz CETUOWMVUYYMFI-RYUDHWBXSA-N 1 0 388.281 2.185 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000285376268 532676049 /nfs/dbraw/zinc/67/60/49/532676049.db2.gz GJORAHVCRCMZBF-UHFFFAOYSA-N 1 0 386.495 2.270 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1Br ZINC000484328135 532677512 /nfs/dbraw/zinc/67/75/12/532677512.db2.gz OYQIFQPYDFOYPD-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000484340718 532677546 /nfs/dbraw/zinc/67/75/46/532677546.db2.gz WTNXXMQJDLGRHK-RYUDHWBXSA-N 1 0 388.281 2.185 20 0 GEADRO Cc1c(Br)ccnc1NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000568489319 532678597 /nfs/dbraw/zinc/67/85/97/532678597.db2.gz XDHJSINGHGAOEZ-UHFFFAOYSA-N 1 0 386.338 2.500 20 0 GEADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000378063353 532679022 /nfs/dbraw/zinc/67/90/22/532679022.db2.gz WMPCWOLQLJGBPC-VIFPVBQESA-N 1 0 384.370 2.392 20 0 GEADRO OCCOCCN(Cc1nnc(-c2ccc(Br)o2)o1)C1CCC1 ZINC000661102974 532679216 /nfs/dbraw/zinc/67/92/16/532679216.db2.gz MEKHADXQDHKQHF-UHFFFAOYSA-N 1 0 386.246 2.456 20 0 GEADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000638080715 532679406 /nfs/dbraw/zinc/67/94/06/532679406.db2.gz DGWDKWVINZJSME-RPVQJOFSSA-N 1 0 396.329 2.159 20 0 GEADRO CNS(=O)(=O)CC[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000438922205 532679739 /nfs/dbraw/zinc/67/97/39/532679739.db2.gz ZXLHZOKRCOABFZ-UHFFFAOYSA-N 1 0 384.933 2.462 20 0 GEADRO O[C@H](CNCc1ccc(I)c(Cl)c1)C[NH+]1CCCC1 ZINC000600734602 532680402 /nfs/dbraw/zinc/68/04/02/532680402.db2.gz HXBADENUNLMZOA-GFCCVEGCSA-N 1 0 394.684 2.491 20 0 GEADRO COc1cc(NC(=O)CC[N@H+](C)[C@H](C)C[S@](C)=O)c(OC)cc1Cl ZINC000298872311 532681445 /nfs/dbraw/zinc/68/14/45/532681445.db2.gz JOPXSHYUQSEBBH-JNDILOIQSA-N 1 0 376.906 2.385 20 0 GEADRO Cc1c(C(=O)N[C@@H](C)CC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000264895684 532681533 /nfs/dbraw/zinc/68/15/33/532681533.db2.gz KOCKUTJCZZCGCW-NSHDSACASA-N 1 0 380.290 2.408 20 0 GEADRO CS[C@@H]1CN(C(=O)CSCC(=O)Nc2ccc(C)cc2)C[C@@H]1[NH+](C)C ZINC000535543038 532682448 /nfs/dbraw/zinc/68/24/48/532682448.db2.gz NZTDXMDFQXDXNM-JKSUJKDBSA-N 1 0 381.567 2.171 20 0 GEADRO C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@H]3CSCCS3)CC2)C[C@@H](C)O1 ZINC000378130516 532682558 /nfs/dbraw/zinc/68/25/58/532682558.db2.gz YMXOHRKZNOTBFI-INMHGKMJSA-N 1 0 387.615 2.366 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)NCC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000661954171 532683174 /nfs/dbraw/zinc/68/31/74/532683174.db2.gz VBEIASMSHSLWPP-CQSZACIVSA-N 1 0 397.317 2.480 20 0 GEADRO CN(C)C(=O)C1([NH2+]Cc2cnn3cc(Br)cnc23)CCCCC1 ZINC000639229295 532691525 /nfs/dbraw/zinc/69/15/25/532691525.db2.gz ZHIQBDIFUIBEFX-UHFFFAOYSA-N 1 0 380.290 2.373 20 0 GEADRO CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000265279146 532691801 /nfs/dbraw/zinc/69/18/01/532691801.db2.gz WQMATOKRLMBWIF-SJORKVTESA-N 1 0 390.318 2.217 20 0 GEADRO [NH3+][C@H](CNC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)C1CC1 ZINC000569204215 532692298 /nfs/dbraw/zinc/69/22/98/532692298.db2.gz DOMUMXIYFOVESF-GFCCVEGCSA-N 1 0 378.523 2.168 20 0 GEADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000378391751 532692863 /nfs/dbraw/zinc/69/28/63/532692863.db2.gz XUBVTYLRVMZGGM-BBWFWOEESA-N 1 0 387.307 2.475 20 0 GEADRO CC[N@H+](CCC(=O)OC)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439449168 532694251 /nfs/dbraw/zinc/69/42/51/532694251.db2.gz IGKRIGCZAUQCSG-ZDUSSCGKSA-N 1 0 378.238 2.213 20 0 GEADRO CC(C)CC(CC(C)C)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000378406728 532694499 /nfs/dbraw/zinc/69/44/99/532694499.db2.gz VYNHVHGYOWLDSP-UHFFFAOYSA-N 1 0 375.579 2.078 20 0 GEADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000536587497 532695037 /nfs/dbraw/zinc/69/50/37/532695037.db2.gz VOFJKRINWLGORF-GFCCVEGCSA-N 1 0 390.347 2.135 20 0 GEADRO C[C@H](CNC(=O)COc1cccc(I)c1)[NH+]1CCCC1 ZINC000569304477 532695135 /nfs/dbraw/zinc/69/51/35/532695135.db2.gz IYVOYBUTBDHYHL-GFCCVEGCSA-N 1 0 388.249 2.271 20 0 GEADRO CCC1([NH+]2CCCC2)CCN(C(=O)Nc2csc(S(N)(=O)=O)c2)CC1 ZINC000640748612 532695842 /nfs/dbraw/zinc/69/58/42/532695842.db2.gz WEKRHNWVMXFDRQ-UHFFFAOYSA-N 1 0 386.543 2.268 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000265430943 532696294 /nfs/dbraw/zinc/69/62/94/532696294.db2.gz GAFRVGIVBIPTHW-UHFFFAOYSA-N 1 0 380.330 2.361 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](CS(C)(=O)=O)C1)CC(C)C ZINC000569524073 532697516 /nfs/dbraw/zinc/69/75/16/532697516.db2.gz IADADDTVPBGMJC-IRXDYDNUSA-N 1 0 375.579 2.209 20 0 GEADRO O=C(Cn1cc(CN2CCC[C@@H]2CO)nn1)Nc1cccc(Cl)c1Cl ZINC000640762938 532697553 /nfs/dbraw/zinc/69/75/53/532697553.db2.gz AQKFTORTFPQSDL-GFCCVEGCSA-N 1 0 384.267 2.180 20 0 GEADRO CN(C(=O)C(=O)N1CCc2ccc(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439593128 532698294 /nfs/dbraw/zinc/69/82/94/532698294.db2.gz IPOJAAMDZQCJLM-HNNXBMFYSA-N 1 0 392.297 2.033 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000439615209 532698926 /nfs/dbraw/zinc/69/89/26/532698926.db2.gz FESBNFCJSAPHRJ-CYBMUJFWSA-N 1 0 380.645 2.430 20 0 GEADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537122333 532703173 /nfs/dbraw/zinc/70/31/73/532703173.db2.gz OQRYIXAAWLRWQU-UHFFFAOYSA-N 1 0 383.286 2.137 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000439599946 532699939 /nfs/dbraw/zinc/69/99/39/532699939.db2.gz WBZADBJKWJZXSL-ZDUSSCGKSA-N 1 0 380.286 2.391 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nc2ncc(Br)cn2n1 ZINC000299167564 532699996 /nfs/dbraw/zinc/69/99/96/532699996.db2.gz ZFSCKXPGQMBKNT-LLVKDONJSA-N 1 0 383.294 2.127 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000604389199 532700406 /nfs/dbraw/zinc/70/04/06/532700406.db2.gz VLIGPQWYZDMLHU-HNNXBMFYSA-N 1 0 396.329 2.390 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000604408292 532700657 /nfs/dbraw/zinc/70/06/57/532700657.db2.gz IRNKHZVUEMSIOY-CYBMUJFWSA-N 1 0 392.352 2.394 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cc(Cl)c(N)c(Cl)c3)C2)C1 ZINC000299196630 532701455 /nfs/dbraw/zinc/70/14/55/532701455.db2.gz DWKYIXZJQPMZLF-QGZVFWFLSA-N 1 0 385.295 2.458 20 0 GEADRO Brc1cnc(C[NH2+]CCCn2cncn2)c(Br)c1 ZINC000381641361 532701627 /nfs/dbraw/zinc/70/16/27/532701627.db2.gz LZNJHZLTZCUGTC-UHFFFAOYSA-N 1 0 375.068 2.378 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606531102 532701772 /nfs/dbraw/zinc/70/17/72/532701772.db2.gz ZYVBXFDVXYLVTN-UHFFFAOYSA-N 1 0 387.237 2.362 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000666693200 532701839 /nfs/dbraw/zinc/70/18/39/532701839.db2.gz KVKSEBNPPLKHEY-UHFFFAOYSA-N 1 0 385.306 2.390 20 0 GEADRO CC[C@@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CCN1CC(F)F ZINC000569655903 532702281 /nfs/dbraw/zinc/70/22/81/532702281.db2.gz GQUWAVWVVJBHOT-CQSZACIVSA-N 1 0 378.533 2.185 20 0 GEADRO Ic1cnc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000381077791 532702346 /nfs/dbraw/zinc/70/23/46/532702346.db2.gz RSMPURAKPZYFRF-CQSZACIVSA-N 1 0 394.260 3.015 20 0 GEADRO COC(C[N@H+](CCCO)CCC(=O)Nc1ccccc1Br)OC ZINC000298961190 532687115 /nfs/dbraw/zinc/68/71/15/532687115.db2.gz OUYHVRFDZMRBLS-UHFFFAOYSA-N 1 0 389.290 2.081 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H]2CCN(c3ccccc3)C2)s1 ZINC000638782985 532687134 /nfs/dbraw/zinc/68/71/34/532687134.db2.gz FIADIFMTGAGUEL-MRXNPFEDSA-N 1 0 379.551 2.451 20 0 GEADRO CN(CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1)S(=O)(=O)c1cccs1 ZINC000638788301 532687265 /nfs/dbraw/zinc/68/72/65/532687265.db2.gz LWLUAZRZIVCJJX-INIZCTEOSA-N 1 0 379.551 2.485 20 0 GEADRO COC(=O)CC1([NH2+]Cc2cc(Br)cs2)CCS(=O)(=O)CC1 ZINC000439282284 532687491 /nfs/dbraw/zinc/68/74/91/532687491.db2.gz ZHHAXVKCONVGSK-UHFFFAOYSA-N 1 0 396.328 2.111 20 0 GEADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cn2cc(Br)cn2)CC1 ZINC000298967078 532687781 /nfs/dbraw/zinc/68/77/81/532687781.db2.gz HOCIIMDIPHEYCC-UHFFFAOYSA-N 1 0 381.274 2.362 20 0 GEADRO Cn1cc([C@H]2CSCCN2C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cn1 ZINC000568999475 532687919 /nfs/dbraw/zinc/68/79/19/532687919.db2.gz ABYZFIPPARSBQL-IAGOWNOFSA-N 1 0 380.583 2.254 20 0 GEADRO O=S(=O)(NC1CC[NH+](CCc2ccncc2)CC1)c1cncc(Cl)c1 ZINC000378290142 532688972 /nfs/dbraw/zinc/68/89/72/532688972.db2.gz YKRQOSMKEZUWDR-UHFFFAOYSA-N 1 0 380.901 2.115 20 0 GEADRO OCC1([NH2+]CC2CC2)CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000663990548 532689362 /nfs/dbraw/zinc/68/93/62/532689362.db2.gz WBQKARZEGWTIGI-UHFFFAOYSA-N 1 0 381.318 2.447 20 0 GEADRO Cc1ncc(S(=O)(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000378286902 532689468 /nfs/dbraw/zinc/68/94/68/532689468.db2.gz UIEHNIHYTMEMCS-ZIAGYGMSSA-N 1 0 387.571 2.352 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000569174469 532690665 /nfs/dbraw/zinc/69/06/65/532690665.db2.gz XAXJVFYWWQWYRG-UHFFFAOYSA-N 1 0 382.452 2.210 20 0 GEADRO C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ncc(Br)cn1 ZINC000486610473 532691085 /nfs/dbraw/zinc/69/10/85/532691085.db2.gz XKERCTMFLRCLOI-LLVKDONJSA-N 1 0 394.273 2.066 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cncc(Br)c2)[C@@H](C)C1 ZINC000266125563 532703381 /nfs/dbraw/zinc/70/33/81/532703381.db2.gz ADEVPGLWZMTFIA-SMDDNHRTSA-N 1 0 376.320 2.195 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000641973514 532703498 /nfs/dbraw/zinc/70/34/98/532703498.db2.gz GRKQJVLJTURSRO-NWDGAFQWSA-N 1 0 378.416 2.447 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000569686864 532703678 /nfs/dbraw/zinc/70/36/78/532703678.db2.gz MDYIJGIRTXKQOQ-MRXNPFEDSA-N 1 0 386.334 2.257 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(F)c1Br ZINC000299252804 532704480 /nfs/dbraw/zinc/70/44/80/532704480.db2.gz JVUPRHXCNYGWFY-QGZVFWFLSA-N 1 0 398.276 2.389 20 0 GEADRO CS[C@@H]1CN(C[C@H](O)COc2ccc(Br)cc2)C[C@H]1[NH+](C)C ZINC000537275569 532704716 /nfs/dbraw/zinc/70/47/16/532704716.db2.gz ZSUDCYCZSHBBOB-NUEKZKHPSA-N 1 0 389.359 2.166 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc(Br)ccc2=O)C[C@@H]1C ZINC000607121518 532704916 /nfs/dbraw/zinc/70/49/16/532704916.db2.gz LQWOYCQIFFFXOE-ZFWWWQNUSA-N 1 0 384.318 2.332 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000666911928 532705872 /nfs/dbraw/zinc/70/58/72/532705872.db2.gz FDJUVCXPKZNSIU-MAZHCROVSA-N 1 0 382.302 2.380 20 0 GEADRO COc1cc(Br)c(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000666919626 532706160 /nfs/dbraw/zinc/70/61/60/532706160.db2.gz VOPKJAFMTIDASE-XPTSAGLGSA-N 1 0 388.262 2.046 20 0 GEADRO C[C@H](CNC(=O)CSCC(=O)Nc1cccc(Br)c1)[NH+](C)C ZINC000299280677 532706139 /nfs/dbraw/zinc/70/61/39/532706139.db2.gz ZFMVRBSAUPMTEX-LLVKDONJSA-N 1 0 388.331 2.187 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000666924070 532706998 /nfs/dbraw/zinc/70/69/98/532706998.db2.gz XTEIDTIHXFVVKI-GFCCVEGCSA-N 1 0 390.347 2.499 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)cc3c2OCCO3)cn1 ZINC000667772629 532707329 /nfs/dbraw/zinc/70/73/29/532707329.db2.gz NRXCQIUEYJTISE-UHFFFAOYSA-N 1 0 395.257 2.231 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)cn1 ZINC000667772367 532708099 /nfs/dbraw/zinc/70/80/99/532708099.db2.gz DEFKRDTXFGCOIQ-UHFFFAOYSA-N 1 0 393.245 2.041 20 0 GEADRO CS[C@H]1CN(CCc2c(C)nc3sccn3c2=O)C[C@H]1[NH+]1CCCC1 ZINC000285782956 532708271 /nfs/dbraw/zinc/70/82/71/532708271.db2.gz XKXDDSJPWFHUDS-CVEARBPZSA-N 1 0 378.567 2.119 20 0 GEADRO CS[C@H]1CN(CCc2c(C)nc3sccn3c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000285782966 532708348 /nfs/dbraw/zinc/70/83/48/532708348.db2.gz XKXDDSJPWFHUDS-HOTGVXAUSA-N 1 0 378.567 2.119 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H]1C ZINC000266218282 532708672 /nfs/dbraw/zinc/70/86/72/532708672.db2.gz LBXCEXHVWPHWJE-VXGBXAGGSA-N 1 0 385.295 2.097 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC[N@@H+](C2CC2)C1 ZINC000299305321 532709181 /nfs/dbraw/zinc/70/91/81/532709181.db2.gz NCGDFLXZIWRKKH-JTQLQIEISA-N 1 0 385.295 2.457 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000440351065 532709985 /nfs/dbraw/zinc/70/99/85/532709985.db2.gz BTPQNKNVCMMOKH-NEPJUHHUSA-N 1 0 391.331 2.433 20 0 GEADRO O=S(=O)(N[C@H]1CC[NH2+]C1)c1csc(-c2cccc(Br)c2)n1 ZINC000440354067 532710002 /nfs/dbraw/zinc/71/00/02/532710002.db2.gz ZHIBGHRESDUJMT-NSHDSACASA-N 1 0 388.312 2.213 20 0 GEADRO Cc1c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1-c1ccc(Cl)cc1 ZINC000440332978 532710819 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Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CN(C)CCO2)n1C ZINC000643997181 532712290 /nfs/dbraw/zinc/71/22/90/532712290.db2.gz NSCGPMDYYCEMDZ-AWEZNQCLSA-N 1 0 393.285 2.427 20 0 GEADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000574375036 532712847 /nfs/dbraw/zinc/71/28/47/532712847.db2.gz FRIALRDMEWDJQM-UHFFFAOYSA-N 1 0 385.477 2.073 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000492164639 532713239 /nfs/dbraw/zinc/71/32/39/532713239.db2.gz ZFWVAMMFFIUXJD-ZDUSSCGKSA-N 1 0 380.645 2.430 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1Cl ZINC000440410643 532713434 /nfs/dbraw/zinc/71/34/34/532713434.db2.gz QRNAFFPVBMMPMI-YMTOWFKASA-N 1 0 377.869 2.185 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000669120328 532713735 /nfs/dbraw/zinc/71/37/35/532713735.db2.gz UKAQLVJBSBJPCS-NOZJJQNGSA-N 1 0 381.274 2.443 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1ccc(Br)c2c1OCCC2 ZINC000494279046 532715477 /nfs/dbraw/zinc/71/54/77/532715477.db2.gz GQTHHYVUPUENPB-UHFFFAOYSA-N 1 0 385.302 2.472 20 0 GEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)o1 ZINC000440512427 532716029 /nfs/dbraw/zinc/71/60/29/532716029.db2.gz ILAKCHSTUPJUBT-KRWDZBQOSA-N 1 0 379.254 2.409 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670497002 532716883 /nfs/dbraw/zinc/71/68/83/532716883.db2.gz QXRHMCAXFSLSPW-BLLLJJGKSA-N 1 0 386.323 2.451 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000494304048 532717608 /nfs/dbraw/zinc/71/76/08/532717608.db2.gz PTNXIMMUNGXHSP-CYBMUJFWSA-N 1 0 397.317 2.203 20 0 GEADRO Cc1c(Br)cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(=O)n1C ZINC000285930641 532719899 /nfs/dbraw/zinc/71/98/99/532719899.db2.gz UGJIUCMHSTXNPK-YPMHNXCESA-N 1 0 382.302 2.155 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccccc1Br ZINC000670851941 532719936 /nfs/dbraw/zinc/71/99/36/532719936.db2.gz ZCMFCOXVLXUKDV-UONOGXRCSA-N 1 0 396.329 2.302 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)C1 ZINC000646017182 532720108 /nfs/dbraw/zinc/72/01/08/532720108.db2.gz GWSLCBYMRLNLTP-DOMZBBRYSA-N 1 0 381.416 2.423 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cnc3ccc(Br)cc3c1O)C2 ZINC000646020700 532720263 /nfs/dbraw/zinc/72/02/63/532720263.db2.gz YQHJCUGGUBWKCJ-UHFFFAOYSA-N 1 0 376.254 2.068 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC[NH+](C)C)c1 ZINC000299497459 532721255 /nfs/dbraw/zinc/72/12/55/532721255.db2.gz LAFCPNREPQYOQC-UHFFFAOYSA-N 1 0 389.949 2.441 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000646478645 532724431 /nfs/dbraw/zinc/72/44/31/532724431.db2.gz GTWOCKBURRKWMO-UMVBOHGHSA-N 1 0 394.313 2.353 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000612985717 532724580 /nfs/dbraw/zinc/72/45/80/532724580.db2.gz NAOCAYJPLDZXTM-HOCLYGCPSA-N 1 0 393.329 2.469 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987167 532724590 /nfs/dbraw/zinc/72/45/90/532724590.db2.gz UHTARZUOIIDRTR-BBRMVZONSA-N 1 0 396.329 2.041 20 0 GEADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000646496840 532724969 /nfs/dbraw/zinc/72/49/69/532724969.db2.gz HWWADWRFVZHKPN-DLBZAZTESA-N 1 0 386.323 2.451 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccsc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000613012144 532725457 /nfs/dbraw/zinc/72/54/57/532725457.db2.gz NDSUDOQZTUIEEV-GFCCVEGCSA-N 1 0 378.947 2.373 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NCC[NH+]2CCCCC2)c1 ZINC000409595419 532725784 /nfs/dbraw/zinc/72/57/84/532725784.db2.gz PTACIMVEZRWQSC-UHFFFAOYSA-N 1 0 391.331 2.363 20 0 GEADRO C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000299547704 532726073 /nfs/dbraw/zinc/72/60/73/532726073.db2.gz QDNOZKPBVPNVPY-INIZCTEOSA-N 1 0 394.313 2.264 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC000539236085 532726447 /nfs/dbraw/zinc/72/64/47/532726447.db2.gz CJBHJEZZKPSPBK-INIZCTEOSA-N 1 0 395.345 2.071 20 0 GEADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000499761275 532727054 /nfs/dbraw/zinc/72/70/54/532727054.db2.gz SBYGESJGDDYQLO-CXAGYDPISA-N 1 0 395.345 2.151 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000266835805 532727151 /nfs/dbraw/zinc/72/71/51/532727151.db2.gz NUQJQVRJCREFLI-UHFFFAOYSA-N 1 0 377.507 2.211 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)[C@H](C)N1CCOCC1 ZINC000576220308 532727770 /nfs/dbraw/zinc/72/77/70/532727770.db2.gz MBPUWARFSUZYBE-KGLIPLIRSA-N 1 0 384.318 2.477 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000673840427 532732743 /nfs/dbraw/zinc/73/27/43/532732743.db2.gz WWYCCSSSXDMYSM-OAHLLOKOSA-N 1 0 387.571 2.092 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000613138212 532728151 /nfs/dbraw/zinc/72/81/51/532728151.db2.gz DOULOIOZPWHXPM-DYVFJYSZSA-N 1 0 395.345 2.251 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000672693571 532728701 /nfs/dbraw/zinc/72/87/01/532728701.db2.gz XXKUAMHJVLWAFR-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000576766692 532728996 /nfs/dbraw/zinc/72/89/96/532728996.db2.gz UIZZLIXVTUFKSY-ZDUSSCGKSA-N 1 0 385.917 2.405 20 0 GEADRO COC(=O)[C@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000409839579 532729112 /nfs/dbraw/zinc/72/91/12/532729112.db2.gz AHKNKRNEJZTETD-CABCVRRESA-N 1 0 383.286 2.148 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C)c1cncc(Br)c1 ZINC000576768679 532729578 /nfs/dbraw/zinc/72/95/78/532729578.db2.gz YKHIOJXHDJVCQK-DETPVDSQSA-N 1 0 392.301 2.448 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000539418852 532730610 /nfs/dbraw/zinc/73/06/10/532730610.db2.gz OLFKETGYRDJSER-ZDUSSCGKSA-N 1 0 382.302 2.212 20 0 GEADRO CCCN(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000539460289 532730633 /nfs/dbraw/zinc/73/06/33/532730633.db2.gz VWWYDVJVTOJWTN-IRXDYDNUSA-N 1 0 375.579 2.352 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)CCCC[NH+](C)C)s1 ZINC000673839702 532732081 /nfs/dbraw/zinc/73/20/81/532732081.db2.gz MYNPEIQBORJDKX-OAHLLOKOSA-N 1 0 387.571 2.010 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000577078973 532732285 /nfs/dbraw/zinc/73/22/85/532732285.db2.gz TVTQRBIAJUVYHC-MRVPVSSYSA-N 1 0 394.191 2.227 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000502855305 532742086 /nfs/dbraw/zinc/74/20/86/532742086.db2.gz IQQYRZCBGZANGK-YPMHNXCESA-N 1 0 379.309 2.271 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000502858939 532742357 /nfs/dbraw/zinc/74/23/57/532742357.db2.gz UJDMNCKQZFQUEO-GLQYFDAESA-N 1 0 382.302 2.131 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1F)NCCCC[N@H+]1CCC[C@H]1CO ZINC000443294974 532744229 /nfs/dbraw/zinc/74/42/29/532744229.db2.gz IRQAFLNSNDJGJD-HNNXBMFYSA-N 1 0 378.897 2.135 20 0 GEADRO CC(=O)N1CCC(C[NH2+]Cc2ncc(I)s2)CC1 ZINC000286395355 532744478 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O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1cccc(Br)c1 ZINC000540902916 532747659 /nfs/dbraw/zinc/74/76/59/532747659.db2.gz QMFFQPQCOUIPNI-CABCVRRESA-N 1 0 395.301 2.314 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000577088245 532733180 /nfs/dbraw/zinc/73/31/80/532733180.db2.gz TWZFSHKUTKJEGD-BBRMVZONSA-N 1 0 396.329 2.397 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])ccc1Br ZINC000577109725 532733423 /nfs/dbraw/zinc/73/34/23/532733423.db2.gz LJDCXNTXBZMBKW-LLVKDONJSA-N 1 0 377.304 2.350 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000442758663 532734026 /nfs/dbraw/zinc/73/40/26/532734026.db2.gz BAOOGHADLCJMBP-CQSZACIVSA-N 1 0 386.539 2.196 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1cc(C)ccc1I ZINC000299674086 532734331 /nfs/dbraw/zinc/73/43/31/532734331.db2.gz QBRBLEODCSIHCX-UHFFFAOYSA-N 1 0 390.265 2.298 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000267150551 532734943 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C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000286936518 532776082 /nfs/dbraw/zinc/77/60/82/532776082.db2.gz JOIVBBXQWHKLMN-WFASDCNBSA-N 1 0 382.302 2.006 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000269173538 532776924 /nfs/dbraw/zinc/77/69/24/532776924.db2.gz KJPDAOJDGJSTOD-SUMWQHHRSA-N 1 0 386.323 2.483 20 0 GEADRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000286984651 532777447 /nfs/dbraw/zinc/77/74/47/532777447.db2.gz JGHHNKJWXNDKNA-SNVBAGLBSA-N 1 0 375.288 2.094 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CCCO1 ZINC000313347533 532778531 /nfs/dbraw/zinc/77/85/31/532778531.db2.gz SLEPZNSRVXHBGS-JTQLQIEISA-N 1 0 394.640 2.134 20 0 GEADRO COc1cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc(Br)c1O ZINC000512894530 532778585 /nfs/dbraw/zinc/77/85/85/532778585.db2.gz KEHNEJDKXQIPFO-VIFPVBQESA-N 1 0 378.288 2.219 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(I)c1)C1(S(C)(=O)=O)CC1 ZINC000512880023 532778649 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O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286803683 532770621 /nfs/dbraw/zinc/77/06/21/532770621.db2.gz QZOUAGNZWSAVSJ-GFCCVEGCSA-N 1 0 377.286 2.050 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268814039 532771451 /nfs/dbraw/zinc/77/14/51/532771451.db2.gz LWJWMMYYUSZRHG-GFCCVEGCSA-N 1 0 398.497 2.005 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC000510018450 532771927 /nfs/dbraw/zinc/77/19/27/532771927.db2.gz ISMLNPRDXJZOBA-UHFFFAOYSA-N 1 0 387.977 2.218 20 0 GEADRO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286873184 532773589 /nfs/dbraw/zinc/77/35/89/532773589.db2.gz ZDNWCIGWJZPVMN-LBPRGKRZSA-N 1 0 395.276 2.189 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H]2CCCOC2)ccc1Br ZINC000411986075 532782249 /nfs/dbraw/zinc/78/22/49/532782249.db2.gz DZDQACQLHIXWOP-ZENOOKHLSA-N 1 0 385.302 2.462 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314741351 532782326 /nfs/dbraw/zinc/78/23/26/532782326.db2.gz LJRIGJYUIGMVBW-PHIMTYICSA-N 1 0 377.279 2.208 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]2CCCOC2)ccc1Br ZINC000411986071 532782859 /nfs/dbraw/zinc/78/28/59/532782859.db2.gz DZDQACQLHIXWOP-WOSRLPQWSA-N 1 0 385.302 2.462 20 0 GEADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000411982088 532782899 /nfs/dbraw/zinc/78/28/99/532782899.db2.gz JKOXFFPLUGBXEC-GWCFXTLKSA-N 1 0 378.803 2.257 20 0 GEADRO CN1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000317137729 532783529 /nfs/dbraw/zinc/78/35/29/532783529.db2.gz DYRGNYBXHQVHHM-JTQLQIEISA-N 1 0 380.208 2.183 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411995192 532783583 /nfs/dbraw/zinc/78/35/83/532783583.db2.gz PEDMXQTZDXPZRM-XJKSGUPXSA-N 1 0 375.296 2.329 20 0 GEADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)NCCc1cccc(Cl)c1Cl ZINC000411998456 532783648 /nfs/dbraw/zinc/78/36/48/532783648.db2.gz VVMULEFPSIJYBL-UKRRQHHQSA-N 1 0 375.296 2.029 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000545204656 532783871 /nfs/dbraw/zinc/78/38/71/532783871.db2.gz OUSUCJKDNOUJMZ-UHFFFAOYSA-N 1 0 385.486 2.110 20 0 GEADRO CSC1(CNC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000287164032 532784876 /nfs/dbraw/zinc/78/48/76/532784876.db2.gz RUUUZIGHYJWXQJ-UHFFFAOYSA-N 1 0 381.567 2.088 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1OC ZINC000319253763 532785545 /nfs/dbraw/zinc/78/55/45/532785545.db2.gz CIHHYHLFUVVAQX-SNVBAGLBSA-N 1 0 395.319 2.262 20 0 GEADRO CC(C)[N@H+](C[C@H](O)COc1ccc(Br)cc1)C[C@H]1CCC(=O)N1 ZINC000412085726 532785833 /nfs/dbraw/zinc/78/58/33/532785833.db2.gz ZOFWCIBMFORICD-CABCVRRESA-N 1 0 385.302 2.178 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nccn2c(Br)cnc12 ZINC000287197099 532786130 /nfs/dbraw/zinc/78/61/30/532786130.db2.gz PGHNSXGUJQQEAC-VXGBXAGGSA-N 1 0 378.274 2.191 20 0 GEADRO C[C@H](N1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1)C(F)(F)F ZINC000412169077 532786558 /nfs/dbraw/zinc/78/65/58/532786558.db2.gz RIXWSGHHKVFDKQ-ZFWWWQNUSA-N 1 0 379.492 2.299 20 0 GEADRO Cc1c(Cl)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)sc1S(N)(=O)=O ZINC000287266688 532789225 /nfs/dbraw/zinc/78/92/25/532789225.db2.gz SEDRYXVAJFXFHQ-MNOVXSKESA-N 1 0 391.946 2.056 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000457200079 532789476 /nfs/dbraw/zinc/78/94/76/532789476.db2.gz DIWHNCUEKVDIOT-UHFFFAOYSA-N 1 0 398.301 2.021 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cccc2cc(Br)cnc21 ZINC000287280262 532789790 /nfs/dbraw/zinc/78/97/90/532789790.db2.gz RMTPQQGGWFXGEL-CQSZACIVSA-N 1 0 392.301 2.365 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000287281792 532790007 /nfs/dbraw/zinc/79/00/07/532790007.db2.gz SUMNJMZSWRETIX-BBRMVZONSA-N 1 0 394.313 2.264 20 0 GEADRO CON1CCC([N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000459581452 532796840 /nfs/dbraw/zinc/79/68/40/532796840.db2.gz OPWCJKABMCADRF-HNNXBMFYSA-N 1 0 391.281 2.286 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccsc2Br)C1 ZINC000287298839 532790429 /nfs/dbraw/zinc/79/04/29/532790429.db2.gz VCAUPUWOWBVIQF-NWDGAFQWSA-N 1 0 388.331 2.116 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1Br ZINC000287315133 532791350 /nfs/dbraw/zinc/79/13/50/532791350.db2.gz GZXCMIMXHOOKEN-GFCCVEGCSA-N 1 0 393.285 2.287 20 0 GEADRO CN(C)CCN(Cc1ccsc1)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000458223296 532793482 /nfs/dbraw/zinc/79/34/82/532793482.db2.gz MTERLJPHILXHHD-UHFFFAOYSA-N 1 0 380.535 2.285 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270366104 532796121 /nfs/dbraw/zinc/79/61/21/532796121.db2.gz ZIPHZUUTSCRUKA-XHDPSFHLSA-N 1 0 381.325 2.288 20 0 GEADRO O=C(Nc1cncc(Br)c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000270360363 532796165 /nfs/dbraw/zinc/79/61/65/532796165.db2.gz RGYFJIIFCXNBHQ-GJZGRUSLSA-N 1 0 383.290 2.343 20 0 GEADRO COC(=O)[C@H]1CN(C)CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000411923149 532780619 /nfs/dbraw/zinc/78/06/19/532780619.db2.gz VSNKRTJQNNSKRX-HNNXBMFYSA-N 1 0 397.313 2.449 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000314267777 532781008 /nfs/dbraw/zinc/78/10/08/532781008.db2.gz JEYGFFRTXPXQTA-LBPRGKRZSA-N 1 0 389.315 2.411 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)N(C)C)C2)ccc1Br ZINC000411935183 532781501 /nfs/dbraw/zinc/78/15/01/532781501.db2.gz DHYDLHYYHPIHPN-STQMWFEESA-N 1 0 382.302 2.495 20 0 GEADRO Cc1c(C(=O)NCCOCC[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000544346345 532781492 /nfs/dbraw/zinc/78/14/92/532781492.db2.gz SPEJRJSMMUOPFP-UHFFFAOYSA-N 1 0 395.301 2.251 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000287676245 532805730 /nfs/dbraw/zinc/80/57/30/532805730.db2.gz AGNDHEMUIOYZIV-JTQLQIEISA-N 1 0 379.258 2.002 20 0 GEADRO CC(C)[NH+]1CCC(N(C)C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000271241280 532805826 /nfs/dbraw/zinc/80/58/26/532805826.db2.gz YTHQWJMNUKOHIX-UHFFFAOYSA-N 1 0 380.290 2.437 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2ccsc2Br)CC1 ZINC000287670600 532805917 /nfs/dbraw/zinc/80/59/17/532805917.db2.gz RLZICZKHEVHNKN-UHFFFAOYSA-N 1 0 388.331 2.070 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)NC1CC[NH+](CC2CC2)CC1 ZINC000287694290 532806688 /nfs/dbraw/zinc/80/66/88/532806688.db2.gz RGTPXECTFKAQDC-UHFFFAOYSA-N 1 0 384.322 2.209 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)NCCC(C)(C)S(C)(=O)=O)[NH+]1CCCC1 ZINC000413078219 532806712 /nfs/dbraw/zinc/80/67/12/532806712.db2.gz BYMBKBYSYABJNO-MRXNPFEDSA-N 1 0 375.579 2.400 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccccc1Br ZINC000287724718 532808009 /nfs/dbraw/zinc/80/80/09/532808009.db2.gz CKJINRJRQXESOO-STQMWFEESA-N 1 0 380.286 2.473 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1[nH]nc(C2CC2)c1Br ZINC000329583812 532808378 /nfs/dbraw/zinc/80/83/78/532808378.db2.gz LTTZAZIMGYGYPH-LLVKDONJSA-N 1 0 397.317 2.280 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2ccccc2Br)CCCCC1 ZINC000555647836 532808714 /nfs/dbraw/zinc/80/87/14/532808714.db2.gz FDLFPXZQGAONAJ-UHFFFAOYSA-N 1 0 396.329 2.446 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)ccc1S(=O)(=O)C(F)F ZINC000271563680 532809136 /nfs/dbraw/zinc/80/91/36/532809136.db2.gz YCPJNRVRRCHERW-GEDWGEIESA-N 1 0 383.482 2.499 20 0 GEADRO C[C@H]1C[NH+](CC2CCN(C(=O)c3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000555738451 532809657 /nfs/dbraw/zinc/80/96/57/532809657.db2.gz JVHXNBMHSDWEFU-STQMWFEESA-N 1 0 399.333 2.144 20 0 GEADRO CCCc1ccc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000556361153 532810293 /nfs/dbraw/zinc/81/02/93/532810293.db2.gz SBLOTTGRGJOALP-UHFFFAOYSA-N 1 0 375.966 2.406 20 0 GEADRO Cn1cc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c(C(F)(F)F)n1 ZINC000328786903 532798061 /nfs/dbraw/zinc/79/80/61/532798061.db2.gz WWYGVNBGDGUADY-UHFFFAOYSA-N 1 0 380.436 2.124 20 0 GEADRO COC(=O)[C@H](C)Sc1ccccc1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000270544567 532799687 /nfs/dbraw/zinc/79/96/87/532799687.db2.gz YJFWDIOYEVEWET-NOLJZWGESA-N 1 0 382.551 2.458 20 0 GEADRO Cc1cc(C)c(Br)c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000461012269 532799761 /nfs/dbraw/zinc/79/97/61/532799761.db2.gz BHHXKHRUAAQOKT-CQSZACIVSA-N 1 0 382.302 2.136 20 0 GEADRO NC(=O)C[C@H]([NH2+]Cc1cccc(I)c1)C1CCOCC1 ZINC000551587611 532800590 /nfs/dbraw/zinc/80/05/90/532800590.db2.gz KCEBHDFQJZBVNH-AWEZNQCLSA-N 1 0 388.249 2.051 20 0 GEADRO COc1ccc(C[NH2+]CC(=O)Nc2ccc(I)cc2)cn1 ZINC000551588209 532800617 /nfs/dbraw/zinc/80/06/17/532800617.db2.gz RSDYAAKLWVEDMW-UHFFFAOYSA-N 1 0 397.216 2.423 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000462199641 532800976 /nfs/dbraw/zinc/80/09/76/532800976.db2.gz NGRWGJLXCIBMIM-ZUZCIYMTSA-N 1 0 381.270 2.448 20 0 GEADRO COc1cc(NC(=O)CN2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(OC)cc1Cl ZINC000270659658 532801064 /nfs/dbraw/zinc/80/10/64/532801064.db2.gz OIMFHYHLFFAFRH-XJKSGUPXSA-N 1 0 387.933 2.273 20 0 GEADRO CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3ccsc3)cc2)CC1 ZINC000551963761 532803021 /nfs/dbraw/zinc/80/30/21/532803021.db2.gz MHTPVTYUGSPGII-UHFFFAOYSA-N 1 0 379.551 2.364 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000329144592 532803157 /nfs/dbraw/zinc/80/31/57/532803157.db2.gz WKSJFOSGNWCMRS-ZDUSSCGKSA-N 1 0 385.921 2.234 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000271025635 532803262 /nfs/dbraw/zinc/80/32/62/532803262.db2.gz VXMPJOSCFSJANU-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000287629255 532803958 /nfs/dbraw/zinc/80/39/58/532803958.db2.gz ZLVQMLGPWCFUTK-UHFFFAOYSA-N 1 0 393.962 2.305 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000271172754 532804071 /nfs/dbraw/zinc/80/40/71/532804071.db2.gz XOMQAWJVQJRIGR-YOEHRIQHSA-N 1 0 397.313 2.317 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+][C@H]3CCOc4c(Br)cccc43)CC2)N1 ZINC000554559616 532804933 /nfs/dbraw/zinc/80/49/33/532804933.db2.gz NJSCVQXQVSAVSA-LBCLYVMASA-N 1 0 394.269 2.383 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000271962373 532812742 /nfs/dbraw/zinc/81/27/42/532812742.db2.gz ZLDBJTYIMNAGAB-UHFFFAOYSA-N 1 0 386.677 2.419 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000287910994 532812998 /nfs/dbraw/zinc/81/29/98/532812998.db2.gz RQXPOXSXUVNWIB-OAHLLOKOSA-N 1 0 397.317 2.051 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(Cl)c1OC ZINC000272095133 532813209 /nfs/dbraw/zinc/81/32/09/532813209.db2.gz UMJIIUCDAUQZTF-CXAGYDPISA-N 1 0 389.901 2.183 20 0 GEADRO C[C@@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)C[NH+]1CCCCC1 ZINC000556664911 532811545 /nfs/dbraw/zinc/81/15/45/532811545.db2.gz BIVUMPDKPMVCJA-LBPRGKRZSA-N 1 0 395.305 2.735 20 0 GEADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@]2(CCOC2)O1 ZINC000330164848 532815140 /nfs/dbraw/zinc/81/51/40/532815140.db2.gz WJZFBNLGSSKKSB-FRFSOERESA-N 1 0 386.286 2.069 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413797495 532814692 /nfs/dbraw/zinc/81/46/92/532814692.db2.gz ITKXMCHEDWSTFB-LLVKDONJSA-N 1 0 391.256 2.233 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)[nH]1 ZINC000272713896 532817384 /nfs/dbraw/zinc/81/73/84/532817384.db2.gz CEZRCVPNGHNSDN-UHFFFAOYSA-N 1 0 380.242 2.083 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)c1ccc(C(F)F)cc1)N1CC[NH+](C)CC1 ZINC000288112991 532817603 /nfs/dbraw/zinc/81/76/03/532817603.db2.gz LQADKCWGRYMORI-INIZCTEOSA-N 1 0 375.485 2.175 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000330185183 532815870 /nfs/dbraw/zinc/81/58/70/532815870.db2.gz IZSRADBBUIHLJS-MJBXVCDLSA-N 1 0 376.473 2.174 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3I)[C@@H]2C1 ZINC000272500363 532816452 /nfs/dbraw/zinc/81/64/52/532816452.db2.gz NSRLXQHACBQACN-IUODEOHRSA-N 1 0 384.261 2.386 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000288096636 532817263 /nfs/dbraw/zinc/81/72/63/532817263.db2.gz INEHMFUFRJNSMN-HNNXBMFYSA-N 1 0 384.322 2.306 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000414077018 532818893 /nfs/dbraw/zinc/81/88/93/532818893.db2.gz YRBDXDUEHVDSDF-CYBMUJFWSA-N 1 0 392.297 2.491 20 0 GEADRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000414153278 532819841 /nfs/dbraw/zinc/81/98/41/532819841.db2.gz ZBOTWYDJHWXOQO-ZMLRMANQSA-N 1 0 377.304 2.315 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CCN(C(=O)N(C)C)CC2)c1 ZINC000414213040 532820032 /nfs/dbraw/zinc/82/00/32/532820032.db2.gz RXJGPUFVNVIRFT-UHFFFAOYSA-N 1 0 387.933 2.369 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3ncsc3Br)CC2)CC1 ZINC000288123053 532818242 /nfs/dbraw/zinc/81/82/42/532818242.db2.gz YIUVZXADSWCJMQ-UHFFFAOYSA-N 1 0 387.347 2.194 20 0 GEADRO CN(C)c1ncc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)n1C ZINC000414352557 532821957 /nfs/dbraw/zinc/82/19/57/532821957.db2.gz XERSVYRKSXSWAV-UHFFFAOYSA-N 1 0 394.317 2.158 20 0 GEADRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000414365624 532822269 /nfs/dbraw/zinc/82/22/69/532822269.db2.gz MIYVBLGSWNOOJA-PWSUYJOCSA-N 1 0 377.304 2.001 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C[C@@H]1C ZINC000330609051 532822398 /nfs/dbraw/zinc/82/23/98/532822398.db2.gz LRSZNUDWCULTTB-STQMWFEESA-N 1 0 384.311 2.461 20 0 GEADRO CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414373544 532822725 /nfs/dbraw/zinc/82/27/25/532822725.db2.gz ZJHGUGMDJADBCA-CYBMUJFWSA-N 1 0 393.347 2.231 20 0 GEADRO C[C@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCS1 ZINC000414384142 532823253 /nfs/dbraw/zinc/82/32/53/532823253.db2.gz VAEVZNHWZXVHGO-CYBMUJFWSA-N 1 0 379.345 2.472 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000288406781 532826150 /nfs/dbraw/zinc/82/61/50/532826150.db2.gz JLIYHXHWLOLBSI-DCAQKATOSA-N 1 0 380.436 2.319 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]nc(C(C)C)c2Br)C1 ZINC000330656670 532823995 /nfs/dbraw/zinc/82/39/95/532823995.db2.gz PBWKDMFGIOPKKM-GFCCVEGCSA-N 1 0 387.322 2.382 20 0 GEADRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000414456687 532828140 /nfs/dbraw/zinc/82/81/40/532828140.db2.gz HPCGAPZFOVDEOQ-UHFFFAOYSA-N 1 0 382.507 2.261 20 0 GEADRO O=S1(=O)CCC(C[NH2+][C@@H](CCO)c2ccccc2Br)CC1 ZINC000330849919 532828299 /nfs/dbraw/zinc/82/82/99/532828299.db2.gz ZYKQVTLUHKUNBS-HNNXBMFYSA-N 1 0 376.316 2.287 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000288538105 532830533 /nfs/dbraw/zinc/83/05/33/532830533.db2.gz FBKLTPGKCPKHHO-AWEZNQCLSA-N 1 0 383.286 2.268 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000330881694 532828712 /nfs/dbraw/zinc/82/87/12/532828712.db2.gz ZNTYDWPAHRURNT-BBRMVZONSA-N 1 0 396.329 2.366 20 0 GEADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000330885690 532828723 /nfs/dbraw/zinc/82/87/23/532828723.db2.gz FUVRYIFAZSBKDD-UHFFFAOYSA-N 1 0 376.320 2.244 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c1 ZINC000414463556 532828793 /nfs/dbraw/zinc/82/87/93/532828793.db2.gz JYUPUUFSSCVETQ-STQMWFEESA-N 1 0 377.304 2.219 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000288493297 532829465 /nfs/dbraw/zinc/82/94/65/532829465.db2.gz AROFTIQTQLOQBO-KBPBESRZSA-N 1 0 393.242 2.313 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000414505302 532831645 /nfs/dbraw/zinc/83/16/45/532831645.db2.gz ZNSHYWRBPWMGKZ-OAHLLOKOSA-N 1 0 396.329 2.196 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414569540 532832344 /nfs/dbraw/zinc/83/23/44/532832344.db2.gz PKSORZBDDQHNIZ-UHFFFAOYSA-N 1 0 398.330 2.431 20 0 GEADRO CS[C@@H]1CN(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C[C@H]1[NH+](C)C ZINC000273718260 532832830 /nfs/dbraw/zinc/83/28/30/532832830.db2.gz PCZJHFJKXNVRJT-HZPDHXFCSA-N 1 0 385.555 2.049 20 0 GEADRO COc1cc(CN[C@H]2CCC[NH2+]C2)cc(I)c1OC ZINC000414869583 532835675 /nfs/dbraw/zinc/83/56/75/532835675.db2.gz RKWPWHLOGDOGRK-NSHDSACASA-N 1 0 376.238 2.150 20 0 GEADRO COc1cc(CN[C@H]2CC[NH2+]C[C@H]2C)cc(I)c1OC ZINC000414946396 532835984 /nfs/dbraw/zinc/83/59/84/532835984.db2.gz TXRGEEFSTHIWLI-MFKMUULPSA-N 1 0 390.265 2.396 20 0 GEADRO COc1cc(CN[C@H]2CC[NH2+]C[C@@H]2C)cc(I)c1OC ZINC000414946393 532836098 /nfs/dbraw/zinc/83/60/98/532836098.db2.gz TXRGEEFSTHIWLI-GWCFXTLKSA-N 1 0 390.265 2.396 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414923529 532836120 /nfs/dbraw/zinc/83/61/20/532836120.db2.gz FLFWIIPSVJVQOO-STQMWFEESA-N 1 0 397.317 2.487 20 0 GEADRO CCN(CCC[NH2+][C@H](C)c1cc(Br)ncc1F)S(C)(=O)=O ZINC000273810996 532835324 /nfs/dbraw/zinc/83/53/24/532835324.db2.gz AVAUJHNKHNBBKO-SNVBAGLBSA-N 1 0 382.299 2.305 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)s1 ZINC000288687676 532835455 /nfs/dbraw/zinc/83/54/55/532835455.db2.gz NAUAODFKIZZSJH-ZIAGYGMSSA-N 1 0 385.555 2.310 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000414991532 532836697 /nfs/dbraw/zinc/83/66/97/532836697.db2.gz QKIAXQPLQTWUGD-CQSZACIVSA-N 1 0 397.317 2.278 20 0 GEADRO CC1(CO)CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000331279590 532836812 /nfs/dbraw/zinc/83/68/12/532836812.db2.gz ZUMPAGZMPFMFKW-AWEZNQCLSA-N 1 0 376.266 2.422 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331274539 532836833 /nfs/dbraw/zinc/83/68/33/532836833.db2.gz WQGRXZBMSJPYKF-GFCCVEGCSA-N 1 0 398.219 2.420 20 0 GEADRO COc1ccc(I)c(NC(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000415075697 532837202 /nfs/dbraw/zinc/83/72/02/532837202.db2.gz RDPPPNBULCITJY-SECBINFHSA-N 1 0 375.210 2.255 20 0 GEADRO CCC[NH2+]CCNC(=O)Nc1cc(OC)ccc1I ZINC000415072152 532837219 /nfs/dbraw/zinc/83/72/19/532837219.db2.gz LNZFZULCFOGRKQ-UHFFFAOYSA-N 1 0 377.226 2.421 20 0 GEADRO COc1ccc(I)c(NC(=O)N(C)C2CC([NH3+])C2)c1 ZINC000415071601 532837511 /nfs/dbraw/zinc/83/75/11/532837511.db2.gz KQUUTJNGTORUOI-UHFFFAOYSA-N 1 0 375.210 2.253 20 0 GEADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000415123471 532837707 /nfs/dbraw/zinc/83/77/07/532837707.db2.gz PVEGZSABUNNZCA-ZDUSSCGKSA-N 1 0 395.257 2.420 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415114780 532838123 /nfs/dbraw/zinc/83/81/23/532838123.db2.gz GENOEGAJNSYHTK-SSDOTTSWSA-N 1 0 381.164 2.382 20 0 GEADRO COc1c(Br)cccc1CN1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415127455 532838723 /nfs/dbraw/zinc/83/87/23/532838723.db2.gz NDZYQEXVSWVSHT-AWEZNQCLSA-N 1 0 380.290 2.345 20 0 GEADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000415233794 532839106 /nfs/dbraw/zinc/83/91/06/532839106.db2.gz WRIJBMCBNZBRSL-LBPRGKRZSA-N 1 0 399.314 2.280 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000415204740 532839179 /nfs/dbraw/zinc/83/91/79/532839179.db2.gz XTTMEKKKBGPOSV-SDDRHHMPSA-N 1 0 386.905 2.221 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000274023863 532839800 /nfs/dbraw/zinc/83/98/00/532839800.db2.gz WHNHYROCOYIPHV-UHFFFAOYSA-N 1 0 388.331 2.055 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000415261185 532840088 /nfs/dbraw/zinc/84/00/88/532840088.db2.gz DBEYPZNJCMHEON-SECBINFHSA-N 1 0 394.191 2.356 20 0 GEADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000288847234 532840141 /nfs/dbraw/zinc/84/01/41/532840141.db2.gz WMWHNFIPSIGHHV-BXUZGUMPSA-N 1 0 378.274 2.416 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CCCCC1 ZINC000415278917 532840381 /nfs/dbraw/zinc/84/03/81/532840381.db2.gz IFDJWUHVJVDAJH-UHFFFAOYSA-N 1 0 398.276 2.255 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC3CC[NH2+]CC3)cc2)n1 ZINC000415273634 532840406 /nfs/dbraw/zinc/84/04/06/532840406.db2.gz WZTGEWRRVISEHT-UHFFFAOYSA-N 1 0 376.507 2.409 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)C1 ZINC000415282112 532840445 /nfs/dbraw/zinc/84/04/45/532840445.db2.gz MCIDQYDTDDOOKW-LLVKDONJSA-N 1 0 386.265 2.293 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(Cl)cc1I ZINC000415278029 532840590 /nfs/dbraw/zinc/84/05/90/532840590.db2.gz ABIBISIFSIITQC-VIFPVBQESA-N 1 0 395.628 2.055 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2c(C)ccc(F)c2Br)C1 ZINC000415278160 532840593 /nfs/dbraw/zinc/84/05/93/532840593.db2.gz GDSVDHVWHATBGN-LLVKDONJSA-N 1 0 386.265 2.293 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000415298126 532840718 /nfs/dbraw/zinc/84/07/18/532840718.db2.gz WIQOYKKSJXQHLM-SECBINFHSA-N 1 0 381.807 2.493 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415295330 532840806 /nfs/dbraw/zinc/84/08/06/532840806.db2.gz HONPUMQNIYOZQK-NSHDSACASA-N 1 0 376.254 2.361 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2F)C1 ZINC000415288692 532840813 /nfs/dbraw/zinc/84/08/13/532840813.db2.gz ZYLQDLFHCAHNFM-LLVKDONJSA-N 1 0 386.265 2.293 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000415295219 532840849 /nfs/dbraw/zinc/84/08/49/532840849.db2.gz HGMPFLCJPDMTDI-SNVBAGLBSA-N 1 0 379.766 2.040 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415285348 532841032 /nfs/dbraw/zinc/84/10/32/532841032.db2.gz RNLQETHHZNKDPE-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO CN(C(=O)C(=O)Nc1cccc2c(Br)ccnc12)C1CC[NH2+]CC1 ZINC000415316647 532841442 /nfs/dbraw/zinc/84/14/42/532841442.db2.gz BKMXCXVDWOGGMD-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000331595983 532841653 /nfs/dbraw/zinc/84/16/53/532841653.db2.gz YKVPNVRJAYACPG-QMTHXVAHSA-N 1 0 389.315 2.219 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCn2cc(Br)cn2)C1 ZINC000288918463 532841763 /nfs/dbraw/zinc/84/17/63/532841763.db2.gz WYUGHHRNMBCUPI-DZGCQCFKSA-N 1 0 384.322 2.161 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1n[nH]c2ccc(I)cc21 ZINC000331609405 532841773 /nfs/dbraw/zinc/84/17/73/532841773.db2.gz DPSWLASLIGTFIM-NSHDSACASA-N 1 0 398.248 2.334 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000415350012 532842202 /nfs/dbraw/zinc/84/22/02/532842202.db2.gz HPYDDZIPQGFNTA-UHFFFAOYSA-N 1 0 384.274 2.172 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000415351161 532842239 /nfs/dbraw/zinc/84/22/39/532842239.db2.gz HLYMNNIWZRUGTP-VIFPVBQESA-N 1 0 379.766 2.027 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415349611 532842415 /nfs/dbraw/zinc/84/24/15/532842415.db2.gz GZDZLFFRNMCUOC-NEPJUHHUSA-N 1 0 398.301 2.291 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)cc2)n1 ZINC000415360852 532842619 /nfs/dbraw/zinc/84/26/19/532842619.db2.gz ZUFPXSIJXQOQEC-LBPRGKRZSA-N 1 0 376.507 2.362 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415362569 532842705 /nfs/dbraw/zinc/84/27/05/532842705.db2.gz PWXGQEYTWJGMMZ-ZETCQYMHSA-N 1 0 398.179 2.140 20 0 GEADRO C[C@@H](NC(=O)c1sccc1Br)C(=O)NCC[NH+]1CCCCC1 ZINC000331687025 532842720 /nfs/dbraw/zinc/84/27/20/532842720.db2.gz AIBGYGUCHWBGLN-LLVKDONJSA-N 1 0 388.331 2.231 20 0 GEADRO COc1ccc(CN(C)C(=O)CN(C)CCn2cc(Br)cn2)cc1 ZINC000288951930 532842885 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Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC000359928817 206271374 /nfs/dbraw/zinc/27/13/74/206271374.db2.gz ZZSCPDHTKMYFKM-RBSFLKMASA-N 1 0 399.495 2.466 20 0 GEADRO COC(=O)c1ccnc(N2CCC[N@H+](CCC(=O)N(C)c3ccccc3)CC2)c1 ZINC000359976891 206274803 /nfs/dbraw/zinc/27/48/03/206274803.db2.gz IQGIVEZDQOCDGZ-UHFFFAOYSA-N 1 0 396.491 2.433 20 0 GEADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)CC1 ZINC000359997290 206276572 /nfs/dbraw/zinc/27/65/72/206276572.db2.gz JABAWVODLXSBCM-JXFKEZNVSA-N 1 0 387.524 2.343 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CCO[C@H](CC(C)C)C2)CC1 ZINC000359993608 206277577 /nfs/dbraw/zinc/27/75/77/206277577.db2.gz LCYLVVIUIFFKQJ-QZTJIDSGSA-N 1 0 398.573 2.363 20 0 GEADRO Cn1cc([C@H](CO)NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000359993254 206277356 /nfs/dbraw/zinc/27/73/56/206277356.db2.gz JSXZJLYIEZTZKW-WJMWBRGCSA-N 1 0 397.523 2.053 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C)c2Br)C1 ZINC000415388783 532843583 /nfs/dbraw/zinc/84/35/83/532843583.db2.gz DMQJNSAAMSYWRW-SNVBAGLBSA-N 1 0 388.693 2.417 20 0 GEADRO c1nc([C@@H]2CCCO2)sc1C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000359997565 206278982 /nfs/dbraw/zinc/27/89/82/206278982.db2.gz VAFOCGFRFGRDPF-ZBFHGGJFSA-N 1 0 399.524 2.439 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000415388972 532843694 /nfs/dbraw/zinc/84/36/94/532843694.db2.gz FMJHQFWSHSPMNH-LLVKDONJSA-N 1 0 375.803 2.480 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000415393853 532844089 /nfs/dbraw/zinc/84/40/89/532844089.db2.gz KRKSUTJPCCBNGQ-MRVPVSSYSA-N 1 0 390.228 2.252 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415403843 532844494 /nfs/dbraw/zinc/84/44/94/532844494.db2.gz AJOCTAYQCLHROX-SSDOTTSWSA-N 1 0 380.645 2.152 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1Br ZINC000415403120 532844586 /nfs/dbraw/zinc/84/45/86/532844586.db2.gz JQHIMHHLKIJQLT-NSHDSACASA-N 1 0 386.265 2.341 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)[C@H](C)C[NH2+]1 ZINC000331825781 532844944 /nfs/dbraw/zinc/84/49/44/532844944.db2.gz DBKOZKGQLMSTKI-GHMZBOCLSA-N 1 0 379.262 2.244 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415427609 532845004 /nfs/dbraw/zinc/84/50/04/532845004.db2.gz NHSUSCVLCVNXML-SECBINFHSA-N 1 0 378.217 2.155 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)C[N@@H+]1C1CC1 ZINC000289031665 532845211 /nfs/dbraw/zinc/84/52/11/532845211.db2.gz VYFQRCBSKQVBHI-TZMCWYRMSA-N 1 0 394.313 2.149 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)C1CC1 ZINC000415440060 532845297 /nfs/dbraw/zinc/84/52/97/532845297.db2.gz DGNIDSQYDZFLMD-SNVBAGLBSA-N 1 0 378.629 2.034 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415435561 532845428 /nfs/dbraw/zinc/84/54/28/532845428.db2.gz XTMMJTPUOBRVMD-GFCCVEGCSA-N 1 0 386.290 2.276 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415449226 532845844 /nfs/dbraw/zinc/84/58/44/532845844.db2.gz VNIZDHDKBKHAAG-BDAKNGLRSA-N 1 0 390.228 2.252 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)n1 ZINC000415444011 532845767 /nfs/dbraw/zinc/84/57/67/532845767.db2.gz DEMALVQPHYZKAE-CQSZACIVSA-N 1 0 376.507 2.395 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br)C1CC1 ZINC000415456895 532846219 /nfs/dbraw/zinc/84/62/19/532846219.db2.gz RMTSMFIDTUSMMJ-NSHDSACASA-N 1 0 394.191 2.260 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415464491 532846325 /nfs/dbraw/zinc/84/63/25/532846325.db2.gz MTSSYTJJNKRNMQ-UHFFFAOYSA-N 1 0 398.179 2.140 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000415454080 532846273 /nfs/dbraw/zinc/84/62/73/532846273.db2.gz ZRYFSPGMERBIKK-NWDGAFQWSA-N 1 0 398.301 2.372 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000415451904 532845969 /nfs/dbraw/zinc/84/59/69/532845969.db2.gz KUECZZQJRSBINC-IAQYHMDHSA-N 1 0 398.301 2.371 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000289065423 532846481 /nfs/dbraw/zinc/84/64/81/532846481.db2.gz MLWDNTQALLVPTP-YPMHNXCESA-N 1 0 383.290 2.238 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC[C@@H]1[NH3+] ZINC000415465576 532846562 /nfs/dbraw/zinc/84/65/62/532846562.db2.gz SBMIZPOYBUCWOF-GWCFXTLKSA-N 1 0 391.269 2.132 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415453833 532846609 /nfs/dbraw/zinc/84/66/09/532846609.db2.gz ZLGVZFUPASAAIQ-GFCCVEGCSA-N 1 0 379.258 2.035 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)ncc1Br ZINC000415462264 532846614 /nfs/dbraw/zinc/84/66/14/532846614.db2.gz GLWKMQSAEZPFIQ-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415483041 532846798 /nfs/dbraw/zinc/84/67/98/532846798.db2.gz GDNXIKHTXLHREU-GFCCVEGCSA-N 1 0 392.244 2.498 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000331953041 532846803 /nfs/dbraw/zinc/84/68/03/532846803.db2.gz OHADGRDFLGZFAE-VXGBXAGGSA-N 1 0 380.290 2.342 20 0 GEADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1Cc1cnc(Cl)s1 ZINC000274277064 532846835 /nfs/dbraw/zinc/84/68/35/532846835.db2.gz ALYMJHBTAWOXCB-KRWDZBQOSA-N 1 0 376.869 2.493 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC ZINC000415493081 532847391 /nfs/dbraw/zinc/84/73/91/532847391.db2.gz GCKWJAIHRGHNJS-SECBINFHSA-N 1 0 390.267 2.352 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000415492146 532847447 /nfs/dbraw/zinc/84/74/47/532847447.db2.gz KYXFWCBWPTWDET-CYBMUJFWSA-N 1 0 398.301 2.385 20 0 GEADRO CCCN(C(=O)C(=O)N1CCc2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000415495015 532847490 /nfs/dbraw/zinc/84/74/90/532847490.db2.gz DXCUGTWGLINQOH-UHFFFAOYSA-N 1 0 394.313 2.329 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415493837 532847544 /nfs/dbraw/zinc/84/75/44/532847544.db2.gz ZAQOQIKTRDXERR-HNNXBMFYSA-N 1 0 379.262 2.232 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415487743 532847564 /nfs/dbraw/zinc/84/75/64/532847564.db2.gz SBIIJYOALCHPSC-VXGBXAGGSA-N 1 0 379.262 2.421 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415494995 532847256 /nfs/dbraw/zinc/84/72/56/532847256.db2.gz DVZJVIWUXTXQCY-ZETCQYMHSA-N 1 0 388.266 2.836 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415495945 532847729 /nfs/dbraw/zinc/84/77/29/532847729.db2.gz GHYXOXXJFODNSE-ZETCQYMHSA-N 1 0 388.266 2.966 20 0 GEADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)N1CCC[NH2+]CC1 ZINC000415502837 532847978 /nfs/dbraw/zinc/84/79/78/532847978.db2.gz QTVBJDDNQWZONE-UHFFFAOYSA-N 1 0 382.287 2.795 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000415505482 532848242 /nfs/dbraw/zinc/84/82/42/532848242.db2.gz YYPHXKJAXZQZSE-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000415518136 532848302 /nfs/dbraw/zinc/84/83/02/532848302.db2.gz 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398.276 2.375 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415807569 532858407 /nfs/dbraw/zinc/85/84/07/532858407.db2.gz NCUCAAODIWHPEM-BQBZGAKWSA-N 1 0 382.180 2.258 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c(Br)c1 ZINC000415818544 532858570 /nfs/dbraw/zinc/85/85/70/532858570.db2.gz WLPKCCIDQXBYRC-QWRGUYRKSA-N 1 0 384.274 2.030 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000415821581 532858639 /nfs/dbraw/zinc/85/86/39/532858639.db2.gz NROAOXZPCIDHEE-LLVKDONJSA-N 1 0 386.279 2.146 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1nc2c(s1)CCCCCC2)C(F)(F)F ZINC000415830441 532859375 /nfs/dbraw/zinc/85/93/75/532859375.db2.gz GMKVQCPZICKIFG-NSHDSACASA-N 1 0 378.420 2.137 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415822525 532858969 /nfs/dbraw/zinc/85/89/69/532858969.db2.gz PZTZCEATZKPCMN-NEPJUHHUSA-N 1 0 398.276 2.375 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415817667 532858977 /nfs/dbraw/zinc/85/89/77/532858977.db2.gz YYVJAGHMAHFOAA-RNFRBKRXSA-N 1 0 398.179 2.138 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1Br ZINC000415829876 532859303 /nfs/dbraw/zinc/85/93/03/532859303.db2.gz FRWUHJNZIUFIMO-VIFPVBQESA-N 1 0 382.180 2.092 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415839260 532859930 /nfs/dbraw/zinc/85/99/30/532859930.db2.gz SCUIMRFFFGHLIK-ZDUSSCGKSA-N 1 0 398.301 2.006 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000415839083 532859872 /nfs/dbraw/zinc/85/98/72/532859872.db2.gz MDCJHIBCTBBQCI-CQSZACIVSA-N 1 0 384.274 2.030 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000415835744 532859892 /nfs/dbraw/zinc/85/98/92/532859892.db2.gz LURWYROHGNLZQY-JTQLQIEISA-N 1 0 382.180 2.092 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1F ZINC000415833426 532859484 /nfs/dbraw/zinc/85/94/84/532859484.db2.gz HXUVQYCJGBQMEC-CYBMUJFWSA-N 1 0 386.265 2.469 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc(C)c1Br ZINC000415848060 532860170 /nfs/dbraw/zinc/86/01/70/532860170.db2.gz LLVWCCNRRUITFG-GXFFZTMASA-N 1 0 382.302 2.448 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C[C@H]1C[NH3+] ZINC000415845498 532860256 /nfs/dbraw/zinc/86/02/56/532860256.db2.gz JYGRQJRZHYAXKN-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415854971 532860629 /nfs/dbraw/zinc/86/06/29/532860629.db2.gz NXTFGBKUXBQZIC-OLZOCXBDSA-N 1 0 380.286 2.236 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000415849477 532860707 /nfs/dbraw/zinc/86/07/07/532860707.db2.gz MVVRUOJPQAELGJ-YPMHNXCESA-N 1 0 382.302 2.448 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1Br ZINC000415850513 532860710 /nfs/dbraw/zinc/86/07/10/532860710.db2.gz NVMJSQRZJNKCLV-ONGXEEELSA-N 1 0 386.265 2.278 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415842294 532860371 /nfs/dbraw/zinc/86/03/71/532860371.db2.gz HMAPSTDTULSXAZ-ZYHUDNBSSA-N 1 0 398.301 2.148 20 0 GEADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415866743 532860982 /nfs/dbraw/zinc/86/09/82/532860982.db2.gz VWOQITVBJJYNAB-LBPRGKRZSA-N 1 0 385.917 2.355 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415864621 532861106 /nfs/dbraw/zinc/86/11/06/532861106.db2.gz AASPEONQMOEKPL-VHSXEESVSA-N 1 0 386.677 2.109 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cc(Cl)ccc1Br ZINC000415878451 532861492 /nfs/dbraw/zinc/86/14/92/532861492.db2.gz MTIGXMFKKADQAL-UHFFFAOYSA-N 1 0 386.677 2.467 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415878668 532861627 /nfs/dbraw/zinc/86/16/27/532861627.db2.gz NQHWRMRXILDQLR-QJPTWQEYSA-N 1 0 398.276 2.339 20 0 GEADRO Cn1c(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)nc2cc(Cl)ccc21 ZINC000275045076 532862295 /nfs/dbraw/zinc/86/22/95/532862295.db2.gz WQDBPJTVZSMXHG-KRWDZBQOSA-N 1 0 381.933 2.463 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)C(F)(F)F ZINC000416004878 532862496 /nfs/dbraw/zinc/86/24/96/532862496.db2.gz JALAXAMEMFGBMU-CMPLNLGQSA-N 1 0 378.782 2.024 20 0 GEADRO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000416044704 532863427 /nfs/dbraw/zinc/86/34/27/532863427.db2.gz MIYNHRVAQVQPAI-GXFFZTMASA-N 1 0 381.420 2.120 20 0 GEADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000275078801 532863850 /nfs/dbraw/zinc/86/38/50/532863850.db2.gz CQWVQBKBTQPUFB-VXGBXAGGSA-N 1 0 380.794 2.080 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)C(F)(F)F ZINC000416037490 532863511 /nfs/dbraw/zinc/86/35/11/532863511.db2.gz BOMLFVQWWYDLGB-FPMFFAJLSA-N 1 0 379.810 2.337 20 0 GEADRO [NH3+]Cc1cccnc1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000416032115 532863549 /nfs/dbraw/zinc/86/35/49/532863549.db2.gz PREVQAPCDMRZCB-UHFFFAOYSA-N 1 0 379.258 2.329 20 0 GEADRO Cc1nc(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)sc1Br ZINC000416037311 532863560 /nfs/dbraw/zinc/86/35/60/532863560.db2.gz BDEZEQKCLJHKRM-ZCFIWIBFSA-N 1 0 375.214 2.293 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccncn2)CC1 ZINC000275089753 532864136 /nfs/dbraw/zinc/86/41/36/532864136.db2.gz LATBVSBGAHVKEU-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO COC(=O)CCCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000275120725 532865522 /nfs/dbraw/zinc/86/55/22/532865522.db2.gz VGPXXDXIBXYLKL-UHFFFAOYSA-N 1 0 398.301 2.483 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000275133513 532865932 /nfs/dbraw/zinc/86/59/32/532865932.db2.gz PJGYPHYLYHKYMK-CQSZACIVSA-N 1 0 393.329 2.490 20 0 GEADRO COC[C@@]1(C[NH2+]Cc2c(Br)cnn2C)OCCc2ccccc21 ZINC000289870270 532866443 /nfs/dbraw/zinc/86/64/43/532866443.db2.gz OYLMHGXLQYXITB-QGZVFWFLSA-N 1 0 380.286 2.387 20 0 GEADRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000275138992 532866155 /nfs/dbraw/zinc/86/61/55/532866155.db2.gz UPKBEECOFAQELY-WCQYABFASA-N 1 0 395.219 2.483 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000333303503 532866307 /nfs/dbraw/zinc/86/63/07/532866307.db2.gz KOKRMEMPMPPPKY-VIFPVBQESA-N 1 0 382.287 2.793 20 0 GEADRO C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)C1CCS(=O)(=O)CC1 ZINC000275159526 532866838 /nfs/dbraw/zinc/86/68/38/532866838.db2.gz AHZKDRNOLJPKIT-JTQLQIEISA-N 1 0 376.404 2.051 20 0 GEADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289922815 532868289 /nfs/dbraw/zinc/86/82/89/532868289.db2.gz VGLDZIKLIXCNKM-RYUDHWBXSA-N 1 0 393.260 2.455 20 0 GEADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289922820 532868490 /nfs/dbraw/zinc/86/84/90/532868490.db2.gz VGLDZIKLIXCNKM-VXGBXAGGSA-N 1 0 393.260 2.455 20 0 GEADRO O=C(CSc1ccccc1Cl)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333475497 532869014 /nfs/dbraw/zinc/86/90/14/532869014.db2.gz GMBAJYRIAAFDIL-AWEZNQCLSA-N 1 0 381.929 2.245 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000289983389 532869487 /nfs/dbraw/zinc/86/94/87/532869487.db2.gz OEISEYQAPGVLNN-KBPBESRZSA-N 1 0 378.274 2.416 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000333484755 532869554 /nfs/dbraw/zinc/86/95/54/532869554.db2.gz YIRQBTPYEDCCFC-SLTAFYQDSA-N 1 0 386.480 2.120 20 0 GEADRO O=C(CSc1ccc(Cl)cc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333494209 532869581 /nfs/dbraw/zinc/86/95/81/532869581.db2.gz JJNOKHQAJOKPLX-OAHLLOKOSA-N 1 0 381.929 2.245 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCOc1cccc(Br)c1 ZINC000416289586 532869804 /nfs/dbraw/zinc/86/98/04/532869804.db2.gz FQTXXPOUGUOJRS-UONOGXRCSA-N 1 0 385.302 2.132 20 0 GEADRO CNC(=O)C1CCC([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290006710 532870157 /nfs/dbraw/zinc/87/01/57/532870157.db2.gz UFDUZJQRUOIAKL-UHFFFAOYSA-N 1 0 392.301 2.424 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCC(c2cccc(Br)c2)CC1 ZINC000333572253 532870775 /nfs/dbraw/zinc/87/07/75/532870775.db2.gz SDTIREAGLHXUAV-MRXNPFEDSA-N 1 0 382.302 2.327 20 0 GEADRO C[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c32)[C@@H](C)C[N@@H+]1CCO ZINC000416320015 532871282 /nfs/dbraw/zinc/87/12/82/532871282.db2.gz ZBKFRRMJQOLHLE-NEPJUHHUSA-N 1 0 380.286 2.458 20 0 GEADRO O=C(c1cc(Br)ccc1O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333562989 532870931 /nfs/dbraw/zinc/87/09/31/532870931.db2.gz LFRKPXHKNSWWTI-UHFFFAOYSA-N 1 0 391.269 2.432 20 0 GEADRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ncc(Br)cc1F ZINC000275315957 532872693 /nfs/dbraw/zinc/87/26/93/532872693.db2.gz KFMLRLDEYMQOKC-NSHDSACASA-N 1 0 387.297 2.186 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cc(Cl)ccc3F)CC2)C1 ZINC000333729751 532872553 /nfs/dbraw/zinc/87/25/53/532872553.db2.gz VXWCGUJHCXUMAD-DZGCQCFKSA-N 1 0 376.881 2.386 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)nc12 ZINC000333727561 532872606 /nfs/dbraw/zinc/87/26/06/532872606.db2.gz HGXDMDCPXKDGHJ-OLZOCXBDSA-N 1 0 392.301 2.156 20 0 GEADRO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(Br)c1 ZINC000333725760 532872621 /nfs/dbraw/zinc/87/26/21/532872621.db2.gz IYCOFZMKQSUATK-AWEZNQCLSA-N 1 0 394.313 2.184 20 0 GEADRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000290087567 532872281 /nfs/dbraw/zinc/87/22/81/532872281.db2.gz HEHAOZMKWLLJLC-QMTHXVAHSA-N 1 0 391.331 2.298 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)Nc2nnc3ccc(Br)cn32)CC1 ZINC000333750196 532873063 /nfs/dbraw/zinc/87/30/63/532873063.db2.gz ZIVAZLAEDOCCSU-UHFFFAOYSA-N 1 0 393.289 2.584 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000290105647 532872817 /nfs/dbraw/zinc/87/28/17/532872817.db2.gz QSTJOBXOJRPUND-LLVKDONJSA-N 1 0 385.306 2.328 20 0 GEADRO CC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C)CC1 ZINC000290124720 532872877 /nfs/dbraw/zinc/87/28/77/532872877.db2.gz FCWFVKJYZWJFMW-UHFFFAOYSA-N 1 0 380.290 2.299 20 0 GEADRO COc1cc(Br)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(OC)c1 ZINC000290135476 532873438 /nfs/dbraw/zinc/87/34/38/532873438.db2.gz NHSFFZRJPOFHIJ-LLVKDONJSA-N 1 0 392.315 2.381 20 0 GEADRO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333739131 532873142 /nfs/dbraw/zinc/87/31/42/532873142.db2.gz XIDSRCQICBUIDC-MNOVXSKESA-N 1 0 396.456 2.156 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CCO1 ZINC000333850660 532873854 /nfs/dbraw/zinc/87/38/54/532873854.db2.gz XENBUWIBAYTXOZ-AVGNSLFASA-N 1 0 386.265 2.203 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)nc12 ZINC000333842627 532874084 /nfs/dbraw/zinc/87/40/84/532874084.db2.gz VLQIJWGUSXRPRP-WFASDCNBSA-N 1 0 392.301 2.299 20 0 GEADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000290174320 532874345 /nfs/dbraw/zinc/87/43/45/532874345.db2.gz DWZWDOSKZUCOJG-BXUZGUMPSA-N 1 0 385.482 2.308 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)CCOCC2CCCC2)CC1 ZINC000416393848 532875725 /nfs/dbraw/zinc/87/57/25/532875725.db2.gz WCYVDVYOFMTKTO-UHFFFAOYSA-N 1 0 376.563 2.002 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000416404421 532876673 /nfs/dbraw/zinc/87/66/73/532876673.db2.gz ADRFUOYROGWLOD-VXGBXAGGSA-N 1 0 376.906 2.460 20 0 GEADRO Cc1cccc(Cl)c1S(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000416441748 532877723 /nfs/dbraw/zinc/87/77/23/532877723.db2.gz RQEDTELSBWSLQE-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)NCCc1ccc(I)s1 ZINC000417443339 532879953 /nfs/dbraw/zinc/87/99/53/532879953.db2.gz XXJBJVYYUYDMGU-UHFFFAOYSA-N 1 0 393.294 2.337 20 0 GEADRO C[C@H](NC(=O)NC1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000417182955 532878941 /nfs/dbraw/zinc/87/89/41/532878941.db2.gz RBXSAZMXQYENPN-JTQLQIEISA-N 1 0 384.274 2.333 20 0 GEADRO OCCN(Cc1noc(Cc2ccc(Br)cc2)n1)C1CCOCC1 ZINC000275575771 532879209 /nfs/dbraw/zinc/87/92/09/532879209.db2.gz PEKPDCBTZGLAAT-UHFFFAOYSA-N 1 0 396.285 2.396 20 0 GEADRO FC(F)(F)c1ccnc(NCC[NH2+]Cc2cnc(C3OCCO3)s2)n1 ZINC000290352989 532879222 /nfs/dbraw/zinc/87/92/22/532879222.db2.gz MCIHNJLQZLZCFR-UHFFFAOYSA-N 1 0 375.376 2.199 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418930806 532881625 /nfs/dbraw/zinc/88/16/25/532881625.db2.gz FCCWPTJHOAITCR-UHFFFAOYSA-N 1 0 396.329 2.103 20 0 GEADRO C[C@H](CNCc1nc2ccccn2c1Br)C[NH+]1CCN(C)CC1 ZINC000290478014 532881882 /nfs/dbraw/zinc/88/18/82/532881882.db2.gz VDORDDOGNZKZRG-CQSZACIVSA-N 1 0 380.334 2.070 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)C[C@@H](C)[NH2+]1 ZINC000419527998 532882407 /nfs/dbraw/zinc/88/24/07/532882407.db2.gz VOMXBSDUJWMKHR-CHWSQXEVSA-N 1 0 396.329 2.052 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000419722586 532882766 /nfs/dbraw/zinc/88/27/66/532882766.db2.gz DVXFNRHLYSGWSB-ZWKOPEQDSA-N 1 0 386.279 2.271 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1cc(Br)cs1)C1CCCCC1 ZINC000419722868 532882780 /nfs/dbraw/zinc/88/27/80/532882780.db2.gz NFRQMZJMSCVNEA-ZDUSSCGKSA-N 1 0 388.331 2.151 20 0 GEADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000275783757 532882974 /nfs/dbraw/zinc/88/29/74/532882974.db2.gz AWPLKGYYYFXTML-JTQLQIEISA-N 1 0 388.693 2.451 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419886635 532883193 /nfs/dbraw/zinc/88/31/93/532883193.db2.gz DJRHBGIAVHXGIS-LSDHHAIUSA-N 1 0 382.302 2.184 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419873981 532883215 /nfs/dbraw/zinc/88/32/15/532883215.db2.gz VMYCWPWIJWDPKC-INIZCTEOSA-N 1 0 396.329 2.287 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000420453666 532883661 /nfs/dbraw/zinc/88/36/61/532883661.db2.gz DCWQVYNGNDIPND-ZDUSSCGKSA-N 1 0 382.507 2.354 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000420458050 532883804 /nfs/dbraw/zinc/88/38/04/532883804.db2.gz IIYHGMJIERRARX-AWEZNQCLSA-N 1 0 377.869 2.104 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000418432007 532880769 /nfs/dbraw/zinc/88/07/69/532880769.db2.gz YGSFPHJEIUYEAX-GJZGRUSLSA-N 1 0 397.317 2.005 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000418420767 532880797 /nfs/dbraw/zinc/88/07/97/532880797.db2.gz AHOXEUFTALLSCL-WFASDCNBSA-N 1 0 397.317 2.005 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418440109 532881149 /nfs/dbraw/zinc/88/11/49/532881149.db2.gz KJDZRFWQXYFEOZ-GDBMZVCRSA-N 1 0 386.334 2.273 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000420451450 532883876 /nfs/dbraw/zinc/88/38/76/532883876.db2.gz QPGUPPDOANCXNH-CYBMUJFWSA-N 1 0 378.336 2.167 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420732269 532886221 /nfs/dbraw/zinc/88/62/21/532886221.db2.gz GPNXUTOVEXQMIK-DZGCQCFKSA-N 1 0 390.933 2.468 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000420897671 532887015 /nfs/dbraw/zinc/88/70/15/532887015.db2.gz YIKKKTVZHXTEDZ-NRXISQOPSA-N 1 0 397.317 2.148 20 0 GEADRO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000420934281 532887476 /nfs/dbraw/zinc/88/74/76/532887476.db2.gz GTVISBPFKLYBPL-VXGBXAGGSA-N 1 0 375.332 2.419 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000276042689 532887792 /nfs/dbraw/zinc/88/77/92/532887792.db2.gz SCYXXDKJVQENKK-ZDUSSCGKSA-N 1 0 382.302 2.415 20 0 GEADRO Brc1ccccc1-n1cc(C[NH+]2CCC3(CC2)OCCO3)nn1 ZINC000290585609 532884954 /nfs/dbraw/zinc/88/49/54/532884954.db2.gz ZXRCJFGEQKWKFZ-UHFFFAOYSA-N 1 0 379.258 2.369 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2N2CCOCC2)cc1Cl ZINC000360231818 532890034 /nfs/dbraw/zinc/89/00/34/532890034.db2.gz ZGLFEQOCMNMITI-CJNGLKHVSA-N 1 0 388.917 2.128 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000290735289 532888311 /nfs/dbraw/zinc/88/83/11/532888311.db2.gz ZAWAPITUJCPCTD-CYBMUJFWSA-N 1 0 382.555 2.226 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(Br)c1 ZINC000276112367 532889168 /nfs/dbraw/zinc/88/91/68/532889168.db2.gz OMGOKDHMMGDMNM-GFCCVEGCSA-N 1 0 380.286 2.463 20 0 GEADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000290913908 532892653 /nfs/dbraw/zinc/89/26/53/532892653.db2.gz AIBFTWBAXPCNBX-UHFFFAOYSA-N 1 0 386.461 2.234 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360971492 532891869 /nfs/dbraw/zinc/89/18/69/532891869.db2.gz BQMSINSXPFSXRS-SVGFKBNWSA-N 1 0 378.314 2.392 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000276169382 532890432 /nfs/dbraw/zinc/89/04/32/532890432.db2.gz FSUFTBKKAATOSP-UHFFFAOYSA-N 1 0 375.922 2.004 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000276177991 532890468 /nfs/dbraw/zinc/89/04/68/532890468.db2.gz SZMLYGJHGHOPON-NSHDSACASA-N 1 0 396.285 2.163 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C(C)C)C1 ZINC000423095764 532893475 /nfs/dbraw/zinc/89/34/75/532893475.db2.gz GAPJAODNQNMDRP-HNNXBMFYSA-N 1 0 382.302 2.006 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000423078154 532893585 /nfs/dbraw/zinc/89/35/85/532893585.db2.gz VGBVBIDKEAWIEF-HNNXBMFYSA-N 1 0 384.318 2.239 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC[NH2+]1 ZINC000423072977 532893749 /nfs/dbraw/zinc/89/37/49/532893749.db2.gz KEALXFDXHNGTRM-UHFFFAOYSA-N 1 0 394.313 2.151 20 0 GEADRO [NH3+][C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)c2ccccc21 ZINC000423098019 532893979 /nfs/dbraw/zinc/89/39/79/532893979.db2.gz JQDNBWVRKQVEKJ-HZPDHXFCSA-N 1 0 383.876 2.492 20 0 GEADRO COC[C@@]1(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)CC[NH2+]C1 ZINC000423105915 532893993 /nfs/dbraw/zinc/89/39/93/532893993.db2.gz NSCBNMQDAZVXGP-MRXNPFEDSA-N 1 0 381.889 2.184 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423106356 532894340 /nfs/dbraw/zinc/89/43/40/532894340.db2.gz RKIJMUYYMNYSDI-DZGCQCFKSA-N 1 0 396.329 2.241 20 0 GEADRO O=C(Cc1csc(-c2cccs2)n1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000361928664 532894504 /nfs/dbraw/zinc/89/45/04/532894504.db2.gz PPZJKKSOZUTYMH-GJZGRUSLSA-N 1 0 377.535 2.472 20 0 GEADRO C[NH2+]CCCN(C)C(=O)CCC(=O)c1ccc(I)cc1 ZINC000424036204 532894711 /nfs/dbraw/zinc/89/47/11/532894711.db2.gz UFEXRQGJQHIIKM-UHFFFAOYSA-N 1 0 388.249 2.322 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000423018720 532892957 /nfs/dbraw/zinc/89/29/57/532892957.db2.gz RYPJRBDKWBAHGB-AWEZNQCLSA-N 1 0 377.535 2.406 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000424052489 532895081 /nfs/dbraw/zinc/89/50/81/532895081.db2.gz MIFWISPLIQQJQI-VNHYZAJKSA-N 1 0 396.329 2.401 20 0 GEADRO COc1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)c(I)c1 ZINC000424053316 532895121 /nfs/dbraw/zinc/89/51/21/532895121.db2.gz OLFJVIGHDNIYTA-UHFFFAOYSA-N 1 0 386.233 2.268 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NC(C)(C)CC[NH3+])CC2=O)ccc1Br ZINC000424045273 532895297 /nfs/dbraw/zinc/89/52/97/532895297.db2.gz HUEYCSXLGRTTQC-LBPRGKRZSA-N 1 0 382.302 2.354 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(Br)n1 ZINC000362292438 532895707 /nfs/dbraw/zinc/89/57/07/532895707.db2.gz BDHCAPOAGCTHFL-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362398783 532896056 /nfs/dbraw/zinc/89/60/56/532896056.db2.gz ZFXVFYIVKNMLGX-STQMWFEESA-N 1 0 377.963 2.048 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C1 ZINC000276533841 532897556 /nfs/dbraw/zinc/89/75/56/532897556.db2.gz DGKPKJNLIAZWII-RYUDHWBXSA-N 1 0 385.295 2.097 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000291284818 532899440 /nfs/dbraw/zinc/89/94/40/532899440.db2.gz IZXPJCAJTSVSQV-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO O=C(CCOc1ccccc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363593103 532899745 /nfs/dbraw/zinc/89/97/45/532899745.db2.gz MJEFZAUJZOMFQY-KGLIPLIRSA-N 1 0 383.286 2.197 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000291317536 532900378 /nfs/dbraw/zinc/90/03/78/532900378.db2.gz MCJIERZMCSQMMM-UHFFFAOYSA-N 1 0 385.306 2.326 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000276758150 532900493 /nfs/dbraw/zinc/90/04/93/532900493.db2.gz QVZUKPUAAWSBOZ-UHFFFAOYSA-N 1 0 387.933 2.100 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000291242343 532898684 /nfs/dbraw/zinc/89/86/84/532898684.db2.gz FAHNFPGSCCNGRI-JTQLQIEISA-N 1 0 378.420 2.433 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(F)(F)F ZINC000276655868 532899029 /nfs/dbraw/zinc/89/90/29/532899029.db2.gz JDGGPBDDHJOMBQ-ZDUSSCGKSA-N 1 0 383.208 2.299 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000363848022 532901854 /nfs/dbraw/zinc/90/18/54/532901854.db2.gz XBFRYUGXQRNBPW-JZIBPQBNSA-N 1 0 379.298 2.311 20 0 GEADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCCCc1ccc(Cl)s1 ZINC000291471288 532902514 /nfs/dbraw/zinc/90/25/14/532902514.db2.gz DYANZUAMAHDEIQ-UHFFFAOYSA-N 1 0 376.935 2.365 20 0 GEADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)c1[nH]nc2c1C[NH2+]CC2 ZINC000364013906 532902528 /nfs/dbraw/zinc/90/25/28/532902528.db2.gz SMAOBWGTBHEFDT-GFCCVEGCSA-N 1 0 377.242 2.072 20 0 GEADRO CN(C)c1nc2sc(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)cc2s1 ZINC000363733907 532900566 /nfs/dbraw/zinc/90/05/66/532900566.db2.gz UNEKUGXUXFPINZ-LBPRGKRZSA-N 1 0 380.539 2.407 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291347311 532900662 /nfs/dbraw/zinc/90/06/62/532900662.db2.gz VXMYRUVBVWYGMR-PAPYEOQZSA-N 1 0 385.555 2.337 20 0 GEADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1CSCCS1 ZINC000364226926 532905264 /nfs/dbraw/zinc/90/52/64/532905264.db2.gz SRXWADVQECSGGR-SFHVURJKSA-N 1 0 385.643 2.490 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000276892217 532903263 /nfs/dbraw/zinc/90/32/63/532903263.db2.gz CCPXBCWNJUEKLD-UHFFFAOYSA-N 1 0 386.677 2.419 20 0 GEADRO COc1cc(Br)c(CN2CCC[N@H+](CC(C)(C)O)CC2)cc1O ZINC000364122076 532903819 /nfs/dbraw/zinc/90/38/19/532903819.db2.gz SGOSUWMBNFEHBR-UHFFFAOYSA-N 1 0 387.318 2.442 20 0 GEADRO C[N@H+](CCCOC(=O)NC(N)=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000364130794 532904102 /nfs/dbraw/zinc/90/41/02/532904102.db2.gz VHXPPDOJLYZSPI-LBPRGKRZSA-N 1 0 386.246 2.400 20 0 GEADRO O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc(CN2CCCC2)on1 ZINC000291602369 532904866 /nfs/dbraw/zinc/90/48/66/532904866.db2.gz CCWPGBOYMDTTBN-INIZCTEOSA-N 1 0 394.269 2.496 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000276985729 532905155 /nfs/dbraw/zinc/90/51/55/532905155.db2.gz VIRJRNGXGKQHNI-ZFWWWQNUSA-N 1 0 388.917 2.128 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000277054300 532906938 /nfs/dbraw/zinc/90/69/38/532906938.db2.gz GLSNFICFHOPYJN-LLVKDONJSA-N 1 0 386.265 2.469 20 0 GEADRO Cc1nc(NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)ccc1Br ZINC000364623142 532907450 /nfs/dbraw/zinc/90/74/50/532907450.db2.gz NJHGZICAKHNMLF-UHFFFAOYSA-N 1 0 385.306 2.463 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000291698439 532907488 /nfs/dbraw/zinc/90/74/88/532907488.db2.gz APNCELKEWDLCTR-GFCCVEGCSA-N 1 0 395.301 2.183 20 0 GEADRO 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C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1Cc2ccccc21 ZINC000736767923 598930833 /nfs/dbraw/zinc/93/08/33/598930833.db2.gz UMQZIRHUBZGFAS-IBGZPJMESA-N 1 0 376.464 2.097 20 0 GEADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(F)c1-c1nn[nH]n1 ZINC000738392334 598934491 /nfs/dbraw/zinc/93/44/91/598934491.db2.gz BBPGVMHIJJWFRF-WBVHZDCISA-N 1 0 382.443 2.301 20 0 GEADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737425865 598947577 /nfs/dbraw/zinc/94/75/77/598947577.db2.gz FMNFNOQJYLAUNK-FQEVSTJZSA-N 1 0 390.491 2.498 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736566142 598952177 /nfs/dbraw/zinc/95/21/77/598952177.db2.gz XFKFDZPJPWSSSY-YOEHRIQHSA-N 1 0 388.541 2.431 20 0 GEADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2NC1CC[NH+](Cc2ccncc2)CC1 ZINC000738438371 598960604 /nfs/dbraw/zinc/96/06/04/598960604.db2.gz ZOVDWUCRBXTURX-UHFFFAOYSA-N 1 0 387.451 2.281 20 0 GEADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000737127686 598961396 /nfs/dbraw/zinc/96/13/96/598961396.db2.gz RCZDPNVXHFRGJD-SCLBCKFNSA-N 1 0 378.436 2.331 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000737032478 598985012 /nfs/dbraw/zinc/98/50/12/598985012.db2.gz LFPRNTIAGUIHJZ-HNNXBMFYSA-N 1 0 395.467 2.083 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000737032523 598988181 /nfs/dbraw/zinc/98/81/81/598988181.db2.gz LSWYJLRVDSVMDR-SFHVURJKSA-N 1 0 395.463 2.236 20 0 GEADRO CCC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000736470435 598989221 /nfs/dbraw/zinc/98/92/21/598989221.db2.gz POTQQIONJNJKNC-JQHSSLGASA-N 1 0 384.484 2.331 20 0 GEADRO CCC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736470437 598989653 /nfs/dbraw/zinc/98/96/53/598989653.db2.gz POTQQIONJNJKNC-KBAYOESNSA-N 1 0 384.484 2.331 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000736565479 598991166 /nfs/dbraw/zinc/99/11/66/598991166.db2.gz KQXYAXWRWKLGIA-TZMCWYRMSA-N 1 0 391.907 2.263 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000736530899 598998762 /nfs/dbraw/zinc/99/87/62/598998762.db2.gz OPCWJMFTHAPQPE-UHFFFAOYSA-N 1 0 394.545 2.164 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000736456669 599001319 /nfs/dbraw/zinc/00/13/19/599001319.db2.gz GUMGVBPTAJTSFB-INIZCTEOSA-N 1 0 392.529 2.108 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C=Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000736615849 599017201 /nfs/dbraw/zinc/01/72/01/599017201.db2.gz OSIXFHMDUZVGEN-HRSJTUSDSA-N 1 0 398.511 2.133 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)nc2)[NH+]2CCCC2)cc1 ZINC000737318390 599027280 /nfs/dbraw/zinc/02/72/80/599027280.db2.gz AKGXXWRYXYPDRQ-GOSISDBHSA-N 1 0 377.452 2.137 20 0 GEADRO COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(-c4nn[nH]n4)nc3)CC[N@@H+]2C)cc1 ZINC000737075045 599028303 /nfs/dbraw/zinc/02/83/03/599028303.db2.gz IRNCZTQYNJISNY-QAPCUYQASA-N 1 0 394.435 2.120 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736860763 599033297 /nfs/dbraw/zinc/03/32/97/599033297.db2.gz VLKZEKWEQSDEJF-SFHVURJKSA-N 1 0 392.463 2.270 20 0 GEADRO C[C@@H]1C[NH+](CCCNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000736285171 599041022 /nfs/dbraw/zinc/04/10/22/599041022.db2.gz ISYQAAWYOTVWPP-GHMZBOCLSA-N 1 0 385.394 2.192 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000822195116 599051225 /nfs/dbraw/zinc/05/12/25/599051225.db2.gz HVNSUZADGWPAEP-INIZCTEOSA-N 1 0 393.495 2.190 20 0 GEADRO CCOCC[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@@H]1CC ZINC000736624482 599053989 /nfs/dbraw/zinc/05/39/89/599053989.db2.gz ZIGNIBXQVYUCEN-LBPRGKRZSA-N 1 0 399.421 2.218 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)[C@@H](C)C1 ZINC000736615054 599063181 /nfs/dbraw/zinc/06/31/81/599063181.db2.gz KJDRWULCSQDFPZ-WFASDCNBSA-N 1 0 379.896 2.464 20 0 GEADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000737740444 599066816 /nfs/dbraw/zinc/06/68/16/599066816.db2.gz MPZMFKFFYHJOAB-LJQANCHMSA-N 1 0 376.464 2.348 20 0 GEADRO C[C@@]1(c2ccccc2)CCC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736229157 599076343 /nfs/dbraw/zinc/07/63/43/599076343.db2.gz KZQDHQJITDIVGG-GHTZIAJQSA-N 1 0 376.464 2.447 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000738384177 599081745 /nfs/dbraw/zinc/08/17/45/599081745.db2.gz CZJJWQHZTGOXIZ-MJGOQNOKSA-N 1 0 397.504 2.397 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)nc2)[C@H]1c1cccs1 ZINC000736858572 599085371 /nfs/dbraw/zinc/08/53/71/599085371.db2.gz TUXGZUBKUWZMPY-WBMJQRKESA-N 1 0 383.481 2.136 20 0 GEADRO CC[NH+](CC)Cc1cccc(CN[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736530296 599090667 /nfs/dbraw/zinc/09/06/67/599090667.db2.gz HMGWKZAXAPUHOW-LJQANCHMSA-N 1 0 393.495 2.025 20 0 GEADRO CN(C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1)[C@H]1CCC[N@H+](C)C1 ZINC000736854700 599091404 /nfs/dbraw/zinc/09/14/04/599091404.db2.gz FIXKSTZOWCSSBO-AWEZNQCLSA-N 1 0 396.451 2.205 20 0 GEADRO NC(=O)[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730252 599098052 /nfs/dbraw/zinc/09/80/52/599098052.db2.gz INQURWDQZWJDFI-MRXNPFEDSA-N 1 0 382.855 2.368 20 0 GEADRO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CCOCC3)C2)c(-c2nn[nH]n2)c1C ZINC000737549471 599143447 /nfs/dbraw/zinc/14/34/47/599143447.db2.gz VQGCDEYOYNOUGB-ZDUSSCGKSA-N 1 0 388.472 2.296 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000737063786 599144939 /nfs/dbraw/zinc/14/49/39/599144939.db2.gz SWZJMVLBPAXNHD-UHFFFAOYSA-N 1 0 399.430 2.398 20 0 GEADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000820020096 599156674 /nfs/dbraw/zinc/15/66/74/599156674.db2.gz BBZKSRKVDLKSOS-YOEHRIQHSA-N 1 0 384.463 2.101 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)CSc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000736758947 599165051 /nfs/dbraw/zinc/16/50/51/599165051.db2.gz LBBRVYRRQYDEIC-HNNXBMFYSA-N 1 0 376.530 2.441 20 0 GEADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC000738381193 599177432 /nfs/dbraw/zinc/17/74/32/599177432.db2.gz JCCRECYOMJDKMC-JKSUJKDBSA-N 1 0 377.370 2.491 20 0 GEADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736351471 599181323 /nfs/dbraw/zinc/18/13/23/599181323.db2.gz GLHSPSAFEUHOPP-DZGCQCFKSA-N 1 0 386.891 2.369 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614667 599193305 /nfs/dbraw/zinc/19/33/05/599193305.db2.gz PXJBXOHFTOHHHP-LJQANCHMSA-N 1 0 376.464 2.142 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821088633 599207577 /nfs/dbraw/zinc/20/75/77/599207577.db2.gz QEQHAFPKHSYBHV-VQIMIIECSA-N 1 0 397.527 2.026 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000821161555 599214224 /nfs/dbraw/zinc/21/42/24/599214224.db2.gz ZQWOEHLAACGOGO-YJBOKZPZSA-N 1 0 386.500 2.070 20 0 GEADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821596472 599216166 /nfs/dbraw/zinc/21/61/66/599216166.db2.gz LDWYUGVJEDGZFP-QGZVFWFLSA-N 1 0 376.464 2.461 20 0 GEADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000738087780 599216366 /nfs/dbraw/zinc/21/63/66/599216366.db2.gz BDXYFYMBLZPUEX-IBGZPJMESA-N 1 0 392.463 2.026 20 0 GEADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000738088320 599217914 /nfs/dbraw/zinc/21/79/14/599217914.db2.gz JJRJALVAXIUDAY-UHFFFAOYSA-N 1 0 392.463 2.271 20 0 GEADRO C[C@H]1CCC[C@H](C)[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736254584 599251183 /nfs/dbraw/zinc/25/11/83/599251183.db2.gz ZTLYMUATQZWBII-GJZGRUSLSA-N 1 0 397.483 2.099 20 0 GEADRO C[NH+](C)CCOc1cccc(NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000821587409 599254731 /nfs/dbraw/zinc/25/47/31/599254731.db2.gz WESYLXXHLKKOQX-UHFFFAOYSA-N 1 0 399.430 2.268 20 0 GEADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821601648 607300957 /nfs/dbraw/zinc/30/09/57/607300957.db2.gz SBZQZMOZEOGYFX-UHFFFAOYSA-N 1 0 377.880 2.252 20 0 GEADRO c1ccc(-c2ccc(C[NH+]3CCN([C@H]4CCOC4)CC3)cc2)c(-c2nn[nH]n2)c1 ZINC000823766562 607313078 /nfs/dbraw/zinc/31/30/78/607313078.db2.gz FGHZXRDPYFGWQF-IBGZPJMESA-N 1 0 390.491 2.440 20 0 GEADRO CC(C)[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736135373 599286207 /nfs/dbraw/zinc/28/62/07/599286207.db2.gz XWJRLEMQWIWMDN-LBPRGKRZSA-N 1 0 391.907 2.310 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821623090 599289305 /nfs/dbraw/zinc/28/93/05/599289305.db2.gz CDPKOMIAHZEFFW-JTQLQIEISA-N 1 0 383.378 2.349 20 0 GEADRO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735827989 598232546 /nfs/dbraw/zinc/23/25/46/598232546.db2.gz WIJMOJFKOCXSOJ-FQEVSTJZSA-N 1 0 399.499 2.205 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[nH]n1 ZINC000736479429 598239888 /nfs/dbraw/zinc/23/98/88/598239888.db2.gz KEVKZPDKSONTDO-UHFFFAOYSA-N 1 0 391.545 2.079 20 0 GEADRO CC(C)CN(CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000735827568 598245053 /nfs/dbraw/zinc/24/50/53/598245053.db2.gz QODKYNSZEZYKPU-UHFFFAOYSA-N 1 0 397.527 2.072 20 0 GEADRO CC(=O)Nc1cccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000735488604 598249407 /nfs/dbraw/zinc/24/94/07/598249407.db2.gz KQZNVXIZEHBPHV-UHFFFAOYSA-N 1 0 395.442 2.286 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)Nc1ccccc1F ZINC000737842355 598253628 /nfs/dbraw/zinc/25/36/28/598253628.db2.gz ARYLTKQJQCPCMT-UHFFFAOYSA-N 1 0 395.442 2.157 20 0 GEADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000735635736 598257568 /nfs/dbraw/zinc/25/75/68/598257568.db2.gz HSJXBHSTXDWUJC-GFCCVEGCSA-N 1 0 376.436 2.352 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C[C@@H]1OCCc2ccccc21 ZINC000736792210 598258129 /nfs/dbraw/zinc/25/81/29/598258129.db2.gz LMHNYNNVXZPCPN-IBGZPJMESA-N 1 0 392.463 2.441 20 0 GEADRO 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ZINC000737045946 599322246 /nfs/dbraw/zinc/32/22/46/599322246.db2.gz VGYQXGTUTRNGJV-GOSISDBHSA-N 1 0 395.463 2.411 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821625117 599362690 /nfs/dbraw/zinc/36/26/90/599362690.db2.gz GDZXGAKYFNLVDQ-GFCCVEGCSA-N 1 0 398.920 2.015 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821625118 599363002 /nfs/dbraw/zinc/36/30/02/599363002.db2.gz GDZXGAKYFNLVDQ-LBPRGKRZSA-N 1 0 398.920 2.015 20 0 GEADRO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820432946 599371896 /nfs/dbraw/zinc/37/18/96/599371896.db2.gz UIGLKESYCGFXKH-HNNXBMFYSA-N 1 0 392.463 2.190 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820432947 599371997 /nfs/dbraw/zinc/37/19/97/599371997.db2.gz UIGLKESYCGFXKH-OAHLLOKOSA-N 1 0 392.463 2.190 20 0 GEADRO Cc1cccc(N2CCN(CCC[NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)c1 ZINC000822309378 599399415 /nfs/dbraw/zinc/39/94/15/599399415.db2.gz WLGQOBJSBQZPQJ-UHFFFAOYSA-N 1 0 381.484 2.070 20 0 GEADRO COc1ccc(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)cc1-c1nn[nH]n1 ZINC000821818474 599404197 /nfs/dbraw/zinc/40/41/97/599404197.db2.gz RYPBQYBQFQSDHD-UHFFFAOYSA-N 1 0 392.463 2.288 20 0 GEADRO COc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821805322 599406458 /nfs/dbraw/zinc/40/64/58/599406458.db2.gz TYOSTAFMNQMDIV-SFHVURJKSA-N 1 0 392.463 2.329 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3C)nc2)cc1-c1nn[nH]n1 ZINC000821818663 599409387 /nfs/dbraw/zinc/40/93/87/599409387.db2.gz XACXAYUJIWUQIE-UHFFFAOYSA-N 1 0 376.424 2.054 20 0 GEADRO COC(=O)C1CC[NH+](CCCNc2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000736911903 599409496 /nfs/dbraw/zinc/40/94/96/599409496.db2.gz JDLWAWXGQOZARO-UHFFFAOYSA-N 1 0 395.467 2.102 20 0 GEADRO CC[NH+]1CCC(n2nccc2NCc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000821253859 599425417 /nfs/dbraw/zinc/42/54/17/599425417.db2.gz IKVBWTIYPUDSFP-UHFFFAOYSA-N 1 0 382.472 2.341 20 0 GEADRO COc1ccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)cc1-c1nn[nH]n1 ZINC000821808825 599425745 /nfs/dbraw/zinc/42/57/45/599425745.db2.gz KHANGEOHBBTAGG-QGZVFWFLSA-N 1 0 393.369 2.415 20 0 GEADRO COc1cc[nH+]c(N2CCN(c3cc(-c4nn[nH]n4)c4ccccc4n3)CC2)c1 ZINC000737160262 599429579 /nfs/dbraw/zinc/42/95/79/599429579.db2.gz XMUAYJQDBYCTHK-UHFFFAOYSA-N 1 0 388.435 2.145 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736860352 599433623 /nfs/dbraw/zinc/43/36/23/599433623.db2.gz NOYUGAPAWAOABT-OAHLLOKOSA-N 1 0 375.908 2.126 20 0 GEADRO C[C@@H]([NH2+]C1(CNCc2ccc(-c3nn[nH]n3)o2)CCOCC1)c1ccccc1 ZINC000820412951 599443994 /nfs/dbraw/zinc/44/39/94/599443994.db2.gz NQAGPQFMBMEGKW-OAHLLOKOSA-N 1 0 382.468 2.449 20 0 GEADRO COc1cc2c(cc1C[NH2+]CCOc1ccc(-c3nn[nH]n3)cc1)O[C@H](C)C2 ZINC000821728631 599450580 /nfs/dbraw/zinc/45/05/80/599450580.db2.gz XSIRQSPBWUVUDF-CYBMUJFWSA-N 1 0 381.436 2.367 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1Cl ZINC000736135332 599451587 /nfs/dbraw/zinc/45/15/87/599451587.db2.gz PKACPRQROZRWID-VHSXEESVSA-N 1 0 376.827 2.248 20 0 GEADRO COC(=O)COc1c(C)cc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1C ZINC000821662930 599458326 /nfs/dbraw/zinc/45/83/26/599458326.db2.gz ZSBOAIZINCVJHA-UHFFFAOYSA-N 1 0 399.426 2.464 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1 ZINC000821579677 599463590 /nfs/dbraw/zinc/46/35/90/599463590.db2.gz KKSATWPKJPSNRF-QGZVFWFLSA-N 1 0 383.431 2.108 20 0 GEADRO COc1ccc(OCC[NH+]2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000821842165 599465738 /nfs/dbraw/zinc/46/57/38/599465738.db2.gz PRSZKBCEYISEGB-UHFFFAOYSA-N 1 0 398.442 2.215 20 0 GEADRO c1coc([C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N2CCCC2)c1 ZINC000738447926 599484534 /nfs/dbraw/zinc/48/45/34/599484534.db2.gz LPNPMOHHMKYJJF-MRXNPFEDSA-N 1 0 378.440 2.034 20 0 GEADRO c1cn(Cc2cccc(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)c2)cn1 ZINC000738413214 599485920 /nfs/dbraw/zinc/48/59/20/599485920.db2.gz NYKGNRXUZNVXMT-UHFFFAOYSA-N 1 0 385.435 2.049 20 0 GEADRO C[C@@H]1CC[C@H](CCC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)O1 ZINC000820684064 599493861 /nfs/dbraw/zinc/49/38/61/599493861.db2.gz LRDXSAYOIJBOFR-CRAIPNDOSA-N 1 0 386.500 2.105 20 0 GEADRO CC1(C)COCC[N@@H+]1CCNc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21 ZINC000820606746 599523579 /nfs/dbraw/zinc/52/35/79/599523579.db2.gz BSYBHNMAIHIOIV-UHFFFAOYSA-N 1 0 387.875 2.013 20 0 GEADRO C[C@H]([C@H](C)Nc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)[NH+]1CCOCC1 ZINC000820452139 599527929 /nfs/dbraw/zinc/52/79/29/599527929.db2.gz ZZSZAVUNPOLYDH-NWDGAFQWSA-N 1 0 387.875 2.011 20 0 GEADRO C[C@H]1CN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820776707 599531190 /nfs/dbraw/zinc/53/11/90/599531190.db2.gz MWRXWDLLCUMFFY-BBRMVZONSA-N 1 0 399.886 2.159 20 0 GEADRO CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)C[C@H]1CC ZINC000821378405 599533733 /nfs/dbraw/zinc/53/37/33/599533733.db2.gz NJQMDHFXYJSDNM-OAHLLOKOSA-N 1 0 381.484 2.352 20 0 GEADRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820323689 599535784 /nfs/dbraw/zinc/53/57/84/599535784.db2.gz YTCSACNTONPKSM-BEFAXECRSA-N 1 0 391.479 2.351 20 0 GEADRO CCCn1cc(C[N@@H+]2CCCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cn1 ZINC000821147914 599536515 /nfs/dbraw/zinc/53/65/15/599536515.db2.gz LAZZLVILIHSUPB-UHFFFAOYSA-N 1 0 384.463 2.325 20 0 GEADRO C[NH+](C)Cc1ccc(N2CCN(c3ccc(Cl)cc3-c3nn[nH]n3)CC2)nc1 ZINC000821588486 599537400 /nfs/dbraw/zinc/53/74/00/599537400.db2.gz VMZZOVFKEAYPLU-UHFFFAOYSA-N 1 0 398.902 2.303 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000736224828 599554532 /nfs/dbraw/zinc/55/45/32/599554532.db2.gz BDYHUOLLCRBYQW-QAPCUYQASA-N 1 0 391.479 2.387 20 0 GEADRO c1cc(-c2nnc(CN3CCC[C@H]([NH+]4CCCC4)CC3)o2)ccc1-c1nn[nH]n1 ZINC000823737932 599576730 /nfs/dbraw/zinc/57/67/30/599576730.db2.gz LMJKEIJGWMMVFP-KRWDZBQOSA-N 1 0 394.483 2.367 20 0 GEADRO c1cnn(C[C@H]2CCC[N@@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)c1 ZINC000738449784 599580164 /nfs/dbraw/zinc/58/01/64/599580164.db2.gz VYAASOOBWLHNAD-QGZVFWFLSA-N 1 0 375.440 2.049 20 0 GEADRO c1cc(-c2nnc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737687 599581684 /nfs/dbraw/zinc/58/16/84/599581684.db2.gz IJUHCIWQEZONLO-HNNXBMFYSA-N 1 0 394.483 2.225 20 0 GEADRO O=C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737875025 599585849 /nfs/dbraw/zinc/58/58/49/599585849.db2.gz HNLBMKJJEKXYGT-KRWDZBQOSA-N 1 0 397.527 2.393 20 0 GEADRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736612846 599586683 /nfs/dbraw/zinc/58/66/83/599586683.db2.gz QWVDDAKGPRLASN-CYBMUJFWSA-N 1 0 378.864 2.350 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000735562087 599587742 /nfs/dbraw/zinc/58/77/42/599587742.db2.gz NLDCCXQFJYTUEK-HOTGVXAUSA-N 1 0 383.500 2.144 20 0 GEADRO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736799193 599591894 /nfs/dbraw/zinc/59/18/94/599591894.db2.gz PAJKLLWLCOXSKP-UHFFFAOYSA-N 1 0 377.496 2.121 20 0 GEADRO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736798785 599592759 /nfs/dbraw/zinc/59/27/59/599592759.db2.gz GINBYGOIQKTSNF-UHFFFAOYSA-N 1 0 377.496 2.121 20 0 GEADRO COC(=O)Nc1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000736940493 599598960 /nfs/dbraw/zinc/59/89/60/599598960.db2.gz QXHDUFUBOJAMOF-UHFFFAOYSA-N 1 0 392.423 2.025 20 0 GEADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCCCCCCO)CC1 ZINC000823359833 599637008 /nfs/dbraw/zinc/63/70/08/599637008.db2.gz SZMIFNGPDVZLSE-UHFFFAOYSA-N 1 0 386.500 2.460 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1C ZINC000821253121 599639383 /nfs/dbraw/zinc/63/93/83/599639383.db2.gz CTXBLRSLFDBHPF-XJKSGUPXSA-N 1 0 382.472 2.221 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000819876384 599641175 /nfs/dbraw/zinc/64/11/75/599641175.db2.gz GPXKCSOEPDLWCV-CVEARBPZSA-N 1 0 383.500 2.002 20 0 GEADRO C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H](CCO)c1ccccc1 ZINC000821598067 599642861 /nfs/dbraw/zinc/64/28/61/599642861.db2.gz PWFWOOZTTPOVIF-SFHVURJKSA-N 1 0 380.452 2.251 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821181797 599644540 /nfs/dbraw/zinc/64/45/40/599644540.db2.gz PGSNJUGEZPJCIX-TZMCWYRMSA-N 1 0 391.907 2.263 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1-c1nn[nH]n1 ZINC000821989873 599654023 /nfs/dbraw/zinc/65/40/23/599654023.db2.gz MQRFESXFNKWRSX-OLZOCXBDSA-N 1 0 399.524 2.170 20 0 GEADRO CCC[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000821109254 599677102 /nfs/dbraw/zinc/67/71/02/599677102.db2.gz DVAPGQQPYSOLKH-UHFFFAOYSA-N 1 0 383.500 2.415 20 0 GEADRO C[NH+]1CCC(C(=O)Nc2ncc(Cc3ccc(-c4nn[nH]n4)cc3)s2)CC1 ZINC000821622038 599697129 /nfs/dbraw/zinc/69/71/29/599697129.db2.gz PRQYQEAWBLBZIZ-UHFFFAOYSA-N 1 0 383.481 2.194 20 0 GEADRO CNC(=O)[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C(C)C 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CC(C)OCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000820146890 606037163 /nfs/dbraw/zinc/03/71/63/606037163.db2.gz TZTVTRYDMNKQSU-UHFFFAOYSA-N 1 0 384.406 2.433 20 0 GEADRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc(-c4nn[nH]n4)nc3)cc2)C[C@@H](C)O1 ZINC000820758665 606037529 /nfs/dbraw/zinc/03/75/29/606037529.db2.gz BALIVQKKDHQQLU-HUUCEWRRSA-N 1 0 379.468 2.483 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821087453 606089545 /nfs/dbraw/zinc/08/95/45/606089545.db2.gz BHVMHTOHAHQNPZ-CYBMUJFWSA-N 1 0 391.907 2.122 20 0 GEADRO O[C@H](C[NH2+]C1(c2nccs2)CCCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823683128 606094568 /nfs/dbraw/zinc/09/45/68/606094568.db2.gz YVOUNNDQOXKHPV-CQSZACIVSA-N 1 0 386.481 2.122 20 0 GEADRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820643738 606112063 /nfs/dbraw/zinc/11/20/63/606112063.db2.gz YJXGUGSPNWSOLN-OXJNMPFZSA-N 1 0 390.491 2.436 20 0 GEADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 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PBKSQEXLTXRCPA-UHFFFAOYSA-N 1 0 398.467 2.453 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CCC(OCC[NH+](C)C)CC1 ZINC000822331997 606163585 /nfs/dbraw/zinc/16/35/85/606163585.db2.gz KKJQNJKCIBKODG-UHFFFAOYSA-N 1 0 381.484 2.270 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000820658726 606187747 /nfs/dbraw/zinc/18/77/47/606187747.db2.gz UPTINVGCBYSOFZ-PBHICJAKSA-N 1 0 377.452 2.045 20 0 GEADRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820678781 606189014 /nfs/dbraw/zinc/18/90/14/606189014.db2.gz YJMOIHIIHKGLMU-KMFMINBZSA-N 1 0 375.498 2.293 20 0 GEADRO O=C(c1ccccc1F)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000823493969 606210320 /nfs/dbraw/zinc/21/03/20/606210320.db2.gz YCYMNLVYNDVNIY-UHFFFAOYSA-N 1 0 386.456 2.462 20 0 GEADRO c1sc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1-c1nn[nH]n1 ZINC000823820514 606214897 /nfs/dbraw/zinc/21/48/97/606214897.db2.gz GJAPDFGPRHSTSH-UHFFFAOYSA-N 1 0 399.476 2.495 20 0 GEADRO Cc1ccc([C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)N2CCOCC2)s1 ZINC000822230705 606216971 /nfs/dbraw/zinc/21/69/71/606216971.db2.gz NXFYWTKMABQYII-HNNXBMFYSA-N 1 0 390.538 2.461 20 0 GEADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000822632495 606252026 /nfs/dbraw/zinc/25/20/26/606252026.db2.gz WVFFCJXMOFGVTH-AYHJJNSGSA-N 1 0 391.479 2.131 20 0 GEADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)cc2)CC1 ZINC000820722082 606252121 /nfs/dbraw/zinc/25/21/21/606252121.db2.gz FQODHCYMVNDCPQ-UHFFFAOYSA-N 1 0 379.468 2.357 20 0 GEADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC000821614518 606268293 /nfs/dbraw/zinc/26/82/93/606268293.db2.gz JKGGQXUJKKJLFP-UHFFFAOYSA-N 1 0 379.468 2.179 20 0 GEADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc(-c3nn[nH]n3)cn2C)C1 ZINC000820710901 606280333 /nfs/dbraw/zinc/28/03/33/606280333.db2.gz SHYACDWYROGQEG-HNNXBMFYSA-N 1 0 393.495 2.367 20 0 GEADRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821858312 606302109 /nfs/dbraw/zinc/30/21/09/606302109.db2.gz FDPFGQSGEORALI-ABAIWWIYSA-N 1 0 384.465 2.393 20 0 GEADRO O=S(=O)(CC[NH2+]CCCCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823563018 606308795 /nfs/dbraw/zinc/30/87/95/606308795.db2.gz YXNHMJFCNFJTCK-UHFFFAOYSA-N 1 0 385.493 2.253 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000821001312 606334150 /nfs/dbraw/zinc/33/41/50/606334150.db2.gz PYRWTVWXJPUZJX-KBPBESRZSA-N 1 0 389.529 2.206 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000821000352 606393443 /nfs/dbraw/zinc/39/34/43/606393443.db2.gz DGQVSGKCJKLGAB-HZPDHXFCSA-N 1 0 387.463 2.164 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821000883 606393490 /nfs/dbraw/zinc/39/34/90/606393490.db2.gz KVZKIWFDIMPOCQ-JKSUJKDBSA-N 1 0 387.463 2.164 20 0 GEADRO Fc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)N2CCOCC2)cc1 ZINC000822766884 606406219 /nfs/dbraw/zinc/40/62/19/606406219.db2.gz PJNRYAHSEIMNFV-INIZCTEOSA-N 1 0 388.472 2.230 20 0 GEADRO Cc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)N2CCOCC2)s1 ZINC000822230388 606418172 /nfs/dbraw/zinc/41/81/72/606418172.db2.gz FELFYKDNBAAOJB-AWEZNQCLSA-N 1 0 390.538 2.461 20 0 GEADRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000819933495 606428572 /nfs/dbraw/zinc/42/85/72/606428572.db2.gz UBRWUUBAGVAOOC-UHFFFAOYSA-N 1 0 376.436 2.495 20 0 GEADRO CCC[C@H]1C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821033676 606442092 /nfs/dbraw/zinc/44/20/92/606442092.db2.gz DITKCGNSLJZUEN-ZWKOTPCHSA-N 1 0 383.500 2.273 20 0 GEADRO O[C@@H](CNc1ccc(-c2nn[nH]n2)c(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000823689488 606451398 /nfs/dbraw/zinc/45/13/98/606451398.db2.gz GINYVGAGBAOPGO-INIZCTEOSA-N 1 0 384.871 2.351 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000821701666 606452336 /nfs/dbraw/zinc/45/23/36/606452336.db2.gz YAYSYRRTUZSQEW-APWZRJJASA-N 1 0 375.473 2.390 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823170767 606511291 /nfs/dbraw/zinc/51/12/91/606511291.db2.gz HWSZOKNMKHKOGP-UHFFFAOYSA-N 1 0 392.554 2.410 20 0 GEADRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000821625127 606513920 /nfs/dbraw/zinc/51/39/20/606513920.db2.gz GHZOFPVUXBXCKZ-UHFFFAOYSA-N 1 0 391.479 2.190 20 0 GEADRO COC[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000821684806 606520775 /nfs/dbraw/zinc/52/07/75/606520775.db2.gz LDQHWNXCASEKOM-GFCCVEGCSA-N 1 0 390.513 2.246 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000821180683 606524840 /nfs/dbraw/zinc/52/48/40/606524840.db2.gz FVBSXQNGJCLYHT-FQEVSTJZSA-N 1 0 392.507 2.479 20 0 GEADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821584897 606538335 /nfs/dbraw/zinc/53/83/35/606538335.db2.gz XEEOIDDPHPZALZ-UHFFFAOYSA-N 1 0 385.453 2.071 20 0 GEADRO COc1cccc(C[NH+]2CCC(NC(=O)c3cc(-c4nn[nH]n4)cs3)CC2)c1 ZINC000821868624 606538491 /nfs/dbraw/zinc/53/84/91/606538491.db2.gz STBFXCPYTDUHAM-UHFFFAOYSA-N 1 0 398.492 2.331 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820758620 606583524 /nfs/dbraw/zinc/58/35/24/606583524.db2.gz AKZWPGNTVZQCAT-JXFKEZNVSA-N 1 0 390.491 2.436 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821581400 606585013 /nfs/dbraw/zinc/58/50/13/606585013.db2.gz KGLBGKWULZTRBV-DLBZAZTESA-N 1 0 386.500 2.405 20 0 GEADRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)C1CC1 ZINC000821638592 606599139 /nfs/dbraw/zinc/59/91/39/606599139.db2.gz CKTVOCNKROAYNZ-JTQLQIEISA-N 1 0 381.383 2.242 20 0 GEADRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1(C)C ZINC000821679225 606601151 /nfs/dbraw/zinc/60/11/51/606601151.db2.gz YRPMRSBVQSYFFI-CUOATXAZSA-N 1 0 378.864 2.250 20 0 GEADRO C[N@@H+](CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C[C@H]1CCOC1 ZINC000821593706 606621752 /nfs/dbraw/zinc/62/17/52/606621752.db2.gz GLMHNLWFQPLVFR-GFCCVEGCSA-N 1 0 390.513 2.104 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C[N@@H+]1C1CC1 ZINC000820659162 606624932 /nfs/dbraw/zinc/62/49/32/606624932.db2.gz WXMRVNBMJRHGBA-GOEBONIOSA-N 1 0 384.484 2.157 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820648480 606672367 /nfs/dbraw/zinc/67/23/67/606672367.db2.gz AJRNEMCEFSPZBY-UTUOFQBUSA-N 1 0 378.427 2.241 20 0 GEADRO CC1CCC([NH+]2CCN(C(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)CC2)CC1 ZINC000820690809 606679694 /nfs/dbraw/zinc/67/96/94/606679694.db2.gz RWMAMNIBUSJXKE-UHFFFAOYSA-N 1 0 390.438 2.481 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821241162 606697347 /nfs/dbraw/zinc/69/73/47/606697347.db2.gz KJPGDLPMOICQLJ-NOZJJQNGSA-N 1 0 383.378 2.347 20 0 GEADRO CCC1(CC)CC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820956588 606705130 /nfs/dbraw/zinc/70/51/30/606705130.db2.gz JGSKVVGNXFXRHX-UHFFFAOYSA-N 1 0 397.483 2.101 20 0 GEADRO C[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820636357 606718031 /nfs/dbraw/zinc/71/80/31/606718031.db2.gz RPBULRWKJSZYKZ-GHTZIAJQSA-N 1 0 379.464 2.270 20 0 GEADRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000821658822 606721735 /nfs/dbraw/zinc/72/17/35/606721735.db2.gz JVGMVTAPGUTJOA-UHFFFAOYSA-N 1 0 386.456 2.051 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(N2CCCC2)c1 ZINC000820418425 606732936 /nfs/dbraw/zinc/73/29/36/606732936.db2.gz AOWWNCPHNCWOJU-CABCVRRESA-N 1 0 393.499 2.056 20 0 GEADRO CCCc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000821138617 606779032 /nfs/dbraw/zinc/77/90/32/606779032.db2.gz CXABHWNEJDOEBW-HNNXBMFYSA-N 1 0 378.484 2.320 20 0 GEADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCCOc1ccccc1 ZINC000820788506 606782103 /nfs/dbraw/zinc/78/21/03/606782103.db2.gz IQKZIKXPGALSEL-MRXNPFEDSA-N 1 0 394.483 2.026 20 0 GEADRO CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821571008 606812324 /nfs/dbraw/zinc/81/23/24/606812324.db2.gz VRWHSXIFWYFDJC-IBGZPJMESA-N 1 0 376.464 2.142 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000821407042 606834558 /nfs/dbraw/zinc/83/45/58/606834558.db2.gz NUXNIHCMODTANJ-CJNGLKHVSA-N 1 0 387.488 2.459 20 0 GEADRO O=C(CC[NH+]1CC(c2nc3ccccc3[nH]2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964880 606846729 /nfs/dbraw/zinc/84/67/29/606846729.db2.gz RUDNCVCFAJKUIL-UHFFFAOYSA-N 1 0 388.435 2.171 20 0 GEADRO O[C@H](C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681732 606851446 /nfs/dbraw/zinc/85/14/46/606851446.db2.gz JODGFKFCOZFGKN-HXUWFJFHSA-N 1 0 396.470 2.247 20 0 GEADRO CCN(CC)C(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821175737 606852722 /nfs/dbraw/zinc/85/27/22/606852722.db2.gz URDWMDRPXPJGFC-LJQANCHMSA-N 1 0 394.479 2.172 20 0 GEADRO CCCCNC(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821072581 606853726 /nfs/dbraw/zinc/85/37/26/606853726.db2.gz UFCNCIMMTNIEBS-LJQANCHMSA-N 1 0 394.479 2.220 20 0 GEADRO O[C@@H](C[NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683314 606857269 /nfs/dbraw/zinc/85/72/69/606857269.db2.gz ZSAXTTOAODTOAI-FQEVSTJZSA-N 1 0 396.470 2.293 20 0 GEADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820011660 606890678 /nfs/dbraw/zinc/89/06/78/606890678.db2.gz NTWBTTNMNAEWRW-MRXNPFEDSA-N 1 0 386.500 2.120 20 0 GEADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820011658 606891244 /nfs/dbraw/zinc/89/12/44/606891244.db2.gz NTWBTTNMNAEWRW-INIZCTEOSA-N 1 0 386.500 2.120 20 0 GEADRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821007721 606891982 /nfs/dbraw/zinc/89/19/82/606891982.db2.gz CVIKNMYFGCSZSM-INIZCTEOSA-N 1 0 386.500 2.264 20 0 GEADRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222668 606892828 /nfs/dbraw/zinc/89/28/28/606892828.db2.gz WQIQIKVEMAFVJB-LJQANCHMSA-N 1 0 394.479 2.124 20 0 GEADRO Cc1nc(C)n([C@H]2CCC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822432117 606895532 /nfs/dbraw/zinc/89/55/32/606895532.db2.gz XQSASEFANRMQNC-KRWDZBQOSA-N 1 0 382.472 2.181 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)COc2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820658592 606904151 /nfs/dbraw/zinc/90/41/51/606904151.db2.gz UCIORJOLYFPBNY-QAPCUYQASA-N 1 0 392.463 2.025 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614483 606909632 /nfs/dbraw/zinc/90/96/32/606909632.db2.gz IGMOHXQXKLHQHR-PMACEKPBSA-N 1 0 378.480 2.106 20 0 GEADRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820299789 606913502 /nfs/dbraw/zinc/91/35/02/606913502.db2.gz KKVFUCPOHQQQBG-AWEZNQCLSA-N 1 0 380.452 2.464 20 0 GEADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc(-c2nn[nH]n2)cs1 ZINC000823363488 606917658 /nfs/dbraw/zinc/91/76/58/606917658.db2.gz FYHVVGPWSVDIOT-UHFFFAOYSA-N 1 0 398.492 2.385 20 0 GEADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823363903 606917898 /nfs/dbraw/zinc/91/78/98/606917898.db2.gz RARIWFMWCOUVJK-UHFFFAOYSA-N 1 0 398.492 2.385 20 0 GEADRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)C12CCC2 ZINC000821358015 606935085 /nfs/dbraw/zinc/93/50/85/606935085.db2.gz GRWHGFDPZTZWSP-SJORKVTESA-N 1 0 384.484 2.475 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3-c3nn[nH]n3)CC2)C1 ZINC000821624054 606936059 /nfs/dbraw/zinc/93/60/59/606936059.db2.gz YJTBYPBPDGTTTK-CQSZACIVSA-N 1 0 395.433 2.102 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000820902841 606954293 /nfs/dbraw/zinc/95/42/93/606954293.db2.gz OQDSHTQJZHIGSY-LBPRGKRZSA-N 1 0 395.414 2.464 20 0 GEADRO Fc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1-c1nn[nH]n1 ZINC000822765938 606962257 /nfs/dbraw/zinc/96/22/57/606962257.db2.gz BSWPCHVVUVOTCU-UHFFFAOYSA-N 1 0 378.415 2.428 20 0 GEADRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)C1 ZINC000820704258 606963343 /nfs/dbraw/zinc/96/33/43/606963343.db2.gz NEWPXYYLIQDTMD-AWEZNQCLSA-N 1 0 386.475 2.476 20 0 GEADRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000823372469 606965167 /nfs/dbraw/zinc/96/51/67/606965167.db2.gz FSIACXVPIUVGQQ-CQSZACIVSA-N 1 0 381.415 2.252 20 0 GEADRO CC[C@@]1(C)CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000820950997 606980374 /nfs/dbraw/zinc/98/03/74/606980374.db2.gz ULGABQHGCDVJLE-IBGZPJMESA-N 1 0 380.456 2.113 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821441786 606996861 /nfs/dbraw/zinc/99/68/61/606996861.db2.gz OMOAVYHBJQXRTF-ZDUSSCGKSA-N 1 0 386.481 2.479 20 0 GEADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000823459513 607010190 /nfs/dbraw/zinc/01/01/90/607010190.db2.gz AETKIMDXRQIRRR-QFBILLFUSA-N 1 0 391.479 2.322 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821637862 607014431 /nfs/dbraw/zinc/01/44/31/607014431.db2.gz WUCIEIGCDLNIJL-CHWSQXEVSA-N 1 0 386.481 2.187 20 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O=C(CCN1CC[NH+](C2CCCCC2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000822969302 607107818 /nfs/dbraw/zinc/10/78/18/607107818.db2.gz LOJDMYXTOLXEPN-UHFFFAOYSA-N 1 0 383.500 2.146 20 0 GEADRO CCc1nnc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(-c2nn[nH]n2)c1CC ZINC000821535351 607113089 /nfs/dbraw/zinc/11/30/89/607113089.db2.gz IDCSFWUKXQZVKZ-OKILXGFUSA-N 1 0 388.520 2.083 20 0 GEADRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2snc(Cl)c2-c2nn[nH]n2)CC1 ZINC000823707212 607129360 /nfs/dbraw/zinc/12/93/60/607129360.db2.gz XHNGJXJEANHUKD-GHMZBOCLSA-N 1 0 383.909 2.156 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C[C@H](C)O1 ZINC000820761322 607202604 /nfs/dbraw/zinc/20/26/04/607202604.db2.gz XBMHAKLGKNMFCX-RYUDHWBXSA-N 1 0 393.879 2.141 20 0 GEADRO O=C(c1ncc(-c2nn[nH]n2)cc1Cl)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000823497938 607232449 /nfs/dbraw/zinc/23/24/49/607232449.db2.gz BHCWWYJKJCLDOR-UHFFFAOYSA-N 1 0 397.870 2.263 20 0 GEADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000446092459 649971309 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ZINC000826407393 608326419 /nfs/dbraw/zinc/32/64/19/608326419.db2.gz LTZZJGKJKWDMAB-CVEARBPZSA-N 1 0 384.484 2.334 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407188 608326927 /nfs/dbraw/zinc/32/69/27/608326927.db2.gz DWCUAWLZCLWALC-HOTGVXAUSA-N 1 0 384.484 2.334 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000826168312 608354989 /nfs/dbraw/zinc/35/49/89/608354989.db2.gz JIAWNVHRANLVGT-ROUUACIJSA-N 1 0 376.464 2.444 20 0 GEADRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000825284915 608355221 /nfs/dbraw/zinc/35/52/21/608355221.db2.gz CMTOBPRQTUNGHE-YOEHRIQHSA-N 1 0 386.500 2.392 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000826168462 608358596 /nfs/dbraw/zinc/35/85/96/608358596.db2.gz NQTDJHKVVVMLCF-CYBMUJFWSA-N 1 0 388.472 2.222 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000826169088 608370376 /nfs/dbraw/zinc/37/03/76/608370376.db2.gz HUMYUNXPBDXQLE-MRXNPFEDSA-N 1 0 393.451 2.121 20 0 GEADRO CS[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)C[C@@H]1[NH+](C)C ZINC000826227474 608382681 /nfs/dbraw/zinc/38/26/81/608382681.db2.gz RIWMYODIBFQDID-KBPBESRZSA-N 1 0 391.451 2.175 20 0 GEADRO CS[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)C[C@H]1[NH+](C)C ZINC000826227475 608382837 /nfs/dbraw/zinc/38/28/37/608382837.db2.gz RIWMYODIBFQDID-KGLIPLIRSA-N 1 0 391.451 2.175 20 0 GEADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824978969 608421083 /nfs/dbraw/zinc/42/10/83/608421083.db2.gz ZDAJAMSJTVYVPO-HNAYVOBHSA-N 1 0 395.511 2.394 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000826176475 608426527 /nfs/dbraw/zinc/42/65/27/608426527.db2.gz QRXVEFLUOGSUAW-CYBMUJFWSA-N 1 0 397.435 2.376 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000826183854 608428412 /nfs/dbraw/zinc/42/84/12/608428412.db2.gz CBVNHYGUGOHCPP-ZDUSSCGKSA-N 1 0 376.424 2.307 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)nn1 ZINC000825865796 608431630 /nfs/dbraw/zinc/43/16/30/608431630.db2.gz LHUIVMYDFRISCJ-UHFFFAOYSA-N 1 0 392.389 2.244 20 0 GEADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824005075 608433069 /nfs/dbraw/zinc/43/30/69/608433069.db2.gz JUHQELYNVRJACU-GFCCVEGCSA-N 1 0 379.424 2.114 20 0 GEADRO Cc1sc(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000826349557 608433803 /nfs/dbraw/zinc/43/38/03/608433803.db2.gz MHHMGRTZLKCWSD-AWEZNQCLSA-N 1 0 386.481 2.197 20 0 GEADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826177894 608446244 /nfs/dbraw/zinc/44/62/44/608446244.db2.gz ABAOJAVPFJNILJ-CYBMUJFWSA-N 1 0 396.451 2.482 20 0 GEADRO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC1CCS(=O)(=O)CC1 ZINC000824262037 608448602 /nfs/dbraw/zinc/44/86/02/608448602.db2.gz UQCRDTSGAFTEES-UHFFFAOYSA-N 1 0 377.514 2.150 20 0 GEADRO CC(C)([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)C(=O)NCC1CCCC1 ZINC000824166834 608458062 /nfs/dbraw/zinc/45/80/62/608458062.db2.gz LBILSOWAZTWQOP-UHFFFAOYSA-N 1 0 386.500 2.310 20 0 GEADRO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824611925 608460865 /nfs/dbraw/zinc/46/08/65/608460865.db2.gz FWRPZKNCFMARSZ-NSHDSACASA-N 1 0 381.827 2.379 20 0 GEADRO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826215889 608463056 /nfs/dbraw/zinc/46/30/56/608463056.db2.gz BJHPOPHQOKTRSC-CQSZACIVSA-N 1 0 380.452 2.185 20 0 GEADRO O=c1cc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)nc2ccccn12 ZINC000826502047 608466919 /nfs/dbraw/zinc/46/69/19/608466919.db2.gz SGKDZTIXMSUILR-UHFFFAOYSA-N 1 0 385.431 2.164 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826188533 608472997 /nfs/dbraw/zinc/47/29/97/608472997.db2.gz ZSNYKUDZOSRONI-LBPRGKRZSA-N 1 0 382.424 2.173 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824563761 608483464 /nfs/dbraw/zinc/48/34/64/608483464.db2.gz PUFCEPPCTSICRY-VKJFTORMSA-N 1 0 386.500 2.229 20 0 GEADRO C[C@H]([NH2+]CC(=O)N(C)CCCOc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554948 608484263 /nfs/dbraw/zinc/48/42/63/608484263.db2.gz TWVQFYHDWAMQFT-INIZCTEOSA-N 1 0 394.479 2.445 20 0 GEADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000824280599 608486471 /nfs/dbraw/zinc/48/64/71/608486471.db2.gz PWGGPWZMYSRDDP-LLVKDONJSA-N 1 0 386.485 2.206 20 0 GEADRO CCOCc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825605013 608488687 /nfs/dbraw/zinc/48/86/87/608488687.db2.gz NIJYTKAEUFQVTB-OAHLLOKOSA-N 1 0 394.479 2.370 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554967 608489277 /nfs/dbraw/zinc/48/92/77/608489277.db2.gz UCFBSEPQYYMDKF-FZMZJTMJSA-N 1 0 382.390 2.318 20 0 GEADRO Cc1cccc(OCCCNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826300405 608491518 /nfs/dbraw/zinc/49/15/18/608491518.db2.gz UEIZFXBREMNGDP-INIZCTEOSA-N 1 0 394.479 2.411 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1cccc(-c2nn[nH]n2)c1 ZINC000824562034 608493531 /nfs/dbraw/zinc/49/35/31/608493531.db2.gz BWFWYQNDBVYHSZ-LLVKDONJSA-N 1 0 383.481 2.491 20 0 GEADRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000824599060 608494614 /nfs/dbraw/zinc/49/46/14/608494614.db2.gz LQDARAIITGXIRB-CYBMUJFWSA-N 1 0 378.436 2.115 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826485108 608504266 /nfs/dbraw/zinc/50/42/66/608504266.db2.gz CDVFCENLQDBKPB-SFHVURJKSA-N 1 0 383.477 2.308 20 0 GEADRO c1cnn(-c2cccc(C[NH+]3CCN(c4ccccc4-c4nn[nH]n4)CC3)c2)c1 ZINC000826515698 608516075 /nfs/dbraw/zinc/51/60/75/608516075.db2.gz HWGARMKIZNEHCG-UHFFFAOYSA-N 1 0 386.463 2.375 20 0 GEADRO COc1ccc(C(=O)NCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826187109 608519804 /nfs/dbraw/zinc/51/98/04/608519804.db2.gz AJVLVCYRHOHHOX-IBGZPJMESA-N 1 0 392.463 2.272 20 0 GEADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826412156 608526781 /nfs/dbraw/zinc/52/67/81/608526781.db2.gz DGXHHCVBVHZEJD-LPHOPBHVSA-N 1 0 378.436 2.173 20 0 GEADRO O=S1(=O)CCC(CC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826496194 608527139 /nfs/dbraw/zinc/52/71/39/608527139.db2.gz NZAJRHOTVQHKGM-QGZVFWFLSA-N 1 0 375.498 2.049 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cccn2)c1 ZINC000824562219 608527297 /nfs/dbraw/zinc/52/72/97/608527297.db2.gz CUYJLMUEFMDTNE-AWEZNQCLSA-N 1 0 388.435 2.342 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NCC1(c2ccccc2)CC1 ZINC000826412449 608528091 /nfs/dbraw/zinc/52/80/91/608528091.db2.gz OIRKULFSODLOFT-UHFFFAOYSA-N 1 0 388.475 2.293 20 0 GEADRO Nc1ccc(F)c(NC(=O)CC[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826396121 608529637 /nfs/dbraw/zinc/52/96/37/608529637.db2.gz HUKNRGLBLZWMMZ-UHFFFAOYSA-N 1 0 381.415 2.196 20 0 GEADRO CC(C)Cc1nnc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000824280629 608530274 /nfs/dbraw/zinc/53/02/74/608530274.db2.gz QZQDZZFCUGILRX-UHFFFAOYSA-N 1 0 398.496 2.134 20 0 GEADRO Cc1csc2nc(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)cc(=O)n12 ZINC000826321125 608534404 /nfs/dbraw/zinc/53/44/04/608534404.db2.gz RBUFRORBPZGRAD-UHFFFAOYSA-N 1 0 379.449 2.023 20 0 GEADRO O=C(CC[NH2+][C@@H](CCCO)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000826407203 608536727 /nfs/dbraw/zinc/53/67/27/608536727.db2.gz FGJMVJYPVZVLJO-HNNXBMFYSA-N 1 0 386.481 2.360 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000826176590 608536857 /nfs/dbraw/zinc/53/68/57/608536857.db2.gz VTDCCCVPNZSLJD-KRWDZBQOSA-N 1 0 383.452 2.358 20 0 GEADRO CC[C@@H](CSC)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825126053 608538383 /nfs/dbraw/zinc/53/83/83/608538383.db2.gz HAVDRKVCXUUMOP-INIZCTEOSA-N 1 0 391.545 2.082 20 0 GEADRO CC(C)([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000824165837 608549971 /nfs/dbraw/zinc/54/99/71/608549971.db2.gz BFRGUFQFDDDLOS-AWEZNQCLSA-N 1 0 389.406 2.410 20 0 GEADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC000826299184 608560295 /nfs/dbraw/zinc/56/02/95/608560295.db2.gz UVPRJNCSBRFABB-CYBMUJFWSA-N 1 0 383.481 2.482 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446300008 649976905 /nfs/dbraw/zinc/97/69/05/649976905.db2.gz XGDJWWNBQPGJHZ-GYSYKLTISA-N 1 0 380.286 2.426 20 0 GEADRO CCCn1cc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cn1 ZINC000825363304 608569931 /nfs/dbraw/zinc/56/99/31/608569931.db2.gz XFPJUZJBNLYJRY-UHFFFAOYSA-N 1 0 382.472 2.348 20 0 GEADRO COCc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)o1 ZINC000826164803 608570090 /nfs/dbraw/zinc/57/00/90/608570090.db2.gz QZSQWDAWPYHZGH-UHFFFAOYSA-N 1 0 384.440 2.481 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824529795 608579195 /nfs/dbraw/zinc/57/91/95/608579195.db2.gz HKWKNZAUBTVEFY-WFTMENRYSA-N 1 0 398.492 2.282 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824530068 608579222 /nfs/dbraw/zinc/57/92/22/608579222.db2.gz JHHOOXRBHXRLRO-WFTMENRYSA-N 1 0 398.492 2.282 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825492003 608580786 /nfs/dbraw/zinc/58/07/86/608580786.db2.gz BVTZBLZZSCOHJN-QWHCGFSZSA-N 1 0 395.410 2.332 20 0 GEADRO C[C@@]1(CCCO)CCC[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824817644 608641634 /nfs/dbraw/zinc/64/16/34/608641634.db2.gz PYULUGYTVVJREE-KRWDZBQOSA-N 1 0 378.864 2.086 20 0 GEADRO CC(C)n1ccnc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824377884 608685113 /nfs/dbraw/zinc/68/51/13/608685113.db2.gz QUGXCAOIBXRTMA-UHFFFAOYSA-N 1 0 386.529 2.414 20 0 GEADRO C[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000825961953 608687692 /nfs/dbraw/zinc/68/76/92/608687692.db2.gz PQKBKRMDTQVDSR-IBGZPJMESA-N 1 0 396.495 2.337 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826232056 608699644 /nfs/dbraw/zinc/69/96/44/608699644.db2.gz IDAJFYVSYVQLSN-MRXNPFEDSA-N 1 0 388.479 2.221 20 0 GEADRO CCc1nsc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)n1 ZINC000825776047 608748043 /nfs/dbraw/zinc/74/80/43/608748043.db2.gz DJTRPNYJDOINQK-UHFFFAOYSA-N 1 0 376.515 2.054 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000824999215 608808879 /nfs/dbraw/zinc/80/88/79/608808879.db2.gz DZLOHSACBFMPAH-JQWIXIFHSA-N 1 0 393.398 2.169 20 0 GEADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1coc2ccccc12 ZINC000824999831 608834467 /nfs/dbraw/zinc/83/44/67/608834467.db2.gz KMCPPGWHJYGSLA-CYBMUJFWSA-N 1 0 376.424 2.114 20 0 GEADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccco1 ZINC000826502994 608842497 /nfs/dbraw/zinc/84/24/97/608842497.db2.gz NZCQRRYAESRUFQ-HOCLYGCPSA-N 1 0 379.424 2.196 20 0 GEADRO Cc1nn(C)c(N(C)C)c1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826334347 608858612 /nfs/dbraw/zinc/85/86/12/608858612.db2.gz RHTTYZNQSGCKLR-UHFFFAOYSA-N 1 0 378.484 2.264 20 0 GEADRO CC[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825181066 609140680 /nfs/dbraw/zinc/14/06/80/609140680.db2.gz BWWNTADSHNCITF-RBUKOAKNSA-N 1 0 398.511 2.106 20 0 GEADRO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824576998 609145992 /nfs/dbraw/zinc/14/59/92/609145992.db2.gz FTLOJYYSSDHRFI-BTYIYWSLSA-N 1 0 396.470 2.293 20 0 GEADRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824906754 609148692 /nfs/dbraw/zinc/14/86/92/609148692.db2.gz DQRZKFQWCOXGQL-BNOWGMLFSA-N 1 0 385.390 2.269 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546510 609152934 /nfs/dbraw/zinc/15/29/34/609152934.db2.gz JNAONLYDQBKARQ-ZANVPECISA-N 1 0 386.353 2.210 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000446405710 649979414 /nfs/dbraw/zinc/97/94/14/649979414.db2.gz MCBAAQBQHUJMPZ-VHSXEESVSA-N 1 0 384.221 2.167 20 0 GEADRO CC1CC[NH+](Cc2cccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)c2)CC1 ZINC000824961582 609206931 /nfs/dbraw/zinc/20/69/31/609206931.db2.gz DHXNLGPLTYOZEH-UHFFFAOYSA-N 1 0 379.468 2.357 20 0 GEADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826453799 609211320 /nfs/dbraw/zinc/21/13/20/609211320.db2.gz ZYDNBJKOSVOMHR-LJQANCHMSA-N 1 0 392.463 2.177 20 0 GEADRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824530046 609222088 /nfs/dbraw/zinc/22/20/88/609222088.db2.gz JEAJLHWCYPASKK-KSSFIOAISA-N 1 0 394.479 2.146 20 0 GEADRO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824968919 609238809 /nfs/dbraw/zinc/23/88/09/609238809.db2.gz QTWZBVDNQYYGCB-ZNOIYHFQSA-N 1 0 380.496 2.481 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000446411221 649979963 /nfs/dbraw/zinc/97/99/63/649979963.db2.gz GAYJWYSQIFOFFF-JSGCOSHPSA-N 1 0 383.290 2.347 20 0 GEADRO O[C@@]1(c2ccc(F)cc2)CC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826506303 609282722 /nfs/dbraw/zinc/28/27/22/609282722.db2.gz RIIPNYRZZZIQMZ-FQEVSTJZSA-N 1 0 383.427 2.368 20 0 GEADRO C[C@H](NC(=O)CNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477650 609315800 /nfs/dbraw/zinc/31/58/00/609315800.db2.gz BNDIIECHJHFCMK-GOEBONIOSA-N 1 0 383.500 2.048 20 0 GEADRO C[C@@H](NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824522877 609316057 /nfs/dbraw/zinc/31/60/57/609316057.db2.gz WBZOVWRFGXHNPZ-NEPJUHHUSA-N 1 0 389.891 2.298 20 0 GEADRO CN(CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825941885 609337056 /nfs/dbraw/zinc/33/70/56/609337056.db2.gz QLNNBQFSWGKGGI-UHFFFAOYSA-N 1 0 388.479 2.493 20 0 GEADRO Cn1cc(C[NH2+]C[C@@](C)(O)c2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361109 609340145 /nfs/dbraw/zinc/34/01/45/609340145.db2.gz LOKCPOVKZUCYIR-OAQYLSRUSA-N 1 0 389.463 2.265 20 0 GEADRO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826390895 609359848 /nfs/dbraw/zinc/35/98/48/609359848.db2.gz QMOAVXMELDPHIS-LLVKDONJSA-N 1 0 393.289 2.107 20 0 GEADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000826513610 609367926 /nfs/dbraw/zinc/36/79/26/609367926.db2.gz QHEVUSBMTBNAKA-VAMGGRTRSA-N 1 0 394.523 2.378 20 0 GEADRO O[C@H]1CC[N@H+](Cc2ccccc2CNc2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000826507869 609388567 /nfs/dbraw/zinc/38/85/67/609388567.db2.gz XOVVMCQVTMIUFQ-HNNXBMFYSA-N 1 0 386.406 2.324 20 0 GEADRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826306414 609427810 /nfs/dbraw/zinc/42/78/10/609427810.db2.gz YFBIJMJPKHKKOR-MRXNPFEDSA-N 1 0 386.843 2.090 20 0 GEADRO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826429868 609496037 /nfs/dbraw/zinc/49/60/37/609496037.db2.gz OUJJRMCEGMJQDP-CGTJXYLNSA-N 1 0 391.479 2.225 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824545949 609507249 /nfs/dbraw/zinc/50/72/49/609507249.db2.gz FNEIIGFMSXSKHT-KSSFIOAISA-N 1 0 377.452 2.104 20 0 GEADRO COc1ccc(C2(C[NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CCC2)cc1 ZINC000826190239 609507854 /nfs/dbraw/zinc/50/78/54/609507854.db2.gz VCUJJTCYCKDDBY-GOSISDBHSA-N 1 0 392.463 2.113 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1Br ZINC000446478058 649981625 /nfs/dbraw/zinc/98/16/25/649981625.db2.gz RJSCQGOXPOMBGB-NEPJUHHUSA-N 1 0 397.317 2.470 20 0 GEADRO CC(C)(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)[NH+]1CCCCC1 ZINC000824157824 609538240 /nfs/dbraw/zinc/53/82/40/609538240.db2.gz NYYVLXYUBHCBTO-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1Br ZINC000446478061 649981720 /nfs/dbraw/zinc/98/17/20/649981720.db2.gz RJSCQGOXPOMBGB-VXGBXAGGSA-N 1 0 397.317 2.470 20 0 GEADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4nccnc4-c4nn[nH]n4)[C@@H]3C2)cc1 ZINC000826521414 609595167 /nfs/dbraw/zinc/59/51/67/609595167.db2.gz LIKZEPDZZFJBFN-BBWFWOEESA-N 1 0 376.468 2.369 20 0 GEADRO Cc1n[nH]c(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)n1 ZINC000826325949 609596478 /nfs/dbraw/zinc/59/64/78/609596478.db2.gz RYUOGTPXTXTQEX-UHFFFAOYSA-N 1 0 390.451 2.205 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000446546576 649983253 /nfs/dbraw/zinc/98/32/53/649983253.db2.gz JLYPDADXSUGRGB-TXEJJXNPSA-N 1 0 383.290 2.162 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ncc1Br ZINC000446547710 649983434 /nfs/dbraw/zinc/98/34/34/649983434.db2.gz NIMRLJKAWYEVCD-BETUJISGSA-N 1 0 397.317 2.470 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000446702967 649986897 /nfs/dbraw/zinc/98/68/97/649986897.db2.gz VZIOJZRQXKMMPA-SWLSCSKDSA-N 1 0 376.291 2.302 20 0 GEADRO COC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCC1 ZINC000446748909 649988006 /nfs/dbraw/zinc/98/80/06/649988006.db2.gz VFHXAYNTRHMUTB-MRXNPFEDSA-N 1 0 388.555 2.064 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000446782484 649988434 /nfs/dbraw/zinc/98/84/34/649988434.db2.gz YWZNLFTZVJHPOI-JTQLQIEISA-N 1 0 386.677 2.394 20 0 GEADRO COC1(C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CCOCC1 ZINC000447060991 649996382 /nfs/dbraw/zinc/99/63/82/649996382.db2.gz SVVCNTKTRXZZSG-UHFFFAOYSA-N 1 0 381.416 2.394 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CCC1 ZINC000447235506 650002796 /nfs/dbraw/zinc/00/27/96/650002796.db2.gz SLVIPTBASLFZNS-UHFFFAOYSA-N 1 0 394.313 2.477 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc(I)cc32)CC[NH2+]1 ZINC000447516811 650007193 /nfs/dbraw/zinc/00/71/93/650007193.db2.gz ICWDLQBQDBDFJW-WPRPVWTQSA-N 1 0 384.221 2.038 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000447521260 650007205 /nfs/dbraw/zinc/00/72/05/650007205.db2.gz VUCSXHWCSFAKIM-WWGRRREGSA-N 1 0 396.329 2.460 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)ncc1Br ZINC000447420690 650006514 /nfs/dbraw/zinc/00/65/14/650006514.db2.gz CDCJEZVUAMSPJZ-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000448877335 650024472 /nfs/dbraw/zinc/02/44/72/650024472.db2.gz FFHKOCZEAURHCE-GFCCVEGCSA-N 1 0 380.290 2.490 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000448927228 650026016 /nfs/dbraw/zinc/02/60/16/650026016.db2.gz CWBWFAFBPZMJBT-LLVKDONJSA-N 1 0 397.292 2.435 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[NH+](C(C)C)CC1 ZINC000449011260 650029632 /nfs/dbraw/zinc/02/96/32/650029632.db2.gz YLIOKLLEWLMVAI-CQSZACIVSA-N 1 0 398.345 2.488 20 0 GEADRO C[C@](O)(C[NH2+]Cc1ccnc2c(Br)cccc12)CN1CCOCC1 ZINC000449158628 650033397 /nfs/dbraw/zinc/03/33/97/650033397.db2.gz ZLYWODKRGKSYTL-SFHVURJKSA-N 1 0 394.313 2.170 20 0 GEADRO C[C@H](C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(F)cc(F)c1 ZINC000449154735 650033519 /nfs/dbraw/zinc/03/35/19/650033519.db2.gz JJTVARLWDPTBKW-DYVFJYSZSA-N 1 0 376.469 2.146 20 0 GEADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H](C)CC(N)=O ZINC000449182926 650033821 /nfs/dbraw/zinc/03/38/21/650033821.db2.gz DOSUNMXOGAPPTA-VIFPVBQESA-N 1 0 385.251 2.319 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(CO)CCC1 ZINC000449237259 650035124 /nfs/dbraw/zinc/03/51/24/650035124.db2.gz AXGAGAIWCYDKQC-LBPRGKRZSA-N 1 0 385.302 2.215 20 0 GEADRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc(I)cc1 ZINC000449243194 650035760 /nfs/dbraw/zinc/03/57/60/650035760.db2.gz IXHZLPUHJLHOKK-OAHLLOKOSA-N 1 0 391.249 2.474 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449290845 650037685 /nfs/dbraw/zinc/03/76/85/650037685.db2.gz ZHAITFVHALWHHU-GFCCVEGCSA-N 1 0 382.258 2.303 20 0 GEADRO CCOC(=O)[C@H]1CN(Cc2ccc(OC)cc2Br)CC12COC2 ZINC000449363874 650038956 /nfs/dbraw/zinc/03/89/56/650038956.db2.gz MQVHICYEIIWMTF-CQSZACIVSA-N 1 0 384.270 2.469 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)[C@H](C)O1 ZINC000449128030 650032290 /nfs/dbraw/zinc/03/22/90/650032290.db2.gz XKMPBKNRBUZHEY-OICBVUGWSA-N 1 0 391.249 2.186 20 0 GEADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449381433 650039357 /nfs/dbraw/zinc/03/93/57/650039357.db2.gz YTXIRFDYGOWNHK-ZDUSSCGKSA-N 1 0 399.310 2.063 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000449443341 650041009 /nfs/dbraw/zinc/04/10/09/650041009.db2.gz RKWCFGYUAZXQPL-HZPDHXFCSA-N 1 0 390.933 2.315 20 0 GEADRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000449464344 650041328 /nfs/dbraw/zinc/04/13/28/650041328.db2.gz ZIIKKZAXKQCQPQ-BLLLJJGKSA-N 1 0 381.274 2.171 20 0 GEADRO Cc1ncc(Br)cc1NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000449527079 650042148 /nfs/dbraw/zinc/04/21/48/650042148.db2.gz ZEXMJNXFHJBFME-UHFFFAOYSA-N 1 0 383.334 2.361 20 0 GEADRO COCC(COC)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000449545549 650042286 /nfs/dbraw/zinc/04/22/86/650042286.db2.gz TYAVBRWHIVSULU-UHFFFAOYSA-N 1 0 395.237 2.059 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000449596642 650043227 /nfs/dbraw/zinc/04/32/27/650043227.db2.gz BVKGEOBABXLFAA-UKRRQHHQSA-N 1 0 392.359 2.321 20 0 GEADRO CCn1nnc(C)c1C[NH2+]C[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000449601369 650043532 /nfs/dbraw/zinc/04/35/32/650043532.db2.gz RGSFTADXFAZFLQ-CQSZACIVSA-N 1 0 397.317 2.318 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449600777 650043586 /nfs/dbraw/zinc/04/35/86/650043586.db2.gz PMOWGGZLWHOVJO-NWDGAFQWSA-N 1 0 396.322 2.152 20 0 GEADRO Cn1cc(I)c(C[NH2+][C@@H]2CCCC23CCOCC3)n1 ZINC000449607235 650044115 /nfs/dbraw/zinc/04/41/15/650044115.db2.gz WXPCYQGNTBNVMX-CYBMUJFWSA-N 1 0 375.254 2.464 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2c(C)cnn2C)cc1Br ZINC000449605355 650044127 /nfs/dbraw/zinc/04/41/27/650044127.db2.gz ZEBIBDCGJJJTIK-AWEZNQCLSA-N 1 0 382.302 2.440 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000449700199 650046479 /nfs/dbraw/zinc/04/64/79/650046479.db2.gz SIFVXKIWBSANHR-HUUCEWRRSA-N 1 0 394.313 2.306 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000449699388 650046483 /nfs/dbraw/zinc/04/64/83/650046483.db2.gz QLRCNTRPEUAHKW-DOMZBBRYSA-N 1 0 394.313 2.306 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000449711436 650046960 /nfs/dbraw/zinc/04/69/60/650046960.db2.gz OMNJDHKICQOTHR-APHBMKBZSA-N 1 0 382.302 2.260 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000449711655 650047109 /nfs/dbraw/zinc/04/71/09/650047109.db2.gz FIQRWCLTAJMUAQ-FZMZJTMJSA-N 1 0 383.290 2.204 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000449711437 650047236 /nfs/dbraw/zinc/04/72/36/650047236.db2.gz OMNJDHKICQOTHR-DAXOMENPSA-N 1 0 382.302 2.260 20 0 GEADRO CSc1cccc(N2C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2=O)c1 ZINC000449716974 650047442 /nfs/dbraw/zinc/04/74/42/650047442.db2.gz HLJUENSREXYFTD-GWCFXTLKSA-N 1 0 375.416 2.157 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(F)c(F)cc2I)C1 ZINC000449717189 650047489 /nfs/dbraw/zinc/04/74/89/650047489.db2.gz DNELYEBJAVJKFK-YUMQZZPRSA-N 1 0 380.176 2.427 20 0 GEADRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000449747933 650048465 /nfs/dbraw/zinc/04/84/65/650048465.db2.gz YZDQWRSOWUARRL-APPZFPTMSA-N 1 0 377.080 2.350 20 0 GEADRO C[NH+](C)C[C@H]1CN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CCO1 ZINC000449880372 650055021 /nfs/dbraw/zinc/05/50/21/650055021.db2.gz NUKDLUALMCCQMN-JTQLQIEISA-N 1 0 384.249 2.472 20 0 GEADRO O=C(CCc1cccc(F)c1Br)NCC1CC[NH+](CCO)CC1 ZINC000450166954 650061538 /nfs/dbraw/zinc/06/15/38/650061538.db2.gz BBWKCBUVLAYSRH-UHFFFAOYSA-N 1 0 387.293 2.341 20 0 GEADRO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450235636 650062583 /nfs/dbraw/zinc/06/25/83/650062583.db2.gz YHVGKTYNAVDVFV-CQSZACIVSA-N 1 0 377.457 2.423 20 0 GEADRO CCOCC[N@@H+]1CCN(c2ccc(I)cn2)C[C@H]1C ZINC000450312183 650063812 /nfs/dbraw/zinc/06/38/12/650063812.db2.gz KZDOJERWOAAQJF-GFCCVEGCSA-N 1 0 375.254 2.233 20 0 GEADRO C[NH+](C)CCOC1CCN(c2ccc(I)cn2)CC1 ZINC000450329758 650063901 /nfs/dbraw/zinc/06/39/01/650063901.db2.gz MFWCLSCVLGJQMT-UHFFFAOYSA-N 1 0 375.254 2.233 20 0 GEADRO C[C@H](O)C(=O)N1CCN(c2ccnc3cc(F)c(Br)cc32)CC1 ZINC000450408620 650064848 /nfs/dbraw/zinc/06/48/48/650064848.db2.gz JEXYRGQINWJSHH-JTQLQIEISA-N 1 0 382.233 2.166 20 0 GEADRO O=C1N=NC(C2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)O1 ZINC000450912201 650075182 /nfs/dbraw/zinc/07/51/82/650075182.db2.gz GBXQJQALPJJVDG-CYBMUJFWSA-N 1 0 398.257 2.157 20 0 GEADRO CNC(=O)[C@H]1C[N@H+](Cc2cc(Br)ccc2C)C[C@@H]1c1cnn(C)c1 ZINC000450965282 650076763 /nfs/dbraw/zinc/07/67/63/650076763.db2.gz HATYCHBDTARHFZ-SJORKVTESA-N 1 0 391.313 2.453 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000451057600 650082541 /nfs/dbraw/zinc/08/25/41/650082541.db2.gz UEDRSBWJHIUEGD-HUUCEWRRSA-N 1 0 386.901 2.340 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CCc2scnc2C)[C@H](C)C1 ZINC000451210641 650096650 /nfs/dbraw/zinc/09/66/50/650096650.db2.gz ROABMBNUWSBPRN-ZBFHGGJFSA-N 1 0 389.587 2.050 20 0 GEADRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000451261312 650099075 /nfs/dbraw/zinc/09/90/75/650099075.db2.gz VUIWSNXWPXHHQO-SMDDNHRTSA-N 1 0 388.249 2.323 20 0 GEADRO O=C1NCCC[C@H]1[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451193490 650095232 /nfs/dbraw/zinc/09/52/32/650095232.db2.gz PWHOEHYWPFTLEK-DZGCQCFKSA-N 1 0 384.261 2.434 20 0 GEADRO COC[C@@]1(C(=O)OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000451331287 650104264 /nfs/dbraw/zinc/10/42/64/650104264.db2.gz CUNRTNYSCJUMCC-SJKOYZFVSA-N 1 0 399.285 2.288 20 0 GEADRO CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000451341592 650105170 /nfs/dbraw/zinc/10/51/70/650105170.db2.gz DQEWUYDTFKPRRS-OAHLLOKOSA-N 1 0 382.517 2.432 20 0 GEADRO C[C@@H]([N@H+](C)CC(=O)Nc1ccc(I)cc1)C(C)(C)O ZINC000451360079 650107277 /nfs/dbraw/zinc/10/72/77/650107277.db2.gz KGHDUTQHZDHVBR-SNVBAGLBSA-N 1 0 376.238 2.321 20 0 GEADRO Cc1csc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000451381517 650109117 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Cc1ccc(OCCC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(Br)c1 ZINC000452780065 650197323 /nfs/dbraw/zinc/19/73/23/650197323.db2.gz HCDZDQZFUWPDAP-HNNXBMFYSA-N 1 0 399.329 2.489 20 0 GEADRO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452785891 650197375 /nfs/dbraw/zinc/19/73/75/650197375.db2.gz VYSSOBVGMJTCFS-ZDUSSCGKSA-N 1 0 377.432 2.156 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452847488 650199400 /nfs/dbraw/zinc/19/94/00/650199400.db2.gz NGFXQGCUHBXHCW-NVXWUHKLSA-N 1 0 378.314 2.155 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@@H]21 ZINC000452981310 650202223 /nfs/dbraw/zinc/20/22/23/650202223.db2.gz WYJOCAYYWAZKTB-YGRLFVJLSA-N 1 0 376.254 2.479 20 0 GEADRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453268678 650207343 /nfs/dbraw/zinc/20/73/43/650207343.db2.gz ZWJHEFKPGHZJFC-OTYXRUKQSA-N 1 0 385.313 2.079 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000453275465 650207711 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Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000453638689 650211452 /nfs/dbraw/zinc/21/14/52/650211452.db2.gz DEDQZYAOCOJOMA-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C1CC1 ZINC000453651790 650212350 /nfs/dbraw/zinc/21/23/50/650212350.db2.gz YVAONOVRSHUCCA-ZDUSSCGKSA-N 1 0 388.693 2.497 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000453649596 650212410 /nfs/dbraw/zinc/21/24/10/650212410.db2.gz YXBPBRJZPRGUOA-RYUDHWBXSA-N 1 0 397.317 2.470 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453655160 650212915 /nfs/dbraw/zinc/21/29/15/650212915.db2.gz PENQCCBIXRKKTR-ZDUSSCGKSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000453696352 650217023 /nfs/dbraw/zinc/21/70/23/650217023.db2.gz HTGWNEBKDGIFIY-CMPLNLGQSA-N 1 0 386.265 2.434 20 0 GEADRO CCOc1ccc(Cl)c(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000453699685 650217460 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CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCn1cc(Br)ccc1=O ZINC000454499267 650268238 /nfs/dbraw/zinc/26/82/38/650268238.db2.gz PLTAFCLESACZGC-OAHLLOKOSA-N 1 0 399.333 2.175 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000454536958 650269149 /nfs/dbraw/zinc/26/91/49/650269149.db2.gz LSQWTRKDJPSDET-HNNXBMFYSA-N 1 0 398.280 2.424 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454642849 650274266 /nfs/dbraw/zinc/27/42/66/650274266.db2.gz GILNTOKDRLUNFL-NHZBNJEXSA-N 1 0 395.345 2.397 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1nn(C)cc1Br ZINC000454643285 650274299 /nfs/dbraw/zinc/27/42/99/650274299.db2.gz NJYYWWSDBBDJMX-JHJVBQTASA-N 1 0 386.338 2.348 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc(Br)c4)C3)C[C@@H]21 ZINC000454882384 650282008 /nfs/dbraw/zinc/28/20/08/650282008.db2.gz BMRZNBAYFPTIEQ-KMFMINBZSA-N 1 0 393.329 2.373 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1I ZINC000454913799 650283140 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C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(I)cn3)CC[C@H]21 ZINC000456016377 650327666 /nfs/dbraw/zinc/32/76/66/650327666.db2.gz PFXYXZUKMOTJST-SMDDNHRTSA-N 1 0 385.249 2.243 20 0 GEADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CNC(=O)c1ccc(Br)s1 ZINC000456378269 650338296 /nfs/dbraw/zinc/33/82/96/650338296.db2.gz MCGJDCZZLAFKER-LLVKDONJSA-N 1 0 388.331 2.183 20 0 GEADRO C[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c32)C[C@H](C)[N@H+]1CCO ZINC000456212413 650334287 /nfs/dbraw/zinc/33/42/87/650334287.db2.gz PBPMWACOBXDVAT-TXEJJXNPSA-N 1 0 380.286 2.458 20 0 GEADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000456358053 650337995 /nfs/dbraw/zinc/33/79/95/650337995.db2.gz SZMNYBFPSOAYJS-OAHLLOKOSA-N 1 0 382.302 2.122 20 0 GEADRO CC(C)[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456713572 650357060 /nfs/dbraw/zinc/35/70/60/650357060.db2.gz IRSZWQJBZDUVOJ-BBRMVZONSA-N 1 0 389.309 2.442 20 0 GEADRO C[C@H](CS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456796875 650363180 /nfs/dbraw/zinc/36/31/80/650363180.db2.gz WLAQAUNZJFBXHA-GFCCVEGCSA-N 1 0 388.917 2.432 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)COc2cccc(Br)c2)CC1 ZINC000456909969 650366685 /nfs/dbraw/zinc/36/66/85/650366685.db2.gz ZOJOHRKHMHQPJZ-UHFFFAOYSA-N 1 0 398.345 2.360 20 0 GEADRO CC(C)[C@@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[NH+](C)C ZINC000456977202 650369477 /nfs/dbraw/zinc/36/94/77/650369477.db2.gz DMCDRONGYFSDHH-HNNXBMFYSA-N 1 0 385.306 2.205 20 0 GEADRO Cc1c(C(=O)NC(C)(C)C[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000457213101 650374184 /nfs/dbraw/zinc/37/41/84/650374184.db2.gz UQAJRCHMQAEVNG-UHFFFAOYSA-N 1 0 380.290 2.408 20 0 GEADRO Cc1nc(NCC[C@@H](O)C(F)(F)F)cc(NCC[C@H](O)C(F)(F)F)[nH+]1 ZINC000540975350 650374974 /nfs/dbraw/zinc/37/49/74/650374974.db2.gz UPFZCXMYBUUKGY-DTORHVGOSA-N 1 0 376.301 2.235 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1OC(F)F ZINC000500467192 650377899 /nfs/dbraw/zinc/37/78/99/650377899.db2.gz FCCNOWTVOUTIDX-CHWSQXEVSA-N 1 0 378.441 2.104 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000500469105 650378341 /nfs/dbraw/zinc/37/83/41/650378341.db2.gz JKLPRHGWWXKZRL-QGZVFWFLSA-N 1 0 385.961 2.272 20 0 GEADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500474379 650378623 /nfs/dbraw/zinc/37/86/23/650378623.db2.gz HFNVNHZCLBGXGE-FZMZJTMJSA-N 1 0 391.331 2.265 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000457485763 650379916 /nfs/dbraw/zinc/37/99/16/650379916.db2.gz SHVWCTFADCFVES-HNNXBMFYSA-N 1 0 398.280 2.424 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)Cn1ccnc1C ZINC000457690460 650382693 /nfs/dbraw/zinc/38/26/93/650382693.db2.gz NHSXRKZIBYRICD-HNNXBMFYSA-N 1 0 380.242 2.327 20 0 GEADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc(Br)co1 ZINC000457681187 650382761 /nfs/dbraw/zinc/38/27/61/650382761.db2.gz HVKFBMVVWANRPS-GJZGRUSLSA-N 1 0 379.254 2.407 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)Cn1ccnc1C ZINC000457690461 650382781 /nfs/dbraw/zinc/38/27/81/650382781.db2.gz NHSXRKZIBYRICD-OAHLLOKOSA-N 1 0 380.242 2.327 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC)[C@H](C)CS(=O)(=O)CC ZINC000500863363 650383689 /nfs/dbraw/zinc/38/36/89/650383689.db2.gz RWBYCRHIJOKHSZ-SJORKVTESA-N 1 0 375.579 2.496 20 0 GEADRO O=C(NCc1csc(Br)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457799358 650385056 /nfs/dbraw/zinc/38/50/56/650385056.db2.gz IIIZMHJYDJJHCO-LBPRGKRZSA-N 1 0 376.320 2.157 20 0 GEADRO O=C(NCc1ccc(Br)s1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457802957 650385195 /nfs/dbraw/zinc/38/51/95/650385195.db2.gz MFWFZBNEBDNGNQ-LLVKDONJSA-N 1 0 376.320 2.157 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cc(C)cnc1N ZINC000501014423 650386185 /nfs/dbraw/zinc/38/61/85/650386185.db2.gz KVJQNZHINOSQRD-UHFFFAOYSA-N 1 0 382.452 2.257 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CC1 ZINC000501360600 650390685 /nfs/dbraw/zinc/39/06/85/650390685.db2.gz HDLXYHHEBRJORM-AWEZNQCLSA-N 1 0 380.330 2.360 20 0 GEADRO CC(C)OC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000501449704 650392320 /nfs/dbraw/zinc/39/23/20/650392320.db2.gz ZNTOWMJEIKTOIV-OCCSQVGLSA-N 1 0 393.265 2.434 20 0 GEADRO Cn1c(SCC(=O)NCC[C@H]2CCC[N@H+](C)C2)nnc1-c1cccs1 ZINC000458173700 650398677 /nfs/dbraw/zinc/39/86/77/650398677.db2.gz RNRJFWNTXJVZRY-CYBMUJFWSA-N 1 0 379.555 2.484 20 0 GEADRO C[NH+](C)CC1(CNC(=O)NCCCn2cc(Br)cn2)CCCC1 ZINC000501934991 650399374 /nfs/dbraw/zinc/39/93/74/650399374.db2.gz ALBKZCIZLWVTNR-UHFFFAOYSA-N 1 0 386.338 2.457 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000501961713 650399586 /nfs/dbraw/zinc/39/95/86/650399586.db2.gz FCPDTIKUKIRKTO-KGLIPLIRSA-N 1 0 385.302 2.301 20 0 GEADRO CC[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H](O)C(F)F ZINC000458390081 650402020 /nfs/dbraw/zinc/40/20/20/650402020.db2.gz QKELHTQOFFXXTA-KGLIPLIRSA-N 1 0 379.517 2.442 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000458431330 650403398 /nfs/dbraw/zinc/40/33/98/650403398.db2.gz GLPDWZZIYXGMBW-HNNXBMFYSA-N 1 0 387.933 2.287 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cn1 ZINC000458728236 650409848 /nfs/dbraw/zinc/40/98/48/650409848.db2.gz GAJVCVIUCCUGRN-TZMCWYRMSA-N 1 0 385.306 2.051 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000458684273 650407662 /nfs/dbraw/zinc/40/76/62/650407662.db2.gz DNMZYFWUXYAEPJ-UHFFFAOYSA-N 1 0 388.281 2.234 20 0 GEADRO CC[N@H+](CCNC(=O)N1CC[C@@H]([C@H](O)C(F)(F)F)C1)CCC(F)(F)F ZINC000458706097 650408396 /nfs/dbraw/zinc/40/83/96/650408396.db2.gz CLWRVRADJWYCLV-MNOVXSKESA-N 1 0 379.345 2.215 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000502604363 650408866 /nfs/dbraw/zinc/40/88/66/650408866.db2.gz RWJLIKISLVJVAG-HNNXBMFYSA-N 1 0 385.306 2.173 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1nc(C(F)(F)F)cs1 ZINC000458731233 650409801 /nfs/dbraw/zinc/40/98/01/650409801.db2.gz VVMRRGDKBVHFPM-QWRGUYRKSA-N 1 0 380.436 2.369 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)NC1CCC(CS(C)(=O)=O)CC1 ZINC000458902904 650413515 /nfs/dbraw/zinc/41/35/15/650413515.db2.gz MRVPAICAVLHHKE-UHFFFAOYSA-N 1 0 375.579 2.353 20 0 GEADRO C[NH+](C)C[C@H]1CN(C(=O)NC/C=C\c2ccc(Br)cc2)CCO1 ZINC000458973739 650416510 /nfs/dbraw/zinc/41/65/10/650416510.db2.gz MTXPELZGHHRZHH-QGZUEGPWSA-N 1 0 382.302 2.434 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2C)C[C@@H]1[NH+](C)C ZINC000503209587 650415706 /nfs/dbraw/zinc/41/57/06/650415706.db2.gz AQGRJRRDFJAGFK-VHSXEESVSA-N 1 0 399.401 2.485 20 0 GEADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000503445024 650417627 /nfs/dbraw/zinc/41/76/27/650417627.db2.gz BBYDPOJMXDTTTB-GJZGRUSLSA-N 1 0 381.567 2.296 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1csc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000503468036 650418182 /nfs/dbraw/zinc/41/81/82/650418182.db2.gz HSFLLJCCWVMERK-AWEZNQCLSA-N 1 0 387.571 2.238 20 0 GEADRO O=C(NCCc1cccc(Br)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000459144790 650419446 /nfs/dbraw/zinc/41/94/46/650419446.db2.gz GNDIVPBJEBULPO-MRXNPFEDSA-N 1 0 384.318 2.138 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1cccc(Br)c1 ZINC000459154663 650420069 /nfs/dbraw/zinc/42/00/69/650420069.db2.gz TWRXLYRVACPQMW-CQSZACIVSA-N 1 0 398.345 2.478 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[C@H]1Sc1ccccc1 ZINC000459445733 650424507 /nfs/dbraw/zinc/42/45/07/650424507.db2.gz SJKOQTSVXLCOGS-BZZMCLGOSA-N 1 0 384.567 2.196 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000504072068 650426833 /nfs/dbraw/zinc/42/68/33/650426833.db2.gz YFLLMOSGPIYACS-LRDDRELGSA-N 1 0 382.302 2.266 20 0 GEADRO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000459538540 650427626 /nfs/dbraw/zinc/42/76/26/650427626.db2.gz OEBHJFCSOILTGL-DZGCQCFKSA-N 1 0 379.448 2.327 20 0 GEADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc(Cl)c1O ZINC000459543490 650428106 /nfs/dbraw/zinc/42/81/06/650428106.db2.gz MIIJEOFUBHPFKX-GXTWGEPZSA-N 1 0 376.906 2.252 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459703935 650430029 /nfs/dbraw/zinc/43/00/29/650430029.db2.gz LSYYAYRBNVMWSE-DYVFJYSZSA-N 1 0 380.286 2.037 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)Cn1ccnn1 ZINC000459710878 650430925 /nfs/dbraw/zinc/43/09/25/650430925.db2.gz ZTPNJVZCRUZHGF-GFCCVEGCSA-N 1 0 379.180 2.210 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](CO)c1ccnn1C ZINC000459716892 650431389 /nfs/dbraw/zinc/43/13/89/650431389.db2.gz QEKLDYISMDOUQX-SMDDNHRTSA-N 1 0 381.274 2.223 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+]C1(CO)CCSCC1 ZINC000459721393 650431559 /nfs/dbraw/zinc/43/15/59/650431559.db2.gz YFJMUTCXSKMZQS-UHFFFAOYSA-N 1 0 393.372 2.317 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460077243 650439052 /nfs/dbraw/zinc/43/90/52/650439052.db2.gz PGNCSHSCZOYQOJ-CYBMUJFWSA-N 1 0 398.301 2.087 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CNC(=O)c3ccc(Br)cc3)C2)C1 ZINC000505668587 650439881 /nfs/dbraw/zinc/43/98/81/650439881.db2.gz JFHYHUZCAFUKKW-GOSISDBHSA-N 1 0 394.313 2.123 20 0 GEADRO Cc1ccc(Br)cc1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000460866820 650446910 /nfs/dbraw/zinc/44/69/10/650446910.db2.gz UTDXDQOXNODBEQ-INIZCTEOSA-N 1 0 396.329 2.430 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000461109403 650449304 /nfs/dbraw/zinc/44/93/04/650449304.db2.gz CNCOOUOKMYQIOB-UHFFFAOYSA-N 1 0 386.290 2.169 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000461732800 650459202 /nfs/dbraw/zinc/45/92/02/650459202.db2.gz OGLUKSDMKVMOAE-UHFFFAOYSA-N 1 0 375.579 2.065 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000507378328 650459478 /nfs/dbraw/zinc/45/94/78/650459478.db2.gz KOFUOCGKXMSYHB-AWEZNQCLSA-N 1 0 386.290 2.150 20 0 GEADRO COCCN1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000462029182 650464326 /nfs/dbraw/zinc/46/43/26/650464326.db2.gz HVOQLGHJMXOKFB-UHFFFAOYSA-N 1 0 384.318 2.478 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC000461891496 650461767 /nfs/dbraw/zinc/46/17/67/650461767.db2.gz WNQOYYQFOBULDR-GXTWGEPZSA-N 1 0 389.315 2.124 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000461887850 650461785 /nfs/dbraw/zinc/46/17/85/650461785.db2.gz FWXYSZOFDATUSP-LSDHHAIUSA-N 1 0 378.416 2.294 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1Cl ZINC000461896316 650462057 /nfs/dbraw/zinc/46/20/57/650462057.db2.gz GBRXFWDZTWVWOD-LLVKDONJSA-N 1 0 397.722 2.469 20 0 GEADRO CC(C)[NH+](CCN(C)C(=O)CS(=O)(=O)NC1CCC(C)CC1)C(C)C ZINC000507538628 650462389 /nfs/dbraw/zinc/46/23/89/650462389.db2.gz ZCGCMAKRDHNODJ-UHFFFAOYSA-N 1 0 375.579 2.062 20 0 GEADRO C[C@H]1C[N@H+](CCCNC(=O)Cc2ccc(Br)cc2O)CCCO1 ZINC000507565761 650463177 /nfs/dbraw/zinc/46/31/77/650463177.db2.gz JZOCNCXZZHCWLJ-ZDUSSCGKSA-N 1 0 385.302 2.314 20 0 GEADRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(Br)c1 ZINC000462047532 650464805 /nfs/dbraw/zinc/46/48/05/650464805.db2.gz OXZKHQBDBFBIMZ-DOMZBBRYSA-N 1 0 382.302 2.009 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc1OCC ZINC000507833083 650467583 /nfs/dbraw/zinc/46/75/83/650467583.db2.gz IYUKXFKEWPHRME-CQSZACIVSA-N 1 0 391.917 2.431 20 0 GEADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C)C[C@H]1C ZINC000508178173 650476647 /nfs/dbraw/zinc/47/66/47/650476647.db2.gz QBOJQKLYWRYRSA-CYBMUJFWSA-N 1 0 394.317 2.402 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1cnn(-c2cc(Cl)ccc2OC)c1 ZINC000462483186 650481682 /nfs/dbraw/zinc/48/16/82/650481682.db2.gz JRSLXCZAZSOCIL-UHFFFAOYSA-N 1 0 386.905 2.154 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000462527498 650482934 /nfs/dbraw/zinc/48/29/34/650482934.db2.gz SLYIMIIECBGTDY-UHFFFAOYSA-N 1 0 386.901 2.279 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCCC(F)(F)F)c1 ZINC000462759369 650490389 /nfs/dbraw/zinc/49/03/89/650490389.db2.gz ZVDVFGMNHWOQEL-UHFFFAOYSA-N 1 0 381.420 2.198 20 0 GEADRO O=C(NCC[NH+]1CCC1)NCc1ccc(I)c(Cl)c1 ZINC000508982992 650485362 /nfs/dbraw/zinc/48/53/62/650485362.db2.gz RRUAJRCGNJZOCC-UHFFFAOYSA-N 1 0 393.656 2.450 20 0 GEADRO CSc1cccc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000509205838 650489911 /nfs/dbraw/zinc/48/99/11/650489911.db2.gz PCXIYAGYAOHYHW-UHFFFAOYSA-N 1 0 381.523 2.222 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)c1ccsc1 ZINC000462755156 650490201 /nfs/dbraw/zinc/49/02/01/650490201.db2.gz KUPUFXZQNGEZRU-CYBMUJFWSA-N 1 0 381.523 2.330 20 0 GEADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000509296119 650492759 /nfs/dbraw/zinc/49/27/59/650492759.db2.gz ZIUVXPXXCGUWLG-ZDUSSCGKSA-N 1 0 376.425 2.302 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(Br)cc1OCCCO ZINC000463370589 650494383 /nfs/dbraw/zinc/49/43/83/650494383.db2.gz WYFWLYXHRBRKJK-DZGCQCFKSA-N 1 0 398.301 2.119 20 0 GEADRO C[N@H+](CCc1cccc(Br)c1)CC(=O)NCCCN1CCCC1=O ZINC000463413786 650495166 /nfs/dbraw/zinc/49/51/66/650495166.db2.gz IHNQMERNDCPNMJ-UHFFFAOYSA-N 1 0 396.329 2.052 20 0 GEADRO Cc1cc(N2CCC[C@@H]([NH2+]C[C@H]3CN(C)CCO3)C2=O)ccc1Br ZINC000463408332 650495174 /nfs/dbraw/zinc/49/51/74/650495174.db2.gz DGQGXPOTUUFINM-DOTOQJQBSA-N 1 0 396.329 2.173 20 0 GEADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)C[C@H](C)C(=O)OC)c1ccc(Cl)cc1 ZINC000509623117 650497378 /nfs/dbraw/zinc/49/73/78/650497378.db2.gz DPGHYSUUWNQMFA-BBRMVZONSA-N 1 0 390.933 2.451 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000509930360 650503717 /nfs/dbraw/zinc/50/37/17/650503717.db2.gz NENWNJDZOCGILF-UHFFFAOYSA-N 1 0 396.329 2.369 20 0 GEADRO Cn1cc(Br)c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000509780739 650500611 /nfs/dbraw/zinc/50/06/11/650500611.db2.gz BIFMPORSEAGFRY-AWEZNQCLSA-N 1 0 377.286 2.435 20 0 GEADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCC(F)(F)CO)CC1 ZINC000467098394 650502639 /nfs/dbraw/zinc/50/26/39/650502639.db2.gz ZTLUJELGKDSSQV-UHFFFAOYSA-N 1 0 376.835 2.231 20 0 GEADRO CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000510078780 650506695 /nfs/dbraw/zinc/50/66/95/650506695.db2.gz LRUPMXFOTPPMFB-WDEREUQCSA-N 1 0 376.238 2.321 20 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PDNCEHQLWQMOTF-UHFFFAOYSA-N 1 0 393.285 2.380 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000473990720 650526423 /nfs/dbraw/zinc/52/64/23/650526423.db2.gz AFPRCERPEVJLOE-HZPDHXFCSA-N 1 0 396.329 2.290 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C[C@@H]1C ZINC000475386128 650532405 /nfs/dbraw/zinc/53/24/05/650532405.db2.gz AKCPARLTLWYNIH-DUVNUKRYSA-N 1 0 386.286 2.320 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000511563390 650538817 /nfs/dbraw/zinc/53/88/17/650538817.db2.gz BJSJDEXNQXCNGL-HZPDHXFCSA-N 1 0 385.302 2.132 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000475795256 650538875 /nfs/dbraw/zinc/53/88/75/650538875.db2.gz JJBGNYQFKQTHMX-UHFFFAOYSA-N 1 0 390.933 2.472 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000476502642 650551828 /nfs/dbraw/zinc/55/18/28/650551828.db2.gz FLFIMABPXDPHHD-NWDGAFQWSA-N 1 0 397.335 2.254 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)[C@@H](C)C[N@@H+]1C ZINC000512083713 650545143 /nfs/dbraw/zinc/54/51/43/650545143.db2.gz LOGKIJWFHFHGES-RDBSUJKOSA-N 1 0 394.313 2.353 20 0 GEADRO CN(C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@@H]1CCSC1 ZINC000512746998 650553552 /nfs/dbraw/zinc/55/35/52/650553552.db2.gz AOTTXGXIYQBNER-FMKPAKJESA-N 1 0 381.567 2.211 20 0 GEADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cs1 ZINC000512834518 650555106 /nfs/dbraw/zinc/55/51/06/650555106.db2.gz SFGUNOAKMJJBPT-FSDCSDTHSA-N 1 0 389.562 2.309 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000512971716 650555465 /nfs/dbraw/zinc/55/54/65/650555465.db2.gz KOWJBSMFJSIBJM-CYBMUJFWSA-N 1 0 379.295 2.492 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000512971460 650555577 /nfs/dbraw/zinc/55/55/77/650555577.db2.gz GOGKBGGQTJFIIU-GFCCVEGCSA-N 1 0 379.295 2.492 20 0 GEADRO COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000513012710 650556242 /nfs/dbraw/zinc/55/62/42/650556242.db2.gz SACQXTSXQKXIIB-CYBMUJFWSA-N 1 0 378.441 2.200 20 0 GEADRO C[C@@H]1CN(C(=O)COc2cccc(I)c2)C[C@H](C)[N@H+]1C ZINC000513103166 650557905 /nfs/dbraw/zinc/55/79/05/650557905.db2.gz RMJMRGBNOAAUAF-TXEJJXNPSA-N 1 0 388.249 2.221 20 0 GEADRO C[NH+](C)CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000476819010 650560749 /nfs/dbraw/zinc/56/07/49/650560749.db2.gz HLQDSMAUSQCNEH-CYBMUJFWSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000476862139 650561432 /nfs/dbraw/zinc/56/14/32/650561432.db2.gz VBFPZHDILCTJKC-OLZOCXBDSA-N 1 0 387.293 2.434 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000476862608 650561665 /nfs/dbraw/zinc/56/16/65/650561665.db2.gz VYXZKVQDFGWLCJ-YOEHRIQHSA-N 1 0 383.323 2.078 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCCn2cc(Br)cn2)C1 ZINC000513591320 650565413 /nfs/dbraw/zinc/56/54/13/650565413.db2.gz FGSMPDDZHFPLMZ-HNNXBMFYSA-N 1 0 398.349 2.409 20 0 GEADRO C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CCN(CCO)CC1 ZINC000513568140 650565053 /nfs/dbraw/zinc/56/50/53/650565053.db2.gz KRIXVXJRQZUUQI-UHFFFAOYSA-N 1 0 385.302 2.109 20 0 GEADRO C[N@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513965623 650572377 /nfs/dbraw/zinc/57/23/77/650572377.db2.gz BZFQJWTZAJTAIH-ZDUSSCGKSA-N 1 0 391.331 2.041 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CC[NH+](C2CCCC2)CC1 ZINC000513613116 650566347 /nfs/dbraw/zinc/56/63/47/650566347.db2.gz ARIWBQIPWMYQPL-UHFFFAOYSA-N 1 0 384.322 2.306 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000477030835 650566722 /nfs/dbraw/zinc/56/67/22/650566722.db2.gz GAVQKSQKOJPJFR-NSHDSACASA-N 1 0 390.347 2.016 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000477030512 650566747 /nfs/dbraw/zinc/56/67/47/650566747.db2.gz FLZCNULAVJHTTM-VHSXEESVSA-N 1 0 380.436 2.186 20 0 GEADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCF)s1)N1CCOCC1 ZINC000513656658 650567221 /nfs/dbraw/zinc/56/72/21/650567221.db2.gz WEPPBCXCQMUYMA-HIFRSBDPSA-N 1 0 376.519 2.387 20 0 GEADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000514100734 650573478 /nfs/dbraw/zinc/57/34/78/650573478.db2.gz AUICOTUVSMHCIE-CZUORRHYSA-N 1 0 375.922 2.154 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000477298135 650573722 /nfs/dbraw/zinc/57/37/22/650573722.db2.gz KJFANYGOBQCGPA-GFCCVEGCSA-N 1 0 382.302 2.155 20 0 GEADRO C[C@@H](CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1ccc(Br)cc1 ZINC000514614572 650575057 /nfs/dbraw/zinc/57/50/57/650575057.db2.gz LMPWHFRRADHXQX-STQMWFEESA-N 1 0 384.318 2.125 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@@H]1SC ZINC000514658802 650575972 /nfs/dbraw/zinc/57/59/72/650575972.db2.gz YWRRFPDQTBIOHY-KQTLUZQSSA-N 1 0 390.596 2.400 20 0 GEADRO O=C1[C@H](N2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000514726536 650577905 /nfs/dbraw/zinc/57/79/05/650577905.db2.gz CZEOSCUEGFOBSN-RHSMWYFYSA-N 1 0 383.323 2.078 20 0 GEADRO CC(C)(CNc1ncc(Br)cc1S(N)(=O)=O)C[NH+]1CCCC1 ZINC000478049600 650581986 /nfs/dbraw/zinc/58/19/86/650581986.db2.gz XBWVWQSXMRALMH-UHFFFAOYSA-N 1 0 391.335 2.025 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1Br ZINC000514888905 650582686 /nfs/dbraw/zinc/58/26/86/650582686.db2.gz WMQJLMXZOSAFQV-CQSZACIVSA-N 1 0 390.347 2.200 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000514945487 650584293 /nfs/dbraw/zinc/58/42/93/650584293.db2.gz MEQSEBSJQBWUSY-MRXNPFEDSA-N 1 0 375.296 2.329 20 0 GEADRO C[N@H+](C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000515101172 650586795 /nfs/dbraw/zinc/58/67/95/650586795.db2.gz VQLLVXKQPKEXNH-SJKOYZFVSA-N 1 0 386.279 2.216 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCS1 ZINC000515015247 650584689 /nfs/dbraw/zinc/58/46/89/650584689.db2.gz QMLLNIXXJCPMRO-CZUORRHYSA-N 1 0 383.945 2.413 20 0 GEADRO CC(C)c1nnc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1C ZINC000515058041 650585738 /nfs/dbraw/zinc/58/57/38/650585738.db2.gz FWCBPTVGFYQJGS-INIZCTEOSA-N 1 0 380.290 2.191 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000515234271 650590181 /nfs/dbraw/zinc/59/01/81/650590181.db2.gz GFIWMHJYQJOYOJ-JLJPHGGASA-N 1 0 387.318 2.030 20 0 GEADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000479081327 650595936 /nfs/dbraw/zinc/59/59/36/650595936.db2.gz XJJLMWNASHILSZ-WBMJQRKESA-N 1 0 386.323 2.497 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000516366943 650596862 /nfs/dbraw/zinc/59/68/62/650596862.db2.gz KLZRXPYHCIOJQW-NSHDSACASA-N 1 0 376.320 2.309 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CN1CCCC1=O)c1ccc(Br)cn1 ZINC000516573845 650599501 /nfs/dbraw/zinc/59/95/01/650599501.db2.gz FSFGGDLSDBTJDC-UHFFFAOYSA-N 1 0 397.317 2.141 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000517038258 650601973 /nfs/dbraw/zinc/60/19/73/650601973.db2.gz QNWXTDNNZPTFHZ-WCXIOVBPSA-N 1 0 384.929 2.115 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000517038255 650601988 /nfs/dbraw/zinc/60/19/88/650601988.db2.gz QNWXTDNNZPTFHZ-LTIDMASMSA-N 1 0 384.929 2.115 20 0 GEADRO C[C@H](CNC(=O)NCCCn1cc(Br)cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000479381106 650602436 /nfs/dbraw/zinc/60/24/36/650602436.db2.gz JJMARDPPAOTPCN-UONOGXRCSA-N 1 0 386.338 2.455 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000518188029 650602562 /nfs/dbraw/zinc/60/25/62/650602562.db2.gz BLHIRILDMIQRTO-ZDUSSCGKSA-N 1 0 399.925 2.144 20 0 GEADRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479459073 650604093 /nfs/dbraw/zinc/60/40/93/650604093.db2.gz VKSPKGPCJZCACW-OTYXRUKQSA-N 1 0 397.324 2.079 20 0 GEADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479459736 650604127 /nfs/dbraw/zinc/60/41/27/650604127.db2.gz XBTOBHJKOWPKAB-QCZZGDTMSA-N 1 0 397.324 2.485 20 0 GEADRO CCC(CC)NS(=O)(=O)c1ccc(NC[C@]2([NH+](C)C)CCSC2)nc1 ZINC000479478054 650604442 /nfs/dbraw/zinc/60/44/42/650604442.db2.gz MOMTXRNPSZFQOH-QGZVFWFLSA-N 1 0 386.587 2.398 20 0 GEADRO C[C@@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000518398184 650604678 /nfs/dbraw/zinc/60/46/78/650604678.db2.gz WHQGMCWYRYBPHY-MRVPVSSYSA-N 1 0 394.672 2.038 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000479964661 650613693 /nfs/dbraw/zinc/61/36/93/650613693.db2.gz IZONFMURJFPSGG-KGLIPLIRSA-N 1 0 396.329 2.416 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CCNS(=O)(=O)c1cccs1)C1CCCCC1 ZINC000518783303 650607682 /nfs/dbraw/zinc/60/76/82/650607682.db2.gz GNZSTDXXCFJCFS-OAHLLOKOSA-N 1 0 387.571 2.043 20 0 GEADRO C[NH+](C)CCn1nnnc1SCc1cc2c(cc1Br)OCO2 ZINC000479666486 650607844 /nfs/dbraw/zinc/60/78/44/650607844.db2.gz NEOQIJNVTYFQHX-UHFFFAOYSA-N 1 0 386.275 2.018 20 0 GEADRO OCCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000519608401 650609307 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CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[NH+]2CCCC2)c1 ZINC000055177524 642768412 /nfs/dbraw/zinc/76/84/12/642768412.db2.gz HPZUHADUGAJVBY-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000491600489 650787703 /nfs/dbraw/zinc/78/77/03/650787703.db2.gz CMXCJFDWHZOTFR-HIFRSBDPSA-N 1 0 378.489 2.327 20 0 GEADRO C[N@H+](CCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)C1CC1 ZINC000491837196 650788849 /nfs/dbraw/zinc/78/88/49/650788849.db2.gz JKHZWVWIJNQQQP-UHFFFAOYSA-N 1 0 393.289 2.128 20 0 GEADRO Cn1ccnc1[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000491062761 650782829 /nfs/dbraw/zinc/78/28/29/650782829.db2.gz WWLBGDBVZLJZMX-INIZCTEOSA-N 1 0 382.917 2.177 20 0 GEADRO CC(C)Oc1cc(Br)ccc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000057031365 642801377 /nfs/dbraw/zinc/80/13/77/642801377.db2.gz AZTVMOQNWKKVSP-UHFFFAOYSA-N 1 0 384.318 2.214 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000491089714 650783320 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CC(C)([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000057846474 642819525 /nfs/dbraw/zinc/81/95/25/642819525.db2.gz SFHOKDJXMKUEBO-UHFFFAOYSA-N 1 0 381.885 2.451 20 0 GEADRO CC[NH+]1CCC(CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000058853119 642829634 /nfs/dbraw/zinc/82/96/34/642829634.db2.gz FEXNJQWDHUMSRF-HNNXBMFYSA-N 1 0 379.448 2.440 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC000061210471 642841577 /nfs/dbraw/zinc/84/15/77/642841577.db2.gz BDKHMRFIVJHHLB-UHFFFAOYSA-N 1 0 379.869 2.101 20 0 GEADRO CCCCNC(=S)N(CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000061252580 642842307 /nfs/dbraw/zinc/84/23/07/642842307.db2.gz HQDREBSGVQGYTN-MRXNPFEDSA-N 1 0 377.620 2.269 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000062505174 642848545 /nfs/dbraw/zinc/84/85/45/642848545.db2.gz KVYFYPIEJQKPQI-ZDUSSCGKSA-N 1 0 384.322 2.016 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000492350160 650790678 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O=S(=O)(CC[NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1 ZINC000065935827 642892709 /nfs/dbraw/zinc/89/27/09/642892709.db2.gz FPACHKSGBNHHRD-UHFFFAOYSA-N 1 0 376.869 2.484 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000066125011 642898527 /nfs/dbraw/zinc/89/85/27/642898527.db2.gz WJNMHRKUDGCHKI-JTQLQIEISA-N 1 0 376.320 2.087 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[N@H+](C)Cc2cc(Br)cs2)C[C@@H](C)O1 ZINC000066483295 642916324 /nfs/dbraw/zinc/91/63/24/642916324.db2.gz KSHVKZDFHXJELQ-YRGRVCCFSA-N 1 0 377.348 2.413 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000066652519 642931380 /nfs/dbraw/zinc/93/13/80/642931380.db2.gz TZBHCNDRUQVOOH-HUUCEWRRSA-N 1 0 384.567 2.419 20 0 GEADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000493980250 650800153 /nfs/dbraw/zinc/80/01/53/650800153.db2.gz VUWGMNVPTMQOQK-INMHGKMJSA-N 1 0 383.330 2.350 20 0 GEADRO COCCO[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000536373915 650801538 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DLBPWKQGTMHDBJ-AWEZNQCLSA-N 1 0 382.346 2.479 20 0 GEADRO CC[N@H+](CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CC1 ZINC000101957437 643118918 /nfs/dbraw/zinc/11/89/18/643118918.db2.gz PWLXXRWBSVVFOI-CQSZACIVSA-N 1 0 394.313 2.403 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000101954270 643119102 /nfs/dbraw/zinc/11/91/02/643119102.db2.gz RDGJNONEOQTIOF-UHFFFAOYSA-N 1 0 389.949 2.487 20 0 GEADRO CCn1c(C)nn(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c1=S ZINC000102392740 643125757 /nfs/dbraw/zinc/12/57/57/643125757.db2.gz CEZDOOVQMROZDY-UHFFFAOYSA-N 1 0 381.468 2.287 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)CSc2nnc(-c3cccs3)n2C)C1 ZINC000102635860 643130447 /nfs/dbraw/zinc/13/04/47/643130447.db2.gz NUQZAGIQXRVJLM-CYBMUJFWSA-N 1 0 379.555 2.484 20 0 GEADRO CC(C)N(CCCNC(=O)C[N@H+](C(C)C)C1CCCCC1)S(C)(=O)=O ZINC000102768578 643137803 /nfs/dbraw/zinc/13/78/03/643137803.db2.gz UKUCSNNYMZPXGB-UHFFFAOYSA-N 1 0 375.579 2.206 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cs1 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CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)COc2ccccc2Br)CC1 ZINC000166540186 644276551 /nfs/dbraw/zinc/27/65/51/644276551.db2.gz XQYNAWMNMPBSJO-OAHLLOKOSA-N 1 0 399.329 2.425 20 0 GEADRO COC(=O)[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000543308901 650906419 /nfs/dbraw/zinc/90/64/19/650906419.db2.gz VTRACHVDNXVFKB-IAQYHMDHSA-N 1 0 389.279 2.292 20 0 GEADRO C[NH+]1CCC(CCNC(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000170899351 644295789 /nfs/dbraw/zinc/29/57/89/644295789.db2.gz QQCQDUMNBYAJIZ-UHFFFAOYSA-N 1 0 397.317 2.419 20 0 GEADRO C[C@@H](NC(=[NH2+])NCCC(=O)N1CCN(C)CC1)c1ccc(Cl)cc1Cl ZINC000170912786 644296665 /nfs/dbraw/zinc/29/66/65/644296665.db2.gz FLWMALQDMNWUPK-GFCCVEGCSA-N 1 0 386.327 2.123 20 0 GEADRO Cc1cc(I)cc(C(=O)NCCOCC[NH+](C)C)c1C ZINC000543387718 650908793 /nfs/dbraw/zinc/90/87/93/650908793.db2.gz DOBHHLRNCDTPLH-UHFFFAOYSA-N 1 0 390.265 2.216 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000171147416 644314163 /nfs/dbraw/zinc/31/41/63/644314163.db2.gz JLZLCYTUWHZDBD-CQSZACIVSA-N 1 0 377.312 2.122 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171144709 644314350 /nfs/dbraw/zinc/31/43/50/644314350.db2.gz AVESPNLFQLTUHX-HNNXBMFYSA-N 1 0 397.313 2.492 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000171356339 644319973 /nfs/dbraw/zinc/31/99/73/644319973.db2.gz BKTSXFQCWVRNDB-GDBMZVCRSA-N 1 0 381.318 2.421 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000171560075 644327221 /nfs/dbraw/zinc/32/72/21/644327221.db2.gz JMQHJZRDRDIZRH-UHFFFAOYSA-N 1 0 388.331 2.137 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000172835506 644345546 /nfs/dbraw/zinc/34/55/46/644345546.db2.gz OFZKSGIXNHXMNZ-CYBMUJFWSA-N 1 0 387.933 2.195 20 0 GEADRO COC(=O)CC[N@H+](CC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000173999803 644365773 /nfs/dbraw/zinc/36/57/73/644365773.db2.gz JHVLLYSORWDMDX-UHFFFAOYSA-N 1 0 399.285 2.432 20 0 GEADRO COC(=O)c1c(F)ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1F ZINC000173993523 644365873 /nfs/dbraw/zinc/36/58/73/644365873.db2.gz KYENVSMZIHEKRK-UHFFFAOYSA-N 1 0 378.441 2.149 20 0 GEADRO CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)CSCC[NH+](CC)CC)C1 ZINC000174647318 644378443 /nfs/dbraw/zinc/37/84/43/644378443.db2.gz RTBSRBTUACCUTN-AWEZNQCLSA-N 1 0 385.603 2.368 20 0 GEADRO CC(C)C[NH+]1CCN(Cn2nc(Br)nc2Br)CC1 ZINC000175232157 644387097 /nfs/dbraw/zinc/38/70/97/644387097.db2.gz CHXQXNWTZVXQDT-UHFFFAOYSA-N 1 0 381.116 2.034 20 0 GEADRO COc1nc(N2CC[NH+](CC3(O)CCCCC3)CC2)ncc1Br ZINC000176922990 644407047 /nfs/dbraw/zinc/40/70/47/644407047.db2.gz SAZDLUDEEDOJAH-UHFFFAOYSA-N 1 0 385.306 2.065 20 0 GEADRO C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC000177652394 644422810 /nfs/dbraw/zinc/42/28/10/644422810.db2.gz OGQQMKNXKLDNBD-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CCC[N@H+]3C)nc12 ZINC000543697550 650920272 /nfs/dbraw/zinc/92/02/72/650920272.db2.gz MONQVSGSEWDUDX-HNNXBMFYSA-N 1 0 394.317 2.341 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CC[C@@H](C[NH3+])C3)[nH]c(=O)c2c1C ZINC000178550795 644434593 /nfs/dbraw/zinc/43/45/93/644434593.db2.gz JZCMUDBUEMDNIS-RYUDHWBXSA-N 1 0 380.539 2.030 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000178888039 644442861 /nfs/dbraw/zinc/44/28/61/644442861.db2.gz LVPCWCLKPSSWMX-VIFPVBQESA-N 1 0 382.711 2.118 20 0 GEADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000178925631 644444842 /nfs/dbraw/zinc/44/48/42/644444842.db2.gz ZTHWEMOKQPWLTM-QMMMGPOBSA-N 1 0 382.711 2.245 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000178964998 644447725 /nfs/dbraw/zinc/44/77/25/644447725.db2.gz RTJTZFPXBXSHNH-PSASIEDQSA-N 1 0 382.711 2.293 20 0 GEADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1scc(Br)c1Br ZINC000178957967 644447770 /nfs/dbraw/zinc/44/77/70/644447770.db2.gz FZEBVRIBPZTKIH-YFKPBYRVSA-N 1 0 392.138 2.241 20 0 GEADRO O=C(Nc1ccncc1Br)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000543740821 650922604 /nfs/dbraw/zinc/92/26/04/650922604.db2.gz FTTHYMFJIXKWBZ-UHFFFAOYSA-N 1 0 390.285 2.447 20 0 GEADRO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1nc(Br)c(=O)c2ccccc21 ZINC000179383082 644458266 /nfs/dbraw/zinc/45/82/66/644458266.db2.gz YCJCXNSSDSTIGY-NSHDSACASA-N 1 0 380.242 2.144 20 0 GEADRO CCC1(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCOCC1 ZINC000543770540 650923437 /nfs/dbraw/zinc/92/34/37/650923437.db2.gz CPEOFVRLGTVRFP-UHFFFAOYSA-N 1 0 388.555 2.065 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179695099 644467912 /nfs/dbraw/zinc/46/79/12/644467912.db2.gz OBMGTNIREZETRX-UHFFFAOYSA-N 1 0 391.331 2.314 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179703066 644468934 /nfs/dbraw/zinc/46/89/34/644468934.db2.gz LQXSTBXZSXHYMC-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO OC[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1cccc(Br)c1 ZINC000543838242 650925969 /nfs/dbraw/zinc/92/59/69/650925969.db2.gz DIAALPYNMKBBBR-MRXNPFEDSA-N 1 0 388.269 2.291 20 0 GEADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)CCS(C)(=O)=O)CC1 ZINC000543908655 650927556 /nfs/dbraw/zinc/92/75/56/650927556.db2.gz LDPIQGCHBKMGML-MRXNPFEDSA-N 1 0 375.579 2.353 20 0 GEADRO [NH3+]CCCCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000181057592 644521628 /nfs/dbraw/zinc/52/16/28/644521628.db2.gz PPARLZIHGXOFSN-UHFFFAOYSA-N 1 0 382.302 2.156 20 0 GEADRO O=C(NCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccn[nH]1 ZINC000181143227 644526405 /nfs/dbraw/zinc/52/64/05/644526405.db2.gz CVSYALWMRXRJTK-UHFFFAOYSA-N 1 0 389.257 2.082 20 0 GEADRO CN(CC[NH2+]C1CCN(c2nccs2)CC1)S(=O)(=O)c1cccs1 ZINC000181504163 644539779 /nfs/dbraw/zinc/53/97/79/644539779.db2.gz JWHLMEFYJLNGEG-UHFFFAOYSA-N 1 0 386.568 2.084 20 0 GEADRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc([S@@](C)=O)cc1 ZINC000181503957 644539997 /nfs/dbraw/zinc/53/99/97/644539997.db2.gz UKEJPMANLZRKAZ-JCQPUDPBSA-N 1 0 386.564 2.457 20 0 GEADRO CC(C)(C)OC(=O)CCCC[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000544133456 650935839 /nfs/dbraw/zinc/93/58/39/650935839.db2.gz XULQKOOCVIGKKL-JKSUJKDBSA-N 1 0 375.531 2.167 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc(Br)c2F)C[C@@H]1[NH+](C)C ZINC000544351380 650939944 /nfs/dbraw/zinc/93/99/44/650939944.db2.gz QSNMFLCBJKPNDR-QWRGUYRKSA-N 1 0 397.335 2.254 20 0 GEADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)C(C)C ZINC000544414667 650941352 /nfs/dbraw/zinc/94/13/52/650941352.db2.gz BQBDZKQCDDHFNX-ZDUSSCGKSA-N 1 0 376.238 2.490 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)sc1C ZINC000544672686 650949508 /nfs/dbraw/zinc/94/95/08/650949508.db2.gz VQBYIMVGFVDPNY-UHFFFAOYSA-N 1 0 385.599 2.403 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccncc2I)C[C@@H]1C ZINC000544792824 650953971 /nfs/dbraw/zinc/95/39/71/650953971.db2.gz CFTOELMETFCHTH-QWRGUYRKSA-N 1 0 388.253 2.055 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000545154747 650962890 /nfs/dbraw/zinc/96/28/90/650962890.db2.gz VIWFEEIQADZTPO-QGZVFWFLSA-N 1 0 385.302 2.181 20 0 GEADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000182164498 644958840 /nfs/dbraw/zinc/95/88/40/644958840.db2.gz FWFPNCNEXMVSGK-WBMJQRKESA-N 1 0 382.507 2.192 20 0 GEADRO Cc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cnc1Br ZINC000182447887 644963126 /nfs/dbraw/zinc/96/31/26/644963126.db2.gz JICNJOYDLFVXMJ-ZDUSSCGKSA-N 1 0 383.290 2.339 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cnc1Br ZINC000182681373 644967051 /nfs/dbraw/zinc/96/70/51/644967051.db2.gz VUHLUDJCVNRMOO-AAEUAGOBSA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+](C)CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CCC1 ZINC000545252170 650966771 /nfs/dbraw/zinc/96/67/71/650966771.db2.gz ASVFGXWMYXLHTN-CYBMUJFWSA-N 1 0 394.313 2.403 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000183151774 644981707 /nfs/dbraw/zinc/98/17/07/644981707.db2.gz YFTIUHIDYKBINB-GFCCVEGCSA-N 1 0 389.315 2.414 20 0 GEADRO COC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000545301262 650968266 /nfs/dbraw/zinc/96/82/66/650968266.db2.gz XXFLMYYGGCSPMO-GFCCVEGCSA-N 1 0 382.096 2.281 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(Br)nc2)CC1 ZINC000184527141 645019186 /nfs/dbraw/zinc/01/91/86/645019186.db2.gz MYXVFDKZNAXRGH-UHFFFAOYSA-N 1 0 384.322 2.382 20 0 GEADRO Cc1ccsc1S(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000545366783 650971482 /nfs/dbraw/zinc/97/14/82/650971482.db2.gz QWCMYAIBYYIUIB-QGZVFWFLSA-N 1 0 380.535 2.492 20 0 GEADRO CCOCC[NH+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000185001357 645032042 /nfs/dbraw/zinc/03/20/42/645032042.db2.gz CFNMRNILJTWJJH-INIZCTEOSA-N 1 0 375.282 2.276 20 0 GEADRO C[N@H+](CCNC(=O)c1ncc(Br)cc1Br)C1CC1 ZINC000545395154 650973048 /nfs/dbraw/zinc/97/30/48/650973048.db2.gz ZSLISYBAEBOVQD-UHFFFAOYSA-N 1 0 377.080 2.431 20 0 GEADRO Cc1cc(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c(Cl)cc1F ZINC000185432390 645044900 /nfs/dbraw/zinc/04/49/00/645044900.db2.gz VRIHPKKTSJINII-UHFFFAOYSA-N 1 0 391.940 2.482 20 0 GEADRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000186030880 645058061 /nfs/dbraw/zinc/05/80/61/645058061.db2.gz VGXBTVIKMCIGQG-NHYWBVRUSA-N 1 0 398.301 2.432 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000186377027 645065963 /nfs/dbraw/zinc/06/59/63/645065963.db2.gz YFPIXQSFZBWEBO-MRXNPFEDSA-N 1 0 392.297 2.090 20 0 GEADRO COC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000186381597 645066511 /nfs/dbraw/zinc/06/65/11/645066511.db2.gz ALMMUJKSENONPC-LLVKDONJSA-N 1 0 399.289 2.239 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186728176 645072561 /nfs/dbraw/zinc/07/25/61/645072561.db2.gz YMVMOUZYGSWRBK-ZNMIVQPWSA-N 1 0 384.567 2.465 20 0 GEADRO Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cnc1Br ZINC000186758066 645074752 /nfs/dbraw/zinc/07/47/52/645074752.db2.gz AENCWNXUWODLKT-LBPRGKRZSA-N 1 0 385.306 2.461 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000186763700 645075271 /nfs/dbraw/zinc/07/52/71/645075271.db2.gz GFIHFNFTCFWCPM-UHFFFAOYSA-N 1 0 378.270 2.457 20 0 GEADRO CN(CC[N@H+](C)C1CC1)CC(=O)Nc1ccc(I)cc1 ZINC000186765703 645075348 /nfs/dbraw/zinc/07/53/48/645075348.db2.gz UXYWEUKQCAUXOW-UHFFFAOYSA-N 1 0 387.265 2.256 20 0 GEADRO C[C@@H](NC(=O)C[N@H+](C)CC1(O)CCOCC1)c1ccc(Br)cc1 ZINC000187065380 645082232 /nfs/dbraw/zinc/08/22/32/645082232.db2.gz ISMBUZCLAMOQDT-CYBMUJFWSA-N 1 0 385.302 2.100 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000187168460 645083655 /nfs/dbraw/zinc/08/36/55/645083655.db2.gz BCPMHOZEBVTKQN-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO CSc1nnc(CCC[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)n1CC(C)C ZINC000187203885 645085288 /nfs/dbraw/zinc/08/52/88/645085288.db2.gz RYQJUIAPHMKBMJ-AWEZNQCLSA-N 1 0 388.603 2.392 20 0 GEADRO C[C@H]1CN(C(=O)COc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000188612790 645121110 /nfs/dbraw/zinc/12/11/10/645121110.db2.gz YRJFCNRWBRELQQ-ZDUSSCGKSA-N 1 0 385.302 2.132 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3nc(Br)cs3)cn2)CC1 ZINC000188754655 645124369 /nfs/dbraw/zinc/12/43/69/645124369.db2.gz QRIFEKJAINLKIL-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO CCC[C@H]1CN(S(=O)(=O)c2ccc(C)nc2Cl)CCN1CCOC ZINC000189785313 645141272 /nfs/dbraw/zinc/14/12/72/645141272.db2.gz IXBRVNPQWMFQBJ-AWEZNQCLSA-N 1 0 375.922 2.165 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000545871168 650983135 /nfs/dbraw/zinc/98/31/35/650983135.db2.gz UOBVYDQUDNDHDN-LLVKDONJSA-N 1 0 383.265 2.424 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ncc(Br)s1 ZINC000192435304 645206503 /nfs/dbraw/zinc/20/65/03/645206503.db2.gz ULBRDQJZNPTVCX-NEPJUHHUSA-N 1 0 388.331 2.403 20 0 GEADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000192581669 645211960 /nfs/dbraw/zinc/21/19/60/645211960.db2.gz YFNXPPQQRYOUFB-STQMWFEESA-N 1 0 382.302 2.179 20 0 GEADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CSCCS2)CC1 ZINC000192625459 645215534 /nfs/dbraw/zinc/21/55/34/645215534.db2.gz BDAHBUFZBQYIJE-SFHVURJKSA-N 1 0 379.595 2.289 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC(C)(C)c1cccs1 ZINC000192649624 645217825 /nfs/dbraw/zinc/21/78/25/645217825.db2.gz GDUXAVXGRHWGKJ-UHFFFAOYSA-N 1 0 384.571 2.379 20 0 GEADRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)N1 ZINC000192672863 645220236 /nfs/dbraw/zinc/22/02/36/645220236.db2.gz LFBKIEYCZGXWSI-QGZVFWFLSA-N 1 0 389.253 2.171 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000192685690 645221482 /nfs/dbraw/zinc/22/14/82/645221482.db2.gz XNXJLTSNBSEGFM-YGRLFVJLSA-N 1 0 379.295 2.396 20 0 GEADRO Cc1nccc(N2CCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CC2)n1 ZINC000192840305 645224555 /nfs/dbraw/zinc/22/45/55/645224555.db2.gz YTGXLZYLXXZALM-UHFFFAOYSA-N 1 0 384.864 2.230 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)ncc1Br ZINC000192844495 645225090 /nfs/dbraw/zinc/22/50/90/645225090.db2.gz CQYRXXHILGYKRK-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)ccc1Br ZINC000192844356 645225229 /nfs/dbraw/zinc/22/52/29/645225229.db2.gz VIWLVQKDDUJAOE-LBPRGKRZSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)ccc1Br ZINC000192859884 645226561 /nfs/dbraw/zinc/22/65/61/645226561.db2.gz RGLORGFNVAVPEV-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000192922899 645230183 /nfs/dbraw/zinc/23/01/83/645230183.db2.gz IKRWFWVDUDAFJE-NEPJUHHUSA-N 1 0 383.290 2.019 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000192940006 645233075 /nfs/dbraw/zinc/23/30/75/645233075.db2.gz APPHIHBFSCCHKK-UHFFFAOYSA-N 1 0 379.320 2.420 20 0 GEADRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccnn1C ZINC000193064597 645237146 /nfs/dbraw/zinc/23/71/46/645237146.db2.gz UXRBWUXURNWWPT-NSHDSACASA-N 1 0 377.388 2.443 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193091556 645240314 /nfs/dbraw/zinc/24/03/14/645240314.db2.gz QTAZXLCFYSJJHW-JHJVBQTASA-N 1 0 397.317 2.265 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000546165561 650993804 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RNTQCHRIZVBSQF-UHFFFAOYSA-N 1 0 375.210 2.484 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1Br ZINC000236654570 645416632 /nfs/dbraw/zinc/41/66/32/645416632.db2.gz HILZDMHFZLMERB-NHYWBVRUSA-N 1 0 389.315 2.448 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000236758412 645419180 /nfs/dbraw/zinc/41/91/80/645419180.db2.gz XMEZIUHMCLLKEM-UHFFFAOYSA-N 1 0 395.301 2.183 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CN1c2ccc(Br)cc2OCC1=O ZINC000236824954 645419393 /nfs/dbraw/zinc/41/93/93/645419393.db2.gz LJXFUXUSSCKKQA-CYBMUJFWSA-N 1 0 398.301 2.006 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000236797610 645419452 /nfs/dbraw/zinc/41/94/52/645419452.db2.gz MSGBXLZJTZZFSO-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000236937998 645420902 /nfs/dbraw/zinc/42/09/02/645420902.db2.gz YMYXVKNHSFKKBC-CYBMUJFWSA-N 1 0 387.933 2.372 20 0 GEADRO CC[C@@H](C[NH2+]Cc1cn(C)c(=O)n(C)c1=O)Cc1cccc(Br)c1 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GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c(Cl)cc1Cl ZINC000237201463 645426850 /nfs/dbraw/zinc/42/68/50/645426850.db2.gz NMUDKZCWAARWHS-VIFPVBQESA-N 1 0 381.281 2.200 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 ZINC000237363753 645428988 /nfs/dbraw/zinc/42/89/88/645428988.db2.gz IUUFURGZQLIGEV-SFHVURJKSA-N 1 0 389.297 2.367 20 0 GEADRO C[NH2+]CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000237351721 645429027 /nfs/dbraw/zinc/42/90/27/645429027.db2.gz MACIVEMOKRXOKQ-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO COc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000237376278 645429898 /nfs/dbraw/zinc/42/98/98/645429898.db2.gz DPJGZDWIJCOXRO-ZACCUICWSA-N 1 0 375.288 2.019 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1Cl ZINC000237399259 645430370 /nfs/dbraw/zinc/43/03/70/645430370.db2.gz CUZCOOKBIDZEEC-OTYXRUKQSA-N 1 0 377.869 2.328 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000237431773 645431756 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CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NCC[C@H](C)[NH3+] ZINC000262530816 645635762 /nfs/dbraw/zinc/63/57/62/645635762.db2.gz HWTMXTGZQZQSGG-WFASDCNBSA-N 1 0 399.333 2.271 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262601147 645639238 /nfs/dbraw/zinc/63/92/38/645639238.db2.gz OVNADKJZENNMSZ-CABCVRRESA-N 1 0 395.301 2.314 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000262611745 645639564 /nfs/dbraw/zinc/63/95/64/645639564.db2.gz WATZNYGBWXJFBP-IKGGRYGDSA-N 1 0 394.313 2.369 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000262624904 645640349 /nfs/dbraw/zinc/64/03/49/645640349.db2.gz KZPSLXWUIFBXLU-APHBMKBZSA-N 1 0 394.313 2.436 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000262618201 645640487 /nfs/dbraw/zinc/64/04/87/645640487.db2.gz IILBRBIQPRRYNV-BFHYXJOUSA-N 1 0 394.313 2.388 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262629643 645641197 /nfs/dbraw/zinc/64/11/97/645641197.db2.gz MBYMMDSUEDDOSH-YUELXQCFSA-N 1 0 392.297 2.155 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000262724248 645642365 /nfs/dbraw/zinc/64/23/65/645642365.db2.gz GOKWVJSMBREWOK-IINYFYTJSA-N 1 0 378.274 2.066 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000262725355 645642448 /nfs/dbraw/zinc/64/24/48/645642448.db2.gz GZYJFGNZXUJTSW-JVXZTZIISA-N 1 0 380.176 2.297 20 0 GEADRO CC1CCN(C(=[NH2+])NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000262781101 645645340 /nfs/dbraw/zinc/64/53/40/645645340.db2.gz LBIZXNBZXBLMPH-UHFFFAOYSA-N 1 0 376.885 2.014 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000264543976 645690729 /nfs/dbraw/zinc/69/07/29/645690729.db2.gz OCINDTMGOLBSKT-CQSZACIVSA-N 1 0 393.285 2.085 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2nccn2C)c1 ZINC000264551956 645691350 /nfs/dbraw/zinc/69/13/50/645691350.db2.gz DRSHFUSBBPMKPE-UHFFFAOYSA-N 1 0 381.274 2.101 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264567059 645692479 /nfs/dbraw/zinc/69/24/79/645692479.db2.gz RSKLFYNUYPMOSO-CYBMUJFWSA-N 1 0 377.539 2.382 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000264662493 645699903 /nfs/dbraw/zinc/69/99/03/645699903.db2.gz JJAZHFDXRJBJHB-UHFFFAOYSA-N 1 0 385.295 2.364 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1csc(Br)c1)NC[C@@H]1CCCCO1 ZINC000264761236 645712890 /nfs/dbraw/zinc/71/28/90/645712890.db2.gz TVCZNWDIGQQLNM-LBPRGKRZSA-N 1 0 397.360 2.089 20 0 GEADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264766089 645713296 /nfs/dbraw/zinc/71/32/96/645713296.db2.gz OUUKDWRNPIHJCL-OCCSQVGLSA-N 1 0 386.359 2.292 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CSCc1ccc(Br)cc1 ZINC000264769633 645714184 /nfs/dbraw/zinc/71/41/84/645714184.db2.gz PMJGRDAWAAFKAB-HNNXBMFYSA-N 1 0 386.359 2.044 20 0 GEADRO C[C@H](CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1)[NH+](C)C ZINC000264819214 645722224 /nfs/dbraw/zinc/72/22/24/645722224.db2.gz HEPAOLQGQVZACM-XUSGNXJCSA-N 1 0 375.332 2.403 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000264852950 645723618 /nfs/dbraw/zinc/72/36/18/645723618.db2.gz CGSCJUQWHOWSDT-QWHCGFSZSA-N 1 0 382.302 2.258 20 0 GEADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1Cc1ncc(Cl)s1 ZINC000547821681 651046739 /nfs/dbraw/zinc/04/67/39/651046739.db2.gz YCUBZICPCIFABX-KRWDZBQOSA-N 1 0 376.869 2.493 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCn3ccnc3C2)c2cc(Br)ccc21 ZINC000547655520 651041020 /nfs/dbraw/zinc/04/10/20/651041020.db2.gz PSXQCRPALGMHCD-JSGCOSHPSA-N 1 0 396.310 2.469 20 0 GEADRO CN(C(=O)Cc1ccc(S(N)(=O)=O)s1)C(C)(C)C[NH+]1CCCCCC1 ZINC000547664675 651041375 /nfs/dbraw/zinc/04/13/75/651041375.db2.gz OROBHIYYHOYIHB-UHFFFAOYSA-N 1 0 387.571 2.051 20 0 GEADRO C[NH+](C)C/C=C/C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000265613067 645780796 /nfs/dbraw/zinc/78/07/96/645780796.db2.gz FUEINFMTBSQALC-BPJJOFIESA-N 1 0 395.301 2.139 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000547794489 651045581 /nfs/dbraw/zinc/04/55/81/651045581.db2.gz DUOVPRXNCZYFOO-UHFFFAOYSA-N 1 0 383.539 2.464 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000265834412 645805462 /nfs/dbraw/zinc/80/54/62/645805462.db2.gz VNEQAKUSBJDVHQ-CQSZACIVSA-N 1 0 385.917 2.078 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=S)N=NC2c2cccs2)[C@@H](C)C1 ZINC000266110001 645825271 /nfs/dbraw/zinc/82/52/71/645825271.db2.gz USOCSMSYHWCXHZ-STQMWFEESA-N 1 0 379.555 2.484 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000266178852 645830446 /nfs/dbraw/zinc/83/04/46/645830446.db2.gz LJYGXFJLTDJVQX-UHFFFAOYSA-N 1 0 387.571 2.259 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266551514 645849379 /nfs/dbraw/zinc/84/93/79/645849379.db2.gz GKBOTFCMCUWUOE-LBPRGKRZSA-N 1 0 398.276 2.471 20 0 GEADRO C[C@H](CNC(=O)NCc1csc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000266672899 645857904 /nfs/dbraw/zinc/85/79/04/645857904.db2.gz BBXIDMOXMXLVTL-GFCCVEGCSA-N 1 0 389.363 2.193 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(Br)nc3)CC2)c1 ZINC000266892424 645864258 /nfs/dbraw/zinc/86/42/58/645864258.db2.gz SZOUUCLCBCFBJD-UHFFFAOYSA-N 1 0 377.242 2.210 20 0 GEADRO Cn1cc(Br)cc(NC(=O)c2ccccc2OCC[NH+](C)C)c1=O ZINC000267560061 645907702 /nfs/dbraw/zinc/90/77/02/645907702.db2.gz GGWANQJTSSJOIS-UHFFFAOYSA-N 1 0 394.269 2.341 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000267591068 645910861 /nfs/dbraw/zinc/91/08/61/645910861.db2.gz NWTRTWNCWWAMAC-LBPRGKRZSA-N 1 0 389.949 2.487 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2)C[N@@H+]1C1CC1 ZINC000267866886 645929446 /nfs/dbraw/zinc/92/94/46/645929446.db2.gz BZFBNCBWYNDVHL-MWLCHTKSSA-N 1 0 384.249 2.268 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000268129441 645946606 /nfs/dbraw/zinc/94/66/06/645946606.db2.gz CCYPUGDXWKNVCA-YMTOWFKASA-N 1 0 384.249 2.126 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1Cl ZINC000268226671 645955635 /nfs/dbraw/zinc/95/56/35/645955635.db2.gz XSCYNYBWHNOMLS-CYBMUJFWSA-N 1 0 386.901 2.376 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000268224215 645955722 /nfs/dbraw/zinc/95/57/22/645955722.db2.gz XAQAIQWAGLFRFJ-YMTOWFKASA-N 1 0 384.249 2.126 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000548043263 651062362 /nfs/dbraw/zinc/06/23/62/651062362.db2.gz BWQGJXFCDRGTTN-GFCCVEGCSA-N 1 0 382.507 2.451 20 0 GEADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CSCCS2)c1 ZINC000268556284 645977360 /nfs/dbraw/zinc/97/73/60/645977360.db2.gz DECFIVDIZONVEQ-INIZCTEOSA-N 1 0 381.567 2.432 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000268756690 645996193 /nfs/dbraw/zinc/99/61/93/645996193.db2.gz LVRROBLUUYCFHD-NWDGAFQWSA-N 1 0 389.315 2.191 20 0 GEADRO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000268871543 646001779 /nfs/dbraw/zinc/00/17/79/646001779.db2.gz UNAARFWGXOFJRD-WZRBSPASSA-N 1 0 379.238 2.044 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CN(C)CCN1C ZINC000268920754 646006393 /nfs/dbraw/zinc/00/63/93/646006393.db2.gz OSKZKHNTVAQGDD-CJNGLKHVSA-N 1 0 383.334 2.002 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nc3ccsc3s2)CC1 ZINC000268951832 646009581 /nfs/dbraw/zinc/00/95/81/646009581.db2.gz VNOROJAAGWGUDZ-GFCCVEGCSA-N 1 0 379.511 2.128 20 0 GEADRO [NH3+][C@H](Cc1ccccc1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000269052846 646012078 /nfs/dbraw/zinc/01/20/78/646012078.db2.gz NABFCPBAHUNZPL-OAHLLOKOSA-N 1 0 391.265 2.407 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)ccc1S(=O)(=O)C(F)F ZINC000269053699 646012178 /nfs/dbraw/zinc/01/21/78/646012178.db2.gz YHUMFKUYVXLADC-OUJBWJOFSA-N 1 0 383.482 2.455 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000269069255 646012659 /nfs/dbraw/zinc/01/26/59/646012659.db2.gz DUUNJTXMKHANBC-UHFFFAOYSA-N 1 0 377.819 2.253 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000269103130 646015629 /nfs/dbraw/zinc/01/56/29/646015629.db2.gz OQOIVEYLFPXZBE-LLVKDONJSA-N 1 0 375.803 2.053 20 0 GEADRO C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000269185282 646020939 /nfs/dbraw/zinc/02/09/39/646020939.db2.gz JHCDHCSMOCCWHS-VWYCJHECSA-N 1 0 388.331 2.133 20 0 GEADRO CC(C)(C)OC(=O)N1CCC([NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000269523384 646045284 /nfs/dbraw/zinc/04/52/84/646045284.db2.gz WKUKOFUTNTYSCO-UHFFFAOYSA-N 1 0 389.543 2.016 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000269648805 646047709 /nfs/dbraw/zinc/04/77/09/646047709.db2.gz ZFSKWQBZBKDQGR-UHFFFAOYSA-N 1 0 387.293 2.482 20 0 GEADRO CS[C@H](C)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000269794563 646059055 /nfs/dbraw/zinc/05/90/55/646059055.db2.gz HXTNZVJLZXHITF-CQSZACIVSA-N 1 0 381.567 2.084 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(Cl)c(Br)c1 ZINC000269959190 646076721 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COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000271018099 646166742 /nfs/dbraw/zinc/16/67/42/646166742.db2.gz INRDOYXZAOYICJ-UHFFFAOYSA-N 1 0 389.949 2.494 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2sccc2Br)C[C@H]1[NH+](C)C ZINC000271094631 646173373 /nfs/dbraw/zinc/17/33/73/646173373.db2.gz LIUCAGRJENQZCE-NXEZZACHSA-N 1 0 385.374 2.177 20 0 GEADRO CCCOc1c(Br)cc(C[N@H+](CCO)CCCO)cc1OC ZINC000271153003 646177923 /nfs/dbraw/zinc/17/79/23/646177923.db2.gz BZOGGKCNKLWOMZ-UHFFFAOYSA-N 1 0 376.291 2.423 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nccn3c(Br)cnc23)C1 ZINC000271390864 646199912 /nfs/dbraw/zinc/19/99/12/646199912.db2.gz LKBWJMXVXRAJLB-NEPJUHHUSA-N 1 0 378.274 2.048 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nccn3c(Br)cnc23)C1 ZINC000271390873 646200039 /nfs/dbraw/zinc/20/00/39/646200039.db2.gz LKBWJMXVXRAJLB-RYUDHWBXSA-N 1 0 378.274 2.048 20 0 GEADRO O=C(c1nccn2c(Br)cnc12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000271418012 646204419 /nfs/dbraw/zinc/20/44/19/646204419.db2.gz 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384.567 2.483 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1Br ZINC000280989433 646735386 /nfs/dbraw/zinc/73/53/86/646735386.db2.gz JOHPCRVMYIXYJA-MFKMUULPSA-N 1 0 398.276 2.434 20 0 GEADRO CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000281017200 646738025 /nfs/dbraw/zinc/73/80/25/646738025.db2.gz ZCDUUOZCAGDBQW-ZDUSSCGKSA-N 1 0 375.922 2.061 20 0 GEADRO C[NH+](C)C1(CNC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CCCC1 ZINC000281024980 646738480 /nfs/dbraw/zinc/73/84/80/646738480.db2.gz XYTIVVNSNKPIJI-AWEZNQCLSA-N 1 0 397.317 2.149 20 0 GEADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000281073419 646743366 /nfs/dbraw/zinc/74/33/66/646743366.db2.gz KWFQUHALLMAAQM-MRXNPFEDSA-N 1 0 379.258 2.457 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281104967 646746613 /nfs/dbraw/zinc/74/66/13/646746613.db2.gz LHGRPRZSCBQXEH-CKYFFXLPSA-N 1 0 377.304 2.315 20 0 GEADRO CSCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 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C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000289173816 646926233 /nfs/dbraw/zinc/92/62/33/646926233.db2.gz VJEPXDVNTUQCMA-LRDDRELGSA-N 1 0 394.313 2.006 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000289173818 646926322 /nfs/dbraw/zinc/92/63/22/646926322.db2.gz VJEPXDVNTUQCMA-WBMJQRKESA-N 1 0 394.313 2.006 20 0 GEADRO COc1ccc(CN(C)CCC[NH+]2CCN(C)CC2)c(Br)c1O ZINC000289383846 646932010 /nfs/dbraw/zinc/93/20/10/646932010.db2.gz CXPVCTYEKZWCED-UHFFFAOYSA-N 1 0 386.334 2.233 20 0 GEADRO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc(OC)c1OCC(F)F ZINC000290224628 647173806 /nfs/dbraw/zinc/17/38/06/647173806.db2.gz XNXPLENGKBVTRM-UHFFFAOYSA-N 1 0 379.425 2.015 20 0 GEADRO COC(=O)c1csc(-c2cccc(C[NH2+]C3CCS(=O)(=O)CC3)c2)n1 ZINC000291283870 647177873 /nfs/dbraw/zinc/17/78/73/647177873.db2.gz ZCBFKZVJRUSUOS-UHFFFAOYSA-N 1 0 380.491 2.264 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000292165460 647183235 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C[C@H]1CN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC[N@@H+](C2CC2)C1 ZINC000296423432 647251491 /nfs/dbraw/zinc/25/14/91/647251491.db2.gz ZLJKSCQYMJGBLW-SECBINFHSA-N 1 0 376.404 2.043 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000297959515 647268330 /nfs/dbraw/zinc/26/83/30/647268330.db2.gz GPCDMNYDOHZPLN-CJNGLKHVSA-N 1 0 396.329 2.349 20 0 GEADRO CSc1nc2ncnc(N3CCC(C[NH+]4CCN(C)CC4)CC3)c2s1 ZINC000301915803 647276739 /nfs/dbraw/zinc/27/67/39/647276739.db2.gz AECBRYMMINAZRH-UHFFFAOYSA-N 1 0 378.571 2.272 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000312796037 647282649 /nfs/dbraw/zinc/28/26/49/647282649.db2.gz JTPRDMMHAQFSPW-SCZZXKLOSA-N 1 0 382.711 2.211 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ncc3Br)CC[C@H]21 ZINC000323429938 647297341 /nfs/dbraw/zinc/29/73/41/647297341.db2.gz QIGWSOUKUTUFRY-GXFFZTMASA-N 1 0 383.246 2.309 20 0 GEADRO C[C@H]1CN(C(=O)c2c(Br)nnn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000323846472 647299018 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394.313 2.371 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000331904526 647403095 /nfs/dbraw/zinc/40/30/95/647403095.db2.gz ZQRGLBIFLXLJIN-CYBMUJFWSA-N 1 0 376.473 2.205 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@@H](C)C[NH2+]1 ZINC000332061674 647409010 /nfs/dbraw/zinc/40/90/10/647409010.db2.gz QCTSQQFRHODMCE-MNOVXSKESA-N 1 0 379.262 2.244 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)[C@H]2C1 ZINC000332072161 647410521 /nfs/dbraw/zinc/41/05/21/647410521.db2.gz XCDGVQIIKBNDJC-YGRLFVJLSA-N 1 0 384.249 2.079 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000332072160 647410650 /nfs/dbraw/zinc/41/06/50/647410650.db2.gz XCDGVQIIKBNDJC-QMTHXVAHSA-N 1 0 384.249 2.079 20 0 GEADRO Cc1cc(N2CCC([NH2+]Cc3ccc(S(C)(=O)=O)s3)CC2)nc(C)n1 ZINC000332109846 647412289 /nfs/dbraw/zinc/41/22/89/647412289.db2.gz GBBKDYPEWXXRMT-UHFFFAOYSA-N 1 0 380.539 2.317 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2cc3c(c(Br)c2)OCO3)CCSC1 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GSFUQQGRUPPVLH-NSHDSACASA-N 1 0 384.249 2.142 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[C@H]1[NH3+] ZINC000332629120 647449725 /nfs/dbraw/zinc/44/97/25/647449725.db2.gz DGKFXNOMRWYIEM-VNHYZAJKSA-N 1 0 381.318 2.407 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000332743980 647452036 /nfs/dbraw/zinc/45/20/36/647452036.db2.gz UYOMDHYECNMZNR-JKSUJKDBSA-N 1 0 394.313 2.403 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@@H](NC(C)=O)c2cccs2)C[C@H]1[NH+]1CCCC1 ZINC000332975385 647457059 /nfs/dbraw/zinc/45/70/59/647457059.db2.gz KKKVYUHPGHEXPT-BFYDXBDKSA-N 1 0 381.567 2.354 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333094906 647460996 /nfs/dbraw/zinc/46/09/96/647460996.db2.gz CYGGSNACRKYPNM-NWDGAFQWSA-N 1 0 391.273 2.103 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333094907 647461078 /nfs/dbraw/zinc/46/10/78/647461078.db2.gz CYGGSNACRKYPNM-RYUDHWBXSA-N 1 0 391.273 2.103 20 0 GEADRO Cc1n[nH]cc1-c1nnc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)s1 ZINC000333101753 647461911 /nfs/dbraw/zinc/46/19/11/647461911.db2.gz DYAMLNKJSWEMPP-GFCCVEGCSA-N 1 0 378.527 2.393 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3ncccc32)C[C@@H]1[NH+]1CCCC1 ZINC000333162419 647463282 /nfs/dbraw/zinc/46/32/82/647463282.db2.gz INXPRWSEVKXHPC-DLBZAZTESA-N 1 0 377.535 2.435 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3ccnn3-c3ccc(Br)cn3)C[C@H]12 ZINC000333258775 647468278 /nfs/dbraw/zinc/46/82/78/647468278.db2.gz DPMASADIRXUERY-KGYLQXTDSA-N 1 0 391.273 2.231 20 0 GEADRO CCc1n[nH]c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1Br ZINC000333440340 647473840 /nfs/dbraw/zinc/47/38/40/647473840.db2.gz PLCVQAFFIBFMSR-UONOGXRCSA-N 1 0 399.333 2.232 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc(Br)c4c(c3)OCCO4)C[C@@H]21 ZINC000333583991 647474690 /nfs/dbraw/zinc/47/46/90/647474690.db2.gz BDHOMTZXFBONEV-OCCSQVGLSA-N 1 0 396.285 2.066 20 0 GEADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1c(Cl)cccc1Cl ZINC000333821223 647483260 /nfs/dbraw/zinc/48/32/60/647483260.db2.gz HPDHFFFEVORQPZ-UHFFFAOYSA-N 1 0 392.352 2.488 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000333822709 647483810 /nfs/dbraw/zinc/48/38/10/647483810.db2.gz LCKCBAPOLMQDIO-DOMZBBRYSA-N 1 0 386.265 2.423 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)n1 ZINC000333827408 647483869 /nfs/dbraw/zinc/48/38/69/647483869.db2.gz SEHNIOGBDVGCJR-UHFFFAOYSA-N 1 0 396.333 2.135 20 0 GEADRO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000333832981 647484199 /nfs/dbraw/zinc/48/41/99/647484199.db2.gz MUNDLAQVOINWQJ-ZDUSSCGKSA-N 1 0 382.555 2.496 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000349405180 647504009 /nfs/dbraw/zinc/50/40/09/647504009.db2.gz UWFLACNMAKYEFO-GJZGRUSLSA-N 1 0 396.285 2.153 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351064691 647548225 /nfs/dbraw/zinc/54/82/25/647548225.db2.gz AYYMTHNWDXDHAZ-SNVBAGLBSA-N 1 0 375.435 2.485 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000361598899 647562060 /nfs/dbraw/zinc/56/20/60/647562060.db2.gz KRADBDLVNYBCIO-RYUDHWBXSA-N 1 0 396.285 2.139 20 0 GEADRO CCC[C@](C)([NH3+])C(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000361707722 647563339 /nfs/dbraw/zinc/56/33/39/647563339.db2.gz FICFZCPQXNNUOZ-KRWDZBQOSA-N 1 0 387.933 2.127 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1 ZINC000361786473 647564565 /nfs/dbraw/zinc/56/45/65/647564565.db2.gz XSGJKQZWEQABSZ-GOSISDBHSA-N 1 0 399.329 2.429 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362688321 647571319 /nfs/dbraw/zinc/57/13/19/647571319.db2.gz LOPOLJVWHKYADO-YOEHRIQHSA-N 1 0 385.961 2.295 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362688318 647571399 /nfs/dbraw/zinc/57/13/99/647571399.db2.gz LOPOLJVWHKYADO-PBHICJAKSA-N 1 0 385.961 2.295 20 0 GEADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000363258863 647589152 /nfs/dbraw/zinc/58/91/52/647589152.db2.gz JMWBVCLIFGGNEL-MELADBBJSA-N 1 0 380.901 2.093 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000363373526 647593257 /nfs/dbraw/zinc/59/32/57/647593257.db2.gz AMQRAMSJRPKSHJ-UHFFFAOYSA-N 1 0 394.313 2.170 20 0 GEADRO C[NH+](C)CCN1CCCN(C(=O)CCc2ccccc2Br)CC1 ZINC000363470336 647596649 /nfs/dbraw/zinc/59/66/49/647596649.db2.gz MQKJAWZTCBOHSR-UHFFFAOYSA-N 1 0 382.346 2.478 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363521394 647599380 /nfs/dbraw/zinc/59/93/80/647599380.db2.gz ZMCLPLLULSOTAG-IHRRRGAJSA-N 1 0 383.286 2.196 20 0 GEADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CSc3nncs3)CC2)C[C@H](C)O1 ZINC000363644332 647604680 /nfs/dbraw/zinc/60/46/80/647604680.db2.gz CBRTXVWPUUFAER-OKILXGFUSA-N 1 0 384.571 2.368 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2sccc2Br)CC1 ZINC000363650375 647605176 /nfs/dbraw/zinc/60/51/76/647605176.db2.gz DYJIQSQTXYBMJM-GFCCVEGCSA-N 1 0 386.315 2.065 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)c1cccc(Br)c1 ZINC000363950115 647613500 /nfs/dbraw/zinc/61/35/00/647613500.db2.gz RPFIELQJSUJYLF-GOEBONIOSA-N 1 0 390.285 2.024 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000364171936 647621061 /nfs/dbraw/zinc/62/10/61/647621061.db2.gz PDDRBYHRSWVRLH-WMLDXEAASA-N 1 0 386.945 2.334 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC000364382592 647623226 /nfs/dbraw/zinc/62/32/26/647623226.db2.gz YDAWQDXEGIHBQG-AWEZNQCLSA-N 1 0 382.917 2.236 20 0 GEADRO Cc1cnc([C@@H]2CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2)s1 ZINC000364391710 647623778 /nfs/dbraw/zinc/62/37/78/647623778.db2.gz RFYVYTYOHAKJKB-LLVKDONJSA-N 1 0 378.420 2.409 20 0 GEADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000364577851 647637371 /nfs/dbraw/zinc/63/73/71/647637371.db2.gz KDTDDRYCPQKWCM-XABYNWHXSA-N 1 0 392.297 2.283 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000364831110 647645496 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Cc1ccc(NC(=O)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 ZINC000377163743 647854722 /nfs/dbraw/zinc/85/47/22/647854722.db2.gz CQTMXPGRVACUND-AWEZNQCLSA-N 1 0 385.917 2.421 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c(-c2ccccc2Cl)n1 ZINC000378341767 647879390 /nfs/dbraw/zinc/87/93/90/647879390.db2.gz LVYDMEWTNZAYFS-ZDUSSCGKSA-N 1 0 382.917 2.241 20 0 GEADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000378429347 647880230 /nfs/dbraw/zinc/88/02/30/647880230.db2.gz KZOHZZUJHSGPJY-CQSZACIVSA-N 1 0 389.253 2.086 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(Br)n1 ZINC000378433320 647880738 /nfs/dbraw/zinc/88/07/38/647880738.db2.gz QEULVAUNLOKCGN-GFCCVEGCSA-N 1 0 395.301 2.224 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)Nc1cc2ccc(Br)cn2n1 ZINC000482116186 647892505 /nfs/dbraw/zinc/89/25/05/647892505.db2.gz XSCJJMPVUMSLMM-UHFFFAOYSA-N 1 0 375.230 2.147 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400157818 647902127 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COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000409642161 647975191 /nfs/dbraw/zinc/97/51/91/647975191.db2.gz QWWJYANGNVBUHD-OAHLLOKOSA-N 1 0 382.302 2.103 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000410813887 648015728 /nfs/dbraw/zinc/01/57/28/648015728.db2.gz XKNXFKMFKQBWGV-UHFFFAOYSA-N 1 0 384.318 2.208 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000411679280 648031144 /nfs/dbraw/zinc/03/11/44/648031144.db2.gz VXAHYIXEZFPBNR-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000411956253 648039342 /nfs/dbraw/zinc/03/93/42/648039342.db2.gz YMAQMWVTCRUSFV-GFCCVEGCSA-N 1 0 387.265 2.499 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412046320 648041899 /nfs/dbraw/zinc/04/18/99/648041899.db2.gz QZTPLUSPNISPOM-COPLHBTASA-N 1 0 388.249 2.321 20 0 GEADRO COC(=O)[C@]1(C)CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000412106721 648043099 /nfs/dbraw/zinc/04/30/99/648043099.db2.gz 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C[NH2+][C@H]1CCCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417297295 648238358 /nfs/dbraw/zinc/23/83/58/648238358.db2.gz ISHNQXWNFXLYOP-LBPRGKRZSA-N 1 0 384.274 2.114 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417305198 648239159 /nfs/dbraw/zinc/23/91/59/648239159.db2.gz VSLRWVAHJFSIHU-LBPRGKRZSA-N 1 0 384.274 2.243 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417306129 648239165 /nfs/dbraw/zinc/23/91/65/648239165.db2.gz ZGVJGMVEIPMSTA-LBPRGKRZSA-N 1 0 398.301 2.491 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000417314420 648239220 /nfs/dbraw/zinc/23/92/20/648239220.db2.gz RFNVPQKKEYXXMQ-CJNGLKHVSA-N 1 0 381.318 2.199 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000417368804 648241073 /nfs/dbraw/zinc/24/10/73/648241073.db2.gz PHNJRLAVSXRGAX-OLZOCXBDSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC1CC[NH2+]CC1 ZINC000417366435 648241095 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CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417403661 648242989 /nfs/dbraw/zinc/24/29/89/648242989.db2.gz DLEQHYKLZCMCNG-OAHLLOKOSA-N 1 0 399.333 2.194 20 0 GEADRO [NH3+]C1(CNC(=O)NCCNC(=O)c2cccc(Br)c2)CCCCC1 ZINC000417430860 648245009 /nfs/dbraw/zinc/24/50/09/648245009.db2.gz KBWNULNLYRYCMZ-UHFFFAOYSA-N 1 0 397.317 2.140 20 0 GEADRO O=C(NCCc1ccc(I)s1)NCC[C@H]1CC[NH2+]C1 ZINC000417439895 648246287 /nfs/dbraw/zinc/24/62/87/648246287.db2.gz MWRGDRGJXXEJOI-SNVBAGLBSA-N 1 0 393.294 2.194 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCCc1ccc(I)s1 ZINC000417440795 648246313 /nfs/dbraw/zinc/24/63/13/648246313.db2.gz OXNJUIVCLPXHHA-SECBINFHSA-N 1 0 381.283 2.192 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cc1OC ZINC000417449622 648247357 /nfs/dbraw/zinc/24/73/57/648247357.db2.gz YLHVXBFZXBSHRY-JTQLQIEISA-N 1 0 396.232 2.248 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417476121 648247582 /nfs/dbraw/zinc/24/75/82/648247582.db2.gz 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O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417600889 648255598 /nfs/dbraw/zinc/25/55/98/648255598.db2.gz KQVLLFQOHZUPOE-QLFBSQMISA-N 1 0 393.329 2.279 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417605561 648256544 /nfs/dbraw/zinc/25/65/44/648256544.db2.gz YPJJLGBSNXEDGX-QLFBSQMISA-N 1 0 393.329 2.279 20 0 GEADRO C[NH+]1CCC(N(CCO)Cc2ccc(F)cc2I)CC1 ZINC000417691217 648258128 /nfs/dbraw/zinc/25/81/28/648258128.db2.gz JLZSBANWJNMUSY-UHFFFAOYSA-N 1 0 392.256 2.319 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccc(Br)cc2)CC12CCOCC2 ZINC000417703137 648258482 /nfs/dbraw/zinc/25/84/82/648258482.db2.gz QTLYZIYGYZSHLA-HNNXBMFYSA-N 1 0 396.329 2.389 20 0 GEADRO CN(C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)C1CC[NH2+]CC1 ZINC000417727386 648259642 /nfs/dbraw/zinc/25/96/42/648259642.db2.gz LMUZABONZGAWHU-UHFFFAOYSA-N 1 0 393.289 2.128 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417730855 648259874 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FFDUXZIBVKSWSJ-XHDPSFHLSA-N 1 0 394.317 2.245 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)nc12 ZINC000418020866 648271343 /nfs/dbraw/zinc/27/13/43/648271343.db2.gz OHSBYDVLVPOBNW-QWHCGFSZSA-N 1 0 394.317 2.326 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000418036076 648272775 /nfs/dbraw/zinc/27/27/75/648272775.db2.gz VLQIFBCSMVZTHU-IAGOWNOFSA-N 1 0 396.329 2.448 20 0 GEADRO O=C(NCc1cc(Br)ccc1Br)N[C@H]1CC[NH2+]C1 ZINC000418036753 648272891 /nfs/dbraw/zinc/27/28/91/648272891.db2.gz GHFHRNFSXMLZFK-JTQLQIEISA-N 1 0 377.080 2.373 20 0 GEADRO [NH3+]CC1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000418056278 648273673 /nfs/dbraw/zinc/27/36/73/648273673.db2.gz CIUOPDBBVNISQH-AWEZNQCLSA-N 1 0 385.295 2.479 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418079132 648275938 /nfs/dbraw/zinc/27/59/38/648275938.db2.gz KGTQSKQXLRKLTP-GUYCJALGSA-N 1 0 385.295 2.479 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]1 ZINC000418078801 648276101 /nfs/dbraw/zinc/27/61/01/648276101.db2.gz JWZZQAYHZIWLMM-RISCZKNCSA-N 1 0 385.295 2.492 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CCO1 ZINC000418084038 648276551 /nfs/dbraw/zinc/27/65/51/648276551.db2.gz UMZNPOVTENKYFB-UONOGXRCSA-N 1 0 387.311 2.331 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418084045 648276562 /nfs/dbraw/zinc/27/65/62/648276562.db2.gz UPFLGVZVFOQOGT-WDMOLILDSA-N 1 0 385.295 2.477 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CCO1 ZINC000418084037 648276603 /nfs/dbraw/zinc/27/66/03/648276603.db2.gz UMZNPOVTENKYFB-KGLIPLIRSA-N 1 0 387.311 2.331 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCCO1 ZINC000418084803 648276811 /nfs/dbraw/zinc/27/68/11/648276811.db2.gz WKCDUUNSACQSHJ-KBPBESRZSA-N 1 0 387.311 2.331 20 0 GEADRO CC1(C)CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000418088971 648277719 /nfs/dbraw/zinc/27/77/19/648277719.db2.gz AOTQEXNZRNFGGI-AWEZNQCLSA-N 1 0 381.318 2.421 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418092434 648278808 /nfs/dbraw/zinc/27/88/08/648278808.db2.gz RHFQGTPFMUUADX-CQSZACIVSA-N 1 0 378.274 2.268 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418099345 648279456 /nfs/dbraw/zinc/27/94/56/648279456.db2.gz NDBNEICLDOFAPS-LSDHHAIUSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(Cl)cc1I ZINC000418097496 648279667 /nfs/dbraw/zinc/27/96/67/648279667.db2.gz YQGAQMMOWFXKDM-QMMMGPOBSA-N 1 0 381.645 2.481 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418103500 648280085 /nfs/dbraw/zinc/28/00/85/648280085.db2.gz SZPNURJJHZAGHJ-VHDGCEQUSA-N 1 0 381.318 2.454 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCCCn3cc(Br)cn3)C[C@H]21 ZINC000418110545 648281592 /nfs/dbraw/zinc/28/15/92/648281592.db2.gz WJWMKCGAQOLLQJ-NWANDNLSSA-N 1 0 384.322 2.195 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(F)cc1I ZINC000418117411 648281888 /nfs/dbraw/zinc/28/18/88/648281888.db2.gz RPNIOBHBEPCKBV-VXGBXAGGSA-N 1 0 392.256 2.317 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000418115195 648282109 /nfs/dbraw/zinc/28/21/09/648282109.db2.gz PBBFQONAGKTUAI-ZIAGYGMSSA-N 1 0 399.329 2.497 20 0 GEADRO COc1cc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc(I)c1OC ZINC000418120098 648282499 /nfs/dbraw/zinc/28/24/99/648282499.db2.gz VPTANSDZNNMEFW-WJONMLJTSA-N 1 0 377.222 2.311 20 0 GEADRO O=C(NCc1ccc(I)cc1Cl)N[C@@H]1CCC[NH2+]C1 ZINC000418121559 648282807 /nfs/dbraw/zinc/28/28/07/648282807.db2.gz IYXQUDKMVCSMHC-LLVKDONJSA-N 1 0 393.656 2.496 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1I ZINC000418135296 648284230 /nfs/dbraw/zinc/28/42/30/648284230.db2.gz AIGBSRMHLOXPKU-AAEUAGOBSA-N 1 0 387.265 2.478 20 0 GEADRO Cc1cc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)ccc1I ZINC000418144337 648284635 /nfs/dbraw/zinc/28/46/35/648284635.db2.gz SVGSOYJLMXZRRG-NSHDSACASA-N 1 0 397.207 2.381 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1I ZINC000418145613 648285184 /nfs/dbraw/zinc/28/51/84/648285184.db2.gz YKQSXLLRDVDWTL-BXUZGUMPSA-N 1 0 387.265 2.478 20 0 GEADRO CC[C@@H](NC(=O)NCCN1CC[NH2+]CC1)c1cc(F)cc(Br)c1 ZINC000418151495 648285533 /nfs/dbraw/zinc/28/55/33/648285533.db2.gz SRTAVCHOUUIBCM-OAHLLOKOSA-N 1 0 387.297 2.244 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)C(F)F ZINC000418170663 648286241 /nfs/dbraw/zinc/28/62/41/648286241.db2.gz ZUXYMAZKVWYXQE-ZJUUUORDSA-N 1 0 382.180 2.303 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000418168204 648286259 /nfs/dbraw/zinc/28/62/59/648286259.db2.gz WHEBQFITKUMJQP-JTQLQIEISA-N 1 0 393.656 2.448 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1F ZINC000418175409 648286755 /nfs/dbraw/zinc/28/67/55/648286755.db2.gz ASAIDOOVOSANAB-OCCSQVGLSA-N 1 0 399.308 2.338 20 0 GEADRO C[C@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1F ZINC000418175407 648286807 /nfs/dbraw/zinc/28/68/07/648286807.db2.gz ASAIDOOVOSANAB-GXTWGEPZSA-N 1 0 399.308 2.338 20 0 GEADRO [NH3+]CCC[C@@H](NC(=O)NCCn1cc(Br)cn1)c1ccccc1 ZINC000418181504 648287219 /nfs/dbraw/zinc/28/72/19/648287219.db2.gz MHLDPOXRAZUPFH-OAHLLOKOSA-N 1 0 380.290 2.425 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418225932 648288062 /nfs/dbraw/zinc/28/80/62/648288062.db2.gz AFCZQNWANZTDFL-AWEZNQCLSA-N 1 0 375.922 2.321 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000418230271 648288584 /nfs/dbraw/zinc/28/85/84/648288584.db2.gz JCKGWBMZLQIAOV-ZDUSSCGKSA-N 1 0 387.933 2.273 20 0 GEADRO C[C@@H](NC(=O)NCc1c(Br)cncc1Br)[C@H](C)[NH3+] ZINC000418241376 648289913 /nfs/dbraw/zinc/28/99/13/648289913.db2.gz SQJFVYLJHTZVGB-NKWVEPMBSA-N 1 0 380.084 2.142 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000418261760 648290161 /nfs/dbraw/zinc/29/01/61/648290161.db2.gz YYSCSRXORNVDIY-OAHLLOKOSA-N 1 0 399.308 2.170 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)NCc1c(Br)cncc1Br ZINC000418243838 648290215 /nfs/dbraw/zinc/29/02/15/648290215.db2.gz WRULJNMCEVOPKN-QMMMGPOBSA-N 1 0 394.111 2.261 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)NCc2c(Br)cncc2Br)C1 ZINC000418247282 648290380 /nfs/dbraw/zinc/29/03/80/648290380.db2.gz ZYTGLJWUHGIFJR-QMMMGPOBSA-N 1 0 392.095 2.097 20 0 GEADRO [NH3+]CCCN(CC1CCCC1)C(=O)NCCn1cc(Br)ccc1=O ZINC000418247254 648290395 /nfs/dbraw/zinc/29/03/95/648290395.db2.gz GMYGXIMQSQFYAI-UHFFFAOYSA-N 1 0 399.333 2.161 20 0 GEADRO C[NH2+]CCCNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418276030 648290683 /nfs/dbraw/zinc/29/06/83/648290683.db2.gz FELIKGRVUQJVAV-UHFFFAOYSA-N 1 0 397.317 2.419 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418304904 648292050 /nfs/dbraw/zinc/29/20/50/648292050.db2.gz XCUXBVCVSOPGAX-AWEZNQCLSA-N 1 0 384.318 2.041 20 0 GEADRO C[NH2+]CCNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418325107 648292899 /nfs/dbraw/zinc/29/28/99/648292899.db2.gz IPWLFFRUBFJDJT-UHFFFAOYSA-N 1 0 383.290 2.029 20 0 GEADRO [NH3+]CCCNC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000418318043 648292946 /nfs/dbraw/zinc/29/29/46/648292946.db2.gz ZPMJSFPJUCVRHX-CYBMUJFWSA-N 1 0 387.265 2.214 20 0 GEADRO C[NH2+]CCNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418325830 648293007 /nfs/dbraw/zinc/29/30/07/648293007.db2.gz KABUBHVWDAKXRT-NSHDSACASA-N 1 0 384.196 2.020 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418346455 648294032 /nfs/dbraw/zinc/29/40/32/648294032.db2.gz MMFKPMKVMISSGV-HZPDHXFCSA-N 1 0 398.345 2.289 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418346456 648294118 /nfs/dbraw/zinc/29/41/18/648294118.db2.gz MMFKPMKVMISSGV-JKSUJKDBSA-N 1 0 398.345 2.289 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418384817 648295690 /nfs/dbraw/zinc/29/56/90/648295690.db2.gz PBZVBSCDJJFJFJ-HNNXBMFYSA-N 1 0 387.311 2.393 20 0 GEADRO COCCN(Cc1sccc1Br)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418382132 648295753 /nfs/dbraw/zinc/29/57/53/648295753.db2.gz YEBCZDWYEDDYJA-LLVKDONJSA-N 1 0 376.320 2.421 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418402613 648296580 /nfs/dbraw/zinc/29/65/80/648296580.db2.gz BDDYGLGFGNRSDT-VYDXJSESSA-N 1 0 398.345 2.417 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418410261 648297354 /nfs/dbraw/zinc/29/73/54/648297354.db2.gz PDEXDJCXUGCUPW-NHYWBVRUSA-N 1 0 390.297 2.022 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418486583 648297819 /nfs/dbraw/zinc/29/78/19/648297819.db2.gz ILMYHANJMWSZHR-FZMZJTMJSA-N 1 0 381.826 2.412 20 0 GEADRO O=C(NCC1C[NH2+]C1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418486370 648297841 /nfs/dbraw/zinc/29/78/41/648297841.db2.gz JFZIZWFLZPEIOM-AWEZNQCLSA-N 1 0 379.810 2.037 20 0 GEADRO CCC[NH2+]CCNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418487393 648297860 /nfs/dbraw/zinc/29/78/60/648297860.db2.gz IFOBBVRWLRDGNV-CYBMUJFWSA-N 1 0 390.297 2.038 20 0 GEADRO CC1(CNC(=O)NCC(=O)Nc2cccc(Br)c2)CC[NH2+]CC1 ZINC000418520086 648299475 /nfs/dbraw/zinc/29/94/75/648299475.db2.gz OTLAHHGLXMQTFO-UHFFFAOYSA-N 1 0 383.290 2.077 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418579610 648302719 /nfs/dbraw/zinc/30/27/19/648302719.db2.gz RPDUJNRURBVOMU-XHDPSFHLSA-N 1 0 388.281 2.090 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1Br ZINC000418578728 648302763 /nfs/dbraw/zinc/30/27/63/648302763.db2.gz QHSQNXHYAKQECD-JKSUJKDBSA-N 1 0 398.345 2.350 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418587161 648303011 /nfs/dbraw/zinc/30/30/11/648303011.db2.gz GIKRTGVZGBXWNG-WZRBSPASSA-N 1 0 376.284 2.030 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418587160 648303199 /nfs/dbraw/zinc/30/31/99/648303199.db2.gz GIKRTGVZGBXWNG-NTZNESFSSA-N 1 0 376.284 2.030 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000418588787 648303238 /nfs/dbraw/zinc/30/32/38/648303238.db2.gz ABNYJUAIDPZKOU-FZMZJTMJSA-N 1 0 388.281 2.233 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000418592672 648303623 /nfs/dbraw/zinc/30/36/23/648303623.db2.gz DHKOBFGNNVKIPF-GHMZBOCLSA-N 1 0 376.320 2.155 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000418596891 648304100 /nfs/dbraw/zinc/30/41/00/648304100.db2.gz HHWNPMCUUFBBOC-CWRNSKLLSA-N 1 0 398.345 2.348 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418607907 648304479 /nfs/dbraw/zinc/30/44/79/648304479.db2.gz YDMLQFVDKDNOSC-DGCLKSJQSA-N 1 0 390.297 2.036 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CC[NH2+]1 ZINC000418612789 648305083 /nfs/dbraw/zinc/30/50/83/648305083.db2.gz WAQYXEBNABJOJD-CMPLNLGQSA-N 1 0 376.320 2.155 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NC(C)(C)COc2ncccc2Br)CC[NH2+]1 ZINC000418615782 648305301 /nfs/dbraw/zinc/30/53/01/648305301.db2.gz YHPHUVMQNOXZLB-RYUDHWBXSA-N 1 0 385.306 2.441 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418623503 648305606 /nfs/dbraw/zinc/30/56/06/648305606.db2.gz WYVAZVVKXTVZLS-CPCISQLKSA-N 1 0 384.196 2.148 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418634952 648306057 /nfs/dbraw/zinc/30/60/57/648306057.db2.gz GKXQXZLYZAJOEX-MRXNPFEDSA-N 1 0 396.329 2.209 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418715421 648308088 /nfs/dbraw/zinc/30/80/88/648308088.db2.gz YCAZATCGQUNLDX-SNVBAGLBSA-N 1 0 382.262 2.426 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418720318 648308439 /nfs/dbraw/zinc/30/84/39/648308439.db2.gz IVYSOFNZEPQUSI-CQSZACIVSA-N 1 0 387.297 2.153 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000418731395 648308640 /nfs/dbraw/zinc/30/86/40/648308640.db2.gz SXTHIFXSCKGXLM-HLLBOEOZSA-N 1 0 398.345 2.417 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000418739046 648308731 /nfs/dbraw/zinc/30/87/31/648308731.db2.gz XZMCEFSDCVYACL-NSHDSACASA-N 1 0 379.814 2.323 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000418731397 648308819 /nfs/dbraw/zinc/30/88/19/648308819.db2.gz SXTHIFXSCKGXLM-YQQAZPJKSA-N 1 0 398.345 2.417 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418753363 648309267 /nfs/dbraw/zinc/30/92/67/648309267.db2.gz VKEQQIORKKFKQV-WFASDCNBSA-N 1 0 388.281 2.453 20 0 GEADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418767124 648310896 /nfs/dbraw/zinc/31/08/96/648310896.db2.gz PZHKEHBLGDJLOT-QWHCGFSZSA-N 1 0 392.244 2.169 20 0 GEADRO CN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000418768917 648311187 /nfs/dbraw/zinc/31/11/87/648311187.db2.gz NAPXCBJISIJRHH-HIFRSBDPSA-N 1 0 385.917 2.342 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000418775128 648311889 /nfs/dbraw/zinc/31/18/89/648311889.db2.gz WBSYWOBWQVQQGI-DOTOQJQBSA-N 1 0 395.345 2.404 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418779520 648312093 /nfs/dbraw/zinc/31/20/93/648312093.db2.gz XKMYQSDJXPKMHG-DOTOQJQBSA-N 1 0 398.345 2.432 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000418775133 648312168 /nfs/dbraw/zinc/31/21/68/648312168.db2.gz WBSYWOBWQVQQGI-RDJZCZTQSA-N 1 0 395.345 2.404 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000418797336 648313134 /nfs/dbraw/zinc/31/31/34/648313134.db2.gz UVDJBOQDWDTWRX-FMKPAKJESA-N 1 0 384.318 2.027 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418813812 648313633 /nfs/dbraw/zinc/31/36/33/648313633.db2.gz FAUBKLPYBGLQJF-JOQOYGCGSA-N 1 0 382.291 2.178 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418822644 648314402 /nfs/dbraw/zinc/31/44/02/648314402.db2.gz WZQQDGDHJWBFJI-LMOYCYGVSA-N 1 0 382.291 2.033 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000418823387 648314639 /nfs/dbraw/zinc/31/46/39/648314639.db2.gz YAFLAHFHRVTOIC-YGSHXTJESA-N 1 0 384.307 2.409 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000418844509 648316683 /nfs/dbraw/zinc/31/66/83/648316683.db2.gz MJDRYPXPKPMFEL-WFASDCNBSA-N 1 0 384.318 2.130 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418846506 648317042 /nfs/dbraw/zinc/31/70/42/648317042.db2.gz RVZLGDHUQRMWFZ-VNHYZAJKSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000418848925 648317262 /nfs/dbraw/zinc/31/72/62/648317262.db2.gz LYNSYYKMLWBMBO-QWHCGFSZSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000418853640 648317798 /nfs/dbraw/zinc/31/77/98/648317798.db2.gz SNVPZFMXDMLUSI-HBNTYKKESA-N 1 0 388.270 2.378 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418859183 648318578 /nfs/dbraw/zinc/31/85/78/648318578.db2.gz XNYVVRILIAXBST-DOMZBBRYSA-N 1 0 382.302 2.102 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)C1CC[NH2+]CC1 ZINC000418866521 648319454 /nfs/dbraw/zinc/31/94/54/648319454.db2.gz NEENXYMAEPLMBU-LBPRGKRZSA-N 1 0 397.317 2.012 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc(C(F)(F)F)c(Br)s1 ZINC000418865720 648319467 /nfs/dbraw/zinc/31/94/67/648319467.db2.gz MOZDFNHOKRNWDB-QMMMGPOBSA-N 1 0 387.269 2.972 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000418866964 648319575 /nfs/dbraw/zinc/31/95/75/648319575.db2.gz OLVCSDODHCIGFP-BZPMIXESSA-N 1 0 382.302 2.131 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418933624 648322576 /nfs/dbraw/zinc/32/25/76/648322576.db2.gz BFIAHJFCVXUUQH-CQSZACIVSA-N 1 0 382.302 2.186 20 0 GEADRO CN(C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21)[C@@H]1CCC[NH2+]CC1 ZINC000418940860 648323233 /nfs/dbraw/zinc/32/32/33/648323233.db2.gz JMQMNPSVHSJICR-ZBFHGGJFSA-N 1 0 394.313 2.153 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418943715 648323245 /nfs/dbraw/zinc/32/32/45/648323245.db2.gz ZENADFCBEXMUEE-OAHLLOKOSA-N 1 0 396.329 2.087 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)C[C@H]21 ZINC000418944694 648323770 /nfs/dbraw/zinc/32/37/70/648323770.db2.gz OMAQEJSVCSCILK-AXAPSJFSSA-N 1 0 384.307 2.238 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)ccc1Br ZINC000418991297 648326891 /nfs/dbraw/zinc/32/68/91/648326891.db2.gz MJEBPLIQICIGPD-OAHLLOKOSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncc(Br)c(OC(C)(C)C)n1 ZINC000419007217 648327277 /nfs/dbraw/zinc/32/72/77/648327277.db2.gz UCQCKBUUKYWXAF-RYUDHWBXSA-N 1 0 387.322 2.308 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419017579 648327675 /nfs/dbraw/zinc/32/76/75/648327675.db2.gz GJCBSUADXOTNHY-WQVCFCJDSA-N 1 0 396.329 2.273 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419022096 648328047 /nfs/dbraw/zinc/32/80/47/648328047.db2.gz MYRRIHLANOCUMY-CYBMUJFWSA-N 1 0 396.329 2.097 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419024540 648328308 /nfs/dbraw/zinc/32/83/08/648328308.db2.gz QMLVOHANGUBRCZ-CYBMUJFWSA-N 1 0 384.318 2.002 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000419044885 648329430 /nfs/dbraw/zinc/32/94/30/648329430.db2.gz QWKKGAOEBBRJNX-VHSXEESVSA-N 1 0 380.436 2.363 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000419044884 648329557 /nfs/dbraw/zinc/32/95/57/648329557.db2.gz QWKKGAOEBBRJNX-UWVGGRQHSA-N 1 0 380.436 2.363 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419048522 648330118 /nfs/dbraw/zinc/33/01/18/648330118.db2.gz AHLPBEDDMTWYSH-VNHYZAJKSA-N 1 0 396.329 2.095 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419049153 648330142 /nfs/dbraw/zinc/33/01/42/648330142.db2.gz BCWQVIAVQQBGOT-XNRPHZJLSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419048521 648330166 /nfs/dbraw/zinc/33/01/66/648330166.db2.gz AHLPBEDDMTWYSH-UMVBOHGHSA-N 1 0 396.329 2.095 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419051375 648330432 /nfs/dbraw/zinc/33/04/32/648330432.db2.gz GDPJFRGJALTUDO-DVOMOZLQSA-N 1 0 396.329 2.225 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419056931 648331069 /nfs/dbraw/zinc/33/10/69/648331069.db2.gz SMWDSVHAVQCJHC-KBXCAEBGSA-N 1 0 396.329 2.084 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419056555 648331185 /nfs/dbraw/zinc/33/11/85/648331185.db2.gz RLYMSOLFYPQWKQ-AWEZNQCLSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419056327 648331241 /nfs/dbraw/zinc/33/12/41/648331241.db2.gz QPOUHIDITHYZPR-ZDUSSCGKSA-N 1 0 396.329 2.002 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2cc(C)ccc2Br)CC1 ZINC000419064182 648332196 /nfs/dbraw/zinc/33/21/96/648332196.db2.gz HQDLVIKCRFGDGA-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419068581 648332486 /nfs/dbraw/zinc/33/24/86/648332486.db2.gz MOTUKEDLUMPKPE-ZDUSSCGKSA-N 1 0 390.709 2.352 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419074481 648332604 /nfs/dbraw/zinc/33/26/04/648332604.db2.gz DXKKUSUERLDPBN-HNNXBMFYSA-N 1 0 396.329 2.087 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419080734 648332781 /nfs/dbraw/zinc/33/27/81/648332781.db2.gz QFDFYNYICYLLQG-OAHLLOKOSA-N 1 0 396.329 2.231 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)[C@@H]1C[NH3+] ZINC000419098369 648333759 /nfs/dbraw/zinc/33/37/59/648333759.db2.gz GVVKUTOSRSXSLW-ZWNOBZJWSA-N 1 0 380.901 2.152 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000419131759 648336353 /nfs/dbraw/zinc/33/63/53/648336353.db2.gz DHGMAFWDHRDSQQ-ZDUSSCGKSA-N 1 0 396.329 2.474 20 0 GEADRO O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419140834 648336845 /nfs/dbraw/zinc/33/68/45/648336845.db2.gz WHLITOQPLSEYFJ-ZDUSSCGKSA-N 1 0 388.295 2.137 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000419152584 648337574 /nfs/dbraw/zinc/33/75/74/648337574.db2.gz OQZZMHDYMNQETE-MBNYWOFBSA-N 1 0 382.302 2.070 20 0 GEADRO O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)C(=O)N1CCC[NH2+]CC1 ZINC000419168854 648338861 /nfs/dbraw/zinc/33/88/61/648338861.db2.gz FLCYQOUFVSFKEQ-UHFFFAOYSA-N 1 0 384.307 2.353 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1Br ZINC000419179106 648339697 /nfs/dbraw/zinc/33/96/97/648339697.db2.gz CMIKMSGRHQMPFA-CHWSQXEVSA-N 1 0 396.329 2.087 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)CC1 ZINC000419185276 648340228 /nfs/dbraw/zinc/34/02/28/648340228.db2.gz KPIPGJCGDSSYBW-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO CN(C(=O)C(=O)NCC(C)(C)c1ccccc1Br)C1CC[NH2+]CC1 ZINC000419194247 648340578 /nfs/dbraw/zinc/34/05/78/648340578.db2.gz WBUITTRRLZQEIG-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000419248697 648342824 /nfs/dbraw/zinc/34/28/24/648342824.db2.gz YDKFUJJVKLQBCE-OAHLLOKOSA-N 1 0 381.929 2.451 20 0 GEADRO CCC[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000419307521 648346485 /nfs/dbraw/zinc/34/64/85/648346485.db2.gz UGNXZZKLIKWUJW-IUODEOHRSA-N 1 0 388.295 2.055 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)c1 ZINC000419320178 648346541 /nfs/dbraw/zinc/34/65/41/648346541.db2.gz XDAJGVTVKTZTIL-KRWDZBQOSA-N 1 0 380.897 2.320 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000419326424 648346924 /nfs/dbraw/zinc/34/69/24/648346924.db2.gz CEXZCBJIYZLEGQ-STQMWFEESA-N 1 0 380.539 2.197 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000419335385 648348318 /nfs/dbraw/zinc/34/83/18/648348318.db2.gz WDIIPKRGYFAYAC-NFAWXSAZSA-N 1 0 377.312 2.120 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000419367996 648350456 /nfs/dbraw/zinc/35/04/56/648350456.db2.gz VYUYSVNZFVTNJX-CJNGLKHVSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419371627 648350988 /nfs/dbraw/zinc/35/09/88/648350988.db2.gz JBYGPYMMSUEINK-CYBMUJFWSA-N 1 0 396.329 2.088 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000419382382 648351108 /nfs/dbraw/zinc/35/11/08/648351108.db2.gz YWRNQEDUHVAZQN-UHFFFAOYSA-N 1 0 396.329 2.232 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419448356 648353530 /nfs/dbraw/zinc/35/35/30/648353530.db2.gz BWNYVGMHAMHJHY-KBPBESRZSA-N 1 0 384.318 2.354 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419448358 648353558 /nfs/dbraw/zinc/35/35/58/648353558.db2.gz BWNYVGMHAMHJHY-UONOGXRCSA-N 1 0 384.318 2.354 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419492459 648354449 /nfs/dbraw/zinc/35/44/49/648354449.db2.gz LKXZVIOERYCJFU-UONOGXRCSA-N 1 0 384.318 2.354 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000419592650 648357504 /nfs/dbraw/zinc/35/75/04/648357504.db2.gz WDZXLIUAOJWTHH-INIZCTEOSA-N 1 0 394.313 2.011 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc(Cl)sc3Cl)C[C@@H]21 ZINC000419618347 648358399 /nfs/dbraw/zinc/35/83/99/648358399.db2.gz BSMPPUDKKDDMHV-INTQDDNPSA-N 1 0 376.309 2.257 20 0 GEADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C(=O)NCc1cccc(Br)c1 ZINC000419654168 648360082 /nfs/dbraw/zinc/36/00/82/648360082.db2.gz ZHPCWFLPWPXGIP-YPXDRJKUSA-N 1 0 394.313 2.088 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419680546 648363539 /nfs/dbraw/zinc/36/35/39/648363539.db2.gz SIGXETTZPCDVBE-ZDUSSCGKSA-N 1 0 395.301 2.036 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000419686944 648364981 /nfs/dbraw/zinc/36/49/81/648364981.db2.gz DEAICCGJGDVNFE-HIFRSBDPSA-N 1 0 377.897 2.219 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(Br)s1 ZINC000419699342 648366605 /nfs/dbraw/zinc/36/66/05/648366605.db2.gz BKGCGGZHPCNVPS-GXSJLCMTSA-N 1 0 388.331 2.322 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000419704266 648367367 /nfs/dbraw/zinc/36/73/67/648367367.db2.gz HCQQLRKANQDERV-OUAUKWLOSA-N 1 0 388.331 2.274 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cnc(N(C)C)n1C ZINC000419708255 648368777 /nfs/dbraw/zinc/36/87/77/648368777.db2.gz HGLDDNRVZPSVLV-AWEZNQCLSA-N 1 0 395.345 2.498 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)s2)C1 ZINC000419710817 648369136 /nfs/dbraw/zinc/36/91/36/648369136.db2.gz OIQBOXUZEQLMPE-MNOVXSKESA-N 1 0 388.331 2.146 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419714623 648369964 /nfs/dbraw/zinc/36/99/64/648369964.db2.gz TXAWPZVDRAVXTC-MNOVXSKESA-N 1 0 388.331 2.194 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccc(Br)s1 ZINC000419719198 648371290 /nfs/dbraw/zinc/37/12/90/648371290.db2.gz XCFIRZRBBLIACV-VHSXEESVSA-N 1 0 388.331 2.274 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419719847 648371297 /nfs/dbraw/zinc/37/12/97/648371297.db2.gz XOXDFWBPTARSPJ-BMIGLBTASA-N 1 0 388.331 2.194 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CC[NH2+]C1 ZINC000419731312 648372037 /nfs/dbraw/zinc/37/20/37/648372037.db2.gz RAEYKIIZVBOOSC-ZWNOBZJWSA-N 1 0 386.279 2.144 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000419732805 648372557 /nfs/dbraw/zinc/37/25/57/648372557.db2.gz SUSVTYANILBITE-MFKMUULPSA-N 1 0 386.279 2.001 20 0 GEADRO CN(C(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CCC[NH2+]CC1 ZINC000419738632 648373368 /nfs/dbraw/zinc/37/33/68/648373368.db2.gz ZCECRUIHTAWUQZ-ZWNOBZJWSA-N 1 0 386.279 2.144 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419759858 648375804 /nfs/dbraw/zinc/37/58/04/648375804.db2.gz MOXLIRBKRBZLPR-UHFFFAOYSA-N 1 0 398.237 2.327 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419764217 648376239 /nfs/dbraw/zinc/37/62/39/648376239.db2.gz VVNCXJWHZGJIHJ-QMMMGPOBSA-N 1 0 398.237 2.183 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419769425 648376707 /nfs/dbraw/zinc/37/67/07/648376707.db2.gz CLYMKSBVKIRTFY-WCFLWFBJSA-N 1 0 398.301 2.021 20 0 GEADRO CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)c1cc(F)cc(Br)c1 ZINC000419768804 648376825 /nfs/dbraw/zinc/37/68/25/648376825.db2.gz CHEAIMLFKBJSDE-YGRLFVJLSA-N 1 0 388.281 2.127 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419800758 648379689 /nfs/dbraw/zinc/37/96/89/648379689.db2.gz AERBCYVDZXWXFR-IOASZLSFSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000419805930 648380549 /nfs/dbraw/zinc/38/05/49/648380549.db2.gz FCUZITWVQFWGIN-NFAWXSAZSA-N 1 0 396.329 2.082 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC000419816949 648381933 /nfs/dbraw/zinc/38/19/33/648381933.db2.gz LPQYHOKJJYIHTG-UHFFFAOYSA-N 1 0 375.803 2.133 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000419822854 648382329 /nfs/dbraw/zinc/38/23/29/648382329.db2.gz OCWCEXBUHPSGJD-XJKSGUPXSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419825568 648382586 /nfs/dbraw/zinc/38/25/86/648382586.db2.gz QEFNHSGSZRBTGF-UKRRQHHQSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419825426 648382785 /nfs/dbraw/zinc/38/27/85/648382785.db2.gz RCROSHIALZQXOD-CHWSQXEVSA-N 1 0 396.329 2.039 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000419837260 648384090 /nfs/dbraw/zinc/38/40/90/648384090.db2.gz CTGFHZYLIQJVRR-RYUDHWBXSA-N 1 0 388.295 2.087 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419852890 648385280 /nfs/dbraw/zinc/38/52/80/648385280.db2.gz DKATWGOGYYVXFN-STQMWFEESA-N 1 0 394.313 2.011 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419853122 648385360 /nfs/dbraw/zinc/38/53/60/648385360.db2.gz MRVONMDTLIRPQQ-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419852888 648385379 /nfs/dbraw/zinc/38/53/79/648385379.db2.gz DKATWGOGYYVXFN-OLZOCXBDSA-N 1 0 394.313 2.011 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1)C1CC1 ZINC000419862203 648385771 /nfs/dbraw/zinc/38/57/71/648385771.db2.gz MVUXYFNTIJFLIE-MNOVXSKESA-N 1 0 386.315 2.028 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000419853958 648385963 /nfs/dbraw/zinc/38/59/63/648385963.db2.gz ULPCYMYXWSANDS-UHFFFAOYSA-N 1 0 382.291 2.477 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000419893778 648386660 /nfs/dbraw/zinc/38/66/60/648386660.db2.gz QBJIXIWVFUIFPW-WDEREUQCSA-N 1 0 386.315 2.042 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419901648 648387359 /nfs/dbraw/zinc/38/73/59/648387359.db2.gz UBLNFZNLUOCNHE-KGLIPLIRSA-N 1 0 396.329 2.220 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000419906390 648387372 /nfs/dbraw/zinc/38/73/72/648387372.db2.gz ZYRAQDNHCKVUOG-PMPSAXMXSA-N 1 0 394.313 2.499 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419910394 648387718 /nfs/dbraw/zinc/38/77/18/648387718.db2.gz HTBVPFBYGQKHJB-CZUORRHYSA-N 1 0 394.313 2.228 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419909856 648387836 /nfs/dbraw/zinc/38/78/36/648387836.db2.gz ZKVXMMDAYIIDBR-DZGCQCFKSA-N 1 0 396.329 2.302 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419923468 648388687 /nfs/dbraw/zinc/38/86/87/648388687.db2.gz BCYRXBRKHPROLR-CYBMUJFWSA-N 1 0 384.318 2.159 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419949423 648390617 /nfs/dbraw/zinc/39/06/17/648390617.db2.gz LEMVJQGLRKNIFN-CYBMUJFWSA-N 1 0 396.329 2.127 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H](C)C[NH3+])ccc1Br ZINC000419963350 648391436 /nfs/dbraw/zinc/39/14/36/648391436.db2.gz VZAJIAXVMLFTLT-NHYWBVRUSA-N 1 0 382.302 2.132 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000419982443 648392727 /nfs/dbraw/zinc/39/27/27/648392727.db2.gz SUMCYGONETUVQP-HNNXBMFYSA-N 1 0 384.318 2.286 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419984490 648392818 /nfs/dbraw/zinc/39/28/18/648392818.db2.gz DIKFKRVUHFKNML-NUEKZKHPSA-N 1 0 394.313 2.356 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419989258 648393309 /nfs/dbraw/zinc/39/33/09/648393309.db2.gz ARBLSBABQRTVIX-UONOGXRCSA-N 1 0 396.329 2.474 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419991626 648393617 /nfs/dbraw/zinc/39/36/17/648393617.db2.gz GZTWOHGJFUPYSU-NHYWBVRUSA-N 1 0 390.311 2.319 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000419999312 648394507 /nfs/dbraw/zinc/39/45/07/648394507.db2.gz OIQKUORWBQJSNB-WDSOQIARSA-N 1 0 395.341 2.472 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000419999309 648394616 /nfs/dbraw/zinc/39/46/16/648394616.db2.gz OIQKUORWBQJSNB-NEWSRXKRSA-N 1 0 395.341 2.472 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420008021 648395080 /nfs/dbraw/zinc/39/50/80/648395080.db2.gz DAYIUEIIEGZTHR-KRWDZBQOSA-N 1 0 387.318 2.209 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420013780 648395979 /nfs/dbraw/zinc/39/59/79/648395979.db2.gz JMSHQRWLXBFYSQ-CZUORRHYSA-N 1 0 396.329 2.350 20 0 GEADRO Cc1ccc(I)cc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420018892 648396461 /nfs/dbraw/zinc/39/64/61/648396461.db2.gz QMPGEJIYKFOMPB-HNNXBMFYSA-N 1 0 390.265 2.032 20 0 GEADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000420035358 648397423 /nfs/dbraw/zinc/39/74/23/648397423.db2.gz KDJKJONGDOTYEU-GXFFZTMASA-N 1 0 388.295 2.181 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000420033692 648397474 /nfs/dbraw/zinc/39/74/74/648397474.db2.gz WRSPEOMMQYNIPG-JTQLQIEISA-N 1 0 380.901 2.119 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420058898 648398853 /nfs/dbraw/zinc/39/88/53/648398853.db2.gz KBSGCYGYHWUFIV-XJKSGUPXSA-N 1 0 396.329 2.431 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)s1)C1CC1 ZINC000420067057 648399271 /nfs/dbraw/zinc/39/92/71/648399271.db2.gz RUTHZYZTKARLEB-WDEREUQCSA-N 1 0 386.315 2.028 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420070480 648399647 /nfs/dbraw/zinc/39/96/47/648399647.db2.gz VLOJHSGMVDGXLD-NEPJUHHUSA-N 1 0 388.331 2.103 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CCC1 ZINC000420092030 648401177 /nfs/dbraw/zinc/40/11/77/648401177.db2.gz NSVBCUCTCBBIPX-AWEZNQCLSA-N 1 0 398.276 2.249 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CCC1 ZINC000420092641 648401179 /nfs/dbraw/zinc/40/11/79/648401179.db2.gz OSDXYHQSGOPXOU-CQSZACIVSA-N 1 0 398.276 2.249 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(CC)Cc1cccc(Br)c1 ZINC000420115263 648402400 /nfs/dbraw/zinc/40/24/00/648402400.db2.gz FEZUSUAYZUPQKJ-OAHLLOKOSA-N 1 0 384.318 2.431 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(CC)Cc1cccc(Br)c1 ZINC000420115262 648402439 /nfs/dbraw/zinc/40/24/39/648402439.db2.gz FEZUSUAYZUPQKJ-HNNXBMFYSA-N 1 0 384.318 2.431 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420113837 648402447 /nfs/dbraw/zinc/40/24/47/648402447.db2.gz YRSMWPKXJHTIAV-SFHVURJKSA-N 1 0 396.329 2.304 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420124106 648403723 /nfs/dbraw/zinc/40/37/23/648403723.db2.gz PNICJCJECCFAHE-UHFFFAOYSA-N 1 0 396.329 2.304 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000420136572 648404939 /nfs/dbraw/zinc/40/49/39/648404939.db2.gz FTNMLAPNGSJGDC-ZDUSSCGKSA-N 1 0 396.329 2.053 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000420136080 648404983 /nfs/dbraw/zinc/40/49/83/648404983.db2.gz FLKMLASJKKUILM-BFQNTYOBSA-N 1 0 394.313 2.009 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000420151579 648406034 /nfs/dbraw/zinc/40/60/34/648406034.db2.gz YGTSMMLMNOUVCE-CJNGLKHVSA-N 1 0 377.535 2.453 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420148279 648406048 /nfs/dbraw/zinc/40/60/48/648406048.db2.gz UDNYOKKRBZJJHZ-CJNGLKHVSA-N 1 0 396.329 2.302 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000420158492 648406717 /nfs/dbraw/zinc/40/67/17/648406717.db2.gz QNDRPHHYTICYTP-MNOVXSKESA-N 1 0 388.331 2.288 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000420167767 648407074 /nfs/dbraw/zinc/40/70/74/648407074.db2.gz JNNYXHZGCRHJRP-DOMZBBRYSA-N 1 0 382.302 2.227 20 0 GEADRO Ic1ccc2ncnc(NCC[C@H]3CCC[NH2+]C3)c2c1 ZINC000420193280 648408835 /nfs/dbraw/zinc/40/88/35/648408835.db2.gz IUAAEGVZHDSHQC-LLVKDONJSA-N 1 0 382.249 3.036 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420189755 648408839 /nfs/dbraw/zinc/40/88/39/648408839.db2.gz OLWUFPDBYSDVTO-UPJWGTAASA-N 1 0 382.302 2.212 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420197238 648408887 /nfs/dbraw/zinc/40/88/87/648408887.db2.gz LMDCDJXNHDMXKP-TZMCWYRMSA-N 1 0 382.302 2.041 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000420219618 648410302 /nfs/dbraw/zinc/41/03/02/648410302.db2.gz YTHYLKKOBUIIHQ-DOMZBBRYSA-N 1 0 394.313 2.184 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000420219612 648410308 /nfs/dbraw/zinc/41/03/08/648410308.db2.gz YSNJPYAJVXXBJL-KCXAZCMYSA-N 1 0 394.313 2.356 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1c1ncnc2cc(Br)ccc21 ZINC000420245998 648411410 /nfs/dbraw/zinc/41/14/10/648411410.db2.gz MFXGUIDCIBLAKV-ZDUSSCGKSA-N 1 0 392.301 2.216 20 0 GEADRO O=c1c(Cl)c(Cl)cnn1-c1ccc(NC[C@H]2C[NH2+]C[C@H]2O)c(Cl)c1 ZINC000420257408 648411867 /nfs/dbraw/zinc/41/18/67/648411867.db2.gz WIKAWOBBEBFPOM-AMIZOPFISA-N 1 0 389.670 2.185 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCS(=O)(=O)c1cccc(Br)c1 ZINC000420375562 648414615 /nfs/dbraw/zinc/41/46/15/648414615.db2.gz TXWVXLXYMHMBAU-XUJVJEKNSA-N 1 0 375.332 2.199 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(CCOc3ccccc3Br)C2)nn1 ZINC000420387779 648414934 /nfs/dbraw/zinc/41/49/34/648414934.db2.gz WKBCGCUJVWNTOD-AWEZNQCLSA-N 1 0 380.290 2.215 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1Br ZINC000420444259 648416484 /nfs/dbraw/zinc/41/64/84/648416484.db2.gz BYTIDHAYEUFPOF-CYBMUJFWSA-N 1 0 379.320 2.500 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420450460 648417687 /nfs/dbraw/zinc/41/76/87/648417687.db2.gz HGSJFSLCDUBVOV-TZMCWYRMSA-N 1 0 376.906 2.161 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2sccc2F)CCN(Cc2ccccc2)CC1 ZINC000420474753 648420946 /nfs/dbraw/zinc/42/09/46/648420946.db2.gz YRVNDPYSFLZTDF-UHFFFAOYSA-N 1 0 383.514 2.159 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420482470 648421399 /nfs/dbraw/zinc/42/13/99/648421399.db2.gz UKUUYMSGITVBSX-IHRRRGAJSA-N 1 0 390.933 2.359 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)nn1 ZINC000420484213 648421923 /nfs/dbraw/zinc/42/19/23/648421923.db2.gz XLMZGYBVWFNVCY-LBPRGKRZSA-N 1 0 390.296 2.069 20 0 GEADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cc(Cl)ccc1OC(F)F ZINC000420669165 648431239 /nfs/dbraw/zinc/43/12/39/648431239.db2.gz FVNCRUMIYFORCU-UHFFFAOYSA-N 1 0 398.859 2.067 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000420794456 648456511 /nfs/dbraw/zinc/45/65/11/648456511.db2.gz KZCBGRAQKMVFNC-KGLIPLIRSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000420794458 648456928 /nfs/dbraw/zinc/45/69/28/648456928.db2.gz KZCBGRAQKMVFNC-ZIAGYGMSSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000420810360 648457575 /nfs/dbraw/zinc/45/75/75/648457575.db2.gz ZJRQJJNGNDQRHQ-IUODEOHRSA-N 1 0 382.302 2.179 20 0 GEADRO CN(C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[N@@H+]1C ZINC000421003329 648461845 /nfs/dbraw/zinc/46/18/45/648461845.db2.gz RWFYNZYTLDJDGA-HUUCEWRRSA-N 1 0 375.282 2.354 20 0 GEADRO COC1([C@H](C)[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000421042837 648462918 /nfs/dbraw/zinc/46/29/18/648462918.db2.gz ZRNUZIMQLYREBY-ZFWWWQNUSA-N 1 0 388.302 2.363 20 0 GEADRO COC1([C@H](C)[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCOCC1 ZINC000421042239 648463019 /nfs/dbraw/zinc/46/30/19/648463019.db2.gz YYTFDKFTRAEXQC-DZGCQCFKSA-N 1 0 388.302 2.363 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCc3c2cccc3Br)CC[N@@H+]1C ZINC000421224399 648473416 /nfs/dbraw/zinc/47/34/16/648473416.db2.gz LFAJJYAEVLDATQ-STQMWFEESA-N 1 0 394.313 2.279 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421288147 648483662 /nfs/dbraw/zinc/48/36/62/648483662.db2.gz LAQMIFDNBBLXLA-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1F ZINC000421304165 648487261 /nfs/dbraw/zinc/48/72/61/648487261.db2.gz SZRVJQJSMCCENW-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO C[N@H+](CCCCNC(=O)C(=O)NCCc1ccc(Br)cc1)C1CC1 ZINC000421372574 648488953 /nfs/dbraw/zinc/48/89/53/648488953.db2.gz DJQXAIMFDWVABI-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO CCN1CCC([N@@H+]2CCCN(Cc3c(Br)c(C)nn3C)CC2)CC1 ZINC000421379321 648489330 /nfs/dbraw/zinc/48/93/30/648489330.db2.gz UJPDRMDBRFQPNK-UHFFFAOYSA-N 1 0 398.393 2.483 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000421567895 648497600 /nfs/dbraw/zinc/49/76/00/648497600.db2.gz YWVADPMEOZUZAW-CQSZACIVSA-N 1 0 396.329 2.098 20 0 GEADRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000422083149 648519897 /nfs/dbraw/zinc/51/98/97/648519897.db2.gz HJILIYUZXMIWJY-NEPJUHHUSA-N 1 0 377.304 2.144 20 0 GEADRO Cc1nc(C)c(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000422351267 648539270 /nfs/dbraw/zinc/53/92/70/648539270.db2.gz KYSQMSQEOKURHR-UHFFFAOYSA-N 1 0 380.539 2.028 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000422358877 648540146 /nfs/dbraw/zinc/54/01/46/648540146.db2.gz NTSNTOYJPWVMGR-CYBMUJFWSA-N 1 0 398.345 2.200 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000422518599 648555452 /nfs/dbraw/zinc/55/54/52/648555452.db2.gz OFNDCGUACKMJGT-UHFFFAOYSA-N 1 0 398.345 2.420 20 0 GEADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC000422558365 648559074 /nfs/dbraw/zinc/55/90/74/648559074.db2.gz ZBKMQGHTJKZGDD-UPJWGTAASA-N 1 0 377.913 2.461 20 0 GEADRO NC(=O)c1cccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000517216191 648559750 /nfs/dbraw/zinc/55/97/50/648559750.db2.gz BCFBWCSYDRCTFS-UHFFFAOYSA-N 1 0 391.269 2.392 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000422622074 648562989 /nfs/dbraw/zinc/56/29/89/648562989.db2.gz RWMXBYLJUVMUKK-UHFFFAOYSA-N 1 0 381.420 2.036 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000422634596 648564064 /nfs/dbraw/zinc/56/40/64/648564064.db2.gz KASNJNRBUFEMHF-GFCCVEGCSA-N 1 0 399.276 2.446 20 0 GEADRO COc1cc(Br)c(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OC ZINC000422946278 648578425 /nfs/dbraw/zinc/57/84/25/648578425.db2.gz OROJOSZMSPBVFB-IAGOWNOFSA-N 1 0 385.302 2.323 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422967116 648579514 /nfs/dbraw/zinc/57/95/14/648579514.db2.gz SKPYHILRUGABDA-MRXNPFEDSA-N 1 0 396.329 2.098 20 0 GEADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)[C@@H](C)[NH3+] ZINC000423109743 648580953 /nfs/dbraw/zinc/58/09/53/648580953.db2.gz SZNJMWUMJHMJSR-CZUORRHYSA-N 1 0 396.329 2.353 20 0 GEADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423113209 648582070 /nfs/dbraw/zinc/58/20/70/648582070.db2.gz KNMUYDYCXYVJDX-YPMHNXCESA-N 1 0 388.295 2.089 20 0 GEADRO C[C@@H](C[C@H]1COCCN1)[NH2+]CCOc1ccc(I)cc1 ZINC000423117102 648582443 /nfs/dbraw/zinc/58/24/43/648582443.db2.gz SZNQRKIBCOHCHB-JSGCOSHPSA-N 1 0 390.265 2.027 20 0 GEADRO CC(C)[C@@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000423120625 648582500 /nfs/dbraw/zinc/58/25/00/648582500.db2.gz HKCVRMSNCZATEP-IUODEOHRSA-N 1 0 384.318 2.305 20 0 GEADRO O=C(COC1CC[NH2+]CC1)NCc1cc(Br)ccc1OC(F)F ZINC000423137181 648584123 /nfs/dbraw/zinc/58/41/23/648584123.db2.gz HVNFAGHBIJTSOZ-UHFFFAOYSA-N 1 0 393.228 2.435 20 0 GEADRO Cn1cc(I)c(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423152063 648585028 /nfs/dbraw/zinc/58/50/28/648585028.db2.gz FIKHQEUWFRUGEY-FPMFFAJLSA-N 1 0 388.297 2.425 20 0 GEADRO Cn1cc(I)c(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423152066 648585093 /nfs/dbraw/zinc/58/50/93/648585093.db2.gz FIKHQEUWFRUGEY-MRVWCRGKSA-N 1 0 388.297 2.425 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000423244941 648588316 /nfs/dbraw/zinc/58/83/16/648588316.db2.gz IBKNPTXAWYPPPE-HNNXBMFYSA-N 1 0 389.279 2.391 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CC1 ZINC000423239542 648588440 /nfs/dbraw/zinc/58/84/40/648588440.db2.gz SFBVXAZQFOEDQI-UHFFFAOYSA-N 1 0 384.307 2.336 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000423359428 648589947 /nfs/dbraw/zinc/58/99/47/648589947.db2.gz KKQOBZXWUKNZMI-HZPDHXFCSA-N 1 0 381.929 2.167 20 0 GEADRO CC[C@H](NC[C@]1(COC)CCC[NH2+]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423413632 648590625 /nfs/dbraw/zinc/59/06/25/648590625.db2.gz LCRNYBTXDWFIBQ-RDJZCZTQSA-N 1 0 389.949 2.057 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000423451358 648591161 /nfs/dbraw/zinc/59/11/61/648591161.db2.gz GPGYTXXMSJFSDD-UHFFFAOYSA-N 1 0 390.709 2.129 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2C)C1 ZINC000423450016 648591310 /nfs/dbraw/zinc/59/13/10/648591310.db2.gz DGBZOLFOVKQEID-AWEZNQCLSA-N 1 0 396.329 2.174 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)N1CC[C@H]([NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000423475141 648591667 /nfs/dbraw/zinc/59/16/67/648591667.db2.gz RPSZVZJECBFVJF-NWDGAFQWSA-N 1 0 388.295 2.169 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N(C)CC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000423476870 648592076 /nfs/dbraw/zinc/59/20/76/648592076.db2.gz STOAVMSXRVPIML-NSHDSACASA-N 1 0 376.284 2.026 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)CC[C@@H]1[NH3+] ZINC000423478553 648592182 /nfs/dbraw/zinc/59/21/82/648592182.db2.gz NIJUMDOWQDYILJ-HSMVNMDESA-N 1 0 394.313 2.091 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC[NH2+]1 ZINC000423501230 648593031 /nfs/dbraw/zinc/59/30/31/648593031.db2.gz BCCRTTWRMYDEFT-IAQYHMDHSA-N 1 0 398.276 2.072 20 0 GEADRO CN1CCNC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423531186 648594749 /nfs/dbraw/zinc/59/47/49/648594749.db2.gz ZPKBSSJAJXKHOA-MSOLQXFVSA-N 1 0 382.346 2.410 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423550917 648595022 /nfs/dbraw/zinc/59/50/22/648595022.db2.gz BESOIJZFSWCVJO-TWJWRFFLSA-N 1 0 394.313 2.164 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)c2ccccc2Br)C1 ZINC000423554350 648595129 /nfs/dbraw/zinc/59/51/29/648595129.db2.gz FFSJGKVWLHNHEU-ZIAGYGMSSA-N 1 0 396.329 2.427 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423629952 648597643 /nfs/dbraw/zinc/59/76/43/648597643.db2.gz XZIDGUADKJMLAF-INIZCTEOSA-N 1 0 398.345 2.282 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000423627744 648597767 /nfs/dbraw/zinc/59/77/67/648597767.db2.gz VAJGZHJHHJWHNO-GOEBONIOSA-N 1 0 394.313 2.105 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423660729 648598466 /nfs/dbraw/zinc/59/84/66/648598466.db2.gz AUWIRTPHMHLDAR-WOSRLPQWSA-N 1 0 381.929 2.229 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423663712 648598911 /nfs/dbraw/zinc/59/89/11/648598911.db2.gz DJYPNBDBHTUHTL-CJNGLKHVSA-N 1 0 396.329 2.178 20 0 GEADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423689871 648599925 /nfs/dbraw/zinc/59/99/25/648599925.db2.gz ZUBFWBOMGSIZQN-HNNXBMFYSA-N 1 0 396.329 2.037 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423709141 648600386 /nfs/dbraw/zinc/60/03/86/648600386.db2.gz VUSDOCPRITYGPS-YPMHNXCESA-N 1 0 388.295 2.169 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423726881 648600785 /nfs/dbraw/zinc/60/07/85/648600785.db2.gz URWZTHIQUPMJNF-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CC[C@@H]1[NH3+] ZINC000423726142 648600973 /nfs/dbraw/zinc/60/09/73/648600973.db2.gz IETKHLZONDJTTJ-KCXAZCMYSA-N 1 0 381.929 2.229 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)[C@@H]1C[NH3+] ZINC000423742247 648601290 /nfs/dbraw/zinc/60/12/90/648601290.db2.gz UJFJKCWJGOCOBJ-CMPLNLGQSA-N 1 0 388.331 2.055 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000423951149 648604727 /nfs/dbraw/zinc/60/47/27/648604727.db2.gz JGJSINFIYOFXPR-RISCZKNCSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000423956083 648605066 /nfs/dbraw/zinc/60/50/66/648605066.db2.gz OLPJDXLPXINEKD-CQSZACIVSA-N 1 0 395.301 2.039 20 0 GEADRO CN(CC(=O)N[C@@H](C[NH3+])C1CCCC1)C(=O)c1ccc(Br)s1 ZINC000423953240 648605189 /nfs/dbraw/zinc/60/51/89/648605189.db2.gz JJADOSZHJHXDPK-NSHDSACASA-N 1 0 388.331 2.216 20 0 GEADRO [NH3+]C[C@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CCCC1 ZINC000423960725 648605761 /nfs/dbraw/zinc/60/57/61/648605761.db2.gz NOFNZEUEVOSGEB-JKSUJKDBSA-N 1 0 381.929 2.489 20 0 GEADRO [NH3+]CC1(CC(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CC1 ZINC000423992428 648607350 /nfs/dbraw/zinc/60/73/50/648607350.db2.gz JYZKSHZWHUJJGZ-UHFFFAOYSA-N 1 0 384.293 2.361 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c(I)c1 ZINC000424000518 648608541 /nfs/dbraw/zinc/60/85/41/648608541.db2.gz BSSUQHHSOPEBNC-QWRGUYRKSA-N 1 0 388.249 2.357 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccc(F)cc3Br)C2)nn1 ZINC000424004395 648609203 /nfs/dbraw/zinc/60/92/03/648609203.db2.gz QMGLYHWAGMCERL-LBPRGKRZSA-N 1 0 382.237 2.116 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@H]1c1cccc(F)c1 ZINC000424014044 648610136 /nfs/dbraw/zinc/61/01/36/648610136.db2.gz SZKYBUDOPHNWOW-GXTWGEPZSA-N 1 0 380.217 2.256 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@@H]1C[NH3+] ZINC000424069353 648610259 /nfs/dbraw/zinc/61/02/59/648610259.db2.gz ISCBNNHZBSRBSC-VWYCJHECSA-N 1 0 396.285 2.225 20 0 GEADRO CS(=O)(=O)CCCC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000424173127 648616001 /nfs/dbraw/zinc/61/60/01/648616001.db2.gz PCKYKUBALPIWNB-UHFFFAOYSA-N 1 0 377.297 2.489 20 0 GEADRO CS(=O)(=O)CCCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000424177256 648616095 /nfs/dbraw/zinc/61/60/95/648616095.db2.gz ZLYGEHLRVCOJSL-UHFFFAOYSA-N 1 0 378.288 2.135 20 0 GEADRO O=S(=O)(CCOCC1CC1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000424200683 648616628 /nfs/dbraw/zinc/61/66/28/648616628.db2.gz FBTDGNSCHOUQKA-UHFFFAOYSA-N 1 0 384.567 2.446 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424218764 648619879 /nfs/dbraw/zinc/61/98/79/648619879.db2.gz WUZQBYMOIILWKD-ZIAGYGMSSA-N 1 0 389.315 2.161 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccsc2)c1 ZINC000424216367 648619896 /nfs/dbraw/zinc/61/98/96/648619896.db2.gz RCAZEEOHUBVZQN-UHFFFAOYSA-N 1 0 387.914 2.494 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)CCc3ccc(Br)cc3)C[C@H]2[NH3+])cn1 ZINC000424224705 648620367 /nfs/dbraw/zinc/62/03/67/648620367.db2.gz KUCOJOPHQCNFTR-JKSUJKDBSA-N 1 0 377.286 2.069 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424288814 648622765 /nfs/dbraw/zinc/62/27/65/648622765.db2.gz JKHFDMXXADBYOX-QMMMGPOBSA-N 1 0 387.670 2.467 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCc1cc(Cl)cc(I)c1)C1CC1 ZINC000424473087 648630052 /nfs/dbraw/zinc/63/00/52/648630052.db2.gz GUXPMSUAVOLXGH-LBPRGKRZSA-N 1 0 393.656 2.481 20 0 GEADRO CC[NH2+]CCNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424482080 648631134 /nfs/dbraw/zinc/63/11/34/648631134.db2.gz SORSREDMPLIWRF-UHFFFAOYSA-N 1 0 381.645 2.353 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424483700 648631266 /nfs/dbraw/zinc/63/12/66/648631266.db2.gz YVVZDGZNGIFJFT-MRVPVSSYSA-N 1 0 381.645 2.481 20 0 GEADRO COc1ncc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000424559415 648634885 /nfs/dbraw/zinc/63/48/85/648634885.db2.gz KDIVZCHATGQXDR-TXEJJXNPSA-N 1 0 386.290 2.082 20 0 GEADRO COc1ncc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000424674265 648638306 /nfs/dbraw/zinc/63/83/06/648638306.db2.gz CIUQCEWFLMDRNM-GFCCVEGCSA-N 1 0 398.301 2.083 20 0 GEADRO CS[C@@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)s2)C[C@@H]1[NH+]1CCCC1 ZINC000425435731 648677089 /nfs/dbraw/zinc/67/70/89/648677089.db2.gz UGCCUXRFXZJICA-LSDHHAIUSA-N 1 0 389.612 2.010 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Br)c3c(c2)OCCO3)n1 ZINC000523455083 648683281 /nfs/dbraw/zinc/68/32/81/648683281.db2.gz WZWHPYIRYYHGKZ-UHFFFAOYSA-N 1 0 395.257 2.231 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000426119098 648703711 /nfs/dbraw/zinc/70/37/11/648703711.db2.gz ZTSLAYURXJDICG-WCQYABFASA-N 1 0 390.347 2.497 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000427084143 648722889 /nfs/dbraw/zinc/72/28/89/648722889.db2.gz HUSQMHATOQPQBD-UHFFFAOYSA-N 1 0 383.905 2.197 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000428556410 648736481 /nfs/dbraw/zinc/73/64/81/648736481.db2.gz FSOZUBBEZHBJEX-KGLIPLIRSA-N 1 0 386.334 2.240 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428563114 648736855 /nfs/dbraw/zinc/73/68/55/648736855.db2.gz VKDOFZXMQZGFPP-ZFWWWQNUSA-N 1 0 386.334 2.240 20 0 GEADRO CCC[NH+]1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000428595947 648740459 /nfs/dbraw/zinc/74/04/59/648740459.db2.gz GAKHPHVQEFTBBA-UHFFFAOYSA-N 1 0 387.933 2.417 20 0 GEADRO CC(C)S(=O)(=O)CCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429025791 648743623 /nfs/dbraw/zinc/74/36/23/648743623.db2.gz XRZXCFHZMXECPE-CQSZACIVSA-N 1 0 382.295 2.425 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)CCC(=O)c2ccc(I)cc2)C1 ZINC000429076677 648743749 /nfs/dbraw/zinc/74/37/49/648743749.db2.gz SZWPRGYKKJVQAI-NSHDSACASA-N 1 0 386.233 2.061 20 0 GEADRO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429126833 648745082 /nfs/dbraw/zinc/74/50/82/648745082.db2.gz KQOGDHPGKVKRSB-INIZCTEOSA-N 1 0 392.974 2.462 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429123813 648745426 /nfs/dbraw/zinc/74/54/26/648745426.db2.gz WXWCDKXNZNYBPL-UHFFFAOYSA-N 1 0 387.933 2.275 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000429137013 648745827 /nfs/dbraw/zinc/74/58/27/648745827.db2.gz YBWLZXOYKVJGPK-WQVCFCJDSA-N 1 0 396.329 2.447 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000429658535 648750495 /nfs/dbraw/zinc/75/04/95/648750495.db2.gz HYPIJCXYSROVBJ-UHFFFAOYSA-N 1 0 382.180 2.260 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430542683 648763461 /nfs/dbraw/zinc/76/34/61/648763461.db2.gz CTYOWAXJVKDXFT-GLQYFDAESA-N 1 0 399.276 2.445 20 0 GEADRO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430725587 648766148 /nfs/dbraw/zinc/76/61/48/648766148.db2.gz XZXSQYTWKYTLEM-SNVBAGLBSA-N 1 0 379.320 2.156 20 0 GEADRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430720785 648766391 /nfs/dbraw/zinc/76/63/91/648766391.db2.gz KCBNIOJFFZVPET-YGRLFVJLSA-N 1 0 377.304 2.174 20 0 GEADRO COCC[C@@]1(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[NH2+]C1 ZINC000430736222 648767106 /nfs/dbraw/zinc/76/71/06/648767106.db2.gz SHEYJDRWIZBNST-KSSFIOAISA-N 1 0 396.329 2.160 20 0 GEADRO O=S(=O)([C@H]1CCC[N@H+](CCSCc2ccccc2)C1)N1CCOCC1 ZINC000430760247 648767523 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C[C@H]1C[C@H](NC(=O)c2cc(I)ccc2O)C[N@@H+]1C1CC1 ZINC000436948993 648799870 /nfs/dbraw/zinc/79/98/70/648799870.db2.gz LAVYFOMZORHYGD-ONGXEEELSA-N 1 0 386.233 2.352 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000438787042 648803914 /nfs/dbraw/zinc/80/39/14/648803914.db2.gz ROGWUDYRQLZIEM-QWRGUYRKSA-N 1 0 384.249 2.270 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)C1 ZINC000439133832 648809087 /nfs/dbraw/zinc/80/90/87/648809087.db2.gz TYBOAWYVIAFHEW-NSHDSACASA-N 1 0 393.322 2.390 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)C1 ZINC000439132638 648809187 /nfs/dbraw/zinc/80/91/87/648809187.db2.gz HNWICHTUPNMZJN-NSHDSACASA-N 1 0 393.322 2.390 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000440744716 648811742 /nfs/dbraw/zinc/81/17/42/648811742.db2.gz GTWYBSWHATZNAG-CYBMUJFWSA-N 1 0 379.707 2.477 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000440754433 648812006 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COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000440823379 648814900 /nfs/dbraw/zinc/81/49/00/648814900.db2.gz FSZLKGXNHAKAHK-CQSZACIVSA-N 1 0 376.906 2.176 20 0 GEADRO C[NH2+]CCN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000440831832 648815004 /nfs/dbraw/zinc/81/50/04/648815004.db2.gz HLPYVHNDYKITGO-UHFFFAOYSA-N 1 0 375.210 2.308 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000440828743 648815138 /nfs/dbraw/zinc/81/51/38/648815138.db2.gz CMWDSRKNGUYJMV-RWMBFGLXSA-N 1 0 376.906 2.112 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000440821432 648815157 /nfs/dbraw/zinc/81/51/57/648815157.db2.gz NCPURNCRSGRSDM-JSGCOSHPSA-N 1 0 376.906 2.032 20 0 GEADRO C[C@@]1(CNS(=O)(=O)c2cc(Br)cc3c2OCC3)CCC[NH2+]C1 ZINC000440838633 648815924 /nfs/dbraw/zinc/81/59/24/648815924.db2.gz UDNGNMJMXBKAME-OAHLLOKOSA-N 1 0 389.315 2.052 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)[C@@H](C[NH3+])C1 ZINC000440838613 648815979 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392.297 2.417 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000550375241 651110393 /nfs/dbraw/zinc/11/03/93/651110393.db2.gz CGSWZFGGHNMQLS-KBPBESRZSA-N 1 0 396.329 2.302 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccccc2Br)CC1 ZINC000550496192 651112569 /nfs/dbraw/zinc/11/25/69/651112569.db2.gz SWWLTDJFXWHETD-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO CN(CCC[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)CC(F)(F)F ZINC000550623071 651113375 /nfs/dbraw/zinc/11/33/75/651113375.db2.gz SQVUFNNCHSJBLO-HNNXBMFYSA-N 1 0 379.448 2.185 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000550756038 651115071 /nfs/dbraw/zinc/11/50/71/651115071.db2.gz IBZSDQORILOYEV-KGLIPLIRSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000551266311 651121666 /nfs/dbraw/zinc/12/16/66/651121666.db2.gz ZKLJTJPXTDNCAH-DZGCQCFKSA-N 1 0 381.270 2.029 20 0 GEADRO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000551278182 651121788 /nfs/dbraw/zinc/12/17/88/651121788.db2.gz NOEIUQXSLCINIZ-GFCCVEGCSA-N 1 0 376.404 2.269 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000551266313 651121821 /nfs/dbraw/zinc/12/18/21/651121821.db2.gz ZKLJTJPXTDNCAH-UKRRQHHQSA-N 1 0 381.270 2.029 20 0 GEADRO CC(C)[N@@H+]1CCCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000551431022 651124521 /nfs/dbraw/zinc/12/45/21/651124521.db2.gz ODSIJECXIFLSQL-UHFFFAOYSA-N 1 0 379.302 2.373 20 0 GEADRO NC(=O)COc1cccc(C[NH2+]Cc2cccc(I)c2)c1 ZINC000551537379 651127643 /nfs/dbraw/zinc/12/76/43/651127643.db2.gz GJQSQOYHIUHPQB-UHFFFAOYSA-N 1 0 396.228 2.445 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)C1CCCCC1 ZINC000551765722 651132133 /nfs/dbraw/zinc/13/21/33/651132133.db2.gz UTAJEGBJJKTNTK-UHFFFAOYSA-N 1 0 378.420 2.481 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C)c1ccc(Br)cn1 ZINC000551810452 651133246 /nfs/dbraw/zinc/13/32/46/651133246.db2.gz SOSVGYXLIQQPQS-BFQNTYOBSA-N 1 0 392.301 2.448 20 0 GEADRO CC(C)(C[NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Br)cc1 ZINC000551994022 651136677 /nfs/dbraw/zinc/13/66/77/651136677.db2.gz PCMMXBZIAYIGGE-UHFFFAOYSA-N 1 0 390.343 2.256 20 0 GEADRO C[C@@H](NC(=O)CCCOc1cccc(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000552077544 651139582 /nfs/dbraw/zinc/13/95/82/651139582.db2.gz PHAWOIXDCNLVDJ-GFCCVEGCSA-N 1 0 390.311 2.335 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000552173615 651142321 /nfs/dbraw/zinc/14/23/21/651142321.db2.gz XSMKEYVPEVWHLJ-ZDUSSCGKSA-N 1 0 376.507 2.425 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000552195498 651143135 /nfs/dbraw/zinc/14/31/35/651143135.db2.gz OTMDLTCBQRYPOM-BZNIZROVSA-N 1 0 384.307 2.251 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000552568330 651153073 /nfs/dbraw/zinc/15/30/73/651153073.db2.gz LTGPZGQLIYNHQP-TZMCWYRMSA-N 1 0 375.332 2.441 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000552779005 651158072 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GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[N@@H+]1C ZINC000553254462 651169613 /nfs/dbraw/zinc/16/96/13/651169613.db2.gz DAAKXWCPGRVUAM-BDAKNGLRSA-N 1 0 390.228 2.265 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000553318374 651171622 /nfs/dbraw/zinc/17/16/22/651171622.db2.gz GXCMKJQUTXSGIO-UONOGXRCSA-N 1 0 394.313 2.355 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@H](C)C1 ZINC000553318373 651171643 /nfs/dbraw/zinc/17/16/43/651171643.db2.gz GXCMKJQUTXSGIO-KGLIPLIRSA-N 1 0 394.313 2.355 20 0 GEADRO CC[N@@H+]1CCN(C(=O)COc2ccc(I)cc2)[C@@H](C)C1 ZINC000553331034 651172077 /nfs/dbraw/zinc/17/20/77/651172077.db2.gz QXCVGLCYYTWFER-LBPRGKRZSA-N 1 0 388.249 2.223 20 0 GEADRO Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c(Br)c1 ZINC000554220635 651200237 /nfs/dbraw/zinc/20/02/37/651200237.db2.gz APEKGEIHQHRERD-UHFFFAOYSA-N 1 0 396.329 2.480 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000555035361 651216717 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GEADRO CCOC1CC([NH2+]CCCNS(=O)(=O)c2ccccc2Br)C1 ZINC000556914200 651257028 /nfs/dbraw/zinc/25/70/28/651257028.db2.gz XFZWZMLWVCKCBV-UHFFFAOYSA-N 1 0 391.331 2.275 20 0 GEADRO C[C@H](Cn1cccn1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000556912117 651257073 /nfs/dbraw/zinc/25/70/73/651257073.db2.gz QGIHPIFCERIQAJ-LLVKDONJSA-N 1 0 377.297 2.147 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cn1 ZINC000556920267 651257203 /nfs/dbraw/zinc/25/72/03/651257203.db2.gz LJUHEJXTIBCLDD-AAEUAGOBSA-N 1 0 376.320 2.309 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000557018235 651260399 /nfs/dbraw/zinc/26/03/99/651260399.db2.gz VXLKDTTUBLEGCC-NHYWBVRUSA-N 1 0 384.307 2.394 20 0 GEADRO COc1cc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)ccc1Cl ZINC000557083498 651262325 /nfs/dbraw/zinc/26/23/25/651262325.db2.gz OSCUXHOOLIIXIS-UHFFFAOYSA-N 1 0 388.917 2.272 20 0 GEADRO C[NH+]1CCC(C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1 ZINC000557104806 651262978 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GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000558630719 651283724 /nfs/dbraw/zinc/28/37/24/651283724.db2.gz IUCHMLUFXXRJNN-LBPRGKRZSA-N 1 0 394.317 2.081 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000559014164 651289857 /nfs/dbraw/zinc/28/98/57/651289857.db2.gz NPHWFQFZZRVNES-LLVKDONJSA-N 1 0 378.885 2.470 20 0 GEADRO C[N@@H+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1(C)C ZINC000559257235 651293878 /nfs/dbraw/zinc/29/38/78/651293878.db2.gz IDJYPJGQIFPHLW-UHFFFAOYSA-N 1 0 383.286 2.315 20 0 GEADRO C[NH+](C)Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000559268889 651294463 /nfs/dbraw/zinc/29/44/63/651294463.db2.gz MENJZQBHPNNMHU-UHFFFAOYSA-N 1 0 381.885 2.000 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)c1F ZINC000559552417 651297525 /nfs/dbraw/zinc/29/75/25/651297525.db2.gz URTLDYRQFJCRMM-JTQLQIEISA-N 1 0 386.265 2.436 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNCc1ccc(C(=O)OC)cc1Br ZINC000560244023 651305367 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20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CCCOc3c(Br)cccc32)C1 ZINC000560920017 651472324 /nfs/dbraw/zinc/47/23/24/651472324.db2.gz PEWMWDFVNHKFOF-RISCZKNCSA-N 1 0 390.299 2.066 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000642719178 651474056 /nfs/dbraw/zinc/47/40/56/651474056.db2.gz KRJOYOOXRXSEJT-MCIONIFRSA-N 1 0 377.312 2.120 20 0 GEADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000717177058 651474708 /nfs/dbraw/zinc/47/47/08/651474708.db2.gz XQTDAIWQTWOVEU-HIFPTAJRSA-N 1 0 382.473 2.044 20 0 GEADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000717134596 651474810 /nfs/dbraw/zinc/47/48/10/651474810.db2.gz ROUNTYYIVPTDLL-OLZOCXBDSA-N 1 0 382.473 2.046 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)s1 ZINC000717025759 651474838 /nfs/dbraw/zinc/47/48/38/651474838.db2.gz XGPFCYNDIOTWIQ-SSDOTTSWSA-N 1 0 375.260 2.034 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000642921216 651475791 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C[C@@H]1CCC[C@@](CNC(=O)NCCn2cc(Br)cn2)([NH+](C)C)C1 ZINC000561578787 651481344 /nfs/dbraw/zinc/48/13/44/651481344.db2.gz VISSUWYAVXACHW-CZUORRHYSA-N 1 0 386.338 2.455 20 0 GEADRO COC1([C@H](C)[NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCOCC1 ZINC000643257069 651482007 /nfs/dbraw/zinc/48/20/07/651482007.db2.gz SLINTPOYJUSMPW-LBPRGKRZSA-N 1 0 396.285 2.131 20 0 GEADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000561626727 651482684 /nfs/dbraw/zinc/48/26/84/651482684.db2.gz MMHSPBJPCPIWON-LSDHHAIUSA-N 1 0 380.286 2.155 20 0 GEADRO CCOC(=O)CC(C)(C)CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000561867354 651483511 /nfs/dbraw/zinc/48/35/11/651483511.db2.gz SSHUBFNWUQWEMI-HOTGVXAUSA-N 1 0 375.531 2.024 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000643346100 651483660 /nfs/dbraw/zinc/48/36/60/651483660.db2.gz YXRVVXKCVAFQFF-LBPRGKRZSA-N 1 0 380.938 2.378 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000643375391 651484694 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Cc1c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000646846803 651724163 /nfs/dbraw/zinc/72/41/63/651724163.db2.gz WSTFTZQCFPOVTC-BZNIZROVSA-N 1 0 393.285 2.131 20 0 GEADRO Cc1sc2nc(C)nc(SCC(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)c2c1C ZINC000646859712 651724775 /nfs/dbraw/zinc/72/47/75/651724775.db2.gz SLCSTGLEDGTBOW-ZWNOBZJWSA-N 1 0 380.539 2.283 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569808141 651726130 /nfs/dbraw/zinc/72/61/30/651726130.db2.gz LFTAFLQVDFESMA-BZPMIXESSA-N 1 0 386.334 2.334 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000646882477 651726057 /nfs/dbraw/zinc/72/60/57/651726057.db2.gz TVYQBHMJKODJAN-JTQLQIEISA-N 1 0 381.274 2.445 20 0 GEADRO CC[S@](=O)CCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000733880035 651727038 /nfs/dbraw/zinc/72/70/38/651727038.db2.gz SCLBAUFFYYCIFM-LMKMVOKYSA-N 1 0 376.444 2.326 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000646917790 651727513 /nfs/dbraw/zinc/72/75/13/651727513.db2.gz HKVWFPRZGMEBBI-LRDDRELGSA-N 1 0 375.270 2.411 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C3(c4cccc(Br)c4)CC(=O)C3)[C@@H]2C1 ZINC000646919040 651727794 /nfs/dbraw/zinc/72/77/94/651727794.db2.gz DNGBSVQYYPUMGU-BLLLJJGKSA-N 1 0 377.282 2.212 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000569838904 651727914 /nfs/dbraw/zinc/72/79/14/651727914.db2.gz UMLXOSJZFBVGEQ-VBNZEHGJSA-N 1 0 394.295 2.143 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000569848623 651728708 /nfs/dbraw/zinc/72/87/08/651728708.db2.gz JWUKBPJXVMAVDP-ZOWXZIJZSA-N 1 0 382.302 2.296 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NCCC[NH2+]C(C)C)cc1C(F)(F)F ZINC000569845929 651728766 /nfs/dbraw/zinc/72/87/66/651728766.db2.gz UWOJUOCHWKJNHQ-UHFFFAOYSA-N 1 0 382.404 2.158 20 0 GEADRO C[C@@H]1SCC[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000646936035 651729199 /nfs/dbraw/zinc/72/91/99/651729199.db2.gz PAZLFPPKKYDBND-DZGCQCFKSA-N 1 0 379.551 2.184 20 0 GEADRO Brc1ccccc1-n1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)nn1 ZINC000569861345 651729678 /nfs/dbraw/zinc/72/96/78/651729678.db2.gz WEXXLYHGMDALGC-DYVFJYSZSA-N 1 0 393.285 2.458 20 0 GEADRO CC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(I)cc1 ZINC000611559945 651729928 /nfs/dbraw/zinc/72/99/28/651729928.db2.gz REIRNBJIVLGTRW-CYBMUJFWSA-N 1 0 398.248 2.485 20 0 GEADRO CCCN(C(=O)C(=O)NCCSc1ccc(Cl)cc1)[C@H]1CC[N@H+](C)C1 ZINC000646974730 651731123 /nfs/dbraw/zinc/73/11/23/651731123.db2.gz NHMNKRJLCFCTIN-HNNXBMFYSA-N 1 0 383.945 2.491 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ncc(Br)cc1Br ZINC000646985932 651731754 /nfs/dbraw/zinc/73/17/54/651731754.db2.gz NDBGHDBQLBIBPY-SECBINFHSA-N 1 0 377.080 2.479 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C)CCC[NH3+] ZINC000647062916 651732785 /nfs/dbraw/zinc/73/27/85/651732785.db2.gz PFADZXIKJNDEQR-SWLSCSKDSA-N 1 0 384.318 2.447 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC000611695922 651733092 /nfs/dbraw/zinc/73/30/92/651733092.db2.gz IGXUOYCZGSDLTM-UHFFFAOYSA-N 1 0 394.269 2.291 20 0 GEADRO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000569938789 651735054 /nfs/dbraw/zinc/73/50/54/651735054.db2.gz ZGPXJHMEQXQPIR-INIZCTEOSA-N 1 0 394.317 2.446 20 0 GEADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000647200690 651735349 /nfs/dbraw/zinc/73/53/49/651735349.db2.gz ZPKRPVBVHUEQLG-KBPBESRZSA-N 1 0 388.917 2.115 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000647201545 651735364 /nfs/dbraw/zinc/73/53/64/651735364.db2.gz RGKUQPXUPKASLD-OCCSQVGLSA-N 1 0 376.906 2.174 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000569958446 651736773 /nfs/dbraw/zinc/73/67/73/651736773.db2.gz JRMLDBYZDWYLRI-HNNXBMFYSA-N 1 0 389.315 2.018 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[NH2+]CC3(C)C)cc21 ZINC000647228525 651737853 /nfs/dbraw/zinc/73/78/53/651737853.db2.gz BXMIQDHOCJDHON-UHFFFAOYSA-N 1 0 386.315 2.313 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(OC)c2)CC[C@@H]1[NH3+] ZINC000647269144 651738227 /nfs/dbraw/zinc/73/82/27/651738227.db2.gz MVHQSGWBBYTDJG-YGRLFVJLSA-N 1 0 377.304 2.206 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000611948207 651738330 /nfs/dbraw/zinc/73/83/30/651738330.db2.gz NBCBWSFNUGHQMI-HNNXBMFYSA-N 1 0 396.329 2.097 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000611949167 651738919 /nfs/dbraw/zinc/73/89/19/651738919.db2.gz RKQFHJLZXURRIA-OAHLLOKOSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@@H](C)[NH+]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000570017905 651740098 /nfs/dbraw/zinc/74/00/98/651740098.db2.gz KMQLVEAVGSZDJO-CYBMUJFWSA-N 1 0 379.302 2.373 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)s1 ZINC000647286301 651741121 /nfs/dbraw/zinc/74/11/21/651741121.db2.gz JZMVZHVODXTEDP-LLVKDONJSA-N 1 0 379.507 2.027 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647284147 651741161 /nfs/dbraw/zinc/74/11/61/651741161.db2.gz DSQCBYMJCQFCEW-IINYFYTJSA-N 1 0 386.315 2.217 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@](C)(O)C(F)(F)F)s1 ZINC000570036515 651741064 /nfs/dbraw/zinc/74/10/64/651741064.db2.gz ARHZAGDQFBUNQH-CYBMUJFWSA-N 1 0 388.477 2.224 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000647292999 651742185 /nfs/dbraw/zinc/74/21/85/651742185.db2.gz OXPWHLVBFPZPBB-UWVGGRQHSA-N 1 0 383.258 2.217 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647303089 651742798 /nfs/dbraw/zinc/74/27/98/651742798.db2.gz IVJSTDHIUYBEHP-AWEZNQCLSA-N 1 0 389.315 2.187 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647305096 651743215 /nfs/dbraw/zinc/74/32/15/651743215.db2.gz PHWHFLSIGNFYEK-QWRGUYRKSA-N 1 0 385.686 2.222 20 0 GEADRO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000647326380 651744510 /nfs/dbraw/zinc/74/45/10/651744510.db2.gz CPGFLDUTDCKRQD-SECBINFHSA-N 1 0 392.312 2.053 20 0 GEADRO COC(=O)c1ccccc1OCC[N@H+](C)CCn1cc(Br)cn1 ZINC000570123302 651748471 /nfs/dbraw/zinc/74/84/71/651748471.db2.gz IRVLRWMJBYEJJZ-UHFFFAOYSA-N 1 0 382.258 2.443 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000734505767 651748691 /nfs/dbraw/zinc/74/86/91/651748691.db2.gz QDTASSWFQBMCMR-QKAYDNCFSA-N 1 0 383.945 2.352 20 0 GEADRO CC[C@H](NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1)c1ccc(Cl)s1 ZINC000570168826 651751105 /nfs/dbraw/zinc/75/11/05/651751105.db2.gz NRQXKWBBYNZMQT-ZDUSSCGKSA-N 1 0 387.933 2.196 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000612304906 651751561 /nfs/dbraw/zinc/75/15/61/651751561.db2.gz RTQWYNPRJHBAAO-IINYFYTJSA-N 1 0 381.270 2.433 20 0 GEADRO CN(CCN1CC[NH2+]CC1)C(=O)CCSc1ccccc1Br ZINC000647775452 651758653 /nfs/dbraw/zinc/75/86/53/651758653.db2.gz PETOHHFIGXWKLU-UHFFFAOYSA-N 1 0 386.359 2.295 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000570306332 651759840 /nfs/dbraw/zinc/75/98/40/651759840.db2.gz OIGQUFKZWSVJHM-OAHLLOKOSA-N 1 0 381.318 2.327 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000612547338 651760806 /nfs/dbraw/zinc/76/08/06/651760806.db2.gz BRACTPHQUNTABA-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]2c2ccc(Br)cc2)C1 ZINC000612544258 651760937 /nfs/dbraw/zinc/76/09/37/651760937.db2.gz XPRDRNZRDRUSKI-CVEARBPZSA-N 1 0 394.313 2.323 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000647822034 651761437 /nfs/dbraw/zinc/76/14/37/651761437.db2.gz PMOWBUUHWMXZDU-BZUAXINKSA-N 1 0 395.297 2.247 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000647830913 651761828 /nfs/dbraw/zinc/76/18/28/651761828.db2.gz CLHKCLGHZWIXSC-IPYPFGDCSA-N 1 0 394.313 2.353 20 0 GEADRO C[C@@H](NC(=O)[C@@H](C)N(C)CCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000647835384 651762624 /nfs/dbraw/zinc/76/26/24/651762624.db2.gz WNTRSKYVOVXKRM-ZIAGYGMSSA-N 1 0 387.355 2.396 20 0 GEADRO COC[C@@H](C)OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000570444668 651767672 /nfs/dbraw/zinc/76/76/72/651767672.db2.gz JHMQBVXJYNLEGP-YGSHXTJESA-N 1 0 376.266 2.446 20 0 GEADRO COC[C@@H](C)OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000570444666 651767694 /nfs/dbraw/zinc/76/76/94/651767694.db2.gz JHMQBVXJYNLEGP-QOFRNUMZSA-N 1 0 376.266 2.446 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000570444669 651767757 /nfs/dbraw/zinc/76/77/57/651767757.db2.gz JHMQBVXJYNLEGP-YPHNTLSLSA-N 1 0 376.266 2.446 20 0 GEADRO CC(C)[N@H+](C)C[C@H](O)CN(CCO)Cc1cc(Br)ccc1F ZINC000647962268 651768000 /nfs/dbraw/zinc/76/80/00/651768000.db2.gz WIVBLNISCUCQSG-HNNXBMFYSA-N 1 0 377.298 2.084 20 0 GEADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000570477763 651770083 /nfs/dbraw/zinc/77/00/83/651770083.db2.gz BWCJDCCBQLKXOF-UONOGXRCSA-N 1 0 381.929 2.464 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1C[NH2+]CCC1(F)F ZINC000648021217 651770424 /nfs/dbraw/zinc/77/04/24/651770424.db2.gz BYRWANZUOCUWKT-VHSXEESVSA-N 1 0 383.222 2.094 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCn1cc(Br)ccc1=O ZINC000570535802 651773183 /nfs/dbraw/zinc/77/31/83/651773183.db2.gz RQNCQQNEQNUZBU-OAHLLOKOSA-N 1 0 399.333 2.127 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1CC1=Cc2cc(Br)ccc2OC1 ZINC000648065166 651773545 /nfs/dbraw/zinc/77/35/45/651773545.db2.gz WLCYNRHOIIOZNV-ZDUSSCGKSA-N 1 0 394.313 2.277 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000612870125 651774014 /nfs/dbraw/zinc/77/40/14/651774014.db2.gz CCRRLIVJPWSPDT-INIZCTEOSA-N 1 0 382.258 2.147 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[NH+]1CCCC1 ZINC000570565707 651774889 /nfs/dbraw/zinc/77/48/89/651774889.db2.gz VTVIQQLDALBVJU-NSHDSACASA-N 1 0 398.276 2.078 20 0 GEADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCOc2ccc(Br)cc2C1 ZINC000648173814 651774974 /nfs/dbraw/zinc/77/49/74/651774974.db2.gz SJPNYNQVIILXBY-LBPRGKRZSA-N 1 0 375.213 2.415 20 0 GEADRO [NH3+]Cc1ccc(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000648201882 651776373 /nfs/dbraw/zinc/77/63/73/651776373.db2.gz KMTDHFSRCWKDCY-UHFFFAOYSA-N 1 0 378.881 2.421 20 0 GEADRO CO[C@@H]1C[C@@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C12CCC2 ZINC000570609701 651777884 /nfs/dbraw/zinc/77/78/84/651777884.db2.gz LRCPNBMCFZRBIV-ZIAGYGMSSA-N 1 0 378.274 2.472 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[NH2+]C[C@](C)(F)C1 ZINC000570721731 651786587 /nfs/dbraw/zinc/78/65/87/651786587.db2.gz ATHBBQYBWGVDKS-GUYCJALGSA-N 1 0 386.309 2.429 20 0 GEADRO O=C(NCc1cnn(CC(F)(F)F)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000570736889 651787699 /nfs/dbraw/zinc/78/76/99/651787699.db2.gz JTIUZBLQVOHBCY-AWEZNQCLSA-N 1 0 376.448 2.279 20 0 GEADRO C[NH+]1CCN(CCNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000735622032 651788638 /nfs/dbraw/zinc/78/86/38/651788638.db2.gz YSUUGANMMSKHPA-UHFFFAOYSA-N 1 0 378.876 2.475 20 0 GEADRO CO[C@H]1CCN(C(=O)c2c(F)cccc2I)[C@H](C[NH3+])C1 ZINC000570792955 651791276 /nfs/dbraw/zinc/79/12/76/651791276.db2.gz FFBSWZZLBUIVIG-UWVGGRQHSA-N 1 0 392.212 2.009 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000613663333 651791398 /nfs/dbraw/zinc/79/13/98/651791398.db2.gz XGCFDPLXQAVXPZ-ZIAGYGMSSA-N 1 0 378.274 2.242 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(Cl)cc1I)Cn1cccn1 ZINC000570794923 651791844 /nfs/dbraw/zinc/79/18/44/651791844.db2.gz JLSCPZOSICKGHZ-LBPRGKRZSA-N 1 0 391.640 2.292 20 0 GEADRO C[C@@H]1[C@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC[N@@H+]1C ZINC000648714707 651796401 /nfs/dbraw/zinc/79/64/01/651796401.db2.gz WNCYMUGHHSMSIA-TZMCWYRMSA-N 1 0 385.917 2.403 20 0 GEADRO C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000570884172 651797899 /nfs/dbraw/zinc/79/78/99/651797899.db2.gz REQOTYWRVYAVSA-RYUDHWBXSA-N 1 0 390.347 2.089 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000570904477 651799051 /nfs/dbraw/zinc/79/90/51/651799051.db2.gz ZUFNOXJEFRVKCH-NSHDSACASA-N 1 0 396.285 2.242 20 0 GEADRO C[C@@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)n1cc(Br)cn1 ZINC000648770674 651801124 /nfs/dbraw/zinc/80/11/24/651801124.db2.gz WILNUNBUIGBQPV-ZFWWWQNUSA-N 1 0 387.322 2.166 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC[N@@H+]1C ZINC000613968392 651805224 /nfs/dbraw/zinc/80/52/24/651805224.db2.gz RGEWADKTAWDJNH-ZDUSSCGKSA-N 1 0 381.274 2.443 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)Cc1ccccc1)c1cccc(Br)c1 ZINC000571047399 651808128 /nfs/dbraw/zinc/80/81/28/651808128.db2.gz UCGPMXADNRDMGY-INIZCTEOSA-N 1 0 398.322 2.416 20 0 GEADRO O=C(CCCSc1ccc(Cl)cc1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000571079745 651809680 /nfs/dbraw/zinc/80/96/80/651809680.db2.gz CIQVJPWLPBIOOQ-UHFFFAOYSA-N 1 0 380.905 2.379 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000614065601 651811409 /nfs/dbraw/zinc/81/14/09/651811409.db2.gz QNBYWAQSOMDTCZ-INIZCTEOSA-N 1 0 391.256 2.185 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCCc1ccccc1Br ZINC000649072234 651813620 /nfs/dbraw/zinc/81/36/20/651813620.db2.gz ATTBYPCPJYRVJO-AWEZNQCLSA-N 1 0 396.329 2.350 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000571153868 651813747 /nfs/dbraw/zinc/81/37/47/651813747.db2.gz XMIXTXHKWJGXRV-WBVHZDCISA-N 1 0 386.945 2.037 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000571194366 651816338 /nfs/dbraw/zinc/81/63/38/651816338.db2.gz FDDHAURVKRQLLM-SMDDNHRTSA-N 1 0 383.286 2.491 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000571194363 651816513 /nfs/dbraw/zinc/81/65/13/651816513.db2.gz FDDHAURVKRQLLM-BXUZGUMPSA-N 1 0 383.286 2.491 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)COc1ccc(Br)cc1)CCO2 ZINC000649135847 651817058 /nfs/dbraw/zinc/81/70/58/651817058.db2.gz KVRFQMHXRRRAHG-UHFFFAOYSA-N 1 0 383.286 2.151 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H](O)COc1ccccc1Br ZINC000571204139 651817589 /nfs/dbraw/zinc/81/75/89/651817589.db2.gz QNSWQBPLLHWLGS-KCQAQPDRSA-N 1 0 385.302 2.213 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000571283961 651823256 /nfs/dbraw/zinc/82/32/56/651823256.db2.gz JJMKDBOIEONCQA-CABCVRRESA-N 1 0 391.339 2.416 20 0 GEADRO Cc1nc([C@H]2CCN([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)n[nH]1 ZINC000571292224 651823748 /nfs/dbraw/zinc/82/37/48/651823748.db2.gz SBHOBLPQSBMHNL-WFASDCNBSA-N 1 0 390.285 2.470 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)CC[NH2+]C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000571297806 651824284 /nfs/dbraw/zinc/82/42/84/651824284.db2.gz NGNWVSIZKKXJPW-JKSUJKDBSA-N 1 0 395.297 2.306 20 0 GEADRO NS(=O)(=O)c1ccccc1N1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000649470412 651827368 /nfs/dbraw/zinc/82/73/68/651827368.db2.gz CTFUGDKVFHFHLJ-UHFFFAOYSA-N 1 0 379.913 2.352 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCc1nccs1 ZINC000736641763 651829770 /nfs/dbraw/zinc/82/97/70/651829770.db2.gz MDQSLFSEQJYLSP-LBPRGKRZSA-N 1 0 388.946 2.383 20 0 GEADRO COC[C@]1(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC[NH2+]C1 ZINC000571395000 651830272 /nfs/dbraw/zinc/83/02/72/651830272.db2.gz KWYIOCWGBODFBG-ABAIWWIYSA-N 1 0 377.432 2.494 20 0 GEADRO COC[C@@]1(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC[NH2+]C1 ZINC000571395003 651830328 /nfs/dbraw/zinc/83/03/28/651830328.db2.gz KWYIOCWGBODFBG-XHDPSFHLSA-N 1 0 377.432 2.494 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000614633380 651830994 /nfs/dbraw/zinc/83/09/94/651830994.db2.gz NDEFKEKUJMIOOD-CQSZACIVSA-N 1 0 376.507 2.143 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000571415132 651831420 /nfs/dbraw/zinc/83/14/20/651831420.db2.gz JYQXTHVOAFNBHU-SECBINFHSA-N 1 0 394.191 2.356 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1Cl ZINC000571422999 651831983 /nfs/dbraw/zinc/83/19/83/651831983.db2.gz CTURSUXUOXCQFP-UHFFFAOYSA-N 1 0 384.929 2.264 20 0 GEADRO Cc1nc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(Br)s1 ZINC000571462401 651833770 /nfs/dbraw/zinc/83/37/70/651833770.db2.gz ORESYXGGFNZVEM-UHFFFAOYSA-N 1 0 387.347 2.068 20 0 GEADRO C[C@@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000571515061 651836884 /nfs/dbraw/zinc/83/68/84/651836884.db2.gz NYKMIGDWMJIQLA-XFBWCDHKSA-N 1 0 392.301 2.380 20 0 GEADRO CC(C)Cc1ccc([C@H](CNc2ncc(S(N)(=O)=O)s2)[NH+](C)C)cc1 ZINC000571556610 651839891 /nfs/dbraw/zinc/83/98/91/651839891.db2.gz RRDIQKNWSJWOAR-HNNXBMFYSA-N 1 0 382.555 2.704 20 0 GEADRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000614849770 651841294 /nfs/dbraw/zinc/84/12/94/651841294.db2.gz NYUOKOUCCWUDHI-NSHDSACASA-N 1 0 388.251 2.213 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000571643989 651845407 /nfs/dbraw/zinc/84/54/07/651845407.db2.gz JBSNXKNTYHBDKX-CHWSQXEVSA-N 1 0 381.523 2.082 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000571743030 651850689 /nfs/dbraw/zinc/85/06/89/651850689.db2.gz VQIIVIARZMORGJ-UHFFFAOYSA-N 1 0 377.819 2.427 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)CCCc2cccc(Br)c2)CC1=O ZINC000650306641 651855034 /nfs/dbraw/zinc/85/50/34/651855034.db2.gz VLYQEUPTECXKKQ-UHFFFAOYSA-N 1 0 396.329 2.004 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC1(O)CCC1 ZINC000571844483 651856995 /nfs/dbraw/zinc/85/69/95/651856995.db2.gz CQWLMOWPBLXYED-NSHDSACASA-N 1 0 388.249 2.465 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC1(O)CCC1 ZINC000571844482 651857102 /nfs/dbraw/zinc/85/71/02/651857102.db2.gz CQWLMOWPBLXYED-LLVKDONJSA-N 1 0 388.249 2.465 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccc(Br)cc1O ZINC000615268294 651858667 /nfs/dbraw/zinc/85/86/67/651858667.db2.gz GHOLSEVMGRJUBH-GJZGRUSLSA-N 1 0 383.286 2.019 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000615265938 651858781 /nfs/dbraw/zinc/85/87/81/651858781.db2.gz KJBITKWEKRWMCR-LSDHHAIUSA-N 1 0 393.285 2.261 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)C3(c4ccccc4Br)CC3)C2)CC1 ZINC000615272773 651859286 /nfs/dbraw/zinc/85/92/86/651859286.db2.gz KRBJJNCOKMXLRC-UHFFFAOYSA-N 1 0 392.341 2.187 20 0 GEADRO O=C(CC[NH2+]C[C@H]1CCCCN1CCO)Nc1ccc(Br)cc1 ZINC000571882029 651859884 /nfs/dbraw/zinc/85/98/84/651859884.db2.gz LTOHICHHXOBVPB-MRXNPFEDSA-N 1 0 384.318 2.214 20 0 GEADRO CC(C)(C[NH2+]Cc1c(F)ccc(I)c1F)OCCO ZINC000571919166 651861817 /nfs/dbraw/zinc/86/18/17/651861817.db2.gz ZVZXGQWVNVLFTF-UHFFFAOYSA-N 1 0 385.192 2.447 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@H](C)[N@H+]1C ZINC000615369921 651863141 /nfs/dbraw/zinc/86/31/41/651863141.db2.gz MWJWSFRHTTYETP-KOZAUXTDSA-N 1 0 382.302 2.473 20 0 GEADRO CSc1ccc([C@@H](CNC(=O)c2sccc2S(N)(=O)=O)[NH+](C)C)cc1 ZINC000615416105 651864127 /nfs/dbraw/zinc/86/41/27/651864127.db2.gz PFVOOKWOROQCGE-CYBMUJFWSA-N 1 0 399.563 2.150 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000571982802 651865020 /nfs/dbraw/zinc/86/50/20/651865020.db2.gz HNSLCBXRMSOUNV-MRVPVSSYSA-N 1 0 392.681 2.293 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)COc1ccc(Br)cc1 ZINC000571994347 651865974 /nfs/dbraw/zinc/86/59/74/651865974.db2.gz OQEMKDJPEKWYAD-OLZOCXBDSA-N 1 0 397.235 2.415 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000572017655 651868124 /nfs/dbraw/zinc/86/81/24/651868124.db2.gz GBPNCPMFVLPUED-LSDHHAIUSA-N 1 0 386.901 2.422 20 0 GEADRO CO[C@@H]1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)[C@@H](C[NH3+])C1 ZINC000572040527 651869273 /nfs/dbraw/zinc/86/92/73/651869273.db2.gz FKEOQHSNWDYRGC-JMSVASOKSA-N 1 0 383.901 2.108 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000572059037 651870294 /nfs/dbraw/zinc/87/02/94/651870294.db2.gz JTTFGZQRJCGCSO-SNVBAGLBSA-N 1 0 395.294 2.312 20 0 GEADRO COc1ccc(CCC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000615656912 651870555 /nfs/dbraw/zinc/87/05/55/651870555.db2.gz JHRIRBIYSCHWNJ-HNNXBMFYSA-N 1 0 399.329 2.353 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000572104454 651873310 /nfs/dbraw/zinc/87/33/10/651873310.db2.gz MHELIBGCKFAMDG-OAHLLOKOSA-N 1 0 381.318 2.327 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000572102123 651873405 /nfs/dbraw/zinc/87/34/05/651873405.db2.gz RQLWONXVZMUECQ-BETUJISGSA-N 1 0 380.286 2.154 20 0 GEADRO CC[N@H+](CCCNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1CCCCC1 ZINC000651220592 651876320 /nfs/dbraw/zinc/87/63/20/651876320.db2.gz NIKXRMPNOVMQBP-CVEARBPZSA-N 1 0 375.579 2.494 20 0 GEADRO O=C(NCc1n[nH]cc1Br)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000572253404 651881426 /nfs/dbraw/zinc/88/14/26/651881426.db2.gz LGVZVSBKCQQRAD-NWDGAFQWSA-N 1 0 383.677 2.445 20 0 GEADRO Cc1csc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000572389292 651889416 /nfs/dbraw/zinc/88/94/16/651889416.db2.gz KDNLGSSPRXRIBV-CYBMUJFWSA-N 1 0 380.539 2.281 20 0 GEADRO CO[C@H](C[NH3+])CC(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000572397682 651889696 /nfs/dbraw/zinc/88/96/96/651889696.db2.gz HUDBXNNOKBYLNJ-INIZCTEOSA-N 1 0 381.270 2.461 20 0 GEADRO O=S(=O)(c1cc(Br)ccc1F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572404527 651890327 /nfs/dbraw/zinc/89/03/27/651890327.db2.gz NNNBOUVIHUKEDH-CQSZACIVSA-N 1 0 377.279 2.352 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2Cl)[C@H](C)C1 ZINC000738379453 651894712 /nfs/dbraw/zinc/89/47/12/651894712.db2.gz CFQZZKYYKAZYDE-ZIAGYGMSSA-N 1 0 375.922 2.150 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000572484227 651895576 /nfs/dbraw/zinc/89/55/76/651895576.db2.gz HWQUJYIVDXFWLE-HUBLWGQQSA-N 1 0 399.333 2.269 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)NCCOc2ccc(I)cc2)C1 ZINC000572540756 651898790 /nfs/dbraw/zinc/89/87/90/651898790.db2.gz IMVGQMMSPZGCGJ-LBPRGKRZSA-N 1 0 388.249 2.128 20 0 GEADRO Cc1cc(Br)cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1C ZINC000616478302 651902491 /nfs/dbraw/zinc/90/24/91/651902491.db2.gz OLORKHIROKGGFE-ZDUSSCGKSA-N 1 0 382.302 2.258 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1Cl ZINC000651925364 651904096 /nfs/dbraw/zinc/90/40/96/651904096.db2.gz FAQFPRNKZMDWQO-UHFFFAOYSA-N 1 0 376.906 2.464 20 0 GEADRO 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ZINC000623653255 652252116 /nfs/dbraw/zinc/25/21/16/652252116.db2.gz CCGODOTZZVMUOZ-LLVKDONJSA-N 1 0 379.287 2.317 20 0 GEADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCN(Cc2cscn2)CC1 ZINC000578203266 652252902 /nfs/dbraw/zinc/25/29/02/652252902.db2.gz MMUYYVPXTGQOKY-QGZVFWFLSA-N 1 0 380.583 2.005 20 0 GEADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCN(Cc2cscn2)CC1 ZINC000578203265 652252989 /nfs/dbraw/zinc/25/29/89/652252989.db2.gz MMUYYVPXTGQOKY-KRWDZBQOSA-N 1 0 380.583 2.005 20 0 GEADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)ncc1Br ZINC000623671586 652253438 /nfs/dbraw/zinc/25/34/38/652253438.db2.gz LDDQVZYKPNYIIU-ZIAGYGMSSA-N 1 0 376.320 2.103 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000658354608 652255105 /nfs/dbraw/zinc/25/51/05/652255105.db2.gz BZNQJWYEIUKCDX-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(F)cc(Br)c1F)[C@@H]1CC[N@H+](C)C1 ZINC000658359475 652255511 /nfs/dbraw/zinc/25/55/11/652255511.db2.gz BHVFUTHEAAWERH-SNVBAGLBSA-N 1 0 390.228 2.218 20 0 GEADRO CC(C)OC[C@H](O)C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000578237196 652256086 /nfs/dbraw/zinc/25/60/86/652256086.db2.gz CXZWQCYPWWLDKE-IUODEOHRSA-N 1 0 378.282 2.115 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(=O)n1C ZINC000578254745 652256519 /nfs/dbraw/zinc/25/65/19/652256519.db2.gz MQFRIMOWPNVRNS-BFQNTYOBSA-N 1 0 396.329 2.259 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000623749541 652257881 /nfs/dbraw/zinc/25/78/81/652257881.db2.gz JGIGPKDBKMWESG-IINYFYTJSA-N 1 0 383.290 2.135 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@H]1C[NH3+] ZINC000658368735 652257841 /nfs/dbraw/zinc/25/78/41/652257841.db2.gz MXCXAATVSGLPSL-YGRLFVJLSA-N 1 0 379.295 2.477 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658368252 652258118 /nfs/dbraw/zinc/25/81/18/652258118.db2.gz YDZKCTKZJIRUAC-CYBMUJFWSA-N 1 0 379.295 2.492 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000658365780 652258211 /nfs/dbraw/zinc/25/82/11/652258211.db2.gz VKBSKVDAKBDJKZ-UHFFFAOYSA-N 1 0 377.304 2.268 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000658370964 652258497 /nfs/dbraw/zinc/25/84/97/652258497.db2.gz IPNDIWVOYJSVFP-RKDXNWHRSA-N 1 0 381.267 2.145 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000658370718 652258605 /nfs/dbraw/zinc/25/86/05/652258605.db2.gz UKFJMQXGWJXVPH-LBPRGKRZSA-N 1 0 377.304 2.254 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000658374282 652259376 /nfs/dbraw/zinc/25/93/76/652259376.db2.gz MFCMFTJNFPQWGS-HZMBPMFUSA-N 1 0 377.279 2.102 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000658379427 652260567 /nfs/dbraw/zinc/26/05/67/652260567.db2.gz QPDRGXGADAQYON-OAHLLOKOSA-N 1 0 391.306 2.494 20 0 GEADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)ccc1OC(F)(F)F ZINC000658380627 652261168 /nfs/dbraw/zinc/26/11/68/652261168.db2.gz VXPQVTZZTXADPS-IUCAKERBSA-N 1 0 376.759 2.217 20 0 GEADRO O=S(=O)(c1ncccc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000658380635 652261395 /nfs/dbraw/zinc/26/13/95/652261395.db2.gz WFDUKKIMYMSYDN-CHWSQXEVSA-N 1 0 388.331 2.244 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000658381386 652261939 /nfs/dbraw/zinc/26/19/39/652261939.db2.gz LHQDQFMRCAKIMU-SECBINFHSA-N 1 0 381.267 2.017 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1Cl ZINC000658390290 652263513 /nfs/dbraw/zinc/26/35/13/652263513.db2.gz VLVHDYIKOQTQJW-UHFFFAOYSA-N 1 0 385.711 2.469 20 0 GEADRO CCCOc1c(Br)cc(C[NH2+]CCN2CC[C@H](O)C2)cc1OC ZINC000623835917 652263925 /nfs/dbraw/zinc/26/39/25/652263925.db2.gz CLNWWODQJRFONT-AWEZNQCLSA-N 1 0 387.318 2.403 20 0 GEADRO CCOC[C@@H](C)CS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000658391331 652264373 /nfs/dbraw/zinc/26/43/73/652264373.db2.gz AGKMIVFAENCKEE-SUYBPPKGSA-N 1 0 376.469 2.002 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NCC2([NH3+])CCCC2)cc1Br ZINC000658390418 652264459 /nfs/dbraw/zinc/26/44/59/652264459.db2.gz QAVBLTABADIRJG-UHFFFAOYSA-N 1 0 393.303 2.016 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000658392438 652264706 /nfs/dbraw/zinc/26/47/06/652264706.db2.gz HLRBFVBEBQYWFM-HZPDHXFCSA-N 1 0 383.514 2.198 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000578350169 652264713 /nfs/dbraw/zinc/26/47/13/652264713.db2.gz GYDFWZBATIVECA-CYBMUJFWSA-N 1 0 392.905 2.012 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000658401324 652265721 /nfs/dbraw/zinc/26/57/21/652265721.db2.gz CKXMAPMVWFOXSI-LBPRGKRZSA-N 1 0 375.897 2.420 20 0 GEADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000658405964 652266661 /nfs/dbraw/zinc/26/66/61/652266661.db2.gz BZQJWNSBDGXPIU-CYBMUJFWSA-N 1 0 378.336 2.167 20 0 GEADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000658410275 652267250 /nfs/dbraw/zinc/26/72/50/652267250.db2.gz IMDVWDFCDLZJSC-SSDOTTSWSA-N 1 0 375.210 2.354 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658424127 652269023 /nfs/dbraw/zinc/26/90/23/652269023.db2.gz LWPSVXSKEKBYQS-LLVKDONJSA-N 1 0 386.290 2.161 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)sc1C(F)(F)F ZINC000578410501 652269903 /nfs/dbraw/zinc/26/99/03/652269903.db2.gz NDUZQFISPRCLTB-UHFFFAOYSA-N 1 0 378.420 2.399 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000624097340 652270019 /nfs/dbraw/zinc/27/00/19/652270019.db2.gz UBTBQDZZFKEJHU-WCQYABFASA-N 1 0 378.261 2.318 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000624097341 652270330 /nfs/dbraw/zinc/27/03/30/652270330.db2.gz UBTBQDZZFKEJHU-YPMHNXCESA-N 1 0 378.261 2.318 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[NH+](C)C ZINC000658427125 652270390 /nfs/dbraw/zinc/27/03/90/652270390.db2.gz IBPABWDISBHSGP-VIFPVBQESA-N 1 0 376.682 2.497 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cccc(Br)c1Cl)[NH+](C)C ZINC000658429682 652270857 /nfs/dbraw/zinc/27/08/57/652270857.db2.gz UTKCCSROWJDYRV-SECBINFHSA-N 1 0 376.682 2.497 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F)[NH+](C)C ZINC000658429208 652271205 /nfs/dbraw/zinc/27/12/05/652271205.db2.gz QFWONYPENRUBAK-JTQLQIEISA-N 1 0 377.819 2.379 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)c(F)cc1Br ZINC000749919065 652272993 /nfs/dbraw/zinc/27/29/93/652272993.db2.gz IVCGWJOKYDRTOW-UWVGGRQHSA-N 1 0 375.213 2.320 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000578442794 652273347 /nfs/dbraw/zinc/27/33/47/652273347.db2.gz INECEBLCCGAZRI-HZMBPMFUSA-N 1 0 397.324 2.295 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000624194195 652275319 /nfs/dbraw/zinc/27/53/19/652275319.db2.gz BFPDSKZWXJEPIW-LBPRGKRZSA-N 1 0 385.306 2.384 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(F)cc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000658461718 652275687 /nfs/dbraw/zinc/27/56/87/652275687.db2.gz DUFIVXLOOLZWIX-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO CCN(C(=O)C(=O)N1CCc2c1cccc2Br)[C@H]1CC[N@H+](CC)C1 ZINC000658467737 652276715 /nfs/dbraw/zinc/27/67/15/652276715.db2.gz NXPKFKGVQUVFOS-ZDUSSCGKSA-N 1 0 394.313 2.281 20 0 GEADRO Cc1c([C@H](C)NCC[N@@H+]2CC[C@@H](O)C2)nnn1-c1cccc(Br)c1 ZINC000624227045 652277556 /nfs/dbraw/zinc/27/75/56/652277556.db2.gz FBCLXNRDMGSJNT-BLLLJJGKSA-N 1 0 394.317 2.055 20 0 GEADRO CCN(C(=O)C(=O)Nc1c(F)cccc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000658469155 652277903 /nfs/dbraw/zinc/27/79/03/652277903.db2.gz WDPOKWUYOQGFAX-LLVKDONJSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624285147 652279881 /nfs/dbraw/zinc/27/98/81/652279881.db2.gz KLVNCNGEOPFDFC-SNVBAGLBSA-N 1 0 399.866 2.370 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3Br)C[C@H]12 ZINC000578606673 652281721 /nfs/dbraw/zinc/28/17/21/652281721.db2.gz FOQDUPGLMHIUPD-WCABBAIRSA-N 1 0 386.677 2.237 20 0 GEADRO CC[C@H]([NH2+]CCN(C)CC(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000624327730 652282050 /nfs/dbraw/zinc/28/20/50/652282050.db2.gz IPSWUOHKTMXAIV-ZDUSSCGKSA-N 1 0 383.892 2.486 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000578618490 652283165 /nfs/dbraw/zinc/28/31/65/652283165.db2.gz BLKYVRJGWAWTHG-IOASZLSFSA-N 1 0 387.318 2.017 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000624365905 652283951 /nfs/dbraw/zinc/28/39/51/652283951.db2.gz JQKYQBPFBFAFLH-CYBMUJFWSA-N 1 0 377.279 2.317 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000578650937 652285517 /nfs/dbraw/zinc/28/55/17/652285517.db2.gz SNQUIRKBPLPXFY-ZJUUUORDSA-N 1 0 395.294 2.393 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)CC12CCOCC2 ZINC000578649811 652285896 /nfs/dbraw/zinc/28/58/96/652285896.db2.gz MLPTWEYFQHSDOF-DOMZBBRYSA-N 1 0 395.297 2.139 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC[C@H]1C(F)(F)F ZINC000624390695 652287275 /nfs/dbraw/zinc/28/72/75/652287275.db2.gz GGYGRVJKXLSCQC-WCBMZHEXSA-N 1 0 391.337 2.248 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)c1F 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397.313 2.430 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1cccnc1OCC(F)F ZINC000624961223 652314905 /nfs/dbraw/zinc/31/49/05/652314905.db2.gz OZVKABJKTULEOV-CHWSQXEVSA-N 1 0 377.457 2.267 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cccnc1OCC(F)F)C(C)(C)C ZINC000624974048 652316685 /nfs/dbraw/zinc/31/66/85/652316685.db2.gz JSVABLFDLVEZJB-CYBMUJFWSA-N 1 0 379.473 2.370 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(Br)c1 ZINC000579112862 652317767 /nfs/dbraw/zinc/31/77/67/652317767.db2.gz OKWVZSWDOHBQSP-ZDUSSCGKSA-N 1 0 384.299 2.093 20 0 GEADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=S)NCc2cccs2)CC1 ZINC000751038628 652321378 /nfs/dbraw/zinc/32/13/78/652321378.db2.gz UKEXIUVNAPEKMR-UHFFFAOYSA-N 1 0 382.599 2.339 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc(C(F)(F)F)nn1C)CC(C)C ZINC000625062392 652322360 /nfs/dbraw/zinc/32/23/60/652322360.db2.gz KTSHFCJBUHJOBJ-LBPRGKRZSA-N 1 0 384.468 2.474 20 0 GEADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)nn1C)CC(C)C ZINC000625062390 652322541 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C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000659113468 652345026 /nfs/dbraw/zinc/34/50/26/652345026.db2.gz VGRVTFJCGVPGKS-SSDOTTSWSA-N 1 0 382.180 2.131 20 0 GEADRO O=C(CC[NH+]1CCN(Cc2cn[nH]c2)CC1)Nc1ccccc1Br ZINC000625474309 652347964 /nfs/dbraw/zinc/34/79/64/652347964.db2.gz LIWBEPBKECPHRR-UHFFFAOYSA-N 1 0 392.301 2.319 20 0 GEADRO CC(C)(C)N1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1=O ZINC000579703612 652350900 /nfs/dbraw/zinc/35/09/00/652350900.db2.gz PBGQACKRXYJRNF-UONOGXRCSA-N 1 0 385.302 2.178 20 0 GEADRO COC[C@]1(CNC(=O)C(C)(C)Oc2ccc(Br)cc2)CCC[NH2+]1 ZINC000659306682 652353411 /nfs/dbraw/zinc/35/34/11/652353411.db2.gz HKTQNWIJGMJWHR-QGZVFWFLSA-N 1 0 385.302 2.491 20 0 GEADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc(I)c[nH]3)cc2C1 ZINC000579835783 652356827 /nfs/dbraw/zinc/35/68/27/652356827.db2.gz OWAJGEVXIABPRK-JTQLQIEISA-N 1 0 382.205 2.083 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000659448544 652358105 /nfs/dbraw/zinc/35/81/05/652358105.db2.gz TURFLFGAWZIYHB-CYBMUJFWSA-N 1 0 384.318 2.404 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000659468641 652358872 /nfs/dbraw/zinc/35/88/72/652358872.db2.gz CQQUTPOXWOPMAC-MWLCHTKSSA-N 1 0 379.814 2.240 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000659480557 652359100 /nfs/dbraw/zinc/35/91/00/652359100.db2.gz AAKJYUBQYJPOME-DOMZBBRYSA-N 1 0 397.317 2.160 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659508227 652359960 /nfs/dbraw/zinc/35/99/60/652359960.db2.gz OXBCTBSNHQLSTA-OAHLLOKOSA-N 1 0 381.318 2.423 20 0 GEADRO Brc1nc(Br)n(CN2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000751589936 652360449 /nfs/dbraw/zinc/36/04/49/652360449.db2.gz OUPBIQSKSYDARG-JTQLQIEISA-N 1 0 393.127 2.321 20 0 GEADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000579952884 652361135 /nfs/dbraw/zinc/36/11/35/652361135.db2.gz SYSXEMHKWBZGMQ-DVOMOZLQSA-N 1 0 380.312 2.481 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000659617682 652361367 /nfs/dbraw/zinc/36/13/67/652361367.db2.gz ZJDLBSNSDHMCNV-VXKCQOAXSA-N 1 0 380.286 2.284 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000659622782 652361698 /nfs/dbraw/zinc/36/16/98/652361698.db2.gz VMZPQNKJCLSJQN-HUUCEWRRSA-N 1 0 397.317 2.005 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)n1 ZINC000659632246 652362062 /nfs/dbraw/zinc/36/20/62/652362062.db2.gz SKQUUXNEQAFUCS-UHFFFAOYSA-N 1 0 382.251 2.216 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCCC1)c1ccccc1Br ZINC000659690289 652363420 /nfs/dbraw/zinc/36/34/20/652363420.db2.gz NLDZEWYXHQYRRT-UHFFFAOYSA-N 1 0 396.329 2.231 20 0 GEADRO CCc1[nH]nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c1Br ZINC000580023697 652363905 /nfs/dbraw/zinc/36/39/05/652363905.db2.gz RPVUGIBQZCCUHU-UHFFFAOYSA-N 1 0 393.289 2.134 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000659712477 652364073 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C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627412611 652427023 /nfs/dbraw/zinc/42/70/23/652427023.db2.gz PPVODGHROHEHEQ-XFJVYGCCSA-N 1 0 394.313 2.007 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627411172 652427042 /nfs/dbraw/zinc/42/70/42/652427042.db2.gz YPAYFJFBEIITIM-JGGQBBKZSA-N 1 0 396.329 2.253 20 0 GEADRO CCSc1ccc(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000627426135 652427755 /nfs/dbraw/zinc/42/77/55/652427755.db2.gz LCIKOLVMFZLRCM-GJZGRUSLSA-N 1 0 387.343 2.237 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000627460471 652429146 /nfs/dbraw/zinc/42/91/46/652429146.db2.gz LGXKLSJZBTYGMN-ARFHVFGLSA-N 1 0 381.929 2.213 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627477916 652429541 /nfs/dbraw/zinc/42/95/41/652429541.db2.gz DSHSPJIGBOPIRN-HIFRSBDPSA-N 1 0 396.329 2.444 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000581991201 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C[C@@H]1C[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@@H](C)C1O ZINC000661621009 652435813 /nfs/dbraw/zinc/43/58/13/652435813.db2.gz CFQQRGSSBHPFDS-JTNHKYCSSA-N 1 0 376.266 2.277 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000754457015 652436456 /nfs/dbraw/zinc/43/64/56/652436456.db2.gz CDMBOCMTKSIFOD-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCCc3cc(Cl)sc3Cl)CCN2C1=O ZINC000582133451 652436584 /nfs/dbraw/zinc/43/65/84/652436584.db2.gz XECPCTKYJIRTES-GHMZBOCLSA-N 1 0 376.309 2.148 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000754462775 652436830 /nfs/dbraw/zinc/43/68/30/652436830.db2.gz NLEIUSJBMCIDNR-UHFFFAOYSA-N 1 0 384.322 2.302 20 0 GEADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627644966 652437073 /nfs/dbraw/zinc/43/70/73/652437073.db2.gz LIZQKNFLABPQFS-UOIKSKOESA-N 1 0 395.297 2.439 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000582181307 652439021 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COc1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)ccc1Br ZINC000627965883 652445757 /nfs/dbraw/zinc/44/57/57/652445757.db2.gz HDOJHWWCZUKQDC-UHFFFAOYSA-N 1 0 383.286 2.395 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000582336844 652445998 /nfs/dbraw/zinc/44/59/98/652445998.db2.gz BOXLSGYUMJDMMX-LBPRGKRZSA-N 1 0 376.320 2.109 20 0 GEADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582359886 652447189 /nfs/dbraw/zinc/44/71/89/652447189.db2.gz OPGJXSBCRHQPFF-JGVFFNPUSA-N 1 0 385.736 2.394 20 0 GEADRO CC(C)CC1([NH2+]CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000662069179 652447228 /nfs/dbraw/zinc/44/72/28/652447228.db2.gz DAJBBUBJCZUEFE-OAHLLOKOSA-N 1 0 384.567 2.432 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000628062493 652448250 /nfs/dbraw/zinc/44/82/50/652448250.db2.gz HYFZUWFJQIGMGR-CGTJXYLNSA-N 1 0 394.357 2.335 20 0 GEADRO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@]1(C)CO ZINC000662150707 652449036 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C[C@@]1(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCCS1 ZINC000628213240 652455238 /nfs/dbraw/zinc/45/52/38/652455238.db2.gz DASUUNVHAJXRSU-HNNXBMFYSA-N 1 0 376.569 2.144 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN([C@H](C(N)=O)c2cccc(Br)c2)CCO1 ZINC000662325356 652455734 /nfs/dbraw/zinc/45/57/34/652455734.db2.gz MERNAHPBIDWUFU-CVEARBPZSA-N 1 0 384.318 2.018 20 0 GEADRO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662332944 652456385 /nfs/dbraw/zinc/45/63/85/652456385.db2.gz ZACPNQVWGIPMNX-BXUZGUMPSA-N 1 0 381.826 2.387 20 0 GEADRO C[C@@H](NC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)c1ccc(Br)cc1 ZINC000662332195 652456424 /nfs/dbraw/zinc/45/64/24/652456424.db2.gz VLQPLBTXJIPTSF-SKDRFNHKSA-N 1 0 382.224 2.448 20 0 GEADRO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662332947 652456429 /nfs/dbraw/zinc/45/64/29/652456429.db2.gz ZACPNQVWGIPMNX-SMDDNHRTSA-N 1 0 381.826 2.387 20 0 GEADRO O=C(NC[C@H](n1cccn1)C(F)(F)F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000628330324 652457663 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CC(C)CN(CC(F)(F)F)C(=O)CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563066 652493485 /nfs/dbraw/zinc/49/34/85/652493485.db2.gz PRRCZFBTWHKPPF-RYUDHWBXSA-N 1 0 377.373 2.492 20 0 GEADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[C@@H]1C(F)(F)F ZINC000629564827 652493549 /nfs/dbraw/zinc/49/35/49/652493549.db2.gz UMZLKCCEPMKWQU-ONGXEEELSA-N 1 0 395.223 2.242 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563038 652493615 /nfs/dbraw/zinc/49/36/15/652493615.db2.gz POHBWBHSGWSLKM-KGYLQXTDSA-N 1 0 394.235 2.435 20 0 GEADRO C[NH2+]CCOCCN(C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000629572142 652493771 /nfs/dbraw/zinc/49/37/71/652493771.db2.gz WZDFWMJELWXOBU-UHFFFAOYSA-N 1 0 375.292 2.228 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c1 ZINC000629583918 652494290 /nfs/dbraw/zinc/49/42/90/652494290.db2.gz LJKYRKJVMVZTOP-ZFWWWQNUSA-N 1 0 379.448 2.039 20 0 GEADRO COCC1(CNC(=O)[C@@H]2COc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000583688070 652494465 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C[C@H]1CN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC[C@H]1[NH3+] ZINC000667344659 652601878 /nfs/dbraw/zinc/60/18/78/652601878.db2.gz OYUNFUJAEITNKS-WDEREUQCSA-N 1 0 375.416 2.475 20 0 GEADRO Cc1nc(-c2ccc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)s2)cs1 ZINC000633641727 652605055 /nfs/dbraw/zinc/60/50/55/652605055.db2.gz TYAACIOBTZSTLJ-UHFFFAOYSA-N 1 0 380.539 2.272 20 0 GEADRO Cc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c(N)n1 ZINC000667428017 652605250 /nfs/dbraw/zinc/60/52/50/652605250.db2.gz WFTVUJFNJADJCQ-UHFFFAOYSA-N 1 0 392.301 2.334 20 0 GEADRO Cn1cc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nn1 ZINC000667427774 652605305 /nfs/dbraw/zinc/60/53/05/652605305.db2.gz QEQPBOJCUJRUQI-UHFFFAOYSA-N 1 0 394.317 2.101 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)[C@H](C)C[NH2+]1 ZINC000667458438 652606187 /nfs/dbraw/zinc/60/61/87/652606187.db2.gz IUEIHJZFZQPOKR-HTQZYQBOSA-N 1 0 392.656 2.389 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)NCc2cc(F)c(Br)cc2F)cn1 ZINC000633683341 652606673 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2.432 20 0 GEADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2nccn2Cc2ccc(Br)cc2)C1 ZINC000638040285 652882093 /nfs/dbraw/zinc/88/20/93/652882093.db2.gz AOMXKLHPCVILHX-WMLDXEAASA-N 1 0 393.285 2.399 20 0 GEADRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599664305 652882437 /nfs/dbraw/zinc/88/24/37/652882437.db2.gz APZACRYXFDQIGP-AWEZNQCLSA-N 1 0 377.268 2.028 20 0 GEADRO CS[C@@H]1CN(C(=O)C2(C(=O)OC(C)(C)C)CCSCC2)C[C@H]1[NH+](C)C ZINC000599715510 652884883 /nfs/dbraw/zinc/88/48/83/652884883.db2.gz RBZLNCPNDQAVPJ-ZIAGYGMSSA-N 1 0 388.599 2.346 20 0 GEADRO CS[C@H]1CN(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)C[C@H]1[NH+](C)C ZINC000599720731 652885265 /nfs/dbraw/zinc/88/52/65/652885265.db2.gz IGRWJSKDKJICCK-NEPJUHHUSA-N 1 0 376.448 2.356 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638302917 652885708 /nfs/dbraw/zinc/88/57/08/652885708.db2.gz LMLSVERXRBVYCB-RHSMWYFYSA-N 1 0 385.302 2.274 20 0 GEADRO CCO[C@@H]1CN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C[C@H]1C[NH3+] 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380.290 2.298 20 0 GEADRO COc1ccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1OC(F)F ZINC000638479264 652890744 /nfs/dbraw/zinc/89/07/44/652890744.db2.gz GNTNQJAROROCRO-UHFFFAOYSA-N 1 0 392.449 2.338 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1 ZINC000638501992 652891363 /nfs/dbraw/zinc/89/13/63/652891363.db2.gz ZDXLAEWHYFGMLY-CVEARBPZSA-N 1 0 394.313 2.417 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505529 652891848 /nfs/dbraw/zinc/89/18/48/652891848.db2.gz WMWARAJTWFHSEU-CQSZACIVSA-N 1 0 395.301 2.362 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC1([NH3+])CCOCC1 ZINC000638539708 652893217 /nfs/dbraw/zinc/89/32/17/652893217.db2.gz HMTNXEMRLSQTPQ-UHFFFAOYSA-N 1 0 393.285 2.181 20 0 GEADRO [NH3+]C1(CNC(=O)COc2ccc(Br)cc2Cl)CCOCC1 ZINC000638538293 652893248 /nfs/dbraw/zinc/89/32/48/652893248.db2.gz MSSASVQIZQUVMY-UHFFFAOYSA-N 1 0 377.666 2.105 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000638548259 652893787 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CO[C@H](C[NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCOC1 ZINC000638596753 652897640 /nfs/dbraw/zinc/89/76/40/652897640.db2.gz PFLBKVLFHBLSAJ-NVXWUHKLSA-N 1 0 399.329 2.439 20 0 GEADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000638596482 652897667 /nfs/dbraw/zinc/89/76/67/652897667.db2.gz PQOADMVSKIONCV-DOMZBBRYSA-N 1 0 380.286 2.060 20 0 GEADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000638597652 652898085 /nfs/dbraw/zinc/89/80/85/652898085.db2.gz IORHGPBTXCRUBJ-IUODEOHRSA-N 1 0 382.302 2.216 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000638601287 652898787 /nfs/dbraw/zinc/89/87/87/652898787.db2.gz DAKRDRBYEUVRDH-INIZCTEOSA-N 1 0 396.329 2.162 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)c1cccnc1Oc1ccc(Br)cc1 ZINC000638618501 652899119 /nfs/dbraw/zinc/89/91/19/652899119.db2.gz NDPPBIKDHKZURG-CYBMUJFWSA-N 1 0 392.253 2.355 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2sccc2S(=O)(=O)N(C)C)CC1 ZINC000600055665 652900771 /nfs/dbraw/zinc/90/07/71/652900771.db2.gz YKSXBFKTDHKYEZ-UHFFFAOYSA-N 1 0 387.571 2.191 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1 ZINC000674495251 652901211 /nfs/dbraw/zinc/90/12/11/652901211.db2.gz DJTPDUJOJLLWKL-TXEJJXNPSA-N 1 0 375.357 2.260 20 0 GEADRO Cc1nn(-c2ccc(C(=O)NCCOCCC[NH3+])cc2)c(C)c1Br ZINC000638656855 652901445 /nfs/dbraw/zinc/90/14/45/652901445.db2.gz FWLFMFYGUWTNFN-UHFFFAOYSA-N 1 0 395.301 2.347 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000638654330 652901513 /nfs/dbraw/zinc/90/15/13/652901513.db2.gz DOHSSIPJNXHDQW-XFBWCDHKSA-N 1 0 382.302 2.273 20 0 GEADRO CN(CCOCC[NH3+])C(=O)c1cc(Br)sc1Br ZINC000638676107 652902104 /nfs/dbraw/zinc/90/21/04/652902104.db2.gz GHKQMIOWYWYABF-UHFFFAOYSA-N 1 0 386.109 2.320 20 0 GEADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000638689471 652902663 /nfs/dbraw/zinc/90/26/63/652902663.db2.gz MKTRHYGNXGXMSW-OAHLLOKOSA-N 1 0 378.274 2.285 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638697681 652903252 /nfs/dbraw/zinc/90/32/52/652903252.db2.gz DQRKFQOMTMNXDX-INWMFGNUSA-N 1 0 394.313 2.022 20 0 GEADRO COc1nsc(C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1Br ZINC000638709413 652904043 /nfs/dbraw/zinc/90/40/43/652904043.db2.gz RCNBGCURZWWQMA-JTQLQIEISA-N 1 0 386.319 2.406 20 0 GEADRO O=C(COc1ccccc1Br)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638793311 652906853 /nfs/dbraw/zinc/90/68/53/652906853.db2.gz ZOABMUOCMMXBLH-HNNXBMFYSA-N 1 0 397.313 2.445 20 0 GEADRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842061 652908807 /nfs/dbraw/zinc/90/88/07/652908807.db2.gz KULUYPVVDFLSOD-VIKVFOODSA-N 1 0 377.282 2.309 20 0 GEADRO COc1ccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)c(Br)c1 ZINC000638853681 652909393 /nfs/dbraw/zinc/90/93/93/652909393.db2.gz OUVOHWXXQKEGGA-UHFFFAOYSA-N 1 0 380.246 2.226 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638884714 652909979 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CSCCc1ccccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000602032153 653139835 /nfs/dbraw/zinc/13/98/35/653139835.db2.gz WAHRZVPDKRULMN-GOSISDBHSA-N 1 0 381.567 2.084 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000640875829 653142905 /nfs/dbraw/zinc/14/29/05/653142905.db2.gz ZVXCRQSETQJYQQ-WNOSKKOXSA-N 1 0 397.313 2.320 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000679314264 653143343 /nfs/dbraw/zinc/14/33/43/653143343.db2.gz BMKCLQNERHLKDU-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO CC(C)CNC(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640886473 653144174 /nfs/dbraw/zinc/14/41/74/653144174.db2.gz PQQWAFCAPLJPOA-ABAIWWIYSA-N 1 0 380.290 2.422 20 0 GEADRO COc1ccc(Cn2cc([C@@H]([NH3+])[C@@H]3CCCO3)nn2)c(Br)c1OC ZINC000640988707 653149135 /nfs/dbraw/zinc/14/91/35/653149135.db2.gz CXTNFXPKMLMSQW-SWLSCSKDSA-N 1 0 397.273 2.285 20 0 GEADRO O=C(NCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)c1ccn[nH]1 ZINC000679575801 653149459 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O=C1[C@@H](n2cc(C[C@@H]3CC[NH2+]C3)nn2)CCN1c1cccc(Br)c1 ZINC000641106055 653157284 /nfs/dbraw/zinc/15/72/84/653157284.db2.gz ZQRZQIHQUNSSOZ-LRDDRELGSA-N 1 0 390.285 2.171 20 0 GEADRO O=C(NCCn1cc(Br)cn1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000806312690 653159233 /nfs/dbraw/zinc/15/92/33/653159233.db2.gz VOCWGLKSLWUJLG-UHFFFAOYSA-N 1 0 376.218 2.048 20 0 GEADRO C[NH+](C)CCc1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120513 653159334 /nfs/dbraw/zinc/15/93/34/653159334.db2.gz GOLQFDAHEKGLST-UHFFFAOYSA-N 1 0 381.274 2.354 20 0 GEADRO Ic1ccccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000769492216 653159881 /nfs/dbraw/zinc/15/98/81/653159881.db2.gz HETMLBQEJONEHO-AWEZNQCLSA-N 1 0 386.277 2.445 20 0 GEADRO Ic1ccccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000769525059 653160854 /nfs/dbraw/zinc/16/08/54/653160854.db2.gz OTKVBSAUAWSFNP-AWEZNQCLSA-N 1 0 386.277 2.445 20 0 GEADRO Ic1ccccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000769525061 653160872 /nfs/dbraw/zinc/16/08/72/653160872.db2.gz OTKVBSAUAWSFNP-CQSZACIVSA-N 1 0 386.277 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COc1ccc(CCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1Br ZINC000682009734 653203218 /nfs/dbraw/zinc/20/32/18/653203218.db2.gz XOONYQKKERUQFG-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO CCOC(=O)[C@@]1(C[NH2+]Cc2c(F)cncc2Br)CCCOC1 ZINC000602743326 653204183 /nfs/dbraw/zinc/20/41/83/653204183.db2.gz FCDBDYRJIGBPLY-OAHLLOKOSA-N 1 0 375.238 2.433 20 0 GEADRO COc1cc(CS(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000641426337 653204345 /nfs/dbraw/zinc/20/43/45/653204345.db2.gz PMNWIYKVJPCUCR-XJKSGUPXSA-N 1 0 381.523 2.092 20 0 GEADRO Cn1ncc(C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)c1Br ZINC000773532846 653204398 /nfs/dbraw/zinc/20/43/98/653204398.db2.gz CMVZLMAJHHMDTE-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682035031 653205171 /nfs/dbraw/zinc/20/51/71/653205171.db2.gz DPXLLHDSFIMJLH-CYBMUJFWSA-N 1 0 384.318 2.165 20 0 GEADRO CC1(C)CN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@@H+]1CCO ZINC000682036278 653205294 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COc1cc(Br)c2nc(N3CC[C@@H](C[NH+](C)C)C3)nc(N)c2c1 ZINC000641485991 653212454 /nfs/dbraw/zinc/21/24/54/653212454.db2.gz VDNCVEHXAOYVPV-JTQLQIEISA-N 1 0 380.290 2.371 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000602892740 653213354 /nfs/dbraw/zinc/21/33/54/653213354.db2.gz SIVUTBAZZGNIJU-MWTRTKDXSA-N 1 0 379.353 2.490 20 0 GEADRO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000602932265 653215788 /nfs/dbraw/zinc/21/57/88/653215788.db2.gz QNCQNRZSVMWMAL-GTNSWQLSSA-N 1 0 394.269 2.088 20 0 GEADRO COC(=O)C[C@@]1([NH2+]Cc2cnc3ccc(Br)cn23)CCCOC1 ZINC000770679581 653220161 /nfs/dbraw/zinc/22/01/61/653220161.db2.gz RJDIMKYREVTTCO-INIZCTEOSA-N 1 0 382.258 2.299 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000682669762 653220979 /nfs/dbraw/zinc/22/09/79/653220979.db2.gz ASIRHEGYCIZNNL-CHWSQXEVSA-N 1 0 389.315 2.145 20 0 GEADRO C[N@@H+]1CCN(CCNc2ncnc(C(F)(F)F)c2Br)CC1(C)C ZINC000641555157 653221168 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Cc1ccc(Br)cc1[C@H](C)[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000858376544 653361526 /nfs/dbraw/zinc/36/15/26/653361526.db2.gz MSKFVSSWWHRAHX-ZDUSSCGKSA-N 1 0 391.331 2.070 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000858501044 653366249 /nfs/dbraw/zinc/36/62/49/653366249.db2.gz WAAROYIVHJDGFL-LBPRGKRZSA-N 1 0 393.285 2.371 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(Br)ncc1F ZINC000858498650 653366331 /nfs/dbraw/zinc/36/63/31/653366331.db2.gz SXIIDSGNIBLTQP-OASPWFOLSA-N 1 0 394.310 2.494 20 0 GEADRO C[C@H](C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000858498893 653366369 /nfs/dbraw/zinc/36/63/69/653366369.db2.gz XHDXCUYIPLLJDJ-KBUPBQIOSA-N 1 0 377.551 2.128 20 0 GEADRO O=Cc1cnc2c(Br)cc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn12 ZINC000858561350 653367612 /nfs/dbraw/zinc/36/76/12/653367612.db2.gz PUYRMDILRFJDKY-CHWSQXEVSA-N 1 0 391.269 2.266 20 0 GEADRO O=Cc1cnc2c(Br)cc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn12 ZINC000858561351 653367686 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[NH3+]C[C@H]1CN(S(=O)(=O)c2cccc3scnc32)CC[C@H]1C(F)(F)F ZINC000858624027 653371880 /nfs/dbraw/zinc/37/18/80/653371880.db2.gz AMIFPEROCIFYFF-VHSXEESVSA-N 1 0 379.429 2.444 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3scnc32)CC[C@@H]1C(F)(F)F ZINC000858624028 653372043 /nfs/dbraw/zinc/37/20/43/653372043.db2.gz AMIFPEROCIFYFF-ZJUUUORDSA-N 1 0 379.429 2.444 20 0 GEADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000858882750 653382371 /nfs/dbraw/zinc/38/23/71/653382371.db2.gz GCQIMIUWPLPEHQ-UHFFFAOYSA-N 1 0 380.283 2.136 20 0 GEADRO COC(=O)NCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000875651308 653382440 /nfs/dbraw/zinc/38/24/40/653382440.db2.gz LKWINQHHKRJAQN-CYBMUJFWSA-N 1 0 377.272 2.251 20 0 GEADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000858891032 653383202 /nfs/dbraw/zinc/38/32/02/653383202.db2.gz UQINXHMOVXZEFZ-UHFFFAOYSA-N 1 0 394.310 2.477 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858899877 653383815 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390.311 2.389 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859041208 653396208 /nfs/dbraw/zinc/39/62/08/653396208.db2.gz ILDCJDKQUZKHRR-NSHDSACASA-N 1 0 394.310 2.336 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1Cl ZINC000859065675 653399686 /nfs/dbraw/zinc/39/96/86/653399686.db2.gz GTPVUYFJWDAKKI-LLVKDONJSA-N 1 0 375.878 2.233 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)nc3F)CC[C@@H]21 ZINC000859069560 653400018 /nfs/dbraw/zinc/40/00/18/653400018.db2.gz RGCTZYJKYBZEAS-QWRGUYRKSA-N 1 0 392.294 2.088 20 0 GEADRO O=C(NCCSCCC(F)(F)F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000876175347 653405679 /nfs/dbraw/zinc/40/56/79/653405679.db2.gz CAAJADHVHAFIBC-UHFFFAOYSA-N 1 0 383.480 2.426 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NCCN2CC=C(C)CC2)cc1Cl ZINC000859109785 653406460 /nfs/dbraw/zinc/40/64/60/653406460.db2.gz ULUJLWSSAPRXLH-UHFFFAOYSA-N 1 0 387.889 2.449 20 0 GEADRO C[C@H]1CN(CCO)CCN1C(=O)C(F)(F)c1ccccc1Br ZINC000837185947 653408547 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COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cccc(Br)c1F ZINC000876474730 653431063 /nfs/dbraw/zinc/43/10/63/653431063.db2.gz GOKCSIQWVGRAIV-INIZCTEOSA-N 1 0 389.265 2.007 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837387756 653433265 /nfs/dbraw/zinc/43/32/65/653433265.db2.gz MVZPHYRNSGJEFL-UHFFFAOYSA-N 1 0 399.333 2.213 20 0 GEADRO CSC1(CNC(=O)N(CCO)Cc2cccnc2Cl)CC[NH+](C)CC1 ZINC000812549646 653435133 /nfs/dbraw/zinc/43/51/33/653435133.db2.gz SVNCPSXGMBIBCU-UHFFFAOYSA-N 1 0 386.949 2.066 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876558716 653435554 /nfs/dbraw/zinc/43/55/54/653435554.db2.gz VQUAFKRRLXXHAB-PBHICJAKSA-N 1 0 380.286 2.344 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876557283 653435651 /nfs/dbraw/zinc/43/56/51/653435651.db2.gz HFACCQSADBZEJL-WXJAXGNASA-N 1 0 380.286 2.368 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1(F)F ZINC000876563502 653436064 /nfs/dbraw/zinc/43/60/64/653436064.db2.gz 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COC1([C@@H](C)[NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CCC1 ZINC000839659670 653659509 /nfs/dbraw/zinc/65/95/09/653659509.db2.gz GIKQWJCQBMLXSI-LLVKDONJSA-N 1 0 376.425 2.169 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)c2ccc(Br)s2)CCSC1 ZINC000839699015 653660665 /nfs/dbraw/zinc/66/06/65/653660665.db2.gz UQTZCZITQVMYCH-CYBMUJFWSA-N 1 0 377.329 2.247 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cnc(Cl)c1Br ZINC000861525327 653660626 /nfs/dbraw/zinc/66/06/26/653660626.db2.gz TUIJIOFSJUDLKE-CBAPKCEASA-N 1 0 389.681 2.001 20 0 GEADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000861543123 653661044 /nfs/dbraw/zinc/66/10/44/653661044.db2.gz XNCOBFSCMDJTIA-ZETCQYMHSA-N 1 0 398.179 2.092 20 0 GEADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c(C)c2)s1 ZINC000861539213 653661081 /nfs/dbraw/zinc/66/10/81/653661081.db2.gz BZEVGEANCIKKDA-SNVBAGLBSA-N 1 0 379.511 2.050 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000861539250 653661130 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COC(=O)c1sc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c(C)c1Cl ZINC000817862284 653721370 /nfs/dbraw/zinc/72/13/70/653721370.db2.gz QQWVWIRSCZXEIK-UHFFFAOYSA-N 1 0 378.903 2.013 20 0 GEADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@H]1C[NH3+] ZINC000817863544 653721440 /nfs/dbraw/zinc/72/14/40/653721440.db2.gz DSBSXNXUHZFLRI-YRGRVCCFSA-N 1 0 387.933 2.036 20 0 GEADRO CC(C)(C(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000863834396 653721554 /nfs/dbraw/zinc/72/15/54/653721554.db2.gz JBSKHRZGQLHHDB-LSDHHAIUSA-N 1 0 375.296 2.236 20 0 GEADRO C[C@@H]([NH3+])c1cn([C@@H](C)C(=O)Nc2cccc(I)c2)nn1 ZINC000881151852 653721600 /nfs/dbraw/zinc/72/16/00/653721600.db2.gz DNXZJZSHTSLKGE-BDAKNGLRSA-N 1 0 385.209 2.102 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)NC(C)(C)CC[NH3+] ZINC000817867738 653721775 /nfs/dbraw/zinc/72/17/75/653721775.db2.gz IJRUDQNYEQUDEE-UHFFFAOYSA-N 1 0 383.392 2.238 20 0 GEADRO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ncc1F ZINC000817972107 653723067 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CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881273389 653725807 /nfs/dbraw/zinc/72/58/07/653725807.db2.gz INKMUYDSFQSMSP-NSHDSACASA-N 1 0 397.273 2.338 20 0 GEADRO COC(=O)c1ccc(Br)cc1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000881338845 653727565 /nfs/dbraw/zinc/72/75/65/653727565.db2.gz BTDPVFQSYXZOQJ-NSHDSACASA-N 1 0 379.258 2.343 20 0 GEADRO COC(OC)c1ccc(F)c(C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000818198667 653727749 /nfs/dbraw/zinc/72/77/49/653727749.db2.gz XXRUCAAZMBYJKG-UHFFFAOYSA-N 1 0 388.486 2.247 20 0 GEADRO Cc1cccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1Br ZINC000786747214 653727799 /nfs/dbraw/zinc/72/77/99/653727799.db2.gz ANHVUFBMPGFGCU-LSDHHAIUSA-N 1 0 382.302 2.420 20 0 GEADRO C[C@](O)(Cn1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1)c1ccc(Br)cc1F ZINC000881425301 653730917 /nfs/dbraw/zinc/73/09/17/653730917.db2.gz VTKMNBGIVOHPNA-JYJNAYRXSA-N 1 0 399.264 2.266 20 0 GEADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818519013 653732271 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2.395 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1Br ZINC000818594986 653734371 /nfs/dbraw/zinc/73/43/71/653734371.db2.gz RTCRVJQAXQLMPR-LBPRGKRZSA-N 1 0 389.315 2.115 20 0 GEADRO Cc1ccc(CNC(=S)NC2CC[NH+](C)CC2)c(-n2cc(Cl)cn2)n1 ZINC000787188053 653735336 /nfs/dbraw/zinc/73/53/36/653735336.db2.gz OEQUOERZYWGSNF-UHFFFAOYSA-N 1 0 378.933 2.287 20 0 GEADRO C[NH+](C)[C@@H](CNc1ccc2nnc(Br)n2n1)Cc1ccccc1 ZINC000881756326 653737538 /nfs/dbraw/zinc/73/75/38/653737538.db2.gz LLCJPNKLHYJUDT-CYBMUJFWSA-N 1 0 375.274 2.472 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000818946906 653739001 /nfs/dbraw/zinc/73/90/01/653739001.db2.gz YKUHQXCJRMIMIL-OAHLLOKOSA-N 1 0 380.432 2.143 20 0 GEADRO O=C(CC[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)Nc1cccc(Br)c1 ZINC000818986586 653739908 /nfs/dbraw/zinc/73/99/08/653739908.db2.gz QDJIJTUBQLWJIR-HZPDHXFCSA-N 1 0 382.302 2.231 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1)Cc1ccccc1 ZINC000818976662 653739945 /nfs/dbraw/zinc/73/99/45/653739945.db2.gz LTVXGEYOBRMAPH-KRWDZBQOSA-N 1 0 383.897 2.284 20 0 GEADRO C[C@@](O)(C[NH2+]CCCN1CCOC1=O)c1ccc(Br)cc1F ZINC000819011918 653740715 /nfs/dbraw/zinc/74/07/15/653740715.db2.gz AWWWYWTXDMFTHL-OAHLLOKOSA-N 1 0 375.238 2.228 20 0 GEADRO COCCN1CCC[C@@H]1C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819018580 653740851 /nfs/dbraw/zinc/74/08/51/653740851.db2.gz UKJLWAJYMMTSDX-PBHICJAKSA-N 1 0 389.309 2.496 20 0 GEADRO C[C@H]([C@H](C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)N1CCOCC1 ZINC000819021101 653740892 /nfs/dbraw/zinc/74/08/92/653740892.db2.gz PRQIACWQXCDHNB-AHIWAGSCSA-N 1 0 389.309 2.495 20 0 GEADRO C[C@@H]1COCCN1CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819016749 653740896 /nfs/dbraw/zinc/74/08/96/653740896.db2.gz ANACRZVKHJRWRR-MLGOLLRUSA-N 1 0 375.282 2.106 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)[C@H](C)N1CCOCC1 ZINC000819020796 653740915 /nfs/dbraw/zinc/74/09/15/653740915.db2.gz MEYZYFKMNKEMJI-MQIPJXDCSA-N 1 0 375.282 2.320 20 0 GEADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881812310 653741005 /nfs/dbraw/zinc/74/10/05/653741005.db2.gz DZNBSXAQSZKTOF-XMMPIXPASA-N 1 0 396.623 2.217 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@H]1CCCNC1=O)c1ccc(Br)cc1Cl ZINC000819040448 653741309 /nfs/dbraw/zinc/74/13/09/653741309.db2.gz YRICCYGTOQFIFF-MEBBXXQBSA-N 1 0 375.694 2.426 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)NCC1CCC1 ZINC000819049091 653741426 /nfs/dbraw/zinc/74/14/26/653741426.db2.gz SUGMYJJRGGXTFK-HNNXBMFYSA-N 1 0 380.432 2.048 20 0 GEADRO CCNS(=O)(=O)CC[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000819043670 653741482 /nfs/dbraw/zinc/74/14/82/653741482.db2.gz TYDDSUGDQOWJBI-AWEZNQCLSA-N 1 0 392.949 2.040 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCN1CC(F)(F)F ZINC000819054849 653741659 /nfs/dbraw/zinc/74/16/59/653741659.db2.gz NIRDJDKKMKLQHV-RYUDHWBXSA-N 1 0 399.182 2.374 20 0 GEADRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000819055185 653741727 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C[C@@]1(CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(Cl)Cl ZINC000841911660 653742612 /nfs/dbraw/zinc/74/26/12/653742612.db2.gz CNEIFOGNSIQSGZ-CMPLNLGQSA-N 1 0 391.265 2.096 20 0 GEADRO [NH3+]CCc1ccc(CNC(=O)NC[C@H](O)c2ccccc2Br)cc1 ZINC000841930364 653742817 /nfs/dbraw/zinc/74/28/17/653742817.db2.gz IAYLJFKUTMMCPX-KRWDZBQOSA-N 1 0 392.297 2.483 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(Br)c1 ZINC000841975665 653742996 /nfs/dbraw/zinc/74/29/96/653742996.db2.gz IVGNFFJLZYXJIY-IINYFYTJSA-N 1 0 384.274 2.033 20 0 GEADRO COC[C@@]1(CNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CCC[NH2+]1 ZINC000841996978 653743311 /nfs/dbraw/zinc/74/33/11/653743311.db2.gz METCQNCJNZEREQ-HOCLYGCPSA-N 1 0 376.284 2.095 20 0 GEADRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@H](O)c3cccc(Br)c3)C2)cn1 ZINC000819106040 653743374 /nfs/dbraw/zinc/74/33/74/653743374.db2.gz SCROVYWSODVFSH-WBVHZDCISA-N 1 0 379.302 2.475 20 0 GEADRO C[NH+]1CCN(C[C@H](NS(=O)(=O)CC=C(Cl)Cl)c2ccccc2)CC1 ZINC000881859527 653744000 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CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000842709132 653764039 /nfs/dbraw/zinc/76/40/39/653764039.db2.gz JTJRCYSKLCBBCM-NSHDSACASA-N 1 0 395.294 2.359 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000842709130 653764130 /nfs/dbraw/zinc/76/41/30/653764130.db2.gz JTJRCYSKLCBBCM-LLVKDONJSA-N 1 0 395.294 2.359 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2nccc(C)c2Br)CC1 ZINC000865411270 653764666 /nfs/dbraw/zinc/76/46/66/653764666.db2.gz VNRYKEWGUUCZGL-UHFFFAOYSA-N 1 0 376.320 2.056 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000788821374 653764984 /nfs/dbraw/zinc/76/49/84/653764984.db2.gz DZZOOHZWVKJFJB-ZNMIVQPWSA-N 1 0 376.316 2.428 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)c(Cl)cc1Cl ZINC000842729085 653765033 /nfs/dbraw/zinc/76/50/33/653765033.db2.gz JTNCNGAPTNFWFI-UHFFFAOYSA-N 1 0 381.281 2.153 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865438902 653765354 /nfs/dbraw/zinc/76/53/54/653765354.db2.gz 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CC[C@H]1CN(S(=O)(=O)c2cc(Br)cc(F)c2OC)CC[C@H]1[NH3+] ZINC000842797375 653768058 /nfs/dbraw/zinc/76/80/58/653768058.db2.gz HNPDBJGYJMSLTD-JOYOIKCWSA-N 1 0 395.294 2.345 20 0 GEADRO NS(=O)(=O)c1cc(Br)ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000865550721 653768257 /nfs/dbraw/zinc/76/82/57/653768257.db2.gz HKYUDOCQIGGSHS-LBPRGKRZSA-N 1 0 388.331 2.019 20 0 GEADRO C[C@H](Nc1ccc(Br)cc1S(N)(=O)=O)C(C)(C)C[NH+](C)C ZINC000865557753 653768411 /nfs/dbraw/zinc/76/84/11/653768411.db2.gz HKSINHCQVYIHKR-JTQLQIEISA-N 1 0 378.336 2.485 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865567307 653768823 /nfs/dbraw/zinc/76/88/23/653768823.db2.gz HZUQEDCZAQPGMR-GFCCVEGCSA-N 1 0 390.347 2.265 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865588176 653769187 /nfs/dbraw/zinc/76/91/87/653769187.db2.gz XMKLURRSOHZCCC-NWDGAFQWSA-N 1 0 376.320 2.381 20 0 GEADRO Cc1ccnc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1Br ZINC000865599875 653769585 /nfs/dbraw/zinc/76/95/85/653769585.db2.gz WFDLLWYYCLPCOY-UHFFFAOYSA-N 1 0 384.318 2.124 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c(Cl)cc1Cl ZINC000842827548 653769942 /nfs/dbraw/zinc/76/99/42/653769942.db2.gz LDSHIBAUUSRXKM-OAHLLOKOSA-N 1 0 395.308 2.448 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000842837995 653770201 /nfs/dbraw/zinc/77/02/01/653770201.db2.gz DTTYMPQMSSUKHP-JTQLQIEISA-N 1 0 395.294 2.346 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)/C=C/c1ccccc1Br ZINC000842850571 653770448 /nfs/dbraw/zinc/77/04/48/653770448.db2.gz BGGBQRVLJTYLSQ-XKZLPGLHSA-N 1 0 377.279 2.381 20 0 GEADRO COC[C@]1(CNS(=O)(=O)/C=C/c2ccccc2Br)CCC[NH2+]1 ZINC000842859039 653770618 /nfs/dbraw/zinc/77/06/18/653770618.db2.gz GBIDTNJFRBSGHV-JOZWUWCOSA-N 1 0 389.315 2.108 20 0 GEADRO COC[C@]1(CNS(=O)(=O)/C=C/c2cccc(Br)c2)CCC[NH2+]1 ZINC000842859800 653770854 /nfs/dbraw/zinc/77/08/54/653770854.db2.gz UDUBHJKCKCUWNX-RZIFZGNASA-N 1 0 389.315 2.108 20 0 GEADRO O=S(=O)(c1ccc(Br)o1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842871434 653771336 /nfs/dbraw/zinc/77/13/36/653771336.db2.gz ANZNRUQRJRPBBL-RYUDHWBXSA-N 1 0 377.304 2.442 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000842894605 653772514 /nfs/dbraw/zinc/77/25/14/653772514.db2.gz UYVILMDIIGWTTI-UONOGXRCSA-N 1 0 386.901 2.137 20 0 GEADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000842894993 653772517 /nfs/dbraw/zinc/77/25/17/653772517.db2.gz WOISJBYHJAAGLS-IUCAKERBSA-N 1 0 384.370 2.392 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@@]4(CCC[NH2+]4)C3)cc21 ZINC000842898271 653772927 /nfs/dbraw/zinc/77/29/27/653772927.db2.gz PDNCJGCAPGTCQE-INIZCTEOSA-N 1 0 398.326 2.457 20 0 GEADRO NS(=O)(=O)c1cc(Br)ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000865731915 653773242 /nfs/dbraw/zinc/77/32/42/653773242.db2.gz HUTVECNBCWWWOT-UHFFFAOYSA-N 1 0 388.331 2.383 20 0 GEADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@@H](O)[C@@H](C)O)cc1Br ZINC000865738120 653773554 /nfs/dbraw/zinc/77/35/54/653773554.db2.gz JDNRKRPWIKIROC-IQMDTDKHSA-N 1 0 380.254 2.101 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NCCCCCC[NH3+])cc1Br ZINC000842920223 653773786 /nfs/dbraw/zinc/77/37/86/653773786.db2.gz QCPYODVKKYBJQA-UHFFFAOYSA-N 1 0 395.319 2.264 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccnc2Br)[C@@H](O)C1 ZINC000865747608 653773780 /nfs/dbraw/zinc/77/37/80/653773780.db2.gz VCAIHZBLFWRIAH-OLZOCXBDSA-N 1 0 386.290 2.304 20 0 GEADRO O=C1OC[C@@]2(C[NH2+]Cc3cc(Br)c(Cl)s3)COCCN12 ZINC000865770041 653774359 /nfs/dbraw/zinc/77/43/59/653774359.db2.gz NMDLOIBEMIXUGG-GFCCVEGCSA-N 1 0 381.679 2.475 20 0 GEADRO O=C1CNC(=O)N1Cc1ccc(C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000865772917 653774481 /nfs/dbraw/zinc/77/44/81/653774481.db2.gz CPHMGFPKTRCBBD-UHFFFAOYSA-N 1 0 378.226 2.384 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865771692 653774498 /nfs/dbraw/zinc/77/44/98/653774498.db2.gz YKQVDGVYLFVNES-BDJLRTHQSA-N 1 0 387.249 2.330 20 0 GEADRO C[C@@H](C[NH2+]Cc1cnc(C2OCCO2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000865783373 653774763 /nfs/dbraw/zinc/77/47/63/653774763.db2.gz PIEUTHLVLSFLCC-LBPRGKRZSA-N 1 0 382.507 2.485 20 0 GEADRO C/C(=C/c1ccc(Br)o1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000865801816 653775391 /nfs/dbraw/zinc/77/53/91/653775391.db2.gz DCFYXGGWDJKWHP-JFBXQDQPSA-N 1 0 384.318 2.445 20 0 GEADRO CCN(CC)c1ncc(C[NH2+]CCc2ccc(S(=O)(=O)NC)cc2)s1 ZINC000865818488 653776193 /nfs/dbraw/zinc/77/61/93/653776193.db2.gz AEGQUTHSPAGYHD-UHFFFAOYSA-N 1 0 382.555 2.230 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)ccc1Cl ZINC000882345846 653777206 /nfs/dbraw/zinc/77/72/06/653777206.db2.gz MFLOEFKHQWDADW-UHFFFAOYSA-N 1 0 386.901 2.233 20 0 GEADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc4nc(Cl)ncc4s3)C2)CC1 ZINC000882345874 653777210 /nfs/dbraw/zinc/77/72/10/653777210.db2.gz NVIKIMAGTMSUJD-UHFFFAOYSA-N 1 0 386.930 2.451 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)cc1F ZINC000820597057 653777422 /nfs/dbraw/zinc/77/74/22/653777422.db2.gz RGXPHUUFMBYBCQ-NEPJUHHUSA-N 1 0 382.379 2.049 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843052030 653778107 /nfs/dbraw/zinc/77/81/07/653778107.db2.gz KGGCGYRZVADTGD-UHFFFAOYSA-N 1 0 386.290 2.422 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@@H](O)COCC1CC1)c1ccc(Br)cc1F ZINC000843068950 653778568 /nfs/dbraw/zinc/77/85/68/653778568.db2.gz PQLLBGLLBFIBNT-CZUORRHYSA-N 1 0 376.266 2.173 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@H](O)COCC1CC1)c1ccc(Br)cc1F ZINC000843068954 653778618 /nfs/dbraw/zinc/77/86/18/653778618.db2.gz PQLLBGLLBFIBNT-XJKSGUPXSA-N 1 0 376.266 2.173 20 0 GEADRO CC(C)COC[C@H](O)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000843069845 653778664 /nfs/dbraw/zinc/77/86/64/653778664.db2.gz SVFGOHILVLCANL-CJNGLKHVSA-N 1 0 378.282 2.419 20 0 GEADRO C[C@@](O)(C[NH2+]CC1(CO)CCOCC1)c1ccc(Br)cc1F ZINC000843075151 653778805 /nfs/dbraw/zinc/77/88/05/653778805.db2.gz FIQJCPPDHDGKNB-OAHLLOKOSA-N 1 0 376.266 2.174 20 0 GEADRO OCCN1CCCC[C@H]1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843093859 653779174 /nfs/dbraw/zinc/77/91/74/653779174.db2.gz OMQJCYQMQYAUKU-XJKSGUPXSA-N 1 0 375.282 2.058 20 0 GEADRO C[C@](O)(C[NH2+]C[C@@H]1CCCCN1CCO)c1ccc(Br)cc1F ZINC000843096430 653779305 /nfs/dbraw/zinc/77/93/05/653779305.db2.gz ZVPBUJMGULNESN-YOEHRIQHSA-N 1 0 389.309 2.232 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@]1(CCO)CCOC1)c1ccc(Br)cc1F ZINC000843100337 653779359 /nfs/dbraw/zinc/77/93/59/653779359.db2.gz JAXYPKJONNAVAI-CVEARBPZSA-N 1 0 376.266 2.174 20 0 GEADRO C[C@@](O)(C[NH2+][C@H](CO)CN1CCCCC1)c1ccc(Br)cc1F ZINC000843113217 653779797 /nfs/dbraw/zinc/77/97/97/653779797.db2.gz PFQZKARLSQKEQB-WMLDXEAASA-N 1 0 389.309 2.232 20 0 GEADRO [NH3+]CCc1noc(-c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)n1 ZINC000843128172 653780169 /nfs/dbraw/zinc/78/01/69/653780169.db2.gz JZFNYMSWEMEDPU-UHFFFAOYSA-N 1 0 384.889 2.456 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000865951945 653781179 /nfs/dbraw/zinc/78/11/79/653781179.db2.gz LRYSKPZQPFRTAU-FGTMMUONSA-N 1 0 393.325 2.298 20 0 GEADRO [NH3+][C@H]1C[C@@H](c2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)C1 ZINC000843201417 653781196 /nfs/dbraw/zinc/78/11/96/653781196.db2.gz UEKGPSLLCJROQQ-OTSSQURYSA-N 1 0 376.214 2.276 20 0 GEADRO F[C@@]1(c2nc(-c3ccc4ncc(I)n4c3)no2)CC[NH2+]C1 ZINC000843225429 653781912 /nfs/dbraw/zinc/78/19/12/653781912.db2.gz ZWIYZMFRRDRSML-ZDUSSCGKSA-N 1 0 399.167 2.147 20 0 GEADRO Ic1cnc2ccc(-c3noc(C4CC[NH2+]CC4)n3)cn12 ZINC000843224206 653781969 /nfs/dbraw/zinc/78/19/69/653781969.db2.gz LOXVOAUUOSIOTD-UHFFFAOYSA-N 1 0 395.204 2.456 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843259757 653782247 /nfs/dbraw/zinc/78/22/47/653782247.db2.gz SKHAVPYVHIBPGE-CYBMUJFWSA-N 1 0 384.318 2.132 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000789946916 653783466 /nfs/dbraw/zinc/78/34/66/653783466.db2.gz OIWCJPFHRKNGQX-UHFFFAOYSA-N 1 0 378.826 2.050 20 0 GEADRO CC(C)(O)C[NH+]1CCC(NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000820814349 653784523 /nfs/dbraw/zinc/78/45/23/653784523.db2.gz JANQDOAYSJHUCO-UHFFFAOYSA-N 1 0 384.318 2.213 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1I ZINC000882489267 653784532 /nfs/dbraw/zinc/78/45/32/653784532.db2.gz PSKFLKCIVXUYTI-QMMMGPOBSA-N 1 0 380.176 2.393 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000882499089 653785034 /nfs/dbraw/zinc/78/50/34/653785034.db2.gz FTVBRJWJFLBJQA-UHFFFAOYSA-N 1 0 394.313 2.266 20 0 GEADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1nnnn1-c1ccccc1Br ZINC000843361018 653785683 /nfs/dbraw/zinc/78/56/83/653785683.db2.gz QKQHJWOFVPAUFF-YHWZYXNKSA-N 1 0 377.290 2.269 20 0 GEADRO O=C(CN1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1I ZINC000843363521 653785746 /nfs/dbraw/zinc/78/57/46/653785746.db2.gz SBKWPFXMZUAXJQ-UHFFFAOYSA-N 1 0 399.276 2.305 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000843390225 653785985 /nfs/dbraw/zinc/78/59/85/653785985.db2.gz LEJXQEBRHJKNMM-HNNXBMFYSA-N 1 0 393.285 2.401 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Br)cnc1Cl ZINC000843428810 653786808 /nfs/dbraw/zinc/78/68/08/653786808.db2.gz NITGHZYPPMFKKP-SNVBAGLBSA-N 1 0 375.698 2.049 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)ccc1Cl ZINC000843455356 653787358 /nfs/dbraw/zinc/78/73/58/653787358.db2.gz FAVZJHJPLXOGIX-UHFFFAOYSA-N 1 0 382.873 2.117 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)/C=C\c1ccc(I)o1 ZINC000843475409 653787808 /nfs/dbraw/zinc/78/78/08/653787808.db2.gz RLXYMKHQYKJHJH-XMWDXMLXSA-N 1 0 378.185 2.056 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cc1ccc(Cl)cc1Br ZINC000843478373 653787987 /nfs/dbraw/zinc/78/79/87/653787987.db2.gz NWUUCWKDICWCHO-CYBMUJFWSA-N 1 0 389.677 2.009 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000843486922 653788143 /nfs/dbraw/zinc/78/81/43/653788143.db2.gz LLWGQJSFYUSKHJ-UHFFFAOYSA-N 1 0 395.257 2.095 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000843506176 653788664 /nfs/dbraw/zinc/78/86/64/653788664.db2.gz YEKYMVKMZIJWML-NWDGAFQWSA-N 1 0 375.922 2.226 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)CCN1c1cc[nH+]cc1 ZINC000882619186 653791101 /nfs/dbraw/zinc/79/11/01/653791101.db2.gz DTITZVDAHULMKL-NSHDSACASA-N 1 0 382.873 2.500 20 0 GEADRO COc1ncc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1Cl ZINC000882620026 653791143 /nfs/dbraw/zinc/79/11/43/653791143.db2.gz ZAXAIMWOSSXFGU-GFCCVEGCSA-N 1 0 382.873 2.038 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)Cn2ccc(Br)cc2=O)cc1F ZINC000866344914 653791169 /nfs/dbraw/zinc/79/11/69/653791169.db2.gz BOELDOPALWTBKS-UHFFFAOYSA-N 1 0 382.233 2.450 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000790584158 653793527 /nfs/dbraw/zinc/79/35/27/653793527.db2.gz QIOAIDXKSJXGKH-LBPRGKRZSA-N 1 0 393.289 2.493 20 0 GEADRO C[C@@H](CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)n1cc(Br)cn1 ZINC000843797436 653794482 /nfs/dbraw/zinc/79/44/82/653794482.db2.gz VGGNLKKZRYGIFC-XJKSGUPXSA-N 1 0 399.333 2.356 20 0 GEADRO CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3cccc(Br)c3)C[C@@H]2C1 ZINC000821328643 653794750 /nfs/dbraw/zinc/79/47/50/653794750.db2.gz MQJPYSGZFKWNDL-BNOWGMLFSA-N 1 0 380.286 2.186 20 0 GEADRO C[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1I)[NH+](C)C ZINC000821521726 653800248 /nfs/dbraw/zinc/80/02/48/653800248.db2.gz VPBHMAXVSHWJRT-NSHDSACASA-N 1 0 398.248 2.157 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)Oc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000866527357 653800741 /nfs/dbraw/zinc/80/07/41/653800741.db2.gz YKPBEERAIJBNPU-UHFFFAOYSA-N 1 0 383.491 2.180 20 0 GEADRO C[C@@H](CNC(=O)Nc1cc(Br)cnc1-n1cccn1)C[NH+](C)C ZINC000821565705 653801119 /nfs/dbraw/zinc/80/11/19/653801119.db2.gz DLIUNYICGCNNIO-NSHDSACASA-N 1 0 381.278 2.349 20 0 GEADRO CN(CCN(C)S(=O)(=O)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC000866544839 653801525 /nfs/dbraw/zinc/80/15/25/653801525.db2.gz CKMWMAKGHGKSKI-UHFFFAOYSA-N 1 0 391.940 2.267 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cnc1Br ZINC000790973836 653802094 /nfs/dbraw/zinc/80/20/94/653802094.db2.gz HCUOTWOCWLSDAI-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO CCC[NH+]1CCC(N(C)S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000866593026 653804729 /nfs/dbraw/zinc/80/47/29/653804729.db2.gz VKLHJPWNPZPBLG-XMMPIXPASA-N 1 0 391.534 2.333 20 0 GEADRO COC[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000866596951 653805376 /nfs/dbraw/zinc/80/53/76/653805376.db2.gz LLYSDHRIXGZRAU-HNNXBMFYSA-N 1 0 391.331 2.150 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cnn(Cc4ccccc4)c3Br)C[C@H]21 ZINC000821758295 653805562 /nfs/dbraw/zinc/80/55/62/653805562.db2.gz MPSMATISFDTRMP-ZSHCYNCHSA-N 1 0 389.297 2.326 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)ccc1Cl ZINC000882768885 653805837 /nfs/dbraw/zinc/80/58/37/653805837.db2.gz XORQYWFXMPJBNU-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)c(Cl)c1 ZINC000882769236 653806083 /nfs/dbraw/zinc/80/60/83/653806083.db2.gz MMHOVSLYQRAPAT-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(I)cnn2C)C12CCC2 ZINC000866629580 653806913 /nfs/dbraw/zinc/80/69/13/653806913.db2.gz IOYHZKYTBPEUOL-QWHCGFSZSA-N 1 0 375.254 2.462 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000866643324 653807699 /nfs/dbraw/zinc/80/76/99/653807699.db2.gz HAEILRLYRQFGEY-KRWDZBQOSA-N 1 0 387.571 2.241 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1csc(I)n1 ZINC000821830287 653808744 /nfs/dbraw/zinc/80/87/44/653808744.db2.gz INXRHQUFVLELPI-SECBINFHSA-N 1 0 379.267 2.352 20 0 GEADRO COC(=O)c1cc(Br)ccc1OS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866675667 653809803 /nfs/dbraw/zinc/80/98/03/653809803.db2.gz OVDAPBLLNNRDAV-UHFFFAOYSA-N 1 0 392.271 2.039 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000866674818 653809817 /nfs/dbraw/zinc/80/98/17/653809817.db2.gz DYJYYTSCVWMTPR-OAHLLOKOSA-N 1 0 399.384 2.334 20 0 GEADRO CCn1ncc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1Br ZINC000821893671 653811099 /nfs/dbraw/zinc/81/10/99/653811099.db2.gz IESJTXRCCJQJCC-QWHCGFSZSA-N 1 0 387.347 2.317 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000821929274 653812244 /nfs/dbraw/zinc/81/22/44/653812244.db2.gz UGRCEQJQHUAYCV-QGZVFWFLSA-N 1 0 375.296 2.428 20 0 GEADRO C[C@@H](c1cccc(Br)c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711168 653813870 /nfs/dbraw/zinc/81/38/70/653813870.db2.gz DFQKZUUTYKRPFO-SRMUXQRQSA-N 1 0 380.286 2.377 20 0 GEADRO Cn1nc(Br)nc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000895053878 653814591 /nfs/dbraw/zinc/81/45/91/653814591.db2.gz YVQLYOCAVHSPIL-LSDHHAIUSA-N 1 0 376.302 2.284 20 0 GEADRO O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)Nc1cccc(I)c1 ZINC000866721375 653815433 /nfs/dbraw/zinc/81/54/33/653815433.db2.gz VQIQSFWBYYBTMH-ZIAGYGMSSA-N 1 0 385.249 2.056 20 0 GEADRO O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1ccccc1I ZINC000866720006 653815441 /nfs/dbraw/zinc/81/54/41/653815441.db2.gz GOSULQINWHLFOH-KBPBESRZSA-N 1 0 385.249 2.056 20 0 GEADRO O=C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1ccccc1I ZINC000866720008 653815467 /nfs/dbraw/zinc/81/54/67/653815467.db2.gz GOSULQINWHLFOH-UONOGXRCSA-N 1 0 385.249 2.056 20 0 GEADRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(Br)nn1C)NC(=O)OC(C)(C)C ZINC000895075437 653816076 /nfs/dbraw/zinc/81/60/76/653816076.db2.gz WSFFBDJGWMWOBM-UWVGGRQHSA-N 1 0 376.299 2.359 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(Cc2sc(N3CCOCC3)nc2Cl)C[C@@H]1C ZINC000895079259 653816380 /nfs/dbraw/zinc/81/63/80/653816380.db2.gz QFFAZYHHGXNMSK-OKILXGFUSA-N 1 0 388.965 2.174 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)Cc2c(Br)cccc2OC)C1 ZINC000866733972 653816585 /nfs/dbraw/zinc/81/65/85/653816585.db2.gz GNHNBCNEFKLTSM-LBPRGKRZSA-N 1 0 391.331 2.219 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000866738273 653817427 /nfs/dbraw/zinc/81/74/27/653817427.db2.gz MNEVWCWVTWTGRU-VXGBXAGGSA-N 1 0 391.331 2.265 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000866745800 653818433 /nfs/dbraw/zinc/81/84/33/653818433.db2.gz LSCZZGVMOUUPBM-MRXNPFEDSA-N 1 0 387.933 2.112 20 0 GEADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000866748304 653818625 /nfs/dbraw/zinc/81/86/25/653818625.db2.gz MJLKISRLLMTNJD-WFASDCNBSA-N 1 0 378.416 2.161 20 0 GEADRO Cc1csc(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1Cl ZINC000791597427 653819158 /nfs/dbraw/zinc/81/91/58/653819158.db2.gz HNZRMQCTOMQRAP-ZDUSSCGKSA-N 1 0 388.917 2.340 20 0 GEADRO CC1([NH+]2CCC2)CCN(c2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000882961960 653819909 /nfs/dbraw/zinc/81/99/09/653819909.db2.gz CGAIMVNDSOXFCG-UHFFFAOYSA-N 1 0 388.331 2.161 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000866757503 653820098 /nfs/dbraw/zinc/82/00/98/653820098.db2.gz WPOAKNZFVFWNCD-UAVUOLJFSA-N 1 0 387.571 2.021 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000866769694 653822225 /nfs/dbraw/zinc/82/22/25/653822225.db2.gz PKRSLLAYBOSACL-LBPRGKRZSA-N 1 0 391.331 2.409 20 0 GEADRO C[C@H](C[NH2+]Cc1c(I)cnn1C)C(=O)OC(C)(C)C ZINC000895187945 653822265 /nfs/dbraw/zinc/82/22/65/653822265.db2.gz JNUJWTSJYUBMOE-SECBINFHSA-N 1 0 379.242 2.092 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000866770246 653822454 /nfs/dbraw/zinc/82/24/54/653822454.db2.gz WNQHSDCLTVEFRF-WDEREUQCSA-N 1 0 377.304 2.005 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1(Cl)Cl ZINC000866775243 653823634 /nfs/dbraw/zinc/82/36/34/653823634.db2.gz YFXCHRLMTZTKGA-XDQVBPFNSA-N 1 0 385.357 2.118 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1(Cl)Cl ZINC000866776396 653823913 /nfs/dbraw/zinc/82/39/13/653823913.db2.gz YAFHTIMYMSKHLB-YIYPIFLZSA-N 1 0 385.357 2.261 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1(Cl)Cl ZINC000866778978 653824400 /nfs/dbraw/zinc/82/44/00/653824400.db2.gz GNDBLXNDMQZNFH-OPRDCNLKSA-N 1 0 383.263 2.359 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000866780736 653824741 /nfs/dbraw/zinc/82/47/41/653824741.db2.gz HSDOJXYLMKPUHZ-INIZCTEOSA-N 1 0 390.908 2.399 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)c(Cl)cc1Cl ZINC000866793680 653827337 /nfs/dbraw/zinc/82/73/37/653827337.db2.gz BYNNWHVTELRNEU-UHFFFAOYSA-N 1 0 393.292 2.424 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1csc(I)n1 ZINC000822432352 653827853 /nfs/dbraw/zinc/82/78/53/653827853.db2.gz BQSLAJYNRGIWJG-RKDXNWHRSA-N 1 0 377.251 2.104 20 0 GEADRO Cn1cc(Br)c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1=O ZINC000822469100 653829064 /nfs/dbraw/zinc/82/90/64/653829064.db2.gz RGEKCSCGCXZXRI-UHFFFAOYSA-N 1 0 398.326 2.413 20 0 GEADRO Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cnc1Br ZINC000822492407 653829367 /nfs/dbraw/zinc/82/93/67/653829367.db2.gz ADIIGWDFDOXYBO-AWEZNQCLSA-N 1 0 383.290 2.215 20 0 GEADRO C[NH+](C)CC[C@@H](N)c1nc(-c2csc(I)c2)no1 ZINC000844915203 653829388 /nfs/dbraw/zinc/82/93/88/653829388.db2.gz DAUSRVJSIUPWQY-MRVPVSSYSA-N 1 0 378.239 2.354 20 0 GEADRO Cn1cc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c(I)n1 ZINC000895348846 653829511 /nfs/dbraw/zinc/82/95/11/653829511.db2.gz AWLGNPBEAPDNGG-OAHLLOKOSA-N 1 0 396.276 2.389 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000883122791 653829612 /nfs/dbraw/zinc/82/96/12/653829612.db2.gz AAWPBPUHTGEQCI-VXGBXAGGSA-N 1 0 375.382 2.356 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000895369566 653830406 /nfs/dbraw/zinc/83/04/06/653830406.db2.gz VMUMZGVWKOKOFB-YGRLFVJLSA-N 1 0 389.315 2.463 20 0 GEADRO COc1cc(CCC[NH2+]Cc2nc(Br)nn2C)cc(OC)c1O ZINC000895375764 653830850 /nfs/dbraw/zinc/83/08/50/653830850.db2.gz DQXSLZMPACTZCW-UHFFFAOYSA-N 1 0 385.262 2.023 20 0 GEADRO Cn1cc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c(I)n1 ZINC000895389762 653831807 /nfs/dbraw/zinc/83/18/07/653831807.db2.gz PYUUHJZDUDLWFN-HNNXBMFYSA-N 1 0 399.232 2.344 20 0 GEADRO COC[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)[C@@H]1CCCOC1 ZINC000883205837 653832474 /nfs/dbraw/zinc/83/24/74/653832474.db2.gz DWBFTYSVNXGTKZ-YCPHGPKFSA-N 1 0 388.302 2.220 20 0 GEADRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cnc(Br)cn1 ZINC000895408112 653833271 /nfs/dbraw/zinc/83/32/71/653833271.db2.gz OKZLYXYVVOHMFC-NSHDSACASA-N 1 0 389.253 2.404 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000866824145 653833509 /nfs/dbraw/zinc/83/35/09/653833509.db2.gz QXHOFZXNAVYIDU-UPCLLVRISA-N 1 0 385.555 2.338 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866825110 653833761 /nfs/dbraw/zinc/83/37/61/653833761.db2.gz PNSGMLQRAZOWAP-CABCVRRESA-N 1 0 388.917 2.270 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC000883336411 653836205 /nfs/dbraw/zinc/83/62/05/653836205.db2.gz MSZZIMGSRKYJJL-AWEZNQCLSA-N 1 0 390.285 2.301 20 0 GEADRO CS(=O)(=O)C1(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC[NH2+]CC1 ZINC000822695396 653836931 /nfs/dbraw/zinc/83/69/31/653836931.db2.gz DKSIIZFIEVNKDF-UHFFFAOYSA-N 1 0 375.372 2.379 20 0 GEADRO CCN1CC[C@H]1C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000883358505 653837048 /nfs/dbraw/zinc/83/70/48/653837048.db2.gz MOVVVTIGVNELHU-WFASDCNBSA-N 1 0 384.318 2.146 20 0 GEADRO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCCOC1 ZINC000883354619 653837050 /nfs/dbraw/zinc/83/70/50/653837050.db2.gz ZVEXAUKORBDRMM-JSGCOSHPSA-N 1 0 391.331 2.391 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)ccc1S(C)(=O)=O ZINC000883360243 653837340 /nfs/dbraw/zinc/83/73/40/653837340.db2.gz YMWDAZLEUQOHOV-QPUJVOFHSA-N 1 0 391.358 2.308 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883361007 653837377 /nfs/dbraw/zinc/83/73/77/653837377.db2.gz QUYSCHYCKKVKMN-ZYHUDNBSSA-N 1 0 375.359 2.305 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)ccc1S(C)(=O)=O ZINC000883360242 653837408 /nfs/dbraw/zinc/83/74/08/653837408.db2.gz YMWDAZLEUQOHOV-PRHODGIISA-N 1 0 391.358 2.308 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000866848893 653837573 /nfs/dbraw/zinc/83/75/73/653837573.db2.gz REIIXTMAZOIDEJ-BBRMVZONSA-N 1 0 394.313 2.086 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883374638 653837629 /nfs/dbraw/zinc/83/76/29/653837629.db2.gz KCSNCEVLDOEWOL-DDBAPUKQSA-N 1 0 385.551 2.245 20 0 GEADRO C[C@@H](NC(=O)CN(CC[NH3+])CC(F)(F)F)c1ccc(Br)cc1 ZINC000883446185 653840194 /nfs/dbraw/zinc/84/01/94/653840194.db2.gz YWIDTBHZYNJYSX-SNVBAGLBSA-N 1 0 382.224 2.449 20 0 GEADRO [NH3+]CCN(CC(=O)Nc1cc2c(cc1Cl)OCCCO2)CC(F)(F)F ZINC000883445142 653840262 /nfs/dbraw/zinc/84/02/62/653840262.db2.gz JQHCLVCNSDJFPK-UHFFFAOYSA-N 1 0 381.782 2.263 20 0 GEADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000883466014 653840709 /nfs/dbraw/zinc/84/07/09/653840709.db2.gz DDYFVRFZUDHASQ-SKDRFNHKSA-N 1 0 397.722 2.148 20 0 GEADRO O=C(Nc1nncs1)c1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)nc1 ZINC000895567472 653840983 /nfs/dbraw/zinc/84/09/83/653840983.db2.gz PZGFKMVQYNVWGJ-STQMWFEESA-N 1 0 376.511 2.177 20 0 GEADRO NS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(C(F)(F)F)c1 ZINC000895571662 653841295 /nfs/dbraw/zinc/84/12/95/653841295.db2.gz KYIDPVPKJRKXNR-UONOGXRCSA-N 1 0 395.472 2.345 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000895571628 653841373 /nfs/dbraw/zinc/84/13/73/653841373.db2.gz KHDUBQHGYRFBCY-VHSXEESVSA-N 1 0 383.319 2.118 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000883473677 653841708 /nfs/dbraw/zinc/84/17/08/653841708.db2.gz IKWMOLDHNYJCGY-CQSZACIVSA-N 1 0 385.917 2.012 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C2 ZINC000883480544 653842454 /nfs/dbraw/zinc/84/24/54/653842454.db2.gz GHBSAALGXXMRMR-UHFFFAOYSA-N 1 0 393.412 2.089 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)c(Cl)cc1F ZINC000883481414 653842751 /nfs/dbraw/zinc/84/27/51/653842751.db2.gz KNOLUDYKTOCBBK-UHFFFAOYSA-N 1 0 375.878 2.450 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895602592 653843102 /nfs/dbraw/zinc/84/31/02/653843102.db2.gz KKEBEKZPPKNTJF-DLBZAZTESA-N 1 0 396.329 2.498 20 0 GEADRO C[N@H+](CCCNC(=O)c1c[nH]nc1I)C1CCCCC1 ZINC000895626524 653844047 /nfs/dbraw/zinc/84/40/47/653844047.db2.gz STMPKBHIOKGZCV-UHFFFAOYSA-N 1 0 390.269 2.399 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895651857 653844568 /nfs/dbraw/zinc/84/45/68/653844568.db2.gz CTTSOGXDYSJZLY-CXAGYDPISA-N 1 0 384.270 2.266 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000866891716 653844764 /nfs/dbraw/zinc/84/47/64/653844764.db2.gz ALNZWBWUACTWOA-JBEBIEQOSA-N 1 0 391.534 2.191 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866897660 653845727 /nfs/dbraw/zinc/84/57/27/653845727.db2.gz ZVALOQQWNVFILN-KRWDZBQOSA-N 1 0 387.571 2.193 20 0 GEADRO COC(=O)[C@]1(O)CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000895702158 653846502 /nfs/dbraw/zinc/84/65/02/653846502.db2.gz ISCNBOFDTHYZQP-KRWDZBQOSA-N 1 0 394.269 2.053 20 0 GEADRO CCO/C=C\[C@](O)(C[NH2+]Cc1ncc(Br)cc1O)C(F)(F)F ZINC000895718240 653847661 /nfs/dbraw/zinc/84/76/61/653847661.db2.gz LFMXLGZTMACPBK-MVZIDQBPSA-N 1 0 385.180 2.483 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000883626928 653848391 /nfs/dbraw/zinc/84/83/91/653848391.db2.gz MLVDAUFRSAWAIQ-UHFFFAOYSA-N 1 0 384.274 2.126 20 0 GEADRO COc1cc(Br)ccc1-c1noc(-c2cn(CCC[NH3+])nn2)n1 ZINC000822985131 653848977 /nfs/dbraw/zinc/84/89/77/653848977.db2.gz FPXKWEQZXMBWIW-UHFFFAOYSA-N 1 0 379.218 2.115 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cscc2Br)[C@H](C[NH3+])C1 ZINC000883641074 653849132 /nfs/dbraw/zinc/84/91/32/653849132.db2.gz GVSNMDZZPLAUGO-PWSUYJOCSA-N 1 0 388.331 2.055 20 0 GEADRO CN(C1CCC(NC(=O)OC(C)(C)C)CC1)S(=O)(=O)CCC[NH+](C)C ZINC000866920873 653849870 /nfs/dbraw/zinc/84/98/70/653849870.db2.gz ICCQLPNHWPZIJM-UHFFFAOYSA-N 1 0 377.551 2.036 20 0 GEADRO COC[C@@]1(c2nc(-c3csc(I)c3)no2)CC[NH2+]C1 ZINC000823015503 653850406 /nfs/dbraw/zinc/85/04/06/653850406.db2.gz GSEGWYXIUAPHOM-GFCCVEGCSA-N 1 0 391.234 2.280 20 0 GEADRO O=c1[nH]ccn2c(C[NH2+]C3CC(c4ccc(Br)cc4F)C3)nnc12 ZINC000895789467 653850359 /nfs/dbraw/zinc/85/03/59/653850359.db2.gz AAMPMFOCTMRDGE-UHFFFAOYSA-N 1 0 392.232 2.355 20 0 GEADRO O=C(NCCc1ccc(F)c(Br)c1)C1C[NH+](C2CCOCC2)C1 ZINC000895806713 653851056 /nfs/dbraw/zinc/85/10/56/653851056.db2.gz ILRKKYWATIWVDG-UHFFFAOYSA-N 1 0 385.277 2.358 20 0 GEADRO C[C@@H](NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)C(C)(C)C[NH+](C)C ZINC000866941669 653852863 /nfs/dbraw/zinc/85/28/63/653852863.db2.gz KDPHNBQRCFWRBC-SPSFWMDKSA-N 1 0 379.523 2.093 20 0 GEADRO O=C(NCc1ccc(Br)cn1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883803697 653853688 /nfs/dbraw/zinc/85/36/88/653853688.db2.gz MJGAVZJJJRTLRM-MRXNPFEDSA-N 1 0 397.317 2.287 20 0 GEADRO Ic1cnc2ccc(-c3noc([C@@H]4C[C@H]5C[C@H]5[NH2+]4)n3)cn12 ZINC000823115106 653854086 /nfs/dbraw/zinc/85/40/86/653854086.db2.gz IPOZNFJRYPXDTH-BBBLOLIVSA-N 1 0 393.188 2.412 20 0 GEADRO CNC(=O)C1([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCOCC1 ZINC000895884936 653855682 /nfs/dbraw/zinc/85/56/82/653855682.db2.gz URYKZXLWXNTACN-UHFFFAOYSA-N 1 0 393.285 2.020 20 0 GEADRO CSCCONC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000792920370 653855870 /nfs/dbraw/zinc/85/58/70/653855870.db2.gz WQFWXAAWHRUTOW-UHFFFAOYSA-N 1 0 386.949 2.446 20 0 GEADRO COC[C@@]1(c2nc(-c3cc(Br)c(C)nc3OC)no2)CC[NH2+]C1 ZINC000823153025 653855875 /nfs/dbraw/zinc/85/58/75/653855875.db2.gz SIZBRBNXPCGYQG-OAHLLOKOSA-N 1 0 383.246 2.089 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Br)c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000883934112 653856054 /nfs/dbraw/zinc/85/60/54/653856054.db2.gz BKNFDUQNHIAWTC-AWEZNQCLSA-N 1 0 390.709 2.011 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866961133 653856092 /nfs/dbraw/zinc/85/60/92/653856092.db2.gz ZHSRSCNUWMTZIN-UHFFFAOYSA-N 1 0 378.897 2.134 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823170827 653856454 /nfs/dbraw/zinc/85/64/54/653856454.db2.gz JDCZWBKJRSFFCY-UHFFFAOYSA-N 1 0 378.527 2.020 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)nc1Br ZINC000792949349 653856777 /nfs/dbraw/zinc/85/67/77/653856777.db2.gz ZHUUFYXLKAFETL-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)nc1Br ZINC000792953501 653857060 /nfs/dbraw/zinc/85/70/60/653857060.db2.gz PWSBGDRSHHIZJT-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)nc1Br ZINC000792964639 653857947 /nfs/dbraw/zinc/85/79/47/653857947.db2.gz MKHRRLSJVCWOQD-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)nc1Br ZINC000792966055 653857962 /nfs/dbraw/zinc/85/79/62/653857962.db2.gz DGYAEGIPGNPWDZ-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)nc1Br ZINC000792971173 653858498 /nfs/dbraw/zinc/85/84/98/653858498.db2.gz ZONDNKFOTPYORP-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC[C@@H]1CC1(Cl)Cl ZINC000823226061 653858825 /nfs/dbraw/zinc/85/88/25/653858825.db2.gz YRJAWMZQFFYWDL-SNVBAGLBSA-N 1 0 385.288 2.368 20 0 GEADRO COc1nn(C)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000883958777 653859075 /nfs/dbraw/zinc/85/90/75/653859075.db2.gz HGXQKIIBOGGWEQ-UHFFFAOYSA-N 1 0 395.301 2.395 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792986838 653859408 /nfs/dbraw/zinc/85/94/08/653859408.db2.gz ORIYHCBWLOHRAO-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@]1(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1(Cl)Cl ZINC000866982716 653859564 /nfs/dbraw/zinc/85/95/64/653859564.db2.gz TVJJWJTYXICXCB-QLFBSQMISA-N 1 0 399.384 2.258 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895981778 653859648 /nfs/dbraw/zinc/85/96/48/653859648.db2.gz JOXOKYFYWVIZDC-GWCFXTLKSA-N 1 0 389.315 2.331 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884011363 653860349 /nfs/dbraw/zinc/86/03/49/653860349.db2.gz AZKKJSFSBDJYBN-VIFPVBQESA-N 1 0 384.665 2.165 20 0 GEADRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(OC(F)F)c(Br)c1 ZINC000884027719 653861035 /nfs/dbraw/zinc/86/10/35/653861035.db2.gz LFFFFIDQQLLJFI-UHFFFAOYSA-N 1 0 392.244 2.028 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)nc1Br ZINC000793006921 653861472 /nfs/dbraw/zinc/86/14/72/653861472.db2.gz OQJZJWKXKLLPEV-ZDUSSCGKSA-N 1 0 397.317 2.424 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884054583 653861744 /nfs/dbraw/zinc/86/17/44/653861744.db2.gz JVZUWJDTMVFJDG-ZDUSSCGKSA-N 1 0 382.302 2.400 20 0 GEADRO Brc1ccc(-n2cnc(-c3nc(N4CC[NH2+]CC4)no3)c2)cc1 ZINC000823304357 653862000 /nfs/dbraw/zinc/86/20/00/653862000.db2.gz UBVIBILESICLCM-UHFFFAOYSA-N 1 0 375.230 2.094 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000884061940 653862084 /nfs/dbraw/zinc/86/20/84/653862084.db2.gz ZUELDCFRIITXCI-VIFPVBQESA-N 1 0 375.782 2.263 20 0 GEADRO Cc1ncc2c(n1)CC[C@H](NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)C2 ZINC000884067487 653862098 /nfs/dbraw/zinc/86/20/98/653862098.db2.gz IRGVUCFYXPPIPK-HOCLYGCPSA-N 1 0 375.270 2.221 20 0 GEADRO Clc1ccc(-c2nc(N3CC[NH2+]CC3)no2)cc1I ZINC000823321335 653863001 /nfs/dbraw/zinc/86/30/01/653863001.db2.gz ZGMGPFZRGSLKHE-UHFFFAOYSA-N 1 0 390.612 2.404 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)[C@@H](C)C1 ZINC000793047261 653864114 /nfs/dbraw/zinc/86/41/14/653864114.db2.gz UHEKXLBGUSIPNW-QWHCGFSZSA-N 1 0 397.317 2.280 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)nc1Br ZINC000793046174 653864141 /nfs/dbraw/zinc/86/41/41/653864141.db2.gz IAXKQUKBKDPZGQ-CHWSQXEVSA-N 1 0 395.301 2.034 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)[C@H](C)C1 ZINC000793047260 653864163 /nfs/dbraw/zinc/86/41/63/653864163.db2.gz UHEKXLBGUSIPNW-OLZOCXBDSA-N 1 0 397.317 2.280 20 0 GEADRO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884115066 653864517 /nfs/dbraw/zinc/86/45/17/653864517.db2.gz IONSUYTVQOGPBT-UKRRQHHQSA-N 1 0 382.302 2.214 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000793059045 653864755 /nfs/dbraw/zinc/86/47/55/653864755.db2.gz OKUUUJDUXCRYRG-OLZOCXBDSA-N 1 0 395.301 2.176 20 0 GEADRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000884121170 653864982 /nfs/dbraw/zinc/86/49/82/653864982.db2.gz IQRQZHDCHJEFTN-ZDUSSCGKSA-N 1 0 380.290 2.485 20 0 GEADRO [NH3+][C@@H](C(=O)NCCCOCC1CCOCC1)c1ccc(Br)cc1 ZINC000884151534 653865976 /nfs/dbraw/zinc/86/59/76/653865976.db2.gz PBYQYIWLTDGEDB-MRXNPFEDSA-N 1 0 385.302 2.398 20 0 GEADRO CO[C@H](C)c1noc(CN(C)C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884170469 653866620 /nfs/dbraw/zinc/86/66/20/653866620.db2.gz XUDSGGXOYCMATF-RNCFNFMXSA-N 1 0 383.246 2.198 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000896162880 653866961 /nfs/dbraw/zinc/86/69/61/653866961.db2.gz BGYMHTSZMKHIHM-MRXNPFEDSA-N 1 0 395.297 2.331 20 0 GEADRO CC(C)C[C@H](NC(=O)c1snc(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000845890072 653868348 /nfs/dbraw/zinc/86/83/48/653868348.db2.gz CNVWSUVBKKTFOB-VIFPVBQESA-N 1 0 381.329 2.272 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000884277860 653870056 /nfs/dbraw/zinc/87/00/56/653870056.db2.gz XDQQREHVJJLLPT-XHDPSFHLSA-N 1 0 381.270 2.118 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](CCN2CCOC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000823491976 653870157 /nfs/dbraw/zinc/87/01/57/653870157.db2.gz FAMGAXDABDEIDM-LSDHHAIUSA-N 1 0 397.269 2.090 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000884286575 653870669 /nfs/dbraw/zinc/87/06/69/653870669.db2.gz HJBFGXQZNKWGLY-UHFFFAOYSA-N 1 0 385.555 2.312 20 0 GEADRO CC[N@H+](CCC1CCN(S(=O)(=O)N=[S@](C)(=O)CC)CC1)CC1CC1 ZINC000867049882 653871048 /nfs/dbraw/zinc/87/10/48/653871048.db2.gz ORAJUDQEVUNDDQ-HSZRJFAPSA-N 1 0 379.592 2.183 20 0 GEADRO CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884306482 653871354 /nfs/dbraw/zinc/87/13/54/653871354.db2.gz GBXJQNHAFVEPCT-KGLIPLIRSA-N 1 0 384.274 2.186 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884300423 653871366 /nfs/dbraw/zinc/87/13/66/653871366.db2.gz ZTXGUKGDPLTJCP-DZGCQCFKSA-N 1 0 381.270 2.179 20 0 GEADRO COc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 ZINC000845941502 653871528 /nfs/dbraw/zinc/87/15/28/653871528.db2.gz WQMBCWFQAGZTOV-UHFFFAOYSA-N 1 0 384.395 2.486 20 0 GEADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CSCC(=O)N1 ZINC000823555444 653871645 /nfs/dbraw/zinc/87/16/45/653871645.db2.gz OOCSTKZYZOOATO-INIZCTEOSA-N 1 0 379.551 2.435 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)nc1Cl ZINC000845956606 653872468 /nfs/dbraw/zinc/87/24/68/653872468.db2.gz ZLQUUKXEFAZGQQ-GFCCVEGCSA-N 1 0 391.324 2.351 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(Br)cc1 ZINC000884335382 653873125 /nfs/dbraw/zinc/87/31/25/653873125.db2.gz QWDAMXSEFDSELE-VNQPRFMTSA-N 1 0 397.313 2.133 20 0 GEADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ncc(Br)cc1Br ZINC000884360282 653874170 /nfs/dbraw/zinc/87/41/70/653874170.db2.gz XUDAWPVAIZKLMT-BDAKNGLRSA-N 1 0 377.080 2.462 20 0 GEADRO O=C(NCCC1SCCS1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000823623300 653874308 /nfs/dbraw/zinc/87/43/08/653874308.db2.gz ROBCPXHVABNCHG-GOSISDBHSA-N 1 0 381.567 2.119 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867067394 653874605 /nfs/dbraw/zinc/87/46/05/653874605.db2.gz JUJMICPTHPIEKE-RDJZCZTQSA-N 1 0 387.571 2.239 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C(=O)O1 ZINC000896336379 653874993 /nfs/dbraw/zinc/87/49/93/653874993.db2.gz YLNCFMWQTBGKIC-SWLSCSKDSA-N 1 0 398.301 2.226 20 0 GEADRO [NH3+]CCC1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884387777 653875065 /nfs/dbraw/zinc/87/50/65/653875065.db2.gz DQKXXYGKMWEMRB-OAHLLOKOSA-N 1 0 381.270 2.118 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]nc1I ZINC000896340456 653875284 /nfs/dbraw/zinc/87/52/84/653875284.db2.gz BNECOYUJWTZWGH-SNVBAGLBSA-N 1 0 376.242 2.009 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1nn2c(c1Br)CCC2 ZINC000884404374 653875746 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CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000824249995 653889411 /nfs/dbraw/zinc/88/94/11/653889411.db2.gz DOYBTGZAOOOZGE-SJKOYZFVSA-N 1 0 386.539 2.498 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(Br)cc2-c2nn[nH]n2)C1 ZINC000824262029 653889689 /nfs/dbraw/zinc/88/96/89/653889689.db2.gz UHPSFGZCEDUSHR-ZDUSSCGKSA-N 1 0 395.305 2.398 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C[NH2+]1 ZINC000884820524 653890026 /nfs/dbraw/zinc/89/00/26/653890026.db2.gz SJBJBAGJYFYWQG-KOLCDFICSA-N 1 0 377.794 2.232 20 0 GEADRO Cc1ccc(Br)c2cc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)[nH]c21 ZINC000824298079 653890713 /nfs/dbraw/zinc/89/07/13/653890713.db2.gz PTKJWSSYWRXNNW-NWDGAFQWSA-N 1 0 378.270 2.130 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000846231967 653892135 /nfs/dbraw/zinc/89/21/35/653892135.db2.gz LKHWFHJAPKVEBU-ZWNOBZJWSA-N 1 0 384.445 2.283 20 0 GEADRO CC[N@H+](CCC(N)=O)Cc1cc(I)c(OC)c(OC)c1 ZINC000896714324 653892178 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20 0 GEADRO COCC[N@H+](C)CCCNC(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000824514343 653899481 /nfs/dbraw/zinc/89/94/81/653899481.db2.gz FPIMDEGBQVPEIH-UHFFFAOYSA-N 1 0 386.909 2.287 20 0 GEADRO Cc1ccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)nc1Br ZINC000794365026 653906055 /nfs/dbraw/zinc/90/60/55/653906055.db2.gz VCZMOYDBBUTOCX-UHFFFAOYSA-N 1 0 384.322 2.302 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000846678016 653906230 /nfs/dbraw/zinc/90/62/30/653906230.db2.gz VFGRWNYVUUDNEF-MFKMUULPSA-N 1 0 375.213 2.429 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000846692082 653906569 /nfs/dbraw/zinc/90/65/69/653906569.db2.gz OVUHKMGQZKNYCI-UHFFFAOYSA-N 1 0 387.933 2.276 20 0 GEADRO C[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@@H]1CC[NH3+] ZINC000846693706 653906632 /nfs/dbraw/zinc/90/66/32/653906632.db2.gz JMSHLEZBMJYHHF-SWLSCSKDSA-N 1 0 387.933 2.180 20 0 GEADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000885042038 653908451 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CCN1CCC([NH+]2CCC(C(=O)NCC(F)(F)Br)CC2)CC1 ZINC000848070590 653958402 /nfs/dbraw/zinc/95/84/02/653958402.db2.gz FHWUZFSTVNOAGM-UHFFFAOYSA-N 1 0 382.293 2.287 20 0 GEADRO O=C(COc1ccc(Br)cc1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885855185 653960104 /nfs/dbraw/zinc/96/01/04/653960104.db2.gz KSOYCZQNOUSLLY-HNNXBMFYSA-N 1 0 383.286 2.197 20 0 GEADRO COc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1 ZINC000885865597 653960500 /nfs/dbraw/zinc/96/05/00/653960500.db2.gz JIAKAFCMZOVBMJ-CYBMUJFWSA-N 1 0 383.286 2.441 20 0 GEADRO CC(C)(C)n1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(Br)n1 ZINC000885880243 653961728 /nfs/dbraw/zinc/96/17/28/653961728.db2.gz OPUFJSQKMRBTAD-ZDUSSCGKSA-N 1 0 399.333 2.384 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)CC(C)(C)C[NH+](C)C ZINC000898310800 653961992 /nfs/dbraw/zinc/96/19/92/653961992.db2.gz ZTCBBEOWCJXNCN-AWEZNQCLSA-N 1 0 390.981 2.224 20 0 GEADRO CC(C)[NH+]1CCN(CCCOC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000885916133 653963284 /nfs/dbraw/zinc/96/32/84/653963284.db2.gz 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Cn1ccn2c(CC[NH2+][C@H]3CCc4c3cccc4Br)nnc2c1=O ZINC000886699187 653994923 /nfs/dbraw/zinc/99/49/23/653994923.db2.gz WCNMGCVGKFMLPW-AWEZNQCLSA-N 1 0 388.269 2.010 20 0 GEADRO COC[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000886735085 653996555 /nfs/dbraw/zinc/99/65/55/653996555.db2.gz WXLIEGJKMVVLEY-AWEZNQCLSA-N 1 0 380.432 2.407 20 0 GEADRO CS(=O)(=O)C1(C(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)CCCC1 ZINC000899048295 653996851 /nfs/dbraw/zinc/99/68/51/653996851.db2.gz ZYOISPCFUCRGQZ-UHFFFAOYSA-N 1 0 384.889 2.007 20 0 GEADRO C[C@H]([NH2+]CCN1CCNC1=O)c1ccc(F)c(I)c1 ZINC000886745048 653997373 /nfs/dbraw/zinc/99/73/73/653997373.db2.gz MRVOSTWLXVIGKV-VIFPVBQESA-N 1 0 377.201 2.106 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000796429495 653997716 /nfs/dbraw/zinc/99/77/16/653997716.db2.gz HMBTUXXIJSGKFG-CYBMUJFWSA-N 1 0 398.301 2.231 20 0 GEADRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000867864311 654001256 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O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1F ZINC000886897990 654008050 /nfs/dbraw/zinc/00/80/50/654008050.db2.gz OJJMBCVAOVJYEG-QMMMGPOBSA-N 1 0 387.221 2.111 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886899248 654008425 /nfs/dbraw/zinc/00/84/25/654008425.db2.gz FTCYOIFETOQPMM-QGZVFWFLSA-N 1 0 386.901 2.281 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000886899666 654008445 /nfs/dbraw/zinc/00/84/45/654008445.db2.gz QRSFODVMSHNVNC-GUYCJALGSA-N 1 0 385.555 2.100 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000867961714 654011096 /nfs/dbraw/zinc/01/10/96/654011096.db2.gz YVLFARYQFAJVHB-NEPJUHHUSA-N 1 0 386.233 2.266 20 0 GEADRO COc1cc(I)ccc1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000867964150 654011127 /nfs/dbraw/zinc/01/11/27/654011127.db2.gz KMLDETLQPWXIBR-MNOVXSKESA-N 1 0 388.249 2.418 20 0 GEADRO CCCN(C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000867963045 654011142 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CCN(C(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000887000776 654013839 /nfs/dbraw/zinc/01/38/39/654013839.db2.gz KVVSVSGXEUPIGT-CQSZACIVSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000868009673 654014001 /nfs/dbraw/zinc/01/40/01/654014001.db2.gz CERLLSNJDKLOKL-LRDDRELGSA-N 1 0 381.929 2.359 20 0 GEADRO CCN(C(=O)C(=O)Nc1cccc2cncc(Br)c21)[C@@H]1CC[NH2+]C1 ZINC000887004100 654014463 /nfs/dbraw/zinc/01/44/63/654014463.db2.gz HXPNPJGDNCUKKL-GFCCVEGCSA-N 1 0 391.269 2.146 20 0 GEADRO CCN(C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)[C@@H]1CC[NH2+]C1 ZINC000887007496 654014482 /nfs/dbraw/zinc/01/44/82/654014482.db2.gz LWQKUDAFEDLVAF-SNVBAGLBSA-N 1 0 375.803 2.133 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F)[C@H]1CC[NH2+]C1 ZINC000887007680 654014753 /nfs/dbraw/zinc/01/47/53/654014753.db2.gz PYMPPPOVJCKHNX-NSHDSACASA-N 1 0 375.803 2.133 20 0 GEADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1 ZINC000849348840 654015111 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COc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000868305782 654029406 /nfs/dbraw/zinc/02/94/06/654029406.db2.gz HJDGCZROKHBAIB-ZSBIGDGJSA-N 1 0 396.285 2.043 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000868303925 654029432 /nfs/dbraw/zinc/02/94/32/654029432.db2.gz TZSYPVVFWVUQPQ-PHIMTYICSA-N 1 0 376.254 2.394 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000868305684 654029463 /nfs/dbraw/zinc/02/94/63/654029463.db2.gz GDUJRYZDMGHIIX-LJGSYFOKSA-N 1 0 378.629 2.034 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000868307375 654029699 /nfs/dbraw/zinc/02/96/99/654029699.db2.gz ZVIJSCVHUQQKJV-CLLJXQQHSA-N 1 0 380.286 2.343 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000868307993 654030047 /nfs/dbraw/zinc/03/00/47/654030047.db2.gz PZDRNDTUFFMDDS-UBSAEIQESA-N 1 0 380.286 2.343 20 0 GEADRO [NH3+]Cc1cnn(Cc2cn([C@H]3CCOc4ccc(Br)cc43)nn2)c1 ZINC000899738802 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Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cn1 ZINC000849585882 654046220 /nfs/dbraw/zinc/04/62/20/654046220.db2.gz FLYJYZPYGPJXBS-QBYUYEEZSA-N 1 0 385.339 2.498 20 0 GEADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc3c(s2)CSCC3)cn1 ZINC000849590347 654046241 /nfs/dbraw/zinc/04/62/41/654046241.db2.gz ASKBSGAPULROTA-CHWSQXEVSA-N 1 0 377.539 2.340 20 0 GEADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cncc(Br)c2)cn1 ZINC000849569223 654046349 /nfs/dbraw/zinc/04/63/49/654046349.db2.gz SEZBFNZNQYIVTN-LSDHHAIUSA-N 1 0 378.274 2.252 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CSCCS2)[C@H](c2cnn(C)c2)C1 ZINC000849558004 654046361 /nfs/dbraw/zinc/04/63/61/654046361.db2.gz KQUOBKOEDLVVMN-IKGGRYGDSA-N 1 0 382.599 2.199 20 0 GEADRO COC(=O)C[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc(Br)cc1 ZINC000900028100 654046831 /nfs/dbraw/zinc/04/68/31/654046831.db2.gz CRWYEAHOXOXWGL-CQSZACIVSA-N 1 0 381.270 2.265 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 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395.301 2.013 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3C(=O)Nc4c3cccc4Br)C[C@]2(C)C1 ZINC000887921099 654058333 /nfs/dbraw/zinc/05/83/33/654058333.db2.gz RLHPGRRPDDWVBQ-YNKQFZHNSA-N 1 0 392.297 2.285 20 0 GEADRO Cn1c(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc2cc(Br)cnc21 ZINC000887920544 654058356 /nfs/dbraw/zinc/05/83/56/654058356.db2.gz ATJPAEPBNYCBEU-PXAZEXFGSA-N 1 0 377.286 2.360 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)([NH+](C)C)C1 ZINC000798320516 654058584 /nfs/dbraw/zinc/05/85/84/654058584.db2.gz QUJSZQQOMHWAFB-SJCJKPOMSA-N 1 0 387.933 2.228 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900322781 654059269 /nfs/dbraw/zinc/05/92/69/654059269.db2.gz NXVHXUARUUQKOI-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO CCn1c(Br)ncc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000900338544 654059457 /nfs/dbraw/zinc/05/94/57/654059457.db2.gz ARPIYWLGDSRTRX-UHFFFAOYSA-N 1 0 393.289 2.065 20 0 GEADRO C[NH+](C)CCN(C(=O)c1c[nH]nc1I)c1ccccc1 ZINC000900428283 654063208 /nfs/dbraw/zinc/06/32/08/654063208.db2.gz ASLCSZZPLKYUIE-UHFFFAOYSA-N 1 0 384.221 2.223 20 0 GEADRO Cc1ccc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c(Br)n1 ZINC000829257507 654063469 /nfs/dbraw/zinc/06/34/69/654063469.db2.gz JJUWCIYDKXSKQP-UHFFFAOYSA-N 1 0 382.302 2.337 20 0 GEADRO CC(C)[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000829344967 654065026 /nfs/dbraw/zinc/06/50/26/654065026.db2.gz DZBPMAJBHLAVFQ-HOCLYGCPSA-N 1 0 388.343 2.381 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c(C)c1Cl ZINC000798470324 654065092 /nfs/dbraw/zinc/06/50/92/654065092.db2.gz BEQLPEKLLSDYRP-UHFFFAOYSA-N 1 0 380.919 2.259 20 0 GEADRO O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1nc2cc(Cl)ccc2s1 ZINC000900473558 654066214 /nfs/dbraw/zinc/06/62/14/654066214.db2.gz UOOROXXPEHNOQJ-NSHDSACASA-N 1 0 379.869 2.365 20 0 GEADRO O=C(c1nc(C2CC2)ncc1Br)N1CC[NH2+]CCC12CCOCC2 ZINC000900478425 654066512 /nfs/dbraw/zinc/06/65/12/654066512.db2.gz SSJKZENHSJVARZ-UHFFFAOYSA-N 1 0 395.301 2.101 20 0 GEADRO O=C(NCCSCCC(F)(F)F)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000869062975 654067904 /nfs/dbraw/zinc/06/79/04/654067904.db2.gz HIMHEVOQXUNPRZ-KBPBESRZSA-N 1 0 383.480 2.349 20 0 GEADRO O=C(NCc1ccc(Br)cn1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000869118617 654070213 /nfs/dbraw/zinc/07/02/13/654070213.db2.gz JVYOMGWJIOYBCH-CVEARBPZSA-N 1 0 397.317 2.021 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cnccc1C ZINC000850356581 654072564 /nfs/dbraw/zinc/07/25/64/654072564.db2.gz XHQJGSHVSDEEKO-HNNXBMFYSA-N 1 0 382.917 2.240 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000900608233 654072671 /nfs/dbraw/zinc/07/26/71/654072671.db2.gz ROIKYQJNNKSOPA-PHEKWQANSA-N 1 0 391.270 2.488 20 0 GEADRO OCCO[C@@]1(C[NH2+]Cc2nc3ccc(Br)cc3s2)CCOC1 ZINC000850358625 654072956 /nfs/dbraw/zinc/07/29/56/654072956.db2.gz SPAOUYSMSYMGBO-OAHLLOKOSA-N 1 0 387.299 2.316 20 0 GEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cnc(Br)n2)CC1 ZINC000829590483 654073551 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OCCO[C@]1(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CCOC1 ZINC000850507685 654080164 /nfs/dbraw/zinc/08/01/64/654080164.db2.gz KHTKSFYTFFDHBO-OCCSQVGLSA-N 1 0 377.304 2.114 20 0 GEADRO Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)s1 ZINC000900800158 654081024 /nfs/dbraw/zinc/08/10/24/654081024.db2.gz BMELSXAEGRCYNL-GXTWGEPZSA-N 1 0 378.567 2.473 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000869284591 654083778 /nfs/dbraw/zinc/08/37/78/654083778.db2.gz HDUOXYLXURBVFP-HOTGVXAUSA-N 1 0 382.302 2.227 20 0 GEADRO O=S(=O)(c1cncc(Br)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000850588817 654084180 /nfs/dbraw/zinc/08/41/80/654084180.db2.gz GEWUSOWRQSJHRZ-ZDUSSCGKSA-N 1 0 388.331 2.244 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3cccc4scnc43)C2)C1 ZINC000850589966 654084454 /nfs/dbraw/zinc/08/44/54/654084454.db2.gz RAENJDQBORSYPF-MGPQQGTHSA-N 1 0 381.523 2.203 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000850590497 654084485 /nfs/dbraw/zinc/08/44/85/654084485.db2.gz LWRJAAQXUYGYNX-UHFFFAOYSA-N 1 0 381.267 2.147 20 0 GEADRO C[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)Oc1cccc(Br)c1 ZINC000900875132 654084964 /nfs/dbraw/zinc/08/49/64/654084964.db2.gz DGNKWINMHHRKQM-CXAGYDPISA-N 1 0 385.302 2.179 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000869306987 654086018 /nfs/dbraw/zinc/08/60/18/654086018.db2.gz NIRWCCPHJWSISR-INIZCTEOSA-N 1 0 390.281 2.002 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000829998250 654090897 /nfs/dbraw/zinc/09/08/97/654090897.db2.gz IMLOVGFLKOOYEY-UHFFFAOYSA-N 1 0 381.567 2.430 20 0 GEADRO Cn1cc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c(Br)n1 ZINC000888519927 654091322 /nfs/dbraw/zinc/09/13/22/654091322.db2.gz ZCSDFYUTEGUQLT-UHFFFAOYSA-N 1 0 394.273 2.325 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000830083325 654097330 /nfs/dbraw/zinc/09/73/30/654097330.db2.gz JIIQGHIXFZJMIK-OAHLLOKOSA-N 1 0 383.286 2.500 20 0 GEADRO Cn1cc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c(Br)n1 ZINC000900959366 654099399 /nfs/dbraw/zinc/09/93/99/654099399.db2.gz XDVIBXNLDRRCQW-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000916570479 654100032 /nfs/dbraw/zinc/10/00/32/654100032.db2.gz GASYVDLEZSWZIJ-UHFFFAOYSA-N 1 0 388.276 2.369 20 0 GEADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000830125620 654100047 /nfs/dbraw/zinc/10/00/47/654100047.db2.gz ZOUYYRBXLOXELF-ABAIWWIYSA-N 1 0 387.249 2.396 20 0 GEADRO C[C@@H]1C[NH+](CCCCNC(=O)[C@@H](O)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000900980776 654100386 /nfs/dbraw/zinc/10/03/86/654100386.db2.gz PMVYBABMCQAPTR-CPUCHLNUSA-N 1 0 399.329 2.488 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccsc3Br)C[C@@H]2C1 ZINC000916660147 654103412 /nfs/dbraw/zinc/10/34/12/654103412.db2.gz FGGITAOELLSIET-PWSUYJOCSA-N 1 0 379.345 2.224 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)C[C@H]3C2)s1 ZINC000916663507 654104014 /nfs/dbraw/zinc/10/40/14/654104014.db2.gz IHZMDMPVBGDSPV-MNOVXSKESA-N 1 0 379.345 2.391 20 0 GEADRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCn2ncc(Br)c2C1 ZINC000850751596 654104545 /nfs/dbraw/zinc/10/45/45/654104545.db2.gz DPEWRJJMEBUOLU-UHFFFAOYSA-N 1 0 376.258 2.339 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)C1(n2cc(Br)cn2)CC1)c1cccnc1 ZINC000830209955 654105886 /nfs/dbraw/zinc/10/58/86/654105886.db2.gz OJQZMKCRRHESGU-HNNXBMFYSA-N 1 0 392.301 2.339 20 0 GEADRO COC1CC[NH+](C2(CNC(=O)c3cn(C)nc3Br)CCCC2)CC1 ZINC000888856441 654108172 /nfs/dbraw/zinc/10/81/72/654108172.db2.gz NOQHSHOPWJBBED-UHFFFAOYSA-N 1 0 399.333 2.336 20 0 GEADRO C[C@@H](C(=O)NCc1cc(Br)cc(Br)c1N)[NH+](C)C ZINC000830247259 654108199 /nfs/dbraw/zinc/10/81/99/654108199.db2.gz USYOVMDWTGGPIB-ZETCQYMHSA-N 1 0 379.096 2.360 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc(F)cc1F ZINC000799724957 654108280 /nfs/dbraw/zinc/10/82/80/654108280.db2.gz BTVQQCTYJLTFCQ-IPYPFGDCSA-N 1 0 394.534 2.212 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901106481 654109287 /nfs/dbraw/zinc/10/92/87/654109287.db2.gz YBPUMAVOZDDCDU-YVEFUNNKSA-N 1 0 387.293 2.482 20 0 GEADRO C[C@H](CCNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000917236831 654117326 /nfs/dbraw/zinc/11/73/26/654117326.db2.gz FBDMRHWJLVVDIF-QVQLBTGDSA-N 1 0 387.449 2.208 20 0 GEADRO CSc1cc(C(=O)N2CCN(C)CC[N@H+](C)CC2)ccc1Br ZINC000888979308 654117459 /nfs/dbraw/zinc/11/74/59/654117459.db2.gz OEMIEHPYVFKMBZ-UHFFFAOYSA-N 1 0 386.359 2.490 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000799861744 654118483 /nfs/dbraw/zinc/11/84/83/654118483.db2.gz VXFPBCHWUULPGK-INIZCTEOSA-N 1 0 382.302 2.409 20 0 GEADRO CN1CCN(C(=O)CCCc2ccccc2Br)CC[N@H+](C)CC1 ZINC000888989222 654119112 /nfs/dbraw/zinc/11/91/12/654119112.db2.gz BHEQPTRXHPFHNE-UHFFFAOYSA-N 1 0 382.346 2.478 20 0 GEADRO O=C(CSCC1CC[NH2+]CC1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000830477181 654120209 /nfs/dbraw/zinc/12/02/09/654120209.db2.gz KPOQSXQIQYOYNW-UHFFFAOYSA-N 1 0 378.466 2.354 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901322058 654120436 /nfs/dbraw/zinc/12/04/36/654120436.db2.gz GXGXJHJKCZRHND-KKXDTOCCSA-N 1 0 399.329 2.488 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000901325888 654120832 /nfs/dbraw/zinc/12/08/32/654120832.db2.gz MAWMDOLXBANTNL-KRWDZBQOSA-N 1 0 385.277 2.320 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000869777075 654122400 /nfs/dbraw/zinc/12/24/00/654122400.db2.gz HFVWZVVGPGJBIF-JTQLQIEISA-N 1 0 391.256 2.231 20 0 GEADRO Cn1nc(C(F)(F)F)c(NC(=O)Nc2cnn(CC[NH+](C)C)c2)c1Cl ZINC000889192303 654128060 /nfs/dbraw/zinc/12/80/60/654128060.db2.gz UYEDXILTALYLEN-UHFFFAOYSA-N 1 0 379.774 2.494 20 0 GEADRO COC1CC[NH+](CCNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000889198203 654129294 /nfs/dbraw/zinc/12/92/94/654129294.db2.gz JLFLOXSEXAECND-UHFFFAOYSA-N 1 0 383.802 2.325 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)c1 ZINC000800122329 654130641 /nfs/dbraw/zinc/13/06/41/654130641.db2.gz ZYBQEKPQEYQHOE-LBPRGKRZSA-N 1 0 391.331 2.361 20 0 GEADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)OCCC[NH+]1CCCC1 ZINC000800135365 654131428 /nfs/dbraw/zinc/13/14/28/654131428.db2.gz DVDQSLFEIAKKMY-UHFFFAOYSA-N 1 0 394.269 2.188 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C)(C)CS(C)(=O)=O)C1 ZINC000917882122 654137005 /nfs/dbraw/zinc/13/70/05/654137005.db2.gz NHNVBEDWOTVBHV-HNNXBMFYSA-N 1 0 375.579 2.257 20 0 GEADRO Cn1cc([C@@]2(C[NH2+][C@H](C(N)=O)c3ccc(Br)cc3)CCCO2)cn1 ZINC000901686830 654140303 /nfs/dbraw/zinc/14/03/03/654140303.db2.gz VHXIYGHWTXDFNB-RDJZCZTQSA-N 1 0 393.285 2.005 20 0 GEADRO CCCCn1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1Cl ZINC000800310096 654140582 /nfs/dbraw/zinc/14/05/82/654140582.db2.gz RUJPLMRDLGPYEH-DZGCQCFKSA-N 1 0 376.954 2.453 20 0 GEADRO O=C1[C@@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)CCN1c1ccccc1F ZINC000901728085 654143623 /nfs/dbraw/zinc/14/36/23/654143623.db2.gz JXBRRGGENWIFSO-AAEUAGOBSA-N 1 0 393.260 2.495 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NCCc1cccs1 ZINC000901728167 654143901 /nfs/dbraw/zinc/14/39/01/654143901.db2.gz LPYWHEHDGSHVHC-VXGBXAGGSA-N 1 0 397.342 2.359 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000918368444 654149759 /nfs/dbraw/zinc/14/97/59/654149759.db2.gz JQDFNNCOHVXPAL-IAGOWNOFSA-N 1 0 386.901 2.089 20 0 GEADRO O=C1N[C@H]2C[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC[C@@H]2CO1 ZINC000830959174 654152711 /nfs/dbraw/zinc/15/27/11/654152711.db2.gz AJDSAQOJEPUWMB-GYSYKLTISA-N 1 0 375.252 2.163 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000870254292 654154704 /nfs/dbraw/zinc/15/47/04/654154704.db2.gz WSMFLJAKOSRDMM-CQSZACIVSA-N 1 0 395.253 2.412 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cn(-c2ccccc2Br)nn1 ZINC000918580418 654154988 /nfs/dbraw/zinc/15/49/88/654154988.db2.gz FIVQUVIDFVAXDL-CZUORRHYSA-N 1 0 390.285 2.386 20 0 GEADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1c[nH]nc1Cl ZINC000831014849 654155742 /nfs/dbraw/zinc/15/57/42/654155742.db2.gz GUGZFYALCUSNBR-UHFFFAOYSA-N 1 0 383.905 2.385 20 0 GEADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)Cn1cc(Br)cn1 ZINC000918620289 654156248 /nfs/dbraw/zinc/15/62/48/654156248.db2.gz IGXKDBRYFVIIAM-UHFFFAOYSA-N 1 0 379.302 2.279 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCS[C@H](C(F)(F)F)C1 ZINC000918861579 654164480 /nfs/dbraw/zinc/16/44/80/654164480.db2.gz NKHQIRSEQRLTCN-KBPBESRZSA-N 1 0 381.464 2.319 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)c(Br)c1 ZINC000918900833 654165371 /nfs/dbraw/zinc/16/53/71/654165371.db2.gz WDBHYVMVGMYPIG-UHFFFAOYSA-N 1 0 382.283 2.482 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)c1 ZINC000918899807 654165403 /nfs/dbraw/zinc/16/54/03/654165403.db2.gz KXUDNFQKUIVWOZ-UHFFFAOYSA-N 1 0 382.283 2.482 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(OC3CC3)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000831136120 654166532 /nfs/dbraw/zinc/16/65/32/654166532.db2.gz ZCCVLTPCYZAMGO-ZWKOTPCHSA-N 1 0 382.551 2.428 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889748067 654166781 /nfs/dbraw/zinc/16/67/81/654166781.db2.gz DHWFMTUICYDWTP-HZPDHXFCSA-N 1 0 385.277 2.188 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)C1 ZINC000918961491 654166832 /nfs/dbraw/zinc/16/68/32/654166832.db2.gz GIVIMWMPENGECD-ZDUSSCGKSA-N 1 0 387.354 2.273 20 0 GEADRO C[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1(Br)Br ZINC000851639936 654167272 /nfs/dbraw/zinc/16/72/72/654167272.db2.gz VYGRYDPUKIFTAX-CAHLUQPWSA-N 1 0 382.018 2.278 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000851640710 654167578 /nfs/dbraw/zinc/16/75/78/654167578.db2.gz CCVUNGRGWDVISW-ZDUSSCGKSA-N 1 0 376.400 2.385 20 0 GEADRO CC(C)(C)n1ncc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1Br ZINC000889752159 654167731 /nfs/dbraw/zinc/16/77/31/654167731.db2.gz WKPKYDMDPPSAMN-UONOGXRCSA-N 1 0 399.333 2.072 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756222 654168309 /nfs/dbraw/zinc/16/83/09/654168309.db2.gz MUWVOOMJLQNTRH-RRQGHBQHSA-N 1 0 397.313 2.274 20 0 GEADRO Cc1ccc(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889755104 654168382 /nfs/dbraw/zinc/16/83/82/654168382.db2.gz DISWMJREBRMAEF-IAGOWNOFSA-N 1 0 381.314 2.358 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[C@H](C)[NH3+] ZINC000851669028 654168446 /nfs/dbraw/zinc/16/84/46/654168446.db2.gz VKAGICFLQOPLEK-SJQPAMGKSA-N 1 0 383.128 2.260 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000851676717 654169110 /nfs/dbraw/zinc/16/91/10/654169110.db2.gz HZEIGFBYVCLQFZ-VXKCQOAXSA-N 1 0 380.286 2.284 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000831185939 654169268 /nfs/dbraw/zinc/16/92/68/654169268.db2.gz FKNBTFWCIDNRAL-AWEZNQCLSA-N 1 0 396.285 2.177 20 0 GEADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889763394 654169894 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C[N@H+](CCc1ccc(Br)cc1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851761901 654175144 /nfs/dbraw/zinc/17/51/44/654175144.db2.gz DGYZUUWSKVJETO-SFHVURJKSA-N 1 0 377.282 2.297 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC(F)(F)Br)CC1 ZINC000851778461 654176829 /nfs/dbraw/zinc/17/68/29/654176829.db2.gz GQYRLEPTAAEWFX-UHFFFAOYSA-N 1 0 384.309 2.390 20 0 GEADRO O=C1OCCN1c1cccc2c1CCN(CCn1cnc(Br)n1)C2 ZINC000851788207 654178089 /nfs/dbraw/zinc/17/80/89/654178089.db2.gz QZMUMNWIIBBKDD-UHFFFAOYSA-N 1 0 392.257 2.056 20 0 GEADRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC000831333409 654179355 /nfs/dbraw/zinc/17/93/55/654179355.db2.gz PUYWBQZNXKNAPV-CHWSQXEVSA-N 1 0 376.425 2.025 20 0 GEADRO Cc1cc(C)cc(-n2ccn(CN3CC[C@H](CS(N)(=O)=O)C3)c2=S)c1 ZINC000902522683 654181171 /nfs/dbraw/zinc/18/11/71/654181171.db2.gz GKFDBCYBSSBUIA-HNNXBMFYSA-N 1 0 380.539 2.193 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c(=O)n1C ZINC000889826421 654181724 /nfs/dbraw/zinc/18/17/24/654181724.db2.gz 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CCO[C@H](CNC(=O)c1cc(C)ccc1I)C[NH+](C)C ZINC000831750996 654206239 /nfs/dbraw/zinc/20/62/39/654206239.db2.gz CNDVGFSSQGSMEG-GFCCVEGCSA-N 1 0 390.265 2.296 20 0 GEADRO CC(C)OCCN1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870896521 654206277 /nfs/dbraw/zinc/20/62/77/654206277.db2.gz VCFXPSVRABTXMR-INIZCTEOSA-N 1 0 384.318 2.018 20 0 GEADRO O=C(N1CCn2c(c(Br)nc2C(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC000890200229 654206359 /nfs/dbraw/zinc/20/63/59/654206359.db2.gz IUMMTZPIUUBMGZ-UHFFFAOYSA-N 1 0 393.207 2.102 20 0 GEADRO Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1C ZINC000920265719 654206715 /nfs/dbraw/zinc/20/67/15/654206715.db2.gz JAWIAEWZRPBLQP-AHCXZYCDSA-N 1 0 386.583 2.431 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(c2ccc(F)cn2)CC1)c1cccc(Br)c1 ZINC000870912446 654207409 /nfs/dbraw/zinc/20/74/09/654207409.db2.gz HYVLNNWIGMJIPQ-INIZCTEOSA-N 1 0 393.260 2.332 20 0 GEADRO Cc1ncc2c(n1)CC[C@@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)C2 ZINC000870917763 654207725 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C[NH2+]CCC1CCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000870939268 654209532 /nfs/dbraw/zinc/20/95/32/654209532.db2.gz OQAHVLXZVMFJEK-KRWDZBQOSA-N 1 0 396.329 2.474 20 0 GEADRO C[NH2+]CC1CCN(C(=O)c2cnn(C(C)C)c2I)CC1 ZINC000870936793 654209753 /nfs/dbraw/zinc/20/97/53/654209753.db2.gz PGJKWIJDCNYYIP-UHFFFAOYSA-N 1 0 390.269 2.140 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccccc3Cl)C2)[C@@H]1C(C)C ZINC000920295892 654209898 /nfs/dbraw/zinc/20/98/98/654209898.db2.gz PODSDEHMAHCRTA-XYVMCAHJSA-N 1 0 386.945 2.488 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000903013125 654210233 /nfs/dbraw/zinc/21/02/33/654210233.db2.gz XGENBQJRYSQZNU-NEPJUHHUSA-N 1 0 383.290 2.088 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000870940785 654210445 /nfs/dbraw/zinc/21/04/45/654210445.db2.gz OGQSLWXPVXNGCM-KCXAZCMYSA-N 1 0 382.302 2.212 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000870942257 654210922 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20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)CCCOc2ccc(I)cc2)C1 ZINC000870970071 654214887 /nfs/dbraw/zinc/21/48/87/654214887.db2.gz DFCBFIJRZJGZAH-AULYBMBSSA-N 1 0 388.249 2.304 20 0 GEADRO NC(=O)[C@@](O)(C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000852041261 654215083 /nfs/dbraw/zinc/21/50/83/654215083.db2.gz NUBOJUOKHRTJGI-SJLPKXTDSA-N 1 0 383.275 2.380 20 0 GEADRO Cc1cc(Br)c(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000852063859 654215861 /nfs/dbraw/zinc/21/58/61/654215861.db2.gz SPHCFKUZRMVBJD-VXGBXAGGSA-N 1 0 388.331 2.481 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903093025 654215902 /nfs/dbraw/zinc/21/59/02/654215902.db2.gz OVKVIXXHGWBDEY-SJLPKXTDSA-N 1 0 397.313 2.335 20 0 GEADRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000903093508 654216231 /nfs/dbraw/zinc/21/62/31/654216231.db2.gz RWZIDBXFGLQKFD-TZMCWYRMSA-N 1 0 380.432 2.351 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCO[C@H](C(F)F)C1 ZINC000802146789 654216593 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GEADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC([NH+]2CCC2)CC1 ZINC000903203588 654226268 /nfs/dbraw/zinc/22/62/68/654226268.db2.gz CJBMVNSUNGOKAD-UHFFFAOYSA-N 1 0 377.279 2.447 20 0 GEADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[S@](=O)CC(F)(F)F ZINC000852241501 654227912 /nfs/dbraw/zinc/22/79/12/654227912.db2.gz HOYRPSYIZYIDMJ-SHZVTRLKSA-N 1 0 379.448 2.117 20 0 GEADRO CC(C)[C@@H](CSc1ccccc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903225962 654228506 /nfs/dbraw/zinc/22/85/06/654228506.db2.gz KIWVWWMNQUBLBC-OAHLLOKOSA-N 1 0 378.585 2.450 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCn2ncc(Br)c2C1 ZINC000852280821 654229684 /nfs/dbraw/zinc/22/96/84/654229684.db2.gz LRVAHJSPYIMUGT-ZDUSSCGKSA-N 1 0 382.306 2.188 20 0 GEADRO CC[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(OC(F)F)cc1 ZINC000903231510 654230828 /nfs/dbraw/zinc/23/08/28/654230828.db2.gz NEWQTPKIXBPNAA-CYBMUJFWSA-N 1 0 384.470 2.386 20 0 GEADRO C[C@]12CC[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]1C2(Br)Br ZINC000852335232 654233230 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CO[C@]1(C[NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)CCS(=O)(=O)C1 ZINC000903369069 654236944 /nfs/dbraw/zinc/23/69/44/654236944.db2.gz SGHJBVMUKQCROG-DYVFJYSZSA-N 1 0 377.453 2.402 20 0 GEADRO CO[C@]1(C[NH2+][C@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903369090 654237018 /nfs/dbraw/zinc/23/70/18/654237018.db2.gz SLABYTNYIGGGQG-DYVFJYSZSA-N 1 0 388.917 2.159 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1nc(Br)ccc1F ZINC000903397473 654237991 /nfs/dbraw/zinc/23/79/91/654237991.db2.gz FIEMXBYLRSRHHF-UWVGGRQHSA-N 1 0 382.237 2.408 20 0 GEADRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000852432301 654238442 /nfs/dbraw/zinc/23/84/42/654238442.db2.gz YHUOKLJHKBJTOQ-CHWSQXEVSA-N 1 0 375.252 2.260 20 0 GEADRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000852432302 654238594 /nfs/dbraw/zinc/23/85/94/654238594.db2.gz YHUOKLJHKBJTOQ-OLZOCXBDSA-N 1 0 375.252 2.260 20 0 GEADRO O=C1c2cccc(Br)c2CN1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000802736094 654238603 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GEADRO CCOc1ccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c2ncccc12 ZINC000903516051 654246098 /nfs/dbraw/zinc/24/60/98/654246098.db2.gz VSOAOZVKAJDORR-UHFFFAOYSA-N 1 0 377.388 2.145 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)Cc1cccc(F)c1Br ZINC000903517848 654246492 /nfs/dbraw/zinc/24/64/92/654246492.db2.gz GFYTWDKMITXCRB-QWRGUYRKSA-N 1 0 383.258 2.050 20 0 GEADRO Ic1cnnn1C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000852533031 654246643 /nfs/dbraw/zinc/24/66/43/654246643.db2.gz RRCWKGRXZPGAHM-CYBMUJFWSA-N 1 0 390.269 2.479 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc32)CC[C@H]1C(F)(F)F ZINC000903519147 654247283 /nfs/dbraw/zinc/24/72/83/654247283.db2.gz BSHQZRIEJCRJRV-NXEZZACHSA-N 1 0 382.795 2.117 20 0 GEADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000903521787 654248255 /nfs/dbraw/zinc/24/82/55/654248255.db2.gz HPDLEALKOMSHRZ-PSASIEDQSA-N 1 0 384.171 2.348 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c1F ZINC000903521600 654248277 /nfs/dbraw/zinc/24/82/77/654248277.db2.gz DQPBAPHIEWSMLU-VIFPVBQESA-N 1 0 381.267 2.017 20 0 GEADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903532694 654250726 /nfs/dbraw/zinc/25/07/26/654250726.db2.gz KBXPHUWWSBHGAL-DEOSSOPVSA-N 1 0 387.571 2.120 20 0 GEADRO Cc1cc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c(C)cc1Br ZINC000903543328 654252942 /nfs/dbraw/zinc/25/29/42/654252942.db2.gz XTFRAKLSPROXRO-UHFFFAOYSA-N 1 0 391.331 2.194 20 0 GEADRO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CCC12CCOCC2 ZINC000903547668 654253621 /nfs/dbraw/zinc/25/36/21/654253621.db2.gz ORMCAOWMPITKJC-UHFFFAOYSA-N 1 0 378.416 2.239 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000903547297 654253630 /nfs/dbraw/zinc/25/36/30/654253630.db2.gz QMKGJSYZFKGBKX-LBPRGKRZSA-N 1 0 379.309 2.430 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000903547472 654253636 /nfs/dbraw/zinc/25/36/36/654253636.db2.gz YUKFTIRLLFAOTC-NSHDSACASA-N 1 0 379.309 2.430 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1Cl ZINC000903550635 654254436 /nfs/dbraw/zinc/25/44/36/654254436.db2.gz STZVKWYSHWRKLT-CXAGYDPISA-N 1 0 382.869 2.260 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903554689 654254948 /nfs/dbraw/zinc/25/49/48/654254948.db2.gz VAPFAAZTZHUJFV-ABAIWWIYSA-N 1 0 376.906 2.030 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903554930 654254963 /nfs/dbraw/zinc/25/49/63/654254963.db2.gz YIGJFGGQDULAAE-HNNXBMFYSA-N 1 0 376.906 2.032 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903553286 654254977 /nfs/dbraw/zinc/25/49/77/654254977.db2.gz SLHAQBKXVWPAIZ-NXEZZACHSA-N 1 0 395.294 2.202 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903556300 654255193 /nfs/dbraw/zinc/25/51/93/654255193.db2.gz TYGJNWHSRZZWRQ-MGPQQGTHSA-N 1 0 390.933 2.359 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)c1Cl ZINC000903558448 654255570 /nfs/dbraw/zinc/25/55/70/654255570.db2.gz MAFQOEXOAGAPSH-PSASIEDQSA-N 1 0 380.919 2.102 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562370 654256579 /nfs/dbraw/zinc/25/65/79/654256579.db2.gz KGISJHJLEKYNMV-HDICACEKSA-N 1 0 383.945 2.070 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2csc(I)n2)C1 ZINC000832296106 654257638 /nfs/dbraw/zinc/25/76/38/654257638.db2.gz IVRPVVFFTRTXPV-VIFPVBQESA-N 1 0 379.267 2.350 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000903570527 654258059 /nfs/dbraw/zinc/25/80/59/654258059.db2.gz NYUYXUDXPFJSSG-GHMZBOCLSA-N 1 0 392.321 2.138 20 0 GEADRO O=S1(=O)N=C(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c2ccccc21 ZINC000852748555 654258327 /nfs/dbraw/zinc/25/83/27/654258327.db2.gz XEOKQROKUFLVIK-QGZVFWFLSA-N 1 0 375.881 2.478 20 0 GEADRO O=S(=O)(CCc1cccs1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903573188 654258863 /nfs/dbraw/zinc/25/88/63/654258863.db2.gz GSIAOKQROUIWMY-FUHWJXTLSA-N 1 0 378.519 2.466 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CCO1 ZINC000852760533 654258962 /nfs/dbraw/zinc/25/89/62/654258962.db2.gz HNYHYNHBIQGTDW-HNNXBMFYSA-N 1 0 376.469 2.226 20 0 GEADRO O=C(CC[C@@H]1CC1(Cl)Cl)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000852771787 654259841 /nfs/dbraw/zinc/25/98/41/654259841.db2.gz CTAMPGQCOVYSGY-MJBXVCDLSA-N 1 0 376.328 2.067 20 0 GEADRO Cn1nc(I)cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871801101 654259982 /nfs/dbraw/zinc/25/99/82/654259982.db2.gz IKPNYWFBETXRMZ-CBLAIPOGSA-N 1 0 385.209 2.073 20 0 GEADRO COC(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000852772195 654260385 /nfs/dbraw/zinc/26/03/85/654260385.db2.gz YSFCXUCSQHQWND-CQSZACIVSA-N 1 0 387.274 2.009 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)CC[C@H]1C(F)(F)F ZINC000903580300 654261428 /nfs/dbraw/zinc/26/14/28/654261428.db2.gz TYMANCMSPPLHFM-ZIAGYGMSSA-N 1 0 376.400 2.351 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871807893 654261650 /nfs/dbraw/zinc/26/16/50/654261650.db2.gz RYMLTNWSXJBPIS-OAHLLOKOSA-N 1 0 385.917 2.281 20 0 GEADRO CC(C)(C)n1ncc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1Br ZINC000852832006 654262115 /nfs/dbraw/zinc/26/21/15/654262115.db2.gz BYZAXYCZEUAUQO-KGLIPLIRSA-N 1 0 399.333 2.369 20 0 GEADRO COc1cc(C)c(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000871810194 654262444 /nfs/dbraw/zinc/26/24/44/654262444.db2.gz KAZUCZZDDPLVGS-ZDUSSCGKSA-N 1 0 388.917 2.094 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CC12CCOCC2 ZINC000852833072 654262715 /nfs/dbraw/zinc/26/27/15/654262715.db2.gz UJDLERMJNZQXNB-LLVKDONJSA-N 1 0 383.279 2.469 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852836884 654262841 /nfs/dbraw/zinc/26/28/41/654262841.db2.gz MYOHQUTWVDGLPM-UHFFFAOYSA-N 1 0 394.313 2.224 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871812077 654262846 /nfs/dbraw/zinc/26/28/46/654262846.db2.gz ZYISNAYREPJZKB-ZDUSSCGKSA-N 1 0 376.881 2.057 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000871812101 654262922 /nfs/dbraw/zinc/26/29/22/654262922.db2.gz VUXYZSMFFPFXQR-GZMMTYOYSA-N 1 0 387.221 2.207 20 0 GEADRO COC(=O)c1cc2nc(NC(=O)C[C@H]3CC[N@H+](C)C3)[nH]c2c(Br)c1 ZINC000891092499 654263494 /nfs/dbraw/zinc/26/34/94/654263494.db2.gz HVQNTKRHABTYQE-SECBINFHSA-N 1 0 395.257 2.392 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000871813397 654263541 /nfs/dbraw/zinc/26/35/41/654263541.db2.gz IKJBYMCGOPDVNC-MWLCHTKSSA-N 1 0 399.822 2.056 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@@H]1C(F)(F)F ZINC000871813791 654263942 /nfs/dbraw/zinc/26/39/42/654263942.db2.gz YDIDLFQNCZQQRW-CBAPKCEASA-N 1 0 392.321 2.185 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)ccc1Br ZINC000903587360 654264004 /nfs/dbraw/zinc/26/40/04/654264004.db2.gz TWZFMTRVCBLJLF-ZDUSSCGKSA-N 1 0 375.288 2.010 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903587757 654264012 /nfs/dbraw/zinc/26/40/12/654264012.db2.gz AZNPXASQDBWTJW-ABAIWWIYSA-N 1 0 388.331 2.017 20 0 GEADRO COc1ncc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)cc1Cl ZINC000903588297 654264100 /nfs/dbraw/zinc/26/41/00/654264100.db2.gz IGUSPZXGMAKSNL-JTQLQIEISA-N 1 0 385.848 2.209 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H]1C(F)(F)F ZINC000871814732 654264422 /nfs/dbraw/zinc/26/44/22/654264422.db2.gz XIYIXSLNMNGPSO-RNFRBKRXSA-N 1 0 378.750 2.376 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000871815020 654264427 /nfs/dbraw/zinc/26/44/27/654264427.db2.gz YUJNLKZFDMEZNG-XPUUQOCRSA-N 1 0 378.203 2.146 20 0 GEADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000852875323 654264486 /nfs/dbraw/zinc/26/44/86/654264486.db2.gz IKDRUFYOHJMDCJ-QGZVFWFLSA-N 1 0 375.270 2.460 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903589236 654264498 /nfs/dbraw/zinc/26/44/98/654264498.db2.gz NPEOADPVJCOGPP-DCGLDWPTSA-N 1 0 388.917 2.256 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl ZINC000871814362 654264494 /nfs/dbraw/zinc/26/44/94/654264494.db2.gz SRRFIEUVIVBWDT-ZJUUUORDSA-N 1 0 386.823 2.415 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cc(Br)ccc1Cl)C2 ZINC000871815515 654264741 /nfs/dbraw/zinc/26/47/41/654264741.db2.gz XFTHJBRTUWNFCX-TVQRCGJNSA-N 1 0 379.707 2.333 20 0 GEADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1sc2c(c1Br)CNC2 ZINC000852875941 654264819 /nfs/dbraw/zinc/26/48/19/654264819.db2.gz UEOSOMXBIYUAPA-UHFFFAOYSA-N 1 0 396.314 2.487 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])ccc1Br ZINC000903590737 654265113 /nfs/dbraw/zinc/26/51/13/654265113.db2.gz ZEVWXYAOVXMIMU-IAQYHMDHSA-N 1 0 387.299 2.154 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000903591172 654265272 /nfs/dbraw/zinc/26/52/72/654265272.db2.gz IXMYRJOIVOVPID-UHFFFAOYSA-N 1 0 383.283 2.215 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CCCCCC[NH3+])c1OC ZINC000871822089 654266080 /nfs/dbraw/zinc/26/60/80/654266080.db2.gz BUJJHIUXWCFFHK-UHFFFAOYSA-N 1 0 392.905 2.275 20 0 GEADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000921426792 654266298 /nfs/dbraw/zinc/26/62/98/654266298.db2.gz MEEYTOJULIEVKM-CQSZACIVSA-N 1 0 398.349 2.412 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000921436702 654267031 /nfs/dbraw/zinc/26/70/31/654267031.db2.gz ZYTKDJHECSCZHC-RISCZKNCSA-N 1 0 394.317 2.400 20 0 GEADRO Cn1ncc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1Br ZINC000852906379 654267397 /nfs/dbraw/zinc/26/73/97/654267397.db2.gz CHTGRSSNVGCRHE-TZMCWYRMSA-N 1 0 381.249 2.197 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000852909314 654267937 /nfs/dbraw/zinc/26/79/37/654267937.db2.gz QXTBPPFPTUXANH-CYBMUJFWSA-N 1 0 379.258 2.404 20 0 GEADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000803219150 654268091 /nfs/dbraw/zinc/26/80/91/654268091.db2.gz BVIQXTSSEHJOOB-GJZGRUSLSA-N 1 0 383.583 2.334 20 0 GEADRO O=C(N1CCn2ncc(Br)c2C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000852916462 654268374 /nfs/dbraw/zinc/26/83/74/654268374.db2.gz JMYJCNSWJJOOIH-UHFFFAOYSA-N 1 0 389.297 2.309 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cnc1Cl ZINC000921480276 654272497 /nfs/dbraw/zinc/27/24/97/654272497.db2.gz DNWJTRMXEACKFD-CQSZACIVSA-N 1 0 384.889 2.110 20 0 GEADRO Fc1ccc([C@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)cc1 ZINC000921482775 654272824 /nfs/dbraw/zinc/27/28/24/654272824.db2.gz VLJLKTGHKAXYAV-AWEZNQCLSA-N 1 0 383.265 2.474 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1c(Cl)nc2sccn21)c1cccnc1 ZINC000921482258 654272943 /nfs/dbraw/zinc/27/29/43/654272943.db2.gz HEOPHZUCBQYSLN-GFCCVEGCSA-N 1 0 399.929 2.416 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000921487774 654274042 /nfs/dbraw/zinc/27/40/42/654274042.db2.gz WREGYMGXOZWTTB-QGZVFWFLSA-N 1 0 395.345 2.417 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc(Br)c1 ZINC000871920194 654277678 /nfs/dbraw/zinc/27/76/78/654277678.db2.gz DHMYIUUWHUSHGF-GJZGRUSLSA-N 1 0 383.286 2.151 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cccn3c(I)cnc23)CC1 ZINC000832587265 654279083 /nfs/dbraw/zinc/27/90/83/654279083.db2.gz RPZURDCNXMNADU-SNVBAGLBSA-N 1 0 398.248 2.138 20 0 GEADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccccn2)CCN1c1cccc(Br)c1 ZINC000853102921 654279103 /nfs/dbraw/zinc/27/91/03/654279103.db2.gz IAXOEPGHQJXVSW-CVEARBPZSA-N 1 0 376.254 2.273 20 0 GEADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccccn2)CCN1c1cccc(Br)c1 ZINC000853102925 654279161 /nfs/dbraw/zinc/27/91/61/654279161.db2.gz IAXOEPGHQJXVSW-HZPDHXFCSA-N 1 0 376.254 2.273 20 0 GEADRO C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903719967 654281323 /nfs/dbraw/zinc/28/13/23/654281323.db2.gz AZSQPRVFLWMRKZ-UFGOTCBOSA-N 1 0 377.794 2.207 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000903781183 654283230 /nfs/dbraw/zinc/28/32/30/654283230.db2.gz NHNSPDBDWZBHBW-LBPRGKRZSA-N 1 0 388.331 2.070 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCCN2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000903795296 654283885 /nfs/dbraw/zinc/28/38/85/654283885.db2.gz JZVDXCTUADEXRZ-XJKSGUPXSA-N 1 0 387.343 2.426 20 0 GEADRO CN(CCC(=O)Nc1ccc(Br)cc1F)C1(C[NH3+])CCOCC1 ZINC000903807639 654284052 /nfs/dbraw/zinc/28/40/52/654284052.db2.gz MXPYFCXVSADAIF-UHFFFAOYSA-N 1 0 388.281 2.357 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000903830731 654284733 /nfs/dbraw/zinc/28/47/33/654284733.db2.gz JFEMHZXIRAOGOU-AWEZNQCLSA-N 1 0 381.274 2.309 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000903836230 654285043 /nfs/dbraw/zinc/28/50/43/654285043.db2.gz HMUJYNRPGDNJAR-JTQLQIEISA-N 1 0 387.303 2.371 20 0 GEADRO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)C[C@H](O)c1ccccc1Br ZINC000832680798 654287174 /nfs/dbraw/zinc/28/71/74/654287174.db2.gz WKSKLXFSKODFFD-WFASDCNBSA-N 1 0 376.316 2.239 20 0 GEADRO COCCC1(NC(=O)NCc2csc(Br)c2)CC[NH2+]CC1 ZINC000891372662 654290172 /nfs/dbraw/zinc/29/01/72/654290172.db2.gz YIOZMJVFDLWRQR-UHFFFAOYSA-N 1 0 376.320 2.469 20 0 GEADRO Fc1cccc([C@@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)c1 ZINC000921603658 654291094 /nfs/dbraw/zinc/29/10/94/654291094.db2.gz JNZHOSBMVWFRCX-CQSZACIVSA-N 1 0 383.265 2.474 20 0 GEADRO CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H](CO)c1cccc(Br)c1 ZINC000903897667 654291126 /nfs/dbraw/zinc/29/11/26/654291126.db2.gz IGPXBCFVOZIQDT-NVXWUHKLSA-N 1 0 394.317 2.131 20 0 GEADRO O=C(CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1ccc(Br)cc1 ZINC000891404224 654291435 /nfs/dbraw/zinc/29/14/35/654291435.db2.gz IGLJGRXFIIZMTG-CABCVRRESA-N 1 0 395.301 2.314 20 0 GEADRO CC(C)c1ccc(S(=O)(=O)N2CCN(C[C@H]([NH3+])CC(F)F)CC2)cc1 ZINC000903905629 654291508 /nfs/dbraw/zinc/29/15/08/654291508.db2.gz KFUMQMMDNASMPA-OAHLLOKOSA-N 1 0 375.485 2.099 20 0 GEADRO O=C(CCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2)Nc1ccc(Br)cc1 ZINC000891405679 654291723 /nfs/dbraw/zinc/29/17/23/654291723.db2.gz YUURUHSONXMBDQ-PBHICJAKSA-N 1 0 395.301 2.362 20 0 GEADRO COC[C@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000903937226 654292493 /nfs/dbraw/zinc/29/24/93/654292493.db2.gz FJVDAQHWAFUGHD-RDJZCZTQSA-N 1 0 394.317 2.442 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000853330224 654292669 /nfs/dbraw/zinc/29/26/69/654292669.db2.gz WLURKUKDZJVANE-VIFPVBQESA-N 1 0 379.766 2.374 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000891424832 654293012 /nfs/dbraw/zinc/29/30/12/654293012.db2.gz BMQUGELVUFYKIF-KCQAQPDRSA-N 1 0 381.318 2.312 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000891425890 654293034 /nfs/dbraw/zinc/29/30/34/654293034.db2.gz OGONRUQGQYSQJC-VNHYZAJKSA-N 1 0 381.318 2.407 20 0 GEADRO Nc1cc[nH+]c(CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)c1 ZINC000891446838 654293951 /nfs/dbraw/zinc/29/39/51/654293951.db2.gz QZMDYBCQISWELU-UHFFFAOYSA-N 1 0 393.241 2.197 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C1 ZINC000832764986 654293944 /nfs/dbraw/zinc/29/39/44/654293944.db2.gz SWNDHMWUQRUHIJ-AWEZNQCLSA-N 1 0 387.933 2.145 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891465245 654295042 /nfs/dbraw/zinc/29/50/42/654295042.db2.gz ROTBZXWOVXIKKU-OKILXGFUSA-N 1 0 395.301 2.232 20 0 GEADRO O=C(NCc1cc(Br)ccc1OC(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891471576 654295577 /nfs/dbraw/zinc/29/55/77/654295577.db2.gz JBTUUNNEEXPTKI-QWRGUYRKSA-N 1 0 376.201 2.306 20 0 GEADRO Cn1nc2c(c1C[NH2+]CCC(=O)Nc1ccc(Br)cc1)COCC2 ZINC000921646132 654298288 /nfs/dbraw/zinc/29/82/88/654298288.db2.gz DWNJOQJVDLIDNK-UHFFFAOYSA-N 1 0 393.285 2.374 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)[C@H](C)C1 ZINC000853485997 654298479 /nfs/dbraw/zinc/29/84/79/654298479.db2.gz OYGYMGLPRKVHPH-BDAKNGLRSA-N 1 0 388.697 2.265 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(CSc3ccc(Cl)cc3)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904081195 654300873 /nfs/dbraw/zinc/30/08/73/654300873.db2.gz ALCPEOIKOXKBCI-LEWSCRJBSA-N 1 0 399.925 2.190 20 0 GEADRO Brc1cncc(-c2noc(-c3ccnc(N4CC[NH2+]CC4)c3)n2)c1 ZINC000904085018 654300887 /nfs/dbraw/zinc/30/08/87/654300887.db2.gz NWGMOOGZHNUVTN-UHFFFAOYSA-N 1 0 387.241 2.366 20 0 GEADRO CCS(=O)(=O)CC[NH2+]Cc1cc(C)c(I)cc1C ZINC000921667604 654302299 /nfs/dbraw/zinc/30/22/99/654302299.db2.gz QZJMTMWIBNDNHJ-UHFFFAOYSA-N 1 0 381.279 2.432 20 0 GEADRO CN(CC1C[NH+](C)C1)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000853555073 654303349 /nfs/dbraw/zinc/30/33/49/654303349.db2.gz GOLVSEFAPGXUBJ-QGZVFWFLSA-N 1 0 385.295 2.211 20 0 GEADRO COCCC1(NC(=O)NCCc2nc(C(F)(F)F)cs2)CC[NH2+]CC1 ZINC000891618842 654303628 /nfs/dbraw/zinc/30/36/28/654303628.db2.gz SORVTINLGUJACU-UHFFFAOYSA-N 1 0 380.436 2.162 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(I)cc1C ZINC000904274453 654307000 /nfs/dbraw/zinc/30/70/00/654307000.db2.gz MFJCTJRDOPRYRE-LBPRGKRZSA-N 1 0 389.237 2.052 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000904299613 654307382 /nfs/dbraw/zinc/30/73/82/654307382.db2.gz 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ZINC000904520137 654313065 /nfs/dbraw/zinc/31/30/65/654313065.db2.gz FNPZRAVDTJVNEA-JTQLQIEISA-N 1 0 384.893 2.039 20 0 GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000904539079 654313510 /nfs/dbraw/zinc/31/35/10/654313510.db2.gz KQDRWKSXZLATLX-FVMDXXJSSA-N 1 0 395.257 2.044 20 0 GEADRO CC[NH+]1CCN(CC(=O)NCC2(c3ccc(Br)cc3)CC2)CC1 ZINC000834313634 654315084 /nfs/dbraw/zinc/31/50/84/654315084.db2.gz SADRABSGVXYMBY-UHFFFAOYSA-N 1 0 380.330 2.234 20 0 GEADRO Fc1ccc(Cc2noc([C@]34C[NH2+]C[C@H]3CCOC4)n2)cc1Br ZINC000904666257 654315255 /nfs/dbraw/zinc/31/52/55/654315255.db2.gz QPRIFBDIJWRBHN-BZNIZROVSA-N 1 0 382.233 2.440 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNc3ccc(Br)nn3)cn2)CC1 ZINC000891862092 654315808 /nfs/dbraw/zinc/31/58/08/654315808.db2.gz KXZXOCGNFJHNEF-UHFFFAOYSA-N 1 0 377.290 2.388 20 0 GEADRO C[NH+](C)C[C@H](N)c1nc(C2(c3cccc(Br)c3)CCOCC2)no1 ZINC000872180452 654316158 /nfs/dbraw/zinc/31/61/58/654316158.db2.gz RPIONMYWIHKGJO-AWEZNQCLSA-N 1 0 395.301 2.490 20 0 GEADRO 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398.345 2.417 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)c1csc(I)n1 ZINC000854277505 654347303 /nfs/dbraw/zinc/34/73/03/654347303.db2.gz DNCKCVCNECYPNB-UHFFFAOYSA-N 1 0 379.267 2.354 20 0 GEADRO CC1([NH+]2CCC2)CCC(NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1 ZINC000834780107 654347849 /nfs/dbraw/zinc/34/78/49/654347849.db2.gz FOFYUXRYFUUXQN-UHFFFAOYSA-N 1 0 385.917 2.275 20 0 GEADRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892511830 654349168 /nfs/dbraw/zinc/34/91/68/654349168.db2.gz KDXDGQNRGPATJU-HDMKZQKVSA-N 1 0 386.945 2.126 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000834809127 654349580 /nfs/dbraw/zinc/34/95/80/654349580.db2.gz DABGPOITYQXQQX-GFCCVEGCSA-N 1 0 375.922 2.228 20 0 GEADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC[S@](=O)CC(F)(F)F ZINC000854307196 654349771 /nfs/dbraw/zinc/34/97/71/654349771.db2.gz LKHPGCCXRYWTFA-VWLOTQADSA-N 1 0 379.448 2.071 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872476586 654349750 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GEADRO Cn1cc(C(=O)NCc2ccccc2C[NH+](C)C)c(I)n1 ZINC000905336171 654351509 /nfs/dbraw/zinc/35/15/09/654351509.db2.gz VWZMZPSRZCDWIV-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cccc(Br)n3)C2)CC1 ZINC000872483522 654352162 /nfs/dbraw/zinc/35/21/62/654352162.db2.gz DRDXINXKYKPNEE-UHFFFAOYSA-N 1 0 388.331 2.341 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000905357349 654353047 /nfs/dbraw/zinc/35/30/47/654353047.db2.gz JLKQFVSBEGOFDM-ABAIWWIYSA-N 1 0 376.906 2.173 20 0 GEADRO CCNC(=O)COc1ccc(C[NH2+]C[C@H]2C[C@@]2(C)Br)cc1OC ZINC000892595176 654353126 /nfs/dbraw/zinc/35/31/26/654353126.db2.gz RQDBFBSESCZAIC-CXAGYDPISA-N 1 0 385.302 2.473 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000834845978 654353037 /nfs/dbraw/zinc/35/30/37/654353037.db2.gz LBQZSOYXTKRKJN-GFCCVEGCSA-N 1 0 386.196 2.430 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834850851 654353318 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CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC[C@H]2CC2(Cl)Cl)CCC1 ZINC000905386269 654354974 /nfs/dbraw/zinc/35/49/74/654354974.db2.gz OZJJDHRBZTVPNO-NWDGAFQWSA-N 1 0 387.373 2.161 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905384530 654355010 /nfs/dbraw/zinc/35/50/10/654355010.db2.gz LRXNTPJECNIFHO-JKSUJKDBSA-N 1 0 381.270 2.427 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834905012 654355489 /nfs/dbraw/zinc/35/54/89/654355489.db2.gz DUESSFPPBLFCOH-NUTKFTJISA-N 1 0 386.539 2.109 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)Cc1ccoc1 ZINC000905418297 654355812 /nfs/dbraw/zinc/35/58/12/654355812.db2.gz KXIQTXWJCUCMGJ-ZBFHGGJFSA-N 1 0 384.270 2.223 20 0 GEADRO CCC[C@@H](C)CC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000905423341 654356318 /nfs/dbraw/zinc/35/63/18/654356318.db2.gz PDZXGYULXZCIOE-OAHLLOKOSA-N 1 0 390.571 2.127 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000905429576 654356817 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GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CC2)CCO1 ZINC000892698414 654359915 /nfs/dbraw/zinc/35/99/15/654359915.db2.gz GOJJMXLHQXPUOU-WFASDCNBSA-N 1 0 382.302 2.238 20 0 GEADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000905477600 654359904 /nfs/dbraw/zinc/35/99/04/654359904.db2.gz DMLKNKXSJVNKHN-DYVFJYSZSA-N 1 0 398.301 2.137 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)s2)[C@H]1OC ZINC000892706141 654360307 /nfs/dbraw/zinc/36/03/07/654360307.db2.gz YILOMAVWXHZHLG-SQWLQELKSA-N 1 0 376.544 2.061 20 0 GEADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000835067332 654360677 /nfs/dbraw/zinc/36/06/77/654360677.db2.gz OTWZJTCWUJAYTG-SNVBAGLBSA-N 1 0 379.288 2.452 20 0 GEADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000854433680 654360643 /nfs/dbraw/zinc/36/06/43/654360643.db2.gz KRCVIHKITNTOPN-CYBMUJFWSA-N 1 0 378.344 2.409 20 0 GEADRO CCC(C)(C)OCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000835081667 654361035 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COC(=O)/C(C)=C/C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000905530198 654364158 /nfs/dbraw/zinc/36/41/58/654364158.db2.gz DSGVAJQQIFDRLF-NUQDLXRASA-N 1 0 376.222 2.037 20 0 GEADRO CC(C)(C)n1cc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c(=O)[nH]c1=O ZINC000905531334 654364346 /nfs/dbraw/zinc/36/43/46/654364346.db2.gz XOVGLHQNIBQIIP-AWEZNQCLSA-N 1 0 396.285 2.290 20 0 GEADRO OC1(CCNC(=S)NCC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000905546617 654365066 /nfs/dbraw/zinc/36/50/66/654365066.db2.gz YRUBFWFMFSLWDP-UHFFFAOYSA-N 1 0 375.460 2.430 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCc2cc(Cl)cc(Br)c2)CCO1 ZINC000892840398 654365711 /nfs/dbraw/zinc/36/57/11/654365711.db2.gz MGZYZAJDILOISS-YGRLFVJLSA-N 1 0 390.709 2.403 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000905557395 654365987 /nfs/dbraw/zinc/36/59/87/654365987.db2.gz VGWUILULAIUNIZ-YUELXQCFSA-N 1 0 381.416 2.213 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000835151954 654366144 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O[C@H](C[NH2+]CC1(n2cc(Br)cn2)CC1)COCc1ccccc1F ZINC000905588758 654368794 /nfs/dbraw/zinc/36/87/94/654368794.db2.gz YLZKHXUFAYZWKD-OAHLLOKOSA-N 1 0 398.276 2.441 20 0 GEADRO Cn1nc(Br)cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000854588633 654368968 /nfs/dbraw/zinc/36/89/68/654368968.db2.gz HKWHFJJQVXACRO-UHFFFAOYSA-N 1 0 392.301 2.182 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)c1ccc(F)c(Br)c1 ZINC000905616936 654370073 /nfs/dbraw/zinc/37/00/73/654370073.db2.gz AUCBBTRTUJRRFG-WMLDXEAASA-N 1 0 387.293 2.465 20 0 GEADRO Cc1cc(C)c(C(=O)NCC[N@@H+](C)CCOCCO)c(C)c1Br ZINC000922130041 654370737 /nfs/dbraw/zinc/37/07/37/654370737.db2.gz YWVOFNLMWNGKLR-UHFFFAOYSA-N 1 0 387.318 2.045 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(Br)cn(C2CC2)c1=O ZINC000905633657 654371298 /nfs/dbraw/zinc/37/12/98/654371298.db2.gz NAXWHMOGIBWONZ-UHFFFAOYSA-N 1 0 380.286 2.302 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]Cc2cn3ccnc3s2)CC1)C(F)(F)F ZINC000892947336 654371467 /nfs/dbraw/zinc/37/14/67/654371467.db2.gz DFIMFQDPVRHOAP-UHFFFAOYSA-N 1 0 382.433 2.047 20 0 GEADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)COc3cccc(Br)c3)[C@@H]2C1 ZINC000905654517 654371949 /nfs/dbraw/zinc/37/19/49/654371949.db2.gz POWRMJDPZYUZPH-POOJBGORSA-N 1 0 398.297 2.366 20 0 GEADRO COCCOC[C@H](O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000905662862 654372756 /nfs/dbraw/zinc/37/27/56/654372756.db2.gz KVGDKLCHDCLFQQ-LLVKDONJSA-N 1 0 397.107 2.325 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000905669179 654373064 /nfs/dbraw/zinc/37/30/64/654373064.db2.gz YLMKLUZVJCTBQJ-ARFHVFGLSA-N 1 0 385.551 2.422 20 0 GEADRO Cn1cc(I)c(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)n1 ZINC000922163002 654373316 /nfs/dbraw/zinc/37/33/16/654373316.db2.gz XUWXGQBJKLOJJS-SDDRHHMPSA-N 1 0 375.254 2.320 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000854655790 654373568 /nfs/dbraw/zinc/37/35/68/654373568.db2.gz UKXRVYWZTNORIH-JQWIXIFHSA-N 1 0 398.248 2.104 20 0 GEADRO NS(=O)(=O)c1ccc(CCC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000905686016 654374122 /nfs/dbraw/zinc/37/41/22/654374122.db2.gz HAYSERRGVYBFND-QGZVFWFLSA-N 1 0 382.913 2.113 20 0 GEADRO Cn1nnc(Br)c1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000854676805 654374611 /nfs/dbraw/zinc/37/46/11/654374611.db2.gz CWHAARAWSWUKNA-UHFFFAOYSA-N 1 0 384.322 2.304 20 0 GEADRO CNC(=O)[C@H](C[NH2+]Cc1nc(Br)c[nH]1)Cc1ccc(F)cc1C ZINC000922206239 654375846 /nfs/dbraw/zinc/37/58/46/654375846.db2.gz BVHZBGMLGWRQIZ-LBPRGKRZSA-N 1 0 383.265 2.314 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CCc1ccccc1Br)C2=O ZINC000905733212 654377464 /nfs/dbraw/zinc/37/74/64/654377464.db2.gz BZECSSOGDXSVNL-CXAGYDPISA-N 1 0 380.286 2.431 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000835305766 654379027 /nfs/dbraw/zinc/37/90/27/654379027.db2.gz CUNOPLGBVGNCDT-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C[NH+](C)C)C2)c1 ZINC000854724353 654379547 /nfs/dbraw/zinc/37/95/47/654379547.db2.gz PXNUABUATOOHIE-UHFFFAOYSA-N 1 0 387.933 2.004 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000893079389 654380783 /nfs/dbraw/zinc/38/07/83/654380783.db2.gz XARDIEJCJSBREU-IAGOWNOFSA-N 1 0 396.329 2.232 20 0 GEADRO [O-]c1cc(Br)cnc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000893114902 654383219 /nfs/dbraw/zinc/38/32/19/654383219.db2.gz YCGOCJJESFAWLI-HOTGVXAUSA-N 1 0 384.318 2.407 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)Cn1ncn(CC(F)(F)F)c1=S ZINC000872632164 654383552 /nfs/dbraw/zinc/38/35/52/654383552.db2.gz SKULECAFTPLGGG-UHFFFAOYSA-N 1 0 381.468 2.224 20 0 GEADRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)O2)CO1 ZINC000905841179 654384086 /nfs/dbraw/zinc/38/40/86/654384086.db2.gz AAPBDGIEGDYURI-BNGXUDDSSA-N 1 0 383.286 2.292 20 0 GEADRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+][C@H](C(N)=O)c3ccc(Br)cc3)O2)CO1 ZINC000905841183 654384101 /nfs/dbraw/zinc/38/41/01/654384101.db2.gz AAPBDGIEGDYURI-FIUQPQMISA-N 1 0 383.286 2.292 20 0 GEADRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)O2)CO1 ZINC000905841186 654384158 /nfs/dbraw/zinc/38/41/58/654384158.db2.gz AAPBDGIEGDYURI-HVDRQEDPSA-N 1 0 383.286 2.292 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(=O)NC(=O)NC1CC1 ZINC000905858542 654385457 /nfs/dbraw/zinc/38/54/57/654385457.db2.gz ZCCQILXEUJDPKE-TVQRCGJNSA-N 1 0 382.258 2.239 20 0 GEADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1csc(I)n1 ZINC000854853986 654386068 /nfs/dbraw/zinc/38/60/68/654386068.db2.gz LDMYSIUWXWGSBA-UHFFFAOYSA-N 1 0 391.278 2.494 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000872662108 654386843 /nfs/dbraw/zinc/38/68/43/654386843.db2.gz BQWXHKDKBGRFPV-KBPBESRZSA-N 1 0 389.315 2.315 20 0 GEADRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000893223331 654390407 /nfs/dbraw/zinc/39/04/07/654390407.db2.gz FWSZHRHLCCORCQ-LBPRGKRZSA-N 1 0 389.543 2.466 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000872723398 654393441 /nfs/dbraw/zinc/39/34/41/654393441.db2.gz LBJADWZDCCFMPG-JSGCOSHPSA-N 1 0 377.286 2.143 20 0 GEADRO C[C@H](Sc1nc(CC(=O)OCC23CCC[NH+](CCC2)C3)cs1)C(N)=O ZINC000893262183 654394504 /nfs/dbraw/zinc/39/45/04/654394504.db2.gz JSRRYIBIKNHTEO-LBPRGKRZSA-N 1 0 383.539 2.071 20 0 GEADRO CN1C[C@H](CC[NH2+]Cc2ccc(F)cc2I)CC1=O ZINC000922485129 654396695 /nfs/dbraw/zinc/39/66/95/654396695.db2.gz VJBZKXNJOZGSNP-SNVBAGLBSA-N 1 0 376.213 2.388 20 0 GEADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000922483961 654396706 /nfs/dbraw/zinc/39/67/06/654396706.db2.gz GESRNNNGOSXLGL-INIZCTEOSA-N 1 0 381.523 2.204 20 0 GEADRO C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000893380534 654399105 /nfs/dbraw/zinc/39/91/05/654399105.db2.gz RXYZOBJEWXXLDA-JQWIXIFHSA-N 1 0 399.314 2.147 20 0 GEADRO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000893380535 654399233 /nfs/dbraw/zinc/39/92/33/654399233.db2.gz RXYZOBJEWXXLDA-PWSUYJOCSA-N 1 0 399.314 2.147 20 0 GEADRO Cn1cc(C[NH2+][C@@H](CO)CCc2ccccc2)c(I)n1 ZINC000922545912 654400847 /nfs/dbraw/zinc/40/08/47/654400847.db2.gz KUJAOPJBEIBFJH-CQSZACIVSA-N 1 0 385.249 2.108 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000872903197 654404343 /nfs/dbraw/zinc/40/43/43/654404343.db2.gz LMSMAXDNVUSGNY-NSHDSACASA-N 1 0 380.798 2.274 20 0 GEADRO Cc1nc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)sc1Br ZINC000922620707 654404584 /nfs/dbraw/zinc/40/45/84/654404584.db2.gz WVLXUQMCUIYJJL-UHFFFAOYSA-N 1 0 377.304 2.352 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCS2(=O)=O)C[C@@H]1C(F)(F)F ZINC000893515836 654404949 /nfs/dbraw/zinc/40/49/49/654404949.db2.gz WVOUUHFDVORPBU-DGAVXFQQSA-N 1 0 385.448 2.454 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000893515232 654404975 /nfs/dbraw/zinc/40/49/75/654404975.db2.gz QORIOPBKNYLBJH-AWEZNQCLSA-N 1 0 389.315 2.464 20 0 GEADRO CC(C)(CNS(C)(=O)=O)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000922637368 654405520 /nfs/dbraw/zinc/40/55/20/654405520.db2.gz AOPWSKIMPSTYHL-UHFFFAOYSA-N 1 0 389.315 2.142 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000855274529 654407639 /nfs/dbraw/zinc/40/76/39/654407639.db2.gz LQCWVDJRTNZYDD-ODCWNRFASA-N 1 0 376.444 2.326 20 0 GEADRO Cc1ccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1Br ZINC000893551876 654407926 /nfs/dbraw/zinc/40/79/26/654407926.db2.gz YJYHSVAVNDJMIT-UHFFFAOYSA-N 1 0 394.317 2.244 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2ccc(Br)c(F)c2)cn1 ZINC000893551055 654408119 /nfs/dbraw/zinc/40/81/19/654408119.db2.gz RCTUDNUTELDIGI-UHFFFAOYSA-N 1 0 398.280 2.075 20 0 GEADRO C[NH+](C)CCOc1ccc(NS(=O)(=O)N=S2(=O)CCCC2)cc1Cl ZINC000906057056 654410573 /nfs/dbraw/zinc/41/05/73/654410573.db2.gz FRWSLCXFPZAZJI-UHFFFAOYSA-N 1 0 395.934 2.199 20 0 GEADRO O[C@@H](C[NH2+]Cc1cccc(F)c1I)C1CCOCC1 ZINC000873055240 654412070 /nfs/dbraw/zinc/41/20/70/654412070.db2.gz FTRMWNLXPSLLPC-ZDUSSCGKSA-N 1 0 379.213 2.307 20 0 GEADRO Brc1ccccc1-n1cc(C[NH2+]CC2CC3(C2)OCCO3)nn1 ZINC000922799393 654414059 /nfs/dbraw/zinc/41/40/59/654414059.db2.gz VSHRABSNKUYHAH-UHFFFAOYSA-N 1 0 379.258 2.273 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@]1(C)CCCCO1 ZINC000922816968 654414888 /nfs/dbraw/zinc/41/48/88/654414888.db2.gz LTSWZCDOLLUSJG-XJKSGUPXSA-N 1 0 375.922 2.253 20 0 GEADRO CCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000855361974 654415010 /nfs/dbraw/zinc/41/50/10/654415010.db2.gz XNMLWJWKRIZOND-CQSZACIVSA-N 1 0 385.917 2.046 20 0 GEADRO CSc1c(F)cccc1NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873106187 654415670 /nfs/dbraw/zinc/41/56/70/654415670.db2.gz FXBZJEQBGHQCBK-DTWKUNHWSA-N 1 0 379.379 2.082 20 0 GEADRO CSc1ccc(C)c(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873107225 654415685 /nfs/dbraw/zinc/41/56/85/654415685.db2.gz MPEAZELQOMXLPZ-PWSUYJOCSA-N 1 0 375.416 2.251 20 0 GEADRO CCc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000873108651 654416006 /nfs/dbraw/zinc/41/60/06/654416006.db2.gz ZNMGCUTXUHEAKC-ZYHUDNBSSA-N 1 0 377.794 2.437 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)CCCCCC[NH3+])ccc1Br ZINC000873110525 654416359 /nfs/dbraw/zinc/41/63/59/654416359.db2.gz SOCPFCGGAVGINX-UHFFFAOYSA-N 1 0 386.290 2.374 20 0 GEADRO COC(=O)c1cn(CC[NH2+]Cc2c(Br)c3ccccc3n2C)nn1 ZINC000873125309 654416771 /nfs/dbraw/zinc/41/67/71/654416771.db2.gz YXMCIIUGPIACRS-UHFFFAOYSA-N 1 0 392.257 2.109 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Br)n1 ZINC000855404874 654417086 /nfs/dbraw/zinc/41/70/86/654417086.db2.gz XTFULSJDYIEBTC-HNNXBMFYSA-N 1 0 390.281 2.341 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1Cl ZINC000873177756 654421165 /nfs/dbraw/zinc/42/11/65/654421165.db2.gz DSPNLMKENYPOAT-AWEZNQCLSA-N 1 0 389.304 2.334 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](O)c2ccnn2C)cc1OC ZINC000922976442 654422811 /nfs/dbraw/zinc/42/28/11/654422811.db2.gz KYUJEDWKTINYJP-CQSZACIVSA-N 1 0 384.274 2.413 20 0 GEADRO Cn1nnc2c1C[C@H]([NH2+]Cc1cnn(-c3ccc(Br)cc3)c1)CC2 ZINC000922992198 654423315 /nfs/dbraw/zinc/42/33/15/654423315.db2.gz AVCBTKVBQYLMIS-CQSZACIVSA-N 1 0 387.285 2.410 20 0 GEADRO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1c(I)cnn1C ZINC000873276321 654423587 /nfs/dbraw/zinc/42/35/87/654423587.db2.gz OOTCFURDTNPKQJ-SECBINFHSA-N 1 0 385.253 2.038 20 0 GEADRO CNC(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000873302244 654424126 /nfs/dbraw/zinc/42/41/26/654424126.db2.gz CEYMKLSOMRVMDS-LDYMZIIASA-N 1 0 378.782 2.301 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873318140 654424406 /nfs/dbraw/zinc/42/44/06/654424406.db2.gz IRRKRWCTWOMXCI-CZUORRHYSA-N 1 0 391.273 2.436 20 0 GEADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1Br ZINC000873315347 654424448 /nfs/dbraw/zinc/42/44/48/654424448.db2.gz PWXJSVPWYMMSLZ-MGPLVRAMSA-N 1 0 382.258 2.309 20 0 GEADRO CS(=O)(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1Cl ZINC000873321055 654424493 /nfs/dbraw/zinc/42/44/93/654424493.db2.gz FWNXSVPQDARNDZ-SCZZXKLOSA-N 1 0 399.822 2.344 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2nscc2I)C1 ZINC000906432834 654436692 /nfs/dbraw/zinc/43/66/92/654436692.db2.gz BOHCZRPIRJOCPL-VIFPVBQESA-N 1 0 379.267 2.208 20 0 GEADRO COC(=O)[C@H]1[C@H](C[NH+]2CCC(n3cc(Br)cn3)CC2)C1(F)F ZINC000894020464 654439886 /nfs/dbraw/zinc/43/98/86/654439886.db2.gz NSHJXVBCUDZBIP-NWDGAFQWSA-N 1 0 378.217 2.337 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2cn(C)nc2I)C[C@H]1C ZINC000894044395 654442271 /nfs/dbraw/zinc/44/22/71/654442271.db2.gz KAKSXNOKQYZPCJ-YPMHNXCESA-N 1 0 376.286 2.329 20 0 GEADRO Cn1ncc(I)c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000894055022 654442938 /nfs/dbraw/zinc/44/29/38/654442938.db2.gz UMRWTRVPBFBFJT-ZDUSSCGKSA-N 1 0 388.297 2.333 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cn(C)nc2I)C1 ZINC000894062867 654443370 /nfs/dbraw/zinc/44/33/70/654443370.db2.gz FKGWTFZPNZRUSY-LBPRGKRZSA-N 1 0 376.286 2.188 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894074480 654444496 /nfs/dbraw/zinc/44/44/96/654444496.db2.gz QGQGPUFLUIHBBQ-JQWIXIFHSA-N 1 0 399.456 2.022 20 0 GEADRO CS(=O)(=O)C1CC([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000894072415 654444618 /nfs/dbraw/zinc/44/46/18/654444618.db2.gz VAOHPMCAXPPKLE-UHFFFAOYSA-N 1 0 384.299 2.300 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000873663401 654445576 /nfs/dbraw/zinc/44/55/76/654445576.db2.gz FTWOCLPPSMYCIJ-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367372 654446954 /nfs/dbraw/zinc/44/69/54/654446954.db2.gz UJWPHEOGKOEUMO-WBVHZDCISA-N 1 0 387.293 2.403 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(F)(F)c1ncccc1Br ZINC000906571151 654449440 /nfs/dbraw/zinc/44/94/40/654449440.db2.gz BVOFTYMOMOWEGA-LLVKDONJSA-N 1 0 392.244 2.163 20 0 GEADRO Cn1cc(C[NH2+]C[C@H]2COc3ccccc3C2)c(I)n1 ZINC000894137136 654449759 /nfs/dbraw/zinc/44/97/59/654449759.db2.gz MDOBHZNXSNPDLE-NSHDSACASA-N 1 0 383.233 2.366 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000873693067 654449723 /nfs/dbraw/zinc/44/97/23/654449723.db2.gz JKGWMKMVTJGIJC-LBPRGKRZSA-N 1 0 398.301 2.243 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923400014 654449860 /nfs/dbraw/zinc/44/98/60/654449860.db2.gz ULVPJMIRLNLQHA-GOEBONIOSA-N 1 0 375.282 2.258 20 0 GEADRO CC1CC[NH+](CCCNCc2cn(C)nc2I)CC1 ZINC000894153067 654450648 /nfs/dbraw/zinc/45/06/48/654450648.db2.gz UNPUPQIZEFGAOI-UHFFFAOYSA-N 1 0 376.286 2.236 20 0 GEADRO OCC[NH2+][C@@H]1CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000923406828 654450733 /nfs/dbraw/zinc/45/07/33/654450733.db2.gz OXWKWCNOYYSZLL-MRXNPFEDSA-N 1 0 391.313 2.452 20 0 GEADRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1sc(N3CCOCC3)nc1Cl)C2 ZINC000894170334 654452280 /nfs/dbraw/zinc/45/22/80/654452280.db2.gz QVWWGRMOWRBTAI-ZDUSSCGKSA-N 1 0 379.917 2.379 20 0 GEADRO C[C@@H](CNCc1cn(C)nc1I)[N@@H+]1CCCC[C@@H]1C ZINC000894175786 654453318 /nfs/dbraw/zinc/45/33/18/654453318.db2.gz LVGPQEMPGMTXJO-RYUDHWBXSA-N 1 0 376.286 2.377 20 0 GEADRO C[C@H](CNCc1cn(C)nc1I)[N@@H+]1CCCC[C@H]1C ZINC000894175788 654453348 /nfs/dbraw/zinc/45/33/48/654453348.db2.gz LVGPQEMPGMTXJO-VXGBXAGGSA-N 1 0 376.286 2.377 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000873717491 654453871 /nfs/dbraw/zinc/45/38/71/654453871.db2.gz JGWNQWGGNNSMKE-UHFFFAOYSA-N 1 0 384.274 2.047 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)NCC[C@@H]1CNC(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000923448875 654454062 /nfs/dbraw/zinc/45/40/62/654454062.db2.gz HPNSOFSJDCOLRW-XHDPSFHLSA-N 1 0 387.311 2.422 20 0 GEADRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccccc1Br ZINC000906622889 654454271 /nfs/dbraw/zinc/45/42/71/654454271.db2.gz XEIABKQKEQAOTL-CYBMUJFWSA-N 1 0 392.301 2.410 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)nc12 ZINC000894195685 654454813 /nfs/dbraw/zinc/45/48/13/654454813.db2.gz SVWNFXXYIRGZCT-WFASDCNBSA-N 1 0 392.301 2.251 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[C@]([NH3+])(CO)C1 ZINC000923484023 654455161 /nfs/dbraw/zinc/45/51/61/654455161.db2.gz NBCYBDGCQGXDHS-ZUZCIYMTSA-N 1 0 379.810 2.471 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923484020 654455214 /nfs/dbraw/zinc/45/52/14/654455214.db2.gz NBCYBDGCQGXDHS-BMIGLBTASA-N 1 0 379.810 2.471 20 0 GEADRO CCc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000873726353 654455396 /nfs/dbraw/zinc/45/53/96/654455396.db2.gz KORKRSRLBDJLNP-GFCCVEGCSA-N 1 0 380.286 2.303 20 0 GEADRO C[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000923497942 654457169 /nfs/dbraw/zinc/45/71/69/654457169.db2.gz NLQSJYSVCQXMHV-OLZOCXBDSA-N 1 0 375.332 2.140 20 0 GEADRO C[C@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC000923502227 654457347 /nfs/dbraw/zinc/45/73/47/654457347.db2.gz AKHUWIGTCRQONQ-STQMWFEESA-N 1 0 375.332 2.140 20 0 GEADRO CN(C(=O)c1cnnn1-c1ccccc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000906657182 654457419 /nfs/dbraw/zinc/45/74/19/654457419.db2.gz UCQWVZZOAQKPRV-CYBMUJFWSA-N 1 0 390.285 2.339 20 0 GEADRO Cc1nc(C)c(CC[NH2+]Cc2c(I)cnn2C)s1 ZINC000894252886 654459155 /nfs/dbraw/zinc/45/91/55/654459155.db2.gz RHIKCMFJVXHFJY-UHFFFAOYSA-N 1 0 376.267 2.430 20 0 GEADRO C[C@@H]([NH2+]Cc1cn(C)nc1I)[C@@H](O)c1ccc(F)cc1 ZINC000894259746 654460384 /nfs/dbraw/zinc/46/03/84/654460384.db2.gz YAUWHFLYALIYCG-NOZJJQNGSA-N 1 0 389.212 2.376 20 0 GEADRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c(I)cnn1C ZINC000894259016 654460431 /nfs/dbraw/zinc/46/04/31/654460431.db2.gz OXZQHNGOGXJWQC-SMDDNHRTSA-N 1 0 385.249 2.279 20 0 GEADRO C[C@H]([NH2+]Cc1cn(C)nc1I)[C@H](O)c1ccc(F)cc1 ZINC000894259752 654460443 /nfs/dbraw/zinc/46/04/43/654460443.db2.gz YAUWHFLYALIYCG-ZANVPECISA-N 1 0 389.212 2.376 20 0 GEADRO Cc1c(C(=O)N2CC[C@H](C[NH+](C)C)C2)nnn1-c1ccccc1Br ZINC000906693523 654461659 /nfs/dbraw/zinc/46/16/59/654461659.db2.gz OZGUSXBXVIMXAZ-CYBMUJFWSA-N 1 0 392.301 2.362 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@](C)(O)c1cccs1 ZINC000894281680 654461966 /nfs/dbraw/zinc/46/19/66/654461966.db2.gz RVPMKKORHVFHAW-LBPRGKRZSA-N 1 0 377.251 2.084 20 0 GEADRO CO[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)s1 ZINC000906697168 654462019 /nfs/dbraw/zinc/46/20/19/654462019.db2.gz LQRFMOLASAHMFA-ZDUSSCGKSA-N 1 0 391.331 2.425 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000906705789 654462814 /nfs/dbraw/zinc/46/28/14/654462814.db2.gz JJRAJYBRKOTDBZ-LBPRGKRZSA-N 1 0 375.416 2.236 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000906703585 654462948 /nfs/dbraw/zinc/46/29/48/654462948.db2.gz AOPUZUCRQZZNQK-ZDUSSCGKSA-N 1 0 391.269 2.050 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c1Br ZINC000906715948 654463911 /nfs/dbraw/zinc/46/39/11/654463911.db2.gz CVJMBTYILONYAR-UHFFFAOYSA-N 1 0 398.276 2.484 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c(Br)c1 ZINC000906715209 654463932 /nfs/dbraw/zinc/46/39/32/654463932.db2.gz LUBXKMOPKJQOLV-UHFFFAOYSA-N 1 0 396.285 2.045 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000873791800 654464806 /nfs/dbraw/zinc/46/48/06/654464806.db2.gz QMUQJXKUTJMFQA-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO CN(C)[C@@]1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCSC1 ZINC000894324589 654465061 /nfs/dbraw/zinc/46/50/61/654465061.db2.gz JDZFNSBLTINUOP-OAHLLOKOSA-N 1 0 376.979 2.160 20 0 GEADRO COC(=O)[C@@H]1[C@@H](C[NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)C1(F)F ZINC000894326256 654465578 /nfs/dbraw/zinc/46/55/78/654465578.db2.gz NWGMBGUQTZPDSW-YGRLFVJLSA-N 1 0 376.787 2.321 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)cc2)n1 ZINC000906740025 654466456 /nfs/dbraw/zinc/46/64/56/654466456.db2.gz REGCJTKLPOEVMS-AULYBMBSSA-N 1 0 376.507 2.395 20 0 GEADRO O=S(=O)(N1CCC([NH2+]Cc2cccc3c2NCCC3)CC1)C(F)(F)F ZINC000894352978 654468505 /nfs/dbraw/zinc/46/85/05/654468505.db2.gz UGRONYBIQKREIU-UHFFFAOYSA-N 1 0 377.432 2.448 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873814843 654468461 /nfs/dbraw/zinc/46/84/61/654468461.db2.gz RSVTVBHQVGWVNF-UHFFFAOYSA-N 1 0 393.285 2.346 20 0 GEADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCc1cnc(Br)cn1 ZINC000923558582 654468699 /nfs/dbraw/zinc/46/86/99/654468699.db2.gz XXXDESJWUMWLJP-LBPRGKRZSA-N 1 0 391.273 2.054 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C2 ZINC000906757929 654468723 /nfs/dbraw/zinc/46/87/23/654468723.db2.gz YMHAGVJHDPZMJD-NGZCFLSTSA-N 1 0 386.677 2.379 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906773208 654470657 /nfs/dbraw/zinc/47/06/57/654470657.db2.gz SXFRKOZCLIROAF-HNNXBMFYSA-N 1 0 386.677 2.396 20 0 GEADRO Cn1ncc(I)c1CNCc1cccc(C[NH+](C)C)c1 ZINC000894383216 654471759 /nfs/dbraw/zinc/47/17/59/654471759.db2.gz CUJIKFBWMVFXRN-UHFFFAOYSA-N 1 0 384.265 2.376 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873845424 654472225 /nfs/dbraw/zinc/47/22/25/654472225.db2.gz TXQKBEPRYOBWSW-UHFFFAOYSA-N 1 0 398.301 2.390 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2cnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000906798537 654473284 /nfs/dbraw/zinc/47/32/84/654473284.db2.gz PXPZYQAZYFKTLT-NEPJUHHUSA-N 1 0 378.274 2.242 20 0 GEADRO COCC1(CNS(=O)(=O)c2cnc(-c3ccccc3)s2)CC[NH2+]CC1 ZINC000923644667 654473359 /nfs/dbraw/zinc/47/33/59/654473359.db2.gz PITDFXHZYLXBRB-UHFFFAOYSA-N 1 0 381.523 2.105 20 0 GEADRO CCC(CC)(C[NH2+]Cc1cn(C)nc1I)C(=O)OC ZINC000894428082 654474957 /nfs/dbraw/zinc/47/49/57/654474957.db2.gz ZDYWFGMGBFNVEB-UHFFFAOYSA-N 1 0 379.242 2.094 20 0 GEADRO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCc2ccc(Br)c(F)c2C1 ZINC000923677852 654475456 /nfs/dbraw/zinc/47/54/56/654475456.db2.gz OPWOPCFSRSQQNO-NSHDSACASA-N 1 0 377.279 2.028 20 0 GEADRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cn(C)nc1I ZINC000894443780 654476432 /nfs/dbraw/zinc/47/64/32/654476432.db2.gz DVTUBOFFFWSKPF-LBPRGKRZSA-N 1 0 389.237 2.355 20 0 GEADRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cn(C)nc1I ZINC000894443779 654476487 /nfs/dbraw/zinc/47/64/87/654476487.db2.gz DVTUBOFFFWSKPF-GFCCVEGCSA-N 1 0 389.237 2.355 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(Cl)cc1F ZINC000923688117 654477317 /nfs/dbraw/zinc/47/73/17/654477317.db2.gz SXGFQYMZKFFBRR-GFCCVEGCSA-N 1 0 376.881 2.306 20 0 GEADRO O=C(NCc1cnc(Cl)s1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000923697185 654478359 /nfs/dbraw/zinc/47/83/59/654478359.db2.gz JRSRMVZCVALZJZ-AWEZNQCLSA-N 1 0 380.901 2.015 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923701224 654478968 /nfs/dbraw/zinc/47/89/68/654478968.db2.gz GDKGTFJZGUEUFE-QWRGUYRKSA-N 1 0 377.304 2.063 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923700761 654479044 /nfs/dbraw/zinc/47/90/44/654479044.db2.gz BOSRPXMSPNMKDA-CYBMUJFWSA-N 1 0 386.539 2.325 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[C@@H]1C[NH3+] ZINC000923701443 654479280 /nfs/dbraw/zinc/47/92/80/654479280.db2.gz HSJYDUIODAWCAB-NWDGAFQWSA-N 1 0 390.347 2.121 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[C@H]1C[NH3+] ZINC000923701441 654479349 /nfs/dbraw/zinc/47/93/49/654479349.db2.gz HSJYDUIODAWCAB-NEPJUHHUSA-N 1 0 390.347 2.121 20 0 GEADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(F)cc1Br ZINC000923714752 654480249 /nfs/dbraw/zinc/48/02/49/654480249.db2.gz JOHMJMBNZKBGIW-WDEREUQCSA-N 1 0 377.279 2.127 20 0 GEADRO O=S(=O)(c1cc(Br)sc1Cl)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923713873 654480333 /nfs/dbraw/zinc/48/03/33/654480333.db2.gz SPGHQYUQAVJTFO-JGVFFNPUSA-N 1 0 385.736 2.394 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CCO1 ZINC000856431011 654481279 /nfs/dbraw/zinc/48/12/79/654481279.db2.gz NUIMLIPHUJMQGS-DOTOQJQBSA-N 1 0 397.313 2.322 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C(F)(F)F ZINC000894506647 654481940 /nfs/dbraw/zinc/48/19/40/654481940.db2.gz RMZUZGWJKKFWOE-FQUUOJAGSA-N 1 0 385.448 2.311 20 0 GEADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)c2ncccc2Br)C1 ZINC000923741387 654482233 /nfs/dbraw/zinc/48/22/33/654482233.db2.gz RZJSNKAHNRVEOG-AKAXFMLLSA-N 1 0 396.310 2.182 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCCCn1cc(Br)cn1 ZINC000894517135 654482409 /nfs/dbraw/zinc/48/24/09/654482409.db2.gz FLYPZGKKLCGTDC-LSDHHAIUSA-N 1 0 384.322 2.304 20 0 GEADRO O=C(c1cccn2ncc(Br)c12)N1CC[NH+](C2CCOCC2)CC1 ZINC000906888805 654483206 /nfs/dbraw/zinc/48/32/06/654483206.db2.gz IVIFBNCKHYSKNX-UHFFFAOYSA-N 1 0 393.285 2.034 20 0 GEADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cn(C)nc2I)c1 ZINC000894532022 654483200 /nfs/dbraw/zinc/48/32/00/654483200.db2.gz HIRURXGMOISIFL-CQSZACIVSA-N 1 0 385.249 2.026 20 0 GEADRO CO[C@H](CC[NH2+]Cc1cn(C)nc1I)C(F)(F)F ZINC000894538026 654483950 /nfs/dbraw/zinc/48/39/50/654483950.db2.gz NGXALPJDSXGRQA-MRVPVSSYSA-N 1 0 377.148 2.082 20 0 GEADRO CO[C@@H](CC[NH2+]Cc1cn(C)nc1I)C(F)(F)F ZINC000894538027 654484157 /nfs/dbraw/zinc/48/41/57/654484157.db2.gz NGXALPJDSXGRQA-QMMMGPOBSA-N 1 0 377.148 2.082 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+]Cc2cnc[nH]2)C1 ZINC000894554253 654486020 /nfs/dbraw/zinc/48/60/20/654486020.db2.gz WAFZJXQSUHYYDR-CYBMUJFWSA-N 1 0 399.314 2.115 20 0 GEADRO Cc1cc(OCC(=O)NCCN2CCC([NH+](C)C)CC2)ccc1Br ZINC000906908109 654486098 /nfs/dbraw/zinc/48/60/98/654486098.db2.gz WGURQPOZJRGGIQ-UHFFFAOYSA-N 1 0 398.345 2.279 20 0 GEADRO C[C@@H]1C[NH+](CCCCNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)C[C@@H](C)O1 ZINC000906930313 654489137 /nfs/dbraw/zinc/48/91/37/654489137.db2.gz GFEVUNCMOLRSHX-IJLUTSLNSA-N 1 0 375.724 2.113 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(F)(F)c1ncccc1Br ZINC000906940578 654490418 /nfs/dbraw/zinc/49/04/18/654490418.db2.gz BJOAIYAYWCRTGW-NSHDSACASA-N 1 0 394.260 2.409 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cc4ccccc4s3)CC2)C1 ZINC000906948594 654491839 /nfs/dbraw/zinc/49/18/39/654491839.db2.gz UWLKPGXRQIROKC-MRXNPFEDSA-N 1 0 379.551 2.302 20 0 GEADRO O=S1(=O)C[C@H](C[NH2+]Cc2ncc(Br)cc2O)c2ccccc21 ZINC000894661272 654493237 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C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000924890468 654528162 /nfs/dbraw/zinc/52/81/62/654528162.db2.gz JJTKBSLVAPAWKR-WFASDCNBSA-N 1 0 382.302 2.216 20 0 GEADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000924905885 654528431 /nfs/dbraw/zinc/52/84/31/654528431.db2.gz FDGQGVIGNVNSEP-DOMZBBRYSA-N 1 0 382.302 2.216 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+](CC3CC3)C2)oc1Cl ZINC000907298048 654529161 /nfs/dbraw/zinc/52/91/61/654529161.db2.gz KVEDJTCNMSGOHA-LBPRGKRZSA-N 1 0 390.889 2.120 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000924996342 654530871 /nfs/dbraw/zinc/53/08/71/654530871.db2.gz TWMNFGJXZPMBNY-SFYZADRCSA-N 1 0 399.182 2.402 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2cnnn2C)c1 ZINC000925016586 654531521 /nfs/dbraw/zinc/53/15/21/654531521.db2.gz QUQVNIOOUQGXTM-LLVKDONJSA-N 1 0 396.289 2.057 20 0 GEADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1cc(Cl)cnc1Cl ZINC000907327426 654532232 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C[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000927009073 654589602 /nfs/dbraw/zinc/58/96/02/654589602.db2.gz XRYWLLFUSOTKGO-LBPRGKRZSA-N 1 0 388.273 2.461 20 0 GEADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927027970 654590178 /nfs/dbraw/zinc/59/01/78/654590178.db2.gz HKLZBCGCIRSHKL-PUYPPJJSSA-N 1 0 394.356 2.227 20 0 GEADRO C[C@H]([NH2+]CCOC1CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000927080323 654591149 /nfs/dbraw/zinc/59/11/49/654591149.db2.gz SKKOXNYMLUORGM-JTQLQIEISA-N 1 0 397.324 2.487 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927102825 654591766 /nfs/dbraw/zinc/59/17/66/654591766.db2.gz MABRXQZHUUIUPK-UHFFFAOYSA-N 1 0 384.322 2.118 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000927105040 654592110 /nfs/dbraw/zinc/59/21/10/654592110.db2.gz HWBRDBIEZDYFIN-UHFFFAOYSA-N 1 0 382.306 2.014 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000927107392 654592703 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C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC[C@H]1C[NH3+] ZINC000927889434 654620059 /nfs/dbraw/zinc/62/00/59/654620059.db2.gz FDGPOVPDPYXMOJ-UWVGGRQHSA-N 1 0 388.693 2.484 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC000927890658 654620316 /nfs/dbraw/zinc/62/03/16/654620316.db2.gz PHHZMBRXSHUOAI-QWHCGFSZSA-N 1 0 382.302 2.448 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC000927892723 654620693 /nfs/dbraw/zinc/62/06/93/654620693.db2.gz YPJKDXQHUOYJQX-ONGXEEELSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC000927892712 654620754 /nfs/dbraw/zinc/62/07/54/654620754.db2.gz YPJKDXQHUOYJQX-GXSJLCMTSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1C[NH3+] ZINC000927893831 654620772 /nfs/dbraw/zinc/62/07/72/654620772.db2.gz PDKUKOOCMQCSHV-UWVGGRQHSA-N 1 0 375.803 2.323 20 0 GEADRO COc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)ccc1Br ZINC000927925294 654621725 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SECPSVCEKFEELX-MADCSZMMSA-N 1 0 380.176 2.392 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000928443032 654647876 /nfs/dbraw/zinc/64/78/76/654647876.db2.gz SFVZVIBDORQABH-UHOFOFEASA-N 1 0 394.313 2.149 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000928570943 654652208 /nfs/dbraw/zinc/65/22/08/654652208.db2.gz ZCQQTRHRYYVJCU-MRXNPFEDSA-N 1 0 394.313 2.122 20 0 GEADRO COc1cc(C[NH+](C)C)ccc1NC(=O)Cc1c(Br)cnn1C ZINC000909474575 654666052 /nfs/dbraw/zinc/66/60/52/654666052.db2.gz GJMNLVYVGZZRJZ-UHFFFAOYSA-N 1 0 381.274 2.434 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000909570930 654668254 /nfs/dbraw/zinc/66/82/54/654668254.db2.gz FPEYSAMOELITHR-WBVHZDCISA-N 1 0 382.302 2.354 20 0 GEADRO CC1([NH+]2CCCC2)CCC(NC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000929210573 654675796 /nfs/dbraw/zinc/67/57/96/654675796.db2.gz QKURTLCSAZLIBK-FUJMWEONSA-N 1 0 376.328 2.210 20 0 GEADRO 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TVKVHUQACIFKGI-WDEREUQCSA-N 1 0 399.285 2.330 20 0 GEADRO C[C@H]1CN(C(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)CC(C)(C)O1 ZINC000929614693 654688999 /nfs/dbraw/zinc/68/89/99/654688999.db2.gz SMQGJJCREWRDGF-ZDUSSCGKSA-N 1 0 399.333 2.308 20 0 GEADRO COC(=O)c1cc(Br)c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1OC ZINC000929772360 654691945 /nfs/dbraw/zinc/69/19/45/654691945.db2.gz XVZOVKUOULESHN-LLVKDONJSA-N 1 0 399.285 2.332 20 0 GEADRO CS(=O)(=O)N1CC(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000929835922 654692914 /nfs/dbraw/zinc/69/29/14/654692914.db2.gz DBVWPDRGHRXSMV-ZDUSSCGKSA-N 1 0 379.309 2.338 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)C1 ZINC000910297870 654695433 /nfs/dbraw/zinc/69/54/33/654695433.db2.gz LIMJCSHQWGPNIK-ZDUSSCGKSA-N 1 0 387.933 2.147 20 0 GEADRO CC[C@](C)([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1nccs1 ZINC000929991527 654696803 /nfs/dbraw/zinc/69/68/03/654696803.db2.gz KWFIJZLRGJGFOP-CJNGLKHVSA-N 1 0 389.587 2.359 20 0 GEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(=O)n(C)cc1Br ZINC000930137783 654700001 /nfs/dbraw/zinc/70/00/01/654700001.db2.gz WEBLXSMGSKHIMY-UHFFFAOYSA-N 1 0 394.269 2.470 20 0 GEADRO CCO[C@H](CNC(=O)C(=O)N[C@H](CC)c1ccc(Cl)s1)C[NH+](C)C ZINC000930184058 654701372 /nfs/dbraw/zinc/70/13/72/654701372.db2.gz ZAAHRGJDGRSSEC-VXGBXAGGSA-N 1 0 375.922 2.052 20 0 GEADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)c(C(=O)OC)cc2Br)C1 ZINC000930305094 654705340 /nfs/dbraw/zinc/70/53/40/654705340.db2.gz LCUUZCDKOGYQQN-KRWDZBQOSA-N 1 0 399.285 2.202 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cnc2Br)C1 ZINC000930361964 654707079 /nfs/dbraw/zinc/70/70/79/654707079.db2.gz ATLHYZPNIPBSDO-QMMMGPOBSA-N 1 0 377.080 2.288 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000930369770 654707490 /nfs/dbraw/zinc/70/74/90/654707490.db2.gz XVDYCOGSAZSPOQ-NHYWBVRUSA-N 1 0 392.297 2.475 20 0 GEADRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000930373408 654707845 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GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Br)c3nccnc3c2)n1 ZINC000931199996 654733469 /nfs/dbraw/zinc/73/34/69/654733469.db2.gz OPWFDXXPGQRYQU-UHFFFAOYSA-N 1 0 389.257 2.403 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)nn1-c1ccccc1Br ZINC000911884503 654735190 /nfs/dbraw/zinc/73/51/90/654735190.db2.gz QWPJNEUIWIQBHX-LRDDRELGSA-N 1 0 393.285 2.131 20 0 GEADRO CN(C)C[C@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000931256952 654735892 /nfs/dbraw/zinc/73/58/92/654735892.db2.gz NTMARBZZESOGAA-JQFCIGGWSA-N 1 0 377.312 2.088 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000911946737 654737234 /nfs/dbraw/zinc/73/72/34/654737234.db2.gz QJCFOHWEEFISPR-QGZVFWFLSA-N 1 0 381.314 2.394 20 0 GEADRO C[N@@H+]1C[C@@]2(C)CN(C[C@H](O)COc3ccc(Br)cc3)C[C@@]2(C)C1 ZINC000931305570 654737807 /nfs/dbraw/zinc/73/78/07/654737807.db2.gz ZOISXJWYRRYXHC-RYQLBKOJSA-N 1 0 383.330 2.462 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)Nc2ccc3c(c2)CCC3)c1=O ZINC000911972137 654738259 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Cc1c(Br)cncc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000934252858 654840136 /nfs/dbraw/zinc/84/01/36/654840136.db2.gz NUTMJBQFWRZBRD-GFCCVEGCSA-N 1 0 384.322 2.158 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cn2cc(Br)ccc2n1 ZINC000934256446 654840412 /nfs/dbraw/zinc/84/04/12/654840412.db2.gz CRPMECGDYWATRP-CVEARBPZSA-N 1 0 379.302 2.128 20 0 GEADRO Cn1cc(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(Br)n1 ZINC000914270884 654840754 /nfs/dbraw/zinc/84/07/54/654840754.db2.gz IIRMPVCMXOLLAR-CQSZACIVSA-N 1 0 398.280 2.424 20 0 GEADRO Cc1cc(NC(=O)CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000934263475 654841341 /nfs/dbraw/zinc/84/13/41/654841341.db2.gz POAYSIXCCASXPZ-SJORKVTESA-N 1 0 396.329 2.227 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934264588 654841602 /nfs/dbraw/zinc/84/16/02/654841602.db2.gz HXWHORKRHHGQQJ-JKSUJKDBSA-N 1 0 393.329 2.367 20 0 GEADRO COC1CC[NH+](CCNC(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000934305995 654843556 /nfs/dbraw/zinc/84/35/56/654843556.db2.gz UIAUPNLOTGGUFC-UHFFFAOYSA-N 1 0 393.285 2.233 20 0 GEADRO C[C@@H]1C[NH+](CCCCNC(=O)C2(n3cc(Br)cn3)CC2)C[C@@H](C)O1 ZINC000934313969 654843978 /nfs/dbraw/zinc/84/39/78/654843978.db2.gz QXEBPFGYSFERRX-ZIAGYGMSSA-N 1 0 399.333 2.140 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)Nc2c(Br)cnn2C2CC2)CC1 ZINC000934372455 654847422 /nfs/dbraw/zinc/84/74/22/654847422.db2.gz OQNNECIURZXLEI-UHFFFAOYSA-N 1 0 399.337 2.128 20 0 GEADRO O=C(Nc1c(Br)cnn1C1CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934372882 654847564 /nfs/dbraw/zinc/84/75/64/654847564.db2.gz SLIGUAQZXGYUIG-LBPRGKRZSA-N 1 0 398.305 2.167 20 0 GEADRO C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000914364086 654848512 /nfs/dbraw/zinc/84/85/12/654848512.db2.gz OTSOIMZKUVKFAO-CJNGLKHVSA-N 1 0 381.318 2.279 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1nc(Br)c2ccccn21 ZINC000934723591 654856060 /nfs/dbraw/zinc/85/60/60/654856060.db2.gz OXPVTZOOLXCDSQ-CYBMUJFWSA-N 1 0 393.285 2.080 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)c1cn(-c2ccccc2Br)nn1 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385.258 2.285 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000935245995 654883400 /nfs/dbraw/zinc/88/34/00/654883400.db2.gz CDTKZXMBNISMDF-AWEZNQCLSA-N 1 0 378.270 2.253 20 0 GEADRO C[NH+]1CCC2(CCC(NS(=O)(=O)c3nc[nH]c3Br)CC2)CC1 ZINC000915969899 654883671 /nfs/dbraw/zinc/88/36/71/654883671.db2.gz KVAGQFMOPXOIIX-UHFFFAOYSA-N 1 0 391.335 2.105 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)NC2CCC3(CC2)CC[NH+](C)CC3)s1 ZINC000915961159 654883761 /nfs/dbraw/zinc/88/37/61/654883761.db2.gz MRTLSRMHQRTMJG-UHFFFAOYSA-N 1 0 386.543 2.034 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000916009919 654884622 /nfs/dbraw/zinc/88/46/22/654884622.db2.gz KKQYMKBOYUQTOX-CQSZACIVSA-N 1 0 384.571 2.098 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc(=O)[nH]cc2Br)C[C@H]1[NH+]1CCCC1 ZINC000935367387 654889942 /nfs/dbraw/zinc/88/99/42/654889942.db2.gz LJWPINLOCLVELM-OLZOCXBDSA-N 1 0 386.315 2.202 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935551514 654899721 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CN1CCN(C(=O)COC2CC[NH+](C)CC2)c2ccc(Br)cc21 ZINC000935940035 654929256 /nfs/dbraw/zinc/92/92/56/654929256.db2.gz XYNCMESQYJODTD-UHFFFAOYSA-N 1 0 382.302 2.343 20 0 GEADRO O=C(c1nccc2c(Br)cccc21)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935982162 654931719 /nfs/dbraw/zinc/93/17/19/654931719.db2.gz BREKJBWZZDJHDI-CHWSQXEVSA-N 1 0 390.281 2.278 20 0 GEADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)C(F)(F)c1cccc(Br)c1 ZINC000935984399 654932215 /nfs/dbraw/zinc/93/22/15/654932215.db2.gz MGSNBAAAMNGXSU-ZIAGYGMSSA-N 1 0 389.240 2.208 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(Cl)s4)[C@@H]3C2)CC[N@@H+]1C ZINC000975274222 654943070 /nfs/dbraw/zinc/94/30/70/654943070.db2.gz KQBAOPNKRRVUGK-AAVRWANBSA-N 1 0 381.929 2.415 20 0 GEADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164402125 718852000 /nfs/dbraw/zinc/85/20/00/718852000.db2.gz FCGWUPCVHGKMBL-BONVTDFDSA-N 1 0 389.233 2.500 20 0 GEADRO CCOC(=O)c1ccc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)c(Cl)n1 ZINC001164410131 718863894 /nfs/dbraw/zinc/86/38/94/718863894.db2.gz XBJOWAWZRHFEQS-FZMZJTMJSA-N 1 0 389.830 2.271 20 0 GEADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164410030 718866145 /nfs/dbraw/zinc/86/61/45/718866145.db2.gz WJDLILVOUYAYMQ-ZJUUUORDSA-N 1 0 389.859 2.185 20 0 GEADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425809 718914347 /nfs/dbraw/zinc/91/43/47/718914347.db2.gz VNLLPVVDVABRRC-KRWDZBQOSA-N 1 0 398.841 2.413 20 0 GEADRO FC(F)(N1CCCO[C@]2(C[NH2+]CCOC2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164424989 718919176 /nfs/dbraw/zinc/91/91/76/718919176.db2.gz PRQPZHDOQYFWFO-MRXNPFEDSA-N 1 0 387.858 2.440 20 0 GEADRO Clc1ccc(OC(Cl)(Cl)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)cn1 ZINC001164425795 718919190 /nfs/dbraw/zinc/91/91/90/718919190.db2.gz VEJLDKXHGCMHRW-AWEZNQCLSA-N 1 0 396.702 2.284 20 0 GEADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164423092 718944788 /nfs/dbraw/zinc/94/47/88/718944788.db2.gz DGBWNVCUFFJWEP-DZGCQCFKSA-N 1 0 378.810 2.454 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1c[nH]c2nc(Cl)ccc21 ZINC001164617092 719014762 /nfs/dbraw/zinc/01/47/62/719014762.db2.gz MBJOPUKOPLDIJH-XDTLVQLUSA-N 1 0 384.814 2.491 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164617829 719016003 /nfs/dbraw/zinc/01/60/03/719016003.db2.gz QBTNXFDQDBBZNT-SDDRHHMPSA-N 1 0 384.814 2.491 20 0 GEADRO C[C@@H]1C(=O)Nc2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2N1C ZINC001164628919 719079704 /nfs/dbraw/zinc/07/97/04/719079704.db2.gz USGQEQBFWIVQFN-SUMDDJOVSA-N 1 0 392.507 2.354 20 0 GEADRO CN1CCN(c2nccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164628618 719105111 /nfs/dbraw/zinc/10/51/11/719105111.db2.gz NUSYDBKKRBXDRX-LEWJYISDSA-N 1 0 392.551 2.329 20 0 GEADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164625107 719115262 /nfs/dbraw/zinc/11/52/62/719115262.db2.gz GNEZRYAEUYYBGK-GXSJLCMTSA-N 1 0 392.809 2.365 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164629404 719137110 /nfs/dbraw/zinc/13/71/10/719137110.db2.gz AQQCGHRYWONORE-CQSZACIVSA-N 1 0 382.798 2.293 20 0 GEADRO CC(C)C[NH+]1CCN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC001164657535 719336195 /nfs/dbraw/zinc/33/61/95/719336195.db2.gz QGNMTCFDRBAYDG-UHFFFAOYSA-N 1 0 390.509 2.450 20 0 GEADRO COC(=O)c1ccc2c(c1)ncnc2-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683610 719607893 /nfs/dbraw/zinc/60/78/93/719607893.db2.gz KBSCXWZXVDBEIP-UHFFFAOYSA-N 1 0 394.479 2.088 20 0 GEADRO CC(C)N(C)Cc1nn(-c2ncnc3cc4c(cc32)OCCO4)c2c1CC[NH2+]C2 ZINC001164686140 719609769 /nfs/dbraw/zinc/60/97/69/719609769.db2.gz YJRUVOCYGXAGLQ-UHFFFAOYSA-N 1 0 394.479 2.073 20 0 GEADRO CCOC(=O)c1cc2ccnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2[nH]1 ZINC001164686040 719617597 /nfs/dbraw/zinc/61/75/97/719617597.db2.gz XPXCFAWFFZOYQF-UHFFFAOYSA-N 1 0 396.495 2.411 20 0 GEADRO CC(C)N(C)Cc1nn(-c2cc(N3CCC[C@@H](C)C3)ncn2)c2c1CC[NH2+]C2 ZINC001164680624 719646180 /nfs/dbraw/zinc/64/61/80/719646180.db2.gz ZAKFPTUGQVLGBW-MRXNPFEDSA-N 1 0 383.544 2.385 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164690320 719753201 /nfs/dbraw/zinc/75/32/01/719753201.db2.gz ZVSHWGODTLKPOJ-UHFFFAOYSA-N 1 0 383.471 2.464 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)OC(C)C)nn1)C2 ZINC001164814228 720088874 /nfs/dbraw/zinc/08/88/74/720088874.db2.gz WDJBJHAKDYFYJI-UWJYYQICSA-N 1 0 388.512 2.227 20 0 GEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(OC)n1)CC2 ZINC001164710254 720096731 /nfs/dbraw/zinc/09/67/31/720096731.db2.gz IACWRUZBDMPYIL-GOSISDBHSA-N 1 0 383.496 2.388 20 0 GEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(N)=O)cn1)CC2 ZINC001164717377 720106260 /nfs/dbraw/zinc/10/62/60/720106260.db2.gz NZLYVYQNDHAQCG-LJQANCHMSA-N 1 0 395.507 2.083 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)C2 ZINC001164813150 720121715 /nfs/dbraw/zinc/12/17/15/720121715.db2.gz PQJAZMQGKZXHRN-VBKZILBWSA-N 1 0 390.915 2.414 20 0 GEADRO CCCc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(C)n1 ZINC001164717177 720189351 /nfs/dbraw/zinc/18/93/51/720189351.db2.gz UGVVHMQUDZMXLE-LJQANCHMSA-N 1 0 399.543 2.082 20 0 GEADRO Cn1nnc2c1CCN(c1ccc(C(C)(C)C)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714972 720197968 /nfs/dbraw/zinc/19/79/68/720197968.db2.gz HYJBIMOFFNTENX-KRWDZBQOSA-N 1 0 399.543 2.119 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(N)cc1Cl)CCC2 ZINC001164814691 720224256 /nfs/dbraw/zinc/22/42/56/720224256.db2.gz VCIDJQZTQIITKY-UHFFFAOYSA-N 1 0 376.892 2.124 20 0 GEADRO Cc1cc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2[nH]1 ZINC001164813993 720226723 /nfs/dbraw/zinc/22/67/23/720226723.db2.gz QQRRIPQABSDPSD-UHFFFAOYSA-N 1 0 381.484 2.074 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(C(F)F)n1)CCC2 ZINC001164814501 720232425 /nfs/dbraw/zinc/23/24/25/720232425.db2.gz VWLOUAIXOBCLFD-UHFFFAOYSA-N 1 0 378.427 2.221 20 0 GEADRO CSc1nccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822651 720290629 /nfs/dbraw/zinc/29/06/29/720290629.db2.gz NWRVQBAOLAAHPR-HZPDHXFCSA-N 1 0 375.542 2.110 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2CCCC3)CC1 ZINC001164823814 720313790 /nfs/dbraw/zinc/31/37/90/720313790.db2.gz PXRSUDWSLGBZFD-VQTJNVASSA-N 1 0 383.540 2.267 20 0 GEADRO COc1cc(OC)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164832390 720317983 /nfs/dbraw/zinc/31/79/83/720317983.db2.gz SUULSLZEYZYTQX-ZWKOTPCHSA-N 1 0 388.512 2.010 20 0 GEADRO C=C(OCC)c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164829423 720318308 /nfs/dbraw/zinc/31/83/08/720318308.db2.gz LUYLAIXZEZIYOB-PMACEKPBSA-N 1 0 399.539 2.395 20 0 GEADRO C=C(OCC)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164829424 720318348 /nfs/dbraw/zinc/31/83/48/720318348.db2.gz LUYLAIXZEZIYOB-UXHICEINSA-N 1 0 399.539 2.395 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(C(F)F)n2)CC1 ZINC001164831404 720333562 /nfs/dbraw/zinc/33/35/62/720333562.db2.gz RXHCSBQRQRAHJW-HZPDHXFCSA-N 1 0 379.455 2.326 20 0 GEADRO CC(C)Oc1nccnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829518 720347347 /nfs/dbraw/zinc/34/73/47/720347347.db2.gz SHKNWXFVMGPKOR-ROUUACIJSA-N 1 0 387.528 2.175 20 0 GEADRO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164823597 720424793 /nfs/dbraw/zinc/42/47/93/720424793.db2.gz HTDLSEHIVRJOQM-AQNXPRMDSA-N 1 0 386.540 2.291 20 0 GEADRO COC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838451 720509050 /nfs/dbraw/zinc/50/90/50/720509050.db2.gz RHBOYGPXNKDCRK-GUDVDZBRSA-N 1 0 383.496 2.443 20 0 GEADRO CCOC(=O)c1cc2cccnc2nc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164727485 720514546 /nfs/dbraw/zinc/51/45/46/720514546.db2.gz HLOAGBZTOFNXNO-OAHLLOKOSA-N 1 0 394.479 2.201 20 0 GEADRO COC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841518 720517888 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HVBCYKMRJAHJIC-APWZRJJASA-N 1 0 379.936 2.204 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc5ncccc54)C3)O2)CC1 ZINC001164891874 721389678 /nfs/dbraw/zinc/38/96/78/721389678.db2.gz RCGAPWLNFPMFTA-AVRDEDQJSA-N 1 0 381.524 2.395 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ncc[nH]5)ccn4)C3)O2)CC1 ZINC001164890750 721426020 /nfs/dbraw/zinc/42/60/20/721426020.db2.gz DYCJCJZLWTUDGE-SIKLNZKXSA-N 1 0 396.539 2.237 20 0 GEADRO CCc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891514 721446305 /nfs/dbraw/zinc/44/63/05/721446305.db2.gz GUZXGOYQVMEWQL-YLJYHZDGSA-N 1 0 393.963 2.458 20 0 GEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4ccc(Cl)cc42)CC3)CC1 ZINC001164794824 721510142 /nfs/dbraw/zinc/51/01/42/721510142.db2.gz WSOXRMLSBGHBMB-UHFFFAOYSA-N 1 0 397.914 2.247 20 0 GEADRO NC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164896288 721513659 /nfs/dbraw/zinc/51/36/59/721513659.db2.gz AQOATLSLRHDVCH-HOCLYGCPSA-N 1 0 390.846 2.315 20 0 GEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc4ccc(Cl)nc4cn2)CC3)CC1 ZINC001164799202 721514464 /nfs/dbraw/zinc/51/44/64/721514464.db2.gz YJMNPSDHGUXTOE-UHFFFAOYSA-N 1 0 397.914 2.247 20 0 GEADRO CCOC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164896927 721519194 /nfs/dbraw/zinc/51/91/94/721519194.db2.gz CMSBQUYOFRXLAC-RDJZCZTQSA-N 1 0 386.427 2.134 20 0 GEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccsc4)nn2)CC3)CC1 ZINC001164796108 721521665 /nfs/dbraw/zinc/52/16/65/721521665.db2.gz VOPNSEAOAZGWHP-UHFFFAOYSA-N 1 0 395.536 2.169 20 0 GEADRO COC(=O)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1F ZINC001164898183 721525642 /nfs/dbraw/zinc/52/56/42/721525642.db2.gz IETCQQWTEJLRGG-ZBFHGGJFSA-N 1 0 389.402 2.488 20 0 GEADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(-n5ccnc5)nn4)CC[N@@H+]3C2)c1 ZINC001164911186 721543107 /nfs/dbraw/zinc/54/31/07/721543107.db2.gz VUDVQGZYJAVNEJ-WMZOPIPTSA-N 1 0 380.427 2.143 20 0 GEADRO CCNC(=O)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905214 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C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccnc(NC(=O)OC(C)(C)C)n1 ZINC001164929853 721857867 /nfs/dbraw/zinc/85/78/67/721857867.db2.gz QKLPJTRHBAAGIC-CABCVRRESA-N 1 0 376.505 2.038 20 0 GEADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001164922350 721867855 /nfs/dbraw/zinc/86/78/55/721867855.db2.gz FUWCXDKPEZRLOJ-SJORKVTESA-N 1 0 393.963 2.432 20 0 GEADRO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCCC4)cc[nH+]2)CC3)n1 ZINC001164935176 721906446 /nfs/dbraw/zinc/90/64/46/721906446.db2.gz BAAVGAZMYBGGEJ-UHFFFAOYSA-N 1 0 396.539 2.287 20 0 GEADRO COc1ccc(OC)c(-c2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nn2)c1 ZINC001165045062 721921100 /nfs/dbraw/zinc/92/11/00/721921100.db2.gz YXMMPQRHXMTVLS-QGZVFWFLSA-N 1 0 384.480 2.462 20 0 GEADRO COc1ccc(OC)c(-c2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nn2)c1 ZINC001165045061 721921248 /nfs/dbraw/zinc/92/12/48/721921248.db2.gz YXMMPQRHXMTVLS-KRWDZBQOSA-N 1 0 384.480 2.462 20 0 GEADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001164948580 721955469 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2.305 20 0 GEADRO CC[NH+](CC)C1CCN(c2ccc(N3CCC(C(=O)OC)CC3)nn2)CC1 ZINC001165052787 722003841 /nfs/dbraw/zinc/00/38/41/722003841.db2.gz BCXZDBCKQGEAEW-UHFFFAOYSA-N 1 0 375.517 2.177 20 0 GEADRO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)C2)C1 ZINC001164954171 722010558 /nfs/dbraw/zinc/01/05/58/722010558.db2.gz JQNKTCIDYDNHCA-LAUBAEHRSA-N 1 0 387.528 2.075 20 0 GEADRO NC(=O)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953210 722015795 /nfs/dbraw/zinc/01/57/95/722015795.db2.gz TWRZTTDYSGFDMM-UHFFFAOYSA-N 1 0 386.887 2.116 20 0 GEADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967135 722074625 /nfs/dbraw/zinc/07/46/25/722074625.db2.gz KTZIGRRQZKAKLR-JDVOYXAPSA-N 1 0 382.464 2.049 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc(N5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164981380 722098873 /nfs/dbraw/zinc/09/88/73/722098873.db2.gz LFJQBKCDONXIPJ-VQTJNVASSA-N 1 0 394.523 2.199 20 0 GEADRO CCOC(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974733 722101477 /nfs/dbraw/zinc/10/14/77/722101477.db2.gz BPKLCQTYMKORST-ICSRJNTNSA-N 1 0 396.491 2.381 20 0 GEADRO CCOC(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974738 722101730 /nfs/dbraw/zinc/10/17/30/722101730.db2.gz BPKLCQTYMKORST-UYAOXDASSA-N 1 0 396.491 2.381 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ncnc5cccnc54)CC[C@H]3C2)c1 ZINC001164980790 722104270 /nfs/dbraw/zinc/10/42/70/722104270.db2.gz KJWJQMCDDTZVEB-PKOBYXMFSA-N 1 0 376.464 2.147 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cnc5cccnc5n4)CC[C@@H]3C2)c1 ZINC001164971444 722111708 /nfs/dbraw/zinc/11/17/08/722111708.db2.gz CLHNYUJBUKZWKM-IEBWSBKVSA-N 1 0 376.464 2.147 20 0 GEADRO COCOc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164977341 722120897 /nfs/dbraw/zinc/12/08/97/722120897.db2.gz MQVWWCWNHSCRNX-QUCCMNQESA-N 1 0 384.480 2.187 20 0 GEADRO COc1cc(Cl)cnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000829 722250931 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O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cc2c(cc1Cl)OCCO2 ZINC000171242292 531897820 /nfs/dbraw/zinc/89/78/20/531897820.db2.gz LYRVARRMOKBHTH-UHFFFAOYSA-N 1 0 386.901 2.264 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000171222449 531898184 /nfs/dbraw/zinc/89/81/84/531898184.db2.gz STKAJHJTADHHJO-UHFFFAOYSA-N 1 0 380.286 2.439 20 0 GEADRO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000067418648 531885450 /nfs/dbraw/zinc/88/54/50/531885450.db2.gz QTVYVLMNIWGBNC-OAHLLOKOSA-N 1 0 396.329 2.256 20 0 GEADRO Cc1sc2ncnc(SCC(=O)N(C)CCN3CCOCC3)c2c1C ZINC000171418593 531905630 /nfs/dbraw/zinc/90/56/30/531905630.db2.gz URFFPGSZGYEVGF-UHFFFAOYSA-N 1 0 380.539 2.191 20 0 GEADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000072775409 531917972 /nfs/dbraw/zinc/91/79/72/531917972.db2.gz YYHPJZWOCKBHCO-IAGOWNOFSA-N 1 0 375.579 2.063 20 0 GEADRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)sc1C ZINC000091040286 531923342 /nfs/dbraw/zinc/92/33/42/531923342.db2.gz JURGNYCKCRRZOF-UHFFFAOYSA-N 1 0 376.544 2.259 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(I)ccc1O ZINC000171763790 531916319 /nfs/dbraw/zinc/91/63/19/531916319.db2.gz ZPHDFZRAUFVWDD-SNVBAGLBSA-N 1 0 386.233 2.211 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000171765814 531916717 /nfs/dbraw/zinc/91/67/17/531916717.db2.gz DRKQRKFBELUEJI-UHFFFAOYSA-N 1 0 381.274 2.166 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000172055093 531931503 /nfs/dbraw/zinc/93/15/03/531931503.db2.gz PVTMYVHGNCLOFE-GXTWGEPZSA-N 1 0 382.302 2.036 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)c1cc(F)ccc1Cl)N1CC[NH+](C)CC1 ZINC000097600517 531936987 /nfs/dbraw/zinc/93/69/87/531936987.db2.gz YLSSUYRRYOBBDK-HNNXBMFYSA-N 1 0 377.913 2.029 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1Br ZINC000097546125 531937217 /nfs/dbraw/zinc/93/72/17/531937217.db2.gz XUBNOAGYCGWOKU-UHFFFAOYSA-N 1 0 391.331 2.420 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](C)CC1 ZINC000097598532 531937347 /nfs/dbraw/zinc/93/73/47/531937347.db2.gz IKOSXQYVCQRJTC-LLVKDONJSA-N 1 0 399.866 2.273 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCc2ccc(Br)cc2)CC1 ZINC000109175017 531942345 /nfs/dbraw/zinc/94/23/45/531942345.db2.gz IETGLNCHNUBRGZ-MRXNPFEDSA-N 1 0 384.318 2.341 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000109182052 531942980 /nfs/dbraw/zinc/94/29/80/531942980.db2.gz NRWRNJWHKDAQTR-CYBMUJFWSA-N 1 0 388.295 2.141 20 0 GEADRO O=C(CC[N@H+]1CCC[C@@H](OCCO)C1)Nc1ccc(Br)cc1F ZINC000172295717 531944995 /nfs/dbraw/zinc/94/49/95/531944995.db2.gz POCJBYFYKRMTQF-CYBMUJFWSA-N 1 0 389.265 2.390 20 0 GEADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000113750887 531951295 /nfs/dbraw/zinc/95/12/95/531951295.db2.gz JFPPZRIEDNAPPD-JTQLQIEISA-N 1 0 382.711 2.212 20 0 GEADRO CC[C@@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC[NH2+]C1 ZINC000119253681 531963342 /nfs/dbraw/zinc/96/33/42/531963342.db2.gz LMEUBLPPOJNXLZ-QGZVFWFLSA-N 1 0 385.917 2.453 20 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MDRLQGYGKMTQIY-ZDUSSCGKSA-N 1 0 383.286 2.332 20 0 GEADRO CC[NH+](CC)[C@H]1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000172951199 531976233 /nfs/dbraw/zinc/97/62/33/531976233.db2.gz DAUZQRYTYAUJPY-JKSUJKDBSA-N 1 0 394.313 2.497 20 0 GEADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000120221415 531977929 /nfs/dbraw/zinc/97/79/29/531977929.db2.gz CEASJPOOQJLJGA-LBPRGKRZSA-N 1 0 395.978 2.115 20 0 GEADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000120745283 531992647 /nfs/dbraw/zinc/99/26/47/531992647.db2.gz WGOGEKXNOPUIBX-SJORKVTESA-N 1 0 375.579 2.063 20 0 GEADRO CN1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)[C@H](c2ccccc2)C1 ZINC000173018035 531980234 /nfs/dbraw/zinc/98/02/34/531980234.db2.gz LGXWYRAFULVPKJ-HNNXBMFYSA-N 1 0 376.254 2.266 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1F ZINC000173023273 531980770 /nfs/dbraw/zinc/98/07/70/531980770.db2.gz AVBMIOQXUVBDEF-SNVBAGLBSA-N 1 0 377.279 2.351 20 0 GEADRO C[C@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)C(C)(C)C[NH+](C)C ZINC000173052440 531983412 /nfs/dbraw/zinc/98/34/12/531983412.db2.gz UNTMLSDEILYQIA-LBPRGKRZSA-N 1 0 382.555 2.082 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)COc2ccccc2Br)CC1 ZINC000120645527 531986739 /nfs/dbraw/zinc/98/67/39/531986739.db2.gz WAVQDGNCCLXVDA-HNNXBMFYSA-N 1 0 398.345 2.218 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000173109597 531988301 /nfs/dbraw/zinc/98/83/01/531988301.db2.gz UZVLBXBXJDQUFS-CYBMUJFWSA-N 1 0 391.331 2.147 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000173238830 531998064 /nfs/dbraw/zinc/99/80/64/531998064.db2.gz DAXDCVSIOYJUIN-KGLIPLIRSA-N 1 0 380.286 2.391 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCOc2ccccc2Br)CC1 ZINC000120881069 531999541 /nfs/dbraw/zinc/99/95/41/531999541.db2.gz GFOWLYWJBUKHEN-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO Cn1cnc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1Cl ZINC000173323861 532004860 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C[NH2+]CCCNC(=O)c1cccn1-c1ccc(I)cc1 ZINC000121330228 532023003 /nfs/dbraw/zinc/02/30/03/532023003.db2.gz WCFNZZHIZOHUQP-UHFFFAOYSA-N 1 0 383.233 2.421 20 0 GEADRO CCc1ccc(S(=O)(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)s1 ZINC000121371274 532025775 /nfs/dbraw/zinc/02/57/75/532025775.db2.gz IXUJOFWOCIFPLD-CVEARBPZSA-N 1 0 380.535 2.224 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000173704060 532028141 /nfs/dbraw/zinc/02/81/41/532028141.db2.gz LREGESQHTNYXRD-GFCCVEGCSA-N 1 0 398.301 2.339 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000173707254 532028217 /nfs/dbraw/zinc/02/82/17/532028217.db2.gz NAMNENYKVTUFOK-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO CC[C@H](CO)[NH+]1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000173739088 532029407 /nfs/dbraw/zinc/02/94/07/532029407.db2.gz MRNXIQHYVKNMMV-CZUORRHYSA-N 1 0 384.318 2.165 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000173744892 532031377 /nfs/dbraw/zinc/03/13/77/532031377.db2.gz CQGSIADCDDOXPO-HOCLYGCPSA-N 1 0 398.345 2.473 20 0 GEADRO C[N@H+](Cc1cc(Br)ccc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000121672060 532039875 /nfs/dbraw/zinc/03/98/75/532039875.db2.gz HLYXBWDRDPCRHI-UHFFFAOYSA-N 1 0 379.295 2.444 20 0 GEADRO COCCOC[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000174107004 532049701 /nfs/dbraw/zinc/04/97/01/532049701.db2.gz BWUSXIANVYRLCW-HOCLYGCPSA-N 1 0 388.302 2.174 20 0 GEADRO COCCOC[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000174106988 532050394 /nfs/dbraw/zinc/05/03/94/532050394.db2.gz BWUSXIANVYRLCW-ZBFHGGJFSA-N 1 0 388.302 2.174 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000174133872 532052353 /nfs/dbraw/zinc/05/23/53/532052353.db2.gz YAOWMUCBGHFPEA-YOEHRIQHSA-N 1 0 398.345 2.015 20 0 GEADRO O=C(/C=C/c1c(Cl)nc2sccn12)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174173003 532053125 /nfs/dbraw/zinc/05/31/25/532053125.db2.gz ZRPXZRLKGCFQCP-ZIYVKSGCSA-N 1 0 380.901 2.243 20 0 GEADRO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000122258480 532063414 /nfs/dbraw/zinc/06/34/14/532063414.db2.gz IVPDLXZQLDOZBI-LBPRGKRZSA-N 1 0 397.317 2.409 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000122288905 532064182 /nfs/dbraw/zinc/06/41/82/532064182.db2.gz IQHFWUIRLFYKOZ-IUODEOHRSA-N 1 0 380.286 2.330 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000174542740 532069131 /nfs/dbraw/zinc/06/91/31/532069131.db2.gz QPNGYYDJCFNJCV-UHFFFAOYSA-N 1 0 396.207 2.474 20 0 GEADRO COC[C@H](C)S(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000122527941 532073795 /nfs/dbraw/zinc/07/37/95/532073795.db2.gz PZBXCUYUHSHCKX-AWEZNQCLSA-N 1 0 390.933 2.138 20 0 GEADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C2 ZINC000174692465 532074718 /nfs/dbraw/zinc/07/47/18/532074718.db2.gz HVYFSWVCBCFLLA-JKSUJKDBSA-N 1 0 394.313 2.264 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000122545004 532074275 /nfs/dbraw/zinc/07/42/75/532074275.db2.gz BODKFOZNVCWKQE-UHFFFAOYSA-N 1 0 381.278 2.492 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000175135066 532090030 /nfs/dbraw/zinc/09/00/30/532090030.db2.gz UTYUETUWXHXXGV-CQSZACIVSA-N 1 0 383.945 2.008 20 0 GEADRO COc1cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)ccc1Br ZINC000175176036 532091835 /nfs/dbraw/zinc/09/18/35/532091835.db2.gz JZFBBTSIULEFGZ-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000175230494 532093730 /nfs/dbraw/zinc/09/37/30/532093730.db2.gz NOTFNBPOWZPMAF-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCC1([NH+](C)C)CCOCC1 ZINC000175287650 532097352 /nfs/dbraw/zinc/09/73/52/532097352.db2.gz ABXQMJYFJAMNJS-UHFFFAOYSA-N 1 0 380.432 2.403 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000175397184 532101913 /nfs/dbraw/zinc/10/19/13/532101913.db2.gz OMLBRILLJMWEKJ-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000175841391 532117310 /nfs/dbraw/zinc/11/73/10/532117310.db2.gz XFMVRKYRVYGATJ-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1c(F)cccc1Br ZINC000176074747 532124739 /nfs/dbraw/zinc/12/47/39/532124739.db2.gz PDGYGPGNVAYLNR-JTQLQIEISA-N 1 0 384.249 2.127 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000124359872 532119693 /nfs/dbraw/zinc/11/96/93/532119693.db2.gz NISKPWVZPZSWHG-NWDGAFQWSA-N 1 0 382.507 2.436 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(OC)c2)C1 ZINC000175957981 532120879 /nfs/dbraw/zinc/12/08/79/532120879.db2.gz SGUQVMIYKHEAHR-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)ccc1Br ZINC000176002715 532121712 /nfs/dbraw/zinc/12/17/12/532121712.db2.gz AQXNQHCVWPUMQV-UHFFFAOYSA-N 1 0 398.301 2.196 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000176063188 532124564 /nfs/dbraw/zinc/12/45/64/532124564.db2.gz UHKHHCTWAVFTGE-GFCCVEGCSA-N 1 0 387.933 2.241 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000124082074 532113525 /nfs/dbraw/zinc/11/35/25/532113525.db2.gz JSVLQSLOXNTUBQ-MRXNPFEDSA-N 1 0 378.300 2.374 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Br ZINC000124096176 532114144 /nfs/dbraw/zinc/11/41/44/532114144.db2.gz YVVOUOGIQYFUTJ-MNOVXSKESA-N 1 0 389.315 2.361 20 0 GEADRO COC[C@@H](O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000175792591 532114713 /nfs/dbraw/zinc/11/47/13/532114713.db2.gz AUBKAULZMHLXPW-LBPRGKRZSA-N 1 0 391.249 2.142 20 0 GEADRO CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000124104819 532114928 /nfs/dbraw/zinc/11/49/28/532114928.db2.gz KUWRWIDYCJKVHP-UHFFFAOYSA-N 1 0 382.917 2.359 20 0 GEADRO C[NH+]1CCC(CCNC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000124105417 532114972 /nfs/dbraw/zinc/11/49/72/532114972.db2.gz FKSRZFUEDANUQI-UHFFFAOYSA-N 1 0 392.301 2.492 20 0 GEADRO COc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)ccc1Br ZINC000175807427 532115788 /nfs/dbraw/zinc/11/57/88/532115788.db2.gz DADJJQGTCKKBGP-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO Cc1cc(NC(=O)CN(C)[C@@H](CO)c2cccc(Br)c2)n(C)n1 ZINC000125578181 532138268 /nfs/dbraw/zinc/13/82/68/532138268.db2.gz UUPHEMYCNIOIJU-AWEZNQCLSA-N 1 0 381.274 2.095 20 0 GEADRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cccnc1Br ZINC000125604803 532139301 /nfs/dbraw/zinc/13/93/01/532139301.db2.gz QRAYZZBBCUIWSX-HNNXBMFYSA-N 1 0 390.281 2.475 20 0 GEADRO Cc1cc(CCC(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccc1Br ZINC000176072517 532124997 /nfs/dbraw/zinc/12/49/97/532124997.db2.gz RSIZJYIPHDJFEZ-HNNXBMFYSA-N 1 0 382.346 2.442 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176091642 532125522 /nfs/dbraw/zinc/12/55/22/532125522.db2.gz GXSFZAFJPQYGCN-LLVKDONJSA-N 1 0 386.265 2.327 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(I)ccc2O)C1 ZINC000176085759 532125638 /nfs/dbraw/zinc/12/56/38/532125638.db2.gz ZUUOYOXXYYTCLM-LLVKDONJSA-N 1 0 388.249 2.411 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000124994162 532131742 /nfs/dbraw/zinc/13/17/42/532131742.db2.gz TVBYCVNKOAKGSX-VHSXEESVSA-N 1 0 393.303 2.015 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000124994585 532132252 /nfs/dbraw/zinc/13/22/52/532132252.db2.gz TVBYCVNKOAKGSX-NXEZZACHSA-N 1 0 393.303 2.015 20 0 GEADRO CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000176269247 532132462 /nfs/dbraw/zinc/13/24/62/532132462.db2.gz MXFFDOFLAJALLG-AWEZNQCLSA-N 1 0 383.334 2.478 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N(C)CC[NH+](C)C ZINC000176291064 532133205 /nfs/dbraw/zinc/13/32/05/532133205.db2.gz IMNFVOXQZGEXHB-UHFFFAOYSA-N 1 0 385.306 2.289 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000176407991 532136190 /nfs/dbraw/zinc/13/61/90/532136190.db2.gz JIRNEGWFIFUALC-LBPRGKRZSA-N 1 0 398.248 2.105 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000176793839 532149955 /nfs/dbraw/zinc/14/99/55/532149955.db2.gz GXJKMZGWBYYCPG-UHFFFAOYSA-N 1 0 381.523 2.459 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(I)cc1 ZINC000176855480 532151857 /nfs/dbraw/zinc/15/18/57/532151857.db2.gz LPOWVPIWRPMBBO-CQSZACIVSA-N 1 0 390.265 2.378 20 0 GEADRO Cc1nc(C)c(S(=O)(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000176882619 532153235 /nfs/dbraw/zinc/15/32/35/532153235.db2.gz PWVHRUORTNSFJG-STQMWFEESA-N 1 0 387.571 2.270 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C1CC1 ZINC000125968578 532144376 /nfs/dbraw/zinc/14/43/76/532144376.db2.gz IILBAFPZYFYBPO-CJNGLKHVSA-N 1 0 394.313 2.258 20 0 GEADRO C[C@@H](NC(=O)CNC(=O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000176637934 532144553 /nfs/dbraw/zinc/14/45/53/532144553.db2.gz ADFWBKSKOZKPTH-GFCCVEGCSA-N 1 0 384.318 2.271 20 0 GEADRO COC(=O)c1cccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000176792589 532149883 /nfs/dbraw/zinc/14/98/83/532149883.db2.gz HHTMAPLIDPRJFA-UHFFFAOYSA-N 1 0 382.507 2.287 20 0 GEADRO CC[NH+]1CCN(CCC(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000177270734 532167387 /nfs/dbraw/zinc/16/73/87/532167387.db2.gz NGOMKXJETIOBKM-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000176920260 532155845 /nfs/dbraw/zinc/15/58/45/532155845.db2.gz MSVABKRUIYPKSE-UHFFFAOYSA-N 1 0 394.368 2.439 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000177030570 532159168 /nfs/dbraw/zinc/15/91/68/532159168.db2.gz CYBMNXCBAKDOCE-UHFFFAOYSA-N 1 0 398.301 2.163 20 0 GEADRO Cc1csc(C2CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC2)n1 ZINC000177031988 532159706 /nfs/dbraw/zinc/15/97/06/532159706.db2.gz FQYJIWDSJBGYJV-UHFFFAOYSA-N 1 0 378.420 2.409 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177145650 532162206 /nfs/dbraw/zinc/16/22/06/532162206.db2.gz QYJCGOXHOTUMOK-AWEZNQCLSA-N 1 0 398.345 2.359 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)CCOc2cccc(Br)c2)CC1 ZINC000177144535 532163004 /nfs/dbraw/zinc/16/30/04/532163004.db2.gz WVUBQTSMDVCOQD-UHFFFAOYSA-N 1 0 398.345 2.360 20 0 GEADRO Brc1cc2c(cc1CN1CC[C@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000129435157 532178611 /nfs/dbraw/zinc/17/86/11/532178611.db2.gz QHYCYVXLAKYIKJ-CYBMUJFWSA-N 1 0 383.286 2.332 20 0 GEADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000129601007 532181061 /nfs/dbraw/zinc/18/10/61/532181061.db2.gz MJKVQYRHGRWLBU-PIGZVRMJSA-N 1 0 392.297 2.201 20 0 GEADRO COC(=O)[C@]1(C)CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000177461682 532172458 /nfs/dbraw/zinc/17/24/58/532172458.db2.gz NWRRJCJKRIFRRM-QGZVFWFLSA-N 1 0 383.286 2.293 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177521403 532174454 /nfs/dbraw/zinc/17/44/54/532174454.db2.gz OYMODARATZLECV-UHFFFAOYSA-N 1 0 396.329 2.498 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000177519427 532174554 /nfs/dbraw/zinc/17/45/54/532174554.db2.gz ZBANGIRIXBNMLE-UHFFFAOYSA-N 1 0 384.318 2.090 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000129279222 532176306 /nfs/dbraw/zinc/17/63/06/532176306.db2.gz NNBZCENEEKJNFE-UHFFFAOYSA-N 1 0 377.304 2.126 20 0 GEADRO Cn1ncc(Cl)c1C[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000131231837 532195021 /nfs/dbraw/zinc/19/50/21/532195021.db2.gz VGAKXYWNEZICEC-UHFFFAOYSA-N 1 0 382.917 2.264 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000178284212 532197866 /nfs/dbraw/zinc/19/78/66/532197866.db2.gz IXNMGPSSMFHMCB-JTQLQIEISA-N 1 0 388.693 2.451 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000178016183 532190381 /nfs/dbraw/zinc/19/03/81/532190381.db2.gz CTZKKOHPLWEKFL-NWDGAFQWSA-N 1 0 398.301 2.385 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000178019324 532190539 /nfs/dbraw/zinc/19/05/39/532190539.db2.gz IWBFTUGRLDRBHY-HUUCEWRRSA-N 1 0 394.313 2.327 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 ZINC000131963682 532207798 /nfs/dbraw/zinc/20/77/98/532207798.db2.gz UDJMAEYWNGALTN-IACUBPJLSA-N 1 0 384.307 2.410 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000178713762 532210754 /nfs/dbraw/zinc/21/07/54/532210754.db2.gz VIJZKIADCBJOEL-GFCCVEGCSA-N 1 0 383.290 2.021 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000132212876 532211720 /nfs/dbraw/zinc/21/17/20/532211720.db2.gz SRWUOUYUELKKIN-GFCCVEGCSA-N 1 0 378.274 2.101 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000178790161 532212802 /nfs/dbraw/zinc/21/28/02/532212802.db2.gz VLNHVMVDRIJGMH-CYBMUJFWSA-N 1 0 390.285 2.389 20 0 GEADRO COc1cc(Br)ccc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000132599698 532219090 /nfs/dbraw/zinc/21/90/90/532219090.db2.gz QOGUGUBIOURTCL-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000178821838 532213689 /nfs/dbraw/zinc/21/36/89/532213689.db2.gz DNTONNYVVVLWAX-LRDDRELGSA-N 1 0 394.313 2.388 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000178840900 532214732 /nfs/dbraw/zinc/21/47/32/532214732.db2.gz MUFIRWSQEASSDI-SNVBAGLBSA-N 1 0 388.693 2.451 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000178858211 532215086 /nfs/dbraw/zinc/21/50/86/532215086.db2.gz OKNFERKQLZHHCL-TZMCWYRMSA-N 1 0 394.313 2.388 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178880986 532215805 /nfs/dbraw/zinc/21/58/05/532215805.db2.gz WMKLYIKZLHBLHW-LLVKDONJSA-N 1 0 386.677 2.348 20 0 GEADRO CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000132479096 532215959 /nfs/dbraw/zinc/21/59/59/532215959.db2.gz CEQBZOKCLUXYQK-NSHDSACASA-N 1 0 392.253 2.492 20 0 GEADRO CCCN(C(=O)COc1ccc(I)cc1)[C@@H]1CC[NH2+]C1 ZINC000178919245 532217500 /nfs/dbraw/zinc/21/75/00/532217500.db2.gz KNVFOXWIDUHUIK-CYBMUJFWSA-N 1 0 388.249 2.271 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000178958320 532218331 /nfs/dbraw/zinc/21/83/31/532218331.db2.gz IPGWLVQHGMTVFY-BBRMVZONSA-N 1 0 383.945 2.307 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1Br ZINC000131612670 532201182 /nfs/dbraw/zinc/20/11/82/532201182.db2.gz JHSCKEDIKZCINI-GFCCVEGCSA-N 1 0 387.322 2.262 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1Br ZINC000131612864 532201477 /nfs/dbraw/zinc/20/14/77/532201477.db2.gz JHSCKEDIKZCINI-LBPRGKRZSA-N 1 0 387.322 2.262 20 0 GEADRO NC(=O)c1csc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000131702963 532202377 /nfs/dbraw/zinc/20/23/77/532202377.db2.gz AHVBSYFFDLBARA-UHFFFAOYSA-N 1 0 382.283 2.129 20 0 GEADRO O=C1CCCN1C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000178513176 532204225 /nfs/dbraw/zinc/20/42/25/532204225.db2.gz FQAKCTFAGNBWBW-MRXNPFEDSA-N 1 0 397.313 2.028 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178497876 532204337 /nfs/dbraw/zinc/20/43/37/532204337.db2.gz XAJLLTQSAVOZCI-CABCVRRESA-N 1 0 396.329 2.430 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000133251106 532229400 /nfs/dbraw/zinc/22/94/00/532229400.db2.gz CTJSNUWGVKYKKK-UHFFFAOYSA-N 1 0 387.571 2.192 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000133360007 532232610 /nfs/dbraw/zinc/23/26/10/532232610.db2.gz PBCKXXJXELYDIG-IRXDYDNUSA-N 1 0 380.330 2.306 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000133407186 532234456 /nfs/dbraw/zinc/23/44/56/532234456.db2.gz HIHPBLOHWULOSI-INIZCTEOSA-N 1 0 396.329 2.021 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000179000695 532220275 /nfs/dbraw/zinc/22/02/75/532220275.db2.gz UUNMIPXNTDKUKN-CZUORRHYSA-N 1 0 394.313 2.122 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000179017894 532220453 /nfs/dbraw/zinc/22/04/53/532220453.db2.gz XRMRDDYPJDSQRF-WHEQGISXSA-N 1 0 387.343 2.405 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)C1 ZINC000179021274 532220464 /nfs/dbraw/zinc/22/04/64/532220464.db2.gz USTLLVFCOROVGG-CZUORRHYSA-N 1 0 383.945 2.259 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000179015450 532220470 /nfs/dbraw/zinc/22/04/70/532220470.db2.gz BKQNNSKVSKIZKV-CZUORRHYSA-N 1 0 382.302 2.084 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)NC(C)(C)c2ccccc2Br)CC1=O ZINC000179003960 532220772 /nfs/dbraw/zinc/22/07/72/532220772.db2.gz UCAISAYPNFINIM-ZDUSSCGKSA-N 1 0 396.329 2.211 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N(C)[C@@H]3CC[NH2+]C3)[nH]c(=O)c2c1C ZINC000179081003 532221328 /nfs/dbraw/zinc/22/13/28/532221328.db2.gz ZPBGFVYPBANISI-NWDGAFQWSA-N 1 0 380.539 2.043 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)N(C)[C@H]3CC[NH2+]C3)[nH]c(=O)c2c1C ZINC000179081043 532221530 /nfs/dbraw/zinc/22/15/30/532221530.db2.gz ZPBGFVYPBANISI-NEPJUHHUSA-N 1 0 380.539 2.043 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000132907949 532223341 /nfs/dbraw/zinc/22/33/41/532223341.db2.gz UWZCJHNDEMRSOA-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cc(Br)ccc2F)CC1 ZINC000132916807 532223711 /nfs/dbraw/zinc/22/37/11/532223711.db2.gz XBBVYWNVVGUXOR-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)[C@@H]1CO ZINC000133025172 532225791 /nfs/dbraw/zinc/22/57/91/532225791.db2.gz ADMJVLFEHARGLA-BXUZGUMPSA-N 1 0 388.249 2.323 20 0 GEADRO O=C(COc1cccc(Br)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000134029631 532247895 /nfs/dbraw/zinc/24/78/95/532247895.db2.gz AQNCYPQOFDWMFN-HNNXBMFYSA-N 1 0 385.302 2.181 20 0 GEADRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCOCCO)c2ccc(Cl)cc2)c1 ZINC000179884250 532248809 /nfs/dbraw/zinc/24/88/09/532248809.db2.gz IAEKPXXXGJAQPG-GOSISDBHSA-N 1 0 383.897 2.431 20 0 GEADRO CCOC(=O)C1(NC(=O)c2ccc(F)cc2Br)CC[NH+](C)CC1 ZINC000134331239 532254764 /nfs/dbraw/zinc/25/47/64/532254764.db2.gz WIBQHYKIHIEWQX-UHFFFAOYSA-N 1 0 387.249 2.346 20 0 GEADRO CC(C)[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)C(=O)N1CCOCC1 ZINC000180077956 532255941 /nfs/dbraw/zinc/25/59/41/532255941.db2.gz FWPMQBJCOQPTNW-INIZCTEOSA-N 1 0 388.295 2.405 20 0 GEADRO CC[C@@]1(C(=O)NCCC(=O)N(C)Cc2ccccc2Br)CCC[NH2+]1 ZINC000134491082 532257297 /nfs/dbraw/zinc/25/72/97/532257297.db2.gz BKBAHKWJYAWFFW-SFHVURJKSA-N 1 0 396.329 2.446 20 0 GEADRO Cc1nc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000180084322 532257347 /nfs/dbraw/zinc/25/73/47/532257347.db2.gz SNYMNEVYSPWLLO-PSASIEDQSA-N 1 0 382.349 2.317 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180152320 532258809 /nfs/dbraw/zinc/25/88/09/532258809.db2.gz UENZPBRBXYXWJK-OCCSQVGLSA-N 1 0 380.901 2.312 20 0 GEADRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)sc1Br ZINC000134613172 532259211 /nfs/dbraw/zinc/25/92/11/532259211.db2.gz CJUYWLVQXRYZKE-NSHDSACASA-N 1 0 390.347 2.133 20 0 GEADRO C[NH+](C)C1CN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000134948884 532264417 /nfs/dbraw/zinc/26/44/17/532264417.db2.gz PMQHUKPCSPYUCY-UHFFFAOYSA-N 1 0 394.313 2.074 20 0 GEADRO Cc1cccc(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1Cl ZINC000180276607 532264644 /nfs/dbraw/zinc/26/46/44/532264644.db2.gz VNODMGVPWDVOGA-INIZCTEOSA-N 1 0 385.961 2.439 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc(F)cc2Cl)ccn1 ZINC000135084459 532267167 /nfs/dbraw/zinc/26/71/67/532267167.db2.gz CRCBFGBHHBMIOK-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CSCCc2ccccc21)NC[C@@H]1CCCCO1 ZINC000180749340 532279956 /nfs/dbraw/zinc/27/99/56/532279956.db2.gz RZHIWZYVSSHCSF-FUHWJXTLSA-N 1 0 384.567 2.095 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000136434615 532285112 /nfs/dbraw/zinc/28/51/12/532285112.db2.gz BLDXCNNMSUYGKB-UHFFFAOYSA-N 1 0 390.328 2.413 20 0 GEADRO O=C(N[C@@H](CO)c1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000136645536 532285243 /nfs/dbraw/zinc/28/52/43/532285243.db2.gz BYXHSRMTZMRDTB-INIZCTEOSA-N 1 0 382.302 2.409 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+]C2(c3ccc(Br)cc3)CC2)nn1 ZINC000180521476 532274253 /nfs/dbraw/zinc/27/42/53/532274253.db2.gz OJJLSXHXZFZGRP-UHFFFAOYSA-N 1 0 379.258 2.035 20 0 GEADRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181124076 532291592 /nfs/dbraw/zinc/29/15/92/532291592.db2.gz MVTNVODDHGZGGK-LMWSTFAQSA-N 1 0 377.503 2.236 20 0 GEADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000181123437 532291826 /nfs/dbraw/zinc/29/18/26/532291826.db2.gz VNJYSWJMXVYNIW-BLLLJJGKSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@@H](Cn1cccn1)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000138669348 532292587 /nfs/dbraw/zinc/29/25/87/532292587.db2.gz NJGCFVRXSXHIEV-HNNXBMFYSA-N 1 0 382.555 2.340 20 0 GEADRO C[C@H](Sc1nncn1C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000139981390 532293507 /nfs/dbraw/zinc/29/35/07/532293507.db2.gz AAHAHXINEOWOGB-UONOGXRCSA-N 1 0 379.555 2.386 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000181359376 532296520 /nfs/dbraw/zinc/29/65/20/532296520.db2.gz WZJMUDSYZADXBQ-GFCCVEGCSA-N 1 0 384.322 2.158 20 0 GEADRO C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000181392083 532297148 /nfs/dbraw/zinc/29/71/48/532297148.db2.gz AFPAMRPNVFICQM-HNNXBMFYSA-N 1 0 385.295 2.492 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000181412242 532297713 /nfs/dbraw/zinc/29/77/13/532297713.db2.gz UOQCNHWRXPUYDN-IUODEOHRSA-N 1 0 385.295 2.492 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000146618236 532298372 /nfs/dbraw/zinc/29/83/72/532298372.db2.gz WVSPEGUCYFWLGN-CYBMUJFWSA-N 1 0 389.315 2.317 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000181432970 532298810 /nfs/dbraw/zinc/29/88/10/532298810.db2.gz VXIFDFXRGVPHCE-GFCCVEGCSA-N 1 0 385.306 2.184 20 0 GEADRO C[C@@H](C[NH2+]C(C)(C)COc1ncccc1Br)CS(C)(=O)=O ZINC000181517770 532300110 /nfs/dbraw/zinc/30/01/10/532300110.db2.gz BVFHPKASOMEJKN-NSHDSACASA-N 1 0 379.320 2.272 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)cc1Br ZINC000150883307 532303396 /nfs/dbraw/zinc/30/33/96/532303396.db2.gz UQBYWVSDGMDGGI-GFCCVEGCSA-N 1 0 397.310 2.223 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)cc1Br ZINC000150883274 532303508 /nfs/dbraw/zinc/30/35/08/532303508.db2.gz UQBYWVSDGMDGGI-LBPRGKRZSA-N 1 0 397.310 2.223 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1c(C)c2cc(Br)ccc2oc1=O ZINC000150898910 532303691 /nfs/dbraw/zinc/30/36/91/532303691.db2.gz FBGSKDRVXITWIO-UHFFFAOYSA-N 1 0 397.269 2.172 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCC1CC[NH+](CCO)CC1 ZINC000181652165 532304123 /nfs/dbraw/zinc/30/41/23/532304123.db2.gz SLGQYYFLJXLOLK-UHFFFAOYSA-N 1 0 381.325 2.117 20 0 GEADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000181637262 532304133 /nfs/dbraw/zinc/30/41/33/532304133.db2.gz BKAFDGSSFLVNDD-BLLLJJGKSA-N 1 0 382.507 2.192 20 0 GEADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000181637282 532304179 /nfs/dbraw/zinc/30/41/79/532304179.db2.gz BKAFDGSSFLVNDD-MLGOLLRUSA-N 1 0 382.507 2.192 20 0 GEADRO COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000181675402 532304698 /nfs/dbraw/zinc/30/46/98/532304698.db2.gz WUFVRVZJSQMNLU-VXGBXAGGSA-N 1 0 376.906 2.289 20 0 GEADRO NC(=O)C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000182055220 532308691 /nfs/dbraw/zinc/30/86/91/532308691.db2.gz GAQXFVQGPSYUKT-GDBMZVCRSA-N 1 0 382.302 2.389 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000181791499 532306742 /nfs/dbraw/zinc/30/67/42/532306742.db2.gz PYYAFEYKQBKFNZ-SNVBAGLBSA-N 1 0 375.803 2.290 20 0 GEADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cccc(Br)c1 ZINC000181928192 532307394 /nfs/dbraw/zinc/30/73/94/532307394.db2.gz JXWGPCDIYXDGTK-IAQYHMDHSA-N 1 0 398.301 2.036 20 0 GEADRO COc1cc(Br)ccc1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000182205846 532310112 /nfs/dbraw/zinc/31/01/12/532310112.db2.gz XAATZKKYUQGVQN-INIZCTEOSA-N 1 0 396.329 2.196 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000182301536 532311582 /nfs/dbraw/zinc/31/15/82/532311582.db2.gz RPYYJGXGHSIQEJ-UHFFFAOYSA-N 1 0 382.346 2.442 20 0 GEADRO CC(=O)c1cc(Br)cc(F)c1OCC(=O)NCCC[NH+](C)C ZINC000182355399 532311820 /nfs/dbraw/zinc/31/18/20/532311820.db2.gz AKMNJHJZKUEGKW-UHFFFAOYSA-N 1 0 375.238 2.238 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCc1cc(F)ccc1Br ZINC000182408347 532312982 /nfs/dbraw/zinc/31/29/82/532312982.db2.gz YHSGFRCJYLKDKE-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000182433832 532313308 /nfs/dbraw/zinc/31/33/08/532313308.db2.gz CSROQVVPNRCLPQ-AWEZNQCLSA-N 1 0 377.432 2.236 20 0 GEADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)cn1 ZINC000182580411 532315258 /nfs/dbraw/zinc/31/52/58/532315258.db2.gz LCDAQKLHCHJNPU-QGZVFWFLSA-N 1 0 382.917 2.483 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)o1 ZINC000182650244 532316024 /nfs/dbraw/zinc/31/60/24/532316024.db2.gz HNBYRRPCHSOSRT-NSHDSACASA-N 1 0 384.226 2.358 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)cnc1Br ZINC000182666807 532316298 /nfs/dbraw/zinc/31/62/98/532316298.db2.gz AGOHRIZIOJLOFL-UHFFFAOYSA-N 1 0 385.306 2.326 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cnc1Br ZINC000182681589 532316606 /nfs/dbraw/zinc/31/66/06/532316606.db2.gz IGDVZZNBYWAVGO-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182768107 532317615 /nfs/dbraw/zinc/31/76/15/532317615.db2.gz LKUOKHQTMANKKJ-ZDUSSCGKSA-N 1 0 383.290 2.082 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)n1 ZINC000182811641 532318047 /nfs/dbraw/zinc/31/80/47/532318047.db2.gz YXYVDRQINQGKSD-GJZGRUSLSA-N 1 0 382.302 2.342 20 0 GEADRO CC[NH+](CC)CCCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000182962160 532320296 /nfs/dbraw/zinc/32/02/96/532320296.db2.gz HVSAUYBVUAQGLP-UHFFFAOYSA-N 1 0 384.274 2.242 20 0 GEADRO CC1CC[NH+](CCNC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000183117376 532321504 /nfs/dbraw/zinc/32/15/04/532321504.db2.gz VQYYOJILCRHWKL-UHFFFAOYSA-N 1 0 396.285 2.242 20 0 GEADRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000183113518 532321672 /nfs/dbraw/zinc/32/16/72/532321672.db2.gz NTCFBCNJBZJOIS-MWLCHTKSSA-N 1 0 385.839 2.355 20 0 GEADRO CC1(CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000183333382 532323719 /nfs/dbraw/zinc/32/37/19/532323719.db2.gz BCWPRMBOQRJVSL-ZDUSSCGKSA-N 1 0 394.313 2.308 20 0 GEADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccc(Br)nc2)CCCC1 ZINC000183349042 532323804 /nfs/dbraw/zinc/32/38/04/532323804.db2.gz MJCUUPTUOBIMNY-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000185039473 532336775 /nfs/dbraw/zinc/33/67/75/532336775.db2.gz DTEYTSPZSCCISS-GFCCVEGCSA-N 1 0 398.301 2.115 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000185100467 532336803 /nfs/dbraw/zinc/33/68/03/532336803.db2.gz WPMSGGSBBNPJSH-MRXNPFEDSA-N 1 0 394.313 2.266 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000185100482 532336927 /nfs/dbraw/zinc/33/69/27/532336927.db2.gz WPMSGGSBBNPJSH-INIZCTEOSA-N 1 0 394.313 2.266 20 0 GEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000185231665 532337327 /nfs/dbraw/zinc/33/73/27/532337327.db2.gz ABKWFZSLOLEYCC-UHFFFAOYSA-N 1 0 382.711 2.212 20 0 GEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000185228965 532337346 /nfs/dbraw/zinc/33/73/46/532337346.db2.gz AZMPTZXBIFKJDE-UHFFFAOYSA-N 1 0 383.258 2.442 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000185341520 532337661 /nfs/dbraw/zinc/33/76/61/532337661.db2.gz MBLBWNHOLJHYLI-CYBMUJFWSA-N 1 0 394.368 2.439 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1cccc(Br)c1 ZINC000185634381 532338125 /nfs/dbraw/zinc/33/81/25/532338125.db2.gz CRLXOVQMNPYBDO-CQSZACIVSA-N 1 0 383.334 2.274 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000185678100 532338332 /nfs/dbraw/zinc/33/83/32/532338332.db2.gz YKDGTUGAXVYRCL-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185641257 532338333 /nfs/dbraw/zinc/33/83/33/532338333.db2.gz BJUAFJQQVSWUIP-AWEZNQCLSA-N 1 0 387.249 2.404 20 0 GEADRO CC(C)C[C@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000185644544 532338363 /nfs/dbraw/zinc/33/83/63/532338363.db2.gz TZXWXNPWWGWWOF-OAHLLOKOSA-N 1 0 384.318 2.271 20 0 GEADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000185926721 532338954 /nfs/dbraw/zinc/33/89/54/532338954.db2.gz REUPAVXALYUMEN-CQSZACIVSA-N 1 0 394.313 2.300 20 0 GEADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000185912157 532339077 /nfs/dbraw/zinc/33/90/77/532339077.db2.gz TYEOVWFFSBIZES-QGZVFWFLSA-N 1 0 380.897 2.071 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(I)c1 ZINC000186204381 532340135 /nfs/dbraw/zinc/34/01/35/532340135.db2.gz MOUQCCYGNPFSCO-GFCCVEGCSA-N 1 0 394.278 2.054 20 0 GEADRO CC(C)(CC(N)=O)[NH2+]CCCOc1cccc(I)c1 ZINC000186235356 532340221 /nfs/dbraw/zinc/34/02/21/532340221.db2.gz QFFWHRYYOGNNFI-UHFFFAOYSA-N 1 0 376.238 2.304 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000186306080 532340537 /nfs/dbraw/zinc/34/05/37/532340537.db2.gz YCYUDLCWUFCCJD-UHFFFAOYSA-N 1 0 385.917 2.020 20 0 GEADRO COc1cc(C[NH2+]Cc2cncc(Br)c2)ccc1OCC(N)=O ZINC000186609013 532341415 /nfs/dbraw/zinc/34/14/15/532341415.db2.gz GVKMQZJGHHSFBE-UHFFFAOYSA-N 1 0 380.242 2.007 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186777398 532341925 /nfs/dbraw/zinc/34/19/25/532341925.db2.gz VOXZZQAIUMCLMB-MAZHCROVSA-N 1 0 383.945 2.306 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000186810421 532341991 /nfs/dbraw/zinc/34/19/91/532341991.db2.gz LYVFZUIWAZHEAQ-INIZCTEOSA-N 1 0 394.313 2.355 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000186822419 532342096 /nfs/dbraw/zinc/34/20/96/532342096.db2.gz LZEOCBOQPVHQSZ-UHFFFAOYSA-N 1 0 387.571 2.431 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000186846039 532342131 /nfs/dbraw/zinc/34/21/31/532342131.db2.gz ZTWOPLSRTQCWGY-XHDPSFHLSA-N 1 0 387.933 2.145 20 0 GEADRO CN(Cc1nnnn1-c1ccccc1Br)CC1([NH+](C)C)CCC1 ZINC000186954842 532342892 /nfs/dbraw/zinc/34/28/92/532342892.db2.gz FDRNWSCDVDFHPE-UHFFFAOYSA-N 1 0 379.306 2.341 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNCc2cccc(Cl)c2S(=O)(=O)CC)CC1 ZINC000187123452 532343291 /nfs/dbraw/zinc/34/32/91/532343291.db2.gz OBMNAMBWONHGFR-HNNXBMFYSA-N 1 0 387.977 2.249 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@@H+]1C ZINC000183671020 532327382 /nfs/dbraw/zinc/32/73/82/532327382.db2.gz LKZCFMPAZVOORT-WDEREUQCSA-N 1 0 396.285 2.335 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183751928 532328716 /nfs/dbraw/zinc/32/87/16/532328716.db2.gz LBHFGTNCLNSNHJ-LLVKDONJSA-N 1 0 396.285 2.336 20 0 GEADRO O=C1[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)CCN1CC(F)(F)F ZINC000183888234 532329572 /nfs/dbraw/zinc/32/95/72/532329572.db2.gz RRPZTXLCADAPEV-VXGBXAGGSA-N 1 0 381.192 2.235 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)CCSc1ccccc1Br ZINC000183989771 532330616 /nfs/dbraw/zinc/33/06/16/532330616.db2.gz YBSVWZNEVBSLCK-UHFFFAOYSA-N 1 0 375.332 2.362 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000187211119 532343554 /nfs/dbraw/zinc/34/35/54/532343554.db2.gz WAXZXSKNTKHSMJ-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO Cc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(Br)n1 ZINC000184542575 532333421 /nfs/dbraw/zinc/33/34/21/532333421.db2.gz BNMYDQAMWZDJNU-ZDUSSCGKSA-N 1 0 384.322 2.300 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000184639912 532334072 /nfs/dbraw/zinc/33/40/72/532334072.db2.gz KAKSTOZWFCKAJF-UHFFFAOYSA-N 1 0 398.301 2.307 20 0 GEADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]21 ZINC000185035214 532336513 /nfs/dbraw/zinc/33/65/13/532336513.db2.gz QVWNQTHRECKCRV-XZJROXQQSA-N 1 0 375.270 2.444 20 0 GEADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000187842760 532345733 /nfs/dbraw/zinc/34/57/33/532345733.db2.gz DIBYVOIDDYHGDB-JKSUJKDBSA-N 1 0 393.285 2.204 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000188208663 532347403 /nfs/dbraw/zinc/34/74/03/532347403.db2.gz DHYWRTDEEAHHHK-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000188690679 532349274 /nfs/dbraw/zinc/34/92/74/532349274.db2.gz RGCKPNSEYZWGMQ-CMPLNLGQSA-N 1 0 380.773 2.102 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188704602 532349278 /nfs/dbraw/zinc/34/92/78/532349278.db2.gz CSGYXTNIZLQDCF-GFCCVEGCSA-N 1 0 387.293 2.434 20 0 GEADRO C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1CC(C)(C)O ZINC000188897475 532350143 /nfs/dbraw/zinc/35/01/43/532350143.db2.gz WTQZZPVNXJLUKN-CYBMUJFWSA-N 1 0 399.329 2.497 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000188962216 532350359 /nfs/dbraw/zinc/35/03/59/532350359.db2.gz IUVMYOKQNOIWGV-LLVKDONJSA-N 1 0 390.347 2.429 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000189114030 532350997 /nfs/dbraw/zinc/35/09/97/532350997.db2.gz ZXZZQXXHPYTLCE-ZDUSSCGKSA-N 1 0 394.368 2.439 20 0 GEADRO C[C@H](O)C[NH+]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000189298390 532351694 /nfs/dbraw/zinc/35/16/94/532351694.db2.gz UXSZZBIMANFNDY-AWEZNQCLSA-N 1 0 391.313 2.405 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000189412282 532352016 /nfs/dbraw/zinc/35/20/16/532352016.db2.gz RAGXCQZAAHCTNW-NSHDSACASA-N 1 0 399.289 2.369 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccccc3Br)o2)[C@@H](C)C1 ZINC000189563341 532352781 /nfs/dbraw/zinc/35/27/81/532352781.db2.gz RIKRLMPUTRYVQW-QWHCGFSZSA-N 1 0 395.301 2.386 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000189767955 532353609 /nfs/dbraw/zinc/35/36/09/532353609.db2.gz POBQNSCYSVJJCU-UHFFFAOYSA-N 1 0 387.311 2.028 20 0 GEADRO COCCC[N@H+](CCO)CCC(=O)Nc1ccc(Br)cc1F ZINC000189914385 532354035 /nfs/dbraw/zinc/35/40/35/532354035.db2.gz HIEMDLFDPLMPHO-UHFFFAOYSA-N 1 0 377.254 2.248 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000190073777 532354621 /nfs/dbraw/zinc/35/46/21/532354621.db2.gz XMQOHSCXKJZSGX-JSGCOSHPSA-N 1 0 380.286 2.391 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1Br ZINC000190083781 532354783 /nfs/dbraw/zinc/35/47/83/532354783.db2.gz XZDJNNMACODKDK-GXTWGEPZSA-N 1 0 380.286 2.391 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000190100466 532354813 /nfs/dbraw/zinc/35/48/13/532354813.db2.gz AAKKKFCNESMDIJ-ZYHUDNBSSA-N 1 0 384.249 2.222 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000190085578 532354826 /nfs/dbraw/zinc/35/48/26/532354826.db2.gz CHRYLTKSNQTJFV-WDEREUQCSA-N 1 0 384.249 2.222 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1Br ZINC000190102105 532354892 /nfs/dbraw/zinc/35/48/92/532354892.db2.gz COHIEJLDLNCKDK-JSGCOSHPSA-N 1 0 380.286 2.391 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC1CC(O)C1 ZINC000190114221 532354974 /nfs/dbraw/zinc/35/49/74/532354974.db2.gz UJCPZCKRFQWJDM-IFQILLTASA-N 1 0 388.249 2.321 20 0 GEADRO Cc1cccc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1Br ZINC000190499599 532356343 /nfs/dbraw/zinc/35/63/43/532356343.db2.gz RXHJMIXXVPRDRI-UONOGXRCSA-N 1 0 384.318 2.354 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc(C)c1Br ZINC000190598406 532356935 /nfs/dbraw/zinc/35/69/35/532356935.db2.gz OYMIFHZDAADTMZ-CQSZACIVSA-N 1 0 380.286 2.311 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000190658983 532357343 /nfs/dbraw/zinc/35/73/43/532357343.db2.gz RSZIQWATINSLBF-ZIAGYGMSSA-N 1 0 390.933 2.326 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000190689875 532357477 /nfs/dbraw/zinc/35/74/77/532357477.db2.gz AWONAUGKPOJQLK-CYBMUJFWSA-N 1 0 387.933 2.237 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000190841407 532358272 /nfs/dbraw/zinc/35/82/72/532358272.db2.gz WVTANWBWRDCSMT-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000190910065 532358713 /nfs/dbraw/zinc/35/87/13/532358713.db2.gz MDGWYUJIKKBEII-ZDUSSCGKSA-N 1 0 394.368 2.439 20 0 GEADRO CN(CC(F)(F)F)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000191073343 532359512 /nfs/dbraw/zinc/35/95/12/532359512.db2.gz ADNNLAZZNITNBS-UHFFFAOYSA-N 1 0 381.782 2.240 20 0 GEADRO C[C@H]1CN(C(=O)NCc2ccc(Br)s2)CC[N@@H+]1CC(C)(C)O ZINC000187521756 532344723 /nfs/dbraw/zinc/34/47/23/532344723.db2.gz MOUWRHKMGFFISC-NSHDSACASA-N 1 0 390.347 2.497 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000187553512 532344795 /nfs/dbraw/zinc/34/47/95/532344795.db2.gz OCHOXVMDGMUTLJ-QGZVFWFLSA-N 1 0 390.933 2.110 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(cc1Br)OCO2 ZINC000621913494 532372020 /nfs/dbraw/zinc/37/20/20/532372020.db2.gz QPFQWAFWNUHZBP-LBPRGKRZSA-N 1 0 397.269 2.161 20 0 GEADRO CC(C)(C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@]1(O)CCOC1 ZINC000647246263 532372252 /nfs/dbraw/zinc/37/22/52/532372252.db2.gz AYUYGOAZAOYQMY-KRWDZBQOSA-N 1 0 386.286 2.488 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)C1 ZINC000647266299 532373610 /nfs/dbraw/zinc/37/36/10/532373610.db2.gz LVYIFVHKCKBWID-MNOVXSKESA-N 1 0 386.315 2.299 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000278199423 532373752 /nfs/dbraw/zinc/37/37/52/532373752.db2.gz VEAHCLNGYIKKHR-LLVKDONJSA-N 1 0 382.302 2.333 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1c(Cl)cccc1Br ZINC000621959734 532373858 /nfs/dbraw/zinc/37/38/58/532373858.db2.gz DDPBUYKBTPWXDR-OAHLLOKOSA-N 1 0 377.710 2.464 20 0 GEADRO OC[C@@H](CN1CCCCC1)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000647535778 532374680 /nfs/dbraw/zinc/37/46/80/532374680.db2.gz LTXMOUBJUFFZTF-KGLIPLIRSA-N 1 0 377.312 2.170 20 0 GEADRO C[C@H]1CN(C(=O)c2cc3c(cc2Br)OCO3)CC[N@@H+]1CC(C)(C)O ZINC000621966052 532374999 /nfs/dbraw/zinc/37/49/99/532374999.db2.gz NITUOSRQHSOHNC-NSHDSACASA-N 1 0 399.285 2.095 20 0 GEADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647531617 532375299 /nfs/dbraw/zinc/37/52/99/532375299.db2.gz LLXFRVFHLOEKLY-HWWQOWPSSA-N 1 0 380.312 2.481 20 0 GEADRO C[C@@H](CNC(=O)c1[nH]nc2ccc(I)cc21)[N@H+](C)C1CC1 ZINC000463478894 532376561 /nfs/dbraw/zinc/37/65/61/532376561.db2.gz NZKPDJUWUXJUAV-VIFPVBQESA-N 1 0 398.248 2.380 20 0 GEADRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191696894 532362172 /nfs/dbraw/zinc/36/21/72/532362172.db2.gz UMQIGCPHCWCXTD-UHFFFAOYSA-N 1 0 398.345 2.490 20 0 GEADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1[nH]c2ccccc2c1Br ZINC000294505823 532362385 /nfs/dbraw/zinc/36/23/85/532362385.db2.gz DCOGZHKOSHCUHR-BXUZGUMPSA-N 1 0 380.286 2.458 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC(C)([NH3+])CC3)s2)CC1 ZINC000646991463 532363930 /nfs/dbraw/zinc/36/39/30/532363930.db2.gz AXGNIRRIAFZWMV-UHFFFAOYSA-N 1 0 385.555 2.122 20 0 GEADRO CCc1nnc(CS[C@H](C)C(=O)N2CCN(c3ccccn3)CC2)s1 ZINC000589973478 532364237 /nfs/dbraw/zinc/36/42/37/532364237.db2.gz GKRFHTLVDZQQKY-CYBMUJFWSA-N 1 0 377.539 2.466 20 0 GEADRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000621661195 532364479 /nfs/dbraw/zinc/36/44/79/532364479.db2.gz IVTHDXRVUGBLIA-DYVFJYSZSA-N 1 0 394.313 2.228 20 0 GEADRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000621661197 532364992 /nfs/dbraw/zinc/36/49/92/532364992.db2.gz IVTHDXRVUGBLIA-SUMWQHHRSA-N 1 0 394.313 2.228 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000371962243 532365460 /nfs/dbraw/zinc/36/54/60/532365460.db2.gz KHNDSAFQAVIZAG-GFCCVEGCSA-N 1 0 384.249 2.223 20 0 GEADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C2 ZINC000621699650 532366519 /nfs/dbraw/zinc/36/65/19/532366519.db2.gz ACQQHYNKGOFOMW-PWXKEOIMSA-N 1 0 380.286 2.262 20 0 GEADRO CNC(=O)CCCC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425099489 532366632 /nfs/dbraw/zinc/36/66/32/532366632.db2.gz PKIQLSQIQUMVBD-UHFFFAOYSA-N 1 0 399.333 2.302 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1csc(-c2cc(Br)cs2)n1 ZINC000647086555 532366972 /nfs/dbraw/zinc/36/69/72/532366972.db2.gz BMWOYIDLEVIVJJ-VIFPVBQESA-N 1 0 388.312 2.352 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)C[C@@H]1C ZINC000677182045 532367834 /nfs/dbraw/zinc/36/78/34/532367834.db2.gz BBXUOLFDFFBYOK-QWRGUYRKSA-N 1 0 388.331 2.182 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000557538963 532368242 /nfs/dbraw/zinc/36/82/42/532368242.db2.gz RFCWRCUCDUKTDZ-CZUORRHYSA-N 1 0 381.929 2.408 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2c(Cl)cccc2Cl)C1 ZINC000590316989 532368448 /nfs/dbraw/zinc/36/84/48/532368448.db2.gz KHPZAEMWOKUEJD-GFCCVEGCSA-N 1 0 388.295 2.076 20 0 GEADRO CC[NH+]1CCC(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000557589035 532369345 /nfs/dbraw/zinc/36/93/45/532369345.db2.gz HSQJQJKXNHIIRN-UHFFFAOYSA-N 1 0 398.330 2.413 20 0 GEADRO O=S(=O)(CC(F)(F)F)c1ccc(Cc2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000647149150 532370439 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COC(=O)c1coc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000372231911 532378911 /nfs/dbraw/zinc/37/89/11/532378911.db2.gz OJIRFGLFWBMPGA-ABAIWWIYSA-N 1 0 384.479 2.099 20 0 GEADRO CC(C)(CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)[NH+]1CCCCC1 ZINC000463636911 532378957 /nfs/dbraw/zinc/37/89/57/532378957.db2.gz UPIAUMFPEMDUON-UHFFFAOYSA-N 1 0 378.420 2.481 20 0 GEADRO CC(C)[C@@H](C(=O)N(CCO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC000677591560 532379494 /nfs/dbraw/zinc/37/94/94/532379494.db2.gz NPFCTAIMURAECR-HNNXBMFYSA-N 1 0 375.282 2.495 20 0 GEADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000677694750 532380231 /nfs/dbraw/zinc/38/02/31/532380231.db2.gz LTZIQKZADBBISK-ZDUSSCGKSA-N 1 0 385.917 2.210 20 0 GEADRO C[C@H](Sc1nncn1C)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000647697263 532380569 /nfs/dbraw/zinc/38/05/69/532380569.db2.gz KTNMXWUFPOMLNA-GXTWGEPZSA-N 1 0 381.933 2.411 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)C1(c2ccc(Br)cc2)CCC1 ZINC000647711915 532380767 /nfs/dbraw/zinc/38/07/67/532380767.db2.gz KYZBQCZUXYAHGC-MRXNPFEDSA-N 1 0 381.314 2.444 20 0 GEADRO COc1cc2[nH+]ccc(N[C@H](CO)c3ccnn3C)c2cc1Br ZINC000425273814 532381589 /nfs/dbraw/zinc/38/15/89/532381589.db2.gz YTPQANICRJKEHX-CQSZACIVSA-N 1 0 377.242 2.307 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000463749411 532381763 /nfs/dbraw/zinc/38/17/63/532381763.db2.gz MVSDFEICWDFZNO-QGZVFWFLSA-N 1 0 381.567 2.137 20 0 GEADRO CN1Cc2ccccc2[C@H](NC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000372297145 532381918 /nfs/dbraw/zinc/38/19/18/532381918.db2.gz YTUAMYLDLFDOGI-CYBMUJFWSA-N 1 0 392.253 2.075 20 0 GEADRO C[N@H+](CC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCSC1 ZINC000558035887 532382156 /nfs/dbraw/zinc/38/21/56/532382156.db2.gz MWYNEMNSEMREEY-BXUZGUMPSA-N 1 0 391.306 2.175 20 0 GEADRO O=c1cc(C[NH+]2CCC3(CCOC3)CC2)nc2ccc(Br)cn12 ZINC000677718568 532382337 /nfs/dbraw/zinc/38/23/37/532382337.db2.gz DYFYJMTYLPMAOC-UHFFFAOYSA-N 1 0 378.270 2.460 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1cc(Cl)c(Br)cc1OC ZINC000516183996 532382858 /nfs/dbraw/zinc/38/28/58/532382858.db2.gz FIKQZPDCALMRRL-UHFFFAOYSA-N 1 0 379.682 2.419 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000192059547 532382973 /nfs/dbraw/zinc/38/29/73/532382973.db2.gz KITHJAYOEDVFOW-GHMZBOCLSA-N 1 0 391.331 2.101 20 0 GEADRO Cn1nc(Br)cc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000192066434 532383191 /nfs/dbraw/zinc/38/31/91/532383191.db2.gz LCFJNQFIHMJIMD-UHFFFAOYSA-N 1 0 377.286 2.361 20 0 GEADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)s1 ZINC000463799420 532383747 /nfs/dbraw/zinc/38/37/47/532383747.db2.gz XHEGZISLFAGQMU-WDEREUQCSA-N 1 0 388.331 2.070 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372311440 532383855 /nfs/dbraw/zinc/38/38/55/532383855.db2.gz JSGLBARNXJXEPB-QAPCUYQASA-N 1 0 385.961 2.128 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ncc1Br ZINC000278511639 532383984 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Brc1ccccc1-n1nnnc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903505 532384893 /nfs/dbraw/zinc/38/48/93/532384893.db2.gz KWKVHEOLEMXSOZ-DZGCQCFKSA-N 1 0 391.317 2.389 20 0 GEADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000516286478 532385038 /nfs/dbraw/zinc/38/50/38/532385038.db2.gz SRJFZXKLNSYVLL-TVYUQYBPSA-N 1 0 395.257 2.053 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000516276812 532385047 /nfs/dbraw/zinc/38/50/47/532385047.db2.gz MTUXNHWEKQGAAT-QGZVFWFLSA-N 1 0 386.945 2.006 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccc(Cl)s1 ZINC000372325907 532385766 /nfs/dbraw/zinc/38/57/66/532385766.db2.gz REKQPBXZFDBUAT-OLZOCXBDSA-N 1 0 393.962 2.094 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC000648129240 532386583 /nfs/dbraw/zinc/38/65/83/532386583.db2.gz PSAXSDQRPMHIFY-SSDOTTSWSA-N 1 0 392.179 2.126 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)N1CCNC(=O)[C@H]1c1cccs1)c1cccs1 ZINC000463958926 532387117 /nfs/dbraw/zinc/38/71/17/532387117.db2.gz RORXERJZWKTCRN-SWLSCSKDSA-N 1 0 378.523 2.295 20 0 GEADRO CSCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000590782034 532387307 /nfs/dbraw/zinc/38/73/07/532387307.db2.gz KOYRFMQHLRMTMR-UHFFFAOYSA-N 1 0 385.917 2.231 20 0 GEADRO Fc1cc(Br)cnc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000623372262 532387850 /nfs/dbraw/zinc/38/78/50/532387850.db2.gz MDIXENZCJBSDTR-OAHLLOKOSA-N 1 0 390.322 2.281 20 0 GEADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCO1 ZINC000279132424 532388593 /nfs/dbraw/zinc/38/85/93/532388593.db2.gz WFPAHZRNLLMUAO-JKSUJKDBSA-N 1 0 385.302 2.191 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000425678991 532389416 /nfs/dbraw/zinc/38/94/16/532389416.db2.gz YDTSJLJYRQNGGM-LBPRGKRZSA-N 1 0 396.289 2.017 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000590859766 532390162 /nfs/dbraw/zinc/39/01/62/532390162.db2.gz QAGFYTMSWZHSIG-CABCVRRESA-N 1 0 381.318 2.421 20 0 GEADRO CN(C(=O)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1nccs1 ZINC000192158179 532391028 /nfs/dbraw/zinc/39/10/28/532391028.db2.gz QYLOFTYCQSCRLJ-CZUORRHYSA-N 1 0 378.885 2.321 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1cc(F)c(Br)cc1F ZINC000623910494 532391047 /nfs/dbraw/zinc/39/10/47/532391047.db2.gz QRUWWOFNEUSVPO-VHSXEESVSA-N 1 0 377.229 2.361 20 0 GEADRO [NH3+][C@@H]1C[C@@H]2CN(Cc3ccc(Br)cc3C(F)(F)F)CCN2C1=O ZINC000516785809 532391514 /nfs/dbraw/zinc/39/15/14/532391514.db2.gz WYMWSYZBFGNBSA-DGCLKSJQSA-N 1 0 392.219 2.212 20 0 GEADRO C[C@](O)(C[NH2+]Cc1ccc(Br)c(Cl)c1)CN1CCOCC1 ZINC000192180489 532391993 /nfs/dbraw/zinc/39/19/93/532391993.db2.gz AUKPEWLGYFJNLF-HNNXBMFYSA-N 1 0 377.710 2.275 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000372439463 532392293 /nfs/dbraw/zinc/39/22/93/532392293.db2.gz UFYMYJOAXCEJHR-CHWFTXMASA-N 1 0 386.315 2.110 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C ZINC000425746489 532392869 /nfs/dbraw/zinc/39/28/69/532392869.db2.gz UHTYTMHXOCVISH-KOLCDFICSA-N 1 0 375.803 2.479 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000294956067 532393147 /nfs/dbraw/zinc/39/31/47/532393147.db2.gz OLOTXMILDFVSST-UHFFFAOYSA-N 1 0 390.272 2.295 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C(=O)N(C)C1CC1 ZINC000425765574 532394172 /nfs/dbraw/zinc/39/41/72/532394172.db2.gz IVXRABHANJBEFG-UHFFFAOYSA-N 1 0 397.317 2.006 20 0 GEADRO COCC[NH2+]CCNS(=O)(=O)c1ccc2ccccc2c1Br ZINC000516867339 532394625 /nfs/dbraw/zinc/39/46/25/532394625.db2.gz SGFIORYQCBQNLP-UHFFFAOYSA-N 1 0 387.299 2.117 20 0 GEADRO CN(C(=O)NCC[C@H]1CCC[NH2+]C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000516857157 532394777 /nfs/dbraw/zinc/39/47/77/532394777.db2.gz OGBJLHMMHKPJEE-DOMZBBRYSA-N 1 0 385.917 2.200 20 0 GEADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000648447869 532398702 /nfs/dbraw/zinc/39/87/02/532398702.db2.gz MYYPPBWXUBHNPW-AEFFLSMTSA-N 1 0 385.961 2.143 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)NCc2ccc(S(=O)(=O)CC)s2)CC1 ZINC000279627848 532397142 /nfs/dbraw/zinc/39/71/42/532397142.db2.gz VIDCQXLHVJISLE-UHFFFAOYSA-N 1 0 387.571 2.463 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000516926774 532397463 /nfs/dbraw/zinc/39/74/63/532397463.db2.gz KUAGBHHUMPOEMC-NEPJUHHUSA-N 1 0 382.507 2.484 20 0 GEADRO COC(=O)C[C@]1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCOC1 ZINC000464593852 532400363 /nfs/dbraw/zinc/40/03/63/532400363.db2.gz PEXZLQDTCYZLTD-BLLLJJGKSA-N 1 0 378.252 2.045 20 0 GEADRO C[C@H]([C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000516964864 532400881 /nfs/dbraw/zinc/40/08/81/532400881.db2.gz AENXBYFNUHWHAX-GZBFAFLISA-N 1 0 377.312 2.432 20 0 GEADRO Cc1ccc(Br)c(C)c1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000559450340 532403278 /nfs/dbraw/zinc/40/32/78/532403278.db2.gz OGMWJYKORJJAFM-CQSZACIVSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000517026708 532403452 /nfs/dbraw/zinc/40/34/52/532403452.db2.gz GEGDYZVTRJASLE-SNVBAGLBSA-N 1 0 380.495 2.261 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)s1 ZINC000591151280 532401733 /nfs/dbraw/zinc/40/17/33/532401733.db2.gz DWHGAVRBINVRNL-UHFFFAOYSA-N 1 0 385.555 2.124 20 0 GEADRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000192535171 532403954 /nfs/dbraw/zinc/40/39/54/532403954.db2.gz WMPLSZCXCOYKBC-ZLDLUXBVSA-N 1 0 391.249 2.046 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]CCCCS(C)(=O)=O ZINC000679422550 532404057 /nfs/dbraw/zinc/40/40/57/532404057.db2.gz IZKPNHBYBLHBRN-UHFFFAOYSA-N 1 0 379.320 2.416 20 0 GEADRO COC(=O)c1cc(NC(=O)NC[C@H]([NH3+])C(C)C)c(Br)cc1F ZINC000591287321 532404209 /nfs/dbraw/zinc/40/42/09/532404209.db2.gz NGKBYXPOSKCFEV-NSHDSACASA-N 1 0 376.226 2.480 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c(Br)cc1F ZINC000591287214 532404323 /nfs/dbraw/zinc/40/43/23/532404323.db2.gz DCSQZQZAEIFTEN-VIFPVBQESA-N 1 0 398.179 2.479 20 0 GEADRO CCS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000464770197 532404335 /nfs/dbraw/zinc/40/43/35/532404335.db2.gz FQLNEDJFKCEWGX-CABCVRRESA-N 1 0 385.555 2.269 20 0 GEADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)(C)O ZINC000295108743 532404709 /nfs/dbraw/zinc/40/47/09/532404709.db2.gz XAUSHYTZDGKKQF-TVQRCGJNSA-N 1 0 379.320 2.297 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000591282975 532404783 /nfs/dbraw/zinc/40/47/83/532404783.db2.gz ZFZCHJSRWHENCG-AWEZNQCLSA-N 1 0 389.949 2.053 20 0 GEADRO CCC[NH2+]CCNC(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC000591287249 532404885 /nfs/dbraw/zinc/40/48/85/532404885.db2.gz HJTCSCNCXRVUQS-UHFFFAOYSA-N 1 0 376.226 2.496 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000372723706 532404971 /nfs/dbraw/zinc/40/49/71/532404971.db2.gz HTLRRSQLXRVEHB-SNVBAGLBSA-N 1 0 391.331 2.356 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)Nc1cccc(Br)c1 ZINC000464797374 532405459 /nfs/dbraw/zinc/40/54/59/532405459.db2.gz FIKJTHXTBDXRHR-QGZVFWFLSA-N 1 0 380.286 2.380 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(I)c(F)cc3F)C[C@H]2C1 ZINC000192509576 532405617 /nfs/dbraw/zinc/40/56/17/532405617.db2.gz HMSZRCNEXSYJOV-DTORHVGOSA-N 1 0 392.187 2.203 20 0 GEADRO CN(C)c1nc(-c2ccccc2)c(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)s1 ZINC000372746790 532406734 /nfs/dbraw/zinc/40/67/34/532406734.db2.gz VGFGZRPRUVSZNF-AWEZNQCLSA-N 1 0 380.539 2.129 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000192723457 532406824 /nfs/dbraw/zinc/40/68/24/532406824.db2.gz AFAOERXWHHTURN-CQSZACIVSA-N 1 0 391.940 2.172 20 0 GEADRO C[N@H+](CC(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F)[C@H]1CCSC1 ZINC000679693619 532407304 /nfs/dbraw/zinc/40/73/04/532407304.db2.gz TVTOQGZQLUNGGH-LSDHHAIUSA-N 1 0 376.444 2.376 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccsc2Br)CC1 ZINC000648902666 532407596 /nfs/dbraw/zinc/40/75/96/532407596.db2.gz RVZMJRFUNSVSIF-LBPRGKRZSA-N 1 0 386.315 2.065 20 0 GEADRO Cc1sc2ncnc(SCCC(=O)NC[C@@H]3C[NH2+]CCCO3)c2c1C ZINC000517216367 532407756 /nfs/dbraw/zinc/40/77/56/532407756.db2.gz WLABPBWBCYUJRI-ZDUSSCGKSA-N 1 0 380.539 2.285 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)sc1Cl ZINC000372761527 532406382 /nfs/dbraw/zinc/40/63/82/532406382.db2.gz ZMWJURWLATUDFU-ZIAGYGMSSA-N 1 0 391.990 2.356 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(F)cc1I)[C@H]1CN(C)CCO1 ZINC000591356027 532410265 /nfs/dbraw/zinc/41/02/65/532410265.db2.gz IKCCXLUTXNIIDC-IINYFYTJSA-N 1 0 378.229 2.239 20 0 GEADRO [NH3+]C/C=C/CNC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000591360979 532410493 /nfs/dbraw/zinc/41/04/93/532410493.db2.gz SLHRYZIIVFADHQ-YUKKFKLSSA-N 1 0 399.276 2.380 20 0 GEADRO Cc1cccc(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1Br ZINC000625113403 532408961 /nfs/dbraw/zinc/40/89/61/532408961.db2.gz NHMWBOGOOJHAIF-HNNXBMFYSA-N 1 0 396.329 2.004 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(c3ncnc4ccc(I)cc43)C[C@H]12 ZINC000591434901 532411257 /nfs/dbraw/zinc/41/12/57/532411257.db2.gz LEFJWAKSUOJSFU-JIMOISOXSA-N 1 0 380.233 2.408 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1Br ZINC000427088696 532411777 /nfs/dbraw/zinc/41/17/77/532411777.db2.gz VFWWKRLINKIGJY-UHFFFAOYSA-N 1 0 398.301 2.233 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(c3ncnc4ccc(I)cc43)C[C@@H]12 ZINC000591434904 532411853 /nfs/dbraw/zinc/41/18/53/532411853.db2.gz LEFJWAKSUOJSFU-ZWKOPEQDSA-N 1 0 380.233 2.408 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000372834619 532412295 /nfs/dbraw/zinc/41/22/95/532412295.db2.gz BIBYWHMFSQVTGU-UHFFFAOYSA-N 1 0 385.917 2.412 20 0 GEADRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(C)C ZINC000591413700 532410810 /nfs/dbraw/zinc/41/08/10/532410810.db2.gz WUEXBUOQMFROJZ-INIZCTEOSA-N 1 0 376.906 2.445 20 0 GEADRO C[N@H+](CCNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C1CCCC1 ZINC000591398390 532410976 /nfs/dbraw/zinc/41/09/76/532410976.db2.gz GSZJWEHBEYLIFG-UHFFFAOYSA-N 1 0 385.917 2.377 20 0 GEADRO C[C@H](CN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[N@H+](C)C1CC1 ZINC000280573890 532414682 /nfs/dbraw/zinc/41/46/82/532414682.db2.gz KQAVENSTVYLZAG-MNOVXSKESA-N 1 0 390.347 2.230 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000192823134 532413605 /nfs/dbraw/zinc/41/36/05/532413605.db2.gz XORHTUIDBQYLCU-UHFFFAOYSA-N 1 0 380.286 2.087 20 0 GEADRO C[N@H+](CCNC(=O)N1CCN(c2cccc(Br)c2)CC1)C1CC1 ZINC000560106451 532415284 /nfs/dbraw/zinc/41/52/84/532415284.db2.gz LNUSSVXJJWDGLM-UHFFFAOYSA-N 1 0 381.318 2.375 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000193005119 532416635 /nfs/dbraw/zinc/41/66/35/532416635.db2.gz ZPMWYGPDUXRYOV-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ncccc2Br)CC1 ZINC000193039848 532418620 /nfs/dbraw/zinc/41/86/20/532418620.db2.gz BNVCVUYPWJQUJP-HUUCEWRRSA-N 1 0 395.345 2.475 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCC[N@@H+](C)C3)nc12 ZINC000680555703 532417693 /nfs/dbraw/zinc/41/76/93/532417693.db2.gz WVVDLEUDPNKHHW-CYBMUJFWSA-N 1 0 380.290 2.299 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc2c(cncc2Br)s1 ZINC000649216340 532418142 /nfs/dbraw/zinc/41/81/42/532418142.db2.gz NQHGIPDVOOFHGL-HNNXBMFYSA-N 1 0 386.315 2.491 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1 ZINC000193332299 532420824 /nfs/dbraw/zinc/42/08/24/532420824.db2.gz SYYFWLXGPIPWML-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO O=C(COc1cccc(I)c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000591681128 532419406 /nfs/dbraw/zinc/41/94/06/532419406.db2.gz RVKXLMRXLFZLQC-LBPRGKRZSA-N 1 0 388.249 2.176 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000295207546 532419477 /nfs/dbraw/zinc/41/94/77/532419477.db2.gz PSGBVEZCZONWBB-SNVBAGLBSA-N 1 0 376.247 2.134 20 0 GEADRO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000280966642 532419569 /nfs/dbraw/zinc/41/95/69/532419569.db2.gz HNFJWMNWUKVXAO-DZKIICNBSA-N 1 0 384.567 2.483 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CC2(S(C)(=O)=O)CC2)cc1 ZINC000280959965 532419599 /nfs/dbraw/zinc/41/95/99/532419599.db2.gz KLJFYFGBLCFLAQ-IRXDYDNUSA-N 1 0 385.551 2.247 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N(C)CCC[NH3+] ZINC000591679017 532420001 /nfs/dbraw/zinc/42/00/01/532420001.db2.gz NLHOMWNSDXHWSE-UHFFFAOYSA-N 1 0 382.629 2.374 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000193332222 532420643 /nfs/dbraw/zinc/42/06/43/532420643.db2.gz ARRRZFARJCBRCX-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000281467194 532423231 /nfs/dbraw/zinc/42/32/31/532423231.db2.gz GDFOWYZFKWLSJV-UHFFFAOYSA-N 1 0 375.922 2.181 20 0 GEADRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281150112 532421364 /nfs/dbraw/zinc/42/13/64/532421364.db2.gz OXUUEPFZCBOZNS-MJVIPROJSA-N 1 0 391.331 2.298 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000591766249 532421538 /nfs/dbraw/zinc/42/15/38/532421538.db2.gz PLNGNMAHNHNKIA-TVQRCGJNSA-N 1 0 376.222 2.316 20 0 GEADRO COC[C@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000281244648 532422226 /nfs/dbraw/zinc/42/22/26/532422226.db2.gz WRCOPMVPEPGGBJ-RNCFNFMXSA-N 1 0 377.304 2.172 20 0 GEADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000517719818 532424129 /nfs/dbraw/zinc/42/41/29/532424129.db2.gz YNXCSKOXFHJEJI-BETUJISGSA-N 1 0 377.286 2.334 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)C1 ZINC000193387172 532424539 /nfs/dbraw/zinc/42/45/39/532424539.db2.gz AIJKAWCTSDPZSD-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)CC(F)(F)F)c1 ZINC000560810803 532425451 /nfs/dbraw/zinc/42/54/51/532425451.db2.gz RCTPVDCCELUDTD-UHFFFAOYSA-N 1 0 381.420 2.198 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000625420473 532425454 /nfs/dbraw/zinc/42/54/54/532425454.db2.gz GDHFJXPRHICSBD-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO Cn1ncc(Cl)c1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000466388956 532425449 /nfs/dbraw/zinc/42/54/49/532425449.db2.gz AZJIXVKCKKNQFH-UHFFFAOYSA-N 1 0 377.297 2.185 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000625419008 532426051 /nfs/dbraw/zinc/42/60/51/532426051.db2.gz DAVSOCOCNLKDHJ-UHFFFAOYSA-N 1 0 377.432 2.439 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000193534576 532426361 /nfs/dbraw/zinc/42/63/61/532426361.db2.gz VELLLGKCOPXOFZ-OBJOEFQTSA-N 1 0 380.286 2.059 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)N(C)Cc1cccc(Br)c1)C1CC1 ZINC000561015633 532427177 /nfs/dbraw/zinc/42/71/77/532427177.db2.gz RTASTALWLCRTLY-UHFFFAOYSA-N 1 0 382.302 2.008 20 0 GEADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000625455145 532429457 /nfs/dbraw/zinc/42/94/57/532429457.db2.gz KFXPWNINPYINKU-GFCCVEGCSA-N 1 0 375.416 2.080 20 0 GEADRO C[C@@H]([NH2+]CCc1cn(C)nn1)c1ccc(Br)cc1OCCCO ZINC000625442860 532429972 /nfs/dbraw/zinc/42/99/72/532429972.db2.gz NULQXPYEGZHYFK-GFCCVEGCSA-N 1 0 383.290 2.232 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000193698512 532430763 /nfs/dbraw/zinc/43/07/63/532430763.db2.gz NYDYYYIHBMDJJU-LBPRGKRZSA-N 1 0 388.295 2.218 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193692828 532431044 /nfs/dbraw/zinc/43/10/44/532431044.db2.gz HJPDPKSITYFKMQ-AWEZNQCLSA-N 1 0 382.302 2.217 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)CCCC2CCOCC2)C[C@@H]1[NH+]1CCCC1 ZINC000592045418 532437061 /nfs/dbraw/zinc/43/70/61/532437061.db2.gz NGQFJXRQBFIMJV-DLBZAZTESA-N 1 0 376.588 2.035 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000518150985 532435724 /nfs/dbraw/zinc/43/57/24/532435724.db2.gz MGNZZLVEUWMMJN-MRXNPFEDSA-N 1 0 395.297 2.452 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)CCCC2CCOCC2)C[C@@H]1[NH+]1CCCC1 ZINC000592045420 532436359 /nfs/dbraw/zinc/43/63/59/532436359.db2.gz NGQFJXRQBFIMJV-IRXDYDNUSA-N 1 0 376.588 2.035 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)NCc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000427876515 532436628 /nfs/dbraw/zinc/43/66/28/532436628.db2.gz RERFULHOLMMBAQ-UHFFFAOYSA-N 1 0 380.290 2.457 20 0 GEADRO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1SC)[C@H]1CCS(=O)(=O)C1 ZINC000281791947 532432594 /nfs/dbraw/zinc/43/25/94/532432594.db2.gz UOZIXMCEMHLKLJ-ZNMIVQPWSA-N 1 0 384.567 2.483 20 0 GEADRO Ic1cccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000517976390 532432604 /nfs/dbraw/zinc/43/26/04/532432604.db2.gz KTASLYXJONQRKW-HNNXBMFYSA-N 1 0 386.277 2.445 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]CCCc2ccc(Br)cc2F)nn1 ZINC000295308990 532432932 /nfs/dbraw/zinc/43/29/32/532432932.db2.gz YHSHFJBLGCWGJI-UHFFFAOYSA-N 1 0 385.237 2.075 20 0 GEADRO COc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000626105694 532433406 /nfs/dbraw/zinc/43/34/06/532433406.db2.gz NVQKTMRAKWHEBB-AWEZNQCLSA-N 1 0 383.286 2.441 20 0 GEADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000650064945 532433639 /nfs/dbraw/zinc/43/36/39/532433639.db2.gz ACLDJLYWLKYNKO-MJBXVCDLSA-N 1 0 377.312 2.120 20 0 GEADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000517994693 532433728 /nfs/dbraw/zinc/43/37/28/532433728.db2.gz PSUOUWCIBQZSDR-LBPRGKRZSA-N 1 0 390.311 2.207 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccccc1Br ZINC000561471786 532440709 /nfs/dbraw/zinc/44/07/09/532440709.db2.gz MADGHQUJKKQQIQ-CQSZACIVSA-N 1 0 393.347 2.225 20 0 GEADRO Cc1ccc(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000682095593 532441121 /nfs/dbraw/zinc/44/11/21/532441121.db2.gz LHFLHMBLZIBAIT-DLBZAZTESA-N 1 0 381.314 2.358 20 0 GEADRO COc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1Br ZINC000626582595 532441210 /nfs/dbraw/zinc/44/12/10/532441210.db2.gz GMQXXEZGQVILBL-LBPRGKRZSA-N 1 0 385.302 2.375 20 0 GEADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cccc(I)c1 ZINC000427941419 532438301 /nfs/dbraw/zinc/43/83/01/532438301.db2.gz OPOAFQFUCBOXHZ-SNVBAGLBSA-N 1 0 382.267 2.087 20 0 GEADRO O=C(NCc1n[nH]cc1Br)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000518299838 532438657 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CCC[C@@H](C)S(=O)(=O)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519164041 532458185 /nfs/dbraw/zinc/45/81/85/532458185.db2.gz ADQZAIQXBAUNMR-IXDOHACOSA-N 1 0 376.563 2.095 20 0 GEADRO CN(C)C(=O)CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000519327183 532460703 /nfs/dbraw/zinc/46/07/03/532460703.db2.gz NTWMHFQDAFWYOP-ZDUSSCGKSA-N 1 0 397.317 2.363 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000373615074 532460891 /nfs/dbraw/zinc/46/08/91/532460891.db2.gz GABWQXKETKILPI-APWZRJJASA-N 1 0 396.373 2.376 20 0 GEADRO Brc1ccc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)o1 ZINC000373608249 532461052 /nfs/dbraw/zinc/46/10/52/532461052.db2.gz CKCKPHFCLBWIAO-LBPRGKRZSA-N 1 0 391.273 2.486 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1c(F)ccc(Br)c1F ZINC000295619319 532463619 /nfs/dbraw/zinc/46/36/19/532463619.db2.gz YMHHKEFSDFIVLB-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000519419241 532464852 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CS[C@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)C[C@@H]1[NH+](C)C ZINC000282554613 532477234 /nfs/dbraw/zinc/47/72/34/532477234.db2.gz SBZUOYAVOTYXPK-STQMWFEESA-N 1 0 383.315 2.443 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000563115715 532496680 /nfs/dbraw/zinc/49/66/80/532496680.db2.gz ZWXVCAPRUDTTKP-MFKMUULPSA-N 1 0 392.233 2.460 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)C[C@@H]1[NH+](C)C ZINC000282554611 532477672 /nfs/dbraw/zinc/47/76/72/532477672.db2.gz SBZUOYAVOTYXPK-QWHCGFSZSA-N 1 0 383.315 2.443 20 0 GEADRO NC(=O)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC000373893515 532477551 /nfs/dbraw/zinc/47/75/51/532477551.db2.gz PRDCANNUPBNOMM-INIZCTEOSA-N 1 0 388.265 2.443 20 0 GEADRO C[C@H](NC(=O)[C@H]([NH3+])CCC(N)=O)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000373884612 532477570 /nfs/dbraw/zinc/47/75/70/532477570.db2.gz YTBRTDJJNNKXKU-QPUJVOFHSA-N 1 0 384.864 2.373 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000236777150 532497436 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COCC[N@H+](C)CCNc1ncnc2cc(I)sc21 ZINC000593462488 532481783 /nfs/dbraw/zinc/48/17/83/532481783.db2.gz VGKQECXIXMADFU-UHFFFAOYSA-N 1 0 392.266 2.286 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCc1cccc(Cl)c1)c1cccs1 ZINC000562772036 532481946 /nfs/dbraw/zinc/48/19/46/532481946.db2.gz YQNPYRKRQPYUJK-HNNXBMFYSA-N 1 0 379.913 2.479 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1(c2ccc(Br)cc2)CCCC1 ZINC000629177887 532482113 /nfs/dbraw/zinc/48/21/13/532482113.db2.gz WGLATFQKBPNRAD-MRXNPFEDSA-N 1 0 381.314 2.444 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000629178208 532482446 /nfs/dbraw/zinc/48/24/46/532482446.db2.gz JJQDGHCVTBRIQB-CYBMUJFWSA-N 1 0 377.535 2.125 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000563118817 532496888 /nfs/dbraw/zinc/49/68/88/532496888.db2.gz HGKLHEURCJMGNO-IINYFYTJSA-N 1 0 389.905 2.197 20 0 GEADRO COCC[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811275 532485048 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/nfs/dbraw/zinc/48/95/12/532489512.db2.gz BCMGBITYFJVHFT-UHFFFAOYSA-N 1 0 382.555 2.395 20 0 GEADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000228631222 532489746 /nfs/dbraw/zinc/48/97/46/532489746.db2.gz UYSCJUWYIDRZLK-ZACCUICWSA-N 1 0 377.279 2.492 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000685200013 532491033 /nfs/dbraw/zinc/49/10/33/532491033.db2.gz HPHPFVVWFQIJJJ-UHFFFAOYSA-N 1 0 382.346 2.480 20 0 GEADRO CC[C@@H](C(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1)[NH+](CC)CC ZINC000685247106 532491686 /nfs/dbraw/zinc/49/16/86/532491686.db2.gz PCYVKSBUDAXMNA-RDJZCZTQSA-N 1 0 375.579 2.015 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000295989973 532492550 /nfs/dbraw/zinc/49/25/50/532492550.db2.gz INKYIZQDPQPJFT-GFCCVEGCSA-N 1 0 395.301 2.034 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236666018 532492804 /nfs/dbraw/zinc/49/28/04/532492804.db2.gz FWZMEYJFVHRUCJ-PXAZEXFGSA-N 1 0 382.302 2.292 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000685450931 532492864 /nfs/dbraw/zinc/49/28/64/532492864.db2.gz AJKPNUQVGBXTJQ-CYBMUJFWSA-N 1 0 383.411 2.205 20 0 GEADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)[C@H](O)C(F)(F)F ZINC000685413402 532493198 /nfs/dbraw/zinc/49/31/98/532493198.db2.gz CWCFHRYEVCFLGZ-RYUDHWBXSA-N 1 0 384.196 2.320 20 0 GEADRO Cc1cc(NC(=O)CC[NH2+]Cc2cn3cc(Br)cc(C)c3n2)no1 ZINC000563013163 532493453 /nfs/dbraw/zinc/49/34/53/532493453.db2.gz HEPMWZXETLXLDU-UHFFFAOYSA-N 1 0 392.257 2.820 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000563014619 532493510 /nfs/dbraw/zinc/49/35/10/532493510.db2.gz ZLIXKIIJDSDSHK-UHFFFAOYSA-N 1 0 387.933 2.320 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000563024665 532494250 /nfs/dbraw/zinc/49/42/50/532494250.db2.gz FKJBBOZYKBVEJK-GJZGRUSLSA-N 1 0 399.264 2.257 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1=CCN(C)CC1 ZINC000563014334 532494453 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CC(C)[C@@H]1CN(c2cccc(OC(F)(F)F)c2S(N)(=O)=O)CC[N@@H+]1C ZINC000631243744 532551538 /nfs/dbraw/zinc/55/15/38/532551538.db2.gz GDIYUJBBGZRQGI-LBPRGKRZSA-N 1 0 381.420 2.009 20 0 GEADRO O=C(CSCc1ccc(Br)cc1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000565201471 532551672 /nfs/dbraw/zinc/55/16/72/532551672.db2.gz UKULPSBQYHWTED-QGZVFWFLSA-N 1 0 399.354 2.255 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1ccc(I)cc1 ZINC000595273693 532551701 /nfs/dbraw/zinc/55/17/01/532551701.db2.gz QEZFXKADZREIHY-WCQYABFASA-N 1 0 387.265 2.212 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccccc2Br)C1 ZINC000283752018 532553386 /nfs/dbraw/zinc/55/33/86/532553386.db2.gz LHEADMSQXFLTMR-AWEZNQCLSA-N 1 0 396.329 2.159 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000595669011 532569773 /nfs/dbraw/zinc/56/97/73/532569773.db2.gz WBWBTJCUGDNLQR-DYQSUWPFSA-N 1 0 375.252 2.091 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000472295248 532569763 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20 0 GEADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527902380 532556621 /nfs/dbraw/zinc/55/66/21/532556621.db2.gz VDWISXQVMPATRC-MLGOLLRUSA-N 1 0 375.897 2.327 20 0 GEADRO Cn1nc(Br)cc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000375438936 532557361 /nfs/dbraw/zinc/55/73/61/532557361.db2.gz TWZVBHUDMZFKPR-UHFFFAOYSA-N 1 0 394.273 2.303 20 0 GEADRO CC(C)OC[C@@H](CO)[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000433144090 532557514 /nfs/dbraw/zinc/55/75/14/532557514.db2.gz AZHWQWUXABJQNX-CABCVRRESA-N 1 0 394.281 2.046 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000248889507 532557591 /nfs/dbraw/zinc/55/75/91/532557591.db2.gz VSIDWDHWQYCQRF-VBNZEHGJSA-N 1 0 394.313 2.310 20 0 GEADRO COc1ccc(CNS(=O)(=O)CCC[NH+]2CCCC2)cc1OC(F)F ZINC000631735392 532557756 /nfs/dbraw/zinc/55/77/56/532557756.db2.gz DEXGXGWJZSTDLE-UHFFFAOYSA-N 1 0 378.441 2.202 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCC[C@H]([NH3+])C3)c(Cl)cc21 ZINC000528046421 532558144 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CSC1(CNC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)CC[NH+](C)CC1 ZINC000565395433 532560144 /nfs/dbraw/zinc/56/01/44/532560144.db2.gz OFHZDSNMVGROHG-CYBMUJFWSA-N 1 0 382.496 2.092 20 0 GEADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)Cc2cccc(F)c2F)CC1 ZINC000565419376 532561395 /nfs/dbraw/zinc/56/13/95/532561395.db2.gz QQVXAXDCVKBWSS-UHFFFAOYSA-N 1 0 376.469 2.227 20 0 GEADRO CCCN1CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1=O ZINC000433263383 532561468 /nfs/dbraw/zinc/56/14/68/532561468.db2.gz VFJXBGHGMXSRNY-INIZCTEOSA-N 1 0 394.313 2.499 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccccc2Br)C1 ZINC000283856551 532561747 /nfs/dbraw/zinc/56/17/47/532561747.db2.gz UGNSCHFQXPWGHF-GOEBONIOSA-N 1 0 394.313 2.008 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1cccc(I)c1 ZINC000471951413 532561931 /nfs/dbraw/zinc/56/19/31/532561931.db2.gz JVPQDOLGBZGAPF-IAQYHMDHSA-N 1 0 384.261 2.433 20 0 GEADRO COc1ccc(Br)c2[nH]c(C(=O)NCC[NH+]3CCC(O)CC3)cc21 ZINC000565406085 532562343 /nfs/dbraw/zinc/56/23/43/532562343.db2.gz CXAXJUSUCWTUDK-UHFFFAOYSA-N 1 0 396.285 2.126 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000528324382 532562385 /nfs/dbraw/zinc/56/23/85/532562385.db2.gz JLNBPZPFMUSGQO-GFCCVEGCSA-N 1 0 380.436 2.078 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249237771 532563110 /nfs/dbraw/zinc/56/31/10/532563110.db2.gz ODKUKSRRLSLMNG-NWDGAFQWSA-N 1 0 388.249 2.323 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249237773 532563538 /nfs/dbraw/zinc/56/35/38/532563538.db2.gz ODKUKSRRLSLMNG-VXGBXAGGSA-N 1 0 388.249 2.323 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000250122024 532570134 /nfs/dbraw/zinc/57/01/34/532570134.db2.gz VOXZZQAIUMCLMB-VBNZEHGJSA-N 1 0 383.945 2.306 20 0 GEADRO O=S(=O)(C[C@H]1CCC(F)(F)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000631845684 532563865 /nfs/dbraw/zinc/56/38/65/532563865.db2.gz IJPHFEWRAFBXIO-INIZCTEOSA-N 1 0 380.501 2.186 20 0 GEADRO C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC[S@](=O)C1 ZINC000297059679 532564626 /nfs/dbraw/zinc/56/46/26/532564626.db2.gz CYURGYCRGSPBMK-RKPUJPDHSA-N 1 0 383.583 2.370 20 0 GEADRO C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)c(Br)c1 ZINC000654574704 532564699 /nfs/dbraw/zinc/56/46/99/532564699.db2.gz ZKEYPFSAVFZVFK-WCFLWFBJSA-N 1 0 386.265 2.110 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c(C(F)(F)F)n1 ZINC000528478878 532565367 /nfs/dbraw/zinc/56/53/67/532565367.db2.gz SQOGOBSLHDGBKT-GFCCVEGCSA-N 1 0 380.436 2.124 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cnn(CC(F)(F)F)c1 ZINC000528470749 532565458 /nfs/dbraw/zinc/56/54/58/532565458.db2.gz BDLUSBSDKOOXCN-ZDUSSCGKSA-N 1 0 380.436 2.131 20 0 GEADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000249440761 532565758 /nfs/dbraw/zinc/56/57/58/532565758.db2.gz FNAPLEDBFAKCIR-HUUCEWRRSA-N 1 0 388.917 2.270 20 0 GEADRO COC(=O)[C@@H](c1ccccc1Br)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000595446870 532565884 /nfs/dbraw/zinc/56/58/84/532565884.db2.gz FACSNPAZWINWGF-CZUORRHYSA-N 1 0 399.329 2.440 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](OC)c1ccccc1Br ZINC000654725393 532566311 /nfs/dbraw/zinc/56/63/11/532566311.db2.gz QGIRCZGUGAGLHF-CZUORRHYSA-N 1 0 385.302 2.364 20 0 GEADRO CCN(Cc1cccc(Br)c1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631916268 532566507 /nfs/dbraw/zinc/56/65/07/532566507.db2.gz WNBSQOCXPPBXJJ-UHFFFAOYSA-N 1 0 390.347 2.200 20 0 GEADRO O=C(N[C@H]1CCc2cc(Br)ccc21)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433380463 532566548 /nfs/dbraw/zinc/56/65/48/532566548.db2.gz BWXUKERCJUVNIE-ZFWWWQNUSA-N 1 0 390.285 2.382 20 0 GEADRO CCS(=O)(=O)c1ccc(NC(=O)NCC2(SC)CC[NH+](C)CC2)cc1 ZINC000565510781 532566614 /nfs/dbraw/zinc/56/66/14/532566614.db2.gz UXQMRYVWPAPADB-UHFFFAOYSA-N 1 0 385.555 2.429 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000654822816 532570164 /nfs/dbraw/zinc/57/01/64/532570164.db2.gz YDHWFFXLJWPXTI-GXSJLCMTSA-N 1 0 389.315 2.113 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000472189965 532567082 /nfs/dbraw/zinc/56/70/82/532567082.db2.gz HGTTVRYZYOFCEP-UHFFFAOYSA-N 1 0 384.322 2.377 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000631917013 532567106 /nfs/dbraw/zinc/56/71/06/532567106.db2.gz KCKILNSTPFNGAQ-UHFFFAOYSA-N 1 0 378.325 2.280 20 0 GEADRO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631919654 532567122 /nfs/dbraw/zinc/56/71/22/532567122.db2.gz XNQOTOSBMFSCIT-DYVFJYSZSA-N 1 0 387.933 2.030 20 0 GEADRO CCC[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000631918340 532567178 /nfs/dbraw/zinc/56/71/78/532567178.db2.gz ZPNFNPGQWFLMHL-LSDHHAIUSA-N 1 0 380.432 2.454 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccccc3Br)o2)[C@H](C)C1 ZINC000249516400 532567262 /nfs/dbraw/zinc/56/72/62/532567262.db2.gz RIKRLMPUTRYVQW-OLZOCXBDSA-N 1 0 395.301 2.386 20 0 GEADRO Cc1cc(NC(=O)CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1Br ZINC000249501099 532567657 /nfs/dbraw/zinc/56/76/57/532567657.db2.gz INXSUNWFYAZUOO-KBPBESRZSA-N 1 0 384.318 2.083 20 0 GEADRO O=C(NCc1nc2cc(Cl)ccc2s1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433402022 532567833 /nfs/dbraw/zinc/56/78/33/532567833.db2.gz HRTWQKBEWKNKMQ-LLVKDONJSA-N 1 0 376.873 2.396 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](OC)c2ccccc2Br)C1 ZINC000654749375 532567908 /nfs/dbraw/zinc/56/79/08/532567908.db2.gz OSGUPOHUSFNYKE-BBRMVZONSA-N 1 0 385.302 2.364 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000249493435 532567970 /nfs/dbraw/zinc/56/79/70/532567970.db2.gz FXMSPXLOMWTNEM-KBPBESRZSA-N 1 0 384.318 2.083 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000249583492 532568952 /nfs/dbraw/zinc/56/89/52/532568952.db2.gz NVJXQQVONUIVEL-KWBADKCTSA-N 1 0 377.279 2.254 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000565539590 532568922 /nfs/dbraw/zinc/56/89/22/532568922.db2.gz DQYXCGOOVRAFQV-SNVBAGLBSA-N 1 0 379.766 2.088 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000297132256 532569157 /nfs/dbraw/zinc/56/91/57/532569157.db2.gz JANNFOIFWIWEKM-NSHDSACASA-N 1 0 379.262 2.103 20 0 GEADRO CO[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1ccccc1Br ZINC000654790790 532569411 /nfs/dbraw/zinc/56/94/11/532569411.db2.gz OQKBZGPVVQBGBK-HNNXBMFYSA-N 1 0 385.302 2.364 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000247310671 532546488 /nfs/dbraw/zinc/54/64/88/532546488.db2.gz FSFGJZOPWMPECW-JSGCOSHPSA-N 1 0 386.901 2.216 20 0 GEADRO C[C@@H]1C[C@@H](Nc2cccc(OC(F)(F)F)c2S(N)(=O)=O)C[N@@H+]1C1CC1 ZINC000631157674 532546578 /nfs/dbraw/zinc/54/65/78/532546578.db2.gz DXEQNTWGXRQOBR-NXEZZACHSA-N 1 0 379.404 2.270 20 0 GEADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1C ZINC000631154674 532546641 /nfs/dbraw/zinc/54/66/41/532546641.db2.gz FVRJCDGRPPYAHY-MRXNPFEDSA-N 1 0 382.913 2.297 20 0 GEADRO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000631954628 532569565 /nfs/dbraw/zinc/56/95/65/532569565.db2.gz SKYWZDKXFZZZIZ-WCQYABFASA-N 1 0 381.420 2.017 20 0 GEADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cnn(CC(F)F)c2)[C@H]1c1cccs1 ZINC000375308677 532548673 /nfs/dbraw/zinc/54/86/73/532548673.db2.gz KTHFZUCJXUKMBA-NHYWBVRUSA-N 1 0 390.481 2.181 20 0 GEADRO COCC[NH2+]C1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000565094426 532548859 /nfs/dbraw/zinc/54/88/59/532548859.db2.gz YQLKRPVPLOXALN-UHFFFAOYSA-N 1 0 388.339 2.353 20 0 GEADRO Cn1ncc(Br)c1-c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000296862014 532548939 /nfs/dbraw/zinc/54/89/39/532548939.db2.gz NPBFCDACDKRUKX-UHFFFAOYSA-N 1 0 393.245 2.235 20 0 GEADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631234925 532549502 /nfs/dbraw/zinc/54/95/02/532549502.db2.gz KTQDIVFEPXTBCI-QGZVFWFLSA-N 1 0 386.876 2.210 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1CC[NH2+]CC1 ZINC000297338083 532582303 /nfs/dbraw/zinc/58/23/03/532582303.db2.gz YHCYZHSJMYZPSU-INIZCTEOSA-N 1 0 383.945 2.307 20 0 GEADRO O=S1(=O)CC[C@H](C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)C1 ZINC000375837963 532582491 /nfs/dbraw/zinc/58/24/91/532582491.db2.gz HVBBVLKXFFSMBC-GDBMZVCRSA-N 1 0 377.428 2.431 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262086673 532584088 /nfs/dbraw/zinc/58/40/88/532584088.db2.gz UEGKSCUDLBYGLV-SRVKXCTJSA-N 1 0 375.357 2.307 20 0 GEADRO C[C@H]1CCc2c(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)csc2C1 ZINC000262075574 532584888 /nfs/dbraw/zinc/58/48/88/532584888.db2.gz SUAVUKFTEVNNAN-XHDPSFHLSA-N 1 0 375.460 2.439 20 0 GEADRO O=C(c1cc(Cl)cc(F)c1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295058 532585810 /nfs/dbraw/zinc/58/58/10/532585810.db2.gz QHJQGDAQJAUWJF-VHSXEESVSA-N 1 0 377.641 2.133 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1Br ZINC000262147796 532586011 /nfs/dbraw/zinc/58/60/11/532586011.db2.gz XICIPPRFVBYRJS-LBPRGKRZSA-N 1 0 398.198 2.154 20 0 GEADRO Cc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2ccc(Br)cc2n1 ZINC000655298690 532586349 /nfs/dbraw/zinc/58/63/49/532586349.db2.gz CUGIKVHDOTYTTN-UONOGXRCSA-N 1 0 390.281 2.197 20 0 GEADRO C[C@]1(NC(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]C1 ZINC000596120792 532587093 /nfs/dbraw/zinc/58/70/93/532587093.db2.gz MDDVBQNCAHNDFV-LBPRGKRZSA-N 1 0 381.164 2.443 20 0 GEADRO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000565997511 532587357 /nfs/dbraw/zinc/58/73/57/532587357.db2.gz SDJXPBRAHBLENF-SWLSCSKDSA-N 1 0 381.270 2.331 20 0 GEADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CCC([NH+]2CC=CC2)CC1 ZINC000297396742 532587537 /nfs/dbraw/zinc/58/75/37/532587537.db2.gz YNUJFIULSQFXRP-UHFFFAOYSA-N 1 0 391.273 2.360 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCc4cc(Br)ccc43)C[C@H]2[NH3+])cn1 ZINC000566011287 532587755 /nfs/dbraw/zinc/58/77/55/532587755.db2.gz ONGGBTQDUSBULG-YESZJQIVSA-N 1 0 389.297 2.166 20 0 GEADRO O=C(CSc1ccc(F)c(F)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262161827 532587879 /nfs/dbraw/zinc/58/78/79/532587879.db2.gz XZRJOEOIIZPHRA-CYBMUJFWSA-N 1 0 383.386 2.009 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000566004614 532587935 /nfs/dbraw/zinc/58/79/35/532587935.db2.gz LJMHWZRKKMEVPU-OIBJUYFYSA-N 1 0 377.080 2.334 20 0 GEADRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000632200928 532588474 /nfs/dbraw/zinc/58/84/74/532588474.db2.gz HGVODCGRXLKBTF-UHFFFAOYSA-N 1 0 390.374 2.197 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000297413867 532588756 /nfs/dbraw/zinc/58/87/56/532588756.db2.gz RBDHXMRRVXZZED-XJKSGUPXSA-N 1 0 383.945 2.389 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000297417075 532588791 /nfs/dbraw/zinc/58/87/91/532588791.db2.gz GWMZJKCMISFAMB-INIZCTEOSA-N 1 0 375.296 2.332 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@@H]1[NH3+] ZINC000262192993 532588998 /nfs/dbraw/zinc/58/89/98/532588998.db2.gz ZUXGWUNZRPLDSU-CABCVRRESA-N 1 0 394.313 2.388 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000262200570 532589369 /nfs/dbraw/zinc/58/93/69/532589369.db2.gz SGHVWTKITSXYEQ-HNNXBMFYSA-N 1 0 384.267 2.422 20 0 GEADRO Cc1nc(C)c(Br)c(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000596158545 532589628 /nfs/dbraw/zinc/58/96/28/532589628.db2.gz YMXQBYYVKMANHU-OAHLLOKOSA-N 1 0 382.350 2.461 20 0 GEADRO COc1cc(I)ccc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000297453846 532589736 /nfs/dbraw/zinc/58/97/36/532589736.db2.gz QMTMBRFLYVZWQZ-UHFFFAOYSA-N 1 0 389.237 2.469 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000566062907 532590189 /nfs/dbraw/zinc/59/01/89/532590189.db2.gz KIDMNEZBVWUMFY-MRXNPFEDSA-N 1 0 380.330 2.281 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)CCc2cccs2)cc1 ZINC000262360687 532590102 /nfs/dbraw/zinc/59/01/02/532590102.db2.gz VNPSGCYPIAGCPQ-ROUUACIJSA-N 1 0 380.535 2.364 20 0 GEADRO [NH3+]CCc1nc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cs1 ZINC000262371255 532590237 /nfs/dbraw/zinc/59/02/37/532590237.db2.gz MBDUZHWTJFIYKU-GFCCVEGCSA-N 1 0 395.326 2.416 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)c2ccc(Cl)cc2Br)CCC[NH2+]1 ZINC000262343563 532590351 /nfs/dbraw/zinc/59/03/51/532590351.db2.gz TTXIKXDKJZUMEY-ZDUSSCGKSA-N 1 0 397.722 2.149 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000566082010 532591034 /nfs/dbraw/zinc/59/10/34/532591034.db2.gz RLRDCIOMFDJNLF-SNVBAGLBSA-N 1 0 384.263 2.142 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)C1 ZINC000566064907 532591191 /nfs/dbraw/zinc/59/11/91/532591191.db2.gz UMMPKNMLSZMQGZ-CQSZACIVSA-N 1 0 383.583 2.483 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)C1CC1 ZINC000284435007 532591816 /nfs/dbraw/zinc/59/18/16/532591816.db2.gz DMFDFYYQZSFRSI-UHFFFAOYSA-N 1 0 380.901 2.166 20 0 GEADRO C[C@H]1C[C@@H](C(=O)NCc2ccc(Br)cc2N2CCOCC2)CC[NH2+]1 ZINC000262399338 532592130 /nfs/dbraw/zinc/59/21/30/532592130.db2.gz NZIOLUFOKXFFSN-KBPBESRZSA-N 1 0 396.329 2.290 20 0 GEADRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCOc2cccc(Br)c2C1 ZINC000655504267 532592253 /nfs/dbraw/zinc/59/22/53/532592253.db2.gz OOJXJTNESUMZGL-LLVKDONJSA-N 1 0 391.269 2.284 20 0 GEADRO C[C@H]1C[C@@H](C(=O)NCCCNC(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000262374846 532592308 /nfs/dbraw/zinc/59/23/08/532592308.db2.gz KNCQJWZDHLUYPL-JSGCOSHPSA-N 1 0 382.302 2.073 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncccc1I ZINC000596360087 532592484 /nfs/dbraw/zinc/59/24/84/532592484.db2.gz HATMNHGEXBUNDT-LBPRGKRZSA-N 1 0 376.286 2.370 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)Cn1cccn1 ZINC000566111018 532592668 /nfs/dbraw/zinc/59/26/68/532592668.db2.gz WELXJQJNTAZWQU-QGZVFWFLSA-N 1 0 394.313 2.345 20 0 GEADRO Cc1cc(Br)cc2c(C(=O)NCCN3CC[NH+](C)CC3)coc21 ZINC000473511723 532592866 /nfs/dbraw/zinc/59/28/66/532592866.db2.gz ZENDVBPRZQBJDF-UHFFFAOYSA-N 1 0 380.286 2.481 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000262431050 532592938 /nfs/dbraw/zinc/59/29/38/532592938.db2.gz FAIWFEUHXVUGBK-IUODEOHRSA-N 1 0 382.302 2.168 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C(F)(F)F ZINC000655510250 532593620 /nfs/dbraw/zinc/59/36/20/532593620.db2.gz NGRQMGAQWCXMFL-GZMMTYOYSA-N 1 0 384.185 2.352 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)(F)F ZINC000655511148 532593788 /nfs/dbraw/zinc/59/37/88/532593788.db2.gz ZBWFPBQOHZALPL-LDYMZIIASA-N 1 0 384.185 2.352 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)sc1Cl ZINC000376069755 532594174 /nfs/dbraw/zinc/59/41/74/532594174.db2.gz ROFAQYOWYXXVMX-CYBMUJFWSA-N 1 0 391.990 2.499 20 0 GEADRO CN([C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)S(=O)(=O)CCC[NH+](C)C ZINC000632239015 532594664 /nfs/dbraw/zinc/59/46/64/532594664.db2.gz YGWCKXKOMHETRW-CABCVRRESA-N 1 0 381.325 2.165 20 0 GEADRO O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262458813 532595001 /nfs/dbraw/zinc/59/50/01/532595001.db2.gz FNTLGKOTHJINBM-PRHODGIISA-N 1 0 385.649 2.154 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000631968716 532570424 /nfs/dbraw/zinc/57/04/24/532570424.db2.gz WXQMJJVENJQEND-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO CC[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000631969334 532570626 /nfs/dbraw/zinc/57/06/26/532570626.db2.gz VZNNLBFVDMPVOM-ZDUSSCGKSA-N 1 0 379.979 2.410 20 0 GEADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000565598518 532570947 /nfs/dbraw/zinc/57/09/47/532570947.db2.gz ZNFLWCHGTXOWRP-CHWSQXEVSA-N 1 0 376.906 2.161 20 0 GEADRO C[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2ccccc2Br)[C@H](C)C1 ZINC000251945719 532571747 /nfs/dbraw/zinc/57/17/47/532571747.db2.gz TXRLLDSBIRNIFC-RDBSUJKOSA-N 1 0 385.302 2.130 20 0 GEADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000284008249 532572650 /nfs/dbraw/zinc/57/26/50/532572650.db2.gz DVRLTWPRLJWUNU-UHFFFAOYSA-N 1 0 378.420 2.291 20 0 GEADRO O=C(C[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1ccccc1I ZINC000595779497 532572774 /nfs/dbraw/zinc/57/27/74/532572774.db2.gz FQTBEBDZHCRLHI-QWHCGFSZSA-N 1 0 386.233 2.123 20 0 GEADRO Cc1csc([C@H](NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)C(F)(F)F)n1 ZINC000297228728 532574044 /nfs/dbraw/zinc/57/40/44/532574044.db2.gz WJLQIIRNNVWZMG-TUAOUCFPSA-N 1 0 380.436 2.151 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccsc2C(F)(F)F)CC1 ZINC000528566040 532574094 /nfs/dbraw/zinc/57/40/94/532574094.db2.gz NMVODFBNFPZEKJ-UHFFFAOYSA-N 1 0 377.432 2.297 20 0 GEADRO O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1ccc(I)cc1 ZINC000595781152 532575288 /nfs/dbraw/zinc/57/52/88/532575288.db2.gz KUWRNZGMDBODIL-CHWSQXEVSA-N 1 0 386.233 2.123 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cc(Br)cnc1-n1cccn1 ZINC000565763306 532575940 /nfs/dbraw/zinc/57/59/40/532575940.db2.gz NLZJHSJMKLHYAH-LLVKDONJSA-N 1 0 379.262 2.151 20 0 GEADRO COCC1(CNC(=O)c2csc(I)c2)CC[NH2+]CC1 ZINC000261647603 532575890 /nfs/dbraw/zinc/57/58/90/532575890.db2.gz XTBGMBHYONRIGA-UHFFFAOYSA-N 1 0 394.278 2.099 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)Cc2csc3ccc(Br)cc23)C1 ZINC000472497028 532576323 /nfs/dbraw/zinc/57/63/23/532576323.db2.gz KEXGZPNQHLDBOT-INIZCTEOSA-N 1 0 383.311 2.389 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000595906079 532576372 /nfs/dbraw/zinc/57/63/72/532576372.db2.gz WFWAFDPWOOGYNA-VIFPVBQESA-N 1 0 387.299 2.134 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCn1cc(Br)ccc1=O ZINC000565766463 532576636 /nfs/dbraw/zinc/57/66/36/532576636.db2.gz KDVGHTXOWJBGEA-HIFRSBDPSA-N 1 0 382.302 2.086 20 0 GEADRO CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261680299 532576694 /nfs/dbraw/zinc/57/66/94/532576694.db2.gz DHWPUHJVIQLJGW-CXAGYDPISA-N 1 0 392.301 2.428 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)O1 ZINC000261678144 532576784 /nfs/dbraw/zinc/57/67/84/532576784.db2.gz GSFLDVTXQZJXEY-CVEARBPZSA-N 1 0 393.285 2.333 20 0 GEADRO CO[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccccc1Br ZINC000654967347 532577668 /nfs/dbraw/zinc/57/76/68/532577668.db2.gz LNKOPPQOHQDTMI-QGZVFWFLSA-N 1 0 399.329 2.442 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Br)cc1 ZINC000261735930 532577940 /nfs/dbraw/zinc/57/79/40/532577940.db2.gz DDBXRDSQDCNMPL-DOTOQJQBSA-N 1 0 382.302 2.214 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000528708423 532578432 /nfs/dbraw/zinc/57/84/32/532578432.db2.gz ZDZWKRBRCQPPMF-SJLPKXTDSA-N 1 0 381.314 2.433 20 0 GEADRO O=C(Nc1cccc(I)c1)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000595929499 532578515 /nfs/dbraw/zinc/57/85/15/532578515.db2.gz KQGGZKNUZLYIMZ-SECBINFHSA-N 1 0 382.205 2.344 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(Br)cc1C ZINC000472591604 532578939 /nfs/dbraw/zinc/57/89/39/532578939.db2.gz QQNMYWPNBQWJOM-UHFFFAOYSA-N 1 0 393.347 2.394 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1Br ZINC000261960707 532579249 /nfs/dbraw/zinc/57/92/49/532579249.db2.gz KVSSHZMZQSBCFU-LBPRGKRZSA-N 1 0 398.198 2.154 20 0 GEADRO C[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@@H](C)[C@H]1[NH3+] ZINC000297303481 532579260 /nfs/dbraw/zinc/57/92/60/532579260.db2.gz FGLBXJLJGHAGRE-BHDSKKPTSA-N 1 0 389.315 2.050 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1Cl ZINC000433817984 532579460 /nfs/dbraw/zinc/57/94/60/532579460.db2.gz JTPBKNWNBZTGHS-UHFFFAOYSA-N 1 0 397.722 2.484 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000565832229 532579465 /nfs/dbraw/zinc/57/94/65/532579465.db2.gz QRVCOSPXPVMDJX-ZDUSSCGKSA-N 1 0 382.302 2.306 20 0 GEADRO Cc1cc(Br)cc(C)c1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000565828264 532579967 /nfs/dbraw/zinc/57/99/67/532579967.db2.gz IVJCEFJORJYQKK-UHFFFAOYSA-N 1 0 376.316 2.095 20 0 GEADRO O=C(NCc1ccc(F)cc1Br)C1(n2cccn2)CC[NH2+]CC1 ZINC000261970202 532580241 /nfs/dbraw/zinc/58/02/41/532580241.db2.gz QKIBIEHLAAGPSU-UHFFFAOYSA-N 1 0 381.249 2.180 20 0 GEADRO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000261973392 532580258 /nfs/dbraw/zinc/58/02/58/532580258.db2.gz BRCLRXZEAXHZBB-DGCLKSJQSA-N 1 0 382.555 2.496 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528750260 532580515 /nfs/dbraw/zinc/58/05/15/532580515.db2.gz CDILRLLDIPRNRU-JLZZUVOBSA-N 1 0 385.302 2.089 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000262015454 532580762 /nfs/dbraw/zinc/58/07/62/532580762.db2.gz OJRJQYNQESJMRT-IPYPFGDCSA-N 1 0 375.822 2.396 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(Br)c1 ZINC000375751511 532580923 /nfs/dbraw/zinc/58/09/23/532580923.db2.gz SULOGVLVCUDVNT-YVEFUNNKSA-N 1 0 396.285 2.268 20 0 GEADRO C[C@@]([NH3+])(C(=O)Nc1n[nH]c(C(F)(F)F)n1)c1ccc(Br)cc1 ZINC000262006755 532580941 /nfs/dbraw/zinc/58/09/41/532580941.db2.gz VTHNBKCCQSNDET-NSHDSACASA-N 1 0 378.152 2.399 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1Cl ZINC000433874318 532581426 /nfs/dbraw/zinc/58/14/26/532581426.db2.gz VVFOECWCYVDCEN-TZMCWYRMSA-N 1 0 378.947 2.323 20 0 GEADRO Ic1cnc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)s1 ZINC000375762289 532581859 /nfs/dbraw/zinc/58/18/59/532581859.db2.gz JOJTXMBRBNGKHP-BXKDBHETSA-N 1 0 380.251 2.175 20 0 GEADRO CCOC(=O)CCCNC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284715820 532613703 /nfs/dbraw/zinc/61/37/03/532613703.db2.gz JINWWFYVXOMFDJ-QGZVFWFLSA-N 1 0 398.301 2.344 20 0 GEADRO COC1CC[NH+](CCNC(=O)NCCc2cccc(Br)c2)CC1 ZINC000656320345 532613961 /nfs/dbraw/zinc/61/39/61/532613961.db2.gz AWYHXFDRYJALMS-UHFFFAOYSA-N 1 0 384.318 2.402 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cncc(Br)c3C)C2)CC1 ZINC000597165650 532614018 /nfs/dbraw/zinc/61/40/18/532614018.db2.gz LSZSFSXWROSKOY-CQSZACIVSA-N 1 0 381.318 2.005 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000632488816 532614529 /nfs/dbraw/zinc/61/45/29/532614529.db2.gz OCDPBEJYOGOBEH-GFCCVEGCSA-N 1 0 376.906 2.126 20 0 GEADRO COc1cc(CN2CC[C@@H](C[NH3+])C2)cc(I)c1OC ZINC000435390717 532614662 /nfs/dbraw/zinc/61/46/62/532614662.db2.gz QAVFUOIVBRHKEB-JTQLQIEISA-N 1 0 376.238 2.089 20 0 GEADRO O=C(NCCc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000656320402 532614661 /nfs/dbraw/zinc/61/46/61/532614661.db2.gz QRIQZUNQANQXPX-IAGOWNOFSA-N 1 0 396.329 2.232 20 0 GEADRO COc1cc(C[N@H+](C)C2(CO)CC2)cc(I)c1OC ZINC000597253592 532615324 /nfs/dbraw/zinc/61/53/24/532615324.db2.gz FAZFNLCVLYBBRT-UHFFFAOYSA-N 1 0 377.222 2.265 20 0 GEADRO COc1cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)cc(I)c1OC ZINC000435373323 532615313 /nfs/dbraw/zinc/61/53/13/532615313.db2.gz DNBGCFSGPMANBF-GXFFZTMASA-N 1 0 390.265 2.478 20 0 GEADRO C[C@]12CC[N@H+](CCOc3ccc(S(N)(=O)=O)cc3)C[C@H]1C2(Cl)Cl ZINC000284747183 532616328 /nfs/dbraw/zinc/61/63/28/532616328.db2.gz LGRBJAHLFPFPRL-KGLIPLIRSA-N 1 0 379.309 2.229 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284750522 532616615 /nfs/dbraw/zinc/61/66/15/532616615.db2.gz LKXZGIXEPGJBBF-QGZVFWFLSA-N 1 0 381.318 2.049 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000566584633 532617681 /nfs/dbraw/zinc/61/76/81/532617681.db2.gz GXPYCEVSNRRZLB-AWEZNQCLSA-N 1 0 386.334 2.216 20 0 GEADRO NC(=O)c1ccc(C(=O)N(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435570319 532622168 /nfs/dbraw/zinc/62/21/68/532622168.db2.gz WHRRXOYQQMTNDV-ZDUSSCGKSA-N 1 0 376.507 2.088 20 0 GEADRO CC(C)(C)OC(=O)CNC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284767417 532618289 /nfs/dbraw/zinc/61/82/89/532618289.db2.gz MNEGVQVWVLKXGD-INIZCTEOSA-N 1 0 398.301 2.343 20 0 GEADRO CCc1nncn1CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530466003 532620875 /nfs/dbraw/zinc/62/08/75/532620875.db2.gz BQYMVETZAGSXAH-VIFPVBQESA-N 1 0 392.312 2.146 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000530445617 532620959 /nfs/dbraw/zinc/62/09/59/532620959.db2.gz AMFDMSQRNPIDML-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1Cl ZINC000655546752 532596486 /nfs/dbraw/zinc/59/64/86/532596486.db2.gz MMIUIWHLZOFEFZ-QAPCUYQASA-N 1 0 385.961 2.295 20 0 GEADRO CCOC(=O)CSc1nnc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)s1 ZINC000566165461 532596720 /nfs/dbraw/zinc/59/67/20/532596720.db2.gz RVKPYACDUWDVHS-LBPRGKRZSA-N 1 0 378.479 2.019 20 0 GEADRO Cc1cc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)ccc1Cl ZINC000655545657 532596950 /nfs/dbraw/zinc/59/69/50/532596950.db2.gz KEKMFGYZUYGRLI-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)C[C@@H]1CCCC(F)(F)C1 ZINC000632285757 532597205 /nfs/dbraw/zinc/59/72/05/532597205.db2.gz BJOMKLLMLDCUQE-LSDHHAIUSA-N 1 0 380.501 2.327 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(O)cc(Br)c1 ZINC000529198584 532597276 /nfs/dbraw/zinc/59/72/76/532597276.db2.gz JELNKSKEXHYTKO-GFCCVEGCSA-N 1 0 383.286 2.480 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)c1ccc(Br)cc1 ZINC000262692888 532597797 /nfs/dbraw/zinc/59/77/97/532597797.db2.gz ANBWNGPEGSNESE-BFQNTYOBSA-N 1 0 382.302 2.225 20 0 GEADRO O=C(NCCNc1cccc(Br)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262710900 532597810 /nfs/dbraw/zinc/59/78/10/532597810.db2.gz FJAUXIORYUXCKR-HNNXBMFYSA-N 1 0 392.301 2.412 20 0 GEADRO C[NH+](C)CCOCCNC(=O)Nc1ccc(F)cc1I ZINC000473694173 532597785 /nfs/dbraw/zinc/59/77/85/532597785.db2.gz SRPRPABCCKEVRF-UHFFFAOYSA-N 1 0 395.216 2.130 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000473698648 532597870 /nfs/dbraw/zinc/59/78/70/532597870.db2.gz SFEFCYQBMWFTIR-UHFFFAOYSA-N 1 0 381.420 2.195 20 0 GEADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529372488 532598885 /nfs/dbraw/zinc/59/88/85/532598885.db2.gz ASLSZSPZKFNGJD-HIFRSBDPSA-N 1 0 398.301 2.293 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(c2cccc(Br)c2)CC1 ZINC000529375467 532598976 /nfs/dbraw/zinc/59/89/76/532598976.db2.gz HRPZNJDPQVKHTJ-MRXNPFEDSA-N 1 0 382.302 2.327 20 0 GEADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCOc2ncc(Cl)cc2Cl)C1(C)C ZINC000262763442 532599246 /nfs/dbraw/zinc/59/92/46/532599246.db2.gz FCPBWRGBOXHPPI-MLGOLLRUSA-N 1 0 376.284 2.416 20 0 GEADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000434702121 532599500 /nfs/dbraw/zinc/59/95/00/532599500.db2.gz BBCZSEABSRNUDH-KCJUWKMLSA-N 1 0 384.221 2.038 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262750813 532599794 /nfs/dbraw/zinc/59/97/94/532599794.db2.gz GHGJTDPXQWSUKL-BDAKNGLRSA-N 1 0 381.267 2.016 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262749984 532599849 /nfs/dbraw/zinc/59/98/49/532599849.db2.gz GCDYOGGVRPIUPU-SGMGOOAPSA-N 1 0 376.906 2.173 20 0 GEADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(Br)c1 ZINC000284527285 532599911 /nfs/dbraw/zinc/59/99/11/532599911.db2.gz ZRVFMXZFPVPTBO-AWEZNQCLSA-N 1 0 397.313 2.390 20 0 GEADRO CO[C@@H](C[NH3+])CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000262788195 532600669 /nfs/dbraw/zinc/60/06/69/532600669.db2.gz CWIBXZYAYAJFIF-SNVBAGLBSA-N 1 0 381.782 2.120 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262780883 532600725 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GEADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000632361199 532605640 /nfs/dbraw/zinc/60/56/40/532605640.db2.gz RJQCZDBVLKSZTE-CQSZACIVSA-N 1 0 391.990 2.336 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2nc(CC(C)(C)C)cs2)CCSC1 ZINC000434921328 532605939 /nfs/dbraw/zinc/60/59/39/532605939.db2.gz AIGFVXGYKCDJCZ-KRWDZBQOSA-N 1 0 384.571 2.224 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]CCC(C)(C)C(=O)OC)s1 ZINC000474604578 532621737 /nfs/dbraw/zinc/62/17/37/532621737.db2.gz QUZMCEZZDAYZMS-UHFFFAOYSA-N 1 0 376.544 2.458 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000632373739 532606425 /nfs/dbraw/zinc/60/64/25/532606425.db2.gz FCHLKRIELQBPOJ-UHFFFAOYSA-N 1 0 392.924 2.442 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2=O)ccc1Br ZINC000262915880 532606883 /nfs/dbraw/zinc/60/68/83/532606883.db2.gz YWRQPLFHGUQKPB-IOASZLSFSA-N 1 0 394.313 2.225 20 0 GEADRO COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000566412383 532607456 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O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)Nc1ccccc1I ZINC000435232438 532611014 /nfs/dbraw/zinc/61/10/14/532611014.db2.gz LTOSHRJKMZKQNB-LBPRGKRZSA-N 1 0 385.249 2.056 20 0 GEADRO CCOc1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc(Br)c1OC ZINC000656272932 532611415 /nfs/dbraw/zinc/61/14/15/532611415.db2.gz KIWGWFCLRVBLIX-UONOGXRCSA-N 1 0 385.302 2.107 20 0 GEADRO CC[NH+]1C[C@H](C)N(C(=O)CNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000566466539 532611425 /nfs/dbraw/zinc/61/14/25/532611425.db2.gz OQCZZQYHTNFJJW-STQMWFEESA-N 1 0 382.302 2.120 20 0 GEADRO Cn1nccc1[C@H](CO)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000597150499 532611925 /nfs/dbraw/zinc/61/19/25/532611925.db2.gz CYXXUQJZTDRNFD-KBPBESRZSA-N 1 0 383.233 2.335 20 0 GEADRO O=S(=O)(c1cc(F)ccc1Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632452445 532612263 /nfs/dbraw/zinc/61/22/63/532612263.db2.gz WESYMUREUPJNQN-UHFFFAOYSA-N 1 0 376.881 2.355 20 0 GEADRO O=C(CCCOc1cccc(Br)c1)NCC[N@@H+]1CCCOCC1 ZINC000474310059 532612230 /nfs/dbraw/zinc/61/22/30/532612230.db2.gz WXUGUNZZRWJDAR-UHFFFAOYSA-N 1 0 385.302 2.447 20 0 GEADRO O=S(=O)(c1ccc2ncsc2c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632452433 532612285 /nfs/dbraw/zinc/61/22/85/532612285.db2.gz VJDLFPDXFMFZMP-UHFFFAOYSA-N 1 0 381.523 2.172 20 0 GEADRO Cn1nccc1[C@H](CO)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000597150500 532612430 /nfs/dbraw/zinc/61/24/30/532612430.db2.gz CYXXUQJZTDRNFD-KGLIPLIRSA-N 1 0 383.233 2.335 20 0 GEADRO O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435245720 532612573 /nfs/dbraw/zinc/61/25/73/532612573.db2.gz CZUQGYZDFZEPRR-LRDDRELGSA-N 1 0 392.297 2.155 20 0 GEADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435247583 532612580 /nfs/dbraw/zinc/61/25/80/532612580.db2.gz LRKKTMDWYMNZNK-ZDUSSCGKSA-N 1 0 398.276 2.061 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000474332999 532613175 /nfs/dbraw/zinc/61/31/75/532613175.db2.gz QWZWZOVDEFENMJ-TZMCWYRMSA-N 1 0 385.306 2.315 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cccc(Br)c1C ZINC000656316671 532613210 /nfs/dbraw/zinc/61/32/10/532613210.db2.gz SNEUCGVEPYODDZ-HNNXBMFYSA-N 1 0 396.329 2.364 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1nc2c(s1)CSCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000376662461 532622823 /nfs/dbraw/zinc/62/28/23/532622823.db2.gz XOWYAGHYVFBJBL-VXGBXAGGSA-N 1 0 382.555 2.108 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000284814931 532623753 /nfs/dbraw/zinc/62/37/53/532623753.db2.gz QQCHEZIQQJDOTJ-ZDUSSCGKSA-N 1 0 395.301 2.260 20 0 GEADRO Cc1ccccc1SCC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000298078568 532623787 /nfs/dbraw/zinc/62/37/87/532623787.db2.gz HYDAMLNOOGFCHA-INIZCTEOSA-N 1 0 384.567 2.055 20 0 GEADRO Cc1ccc(SCC(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000298096336 532624484 /nfs/dbraw/zinc/62/44/84/532624484.db2.gz PSUOQJXUJHNFFV-INIZCTEOSA-N 1 0 384.567 2.055 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000298091242 532624563 /nfs/dbraw/zinc/62/45/63/532624563.db2.gz MVBQEEHIOBESSA-CYBMUJFWSA-N 1 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CC[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000298150062 532630072 /nfs/dbraw/zinc/63/00/72/532630072.db2.gz RKRWIMFWXBDBSL-UHFFFAOYSA-N 1 0 388.331 2.023 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000376794797 532630438 /nfs/dbraw/zinc/63/04/38/532630438.db2.gz SCIKRCOUNNODRS-NEPJUHHUSA-N 1 0 384.889 2.322 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)c3scnc3C(F)(F)F)CC2)CC1 ZINC000566923834 532631243 /nfs/dbraw/zinc/63/12/43/532631243.db2.gz OXYYITPNRCKYET-UHFFFAOYSA-N 1 0 376.448 2.262 20 0 GEADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)[C@H]1C ZINC000474897913 532631612 /nfs/dbraw/zinc/63/16/12/532631612.db2.gz VQCVUVFRZZKZDR-QEJZJMRPSA-N 1 0 388.555 2.211 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CSc1ccc(Cl)cc1 ZINC000263650639 532631934 /nfs/dbraw/zinc/63/19/34/532631934.db2.gz DMTXYYYBVHNIAX-MRXNPFEDSA-N 1 0 383.945 2.491 20 0 GEADRO Brc1c[nH+]c(NCc2cc3n(n2)CCC3)cc1N1CCOCC1 ZINC000656776914 532632281 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CC[NH+]1CCN(CCC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000263701694 532636618 /nfs/dbraw/zinc/63/66/18/532636618.db2.gz SIDCNMIKCPZNBD-UHFFFAOYSA-N 1 0 398.345 2.314 20 0 GEADRO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CS[C@@H](C(C)(C)C)C3)CC2)cn1 ZINC000377012620 532636793 /nfs/dbraw/zinc/63/67/93/532636793.db2.gz KZTLGTOBZCQNRF-GOEBONIOSA-N 1 0 386.587 2.083 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000531811045 532637378 /nfs/dbraw/zinc/63/73/78/532637378.db2.gz QGDKIZBJLHTVKQ-NSHDSACASA-N 1 0 386.265 2.373 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c1OC ZINC000567048096 532638099 /nfs/dbraw/zinc/63/80/99/532638099.db2.gz LGJMGYOYYPJKMH-MRXNPFEDSA-N 1 0 392.905 2.177 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)NC(=O)NCC[NH+](C)C ZINC000475150174 532638169 /nfs/dbraw/zinc/63/81/69/532638169.db2.gz KQVQOVVBEOXYGT-GFCCVEGCSA-N 1 0 389.281 2.473 20 0 GEADRO CC[NH+]1CCC(CNC(=O)CSc2nnc(-c3cccs3)n2C)CC1 ZINC000567065171 532639032 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Cn1nnc2cc(C[NH2+]C[C@H](O)COc3ccccc3Br)ccc21 ZINC000531956938 532642102 /nfs/dbraw/zinc/64/21/02/532642102.db2.gz BOAZYQWTKXATSZ-ZDUSSCGKSA-N 1 0 391.269 2.260 20 0 GEADRO C[C@H](Oc1ccc(I)cc1)C(=O)N(C)CC1C[NH+](C)C1 ZINC000598155884 532642082 /nfs/dbraw/zinc/64/20/82/532642082.db2.gz AMKUDHZERRWURQ-NSHDSACASA-N 1 0 388.249 2.079 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c(N(C)C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000477141116 532646590 /nfs/dbraw/zinc/64/65/90/532646590.db2.gz SZXHMFGGEBHQFR-ZWKOTPCHSA-N 1 0 383.583 2.261 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000263793242 532642651 /nfs/dbraw/zinc/64/26/51/532642651.db2.gz SWJCHXXHMJNEMF-CQSZACIVSA-N 1 0 386.290 2.150 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000285060786 532643120 /nfs/dbraw/zinc/64/31/20/532643120.db2.gz ONKOAUNXQAZIEQ-BLLLJJGKSA-N 1 0 386.323 2.451 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)Cc3cc(F)ccc3Cl)CC2)C1 ZINC000656907095 532643663 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2.165 20 0 GEADRO COc1ccc(Br)cc1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000566644497 532622490 /nfs/dbraw/zinc/62/24/90/532622490.db2.gz PUYUYWZTCZXSIJ-UHFFFAOYSA-N 1 0 386.334 2.413 20 0 GEADRO CC1(C)NC(=O)N(CC[NH2+][C@H](c2cncc(Br)c2)C2CC2)C1=O ZINC000284807776 532622604 /nfs/dbraw/zinc/62/26/04/532622604.db2.gz PBQVENLNWRKBGW-ZDUSSCGKSA-N 1 0 381.274 2.215 20 0 GEADRO CN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532981101 532659803 /nfs/dbraw/zinc/65/98/03/532659803.db2.gz DPSSPXOHJXTIHA-OAHLLOKOSA-N 1 0 377.286 2.126 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000633038264 532659951 /nfs/dbraw/zinc/65/99/51/532659951.db2.gz GAWHWNITQAAZII-SFYZADRCSA-N 1 0 394.191 2.355 20 0 GEADRO CSc1ccc(Cl)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000567725232 532660280 /nfs/dbraw/zinc/66/02/80/532660280.db2.gz HUEKBMLQQXQCPP-WBVHZDCISA-N 1 0 381.929 2.439 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567734511 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Cn1cc(C[C@H]2CCN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)C2)cn1 ZINC000567807736 532665530 /nfs/dbraw/zinc/66/55/30/532665530.db2.gz WSUSISUGECUEHM-ACJLOTCBSA-N 1 0 391.313 2.448 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000567806937 532666124 /nfs/dbraw/zinc/66/61/24/532666124.db2.gz NBFZKBTZROGVOH-AWEZNQCLSA-N 1 0 384.274 2.043 20 0 GEADRO Cn1c(SCC(=O)NC[C@]2([NH+](C)C)CCSC2)nnc1-c1cccs1 ZINC000481190581 532666989 /nfs/dbraw/zinc/66/69/89/532666989.db2.gz LSTYGPFNQAJXNI-MRXNPFEDSA-N 1 0 397.595 2.189 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000377739664 532667971 /nfs/dbraw/zinc/66/79/71/532667971.db2.gz HFGXPMIWCPZWLF-AWEZNQCLSA-N 1 0 392.352 2.394 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000567885402 532668117 /nfs/dbraw/zinc/66/81/17/532668117.db2.gz OSUMLCVEAFSQJO-IINYFYTJSA-N 1 0 394.324 2.000 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000567880796 532668457 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CSCc1ccc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000532335541 532650320 /nfs/dbraw/zinc/65/03/20/532650320.db2.gz YJXJIMNGEHRRHP-QGZVFWFLSA-N 1 0 384.567 2.131 20 0 GEADRO O=C(Nc1ccnn1Cc1ccccc1Br)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632937138 532650608 /nfs/dbraw/zinc/65/06/08/532650608.db2.gz WEHCGYFTORIOOO-STQMWFEESA-N 1 0 376.258 2.272 20 0 GEADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632935200 532650755 /nfs/dbraw/zinc/65/07/55/532650755.db2.gz BANSWGGSLTXINB-KBPBESRZSA-N 1 0 376.258 2.272 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000298493829 532653682 /nfs/dbraw/zinc/65/36/82/532653682.db2.gz KISDBMPLTZAEHT-UHFFFAOYSA-N 1 0 383.286 2.454 20 0 GEADRO CS[C@H]1CN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)C[C@@H]1[NH+](C)C ZINC000534093072 532668960 /nfs/dbraw/zinc/66/89/60/532668960.db2.gz AIFITMUXWJPYRV-HOTGVXAUSA-N 1 0 383.945 2.354 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccccc2I)C[C@H]1[NH+](C)C ZINC000534092344 532669514 /nfs/dbraw/zinc/66/95/14/532669514.db2.gz FNWJDYLJOXRMNR-CHWSQXEVSA-N 1 0 390.290 2.409 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)Cc3cc(F)ccc3Br)[C@@H]2C1 ZINC000656993751 532654873 /nfs/dbraw/zinc/65/48/73/532654873.db2.gz HXFNNRRUEDAKHK-IINYFYTJSA-N 1 0 377.279 2.054 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000298509087 532654991 /nfs/dbraw/zinc/65/49/91/532654991.db2.gz VPRRQCDWCULOIC-UHFFFAOYSA-N 1 0 392.880 2.033 20 0 GEADRO COc1ccc(Br)c(CNC(=O)c2ccn(CC[NH+](C)C)n2)c1 ZINC000567483909 532655355 /nfs/dbraw/zinc/65/53/55/532655355.db2.gz CRMAQMPNGLUDFR-UHFFFAOYSA-N 1 0 381.274 2.146 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)ccc1Br ZINC000633003537 532655399 /nfs/dbraw/zinc/65/53/99/532655399.db2.gz ZZPVBEXGRCHGQR-LBPRGKRZSA-N 1 0 384.274 2.043 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1Br ZINC000633001679 532655698 /nfs/dbraw/zinc/65/56/98/532655698.db2.gz JVIGIUYEIQBCIH-SMDDNHRTSA-N 1 0 398.301 2.371 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000285182228 532656099 /nfs/dbraw/zinc/65/60/99/532656099.db2.gz KWTDLWRLPKBOHL-NXEZZACHSA-N 1 0 378.420 2.289 20 0 GEADRO CC(C)S(=O)(=O)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000377381200 532656213 /nfs/dbraw/zinc/65/62/13/532656213.db2.gz VYOAIBOVSACORY-ZBFHGGJFSA-N 1 0 387.571 2.253 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1Br ZINC000633009996 532656491 /nfs/dbraw/zinc/65/64/91/532656491.db2.gz FGEXZJBUVBQHDC-AAEUAGOBSA-N 1 0 398.301 2.432 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)ccc1Br ZINC000633009725 532657114 /nfs/dbraw/zinc/65/71/14/532657114.db2.gz CFZIKKIJYJLYHF-GXFFZTMASA-N 1 0 384.274 2.041 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1Br ZINC000633009647 532657295 /nfs/dbraw/zinc/65/72/95/532657295.db2.gz VASJVPSEWFLGFW-MNOVXSKESA-N 1 0 386.290 2.417 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000633029787 532657848 /nfs/dbraw/zinc/65/78/48/532657848.db2.gz XLGJQIVTRVNPQP-AWEZNQCLSA-N 1 0 398.280 2.424 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cn2)C1 ZINC000657033772 532658653 /nfs/dbraw/zinc/65/86/53/532658653.db2.gz MLTGKBFIJPGZMH-LLVKDONJSA-N 1 0 376.320 2.243 20 0 GEADRO O=C(NCCCN1CCOCC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000377454559 532658688 /nfs/dbraw/zinc/65/86/88/532658688.db2.gz QHZUQKGRYDPVBR-UHFFFAOYSA-N 1 0 385.961 2.452 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ncccc2Br)C1 ZINC000657035552 532659077 /nfs/dbraw/zinc/65/90/77/532659077.db2.gz YZNJZZNKJFBNNO-NSHDSACASA-N 1 0 376.320 2.243 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000633040856 532659734 /nfs/dbraw/zinc/65/97/34/532659734.db2.gz KTSNGHWJJAHIPA-ZYHUDNBSSA-N 1 0 384.274 2.123 20 0 GEADRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000568619749 532683702 /nfs/dbraw/zinc/68/37/02/532683702.db2.gz GQRZJFMCQWJHDW-ZDUSSCGKSA-N 1 0 383.432 2.232 20 0 GEADRO NS(=O)(=O)c1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000638178059 532684149 /nfs/dbraw/zinc/68/41/49/532684149.db2.gz DTQQSBLSWQIJOQ-YOEHRIQHSA-N 1 0 383.945 2.436 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cnc2ccsc2c1 ZINC000378232389 532684624 /nfs/dbraw/zinc/68/46/24/532684624.db2.gz UPRMOHFZPHDDQH-UHOFOFEASA-N 1 0 381.523 2.169 20 0 GEADRO NS(=O)(=O)c1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000638178058 532684732 /nfs/dbraw/zinc/68/47/32/532684732.db2.gz DTQQSBLSWQIJOQ-WMLDXEAASA-N 1 0 383.945 2.436 20 0 GEADRO CN(C)S(=O)(=O)CC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000285489892 532685076 /nfs/dbraw/zinc/68/50/76/532685076.db2.gz DJGLRLLIYQTTPF-UHFFFAOYSA-N 1 0 391.896 2.021 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cnc2ccsc2c1 ZINC000378232387 532685335 /nfs/dbraw/zinc/68/53/35/532685335.db2.gz UPRMOHFZPHDDQH-DAXOMENPSA-N 1 0 381.523 2.169 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378235283 532685467 /nfs/dbraw/zinc/68/54/67/532685467.db2.gz XGYIZBDZLYHVME-OCCSQVGLSA-N 1 0 386.901 2.264 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000285510319 532685813 /nfs/dbraw/zinc/68/58/13/532685813.db2.gz JTKLYTDXBCBWAX-UHFFFAOYSA-N 1 0 398.320 2.374 20 0 GEADRO O=C(Cn1cc(Br)cn1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000298718021 532669731 /nfs/dbraw/zinc/66/97/31/532669731.db2.gz CLBDOHQYHUILMF-UHFFFAOYSA-N 1 0 377.286 2.210 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H](C)CCc1ccsc1 ZINC000482518283 532670886 /nfs/dbraw/zinc/67/08/86/532670886.db2.gz IDICTBBDYGGINV-JTQLQIEISA-N 1 0 375.541 2.108 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H](C)CCc1ccccc1F ZINC000482518154 532671455 /nfs/dbraw/zinc/67/14/55/532671455.db2.gz KLRJUBJJIRQKPH-NSHDSACASA-N 1 0 387.502 2.185 20 0 GEADRO CCc1nnc(NC(=O)N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)s1 ZINC000377793986 532671780 /nfs/dbraw/zinc/67/17/80/532671780.db2.gz WENPJPRUOANJFQ-GWCFXTLKSA-N 1 0 380.543 2.898 20 0 GEADRO COC[C@@H](C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)OC ZINC000660034539 532671846 /nfs/dbraw/zinc/67/18/46/532671846.db2.gz ULIQHWREYUZRGV-CQSZACIVSA-N 1 0 386.290 2.156 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(O)c(Br)c2)CCSC1 ZINC000482598120 532672816 /nfs/dbraw/zinc/67/28/16/532672816.db2.gz OQANWTKQVRZLEP-OAHLLOKOSA-N 1 0 388.331 2.391 20 0 GEADRO CC[C@H](C(=O)N[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1)[NH+](C)C ZINC000600357306 532673562 /nfs/dbraw/zinc/67/35/62/532673562.db2.gz PUHQLRXQVHRMJM-CRAIPNDOSA-N 1 0 397.313 2.306 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC([N@H+](C)CCO)CC2)cc1C(F)(F)F ZINC000264460296 532674856 /nfs/dbraw/zinc/67/48/56/532674856.db2.gz PQOLUIZNHKJMIV-UHFFFAOYSA-N 1 0 380.432 2.091 20 0 GEADRO C[C@H](NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1)C(=O)N(C)C ZINC000568307853 532675337 /nfs/dbraw/zinc/67/53/37/532675337.db2.gz BHAFZHMMGPTYFZ-ZDUSSCGKSA-N 1 0 396.329 2.401 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000285372012 532675818 /nfs/dbraw/zinc/67/58/18/532675818.db2.gz RATLQUKPKBSLDJ-GXTWGEPZSA-N 1 0 386.901 2.374 20 0 GEADRO Cc1nn(C)c(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1Br ZINC000285370278 532676390 /nfs/dbraw/zinc/67/63/90/532676390.db2.gz CBDIGMDFHOUNFT-UHFFFAOYSA-N 1 0 391.269 2.267 20 0 GEADRO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000264466057 532676335 /nfs/dbraw/zinc/67/63/35/532676335.db2.gz WCRPMKNSACUMDF-ZFWWWQNUSA-N 1 0 396.329 2.036 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000285372019 532676606 /nfs/dbraw/zinc/67/66/06/532676606.db2.gz RATLQUKPKBSLDJ-OCCSQVGLSA-N 1 0 386.901 2.374 20 0 GEADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000568455252 532677357 /nfs/dbraw/zinc/67/73/57/532677357.db2.gz AQJWLBJDYRPTES-GJZGRUSLSA-N 1 0 387.571 2.136 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000568486669 532677685 /nfs/dbraw/zinc/67/76/85/532677685.db2.gz SEFCLJQLNOAEDR-CYBMUJFWSA-N 1 0 379.917 2.412 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000568464889 532678022 /nfs/dbraw/zinc/67/80/22/532678022.db2.gz DZDYYHYWYNPCPC-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO COc1cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)ccc1OC(F)F ZINC000285401674 532678003 /nfs/dbraw/zinc/67/80/03/532678003.db2.gz IJZNQIQOINZYGJ-UHFFFAOYSA-N 1 0 378.441 2.058 20 0 GEADRO C[NH+](C)C1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438851502 532678228 /nfs/dbraw/zinc/67/82/28/532678228.db2.gz YHQHPRAKTQWCCS-OAHLLOKOSA-N 1 0 375.282 2.354 20 0 GEADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[C@@H]1O ZINC000438856647 532679027 /nfs/dbraw/zinc/67/90/27/532679027.db2.gz XZHXJXMBVUVNRY-WPGHFRTFSA-N 1 0 376.266 2.421 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cc21 ZINC000378061768 532679333 /nfs/dbraw/zinc/67/93/33/532679333.db2.gz TYOCFDNQQOXWAU-AWEZNQCLSA-N 1 0 382.913 2.479 20 0 GEADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000638078017 532679429 /nfs/dbraw/zinc/67/94/29/532679429.db2.gz XUPBGPAHRXGQAZ-QANKJYHBSA-N 1 0 396.329 2.159 20 0 GEADRO COc1nsc(CN2CCC([N@H+](C)CCCO)CC2)c1Br ZINC000638083208 532679660 /nfs/dbraw/zinc/67/96/60/532679660.db2.gz KUTUSZQBSVEIQX-UHFFFAOYSA-N 1 0 378.336 2.193 20 0 GEADRO [NH3+]C[C@@]1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCCOC1 ZINC000638080723 532679901 /nfs/dbraw/zinc/67/99/01/532679901.db2.gz DHGBZDUTOWYAGU-KSSFIOAISA-N 1 0 396.329 2.147 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000285456307 532681057 /nfs/dbraw/zinc/68/10/57/532681057.db2.gz LNOMPUFGZCNRSZ-UHFFFAOYSA-N 1 0 388.281 2.003 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000439063245 532681659 /nfs/dbraw/zinc/68/16/59/532681659.db2.gz FHCJNUHOOCHSKL-TVQRCGJNSA-N 1 0 379.345 2.371 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)Nc4ccc(Br)cc43)[C@@H]2C1 ZINC000568621733 532682379 /nfs/dbraw/zinc/68/23/79/532682379.db2.gz FXQJFHHCCQKTQD-HZUKXOBISA-N 1 0 392.297 2.428 20 0 GEADRO Cc1c(Br)cccc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000535584907 532682426 /nfs/dbraw/zinc/68/24/26/532682426.db2.gz UJHDMXKLXCRNJQ-UHFFFAOYSA-N 1 0 380.330 2.498 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439432143 532691504 /nfs/dbraw/zinc/69/15/04/532691504.db2.gz SOEHCGXHMVWNSZ-GJZGRUSLSA-N 1 0 375.282 2.354 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cc(CSCC[NH3+])nn1 ZINC000603171087 532691644 /nfs/dbraw/zinc/69/16/44/532691644.db2.gz ARVGJDSCORCSOI-JTQLQIEISA-N 1 0 384.303 2.432 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)[C@@H]1n1cccn1 ZINC000639213672 532691661 /nfs/dbraw/zinc/69/16/61/532691661.db2.gz OKBYDCQNGAMRKV-KFWWJZLASA-N 1 0 391.273 2.197 20 0 GEADRO Cn1c(=O)cc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)n(C)c1=O ZINC000299027128 532691770 /nfs/dbraw/zinc/69/17/70/532691770.db2.gz IQIBHBMXTBXDGP-UHFFFAOYSA-N 1 0 392.297 2.406 20 0 GEADRO Cc1c(Br)ccnc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000569202445 532692108 /nfs/dbraw/zinc/69/21/08/532692108.db2.gz BHXWQVIRIOVPBZ-ZDUSSCGKSA-N 1 0 383.290 2.339 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccncc2Br)CCN1C1CC[NH+](C)CC1 ZINC000378367148 532692273 /nfs/dbraw/zinc/69/22/73/532692273.db2.gz CXGFIFWUDBSKTG-CYBMUJFWSA-N 1 0 381.318 2.085 20 0 GEADRO CC[N@H+](CCNC(=O)NCC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000487037650 532692868 /nfs/dbraw/zinc/69/28/68/532692868.db2.gz XPAJFKZHDLRQBE-UHFFFAOYSA-N 1 0 383.290 2.171 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000603391259 532693227 /nfs/dbraw/zinc/69/32/27/532693227.db2.gz XDAPTYYCKFBHLO-JKSUJKDBSA-N 1 0 377.286 2.428 20 0 GEADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640444784 532693831 /nfs/dbraw/zinc/69/38/31/532693831.db2.gz JSNWVEZKAFJOQB-UHFFFAOYSA-N 1 0 391.269 2.226 20 0 GEADRO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439438955 532693797 /nfs/dbraw/zinc/69/37/97/532693797.db2.gz MAUXKZDGXIQHHR-VNQPRFMTSA-N 1 0 392.265 2.112 20 0 GEADRO Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000536583528 532694603 /nfs/dbraw/zinc/69/46/03/532694603.db2.gz QXEPVWQQWJBKRU-HZPDHXFCSA-N 1 0 379.551 2.272 20 0 GEADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1ccc(I)cc1 ZINC000536589072 532695247 /nfs/dbraw/zinc/69/52/47/532695247.db2.gz CUWPXPOXLXYGNH-RYUDHWBXSA-N 1 0 388.249 2.221 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC000640749009 532695851 /nfs/dbraw/zinc/69/58/51/532695851.db2.gz UPOMPFTYGAYOSN-UHFFFAOYSA-N 1 0 388.540 2.053 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000378453491 532695932 /nfs/dbraw/zinc/69/59/32/532695932.db2.gz MQIRPXYNWVGRTM-DOMZBBRYSA-N 1 0 386.359 2.495 20 0 GEADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000569498707 532696224 /nfs/dbraw/zinc/69/62/24/532696224.db2.gz ACLAENGHGNWRLM-VNHYZAJKSA-N 1 0 380.432 2.443 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@@H]21 ZINC000378447824 532696282 /nfs/dbraw/zinc/69/62/82/532696282.db2.gz 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O=S1(=O)CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000569568382 532699834 /nfs/dbraw/zinc/69/98/34/532699834.db2.gz CENRXBBGCFBNFJ-OLZOCXBDSA-N 1 0 381.416 2.002 20 0 GEADRO COc1cc(Br)c(Cn2cc([C@H]([NH3+])[C@H]3CCCO3)nn2)cc1OC ZINC000640860322 532700127 /nfs/dbraw/zinc/70/01/27/532700127.db2.gz PZQVHOKYFPKAHQ-CJNGLKHVSA-N 1 0 397.273 2.285 20 0 GEADRO CC(=O)N(c1nc(CN2CCC3(CC2)SCC(=O)N3C)cs1)C1CC1 ZINC000378625588 532700312 /nfs/dbraw/zinc/70/03/12/532700312.db2.gz WDEJVMKFAYDVPU-UHFFFAOYSA-N 1 0 380.539 2.156 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)CN1CCC2(CC1)SCC(=O)N2C ZINC000378624187 532700327 /nfs/dbraw/zinc/70/03/27/532700327.db2.gz RJDVJDQOKWMRGI-UHFFFAOYSA-N 1 0 383.901 2.284 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000604408293 532700428 /nfs/dbraw/zinc/70/04/28/532700428.db2.gz IRNKHZVUEMSIOY-ZDUSSCGKSA-N 1 0 392.352 2.394 20 0 GEADRO C[C@@H](CNC(=O)Nc1cn(C)cc(Br)c1=O)C[NH+]1CCCCC1 ZINC000666691168 532700998 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NS(=O)(=O)c1ccc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)s1 ZINC000639091124 532688322 /nfs/dbraw/zinc/68/83/22/532688322.db2.gz QURWZXJNWOMPQM-UHFFFAOYSA-N 1 0 385.942 2.197 20 0 GEADRO COc1nsc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1Br ZINC000639087018 532688509 /nfs/dbraw/zinc/68/85/09/532688509.db2.gz VYBFNXCIYOHYRO-SNVBAGLBSA-N 1 0 378.336 2.191 20 0 GEADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cnn3cc(Br)cnc23)c1 ZINC000639090118 532689650 /nfs/dbraw/zinc/68/96/50/532689650.db2.gz FMXOJSSWOFSEKX-INIZCTEOSA-N 1 0 375.270 2.493 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000639083767 532689684 /nfs/dbraw/zinc/68/96/84/532689684.db2.gz JMONYISSWVEMGH-OCCSQVGLSA-N 1 0 386.480 2.310 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000439352049 532690062 /nfs/dbraw/zinc/69/00/62/532690062.db2.gz ORIRWHKVNSAKHW-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000285556946 532690247 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O=C(Nc1cccc2nccn21)c1sccc1S(=O)(=O)N1CCCC1 ZINC000266151826 532705171 /nfs/dbraw/zinc/70/51/71/532705171.db2.gz KVZLIMKIXZTXQR-UHFFFAOYSA-N 1 0 376.463 2.433 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1sccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000285765701 532705471 /nfs/dbraw/zinc/70/54/71/532705471.db2.gz MUWNMTJVPFUHAH-LBPRGKRZSA-N 1 0 378.947 2.373 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000391005765 532706298 /nfs/dbraw/zinc/70/62/98/532706298.db2.gz QEGGIQIWSKBEDR-OAHLLOKOSA-N 1 0 381.318 2.271 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000285789419 532707866 /nfs/dbraw/zinc/70/78/66/532707866.db2.gz ZIRFYDQBXXYCRN-FUNVUKJBSA-N 1 0 386.901 2.372 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000608027027 532707962 /nfs/dbraw/zinc/70/79/62/532707962.db2.gz GAEYCASQWHIANS-IAQYHMDHSA-N 1 0 385.917 2.185 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)[C@H](C)C1 ZINC000608027275 532708232 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C[NH+](C)C1(CNC(=O)CCn2cc(Br)ccc2=O)CCCCC1 ZINC000492245677 532711791 /nfs/dbraw/zinc/71/17/91/532711791.db2.gz HNBYUUZHKCDUOC-UHFFFAOYSA-N 1 0 384.318 2.382 20 0 GEADRO CC[C@](C)([NH3+])c1cn(CC(=O)N(C)Cc2ccccc2Br)nn1 ZINC000395208919 532711866 /nfs/dbraw/zinc/71/18/66/532711866.db2.gz IZCVOOMHIAGCSA-INIZCTEOSA-N 1 0 380.290 2.283 20 0 GEADRO O=S(=O)(c1cncc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000299352320 532712488 /nfs/dbraw/zinc/71/24/88/532712488.db2.gz RJFZFAJWJJSXNH-UHFFFAOYSA-N 1 0 388.331 2.483 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)ccc1S(C)(=O)=O ZINC000285822340 532712772 /nfs/dbraw/zinc/71/27/72/532712772.db2.gz XHILSCQFNCJCSN-ZDUSSCGKSA-N 1 0 389.539 2.107 20 0 GEADRO CC[C@H]([NH2+][C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000538524227 532713037 /nfs/dbraw/zinc/71/30/37/532713037.db2.gz IHIKRJXIGPFXJJ-WOPDTQHZSA-N 1 0 378.947 2.382 20 0 GEADRO C[C@H](C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)CS(C)(=O)=O ZINC000494219802 532713819 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C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@@H]1CCCC[C@@H]1O ZINC000538701939 532716073 /nfs/dbraw/zinc/71/60/73/532716073.db2.gz XAKHPERNLXQBNN-WFASDCNBSA-N 1 0 380.286 2.440 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(Br)cc1O ZINC000645294132 532716155 /nfs/dbraw/zinc/71/61/55/532716155.db2.gz DQDWZBWRMPZWNX-NSHDSACASA-N 1 0 384.274 2.199 20 0 GEADRO CN(C(=O)C(=O)NCCc1ccc(Cl)cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000670494312 532717012 /nfs/dbraw/zinc/71/70/12/532717012.db2.gz NEAOZQSOJPPHCL-HNNXBMFYSA-N 1 0 384.307 2.347 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000670496665 532717999 /nfs/dbraw/zinc/71/79/99/532717999.db2.gz WRDCRTJSEOUFJZ-LBPRGKRZSA-N 1 0 384.307 2.253 20 0 GEADRO CC(C)[N@H+](C)CC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000299503356 532721996 /nfs/dbraw/zinc/72/19/96/532721996.db2.gz OBZIXMSKUDCUOQ-UHFFFAOYSA-N 1 0 397.317 2.361 20 0 GEADRO C[NH+]1CCC2(CC1)CN(Cc1cc3c(cc1Br)OCO3)CCO2 ZINC000646102020 532722399 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CNS(=O)(=O)Cc1ccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000675764828 532740316 /nfs/dbraw/zinc/74/03/16/532740316.db2.gz TVZHMECLJBEFCQ-UHFFFAOYSA-N 1 0 380.432 2.061 20 0 GEADRO O=C(CCOc1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267363451 532741364 /nfs/dbraw/zinc/74/13/64/532741364.db2.gz LZMMKNSUIKNWHN-HNNXBMFYSA-N 1 0 397.313 2.399 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000675782064 532741404 /nfs/dbraw/zinc/74/14/04/532741404.db2.gz MDCMKSYZXXAEJH-CQSZACIVSA-N 1 0 384.343 2.350 20 0 GEADRO NC(=O)[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)c1cccc(Br)c1 ZINC000579495022 532741701 /nfs/dbraw/zinc/74/17/01/532741701.db2.gz KHUVSZNIHQHJHZ-HLLBOEOZSA-N 1 0 394.313 2.499 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@@H]1[NH+]1CCCC1 ZINC000445750180 532754139 /nfs/dbraw/zinc/75/41/39/532754139.db2.gz JEFBHFMTMYVPQU-QANKJYHBSA-N 1 0 382.551 2.210 20 0 GEADRO CCCCN(CCCC)S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000446934882 532756160 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COc1c(Br)ccc(C)c1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620475474 532762799 /nfs/dbraw/zinc/76/27/99/532762799.db2.gz PUJYOQINFCHXNK-CQSZACIVSA-N 1 0 397.313 2.437 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)n1 ZINC000616076744 532748264 /nfs/dbraw/zinc/74/82/64/532748264.db2.gz SDDRPFTUDLVACC-QGZVFWFLSA-N 1 0 385.295 2.389 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301339364 532748779 /nfs/dbraw/zinc/74/87/79/532748779.db2.gz HPOSVTDPIICCPM-SDDRHHMPSA-N 1 0 377.290 2.046 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000443730406 532749347 /nfs/dbraw/zinc/74/93/47/532749347.db2.gz GFNIWUDMWPLVNY-HNNXBMFYSA-N 1 0 389.930 2.054 20 0 GEADRO CNC(=O)CN1CCN(c2c(C)c(C)[nH+]c3ccc(Br)cc32)CC1 ZINC000301355447 532749962 /nfs/dbraw/zinc/74/99/62/532749962.db2.gz LXVHIKWXTDWYQY-UHFFFAOYSA-N 1 0 391.313 2.482 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000580862194 532750468 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C[C@@H]1OCC[C@]12C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)CCO2 ZINC000329949618 532813226 /nfs/dbraw/zinc/81/32/26/532813226.db2.gz LZQRPWHBYZCSEI-LXZKKBNFSA-N 1 0 386.286 2.069 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)NCc2cc(Cl)sc2Cl)CC[N@H+](C)C1 ZINC000413422070 532811987 /nfs/dbraw/zinc/81/19/87/532811987.db2.gz LOKQSAFUOBFVRQ-JTQLQIEISA-N 1 0 380.297 2.301 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@]2(CCOC2)O1 ZINC000330164849 532815269 /nfs/dbraw/zinc/81/52/69/532815269.db2.gz WJZFBNLGSSKKSB-KMFMINBZSA-N 1 0 386.286 2.069 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1ccc(F)c(Cl)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000272213153 532813598 /nfs/dbraw/zinc/81/35/98/532813598.db2.gz IYUGMOWMFIRDLY-LLVKDONJSA-N 1 0 394.871 2.199 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCc1cc(Cl)cc(Br)c1 ZINC000413703511 532813747 /nfs/dbraw/zinc/81/37/47/532813747.db2.gz QIWNZHIZKJFQNH-UHFFFAOYSA-N 1 0 378.698 2.216 20 0 GEADRO CCCC[N@H+](C)CC1CCN(C(=O)NCCC(C)(C)S(C)(=O)=O)CC1 ZINC000413723565 532814136 /nfs/dbraw/zinc/81/41/36/532814136.db2.gz BOSMCMZKMJYTHX-UHFFFAOYSA-N 1 0 375.579 2.353 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cnc1Br ZINC000288112490 532817611 /nfs/dbraw/zinc/81/76/11/532817611.db2.gz JOARWMIEFSUZKK-JSGCOSHPSA-N 1 0 395.301 2.176 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1Br ZINC000330414424 532817975 /nfs/dbraw/zinc/81/79/75/532817975.db2.gz MWLRQLTXJHQQGX-UHFFFAOYSA-N 1 0 386.338 2.051 20 0 GEADRO C[C@@H](CNc1ccc(S(C)(=O)=O)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000288052101 532816106 /nfs/dbraw/zinc/81/61/06/532816106.db2.gz UMQZEIUVDOHVPS-LBPRGKRZSA-N 1 0 379.448 2.157 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccncc2Br)CC1 ZINC000272670827 532816846 /nfs/dbraw/zinc/81/68/46/532816846.db2.gz KSHNBMVAPVQZPI-ZDUSSCGKSA-N 1 0 384.322 2.239 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccncc2Br)CC1 ZINC000272670826 532817029 /nfs/dbraw/zinc/81/70/29/532817029.db2.gz KSHNBMVAPVQZPI-CYBMUJFWSA-N 1 0 384.322 2.239 20 0 GEADRO COc1ccc(C[C@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cn1 ZINC000414082880 532818909 /nfs/dbraw/zinc/81/89/09/532818909.db2.gz CPVVTSMGYPZPBI-LBPRGKRZSA-N 1 0 383.539 2.268 20 0 GEADRO COCCOc1ncccc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414072402 532818916 /nfs/dbraw/zinc/81/89/16/532818916.db2.gz MMUXBVJOMXZTCI-ZDUSSCGKSA-N 1 0 396.285 2.209 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000414108255 532819033 /nfs/dbraw/zinc/81/90/33/532819033.db2.gz GEJGKLOXJCCREX-IPYPFGDCSA-N 1 0 384.318 2.236 20 0 GEADRO COC(=O)c1cnc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)s1 ZINC000414100816 532819187 /nfs/dbraw/zinc/81/91/87/532819187.db2.gz BEFSEQRLXWJYJS-LBPRGKRZSA-N 1 0 389.543 2.031 20 0 GEADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1(C)C ZINC000414098480 532819214 /nfs/dbraw/zinc/81/92/14/532819214.db2.gz JQXNMVZFUJYNLQ-BFHYXJOUSA-N 1 0 375.556 2.455 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000414108260 532819352 /nfs/dbraw/zinc/81/93/52/532819352.db2.gz GEJGKLOXJCCREX-VNHYZAJKSA-N 1 0 384.318 2.236 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000414108257 532819415 /nfs/dbraw/zinc/81/94/15/532819415.db2.gz GEJGKLOXJCCREX-NFAWXSAZSA-N 1 0 384.318 2.236 20 0 GEADRO COc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c(OC)n1 ZINC000414122502 532819436 /nfs/dbraw/zinc/81/94/36/532819436.db2.gz GATQGKUTCXJFOM-NSHDSACASA-N 1 0 382.258 2.201 20 0 GEADRO C[C@@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000272933583 532819581 /nfs/dbraw/zinc/81/95/81/532819581.db2.gz LFLXRGHMCDPYBW-MLGOLLRUSA-N 1 0 382.302 2.432 20 0 GEADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414173522 532819645 /nfs/dbraw/zinc/81/96/45/532819645.db2.gz FTKIWADKRPZXAG-CJNGLKHVSA-N 1 0 385.281 2.399 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc([S@@](C)=O)cc1 ZINC000272926419 532819761 /nfs/dbraw/zinc/81/97/61/532819761.db2.gz JMYNJEIIWNHBFT-CMIBUVNPSA-N 1 0 381.519 2.212 20 0 GEADRO COc1ccc([C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)C(C)C)c(Br)c1 ZINC000414198890 532820272 /nfs/dbraw/zinc/82/02/72/532820272.db2.gz WPXXBLATHVDCEC-WBMJQRKESA-N 1 0 383.290 2.397 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cn2c(n1)CCCC2 ZINC000414053058 532818084 /nfs/dbraw/zinc/81/80/84/532818084.db2.gz AHVDFGXPCPUBPV-CYBMUJFWSA-N 1 0 379.302 2.364 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000288205078 532820843 /nfs/dbraw/zinc/82/08/43/532820843.db2.gz PTABVTFTMSZICP-UWVGGRQHSA-N 1 0 376.404 2.186 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000288205083 532820882 /nfs/dbraw/zinc/82/08/82/532820882.db2.gz PTABVTFTMSZICP-VHSXEESVSA-N 1 0 376.404 2.186 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c(Br)c1 ZINC000414354628 532821576 /nfs/dbraw/zinc/82/15/76/532821576.db2.gz VPCDBYLSKZTYJZ-NSHDSACASA-N 1 0 396.289 2.279 20 0 GEADRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)ncn1 ZINC000414350518 532821714 /nfs/dbraw/zinc/82/17/14/532821714.db2.gz LMZGIRNUCGJVNG-CQSZACIVSA-N 1 0 380.539 2.263 20 0 GEADRO CNS(=O)(=O)C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000273279658 532821736 /nfs/dbraw/zinc/82/17/36/532821736.db2.gz DCWMDCGTIOMZGX-UHFFFAOYSA-N 1 0 375.332 2.395 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCc3cccc(Br)c3C2)nn1 ZINC000414350592 532821856 /nfs/dbraw/zinc/82/18/56/532821856.db2.gz LVZFBKAQQZWRRU-ZDUSSCGKSA-N 1 0 392.301 2.067 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCc3cc(Br)ccc32)nn1 ZINC000414351851 532821916 /nfs/dbraw/zinc/82/19/16/532821916.db2.gz ONKWQHIJGACZQF-AWEZNQCLSA-N 1 0 378.274 2.197 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000288252343 532822077 /nfs/dbraw/zinc/82/20/77/532822077.db2.gz SVYUXUWEIHOXGZ-GXTWGEPZSA-N 1 0 395.301 2.176 20 0 GEADRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414357455 532822219 /nfs/dbraw/zinc/82/22/19/532822219.db2.gz JOIBWHIGGFPKHW-OAHLLOKOSA-N 1 0 393.347 2.373 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000330601737 532822245 /nfs/dbraw/zinc/82/22/45/532822245.db2.gz GUVSAXRTSZJRCJ-CABCVRRESA-N 1 0 391.331 2.278 20 0 GEADRO COc1cc(Br)ccc1CCC[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000273298135 532822290 /nfs/dbraw/zinc/82/22/90/532822290.db2.gz GRNNCSOJOWUSRH-UHFFFAOYSA-N 1 0 398.345 2.272 20 0 GEADRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414362962 532822601 /nfs/dbraw/zinc/82/26/01/532822601.db2.gz WXVZIGYWSOYVJU-SNVBAGLBSA-N 1 0 379.320 2.390 20 0 GEADRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414370520 532823027 /nfs/dbraw/zinc/82/30/27/532823027.db2.gz WQKJRAOJTZBGTM-YPMHNXCESA-N 1 0 377.304 2.001 20 0 GEADRO C[C@H](CNC(=O)c1nc2ccc(Br)cn2n1)[N@@H+]1CCCC[C@H]1C ZINC000414404475 532824802 /nfs/dbraw/zinc/82/48/02/532824802.db2.gz IEIQQKRUOZVJAO-VXGBXAGGSA-N 1 0 380.290 2.485 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccsc2Br)[C@@H](C)C1 ZINC000288366315 532825425 /nfs/dbraw/zinc/82/54/25/532825425.db2.gz DSRFFZZNXYLQTQ-WDEREUQCSA-N 1 0 376.320 2.107 20 0 GEADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000273510570 532825444 /nfs/dbraw/zinc/82/54/44/532825444.db2.gz QULOGIKGDOOYDQ-OAHLLOKOSA-N 1 0 391.265 2.407 20 0 GEADRO CC(C)(CNC(=O)c1nc2ccc(Br)cn2n1)C[NH+]1CCCC1 ZINC000414408672 532825553 /nfs/dbraw/zinc/82/55/53/532825553.db2.gz YYZRIXDYKSMLLZ-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(Br)cn1 ZINC000288371760 532825662 /nfs/dbraw/zinc/82/56/62/532825662.db2.gz FBLSWAHEWXJUMB-RWMBFGLXSA-N 1 0 385.306 2.002 20 0 GEADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)CC(=O)N1Cc1ccccc1 ZINC000414451153 532827783 /nfs/dbraw/zinc/82/77/83/532827783.db2.gz ZSQYPTUYBDDWDH-BBRMVZONSA-N 1 0 378.519 2.431 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccccc3)C2)s1 ZINC000414453579 532828077 /nfs/dbraw/zinc/82/80/77/532828077.db2.gz REDVOWZHGZPPEV-HNNXBMFYSA-N 1 0 378.519 2.085 20 0 GEADRO OCC[C@]1(C[NH2+]Cc2c(Br)cncc2Br)CCOC1 ZINC000330907222 532830054 /nfs/dbraw/zinc/83/00/54/532830054.db2.gz NPPVQBRJPYAXLK-CYBMUJFWSA-N 1 0 394.107 2.485 20 0 GEADRO CNS(=O)(=O)NC1CC[NH+]([C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000330900152 532829276 /nfs/dbraw/zinc/82/92/76/532829276.db2.gz AHEKAZVKSFMTEK-LLVKDONJSA-N 1 0 381.420 2.164 20 0 GEADRO Cc1c(S(=O)(=O)NCC2=CC[N@H+](C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000273717687 532832400 /nfs/dbraw/zinc/83/24/00/532832400.db2.gz GGAAIXDIWCKMNE-UHFFFAOYSA-N 1 0 380.901 2.374 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000414750052 532834562 /nfs/dbraw/zinc/83/45/62/532834562.db2.gz QKHQQVZPNNOHLV-YOEHRIQHSA-N 1 0 396.329 2.020 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000414760431 532834666 /nfs/dbraw/zinc/83/46/66/532834666.db2.gz YSEJZWYHGJEFKH-AWEZNQCLSA-N 1 0 385.339 2.313 20 0 GEADRO COc1ccc(CN2CC[NH+](C3CCOCC3)CC2)c(Br)c1O ZINC000273739382 532832922 /nfs/dbraw/zinc/83/29/22/532832922.db2.gz LMSVLGPFZTYVKG-UHFFFAOYSA-N 1 0 385.302 2.460 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000414751602 532834939 /nfs/dbraw/zinc/83/49/39/532834939.db2.gz SSTHNFFPUPDNGB-WMLDXEAASA-N 1 0 396.329 2.020 20 0 GEADRO C[C@H]1C[C@@H](CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000414726849 532834916 /nfs/dbraw/zinc/83/49/16/532834916.db2.gz AOBVGCNSFPJBQA-STQMWFEESA-N 1 0 377.963 2.096 20 0 GEADRO COC[C@]1(CNCc2ncc(Br)cc2Br)CCC[NH2+]1 ZINC000414941692 532836389 /nfs/dbraw/zinc/83/63/89/532836389.db2.gz AYICBOUIGUTBIH-CYBMUJFWSA-N 1 0 393.123 2.465 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414729287 532834966 /nfs/dbraw/zinc/83/49/66/532834966.db2.gz QSOZJKHHLQHHRY-LBPRGKRZSA-N 1 0 388.921 2.373 20 0 GEADRO COc1cc(CNC[C@H]([NH3+])C2CC2)cc(I)c1OC ZINC000414893584 532835148 /nfs/dbraw/zinc/83/51/48/532835148.db2.gz RPZCGVFPCZVYIX-LBPRGKRZSA-N 1 0 376.238 2.135 20 0 GEADRO CCN(CCC[NH2+][C@@H](C)c1cc(Br)ncc1F)S(C)(=O)=O ZINC000273810989 532835335 /nfs/dbraw/zinc/83/53/35/532835335.db2.gz AVAUJHNKHNBBKO-JTQLQIEISA-N 1 0 382.299 2.305 20 0 GEADRO Cn1c(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)nc2cc(Cl)ccc21 ZINC000414991638 532836622 /nfs/dbraw/zinc/83/66/22/532836622.db2.gz SPFKKLQJZGFMAH-CQSZACIVSA-N 1 0 375.826 2.152 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000415079172 532837289 /nfs/dbraw/zinc/83/72/89/532837289.db2.gz WNJKCWFFJQFOSP-BXKDBHETSA-N 1 0 389.237 2.419 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(Br)ncc1F ZINC000273912808 532837286 /nfs/dbraw/zinc/83/72/86/532837286.db2.gz XYHYTGYFDVGNOM-VHSXEESVSA-N 1 0 380.283 2.058 20 0 GEADRO CS[C@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@H]1[NH+]1CCCC1 ZINC000273947638 532837845 /nfs/dbraw/zinc/83/78/45/532837845.db2.gz DRLSBGFDEHFPAJ-CVEARBPZSA-N 1 0 378.929 2.360 20 0 GEADRO COc1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000415134272 532838365 /nfs/dbraw/zinc/83/83/65/532838365.db2.gz 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ZINC000415276248 532840244 /nfs/dbraw/zinc/84/02/44/532840244.db2.gz WPNFKDWXEKKHFU-GFCCVEGCSA-N 1 0 384.274 2.125 20 0 GEADRO COc1cc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)ccc1Br ZINC000415278060 532840315 /nfs/dbraw/zinc/84/03/15/532840315.db2.gz HJYWITHDNXVJFL-UHFFFAOYSA-N 1 0 384.274 2.174 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415279105 532840545 /nfs/dbraw/zinc/84/05/45/532840545.db2.gz CJHPHJGHBJEONV-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1Cl)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415301488 532840740 /nfs/dbraw/zinc/84/07/40/532840740.db2.gz LYDRIJYCJKMVJH-ZETCQYMHSA-N 1 0 378.629 2.048 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCCCC1 ZINC000415295991 532840764 /nfs/dbraw/zinc/84/07/64/532840764.db2.gz SXTZSWFJXRVHPK-UHFFFAOYSA-N 1 0 390.228 2.444 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000415288366 532840942 /nfs/dbraw/zinc/84/09/42/532840942.db2.gz WRTSDGYPLBSWEN-UHFFFAOYSA-N 1 0 394.191 2.356 20 0 GEADRO 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C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415373204 532842920 /nfs/dbraw/zinc/84/29/20/532842920.db2.gz IFKFYBNONMWJQY-ZDUSSCGKSA-N 1 0 380.286 2.087 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415375706 532843160 /nfs/dbraw/zinc/84/31/60/532843160.db2.gz FUHPRBHWPYQTIR-LLVKDONJSA-N 1 0 398.301 2.372 20 0 GEADRO O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000359870474 206266229 /nfs/dbraw/zinc/26/62/29/206266229.db2.gz MDCFSLRKNMFMNR-AWEZNQCLSA-N 1 0 386.418 2.233 20 0 GEADRO Cc1cc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)ccc1-n1cncn1 ZINC000359876158 206267396 /nfs/dbraw/zinc/26/73/96/206267396.db2.gz SZGLMSSVFNSJDY-QGZVFWFLSA-N 1 0 376.464 2.043 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000415379328 532843217 /nfs/dbraw/zinc/84/32/17/532843217.db2.gz OEXAFLKPJIYRFR-SNVBAGLBSA-N 1 0 379.766 2.088 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000274186504 532843312 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CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000359993265 206277480 /nfs/dbraw/zinc/27/74/80/206277480.db2.gz JVSZUQNAQDSJCE-GOSISDBHSA-N 1 0 395.544 2.347 20 0 GEADRO CNC(=O)CCCN(C)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000359997884 206278182 /nfs/dbraw/zinc/27/81/82/206278182.db2.gz VMRLRSMLZSUMLF-XUVXKRRUSA-N 1 0 386.540 2.455 20 0 GEADRO Cn1cc([C@H](O)CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000359999522 206278508 /nfs/dbraw/zinc/27/85/08/206278508.db2.gz ZLTSRICZOOQELF-GFOJFJKKSA-N 1 0 397.523 2.053 20 0 GEADRO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000072013027 206280919 /nfs/dbraw/zinc/28/09/19/206280919.db2.gz UOQDQSVKNDWEEN-RXVVDRJESA-N 1 0 382.508 2.302 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(F)c(Br)cc1C)[C@@H]1CC[NH2+]C1 ZINC000415393132 532843971 /nfs/dbraw/zinc/84/39/71/532843971.db2.gz OOABNARMKAGURE-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 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2.155 20 0 GEADRO C[C@@H](O)c1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)s1 ZINC000289033631 532845199 /nfs/dbraw/zinc/84/51/99/532845199.db2.gz AAJIMXQMBSPTGL-SNVBAGLBSA-N 1 0 384.299 2.479 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000331836436 532845221 /nfs/dbraw/zinc/84/52/21/532845221.db2.gz CGNPVQSMTBTXHW-CHWSQXEVSA-N 1 0 397.317 2.492 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)CC[N@@H+]1C ZINC000331828524 532845237 /nfs/dbraw/zinc/84/52/37/532845237.db2.gz ROQHQDCRNLUVIH-ZWNOBZJWSA-N 1 0 389.315 2.145 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415433763 532845273 /nfs/dbraw/zinc/84/52/73/532845273.db2.gz VVDOXJWRSHESKX-ZDUSSCGKSA-N 1 0 382.302 2.366 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1F ZINC000415439912 532845469 /nfs/dbraw/zinc/84/54/69/532845469.db2.gz MDOIAPFUOIAFEV-MNOVXSKESA-N 1 0 386.265 2.421 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000331830225 532845529 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GEADRO [NH3+]CC[C@@H](NC(=O)Nc1cc(Br)cnc1-n1cccn1)C(F)F ZINC000415478687 532846927 /nfs/dbraw/zinc/84/69/27/532846927.db2.gz GOCVLUXKLYLRPY-SECBINFHSA-N 1 0 389.204 2.134 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000274269167 532846355 /nfs/dbraw/zinc/84/63/55/532846355.db2.gz ZKWTYOZBPAGRSG-NSHDSACASA-N 1 0 386.290 2.161 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000415455696 532846366 /nfs/dbraw/zinc/84/63/66/532846366.db2.gz WIFCXQGGWGVLNX-ZJUUUORDSA-N 1 0 375.803 2.466 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1Br ZINC000415488321 532847360 /nfs/dbraw/zinc/84/73/60/532847360.db2.gz VJDURIBOQLVLPB-UHFFFAOYSA-N 1 0 386.290 2.230 20 0 GEADRO C[C@@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C[C@@H]1C[NH3+] ZINC000415486800 532847487 /nfs/dbraw/zinc/84/74/87/532847487.db2.gz QWRMKFZSKXMIFK-NEPJUHHUSA-N 1 0 393.289 2.478 20 0 GEADRO CCCCS[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274313955 532847536 /nfs/dbraw/zinc/84/75/36/532847536.db2.gz VVECBZHKJVLDND-CQSZACIVSA-N 1 0 387.571 2.387 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000331989205 532847646 /nfs/dbraw/zinc/84/76/46/532847646.db2.gz YPYLVFWXHUJGSP-DOMZBBRYSA-N 1 0 398.276 2.201 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415484298 532847045 /nfs/dbraw/zinc/84/70/45/532847045.db2.gz HYLQVLNFTVXHFX-UHFFFAOYSA-N 1 0 376.682 2.484 20 0 GEADRO Cc1cc(Br)c(NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1Cl ZINC000415481745 532847085 /nfs/dbraw/zinc/84/70/85/532847085.db2.gz WDPIQHYCMQQIJV-JTQLQIEISA-N 1 0 375.698 2.436 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415500431 532847723 /nfs/dbraw/zinc/84/77/23/532847723.db2.gz MYERAEAWLMSJBX-MRVPVSSYSA-N 1 0 388.266 2.966 20 0 GEADRO CO[C@H]1CCN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)[C@H](C[NH3+])C1 ZINC000415498038 532847727 /nfs/dbraw/zinc/84/77/27/532847727.db2.gz IXMVXVMFHZBWSB-STQMWFEESA-N 1 0 381.889 2.829 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(OC)cc1Br)C1CC[NH2+]CC1 ZINC000415507519 532848296 /nfs/dbraw/zinc/84/82/96/532848296.db2.gz VQWNWCSNVKGIJC-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cc(Cl)c(Cl)cn1 ZINC000415518719 532848388 /nfs/dbraw/zinc/84/83/88/532848388.db2.gz MUOUXRFOPDDHKJ-SNVBAGLBSA-N 1 0 386.205 2.346 20 0 GEADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415527802 532848727 /nfs/dbraw/zinc/84/87/27/532848727.db2.gz OFCURQHWFNKJEH-OKILXGFUSA-N 1 0 390.285 2.377 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1OCC ZINC000415521597 532848828 /nfs/dbraw/zinc/84/88/28/532848828.db2.gz UMJAGNPIBSXZLZ-UHFFFAOYSA-N 1 0 390.253 2.041 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000289162822 532849081 /nfs/dbraw/zinc/84/90/81/532849081.db2.gz SEZZJCMBAHAXEL-UHFFFAOYSA-N 1 0 383.290 2.117 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415559509 532849794 /nfs/dbraw/zinc/84/97/94/532849794.db2.gz ZSNFYJLHFWKWEM-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415553951 532849868 /nfs/dbraw/zinc/84/98/68/532849868.db2.gz PNAVXPULPPTQPV-ZETCQYMHSA-N 1 0 382.180 2.260 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415553210 532849871 /nfs/dbraw/zinc/84/98/71/532849871.db2.gz ODHRWEQYGVYUFV-SSDOTTSWSA-N 1 0 398.179 2.140 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415556089 532850040 /nfs/dbraw/zinc/85/00/40/532850040.db2.gz CEQJUBDJMQTEEN-ZYHUDNBSSA-N 1 0 391.269 2.132 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[NH2+]CC1 ZINC000415570890 532850500 /nfs/dbraw/zinc/85/05/00/532850500.db2.gz MKSOYSMXMMYIOI-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415561416 532850339 /nfs/dbraw/zinc/85/03/39/532850339.db2.gz WIXDIXBXHFUQDI-ZETCQYMHSA-N 1 0 393.079 2.004 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415570121 532850378 /nfs/dbraw/zinc/85/03/78/532850378.db2.gz QDMYHDITXDRULJ-UHFFFAOYSA-N 1 0 384.267 2.032 20 0 GEADRO C[C@]1(CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCC[NH2+]C1 ZINC000415576907 532851033 /nfs/dbraw/zinc/85/10/33/532851033.db2.gz WWYKAHPVOWNSQU-HNNXBMFYSA-N 1 0 390.228 2.172 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCC[NH2+]C1 ZINC000415573157 532851001 /nfs/dbraw/zinc/85/10/01/532851001.db2.gz PLXGOKCZSQUNGY-OAHLLOKOSA-N 1 0 390.228 2.172 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)nc12 ZINC000332281894 532851225 /nfs/dbraw/zinc/85/12/25/532851225.db2.gz IFDLFAZXAKAOSA-RISCZKNCSA-N 1 0 380.290 2.284 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1Br ZINC000415617247 532851286 /nfs/dbraw/zinc/85/12/86/532851286.db2.gz VGCJDNSSMOHIQX-JQWIXIFHSA-N 1 0 382.258 2.451 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415639879 532851590 /nfs/dbraw/zinc/85/15/90/532851590.db2.gz DDMCABDFPXPZBS-QWRGUYRKSA-N 1 0 391.269 2.322 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415636002 532851831 /nfs/dbraw/zinc/85/18/31/532851831.db2.gz KNAAAHFIKUZVRG-LBPRGKRZSA-N 1 0 379.262 2.246 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415638744 532851866 /nfs/dbraw/zinc/85/18/66/532851866.db2.gz OSPCWPISPGFYIM-QWRGUYRKSA-N 1 0 379.262 2.231 20 0 GEADRO [NH3+]CCN(CCO)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000415635390 532851910 /nfs/dbraw/zinc/85/19/10/532851910.db2.gz DBPSWAUMOHOTRD-UHFFFAOYSA-N 1 0 386.239 2.361 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415652899 532852071 /nfs/dbraw/zinc/85/20/71/532852071.db2.gz RKLHYNWKQJDMCH-IUCAKERBSA-N 1 0 376.201 2.052 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415641079 532851787 /nfs/dbraw/zinc/85/17/87/532851787.db2.gz XJVLRFXLVUPJJW-SECBINFHSA-N 1 0 384.303 3.072 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415640491 532851794 /nfs/dbraw/zinc/85/17/94/532851794.db2.gz VGLATVNOHJKGDQ-MNOVXSKESA-N 1 0 384.274 2.091 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000415656758 532852205 /nfs/dbraw/zinc/85/22/05/532852205.db2.gz LMXVJFJKNXJGPU-ABAIWWIYSA-N 1 0 398.301 2.289 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(F)cc1Br ZINC000332350078 532852428 /nfs/dbraw/zinc/85/24/28/532852428.db2.gz OPSPKHHUXNYLNV-WDMOLILDSA-N 1 0 398.276 2.421 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(F)cc1Br ZINC000332350070 532852433 /nfs/dbraw/zinc/85/24/33/532852433.db2.gz OPSPKHHUXNYLNV-COPLHBTASA-N 1 0 398.276 2.421 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1Br ZINC000415660129 532852685 /nfs/dbraw/zinc/85/26/85/532852685.db2.gz AQODSJALLHGWDS-ZWNOBZJWSA-N 1 0 384.274 2.043 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415664210 532852710 /nfs/dbraw/zinc/85/27/10/532852710.db2.gz WUIMLBFCNXIUAQ-JTQLQIEISA-N 1 0 395.223 2.493 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC[NH2+]1 ZINC000415665864 532852763 /nfs/dbraw/zinc/85/27/63/532852763.db2.gz VGIDGUZWAWYWKX-ZWNOBZJWSA-N 1 0 391.269 2.193 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000415667232 532853042 /nfs/dbraw/zinc/85/30/42/532853042.db2.gz XSWWLLJHFNRFHV-PWSUYJOCSA-N 1 0 384.274 2.043 20 0 GEADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289355531 532853051 /nfs/dbraw/zinc/85/30/51/532853051.db2.gz YNPFMHIHVGOKHN-QGZVFWFLSA-N 1 0 381.270 2.436 20 0 GEADRO Cc1nc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(Br)s1 ZINC000332358534 532852918 /nfs/dbraw/zinc/85/29/18/532852918.db2.gz SSYDTVVALYLFLH-SECBINFHSA-N 1 0 375.292 2.334 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1nc2c(s1)CCCC2 ZINC000332355068 532852926 /nfs/dbraw/zinc/85/29/26/532852926.db2.gz VTGVQKRIXXTRSX-KBPBESRZSA-N 1 0 386.587 2.333 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415671700 532853271 /nfs/dbraw/zinc/85/32/71/532853271.db2.gz DFQSELUTMPSIRN-SECBINFHSA-N 1 0 390.228 2.253 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332374844 532853440 /nfs/dbraw/zinc/85/34/40/532853440.db2.gz SVBZYZUSHWUREO-WDMOLILDSA-N 1 0 398.276 2.421 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[NH2+]1 ZINC000415683340 532853557 /nfs/dbraw/zinc/85/35/57/532853557.db2.gz SNBFEKTZCSPOJU-YUMQZZPRSA-N 1 0 392.656 2.437 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415692198 532853616 /nfs/dbraw/zinc/85/36/16/532853616.db2.gz OHJGOXMQIPUGDF-AWEZNQCLSA-N 1 0 392.656 2.377 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415678877 532853682 /nfs/dbraw/zinc/85/36/82/532853682.db2.gz ONMUQQKGDLGJHR-ONGXEEELSA-N 1 0 375.803 2.179 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000415689678 532853687 /nfs/dbraw/zinc/85/36/87/532853687.db2.gz LIMAGWKOXXZIJW-QGZVFWFLSA-N 1 0 398.301 2.372 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415688135 532853743 /nfs/dbraw/zinc/85/37/43/532853743.db2.gz JNQBQQWCJZLTKC-MRXNPFEDSA-N 1 0 375.416 2.319 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000415681522 532853758 /nfs/dbraw/zinc/85/37/58/532853758.db2.gz WXLFKICJKKXAKQ-AWEZNQCLSA-N 1 0 398.301 2.291 20 0 GEADRO CO[C@@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)[C@@H](C[NH3+])C1 ZINC000415700494 532853951 /nfs/dbraw/zinc/85/39/51/532853951.db2.gz CUVIRRJLMZNNGH-GHMZBOCLSA-N 1 0 394.273 2.362 20 0 GEADRO CO[C@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)[C@@H](C[NH3+])C1 ZINC000415700495 532853957 /nfs/dbraw/zinc/85/39/57/532853957.db2.gz CUVIRRJLMZNNGH-MNOVXSKESA-N 1 0 394.273 2.362 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2)n1 ZINC000415721901 532854478 /nfs/dbraw/zinc/85/44/78/532854478.db2.gz BWIARACWJCHFNP-FZMZJTMJSA-N 1 0 376.507 2.489 20 0 GEADRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)ccc1Br ZINC000332399001 532854536 /nfs/dbraw/zinc/85/45/36/532854536.db2.gz MNGNWAPHFUYTIU-MRXNPFEDSA-N 1 0 394.313 2.182 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415694214 532854277 /nfs/dbraw/zinc/85/42/77/532854277.db2.gz QOBXOCGNXPMISL-QGZVFWFLSA-N 1 0 380.286 2.074 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415719335 532854393 /nfs/dbraw/zinc/85/43/93/532854393.db2.gz GQUVPGNVEZQEKX-CPCISQLKSA-N 1 0 394.191 2.355 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(Br)c1 ZINC000415732332 532855056 /nfs/dbraw/zinc/85/50/56/532855056.db2.gz YGAYVDQZANGZSM-HAQNSBGRSA-N 1 0 398.301 2.278 20 0 GEADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415740320 532855082 /nfs/dbraw/zinc/85/50/82/532855082.db2.gz GWERUIISMYNTGI-ZJUUUORDSA-N 1 0 375.778 2.365 20 0 GEADRO CN1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC1=O ZINC000274699997 532854719 /nfs/dbraw/zinc/85/47/19/532854719.db2.gz XSPYUIJZEWBZMY-SECBINFHSA-N 1 0 377.080 2.114 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415730268 532854937 /nfs/dbraw/zinc/85/49/37/532854937.db2.gz TYFYVFUKFSCGNO-SECBINFHSA-N 1 0 386.246 2.118 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H](C)CCCC[NH3+])cc1Br ZINC000415744001 532855479 /nfs/dbraw/zinc/85/54/79/532855479.db2.gz OYDHIWVNEWRYCF-LLVKDONJSA-N 1 0 386.290 2.420 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415746041 532855484 /nfs/dbraw/zinc/85/54/84/532855484.db2.gz UCSZHDRXGSJFOZ-QMMMGPOBSA-N 1 0 378.217 2.300 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415746390 532855658 /nfs/dbraw/zinc/85/56/58/532855658.db2.gz URJGFGOFOIYLIP-WCQYABFASA-N 1 0 384.249 2.031 20 0 GEADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000289470390 532855688 /nfs/dbraw/zinc/85/56/88/532855688.db2.gz AUKDUUYEDLYBQH-JKSUJKDBSA-N 1 0 394.313 2.122 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000415755523 532855931 /nfs/dbraw/zinc/85/59/31/532855931.db2.gz CKNUKDDUZBJUDN-LLVKDONJSA-N 1 0 386.290 2.418 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415761331 532855934 /nfs/dbraw/zinc/85/59/34/532855934.db2.gz GPJZHDSUCMJHCV-TZMCWYRMSA-N 1 0 380.286 2.160 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415744511 532855453 /nfs/dbraw/zinc/85/54/53/532855453.db2.gz LGDZWXJZTIMSQC-OLZOCXBDSA-N 1 0 380.286 2.018 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415758355 532856135 /nfs/dbraw/zinc/85/61/35/532856135.db2.gz IHJUAIPQFHICSV-SECBINFHSA-N 1 0 381.782 2.463 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1Cl)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415764277 532856390 /nfs/dbraw/zinc/85/63/90/532856390.db2.gz SJJLVNKGMFRVBI-ZVVJDGAVSA-N 1 0 393.068 2.028 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415767141 532856433 /nfs/dbraw/zinc/85/64/33/532856433.db2.gz ALCNLRRUERLKSW-NSHDSACASA-N 1 0 375.210 2.159 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415763377 532856482 /nfs/dbraw/zinc/85/64/82/532856482.db2.gz XLJQJIYCNOLWOB-VXGBXAGGSA-N 1 0 378.274 2.836 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000332514413 532856671 /nfs/dbraw/zinc/85/66/71/532856671.db2.gz JJWCSVYFTBIJSF-UHFFFAOYSA-N 1 0 395.297 2.140 20 0 GEADRO COCCOCCOCCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289513376 532857322 /nfs/dbraw/zinc/85/73/22/532857322.db2.gz NGUJFZBPBZLLNI-UHFFFAOYSA-N 1 0 386.290 2.256 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415801507 532857727 /nfs/dbraw/zinc/85/77/27/532857727.db2.gz FLOZZXIRSRAVQV-CMPLNLGQSA-N 1 0 384.274 2.030 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1Br ZINC000415802041 532857900 /nfs/dbraw/zinc/85/79/00/532857900.db2.gz HGGWVHCVLFGGAB-LBPRGKRZSA-N 1 0 398.301 2.435 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1Cl)C(F)F ZINC000415795997 532857670 /nfs/dbraw/zinc/85/76/70/532857670.db2.gz YMGGZJFZKMANFE-MRVPVSSYSA-N 1 0 384.608 2.140 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415804305 532858247 /nfs/dbraw/zinc/85/82/47/532858247.db2.gz LIZNBYMSMFBTMZ-VIFPVBQESA-N 1 0 390.228 2.314 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415804469 532858273 /nfs/dbraw/zinc/85/82/73/532858273.db2.gz IDAXRMSGXJLRML-DGCLKSJQSA-N 1 0 398.301 2.420 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000415804271 532858328 /nfs/dbraw/zinc/85/83/28/532858328.db2.gz LEAXZFUOCFGSAM-CABCVRRESA-N 1 0 386.279 2.287 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC[NH2+]1 ZINC000415820883 532858787 /nfs/dbraw/zinc/85/87/87/532858787.db2.gz DCUWWJBPQOZOCF-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415819863 532858822 /nfs/dbraw/zinc/85/88/22/532858822.db2.gz JPZAJYLQBPLTQX-NWDGAFQWSA-N 1 0 398.276 2.375 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415821780 532858868 /nfs/dbraw/zinc/85/88/68/532858868.db2.gz OCEOMBBAVJWYCM-VXGBXAGGSA-N 1 0 398.276 2.375 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415803654 532858426 /nfs/dbraw/zinc/85/84/26/532858426.db2.gz HHRSCOLJMJRZEH-QWRGUYRKSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[C@@H]1[NH3+] ZINC000332614207 532858577 /nfs/dbraw/zinc/85/85/77/532858577.db2.gz AYDMRGVCOYDTAX-XPKDYRNWSA-N 1 0 381.318 2.407 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1Br ZINC000415823691 532858591 /nfs/dbraw/zinc/85/85/91/532858591.db2.gz RFSWHQODOVXQSJ-CQSZACIVSA-N 1 0 398.301 2.420 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415821535 532858954 /nfs/dbraw/zinc/85/89/54/532858954.db2.gz HITICYFMRJPOBM-CQSZACIVSA-N 1 0 386.265 2.469 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000415835503 532859779 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20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)CC(=O)Nc1ccccc1Br ZINC000289595196 532860207 /nfs/dbraw/zinc/86/02/07/532860207.db2.gz ZVEWEKLPIJMQBO-UHFFFAOYSA-N 1 0 385.350 2.203 20 0 GEADRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1Cl ZINC000415843674 532860332 /nfs/dbraw/zinc/86/03/32/532860332.db2.gz SNKIPONIUGAABU-LBPRGKRZSA-N 1 0 381.782 2.462 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000289599155 532860534 /nfs/dbraw/zinc/86/05/34/532860534.db2.gz NPVLYLMMFOXGHI-CYBMUJFWSA-N 1 0 385.917 2.078 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415851073 532860685 /nfs/dbraw/zinc/86/06/85/532860685.db2.gz OSAXAKHLDJLQGM-KOLCDFICSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000415853971 532860790 /nfs/dbraw/zinc/86/07/90/532860790.db2.gz VNISUCLBSXSAFZ-ZJUUUORDSA-N 1 0 375.803 2.323 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415866875 532861032 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GEADRO O=C(Nc1cc(F)ccc1SCC(F)F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415875053 532861697 /nfs/dbraw/zinc/86/16/97/532861697.db2.gz YEZSWPPRESEZHY-LLVKDONJSA-N 1 0 375.416 2.380 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)c1Br ZINC000415877667 532861435 /nfs/dbraw/zinc/86/14/35/532861435.db2.gz KUQAMHVCKBZOSF-UHFFFAOYSA-N 1 0 384.249 2.261 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415879180 532861439 /nfs/dbraw/zinc/86/14/39/532861439.db2.gz PACDKYBLZVUUNK-FRRDWIJNSA-N 1 0 380.286 2.200 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)n2)s1 ZINC000415900656 532862074 /nfs/dbraw/zinc/86/20/74/532862074.db2.gz WKWUHPHSAXXIPT-RYUDHWBXSA-N 1 0 376.507 2.186 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415882524 532861941 /nfs/dbraw/zinc/86/19/41/532861941.db2.gz WQFWMSVQHOVOSD-SDDRHHMPSA-N 1 0 398.276 2.339 20 0 GEADRO C[C@H](NC(=O)Nc1ccc(OCC[NH3+])cc1)c1ncc(Br)cn1 ZINC000415948684 532861943 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[NH3+]CC[C@@H](NC(=O)NCc1cc(Br)cc2c1OCC2)C(F)(F)F ZINC000416032126 532863452 /nfs/dbraw/zinc/86/34/52/532863452.db2.gz PSIOPHXTIIHWCH-LLVKDONJSA-N 1 0 396.207 2.463 20 0 GEADRO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000416044706 532863548 /nfs/dbraw/zinc/86/35/48/532863548.db2.gz MIYNHRVAQVQPAI-ZWNOBZJWSA-N 1 0 381.420 2.120 20 0 GEADRO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000416044703 532863553 /nfs/dbraw/zinc/86/35/53/532863553.db2.gz MIYNHRVAQVQPAI-GWCFXTLKSA-N 1 0 381.420 2.120 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000289690679 532863569 /nfs/dbraw/zinc/86/35/69/532863569.db2.gz KAHPWKMMOUAKSX-VXGBXAGGSA-N 1 0 393.322 2.390 20 0 GEADRO C[C@@H](c1nc(-c2cccs2)no1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333082306 532863690 /nfs/dbraw/zinc/86/36/90/532863690.db2.gz XJMVTPBTOQAWKB-QWHCGFSZSA-N 1 0 382.511 2.359 20 0 GEADRO COCC[N@H+](C)CCNC(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000416141899 532864934 /nfs/dbraw/zinc/86/49/34/532864934.db2.gz AYNMBFWRVJFHNQ-UHFFFAOYSA-N 1 0 385.302 2.184 20 0 GEADRO C[NH+]1CCN(CCNC(=O)Cc2cc(Cl)c(Br)cc2F)CC1 ZINC000416129361 532864999 /nfs/dbraw/zinc/86/49/99/532864999.db2.gz VYDBUPXHRYZROB-UHFFFAOYSA-N 1 0 392.700 2.148 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000333166402 532865207 /nfs/dbraw/zinc/86/52/07/532865207.db2.gz MVIRYJSWYCWIKU-GXTWGEPZSA-N 1 0 388.917 2.462 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000289837822 532865839 /nfs/dbraw/zinc/86/58/39/532865839.db2.gz DZVDZQGVEKDNOC-QWRGUYRKSA-N 1 0 378.279 2.400 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000416163998 532866053 /nfs/dbraw/zinc/86/60/53/532866053.db2.gz ZVMQNFCHAYQVKE-UHFFFAOYSA-N 1 0 391.331 2.069 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)CCSC1 ZINC000275146622 532866461 /nfs/dbraw/zinc/86/64/61/532866461.db2.gz MXPRUIRJGRHZOF-GOEBONIOSA-N 1 0 376.444 2.162 20 0 GEADRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000275138984 532866208 /nfs/dbraw/zinc/86/62/08/532866208.db2.gz UPKBEECOFAQELY-AAEUAGOBSA-N 1 0 395.219 2.483 20 0 GEADRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000289852187 532866553 /nfs/dbraw/zinc/86/65/53/532866553.db2.gz VCGOCZRSWKNNAZ-GFCCVEGCSA-N 1 0 382.258 2.376 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C[C@@H]1[NH3+] ZINC000333286604 532866582 /nfs/dbraw/zinc/86/65/82/532866582.db2.gz ILDAEGZLDHJCFK-BDAKNGLRSA-N 1 0 382.287 2.779 20 0 GEADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333283480 532866709 /nfs/dbraw/zinc/86/67/09/532866709.db2.gz HXUUQLAXDWOVPO-PHIMTYICSA-N 1 0 394.298 2.651 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)CCSC1 ZINC000275146623 532866469 /nfs/dbraw/zinc/86/64/69/532866469.db2.gz MXPRUIRJGRHZOF-HOCLYGCPSA-N 1 0 376.444 2.162 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333336755 532867076 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O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333400743 532867976 /nfs/dbraw/zinc/86/79/76/532867976.db2.gz YQWZPEAQRUJHTM-FICVDOATSA-N 1 0 393.285 2.024 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333399023 532868101 /nfs/dbraw/zinc/86/81/01/532868101.db2.gz YMMBUPXEUPPTML-AAEUAGOBSA-N 1 0 391.273 2.246 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCOc1cccc(Br)c1 ZINC000416289587 532869274 /nfs/dbraw/zinc/86/92/74/532869274.db2.gz FQTXXPOUGUOJRS-ZIAGYGMSSA-N 1 0 385.302 2.132 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)C[C@H]2CCCCC2(F)F)CC1 ZINC000333491085 532869453 /nfs/dbraw/zinc/86/94/53/532869453.db2.gz DHPQYZUYUSZXRB-BZUAXINKSA-N 1 0 380.501 2.360 20 0 GEADRO Cc1c(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cnn1-c1ccc(Cl)cc1 ZINC000333496621 532869488 /nfs/dbraw/zinc/86/94/88/532869488.db2.gz DZFMNVMMMXWRMO-XJKSGUPXSA-N 1 0 380.901 2.207 20 0 GEADRO O=C(NCCc1cc(Cl)ccc1Br)N1CCOC2(C[NH2+]C2)C1 ZINC000333494628 532869533 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2.386 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CCc2c1ccc(F)c2Br ZINC000333565924 532870917 /nfs/dbraw/zinc/87/09/17/532870917.db2.gz LWPQUTFMOCGTLD-YGRLFVJLSA-N 1 0 386.265 2.253 20 0 GEADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1OC ZINC000290048398 532871064 /nfs/dbraw/zinc/87/10/64/532871064.db2.gz GGTFWQLQWNAPTB-NSHDSACASA-N 1 0 392.315 2.381 20 0 GEADRO COc1cc(NC(=O)c2nn(C)cc2Br)ccc1OCC[NH+](C)C ZINC000416332803 532871079 /nfs/dbraw/zinc/87/10/79/532871079.db2.gz IOYNSYIGIBZTOU-UHFFFAOYSA-N 1 0 397.273 2.384 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CC2)C1 ZINC000333652840 532871532 /nfs/dbraw/zinc/87/15/32/532871532.db2.gz KDRHXBDGEGRBPS-NHYWBVRUSA-N 1 0 378.416 2.011 20 0 GEADRO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000290091280 532872321 /nfs/dbraw/zinc/87/23/21/532872321.db2.gz XDPDJLFKMNMKRY-LBPRGKRZSA-N 1 0 395.276 2.189 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000333717388 532872379 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379.555 2.120 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000290148474 532874171 /nfs/dbraw/zinc/87/41/71/532874171.db2.gz ORUOUOMQLCJBFW-SNVBAGLBSA-N 1 0 376.272 2.092 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416385823 532874459 /nfs/dbraw/zinc/87/44/59/532874459.db2.gz HHGNHODHEDCVTN-AWEZNQCLSA-N 1 0 387.933 2.161 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c(F)cc1Br ZINC000416395124 532875378 /nfs/dbraw/zinc/87/53/78/532875378.db2.gz YPZNSBVEFJVNJA-NSHDSACASA-N 1 0 379.295 2.469 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333932868 532875897 /nfs/dbraw/zinc/87/58/97/532875897.db2.gz HEAFSISQQIXWNX-TZMCWYRMSA-N 1 0 396.285 2.114 20 0 GEADRO COCCc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000275435626 532876049 /nfs/dbraw/zinc/87/60/49/532876049.db2.gz FZCLDMUHUSBIQO-QZTJIDSGSA-N 1 0 384.567 2.076 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000333933445 532876189 /nfs/dbraw/zinc/87/61/89/532876189.db2.gz HRFYRYUJANYZLA-GFCCVEGCSA-N 1 0 380.290 2.342 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000290264473 532876424 /nfs/dbraw/zinc/87/64/24/532876424.db2.gz VNDGLCKAWOMGPN-VXGBXAGGSA-N 1 0 392.363 2.476 20 0 GEADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290335544 532878713 /nfs/dbraw/zinc/87/87/13/532878713.db2.gz HRMDHZSUPQEODI-QWHCGFSZSA-N 1 0 375.270 2.316 20 0 GEADRO CC(=O)OC(C)(C)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000275574791 532879145 /nfs/dbraw/zinc/87/91/45/532879145.db2.gz ILNLPVIFOMHCBH-UHFFFAOYSA-N 1 0 382.258 2.406 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@@H](C)Cc2cccc(Br)c2)CCC[NH2+]1 ZINC000417274733 532879221 /nfs/dbraw/zinc/87/92/21/532879221.db2.gz AQXOIVADISUNPG-GUYCJALGSA-N 1 0 384.318 2.448 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417278325 532879476 /nfs/dbraw/zinc/87/94/76/532879476.db2.gz ITIRKEQADNSGRD-WMLDXEAASA-N 1 0 395.345 2.069 20 0 GEADRO [NH3+]C1(CNC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCC1 ZINC000417263517 532879564 /nfs/dbraw/zinc/87/95/64/532879564.db2.gz QBYQHGZVJZNJBD-ZDUSSCGKSA-N 1 0 381.318 2.456 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[NH2+]C(C)(C)C2)cc1OC ZINC000417446606 532879933 /nfs/dbraw/zinc/87/99/33/532879933.db2.gz MIEUKXMAVFMDQK-UHFFFAOYSA-N 1 0 386.290 2.360 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1Br ZINC000275712698 532881918 /nfs/dbraw/zinc/88/19/18/532881918.db2.gz HDOYHMVHTCAXFP-JTQLQIEISA-N 1 0 392.319 2.026 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419567392 532881951 /nfs/dbraw/zinc/88/19/51/532881951.db2.gz JWMAEBMYCWDKDD-GFCCVEGCSA-N 1 0 384.307 2.467 20 0 GEADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)cc1 ZINC000290492081 532882113 /nfs/dbraw/zinc/88/21/13/532882113.db2.gz VZINLPZUEWRNGL-CYBMUJFWSA-N 1 0 383.539 2.314 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419578514 532882427 /nfs/dbraw/zinc/88/24/27/532882427.db2.gz XOPMMMLVIJOBQL-UPJWGTAASA-N 1 0 384.307 2.394 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCOCC2CCCC2)cc1Br ZINC000419722778 532882808 /nfs/dbraw/zinc/88/28/08/532882808.db2.gz BTDXOFKPVVMOHC-UHFFFAOYSA-N 1 0 391.331 2.393 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000420451452 532883914 /nfs/dbraw/zinc/88/39/14/532883914.db2.gz QPGUPPDOANCXNH-ZDUSSCGKSA-N 1 0 378.336 2.167 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419870329 532883152 /nfs/dbraw/zinc/88/31/52/532883152.db2.gz KCILTZKCOSCIHU-GJZGRUSLSA-N 1 0 382.302 2.102 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419880816 532883309 /nfs/dbraw/zinc/88/33/09/532883309.db2.gz HMUYOHMRBRQHPS-KGLIPLIRSA-N 1 0 396.329 2.302 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000419878586 532883372 /nfs/dbraw/zinc/88/33/72/532883372.db2.gz JOXXPLXFZFPPTC-HNNXBMFYSA-N 1 0 384.307 2.253 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000290549363 532883542 /nfs/dbraw/zinc/88/35/42/532883542.db2.gz JFEXZMCUDFXGNA-CYBMUJFWSA-N 1 0 389.949 2.441 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000420457609 532883762 /nfs/dbraw/zinc/88/37/62/532883762.db2.gz HXUOINIWFGEERS-MLGOLLRUSA-N 1 0 386.901 2.279 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000418419882 532880762 /nfs/dbraw/zinc/88/07/62/532880762.db2.gz ZLSPWKOZQPICIX-HNNXBMFYSA-N 1 0 387.311 2.444 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418436356 532880841 /nfs/dbraw/zinc/88/08/41/532880841.db2.gz GRRPNSIZVLHOCX-RISCZKNCSA-N 1 0 376.270 2.294 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418446799 532881202 /nfs/dbraw/zinc/88/12/02/532881202.db2.gz ZVYDGRZOBLEECE-CYBMUJFWSA-N 1 0 386.334 2.417 20 0 GEADRO CCC[NH2+]CCNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418468960 532881243 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2.188 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000290593923 532884842 /nfs/dbraw/zinc/88/48/42/532884842.db2.gz IVAKVFKPLDJZHU-UHFFFAOYSA-N 1 0 397.361 2.218 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000360271494 532889887 /nfs/dbraw/zinc/88/98/87/532889887.db2.gz SFXUERNQVIGFTA-OAHLLOKOSA-N 1 0 398.276 2.143 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3nc(C)cs3)CC2)cc1 ZINC000360094013 532890092 /nfs/dbraw/zinc/89/00/92/532890092.db2.gz WSWPIRYKUWDQGI-UHFFFAOYSA-N 1 0 381.523 2.403 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000276077783 532888548 /nfs/dbraw/zinc/88/85/48/532888548.db2.gz LYOKKCUNFPDQBE-LBPRGKRZSA-N 1 0 392.297 2.105 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc3c(c2)SCC(=O)N3)C[C@H]1[NH+]1CCCC1 ZINC000290853236 532890872 /nfs/dbraw/zinc/89/08/72/532890872.db2.gz ZEPKRAVKEKPWQC-GDBMZVCRSA-N 1 0 377.535 2.383 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000290873935 532891678 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Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000276420790 532895287 /nfs/dbraw/zinc/89/52/87/532895287.db2.gz GIXPOJAFAUCRCU-MEBBXXQBSA-N 1 0 398.276 2.434 20 0 GEADRO [NH3+]CC1(O)CCN(C(=O)CCc2cc(Cl)ccc2Br)CC1 ZINC000424059765 532895293 /nfs/dbraw/zinc/89/52/93/532895293.db2.gz PCEUYZHDTBUDGQ-UHFFFAOYSA-N 1 0 375.694 2.347 20 0 GEADRO O=C(c1ccncc1I)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000362413693 532896114 /nfs/dbraw/zinc/89/61/14/532896114.db2.gz NJCADMZYFNJVDS-LBPRGKRZSA-N 1 0 385.249 2.387 20 0 GEADRO CC(C)[N@H+]1C[C@H](NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)[C@@H](C)C1 ZINC000291115025 532896247 /nfs/dbraw/zinc/89/62/47/532896247.db2.gz VGUWMECQHDXQCO-JURCDPSOSA-N 1 0 385.555 2.383 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000424645712 532897072 /nfs/dbraw/zinc/89/70/72/532897072.db2.gz IPLMHVNIRGRQBB-ZDUSSCGKSA-N 1 0 384.318 2.132 20 0 GEADRO O=C(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Nc1ccc(Br)cc1 ZINC000363161173 532897163 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C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000363443618 532898869 /nfs/dbraw/zinc/89/88/69/532898869.db2.gz XHBBLZDLXRWXIV-KBMXLJTQSA-N 1 0 376.881 2.351 20 0 GEADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000363761228 532901092 /nfs/dbraw/zinc/90/10/92/532901092.db2.gz AFKBOPBSFLTWKG-LSDHHAIUSA-N 1 0 378.314 2.486 20 0 GEADRO O=C(CCN1CCN2C(=O)OC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000363840432 532901510 /nfs/dbraw/zinc/90/15/10/532901510.db2.gz CLNWONYXNBWJCK-NSHDSACASA-N 1 0 386.221 2.053 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000364260510 532905383 /nfs/dbraw/zinc/90/53/83/532905383.db2.gz RPXOEKRDNFTRNA-LSDHHAIUSA-N 1 0 389.315 2.350 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000364050086 532903066 /nfs/dbraw/zinc/90/30/66/532903066.db2.gz JAFDBXFXYBIOLR-MRXNPFEDSA-N 1 0 384.307 2.477 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)NC[C@@H]1CSCCS1 ZINC000364115956 532903500 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2.059 20 0 GEADRO Cc1cc(CC(C)(C)[NH2+]Cc2cn(C)c(=O)n(C)c2=O)ccc1Br ZINC000291759757 532908363 /nfs/dbraw/zinc/90/83/63/532908363.db2.gz RHWFQAUWFOUKOF-UHFFFAOYSA-N 1 0 394.313 2.266 20 0 GEADRO CCN1C(=O)[C@H]2CN(c3ccnc4cc(Br)ccc43)CCN2C1=O ZINC000364867156 532908483 /nfs/dbraw/zinc/90/84/83/532908483.db2.gz CONWDVQKGPYIDX-OAHLLOKOSA-N 1 0 389.253 2.470 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000365226193 532909030 /nfs/dbraw/zinc/90/90/30/532909030.db2.gz ZOWCJHVWTFJCDG-JKOKRWQUSA-N 1 0 389.315 2.206 20 0 GEADRO CCc1n[nH]c(C(=O)N(CCCOC)C2CC[NH+](C)CC2)c1Br ZINC000291814775 532909061 /nfs/dbraw/zinc/90/90/61/532909061.db2.gz DDZCVSUPYOXDKC-UHFFFAOYSA-N 1 0 387.322 2.308 20 0 GEADRO O=C(CCc1nc(-c2cccs2)no1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365871651 532912643 /nfs/dbraw/zinc/91/26/43/532912643.db2.gz RJYWOVJLOSGOQH-CYBMUJFWSA-N 1 0 378.523 2.380 20 0 GEADRO C[NH+]1CCC(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)CC1 ZINC000365887168 532912724 /nfs/dbraw/zinc/91/27/24/532912724.db2.gz JSRHFPHJXRIZLS-KRWDZBQOSA-N 1 0 394.313 2.181 20 0 GEADRO COc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000365711274 532911654 /nfs/dbraw/zinc/91/16/54/532911654.db2.gz ZRGDYNWXGVTPSG-ZKYQVNSYSA-N 1 0 389.315 2.206 20 0 GEADRO Cn1ncc(I)c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000292298238 532915079 /nfs/dbraw/zinc/91/50/79/532915079.db2.gz UILWFIDFMRMKBF-ZDUSSCGKSA-N 1 0 398.248 2.057 20 0 GEADRO O=C(/C=C/c1c(Cl)nc2sccn12)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366194310 532915133 /nfs/dbraw/zinc/91/51/33/532915133.db2.gz ZCYRYLYDRMVRNU-ZIYVKSGCSA-N 1 0 380.901 2.432 20 0 GEADRO C[NH+](C)C[C@H]1CN(Cc2csc(CS(C)(=O)=O)n2)c2ccccc2O1 ZINC000366175549 532915201 /nfs/dbraw/zinc/91/52/01/532915201.db2.gz YGAYLJYFHDAXQJ-AWEZNQCLSA-N 1 0 381.523 2.017 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366317933 532916234 /nfs/dbraw/zinc/91/62/34/532916234.db2.gz FGIWBDJDQNOCGZ-KOLCDFICSA-N 1 0 379.707 2.475 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(I)cnn1C ZINC000292346581 532915593 /nfs/dbraw/zinc/91/55/93/532915593.db2.gz TWNBYNVYFBGACP-LLVKDONJSA-N 1 0 392.285 2.265 20 0 GEADRO CC(C)[NH+](CCCNC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O)C(C)C ZINC000366278816 532916027 /nfs/dbraw/zinc/91/60/27/532916027.db2.gz JMXPZXDUKKRPEU-QGZVFWFLSA-N 1 0 375.579 2.494 20 0 GEADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3c(F)cccc3Br)C2)CC1 ZINC000365908707 532913100 /nfs/dbraw/zinc/91/31/00/532913100.db2.gz PZJWSAARBWISFQ-GFCCVEGCSA-N 1 0 384.293 2.487 20 0 GEADRO CCC[NH+]1CCC(N2CCN(Cc3c(Br)c(C)nn3C)CC2)CC1 ZINC000365964194 532913340 /nfs/dbraw/zinc/91/33/40/532913340.db2.gz GSQHFXUCYIATAV-UHFFFAOYSA-N 1 0 398.393 2.483 20 0 GEADRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000366324726 532916473 /nfs/dbraw/zinc/91/64/73/532916473.db2.gz OIHWSISHLHNUES-HNNXBMFYSA-N 1 0 386.279 2.159 20 0 GEADRO O=S(=O)(CC[NH+]1CCCC1)NCc1noc(-c2ccc(Cl)cc2F)n1 ZINC000366503658 532918058 /nfs/dbraw/zinc/91/80/58/532918058.db2.gz FRSPHQJTUYGMNU-UHFFFAOYSA-N 1 0 388.852 2.044 20 0 GEADRO O=C(N1CC[C@H]2C[NH2+]C[C@H]21)C1(c2ccc(Br)cc2)CCOCC1 ZINC000366513674 532918238 /nfs/dbraw/zinc/91/82/38/532918238.db2.gz KVPPEJJHSQFWPR-XJKSGUPXSA-N 1 0 379.298 2.318 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000292783046 532918411 /nfs/dbraw/zinc/91/84/11/532918411.db2.gz XMMMRJOJKOLJDS-UHFFFAOYSA-N 1 0 399.285 2.078 20 0 GEADRO Cn1ncc(I)c1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000292821570 532918916 /nfs/dbraw/zinc/91/89/16/532918916.db2.gz OMKVSEPWYMWQHT-LLVKDONJSA-N 1 0 392.285 2.121 20 0 GEADRO COc1ccsc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000366935746 532922131 /nfs/dbraw/zinc/92/21/31/532922131.db2.gz KCGPQGPHSMLIKK-LSDHHAIUSA-N 1 0 382.507 2.189 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NCCC[NH+](C)C)cc1Cl ZINC000292830949 532919245 /nfs/dbraw/zinc/91/92/45/532919245.db2.gz BLGHTMMSXRCHLN-UHFFFAOYSA-N 1 0 385.711 2.341 20 0 GEADRO Cc1csc(NC(=O)[C@H]2CCC[N@H+](C[C@@H](O)COCC(F)(F)F)C2)n1 ZINC000366604339 532919469 /nfs/dbraw/zinc/91/94/69/532919469.db2.gz BBINTWSGIPFWLS-NWDGAFQWSA-N 1 0 381.420 2.042 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)[C@H]2C1 ZINC000292865254 532919522 /nfs/dbraw/zinc/91/95/22/532919522.db2.gz RXPWRPBWZQUWMJ-JKSUJKDBSA-N 1 0 376.881 2.104 20 0 GEADRO O=C(COc1ccccc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367021887 532922294 /nfs/dbraw/zinc/92/22/94/532922294.db2.gz RJCLKYKHDPPNKX-AWEZNQCLSA-N 1 0 383.286 2.197 20 0 GEADRO O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367036177 532922306 /nfs/dbraw/zinc/92/23/06/532922306.db2.gz FRXJJWQVSOZSFK-AWEZNQCLSA-N 1 0 377.901 2.111 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1c(Cl)cnn1C ZINC000366642445 532919616 /nfs/dbraw/zinc/91/96/16/532919616.db2.gz VKRACNPCJNGGMO-CJNGLKHVSA-N 1 0 382.917 2.262 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc4nc(Cl)cnc4c3)C2)C1 ZINC000292906082 532919811 /nfs/dbraw/zinc/91/98/11/532919811.db2.gz WKKISUVTQSTPLP-KRWDZBQOSA-N 1 0 380.901 2.390 20 0 GEADRO Cn1ncc(Cl)c1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000366651693 532919925 /nfs/dbraw/zinc/91/99/25/532919925.db2.gz WAFFZCGIXMWYPI-BXUZGUMPSA-N 1 0 388.946 2.496 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000292972368 532920572 /nfs/dbraw/zinc/92/05/72/532920572.db2.gz CEEJOSSDRBSPKZ-UHFFFAOYSA-N 1 0 395.301 2.285 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccccc3Br)[C@H]2C1 ZINC000293336919 532925493 /nfs/dbraw/zinc/92/54/93/532925493.db2.gz SAHSICHLRYQHAO-JKSUJKDBSA-N 1 0 382.302 2.183 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)c2cccc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367031945 532922402 /nfs/dbraw/zinc/92/24/02/532922402.db2.gz XUYKMWOVTKPKRT-ATZDWAIDSA-N 1 0 396.373 2.440 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NCCC[NH+](C)C)cc1Cl ZINC000293183829 532923142 /nfs/dbraw/zinc/92/31/42/532923142.db2.gz YMUBEQSKMASPQO-UHFFFAOYSA-N 1 0 385.313 2.249 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000367196277 532923566 /nfs/dbraw/zinc/92/35/66/532923566.db2.gz RJWFSFAUKUCICR-SECBINFHSA-N 1 0 381.267 2.017 20 0 GEADRO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367272012 532924147 /nfs/dbraw/zinc/92/41/47/532924147.db2.gz RHSBSFTYZIVOGY-OWCLPIDISA-N 1 0 382.302 2.409 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000293341756 532925578 /nfs/dbraw/zinc/92/55/78/532925578.db2.gz WTGJAHASESUJRU-QGZVFWFLSA-N 1 0 398.276 2.389 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000367460684 532925000 /nfs/dbraw/zinc/92/50/00/532925000.db2.gz HAOCQUFXZXPAAL-JKSUJKDBSA-N 1 0 379.302 2.128 20 0 GEADRO O=C(NCCC[NH+]1CCC(n2cc(Br)cn2)CC1)C(F)(F)F ZINC000367669343 532926244 /nfs/dbraw/zinc/92/62/44/532926244.db2.gz BFQNDCVDCSWZDO-UHFFFAOYSA-N 1 0 383.212 2.351 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368123177 532930147 /nfs/dbraw/zinc/93/01/47/532930147.db2.gz MKYAEDGKYSPAFE-LSDHHAIUSA-N 1 0 394.313 2.448 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000367831481 532927664 /nfs/dbraw/zinc/92/76/64/532927664.db2.gz IECCETIAKQVSMP-CYBMUJFWSA-N 1 0 380.491 2.108 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1nc2c(s1)CSCC2)[NH+](C)C ZINC000367884355 532928294 /nfs/dbraw/zinc/92/82/94/532928294.db2.gz HDEQTMGFBXHGEV-CYBMUJFWSA-N 1 0 384.571 2.354 20 0 GEADRO Cc1cc(CCC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000368008694 532929456 /nfs/dbraw/zinc/92/94/56/532929456.db2.gz KFRNKOBGERKCET-INIZCTEOSA-N 1 0 380.330 2.196 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000293636351 532929546 /nfs/dbraw/zinc/92/95/46/532929546.db2.gz JDGRQZRBVIEOMO-CQSZACIVSA-N 1 0 382.302 2.436 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000368110774 532930186 /nfs/dbraw/zinc/93/01/86/532930186.db2.gz VGBLAEHMVWOJCP-AWEZNQCLSA-N 1 0 386.901 2.137 20 0 GEADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367615408 532925917 /nfs/dbraw/zinc/92/59/17/532925917.db2.gz KNHKWLNGHBETFD-DZGCQCFKSA-N 1 0 380.539 2.159 20 0 GEADRO C[C@](CO)([NH2+]C[C@@H](O)COCC(F)(F)F)c1ccc(Br)cc1 ZINC000293376078 532926100 /nfs/dbraw/zinc/92/61/00/532926100.db2.gz PJPVNVLEESIBAA-CHWSQXEVSA-N 1 0 386.208 2.186 20 0 GEADRO COc1ccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c(I)c1 ZINC000368372741 532931930 /nfs/dbraw/zinc/93/19/30/532931930.db2.gz BKZZVHYRUHMQMX-ZDUSSCGKSA-N 1 0 386.233 2.172 20 0 GEADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368192589 532930706 /nfs/dbraw/zinc/93/07/06/532930706.db2.gz GVRCEUIGBPWJLA-ZNVLZIIHSA-N 1 0 385.327 2.157 20 0 GEADRO COc1cc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)sc1Br ZINC000293749400 532931038 /nfs/dbraw/zinc/93/10/38/532931038.db2.gz TYPQKUHKBVMJSF-NXEZZACHSA-N 1 0 377.304 2.046 20 0 GEADRO Brc1ccc(-c2c[nH]c(CN3CCN4CCOC[C@H]4C3)n2)cc1 ZINC000368285613 532931160 /nfs/dbraw/zinc/93/11/60/532931160.db2.gz WJXCMIBJHQLBQA-OAHLLOKOSA-N 1 0 377.286 2.356 20 0 GEADRO O=C(/C=C/c1ccc(I)o1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000293785897 532931343 /nfs/dbraw/zinc/93/13/43/532931343.db2.gz ZQUZHNXDHKLXFW-IOHUUBCKSA-N 1 0 386.233 2.355 20 0 GEADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4Br)o3)CC[C@H]12 ZINC000368340851 532931763 /nfs/dbraw/zinc/93/17/63/532931763.db2.gz MYWALGJDKHCBFC-CMPLNLGQSA-N 1 0 390.237 2.199 20 0 GEADRO OC[C@@H]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)O1 ZINC000294032501 532935026 /nfs/dbraw/zinc/93/50/26/532935026.db2.gz FNEDUDYNYFBAMP-IXDOHACOSA-N 1 0 378.270 2.458 20 0 GEADRO CN(C(=O)C(=O)Nc1ccsc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000368880200 532935163 /nfs/dbraw/zinc/93/51/63/532935163.db2.gz OUJQVEKUALYRHI-UHFFFAOYSA-N 1 0 385.917 2.442 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)COc1ccc(F)cc1Br ZINC000294087406 532935485 /nfs/dbraw/zinc/93/54/85/532935485.db2.gz NRPHOCHWQZIEIS-UHFFFAOYSA-N 1 0 385.237 2.364 20 0 GEADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)C2)n(C)n1 ZINC000368475735 532932735 /nfs/dbraw/zinc/93/27/35/532932735.db2.gz VXWCHYRLSVHONE-ZFWWWQNUSA-N 1 0 381.322 2.335 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)CCc1cccc(Cl)c1 ZINC000368511889 532933105 /nfs/dbraw/zinc/93/31/05/532933105.db2.gz NVEUVGJZCXQUFU-FGTMMUONSA-N 1 0 386.945 2.396 20 0 GEADRO Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3CN4CCC[C@H]4CO3)s2)cs1 ZINC000368565055 532933234 /nfs/dbraw/zinc/93/32/34/532933234.db2.gz ZPKRJKNMXMKORH-STQMWFEESA-N 1 0 399.563 2.322 20 0 GEADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000293931964 532933456 /nfs/dbraw/zinc/93/34/56/532933456.db2.gz UDZPSRXFFVYDML-NSHDSACASA-N 1 0 391.331 2.170 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cn4ccc(Br)cc4n3)[C@H]2C1 ZINC000293950596 532933691 /nfs/dbraw/zinc/93/36/91/532933691.db2.gz RTZLKBYIRAAXHP-LSDHHAIUSA-N 1 0 393.285 2.032 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4sc(N(C)C)nc4s3)[C@H]2C1 ZINC000293974801 532933923 /nfs/dbraw/zinc/93/39/23/532933923.db2.gz VBKVOZXGBUMMPT-NWDGAFQWSA-N 1 0 380.539 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ZINC000735736679 599079221 /nfs/dbraw/zinc/07/92/21/599079221.db2.gz YOZWTGFDRQJMEG-DAYGRLMNSA-N 1 0 386.500 2.211 20 0 GEADRO CC1CCC([NH+]2CCN(CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736243757 599081910 /nfs/dbraw/zinc/08/19/10/599081910.db2.gz YVPCHIDPUISRJB-UHFFFAOYSA-N 1 0 383.500 2.002 20 0 GEADRO Cc1ccc(OCCCC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737364937 599091441 /nfs/dbraw/zinc/09/14/41/599091441.db2.gz HYOYKZNFNKSSTN-SFHVURJKSA-N 1 0 380.452 2.150 20 0 GEADRO Cc1ccc2c(CC[NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)c[nH]c2c1 ZINC000737371653 599095949 /nfs/dbraw/zinc/09/59/49/599095949.db2.gz HHVKUSJARFZKFS-GOSISDBHSA-N 1 0 375.436 2.015 20 0 GEADRO Cc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000822510859 599108594 /nfs/dbraw/zinc/10/85/94/599108594.db2.gz XTZWBSSIRAXNRU-KRWDZBQOSA-N 1 0 378.484 2.232 20 0 GEADRO CCc1cc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc(C)n1 ZINC000736674648 599120686 /nfs/dbraw/zinc/12/06/86/599120686.db2.gz FGOAUPIWVXPTGG-UHFFFAOYSA-N 1 0 378.484 2.240 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000737410395 599122946 /nfs/dbraw/zinc/12/29/46/599122946.db2.gz SMLAMODONNCDQV-GASCZTMLSA-N 1 0 381.484 2.056 20 0 GEADRO Cc1ccccc1[C@H](O)C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737424335 599131322 /nfs/dbraw/zinc/13/13/22/599131322.db2.gz XFUGGDRAHOJTCY-HXUWFJFHSA-N 1 0 378.480 2.421 20 0 GEADRO CCCCC[N@H+](CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)C(C)C ZINC000736452898 599168845 /nfs/dbraw/zinc/16/88/45/599168845.db2.gz XYNKJYGSWHQICK-UHFFFAOYSA-N 1 0 399.499 2.489 20 0 GEADRO CCCCC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C(C)C ZINC000736452902 599168977 /nfs/dbraw/zinc/16/89/77/599168977.db2.gz YCGVOYQLWVFTGW-FQEVSTJZSA-N 1 0 399.499 2.492 20 0 GEADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736351473 599180743 /nfs/dbraw/zinc/18/07/43/599180743.db2.gz GLHSPSAFEUHOPP-HIFRSBDPSA-N 1 0 386.891 2.369 20 0 GEADRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)n1cccc1 ZINC000735975146 599198942 /nfs/dbraw/zinc/19/89/42/599198942.db2.gz NRFIIRLZDHDADL-MRXNPFEDSA-N 1 0 381.484 2.210 20 0 GEADRO O[C@H](C[NH+]1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738380245 599205669 /nfs/dbraw/zinc/20/56/69/599205669.db2.gz FNYVFTNURZQSSX-GOSISDBHSA-N 1 0 384.871 2.376 20 0 GEADRO COc1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045217 599208664 /nfs/dbraw/zinc/20/86/64/599208664.db2.gz GOJVOAFRCCRDQQ-SFHVURJKSA-N 1 0 395.463 2.411 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736291198 599225731 /nfs/dbraw/zinc/22/57/31/599225731.db2.gz FGURWYMZUXBJOX-WMLDXEAASA-N 1 0 386.525 2.185 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736791868 599251111 /nfs/dbraw/zinc/25/11/11/599251111.db2.gz ISVFERURMYZNNJ-QGZVFWFLSA-N 1 0 388.541 2.433 20 0 GEADRO Cc1c(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cccc1-c1nn[nH]n1 ZINC000822090584 607290935 /nfs/dbraw/zinc/29/09/35/607290935.db2.gz LAUUAYCCYOKVJC-UHFFFAOYSA-N 1 0 392.467 2.356 20 0 GEADRO COc1ccc(CNc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1-c1nn[nH]n1 ZINC000821821801 607309206 /nfs/dbraw/zinc/30/92/06/607309206.db2.gz XQKQNAJGRQEXSE-UHFFFAOYSA-N 1 0 393.495 2.235 20 0 GEADRO C[C@H](O)C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C1CCCCC1 ZINC000736146581 598245026 /nfs/dbraw/zinc/24/50/26/598245026.db2.gz IJWMIHNUAICBLC-LBPRGKRZSA-N 1 0 378.502 2.272 20 0 GEADRO COc1ccccc1CC[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737148949 598247445 /nfs/dbraw/zinc/24/74/45/598247445.db2.gz CMDLSNCQCFJNTD-UHFFFAOYSA-N 1 0 386.481 2.440 20 0 GEADRO COc1ccccc1CC[N@H+](C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737150316 598247765 /nfs/dbraw/zinc/24/77/65/598247765.db2.gz NTUFVTDHSYINGY-GOSISDBHSA-N 1 0 392.463 2.155 20 0 GEADRO Cc1ccc(C)n1C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737328221 598249814 /nfs/dbraw/zinc/24/98/14/598249814.db2.gz FEJJRUWJNLMRHN-LJQANCHMSA-N 1 0 396.495 2.362 20 0 GEADRO COc1ccc(OCCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737109173 598253054 /nfs/dbraw/zinc/25/30/54/598253054.db2.gz FQCQHFZZXKJVGT-UHFFFAOYSA-N 1 0 394.479 2.466 20 0 GEADRO COc1c(C)cc(C[N@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000737025299 598258136 /nfs/dbraw/zinc/25/81/36/598258136.db2.gz YIYUGDNGMASOGB-SFHVURJKSA-N 1 0 397.479 2.364 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000738385976 598312649 /nfs/dbraw/zinc/31/26/49/598312649.db2.gz KCHXRZRGKFDNEK-AZUAARDMSA-N 1 0 395.463 2.070 20 0 GEADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000737638922 598315017 /nfs/dbraw/zinc/31/50/17/598315017.db2.gz KOXLAMVBZSBKPV-UHFFFAOYSA-N 1 0 393.382 2.414 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738408698 598321409 /nfs/dbraw/zinc/32/14/09/598321409.db2.gz ODDPJJBZCDTYQJ-NWDGAFQWSA-N 1 0 377.905 2.433 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735618383 598327892 /nfs/dbraw/zinc/32/78/92/598327892.db2.gz LWQNNAPGWFZDIM-UHFFFAOYSA-N 1 0 375.452 2.022 20 0 GEADRO Cc1ccc(N(C)C2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)nn1 ZINC000737347405 598341213 /nfs/dbraw/zinc/34/12/13/598341213.db2.gz PRDOGHCEPHJTMY-UHFFFAOYSA-N 1 0 382.447 2.205 20 0 GEADRO Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3ccc(F)cc3-c3nn[nH]n3)C2)nn1 ZINC000737352092 598341604 /nfs/dbraw/zinc/34/16/04/598341604.db2.gz OKBJQLOMHWVJIP-INIZCTEOSA-N 1 0 382.447 2.205 20 0 GEADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)n1 ZINC000737271127 598347384 /nfs/dbraw/zinc/34/73/84/598347384.db2.gz JCSFQKXEBATPGP-MRXNPFEDSA-N 1 0 382.447 2.171 20 0 GEADRO C[C@@H](CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC000736026316 598357204 /nfs/dbraw/zinc/35/72/04/598357204.db2.gz RIMJZZRVJGAEDQ-AWEZNQCLSA-N 1 0 396.451 2.253 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145932 598363767 /nfs/dbraw/zinc/36/37/67/598363767.db2.gz DSZPYLHLRMOBJE-IAGOWNOFSA-N 1 0 392.507 2.421 20 0 GEADRO Cc1cccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737391360 598365137 /nfs/dbraw/zinc/36/51/37/598365137.db2.gz AEHSISGRABZUGN-UHFFFAOYSA-N 1 0 378.480 2.308 20 0 GEADRO Cc1csc(N2CC[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)n1 ZINC000737452869 598365189 /nfs/dbraw/zinc/36/51/89/598365189.db2.gz PAVFIXLPEDXBDY-AWEZNQCLSA-N 1 0 385.497 2.221 20 0 GEADRO CC(C)n1ccnc1CN1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735964617 598365922 /nfs/dbraw/zinc/36/59/22/598365922.db2.gz BARMLYGAEDWYEY-UHFFFAOYSA-N 1 0 398.490 2.491 20 0 GEADRO Cc1cc(C)c(-c2nn[nH]n2)c(SC[C@@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000737242012 598369603 /nfs/dbraw/zinc/36/96/03/598369603.db2.gz ULBYIPIOOMUMAP-INIZCTEOSA-N 1 0 384.509 2.464 20 0 GEADRO C[C@@H](O)C[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCCCC1 ZINC000736144123 598376732 /nfs/dbraw/zinc/37/67/32/598376732.db2.gz NQRYDRDSEFCQTF-GFCCVEGCSA-N 1 0 392.891 2.474 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000736861063 598427658 /nfs/dbraw/zinc/42/76/58/598427658.db2.gz XYDNXUCYQQKNJU-HNNXBMFYSA-N 1 0 375.908 2.126 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000736861064 598427662 /nfs/dbraw/zinc/42/76/62/598427662.db2.gz XYDNXUCYQQKNJU-OAHLLOKOSA-N 1 0 375.908 2.126 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC000736321882 598428760 /nfs/dbraw/zinc/42/87/60/598428760.db2.gz GHNITSBYOZNSRJ-AWEZNQCLSA-N 1 0 391.545 2.129 20 0 GEADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738117632 598439814 /nfs/dbraw/zinc/43/98/14/598439814.db2.gz UXUBCWYRBAXGRR-UHFFFAOYSA-N 1 0 377.452 2.178 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)c1cccc(OC)c1 ZINC000736534507 598440643 /nfs/dbraw/zinc/44/06/43/598440643.db2.gz PURGPLYXTJPERU-GOSISDBHSA-N 1 0 395.467 2.083 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000735734855 598466635 /nfs/dbraw/zinc/46/66/35/598466635.db2.gz PHFPULPPOBOAID-QFBILLFUSA-N 1 0 398.511 2.357 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736250759 598471347 /nfs/dbraw/zinc/47/13/47/598471347.db2.gz MDPDIACUAMBCOL-VXGBXAGGSA-N 1 0 398.920 2.061 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738050619 598478610 /nfs/dbraw/zinc/47/86/10/598478610.db2.gz SRARGVRITFFESG-HNNXBMFYSA-N 1 0 381.484 2.025 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738035839 598478980 /nfs/dbraw/zinc/47/89/80/598478980.db2.gz NAGRJYNZXVNJEG-MSOLQXFVSA-N 1 0 381.484 2.168 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000736184304 598501216 /nfs/dbraw/zinc/50/12/16/598501216.db2.gz YCUCRWGJPIUFGJ-JKSUJKDBSA-N 1 0 384.484 2.111 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000735622864 598510063 /nfs/dbraw/zinc/51/00/63/598510063.db2.gz HLPHONBQGXJJJX-UHFFFAOYSA-N 1 0 384.440 2.157 20 0 GEADRO COc1ccc2cc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)ccc2c1 ZINC000737118479 598520065 /nfs/dbraw/zinc/52/00/65/598520065.db2.gz FIZJDUJDGAMBSB-CQSZACIVSA-N 1 0 390.451 2.057 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1OC(F)F ZINC000736135704 598520261 /nfs/dbraw/zinc/52/02/61/598520261.db2.gz PQOUUHXPCYOHIA-WDEREUQCSA-N 1 0 390.398 2.057 20 0 GEADRO c1coc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)c1 ZINC000738427473 598520478 /nfs/dbraw/zinc/52/04/78/598520478.db2.gz WNZJEQMBPRCBDB-CXAGYDPISA-N 1 0 376.424 2.077 20 0 GEADRO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CCS2 ZINC000737668536 598520665 /nfs/dbraw/zinc/52/06/65/598520665.db2.gz VXATXRPDOLKJNW-HZMBPMFUSA-N 1 0 386.460 2.071 20 0 GEADRO CCCCOc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736463395 598523123 /nfs/dbraw/zinc/52/31/23/598523123.db2.gz MMMNBPLFJJBFDB-OAHLLOKOSA-N 1 0 382.472 2.074 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)c(Cl)c1 ZINC000736132827 598525851 /nfs/dbraw/zinc/52/58/51/598525851.db2.gz DKYCCNLIOFGXMV-VHSXEESVSA-N 1 0 376.827 2.248 20 0 GEADRO COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737146650 598526274 /nfs/dbraw/zinc/52/62/74/598526274.db2.gz IOYPOLWGMOIGBB-APWZRJJASA-N 1 0 395.463 2.452 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCc1csc3ccccc13)C2 ZINC000738433289 598526613 /nfs/dbraw/zinc/52/66/13/598526613.db2.gz PIMYVTHYIAXALE-GFCCVEGCSA-N 1 0 380.481 2.152 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)C2 ZINC000738428643 598526950 /nfs/dbraw/zinc/52/69/50/598526950.db2.gz QASORSGTNRQDEL-HFTRVMKXSA-N 1 0 378.484 2.421 20 0 GEADRO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736653937 598528927 /nfs/dbraw/zinc/52/89/27/598528927.db2.gz NSRIEPDAZKQDSU-XJKSGUPXSA-N 1 0 382.472 2.245 20 0 GEADRO CC(C)(Cc1ccccc1Cl)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735671149 598530248 /nfs/dbraw/zinc/53/02/48/598530248.db2.gz PHBYBNOQQSRQTF-GFCCVEGCSA-N 1 0 386.891 2.369 20 0 GEADRO CC(C)(C)c1ccccc1OCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735652947 598539854 /nfs/dbraw/zinc/53/98/54/598539854.db2.gz YWSBOTUMJMVWSC-CQSZACIVSA-N 1 0 396.499 2.071 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000736182976 598541503 /nfs/dbraw/zinc/54/15/03/598541503.db2.gz IJPISTUHWYWDEG-CQSZACIVSA-N 1 0 380.452 2.377 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000736182975 598541788 /nfs/dbraw/zinc/54/17/88/598541788.db2.gz IJPISTUHWYWDEG-AWEZNQCLSA-N 1 0 380.452 2.377 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736752720 598548058 /nfs/dbraw/zinc/54/80/58/598548058.db2.gz AGSDPHLYVCSHRN-UHFFFAOYSA-N 1 0 384.440 2.109 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)[N@H+](C)C1CC1 ZINC000736026046 598549639 /nfs/dbraw/zinc/54/96/39/598549639.db2.gz MMWBXJOJMBKRKU-ZDUSSCGKSA-N 1 0 396.451 2.251 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)C1CC1 ZINC000736761906 598555711 /nfs/dbraw/zinc/55/57/11/598555711.db2.gz WKOCHOMQDCLXRA-QGZVFWFLSA-N 1 0 396.451 2.109 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)C1CC1 ZINC000736761905 598555715 /nfs/dbraw/zinc/55/57/15/598555715.db2.gz WKOCHOMQDCLXRA-KRWDZBQOSA-N 1 0 396.451 2.109 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000736756449 598556076 /nfs/dbraw/zinc/55/60/76/598556076.db2.gz IPJCMBNRMOENJW-UHFFFAOYSA-N 1 0 396.451 2.205 20 0 GEADRO CN(C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)C1CC[NH+](C)CC1 ZINC000736851172 598557461 /nfs/dbraw/zinc/55/74/61/598557461.db2.gz FZCQGXZLMCZTTH-UHFFFAOYSA-N 1 0 396.451 2.205 20 0 GEADRO OC1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCOCC1 ZINC000738385975 598562404 /nfs/dbraw/zinc/56/24/04/598562404.db2.gz KCGGIOPUQSNUIJ-UHFFFAOYSA-N 1 0 395.463 2.077 20 0 GEADRO O=C(COc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737925873 598570045 /nfs/dbraw/zinc/57/00/45/598570045.db2.gz ZSLVMIRYSZZMRF-SFHVURJKSA-N 1 0 398.511 2.406 20 0 GEADRO CC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000736542951 598614313 /nfs/dbraw/zinc/61/43/13/598614313.db2.gz XETLCYWEFBUOFV-UHFFFAOYSA-N 1 0 394.479 2.469 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[nH]n4)cc3)s2)C1 ZINC000736756829 598617036 /nfs/dbraw/zinc/61/70/36/598617036.db2.gz MWIFHMKIHBDSGH-CQSZACIVSA-N 1 0 398.496 2.082 20 0 GEADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736829593 598621706 /nfs/dbraw/zinc/62/17/06/598621706.db2.gz HNBYOSNNHBWQHS-GOSISDBHSA-N 1 0 387.447 2.357 20 0 GEADRO Cc1cc(Oc2ncccc2-c2nn[nH]n2)ccc1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000737279271 598627563 /nfs/dbraw/zinc/62/75/63/598627563.db2.gz IMALDTHOBUPYHG-ZDUSSCGKSA-N 1 0 379.424 2.253 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736764343 598650436 /nfs/dbraw/zinc/65/04/36/598650436.db2.gz PIMNGDGAMCVYOI-QGZVFWFLSA-N 1 0 382.493 2.378 20 0 GEADRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)C2)c1 ZINC000737437691 598672380 /nfs/dbraw/zinc/67/23/80/598672380.db2.gz PQVVACJRCMLCCC-AWEZNQCLSA-N 1 0 376.468 2.392 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000737833236 598684100 /nfs/dbraw/zinc/68/41/00/598684100.db2.gz QUZMPXZDRRENOR-UHFFFAOYSA-N 1 0 384.484 2.159 20 0 GEADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735856473 598692776 /nfs/dbraw/zinc/69/27/76/598692776.db2.gz HPIGLAZUPYOOCA-UHFFFAOYSA-N 1 0 394.479 2.402 20 0 GEADRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736020672 598704378 /nfs/dbraw/zinc/70/43/78/598704378.db2.gz TXGVPKVHPYSOIF-CYBMUJFWSA-N 1 0 385.472 2.464 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737194091 598707888 /nfs/dbraw/zinc/70/78/88/598707888.db2.gz AMVMQMAUDUNGRU-MRXNPFEDSA-N 1 0 391.479 2.012 20 0 GEADRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)CC1 ZINC000736275249 598716324 /nfs/dbraw/zinc/71/63/24/598716324.db2.gz BAIAXZAWIJCGIP-UHFFFAOYSA-N 1 0 386.475 2.476 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736568341 598732596 /nfs/dbraw/zinc/73/25/96/598732596.db2.gz AKTJOBUEGNDFPB-GOSISDBHSA-N 1 0 383.500 2.415 20 0 GEADRO CCS[C@H]1CCCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736666324 598749226 /nfs/dbraw/zinc/74/92/26/598749226.db2.gz RISSQLDDBGIHJH-WBVHZDCISA-N 1 0 377.514 2.214 20 0 GEADRO O=C(CC[NH+]1CCSCC1)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000737846232 598759295 /nfs/dbraw/zinc/75/92/95/598759295.db2.gz ICDHXYBOKFPUHI-UHFFFAOYSA-N 1 0 378.527 2.184 20 0 GEADRO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736315311 598764963 /nfs/dbraw/zinc/76/49/63/598764963.db2.gz ROYDFUUCWRVKFR-CQSZACIVSA-N 1 0 386.500 2.403 20 0 GEADRO c1ccn2c(c1)nnc2C1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738420009 598810809 /nfs/dbraw/zinc/81/08/09/598810809.db2.gz VRIFDZVTEIMANR-UHFFFAOYSA-N 1 0 390.451 2.168 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000736247539 598811086 /nfs/dbraw/zinc/81/10/86/598811086.db2.gz FOLMVBYLPGAHNR-ZIAGYGMSSA-N 1 0 380.456 2.254 20 0 GEADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736766604 598818795 /nfs/dbraw/zinc/81/87/95/598818795.db2.gz DRERJELZUKVBME-UHFFFAOYSA-N 1 0 385.516 2.249 20 0 GEADRO C[C@H]1CN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C[C@H]1[NH+](C)C ZINC000736290790 599297753 /nfs/dbraw/zinc/29/77/53/599297753.db2.gz JRBIPAANPLIOBF-SUMWQHHRSA-N 1 0 396.451 2.061 20 0 GEADRO CC[C@H]1CN(CCn2cccn2)CC[N@@H+]1[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736407706 599317202 /nfs/dbraw/zinc/31/72/02/599317202.db2.gz QBTPRPJDPMXWAN-APWZRJJASA-N 1 0 380.500 2.221 20 0 GEADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000736195403 599321552 /nfs/dbraw/zinc/32/15/52/599321552.db2.gz HDJNUBAHOQDCPG-HNNXBMFYSA-N 1 0 376.464 2.447 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C12CCCC2 ZINC000821359269 599386803 /nfs/dbraw/zinc/38/68/03/599386803.db2.gz NANGIABIFGSLGN-RCCFBDPRSA-N 1 0 396.495 2.299 20 0 GEADRO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2OC)cc1-c1nn[nH]n1 ZINC000821723672 599393201 /nfs/dbraw/zinc/39/32/01/599393201.db2.gz HLTDFWGGHWUBEO-UHFFFAOYSA-N 1 0 385.424 2.191 20 0 GEADRO C[N@H+](CCCNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)C1CCCCC1 ZINC000821599353 599404761 /nfs/dbraw/zinc/40/47/61/599404761.db2.gz PWJMQEJTBOXCJK-UHFFFAOYSA-N 1 0 389.479 2.460 20 0 GEADRO COc1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1-c1nn[nH]n1 ZINC000821808323 599409512 /nfs/dbraw/zinc/40/95/12/599409512.db2.gz DKCULMNWRRHHMU-UHFFFAOYSA-N 1 0 379.468 2.025 20 0 GEADRO COc1ccc(C[NH2+]Cc2cccc(Cn3cccn3)c2)cc1-c1nn[nH]n1 ZINC000821818315 599412494 /nfs/dbraw/zinc/41/24/94/599412494.db2.gz PDDIREYABUDACV-UHFFFAOYSA-N 1 0 375.436 2.410 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)C1CCCCC1 ZINC000821579858 599443071 /nfs/dbraw/zinc/44/30/71/599443071.db2.gz QOEAHCZLKFTBFE-QGZVFWFLSA-N 1 0 389.479 2.316 20 0 GEADRO CC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(C)(C)c1ccccc1 ZINC000820926380 599445255 /nfs/dbraw/zinc/44/52/55/599445255.db2.gz SLEGEFLCIHURPR-PBHICJAKSA-N 1 0 380.500 2.451 20 0 GEADRO CCC(CC)(C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000820887349 599462660 /nfs/dbraw/zinc/46/26/60/599462660.db2.gz AGQWHGZDCAKUCG-OAHLLOKOSA-N 1 0 380.500 2.453 20 0 GEADRO CCOC(=O)COc1ccc(CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821330532 599463050 /nfs/dbraw/zinc/46/30/50/599463050.db2.gz MSWWDLAXXWDHPU-UHFFFAOYSA-N 1 0 381.436 2.141 20 0 GEADRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000737202020 599507415 /nfs/dbraw/zinc/50/74/15/599507415.db2.gz INNBCDYJKBOFNU-UHFFFAOYSA-N 1 0 383.431 2.448 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000822332370 599534840 /nfs/dbraw/zinc/53/48/40/599534840.db2.gz OWXVLIPHKFFQOQ-OAHLLOKOSA-N 1 0 395.511 2.252 20 0 GEADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000736799735 599535591 /nfs/dbraw/zinc/53/55/91/599535591.db2.gz XFTKSENXDAXFLI-UHFFFAOYSA-N 1 0 398.902 2.174 20 0 GEADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000736988513 599577743 /nfs/dbraw/zinc/57/77/43/599577743.db2.gz STECJLNIFHPKTA-CYBMUJFWSA-N 1 0 389.504 2.134 20 0 GEADRO c1cnn(CC2CC[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC2)c1 ZINC000738450226 599579876 /nfs/dbraw/zinc/57/98/76/599579876.db2.gz YCSCXLKKKUJJIP-UHFFFAOYSA-N 1 0 389.467 2.296 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)o2)c1 ZINC000823738660 599581816 /nfs/dbraw/zinc/58/18/16/599581816.db2.gz YAWKUKDNJXUXOH-HNNXBMFYSA-N 1 0 394.483 2.225 20 0 GEADRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(-c2nn[nH]n2)c1 ZINC000737649634 599586421 /nfs/dbraw/zinc/58/64/21/599586421.db2.gz NPGOPOTVWHZWBV-CQSZACIVSA-N 1 0 378.415 2.428 20 0 GEADRO Fc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000737653318 599586578 /nfs/dbraw/zinc/58/65/78/599586578.db2.gz ZPDQTSDMRHSCOE-AWEZNQCLSA-N 1 0 378.415 2.428 20 0 GEADRO c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000738425040 599587545 /nfs/dbraw/zinc/58/75/45/599587545.db2.gz JVYQPODBSIEEPT-OAHLLOKOSA-N 1 0 390.451 2.168 20 0 GEADRO COc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737148241 599592629 /nfs/dbraw/zinc/59/26/29/599592629.db2.gz PNOZYQTYJYNZTL-IAGOWNOFSA-N 1 0 395.463 2.105 20 0 GEADRO O=C(CCN1CCC[N@@H+](C2CCCC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844274 599592694 /nfs/dbraw/zinc/59/26/94/599592694.db2.gz RDKRWSDIWYALLX-UHFFFAOYSA-N 1 0 383.500 2.146 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738099434 599613671 /nfs/dbraw/zinc/61/36/71/599613671.db2.gz FBXQCPONLNUNQN-INIZCTEOSA-N 1 0 387.463 2.166 20 0 GEADRO CC[N@H+](CCc1ccccn1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821215812 599636525 /nfs/dbraw/zinc/63/65/25/599636525.db2.gz VMQTVUYMGYLGFR-UHFFFAOYSA-N 1 0 376.424 2.376 20 0 GEADRO COCC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)CCc1ccccc1 ZINC000821689007 599636763 /nfs/dbraw/zinc/63/67/63/599636763.db2.gz HQYYFQAEPZZVMG-UHFFFAOYSA-N 1 0 394.479 2.386 20 0 GEADRO C[C@@H](O)CC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2 ZINC000820474823 599639856 /nfs/dbraw/zinc/63/98/56/599639856.db2.gz VXYDWTKLWPPJTL-VXGBXAGGSA-N 1 0 392.529 2.084 20 0 GEADRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000822997604 599640736 /nfs/dbraw/zinc/64/07/36/599640736.db2.gz SVXHYDWUWJCOGO-YOEHRIQHSA-N 1 0 392.467 2.255 20 0 GEADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000819865478 599641438 /nfs/dbraw/zinc/64/14/38/599641438.db2.gz GHNHWFOFCAVJGN-HZPDHXFCSA-N 1 0 383.500 2.002 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000821599013 599641795 /nfs/dbraw/zinc/64/17/95/599641795.db2.gz BSIWWRUPCJCJCH-CQSZACIVSA-N 1 0 391.907 2.265 20 0 GEADRO O=C(C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822991886 599642072 /nfs/dbraw/zinc/64/20/72/599642072.db2.gz HZPKOEVAKDDKBN-QGZVFWFLSA-N 1 0 392.463 2.344 20 0 GEADRO C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H](CCO)c1ccccc1 ZINC000821598066 599642904 /nfs/dbraw/zinc/64/29/04/599642904.db2.gz PWFWOOZTTPOVIF-GOSISDBHSA-N 1 0 380.452 2.251 20 0 GEADRO O=C(C[N@@H+]1CCC2(CCCC2)C1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000822996333 599644916 /nfs/dbraw/zinc/64/49/16/599644916.db2.gz CMZFQNSTAPFDJW-UHFFFAOYSA-N 1 0 392.467 2.257 20 0 GEADRO NC(=O)[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850206 599664868 /nfs/dbraw/zinc/66/48/68/599664868.db2.gz BBCWIWNRIPSORH-UZANAETPSA-N 1 0 382.390 2.351 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000822217532 599693197 /nfs/dbraw/zinc/69/31/97/599693197.db2.gz 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CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000820033341 606814937 /nfs/dbraw/zinc/81/49/37/606814937.db2.gz UJORELJMIACVRH-KYJSFNMBSA-N 1 0 386.500 2.115 20 0 GEADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820752402 606815619 /nfs/dbraw/zinc/81/56/19/606815619.db2.gz MSPXOGZAGNXKFK-MAUKXSAKSA-N 1 0 386.500 2.261 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000822535335 606818908 /nfs/dbraw/zinc/81/89/08/606818908.db2.gz NRANVDXAYKRPHQ-JSGCOSHPSA-N 1 0 383.456 2.017 20 0 GEADRO CCOc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)O[C@@H](C)C2 ZINC000821401334 606846177 /nfs/dbraw/zinc/84/61/77/606846177.db2.gz WCQVYEPQWMVLKX-SCLBCKFNSA-N 1 0 395.463 2.412 20 0 GEADRO Cc1ccccc1CN1CCC([NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822356652 606854753 /nfs/dbraw/zinc/85/47/53/606854753.db2.gz XNFYGYKLMJQYGX-NRFANRHFSA-N 1 0 392.507 2.463 20 0 GEADRO CC(C)c1nc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000820201814 606857211 /nfs/dbraw/zinc/85/72/11/606857211.db2.gz AJQJWNHKUFXBON-CVEARBPZSA-N 1 0 383.456 2.286 20 0 GEADRO Cc1ccnc(NC[C@H]2CC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000822373833 606859771 /nfs/dbraw/zinc/85/97/71/606859771.db2.gz DJVYONYHYGMUDW-CRAIPNDOSA-N 1 0 379.468 2.038 20 0 GEADRO CCC[C@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821040865 606861151 /nfs/dbraw/zinc/86/11/51/606861151.db2.gz TZKVMMSMECJZBW-HNNXBMFYSA-N 1 0 397.483 2.101 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cc1-c1nn[nH]n1 ZINC000821810096 606868096 /nfs/dbraw/zinc/86/80/96/606868096.db2.gz WMNRCHGEANNNRV-CYBMUJFWSA-N 1 0 385.859 2.292 20 0 GEADRO C[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CN1Cc1ccccc1 ZINC000820665373 606869130 /nfs/dbraw/zinc/86/91/30/606869130.db2.gz FRAKATGDZIPUFW-MAUKXSAKSA-N 1 0 388.479 2.267 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(-c3nn[nH]n3)cn2C)CC1 ZINC000820702975 606869580 /nfs/dbraw/zinc/86/95/80/606869580.db2.gz BYKZWRBPACWEQX-HNNXBMFYSA-N 1 0 385.516 2.322 20 0 GEADRO c1ccc2c(c1)nc(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)cc2-c1nn[nH]n1 ZINC000823792582 606877830 /nfs/dbraw/zinc/87/78/30/606877830.db2.gz YIWFTHYMWULNDS-ROUUACIJSA-N 1 0 379.468 2.470 20 0 GEADRO Cc1sc(NC(=O)C[N@H+](C)CCC2CCOCC2)c(-c2nn[nH]n2)c1C ZINC000822558032 606880905 /nfs/dbraw/zinc/88/09/05/606880905.db2.gz LPXUTMVOOKVGLQ-UHFFFAOYSA-N 1 0 378.502 2.232 20 0 GEADRO O[C@@H](CN1CCC[N@H+](CC2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682415 606888669 /nfs/dbraw/zinc/88/86/69/606888669.db2.gz PWCALYQMUOINMD-FQEVSTJZSA-N 1 0 384.528 2.488 20 0 GEADRO c1cc(OCCC[NH+]2CCC(c3nnc4n3CCC4)CC2)cc(-c2nn[nH]n2)c1 ZINC000823762455 606892360 /nfs/dbraw/zinc/89/23/60/606892360.db2.gz PNVVNPZKOVNRLD-UHFFFAOYSA-N 1 0 394.483 2.053 20 0 GEADRO CC[C@@H]1C[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)[C@H](CC)CN1C(C)=O ZINC000820993939 606907016 /nfs/dbraw/zinc/90/70/16/606907016.db2.gz CGJISJLVSNMYDQ-QZTJIDSGSA-N 1 0 386.500 2.357 20 0 GEADRO CCCCNC(=O)C1([NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000821065168 606929384 /nfs/dbraw/zinc/92/93/84/606929384.db2.gz FZFHLMHFWPYNJP-QGZVFWFLSA-N 1 0 386.500 2.109 20 0 GEADRO CC[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000820994900 606932457 /nfs/dbraw/zinc/93/24/57/606932457.db2.gz LLWAUCBJJOVBSY-DGCLKSJQSA-N 1 0 384.406 2.167 20 0 GEADRO CCc1nnc(NCC[N@H+](C)Cc2ccc(F)cc2)c(-c2nn[nH]n2)c1CC ZINC000821535076 606941869 /nfs/dbraw/zinc/94/18/69/606941869.db2.gz GIFOAFFEFCWMJG-UHFFFAOYSA-N 1 0 384.463 2.465 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000820902838 606954034 /nfs/dbraw/zinc/95/40/34/606954034.db2.gz OQDSHTQJZHIGSY-GFCCVEGCSA-N 1 0 395.414 2.464 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000821586024 606967771 /nfs/dbraw/zinc/96/77/71/606967771.db2.gz GGAIPUBDUNPAEB-OAHLLOKOSA-N 1 0 393.442 2.128 20 0 GEADRO C[C@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820759314 606969293 /nfs/dbraw/zinc/96/92/93/606969293.db2.gz JEBUNHSCTBKMFL-YWZLYKJASA-N 1 0 396.470 2.246 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000821581508 606982113 /nfs/dbraw/zinc/98/21/13/606982113.db2.gz NHAWZLXAXWOLJQ-UHFFFAOYSA-N 1 0 386.500 2.405 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821109917 607017291 /nfs/dbraw/zinc/01/72/91/607017291.db2.gz SFIMHBPQARTAKP-UHFFFAOYSA-N 1 0 386.500 2.262 20 0 GEADRO COC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821682789 607046840 /nfs/dbraw/zinc/04/68/40/607046840.db2.gz NRQBUIYGUHCVOL-IBGZPJMESA-N 1 0 393.495 2.078 20 0 GEADRO c1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)C2 ZINC000823797807 607047219 /nfs/dbraw/zinc/04/72/19/607047219.db2.gz SHKUFIQHYSMCLM-LJQANCHMSA-N 1 0 375.480 2.378 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCCCOc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625317 607071420 /nfs/dbraw/zinc/07/14/20/607071420.db2.gz KVUDENUTQXNCJF-PKOBYXMFSA-N 1 0 398.511 2.359 20 0 GEADRO O[C@]12CCCC[C@H]1C[N@H+](Cc1nnc(-c3cccc(-c4nn[nH]n4)c3)o1)CC2 ZINC000823698733 607075609 /nfs/dbraw/zinc/07/56/09/607075609.db2.gz QUQZIDBYPMTHAD-KXBFYZLASA-N 1 0 381.440 2.044 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821637453 607087235 /nfs/dbraw/zinc/08/72/35/607087235.db2.gz GQQJGPFXVKNQCZ-QWHCGFSZSA-N 1 0 386.481 2.187 20 0 GEADRO CC(C)([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)C(=O)Nc1ccccc1 ZINC000819988439 607102643 /nfs/dbraw/zinc/10/26/43/607102643.db2.gz ZMUZAYCTBWGJNF-UHFFFAOYSA-N 1 0 399.480 2.264 20 0 GEADRO O=C(CC[N@@H+]1CCOC2(CCCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822969374 607105928 /nfs/dbraw/zinc/10/59/28/607105928.db2.gz MVZZIHCFZLCVMA-UHFFFAOYSA-N 1 0 390.875 2.494 20 0 GEADRO COCC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C)o1 ZINC000821689209 607125635 /nfs/dbraw/zinc/12/56/35/607125635.db2.gz PRWWTVKQCOWTDX-UHFFFAOYSA-N 1 0 384.440 2.245 20 0 GEADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000820583400 607140886 /nfs/dbraw/zinc/14/08/86/607140886.db2.gz CZFILXBNKBFNQG-UHFFFAOYSA-N 1 0 386.500 2.450 20 0 GEADRO O=C(CC[N@@H+](CCCO)Cc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964331 607146844 /nfs/dbraw/zinc/14/68/44/607146844.db2.gz GTRQDFSQORUYQS-UHFFFAOYSA-N 1 0 380.452 2.080 20 0 GEADRO CCOc1ccnc(N2CCC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000821438323 607149941 /nfs/dbraw/zinc/14/99/41/607149941.db2.gz ZCHJNGAMXPSHDX-OAHLLOKOSA-N 1 0 394.483 2.329 20 0 GEADRO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC000823713046 607175203 /nfs/dbraw/zinc/17/52/03/607175203.db2.gz CMDZAUCTXZVWIB-RHSMWYFYSA-N 1 0 399.886 2.210 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820804588 607238005 /nfs/dbraw/zinc/23/80/05/607238005.db2.gz VMRXCUIGSRKYJK-GOEBONIOSA-N 1 0 384.484 2.109 20 0 GEADRO C[NH+](C)CCOc1ccc(CNC(=O)c2cc[nH]c(=O)c2Br)cc1 ZINC000446093689 649971329 /nfs/dbraw/zinc/97/13/29/649971329.db2.gz ZJXUBIYAYRCDBY-UHFFFAOYSA-N 1 0 394.269 2.420 20 0 GEADRO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[N@@H+]2C)cc1 ZINC000826190133 607778489 /nfs/dbraw/zinc/77/84/89/607778489.db2.gz QLYDFTXXQIGOBK-CXAGYDPISA-N 1 0 382.424 2.053 20 0 GEADRO C[C@H](CCc1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824406592 607813690 /nfs/dbraw/zinc/81/36/90/607813690.db2.gz NMNCOBBKESEFPD-OAHLLOKOSA-N 1 0 385.493 2.251 20 0 GEADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(c2ccccn2)CC1 ZINC000824047103 607830449 /nfs/dbraw/zinc/83/04/49/607830449.db2.gz XIHFMFIMHWPUDJ-CQSZACIVSA-N 1 0 377.452 2.468 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)CC1 ZINC000824706897 607841001 /nfs/dbraw/zinc/84/10/01/607841001.db2.gz LKJWHBRQMUEVMF-LBPRGKRZSA-N 1 0 398.433 2.415 20 0 GEADRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824540392 607842574 /nfs/dbraw/zinc/84/25/74/607842574.db2.gz XHPZMSFHAWERON-JFOHDYCDSA-N 1 0 382.468 2.131 20 0 GEADRO CC[C@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212951 607942334 /nfs/dbraw/zinc/94/23/34/607942334.db2.gz VDBFOSAXARNDKB-LSDHHAIUSA-N 1 0 387.488 2.387 20 0 GEADRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826406903 607942982 /nfs/dbraw/zinc/94/29/82/607942982.db2.gz SDHYGAPLCBBXFZ-MSOLQXFVSA-N 1 0 396.426 2.142 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000825000024 607963916 /nfs/dbraw/zinc/96/39/16/607963916.db2.gz MTPWVLZIFQYAEZ-KOLCDFICSA-N 1 0 381.267 2.482 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000826263812 608016292 /nfs/dbraw/zinc/01/62/92/608016292.db2.gz RPNZNZKIKHUDEA-INIZCTEOSA-N 1 0 393.495 2.119 20 0 GEADRO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824764688 608035116 /nfs/dbraw/zinc/03/51/16/608035116.db2.gz XKGVDEBIWNRTAM-SNVBAGLBSA-N 1 0 392.414 2.399 20 0 GEADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCOc1ccc2ccccc2c1 ZINC000825935024 608036751 /nfs/dbraw/zinc/03/67/51/608036751.db2.gz SDRDBGBWHTVJRK-UHFFFAOYSA-N 1 0 392.467 2.269 20 0 GEADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000826244457 608074203 /nfs/dbraw/zinc/07/42/03/608074203.db2.gz TWEQFVKWFLNSIB-UHFFFAOYSA-N 1 0 380.452 2.085 20 0 GEADRO CC(C)[C@H](C(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)[NH+]1CCCCC1 ZINC000824185346 608089189 /nfs/dbraw/zinc/08/91/89/608089189.db2.gz WQDXMNIXPAGMAB-RTBURBONSA-N 1 0 398.511 2.277 20 0 GEADRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824393837 608112931 /nfs/dbraw/zinc/11/29/31/608112931.db2.gz UOFDXVQPBKUPDN-SJCJKPOMSA-N 1 0 381.415 2.255 20 0 GEADRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)no1 ZINC000824341965 608119629 /nfs/dbraw/zinc/11/96/29/608119629.db2.gz GFGLHPSYBRLFTA-UHFFFAOYSA-N 1 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c1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826514390 608258659 /nfs/dbraw/zinc/25/86/59/608258659.db2.gz QCYKNBMYJYMJNM-HNNXBMFYSA-N 1 0 380.456 2.121 20 0 GEADRO C[C@H](CCO)[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000824405907 608267376 /nfs/dbraw/zinc/26/73/76/608267376.db2.gz BDUKXQGKVLQGQK-MRXNPFEDSA-N 1 0 394.479 2.468 20 0 GEADRO CCOCC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC000825594991 608268529 /nfs/dbraw/zinc/26/85/29/608268529.db2.gz SXKUBOCUMDOVRB-LBPRGKRZSA-N 1 0 392.529 2.350 20 0 GEADRO CCC[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)CC[N@@H+]1CCOC ZINC000825251898 608272086 /nfs/dbraw/zinc/27/20/86/608272086.db2.gz FVXFXGLNSLBTQI-MRXNPFEDSA-N 1 0 387.488 2.140 20 0 GEADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826220443 608281896 /nfs/dbraw/zinc/28/18/96/608281896.db2.gz OBRMGNGGRNZUDN-AWEZNQCLSA-N 1 0 396.451 2.261 20 0 GEADRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(NS(C)(=O)=O)cc1 ZINC000824604405 608285206 /nfs/dbraw/zinc/28/52/06/608285206.db2.gz CJTBSCNYFBTMBL-NSHDSACASA-N 1 0 390.444 2.228 20 0 GEADRO CCC[C@H]1CN(c2nc3ccccc3cc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825259572 608303707 /nfs/dbraw/zinc/30/37/07/608303707.db2.gz JJLKFCFQWOBECX-INIZCTEOSA-N 1 0 381.484 2.352 20 0 GEADRO O=C(NCC[NH+]1CCC1)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826437397 608359369 /nfs/dbraw/zinc/35/93/69/608359369.db2.gz JPVHNQIMCCVHSZ-UHFFFAOYSA-N 1 0 377.452 2.039 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000826168100 608368077 /nfs/dbraw/zinc/36/80/77/608368077.db2.gz BTEKFPHPKGOFFJ-OAHLLOKOSA-N 1 0 388.472 2.317 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000826169454 608375885 /nfs/dbraw/zinc/37/58/85/608375885.db2.gz SOBCBMIPZZANQK-ZDUSSCGKSA-N 1 0 388.472 2.317 20 0 GEADRO C[N@@H+]1CCC[C@H](CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000826028730 608379621 /nfs/dbraw/zinc/37/96/21/608379621.db2.gz GVACQNZGPQELCR-SNVBAGLBSA-N 1 0 375.839 2.383 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000826175480 608384911 /nfs/dbraw/zinc/38/49/11/608384911.db2.gz GUDPERQQIHLZMA-UHFFFAOYSA-N 1 0 383.456 2.165 20 0 GEADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000446259845 649975583 /nfs/dbraw/zinc/97/55/83/649975583.db2.gz GSPUCZGNDUWBPB-PPHDSNJXSA-N 1 0 387.311 2.449 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1-c1nn[nH]n1 ZINC000826194277 608410538 /nfs/dbraw/zinc/41/05/38/608410538.db2.gz HRZRSKHOPSJNEH-AWEZNQCLSA-N 1 0 380.456 2.181 20 0 GEADRO CC[NH+]1CCC(NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000825451596 608418246 /nfs/dbraw/zinc/41/82/46/608418246.db2.gz JPPOQPBMDSVYEU-UHFFFAOYSA-N 1 0 381.484 2.150 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@@H+]1C ZINC000824892608 608419708 /nfs/dbraw/zinc/41/97/08/608419708.db2.gz KSAQRSMRJBZSFS-RDTXWAMCSA-N 1 0 381.484 2.148 20 0 GEADRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000826284442 608429865 /nfs/dbraw/zinc/42/98/65/608429865.db2.gz UCJGKRASEOJKSL-FQEVSTJZSA-N 1 0 396.470 2.477 20 0 GEADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)c2)CC1 ZINC000824301246 608449378 /nfs/dbraw/zinc/44/93/78/608449378.db2.gz UXHATUAVUOGKRI-UHFFFAOYSA-N 1 0 392.467 2.044 20 0 GEADRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000826331057 608453929 /nfs/dbraw/zinc/45/39/29/608453929.db2.gz RTAPEVVIYAFECM-UHFFFAOYSA-N 1 0 377.399 2.495 20 0 GEADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)CC1CCOCC1 ZINC000824052592 608459089 /nfs/dbraw/zinc/45/90/89/608459089.db2.gz PVHCGZLFOYUFRT-LLVKDONJSA-N 1 0 390.513 2.102 20 0 GEADRO CCc1ccnc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000825727867 608459915 /nfs/dbraw/zinc/45/99/15/608459915.db2.gz BPPRBKVOMHUQJF-UHFFFAOYSA-N 1 0 391.479 2.172 20 0 GEADRO Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826297224 608460447 /nfs/dbraw/zinc/46/04/47/608460447.db2.gz ZESKJGFJRCWPEM-MRXNPFEDSA-N 1 0 394.479 2.329 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564803 608460783 /nfs/dbraw/zinc/46/07/83/608460783.db2.gz WAJHTCAUGOTYEL-MPGHIAIKSA-N 1 0 386.500 2.229 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564805 608460869 /nfs/dbraw/zinc/46/08/69/608460869.db2.gz WAJHTCAUGOTYEL-RLFYNMQTSA-N 1 0 386.500 2.229 20 0 GEADRO Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826299749 608464799 /nfs/dbraw/zinc/46/47/99/608464799.db2.gz SXJZSRHHISZZKF-CQSZACIVSA-N 1 0 393.451 2.482 20 0 GEADRO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826291044 608467100 /nfs/dbraw/zinc/46/71/00/608467100.db2.gz MSAXOWXPHKPVDI-AWEZNQCLSA-N 1 0 393.451 2.482 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562834 608468709 /nfs/dbraw/zinc/46/87/09/608468709.db2.gz JVJCSMUCUQKQQV-NSHDSACASA-N 1 0 383.481 2.491 20 0 GEADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825648968 608471917 /nfs/dbraw/zinc/47/19/17/608471917.db2.gz IMEFOYNILYRPHT-AWEZNQCLSA-N 1 0 380.452 2.232 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(C)(C)c1ccccc1 ZINC000824562823 608477131 /nfs/dbraw/zinc/47/71/31/608477131.db2.gz JNCHNPGZDARSST-HNNXBMFYSA-N 1 0 378.480 2.439 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)c1cccc(-c2nn[nH]n2)c1 ZINC000824564128 608483528 /nfs/dbraw/zinc/48/35/28/608483528.db2.gz RYMOVFRWJZCIJK-ZDUSSCGKSA-N 1 0 394.435 2.317 20 0 GEADRO CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825605012 608488705 /nfs/dbraw/zinc/48/87/05/608488705.db2.gz NIJYTKAEUFQVTB-HNNXBMFYSA-N 1 0 394.479 2.370 20 0 GEADRO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000825296711 608490122 /nfs/dbraw/zinc/49/01/22/608490122.db2.gz TZHAGSWPRWGGQY-NSHDSACASA-N 1 0 386.485 2.350 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562865 608490389 /nfs/dbraw/zinc/49/03/89/608490389.db2.gz KLIKFJIRJLMGLI-ZDUSSCGKSA-N 1 0 380.456 2.468 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCC(c2ccccc2)=N1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554760 608490630 /nfs/dbraw/zinc/49/06/30/608490630.db2.gz RZANKLJFBXFBCF-AWEZNQCLSA-N 1 0 375.436 2.154 20 0 GEADRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825560879 608494154 /nfs/dbraw/zinc/49/41/54/608494154.db2.gz WUZWKHQGNAZGNA-CYBMUJFWSA-N 1 0 394.435 2.333 20 0 GEADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+]CCc1nnc2n1CCCCC2 ZINC000826518650 608499511 /nfs/dbraw/zinc/49/95/11/608499511.db2.gz UNTUTJZJBJAXFH-KRWDZBQOSA-N 1 0 378.484 2.394 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)Cc1ccccc1 ZINC000826485072 608504251 /nfs/dbraw/zinc/50/42/51/608504251.db2.gz AWIZTVBIILULHY-LJQANCHMSA-N 1 0 397.504 2.449 20 0 GEADRO c1[nH]nc2cc(CN3CCC[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)ccc12 ZINC000826514043 608507957 /nfs/dbraw/zinc/50/79/57/608507957.db2.gz FNEBPFDBDOEEDZ-UHFFFAOYSA-N 1 0 388.479 2.451 20 0 GEADRO CN(C)c1ncc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000825883458 608508479 /nfs/dbraw/zinc/50/84/79/608508479.db2.gz HGNCIAYVITWLRT-UHFFFAOYSA-N 1 0 398.540 2.097 20 0 GEADRO c1cnnc(N2CCC[C@H]2C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826526161 608510210 /nfs/dbraw/zinc/51/02/10/608510210.db2.gz NNQBNBYPBQKCOB-FUHWJXTLSA-N 1 0 376.468 2.293 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000826519111 608516111 /nfs/dbraw/zinc/51/61/11/608516111.db2.gz KPVNKDQEDVVWNC-UHFFFAOYSA-N 1 0 380.500 2.212 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1-n1cccn1 ZINC000824569377 608517571 /nfs/dbraw/zinc/51/75/71/608517571.db2.gz HJJBICHZJZRJMX-IFXJQAMLSA-N 1 0 375.436 2.437 20 0 GEADRO COc1ccc(C(=O)NCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826187110 608519780 /nfs/dbraw/zinc/51/97/80/608519780.db2.gz AJVLVCYRHOHHOX-LJQANCHMSA-N 1 0 392.463 2.272 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000826412700 608533243 /nfs/dbraw/zinc/53/32/43/608533243.db2.gz ZSBZSIZYQVEFHF-AWEZNQCLSA-N 1 0 394.401 2.246 20 0 GEADRO CCOc1cccc(CNC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000825648848 608533247 /nfs/dbraw/zinc/53/32/47/608533247.db2.gz DUZSCWYJXIVJOG-UHFFFAOYSA-N 1 0 392.463 2.161 20 0 GEADRO O=C(CC[NH2+][C@H](CCCO)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000826407204 608536919 /nfs/dbraw/zinc/53/69/19/608536919.db2.gz FGJMVJYPVZVLJO-OAHLLOKOSA-N 1 0 386.481 2.360 20 0 GEADRO CC(C)([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000824167768 608550322 /nfs/dbraw/zinc/55/03/22/608550322.db2.gz UQPNVJFAGWZYJR-UHFFFAOYSA-N 1 0 386.406 2.286 20 0 GEADRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826283126 608552388 /nfs/dbraw/zinc/55/23/88/608552388.db2.gz LBXVBTWGVPVWTJ-CYBMUJFWSA-N 1 0 389.456 2.439 20 0 GEADRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)nc1 ZINC000826290555 608560002 /nfs/dbraw/zinc/56/00/02/608560002.db2.gz QEHXESKNJFQTGX-UHFFFAOYSA-N 1 0 383.481 2.482 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000826184009 608560924 /nfs/dbraw/zinc/56/09/24/608560924.db2.gz HYZPRBQMOYDDGN-CYBMUJFWSA-N 1 0 376.424 2.307 20 0 GEADRO c1cc2c(c(C[NH2+]C3CCC(Oc4ccc(-c5nn[nH]n5)cn4)CC3)c1)OCO2 ZINC000826516009 608570382 /nfs/dbraw/zinc/57/03/82/608570382.db2.gz UGSGXGIUBSYHDL-UHFFFAOYSA-N 1 0 394.435 2.470 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824586336 608579344 /nfs/dbraw/zinc/57/93/44/608579344.db2.gz YETVQAWONLWKJW-QYSRSOONSA-N 1 0 398.492 2.284 20 0 GEADRO CN(C)c1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000825879056 608584708 /nfs/dbraw/zinc/58/47/08/608584708.db2.gz GJQHVALUDQTCMC-UHFFFAOYSA-N 1 0 378.484 2.040 20 0 GEADRO CCCCCC(=O)NC1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825268826 608660407 /nfs/dbraw/zinc/66/04/07/608660407.db2.gz ZIJSIGAGTVCWOE-UHFFFAOYSA-N 1 0 396.499 2.175 20 0 GEADRO CC[NH+]1CCN(Cc2ccccc2CNc2cnccc2-c2nn[nH]n2)CC1 ZINC000825459096 608770879 /nfs/dbraw/zinc/77/08/79/608770879.db2.gz HXNFGIJFWVYYDI-UHFFFAOYSA-N 1 0 378.484 2.011 20 0 GEADRO C/C(=C/c1ccccc1)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000823943086 608837239 /nfs/dbraw/zinc/83/72/39/608837239.db2.gz MRWVGNDQPPDJSA-RTYFKUQISA-N 1 0 376.468 2.271 20 0 GEADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000826358019 608848071 /nfs/dbraw/zinc/84/80/71/608848071.db2.gz AJOBFMCWWVKOMG-SFHVURJKSA-N 1 0 392.463 2.125 20 0 GEADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)c2)c1 ZINC000826515848 608859561 /nfs/dbraw/zinc/85/95/61/608859561.db2.gz NJNRSZSSHVSQLX-HDICACEKSA-N 1 0 376.464 2.097 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824571741 609141445 /nfs/dbraw/zinc/14/14/45/609141445.db2.gz ROMXLDNSTGSROM-CMPLNLGQSA-N 1 0 393.369 2.375 20 0 GEADRO C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824617344 609153444 /nfs/dbraw/zinc/15/34/44/609153444.db2.gz GVLBGDJVPMHDMJ-NSHDSACASA-N 1 0 387.440 2.186 20 0 GEADRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000824545986 609168740 /nfs/dbraw/zinc/16/87/40/609168740.db2.gz FWFHXIXTQBEPPL-RDTXWAMCSA-N 1 0 394.483 2.490 20 0 GEADRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826314783 609169179 /nfs/dbraw/zinc/16/91/79/609169179.db2.gz MMMZSCSLQSWSEO-KBXCAEBGSA-N 1 0 377.452 2.416 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824936021 609231081 /nfs/dbraw/zinc/23/10/81/609231081.db2.gz DMNDCHOPMNYCNA-JTDSTZFVSA-N 1 0 398.511 2.013 20 0 GEADRO O=C(C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)NCCc1ccccc1 ZINC000826412590 609233115 /nfs/dbraw/zinc/23/31/15/609233115.db2.gz UVSMGGXPOWVDKH-IBGZPJMESA-N 1 0 376.464 2.193 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@@H+]3CCC[C@H]3C3CCOCC3)o2)c1 ZINC000826512918 609284223 /nfs/dbraw/zinc/28/42/23/609284223.db2.gz TXZUITWDMSBMCB-INIZCTEOSA-N 1 0 381.440 2.308 20 0 GEADRO C[C@@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824480098 609284776 /nfs/dbraw/zinc/28/47/76/609284776.db2.gz SVKMAHBVLBLAFU-ZBFHGGJFSA-N 1 0 384.484 2.015 20 0 GEADRO C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC000824045009 609291654 /nfs/dbraw/zinc/29/16/54/609291654.db2.gz CYDCVQOCGDGKTC-CYBMUJFWSA-N 1 0 398.446 2.395 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000824315664 609292963 /nfs/dbraw/zinc/29/29/63/609292963.db2.gz SJIISXVDDHUYRN-UHFFFAOYSA-N 1 0 392.891 2.139 20 0 GEADRO Cc1noc(C2(C)CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000826339669 609297835 /nfs/dbraw/zinc/29/78/35/609297835.db2.gz NWMWPVAXUYWEMM-UHFFFAOYSA-N 1 0 383.456 2.381 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000824319695 609315514 /nfs/dbraw/zinc/31/55/14/609315514.db2.gz YVMXUEGGISIRIK-ZDUSSCGKSA-N 1 0 385.472 2.426 20 0 GEADRO C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824627299 609326649 /nfs/dbraw/zinc/32/66/49/609326649.db2.gz WOCRNZXHAGRITA-ZDUSSCGKSA-N 1 0 378.415 2.496 20 0 GEADRO COc1cc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)ccc1OCCO ZINC000826179645 609328036 /nfs/dbraw/zinc/32/80/36/609328036.db2.gz XRSPTDOULGQANZ-GFCCVEGCSA-N 1 0 387.415 2.236 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824569590 609329289 /nfs/dbraw/zinc/32/92/89/609329289.db2.gz JBJUFJXOJIJXHD-SMDDNHRTSA-N 1 0 375.379 2.235 20 0 GEADRO Cc1cc(C)n(CCC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826265293 609335406 /nfs/dbraw/zinc/33/54/06/609335406.db2.gz SZXLMCWOTWTXMR-UHFFFAOYSA-N 1 0 391.483 2.260 20 0 GEADRO Cn1cc(C[NH2+]C[C@H](O)c2ccsc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361132 609340128 /nfs/dbraw/zinc/34/01/28/609340128.db2.gz 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379.295 2.302 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000451305417 650102216 /nfs/dbraw/zinc/10/22/16/650102216.db2.gz KIIPMHZLBLWGEB-WFASDCNBSA-N 1 0 380.432 2.000 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451308109 650102579 /nfs/dbraw/zinc/10/25/79/650102579.db2.gz AUXPCALNSHNHLG-MEBBXXQBSA-N 1 0 391.306 2.490 20 0 GEADRO C[C@H]1CN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1[NH+](C)C ZINC000451312921 650102819 /nfs/dbraw/zinc/10/28/19/650102819.db2.gz VPBHKMHJRKCFRX-HZMBPMFUSA-N 1 0 379.295 2.300 20 0 GEADRO COC[C@@]1(C(=O)OC)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000451327098 650103756 /nfs/dbraw/zinc/10/37/56/650103756.db2.gz FZRNLTDXOLSCMN-CXAGYDPISA-N 1 0 392.279 2.245 20 0 GEADRO COC[C@]1(C(=O)OC)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000451327099 650103842 /nfs/dbraw/zinc/10/38/42/650103842.db2.gz FZRNLTDXOLSCMN-DYVFJYSZSA-N 1 0 392.279 2.245 20 0 GEADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)cn1 ZINC000451349354 650106021 /nfs/dbraw/zinc/10/60/21/650106021.db2.gz BEZLABOPWMEVDK-MRXNPFEDSA-N 1 0 386.880 2.232 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C2(CCCC2)CN1C[C@H](O)C(F)(F)F ZINC000451349919 650106026 /nfs/dbraw/zinc/10/60/26/650106026.db2.gz ZVLMUSKSYGHFTC-WOPDTQHZSA-N 1 0 378.357 2.152 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2sccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000451362049 650107471 /nfs/dbraw/zinc/10/74/71/650107471.db2.gz PGZROLVJEXJKOA-TZMCWYRMSA-N 1 0 377.963 2.048 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000451382916 650109541 /nfs/dbraw/zinc/10/95/41/650109541.db2.gz JEIHMWYKQZQJER-WFASDCNBSA-N 1 0 386.901 2.150 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000451387115 650109990 /nfs/dbraw/zinc/10/99/90/650109990.db2.gz YODPUACBZIXVMV-XHDPSFHLSA-N 1 0 378.416 2.429 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(S(=O)(=O)c3sccc3Cl)CC2)CC1 ZINC000451393231 650110753 /nfs/dbraw/zinc/11/07/53/650110753.db2.gz JABCDWJMKQZXSS-UHFFFAOYSA-N 1 0 391.990 2.440 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)CCOCc2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000451413796 650111997 /nfs/dbraw/zinc/11/19/97/650111997.db2.gz ZDBDQSDAZXNRRE-ROUUACIJSA-N 1 0 384.567 2.045 20 0 GEADRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@H](C)N1CCO ZINC000451657261 650129406 /nfs/dbraw/zinc/12/94/06/650129406.db2.gz YFEIBNFXZKOPKB-OKILXGFUSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451670943 650131894 /nfs/dbraw/zinc/13/18/94/650131894.db2.gz XQJQUKMHZYXXGV-MJBXVCDLSA-N 1 0 384.318 2.163 20 0 GEADRO C[C@](CO)([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000451904528 650151610 /nfs/dbraw/zinc/15/16/10/650151610.db2.gz GCKXWOGXDCIVOA-MLGOLLRUSA-N 1 0 395.352 2.462 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1Cl ZINC000451933438 650154833 /nfs/dbraw/zinc/15/48/33/650154833.db2.gz QCVZYWGITPYEJO-QMMMGPOBSA-N 1 0 385.711 2.340 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452066812 650170735 /nfs/dbraw/zinc/17/07/35/650170735.db2.gz LJLUVTRECAKZHG-GYSYKLTISA-N 1 0 388.249 2.321 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452069950 650171104 /nfs/dbraw/zinc/17/11/04/650171104.db2.gz QZTPLUSPNISPOM-UHIISALHSA-N 1 0 388.249 2.321 20 0 GEADRO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCN(CCC(F)(F)F)CC1 ZINC000452117301 650174701 /nfs/dbraw/zinc/17/47/01/650174701.db2.gz NJAHLBIJQKSZRG-CQSZACIVSA-N 1 0 385.496 2.007 20 0 GEADRO C[C@@H]1C[N@H+](CCO)CCN1CCOc1ccc(Cl)cc1Br ZINC000452117627 650174935 /nfs/dbraw/zinc/17/49/35/650174935.db2.gz ODFBZBJWSNXAGY-GFCCVEGCSA-N 1 0 377.710 2.480 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C1=Cc2cc(Br)ccc2OC1 ZINC000452375439 650182940 /nfs/dbraw/zinc/18/29/40/650182940.db2.gz XZDKRXYXWSHMLI-MRXNPFEDSA-N 1 0 395.297 2.188 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)C1=Cc2cc(Br)ccc2OC1 ZINC000452375920 650183101 /nfs/dbraw/zinc/18/31/01/650183101.db2.gz AZVBBVOCPKKUHV-INIZCTEOSA-N 1 0 395.297 2.188 20 0 GEADRO O=C(CCc1cc(Br)ccc1F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452385104 650183494 /nfs/dbraw/zinc/18/34/94/650183494.db2.gz TURZMRINMIVQRF-OAHLLOKOSA-N 1 0 387.293 2.484 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452388759 650183679 /nfs/dbraw/zinc/18/36/79/650183679.db2.gz KJQIMBAUSWWDBJ-KBPBESRZSA-N 1 0 385.302 2.179 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)NCCn1cc(Br)ccc1=O ZINC000452732057 650194739 /nfs/dbraw/zinc/19/47/39/650194739.db2.gz PMAQQFFTTNKUOP-UHFFFAOYSA-N 1 0 384.299 2.164 20 0 GEADRO O=C(CCOc1cccc(Br)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452784277 650197415 /nfs/dbraw/zinc/19/74/15/650197415.db2.gz OKDADNWUUZHZPP-HNNXBMFYSA-N 1 0 385.302 2.181 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1ccncn1 ZINC000453094527 650205553 /nfs/dbraw/zinc/20/55/53/650205553.db2.gz PYLNLAKNSFNHMU-WCQYABFASA-N 1 0 399.232 2.172 20 0 GEADRO COC1([C@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CCOCC1 ZINC000453211008 650207033 /nfs/dbraw/zinc/20/70/33/650207033.db2.gz KKSLFOJEOKSYNS-AWEZNQCLSA-N 1 0 390.933 2.182 20 0 GEADRO CC[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 ZINC000453283471 650207854 /nfs/dbraw/zinc/20/78/54/650207854.db2.gz VIQFVFZGRPAHKX-UONOGXRCSA-N 1 0 380.279 2.179 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1Br ZINC000453343886 650208217 /nfs/dbraw/zinc/20/82/17/650208217.db2.gz CXTKCVYGDDMSCW-GJZGRUSLSA-N 1 0 390.343 2.075 20 0 GEADRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453377454 650208807 /nfs/dbraw/zinc/20/88/07/650208807.db2.gz XLMCAFFTENCXFJ-RRFJBIMHSA-N 1 0 376.906 2.093 20 0 GEADRO CCC1(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)COC1 ZINC000453380738 650208922 /nfs/dbraw/zinc/20/89/22/650208922.db2.gz RECYPMAUAPNZSG-SNVBAGLBSA-N 1 0 377.304 2.174 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000453650605 650212283 /nfs/dbraw/zinc/21/22/83/650212283.db2.gz HVJOAZLWWQAMLF-NSHDSACASA-N 1 0 391.269 2.004 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000453607500 650210288 /nfs/dbraw/zinc/21/02/88/650210288.db2.gz GCOAZOAAGDSJDF-NEPJUHHUSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000453610989 650210616 /nfs/dbraw/zinc/21/06/16/650210616.db2.gz RJCDXLQAOCGYFG-RYUDHWBXSA-N 1 0 397.317 2.470 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453630500 650211216 /nfs/dbraw/zinc/21/12/16/650211216.db2.gz BJLJOXKAPVAKNE-LLVKDONJSA-N 1 0 393.285 2.392 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453655158 650212948 /nfs/dbraw/zinc/21/29/48/650212948.db2.gz PENQCCBIXRKKTR-CYBMUJFWSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000453677111 650214598 /nfs/dbraw/zinc/21/45/98/650214598.db2.gz ZOUWYFHEKVSVPV-CYBMUJFWSA-N 1 0 397.317 2.185 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000453681379 650214948 /nfs/dbraw/zinc/21/49/48/650214948.db2.gz ZTNQAOWULWYIJU-CHWSQXEVSA-N 1 0 383.290 2.080 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C[NH+](C)C ZINC000453752476 650222765 /nfs/dbraw/zinc/22/27/65/650222765.db2.gz CPJCZOSJPJJKJG-SECBINFHSA-N 1 0 376.682 2.355 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000453808673 650228415 /nfs/dbraw/zinc/22/84/15/650228415.db2.gz RYEVGBFUIAIRDC-SNVBAGLBSA-N 1 0 392.258 2.034 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12)C[NH+](C)C ZINC000453768463 650224761 /nfs/dbraw/zinc/22/47/61/650224761.db2.gz ULBDXWRSBAINCG-LLVKDONJSA-N 1 0 393.285 2.250 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2Br)CC[N@@H+](C2CC2)C1 ZINC000453768305 650224812 /nfs/dbraw/zinc/22/48/12/650224812.db2.gz MGAHZAFHQVIVOJ-NSHDSACASA-N 1 0 398.276 2.469 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@@H+](C2CC2)C1 ZINC000453770178 650225090 /nfs/dbraw/zinc/22/50/90/650225090.db2.gz LKKSPUYEDFSYMF-GFCCVEGCSA-N 1 0 380.286 2.330 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@@H+](C2CC2)C1 ZINC000453770180 650225231 /nfs/dbraw/zinc/22/52/31/650225231.db2.gz LKKSPUYEDFSYMF-LBPRGKRZSA-N 1 0 380.286 2.330 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000454081229 650251035 /nfs/dbraw/zinc/25/10/35/650251035.db2.gz CIKBQUNFRKKKHK-LBPRGKRZSA-N 1 0 386.265 2.468 20 0 GEADRO CCSc1nnc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)s1 ZINC000454212358 650258857 /nfs/dbraw/zinc/25/88/57/650258857.db2.gz VSQGBUSGYROMQE-FUNVUKJBSA-N 1 0 385.559 2.756 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(c4ccc(Br)cc4)C3)C[C@@H]21 ZINC000454432040 650266411 /nfs/dbraw/zinc/26/64/11/650266411.db2.gz MBAWEADWQZAVKB-KMFMINBZSA-N 1 0 393.329 2.373 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454477274 650267332 /nfs/dbraw/zinc/26/73/32/650267332.db2.gz CPICKZFEXWOJBK-MJSXRHKHSA-N 1 0 381.318 2.007 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC/C=C/c2ccc(Br)cc2)C1 ZINC000454540796 650269128 /nfs/dbraw/zinc/26/91/28/650269128.db2.gz JYFSCINBZVNFQR-WOMSROEHSA-N 1 0 382.302 2.482 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000454669286 650275079 /nfs/dbraw/zinc/27/50/79/650275079.db2.gz YMJOFYLHNGNXMH-UHFFFAOYSA-N 1 0 399.333 2.032 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)NC/C=C/c2ccc(Br)cc2)n1 ZINC000454864888 650281089 /nfs/dbraw/zinc/28/10/89/650281089.db2.gz RBUVPLRDRTUSTH-ONEGZZNKSA-N 1 0 392.301 3.042 20 0 GEADRO COc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000454902236 650282366 /nfs/dbraw/zinc/28/23/66/650282366.db2.gz CMKDLOFEOCHNPJ-ZDUSSCGKSA-N 1 0 386.290 2.426 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000455160953 650293080 /nfs/dbraw/zinc/29/30/80/650293080.db2.gz PLAPTEIABMXHBU-UHFFFAOYSA-N 1 0 399.333 2.175 20 0 GEADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3cc(Br)ccn3)n2)CC1 ZINC000455338193 650299257 /nfs/dbraw/zinc/29/92/57/650299257.db2.gz RDTHBSLVZSZUBN-UHFFFAOYSA-N 1 0 393.289 2.629 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000455378898 650301786 /nfs/dbraw/zinc/30/17/86/650301786.db2.gz RDZPLFUSKZWMTQ-GFCCVEGCSA-N 1 0 386.319 2.346 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455530328 650307551 /nfs/dbraw/zinc/30/75/51/650307551.db2.gz YEJDUZZQSLRNOO-XOKHGSTOSA-N 1 0 380.330 2.305 20 0 GEADRO CC(C)C[C@@H](CNC(=O)c1ccc(I)cn1)[NH+](C)C ZINC000455637836 650310552 /nfs/dbraw/zinc/31/05/52/650310552.db2.gz JWAYVWJIAQWYAU-LBPRGKRZSA-N 1 0 375.254 2.392 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000455691398 650312731 /nfs/dbraw/zinc/31/27/31/650312731.db2.gz ZNJBDGMWWKHJQU-NWDGAFQWSA-N 1 0 380.436 2.465 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)Nc2nnc3ccc(Br)cn32)CC1 ZINC000455751136 650315842 /nfs/dbraw/zinc/31/58/42/650315842.db2.gz HLHJFWLJLGSCAK-UHFFFAOYSA-N 1 0 395.305 2.735 20 0 GEADRO CC(C)(CNC(=O)Nc1nnc2ccc(Br)cn21)C[NH+]1CCCC1 ZINC000455754319 650316159 /nfs/dbraw/zinc/31/61/59/650316159.db2.gz KTSATVWXYOQQQX-UHFFFAOYSA-N 1 0 395.305 2.735 20 0 GEADRO C[C@@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000455855564 650321924 /nfs/dbraw/zinc/32/19/24/650321924.db2.gz ZJQNMSREDDRGKO-NEPJUHHUSA-N 1 0 395.305 2.734 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(I)cn2)C1 ZINC000455789728 650318215 /nfs/dbraw/zinc/31/82/15/650318215.db2.gz YEVHCIDWKQNHJR-GFCCVEGCSA-N 1 0 387.265 2.490 20 0 GEADRO CN(Cc1cn2c(n1)CCCC2)C(=O)c1ccc(I)cn1 ZINC000456048874 650328395 /nfs/dbraw/zinc/32/83/95/650328395.db2.gz VUCKSHQPQTVWJL-UHFFFAOYSA-N 1 0 396.232 2.491 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(I)cn1 ZINC000456055615 650328875 /nfs/dbraw/zinc/32/88/75/650328875.db2.gz STOKADMMJYUFCH-RISCZKNCSA-N 1 0 385.249 2.385 20 0 GEADRO CN1CCN(c2ncc(Br)cc2NC(=O)CSC2CC2)CC1 ZINC000456588501 650350132 /nfs/dbraw/zinc/35/01/32/650350132.db2.gz NPLKJLWTJNEMHV-UHFFFAOYSA-N 1 0 385.331 2.430 20 0 GEADRO CN(C)c1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)ncc1Br ZINC000456686546 650354456 /nfs/dbraw/zinc/35/44/56/650354456.db2.gz ZXTYQBDVYCGYLJ-CQSZACIVSA-N 1 0 397.317 2.492 20 0 GEADRO CN(C)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)ncc1Br ZINC000456686545 650354490 /nfs/dbraw/zinc/35/44/90/650354490.db2.gz ZXTYQBDVYCGYLJ-AWEZNQCLSA-N 1 0 397.317 2.492 20 0 GEADRO CSc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000500244171 650373549 /nfs/dbraw/zinc/37/35/49/650373549.db2.gz GFHOLZQZRUFVRF-LBPRGKRZSA-N 1 0 379.507 2.345 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000457021625 650371193 /nfs/dbraw/zinc/37/11/93/650371193.db2.gz FSDAOLSJFICMQC-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000457378796 650377116 /nfs/dbraw/zinc/37/71/16/650377116.db2.gz NSPAVZMSNMPBDG-LALPHHSUSA-N 1 0 380.286 2.140 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000500466925 650377848 /nfs/dbraw/zinc/37/78/48/650377848.db2.gz ZZOZJDSHFGCTJR-IINYFYTJSA-N 1 0 379.295 2.396 20 0 GEADRO C[NH+]1CCN(c2cc(CNC(=O)c3cc(Br)co3)ccn2)CC1 ZINC000457446833 650379213 /nfs/dbraw/zinc/37/92/13/650379213.db2.gz CXTRIGRSCOPNIA-UHFFFAOYSA-N 1 0 379.258 2.119 20 0 GEADRO NC(=O)[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1cccc(Br)c1 ZINC000457514511 650380175 /nfs/dbraw/zinc/38/01/75/650380175.db2.gz OAVVIQYNEZOZIG-MRXNPFEDSA-N 1 0 394.313 2.356 20 0 GEADRO CC[C@H](CC(F)F)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000457755478 650383726 /nfs/dbraw/zinc/38/37/26/650383726.db2.gz QADMXWQVAUJEJF-GFCCVEGCSA-N 1 0 377.457 2.146 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2csc(Br)c2)C[C@H](C)[N@H+]1CCO ZINC000457806737 650384984 /nfs/dbraw/zinc/38/49/84/650384984.db2.gz MSOSJJMMJPXBIX-PHIMTYICSA-N 1 0 376.320 2.107 20 0 GEADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)CC1 ZINC000500940931 650385160 /nfs/dbraw/zinc/38/51/60/650385160.db2.gz UPKWRZKFMYKFJJ-UHFFFAOYSA-N 1 0 385.921 2.091 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000501256111 650388600 /nfs/dbraw/zinc/38/86/00/650388600.db2.gz ZZSXTRCXKIKTRQ-HUUCEWRRSA-N 1 0 387.571 2.138 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000457913544 650389505 /nfs/dbraw/zinc/38/95/05/650389505.db2.gz OJAWYXLBXYLMMZ-AWEZNQCLSA-N 1 0 394.317 2.155 20 0 GEADRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000501535684 650394548 /nfs/dbraw/zinc/39/45/48/650394548.db2.gz XHDWRTLOUKMPKS-GFCCVEGCSA-N 1 0 379.507 2.345 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000501319585 650389792 /nfs/dbraw/zinc/38/97/92/650389792.db2.gz HLNHJLJXXIMXSQ-LBPRGKRZSA-N 1 0 383.286 2.315 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(F)cc(Br)c2)C[C@H](C)[N@H+]1CCO ZINC000457957405 650390617 /nfs/dbraw/zinc/39/06/17/650390617.db2.gz MMTLKRMGOHCKDG-TXEJJXNPSA-N 1 0 388.281 2.185 20 0 GEADRO O=c1n(CC[NH2+][C@@H]2CCOc3c(Br)cccc32)nc2ccccn21 ZINC000501506140 650393359 /nfs/dbraw/zinc/39/33/59/650393359.db2.gz VOOQVYIVVLAKMN-CQSZACIVSA-N 1 0 389.253 2.372 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)C[C@H](C)O1 ZINC000501547345 650394651 /nfs/dbraw/zinc/39/46/51/650394651.db2.gz CKSWFSAWMHHCPD-UMPJEAMMSA-N 1 0 399.329 2.332 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000458104477 650395328 /nfs/dbraw/zinc/39/53/28/650395328.db2.gz YVCBBZPKWFZEOA-DFBGVHRSSA-N 1 0 385.306 2.314 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccc(Br)c(F)c2)C[C@H](C)[N@H+]1CCO ZINC000458106521 650395343 /nfs/dbraw/zinc/39/53/43/650395343.db2.gz LBXAULKODHIBMX-TXEJJXNPSA-N 1 0 388.281 2.185 20 0 GEADRO C[NH+]1CCC(C(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000458125626 650396561 /nfs/dbraw/zinc/39/65/61/650396561.db2.gz CAQKCBAKKYIFEC-ZDUSSCGKSA-N 1 0 387.293 2.197 20 0 GEADRO C[NH+]1CCC(C(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000458125624 650396645 /nfs/dbraw/zinc/39/66/45/650396645.db2.gz CAQKCBAKKYIFEC-CYBMUJFWSA-N 1 0 387.293 2.197 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000502112086 650401106 /nfs/dbraw/zinc/40/11/06/650401106.db2.gz WRRQRWHNCZMRAP-JKSUJKDBSA-N 1 0 382.302 2.227 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000458168897 650398511 /nfs/dbraw/zinc/39/85/11/650398511.db2.gz DUHUMMYIJYDJSX-ZDUSSCGKSA-N 1 0 382.302 2.027 20 0 GEADRO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)sc1S(N)(=O)=O ZINC000458266073 650399364 /nfs/dbraw/zinc/39/93/64/650399364.db2.gz CYTQLTHGIKDGKQ-UHFFFAOYSA-N 1 0 383.495 2.026 20 0 GEADRO CC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H](O)C(F)F ZINC000458390082 650401945 /nfs/dbraw/zinc/40/19/45/650401945.db2.gz QKELHTQOFFXXTA-UONOGXRCSA-N 1 0 379.517 2.442 20 0 GEADRO CC[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H](O)C(F)F ZINC000458390083 650402103 /nfs/dbraw/zinc/40/21/03/650402103.db2.gz QKELHTQOFFXXTA-ZIAGYGMSSA-N 1 0 379.517 2.442 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000502229735 650403864 /nfs/dbraw/zinc/40/38/64/650403864.db2.gz ITVLQUNHZYXAQZ-UHFFFAOYSA-N 1 0 383.436 2.177 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458727714 650409474 /nfs/dbraw/zinc/40/94/74/650409474.db2.gz IQKQXNZNRDNLHI-JLJPHGGASA-N 1 0 396.329 2.451 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cn1 ZINC000458734301 650410241 /nfs/dbraw/zinc/41/02/41/650410241.db2.gz JTWJNWBHDDVVCN-GXTWGEPZSA-N 1 0 385.306 2.051 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C)C[C@@H]1[NH+](C)C ZINC000503220857 650416303 /nfs/dbraw/zinc/41/63/03/650416303.db2.gz QYHORUARHFOBAQ-STQMWFEESA-N 1 0 393.372 2.424 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000458863369 650412885 /nfs/dbraw/zinc/41/28/85/650412885.db2.gz YMJMACOAABPXTN-NSHDSACASA-N 1 0 376.270 2.263 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(Br)sc2C)C[C@H]1[NH+](C)C ZINC000503209588 650415682 /nfs/dbraw/zinc/41/56/82/650415682.db2.gz AQGRJRRDFJAGFK-ZJUUUORDSA-N 1 0 399.401 2.485 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)ccc2Br)C[C@@H]1[NH+](C)C ZINC000503211563 650415852 /nfs/dbraw/zinc/41/58/52/650415852.db2.gz JGTRPQIYSIRXSF-QWHCGFSZSA-N 1 0 393.372 2.424 20 0 GEADRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(O)c2Br)C1)N1CCOCC1 ZINC000459303777 650422105 /nfs/dbraw/zinc/42/21/05/650422105.db2.gz FPFFBNNBGBMXJE-CQSZACIVSA-N 1 0 383.286 2.226 20 0 GEADRO CS[C@@H]1CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000503775060 650422179 /nfs/dbraw/zinc/42/21/79/650422179.db2.gz PRDGKFIMHHOHSU-LSDHHAIUSA-N 1 0 383.583 2.429 20 0 GEADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000503447258 650417642 /nfs/dbraw/zinc/41/76/42/650417642.db2.gz PETWMZHIFWRIQZ-GXTWGEPZSA-N 1 0 391.946 2.190 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCc2cccc(Br)c2)CC1 ZINC000459151330 650420055 /nfs/dbraw/zinc/42/00/55/650420055.db2.gz OUVXKQDDSXXZPR-KRWDZBQOSA-N 1 0 398.345 2.384 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503599096 650420412 /nfs/dbraw/zinc/42/04/12/650420412.db2.gz FMNTXBAXLDAWPC-UHFFFAOYSA-N 1 0 390.272 2.024 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459218630 650421552 /nfs/dbraw/zinc/42/15/52/650421552.db2.gz QWBHLDKAYIBQOO-UHFFFAOYSA-N 1 0 398.305 2.045 20 0 GEADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]CCc1cccc(Cl)c1 ZINC000459421190 650424063 /nfs/dbraw/zinc/42/40/63/650424063.db2.gz WQLFGPDWYNPVRU-UHFFFAOYSA-N 1 0 382.913 2.285 20 0 GEADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)cn1 ZINC000459437880 650424225 /nfs/dbraw/zinc/42/42/25/650424225.db2.gz RMVZVJRNCKRPKA-UHFFFAOYSA-N 1 0 382.917 2.059 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H]1Sc1ccccc1 ZINC000459445734 650424522 /nfs/dbraw/zinc/42/45/22/650424522.db2.gz SJKOQTSVXLCOGS-DZJNRPSUSA-N 1 0 384.567 2.196 20 0 GEADRO C[C@@H]1NC(=O)N(CC[N@H+](C)[C@@H]2CCOc3ccc(Br)cc32)C1=O ZINC000459448883 650424802 /nfs/dbraw/zinc/42/48/02/650424802.db2.gz SSVPCCVNOCZROO-GXFFZTMASA-N 1 0 382.258 2.145 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000504062695 650426604 /nfs/dbraw/zinc/42/66/04/650426604.db2.gz LQYDRJGAOLKLHM-ARFHVFGLSA-N 1 0 382.302 2.409 20 0 GEADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCNS(=O)(=O)N(C)C ZINC000459529997 650427539 /nfs/dbraw/zinc/42/75/39/650427539.db2.gz AORJRWYOLYHMLH-HNNXBMFYSA-N 1 0 392.363 2.146 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@@H]1SC ZINC000459543543 650428065 /nfs/dbraw/zinc/42/80/65/650428065.db2.gz MOMIBZWMQJRKQJ-NFAWXSAZSA-N 1 0 396.937 2.256 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(O)c1Br ZINC000459549433 650428483 /nfs/dbraw/zinc/42/84/83/650428483.db2.gz RNEHOKMZNARCSW-WCQYABFASA-N 1 0 391.331 2.352 20 0 GEADRO C[C@H]1CN(C(=O)Cc2ccc(Br)cc2O)CC[N@@H+]1CC(C)(C)O ZINC000504415076 650430918 /nfs/dbraw/zinc/43/09/18/650430918.db2.gz HAPHAMRZZNQKNT-LBPRGKRZSA-N 1 0 385.302 2.001 20 0 GEADRO COCCn1cc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cn1 ZINC000459762026 650432431 /nfs/dbraw/zinc/43/24/31/650432431.db2.gz LIKKKAPMPUONMT-CVEARBPZSA-N 1 0 381.274 2.307 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000504820950 650432590 /nfs/dbraw/zinc/43/25/90/650432590.db2.gz VADPJDKEPNNZFL-DJSGYFEHSA-N 1 0 382.302 2.407 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000459861838 650434357 /nfs/dbraw/zinc/43/43/57/650434357.db2.gz ZDJNVHIDSKMURB-MRXNPFEDSA-N 1 0 396.329 2.350 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000505036880 650434497 /nfs/dbraw/zinc/43/44/97/650434497.db2.gz UYSNBNNWDUUNAI-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[NH+]1CCC1 ZINC000505392856 650437358 /nfs/dbraw/zinc/43/73/58/650437358.db2.gz ZGLJZRPNOPWBFV-HNNXBMFYSA-N 1 0 382.302 2.025 20 0 GEADRO CCCCc1nnc(NC(=O)CN2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)s1 ZINC000460356438 650441911 /nfs/dbraw/zinc/44/19/11/650441911.db2.gz ZZAPYBOOGSKQMS-KBPBESRZSA-N 1 0 383.587 2.331 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccsc2S1(=O)=O ZINC000460131730 650439593 /nfs/dbraw/zinc/43/95/93/650439593.db2.gz PSFJMFDOMCDQPG-JLNYLFASSA-N 1 0 383.539 2.281 20 0 GEADRO Cc1ccc(Br)cc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000460866821 650446984 /nfs/dbraw/zinc/44/69/84/650446984.db2.gz UTDXDQOXNODBEQ-MRXNPFEDSA-N 1 0 396.329 2.430 20 0 GEADRO C[C@@H]1CSC[C@@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000507628450 650465251 /nfs/dbraw/zinc/46/52/51/650465251.db2.gz FFZKXLFYAIBXHF-RISCZKNCSA-N 1 0 385.917 2.087 20 0 GEADRO C[C@@H]1CSC[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000507628446 650465412 /nfs/dbraw/zinc/46/54/12/650465412.db2.gz FFZKXLFYAIBXHF-BXUZGUMPSA-N 1 0 385.917 2.087 20 0 GEADRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)CCc1ccccc1Br ZINC000462083875 650466324 /nfs/dbraw/zinc/46/63/24/650466324.db2.gz JKDWRYKIUMJPFN-ZDUSSCGKSA-N 1 0 375.332 2.205 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc1OC ZINC000507858001 650468166 /nfs/dbraw/zinc/46/81/66/650468166.db2.gz BFHLPSUBGDSAQD-ZDUSSCGKSA-N 1 0 377.890 2.041 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCCc2ccncc2)CC1 ZINC000462312675 650474578 /nfs/dbraw/zinc/47/45/78/650474578.db2.gz KHUNBASPBBXVFU-UHFFFAOYSA-N 1 0 379.448 2.303 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cnn1-c1ccc(Cl)cc1 ZINC000462418190 650478531 /nfs/dbraw/zinc/47/85/31/650478531.db2.gz OXSYGHJFEDSPDM-QGZVFWFLSA-N 1 0 380.901 2.208 20 0 GEADRO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000462501006 650481989 /nfs/dbraw/zinc/48/19/89/650481989.db2.gz CDAYWHHQMDGYNF-CABCVRRESA-N 1 0 389.949 2.058 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000508970816 650485083 /nfs/dbraw/zinc/48/50/83/650485083.db2.gz RNTRTWZRICXNFR-HNNXBMFYSA-N 1 0 394.313 2.329 20 0 GEADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000462651196 650486916 /nfs/dbraw/zinc/48/69/16/650486916.db2.gz VXEAFLIWWLEIOD-GOSISDBHSA-N 1 0 381.929 2.466 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000462651464 650486945 /nfs/dbraw/zinc/48/69/45/650486945.db2.gz YHIHVAMZFACKOA-JCNLHEQBSA-N 1 0 380.330 2.449 20 0 GEADRO CSc1cccc(S(=O)(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000509201435 650489579 /nfs/dbraw/zinc/48/95/79/650489579.db2.gz DRQQDATWPUTIIX-OAHLLOKOSA-N 1 0 383.583 2.198 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000462863924 650491736 /nfs/dbraw/zinc/49/17/36/650491736.db2.gz UZRGVNAUFJOCKN-CQSZACIVSA-N 1 0 398.301 2.161 20 0 GEADRO Cn1ncc(NCC2([NH+](C)C)Cc3ccccc3C2)c(Br)c1=O ZINC000462869076 650491842 /nfs/dbraw/zinc/49/18/42/650491842.db2.gz DXFLHFPBKCPPAP-UHFFFAOYSA-N 1 0 377.286 2.054 20 0 GEADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Br)c2c(c1)OCCO2 ZINC000462891229 650492110 /nfs/dbraw/zinc/49/21/10/650492110.db2.gz ZWXRATQCXPLSDY-GXTWGEPZSA-N 1 0 381.270 2.338 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCCC1)c1ccc(Br)cc1OCCCO ZINC000463357660 650493964 /nfs/dbraw/zinc/49/39/64/650493964.db2.gz BWUVESQMCDMYAE-ZDUSSCGKSA-N 1 0 385.302 2.483 20 0 GEADRO Cn1cc(-c2ccc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)s2)cn1 ZINC000509525290 650495368 /nfs/dbraw/zinc/49/53/68/650495368.db2.gz HFJSROCPQWVYDZ-UHFFFAOYSA-N 1 0 376.507 2.128 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000465656907 650498670 /nfs/dbraw/zinc/49/86/70/650498670.db2.gz JBLRLSQWSOXACF-BXUZGUMPSA-N 1 0 383.290 2.170 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)s1 ZINC000468662311 650506003 /nfs/dbraw/zinc/50/60/03/650506003.db2.gz NRPHYTFAMOTDQN-CQSZACIVSA-N 1 0 385.555 2.215 20 0 GEADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000510366137 650510811 /nfs/dbraw/zinc/51/08/11/650510811.db2.gz DPSMBMVPPDSDKC-IMJJTQAJSA-N 1 0 389.587 2.211 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000510489087 650512223 /nfs/dbraw/zinc/51/22/23/650512223.db2.gz MGTYKRMQIMYXDA-OAHLLOKOSA-N 1 0 380.432 2.216 20 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/nfs/dbraw/zinc/52/68/75/650526875.db2.gz QZASECYZJVCMLS-OAHLLOKOSA-N 1 0 380.432 2.484 20 0 GEADRO COc1ccc2nc(CN3CCC[C@H](CN(C)S(C)(=O)=O)C3)sc2c1 ZINC000511126269 650527422 /nfs/dbraw/zinc/52/74/22/650527422.db2.gz OPMRNUVYSOHWOM-CYBMUJFWSA-N 1 0 383.539 2.408 20 0 GEADRO C[NH+](C)C[C@@H]1CN(Cc2c(F)ccc(I)c2F)CCO1 ZINC000474105632 650527535 /nfs/dbraw/zinc/52/75/35/650527535.db2.gz LGCMVGKKPMSLKM-SNVBAGLBSA-N 1 0 396.219 2.332 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(Br)o2)C[C@@H]1C ZINC000474117475 650528362 /nfs/dbraw/zinc/52/83/62/650528362.db2.gz XWLBTDNIUAQTHQ-NWDGAFQWSA-N 1 0 386.290 2.103 20 0 GEADRO NS(=O)(=O)CCN1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000474259438 650528995 /nfs/dbraw/zinc/52/89/95/650528995.db2.gz PKXWOEDMDHJHPW-UHFFFAOYSA-N 1 0 394.368 2.222 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000475265795 650530396 /nfs/dbraw/zinc/53/03/96/650530396.db2.gz BRIDOFLFHPZKMT-QWRGUYRKSA-N 1 0 386.265 2.434 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Br)c(=O)[nH]c1C ZINC000511418013 650536690 /nfs/dbraw/zinc/53/66/90/650536690.db2.gz ZGMQUNISZIWKBK-UHFFFAOYSA-N 1 0 388.306 2.289 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc2[nH]ccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000476485240 650551276 /nfs/dbraw/zinc/55/12/76/650551276.db2.gz FHMVHWMDGIDLNH-CYBMUJFWSA-N 1 0 383.539 2.201 20 0 GEADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512364554 650546803 /nfs/dbraw/zinc/54/68/03/650546803.db2.gz IFNOJGYILSEUHJ-CQSZACIVSA-N 1 0 385.295 2.147 20 0 GEADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cs1 ZINC000512834519 650555256 /nfs/dbraw/zinc/55/52/56/650555256.db2.gz SFGUNOAKMJJBPT-HDEZJCGLSA-N 1 0 389.562 2.309 20 0 GEADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cs1 ZINC000512834521 650555259 /nfs/dbraw/zinc/55/52/59/650555259.db2.gz SFGUNOAKMJJBPT-OTRWWLKZSA-N 1 0 389.562 2.309 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1OC(F)F ZINC000512972403 650555912 /nfs/dbraw/zinc/55/59/12/650555912.db2.gz SGMODLPEQIUWLJ-CYBMUJFWSA-N 1 0 378.441 2.200 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000513026928 650556783 /nfs/dbraw/zinc/55/67/83/650556783.db2.gz HILCLRWLCVUBTA-ZDUSSCGKSA-N 1 0 391.331 2.361 20 0 GEADRO COC(=O)C[C@](C)([NH2+]CCN1CCCC1=O)c1ccc(Br)cc1 ZINC000513128852 650558068 /nfs/dbraw/zinc/55/80/68/650558068.db2.gz TYCDNJOHYTXVER-KRWDZBQOSA-N 1 0 383.286 2.439 20 0 GEADRO C[C@@H]1CN(C(=O)COc2ccc(I)cc2)C[C@H](C)[N@H+]1C ZINC000513223135 650559979 /nfs/dbraw/zinc/55/99/79/650559979.db2.gz KPNMZPZDYVOSSJ-TXEJJXNPSA-N 1 0 388.249 2.221 20 0 GEADRO O=C(Cn1cc(Br)cn1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513274073 650560739 /nfs/dbraw/zinc/56/07/39/650560739.db2.gz PBADFKMYQRHCGQ-INIZCTEOSA-N 1 0 377.286 2.426 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000477003447 650565554 /nfs/dbraw/zinc/56/55/54/650565554.db2.gz ASJWMXCTNPSHNI-OLZOCXBDSA-N 1 0 384.318 2.473 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000477112189 650569141 /nfs/dbraw/zinc/56/91/41/650569141.db2.gz ZXKRRVLZRFQPKI-CYBMUJFWSA-N 1 0 396.329 2.180 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000477123241 650569380 /nfs/dbraw/zinc/56/93/80/650569380.db2.gz WCEZVTQIERYTIP-KBPBESRZSA-N 1 0 380.457 2.304 20 0 GEADRO CC[N@H+](CCOC)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000514106559 650573422 /nfs/dbraw/zinc/57/34/22/650573422.db2.gz ZKAOAYVRSXZXOJ-UHFFFAOYSA-N 1 0 375.300 2.005 20 0 GEADRO COC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000514142777 650573929 /nfs/dbraw/zinc/57/39/29/650573929.db2.gz WOTHCQHYKKGKAY-WFASDCNBSA-N 1 0 380.432 2.264 20 0 GEADRO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1I ZINC000477451489 650574103 /nfs/dbraw/zinc/57/41/03/650574103.db2.gz JUXWVOKPRYGMSF-LLVKDONJSA-N 1 0 386.233 2.266 20 0 GEADRO CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000514949336 650584305 /nfs/dbraw/zinc/58/43/05/650584305.db2.gz IPNCVHSGCFHXOC-ZACQAIPSSA-N 1 0 388.599 2.018 20 0 GEADRO C[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(Br)cn1 ZINC000515106932 650586916 /nfs/dbraw/zinc/58/69/16/650586916.db2.gz CMZCMRDFUWSNRH-CQSZACIVSA-N 1 0 391.317 2.107 20 0 GEADRO CSC1(CNC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)CC[NH+](C)CC1 ZINC000515716037 650593438 /nfs/dbraw/zinc/59/34/38/650593438.db2.gz BYMVLFMBQDJGOZ-GFCCVEGCSA-N 1 0 379.452 2.150 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000515714553 650593606 /nfs/dbraw/zinc/59/36/06/650593606.db2.gz WALXPNWYXWQAAV-LLVKDONJSA-N 1 0 390.347 2.316 20 0 GEADRO O=C(CSCC1CC[NH2+]CC1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000515839203 650594633 /nfs/dbraw/zinc/59/46/33/650594633.db2.gz CHHDTHRFSPMEPL-KRWDZBQOSA-N 1 0 388.599 2.068 20 0 GEADRO CN(C(=O)C(=O)NCCc1c(Cl)cccc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000479049694 650595011 /nfs/dbraw/zinc/59/50/11/650595011.db2.gz PJEXSNATAKYHSF-CYBMUJFWSA-N 1 0 384.307 2.347 20 0 GEADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000479081326 650595834 /nfs/dbraw/zinc/59/58/34/650595834.db2.gz XJJLMWNASHILSZ-MLGOLLRUSA-N 1 0 386.323 2.497 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)C1CCCCC1 ZINC000516660932 650599644 /nfs/dbraw/zinc/59/96/44/650599644.db2.gz HYPZFRDDTUJPLK-HNNXBMFYSA-N 1 0 387.933 2.228 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000516366942 650596747 /nfs/dbraw/zinc/59/67/47/650596747.db2.gz KLZRXPYHCIOJQW-LLVKDONJSA-N 1 0 376.320 2.309 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000516514739 650597749 /nfs/dbraw/zinc/59/77/49/650597749.db2.gz BLNQZMZCXDCBDO-ZDUSSCGKSA-N 1 0 382.452 2.210 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000516530706 650598451 /nfs/dbraw/zinc/59/84/51/650598451.db2.gz QNQYEHHEWULRDC-OWCLPIDISA-N 1 0 382.302 2.325 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000516555227 650598733 /nfs/dbraw/zinc/59/87/33/650598733.db2.gz QWAXEUWBOKRQQP-CQSZACIVSA-N 1 0 386.265 2.251 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1ccc(F)c(I)c1 ZINC000479333879 650601541 /nfs/dbraw/zinc/60/15/41/650601541.db2.gz HDJOWFOPEVIONB-UHFFFAOYSA-N 1 0 385.180 2.089 20 0 GEADRO CN(CC(=O)NCC[N@@H+]1CCCC1(C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000517014450 650601678 /nfs/dbraw/zinc/60/16/78/650601678.db2.gz XXEHWXUCSOTWTQ-UHFFFAOYSA-N 1 0 393.962 2.013 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479387893 650602380 /nfs/dbraw/zinc/60/23/80/650602380.db2.gz JMSPKMITLWPSGH-ZUZCIYMTSA-N 1 0 397.324 2.081 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000518188023 650602571 /nfs/dbraw/zinc/60/25/71/650602571.db2.gz BLHIRILDMIQRTO-CYBMUJFWSA-N 1 0 399.925 2.144 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479407993 650603015 /nfs/dbraw/zinc/60/30/15/650603015.db2.gz KHFBEONSHHOCAU-KKFJDGPESA-N 1 0 394.324 2.206 20 0 GEADRO CSc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000479413672 650603018 /nfs/dbraw/zinc/60/30/18/650603018.db2.gz VPIVDTOWZARWDB-YJBOKZPZSA-N 1 0 383.583 2.055 20 0 GEADRO C[C@@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)[NH+]1CC(C)C1 ZINC000518233057 650603041 /nfs/dbraw/zinc/60/30/41/650603041.db2.gz ISUKUOFITFJKSS-ZDUSSCGKSA-N 1 0 386.359 2.495 20 0 GEADRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000518711437 650606835 /nfs/dbraw/zinc/60/68/35/650606835.db2.gz XOEUISREVYAMKK-ZDUSSCGKSA-N 1 0 398.301 2.456 20 0 GEADRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000518758065 650607242 /nfs/dbraw/zinc/60/72/42/650607242.db2.gz QJFWFRJDRNXXDA-BYCMXARLSA-N 1 0 380.286 2.377 20 0 GEADRO COc1ccc(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)cc1Br ZINC000479603089 650607264 /nfs/dbraw/zinc/60/72/64/650607264.db2.gz JWHZJDYTELCZTC-UHFFFAOYSA-N 1 0 396.285 2.412 20 0 GEADRO C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000518769438 650607496 /nfs/dbraw/zinc/60/74/96/650607496.db2.gz VHTRUUBVHAQXLM-NWDGAFQWSA-N 1 0 382.302 2.153 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)[N@H+](C)C1CC1 ZINC000519610614 650609753 /nfs/dbraw/zinc/60/97/53/650609753.db2.gz RGWAITNSJDSDFK-YGRLFVJLSA-N 1 0 380.286 2.474 20 0 GEADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000519698375 650610664 /nfs/dbraw/zinc/61/06/64/650610664.db2.gz GGXUORFMOQTLMH-ZBFHGGJFSA-N 1 0 385.302 2.037 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000519695490 650610778 /nfs/dbraw/zinc/61/07/78/650610778.db2.gz ZDDDJGCHNAUZBK-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000520588031 650615081 /nfs/dbraw/zinc/61/50/81/650615081.db2.gz BVVIWRIOFBMMTG-SJLPKXTDSA-N 1 0 378.314 2.093 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)NCCC(=O)N(C)Cc2ccccc2Br)C1 ZINC000520605609 650615206 /nfs/dbraw/zinc/61/52/06/650615206.db2.gz CHGXXPSMEQHTKM-CQSZACIVSA-N 1 0 396.329 2.256 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000520753552 650616220 /nfs/dbraw/zinc/61/62/20/650616220.db2.gz ASSLFTJTRNXSIN-CYBMUJFWSA-N 1 0 379.810 2.470 20 0 GEADRO C[C@H](CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[S@@](C)=O ZINC000480187344 650617372 /nfs/dbraw/zinc/61/73/72/650617372.db2.gz BTEYSOGJDLYNAP-LITPITGPSA-N 1 0 394.356 2.414 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000521440374 650617527 /nfs/dbraw/zinc/61/75/27/650617527.db2.gz ZVSZYIZDQGQNGC-INIZCTEOSA-N 1 0 381.314 2.442 20 0 GEADRO Cc1nccn1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480257160 650618537 /nfs/dbraw/zinc/61/85/37/650618537.db2.gz QJDJNYHFGJWWDV-CQSZACIVSA-N 1 0 384.299 2.462 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480277952 650618744 /nfs/dbraw/zinc/61/87/44/650618744.db2.gz LEYMJLPEGPSZFX-HNNXBMFYSA-N 1 0 387.347 2.077 20 0 GEADRO COc1ccc(CC[NH2+]Cc2ccc(Br)o2)cc1S(N)(=O)=O ZINC000480308981 650619687 /nfs/dbraw/zinc/61/96/87/650619687.db2.gz JLGKAQJMVMUJBM-UHFFFAOYSA-N 1 0 389.271 2.030 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000521993975 650621401 /nfs/dbraw/zinc/62/14/01/650621401.db2.gz IWUGDNMGYGXWGM-KRWDZBQOSA-N 1 0 382.302 2.056 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000522167656 650623209 /nfs/dbraw/zinc/62/32/09/650623209.db2.gz VKDUIXGRAABHFZ-NSHDSACASA-N 1 0 388.331 2.087 20 0 GEADRO Cn1ccc(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)n1 ZINC000480659682 650626955 /nfs/dbraw/zinc/62/69/55/650626955.db2.gz DKXIWXMEJWJLJC-CQSZACIVSA-N 1 0 384.299 2.233 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000480643056 650626434 /nfs/dbraw/zinc/62/64/34/650626434.db2.gz KZFDSISYBVLIGE-MNOVXSKESA-N 1 0 377.304 2.219 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000480643060 650626459 /nfs/dbraw/zinc/62/64/59/650626459.db2.gz KZFDSISYBVLIGE-WDEREUQCSA-N 1 0 377.304 2.219 20 0 GEADRO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000523684036 650637012 /nfs/dbraw/zinc/63/70/12/650637012.db2.gz YVBZBDCIWCXJIR-XYPHTWIQSA-N 1 0 380.330 2.305 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000480999153 650639610 /nfs/dbraw/zinc/63/96/10/650639610.db2.gz ALCNWFRZMBNNNB-KRWDZBQOSA-N 1 0 375.579 2.224 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(Br)c(F)c2)CCSC1 ZINC000481391465 650645893 /nfs/dbraw/zinc/64/58/93/650645893.db2.gz HUMLZNSMDYCVCC-CYBMUJFWSA-N 1 0 397.335 2.304 20 0 GEADRO CS[C@H](CO)[C@H](C)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000524801200 650646526 /nfs/dbraw/zinc/64/65/26/650646526.db2.gz DIYBWMXXYYMDPA-LSDHHAIUSA-N 1 0 375.604 2.150 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[NH+]1CCCC1 ZINC000525268535 650652702 /nfs/dbraw/zinc/65/27/02/650652702.db2.gz LIOINFVXEIYXDA-SECBINFHSA-N 1 0 390.228 2.266 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000525674576 650655758 /nfs/dbraw/zinc/65/57/58/650655758.db2.gz ZQXHISQHAJOJAI-OAHLLOKOSA-N 1 0 398.345 2.360 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)N1CCCCCC1 ZINC000482140924 650660934 /nfs/dbraw/zinc/66/09/34/650660934.db2.gz LDRRTYAHLLOZHK-UHFFFAOYSA-N 1 0 375.604 2.449 20 0 GEADRO CC[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481992003 650657919 /nfs/dbraw/zinc/65/79/19/650657919.db2.gz MSAAFJSLTCSMKS-CVEARBPZSA-N 1 0 390.933 2.076 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000482357505 650664643 /nfs/dbraw/zinc/66/46/43/650664643.db2.gz BGSIXPSGOUNMPQ-HNNXBMFYSA-N 1 0 386.721 2.451 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000482602160 650665622 /nfs/dbraw/zinc/66/56/22/650665622.db2.gz GQQCDBZRDKMKLY-GUYCJALGSA-N 1 0 383.323 2.078 20 0 GEADRO Cc1nccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000527089263 650669060 /nfs/dbraw/zinc/66/90/60/650669060.db2.gz LBXXCOBJHXNABW-CYBMUJFWSA-N 1 0 397.317 2.197 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000527167194 650669994 /nfs/dbraw/zinc/66/99/94/650669994.db2.gz OUPAKQBXFSYJMU-CQSZACIVSA-N 1 0 386.338 2.455 20 0 GEADRO CN(CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)CC(F)(F)F ZINC000482911639 650670700 /nfs/dbraw/zinc/67/07/00/650670700.db2.gz RXTZEXVFZIFAGH-UHFFFAOYSA-N 1 0 375.460 2.459 20 0 GEADRO Cc1nccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1Br ZINC000527338819 650673998 /nfs/dbraw/zinc/67/39/98/650673998.db2.gz FECDFYHEJGRPMM-UHFFFAOYSA-N 1 0 398.349 2.112 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cnn(CCC(F)(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000483393859 650678208 /nfs/dbraw/zinc/67/82/08/650678208.db2.gz KLUJWPFYQQOBLX-ZIAGYGMSSA-N 1 0 376.448 2.487 20 0 GEADRO CCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000527558327 650678240 /nfs/dbraw/zinc/67/82/40/650678240.db2.gz PWAMPNNNEOBSKR-UHFFFAOYSA-N 1 0 393.289 2.029 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483421725 650678331 /nfs/dbraw/zinc/67/83/31/650678331.db2.gz VLAVDDKYPXKHAP-HOTGVXAUSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cn1 ZINC000527956677 650683515 /nfs/dbraw/zinc/68/35/15/650683515.db2.gz RAPSYBLXIHXKIB-CXAGYDPISA-N 1 0 384.318 2.111 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000527754732 650682479 /nfs/dbraw/zinc/68/24/79/650682479.db2.gz QHGAERNWZGFDTL-KRWDZBQOSA-N 1 0 387.293 2.294 20 0 GEADRO O[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@@H]1CCCO1 ZINC000527754648 650682486 /nfs/dbraw/zinc/68/24/86/650682486.db2.gz FHHYLVCTUWFNCR-RYUDHWBXSA-N 1 0 383.176 2.199 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527757572 650682659 /nfs/dbraw/zinc/68/26/59/650682659.db2.gz KKYPWGQZNQXNDF-WBVHZDCISA-N 1 0 388.302 2.494 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000484620463 650687840 /nfs/dbraw/zinc/68/78/40/650687840.db2.gz PECXMLPQZWLKDY-DIOULYMOSA-N 1 0 382.302 2.212 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528337420 650689121 /nfs/dbraw/zinc/68/91/21/650689121.db2.gz XKMBCUCRXVQHHH-WDEREUQCSA-N 1 0 382.404 2.355 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@]3(C)Br)cn2)CC1 ZINC000528015176 650684295 /nfs/dbraw/zinc/68/42/95/650684295.db2.gz HXXHXLJQWCFTJF-PBHICJAKSA-N 1 0 381.318 2.013 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000484027261 650684446 /nfs/dbraw/zinc/68/44/46/650684446.db2.gz PSVYDUAKZMUVIV-HIFRSBDPSA-N 1 0 385.302 2.179 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000484973743 650691526 /nfs/dbraw/zinc/69/15/26/650691526.db2.gz ZQQLVDXHUVWQFV-MAZHCROVSA-N 1 0 394.313 2.310 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000528385490 650691996 /nfs/dbraw/zinc/69/19/96/650691996.db2.gz ADSXVYQUQWLFTE-UHFFFAOYSA-N 1 0 382.404 2.356 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000485116907 650693499 /nfs/dbraw/zinc/69/34/99/650693499.db2.gz MVUBDNYZVAMBOB-UHFFFAOYSA-N 1 0 385.302 2.397 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000485194493 650694208 /nfs/dbraw/zinc/69/42/08/650694208.db2.gz IAXIUBSAKMFYDX-JSGCOSHPSA-N 1 0 385.917 2.261 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000528464792 650694544 /nfs/dbraw/zinc/69/45/44/650694544.db2.gz GBQCFDREFINWDD-MRXNPFEDSA-N 1 0 396.329 2.397 20 0 GEADRO C[NH+](C)CCN(C(=O)COc1ccc(I)cc1)C1CC1 ZINC000485274218 650694669 /nfs/dbraw/zinc/69/46/69/650694669.db2.gz LRSZLEVSXLLGNR-UHFFFAOYSA-N 1 0 388.249 2.223 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1 ZINC000485423027 650696267 /nfs/dbraw/zinc/69/62/67/650696267.db2.gz RNCQJZXNNAQTDM-UHFFFAOYSA-N 1 0 375.828 2.356 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CCN2C2CCCC2)s1 ZINC000528554384 650696671 /nfs/dbraw/zinc/69/66/71/650696671.db2.gz UGJMLUHTQIMEHW-WFASDCNBSA-N 1 0 385.555 2.240 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Cl)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000528664460 650697458 /nfs/dbraw/zinc/69/74/58/650697458.db2.gz WPJFNSQDWACGDT-UHFFFAOYSA-N 1 0 386.283 2.168 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000485685949 650699017 /nfs/dbraw/zinc/69/90/17/650699017.db2.gz HUESBQJRJVZXEE-XJKSGUPXSA-N 1 0 388.258 2.088 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000485685938 650699055 /nfs/dbraw/zinc/69/90/55/650699055.db2.gz HUESBQJRJVZXEE-BBRMVZONSA-N 1 0 388.258 2.088 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCCNc1cc[nH+]cc1 ZINC000485708848 650699283 /nfs/dbraw/zinc/69/92/83/650699283.db2.gz NGRVXJCCUKPTAB-UHFFFAOYSA-N 1 0 392.253 2.076 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000485721648 650699368 /nfs/dbraw/zinc/69/93/68/650699368.db2.gz AXKWTOYNLQTBEF-HOTGVXAUSA-N 1 0 386.286 2.294 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)s1 ZINC000485767605 650700164 /nfs/dbraw/zinc/70/01/64/650700164.db2.gz DWGIIHQZWTYDTL-UHFFFAOYSA-N 1 0 387.571 2.127 20 0 GEADRO O=C(CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Nc1cc(Cl)ccc1Cl ZINC000485783965 650700218 /nfs/dbraw/zinc/70/02/18/650700218.db2.gz LHAZMVXYXIHCHM-VIFPVBQESA-N 1 0 382.251 2.162 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000529056841 650701069 /nfs/dbraw/zinc/70/10/69/650701069.db2.gz AEMJIPKMXMCSQE-LBPRGKRZSA-N 1 0 383.290 2.286 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529318943 650702729 /nfs/dbraw/zinc/70/27/29/650702729.db2.gz ATZDUTARUVRJRI-CQSZACIVSA-N 1 0 380.286 2.468 20 0 GEADRO C[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)c1cc(F)c(Br)cc1F ZINC000529349393 650703525 /nfs/dbraw/zinc/70/35/25/650703525.db2.gz KLNQUIGINZPBRT-IUCAKERBSA-N 1 0 378.217 2.157 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c(F)cc1F ZINC000486207064 650708997 /nfs/dbraw/zinc/70/89/97/650708997.db2.gz YFRMAPOYMKTHQK-GHMZBOCLSA-N 1 0 375.441 2.253 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000529913182 650709267 /nfs/dbraw/zinc/70/92/67/650709267.db2.gz GYIBEZUDQARAEC-UHFFFAOYSA-N 1 0 397.317 2.377 20 0 GEADRO O=C(NC1(c2cccc(Br)c2)CCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000486654538 650717883 /nfs/dbraw/zinc/71/78/83/650717883.db2.gz RQJNLLIQFRJMOB-MRXNPFEDSA-N 1 0 378.314 2.334 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(Br)c(F)c2F)C1 ZINC000530213029 650718323 /nfs/dbraw/zinc/71/83/23/650718323.db2.gz UDSWGELTVZBZQP-NSHDSACASA-N 1 0 376.245 2.014 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1COCCN1 ZINC000530246524 650719418 /nfs/dbraw/zinc/71/94/18/650719418.db2.gz IQNXRIHCJJCUCO-OAHLLOKOSA-N 1 0 379.302 2.330 20 0 GEADRO CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000486806299 650722564 /nfs/dbraw/zinc/72/25/64/650722564.db2.gz XMXCSSQGOGCBMG-CQSZACIVSA-N 1 0 394.313 2.356 20 0 GEADRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000530544983 650726171 /nfs/dbraw/zinc/72/61/71/650726171.db2.gz QWXHIHIJJMGJCW-ZDUSSCGKSA-N 1 0 387.933 2.479 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000530644161 650728821 /nfs/dbraw/zinc/72/88/21/650728821.db2.gz BVOIWRWNFHBZPH-LBPRGKRZSA-N 1 0 385.306 2.232 20 0 GEADRO COc1cc(C[C@@H](CO)C[NH2+]Cc2c(Br)cnn2C)cc(OC)c1 ZINC000487300197 650732479 /nfs/dbraw/zinc/73/24/79/650732479.db2.gz VOERLHJSIGPGRR-CYBMUJFWSA-N 1 0 398.301 2.141 20 0 GEADRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531066712 650734329 /nfs/dbraw/zinc/73/43/29/650734329.db2.gz WMNGEPCTTRWUQM-VBNZEHGJSA-N 1 0 389.949 2.023 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)CCN2C(=O)CSc3ccccc32)CCSC1 ZINC000531362630 650737434 /nfs/dbraw/zinc/73/74/34/650737434.db2.gz MWYWHHOLKFGEJL-SFHVURJKSA-N 1 0 379.551 2.069 20 0 GEADRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000487786388 650737984 /nfs/dbraw/zinc/73/79/84/650737984.db2.gz CDERRMJXLHYTRN-KRWDZBQOSA-N 1 0 396.329 2.066 20 0 GEADRO C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000487911595 650739237 /nfs/dbraw/zinc/73/92/37/650739237.db2.gz LUAOQPLINWUGTL-KBPBESRZSA-N 1 0 396.329 2.416 20 0 GEADRO CC[NH+]1CCC(NC(=O)NCC(=O)Nc2cccc(Br)c2)CC1 ZINC000487931644 650739912 /nfs/dbraw/zinc/73/99/12/650739912.db2.gz FLBOYSKYMKCRGD-UHFFFAOYSA-N 1 0 383.290 2.171 20 0 GEADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=S)NCCC[NH+](C)C ZINC000007381604 642338807 /nfs/dbraw/zinc/33/88/07/642338807.db2.gz JBZXCYIJQPKFKI-ZDUSSCGKSA-N 1 0 386.949 2.171 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000007408803 642339204 /nfs/dbraw/zinc/33/92/04/642339204.db2.gz XJMAKBZGMNFHMN-HNNXBMFYSA-N 1 0 381.523 2.031 20 0 GEADRO CSc1ccccc1NC(=O)CN(C)C(=O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000488226448 650742761 /nfs/dbraw/zinc/74/27/61/650742761.db2.gz UZFDFEGZNPCXGJ-AWEZNQCLSA-N 1 0 381.567 2.490 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000531684890 650742824 /nfs/dbraw/zinc/74/28/24/650742824.db2.gz FAJYAKDBKOMZJT-CQSZACIVSA-N 1 0 381.519 2.486 20 0 GEADRO C[C@H](CNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[N@H+](C)C1CC1 ZINC000488824708 650751362 /nfs/dbraw/zinc/75/13/62/650751362.db2.gz XXZBPMLFHIQPJF-MEBBXXQBSA-N 1 0 388.281 2.404 20 0 GEADRO COc1ccc(Br)cc1CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532127578 650745096 /nfs/dbraw/zinc/74/50/96/650745096.db2.gz FUABXRSZEHNAGV-UHFFFAOYSA-N 1 0 384.318 2.054 20 0 GEADRO CC[NH+](CC)CCN(C(=S)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000011047074 642366132 /nfs/dbraw/zinc/36/61/32/642366132.db2.gz USYDCNMYHJUGFU-INIZCTEOSA-N 1 0 387.546 2.353 20 0 GEADRO Nc1cc(N)[nH+]c(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1 ZINC000011770209 642370860 /nfs/dbraw/zinc/37/08/60/642370860.db2.gz AJGGDGLLVBRJSO-UHFFFAOYSA-N 1 0 381.845 2.187 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@@H]21 ZINC000532649689 650751649 /nfs/dbraw/zinc/75/16/49/650751649.db2.gz CCBKBFDDFUJFND-CJNGLKHVSA-N 1 0 391.313 2.373 20 0 GEADRO CCOC(=O)Cc1csc(SCC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000023755520 642413203 /nfs/dbraw/zinc/41/32/03/642413203.db2.gz IWJIQBTZXYPXGP-UHFFFAOYSA-N 1 0 383.539 2.084 20 0 GEADRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000532532669 650749705 /nfs/dbraw/zinc/74/97/05/650749705.db2.gz UOVFRQCZYVAONO-CQSZACIVSA-N 1 0 384.293 2.184 20 0 GEADRO COCC[N@H+](C)CCNC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000488655784 650749979 /nfs/dbraw/zinc/74/99/79/650749979.db2.gz MDKWLPUALFEIJH-UHFFFAOYSA-N 1 0 384.318 2.402 20 0 GEADRO CC[N@H+](CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)C1CC1 ZINC000488655974 650750468 /nfs/dbraw/zinc/75/04/68/650750468.db2.gz KBLVMLVVDVPDCJ-OAHLLOKOSA-N 1 0 388.281 2.405 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000028506850 642450742 /nfs/dbraw/zinc/45/07/42/642450742.db2.gz YHAQZMIYMLHQLD-UHFFFAOYSA-N 1 0 376.400 2.337 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000489160443 650755419 /nfs/dbraw/zinc/75/54/19/650755419.db2.gz ZLCKHZBJADOCTH-ABAIWWIYSA-N 1 0 382.302 2.024 20 0 GEADRO COc1cc2c(cc1C[NH2+]CCNS(=O)(=O)c1cccs1)O[C@@H](C)C2 ZINC000533007602 650755581 /nfs/dbraw/zinc/75/55/81/650755581.db2.gz QYGFWUVAMFESNZ-LBPRGKRZSA-N 1 0 382.507 2.148 20 0 GEADRO COCC[N@H+](C[C@H](O)COc1cccc(Br)c1)[C@H]1CCO[C@H]1C ZINC000489448095 650759251 /nfs/dbraw/zinc/75/92/51/650759251.db2.gz JYSHYOXDWZVMSB-QRTARXTBSA-N 1 0 388.302 2.315 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 ZINC000029952267 642471939 /nfs/dbraw/zinc/47/19/39/642471939.db2.gz NRDSTODQNLRTEZ-UHFFFAOYSA-N 1 0 381.523 2.154 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000489350892 650757938 /nfs/dbraw/zinc/75/79/38/650757938.db2.gz ANEPLBZOYQXZKG-IAGOWNOFSA-N 1 0 398.345 2.408 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000533717750 650764834 /nfs/dbraw/zinc/76/48/34/650764834.db2.gz JIQAEDVSKOWSNX-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1Br ZINC000040446194 642524286 /nfs/dbraw/zinc/52/42/86/642524286.db2.gz FLXNMQNECGOADY-CHWSQXEVSA-N 1 0 377.279 2.493 20 0 GEADRO CC[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000489911468 650765414 /nfs/dbraw/zinc/76/54/14/650765414.db2.gz SLVSAZFIMQGYDP-AWEZNQCLSA-N 1 0 378.922 2.076 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000041324263 642528894 /nfs/dbraw/zinc/52/88/94/642528894.db2.gz XNCAPLYJLWDPIV-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000041362942 642529498 /nfs/dbraw/zinc/52/94/98/642529498.db2.gz OAAKWAOXJMQMJW-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000041324267 642529646 /nfs/dbraw/zinc/52/96/46/642529646.db2.gz LRLYDZMEQTUREK-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO CN(C(=O)c1ccc(Br)cc1-n1cncn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000533948823 650767653 /nfs/dbraw/zinc/76/76/53/650767653.db2.gz KPMFETOLDBHRTR-CQSZACIVSA-N 1 0 390.285 2.339 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000041892231 642535155 /nfs/dbraw/zinc/53/51/55/642535155.db2.gz GOJUKWPGYXMZMJ-LBPRGKRZSA-N 1 0 380.286 2.297 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000041927474 642536292 /nfs/dbraw/zinc/53/62/92/642536292.db2.gz PDKRIBRPQOWTJD-UHFFFAOYSA-N 1 0 375.922 2.050 20 0 GEADRO O=C(Cn1ccc(C(F)(F)F)n1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000041967886 642537431 /nfs/dbraw/zinc/53/74/31/642537431.db2.gz JHSJFHVSTKLFAI-UHFFFAOYSA-N 1 0 376.448 2.380 20 0 GEADRO O=S(=O)(c1c(Cl)ccc2ccccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000490067932 650767586 /nfs/dbraw/zinc/76/75/86/650767586.db2.gz PYLBSQQRIVPRAH-HNNXBMFYSA-N 1 0 379.913 2.161 20 0 GEADRO Cc1cccc(Cl)c1CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000490021455 650766569 /nfs/dbraw/zinc/76/65/69/650766569.db2.gz CIDUTRIYCBMARB-OAHLLOKOSA-N 1 0 386.945 2.158 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490027540 650766772 /nfs/dbraw/zinc/76/67/72/650766772.db2.gz AZNVLSBDQOKUFA-JTQLQIEISA-N 1 0 379.320 2.242 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490043238 650766882 /nfs/dbraw/zinc/76/68/82/650766882.db2.gz BDVIJFWIECSVNG-QWHCGFSZSA-N 1 0 378.922 2.230 20 0 GEADRO CC(C)(O)C[N@H+](CC(=O)Nc1ccc(Br)cn1)C1CCOCC1 ZINC000533344912 650760267 /nfs/dbraw/zinc/76/02/67/650760267.db2.gz JDBZFMWWKZGIEO-UHFFFAOYSA-N 1 0 386.290 2.035 20 0 GEADRO C[N@@H+]1CCCN(c2ccc(CNC(=S)NCc3cccs3)cn2)CC1 ZINC000044230101 642571345 /nfs/dbraw/zinc/57/13/45/642571345.db2.gz ILEDTVJFKPCYJW-UHFFFAOYSA-N 1 0 375.567 2.449 20 0 GEADRO C[NH+](C)CC(C)(C)CN1C(=O)c2cc(Br)ccc2S1(=O)=O ZINC000044644971 642580926 /nfs/dbraw/zinc/58/09/26/642580926.db2.gz DHLHFFUSWLNMKG-UHFFFAOYSA-N 1 0 375.288 2.181 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(OC)ccc1Cl ZINC000489799573 650763756 /nfs/dbraw/zinc/76/37/56/650763756.db2.gz KCMBYWGEJXPRBM-UHFFFAOYSA-N 1 0 378.922 2.328 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2F)C[C@@H]1[NH+](C)C ZINC000534172196 650770110 /nfs/dbraw/zinc/77/01/10/650770110.db2.gz RDHPRLTXGAITEA-NWDGAFQWSA-N 1 0 397.335 2.254 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)C[C@H]1[NH+](C)C ZINC000534171036 650770150 /nfs/dbraw/zinc/77/01/50/650770150.db2.gz JETUCVNSXHKKKN-VCTAVGKDSA-N 1 0 390.958 2.330 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1cccs1 ZINC000047872390 642640797 /nfs/dbraw/zinc/64/07/97/642640797.db2.gz YAYANWKSQWSRFQ-CYBMUJFWSA-N 1 0 387.914 2.082 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000048106485 642644436 /nfs/dbraw/zinc/64/44/36/642644436.db2.gz ZAHZTQVLKVNLDS-OAHLLOKOSA-N 1 0 387.571 2.138 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1ccc(F)cc1I ZINC000048217955 642647151 /nfs/dbraw/zinc/64/71/51/642647151.db2.gz BXEFAPFHYGIVNM-UHFFFAOYSA-N 1 0 394.228 2.128 20 0 GEADRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 ZINC000048666224 642658692 /nfs/dbraw/zinc/65/86/92/642658692.db2.gz YKHNUEPVPFKVIY-UHFFFAOYSA-N 1 0 394.278 2.006 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000049994689 642674230 /nfs/dbraw/zinc/67/42/30/642674230.db2.gz AIHGFPZTHFJTPZ-GFCCVEGCSA-N 1 0 399.563 2.099 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000049994125 642674367 /nfs/dbraw/zinc/67/43/67/642674367.db2.gz UAUTVHZANJPMTJ-AWEZNQCLSA-N 1 0 395.297 2.460 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000051283384 642693349 /nfs/dbraw/zinc/69/33/49/642693349.db2.gz BNOCZGGKIARIJA-INIZCTEOSA-N 1 0 394.313 2.403 20 0 GEADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cncc(Br)c1)Cc1ccccc1 ZINC000534522907 650776835 /nfs/dbraw/zinc/77/68/35/650776835.db2.gz CTXMHRJSPMALNL-OAHLLOKOSA-N 1 0 398.326 2.295 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CSCC[NH+](C)C)ccc1C ZINC000534519736 650776995 /nfs/dbraw/zinc/77/69/95/650776995.db2.gz QVGMVIPMWWESJY-UHFFFAOYSA-N 1 0 387.571 2.259 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000490611791 650777245 /nfs/dbraw/zinc/77/72/45/650777245.db2.gz SUKYZIDDSUYXCG-YOEHRIQHSA-N 1 0 384.307 2.363 20 0 GEADRO CN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000534588696 650778203 /nfs/dbraw/zinc/77/82/03/650778203.db2.gz STOZLXYRMLVWPM-BBRMVZONSA-N 1 0 381.929 2.341 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000534648043 650779359 /nfs/dbraw/zinc/77/93/59/650779359.db2.gz BRBHKAPZNAAUIN-UHFFFAOYSA-N 1 0 391.313 2.365 20 0 GEADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000534737736 650780406 /nfs/dbraw/zinc/78/04/06/650780406.db2.gz QQWRKRANXUJYHP-QWHCGFSZSA-N 1 0 386.323 2.451 20 0 GEADRO C[NH+]1CCC(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000054147931 642747951 /nfs/dbraw/zinc/74/79/51/642747951.db2.gz LFPNPUCWKHKHDR-UHFFFAOYSA-N 1 0 378.523 2.139 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CCSCC2)C[C@H]1[NH+](C)C ZINC000534826473 650780933 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C[C@H](c1nc2ccccc2s1)N1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000061247532 642842363 /nfs/dbraw/zinc/84/23/63/642842363.db2.gz YWXDJSWHQRZVMH-CQSZACIVSA-N 1 0 377.583 2.411 20 0 GEADRO CCn1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1C ZINC000535759618 650790271 /nfs/dbraw/zinc/79/02/71/650790271.db2.gz MLONJXLNZCJVAF-HNNXBMFYSA-N 1 0 382.555 2.463 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)NCC[N@@H+](C)C2CC2)ccc1Br ZINC000492353647 650790666 /nfs/dbraw/zinc/79/06/66/650790666.db2.gz RUBHBRYBZNPWDL-UHFFFAOYSA-N 1 0 383.290 2.089 20 0 GEADRO C[NH+]1CCC(NC(=S)N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000063147149 642853513 /nfs/dbraw/zinc/85/35/13/642853513.db2.gz ONLKLWVXHGROLB-UHFFFAOYSA-N 1 0 380.945 2.067 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1Br ZINC000063194215 642854621 /nfs/dbraw/zinc/85/46/21/642854621.db2.gz GJRZCCAVYXJJNB-MFKMUULPSA-N 1 0 377.304 2.348 20 0 GEADRO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1 ZINC000535851462 650791616 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VXOJDEISUIXZNU-UHFFFAOYSA-N 1 0 383.290 2.272 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000080822125 643064563 /nfs/dbraw/zinc/06/45/63/643064563.db2.gz XKZLSJZFKFGYAD-UHFFFAOYSA-N 1 0 375.922 2.044 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000091711473 643066586 /nfs/dbraw/zinc/06/65/86/643066586.db2.gz ITZJRMASNLXILM-NWDGAFQWSA-N 1 0 384.274 2.460 20 0 GEADRO CN1C(=O)C[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)[C@H]1c1ccc(Cl)cc1 ZINC000091769935 643067176 /nfs/dbraw/zinc/06/71/76/643067176.db2.gz IIBGZGWBCOGYGJ-IIDMSEBBSA-N 1 0 381.929 2.165 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000092612744 643072406 /nfs/dbraw/zinc/07/24/06/643072406.db2.gz IQELJTVMRJBUBG-AWEZNQCLSA-N 1 0 375.485 2.368 20 0 GEADRO Brc1ccc2ncc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)n2c1 ZINC000093817374 643080904 /nfs/dbraw/zinc/08/09/04/643080904.db2.gz BTIGMKXBTYIEAP-AWEZNQCLSA-N 1 0 379.302 2.251 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCNC(=O)c2cnccn2)c(Br)c1 ZINC000537296910 650812432 /nfs/dbraw/zinc/81/24/32/650812432.db2.gz XMFBLBOBYAOWNB-NSHDSACASA-N 1 0 379.258 2.328 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000096866124 643091314 /nfs/dbraw/zinc/09/13/14/643091314.db2.gz MANZQFJFYGXXDE-RKDXNWHRSA-N 1 0 397.722 2.482 20 0 GEADRO O=C(CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(Br)c1 ZINC000537608342 650818252 /nfs/dbraw/zinc/81/82/52/650818252.db2.gz HMQYGIVHUAQVCH-LBPRGKRZSA-N 1 0 395.301 2.171 20 0 GEADRO COc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCC2)cc1Br ZINC000097935677 643098901 /nfs/dbraw/zinc/09/89/01/643098901.db2.gz RVGPGTADWCIBKR-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1nc2ncc(Br)cn2n1)CC(C)C ZINC000098035762 643099931 /nfs/dbraw/zinc/09/99/31/643099931.db2.gz VUPLMUUQOVYUOD-CYBMUJFWSA-N 1 0 397.321 2.373 20 0 GEADRO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H](CO)c2sccc2C)C1=O ZINC000494641334 650813724 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Cc1cc(Br)ccc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103121988 643153775 /nfs/dbraw/zinc/15/37/75/643153775.db2.gz ZKFRWRONFMVOHR-UHFFFAOYSA-N 1 0 394.313 2.138 20 0 GEADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000103162151 643157681 /nfs/dbraw/zinc/15/76/81/643157681.db2.gz FLUASFVLMXLRCN-UHFFFAOYSA-N 1 0 383.258 2.444 20 0 GEADRO CNC(=O)CCOC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000494926402 650819091 /nfs/dbraw/zinc/81/90/91/650819091.db2.gz UCCLVJHJAYTFHZ-UHFFFAOYSA-N 1 0 385.302 2.445 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000104969023 643197848 /nfs/dbraw/zinc/19/78/48/643197848.db2.gz FHGXRJHAVPEVRI-LBPRGKRZSA-N 1 0 383.290 2.158 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCc1cc(Br)ccc1F ZINC000105141349 643200593 /nfs/dbraw/zinc/20/05/93/643200593.db2.gz FWVDRFKPKWPTAD-UHFFFAOYSA-N 1 0 376.270 2.308 20 0 GEADRO CN1CCO[C@H](CNC(=O)NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000105235650 643201880 /nfs/dbraw/zinc/20/18/80/643201880.db2.gz LVDABMDFXMRFFH-OAHLLOKOSA-N 1 0 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[NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000158623672 644152341 /nfs/dbraw/zinc/15/23/41/644152341.db2.gz NVYAATSCONDSMZ-VNHYZAJKSA-N 1 0 394.313 2.436 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000158874241 644164929 /nfs/dbraw/zinc/16/49/29/644164929.db2.gz RICWTGDQUKJSIR-ZDUSSCGKSA-N 1 0 386.901 2.233 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2nc(C)c(C)s2)CC1 ZINC000158894423 644165450 /nfs/dbraw/zinc/16/54/50/644165450.db2.gz SLOBFJPLLVXJQP-UHFFFAOYSA-N 1 0 383.543 2.043 20 0 GEADRO Cc1cnc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)s1 ZINC000158931509 644169043 /nfs/dbraw/zinc/16/90/43/644169043.db2.gz RHWONMAIZZUDAI-CYBMUJFWSA-N 1 0 383.543 2.295 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000543011356 650897394 /nfs/dbraw/zinc/89/73/94/650897394.db2.gz NJHLQRSQOJQZQL-CQSZACIVSA-N 1 0 398.345 2.142 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000159115480 644176323 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C[NH2+]C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000179029309 644449409 /nfs/dbraw/zinc/44/94/09/644449409.db2.gz QJIAVULHMCWWDF-LBPRGKRZSA-N 1 0 387.933 2.098 20 0 GEADRO C[NH+](C)C1(CNC(=O)Nc2ccncc2Br)Cc2ccccc2C1 ZINC000543740840 650922424 /nfs/dbraw/zinc/92/24/24/650922424.db2.gz ZIHMYQOQLHGWQY-UHFFFAOYSA-N 1 0 389.297 2.487 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000179649566 644466370 /nfs/dbraw/zinc/46/63/70/644466370.db2.gz GKCXTTPUHSCPJZ-HZPDHXFCSA-N 1 0 375.296 2.500 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)nc1C ZINC000179703232 644468716 /nfs/dbraw/zinc/46/87/16/644468716.db2.gz MTBWXIMYWRFUCL-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1Br ZINC000180298127 644499009 /nfs/dbraw/zinc/49/90/09/644499009.db2.gz SOOUYJAPVOBUAM-GFCCVEGCSA-N 1 0 389.315 2.224 20 0 GEADRO O=C(NCC[NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccn[nH]1 ZINC000181134705 644524833 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/nfs/dbraw/zinc/95/81/18/644958118.db2.gz DLXQKIHRFUJVLI-UHFFFAOYSA-N 1 0 384.311 2.463 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc(I)cn2)C1 ZINC000545208715 650965389 /nfs/dbraw/zinc/96/53/89/650965389.db2.gz KJTKVNIVOJMINS-ZDUSSCGKSA-N 1 0 390.269 2.018 20 0 GEADRO C[S@@](=O)C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000183094148 644979787 /nfs/dbraw/zinc/97/97/87/644979787.db2.gz OHIBLFNEWGZGEP-HOYKHHGWSA-N 1 0 381.519 2.178 20 0 GEADRO C[NH+](C)CCOc1cc(C(=O)NCc2ccc(O)c(Br)c2)ccn1 ZINC000183238177 644988352 /nfs/dbraw/zinc/98/83/52/644988352.db2.gz ORWUQHGJUFYJEU-UHFFFAOYSA-N 1 0 394.269 2.420 20 0 GEADRO C[NH+](C)CCOc1cc(C(=O)Nc2c[nH]cc(Br)c2=O)ccn1 ZINC000183249914 644989099 /nfs/dbraw/zinc/98/90/99/644989099.db2.gz PZPGDIIBKYCREU-UHFFFAOYSA-N 1 0 381.230 2.137 20 0 GEADRO CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000184028318 645007786 /nfs/dbraw/zinc/00/77/86/645007786.db2.gz GHXXFBWEWOEEQP-HNNXBMFYSA-N 1 0 379.869 2.402 20 0 GEADRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@H](O)c1ccccc1Br)CC2 ZINC000185093070 645034397 /nfs/dbraw/zinc/03/43/97/645034397.db2.gz RXABIFYHBIJNBL-HNNXBMFYSA-N 1 0 397.269 2.266 20 0 GEADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@H]21 ZINC000185146770 645036223 /nfs/dbraw/zinc/03/62/23/645036223.db2.gz KPOZRZOECIPIRB-XZJROXQQSA-N 1 0 375.270 2.444 20 0 GEADRO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nnn1-c1cccc(Br)c1 ZINC000185149296 645036362 /nfs/dbraw/zinc/03/63/62/645036362.db2.gz PODCPKZYEBBAQQ-NILFDRSVSA-N 1 0 390.285 2.148 20 0 GEADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@@H]12 ZINC000185146791 645036445 /nfs/dbraw/zinc/03/64/45/645036445.db2.gz KPOZRZOECIPIRB-LYRGGWFBSA-N 1 0 375.270 2.444 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000185255363 645039972 /nfs/dbraw/zinc/03/99/72/645039972.db2.gz ZYLQPTCJIGYYGK-LLVKDONJSA-N 1 0 391.331 2.477 20 0 GEADRO Cc1ccc(CCC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000185266497 645040462 /nfs/dbraw/zinc/04/04/62/645040462.db2.gz QGLZKJCGNYHVDG-OAHLLOKOSA-N 1 0 382.346 2.442 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000185433102 645045080 /nfs/dbraw/zinc/04/50/80/645045080.db2.gz VTKHJASJWSWEEO-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO COCCCS(=O)(=O)N1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185522352 645047337 /nfs/dbraw/zinc/04/73/37/645047337.db2.gz KWIJHHYNXGXNAU-UHFFFAOYSA-N 1 0 386.480 2.339 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(Br)ccc1Br ZINC000185542273 645048576 /nfs/dbraw/zinc/04/85/76/645048576.db2.gz BRFJYMLJJGIVHA-ZDUSSCGKSA-N 1 0 394.107 2.254 20 0 GEADRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000186030931 645058069 /nfs/dbraw/zinc/05/80/69/645058069.db2.gz VGXBTVIKMCIGQG-IAQYHMDHSA-N 1 0 398.301 2.432 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186169174 645061810 /nfs/dbraw/zinc/06/18/10/645061810.db2.gz BDQWUSCMIDISLQ-CQSZACIVSA-N 1 0 390.933 2.375 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000186364577 645065292 /nfs/dbraw/zinc/06/52/92/645065292.db2.gz IEKKCXYBPLBPMW-UHFFFAOYSA-N 1 0 382.913 2.462 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000187009075 645078862 /nfs/dbraw/zinc/07/88/62/645078862.db2.gz OMCJKGFIBAIBIG-UHFFFAOYSA-N 1 0 385.555 2.089 20 0 GEADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCOc2cccc(Br)c2)C1(C)C ZINC000187491328 645092248 /nfs/dbraw/zinc/09/22/48/645092248.db2.gz ZUGLJUWYFGOGGZ-WMLDXEAASA-N 1 0 385.302 2.477 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000188054369 645105969 /nfs/dbraw/zinc/10/59/69/645105969.db2.gz RMJVRDPZFDFVIY-UHFFFAOYSA-N 1 0 380.286 2.439 20 0 GEADRO Cn1cnc(S(=O)(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1Cl ZINC000188224853 645111060 /nfs/dbraw/zinc/11/10/60/645111060.db2.gz NYMMJTVGKGPJKA-KRWDZBQOSA-N 1 0 382.917 2.407 20 0 GEADRO C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000188608184 645120342 /nfs/dbraw/zinc/12/03/42/645120342.db2.gz VNIRPGQJTMYALD-WHOFXGATSA-N 1 0 380.432 2.468 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000189124400 645133610 /nfs/dbraw/zinc/13/36/10/645133610.db2.gz DWZZHYJOFQDJLI-UHFFFAOYSA-N 1 0 397.488 2.214 20 0 GEADRO COCC[NH+]1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000545865179 650982365 /nfs/dbraw/zinc/98/23/65/650982365.db2.gz FYGBSOMXOVKFGJ-UHFFFAOYSA-N 1 0 398.248 2.003 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000545861240 650982505 /nfs/dbraw/zinc/98/25/05/650982505.db2.gz FGQHSBDHHNUHET-CYBMUJFWSA-N 1 0 381.192 2.264 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000191990968 645188535 /nfs/dbraw/zinc/18/85/35/645188535.db2.gz LSVHZAPKAVUXIG-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000546024881 650987527 /nfs/dbraw/zinc/98/75/27/650987527.db2.gz IJDXKUTVNNRODG-LBPRGKRZSA-N 1 0 385.917 2.235 20 0 GEADRO O=c1oc2cc(F)c(Br)cc2n1CN1CC[C@H]([NH+]2CC=CC2)C1 ZINC000192160813 645196935 /nfs/dbraw/zinc/19/69/35/645196935.db2.gz ZXOSPXQMQKJZQF-NSHDSACASA-N 1 0 382.233 2.400 20 0 GEADRO COc1cccc2c1CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)C2 ZINC000192446029 645207142 /nfs/dbraw/zinc/20/71/42/645207142.db2.gz FVAKFXMVJMKNJJ-LSDHHAIUSA-N 1 0 381.519 2.038 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)C[C@H]2C1 ZINC000192486897 645209501 /nfs/dbraw/zinc/20/95/01/645209501.db2.gz LERBIBMXKJFNMT-TXEJJXNPSA-N 1 0 377.897 2.305 20 0 GEADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CSCCS3)CC2)c1 ZINC000192538396 645210906 /nfs/dbraw/zinc/21/09/06/645210906.db2.gz DZQABNKAMMUGHQ-GOSISDBHSA-N 1 0 379.595 2.472 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1ccc(F)c(Cl)c1 ZINC000192584090 645212543 /nfs/dbraw/zinc/21/25/43/645212543.db2.gz WFAMWRXKNBUQAD-UHFFFAOYSA-N 1 0 388.896 2.333 20 0 GEADRO CCS[C@@H]1CCCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000192637901 645216641 /nfs/dbraw/zinc/21/66/41/645216641.db2.gz UVWKVZLTNKKAJA-MRXNPFEDSA-N 1 0 388.603 2.358 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1csc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000192855618 645225935 /nfs/dbraw/zinc/22/59/35/645225935.db2.gz SQHVZKRRELVQIA-CQSZACIVSA-N 1 0 380.535 2.482 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)ncc1Br ZINC000192926061 645230958 /nfs/dbraw/zinc/23/09/58/645230958.db2.gz OWVJULKDKNSLCJ-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000192932382 645232138 /nfs/dbraw/zinc/23/21/38/645232138.db2.gz BDWGDBJFXHVCAJ-CVEARBPZSA-N 1 0 387.571 2.104 20 0 GEADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000193035125 645235430 /nfs/dbraw/zinc/23/54/30/645235430.db2.gz WHTOJTJFONWYEF-SJCJKPOMSA-N 1 0 387.933 2.228 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(Br)cn2)([NH+](C)C)C1 ZINC000193070858 645237761 /nfs/dbraw/zinc/23/77/61/645237761.db2.gz AWOFQMZATHMNQB-YVEFUNNKSA-N 1 0 397.317 2.409 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193076433 645238710 /nfs/dbraw/zinc/23/87/10/645238710.db2.gz ZXOOESUHLJGKJE-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193087947 645240072 /nfs/dbraw/zinc/24/00/72/645240072.db2.gz FRNSTPFUOZGRMS-GFCCVEGCSA-N 1 0 375.897 2.230 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000193268847 645258481 /nfs/dbraw/zinc/25/84/81/645258481.db2.gz WAAJHAARLNUKHD-ZDUSSCGKSA-N 1 0 390.933 2.374 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)[NH+](C)C ZINC000193280824 645260080 /nfs/dbraw/zinc/26/00/80/645260080.db2.gz PSIBAZCYPOLCHB-CYBMUJFWSA-N 1 0 385.306 2.265 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000193285992 645261444 /nfs/dbraw/zinc/26/14/44/645261444.db2.gz OAKCKNCVOPGODV-NXEZZACHSA-N 1 0 395.294 2.345 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000193285631 645261513 /nfs/dbraw/zinc/26/15/13/645261513.db2.gz PKMNEPNUFYGKNW-MNOVXSKESA-N 1 0 377.304 2.206 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)ncc1Br ZINC000193286933 645262185 /nfs/dbraw/zinc/26/21/85/645262185.db2.gz AOCJCMLEXKBEQE-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193301925 645264047 /nfs/dbraw/zinc/26/40/47/645264047.db2.gz HTXSMVLTAGXWGP-HIFRSBDPSA-N 1 0 388.917 2.128 20 0 GEADRO [NH3+][C@H](CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1)C1CC1 ZINC000193314329 645266193 /nfs/dbraw/zinc/26/61/93/645266193.db2.gz NPNMPOYSVNGARJ-LSDHHAIUSA-N 1 0 388.917 2.304 20 0 GEADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Br)C1 ZINC000193330614 645267996 /nfs/dbraw/zinc/26/79/96/645267996.db2.gz BNKMWOLTMPFUBP-SECBINFHSA-N 1 0 397.722 2.484 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(Cl)cc1Cl ZINC000193402366 645269348 /nfs/dbraw/zinc/26/93/48/645269348.db2.gz SSGPNCRQLOHWSI-UFBFGSQYSA-N 1 0 381.281 2.056 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000546197091 650995359 /nfs/dbraw/zinc/99/53/59/650995359.db2.gz HBFWOZVJAZOUNB-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193416482 645270859 /nfs/dbraw/zinc/27/08/59/645270859.db2.gz AXCRXJOXEYDJDS-DYEKYZERSA-N 1 0 376.906 2.030 20 0 GEADRO C[C@@H](NC(=O)c1ccc(I)c(O)c1)C1=CC[N@H+](C)CC1 ZINC000546207534 650995705 /nfs/dbraw/zinc/99/57/05/650995705.db2.gz PBZROUSJSRMWBW-SNVBAGLBSA-N 1 0 386.233 2.377 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000193506199 645279559 /nfs/dbraw/zinc/27/95/59/645279559.db2.gz WVZYUJRLUUYAQI-MADCSZMMSA-N 1 0 380.176 2.440 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[NH2+][C@H]3C)s2)CC1 ZINC000193553659 645282757 /nfs/dbraw/zinc/28/27/57/645282757.db2.gz HTEUQUMCVWVIGG-KBPBESRZSA-N 1 0 385.555 2.039 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1Br ZINC000193558636 645283823 /nfs/dbraw/zinc/28/38/23/645283823.db2.gz KHWRCPZFMDQJJF-CYBMUJFWSA-N 1 0 397.317 2.185 20 0 GEADRO CS(=O)(=O)c1csc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193806151 645300759 /nfs/dbraw/zinc/30/07/59/645300759.db2.gz ZBFFZPPVVDCRAU-OAHLLOKOSA-N 1 0 378.519 2.404 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c(Cl)n1 ZINC000193933535 645306281 /nfs/dbraw/zinc/30/62/81/645306281.db2.gz VFSGVVMUMZKGBT-UHFFFAOYSA-N 1 0 375.922 2.165 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000194232502 645318399 /nfs/dbraw/zinc/31/83/99/645318399.db2.gz VNZFYJDOMAZSBJ-UHFFFAOYSA-N 1 0 394.313 2.170 20 0 GEADRO O[C@@H](C[NH2+]C[C@H]1CCC=CO1)COc1ccc(I)cc1 ZINC000194369360 645324319 /nfs/dbraw/zinc/32/43/19/645324319.db2.gz YCBUVQRDGARZRU-DZGCQCFKSA-N 1 0 389.233 2.313 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194392389 645326102 /nfs/dbraw/zinc/32/61/02/645326102.db2.gz SRANTYZHYLRDMI-GOEBONIOSA-N 1 0 385.302 2.226 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000194449489 645328405 /nfs/dbraw/zinc/32/84/05/645328405.db2.gz UWZAMOHFLNAXPX-GFCCVEGCSA-N 1 0 385.306 2.417 20 0 GEADRO C[NH+](C)C1CCN(C(=O)COc2cccc(I)c2)CC1 ZINC000194589897 645336026 /nfs/dbraw/zinc/33/60/26/645336026.db2.gz TXSCMDVBLUBRRB-UHFFFAOYSA-N 1 0 388.249 2.223 20 0 GEADRO COc1cc(CNC[C@@]2(O)CC[N@H+](C)C2)cc(Br)c1OC(F)F ZINC000546565320 651002228 /nfs/dbraw/zinc/00/22/28/651002228.db2.gz PRDZUDYYJAPVIP-HNNXBMFYSA-N 1 0 395.244 2.215 20 0 GEADRO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2C)nnn1-c1cccc(Br)c1 ZINC000194691971 645342658 /nfs/dbraw/zinc/34/26/58/645342658.db2.gz YOIWBQJZSBJUHB-CQSZACIVSA-N 1 0 378.274 2.162 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1Cl ZINC000194734256 645345784 /nfs/dbraw/zinc/34/57/84/645345784.db2.gz FOJQZHKDMXQARH-JTQLQIEISA-N 1 0 383.695 2.127 20 0 GEADRO C[C@H]([NH3+])CNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000194944539 645350066 /nfs/dbraw/zinc/35/00/66/645350066.db2.gz QUFMILUOUVVVIC-JTQLQIEISA-N 1 0 380.242 2.396 20 0 GEADRO Cc1cc(NC(=O)CNc2ncnc3c2cnn3C)ccc1Br ZINC000195404794 645376561 /nfs/dbraw/zinc/37/65/61/645376561.db2.gz VRYAYXQDSMGIBR-UHFFFAOYSA-N 1 0 375.230 2.485 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)COc2ccc(Br)cc2)C[C@H](C)O1 ZINC000198903913 645383499 /nfs/dbraw/zinc/38/34/99/645383499.db2.gz MPVFCPWTJOMUFO-KBPBESRZSA-N 1 0 385.302 2.443 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000216006905 645385265 /nfs/dbraw/zinc/38/52/65/645385265.db2.gz BFJWAQJGWAOLQN-IUCAKERBSA-N 1 0 397.722 2.469 20 0 GEADRO C[NH2+]CCNC(=O)c1cc(Br)ccc1I ZINC000226240340 645390651 /nfs/dbraw/zinc/39/06/51/645390651.db2.gz RZSPQDMMAZDVCB-UHFFFAOYSA-N 1 0 383.027 2.003 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000226460251 645391014 /nfs/dbraw/zinc/39/10/14/645391014.db2.gz RTURNBVKIDPIPI-GFCCVEGCSA-N 1 0 377.304 2.268 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H](C[NH3+])C1 ZINC000226417701 645391022 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CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000236631962 645415381 /nfs/dbraw/zinc/41/53/81/645415381.db2.gz JOBQCCARRLOLMP-MRXNPFEDSA-N 1 0 387.933 2.325 20 0 GEADRO O=C(CCCSc1ccc(Br)cc1)NCCN1CC[NH2+]CC1 ZINC000236627545 645415423 /nfs/dbraw/zinc/41/54/23/645415423.db2.gz JNEFMVCKDSPYLK-UHFFFAOYSA-N 1 0 386.359 2.343 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000236628100 645415456 /nfs/dbraw/zinc/41/54/56/645415456.db2.gz DSUXRZZJRPHACC-ZDUSSCGKSA-N 1 0 395.301 2.039 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546769362 651009233 /nfs/dbraw/zinc/00/92/33/651009233.db2.gz HGTIMRMDBDIUMX-LBPRGKRZSA-N 1 0 377.304 2.395 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000236674242 645417683 /nfs/dbraw/zinc/41/76/83/645417683.db2.gz GSORRAVPCWNQJN-VIFPVBQESA-N 1 0 380.264 2.009 20 0 GEADRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000236722856 645418432 /nfs/dbraw/zinc/41/84/32/645418432.db2.gz UIJKGFGZSHNKDP-CYBMUJFWSA-N 1 0 394.291 2.399 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC([NH2+]C)CC2)ccc1Cl ZINC000236968115 645420765 /nfs/dbraw/zinc/42/07/65/645420765.db2.gz NXFVRXXGTCDWRO-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000237026078 645421777 /nfs/dbraw/zinc/42/17/77/645421777.db2.gz XZMZYVLAMKRYQY-UHFFFAOYSA-N 1 0 392.275 2.248 20 0 GEADRO C[NH2+]C1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)CC1 ZINC000237091984 645421807 /nfs/dbraw/zinc/42/18/07/645421807.db2.gz NKUCKLISNWNDOZ-UHFFFAOYSA-N 1 0 387.933 2.193 20 0 GEADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2OC)CC1 ZINC000237100440 645422520 /nfs/dbraw/zinc/42/25/20/645422520.db2.gz VDCPFIQVHUVMMH-UHFFFAOYSA-N 1 0 397.722 2.484 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000237108250 645423322 /nfs/dbraw/zinc/42/33/22/645423322.db2.gz IBDONVXVHHNGGR-ZFWWWQNUSA-N 1 0 394.313 2.321 20 0 GEADRO COc1cc(C[NH2+]CC2(O)CCC2)cc(I)c1OC ZINC000237131519 645424214 /nfs/dbraw/zinc/42/42/14/645424214.db2.gz GRENMYMDXCOEED-UHFFFAOYSA-N 1 0 377.222 2.313 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC2(C[NH3+])CCCC2)c(Cl)cc1Cl ZINC000237197755 645426711 /nfs/dbraw/zinc/42/67/11/645426711.db2.gz PABQGQGRIRWTHU-UHFFFAOYSA-N 1 0 381.281 2.330 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000237340851 645428271 /nfs/dbraw/zinc/42/82/71/645428271.db2.gz YFEAQLYHBXUZOQ-NSHDSACASA-N 1 0 391.877 2.303 20 0 GEADRO C[C@@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccc(Br)cc1 ZINC000237357939 645429021 /nfs/dbraw/zinc/42/90/21/645429021.db2.gz SYUHGVVIKQGCMQ-LLVKDONJSA-N 1 0 378.274 2.456 20 0 GEADRO COc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(I)c1 ZINC000237353792 645429189 /nfs/dbraw/zinc/42/91/89/645429189.db2.gz LMWNUTPUMRMBGR-MNOVXSKESA-N 1 0 388.249 2.499 20 0 GEADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1cc(Br)ccc1Br ZINC000237488499 645433837 /nfs/dbraw/zinc/43/38/37/645433837.db2.gz 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[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000237886697 645447156 /nfs/dbraw/zinc/44/71/56/645447156.db2.gz AJKGBBJVFXUPNK-GFCCVEGCSA-N 1 0 388.295 2.076 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC000237889954 645447423 /nfs/dbraw/zinc/44/74/23/645447423.db2.gz UKCWTFCDUQBOEI-LLVKDONJSA-N 1 0 390.336 2.399 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000237949480 645447946 /nfs/dbraw/zinc/44/79/46/645447946.db2.gz NKVPOYZLVZEAJL-CYBMUJFWSA-N 1 0 378.523 2.268 20 0 GEADRO O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NC[C@@H]1CCC[NH2+]C1 ZINC000238133105 645449368 /nfs/dbraw/zinc/44/93/68/645449368.db2.gz AVTBWNWOEMLSIK-GFCCVEGCSA-N 1 0 378.523 2.044 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000238073292 645449616 /nfs/dbraw/zinc/44/96/16/645449616.db2.gz LHLFZCMCKCIWMT-LBPRGKRZSA-N 1 0 378.523 2.126 20 0 GEADRO COc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1Br ZINC000245418212 645454136 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O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000245804726 645469720 /nfs/dbraw/zinc/46/97/20/645469720.db2.gz BIPDFFALZOCSBW-JSGCOSHPSA-N 1 0 395.301 2.163 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000246057778 645473583 /nfs/dbraw/zinc/47/35/83/645473583.db2.gz DAUZQRYTYAUJPY-CVEARBPZSA-N 1 0 394.313 2.497 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCN1C[C@H](C)O ZINC000246324251 645479009 /nfs/dbraw/zinc/47/90/09/645479009.db2.gz ZGWBDOXBWOBMBU-RYUDHWBXSA-N 1 0 381.325 2.459 20 0 GEADRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000546932895 651015067 /nfs/dbraw/zinc/01/50/67/651015067.db2.gz POONIQHPSNEIOS-AWEZNQCLSA-N 1 0 376.906 2.069 20 0 GEADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246617345 645488170 /nfs/dbraw/zinc/48/81/70/645488170.db2.gz GZANNCLBPWAHOU-HOCLYGCPSA-N 1 0 389.323 2.387 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2csc(S(N)(=O)=O)c2)[C@H]1c1cccs1 ZINC000247119822 645505557 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COc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(Br)c1 ZINC000261626807 645591623 /nfs/dbraw/zinc/59/16/23/645591623.db2.gz DXTLANULFCZRGY-ZWNOBZJWSA-N 1 0 377.304 2.348 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000261621881 645591696 /nfs/dbraw/zinc/59/16/96/645591696.db2.gz CBOPMJCYLSMXFH-RYUDHWBXSA-N 1 0 399.563 2.097 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC[C@H](Cn2cncn2)C1)c1ccc(Br)cc1 ZINC000261757145 645597328 /nfs/dbraw/zinc/59/73/28/645597328.db2.gz NDSYYSIKTKSMHM-SUMWQHHRSA-N 1 0 392.301 2.153 20 0 GEADRO COc1ccc(CN2CC[NH2+]C[C@H]2c2nccn2C)c(Br)c1OC ZINC000261791289 645600096 /nfs/dbraw/zinc/60/00/96/645600096.db2.gz QKOZJBGGVDCVQW-ZDUSSCGKSA-N 1 0 395.301 2.346 20 0 GEADRO CCc1ccc([C@@H]2C[NH2+]CCN2Cc2csc(CS(C)(=O)=O)n2)cc1 ZINC000261794954 645600847 /nfs/dbraw/zinc/60/08/47/645600847.db2.gz QLNAACFEANNWJU-KRWDZBQOSA-N 1 0 379.551 2.397 20 0 GEADRO CS(=O)(=O)Cc1nc(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cs1 ZINC000261792975 645600886 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CCOC(=O)c1cc2cc(S(=O)(=O)N[C@H]3C[NH2+]CC[C@H]3C)ccc2s1 ZINC000262227694 645620519 /nfs/dbraw/zinc/62/05/19/645620519.db2.gz GKZDRRFRWYPTKO-RISCZKNCSA-N 1 0 382.507 2.354 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@H]3C[NH2+]CC[C@@H]3C)ccc2s1 ZINC000262227693 645620587 /nfs/dbraw/zinc/62/05/87/645620587.db2.gz GKZDRRFRWYPTKO-FZMZJTMJSA-N 1 0 382.507 2.354 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H]3CC[NH2+][C@H](C)C3)ccc2s1 ZINC000262296665 645624988 /nfs/dbraw/zinc/62/49/88/645624988.db2.gz NLLQYGXVZBPOQU-DGCLKSJQSA-N 1 0 382.507 2.497 20 0 GEADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262298710 645625489 /nfs/dbraw/zinc/62/54/89/645625489.db2.gz ZRJMUYNIBYPKOM-UHFFFAOYSA-N 1 0 379.309 2.119 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262323698 645626943 /nfs/dbraw/zinc/62/69/43/645626943.db2.gz FRMZMSQFXMDXKJ-KRWDZBQOSA-N 1 0 378.881 2.117 20 0 GEADRO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)C1(n2cccn2)CC[NH2+]CC1 ZINC000262337566 645628420 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GEADRO CN(CC(C)(C)C[NH3+])C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000262572687 645637895 /nfs/dbraw/zinc/63/78/95/645637895.db2.gz BWQHWFFFXCPWFG-UHFFFAOYSA-N 1 0 388.281 2.151 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)CCC(=O)c2cc(Br)ccc2OC)C1 ZINC000262588728 645638337 /nfs/dbraw/zinc/63/83/37/645638337.db2.gz YEKFAPMOMWJQCC-GFCCVEGCSA-N 1 0 383.286 2.489 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000262592037 645639180 /nfs/dbraw/zinc/63/91/80/645639180.db2.gz RUTCIBCLQXQBJA-CJNGLKHVSA-N 1 0 394.313 2.170 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)COc1ccc(I)cc1 ZINC000262593864 645639247 /nfs/dbraw/zinc/63/92/47/645639247.db2.gz WHIVJTIULJCKLD-UHFFFAOYSA-N 1 0 376.238 2.113 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000262725354 645642282 /nfs/dbraw/zinc/64/22/82/645642282.db2.gz GZYJFGNZXUJTSW-JMCQJSRRSA-N 1 0 380.176 2.297 20 0 GEADRO Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000262731993 645643150 /nfs/dbraw/zinc/64/31/50/645643150.db2.gz BOOLTAUXCDVZTD-OAHLLOKOSA-N 1 0 379.551 2.218 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1csc(-c2cccs2)n1 ZINC000262738800 645643858 /nfs/dbraw/zinc/64/38/58/645643858.db2.gz DDUVSMJBZDZBHA-GFCCVEGCSA-N 1 0 378.523 2.331 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC[NH2+]1 ZINC000262798897 645646012 /nfs/dbraw/zinc/64/60/12/645646012.db2.gz UVGFUWVIEQHXDS-UMVBOHGHSA-N 1 0 388.917 2.174 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264486775 645684982 /nfs/dbraw/zinc/68/49/82/645684982.db2.gz OWJMSRRYYTXKOE-ZDUSSCGKSA-N 1 0 380.286 2.474 20 0 GEADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1Br ZINC000264539841 645689698 /nfs/dbraw/zinc/68/96/98/645689698.db2.gz AKCYSSWHTKDQPY-SWLSCSKDSA-N 1 0 397.317 2.149 20 0 GEADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1Br ZINC000264539843 645690063 /nfs/dbraw/zinc/69/00/63/645690063.db2.gz AKCYSSWHTKDQPY-WFASDCNBSA-N 1 0 397.317 2.149 20 0 GEADRO 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Cn1nnc(Br)c1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310468261 647280768 /nfs/dbraw/zinc/28/07/68/647280768.db2.gz AMCXGYXMOFLDFQ-CQSZACIVSA-N 1 0 392.301 2.220 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3Br)C[C@@H]2C1 ZINC000313852919 647283318 /nfs/dbraw/zinc/28/33/18/647283318.db2.gz HSRPHVUHZWLCDM-MNOVXSKESA-N 1 0 377.279 2.160 20 0 GEADRO COc1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1Br ZINC000320307082 647291740 /nfs/dbraw/zinc/29/17/40/647291740.db2.gz CENTVOQIGXMLMB-UHFFFAOYSA-N 1 0 399.310 2.437 20 0 GEADRO C[C@H](NC(=O)Cn1cc(CCCC[NH3+])nn1)c1ccc(Br)cc1 ZINC000323711786 647298603 /nfs/dbraw/zinc/29/86/03/647298603.db2.gz MJNJCGOHGJXMDA-LBPRGKRZSA-N 1 0 380.290 2.199 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(Br)nnn1C ZINC000323927541 647299674 /nfs/dbraw/zinc/29/96/74/647299674.db2.gz WXMHOSFIPGXBSU-UHFFFAOYSA-N 1 0 380.290 2.349 20 0 GEADRO O[C@H](C[NH2+]CCCn1cc(Br)cn1)COCc1ccccc1F ZINC000323977260 647299682 /nfs/dbraw/zinc/29/96/82/647299682.db2.gz 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COc1cc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1Br ZINC000331488194 647387197 /nfs/dbraw/zinc/38/71/97/647387197.db2.gz KHJQTCXRIANKME-YGRLFVJLSA-N 1 0 389.315 2.219 20 0 GEADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000331502257 647388115 /nfs/dbraw/zinc/38/81/15/647388115.db2.gz QXWMJESOJTVQHH-JTQLQIEISA-N 1 0 376.404 2.187 20 0 GEADRO CS[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1[NH+](C)C ZINC000331652969 647395241 /nfs/dbraw/zinc/39/52/41/647395241.db2.gz VSCAIEQHMFHPIL-OLZOCXBDSA-N 1 0 383.315 2.443 20 0 GEADRO CSc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000331797811 647399801 /nfs/dbraw/zinc/39/98/01/647399801.db2.gz AQFVAOCXWCAZHK-UHFFFAOYSA-N 1 0 386.568 2.146 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC[C@@H]1[NH3+] ZINC000332051791 647408405 /nfs/dbraw/zinc/40/84/05/647408405.db2.gz MZSGOVWHROBNOG-JQWIXIFHSA-N 1 0 379.262 2.231 20 0 GEADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)C[C@H](C)O1 ZINC000332198588 647421686 /nfs/dbraw/zinc/42/16/86/647421686.db2.gz ZUMPBQIRSIYIOA-TYNCELHUSA-N 1 0 383.286 2.498 20 0 GEADRO C[C@H]1NC(=O)N(CC[NH+]2CCC(Oc3cccc(Br)c3)CC2)C1=O ZINC000332286999 647428823 /nfs/dbraw/zinc/42/88/23/647428823.db2.gz MLEHBUNMFFTNSH-GFCCVEGCSA-N 1 0 396.285 2.233 20 0 GEADRO C[C@H]1CN(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C[C@H]1[NH3+] ZINC000332339031 647435015 /nfs/dbraw/zinc/43/50/15/647435015.db2.gz SHOUIKJGEQLKFT-SUMWQHHRSA-N 1 0 395.345 2.402 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000332436472 647437400 /nfs/dbraw/zinc/43/74/00/647437400.db2.gz KFUWYVVPGZCAKW-BZUAXINKSA-N 1 0 375.579 2.219 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000332479625 647439917 /nfs/dbraw/zinc/43/99/17/647439917.db2.gz VBHKWRUGPLDNQT-SWLSCSKDSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000332537359 647442990 /nfs/dbraw/zinc/44/29/90/647442990.db2.gz BKOOFSXKZOONFZ-GWCFXTLKSA-N 1 0 384.249 2.046 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332540514 647442999 /nfs/dbraw/zinc/44/29/99/647442999.db2.gz CRQKMQSHGABQMZ-ZJUUUORDSA-N 1 0 386.677 2.109 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332543166 647443601 /nfs/dbraw/zinc/44/36/01/647443601.db2.gz DXBFPTRJOHBRGT-NXEZZACHSA-N 1 0 386.677 2.109 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000332546057 647444182 /nfs/dbraw/zinc/44/41/82/647444182.db2.gz GJHNEOYCPMTJCD-JQWIXIFHSA-N 1 0 384.249 2.046 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC000332573436 647447510 /nfs/dbraw/zinc/44/75/10/647447510.db2.gz BQYTYUAHPRLVQO-WCQYABFASA-N 1 0 384.307 2.464 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332579642 647448474 /nfs/dbraw/zinc/44/84/74/647448474.db2.gz ZZHHLZIPPCUFBC-JOYOIKCWSA-N 1 0 386.677 2.251 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332632770 647450271 /nfs/dbraw/zinc/45/02/71/647450271.db2.gz WVUYYWZHZMMNJL-NXEZZACHSA-N 1 0 386.677 2.109 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000332664814 647451111 /nfs/dbraw/zinc/45/11/11/647451111.db2.gz LONJWWRATUTHSC-XPKDYRNWSA-N 1 0 381.318 2.407 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000332664811 647451210 /nfs/dbraw/zinc/45/12/10/647451210.db2.gz LONJWWRATUTHSC-INWMFGNUSA-N 1 0 381.318 2.407 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cnn1-c1ccc(Br)cc1 ZINC000333026901 647459425 /nfs/dbraw/zinc/45/94/25/647459425.db2.gz AAHBNFXIBNZWHH-WBMJQRKESA-N 1 0 375.270 2.377 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333086644 647459992 /nfs/dbraw/zinc/45/99/92/647459992.db2.gz BSLQOUZLUANXMC-WCQYABFASA-N 1 0 391.273 2.246 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333102038 647461851 /nfs/dbraw/zinc/46/18/51/647461851.db2.gz AWDBPVKUFVFMOL-NEPJUHHUSA-N 1 0 391.273 2.103 20 0 GEADRO Cc1c(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000333263049 647468169 /nfs/dbraw/zinc/46/81/69/647468169.db2.gz JCNFFVPGSYBDAE-UHFFFAOYSA-N 1 0 380.901 2.351 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333260569 647468186 /nfs/dbraw/zinc/46/81/86/647468186.db2.gz DWLFRTKHQGQYDG-OLZOCXBDSA-N 1 0 391.273 2.388 20 0 GEADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333264167 647468199 /nfs/dbraw/zinc/46/81/99/647468199.db2.gz FHTKZTBBPOCJTO-MNOVXSKESA-N 1 0 376.258 2.466 20 0 GEADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333264169 647468290 /nfs/dbraw/zinc/46/82/90/647468290.db2.gz FHTKZTBBPOCJTO-QWRGUYRKSA-N 1 0 376.258 2.466 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000333368191 647469255 /nfs/dbraw/zinc/46/92/55/647469255.db2.gz UPNFDXPQCJTKJQ-IUCAKERBSA-N 1 0 382.287 2.921 20 0 GEADRO CCc1n[nH]c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1Br ZINC000333440342 647473842 /nfs/dbraw/zinc/47/38/42/647473842.db2.gz PLCVQAFFIBFMSR-ZIAGYGMSSA-N 1 0 399.333 2.232 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333609908 647476081 /nfs/dbraw/zinc/47/60/81/647476081.db2.gz QKOONPIWTZCVIN-HUUCEWRRSA-N 1 0 381.318 2.469 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc4ncsc4c3)CC2)C1 ZINC000333627920 647477231 /nfs/dbraw/zinc/47/72/31/647477231.db2.gz GCOZTRHQFCXWFP-CJNGLKHVSA-N 1 0 381.523 2.203 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000333684976 647479940 /nfs/dbraw/zinc/47/99/40/647479940.db2.gz PFCHFQINJFEROC-DOMZBBRYSA-N 1 0 386.265 2.423 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000333758018 647480971 /nfs/dbraw/zinc/48/09/71/647480971.db2.gz OMPVEYGEZSHVIJ-AWEZNQCLSA-N 1 0 385.555 2.087 20 0 GEADRO Cc1c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)nnn1-c1cccc(Br)c1 ZINC000333786726 647482026 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ZINC000413896453 648082581 /nfs/dbraw/zinc/08/25/81/648082581.db2.gz SJKLTMKDIZBNDM-JSGCOSHPSA-N 1 0 383.286 2.116 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)s1 ZINC000414270680 648088947 /nfs/dbraw/zinc/08/89/47/648088947.db2.gz WGJDWELKCJLYDK-INIZCTEOSA-N 1 0 380.535 2.142 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414289303 648090380 /nfs/dbraw/zinc/09/03/80/648090380.db2.gz RHQMALKUXPPMKX-UHFFFAOYSA-N 1 0 376.425 2.302 20 0 GEADRO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414330115 648094433 /nfs/dbraw/zinc/09/44/33/648094433.db2.gz DRHPHVVWCQLIGE-GVXVVHGQSA-N 1 0 391.331 2.298 20 0 GEADRO CC[C@H]([NH2+]CCCS(=O)(=O)CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414339672 648095861 /nfs/dbraw/zinc/09/58/61/648095861.db2.gz LTPXHDLNCKEECK-AWEZNQCLSA-N 1 0 396.962 2.114 20 0 GEADRO COCCNc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000414339549 648095866 /nfs/dbraw/zinc/09/58/66/648095866.db2.gz ZKTATBBRUTYUON-UHFFFAOYSA-N 1 0 383.901 2.336 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NC[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000414707081 648100513 /nfs/dbraw/zinc/10/05/13/648100513.db2.gz BNOSNBFEHVBKAV-CQSZACIVSA-N 1 0 390.937 2.475 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)ccc1Cl ZINC000414714639 648101369 /nfs/dbraw/zinc/10/13/69/648101369.db2.gz MAJKGVWAYSCLCV-FZMZJTMJSA-N 1 0 388.921 2.324 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414721755 648102470 /nfs/dbraw/zinc/10/24/70/648102470.db2.gz IHCFHOXNUYQLLQ-GFCCVEGCSA-N 1 0 388.921 2.373 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414724731 648102540 /nfs/dbraw/zinc/10/25/40/648102540.db2.gz SRJIQOZWOLNLMO-VXGBXAGGSA-N 1 0 388.921 2.372 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000415410106 648102894 /nfs/dbraw/zinc/10/28/94/648102894.db2.gz FDVFRHOXCLWANY-LLVKDONJSA-N 1 0 386.290 2.147 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000415412469 648102938 /nfs/dbraw/zinc/10/29/38/648102938.db2.gz XKNPUODMPDZGOP-YGRLFVJLSA-N 1 0 382.258 2.451 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c1F ZINC000415410582 648102993 /nfs/dbraw/zinc/10/29/93/648102993.db2.gz VESJEIBMBMJAIE-LLVKDONJSA-N 1 0 386.265 2.341 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000415410863 648103005 /nfs/dbraw/zinc/10/30/05/648103005.db2.gz KYGUPHLAIWYWLF-JTQLQIEISA-N 1 0 375.803 2.386 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000415421849 648104989 /nfs/dbraw/zinc/10/49/89/648104989.db2.gz YNBVHQUMJMBWGF-NSHDSACASA-N 1 0 386.290 2.147 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415468908 648105514 /nfs/dbraw/zinc/10/55/14/648105514.db2.gz WFUYNMBJGIGAGX-DGCLKSJQSA-N 1 0 398.301 2.371 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2C(=O)OC)C1 ZINC000415471386 648105528 /nfs/dbraw/zinc/10/55/28/648105528.db2.gz QEVYYAPXJXTDLW-SECBINFHSA-N 1 0 388.237 2.448 20 0 GEADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415469605 648105547 /nfs/dbraw/zinc/10/55/47/648105547.db2.gz MEMVUDDPDLQPLV-NSHDSACASA-N 1 0 376.226 2.480 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415586025 648107380 /nfs/dbraw/zinc/10/73/80/648107380.db2.gz XXSRSELLBMDESU-JGVFFNPUSA-N 1 0 392.656 2.376 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc(Br)c1F ZINC000415596412 648108652 /nfs/dbraw/zinc/10/86/52/648108652.db2.gz CGCVLJFCQIKJOG-SECBINFHSA-N 1 0 398.179 2.479 20 0 GEADRO COc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(I)c1 ZINC000415603012 648109724 /nfs/dbraw/zinc/10/97/24/648109724.db2.gz ZHSORCZIYDJCEZ-RNCFNFMXSA-N 1 0 389.237 2.419 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415809400 648112721 /nfs/dbraw/zinc/11/27/21/648112721.db2.gz MXHQZIRODOLLOZ-PSASIEDQSA-N 1 0 390.228 2.300 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415809755 648113311 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GEADRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000416506332 648153445 /nfs/dbraw/zinc/15/34/45/648153445.db2.gz GEORYTYJJNSSTP-CYBMUJFWSA-N 1 0 390.933 2.374 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416523256 648158666 /nfs/dbraw/zinc/15/86/66/648158666.db2.gz JXIDLJAQUQLICL-CQSZACIVSA-N 1 0 387.933 2.113 20 0 GEADRO CCOC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)o1 ZINC000416548730 648168067 /nfs/dbraw/zinc/16/80/67/648168067.db2.gz BVSVDCYCWYCJID-UHFFFAOYSA-N 1 0 386.495 2.270 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1Cc2ccc(Cl)cc2C1 ZINC000416568257 648174103 /nfs/dbraw/zinc/17/41/03/648174103.db2.gz YPTKJNLEGYOGPP-UHFFFAOYSA-N 1 0 382.917 2.419 20 0 GEADRO COc1ccc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1Br ZINC000416830395 648213755 /nfs/dbraw/zinc/21/37/55/648213755.db2.gz GVVBYGAZAZFBRL-RYUDHWBXSA-N 1 0 386.290 2.377 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000416831429 648214247 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C[C@@]1(C[NH3+])CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417226154 648234781 /nfs/dbraw/zinc/23/47/81/648234781.db2.gz ORGLBQZJFAIHSF-INIZCTEOSA-N 1 0 383.290 2.158 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)NCc1cn2cc(Br)ccc2n1 ZINC000417227865 648235017 /nfs/dbraw/zinc/23/50/17/648235017.db2.gz VVNNZOUEBQCDMZ-GFCCVEGCSA-N 1 0 380.290 2.286 20 0 GEADRO [NH3+][C@@H](CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000417259174 648236965 /nfs/dbraw/zinc/23/69/65/648236965.db2.gz GIRZZYUIAFTKGT-WBMJQRKESA-N 1 0 381.318 2.312 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417258428 648237017 /nfs/dbraw/zinc/23/70/17/648237017.db2.gz FJUSQGGUXYDCSW-HIFRSBDPSA-N 1 0 381.318 2.279 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417295747 648237779 /nfs/dbraw/zinc/23/77/79/648237779.db2.gz FNLIAKWAIWNJPS-MRXNPFEDSA-N 1 0 384.274 2.101 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417297294 648238273 /nfs/dbraw/zinc/23/82/73/648238273.db2.gz ISHNQXWNFXLYOP-GFCCVEGCSA-N 1 0 384.274 2.114 20 0 GEADRO C[C@@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)[C@@H](C[NH3+])C1 ZINC000417301747 648238706 /nfs/dbraw/zinc/23/87/06/648238706.db2.gz PYJBRIMQGOLFKO-DGCLKSJQSA-N 1 0 398.301 2.489 20 0 GEADRO COc1cc(CNC(=O)N2CCCC[C@@H]2C[NH3+])cc(Br)c1OC ZINC000417362452 648240111 /nfs/dbraw/zinc/24/01/11/648240111.db2.gz BHDHJWWBLUUSKV-GFCCVEGCSA-N 1 0 386.290 2.489 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000417364136 648240568 /nfs/dbraw/zinc/24/05/68/648240568.db2.gz GXUPYEQMQNHRAK-AWEZNQCLSA-N 1 0 397.317 2.480 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417372501 648241617 /nfs/dbraw/zinc/24/16/17/648241617.db2.gz YVSCGVAEQTXCIF-WFASDCNBSA-N 1 0 397.317 2.383 20 0 GEADRO O=C(NCCCCC[NH+]1CCCC1)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000417421618 648243944 /nfs/dbraw/zinc/24/39/44/648243944.db2.gz MPECPGZSHAVBSR-UHFFFAOYSA-N 1 0 386.543 2.002 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417430547 648244351 /nfs/dbraw/zinc/24/43/51/648244351.db2.gz JVKYZQCJIGVFRA-DOMZBBRYSA-N 1 0 397.317 2.090 20 0 GEADRO COC[C@]1(CNC(=O)NCc2ccc(OC)c(Br)c2)CCC[NH2+]1 ZINC000417429001 648244395 /nfs/dbraw/zinc/24/43/95/648244395.db2.gz MIXJUKXQQQBXMG-MRXNPFEDSA-N 1 0 386.290 2.026 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(I)s2)CC[NH2+]1 ZINC000417435440 648245567 /nfs/dbraw/zinc/24/55/67/648245567.db2.gz BKZTZPIDRJXBRR-ZJUUUORDSA-N 1 0 393.294 2.335 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000417449138 648247226 /nfs/dbraw/zinc/24/72/26/648247226.db2.gz XLHRWEXOHMOWMP-ZYHUDNBSSA-N 1 0 386.290 2.393 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417478016 648248098 /nfs/dbraw/zinc/24/80/98/648248098.db2.gz HQSAKVSJHHBPAU-HOCLYGCPSA-N 1 0 381.318 2.421 20 0 GEADRO [NH3+]CC1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000417478630 648248202 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Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417494423 648250267 /nfs/dbraw/zinc/25/02/67/648250267.db2.gz XVBXTCSDCAJDKQ-WFASDCNBSA-N 1 0 397.317 2.383 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417718879 648258300 /nfs/dbraw/zinc/25/83/00/648258300.db2.gz CHKHNDGSRFDUSF-GWCFXTLKSA-N 1 0 393.289 2.161 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417731340 648259776 /nfs/dbraw/zinc/25/97/76/648259776.db2.gz ORLQLLWXMVKFKY-MRXNPFEDSA-N 1 0 393.289 2.115 20 0 GEADRO CC[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)Cc1cccc(Br)c1 ZINC000417724379 648259886 /nfs/dbraw/zinc/25/98/86/648259886.db2.gz NRXKZWAQMVKTRP-XJKSGUPXSA-N 1 0 384.318 2.305 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417736225 648260219 /nfs/dbraw/zinc/26/02/19/648260219.db2.gz TYFAIWLRXYKWAP-JTQLQIEISA-N 1 0 381.278 2.161 20 0 GEADRO CC[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)Cc1cccc(Br)c1 ZINC000417733659 648260270 /nfs/dbraw/zinc/26/02/70/648260270.db2.gz YDJCHFJEKKWZFJ-PBHICJAKSA-N 1 0 397.361 2.221 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417870520 648263585 /nfs/dbraw/zinc/26/35/85/648263585.db2.gz IKNYXBKYXKJUNG-GXSJLCMTSA-N 1 0 379.814 2.227 20 0 GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N1CC[NH2+]CC1 ZINC000417881110 648264064 /nfs/dbraw/zinc/26/40/64/648264064.db2.gz DOFITQIDFGQSQO-UHFFFAOYSA-N 1 0 381.318 2.028 20 0 GEADRO C[NH2+]CCN(C)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417881888 648264421 /nfs/dbraw/zinc/26/44/21/648264421.db2.gz DHPYLDKCLIEAHW-JTQLQIEISA-N 1 0 382.262 2.421 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417882977 648264679 /nfs/dbraw/zinc/26/46/79/648264679.db2.gz GWDMRUDNNSYFAB-CYBMUJFWSA-N 1 0 383.334 2.308 20 0 GEADRO C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417892354 648265114 /nfs/dbraw/zinc/26/51/14/648265114.db2.gz MATANDFRIVNKGD-CABZTGNLSA-N 1 0 380.246 2.303 20 0 GEADRO CC[NH2+]CCNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417889318 648265154 /nfs/dbraw/zinc/26/51/54/648265154.db2.gz JFYYAWSPWYGTQA-SNVBAGLBSA-N 1 0 382.262 2.469 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417899394 648265663 /nfs/dbraw/zinc/26/56/63/648265663.db2.gz SYERYIUSTDLNNG-GDBMZVCRSA-N 1 0 395.345 2.069 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417896898 648265668 /nfs/dbraw/zinc/26/56/68/648265668.db2.gz QVCOWFNSCSLFFQ-INIZCTEOSA-N 1 0 397.361 2.365 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CCO1 ZINC000417958799 648267029 /nfs/dbraw/zinc/26/70/29/648267029.db2.gz VQCNVSLUUQQJOQ-NSHDSACASA-N 1 0 396.207 2.337 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)nc12 ZINC000417995344 648268242 /nfs/dbraw/zinc/26/82/42/648268242.db2.gz ATUZLEPAHBQNJX-CHWSQXEVSA-N 1 0 394.317 2.340 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)NCC(C)(C)[NH3+])C2=O)ccc1Br ZINC000418003104 648268763 /nfs/dbraw/zinc/26/87/63/648268763.db2.gz BELIJLITUURZRG-AWEZNQCLSA-N 1 0 397.317 2.289 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418006662 648269028 /nfs/dbraw/zinc/26/90/28/648269028.db2.gz PMKWNLRXKAVVNV-YOEHRIQHSA-N 1 0 385.295 2.479 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418012954 648269503 /nfs/dbraw/zinc/26/95/03/648269503.db2.gz WGVCVLMNUQIQBA-QMTHXVAHSA-N 1 0 376.810 2.354 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[NH2+][C@H](C)C3)nc12 ZINC000418016701 648270355 /nfs/dbraw/zinc/27/03/55/648270355.db2.gz GDODNPAGKVSRMX-OCCSQVGLSA-N 1 0 394.317 2.387 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)nc12 ZINC000418018911 648270776 /nfs/dbraw/zinc/27/07/76/648270776.db2.gz JPBFXZCHXHKTNP-CHWSQXEVSA-N 1 0 380.290 2.474 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418019507 648270820 /nfs/dbraw/zinc/27/08/20/648270820.db2.gz XKSBLWWYXYDYSO-NHYWBVRUSA-N 1 0 397.317 2.018 20 0 GEADRO Cc1cc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000418022011 648271275 /nfs/dbraw/zinc/27/12/75/648271275.db2.gz QLFCGXJQOKCSDS-AWEZNQCLSA-N 1 0 378.826 2.284 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]([C@H](C)[NH3+])C3)nc12 ZINC000418020867 648271450 /nfs/dbraw/zinc/27/14/50/648271450.db2.gz OHSBYDVLVPOBNW-STQMWFEESA-N 1 0 394.317 2.326 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H](C[NH3+])C[C@@H]3C)nc12 ZINC000418029451 648272072 /nfs/dbraw/zinc/27/20/72/648272072.db2.gz RECUZPLSMYJAFA-RYUDHWBXSA-N 1 0 380.290 2.284 20 0 GEADRO [NH3+]CCN(CCO)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000418036787 648272665 /nfs/dbraw/zinc/27/26/65/648272665.db2.gz CMLREYDWWXFRRQ-HNNXBMFYSA-N 1 0 388.281 2.392 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(F)cc2I)[C@@H](C)C1 ZINC000418036910 648272920 /nfs/dbraw/zinc/27/29/20/648272920.db2.gz WXPASIOMPZTKAX-RYUDHWBXSA-N 1 0 392.256 2.317 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418047766 648273807 /nfs/dbraw/zinc/27/38/07/648273807.db2.gz QXVICMOKNZPFHM-CABCVRRESA-N 1 0 386.265 2.327 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418070521 648275038 /nfs/dbraw/zinc/27/50/38/648275038.db2.gz ULDXYCIYCZJWJD-CYBMUJFWSA-N 1 0 384.311 2.220 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418088390 648277978 /nfs/dbraw/zinc/27/79/78/648277978.db2.gz KIOJBKXWZCGJPO-DOMZBBRYSA-N 1 0 397.317 2.371 20 0 GEADRO [NH3+][C@H](CNC(=O)NCc1ccc(Cl)cc1I)C1CC1 ZINC000418094454 648278785 /nfs/dbraw/zinc/27/87/85/648278785.db2.gz UNXOYFBQYXAPOP-GFCCVEGCSA-N 1 0 393.656 2.481 20 0 GEADRO [NH3+]C1CCC(NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000418093539 648278822 /nfs/dbraw/zinc/27/88/22/648278822.db2.gz SXVIVTATHRRTME-PIMMBPRGSA-N 1 0 395.301 2.124 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418098155 648279536 /nfs/dbraw/zinc/27/95/36/648279536.db2.gz ZHPRICVDWVYHEY-BLLLJJGKSA-N 1 0 392.301 2.432 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418099339 648279649 /nfs/dbraw/zinc/27/96/49/648279649.db2.gz NDBNEICLDOFAPS-CABCVRRESA-N 1 0 381.318 2.421 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCCCn1cc(Br)cn1 ZINC000418103855 648279907 /nfs/dbraw/zinc/27/99/07/648279907.db2.gz JRADJIHGMBPCBZ-AVJIGQEQSA-N 1 0 384.322 2.241 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418106409 648280419 /nfs/dbraw/zinc/28/04/19/648280419.db2.gz XFDAVYRKMPLXPJ-UNEWFSDZSA-N 1 0 393.329 2.421 20 0 GEADRO CCOc1cc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc(Br)c1O ZINC000418108342 648281055 /nfs/dbraw/zinc/28/10/55/648281055.db2.gz FYKVMYHSWGVHJO-CHWSQXEVSA-N 1 0 387.318 2.440 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(F)cc1I ZINC000418117408 648281940 /nfs/dbraw/zinc/28/19/40/648281940.db2.gz RPNIOBHBEPCKBV-RYUDHWBXSA-N 1 0 392.256 2.317 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000418128418 648283487 /nfs/dbraw/zinc/28/34/87/648283487.db2.gz QGMDSSADPKNLQG-LVQVYYBASA-N 1 0 382.302 2.453 20 0 GEADRO O=C(NCc1ccc(I)c(Cl)c1)N1CCC[NH2+]CC1 ZINC000418168203 648286215 /nfs/dbraw/zinc/28/62/15/648286215.db2.gz WGMYRZODGJWZNS-UHFFFAOYSA-N 1 0 393.656 2.450 20 0 GEADRO COC[C@]1(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CCC[NH2+]1 ZINC000418166969 648286378 /nfs/dbraw/zinc/28/63/78/648286378.db2.gz UXXVBWBDNACJHX-WMLDXEAASA-N 1 0 398.301 2.341 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418193095 648287194 /nfs/dbraw/zinc/28/71/94/648287194.db2.gz NFKIDYKIENIMJI-UHFFFAOYSA-N 1 0 378.274 2.138 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccc(Br)cc2Cl)CCCO1 ZINC000418226767 648288207 /nfs/dbraw/zinc/28/82/07/648288207.db2.gz BGJFFKKTFBAKAK-ZDUSSCGKSA-N 1 0 390.709 2.404 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000418231300 648289005 /nfs/dbraw/zinc/28/90/05/648289005.db2.gz KZFOABSDGQZXGX-AWEZNQCLSA-N 1 0 387.933 2.274 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418233654 648289012 /nfs/dbraw/zinc/28/90/12/648289012.db2.gz ORPGCTCLVDILEW-UHFFFAOYSA-N 1 0 375.922 2.130 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000418238081 648289443 /nfs/dbraw/zinc/28/94/43/648289443.db2.gz WQYKOCWPYZBAAW-HIFRSBDPSA-N 1 0 387.933 2.321 20 0 GEADRO C[NH2+]CCCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418278805 648290836 /nfs/dbraw/zinc/29/08/36/648290836.db2.gz MYOJAGXFMJROON-UHFFFAOYSA-N 1 0 397.317 2.419 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418314803 648292401 /nfs/dbraw/zinc/29/24/01/648292401.db2.gz JQSUQGYZUVBQKR-LSDHHAIUSA-N 1 0 398.345 2.207 20 0 GEADRO CC[NH2+]CCNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418312907 648292443 /nfs/dbraw/zinc/29/24/43/648292443.db2.gz AMWCVFZVRRCFPC-CQSZACIVSA-N 1 0 381.826 2.427 20 0 GEADRO C[C@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000418331398 648293314 /nfs/dbraw/zinc/29/33/14/648293314.db2.gz CLSXWZCZFFCHDO-XQQFMLRXSA-N 1 0 390.311 2.420 20 0 GEADRO C[C@H](NC(=O)NC[C@H](CO)Cc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000418331039 648293370 /nfs/dbraw/zinc/29/33/70/648293370.db2.gz CHOQNIFDPDOINK-SQWLQELKSA-N 1 0 398.345 2.287 20 0 GEADRO C[C@@H](NC(=O)N(CCO)Cc1cc(Br)cs1)[C@H]1CCC[NH2+]C1 ZINC000418342383 648293682 /nfs/dbraw/zinc/29/36/82/648293682.db2.gz MXVVJKZDCLKWIX-NEPJUHHUSA-N 1 0 390.347 2.403 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000418353665 648294232 /nfs/dbraw/zinc/29/42/32/648294232.db2.gz DEQHAFNRXGNPEG-GFCCVEGCSA-N 1 0 380.539 2.286 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418377655 648295396 /nfs/dbraw/zinc/29/53/96/648295396.db2.gz HJGWZPFGKXXDQQ-GFCCVEGCSA-N 1 0 387.347 2.090 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCc1noc(-c2cccc(Br)c2)n1)C1CC1 ZINC000418389421 648295733 /nfs/dbraw/zinc/29/57/33/648295733.db2.gz AAAREXXUBRQLDS-LBPRGKRZSA-N 1 0 380.246 2.036 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418394823 648296020 /nfs/dbraw/zinc/29/60/20/648296020.db2.gz BGILRZIQYADTGF-IUODEOHRSA-N 1 0 390.297 2.022 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418394828 648296160 /nfs/dbraw/zinc/29/61/60/648296160.db2.gz BGILRZIQYADTGF-WFASDCNBSA-N 1 0 390.297 2.022 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418403658 648296637 /nfs/dbraw/zinc/29/66/37/648296637.db2.gz JNBYEURWYNJMNB-CYBMUJFWSA-N 1 0 389.363 2.321 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000418405962 648296941 /nfs/dbraw/zinc/29/69/41/648296941.db2.gz LLSSKLGIMCMSNU-AWEZNQCLSA-N 1 0 387.311 2.444 20 0 GEADRO [NH3+][C@@H](CNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000418499967 648298749 /nfs/dbraw/zinc/29/87/49/648298749.db2.gz OTAUQMMYBLWQEN-HNNXBMFYSA-N 1 0 385.295 2.198 20 0 GEADRO CC1(CNC(=O)NC[C@@H](CO)Cc2ccccc2Br)CC[NH2+]CC1 ZINC000418519050 648299448 /nfs/dbraw/zinc/29/94/48/648299448.db2.gz NQFXABUQKMKBHR-AWEZNQCLSA-N 1 0 398.345 2.289 20 0 GEADRO C[C@]1(CNC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CCC[NH2+]C1 ZINC000418535384 648300481 /nfs/dbraw/zinc/30/04/81/648300481.db2.gz HDVAPANKNZTOFY-YJBOKZPZSA-N 1 0 398.345 2.289 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418573863 648302228 /nfs/dbraw/zinc/30/22/28/648302228.db2.gz LSUNNYYPDUKWHA-IFIJOSMWSA-N 1 0 398.345 2.206 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418573865 648302364 /nfs/dbraw/zinc/30/23/64/648302364.db2.gz LSUNNYYPDUKWHA-RVSPLBMKSA-N 1 0 398.345 2.206 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418578889 648302813 /nfs/dbraw/zinc/30/28/13/648302813.db2.gz QQHXDIWDHMYGFO-MFKMUULPSA-N 1 0 376.320 2.013 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418578887 648302826 /nfs/dbraw/zinc/30/28/26/648302826.db2.gz QQHXDIWDHMYGFO-GWCFXTLKSA-N 1 0 376.320 2.013 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418587158 648303220 /nfs/dbraw/zinc/30/32/20/648303220.db2.gz GIKRTGVZGBXWNG-MDZLAQPJSA-N 1 0 376.284 2.030 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000418598964 648304080 /nfs/dbraw/zinc/30/40/80/648304080.db2.gz HEARXMWAQWIMHX-UKRRQHHQSA-N 1 0 386.334 2.206 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N(Cc1cccs1)C1CC1 ZINC000418611556 648304869 /nfs/dbraw/zinc/30/48/69/648304869.db2.gz HWERYMLIXJBMDQ-AWEZNQCLSA-N 1 0 376.448 2.258 20 0 GEADRO CCS[C@@H]1CCCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418610703 648304882 /nfs/dbraw/zinc/30/48/82/648304882.db2.gz GWPKIOHEBIJEOO-ZIAGYGMSSA-N 1 0 382.496 2.140 20 0 GEADRO [NH3+]C[C@H](NC(=O)NC[C@H](CO)Cc1cccc(Br)c1)C1CCCC1 ZINC000418617353 648305100 /nfs/dbraw/zinc/30/51/00/648305100.db2.gz IIIUBVYHVRMWLJ-PBHICJAKSA-N 1 0 398.345 2.417 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)N(CCO)Cc1cc(Br)cs1 ZINC000418633266 648306162 /nfs/dbraw/zinc/30/61/62/648306162.db2.gz CZAGXCOBUXHMRM-UHFFFAOYSA-N 1 0 388.331 2.324 20 0 GEADRO COC[C@@]1(CNC(=O)N(C)Cc2ccc(Br)c(F)c2)CCC[NH2+]1 ZINC000418654742 648306542 /nfs/dbraw/zinc/30/65/42/648306542.db2.gz MQDQEXBSHGZWNR-INIZCTEOSA-N 1 0 388.281 2.498 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000418653978 648306573 /nfs/dbraw/zinc/30/65/73/648306573.db2.gz LPMUBTKNOWJSPC-BBRMVZONSA-N 1 0 376.284 2.095 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000418675480 648306877 /nfs/dbraw/zinc/30/68/77/648306877.db2.gz RAJKHFSIWLZJTI-IUODEOHRSA-N 1 0 397.317 2.149 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418736122 648308830 /nfs/dbraw/zinc/30/88/30/648308830.db2.gz YCKPYMUDBZNKHP-VXGBXAGGSA-N 1 0 387.297 2.151 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000418746328 648309053 /nfs/dbraw/zinc/30/90/53/648309053.db2.gz XKQUOEQYAJHYPX-ZFURPNQOSA-N 1 0 382.302 2.298 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N(CCO)Cc1cc(Br)cs1 ZINC000418751101 648309289 /nfs/dbraw/zinc/30/92/89/648309289.db2.gz FEVDUDSMGMFITM-NSHDSACASA-N 1 0 398.273 2.012 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)N[C@H]1C[NH2+]CCC1(F)F ZINC000418748148 648309320 /nfs/dbraw/zinc/30/93/20/648309320.db2.gz KFILUQXHUIMUFR-CABZTGNLSA-N 1 0 398.237 2.030 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000418758443 648309721 /nfs/dbraw/zinc/30/97/21/648309721.db2.gz JZBINAVTFFYYJT-CYBMUJFWSA-N 1 0 382.238 2.495 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1)C1CC1 ZINC000418772359 648311771 /nfs/dbraw/zinc/31/17/71/648311771.db2.gz ZFXLOSGDVOMDKO-GDBMZVCRSA-N 1 0 377.897 2.461 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1)C1CC1 ZINC000418772363 648311788 /nfs/dbraw/zinc/31/17/88/648311788.db2.gz ZFXLOSGDVOMDKO-ZBFHGGJFSA-N 1 0 377.897 2.461 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418782388 648312554 /nfs/dbraw/zinc/31/25/54/648312554.db2.gz DWVGNBCOMRAXAX-PWSUYJOCSA-N 1 0 376.320 2.142 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418797752 648312978 /nfs/dbraw/zinc/31/29/78/648312978.db2.gz VAXTWWZHRUHVAP-UTUOFQBUSA-N 1 0 376.284 2.160 20 0 GEADRO C[NH+]1CCN(CCCNc2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000418820368 648313982 /nfs/dbraw/zinc/31/39/82/648313982.db2.gz FLDLBVRXTVYLGY-UHFFFAOYSA-N 1 0 387.269 2.974 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418822323 648314349 /nfs/dbraw/zinc/31/43/49/648314349.db2.gz WMHHPYNZEISARX-CQJJVWNLSA-N 1 0 382.291 2.318 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418827984 648315048 /nfs/dbraw/zinc/31/50/48/648315048.db2.gz MBFSCUBERJIRQN-DLKVLKDVSA-N 1 0 394.313 2.055 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418827712 648315090 /nfs/dbraw/zinc/31/50/90/648315090.db2.gz LZZNZHCFDJEELK-GXTWGEPZSA-N 1 0 382.302 2.055 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000418838678 648315780 /nfs/dbraw/zinc/31/57/80/648315780.db2.gz VWPZEOSVQQMZNZ-HRCADAONSA-N 1 0 394.313 2.022 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418839856 648316188 /nfs/dbraw/zinc/31/61/88/648316188.db2.gz DFIAAXYHYBTCME-KGLIPLIRSA-N 1 0 396.329 2.002 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000418839450 648316194 /nfs/dbraw/zinc/31/61/94/648316194.db2.gz YXPXUDYYCWSIRM-IVMMDQJWSA-N 1 0 394.313 2.022 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418849358 648317309 /nfs/dbraw/zinc/31/73/09/648317309.db2.gz MQPAWIHHEODFHW-ITMYJUKJSA-N 1 0 376.259 2.424 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418855002 648318143 /nfs/dbraw/zinc/31/81/43/648318143.db2.gz UIZFOWHAUCLDKW-NXEZZACHSA-N 1 0 376.259 2.426 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000418864263 648319139 /nfs/dbraw/zinc/31/91/39/648319139.db2.gz KAVCXPRNLIUASZ-OLZOCXBDSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000418866238 648319509 /nfs/dbraw/zinc/31/95/09/648319509.db2.gz NQGVRXOYCPOMMV-CYBMUJFWSA-N 1 0 394.313 2.228 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000418867004 648319547 /nfs/dbraw/zinc/31/95/47/648319547.db2.gz OQZZMHDYMNQETE-OUCADQQQSA-N 1 0 382.302 2.070 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418892991 648321758 /nfs/dbraw/zinc/32/17/58/648321758.db2.gz OXCJWHGNCASFHL-MRVWCRGKSA-N 1 0 384.307 2.471 20 0 GEADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418946345 648323747 /nfs/dbraw/zinc/32/37/47/648323747.db2.gz OJHGSAXFGJQBAJ-MLGOLLRUSA-N 1 0 394.313 2.132 20 0 GEADRO CO[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000418948563 648324415 /nfs/dbraw/zinc/32/44/15/648324415.db2.gz CKDWHONKAYHBBK-RTXFEEFZSA-N 1 0 388.295 2.135 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418949010 648324498 /nfs/dbraw/zinc/32/44/98/648324498.db2.gz UNMLRVABYGTDHM-DZGCQCFKSA-N 1 0 382.302 2.042 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418949725 648324834 /nfs/dbraw/zinc/32/48/34/648324834.db2.gz SBTFRLFRHKRKNO-OAHLLOKOSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000418953356 648324840 /nfs/dbraw/zinc/32/48/40/648324840.db2.gz ZXAKFOQGOVJBBJ-MEDUHNTESA-N 1 0 394.313 2.138 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000418954576 648325087 /nfs/dbraw/zinc/32/50/87/648325087.db2.gz OIRAGWRFMUSCCM-RAIGVLPGSA-N 1 0 388.295 2.135 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418995553 648326847 /nfs/dbraw/zinc/32/68/47/648326847.db2.gz RJYAKFUZHUAAIT-OAHLLOKOSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncc(Br)c(OC(C)(C)C)n1 ZINC000419007216 648327219 /nfs/dbraw/zinc/32/72/19/648327219.db2.gz UCQCKBUUKYWXAF-NWDGAFQWSA-N 1 0 387.322 2.308 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419016506 648327655 /nfs/dbraw/zinc/32/76/55/648327655.db2.gz DMTHKBVNARFKRD-ZENOOKHLSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419016590 648327679 /nfs/dbraw/zinc/32/76/79/648327679.db2.gz FEKUYUYMJZAZKM-CYBMUJFWSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H](C)CCc2ccc(Br)cc2)C1 ZINC000419021438 648328054 /nfs/dbraw/zinc/32/80/54/648328054.db2.gz MGIKCIWGZCTIFI-NFAWXSAZSA-N 1 0 396.329 2.082 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419045557 648329749 /nfs/dbraw/zinc/32/97/49/648329749.db2.gz WMIZMRHRNQIMKB-CQSZACIVSA-N 1 0 388.281 2.036 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)c1nc(C(F)(F)F)cs1 ZINC000419045731 648329813 /nfs/dbraw/zinc/32/98/13/648329813.db2.gz TXHCUHBWKUHIOU-VHSXEESVSA-N 1 0 380.436 2.219 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000419046421 648329847 /nfs/dbraw/zinc/32/98/47/648329847.db2.gz YBILTELAROMCSR-OCCSQVGLSA-N 1 0 386.323 2.486 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000419048520 648330037 /nfs/dbraw/zinc/33/00/37/648330037.db2.gz AHLPBEDDMTWYSH-KCQAQPDRSA-N 1 0 396.329 2.095 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](CC)Cc1ccccc1Br ZINC000419048764 648330106 /nfs/dbraw/zinc/33/01/06/648330106.db2.gz AOGZKZCETWYBQF-AWEZNQCLSA-N 1 0 384.318 2.002 20 0 GEADRO Cc1sc(CNC(=O)C(=O)N[C@H](C)CC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000419046478 648330129 /nfs/dbraw/zinc/33/01/29/648330129.db2.gz QFUKMXWPWOICED-SNVBAGLBSA-N 1 0 380.901 2.242 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419055222 648331057 /nfs/dbraw/zinc/33/10/57/648331057.db2.gz NTELLQVWMDNISY-ZFWWWQNUSA-N 1 0 396.329 2.002 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000419057121 648331487 /nfs/dbraw/zinc/33/14/87/648331487.db2.gz TURVDCBZIKXGHP-XJKSGUPXSA-N 1 0 398.345 2.328 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419059318 648331829 /nfs/dbraw/zinc/33/18/29/648331829.db2.gz XJVBXJOIWXJUGS-AWEZNQCLSA-N 1 0 398.345 2.330 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000419063143 648332190 /nfs/dbraw/zinc/33/21/90/648332190.db2.gz GHDLOIFTCKCHKE-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419079214 648332915 /nfs/dbraw/zinc/33/29/15/648332915.db2.gz MHPWBHIVHULXTN-UHFFFAOYSA-N 1 0 396.329 2.040 20 0 GEADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419088909 648333384 /nfs/dbraw/zinc/33/33/84/648333384.db2.gz CFNJLZKZEWSYIE-KBXCAEBGSA-N 1 0 382.291 2.309 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)[C@H]1C[NH3+] ZINC000419098367 648333744 /nfs/dbraw/zinc/33/37/44/648333744.db2.gz GVVKUTOSRSXSLW-MFKMUULPSA-N 1 0 380.901 2.152 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419112526 648334915 /nfs/dbraw/zinc/33/49/15/648334915.db2.gz VEKRAXVDEWWVCY-LBPRGKRZSA-N 1 0 382.917 2.398 20 0 GEADRO O=C(NCc1ccccc1Br)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419146512 648337057 /nfs/dbraw/zinc/33/70/57/648337057.db2.gz MIYHYPKCLWKSAY-UHFFFAOYSA-N 1 0 394.313 2.058 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cc(F)ccc1Br ZINC000419157694 648337861 /nfs/dbraw/zinc/33/78/61/648337861.db2.gz LILRQMNLKBVRSV-AWEZNQCLSA-N 1 0 388.281 2.036 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2cc(Br)ccc2C)CC1 ZINC000419169367 648338754 /nfs/dbraw/zinc/33/87/54/648338754.db2.gz UINJGSLCZVPOFL-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1Br ZINC000419171409 648339294 /nfs/dbraw/zinc/33/92/94/648339294.db2.gz XSHBHBGLQZSAGN-AWEZNQCLSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419186211 648340203 /nfs/dbraw/zinc/34/02/03/648340203.db2.gz LPKNJKAOHLEZPL-QWHCGFSZSA-N 1 0 396.329 2.039 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)[C@H](C)C[NH2+]1 ZINC000419195888 648341188 /nfs/dbraw/zinc/34/11/88/648341188.db2.gz YPNNLSQIHWOQRX-CHWSQXEVSA-N 1 0 396.329 2.052 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000419249019 648342644 /nfs/dbraw/zinc/34/26/44/648342644.db2.gz OSUHRHRJKBNMHK-SDDRHHMPSA-N 1 0 388.295 2.135 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419243526 648342672 /nfs/dbraw/zinc/34/26/72/648342672.db2.gz UJEJMKMFVTXMDF-DOMZBBRYSA-N 1 0 381.929 2.499 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000419249016 648342796 /nfs/dbraw/zinc/34/27/96/648342796.db2.gz OSUHRHRJKBNMHK-IJLUTSLNSA-N 1 0 388.295 2.135 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)c1cccc(Cl)c1Cl ZINC000419256585 648343126 /nfs/dbraw/zinc/34/31/26/648343126.db2.gz XRNOKKNDPFFTRK-OPQQBVKSSA-N 1 0 388.295 2.400 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419275613 648343983 /nfs/dbraw/zinc/34/39/83/648343983.db2.gz CVRHGIFNJONGQW-OUCADQQQSA-N 1 0 386.323 2.484 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000419286027 648344312 /nfs/dbraw/zinc/34/43/12/648344312.db2.gz NOPFGYFYYWPJBM-OLZOCXBDSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000419286026 648344529 /nfs/dbraw/zinc/34/45/29/648344529.db2.gz NOPFGYFYYWPJBM-CHWSQXEVSA-N 1 0 382.302 2.132 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419293955 648345302 /nfs/dbraw/zinc/34/53/02/648345302.db2.gz BNYQCCQWUQMSAH-KBPBESRZSA-N 1 0 382.302 2.068 20 0 GEADRO CCCN(C(=O)C(=O)NCc1c(C)cc(Br)cc1C)[C@@H]1CC[NH2+]C1 ZINC000419296734 648345553 /nfs/dbraw/zinc/34/55/53/648345553.db2.gz FHHFUSJMVVQTFQ-OAHLLOKOSA-N 1 0 396.329 2.283 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419328723 648347831 /nfs/dbraw/zinc/34/78/31/648347831.db2.gz DXEIQKQAAHWDJX-KGLIPLIRSA-N 1 0 384.318 2.083 20 0 GEADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)CN1CCO ZINC000419330891 648347893 /nfs/dbraw/zinc/34/78/93/648347893.db2.gz RCPTXAACJNJVIK-UONOGXRCSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc2c(cc1Br)OCCO2 ZINC000419328437 648347906 /nfs/dbraw/zinc/34/79/06/648347906.db2.gz OUSIGXTXRFLKDD-CHWSQXEVSA-N 1 0 385.302 2.107 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000419335386 648348393 /nfs/dbraw/zinc/34/83/93/648348393.db2.gz WDIIPKRGYFAYAC-UMVBOHGHSA-N 1 0 377.312 2.120 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc2c(cc1Br)OCCCO2 ZINC000419347131 648349531 /nfs/dbraw/zinc/34/95/31/648349531.db2.gz WINYDINSICHFJX-UONOGXRCSA-N 1 0 399.329 2.497 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419375122 648351004 /nfs/dbraw/zinc/35/10/04/648351004.db2.gz QEIGMXYPILHPOC-UHFFFAOYSA-N 1 0 396.329 2.231 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1Br ZINC000419505785 648354923 /nfs/dbraw/zinc/35/49/23/648354923.db2.gz KYBWPLRARUISLH-KGLIPLIRSA-N 1 0 384.318 2.354 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC000419512154 648355239 /nfs/dbraw/zinc/35/52/39/648355239.db2.gz ZGTGUQRZBPJABG-KBPBESRZSA-N 1 0 384.318 2.354 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419584257 648356747 /nfs/dbraw/zinc/35/67/47/648356747.db2.gz IQHKZVWZIYGEIT-LRDDRELGSA-N 1 0 394.313 2.059 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000419588232 648357320 /nfs/dbraw/zinc/35/73/20/648357320.db2.gz OMWVJMKYPRQUOM-BLLLJJGKSA-N 1 0 394.313 2.140 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Br)s1 ZINC000419674512 648362675 /nfs/dbraw/zinc/36/26/75/648362675.db2.gz AEHYNFFTLIFELS-MXWKQRLJSA-N 1 0 386.315 2.041 20 0 GEADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(Br)s1 ZINC000419698315 648366686 /nfs/dbraw/zinc/36/66/86/648366686.db2.gz YQUSRJQUCVMUEY-UHFFFAOYSA-N 1 0 396.310 2.114 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419705341 648367819 /nfs/dbraw/zinc/36/78/19/648367819.db2.gz IPSXWLMDELWFAJ-UWVGGRQHSA-N 1 0 376.320 2.322 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419706401 648368227 /nfs/dbraw/zinc/36/82/27/648368227.db2.gz JQTYJPQQEWARLZ-AXFHLTTASA-N 1 0 388.331 2.192 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)s2)C1 ZINC000419708570 648368539 /nfs/dbraw/zinc/36/85/39/648368539.db2.gz LSHZXPBTKXCWHI-MXWKQRLJSA-N 1 0 388.331 2.274 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000419727945 648371197 /nfs/dbraw/zinc/37/11/97/648371197.db2.gz MIRBZAFBPDDBDE-NOZJJQNGSA-N 1 0 386.279 2.129 20 0 GEADRO CCCN(C(=O)C(=O)NCc1cc(Br)cs1)C1CC[NH2+]CC1 ZINC000419727360 648371206 /nfs/dbraw/zinc/37/12/06/648371206.db2.gz WCTYEXLPCWGRAB-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CC[NH2+]C1 ZINC000419731311 648372158 /nfs/dbraw/zinc/37/21/58/648372158.db2.gz RAEYKIIZVBOOSC-MFKMUULPSA-N 1 0 386.279 2.144 20 0 GEADRO COCC1(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCC1 ZINC000419752365 648374839 /nfs/dbraw/zinc/37/48/39/648374839.db2.gz WKWNIMBMDNADFC-UHFFFAOYSA-N 1 0 391.331 2.393 20 0 GEADRO CO[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000419757354 648375413 /nfs/dbraw/zinc/37/54/13/648375413.db2.gz CKDWHONKAYHBBK-UHTWSYAYSA-N 1 0 388.295 2.135 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C[C@H]1[NH3+] ZINC000419763806 648376401 /nfs/dbraw/zinc/37/64/01/648376401.db2.gz VGUPIKWLFMVKHE-RDDDGLTNSA-N 1 0 396.221 2.017 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000419767416 648376692 /nfs/dbraw/zinc/37/66/92/648376692.db2.gz AOYIIDRQEFEXAB-GJZGRUSLSA-N 1 0 398.276 2.105 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1cc(F)cc(Br)c1 ZINC000419773510 648377328 /nfs/dbraw/zinc/37/73/28/648377328.db2.gz HNDPIYJZGSXVCP-ZIAGYGMSSA-N 1 0 388.281 2.255 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000419772024 648377358 /nfs/dbraw/zinc/37/73/58/648377358.db2.gz MVGVEBDPHOQKRZ-UHFFFAOYSA-N 1 0 396.329 2.103 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000419778070 648377737 /nfs/dbraw/zinc/37/77/37/648377737.db2.gz MAOGCHADWKVQDQ-XPTSAGLGSA-N 1 0 386.265 2.009 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)C1 ZINC000419778838 648377774 /nfs/dbraw/zinc/37/77/74/648377774.db2.gz MTVFYSDEPOJRNA-LSDHHAIUSA-N 1 0 398.276 2.105 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000419785508 648378646 /nfs/dbraw/zinc/37/86/46/648378646.db2.gz WNLNHWZVVCJGFX-CABCVRRESA-N 1 0 398.276 2.009 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419800759 648379510 /nfs/dbraw/zinc/37/95/10/648379510.db2.gz AERBCYVDZXWXFR-WOSRLPQWSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419801883 648380027 /nfs/dbraw/zinc/38/00/27/648380027.db2.gz AXWOXKMNCCDVCO-UKRRQHHQSA-N 1 0 396.329 2.002 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000419806195 648380509 /nfs/dbraw/zinc/38/05/09/648380509.db2.gz FAICNEWCFLPFTK-UHFFFAOYSA-N 1 0 392.656 2.391 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000419824331 648382345 /nfs/dbraw/zinc/38/23/45/648382345.db2.gz PNZFFXBIHYFHSX-BBRMVZONSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)NCCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000419831060 648383183 /nfs/dbraw/zinc/38/31/83/648383183.db2.gz KZWBJFQRUZCTBU-LLVKDONJSA-N 1 0 376.284 2.074 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000419833664 648383663 /nfs/dbraw/zinc/38/36/63/648383663.db2.gz ZCLQPEYTHQEUCJ-CABCVRRESA-N 1 0 396.329 2.229 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419831654 648383727 /nfs/dbraw/zinc/38/37/27/648383727.db2.gz UZUNNSADCFCKIH-NFAWXSAZSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419836639 648384052 /nfs/dbraw/zinc/38/40/52/648384052.db2.gz ZMRRYAKRANBRDE-XNRPHZJLSA-N 1 0 396.329 2.130 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000419836634 648384060 /nfs/dbraw/zinc/38/40/60/648384060.db2.gz ZMJRBOUJJVMECC-CJNGLKHVSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)NCCCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000419836940 648384168 /nfs/dbraw/zinc/38/41/68/648384168.db2.gz YWSVUNHISTUMQV-LBPRGKRZSA-N 1 0 390.311 2.464 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419848506 648384885 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C[C@H](NC(=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000419908547 648387912 /nfs/dbraw/zinc/38/79/12/648387912.db2.gz YPEDLBPIZSMMOS-WCQYABFASA-N 1 0 384.307 2.382 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000419931799 648389633 /nfs/dbraw/zinc/38/96/33/648389633.db2.gz DBPNMPSCCHENFX-BLLLJJGKSA-N 1 0 396.329 2.393 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000419944182 648390688 /nfs/dbraw/zinc/39/06/88/648390688.db2.gz IFBOFJHOFVCAOB-JTQLQIEISA-N 1 0 390.709 2.033 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000419947218 648390700 /nfs/dbraw/zinc/39/07/00/648390700.db2.gz WOTVKQALTBBKQR-ZDUSSCGKSA-N 1 0 396.329 2.431 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000419944183 648390810 /nfs/dbraw/zinc/39/08/10/648390810.db2.gz IFBOFJHOFVCAOB-SNVBAGLBSA-N 1 0 390.709 2.033 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419954355 648391042 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CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420013381 648396040 /nfs/dbraw/zinc/39/60/40/648396040.db2.gz JREJSVGZIOTUTQ-OAHLLOKOSA-N 1 0 384.318 2.287 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000420022038 648396441 /nfs/dbraw/zinc/39/64/41/648396441.db2.gz VJCPUNNZQXARQC-QGZVFWFLSA-N 1 0 382.302 2.292 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)ccc1Br ZINC000420025161 648396792 /nfs/dbraw/zinc/39/67/92/648396792.db2.gz BDBGIHKHMMXUON-HOTGVXAUSA-N 1 0 394.313 2.275 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1)C1CC1 ZINC000420060441 648398881 /nfs/dbraw/zinc/39/88/81/648398881.db2.gz KMPWHMNAVXUELF-INIZCTEOSA-N 1 0 394.313 2.041 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420065501 648399214 /nfs/dbraw/zinc/39/92/14/648399214.db2.gz VRCLJSJYYWVDCY-LBPRGKRZSA-N 1 0 388.331 2.103 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)NCC(C)(C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420073861 648399633 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/nfs/dbraw/zinc/40/61/04/648406104.db2.gz ZAOQZBMTSMXMLJ-LRDDRELGSA-N 1 0 394.313 2.054 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420152668 648406107 /nfs/dbraw/zinc/40/61/07/648406107.db2.gz PIESFLOOKKFAPT-UHFFFAOYSA-N 1 0 394.313 2.224 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000420174465 648407654 /nfs/dbraw/zinc/40/76/54/648407654.db2.gz WWRGCMUUMWNPMG-SLEUVZQESA-N 1 0 382.302 2.225 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420210653 648409209 /nfs/dbraw/zinc/40/92/09/648409209.db2.gz SIKGGVXTRFQAKU-IUODEOHRSA-N 1 0 382.302 2.041 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420210655 648409373 /nfs/dbraw/zinc/40/93/73/648409373.db2.gz SIKGGVXTRFQAKU-SWLSCSKDSA-N 1 0 382.302 2.041 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000420219622 648410381 /nfs/dbraw/zinc/41/03/81/648410381.db2.gz YTHYLKKOBUIIHQ-SWLSCSKDSA-N 1 0 394.313 2.184 20 0 GEADRO CC(C)Cc1ncnc(N2CC[NH2+]C[C@@](C)(F)C2)c1I ZINC000420271911 648412292 /nfs/dbraw/zinc/41/22/92/648412292.db2.gz WCQQPOKWWQXMOZ-CQSZACIVSA-N 1 0 392.260 2.418 20 0 GEADRO Ic1cccc2ncnc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c12 ZINC000420267907 648412423 /nfs/dbraw/zinc/41/24/23/648412423.db2.gz XBTYZBCKRIBWAK-WDEREUQCSA-N 1 0 380.233 2.280 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420345624 648413446 /nfs/dbraw/zinc/41/34/46/648413446.db2.gz AUZHQNCVWNDPCM-DFBGVHRSSA-N 1 0 399.276 2.445 20 0 GEADRO C[C@H]1CCN(CC(=O)Nc2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000420381759 648415228 /nfs/dbraw/zinc/41/52/28/648415228.db2.gz PBQSCSQOBFDGSC-RYUDHWBXSA-N 1 0 387.265 2.146 20 0 GEADRO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(I)cc1 ZINC000420381060 648415263 /nfs/dbraw/zinc/41/52/63/648415263.db2.gz RRPHJXRDCRRVBL-MRXNPFEDSA-N 1 0 399.276 2.305 20 0 GEADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)s1 ZINC000420447079 648417050 /nfs/dbraw/zinc/41/70/50/648417050.db2.gz IYQZKPWDIYCBRU-ZDUSSCGKSA-N 1 0 389.587 2.105 20 0 GEADRO [NH3+]CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C(F)F ZINC000420463664 648418182 /nfs/dbraw/zinc/41/81/82/648418182.db2.gz OFOTZWVAUMBZLZ-QMMMGPOBSA-N 1 0 377.638 2.363 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000420467824 648418844 /nfs/dbraw/zinc/41/88/44/648418844.db2.gz STPKYKSRXPMOON-ONGXEEELSA-N 1 0 386.848 2.015 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000420473588 648420405 /nfs/dbraw/zinc/42/04/05/648420405.db2.gz DNVWEMOLDJUBBV-OCCSQVGLSA-N 1 0 382.917 2.440 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420482453 648421461 /nfs/dbraw/zinc/42/14/61/648421461.db2.gz UHJFTRKLLZGXPP-UONOGXRCSA-N 1 0 390.933 2.361 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(Br)c1 ZINC000420740284 648446720 /nfs/dbraw/zinc/44/67/20/648446720.db2.gz QYAVDVMEIZHJQE-NSHDSACASA-N 1 0 377.304 2.172 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(I)cc1 ZINC000420741141 648447357 /nfs/dbraw/zinc/44/73/57/648447357.db2.gz SBMCBFYNMUENER-LBPRGKRZSA-N 1 0 394.278 2.006 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(F)c1Cl ZINC000420773764 648455878 /nfs/dbraw/zinc/45/58/78/648455878.db2.gz XTCJZAFKXRLSIN-JTQLQIEISA-N 1 0 395.859 2.291 20 0 GEADRO C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@H]2Cc2ccccc2Br)C1=O ZINC000420957377 648458962 /nfs/dbraw/zinc/45/89/62/648458962.db2.gz BLFYVPXPKBQTSV-OCCSQVGLSA-N 1 0 380.286 2.396 20 0 GEADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420977026 648461238 /nfs/dbraw/zinc/46/12/38/648461238.db2.gz RLHJGOGRJIOTRD-AWEZNQCLSA-N 1 0 383.286 2.135 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000420977317 648461259 /nfs/dbraw/zinc/46/12/59/648461259.db2.gz QKRHBIXFONOCHV-UHFFFAOYSA-N 1 0 396.329 2.366 20 0 GEADRO CC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000420986186 648461767 /nfs/dbraw/zinc/46/17/67/648461767.db2.gz MEKIWMZEUUPQPM-OLZOCXBDSA-N 1 0 391.693 2.053 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421194854 648469703 /nfs/dbraw/zinc/46/97/03/648469703.db2.gz CBCOGITZEOUVCZ-UHFFFAOYSA-N 1 0 396.329 2.384 20 0 GEADRO NC(=O)CC1(C[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000421354367 648488316 /nfs/dbraw/zinc/48/83/16/648488316.db2.gz WEKPSHFQBOKKIO-UHFFFAOYSA-N 1 0 377.080 2.352 20 0 GEADRO CSc1cc2c(cc1C[N@@H+]1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1)OCCO2 ZINC000421386656 648489377 /nfs/dbraw/zinc/48/93/77/648489377.db2.gz HXSARQQEYBPREY-QWRGUYRKSA-N 1 0 376.400 2.275 20 0 GEADRO COC1([C@H](C)[NH2+]Cc2ncc(I)s2)CCOCC1 ZINC000421406902 648490358 /nfs/dbraw/zinc/49/03/58/648490358.db2.gz VBMUIKUAKXFMJQ-VIFPVBQESA-N 1 0 382.267 2.421 20 0 GEADRO CCOc1c(Br)cc(C[N@H+](C[C@H](O)CO)C(C)C)cc1OC ZINC000421413155 648491028 /nfs/dbraw/zinc/49/10/28/648491028.db2.gz VQWWWIUOEKYNOE-ZDUSSCGKSA-N 1 0 376.291 2.420 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000421709099 648506011 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CN(CC(=O)N1c2ccccc2C[C@@H]1C[NH3+])C(=O)c1ccc(Br)o1 ZINC000422611135 648562125 /nfs/dbraw/zinc/56/21/25/648562125.db2.gz AHESQBPUWBJOSK-GFCCVEGCSA-N 1 0 392.253 2.031 20 0 GEADRO CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)s1 ZINC000422618958 648563047 /nfs/dbraw/zinc/56/30/47/648563047.db2.gz RZODXJFHETWCRY-ZIAGYGMSSA-N 1 0 382.482 2.248 20 0 GEADRO CC(C)[C@H](C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000422932852 648577729 /nfs/dbraw/zinc/57/77/29/648577729.db2.gz GYGLWZPGWFGRCV-GWCFXTLKSA-N 1 0 381.420 2.085 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422954557 648578235 /nfs/dbraw/zinc/57/82/35/648578235.db2.gz IZXNFDPGUMLIPG-DZGCQCFKSA-N 1 0 382.291 2.320 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422962024 648578915 /nfs/dbraw/zinc/57/89/15/648578915.db2.gz BRPLUCAYOSAVSO-LBPRGKRZSA-N 1 0 384.307 2.395 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422971700 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2.239 20 0 GEADRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423154848 648584976 /nfs/dbraw/zinc/58/49/76/648584976.db2.gz KDKHQUGLTKWETJ-WWGRRREGSA-N 1 0 389.309 2.096 20 0 GEADRO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1c(Br)cncc1Br ZINC000423155071 648585049 /nfs/dbraw/zinc/58/50/49/648585049.db2.gz ISZKUZWWZLCIEE-FWDPORAESA-N 1 0 393.123 2.449 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)CC1 ZINC000423164762 648585491 /nfs/dbraw/zinc/58/54/91/648585491.db2.gz ACQQTRJCUSQBJV-JTQLQIEISA-N 1 0 388.331 2.055 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])s1 ZINC000423158447 648585615 /nfs/dbraw/zinc/58/56/15/648585615.db2.gz WVZYANDJHCAKHK-CJNGLKHVSA-N 1 0 389.587 2.057 20 0 GEADRO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1nn(C)cc1I ZINC000423164911 648585667 /nfs/dbraw/zinc/58/56/67/648585667.db2.gz TYZUWHWNZFEFHT-RYUDHWBXSA-N 1 0 376.286 2.425 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1Br ZINC000423164494 648585705 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GEADRO CC[C@H](CN(C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000423475143 648592163 /nfs/dbraw/zinc/59/21/63/648592163.db2.gz RPSZVZJECBFVJF-VXGBXAGGSA-N 1 0 388.295 2.169 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000423509055 648593752 /nfs/dbraw/zinc/59/37/52/648593752.db2.gz LFGVVBCHLXBCFO-MRXNPFEDSA-N 1 0 394.313 2.137 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC000423513729 648594111 /nfs/dbraw/zinc/59/41/11/648594111.db2.gz RXORNUPNKDDLBI-HUUCEWRRSA-N 1 0 398.276 2.201 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000423516451 648594177 /nfs/dbraw/zinc/59/41/77/648594177.db2.gz UAURNSQRFBOJNO-INIZCTEOSA-N 1 0 396.329 2.166 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423570304 648596061 /nfs/dbraw/zinc/59/60/61/648596061.db2.gz UGDHORQPPUMJIJ-SJCJKPOMSA-N 1 0 382.302 2.166 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423588963 648596550 /nfs/dbraw/zinc/59/65/50/648596550.db2.gz DKNICGAZFNNPNW-GOEBONIOSA-N 1 0 394.313 2.008 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423588978 648596723 /nfs/dbraw/zinc/59/67/23/648596723.db2.gz DKZGNSREYIHDBO-HIFRSBDPSA-N 1 0 396.329 2.241 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423652009 648598087 /nfs/dbraw/zinc/59/80/87/648598087.db2.gz WUEVCZIMMVCNHT-UGFHNGPFSA-N 1 0 382.302 2.152 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000423649496 648598152 /nfs/dbraw/zinc/59/81/52/648598152.db2.gz PLASBDBQNJZGQI-MRXNPFEDSA-N 1 0 394.313 2.105 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1C)[C@H]1CC[NH2+]C1 ZINC000423658646 648598566 /nfs/dbraw/zinc/59/85/66/648598566.db2.gz GIMHABNMNVTURX-INIZCTEOSA-N 1 0 396.329 2.316 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000423662565 648599001 /nfs/dbraw/zinc/59/90/01/648599001.db2.gz MZANFXQZAIZSBP-AWEZNQCLSA-N 1 0 382.302 2.008 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423697104 648599879 /nfs/dbraw/zinc/59/98/79/648599879.db2.gz MMLIVPIUACMCEG-CVEARBPZSA-N 1 0 394.313 2.069 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N(C)[C@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000423715928 648600425 /nfs/dbraw/zinc/60/04/25/648600425.db2.gz HZTIPOWSTITXFJ-NEPJUHHUSA-N 1 0 390.311 2.415 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000423745873 648601345 /nfs/dbraw/zinc/60/13/45/648601345.db2.gz OPNNHILUVJZPSB-CQSZACIVSA-N 1 0 382.302 2.008 20 0 GEADRO COC[C@]1(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]C1 ZINC000423811855 648601951 /nfs/dbraw/zinc/60/19/51/648601951.db2.gz QCWHVCQUFBMRJP-INIZCTEOSA-N 1 0 379.258 2.199 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1CCCC1 ZINC000423938017 648603536 /nfs/dbraw/zinc/60/35/36/648603536.db2.gz IGJORRRISHHAEO-DZGCQCFKSA-N 1 0 394.313 2.436 20 0 GEADRO CN(C(=O)c1ncc(Br)cc1Br)[C@@H](C[NH3+])C1CC1 ZINC000423941026 648603610 /nfs/dbraw/zinc/60/36/10/648603610.db2.gz BUZZLOFMQQXOOR-JTQLQIEISA-N 1 0 377.080 2.416 20 0 GEADRO CCn1cc(Br)cc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423958220 648605005 /nfs/dbraw/zinc/60/50/05/648605005.db2.gz WHCHIBODCGFCLB-UHFFFAOYSA-N 1 0 383.334 2.217 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000423960056 648605726 /nfs/dbraw/zinc/60/57/26/648605726.db2.gz RVAYFYGYPATBDB-LLVKDONJSA-N 1 0 386.237 2.271 20 0 GEADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CCn1cc(Br)ccc1=O ZINC000423975780 648606414 /nfs/dbraw/zinc/60/64/14/648606414.db2.gz MDYAVFDLZSLYEO-INIZCTEOSA-N 1 0 392.297 2.380 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)c1csc(-c2ccc(Br)s2)n1 ZINC000423992667 648607291 /nfs/dbraw/zinc/60/72/91/648607291.db2.gz PFTNLGWRRUVPFD-MRVPVSSYSA-N 1 0 388.312 2.352 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423995153 648607384 /nfs/dbraw/zinc/60/73/84/648607384.db2.gz DGRMBVNQEKSAQJ-CQSZACIVSA-N 1 0 378.274 2.285 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000423995360 648607493 /nfs/dbraw/zinc/60/74/93/648607493.db2.gz DPYOZBVKEMHYAA-DOTOQJQBSA-N 1 0 395.297 2.377 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000423995374 648607911 /nfs/dbraw/zinc/60/79/11/648607911.db2.gz DPYOZBVKEMHYAA-WBVHZDCISA-N 1 0 395.297 2.377 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Br ZINC000424001111 648608612 /nfs/dbraw/zinc/60/86/12/648608612.db2.gz MULLHRMCSSFEMG-CABCVRRESA-N 1 0 398.301 2.217 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)COc3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000424006078 648609180 /nfs/dbraw/zinc/60/91/80/648609180.db2.gz TVDSOFDYONDBPQ-AWEZNQCLSA-N 1 0 384.267 2.286 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(I)c1 ZINC000424033732 648610291 /nfs/dbraw/zinc/61/02/91/648610291.db2.gz YKVUPGYKJSPQDI-HNNXBMFYSA-N 1 0 386.233 2.268 20 0 GEADRO COC(=O)CC1CC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000424281408 648622036 /nfs/dbraw/zinc/62/20/36/648622036.db2.gz NLRNFVXVKWABOU-ABIUDSBCSA-N 1 0 381.270 2.486 20 0 GEADRO COC(=O)CC1CC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000424281410 648622774 /nfs/dbraw/zinc/62/27/74/648622774.db2.gz NLRNFVXVKWABOU-HGMXIMQMSA-N 1 0 381.270 2.486 20 0 GEADRO CCCc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424390412 648626011 /nfs/dbraw/zinc/62/60/11/648626011.db2.gz KKNXSLRUOQSSQO-GOEBONIOSA-N 1 0 382.917 2.141 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424391361 648626623 /nfs/dbraw/zinc/62/66/23/648626623.db2.gz MTSBXDMDKPYXIO-GFCCVEGCSA-N 1 0 386.901 2.279 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000424690154 648639707 /nfs/dbraw/zinc/63/97/07/648639707.db2.gz XVJUAYSKQIEVEN-UHFFFAOYSA-N 1 0 385.302 2.343 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000424741910 648643827 /nfs/dbraw/zinc/64/38/27/648643827.db2.gz RIRWSJSMPQNEAQ-ZDUSSCGKSA-N 1 0 385.302 2.343 20 0 GEADRO COc1ncc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1Br ZINC000424850279 648653141 /nfs/dbraw/zinc/65/31/41/648653141.db2.gz IZLMCGRUQZDVIS-GFCCVEGCSA-N 1 0 398.301 2.178 20 0 GEADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000425436691 648677726 /nfs/dbraw/zinc/67/77/26/648677726.db2.gz XAYARWJIIMUCCD-DLBZAZTESA-N 1 0 384.567 2.360 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425815724 648698013 /nfs/dbraw/zinc/69/80/13/648698013.db2.gz DRGBJZVOXFSMER-XHDPSFHLSA-N 1 0 398.276 2.388 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(NS(C)(=O)=O)cc1OC ZINC000427054761 648721238 /nfs/dbraw/zinc/72/12/38/648721238.db2.gz ZYMFCPMVGFJOTP-UHFFFAOYSA-N 1 0 389.543 2.080 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]CCNS(=O)(=O)NC(C)C)cc1OC ZINC000428562721 648737133 /nfs/dbraw/zinc/73/71/33/648737133.db2.gz GZTJVRJZLFFVJW-UHFFFAOYSA-N 1 0 393.937 2.059 20 0 GEADRO C[C@@H](CNC(=O)NC[C@H](CO)Cc1ccccc1Br)[N@H+](C)C1CC1 ZINC000428579090 648738379 /nfs/dbraw/zinc/73/83/79/648738379.db2.gz HZFKPGVWGQVPDQ-UONOGXRCSA-N 1 0 398.345 2.382 20 0 GEADRO O=C(CSc1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428593850 648740205 /nfs/dbraw/zinc/74/02/05/648740205.db2.gz CYNUVTGHYVOJAA-CQSZACIVSA-N 1 0 381.929 2.103 20 0 GEADRO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000428594339 648740518 /nfs/dbraw/zinc/74/05/18/648740518.db2.gz DNLDZISRAWKKSA-HOCLYGCPSA-N 1 0 396.329 2.136 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000428619065 648741751 /nfs/dbraw/zinc/74/17/51/648741751.db2.gz NDJIKZBOPMKSJF-CZUORRHYSA-N 1 0 396.329 2.401 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000428620644 648741785 /nfs/dbraw/zinc/74/17/85/648741785.db2.gz LUANRBGUKIPCPX-FRFSOERESA-N 1 0 398.345 2.382 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)CCC(=O)c2ccc(I)cc2)C1 ZINC000429076674 648743634 /nfs/dbraw/zinc/74/36/34/648743634.db2.gz SZWPRGYKKJVQAI-LLVKDONJSA-N 1 0 386.233 2.061 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000429137012 648746002 /nfs/dbraw/zinc/74/60/02/648746002.db2.gz YBWLZXOYKVJGPK-RCBQFDQVSA-N 1 0 396.329 2.447 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000429137011 648746088 /nfs/dbraw/zinc/74/60/88/648746088.db2.gz YBWLZXOYKVJGPK-MAZHCROVSA-N 1 0 396.329 2.447 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000429171240 648748041 /nfs/dbraw/zinc/74/80/41/648748041.db2.gz MVRDJIAQTYGVTJ-GFCCVEGCSA-N 1 0 376.507 2.286 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000429272146 648748920 /nfs/dbraw/zinc/74/89/20/648748920.db2.gz CHQUEYDMCJGHMM-QGZVFWFLSA-N 1 0 380.330 2.436 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000429294425 648749784 /nfs/dbraw/zinc/74/97/84/648749784.db2.gz MZSXGBHWKNJODG-CABZTGNLSA-N 1 0 398.248 2.415 20 0 GEADRO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@H]1C[NH2+]CCO1 ZINC000429886991 648757784 /nfs/dbraw/zinc/75/77/84/648757784.db2.gz PGDHLPVHUDNCAP-OAHLLOKOSA-N 1 0 382.247 2.130 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CSc1cccc(Br)c1 ZINC000429897499 648758291 /nfs/dbraw/zinc/75/82/91/648758291.db2.gz LMRRJFKWACUSIM-OAHLLOKOSA-N 1 0 375.332 2.360 20 0 GEADRO CC1CC[NH+](CC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000430125027 648759598 /nfs/dbraw/zinc/75/95/98/648759598.db2.gz SLBYQDOVLWTXAP-MRXNPFEDSA-N 1 0 383.330 2.448 20 0 GEADRO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430695500 648765422 /nfs/dbraw/zinc/76/54/22/648765422.db2.gz HOWVDVMTOYFJDY-HZMBPMFUSA-N 1 0 377.304 2.316 20 0 GEADRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430705445 648765516 /nfs/dbraw/zinc/76/55/16/648765516.db2.gz ALSUOSUPZDKKJH-KWBADKCTSA-N 1 0 379.320 2.154 20 0 GEADRO CC[NH+](CC)C[C@@H](C)N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430711087 648765720 /nfs/dbraw/zinc/76/57/20/648765720.db2.gz VMUQTVGNBYQDDG-NEPJUHHUSA-N 1 0 392.363 2.477 20 0 GEADRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430741509 648767465 /nfs/dbraw/zinc/76/74/65/648767465.db2.gz JGKMAMDPURJJRS-LLVKDONJSA-N 1 0 391.331 2.300 20 0 GEADRO Cc1csc(NC(=O)CN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435688315 648785628 /nfs/dbraw/zinc/78/56/28/648785628.db2.gz OBCIQKUFELAOPD-CYBMUJFWSA-N 1 0 377.539 2.491 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000437989545 648803049 /nfs/dbraw/zinc/80/30/49/648803049.db2.gz DBPZYEFXSAAJEY-SNVBAGLBSA-N 1 0 389.930 2.482 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000438792393 648804494 /nfs/dbraw/zinc/80/44/94/648804494.db2.gz MNMGYXKFYVDQGG-LLVKDONJSA-N 1 0 386.265 2.469 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000440746912 648812055 /nfs/dbraw/zinc/81/20/55/648812055.db2.gz KQDUVXQQSDCCSV-OBJOEFQTSA-N 1 0 376.906 2.112 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000440749307 648812066 /nfs/dbraw/zinc/81/20/66/648812066.db2.gz QNHPCRRQGXUALY-CYBMUJFWSA-N 1 0 379.707 2.477 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000440749310 648812083 /nfs/dbraw/zinc/81/20/83/648812083.db2.gz QNHPCRRQGXUALY-ZDUSSCGKSA-N 1 0 379.707 2.477 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000440758156 648812440 /nfs/dbraw/zinc/81/24/40/648812440.db2.gz LKKIMBXQFWTPPR-MNOVXSKESA-N 1 0 377.304 2.124 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000440760080 648812716 /nfs/dbraw/zinc/81/27/16/648812716.db2.gz NOIJDLJMFDQSKK-ZDUSSCGKSA-N 1 0 376.906 2.033 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000440759711 648812737 /nfs/dbraw/zinc/81/27/37/648812737.db2.gz XZLHBCOLODEPQX-AWEZNQCLSA-N 1 0 390.933 2.423 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440760068 648812832 /nfs/dbraw/zinc/81/28/32/648812832.db2.gz NMENCHONMLFMCC-UONOGXRCSA-N 1 0 390.933 2.422 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000440805584 648814051 /nfs/dbraw/zinc/81/40/51/648814051.db2.gz QAVLDXLSMDYXII-LBPRGKRZSA-N 1 0 382.507 2.437 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)C[C@H]1[NH3+] ZINC000440845364 648816231 /nfs/dbraw/zinc/81/62/31/648816231.db2.gz RHPGVNOENHHTON-OIBJUYFYSA-N 1 0 387.221 2.436 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000440947116 648817488 /nfs/dbraw/zinc/81/74/88/648817488.db2.gz XICMBHHYOHGJRT-DGCLKSJQSA-N 1 0 398.301 2.337 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)NCCc2ccccc2Br)CC1(C)C ZINC000440986447 648817811 /nfs/dbraw/zinc/81/78/11/648817811.db2.gz VISFBRJUOIQLJR-UHFFFAOYSA-N 1 0 397.361 2.317 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)NCc2cc(Br)cs2)CC1(C)C ZINC000440980475 648817892 /nfs/dbraw/zinc/81/78/92/648817892.db2.gz MXOIELGEUNTILO-UHFFFAOYSA-N 1 0 389.363 2.336 20 0 GEADRO C[C@H](C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)CC1CCOCC1 ZINC000441328338 648825370 /nfs/dbraw/zinc/82/53/70/648825370.db2.gz CFVPQRXHGJVGSL-ZDUSSCGKSA-N 1 0 376.469 2.286 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)c1cccc(Br)c1I ZINC000441607048 648832592 /nfs/dbraw/zinc/83/25/92/648832592.db2.gz BXXPYUNZKZVQOU-ZETCQYMHSA-N 1 0 397.054 2.378 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000442142941 648838853 /nfs/dbraw/zinc/83/88/53/648838853.db2.gz WLNMSKGOUOCLMC-WCQYABFASA-N 1 0 398.301 2.385 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442621152 648846607 /nfs/dbraw/zinc/84/66/07/648846607.db2.gz AUTKQBMPJLUPIP-CHWSQXEVSA-N 1 0 382.302 2.155 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000442640627 648847580 /nfs/dbraw/zinc/84/75/80/648847580.db2.gz BKIUWWZQHONXHM-ZDUSSCGKSA-N 1 0 385.295 2.464 20 0 GEADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443312147 648871750 /nfs/dbraw/zinc/87/17/50/648871750.db2.gz NGCWDPGUTSZHEX-RKDXNWHRSA-N 1 0 378.292 2.022 20 0 GEADRO Nc1ncc(Cl)cc1S(=O)(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000443689348 648884142 /nfs/dbraw/zinc/88/41/42/648884142.db2.gz WZDCRSUKGRVUHA-HNNXBMFYSA-N 1 0 380.901 2.433 20 0 GEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cnc3n2CCC3)[C@@H]1c1cccs1 ZINC000548122487 651064741 /nfs/dbraw/zinc/06/47/41/651064741.db2.gz UMFAUEUXQUJABX-CXAGYDPISA-N 1 0 380.539 2.252 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000548865456 651088010 /nfs/dbraw/zinc/08/80/10/651088010.db2.gz MOAZWSRLFNSKDE-LBPRGKRZSA-N 1 0 381.274 2.166 20 0 GEADRO CSc1cccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000548993840 651091217 /nfs/dbraw/zinc/09/12/17/651091217.db2.gz RVDIAVVPDSZOBH-QZTJIDSGSA-N 1 0 384.567 2.455 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1Cl ZINC000549039201 651091732 /nfs/dbraw/zinc/09/17/32/651091732.db2.gz FRILSGKILKRVCS-MAZHCROVSA-N 1 0 388.892 2.305 20 0 GEADRO CCN1CC[C@@H]([NH2+]CCCS(=O)(=O)NC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549479131 651097642 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2.251 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000642700448 651473996 /nfs/dbraw/zinc/47/39/96/651473996.db2.gz JANAKNGOQUXMAE-GFCCVEGCSA-N 1 0 398.326 2.052 20 0 GEADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1c(Cl)cccc1Cl ZINC000642756882 651474369 /nfs/dbraw/zinc/47/43/69/651474369.db2.gz SVUSGIBDTJCPNU-XUJVJEKNSA-N 1 0 384.307 2.424 20 0 GEADRO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000642755827 651474406 /nfs/dbraw/zinc/47/44/06/651474406.db2.gz AHLVQJHIRNIXSB-HNNXBMFYSA-N 1 0 396.329 2.101 20 0 GEADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000717134601 651474801 /nfs/dbraw/zinc/47/48/01/651474801.db2.gz ROUNTYYIVPTDLL-STQMWFEESA-N 1 0 382.473 2.046 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)[C@H](C)O ZINC000717318567 651475174 /nfs/dbraw/zinc/47/51/74/651475174.db2.gz RWGIATOELWICMO-CPCISQLKSA-N 1 0 383.080 2.052 20 0 GEADRO COc1c(Br)cc(C[NH2+]C[C@H](O)[C@@H](C)O)cc1Br ZINC000717318526 651475102 /nfs/dbraw/zinc/47/51/02/651475102.db2.gz RDSRXSMBVNGMGE-HQJQHLMTSA-N 1 0 383.080 2.052 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(I)c(O)c1 ZINC000718962686 651475342 /nfs/dbraw/zinc/47/53/42/651475342.db2.gz RBOJVPGOUJKFSJ-NWDGAFQWSA-N 1 0 386.233 2.306 20 0 GEADRO Ic1cnc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)nc1 ZINC000720406044 651475932 /nfs/dbraw/zinc/47/59/32/651475932.db2.gz LTZBRKIYFIVWGV-GHMZBOCLSA-N 1 0 376.267 2.073 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000642947265 651476033 /nfs/dbraw/zinc/47/60/33/651476033.db2.gz FFYUVXOYGYJYAX-HNNXBMFYSA-N 1 0 377.710 2.464 20 0 GEADRO O=C(NC1CC[NH2+]CC1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000561190850 651476699 /nfs/dbraw/zinc/47/66/99/651476699.db2.gz FNCCSQLKJSPHIG-UHFFFAOYSA-N 1 0 395.345 2.465 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642981869 651476720 /nfs/dbraw/zinc/47/67/20/651476720.db2.gz KAHGRQOITZZYOD-MRXNPFEDSA-N 1 0 396.329 2.444 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3Cl)C2)nn1 ZINC000643080969 651477503 /nfs/dbraw/zinc/47/75/03/651477503.db2.gz RNDKNCPMHWHVOC-CYBMUJFWSA-N 1 0 383.283 2.319 20 0 GEADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1(Cl)CC1 ZINC000721811215 651477617 /nfs/dbraw/zinc/47/76/17/651477617.db2.gz CRFIQIWHLNEJOM-CHWSQXEVSA-N 1 0 380.938 2.160 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000643095972 651477760 /nfs/dbraw/zinc/47/77/60/651477760.db2.gz XVEBZAQPVPQZGC-HZPDHXFCSA-N 1 0 376.881 2.386 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000643092647 651477818 /nfs/dbraw/zinc/47/78/18/651477818.db2.gz QRXFJRQTRNPKCR-SNPRPXQTSA-N 1 0 385.555 2.098 20 0 GEADRO CC[C@H]1C[N@H+](C)CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000561613562 651481762 /nfs/dbraw/zinc/48/17/62/651481762.db2.gz GQFHSUZHVFHYPD-NSHDSACASA-N 1 0 388.331 2.135 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000561613561 651481815 /nfs/dbraw/zinc/48/18/15/651481815.db2.gz GQFHSUZHVFHYPD-LLVKDONJSA-N 1 0 388.331 2.135 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1ccc(Br)o1 ZINC000725906962 651482428 /nfs/dbraw/zinc/48/24/28/651482428.db2.gz JIYAPOZFAZMHNB-RCQQVGEISA-N 1 0 398.301 2.114 20 0 GEADRO COC(=O)CCN(CCN1CCOCC1)Cc1sccc1Br ZINC000561915999 651485125 /nfs/dbraw/zinc/48/51/25/651485125.db2.gz FQDZULFVGNHYPV-UHFFFAOYSA-N 1 0 391.331 2.208 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Br)s1 ZINC000562062301 651487865 /nfs/dbraw/zinc/48/78/65/651487865.db2.gz PCZKVEGTRUBISP-GHMZBOCLSA-N 1 0 396.376 2.432 20 0 GEADRO CN(CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)S(=O)(=O)c1cccs1 ZINC000643475108 651488558 /nfs/dbraw/zinc/48/85/58/651488558.db2.gz CELYYNUEFXUWFD-DLBZAZTESA-N 1 0 379.551 2.452 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@@H]3COCCN3)nc12 ZINC000643480758 651488606 /nfs/dbraw/zinc/48/86/06/651488606.db2.gz BKMBAWGGIOKDOL-CZUORRHYSA-N 1 0 381.318 2.304 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CCC[C@@H]2c2ccccc2Br)nn1 ZINC000643510978 651489485 /nfs/dbraw/zinc/48/94/85/651489485.db2.gz GLHNMLGDJLLKNJ-OAHLLOKOSA-N 1 0 378.274 2.367 20 0 GEADRO C[C@H](NC(=O)c1ncc(I)s1)C1=CC[N@H+](C)CC1 ZINC000603427222 651490044 /nfs/dbraw/zinc/49/00/44/651490044.db2.gz BNTAPZYZLARPNM-QMMMGPOBSA-N 1 0 377.251 2.128 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)c1ncc(I)s1 ZINC000603429850 651490614 /nfs/dbraw/zinc/49/06/14/651490614.db2.gz SCSNXENEBBJUJL-UHFFFAOYSA-N 1 0 379.267 2.306 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000643617697 651490659 /nfs/dbraw/zinc/49/06/59/651490659.db2.gz MUPGENKZUHIXJC-CYBMUJFWSA-N 1 0 378.274 2.237 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ncc(I)s2)CC1 ZINC000603431795 651491352 /nfs/dbraw/zinc/49/13/52/651491352.db2.gz OCDHGYKDBSIWLU-SECBINFHSA-N 1 0 379.267 2.304 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ncc(I)s1 ZINC000603433877 651491716 /nfs/dbraw/zinc/49/17/16/651491716.db2.gz JGOGCSIWXUQLKV-NXEZZACHSA-N 1 0 391.278 2.447 20 0 GEADRO CCc1nncn1CC[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000562315175 651491754 /nfs/dbraw/zinc/49/17/54/651491754.db2.gz GFCUBYMQQHAUOS-AWEZNQCLSA-N 1 0 385.921 2.143 20 0 GEADRO CN1C(=O)C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)c2ccccc21 ZINC000562572096 651496867 /nfs/dbraw/zinc/49/68/67/651496867.db2.gz UEYIUMBCLVLSAN-CQSZACIVSA-N 1 0 376.254 2.308 20 0 GEADRO Cc1ccc(OCc2nc(C[NH2+]CCCN(C)S(C)(=O)=O)cs2)cc1 ZINC000603512163 651498589 /nfs/dbraw/zinc/49/85/89/651498589.db2.gz SWPAODOFECCHMF-UHFFFAOYSA-N 1 0 383.539 2.402 20 0 GEADRO COc1cc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)cc(Br)c1O ZINC000562893911 651503204 /nfs/dbraw/zinc/50/32/04/651503204.db2.gz KBZAYENVKCFIGX-LBPRGKRZSA-N 1 0 391.331 2.463 20 0 GEADRO C[NH+](C)CCOCCNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000563063824 651506255 /nfs/dbraw/zinc/50/62/55/651506255.db2.gz SZYOXCWGFWMBJD-UHFFFAOYSA-N 1 0 399.738 2.100 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000563075407 651507887 /nfs/dbraw/zinc/50/78/87/651507887.db2.gz GDEGAYSIVDLIJI-YJBOKZPZSA-N 1 0 394.313 2.236 20 0 GEADRO CN(C)c1cccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000563090209 651509156 /nfs/dbraw/zinc/50/91/56/651509156.db2.gz BPCNQVQTOIQEHW-KRWDZBQOSA-N 1 0 377.286 2.400 20 0 GEADRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCc2cc(Br)ccc2C1 ZINC000563097917 651509493 /nfs/dbraw/zinc/50/94/93/651509493.db2.gz IBIPWBSCSOJVRJ-LBPRGKRZSA-N 1 0 375.270 2.448 20 0 GEADRO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCc2cc(Br)ccc2C1 ZINC000563097812 651509596 /nfs/dbraw/zinc/50/95/96/651509596.db2.gz GLXBITFVEVRHDC-UHFFFAOYSA-N 1 0 390.285 2.164 20 0 GEADRO CCOc1ccc(NC(=S)NNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727065043 651509809 /nfs/dbraw/zinc/50/98/09/651509809.db2.gz RCVJSAREJSIBTJ-UHFFFAOYSA-N 1 0 383.587 2.339 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000563131236 651510640 /nfs/dbraw/zinc/51/06/40/651510640.db2.gz ZUPMEYZXNFZGCQ-UHFFFAOYSA-N 1 0 384.318 2.126 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000563133005 651511344 /nfs/dbraw/zinc/51/13/44/651511344.db2.gz YPCVUJKAZJMLMN-DTWKUNHWSA-N 1 0 388.262 2.492 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)COc1cccc(Br)c1 ZINC000563137959 651511876 /nfs/dbraw/zinc/51/18/76/651511876.db2.gz LTBLZRITKUHETO-BNOWGMLFSA-N 1 0 380.229 2.327 20 0 GEADRO C[C@H](NC(=S)NNC(=S)NCC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000727088789 651512587 /nfs/dbraw/zinc/51/25/87/651512587.db2.gz JYSPUERRUVBQAC-VIFPVBQESA-N 1 0 394.397 2.459 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000643971035 651512863 /nfs/dbraw/zinc/51/28/63/651512863.db2.gz STHVTYNVBRTEAM-QWHCGFSZSA-N 1 0 385.555 2.098 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000727161291 651513789 /nfs/dbraw/zinc/51/37/89/651513789.db2.gz FOKDOMOKUKDLCE-TZMCWYRMSA-N 1 0 376.954 2.024 20 0 GEADRO CC(C)NC(=O)CNC(=S)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000727277967 651517490 /nfs/dbraw/zinc/51/74/90/651517490.db2.gz RMXYCALSRQNYLC-UHFFFAOYSA-N 1 0 380.583 2.089 20 0 GEADRO O=C(CCOC1C[NH2+]C1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000644041495 651517887 /nfs/dbraw/zinc/51/78/87/651517887.db2.gz NSRFYFKFPZYLGA-UHFFFAOYSA-N 1 0 379.258 2.011 20 0 GEADRO O=C(CCOC1C[NH2+]C1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000644053656 651518399 /nfs/dbraw/zinc/51/83/99/651518399.db2.gz WKDSSUONYBJASN-UHFFFAOYSA-N 1 0 393.285 2.205 20 0 GEADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC(n2cc(Br)cn2)CC1 ZINC000644051973 651518462 /nfs/dbraw/zinc/51/84/62/651518462.db2.gz YCLBSNCZKSSODH-LBPRGKRZSA-N 1 0 377.233 2.054 20 0 GEADRO COc1cncc(S(=O)(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000563257381 651520812 /nfs/dbraw/zinc/52/08/12/651520812.db2.gz KVCHLTLAFVYTCS-AWEZNQCLSA-N 1 0 383.901 2.367 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000563496633 651526989 /nfs/dbraw/zinc/52/69/89/651526989.db2.gz HZKJRONHSPYWON-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000605047447 651528000 /nfs/dbraw/zinc/52/80/00/651528000.db2.gz KBXZFNCQIMBCBK-UHFFFAOYSA-N 1 0 397.361 2.317 20 0 GEADRO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000563531908 651530414 /nfs/dbraw/zinc/53/04/14/651530414.db2.gz RCAHLRVSYNFTHW-ZWNOBZJWSA-N 1 0 380.495 2.118 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644297551 651531778 /nfs/dbraw/zinc/53/17/78/651531778.db2.gz AWCXPEVQYGGTJJ-KCQAQPDRSA-N 1 0 388.917 2.078 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000563562965 651532551 /nfs/dbraw/zinc/53/25/51/651532551.db2.gz BWMYPQTUQOIQHY-AAEUAGOBSA-N 1 0 398.301 2.217 20 0 GEADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000605246226 651533355 /nfs/dbraw/zinc/53/33/55/651533355.db2.gz HVGNBWYAAVDZSC-UHFFFAOYSA-N 1 0 387.933 2.473 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000605439187 651537685 /nfs/dbraw/zinc/53/76/85/651537685.db2.gz XRXMLLHOFXNFEK-NSHDSACASA-N 1 0 388.331 2.231 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCc2nc[nH]c2C1)COc1cc(F)cc(Br)c1 ZINC000563705164 651538727 /nfs/dbraw/zinc/53/87/27/651538727.db2.gz DRBOADAWWHSZCL-OLZOCXBDSA-N 1 0 384.249 2.198 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)s1 ZINC000728171440 651539228 /nfs/dbraw/zinc/53/92/28/651539228.db2.gz JZBOXGHYLWUBRW-LBPRGKRZSA-N 1 0 380.413 2.238 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000728170967 651539268 /nfs/dbraw/zinc/53/92/68/651539268.db2.gz CRLRGXVVDFHDEZ-GFCCVEGCSA-N 1 0 396.412 2.117 20 0 GEADRO CN(C1CC1)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000605589165 651541065 /nfs/dbraw/zinc/54/10/65/651541065.db2.gz QCGHFQZJBOXWTI-AWEZNQCLSA-N 1 0 377.432 2.208 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000606020320 651548318 /nfs/dbraw/zinc/54/83/18/651548318.db2.gz WMMVNUPELZGXOA-MRVPVSSYSA-N 1 0 392.681 2.116 20 0 GEADRO CC1(C)COCCN1CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000644546040 651553141 /nfs/dbraw/zinc/55/31/41/651553141.db2.gz NIDZCEJFUWWSCI-CYBMUJFWSA-N 1 0 377.312 2.434 20 0 GEADRO COc1ncc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC000644548788 651553645 /nfs/dbraw/zinc/55/36/45/651553645.db2.gz VYSRZEUDXDGZMT-UHFFFAOYSA-N 1 0 377.242 2.210 20 0 GEADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000564064568 651554049 /nfs/dbraw/zinc/55/40/49/651554049.db2.gz UTUHYIYDZHQZKG-ABAIWWIYSA-N 1 0 377.286 2.476 20 0 GEADRO C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000564161144 651558574 /nfs/dbraw/zinc/55/85/74/651558574.db2.gz SNBIWYPWYBINMB-GJZGRUSLSA-N 1 0 399.329 2.379 20 0 GEADRO O=C(CC[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)Nc1cccc(Br)c1 ZINC000644617972 651558683 /nfs/dbraw/zinc/55/86/83/651558683.db2.gz ROTWUEMLNMVZCK-LBPRGKRZSA-N 1 0 380.286 2.378 20 0 GEADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000644631143 651559672 /nfs/dbraw/zinc/55/96/72/651559672.db2.gz DUWVABBTMKASJL-ZFWWWQNUSA-N 1 0 391.295 2.102 20 0 GEADRO O[C@@H](C[NH2+]CC1(N2CCOCC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000644633085 651559718 /nfs/dbraw/zinc/55/97/18/651559718.db2.gz OXDPVSFAQMNVSU-ZDUSSCGKSA-N 1 0 375.296 2.188 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000564198090 651560560 /nfs/dbraw/zinc/56/05/60/651560560.db2.gz CWPRJTOMBORRMW-INIZCTEOSA-N 1 0 398.345 2.267 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H](O)CNCc2cc(F)c(F)cc2Br)C[C@H](C)O1 ZINC000644646181 651560824 /nfs/dbraw/zinc/56/08/24/651560824.db2.gz WNUUJXFZJLUJQU-LOWVWBTDSA-N 1 0 393.272 2.287 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C1(S(C)(=O)=O)CC1 ZINC000644645641 651561046 /nfs/dbraw/zinc/56/10/46/651561046.db2.gz RSGUQIJNPFDAQV-CMPLNLGQSA-N 1 0 382.309 2.288 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C1(S(C)(=O)=O)CC1 ZINC000644645643 651561169 /nfs/dbraw/zinc/56/11/69/651561169.db2.gz RSGUQIJNPFDAQV-PWSUYJOCSA-N 1 0 382.309 2.288 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Brc1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c(N2CCOCC2)c1 ZINC000569810483 651726208 /nfs/dbraw/zinc/72/62/08/651726208.db2.gz KYUFHKMFFKTCPC-ZBFHGGJFSA-N 1 0 380.330 2.327 20 0 GEADRO CC[S@@](=O)CCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000733880037 651726937 /nfs/dbraw/zinc/72/69/37/651726937.db2.gz SCLBAUFFYYCIFM-PUAOIOHZSA-N 1 0 376.444 2.326 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)[C@@H]2C1 ZINC000646917789 651727567 /nfs/dbraw/zinc/72/75/67/651727567.db2.gz HKVWFPRZGMEBBI-BLLLJJGKSA-N 1 0 375.270 2.411 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)nnn1-c1cccc(Br)c1 ZINC000646917832 651727784 /nfs/dbraw/zinc/72/77/84/651727784.db2.gz IGNHOLQZZUUBDB-DOMZBBRYSA-N 1 0 390.285 2.114 20 0 GEADRO O=c1c2c(ncn1Cc1ccc(Br)c3cccnc13)CC[NH2+]CC2 ZINC000569841015 651728048 /nfs/dbraw/zinc/72/80/48/651728048.db2.gz MODFHIDVIIZPNL-UHFFFAOYSA-N 1 0 385.265 2.291 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000569838901 651728181 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CCN(Cc1ccccc1Br)C(=O)C(=O)NCCC[NH2+]C(C)C ZINC000569949263 651736052 /nfs/dbraw/zinc/73/60/52/651736052.db2.gz CXJNWLWAZIMATL-UHFFFAOYSA-N 1 0 384.318 2.302 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000569958449 651736849 /nfs/dbraw/zinc/73/68/49/651736849.db2.gz JRMLDBYZDWYLRI-OAHLLOKOSA-N 1 0 389.315 2.018 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000647223241 651737319 /nfs/dbraw/zinc/73/73/19/651737319.db2.gz NCLHDCUWJMYMQG-QMTHXVAHSA-N 1 0 389.905 2.055 20 0 GEADRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000647228196 651737915 /nfs/dbraw/zinc/73/79/15/651737915.db2.gz LRQKALWRHXSAQH-CYBMUJFWSA-N 1 0 388.917 2.128 20 0 GEADRO Cn1cnc(CCC[NH2+]Cc2ncc(Br)cc2Br)n1 ZINC000647231322 651738425 /nfs/dbraw/zinc/73/84/25/651738425.db2.gz RXUVXTHAMSMCOE-UHFFFAOYSA-N 1 0 389.095 2.458 20 0 GEADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000647273721 651739494 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Cn1cc(Br)c2ccc(S(=O)(=O)N[C@H]3CC34CC[NH2+]CC4)cc21 ZINC000647303896 651742885 /nfs/dbraw/zinc/74/28/85/651742885.db2.gz PCDKXCMDROUYRD-HNNXBMFYSA-N 1 0 398.326 2.361 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000612040307 651743007 /nfs/dbraw/zinc/74/30/07/651743007.db2.gz JUTGUOQAHGEIQH-AWEZNQCLSA-N 1 0 396.329 2.363 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3ccc(Br)cc3C2)n1 ZINC000570055895 651743257 /nfs/dbraw/zinc/74/32/57/651743257.db2.gz JNDYFEQPZXGOFC-UHFFFAOYSA-N 1 0 377.286 2.406 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cccc2cc(Br)cnc21 ZINC000570064191 651743853 /nfs/dbraw/zinc/74/38/53/651743853.db2.gz CQYGZXBOWZMLKZ-ZDUSSCGKSA-N 1 0 379.258 2.497 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1Br ZINC000647320133 651744033 /nfs/dbraw/zinc/74/40/33/651744033.db2.gz XBPFKKXJVAJENG-JTQLQIEISA-N 1 0 389.649 2.378 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]12 ZINC000570077624 651744992 /nfs/dbraw/zinc/74/49/92/651744992.db2.gz FBZGPXMJKJQHOC-DJSGYFEHSA-N 1 0 382.291 2.074 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000612097742 651745407 /nfs/dbraw/zinc/74/54/07/651745407.db2.gz BSQLEEOEARGWAU-LLVKDONJSA-N 1 0 399.289 2.118 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1c1ccc(Br)cc1 ZINC000570095713 651746824 /nfs/dbraw/zinc/74/68/24/651746824.db2.gz COIDAJJBULZMDL-ARFHVFGLSA-N 1 0 395.297 2.306 20 0 GEADRO O[C@H](CNC[C@H](O)C[NH+]1CCCCC1)COc1c(Cl)cccc1Cl ZINC000647517811 651749598 /nfs/dbraw/zinc/74/95/98/651749598.db2.gz GQVYIDCQAGGUDB-UONOGXRCSA-N 1 0 377.312 2.170 20 0 GEADRO [NH3+]Cc1cc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc(C(F)(F)F)c1 ZINC000570161394 651750713 /nfs/dbraw/zinc/75/07/13/651750713.db2.gz LKBPNFJOOYEJOG-ZDUSSCGKSA-N 1 0 376.400 2.318 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)N[C@@H]3CCc4sc(Cl)cc43)C2)nn1 ZINC000570188060 651751703 /nfs/dbraw/zinc/75/17/03/651751703.db2.gz XJQUJMUEGGZSCW-DGCLKSJQSA-N 1 0 380.905 2.486 20 0 GEADRO CC[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])Cc1cccc(Br)c1 ZINC000570187703 651751723 /nfs/dbraw/zinc/75/17/23/651751723.db2.gz LHBYACHOYBHXMH-WMLDXEAASA-N 1 0 397.361 2.302 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000570194893 651752346 /nfs/dbraw/zinc/75/23/46/651752346.db2.gz AMGHGEHURSENHS-UHFFFAOYSA-N 1 0 389.905 2.070 20 0 GEADRO C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000570263678 651755979 /nfs/dbraw/zinc/75/59/79/651755979.db2.gz DPIRDGMSABAIHM-UTUOFQBUSA-N 1 0 396.285 2.142 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)COc1cccc(Br)c1 ZINC000647822064 651761304 /nfs/dbraw/zinc/76/13/04/651761304.db2.gz PUXMBBKILVZKMI-HOTGVXAUSA-N 1 0 383.286 2.150 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000647822036 651761324 /nfs/dbraw/zinc/76/13/24/651761324.db2.gz PMOWBUUHWMXZDU-XHSDSOJGSA-N 1 0 395.297 2.247 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)COc1cccc(Br)c1 ZINC000647822066 651761460 /nfs/dbraw/zinc/76/14/60/651761460.db2.gz PUXMBBKILVZKMI-JKSUJKDBSA-N 1 0 383.286 2.150 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000647830915 651761988 /nfs/dbraw/zinc/76/19/88/651761988.db2.gz CLHKCLGHZWIXSC-UMVBOHGHSA-N 1 0 394.313 2.353 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(C[S@@](=O)CCOC)c1 ZINC000734988091 651762341 /nfs/dbraw/zinc/76/23/41/651762341.db2.gz ROCQRMHKUQYCAU-GKVSMKOHSA-N 1 0 383.583 2.352 20 0 GEADRO CN(CCN1CC[NH2+]CC1)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000647835849 651762662 /nfs/dbraw/zinc/76/26/62/651762662.db2.gz RKGCKZLVEZDLRJ-UHFFFAOYSA-N 1 0 379.302 2.441 20 0 GEADRO Cc1sc2ncnc(SCCC(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)c2c1C ZINC000647875873 651763658 /nfs/dbraw/zinc/76/36/58/651763658.db2.gz LNRRWOXVVUUMHI-AAEUAGOBSA-N 1 0 380.539 2.365 20 0 GEADRO COCC1([NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)CCOCC1 ZINC000647952083 651767298 /nfs/dbraw/zinc/76/72/98/651767298.db2.gz LWSMPDKQGFZARJ-UHFFFAOYSA-N 1 0 393.228 2.451 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](O)CN(CCO)Cc1cc(Br)ccc1F ZINC000647962269 651767693 /nfs/dbraw/zinc/76/76/93/651767693.db2.gz WIVBLNISCUCQSG-OAHLLOKOSA-N 1 0 377.298 2.084 20 0 GEADRO Cc1nc(-c2ccccc2)sc1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000570452354 651768333 /nfs/dbraw/zinc/76/83/33/651768333.db2.gz QBZUFOHRCBUFDE-UHFFFAOYSA-N 1 0 379.507 2.224 20 0 GEADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)sc2C)s1 ZINC000647988854 651768580 /nfs/dbraw/zinc/76/85/80/651768580.db2.gz YCINIUGTODDTOB-IMRBUKKESA-N 1 0 376.507 2.220 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000570498985 651771144 /nfs/dbraw/zinc/77/11/44/651771144.db2.gz LQWYBISQIFCHIZ-UHFFFAOYSA-N 1 0 392.681 2.165 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1cc(Br)ccc1F ZINC000648041082 651771113 /nfs/dbraw/zinc/77/11/13/651771113.db2.gz GRTVXJFUYAZJRM-OLZOCXBDSA-N 1 0 397.292 2.267 20 0 GEADRO COc1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c(Br)c1 ZINC000648053522 651772257 /nfs/dbraw/zinc/77/22/57/651772257.db2.gz NICQLRKOGQBLFV-JTQLQIEISA-N 1 0 380.246 2.054 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c(F)ccc(Br)c1F ZINC000648066132 651773180 /nfs/dbraw/zinc/77/31/80/651773180.db2.gz YWNPMQFGUBDHEJ-SNVBAGLBSA-N 1 0 376.245 2.279 20 0 GEADRO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000570577044 651776003 /nfs/dbraw/zinc/77/60/03/651776003.db2.gz VJIUAJLPRGSXBW-MRXNPFEDSA-N 1 0 394.313 2.140 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612965983 651776714 /nfs/dbraw/zinc/77/67/14/651776714.db2.gz KVSQEOFBKJXZKG-SMDDNHRTSA-N 1 0 388.295 2.174 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612963143 651776832 /nfs/dbraw/zinc/77/68/32/651776832.db2.gz HKCWFCYCANCWAI-CQSZACIVSA-N 1 0 395.301 2.137 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613227000 651777237 /nfs/dbraw/zinc/77/72/37/651777237.db2.gz PJWDXPRNQDGYFQ-BHTHQVBYSA-N 1 0 382.302 2.473 20 0 GEADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000612970426 651777317 /nfs/dbraw/zinc/77/73/17/651777317.db2.gz JQAJPUOCYYMFCL-OAHLLOKOSA-N 1 0 398.301 2.408 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCC(n2cc(Br)cn2)CC1 ZINC000612971096 651777322 /nfs/dbraw/zinc/77/73/22/651777322.db2.gz MRHJHQQPIABGIY-CQSZACIVSA-N 1 0 382.306 2.134 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000613267970 651779533 /nfs/dbraw/zinc/77/95/33/651779533.db2.gz VOKINNZEJKVHNK-CVEARBPZSA-N 1 0 380.286 2.300 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000570656006 651781386 /nfs/dbraw/zinc/78/13/86/651781386.db2.gz XQFQRIAYWIVMLM-CQSZACIVSA-N 1 0 387.933 2.145 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1F ZINC000570664081 651781728 /nfs/dbraw/zinc/78/17/28/651781728.db2.gz LVFXOIRYPVBTFY-JBLDHEPKSA-N 1 0 384.249 2.031 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)CC1CCCC1)c1ccc(F)cc1Cl ZINC000570676311 651782618 /nfs/dbraw/zinc/78/26/18/651782618.db2.gz KIACGICUVLHFIM-CQSZACIVSA-N 1 0 378.897 2.288 20 0 GEADRO Brc1ccc2nc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)cn2c1 ZINC000613334527 651783284 /nfs/dbraw/zinc/78/32/84/651783284.db2.gz FVJGGODUFFGSQG-INIZCTEOSA-N 1 0 379.302 2.393 20 0 GEADRO CC[N@@H+]1CCN(Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C[C@H]1C ZINC000648371312 651784208 /nfs/dbraw/zinc/78/42/08/651784208.db2.gz JJOVJRKKNMPMIM-KGLIPLIRSA-N 1 0 398.345 2.488 20 0 GEADRO O=C(CC[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)Nc1ccc(Cl)cc1 ZINC000570710932 651785391 /nfs/dbraw/zinc/78/53/91/651785391.db2.gz OSIJQUCUYBFFHM-UHFFFAOYSA-N 1 0 385.917 2.215 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(O)CCCCCC1 ZINC000735506185 651785502 /nfs/dbraw/zinc/78/55/02/651785502.db2.gz FBZIITFZARVSFR-CQSZACIVSA-N 1 0 389.949 2.379 20 0 GEADRO C[NH+](C)C1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000613417332 651785656 /nfs/dbraw/zinc/78/56/56/651785656.db2.gz OVUKAVWVDHMOQI-UHFFFAOYSA-N 1 0 375.332 2.249 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000570733812 651787065 /nfs/dbraw/zinc/78/70/65/651787065.db2.gz YRXYOXGSIWYCLT-UONOGXRCSA-N 1 0 385.555 2.073 20 0 GEADRO C[C@H](CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)n1cc(Br)cn1 ZINC000648722604 651796964 /nfs/dbraw/zinc/79/69/64/651796964.db2.gz AMYFJDMSNHKMLA-MCIONIFRSA-N 1 0 387.322 2.212 20 0 GEADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1sccc1S(N)(=O)=O)[NH+](C)C ZINC000613839224 651798883 /nfs/dbraw/zinc/79/88/83/651798883.db2.gz UIAPNGKBWKHZLF-IUODEOHRSA-N 1 0 381.523 2.125 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1Br ZINC000570912635 651799452 /nfs/dbraw/zinc/79/94/52/651799452.db2.gz ZGXGHRVPHUYUQP-NSHDSACASA-N 1 0 379.345 2.329 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000648782146 651802637 /nfs/dbraw/zinc/80/26/37/651802637.db2.gz UQOWZVHWKXDACI-UHFFFAOYSA-N 1 0 397.342 2.426 20 0 GEADRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000570987487 651803745 /nfs/dbraw/zinc/80/37/45/651803745.db2.gz ZUYTYPZEPWHDAT-CYBMUJFWSA-N 1 0 380.432 2.298 20 0 GEADRO C[C@@H]1COCC[N@@H+]1C1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000571025827 651806590 /nfs/dbraw/zinc/80/65/90/651806590.db2.gz ZLTUEKLEWJTMLA-DYVFJYSZSA-N 1 0 396.329 2.161 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(=O)[nH]c3ccc(Br)cc31)C2 ZINC000614039314 651810136 /nfs/dbraw/zinc/81/01/36/651810136.db2.gz UIXPHLIVOYQHLM-UHFFFAOYSA-N 1 0 376.254 2.481 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCc2ccc(Br)cc2F)C1 ZINC000614067537 651811404 /nfs/dbraw/zinc/81/14/04/651811404.db2.gz IDBOTPCOTHAUGP-QGZVFWFLSA-N 1 0 387.293 2.436 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000614071421 651811751 /nfs/dbraw/zinc/81/17/51/651811751.db2.gz RCUIDHLRHKUXFF-KBXCAEBGSA-N 1 0 397.313 2.230 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649072988 651814438 /nfs/dbraw/zinc/81/44/38/651814438.db2.gz MPJZPXSJYRZTPS-KGLIPLIRSA-N 1 0 396.329 2.206 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)c1cccc(Br)c1 ZINC000649076357 651815080 /nfs/dbraw/zinc/81/50/80/651815080.db2.gz WBHUTDYUJCEWGD-CYBMUJFWSA-N 1 0 396.329 2.305 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(c2cccc(Br)c2)CC1 ZINC000649078690 651815599 /nfs/dbraw/zinc/81/55/99/651815599.db2.gz ODIFEJNFTWLGGX-CYBMUJFWSA-N 1 0 394.313 2.059 20 0 GEADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3sccc3S(N)(=O)=O)cccc21 ZINC000614203764 651816152 /nfs/dbraw/zinc/81/61/52/651816152.db2.gz LNUQSWDRDBKKAF-GFCCVEGCSA-N 1 0 381.479 2.033 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cn3ccc(Br)cc3n1)CCO2 ZINC000649129988 651817012 /nfs/dbraw/zinc/81/70/12/651817012.db2.gz SKBYAZRXQANPBK-UHFFFAOYSA-N 1 0 393.285 2.034 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000571218896 651818505 /nfs/dbraw/zinc/81/85/05/651818505.db2.gz YLWLZNOUMKKTBJ-ZDUSSCGKSA-N 1 0 384.318 2.416 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)C[C@@H]1O ZINC000571223913 651818620 /nfs/dbraw/zinc/81/86/20/651818620.db2.gz MGGKFRYHUYGBNO-RYUDHWBXSA-N 1 0 386.677 2.331 20 0 GEADRO CC(C)([NH3+])c1nocc1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000571225151 651818968 /nfs/dbraw/zinc/81/89/68/651818968.db2.gz UUMCNCNATMUNFC-SECBINFHSA-N 1 0 388.251 2.345 20 0 GEADRO O=S(=O)(CCc1ccccc1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000571254899 651820604 /nfs/dbraw/zinc/82/06/04/651820604.db2.gz VKDRWVWLTKUXKI-HNNXBMFYSA-N 1 0 387.343 2.492 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1ccc(Br)cc1F ZINC000614348634 651823195 /nfs/dbraw/zinc/82/31/95/651823195.db2.gz OYXWUUWCKXHQKK-AWEZNQCLSA-N 1 0 375.282 2.340 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000571283962 651823283 /nfs/dbraw/zinc/82/32/83/651823283.db2.gz JJMKDBOIEONCQA-GJZGRUSLSA-N 1 0 391.339 2.416 20 0 GEADRO COCC[N@H+](C)CCCNCc1cn(-c2ccccc2Br)nn1 ZINC000571334169 651826732 /nfs/dbraw/zinc/82/67/32/651826732.db2.gz LVCWOZPGKHLJOH-UHFFFAOYSA-N 1 0 382.306 2.088 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649556759 651830415 /nfs/dbraw/zinc/83/04/15/651830415.db2.gz FFWFTMJEZNBYPN-HNNXBMFYSA-N 1 0 380.286 2.378 20 0 GEADRO CCC[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC)S(N)(=O)=O ZINC000614674169 651831977 /nfs/dbraw/zinc/83/19/77/651831977.db2.gz IZAPSBUBDZXPJY-JKSUJKDBSA-N 1 0 389.949 2.296 20 0 GEADRO CN(CC[NH+]1CCCCC1)Cc1nnnn1-c1ccccc1Br ZINC000649888383 651836697 /nfs/dbraw/zinc/83/66/97/651836697.db2.gz PWFSOIZXXWFLFN-UHFFFAOYSA-N 1 0 379.306 2.343 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000571517797 651836846 /nfs/dbraw/zinc/83/68/46/651836846.db2.gz MGAMZSYBAIRRPN-UHFFFAOYSA-N 1 0 390.285 3.018 20 0 GEADRO CC(C)Cc1ccc([C@@H](CNc2ncc(S(N)(=O)=O)s2)[NH+](C)C)cc1 ZINC000571556611 651840188 /nfs/dbraw/zinc/84/01/88/651840188.db2.gz RRDIQKNWSJWOAR-OAHLLOKOSA-N 1 0 382.555 2.704 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000571563133 651840678 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383.286 2.152 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000572301970 651883861 /nfs/dbraw/zinc/88/38/61/651883861.db2.gz UDTQPMDILZMQOL-UHFFFAOYSA-N 1 0 375.922 2.181 20 0 GEADRO CCCNC(=O)CSc1nn(CN2CC[C@@H](C[NH+](C)C)C2)c(=S)s1 ZINC000738226901 651886987 /nfs/dbraw/zinc/88/69/87/651886987.db2.gz JNIGNIBLCWXKRR-LBPRGKRZSA-N 1 0 389.616 2.133 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000572363738 651887663 /nfs/dbraw/zinc/88/76/63/651887663.db2.gz FLPZIXXCKSJDIY-NEPJUHHUSA-N 1 0 384.318 2.085 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000572363653 651887877 /nfs/dbraw/zinc/88/78/77/651887877.db2.gz BYAGTOHYQPKYSW-UWVGGRQHSA-N 1 0 388.331 2.244 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000572480338 651895050 /nfs/dbraw/zinc/89/50/50/651895050.db2.gz IRNSEKUZJQTYBK-HFAKWTLXSA-N 1 0 388.306 2.258 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[NH2+]1 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387.343 2.210 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000652362472 651916862 /nfs/dbraw/zinc/91/68/62/651916862.db2.gz IAMYPTWSVMCWRB-RBSFLKMASA-N 1 0 397.317 2.143 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc(I)c(C)c1 ZINC000572871099 651918303 /nfs/dbraw/zinc/91/83/03/651918303.db2.gz YEUCDONZNHRWPC-GXTWGEPZSA-N 1 0 393.265 2.102 20 0 GEADRO [NH3+]CC1(CCNC(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000652601525 651919546 /nfs/dbraw/zinc/91/95/46/651919546.db2.gz JYBXBYKJVBFUNM-UHFFFAOYSA-N 1 0 379.262 2.280 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000617011375 651920943 /nfs/dbraw/zinc/92/09/43/651920943.db2.gz CVBRTMSWJBGIKL-GFCCVEGCSA-N 1 0 396.289 2.285 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000617009959 651921084 /nfs/dbraw/zinc/92/10/84/651921084.db2.gz HMCOODJTERHWAO-JTQLQIEISA-N 1 0 388.331 2.229 20 0 GEADRO CN(CC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)c1ccc(Br)o1 ZINC000617057099 651923195 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C[C@]([NH3+])(C(=O)N1CCC(Cn2cnnc2)CC1)c1ccc(Br)cc1 ZINC000653201980 651935778 /nfs/dbraw/zinc/93/57/78/651935778.db2.gz CSXUOMSFTCNLDJ-QGZVFWFLSA-N 1 0 392.301 2.153 20 0 GEADRO O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573120510 651935806 /nfs/dbraw/zinc/93/58/06/651935806.db2.gz SRPFTEDATZLHQT-AWEZNQCLSA-N 1 0 382.379 2.489 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C[C@H]1C[NH3+] ZINC000653245517 651936642 /nfs/dbraw/zinc/93/66/42/651936642.db2.gz ACFZICMCXPDKBJ-CZUORRHYSA-N 1 0 393.285 2.071 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000617340722 651939288 /nfs/dbraw/zinc/93/92/88/651939288.db2.gz FAMNQEIUMCTNAP-LBPRGKRZSA-N 1 0 393.289 2.027 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1Br ZINC000573187813 651939806 /nfs/dbraw/zinc/93/98/06/651939806.db2.gz RBWMQRMDJHBYMM-PHIMTYICSA-N 1 0 384.249 2.188 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000573245975 651944466 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O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)cn1 ZINC000617700865 651963531 /nfs/dbraw/zinc/96/35/31/651963531.db2.gz MVCBTXTUIOVXPP-MRXNPFEDSA-N 1 0 390.281 2.341 20 0 GEADRO COc1cc(Br)c(Cl)cc1C(=O)NCCOCC[NH+](C)C ZINC000573567201 651965156 /nfs/dbraw/zinc/96/51/56/651965156.db2.gz NZVYNQOWKMFFLG-UHFFFAOYSA-N 1 0 379.682 2.419 20 0 GEADRO C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CN2CC[C@@H]([NH+]3CC=CC3)C2)C1=O ZINC000742163712 651965934 /nfs/dbraw/zinc/96/59/34/651965934.db2.gz VJLABUSJFGBRNM-PXAZEXFGSA-N 1 0 380.901 2.072 20 0 GEADRO C[C@@H](CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[NH+](C)C ZINC000617749062 651970316 /nfs/dbraw/zinc/97/03/16/651970316.db2.gz BZKBEWKFXBCBFF-QWHCGFSZSA-N 1 0 382.302 2.258 20 0 GEADRO C[C@H](CCNC(=O)CN(C)C(=O)c1ccc(Br)s1)[NH+](C)C ZINC000617751176 651970439 /nfs/dbraw/zinc/97/04/39/651970439.db2.gz SJBIFFPPINEQFG-SNVBAGLBSA-N 1 0 376.320 2.039 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000617763703 651970926 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Cc1ccc(C[C@@H](CO)CNC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000655131814 651980227 /nfs/dbraw/zinc/98/02/27/651980227.db2.gz QXJTWHUUXJNBKJ-CVEARBPZSA-N 1 0 398.345 2.302 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000573864676 651984122 /nfs/dbraw/zinc/98/41/22/651984122.db2.gz VJHZXSKSZVDTLJ-DTWKUNHWSA-N 1 0 381.267 2.016 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000573890126 651985933 /nfs/dbraw/zinc/98/59/33/651985933.db2.gz GVMBFPJHZALWLZ-DZGCQCFKSA-N 1 0 392.301 2.048 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC(=O)OC(C)(C)C ZINC000742372144 651986353 /nfs/dbraw/zinc/98/63/53/651986353.db2.gz IAMSVVAZWWNQJS-LBPRGKRZSA-N 1 0 391.921 2.026 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000573906792 651987481 /nfs/dbraw/zinc/98/74/81/651987481.db2.gz MDFBTVUYAUOVDC-JKSUJKDBSA-N 1 0 386.901 2.422 20 0 GEADRO O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCc2sc(Cl)cc2C1 ZINC000573921111 651988833 /nfs/dbraw/zinc/98/88/33/651988833.db2.gz JBNCNRAUDGPNMB-STQMWFEESA-N 1 0 381.929 2.134 20 0 GEADRO CN1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1=O ZINC000574032505 651996299 /nfs/dbraw/zinc/99/62/99/651996299.db2.gz FZZSBGISYXRWHG-YPMHNXCESA-N 1 0 391.693 2.053 20 0 GEADRO Cc1cc(Br)cc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1C ZINC000618300320 652002902 /nfs/dbraw/zinc/00/29/02/652002902.db2.gz SHQVKOJSUGFEKZ-UHFFFAOYSA-N 1 0 384.318 2.158 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(Br)c(Cl)c1 ZINC000618306823 652003892 /nfs/dbraw/zinc/00/38/92/652003892.db2.gz KCVZDXFXTRBXKV-UHFFFAOYSA-N 1 0 390.709 2.195 20 0 GEADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(cc1Cl)OCCO2 ZINC000655670048 652005419 /nfs/dbraw/zinc/00/54/19/652005419.db2.gz VCNNFEMPAUWVEW-KGLIPLIRSA-N 1 0 386.901 2.406 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000574182032 652006283 /nfs/dbraw/zinc/00/62/83/652006283.db2.gz ULXNBQROIQMNML-CYBMUJFWSA-N 1 0 384.318 2.254 20 0 GEADRO C[NH+](C)CCCCC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000742953001 652006354 /nfs/dbraw/zinc/00/63/54/652006354.db2.gz CPDAOLJHCVLKKP-UHFFFAOYSA-N 1 0 376.906 2.434 20 0 GEADRO C[C@H](OC[C@H](O)C[NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000574195047 652007318 /nfs/dbraw/zinc/00/73/18/652007318.db2.gz ASKPCIVFDZUWHI-GRDNDAEWSA-N 1 0 375.918 2.193 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000655719796 652008530 /nfs/dbraw/zinc/00/85/30/652008530.db2.gz MOOLHXODHLCDGX-SFHVURJKSA-N 1 0 393.329 2.490 20 0 GEADRO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Oc1ccccc1Br ZINC000574216957 652008909 /nfs/dbraw/zinc/00/89/09/652008909.db2.gz NNKLPCZOOFTFIW-CYBMUJFWSA-N 1 0 395.301 2.405 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1CNC[C@](C)(O)C[NH+](C)C ZINC000655751732 652009964 /nfs/dbraw/zinc/00/99/64/652009964.db2.gz DQQRYPKVBRAIHR-KRWDZBQOSA-N 1 0 381.318 2.345 20 0 GEADRO CS(=O)(=O)c1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000655759042 652010677 /nfs/dbraw/zinc/01/06/77/652010677.db2.gz INUDWQJDAHCITE-MRXNPFEDSA-N 1 0 386.945 2.477 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000574273265 652012531 /nfs/dbraw/zinc/01/25/31/652012531.db2.gz MCCKGZSEDSQPFE-WCQYABFASA-N 1 0 383.290 2.149 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000574273267 652012613 /nfs/dbraw/zinc/01/26/13/652012613.db2.gz MCCKGZSEDSQPFE-YPMHNXCESA-N 1 0 383.290 2.149 20 0 GEADRO CC(C)(C)C(=O)NCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000574270356 652012657 /nfs/dbraw/zinc/01/26/57/652012657.db2.gz BLCBHGLVDOFESS-ZDUSSCGKSA-N 1 0 391.281 2.080 20 0 GEADRO C[NH+](C)CCOc1cccc(CNC(=O)CCn2cc(Br)cn2)c1 ZINC000618395603 652015514 /nfs/dbraw/zinc/01/55/14/652015514.db2.gz HVMMDHUWVMJLIZ-UHFFFAOYSA-N 1 0 395.301 2.293 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1)C(F)(F)F ZINC000655956987 652015398 /nfs/dbraw/zinc/01/53/98/652015398.db2.gz KENCAZKXIPFNHU-MRVPVSSYSA-N 1 0 382.314 2.178 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C(F)(F)F ZINC000655957054 652015653 /nfs/dbraw/zinc/01/56/53/652015653.db2.gz MQMQBTMKRBGABR-QMMMGPOBSA-N 1 0 377.672 2.303 20 0 GEADRO CCC(=O)N1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000574317321 652015743 /nfs/dbraw/zinc/01/57/43/652015743.db2.gz SWYPWYUCUCKYLF-KRWDZBQOSA-N 1 0 382.302 2.094 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000618459516 652018020 /nfs/dbraw/zinc/01/80/20/652018020.db2.gz VJJUAZKVYSJBGL-KGLIPLIRSA-N 1 0 387.571 2.346 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000743398773 652019070 /nfs/dbraw/zinc/01/90/70/652019070.db2.gz KYRVQYXRMFHQSY-YVEFUNNKSA-N 1 0 384.933 2.400 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574400322 652019284 /nfs/dbraw/zinc/01/92/84/652019284.db2.gz OHWVBIKUFYXUOD-INIZCTEOSA-N 1 0 375.897 2.231 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000574424220 652020643 /nfs/dbraw/zinc/02/06/43/652020643.db2.gz PTZWXWWZHDJUBW-UHFFFAOYSA-N 1 0 386.290 2.291 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000574441124 652021677 /nfs/dbraw/zinc/02/16/77/652021677.db2.gz XBODOUZYAKVARI-CQSZACIVSA-N 1 0 397.317 2.432 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000743553769 652022128 /nfs/dbraw/zinc/02/21/28/652022128.db2.gz NOYSIBIZEFZZER-GDBMZVCRSA-N 1 0 383.901 2.028 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000618540099 652022160 /nfs/dbraw/zinc/02/21/60/652022160.db2.gz TVQZYMKTLLLYCO-OCCSQVGLSA-N 1 0 375.560 2.200 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000574462712 652023273 /nfs/dbraw/zinc/02/32/73/652023273.db2.gz KJXMOZKXVWBLKG-OAHLLOKOSA-N 1 0 384.318 2.404 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC[NH+](C(C)C)C(C)C ZINC000743619523 652023830 /nfs/dbraw/zinc/02/38/30/652023830.db2.gz UAFYCFKFLSYUMY-HNNXBMFYSA-N 1 0 390.981 2.413 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC1CC[NH+](C(C)C)CC1 ZINC000743644761 652024504 /nfs/dbraw/zinc/02/45/04/652024504.db2.gz RFRCRWJRROQDSG-OAHLLOKOSA-N 1 0 388.965 2.167 20 0 GEADRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000574487914 652024917 /nfs/dbraw/zinc/02/49/17/652024917.db2.gz DPDQQBJVZRXCNC-WFASDCNBSA-N 1 0 380.286 2.440 20 0 GEADRO O=C(Nc1cccc(C2SCCS2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000743920135 652029817 /nfs/dbraw/zinc/02/98/17/652029817.db2.gz SFADQDVSVICPNQ-AWEZNQCLSA-N 1 0 377.535 2.457 20 0 GEADRO [NH3+]Cc1cc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)ccn1 ZINC000574639998 652033145 /nfs/dbraw/zinc/03/31/45/652033145.db2.gz FUVRABVGXWKGIK-UHFFFAOYSA-N 1 0 389.297 2.261 20 0 GEADRO O=S(=O)(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N1CCOCC1 ZINC000574638309 652033295 /nfs/dbraw/zinc/03/32/95/652033295.db2.gz ONJKTWQYCDEIMZ-UHFFFAOYSA-N 1 0 385.555 2.254 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000618994628 652041084 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COC(=O)CC[N@H+](CC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000744427023 652048232 /nfs/dbraw/zinc/04/82/32/652048232.db2.gz NVEKYBCVVQDIKX-UHFFFAOYSA-N 1 0 399.285 2.432 20 0 GEADRO O=C(COC1CC[NH2+]CC1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000574868564 652048413 /nfs/dbraw/zinc/04/84/13/652048413.db2.gz BSTFCDWLSMUDEH-UHFFFAOYSA-N 1 0 397.313 2.340 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000574916075 652051901 /nfs/dbraw/zinc/05/19/01/652051901.db2.gz XMKCIWRCARCBJE-WDEREUQCSA-N 1 0 388.331 2.277 20 0 GEADRO CSC1(CNC(=O)[C@H](NC(=O)c2cccs2)C(C)C)CC[NH+](C)CC1 ZINC000574948257 652054304 /nfs/dbraw/zinc/05/43/04/652054304.db2.gz NUVBKLPMBIAQKC-OAHLLOKOSA-N 1 0 383.583 2.446 20 0 GEADRO C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000574982164 652055842 /nfs/dbraw/zinc/05/58/42/652055842.db2.gz NYKMIGDWMJIQLA-KNXALSJPSA-N 1 0 392.301 2.380 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cnc2c(Br)cccn12 ZINC000575041499 652060128 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COc1ccc(C[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000575174786 652066508 /nfs/dbraw/zinc/06/65/08/652066508.db2.gz SSPFLTWWDFAAEA-YDHLFZDLSA-N 1 0 387.318 2.017 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656935643 652068148 /nfs/dbraw/zinc/06/81/48/652068148.db2.gz SOOOVBUPIKCLIF-CYBMUJFWSA-N 1 0 379.295 2.444 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[N@@H+]1C ZINC000575201075 652068601 /nfs/dbraw/zinc/06/86/01/652068601.db2.gz UDMWAVFBFJEAEE-JQWIXIFHSA-N 1 0 395.301 2.259 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3cc(F)ccc3Br)[C@@H]2C1 ZINC000656952206 652073756 /nfs/dbraw/zinc/07/37/56/652073756.db2.gz FPVFELRMJCUBGN-XHDPSFHLSA-N 1 0 391.306 2.444 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ncccc1Br ZINC000656967580 652077329 /nfs/dbraw/zinc/07/73/29/652077329.db2.gz ZBOQVZVFTHHMAU-VXGBXAGGSA-N 1 0 376.320 2.243 20 0 GEADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCOc1ccc(I)cc1 ZINC000619777408 652077699 /nfs/dbraw/zinc/07/76/99/652077699.db2.gz DYFWGHZKADBWKS-AWEZNQCLSA-N 1 0 388.249 2.271 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(N)c(Br)c2)CC1 ZINC000745466258 652078835 /nfs/dbraw/zinc/07/88/35/652078835.db2.gz QISDQXWLEBPPGB-UHFFFAOYSA-N 1 0 398.301 2.177 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 ZINC000575811219 652079557 /nfs/dbraw/zinc/07/95/57/652079557.db2.gz UAWXWMOTEKTIPF-SNVBAGLBSA-N 1 0 383.279 2.402 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000656987545 652082504 /nfs/dbraw/zinc/08/25/04/652082504.db2.gz IJBJOZFPNYYALH-NSHDSACASA-N 1 0 379.320 2.466 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000575877211 652083729 /nfs/dbraw/zinc/08/37/29/652083729.db2.gz LCYXIMLOYLZBLG-UHFFFAOYSA-N 1 0 385.302 2.227 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000575877249 652084471 /nfs/dbraw/zinc/08/44/71/652084471.db2.gz NMCYSEARWJNMBY-INIZCTEOSA-N 1 0 397.317 2.023 20 0 GEADRO Cc1nc(C(F)(F)F)c(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)s1 ZINC000575920005 652084816 /nfs/dbraw/zinc/08/48/16/652084816.db2.gz HBYAPRCHEWDHTO-LKFCYVNXSA-N 1 0 376.404 2.410 20 0 GEADRO COc1ccc([C@H](CCO)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)cc1 ZINC000575925890 652085356 /nfs/dbraw/zinc/08/53/56/652085356.db2.gz CXKFWMLHKQNQAO-KRWDZBQOSA-N 1 0 384.885 2.209 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000657009926 652086334 /nfs/dbraw/zinc/08/63/34/652086334.db2.gz JSPZYGCLAUMTAM-UHFFFAOYSA-N 1 0 383.283 2.215 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000576021994 652091306 /nfs/dbraw/zinc/09/13/06/652091306.db2.gz PWJMSUAZKAWPKX-UHFFFAOYSA-N 1 0 386.338 2.409 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)CC[NH2+]C(C)C)C2=O)ccc1Br ZINC000576225552 652098006 /nfs/dbraw/zinc/09/80/06/652098006.db2.gz SYPGOQMVYUULPS-OAHLLOKOSA-N 1 0 382.302 2.367 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000576278068 652102012 /nfs/dbraw/zinc/10/20/12/652102012.db2.gz FRFZOZGYNDLFAP-SNVBAGLBSA-N 1 0 377.794 2.286 20 0 GEADRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CCn2cc(Br)cn2)C[C@@H](C)O1 ZINC000620535331 652106938 /nfs/dbraw/zinc/10/69/38/652106938.db2.gz ZGBKUNZQTBDGGO-IIAWOOMASA-N 1 0 399.333 2.136 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CCn2cc(Br)cn2)C[C@H](C)O1 ZINC000620535332 652107092 /nfs/dbraw/zinc/10/70/92/652107092.db2.gz ZGBKUNZQTBDGGO-IJEWVQPXSA-N 1 0 399.333 2.136 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)s2)cs1 ZINC000576331941 652107313 /nfs/dbraw/zinc/10/73/13/652107313.db2.gz DLHURKPYMMMXIW-RYUDHWBXSA-N 1 0 378.523 2.040 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000576347073 652109104 /nfs/dbraw/zinc/10/91/04/652109104.db2.gz WUANTZJCKOBPGT-QWRGUYRKSA-N 1 0 397.324 2.437 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cn1nc(N2CCCC2)sc1=S ZINC000746650093 652119347 /nfs/dbraw/zinc/11/93/47/652119347.db2.gz RIVMZAZHMRLPDQ-QLFBSQMISA-N 1 0 383.587 2.415 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1nc(N2CCCC2)sc1=S ZINC000746650095 652119709 /nfs/dbraw/zinc/11/97/09/652119709.db2.gz RIVMZAZHMRLPDQ-RBSFLKMASA-N 1 0 383.587 2.415 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620767620 652119957 /nfs/dbraw/zinc/11/99/57/652119957.db2.gz KPOQAJDKYLQJSA-MRXNPFEDSA-N 1 0 390.281 2.002 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1Br ZINC000576491956 652122256 /nfs/dbraw/zinc/12/22/56/652122256.db2.gz GHQJYGLVBGBLKP-YPMHNXCESA-N 1 0 386.290 2.196 20 0 GEADRO CCc1n[nH]c(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1Br ZINC000620912802 652126291 /nfs/dbraw/zinc/12/62/91/652126291.db2.gz TYAYOKZBIWLTPU-LBPRGKRZSA-N 1 0 399.333 2.450 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)C[C@H](C)[NH2+]1 ZINC000620904421 652126363 /nfs/dbraw/zinc/12/63/63/652126363.db2.gz NLKADNPIRYTNAK-HBNTYKKESA-N 1 0 388.331 2.228 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)[NH2+]1 ZINC000620904124 652126418 /nfs/dbraw/zinc/12/64/18/652126418.db2.gz CAONRXPUTQCYKY-BJJXKVORSA-N 1 0 394.313 2.401 20 0 GEADRO CC(C)[C@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000621148079 652132055 /nfs/dbraw/zinc/13/20/55/652132055.db2.gz HBHCUHCKEUVMMS-OAHLLOKOSA-N 1 0 382.302 2.025 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[NH2+][C@H](C(C)C)C1)c1ccc(Br)cc1 ZINC000621148714 652132334 /nfs/dbraw/zinc/13/23/34/652132334.db2.gz VPXKTAOLXSNFSZ-IRXDYDNUSA-N 1 0 396.329 2.473 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000576656303 652135104 /nfs/dbraw/zinc/13/51/04/652135104.db2.gz NVRRLFLFIKVKFQ-USXIJHARSA-N 1 0 384.929 2.474 20 0 GEADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000657160967 652139435 /nfs/dbraw/zinc/13/94/35/652139435.db2.gz MTPCOGMUTUUITQ-CQSZACIVSA-N 1 0 385.917 2.124 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc([C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000576754626 652142607 /nfs/dbraw/zinc/14/26/07/652142607.db2.gz VSVNSXHUFAPVNI-IUCAKERBSA-N 1 0 393.241 2.340 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000576765242 652143129 /nfs/dbraw/zinc/14/31/29/652143129.db2.gz MAUQQSWQXFZNEL-OAHLLOKOSA-N 1 0 383.330 2.448 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)CN1CCOCC1 ZINC000576816430 652144405 /nfs/dbraw/zinc/14/44/05/652144405.db2.gz VLNNNJASIODEQW-GFCCVEGCSA-N 1 0 385.238 2.378 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000576816137 652144815 /nfs/dbraw/zinc/14/48/15/652144815.db2.gz OIEIOKRCIKLXFK-INIZCTEOSA-N 1 0 390.281 2.004 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000576886396 652150653 /nfs/dbraw/zinc/15/06/53/652150653.db2.gz KPFIPJIYQJPCHM-OAHLLOKOSA-N 1 0 384.318 2.206 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000657295650 652160385 /nfs/dbraw/zinc/16/03/85/652160385.db2.gz GWFVYFLMJZBQEY-UHFFFAOYSA-N 1 0 395.301 2.497 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000657327430 652161146 /nfs/dbraw/zinc/16/11/46/652161146.db2.gz VYSWNHSNPSSHAZ-MRXNPFEDSA-N 1 0 386.359 2.450 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cnn3c2CCC3)s1 ZINC000657347364 652162119 /nfs/dbraw/zinc/16/21/19/652162119.db2.gz YGBIAMUDTUPYHS-UHFFFAOYSA-N 1 0 382.555 2.254 20 0 GEADRO Cn1ncc(C2CC2)c1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000657461179 652165953 /nfs/dbraw/zinc/16/59/53/652165953.db2.gz DWGMIHXBAQWDLW-UHFFFAOYSA-N 1 0 386.880 2.158 20 0 GEADRO CC1(C)CN(CCNC(=O)c2cc3c(cc2Br)OCO3)CCO1 ZINC000621822338 652167410 /nfs/dbraw/zinc/16/74/10/652167410.db2.gz VLPOEWUGKDFFSG-UHFFFAOYSA-N 1 0 385.258 2.018 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000657515738 652168470 /nfs/dbraw/zinc/16/84/70/652168470.db2.gz SETNWVGMBKSSAC-UHFFFAOYSA-N 1 0 386.265 2.437 20 0 GEADRO CCOc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)n1 ZINC000657564594 652174123 /nfs/dbraw/zinc/17/41/23/652174123.db2.gz WWFGDWXFIHNXOQ-UHFFFAOYSA-N 1 0 379.258 2.157 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1Br ZINC000622013417 652174428 /nfs/dbraw/zinc/17/44/28/652174428.db2.gz PCSGBJDBIKVDBR-XHDPSFHLSA-N 1 0 389.315 2.350 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622014997 652175115 /nfs/dbraw/zinc/17/51/15/652175115.db2.gz ODPYGWNXJOFAPT-IAQYHMDHSA-N 1 0 388.331 2.017 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657591425 652176570 /nfs/dbraw/zinc/17/65/70/652176570.db2.gz HJUDFHLWUKUNDO-MRVPVSSYSA-N 1 0 378.217 2.122 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000577281281 652176648 /nfs/dbraw/zinc/17/66/48/652176648.db2.gz YPIBRRRUAQKBFQ-DZGCQCFKSA-N 1 0 395.297 2.267 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000577288902 652177171 /nfs/dbraw/zinc/17/71/71/652177171.db2.gz JXJSKVLOCWBOLV-HNNXBMFYSA-N 1 0 388.327 2.356 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)C1(CO)CC1 ZINC000657608855 652179565 /nfs/dbraw/zinc/17/95/65/652179565.db2.gz ZEBUFWCRGCFVQX-VXGBXAGGSA-N 1 0 385.302 2.213 20 0 GEADRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CS1(=O)=O ZINC000657637355 652183140 /nfs/dbraw/zinc/18/31/40/652183140.db2.gz HKHVLKIBWAMZNN-UKRRQHHQSA-N 1 0 384.929 2.500 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F)C1CC1 ZINC000657651634 652186105 /nfs/dbraw/zinc/18/61/05/652186105.db2.gz KEVBQFHBOPHOKR-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657650974 652186143 /nfs/dbraw/zinc/18/61/43/652186143.db2.gz ZZAMLZJUONONDN-UHFFFAOYSA-N 1 0 392.244 2.370 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000577435427 652187925 /nfs/dbraw/zinc/18/79/25/652187925.db2.gz OPXFTFULWVXVFQ-HUUCEWRRSA-N 1 0 375.579 2.062 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000577461722 652189453 /nfs/dbraw/zinc/18/94/53/652189453.db2.gz HITBSAOOBXWZIF-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000657679408 652190383 /nfs/dbraw/zinc/19/03/83/652190383.db2.gz ADAHTNJBSMMIQQ-GFCCVEGCSA-N 1 0 396.260 2.308 20 0 GEADRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cn1 ZINC000657687320 652190996 /nfs/dbraw/zinc/19/09/96/652190996.db2.gz HEKSVVDXQFKZAO-ZBFHGGJFSA-N 1 0 382.917 2.222 20 0 GEADRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cn1 ZINC000657687313 652191097 /nfs/dbraw/zinc/19/10/97/652191097.db2.gz HEKSVVDXQFKZAO-GDBMZVCRSA-N 1 0 382.917 2.222 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657729693 652198101 /nfs/dbraw/zinc/19/81/01/652198101.db2.gz QPLUNMBJTOFNIP-RNCFNFMXSA-N 1 0 384.249 2.126 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657729695 652198333 /nfs/dbraw/zinc/19/83/33/652198333.db2.gz QPLUNMBJTOFNIP-ZANVPECISA-N 1 0 384.249 2.126 20 0 GEADRO CN1CCN(C(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)[C@@H](C[NH3+])C1 ZINC000577593659 652199189 /nfs/dbraw/zinc/19/91/89/652199189.db2.gz ULSAKAFPPNGGKX-HOCLYGCPSA-N 1 0 395.345 2.357 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657752596 652200913 /nfs/dbraw/zinc/20/09/13/652200913.db2.gz QMBFRYDQMPRYCD-INIZCTEOSA-N 1 0 386.945 2.477 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000577609914 652201638 /nfs/dbraw/zinc/20/16/38/652201638.db2.gz SLXHTBPSJINPRA-NEPJUHHUSA-N 1 0 389.905 2.103 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000657757805 652201715 /nfs/dbraw/zinc/20/17/15/652201715.db2.gz PTWPHDPIOMZKFH-UHFFFAOYSA-N 1 0 378.288 2.220 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000577626882 652202582 /nfs/dbraw/zinc/20/25/82/652202582.db2.gz XCRSYPAAEVPYNE-UHFFFAOYSA-N 1 0 383.901 2.117 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657772754 652204095 /nfs/dbraw/zinc/20/40/95/652204095.db2.gz PPRUSBVYWFDXSW-UHFFFAOYSA-N 1 0 378.885 2.104 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@@H+]1C ZINC000657856150 652211265 /nfs/dbraw/zinc/21/12/65/652211265.db2.gz LQNUFDRCDQACTP-GHMZBOCLSA-N 1 0 386.265 2.468 20 0 GEADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000657858316 652211470 /nfs/dbraw/zinc/21/14/70/652211470.db2.gz ZHJGPEUGDWSPAQ-KRWDZBQOSA-N 1 0 382.346 2.380 20 0 GEADRO [NH3+]C1CCC(OCC(=O)N2CCOc3ccc(Br)cc3C2)CC1 ZINC000577749823 652213204 /nfs/dbraw/zinc/21/32/04/652213204.db2.gz WJMGBNORCXKUJK-UHFFFAOYSA-N 1 0 383.286 2.457 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623017130 652215234 /nfs/dbraw/zinc/21/52/34/652215234.db2.gz YTGJHXCQVNMYMA-GFCCVEGCSA-N 1 0 393.289 2.029 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623031523 652218422 /nfs/dbraw/zinc/21/84/22/652218422.db2.gz KYPJDDPNHUJOSI-GFCCVEGCSA-N 1 0 393.289 2.027 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000748844553 652220128 /nfs/dbraw/zinc/22/01/28/652220128.db2.gz SBABROXOTQFWIL-ZDUSSCGKSA-N 1 0 392.301 2.490 20 0 GEADRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cncc(Br)c1 ZINC000657951393 652220957 /nfs/dbraw/zinc/22/09/57/652220957.db2.gz VICPMUCHVJMRET-PGUXBMHVSA-N 1 0 378.274 2.422 20 0 GEADRO O=C(CC[NH2+]CCc1nnc2n1CCC2)Nc1ccc(Br)cc1 ZINC000577841272 652220888 /nfs/dbraw/zinc/22/08/88/652220888.db2.gz FNMWMMIMXLQJHC-UHFFFAOYSA-N 1 0 378.274 2.148 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000623060868 652221530 /nfs/dbraw/zinc/22/15/30/652221530.db2.gz QBYCKVBXEZTVSV-AAEUAGOBSA-N 1 0 378.274 2.096 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000623064871 652221662 /nfs/dbraw/zinc/22/16/62/652221662.db2.gz IUXYTURGKDVATM-JSGCOSHPSA-N 1 0 392.301 2.486 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000623070413 652222342 /nfs/dbraw/zinc/22/23/42/652222342.db2.gz HHNCKAJTOCTGGN-CQSZACIVSA-N 1 0 392.301 2.342 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc2)C1 ZINC000577910725 652228257 /nfs/dbraw/zinc/22/82/57/652228257.db2.gz SNAZOIJDLMIIGU-WFASDCNBSA-N 1 0 380.432 2.120 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)sc1C(F)(F)F ZINC000577926855 652229090 /nfs/dbraw/zinc/22/90/90/652229090.db2.gz LEVFTHQWMMCYMZ-SECBINFHSA-N 1 0 376.404 2.009 20 0 GEADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cccc(CO)c1 ZINC000658091283 652235838 /nfs/dbraw/zinc/23/58/38/652235838.db2.gz DDIXDJJCEWAKDA-GFCCVEGCSA-N 1 0 378.270 2.417 20 0 GEADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cc2n(n1)CCC2 ZINC000658095728 652236526 /nfs/dbraw/zinc/23/65/26/652236526.db2.gz KQHFKEDSOOIKCK-LLVKDONJSA-N 1 0 378.274 2.067 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000623462917 652239221 /nfs/dbraw/zinc/23/92/21/652239221.db2.gz ZTQAOGGWCVVXNF-GFCCVEGCSA-N 1 0 385.306 2.384 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000578069038 652240957 /nfs/dbraw/zinc/24/09/57/652240957.db2.gz JIPYETUWVKCBSQ-CQSZACIVSA-N 1 0 396.285 2.288 20 0 GEADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000658204926 652243303 /nfs/dbraw/zinc/24/33/03/652243303.db2.gz DRHWWQFWUIGPDJ-CQSZACIVSA-N 1 0 388.555 2.456 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000578116239 652244383 /nfs/dbraw/zinc/24/43/83/652244383.db2.gz GDYSZJRXASCURJ-LLVKDONJSA-N 1 0 385.287 2.196 20 0 GEADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1nnc(SCc2cccs2)s1 ZINC000578129527 652245983 /nfs/dbraw/zinc/24/59/83/652245983.db2.gz LLSOABTXKCTVLA-LLVKDONJSA-N 1 0 397.551 2.089 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578131992 652246983 /nfs/dbraw/zinc/24/69/83/652246983.db2.gz HIDSZAOJQUIWSJ-QWHCGFSZSA-N 1 0 386.901 2.121 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658249930 652247353 /nfs/dbraw/zinc/24/73/53/652247353.db2.gz GQVMVRPHNJNJPQ-JQWIXIFHSA-N 1 0 391.331 2.156 20 0 GEADRO C[NH+](C)CCOC1CCN(Cc2ncc(I)s2)CC1 ZINC000578174604 652250863 /nfs/dbraw/zinc/25/08/63/652250863.db2.gz CHLHHJWAUYXJRZ-UHFFFAOYSA-N 1 0 395.310 2.290 20 0 GEADRO CCn1nnc(C)c1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623645387 652251343 /nfs/dbraw/zinc/25/13/43/652251343.db2.gz ZYWJWNBCVUTSMR-KRWDZBQOSA-N 1 0 379.302 2.379 20 0 GEADRO Fc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1Br ZINC000623654255 652252839 /nfs/dbraw/zinc/25/28/39/652252839.db2.gz ZSZSMNDAACYGFC-LBPRGKRZSA-N 1 0 391.248 2.394 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)NCc1ccc(Br)c(F)c1F ZINC000623664002 652252844 /nfs/dbraw/zinc/25/28/44/652252844.db2.gz KWOBBEABJALZPO-UHFFFAOYSA-N 1 0 394.260 2.495 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCSc4ccc(Cl)cc43)C[C@H]12 ZINC000578227120 652254379 /nfs/dbraw/zinc/25/43/79/652254379.db2.gz VXCXREZSEQLTHB-KAOXEZKKSA-N 1 0 379.913 2.189 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000658360324 652255258 /nfs/dbraw/zinc/25/52/58/652255258.db2.gz GTOUCELMBCRFSS-GFCCVEGCSA-N 1 0 398.301 2.257 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NCc1ccc(Br)c(F)c1F ZINC000623710066 652255229 /nfs/dbraw/zinc/25/52/29/652255229.db2.gz SMQXYSORVOCNOH-UHFFFAOYSA-N 1 0 394.260 2.495 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000578231535 652255296 /nfs/dbraw/zinc/25/52/96/652255296.db2.gz IKIWZCBZLFSDMP-SMDDNHRTSA-N 1 0 383.286 2.397 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000623724057 652256342 /nfs/dbraw/zinc/25/63/42/652256342.db2.gz RUDDOURUUQUDON-NSHDSACASA-N 1 0 385.306 2.382 20 0 GEADRO CCN(C(=O)C(=O)Nc1nc(-c2sccc2C)ns1)[C@@H]1CC[N@H+](C)C1 ZINC000658361782 652256599 /nfs/dbraw/zinc/25/65/99/652256599.db2.gz PVTXZJJSWQCWAP-LLVKDONJSA-N 1 0 379.511 2.066 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000658370083 652258513 /nfs/dbraw/zinc/25/85/13/652258513.db2.gz JYFCRUZSEKDMGK-OLZOCXBDSA-N 1 0 377.279 2.244 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000658374359 652259341 /nfs/dbraw/zinc/25/93/41/652259341.db2.gz VALWMCZLYCAQGP-AWEZNQCLSA-N 1 0 377.279 2.103 20 0 GEADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]CC2COC2)c1 ZINC000623761796 652259389 /nfs/dbraw/zinc/25/93/89/652259389.db2.gz ZZSLOAYRVIEZCE-UHFFFAOYSA-N 1 0 375.296 2.440 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000658380013 652260704 /nfs/dbraw/zinc/26/07/04/652260704.db2.gz DQYIEEIIAKWJDJ-CYBMUJFWSA-N 1 0 393.278 2.017 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCn2cc(Br)ccc2=O)C[C@H]1C ZINC000578320611 652262230 /nfs/dbraw/zinc/26/22/30/652262230.db2.gz KCNZJPPNQGKVKG-HIFRSBDPSA-N 1 0 399.333 2.125 20 0 GEADRO O=S(=O)(c1ncccc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658386669 652263736 /nfs/dbraw/zinc/26/37/36/652263736.db2.gz VQCIPBDONXSODZ-CYBMUJFWSA-N 1 0 388.331 2.244 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)NCC1(c2ccccc2Br)CCC1 ZINC000578336202 652263703 /nfs/dbraw/zinc/26/37/03/652263703.db2.gz SMEQVWMDTSXTFY-ZDUSSCGKSA-N 1 0 382.302 2.158 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])s1 ZINC000658398133 652265351 /nfs/dbraw/zinc/26/53/51/652265351.db2.gz NYDBTALOTITYBM-UMVBOHGHSA-N 1 0 387.571 2.473 20 0 GEADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000623878499 652265481 /nfs/dbraw/zinc/26/54/81/652265481.db2.gz JSYRGFCHPTXBHZ-LLVKDONJSA-N 1 0 378.826 2.048 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000658403029 652265889 /nfs/dbraw/zinc/26/58/89/652265889.db2.gz YHBCMDWFEKHGGH-NSHDSACASA-N 1 0 389.315 2.411 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000624096603 652269966 /nfs/dbraw/zinc/26/99/66/652269966.db2.gz DCHSJAFYFZHLPY-UONOGXRCSA-N 1 0 375.485 2.331 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)ccc1S(C)(=O)=O ZINC000624095771 652270180 /nfs/dbraw/zinc/27/01/80/652270180.db2.gz MDXBOZQOWLPYOW-OCCSQVGLSA-N 1 0 376.469 2.479 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F)[NH+](C)C ZINC000658428861 652270282 /nfs/dbraw/zinc/27/02/82/652270282.db2.gz TYSSUQDISNQSBL-MRVPVSSYSA-N 1 0 378.217 2.122 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1cccc2cncc(Br)c21)[NH+](C)C ZINC000658427713 652270446 /nfs/dbraw/zinc/27/04/46/652270446.db2.gz OPWOKCUPBBLETN-NSHDSACASA-N 1 0 393.285 2.392 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)cc1Cl ZINC000658429196 652271050 /nfs/dbraw/zinc/27/10/50/652271050.db2.gz UDWUNVVNPLVSNU-UHFFFAOYSA-N 1 0 389.327 2.240 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)cn1 ZINC000624117469 652271478 /nfs/dbraw/zinc/27/14/78/652271478.db2.gz PJBRRRDWSAGALA-YPMHNXCESA-N 1 0 388.273 2.211 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)[C@H](C[NH3+])C1 ZINC000578443654 652273758 /nfs/dbraw/zinc/27/37/58/652273758.db2.gz OWRCHVXUKCMRGS-UONOGXRCSA-N 1 0 393.285 2.418 20 0 GEADRO C[C@H]1C[C@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)c2cccc(Br)c21 ZINC000624281112 652279265 /nfs/dbraw/zinc/27/92/65/652279265.db2.gz ZOCXTPHWQQMFFB-HZMBPMFUSA-N 1 0 388.331 2.078 20 0 GEADRO OCCCC[NH+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000750052054 652279861 /nfs/dbraw/zinc/27/98/61/652279861.db2.gz DGTIRLFSMAZYQI-CQSZACIVSA-N 1 0 377.312 2.123 20 0 GEADRO CN(C)S(=O)(=O)N1CC([NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C1 ZINC000624285471 652280813 /nfs/dbraw/zinc/28/08/13/652280813.db2.gz UGGDBMLSBPTACT-INIZCTEOSA-N 1 0 382.917 2.279 20 0 GEADRO O=S(=O)(NCC[NH2+]C1CCCCCC1)c1cccnc1OCC(F)F ZINC000624357097 652283204 /nfs/dbraw/zinc/28/32/04/652283204.db2.gz FVXKKLITNMMANG-UHFFFAOYSA-N 1 0 377.457 2.316 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000624358770 652283300 /nfs/dbraw/zinc/28/33/00/652283300.db2.gz TWWAHAHLULKUPT-LLVKDONJSA-N 1 0 377.279 2.412 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000624376070 652284655 /nfs/dbraw/zinc/28/46/55/652284655.db2.gz HIKJRQNDCCPWGN-YGRLFVJLSA-N 1 0 377.279 2.399 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cccnc2OCC(F)F)[C@@H]1CCC[NH3+] ZINC000624375980 652284710 /nfs/dbraw/zinc/28/47/10/652284710.db2.gz DQPUGBWPLDQENY-CHWSQXEVSA-N 1 0 377.457 2.254 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000658539791 652285928 /nfs/dbraw/zinc/28/59/28/652285928.db2.gz HUZZTELFQRVLIC-UHFFFAOYSA-N 1 0 398.301 2.195 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000624390607 652286398 /nfs/dbraw/zinc/28/63/98/652286398.db2.gz DYNXCJIRUYGTEB-ONGXEEELSA-N 1 0 386.823 2.496 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624390599 652286500 /nfs/dbraw/zinc/28/65/00/652286500.db2.gz DXFTUZSZYXTOKC-KOLCDFICSA-N 1 0 386.823 2.496 20 0 GEADRO CC(C)(C)c1nc2ccc(S(=O)(=O)NCC3([NH3+])CCOCC3)cc2s1 ZINC000624386690 652286555 /nfs/dbraw/zinc/28/65/55/652286555.db2.gz TWGIFUWWAFIAMP-UHFFFAOYSA-N 1 0 383.539 2.380 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1N(C)C ZINC000624390781 652287255 /nfs/dbraw/zinc/28/72/55/652287255.db2.gz IFHMUKSMYZTTMN-OCCSQVGLSA-N 1 0 379.448 2.209 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000624392549 652289814 /nfs/dbraw/zinc/28/98/14/652289814.db2.gz UDWFCKZIRPLQLN-RKDXNWHRSA-N 1 0 391.337 2.248 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000624405070 652291106 /nfs/dbraw/zinc/29/11/06/652291106.db2.gz BFFSANYALLIDHR-QWRGUYRKSA-N 1 0 377.304 2.267 20 0 GEADRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C[NH2+]1 ZINC000624405215 652291129 /nfs/dbraw/zinc/29/11/29/652291129.db2.gz GACDAMJODQRLSX-VNHYZAJKSA-N 1 0 388.917 2.174 20 0 GEADRO [NH3+]CCCOCCNS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000624408543 652291817 /nfs/dbraw/zinc/29/18/17/652291817.db2.gz XPQGEKTZPWXZDF-UHFFFAOYSA-N 1 0 387.299 2.246 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000624414832 652292204 /nfs/dbraw/zinc/29/22/04/652292204.db2.gz GINPNODZNUWKCE-NWANDNLSSA-N 1 0 388.917 2.317 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br ZINC000624415591 652292957 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COC[C@]1(CNC(=O)N2CCc3sc(Br)cc3C2)CCC[NH2+]1 ZINC000659542001 652360516 /nfs/dbraw/zinc/36/05/16/652360516.db2.gz LYTSFHQAKIQEOY-OAHLLOKOSA-N 1 0 388.331 2.347 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659547706 652360657 /nfs/dbraw/zinc/36/06/57/652360657.db2.gz AHQLWOCEUWZLJU-INIZCTEOSA-N 1 0 396.329 2.450 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000579951643 652360984 /nfs/dbraw/zinc/36/09/84/652360984.db2.gz WWWVNHPMCWEMQJ-LNSITVRQSA-N 1 0 386.901 2.183 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C2=O)ccc1Br ZINC000579954172 652361321 /nfs/dbraw/zinc/36/13/21/652361321.db2.gz HMWJAWFTSSTYDN-UONOGXRCSA-N 1 0 382.302 2.352 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000659625714 652361653 /nfs/dbraw/zinc/36/16/53/652361653.db2.gz XRAVCQCDBZZKRO-WCQYABFASA-N 1 0 378.300 2.406 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000659622941 652361693 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CN1CC[C@H]([NH+]2CCC(NC(=O)c3csc(C(F)(F)F)c3)CC2)C1=O ZINC000627233392 652419867 /nfs/dbraw/zinc/41/98/67/652419867.db2.gz QVXMKLHQWJMDSB-LBPRGKRZSA-N 1 0 375.416 2.192 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000627241030 652419879 /nfs/dbraw/zinc/41/98/79/652419879.db2.gz HYWYILWUTXIEGZ-BLLLJJGKSA-N 1 0 399.308 2.166 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143304 652420442 /nfs/dbraw/zinc/42/04/42/652420442.db2.gz YTUCETCNBPYFSS-CYBMUJFWSA-N 1 0 378.274 2.310 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)NCC(=O)OCc2ccccc2Cl)CCSC1 ZINC000753911295 652420520 /nfs/dbraw/zinc/42/05/20/652420520.db2.gz JBFWLIHBTXUSAI-KRWDZBQOSA-N 1 0 385.917 2.120 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627314617 652422274 /nfs/dbraw/zinc/42/22/74/652422274.db2.gz IHJNQEKFYUMPCF-HNNXBMFYSA-N 1 0 384.307 2.443 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000627334367 652423455 /nfs/dbraw/zinc/42/34/55/652423455.db2.gz OOHGMBLPPPTHCU-DLBZAZTESA-N 1 0 391.313 2.449 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000627340029 652423811 /nfs/dbraw/zinc/42/38/11/652423811.db2.gz XXNKJBHSMTZUOO-UKRRQHHQSA-N 1 0 379.913 2.394 20 0 GEADRO CCC(C)(C)[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000661231067 652423983 /nfs/dbraw/zinc/42/39/83/652423983.db2.gz HWMYWTWDGAVTIU-AWEZNQCLSA-N 1 0 390.571 2.125 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000661268929 652425845 /nfs/dbraw/zinc/42/58/45/652425845.db2.gz XTEAFEQZAZCRPH-LBPRGKRZSA-N 1 0 384.322 2.389 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000581825842 652426117 /nfs/dbraw/zinc/42/61/17/652426117.db2.gz KGYVFMFXOPPWQV-JTQLQIEISA-N 1 0 396.310 2.404 20 0 GEADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000627416167 652427448 /nfs/dbraw/zinc/42/74/48/652427448.db2.gz OPPBVJMUIXYRTE-JSGCOSHPSA-N 1 0 394.313 2.151 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)c2c(F)ccc(C(F)(F)F)c2Br)C[C@@H]1O ZINC000627425035 652427741 /nfs/dbraw/zinc/42/77/41/652427741.db2.gz CCWHFIXWVRQSDV-UWVGGRQHSA-N 1 0 399.182 2.354 20 0 GEADRO O=C(COc1ccc(I)cc1)NCCC[C@@H]1CCC[NH2+]1 ZINC000581938404 652428260 /nfs/dbraw/zinc/42/82/60/652428260.db2.gz WQRFFWVPVNITRK-ZDUSSCGKSA-N 1 0 388.249 2.318 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581943420 652428272 /nfs/dbraw/zinc/42/82/72/652428272.db2.gz GJKZBOMQOJUQQJ-PWSUYJOCSA-N 1 0 393.734 2.474 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661377972 652429634 /nfs/dbraw/zinc/42/96/34/652429634.db2.gz YBHZJFOUNGVLBJ-OAHLLOKOSA-N 1 0 376.328 2.055 20 0 GEADRO CO[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000661397810 652430774 /nfs/dbraw/zinc/43/07/74/652430774.db2.gz WRGSPTWFYAJFRO-KBXCAEBGSA-N 1 0 399.329 2.269 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000661404604 652430999 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0 GEADRO C[C@@H]1C[N@@H+](C[C@@H](O)CNc2cccc(I)c2)C[C@H](C)O1 ZINC000582117074 652436233 /nfs/dbraw/zinc/43/62/33/652436233.db2.gz CREFZFOMWZYAOJ-ZOWXZIJZSA-N 1 0 390.265 2.173 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000754472456 652437155 /nfs/dbraw/zinc/43/71/55/652437155.db2.gz XGBRKXUKCPPBDG-CYBMUJFWSA-N 1 0 383.290 2.339 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@H]21 ZINC000627650465 652437253 /nfs/dbraw/zinc/43/72/53/652437253.db2.gz JYQMMARZPDQCID-FOLVSLTJSA-N 1 0 375.270 2.267 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]21 ZINC000627649345 652437333 /nfs/dbraw/zinc/43/73/33/652437333.db2.gz SOMDEQHOTXMNTJ-FOCJUVANSA-N 1 0 382.291 2.365 20 0 GEADRO COC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000754519764 652437882 /nfs/dbraw/zinc/43/78/82/652437882.db2.gz HZNJITPDXKCOTN-CQSZACIVSA-N 1 0 390.299 2.154 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000582188844 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2.394 20 0 GEADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1c(C)onc1N)c1ccc(Cl)cc1 ZINC000582388574 652448158 /nfs/dbraw/zinc/44/81/58/652448158.db2.gz SYNXSYNFTAVAEE-AWEZNQCLSA-N 1 0 386.905 2.580 20 0 GEADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000582408621 652448851 /nfs/dbraw/zinc/44/88/51/652448851.db2.gz VAPJQIZGBNEUTB-ZJUUUORDSA-N 1 0 388.212 2.019 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1F ZINC000754876986 652450000 /nfs/dbraw/zinc/45/00/00/652450000.db2.gz UUOCMKODPNYASL-UHFFFAOYSA-N 1 0 385.486 2.256 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)CCSC1 ZINC000754872556 652450062 /nfs/dbraw/zinc/45/00/62/652450062.db2.gz DLLOGJVXAXCKTN-HOTGVXAUSA-N 1 0 376.444 2.466 20 0 GEADRO O[C@H](COc1ccc(Cl)cc1Cl)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662162109 652450060 /nfs/dbraw/zinc/45/00/60/652450060.db2.gz ZWVCUEZZDDJZLY-HOTGVXAUSA-N 1 0 389.323 2.264 20 0 GEADRO Cc1cnn([C@H]2CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)c1 ZINC000582455276 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GEADRO CN(Cc1cc(Br)cs1)C(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662328344 652456157 /nfs/dbraw/zinc/45/61/57/652456157.db2.gz DTKLAWHDNIQTDA-JTQLQIEISA-N 1 0 388.253 2.290 20 0 GEADRO CN(CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H](C[NH3+])C(F)(F)F ZINC000662332877 652456321 /nfs/dbraw/zinc/45/63/21/652456321.db2.gz YQYHWJZOYUPPSC-CYBMUJFWSA-N 1 0 381.782 2.261 20 0 GEADRO O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000662370133 652457510 /nfs/dbraw/zinc/45/75/10/652457510.db2.gz LRBKHHYCXLIONU-UHFFFAOYSA-N 1 0 377.491 2.186 20 0 GEADRO CC(C)Nc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000582668927 652458565 /nfs/dbraw/zinc/45/85/65/652458565.db2.gz QKMTWLIVTLTCEN-AWEZNQCLSA-N 1 0 397.317 2.466 20 0 GEADRO OC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)C1CCOCC1 ZINC000582685966 652458865 /nfs/dbraw/zinc/45/88/65/652458865.db2.gz CCFAVQRYULYLKI-OAHLLOKOSA-N 1 0 386.286 2.488 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662427947 652460599 /nfs/dbraw/zinc/46/05/99/652460599.db2.gz FQHCGFQTOCZQPL-UHFFFAOYSA-N 1 0 388.331 2.084 20 0 GEADRO O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)C1(O)C[NH2+]C1 ZINC000662438407 652460956 /nfs/dbraw/zinc/46/09/56/652460956.db2.gz QRAGOKLISXRRNR-UHFFFAOYSA-N 1 0 391.305 2.410 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000662457357 652462216 /nfs/dbraw/zinc/46/22/16/652462216.db2.gz HJIFNNCQGDBPQR-UHFFFAOYSA-N 1 0 382.237 2.034 20 0 GEADRO C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000662486025 652463734 /nfs/dbraw/zinc/46/37/34/652463734.db2.gz UXARYFDQHBUWTE-NWDGAFQWSA-N 1 0 393.285 2.446 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(Cl)cccc1Br ZINC000628585695 652463911 /nfs/dbraw/zinc/46/39/11/652463911.db2.gz SQQRFHHBCBQMQA-LBPRGKRZSA-N 1 0 388.693 2.172 20 0 GEADRO C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)Oc1ccccc1Br ZINC000662490533 652464173 /nfs/dbraw/zinc/46/41/73/652464173.db2.gz QJSJJFBMMQYJQO-RYUDHWBXSA-N 1 0 393.285 2.446 20 0 GEADRO O=C(CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000662515560 652465598 /nfs/dbraw/zinc/46/55/98/652465598.db2.gz WMWSRLWGECZHGL-CYBMUJFWSA-N 1 0 394.191 2.046 20 0 GEADRO O=C(NCCOc1cccc(Br)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662527296 652466149 /nfs/dbraw/zinc/46/61/49/652466149.db2.gz SPQRHGGTDCFPSE-ZDUSSCGKSA-N 1 0 381.192 2.486 20 0 GEADRO Cc1csc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1I ZINC000582904288 652466300 /nfs/dbraw/zinc/46/63/00/652466300.db2.gz KGEBJJFLOIXNSB-SSDOTTSWSA-N 1 0 386.205 2.388 20 0 GEADRO O=C(NC1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1)c1ccsc1 ZINC000662535677 652466353 /nfs/dbraw/zinc/46/63/53/652466353.db2.gz SWUKFHDNUHEXKI-OAHLLOKOSA-N 1 0 375.416 2.011 20 0 GEADRO CC1(C)CC[NH2+][C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000662549503 652467743 /nfs/dbraw/zinc/46/77/43/652467743.db2.gz SHCBKWUASUSMOO-ZDUSSCGKSA-N 1 0 378.274 2.416 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1=O ZINC000582943040 652467849 /nfs/dbraw/zinc/46/78/49/652467849.db2.gz OWTRGDLKYVYUDQ-DVOMOZLQSA-N 1 0 384.307 2.376 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000582973702 652469231 /nfs/dbraw/zinc/46/92/31/652469231.db2.gz HHUJOECTJQIZQF-WDEREUQCSA-N 1 0 387.265 2.498 20 0 GEADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662607316 652469258 /nfs/dbraw/zinc/46/92/58/652469258.db2.gz LTLSILLABYYFTQ-NSHDSACASA-N 1 0 391.331 2.055 20 0 GEADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1c[nH]c(=O)c(Br)c1 ZINC000662686244 652470774 /nfs/dbraw/zinc/47/07/74/652470774.db2.gz LBUJZWMFOUYTKL-AWEZNQCLSA-N 1 0 378.226 2.463 20 0 GEADRO CC(C)(C)N1C[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1=O ZINC000662707652 652471081 /nfs/dbraw/zinc/47/10/81/652471081.db2.gz GKVJOONAMQRWFR-XIKOKIGWSA-N 1 0 396.329 2.386 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000662726832 652471534 /nfs/dbraw/zinc/47/15/34/652471534.db2.gz NCHHQZWHPUWBQC-LSDHHAIUSA-N 1 0 382.302 2.292 20 0 GEADRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCOc2cc(Br)ccc2C1 ZINC000662743097 652472422 /nfs/dbraw/zinc/47/24/22/652472422.db2.gz ZEYXFMFIEUUHAZ-LLVKDONJSA-N 1 0 391.269 2.284 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc(Br)s2)CC1 ZINC000662744646 652472842 /nfs/dbraw/zinc/47/28/42/652472842.db2.gz BJVRNQILMSANEB-UHFFFAOYSA-N 1 0 388.331 2.231 20 0 GEADRO COc1cc(C[N@@H+]2CC[C@@H](NC(=S)NCCCSC)C2)cc(OC)c1 ZINC000755715899 652473441 /nfs/dbraw/zinc/47/34/41/652473441.db2.gz XJHFLHCBOPEWQI-OAHLLOKOSA-N 1 0 383.583 2.495 20 0 GEADRO Cc1c2cc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)[nH]c2ccc1Br ZINC000662779526 652474354 /nfs/dbraw/zinc/47/43/54/652474354.db2.gz KSOWXEFUJBAWGK-ZDUSSCGKSA-N 1 0 391.313 2.359 20 0 GEADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c2ccccc12 ZINC000755742689 652474603 /nfs/dbraw/zinc/47/46/03/652474603.db2.gz CNBLXSOXNZCKHL-GFCCVEGCSA-N 1 0 394.269 2.201 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3[NH2+]CCC3(C)C)C2=O)ccc1Br ZINC000662800808 652475109 /nfs/dbraw/zinc/47/51/09/652475109.db2.gz PRVRBFRWBNBQKS-GJZGRUSLSA-N 1 0 394.313 2.367 20 0 GEADRO C[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@@H]1C[NH3+] ZINC000662814613 652475423 /nfs/dbraw/zinc/47/54/23/652475423.db2.gz QLJWHHFBIUETDF-YUDUHTQSSA-N 1 0 382.302 2.365 20 0 GEADRO O=C(C[C@H]1COCC[NH2+]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862289 652476569 /nfs/dbraw/zinc/47/65/69/652476569.db2.gz JSSWBEKOHAZBCR-LBPRGKRZSA-N 1 0 378.270 2.194 20 0 GEADRO COC[C@@]1(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CC[NH2+]C1 ZINC000662862464 652476609 /nfs/dbraw/zinc/47/66/09/652476609.db2.gz PQEPJAIWWKBOSJ-GOSISDBHSA-N 1 0 392.297 2.441 20 0 GEADRO [NH3+][C@@H](CC(F)F)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000583201443 652476684 /nfs/dbraw/zinc/47/66/84/652476684.db2.gz DZFSKOYAJKBGRK-VIFPVBQESA-N 1 0 375.173 2.098 20 0 GEADRO C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)N1CCN(C)CC1 ZINC000628968857 652476889 /nfs/dbraw/zinc/47/68/89/652476889.db2.gz SZYZYSGPPLFTJD-GUYCJALGSA-N 1 0 387.355 2.348 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNc2ncc3scc(Br)c3n2)CC1 ZINC000583214957 652477740 /nfs/dbraw/zinc/47/77/40/652477740.db2.gz WHQWSMZZCWZJCS-NSHDSACASA-N 1 0 385.331 2.959 20 0 GEADRO [NH3+]CCc1nc(C(=O)N2CCOc3cc(Br)ccc3C2)cs1 ZINC000662938032 652478928 /nfs/dbraw/zinc/47/89/28/652478928.db2.gz BCQRCQDRIHALES-UHFFFAOYSA-N 1 0 382.283 2.442 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H](C)C[NH2+]C ZINC000662958528 652479437 /nfs/dbraw/zinc/47/94/37/652479437.db2.gz DXVCYWUHLMDZBJ-DOMZBBRYSA-N 1 0 399.333 2.141 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000662960954 652479442 /nfs/dbraw/zinc/47/94/42/652479442.db2.gz CKICDAXGCYEOJN-JTQLQIEISA-N 1 0 378.274 2.245 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000662961485 652479731 /nfs/dbraw/zinc/47/97/31/652479731.db2.gz CARFNHNIDIMJFR-ZIAGYGMSSA-N 1 0 396.329 2.334 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)C2 ZINC000662992346 652480568 /nfs/dbraw/zinc/48/05/68/652480568.db2.gz GCUUODRFYDBGTG-CHWSQXEVSA-N 1 0 394.313 2.186 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)C2 ZINC000662993359 652480928 /nfs/dbraw/zinc/48/09/28/652480928.db2.gz NORXEFFLFIZUQV-BXUZGUMPSA-N 1 0 394.313 2.043 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000583380984 652482371 /nfs/dbraw/zinc/48/23/71/652482371.db2.gz QGSOTIWTBFOWAP-CYBMUJFWSA-N 1 0 388.917 2.367 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000583396336 652483071 /nfs/dbraw/zinc/48/30/71/652483071.db2.gz OEXZGVMHWACQLQ-XJKCOSOUSA-N 1 0 396.329 2.095 20 0 GEADRO CC(C)C(=O)N1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000583432669 652484763 /nfs/dbraw/zinc/48/47/63/652484763.db2.gz MHTQHOYFGXBEDG-MRXNPFEDSA-N 1 0 399.329 2.425 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000583629470 652492047 /nfs/dbraw/zinc/49/20/47/652492047.db2.gz JRBNXSBPIUWUDV-ODWCKFRGSA-N 1 0 395.297 2.450 20 0 GEADRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c(Br)c1 ZINC000663309240 652492704 /nfs/dbraw/zinc/49/27/04/652492704.db2.gz BEDICASACYYWOX-JTQLQIEISA-N 1 0 375.210 2.268 20 0 GEADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000663309379 652492770 /nfs/dbraw/zinc/49/27/70/652492770.db2.gz OAGFRKFPQZGODD-LLVKDONJSA-N 1 0 389.237 2.409 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC[C@@H]1C(F)(F)F ZINC000629561923 652493561 /nfs/dbraw/zinc/49/35/61/652493561.db2.gz LISBUXYTAGTCLV-WOPDTQHZSA-N 1 0 375.357 2.246 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CC=C(c2cccc(Br)c2)CC1 ZINC000583683478 652494065 /nfs/dbraw/zinc/49/40/65/652494065.db2.gz WEYMMLYSIWOBPL-MRXNPFEDSA-N 1 0 380.286 2.236 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1F)COC1CCOCC1 ZINC000629597070 652494632 /nfs/dbraw/zinc/49/46/32/652494632.db2.gz FDTVKCBDELMCJJ-NSHDSACASA-N 1 0 380.229 2.373 20 0 GEADRO O=S(=O)(CC[NH2+]CC1CCC(O)CC1)c1cccc(Br)c1 ZINC000663364226 652495147 /nfs/dbraw/zinc/49/51/47/652495147.db2.gz GCTQEERYOGKOBG-UHFFFAOYSA-N 1 0 376.316 2.364 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)Nc1ccc(I)cc1F ZINC000583704876 652495173 /nfs/dbraw/zinc/49/51/73/652495173.db2.gz UYEJYCGTOQBOAD-UHFFFAOYSA-N 1 0 375.185 2.472 20 0 GEADRO CCCN1CC[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000663365724 652495486 /nfs/dbraw/zinc/49/54/86/652495486.db2.gz RKLPKLKACHZEEY-LSDHHAIUSA-N 1 0 375.282 2.402 20 0 GEADRO O[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1cccc(Br)c1 ZINC000663364554 652495536 /nfs/dbraw/zinc/49/55/36/652495536.db2.gz RTCAOAAIYPTDDH-IRXDYDNUSA-N 1 0 399.329 2.032 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000663364725 652495583 /nfs/dbraw/zinc/49/55/83/652495583.db2.gz VCODJCYNKDLZHM-ZDUSSCGKSA-N 1 0 381.416 2.002 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)sc1C(F)(F)F ZINC000583786537 652497050 /nfs/dbraw/zinc/49/70/50/652497050.db2.gz HDVWVKJWDZSXQC-UHFFFAOYSA-N 1 0 378.420 2.209 20 0 GEADRO NS(=O)(=O)c1ccc2onc(NCC[N@@H+]3CCc4sccc4C3)c2c1 ZINC000663417050 652497296 /nfs/dbraw/zinc/49/72/96/652497296.db2.gz SMXWLBSMWOGTLZ-UHFFFAOYSA-N 1 0 378.479 2.007 20 0 GEADRO Brc1ccc(-c2nnc(CN[C@H](C3CC3)[C@H]3C[NH2+]CCO3)[nH]2)cc1 ZINC000583865855 652500504 /nfs/dbraw/zinc/50/05/04/652500504.db2.gz JUBJASJBBGFOFZ-GDBMZVCRSA-N 1 0 392.301 2.091 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000663442743 652500670 /nfs/dbraw/zinc/50/06/70/652500670.db2.gz KOJZRGBPCNLMPI-GFCCVEGCSA-N 1 0 385.306 2.335 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)c[nH]c2=O)CC[C@@H]1C(F)(F)F ZINC000630092614 652502268 /nfs/dbraw/zinc/50/22/68/652502268.db2.gz RMCFBCPSGIAEJO-XCBNKYQSSA-N 1 0 382.180 2.149 20 0 GEADRO Cc1nc(C)c(Br)c(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000663521757 652502574 /nfs/dbraw/zinc/50/25/74/652502574.db2.gz OGEDTLPLQQBBAA-ZDUSSCGKSA-N 1 0 384.322 2.211 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000583919936 652502764 /nfs/dbraw/zinc/50/27/64/652502764.db2.gz SWMZEOKGUZYJRR-UHFFFAOYSA-N 1 0 384.249 2.129 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000583940243 652503389 /nfs/dbraw/zinc/50/33/89/652503389.db2.gz WSMHFNMTINITIN-UHFFFAOYSA-N 1 0 380.432 2.403 20 0 GEADRO COc1cc[nH+]c(N2CCN(c3nnc4ccc(Br)cn43)CC2)c1 ZINC000663545199 652503577 /nfs/dbraw/zinc/50/35/77/652503577.db2.gz HOCUKWXTKVCFKX-UHFFFAOYSA-N 1 0 389.257 2.222 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)NCCc1ccc(Br)s1 ZINC000663544733 652503612 /nfs/dbraw/zinc/50/36/12/652503612.db2.gz QFBHSPPAXXOFJU-UHFFFAOYSA-N 1 0 391.379 2.236 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@]2(C)CC[NH2+]C2)ccc1Cl ZINC000663582155 652504630 /nfs/dbraw/zinc/50/46/30/652504630.db2.gz CGIDGABQSHANLP-INIZCTEOSA-N 1 0 388.921 2.244 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000584009989 652505806 /nfs/dbraw/zinc/50/58/06/652505806.db2.gz WDVNQNBTVXDVBA-GUTXKFCHSA-N 1 0 387.318 2.017 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000663604912 652505919 /nfs/dbraw/zinc/50/59/19/652505919.db2.gz OUJGBPRSRRRVJM-IUCAKERBSA-N 1 0 379.766 2.386 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000584005537 652505941 /nfs/dbraw/zinc/50/59/41/652505941.db2.gz XBKVQDBBOJPGDX-ZJUUUORDSA-N 1 0 395.294 2.358 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663605374 652506116 /nfs/dbraw/zinc/50/61/16/652506116.db2.gz SPPKSAOKNYJSKU-VIFPVBQESA-N 1 0 379.766 2.388 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663605431 652506214 /nfs/dbraw/zinc/50/62/14/652506214.db2.gz KCXQBWRELRFCNX-UHFFFAOYSA-N 1 0 377.750 2.127 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000663605679 652506235 /nfs/dbraw/zinc/50/62/35/652506235.db2.gz VDRTZEYQOBSTDB-DTWKUNHWSA-N 1 0 379.766 2.434 20 0 GEADRO C[C@@]1(NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[NH2+]C1 ZINC000663610110 652506378 /nfs/dbraw/zinc/50/63/78/652506378.db2.gz BTVGGKSNGMZRFA-QGZVFWFLSA-N 1 0 376.254 2.409 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)n1 ZINC000663613770 652506675 /nfs/dbraw/zinc/50/66/75/652506675.db2.gz JKSCUYVUKKOLJV-QGZVFWFLSA-N 1 0 376.507 2.409 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000584054408 652507479 /nfs/dbraw/zinc/50/74/79/652507479.db2.gz XPPPNUSUMMODJV-GHMZBOCLSA-N 1 0 396.285 2.067 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000584064425 652507793 /nfs/dbraw/zinc/50/77/93/652507793.db2.gz AVEAKROEMMWLKK-IUCAKERBSA-N 1 0 381.267 2.097 20 0 GEADRO O=c1cc(C[N@@H+](CCO)[C@@H]2CCCSC2)nc2ccc(Br)cn12 ZINC000584091009 652508973 /nfs/dbraw/zinc/50/89/73/652508973.db2.gz YXLVTDWZQFPBRW-CQSZACIVSA-N 1 0 398.326 2.147 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630731861 652513860 /nfs/dbraw/zinc/51/38/60/652513860.db2.gz ANNFLRVFHVTXGU-IXDOHACOSA-N 1 0 381.314 2.419 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@]3(C)CCC[NH2+]C3)C2=O)ccc1Br ZINC000584292525 652515475 /nfs/dbraw/zinc/51/54/75/652515475.db2.gz BIVZNUNCBQQRNA-YJBOKZPZSA-N 1 0 394.313 2.369 20 0 GEADRO CN(C)[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000631030495 652518423 /nfs/dbraw/zinc/51/84/23/652518423.db2.gz RALJVBHIYRDLJF-INIZCTEOSA-N 1 0 381.929 2.250 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000584412681 652520179 /nfs/dbraw/zinc/52/01/79/652520179.db2.gz WQYKPPMQOKHFEM-LBPRGKRZSA-N 1 0 376.906 2.256 20 0 GEADRO Brc1ccc2nnc(N3CCC[C@H]([NH+]4CCOCC4)CC3)n2c1 ZINC000664079533 652520253 /nfs/dbraw/zinc/52/02/53/652520253.db2.gz LPOYKKHBAYICDQ-AWEZNQCLSA-N 1 0 380.290 2.183 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(F)cc1Br ZINC000631108615 652520248 /nfs/dbraw/zinc/52/02/48/652520248.db2.gz YVAMROVTWNFNGM-SMDDNHRTSA-N 1 0 389.265 2.322 20 0 GEADRO COc1cc(Cl)c(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1OC ZINC000631107861 652520263 /nfs/dbraw/zinc/52/02/63/652520263.db2.gz IAMYGJKSIADZAT-CXAGYDPISA-N 1 0 389.901 2.183 20 0 GEADRO C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NCCc1ccc(Br)cc1 ZINC000664153899 652521558 /nfs/dbraw/zinc/52/15/58/652521558.db2.gz XRKNVOJREITCJT-KGLIPLIRSA-N 1 0 384.318 2.400 20 0 GEADRO CC[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)Cc1cccc(Br)c1 ZINC000664171802 652521788 /nfs/dbraw/zinc/52/17/88/652521788.db2.gz BCLFDIQTCQRLNO-COXVUDFISA-N 1 0 398.345 2.334 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000584474643 652522386 /nfs/dbraw/zinc/52/23/86/652522386.db2.gz BPBWCLDCFQWYSH-ZWKOTPCHSA-N 1 0 384.362 2.488 20 0 GEADRO COC[C@]1(CNC(=O)Nc2ccc3nccnc3c2Br)CCC[NH2+]1 ZINC000584578598 652523873 /nfs/dbraw/zinc/52/38/73/652523873.db2.gz PPTHCXSPFKYWNH-MRXNPFEDSA-N 1 0 394.273 2.282 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000584588985 652524251 /nfs/dbraw/zinc/52/42/51/652524251.db2.gz QGSPKAAPLVIXFT-GZMMTYOYSA-N 1 0 389.091 2.431 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000584692300 652525778 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O=C(c1cccnc1I)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000758109942 652530847 /nfs/dbraw/zinc/53/08/47/652530847.db2.gz USBNDMUTNKDECY-LBPRGKRZSA-N 1 0 385.249 2.387 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1Cl ZINC000584840101 652531608 /nfs/dbraw/zinc/53/16/08/652531608.db2.gz YSPZHPMIBPTFFK-UHFFFAOYSA-N 1 0 395.308 2.217 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(I)o1 ZINC000758202773 652533596 /nfs/dbraw/zinc/53/35/96/652533596.db2.gz QGVJMFSHDMNAHB-HIGLLMRHSA-N 1 0 386.233 2.496 20 0 GEADRO FC(F)(F)COCCC[NH+]1CCN(C(=S)NC[C@H]2CCCCO2)CC1 ZINC000758216090 652533977 /nfs/dbraw/zinc/53/39/77/652533977.db2.gz GYKPOOKNNSELQN-CQSZACIVSA-N 1 0 383.480 2.017 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000631787144 652534090 /nfs/dbraw/zinc/53/40/90/652534090.db2.gz BAAHLOQHQYRJHC-NSHDSACASA-N 1 0 382.452 2.228 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000631787143 652534101 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[NH3+]C[C@H](NS(=O)(=O)Cc1ncsc1Br)C1CCCCC1 ZINC000631905700 652539716 /nfs/dbraw/zinc/53/97/16/652539716.db2.gz TYISYNNCNYTXBM-JTQLQIEISA-N 1 0 382.349 2.233 20 0 GEADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000631915967 652541032 /nfs/dbraw/zinc/54/10/32/652541032.db2.gz RCOLKJQRACVUQM-JKSUJKDBSA-N 1 0 386.926 2.399 20 0 GEADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccc(Sc2ccccc2)cc1 ZINC000631928373 652541110 /nfs/dbraw/zinc/54/11/10/652541110.db2.gz ZAQLEGVKQYZAFU-INIZCTEOSA-N 1 0 378.519 2.246 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cnc3c(Br)csc3c2)CC[NH2+]1 ZINC000631932373 652541547 /nfs/dbraw/zinc/54/15/47/652541547.db2.gz NXTCXMTYUSJZRI-IUCAKERBSA-N 1 0 390.328 2.478 20 0 GEADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1cnc2c(Br)csc2c1 ZINC000631934762 652542099 /nfs/dbraw/zinc/54/20/99/652542099.db2.gz JVGUUIJXRUJZGR-UHFFFAOYSA-N 1 0 388.312 2.257 20 0 GEADRO O=S(=O)(C[C@@H]1CCC1(F)F)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000631940783 652542685 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2.308 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCSCc2ccnc(Cl)c2)CC1 ZINC000758659573 652550753 /nfs/dbraw/zinc/55/07/53/652550753.db2.gz PESSCBVUPZYJMH-UHFFFAOYSA-N 1 0 386.949 2.066 20 0 GEADRO CC[N@H+](CCNC(=O)NCCNC(=O)c1cccc(Br)c1)C(C)C ZINC000588293632 652551482 /nfs/dbraw/zinc/55/14/82/652551482.db2.gz OPPJXAGHUSQPJA-UHFFFAOYSA-N 1 0 399.333 2.208 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CSc2nnc(-c3cccs3)n2C)C1 ZINC000588642617 652553925 /nfs/dbraw/zinc/55/39/25/652553925.db2.gz LSDYUIBNVDLTDC-CYBMUJFWSA-N 1 0 379.555 2.482 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000665529502 652554222 /nfs/dbraw/zinc/55/42/22/652554222.db2.gz MDILKQUIBBCBQX-UHFFFAOYSA-N 1 0 385.331 2.311 20 0 GEADRO CCn1cc(Br)cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000588705343 652555540 /nfs/dbraw/zinc/55/55/40/652555540.db2.gz YTZNZGWWXAEOQT-UHFFFAOYSA-N 1 0 383.334 2.124 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=S)NC3CC[NH+](C)CC3)nc12 ZINC000758922729 652557725 /nfs/dbraw/zinc/55/77/25/652557725.db2.gz 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CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667505777 652609287 /nfs/dbraw/zinc/60/92/87/652609287.db2.gz AYKLNFHHGITAFE-CYBMUJFWSA-N 1 0 398.301 2.433 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 ZINC000667515168 652609746 /nfs/dbraw/zinc/60/97/46/652609746.db2.gz AHIISNATIJMJAO-UHFFFAOYSA-N 1 0 375.803 2.262 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[NH2+]1 ZINC000667517540 652610044 /nfs/dbraw/zinc/61/00/44/652610044.db2.gz RLTWQBRRZODLTB-CYBMUJFWSA-N 1 0 388.693 2.497 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000667517454 652610061 /nfs/dbraw/zinc/61/00/61/652610061.db2.gz KGMLCBXCSFQKBK-CYBMUJFWSA-N 1 0 388.693 2.497 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Br)cc2cccnc21 ZINC000592984994 652610597 /nfs/dbraw/zinc/61/05/97/652610597.db2.gz ZAHMOZSDZCMFJS-HNNXBMFYSA-N 1 0 378.270 2.334 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[NH2+]1 ZINC000667521481 652610600 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COC(=O)[C@H](NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccccc1Br ZINC000595256685 652711315 /nfs/dbraw/zinc/71/13/15/652711315.db2.gz QOHXTGXEKUAEIU-MRRJBJDNSA-N 1 0 381.270 2.169 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2ccc(I)cc2Cl)CC[C@H]1F ZINC000595260726 652711705 /nfs/dbraw/zinc/71/17/05/652711705.db2.gz KGRNWQARRLTYJG-GHMZBOCLSA-N 1 0 382.604 2.456 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000635300235 652712166 /nfs/dbraw/zinc/71/21/66/652712166.db2.gz PQNKVPOVCLRDJR-UHFFFAOYSA-N 1 0 378.420 2.433 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000669702151 652714317 /nfs/dbraw/zinc/71/43/17/652714317.db2.gz VUPZBHAABUADAN-NSHDSACASA-N 1 0 391.256 2.497 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)cc3[nH]cnc32)cn1 ZINC000669698694 652714370 /nfs/dbraw/zinc/71/43/70/652714370.db2.gz GFEPAXXIUYWNEC-UHFFFAOYSA-N 1 0 377.246 2.336 20 0 GEADRO COC(=O)CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2C)C1=O ZINC000595464486 652729256 /nfs/dbraw/zinc/72/92/56/652729256.db2.gz 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Cc1nc(CNC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cs1 ZINC000670752602 652761949 /nfs/dbraw/zinc/76/19/49/652761949.db2.gz XRBYCIOZJKGIGV-OAHLLOKOSA-N 1 0 380.901 2.140 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cc(F)c(Cl)c(N)c3Cl)C2)CC1 ZINC000635960043 652768918 /nfs/dbraw/zinc/76/89/18/652768918.db2.gz MQUOGWLOCABTSY-UHFFFAOYSA-N 1 0 375.275 2.034 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(I)cc1F ZINC000597020094 652769736 /nfs/dbraw/zinc/76/97/36/652769736.db2.gz FDTFVQUTYNMGAT-UHFFFAOYSA-N 1 0 377.201 2.456 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)c(F)c1 ZINC000636024690 652775025 /nfs/dbraw/zinc/77/50/25/652775025.db2.gz YRRCFFCJSPPVIJ-GHMZBOCLSA-N 1 0 382.379 2.049 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636090844 652780832 /nfs/dbraw/zinc/78/08/32/652780832.db2.gz COONQGKRZFDXBI-IYBDPMFKSA-N 1 0 394.313 2.312 20 0 GEADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cccnc1-n1cc(Br)cn1 ZINC000636100824 652780851 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CC(C)NC(=O)CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636490537 652805386 /nfs/dbraw/zinc/80/53/86/652805386.db2.gz LKYBKJBRDJCDRY-AWEZNQCLSA-N 1 0 375.300 2.420 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636502687 652806121 /nfs/dbraw/zinc/80/61/21/652806121.db2.gz REPMMWYUDMKQOK-MRXNPFEDSA-N 1 0 394.313 2.198 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000671698790 652809750 /nfs/dbraw/zinc/80/97/50/652809750.db2.gz LOOZXFRQGGIHCU-YXQSOJMXSA-N 1 0 385.555 2.191 20 0 GEADRO CCCN(CCN1CCCC1)S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000671697000 652809805 /nfs/dbraw/zinc/80/98/05/652809805.db2.gz PBYJJEPSYLYOOO-CQSZACIVSA-N 1 0 387.571 2.442 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000671722839 652810912 /nfs/dbraw/zinc/81/09/12/652810912.db2.gz CRYXUGKGOGTFRB-UHFFFAOYSA-N 1 0 377.432 2.297 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000636618729 652811840 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GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000671843511 652817538 /nfs/dbraw/zinc/81/75/38/652817538.db2.gz PHNDQGWJCGNCDW-ZDUSSCGKSA-N 1 0 388.295 2.089 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(Cn3ncc(Br)c3C3CC3)CC2)C1 ZINC000765013015 652818336 /nfs/dbraw/zinc/81/83/36/652818336.db2.gz NJRBYSOYXMAZKV-HNNXBMFYSA-N 1 0 382.350 2.192 20 0 GEADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000671932365 652821328 /nfs/dbraw/zinc/82/13/28/652821328.db2.gz DVGCQDJMEOELKJ-ZFWWWQNUSA-N 1 0 379.913 2.300 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(Cc3cc(OC)ncc3Br)C2)CC1 ZINC000598589170 652823276 /nfs/dbraw/zinc/82/32/76/652823276.db2.gz RKNPJBFNXOCTHQ-OAHLLOKOSA-N 1 0 383.334 2.065 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598681650 652827567 /nfs/dbraw/zinc/82/75/67/652827567.db2.gz IQYMOGUOOKBOSX-LRDDRELGSA-N 1 0 399.276 2.351 20 0 GEADRO [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)Nc1ccccc1I)C2 ZINC000598683970 652828137 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GEADRO COC(=O)Cn1cc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000598997800 652844150 /nfs/dbraw/zinc/84/41/50/652844150.db2.gz JAESKKAWUKDOOJ-HNNXBMFYSA-N 1 0 386.283 2.150 20 0 GEADRO O[C@H]1CCN(CC[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000599017729 652844985 /nfs/dbraw/zinc/84/49/85/652844985.db2.gz AWXHXLHGJOGSHL-LBPRGKRZSA-N 1 0 380.657 2.101 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1 ZINC000637216600 652846418 /nfs/dbraw/zinc/84/64/18/652846418.db2.gz MXLOJZCMKJGLMK-DOMZBBRYSA-N 1 0 387.311 2.422 20 0 GEADRO COC(=O)CC1CCC([NH2+]Cc2nn(C)cc2I)CC1 ZINC000599051395 652846592 /nfs/dbraw/zinc/84/65/92/652846592.db2.gz RYOUVEJAFNPGFV-UHFFFAOYSA-N 1 0 391.253 2.236 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000672850022 652846636 /nfs/dbraw/zinc/84/66/36/652846636.db2.gz CAIHTGLDPHNRLX-HNNXBMFYSA-N 1 0 395.301 2.479 20 0 GEADRO CSC1(CNC(=O)NCc2c(C(F)(F)F)cnn2C)CC[NH+](C)CC1 ZINC000599067292 652847063 /nfs/dbraw/zinc/84/70/63/652847063.db2.gz YVLGSMHGYMNOMQ-UHFFFAOYSA-N 1 0 379.452 2.066 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000599088113 652848677 /nfs/dbraw/zinc/84/86/77/652848677.db2.gz JUVCEXXPKLISPQ-ZDUSSCGKSA-N 1 0 387.249 2.235 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000672896698 652849738 /nfs/dbraw/zinc/84/97/38/652849738.db2.gz QZNCJBSTFVOETK-QMMMGPOBSA-N 1 0 392.656 2.391 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NCC[NH2+]C1CC1 ZINC000637318152 652851005 /nfs/dbraw/zinc/85/10/05/652851005.db2.gz UAXAVESRXBEPFP-UHFFFAOYSA-N 1 0 387.311 2.393 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC/C=C\c2ccc(Br)cc2)C1 ZINC000637334730 652851601 /nfs/dbraw/zinc/85/16/01/652851601.db2.gz QQJVCQWXRKUOJD-MMTGSJLXSA-N 1 0 382.302 2.218 20 0 GEADRO O=C(NCC/C=C\c1ccc(Br)cc1)NCC[N@H+]1CC[C@H](O)C1 ZINC000637335127 652852073 /nfs/dbraw/zinc/85/20/73/652852073.db2.gz TYLJWAPVTPBKNP-SWQCVOCJSA-N 1 0 382.302 2.218 20 0 GEADRO C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1cc(F)c(Br)cc1F ZINC000637370098 652853862 /nfs/dbraw/zinc/85/38/62/652853862.db2.gz LUZYOKDCNNCXOI-RFAUZJTJSA-N 1 0 394.260 2.400 20 0 GEADRO CCN(C(=O)NCc1cc(Br)cnc1OC)[C@@H]1CC[N@H+](CC)C1 ZINC000637405710 652856396 /nfs/dbraw/zinc/85/63/96/652856396.db2.gz QJYOAIRKSAHUHD-CQSZACIVSA-N 1 0 385.306 2.478 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H]1C ZINC000765931022 652858076 /nfs/dbraw/zinc/85/80/76/652858076.db2.gz DYDCQRBXEQWGKV-CHWSQXEVSA-N 1 0 387.933 2.145 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)CCc2c(F)cccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000599279507 652858733 /nfs/dbraw/zinc/85/87/33/652858733.db2.gz QSMRFNGYYKMICT-IRXDYDNUSA-N 1 0 390.521 2.349 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NC[C@@H](O)[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000637473123 652862355 /nfs/dbraw/zinc/86/23/55/652862355.db2.gz IIZXSRNNHBEYJW-XHSDSOJGSA-N 1 0 390.311 2.435 20 0 GEADRO C[C@H](O)[C@@H]1CN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000637474812 652862812 /nfs/dbraw/zinc/86/28/12/652862812.db2.gz RMDIKFMAIZRUCU-XZJROXQQSA-N 1 0 390.311 2.387 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000673420369 652863329 /nfs/dbraw/zinc/86/33/29/652863329.db2.gz OJEDBQCHZZMNCK-OCCSQVGLSA-N 1 0 397.317 2.010 20 0 GEADRO CN(CC1CC[NH+](C)CC1)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766070104 652865100 /nfs/dbraw/zinc/86/51/00/652865100.db2.gz QFJOGFNMUPHIIQ-UHFFFAOYSA-N 1 0 380.286 2.276 20 0 GEADRO CSCC[C@@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766083034 652865975 /nfs/dbraw/zinc/86/59/75/652865975.db2.gz JWYYZCGXWJJQQJ-OLZOCXBDSA-N 1 0 394.584 2.204 20 0 GEADRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000673520754 652867198 /nfs/dbraw/zinc/86/71/98/652867198.db2.gz JZALAWCIHQPESB-ZDUSSCGKSA-N 1 0 397.269 2.273 20 0 GEADRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c2cc(Br)ccc2n1 ZINC000673532847 652867928 /nfs/dbraw/zinc/86/79/28/652867928.db2.gz XTZLIWIFUJDJGA-AWEZNQCLSA-N 1 0 392.297 2.492 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000766145282 652869057 /nfs/dbraw/zinc/86/90/57/652869057.db2.gz VZMGOHZCENXLMH-GFCCVEGCSA-N 1 0 380.293 2.346 20 0 GEADRO C[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000637675670 652870222 /nfs/dbraw/zinc/87/02/22/652870222.db2.gz VKPIXRRJRYVOTR-YZMDESFKSA-N 1 0 386.283 2.247 20 0 GEADRO O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000637679768 652870824 /nfs/dbraw/zinc/87/08/24/652870824.db2.gz KIGGSCLJCIDUNE-NWDGAFQWSA-N 1 0 377.794 2.319 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637804291 652873706 /nfs/dbraw/zinc/87/37/06/652873706.db2.gz ACTBEHOQFJUYEW-MRXNPFEDSA-N 1 0 394.313 2.056 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)[N@@H+]1CCCC[C@H]1C ZINC000766308890 652875116 /nfs/dbraw/zinc/87/51/16/652875116.db2.gz HMFUPUDOXCVFDZ-NEPJUHHUSA-N 1 0 383.290 2.162 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000637846873 652875174 /nfs/dbraw/zinc/87/51/74/652875174.db2.gz ZARCDYGAGSKARF-KCXAZCMYSA-N 1 0 394.313 2.136 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637862277 652875547 /nfs/dbraw/zinc/87/55/47/652875547.db2.gz OWFJOYQYMJJOSO-OAHLLOKOSA-N 1 0 396.329 2.383 20 0 GEADRO COc1nsc(CN2CCN(CC[NH+]3CCCC3)CC2)c1Br ZINC000637871047 652876129 /nfs/dbraw/zinc/87/61/29/652876129.db2.gz YZQXFWSKLRVNRC-UHFFFAOYSA-N 1 0 389.363 2.128 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000637863973 652876287 /nfs/dbraw/zinc/87/62/87/652876287.db2.gz HDGLAZSSDBXPFX-UHFFFAOYSA-N 1 0 381.274 2.067 20 0 GEADRO CO[C@H](C[NH+]1CCN(c2ccc(Br)cn2)CC1)C1CCOCC1 ZINC000637901382 652877072 /nfs/dbraw/zinc/87/70/72/652877072.db2.gz NKNGECYWPGJIKK-MRXNPFEDSA-N 1 0 384.318 2.408 20 0 GEADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)C1 ZINC000637964294 652879215 /nfs/dbraw/zinc/87/92/15/652879215.db2.gz IPRDJQGTHKVFED-ZBEGNZNMSA-N 1 0 381.889 2.325 20 0 GEADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000637986857 652880222 /nfs/dbraw/zinc/88/02/22/652880222.db2.gz GUCAABDSNDENCT-ZDUSSCGKSA-N 1 0 394.317 2.476 20 0 GEADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599627376 652880686 /nfs/dbraw/zinc/88/06/86/652880686.db2.gz LSADXRWSSKATTA-QMTHXVAHSA-N 1 0 375.300 2.420 20 0 GEADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599627373 652880993 /nfs/dbraw/zinc/88/09/93/652880993.db2.gz LSADXRWSSKATTA-HZMBPMFUSA-N 1 0 375.300 2.420 20 0 GEADRO C[C@@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000638043754 652882603 /nfs/dbraw/zinc/88/26/03/652882603.db2.gz KFFHMOSMHQHABE-QLJPJBMISA-N 1 0 395.257 2.055 20 0 GEADRO CC(C)(C)OC(=O)CNC(=O)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599680491 652883386 /nfs/dbraw/zinc/88/33/86/652883386.db2.gz MMJICQAVRLIFJN-CQSZACIVSA-N 1 0 391.295 2.464 20 0 GEADRO [NH3+][C@H]1CC=C(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000638073151 652883742 /nfs/dbraw/zinc/88/37/42/652883742.db2.gz LUXKOVFNXACSRW-OCCSQVGLSA-N 1 0 393.285 2.069 20 0 GEADRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1ccc(S(N)(=O)=O)o1 ZINC000638240115 652884114 /nfs/dbraw/zinc/88/41/14/652884114.db2.gz QDHRHYHZQFRNOK-UHFFFAOYSA-N 1 0 381.523 2.396 20 0 GEADRO CC1(C)CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000638270855 652884672 /nfs/dbraw/zinc/88/46/72/652884672.db2.gz NJAIZDMBQOUOKI-HNNXBMFYSA-N 1 0 394.313 2.151 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)COc2ccc(Br)cn2)C[C@H]1c1ccccc1F ZINC000638349235 652887047 /nfs/dbraw/zinc/88/70/47/652887047.db2.gz ZHKVHGRAKDBRCP-DZGCQCFKSA-N 1 0 394.244 2.315 20 0 GEADRO CS[C@H]1CN(C(=O)Cn2cc(C)c(C(F)(F)F)n2)C[C@@H]1[NH+]1CCCC1 ZINC000599762861 652888518 /nfs/dbraw/zinc/88/85/18/652888518.db2.gz RLNPTTZGRAXHNW-STQMWFEESA-N 1 0 376.448 2.249 20 0 GEADRO [NH3+]CCCn1cc(C(=O)NCC/C=C\c2ccc(Br)cc2)nn1 ZINC000638462990 652890318 /nfs/dbraw/zinc/89/03/18/652890318.db2.gz QDZMSKLKOFKVGJ-RJRFIUFISA-N 1 0 378.274 2.223 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000638485366 652890754 /nfs/dbraw/zinc/89/07/54/652890754.db2.gz BYJKVNPZTJDHCS-NSHDSACASA-N 1 0 388.331 2.039 20 0 GEADRO CO[C@H](C[NH2+]CCCNC(=O)c1cccc(Br)c1)[C@H]1CCOC1 ZINC000638475565 652890867 /nfs/dbraw/zinc/89/08/67/652890867.db2.gz CGLGWPXVHAZGPT-GOEBONIOSA-N 1 0 385.302 2.210 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000638488257 652891356 /nfs/dbraw/zinc/89/13/56/652891356.db2.gz VPLGVBYARGLISR-OAHLLOKOSA-N 1 0 378.270 2.361 20 0 GEADRO CO[C@H](C[NH2+]CCCNC(=O)c1ccc(Br)cc1)[C@H]1CCOC1 ZINC000638488712 652891373 /nfs/dbraw/zinc/89/13/73/652891373.db2.gz JDSBQVGLTFXKPH-GOEBONIOSA-N 1 0 385.302 2.210 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638505528 652891939 /nfs/dbraw/zinc/89/19/39/652891939.db2.gz WMWARAJTWFHSEU-AWEZNQCLSA-N 1 0 395.301 2.362 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638504311 652891962 /nfs/dbraw/zinc/89/19/62/652891962.db2.gz COMMNLMDWVCHPM-ZDUSSCGKSA-N 1 0 376.507 2.400 20 0 GEADRO C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)n1cc(Br)cn1 ZINC000638528139 652892296 /nfs/dbraw/zinc/89/22/96/652892296.db2.gz HKJKTNLFRBAHCO-UHOFOFEASA-N 1 0 377.286 2.469 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)NCCc2ccc(I)cc2)C[NH2+]1 ZINC000599923030 652892406 /nfs/dbraw/zinc/89/24/06/652892406.db2.gz SGPRIZYFKMLOTQ-RISCZKNCSA-N 1 0 387.265 2.273 20 0 GEADRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000638533972 652893036 /nfs/dbraw/zinc/89/30/36/652893036.db2.gz UWDZIDXQEIQDKU-UKRRQHHQSA-N 1 0 383.286 2.500 20 0 GEADRO [NH3+]C1(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CCOCC1 ZINC000638538661 652893202 /nfs/dbraw/zinc/89/32/02/652893202.db2.gz UGEIOIUOLWIQKA-UHFFFAOYSA-N 1 0 397.248 2.012 20 0 GEADRO O=C(CSCc1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938268 652893435 /nfs/dbraw/zinc/89/34/35/652893435.db2.gz MZAPITSTGPSRKA-JKSUJKDBSA-N 1 0 399.354 2.350 20 0 GEADRO Cc1ncsc1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638544040 652894021 /nfs/dbraw/zinc/89/40/21/652894021.db2.gz SMEYYHYZZFTTBD-UHFFFAOYSA-N 1 0 376.301 2.151 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638595917 652897066 /nfs/dbraw/zinc/89/70/66/652897066.db2.gz LHISMWPLONDXIF-IIDMSEBBSA-N 1 0 392.297 2.060 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1F)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638599585 652898162 /nfs/dbraw/zinc/89/81/62/652898162.db2.gz LEAFRKBQXQAKLE-SECBINFHSA-N 1 0 385.212 2.457 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674434985 652898259 /nfs/dbraw/zinc/89/82/59/652898259.db2.gz OFXCEMKOJVFYNA-GHMZBOCLSA-N 1 0 379.345 2.337 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)c1cccnc1Oc1cccc(Br)c1 ZINC000638616847 652898513 /nfs/dbraw/zinc/89/85/13/652898513.db2.gz BWIJPBYKYNTSID-ZDUSSCGKSA-N 1 0 392.253 2.355 20 0 GEADRO O=C(CCc1nc2cc(Br)ccc2s1)NC[C@H]1COCC[NH2+]1 ZINC000638616934 652899131 /nfs/dbraw/zinc/89/91/31/652899131.db2.gz UTSWOMGPFQHUEG-NSHDSACASA-N 1 0 384.299 2.096 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000638622274 652899162 /nfs/dbraw/zinc/89/91/62/652899162.db2.gz WLPBSTONWNAORC-CYBMUJFWSA-N 1 0 395.253 2.339 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000674471743 652900251 /nfs/dbraw/zinc/90/02/51/652900251.db2.gz FEZMLGCXKLJMOO-CYBMUJFWSA-N 1 0 398.301 2.385 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000600043555 652900327 /nfs/dbraw/zinc/90/03/27/652900327.db2.gz HMVSNRQTOHHVAM-CZUORRHYSA-N 1 0 396.329 2.271 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCNc2ncc(Cl)cc2Cl)s1 ZINC000638646900 652900314 /nfs/dbraw/zinc/90/03/14/652900314.db2.gz MALGSYCRHXGUIE-UHFFFAOYSA-N 1 0 381.310 2.299 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638637635 652900555 /nfs/dbraw/zinc/90/05/55/652900555.db2.gz UMLOWTCYMJDCDS-FZMZJTMJSA-N 1 0 380.290 2.228 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653026 652900936 /nfs/dbraw/zinc/90/09/36/652900936.db2.gz VJOKSCYLYNLBHM-MWLCHTKSSA-N 1 0 389.315 2.031 20 0 GEADRO [NH3+]CCCOCCNC(=O)c1cc(Br)sc1Br ZINC000638659575 652901533 /nfs/dbraw/zinc/90/15/33/652901533.db2.gz FTVAIBLIMOTYBP-UHFFFAOYSA-N 1 0 386.109 2.368 20 0 GEADRO [NH3+]CCCOCCNC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000638661750 652901567 /nfs/dbraw/zinc/90/15/67/652901567.db2.gz YOGDWECCGMGPGG-UHFFFAOYSA-N 1 0 386.315 2.473 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000638699188 652903218 /nfs/dbraw/zinc/90/32/18/652903218.db2.gz MALXGKZNAULRAB-OCCSQVGLSA-N 1 0 392.301 2.408 20 0 GEADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)o1)Oc1cccc(Br)c1 ZINC000638709925 652904300 /nfs/dbraw/zinc/90/43/00/652904300.db2.gz SLCQDMRBXRGIDM-JTQLQIEISA-N 1 0 389.271 2.247 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638821478 652907569 /nfs/dbraw/zinc/90/75/69/652907569.db2.gz WBJSHRJADBCAEH-GHMZBOCLSA-N 1 0 388.331 2.359 20 0 GEADRO C[C@H](NC(=O)CCn1cc(Br)cn1)C1([NH+]2CCOCC2)CCCC1 ZINC000674716139 652909630 /nfs/dbraw/zinc/90/96/30/652909630.db2.gz WWACSALZPKTFOZ-AWEZNQCLSA-N 1 0 399.333 2.185 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)c1ccc(Br)cc1 ZINC000638887345 652910241 /nfs/dbraw/zinc/91/02/41/652910241.db2.gz NZEDRTATWORKLT-DJSGYFEHSA-N 1 0 382.302 2.070 20 0 GEADRO [NH3+]CCc1nc(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cs1 ZINC000638942850 652914254 /nfs/dbraw/zinc/91/42/54/652914254.db2.gz MPEMSEZEKUESKL-NILFDRSVSA-N 1 0 378.295 2.475 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000638948798 652914588 /nfs/dbraw/zinc/91/45/88/652914588.db2.gz YVHBKCMYFRPQHU-MGPQQGTHSA-N 1 0 394.313 2.436 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N[C@H]3CC[C@H]([NH3+])CC3)CC2=O)ccc1Br ZINC000639026512 652916240 /nfs/dbraw/zinc/91/62/40/652916240.db2.gz JRFACUNHEKMILF-IHRRRGAJSA-N 1 0 394.313 2.497 20 0 GEADRO CN1CC[C@](O)(C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC000639049075 652917532 /nfs/dbraw/zinc/91/75/32/652917532.db2.gz HKPROKZDYHYGBH-SQNIBIBYSA-N 1 0 382.346 2.241 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC000639139521 652921747 /nfs/dbraw/zinc/92/17/47/652921747.db2.gz LIFMIDWJDLEZHF-GOSISDBHSA-N 1 0 380.897 2.479 20 0 GEADRO COc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)sn1 ZINC000639142076 652922520 /nfs/dbraw/zinc/92/25/20/652922520.db2.gz JNWOCRIOFWBODI-UHFFFAOYSA-N 1 0 379.866 2.012 20 0 GEADRO O[C@@H]1[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)CCC12CCOCC2 ZINC000639142521 652922704 /nfs/dbraw/zinc/92/27/04/652922704.db2.gz DMROTCITGMEQFK-IUODEOHRSA-N 1 0 395.301 2.149 20 0 GEADRO C[NH+](C)CCN(Cc1cnn2cc(Br)cnc12)Cc1ccccn1 ZINC000639172138 652925664 /nfs/dbraw/zinc/92/56/64/652925664.db2.gz KZUVIHILQPLGRE-UHFFFAOYSA-N 1 0 389.301 2.451 20 0 GEADRO CCCN(CCC[NH+](C)C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639174831 652925740 /nfs/dbraw/zinc/92/57/40/652925740.db2.gz HHEXFRQCGMTPTA-UHFFFAOYSA-N 1 0 392.363 2.260 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]C[C@]2(OC)CCOC2)cc1Br ZINC000639246575 652928003 /nfs/dbraw/zinc/92/80/03/652928003.db2.gz RZKAALVHGSHXQL-WMLDXEAASA-N 1 0 388.302 2.004 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)Cn2cc(Br)cn2)c2ccccc2O1 ZINC000675490979 652929407 /nfs/dbraw/zinc/92/94/07/652929407.db2.gz HMSNMDPCNHTMGY-CYBMUJFWSA-N 1 0 379.258 2.001 20 0 GEADRO COc1cc(CN(CC[NH+](C)C)CC(=O)N(C)C)c(F)cc1Br ZINC000639316880 652931662 /nfs/dbraw/zinc/93/16/62/652931662.db2.gz NAWOHTMVBOKOBX-UHFFFAOYSA-N 1 0 390.297 2.049 20 0 GEADRO Nc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000639348333 652932949 /nfs/dbraw/zinc/93/29/49/652932949.db2.gz VXOYABFSXBTQBF-LBPRGKRZSA-N 1 0 378.267 2.382 20 0 GEADRO Nc1ncc(C[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)c(N)n1 ZINC000639346140 652933266 /nfs/dbraw/zinc/93/32/66/652933266.db2.gz BYFOMJRQZGEWDN-CYBMUJFWSA-N 1 0 380.315 2.431 20 0 GEADRO CN1CC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C[C@H]1c1ccc(Br)cc1 ZINC000639357990 652933833 /nfs/dbraw/zinc/93/38/33/652933833.db2.gz SWSYYCGOGDKPRV-SQNIBIBYSA-N 1 0 382.346 2.241 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)cc1 ZINC000639354471 652933881 /nfs/dbraw/zinc/93/38/81/652933881.db2.gz HLQNPMIRFOGRES-CQSZACIVSA-N 1 0 383.876 2.495 20 0 GEADRO Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(Br)c1 ZINC000675608820 652934242 /nfs/dbraw/zinc/93/42/42/652934242.db2.gz XKCNPANRSIVQQZ-UHFFFAOYSA-N 1 0 394.273 2.093 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(S(N)(=O)=O)s1 ZINC000639360604 652934403 /nfs/dbraw/zinc/93/44/03/652934403.db2.gz YUZFUUOUEWDEKH-GDBMZVCRSA-N 1 0 379.551 2.253 20 0 GEADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c(Cl)c1 ZINC000675745341 652939390 /nfs/dbraw/zinc/93/93/90/652939390.db2.gz KRODNXHCXFMBFC-ZDUSSCGKSA-N 1 0 375.922 2.237 20 0 GEADRO Brc1ccc(CN2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)cc1 ZINC000639519457 652939835 /nfs/dbraw/zinc/93/98/35/652939835.db2.gz QRMZGOWWGNHSGN-INIZCTEOSA-N 1 0 376.302 2.346 20 0 GEADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000639513463 652939895 /nfs/dbraw/zinc/93/98/95/652939895.db2.gz HRAKOWPDVFAHHA-RHSMWYFYSA-N 1 0 389.323 2.387 20 0 GEADRO COc1cc(S(=O)(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cnc1Cl ZINC000767667337 652940792 /nfs/dbraw/zinc/94/07/92/652940792.db2.gz XXUWUDYNVYGCFP-CQSZACIVSA-N 1 0 383.901 2.195 20 0 GEADRO C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000639659810 652947216 /nfs/dbraw/zinc/94/72/16/652947216.db2.gz PKGPTOHFGABQSX-XIRDDKMYSA-N 1 0 375.296 2.138 20 0 GEADRO CN1C(=O)NCC12CC[NH+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)CC2 ZINC000639677545 652948476 /nfs/dbraw/zinc/94/84/76/652948476.db2.gz CCUHUMMZXOLXIQ-CQSZACIVSA-N 1 0 388.295 2.223 20 0 GEADRO C[NH+]1CCC2(CCN(Cc3nnnn3-c3ccccc3Br)C2)CC1 ZINC000639757664 652952003 /nfs/dbraw/zinc/95/20/03/652952003.db2.gz LGRKBUBLPQQDAY-UHFFFAOYSA-N 1 0 391.317 2.343 20 0 GEADRO COc1ccc(CN2CCC[C@@](O)(C[NH+](C)C)C2)c(Br)c1OC ZINC000639765304 652952665 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CS[C@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000601396760 653091257 /nfs/dbraw/zinc/09/12/57/653091257.db2.gz HNQHKEWHDUNFBY-RYUDHWBXSA-N 1 0 391.946 2.406 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cnn(C3CCCC3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000601397645 653091295 /nfs/dbraw/zinc/09/12/95/653091295.db2.gz QSGBTEHSNHBXCV-DLBZAZTESA-N 1 0 384.571 2.199 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(OC)c(Br)cn1 ZINC000639968283 653091663 /nfs/dbraw/zinc/09/16/63/653091663.db2.gz SROJHBALETZULF-LLVKDONJSA-N 1 0 389.294 2.331 20 0 GEADRO COc1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)ncc1Br ZINC000639968663 653091750 /nfs/dbraw/zinc/09/17/50/653091750.db2.gz WDGWCJXALGECDF-AWEZNQCLSA-N 1 0 389.319 2.412 20 0 GEADRO Cc1nnc(N2CCN(CCOc3ccc(Br)cc3)CC2)n1C ZINC000639973336 653091923 /nfs/dbraw/zinc/09/19/23/653091923.db2.gz GWGRVBWBBPMKOM-UHFFFAOYSA-N 1 0 380.290 2.087 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CS(=O)(=O)Cc2ccc(Cl)s2)C1 ZINC000676229866 653092265 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O=C(NCC1C[NH2+]C1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000640246561 653106711 /nfs/dbraw/zinc/10/67/11/653106711.db2.gz RYWRNZFLQLNPNQ-UHFFFAOYSA-N 1 0 382.302 2.359 20 0 GEADRO CN1C(=O)C[C@H](NC(=S)NC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000768287377 653108140 /nfs/dbraw/zinc/10/81/40/653108140.db2.gz WKYFHMQCLIMEOO-DOTOQJQBSA-N 1 0 380.945 2.170 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3nn(CC(F)(F)F)cc3Cl)C2)C1 ZINC000640298925 653111759 /nfs/dbraw/zinc/11/17/59/653111759.db2.gz QQPDDXPFCFXXCQ-CQSZACIVSA-N 1 0 379.814 3.048 20 0 GEADRO Cn1cc(Br)c(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000640309339 653114244 /nfs/dbraw/zinc/11/42/44/653114244.db2.gz YJHXWPRBYDTEHW-LBPRGKRZSA-N 1 0 382.262 2.734 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2CN2c3cc(Br)ccc3C(=O)C2=O)C1 ZINC000768502275 653114628 /nfs/dbraw/zinc/11/46/28/653114628.db2.gz MMJVIAQMIRZXIT-WFASDCNBSA-N 1 0 392.297 2.352 20 0 GEADRO C[C@@H](NC(=O)Nc1nn(C)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000640311806 653115914 /nfs/dbraw/zinc/11/59/14/653115914.db2.gz ICKLUIHULRENSJ-VXGBXAGGSA-N 1 0 384.322 2.957 20 0 GEADRO Cn1cc(Br)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000640312313 653116228 /nfs/dbraw/zinc/11/62/28/653116228.db2.gz ZLUFVQVCWXUASI-SMDDNHRTSA-N 1 0 382.306 2.663 20 0 GEADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1nn(C)cc1Br)c1ccco1 ZINC000640314995 653118293 /nfs/dbraw/zinc/11/82/93/653118293.db2.gz LGJUPMCUBYYKHG-CMPLNLGQSA-N 1 0 384.278 3.027 20 0 GEADRO Cn1cc(Br)c(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000640314558 653118376 /nfs/dbraw/zinc/11/83/76/653118376.db2.gz HPGSNGAZSRKICE-CQSZACIVSA-N 1 0 392.301 2.826 20 0 GEADRO O=C(Cc1c[nH]c2cc(Br)ccc12)N[C@H](CO)C[NH+]1CCCC1 ZINC000640325215 653120342 /nfs/dbraw/zinc/12/03/42/653120342.db2.gz ZNNYDGXZTNXFQH-AWEZNQCLSA-N 1 0 380.286 2.046 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000640337465 653121579 /nfs/dbraw/zinc/12/15/79/653121579.db2.gz OXYQHXKIAFOFDR-UHFFFAOYSA-N 1 0 395.301 2.234 20 0 GEADRO Cc1cc2c(cc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1)sc(=O)n2C ZINC000640354035 653121982 /nfs/dbraw/zinc/12/19/82/653121982.db2.gz WDKIIHXAHLEFIC-KRWDZBQOSA-N 1 0 380.539 2.467 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)CCn1cc(Br)cn1 ZINC000677785168 653121820 /nfs/dbraw/zinc/12/18/20/653121820.db2.gz KQPUNLOKLXUTLC-UHFFFAOYSA-N 1 0 395.301 2.332 20 0 GEADRO O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000640384327 653123809 /nfs/dbraw/zinc/12/38/09/653123809.db2.gz OASYAYYLCWUDMU-QMMMGPOBSA-N 1 0 383.346 2.670 20 0 GEADRO O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000640384326 653123880 /nfs/dbraw/zinc/12/38/80/653123880.db2.gz OASYAYYLCWUDMU-MRVPVSSYSA-N 1 0 383.346 2.670 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640384882 653124225 /nfs/dbraw/zinc/12/42/25/653124225.db2.gz VQTUCEAETFXCKW-MRVPVSSYSA-N 1 0 387.378 3.046 20 0 GEADRO CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805762467 653129398 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COCC[NH2+]CCc1cn([C@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640881394 653143285 /nfs/dbraw/zinc/14/32/85/653143285.db2.gz PGDNZINTHFRNQV-GFCCVEGCSA-N 1 0 396.289 2.019 20 0 GEADRO COCC[C@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640880721 653143643 /nfs/dbraw/zinc/14/36/43/653143643.db2.gz LWVMMPQXMDYGOI-YPMHNXCESA-N 1 0 396.289 2.147 20 0 GEADRO C[NH+](C)CCc1cn(CC(=O)Nc2c(F)cc(F)cc2Br)nn1 ZINC000640895708 653144422 /nfs/dbraw/zinc/14/44/22/653144422.db2.gz PKRMXRCUGWLACL-UHFFFAOYSA-N 1 0 388.216 2.062 20 0 GEADRO O=C(Cn1cc(C[NH2+]C2CC2)nn1)Nc1c(F)cc(F)cc1Br ZINC000640895041 653144438 /nfs/dbraw/zinc/14/44/38/653144438.db2.gz GVIJKENBARNHBY-UHFFFAOYSA-N 1 0 386.200 2.210 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)NCCc2ccc(I)s2)C1 ZINC000602091123 653146641 /nfs/dbraw/zinc/14/66/41/653146641.db2.gz VYXLMJSSTVNCGU-JTQLQIEISA-N 1 0 378.279 2.353 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2nc(C3CC3)no2)nn1)c1ccc(Br)cc1 ZINC000640937581 653146827 /nfs/dbraw/zinc/14/68/27/653146827.db2.gz QREJKKJOICAUJW-CQSZACIVSA-N 1 0 375.230 2.397 20 0 GEADRO CC[C@@](C)([NH3+])c1cn(CC(=O)N(C)Cc2cc(Br)cs2)nn1 ZINC000640980402 653148033 /nfs/dbraw/zinc/14/80/33/653148033.db2.gz VANXXSYLOJTNHQ-CQSZACIVSA-N 1 0 386.319 2.345 20 0 GEADRO O=C(Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)NCCc1cccc(Cl)c1Cl ZINC000640982026 653148409 /nfs/dbraw/zinc/14/84/09/653148409.db2.gz FCCQKDHDTDDKIE-LBPRGKRZSA-N 1 0 382.295 2.096 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(C(F)(F)F)c[nH]c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000602133449 653149787 /nfs/dbraw/zinc/14/97/87/653149787.db2.gz BKAPBRAJKQHWFM-QWHCGFSZSA-N 1 0 375.416 2.458 20 0 GEADRO CS[C@H]1CN(C(=O)CC2CCN(CC(F)F)CC2)C[C@H]1[NH+]1CCCC1 ZINC000602136356 653149804 /nfs/dbraw/zinc/14/98/04/653149804.db2.gz RLEYTLAOAFBNIP-CVEARBPZSA-N 1 0 375.529 2.392 20 0 GEADRO CC[NH+](CC)CCN(C(=O)[C@@H]1COCCN1C)c1cccc(Br)c1 ZINC000679634044 653151184 /nfs/dbraw/zinc/15/11/84/653151184.db2.gz JKEGTTQZCNXVRV-KRWDZBQOSA-N 1 0 398.345 2.455 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]CC1)N(CCO)Cc1ccc(Br)s1 ZINC000641041809 653152143 /nfs/dbraw/zinc/15/21/43/653152143.db2.gz DRTDDWQMKJUGBH-NSHDSACASA-N 1 0 376.320 2.157 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000602155438 653152285 /nfs/dbraw/zinc/15/22/85/653152285.db2.gz MLXWSMCSBMBSCL-BPUTZDHNSA-N 1 0 397.313 2.274 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000769406136 653153444 /nfs/dbraw/zinc/15/34/44/653153444.db2.gz WAYZEJXIJKPMTR-UHFFFAOYSA-N 1 0 391.324 2.479 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1Br ZINC000641070248 653154247 /nfs/dbraw/zinc/15/42/47/653154247.db2.gz BHHSMLWRGGWKCY-CVEARBPZSA-N 1 0 398.345 2.350 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000769416926 653154552 /nfs/dbraw/zinc/15/45/52/653154552.db2.gz DFKTUWVKGNELQX-UHFFFAOYSA-N 1 0 392.978 2.104 20 0 GEADRO C[NH2+]C(C)(C)c1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641104636 653156615 /nfs/dbraw/zinc/15/66/15/653156615.db2.gz JOZXDUGVRBEFEI-ZDUSSCGKSA-N 1 0 378.274 2.473 20 0 GEADRO [NH3+][C@H](c1cn(Cc2cn(CC3CC3)nn2)nn1)c1ccc(Br)cc1 ZINC000641108984 653157696 /nfs/dbraw/zinc/15/76/96/653157696.db2.gz CUVIJVKGPFWKLX-INIZCTEOSA-N 1 0 388.273 2.139 20 0 GEADRO O=C(NCc1cn(CCSc2cccc(Cl)c2)nn1)C1CC[NH2+]CC1 ZINC000641112716 653158047 /nfs/dbraw/zinc/15/80/47/653158047.db2.gz PGZPATBRRYXJRB-UHFFFAOYSA-N 1 0 379.917 2.340 20 0 GEADRO C[NH2+]Cc1cn([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)nn1 ZINC000641117573 653158759 /nfs/dbraw/zinc/15/87/59/653158759.db2.gz NPCYFZQHXQDEEP-HNNXBMFYSA-N 1 0 378.274 2.437 20 0 GEADRO CCCn1c(C)nnc1Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641154381 653162969 /nfs/dbraw/zinc/16/29/69/653162969.db2.gz HMCDTPWJOIYCRB-INIZCTEOSA-N 1 0 390.289 2.447 20 0 GEADRO C[C@@H]1C[N@H+](C(C)(C)CNc2cc(Br)cnc2C(N)=O)C[C@H](C)O1 ZINC000680330680 653164904 /nfs/dbraw/zinc/16/49/04/653164904.db2.gz QHOBDTHUJLRIJW-PHIMTYICSA-N 1 0 385.306 2.243 20 0 GEADRO C[C@H](c1ncc(Br)cn1)n1cc(COc2ccc(C[NH3+])cc2)nn1 ZINC000641179046 653166664 /nfs/dbraw/zinc/16/66/64/653166664.db2.gz YTUIEBPFYLOJMU-LLVKDONJSA-N 1 0 389.257 2.478 20 0 GEADRO O[C@@H](COc1cccc(Br)c1)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641196086 653168604 /nfs/dbraw/zinc/16/86/04/653168604.db2.gz NSVSVELENXRJAQ-CZUORRHYSA-N 1 0 395.301 2.023 20 0 GEADRO [NH3+]C1CCN(CCc2cn(Cc3ncc(Br)cc3Cl)nn2)CC1 ZINC000641205961 653169725 /nfs/dbraw/zinc/16/97/25/653169725.db2.gz IVTUUEFCFRISRZ-UHFFFAOYSA-N 1 0 399.724 2.103 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)c1nn(C)cc1I ZINC000602314101 653170125 /nfs/dbraw/zinc/17/01/25/653170125.db2.gz URRCOOKZMOBWKZ-UHFFFAOYSA-N 1 0 392.285 2.219 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641229417 653171822 /nfs/dbraw/zinc/17/18/22/653171822.db2.gz RNADRRHMNPMMDA-RISCZKNCSA-N 1 0 399.264 2.087 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1OC ZINC000602338956 653171916 /nfs/dbraw/zinc/17/19/16/653171916.db2.gz YOPHPQFROKKCSI-HOTGVXAUSA-N 1 0 399.329 2.497 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)ncc1Br ZINC000772944498 653172634 /nfs/dbraw/zinc/17/26/34/653172634.db2.gz BPJUKSYSBPTLSI-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO COC[C@@H](CS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)OC ZINC000641256380 653173213 /nfs/dbraw/zinc/17/32/13/653173213.db2.gz ROFYGAXDMFHAGI-HOTGVXAUSA-N 1 0 390.571 2.102 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806800679 653175453 /nfs/dbraw/zinc/17/54/53/653175453.db2.gz LURGQSNKJUBHSM-UHFFFAOYSA-N 1 0 399.211 2.299 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000773014511 653176073 /nfs/dbraw/zinc/17/60/73/653176073.db2.gz IEEYQFJPUVDUNE-CQSZACIVSA-N 1 0 380.279 2.226 20 0 GEADRO O=S(=O)(CCn1ccnc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000641289038 653179333 /nfs/dbraw/zinc/17/93/33/653179333.db2.gz IKYQSTQOTRYPQZ-NXEZZACHSA-N 1 0 379.326 2.276 20 0 GEADRO C[S@@](=O)C1(C(=O)N[C@@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000602453050 653182245 /nfs/dbraw/zinc/18/22/45/653182245.db2.gz YSYSLVYMZXGFMS-JLCFBVMHSA-N 1 0 385.327 2.053 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)CC[NH2+]CC1 ZINC000602458605 653183207 /nfs/dbraw/zinc/18/32/07/653183207.db2.gz NCRJTCOFPLZGCS-JWQCQUIFSA-N 1 0 384.567 2.173 20 0 GEADRO CC1(C)CN(C(=O)NCCSCc2ccnc(Cl)c2)CC[N@@H+]1CCO ZINC000807106826 653184525 /nfs/dbraw/zinc/18/45/25/653184525.db2.gz VUJKKYNQCAKJTR-UHFFFAOYSA-N 1 0 386.949 2.066 20 0 GEADRO C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602502727 653186595 /nfs/dbraw/zinc/18/65/95/653186595.db2.gz NAQVEXLEOGCCFF-XELLLNAOSA-N 1 0 376.444 2.253 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000681593669 653186669 /nfs/dbraw/zinc/18/66/69/653186669.db2.gz QHYVQWLFXJXDJB-DOTOQJQBSA-N 1 0 393.329 2.367 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000602530288 653188066 /nfs/dbraw/zinc/18/80/66/653188066.db2.gz YONCXJHQWGXAJK-JMCQJSRRSA-N 1 0 379.201 2.185 20 0 GEADRO O[C@H](C[NH2+]CCC[C@H]1CCO1)COc1ccc(I)cc1 ZINC000602535078 653188858 /nfs/dbraw/zinc/18/88/58/653188858.db2.gz MQKCEOADENTXAA-KGLIPLIRSA-N 1 0 391.249 2.190 20 0 GEADRO [NH3+]C1(CNC(=O)c2ccc(I)c(Cl)c2)CCOCC1 ZINC000602539576 653189461 /nfs/dbraw/zinc/18/94/61/653189461.db2.gz RCDSHLMPIGLTRC-UHFFFAOYSA-N 1 0 394.640 2.182 20 0 GEADRO [NH3+]CC1(NC(=O)c2ccc(I)cc2Cl)CCOCC1 ZINC000602544911 653189988 /nfs/dbraw/zinc/18/99/88/653189988.db2.gz BYQHHDWQBRFRPW-UHFFFAOYSA-N 1 0 394.640 2.182 20 0 GEADRO C[NH2+]CCOCCNC(=O)c1cc(C)c(Cl)cc1I ZINC000602544382 653190036 /nfs/dbraw/zinc/19/00/36/653190036.db2.gz QTHXZQJMLNDCCS-UHFFFAOYSA-N 1 0 396.656 2.219 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000681789214 653191506 /nfs/dbraw/zinc/19/15/06/653191506.db2.gz MLIUCVQHOWXWDN-JGGQBBKZSA-N 1 0 394.313 2.401 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000681800077 653192001 /nfs/dbraw/zinc/19/20/01/653192001.db2.gz 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Cc1nc(Br)ccc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000774243241 653230869 /nfs/dbraw/zinc/23/08/69/653230869.db2.gz YBYMWAJTFKTSCP-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000683236951 653231878 /nfs/dbraw/zinc/23/18/78/653231878.db2.gz DSMLPZMAOHGBEY-AWEZNQCLSA-N 1 0 398.276 2.143 20 0 GEADRO Cc1ccnc(N[C@@H]2CCCN(CCN3CCOCC3)C2)c1Br ZINC000641718674 653232001 /nfs/dbraw/zinc/23/20/01/653232001.db2.gz VBKNUEKXNLFWOD-OAHLLOKOSA-N 1 0 383.334 2.361 20 0 GEADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cccc(Br)c3F)C2)CC1 ZINC000683243765 653232299 /nfs/dbraw/zinc/23/22/99/653232299.db2.gz IFYMPKGEQNUOPP-GFCCVEGCSA-N 1 0 384.293 2.487 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)nc2C)C[C@H]1C ZINC000774309281 653233774 /nfs/dbraw/zinc/23/37/74/653233774.db2.gz CEEFOAILPOJZLC-YPMHNXCESA-N 1 0 397.317 2.422 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000641822042 653234542 /nfs/dbraw/zinc/23/45/42/653234542.db2.gz LZTBMCZKHXZZSY-UHFFFAOYSA-N 1 0 386.290 2.418 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000774332384 653234706 /nfs/dbraw/zinc/23/47/06/653234706.db2.gz XWXRJNHUZFJQLV-ZDUSSCGKSA-N 1 0 397.317 2.185 20 0 GEADRO CCCCCCNC(=O)C[N@H+](C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000808776732 653235081 /nfs/dbraw/zinc/23/50/81/653235081.db2.gz YPLCOKOPWAEWQF-MRXNPFEDSA-N 1 0 375.579 2.065 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641860262 653235511 /nfs/dbraw/zinc/23/55/11/653235511.db2.gz ZZZVHSBZBMXXPJ-HSWBROFVSA-N 1 0 381.318 2.352 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000642047514 653237050 /nfs/dbraw/zinc/23/70/50/653237050.db2.gz VQCWYYIAINLSJL-AWEZNQCLSA-N 1 0 394.313 2.355 20 0 GEADRO COC1(CO)CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000683676144 653237554 /nfs/dbraw/zinc/23/75/54/653237554.db2.gz QKUHXILVUUIBDR-AWEZNQCLSA-N 1 0 399.329 2.269 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NC[C@@H](C)[NH+](C)C)CC2=O)ccc1Br ZINC000642152415 653238271 /nfs/dbraw/zinc/23/82/71/653238271.db2.gz LTLCABZTMTWWCD-CHWSQXEVSA-N 1 0 382.302 2.177 20 0 GEADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000774478207 653238763 /nfs/dbraw/zinc/23/87/63/653238763.db2.gz ZVGBCUQLZAAPNY-CORIIIEPSA-N 1 0 398.301 2.432 20 0 GEADRO Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3c(Br)cnn3C)c2cc1C ZINC000683770306 653240851 /nfs/dbraw/zinc/24/08/51/653240851.db2.gz SOAAKTLJERIHOA-ZDUSSCGKSA-N 1 0 392.301 2.300 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000683822824 653241590 /nfs/dbraw/zinc/24/15/90/653241590.db2.gz ULYRRXCTKJFDOI-LSDHHAIUSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642327439 653242279 /nfs/dbraw/zinc/24/22/79/653242279.db2.gz AEMWMJYABQLGTI-XJKSGUPXSA-N 1 0 396.329 2.145 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CCCC1 ZINC000642515662 653247636 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O=C(C[NH+]1CCCC1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000874090032 653261003 /nfs/dbraw/zinc/26/10/03/653261003.db2.gz JWTRZJPFYJZRCK-UHFFFAOYSA-N 1 0 395.301 2.117 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c(Br)n1 ZINC000874096084 653261974 /nfs/dbraw/zinc/26/19/74/653261974.db2.gz BUCQOOVLOZGXEF-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000874120928 653265374 /nfs/dbraw/zinc/26/53/74/653265374.db2.gz GMBYLEBNMHFTKK-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO O=C(OCCC[NH+]1CCCC1)c1ccc(Br)cc1-n1cnnn1 ZINC000856986331 653266011 /nfs/dbraw/zinc/26/60/11/653266011.db2.gz RRTPJGOLQWJTDB-UHFFFAOYSA-N 1 0 380.246 2.068 20 0 GEADRO CCCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)CO)cc1OCC ZINC000684539312 653274336 /nfs/dbraw/zinc/27/43/36/653274336.db2.gz XEEXVMKPAIFVHN-MRXNPFEDSA-N 1 0 376.291 2.470 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000774964561 653275024 /nfs/dbraw/zinc/27/50/24/653275024.db2.gz ONDIXWFGSMASCF-HUUCEWRRSA-N 1 0 386.323 2.496 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000774964560 653275242 /nfs/dbraw/zinc/27/52/42/653275242.db2.gz ONDIXWFGSMASCF-GJZGRUSLSA-N 1 0 386.323 2.496 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1Br ZINC000874171960 653279221 /nfs/dbraw/zinc/27/92/21/653279221.db2.gz WLPLYTNQVJMKCI-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000874175139 653280725 /nfs/dbraw/zinc/28/07/25/653280725.db2.gz NKIFGWOOMWTUOI-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000874174205 653280731 /nfs/dbraw/zinc/28/07/31/653280731.db2.gz KBAFEWQPGWRANJ-IAQYHMDHSA-N 1 0 398.276 2.388 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000775006787 653281511 /nfs/dbraw/zinc/28/15/11/653281511.db2.gz KERPLJBCXASWSY-UHFFFAOYSA-N 1 0 393.328 2.210 20 0 GEADRO 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CON(C)C(=O)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000812869660 653444988 /nfs/dbraw/zinc/44/49/88/653444988.db2.gz IUIFWXZGGCQILM-ZDUSSCGKSA-N 1 0 391.295 2.465 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1Cl ZINC000859348799 653447337 /nfs/dbraw/zinc/44/73/37/653447337.db2.gz YRRFGODGVHXFHQ-ZDUSSCGKSA-N 1 0 386.901 2.422 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)cnc2Br)CC1 ZINC000812967225 653448266 /nfs/dbraw/zinc/44/82/66/653448266.db2.gz CZRIUJPKPKTNEH-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000876835533 653450443 /nfs/dbraw/zinc/45/04/43/653450443.db2.gz XNKSCOJKJUAQKV-CQSZACIVSA-N 1 0 386.279 2.022 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(Br)cnc2F)CC1 ZINC000876917997 653453844 /nfs/dbraw/zinc/45/38/44/653453844.db2.gz DOSSLCLBNQFJEG-UONOGXRCSA-N 1 0 386.265 2.342 20 0 GEADRO Nc1cc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc(Br)n1 ZINC000876969644 653457237 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NC(=O)C[C@@H]([NH2+]Cc1nc(Cl)ccc1Br)C1CCOCC1 ZINC000877326296 653476058 /nfs/dbraw/zinc/47/60/58/653476058.db2.gz WDUTYAOAXWZXFJ-LLVKDONJSA-N 1 0 376.682 2.258 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877328451 653476473 /nfs/dbraw/zinc/47/64/73/653476473.db2.gz JJTOMQSUCHFYEB-CQSZACIVSA-N 1 0 385.277 2.406 20 0 GEADRO COc1cc(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1Br ZINC000877329077 653476680 /nfs/dbraw/zinc/47/66/80/653476680.db2.gz QJTXMNWZESHOIA-ZDUSSCGKSA-N 1 0 383.286 2.346 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)cn3ccnc23)C[C@@H]1C(F)(F)F ZINC000877352502 653477493 /nfs/dbraw/zinc/47/74/93/653477493.db2.gz GXPSDBNPLNDFJW-KWQFWETISA-N 1 0 391.191 2.306 20 0 GEADRO COc1ncc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Br ZINC000877357573 653478644 /nfs/dbraw/zinc/47/86/44/653478644.db2.gz LHORVLGHFAVBPH-IUCAKERBSA-N 1 0 382.180 2.062 20 0 GEADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877365351 653478860 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1 0 383.279 2.094 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1Br ZINC000877487872 653526497 /nfs/dbraw/zinc/52/64/97/653526497.db2.gz GMZNWQVIEVHWRO-UHFFFAOYSA-N 1 0 390.299 2.293 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1Br ZINC000877508337 653607520 /nfs/dbraw/zinc/60/75/20/653607520.db2.gz XCOGCDCIRWYCIC-SWLSCSKDSA-N 1 0 388.302 2.483 20 0 GEADRO COC(=O)c1csc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 ZINC000877566963 653612412 /nfs/dbraw/zinc/61/24/12/653612412.db2.gz RPXPSVYIPCWHFP-JQWIXIFHSA-N 1 0 376.400 2.377 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C(C)(C)CN2CCOCC2)cc1Br ZINC000877589294 653613362 /nfs/dbraw/zinc/61/33/62/653613362.db2.gz LLZYKIAZTNZKPR-UHFFFAOYSA-N 1 0 385.302 2.436 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1Br ZINC000877621065 653614343 /nfs/dbraw/zinc/61/43/43/653614343.db2.gz NFPUBHGKTDPVTM-LBPRGKRZSA-N 1 0 383.242 2.309 20 0 GEADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1(C)C ZINC000877626384 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CN(C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)C1C[NH2+]C1 ZINC000841246197 653712245 /nfs/dbraw/zinc/71/22/45/653712245.db2.gz VIUDGECTIRZRJS-SNVBAGLBSA-N 1 0 388.320 2.341 20 0 GEADRO Cc1cnc(Br)c(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000841247938 653712251 /nfs/dbraw/zinc/71/22/51/653712251.db2.gz HIOAYKJJTXTTPK-LBPRGKRZSA-N 1 0 383.290 2.372 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000785581735 653712859 /nfs/dbraw/zinc/71/28/59/653712859.db2.gz UAXPLSCDCGEMQR-CYBMUJFWSA-N 1 0 396.285 2.272 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000841283428 653712925 /nfs/dbraw/zinc/71/29/25/653712925.db2.gz SFWUVGSRBXLHMG-CQSZACIVSA-N 1 0 395.301 2.019 20 0 GEADRO CS[C@@H]1CN(C(=O)/C(=C\c2cccs2)NC(C)=O)C[C@H]1[NH+]1CCCC1 ZINC000817559883 653714268 /nfs/dbraw/zinc/71/42/68/653714268.db2.gz FASGZGCFDBWFLN-QYHCQRMFSA-N 1 0 379.551 2.263 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817581585 653715027 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C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cccc(F)c1Br ZINC000881137303 653720889 /nfs/dbraw/zinc/72/08/89/653720889.db2.gz KREWJVXDOSVLHG-SNVBAGLBSA-N 1 0 387.253 2.172 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000864053100 653724995 /nfs/dbraw/zinc/72/49/95/653724995.db2.gz RZDYABGCAWSNLG-ZIAGYGMSSA-N 1 0 375.254 2.462 20 0 GEADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@@H]1C[NH3+] ZINC000817863540 653721405 /nfs/dbraw/zinc/72/14/05/653721405.db2.gz DSBSXNXUHZFLRI-DYEKYZERSA-N 1 0 387.933 2.036 20 0 GEADRO Cn1c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1-c1ccc(Br)cc1 ZINC000863830937 653721576 /nfs/dbraw/zinc/72/15/76/653721576.db2.gz BNEIOEPNXPNIGP-HNNXBMFYSA-N 1 0 392.297 2.251 20 0 GEADRO Cc1ccc(Br)nc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786391530 653721982 /nfs/dbraw/zinc/72/19/82/653721982.db2.gz WSRPXEKITNHGLF-UHFFFAOYSA-N 1 0 396.285 2.052 20 0 GEADRO C[N@H+](CC(=O)N1CCC(O)(c2scnc2Br)CC1)C1CCC1 ZINC000863912193 653722111 /nfs/dbraw/zinc/72/21/11/653722111.db2.gz HGECADIXEDLSOZ-UHFFFAOYSA-N 1 0 388.331 2.200 20 0 GEADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000818012639 653723886 /nfs/dbraw/zinc/72/38/86/653723886.db2.gz RIBNXNZSGONWEE-AWEZNQCLSA-N 1 0 393.285 2.133 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881270781 653724246 /nfs/dbraw/zinc/72/42/46/653724246.db2.gz JWHQDOFQQFLBSB-UHFFFAOYSA-N 1 0 385.262 2.195 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000881271949 653724908 /nfs/dbraw/zinc/72/49/08/653724908.db2.gz YODCPZWDZDCWRR-SNVBAGLBSA-N 1 0 397.273 2.195 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc(Br)cnc2F)C1 ZINC000864086652 653725952 /nfs/dbraw/zinc/72/59/52/653725952.db2.gz HMFDPCSARKJHJH-XBFCOCLRSA-N 1 0 386.265 2.484 20 0 GEADRO CCn1nc(C)c(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000881378220 653729050 /nfs/dbraw/zinc/72/90/50/653729050.db2.gz JFCCODFHQSPARQ-OAHLLOKOSA-N 1 0 376.262 2.057 20 0 GEADRO C[C@@](O)(Cn1cc(COCC[NH3+])nn1)c1ccc(Br)cc1Cl ZINC000881424158 653730774 /nfs/dbraw/zinc/73/07/74/653730774.db2.gz LDSZVEKIYHBPLI-CQSZACIVSA-N 1 0 389.681 2.077 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)CCN3C(=S)N=NC3c3cccs3)CC[C@@H]21 ZINC000881440262 653731345 /nfs/dbraw/zinc/73/13/45/653731345.db2.gz XJMSOISGJDAZCO-STQMWFEESA-N 1 0 377.539 2.238 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000818522176 653732557 /nfs/dbraw/zinc/73/25/57/653732557.db2.gz HLONHMWVAIOYDN-IINYFYTJSA-N 1 0 389.315 2.100 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC[NH2+]CC2(C)C)ccc1Cl ZINC000818524999 653732777 /nfs/dbraw/zinc/73/27/77/653732777.db2.gz UGPBHHUBIAILDP-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO CN(CC(=O)Nc1cccc(OCC[NH3+])c1)C(=O)c1ccc(Br)o1 ZINC000818543283 653733307 /nfs/dbraw/zinc/73/33/07/653733307.db2.gz OGTRTAZKUUNRIC-UHFFFAOYSA-N 1 0 396.241 2.090 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818560024 653733495 /nfs/dbraw/zinc/73/34/95/653733495.db2.gz ZNPAHDGDAKGOMC-YGRLFVJLSA-N 1 0 389.315 2.195 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000818563650 653733591 /nfs/dbraw/zinc/73/35/91/653733591.db2.gz PZWGHGKQOFIGOU-VXGBXAGGSA-N 1 0 387.933 2.226 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1Cl ZINC000818563028 653733616 /nfs/dbraw/zinc/73/36/16/653733616.db2.gz AYWFLPZOASSWSM-OLZOCXBDSA-N 1 0 387.933 2.180 20 0 GEADRO C[C@@]1(CNC(=O)c2cn(-c3ccccc3Br)nn2)CCC[NH2+]C1 ZINC000818573957 653733847 /nfs/dbraw/zinc/73/38/47/653733847.db2.gz ZKDJBNSFUAFOEP-MRXNPFEDSA-N 1 0 378.274 2.149 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000818590433 653733994 /nfs/dbraw/zinc/73/39/94/653733994.db2.gz SGHYEMSJMPXHAK-HFAKWTLXSA-N 1 0 378.274 2.146 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000818582425 653734083 /nfs/dbraw/zinc/73/40/83/653734083.db2.gz PZSVYLREBFCEOY-GFCCVEGCSA-N 1 0 375.922 2.098 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000818594028 653734210 /nfs/dbraw/zinc/73/42/10/653734210.db2.gz ZVYJXSKOPLQPCE-QGZVFWFLSA-N 1 0 387.933 2.180 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000818594216 653734270 /nfs/dbraw/zinc/73/42/70/653734270.db2.gz KOAZBPFEVFFVGM-KRWDZBQOSA-N 1 0 387.933 2.228 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)C2(C[NH3+])CCC2)ccc1Cl ZINC000818596137 653734378 /nfs/dbraw/zinc/73/43/78/653734378.db2.gz ALPDZGIFUNLSEC-UHFFFAOYSA-N 1 0 387.933 2.324 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000818594642 653734416 /nfs/dbraw/zinc/73/44/16/653734416.db2.gz KJLSPTWZDBVDRR-NSHDSACASA-N 1 0 389.315 2.115 20 0 GEADRO CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1(C[NH3+])CCC1 ZINC000818596198 653734420 /nfs/dbraw/zinc/73/44/20/653734420.db2.gz CAQDQPWOWFHSTN-UHFFFAOYSA-N 1 0 385.917 2.078 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000818937532 653738572 /nfs/dbraw/zinc/73/85/72/653738572.db2.gz JRVZQXCEUAJZNJ-CQSZACIVSA-N 1 0 379.258 2.149 20 0 GEADRO CS(=O)(=O)NC1(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)CCCCC1 ZINC000818946986 653738985 /nfs/dbraw/zinc/73/89/85/653738985.db2.gz ZGJPGKBRQKHGPZ-HNNXBMFYSA-N 1 0 378.897 2.354 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818946989 653739034 /nfs/dbraw/zinc/73/90/34/653739034.db2.gz ZGRSCXUDZQJCEG-OAHLLOKOSA-N 1 0 381.325 2.431 20 0 GEADRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000818954380 653739250 /nfs/dbraw/zinc/73/92/50/653739250.db2.gz RUNIXOKKNPWHQI-MRXNPFEDSA-N 1 0 399.310 2.180 20 0 GEADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000818958140 653739443 /nfs/dbraw/zinc/73/94/43/653739443.db2.gz KJTUNZDOFKLENL-QGZVFWFLSA-N 1 0 386.876 2.222 20 0 GEADRO C[C@](O)(CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1F ZINC000818986265 653740021 /nfs/dbraw/zinc/74/00/21/653740021.db2.gz JSUDZEBGDKUHBY-VBQJREDUSA-N 1 0 387.293 2.249 20 0 GEADRO CCS(=O)(=O)CC[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000818990049 653740141 /nfs/dbraw/zinc/74/01/41/653740141.db2.gz FLSAWMGADDDNGO-UHFFFAOYSA-N 1 0 377.304 2.110 20 0 GEADRO O=C(CC[NH2+]C[C@@H]1CN2CCC[C@H]2CO1)Nc1cccc(Br)c1 ZINC000818986587 653740149 /nfs/dbraw/zinc/74/01/49/653740149.db2.gz QDJIJTUBQLWJIR-JKSUJKDBSA-N 1 0 382.302 2.231 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000818991136 653740215 /nfs/dbraw/zinc/74/02/15/653740215.db2.gz XFGNGSVAZKALTG-OAHLLOKOSA-N 1 0 380.432 2.000 20 0 GEADRO COC(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c(Br)c1 ZINC000787570475 653740332 /nfs/dbraw/zinc/74/03/32/653740332.db2.gz KGUCXHYZWOFLLQ-HNNXBMFYSA-N 1 0 381.270 2.479 20 0 GEADRO O=C(NCCC[NH2+]C[C@@H](O)c1ccc(F)cn1)c1cccc(Br)c1 ZINC000818992776 653740414 /nfs/dbraw/zinc/74/04/14/653740414.db2.gz TZSOCWQWRKIGGN-MRXNPFEDSA-N 1 0 396.260 2.426 20 0 GEADRO COCCN(C)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819007339 653740719 /nfs/dbraw/zinc/74/07/19/653740719.db2.gz WIBMTCBITUUURX-HNNXBMFYSA-N 1 0 379.726 2.478 20 0 GEADRO COC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000819003007 653740793 /nfs/dbraw/zinc/74/07/93/653740793.db2.gz MOWYRTGBMXZPQI-KBPBESRZSA-N 1 0 387.274 2.009 20 0 GEADRO O[C@H](C[NH2+]CCc1ccc(Br)cc1F)COC1CCOCC1 ZINC000819039285 653741247 /nfs/dbraw/zinc/74/12/47/653741247.db2.gz AVZMFCSKXGDISQ-CQSZACIVSA-N 1 0 376.266 2.277 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)NCC1CCC1 ZINC000819049979 653741470 /nfs/dbraw/zinc/74/14/70/653741470.db2.gz ZOZILGDYNJLKSJ-HNNXBMFYSA-N 1 0 380.432 2.048 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCN1CC(F)(F)F ZINC000819055887 653741814 /nfs/dbraw/zinc/74/18/14/653741814.db2.gz SRONWCYEHOCNFO-NWDGAFQWSA-N 1 0 381.192 2.235 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819065948 653742379 /nfs/dbraw/zinc/74/23/79/653742379.db2.gz VWRNGDRMIRRRES-YGRLFVJLSA-N 1 0 382.295 2.209 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCCC1=CC[NH2+]CC1 ZINC000841985429 653743101 /nfs/dbraw/zinc/74/31/01/653743101.db2.gz MHLKNHJVSXVPGI-INIZCTEOSA-N 1 0 382.302 2.434 20 0 GEADRO CC(C)n1ncc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000864667509 653743233 /nfs/dbraw/zinc/74/32/33/653743233.db2.gz DEQUPCVGMYOMGW-STQMWFEESA-N 1 0 387.322 2.456 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000787753428 653743305 /nfs/dbraw/zinc/74/33/05/653743305.db2.gz HECDNZKTLUIZBP-NSHDSACASA-N 1 0 386.290 2.208 20 0 GEADRO COc1ccc([C@@H](O)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000787759139 653743481 /nfs/dbraw/zinc/74/34/81/653743481.db2.gz NMTJQFKEKXIRHO-WBMJQRKESA-N 1 0 381.270 2.331 20 0 GEADRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)C2=O)n1 ZINC000819113190 653743902 /nfs/dbraw/zinc/74/39/02/653743902.db2.gz MKLXNFSRRCJNBA-LSDHHAIUSA-N 1 0 393.285 2.001 20 0 GEADRO CON(C)C(=O)CC[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000819163175 653744761 /nfs/dbraw/zinc/74/47/61/653744761.db2.gz HHRPBMFJODXNDY-UHFFFAOYSA-N 1 0 384.318 2.413 20 0 GEADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819171258 653744990 /nfs/dbraw/zinc/74/49/90/653744990.db2.gz FWDLAQJHZRZRQO-KBPBESRZSA-N 1 0 391.331 2.214 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)c(C)s1 ZINC000819179442 653745375 /nfs/dbraw/zinc/74/53/75/653745375.db2.gz BKDICHUXMJQFMH-HNNXBMFYSA-N 1 0 390.477 2.245 20 0 GEADRO CN(CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl)S(=O)(=O)c1cccs1 ZINC000819179688 653745427 /nfs/dbraw/zinc/74/54/27/653745427.db2.gz GTHMTWPXYIHUND-AWEZNQCLSA-N 1 0 392.905 2.484 20 0 GEADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819212190 653746436 /nfs/dbraw/zinc/74/64/36/653746436.db2.gz JOWFFTXZDKPJOT-KRWDZBQOSA-N 1 0 376.469 2.038 20 0 GEADRO CC1(C)OCC([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CO1 ZINC000819226538 653746723 /nfs/dbraw/zinc/74/67/23/653746723.db2.gz STVXLOHYMKSQJW-CYBMUJFWSA-N 1 0 378.238 2.069 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000864862071 653746952 /nfs/dbraw/zinc/74/69/52/653746952.db2.gz GHNDYZLVRSGVOI-UHFFFAOYSA-N 1 0 390.272 2.485 20 0 GEADRO CS(=O)(=O)CCCCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819243281 653747199 /nfs/dbraw/zinc/74/71/99/653747199.db2.gz SHYKIZSSEJNCTR-CQSZACIVSA-N 1 0 382.295 2.426 20 0 GEADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCCSC(F)(F)F)cc1 ZINC000842200695 653747327 /nfs/dbraw/zinc/74/73/27/653747327.db2.gz OGYXTRIZHIRKMG-CYBMUJFWSA-N 1 0 377.432 2.295 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)ccc1S(N)(=O)=O ZINC000819266094 653747497 /nfs/dbraw/zinc/74/74/97/653747497.db2.gz DNNYKVKHBLVPBF-OAHLLOKOSA-N 1 0 399.310 2.228 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000842202156 653747544 /nfs/dbraw/zinc/74/75/44/653747544.db2.gz DUBNQMAEJPNMNF-UHFFFAOYSA-N 1 0 378.782 2.293 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1nc(Br)sc1Cl ZINC000864888199 653747988 /nfs/dbraw/zinc/74/79/88/653747988.db2.gz WBJHOABQJQOERL-UHFFFAOYSA-N 1 0 382.711 2.401 20 0 GEADRO O=S(=O)(NCCC[NH2+]C[C@H](O)c1ccc(F)cc1)c1ccccc1Cl ZINC000819282783 653748003 /nfs/dbraw/zinc/74/80/03/653748003.db2.gz BMXYJWPDHJTCLA-INIZCTEOSA-N 1 0 386.876 2.471 20 0 GEADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000819308356 653748888 /nfs/dbraw/zinc/74/88/88/653748888.db2.gz QXAXKHJUMQIQRJ-GJZGRUSLSA-N 1 0 380.432 2.143 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842220984 653748942 /nfs/dbraw/zinc/74/89/42/653748942.db2.gz LZFNQWLBEVLNDV-SFHVURJKSA-N 1 0 384.307 2.254 20 0 GEADRO O[C@@H](C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000819310390 653749029 /nfs/dbraw/zinc/74/90/29/653749029.db2.gz WVRRMHJIHDAUEV-KBPBESRZSA-N 1 0 397.235 2.335 20 0 GEADRO COc1ccc(Br)c([C@@H]2C(=O)N(C3CC[NH+](C)CC3)C(=O)N2C)c1 ZINC000842236639 653749177 /nfs/dbraw/zinc/74/91/77/653749177.db2.gz UPTIREYAUOUSTF-OAHLLOKOSA-N 1 0 396.285 2.487 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc(Br)cc1=O)c1ccc(F)cc1 ZINC000864942774 653749193 /nfs/dbraw/zinc/74/91/93/653749193.db2.gz XTVIKSKIOWWWNK-HNNXBMFYSA-N 1 0 396.260 2.169 20 0 GEADRO C[C@]1(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)OCCc2sccc21 ZINC000819322038 653749275 /nfs/dbraw/zinc/74/92/75/653749275.db2.gz PNXMMKAXEOJJDP-FUHWJXTLSA-N 1 0 381.519 2.263 20 0 GEADRO CCC(O)(CC)CC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000788076024 653749339 /nfs/dbraw/zinc/74/93/39/653749339.db2.gz CMLNXCCCQUTGAQ-CYBMUJFWSA-N 1 0 377.938 2.235 20 0 GEADRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819343711 653749609 /nfs/dbraw/zinc/74/96/09/653749609.db2.gz ALWGGRHSSHFKDP-XZJROXQQSA-N 1 0 376.266 2.437 20 0 GEADRO CCS(=O)(=O)CC[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000819374401 653749799 /nfs/dbraw/zinc/74/97/99/653749799.db2.gz LFVNVOZYGFBAMU-UHFFFAOYSA-N 1 0 389.359 2.438 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)c2ccc(Br)cc2)CCC1 ZINC000819377992 653749967 /nfs/dbraw/zinc/74/99/67/653749967.db2.gz YDPOUEWDQISPHG-AWEZNQCLSA-N 1 0 376.316 2.287 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819461473 653751107 /nfs/dbraw/zinc/75/11/07/653751107.db2.gz WAUNTUVMSJZYHN-OAHLLOKOSA-N 1 0 386.334 2.257 20 0 GEADRO COc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cnc1Br ZINC000788193564 653751936 /nfs/dbraw/zinc/75/19/36/653751936.db2.gz TWACFBUOKYMVLC-ZDUSSCGKSA-N 1 0 386.290 2.036 20 0 GEADRO COc1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cnc1Br ZINC000788215562 653752431 /nfs/dbraw/zinc/75/24/31/653752431.db2.gz BJUZQCJNZJQJGB-UHFFFAOYSA-N 1 0 386.290 2.036 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc3nnc(Br)n3n2)[C@H](C)C1 ZINC000881988208 653755464 /nfs/dbraw/zinc/75/54/64/653755464.db2.gz TVWSUMDZVILYTR-OLZOCXBDSA-N 1 0 397.321 2.436 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C(F)(F)F)n1 ZINC000819717179 653756262 /nfs/dbraw/zinc/75/62/62/653756262.db2.gz CHBKFPVXIUVCAU-ZOWXZIJZSA-N 1 0 377.432 2.144 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC000882007502 653756724 /nfs/dbraw/zinc/75/67/24/653756724.db2.gz KVXYQGRSWOPCKS-DGAVXFQQSA-N 1 0 385.357 2.084 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(Br)cc1Cl ZINC000865202249 653757119 /nfs/dbraw/zinc/75/71/19/653757119.db2.gz JBLFYPHSAIESFM-GFCCVEGCSA-N 1 0 388.737 2.397 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000842480252 653757700 /nfs/dbraw/zinc/75/77/00/653757700.db2.gz RUTNQYYEMUNZDN-VNHYZAJKSA-N 1 0 388.917 2.126 20 0 GEADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)CC=C(Cl)Cl)CC2)CC1 ZINC000882026099 653757766 /nfs/dbraw/zinc/75/77/66/653757766.db2.gz WOFCXJBZXRYDJF-UHFFFAOYSA-N 1 0 384.373 2.126 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(CCS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000842478819 653757834 /nfs/dbraw/zinc/75/78/34/653757834.db2.gz KUOVZWFMSSFFMV-WMZOPIPTSA-N 1 0 386.945 2.332 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000842482550 653757920 /nfs/dbraw/zinc/75/79/20/653757920.db2.gz AWRSQSCQMAGGFX-BLLLJJGKSA-N 1 0 390.933 2.420 20 0 GEADRO O=S(=O)(/C=C/c1ccccc1Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000842483926 653758353 /nfs/dbraw/zinc/75/83/53/653758353.db2.gz XNAHBDPTUSUBCK-NTEUORMPSA-N 1 0 383.945 2.447 20 0 GEADRO C[C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000865264530 653758470 /nfs/dbraw/zinc/75/84/70/653758470.db2.gz HJIOEZOOGISAOJ-AWEZNQCLSA-N 1 0 385.599 2.246 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000842485948 653758607 /nfs/dbraw/zinc/75/86/07/653758607.db2.gz QSDNEINYHXDELI-STQMWFEESA-N 1 0 394.324 2.295 20 0 GEADRO CCCn1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)nn1 ZINC000865292876 653759153 /nfs/dbraw/zinc/75/91/53/653759153.db2.gz SQWWBLLGQQHFHI-UHFFFAOYSA-N 1 0 381.278 2.294 20 0 GEADRO CN1C(=O)N(CCOCC[NH+](C)C)C(=O)[C@@H]1c1ccc(Br)s1 ZINC000865304546 653759644 /nfs/dbraw/zinc/75/96/44/653759644.db2.gz DIESGHKJIHLYQR-LBPRGKRZSA-N 1 0 390.303 2.024 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000788603146 653760551 /nfs/dbraw/zinc/76/05/51/653760551.db2.gz XWLFKPZHIYBOKP-ZIAGYGMSSA-N 1 0 379.917 2.486 20 0 GEADRO COc1cc2[nH+]ccc(N3CCCN(CC(N)=O)CC3)c2cc1Br ZINC000819910323 653762186 /nfs/dbraw/zinc/76/21/86/653762186.db2.gz JOAQFTAFLKSXFA-UHFFFAOYSA-N 1 0 393.285 2.003 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c(C)c1Cl ZINC000788676122 653763067 /nfs/dbraw/zinc/76/30/67/653763067.db2.gz JWPUIYVIIQVMIT-UHFFFAOYSA-N 1 0 380.919 2.259 20 0 GEADRO CNC(=O)[C@H](C[NH2+]Cc1cc(Br)nn1C)Cc1ccc(F)cc1C ZINC000842718641 653764405 /nfs/dbraw/zinc/76/44/05/653764405.db2.gz RDDQWDFFMCEYNG-ZDUSSCGKSA-N 1 0 397.292 2.325 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000842717490 653764464 /nfs/dbraw/zinc/76/44/64/653764464.db2.gz VPQMOJZFRMWONF-UHFFFAOYSA-N 1 0 399.332 2.093 20 0 GEADRO Cc1ccnc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1Br ZINC000865426353 653764827 /nfs/dbraw/zinc/76/48/27/653764827.db2.gz LZVPPWLVSRMWGL-MRXNPFEDSA-N 1 0 386.359 2.450 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000788821371 653764996 /nfs/dbraw/zinc/76/49/96/653764996.db2.gz DZZOOHZWVKJFJB-KFWWJZLASA-N 1 0 376.316 2.428 20 0 GEADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000842737071 653765433 /nfs/dbraw/zinc/76/54/33/653765433.db2.gz NANNHLFFDWLOHK-UHFFFAOYSA-N 1 0 382.711 2.388 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(C)c1Cl ZINC000842747467 653765721 /nfs/dbraw/zinc/76/57/21/653765721.db2.gz IKPXVUGNQPEXSX-JTQLQIEISA-N 1 0 378.903 2.012 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000842766395 653766509 /nfs/dbraw/zinc/76/65/09/653766509.db2.gz SDOAXFIWTXZXKD-KRWDZBQOSA-N 1 0 381.885 2.271 20 0 GEADRO O=S(=O)(N1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1)C(F)(F)F ZINC000865488446 653766599 /nfs/dbraw/zinc/76/65/99/653766599.db2.gz CUULVOCCCXNFOO-UHFFFAOYSA-N 1 0 375.775 2.278 20 0 GEADRO CC(=O)Nc1cccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000865489875 653766603 /nfs/dbraw/zinc/76/66/03/653766603.db2.gz VYVRYAFCRMHOHC-UHFFFAOYSA-N 1 0 379.404 2.049 20 0 GEADRO COc1ncc(Br)cc1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000865495152 653766792 /nfs/dbraw/zinc/76/67/92/653766792.db2.gz JSKDPVOPPVCRQA-CVEARBPZSA-N 1 0 384.318 2.320 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842798746 653768210 /nfs/dbraw/zinc/76/82/10/653768210.db2.gz UOQOKDLPWORPFJ-UHFFFAOYSA-N 1 0 377.279 2.445 20 0 GEADRO C[C@@H](Nc1ccc(Br)cc1S(N)(=O)=O)C(C)(C)C[NH+](C)C ZINC000865557761 653768424 /nfs/dbraw/zinc/76/84/24/653768424.db2.gz HKSINHCQVYIHKR-SNVBAGLBSA-N 1 0 378.336 2.485 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H]1CCCS(=O)(=O)C1)CC(F)(F)F ZINC000865570877 653768827 /nfs/dbraw/zinc/76/88/27/653768827.db2.gz OWJTXCFAKMINDY-VXGBXAGGSA-N 1 0 388.452 2.247 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000842814078 653769142 /nfs/dbraw/zinc/76/91/42/653769142.db2.gz DZWPFHFVLHZMJG-PSASIEDQSA-N 1 0 381.267 2.016 20 0 GEADRO O=S(=O)(N1CCC(Nc2cc[nH+]cc2C(F)(F)F)CC1)C(F)(F)F ZINC000865605753 653769873 /nfs/dbraw/zinc/76/98/73/653769873.db2.gz YWRMECBQRKGOTL-UHFFFAOYSA-N 1 0 377.310 2.248 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c(C)c1Cl ZINC000842827647 653770062 /nfs/dbraw/zinc/77/00/62/653770062.db2.gz XQZXDGUXWFZRHB-UHFFFAOYSA-N 1 0 380.919 2.165 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c(C)c1Cl ZINC000842839224 653770240 /nfs/dbraw/zinc/77/02/40/653770240.db2.gz ZKWVOCRELXKMJK-JTQLQIEISA-N 1 0 380.919 2.246 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(F)c(Br)cc1F ZINC000865674671 653771591 /nfs/dbraw/zinc/77/15/91/653771591.db2.gz CTXVZCONVPNIFM-UHFFFAOYSA-N 1 0 390.272 2.437 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c(C)c1Cl ZINC000842892215 653772308 /nfs/dbraw/zinc/77/23/08/653772308.db2.gz HSMHLQANBQQGFR-SNVBAGLBSA-N 1 0 380.919 2.307 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c(C)c1Cl ZINC000842892214 653772345 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CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000789386053 653773553 /nfs/dbraw/zinc/77/35/53/653773553.db2.gz HENCFNOMVQAGFZ-GOEBONIOSA-N 1 0 383.583 2.490 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)cn2)[C@@H](O)C1 ZINC000865748284 653773799 /nfs/dbraw/zinc/77/37/99/653773799.db2.gz SOCUQRQSCHVCCB-KBPBESRZSA-N 1 0 386.290 2.304 20 0 GEADRO O=C1OC[C@@]2(C[NH2+]Cc3ccc(Cl)cc3Br)COCCN12 ZINC000865768781 653774192 /nfs/dbraw/zinc/77/41/92/653774192.db2.gz BYUCPMONUQGMET-CQSZACIVSA-N 1 0 375.650 2.413 20 0 GEADRO C[C@H](C[NH2+]Cc1cnc(C2OCCO2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000865783372 653774855 /nfs/dbraw/zinc/77/48/55/653774855.db2.gz PIEUTHLVLSFLCC-GFCCVEGCSA-N 1 0 382.507 2.485 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000865792584 653775196 /nfs/dbraw/zinc/77/51/96/653775196.db2.gz VJQUWUBNSBVCIU-FGTMMUONSA-N 1 0 392.341 2.089 20 0 GEADRO C[C@H](CNC(=O)c1nc(Br)sc1Cl)C[NH+]1CCN(C)CC1 ZINC000865802774 653775623 /nfs/dbraw/zinc/77/56/23/653775623.db2.gz OAIXEMBLXLWMFM-SECBINFHSA-N 1 0 395.754 2.172 20 0 GEADRO COc1cc(C[NH2+]CC(C)(C)CS(N)(=O)=O)c(F)cc1Br ZINC000865814387 653775958 /nfs/dbraw/zinc/77/59/58/653775958.db2.gz SPYXKHOIFQLUEA-UHFFFAOYSA-N 1 0 383.283 2.001 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(C)nc3sc(C)cn32)cc1 ZINC000865819252 653776239 /nfs/dbraw/zinc/77/62/39/653776239.db2.gz QFXCARJIFWTZHC-UHFFFAOYSA-N 1 0 378.523 2.253 20 0 GEADRO C[N@@H+]1CCN(c2ccc3nnc(Br)n3n2)C[C@H]1Cc1ccccc1 ZINC000882329389 653776565 /nfs/dbraw/zinc/77/65/65/653776565.db2.gz GSFZNUYWKLKVJB-CQSZACIVSA-N 1 0 387.285 2.250 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc(N)nc(Br)c2)CC1 ZINC000820549412 653776618 /nfs/dbraw/zinc/77/66/18/653776618.db2.gz MAIZODYOWSBCPL-UHFFFAOYSA-N 1 0 385.306 2.046 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000820559168 653776933 /nfs/dbraw/zinc/77/69/33/653776933.db2.gz UHFZXPBAUFGBBX-QKCSRTOESA-N 1 0 380.286 2.426 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000820559167 653776973 /nfs/dbraw/zinc/77/69/73/653776973.db2.gz UHFZXPBAUFGBBX-OSMZGAPFSA-N 1 0 380.286 2.426 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000843041443 653777902 /nfs/dbraw/zinc/77/79/02/653777902.db2.gz YTROTOXOPUXAAS-GHMZBOCLSA-N 1 0 377.894 2.011 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000843049005 653777977 /nfs/dbraw/zinc/77/79/77/653777977.db2.gz FAXRNDKNXKOJHE-IUCAKERBSA-N 1 0 381.782 2.462 20 0 GEADRO Cc1c(NC(=O)C(=O)NCCCCCC[NH3+])cnc(Cl)c1Br ZINC000843053152 653778277 /nfs/dbraw/zinc/77/82/77/653778277.db2.gz XRFLSTYRBJFTEM-UHFFFAOYSA-N 1 0 391.697 2.380 20 0 GEADRO C[NH+](C)C1CCC(Nc2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865884412 653778504 /nfs/dbraw/zinc/77/85/04/653778504.db2.gz WYWUTHZQQTVFRC-UHFFFAOYSA-N 1 0 376.320 2.381 20 0 GEADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843065345 653778570 /nfs/dbraw/zinc/77/85/70/653778570.db2.gz KYFXQISNHJPYIK-RDJZCZTQSA-N 1 0 380.286 2.339 20 0 GEADRO OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843065158 653778582 /nfs/dbraw/zinc/77/85/82/653778582.db2.gz JVYDFDKSFDNAHE-NVXWUHKLSA-N 1 0 380.286 2.339 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000843084773 653778744 /nfs/dbraw/zinc/77/87/44/653778744.db2.gz CLNRHXISRUBBSC-GUYCJALGSA-N 1 0 376.856 2.378 20 0 GEADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CSCCS1 ZINC000882380018 653779034 /nfs/dbraw/zinc/77/90/34/653779034.db2.gz PETLZULSVXBIKG-QGZVFWFLSA-N 1 0 380.579 2.368 20 0 GEADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000843096354 653779355 /nfs/dbraw/zinc/77/93/55/653779355.db2.gz YYRAZGFZIDBBSP-RHSMWYFYSA-N 1 0 376.856 2.378 20 0 GEADRO C[C@@](O)(C[NH2+][C@H](CO)Cc1ccncc1)c1ccc(Br)cc1F ZINC000843109355 653779513 /nfs/dbraw/zinc/77/95/13/653779513.db2.gz DQBRBHWSXBWPBK-WMLDXEAASA-N 1 0 383.261 2.384 20 0 GEADRO C[C@](O)(C[NH2+][C@@H](CO)Cc1ccncc1)c1ccc(Br)cc1F ZINC000843109351 653779518 /nfs/dbraw/zinc/77/95/18/653779518.db2.gz DQBRBHWSXBWPBK-PBHICJAKSA-N 1 0 383.261 2.384 20 0 GEADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@H]1O)COc1cccc(Br)c1 ZINC000843115844 653779964 /nfs/dbraw/zinc/77/99/64/653779964.db2.gz JYDQHVPJSPAABX-MZMPZRCHSA-N 1 0 394.265 2.273 20 0 GEADRO Cn1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccc(Cl)s2)n1 ZINC000789750704 653781030 /nfs/dbraw/zinc/78/10/30/653781030.db2.gz CREFRVFNLLXZBS-NWDGAFQWSA-N 1 0 380.901 2.395 20 0 GEADRO [NH3+]C1(Cc2nc(-c3cccn4c(I)cnc34)no2)CCC1 ZINC000843224043 653781645 /nfs/dbraw/zinc/78/16/45/653781645.db2.gz JDKUDQKUQPLZKK-UHFFFAOYSA-N 1 0 395.204 2.413 20 0 GEADRO [NH3+]C1(Cc2nc(-c3ccc4ncc(I)n4c3)no2)CCC1 ZINC000843224721 653781952 /nfs/dbraw/zinc/78/19/52/653781952.db2.gz RVWZMGIHAOVDEC-UHFFFAOYSA-N 1 0 395.204 2.413 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CCN1C(=O)c2cc(Br)ccc2S1(=O)=O ZINC000789930890 653783294 /nfs/dbraw/zinc/78/32/94/653783294.db2.gz WGYCHCQYZQWROU-LBPRGKRZSA-N 1 0 387.299 2.468 20 0 GEADRO CCN(C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1)[C@@H](C)CS(=O)(=O)CC ZINC000843439114 653786984 /nfs/dbraw/zinc/78/69/84/653786984.db2.gz ATAWIWLRWLQWSD-GXTWGEPZSA-N 1 0 375.922 2.105 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc(Cl)n1 ZINC000843445053 653787183 /nfs/dbraw/zinc/78/71/83/653787183.db2.gz SOHZOSWAXFRPAE-CQSZACIVSA-N 1 0 379.869 2.402 20 0 GEADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000843448591 653787195 /nfs/dbraw/zinc/78/71/95/653787195.db2.gz BEPPFSSNSZTUSW-BBRMVZONSA-N 1 0 377.243 2.285 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)[C@@H]1C ZINC000843471838 653787749 /nfs/dbraw/zinc/78/77/49/653787749.db2.gz DAQYUGJLTFSZKO-VXGBXAGGSA-N 1 0 387.933 2.239 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843492721 653788289 /nfs/dbraw/zinc/78/82/89/653788289.db2.gz WIOVXWOTTUEBRM-OAHLLOKOSA-N 1 0 385.302 2.275 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000843503045 653788514 /nfs/dbraw/zinc/78/85/14/653788514.db2.gz IZWYFHFIIRROMJ-MNOVXSKESA-N 1 0 375.922 2.272 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000843503303 653788700 /nfs/dbraw/zinc/78/87/00/653788700.db2.gz KEKDAKRTDWCBLY-IUCAKERBSA-N 1 0 394.324 2.290 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCCCCCC[NH3+] ZINC000843511277 653788797 /nfs/dbraw/zinc/78/87/97/653788797.db2.gz JMAIBCPDPUFMIM-UHFFFAOYSA-N 1 0 391.331 2.410 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1csc(Br)n1 ZINC000821042676 653789377 /nfs/dbraw/zinc/78/93/77/653789377.db2.gz JXARCTFCUCOOQC-QWHCGFSZSA-N 1 0 388.331 2.403 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@@H]1CCCC1(F)F ZINC000882594904 653790222 /nfs/dbraw/zinc/79/02/22/653790222.db2.gz WEBKPDWTVFCLLM-AWEZNQCLSA-N 1 0 378.489 2.165 20 0 GEADRO O=C1O[C@]2(CN1CN1CCSC[C@H]1c1nccs1)C[NH+]1CCC2CC1 ZINC000790389339 653790723 /nfs/dbraw/zinc/79/07/23/653790723.db2.gz VIHOSHMCZYVDQZ-YOEHRIQHSA-N 1 0 380.539 2.107 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000866393946 653792703 /nfs/dbraw/zinc/79/27/03/653792703.db2.gz SYTPNQSHFXQVAS-UHFFFAOYSA-N 1 0 379.356 2.472 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000843778741 653793644 /nfs/dbraw/zinc/79/36/44/653793644.db2.gz KPBHKXLLLUBZMA-MNOVXSKESA-N 1 0 387.249 2.190 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843783474 653793902 /nfs/dbraw/zinc/79/39/02/653793902.db2.gz KBMKFZSESQOXPT-MWLCHTKSSA-N 1 0 380.388 2.267 20 0 GEADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000866434313 653795299 /nfs/dbraw/zinc/79/52/99/653795299.db2.gz LACPATMFFRNHAY-KOLCDFICSA-N 1 0 376.770 2.437 20 0 GEADRO C[NH+](C)C1(CS(=O)(=O)Oc2ccccc2I)CC1 ZINC000866491487 653798674 /nfs/dbraw/zinc/79/86/74/653798674.db2.gz SFACEEKRBLZVCB-UHFFFAOYSA-N 1 0 381.235 2.094 20 0 GEADRO C[C@H]1CN(C(=O)c2csc(Br)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000821436323 653798740 /nfs/dbraw/zinc/79/87/40/653798740.db2.gz MEVUFPAEWUPJSZ-AAEUAGOBSA-N 1 0 387.347 2.004 20 0 GEADRO C[C@H](CCNC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[NH+](C)C ZINC000821480253 653799689 /nfs/dbraw/zinc/79/96/89/653799689.db2.gz BHNHXMNGLDODHP-GFCCVEGCSA-N 1 0 391.921 2.225 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000844036684 653799704 /nfs/dbraw/zinc/79/97/04/653799704.db2.gz RIFARRSBGBHWIR-NSHDSACASA-N 1 0 393.285 2.122 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1Br ZINC000866519737 653800222 /nfs/dbraw/zinc/80/02/22/653800222.db2.gz VENAWLICZBRTLR-MEDUHNTESA-N 1 0 385.258 2.330 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@H]3CCCOc4ccc(Br)cc43)COCCN12 ZINC000866523940 653800700 /nfs/dbraw/zinc/80/07/00/653800700.db2.gz HGTQKHDTIGWVLS-YOEHRIQHSA-N 1 0 397.269 2.474 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000866533551 653801023 /nfs/dbraw/zinc/80/10/23/653801023.db2.gz RWKKGRDLXPITEH-XMMPIXPASA-N 1 0 385.555 2.338 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(Br)n1 ZINC000790974607 653802181 /nfs/dbraw/zinc/80/21/81/653802181.db2.gz KASZNFKBBBSBSK-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000844176940 653802853 /nfs/dbraw/zinc/80/28/53/653802853.db2.gz XCIWEYLCHIOUAC-RHSMWYFYSA-N 1 0 396.329 2.160 20 0 GEADRO [NH3+][C@H](CC(=O)NCc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000844203799 653803221 /nfs/dbraw/zinc/80/32/21/653803221.db2.gz OLNZIENFEHORMS-OAHLLOKOSA-N 1 0 382.302 2.029 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc2ncc(I)n2c1 ZINC000844198194 653803360 /nfs/dbraw/zinc/80/33/60/653803360.db2.gz FGUYPVFTHASBBZ-JTQLQIEISA-N 1 0 386.237 2.042 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc(SC(F)(F)F)c2)CC1 ZINC000821727144 653803951 /nfs/dbraw/zinc/80/39/51/653803951.db2.gz AMVWNJFKQWYJTR-UHFFFAOYSA-N 1 0 375.416 2.145 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(I)cnn2C)C12CCC2 ZINC000866629576 653806827 /nfs/dbraw/zinc/80/68/27/653806827.db2.gz IOYHZKYTBPEUOL-CHWSQXEVSA-N 1 0 375.254 2.462 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000866629046 653806856 /nfs/dbraw/zinc/80/68/56/653806856.db2.gz CATDBUDOKKPOBL-LERXQTSPSA-N 1 0 387.265 2.462 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000791253105 653806975 /nfs/dbraw/zinc/80/69/75/653806975.db2.gz FHXDRFKWVIHWLE-WBVHZDCISA-N 1 0 375.296 2.332 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000866629748 653806957 /nfs/dbraw/zinc/80/69/57/653806957.db2.gz LKEVQUAKDFTCRE-UHFFFAOYSA-N 1 0 397.264 2.178 20 0 GEADRO COC[C@H](Cc1ccccc1)[NH2+]Cc1c(I)cnn1C ZINC000866630755 653807206 /nfs/dbraw/zinc/80/72/06/653807206.db2.gz VWEULDNAZBHLAL-ZDUSSCGKSA-N 1 0 385.249 2.372 20 0 GEADRO O=C1N[C@@H]2CN(Cc3c(Cl)cncc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000866666232 653809253 /nfs/dbraw/zinc/80/92/53/653809253.db2.gz NTAUXMKXADGALW-HZPDHXFCSA-N 1 0 384.311 2.109 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000844641028 653810852 /nfs/dbraw/zinc/81/08/52/653810852.db2.gz NHSQFVBXQPBIAG-UPJWGTAASA-N 1 0 387.933 2.143 20 0 GEADRO CCn1ncc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1Br ZINC000821893665 653811162 /nfs/dbraw/zinc/81/11/62/653811162.db2.gz IESJTXRCCJQJCC-CHWSQXEVSA-N 1 0 387.347 2.317 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)[C@@H](C)C1 ZINC000791370800 653811385 /nfs/dbraw/zinc/81/13/85/653811385.db2.gz QHGLHTLQUOHQNY-ONGXEEELSA-N 1 0 393.962 2.160 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(N)nc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000821894967 653811378 /nfs/dbraw/zinc/81/13/78/653811378.db2.gz RENYCOLHTXCULL-VXGBXAGGSA-N 1 0 385.331 2.078 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H](c2cccc(Cl)c2)C(F)F)CC1 ZINC000882818271 653811741 /nfs/dbraw/zinc/81/17/41/653811741.db2.gz INTOVXBXPSUSQX-HNNXBMFYSA-N 1 0 395.903 2.203 20 0 GEADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000895015360 653812946 /nfs/dbraw/zinc/81/29/46/653812946.db2.gz FOVJFUNIYCGOJF-RYUDHWBXSA-N 1 0 382.473 2.373 20 0 GEADRO C[NH2+]CCN(C)S(=O)(=O)c1cc(Br)cc(Br)c1 ZINC000866759635 653820396 /nfs/dbraw/zinc/82/03/96/653820396.db2.gz HDVGXBFFKRJCPJ-UHFFFAOYSA-N 1 0 386.109 2.052 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C[C@H]1C1CC1 ZINC000844766004 653817252 /nfs/dbraw/zinc/81/72/52/653817252.db2.gz XKCKJQRMXJQYGY-QWHCGFSZSA-N 1 0 395.253 2.446 20 0 GEADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000866748301 653818772 /nfs/dbraw/zinc/81/87/72/653818772.db2.gz MJLKISRLLMTNJD-DOMZBBRYSA-N 1 0 378.416 2.161 20 0 GEADRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)c(Br)cc1O ZINC000895124438 653819773 /nfs/dbraw/zinc/81/97/73/653819773.db2.gz LEISBKBKIIWHTC-UWVGGRQHSA-N 1 0 378.288 2.076 20 0 GEADRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000895147752 653820372 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COc1cccc(Br)c1CS(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000866773431 653823388 /nfs/dbraw/zinc/82/33/88/653823388.db2.gz BWAZMFGPUDGGFG-UHFFFAOYSA-N 1 0 377.304 2.006 20 0 GEADRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895238339 653824261 /nfs/dbraw/zinc/82/42/61/653824261.db2.gz YQPDXKYKTGOWIQ-WCBZVUCDSA-N 1 0 377.963 2.412 20 0 GEADRO C[C@@H](Nc1ncnc(C(F)(F)F)c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000895249583 653824576 /nfs/dbraw/zinc/82/45/76/653824576.db2.gz SGPXHHOVMAZPGR-BDAKNGLRSA-N 1 0 382.228 2.304 20 0 GEADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1cc(Br)cc(Br)c1 ZINC000866780561 653824812 /nfs/dbraw/zinc/82/48/12/653824812.db2.gz GABSHSCPEDBXSI-ZETCQYMHSA-N 1 0 386.109 2.179 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000866781488 653825109 /nfs/dbraw/zinc/82/51/09/653825109.db2.gz PDIWJECRSQKRJQ-MNOVXSKESA-N 1 0 377.304 2.018 20 0 GEADRO [NH3+][C@H]1CCCCCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000866783114 653825409 /nfs/dbraw/zinc/82/54/09/653825409.db2.gz 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ZINC000866792042 653827071 /nfs/dbraw/zinc/82/70/71/653827071.db2.gz RGJYWWNTTLRKOG-GOEBONIOSA-N 1 0 380.501 2.375 20 0 GEADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)nn1 ZINC000895313268 653827148 /nfs/dbraw/zinc/82/71/48/653827148.db2.gz DKQKCSUTXBAQMV-VWLOTQADSA-N 1 0 382.408 2.224 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000895320420 653827352 /nfs/dbraw/zinc/82/73/52/653827352.db2.gz VSYUMEQXNRKNOL-NOZJJQNGSA-N 1 0 391.107 2.337 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000895323426 653827526 /nfs/dbraw/zinc/82/75/26/653827526.db2.gz COWILTBSACNSMS-YOEHRIQHSA-N 1 0 380.286 2.261 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866796091 653827754 /nfs/dbraw/zinc/82/77/54/653827754.db2.gz VRYPNRQLFVTIEN-UHFFFAOYSA-N 1 0 389.315 2.492 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2F)[C@H](C)C1 ZINC000866796865 653828078 /nfs/dbraw/zinc/82/80/78/653828078.db2.gz MBJBMIKXRWOSLW-CHWSQXEVSA-N 1 0 393.912 2.289 20 0 GEADRO CC(C)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@]1(O)CCCOC1 ZINC000895335345 653828198 /nfs/dbraw/zinc/82/81/98/653828198.db2.gz KSHFOFBLEFJEBC-KRWDZBQOSA-N 1 0 389.949 2.290 20 0 GEADRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cn(C)nc1I ZINC000895340454 653829038 /nfs/dbraw/zinc/82/90/38/653829038.db2.gz SOMHEHPKNXELAR-SMDDNHRTSA-N 1 0 391.253 2.236 20 0 GEADRO O=C(Cc1noc([C@]23C[NH2+]C[C@H]2COC3)n1)Nc1cccc(Cl)c1Cl ZINC000844916585 653829384 /nfs/dbraw/zinc/82/93/84/653829384.db2.gz KQASDLJHTZMCIR-FVMDXXJSSA-N 1 0 383.235 2.045 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c(I)n1 ZINC000895348845 653829449 /nfs/dbraw/zinc/82/94/49/653829449.db2.gz AWLGNPBEAPDNGG-HNNXBMFYSA-N 1 0 396.276 2.389 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncc(I)s1 ZINC000883122679 653829663 /nfs/dbraw/zinc/82/96/63/653829663.db2.gz VXSAFWNRWHOPLX-RKDXNWHRSA-N 1 0 377.251 2.056 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1Cl ZINC000866806694 653829875 /nfs/dbraw/zinc/82/98/75/653829875.db2.gz RCBZLAUZTWAZCC-OCAPTIKFSA-N 1 0 383.695 2.127 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883133650 653829960 /nfs/dbraw/zinc/82/99/60/653829960.db2.gz FQUGONWIIFKJEZ-ARFHVFGLSA-N 1 0 382.302 2.409 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000866809269 653830462 /nfs/dbraw/zinc/83/04/62/653830462.db2.gz HDKQMKBJDKZEJE-SNVBAGLBSA-N 1 0 375.878 2.185 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc(Br)cc2c1OCC2)C1CC[NH2+]CC1 ZINC000866812508 653831333 /nfs/dbraw/zinc/83/13/33/653831333.db2.gz CAOIYVUFVDLTKM-JTQLQIEISA-N 1 0 389.315 2.050 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)Cc2ncsc2Br)C1 ZINC000866813750 653831337 /nfs/dbraw/zinc/83/13/37/653831337.db2.gz BDVBWEUMNXBLML-CYBMUJFWSA-N 1 0 396.376 2.432 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC[NH2+]CC1 ZINC000866820524 653832261 /nfs/dbraw/zinc/83/22/61/653832261.db2.gz JOPKQOFQTJXQGK-UHFFFAOYSA-N 1 0 384.395 2.282 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866818994 653832325 /nfs/dbraw/zinc/83/23/25/653832325.db2.gz BGRVATUYOPXAFQ-GXSJLCMTSA-N 1 0 394.722 2.260 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC[NH2+]CC1 ZINC000866821234 653832535 /nfs/dbraw/zinc/83/25/35/653832535.db2.gz WKTCXNKFOOHMBA-UHFFFAOYSA-N 1 0 398.859 2.378 20 0 GEADRO C[NH+](C)CCCOC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F ZINC000792038281 653832787 /nfs/dbraw/zinc/83/27/87/653832787.db2.gz DOJKMJKOXRWOBP-UHFFFAOYSA-N 1 0 377.285 2.022 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000883244930 653832909 /nfs/dbraw/zinc/83/29/09/653832909.db2.gz ZOHZIYJPKJNLFG-ZIAGYGMSSA-N 1 0 389.949 2.499 20 0 GEADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1I ZINC000895408424 653833162 /nfs/dbraw/zinc/83/31/62/653833162.db2.gz UPTGHGXQCMHADZ-GFCCVEGCSA-N 1 0 396.232 2.019 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)cc21 ZINC000866824312 653833408 /nfs/dbraw/zinc/83/34/08/653833408.db2.gz LSWCUVZHXKSICM-HUUCEWRRSA-N 1 0 398.326 2.456 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866830178 653834630 /nfs/dbraw/zinc/83/46/30/653834630.db2.gz BPUQYIYAFLJMNK-QWHCGFSZSA-N 1 0 389.315 2.363 20 0 GEADRO O=C(c1nc(Br)ccc1F)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000792102606 653835081 /nfs/dbraw/zinc/83/50/81/653835081.db2.gz OFRSITTVCYKABN-LBPRGKRZSA-N 1 0 386.265 2.310 20 0 GEADRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1c(I)cnn1C ZINC000895457617 653836101 /nfs/dbraw/zinc/83/61/01/653836101.db2.gz GUTCTILXGNYYIX-AWEZNQCLSA-N 1 0 382.249 2.301 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1nn2c(c1Br)CCC2)Cc1ccccc1 ZINC000895457908 653836127 /nfs/dbraw/zinc/83/61/27/653836127.db2.gz JMWAFNUVGOEAOQ-CQSZACIVSA-N 1 0 391.313 2.495 20 0 GEADRO CN(CC[NH2+][C@H]1CCc2c1c(Br)ccc2F)CCOCCO ZINC000883351052 653836636 /nfs/dbraw/zinc/83/66/36/653836636.db2.gz WJHNUHMNWOEURT-HNNXBMFYSA-N 1 0 375.282 2.106 20 0 GEADRO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCCOC1 ZINC000883354621 653837042 /nfs/dbraw/zinc/83/70/42/653837042.db2.gz ZVEXAUKORBDRMM-TZMCWYRMSA-N 1 0 391.331 2.391 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883361006 653837177 /nfs/dbraw/zinc/83/71/77/653837177.db2.gz QUYSCHYCKKVKMN-PWSUYJOCSA-N 1 0 375.359 2.305 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883374312 653837525 /nfs/dbraw/zinc/83/75/25/653837525.db2.gz XRTMXGSLJLNOCB-BPNCWPANSA-N 1 0 389.315 2.331 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)n1C ZINC000883386921 653838423 /nfs/dbraw/zinc/83/84/23/653838423.db2.gz ORHCPNOFVVEUHQ-HNNXBMFYSA-N 1 0 392.301 2.292 20 0 GEADRO O=C(c1nc(Br)ccc1F)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000792228858 653838556 /nfs/dbraw/zinc/83/85/56/653838556.db2.gz GDQQUHDSCPDHGE-LBPRGKRZSA-N 1 0 386.265 2.310 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2snc(Cl)c2Cl)CC1 ZINC000845204252 653839888 /nfs/dbraw/zinc/83/98/88/653839888.db2.gz BNQANFUOXGXLGZ-UHFFFAOYSA-N 1 0 380.297 2.455 20 0 GEADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000883468207 653840744 /nfs/dbraw/zinc/84/07/44/653840744.db2.gz LMZVMZZPQRAVHS-SNVBAGLBSA-N 1 0 397.722 2.149 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000883470495 653840985 /nfs/dbraw/zinc/84/09/85/653840985.db2.gz XPJGAZRNBPGAQA-UHFFFAOYSA-N 1 0 388.795 2.013 20 0 GEADRO Nc1nc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)nc(C(F)(F)C(F)(F)F)n1 ZINC000895565730 653841026 /nfs/dbraw/zinc/84/10/26/653841026.db2.gz XFNNIPDIUWHDPS-HTQZYQBOSA-N 1 0 384.378 2.100 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1Cl ZINC000883470817 653841068 /nfs/dbraw/zinc/84/10/68/653841068.db2.gz IVCDUJNLYNMLTD-UHFFFAOYSA-N 1 0 390.811 2.259 20 0 GEADRO COC(=O)c1ccc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)cc1Br ZINC000895574870 653841250 /nfs/dbraw/zinc/84/12/50/653841250.db2.gz AALLTYXPGWXXJM-OKILXGFUSA-N 1 0 381.270 2.146 20 0 GEADRO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)Cc1ncsc1Br ZINC000883476892 653842044 /nfs/dbraw/zinc/84/20/44/653842044.db2.gz IPYHOHZJIHWHEN-UHFFFAOYSA-N 1 0 382.349 2.329 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)Cc1cc(F)ccc1Cl)C2 ZINC000883481020 653842335 /nfs/dbraw/zinc/84/23/35/653842335.db2.gz VBMIPHWLENWHNN-UHFFFAOYSA-N 1 0 375.878 2.282 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)Cc1cc(Cl)ccc1F)C2 ZINC000883480748 653842368 /nfs/dbraw/zinc/84/23/68/653842368.db2.gz LVBFSFXGNMSVDV-UHFFFAOYSA-N 1 0 375.878 2.282 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)C1=Cc3ccccc3OCC1)C2 ZINC000883481110 653842569 /nfs/dbraw/zinc/84/25/69/653842569.db2.gz XRIUUDTWKWESOT-UHFFFAOYSA-N 1 0 377.491 2.113 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000866882758 653842650 /nfs/dbraw/zinc/84/26/50/653842650.db2.gz XYFKMZHNWXEQCM-LFPIHBKWSA-N 1 0 391.534 2.333 20 0 GEADRO COC(=O)c1cc(C[NH2+]Cc2cnn3cc(Br)cnc23)n(C)c1C ZINC000895645598 653844428 /nfs/dbraw/zinc/84/44/28/653844428.db2.gz BVLSMUPMBKDRKV-UHFFFAOYSA-N 1 0 392.257 2.215 20 0 GEADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@](C)(=O)CC ZINC000866899739 653846050 /nfs/dbraw/zinc/84/60/50/653846050.db2.gz MUZRZXIWMVWRRK-BXKMTCNYSA-N 1 0 387.571 2.193 20 0 GEADRO C[NH+](C)C1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000895696763 653846304 /nfs/dbraw/zinc/84/63/04/653846304.db2.gz GPMNVUJVMWZVTN-OAHLLOKOSA-N 1 0 381.270 2.083 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)C1 ZINC000866904255 653846990 /nfs/dbraw/zinc/84/69/90/653846990.db2.gz IBJCWKLMCIANRJ-KGLIPLIRSA-N 1 0 387.373 2.333 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc(N)nc(Br)c1 ZINC000822973836 653848077 /nfs/dbraw/zinc/84/80/77/653848077.db2.gz QPVVFQXQQQIAGP-UHFFFAOYSA-N 1 0 392.301 2.415 20 0 GEADRO O=C(NCCc1sccc1Br)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000883629657 653848750 /nfs/dbraw/zinc/84/87/50/653848750.db2.gz BKMAYPWBPCDHRP-UHFFFAOYSA-N 1 0 394.294 2.411 20 0 GEADRO O[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1ccc(F)cc1 ZINC000895753155 653848806 /nfs/dbraw/zinc/84/88/06/653848806.db2.gz OVAUSQFHSLVOMN-OAHLLOKOSA-N 1 0 379.233 2.324 20 0 GEADRO O[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Cc1ccc(F)cc1 ZINC000895752690 653848969 /nfs/dbraw/zinc/84/89/69/653848969.db2.gz KLIRWKSBQIRXFX-CQSZACIVSA-N 1 0 385.892 2.465 20 0 GEADRO C[NH2+]CCc1nc(C(C)(C)S(=O)(=O)c2ccc(Br)cc2)no1 ZINC000823011617 653850080 /nfs/dbraw/zinc/85/00/80/653850080.db2.gz DXBREJVVVSJYCS-UHFFFAOYSA-N 1 0 388.287 2.303 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000895806669 653851062 /nfs/dbraw/zinc/85/10/62/653851062.db2.gz GWYFCDQVGPYPJG-LLVKDONJSA-N 1 0 375.254 2.464 20 0 GEADRO COC[C@@]1(c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)CC[NH2+]C1 ZINC000823042689 653851390 /nfs/dbraw/zinc/85/13/90/653851390.db2.gz IPFVQBQQXSHRDA-MRXNPFEDSA-N 1 0 385.251 2.435 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)c2c[nH]nc2I)([NH+](C)C)C1 ZINC000895833638 653851702 /nfs/dbraw/zinc/85/17/02/653851702.db2.gz BNRAMPSSHXSYAU-IINYFYTJSA-N 1 0 390.269 2.255 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866939851 653852652 /nfs/dbraw/zinc/85/26/52/653852652.db2.gz DVTFEHFFVWIIAQ-IJLUTSLNSA-N 1 0 382.452 2.084 20 0 GEADRO CO[C@H](C[NH3+])Cc1nc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000823129163 653854698 /nfs/dbraw/zinc/85/46/98/653854698.db2.gz OGDVOIUKXGAWQO-ONGXEEELSA-N 1 0 387.267 2.313 20 0 GEADRO Brc1cccc(-c2nc(-c3noc(C[C@H]4CC[NH2+]C4)n3)n[nH]2)c1 ZINC000823185906 653856755 /nfs/dbraw/zinc/85/67/55/653856755.db2.gz WZLBQPNQTVKONG-SECBINFHSA-N 1 0 375.230 2.436 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)nc1Br ZINC000792952993 653857042 /nfs/dbraw/zinc/85/70/42/653857042.db2.gz LYLHJVJYZCXUEG-QWHCGFSZSA-N 1 0 397.317 2.470 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)nc1Br ZINC000792952561 653857116 /nfs/dbraw/zinc/85/71/16/653857116.db2.gz JLSFDFRAZKSRNC-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(Br)n2)c1 ZINC000792953784 653857378 /nfs/dbraw/zinc/85/73/78/653857378.db2.gz DYGULLIQCNKAAV-UHFFFAOYSA-N 1 0 391.269 2.161 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)nc1Br ZINC000792953583 653857407 /nfs/dbraw/zinc/85/74/07/653857407.db2.gz RLOZNJVEJJNOBP-AAEUAGOBSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000845666225 653857753 /nfs/dbraw/zinc/85/77/53/653857753.db2.gz QNMKXCBPHWNFBJ-ZDUSSCGKSA-N 1 0 386.901 2.376 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[NH+]1CCC(C)CC1 ZINC000792969225 653858180 /nfs/dbraw/zinc/85/81/80/653858180.db2.gz OTBNFXFFTFQTQZ-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[NH+]1CCC(C)CC1 ZINC000792969224 653858278 /nfs/dbraw/zinc/85/82/78/653858278.db2.gz OTBNFXFFTFQTQZ-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000845672395 653858394 /nfs/dbraw/zinc/85/83/94/653858394.db2.gz JZXXSFRZXDZVKQ-GJZGRUSLSA-N 1 0 386.539 2.319 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000895971730 653859421 /nfs/dbraw/zinc/85/94/21/653859421.db2.gz MUDPQEMSUAGVHA-BLLLJJGKSA-N 1 0 395.297 2.379 20 0 GEADRO O=C(NC1CC[NH2+]CC1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884005426 653859948 /nfs/dbraw/zinc/85/99/48/653859948.db2.gz HBHASTABQOUSMO-UHFFFAOYSA-N 1 0 384.665 2.165 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866985745 653860370 /nfs/dbraw/zinc/86/03/70/653860370.db2.gz LGZVJLNOOCFATO-JQWIXIFHSA-N 1 0 386.930 2.450 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)C[C@@H]1C ZINC000793005278 653861144 /nfs/dbraw/zinc/86/11/44/653861144.db2.gz QBDWKKFBHPNQOK-STQMWFEESA-N 1 0 397.317 2.422 20 0 GEADRO COCC[C@@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884054066 653861738 /nfs/dbraw/zinc/86/17/38/653861738.db2.gz PGQDTKOXAFHWLK-GFCCVEGCSA-N 1 0 381.782 2.120 20 0 GEADRO O=C(NCCc1ccc(Br)s1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884064902 653862138 /nfs/dbraw/zinc/86/21/38/653862138.db2.gz XIIQYVZMBIDWPZ-UHFFFAOYSA-N 1 0 395.326 2.288 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000866996080 653862506 /nfs/dbraw/zinc/86/25/06/653862506.db2.gz OXCLDLMLTCAVFV-SYQHCUMBSA-N 1 0 385.357 2.084 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000884094302 653863032 /nfs/dbraw/zinc/86/30/32/653863032.db2.gz HMAXICXWSPJSMF-IRXDYDNUSA-N 1 0 380.897 2.308 20 0 GEADRO CC(C)C(=O)N1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884096893 653863647 /nfs/dbraw/zinc/86/36/47/653863647.db2.gz MIVHEUMGSMGWLQ-OAHLLOKOSA-N 1 0 382.302 2.166 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)nc1Br ZINC000793046177 653864203 /nfs/dbraw/zinc/86/42/03/653864203.db2.gz IAXKQUKBKDPZGQ-STQMWFEESA-N 1 0 395.301 2.034 20 0 GEADRO C[C@@H]1[C@H](COC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@@H+]1C ZINC000845816264 653864646 /nfs/dbraw/zinc/86/46/46/653864646.db2.gz ROLYTRYJZXMDIC-PWSUYJOCSA-N 1 0 390.299 2.350 20 0 GEADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000896104378 653864855 /nfs/dbraw/zinc/86/48/55/653864855.db2.gz FIHYUIBTLXYBOT-ZBFHGGJFSA-N 1 0 393.281 2.227 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884132453 653865345 /nfs/dbraw/zinc/86/53/45/653865345.db2.gz QAFFWYXYSGUDMR-AWEZNQCLSA-N 1 0 396.329 2.159 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc(Br)cn3ccnc23)C[C@@H]1[NH+](C)C ZINC000867019834 653866772 /nfs/dbraw/zinc/86/67/72/653866772.db2.gz WLEYWQXAXPLQPG-STQMWFEESA-N 1 0 383.315 2.214 20 0 GEADRO CO[C@@H](C)c1noc(CN(C)C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884170471 653866844 /nfs/dbraw/zinc/86/68/44/653866844.db2.gz XUDSGGXOYCMATF-ZANVPECISA-N 1 0 383.246 2.198 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(Br)cc1 ZINC000884195138 653867417 /nfs/dbraw/zinc/86/74/17/653867417.db2.gz CSRPHWQPDCGWIO-CABCVRRESA-N 1 0 390.285 2.024 20 0 GEADRO [NH3+][C@H](C(=O)NCCc1cn2c(n1)CCCC2)c1ccc(Br)cc1 ZINC000884192679 653867610 /nfs/dbraw/zinc/86/76/10/653867610.db2.gz LIQAVLFKIZXZCN-INIZCTEOSA-N 1 0 377.286 2.341 20 0 GEADRO [NH3+][C@H](C(=O)N[C@H]1CCN(c2ncccc2F)C1)c1ccc(Br)cc1 ZINC000884230420 653868519 /nfs/dbraw/zinc/86/85/19/653868519.db2.gz RAXKQJHYLKAHMQ-ZFWWWQNUSA-N 1 0 393.260 2.378 20 0 GEADRO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCC2(C1)CC[NH2+]CC2 ZINC000884242635 653868879 /nfs/dbraw/zinc/86/88/79/653868879.db2.gz CVQCSVQEKXSCCT-OAHLLOKOSA-N 1 0 393.281 2.133 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884244442 653869406 /nfs/dbraw/zinc/86/94/06/653869406.db2.gz FFBPGFYRGKNDLX-ZJUUUORDSA-N 1 0 398.692 2.493 20 0 GEADRO C[C@H]([NH3+])CNC(=O)c1csc(I)c1Br ZINC000884274754 653869988 /nfs/dbraw/zinc/86/99/88/653869988.db2.gz UJPVWERSCYSYMY-BYPYZUCNSA-N 1 0 389.056 2.192 20 0 GEADRO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000884288083 653870608 /nfs/dbraw/zinc/87/06/08/653870608.db2.gz VBSUXSUVCANNHF-QAPCUYQASA-N 1 0 393.281 2.133 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884287264 653870740 /nfs/dbraw/zinc/87/07/40/653870740.db2.gz XBBDODUNMBEVJZ-ZFWWWQNUSA-N 1 0 381.270 2.261 20 0 GEADRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884319302 653871944 /nfs/dbraw/zinc/87/19/44/653871944.db2.gz RRMWJXUPRBKFET-INIZCTEOSA-N 1 0 398.345 2.266 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000884334983 653872829 /nfs/dbraw/zinc/87/28/29/653872829.db2.gz HMKROSOYEFFURB-GFCCVEGCSA-N 1 0 379.258 2.361 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000884335127 653873145 /nfs/dbraw/zinc/87/31/45/653873145.db2.gz LFQQIUZVIMWFCX-GFCCVEGCSA-N 1 0 379.258 2.361 20 0 GEADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000884355073 653874155 /nfs/dbraw/zinc/87/41/55/653874155.db2.gz FQECYEGWXAZKLM-MNOVXSKESA-N 1 0 380.176 2.425 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884371563 653874395 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C[C@@H](NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C1CC[NH2+]CC1 ZINC000884472279 653877864 /nfs/dbraw/zinc/87/78/64/653877864.db2.gz VSOZCAZGPXDIEM-BMIGLBTASA-N 1 0 381.270 2.035 20 0 GEADRO CCC1([NH+]2CCC2)CCN(Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000884474903 653878123 /nfs/dbraw/zinc/87/81/23/653878123.db2.gz PVKUNCXPYYAKPP-UHFFFAOYSA-N 1 0 383.587 2.418 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1 ZINC000823736053 653878146 /nfs/dbraw/zinc/87/81/46/653878146.db2.gz QLAODICQDLSYQE-UHFFFAOYSA-N 1 0 387.933 2.331 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000896430431 653879621 /nfs/dbraw/zinc/87/96/21/653879621.db2.gz XRZPYWCPTFGQGC-QWHCGFSZSA-N 1 0 388.990 2.303 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000846014757 653880487 /nfs/dbraw/zinc/88/04/87/653880487.db2.gz JEUOSAMEZMYLBV-UHFFFAOYSA-N 1 0 385.306 2.185 20 0 GEADRO COCC[N@H+](CCC(=O)OC)Cc1cccc(I)c1 ZINC000793592138 653880700 /nfs/dbraw/zinc/88/07/00/653880700.db2.gz 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C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000868003463 654013694 /nfs/dbraw/zinc/01/36/94/654013694.db2.gz GEQOUKVXJLAIBP-SNVBAGLBSA-N 1 0 388.331 2.087 20 0 GEADRO C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1CC[NH2+]CC1 ZINC000868005289 654013817 /nfs/dbraw/zinc/01/38/17/654013817.db2.gz LWTNXXGCICOGDE-OCCSQVGLSA-N 1 0 394.313 2.306 20 0 GEADRO C[C@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000868009671 654014167 /nfs/dbraw/zinc/01/41/67/654014167.db2.gz CERLLSNJDKLOKL-BLLLJJGKSA-N 1 0 381.929 2.359 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(Br)cn2)C[C@H](C)O1 ZINC000868022414 654014611 /nfs/dbraw/zinc/01/46/11/654014611.db2.gz MVUYHSOIKACZJR-STQMWFEESA-N 1 0 385.306 2.143 20 0 GEADRO O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000868035949 654015528 /nfs/dbraw/zinc/01/55/28/654015528.db2.gz XKNLGUMZQQSNOI-JSGCOSHPSA-N 1 0 376.400 2.194 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000887032747 654015686 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CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000849422953 654030884 /nfs/dbraw/zinc/03/08/84/654030884.db2.gz HDBHJJQIQUNSPQ-ZDUSSCGKSA-N 1 0 389.949 2.093 20 0 GEADRO COc1ccc(Br)c(Cn2cc(CN3CCC[C@H]([NH3+])C3)nn2)c1 ZINC000887444660 654034833 /nfs/dbraw/zinc/03/48/33/654034833.db2.gz NELWAKMWFDOHSE-ZDUSSCGKSA-N 1 0 380.290 2.021 20 0 GEADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3nc4cc(Br)ccc4o3)nn2)C1 ZINC000887447203 654035077 /nfs/dbraw/zinc/03/50/77/654035077.db2.gz WQGBRYJACJKRKS-GFCCVEGCSA-N 1 0 391.273 2.153 20 0 GEADRO O=S1(=O)CC[C@](O)(CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)C1 ZINC000899875118 654035502 /nfs/dbraw/zinc/03/55/02/654035502.db2.gz ROBTTZFABZHAAI-AWEZNQCLSA-N 1 0 376.356 2.095 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)CC2(O)CCCC2)nn1)c1ccc(Br)cc1 ZINC000887453645 654035503 /nfs/dbraw/zinc/03/55/03/654035503.db2.gz DZWNXFMSJIZCAL-HOCLYGCPSA-N 1 0 395.301 2.145 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(C)=C(Br)C2)CC1=O ZINC000797697580 654038424 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380.290 2.486 20 0 GEADRO CCCCNC(=O)Cc1noc(C[C@@H]([NH3+])Cc2ccc(Br)cc2)n1 ZINC000899994135 654046065 /nfs/dbraw/zinc/04/60/65/654046065.db2.gz VSWHUOJEGKDITL-AWEZNQCLSA-N 1 0 395.301 2.403 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)Br)[C@H](c2cnn(C)c2)C1 ZINC000849590856 654046627 /nfs/dbraw/zinc/04/66/27/654046627.db2.gz ALXPFEAZEQGYPV-OLZOCXBDSA-N 1 0 393.276 2.338 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)Br)[C@@H](c2cnn(C)c2)C1 ZINC000849590855 654046655 /nfs/dbraw/zinc/04/66/55/654046655.db2.gz ALXPFEAZEQGYPV-CHWSQXEVSA-N 1 0 393.276 2.338 20 0 GEADRO COc1ccc(Br)cc1[C@@H](N)c1nc(CC2CC[NH2+]CC2)no1 ZINC000900017914 654046826 /nfs/dbraw/zinc/04/68/26/654046826.db2.gz ZLSCUTXWPHNHEE-OAHLLOKOSA-N 1 0 381.274 2.431 20 0 GEADRO Cc1cc(C)c(CC(=O)NCCN2CC[NH+](C)CC2)c(C)c1Br ZINC000900042733 654047403 /nfs/dbraw/zinc/04/74/03/654047403.db2.gz BYWLVJXFNZAFCV-UHFFFAOYSA-N 1 0 382.346 2.280 20 0 GEADRO Cc1ccc([C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000797996857 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382.251 2.225 20 0 GEADRO C[C@H](CNC(=O)NCc1ccc(Br)cn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000868750150 654054452 /nfs/dbraw/zinc/05/44/52/654054452.db2.gz FEJYWDJDKRFUSU-UPJWGTAASA-N 1 0 385.306 2.141 20 0 GEADRO C[N@H+](CCO)CCNC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000887898850 654056280 /nfs/dbraw/zinc/05/62/80/654056280.db2.gz QPECDLOPIUVUPZ-UHFFFAOYSA-N 1 0 385.306 2.095 20 0 GEADRO O=C(NCCc1ccc(Br)cc1F)c1cn(C2CC[NH2+]CC2)nn1 ZINC000828982623 654056833 /nfs/dbraw/zinc/05/68/33/654056833.db2.gz IXWDTTJNZWWQRI-UHFFFAOYSA-N 1 0 396.264 2.077 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)NCCc1ccc(F)c(Br)c1 ZINC000900293554 654058211 /nfs/dbraw/zinc/05/82/11/654058211.db2.gz LPMIJWWSFPWKOR-UHFFFAOYSA-N 1 0 383.265 2.319 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000798319655 654058298 /nfs/dbraw/zinc/05/82/98/654058298.db2.gz JCIWETBFAKKEBW-CHWSQXEVSA-N 1 0 387.933 2.085 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000887925214 654058678 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DTNXDEPOCHHUSU-ZDUSSCGKSA-N 1 0 384.322 2.166 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cc3cccnc3cc2Br)C1 ZINC000901146581 654111741 /nfs/dbraw/zinc/11/17/41/654111741.db2.gz KMFJLOFQTCCQID-GOSISDBHSA-N 1 0 392.297 2.460 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000917052523 654112422 /nfs/dbraw/zinc/11/24/22/654112422.db2.gz TXYKPHKVSMDZCG-HUUCEWRRSA-N 1 0 380.432 2.143 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(I)n3)CC[C@@H]21 ZINC000830400823 654114961 /nfs/dbraw/zinc/11/49/61/654114961.db2.gz BZZXNHGYVXEKFK-KOLCDFICSA-N 1 0 391.278 2.304 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(C)cnc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000901213520 654115331 /nfs/dbraw/zinc/11/53/31/654115331.db2.gz VFZRWAZGLMNYLY-AWEZNQCLSA-N 1 0 387.933 2.015 20 0 GEADRO CN1CCN(C(=O)Cc2cc(Br)ccc2Cl)CC[N@H+](C)CC1 ZINC000888977874 654117484 /nfs/dbraw/zinc/11/74/84/654117484.db2.gz RLMHWHRNPMXRCV-UHFFFAOYSA-N 1 0 388.737 2.351 20 0 GEADRO CN1CCN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC[N@H+](C)CC1 ZINC000888979434 654117498 /nfs/dbraw/zinc/11/74/98/654117498.db2.gz SMZUOFOWXIRCCH-RCCFBDPRSA-N 1 0 392.341 2.041 20 0 GEADRO CN1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC[N@H+](C)CC1 ZINC000888978052 654117513 /nfs/dbraw/zinc/11/75/13/654117513.db2.gz VHLOCJWFERDKIE-FGTMMUONSA-N 1 0 392.341 2.041 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000830434199 654117689 /nfs/dbraw/zinc/11/76/89/654117689.db2.gz HZGVMVJUQMDXQV-VIFPVBQESA-N 1 0 382.711 2.118 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1cnc(Cl)c(Br)c1 ZINC000830433635 654117901 /nfs/dbraw/zinc/11/79/01/654117901.db2.gz DGBUMPVUPMQLJJ-JTQLQIEISA-N 1 0 394.722 2.260 20 0 GEADRO CN1CCN(C(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC[N@H+](C)CC1 ZINC000888986916 654118561 /nfs/dbraw/zinc/11/85/61/654118561.db2.gz ZFVCBNFFRMKDBP-UHFFFAOYSA-N 1 0 378.826 2.002 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cn(-c2ccccc2Br)nn1 ZINC000917293416 654118790 /nfs/dbraw/zinc/11/87/90/654118790.db2.gz XWOCBUBJMQWLOK-CHWSQXEVSA-N 1 0 390.285 2.386 20 0 GEADRO C[NH+](C)CCCNC(=S)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000799909244 654119686 /nfs/dbraw/zinc/11/96/86/654119686.db2.gz CZLQGVFLFGOINQ-LBPRGKRZSA-N 1 0 376.295 2.438 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000799943910 654121888 /nfs/dbraw/zinc/12/18/88/654121888.db2.gz MLDQECXRBALWFC-XFJVYGCCSA-N 1 0 382.302 2.407 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000917536671 654127099 /nfs/dbraw/zinc/12/70/99/654127099.db2.gz QEEOTHAQFPEOQS-UHFFFAOYSA-N 1 0 378.897 2.134 20 0 GEADRO CC(C)C[C@H](C[NH+](C)C)NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000917579207 654128562 /nfs/dbraw/zinc/12/85/62/654128562.db2.gz AXSOCRYGUTVVNT-OAHLLOKOSA-N 1 0 386.587 2.200 20 0 GEADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000917641073 654129372 /nfs/dbraw/zinc/12/93/72/654129372.db2.gz VXUVCINXPHAUEY-CQSZACIVSA-N 1 0 386.323 2.208 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889204016 654130995 /nfs/dbraw/zinc/13/09/95/654130995.db2.gz NCFSFQLQUVOQAI-SECBINFHSA-N 1 0 385.818 2.307 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000889218867 654132985 /nfs/dbraw/zinc/13/29/85/654132985.db2.gz YWWKVGYVHPJMID-INIZCTEOSA-N 1 0 385.277 2.492 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000889222936 654132991 /nfs/dbraw/zinc/13/29/91/654132991.db2.gz GXTBZKMUKUTLLA-UHFFFAOYSA-N 1 0 379.258 2.341 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)c2csc(I)n2)CC1 ZINC000889221732 654133105 /nfs/dbraw/zinc/13/31/05/654133105.db2.gz PXWVVHFSPPBCAD-UHFFFAOYSA-N 1 0 377.251 2.058 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)OCCC[NH+]2CCCC2)c1 ZINC000800162699 654134330 /nfs/dbraw/zinc/13/43/30/654134330.db2.gz JZLIBIFXTSEITN-UHFFFAOYSA-N 1 0 390.299 2.495 20 0 GEADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000917846292 654135429 /nfs/dbraw/zinc/13/54/29/654135429.db2.gz WAKWTPGIECMQOF-UHFFFAOYSA-N 1 0 381.420 2.054 20 0 GEADRO Cc1c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000800308983 654140177 /nfs/dbraw/zinc/14/01/77/654140177.db2.gz AJCJLXNLPOTDAO-KGLIPLIRSA-N 1 0 382.555 2.424 20 0 GEADRO Cn1cc([C@]2(C[NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)CCCO2)cn1 ZINC000901686829 654140332 /nfs/dbraw/zinc/14/03/32/654140332.db2.gz VHXIYGHWTXDFNB-NVXWUHKLSA-N 1 0 393.285 2.005 20 0 GEADRO COc1ccc2c(c1)CCC(S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1)=C2 ZINC000830778628 654141786 /nfs/dbraw/zinc/14/17/86/654141786.db2.gz LSDFHDUITISXRG-GOSISDBHSA-N 1 0 382.551 2.339 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NCc1ccccc1F ZINC000901728902 654144093 /nfs/dbraw/zinc/14/40/93/654144093.db2.gz OUDPVNZWDSVJJT-YPMHNXCESA-N 1 0 395.276 2.394 20 0 GEADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901731207 654144407 /nfs/dbraw/zinc/14/44/07/654144407.db2.gz ZBTXSOSCJADANJ-QWHCGFSZSA-N 1 0 397.704 2.300 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@H](O)c2cccc(Br)c2)n1 ZINC000800543579 654148501 /nfs/dbraw/zinc/14/85/01/654148501.db2.gz DKSHDPYWGNWEIX-AWEZNQCLSA-N 1 0 396.289 2.062 20 0 GEADRO Cn1nc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1Br ZINC000830914512 654149518 /nfs/dbraw/zinc/14/95/18/654149518.db2.gz ULSAMPHFQFQYSU-GASCZTMLSA-N 1 0 389.297 2.387 20 0 GEADRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3cscc3Br)C[C@]2(C)C1 ZINC000918368382 654149702 /nfs/dbraw/zinc/14/97/02/654149702.db2.gz IJIVAAKASPMGFL-BETUJISGSA-N 1 0 379.345 2.473 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000918699662 654158572 /nfs/dbraw/zinc/15/85/72/654158572.db2.gz VFVAXMVDNTYQID-DYLGSBMWSA-N 1 0 384.318 2.445 20 0 GEADRO CC(=O)NCCN(Cc1ccc(C)s1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000800820013 654158941 /nfs/dbraw/zinc/15/89/41/654158941.db2.gz WUIILRLOYXDQKB-UHFFFAOYSA-N 1 0 384.615 2.457 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000918745525 654161411 /nfs/dbraw/zinc/16/14/11/654161411.db2.gz GKPILLYRQRVUSZ-LBPRGKRZSA-N 1 0 387.571 2.486 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(C)nn(C)c2Br)C1 ZINC000800904068 654164741 /nfs/dbraw/zinc/16/47/41/654164741.db2.gz ASDWZGFDNSNGAA-ZDUSSCGKSA-N 1 0 387.322 2.064 20 0 GEADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000800905401 654165143 /nfs/dbraw/zinc/16/51/43/654165143.db2.gz XGTPIQCKNSBWKB-UONOGXRCSA-N 1 0 378.416 2.155 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)cc1Cl ZINC000918905951 654165155 /nfs/dbraw/zinc/16/51/55/654165155.db2.gz JRDGNIATZBWMGX-UHFFFAOYSA-N 1 0 383.857 2.081 20 0 GEADRO Cc1cccc(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000889744596 654165785 /nfs/dbraw/zinc/16/57/85/654165785.db2.gz NTFLNZQSOFAXKO-CVEARBPZSA-N 1 0 381.314 2.358 20 0 GEADRO COc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889744819 654165898 /nfs/dbraw/zinc/16/58/98/654165898.db2.gz PLRKWVDNLRUZGO-LSDHHAIUSA-N 1 0 383.286 2.129 20 0 GEADRO Cc1cc(Br)c(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)s1 ZINC000889742228 654165911 /nfs/dbraw/zinc/16/59/11/654165911.db2.gz IFZQZDCQLUWINT-KGLIPLIRSA-N 1 0 387.343 2.419 20 0 GEADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851635475 654166618 /nfs/dbraw/zinc/16/66/18/654166618.db2.gz LOTUPDMJEACQAL-QGZVFWFLSA-N 1 0 381.270 2.436 20 0 GEADRO O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851635808 654166772 /nfs/dbraw/zinc/16/67/72/654166772.db2.gz NDKLWMUGWNNUBM-OAHLLOKOSA-N 1 0 376.400 2.196 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)C[C@@H]21 ZINC000851636221 654167056 /nfs/dbraw/zinc/16/70/56/654167056.db2.gz UOUIMHJXEQMURD-KWCYVHTRSA-N 1 0 376.400 2.180 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000851640709 654167604 /nfs/dbraw/zinc/16/76/04/654167604.db2.gz CCVUNGRGWDVISW-CYBMUJFWSA-N 1 0 376.400 2.385 20 0 GEADRO CC(C)(C)n1ncc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000889752158 654167837 /nfs/dbraw/zinc/16/78/37/654167837.db2.gz WKPKYDMDPPSAMN-KGLIPLIRSA-N 1 0 399.333 2.072 20 0 GEADRO CC(C)(C)n1ncc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1Br ZINC000889752160 654167851 /nfs/dbraw/zinc/16/78/51/654167851.db2.gz WKPKYDMDPPSAMN-ZIAGYGMSSA-N 1 0 399.333 2.072 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889756008 654168267 /nfs/dbraw/zinc/16/82/67/654168267.db2.gz LPXQTZKSQYABSP-CVEARBPZSA-N 1 0 397.313 2.437 20 0 GEADRO O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889755997 654168349 /nfs/dbraw/zinc/16/83/49/654168349.db2.gz LIIGIMZBRTXHDG-GJZGRUSLSA-N 1 0 383.279 2.312 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756010 654168403 /nfs/dbraw/zinc/16/84/03/654168403.db2.gz LPXQTZKSQYABSP-HZPDHXFCSA-N 1 0 397.313 2.437 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851669024 654168581 /nfs/dbraw/zinc/16/85/81/654168581.db2.gz VKAGICFLQOPLEK-CKEKPRIKSA-N 1 0 383.128 2.260 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889757374 654168964 /nfs/dbraw/zinc/16/89/64/654168964.db2.gz UUACMDHWVCVAPT-VXGBXAGGSA-N 1 0 391.509 2.366 20 0 GEADRO NC(=NOCC1(Br)CC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000902238222 654169163 /nfs/dbraw/zinc/16/91/63/654169163.db2.gz MFWIUXKUTISQOM-UHFFFAOYSA-N 1 0 382.302 2.417 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccsc3Br)CC[C@@H]21 ZINC000919103577 654170613 /nfs/dbraw/zinc/17/06/13/654170613.db2.gz KIOCGAQOJQTGFH-PWSUYJOCSA-N 1 0 379.345 2.366 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3cccc(F)c3Br)CC[C@@H]21 ZINC000919102652 654170664 /nfs/dbraw/zinc/17/06/64/654170664.db2.gz BVLLAMISBLIGDK-RISCZKNCSA-N 1 0 391.306 2.444 20 0 GEADRO O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889765420 654170810 /nfs/dbraw/zinc/17/08/10/654170810.db2.gz YHEBWJSANQYINV-NEPJUHHUSA-N 1 0 377.794 2.425 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)Cc3ccsc3Br)CC[C@@H]21 ZINC000919103576 654170834 /nfs/dbraw/zinc/17/08/34/654170834.db2.gz KIOCGAQOJQTGFH-JQWIXIFHSA-N 1 0 379.345 2.366 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889776339 654171628 /nfs/dbraw/zinc/17/16/28/654171628.db2.gz ZQHJODBVNWRISQ-HOTGVXAUSA-N 1 0 385.277 2.188 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000889783567 654172446 /nfs/dbraw/zinc/17/24/46/654172446.db2.gz YTRGBTYKQRPYPH-HZPDHXFCSA-N 1 0 383.286 2.129 20 0 GEADRO O=C(CCc1cccc(Br)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889783622 654172950 /nfs/dbraw/zinc/17/29/50/654172950.db2.gz ZFOITKZYHOYQKL-IAGOWNOFSA-N 1 0 381.314 2.439 20 0 GEADRO O=C(Nc1cccc(F)c1Br)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000889806687 654174718 /nfs/dbraw/zinc/17/47/18/654174718.db2.gz LUQVANAZPZQSHH-AAEUAGOBSA-N 1 0 384.249 2.270 20 0 GEADRO [NH3+]CCCCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000831281560 654176433 /nfs/dbraw/zinc/17/64/33/654176433.db2.gz UQQPFGOLNHFWIO-HNNXBMFYSA-N 1 0 397.317 2.151 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000801087933 654176929 /nfs/dbraw/zinc/17/69/29/654176929.db2.gz XKXGOADVWTVHRF-UHFFFAOYSA-N 1 0 395.301 2.361 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000801090482 654177346 /nfs/dbraw/zinc/17/73/46/654177346.db2.gz GEJVQVNMWSJONW-UHFFFAOYSA-N 1 0 399.333 2.066 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000801137215 654178700 /nfs/dbraw/zinc/17/87/00/654178700.db2.gz HXQCIPJVCWYDMY-AWEZNQCLSA-N 1 0 379.302 2.394 20 0 GEADRO CC[NH+]1CCC(NC(=O)Cn2nc(-c3ccc(Cl)s3)ccc2=O)CC1 ZINC000902473693 654179435 /nfs/dbraw/zinc/17/94/35/654179435.db2.gz FNVDVGUJJBCOQB-UHFFFAOYSA-N 1 0 380.901 2.226 20 0 GEADRO C[C@H]1C[C@@H](C(=O)N(C)[C@H](C(N)=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000889850964 654182912 /nfs/dbraw/zinc/18/29/12/654182912.db2.gz CKRRNTILKQUJPI-WHOFXGATSA-N 1 0 382.302 2.164 20 0 GEADRO C[NH+]1CCN(c2ccnc(NC(=O)c3nc(F)ccc3Br)c2)CC1 ZINC000870665147 654187306 /nfs/dbraw/zinc/18/73/06/654187306.db2.gz JWEZSKOVZVDZNW-UHFFFAOYSA-N 1 0 394.248 2.382 20 0 GEADRO C[NH+]1CCN(c2ccnc(NC(=O)c3scnc3Br)c2)CC1 ZINC000870667132 654187495 /nfs/dbraw/zinc/18/74/95/654187495.db2.gz RZRXFNXRTWWFLE-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(Br)n(C)n2)cc1 ZINC000831572888 654192223 /nfs/dbraw/zinc/19/22/23/654192223.db2.gz WYPDOXWKDPSTHQ-CQSZACIVSA-N 1 0 381.274 2.224 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(F)c3Br)CC[C@@H]21 ZINC000890019443 654192981 /nfs/dbraw/zinc/19/29/81/654192981.db2.gz UCPOPTIWPBBSGC-FZMZJTMJSA-N 1 0 398.276 2.469 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000890063235 654195635 /nfs/dbraw/zinc/19/56/35/654195635.db2.gz DHNYOQVPHKYZNG-GFCCVEGCSA-N 1 0 376.320 2.109 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(Cc2cccnc2)CC1)c1cccc(Br)c1 ZINC000870860123 654200652 /nfs/dbraw/zinc/20/06/52/654200652.db2.gz QWIOJTNPMKGTJO-KRWDZBQOSA-N 1 0 389.297 2.188 20 0 GEADRO Cc1cccc(OC[C@@H](O)CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)c1 ZINC000870873825 654201565 /nfs/dbraw/zinc/20/15/65/654201565.db2.gz STPZKTYQFCEOKZ-DOTOQJQBSA-N 1 0 393.281 2.313 20 0 GEADRO CC[C@H](C(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1)[NH+](C)C ZINC000890200404 654206377 /nfs/dbraw/zinc/20/63/77/654206377.db2.gz NOGCUSPXFVJXIT-MRVPVSSYSA-N 1 0 383.212 2.347 20 0 GEADRO C[NH+]1CCC(C(=O)N2CCn3c(c(Br)nc3C(F)(F)F)C2)CC1 ZINC000890200734 654206802 /nfs/dbraw/zinc/20/68/02/654206802.db2.gz ZSHNNXOKRXLJTA-UHFFFAOYSA-N 1 0 395.223 2.348 20 0 GEADRO Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1C ZINC000920265720 654206922 /nfs/dbraw/zinc/20/69/22/654206922.db2.gz JAWIAEWZRPBLQP-JOCBIADPSA-N 1 0 386.583 2.431 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc(Cl)cc1F ZINC000902981287 654207208 /nfs/dbraw/zinc/20/72/08/654207208.db2.gz KVPRRTSTCGSQEJ-MISOGJRXSA-N 1 0 388.892 2.161 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000870914465 654207325 /nfs/dbraw/zinc/20/73/25/654207325.db2.gz NUQXRIQSCVUQRV-MFKMUULPSA-N 1 0 386.233 2.124 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2sc(N3CCCC3)nc2Cl)C1 ZINC000920268527 654207336 /nfs/dbraw/zinc/20/73/36/654207336.db2.gz NPIYWUILUPGPRR-ZDUSSCGKSA-N 1 0 386.949 2.483 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000870912333 654207369 /nfs/dbraw/zinc/20/73/69/654207369.db2.gz DHBPFTNAFWPMQI-OAHLLOKOSA-N 1 0 386.233 2.125 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000920272960 654207472 /nfs/dbraw/zinc/20/74/72/654207472.db2.gz ADIVRSRIKRAFTM-JOCBIADPSA-N 1 0 386.945 2.406 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890202799 654208057 /nfs/dbraw/zinc/20/80/57/654208057.db2.gz RCLTYIYTGLZDHC-SECBINFHSA-N 1 0 395.223 2.491 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)C2=O)ccc1Br ZINC000870926974 654208226 /nfs/dbraw/zinc/20/82/26/654208226.db2.gz IKSVLBVTEWRIKB-XHUUTOEUSA-N 1 0 392.297 2.106 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C2 ZINC000920282596 654209177 /nfs/dbraw/zinc/20/91/77/654209177.db2.gz RUEFGZQTXGWCHU-TXCZRRACSA-N 1 0 390.908 2.237 20 0 GEADRO CC(C)n1ncc(C(=O)NC2CCC([NH3+])CC2)c1I ZINC000870934083 654209338 /nfs/dbraw/zinc/20/93/38/654209338.db2.gz DZIASGADMLYQJE-UHFFFAOYSA-N 1 0 376.242 2.068 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)c1cccc(Br)c1 ZINC000870934969 654209374 /nfs/dbraw/zinc/20/93/74/654209374.db2.gz INLHKXLDPMETKK-BZNIZROVSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)[N@H+](CCn1cnc(Br)n1)C[C@H](O)COc1ccccc1 ZINC000851991605 654211127 /nfs/dbraw/zinc/21/11/27/654211127.db2.gz RWJKIXDNEZQKRU-AWEZNQCLSA-N 1 0 383.290 2.191 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903029548 654211050 /nfs/dbraw/zinc/21/10/50/654211050.db2.gz AUGMSMACLJTISX-CABCVRRESA-N 1 0 393.285 2.165 20 0 GEADRO O=S(=O)(N[C@H]1CCCN(CCCO)C1)c1ccc(SC(F)(F)F)cc1 ZINC000831810168 654211303 /nfs/dbraw/zinc/21/13/03/654211303.db2.gz IICQMLKJUHFIDX-LBPRGKRZSA-N 1 0 398.472 2.424 20 0 GEADRO O=S(=O)(N[C@@H]1CCCN(CCCO)C1)c1ccc(SC(F)(F)F)cc1 ZINC000831810167 654211360 /nfs/dbraw/zinc/21/13/60/654211360.db2.gz IICQMLKJUHFIDX-GFCCVEGCSA-N 1 0 398.472 2.424 20 0 GEADRO C[NH+]1CCC(NC(=S)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000920389579 654211504 /nfs/dbraw/zinc/21/15/04/654211504.db2.gz OWWDTUWENJMISE-LBPRGKRZSA-N 1 0 392.352 2.291 20 0 GEADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCn2cnc(Br)n2)cc1 ZINC000852021948 654213787 /nfs/dbraw/zinc/21/37/87/654213787.db2.gz HAYNMRQMZXIPCA-LLVKDONJSA-N 1 0 387.303 2.185 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000852025168 654214129 /nfs/dbraw/zinc/21/41/29/654214129.db2.gz XDHSRRLENVVIRK-RUZDIDTESA-N 1 0 383.480 2.251 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000870995420 654215184 /nfs/dbraw/zinc/21/51/84/654215184.db2.gz LXAWIGJOIMMYEP-SFHVURJKSA-N 1 0 396.329 2.402 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000870990825 654215225 /nfs/dbraw/zinc/21/52/25/654215225.db2.gz BRZYRSOWGGDSIX-GOSISDBHSA-N 1 0 396.329 2.402 20 0 GEADRO O=C(NCCC[NH2+][C@H]1CCO[C@@]12CCOC2)c1cccc(Br)c1 ZINC000903086395 654215449 /nfs/dbraw/zinc/21/54/49/654215449.db2.gz OBFCWRVJNLJWHS-DOTOQJQBSA-N 1 0 383.286 2.107 20 0 GEADRO Nc1n[nH]c(C2CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)n1 ZINC000852056793 654215451 /nfs/dbraw/zinc/21/54/51/654215451.db2.gz KEUOINBRSRDFOE-GFCCVEGCSA-N 1 0 386.283 2.313 20 0 GEADRO COC[C@H](NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000871009293 654216207 /nfs/dbraw/zinc/21/62/07/654216207.db2.gz LPAYIBZWQOKISO-WFASDCNBSA-N 1 0 393.285 2.367 20 0 GEADRO CN(Cc1ncc(Br)cn1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000920591210 654216488 /nfs/dbraw/zinc/21/64/88/654216488.db2.gz KDFBDCWWVYLCKT-UHFFFAOYSA-N 1 0 399.314 2.121 20 0 GEADRO O=C1C[C@H](C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)CN1 ZINC000852089554 654217204 /nfs/dbraw/zinc/21/72/04/654217204.db2.gz UIEIZMZHBNQTLN-LBPRGKRZSA-N 1 0 385.277 2.406 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCn2ncc(Br)c2C1 ZINC000852108840 654218537 /nfs/dbraw/zinc/21/85/37/654218537.db2.gz NXAIMLFWTFXYNX-ZDUSSCGKSA-N 1 0 384.322 2.435 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(F)c3Br)CC[C@@H]21 ZINC000890429951 654219480 /nfs/dbraw/zinc/21/94/80/654219480.db2.gz JYTDNSWRVAQBJC-MFKMUULPSA-N 1 0 384.249 2.079 20 0 GEADRO C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000903156234 654222449 /nfs/dbraw/zinc/22/24/49/654222449.db2.gz QRAWUONHJSCCHT-TUBUQKNSSA-N 1 0 388.555 2.312 20 0 GEADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000903172795 654224083 /nfs/dbraw/zinc/22/40/83/654224083.db2.gz FHATYGPRBFHIPB-HUUCEWRRSA-N 1 0 380.432 2.278 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000852189483 654224594 /nfs/dbraw/zinc/22/45/94/654224594.db2.gz IXXZAHBRYCZROU-UHFFFAOYSA-N 1 0 384.322 2.293 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCO[C@]23CCOC3)cc1Br ZINC000903187175 654224949 /nfs/dbraw/zinc/22/49/49/654224949.db2.gz RHBHIZVKSQYNST-SZMVWBNQSA-N 1 0 384.314 2.446 20 0 GEADRO Cc1c(Cl)c(C(=O)NC2CCC(C)([NH+](C)C)CC2)sc1S(N)(=O)=O ZINC000871360831 654228779 /nfs/dbraw/zinc/22/87/79/654228779.db2.gz YCKOQGUVKPOZKW-UHFFFAOYSA-N 1 0 393.962 2.350 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000871356000 654228892 /nfs/dbraw/zinc/22/88/92/654228892.db2.gz YGXLTIYCTJIOQV-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO CC1(C)[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)C[C@@H]1OCc1ccccc1 ZINC000903228289 654229371 /nfs/dbraw/zinc/22/93/71/654229371.db2.gz YDTKQCIDLPSWMC-HOTGVXAUSA-N 1 0 388.555 2.017 20 0 GEADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCn2ncc(Br)c2C1 ZINC000852280820 654229540 /nfs/dbraw/zinc/22/95/40/654229540.db2.gz LRVAHJSPYIMUGT-CYBMUJFWSA-N 1 0 382.306 2.188 20 0 GEADRO COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000802469606 654230819 /nfs/dbraw/zinc/23/08/19/654230819.db2.gz PUACNFAIFAGZPN-UHFFFAOYSA-N 1 0 397.321 2.213 20 0 GEADRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ncc(Br)cn1 ZINC000903320170 654233865 /nfs/dbraw/zinc/23/38/65/654233865.db2.gz DRFOHHBPYGXAHA-NSHDSACASA-N 1 0 389.253 2.404 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903318881 654233912 /nfs/dbraw/zinc/23/39/12/654233912.db2.gz RYOZYDKWILRTCZ-ZFZWDLNGSA-N 1 0 386.539 2.251 20 0 GEADRO CO[C@]1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CCS(=O)(=O)C1 ZINC000903367439 654236716 /nfs/dbraw/zinc/23/67/16/654236716.db2.gz YLTJNHVXHBNFMU-BCLQGDPASA-N 1 0 388.327 2.488 20 0 GEADRO COc1cc(OC)c([C@H](C)[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)cc1Cl ZINC000903369446 654237063 /nfs/dbraw/zinc/23/70/63/654237063.db2.gz XLMFVRXZQQGWDU-ZBEGNZNMSA-N 1 0 377.890 2.212 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)CCS2(=O)=O ZINC000903451294 654239472 /nfs/dbraw/zinc/23/94/72/654239472.db2.gz DZSJQMRSPOHZPQ-MZYOMISDSA-N 1 0 386.901 2.285 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)CCS2(=O)=O ZINC000903453385 654239986 /nfs/dbraw/zinc/23/99/86/654239986.db2.gz YFHLROYWIXWTQY-MZYOMISDSA-N 1 0 386.901 2.285 20 0 GEADRO COC(=O)c1cncc([C@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000903479165 654240373 /nfs/dbraw/zinc/24/03/73/654240373.db2.gz JQXSQOUZLFLLFY-GWCFXTLKSA-N 1 0 379.258 2.493 20 0 GEADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ncc(Br)cc1Cl)C2 ZINC000903493867 654241593 /nfs/dbraw/zinc/24/15/93/654241593.db2.gz YIGFFDPRLCDOAY-ISOBSLSZSA-N 1 0 388.693 2.210 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1 ZINC000852458636 654241808 /nfs/dbraw/zinc/24/18/08/654241808.db2.gz JHRVSOFZMVOJKZ-RUZDIDTESA-N 1 0 379.448 2.249 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC000832170768 654242001 /nfs/dbraw/zinc/24/20/01/654242001.db2.gz UIYCQPIFRJPGPZ-ZDUSSCGKSA-N 1 0 376.469 2.462 20 0 GEADRO CS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472810 654243816 /nfs/dbraw/zinc/24/38/16/654243816.db2.gz GMCFTUFBLOWANN-ZIAGYGMSSA-N 1 0 384.464 2.077 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000903511117 654243956 /nfs/dbraw/zinc/24/39/56/654243956.db2.gz PFWSJYCRXSUFMF-LLVKDONJSA-N 1 0 379.295 2.349 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1F ZINC000903510818 654244083 /nfs/dbraw/zinc/24/40/83/654244083.db2.gz LCRIJIVLFIKAEW-GXSJLCMTSA-N 1 0 395.294 2.487 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903513197 654244422 /nfs/dbraw/zinc/24/44/22/654244422.db2.gz XGAZZLUYHQPTFC-JLLWLGSASA-N 1 0 381.192 2.485 20 0 GEADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(CCn2cnc(Br)n2)C1 ZINC000852515402 654245335 /nfs/dbraw/zinc/24/53/35/654245335.db2.gz VMPLRHOKTHCYDS-MRXNPFEDSA-N 1 0 378.318 2.289 20 0 GEADRO Ic1cnnn1C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000852533032 654246528 /nfs/dbraw/zinc/24/65/28/654246528.db2.gz RRCWKGRXZPGAHM-ZDUSSCGKSA-N 1 0 390.269 2.479 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC000890879803 654246709 /nfs/dbraw/zinc/24/67/09/654246709.db2.gz FTTISZWBJCWHCR-UHFFFAOYSA-N 1 0 376.469 2.272 20 0 GEADRO C[C@@H](NC(=O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000903518290 654246808 /nfs/dbraw/zinc/24/68/08/654246808.db2.gz JDBSYGBHGJRXIW-OASPWFOLSA-N 1 0 394.235 2.448 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)CC(C)(C)C[NH+](C)C)ccc1Cl ZINC000890887473 654246951 /nfs/dbraw/zinc/24/69/51/654246951.db2.gz NMAPOKIYYWMOKT-UHFFFAOYSA-N 1 0 389.949 2.250 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1F ZINC000903519006 654247155 /nfs/dbraw/zinc/24/71/55/654247155.db2.gz USGFSABVDZWCKY-SNVBAGLBSA-N 1 0 395.294 2.346 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1F ZINC000903522111 654248653 /nfs/dbraw/zinc/24/86/53/654248653.db2.gz LLJUDGFJDBNDGW-ZJUUUORDSA-N 1 0 395.294 2.202 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1F ZINC000903525612 654249424 /nfs/dbraw/zinc/24/94/24/654249424.db2.gz XPKGFYRVIDZIQE-XPTSAGLGSA-N 1 0 393.278 2.099 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1F ZINC000903525610 654249485 /nfs/dbraw/zinc/24/94/85/654249485.db2.gz XPKGFYRVIDZIQE-LKFCYVNXSA-N 1 0 393.278 2.099 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000903525798 654249988 /nfs/dbraw/zinc/24/99/88/654249988.db2.gz QQECBESXWJOWAE-BXUZGUMPSA-N 1 0 391.306 2.492 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000903544956 654253327 /nfs/dbraw/zinc/25/33/27/654253327.db2.gz PICMZRWVDNIPHY-LBPRGKRZSA-N 1 0 379.309 2.430 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000903546869 654253376 /nfs/dbraw/zinc/25/33/76/654253376.db2.gz BPTNDVIHKFPVOV-CYBMUJFWSA-N 1 0 378.416 2.142 20 0 GEADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NCC1SCCS1 ZINC000852665842 654253591 /nfs/dbraw/zinc/25/35/91/654253591.db2.gz XWTMQYXWJAFURC-UHFFFAOYSA-N 1 0 381.567 2.249 20 0 GEADRO Cc1ccc(Br)c(CS(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903548861 654254180 /nfs/dbraw/zinc/25/41/80/654254180.db2.gz IYCBQYRAECNVJV-CHWSQXEVSA-N 1 0 375.332 2.423 20 0 GEADRO C[C@]12CCN(C(=O)c3c[nH+]ccc3N)C[C@H]1C2(Br)Br ZINC000852901560 654266554 /nfs/dbraw/zinc/26/65/54/654266554.db2.gz KNNGIYPUDNYPCN-PWSUYJOCSA-N 1 0 389.091 2.462 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1OC ZINC000903550774 654254391 /nfs/dbraw/zinc/25/43/91/654254391.db2.gz MRMXHZVUEUJZKH-CXAGYDPISA-N 1 0 382.869 2.260 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903549976 654254464 /nfs/dbraw/zinc/25/44/64/654254464.db2.gz VBGIVPGEDZHDNT-UHFFFAOYSA-N 1 0 376.881 2.153 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903554691 654254751 /nfs/dbraw/zinc/25/47/51/654254751.db2.gz VAPFAAZTZHUJFV-NHYWBVRUSA-N 1 0 376.906 2.030 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1F ZINC000903557824 654255804 /nfs/dbraw/zinc/25/58/04/654255804.db2.gz RNQHBAUYHWMSKH-NXEZZACHSA-N 1 0 395.294 2.202 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC000832264497 654256032 /nfs/dbraw/zinc/25/60/32/654256032.db2.gz BULXYSVURFRCQG-CYBMUJFWSA-N 1 0 376.469 2.462 20 0 GEADRO Cn1cc(S(=O)(=O)NCCCCCC2CC[NH2+]CC2)c(Br)n1 ZINC000903562074 654256508 /nfs/dbraw/zinc/25/65/08/654256508.db2.gz WSOSZKAFRHMHLQ-UHFFFAOYSA-N 1 0 393.351 2.021 20 0 GEADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H]1c1ncc(Br)cn1 ZINC000903566135 654257155 /nfs/dbraw/zinc/25/71/55/654257155.db2.gz JJNYEYLEHGWADA-BBWFWOEESA-N 1 0 391.313 2.307 20 0 GEADRO Cc1nc(C)c(S(=O)(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903573422 654258776 /nfs/dbraw/zinc/25/87/76/654258776.db2.gz IHURCOUHNXSKDV-WMLDXEAASA-N 1 0 379.507 2.294 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cncc(Cl)c1 ZINC000903574300 654259227 /nfs/dbraw/zinc/25/92/27/654259227.db2.gz PJDHORPQKHEYDK-NVXWUHKLSA-N 1 0 379.869 2.269 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000903578084 654260782 /nfs/dbraw/zinc/26/07/82/654260782.db2.gz BIPIEJRLGSYORD-WCBMZHEXSA-N 1 0 392.321 2.327 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CC[C@]4(CCC[NH2+]4)C3)cc2N1 ZINC000871804952 654261171 /nfs/dbraw/zinc/26/11/71/654261171.db2.gz JHTYHWBVDKNEMR-QGZVFWFLSA-N 1 0 383.901 2.131 20 0 GEADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871807129 654261516 /nfs/dbraw/zinc/26/15/16/654261516.db2.gz QCHPLQVPDQTJJZ-UHFFFAOYSA-N 1 0 383.901 2.259 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)cc2N1 ZINC000871806722 654261544 /nfs/dbraw/zinc/26/15/44/654261544.db2.gz MPDKPRANULXYBT-UKRRQHHQSA-N 1 0 383.901 2.130 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)cc2N1 ZINC000871806721 654261592 /nfs/dbraw/zinc/26/15/92/654261592.db2.gz MPDKPRANULXYBT-HIFRSBDPSA-N 1 0 383.901 2.130 20 0 GEADRO CCOc1cc(Br)c(NC(=O)C2=NO[C@H](C[NH3+])C2)cc1OCC ZINC000852819235 654261852 /nfs/dbraw/zinc/26/18/52/654261852.db2.gz CBKMKYTWVRJFLY-VIFPVBQESA-N 1 0 386.246 2.289 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c32)CC[C@@H]1C(F)(F)F ZINC000903580708 654261705 /nfs/dbraw/zinc/26/17/05/654261705.db2.gz XXWMJFRUEOEFSR-CBAPKCEASA-N 1 0 382.795 2.117 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903580545 654261811 /nfs/dbraw/zinc/26/18/11/654261811.db2.gz VPDTVDMSDDJPTC-PWSUYJOCSA-N 1 0 384.807 2.443 20 0 GEADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C(F)(F)F)s1 ZINC000871809336 654261959 /nfs/dbraw/zinc/26/19/59/654261959.db2.gz ABRGEPJPZRERDM-JTQLQIEISA-N 1 0 384.445 2.204 20 0 GEADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C(F)(F)F)c1 ZINC000871809922 654261982 /nfs/dbraw/zinc/26/19/82/654261982.db2.gz ISISTQOCHYOLRM-ZDUSSCGKSA-N 1 0 378.416 2.142 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC[C@@H]1C(F)(F)F ZINC000903581612 654262093 /nfs/dbraw/zinc/26/20/93/654262093.db2.gz NXLWEGBXSYTNRO-JGVFFNPUSA-N 1 0 378.203 2.289 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000871810889 654262431 /nfs/dbraw/zinc/26/24/31/654262431.db2.gz KEHQGVPWPOFGCN-KCJUWKMLSA-N 1 0 392.321 2.343 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000871810628 654262498 /nfs/dbraw/zinc/26/24/98/654262498.db2.gz IWINPPRGVWZBKT-LDYMZIIASA-N 1 0 387.221 2.207 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc4sccc4nc3Cl)C2)nn1 ZINC000852833958 654262795 /nfs/dbraw/zinc/26/27/95/654262795.db2.gz HRWWDXKJCOGULC-NSHDSACASA-N 1 0 376.873 2.477 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000852841377 654262860 /nfs/dbraw/zinc/26/28/60/654262860.db2.gz DEIUBFMVDWXHMH-LLVKDONJSA-N 1 0 379.262 2.311 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1C(F)(F)F ZINC000871813370 654263564 /nfs/dbraw/zinc/26/35/64/654263564.db2.gz IEFUDIIVXPQECV-NKWVEPMBSA-N 1 0 378.203 2.146 20 0 GEADRO N[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000852858170 654263844 /nfs/dbraw/zinc/26/38/44/654263844.db2.gz SGJBPQYOTDRADW-RHSMWYFYSA-N 1 0 396.329 2.209 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903586836 654264038 /nfs/dbraw/zinc/26/40/38/654264038.db2.gz KRQOHWVYHYOQDK-NHYWBVRUSA-N 1 0 376.906 2.112 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)cs1 ZINC000903588141 654264134 /nfs/dbraw/zinc/26/41/34/654264134.db2.gz GTKSQXHJZZKWBX-SNVBAGLBSA-N 1 0 384.454 2.000 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903589029 654264519 /nfs/dbraw/zinc/26/45/19/654264519.db2.gz MFCZQLPQOPJLFK-APPDUMDISA-N 1 0 380.491 2.190 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(Br)cc1 ZINC000852869715 654264525 /nfs/dbraw/zinc/26/45/25/654264525.db2.gz FEZBLKXGVCVEOY-KRWDZBQOSA-N 1 0 396.285 2.066 20 0 GEADRO C[C@@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1(Br)Br ZINC000852880633 654265241 /nfs/dbraw/zinc/26/52/41/654265241.db2.gz CTHLTEALCOVYTO-UMNHJUIQSA-N 1 0 380.124 2.341 20 0 GEADRO O=S(=O)(N[C@@H]1CCCCC12CC[NH2+]CC2)c1ncccc1Br ZINC000871819048 654265837 /nfs/dbraw/zinc/26/58/37/654265837.db2.gz PGQRNFDOSRIBLI-CYBMUJFWSA-N 1 0 388.331 2.435 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)=NO1 ZINC000852894566 654266291 /nfs/dbraw/zinc/26/62/91/654266291.db2.gz WONRKYOAGPMNNY-GJZGRUSLSA-N 1 0 380.286 2.476 20 0 GEADRO Cc1n[nH]c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1Br ZINC000852906468 654267428 /nfs/dbraw/zinc/26/74/28/654267428.db2.gz DTNWCGHKFAADRA-CHWSQXEVSA-N 1 0 381.249 2.495 20 0 GEADRO C[C@H](NC(=O)c1ccc2ncc(I)n2c1)[C@H]1CCC[NH2+]C1 ZINC000832498222 654270329 /nfs/dbraw/zinc/27/03/29/654270329.db2.gz XJCOAVIEVHCTDF-QWRGUYRKSA-N 1 0 398.248 2.057 20 0 GEADRO [NH3+]C1CCC(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000832520765 654271633 /nfs/dbraw/zinc/27/16/33/654271633.db2.gz RWGLZSJQWYTTOV-UHFFFAOYSA-N 1 0 378.523 2.314 20 0 GEADRO CC[NH+]1CCC(NC(=O)CCNC(=O)c2cccs2)(C(F)(F)F)CC1 ZINC000891206731 654271874 /nfs/dbraw/zinc/27/18/74/654271874.db2.gz QEMIJIGGFFRIAA-UHFFFAOYSA-N 1 0 377.432 2.401 20 0 GEADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@]1(C)CC1(Cl)Cl ZINC000832555368 654275127 /nfs/dbraw/zinc/27/51/27/654275127.db2.gz MZZLYQKFYQRLRQ-ZDUSSCGKSA-N 1 0 385.288 2.368 20 0 GEADRO CN(Cc1csc(C(C)(C)O)n1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000832585088 654278251 /nfs/dbraw/zinc/27/82/51/654278251.db2.gz GVXZWGMMDGCBGA-UHFFFAOYSA-N 1 0 383.539 2.253 20 0 GEADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921526594 654278480 /nfs/dbraw/zinc/27/84/80/654278480.db2.gz GIVHTIRDOZFHPM-CQSZACIVSA-N 1 0 398.301 2.207 20 0 GEADRO O=C1N(CC[NH2+]C[C@H](O)c2ccccc2Br)C[C@@H]2CCCCN12 ZINC000853118799 654280230 /nfs/dbraw/zinc/28/02/30/654280230.db2.gz RCRWZCYSUZCXRK-BBRMVZONSA-N 1 0 382.302 2.362 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(F)cc1 ZINC000853131733 654280441 /nfs/dbraw/zinc/28/04/41/654280441.db2.gz MRSQSDFVHKCSQU-HNNXBMFYSA-N 1 0 377.359 2.340 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccsc2)CC[C@@H]1C(F)(F)F ZINC000903720329 654281608 /nfs/dbraw/zinc/28/16/08/654281608.db2.gz ACYRGTISGPCCSR-XQQFMLRXSA-N 1 0 375.416 2.150 20 0 GEADRO CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000903756533 654282435 /nfs/dbraw/zinc/28/24/35/654282435.db2.gz SSJGFWAGSHOWDD-HOCLYGCPSA-N 1 0 384.929 2.259 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCCN2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000903795813 654283706 /nfs/dbraw/zinc/28/37/06/654283706.db2.gz PCTBAJAPMAQWPF-PXAZEXFGSA-N 1 0 377.286 2.160 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCCN2CCS(=O)(=O)c1cccc(Br)c1 ZINC000903796679 654283817 /nfs/dbraw/zinc/28/38/17/654283817.db2.gz BLNGYTXSEYNQNA-XJKSGUPXSA-N 1 0 387.343 2.426 20 0 GEADRO FC(F)(F)c1nc(Br)c2n1CCN(C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903831295 654284745 /nfs/dbraw/zinc/28/47/45/654284745.db2.gz HCYOQSOYYVNOTP-SECBINFHSA-N 1 0 395.223 2.001 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNc2ncnc(F)c2Br)CC1 ZINC000853235277 654288508 /nfs/dbraw/zinc/28/85/08/654288508.db2.gz YDYNIHPFYHIWDA-UHFFFAOYSA-N 1 0 381.253 2.137 20 0 GEADRO Cn1c(C(=O)N2CCOC3(C[NH2+]C3)C2)ccc1-c1ccccc1Br ZINC000853246225 654289026 /nfs/dbraw/zinc/28/90/26/654289026.db2.gz UXHYMUFSYMDLHR-UHFFFAOYSA-N 1 0 390.281 2.269 20 0 GEADRO C[NH2+]C[C@@H](C)NCc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000853248375 654289495 /nfs/dbraw/zinc/28/94/95/654289495.db2.gz FBYROASZHUBGBW-LLVKDONJSA-N 1 0 395.388 2.283 20 0 GEADRO CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H](CO)c1cccc(Br)c1 ZINC000903897666 654290573 /nfs/dbraw/zinc/29/05/73/654290573.db2.gz IGPXBCFVOZIQDT-DOTOQJQBSA-N 1 0 394.317 2.131 20 0 GEADRO C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1cc2c(cc1Br)OCCO2 ZINC000891395111 654291080 /nfs/dbraw/zinc/29/10/80/654291080.db2.gz PFDZULCIWVSHBA-VWYCJHECSA-N 1 0 382.258 2.037 20 0 GEADRO COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903910883 654291477 /nfs/dbraw/zinc/29/14/77/654291477.db2.gz SKKFKFQLCHAMME-GDBMZVCRSA-N 1 0 375.847 2.154 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Br)nc1C)[C@H]1CC[N@H+](C)C1 ZINC000832742717 654292890 /nfs/dbraw/zinc/29/28/90/654292890.db2.gz MUONEVXDRLAXBE-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891426622 654293202 /nfs/dbraw/zinc/29/32/02/654293202.db2.gz SOFZPCGRZJMPFB-NOLJZWGESA-N 1 0 379.302 2.031 20 0 GEADRO O=S1(=O)CCNC[C@H]1CC[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000903969881 654293544 /nfs/dbraw/zinc/29/35/44/654293544.db2.gz MQRRRHZRKAUGMW-MRXNPFEDSA-N 1 0 378.460 2.394 20 0 GEADRO C[C@]1(Br)C[C@H]1C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000891531716 654299733 /nfs/dbraw/zinc/29/97/33/654299733.db2.gz PSTKQQYDBVSCGF-LRDDRELGSA-N 1 0 397.342 2.047 20 0 GEADRO CCC[N@H+](C)[C@H](CNC(=O)CC1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127824 654301107 /nfs/dbraw/zinc/30/11/07/654301107.db2.gz BAZBPHBTUBLTGU-ZIAGYGMSSA-N 1 0 382.917 2.396 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)C[C@@H]1C(F)(F)F ZINC000891588853 654302086 /nfs/dbraw/zinc/30/20/86/654302086.db2.gz IOURHJOSVOUBIS-BQBZGAKWSA-N 1 0 376.326 2.441 20 0 GEADRO C[NH2+]CCOc1cccc(-c2nc(-c3cnn(C)c3Br)no2)c1 ZINC000904111808 654302131 /nfs/dbraw/zinc/30/21/31/654302131.db2.gz KTWADHVWLOWHET-UHFFFAOYSA-N 1 0 378.230 2.498 20 0 GEADRO O=C(Cc1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1)Nc1ccccc1Br ZINC000904110449 654302214 /nfs/dbraw/zinc/30/22/14/654302214.db2.gz SVEQJTNUSPMVDF-HFBDOXOYSA-N 1 0 377.242 2.336 20 0 GEADRO CCOC(=O)c1nn(CN(C)CC2C[NH+](C)C2)c2ccc(Br)cc21 ZINC000853553893 654303393 /nfs/dbraw/zinc/30/33/93/654303393.db2.gz VSHXZZFLFVCMBY-UHFFFAOYSA-N 1 0 395.301 2.426 20 0 GEADRO CCOC(=O)[C@H](C)C1C[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000871993347 654304281 /nfs/dbraw/zinc/30/42/81/654304281.db2.gz NGCCIXALSGCYCF-IUODEOHRSA-N 1 0 386.286 2.320 20 0 GEADRO COc1cc(C[NH2+]Cc2cnc3n2CCOC3)cc(Br)c1OC ZINC000921691609 654305397 /nfs/dbraw/zinc/30/53/97/654305397.db2.gz FNSREDHCDFFHFB-UHFFFAOYSA-N 1 0 382.258 2.483 20 0 GEADRO OC1CC[NH+](Cc2ccc(CNCc3nc(Br)c[nH]3)cc2)CC1 ZINC000921696233 654306290 /nfs/dbraw/zinc/30/62/90/654306290.db2.gz JLENWWMMLQHCTE-UHFFFAOYSA-N 1 0 379.302 2.419 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000904320979 654307174 /nfs/dbraw/zinc/30/71/74/654307174.db2.gz SNPNZWCFBCDLMI-GFCCVEGCSA-N 1 0 389.237 2.419 20 0 GEADRO Cc1[nH+]ccc(N2CCCN(CC(=O)N3CCCC3)CC2)c1Br ZINC000891705974 654307836 /nfs/dbraw/zinc/30/78/36/654307836.db2.gz WRYYRTWZDVDLOV-UHFFFAOYSA-N 1 0 381.318 2.287 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)C[C@@H]1C(F)(F)F ZINC000891698199 654307933 /nfs/dbraw/zinc/30/79/33/654307933.db2.gz MMDFOKZWTQFWJU-UPJWGTAASA-N 1 0 381.464 2.210 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000904372273 654308417 /nfs/dbraw/zinc/30/84/17/654308417.db2.gz AEVIWGCKKBXMHK-LJGSYFOKSA-N 1 0 378.068 2.465 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)N2CC[NH2+]C[C@H]2COC)cc1Cl ZINC000904402113 654309378 /nfs/dbraw/zinc/30/93/78/654309378.db2.gz MOQHFVNSIHKRQZ-LBPRGKRZSA-N 1 0 392.283 2.471 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@H](CN2CCc3cc(F)c(Br)cc3C2)C1 ZINC000904433919 654310086 /nfs/dbraw/zinc/31/00/86/654310086.db2.gz QTPUJWWJFCWQOE-GFCCVEGCSA-N 1 0 384.293 2.144 20 0 GEADRO COc1ccc(NC(=O)N[C@H]2C[C@H](C[NH3+])C2)c(I)c1 ZINC000904449125 654311253 /nfs/dbraw/zinc/31/12/53/654311253.db2.gz FFCOUFQCQZJEKI-KYZUINATSA-N 1 0 375.210 2.159 20 0 GEADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000921722040 654311634 /nfs/dbraw/zinc/31/16/34/654311634.db2.gz PGHFBXJOBOKPCJ-UHFFFAOYSA-N 1 0 380.436 2.131 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c1Br ZINC000904485827 654312659 /nfs/dbraw/zinc/31/26/59/654312659.db2.gz WOZLHNYOSVDUKP-QLJPJBMISA-N 1 0 381.274 2.154 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cc(Br)cc3c1NC(=O)CO3)C2 ZINC000904537756 654313045 /nfs/dbraw/zinc/31/30/45/654313045.db2.gz GPBXRHMLJLEMCG-LSJOCFKGSA-N 1 0 395.257 2.124 20 0 GEADRO NC(=O)C1(C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CCOCC1 ZINC000872021828 654312977 /nfs/dbraw/zinc/31/29/77/654312977.db2.gz RQSJFDZSESEYSX-GOEBONIOSA-N 1 0 397.313 2.398 20 0 GEADRO O=C(NCC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)c1ccn[nH]1 ZINC000872061065 654313026 /nfs/dbraw/zinc/31/30/26/654313026.db2.gz VMVAWSRDZVECRV-CZUORRHYSA-N 1 0 393.285 2.269 20 0 GEADRO [NH3+]C1CCN(CCNC(=O)Nc2ccnn2Cc2ccc(Cl)s2)CC1 ZINC000904547050 654313549 /nfs/dbraw/zinc/31/35/49/654313549.db2.gz AECLHUZCFUNDDT-UHFFFAOYSA-N 1 0 382.921 2.191 20 0 GEADRO CCn1c(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc2cc(Br)ccc21 ZINC000891850960 654314858 /nfs/dbraw/zinc/31/48/58/654314858.db2.gz AHVZBCXKJFCRHG-BETUJISGSA-N 1 0 392.301 2.465 20 0 GEADRO CCN1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(F)cc2Br)CC1 ZINC000804623407 654315555 /nfs/dbraw/zinc/31/55/55/654315555.db2.gz CTWHKOOGSCYUQQ-LLVKDONJSA-N 1 0 387.249 2.298 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccc(Cl)cc2I)C1 ZINC000891858258 654315743 /nfs/dbraw/zinc/31/57/43/654315743.db2.gz NMNNSJAXRCHXPB-JLIMDTESSA-N 1 0 393.656 2.481 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000891866010 654315760 /nfs/dbraw/zinc/31/57/60/654315760.db2.gz YJMVXUHMTWIZLB-QGZVFWFLSA-N 1 0 387.571 2.448 20 0 GEADRO Cn1ncc(-c2noc([C@@H](N)C[N@H+](C)Cc3ccccc3)n2)c1Br ZINC000872181209 654316106 /nfs/dbraw/zinc/31/61/06/654316106.db2.gz ZFLLIRNMLZXBFH-ZDUSSCGKSA-N 1 0 391.273 2.364 20 0 GEADRO Cc1cc(Br)ccc1-c1noc([C@@H]2CCCN(CC[NH3+])C2=O)n1 ZINC000904688949 654316650 /nfs/dbraw/zinc/31/66/50/654316650.db2.gz FVCJNVFAATXMJG-ZDUSSCGKSA-N 1 0 379.258 2.472 20 0 GEADRO COc1nc(C)c(Br)cc1-c1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1 ZINC000904708446 654316985 /nfs/dbraw/zinc/31/69/85/654316985.db2.gz PEGLKJMWBJQLHB-HWPZZCPQSA-N 1 0 395.257 2.089 20 0 GEADRO O[C@H](C[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1)CC1(O)CCOCC1 ZINC000872214951 654317067 /nfs/dbraw/zinc/31/70/67/654317067.db2.gz LAYSJWNUBJNUAR-BBRMVZONSA-N 1 0 378.296 2.299 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000872214928 654317124 /nfs/dbraw/zinc/31/71/24/654317124.db2.gz KESNEKMZOTZOGW-OZVIIMIRSA-N 1 0 378.296 2.297 20 0 GEADRO C[C@]1(CNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)OCCc2sccc21 ZINC000891906426 654317643 /nfs/dbraw/zinc/31/76/43/654317643.db2.gz MSEWZTNEKQADMO-JVLSTEMRSA-N 1 0 377.432 2.315 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c2ccsc2S1(=O)=O ZINC000891910311 654318017 /nfs/dbraw/zinc/31/80/17/654318017.db2.gz RCEAPLYKKURXET-SCRDCRAPSA-N 1 0 385.555 2.433 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000891923361 654318740 /nfs/dbraw/zinc/31/87/40/654318740.db2.gz FQSSQRKWZFGMAO-MSOLQXFVSA-N 1 0 396.329 2.439 20 0 GEADRO O[C@H](C[NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)COC1CCOCC1 ZINC000872240086 654319024 /nfs/dbraw/zinc/31/90/24/654319024.db2.gz VSLQZVWLWSIRGO-BVPBIZIASA-N 1 0 382.298 2.233 20 0 GEADRO CSc1ccc(OC[C@@H](O)C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000872247811 654319777 /nfs/dbraw/zinc/31/97/77/654319777.db2.gz WJONLXBGLVTCSO-ADKJBXEHSA-N 1 0 385.551 2.094 20 0 GEADRO C[C@]1(Br)C[C@@H]1C[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000891950344 654320112 /nfs/dbraw/zinc/32/01/12/654320112.db2.gz KWBPFAKSOHELOL-KDOFPFPSSA-N 1 0 398.320 2.347 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cn(-c3ccccc3Br)nn1)C2 ZINC000872265732 654320796 /nfs/dbraw/zinc/32/07/96/654320796.db2.gz MORVILWBAVNDGS-CALCHBBNSA-N 1 0 390.285 2.101 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000872274982 654321365 /nfs/dbraw/zinc/32/13/65/654321365.db2.gz JKTZHZNGVXGZTP-XTQGRXLLSA-N 1 0 380.286 2.352 20 0 GEADRO CC1(C)CC[NH2+]CCN1C(=O)c1cccn2c(I)cnc12 ZINC000872297605 654322275 /nfs/dbraw/zinc/32/22/75/654322275.db2.gz RXCVIEUXGVMVLX-UHFFFAOYSA-N 1 0 398.248 2.153 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892002167 654323297 /nfs/dbraw/zinc/32/32/97/654323297.db2.gz LHJQZMMOCAJBBN-ZDUSSCGKSA-N 1 0 380.286 2.389 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000892024921 654325468 /nfs/dbraw/zinc/32/54/68/654325468.db2.gz SPRMDRJUXIZIQF-HIFRSBDPSA-N 1 0 376.284 2.112 20 0 GEADRO O=C(NCc1cc(Br)cs1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892033933 654325855 /nfs/dbraw/zinc/32/58/55/654325855.db2.gz XIQBNMNAZIWOGA-KGLIPLIRSA-N 1 0 388.331 2.251 20 0 GEADRO OC1CC[NH+](Cc2ccccc2CNCc2nc(Br)c[nH]2)CC1 ZINC000921817176 654326978 /nfs/dbraw/zinc/32/69/78/654326978.db2.gz IZLLBSOIRRUOLU-UHFFFAOYSA-N 1 0 379.302 2.419 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000892062150 654327054 /nfs/dbraw/zinc/32/70/54/654327054.db2.gz BSVJMONRYCKMLZ-UHFFFAOYSA-N 1 0 384.318 2.296 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cnc(Br)s2)CC1 ZINC000905028212 654327173 /nfs/dbraw/zinc/32/71/73/654327173.db2.gz YFMGMKSZPAUGEW-UHFFFAOYSA-N 1 0 383.271 2.272 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000905043773 654327777 /nfs/dbraw/zinc/32/77/77/654327777.db2.gz KBDDPOAQFBGPTE-UHFFFAOYSA-N 1 0 387.265 2.032 20 0 GEADRO O=c1n(CCC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)nc2n1CCCC2 ZINC000905052869 654328251 /nfs/dbraw/zinc/32/82/51/654328251.db2.gz WPCSWSGPKFESQT-HNNXBMFYSA-N 1 0 385.295 2.401 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccc(Cl)cc1 ZINC000905063061 654328638 /nfs/dbraw/zinc/32/86/38/654328638.db2.gz RKQULEKMRRSHGX-HNNXBMFYSA-N 1 0 375.918 2.007 20 0 GEADRO CCOC(=O)c1ncc(Br)c(NC[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000892120196 654329605 /nfs/dbraw/zinc/32/96/05/654329605.db2.gz LIFWZMDXFPFXCO-GFCCVEGCSA-N 1 0 385.306 2.370 20 0 GEADRO Cc1nc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)c(Br)n1C ZINC000804973111 654329694 /nfs/dbraw/zinc/32/96/94/654329694.db2.gz QOPBTMAYEMYDOX-UHFFFAOYSA-N 1 0 393.351 2.034 20 0 GEADRO O=C(NCCC[NH2+]C[C@@H](O)CC1(O)CCCC1)c1cccc(Br)c1 ZINC000905080723 654329737 /nfs/dbraw/zinc/32/97/37/654329737.db2.gz MLXAWRNXKANEQO-INIZCTEOSA-N 1 0 399.329 2.215 20 0 GEADRO O=C(NCC[NH2+]C[C@H](O)CC1(O)CCCCC1)c1cccc(Br)c1 ZINC000905080855 654329865 /nfs/dbraw/zinc/32/98/65/654329865.db2.gz ODUQLPFHUNSCQV-MRXNPFEDSA-N 1 0 399.329 2.215 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)C[C@]1(O)CCOC1 ZINC000905082604 654329917 /nfs/dbraw/zinc/32/99/17/654329917.db2.gz UUIZEIYMRPIQKT-IUODEOHRSA-N 1 0 396.228 2.043 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905088739 654330314 /nfs/dbraw/zinc/33/03/14/654330314.db2.gz KOZFSKAZMGLLQT-OAHLLOKOSA-N 1 0 385.302 2.342 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2nc(Br)cs2)CC1 ZINC000834501771 654330790 /nfs/dbraw/zinc/33/07/90/654330790.db2.gz IVESXXXMFJRCFH-VIFPVBQESA-N 1 0 382.349 2.370 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2nc(Br)cs2)CC1 ZINC000834501770 654330965 /nfs/dbraw/zinc/33/09/65/654330965.db2.gz IVESXXXMFJRCFH-SECBINFHSA-N 1 0 382.349 2.370 20 0 GEADRO O=C(NCc1cc2cc(Br)ccc2o1)NC[C@H]1C[NH2+]CCCO1 ZINC000892166034 654331974 /nfs/dbraw/zinc/33/19/74/654331974.db2.gz GEDYARNGSIYONK-CQSZACIVSA-N 1 0 382.258 2.373 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@@H]2CSc3ccccc32)CCC1 ZINC000905125670 654333033 /nfs/dbraw/zinc/33/30/33/654333033.db2.gz ATLXSMSVQCWIOY-ZBFHGGJFSA-N 1 0 384.567 2.425 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000834546822 654333396 /nfs/dbraw/zinc/33/33/96/654333396.db2.gz UWBFUHSQEHZVEB-BXUZGUMPSA-N 1 0 378.523 2.043 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1CSc3ccccc3O1)C2 ZINC000892201319 654333855 /nfs/dbraw/zinc/33/38/55/654333855.db2.gz LBUXXAXINHCEGW-NSHDSACASA-N 1 0 376.507 2.223 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000892215577 654334368 /nfs/dbraw/zinc/33/43/68/654334368.db2.gz YGNKALQLIHWGJE-WFASDCNBSA-N 1 0 395.301 2.123 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000834564813 654335349 /nfs/dbraw/zinc/33/53/49/654335349.db2.gz OKJMSXGBXUARFN-OAHLLOKOSA-N 1 0 379.810 2.211 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000834568787 654336086 /nfs/dbraw/zinc/33/60/86/654336086.db2.gz CNNTWKXUVRJZMP-CQSZACIVSA-N 1 0 392.244 2.055 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C[C@@]1(O)CCOC1 ZINC000905189919 654337194 /nfs/dbraw/zinc/33/71/94/654337194.db2.gz JLKHAPZOJJWDBP-JSGCOSHPSA-N 1 0 398.219 2.460 20 0 GEADRO O[C@@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C[C@@]1(O)CCOC1 ZINC000905189183 654337247 /nfs/dbraw/zinc/33/72/47/654337247.db2.gz LDEDGWUZPXRWSO-AEFFLSMTSA-N 1 0 382.913 2.498 20 0 GEADRO C[NH+](C)C1CCN(C(=O)Cc2noc(CC[C@@H]3CC3(Cl)Cl)n2)CC1 ZINC000854053151 654338982 /nfs/dbraw/zinc/33/89/82/654338982.db2.gz JPNHGNVVMGJQHQ-LLVKDONJSA-N 1 0 375.300 2.291 20 0 GEADRO C[NH+]1CCN(c2cc(-c3noc(C[C@H]4CSCCS4)n3)ccn2)CC1 ZINC000854084149 654339828 /nfs/dbraw/zinc/33/98/28/654339828.db2.gz DDOMQBRBUDNURA-AWEZNQCLSA-N 1 0 377.539 2.275 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000892323562 654340156 /nfs/dbraw/zinc/34/01/56/654340156.db2.gz WNYXIYXJPVMPBV-UVEMTJMWSA-N 1 0 376.298 2.481 20 0 GEADRO CC[C@@H]1CN(C(=O)c2cccn3c(I)cnc23)CC[C@@H]1[NH3+] ZINC000834647443 654341062 /nfs/dbraw/zinc/34/10/62/654341062.db2.gz PAAQLUJLQCOOJJ-PWSUYJOCSA-N 1 0 398.248 2.138 20 0 GEADRO O=S(=O)(Cc1c(F)cccc1Cl)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921913024 654341423 /nfs/dbraw/zinc/34/14/23/654341423.db2.gz ZIEXPQLQVKACMH-CYBMUJFWSA-N 1 0 376.881 2.152 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C1 ZINC000872456411 654341572 /nfs/dbraw/zinc/34/15/72/654341572.db2.gz NFPJUGRWRJIHJO-GFCCVEGCSA-N 1 0 376.320 2.197 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000892355852 654342118 /nfs/dbraw/zinc/34/21/18/654342118.db2.gz DWGHGMBSILWCRU-CQSZACIVSA-N 1 0 384.322 2.294 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C1 ZINC000854150944 654342332 /nfs/dbraw/zinc/34/23/32/654342332.db2.gz DBGBUWBEPLKPLC-AWEZNQCLSA-N 1 0 396.329 2.394 20 0 GEADRO O=C(Cc1noc(-c2sc3c(c2Br)C[NH2+]C3)n1)N1CCCC1 ZINC000854151092 654342391 /nfs/dbraw/zinc/34/23/91/654342391.db2.gz JANQAPLCNMARKI-UHFFFAOYSA-N 1 0 383.271 2.329 20 0 GEADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905232948 654342453 /nfs/dbraw/zinc/34/24/53/654342453.db2.gz OKFPPBOOVQILGX-GFCCVEGCSA-N 1 0 396.422 2.117 20 0 GEADRO O=C1[C@H]([NH2+]C[C@H](O)CC2(O)CCCC2)CCN1c1cccc(Br)c1 ZINC000905236212 654342495 /nfs/dbraw/zinc/34/24/95/654342495.db2.gz DVWURMLSRIJJFB-HZPDHXFCSA-N 1 0 397.313 2.200 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000892355855 654342652 /nfs/dbraw/zinc/34/26/52/654342652.db2.gz DXIJOISUZSSOTB-CHWSQXEVSA-N 1 0 384.322 2.104 20 0 GEADRO [NH3+][C@H]1C[C@H](c2nc(-c3ccc4ncc(I)n4c3)no2)C1 ZINC000854153351 654342873 /nfs/dbraw/zinc/34/28/73/654342873.db2.gz PPCDLDFYUKHSRU-KYZUINATSA-N 1 0 381.177 2.194 20 0 GEADRO COc1ccc([C@H](NCCS(=O)(=O)CC(F)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000854224842 654344930 /nfs/dbraw/zinc/34/49/30/654344930.db2.gz ZPQWHHFQWCZHAS-GJZGRUSLSA-N 1 0 380.432 2.055 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[N@H+](C)[C@H]3C)nc12 ZINC000921938804 654345140 /nfs/dbraw/zinc/34/51/40/654345140.db2.gz JTIKKXXUWQTXHP-WFASDCNBSA-N 1 0 394.317 2.340 20 0 GEADRO CCS(=O)(=O)N(C)C1CCN(c2cc[nH+]c(C)c2Br)CC1 ZINC000892431023 654346108 /nfs/dbraw/zinc/34/61/08/654346108.db2.gz NDJNYOXAKNAGCR-UHFFFAOYSA-N 1 0 376.320 2.403 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000834750212 654346446 /nfs/dbraw/zinc/34/64/46/654346446.db2.gz BLZSUBNNWRANHN-UHFFFAOYSA-N 1 0 380.897 2.387 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892455427 654346855 /nfs/dbraw/zinc/34/68/55/654346855.db2.gz BIYWEORROFXQKO-VXKCQOAXSA-N 1 0 382.302 2.490 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@@H]2CCCCC2(F)F)CCC1 ZINC000905273078 654346884 /nfs/dbraw/zinc/34/68/84/654346884.db2.gz KCDJMSGWIQTNLK-UONOGXRCSA-N 1 0 382.517 2.403 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892455428 654347058 /nfs/dbraw/zinc/34/70/58/654347058.db2.gz BIYWEORROFXQKO-YAJUMTOWSA-N 1 0 382.302 2.490 20 0 GEADRO CSCC1CCC([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905275243 654347330 /nfs/dbraw/zinc/34/73/30/654347330.db2.gz VZBGMSIFGWAKEW-UYSNPLJNSA-N 1 0 392.631 2.499 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000905280442 654347916 /nfs/dbraw/zinc/34/79/16/654347916.db2.gz QGFDDAKRNNZTCH-HNNXBMFYSA-N 1 0 382.309 2.210 20 0 GEADRO CC1([NH+]2CCC2)CCC(NC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000834796816 654348796 /nfs/dbraw/zinc/34/87/96/654348796.db2.gz WTZPDKUYHNLCQC-UHFFFAOYSA-N 1 0 393.289 2.024 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872476585 654349684 /nfs/dbraw/zinc/34/96/84/654349684.db2.gz ZFPUXMJXQDLXQT-GFCCVEGCSA-N 1 0 385.917 2.377 20 0 GEADRO C[NH+](C)CCOc1cccc(NC(=O)NCC[S@](=O)CC(F)(F)F)c1 ZINC000854306743 654349804 /nfs/dbraw/zinc/34/98/04/654349804.db2.gz FHONCXJWNFLDJR-VWLOTQADSA-N 1 0 381.420 2.060 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000834813088 654349935 /nfs/dbraw/zinc/34/99/35/654349935.db2.gz DLXJMELHRQZMJX-LLVKDONJSA-N 1 0 375.922 2.274 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000834813089 654350030 /nfs/dbraw/zinc/35/00/30/654350030.db2.gz DLXJMELHRQZMJX-NSHDSACASA-N 1 0 375.922 2.274 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc(Br)n1 ZINC000872478417 654350293 /nfs/dbraw/zinc/35/02/93/654350293.db2.gz XPPOTJOIXKMBLG-UHFFFAOYSA-N 1 0 376.320 2.341 20 0 GEADRO CN(CCOc1ccc(Br)cc1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330533 654350515 /nfs/dbraw/zinc/35/05/15/654350515.db2.gz BAESZCPTRUOOIA-UHFFFAOYSA-N 1 0 391.331 2.089 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892552655 654350901 /nfs/dbraw/zinc/35/09/01/654350901.db2.gz BZBYGISIOZNWKZ-JNSHFYNHSA-N 1 0 387.311 2.378 20 0 GEADRO C[C@@H](CNS(=O)(=O)CC1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000905337873 654351284 /nfs/dbraw/zinc/35/12/84/654351284.db2.gz LAPLUPUSOLDZMR-LBPRGKRZSA-N 1 0 391.331 2.135 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000892574752 654352243 /nfs/dbraw/zinc/35/22/43/654352243.db2.gz KKCUZODIKYKFPO-KOMQPUFPSA-N 1 0 381.318 2.014 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)C1 ZINC000892571406 654352291 /nfs/dbraw/zinc/35/22/91/654352291.db2.gz ZGHLAXFARBKUFA-NNUKFRKNSA-N 1 0 399.308 2.153 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000905355312 654352677 /nfs/dbraw/zinc/35/26/77/654352677.db2.gz BZBROIXMULHCDA-AWEZNQCLSA-N 1 0 377.432 2.499 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1Cl ZINC000905354837 654352712 /nfs/dbraw/zinc/35/27/12/654352712.db2.gz XMKYHCVSKFBMKO-HNNXBMFYSA-N 1 0 389.880 2.391 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000905357350 654353009 /nfs/dbraw/zinc/35/30/09/654353009.db2.gz JLKQFVSBEGOFDM-IAQYHMDHSA-N 1 0 376.906 2.173 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000834849426 654353278 /nfs/dbraw/zinc/35/32/78/654353278.db2.gz UHHFPJXUKQRTMT-OCCSQVGLSA-N 1 0 388.693 2.466 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)cnc2Cl)CC12CCOCC2 ZINC000834853641 654353396 /nfs/dbraw/zinc/35/33/96/654353396.db2.gz KTGBJSPCUXWUFA-JTQLQIEISA-N 1 0 388.693 2.325 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)CCC1(O)CCC1)Cc1cccc(Br)c1 ZINC000905365559 654353643 /nfs/dbraw/zinc/35/36/43/654353643.db2.gz KFSGUSUPMPWPRY-NVXWUHKLSA-N 1 0 386.330 2.246 20 0 GEADRO O=C(NCc1ccc(Br)cn1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892617022 654353825 /nfs/dbraw/zinc/35/38/25/654353825.db2.gz RXWYFYYHJVSVON-MRXNPFEDSA-N 1 0 375.270 2.358 20 0 GEADRO O=C(NCc1cnc(Br)cn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000854351503 654354098 /nfs/dbraw/zinc/35/40/98/654354098.db2.gz YZMPURKQRTWCLI-CQSZACIVSA-N 1 0 390.285 2.163 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@](C)(O)C(F)F ZINC000905370203 654354209 /nfs/dbraw/zinc/35/42/09/654354209.db2.gz DFEYXHPLLMHOSN-BONVTDFDSA-N 1 0 382.245 2.214 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000854354074 654354970 /nfs/dbraw/zinc/35/49/70/654354970.db2.gz LYMKYORMIAYLQZ-NSHDSACASA-N 1 0 395.276 2.189 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC[C@@H]2CC2(Cl)Cl)CCC1 ZINC000905386268 654354950 /nfs/dbraw/zinc/35/49/50/654354950.db2.gz OZJJDHRBZTVPNO-NEPJUHHUSA-N 1 0 387.373 2.161 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872490943 654355030 /nfs/dbraw/zinc/35/50/30/654355030.db2.gz OBMGSDHSPVPNHK-NHYWBVRUSA-N 1 0 385.917 2.328 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000834878177 654355142 /nfs/dbraw/zinc/35/51/42/654355142.db2.gz JYVDHOHMRFDXNV-QLFBSQMISA-N 1 0 377.551 2.130 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1Br ZINC000834912455 654355493 /nfs/dbraw/zinc/35/54/93/654355493.db2.gz WVDHMXLPOKFCEN-RRFJBIMHSA-N 1 0 376.316 2.428 20 0 GEADRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000834905527 654355570 /nfs/dbraw/zinc/35/55/70/654355570.db2.gz YKYDGKIZNNIZRU-ZKYQVNSYSA-N 1 0 379.425 2.146 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]Cc2ccc(O)c(Cl)c2)CCC1 ZINC000905415615 654355992 /nfs/dbraw/zinc/35/59/92/654355992.db2.gz LXZORKJGUJYIAL-OAHLLOKOSA-N 1 0 390.933 2.137 20 0 GEADRO C[C@]1(Br)C[C@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000892674039 654357220 /nfs/dbraw/zinc/35/72/20/654357220.db2.gz KWMFIWSYOGWXCJ-AHIWAGSCSA-N 1 0 383.286 2.074 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000905433596 654357498 /nfs/dbraw/zinc/35/74/98/654357498.db2.gz ZIGUNFITOTZDBT-VXGBXAGGSA-N 1 0 382.309 2.290 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000835037712 654358833 /nfs/dbraw/zinc/35/88/33/654358833.db2.gz WAVWITNSVDESFT-UHFFFAOYSA-N 1 0 383.290 2.083 20 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CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CC(C)(C)CS(C)(=O)=O)cc1 ZINC000905580849 654367289 /nfs/dbraw/zinc/36/72/89/654367289.db2.gz UWJSJPSUEHETKA-UHFFFAOYSA-N 1 0 389.583 2.418 20 0 GEADRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)CS(C)(=O)=O ZINC000905580818 654367359 /nfs/dbraw/zinc/36/73/59/654367359.db2.gz SWVXGKJBVVMKAQ-GFCCVEGCSA-N 1 0 384.325 2.394 20 0 GEADRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)CS(C)(=O)=O ZINC000905580883 654367455 /nfs/dbraw/zinc/36/74/55/654367455.db2.gz VSGFQCDJUPMWKK-GFCCVEGCSA-N 1 0 383.432 2.106 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)n2)C[C@H]1C ZINC000835173083 654368387 /nfs/dbraw/zinc/36/83/87/654368387.db2.gz UHCURGYBLNXYQH-OLZOCXBDSA-N 1 0 397.317 2.422 20 0 GEADRO C[C@@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC[C@H](C(F)(F)F)O1 ZINC000892878454 654368585 /nfs/dbraw/zinc/36/85/85/654368585.db2.gz UPDNZCIREROVIB-BXKDBHETSA-N 1 0 378.420 2.122 20 0 GEADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1nc(Br)c[nH]1 ZINC000922111413 654368703 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O[C@@H](C[NH2+]Cc1cnn(CCF)c1)COc1cc(F)cc(Br)c1 ZINC000905657732 654372297 /nfs/dbraw/zinc/37/22/97/654372297.db2.gz XBZFQHNMTVEOBL-AWEZNQCLSA-N 1 0 390.228 2.284 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000854642946 654372794 /nfs/dbraw/zinc/37/27/94/654372794.db2.gz OZXIKINTCVTBMG-CHWSQXEVSA-N 1 0 388.693 2.433 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000922165343 654373177 /nfs/dbraw/zinc/37/31/77/654373177.db2.gz GFOSODOUEFULLF-UHFFFAOYSA-N 1 0 385.295 2.205 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000922175965 654373486 /nfs/dbraw/zinc/37/34/86/654373486.db2.gz ZEAQIVBIJZALPN-UHFFFAOYSA-N 1 0 378.466 2.445 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000854651556 654373601 /nfs/dbraw/zinc/37/36/01/654373601.db2.gz DQEKAZROIDURFR-GXFFZTMASA-N 1 0 389.315 2.017 20 0 GEADRO Cc1nc([C@@H]2CC[N@H+](Cn3nc(Br)c(=O)c4ccccc43)C2)no1 ZINC000905680830 654373643 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Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000835310558 654379411 /nfs/dbraw/zinc/37/94/11/654379411.db2.gz HRFNKKJWAVEZKX-GFCCVEGCSA-N 1 0 397.317 2.328 20 0 GEADRO COc1ccc(Br)cc1Cn1cc(CN2CCC([NH3+])CC2)nn1 ZINC000905789163 654379935 /nfs/dbraw/zinc/37/99/35/654379935.db2.gz RXNUFBKELOAAKF-UHFFFAOYSA-N 1 0 380.290 2.021 20 0 GEADRO CN(C)c1cc[nH+]c(CNC(=O)NCCCCn2cc(Br)cn2)c1 ZINC000922263301 654380356 /nfs/dbraw/zinc/38/03/56/654380356.db2.gz VBQKKDUQLVLGMJ-UHFFFAOYSA-N 1 0 395.305 2.386 20 0 GEADRO [NH3+]C1CCN(Cc2cn(Cc3cn4cc(Cl)cc(Cl)c4n3)nn2)CC1 ZINC000905800582 654380743 /nfs/dbraw/zinc/38/07/43/654380743.db2.gz YELPWZSKPZGJKG-UHFFFAOYSA-N 1 0 380.283 2.204 20 0 GEADRO [NH3+]C1CCN(Cc2cn(Cc3ncc(Br)cc3Cl)nn2)CC1 ZINC000905812793 654381188 /nfs/dbraw/zinc/38/11/88/654381188.db2.gz KNAWZSLITXYCNP-UHFFFAOYSA-N 1 0 385.697 2.060 20 0 GEADRO CC1(C)OC[C@H](C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)O1 ZINC000893086048 654381559 /nfs/dbraw/zinc/38/15/59/654381559.db2.gz 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COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000872664133 654387231 /nfs/dbraw/zinc/38/72/31/654387231.db2.gz LZMFBIANAMRENA-CHWSQXEVSA-N 1 0 389.315 2.315 20 0 GEADRO Cc1cc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c2c(n1)CCCC2 ZINC000893180137 654387540 /nfs/dbraw/zinc/38/75/40/654387540.db2.gz CGCOMLHSEJSYPN-HNNXBMFYSA-N 1 0 380.535 2.255 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)COc1cccc(Cl)c1Cl ZINC000905917999 654391084 /nfs/dbraw/zinc/39/10/84/654391084.db2.gz FREWLJGHSVIHBO-STQMWFEESA-N 1 0 378.296 2.379 20 0 GEADRO Cc1nn(C)c(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1Br ZINC000922419766 654391359 /nfs/dbraw/zinc/39/13/59/654391359.db2.gz VDRPSJCCSRAORE-UHFFFAOYSA-N 1 0 378.336 2.184 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(COC(=O)COC2CC[NH+](C)CC2)c1 ZINC000905929438 654391694 /nfs/dbraw/zinc/39/16/94/654391694.db2.gz PHVARBAZLRAJCN-UHFFFAOYSA-N 1 0 389.901 2.288 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000872723400 654393451 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GEADRO C[C@]1(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)OCCc2sccc21 ZINC000922531292 654400156 /nfs/dbraw/zinc/40/01/56/654400156.db2.gz VLOVFWNXYUQTLQ-RLFYNMQTSA-N 1 0 381.567 2.415 20 0 GEADRO C[C@]1(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)OCCc2sccc21 ZINC000922531290 654400181 /nfs/dbraw/zinc/40/01/81/654400181.db2.gz VLOVFWNXYUQTLQ-HDMKZQKVSA-N 1 0 381.567 2.415 20 0 GEADRO Cn1cc(C[NH2+]C[C@](C)(O)c2cccc(F)c2)c(I)n1 ZINC000922563728 654401154 /nfs/dbraw/zinc/40/11/54/654401154.db2.gz KTCIGBVHEUHQBP-AWEZNQCLSA-N 1 0 389.212 2.161 20 0 GEADRO CO[C@]1(C[NH2+]Cc2c(C)ccc(Br)c2F)CCS(=O)(=O)C1 ZINC000922618390 654404174 /nfs/dbraw/zinc/40/41/74/654404174.db2.gz LWFOSTXCEJRSNO-AWEZNQCLSA-N 1 0 380.279 2.190 20 0 GEADRO C[NH+](C)CC[C@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1cccnc1 ZINC000922630681 654404432 /nfs/dbraw/zinc/40/44/32/654404432.db2.gz ATKPHPHGOBZQSR-INIZCTEOSA-N 1 0 382.917 2.165 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000893515233 654404923 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C[C@]1(Br)C[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000893621275 654411539 /nfs/dbraw/zinc/41/15/39/654411539.db2.gz RDUGPXRVMAUAHB-RYRKJORJSA-N 1 0 381.314 2.220 20 0 GEADRO O=C1C[C@H](CC[NH2+]Cc2c(F)ccc(I)c2F)CN1 ZINC000922778229 654412862 /nfs/dbraw/zinc/41/28/62/654412862.db2.gz JOMOPDVHWUUYHR-QMMMGPOBSA-N 1 0 380.176 2.185 20 0 GEADRO C[NH+](C)CCOc1ccc(NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc1F ZINC000906068137 654413328 /nfs/dbraw/zinc/41/33/28/654413328.db2.gz RYLPUEIJGYTBPD-XMMPIXPASA-N 1 0 395.522 2.319 20 0 GEADRO Cc1ccc(Br)c(F)c1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000873094155 654414436 /nfs/dbraw/zinc/41/44/36/654414436.db2.gz AMXZLHQUMOUUFY-NSHDSACASA-N 1 0 379.295 2.268 20 0 GEADRO CCN(C(=O)c1ccc2ncc(I)n2c1)[C@@H]1CC[N@H+](C)C1 ZINC000855361205 654415178 /nfs/dbraw/zinc/41/51/78/654415178.db2.gz SZFRZJXXYIXMLS-GFCCVEGCSA-N 1 0 398.248 2.105 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(C)c1Cl ZINC000873105888 654415368 /nfs/dbraw/zinc/41/53/68/654415368.db2.gz BXSPMWCDQYHLKV-JQWIXIFHSA-N 1 0 377.794 2.491 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C2 ZINC000873106423 654415672 /nfs/dbraw/zinc/41/56/72/654415672.db2.gz IWJDXTQYCSNGTM-ZUZCIYMTSA-N 1 0 375.778 2.365 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@H]1C(F)(F)F ZINC000873106676 654415687 /nfs/dbraw/zinc/41/56/87/654415687.db2.gz JPORDIXTXBNEOQ-HTRCEHHLSA-N 1 0 385.720 2.152 20 0 GEADRO O=C(NCc1ccc2c[nH+]cn2c1)NCC1(n2cc(Br)cn2)CC1 ZINC000922834796 654416154 /nfs/dbraw/zinc/41/61/54/654416154.db2.gz PWGYJTKHZMMURA-UHFFFAOYSA-N 1 0 389.257 2.282 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000922837509 654416433 /nfs/dbraw/zinc/41/64/33/654416433.db2.gz HKFMHCIPVNDHBX-KOLCDFICSA-N 1 0 379.345 2.470 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)nc1 ZINC000855402598 654416641 /nfs/dbraw/zinc/41/66/41/654416641.db2.gz FXODDQVXBHBBPT-INIZCTEOSA-N 1 0 390.281 2.341 20 0 GEADRO OC[C@H](C[NH2+]Cc1cccc(F)c1I)[C@H]1CCOC1 ZINC000873118990 654416724 /nfs/dbraw/zinc/41/67/24/654416724.db2.gz AITKQYKKYPXOOJ-RYUDHWBXSA-N 1 0 379.213 2.165 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1scnc1Br ZINC000855403465 654417122 /nfs/dbraw/zinc/41/71/22/654417122.db2.gz NOWNFSZZNWJOOQ-ZDUSSCGKSA-N 1 0 396.310 2.402 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC[C@H](C)[NH+](C)C)ccc1Cl ZINC000855413299 654417580 /nfs/dbraw/zinc/41/75/80/654417580.db2.gz JTNAHWGOEPPPGF-ZDUSSCGKSA-N 1 0 389.949 2.441 20 0 GEADRO C[NH+]1CCN(Cc2ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000906125652 654417914 /nfs/dbraw/zinc/41/79/14/654417914.db2.gz DBGDGYGHIHKMMG-CQSZACIVSA-N 1 0 394.730 2.494 20 0 GEADRO Cn1c2ccccc2c(Br)c1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000873132183 654418010 /nfs/dbraw/zinc/41/80/10/654418010.db2.gz KQLWXAPLWOBCEG-NSHDSACASA-N 1 0 375.274 2.422 20 0 GEADRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000873197105 654422373 /nfs/dbraw/zinc/42/23/73/654422373.db2.gz VRZSLSHJUZRLQK-QLJPJBMISA-N 1 0 384.274 2.412 20 0 GEADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000922970231 654422466 /nfs/dbraw/zinc/42/24/66/654422466.db2.gz KXZWZHBVLWWZRQ-NSHDSACASA-N 1 0 382.287 2.457 20 0 GEADRO CCOc1cc(C[NH2+]C[C@H](O)c2ccnn2C)cc(Br)c1OC ZINC000922977103 654422646 /nfs/dbraw/zinc/42/26/46/654422646.db2.gz VFXKYEBDSXIHCN-AWEZNQCLSA-N 1 0 384.274 2.413 20 0 GEADRO Nc1cnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000873210172 654422826 /nfs/dbraw/zinc/42/28/26/654422826.db2.gz XKLIODGRTGCYSK-LLVKDONJSA-N 1 0 391.273 2.067 20 0 GEADRO COc1cc(Br)c(C[NH2+][C@H]2CCc3nnn(C)c3C2)c(OC)c1 ZINC000922996392 654423491 /nfs/dbraw/zinc/42/34/91/654423491.db2.gz VRMSAQTWACKXER-JTQLQIEISA-N 1 0 381.274 2.242 20 0 GEADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000906251476 654423614 /nfs/dbraw/zinc/42/36/14/654423614.db2.gz WHGDYFYZGKSRTR-ZDUSSCGKSA-N 1 0 380.703 2.283 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnnn1-c1ccccc1Br ZINC000906241743 654423641 /nfs/dbraw/zinc/42/36/41/654423641.db2.gz XYFHBTISWCGHOU-QWHCGFSZSA-N 1 0 390.285 2.386 20 0 GEADRO CCS(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873303833 654424135 /nfs/dbraw/zinc/42/41/35/654424135.db2.gz LIURFUHOBYXDMT-ZWNOBZJWSA-N 1 0 379.404 2.081 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccc3nccnc3c1Br)C2 ZINC000873324693 654424836 /nfs/dbraw/zinc/42/48/36/654424836.db2.gz NOJZKADKWSUBBW-MGPLVRAMSA-N 1 0 376.258 2.466 20 0 GEADRO O[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C12CCOCC2 ZINC000923022369 654425076 /nfs/dbraw/zinc/42/50/76/654425076.db2.gz WEOGKZMORRGLKX-HOTGVXAUSA-N 1 0 393.285 2.049 20 0 GEADRO O[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2I)C12CCOCC2 ZINC000923020783 654425175 /nfs/dbraw/zinc/42/51/75/654425175.db2.gz UTXUMWNDHIEHHK-QWHCGFSZSA-N 1 0 391.224 2.450 20 0 GEADRO COc1cc(Br)c(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)cc1OC ZINC000923026414 654425546 /nfs/dbraw/zinc/42/55/46/654425546.db2.gz XMHAJSRFDWLCST-HOTGVXAUSA-N 1 0 386.286 2.486 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCc2ncc(Br)cn2)[C@@H]1c1ccccc1 ZINC000893878604 654429013 /nfs/dbraw/zinc/42/90/13/654429013.db2.gz UBFXCGLJHYJUBK-HOCLYGCPSA-N 1 0 390.285 2.484 20 0 GEADRO CCCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000893893898 654429463 /nfs/dbraw/zinc/42/94/63/654429463.db2.gz VGPFLHXNRJEETN-CHWSQXEVSA-N 1 0 384.489 2.434 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906357789 654431014 /nfs/dbraw/zinc/43/10/14/654431014.db2.gz CTRZGHOLUSDWLL-NSHDSACASA-N 1 0 383.315 2.437 20 0 GEADRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]C[C@@H]1C[C@]1(C)Br)CC2 ZINC000893924768 654431623 /nfs/dbraw/zinc/43/16/23/654431623.db2.gz KUOMGKQBEQYGJU-IGCXYCKISA-N 1 0 383.334 2.347 20 0 GEADRO Cn1ncc(I)c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000893940482 654432533 /nfs/dbraw/zinc/43/25/33/654432533.db2.gz NTWKNHFXZLYDHU-UHFFFAOYSA-N 1 0 388.297 2.333 20 0 GEADRO Cn1cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c(I)n1 ZINC000893986553 654436116 /nfs/dbraw/zinc/43/61/16/654436116.db2.gz OHNVXKABNNVQQE-CQSZACIVSA-N 1 0 388.297 2.475 20 0 GEADRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000906454146 654439109 /nfs/dbraw/zinc/43/91/09/654439109.db2.gz BVXXXYHHTLLVSZ-DZGCQCFKSA-N 1 0 382.302 2.214 20 0 GEADRO O=C(c1nscc1I)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000906459618 654440091 /nfs/dbraw/zinc/44/00/91/654440091.db2.gz NJKGQESTMWVBGJ-JTQLQIEISA-N 1 0 391.278 2.448 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000923267003 654440564 /nfs/dbraw/zinc/44/05/64/654440564.db2.gz UMJGVQZWFOXHJZ-WDEREUQCSA-N 1 0 379.258 2.340 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000923321071 654444098 /nfs/dbraw/zinc/44/40/98/654444098.db2.gz JSHBXMIPIFXFLQ-ZDUSSCGKSA-N 1 0 382.306 2.402 20 0 GEADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1nc(Br)nn1C ZINC000894097092 654446540 /nfs/dbraw/zinc/44/65/40/654446540.db2.gz AVNRIUQRXNZFGA-UHFFFAOYSA-N 1 0 379.306 2.250 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)CNc1cc[nH+]cc1CO ZINC000894109225 654447621 /nfs/dbraw/zinc/44/76/21/654447621.db2.gz KLFHJPFAHAYSNR-LBPRGKRZSA-N 1 0 381.270 2.030 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(F)cc(Cl)cc2Br)C1 ZINC000873687046 654448665 /nfs/dbraw/zinc/44/86/65/654448665.db2.gz WGBMMFIBUPGWQW-SECBINFHSA-N 1 0 392.656 2.391 20 0 GEADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1c(I)cnn1C ZINC000894139547 654449468 /nfs/dbraw/zinc/44/94/68/654449468.db2.gz FSXQWZCCBALBOR-HZMBPMFUSA-N 1 0 391.253 2.236 20 0 GEADRO NC(=O)c1cccc(CC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894138090 654449534 /nfs/dbraw/zinc/44/95/34/654449534.db2.gz WOKFGCWEJVUVPO-UHFFFAOYSA-N 1 0 380.901 2.064 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000894137676 654449680 /nfs/dbraw/zinc/44/96/80/654449680.db2.gz RWFFEVMVEPLZDM-NSHDSACASA-N 1 0 383.233 2.366 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873697177 654450029 /nfs/dbraw/zinc/45/00/29/654450029.db2.gz XTKCFAODAAFXHO-NSHDSACASA-N 1 0 393.285 2.392 20 0 GEADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cn(C)nc1I ZINC000894141222 654450147 /nfs/dbraw/zinc/45/01/47/654450147.db2.gz RPAMQQFIYKPLHZ-RISCZKNCSA-N 1 0 391.253 2.236 20 0 GEADRO Cn1nc(Br)nc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000894166791 654452132 /nfs/dbraw/zinc/45/21/32/654452132.db2.gz UKVIKGMYQARDSV-UHFFFAOYSA-N 1 0 378.318 2.374 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCOc1ccc(F)cc1 ZINC000894165411 654452236 /nfs/dbraw/zinc/45/22/36/654452236.db2.gz QMXGLTBIALEPBY-UHFFFAOYSA-N 1 0 375.185 2.332 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000906601861 654452431 /nfs/dbraw/zinc/45/24/31/654452431.db2.gz LQZPKWAJFMTZCC-CYBMUJFWSA-N 1 0 381.933 2.012 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cn3cc(Cl)cn3)s2)C1 ZINC000906597785 654452489 /nfs/dbraw/zinc/45/24/89/654452489.db2.gz OKGHMLRUJODXAO-AWEZNQCLSA-N 1 0 382.917 2.487 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000873718030 654453824 /nfs/dbraw/zinc/45/38/24/654453824.db2.gz QZGUACJWCOTXEY-JTQLQIEISA-N 1 0 396.285 2.189 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCS(=O)(=O)c1cccc(Br)c1 ZINC000923441960 654453765 /nfs/dbraw/zinc/45/37/65/654453765.db2.gz NOQNNZKUFOIZSO-RWMBFGLXSA-N 1 0 375.332 2.294 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873717836 654453887 /nfs/dbraw/zinc/45/38/87/654453887.db2.gz OAAIAWGQUMKSIR-LLVKDONJSA-N 1 0 392.258 2.298 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](OC)c2ccc(Br)s2)C1 ZINC000906619205 654454047 /nfs/dbraw/zinc/45/40/47/654454047.db2.gz OMSKCFSEZZABTI-MFKMUULPSA-N 1 0 377.304 2.035 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873719008 654454239 /nfs/dbraw/zinc/45/42/39/654454239.db2.gz YDRDYJOBYFPJKQ-LLVKDONJSA-N 1 0 398.301 2.437 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)nc12 ZINC000894195684 654454613 /nfs/dbraw/zinc/45/46/13/654454613.db2.gz SVWNFXXYIRGZCT-SWLSCSKDSA-N 1 0 392.301 2.251 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)nc12 ZINC000894195683 654454716 /nfs/dbraw/zinc/45/47/16/654454716.db2.gz SVWNFXXYIRGZCT-IUODEOHRSA-N 1 0 392.301 2.251 20 0 GEADRO C[C@H](CNCc1c(I)cnn1C)C[NH+]1CCCCC1 ZINC000894195889 654454734 /nfs/dbraw/zinc/45/47/34/654454734.db2.gz OJIYSHFPGMHLEO-GFCCVEGCSA-N 1 0 376.286 2.236 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCn1cnc2ccccc21 ZINC000894207313 654455839 /nfs/dbraw/zinc/45/58/39/654455839.db2.gz QNUBQBDHCKMLCA-UHFFFAOYSA-N 1 0 381.221 2.164 20 0 GEADRO FC(F)(F)CN1CC[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894212187 654456230 /nfs/dbraw/zinc/45/62/30/654456230.db2.gz WZCQWMWUJYLDMG-JTQLQIEISA-N 1 0 384.855 2.359 20 0 GEADRO CN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@H]1C[NH+]2CCC1CC2 ZINC000906648200 654456497 /nfs/dbraw/zinc/45/64/97/654456497.db2.gz NAZIIYXIYJYXQG-HNNXBMFYSA-N 1 0 380.286 2.112 20 0 GEADRO COc1nccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1F ZINC000894228461 654457696 /nfs/dbraw/zinc/45/76/96/654457696.db2.gz HWNKDJQLRBWJGF-UHFFFAOYSA-N 1 0 387.864 2.341 20 0 GEADRO COc1cccc2c1OC[C@@H]([NH2+]Cc1cn(C)nc1I)C2 ZINC000894226165 654457761 /nfs/dbraw/zinc/45/77/61/654457761.db2.gz NRPNYVNQLXLLMR-LBPRGKRZSA-N 1 0 399.232 2.127 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906673773 654459336 /nfs/dbraw/zinc/45/93/36/654459336.db2.gz MHOFULRVRQEKSZ-UHFFFAOYSA-N 1 0 382.302 2.360 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)cn1 ZINC000873770361 654461302 /nfs/dbraw/zinc/46/13/02/654461302.db2.gz JADSRJPZXCEPHO-UHFFFAOYSA-N 1 0 388.230 2.468 20 0 GEADRO Cc1cc(OCC(=O)NCC2([NH+](C)C)CCOCC2)ccc1Br ZINC000906696833 654461469 /nfs/dbraw/zinc/46/14/69/654461469.db2.gz JWIKSTOXMKURIC-UHFFFAOYSA-N 1 0 385.302 2.363 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000894278883 654461523 /nfs/dbraw/zinc/46/15/23/654461523.db2.gz UXVJZDBUKSBGAS-CQSZACIVSA-N 1 0 377.270 2.446 20 0 GEADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000906699200 654461985 /nfs/dbraw/zinc/46/19/85/654461985.db2.gz GLCGZQDEFQOHMH-ZDUSSCGKSA-N 1 0 380.703 2.283 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000906699740 654461991 /nfs/dbraw/zinc/46/19/91/654461991.db2.gz FFMWMEUIHFZYRR-LBPRGKRZSA-N 1 0 388.693 2.464 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCc1cnc(Br)cn1 ZINC000923533054 654463111 /nfs/dbraw/zinc/46/31/11/654463111.db2.gz JBAZSRVHIRTPEP-ZIAGYGMSSA-N 1 0 382.306 2.397 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)[C@H](C)C1 ZINC000906710012 654463416 /nfs/dbraw/zinc/46/34/16/654463416.db2.gz HMHPPRMMJDASEQ-FRRDWIJNSA-N 1 0 389.751 2.361 20 0 GEADRO Cc1cc([C@](C)(O)C[NH2+]Cc2c(I)cnn2C)c(C)o1 ZINC000894302856 654463771 /nfs/dbraw/zinc/46/37/71/654463771.db2.gz FEVHRTSTDZDXMR-CQSZACIVSA-N 1 0 389.237 2.232 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000923537681 654464490 /nfs/dbraw/zinc/46/44/90/654464490.db2.gz XIJHCBLBRGXUQW-WFASDCNBSA-N 1 0 394.317 2.397 20 0 GEADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000906738035 654466355 /nfs/dbraw/zinc/46/63/55/654466355.db2.gz HHSZLEHFUPCPAM-VIFPVBQESA-N 1 0 389.681 2.084 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000906739559 654466392 /nfs/dbraw/zinc/46/63/92/654466392.db2.gz OVFUUPFGGQODJM-KYZUINATSA-N 1 0 377.844 2.489 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Cl)cc1Br)C2 ZINC000906754976 654468389 /nfs/dbraw/zinc/46/83/89/654468389.db2.gz IGOOTLAJDXNGEA-GDPRMGEGSA-N 1 0 386.677 2.379 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(I)n1 ZINC000894358517 654468924 /nfs/dbraw/zinc/46/89/24/654468924.db2.gz GNXWIZJHTLKZEH-XQQFMLRXSA-N 1 0 387.265 2.462 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cc(C)c1Br ZINC000906764603 654469151 /nfs/dbraw/zinc/46/91/51/654469151.db2.gz GJMAASLKGRBPQK-KRWDZBQOSA-N 1 0 380.286 2.359 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906771777 654470642 /nfs/dbraw/zinc/47/06/42/654470642.db2.gz NMYZQNSFHPZBMT-HNNXBMFYSA-N 1 0 386.677 2.396 20 0 GEADRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1I)c1cccs1 ZINC000894384135 654471581 /nfs/dbraw/zinc/47/15/81/654471581.db2.gz LFJIRNRBHQUHKA-NSHDSACASA-N 1 0 390.294 2.479 20 0 GEADRO CN1CC[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923634247 654472877 /nfs/dbraw/zinc/47/28/77/654472877.db2.gz LGKASNSLPLMNLR-CPUCHLNUSA-N 1 0 389.924 2.143 20 0 GEADRO CC(C)(C)n1ncc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1Br ZINC000856254988 654473546 /nfs/dbraw/zinc/47/35/46/654473546.db2.gz GGXLNEYTTYFIBH-ZDUSSCGKSA-N 1 0 399.333 2.072 20 0 GEADRO COc1cc(F)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000923663573 654474622 /nfs/dbraw/zinc/47/46/22/654474622.db2.gz XOTGORNLBQYGLG-DTWKUNHWSA-N 1 0 388.358 2.121 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cnc(-c3ccccc3)s1)C2 ZINC000923674098 654475362 /nfs/dbraw/zinc/47/53/62/654475362.db2.gz LGJIJOJXPZEWAB-UHFFFAOYSA-N 1 0 392.531 2.472 20 0 GEADRO COC(=O)C1(C[NH2+]Cc2c(I)cnn2C)CCCCC1 ZINC000894447212 654476457 /nfs/dbraw/zinc/47/64/57/654476457.db2.gz YQAWXHZMOWIAFE-UHFFFAOYSA-N 1 0 391.253 2.238 20 0 GEADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000923683407 654476408 /nfs/dbraw/zinc/47/64/08/654476408.db2.gz PCOQWISGNZVDRY-UHFFFAOYSA-N 1 0 380.341 2.347 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1c(Cl)ccc(F)c1F)CC2 ZINC000923686864 654476911 /nfs/dbraw/zinc/47/69/11/654476911.db2.gz AUWMJXVRXVKBCJ-JTQLQIEISA-N 1 0 380.844 2.137 20 0 GEADRO CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)NCc1cnc(Cl)s1 ZINC000923691849 654477631 /nfs/dbraw/zinc/47/76/31/654477631.db2.gz WGEMYDPFWNGDPQ-CYBMUJFWSA-N 1 0 382.921 2.299 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000873889375 654478011 /nfs/dbraw/zinc/47/80/11/654478011.db2.gz YZCWKAASZIWCBY-LLVKDONJSA-N 1 0 398.301 2.435 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923697510 654478391 /nfs/dbraw/zinc/47/83/91/654478391.db2.gz ACBPGJVRABUWGQ-UWVGGRQHSA-N 1 0 395.294 2.202 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923698230 654478656 /nfs/dbraw/zinc/47/86/56/654478656.db2.gz DWWXCIUUXLHCIB-RYUDHWBXSA-N 1 0 391.331 2.453 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923698232 654478688 /nfs/dbraw/zinc/47/86/88/654478688.db2.gz DWWXCIUUXLHCIB-VXGBXAGGSA-N 1 0 391.331 2.453 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923699829 654479008 /nfs/dbraw/zinc/47/90/08/654479008.db2.gz LZCREWQYATTXDU-UWVGGRQHSA-N 1 0 395.294 2.202 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)cc1Cl ZINC000923701637 654479237 /nfs/dbraw/zinc/47/92/37/654479237.db2.gz HWXYKQKVCWZETQ-VHSXEESVSA-N 1 0 395.308 2.385 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923711855 654480024 /nfs/dbraw/zinc/48/00/24/654480024.db2.gz DZWIULACVPLZMW-NWDGAFQWSA-N 1 0 381.885 2.127 20 0 GEADRO CN1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@H+](C)CC1 ZINC000894501837 654481058 /nfs/dbraw/zinc/48/10/58/654481058.db2.gz HYLYOTKZVBNILA-DLBZAZTESA-N 1 0 395.345 2.194 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923730694 654481381 /nfs/dbraw/zinc/48/13/81/654481381.db2.gz HDUOEECTZQPXDV-CYBMUJFWSA-N 1 0 394.722 2.404 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c(Cl)cc1Cl ZINC000923735553 654481877 /nfs/dbraw/zinc/48/18/77/654481877.db2.gz AIGRUCCVUHIVAA-BDAKNGLRSA-N 1 0 381.281 2.186 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c(Br)c1 ZINC000923736686 654481909 /nfs/dbraw/zinc/48/19/09/654481909.db2.gz UBKHHYIKSVPPGJ-OAHLLOKOSA-N 1 0 389.315 2.364 20 0 GEADRO Cc1cc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)sn1 ZINC000923745715 654482507 /nfs/dbraw/zinc/48/25/07/654482507.db2.gz WIESTYBJJSAADO-UONOGXRCSA-N 1 0 379.507 2.123 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)s1 ZINC000923744656 654482694 /nfs/dbraw/zinc/48/26/94/654482694.db2.gz JNAYMHZZQKTKCQ-LBPRGKRZSA-N 1 0 380.491 2.251 20 0 GEADRO Cc1ccc(NC(=O)COC(=O)COC2CC[NH+](C)CC2)c(Br)c1 ZINC000923795520 654483688 /nfs/dbraw/zinc/48/36/88/654483688.db2.gz PBSVLDOGWRDUKK-UHFFFAOYSA-N 1 0 399.285 2.350 20 0 GEADRO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cn(C)nc1I)CC2 ZINC000894542085 654484534 /nfs/dbraw/zinc/48/45/34/654484534.db2.gz FVOSTCRMIFZEST-ZDUSSCGKSA-N 1 0 399.280 2.449 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(F)(F)c2ncccc2Br)CCSC1 ZINC000906899688 654484667 /nfs/dbraw/zinc/48/46/67/654484667.db2.gz BKXFAKCEPFDHNA-CYBMUJFWSA-N 1 0 394.285 2.489 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000894545178 654484753 /nfs/dbraw/zinc/48/47/53/654484753.db2.gz MGGOQUNTQYQRGV-CQSZACIVSA-N 1 0 377.270 2.446 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cnc(Br)cn2)CC1 ZINC000856723422 654486677 /nfs/dbraw/zinc/48/66/77/654486677.db2.gz QWEMUAPXDCQVCZ-UHFFFAOYSA-N 1 0 398.349 2.304 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2nscc2I)C1 ZINC000906915607 654487417 /nfs/dbraw/zinc/48/74/17/654487417.db2.gz MBNKIKIMJKLRMZ-RKDXNWHRSA-N 1 0 379.267 2.350 20 0 GEADRO O=C(NCc1ccc(Br)cn1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000923922973 654488540 /nfs/dbraw/zinc/48/85/40/654488540.db2.gz TZLKRIIXAYXYGB-ZIAGYGMSSA-N 1 0 385.331 2.223 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)oc1Cl ZINC000906927850 654488681 /nfs/dbraw/zinc/48/86/81/654488681.db2.gz GBGXGOHIJWRFIR-LBPRGKRZSA-N 1 0 390.889 2.359 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)oc1Cl ZINC000906963859 654493354 /nfs/dbraw/zinc/49/33/54/654493354.db2.gz SNQHFNJJPJVUDM-GFCCVEGCSA-N 1 0 390.889 2.359 20 0 GEADRO Brc1cnn(C2(c3nc(CC4=[NH+][C@@H]5CCCC[C@@H]5N4)no3)CC2)c1 ZINC000923961222 654493806 /nfs/dbraw/zinc/49/38/06/654493806.db2.gz IBQLPGVEHHZDGH-TXEJJXNPSA-N 1 0 391.273 2.421 20 0 GEADRO O=C([C@@H]1CC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1)N1CCCC1 ZINC000894780637 654498650 /nfs/dbraw/zinc/49/86/50/654498650.db2.gz HDEIIBCNABPPMD-CYBMUJFWSA-N 1 0 384.933 2.077 20 0 GEADRO O=C([C@H]1CC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1)N1CCCC1 ZINC000894780638 654498946 /nfs/dbraw/zinc/49/89/46/654498946.db2.gz HDEIIBCNABPPMD-ZDUSSCGKSA-N 1 0 384.933 2.077 20 0 GEADRO Cc1[nH+]ccc(NC[C@H]2CN(Cc3ccncc3)CCO2)c1Br ZINC000894811617 654500208 /nfs/dbraw/zinc/50/02/08/654500208.db2.gz PDMHSXYJPCESHQ-HNNXBMFYSA-N 1 0 377.286 2.282 20 0 GEADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000924089787 654500760 /nfs/dbraw/zinc/50/07/60/654500760.db2.gz GRMQZLSVEPWACG-UHFFFAOYSA-N 1 0 386.290 2.123 20 0 GEADRO Cn1cc(CN2CC[N@H+](C)Cc3ccccc32)c(I)n1 ZINC000894848774 654502371 /nfs/dbraw/zinc/50/23/71/654502371.db2.gz BGJCQIAGJQPTGA-UHFFFAOYSA-N 1 0 382.249 2.477 20 0 GEADRO Cc1cc(Br)c(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000907069355 654507053 /nfs/dbraw/zinc/50/70/53/654507053.db2.gz 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[NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000927887925 654619840 /nfs/dbraw/zinc/61/98/40/654619840.db2.gz FBJOLPNWKQQMMV-MRVPVSSYSA-N 1 0 392.656 2.377 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000927889013 654619883 /nfs/dbraw/zinc/61/98/83/654619883.db2.gz KLZJCFQQOFIZDW-VIFPVBQESA-N 1 0 379.766 2.374 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000927890441 654620336 /nfs/dbraw/zinc/62/03/36/654620336.db2.gz AQFICODQNVZJOH-VXGBXAGGSA-N 1 0 398.301 2.230 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[C@@H]1C[NH3+] ZINC000927892403 654620467 /nfs/dbraw/zinc/62/04/67/654620467.db2.gz FFOQKCYXWOLFPA-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC000927893813 654620708 /nfs/dbraw/zinc/62/07/08/654620708.db2.gz PDKUKOOCMQCSHV-NXEZZACHSA-N 1 0 375.803 2.323 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[C@@H]1C[NH3+] ZINC000927895582 654620931 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GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc(C2N=NC(=S)O2)cc1 ZINC000928086983 654629333 /nfs/dbraw/zinc/62/93/33/654629333.db2.gz ACUZTMAORHNCRH-KGLIPLIRSA-N 1 0 376.507 2.335 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc(C2N=NC(=S)O2)cc1 ZINC000928086985 654629493 /nfs/dbraw/zinc/62/94/93/654629493.db2.gz ACUZTMAORHNCRH-ZIAGYGMSSA-N 1 0 376.507 2.335 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H](O)c1cccc(Br)c1 ZINC000928096790 654630632 /nfs/dbraw/zinc/63/06/32/654630632.db2.gz BRZAMXGGVFKILR-ILXRZTDVSA-N 1 0 385.327 2.179 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(Br)c2nccn2c1 ZINC000928101744 654630985 /nfs/dbraw/zinc/63/09/85/654630985.db2.gz PXEFFDUWZFMHAW-KBPBESRZSA-N 1 0 395.326 2.406 20 0 GEADRO COc1ccc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1Br ZINC000908589944 654634578 /nfs/dbraw/zinc/63/45/78/654634578.db2.gz ZREOVBQIAIVMSF-UHFFFAOYSA-N 1 0 385.302 2.423 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000908586659 654634598 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C[C@H]1[C@@H](NC(=O)c2cc(I)c(F)cc2F)CC[N@@H+]1C ZINC000928440660 654647436 /nfs/dbraw/zinc/64/74/36/654647436.db2.gz MEMPIINENDGPPR-MADCSZMMSA-N 1 0 380.176 2.392 20 0 GEADRO C[C@@H]1[C@H](NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC[N@@H+]1C ZINC000928450299 654647872 /nfs/dbraw/zinc/64/78/72/654647872.db2.gz DHDKAFNNSDIKFN-MBNYWOFBSA-N 1 0 380.286 2.011 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000928456014 654648476 /nfs/dbraw/zinc/64/84/76/654648476.db2.gz JTDVJHXFZIIXOT-MLGOLLRUSA-N 1 0 387.933 2.193 20 0 GEADRO C[C@@H](C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@@H]1CCCO1 ZINC000909261043 654657477 /nfs/dbraw/zinc/65/74/77/654657477.db2.gz FWZBEBGEQFRTND-DOMZBBRYSA-N 1 0 397.317 2.350 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000909327488 654660146 /nfs/dbraw/zinc/66/01/46/654660146.db2.gz DMRCDYQLGFUIDR-QGZVFWFLSA-N 1 0 385.295 2.389 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)c1c(Br)nc2n1CCC2)c1cccnc1 ZINC000928828963 654661899 /nfs/dbraw/zinc/66/18/99/654661899.db2.gz SOLWJNMYSGABPD-CYBMUJFWSA-N 1 0 392.301 2.410 20 0 GEADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000909614316 654669616 /nfs/dbraw/zinc/66/96/16/654669616.db2.gz JUSOVVRJLZASNN-ZDUSSCGKSA-N 1 0 381.523 2.424 20 0 GEADRO C[N@@H+]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000929228452 654675991 /nfs/dbraw/zinc/67/59/91/654675991.db2.gz PRSHEOFIZARMEC-UHFFFAOYSA-N 1 0 377.286 2.472 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(CC(F)(F)F)C1=O)c1cccs1 ZINC000929336702 654679987 /nfs/dbraw/zinc/67/99/87/654679987.db2.gz SDUIDJIGEJMLSO-VXGBXAGGSA-N 1 0 377.432 2.268 20 0 GEADRO CC(C)(C)[NH2+]CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000929341548 654680261 /nfs/dbraw/zinc/68/02/61/654680261.db2.gz CZXUDBZMOYUUQJ-UHFFFAOYSA-N 1 0 393.962 2.013 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000929420814 654683230 /nfs/dbraw/zinc/68/32/30/654683230.db2.gz AGNITDWHKMMYAJ-UHFFFAOYSA-N 1 0 381.318 2.089 20 0 GEADRO C[NH+]1CCC(OCC(=O)Oc2cccc(I)c2)CC1 ZINC000929493204 654685801 /nfs/dbraw/zinc/68/58/01/654685801.db2.gz ZEBHQUJYKBZHFE-UHFFFAOYSA-N 1 0 375.206 2.307 20 0 GEADRO OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929613643 654688766 /nfs/dbraw/zinc/68/87/66/654688766.db2.gz GKKIZKDTDYWIQX-YOEHRIQHSA-N 1 0 378.296 2.080 20 0 GEADRO COC[C@@](C)(CCO)[NH2+]Cc1cc(OC)c(C(=O)OC)cc1Br ZINC000929826736 654692877 /nfs/dbraw/zinc/69/28/77/654692877.db2.gz ZTFSBZSQTMEFIQ-MRXNPFEDSA-N 1 0 390.274 2.121 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929887697 654694018 /nfs/dbraw/zinc/69/40/18/654694018.db2.gz VQUCOZXPQCRWPD-HNNXBMFYSA-N 1 0 398.301 2.300 20 0 GEADRO O=C(c1cc(Br)cn2ncnc12)N1CC[NH+](C2CCCC2)CC1 ZINC000929912999 654694741 /nfs/dbraw/zinc/69/47/41/654694741.db2.gz HBFUGOPQNBIWCF-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@H](C)C1 ZINC000910282257 654695108 /nfs/dbraw/zinc/69/51/08/654695108.db2.gz GGTNDOHNLDQDNY-LLVKDONJSA-N 1 0 396.285 2.336 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000910295027 654695351 /nfs/dbraw/zinc/69/53/51/654695351.db2.gz KTOULTWCVRSBOR-CYBMUJFWSA-N 1 0 382.302 2.122 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929955094 654695928 /nfs/dbraw/zinc/69/59/28/654695928.db2.gz KXTXKXOVGPQTGL-INIZCTEOSA-N 1 0 397.313 2.376 20 0 GEADRO O[C@H](C[N@H+](Cc1csc(Br)c1)C1CC1)C[C@]1(O)CCOC1 ZINC000930078145 654698659 /nfs/dbraw/zinc/69/86/59/654698659.db2.gz QFQWFAZJZDBECO-DZGCQCFKSA-N 1 0 376.316 2.377 20 0 GEADRO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C3)cs1 ZINC000930175149 654701152 /nfs/dbraw/zinc/70/11/52/654701152.db2.gz QUHFNCIKUBMCHS-KSSFIOAISA-N 1 0 380.535 2.441 20 0 GEADRO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H](O)C[C@]2(O)CCOC2)C3)cs1 ZINC000930175146 654701207 /nfs/dbraw/zinc/70/12/07/654701207.db2.gz QUHFNCIKUBMCHS-KBXCAEBGSA-N 1 0 380.535 2.441 20 0 GEADRO CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000930216521 654702228 /nfs/dbraw/zinc/70/22/28/654702228.db2.gz JSDBBFVUPFJGFH-NWDGAFQWSA-N 1 0 390.374 2.323 20 0 GEADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000910610215 654704733 /nfs/dbraw/zinc/70/47/33/654704733.db2.gz PLNJJOCPJPAHCD-GFCCVEGCSA-N 1 0 388.331 2.022 20 0 GEADRO CCN1CC[C@@H]([NH2+]CC2CN(S(C)(=O)=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000930356898 654706846 /nfs/dbraw/zinc/70/68/46/654706846.db2.gz LAMKLCYKBSUMOO-IAGOWNOFSA-N 1 0 389.924 2.095 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000930367851 654707362 /nfs/dbraw/zinc/70/73/62/654707362.db2.gz GXTHHMHQRQVQGU-AAEUAGOBSA-N 1 0 380.286 2.333 20 0 GEADRO CN(Cc1cscc1Br)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000910730127 654708828 /nfs/dbraw/zinc/70/88/28/654708828.db2.gz OUEMLVSFJXRZEZ-GFCCVEGCSA-N 1 0 388.331 2.022 20 0 GEADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000930497874 654711643 /nfs/dbraw/zinc/71/16/43/654711643.db2.gz TVYBWNJFSQOWIZ-AEGPPILISA-N 1 0 386.480 2.478 20 0 GEADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930668214 654716515 /nfs/dbraw/zinc/71/65/15/654716515.db2.gz WJNDVUHQJZBHIC-LMKPVCQUSA-N 1 0 378.416 2.075 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000911114166 654717244 /nfs/dbraw/zinc/71/72/44/654717244.db2.gz VTKYVKHCBSGEFA-LALPHHSUSA-N 1 0 381.929 2.355 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911136219 654718039 /nfs/dbraw/zinc/71/80/39/654718039.db2.gz YYOZRCHKLFKZDZ-OUCADQQQSA-N 1 0 386.323 2.484 20 0 GEADRO C[C@H](NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)c1cc(Cl)ccc1Cl ZINC000911135821 654718054 /nfs/dbraw/zinc/71/80/54/654718054.db2.gz WRPKAGSXOYVYAM-NSHDSACASA-N 1 0 388.295 2.137 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2cc3cc(Br)cnc3n2C)CC1 ZINC000930716289 654718100 /nfs/dbraw/zinc/71/81/00/654718100.db2.gz WZXBYGJBNKWAHG-UHFFFAOYSA-N 1 0 395.301 2.176 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911138737 654718249 /nfs/dbraw/zinc/71/82/49/654718249.db2.gz UWKKWWLIRYDXQT-ZIAGYGMSSA-N 1 0 396.329 2.044 20 0 GEADRO [NH3+][C@H]1CN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)CC[C@H]1C(F)(F)F ZINC000911338949 654722586 /nfs/dbraw/zinc/72/25/86/654722586.db2.gz SKNHKXIUVKOJKT-KOLCDFICSA-N 1 0 398.212 2.348 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000911369904 654723257 /nfs/dbraw/zinc/72/32/57/654723257.db2.gz HBGBZHWZBYYSNN-MLGOLLRUSA-N 1 0 381.929 2.147 20 0 GEADRO C[C@]12CC[N@H+](C[C@@H](O)C3(O)CCC3)C[C@H]1C2(Br)Br ZINC000930925810 654723510 /nfs/dbraw/zinc/72/35/10/654723510.db2.gz MZHGLMHWJWKNFZ-MXWKQRLJSA-N 1 0 383.124 2.090 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000911381427 654723562 /nfs/dbraw/zinc/72/35/62/654723562.db2.gz WMEPDLOBOVTLME-KGLIPLIRSA-N 1 0 377.535 2.310 20 0 GEADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000911429022 654723925 /nfs/dbraw/zinc/72/39/25/654723925.db2.gz QAWSDBRAWWCKBJ-ZFWWWQNUSA-N 1 0 396.329 2.002 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000930950683 654724560 /nfs/dbraw/zinc/72/45/60/654724560.db2.gz SBFLYFOZEXAFJQ-UHFFFAOYSA-N 1 0 394.313 2.070 20 0 GEADRO COc1cc(OC)c(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Br ZINC000930975986 654725258 /nfs/dbraw/zinc/72/52/58/654725258.db2.gz MLVCUIXIRZMWRL-PHIMTYICSA-N 1 0 384.274 2.492 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccccc1SC(F)(F)F ZINC000911534378 654725683 /nfs/dbraw/zinc/72/56/83/654725683.db2.gz MSMCPDVYVNWSHI-GFCCVEGCSA-N 1 0 375.416 2.029 20 0 GEADRO COC[C@@H](C[NH+]1CCC(n2nncc2I)CC1)C(C)C ZINC000931016231 654726505 /nfs/dbraw/zinc/72/65/05/654726505.db2.gz ZVWURMDQRKCJDD-GFCCVEGCSA-N 1 0 392.285 2.438 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)CC2)C1 ZINC000931049582 654727699 /nfs/dbraw/zinc/72/76/99/654727699.db2.gz QELCBNUWRUOTOT-LLVKDONJSA-N 1 0 377.436 2.406 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)Nc1ccccc1-c1cccs1 ZINC000911645474 654729016 /nfs/dbraw/zinc/72/90/16/654729016.db2.gz COGKNMOPAMKQIO-MRRJBJDNSA-N 1 0 376.503 2.376 20 0 GEADRO Cc1c(C(=O)N2CCC(C[NH3+])CC2)nnn1-c1ccccc1Br ZINC000911670094 654729485 /nfs/dbraw/zinc/72/94/85/654729485.db2.gz HPNYDRLFAVXPML-UHFFFAOYSA-N 1 0 378.274 2.149 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)C1 ZINC000931136741 654730144 /nfs/dbraw/zinc/73/01/44/654730144.db2.gz RORMCIMDJQUTKJ-GRYCIOLGSA-N 1 0 389.905 2.058 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000931140609 654730365 /nfs/dbraw/zinc/73/03/65/654730365.db2.gz QOFHFXBOZKQWRY-UHFFFAOYSA-N 1 0 381.274 2.351 20 0 GEADRO Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)nnn1-c1ccccc1Br ZINC000911721226 654730692 /nfs/dbraw/zinc/73/06/92/654730692.db2.gz UKUPAGMLDFAPEX-AAEUAGOBSA-N 1 0 392.301 2.456 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000911779067 654731873 /nfs/dbraw/zinc/73/18/73/654731873.db2.gz MRJJIVKBDKFXOF-ZDUSSCGKSA-N 1 0 380.286 2.333 20 0 GEADRO CC(C)(CO)[NH+]1CCN(c2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911916673 654735889 /nfs/dbraw/zinc/73/58/89/654735889.db2.gz BTUOUGHHSLBLDT-UHFFFAOYSA-N 1 0 381.274 2.392 20 0 GEADRO [NH3+]CCCSCCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000911919705 654736193 /nfs/dbraw/zinc/73/61/93/654736193.db2.gz QADWBIUIIHMZOC-UHFFFAOYSA-N 1 0 385.555 2.272 20 0 GEADRO C[C@@H](CCc1ccccc1)NC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911931313 654736422 /nfs/dbraw/zinc/73/64/22/654736422.db2.gz MJZJFQCDFDXHIE-ZDUSSCGKSA-N 1 0 392.297 2.321 20 0 GEADRO Cc1ccc(OCCC(=O)N(CCO)C2CC[NH+](C)CC2)c(Br)c1 ZINC000911936109 654736650 /nfs/dbraw/zinc/73/66/50/654736650.db2.gz DIMCFVTWCAFHDV-UHFFFAOYSA-N 1 0 399.329 2.442 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000911942074 654736892 /nfs/dbraw/zinc/73/68/92/654736892.db2.gz KALGNZCMKFKWHY-DLBZAZTESA-N 1 0 381.314 2.468 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)CCc2cccc(F)c2Br)CC1 ZINC000911942987 654737263 /nfs/dbraw/zinc/73/72/63/654737263.db2.gz RUMGVKKJKCDOQW-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000911950859 654737459 /nfs/dbraw/zinc/73/74/59/654737459.db2.gz CQOFQLUXZICOGF-ZDSQKVDBSA-N 1 0 396.818 2.320 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@@H]([NH3+])CCSC)ccc1C ZINC000911949356 654737527 /nfs/dbraw/zinc/73/75/27/654737527.db2.gz XRHYMEIRKMBQFG-AWEZNQCLSA-N 1 0 387.571 2.435 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)Cc1csc(C[NH3+])n1 ZINC000912028582 654740143 /nfs/dbraw/zinc/74/01/43/654740143.db2.gz BTXZXXJLVMIDSE-UHFFFAOYSA-N 1 0 397.298 2.004 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000912033328 654740332 /nfs/dbraw/zinc/74/03/32/654740332.db2.gz UCCDOIGSRKBLBM-UHFFFAOYSA-N 1 0 396.285 2.185 20 0 GEADRO CCO[C@@H](CNC(=O)Nc1ccc2nccnc2c1Br)C[NH+](C)C ZINC000931389445 654740554 /nfs/dbraw/zinc/74/05/54/654740554.db2.gz DOOBPALPQJSFEX-NSHDSACASA-N 1 0 396.289 2.481 20 0 GEADRO CCC[N@@H+]1CCC[C@@H](C(=O)NN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000912049562 654741089 /nfs/dbraw/zinc/74/10/89/654741089.db2.gz WWMVUCBAHFOGIM-LLVKDONJSA-N 1 0 394.269 2.198 20 0 GEADRO C[NH+]1CCC(CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000931433139 654742467 /nfs/dbraw/zinc/74/24/67/654742467.db2.gz PZWJEPYQHAYCRD-AWEZNQCLSA-N 1 0 380.286 2.333 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931484159 654743654 /nfs/dbraw/zinc/74/36/54/654743654.db2.gz OHXKLNRXWLHULW-CYBMUJFWSA-N 1 0 384.318 2.165 20 0 GEADRO [NH3+][C@H](CC(=O)NCCCOC[C@H]1CCCO1)Cc1ccc(Br)cc1 ZINC000912134665 654743618 /nfs/dbraw/zinc/74/36/18/654743618.db2.gz RIJOWOQRPRUPPQ-DLBZAZTESA-N 1 0 399.329 2.411 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)N2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000931484738 654743682 /nfs/dbraw/zinc/74/36/82/654743682.db2.gz QMNSOKKODAELOW-AWEZNQCLSA-N 1 0 398.345 2.473 20 0 GEADRO O[C@@H](CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1)c1cc(Br)no1 ZINC000931494544 654744061 /nfs/dbraw/zinc/74/40/61/654744061.db2.gz XNUWMJMSOBJLFA-KKUMJFAQSA-N 1 0 378.270 2.429 20 0 GEADRO OCCCCC[NH+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000931495490 654744193 /nfs/dbraw/zinc/74/41/93/654744193.db2.gz AUFJLOHDJHAYMN-KRWDZBQOSA-N 1 0 389.309 2.402 20 0 GEADRO CN1CC[NH2+]C[C@H]1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000912168284 654744557 /nfs/dbraw/zinc/74/45/57/654744557.db2.gz FOEWXDUEFLZFGF-AWEZNQCLSA-N 1 0 395.326 2.339 20 0 GEADRO CC(C)[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)c1ccc(Cl)cc1 ZINC000912180950 654745325 /nfs/dbraw/zinc/74/53/25/654745325.db2.gz LZVMDDKWDFGTAX-IIVZCXTMSA-N 1 0 384.929 2.176 20 0 GEADRO [NH3+]CCN1CCC[C@H](C(=O)Nc2ccccc2SCC(F)(F)F)C1=O ZINC000912193783 654745566 /nfs/dbraw/zinc/74/55/66/654745566.db2.gz NCUANWAPKOKQGK-LLVKDONJSA-N 1 0 375.416 2.477 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc(Br)c(C2CC2)n1 ZINC000931546323 654746013 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CC(=O)N[C@@H](CC(=O)N1CC([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000912326741 654750196 /nfs/dbraw/zinc/75/01/96/654750196.db2.gz MTAQBAHYEOLMBB-KRWDZBQOSA-N 1 0 394.313 2.323 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000931648758 654750956 /nfs/dbraw/zinc/75/09/56/654750956.db2.gz RTNBDXIUMBDSNQ-GFCCVEGCSA-N 1 0 381.278 2.438 20 0 GEADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@@H](O)c1cccc(Br)c1 ZINC000912353085 654751026 /nfs/dbraw/zinc/75/10/26/654751026.db2.gz PULMVMOBHMCQSL-KRWDZBQOSA-N 1 0 397.313 2.242 20 0 GEADRO COC1(OC)CCOC[C@@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000931668246 654752234 /nfs/dbraw/zinc/75/22/34/654752234.db2.gz OUCRZUJBOZPFRD-FZMZJTMJSA-N 1 0 380.268 2.101 20 0 GEADRO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(I)cc1 ZINC000931671196 654752531 /nfs/dbraw/zinc/75/25/31/654752531.db2.gz YFFQCKADSKTFKN-CYBMUJFWSA-N 1 0 377.222 2.159 20 0 GEADRO CN1CCN(C(=O)Nc2ccc(SC(F)(F)F)nc2)CC[N@H+](C)CC1 ZINC000931722347 654754425 /nfs/dbraw/zinc/75/44/25/654754425.db2.gz 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O=C(NCc1ccnc(Br)c1)C1CCC([NH+]2CCOCC2)CC1 ZINC000913081116 654782070 /nfs/dbraw/zinc/78/20/70/654782070.db2.gz WCWPNCCAXDERRZ-UHFFFAOYSA-N 1 0 382.302 2.351 20 0 GEADRO CSCC1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000932585166 654782837 /nfs/dbraw/zinc/78/28/37/654782837.db2.gz HMHXZXPMAUEPSB-OAHLLOKOSA-N 1 0 378.604 2.063 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1nscc1I ZINC000913159179 654785602 /nfs/dbraw/zinc/78/56/02/654785602.db2.gz KNRIUSABYOLSIS-SNVBAGLBSA-N 1 0 391.278 2.494 20 0 GEADRO COc1cc(Br)cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000932714700 654786241 /nfs/dbraw/zinc/78/62/41/654786241.db2.gz PEVJCIFYUNVLLW-ZDUSSCGKSA-N 1 0 384.318 2.071 20 0 GEADRO C[C@H](CNC(=O)c1ncc(C(F)(F)F)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000932716127 654786287 /nfs/dbraw/zinc/78/62/87/654786287.db2.gz YKNCOLBJBDVFAL-LLVKDONJSA-N 1 0 378.826 2.367 20 0 GEADRO C[C@@H](CNC(=O)c1cc(F)cc(Br)c1F)C[NH+]1CCN(C)CC1 ZINC000932714978 654786302 /nfs/dbraw/zinc/78/63/02/654786302.db2.gz XVTVBMZGWUIMIS-NSHDSACASA-N 1 0 390.272 2.341 20 0 GEADRO C[C@@H](CNC(=O)c1ncc(C(F)(F)F)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000932716128 654786345 /nfs/dbraw/zinc/78/63/45/654786345.db2.gz YKNCOLBJBDVFAL-NSHDSACASA-N 1 0 378.826 2.367 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913288195 654787627 /nfs/dbraw/zinc/78/76/27/654787627.db2.gz NIBYJDXKYWBBIT-IAGOWNOFSA-N 1 0 381.318 2.324 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913288194 654787766 /nfs/dbraw/zinc/78/77/66/654787766.db2.gz NIBYJDXKYWBBIT-CALCHBBNSA-N 1 0 381.318 2.324 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C)([NH+](C)C)CC2)c1 ZINC000913401376 654790400 /nfs/dbraw/zinc/79/04/00/654790400.db2.gz LOMVYDHRPMFUBZ-UHFFFAOYSA-N 1 0 387.933 2.147 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000932795218 654791004 /nfs/dbraw/zinc/79/10/04/654791004.db2.gz IPCWPHVZMYDKSB-DGCLKSJQSA-N 1 0 380.286 2.285 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1 ZINC000913426269 654791530 /nfs/dbraw/zinc/79/15/30/654791530.db2.gz OBMUVRXTDMSYRY-LIRZEXBASA-N 1 0 379.298 2.050 20 0 GEADRO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932816202 654791896 /nfs/dbraw/zinc/79/18/96/654791896.db2.gz SVFFEXJGTRZYPT-RDJZCZTQSA-N 1 0 386.286 2.047 20 0 GEADRO COc1ncc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)c1Br ZINC000932947110 654795775 /nfs/dbraw/zinc/79/57/75/654795775.db2.gz YVOTXQNITNJNIZ-NWDGAFQWSA-N 1 0 399.289 2.146 20 0 GEADRO NS(=O)(=O)C[C@@H]1CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000932946857 654795855 /nfs/dbraw/zinc/79/58/55/654795855.db2.gz IZNHSCFOFDTOFA-GFCCVEGCSA-N 1 0 389.315 2.022 20 0 GEADRO COc1ccc(CCC(=O)N2CCC(O)(C[NH+](C)C)CC2)c(Br)c1 ZINC000913676373 654803783 /nfs/dbraw/zinc/80/37/83/654803783.db2.gz VAJNJAJTAYCBFP-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000913678664 654803948 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C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000933440342 654813597 /nfs/dbraw/zinc/81/35/97/654813597.db2.gz KSEOEUXXTNNJCG-DOTOQJQBSA-N 1 0 383.286 2.315 20 0 GEADRO CNS(=O)(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)cc1 ZINC000933441219 654813605 /nfs/dbraw/zinc/81/36/05/654813605.db2.gz CWIJREOWPLGZIG-GOSISDBHSA-N 1 0 382.913 2.331 20 0 GEADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000933442650 654813642 /nfs/dbraw/zinc/81/36/42/654813642.db2.gz MOGZOSVANRULGC-GOSISDBHSA-N 1 0 382.913 2.113 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1cnc(Br)cn1)Cc1ccccc1 ZINC000913888852 654814090 /nfs/dbraw/zinc/81/40/90/654814090.db2.gz MYZQDVXWOZOWGV-HNNXBMFYSA-N 1 0 392.301 2.211 20 0 GEADRO CC[NH+]1CCC(NC(=O)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000913895228 654814355 /nfs/dbraw/zinc/81/43/55/654814355.db2.gz LUZQZKGKBBWHDN-UHFFFAOYSA-N 1 0 382.306 2.402 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000933626826 654818079 /nfs/dbraw/zinc/81/80/79/654818079.db2.gz FNVBWEZRRAFTIH-UHFFFAOYSA-N 1 0 398.349 2.161 20 0 GEADRO Cn1cc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(Br)n1 ZINC000914073430 654824876 /nfs/dbraw/zinc/82/48/76/654824876.db2.gz LISWTMJNTDDLOS-LBPRGKRZSA-N 1 0 386.319 2.346 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCCSC[C@H]2C2CC2)CCC1 ZINC000933911159 654829574 /nfs/dbraw/zinc/82/95/74/654829574.db2.gz AQUGRMPLJLQMHO-HOTGVXAUSA-N 1 0 390.615 2.205 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1(c2ncc(Br)cn2)CCC1 ZINC000914162892 654830909 /nfs/dbraw/zinc/83/09/09/654830909.db2.gz SNGAHCLRONOEGK-GFCCVEGCSA-N 1 0 394.317 2.402 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000933929004 654831286 /nfs/dbraw/zinc/83/12/86/654831286.db2.gz IBNRSVVZTHRCOF-AAEUAGOBSA-N 1 0 380.286 2.333 20 0 GEADRO COCCOc1ccc(NC(=O)NCCn2ccnc2)cc1Br ZINC000933976362 654832345 /nfs/dbraw/zinc/83/23/45/654832345.db2.gz OWHPOEJDMWPSAN-UHFFFAOYSA-N 1 0 383.246 2.493 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2(n3cc(Br)cn3)CC2)C1 ZINC000934002038 654833940 /nfs/dbraw/zinc/83/39/40/654833940.db2.gz PVSOTQFZUPTNGG-OAHLLOKOSA-N 1 0 399.333 2.094 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccccc2SC(F)(F)F)C1 ZINC000934177099 654837870 /nfs/dbraw/zinc/83/78/70/654837870.db2.gz YMBAHNYKRNFZDK-GFCCVEGCSA-N 1 0 375.416 2.125 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000914247769 654838746 /nfs/dbraw/zinc/83/87/46/654838746.db2.gz KWCSWZDFWUKHHJ-UHFFFAOYSA-N 1 0 396.333 2.308 20 0 GEADRO C[C@](Cn1cccn1)([NH2+]CCCCOc1ccc(Br)cc1)C(N)=O ZINC000934219158 654839086 /nfs/dbraw/zinc/83/90/86/654839086.db2.gz IIRPISQODAXEIC-QGZVFWFLSA-N 1 0 395.301 2.338 20 0 GEADRO C[NH+]1CCC(OCC(=O)Nc2ccc(F)cc2I)CC1 ZINC000934240987 654839364 /nfs/dbraw/zinc/83/93/64/654839364.db2.gz ZZOQXZLCNJGOPR-UHFFFAOYSA-N 1 0 392.212 2.480 20 0 GEADRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000934236163 654839380 /nfs/dbraw/zinc/83/93/80/654839380.db2.gz MFQNIPYVYOLBSK-LBPRGKRZSA-N 1 0 381.885 2.298 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000914259907 654839617 /nfs/dbraw/zinc/83/96/17/654839617.db2.gz FFZSXZVGIHJFQF-MGPQQGTHSA-N 1 0 381.464 2.319 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1nnc(-c2ccc(Br)o2)o1 ZINC000934251150 654839821 /nfs/dbraw/zinc/83/98/21/654839821.db2.gz AOCTWNADQOLAGK-NWDGAFQWSA-N 1 0 397.273 2.123 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934261223 654840838 /nfs/dbraw/zinc/84/08/38/654840838.db2.gz PYSMFLSGTVBGQO-COXVUDFISA-N 1 0 396.329 2.307 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2CCOc1cc(F)cc(Br)c1 ZINC000934264111 654841295 /nfs/dbraw/zinc/84/12/95/654841295.db2.gz FZJZJKRUECAEEX-DLBZAZTESA-N 1 0 387.293 2.498 20 0 GEADRO COC(=O)c1ccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000934266936 654841884 /nfs/dbraw/zinc/84/18/84/654841884.db2.gz ADCMFWFZOFBYLE-SJORKVTESA-N 1 0 397.313 2.267 20 0 GEADRO COC(=O)c1ccc(Br)c(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000934271439 654842484 /nfs/dbraw/zinc/84/24/84/654842484.db2.gz FWWFVAMRNULEFR-DLBZAZTESA-N 1 0 397.313 2.267 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1ccsc1C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000934307757 654843680 /nfs/dbraw/zinc/84/36/80/654843680.db2.gz QZHRUOMPJUHEPF-NSHDSACASA-N 1 0 380.482 2.267 20 0 GEADRO Cc1csc(C)c1S(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000914349882 654847527 /nfs/dbraw/zinc/84/75/27/654847527.db2.gz SBMLMYCAFQNWLU-KRWDZBQOSA-N 1 0 380.535 2.410 20 0 GEADRO O=C(Nc1c(Br)cnn1C1CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000934377741 654848431 /nfs/dbraw/zinc/84/84/31/654848431.db2.gz WMZDCCJYTNICOV-UONOGXRCSA-N 1 0 398.305 2.043 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc2cc(Br)cnc2n1C ZINC000934386223 654848635 /nfs/dbraw/zinc/84/86/35/654848635.db2.gz UYCBJYURZHNPKI-CQSZACIVSA-N 1 0 397.317 2.422 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cscc2C(F)F)CC1 ZINC000914388740 654850120 /nfs/dbraw/zinc/85/01/20/654850120.db2.gz BXQRTRHQEDSMLB-UHFFFAOYSA-N 1 0 381.514 2.380 20 0 GEADRO C[C@](CO)([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000934497622 654851166 /nfs/dbraw/zinc/85/11/66/654851166.db2.gz WVFJYVXBTFXHQW-OAHLLOKOSA-N 1 0 376.316 2.071 20 0 GEADRO C[C@](CO)([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000934496962 654851175 /nfs/dbraw/zinc/85/11/75/654851175.db2.gz FLNKGGKGDFJIOH-SJLPKXTDSA-N 1 0 397.313 2.026 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C ZINC000914443257 654854769 /nfs/dbraw/zinc/85/47/69/654854769.db2.gz LTFHEGDHJXGJOU-SOUVJXGZSA-N 1 0 387.571 2.136 20 0 GEADRO Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cnc1Br ZINC000934786111 654859898 /nfs/dbraw/zinc/85/98/98/654859898.db2.gz VXWUTDSFRKTSSY-HNNXBMFYSA-N 1 0 382.302 2.479 20 0 GEADRO OC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1I ZINC000934828928 654862598 /nfs/dbraw/zinc/86/25/98/654862598.db2.gz VEEWLSIEICJERU-LDYMZIIASA-N 1 0 389.155 2.228 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1=O ZINC000934895863 654865512 /nfs/dbraw/zinc/86/55/12/654865512.db2.gz XVAOFEQSUNKWGM-UHFFFAOYSA-N 1 0 382.302 2.238 20 0 GEADRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000915625858 654875416 /nfs/dbraw/zinc/87/54/16/654875416.db2.gz BUGVOTAAWMYUFB-AWEZNQCLSA-N 1 0 385.302 2.465 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc3cc(Br)cnc3n2C)C[C@H]1[NH+](C)C ZINC000935115259 654876604 /nfs/dbraw/zinc/87/66/04/654876604.db2.gz XMNDMIBOFWYLFT-KGLIPLIRSA-N 1 0 397.342 2.453 20 0 GEADRO CS[C@H]1CN(C(=O)c2nc(Br)c3ccccn32)C[C@@H]1[NH+](C)C ZINC000935115184 654876807 /nfs/dbraw/zinc/87/68/07/654876807.db2.gz WDRNRMLJTFUTGL-RYUDHWBXSA-N 1 0 383.315 2.214 20 0 GEADRO C[C@@H]1CN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)[C@@H](C)C[N@@H+]1C ZINC000935189515 654881202 /nfs/dbraw/zinc/88/12/02/654881202.db2.gz KEIGDUMKCJHTOA-UHIISALHSA-N 1 0 380.286 2.426 20 0 GEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000915910978 654882357 /nfs/dbraw/zinc/88/23/57/654882357.db2.gz RBDBJRKAJDWWBV-MRXNPFEDSA-N 1 0 385.339 2.427 20 0 GEADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ncc(Br)cn1 ZINC000935228757 654882441 /nfs/dbraw/zinc/88/24/41/654882441.db2.gz WHMXLTXRBABEDE-UHFFFAOYSA-N 1 0 376.258 2.281 20 0 GEADRO CS[C@H]1CN(C(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000935367722 654889863 /nfs/dbraw/zinc/88/98/63/654889863.db2.gz NVYDLHBJIXABSF-STQMWFEESA-N 1 0 375.416 2.458 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)cnc1C1CC1 ZINC000935444896 654893666 /nfs/dbraw/zinc/89/36/66/654893666.db2.gz FUITXXKCTBMOOM-CYBMUJFWSA-N 1 0 395.345 2.477 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)n1 ZINC000935444740 654893817 /nfs/dbraw/zinc/89/38/17/654893817.db2.gz AQBCGTDQEAZABJ-ZDUSSCGKSA-N 1 0 398.349 2.118 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(F)cc(Br)c1F ZINC000935446375 654893965 /nfs/dbraw/zinc/89/39/65/654893965.db2.gz SYTWFKKQRACRDM-LLVKDONJSA-N 1 0 390.272 2.483 20 0 GEADRO Cc1cc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cnc1Br ZINC000935698242 654911374 /nfs/dbraw/zinc/91/13/74/654911374.db2.gz JGOIULVBBWBONY-CYBMUJFWSA-N 1 0 382.302 2.478 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000935830618 654920023 /nfs/dbraw/zinc/92/00/23/654920023.db2.gz XQPREJJHMSDHRI-OAHLLOKOSA-N 1 0 383.286 2.500 20 0 GEADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935931783 654928039 /nfs/dbraw/zinc/92/80/39/654928039.db2.gz FBHMKASQMKTUCH-TZMCWYRMSA-N 1 0 393.285 2.032 20 0 GEADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)C(F)(F)c1cccc(Br)c1 ZINC000935984397 654932172 /nfs/dbraw/zinc/93/21/72/654932172.db2.gz MGSNBAAAMNGXSU-KGLIPLIRSA-N 1 0 389.240 2.208 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)n1 ZINC000936064467 654935970 /nfs/dbraw/zinc/93/59/70/654935970.db2.gz OWUXXVVDNCXZQI-CYBMUJFWSA-N 1 0 382.302 2.478 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3scnc3Cl)C2)CC[N@@H+]1C ZINC000949536086 654939310 /nfs/dbraw/zinc/93/93/10/654939310.db2.gz VZRKXWIQSPBVGZ-YVECIDJPSA-N 1 0 384.933 2.104 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cc(Cl)cs4)[C@@H]3C2)CC[N@@H+]1C ZINC000972146163 654941610 /nfs/dbraw/zinc/94/16/10/654941610.db2.gz CEUJIOIPKRGHSO-QHSBEEBCSA-N 1 0 381.929 2.415 20 0 GEADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164405756 718840169 /nfs/dbraw/zinc/84/01/69/718840169.db2.gz PMADFWBNQYTVFP-AWEZNQCLSA-N 1 0 379.842 2.436 20 0 GEADRO c1cc(N2CCCCC2)ccc1-c1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nn1 ZINC001164399826 718842316 /nfs/dbraw/zinc/84/23/16/718842316.db2.gz HHKQJYASRRBKJX-HXUWFJFHSA-N 1 0 378.524 2.228 20 0 GEADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164407621 718850864 /nfs/dbraw/zinc/85/08/64/718850864.db2.gz QOFPJWUBKUVHMP-BJOHPYRUSA-N 1 0 389.233 2.500 20 0 GEADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164402141 718852016 /nfs/dbraw/zinc/85/20/16/718852016.db2.gz FEIZOMDZQXEBQX-PSLIRLAXSA-N 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O=C1N(c2cncnc2)CC[C@]12CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001165017516 721785252 /nfs/dbraw/zinc/78/52/52/721785252.db2.gz HKBKLANGWFJIEC-QFIPXVFZSA-N 1 0 392.507 2.491 20 0 GEADRO CC(C)Oc1cc[nH+]c(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC001164915641 721785834 /nfs/dbraw/zinc/78/58/34/721785834.db2.gz MIGKZHABXQDSGK-QFIPXVFZSA-N 1 0 398.507 2.372 20 0 GEADRO COC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001165023426 721800304 /nfs/dbraw/zinc/80/03/04/721800304.db2.gz JTQZGGZVBWOHLK-IEZWGBDMSA-N 1 0 381.480 2.395 20 0 GEADRO COC(=O)c1nccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027491 721804327 /nfs/dbraw/zinc/80/43/27/721804327.db2.gz VYCJFNZATZMKKO-RYQLBKOJSA-N 1 0 381.480 2.395 20 0 GEADRO Cn1cnc2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc21 ZINC001165028266 721810037 /nfs/dbraw/zinc/81/00/37/721810037.db2.gz WTYUJZMMBVCWPB-VDZJLULYSA-N 1 0 377.496 2.495 20 0 GEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3ncn(C)c32)CC1 ZINC001165019233 721839089 /nfs/dbraw/zinc/83/90/89/721839089.db2.gz AOJARGWGETWDOJ-UHFFFAOYSA-N 1 0 396.495 2.481 20 0 GEADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164929738 721850032 /nfs/dbraw/zinc/85/00/32/721850032.db2.gz QIBRFQQLCCSDBQ-JKSUJKDBSA-N 1 0 380.920 2.435 20 0 GEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncccc1C(=O)NC1CCCCC1 ZINC001164931817 721851398 /nfs/dbraw/zinc/85/13/98/721851398.db2.gz WKWBAVUKRCAYNF-VQTJNVASSA-N 1 0 385.556 2.359 20 0 GEADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164928854 721857803 /nfs/dbraw/zinc/85/78/03/721857803.db2.gz OSRICYCSOTWSQW-CABCVRRESA-N 1 0 380.920 2.435 20 0 GEADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001164922347 721867738 /nfs/dbraw/zinc/86/77/38/721867738.db2.gz FUWCXDKPEZRLOJ-IAGOWNOFSA-N 1 0 393.963 2.432 20 0 GEADRO CC1CCN(C(=O)c2cccnc2N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CC1 ZINC001164935919 721878655 /nfs/dbraw/zinc/87/86/55/721878655.db2.gz YGWZXRNAKUIZNU-VQTJNVASSA-N 1 0 385.556 2.168 20 0 GEADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2c1CCC2 ZINC001164933035 721884900 /nfs/dbraw/zinc/88/49/00/721884900.db2.gz LDVVCQNUNFPHOI-UXHICEINSA-N 1 0 378.524 2.242 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3CN(S(C)(=O)=O)C[C@H]32)nc1 ZINC001164954917 721985751 /nfs/dbraw/zinc/98/57/51/721985751.db2.gz XVUHONGOZRVVMF-IPMKNSEASA-N 1 0 392.569 2.489 20 0 GEADRO COC(=O)c1cc2ccncc2nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055345 722013728 /nfs/dbraw/zinc/01/37/28/722013728.db2.gz FPKGOUPUJFJJHW-UHFFFAOYSA-N 1 0 377.448 2.176 20 0 GEADRO c1cc2ncc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2[nH]1 ZINC001164961928 722051761 /nfs/dbraw/zinc/05/17/61/722051761.db2.gz ZBNGHHPWLRBYNK-UHFFFAOYSA-N 1 0 378.480 2.472 20 0 GEADRO COC(=O)c1cccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960516 722052410 /nfs/dbraw/zinc/05/24/10/722052410.db2.gz QWBSTSLUUOYEPS-UHFFFAOYSA-N 1 0 396.491 2.382 20 0 GEADRO COc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C)n1 ZINC001164962178 722055821 /nfs/dbraw/zinc/05/58/21/722055821.db2.gz ARRKOFIUCZJDJS-UHFFFAOYSA-N 1 0 383.496 2.308 20 0 GEADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4cc5c(nn4)CCOC5)CC3)C2)ccn1 ZINC001164963308 722061330 /nfs/dbraw/zinc/06/13/30/722061330.db2.gz WKYVMHQVMJLTBU-UHFFFAOYSA-N 1 0 395.507 2.063 20 0 GEADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967136 722074582 /nfs/dbraw/zinc/07/45/82/722074582.db2.gz KTZIGRRQZKAKLR-OYIOLJDGSA-N 1 0 382.464 2.049 20 0 GEADRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NC1CC1 ZINC001164975546 722099087 /nfs/dbraw/zinc/09/90/87/722099087.db2.gz CIOVBYRKHYEEKA-ICSRJNTNSA-N 1 0 394.523 2.482 20 0 GEADRO COc1cnnc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981727 722115543 /nfs/dbraw/zinc/11/55/43/722115543.db2.gz UXYGURRQHIYQGD-RDJZCZTQSA-N 1 0 389.887 2.261 20 0 GEADRO CC(C)Oc1cncc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982556 722143811 /nfs/dbraw/zinc/14/38/11/722143811.db2.gz RPNUFNGEWJMPKS-MOPGFXCFSA-N 1 0 383.496 2.386 20 0 GEADRO c1nnc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)o1 ZINC001164981601 722146712 /nfs/dbraw/zinc/14/67/12/722146712.db2.gz POOGQFBUWQHVLL-OALUTQOASA-N 1 0 392.463 2.254 20 0 GEADRO NS(=O)(=O)c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164995906 722197694 /nfs/dbraw/zinc/19/76/94/722197694.db2.gz ZHUSNDNJKLXFJP-LJQANCHMSA-N 1 0 390.484 2.113 20 0 GEADRO C[NH+](C)Cc1ccnc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)c1 ZINC001165000295 722249975 /nfs/dbraw/zinc/24/99/75/722249975.db2.gz GRZMZQQDUUMOOY-NRFANRHFSA-N 1 0 384.480 2.248 20 0 GEADRO COc1cc(Cl)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001164999801 722252979 /nfs/dbraw/zinc/25/29/79/722252979.db2.gz GFBDIHVEMIDKFT-UHFFFAOYSA-N 1 0 379.892 2.429 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)cnc1Cl)CCC2 ZINC001165000907 722253035 /nfs/dbraw/zinc/25/30/35/722253035.db2.gz WPOFLRXLJFOAFG-UHFFFAOYSA-N 1 0 385.299 2.468 20 0 GEADRO CCN(CC)c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncn1 ZINC001165001659 722255179 /nfs/dbraw/zinc/25/51/79/722255179.db2.gz FQPFTVXYIBQLRB-UHFFFAOYSA-N 1 0 387.532 2.008 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000537852072 531463332 /nfs/dbraw/zinc/46/33/32/531463332.db2.gz WBQPSGADDCKBFO-UHFFFAOYSA-N 1 0 384.267 2.186 20 0 GEADRO Cc1ccc(Br)c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000151669290 531514869 /nfs/dbraw/zinc/51/48/69/531514869.db2.gz ADGFDJQQDYZVKP-ZDUSSCGKSA-N 1 0 382.302 2.075 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000151700227 531516414 /nfs/dbraw/zinc/51/64/14/531516414.db2.gz IUFDJNQBZLAUHD-UHFFFAOYSA-N 1 0 384.318 2.356 20 0 GEADRO CC1(C)C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C(C)(C)O1 ZINC000152149628 531531978 /nfs/dbraw/zinc/53/19/78/531531978.db2.gz LDCYGQJCYIXADB-CQSZACIVSA-N 1 0 388.555 2.205 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1COc2ccc(Br)cc21 ZINC000152191890 531537196 /nfs/dbraw/zinc/53/71/96/531537196.db2.gz DNGAXMAYGKMOED-ZBFHGGJFSA-N 1 0 397.313 2.278 20 0 GEADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@]1(F)CC[NH2+]C1 ZINC000152330105 531544035 /nfs/dbraw/zinc/54/40/35/531544035.db2.gz ZVSKXUSOLPNADH-KRWDZBQOSA-N 1 0 385.277 2.315 20 0 GEADRO COc1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1I ZINC000152353311 531545844 /nfs/dbraw/zinc/54/58/44/531545844.db2.gz BRIMWTUMXIWCCX-UHFFFAOYSA-N 1 0 388.249 2.468 20 0 GEADRO O=C(CNC(=O)C[NH+]1C[C@@H]2CCC[C@H]2C1)Nc1ccccc1Br ZINC000152645578 531565655 /nfs/dbraw/zinc/56/56/55/531565655.db2.gz SFKAZSMFYOPJHY-STQMWFEESA-N 1 0 380.286 2.236 20 0 GEADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152777585 531570038 /nfs/dbraw/zinc/57/00/38/531570038.db2.gz WVPXDZAMTLQCOS-KRWDZBQOSA-N 1 0 382.302 2.210 20 0 GEADRO NC(=O)N1CCC([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000152745474 531568640 /nfs/dbraw/zinc/56/86/40/531568640.db2.gz FLKMCBLCABNLOA-ZDUSSCGKSA-N 1 0 381.318 2.408 20 0 GEADRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000020432623 531581588 /nfs/dbraw/zinc/58/15/88/531581588.db2.gz GDIBLRFDJGJKAZ-SECBINFHSA-N 1 0 398.120 2.323 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000153011289 531584078 /nfs/dbraw/zinc/58/40/78/531584078.db2.gz CLPPGHVDDRRVJP-CABCVRRESA-N 1 0 382.346 2.380 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000153396802 531597837 /nfs/dbraw/zinc/59/78/37/531597837.db2.gz KMKPVYXVMYDVKO-UHFFFAOYSA-N 1 0 388.693 2.499 20 0 GEADRO CN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CCC[N@H+](C)C1 ZINC000153636587 531604945 /nfs/dbraw/zinc/60/49/45/531604945.db2.gz AAMAPAGOKCLJOP-KBPBESRZSA-N 1 0 394.313 2.355 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000153808711 531608912 /nfs/dbraw/zinc/60/89/12/531608912.db2.gz QLTCFYMNBCSQPI-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153925118 531612413 /nfs/dbraw/zinc/61/24/13/531612413.db2.gz NCCQYDMRHQYVNE-CJNGLKHVSA-N 1 0 394.313 2.086 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000154000817 531616320 /nfs/dbraw/zinc/61/63/20/531616320.db2.gz CSAHPPUGVCYODW-INIZCTEOSA-N 1 0 396.329 2.368 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000026956139 531620833 /nfs/dbraw/zinc/62/08/33/531620833.db2.gz MWCOAYGXJHVQSE-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000154419519 531624855 /nfs/dbraw/zinc/62/48/55/531624855.db2.gz MWDRCFXWTJKLGR-UHFFFAOYSA-N 1 0 377.304 2.100 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000154423866 531624999 /nfs/dbraw/zinc/62/49/99/531624999.db2.gz VYUMQKLHZZWLNP-UKRRQHHQSA-N 1 0 382.302 2.203 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000154427342 531625331 /nfs/dbraw/zinc/62/53/31/531625331.db2.gz FTZOAMXAVIUGFG-LBPRGKRZSA-N 1 0 382.302 2.436 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000154808156 531634222 /nfs/dbraw/zinc/63/42/22/531634222.db2.gz KMNZTCDCRJZKDD-UHFFFAOYSA-N 1 0 381.782 2.240 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000154764895 531631349 /nfs/dbraw/zinc/63/13/49/531631349.db2.gz IVCGESYRNOBOQT-GJZGRUSLSA-N 1 0 382.346 2.380 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000154760913 531631955 /nfs/dbraw/zinc/63/19/55/531631955.db2.gz HGWLXWDSTNYOAD-UHFFFAOYSA-N 1 0 399.738 2.349 20 0 GEADRO C[C@](C[NH3+])(NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000154858216 531638258 /nfs/dbraw/zinc/63/82/58/531638258.db2.gz BITGCZVWAFOYKM-RHSMWYFYSA-N 1 0 380.286 2.046 20 0 GEADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000041660821 531668307 /nfs/dbraw/zinc/66/83/07/531668307.db2.gz CTNGRPQGXIMFSB-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[C@H](NC(=O)c1cccs1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000031958454 531648477 /nfs/dbraw/zinc/64/84/77/531648477.db2.gz JBAHUSRSJPTWKM-AWEZNQCLSA-N 1 0 381.567 2.344 20 0 GEADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000155052057 531654266 /nfs/dbraw/zinc/65/42/66/531654266.db2.gz BVHPLVLTNRHATG-STQMWFEESA-N 1 0 382.302 2.120 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000155121705 531658454 /nfs/dbraw/zinc/65/84/54/531658454.db2.gz MZLAMLLXGSBEFV-GFCCVEGCSA-N 1 0 397.317 2.409 20 0 GEADRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000040599140 531662013 /nfs/dbraw/zinc/66/20/13/531662013.db2.gz INKWUHYHFXLFDO-GFCCVEGCSA-N 1 0 387.265 2.161 20 0 GEADRO Cc1ncc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(Cl)c1Cl ZINC000155176731 531662278 /nfs/dbraw/zinc/66/22/78/531662278.db2.gz ZCJGMTGXGGZYFP-CYBMUJFWSA-N 1 0 387.311 2.369 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000041625478 531668034 /nfs/dbraw/zinc/66/80/34/531668034.db2.gz IRCXJQXFSFMYQO-CYBMUJFWSA-N 1 0 391.331 2.089 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)CCOc2cccc(Br)c2)CC1 ZINC000042751842 531672279 /nfs/dbraw/zinc/67/22/79/531672279.db2.gz TXISLPWBUMDGAG-UHFFFAOYSA-N 1 0 398.345 2.362 20 0 GEADRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000155323678 531675096 /nfs/dbraw/zinc/67/50/96/531675096.db2.gz SOLTUGAZLIYDLQ-RWMBFGLXSA-N 1 0 397.317 2.265 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000155540605 531689025 /nfs/dbraw/zinc/68/90/25/531689025.db2.gz NAEGRGAUPDYJLN-UWVGGRQHSA-N 1 0 376.320 2.119 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)Nc1cccc(I)c1 ZINC000043317104 531679949 /nfs/dbraw/zinc/67/99/49/531679949.db2.gz VSYKYZIEYPRFGH-UHFFFAOYSA-N 1 0 391.253 2.381 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000155395846 531681833 /nfs/dbraw/zinc/68/18/33/531681833.db2.gz ZMCMBOMFRDWSCQ-ZDUSSCGKSA-N 1 0 392.924 2.334 20 0 GEADRO CC1CC[NH+](CCNC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000047120018 531710414 /nfs/dbraw/zinc/71/04/14/531710414.db2.gz HGTPKRPUYARODD-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(Br)cc2O)ccn1 ZINC000155996543 531708135 /nfs/dbraw/zinc/70/81/35/531708135.db2.gz CZIFILAXPHMVMK-UHFFFAOYSA-N 1 0 394.269 2.420 20 0 GEADRO C[C@@H](CNC(=O)Nc1cc(Br)c(=O)n(C)c1)C[NH+]1CCCCC1 ZINC000156264725 531724635 /nfs/dbraw/zinc/72/46/35/531724635.db2.gz YTQISSVJJGXFAB-LBPRGKRZSA-N 1 0 385.306 2.391 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000156251671 531725789 /nfs/dbraw/zinc/72/57/89/531725789.db2.gz SSFMWOQODCORNI-HNNXBMFYSA-N 1 0 387.571 2.139 20 0 GEADRO O=C(CSc1ccc(C(F)(F)F)cn1)NCCCC[NH+]1CCOCC1 ZINC000048284780 531727783 /nfs/dbraw/zinc/72/77/83/531727783.db2.gz MWVAOZHBYZABAL-UHFFFAOYSA-N 1 0 377.432 2.421 20 0 GEADRO CC[NH+](CC)CCCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000048370766 531729411 /nfs/dbraw/zinc/72/94/11/531729411.db2.gz LKTHMZSHVNSBFD-UHFFFAOYSA-N 1 0 390.347 2.431 20 0 GEADRO C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000048402586 531730710 /nfs/dbraw/zinc/73/07/10/531730710.db2.gz XFSJJLPZJXEJJE-LBPRGKRZSA-N 1 0 380.286 2.012 20 0 GEADRO O=C(NCCCc1cccc(Br)c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000157270927 531737973 /nfs/dbraw/zinc/73/79/73/531737973.db2.gz VWISZOOLDUXVOM-UHFFFAOYSA-N 1 0 392.301 2.328 20 0 GEADRO CSc1ncc(Cl)c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000050799296 531738982 /nfs/dbraw/zinc/73/89/82/531738982.db2.gz OYZVTGKJIMNBLQ-UHFFFAOYSA-N 1 0 383.949 2.140 20 0 GEADRO C[C@H](O)C[C@@H]1COCCN1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000157494422 531743703 /nfs/dbraw/zinc/74/37/03/531743703.db2.gz LGINJQNRFZWXML-GXTWGEPZSA-N 1 0 375.296 2.424 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158028884 531762824 /nfs/dbraw/zinc/76/28/24/531762824.db2.gz CNYQJBVTMNSUFO-WQVCFCJDSA-N 1 0 383.945 2.435 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000052819869 531750836 /nfs/dbraw/zinc/75/08/36/531750836.db2.gz JVXWOVMBBHXXTN-CYBMUJFWSA-N 1 0 383.286 2.363 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000052827917 531751324 /nfs/dbraw/zinc/75/13/24/531751324.db2.gz PBGFEZMBIOLGPN-CQSZACIVSA-N 1 0 380.432 2.389 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(Cc2cscn2)CC1)c1cccs1 ZINC000055084578 531780501 /nfs/dbraw/zinc/78/05/01/531780501.db2.gz IFTNUGNVYVDJMB-HNNXBMFYSA-N 1 0 379.555 2.335 20 0 GEADRO FC(F)(F)COCCC[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000053609126 531767920 /nfs/dbraw/zinc/76/79/20/531767920.db2.gz OYGLHHCLGJTXBH-UHFFFAOYSA-N 1 0 383.212 2.330 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000054147500 531773685 /nfs/dbraw/zinc/77/36/85/531773685.db2.gz XZZMCTBRWQAJKC-UHFFFAOYSA-N 1 0 386.290 2.103 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000054127785 531773742 /nfs/dbraw/zinc/77/37/42/531773742.db2.gz SPKGZFKSTLHHNK-UHFFFAOYSA-N 1 0 398.320 2.371 20 0 GEADRO CCCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000054210958 531775260 /nfs/dbraw/zinc/77/52/60/531775260.db2.gz MWAOCLFGLXDYFW-CYBMUJFWSA-N 1 0 397.317 2.411 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000054460365 531776899 /nfs/dbraw/zinc/77/68/99/531776899.db2.gz MBBCTZPHOFMLMJ-CQSZACIVSA-N 1 0 385.555 2.137 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000055245957 531784670 /nfs/dbraw/zinc/78/46/70/531784670.db2.gz QRVZAKPTYAKDHS-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO O=C(CNC(=O)NC1CC[NH+](C2CC2)CC1)Nc1ccc(Br)cc1 ZINC000056382338 531811623 /nfs/dbraw/zinc/81/16/23/531811623.db2.gz OXETTYHODURKBR-UHFFFAOYSA-N 1 0 395.301 2.314 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCCCNC(N)=O ZINC000056996930 531817582 /nfs/dbraw/zinc/81/75/82/531817582.db2.gz FJUKCFNPIHNBRS-UHFFFAOYSA-N 1 0 399.333 2.178 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[N@H+](C)C1CC1 ZINC000057707270 531822604 /nfs/dbraw/zinc/82/26/04/531822604.db2.gz MAWFDUROANYWFF-OCCSQVGLSA-N 1 0 394.313 2.401 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000058276520 531829607 /nfs/dbraw/zinc/82/96/07/531829607.db2.gz GHNOXRTZLVMQSZ-UONOGXRCSA-N 1 0 396.329 2.416 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000161636776 531833043 /nfs/dbraw/zinc/83/30/43/531833043.db2.gz BFFFHQDKWAOJDI-CYBMUJFWSA-N 1 0 380.432 2.077 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000162861798 531850976 /nfs/dbraw/zinc/85/09/76/531850976.db2.gz AIIVGIDUCZQVFY-SNVBAGLBSA-N 1 0 395.294 2.239 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000162793777 531851378 /nfs/dbraw/zinc/85/13/78/531851378.db2.gz ZUADSLAYOFCJGA-SJORKVTESA-N 1 0 384.567 2.423 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(C(F)(F)F)cc1 ZINC000162339604 531841255 /nfs/dbraw/zinc/84/12/55/531841255.db2.gz VCUDILSXPKPVQD-NSHDSACASA-N 1 0 377.388 2.464 20 0 GEADRO Cc1cccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1Br ZINC000162320315 531841987 /nfs/dbraw/zinc/84/19/87/531841987.db2.gz YMJKDNJZRXVWMM-HNNXBMFYSA-N 1 0 396.329 2.430 20 0 GEADRO CC(=O)Nc1nc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cs1 ZINC000064518336 531866716 /nfs/dbraw/zinc/86/67/16/531866716.db2.gz SHQZZQCWURPTGT-UHFFFAOYSA-N 1 0 380.436 2.188 20 0 GEADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCc1ccccc1Sc1ccccc1 ZINC000163315916 531856520 /nfs/dbraw/zinc/85/65/20/531856520.db2.gz ZODDFQVSCIQZLG-MRXNPFEDSA-N 1 0 378.519 2.216 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000061858254 531856641 /nfs/dbraw/zinc/85/66/41/531856641.db2.gz AMUCIHNPSOLHHL-LLVKDONJSA-N 1 0 394.722 2.356 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCCc1ccccc1Br ZINC000064242455 531863657 /nfs/dbraw/zinc/86/36/57/531863657.db2.gz QSZPLIXTMBCUHH-UHFFFAOYSA-N 1 0 384.318 2.403 20 0 GEADRO CC(C)(C[NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000165378161 531871435 /nfs/dbraw/zinc/87/14/35/531871435.db2.gz RWDKYPWGUWVJOH-LLVKDONJSA-N 1 0 383.290 2.006 20 0 GEADRO CC(=O)NCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000165214045 531871850 /nfs/dbraw/zinc/87/18/50/531871850.db2.gz HBRQYWPOMPADJZ-CYBMUJFWSA-N 1 0 383.290 2.021 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000066376325 531875007 /nfs/dbraw/zinc/87/50/07/531875007.db2.gz OWLDOPKWIDZWKN-AWEZNQCLSA-N 1 0 380.432 2.488 20 0 GEADRO Cc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc(S(N)(=O)=O)c1C ZINC000068014980 531891629 /nfs/dbraw/zinc/89/16/29/531891629.db2.gz FMUFVHRKOSXFNO-OAHLLOKOSA-N 1 0 381.523 2.045 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2sccc2Br)CC1 ZINC000067637763 531886923 /nfs/dbraw/zinc/88/69/23/531886923.db2.gz YNOJUQACJHFIFB-LBPRGKRZSA-N 1 0 390.347 2.403 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000067796528 531889839 /nfs/dbraw/zinc/88/98/39/531889839.db2.gz UUEKZKXPGVMFCA-OAHLLOKOSA-N 1 0 387.571 2.043 20 0 GEADRO C[C@@H](CNC(=O)N1CCN(c2ccc(Br)cn2)CC1)[N@H+](C)C1CC1 ZINC000171698194 531911384 /nfs/dbraw/zinc/91/13/84/531911384.db2.gz PUGRLXSZJOMPGO-ZDUSSCGKSA-N 1 0 396.333 2.158 20 0 GEADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc2nsnc21)Cc1ccccc1 ZINC000069090170 531911925 /nfs/dbraw/zinc/91/19/25/531911925.db2.gz BJZICOGRVYRNKP-CQSZACIVSA-N 1 0 376.507 2.143 20 0 GEADRO O=C(CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(Br)cc1 ZINC000171903615 531922276 /nfs/dbraw/zinc/92/22/76/531922276.db2.gz BJXDEEUKCFWPJO-HNNXBMFYSA-N 1 0 395.301 2.267 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000091323935 531923222 /nfs/dbraw/zinc/92/32/22/531923222.db2.gz XAXRLQZYGVSCOQ-JQWIXIFHSA-N 1 0 377.304 2.254 20 0 GEADRO CCc1nc(C)c([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)s1 ZINC000089595544 531923376 /nfs/dbraw/zinc/92/33/76/531923376.db2.gz CFPNGCSBPWIRFB-GXTWGEPZSA-N 1 0 375.560 2.153 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000171717270 531914400 /nfs/dbraw/zinc/91/44/00/531914400.db2.gz YBZMBGWZUZWEGG-HUUCEWRRSA-N 1 0 397.361 2.315 20 0 GEADRO COc1ccc(CC[NH2+]Cc2cnc(CC(C)C)s2)cc1S(N)(=O)=O ZINC000094013744 531930006 /nfs/dbraw/zinc/93/00/06/531930006.db2.gz MQEHQFIDLNZKBA-UHFFFAOYSA-N 1 0 383.539 2.330 20 0 GEADRO Cn1cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c(-c2cccs2)n1 ZINC000093967638 531930281 /nfs/dbraw/zinc/93/02/81/531930281.db2.gz CFQZKQIPHQRBDC-UHFFFAOYSA-N 1 0 380.539 2.195 20 0 GEADRO COc1cccc(Cl)c1C[NH2+]CCc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000094013795 531930372 /nfs/dbraw/zinc/93/03/72/531930372.db2.gz JFFLZQZHFKIKTK-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(Br)cc(F)c2C(N)=O)C1 ZINC000094132321 531932152 /nfs/dbraw/zinc/93/21/52/531932152.db2.gz QXOHORYXLOEAGT-LBPRGKRZSA-N 1 0 388.281 2.456 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000172077569 531932355 /nfs/dbraw/zinc/93/23/55/531932355.db2.gz ZMTBQFQNJUKYQL-NSHDSACASA-N 1 0 377.869 2.010 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000171979248 531928120 /nfs/dbraw/zinc/92/81/20/531928120.db2.gz MXUGCQZINAZTFK-LBPRGKRZSA-N 1 0 381.571 2.180 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000109182086 531943248 /nfs/dbraw/zinc/94/32/48/531943248.db2.gz XNBRMWUGYZWTMS-CYBMUJFWSA-N 1 0 388.295 2.141 20 0 GEADRO O=C(CC[N@H+]1CCC[C@H](OCCO)C1)Nc1ccc(Br)cc1F ZINC000172295714 531944641 /nfs/dbraw/zinc/94/46/41/531944641.db2.gz POCJBYFYKRMTQF-ZDUSSCGKSA-N 1 0 389.265 2.390 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000172279458 531944875 /nfs/dbraw/zinc/94/48/75/531944875.db2.gz ATEHSJHQMMDRGY-WHEQGISXSA-N 1 0 387.343 2.405 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000172324588 531945680 /nfs/dbraw/zinc/94/56/80/531945680.db2.gz OLVSDBIACHVRCZ-UHFFFAOYSA-N 1 0 397.361 2.317 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccs2)c(C[NH+](C)C)c1 ZINC000113911288 531952887 /nfs/dbraw/zinc/95/28/87/531952887.db2.gz WAFRZPIPKIYYDX-ZDUSSCGKSA-N 1 0 381.523 2.424 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000119288012 531964885 /nfs/dbraw/zinc/96/48/85/531964885.db2.gz BWJOOXKCBYTISE-HZMBPMFUSA-N 1 0 386.265 2.325 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 ZINC000172752337 531966651 /nfs/dbraw/zinc/96/66/51/531966651.db2.gz SDMGWPBLCMGMIK-UHFFFAOYSA-N 1 0 381.527 2.251 20 0 GEADRO CC[C@]1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[NH2+]C1 ZINC000119428052 531968271 /nfs/dbraw/zinc/96/82/71/531968271.db2.gz TYOUZAICGYJFNT-INIZCTEOSA-N 1 0 378.274 2.240 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1coc(S(=O)(=O)NC)c1)c1ccsc1 ZINC000119471835 531969720 /nfs/dbraw/zinc/96/97/20/531969720.db2.gz NSQCPLYUHSRKRL-CQSZACIVSA-N 1 0 385.511 2.062 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000119774780 531972961 /nfs/dbraw/zinc/97/29/61/531972961.db2.gz LKZJIFCJAUDHJO-LBPRGKRZSA-N 1 0 398.276 2.471 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(I)c(F)cc1F ZINC000120769114 531994338 /nfs/dbraw/zinc/99/43/38/531994338.db2.gz ZCGPZTCIPRHXML-QMMMGPOBSA-N 1 0 380.176 2.393 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCN2CCCCC2)c(F)c1Cl ZINC000173031945 531981957 /nfs/dbraw/zinc/98/19/57/531981957.db2.gz SZNQIBCZILOWIR-UHFFFAOYSA-N 1 0 395.859 2.341 20 0 GEADRO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000120623175 531986570 /nfs/dbraw/zinc/98/65/70/531986570.db2.gz UKBYDOXOZAVHRB-HUUCEWRRSA-N 1 0 399.329 2.379 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000120704000 531989208 /nfs/dbraw/zinc/98/92/08/531989208.db2.gz ZBUDKGAWPCEFMN-SWLSCSKDSA-N 1 0 394.313 2.279 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(Br)c1 ZINC000173218603 531996209 /nfs/dbraw/zinc/99/62/09/531996209.db2.gz ZQVLRGJNRHZQAK-ZDUSSCGKSA-N 1 0 378.270 2.169 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000173242083 531997667 /nfs/dbraw/zinc/99/76/67/531997667.db2.gz GVNPPUAMHZHDBV-YPMHNXCESA-N 1 0 391.331 2.418 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000173227758 531995456 /nfs/dbraw/zinc/99/54/56/531995456.db2.gz YNWBJGQTPARSHG-QWHCGFSZSA-N 1 0 380.286 2.391 20 0 GEADRO COCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000173259106 531999891 /nfs/dbraw/zinc/99/98/91/531999891.db2.gz QEQGBYDRMAURMP-CYBMUJFWSA-N 1 0 385.302 2.443 20 0 GEADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2c[nH]c(=O)c(Br)c2)o1 ZINC000173308989 532002601 /nfs/dbraw/zinc/00/26/01/532002601.db2.gz JJNVZARTPWMKRA-UHFFFAOYSA-N 1 0 382.258 2.243 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000121018704 532007024 /nfs/dbraw/zinc/00/70/24/532007024.db2.gz OUEQCBPACQIZKT-UHFFFAOYSA-N 1 0 378.217 2.076 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c1Br ZINC000121009452 532007235 /nfs/dbraw/zinc/00/72/35/532007235.db2.gz IPBWHYKOIMCRLW-UHFFFAOYSA-N 1 0 382.302 2.496 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NCCC[NH2+]C ZINC000121067268 532011609 /nfs/dbraw/zinc/01/16/09/532011609.db2.gz WPFGVXVJRZWFKM-HNNXBMFYSA-N 1 0 399.333 2.143 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000173729198 532029153 /nfs/dbraw/zinc/02/91/53/532029153.db2.gz YZTMLDLJKMAQCR-LLVKDONJSA-N 1 0 386.265 2.327 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000173745939 532031046 /nfs/dbraw/zinc/03/10/46/532031046.db2.gz QTWSQYPNNOPGHB-INIZCTEOSA-N 1 0 384.318 2.166 20 0 GEADRO CC[N@H+](Cc1ccc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)cc1)C(C)C ZINC000121531131 532033729 /nfs/dbraw/zinc/03/37/29/532033729.db2.gz IKGFMYYBFYYCMI-KRWDZBQOSA-N 1 0 384.567 2.477 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000173854739 532038534 /nfs/dbraw/zinc/03/85/34/532038534.db2.gz NGYRIEAMOFDAOX-MAUKXSAKSA-N 1 0 393.329 2.385 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000173925742 532042739 /nfs/dbraw/zinc/04/27/39/532042739.db2.gz BPPUEXBKBQSCML-ZDUSSCGKSA-N 1 0 388.917 2.464 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)C1 ZINC000173956099 532044367 /nfs/dbraw/zinc/04/43/67/532044367.db2.gz UZFIPZILPHCFGR-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)C1 ZINC000173956086 532044439 /nfs/dbraw/zinc/04/44/39/532044439.db2.gz UZFIPZILPHCFGR-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000121719516 532043908 /nfs/dbraw/zinc/04/39/08/532043908.db2.gz AGFDEUUHAURCKU-UHFFFAOYSA-N 1 0 385.306 2.363 20 0 GEADRO C[C@H](CNC(=O)C1(c2ccc(Br)cc2)CC1)C[NH+]1CCN(C)CC1 ZINC000121867084 532049450 /nfs/dbraw/zinc/04/94/50/532049450.db2.gz OOKUZBNTHAVYAO-OAHLLOKOSA-N 1 0 394.357 2.480 20 0 GEADRO C[C@H](CNC(=O)CCc1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000121856375 532049561 /nfs/dbraw/zinc/04/95/61/532049561.db2.gz HLZZNIWVHOWQAS-OAHLLOKOSA-N 1 0 382.346 2.381 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2COc3ccc(Br)cc32)n1 ZINC000121861312 532049610 /nfs/dbraw/zinc/04/96/10/532049610.db2.gz URWDHWIQKNCDRP-ZDUSSCGKSA-N 1 0 379.258 2.322 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000174133676 532051478 /nfs/dbraw/zinc/05/14/78/532051478.db2.gz QJERNIMFLWEXNZ-GJZGRUSLSA-N 1 0 377.312 2.122 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000174140849 532052236 /nfs/dbraw/zinc/05/22/36/532052236.db2.gz AYIRGZWWHKHHCK-CJNGLKHVSA-N 1 0 384.318 2.165 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C(C)(C)C)s3)C2)CC1 ZINC000121933331 532052960 /nfs/dbraw/zinc/05/29/60/532052960.db2.gz PLSWHXNGLSKJGH-OAHLLOKOSA-N 1 0 385.599 2.446 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000174157378 532053411 /nfs/dbraw/zinc/05/34/11/532053411.db2.gz UEGXRRAMPFOREL-HUUCEWRRSA-N 1 0 395.345 2.475 20 0 GEADRO O=C(C[N@@H+]1CC[C@H](CSc2ccccc2)C1)NC(=O)NCC(F)(F)F ZINC000174147939 532053621 /nfs/dbraw/zinc/05/36/21/532053621.db2.gz YDNXDOJGHCGCEF-LBPRGKRZSA-N 1 0 375.416 2.489 20 0 GEADRO COCC[NH+]1CCC(NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC000174206577 532054885 /nfs/dbraw/zinc/05/48/85/532054885.db2.gz YVBBSARZRSHZTD-UHFFFAOYSA-N 1 0 380.436 2.414 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000174194296 532055061 /nfs/dbraw/zinc/05/50/61/532055061.db2.gz BZEBRSJHWNYNCR-UHFFFAOYSA-N 1 0 396.329 2.416 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000122109170 532058127 /nfs/dbraw/zinc/05/81/27/532058127.db2.gz RYRCPBCWIUMQQP-IAQYHMDHSA-N 1 0 398.276 2.469 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000122109427 532058813 /nfs/dbraw/zinc/05/88/13/532058813.db2.gz RYRCPBCWIUMQQP-ABAIWWIYSA-N 1 0 398.276 2.469 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174383375 532063208 /nfs/dbraw/zinc/06/32/08/532063208.db2.gz QOXKUMUYEKWYQW-ZDUSSCGKSA-N 1 0 398.301 2.106 20 0 GEADRO Cc1nn(-c2ccccc2)cc1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000122244774 532062152 /nfs/dbraw/zinc/06/21/52/532062152.db2.gz SRPWEFAFFYJIMZ-UHFFFAOYSA-N 1 0 376.507 2.310 20 0 GEADRO O=C(COc1ccccc1Br)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000122365342 532067342 /nfs/dbraw/zinc/06/73/42/532067342.db2.gz SOUCRFQHRPUFHA-AWEZNQCLSA-N 1 0 397.313 2.445 20 0 GEADRO CN(CC(=O)NCC1([NH3+])CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000122386683 532068911 /nfs/dbraw/zinc/06/89/11/532068911.db2.gz IYTQYYRDJOVLNP-UHFFFAOYSA-N 1 0 387.933 2.128 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000122476264 532071684 /nfs/dbraw/zinc/07/16/84/532071684.db2.gz OMVJQFHSGDOIEC-QGZVFWFLSA-N 1 0 386.334 2.339 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000122488207 532071854 /nfs/dbraw/zinc/07/18/54/532071854.db2.gz GPYVPFUQNFHGPO-NSHDSACASA-N 1 0 384.278 2.142 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000122439159 532070098 /nfs/dbraw/zinc/07/00/98/532070098.db2.gz BVPBEAOOQSJMMS-ZFWWWQNUSA-N 1 0 386.901 2.231 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccnc1Br ZINC000122428542 532070481 /nfs/dbraw/zinc/07/04/81/532070481.db2.gz VONYVEYRXBMSIB-CABCVRRESA-N 1 0 382.302 2.342 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000122477265 532071423 /nfs/dbraw/zinc/07/14/23/532071423.db2.gz RTVLWAAWJXCKDB-WBMJQRKESA-N 1 0 386.901 2.231 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000122490352 532073077 /nfs/dbraw/zinc/07/30/77/532073077.db2.gz YHBWQIICYSJKGD-UHFFFAOYSA-N 1 0 380.286 2.439 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000122489742 532073227 /nfs/dbraw/zinc/07/32/27/532073227.db2.gz JWZXZRJXBCUTMA-LBPRGKRZSA-N 1 0 379.262 2.198 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000174634486 532072378 /nfs/dbraw/zinc/07/23/78/532072378.db2.gz AMZBTOZYTHNCMA-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174837889 532079801 /nfs/dbraw/zinc/07/98/01/532079801.db2.gz DRILRZKJIIKXPS-UHFFFAOYSA-N 1 0 386.265 2.327 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[N@H+](C)C1CC1 ZINC000174910105 532082049 /nfs/dbraw/zinc/08/20/49/532082049.db2.gz ACCDZPLZAABDJU-MRVPVSSYSA-N 1 0 390.228 2.265 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1C(F)(F)F)N1CCC[NH2+]CC1 ZINC000122844346 532085751 /nfs/dbraw/zinc/08/57/51/532085751.db2.gz PXNOFVRZTFJSNL-UHFFFAOYSA-N 1 0 387.221 2.452 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000175195130 532092810 /nfs/dbraw/zinc/09/28/10/532092810.db2.gz FIPYLRCMSFUZHJ-UHFFFAOYSA-N 1 0 377.304 2.139 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000123113835 532092956 /nfs/dbraw/zinc/09/29/56/532092956.db2.gz KWMGIRNWBRHYEA-KRWDZBQOSA-N 1 0 398.345 2.483 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000123187062 532095408 /nfs/dbraw/zinc/09/54/08/532095408.db2.gz SYGNOLLTRYRDST-LBPRGKRZSA-N 1 0 398.276 2.471 20 0 GEADRO COc1cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)ccc1Br ZINC000175270634 532095961 /nfs/dbraw/zinc/09/59/61/532095961.db2.gz FOLILAGIBZXKAR-UHFFFAOYSA-N 1 0 391.331 2.420 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000123235904 532096853 /nfs/dbraw/zinc/09/68/53/532096853.db2.gz LONUCMPWZJUPLS-UHFFFAOYSA-N 1 0 380.901 2.394 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1Br ZINC000175286830 532097101 /nfs/dbraw/zinc/09/71/01/532097101.db2.gz VCOFIWLJTAFUIH-LLVKDONJSA-N 1 0 377.304 2.030 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000175391308 532101899 /nfs/dbraw/zinc/10/18/99/532101899.db2.gz BHFIJHAUOUKBRZ-OAHLLOKOSA-N 1 0 396.333 2.160 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)c1cccs1 ZINC000123815964 532108840 /nfs/dbraw/zinc/10/88/40/532108840.db2.gz YAYWOYIHWCDDGY-CQSZACIVSA-N 1 0 385.486 2.291 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000123868685 532109503 /nfs/dbraw/zinc/10/95/03/532109503.db2.gz JZBPMKPRGXBIRC-GFCCVEGCSA-N 1 0 382.507 2.356 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000124344726 532118775 /nfs/dbraw/zinc/11/87/75/532118775.db2.gz BJUPZIDGCXFZJN-QWRGUYRKSA-N 1 0 377.304 2.206 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000124344454 532119161 /nfs/dbraw/zinc/11/91/61/532119161.db2.gz BJUPZIDGCXFZJN-GHMZBOCLSA-N 1 0 377.304 2.206 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn2cc(Br)cnc12 ZINC000124385925 532120041 /nfs/dbraw/zinc/12/00/41/532120041.db2.gz RUQZAZKOGUYTJX-LBPRGKRZSA-N 1 0 380.290 2.486 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124368278 532120188 /nfs/dbraw/zinc/12/01/88/532120188.db2.gz PSXLUZRUJLQHIO-XHDPSFHLSA-N 1 0 388.249 2.465 20 0 GEADRO COCCn1c2ccc(Cl)cc2nc1SCC(=O)NCCC[NH+](C)C ZINC000124536197 532123336 /nfs/dbraw/zinc/12/33/36/532123336.db2.gz WKUUYIZINYHSRP-UHFFFAOYSA-N 1 0 384.933 2.496 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)CC1 ZINC000124000394 532113228 /nfs/dbraw/zinc/11/32/28/532113228.db2.gz AMJORVBWILLKOB-MRXNPFEDSA-N 1 0 389.924 2.021 20 0 GEADRO C[C@@H](CNC(=O)N(C)Cc1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000175785081 532114752 /nfs/dbraw/zinc/11/47/52/532114752.db2.gz ACOHPRCWPWPXHU-HNNXBMFYSA-N 1 0 397.361 2.474 20 0 GEADRO CC[C@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)[NH+](C)C ZINC000124195269 532116246 /nfs/dbraw/zinc/11/62/46/532116246.db2.gz YDBAISVULAFZMM-OAHLLOKOSA-N 1 0 384.318 2.254 20 0 GEADRO CN(CC(=O)NCc1cccnc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125628009 532139206 /nfs/dbraw/zinc/13/92/06/532139206.db2.gz HMTYDXZNSCSKDS-INIZCTEOSA-N 1 0 378.270 2.126 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000176116933 532126253 /nfs/dbraw/zinc/12/62/53/532126253.db2.gz JKXQYNQPOVRZMB-NSHDSACASA-N 1 0 378.270 2.457 20 0 GEADRO O=C(NC[C@]1(O)CCSC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000176175694 532128777 /nfs/dbraw/zinc/12/87/77/532128777.db2.gz JSADUDJKLPAACV-GOSISDBHSA-N 1 0 383.945 2.472 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000124817374 532129386 /nfs/dbraw/zinc/12/93/86/532129386.db2.gz XKBVRGVZQQHNBT-HNNXBMFYSA-N 1 0 382.302 2.170 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000124820939 532129695 /nfs/dbraw/zinc/12/96/95/532129695.db2.gz WHJNGKKQINHKHV-ZYHUDNBSSA-N 1 0 377.304 2.206 20 0 GEADRO CC[C@H](C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)[NH+](C)C ZINC000124873750 532130604 /nfs/dbraw/zinc/13/06/04/532130604.db2.gz JLFJUDNOLBPRSA-TZMCWYRMSA-N 1 0 397.317 2.361 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2cccc(Br)c2)CC1 ZINC000124828673 532130907 /nfs/dbraw/zinc/13/09/07/532130907.db2.gz ZYZISLKJUUEXNU-OAHLLOKOSA-N 1 0 382.346 2.381 20 0 GEADRO CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCCN2CCc3sccc3C2)C1 ZINC000176451868 532137892 /nfs/dbraw/zinc/13/78/92/532137892.db2.gz BFOFWOPDFVEUTO-DUOCMMSMSA-N 1 0 383.583 2.485 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000176904119 532154152 /nfs/dbraw/zinc/15/41/52/532154152.db2.gz POTVAJKYWZDBJB-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO C[C@H](NC(=O)CNC(=O)c1ccc(Br)s1)C(C)(C)C[NH+](C)C ZINC000176635991 532143649 /nfs/dbraw/zinc/14/36/49/532143649.db2.gz TYDCXOUSXVQDOB-JTQLQIEISA-N 1 0 390.347 2.333 20 0 GEADRO O=C(NCC1(O)CCOCC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000176671056 532144755 /nfs/dbraw/zinc/14/47/55/532144755.db2.gz LGXHTOMLZMLLEZ-MRXNPFEDSA-N 1 0 397.313 2.244 20 0 GEADRO C[NH+](C)C[C@H]1CCCCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000176694752 532146305 /nfs/dbraw/zinc/14/63/05/532146305.db2.gz LHGBXEDGGFIFDP-OAHLLOKOSA-N 1 0 382.302 2.122 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000176764661 532149360 /nfs/dbraw/zinc/14/93/60/532149360.db2.gz CNRWVDJGZZNSNN-UHFFFAOYSA-N 1 0 396.329 2.384 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000127672574 532156029 /nfs/dbraw/zinc/15/60/29/532156029.db2.gz KMSMSMKYDHPUCW-DZGCQCFKSA-N 1 0 394.313 2.088 20 0 GEADRO COc1cc(OC)c([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000129760049 532183838 /nfs/dbraw/zinc/18/38/38/532183838.db2.gz WKRHSWAXJHJTJO-NSHDSACASA-N 1 0 376.906 2.432 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000177535017 532174511 /nfs/dbraw/zinc/17/45/11/532174511.db2.gz SNDTVKNUDNTZOX-LLVKDONJSA-N 1 0 375.803 2.433 20 0 GEADRO NC(=O)[C@H](NCCCNC(=O)C1CCC1)c1ccc(Br)cc1F ZINC000177543436 532175741 /nfs/dbraw/zinc/17/57/41/532175741.db2.gz YLEVAIRJTYAWSQ-CQSZACIVSA-N 1 0 386.265 2.011 20 0 GEADRO COc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cc1Br ZINC000129260609 532176466 /nfs/dbraw/zinc/17/64/66/532176466.db2.gz FYPLGWBGZVBMDF-UHFFFAOYSA-N 1 0 377.304 2.126 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000130706951 532193617 /nfs/dbraw/zinc/19/36/17/532193617.db2.gz CMSXRFCRPXRTKW-VBNZEHGJSA-N 1 0 396.329 2.430 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000130718987 532193696 /nfs/dbraw/zinc/19/36/96/532193696.db2.gz HUCJPNWBWFTKLY-JKSUJKDBSA-N 1 0 382.302 2.275 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000178182856 532196171 /nfs/dbraw/zinc/19/61/71/532196171.db2.gz UGRHTIUZJZBVAU-XFJVYGCCSA-N 1 0 382.302 2.407 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H](CO)c1cccc(Br)c1 ZINC000177944748 532186859 /nfs/dbraw/zinc/18/68/59/532186859.db2.gz LYAZUPPGVLVTNY-LRDDRELGSA-N 1 0 382.302 2.266 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)c(Br)s1 ZINC000129955623 532187294 /nfs/dbraw/zinc/18/72/94/532187294.db2.gz DXWQPCWUWWZADO-SNVBAGLBSA-N 1 0 377.304 2.360 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+](CC(C)(C)O)CC2)c(OC)c1 ZINC000129960490 532187835 /nfs/dbraw/zinc/18/78/35/532187835.db2.gz LIDBEZXTVPKZDX-UHFFFAOYSA-N 1 0 387.318 2.355 20 0 GEADRO C[C@@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000177978994 532189027 /nfs/dbraw/zinc/18/90/27/532189027.db2.gz OCCRVGQWXVJDFC-RYUDHWBXSA-N 1 0 385.306 2.390 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000178670310 532209407 /nfs/dbraw/zinc/20/94/07/532209407.db2.gz DDELQDOQVLANNT-INIZCTEOSA-N 1 0 396.329 2.417 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)CCCOc1ccc(I)cc1 ZINC000178689715 532210261 /nfs/dbraw/zinc/21/02/61/532210261.db2.gz DEELEXBYUMJVCU-NSHDSACASA-N 1 0 376.238 2.304 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)c2cc(Br)ccc2I)C1 ZINC000132212451 532211785 /nfs/dbraw/zinc/21/17/85/532211785.db2.gz TYAOFLWRCXOAOS-QMMMGPOBSA-N 1 0 395.038 2.227 20 0 GEADRO CCC[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3CSCCS3)CC2)CC1 ZINC000132407194 532214371 /nfs/dbraw/zinc/21/43/71/532214371.db2.gz MOTKBXRSBTVSBL-QGZVFWFLSA-N 1 0 386.631 2.037 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000178857264 532214612 /nfs/dbraw/zinc/21/46/12/532214612.db2.gz NVUOCKWAIIKMHD-OCCSQVGLSA-N 1 0 394.313 2.388 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000178871713 532215768 /nfs/dbraw/zinc/21/57/68/532215768.db2.gz VNTZNEGUGHYUEC-JTQLQIEISA-N 1 0 378.270 2.490 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000132475074 532216006 /nfs/dbraw/zinc/21/60/06/532216006.db2.gz JAUZWWQQWOKYIA-SSDOTTSWSA-N 1 0 380.613 2.126 20 0 GEADRO C[C@H](CNC(=O)c1cc(F)c(F)cc1Br)N1CC[NH+](C)CC1 ZINC000132529300 532216405 /nfs/dbraw/zinc/21/64/05/532216405.db2.gz LMDVXENXKXMPJO-SNVBAGLBSA-N 1 0 376.245 2.093 20 0 GEADRO COC[C@](C)(CCO)[NH2+]CCCOc1cccc(I)c1 ZINC000132561593 532218193 /nfs/dbraw/zinc/21/81/93/532218193.db2.gz ZPLGGQLRHXREMI-HNNXBMFYSA-N 1 0 393.265 2.437 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000178431214 532202012 /nfs/dbraw/zinc/20/20/12/532202012.db2.gz GWONNQSUIBUPTN-UHFFFAOYSA-N 1 0 394.269 2.047 20 0 GEADRO CC(=O)N[C@H](CC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000178956324 532218842 /nfs/dbraw/zinc/21/88/42/532218842.db2.gz WQNGZYQXZOTWLY-CZUORRHYSA-N 1 0 382.302 2.132 20 0 GEADRO CC(=O)NCc1ccc(-c2csc(NC(=O)C[C@H]3CSCC[NH2+]3)n2)o1 ZINC000131777986 532203550 /nfs/dbraw/zinc/20/35/50/532203550.db2.gz DAEMQBJEDBZFFJ-NSHDSACASA-N 1 0 380.495 2.073 20 0 GEADRO CCC[N@@H+]1CCCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000131742399 532203683 /nfs/dbraw/zinc/20/36/83/532203683.db2.gz CISIRJNJOKBUCV-UHFFFAOYSA-N 1 0 396.289 2.240 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178524948 532203881 /nfs/dbraw/zinc/20/38/81/532203881.db2.gz CYVFVUFXQONEHJ-AWEZNQCLSA-N 1 0 386.901 2.376 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000131834004 532204285 /nfs/dbraw/zinc/20/42/85/532204285.db2.gz AFXNMZGHWYDTDC-CYBMUJFWSA-N 1 0 378.274 2.391 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+]C2(c3ccc(Br)cc3)CCC2)nn1 ZINC000178515955 532204376 /nfs/dbraw/zinc/20/43/76/532204376.db2.gz UQULUCQCGNSQDR-UHFFFAOYSA-N 1 0 393.285 2.425 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178497865 532204458 /nfs/dbraw/zinc/20/44/58/532204458.db2.gz XAJLLTQSAVOZCI-GJZGRUSLSA-N 1 0 396.329 2.430 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Br)cc1C ZINC000133309435 532231202 /nfs/dbraw/zinc/23/12/02/532231202.db2.gz SVGKPCDGUAJPHQ-CQSZACIVSA-N 1 0 391.331 2.147 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)CCO1 ZINC000133299089 532231463 /nfs/dbraw/zinc/23/14/63/532231463.db2.gz GWFXIMLSBNRRNT-GFCCVEGCSA-N 1 0 383.286 2.480 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Br)cc2OC)CC1 ZINC000133380170 532233443 /nfs/dbraw/zinc/23/34/43/532233443.db2.gz ZTKQVRBGGWOMOT-AWEZNQCLSA-N 1 0 398.345 2.461 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179525728 532234544 /nfs/dbraw/zinc/23/45/44/532234544.db2.gz JCKNERBOBFNCFJ-GFCCVEGCSA-N 1 0 389.315 2.019 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Br)cc1C ZINC000133419885 532234642 /nfs/dbraw/zinc/23/46/42/532234642.db2.gz MQLWMWKQLXLVGM-AWEZNQCLSA-N 1 0 393.347 2.393 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000178983397 532219444 /nfs/dbraw/zinc/21/94/44/532219444.db2.gz MMKQFJKNQNVDCU-LSDHHAIUSA-N 1 0 384.567 2.419 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)C1 ZINC000132682126 532220115 /nfs/dbraw/zinc/22/01/15/532220115.db2.gz VCXNBQHGITXMOS-GFCCVEGCSA-N 1 0 376.258 2.080 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000132697048 532220195 /nfs/dbraw/zinc/22/01/95/532220195.db2.gz CMDPVDRJMMXIKS-HUUCEWRRSA-N 1 0 385.327 2.444 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000179015461 532220309 /nfs/dbraw/zinc/22/03/09/532220309.db2.gz BKQNNSKVSKIZKV-BBRMVZONSA-N 1 0 382.302 2.084 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000179000669 532220509 /nfs/dbraw/zinc/22/05/09/532220509.db2.gz UUNMIPXNTDKUKN-BBRMVZONSA-N 1 0 394.313 2.122 20 0 GEADRO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000179140583 532223448 /nfs/dbraw/zinc/22/34/48/532223448.db2.gz KLISOLFURKAJBC-AWEZNQCLSA-N 1 0 383.286 2.435 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000133038354 532225755 /nfs/dbraw/zinc/22/57/55/532225755.db2.gz WXEUECMGNVDFLO-STQMWFEESA-N 1 0 380.286 2.012 20 0 GEADRO CN(CCC[NH3+])S(=O)(=O)c1cc(Br)ccc1Br ZINC000133780235 532242214 /nfs/dbraw/zinc/24/22/14/532242214.db2.gz XXGHKEVPZSBGFD-UHFFFAOYSA-N 1 0 386.109 2.181 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000133946414 532246608 /nfs/dbraw/zinc/24/66/08/532246608.db2.gz MNUDKFATUOWDHW-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO C[C@H](CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000179892617 532248780 /nfs/dbraw/zinc/24/87/80/532248780.db2.gz SSNOCZYOZHNJSW-CXAGYDPISA-N 1 0 388.339 2.417 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000134043748 532248860 /nfs/dbraw/zinc/24/88/60/532248860.db2.gz LZIXDUQWLNQOHO-IHVVCDCBSA-N 1 0 381.270 2.444 20 0 GEADRO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(Br)n1 ZINC000134101954 532250027 /nfs/dbraw/zinc/25/00/27/532250027.db2.gz KHDSRBGYCQGTAW-HNNXBMFYSA-N 1 0 383.334 2.154 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000134131555 532250700 /nfs/dbraw/zinc/25/07/00/532250700.db2.gz XJTXCWBMYCAHBL-CYBMUJFWSA-N 1 0 394.313 2.138 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000134131347 532251080 /nfs/dbraw/zinc/25/10/80/532251080.db2.gz XJTXCWBMYCAHBL-ZDUSSCGKSA-N 1 0 394.313 2.138 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179921423 532251184 /nfs/dbraw/zinc/25/11/84/532251184.db2.gz OFPBAXDIYWERKX-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180014260 532254118 /nfs/dbraw/zinc/25/41/18/532254118.db2.gz CEHSVFFRIIARGX-OAHLLOKOSA-N 1 0 383.583 2.346 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccnc1Br)[NH+]1CCC(C)CC1 ZINC000179593314 532237249 /nfs/dbraw/zinc/23/72/49/532237249.db2.gz LNPKEOLMUQHFNI-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1[nH]nc2ccc(Br)cc21 ZINC000179608609 532238380 /nfs/dbraw/zinc/23/83/80/532238380.db2.gz LJCSTWOKCDXISR-CYBMUJFWSA-N 1 0 395.301 2.292 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000180455364 532271747 /nfs/dbraw/zinc/27/17/47/532271747.db2.gz LWLDAAQOLOLSNM-BDAKNGLRSA-N 1 0 384.370 2.487 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[N@H+](C)C1CC1 ZINC000180048146 532254589 /nfs/dbraw/zinc/25/45/89/532254589.db2.gz HRAWNOKUMISOID-QMMMGPOBSA-N 1 0 390.228 2.265 20 0 GEADRO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134455400 532256057 /nfs/dbraw/zinc/25/60/57/532256057.db2.gz FJHGZSABOZOQNS-SNVBAGLBSA-N 1 0 376.404 2.283 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000134596657 532258758 /nfs/dbraw/zinc/25/87/58/532258758.db2.gz HWSXZLVHBFAXEG-XJKSGUPXSA-N 1 0 396.329 2.067 20 0 GEADRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000180192735 532260987 /nfs/dbraw/zinc/26/09/87/532260987.db2.gz XOTJRGOXHYPSDF-ZBEGNZNMSA-N 1 0 399.310 2.481 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000134819480 532264035 /nfs/dbraw/zinc/26/40/35/532264035.db2.gz YSBXSJYGCINAND-UHFFFAOYSA-N 1 0 391.299 2.177 20 0 GEADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000180337186 532268081 /nfs/dbraw/zinc/26/80/81/532268081.db2.gz NAEZLQMGEVKNEF-VIFPVBQESA-N 1 0 384.370 2.489 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000135494000 532275056 /nfs/dbraw/zinc/27/50/56/532275056.db2.gz QUBSIBLAPBQJQR-UHFFFAOYSA-N 1 0 380.432 2.022 20 0 GEADRO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(F)cc1F ZINC000180749541 532279888 /nfs/dbraw/zinc/27/98/88/532279888.db2.gz YQMZEOPJUYAZMS-YOEHRIQHSA-N 1 0 376.469 2.494 20 0 GEADRO CN(C(=O)c1ccc(Br)cc1-n1cncn1)[C@@H]1CCC[N@H+](C)C1 ZINC000135782360 532279933 /nfs/dbraw/zinc/27/99/33/532279933.db2.gz RBRATBKTUYVATL-CYBMUJFWSA-N 1 0 378.274 2.196 20 0 GEADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000180765677 532280926 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C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000181225073 532293589 /nfs/dbraw/zinc/29/35/89/532293589.db2.gz YPZRSMARXWBEAC-AWEZNQCLSA-N 1 0 386.945 2.491 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCc2cc(F)ccc2Br)CC1 ZINC000140446638 532293901 /nfs/dbraw/zinc/29/39/01/532293901.db2.gz SKFITXVSWOXWKG-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1Cl ZINC000140010201 532293907 /nfs/dbraw/zinc/29/39/07/532293907.db2.gz NBQUNHJIABINSS-UHFFFAOYSA-N 1 0 385.917 2.412 20 0 GEADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)s1 ZINC000181391553 532296880 /nfs/dbraw/zinc/29/68/80/532296880.db2.gz SWFOFNOPBPMMMY-KBXCAEBGSA-N 1 0 385.599 2.499 20 0 GEADRO COC(=O)CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC(C)C ZINC000143855625 532297040 /nfs/dbraw/zinc/29/70/40/532297040.db2.gz YQKXRICXISDKJT-UHFFFAOYSA-N 1 0 396.285 2.478 20 0 GEADRO C[C@H](Sc1nncn1C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145689746 532297632 /nfs/dbraw/zinc/29/76/32/532297632.db2.gz 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ZINC000181546751 532301504 /nfs/dbraw/zinc/30/15/04/532301504.db2.gz AISMFUCFWMBENX-UHFFFAOYSA-N 1 0 391.313 2.203 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000150879543 532303310 /nfs/dbraw/zinc/30/33/10/532303310.db2.gz PSSQDSVRPRXKOE-JSGCOSHPSA-N 1 0 390.933 2.299 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000150872924 532303618 /nfs/dbraw/zinc/30/36/18/532303618.db2.gz JMSRXFSKPDQPAD-GFCCVEGCSA-N 1 0 386.411 2.480 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c(Br)c1 ZINC000181686454 532305411 /nfs/dbraw/zinc/30/54/11/532305411.db2.gz CRZJXAGMHFNRQC-CYBMUJFWSA-N 1 0 384.318 2.272 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151166667 532307721 /nfs/dbraw/zinc/30/77/21/532307721.db2.gz XTTNAIASNPQAJL-LLVKDONJSA-N 1 0 399.866 2.273 20 0 GEADRO O=C(CC(=O)NCC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000181943182 532308067 /nfs/dbraw/zinc/30/80/67/532308067.db2.gz MVQJRPTWTPVARG-GFCCVEGCSA-N 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CSc1ccc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000185770312 532338627 /nfs/dbraw/zinc/33/86/27/532338627.db2.gz BWXLQTHPQSBLMR-ZDUSSCGKSA-N 1 0 391.990 2.224 20 0 GEADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000185778265 532338815 /nfs/dbraw/zinc/33/88/15/532338815.db2.gz YJMGEYHYIHWCRM-UHFFFAOYSA-N 1 0 389.315 2.099 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCCOCCO ZINC000185895193 532338981 /nfs/dbraw/zinc/33/89/81/532338981.db2.gz HFIMQYRTPUIXKJ-UHFFFAOYSA-N 1 0 382.096 2.282 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186029596 532339617 /nfs/dbraw/zinc/33/96/17/532339617.db2.gz PVIVIAMEBYJKBU-SZMVWBNQSA-N 1 0 387.567 2.493 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(I)c1 ZINC000186204401 532340168 /nfs/dbraw/zinc/34/01/68/532340168.db2.gz MOUQCCYGNPFSCO-LBPRGKRZSA-N 1 0 394.278 2.054 20 0 GEADRO C[N@H+](CCCNS(=O)(=O)c1cnn(CC(F)(F)F)c1)C1CCCCC1 ZINC000186248146 532340243 /nfs/dbraw/zinc/34/02/43/532340243.db2.gz GJMMRTUXEHDRBM-UHFFFAOYSA-N 1 0 382.452 2.378 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000186290180 532340342 /nfs/dbraw/zinc/34/03/42/532340342.db2.gz PJLADGQRVJBKLF-BETUJISGSA-N 1 0 382.452 2.092 20 0 GEADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000186686424 532341698 /nfs/dbraw/zinc/34/16/98/532341698.db2.gz XRSWXGCCDCVLQC-CJNGLKHVSA-N 1 0 378.897 2.306 20 0 GEADRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000186789757 532341960 /nfs/dbraw/zinc/34/19/60/532341960.db2.gz RIEURHKPMJCRKI-IINYFYTJSA-N 1 0 378.274 2.066 20 0 GEADRO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)NCCOc1cccc(Cl)c1 ZINC000186831491 532342116 /nfs/dbraw/zinc/34/21/16/532342116.db2.gz VUKDYSIWAJPTGG-UHFFFAOYSA-N 1 0 384.929 2.433 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000186913145 532342424 /nfs/dbraw/zinc/34/24/24/532342424.db2.gz PXIWXCAKQUETJA-LBPRGKRZSA-N 1 0 387.293 2.434 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(I)c(F)cc3F)C[C@@H]12 ZINC000186909444 532342437 /nfs/dbraw/zinc/34/24/37/532342437.db2.gz RGERLVFXXMTLEC-WIMUKIRHSA-N 1 0 392.187 2.379 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ncc(Br)cc1F ZINC000187124266 532343305 /nfs/dbraw/zinc/34/33/05/532343305.db2.gz JGHXKUZELUFQAT-SNVBAGLBSA-N 1 0 394.310 2.305 20 0 GEADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000183734593 532328156 /nfs/dbraw/zinc/32/81/56/532328156.db2.gz QTZPGSPDIWHWKE-GFCCVEGCSA-N 1 0 376.906 2.328 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cncc(Br)c2)s1 ZINC000183748644 532328954 /nfs/dbraw/zinc/32/89/54/532328954.db2.gz VGJKIUKMQOCDJK-UHFFFAOYSA-N 1 0 390.328 2.282 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCOc1ccccc1Br ZINC000184343803 532332285 /nfs/dbraw/zinc/33/22/85/532332285.db2.gz QLIPEVIBHRSGHE-OAHLLOKOSA-N 1 0 398.345 2.360 20 0 GEADRO COc1nc(C)c(Br)cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000188162292 532346976 /nfs/dbraw/zinc/34/69/76/532346976.db2.gz CHFQQGALSMRCSI-UHFFFAOYSA-N 1 0 386.290 2.002 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188163500 532347021 /nfs/dbraw/zinc/34/70/21/532347021.db2.gz ALLHPZLCUXTGHC-CXAGYDPISA-N 1 0 389.327 2.184 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Br)cc2N)CC1 ZINC000188390842 532347996 /nfs/dbraw/zinc/34/79/96/532347996.db2.gz JVLRDRUFXMDYRB-HNNXBMFYSA-N 1 0 395.345 2.273 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000188746895 532349334 /nfs/dbraw/zinc/34/93/34/532349334.db2.gz GCNGAWIZOKVKHS-ZDUSSCGKSA-N 1 0 399.329 2.497 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC[NH+]2CCC1CC2 ZINC000188852802 532349859 /nfs/dbraw/zinc/34/98/59/532349859.db2.gz NQFWYWWOZITBLD-UHFFFAOYSA-N 1 0 376.507 2.306 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[NH+]2CCC1CC2 ZINC000188844614 532349905 /nfs/dbraw/zinc/34/99/05/532349905.db2.gz ZVIPGINSWXMGAR-CYBMUJFWSA-N 1 0 392.297 2.109 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000189269795 532351612 /nfs/dbraw/zinc/35/16/12/532351612.db2.gz ZUWSQGNIRCVXIC-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc2c(cc1Br)OCCO2 ZINC000189419513 532352168 /nfs/dbraw/zinc/35/21/68/532352168.db2.gz LIGZJAJYQWNHEW-ZDUSSCGKSA-N 1 0 399.329 2.497 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000189952581 532354240 /nfs/dbraw/zinc/35/42/40/532354240.db2.gz FHUCNIPMJNTNRM-ZDUSSCGKSA-N 1 0 382.302 2.462 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000190010512 532354492 /nfs/dbraw/zinc/35/44/92/532354492.db2.gz IBSJCVFXTLVJRT-LLVKDONJSA-N 1 0 378.885 2.470 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000190108152 532354916 /nfs/dbraw/zinc/35/49/16/532354916.db2.gz QTSAYJPLYUWHQD-CQSZACIVSA-N 1 0 386.539 2.482 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000190153144 532355065 /nfs/dbraw/zinc/35/50/65/532355065.db2.gz WCJNSHCKGSULDA-UHFFFAOYSA-N 1 0 385.306 2.281 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000190354695 532355718 /nfs/dbraw/zinc/35/57/18/532355718.db2.gz VNQCAXQNKPHAHE-HUUCEWRRSA-N 1 0 380.286 2.473 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000190568819 532356878 /nfs/dbraw/zinc/35/68/78/532356878.db2.gz BRCKDNIZZPFLJE-UHFFFAOYSA-N 1 0 379.320 2.420 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H]1CO ZINC000190838337 532358250 /nfs/dbraw/zinc/35/82/50/532358250.db2.gz GPFSUQLLZNLAKL-MDZLAQPJSA-N 1 0 378.694 2.402 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 ZINC000191346009 532360481 /nfs/dbraw/zinc/36/04/81/532360481.db2.gz VGAOUJGDJXZDIH-CYBMUJFWSA-N 1 0 385.917 2.078 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000187374390 532344159 /nfs/dbraw/zinc/34/41/59/532344159.db2.gz JWGLZCMHSXAXHO-UHFFFAOYSA-N 1 0 395.301 2.452 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CCS(=O)(=O)CC1 ZINC000187410041 532344269 /nfs/dbraw/zinc/34/42/69/532344269.db2.gz BKJUIIYDQYXZOH-ZBEGNZNMSA-N 1 0 388.892 2.387 20 0 GEADRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187416119 532344484 /nfs/dbraw/zinc/34/44/84/532344484.db2.gz AWBPMVWYHQMYDG-PZPSRYQVSA-N 1 0 384.929 2.415 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000187453932 532344542 /nfs/dbraw/zinc/34/45/42/532344542.db2.gz QJNOAMJKUJYYJI-AWEZNQCLSA-N 1 0 393.347 2.393 20 0 GEADRO CSc1ccccc1S(=O)(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000187677468 532345104 /nfs/dbraw/zinc/34/51/04/532345104.db2.gz GIZPLASXLZMCQC-INIZCTEOSA-N 1 0 383.583 2.199 20 0 GEADRO C[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187716642 532345306 /nfs/dbraw/zinc/34/53/06/532345306.db2.gz OEPFLQRZTPXQLW-STQMWFEESA-N 1 0 376.473 2.080 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CCO1 ZINC000647235386 532372631 /nfs/dbraw/zinc/37/26/31/532372631.db2.gz ZCBHPQWQKKSPFB-MEDUHNTESA-N 1 0 399.310 2.339 20 0 GEADRO CC[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1CCOC1 ZINC000463435157 532372654 /nfs/dbraw/zinc/37/26/54/532372654.db2.gz HJLIOYCHWAHFMH-AWEZNQCLSA-N 1 0 387.311 2.148 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(OC)ccc2Br)CC[C@@H]1[NH3+] ZINC000647268669 532373277 /nfs/dbraw/zinc/37/32/77/532373277.db2.gz FSHPYSVPDSSHBD-GWCFXTLKSA-N 1 0 377.304 2.206 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2OC)CC[C@H]1[NH3+] ZINC000647268878 532373444 /nfs/dbraw/zinc/37/34/44/532373444.db2.gz JDQOSLOLELBCCT-JOYOIKCWSA-N 1 0 395.294 2.345 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)s1 ZINC000647267318 532373460 /nfs/dbraw/zinc/37/34/60/532373460.db2.gz ZBEAZLDRXRIJLO-CYBMUJFWSA-N 1 0 381.523 2.095 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)COc1c(Cl)cccc1Cl ZINC000278211242 532373688 /nfs/dbraw/zinc/37/36/88/532373688.db2.gz IKHXFTFAQYTMTM-GFCCVEGCSA-N 1 0 388.295 2.218 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425215070 532374360 /nfs/dbraw/zinc/37/43/60/532374360.db2.gz LPVWAUDZHOESOX-BLLLJJGKSA-N 1 0 375.897 2.182 20 0 GEADRO Brc1ccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)c(N2CCOCC2)c1 ZINC000647534677 532374455 /nfs/dbraw/zinc/37/44/55/532374455.db2.gz TVTNXHFXPKRFQH-PBHICJAKSA-N 1 0 380.330 2.470 20 0 GEADRO CSCC[C@@H](O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000294641671 532374521 /nfs/dbraw/zinc/37/45/21/532374521.db2.gz PAGJLDBLOPJIOF-QGZVFWFLSA-N 1 0 385.961 2.082 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425214196 532375208 /nfs/dbraw/zinc/37/52/08/532375208.db2.gz IWQPQTIFWPILHZ-SWLSCSKDSA-N 1 0 386.901 2.150 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000621965212 532375800 /nfs/dbraw/zinc/37/58/00/532375800.db2.gz HVJTXFNSCYIFCI-NSHDSACASA-N 1 0 399.285 2.095 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2C)C1 ZINC000191937802 532376012 /nfs/dbraw/zinc/37/60/12/532376012.db2.gz KPORRJUOHSKQMX-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO COc1ncc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc1Br ZINC000425225118 532376334 /nfs/dbraw/zinc/37/63/34/532376334.db2.gz KOJXWBURPFMTFD-UHFFFAOYSA-N 1 0 395.257 2.440 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000647596177 532376992 /nfs/dbraw/zinc/37/69/92/532376992.db2.gz OTOIJRNXQWGYDQ-NEPJUHHUSA-N 1 0 388.693 2.105 20 0 GEADRO COc1cc2[nH+]ccc(N3CCO[C@@H](CNC(C)=O)C3)c2cc1Br ZINC000425239505 532377515 /nfs/dbraw/zinc/37/75/15/532377515.db2.gz XBCORDYWJWICEA-LBPRGKRZSA-N 1 0 394.269 2.347 20 0 GEADRO [NH3+]CCCNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000647610699 532377984 /nfs/dbraw/zinc/37/79/84/532377984.db2.gz FHYRLZASJROEBV-UHFFFAOYSA-N 1 0 389.315 2.001 20 0 GEADRO C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000278403847 532378364 /nfs/dbraw/zinc/37/83/64/532378364.db2.gz GCLGNQYCQYWLFI-WDEREUQCSA-N 1 0 379.452 2.158 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000191529056 532361229 /nfs/dbraw/zinc/36/12/29/532361229.db2.gz GFIYXQMBSPZBRG-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000191627780 532361712 /nfs/dbraw/zinc/36/17/12/532361712.db2.gz RAMUOTZHQILYCS-UHFFFAOYSA-N 1 0 383.334 2.251 20 0 GEADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000191680016 532361882 /nfs/dbraw/zinc/36/18/82/532361882.db2.gz XTEWWVCFLBBIRX-DZGCQCFKSA-N 1 0 390.285 2.059 20 0 GEADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000191680031 532362419 /nfs/dbraw/zinc/36/24/19/532362419.db2.gz XTEWWVCFLBBIRX-HIFRSBDPSA-N 1 0 390.285 2.059 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000647003756 532363612 /nfs/dbraw/zinc/36/36/12/532363612.db2.gz AKCJNPMFKVXITL-WWGRRREGSA-N 1 0 394.313 2.388 20 0 GEADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000191717063 532363658 /nfs/dbraw/zinc/36/36/58/532363658.db2.gz GCBPHNDRLKUHIM-ZDUSSCGKSA-N 1 0 382.302 2.383 20 0 GEADRO CC1([NH3+])CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000646994974 532363840 /nfs/dbraw/zinc/36/38/40/532363840.db2.gz BUJDHHSMOQSCAV-GFCCVEGCSA-N 1 0 380.286 2.142 20 0 GEADRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000621661196 532364207 /nfs/dbraw/zinc/36/42/07/532364207.db2.gz IVTHDXRVUGBLIA-GUYCJALGSA-N 1 0 394.313 2.228 20 0 GEADRO Cc1c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000621694352 532364983 /nfs/dbraw/zinc/36/49/83/532364983.db2.gz FPWORGWESDPJNB-SJKOYZFVSA-N 1 0 390.285 2.292 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCN(c3ccccc3Br)C1=O)C2 ZINC000621682483 532365204 /nfs/dbraw/zinc/36/52/04/532365204.db2.gz HFMQTRVRYPPUAZ-VBHSOAQHSA-N 1 0 392.297 2.142 20 0 GEADRO C[NH+]1CCN(c2cccc(C(=O)Nc3nc4c(s3)CSCC4)n2)CC1 ZINC000557519208 532365353 /nfs/dbraw/zinc/36/53/53/532365353.db2.gz LIIIJMQYRQBPQM-UHFFFAOYSA-N 1 0 375.523 2.332 20 0 GEADRO C[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)S(C)(=O)=O ZINC000677153282 532365428 /nfs/dbraw/zinc/36/54/28/532365428.db2.gz OFSIVRRXLKNTDV-JTQLQIEISA-N 1 0 378.288 2.133 20 0 GEADRO COCC1(CNC(=O)c2c3ccc(Br)cc3nn2C)CC[NH2+]CC1 ZINC000647037708 532365422 /nfs/dbraw/zinc/36/54/22/532365422.db2.gz ZRNXFVJCRWRYJM-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000371978919 532365421 /nfs/dbraw/zinc/36/54/21/532365421.db2.gz KUSGBXGPXLUXOO-UHFFFAOYSA-N 1 0 385.961 2.378 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000647025747 532365457 /nfs/dbraw/zinc/36/54/57/532365457.db2.gz LOMLXMOYCCNACW-AWEZNQCLSA-N 1 0 382.302 2.073 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590012340 532366447 /nfs/dbraw/zinc/36/64/47/532366447.db2.gz RMMKYWDOZUGYON-HZMBPMFUSA-N 1 0 386.279 2.354 20 0 GEADRO CC[NH+](CC)CCCN1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000191806113 532367491 /nfs/dbraw/zinc/36/74/91/532367491.db2.gz IGCDGEPWISPFQU-UHFFFAOYSA-N 1 0 386.338 2.102 20 0 GEADRO O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000557554386 532367682 /nfs/dbraw/zinc/36/76/82/532367682.db2.gz LTYJHZCCYAOOKQ-HIFRSBDPSA-N 1 0 379.492 2.204 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cscc2C(F)(F)F)CC1 ZINC000621807753 532368731 /nfs/dbraw/zinc/36/87/31/532368731.db2.gz MDIKFFDMVFARKU-CYBMUJFWSA-N 1 0 375.416 2.321 20 0 GEADRO Cc1nccn1C[C@@H](C)C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000372060844 532369961 /nfs/dbraw/zinc/36/99/61/532369961.db2.gz MNMIUAADJOYBNY-AWEZNQCLSA-N 1 0 382.555 2.332 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc([C@@H]4CCC[NH2+]4)no3)C2)s1 ZINC000647154038 532370714 /nfs/dbraw/zinc/37/07/14/532370714.db2.gz RUPGUXZTXOWXNF-STQMWFEESA-N 1 0 382.511 2.432 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)c1cccnc1-n1cc(Br)cn1 ZINC000294602708 532370783 /nfs/dbraw/zinc/37/07/83/532370783.db2.gz ZIONGITUGNBCRJ-UHFFFAOYSA-N 1 0 378.274 2.246 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000557760731 532371210 /nfs/dbraw/zinc/37/12/10/532371210.db2.gz JIQUTCILIVWIMN-ACCOQDJYSA-N 1 0 380.286 2.491 20 0 GEADRO C[N@@H+]1CCN(c2ncc(I)cn2)C[C@@H]1Cc1ccccc1 ZINC000557741343 532371485 /nfs/dbraw/zinc/37/14/85/532371485.db2.gz DFJRRNIJNQSJHE-HNNXBMFYSA-N 1 0 394.260 2.444 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000558002122 532378962 /nfs/dbraw/zinc/37/89/62/532378962.db2.gz LJVINUWMPUSPBX-ZDUSSCGKSA-N 1 0 399.333 2.068 20 0 GEADRO O=C(NC[C@H]1CCSC1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000279461907 532395448 /nfs/dbraw/zinc/39/54/48/532395448.db2.gz DHZXUJUPHHUQHN-CQSZACIVSA-N 1 0 379.551 2.043 20 0 GEADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cc(Br)nn3C)CC2)C[C@H](C)O1 ZINC000192025135 532379220 /nfs/dbraw/zinc/37/92/20/532379220.db2.gz SFXFBJYEBZWMIV-BETUJISGSA-N 1 0 399.333 2.144 20 0 GEADRO COc1ccc(CCC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1Br ZINC000647707681 532380267 /nfs/dbraw/zinc/38/02/67/532380267.db2.gz BNICGGILNDBYJZ-HUUCEWRRSA-N 1 0 397.313 2.058 20 0 GEADRO C[NH+](C)C[C@H](CO)NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000647710071 532380738 /nfs/dbraw/zinc/38/07/38/532380738.db2.gz KXFIYYYEYZHZAI-MRVPVSSYSA-N 1 0 390.328 2.286 20 0 GEADRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000647710745 532381062 /nfs/dbraw/zinc/38/10/62/532381062.db2.gz MYASGQGLBJIIPJ-AWEZNQCLSA-N 1 0 398.326 2.154 20 0 GEADRO CC(C)(C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1cccc(Br)c1 ZINC000647707626 532381490 /nfs/dbraw/zinc/38/14/90/532381490.db2.gz AURBWDZLHSPYTD-JKSUJKDBSA-N 1 0 381.314 2.394 20 0 GEADRO Cn1ncc(Br)c1CNCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000278488537 532381824 /nfs/dbraw/zinc/38/18/24/532381824.db2.gz LRTYRWSDLGILDC-UHFFFAOYSA-N 1 0 393.329 2.429 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000516286511 532383420 /nfs/dbraw/zinc/38/34/20/532383420.db2.gz VROKXVCLUCMRES-JTNHKYCSSA-N 1 0 387.249 2.231 20 0 GEADRO C[NH+](C)CCn1cc(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)ccc1=O ZINC000278518728 532383557 /nfs/dbraw/zinc/38/35/57/532383557.db2.gz RPHSYRSMPNSLKA-UHFFFAOYSA-N 1 0 387.864 2.144 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000647895946 532384591 /nfs/dbraw/zinc/38/45/91/532384591.db2.gz PMMDSIGEDCWZHY-TXEJJXNPSA-N 1 0 382.452 2.465 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccnc1OCC(F)F ZINC000647905145 532385031 /nfs/dbraw/zinc/38/50/31/532385031.db2.gz FFONOYSOQMLBJN-QWHCGFSZSA-N 1 0 377.457 2.124 20 0 GEADRO O=S1(=O)CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000623346747 532385430 /nfs/dbraw/zinc/38/54/30/532385430.db2.gz ALRYGIIQTXZNKF-SECBINFHSA-N 1 0 390.328 2.425 20 0 GEADRO CSCC[C@@H](O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000294831287 532385978 /nfs/dbraw/zinc/38/59/78/532385978.db2.gz XISFEFRBOJIMAN-OAHLLOKOSA-N 1 0 389.359 2.453 20 0 GEADRO CN(C(=O)c1cccnc1-n1cc(Br)cn1)[C@H]1CCC[N@H+](C)C1 ZINC000294832732 532386498 /nfs/dbraw/zinc/38/64/98/532386498.db2.gz DKWWOVOXFVKYFR-ZDUSSCGKSA-N 1 0 378.274 2.196 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000648142145 532386558 /nfs/dbraw/zinc/38/65/58/532386558.db2.gz KIIVXNSIFQRACK-HUUCEWRRSA-N 1 0 384.929 2.352 20 0 GEADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000623346748 532386580 /nfs/dbraw/zinc/38/65/80/532386580.db2.gz ALRYGIIQTXZNKF-VIFPVBQESA-N 1 0 390.328 2.425 20 0 GEADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123296 532386595 /nfs/dbraw/zinc/38/65/95/532386595.db2.gz QZYHJKHSUBNRJO-BMIGLBTASA-N 1 0 376.254 2.115 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000372373789 532387683 /nfs/dbraw/zinc/38/76/83/532387683.db2.gz DNZVPKYVEXYIAR-IUODEOHRSA-N 1 0 380.286 2.249 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000677976172 532388316 /nfs/dbraw/zinc/38/83/16/532388316.db2.gz YPKRQRZDRAEEKO-XNJGSVPQSA-N 1 0 394.313 2.321 20 0 GEADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)c(Br)cc1F ZINC000590817824 532388621 /nfs/dbraw/zinc/38/86/21/532388621.db2.gz SYHSXRIQPNNSRW-VIFPVBQESA-N 1 0 388.237 2.448 20 0 GEADRO CCNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000516645941 532389354 /nfs/dbraw/zinc/38/93/54/532389354.db2.gz XNHTZNPPLWSGCZ-KRWDZBQOSA-N 1 0 382.913 2.331 20 0 GEADRO COc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1I ZINC000516658234 532389819 /nfs/dbraw/zinc/38/98/19/532389819.db2.gz FADQKGWWMBXLND-JTQLQIEISA-N 1 0 376.238 2.227 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000425678988 532389821 /nfs/dbraw/zinc/38/98/21/532389821.db2.gz YDTSJLJYRQNGGM-GFCCVEGCSA-N 1 0 396.289 2.017 20 0 GEADRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(Br)c(F)cc1F ZINC000192171675 532391429 /nfs/dbraw/zinc/39/14/29/532391429.db2.gz VKRLXMNCANHZMI-UHFFFAOYSA-N 1 0 377.229 2.161 20 0 GEADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623915940 532391579 /nfs/dbraw/zinc/39/15/79/532391579.db2.gz XSKFJZUNVUMNAW-HNNXBMFYSA-N 1 0 385.555 2.083 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000372439465 532391837 /nfs/dbraw/zinc/39/18/37/532391837.db2.gz UFYMYJOAXCEJHR-MMWGEVLESA-N 1 0 386.315 2.110 20 0 GEADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000372493379 532393017 /nfs/dbraw/zinc/39/30/17/532393017.db2.gz GXMUOZIJABCDGS-FQUUOJAGSA-N 1 0 392.297 2.283 20 0 GEADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)CCC[N@@H+]1C ZINC000425742975 532393068 /nfs/dbraw/zinc/39/30/68/532393068.db2.gz MPGVNWZKNIWMPP-MWLCHTKSSA-N 1 0 375.803 2.479 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000372492178 532393555 /nfs/dbraw/zinc/39/35/55/532393555.db2.gz DHTURFZXXXSGTM-HNNXBMFYSA-N 1 0 397.313 2.230 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000294973915 532394454 /nfs/dbraw/zinc/39/44/54/532394454.db2.gz GAWZWAPFOUMDEM-CHWSQXEVSA-N 1 0 375.922 2.283 20 0 GEADRO Cc1cc(C)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(C)c1Br ZINC000623995980 532395049 /nfs/dbraw/zinc/39/50/49/532395049.db2.gz OMJPFSGNKPHTKM-UHFFFAOYSA-N 1 0 396.329 2.220 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000591081443 532398371 /nfs/dbraw/zinc/39/83/71/532398371.db2.gz KLAOZAMKOUSTCX-HZPDHXFCSA-N 1 0 397.313 2.251 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCCN(C)C1 ZINC000648432488 532396375 /nfs/dbraw/zinc/39/63/75/532396375.db2.gz NQHKTBIPRYAUQP-WFASDCNBSA-N 1 0 384.318 2.146 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000624615918 532399635 /nfs/dbraw/zinc/39/96/35/532399635.db2.gz MOHBFFBSPBIEQZ-CYBMUJFWSA-N 1 0 397.317 2.419 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624609319 532399283 /nfs/dbraw/zinc/39/92/83/532399283.db2.gz ULRZJWXLMSNWGA-GFCCVEGCSA-N 1 0 385.306 2.384 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000559473055 532403430 /nfs/dbraw/zinc/40/34/30/532403430.db2.gz NCQREYLRLVKBRR-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO CN(C)S(=O)(=O)CCC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000559409964 532401891 /nfs/dbraw/zinc/40/18/91/532401891.db2.gz JLLSLOXFEJNUQY-UHFFFAOYSA-N 1 0 392.924 2.442 20 0 GEADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc2c(Br)cccc2cn1 ZINC000517039726 532403643 /nfs/dbraw/zinc/40/36/43/532403643.db2.gz HBZVYUHMTMYZOQ-GOSISDBHSA-N 1 0 390.281 2.184 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000517143857 532405956 /nfs/dbraw/zinc/40/59/56/532405956.db2.gz FPRBKRQEQBPEQN-LLVKDONJSA-N 1 0 379.309 2.369 20 0 GEADRO O=C1CNC(=O)N1CC[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000559479054 532403773 /nfs/dbraw/zinc/40/37/73/532403773.db2.gz JUTNFHZJRHZFAF-AWEZNQCLSA-N 1 0 380.286 2.398 20 0 GEADRO O=C(C[N@H+]1CCC[C@H](CO)CC1)Nc1ccc(I)cc1 ZINC000559459265 532403955 /nfs/dbraw/zinc/40/39/55/532403955.db2.gz RHQGNRMOXAGEDO-LBPRGKRZSA-N 1 0 388.249 2.324 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Br)ccc3O)C2)CC1 ZINC000372737554 532403986 /nfs/dbraw/zinc/40/39/86/532403986.db2.gz FJBOPCQHVRXYTH-HNNXBMFYSA-N 1 0 396.329 2.395 20 0 GEADRO CC[C@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)(C)O ZINC000295108741 532404464 /nfs/dbraw/zinc/40/44/64/532404464.db2.gz XAUSHYTZDGKKQF-RNCFNFMXSA-N 1 0 379.320 2.297 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000591282924 532404518 /nfs/dbraw/zinc/40/45/18/532404518.db2.gz STXAEABJIAXLBR-UHFFFAOYSA-N 1 0 389.949 2.055 20 0 GEADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(I)cc1 ZINC000591261049 532404765 /nfs/dbraw/zinc/40/47/65/532404765.db2.gz GMFARJKFFQEUDM-UHFFFAOYSA-N 1 0 394.278 2.006 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(Br)cc1F ZINC000591287267 532404796 /nfs/dbraw/zinc/40/47/96/532404796.db2.gz JYCILLNRSYYHRM-QPUJVOFHSA-N 1 0 388.237 2.494 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(Br)cc1F ZINC000591287219 532405027 /nfs/dbraw/zinc/40/50/27/532405027.db2.gz DIWYUBFUGASBIT-SDBXPKJASA-N 1 0 388.237 2.494 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000372726218 532405029 /nfs/dbraw/zinc/40/50/29/532405029.db2.gz MMRPAOVBKUJOGU-ZDUSSCGKSA-N 1 0 394.313 2.388 20 0 GEADRO CS(=O)(=O)C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)C1CC1 ZINC000559737869 532405153 /nfs/dbraw/zinc/40/51/53/532405153.db2.gz ZGNZAWIYQTZFSY-ZWKOTPCHSA-N 1 0 386.945 2.126 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000591307100 532405867 /nfs/dbraw/zinc/40/58/67/532405867.db2.gz HSMZUCUQXBMOHP-SECBINFHSA-N 1 0 386.246 2.070 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000559847932 532406866 /nfs/dbraw/zinc/40/68/66/532406866.db2.gz HOFQKTVJVOBKFM-LLVKDONJSA-N 1 0 378.420 2.129 20 0 GEADRO Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000591326664 532407004 /nfs/dbraw/zinc/40/70/04/532407004.db2.gz VDQRYKOXEIRWHZ-MRXNPFEDSA-N 1 0 385.961 2.437 20 0 GEADRO NC(=O)c1cc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)on1 ZINC000372747349 532406320 /nfs/dbraw/zinc/40/63/20/532406320.db2.gz LDYITTMNIZSZHU-UHFFFAOYSA-N 1 0 382.873 2.017 20 0 GEADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1)c1cccc(Br)c1 ZINC000517128002 532406326 /nfs/dbraw/zinc/40/63/26/532406326.db2.gz UAPSGNMMVZCQCZ-MRXNPFEDSA-N 1 0 393.281 2.208 20 0 GEADRO CC1([NH3+])CCN(C(=O)NCCc2ccc(I)s2)CC1 ZINC000591350146 532409838 /nfs/dbraw/zinc/40/98/38/532409838.db2.gz YBEAFPMACXSDRY-UHFFFAOYSA-N 1 0 393.294 2.418 20 0 GEADRO Brc1ccc(-n2cc(CNCc3nnc4n3CCOC4)cn2)cc1 ZINC000372772888 532408297 /nfs/dbraw/zinc/40/82/97/532408297.db2.gz OCFQQJJRPXLJIP-UHFFFAOYSA-N 1 0 389.257 2.046 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000295144215 532408788 /nfs/dbraw/zinc/40/87/88/532408788.db2.gz IYOHLVVHIOVAHU-JTQLQIEISA-N 1 0 376.247 2.134 20 0 GEADRO C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cn1 ZINC000280247926 532411309 /nfs/dbraw/zinc/41/13/09/532411309.db2.gz KWVXGSBAJSMFHF-KBPBESRZSA-N 1 0 397.317 2.269 20 0 GEADRO CC(C)Cc1ncnc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1I ZINC000591434908 532411750 /nfs/dbraw/zinc/41/17/50/532411750.db2.gz LHHPZTKQMJDYKH-SDDRHHMPSA-N 1 0 386.281 2.453 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448900 532412171 /nfs/dbraw/zinc/41/21/71/532412171.db2.gz PWPTVDHSPUVEEI-LALPHHSUSA-N 1 0 399.276 2.302 20 0 GEADRO O=C(Nc1c[nH]cc(Br)c1=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000372827128 532412817 /nfs/dbraw/zinc/41/28/17/532412817.db2.gz ZEVADWVQRYGULX-UHFFFAOYSA-N 1 0 394.273 2.072 20 0 GEADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cccc(Sc2ccccc2)c1 ZINC000625128016 532410767 /nfs/dbraw/zinc/41/07/67/532410767.db2.gz FOGREMLMGNZETL-UHFFFAOYSA-N 1 0 380.535 2.430 20 0 GEADRO C[C@H]1COCCN1CCNC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000591583702 532414808 /nfs/dbraw/zinc/41/48/08/532414808.db2.gz IGNZZFZQVOVELE-ZDUSSCGKSA-N 1 0 382.302 2.458 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000680446277 532415013 /nfs/dbraw/zinc/41/50/13/532415013.db2.gz ZQXIALFBVSWPHF-UHFFFAOYSA-N 1 0 377.819 2.031 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000560115995 532415746 /nfs/dbraw/zinc/41/57/46/532415746.db2.gz JTIMKNVRUAZVHV-INIZCTEOSA-N 1 0 381.318 2.375 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000517378242 532415847 /nfs/dbraw/zinc/41/58/47/532415847.db2.gz HWQBACZRWVPWEE-CYBMUJFWSA-N 1 0 399.333 2.207 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)s1 ZINC000680509666 532416029 /nfs/dbraw/zinc/41/60/29/532416029.db2.gz FLOPKBCPEMNDRJ-QWHCGFSZSA-N 1 0 387.571 2.296 20 0 GEADRO C[NH+](C)CCn1nccc1NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000295192780 532416063 /nfs/dbraw/zinc/41/60/63/532416063.db2.gz LLILGSNNXSBXIO-UHFFFAOYSA-N 1 0 376.404 2.405 20 0 GEADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000295194787 532416361 /nfs/dbraw/zinc/41/63/61/532416361.db2.gz RPTFIMWEXVSWBX-UHFFFAOYSA-N 1 0 380.695 2.038 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000560108015 532416574 /nfs/dbraw/zinc/41/65/74/532416574.db2.gz 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COc1nc(N2CCN([C@@H](C)c3cnc(C)cn3)CC2)ncc1Br ZINC000428254168 532447254 /nfs/dbraw/zinc/44/72/54/532447254.db2.gz UESAHDWAYYONDB-LBPRGKRZSA-N 1 0 393.289 2.229 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C[NH2+]1 ZINC000626945267 532447481 /nfs/dbraw/zinc/44/74/81/532447481.db2.gz AOBJUJOENXHHII-BXUZGUMPSA-N 1 0 383.290 2.217 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000428217858 532447470 /nfs/dbraw/zinc/44/74/70/532447470.db2.gz LACIJBWNDPWSRF-RYUDHWBXSA-N 1 0 396.251 2.473 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(I)cc2Cl)CCO1 ZINC000592307465 532447721 /nfs/dbraw/zinc/44/77/21/532447721.db2.gz IOCHANLRAKACCM-PELKAZGASA-N 1 0 394.640 2.133 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ncc1Br ZINC000194269161 532445930 /nfs/dbraw/zinc/44/59/30/532445930.db2.gz BABSHUBPJRBCGG-TZMCWYRMSA-N 1 0 395.301 2.034 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)C1 ZINC000428418518 532452294 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C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ncc(Br)s2)cc1 ZINC000683403975 532456700 /nfs/dbraw/zinc/45/67/00/532456700.db2.gz GERDLECEFUZUMF-UHFFFAOYSA-N 1 0 397.298 2.449 20 0 GEADRO CC[C@]1(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CCC[NH2+]1 ZINC000467703651 532453151 /nfs/dbraw/zinc/45/31/51/532453151.db2.gz XACAZRPORGADAL-QGZVFWFLSA-N 1 0 382.302 2.217 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CCC[N@@H+](C2CC2)CC1 ZINC000194599371 532454339 /nfs/dbraw/zinc/45/43/39/532454339.db2.gz LWCHDUJDUMMAFG-UHFFFAOYSA-N 1 0 395.297 2.460 20 0 GEADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3csc(C(F)(F)F)n3)C2)CC1 ZINC000373500914 532454645 /nfs/dbraw/zinc/45/46/45/532454645.db2.gz GNNYXZUVOVXMPT-GFCCVEGCSA-N 1 0 376.448 2.404 20 0 GEADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)[nH]1 ZINC000428541722 532455038 /nfs/dbraw/zinc/45/50/38/532455038.db2.gz CIMSGNIKNTXYAZ-CQSZACIVSA-N 1 0 394.313 2.420 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000194774987 532455473 /nfs/dbraw/zinc/45/54/73/532455473.db2.gz BSHRWDPPHHPLND-CQSZACIVSA-N 1 0 390.347 2.311 20 0 GEADRO O=C(Cc1cc(Cl)ccc1Cl)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428623520 532455563 /nfs/dbraw/zinc/45/55/63/532455563.db2.gz FMZUQOFKJVZFCU-CYBMUJFWSA-N 1 0 384.307 2.206 20 0 GEADRO Cc1cc(C(=O)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c(C)cc1Cl ZINC000373529276 532455570 /nfs/dbraw/zinc/45/55/70/532455570.db2.gz MNUPAKSSIPWYHE-HNNXBMFYSA-N 1 0 384.929 2.338 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ncc(Br)cc1F ZINC000373528974 532455817 /nfs/dbraw/zinc/45/58/17/532455817.db2.gz KFHYDCDERHGJBT-YNHOBRIKSA-N 1 0 399.264 2.354 20 0 GEADRO CSc1ccc(Cl)c(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000428621529 532455853 /nfs/dbraw/zinc/45/58/53/532455853.db2.gz QSWOFZXHXIFNMZ-CYBMUJFWSA-N 1 0 381.929 2.346 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000519109825 532455855 /nfs/dbraw/zinc/45/58/55/532455855.db2.gz OPWZUVAEESBXOU-UHFFFAOYSA-N 1 0 392.301 2.440 20 0 GEADRO COCCC[N@@H+]1CCCN(C(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000373531833 532456159 /nfs/dbraw/zinc/45/61/59/532456159.db2.gz GQJYIQCZMFTTHN-UHFFFAOYSA-N 1 0 386.290 2.043 20 0 GEADRO CSc1ccc(Cl)c(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000428621532 532456502 /nfs/dbraw/zinc/45/65/02/532456502.db2.gz QSWOFZXHXIFNMZ-ZDUSSCGKSA-N 1 0 381.929 2.346 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1Cl ZINC000194776828 532456622 /nfs/dbraw/zinc/45/66/22/532456622.db2.gz AELJEOOTHRNNIL-AWEZNQCLSA-N 1 0 377.869 2.233 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CO)CCF)[C@H]1c1ccc(Cl)c(F)c1 ZINC000650997583 532459737 /nfs/dbraw/zinc/45/97/37/532459737.db2.gz IVOUTDWSTMADQX-XJKCOSOUSA-N 1 0 375.847 2.492 20 0 GEADRO [NH3+][C@@H]1C[C@@H]2CN(Cc3csc(Cc4ccc(Cl)cc4)n3)CCN2C1=O ZINC000519183061 532459992 /nfs/dbraw/zinc/45/99/92/532459992.db2.gz HVNCGKXSSIEVKP-HZPDHXFCSA-N 1 0 376.913 2.131 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NC[C@@H](C)[NH3+])C1 ZINC000194879091 532460704 /nfs/dbraw/zinc/46/07/04/532460704.db2.gz OVUJBMJHGBJNKE-OLZOCXBDSA-N 1 0 382.302 2.073 20 0 GEADRO O=C(Nc1ccc(Br)cc1C(F)(F)F)C(=O)NC1CC[NH2+]CC1 ZINC000428785144 532460700 /nfs/dbraw/zinc/46/07/00/532460700.db2.gz PWWRXFCGUFOVGQ-UHFFFAOYSA-N 1 0 394.191 2.275 20 0 GEADRO C[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428818153 532461820 /nfs/dbraw/zinc/46/18/20/532461820.db2.gz ORJRAVLQFLXNFI-CQSZACIVSA-N 1 0 388.917 2.010 20 0 GEADRO CC(C)(C[NH3+])NC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000428918532 532465484 /nfs/dbraw/zinc/46/54/84/532465484.db2.gz FXTLARMXPZEBQO-UHFFFAOYSA-N 1 0 388.331 2.364 20 0 GEADRO C[C@@H]1C[C@@H](CNS(=O)(=O)c2c(Cl)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000373723329 532465473 /nfs/dbraw/zinc/46/54/73/532465473.db2.gz DLINSGCXFCZQAH-HIFRSBDPSA-N 1 0 382.917 2.262 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373728637 532465577 /nfs/dbraw/zinc/46/55/77/532465577.db2.gz OVCBANJCKVNCSP-CYBMUJFWSA-N 1 0 381.318 2.051 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)C1 ZINC000628425413 532467309 /nfs/dbraw/zinc/46/73/09/532467309.db2.gz KAABEKRDSULBDT-KBAYOESNSA-N 1 0 386.945 2.491 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428966553 532466628 /nfs/dbraw/zinc/46/66/28/532466628.db2.gz KQYFKSMLJOSCAU-SGMGOOAPSA-N 1 0 382.302 2.072 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000428971166 532466784 /nfs/dbraw/zinc/46/67/84/532466784.db2.gz AJPDTVCLNJIRCC-MRVPVSSYSA-N 1 0 394.191 2.227 20 0 GEADRO Cc1c(Br)cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(=O)n1C ZINC000468487895 532467039 /nfs/dbraw/zinc/46/70/39/532467039.db2.gz NSVVMAWHNKRQED-AWEZNQCLSA-N 1 0 384.318 2.306 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CSc2cccc(Br)c2)C1 ZINC000683912648 532467097 /nfs/dbraw/zinc/46/70/97/532467097.db2.gz MIOKWBBWLWFCCO-INIZCTEOSA-N 1 0 387.343 2.456 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@H](C)n2cc(Br)cn2)C[C@H]1[NH+](C)C ZINC000592779724 532462905 /nfs/dbraw/zinc/46/29/05/532462905.db2.gz HRSBPRVYCOHWBL-CYZMBNFOSA-N 1 0 375.336 2.101 20 0 GEADRO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000562381250 532463440 /nfs/dbraw/zinc/46/34/40/532463440.db2.gz AOZAPBHSRSSITN-NEPJUHHUSA-N 1 0 390.347 2.089 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)ccc1S(=O)(=O)C(F)F ZINC000282443449 532468146 /nfs/dbraw/zinc/46/81/46/532468146.db2.gz URDSLZGAGXDQRK-SDWAUSNYSA-N 1 0 381.466 2.253 20 0 GEADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1c(Cl)cnn1C ZINC000373778055 532468179 /nfs/dbraw/zinc/46/81/79/532468179.db2.gz QQDYVILSGCUOJF-CJNGLKHVSA-N 1 0 380.901 2.379 20 0 GEADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000429003966 532468554 /nfs/dbraw/zinc/46/85/54/532468554.db2.gz ZAXFAXGCNRXXIN-KGLIPLIRSA-N 1 0 389.924 2.271 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000628467449 532469386 /nfs/dbraw/zinc/46/93/86/532469386.db2.gz WHQQLDJVTPFUQN-GHMZBOCLSA-N 1 0 380.080 2.033 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000429067996 532469759 /nfs/dbraw/zinc/46/97/59/532469759.db2.gz BGBZOWSHVDUUQZ-DOMZBBRYSA-N 1 0 382.302 2.011 20 0 GEADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000429063594 532469869 /nfs/dbraw/zinc/46/98/69/532469869.db2.gz XXKVHWMEJVZDND-INIZCTEOSA-N 1 0 387.933 2.462 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)CSc1nncn1-c1cccc(Cl)c1)C2 ZINC000684171204 532470866 /nfs/dbraw/zinc/47/08/66/532470866.db2.gz FTSVBMOLQYQZNS-UHFFFAOYSA-N 1 0 377.901 2.177 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000519590463 532470959 /nfs/dbraw/zinc/47/09/59/532470959.db2.gz JSILVCIHMPSFNE-CABCVRRESA-N 1 0 383.334 2.055 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000373786504 532471127 /nfs/dbraw/zinc/47/11/27/532471127.db2.gz KACUVJSHYVVPRK-CQSZACIVSA-N 1 0 387.933 2.147 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000628546795 532471260 /nfs/dbraw/zinc/47/12/60/532471260.db2.gz XZOVSQLSHQPYSK-ZDUSSCGKSA-N 1 0 398.301 2.295 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)CCN1c1cccc(Br)c1 ZINC000684201835 532471741 /nfs/dbraw/zinc/47/17/41/532471741.db2.gz YLSZNBMXBBQGJG-DOMZBBRYSA-N 1 0 390.285 2.082 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000429232503 532471884 /nfs/dbraw/zinc/47/18/84/532471884.db2.gz BPNZAOFDVHMSMV-MRVPVSSYSA-N 1 0 396.207 2.378 20 0 GEADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)N1CCCOCC1 ZINC000651532943 532473074 /nfs/dbraw/zinc/47/30/74/532473074.db2.gz KCPVFIVRVFDAEG-UHFFFAOYSA-N 1 0 375.579 2.365 20 0 GEADRO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@@H](CSC)C1 ZINC000429310624 532473133 /nfs/dbraw/zinc/47/31/33/532473133.db2.gz UOOBAWHFMOVMPS-OAHLLOKOSA-N 1 0 383.583 2.288 20 0 GEADRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000519539823 532467329 /nfs/dbraw/zinc/46/73/29/532467329.db2.gz KSNLAQDDHFOZJT-OAHLLOKOSA-N 1 0 386.945 2.004 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000429443863 532476764 /nfs/dbraw/zinc/47/67/64/532476764.db2.gz DNSGGIIYUVHZGA-ZDUSSCGKSA-N 1 0 381.464 2.449 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000429427342 532477150 /nfs/dbraw/zinc/47/71/50/532477150.db2.gz GRCOMOFRIZIXJY-STQMWFEESA-N 1 0 378.332 2.013 20 0 GEADRO C[C@@H](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)n1cc(Br)cn1 ZINC000628904210 532477455 /nfs/dbraw/zinc/47/74/55/532477455.db2.gz BYPDMKVBHMMXCF-AWEZNQCLSA-N 1 0 399.333 2.310 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000520661914 532496786 /nfs/dbraw/zinc/49/67/86/532496786.db2.gz JXBHXKGWKODAOM-DZGCQCFKSA-N 1 0 380.432 2.148 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000195480369 532478044 /nfs/dbraw/zinc/47/80/44/532478044.db2.gz BTSJBJAFRCCRKN-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651578343 532478072 /nfs/dbraw/zinc/47/80/72/532478072.db2.gz MBQHBIXGXLIJSN-UHFFFAOYSA-N 1 0 375.343 2.443 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000195480373 532478331 /nfs/dbraw/zinc/47/83/31/532478331.db2.gz MLGLBSUSEZUUTF-UHFFFAOYSA-N 1 0 398.301 2.388 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000519777227 532478702 /nfs/dbraw/zinc/47/87/02/532478702.db2.gz QSRRNHSAQYQTCD-QWHCGFSZSA-N 1 0 394.313 2.307 20 0 GEADRO CCCC[C@H]([NH3+])C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000236801534 532496710 /nfs/dbraw/zinc/49/67/10/532496710.db2.gz STWPAJPKDIMJDZ-HNNXBMFYSA-N 1 0 387.571 2.099 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1sc2ccccc2c1Cl)N1CC[NH+](C)CC1 ZINC000562714971 532479488 /nfs/dbraw/zinc/47/94/88/532479488.db2.gz RRNYVYSGMJIQTQ-LBPRGKRZSA-N 1 0 387.958 2.469 20 0 GEADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)s1 ZINC000651582515 532479697 /nfs/dbraw/zinc/47/96/97/532479697.db2.gz OAMXEBGVZUXREE-CQSZACIVSA-N 1 0 388.375 2.315 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)COc1cccc(I)c1 ZINC000519823543 532479746 /nfs/dbraw/zinc/47/97/46/532479746.db2.gz QSOJYGZJBJQEFA-JRPNMDOOSA-N 1 0 388.249 2.173 20 0 GEADRO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000195652022 532480081 /nfs/dbraw/zinc/48/00/81/532480081.db2.gz XTRHSHALMKYSGV-YPMHNXCESA-N 1 0 391.693 2.053 20 0 GEADRO C[C@@](O)(C[NH2+]CCCNC(=O)c1ccc(Br)cc1)C(F)(F)F ZINC000519818034 532480593 /nfs/dbraw/zinc/48/05/93/532480593.db2.gz JIWJRFLZZXICDE-CYBMUJFWSA-N 1 0 383.208 2.472 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc(C(F)F)ccc2F)CCSC1 ZINC000651599194 532480808 /nfs/dbraw/zinc/48/08/08/532480808.db2.gz LBHVLSZBOYPRFO-INIZCTEOSA-N 1 0 375.416 2.255 20 0 GEADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCc3c(Br)cccc3C2)C[C@@H](C)O1 ZINC000520694995 532496826 /nfs/dbraw/zinc/49/68/26/532496826.db2.gz JVYVNRLKBNWDCR-FMKPAKJESA-N 1 0 383.330 2.277 20 0 GEADRO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ncc(Br)cn1 ZINC000519869347 532481545 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CCOc1ccc(Br)cc1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652643555 532517599 /nfs/dbraw/zinc/51/75/99/532517599.db2.gz PWXCTSZETAVKRW-UHFFFAOYSA-N 1 0 398.301 2.292 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1Br ZINC000652642968 532517809 /nfs/dbraw/zinc/51/78/09/532517809.db2.gz RYDUXVCXEIQWMX-UHFFFAOYSA-N 1 0 398.301 2.292 20 0 GEADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000283103773 532518220 /nfs/dbraw/zinc/51/82/20/532518220.db2.gz XICVREPVHKBEGS-UHFFFAOYSA-N 1 0 379.935 2.045 20 0 GEADRO COC[C@]1(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCC[NH2+]1 ZINC000563107350 532497658 /nfs/dbraw/zinc/49/76/58/532497658.db2.gz BWDZGYNUMMTEDR-RHSMWYFYSA-N 1 0 383.901 2.028 20 0 GEADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1cccc(I)c1 ZINC000563129301 532497921 /nfs/dbraw/zinc/49/79/21/532497921.db2.gz LWMSDWJPGDOMKZ-GFCCVEGCSA-N 1 0 394.278 2.102 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)COc1ccc(I)cc1 ZINC000236843921 532498183 /nfs/dbraw/zinc/49/81/83/532498183.db2.gz FWUIMYYCXVICQS-GFCCVEGCSA-N 1 0 376.238 2.160 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cnn(-c2cc(Cl)ccc2OC)c1 ZINC000236824519 532498227 /nfs/dbraw/zinc/49/82/27/532498227.db2.gz YGSJUBFKGJEUSQ-UHFFFAOYSA-N 1 0 386.905 2.330 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000469275401 532499315 /nfs/dbraw/zinc/49/93/15/532499315.db2.gz RAYFIXWNMRNYRF-UHFFFAOYSA-N 1 0 375.560 2.415 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000374377018 532499352 /nfs/dbraw/zinc/49/93/52/532499352.db2.gz YYNAWLCWLYDZRD-UHFFFAOYSA-N 1 0 395.301 2.244 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000521859942 532519388 /nfs/dbraw/zinc/51/93/88/532519388.db2.gz BSOPLOZYXUPBSK-CZUORRHYSA-N 1 0 381.929 2.154 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC000685847946 532500137 /nfs/dbraw/zinc/50/01/37/532500137.db2.gz WCTIQJTXVYVLIR-OAHLLOKOSA-N 1 0 377.913 2.272 20 0 GEADRO CC[NH2+]CCNC(=O)CCCOc1ccc(I)cc1 ZINC000236895172 532500768 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GEADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)C[C@H]2CCC2(F)F)CC1 ZINC000632164464 532585114 /nfs/dbraw/zinc/58/51/14/532585114.db2.gz LMMKCELIHHHLCU-MRXNPFEDSA-N 1 0 382.517 2.432 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(O)cc(Br)c1 ZINC000528873946 532585242 /nfs/dbraw/zinc/58/52/42/532585242.db2.gz CNZSDKXQKAYBSV-BMFZPTHFSA-N 1 0 383.286 2.478 20 0 GEADRO C[C@@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)c1cnn(C)c1 ZINC000565935939 532585316 /nfs/dbraw/zinc/58/53/16/532585316.db2.gz PKSVAKDRNIGLKC-LLVKDONJSA-N 1 0 394.273 2.156 20 0 GEADRO O=C(CC[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)Nc1cccc(Cl)c1 ZINC000565945994 532585337 /nfs/dbraw/zinc/58/53/37/532585337.db2.gz DZYCEMCUZFNBDO-UHFFFAOYSA-N 1 0 385.917 2.215 20 0 GEADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(Br)cn2)cn1 ZINC000433990190 532585539 /nfs/dbraw/zinc/58/55/39/532585539.db2.gz LQTBTNMGJMDUKJ-ZBFHGGJFSA-N 1 0 378.274 2.170 20 0 GEADRO O=c1c(I)cc(F)cn1Cc1cccc2c1CC[NH2+]C2 ZINC000596070276 532585830 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CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262161521 532586922 /nfs/dbraw/zinc/58/69/22/532586922.db2.gz ZYBFUTPWSDEBAB-MKBNYLNASA-N 1 0 375.897 2.215 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000566007159 532587385 /nfs/dbraw/zinc/58/73/85/532587385.db2.gz JBUGLPDSJBEIIV-AWEZNQCLSA-N 1 0 392.301 2.339 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655431496 532587982 /nfs/dbraw/zinc/58/79/82/532587982.db2.gz OXAUDGJRANAJFI-SUMWQHHRSA-N 1 0 380.286 2.202 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000473327856 532588158 /nfs/dbraw/zinc/58/81/58/532588158.db2.gz FOJAKCPQSIEUSX-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)ccc1Cl ZINC000375966204 532588160 /nfs/dbraw/zinc/58/81/60/532588160.db2.gz XKENSZUUQFDNJM-INIZCTEOSA-N 1 0 378.881 2.360 20 0 GEADRO C[C@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)C1C[NH2+]C1 ZINC000262202174 532588843 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GEADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccccc2Br)CC[N@@H+]1C ZINC000283980658 532571453 /nfs/dbraw/zinc/57/14/53/532571453.db2.gz ZVRYDNJIIDJVEG-TZMCWYRMSA-N 1 0 382.302 2.006 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC000631994234 532572091 /nfs/dbraw/zinc/57/20/91/532572091.db2.gz IEAFBLJMESXZCV-NHYWBVRUSA-N 1 0 389.880 2.200 20 0 GEADRO COC[C@@H]1CN(CC(=O)N(C)Cc2ccccc2Br)C[C@H](C)O1 ZINC000251535243 532572176 /nfs/dbraw/zinc/57/21/76/532572176.db2.gz DJUDELHAWYKGJL-ZFWWWQNUSA-N 1 0 385.302 2.143 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000472331824 532572311 /nfs/dbraw/zinc/57/23/11/532572311.db2.gz YPOIDAUPYMKRPK-MRXNPFEDSA-N 1 0 397.313 2.104 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC000631994235 532572460 /nfs/dbraw/zinc/57/24/60/532572460.db2.gz IEAFBLJMESXZCV-XHDPSFHLSA-N 1 0 389.880 2.200 20 0 GEADRO CN(C(=O)NCCCCn1cc(Br)cn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000472325817 532572544 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CS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cs1 ZINC000297215862 532574620 /nfs/dbraw/zinc/57/46/20/532574620.db2.gz NTQVIZYRKYNRDG-HUUCEWRRSA-N 1 0 382.482 2.248 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000654890134 532574810 /nfs/dbraw/zinc/57/48/10/532574810.db2.gz JWJGAFZKGQUFLJ-WAAGHKOSSA-N 1 0 390.228 2.122 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000595906078 532575795 /nfs/dbraw/zinc/57/57/95/532575795.db2.gz WFWAFDPWOOGYNA-SECBINFHSA-N 1 0 387.299 2.134 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000565765467 532575909 /nfs/dbraw/zinc/57/59/09/532575909.db2.gz PFLOHNPSUOYCFZ-LBPRGKRZSA-N 1 0 381.889 2.986 20 0 GEADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654948799 532575919 /nfs/dbraw/zinc/57/59/19/532575919.db2.gz GMPAACZUNNRGHW-NXEZZACHSA-N 1 0 376.404 2.234 20 0 GEADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ncsc2Br)CC[N@@H+]1C ZINC000632027247 532576645 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GEADRO COCC1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC[NH2+]CC1 ZINC000261977759 532579138 /nfs/dbraw/zinc/57/91/38/532579138.db2.gz IVXXZHAEIWSHQJ-UHFFFAOYSA-N 1 0 384.395 2.139 20 0 GEADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccnc(C)c2Br)CC1 ZINC000565830083 532579288 /nfs/dbraw/zinc/57/92/88/532579288.db2.gz VHVXYNJGCSMKFK-UHFFFAOYSA-N 1 0 385.306 2.149 20 0 GEADRO Cc1cc(NC(=O)CN2C[C@](C)(CO)[C@](C)(CO)C2)ccc1Br ZINC000528754062 532579591 /nfs/dbraw/zinc/57/95/91/532579591.db2.gz VPKDZROOMUNPED-CALCHBBNSA-N 1 0 385.302 2.009 20 0 GEADRO C[C@]1(CO)C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@]1(C)CO ZINC000528751517 532579629 /nfs/dbraw/zinc/57/96/29/532579629.db2.gz UAIYWNVOEFRBBQ-RRQGHBQHSA-N 1 0 378.296 2.046 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000261973871 532579880 /nfs/dbraw/zinc/57/98/80/532579880.db2.gz ZIEWOMHKDPKFOL-HOCLYGCPSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1nnc(COCC(=O)NCC2([NH+]3CCSCC3)CCCCC2)s1 ZINC000375758577 532580550 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GEADRO CCOC(=O)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)o1 ZINC000597180982 532613805 /nfs/dbraw/zinc/61/38/05/532613805.db2.gz YOXHVXXBBLPRNP-UHFFFAOYSA-N 1 0 396.241 2.133 20 0 GEADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566496555 532614017 /nfs/dbraw/zinc/61/40/17/532614017.db2.gz RXIZXRVVNNQYEW-ZJUUUORDSA-N 1 0 396.925 2.217 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000656333740 532614327 /nfs/dbraw/zinc/61/43/27/532614327.db2.gz KBGWVUYRZLXJNN-FZMZJTMJSA-N 1 0 394.313 2.115 20 0 GEADRO COCC1(C(=O)Nc2ccc(I)cc2F)CC[NH2+]CC1 ZINC000566508683 532614675 /nfs/dbraw/zinc/61/46/75/532614675.db2.gz XZDUKKBWIAPJCY-UHFFFAOYSA-N 1 0 392.212 2.385 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cc(Br)cc4c3OCC4)C[C@@H]12 ZINC000566551403 532615670 /nfs/dbraw/zinc/61/56/70/532615670.db2.gz ZJXATXPMQCCMID-KCPJHIHWSA-N 1 0 380.286 2.263 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656360862 532616138 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C[C@@]12COC[C@]1(C)C[N@H+]([C@@H]1CC(=O)N(c3ccc(Br)cc3)C1=O)C2 ZINC000656477132 532621008 /nfs/dbraw/zinc/62/10/08/532621008.db2.gz CVRGJBXUKHMWLQ-OLMNPRSZSA-N 1 0 393.281 2.439 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCOC[C@@H]1CC(F)F ZINC000376642858 532621090 /nfs/dbraw/zinc/62/10/90/532621090.db2.gz VSDFUHXINUKVHX-AWEZNQCLSA-N 1 0 377.501 2.414 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)Cc1ncsc1Br ZINC000632259534 532596199 /nfs/dbraw/zinc/59/61/99/532596199.db2.gz MYWBFNJXEVKRDZ-UHFFFAOYSA-N 1 0 382.349 2.152 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000566163301 532596487 /nfs/dbraw/zinc/59/64/87/532596487.db2.gz JOONWQGZACRGFQ-NVXWUHKLSA-N 1 0 377.897 2.475 20 0 GEADRO COCC1(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)CC[NH2+]CC1 ZINC000566171793 532597520 /nfs/dbraw/zinc/59/75/20/532597520.db2.gz VKAGIXHKDLXFAY-UHFFFAOYSA-N 1 0 399.314 2.855 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(Br)c1 ZINC000284523260 532597871 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C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000632297734 532599466 /nfs/dbraw/zinc/59/94/66/532599466.db2.gz OOPQYQSYHBCQIJ-SAABIXHNSA-N 1 0 385.961 2.143 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000434715454 532600135 /nfs/dbraw/zinc/60/01/35/532600135.db2.gz YWLWFSGOPVFYKO-SMDDNHRTSA-N 1 0 383.290 2.217 20 0 GEADRO O=C(c1ccc(Br)c(F)c1F)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000529387992 532600423 /nfs/dbraw/zinc/60/04/23/532600423.db2.gz NIUPALQOHPTBMB-UWVGGRQHSA-N 1 0 375.213 2.008 20 0 GEADRO O=C(CCc1cc(F)ccc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566188709 532600491 /nfs/dbraw/zinc/60/04/91/532600491.db2.gz FUDZWGXUIHZQIQ-OAHLLOKOSA-N 1 0 384.293 2.027 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000262785885 532600910 /nfs/dbraw/zinc/60/09/10/532600910.db2.gz ZQKQCKJKRFOMCR-GARJFASQSA-N 1 0 388.331 2.357 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCc4c(nnn4C)C3)cnc12 ZINC000655840725 532601589 /nfs/dbraw/zinc/60/15/89/532601589.db2.gz INYSGJUEAHXSLX-LBPRGKRZSA-N 1 0 375.274 2.181 20 0 GEADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655910430 532601948 /nfs/dbraw/zinc/60/19/48/532601948.db2.gz SFGRIHIIYNEVBE-JTQLQIEISA-N 1 0 387.189 2.463 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000473914757 532602077 /nfs/dbraw/zinc/60/20/77/532602077.db2.gz XAIWBJKFEHBMOL-OCCSQVGLSA-N 1 0 376.906 2.126 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000262816936 532602170 /nfs/dbraw/zinc/60/21/70/532602170.db2.gz ZNTBPSFWZCTXQO-LBPRGKRZSA-N 1 0 378.922 2.359 20 0 GEADRO CN(C)C1(CS(=O)(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000632331175 532602525 /nfs/dbraw/zinc/60/25/25/532602525.db2.gz HJSDFXUPUAPTAA-AWEZNQCLSA-N 1 0 381.325 2.431 20 0 GEADRO COC[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000434791219 532602898 /nfs/dbraw/zinc/60/28/98/532602898.db2.gz BJTIQBKPCISBNA-CABCVRRESA-N 1 0 375.296 2.436 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(O)cc(Br)c2)CC1 ZINC000529471451 532603137 /nfs/dbraw/zinc/60/31/37/532603137.db2.gz XRHSZKPWCJXBBA-UHFFFAOYSA-N 1 0 384.318 2.301 20 0 GEADRO NS(=O)(=O)c1cc(Cl)cc(CN2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000566306246 532603561 /nfs/dbraw/zinc/60/35/61/532603561.db2.gz JWURKEHWLFMJBZ-MRXNPFEDSA-N 1 0 381.885 2.174 20 0 GEADRO COc1cc(NC(=O)N[C@H](C[NH3+])C(F)(F)F)cc(OC)c1Br ZINC000655919819 532603881 /nfs/dbraw/zinc/60/38/81/532603881.db2.gz CQWFCAKKYISMNE-SECBINFHSA-N 1 0 386.168 2.477 20 0 GEADRO C[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)Oc1ccccc1Br ZINC000655921086 532604017 /nfs/dbraw/zinc/60/40/17/532604017.db2.gz OBPNPPXTSAAQKP-GZMMTYOYSA-N 1 0 384.196 2.405 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC[NH2+]1 ZINC000262861821 532605013 /nfs/dbraw/zinc/60/50/13/532605013.db2.gz LJKOPEUCQYZCHQ-JHJVBQTASA-N 1 0 380.286 2.059 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000530445618 532621713 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GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)CC12CCOCC2 ZINC000566738120 532626978 /nfs/dbraw/zinc/62/69/78/532626978.db2.gz MRAJQCWFLSXUJA-LBPRGKRZSA-N 1 0 397.269 2.005 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000566844000 532627472 /nfs/dbraw/zinc/62/74/72/532627472.db2.gz SHYFQMZSINQGQE-LBPRGKRZSA-N 1 0 379.262 2.246 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376775708 532629074 /nfs/dbraw/zinc/62/90/74/532629074.db2.gz FOHGFVLLRVVTCL-CYBMUJFWSA-N 1 0 397.850 2.027 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000284883132 532629913 /nfs/dbraw/zinc/62/99/13/532629913.db2.gz VVWABHWONIPLRJ-NEPJUHHUSA-N 1 0 383.290 2.019 20 0 GEADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000376795420 532630489 /nfs/dbraw/zinc/63/04/89/532630489.db2.gz DKWSRGSXJHXPCM-YDHLFZDLSA-N 1 0 378.416 2.149 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3ccccc3C(F)(F)F)CC2)C1 ZINC000376799350 532630582 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CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)s1 ZINC000566990347 532633930 /nfs/dbraw/zinc/63/39/30/532633930.db2.gz YKSZHSJRNXCFHM-GHMZBOCLSA-N 1 0 375.489 2.383 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(Cc3nc(-c4ccc(Br)s4)no3)[C@H]2C1 ZINC000284962487 532634377 /nfs/dbraw/zinc/63/43/77/532634377.db2.gz WKXIQBKSBLPBHA-WDEREUQCSA-N 1 0 399.314 2.466 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000566973089 532634652 /nfs/dbraw/zinc/63/46/52/532634652.db2.gz PGKQIWFPKDTQAS-UWVGGRQHSA-N 1 0 385.313 2.423 20 0 GEADRO COc1ccc(NC(=O)NCCC[N@H+](C)CCN(C)C)cc1Br ZINC000436501583 532635777 /nfs/dbraw/zinc/63/57/77/532635777.db2.gz AWXOYIQPCHGONL-UHFFFAOYSA-N 1 0 387.322 2.463 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c(Br)c1 ZINC000284970562 532635803 /nfs/dbraw/zinc/63/58/03/532635803.db2.gz IGVLXHNNZUPKPP-HIFRSBDPSA-N 1 0 388.302 2.483 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000284975653 532636328 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COc1ccsc1S(=O)(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000531866014 532638211 /nfs/dbraw/zinc/63/82/11/532638211.db2.gz CURRSFHGWVGBBG-UHFFFAOYSA-N 1 0 388.555 2.459 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000263746805 532639288 /nfs/dbraw/zinc/63/92/88/532639288.db2.gz XMUZUASKYMLKJN-UHFFFAOYSA-N 1 0 392.283 2.025 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000531873070 532640350 /nfs/dbraw/zinc/64/03/50/532640350.db2.gz JJGYBZREVPLSFN-UHFFFAOYSA-N 1 0 388.295 2.283 20 0 GEADRO CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1c(Cl)cnn1C ZINC000377087258 532641085 /nfs/dbraw/zinc/64/10/85/532641085.db2.gz VGEJGCCERJZLMW-UHFFFAOYSA-N 1 0 382.917 2.359 20 0 GEADRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)Cn1cc(Br)ccc1=O ZINC000377080805 532641311 /nfs/dbraw/zinc/64/13/11/532641311.db2.gz VQDRCBGPKPKYKG-CQSZACIVSA-N 1 0 392.253 2.056 20 0 GEADRO O=S(=O)(c1ncccc1Br)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000656898214 532641539 /nfs/dbraw/zinc/64/15/39/532641539.db2.gz UDKFCERORWFRHH-CYBMUJFWSA-N 1 0 388.331 2.483 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2csc3ccccc32)CC1 ZINC000285055519 532642700 /nfs/dbraw/zinc/64/27/00/532642700.db2.gz ADWUSWMVVGDZMI-OAHLLOKOSA-N 1 0 381.567 2.453 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CCc2ccccc2Cl)CC1 ZINC000656917253 532645008 /nfs/dbraw/zinc/64/50/08/532645008.db2.gz HTKFRYUIGBMXFE-INIZCTEOSA-N 1 0 387.977 2.076 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000633038265 532659789 /nfs/dbraw/zinc/65/97/89/532659789.db2.gz GAWHWNITQAAZII-YUMQZZPRSA-N 1 0 394.191 2.355 20 0 GEADRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377535832 532660011 /nfs/dbraw/zinc/66/00/11/532660011.db2.gz MQBHXRIWQBFGIT-OAHLLOKOSA-N 1 0 376.400 2.196 20 0 GEADRO [NH3+][C@H]1CCc2nc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)sc2C1 ZINC000377535163 532660120 /nfs/dbraw/zinc/66/01/20/532660120.db2.gz CIOZCUZBJZVGNR-JTQLQIEISA-N 1 0 385.898 2.025 20 0 GEADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377535383 532660295 /nfs/dbraw/zinc/66/02/95/532660295.db2.gz GOMZWKADPSNYSS-IXDOHACOSA-N 1 0 378.314 2.059 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567734510 532660395 /nfs/dbraw/zinc/66/03/95/532660395.db2.gz MSCZFCJZKGMVDD-CHWSQXEVSA-N 1 0 386.901 2.137 20 0 GEADRO O=C(CC[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1)Nc1cccc(Br)c1 ZINC000298582575 532661132 /nfs/dbraw/zinc/66/11/32/532661132.db2.gz RCBUESKIHACRRE-UHFFFAOYSA-N 1 0 394.273 2.069 20 0 GEADRO Ic1cnc(C[NH2+]CCCOC[C@H]2CCCO2)s1 ZINC000285243083 532662508 /nfs/dbraw/zinc/66/25/08/532662508.db2.gz ADFBWLYRCXYNTP-SNVBAGLBSA-N 1 0 382.267 2.423 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633195225 532662821 /nfs/dbraw/zinc/66/28/21/532662821.db2.gz CUSVWLUUNLAOGP-HUUCEWRRSA-N 1 0 393.285 2.032 20 0 GEADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cc(Br)cc2cccnc21 ZINC000567809853 532665557 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CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1I ZINC000477928903 532656147 /nfs/dbraw/zinc/65/61/47/532656147.db2.gz GKAFULRYYNRQDJ-STQMWFEESA-N 1 0 393.265 2.356 20 0 GEADRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)C[C@@H](O)c1cccc(Br)c1 ZINC000298529697 532656320 /nfs/dbraw/zinc/65/63/20/532656320.db2.gz WICYCOKQVPCKFE-CQSZACIVSA-N 1 0 398.301 2.135 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000633012465 532656571 /nfs/dbraw/zinc/65/65/71/532656571.db2.gz FLSITPOXWFIJEJ-LLVKDONJSA-N 1 0 384.274 2.126 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)s1 ZINC000298517521 532657064 /nfs/dbraw/zinc/65/70/64/532657064.db2.gz WWTMOHHINCJFRP-ZDUSSCGKSA-N 1 0 385.555 2.167 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)ccc1Br ZINC000633007635 532657190 /nfs/dbraw/zinc/65/71/90/532657190.db2.gz BEJRDLSGNTXYOL-UHFFFAOYSA-N 1 0 396.285 2.125 20 0 GEADRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000567497232 532657574 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2.128 20 0 GEADRO O=c1cc(C[N@@H+]2CCC3(C2)CCOCC3)nc2ccc(Br)cn12 ZINC000532989009 532659214 /nfs/dbraw/zinc/65/92/14/532659214.db2.gz NYKVWNXLMHIPDX-UHFFFAOYSA-N 1 0 378.270 2.460 20 0 GEADRO CO[C@@H]1CC[C@@H]2OCCN(Cc3cnn4cc(Br)cnc34)[C@@H]2C1 ZINC000638180061 532683978 /nfs/dbraw/zinc/68/39/78/532683978.db2.gz LAPBTUXWOAESAC-KFWWJZLASA-N 1 0 381.274 2.260 20 0 GEADRO Fc1cc2ncnc(N3CC[C@H](N4CC[NH2+]CC4)C3)c2cc1Br ZINC000663239250 532684553 /nfs/dbraw/zinc/68/45/53/532684553.db2.gz IMGFPPRMQHSMHP-NSHDSACASA-N 1 0 380.265 2.015 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638201541 532685924 /nfs/dbraw/zinc/68/59/24/532685924.db2.gz MLVIMWNDQQOUKN-WQVCFCJDSA-N 1 0 394.313 2.054 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000567891436 532669845 /nfs/dbraw/zinc/66/98/45/532669845.db2.gz FTNARWAOQLIEBX-LLVKDONJSA-N 1 0 377.304 2.109 20 0 GEADRO CS[C@H]1CN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C[C@H]1[NH+](C)C ZINC000534280590 532670880 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C[NH+](C)[C@]1(CNC(=O)NCc2ccc(O)c(Br)c2)CCSC1 ZINC000482598119 532673152 /nfs/dbraw/zinc/67/31/52/532673152.db2.gz OQANWTKQVRZLEP-HNNXBMFYSA-N 1 0 388.331 2.391 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)COc3cccc(Br)c3)C2)CC1 ZINC000264438658 532673538 /nfs/dbraw/zinc/67/35/38/532673538.db2.gz NTJDDDRUMVKMBP-INIZCTEOSA-N 1 0 396.329 2.066 20 0 GEADRO CC[NH+](CC)CC(=O)N[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000600356815 532673946 /nfs/dbraw/zinc/67/39/46/532673946.db2.gz NNRNZOZJBMXHNA-GOSISDBHSA-N 1 0 397.313 2.308 20 0 GEADRO CC[C@@H](C(=O)N[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1)[NH+](C)C ZINC000600357308 532674166 /nfs/dbraw/zinc/67/41/66/532674166.db2.gz PUHQLRXQVHRMJM-MAUKXSAKSA-N 1 0 397.313 2.306 20 0 GEADRO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C[C@@H]1O ZINC000534863268 532674226 /nfs/dbraw/zinc/67/42/26/532674226.db2.gz GTTQUUHJBRAEFP-WDMOLILDSA-N 1 0 388.249 2.321 20 0 GEADRO CCC[N@H+](C)CC(=O)N[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000600358272 532674242 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CN(CC[NH2+]C[C@H]1CCN(c2ccccc2)C1)S(=O)(=O)c1cccs1 ZINC000638788302 532686835 /nfs/dbraw/zinc/68/68/35/532686835.db2.gz LWLUAZRZIVCJJX-MRXNPFEDSA-N 1 0 379.551 2.485 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000638074005 532680772 /nfs/dbraw/zinc/68/07/72/532680772.db2.gz ZNKACQABCLPNNB-UHFFFAOYSA-N 1 0 399.314 2.130 20 0 GEADRO C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3CSCCS3)CC2)C[C@@H](C)O1 ZINC000378130511 532681290 /nfs/dbraw/zinc/68/12/90/532681290.db2.gz YMXOHRKZNOTBFI-BFYDXBDKSA-N 1 0 387.615 2.366 20 0 GEADRO COc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1Br ZINC000378153030 532681381 /nfs/dbraw/zinc/68/13/81/532681381.db2.gz RHURXJJYWFWVHO-SFHVURJKSA-N 1 0 399.329 2.429 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc3c(s2)CCS(=O)(=O)C3)C1 ZINC000378135863 532681637 /nfs/dbraw/zinc/68/16/37/532681637.db2.gz FBWFEDCQQKXLNZ-CQSZACIVSA-N 1 0 384.567 2.461 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000600766039 532681795 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O[C@H](C[NH2+][C@@H]1CCN(CC(F)F)C1)COc1ccc(Br)cc1 ZINC000568992138 532688109 /nfs/dbraw/zinc/68/81/09/532688109.db2.gz XDNJPJPRONMBNH-CHWSQXEVSA-N 1 0 379.245 2.118 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000569145142 532689520 /nfs/dbraw/zinc/68/95/20/532689520.db2.gz LADZALVCGCQCQI-CYBMUJFWSA-N 1 0 384.318 2.474 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1Cl ZINC000639233003 532690474 /nfs/dbraw/zinc/69/04/74/532690474.db2.gz SUYXDMCFXIOSRW-GDBMZVCRSA-N 1 0 381.885 2.392 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000378320448 532690486 /nfs/dbraw/zinc/69/04/86/532690486.db2.gz ZOSCACJPERWGJW-QWHCGFSZSA-N 1 0 380.286 2.439 20 0 GEADRO OCC1([C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C2CC2)CCOCC1 ZINC000639209907 532691160 /nfs/dbraw/zinc/69/11/60/532691160.db2.gz AUIYNFRBUDNZKG-OAHLLOKOSA-N 1 0 395.301 2.149 20 0 GEADRO Cc1ccc(S(=O)(=O)NCc2cnc(N(C)C)n2C)cc1Br ZINC000266145641 532704660 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CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)[C@H](C)C1 ZINC000266214933 532708246 /nfs/dbraw/zinc/70/82/46/532708246.db2.gz RCTVLURAUMMKTB-DOMZBBRYSA-N 1 0 388.917 2.477 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1Br ZINC000494331187 532718222 /nfs/dbraw/zinc/71/82/22/532718222.db2.gz IWSHTTAUXJSVTJ-UHFFFAOYSA-N 1 0 383.290 2.367 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(Br)c2ncccc12 ZINC000667868038 532709292 /nfs/dbraw/zinc/70/92/92/532709292.db2.gz PSSLHIHWCSUWPV-GFCCVEGCSA-N 1 0 392.301 2.365 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1Br ZINC000440353033 532709753 /nfs/dbraw/zinc/70/97/53/532709753.db2.gz WQZHOYVPPUYQBG-UHFFFAOYSA-N 1 0 377.304 2.207 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)Cc2nccn2CC(F)(F)F)cs1 ZINC000266228627 532709994 /nfs/dbraw/zinc/70/99/94/532709994.db2.gz XWARDXAKGVIDGC-UHFFFAOYSA-N 1 0 397.400 2.114 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000266227771 532710020 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O=S(=O)(NC[C@H]1CCC[NH2+]1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000440358097 532712141 /nfs/dbraw/zinc/71/21/41/532712141.db2.gz SMIRLGOGDWVTKG-GFCCVEGCSA-N 1 0 384.395 2.134 20 0 GEADRO CCn1nc2c(cc1=O)C[N@@H+](CCOc1ccc(Br)cc1)CC2 ZINC000608096847 532713034 /nfs/dbraw/zinc/71/30/34/532713034.db2.gz VAWHWTGILYYCFB-UHFFFAOYSA-N 1 0 378.270 2.463 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)NCCc3ccc(Cl)cc3Cl)C[C@H]2[NH3+])cn1 ZINC000644196718 532713211 /nfs/dbraw/zinc/71/32/11/532713211.db2.gz YVOHNUZGEGLEQK-GOEBONIOSA-N 1 0 382.295 2.406 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000669120331 532713292 /nfs/dbraw/zinc/71/32/92/532713292.db2.gz UKAQLVJBSBJPCS-ZANVPECISA-N 1 0 381.274 2.443 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000669120330 532713630 /nfs/dbraw/zinc/71/36/30/532713630.db2.gz UKAQLVJBSBJPCS-TVQRCGJNSA-N 1 0 381.274 2.443 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000574383688 532713778 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O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670494746 532717201 /nfs/dbraw/zinc/71/72/01/532717201.db2.gz KXLYJZMIFLJXDB-OAHLLOKOSA-N 1 0 384.307 2.253 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3cc(Br)cnc23)C[C@H]1C ZINC000538742379 532717262 /nfs/dbraw/zinc/71/72/62/532717262.db2.gz KJQMUHJWTCKPJU-YPMHNXCESA-N 1 0 380.290 2.437 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)Cc2cccc(F)c2F)CC1 ZINC000645576156 532717327 /nfs/dbraw/zinc/71/73/27/532717327.db2.gz NPYRLLWHHTZBRX-UHFFFAOYSA-N 1 0 376.469 2.274 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3ccc(Cl)cc3Cl)[C@H]2C1 ZINC000670496150 532718013 /nfs/dbraw/zinc/71/80/13/532718013.db2.gz GUMOISJINTYXBJ-CJNGLKHVSA-N 1 0 384.307 2.205 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCSCC(F)(F)F)CC1 ZINC000538809755 532720101 /nfs/dbraw/zinc/72/01/01/532720101.db2.gz FRAWUTSZXHINHB-CQSZACIVSA-N 1 0 382.496 2.093 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000285932681 532720322 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GEADRO O=S(=O)(C1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1)N1CCCC1 ZINC000504544471 532748495 /nfs/dbraw/zinc/74/84/95/532748495.db2.gz DHYRWCGKQZINLU-UHFFFAOYSA-N 1 0 380.539 2.324 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000616078909 532748690 /nfs/dbraw/zinc/74/86/90/532748690.db2.gz FZZUMQDRSYYCSL-SFHVURJKSA-N 1 0 388.339 2.345 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000541169330 532749417 /nfs/dbraw/zinc/74/94/17/532749417.db2.gz HMWKOSARZGJCFC-JTQLQIEISA-N 1 0 384.274 2.240 20 0 GEADRO CCc1n[nH]c(C(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)c1Br ZINC000286485699 532751231 /nfs/dbraw/zinc/75/12/31/532751231.db2.gz SSOUELVCLHYXCE-RYUDHWBXSA-N 1 0 385.306 2.060 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(F)c1Br ZINC000411256590 532751226 /nfs/dbraw/zinc/75/12/26/532751226.db2.gz RCPJDHRRGBQQAD-QWRGUYRKSA-N 1 0 386.265 2.434 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc(F)c1Br ZINC000411255949 532751494 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CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000541378904 532752503 /nfs/dbraw/zinc/75/25/03/532752503.db2.gz XVGGXHHIRWJUEU-UHFFFAOYSA-N 1 0 382.555 2.474 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H]1CCCC[C@H]1O)COc1cc(F)cc(Br)c1 ZINC000581012356 532753055 /nfs/dbraw/zinc/75/30/55/532753055.db2.gz UZRDJMXPQSJXNU-HZUKXOBISA-N 1 0 376.266 2.469 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286529337 532753573 /nfs/dbraw/zinc/75/35/73/532753573.db2.gz BMBALLDNXRJULB-WFASDCNBSA-N 1 0 386.901 2.374 20 0 GEADRO C[C@H]1C[N@H+](CCCNCc2ncc(I)s2)CCCO1 ZINC000511765009 532775112 /nfs/dbraw/zinc/77/51/12/532775112.db2.gz KZBXXOQURJIEGK-NSHDSACASA-N 1 0 395.310 2.338 20 0 GEADRO O=C(Cc1ccc(Br)s1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000269151412 532775795 /nfs/dbraw/zinc/77/57/95/532775795.db2.gz BCVOAHMSFJYPQI-UHFFFAOYSA-N 1 0 381.299 2.496 20 0 GEADRO C[C@@H](NC(=O)c1cccn2c(I)cnc12)[C@@H]1CCC[NH2+]C1 ZINC000269169110 532776741 /nfs/dbraw/zinc/77/67/41/532776741.db2.gz DTUVLFZRAMDSEP-GHMZBOCLSA-N 1 0 398.248 2.057 20 0 GEADRO COCC(COC)[NH+]1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000411838273 532776934 /nfs/dbraw/zinc/77/69/34/532776934.db2.gz BFUDCEPRJZTXJD-UHFFFAOYSA-N 1 0 375.282 2.367 20 0 GEADRO C[C@H](CC[NH3+])NS(=O)(=O)c1cc(Br)ccc1Br ZINC000310125102 532777109 /nfs/dbraw/zinc/77/71/09/532777109.db2.gz IXXBHUQEWZOOPQ-SSDOTTSWSA-N 1 0 386.109 2.227 20 0 GEADRO COc1cc(I)c(C(=O)NC[C@@H]([NH3+])C(C)C)cc1OC ZINC000269248137 532777302 /nfs/dbraw/zinc/77/73/02/532777302.db2.gz FGZAUXXLGWOZQJ-LLVKDONJSA-N 1 0 392.237 2.022 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000269247570 532777398 /nfs/dbraw/zinc/77/73/98/532777398.db2.gz CIGAODPHIORONE-NSHDSACASA-N 1 0 394.235 2.444 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C(C)(F)F ZINC000453822187 532777523 /nfs/dbraw/zinc/77/75/23/532777523.db2.gz BNYXBVPXGWBPDX-SNVBAGLBSA-N 1 0 377.819 2.379 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C(C)(F)F ZINC000453822185 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C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(I)c(O)c3)C2)C1 ZINC000312686039 532778892 /nfs/dbraw/zinc/77/88/92/532778892.db2.gz LWKDQBQZLNKWNC-OAHLLOKOSA-N 1 0 386.233 2.165 20 0 GEADRO COCC(=O)N1CCC([NH2+]Cc2ccc(I)cc2)CC1 ZINC000312242234 532779031 /nfs/dbraw/zinc/77/90/31/532779031.db2.gz KITWDROFGBKLAA-UHFFFAOYSA-N 1 0 388.249 2.018 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(Br)cc1O ZINC000508625380 532763639 /nfs/dbraw/zinc/76/36/39/532763639.db2.gz LLMPAMOTBTUWHD-CYBMUJFWSA-N 1 0 397.313 2.409 20 0 GEADRO COc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000620485204 532763887 /nfs/dbraw/zinc/76/38/87/532763887.db2.gz QRMIUCJSZYLOEE-CYBMUJFWSA-N 1 0 383.286 2.129 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)s1 ZINC000583082311 532764281 /nfs/dbraw/zinc/76/42/81/532764281.db2.gz QEASMAYQKZYEMY-CQSZACIVSA-N 1 0 389.587 2.419 20 0 GEADRO O=C(CC[NH2+][C@H](CO)C1CCOCC1)Nc1ccc(Br)cc1F ZINC000411502753 532764530 /nfs/dbraw/zinc/76/45/30/532764530.db2.gz JOQTZBGJBBYZTP-OAHLLOKOSA-N 1 0 389.265 2.294 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)COc2cccc(Br)c2)CCO1 ZINC000620960062 532764840 /nfs/dbraw/zinc/76/48/40/532764840.db2.gz GLJBTWBXZHSQKX-INIZCTEOSA-N 1 0 385.302 2.397 20 0 GEADRO CN(C)C(=O)C1([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000411910978 532779597 /nfs/dbraw/zinc/77/95/97/532779597.db2.gz JMXMXIARDINLCK-LLVKDONJSA-N 1 0 391.693 2.053 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000542138046 532765565 /nfs/dbraw/zinc/76/55/65/532765565.db2.gz QBJMRHRXEJCRIO-RISCZKNCSA-N 1 0 389.315 2.333 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)s1)c1ccsc1 ZINC000621110619 532765657 /nfs/dbraw/zinc/76/56/57/532765657.db2.gz GCZOBVBPKHLXTF-LBPRGKRZSA-N 1 0 387.552 2.270 20 0 GEADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)[C@H]2C1 ZINC000451595429 532765870 /nfs/dbraw/zinc/76/58/70/532765870.db2.gz FEIHBYHNLJVRFC-YVSFHVDLSA-N 1 0 379.298 2.484 20 0 GEADRO O=C(Cc1cc[nH]c(=O)c1Br)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621109411 532766104 /nfs/dbraw/zinc/76/61/04/532766104.db2.gz VOQWEDBXNSFOOG-CYBMUJFWSA-N 1 0 382.302 2.330 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn2cc(Br)cnc12 ZINC000621107452 532766305 /nfs/dbraw/zinc/76/63/05/532766305.db2.gz FNVBUWNCPSAMSS-ZDUSSCGKSA-N 1 0 392.301 2.344 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)ccc1Br ZINC000583751378 532766471 /nfs/dbraw/zinc/76/64/71/532766471.db2.gz SKCLMHVIKCEOQY-HOTGVXAUSA-N 1 0 394.313 2.289 20 0 GEADRO [NH3+]CC[C@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C(F)F ZINC000583752081 532766597 /nfs/dbraw/zinc/76/65/97/532766597.db2.gz QBMAPKKHVSOYRS-AMXDTQDGSA-N 1 0 397.285 2.436 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)[C@H](C)C1 ZINC000411572532 532767094 /nfs/dbraw/zinc/76/70/94/532767094.db2.gz RBZGIVAYVVLMPD-OLZOCXBDSA-N 1 0 380.539 2.197 20 0 GEADRO CN(Cc1nc(-c2cccs2)no1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000286746809 532767119 /nfs/dbraw/zinc/76/71/19/532767119.db2.gz QUNBEBRFQXOKLV-INIZCTEOSA-N 1 0 381.527 2.377 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)cc2NC)C1 ZINC000411556463 532767661 /nfs/dbraw/zinc/76/76/61/532767661.db2.gz OXOFHCBRRDPNAG-NSHDSACASA-N 1 0 387.265 2.405 20 0 GEADRO CC(C)OCC[C@@H](O)C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000584228030 532767977 /nfs/dbraw/zinc/76/79/77/532767977.db2.gz ZXGBPYGXUBCANP-CQSZACIVSA-N 1 0 383.432 2.375 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cccc2c[nH]nc21)c1ccc(F)cc1Cl ZINC000509410737 532768344 /nfs/dbraw/zinc/76/83/44/532768344.db2.gz OIFZTJYJGKFRCJ-UHFFFAOYSA-N 1 0 382.848 2.424 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000584531164 532768661 /nfs/dbraw/zinc/76/86/61/532768661.db2.gz WRUBJFRCAFQCNN-VYUIOLGVSA-N 1 0 398.248 2.284 20 0 GEADRO C[C@@H]1CN(CC(=O)Nc2cccc(I)c2)[C@@H](C)C[N@@H+]1C ZINC000509462242 532770762 /nfs/dbraw/zinc/77/07/62/532770762.db2.gz GZELUROPUDDNHH-NEPJUHHUSA-N 1 0 387.265 2.254 20 0 GEADRO C[N@H+](C1CCN(CC(F)(F)F)CC1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000452035909 532771709 /nfs/dbraw/zinc/77/17/09/532771709.db2.gz YMKVCSJVBFWGJP-GFCCVEGCSA-N 1 0 375.357 2.498 20 0 GEADRO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268837807 532772245 /nfs/dbraw/zinc/77/22/45/532772245.db2.gz MNBVQULSFZIZPZ-CYBMUJFWSA-N 1 0 376.469 2.180 20 0 GEADRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000588931959 532772612 /nfs/dbraw/zinc/77/26/12/532772612.db2.gz LYBMMVBKMAKYAH-NSHDSACASA-N 1 0 375.288 2.135 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cccc(Br)c1F ZINC000542463730 532772638 /nfs/dbraw/zinc/77/26/38/532772638.db2.gz MDMREXFXYXWKAU-UHFFFAOYSA-N 1 0 397.310 2.225 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CCC(F)(F)F)c1 ZINC000542472520 532773112 /nfs/dbraw/zinc/77/31/12/532773112.db2.gz SOKLDBWGLQTDFB-GHMZBOCLSA-N 1 0 381.420 2.242 20 0 GEADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000286866641 532773322 /nfs/dbraw/zinc/77/33/22/532773322.db2.gz BMUSUJBGNRFCKR-LSDHHAIUSA-N 1 0 386.945 2.491 20 0 GEADRO COC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000588961877 532773484 /nfs/dbraw/zinc/77/34/84/532773484.db2.gz TYUUHIFLGXQFEB-KRWDZBQOSA-N 1 0 399.285 2.024 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000302833411 532774600 /nfs/dbraw/zinc/77/46/00/532774600.db2.gz SIRAIQFTKODZKM-CYBMUJFWSA-N 1 0 387.709 2.240 20 0 GEADRO C[NH+](C)CCOCCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000544341423 532782030 /nfs/dbraw/zinc/78/20/30/532782030.db2.gz BJNHJZLMPGJUCE-CYBMUJFWSA-N 1 0 388.295 2.041 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(Br)cs2)[C@@H](C)C1 ZINC000287078799 532782442 /nfs/dbraw/zinc/78/24/42/532782442.db2.gz IHFFACKGHJLBSQ-QWRGUYRKSA-N 1 0 376.320 2.107 20 0 GEADRO [NH3+]CCn1cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)nn1 ZINC000316315726 532782633 /nfs/dbraw/zinc/78/26/33/532782633.db2.gz KWUPKIMRJOTMDT-UHFFFAOYSA-N 1 0 378.152 2.270 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)o2)Cc2ccccc2C1 ZINC000544720031 532782731 /nfs/dbraw/zinc/78/27/31/532782731.db2.gz HSMJNDKDIFEORQ-UHFFFAOYSA-N 1 0 399.310 2.420 20 0 GEADRO C[NH+]1CCC(C(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000456498250 532782944 /nfs/dbraw/zinc/78/29/44/532782944.db2.gz ZPRUJRFUXCIVGK-GFCCVEGCSA-N 1 0 387.293 2.197 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]2CCCOC2)c(Br)c1 ZINC000411995258 532783635 /nfs/dbraw/zinc/78/36/35/532783635.db2.gz PGUVAYXMYWFGPA-WOSRLPQWSA-N 1 0 385.302 2.462 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000317305299 532783892 /nfs/dbraw/zinc/78/38/92/532783892.db2.gz UTOKBXCFVZVWAH-UHFFFAOYSA-N 1 0 380.208 2.103 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC000456737428 532783991 /nfs/dbraw/zinc/78/39/91/532783991.db2.gz XUQFQRUOECOQPF-AWEZNQCLSA-N 1 0 383.330 2.367 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(=O)n1C ZINC000287200236 532786079 /nfs/dbraw/zinc/78/60/79/532786079.db2.gz PJZRKLSAIZCSLD-WFASDCNBSA-N 1 0 382.302 2.155 20 0 GEADRO O=C(Nc1ccc(Br)cc1C(F)(F)F)C(=O)N1CCC[NH2+]CC1 ZINC000319648073 532786378 /nfs/dbraw/zinc/78/63/78/532786378.db2.gz ALNYUCWITFVVAK-UHFFFAOYSA-N 1 0 394.191 2.228 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000319996274 532786516 /nfs/dbraw/zinc/78/65/16/532786516.db2.gz FOAMKVWOXBZBKT-YPMHNXCESA-N 1 0 389.315 2.220 20 0 GEADRO Brc1cccc(-c2noc(Cn3cc(C[NH2+]C4CC4)nn3)n2)c1 ZINC000321495391 532787219 /nfs/dbraw/zinc/78/72/19/532787219.db2.gz KWZVECDXFTWVMU-UHFFFAOYSA-N 1 0 375.230 2.391 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1COC[C@@H]1O ZINC000323456226 532788187 /nfs/dbraw/zinc/78/81/87/532788187.db2.gz VFHGSPSHMQAZPZ-MNOVXSKESA-N 1 0 381.064 2.070 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000287253046 532788466 /nfs/dbraw/zinc/78/84/66/532788466.db2.gz HJZXXFRNTHAVSM-NHYWBVRUSA-N 1 0 382.511 2.071 20 0 GEADRO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412347642 532789334 /nfs/dbraw/zinc/78/93/34/532789334.db2.gz LONWNWIJDZKPLS-CABCVRRESA-N 1 0 379.492 2.347 20 0 GEADRO O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)c1cnc2n1CCC2 ZINC000548450755 532790657 /nfs/dbraw/zinc/79/06/57/532790657.db2.gz UEOVOJBQVCHKNX-UHFFFAOYSA-N 1 0 380.539 2.081 20 0 GEADRO CS[C@H]1CN(c2ncc(I)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000548691752 532792767 /nfs/dbraw/zinc/79/27/67/532792767.db2.gz OUWGZRIYRXNNJV-RYUDHWBXSA-N 1 0 390.294 2.097 20 0 GEADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1c(Br)cnn1C ZINC000412565616 532795439 /nfs/dbraw/zinc/79/54/39/532795439.db2.gz CVZUTYXYIZCPRF-UHFFFAOYSA-N 1 0 397.273 2.384 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCOc2cc(F)c(Br)cc21 ZINC000549630101 532796235 /nfs/dbraw/zinc/79/62/35/532796235.db2.gz HZRPOINRGIMEGL-UHFFFAOYSA-N 1 0 395.294 2.459 20 0 GEADRO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000411925776 532780584 /nfs/dbraw/zinc/78/05/84/532780584.db2.gz ZSIGGFRQMLBPCQ-VXGBXAGGSA-N 1 0 388.295 2.357 20 0 GEADRO CN1CCO[C@H]([C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)c2ccc(Cl)cc2)C1 ZINC000287067682 532781764 /nfs/dbraw/zinc/78/17/64/532781764.db2.gz NWXIKSZQDKDRCP-JLSDUUJJSA-N 1 0 386.945 2.126 20 0 GEADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)[C@H]2C1 ZINC000514967384 532781834 /nfs/dbraw/zinc/78/18/34/532781834.db2.gz XOFQCOLWLBTMRK-QSPRXWTASA-N 1 0 394.313 2.212 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1nccn2c(Br)cnc12 ZINC000271223956 532805376 /nfs/dbraw/zinc/80/53/76/532805376.db2.gz DKSQWGBKODZOCJ-LBPRGKRZSA-N 1 0 380.290 2.438 20 0 GEADRO Brc1ccc(-n2nnnc2SCC[N@@H+]2CCCOCC2)cc1 ZINC000413000972 532805801 /nfs/dbraw/zinc/80/58/01/532805801.db2.gz ORWQYCQGBNNCSE-UHFFFAOYSA-N 1 0 384.303 2.239 20 0 GEADRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1(C)C ZINC000329309917 532805867 /nfs/dbraw/zinc/80/58/67/532805867.db2.gz ZFFBBHJKLQINGL-CABCVRRESA-N 1 0 388.555 2.062 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000287674336 532805906 /nfs/dbraw/zinc/80/59/06/532805906.db2.gz CZROVVZWCWVUHB-GFCCVEGCSA-N 1 0 382.302 2.006 20 0 GEADRO CC(C)[C@H](CNC(=O)NCCC(C)(C)S(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000413113058 532806227 /nfs/dbraw/zinc/80/62/27/532806227.db2.gz WEZWYBCIVHMNSY-INIZCTEOSA-N 1 0 375.579 2.255 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000554935229 532806419 /nfs/dbraw/zinc/80/64/19/532806419.db2.gz HBMFBPAOSFHJKE-CYBMUJFWSA-N 1 0 396.329 2.180 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@H]1CCCC(F)(F)[C@@H]1O ZINC000413125230 532806757 /nfs/dbraw/zinc/80/67/57/532806757.db2.gz FGZJDKCPDLRHGJ-UONOGXRCSA-N 1 0 377.501 2.196 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287706106 532807325 /nfs/dbraw/zinc/80/73/25/532807325.db2.gz JHNGSGYIOJJSCD-UHFFFAOYSA-N 1 0 388.331 2.070 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3nccn4c(Br)cnc34)CC[C@H]21 ZINC000271510737 532807768 /nfs/dbraw/zinc/80/77/68/532807768.db2.gz VPVPQXFWMJSGSE-VXGBXAGGSA-N 1 0 378.274 2.048 20 0 GEADRO O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(CCc2cccs2)CC1 ZINC000329499569 532807901 /nfs/dbraw/zinc/80/79/01/532807901.db2.gz YCNPZRBLPZOJEF-UHFFFAOYSA-N 1 0 380.491 2.026 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccccc1Br ZINC000287724703 532808090 /nfs/dbraw/zinc/80/80/90/532808090.db2.gz CKJINRJRQXESOO-CHWSQXEVSA-N 1 0 380.286 2.473 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccccc1Br ZINC000287724712 532808189 /nfs/dbraw/zinc/80/81/89/532808189.db2.gz CKJINRJRQXESOO-QWHCGFSZSA-N 1 0 380.286 2.473 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)c(Br)n1 ZINC000271557134 532808853 /nfs/dbraw/zinc/80/88/53/532808853.db2.gz LNEKLSHWIVWDAK-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000413321949 532809880 /nfs/dbraw/zinc/80/98/80/532809880.db2.gz WVKXMXCVHSHQNL-OAHLLOKOSA-N 1 0 397.361 2.440 20 0 GEADRO CS[C@H]1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)C[C@@H]1[NH+]1CCCC1 ZINC000329772459 532811008 /nfs/dbraw/zinc/81/10/08/532811008.db2.gz HLSJIOQCEDEJSR-ZFWWWQNUSA-N 1 0 377.539 2.195 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000271648727 532811043 /nfs/dbraw/zinc/81/10/43/532811043.db2.gz MBKMECNZGAZOPX-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1Br ZINC000459664906 532797211 /nfs/dbraw/zinc/79/72/11/532797211.db2.gz CFCGQUVBIVMUOU-UHFFFAOYSA-N 1 0 399.329 2.429 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000459849455 532798196 /nfs/dbraw/zinc/79/81/96/532798196.db2.gz PPVLURCVEMFWHD-HNNXBMFYSA-N 1 0 396.329 2.350 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)C[C@@H]1[NH+](C)C ZINC000270466628 532798613 /nfs/dbraw/zinc/79/86/13/532798613.db2.gz BKMFWFVIWZJDPW-IRXDYDNUSA-N 1 0 381.523 2.316 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1Br ZINC000287546080 532799031 /nfs/dbraw/zinc/79/90/31/532799031.db2.gz WWWMVXQILHINCH-FZMZJTMJSA-N 1 0 395.301 2.367 20 0 GEADRO COC(=O)[C@H](C)Sc1ccccc1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000270544562 532799060 /nfs/dbraw/zinc/79/90/60/532799060.db2.gz YJFWDIOYEVEWET-BJJXKVORSA-N 1 0 382.551 2.458 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCn2cc(Br)cn2)C1 ZINC000287572844 532800189 /nfs/dbraw/zinc/80/01/89/532800189.db2.gz YOBVEIVYEIGOFL-CQSZACIVSA-N 1 0 386.338 2.455 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2csc(C(=O)OC)c2)c1 ZINC000462194763 532801119 /nfs/dbraw/zinc/80/11/19/532801119.db2.gz SUTDTUVEBGCYAH-UHFFFAOYSA-N 1 0 382.507 2.465 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000287594956 532801377 /nfs/dbraw/zinc/80/13/77/532801377.db2.gz LHBVRTGTVDFVMX-NSHDSACASA-N 1 0 375.803 2.133 20 0 GEADRO CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Oc2ccc(I)cc2)C1 ZINC000412871657 532802696 /nfs/dbraw/zinc/80/26/96/532802696.db2.gz GDYNUFQXPNPPDT-WCQYABFASA-N 1 0 388.249 2.269 20 0 GEADRO O=S(=O)(NCCN1CCc2sccc2C1)c1ccc2c(c1)CCCO2 ZINC000329150348 532802792 /nfs/dbraw/zinc/80/27/92/532802792.db2.gz RLRTZPVMELXVCY-UHFFFAOYSA-N 1 0 378.519 2.410 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)NCCc2ccccc2Br)CC1 ZINC000551961612 532802945 /nfs/dbraw/zinc/80/29/45/532802945.db2.gz JEWGTIHHCYAOCX-UHFFFAOYSA-N 1 0 397.361 2.318 20 0 GEADRO CN1CCO[C@H]2CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@@H]21 ZINC000329153756 532802983 /nfs/dbraw/zinc/80/29/83/532802983.db2.gz UJQGALHAEDFQBY-HOTGVXAUSA-N 1 0 381.263 2.334 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c(F)cc1Br ZINC000287616221 532803024 /nfs/dbraw/zinc/80/30/24/532803024.db2.gz MMIBOFNZAYUBPF-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000271036250 532803409 /nfs/dbraw/zinc/80/34/09/532803409.db2.gz YPKUHCRKGYYWRR-CYBMUJFWSA-N 1 0 376.881 2.060 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc(Br)s1)CCO2 ZINC000271968165 532812830 /nfs/dbraw/zinc/81/28/30/532812830.db2.gz HEWQZPSXZPVIPC-ZWNOBZJWSA-N 1 0 380.329 2.337 20 0 GEADRO C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)COc1ccc(Br)cc1)CCO2 ZINC000329949623 532813100 /nfs/dbraw/zinc/81/31/00/532813100.db2.gz LZQRPWHBYZCSEI-QRTARXTBSA-N 1 0 386.286 2.069 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000288007299 532814737 /nfs/dbraw/zinc/81/47/37/532814737.db2.gz BSPDNLIPIBHPTA-ZIAGYGMSSA-N 1 0 387.571 2.184 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(Br)n1 ZINC000288104154 532817628 /nfs/dbraw/zinc/81/76/28/532817628.db2.gz MLBWICUHHQOUIF-OLZOCXBDSA-N 1 0 395.301 2.176 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000272509010 532816274 /nfs/dbraw/zinc/81/62/74/532816274.db2.gz MJIMJILXQRCOII-LBPRGKRZSA-N 1 0 388.917 2.477 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272489385 532816313 /nfs/dbraw/zinc/81/63/13/532816313.db2.gz VXGRDDQHVKKXOO-WBMJQRKESA-N 1 0 375.897 2.182 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272489375 532816434 /nfs/dbraw/zinc/81/64/34/532816434.db2.gz VXGRDDQHVKKXOO-BLLLJJGKSA-N 1 0 375.897 2.182 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000414093429 532818833 /nfs/dbraw/zinc/81/88/33/532818833.db2.gz MCQHPYGSZNQSPB-CZUORRHYSA-N 1 0 390.281 2.394 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000272860963 532818857 /nfs/dbraw/zinc/81/88/57/532818857.db2.gz QLAFZDPZTSGPSL-JSGCOSHPSA-N 1 0 384.885 2.078 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000414113154 532819021 /nfs/dbraw/zinc/81/90/21/532819021.db2.gz KFXPCHMPNYOOLL-ZDUSSCGKSA-N 1 0 384.318 2.238 20 0 GEADRO C[NH+]1CCN(C[C@@H](O)COc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000414129386 532819069 /nfs/dbraw/zinc/81/90/69/532819069.db2.gz UWIROOPWXNUVSX-CYBMUJFWSA-N 1 0 397.235 2.455 20 0 GEADRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414195306 532820287 /nfs/dbraw/zinc/82/02/87/532820287.db2.gz JDYIFVKOFGZSFN-WDEREUQCSA-N 1 0 379.320 2.420 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000288205997 532820672 /nfs/dbraw/zinc/82/06/72/532820672.db2.gz OJDBTDXDMIGYBL-JTQLQIEISA-N 1 0 380.436 2.187 20 0 GEADRO Cc1n[nH]c(CC[NH2+]Cc2ncc(Br)cc2Br)n1 ZINC000273245949 532821165 /nfs/dbraw/zinc/82/11/65/532821165.db2.gz VCSYAVRPRZSBJF-UHFFFAOYSA-N 1 0 375.068 2.365 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2Cc3ccccc3O2)cc1Br ZINC000414251457 532821191 /nfs/dbraw/zinc/82/11/91/532821191.db2.gz ABVZRJCAZCDVQP-ZDUSSCGKSA-N 1 0 397.294 2.190 20 0 GEADRO CC(C)COCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414259595 532821302 /nfs/dbraw/zinc/82/13/02/532821302.db2.gz MROPURCQTPTGPL-UHFFFAOYSA-N 1 0 379.320 2.249 20 0 GEADRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000414363162 532822603 /nfs/dbraw/zinc/82/26/03/532822603.db2.gz GIHUYFRFOVNORC-TZMCWYRMSA-N 1 0 391.331 2.390 20 0 GEADRO O=S(=O)(c1cnc(Cl)c(F)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000288298866 532823788 /nfs/dbraw/zinc/82/37/88/532823788.db2.gz VSVYJKNUGXXMSD-UHFFFAOYSA-N 1 0 391.896 2.140 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000330621261 532823024 /nfs/dbraw/zinc/82/30/24/532823024.db2.gz BHZRIYLIWNRQAK-CHWSQXEVSA-N 1 0 382.302 2.120 20 0 GEADRO Cc1noc(C2CCC([NH2+]Cc3ccc(S(N)(=O)=O)c(Cl)c3)CC2)n1 ZINC000414368424 532823159 /nfs/dbraw/zinc/82/31/59/532823159.db2.gz SROXLUPSNNZVNC-UHFFFAOYSA-N 1 0 384.889 2.495 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)s1 ZINC000288286396 532823302 /nfs/dbraw/zinc/82/33/02/532823302.db2.gz VFMIAXWNXSLBOL-UHFFFAOYSA-N 1 0 388.559 2.138 20 0 GEADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000273542650 532826239 /nfs/dbraw/zinc/82/62/39/532826239.db2.gz UHILHKLROSBZOY-UHFFFAOYSA-N 1 0 376.320 2.197 20 0 GEADRO C[C@H]1C[NH+](CC2CCN(Cc3ccc(S(C)(=O)=O)s3)CC2)C[C@H](C)O1 ZINC000414385333 532823853 /nfs/dbraw/zinc/82/38/53/532823853.db2.gz VMYRGORVONHXEW-GJZGRUSLSA-N 1 0 386.583 2.473 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)cc1Cl ZINC000414385284 532824009 /nfs/dbraw/zinc/82/40/09/532824009.db2.gz WUSRCMVCMYGZCB-ZDUSSCGKSA-N 1 0 382.869 2.307 20 0 GEADRO CNS(=O)(=O)CCC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000330812603 532827653 /nfs/dbraw/zinc/82/76/53/532827653.db2.gz KOWJZBGKGIKVBE-UHFFFAOYSA-N 1 0 391.331 2.232 20 0 GEADRO OCC[C@]1(C[NH2+]Cc2ncc(Br)cc2Br)CCOC1 ZINC000330804922 532827868 /nfs/dbraw/zinc/82/78/68/532827868.db2.gz BSAUBTIUMZEKLV-CYBMUJFWSA-N 1 0 394.107 2.485 20 0 GEADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cccc(I)c1 ZINC000414454212 532828316 /nfs/dbraw/zinc/82/83/16/532828316.db2.gz ACLQRHLVJJNWAW-UHFFFAOYSA-N 1 0 394.278 2.006 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Br)cn1 ZINC000330883131 532828950 /nfs/dbraw/zinc/82/89/50/532828950.db2.gz DAXVKADVVVUJIJ-GFCCVEGCSA-N 1 0 376.320 2.387 20 0 GEADRO CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288558524 532831374 /nfs/dbraw/zinc/83/13/74/532831374.db2.gz GNHZLLCBGLZTQY-NSHDSACASA-N 1 0 379.507 2.394 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000414559397 532831596 /nfs/dbraw/zinc/83/15/96/532831596.db2.gz OXYPCQKWVULFFT-RHSMWYFYSA-N 1 0 380.286 2.118 20 0 GEADRO CCOc1cc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc(Br)c1O ZINC000331162736 532834483 /nfs/dbraw/zinc/83/44/83/532834483.db2.gz XHFNACZCOTVPDQ-OLZOCXBDSA-N 1 0 387.318 2.440 20 0 GEADRO Cc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000414791882 532835588 /nfs/dbraw/zinc/83/55/88/532835588.db2.gz REXOBURMHLHWND-LBPRGKRZSA-N 1 0 383.290 2.076 20 0 GEADRO C[C@]1(CO)CCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000331195871 532835634 /nfs/dbraw/zinc/83/56/34/532835634.db2.gz YCZQXNSBMQEWOO-HUUCEWRRSA-N 1 0 376.316 2.364 20 0 GEADRO COc1cc(CN2CC[C@H]([NH3+])[C@@H]2C)cc(I)c1OC ZINC000414778634 532835660 /nfs/dbraw/zinc/83/56/60/532835660.db2.gz ZDDGZPYMYSCCIQ-CABZTGNLSA-N 1 0 376.238 2.230 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414925295 532835925 /nfs/dbraw/zinc/83/59/25/532835925.db2.gz ILYCXNWLUTWJHP-GFCCVEGCSA-N 1 0 385.306 2.405 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414923002 532836064 /nfs/dbraw/zinc/83/60/64/532836064.db2.gz DOBPJRPXJMBEKC-ZDUSSCGKSA-N 1 0 397.317 2.359 20 0 GEADRO COC[C@@]1(CNCc2cc(Br)c3c(c2)OCCCO3)CCC[NH2+]1 ZINC000414948566 532836321 /nfs/dbraw/zinc/83/63/21/532836321.db2.gz XQXUZXOTQKEQEE-KRWDZBQOSA-N 1 0 385.302 2.469 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000331227481 532836452 /nfs/dbraw/zinc/83/64/52/532836452.db2.gz NTKYKSHWOGTAKK-LLVKDONJSA-N 1 0 398.331 2.437 20 0 GEADRO Oc1ccc(Br)c(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414993282 532836533 /nfs/dbraw/zinc/83/65/33/532836533.db2.gz UIQFGTGRKTZSDO-CYBMUJFWSA-N 1 0 382.224 2.080 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414977902 532836561 /nfs/dbraw/zinc/83/65/61/532836561.db2.gz QXICMIJFDSGKRW-NSHDSACASA-N 1 0 382.224 2.341 20 0 GEADRO Cn1c(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)nc2ccc(Cl)cc21 ZINC000414996117 532836967 /nfs/dbraw/zinc/83/69/67/532836967.db2.gz XBMKOZXRYQBCMW-CQSZACIVSA-N 1 0 375.826 2.152 20 0 GEADRO CCOCCOc1ccc(Br)cc1CNC[C@H]1C[NH2+]CCCO1 ZINC000415049301 532837423 /nfs/dbraw/zinc/83/74/23/532837423.db2.gz XUIKHJBFDCBPET-MRXNPFEDSA-N 1 0 387.318 2.333 20 0 GEADRO C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000186661269 209327108 /nfs/dbraw/zinc/32/71/08/209327108.db2.gz QUHIJSATSKGNNF-UXHICEINSA-N 1 0 387.524 2.296 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(OC)ccc2I)C1 ZINC000415080971 532837491 /nfs/dbraw/zinc/83/74/91/532837491.db2.gz ZNHRHCDHKJABBU-SECBINFHSA-N 1 0 375.210 2.125 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415114783 532837814 /nfs/dbraw/zinc/83/78/14/532837814.db2.gz GENOEGAJNSYHTK-ZETCQYMHSA-N 1 0 381.164 2.382 20 0 GEADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000415123470 532838114 /nfs/dbraw/zinc/83/81/14/532838114.db2.gz PVEGZSABUNNZCA-CYBMUJFWSA-N 1 0 395.257 2.420 20 0 GEADRO CCOC(=O)c1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000029559409 209243474 /nfs/dbraw/zinc/24/34/74/209243474.db2.gz VCADFIIYGDTRFL-UHFFFAOYSA-N 1 0 382.464 2.409 20 0 GEADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000288797510 532838685 /nfs/dbraw/zinc/83/86/85/532838685.db2.gz RISPEIFKYBSRER-IUODEOHRSA-N 1 0 382.302 2.073 20 0 GEADRO O=C1N[C@H]2CN(Cc3cccc(Br)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415137701 532838778 /nfs/dbraw/zinc/83/87/78/532838778.db2.gz JCPDIBPIXLLXJE-DLBZAZTESA-N 1 0 393.329 2.169 20 0 GEADRO O=C1N[C@H]2CN(Cc3csc(Br)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134821 532838821 /nfs/dbraw/zinc/83/88/21/532838821.db2.gz FBXUCVZOHZIEHG-KBPBESRZSA-N 1 0 399.358 2.231 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cc4c(cc3Br)OCO4)C2)nn1 ZINC000415133786 532839033 /nfs/dbraw/zinc/83/90/33/532839033.db2.gz VMRHUAFMAVULTD-CYBMUJFWSA-N 1 0 394.273 2.065 20 0 GEADRO OC1(CN2CCOCC2)CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000359998969 209212691 /nfs/dbraw/zinc/21/26/91/209212691.db2.gz MSPAPNUPVRBBKR-UHFFFAOYSA-N 1 0 388.430 2.243 20 0 GEADRO c1nc([C@@H]2CCCO2)sc1C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000359997564 209211853 /nfs/dbraw/zinc/21/18/53/209211853.db2.gz VAFOCGFRFGRDPF-HOCLYGCPSA-N 1 0 399.524 2.439 20 0 GEADRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccn(-c5ccccc5)n4)C[C@H]3C2)no1 ZINC000359976190 209209904 /nfs/dbraw/zinc/20/99/04/209209904.db2.gz GMPLRMNTDSUIKR-IRXDYDNUSA-N 1 0 378.480 2.382 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415210901 532839330 /nfs/dbraw/zinc/83/93/30/532839330.db2.gz KQZWGNADSFZPKN-UHFFFAOYSA-N 1 0 395.223 2.495 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cccc(Br)n3)CC2)CC1 ZINC000359955822 209205627 /nfs/dbraw/zinc/20/56/27/209205627.db2.gz CKNKUBUSJDAZJI-UHFFFAOYSA-N 1 0 395.345 2.334 20 0 GEADRO COC(=O)CCc1ccc(NC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000359928293 209203767 /nfs/dbraw/zinc/20/37/67/209203767.db2.gz PXAGCNKSECZCIV-IEBWSBKVSA-N 1 0 389.496 2.415 20 0 GEADRO CN1C(=O)CCc2cc(NC(=O)NC[C@H]3CCC[C@H]3[NH+]3CCOCC3)ccc21 ZINC000359928084 209203447 /nfs/dbraw/zinc/20/34/47/209203447.db2.gz PDMXEXMMIPIBQT-VQIMIIECSA-N 1 0 386.496 2.218 20 0 GEADRO CC[C@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC)Cc1cccc(Br)c1 ZINC000288832581 532839496 /nfs/dbraw/zinc/83/94/96/532839496.db2.gz VBNKRYQOCXRZTP-SWLSCSKDSA-N 1 0 385.302 2.415 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCn1cc(Br)cn1 ZINC000288825370 532839637 /nfs/dbraw/zinc/83/96/37/532839637.db2.gz LOQBRNUSEOGZFU-CABCVRRESA-N 1 0 384.322 2.304 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000288829892 532839712 /nfs/dbraw/zinc/83/97/12/532839712.db2.gz CZFNIPTWVDNTNC-UHFFFAOYSA-N 1 0 383.290 2.117 20 0 GEADRO [NH3+][C@@H](CNC(=O)Nc1cc(F)c(F)cc1I)C1CC1 ZINC000415242872 532839893 /nfs/dbraw/zinc/83/98/93/532839893.db2.gz UZUBJYZSIPNTER-JTQLQIEISA-N 1 0 381.164 2.428 20 0 GEADRO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cc(Br)c(=O)n(C)c2)cc1 ZINC000415266607 532840060 /nfs/dbraw/zinc/84/00/60/532840060.db2.gz HSJJMDJGXFOJBW-JTQLQIEISA-N 1 0 379.258 2.489 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c(Br)c1 ZINC000415284034 532840188 /nfs/dbraw/zinc/84/01/88/532840188.db2.gz UZOJRDHELHJKEK-UHFFFAOYSA-N 1 0 384.274 2.174 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1Br ZINC000415285108 532840302 /nfs/dbraw/zinc/84/03/02/532840302.db2.gz XPJZBSXSQYQHAO-UHFFFAOYSA-N 1 0 384.274 2.174 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415282146 532840328 /nfs/dbraw/zinc/84/03/28/532840328.db2.gz MIHKFYNJORNPOO-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO CNS(=O)(=O)CCC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000331531198 532840659 /nfs/dbraw/zinc/84/06/59/532840659.db2.gz NESWFRURMLZNCG-UHFFFAOYSA-N 1 0 380.341 2.445 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415291801 532840935 /nfs/dbraw/zinc/84/09/35/532840935.db2.gz APKCADFAOBLQRV-ZETCQYMHSA-N 1 0 378.629 2.000 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415287728 532840921 /nfs/dbraw/zinc/84/09/21/532840921.db2.gz WYRDGTISVNSSJS-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC1 ZINC000104908549 209176020 /nfs/dbraw/zinc/17/60/20/209176020.db2.gz JJVKTEYNYVPSED-AWEZNQCLSA-N 1 0 379.526 2.001 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415306141 532841068 /nfs/dbraw/zinc/84/10/68/532841068.db2.gz KQYQMKPLVBQIGZ-UHFFFAOYSA-N 1 0 382.180 2.132 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415306442 532841155 /nfs/dbraw/zinc/84/11/55/532841155.db2.gz WSQXUTFGXVWAEM-UHFFFAOYSA-N 1 0 385.306 2.265 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000415313745 532841463 /nfs/dbraw/zinc/84/14/63/532841463.db2.gz WLGRDTJBBAOTRM-UHFFFAOYSA-N 1 0 379.766 2.374 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)ccc1Br ZINC000415313284 532841510 /nfs/dbraw/zinc/84/15/10/532841510.db2.gz HKXAQCLULYQXLH-UHFFFAOYSA-N 1 0 383.290 2.259 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(C)ccc2SCC(F)(F)F)C1 ZINC000415307186 532841517 /nfs/dbraw/zinc/84/15/17/532841517.db2.gz XOGHLFBWMCEDOU-LLVKDONJSA-N 1 0 375.416 2.408 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415340563 532841622 /nfs/dbraw/zinc/84/16/22/532841622.db2.gz FHGHYYKINHIULG-ZETCQYMHSA-N 1 0 378.629 2.000 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CN(C)Cc2nsc(N(C)C)n2)[C@@H]1c1cnn(C)c1 ZINC000328632643 209150959 /nfs/dbraw/zinc/15/09/59/209150959.db2.gz LMIKADYULVNCEQ-WMLDXEAASA-N 1 0 377.562 2.243 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415339312 532841871 /nfs/dbraw/zinc/84/18/71/532841871.db2.gz BPZCAPHEONMMBU-MRVPVSSYSA-N 1 0 394.191 2.227 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCCn2cc(Br)cn2)C1 ZINC000288918473 532841874 /nfs/dbraw/zinc/84/18/74/532841874.db2.gz WYUGHHRNMBCUPI-UKRRQHHQSA-N 1 0 384.322 2.161 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415341763 532841969 /nfs/dbraw/zinc/84/19/69/532841969.db2.gz HURHMKCCFMRAFE-VIFPVBQESA-N 1 0 379.766 2.040 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000415352071 532842258 /nfs/dbraw/zinc/84/22/58/532842258.db2.gz OXEPCPBLAJBPFX-CMPLNLGQSA-N 1 0 395.301 2.164 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1Br ZINC000415349545 532842262 /nfs/dbraw/zinc/84/22/62/532842262.db2.gz GPBFUNRXAGNMHI-GHMZBOCLSA-N 1 0 386.265 2.339 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000415352560 532842286 /nfs/dbraw/zinc/84/22/86/532842286.db2.gz PMAWKIFTBRDNGV-VHSXEESVSA-N 1 0 375.803 2.384 20 0 GEADRO Ic1c[nH]c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000274146008 532842379 /nfs/dbraw/zinc/84/23/79/532842379.db2.gz YKOQJDBRJAZXAY-KOLCDFICSA-N 1 0 386.193 2.205 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415352211 532842404 /nfs/dbraw/zinc/84/24/04/532842404.db2.gz ARDVHRRZKKOHBG-QMMMGPOBSA-N 1 0 392.656 2.391 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415353295 532842594 /nfs/dbraw/zinc/84/25/94/532842594.db2.gz LLHLGCPLBWRYIK-NEPJUHHUSA-N 1 0 398.301 2.291 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000415359945 532842654 /nfs/dbraw/zinc/84/26/54/532842654.db2.gz SBFVBBIDIHZVEG-BDAKNGLRSA-N 1 0 390.228 2.170 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415353460 532842605 /nfs/dbraw/zinc/84/26/05/532842605.db2.gz QWPNIEAQUBBQQP-NEPJUHHUSA-N 1 0 398.301 2.209 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(F)cc(Br)c1F)[C@@H]1CCC[NH2+]C1 ZINC000415361277 532842631 /nfs/dbraw/zinc/84/26/31/532842631.db2.gz UBYNPUDOYVSJJS-DTWKUNHWSA-N 1 0 390.228 2.170 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCn2cc(Br)cn2)C1 ZINC000288941020 532842745 /nfs/dbraw/zinc/84/27/45/532842745.db2.gz ZZMIKGDIXZFASD-CQSZACIVSA-N 1 0 386.338 2.409 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000331693577 532843009 /nfs/dbraw/zinc/84/30/09/532843009.db2.gz XZSYNOGOPBYPJU-LRDDRELGSA-N 1 0 382.302 2.456 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415374556 532843017 /nfs/dbraw/zinc/84/30/17/532843017.db2.gz DHZBPFLATXALRS-NSHDSACASA-N 1 0 398.301 2.372 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnn(C)c1Br ZINC000274159700 532842990 /nfs/dbraw/zinc/84/29/90/532842990.db2.gz GHHFUNRQOURARX-IUODEOHRSA-N 1 0 377.286 2.433 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000415375090 532843144 /nfs/dbraw/zinc/84/31/44/532843144.db2.gz DSVDOPQUIWQYBM-QMMMGPOBSA-N 1 0 390.228 2.252 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415372193 532843150 /nfs/dbraw/zinc/84/31/50/532843150.db2.gz GYXUDDGCMLUYRA-ZETCQYMHSA-N 1 0 393.079 2.004 20 0 GEADRO CN(C(=O)Nc1cc(Br)cn(C)c1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288975827 532843260 /nfs/dbraw/zinc/84/32/60/532843260.db2.gz DBZZRIUUISODLJ-FUNVUKJBSA-N 1 0 383.290 2.237 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000415382397 532843673 /nfs/dbraw/zinc/84/36/73/532843673.db2.gz SCOIXALJBHXCEB-GFCCVEGCSA-N 1 0 384.274 2.043 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(F)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415400995 532843822 /nfs/dbraw/zinc/84/38/22/532843822.db2.gz GMCVJOSJZLXXHM-LLVKDONJSA-N 1 0 389.244 2.239 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415400953 532844100 /nfs/dbraw/zinc/84/41/00/532844100.db2.gz WRRZUPDCVURLNF-NSHDSACASA-N 1 0 391.269 2.052 20 0 GEADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1=O ZINC000331739645 532844141 /nfs/dbraw/zinc/84/41/41/532844141.db2.gz FEKGRIZNYQBDPB-UWVGGRQHSA-N 1 0 376.404 2.282 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000415407991 532844382 /nfs/dbraw/zinc/84/43/82/532844382.db2.gz GSOYYUKSEGGIBE-QMMMGPOBSA-N 1 0 376.682 2.321 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415409404 532844462 /nfs/dbraw/zinc/84/44/62/532844462.db2.gz SSXOQDBFFBSXQX-VIFPVBQESA-N 1 0 390.228 2.172 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000415403485 532844555 /nfs/dbraw/zinc/84/45/55/532844555.db2.gz KJSHZQPTXGSOMI-GHMZBOCLSA-N 1 0 382.258 2.309 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(F)cc(Br)c1F)[C@H]1CC[NH2+]C1 ZINC000415408420 532844595 /nfs/dbraw/zinc/84/45/95/532844595.db2.gz RKKLRLLSZZBHLM-JTQLQIEISA-N 1 0 390.228 2.266 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415423409 532844715 /nfs/dbraw/zinc/84/47/15/532844715.db2.gz GGJNPYDTVFUMFO-TXEJJXNPSA-N 1 0 384.274 2.157 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000415426924 532844837 /nfs/dbraw/zinc/84/48/37/532844837.db2.gz BDVCKXZIVQVEBT-CPCISQLKSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415428200 532845134 /nfs/dbraw/zinc/84/51/34/532845134.db2.gz CRRHFBLZLMESMC-BDAKNGLRSA-N 1 0 390.228 2.252 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[C@H]1[NH3+] ZINC000415432474 532845526 /nfs/dbraw/zinc/84/55/26/532845526.db2.gz HECGOXKRIBRZKE-WCBMZHEXSA-N 1 0 379.766 2.373 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[NH2+]1 ZINC000415440142 532845544 /nfs/dbraw/zinc/84/55/44/532845544.db2.gz RJZNYMRZYRHSGE-SSDOTTSWSA-N 1 0 378.629 2.000 20 0 GEADRO CCC[NH2+]CCNC(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000415464925 532846248 /nfs/dbraw/zinc/84/62/48/532846248.db2.gz DMEQQCHMGVJKIO-UHFFFAOYSA-N 1 0 376.226 2.496 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000415445891 532846092 /nfs/dbraw/zinc/84/60/92/532846092.db2.gz IGFCZVOTTHPNLF-HQJQHLMTSA-N 1 0 392.656 2.376 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415481086 532846974 /nfs/dbraw/zinc/84/69/74/532846974.db2.gz KBMSONIQDWGWEZ-UHFFFAOYSA-N 1 0 381.278 2.478 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000289082275 532846839 /nfs/dbraw/zinc/84/68/39/532846839.db2.gz OTTGZWWCJYURAH-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC[NH2+]1 ZINC000415482929 532846842 /nfs/dbraw/zinc/84/68/42/532846842.db2.gz MACGZHAPQCTOMT-ZYHUDNBSSA-N 1 0 379.262 2.292 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415481836 532846940 /nfs/dbraw/zinc/84/69/40/532846940.db2.gz JJOHGNUXBDJQCF-UHFFFAOYSA-N 1 0 376.682 2.484 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415464357 532846337 /nfs/dbraw/zinc/84/63/37/532846337.db2.gz LYDGCQDSPILJQO-UHFFFAOYSA-N 1 0 382.180 2.260 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000331953038 532847097 /nfs/dbraw/zinc/84/70/97/532847097.db2.gz OHADGRDFLGZFAE-NWDGAFQWSA-N 1 0 380.290 2.342 20 0 GEADRO C[C@H]1C[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC[NH2+]1 ZINC000415482922 532847108 /nfs/dbraw/zinc/84/71/08/532847108.db2.gz MACGZHAPQCTOMT-CMPLNLGQSA-N 1 0 379.262 2.292 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C)n1)C1CC[NH2+]CC1 ZINC000415505640 532848349 /nfs/dbraw/zinc/84/83/49/532848349.db2.gz ITSLQHGVMPYMNN-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(OC)ccc1Br)C1CC[NH2+]CC1 ZINC000415510532 532848412 /nfs/dbraw/zinc/84/84/12/532848412.db2.gz ZBVNBFCTFSCMHZ-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415511981 532848456 /nfs/dbraw/zinc/84/84/56/532848456.db2.gz RSFSMFQOJSMSLW-SSDOTTSWSA-N 1 0 382.180 2.117 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415517233 532848460 /nfs/dbraw/zinc/84/84/60/532848460.db2.gz KVCGVUOMOKCFCW-AWEZNQCLSA-N 1 0 380.286 2.378 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)Nc2nc3ccc(I)cc3s2)C1 ZINC000415529727 532848736 /nfs/dbraw/zinc/84/87/36/532848736.db2.gz QGPHBBYFNOJPQU-MRVPVSSYSA-N 1 0 388.234 2.466 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415544371 532849381 /nfs/dbraw/zinc/84/93/81/532849381.db2.gz TVDWUHCETQPLFL-QWRGUYRKSA-N 1 0 391.269 2.132 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415547820 532849571 /nfs/dbraw/zinc/84/95/71/532849571.db2.gz ZWALISGQPXWFRP-FUNVUKJBSA-N 1 0 380.286 2.437 20 0 GEADRO Cc1cc(C2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)ccc1Br ZINC000332185143 532849702 /nfs/dbraw/zinc/84/97/02/532849702.db2.gz ZWFQMWQGAYYOSV-HNNXBMFYSA-N 1 0 394.313 2.023 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415549001 532849738 /nfs/dbraw/zinc/84/97/38/532849738.db2.gz GAWFHLSFHIHMPZ-QMMMGPOBSA-N 1 0 392.681 2.293 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)CCC1 ZINC000415552276 532849799 /nfs/dbraw/zinc/84/97/99/532849799.db2.gz AIEVACHOTBHFHJ-UHFFFAOYSA-N 1 0 394.191 2.404 20 0 GEADRO C[C@H](NC(=O)C(=O)N(C)Cc1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000289210012 532849910 /nfs/dbraw/zinc/84/99/10/532849910.db2.gz BYCMUUQXJBRKBV-ZDUSSCGKSA-N 1 0 394.313 2.174 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415556035 532849928 /nfs/dbraw/zinc/84/99/28/532849928.db2.gz RDLCGPWSDLHGAB-SSDOTTSWSA-N 1 0 398.179 2.140 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)Cc1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000289210008 532850132 /nfs/dbraw/zinc/85/01/32/532850132.db2.gz BYCMUUQXJBRKBV-CYBMUJFWSA-N 1 0 394.313 2.174 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1Br ZINC000415570549 532850602 /nfs/dbraw/zinc/85/06/02/532850602.db2.gz MBRZUDJCSYNVNH-INIZCTEOSA-N 1 0 386.265 2.341 20 0 GEADRO O=C(CCCOc1ccccc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289244249 532850765 /nfs/dbraw/zinc/85/07/65/532850765.db2.gz NCMHRRYBRAUIEY-OAHLLOKOSA-N 1 0 396.329 2.114 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415561414 532850316 /nfs/dbraw/zinc/85/03/16/532850316.db2.gz WIXDIXBXHFUQDI-SSDOTTSWSA-N 1 0 393.079 2.004 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[NH2+]CC1 ZINC000415566882 532850355 /nfs/dbraw/zinc/85/03/55/532850355.db2.gz GFAIOFJWYKUWBP-UHFFFAOYSA-N 1 0 395.301 2.166 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCC1 ZINC000415567235 532850364 /nfs/dbraw/zinc/85/03/64/532850364.db2.gz XLCAONMJFPQDQN-UHFFFAOYSA-N 1 0 394.191 2.404 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)nc12 ZINC000332256043 532851088 /nfs/dbraw/zinc/85/10/88/532851088.db2.gz CRXPYMLUHQMEKT-RYUDHWBXSA-N 1 0 380.290 2.297 20 0 GEADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000289243614 532851087 /nfs/dbraw/zinc/85/10/87/532851087.db2.gz PODWSYRRAIPZPT-UHFFFAOYSA-N 1 0 392.656 2.344 20 0 GEADRO CC[NH+]1CCN(c2cccc(NC(=O)Cn3cc(Br)cn3)c2)CC1 ZINC000274488712 532851121 /nfs/dbraw/zinc/85/11/21/532851121.db2.gz QLMHTZCGKBKTKP-UHFFFAOYSA-N 1 0 392.301 2.426 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415615129 532851240 /nfs/dbraw/zinc/85/12/40/532851240.db2.gz OFVPCLZTVCCWOZ-CABZTGNLSA-N 1 0 375.803 2.037 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415645812 532851847 /nfs/dbraw/zinc/85/18/47/532851847.db2.gz LZFTZRJEXAKSMC-BDAKNGLRSA-N 1 0 388.251 2.105 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415636692 532851882 /nfs/dbraw/zinc/85/18/82/532851882.db2.gz YFJVNQGFKRUCKL-BETUJISGSA-N 1 0 396.285 2.058 20 0 GEADRO COc1cc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000415633401 532851899 /nfs/dbraw/zinc/85/18/99/532851899.db2.gz VMBFBHGAKWLTMO-CYBMUJFWSA-N 1 0 380.798 2.306 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000332298124 532852037 /nfs/dbraw/zinc/85/20/37/532852037.db2.gz KPZMDZJLQXGHAF-CHWSQXEVSA-N 1 0 380.286 2.072 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000332296222 532852044 /nfs/dbraw/zinc/85/20/44/532852044.db2.gz FIDKXRIFPNXGBQ-CQDKDKBSSA-N 1 0 380.286 2.282 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000415649347 532852059 /nfs/dbraw/zinc/85/20/59/532852059.db2.gz DGYBOUQHJIVKPC-VIFPVBQESA-N 1 0 377.247 2.451 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415653833 532852078 /nfs/dbraw/zinc/85/20/78/532852078.db2.gz RYPXGMHOFYAZLI-ZJUUUORDSA-N 1 0 381.889 2.127 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415645402 532851752 /nfs/dbraw/zinc/85/17/52/532851752.db2.gz LPGQFXAYCSWLCB-VXGBXAGGSA-N 1 0 391.269 2.322 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415645547 532851773 /nfs/dbraw/zinc/85/17/73/532851773.db2.gz BPPYKRRPDQQHOZ-GXFFZTMASA-N 1 0 391.269 2.050 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(F)cc1Br ZINC000332350074 532852215 /nfs/dbraw/zinc/85/22/15/532852215.db2.gz OPSPKHHUXNYLNV-MISXGVKJSA-N 1 0 398.276 2.421 20 0 GEADRO Cc1cc(I)ccc1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000332343110 532852429 /nfs/dbraw/zinc/85/24/29/532852429.db2.gz TXKIPGYVLAWIOI-GFCCVEGCSA-N 1 0 389.237 2.181 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC[NH2+]1 ZINC000415665862 532852644 /nfs/dbraw/zinc/85/26/44/532852644.db2.gz VGIDGUZWAWYWKX-MFKMUULPSA-N 1 0 391.269 2.193 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415661066 532852720 /nfs/dbraw/zinc/85/27/20/532852720.db2.gz WYNWBJDTTIYSNF-RYUDHWBXSA-N 1 0 384.274 2.172 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000415667230 532853085 /nfs/dbraw/zinc/85/30/85/532853085.db2.gz XSWWLLJHFNRFHV-JQWIXIFHSA-N 1 0 384.274 2.043 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC[NH2+]1 ZINC000415666298 532853089 /nfs/dbraw/zinc/85/30/89/532853089.db2.gz VYTIOZSKIQEQLQ-ZJUUUORDSA-N 1 0 375.803 2.179 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332358411 532852853 /nfs/dbraw/zinc/85/28/53/532852853.db2.gz QDRXDWLHJKOCEU-MISXGVKJSA-N 1 0 398.276 2.421 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000415667234 532853269 /nfs/dbraw/zinc/85/32/69/532853269.db2.gz XSWWLLJHFNRFHV-ZYHUDNBSSA-N 1 0 384.274 2.043 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(F)cc2I)CCCO1 ZINC000332362836 532853392 /nfs/dbraw/zinc/85/33/92/532853392.db2.gz UGJBEWVAHOHWQF-JTQLQIEISA-N 1 0 393.200 2.012 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000415680845 532853677 /nfs/dbraw/zinc/85/36/77/532853677.db2.gz VKDOIXFKYBUEJJ-ZDUSSCGKSA-N 1 0 386.265 2.421 20 0 GEADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000289420429 532854147 /nfs/dbraw/zinc/85/41/47/532854147.db2.gz CMYGHEJMLLMHLA-UHFFFAOYSA-N 1 0 382.814 2.092 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415705371 532854169 /nfs/dbraw/zinc/85/41/69/532854169.db2.gz AXNZGPOMYOVQIK-UHFFFAOYSA-N 1 0 397.317 2.459 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000415680798 532853771 /nfs/dbraw/zinc/85/37/71/532853771.db2.gz VDTSJJZYNAPHBC-CYBMUJFWSA-N 1 0 386.265 2.421 20 0 GEADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cc(F)cc(Cl)c3)CC2)c1 ZINC000332376523 532853787 /nfs/dbraw/zinc/85/37/87/532853787.db2.gz DRHMADJPHJQBKM-UHFFFAOYSA-N 1 0 385.848 2.394 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000289413608 532853932 /nfs/dbraw/zinc/85/39/32/532853932.db2.gz BENXGMBARWWVMG-UHFFFAOYSA-N 1 0 380.432 2.225 20 0 GEADRO COC[C@]1(CNC(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)CCC[NH2+]1 ZINC000415704438 532854245 /nfs/dbraw/zinc/85/42/45/532854245.db2.gz HRECPQVPHJEEQM-MRXNPFEDSA-N 1 0 375.803 2.101 20 0 GEADRO Cc1ccc(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000332395250 532854831 /nfs/dbraw/zinc/85/48/31/532854831.db2.gz LGDPXWHLJFKVSQ-INIZCTEOSA-N 1 0 394.313 2.182 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1CCC[NH2+]CC1 ZINC000415731330 532854917 /nfs/dbraw/zinc/85/49/17/532854917.db2.gz VCFUSINBWVABBB-UHFFFAOYSA-N 1 0 386.246 2.072 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000415730758 532854932 /nfs/dbraw/zinc/85/49/32/532854932.db2.gz URZITGUCBQQZCN-SECBINFHSA-N 1 0 386.246 2.057 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415738438 532854960 /nfs/dbraw/zinc/85/49/60/532854960.db2.gz FIXIXALPZUZKAZ-GFCCVEGCSA-N 1 0 399.333 2.083 20 0 GEADRO O=c1nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)[nH][nH]1 ZINC000289440819 532854974 /nfs/dbraw/zinc/85/49/74/532854974.db2.gz OJZPVTPOUCPARA-ZYHUDNBSSA-N 1 0 387.267 2.024 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415732086 532855141 /nfs/dbraw/zinc/85/51/41/532855141.db2.gz WBACKEOPJCFAAX-LBPRGKRZSA-N 1 0 386.246 2.103 20 0 GEADRO C[C@@H](NC(=O)CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1cccs1 ZINC000289457076 532855145 /nfs/dbraw/zinc/85/51/45/532855145.db2.gz LQPHWGURLCDOTG-NEPJUHHUSA-N 1 0 377.432 2.316 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415760115 532855832 /nfs/dbraw/zinc/85/58/32/532855832.db2.gz LIOJNRKVUHFRTP-SSDOTTSWSA-N 1 0 380.645 2.424 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000415752967 532855946 /nfs/dbraw/zinc/85/59/46/532855946.db2.gz FIXNUDYSGXYCCR-PHIMTYICSA-N 1 0 386.279 2.399 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)C[C@@H]1C ZINC000332489675 532856009 /nfs/dbraw/zinc/85/60/09/532856009.db2.gz ACGOZONCXCYCAW-STQMWFEESA-N 1 0 395.297 2.138 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415744636 532855436 /nfs/dbraw/zinc/85/54/36/532855436.db2.gz QOWVTEUUPHIUMP-JTQLQIEISA-N 1 0 386.265 2.111 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415758356 532856108 /nfs/dbraw/zinc/85/61/08/532856108.db2.gz IHJUAIPQFHICSV-VIFPVBQESA-N 1 0 381.782 2.463 20 0 GEADRO Brc1ccn2cc(C[NH2+]C[C@H]3COC4(CCOCC4)O3)nc2c1 ZINC000289484528 532856394 /nfs/dbraw/zinc/85/63/94/532856394.db2.gz KIEVSSNJDLNSRZ-AWEZNQCLSA-N 1 0 382.258 2.109 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415767139 532856404 /nfs/dbraw/zinc/85/64/04/532856404.db2.gz ALCNLRRUERLKSW-LLVKDONJSA-N 1 0 375.210 2.159 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415766623 532856472 /nfs/dbraw/zinc/85/64/72/532856472.db2.gz WGMZIUNFRYRKRG-UHFFFAOYSA-N 1 0 386.265 2.111 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C(F)F ZINC000415789861 532857196 /nfs/dbraw/zinc/85/71/96/532857196.db2.gz OPBQSVZQJOTRPR-ZETCQYMHSA-N 1 0 389.708 2.276 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415783281 532857243 /nfs/dbraw/zinc/85/72/43/532857243.db2.gz HWVXACDPQCANDZ-GFCCVEGCSA-N 1 0 384.267 2.030 20 0 GEADRO Cc1noc(CCC[NH2+]Cc2cn(-c3ccccc3Br)nn2)n1 ZINC000289524270 532857245 /nfs/dbraw/zinc/85/72/45/532857245.db2.gz OAHQCOWXDGZYNL-UHFFFAOYSA-N 1 0 377.246 2.444 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000274837800 532857346 /nfs/dbraw/zinc/85/73/46/532857346.db2.gz RPXXPMKRAZWZRJ-ZIAGYGMSSA-N 1 0 375.947 2.244 20 0 GEADRO C[N@H+](C[C@H](O)CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000289512141 532857437 /nfs/dbraw/zinc/85/74/37/532857437.db2.gz LVKVUKONMOJLOE-WMLDXEAASA-N 1 0 387.293 2.417 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)C[C@@H]1C[NH3+] ZINC000332601393 532857757 /nfs/dbraw/zinc/85/77/57/532857757.db2.gz NHSGGUMYHQNXJC-YPMHNXCESA-N 1 0 384.307 2.321 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)c1F ZINC000415800334 532857777 /nfs/dbraw/zinc/85/77/77/532857777.db2.gz DQCFRYVQHQODIH-NSHDSACASA-N 1 0 386.265 2.484 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332582511 532857590 /nfs/dbraw/zinc/85/75/90/532857590.db2.gz GIFVQLCZJGUZTK-NSHDSACASA-N 1 0 384.249 2.142 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000415795428 532857666 /nfs/dbraw/zinc/85/76/66/532857666.db2.gz XPDHHYVDIQCEGR-NSHDSACASA-N 1 0 379.511 2.098 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415806276 532858196 /nfs/dbraw/zinc/85/81/96/532858196.db2.gz JYRRSRAJWWXXDL-DGCLKSJQSA-N 1 0 398.301 2.420 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000415806867 532858323 /nfs/dbraw/zinc/85/83/23/532858323.db2.gz PQZODEWGMLVJEU-LLVKDONJSA-N 1 0 384.274 2.045 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@H](C)[NH3+] ZINC000415805942 532858336 /nfs/dbraw/zinc/85/83/36/532858336.db2.gz KVXCFXJOIILOSO-VHSXEESVSA-N 1 0 384.267 2.029 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415821779 532858688 /nfs/dbraw/zinc/85/86/88/532858688.db2.gz OCEOMBBAVJWYCM-RYUDHWBXSA-N 1 0 398.276 2.375 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415819568 532858800 /nfs/dbraw/zinc/85/88/00/532858800.db2.gz YJGCOZJHEBWKAO-BDAKNGLRSA-N 1 0 390.228 2.300 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415819727 532858818 /nfs/dbraw/zinc/85/88/18/532858818.db2.gz YNXMSWOKULBGAM-PWSUYJOCSA-N 1 0 395.301 2.294 20 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/nfs/dbraw/zinc/85/89/98/532858998.db2.gz DGMNZYFXHQIPMN-ZDUSSCGKSA-N 1 0 390.228 2.300 20 0 GEADRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000274904994 532859112 /nfs/dbraw/zinc/85/91/12/532859112.db2.gz VXABRSMQANPZHF-CYBMUJFWSA-N 1 0 383.539 2.010 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415839730 532859808 /nfs/dbraw/zinc/85/98/08/532859808.db2.gz ORYPQMDWUWEJIR-SNVBAGLBSA-N 1 0 396.207 2.400 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415838458 532859847 /nfs/dbraw/zinc/85/98/47/532859847.db2.gz NSVIYUXHPKDIEE-SNVBAGLBSA-N 1 0 382.180 2.092 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415843471 532860341 /nfs/dbraw/zinc/86/03/41/532860341.db2.gz PWZYVRTWRXSYLM-CYBMUJFWSA-N 1 0 384.274 2.030 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415845726 532860214 /nfs/dbraw/zinc/86/02/14/532860214.db2.gz VAMVZQJSJSIXPG-JTQLQIEISA-N 1 0 382.180 2.092 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C[C@H]1C[NH3+] ZINC000415847538 532860302 /nfs/dbraw/zinc/86/03/02/532860302.db2.gz LBSRDQAEASDLAV-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415849915 532860667 /nfs/dbraw/zinc/86/06/67/532860667.db2.gz NCSBQNNJLZTZME-ZYHUDNBSSA-N 1 0 398.301 2.148 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC000415850511 532860672 /nfs/dbraw/zinc/86/06/72/532860672.db2.gz NVMJSQRZJNKCLV-KOLCDFICSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000415849109 532860702 /nfs/dbraw/zinc/86/07/02/532860702.db2.gz MKTVYHSJPUBNSI-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000415853912 532860718 /nfs/dbraw/zinc/86/07/18/532860718.db2.gz VGWCWGKGRYGEAT-MFKMUULPSA-N 1 0 382.302 2.448 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC000415849476 532860738 /nfs/dbraw/zinc/86/07/38/532860738.db2.gz MVVRUOJPQAELGJ-WCQYABFASA-N 1 0 382.302 2.448 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC000415864094 532861034 /nfs/dbraw/zinc/86/10/34/532861034.db2.gz HINLOZKJGFGEKL-GHMZBOCLSA-N 1 0 386.279 2.399 20 0 GEADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415864203 532861043 /nfs/dbraw/zinc/86/10/43/532861043.db2.gz HRDWWVMQVBLTHK-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415869018 532861236 /nfs/dbraw/zinc/86/12/36/532861236.db2.gz ZGQUAPIKPNFHON-CYBMUJFWSA-N 1 0 398.301 2.087 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1Cl)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415859511 532861194 /nfs/dbraw/zinc/86/11/94/532861194.db2.gz AWWXENDNCWUANS-QMMMGPOBSA-N 1 0 392.656 2.438 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCCC[NH2+]C2CC2)cc1Br ZINC000415859512 532861199 /nfs/dbraw/zinc/86/11/99/532861199.db2.gz AYUJTVXZSPJDEK-UHFFFAOYSA-N 1 0 384.274 2.045 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415873289 532861514 /nfs/dbraw/zinc/86/15/14/532861514.db2.gz UHQWOVVPCIGWFJ-GMTAPVOTSA-N 1 0 384.249 2.031 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000415872337 532861625 /nfs/dbraw/zinc/86/16/25/532861625.db2.gz RAMGCNFELWUXFV-OUAUKWLOSA-N 1 0 386.279 2.445 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415876196 532861758 /nfs/dbraw/zinc/86/17/58/532861758.db2.gz HQJWQWDBEIJPCV-UHFFFAOYSA-N 1 0 392.297 2.302 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@H](CO)c1cccc(Br)c1)C(F)(F)F ZINC000416001311 532862600 /nfs/dbraw/zinc/86/26/00/532862600.db2.gz CDPRYYNTGPUEPO-MNOVXSKESA-N 1 0 384.196 2.061 20 0 GEADRO CCOC(=O)c1sc([C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)nc1C ZINC000416013328 532862886 /nfs/dbraw/zinc/86/28/86/532862886.db2.gz UDHYTTOBGVQIHS-IUCAKERBSA-N 1 0 382.408 2.268 20 0 GEADRO O=C(N[C@@H]1CC[S@@](=O)C1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000332943478 532862481 /nfs/dbraw/zinc/86/24/81/532862481.db2.gz NGTWANZXXFMTRN-KDCSIKNMSA-N 1 0 387.908 2.264 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H](CCO)c1ccccc1Br)C(F)(F)F ZINC000416035696 532863435 /nfs/dbraw/zinc/86/34/35/532863435.db2.gz WIHQWXMYIYJPTP-VXGBXAGGSA-N 1 0 398.223 2.452 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289757957 532864522 /nfs/dbraw/zinc/86/45/22/532864522.db2.gz MWZPYAVHAMSMRZ-NEPJUHHUSA-N 1 0 376.507 2.067 20 0 GEADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)nc1 ZINC000289762884 532864614 /nfs/dbraw/zinc/86/46/14/532864614.db2.gz NCVOYAKIGBGWRN-LLVKDONJSA-N 1 0 384.299 2.385 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333302941 532866325 /nfs/dbraw/zinc/86/63/25/532866325.db2.gz KOGBGZBGTRAIEJ-KRWDZBQOSA-N 1 0 390.285 2.852 20 0 GEADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333299075 532866390 /nfs/dbraw/zinc/86/63/90/532866390.db2.gz KEBDUQQAMCYPLT-VHSXEESVSA-N 1 0 381.864 3.071 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333302942 532866395 /nfs/dbraw/zinc/86/63/95/532866395.db2.gz KOGBGZBGTRAIEJ-QGZVFWFLSA-N 1 0 390.285 2.852 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000333199842 532866148 /nfs/dbraw/zinc/86/61/48/532866148.db2.gz XJQVVEJMZKZVIM-OLZOCXBDSA-N 1 0 379.511 2.627 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333342807 532867110 /nfs/dbraw/zinc/86/71/10/532867110.db2.gz PZHHBECFKUOCFT-OLZOCXBDSA-N 1 0 390.285 2.708 20 0 GEADRO O=C(Nc1ccc(-c2ccc(Br)s2)nn1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333330866 532866996 /nfs/dbraw/zinc/86/69/96/532866996.db2.gz OHUWGLIZPZRVNY-KOLCDFICSA-N 1 0 394.298 2.793 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000289916136 532867785 /nfs/dbraw/zinc/86/77/85/532867785.db2.gz AVBIFCXZINQKEA-GFCCVEGCSA-N 1 0 385.306 2.328 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)C[C@H]12 ZINC000333398985 532868151 /nfs/dbraw/zinc/86/81/51/532868151.db2.gz YLNSIKCSIYOCRA-TUKIKUTGSA-N 1 0 390.285 2.836 20 0 GEADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333401542 532868159 /nfs/dbraw/zinc/86/81/59/532868159.db2.gz YUIJTTPFFWLNET-NXEZZACHSA-N 1 0 381.864 3.071 20 0 GEADRO O=C(NC[C@H]1CC[NH2+]C1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000333475888 532869003 /nfs/dbraw/zinc/86/90/03/532869003.db2.gz BKAVFHIEVVALHP-LBPRGKRZSA-N 1 0 385.295 2.070 20 0 GEADRO O=C(CSc1cccc(Br)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289953423 532869061 /nfs/dbraw/zinc/86/90/61/532869061.db2.gz PHDGOAFXIHKVBZ-AWEZNQCLSA-N 1 0 384.343 2.047 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)[C@H]([NH3+])CCC(=O)OC)cc1Cl ZINC000289985005 532869254 /nfs/dbraw/zinc/86/92/54/532869254.db2.gz QTABWGSIZTZWCC-GFCCVEGCSA-N 1 0 379.240 2.238 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000333478072 532869497 /nfs/dbraw/zinc/86/94/97/532869497.db2.gz BSDDPQAVTJUERZ-XJKSGUPXSA-N 1 0 376.881 2.386 20 0 GEADRO O=C(NC[C@@H]1CC[NH2+]C1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000333503118 532869864 /nfs/dbraw/zinc/86/98/64/532869864.db2.gz FPEONFXLHHIPBZ-GFCCVEGCSA-N 1 0 385.295 2.070 20 0 GEADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333518188 532869892 /nfs/dbraw/zinc/86/98/92/532869892.db2.gz GMVJNBGZONUCJS-BLLLJJGKSA-N 1 0 375.270 2.459 20 0 GEADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290015877 532870108 /nfs/dbraw/zinc/87/01/08/532870108.db2.gz FCGNHDJIAOAHRS-STQMWFEESA-N 1 0 375.270 2.316 20 0 GEADRO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000416307543 532870460 /nfs/dbraw/zinc/87/04/60/532870460.db2.gz LDULSLHYKQJSGJ-OLZOCXBDSA-N 1 0 387.293 2.434 20 0 GEADRO CN(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)C(C)(C)C[NH+]1CCCC1 ZINC000416334448 532870897 /nfs/dbraw/zinc/87/08/97/532870897.db2.gz QBHKTWDVGNRNJV-UHFFFAOYSA-N 1 0 393.962 2.013 20 0 GEADRO O=C(c1ccc(F)cc1Br)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333554498 532871196 /nfs/dbraw/zinc/87/11/96/532871196.db2.gz VDMHXWOKJKLTPC-CYBMUJFWSA-N 1 0 398.276 2.015 20 0 GEADRO O=C(c1ncccc1Br)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333563513 532870948 /nfs/dbraw/zinc/87/09/48/532870948.db2.gz LICUQSQTKBFWJI-UHFFFAOYSA-N 1 0 376.258 2.121 20 0 GEADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290048126 532871400 /nfs/dbraw/zinc/87/14/00/532871400.db2.gz GYLSJVNLEGDBIB-BDAKNGLRSA-N 1 0 392.187 2.251 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CC2)C1 ZINC000333652838 532871492 /nfs/dbraw/zinc/87/14/92/532871492.db2.gz KDRHXBDGEGRBPS-ABAIWWIYSA-N 1 0 378.416 2.011 20 0 GEADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000333694543 532872120 /nfs/dbraw/zinc/87/21/20/532872120.db2.gz QCXBBDSBCUSNGQ-ZDUSSCGKSA-N 1 0 395.301 2.171 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333720800 532872319 /nfs/dbraw/zinc/87/23/19/532872319.db2.gz GOHIAGCQZKLENJ-GPCCPHFNSA-N 1 0 384.249 2.273 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000333717389 532872637 /nfs/dbraw/zinc/87/26/37/532872637.db2.gz UAKGYNKMFGLPGU-XJKSGUPXSA-N 1 0 388.917 2.256 20 0 GEADRO Brc1c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)nc2ccccn12 ZINC000290101195 532872753 /nfs/dbraw/zinc/87/27/53/532872753.db2.gz RZIGBVIUCKSCAC-AWEZNQCLSA-N 1 0 379.302 2.251 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333746394 532872836 /nfs/dbraw/zinc/87/28/36/532872836.db2.gz JMFAJARDHMOTNU-QCZZGDTMSA-N 1 0 384.249 2.415 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)CC2 ZINC000333778394 532873404 /nfs/dbraw/zinc/87/34/04/532873404.db2.gz DJOPRCSKJGMNJI-AWEZNQCLSA-N 1 0 382.302 2.204 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C[C@H]1[NH+]1CCCC1 ZINC000275334164 532873131 /nfs/dbraw/zinc/87/31/31/532873131.db2.gz VZBUQBNTWXUXFF-NEPJUHHUSA-N 1 0 375.416 2.458 20 0 GEADRO CCCc1cc(=O)n2nc(N3C[C@@H](SC)[C@@H]([NH+]4CCCC4)C3)sc2n1 ZINC000275385332 532874575 /nfs/dbraw/zinc/87/45/75/532874575.db2.gz BZFYGEQTXSZTKS-UONOGXRCSA-N 1 0 379.555 2.120 20 0 GEADRO O=C(CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccccc1Br ZINC000333877080 532874603 /nfs/dbraw/zinc/87/46/03/532874603.db2.gz TTZHDDGXJMRALI-CJNGLKHVSA-N 1 0 394.313 2.088 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000416390857 532874877 /nfs/dbraw/zinc/87/48/77/532874877.db2.gz PYYDTQISKOKBGQ-GFCCVEGCSA-N 1 0 386.901 2.422 20 0 GEADRO COc1cc(C[NH2+][C@@H](C)CN(C)C)cc(I)c1OC ZINC000290199828 532874888 /nfs/dbraw/zinc/87/48/88/532874888.db2.gz UONAGLUDIRWZBP-JTQLQIEISA-N 1 0 378.254 2.348 20 0 GEADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333897548 532874991 /nfs/dbraw/zinc/87/49/91/532874991.db2.gz ZGOIKIMJAAHHFS-BARDWOONSA-N 1 0 383.279 2.324 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cc(Br)c4c(c3)OCCO4)C[C@@H]12 ZINC000333937779 532875903 /nfs/dbraw/zinc/87/59/03/532875903.db2.gz LXIOTJURDSZQGU-OUCADQQQSA-N 1 0 396.285 2.099 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NOCc2ccc(F)cc2Br)C1 ZINC000275433172 532876238 /nfs/dbraw/zinc/87/62/38/532876238.db2.gz DEELWBWYEIHRKQ-CYBMUJFWSA-N 1 0 390.253 2.040 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000275457488 532876682 /nfs/dbraw/zinc/87/66/82/532876682.db2.gz AZFQBGDKADMNLT-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)ccc1Cl ZINC000416407597 532876696 /nfs/dbraw/zinc/87/66/96/532876696.db2.gz LHFZYTVPYHAWLB-UHFFFAOYSA-N 1 0 376.906 2.080 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000334009213 532877497 /nfs/dbraw/zinc/87/74/97/532877497.db2.gz XNRDBRIVXRBSEM-JQWIXIFHSA-N 1 0 389.315 2.065 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)NCCc2ccc(I)s2)C1 ZINC000417442236 532879960 /nfs/dbraw/zinc/87/99/60/532879960.db2.gz SVEIDNMBPKUJKX-SNVBAGLBSA-N 1 0 393.294 2.289 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)NCc2cc(OC)c(OC)cc2Br)C1 ZINC000417446464 532879715 /nfs/dbraw/zinc/87/97/15/532879715.db2.gz LMDKUPVBTWQMTH-GFCCVEGCSA-N 1 0 386.290 2.360 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000417447012 532879744 /nfs/dbraw/zinc/87/97/44/532879744.db2.gz NZNLNNWNQJJUEI-GWCFXTLKSA-N 1 0 386.290 2.345 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000417447014 532879897 /nfs/dbraw/zinc/87/98/97/532879897.db2.gz NZNLNNWNQJJUEI-MFKMUULPSA-N 1 0 386.290 2.345 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NCCc1ccc(I)s1 ZINC000417443238 532879899 /nfs/dbraw/zinc/87/98/99/532879899.db2.gz XSCKMCCZIHNAFM-SECBINFHSA-N 1 0 381.283 2.322 20 0 GEADRO COc1cccc([C@H](CNC(=O)NCc2nnc(SC)s2)[NH+](C)C)c1 ZINC000275616399 532879952 /nfs/dbraw/zinc/87/99/52/532879952.db2.gz IXFAIHNXIRGIEB-ZDUSSCGKSA-N 1 0 381.527 2.371 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000418921199 532881841 /nfs/dbraw/zinc/88/18/41/532881841.db2.gz CJMVFNSZPWLVQQ-CQSZACIVSA-N 1 0 388.281 2.036 20 0 GEADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419575507 532882231 /nfs/dbraw/zinc/88/22/31/532882231.db2.gz UCDBJTGNZZWILQ-SGTLLEGYSA-N 1 0 384.307 2.253 20 0 GEADRO C[C@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419530484 532882378 /nfs/dbraw/zinc/88/23/78/532882378.db2.gz ZSVCYUYIITWESY-AXFHLTTASA-N 1 0 380.436 2.319 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)[C@H]1C[NH3+] ZINC000419725258 532882589 /nfs/dbraw/zinc/88/25/89/532882589.db2.gz IBUDPGZDTKATRZ-WQAKAFBOSA-N 1 0 386.279 2.129 20 0 GEADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000290499963 532882867 /nfs/dbraw/zinc/88/28/67/532882867.db2.gz WSBBIEJJNKKFKL-CYBMUJFWSA-N 1 0 384.855 2.417 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000419870510 532883291 /nfs/dbraw/zinc/88/32/91/532883291.db2.gz KKSHQCRAKUAYTQ-GPANFISMSA-N 1 0 394.313 2.499 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419871717 532883377 /nfs/dbraw/zinc/88/33/77/532883377.db2.gz XTQGPZICNHVESB-BBRMVZONSA-N 1 0 394.313 2.228 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1Cl ZINC000420452964 532883536 /nfs/dbraw/zinc/88/35/36/532883536.db2.gz TUDLXPSVJYTJID-UHFFFAOYSA-N 1 0 397.324 2.439 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000420460151 532883574 /nfs/dbraw/zinc/88/35/74/532883574.db2.gz KOWWXURARADPLM-LLVKDONJSA-N 1 0 386.848 2.016 20 0 GEADRO OC[C@H]1CCC[N@@H+]1CCCCNCc1nc2ccccn2c1Br ZINC000290423059 532880515 /nfs/dbraw/zinc/88/05/15/532880515.db2.gz RDIBEWLVAIKQQP-CQSZACIVSA-N 1 0 381.318 2.423 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000418424732 532880729 /nfs/dbraw/zinc/88/07/29/532880729.db2.gz IAQVIWKQQKZJCO-AWEZNQCLSA-N 1 0 397.317 2.149 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418417707 532880760 /nfs/dbraw/zinc/88/07/60/532880760.db2.gz VLRXQLNSGFBQRJ-GLQYFDAESA-N 1 0 388.281 2.438 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000420457613 532883855 /nfs/dbraw/zinc/88/38/55/532883855.db2.gz HXUOINIWFGEERS-WBMJQRKESA-N 1 0 386.901 2.279 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420451522 532883858 /nfs/dbraw/zinc/88/38/58/532883858.db2.gz BJZITQVKIIIZBQ-DOMZBBRYSA-N 1 0 386.901 2.279 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000418427821 532880786 /nfs/dbraw/zinc/88/07/86/532880786.db2.gz PDNONOOGSJLRAI-CQSZACIVSA-N 1 0 397.317 2.149 20 0 GEADRO CC(C)([NH3+])CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000418417576 532880818 /nfs/dbraw/zinc/88/08/18/532880818.db2.gz UQUYXIQSLBHUKU-UHFFFAOYSA-N 1 0 379.814 2.323 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C1CC1 ZINC000418412681 532880873 /nfs/dbraw/zinc/88/08/73/532880873.db2.gz YBBOGVQIAQQQBB-CYBMUJFWSA-N 1 0 387.347 2.075 20 0 GEADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(CCO)Cc1cccc(Br)c1 ZINC000418423008 532880909 /nfs/dbraw/zinc/88/09/09/532880909.db2.gz JAYMBWBWQBPNIP-XYPWUTKMSA-N 1 0 382.302 2.236 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000418448413 532881164 /nfs/dbraw/zinc/88/11/64/532881164.db2.gz RXDCCJAONJOPGZ-CABCVRRESA-N 1 0 397.317 2.005 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418447282 532881195 /nfs/dbraw/zinc/88/11/95/532881195.db2.gz QMWDBGPJDCADCT-HOCLYGCPSA-N 1 0 386.334 2.273 20 0 GEADRO Brc1ccn2cc(CN3CC[NH+](C[C@H]4CCOC4)CC3)nc2c1 ZINC000290439043 532881305 /nfs/dbraw/zinc/88/13/05/532881305.db2.gz NSEFYOSSOZXWKC-CQSZACIVSA-N 1 0 379.302 2.251 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1O ZINC000290694183 532886551 /nfs/dbraw/zinc/88/65/51/532886551.db2.gz MXPVVGOMFFFVIL-LLVKDONJSA-N 1 0 378.441 2.316 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@]3(CCSC3)C1)CCC2 ZINC000290707305 532887033 /nfs/dbraw/zinc/88/70/33/532887033.db2.gz NTSHUNSBDAOQIB-QGTPRVQTSA-N 1 0 382.551 2.356 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1Br ZINC000275993741 532887348 /nfs/dbraw/zinc/88/73/48/532887348.db2.gz FTNZDLWXDBKQAQ-GFCCVEGCSA-N 1 0 380.286 2.463 20 0 GEADRO CS[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@@H]1[NH+]1CCCC1 ZINC000290699816 532887350 /nfs/dbraw/zinc/88/73/50/532887350.db2.gz LMRVRMFKOPUGQA-STQMWFEESA-N 1 0 376.448 2.249 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000420597111 532884479 /nfs/dbraw/zinc/88/44/79/532884479.db2.gz IDZFCMFLKNJYPW-UHFFFAOYSA-N 1 0 390.709 2.177 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCc2c1cccc2Br ZINC000421169960 532889563 /nfs/dbraw/zinc/88/95/63/532889563.db2.gz DVJZLIXOEUZBMA-STQMWFEESA-N 1 0 392.297 2.081 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421168344 532889578 /nfs/dbraw/zinc/88/95/78/532889578.db2.gz ANKQYBFEMLQKTG-CYBMUJFWSA-N 1 0 394.313 2.186 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[C@H]1N1CCOCC1)c1cc(F)ccc1Cl ZINC000360231006 532889607 /nfs/dbraw/zinc/88/96/07/532889607.db2.gz SLAJILQMVKKEGE-SWLSCSKDSA-N 1 0 376.881 2.258 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000421306737 532889753 /nfs/dbraw/zinc/88/97/53/532889753.db2.gz WJHYUBSDWWIVTR-NSHDSACASA-N 1 0 375.803 2.433 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421307241 532889782 /nfs/dbraw/zinc/88/97/82/532889782.db2.gz XCFZGSDQVKOMEX-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421176637 532889266 /nfs/dbraw/zinc/88/92/66/532889266.db2.gz FKWAUOGVIUVYQD-LBPRGKRZSA-N 1 0 382.302 2.185 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCOc1ccc(Cl)cn1)CCC2 ZINC000290851799 532891025 /nfs/dbraw/zinc/89/10/25/532891025.db2.gz ZOPVKYPAINQXDK-MRXNPFEDSA-N 1 0 381.885 2.428 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)CCN1C1CC[NH+](C)CC1 ZINC000360827471 532891444 /nfs/dbraw/zinc/89/14/44/532891444.db2.gz DQFTYZUQUOMFFV-CYBMUJFWSA-N 1 0 389.924 2.268 20 0 GEADRO COCCOCCOCC[N@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000276232658 532891526 /nfs/dbraw/zinc/89/15/26/532891526.db2.gz KUUQKKKXHPAWKG-OAHLLOKOSA-N 1 0 396.311 2.345 20 0 GEADRO C[C@H](O)C[NH+]1CCN(Cc2c(Br)cncc2Br)CC1 ZINC000290901222 532892313 /nfs/dbraw/zinc/89/23/13/532892313.db2.gz NYJNDFFNPAEDIA-JTQLQIEISA-N 1 0 393.123 2.105 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC[C@H]1[NH3+] ZINC000423079347 532893394 /nfs/dbraw/zinc/89/33/94/532893394.db2.gz QOFSUTXUYCLKLH-MLGOLLRUSA-N 1 0 394.313 2.136 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000423078515 532893449 /nfs/dbraw/zinc/89/34/49/532893449.db2.gz OSQRCDGQKAIBHY-AWEZNQCLSA-N 1 0 394.313 2.008 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423096862 532893460 /nfs/dbraw/zinc/89/34/60/532893460.db2.gz IHPONKVSQXKXPD-GOEBONIOSA-N 1 0 394.313 2.008 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423096864 532893527 /nfs/dbraw/zinc/89/35/27/532893527.db2.gz IHPONKVSQXKXPD-ZBFHGGJFSA-N 1 0 394.313 2.008 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cc(Br)cn1C ZINC000361431264 532893682 /nfs/dbraw/zinc/89/36/82/532893682.db2.gz YFLBAFHVPYGAEJ-BPLDGKMQSA-N 1 0 384.318 2.407 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000423105942 532894292 /nfs/dbraw/zinc/89/42/92/532894292.db2.gz NVGDERRUGBXNQT-CZUORRHYSA-N 1 0 394.313 2.122 20 0 GEADRO C[C@H]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000424017378 532894532 /nfs/dbraw/zinc/89/45/32/532894532.db2.gz OXFNEZXHLWDUQG-JSGCOSHPSA-N 1 0 382.302 2.012 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C[C@@H]1C[NH3+] ZINC000424028615 532894616 /nfs/dbraw/zinc/89/46/16/532894616.db2.gz YUNHVCUUEWYSAF-RDBSUJKOSA-N 1 0 394.313 2.245 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423053622 532892949 /nfs/dbraw/zinc/89/29/49/532892949.db2.gz SCGKZEVLRZWKRT-GFCCVEGCSA-N 1 0 380.290 2.141 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423034213 532892963 /nfs/dbraw/zinc/89/29/63/532892963.db2.gz POZXQWWIMHVZEM-JKSUJKDBSA-N 1 0 380.286 2.356 20 0 GEADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC(C)(C)CC[NH3+] ZINC000424048041 532895196 /nfs/dbraw/zinc/89/51/96/532895196.db2.gz PVEOCJUKEJYOMK-NSHDSACASA-N 1 0 391.331 2.103 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000291031908 532895340 /nfs/dbraw/zinc/89/53/40/532895340.db2.gz NMHFBDWYRWCPBH-UHFFFAOYSA-N 1 0 381.468 2.187 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000424053393 532895473 /nfs/dbraw/zinc/89/54/73/532895473.db2.gz ONVICSDYCQAHAA-OSFYFWSMSA-N 1 0 396.329 2.399 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291196873 532897811 /nfs/dbraw/zinc/89/78/11/532897811.db2.gz PRJYRMFWIAEETM-IUODEOHRSA-N 1 0 380.432 2.000 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000276846662 532902098 /nfs/dbraw/zinc/90/20/98/532902098.db2.gz UDZSGXQSARHRJB-SECBINFHSA-N 1 0 376.682 2.497 20 0 GEADRO CN1C(=O)CSC12CC[NH+](C[C@@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000363771975 532900911 /nfs/dbraw/zinc/90/09/11/532900911.db2.gz AAXLSYYJYBYTMU-MRXNPFEDSA-N 1 0 384.929 2.215 20 0 GEADRO O=C(CCN1CCN2C(=O)OC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000363840431 532901378 /nfs/dbraw/zinc/90/13/78/532901378.db2.gz CLNWONYXNBWJCK-LLVKDONJSA-N 1 0 386.221 2.053 20 0 GEADRO CC[NH+](CC)CCCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000276981431 532905255 /nfs/dbraw/zinc/90/52/55/532905255.db2.gz HDODNLQRUNMHJM-UHFFFAOYSA-N 1 0 375.922 2.275 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000364046049 532903075 /nfs/dbraw/zinc/90/30/75/532903075.db2.gz WQYLFCDOJWTHIB-ZDUSSCGKSA-N 1 0 386.539 2.481 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000291507666 532903310 /nfs/dbraw/zinc/90/33/10/532903310.db2.gz OHPUCIAVVBXBNF-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@@H]1c1ccc(F)cc1 ZINC000364178820 532904223 /nfs/dbraw/zinc/90/42/23/532904223.db2.gz ARIPRQMGZLQOLG-CHWSQXEVSA-N 1 0 399.207 2.325 20 0 GEADRO [NH3+][C@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@@H]1c1ccc(F)cc1 ZINC000364205359 532904881 /nfs/dbraw/zinc/90/48/81/532904881.db2.gz ZTSLCYMTTXXLCE-OCCSQVGLSA-N 1 0 380.217 2.256 20 0 GEADRO C[C@H](CC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(F)c(Br)c1 ZINC000291608280 532905019 /nfs/dbraw/zinc/90/50/19/532905019.db2.gz DFHOODYANLZAOY-TZMCWYRMSA-N 1 0 386.309 2.444 20 0 GEADRO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000364682089 532907858 /nfs/dbraw/zinc/90/78/58/532907858.db2.gz MPXLDNNADVTMPU-HZPDHXFCSA-N 1 0 395.301 2.335 20 0 GEADRO O=C(Nc1cnc(N2CCOCC2)c(Br)c1)C12CCC[NH+]1CCC2 ZINC000291644321 532905791 /nfs/dbraw/zinc/90/57/91/532905791.db2.gz UCGCESZEYIWHOI-UHFFFAOYSA-N 1 0 395.301 2.248 20 0 GEADRO O=C(Nc1cc(F)cc(Cl)c1)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000364287439 532905911 /nfs/dbraw/zinc/90/59/11/532905911.db2.gz FOXZBCNSLZZNBV-CQSZACIVSA-N 1 0 389.880 2.252 20 0 GEADRO Cc1csc2nc(C)nc(N3CCC([NH2+][C@@H]4CCS(=O)(=O)C4)CC3)c12 ZINC000364292876 532906116 /nfs/dbraw/zinc/90/61/16/532906116.db2.gz QTBPQDUNIROYHM-CQSZACIVSA-N 1 0 380.539 2.054 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cnc2Br)[C@@H](C)C1 ZINC000291651689 532906300 /nfs/dbraw/zinc/90/63/00/532906300.db2.gz DWLSBKIUHIDAJP-GXTWGEPZSA-N 1 0 397.317 2.280 20 0 GEADRO CS(=O)(=O)CCCCCNC(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000364366300 532906385 /nfs/dbraw/zinc/90/63/85/532906385.db2.gz ZENZMOKQBQLUGP-UHFFFAOYSA-N 1 0 387.571 2.227 20 0 GEADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)[nH]1 ZINC000277041430 532906693 /nfs/dbraw/zinc/90/66/93/532906693.db2.gz PCVMAFSUYREXQB-CQSZACIVSA-N 1 0 394.313 2.420 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000364605785 532907101 /nfs/dbraw/zinc/90/71/01/532907101.db2.gz VCCNMBOZQOQLNF-JONQDZQNSA-N 1 0 379.913 2.336 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000277082299 532907758 /nfs/dbraw/zinc/90/77/58/532907758.db2.gz ANCHNQHZDUJMRE-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000291846226 532909443 /nfs/dbraw/zinc/90/94/43/532909443.db2.gz SVDGXMXLNSZVRV-GXTWGEPZSA-N 1 0 395.301 2.034 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365297575 532909514 /nfs/dbraw/zinc/90/95/14/532909514.db2.gz VGGNPHHVTIUORL-PELKAZGASA-N 1 0 381.242 2.100 20 0 GEADRO CCN1CC[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000364709152 532908225 /nfs/dbraw/zinc/90/82/25/532908225.db2.gz JWVYRBRSUCEIEZ-NUTKFTJISA-N 1 0 376.444 2.406 20 0 GEADRO CCN1C(=O)[C@@H]2CN(c3ccnc4ccc(Br)cc43)CCN2C1=O ZINC000364866782 532908371 /nfs/dbraw/zinc/90/83/71/532908371.db2.gz BEUMPCGMCQTYPY-HNNXBMFYSA-N 1 0 389.253 2.470 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000291795598 532908628 /nfs/dbraw/zinc/90/86/28/532908628.db2.gz QDMADVXKLDVLAP-UHFFFAOYSA-N 1 0 397.317 2.082 20 0 GEADRO CCN1CCO[C@@H](CN2CCN(Cc3cnc(C(F)(F)F)s3)CC2)C1 ZINC000365796477 532911970 /nfs/dbraw/zinc/91/19/70/532911970.db2.gz QBUMTRUIQHCDJL-CYBMUJFWSA-N 1 0 378.464 2.000 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)C1 ZINC000292080014 532912748 /nfs/dbraw/zinc/91/27/48/532912748.db2.gz CISOHCIYVSBVEN-OAHLLOKOSA-N 1 0 376.400 2.148 20 0 GEADRO Cc1cnc(Br)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000291997897 532911719 /nfs/dbraw/zinc/91/17/19/532911719.db2.gz HMKULEZKLLLBBV-GFCCVEGCSA-N 1 0 385.306 2.461 20 0 GEADRO CC[C@@H](NC(=O)C[C@H](C[NH3+])OC)c1noc(-c2cccc(Br)c2)n1 ZINC000365711932 532911753 /nfs/dbraw/zinc/91/17/53/532911753.db2.gz MCSVKCRVLBDAIP-CHWSQXEVSA-N 1 0 397.273 2.430 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN([C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C2)C1 ZINC000292099721 532912846 /nfs/dbraw/zinc/91/28/46/532912846.db2.gz OVZIUSOBYMXADC-YJBOKZPZSA-N 1 0 392.297 2.109 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000366274587 532915626 /nfs/dbraw/zinc/91/56/26/532915626.db2.gz UXBLOVHJSGGJAY-AWEZNQCLSA-N 1 0 385.555 2.169 20 0 GEADRO O=C(NC[C@]1(N2CCOCC2)CCCOC1)Nc1cccc(Br)c1 ZINC000366273207 532915814 /nfs/dbraw/zinc/91/58/14/532915814.db2.gz PGOYZZRAMORJOY-QGZVFWFLSA-N 1 0 398.301 2.452 20 0 GEADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366290228 532916002 /nfs/dbraw/zinc/91/60/02/532916002.db2.gz SZQRXSFBLZBMEN-UFBFGSQYSA-N 1 0 381.242 2.100 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)[C@H]1OCCc2sccc21 ZINC000292400486 532916092 /nfs/dbraw/zinc/91/60/92/532916092.db2.gz LDUODYABAQRVLY-BJOOFOGMSA-N 1 0 381.519 2.477 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000366314670 532916135 /nfs/dbraw/zinc/91/61/35/532916135.db2.gz BRERYBSYSDYWMG-IAQYHMDHSA-N 1 0 387.299 2.024 20 0 GEADRO O=C(CC[C@H]1CCC[NH2+]1)NCCCNC(=O)c1cccc(Br)c1 ZINC000292129157 532913546 /nfs/dbraw/zinc/91/35/46/532913546.db2.gz RICUQQCUFNPVRW-OAHLLOKOSA-N 1 0 382.302 2.217 20 0 GEADRO Cn1ncc(I)c1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000292221606 532914385 /nfs/dbraw/zinc/91/43/85/532914385.db2.gz KCCLKJGOECIFAF-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CCc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000292243906 532914582 /nfs/dbraw/zinc/91/45/82/532914582.db2.gz RVZYKPQUAPZLCM-MRXNPFEDSA-N 1 0 386.583 2.347 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000292451253 532916642 /nfs/dbraw/zinc/91/66/42/532916642.db2.gz SRGCSCBMSKVCRC-ZDUSSCGKSA-N 1 0 389.949 2.296 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000366388968 532916846 /nfs/dbraw/zinc/91/68/46/532916846.db2.gz MGOOAYWZQTUAHK-UHFFFAOYSA-N 1 0 385.302 2.181 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(C)c1I ZINC000292638863 532917117 /nfs/dbraw/zinc/91/71/17/532917117.db2.gz BNFCHWDGYKWEMO-LLVKDONJSA-N 1 0 390.269 2.019 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366457777 532917431 /nfs/dbraw/zinc/91/74/31/532917431.db2.gz BVYAIAJPOXCAJM-KNXALSJPSA-N 1 0 382.291 2.418 20 0 GEADRO C[C@H]1[C@@H](NC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)CCS1(=O)=O ZINC000292840511 532919166 /nfs/dbraw/zinc/91/91/66/532919166.db2.gz YKJGCXJGINFGGF-OBJOEFQTSA-N 1 0 386.543 2.072 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1c(Cl)cnn1C ZINC000366642446 532919662 /nfs/dbraw/zinc/91/96/62/532919662.db2.gz VKRACNPCJNGGMO-CZUORRHYSA-N 1 0 382.917 2.262 20 0 GEADRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000292949029 532920173 /nfs/dbraw/zinc/92/01/73/532920173.db2.gz OBADMSKIOZNTRV-VNHYZAJKSA-N 1 0 380.794 2.141 20 0 GEADRO O=C(C[C@H]1CCCS(=O)(=O)C1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000292942403 532920183 /nfs/dbraw/zinc/92/01/83/532920183.db2.gz HYTYIJBSALCECM-MRXNPFEDSA-N 1 0 384.567 2.291 20 0 GEADRO O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc(Br)cc1F ZINC000367460348 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20 0 GEADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1nn(C)cc1Br ZINC000293172867 532923074 /nfs/dbraw/zinc/92/30/74/532923074.db2.gz SUCBUYHSAFUIBL-UHFFFAOYSA-N 1 0 392.301 2.495 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000293351097 532925518 /nfs/dbraw/zinc/92/55/18/532925518.db2.gz JJVHKJPRTAAWFO-GFCCVEGCSA-N 1 0 395.301 2.261 20 0 GEADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293272684 532924613 /nfs/dbraw/zinc/92/46/13/532924613.db2.gz GOQWUSODRDXXMM-BLLLJJGKSA-N 1 0 375.270 2.459 20 0 GEADRO C[C@@H]1CN(CC(=O)Nc2ccccc2I)C[C@H](C)[N@H+]1C ZINC000293409406 532926286 /nfs/dbraw/zinc/92/62/86/532926286.db2.gz MIKDOOFLXGMETL-TXEJJXNPSA-N 1 0 387.265 2.254 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000293456961 532927075 /nfs/dbraw/zinc/92/70/75/532927075.db2.gz QNHLCVVUWXBDKN-UHFFFAOYSA-N 1 0 397.317 2.364 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000367799680 532927328 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0 392.529 2.108 20 0 GEADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737143155 598960395 /nfs/dbraw/zinc/96/03/95/598960395.db2.gz SQBFSFJKYLGSOC-SUMWQHHRSA-N 1 0 378.436 2.331 20 0 GEADRO C[NH+]1CCC(NC(=O)c2cccc(COc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000736854771 598964982 /nfs/dbraw/zinc/96/49/82/598964982.db2.gz IAYNVPDDPCIRCS-UHFFFAOYSA-N 1 0 392.463 2.270 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000737032529 598984810 /nfs/dbraw/zinc/98/48/10/598984810.db2.gz LSYSHZDGCJPJIT-CQSZACIVSA-N 1 0 375.473 2.270 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000737033770 598985061 /nfs/dbraw/zinc/98/50/61/598985061.db2.gz YOABQGDNQPKTIO-MRXNPFEDSA-N 1 0 395.467 2.232 20 0 GEADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000737371318 598986582 /nfs/dbraw/zinc/98/65/82/598986582.db2.gz BPHZDHVIUNCYSK-CRAIPNDOSA-N 1 0 375.436 2.018 20 0 GEADRO CO[C@@H](C)C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C(C)C ZINC000736959309 598993739 /nfs/dbraw/zinc/99/37/39/598993739.db2.gz AJIOUGAEEJLNKM-LBPRGKRZSA-N 1 0 392.529 2.491 20 0 GEADRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C12CCCC2 ZINC000736612299 598994252 /nfs/dbraw/zinc/99/42/52/598994252.db2.gz NHLXNKWLOYNEHE-DLBZAZTESA-N 1 0 384.484 2.475 20 0 GEADRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1cccnc1 ZINC000735974072 599024573 /nfs/dbraw/zinc/02/45/73/599024573.db2.gz IAXHUIWWQZGYLG-MRXNPFEDSA-N 1 0 393.495 2.346 20 0 GEADRO COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(-c4nn[nH]n4)nc3)CC[N@@H+]2C)cc1 ZINC000737075043 599028206 /nfs/dbraw/zinc/02/82/06/599028206.db2.gz IRNCZTQYNJISNY-MAUKXSAKSA-N 1 0 394.435 2.120 20 0 GEADRO COCCC[NH+]1CCC(Nc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736981966 599051629 /nfs/dbraw/zinc/05/16/29/599051629.db2.gz OINAQPVXCNPBMB-UHFFFAOYSA-N 1 0 385.394 2.193 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCCn1ccc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736959 599087308 /nfs/dbraw/zinc/08/73/08/599087308.db2.gz NWDTVFRNUHXHNZ-SFHVURJKSA-N 1 0 375.436 2.028 20 0 GEADRO CC[NH+](CC)Cc1ccc(CN[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736531184 599089152 /nfs/dbraw/zinc/08/91/52/599089152.db2.gz SGWBKBDOGPSAEE-LJQANCHMSA-N 1 0 393.495 2.025 20 0 GEADRO Cc1cccc2[nH]cc(CC[NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)c21 ZINC000737409917 599098445 /nfs/dbraw/zinc/09/84/45/599098445.db2.gz UNJOXRCZBNYPAD-SFHVURJKSA-N 1 0 375.436 2.015 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000819866572 599103884 /nfs/dbraw/zinc/10/38/84/599103884.db2.gz OBGDXKWHOJKQOP-OCCSQVGLSA-N 1 0 389.891 2.017 20 0 GEADRO Cc1cccnc1[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000737436046 599134289 /nfs/dbraw/zinc/13/42/89/599134289.db2.gz QNZCLMMLYKMGIK-SFHVURJKSA-N 1 0 379.468 2.173 20 0 GEADRO Cc1cccnc1[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737435277 599134568 /nfs/dbraw/zinc/13/45/68/599134568.db2.gz MFKWXDUBDJANMI-GOSISDBHSA-N 1 0 379.468 2.173 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000738383410 599137291 /nfs/dbraw/zinc/13/72/91/599137291.db2.gz BLMLURPIJPHXBC-MJGOQNOKSA-N 1 0 379.464 2.171 20 0 GEADRO C[C@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)[C@H]1C ZINC000736264045 599137343 /nfs/dbraw/zinc/13/73/43/599137343.db2.gz BFIPMSWGMQMISH-KBPBESRZSA-N 1 0 380.456 2.111 20 0 GEADRO CC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736351671 599145670 /nfs/dbraw/zinc/14/56/70/599145670.db2.gz QVLCKFZRADUUOY-LJQANCHMSA-N 1 0 378.480 2.436 20 0 GEADRO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737878431 599145788 /nfs/dbraw/zinc/14/57/88/599145788.db2.gz PKLFUJSLCMPOOO-UHFFFAOYSA-N 1 0 390.875 2.351 20 0 GEADRO OCC1([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCOCC1 ZINC000738393476 599177716 /nfs/dbraw/zinc/17/77/16/599177716.db2.gz MWSNTJCYYDVEAP-UHFFFAOYSA-N 1 0 395.463 2.077 20 0 GEADRO CC(C)c1ccc(CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735925040 599212095 /nfs/dbraw/zinc/21/20/95/599212095.db2.gz WLHNDDSIOSSPIV-MRXNPFEDSA-N 1 0 380.500 2.451 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000821161554 599214373 /nfs/dbraw/zinc/21/43/73/599214373.db2.gz ZQWOEHLAACGOGO-QAPCUYQASA-N 1 0 386.500 2.070 20 0 GEADRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000821728053 607261501 /nfs/dbraw/zinc/26/15/01/607261501.db2.gz REEZEQZFVXACNO-UHFFFAOYSA-N 1 0 395.463 2.493 20 0 GEADRO CC[N@H+](C)[C@@H](C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736509515 599245260 /nfs/dbraw/zinc/24/52/60/599245260.db2.gz FCGUBVLJRCPRLC-GOSISDBHSA-N 1 0 380.452 2.055 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3cc(-c4nn[nH]n4)cs3)cc2)C1 ZINC000822858334 607316504 /nfs/dbraw/zinc/31/65/04/607316504.db2.gz AKRSEULPHDZYJE-AWEZNQCLSA-N 1 0 397.508 2.238 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3ccc(-c4nn[nH]n4)cc3)cc2)C1 ZINC000822858841 607316657 /nfs/dbraw/zinc/31/66/57/607316657.db2.gz CUOKOBBHBITUIB-GOSISDBHSA-N 1 0 391.479 2.176 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC)[NH+](C)C ZINC000820892963 599270883 /nfs/dbraw/zinc/27/08/83/599270883.db2.gz HWHMRGCQVVVICT-OAHLLOKOSA-N 1 0 375.477 2.363 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000821601669 599277089 /nfs/dbraw/zinc/27/70/89/599277089.db2.gz UFCPPXOVEAAFDM-UHFFFAOYSA-N 1 0 381.387 2.028 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000820656570 599291242 /nfs/dbraw/zinc/29/12/42/599291242.db2.gz GNTSRHBCJFTBGR-MWLCHTKSSA-N 1 0 383.378 2.490 20 0 GEADRO CCCC[N@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)[C@H](C)CC ZINC000736456870 598233011 /nfs/dbraw/zinc/23/30/11/598233011.db2.gz LZELERVBBMARAG-JLTOFOAXSA-N 1 0 399.499 2.492 20 0 GEADRO OC1CC[NH+](Cc2ccc(CNc3ncc(-c4nn[nH]n4)cc3Cl)cc2)CC1 ZINC000738390197 598244372 /nfs/dbraw/zinc/24/43/72/598244372.db2.gz QFECNSZHIZDGKM-UHFFFAOYSA-N 1 0 399.886 2.484 20 0 GEADRO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737150354 598247773 /nfs/dbraw/zinc/24/77/73/598247773.db2.gz PHLVTSZEJCWFSU-CQSZACIVSA-N 1 0 380.452 2.377 20 0 GEADRO Cc1nnc(N2CCC[N@H+](CCCc3ccccc3)CC2)c(-c2nn[nH]n2)c1C ZINC000737521412 598248643 /nfs/dbraw/zinc/24/86/43/598248643.db2.gz LSLNLXLTWDWKTI-UHFFFAOYSA-N 1 0 392.511 2.418 20 0 GEADRO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735518497 598261488 /nfs/dbraw/zinc/26/14/88/598261488.db2.gz FTVFGLIMOYUPAF-OAHLLOKOSA-N 1 0 384.484 2.111 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000737548300 598288611 /nfs/dbraw/zinc/28/86/11/598288611.db2.gz PMUAHRDWCPEVSZ-OAHLLOKOSA-N 1 0 395.467 2.259 20 0 GEADRO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000738165305 598300944 /nfs/dbraw/zinc/30/09/44/598300944.db2.gz JIKSZFAJYSLGQJ-INIZCTEOSA-N 1 0 381.415 2.402 20 0 GEADRO CC[N@H+](CCNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1)C1CC1 ZINC000736536999 598301451 /nfs/dbraw/zinc/30/14/51/598301451.db2.gz OWSQSVBOLVOZSO-UHFFFAOYSA-N 1 0 396.451 2.253 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000738101502 598318664 /nfs/dbraw/zinc/31/86/64/598318664.db2.gz YQOSIAQICXAZPD-MRXNPFEDSA-N 1 0 399.430 2.235 20 0 GEADRO C[NH+](C)CC1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736765619 598320538 /nfs/dbraw/zinc/32/05/38/598320538.db2.gz YZIYCANXHWPNPC-UHFFFAOYSA-N 1 0 379.921 2.491 20 0 GEADRO Cc1ccc([C@H](CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[NH+](C)C)cc1 ZINC000737321352 598321297 /nfs/dbraw/zinc/32/12/97/598321297.db2.gz UNPSJCYXWXCEFV-SFHVURJKSA-N 1 0 397.458 2.416 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736480343 598326354 /nfs/dbraw/zinc/32/63/54/598326354.db2.gz NMTDFEIWGRDZSS-UHFFFAOYSA-N 1 0 375.452 2.022 20 0 GEADRO CCCC[NH+](CCCC)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736457720 598334376 /nfs/dbraw/zinc/33/43/76/598334376.db2.gz YJXOEPHKFNSQEE-UHFFFAOYSA-N 1 0 399.499 2.491 20 0 GEADRO CC[N@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)C1CCCCC1 ZINC000736556578 598334885 /nfs/dbraw/zinc/33/48/85/598334885.db2.gz ZDVHTTFJVWJWEK-UHFFFAOYSA-N 1 0 397.483 2.243 20 0 GEADRO Cc1ccc(N(C)C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)nn1 ZINC000737346060 598341458 /nfs/dbraw/zinc/34/14/58/598341458.db2.gz CTDAJZYUOJVWSP-UHFFFAOYSA-N 1 0 382.447 2.205 20 0 GEADRO CC(C)Oc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000735916006 598354527 /nfs/dbraw/zinc/35/45/27/598354527.db2.gz YLYVPONJABGEDL-UHFFFAOYSA-N 1 0 379.468 2.371 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000738026546 598358249 /nfs/dbraw/zinc/35/82/49/598358249.db2.gz UCXGKOTUZBVPMR-HNNXBMFYSA-N 1 0 394.435 2.005 20 0 GEADRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736141865 598404585 /nfs/dbraw/zinc/40/45/85/598404585.db2.gz KIWSITPHSRPXSF-IAQYHMDHSA-N 1 0 378.864 2.084 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736765182 598416754 /nfs/dbraw/zinc/41/67/54/598416754.db2.gz VHOFOFUIPYMVCJ-UHFFFAOYSA-N 1 0 387.557 2.293 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)cc1F ZINC000737073801 598453453 /nfs/dbraw/zinc/45/34/53/598453453.db2.gz TVFYEWYBMQZPOI-VIFPVBQESA-N 1 0 376.417 2.365 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000736170555 598454946 /nfs/dbraw/zinc/45/49/46/598454946.db2.gz QOFCSXMSLHEPDY-NVXWUHKLSA-N 1 0 384.484 2.111 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000736170558 598455070 /nfs/dbraw/zinc/45/50/70/598455070.db2.gz QOFCSXMSLHEPDY-RDJZCZTQSA-N 1 0 384.484 2.111 20 0 GEADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)c2ccccc2)CC1 ZINC000736277032 598460090 /nfs/dbraw/zinc/46/00/90/598460090.db2.gz KTCUQLGFCRDTQT-LJQANCHMSA-N 1 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C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736857457 598497196 /nfs/dbraw/zinc/49/71/96/598497196.db2.gz NXSIPCPSNMCJKQ-AWEZNQCLSA-N 1 0 396.451 2.110 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000735889305 598504993 /nfs/dbraw/zinc/50/49/93/598504993.db2.gz YKDZISQBBHWNSX-OCCSQVGLSA-N 1 0 391.907 2.310 20 0 GEADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000735830849 598515779 /nfs/dbraw/zinc/51/57/79/598515779.db2.gz JZRLLNSMZWTHGN-QGZVFWFLSA-N 1 0 385.516 2.376 20 0 GEADRO CC(C)(C)c1ccc(OCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735652137 598518202 /nfs/dbraw/zinc/51/82/02/598518202.db2.gz BLYJJUJXIREYDU-AWEZNQCLSA-N 1 0 396.499 2.071 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)CCCC2 ZINC000736132215 598518421 /nfs/dbraw/zinc/51/84/21/598518421.db2.gz AKLNLRIBAWROBH-ZIAGYGMSSA-N 1 0 378.484 2.335 20 0 GEADRO 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ZINC000736491198 598527284 /nfs/dbraw/zinc/52/72/84/598527284.db2.gz TXKBMGSTSMSHLN-ZIAGYGMSSA-N 1 0 382.472 2.245 20 0 GEADRO Clc1ccc(C2(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCC2)cc1 ZINC000737570722 598529630 /nfs/dbraw/zinc/52/96/30/598529630.db2.gz LLLPUADOCHEKBN-ZDUSSCGKSA-N 1 0 398.902 2.470 20 0 GEADRO C[NH+](C)CCNC(=S)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736769407 598537159 /nfs/dbraw/zinc/53/71/59/598537159.db2.gz RPLHFFRFYVPWIK-UHFFFAOYSA-N 1 0 397.508 2.294 20 0 GEADRO CC[N@H+](CCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)C1CC1 ZINC000736537042 598555678 /nfs/dbraw/zinc/55/56/78/598555678.db2.gz POMGLJDLILSTGB-UHFFFAOYSA-N 1 0 396.451 2.253 20 0 GEADRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736532805 598558465 /nfs/dbraw/zinc/55/84/65/598558465.db2.gz CZHLTCFYPUFXEZ-JTQLQIEISA-N 1 0 383.403 2.320 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000735880939 598559987 /nfs/dbraw/zinc/55/99/87/598559987.db2.gz DLPIJXDEEODAPS-UHFFFAOYSA-N 1 0 381.387 2.026 20 0 GEADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736761571 598569623 /nfs/dbraw/zinc/56/96/23/598569623.db2.gz GXEOIFAWCVKVQH-MRXNPFEDSA-N 1 0 394.504 2.478 20 0 GEADRO Clc1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)nc1-c1nn[nH]n1 ZINC000737572891 598573762 /nfs/dbraw/zinc/57/37/62/598573762.db2.gz BBXJKTCEYMRZHI-UHFFFAOYSA-N 1 0 384.875 2.149 20 0 GEADRO Clc1ccc(N2CC[NH+](CCc3cccs3)CC2)nc1-c1nn[nH]n1 ZINC000737573721 598576593 /nfs/dbraw/zinc/57/65/93/598576593.db2.gz AYGAAHPPNOPQKB-UHFFFAOYSA-N 1 0 375.889 2.341 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1sccc1-c1nn[nH]n1 ZINC000736572043 598590208 /nfs/dbraw/zinc/59/02/08/598590208.db2.gz UPFOZQXTUCJUGH-OAHLLOKOSA-N 1 0 397.508 2.450 20 0 GEADRO CCCC[N@H+](CCOC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736456830 598594900 /nfs/dbraw/zinc/59/49/00/598594900.db2.gz LNBNBUJTQFXJQZ-UHFFFAOYSA-N 1 0 392.529 2.494 20 0 GEADRO C[N@H+](CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736801125 598596369 /nfs/dbraw/zinc/59/63/69/598596369.db2.gz RTYCBSMZYJZPNH-IBGZPJMESA-N 1 0 397.527 2.216 20 0 GEADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000738162136 598598262 /nfs/dbraw/zinc/59/82/62/598598262.db2.gz JCRJWJIYVPWQLG-CQSZACIVSA-N 1 0 381.415 2.252 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736268363 598604069 /nfs/dbraw/zinc/60/40/69/598604069.db2.gz SZNOWNYHGUXAMT-LPHOPBHVSA-N 1 0 397.527 2.216 20 0 GEADRO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738067018 598605184 /nfs/dbraw/zinc/60/51/84/598605184.db2.gz YEWLYMUYDKCOMW-IBGZPJMESA-N 1 0 397.527 2.218 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736530574 598617032 /nfs/dbraw/zinc/61/70/32/598617032.db2.gz KIQVFBDWYLYJLQ-UHFFFAOYSA-N 1 0 394.479 2.404 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)nc2)C1 ZINC000736756762 598623417 /nfs/dbraw/zinc/62/34/17/598623417.db2.gz LHWNZIJHADFDJE-OAHLLOKOSA-N 1 0 394.439 2.222 20 0 GEADRO COc1cccc([C@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)[NH+](C)C)c1 ZINC000737128242 598625063 /nfs/dbraw/zinc/62/50/63/598625063.db2.gz UPKFNHFHPYYBPF-KRWDZBQOSA-N 1 0 399.430 2.439 20 0 GEADRO Fc1ccc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c(-c2nn[nH]n2)c1 ZINC000737661649 598632277 /nfs/dbraw/zinc/63/22/77/598632277.db2.gz ZVCBUHYFSBYFNI-UHFFFAOYSA-N 1 0 380.427 2.263 20 0 GEADRO C[C@@H](CNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)[NH+]1CCCCC1 ZINC000736009053 598684546 /nfs/dbraw/zinc/68/45/46/598684546.db2.gz VTHKOEQHHZWTBL-INIZCTEOSA-N 1 0 386.500 2.406 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000737833638 598685602 /nfs/dbraw/zinc/68/56/02/598685602.db2.gz ZBLACTRMHXTEBK-SJORKVTESA-N 1 0 384.484 2.159 20 0 GEADRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738312537 598714784 /nfs/dbraw/zinc/71/47/84/598714784.db2.gz ATXOGEDBIGIKSP-UHFFFAOYSA-N 1 0 376.420 2.033 20 0 GEADRO COCCCCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000736979305 598716104 /nfs/dbraw/zinc/71/61/04/598716104.db2.gz QRQUFCCCYJAPFC-UHFFFAOYSA-N 1 0 381.484 2.354 20 0 GEADRO Cc1nnc(N2CCN(c3cc[nH+]c4ccccc43)CC2)c(-c2nn[nH]n2)c1C ZINC000737520039 598747124 /nfs/dbraw/zinc/74/71/24/598747124.db2.gz GWJZBLJLQSMOLK-UHFFFAOYSA-N 1 0 387.451 2.148 20 0 GEADRO Clc1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000737576474 598747732 /nfs/dbraw/zinc/74/77/32/598747732.db2.gz RLCCMQQVHNBWCU-UHFFFAOYSA-N 1 0 376.892 2.459 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000736637901 598760423 /nfs/dbraw/zinc/76/04/23/598760423.db2.gz UOOSKQCOOQZOHG-CVEARBPZSA-N 1 0 385.472 2.356 20 0 GEADRO O[C@@H](Cc1ccccc1)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738389738 598765831 /nfs/dbraw/zinc/76/58/31/598765831.db2.gz ZRZNEKMIVGUTNJ-SFHVURJKSA-N 1 0 379.464 2.314 20 0 GEADRO O[C@H](COc1ccccc1)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738389707 598767784 /nfs/dbraw/zinc/76/77/84/598767784.db2.gz ZCGFHSWYIVEHSU-KRWDZBQOSA-N 1 0 395.463 2.150 20 0 GEADRO C[NH+]1CCN(c2ccc(CNc3ccc(Cl)cc3-c3nn[nH]n3)cn2)CC1 ZINC000736869261 598792064 /nfs/dbraw/zinc/79/20/64/598792064.db2.gz ZXABEWGJYKAWDA-UHFFFAOYSA-N 1 0 384.875 2.279 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC(C[NH+](C)C)CC1 ZINC000735550242 598809369 /nfs/dbraw/zinc/80/93/69/598809369.db2.gz GVDQYMMWNOGXPY-LBPRGKRZSA-N 1 0 391.907 2.121 20 0 GEADRO Cc1cnn(CCCCC[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737447848 598812979 /nfs/dbraw/zinc/81/29/79/598812979.db2.gz FYRLSALVWYTHPD-UHFFFAOYSA-N 1 0 394.527 2.360 20 0 GEADRO CC[N@H+](CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[nH]n1)C(C)C ZINC000736537293 598813323 /nfs/dbraw/zinc/81/33/23/598813323.db2.gz LIYYJQLIXRZYFG-UHFFFAOYSA-N 1 0 391.545 2.126 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821266508 607367686 /nfs/dbraw/zinc/36/76/86/607367686.db2.gz FEUJFWVQAZGWFW-CQSZACIVSA-N 1 0 389.529 2.425 20 0 GEADRO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)ncn1 ZINC000736887242 599317445 /nfs/dbraw/zinc/31/74/45/599317445.db2.gz LURVPECSPODHID-CJNGLKHVSA-N 1 0 379.472 2.018 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C[C@H]1C ZINC000821255381 599345048 /nfs/dbraw/zinc/34/50/48/599345048.db2.gz ZGPZKCXYKVHSHW-YPMHNXCESA-N 1 0 398.920 2.013 20 0 GEADRO O=C(c1ccc(Cl)cn1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738257554 599383573 /nfs/dbraw/zinc/38/35/73/599383573.db2.gz HINDQWNHQCYLCH-UHFFFAOYSA-N 1 0 397.870 2.263 20 0 GEADRO C[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccc(Cl)cc1 ZINC000820275428 599386099 /nfs/dbraw/zinc/38/60/99/599386099.db2.gz QTEQTSKBGNWXPV-ZBEGNZNMSA-N 1 0 386.843 2.104 20 0 GEADRO C[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccc(Cl)cc1 ZINC000820275425 599386314 /nfs/dbraw/zinc/38/63/14/599386314.db2.gz QTEQTSKBGNWXPV-BDJLRTHQSA-N 1 0 386.843 2.104 20 0 GEADRO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821868100 599389182 /nfs/dbraw/zinc/38/91/82/599389182.db2.gz OEHCVCVYVFYOEK-UONOGXRCSA-N 1 0 380.452 2.231 20 0 GEADRO COc1ccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821805258 599414718 /nfs/dbraw/zinc/41/47/18/599414718.db2.gz SFALHQUJDCUQQZ-QGZVFWFLSA-N 1 0 380.452 2.185 20 0 GEADRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1-c1nn[nH]n1 ZINC000821803142 599425670 /nfs/dbraw/zinc/42/56/70/599425670.db2.gz CKAVSVGGXFKPKX-GFCCVEGCSA-N 1 0 378.436 2.245 20 0 GEADRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000821808585 599430657 /nfs/dbraw/zinc/43/06/57/599430657.db2.gz IWFNRNQKCBEFKS-LBPRGKRZSA-N 1 0 376.461 2.268 20 0 GEADRO Fc1ccc(-n2cc(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)cn2)cc1 ZINC000822761545 599452869 /nfs/dbraw/zinc/45/28/69/599452869.db2.gz ORTVAWJKNBPRJV-UHFFFAOYSA-N 1 0 379.399 2.360 20 0 GEADRO O=C(NCCC(F)(F)F)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823181905 599472200 /nfs/dbraw/zinc/47/22/00/599472200.db2.gz FOJSZIPKAPIQFN-UHFFFAOYSA-N 1 0 397.405 2.036 20 0 GEADRO O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737875343 599478285 /nfs/dbraw/zinc/47/82/85/599478285.db2.gz JRFMFMWKDCRGOP-QGZVFWFLSA-N 1 0 394.454 2.187 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNc3ccc(F)cc3-c3nn[nH]n3)cn2)CC1 ZINC000821277772 599479706 /nfs/dbraw/zinc/47/97/06/599479706.db2.gz YAGNYBBABDFGHP-UHFFFAOYSA-N 1 0 382.447 2.155 20 0 GEADRO CCN(CC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccc(C)c1 ZINC000736536121 599482354 /nfs/dbraw/zinc/48/23/54/599482354.db2.gz DDZQEBPMOMBXPW-UHFFFAOYSA-N 1 0 376.468 2.439 20 0 GEADRO CCC(=O)Nc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736309495 599484320 /nfs/dbraw/zinc/48/43/20/599484320.db2.gz PIFZLJFVKCIDDD-UHFFFAOYSA-N 1 0 376.424 2.153 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000738432563 599485611 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ZINC000820993940 606906859 /nfs/dbraw/zinc/90/68/59/606906859.db2.gz CGJISJLVSNMYDQ-ROUUACIJSA-N 1 0 386.500 2.357 20 0 GEADRO CN(C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821595044 606908254 /nfs/dbraw/zinc/90/82/54/606908254.db2.gz KZICUOYAYQKTOU-SFTDATJTSA-N 1 0 392.507 2.497 20 0 GEADRO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820020398 606908755 /nfs/dbraw/zinc/90/87/55/606908755.db2.gz FTPPGUZIQFRTNL-PMACEKPBSA-N 1 0 381.480 2.419 20 0 GEADRO FC(F)(F)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723982 606910580 /nfs/dbraw/zinc/91/05/80/606910580.db2.gz VJMJPGTVWABBOZ-CYBMUJFWSA-N 1 0 382.390 2.187 20 0 GEADRO C[NH+](C)CCOC1CCN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000821587040 606935802 /nfs/dbraw/zinc/93/58/02/606935802.db2.gz CYLHGRORYHMLRX-UHFFFAOYSA-N 1 0 384.406 2.433 20 0 GEADRO CCc1nnc(NC2CC[NH+](CCOC(C)C)CC2)c(-c2nn[nH]n2)c1CC ZINC000821527983 606941467 /nfs/dbraw/zinc/94/14/67/606941467.db2.gz JAQISSAHRUINHM-UHFFFAOYSA-N 1 0 388.520 2.083 20 0 GEADRO Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)nn1 ZINC000822241480 606970295 /nfs/dbraw/zinc/97/02/95/606970295.db2.gz XVKROMIASZIYHK-HNNXBMFYSA-N 1 0 382.447 2.205 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819940170 606975867 /nfs/dbraw/zinc/97/58/67/606975867.db2.gz QYGNJBNUMDCAIF-ZDUSSCGKSA-N 1 0 376.436 2.495 20 0 GEADRO O=C(CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964149 606985424 /nfs/dbraw/zinc/98/54/24/606985424.db2.gz FAMJFUPRPFJWMC-IRXDYDNUSA-N 1 0 396.451 2.376 20 0 GEADRO CCC1(CC)[C@H]([NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C[C@@H]1OC ZINC000820955993 606987131 /nfs/dbraw/zinc/98/71/31/606987131.db2.gz GQQAZPNDDIVOJK-MCIONIFRSA-N 1 0 390.513 2.217 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820709004 607000978 /nfs/dbraw/zinc/00/09/78/607000978.db2.gz BQZLFCJXNHMKEH-GJZGRUSLSA-N 1 0 386.500 2.261 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000822505280 607003021 /nfs/dbraw/zinc/00/30/21/607003021.db2.gz GJWQEADDDHWWBE-UHFFFAOYSA-N 1 0 380.456 2.036 20 0 GEADRO O[C@@]12CCCC[C@@H]1C[N@H+](Cn1ccc(-c3ccc(-c4nn[nH]n4)cc3)n1)CC2 ZINC000823697147 607003319 /nfs/dbraw/zinc/00/33/19/607003319.db2.gz JTRYAGDVMIYUCB-YLJYHZDGSA-N 1 0 379.468 2.315 20 0 GEADRO OC[C@H]1C=C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000823727195 607008765 /nfs/dbraw/zinc/00/87/65/607008765.db2.gz SZNDVUNDOCWOQL-FUHWJXTLSA-N 1 0 377.448 2.472 20 0 GEADRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1ccncc1 ZINC000820220388 607018289 /nfs/dbraw/zinc/01/82/89/607018289.db2.gz SWLKDQYQKZIEFQ-INIZCTEOSA-N 1 0 393.495 2.346 20 0 GEADRO CC(C)C[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820067324 607022847 /nfs/dbraw/zinc/02/28/47/607022847.db2.gz ICNIHYOLGSUCIV-YOEHRIQHSA-N 1 0 382.468 2.257 20 0 GEADRO COc1ccc2c(c1)[nH+]ccc2N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000821849771 607024976 /nfs/dbraw/zinc/02/49/76/607024976.db2.gz PZPBOFGNUFECKD-UHFFFAOYSA-N 1 0 388.435 2.145 20 0 GEADRO CC(C)n1cc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cn1 ZINC000820420479 607047624 /nfs/dbraw/zinc/04/76/24/607047624.db2.gz RPVZSRUWJBOBGN-AWEZNQCLSA-N 1 0 381.488 2.359 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821599071 607048344 /nfs/dbraw/zinc/04/83/44/607048344.db2.gz DYPXPKJAEOPTDR-MRXNPFEDSA-N 1 0 386.500 2.357 20 0 GEADRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820758939 607059020 /nfs/dbraw/zinc/05/90/20/607059020.db2.gz GBENYTRQMXBDCV-AUUYWEPGSA-N 1 0 381.459 2.401 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819940401 607069061 /nfs/dbraw/zinc/06/90/61/607069061.db2.gz ZZYQNPVRMPRPNF-AWEZNQCLSA-N 1 0 376.436 2.495 20 0 GEADRO c1cc2nsnc2c(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823752389 607069777 /nfs/dbraw/zinc/06/97/77/607069777.db2.gz ZTTIQLIVKAQEAS-UHFFFAOYSA-N 1 0 392.492 2.189 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821637800 607088728 /nfs/dbraw/zinc/08/87/28/607088728.db2.gz UOPHIBJBXSDLMS-QWHCGFSZSA-N 1 0 386.481 2.187 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000821702477 607092408 /nfs/dbraw/zinc/09/24/08/607092408.db2.gz VGFZIOPWXYMZLQ-INIZCTEOSA-N 1 0 383.456 2.133 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000821702222 607103042 /nfs/dbraw/zinc/10/30/42/607103042.db2.gz LWVLTUZTULOENE-UHFFFAOYSA-N 1 0 396.451 2.261 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000823249856 607103821 /nfs/dbraw/zinc/10/38/21/607103821.db2.gz MNLDFJPALZQCFL-UHFFFAOYSA-N 1 0 387.463 2.166 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000823690696 607178071 /nfs/dbraw/zinc/17/80/71/607178071.db2.gz RWZCQRHBQLGBBP-OALUTQOASA-N 1 0 394.479 2.183 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)c(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)n1 ZINC000822215319 607226833 /nfs/dbraw/zinc/22/68/33/607226833.db2.gz VRXKGIZEFHDTJI-UHFFFAOYSA-N 1 0 399.886 2.425 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1cccc(F)c1 ZINC000821580034 607231193 /nfs/dbraw/zinc/23/11/93/607231193.db2.gz WYDCDWZYAIDJAK-CQSZACIVSA-N 1 0 389.822 2.087 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1cccs1 ZINC000821579568 607231388 /nfs/dbraw/zinc/23/13/88/607231388.db2.gz GTUNPSWDBJSIEC-LLVKDONJSA-N 1 0 377.861 2.009 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000822535583 607251400 /nfs/dbraw/zinc/25/14/00/607251400.db2.gz XJWQBZCBEQBGHC-CABCVRRESA-N 1 0 395.467 2.115 20 0 GEADRO C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000824874446 607795274 /nfs/dbraw/zinc/79/52/74/607795274.db2.gz CXACIIKGBBQOQR-GOEBONIOSA-N 1 0 379.468 2.225 20 0 GEADRO C[C@@H](CCc1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824406591 607813858 /nfs/dbraw/zinc/81/38/58/607813858.db2.gz NMNCOBBKESEFPD-HNNXBMFYSA-N 1 0 385.493 2.251 20 0 GEADRO CC[N@@H+]1CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[nH]n2)C[C@H]1C ZINC000825460502 607825955 /nfs/dbraw/zinc/82/59/55/607825955.db2.gz ZCQCAQWEFJFMFR-LLVKDONJSA-N 1 0 387.513 2.027 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H]1COc2ccccc21 ZINC000824531691 607843545 /nfs/dbraw/zinc/84/35/45/607843545.db2.gz QMTVUCUBLNJAPX-WWGRRREGSA-N 1 0 378.436 2.348 20 0 GEADRO CCOc1cc(-c2nn[nH]n2)ccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000825610211 607871676 /nfs/dbraw/zinc/87/16/76/607871676.db2.gz YZAORZMNNNJJKI-SFHVURJKSA-N 1 0 395.463 2.063 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824491438 607911648 /nfs/dbraw/zinc/91/16/48/607911648.db2.gz UUAHOONQHUNZAO-KDOFPFPSSA-N 1 0 383.500 2.301 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826175920 607942911 /nfs/dbraw/zinc/94/29/11/607942911.db2.gz VCSSXFCMCVNFFH-SJORKVTESA-N 1 0 399.426 2.201 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000825000026 607963851 /nfs/dbraw/zinc/96/38/51/607963851.db2.gz MTPWVLZIFQYAEZ-ONGXEEELSA-N 1 0 381.267 2.482 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2ccc(Cl)s2)c1-c1nn[nH]n1 ZINC000826073434 608019411 /nfs/dbraw/zinc/01/94/11/608019411.db2.gz RPNFTEDDBNBZIP-MRVPVSSYSA-N 1 0 394.892 2.199 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C(C)(C)C)cc2)c1-c1nn[nH]n1 ZINC000826077331 608021946 /nfs/dbraw/zinc/02/19/46/608021946.db2.gz DIXUHBHUGJRQKO-UHFFFAOYSA-N 1 0 396.499 2.221 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3sccc3c2)c1-c1nn[nH]n1 ZINC000826083009 608023098 /nfs/dbraw/zinc/02/30/98/608023098.db2.gz DZACNLOQKQIFPK-UHFFFAOYSA-N 1 0 382.453 2.209 20 0 GEADRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc[nH]1 ZINC000824487723 608023787 /nfs/dbraw/zinc/02/37/87/608023787.db2.gz CETPQHGBBGNEBU-HNNXBMFYSA-N 1 0 394.483 2.173 20 0 GEADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(C(F)(F)F)cc1 ZINC000825935202 608034765 /nfs/dbraw/zinc/03/47/65/608034765.db2.gz WTCDCRPGKJRIDS-UHFFFAOYSA-N 1 0 380.378 2.255 20 0 GEADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCc1c(F)cccc1Cl ZINC000825934241 608034866 /nfs/dbraw/zinc/03/48/66/608034866.db2.gz LDQQZWIQXOMTHO-UHFFFAOYSA-N 1 0 378.843 2.072 20 0 GEADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1coc(-c2cccc(F)c2)n1 ZINC000825934343 608037002 /nfs/dbraw/zinc/03/70/02/608037002.db2.gz NOWXAADIZIAJHY-UHFFFAOYSA-N 1 0 397.418 2.031 20 0 GEADRO CCc1ncnc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000825754867 608077196 /nfs/dbraw/zinc/07/71/96/608077196.db2.gz ITCGSPRKAQPWRY-UHFFFAOYSA-N 1 0 382.447 2.071 20 0 GEADRO C[NH+](C)CCOc1cc(CNc2nc3ccccc3cc2-c2nn[nH]n2)ccn1 ZINC000825870467 608100478 /nfs/dbraw/zinc/10/04/78/608100478.db2.gz NKJUGGYPUGLVRU-UHFFFAOYSA-N 1 0 390.451 2.362 20 0 GEADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824393838 608112922 /nfs/dbraw/zinc/11/29/22/608112922.db2.gz UOFDXVQPBKUPDN-SJKOYZFVSA-N 1 0 381.415 2.255 20 0 GEADRO O=C(CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407144 608128879 /nfs/dbraw/zinc/12/88/79/608128879.db2.gz CJDQZSZHWYYHAH-GOSISDBHSA-N 1 0 396.426 2.488 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C[C@@H]21 ZINC000824109021 608129686 /nfs/dbraw/zinc/12/96/86/608129686.db2.gz MGXLTKSXOIYMRK-OWCLPIDISA-N 1 0 399.499 2.387 20 0 GEADRO CC[N@H+](CCOC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC000825425077 608155052 /nfs/dbraw/zinc/15/50/52/608155052.db2.gz ZUIDVLOQLUSTFH-LBPRGKRZSA-N 1 0 392.529 2.350 20 0 GEADRO CC[NH+](CC)Cc1cccc(NC(=O)CNc2ccc(-c3nn[nH]n3)cn2)c1 ZINC000825417749 608219088 /nfs/dbraw/zinc/21/90/88/608219088.db2.gz UKUJXIDMFLNPDL-UHFFFAOYSA-N 1 0 380.456 2.154 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000825444191 608256062 /nfs/dbraw/zinc/25/60/62/608256062.db2.gz JVRKPSXVRJQPPI-OLZOCXBDSA-N 1 0 391.907 2.263 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000826183166 608259132 /nfs/dbraw/zinc/25/91/32/608259132.db2.gz GYSLNIJLRHUVLF-OAHLLOKOSA-N 1 0 382.472 2.427 20 0 GEADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826209563 608282969 /nfs/dbraw/zinc/28/29/69/608282969.db2.gz HUYRWIKBFKERRA-CQSZACIVSA-N 1 0 396.451 2.261 20 0 GEADRO Cc1cc2ncc([C@H](C)[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)c(C)n2n1 ZINC000826273028 608283197 /nfs/dbraw/zinc/28/31/97/608283197.db2.gz MGQPRKVBXIRGBG-ZDUSSCGKSA-N 1 0 378.440 2.256 20 0 GEADRO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826163766 608309246 /nfs/dbraw/zinc/30/92/46/608309246.db2.gz KGSIAIAAYZIGGK-UHFFFAOYSA-N 1 0 385.424 2.156 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825411907 608314223 /nfs/dbraw/zinc/31/42/23/608314223.db2.gz HHIBMOPQAUEFFA-QGZVFWFLSA-N 1 0 380.500 2.277 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826176038 608323657 /nfs/dbraw/zinc/32/36/57/608323657.db2.gz YIKVQPXNOKSBRJ-CVEARBPZSA-N 1 0 387.484 2.393 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000826168201 608357267 /nfs/dbraw/zinc/35/72/67/608357267.db2.gz FQTCCJPRRBKMGW-CQSZACIVSA-N 1 0 386.500 2.248 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000826168469 608368714 /nfs/dbraw/zinc/36/87/14/608368714.db2.gz NXCHBQUBHUXTPI-GOSISDBHSA-N 1 0 387.484 2.425 20 0 GEADRO CCC[C@@H]1CN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000825259623 608375867 /nfs/dbraw/zinc/37/58/67/608375867.db2.gz JWZMGFAPDURICC-GOSISDBHSA-N 1 0 388.516 2.068 20 0 GEADRO Cc1oc(NC(=O)CN2CCC(CCC[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000826341966 608378694 /nfs/dbraw/zinc/37/86/94/608378694.db2.gz UVLYUHBTMYOCIW-UHFFFAOYSA-N 1 0 389.504 2.069 20 0 GEADRO CS[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)C[C@H]1[NH+](C)C ZINC000826226984 608382485 /nfs/dbraw/zinc/38/24/85/608382485.db2.gz JOKBVNBKWSZFBZ-OLZOCXBDSA-N 1 0 391.451 2.175 20 0 GEADRO CS[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)C[C@@H]1[NH+](C)C ZINC000826227476 608382547 /nfs/dbraw/zinc/38/25/47/608382547.db2.gz RIWMYODIBFQDID-UONOGXRCSA-N 1 0 391.451 2.175 20 0 GEADRO CC1CCN(C(=O)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)CC1 ZINC000824947661 608386118 /nfs/dbraw/zinc/38/61/18/608386118.db2.gz PSGRHICYAJYXLZ-UHFFFAOYSA-N 1 0 386.475 2.476 20 0 GEADRO C[C@]1(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CCCc2ccccc21 ZINC000824823818 608390027 /nfs/dbraw/zinc/39/00/27/608390027.db2.gz PFDFYFNANLXMRL-GHTZIAJQSA-N 1 0 376.464 2.277 20 0 GEADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000826495050 608417794 /nfs/dbraw/zinc/41/77/94/608417794.db2.gz ASEYZCUNFDIWMG-INIZCTEOSA-N 1 0 396.476 2.040 20 0 GEADRO CC[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(OC)cc1 ZINC000825141802 608428099 /nfs/dbraw/zinc/42/80/99/608428099.db2.gz PTPSTJQPURSXFE-SFHVURJKSA-N 1 0 380.452 2.232 20 0 GEADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)c2)CC1 ZINC000824301361 608449484 /nfs/dbraw/zinc/44/94/84/608449484.db2.gz VONHWFABWYXYDI-UHFFFAOYSA-N 1 0 392.467 2.044 20 0 GEADRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826208903 608460121 /nfs/dbraw/zinc/46/01/21/608460121.db2.gz FKMJEDDCUNBBRC-IUODEOHRSA-N 1 0 387.415 2.105 20 0 GEADRO O[C@@H](COCc1ccco1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826504232 608460887 /nfs/dbraw/zinc/46/08/87/608460887.db2.gz QILJOLUEYWIBGQ-GOSISDBHSA-N 1 0 381.436 2.127 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564471 608465063 /nfs/dbraw/zinc/46/50/63/608465063.db2.gz UGAJOCYQSHVCQF-SNVBAGLBSA-N 1 0 386.485 2.305 20 0 GEADRO CC[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000825141288 608470868 /nfs/dbraw/zinc/47/08/68/608470868.db2.gz NJEDOIZWXMJPTQ-INIZCTEOSA-N 1 0 394.435 2.317 20 0 GEADRO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825603783 608487451 /nfs/dbraw/zinc/48/74/51/608487451.db2.gz CDIYSEOVRVRMRQ-HNNXBMFYSA-N 1 0 394.479 2.370 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824585467 608488208 /nfs/dbraw/zinc/48/82/08/608488208.db2.gz QQFWLJBIHGMHHN-OXJNMPFZSA-N 1 0 378.480 2.418 20 0 GEADRO COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826220415 608491556 /nfs/dbraw/zinc/49/15/56/608491556.db2.gz MXKCANVRGCWFDY-RDTXWAMCSA-N 1 0 383.452 2.104 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824529349 608491877 /nfs/dbraw/zinc/49/18/77/608491877.db2.gz GKEHSLZQENSQJC-CABCVRRESA-N 1 0 376.464 2.491 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCCCOc1ccccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000824563466 608493393 /nfs/dbraw/zinc/49/33/93/608493393.db2.gz OYVFHFHTTAOVPA-CQSZACIVSA-N 1 0 398.442 2.242 20 0 GEADRO O=C(NCCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc(O)c1 ZINC000826437079 608507560 /nfs/dbraw/zinc/50/75/60/608507560.db2.gz VKAPYVBGGLNZFY-IBGZPJMESA-N 1 0 392.463 2.359 20 0 GEADRO CN(Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825991904 608515024 /nfs/dbraw/zinc/51/50/24/608515024.db2.gz LHZQKOZDTHMIJY-GOSISDBHSA-N 1 0 388.479 2.221 20 0 GEADRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412142 608524771 /nfs/dbraw/zinc/52/47/71/608524771.db2.gz CUZIDQVHGOKFJX-UHFFFAOYSA-N 1 0 382.855 2.415 20 0 GEADRO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826104595 608525360 /nfs/dbraw/zinc/52/53/60/608525360.db2.gz ZWYNQYDZDPDIBW-CQSZACIVSA-N 1 0 381.436 2.439 20 0 GEADRO COc1ccc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1OC ZINC000826209990 608533911 /nfs/dbraw/zinc/53/39/11/608533911.db2.gz ZRKPKGNVYMSJNP-UHFFFAOYSA-N 1 0 394.435 2.101 20 0 GEADRO CC(C)([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000824166737 608534888 /nfs/dbraw/zinc/53/48/88/608534888.db2.gz JRTDWPCJPNFSTR-UHFFFAOYSA-N 1 0 389.456 2.304 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000826133555 608545611 /nfs/dbraw/zinc/54/56/11/608545611.db2.gz NHQPFMAKTKEZKO-GOSISDBHSA-N 1 0 393.447 2.441 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cccn2)cc1 ZINC000824563684 608550324 /nfs/dbraw/zinc/55/03/24/608550324.db2.gz PGUQLCBWXRPZHR-CQSZACIVSA-N 1 0 388.435 2.342 20 0 GEADRO COC[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000826150697 608552046 /nfs/dbraw/zinc/55/20/46/608552046.db2.gz JWMXZCYWNOMYDV-IAGOWNOFSA-N 1 0 375.379 2.156 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000826169738 608560790 /nfs/dbraw/zinc/56/07/90/608560790.db2.gz CBQNMZPKUHKDAL-ZDUSSCGKSA-N 1 0 376.424 2.307 20 0 GEADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000826422304 608561196 /nfs/dbraw/zinc/56/11/96/608561196.db2.gz UDCLABIUNSMVLZ-UHFFFAOYSA-N 1 0 392.463 2.005 20 0 GEADRO CCCC[N@H+](CCCO)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825285506 608562880 /nfs/dbraw/zinc/56/28/80/608562880.db2.gz YWVSKIMWNFPLMD-UHFFFAOYSA-N 1 0 380.880 2.333 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825492137 608579611 /nfs/dbraw/zinc/57/96/11/608579611.db2.gz DNUXKSMNLQBENF-UONOGXRCSA-N 1 0 395.410 2.202 20 0 GEADRO COc1ccc([C@@H](C)C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000826187937 608581150 /nfs/dbraw/zinc/58/11/50/608581150.db2.gz IZDQDRAJDLYANA-HNNXBMFYSA-N 1 0 379.468 2.196 20 0 GEADRO CN(C)c1ncc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000825883411 608603301 /nfs/dbraw/zinc/60/33/01/608603301.db2.gz GRTZSSUBNVIYHQ-UHFFFAOYSA-N 1 0 385.497 2.433 20 0 GEADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CNc3ccc(-c4nn[nH]n4)cn3)c2C1 ZINC000824262321 608621726 /nfs/dbraw/zinc/62/17/26/608621726.db2.gz ZMRCBWQOEOJEDR-UHFFFAOYSA-N 1 0 392.467 2.284 20 0 GEADRO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)n1 ZINC000826265335 608687905 /nfs/dbraw/zinc/68/79/05/608687905.db2.gz VMKNPNBAOJTDIX-KRWDZBQOSA-N 1 0 391.483 2.382 20 0 GEADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000825961570 608688754 /nfs/dbraw/zinc/68/87/54/608688754.db2.gz JBDRKUGYCNRLGM-AWEZNQCLSA-N 1 0 390.538 2.495 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825980665 608729581 /nfs/dbraw/zinc/72/95/81/608729581.db2.gz FPUWIPWQUQKDRN-GOSISDBHSA-N 1 0 388.479 2.221 20 0 GEADRO Fc1ccc(OCC[NH+]2CCC(Nc3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826376111 608791751 /nfs/dbraw/zinc/79/17/51/608791751.db2.gz PBCQQGRLRSOSRJ-UHFFFAOYSA-N 1 0 383.431 2.356 20 0 GEADRO CC[C@@H](C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C)c1ccccc1 ZINC000825121850 608834171 /nfs/dbraw/zinc/83/41/71/608834171.db2.gz VZDNIBVCGWNPIM-HOTGVXAUSA-N 1 0 378.484 2.361 20 0 GEADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1C1CC1 ZINC000824998959 608837732 /nfs/dbraw/zinc/83/77/32/608837732.db2.gz AZWFZSPXABWRND-CQSZACIVSA-N 1 0 376.468 2.245 20 0 GEADRO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4-c4nn[nH]n4)CC3)C2)cc1 ZINC000826521752 608873029 /nfs/dbraw/zinc/87/30/29/608873029.db2.gz XQBVARUEYIDVCF-LJQANCHMSA-N 1 0 389.507 2.263 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824571743 609141338 /nfs/dbraw/zinc/14/13/38/609141338.db2.gz ROMXLDNSTGSROM-JQWIXIFHSA-N 1 0 393.369 2.375 20 0 GEADRO C[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577003 609146039 /nfs/dbraw/zinc/14/60/39/609146039.db2.gz FTLOJYYSSDHRFI-VFNWGFHPSA-N 1 0 396.470 2.293 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000446405711 649979568 /nfs/dbraw/zinc/97/95/68/649979568.db2.gz MCBAAQBQHUJMPZ-ZJUUUORDSA-N 1 0 384.221 2.167 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(CO)c1 ZINC000824547466 609169072 /nfs/dbraw/zinc/16/90/72/609169072.db2.gz OPASWIOQLKMUEL-KUHUBIRLSA-N 1 0 392.463 2.205 20 0 GEADRO CC1CC[NH+]([C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c2ccccc2)CC1 ZINC000824953596 609200976 /nfs/dbraw/zinc/20/09/76/609200976.db2.gz GIZIRSQONZIOOU-SFHVURJKSA-N 1 0 379.468 2.398 20 0 GEADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC000825980490 609207065 /nfs/dbraw/zinc/20/70/65/609207065.db2.gz BJDBNSWISSFXCR-UHFFFAOYSA-N 1 0 379.468 2.179 20 0 GEADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825416111 609219719 /nfs/dbraw/zinc/21/97/19/609219719.db2.gz HMZYYVXFHMTAKH-INIZCTEOSA-N 1 0 379.468 2.179 20 0 GEADRO O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826398573 609223228 /nfs/dbraw/zinc/22/32/28/609223228.db2.gz ZMXOVZRLNNMGKM-APWZRJJASA-N 1 0 398.511 2.015 20 0 GEADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000824985340 609224846 /nfs/dbraw/zinc/22/48/46/609224846.db2.gz VRNGDJSHZMTJMN-UOIKSKOESA-N 1 0 379.468 2.081 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824936017 609231037 /nfs/dbraw/zinc/23/10/37/609231037.db2.gz DMNDCHOPMNYCNA-GJYPPUQNSA-N 1 0 398.511 2.013 20 0 GEADRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824662590 609246798 /nfs/dbraw/zinc/24/67/98/609246798.db2.gz NRCFVOAIMNZHSN-AUUYWEPGSA-N 1 0 391.479 2.490 20 0 GEADRO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825953936 609283189 /nfs/dbraw/zinc/28/31/89/609283189.db2.gz SCFZTAPTQOZTPJ-CYBMUJFWSA-N 1 0 393.369 2.156 20 0 GEADRO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(-c2nn[nH]n2)c1C ZINC000826349309 609284216 /nfs/dbraw/zinc/28/42/16/609284216.db2.gz DDWHISRHMPDTRF-CQSZACIVSA-N 1 0 390.513 2.375 20 0 GEADRO C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC000824045010 609291910 /nfs/dbraw/zinc/29/19/10/609291910.db2.gz CYDCVQOCGDGKTC-ZDUSSCGKSA-N 1 0 398.446 2.395 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000825328732 609313063 /nfs/dbraw/zinc/31/30/63/609313063.db2.gz WQPPLQIWBSCXLH-AWEZNQCLSA-N 1 0 384.419 2.004 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccc(C)nc2N2CCCC2)cc1-c1nn[nH]n1 ZINC000826202663 609319377 /nfs/dbraw/zinc/31/93/77/609319377.db2.gz HUZQJHZYCQYCCP-UHFFFAOYSA-N 1 0 379.468 2.469 20 0 GEADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826211105 609325606 /nfs/dbraw/zinc/32/56/06/609325606.db2.gz PIPMPJBLUMADQQ-PIGZYNQJSA-N 1 0 387.415 2.407 20 0 GEADRO CC1CC[NH+](CCCNCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824956142 609335669 /nfs/dbraw/zinc/33/56/69/609335669.db2.gz QKRRNBQRARPREL-UHFFFAOYSA-N 1 0 394.527 2.479 20 0 GEADRO C[C@@H]1CCCN(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824946720 609336544 /nfs/dbraw/zinc/33/65/44/609336544.db2.gz JZWNOCSQXOLJQA-OAHLLOKOSA-N 1 0 380.500 2.089 20 0 GEADRO Cn1cc(C[NH2+]CCc2cn3ccccc3n2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361851 609337755 /nfs/dbraw/zinc/33/77/55/609337755.db2.gz RWBRVXTYRYHBOI-UHFFFAOYSA-N 1 0 399.462 2.247 20 0 GEADRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624959 609338662 /nfs/dbraw/zinc/33/86/62/609338662.db2.gz CVXLTYFDGJWWJX-GFCCVEGCSA-N 1 0 389.456 2.401 20 0 GEADRO Cc1cc(C[C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)[nH]n1 ZINC000826266409 609342758 /nfs/dbraw/zinc/34/27/58/609342758.db2.gz NWEBSHNFXOJQBA-LBPRGKRZSA-N 1 0 377.456 2.020 20 0 GEADRO CN(Cc1ccc(-c2nn[nH]n2)cc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000825962322 609361625 /nfs/dbraw/zinc/36/16/25/609361625.db2.gz WQLBXLQVCYJXNR-CQSZACIVSA-N 1 0 377.290 2.298 20 0 GEADRO C[C@@H]1CC[C@@]2(CC[N@@H+]([C@H]3CC(=O)N(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1 ZINC000824915525 609367422 /nfs/dbraw/zinc/36/74/22/609367422.db2.gz FTUSHXLSHSEZIP-JOTOCRJQSA-N 1 0 380.452 2.011 20 0 GEADRO NC(=O)CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826390937 609368342 /nfs/dbraw/zinc/36/83/42/609368342.db2.gz RNYIPQSKAFOXAX-UHFFFAOYSA-N 1 0 393.289 2.107 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000826203023 609412835 /nfs/dbraw/zinc/41/28/35/609412835.db2.gz WQGFSBFNJROCFY-KRWDZBQOSA-N 1 0 396.426 2.300 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476104 609413334 /nfs/dbraw/zinc/41/33/34/609413334.db2.gz AULJXFNCWRLXPS-KRWDZBQOSA-N 1 0 384.390 2.430 20 0 GEADRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C1CCOCC1 ZINC000825141279 609417208 /nfs/dbraw/zinc/41/72/08/609417208.db2.gz NGSSZJIUXNLLCN-QZTJIDSGSA-N 1 0 384.484 2.157 20 0 GEADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826236556 609450966 /nfs/dbraw/zinc/45/09/66/609450966.db2.gz RAJCZMHCANWHCX-UHFFFAOYSA-N 1 0 383.481 2.304 20 0 GEADRO CC1([C@@H]2CCC[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)OCCO1 ZINC000824817443 609501669 /nfs/dbraw/zinc/50/16/69/609501669.db2.gz OEOUIPUNAISNTM-QGZVFWFLSA-N 1 0 395.467 2.163 20 0 GEADRO COc1ccc([C@H](CNc2nccc(C)c2-c2nn[nH]n2)[NH+](C)C)cc1OC ZINC000826189410 609519373 /nfs/dbraw/zinc/51/93/73/609519373.db2.gz VCMMOWBZRUDVLS-AWEZNQCLSA-N 1 0 383.456 2.302 20 0 GEADRO Cc1c(Cl)cnc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1-c1nn[nH]n1 ZINC000826239131 609534078 /nfs/dbraw/zinc/53/40/78/609534078.db2.gz YNPKTZQSXDPLOE-CYBMUJFWSA-N 1 0 377.880 2.279 20 0 GEADRO C[N@H+](CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)C1CCCCC1 ZINC000825942144 609543542 /nfs/dbraw/zinc/54/35/42/609543542.db2.gz YNLJOTDXOIENMS-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2ccc3[nH]cnc3c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476997 609600872 /nfs/dbraw/zinc/60/08/72/609600872.db2.gz SYWZEWNYFZUOQR-KRWDZBQOSA-N 1 0 388.435 2.028 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ncc1Br ZINC000446547713 649983455 /nfs/dbraw/zinc/98/34/55/649983455.db2.gz NIMRLJKAWYEVCD-STQMWFEESA-N 1 0 397.317 2.470 20 0 GEADRO CCCn1c(CSCC[NH+](C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000446565333 649983650 /nfs/dbraw/zinc/98/36/50/649983650.db2.gz OLGKLQLBRIRNFW-UHFFFAOYSA-N 1 0 384.571 2.491 20 0 GEADRO C[N@@H+]1CCCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000447049360 649996040 /nfs/dbraw/zinc/99/60/40/649996040.db2.gz DMYAJBISEPZGSC-UHFFFAOYSA-N 1 0 392.301 2.482 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000447247418 650003300 /nfs/dbraw/zinc/00/33/00/650003300.db2.gz RSPYFYPMAARPBJ-BDAKNGLRSA-N 1 0 397.722 2.469 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C[C@H]1[NH3+] ZINC000447251585 650003679 /nfs/dbraw/zinc/00/36/79/650003679.db2.gz VDWMWGRWASXJQI-GMSGAONNSA-N 1 0 387.221 2.436 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000448121600 650013547 /nfs/dbraw/zinc/01/35/47/650013547.db2.gz HWPQFVUDGTXMPO-UHFFFAOYSA-N 1 0 381.278 2.492 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000448319138 650015180 /nfs/dbraw/zinc/01/51/80/650015180.db2.gz DLBYXHDFNYCBIO-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1-n1cc(Br)cn1 ZINC000448723085 650019853 /nfs/dbraw/zinc/01/98/53/650019853.db2.gz GIEUPEXBHBOQQW-KGLIPLIRSA-N 1 0 390.285 2.386 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(I)cc1F ZINC000448909514 650025279 /nfs/dbraw/zinc/02/52/79/650025279.db2.gz IXYVJHZHVNIKDA-UHFFFAOYSA-N 1 0 394.228 2.081 20 0 GEADRO Cc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000448872672 650024499 /nfs/dbraw/zinc/02/44/99/650024499.db2.gz IWBCOEIABMKTNQ-HNNXBMFYSA-N 1 0 396.329 2.004 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000448877336 650024707 /nfs/dbraw/zinc/02/47/07/650024707.db2.gz FFHKOCZEAURHCE-LBPRGKRZSA-N 1 0 380.290 2.490 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC000448925535 650025980 /nfs/dbraw/zinc/02/59/80/650025980.db2.gz PKXNJIBIRVVJMU-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCC[N@H+](C)C(C)C ZINC000449114370 650032041 /nfs/dbraw/zinc/03/20/41/650032041.db2.gz ZGXWIUIVQYSEJI-ZDUSSCGKSA-N 1 0 386.334 2.392 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc(F)c2Br)CC1 ZINC000449035653 650030619 /nfs/dbraw/zinc/03/06/19/650030619.db2.gz HJMAICFYIKZLNZ-HNNXBMFYSA-N 1 0 384.293 2.327 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000449086263 650031542 /nfs/dbraw/zinc/03/15/42/650031542.db2.gz BPKBJMZJOVULML-MNOVXSKESA-N 1 0 388.258 2.449 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@](C)(O)C1CC1 ZINC000449149076 650033003 /nfs/dbraw/zinc/03/30/03/650033003.db2.gz VYZDRODDKWEZHO-GTNSWQLSSA-N 1 0 385.302 2.213 20 0 GEADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000449168981 650033509 /nfs/dbraw/zinc/03/35/09/650033509.db2.gz NRKFECSMXLJCHM-LLVKDONJSA-N 1 0 382.309 2.290 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449213658 650034368 /nfs/dbraw/zinc/03/43/68/650034368.db2.gz KSVJTHYNHMLGOD-LBPRGKRZSA-N 1 0 398.326 2.368 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449212101 650034416 /nfs/dbraw/zinc/03/44/16/650034416.db2.gz IOMZFQANEVVLFX-LLVKDONJSA-N 1 0 387.477 2.459 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000449221932 650034659 /nfs/dbraw/zinc/03/46/59/650034659.db2.gz LAWRTTXQMVLSSA-MFKMUULPSA-N 1 0 379.295 2.396 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449272558 650037270 /nfs/dbraw/zinc/03/72/70/650037270.db2.gz WFIPMQRPJDJRHX-UHFFFAOYSA-N 1 0 379.551 2.299 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000449443117 650041021 /nfs/dbraw/zinc/04/10/21/650041021.db2.gz PNHYKNSUYRKTTR-OAHLLOKOSA-N 1 0 383.539 2.448 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)Cn1cccn1 ZINC000449685902 650045569 /nfs/dbraw/zinc/04/55/69/650045569.db2.gz WNFZNESKCYOMMA-ZIAGYGMSSA-N 1 0 382.302 2.484 20 0 GEADRO COc1nccc(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)n1 ZINC000449600133 650043556 /nfs/dbraw/zinc/04/35/56/650043556.db2.gz NEPFBFGTALKOQK-AWEZNQCLSA-N 1 0 380.286 2.497 20 0 GEADRO CCn1nnc(C)c1C[NH2+]C[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000449601368 650043609 /nfs/dbraw/zinc/04/36/09/650043609.db2.gz RGSFTADXFAZFLQ-AWEZNQCLSA-N 1 0 397.317 2.318 20 0 GEADRO Cn1cc(I)c(CNC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000449602801 650043978 /nfs/dbraw/zinc/04/39/78/650043978.db2.gz DWKFSUNRBADFJB-UHFFFAOYSA-N 1 0 376.286 2.377 20 0 GEADRO CN(C)c1cc(NCc2ccc3c(c2)oc(=O)n3C)[nH+]cc1Br ZINC000449642602 650044542 /nfs/dbraw/zinc/04/45/42/650044542.db2.gz GPVPBHLIDJGGLH-UHFFFAOYSA-N 1 0 377.242 2.967 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000449702049 650046428 /nfs/dbraw/zinc/04/64/28/650046428.db2.gz YAXBOELSADMHNH-DOMZBBRYSA-N 1 0 394.313 2.306 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000449698467 650046477 /nfs/dbraw/zinc/04/64/77/650046477.db2.gz NUPYAPJKDJCXCU-DOMZBBRYSA-N 1 0 394.313 2.306 20 0 GEADRO CSc1cccc(N2C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2=O)c1 ZINC000449716977 650047500 /nfs/dbraw/zinc/04/75/00/650047500.db2.gz HLJUENSREXYFTD-ZWNOBZJWSA-N 1 0 375.416 2.157 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449719090 650047734 /nfs/dbraw/zinc/04/77/34/650047734.db2.gz GYHZONOQVZATLC-QWHCGFSZSA-N 1 0 379.810 2.490 20 0 GEADRO [NH3+]CC[C@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000449722901 650047800 /nfs/dbraw/zinc/04/78/00/650047800.db2.gz QOVNIOQHTKGDPN-NEPJUHHUSA-N 1 0 395.834 2.251 20 0 GEADRO Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000449726491 650048038 /nfs/dbraw/zinc/04/80/38/650048038.db2.gz XMNIDCMKKJNMOG-YPMHNXCESA-N 1 0 377.432 2.451 20 0 GEADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449739455 650048131 /nfs/dbraw/zinc/04/81/31/650048131.db2.gz ANPRSRXDCRNAAE-UXLLHSPISA-N 1 0 381.314 2.465 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000449729224 650048182 /nfs/dbraw/zinc/04/81/82/650048182.db2.gz ZBCIRXRLKXPHQY-WPRPVWTQSA-N 1 0 384.221 2.025 20 0 GEADRO O=C(c1cc(I)ccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740113 650048204 /nfs/dbraw/zinc/04/82/04/650048204.db2.gz NKFTYEGISJPAEE-PELKAZGASA-N 1 0 376.625 2.379 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000449786390 650050028 /nfs/dbraw/zinc/05/00/28/650050028.db2.gz NMPRPFGIBVNBKA-AWEZNQCLSA-N 1 0 393.329 2.442 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CCO1 ZINC000449880373 650054882 /nfs/dbraw/zinc/05/48/82/650054882.db2.gz NUKDLUALMCCQMN-SNVBAGLBSA-N 1 0 384.249 2.472 20 0 GEADRO Cc1ccc(CC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000450715179 650069681 /nfs/dbraw/zinc/06/96/81/650069681.db2.gz WJDDTGFUEBPYBX-OAHLLOKOSA-N 1 0 382.346 2.442 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000450712611 650069706 /nfs/dbraw/zinc/06/97/06/650069706.db2.gz RMTLPPMBATYKFZ-OAHLLOKOSA-N 1 0 382.346 2.442 20 0 GEADRO C[C@H]1[C@@H](NC(=O)c2cccnc2-n2cc(Br)cn2)CCC[N@@H+]1C ZINC000450794566 650070454 /nfs/dbraw/zinc/07/04/54/650070454.db2.gz MQBVXPIPFUNWLL-FZMZJTMJSA-N 1 0 378.274 2.242 20 0 GEADRO CC(C)[N@@H+]1CCCC[C@H]1CN1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000450990596 650078384 /nfs/dbraw/zinc/07/83/84/650078384.db2.gz HZPUVCLVGVKMDP-RRFJBIMHSA-N 1 0 385.496 2.003 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2cccc(F)c2Br)[C@H](C)C1 ZINC000451043535 650081347 /nfs/dbraw/zinc/08/13/47/650081347.db2.gz XHNMNGQSACQQHL-OLZOCXBDSA-N 1 0 387.293 2.434 20 0 GEADRO C[C@H]1C[NH+](CC2CCN(S(=O)(=O)CC3CC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000451155916 650091150 /nfs/dbraw/zinc/09/11/50/650091150.db2.gz CRRUTOQBGUGGBV-KBPBESRZSA-N 1 0 380.501 2.183 20 0 GEADRO CCC1([NH2+]CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCCC1 ZINC000451280256 650100590 /nfs/dbraw/zinc/10/05/90/650100590.db2.gz ZMXCJRFXXUBTHA-UHFFFAOYSA-N 1 0 388.555 2.023 20 0 GEADRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451172581 650092994 /nfs/dbraw/zinc/09/29/94/650092994.db2.gz PFQWPRWOMSJZBB-LBPRGKRZSA-N 1 0 379.295 2.302 20 0 GEADRO CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451194795 650095467 /nfs/dbraw/zinc/09/54/67/650095467.db2.gz SGCNYNUBNWHECT-GDBMZVCRSA-N 1 0 387.261 2.496 20 0 GEADRO O=C1CCCN1C[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451294457 650101715 /nfs/dbraw/zinc/10/17/15/650101715.db2.gz KDSSPUBHGYFWJT-LBPRGKRZSA-N 1 0 377.432 2.325 20 0 GEADRO CCN(C(=O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000451305184 650102306 /nfs/dbraw/zinc/10/23/06/650102306.db2.gz PXIXGXNCLCDFFN-MJBXVCDLSA-N 1 0 384.464 2.123 20 0 GEADRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1(C)C ZINC000451498597 650121178 /nfs/dbraw/zinc/12/11/78/650121178.db2.gz WUBDIICHJAYJKA-RHSMWYFYSA-N 1 0 388.917 2.475 20 0 GEADRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1(C)C ZINC000451498596 650121271 /nfs/dbraw/zinc/12/12/71/650121271.db2.gz WUBDIICHJAYJKA-PBHICJAKSA-N 1 0 388.917 2.475 20 0 GEADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1(C)C ZINC000451503467 650121595 /nfs/dbraw/zinc/12/15/95/650121595.db2.gz RGGNDHXGHRLLKG-UHNFBRDESA-N 1 0 388.917 2.331 20 0 GEADRO C[NH+](C)CCOc1cnccc1CNS(=O)(=O)c1sccc1Cl ZINC000451557241 650124975 /nfs/dbraw/zinc/12/49/75/650124975.db2.gz OIHXZBZITMZXEY-UHFFFAOYSA-N 1 0 375.903 2.215 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451653976 650129009 /nfs/dbraw/zinc/12/90/09/650129009.db2.gz NTAKCLTYKOJJOL-HZSPNIEDSA-N 1 0 384.318 2.163 20 0 GEADRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)N1CCO ZINC000451668741 650131425 /nfs/dbraw/zinc/13/14/25/650131425.db2.gz SYWRLRQTPWVXPR-OKILXGFUSA-N 1 0 384.318 2.165 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)C[C@@H]21 ZINC000451875587 650148929 /nfs/dbraw/zinc/14/89/29/650148929.db2.gz CIHJWQOGRAHETM-SKDRFNHKSA-N 1 0 379.707 2.427 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3Cl)C[C@@H]21 ZINC000451878443 650149581 /nfs/dbraw/zinc/14/95/81/650149581.db2.gz MQTJKVRUFSXDGE-KOLCDFICSA-N 1 0 379.707 2.427 20 0 GEADRO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)COC1CCOCC1 ZINC000451975553 650159994 /nfs/dbraw/zinc/15/99/94/650159994.db2.gz LHKKPTXBUUKJOI-OAHLLOKOSA-N 1 0 375.868 2.484 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451999729 650163986 /nfs/dbraw/zinc/16/39/86/650163986.db2.gz XNVZAKMROQNEJB-HNNXBMFYSA-N 1 0 383.341 2.462 20 0 GEADRO CN(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000451990319 650162302 /nfs/dbraw/zinc/16/23/02/650162302.db2.gz JPYMQQXPTNEEDM-ZIAGYGMSSA-N 1 0 390.311 2.469 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000452097698 650173363 /nfs/dbraw/zinc/17/33/63/650173363.db2.gz RMYTWBWSRWHFOL-UHFFFAOYSA-N 1 0 387.933 2.146 20 0 GEADRO OCCC[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000452113872 650174294 /nfs/dbraw/zinc/17/42/94/650174294.db2.gz CZAWOOSSDHVZQK-DOMZBBRYSA-N 1 0 376.266 2.422 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452357599 650181608 /nfs/dbraw/zinc/18/16/08/650181608.db2.gz FCNMLLUSNIENMO-CYBMUJFWSA-N 1 0 385.302 2.343 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(F)c(F)cc1Br ZINC000452363345 650181999 /nfs/dbraw/zinc/18/19/99/650181999.db2.gz LUNOUTNOTOTVRG-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO O=C(CCc1cc(Br)ccc1F)NC[C@H]1CCCC[N@H+]1CCO ZINC000452381133 650183287 /nfs/dbraw/zinc/18/32/87/650183287.db2.gz VCTWKHXBRHGXIH-OAHLLOKOSA-N 1 0 387.293 2.484 20 0 GEADRO O=C(CCc1cc(Br)ccc1F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452385103 650183458 /nfs/dbraw/zinc/18/34/58/650183458.db2.gz TURZMRINMIVQRF-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO O=C(CCOc1ccccc1Br)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452793810 650197769 /nfs/dbraw/zinc/19/77/69/650197769.db2.gz HYRUFAQRSSXLBC-AWEZNQCLSA-N 1 0 385.302 2.181 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)c(I)c1 ZINC000453132134 650206193 /nfs/dbraw/zinc/20/61/93/650206193.db2.gz HSSKVCBORUCEGV-JQWIXIFHSA-N 1 0 378.229 2.412 20 0 GEADRO CS(=O)(=O)NCCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453089005 650205614 /nfs/dbraw/zinc/20/56/14/650205614.db2.gz ZTLBBYNAUWCASR-HNNXBMFYSA-N 1 0 375.332 2.299 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)c(I)c1 ZINC000453132135 650206128 /nfs/dbraw/zinc/20/61/28/650206128.db2.gz HSSKVCBORUCEGV-PWSUYJOCSA-N 1 0 378.229 2.412 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1Br ZINC000453649024 650212002 /nfs/dbraw/zinc/21/20/02/650212002.db2.gz GCGACIOZBZLOIC-JTQLQIEISA-N 1 0 388.693 2.417 20 0 GEADRO CSC[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000453277935 650207692 /nfs/dbraw/zinc/20/76/92/650207692.db2.gz ONCPQCZXZFCPME-UONOGXRCSA-N 1 0 383.457 2.249 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2ccc(=O)[nH]n2)cc1Br ZINC000453341627 650208260 /nfs/dbraw/zinc/20/82/60/650208260.db2.gz CDWOXUAAJIVJOC-YPMHNXCESA-N 1 0 396.285 2.455 20 0 GEADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC ZINC000453364068 650208562 /nfs/dbraw/zinc/20/85/62/650208562.db2.gz LPUYPRNLBCGTKG-CJNGLKHVSA-N 1 0 397.317 2.269 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1Br ZINC000453343890 650208595 /nfs/dbraw/zinc/20/85/95/650208595.db2.gz CXTKCVYGDDMSCW-LSDHHAIUSA-N 1 0 390.343 2.075 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000453614432 650210547 /nfs/dbraw/zinc/21/05/47/650210547.db2.gz VFBLMFXTYLDJEN-NWDGAFQWSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000453626859 650210689 /nfs/dbraw/zinc/21/06/89/650210689.db2.gz URAGLBZBABTUNY-ZDUSSCGKSA-N 1 0 385.306 2.184 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000453626858 650210789 /nfs/dbraw/zinc/21/07/89/650210789.db2.gz URAGLBZBABTUNY-CYBMUJFWSA-N 1 0 385.306 2.184 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000453650603 650212397 /nfs/dbraw/zinc/21/23/97/650212397.db2.gz HVJOAZLWWQAMLF-LLVKDONJSA-N 1 0 391.269 2.004 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000453664982 650213837 /nfs/dbraw/zinc/21/38/37/650213837.db2.gz VIOFLWSYGSSEOC-GFCCVEGCSA-N 1 0 396.260 2.308 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000453715879 650219353 /nfs/dbraw/zinc/21/93/53/650219353.db2.gz YIXYOBDCPFDYGS-NSHDSACASA-N 1 0 386.265 2.245 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000453729721 650220432 /nfs/dbraw/zinc/22/04/32/650220432.db2.gz TYTCNWWEULZERI-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000453755443 650223190 /nfs/dbraw/zinc/22/31/90/650223190.db2.gz UDZJMOYCDYMVKW-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000453742765 650221875 /nfs/dbraw/zinc/22/18/75/650221875.db2.gz KWAMUYDLBXBBQS-BXUZGUMPSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000453769640 650225108 /nfs/dbraw/zinc/22/51/08/650225108.db2.gz OWFNOAQURGRYCK-NSHDSACASA-N 1 0 398.276 2.469 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(F)(F)F)cc3Cl)C[C@@H]21 ZINC000453919965 650236038 /nfs/dbraw/zinc/23/60/38/650236038.db2.gz QRDLYXMXFGRKCD-RNCFNFMXSA-N 1 0 375.778 2.460 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ncc1Br ZINC000454101115 650253341 /nfs/dbraw/zinc/25/33/41/650253341.db2.gz OMQSYFMHCUXRCQ-GFCCVEGCSA-N 1 0 383.290 2.032 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2nn(C)cc2Br)C1 ZINC000454310819 650262501 /nfs/dbraw/zinc/26/25/01/650262501.db2.gz BTZXAOUZIOIABL-CYBMUJFWSA-N 1 0 386.338 2.494 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000454659810 650275019 /nfs/dbraw/zinc/27/50/19/650275019.db2.gz RXVRYJPUBSWSCV-ZDUSSCGKSA-N 1 0 389.327 2.307 20 0 GEADRO C[NH+](C)CC1(CNC(=O)NCCn2cc(Br)ccc2=O)CCCC1 ZINC000454873493 650281458 /nfs/dbraw/zinc/28/14/58/650281458.db2.gz JMZCLZOMWLKUFS-UHFFFAOYSA-N 1 0 399.333 2.032 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3COc4cc(F)c(Br)cc43)C[C@@H]21 ZINC000454909635 650282787 /nfs/dbraw/zinc/28/27/87/650282787.db2.gz RLVDECIRQWKYJG-IIMNLJJBSA-N 1 0 384.249 2.367 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCn1cc(Br)ccc1=O ZINC000454972580 650285925 /nfs/dbraw/zinc/28/59/25/650285925.db2.gz KRVFHOVCDFQBDU-CYBMUJFWSA-N 1 0 387.322 2.030 20 0 GEADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccncc1I ZINC000455077875 650289716 /nfs/dbraw/zinc/28/97/16/650289716.db2.gz DTFRRLNXKOKYRK-LLVKDONJSA-N 1 0 388.253 2.056 20 0 GEADRO Cc1csc([C@@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C(F)(F)F)n1 ZINC000455694561 650313270 /nfs/dbraw/zinc/31/32/70/650313270.db2.gz FDZOWJKXDXRWOT-VXGBXAGGSA-N 1 0 380.436 2.201 20 0 GEADRO Cc1csc([C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C(F)(F)F)n1 ZINC000455706994 650313581 /nfs/dbraw/zinc/31/35/81/650313581.db2.gz PYIKPVASFUMFJV-RYUDHWBXSA-N 1 0 380.436 2.201 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000455712532 650314053 /nfs/dbraw/zinc/31/40/53/650314053.db2.gz URWKSHKIOCSABC-RYUDHWBXSA-N 1 0 382.452 2.447 20 0 GEADRO C[C@H](CNC(=O)Nc1nnc2ccc(Br)cn21)[NH+]1CCC(C)CC1 ZINC000455754393 650316494 /nfs/dbraw/zinc/31/64/94/650316494.db2.gz KXTUNJVGVDRGGG-GFCCVEGCSA-N 1 0 395.305 2.734 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nnc3ccc(Br)cn32)C[C@@H]1C ZINC000455766599 650317448 /nfs/dbraw/zinc/31/74/48/650317448.db2.gz VRPOEEBVOKMQHS-AAEUAGOBSA-N 1 0 395.305 2.828 20 0 GEADRO C[C@@H](NC(=O)Nc1nc2cc(Br)ccn2n1)C(C)(C)C[NH+](C)C ZINC000455855871 650321964 /nfs/dbraw/zinc/32/19/64/650321964.db2.gz GJQOVQCOKCNQHV-SNVBAGLBSA-N 1 0 383.294 2.590 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455866510 650323999 /nfs/dbraw/zinc/32/39/99/650323999.db2.gz VLMXQTSRDNWMAU-NSHDSACASA-N 1 0 383.294 2.734 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000455804404 650318981 /nfs/dbraw/zinc/31/89/81/650318981.db2.gz PETBXDQGSZQSKD-AWEZNQCLSA-N 1 0 385.306 2.367 20 0 GEADRO C[C@@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[NH+]1CCC(C)CC1 ZINC000455819056 650319961 /nfs/dbraw/zinc/31/99/61/650319961.db2.gz AJVYKLCHPVQMLB-LBPRGKRZSA-N 1 0 395.305 2.734 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(I)cn1 ZINC000456055616 650328860 /nfs/dbraw/zinc/32/88/60/650328860.db2.gz STOKADMMJYUFCH-SMDDNHRTSA-N 1 0 385.249 2.385 20 0 GEADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)[C@@H]2C1 ZINC000456070084 650329323 /nfs/dbraw/zinc/32/93/23/650329323.db2.gz ZJMHHXPOOWKQPP-HZMVEIRTSA-N 1 0 379.298 2.484 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000456280864 650336109 /nfs/dbraw/zinc/33/61/09/650336109.db2.gz TYYUVXBPRKYUEF-CABCVRRESA-N 1 0 382.277 2.082 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456305504 650336790 /nfs/dbraw/zinc/33/67/90/650336790.db2.gz BJSWMCOPTSMLJT-RJPYNODJSA-N 1 0 394.313 2.309 20 0 GEADRO CN1CCN(c2ncc(Br)cc2NC(=O)CC2(O)CCCC2)CC1 ZINC000456588627 650350007 /nfs/dbraw/zinc/35/00/07/650350007.db2.gz NSFXNTCMAUFEAX-UHFFFAOYSA-N 1 0 397.317 2.230 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000457540459 650380533 /nfs/dbraw/zinc/38/05/33/650380533.db2.gz ZUJZSQNDYDBBRZ-OAHLLOKOSA-N 1 0 380.290 2.285 20 0 GEADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500474380 650378612 /nfs/dbraw/zinc/37/86/12/650378612.db2.gz HFNVNHZCLBGXGE-RISCZKNCSA-N 1 0 391.331 2.265 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC1CC[NH+](C)CC1 ZINC000457446827 650379199 /nfs/dbraw/zinc/37/91/99/650379199.db2.gz CXHZGJIOJLOHAG-CQSZACIVSA-N 1 0 398.345 2.302 20 0 GEADRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1OC(F)F ZINC000500496927 650379608 /nfs/dbraw/zinc/37/96/08/650379608.db2.gz JHOLSQWNDOWTFB-DGCLKSJQSA-N 1 0 378.441 2.104 20 0 GEADRO C[N@@H+]1CCN(C(=O)COc2ccc(I)cc2)C(C)(C)C1 ZINC000500507323 650379805 /nfs/dbraw/zinc/37/98/05/650379805.db2.gz FZSNNWTVMARNBQ-UHFFFAOYSA-N 1 0 388.249 2.223 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1Br ZINC000500501049 650379854 /nfs/dbraw/zinc/37/98/54/650379854.db2.gz SUPAJLUFZSRJTG-TZMCWYRMSA-N 1 0 391.331 2.265 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000500509001 650379870 /nfs/dbraw/zinc/37/98/70/650379870.db2.gz RJLAQZLUKAHDGS-KRWDZBQOSA-N 1 0 385.961 2.439 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000500567412 650380691 /nfs/dbraw/zinc/38/06/91/650380691.db2.gz RFGOABMHTAJJGF-SMDDNHRTSA-N 1 0 379.295 2.396 20 0 GEADRO O=C(NCc1cc(Br)ccc1F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457772744 650384410 /nfs/dbraw/zinc/38/44/10/650384410.db2.gz KBGFCMAKPKUULE-CQSZACIVSA-N 1 0 388.281 2.234 20 0 GEADRO O=C(NCc1cc(F)cc(Br)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000457957940 650390738 /nfs/dbraw/zinc/39/07/38/650390738.db2.gz MRVLNRBHZWUXRA-OAHLLOKOSA-N 1 0 388.281 2.234 20 0 GEADRO COC(=O)CN(C)C(=O)CC[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000501420520 650391520 /nfs/dbraw/zinc/39/15/20/650391520.db2.gz QQHHHWRRTYSRPT-LBPRGKRZSA-N 1 0 383.286 2.217 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000458107179 650395379 /nfs/dbraw/zinc/39/53/79/650395379.db2.gz CFPAQMXPCYDCLJ-LBPRGKRZSA-N 1 0 385.306 2.335 20 0 GEADRO O=C(NCCc1ccccc1Br)NC[C@H]1CCCC[N@H+]1CCO ZINC000458111172 650395473 /nfs/dbraw/zinc/39/54/73/650395473.db2.gz PBLOVQIVCCFIKD-OAHLLOKOSA-N 1 0 384.318 2.138 20 0 GEADRO CC[C@H](C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000458152155 650398133 /nfs/dbraw/zinc/39/81/33/650398133.db2.gz RAVMYUAQGYMDHZ-IUODEOHRSA-N 1 0 375.282 2.196 20 0 GEADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458290569 650399799 /nfs/dbraw/zinc/39/97/99/650399799.db2.gz ROVZOYFKMMMXLQ-MRXNPFEDSA-N 1 0 387.571 2.056 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC000502345364 650405183 /nfs/dbraw/zinc/40/51/83/650405183.db2.gz KQIQXDHUQKLQBG-SNVBAGLBSA-N 1 0 390.278 2.367 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1N)C(=O)NCCF ZINC000502361831 650405457 /nfs/dbraw/zinc/40/54/57/650405457.db2.gz DEUOVGYFCCRMPU-SSDOTTSWSA-N 1 0 397.086 2.358 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000458723121 650409545 /nfs/dbraw/zinc/40/95/45/650409545.db2.gz AXYLEKPDGJGKJB-CQSZACIVSA-N 1 0 386.338 2.457 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cn1 ZINC000458728229 650409576 /nfs/dbraw/zinc/40/95/76/650409576.db2.gz GAJVCVIUCCUGRN-GXTWGEPZSA-N 1 0 385.306 2.051 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000458689317 650407542 /nfs/dbraw/zinc/40/75/42/650407542.db2.gz IFMGPQZLEXEKPW-HNNXBMFYSA-N 1 0 385.306 2.269 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000502538470 650408150 /nfs/dbraw/zinc/40/81/50/650408150.db2.gz AQKKQPAEKYNMKH-LZWOXQAQSA-N 1 0 391.339 2.258 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cc(Br)ccc3F)[C@H]2C1 ZINC000502711989 650410509 /nfs/dbraw/zinc/41/05/09/650410509.db2.gz KMHJYRKAPKXVLA-JKSUJKDBSA-N 1 0 385.277 2.452 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3COc4ccc(Br)cc43)[C@H]2C1 ZINC000502703639 650410594 /nfs/dbraw/zinc/41/05/94/650410594.db2.gz MLQFTGLFKWVWMI-HLLBOEOZSA-N 1 0 395.297 2.247 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000503221407 650416379 /nfs/dbraw/zinc/41/63/79/650416379.db2.gz JRTNBAIHJXZAOQ-KBPBESRZSA-N 1 0 393.372 2.424 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1[NH+](C)C ZINC000503220959 650416396 /nfs/dbraw/zinc/41/63/96/650416396.db2.gz RNNNMRFPVJAPCF-LSDHHAIUSA-N 1 0 395.953 2.133 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000503132981 650414815 /nfs/dbraw/zinc/41/48/15/650414815.db2.gz RILBCNOHEBZLDI-GFCCVEGCSA-N 1 0 384.261 2.391 20 0 GEADRO C[C@@H](CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)[NH+](C)C ZINC000459061575 650418393 /nfs/dbraw/zinc/41/83/93/650418393.db2.gz PVAMYKAHYIPLGC-ZDUSSCGKSA-N 1 0 398.305 2.401 20 0 GEADRO CC[C@@H]1CN(C(=O)NCCc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000459145429 650419463 /nfs/dbraw/zinc/41/94/63/650419463.db2.gz HPRGPNJWXFEKIU-RHSMWYFYSA-N 1 0 398.345 2.478 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2cccc(Br)c2)[C@H](C)C1 ZINC000459155051 650419920 /nfs/dbraw/zinc/41/99/20/650419920.db2.gz UQBOXJRUPVIGJL-KGLIPLIRSA-N 1 0 384.318 2.088 20 0 GEADRO Cc1cc(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1Br ZINC000459168868 650420493 /nfs/dbraw/zinc/42/04/93/650420493.db2.gz GHZIWTNLQHWCIH-HNNXBMFYSA-N 1 0 384.318 2.404 20 0 GEADRO Cc1cc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1Br ZINC000459187537 650420701 /nfs/dbraw/zinc/42/07/01/650420701.db2.gz UZFQJXXUOHJHQR-HNNXBMFYSA-N 1 0 384.318 2.404 20 0 GEADRO C[NH+]1CCN(c2ccc(NCc3cccc(O)c3Br)nc2)CC1 ZINC000459372650 650423526 /nfs/dbraw/zinc/42/35/26/650423526.db2.gz LMVBVBYPRCJFAA-UHFFFAOYSA-N 1 0 377.286 2.914 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000503859810 650423746 /nfs/dbraw/zinc/42/37/46/650423746.db2.gz VSKTZWOFTGMDHS-SNVBAGLBSA-N 1 0 395.294 2.312 20 0 GEADRO CCOc1cc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc(Cl)c1O ZINC000459401192 650423835 /nfs/dbraw/zinc/42/38/35/650423835.db2.gz IKVRDVWEVUPQKH-UHFFFAOYSA-N 1 0 376.906 2.206 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000504072071 650426847 /nfs/dbraw/zinc/42/68/47/650426847.db2.gz YFLLMOSGPIYACS-WBMJQRKESA-N 1 0 382.302 2.266 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H]1SC ZINC000459518504 650427130 /nfs/dbraw/zinc/42/71/30/650427130.db2.gz CJCFOUADXADLOA-GUTXKFCHSA-N 1 0 396.937 2.256 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@H](C)C1 ZINC000504129062 650427587 /nfs/dbraw/zinc/42/75/87/650427587.db2.gz ROQXTZAYRZISHY-RPCCPQHDSA-N 1 0 396.329 2.402 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000504205359 650428385 /nfs/dbraw/zinc/42/83/85/650428385.db2.gz RPIFWMQTVNNPFS-IOASZLSFSA-N 1 0 383.945 2.387 20 0 GEADRO CN(C)c1nccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)n1 ZINC000459706942 650430595 /nfs/dbraw/zinc/43/05/95/650430595.db2.gz ROGWSAKSFSMBNN-CYBMUJFWSA-N 1 0 397.292 2.385 20 0 GEADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459708218 650430605 /nfs/dbraw/zinc/43/06/05/650430605.db2.gz SGQKRFLTKZPFJI-WFASDCNBSA-N 1 0 387.293 2.386 20 0 GEADRO C[C@@H](NC(=O)C[NH2+]C1(CO)CCSCC1)c1ccc(Br)cc1 ZINC000459708134 650430624 /nfs/dbraw/zinc/43/06/24/650430624.db2.gz JBTJROVASGCIDO-GFCCVEGCSA-N 1 0 387.343 2.474 20 0 GEADRO CCCOc1c(Br)cc(CN2C[C@H](O)[C@@H](CO)C2)cc1OCC ZINC000459715978 650430841 /nfs/dbraw/zinc/43/08/41/650430841.db2.gz VLPQQTVZBAILBI-HIFRSBDPSA-N 1 0 388.302 2.422 20 0 GEADRO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c(Br)c1 ZINC000459712265 650430857 /nfs/dbraw/zinc/43/08/57/650430857.db2.gz MWMMWPPAEGJZIT-UHFFFAOYSA-N 1 0 399.329 2.429 20 0 GEADRO NC(=O)C1([NH2+]CC(=O)NCc2ccc(Cl)s2)C2CC3CC(C2)CC1C3 ZINC000459785173 650432607 /nfs/dbraw/zinc/43/26/07/650432607.db2.gz ZEGGEVRINMJJEM-UHFFFAOYSA-N 1 0 381.929 2.288 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000459861369 650434192 /nfs/dbraw/zinc/43/41/92/650434192.db2.gz YVTFBQRKOVKNEU-UHFFFAOYSA-N 1 0 396.329 2.208 20 0 GEADRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1cncc(Br)c1)C(C)C ZINC000505336269 650436522 /nfs/dbraw/zinc/43/65/22/650436522.db2.gz UDSLYLCIDPLRKL-UHFFFAOYSA-N 1 0 385.306 2.360 20 0 GEADRO CN(CC1CC1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000460049254 650438705 /nfs/dbraw/zinc/43/87/05/650438705.db2.gz JTXWJOHCFBNFKF-UHFFFAOYSA-N 1 0 396.329 2.208 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460077246 650439075 /nfs/dbraw/zinc/43/90/75/650439075.db2.gz PGNCSHSCZOYQOJ-ZDUSSCGKSA-N 1 0 398.301 2.087 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000505597155 650439117 /nfs/dbraw/zinc/43/91/17/650439117.db2.gz QFXMWTJBOUVQNN-UHFFFAOYSA-N 1 0 387.318 2.425 20 0 GEADRO CCCCc1nnc(NC(=O)CN2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)s1 ZINC000460356439 650441936 /nfs/dbraw/zinc/44/19/36/650441936.db2.gz ZZAPYBOOGSKQMS-KGLIPLIRSA-N 1 0 383.587 2.331 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000460264148 650441050 /nfs/dbraw/zinc/44/10/50/650441050.db2.gz WDHNLDBYGMSAPJ-GOSISDBHSA-N 1 0 396.329 2.237 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000460272286 650441241 /nfs/dbraw/zinc/44/12/41/650441241.db2.gz WUZJNSYKCXFNGG-QGZVFWFLSA-N 1 0 384.318 2.093 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000460279152 650441271 /nfs/dbraw/zinc/44/12/71/650441271.db2.gz XRPAGHGSFORNMJ-RHSMWYFYSA-N 1 0 384.318 2.136 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000506605758 650447410 /nfs/dbraw/zinc/44/74/10/650447410.db2.gz BTCYMORFHPEILU-ZDUSSCGKSA-N 1 0 388.331 2.070 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)[C@H]1CCC[N@H+]1C ZINC000506605748 650447469 /nfs/dbraw/zinc/44/74/69/650447469.db2.gz BTCYMORFHPEILU-CYBMUJFWSA-N 1 0 388.331 2.070 20 0 GEADRO C[C@@H](NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1)C(=O)N(C)C ZINC000506906981 650451993 /nfs/dbraw/zinc/45/19/93/650451993.db2.gz BJHHPBGUQUPOIH-GFCCVEGCSA-N 1 0 382.302 2.011 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccncc3Br)CC2)c1 ZINC000507225514 650456531 /nfs/dbraw/zinc/45/65/31/650456531.db2.gz UYJJBAMHLZCASI-UHFFFAOYSA-N 1 0 392.257 2.024 20 0 GEADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000507373086 650459491 /nfs/dbraw/zinc/45/94/91/650459491.db2.gz CGAUAEAEHWCYTI-OAHLLOKOSA-N 1 0 380.539 2.499 20 0 GEADRO CCOc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1Br ZINC000461898174 650462037 /nfs/dbraw/zinc/46/20/37/650462037.db2.gz DTVOPVKBKSBIJH-ZDUSSCGKSA-N 1 0 377.304 2.206 20 0 GEADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000461899973 650462255 /nfs/dbraw/zinc/46/22/55/650462255.db2.gz JHPRADAOTGSSPE-WFASDCNBSA-N 1 0 388.917 2.113 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000507556853 650462486 /nfs/dbraw/zinc/46/24/86/650462486.db2.gz XONSBOUHZASKHB-OAHLLOKOSA-N 1 0 397.317 2.103 20 0 GEADRO CCc1nc(CN2CCN(C(=O)CSCC[NH+](CC)CC)CC2)cs1 ZINC000461982991 650463382 /nfs/dbraw/zinc/46/33/82/650463382.db2.gz HWDREQBBNRICAJ-UHFFFAOYSA-N 1 0 384.615 2.425 20 0 GEADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccccc1Br ZINC000462091293 650467102 /nfs/dbraw/zinc/46/71/02/650467102.db2.gz YNROAWDIVUKIGH-UHFFFAOYSA-N 1 0 375.332 2.347 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC000462142968 650470767 /nfs/dbraw/zinc/47/07/67/650470767.db2.gz VTIPRMIPHLBVHU-CYBMUJFWSA-N 1 0 382.507 2.334 20 0 GEADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)CCc1ccccc1Br ZINC000462096369 650467603 /nfs/dbraw/zinc/46/76/03/650467603.db2.gz IHOBUFBJBZCZMX-HNNXBMFYSA-N 1 0 387.343 2.490 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCc1ccccc1Br ZINC000462098003 650467907 /nfs/dbraw/zinc/46/79/07/650467907.db2.gz OGGNPBPIRYTZHH-WBMJQRKESA-N 1 0 387.343 2.394 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)CCc2ccccc2Br)CC[N@@H+]1C ZINC000462111808 650469462 /nfs/dbraw/zinc/46/94/62/650469462.db2.gz NYYUEYIXLAZUHX-TZMCWYRMSA-N 1 0 375.332 2.394 20 0 GEADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)CCc2ccccc2Br)C1 ZINC000462114202 650469831 /nfs/dbraw/zinc/46/98/31/650469831.db2.gz VKCJZVQINRWXFJ-AWEZNQCLSA-N 1 0 375.332 2.347 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462390791 650477669 /nfs/dbraw/zinc/47/76/69/650477669.db2.gz HBGDDUIGDXKJPA-KBXCAEBGSA-N 1 0 380.330 2.481 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000462469764 650480949 /nfs/dbraw/zinc/48/09/49/650480949.db2.gz REYWTXGQXJOBID-HZPDHXFCSA-N 1 0 389.587 2.246 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(I)c2)CC[N@@H+]1C ZINC000462487765 650481862 /nfs/dbraw/zinc/48/18/62/650481862.db2.gz GGVGSDKRHJHNIA-CMPLNLGQSA-N 1 0 394.278 2.052 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000508972291 650485087 /nfs/dbraw/zinc/48/50/87/650485087.db2.gz XSRYNSWEYDXASW-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000462689188 650488575 /nfs/dbraw/zinc/48/85/75/650488575.db2.gz VCEQHKRVFHFVIA-DOMZBBRYSA-N 1 0 380.901 2.116 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000462867551 650491732 /nfs/dbraw/zinc/49/17/32/650491732.db2.gz JSVICOBVKSLZBG-LLVKDONJSA-N 1 0 396.285 2.058 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000463324453 650493178 /nfs/dbraw/zinc/49/31/78/650493178.db2.gz HPEJEVKVKWRWER-GHMZBOCLSA-N 1 0 386.290 2.087 20 0 GEADRO Cc1cc(N2CCC[C@H]([NH2+]C[C@@H]3CN(C)CCO3)C2=O)ccc1Br ZINC000463408335 650495220 /nfs/dbraw/zinc/49/52/20/650495220.db2.gz DGQGXPOTUUFINM-WBVHZDCISA-N 1 0 396.329 2.173 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000509592015 650496722 /nfs/dbraw/zinc/49/67/22/650496722.db2.gz MAFQDFCUVVKEBJ-WDEREUQCSA-N 1 0 388.331 2.134 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCS2)cc1Cl ZINC000465311202 650497729 /nfs/dbraw/zinc/49/77/29/650497729.db2.gz JGRWXXKVDQMCKF-ZDUSSCGKSA-N 1 0 385.917 2.231 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NCc2cn3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000465704759 650498914 /nfs/dbraw/zinc/49/89/14/650498914.db2.gz KJZAKDYOCPYJBN-YPMHNXCESA-N 1 0 380.290 2.379 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1sc(S(N)(=O)=O)cc1C ZINC000509738821 650499763 /nfs/dbraw/zinc/49/97/63/650499763.db2.gz DQBUDRQKKUGSCY-UHFFFAOYSA-N 1 0 375.560 2.144 20 0 GEADRO Cn1cc(Br)cc1C[N@H+](C)CCc1nnnn1-c1ccccc1 ZINC000468065132 650503616 /nfs/dbraw/zinc/50/36/16/650503616.db2.gz LZUCOSCBRBOHAM-UHFFFAOYSA-N 1 0 375.274 2.438 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000510093554 650506645 /nfs/dbraw/zinc/50/66/45/650506645.db2.gz IIHJYPALZSISFH-OAHLLOKOSA-N 1 0 385.302 2.397 20 0 GEADRO CC[N@H+](C)CCNC(=O)CCOc1cccc(I)c1 ZINC000468932339 650508569 /nfs/dbraw/zinc/50/85/69/650508569.db2.gz JLDKPMHLGBZWHS-UHFFFAOYSA-N 1 0 376.238 2.128 20 0 GEADRO C[NH+](C)CCN(C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000470976914 650517654 /nfs/dbraw/zinc/51/76/54/650517654.db2.gz SISUVIRXEHCGOZ-INIZCTEOSA-N 1 0 394.313 2.355 20 0 GEADRO CC(C)N1CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510799720 650519232 /nfs/dbraw/zinc/51/92/32/650519232.db2.gz WOVQWHSJPJQYEU-DLBZAZTESA-N 1 0 391.940 2.484 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCN2CCc3sccc3C2)cc1 ZINC000472690937 650521253 /nfs/dbraw/zinc/52/12/53/650521253.db2.gz XZIBUKUVJSRDGA-UHFFFAOYSA-N 1 0 379.551 2.146 20 0 GEADRO C[C@@H]([NH2+]CCCOC(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000511011485 650523005 /nfs/dbraw/zinc/52/30/05/650523005.db2.gz LZVALJJDBGKFTL-MRVPVSSYSA-N 1 0 387.246 2.376 20 0 GEADRO COC(=O)CN1CC[NH+](CCCc2ccc(Br)cc2OC)CC1 ZINC000475306833 650531535 /nfs/dbraw/zinc/53/15/35/650531535.db2.gz VDSAPLKELQTMKN-UHFFFAOYSA-N 1 0 385.302 2.181 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000475264888 650530118 /nfs/dbraw/zinc/53/01/18/650530118.db2.gz GXMUIPLFVHBVNI-SNVBAGLBSA-N 1 0 384.249 2.188 20 0 GEADRO Cc1c(Br)scc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000475334447 650531927 /nfs/dbraw/zinc/53/19/27/650531927.db2.gz KEKUEVORNHIHBJ-NSHDSACASA-N 1 0 388.331 2.136 20 0 GEADRO COCCCS(=O)(=O)NCC[N@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000475347210 650532172 /nfs/dbraw/zinc/53/21/72/650532172.db2.gz GMJYQYOKGABEMC-DAWZGUTISA-N 1 0 376.563 2.002 20 0 GEADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)c2cc(C)c(C)s2)CC1 ZINC000511410779 650536177 /nfs/dbraw/zinc/53/61/77/650536177.db2.gz LSGHSPZNMHOUOR-UHFFFAOYSA-N 1 0 390.571 2.113 20 0 GEADRO C[NH+](C)CCNC(=O)NCc1ccc(I)cc1Cl ZINC000475684795 650536389 /nfs/dbraw/zinc/53/63/89/650536389.db2.gz LJFVVSFIMCPCDZ-UHFFFAOYSA-N 1 0 381.645 2.305 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCC1CCS(=O)(=O)CC1 ZINC000511540893 650538478 /nfs/dbraw/zinc/53/84/78/650538478.db2.gz JYVMKJGIQNBLOG-UHFFFAOYSA-N 1 0 387.571 2.036 20 0 GEADRO C[C@](CO)([NH2+]C[C@H](O)COCc1ccco1)c1ccc(Br)cc1 ZINC000511552095 650538566 /nfs/dbraw/zinc/53/85/66/650538566.db2.gz FYQLUKMSCLKKSO-DOTOQJQBSA-N 1 0 384.270 2.417 20 0 GEADRO CN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)C1=O ZINC000511575038 650538941 /nfs/dbraw/zinc/53/89/41/650538941.db2.gz MFYLDXDMRQEVMN-DGCLKSJQSA-N 1 0 391.693 2.005 20 0 GEADRO CC[N@@H+]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000511614051 650539534 /nfs/dbraw/zinc/53/95/34/650539534.db2.gz ZIAMJNBJYLIWJB-WFASDCNBSA-N 1 0 375.282 2.354 20 0 GEADRO CC[N@@H+]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000511614049 650539687 /nfs/dbraw/zinc/53/96/87/650539687.db2.gz ZIAMJNBJYLIWJB-IUODEOHRSA-N 1 0 375.282 2.354 20 0 GEADRO COc1ccc(CCC(=O)NCCNc2cc[nH+]cc2)cc1Br ZINC000512060392 650544761 /nfs/dbraw/zinc/54/47/61/650544761.db2.gz VLNFDFJNVIHAQO-UHFFFAOYSA-N 1 0 378.270 2.436 20 0 GEADRO COCCC[NH+]1CCC(NCc2ncc(I)s2)CC1 ZINC000512086442 650545131 /nfs/dbraw/zinc/54/51/31/650545131.db2.gz DLVCAVBGQQRSSL-UHFFFAOYSA-N 1 0 395.310 2.338 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000512070930 650545014 /nfs/dbraw/zinc/54/50/14/650545014.db2.gz GATMTGWBTXJNDN-LLVKDONJSA-N 1 0 388.331 2.089 20 0 GEADRO Cc1cc([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)sc1Br ZINC000512036815 650544210 /nfs/dbraw/zinc/54/42/10/650544210.db2.gz BGFWTVOMIWLYJD-JTQLQIEISA-N 1 0 382.345 2.409 20 0 GEADRO CNS(=O)(=O)c1cccc(NCc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000512614683 650551592 /nfs/dbraw/zinc/55/15/92/650551592.db2.gz RSRCRLWCFZSJIN-UHFFFAOYSA-N 1 0 380.539 2.430 20 0 GEADRO COC(=O)C[C@@](C)([NH2+]CCN1CCCC1=O)c1ccc(Br)cc1 ZINC000513128853 650558189 /nfs/dbraw/zinc/55/81/89/650558189.db2.gz TYCDNJOHYTXVER-QGZVFWFLSA-N 1 0 383.286 2.439 20 0 GEADRO CN(C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H]1CCSC1 ZINC000512747001 650553441 /nfs/dbraw/zinc/55/34/41/650553441.db2.gz AOTTXGXIYQBNER-YCPHGPKFSA-N 1 0 381.567 2.211 20 0 GEADRO CC(C)[C@H](C(=O)NCCOc1ccc(I)cc1)[NH+](C)C ZINC000512794921 650554363 /nfs/dbraw/zinc/55/43/63/650554363.db2.gz KWVIRXOUDTVZDO-CQSZACIVSA-N 1 0 390.265 2.372 20 0 GEADRO CCN1C[C@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000512869187 650555549 /nfs/dbraw/zinc/55/55/49/650555549.db2.gz OPAUNXPTYHKNHH-WCQYABFASA-N 1 0 380.341 2.202 20 0 GEADRO COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000512972744 650555779 /nfs/dbraw/zinc/55/57/79/650555779.db2.gz VTOFJFNBYIIHRD-AWEZNQCLSA-N 1 0 391.331 2.361 20 0 GEADRO CSc1cc2c(cc1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O)OCCO2 ZINC000512994376 650555941 /nfs/dbraw/zinc/55/59/41/650555941.db2.gz ZLRSKHDQTMQIKR-CQSZACIVSA-N 1 0 386.539 2.083 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2ccncc2)c1 ZINC000513045639 650556945 /nfs/dbraw/zinc/55/69/45/650556945.db2.gz GISHASGFUQFPTI-UHFFFAOYSA-N 1 0 384.299 2.221 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2ccn(C)c2)c1 ZINC000513040577 650557011 /nfs/dbraw/zinc/55/70/11/650557011.db2.gz JIRSVRZZGUTFOY-UHFFFAOYSA-N 1 0 386.315 2.164 20 0 GEADRO COCCCS(=O)(=O)NCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000476809007 650560281 /nfs/dbraw/zinc/56/02/81/650560281.db2.gz RTNFBUJZDRYHKG-UHFFFAOYSA-N 1 0 380.432 2.240 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccccc2Br)[C@H](C)C1 ZINC000476855934 650561406 /nfs/dbraw/zinc/56/14/06/650561406.db2.gz UEVIQAIEUONDAO-ZIAGYGMSSA-N 1 0 385.302 2.132 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCCn2cc(Br)cn2)C1 ZINC000513591321 650565490 /nfs/dbraw/zinc/56/54/90/650565490.db2.gz FGSMPDDZHFPLMZ-OAHLLOKOSA-N 1 0 398.349 2.409 20 0 GEADRO Cc1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(Br)c1 ZINC000513416774 650562725 /nfs/dbraw/zinc/56/27/25/650562725.db2.gz PXXXFFYLUCPCON-UHFFFAOYSA-N 1 0 380.330 2.498 20 0 GEADRO CC[NH+](CC)CC(=O)NCCOc1ccc(I)cc1 ZINC000513858571 650570399 /nfs/dbraw/zinc/57/03/99/650570399.db2.gz BKAGTXYHUHOACB-UHFFFAOYSA-N 1 0 376.238 2.128 20 0 GEADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000477288353 650573376 /nfs/dbraw/zinc/57/33/76/650573376.db2.gz FHSHIMZQGZZSPE-UHFFFAOYSA-N 1 0 381.420 2.175 20 0 GEADRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CCSC(C)C)CC2)cc1 ZINC000514075754 650573411 /nfs/dbraw/zinc/57/34/11/650573411.db2.gz LHYXBFKOFNBUQR-UHFFFAOYSA-N 1 0 385.599 2.033 20 0 GEADRO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000514146331 650573953 /nfs/dbraw/zinc/57/39/53/650573953.db2.gz WVLUTEBNTPDRPF-CQSZACIVSA-N 1 0 380.330 2.360 20 0 GEADRO CC[NH2+]CCCNC(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000514663668 650576010 /nfs/dbraw/zinc/57/60/10/650576010.db2.gz XQUZTCHXMDAUQM-HNNXBMFYSA-N 1 0 388.306 2.132 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1Cl ZINC000514672408 650576203 /nfs/dbraw/zinc/57/62/03/650576203.db2.gz OXQVJXSLJIVPAS-QMTHXVAHSA-N 1 0 397.324 2.376 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000514672407 650576241 /nfs/dbraw/zinc/57/62/41/650576241.db2.gz OXQVJXSLJIVPAS-IINYFYTJSA-N 1 0 397.324 2.376 20 0 GEADRO COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000514673973 650576629 /nfs/dbraw/zinc/57/66/29/650576629.db2.gz MRBOIZCPXLSYBW-ZWNOBZJWSA-N 1 0 397.191 2.233 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000514679542 650576633 /nfs/dbraw/zinc/57/66/33/650576633.db2.gz KYOCUTCRCIGVPY-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO O=C(N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C(=O)NC1C[NH2+]C1 ZINC000514849979 650580818 /nfs/dbraw/zinc/58/08/18/650580818.db2.gz LFSUBDVZQSOVIT-ZDUSSCGKSA-N 1 0 375.778 2.014 20 0 GEADRO COc1c(Br)cc(Br)cc1CN1CCO[C@@H](C[NH3+])C1 ZINC000478050058 650581922 /nfs/dbraw/zinc/58/19/22/650581922.db2.gz ZOLKGZHRVVYSCJ-NSHDSACASA-N 1 0 394.107 2.380 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CCc2cc(Br)ccc21)C[NH+]1CCN(C)CC1 ZINC000514938089 650583729 /nfs/dbraw/zinc/58/37/29/650583729.db2.gz DXRMQKDGSSFFFD-KSSFIOAISA-N 1 0 394.357 2.479 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000514945486 650584180 /nfs/dbraw/zinc/58/41/80/650584180.db2.gz MEQSEBSJQBWUSY-INIZCTEOSA-N 1 0 375.296 2.329 20 0 GEADRO C[NH+]1CCC(NC(=O)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000478432362 650585706 /nfs/dbraw/zinc/58/57/06/650585706.db2.gz IERFUPDUNUQVDC-UHFFFAOYSA-N 1 0 376.320 2.109 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000515140350 650587561 /nfs/dbraw/zinc/58/75/61/650587561.db2.gz PUWGCKLTSYWFEQ-UHFFFAOYSA-N 1 0 382.180 2.214 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000515176213 650588684 /nfs/dbraw/zinc/58/86/84/650588684.db2.gz DETOOHBASRFBJX-COLVAYQJSA-N 1 0 378.416 2.462 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000515176215 650588812 /nfs/dbraw/zinc/58/88/12/650588812.db2.gz DETOOHBASRFBJX-NZVBXONLSA-N 1 0 378.416 2.462 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CCO1 ZINC000478633735 650589167 /nfs/dbraw/zinc/58/91/67/650589167.db2.gz UMVCGUIHXYMYJA-AWEZNQCLSA-N 1 0 382.869 2.481 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CCO1 ZINC000478633736 650589193 /nfs/dbraw/zinc/58/91/93/650589193.db2.gz UMVCGUIHXYMYJA-CQSZACIVSA-N 1 0 382.869 2.481 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCC[N@@H+]1CC[C@@H](C)C1 ZINC000515205136 650589286 /nfs/dbraw/zinc/58/92/86/650589286.db2.gz FQQXHRXFFOWAQR-KGLIPLIRSA-N 1 0 398.345 2.394 20 0 GEADRO COc1ccc(Cl)cc1C1(C[NH2+]C[C@@H](C)S(C)(=O)=O)CCOCC1 ZINC000515207823 650589462 /nfs/dbraw/zinc/58/94/62/650589462.db2.gz SXMCFBKKDHJSGH-CYBMUJFWSA-N 1 0 375.918 2.420 20 0 GEADRO C[N@H+](C[C@H](O)CNC1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000515256034 650590485 /nfs/dbraw/zinc/59/04/85/650590485.db2.gz RDXGDICXUUMNOK-QGZVFWFLSA-N 1 0 383.330 2.500 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000515255090 650590497 /nfs/dbraw/zinc/59/04/97/650590497.db2.gz NASPJEQIYSXMCZ-CQSZACIVSA-N 1 0 398.345 2.297 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)Nc1ncc(Br)cc1S(N)(=O)=O ZINC000515722006 650593578 /nfs/dbraw/zinc/59/35/78/650593578.db2.gz DUNBTBBMRKFUPT-JTQLQIEISA-N 1 0 379.324 2.024 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000515342112 650591980 /nfs/dbraw/zinc/59/19/80/650591980.db2.gz UXHOIWUUQUEQBV-OAHLLOKOSA-N 1 0 386.334 2.287 20 0 GEADRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCSC)cc(Br)c1F ZINC000515352290 650592286 /nfs/dbraw/zinc/59/22/86/650592286.db2.gz UBNSUMJEORCRHD-JTQLQIEISA-N 1 0 379.251 2.394 20 0 GEADRO CCCCNC(=O)[C@H]1CSCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000516661204 650599613 /nfs/dbraw/zinc/59/96/13/650599613.db2.gz MMDGTHKREMKHKB-JKSUJKDBSA-N 1 0 385.599 2.022 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000516337987 650596529 /nfs/dbraw/zinc/59/65/29/650596529.db2.gz CYYOBJWRSCZDCG-UHFFFAOYSA-N 1 0 381.885 2.396 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)C1CCCCC1 ZINC000516660933 650599697 /nfs/dbraw/zinc/59/96/97/650599697.db2.gz HYPZFRDDTUJPLK-OAHLLOKOSA-N 1 0 387.933 2.228 20 0 GEADRO CSC1(CNC(=O)N2CCSC[C@@H]2c2cnn(C)c2)CC[NH+](C)CC1 ZINC000516696215 650600579 /nfs/dbraw/zinc/60/05/79/650600579.db2.gz POSYQPZPEMAFLC-OAHLLOKOSA-N 1 0 383.587 2.047 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000479323285 650601243 /nfs/dbraw/zinc/60/12/43/650601243.db2.gz PWHHYNULFOSJED-ZDUSSCGKSA-N 1 0 386.265 2.381 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000479331279 650601539 /nfs/dbraw/zinc/60/15/39/650601539.db2.gz BEJOXZZRBLOLSG-VXGBXAGGSA-N 1 0 390.347 2.497 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000479354153 650601856 /nfs/dbraw/zinc/60/18/56/650601856.db2.gz AOVZQOHAWWANNN-CYBMUJFWSA-N 1 0 387.571 2.477 20 0 GEADRO COC(=O)C1(CS(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)CCCC1 ZINC000518262220 650603892 /nfs/dbraw/zinc/60/38/92/650603892.db2.gz WDPICPXUDQWFHX-UHFFFAOYSA-N 1 0 388.555 2.175 20 0 GEADRO Ic1ccc([C@H]2CCCN2CCN2CC[NH2+]CC2)cc1 ZINC000518376491 650603966 /nfs/dbraw/zinc/60/39/66/650603966.db2.gz VAYJVRAJQJZDKZ-MRXNPFEDSA-N 1 0 385.293 2.333 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000518795911 650607895 /nfs/dbraw/zinc/60/78/95/650607895.db2.gz JMTLKOZHDZRGGQ-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)[N@H+](C)C1CC1 ZINC000519610610 650609682 /nfs/dbraw/zinc/60/96/82/650609682.db2.gz RGWAITNSJDSDFK-QMTHXVAHSA-N 1 0 380.286 2.474 20 0 GEADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000519698370 650610793 /nfs/dbraw/zinc/61/07/93/650610793.db2.gz GGXUORFMOQTLMH-GOEBONIOSA-N 1 0 385.302 2.037 20 0 GEADRO O=C(NCc1ccc(Br)cc1Cl)NC[C@H]1C[NH2+]CCCO1 ZINC000519808590 650613160 /nfs/dbraw/zinc/61/31/60/650613160.db2.gz INVAJVLGANQMEX-GFCCVEGCSA-N 1 0 376.682 2.280 20 0 GEADRO Cc1nc2cc(Br)cc(NC(=O)NC[C@@H]3C[NH2+]CCCO3)c2o1 ZINC000520199542 650613603 /nfs/dbraw/zinc/61/36/03/650613603.db2.gz XCLIDRWOBCANJY-NSHDSACASA-N 1 0 383.246 2.399 20 0 GEADRO OCCN1CC[NH+](CCCCNc2ncc(Cl)cc2Br)CC1 ZINC000480009458 650614408 /nfs/dbraw/zinc/61/44/08/650614408.db2.gz BWHVVSWPUKJZJA-UHFFFAOYSA-N 1 0 391.741 2.300 20 0 GEADRO C[NH+](C)CCN(C(=O)CCNS(=O)(=O)c1cccs1)c1ccccc1 ZINC000521803228 650620050 /nfs/dbraw/zinc/62/00/50/650620050.db2.gz QIGNUSZXPNDACW-UHFFFAOYSA-N 1 0 381.523 2.011 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N(C)CC[NH+](C)C ZINC000480081478 650615595 /nfs/dbraw/zinc/61/55/95/650615595.db2.gz FUHDUQKTGDWCPK-OAHLLOKOSA-N 1 0 384.318 2.224 20 0 GEADRO COCCOC[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172761 650616755 /nfs/dbraw/zinc/61/67/55/650616755.db2.gz UWEBUCZELPGDED-BXUZGUMPSA-N 1 0 392.315 2.309 20 0 GEADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000521410962 650616838 /nfs/dbraw/zinc/61/68/38/650616838.db2.gz MJCRNYCSAAPMHF-BXUZGUMPSA-N 1 0 385.295 2.116 20 0 GEADRO COCCOC[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172763 650616910 /nfs/dbraw/zinc/61/69/10/650616910.db2.gz UWEBUCZELPGDED-RISCZKNCSA-N 1 0 392.315 2.309 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)c2cc(Br)ccc21 ZINC000480207759 650617660 /nfs/dbraw/zinc/61/76/60/650617660.db2.gz GLNPEGHZCPPFDC-DOMZBBRYSA-N 1 0 385.327 2.494 20 0 GEADRO Cc1nccn1CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480257158 650618533 /nfs/dbraw/zinc/61/85/33/650618533.db2.gz QJDJNYHFGJWWDV-AWEZNQCLSA-N 1 0 384.299 2.462 20 0 GEADRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)c(Br)c1 ZINC000480301350 650619339 /nfs/dbraw/zinc/61/93/39/650619339.db2.gz OKECJNKWFJMTAW-UHFFFAOYSA-N 1 0 377.304 2.222 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000521943268 650620483 /nfs/dbraw/zinc/62/04/83/650620483.db2.gz RXWYTDUEOAOSIR-NSHDSACASA-N 1 0 379.320 2.465 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)NCc2cc(Cl)ccc2Br)nn1 ZINC000521999771 650621650 /nfs/dbraw/zinc/62/16/50/650621650.db2.gz WKQGMDCJGOZDRT-UHFFFAOYSA-N 1 0 386.681 2.363 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(OC)cc1Br ZINC000480488295 650623345 /nfs/dbraw/zinc/62/33/45/650623345.db2.gz QIPIDNSKXIIFOF-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(OC)ccc1Br ZINC000480698285 650628692 /nfs/dbraw/zinc/62/86/92/650628692.db2.gz NJVXUBWZBFIIMD-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(Br)c1 ZINC000480807613 650633123 /nfs/dbraw/zinc/63/31/23/650633123.db2.gz UTFOELIXARDRBU-QMTHXVAHSA-N 1 0 389.315 2.219 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000523597130 650636500 /nfs/dbraw/zinc/63/65/00/650636500.db2.gz XMTRFSOMFZQYPD-NSHDSACASA-N 1 0 386.290 2.360 20 0 GEADRO CC[N@H+](CCNC(=O)COc1ccc(I)cc1)C1CC1 ZINC000523608812 650636503 /nfs/dbraw/zinc/63/65/03/650636503.db2.gz FCQVDRDWYSBDSY-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000481421417 650646127 /nfs/dbraw/zinc/64/61/27/650646127.db2.gz CRKPUWPIIRRIEM-NOZJJQNGSA-N 1 0 381.782 2.394 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1Br ZINC000481338719 650644492 /nfs/dbraw/zinc/64/44/92/650644492.db2.gz DNKUESAKBUPNCE-CQSZACIVSA-N 1 0 393.372 2.473 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1Br ZINC000481338711 650644537 /nfs/dbraw/zinc/64/45/37/650644537.db2.gz DNKUESAKBUPNCE-AWEZNQCLSA-N 1 0 393.372 2.473 20 0 GEADRO CS[C@@H](CO)[C@H](C)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000524801197 650646508 /nfs/dbraw/zinc/64/65/08/650646508.db2.gz DIYBWMXXYYMDPA-GJZGRUSLSA-N 1 0 375.604 2.150 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N(Cc1cccc(Br)c1)C1CC1 ZINC000481553066 650648713 /nfs/dbraw/zinc/64/87/13/650648713.db2.gz XOOKWTNTEYYKFW-QGZVFWFLSA-N 1 0 378.314 2.330 20 0 GEADRO COc1cc(C[N@H+](C)CCCS(=O)(=O)N(C)C)c(SC)cc1OC ZINC000524970752 650648937 /nfs/dbraw/zinc/64/89/37/650648937.db2.gz QJCUDGSFZSYNQY-UHFFFAOYSA-N 1 0 376.544 2.139 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000524970234 650648977 /nfs/dbraw/zinc/64/89/77/650648977.db2.gz 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ZINC000481994241 650657912 /nfs/dbraw/zinc/65/79/12/650657912.db2.gz QSPLRSSDVQTHNE-AWEZNQCLSA-N 1 0 384.889 2.293 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000525850370 650659704 /nfs/dbraw/zinc/65/97/04/650659704.db2.gz SRWDIJNHCCCLMC-CVEARBPZSA-N 1 0 382.302 2.327 20 0 GEADRO C[C@@H]1CCCCN1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482114227 650660317 /nfs/dbraw/zinc/66/03/17/650660317.db2.gz OHZFHJCKFNCBCB-MRXNPFEDSA-N 1 0 375.604 2.447 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000525951788 650661480 /nfs/dbraw/zinc/66/14/80/650661480.db2.gz OZXIOJSBTNRWPR-ZDUSSCGKSA-N 1 0 377.432 2.453 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000526026440 650663322 /nfs/dbraw/zinc/66/33/22/650663322.db2.gz ULFIZYWLOHIQMP-INIZCTEOSA-N 1 0 392.297 2.180 20 0 GEADRO C[N@H+](CC(=O)NCCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCSC1 ZINC000482790334 650668349 /nfs/dbraw/zinc/66/83/49/650668349.db2.gz AOBOUHXCRNDPOO-CYBMUJFWSA-N 1 0 377.432 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CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000484653535 650688688 /nfs/dbraw/zinc/68/86/88/650688688.db2.gz WODOZXBFGIYGMJ-UHOFOFEASA-N 1 0 385.302 2.410 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000484656247 650688697 /nfs/dbraw/zinc/68/86/97/650688697.db2.gz ZQRDWCISSOGIPC-HUUCEWRRSA-N 1 0 392.315 2.006 20 0 GEADRO COc1cc(CNC(=O)[C@H]2C[C@@]2(C)Br)ccc1OCC[NH+](C)C ZINC000528335181 650688981 /nfs/dbraw/zinc/68/89/81/650688981.db2.gz NDVVVYXQCUAVQQ-CXAGYDPISA-N 1 0 385.302 2.425 20 0 GEADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cc(C(F)(F)F)nn2C)CC1 ZINC000528338424 650689058 /nfs/dbraw/zinc/68/90/58/650689058.db2.gz ZGOPSKQFOZZPPW-UHFFFAOYSA-N 1 0 382.452 2.181 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528337411 650689107 /nfs/dbraw/zinc/68/91/07/650689107.db2.gz XKMBCUCRXVQHHH-MNOVXSKESA-N 1 0 382.404 2.355 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000528339156 650689305 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CSCC[C@@H](CO)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000485348434 650695387 /nfs/dbraw/zinc/69/53/87/650695387.db2.gz QBHXEFDEKRHGOM-HNNXBMFYSA-N 1 0 375.604 2.151 20 0 GEADRO Cc1cc(I)ccc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000528663484 650697417 /nfs/dbraw/zinc/69/74/17/650697417.db2.gz QUBPSOKYLGZNER-UHFFFAOYSA-N 1 0 389.237 2.229 20 0 GEADRO [NH3+]CC1(NC(=O)Nc2cc(Br)ccc2-n2cccn2)CCOCC1 ZINC000528682243 650697732 /nfs/dbraw/zinc/69/77/32/650697732.db2.gz SAYZTASTWNDLCM-UHFFFAOYSA-N 1 0 394.273 2.264 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000485838899 650701243 /nfs/dbraw/zinc/70/12/43/650701243.db2.gz HARFDQYWDWWUTM-IINYFYTJSA-N 1 0 388.281 2.222 20 0 GEADRO O=C(c1cc(O)cc(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000529269636 650702089 /nfs/dbraw/zinc/70/20/89/650702089.db2.gz HMROJYWHKAJLQW-OAHLLOKOSA-N 1 0 383.286 2.482 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000529324225 650702708 /nfs/dbraw/zinc/70/27/08/650702708.db2.gz XRJODVRNERITLG-GJZGRUSLSA-N 1 0 386.265 2.327 20 0 GEADRO C[C@@H](NC(=O)N1CCO[C@H](C[NH3+])C1)c1cc(F)c(Br)cc1F ZINC000529349394 650703553 /nfs/dbraw/zinc/70/35/53/650703553.db2.gz KLNQUIGINZPBRT-RKDXNWHRSA-N 1 0 378.217 2.157 20 0 GEADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529719940 650704822 /nfs/dbraw/zinc/70/48/22/650704822.db2.gz YNKYZJHYXRGXKM-LLVKDONJSA-N 1 0 391.946 2.186 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000486000690 650704919 /nfs/dbraw/zinc/70/49/19/650704919.db2.gz HEHFAFLAFMGAII-SMDDNHRTSA-N 1 0 378.274 2.225 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000486050156 650706243 /nfs/dbraw/zinc/70/62/43/650706243.db2.gz CLNNVDQSXQUWMP-TZMCWYRMSA-N 1 0 382.302 2.400 20 0 GEADRO COc1c(Br)cc(C[NH2+]C[C@H]2COCCN2)cc1Br ZINC000530182754 650717456 /nfs/dbraw/zinc/71/74/56/650717456.db2.gz ZMHNZGHDKMMKBJ-JTQLQIEISA-N 1 0 394.107 2.298 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000486669565 650718561 /nfs/dbraw/zinc/71/85/61/650718561.db2.gz GMNJHHHNBFFUIP-IINYFYTJSA-N 1 0 377.279 2.303 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530244251 650719318 /nfs/dbraw/zinc/71/93/18/650719318.db2.gz ZXBGZNBAQBNNHT-IRXDYDNUSA-N 1 0 396.329 2.066 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1COCCN1 ZINC000530246523 650719374 /nfs/dbraw/zinc/71/93/74/650719374.db2.gz IQNXRIHCJJCUCO-HNNXBMFYSA-N 1 0 379.302 2.330 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530244250 650719446 /nfs/dbraw/zinc/71/94/46/650719446.db2.gz ZXBGZNBAQBNNHT-IAGOWNOFSA-N 1 0 396.329 2.066 20 0 GEADRO CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000486804903 650722310 /nfs/dbraw/zinc/72/23/10/650722310.db2.gz MQZXFVMEYIHVOH-AWEZNQCLSA-N 1 0 394.313 2.356 20 0 GEADRO COc1ccc(Br)cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000530917935 650730756 /nfs/dbraw/zinc/73/07/56/650730756.db2.gz CXLYKTKZEFLUAI-CYBMUJFWSA-N 1 0 383.286 2.252 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N(CCO)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000487462588 650734046 /nfs/dbraw/zinc/73/40/46/650734046.db2.gz CJTRDUCGPWZPQW-BBRMVZONSA-N 1 0 384.318 2.436 20 0 GEADRO CCC[C@H]([NH2+]C(C)C)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000487541274 650735359 /nfs/dbraw/zinc/73/53/59/650735359.db2.gz UGMBMFNUBPDZCW-HNNXBMFYSA-N 1 0 384.318 2.462 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000487572825 650735954 /nfs/dbraw/zinc/73/59/54/650735954.db2.gz MGTWVYWLLGARCD-GXFFZTMASA-N 1 0 379.258 2.313 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000531361350 650737507 /nfs/dbraw/zinc/73/75/07/650737507.db2.gz ONPKAYLXXGRQJO-UHFFFAOYSA-N 1 0 395.978 2.260 20 0 GEADRO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000487802285 650738253 /nfs/dbraw/zinc/73/82/53/650738253.db2.gz QTICGALABYCOEH-LBPRGKRZSA-N 1 0 385.306 2.417 20 0 GEADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000487803679 650738289 /nfs/dbraw/zinc/73/82/89/650738289.db2.gz SWUFYNFZBOTWNT-DOMZBBRYSA-N 1 0 397.317 2.416 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C ZINC000487844345 650738371 /nfs/dbraw/zinc/73/83/71/650738371.db2.gz VGSJIQXBGAZYQD-FZMZJTMJSA-N 1 0 383.290 2.170 20 0 GEADRO CO[C@H]1C[NH+](CCC(=O)Nc2ccc(Br)cc2F)C[C@@H]1OC ZINC000487974494 650740659 /nfs/dbraw/zinc/74/06/59/650740659.db2.gz VUTAIOYPOCLJJR-KBPBESRZSA-N 1 0 375.238 2.262 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCOC[C@H]1C ZINC000531705604 650743072 /nfs/dbraw/zinc/74/30/72/650743072.db2.gz WYQMHDLJBFZOHQ-ZIAGYGMSSA-N 1 0 384.318 2.477 20 0 GEADRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532187139 650746030 /nfs/dbraw/zinc/74/60/30/650746030.db2.gz CWJLODKKVVRIGK-OAHLLOKOSA-N 1 0 380.535 2.490 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000016599721 642391005 /nfs/dbraw/zinc/39/10/05/642391005.db2.gz OHRAPFPHGKOZMH-CYBMUJFWSA-N 1 0 394.269 2.191 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cnc3n[nH]c(C)c3c2)c(C)s1 ZINC000532495515 650748890 /nfs/dbraw/zinc/74/88/90/650748890.db2.gz LJHWXTFISMBIJP-UHFFFAOYSA-N 1 0 379.511 2.013 20 0 GEADRO COCCN1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000532514317 650749039 /nfs/dbraw/zinc/74/90/39/650749039.db2.gz MEWCRLPPDIJCND-CZUORRHYSA-N 1 0 384.318 2.477 20 0 GEADRO CC[N@H+](Cc1cccc(Br)c1)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000488799896 650750820 /nfs/dbraw/zinc/75/08/20/650750820.db2.gz XPKGZKSOXLVTTA-DZGCQCFKSA-N 1 0 396.329 2.383 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000489032457 650754060 /nfs/dbraw/zinc/75/40/60/650754060.db2.gz AOGVDISHDCNKJZ-IAQYHMDHSA-N 1 0 386.265 2.158 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000489121438 650754941 /nfs/dbraw/zinc/75/49/41/650754941.db2.gz HDYQIBYDRQIYBD-UHFFFAOYSA-N 1 0 384.293 2.328 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000489160445 650755400 /nfs/dbraw/zinc/75/54/00/650755400.db2.gz ZLCKHZBJADOCTH-NHYWBVRUSA-N 1 0 382.302 2.024 20 0 GEADRO CC[NH+](CC)CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000037142108 642512421 /nfs/dbraw/zinc/51/24/21/642512421.db2.gz MBZGFOSZZDQNSZ-UHFFFAOYSA-N 1 0 395.301 2.007 20 0 GEADRO CCCOc1c(Br)cc(C[NH2+]CCS(C)(=O)=O)cc1OC ZINC000037740762 642514682 /nfs/dbraw/zinc/51/46/82/642514682.db2.gz SFOIHVOUYZODQS-UHFFFAOYSA-N 1 0 380.304 2.381 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000038083408 642516220 /nfs/dbraw/zinc/51/62/20/642516220.db2.gz OXTOCGLQIYCPFB-QWRGUYRKSA-N 1 0 379.263 2.377 20 0 GEADRO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ncc(Br)s1 ZINC000533786275 650765486 /nfs/dbraw/zinc/76/54/86/650765486.db2.gz KJVVYCUYIAQYJB-LLVKDONJSA-N 1 0 389.363 2.499 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc(F)cc1Br ZINC000041890953 642534974 /nfs/dbraw/zinc/53/49/74/642534974.db2.gz DDKBFWJJQZMTDO-JTQLQIEISA-N 1 0 384.249 2.127 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1Cl ZINC000490027986 650766692 /nfs/dbraw/zinc/76/66/92/650766692.db2.gz CECVXDOEAUQSPW-LLVKDONJSA-N 1 0 399.340 2.495 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000042158712 642543475 /nfs/dbraw/zinc/54/34/75/642543475.db2.gz PWYIWOGYXIYJOC-UHFFFAOYSA-N 1 0 389.949 2.487 20 0 GEADRO CC[NH+](CC)[C@H](C)CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000042203163 642545333 /nfs/dbraw/zinc/54/53/33/642545333.db2.gz UHPKAOHXQWNIEV-OCCSQVGLSA-N 1 0 376.954 2.024 20 0 GEADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCN(C)S(C)(=O)=O ZINC000042230112 642545948 /nfs/dbraw/zinc/54/59/48/642545948.db2.gz SDZMPNINQWDVCH-UHFFFAOYSA-N 1 0 388.896 2.344 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490043242 650766898 /nfs/dbraw/zinc/76/68/98/650766898.db2.gz BDVIJFWIECSVNG-STQMWFEESA-N 1 0 378.922 2.230 20 0 GEADRO O=C(COC(=O)c1ccc(Br)s1)NC1CC[NH+](C2CC2)CC1 ZINC000042862024 642557016 /nfs/dbraw/zinc/55/70/16/642557016.db2.gz LFPXTGYVCRDQRN-UHFFFAOYSA-N 1 0 387.299 2.410 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNC(=O)c1ccccc1Br ZINC000043562222 642562268 /nfs/dbraw/zinc/56/22/68/642562268.db2.gz ZETPHQKPIAHMSJ-LLVKDONJSA-N 1 0 385.331 2.042 20 0 GEADRO C[NH+](C)CCNC(=S)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000044196152 642570671 /nfs/dbraw/zinc/57/06/71/642570671.db2.gz AWLLECGQGVKAJD-UHFFFAOYSA-N 1 0 389.352 2.187 20 0 GEADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000044257166 642572640 /nfs/dbraw/zinc/57/26/40/642572640.db2.gz KOPZRUIZAGWVGK-UHFFFAOYSA-N 1 0 376.320 2.339 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cncc(Br)c2)CCCCC1 ZINC000044257280 642572729 /nfs/dbraw/zinc/57/27/29/642572729.db2.gz SNKLRAYGGLKHAE-UHFFFAOYSA-N 1 0 376.320 2.387 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000044492456 642580224 /nfs/dbraw/zinc/58/02/24/642580224.db2.gz SHBILULUPQRSGD-GFCCVEGCSA-N 1 0 377.304 2.268 20 0 GEADRO O=C1c2cc(Br)ccc2S(=O)(=O)N1C1CC[NH+](C2CC2)CC1 ZINC000044645214 642580632 /nfs/dbraw/zinc/58/06/32/642580632.db2.gz BVNYPMRTQJTOBC-UHFFFAOYSA-N 1 0 385.283 2.220 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000489763168 650763035 /nfs/dbraw/zinc/76/30/35/650763035.db2.gz CHIWJDSPRSMTEU-AWEZNQCLSA-N 1 0 375.332 2.426 20 0 GEADRO CC(C)(C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)OCCO ZINC000489762672 650763065 /nfs/dbraw/zinc/76/30/65/650763065.db2.gz BDYQSPQFNOGYQQ-ZDUSSCGKSA-N 1 0 392.315 2.045 20 0 GEADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCNS(C)(=O)=O ZINC000044862386 642583128 /nfs/dbraw/zinc/58/31/28/642583128.db2.gz REQRNDVQUHDLKE-UHFFFAOYSA-N 1 0 384.933 2.480 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C)c2)C[C@H]1[NH+](C)C ZINC000534171015 650769971 /nfs/dbraw/zinc/76/99/71/650769971.db2.gz IJMNFKOIDYECOI-KGLIPLIRSA-N 1 0 393.372 2.424 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000490304107 650771324 /nfs/dbraw/zinc/77/13/24/650771324.db2.gz ZOZVXWRILSFLPH-CJNGLKHVSA-N 1 0 396.329 2.366 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)cnc2c1Cl ZINC000534306330 650772109 /nfs/dbraw/zinc/77/21/09/650772109.db2.gz GUNQZLGWLZJNIY-RYUDHWBXSA-N 1 0 385.921 2.232 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@H]2COc3ccc(Br)cc32)CCSC1 ZINC000533957436 650767709 /nfs/dbraw/zinc/76/77/09/650767709.db2.gz FZHYPUNYMCQVGR-BBRMVZONSA-N 1 0 385.327 2.479 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163559 642677579 /nfs/dbraw/zinc/67/75/79/642677579.db2.gz VALCVKPMYREPQT-QWRGUYRKSA-N 1 0 377.304 2.124 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000052397228 642717118 /nfs/dbraw/zinc/71/71/18/642717118.db2.gz GMMGHFREBUGOJZ-KRWDZBQOSA-N 1 0 384.567 2.065 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000490675459 650778571 /nfs/dbraw/zinc/77/85/71/650778571.db2.gz PLNGNXGEIPEAQD-UHFFFAOYSA-N 1 0 383.286 2.317 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000534684448 650779712 /nfs/dbraw/zinc/77/97/12/650779712.db2.gz SEKVJMZLUPUSIN-MRXNPFEDSA-N 1 0 397.313 2.494 20 0 GEADRO Cc1n[nH]c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000054082240 642747118 /nfs/dbraw/zinc/74/71/18/642747118.db2.gz OQCIXJVQIDOYND-UHFFFAOYSA-N 1 0 381.274 2.351 20 0 GEADRO CS[C@H]1CN(C(=O)CSCc2cn3cc(C)ccc3n2)C[C@@H]1[NH+](C)C ZINC000534825452 650780952 /nfs/dbraw/zinc/78/09/52/650780952.db2.gz FOKLIMXJUFPLNO-HOTGVXAUSA-N 1 0 378.567 2.380 20 0 GEADRO CS[C@@H]1CN(C(=O)CSCc2cn3cc(C)ccc3n2)C[C@@H]1[NH+](C)C ZINC000534825454 650781058 /nfs/dbraw/zinc/78/10/58/650781058.db2.gz FOKLIMXJUFPLNO-JKSUJKDBSA-N 1 0 378.567 2.380 20 0 GEADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000055540325 642773508 /nfs/dbraw/zinc/77/35/08/642773508.db2.gz NMAFUUYCNBNLGL-GFCCVEGCSA-N 1 0 378.416 2.442 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1cc(Br)ccc1=O ZINC000055757741 642782108 /nfs/dbraw/zinc/78/21/08/642782108.db2.gz NXTLAXXZAJSXKY-MGPQQGTHSA-N 1 0 384.318 2.093 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000491066857 650782580 /nfs/dbraw/zinc/78/25/80/650782580.db2.gz OQMCYXCLLGEGKG-LBPRGKRZSA-N 1 0 385.306 2.335 20 0 GEADRO Cc1nn2c(C[NH2+]C3CCN(C(=O)CC(F)(F)F)CC3)c(C)nc2s1 ZINC000535037653 650783371 /nfs/dbraw/zinc/78/33/71/650783371.db2.gz KKOAHCFSFVYLSL-UHFFFAOYSA-N 1 0 375.420 2.441 20 0 GEADRO Clc1cccc(-n2cc(CN3CCN([C@H]4CC[NH2+]C4)CC3)nn2)c1Cl ZINC000491250610 650784627 /nfs/dbraw/zinc/78/46/27/650784627.db2.gz SPXMFEHVEIHONH-AWEZNQCLSA-N 1 0 381.311 2.054 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000062368264 642847874 /nfs/dbraw/zinc/84/78/74/642847874.db2.gz GNGXUCQFMLZVPR-UHFFFAOYSA-N 1 0 397.317 2.371 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(I)cc1 ZINC000063194039 642854600 /nfs/dbraw/zinc/85/46/00/642854600.db2.gz YDLVOKMHLHETBT-MFKMUULPSA-N 1 0 394.278 2.182 20 0 GEADRO Cn1cc(Br)c(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000493374590 650793753 /nfs/dbraw/zinc/79/37/53/650793753.db2.gz VGGKXTTWQKKNAS-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO NC(=O)NC(=O)CCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000065953193 642892913 /nfs/dbraw/zinc/89/29/13/642892913.db2.gz FNMZNKWIYQUHMX-UHFFFAOYSA-N 1 0 384.274 2.020 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000066124967 642898739 /nfs/dbraw/zinc/89/87/39/642898739.db2.gz PCIOXZVUACDLJH-NSHDSACASA-N 1 0 390.347 2.429 20 0 GEADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)C1COC1)c1ccc(C(F)(F)F)cc1 ZINC000493633008 650795362 /nfs/dbraw/zinc/79/53/62/650795362.db2.gz GLGJLIPQHOXHDH-HNNXBMFYSA-N 1 0 380.432 2.407 20 0 GEADRO CCOC(=O)[C@@](C)(O)C[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000494247659 650802629 /nfs/dbraw/zinc/80/26/29/650802629.db2.gz LRDRLFVDTKUXHV-AWEZNQCLSA-N 1 0 380.304 2.273 20 0 GEADRO C[C@H]1C[NH+](CCC(=O)NNC(=O)CSc2ccccc2Cl)C[C@H](C)O1 ZINC000068194571 642987611 /nfs/dbraw/zinc/98/76/11/642987611.db2.gz GNHJFXWZDFVPRN-STQMWFEESA-N 1 0 385.917 2.079 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)([NH+](C)C)C1 ZINC000068116773 642988221 /nfs/dbraw/zinc/98/82/21/642988221.db2.gz OXQHGWCALSBJJT-SJCJKPOMSA-N 1 0 387.933 2.228 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000068340606 642989464 /nfs/dbraw/zinc/98/94/64/642989464.db2.gz GPQQDOORPHERGC-WDEREUQCSA-N 1 0 388.331 2.182 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000068340798 642990125 /nfs/dbraw/zinc/99/01/25/642990125.db2.gz HAEOQBGYDYTWMH-ZIAGYGMSSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000068469233 643001030 /nfs/dbraw/zinc/00/10/30/643001030.db2.gz CXYIMVRKPHTATP-GFCCVEGCSA-N 1 0 385.306 2.417 20 0 GEADRO CN(CC(=O)N1CCC[C@H]([NH+](C)C)C1)C(=O)c1ccc(Br)s1 ZINC000068487213 643001965 /nfs/dbraw/zinc/00/19/65/643001965.db2.gz GZNNDCAGNXAWQS-NSHDSACASA-N 1 0 388.331 2.135 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2sccc2Br)CC1 ZINC000068497509 643003303 /nfs/dbraw/zinc/00/33/03/643003303.db2.gz CTALRADPTNIWDR-UHFFFAOYSA-N 1 0 388.331 2.041 20 0 GEADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(Br)cc2)CN1 ZINC000536545232 650805351 /nfs/dbraw/zinc/80/53/51/650805351.db2.gz GDTCNDKQBCSSSU-LXZKKBNFSA-N 1 0 397.313 2.179 20 0 GEADRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000068980676 643018431 /nfs/dbraw/zinc/01/84/31/643018431.db2.gz KJHCLAGPVRAENM-UHFFFAOYSA-N 1 0 384.523 2.365 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc(Br)c1OC ZINC000069141083 643020771 /nfs/dbraw/zinc/02/07/71/643020771.db2.gz YISDDLJRAFMXER-NSHDSACASA-N 1 0 378.288 2.133 20 0 GEADRO O=C(CC[NH2+]C1(CO)CCOCC1)Nc1ccc(Br)cc1F ZINC000069247310 643026272 /nfs/dbraw/zinc/02/62/72/643026272.db2.gz UCVOXGUNFLIHNK-UHFFFAOYSA-N 1 0 375.238 2.048 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCOc1cccc(Br)c1 ZINC000069577895 643035691 /nfs/dbraw/zinc/03/56/91/643035691.db2.gz QVYPCGIXOLTJGR-HNNXBMFYSA-N 1 0 385.302 2.445 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@]23CCC(=O)N2c2ccccc2S3)C[C@@H]1[NH+](C)C ZINC000536815844 650808096 /nfs/dbraw/zinc/80/80/96/650808096.db2.gz PMDOYSXYHLUBRH-JCKWVBRZSA-N 1 0 377.535 2.119 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000070120601 643048522 /nfs/dbraw/zinc/04/85/22/643048522.db2.gz UTDJZRKSSCKLDG-LBPRGKRZSA-N 1 0 377.304 2.268 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000070173733 643049871 /nfs/dbraw/zinc/04/98/71/643049871.db2.gz IXRJZURBBXHMSM-WDEREUQCSA-N 1 0 394.278 2.039 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1)c1cccs1 ZINC000070723221 643052452 /nfs/dbraw/zinc/05/24/52/643052452.db2.gz ZBYFQEKDOKBVIW-SNVBAGLBSA-N 1 0 381.527 2.255 20 0 GEADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000093685175 643079202 /nfs/dbraw/zinc/07/92/02/643079202.db2.gz XVVHZZMYNFZHPT-LLVKDONJSA-N 1 0 377.432 2.470 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000093985882 643085527 /nfs/dbraw/zinc/08/55/27/643085527.db2.gz XESASANKEISDLV-ZIAGYGMSSA-N 1 0 385.555 2.135 20 0 GEADRO COC(=O)CNC(=O)CC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000537289595 650812471 /nfs/dbraw/zinc/81/24/71/650812471.db2.gz FMLVIJPFWJOWHZ-UHFFFAOYSA-N 1 0 388.295 2.185 20 0 GEADRO Cc1cc(Br)c(NC(=O)CN(C)C2C[NH2+]C2)c(Br)c1 ZINC000097514815 643095798 /nfs/dbraw/zinc/09/57/98/643095798.db2.gz VHOANRKAUSKQDV-UHFFFAOYSA-N 1 0 391.107 2.362 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]C2CC(c3ccc(Br)cc3)C2)nn1 ZINC000494616319 650813075 /nfs/dbraw/zinc/81/30/75/650813075.db2.gz QJEBOJYJWMBCLP-UHFFFAOYSA-N 1 0 379.258 2.249 20 0 GEADRO CC(C)[N@@H+](CC(N)=O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000098130096 643103260 /nfs/dbraw/zinc/10/32/60/643103260.db2.gz MXVVNHDBODFFFK-NSHDSACASA-N 1 0 379.682 2.038 20 0 GEADRO CC(C)[N@@H+](CC(N)=O)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000098130097 643103564 /nfs/dbraw/zinc/10/35/64/643103564.db2.gz MXVVNHDBODFFFK-LLVKDONJSA-N 1 0 379.682 2.038 20 0 GEADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000494643882 650813749 /nfs/dbraw/zinc/81/37/49/650813749.db2.gz VZJYIPBKMBPBQI-INIZCTEOSA-N 1 0 379.551 2.085 20 0 GEADRO C[NH+]1CCC(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000101522553 643105493 /nfs/dbraw/zinc/10/54/93/643105493.db2.gz VKBIKJNETFENSS-CQSZACIVSA-N 1 0 394.313 2.260 20 0 GEADRO CSc1cc(Br)ccc1C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000537614889 650818376 /nfs/dbraw/zinc/81/83/76/650818376.db2.gz JNFJKWWRZOUZHM-OAHLLOKOSA-N 1 0 389.359 2.296 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000494709087 650815160 /nfs/dbraw/zinc/81/51/60/650815160.db2.gz KHOFPZQSDDZEPD-VIFPVBQESA-N 1 0 395.294 2.239 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000537608534 650818486 /nfs/dbraw/zinc/81/84/86/650818486.db2.gz XUKZPHRCGXPDTL-GFCCVEGCSA-N 1 0 383.290 2.029 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000494780364 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JCRQUQSNHRCZLT-LBPRGKRZSA-N 1 0 387.297 2.023 20 0 GEADRO CC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000495201364 650823672 /nfs/dbraw/zinc/82/36/72/650823672.db2.gz KUVFMYVONPGYKN-IAQYHMDHSA-N 1 0 388.249 2.465 20 0 GEADRO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000106861708 643241766 /nfs/dbraw/zinc/24/17/66/643241766.db2.gz DYIKISSKKLYGHE-ZDUSSCGKSA-N 1 0 396.329 2.049 20 0 GEADRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000106865191 643242323 /nfs/dbraw/zinc/24/23/23/643242323.db2.gz UZROAKVCRPTGHZ-RISCZKNCSA-N 1 0 388.249 2.465 20 0 GEADRO CC(C)[C@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)[NH+](C)C ZINC000106914239 643245825 /nfs/dbraw/zinc/24/58/25/643245825.db2.gz POQQSDASUAZKBR-OAHLLOKOSA-N 1 0 384.318 2.271 20 0 GEADRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107302880 643252890 /nfs/dbraw/zinc/25/28/90/643252890.db2.gz SZDUCVMJOZMUKD-NWDGAFQWSA-N 1 0 381.420 2.151 20 0 GEADRO COC(=O)NCCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000107574931 643258384 /nfs/dbraw/zinc/25/83/84/643258384.db2.gz XTXGALUPWTUYEL-UHFFFAOYSA-N 1 0 386.290 2.085 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000107708088 643260832 /nfs/dbraw/zinc/26/08/32/643260832.db2.gz HKILHIXHOAHWKI-OAHLLOKOSA-N 1 0 385.555 2.023 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000108451100 643273819 /nfs/dbraw/zinc/27/38/19/643273819.db2.gz VVTJUBNFGLGIFB-ZDUSSCGKSA-N 1 0 398.301 2.249 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108618008 643279193 /nfs/dbraw/zinc/27/91/93/643279193.db2.gz CACYVEIUQUTPRO-CQSZACIVSA-N 1 0 380.286 2.297 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000108617600 643279436 /nfs/dbraw/zinc/27/94/36/643279436.db2.gz LPOVUGOFFOSRBJ-CYBMUJFWSA-N 1 0 380.286 2.297 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NC[C@@H]3CC[N@@H+](C)C3)CC2=O)ccc1Br ZINC000109848336 643302634 /nfs/dbraw/zinc/30/26/34/643302634.db2.gz ZEZRYWZQLQUJNH-UONOGXRCSA-N 1 0 394.313 2.178 20 0 GEADRO CC[N@H+](CCC1CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)CC1)CC(C)C ZINC000538067131 650829134 /nfs/dbraw/zinc/82/91/34/650829134.db2.gz FCCMIDBVQMHMJB-INIZCTEOSA-N 1 0 375.579 2.209 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000538172189 650831709 /nfs/dbraw/zinc/83/17/09/650831709.db2.gz AAPJOEBEIPSCFG-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO O=C(CN1CSCC1=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000110762352 643319633 /nfs/dbraw/zinc/31/96/33/643319633.db2.gz SVCVLLKCIZAXOX-UHFFFAOYSA-N 1 0 381.929 2.297 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000110932876 643322662 /nfs/dbraw/zinc/32/26/62/643322662.db2.gz XVPLQHSPDQTBCQ-CYBMUJFWSA-N 1 0 380.432 2.403 20 0 GEADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Br)cc1Br ZINC000111304008 643332418 /nfs/dbraw/zinc/33/24/18/643332418.db2.gz ULBIVOUUVJTPCG-MRVPVSSYSA-N 1 0 386.109 2.227 20 0 GEADRO C[C@@H](NCc1cccc(Cl)c1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000111402560 643339384 /nfs/dbraw/zinc/33/93/84/643339384.db2.gz IZFYYYGAYCWRNE-GHMZBOCLSA-N 1 0 379.309 2.022 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000112273733 643357418 /nfs/dbraw/zinc/35/74/18/643357418.db2.gz RASSGYOEGVHXQO-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000112472875 643362368 /nfs/dbraw/zinc/36/23/68/643362368.db2.gz WCHHCDJTDLANON-ZDUSSCGKSA-N 1 0 394.313 2.186 20 0 GEADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000112549447 643365225 /nfs/dbraw/zinc/36/52/25/643365225.db2.gz WGIVZRXVZTVIAZ-QMTHXVAHSA-N 1 0 378.274 2.281 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000497499119 650835237 /nfs/dbraw/zinc/83/52/37/650835237.db2.gz GSHKXZNYXFATAM-UHFFFAOYSA-N 1 0 380.330 2.187 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000113438099 643397870 /nfs/dbraw/zinc/39/78/70/643397870.db2.gz MQCRLTFKEZUJHS-GFCCVEGCSA-N 1 0 386.290 2.153 20 0 GEADRO CCN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H](C)CS(=O)(=O)CC ZINC000113591421 643400808 /nfs/dbraw/zinc/40/08/08/643400808.db2.gz RSNNNRJCUABMTA-DOTOQJQBSA-N 1 0 375.579 2.352 20 0 GEADRO CC(C)C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[NH+](C)C ZINC000114140204 643407360 /nfs/dbraw/zinc/40/73/60/643407360.db2.gz CTUWDCMQSVOROY-OAHLLOKOSA-N 1 0 389.949 2.053 20 0 GEADRO CC(C)C[C@H](CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)[NH+](C)C ZINC000114377731 643415898 /nfs/dbraw/zinc/41/58/98/643415898.db2.gz HMCDYIIHAFIEGN-OAHLLOKOSA-N 1 0 389.949 2.101 20 0 GEADRO CCN(CC)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114498448 643420510 /nfs/dbraw/zinc/42/05/10/643420510.db2.gz DCJYVCSRDQUALK-OAHLLOKOSA-N 1 0 379.448 2.456 20 0 GEADRO C[C@]12CCC(=O)N1[C@H](C(=O)NC1CC[NH+](Cc3ccsc3)CC1)CS2 ZINC000115117614 643430404 /nfs/dbraw/zinc/43/04/04/643430404.db2.gz LFOUQWZJIWAGKG-YJBOKZPZSA-N 1 0 379.551 2.283 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)N(CC)[C@@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC000497772193 650840410 /nfs/dbraw/zinc/84/04/10/650840410.db2.gz ZFOFBAFEVBNXMU-DOTOQJQBSA-N 1 0 375.579 2.352 20 0 GEADRO CCCCN(C(=O)CCS(=O)(=O)N(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000497868060 650840796 /nfs/dbraw/zinc/84/07/96/650840796.db2.gz IFSWINBEZJNFKS-UHFFFAOYSA-N 1 0 375.579 2.206 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000116347037 643458906 /nfs/dbraw/zinc/45/89/06/643458906.db2.gz GFHFWINKNBDSMZ-LLVKDONJSA-N 1 0 377.869 2.152 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000539043698 650841492 /nfs/dbraw/zinc/84/14/92/650841492.db2.gz DYGZOWOAFVVXMS-GHMZBOCLSA-N 1 0 382.404 2.325 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000539083914 650842063 /nfs/dbraw/zinc/84/20/63/650842063.db2.gz PUFIDFGFNOYPCW-RRQGHBQHSA-N 1 0 388.555 2.455 20 0 GEADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NCCN1CC[NH+](C)CC1 ZINC000117234075 643484909 /nfs/dbraw/zinc/48/49/09/643484909.db2.gz HETRYGCJMWCMPY-MRXNPFEDSA-N 1 0 382.346 2.381 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1Cl)C1CC1 ZINC000118101016 643505048 /nfs/dbraw/zinc/50/50/48/643505048.db2.gz DMUNHDSJIKBSRF-CYBMUJFWSA-N 1 0 388.693 2.497 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000118116464 643505780 /nfs/dbraw/zinc/50/57/80/643505780.db2.gz PRRZXXRAUQQTJW-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)N1CCc2ccc(Br)cc21)C(C)C ZINC000118118695 643505936 /nfs/dbraw/zinc/50/59/36/643505936.db2.gz YHDRVSRQRMHEBQ-UHFFFAOYSA-N 1 0 382.302 2.185 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000539821053 650850467 /nfs/dbraw/zinc/85/04/67/650850467.db2.gz WVNABOKOGHHEMV-HNNXBMFYSA-N 1 0 384.311 2.463 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000119054785 643532212 /nfs/dbraw/zinc/53/22/12/643532212.db2.gz CBJMWDRKOHHDDV-UHFFFAOYSA-N 1 0 380.290 2.492 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000498198049 650850535 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Cn1cc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc(Br)c1=O ZINC000119716589 643568107 /nfs/dbraw/zinc/56/81/07/643568107.db2.gz FYCNZBXGDBFLQM-UHFFFAOYSA-N 1 0 398.301 2.121 20 0 GEADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000498190612 650850212 /nfs/dbraw/zinc/85/02/12/650850212.db2.gz DNXANPOGZQSYEK-DCGLDWPTSA-N 1 0 385.302 2.213 20 0 GEADRO CC(C)[C@@H](CNC(=O)Nc1cccnc1Br)[NH+]1CCN(C)CC1 ZINC000120160623 643594718 /nfs/dbraw/zinc/59/47/18/643594718.db2.gz MRWHMJBEZQNWBT-CQSZACIVSA-N 1 0 384.322 2.238 20 0 GEADRO COc1cc(C(=O)NCCN2CCC([NH+](C)C)CC2)sc1Br ZINC000120413664 643605177 /nfs/dbraw/zinc/60/51/77/643605177.db2.gz NIJATWMEUFXFJA-UHFFFAOYSA-N 1 0 390.347 2.275 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000120565624 643619680 /nfs/dbraw/zinc/61/96/80/643619680.db2.gz PXGYMKNCHCZAJF-YPMHNXCESA-N 1 0 398.301 2.337 20 0 GEADRO O=Cc1ccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000120828081 643625256 /nfs/dbraw/zinc/62/52/56/643625256.db2.gz 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JXPBOWLUQKXSLZ-CYBMUJFWSA-N 1 0 386.901 2.233 20 0 GEADRO CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C)[C@H](C)CS(=O)(=O)CC ZINC000151845258 643956372 /nfs/dbraw/zinc/95/63/72/643956372.db2.gz SUVIFRAUEKBAJU-SJORKVTESA-N 1 0 375.579 2.352 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCc2c(Cl)cccc21)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000541777302 650880222 /nfs/dbraw/zinc/88/02/22/650880222.db2.gz DHDUAVGADYQWOX-DCGLDWPTSA-N 1 0 384.929 2.246 20 0 GEADRO Cc1nn(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)c1Br ZINC000152589333 643970682 /nfs/dbraw/zinc/97/06/82/643970682.db2.gz PWLFCDSCLBTSFK-MRXNPFEDSA-N 1 0 384.366 2.322 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cncc(Br)c1)C1CCCCC1 ZINC000153584250 643995103 /nfs/dbraw/zinc/99/51/03/643995103.db2.gz PGALUCNJKZASML-HNNXBMFYSA-N 1 0 397.317 2.409 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000153853775 644008699 /nfs/dbraw/zinc/00/86/99/644008699.db2.gz HGSNYZBYVOITNE-ZDUSSCGKSA-N 1 0 378.270 2.169 20 0 GEADRO 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Cc1csc(C2CC[NH+](CCOc3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC000156698164 644113186 /nfs/dbraw/zinc/11/31/86/644113186.db2.gz BYMBQEUMNODMCO-UHFFFAOYSA-N 1 0 381.523 2.357 20 0 GEADRO O=C(NCC[NH+]1CCCCCC1)c1cc(Cn2cc(Br)cn2)on1 ZINC000157053884 644128815 /nfs/dbraw/zinc/12/88/15/644128815.db2.gz RCEYRBHHDITJRQ-UHFFFAOYSA-N 1 0 396.289 2.288 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000157283561 644133209 /nfs/dbraw/zinc/13/32/09/644133209.db2.gz MQWUSVPBOBNCSJ-CQSZACIVSA-N 1 0 382.302 2.056 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC000500075649 650895320 /nfs/dbraw/zinc/89/53/20/650895320.db2.gz QBCCVACUWOBOKM-UHFFFAOYSA-N 1 0 390.272 2.323 20 0 GEADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158813401 644161655 /nfs/dbraw/zinc/16/16/55/644161655.db2.gz MCFWLMKKRXLRBV-KRWDZBQOSA-N 1 0 376.254 2.116 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000500089106 650896221 /nfs/dbraw/zinc/89/62/21/650896221.db2.gz XWGGBIRYGOTPJT-AWEZNQCLSA-N 1 0 386.290 2.378 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)[C@H](C)C1 ZINC000158887079 644165484 /nfs/dbraw/zinc/16/54/84/644165484.db2.gz UUPOHMQWUYOQQZ-IUODEOHRSA-N 1 0 388.917 2.477 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000159060229 644174391 /nfs/dbraw/zinc/17/43/91/644174391.db2.gz IRPCHCZKEOKJSF-YOEHRIQHSA-N 1 0 396.329 2.474 20 0 GEADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000159190995 644179616 /nfs/dbraw/zinc/17/96/16/644179616.db2.gz CAYCDNZBORTXEV-CQSZACIVSA-N 1 0 379.254 2.191 20 0 GEADRO C[NH+](C)CCOc1cccc(CNC(=O)c2csc(S(C)(=O)=O)c2)c1 ZINC000159198628 644180235 /nfs/dbraw/zinc/18/02/35/644180235.db2.gz ACPWSWMSWGVBBO-UHFFFAOYSA-N 1 0 382.507 2.022 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2nnsc2Cl)CC1 ZINC000159327360 644187829 /nfs/dbraw/zinc/18/78/29/644187829.db2.gz YMFMNXKTHWGUNW-UHFFFAOYSA-N 1 0 385.965 2.396 20 0 GEADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccccc1OC(F)F ZINC000159934031 644196425 /nfs/dbraw/zinc/19/64/25/644196425.db2.gz LXUZGDBPCXOMTG-CYBMUJFWSA-N 1 0 376.469 2.448 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000543096939 650899370 /nfs/dbraw/zinc/89/93/70/650899370.db2.gz FEKCBRGSFLZFJT-LBPRGKRZSA-N 1 0 388.295 2.359 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000161671615 644214894 /nfs/dbraw/zinc/21/48/94/644214894.db2.gz BTIAKNFOMUWNGF-CYBMUJFWSA-N 1 0 381.325 2.365 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccnc(Cl)c1 ZINC000161966381 644227257 /nfs/dbraw/zinc/22/72/57/644227257.db2.gz UZGBYSNULZEKJA-LLVKDONJSA-N 1 0 384.845 2.272 20 0 GEADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000161987289 644228056 /nfs/dbraw/zinc/22/80/56/644228056.db2.gz MTONEJBINHKIEV-UHFFFAOYSA-N 1 0 392.656 2.344 20 0 GEADRO NC(=O)[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000162020899 644229652 /nfs/dbraw/zinc/22/96/52/644229652.db2.gz HKLHBWJZEPAMDY-RYUDHWBXSA-N 1 0 380.208 2.202 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000162036779 644229910 /nfs/dbraw/zinc/22/99/10/644229910.db2.gz DEEQYNPQEHUASG-GFCCVEGCSA-N 1 0 377.279 2.447 20 0 GEADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000162252296 644233974 /nfs/dbraw/zinc/23/39/74/644233974.db2.gz JXHUHKFDMKKTPT-UHFFFAOYSA-N 1 0 388.917 2.104 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000163375804 644254052 /nfs/dbraw/zinc/25/40/52/644254052.db2.gz NOSSDVHPKLCIOB-UHFFFAOYSA-N 1 0 396.329 2.384 20 0 GEADRO C[C@@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000163908230 644258473 /nfs/dbraw/zinc/25/84/73/644258473.db2.gz WLJIGLYOAKPFDE-OLZOCXBDSA-N 1 0 375.332 2.140 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000164165567 644259685 /nfs/dbraw/zinc/25/96/85/644259685.db2.gz MWLOIFYIQMTEDT-DOMZBBRYSA-N 1 0 381.318 2.466 20 0 GEADRO CNC(=O)CC[N@H+](C)CCCOc1cccc(I)c1 ZINC000170780842 644285535 /nfs/dbraw/zinc/28/55/35/644285535.db2.gz XCQJNNUKZKASRQ-UHFFFAOYSA-N 1 0 376.238 2.128 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)COc2cccc(Br)c2)CC1 ZINC000171126658 644313083 /nfs/dbraw/zinc/31/30/83/644313083.db2.gz VSNZFCXHTHSDLW-UHFFFAOYSA-N 1 0 385.302 2.445 20 0 GEADRO C[C@H](CNC(=O)c1cc2c(cccc2Br)[nH]1)N1CC[NH+](C)CC1 ZINC000171133431 644313450 /nfs/dbraw/zinc/31/34/50/644313450.db2.gz ZEUJTAQLXHZORX-GFCCVEGCSA-N 1 0 379.302 2.296 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000171356343 644320030 /nfs/dbraw/zinc/32/00/30/644320030.db2.gz BKTSXFQCWVRNDB-ZBFHGGJFSA-N 1 0 381.318 2.421 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000171468196 644324097 /nfs/dbraw/zinc/32/40/97/644324097.db2.gz ADHYZWFMDJZCCS-UHFFFAOYSA-N 1 0 398.301 2.196 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000173262124 644355007 /nfs/dbraw/zinc/35/50/07/644355007.db2.gz VBAWMIDMVNYHSI-IUODEOHRSA-N 1 0 388.917 2.477 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000173584165 644360041 /nfs/dbraw/zinc/36/00/41/644360041.db2.gz NOCAVBWMOQSPOD-OAHLLOKOSA-N 1 0 378.300 2.294 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(Cn2nc(Br)nc2Br)C1 ZINC000175238004 644386936 /nfs/dbraw/zinc/38/69/36/644386936.db2.gz IOMOTHFXMSVCRH-JTQLQIEISA-N 1 0 395.143 2.424 20 0 GEADRO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+](C)C[C@@H]3CCOC3)c2c1 ZINC000176101676 644398027 /nfs/dbraw/zinc/39/80/27/644398027.db2.gz WSGGGWFIBBBYKD-LBPRGKRZSA-N 1 0 385.511 2.140 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1cccn2c(I)cnc12 ZINC000176797834 644405499 /nfs/dbraw/zinc/40/54/99/644405499.db2.gz JXYCDLJJWAUBBP-UHFFFAOYSA-N 1 0 386.237 2.011 20 0 GEADRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000178579824 644434562 /nfs/dbraw/zinc/43/45/62/644434562.db2.gz YSZPMQHBSSJVAR-KBPBESRZSA-N 1 0 376.544 2.355 20 0 GEADRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1)N1CCOCC1 ZINC000178580423 644435467 /nfs/dbraw/zinc/43/54/67/644435467.db2.gz VWGQAWFDPUNIQV-WMLDXEAASA-N 1 0 397.313 2.053 20 0 GEADRO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000179460838 644461162 /nfs/dbraw/zinc/46/11/62/644461162.db2.gz NPDPCAWBMBNXMR-XHDPSFHLSA-N 1 0 384.274 2.186 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179556728 644463774 /nfs/dbraw/zinc/46/37/74/644463774.db2.gz KPFWGKUDHCGCFS-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000179728638 644472641 /nfs/dbraw/zinc/47/26/41/644472641.db2.gz SFOALAKTNAUMRX-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000180057714 644484552 /nfs/dbraw/zinc/48/45/52/644484552.db2.gz HVIVRRHONWLMRY-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO O=C(NNc1cc[nH+]cc1)c1cccn2c(I)cnc12 ZINC000180459729 644503957 /nfs/dbraw/zinc/50/39/57/644503957.db2.gz SWRHKRJXVAPHCD-UHFFFAOYSA-N 1 0 379.161 2.091 20 0 GEADRO O=C(NNc1cc[nH+]cc1)c1cc([N+](=O)[O-])ccc1I ZINC000180479173 644504924 /nfs/dbraw/zinc/50/49/24/644504924.db2.gz WWKFXHFYYQILMX-UHFFFAOYSA-N 1 0 384.133 2.351 20 0 GEADRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)Cn2cc(Br)cn2)ncn1 ZINC000180571314 644507886 /nfs/dbraw/zinc/50/78/86/644507886.db2.gz SAUMZCRGKQYFQY-TZMCWYRMSA-N 1 0 394.321 2.124 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000181151970 644527143 /nfs/dbraw/zinc/52/71/43/644527143.db2.gz PZUBDZGBBRKISW-ZDUSSCGKSA-N 1 0 393.285 2.439 20 0 GEADRO CCOC1CC([NH2+]C[C@H](O)COc2ccc(I)cc2)C1 ZINC000544033899 650931481 /nfs/dbraw/zinc/93/14/81/650931481.db2.gz XKUFFRQEFJGRSA-OWYJLGKBSA-N 1 0 391.249 2.188 20 0 GEADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000544598087 650945247 /nfs/dbraw/zinc/94/52/47/650945247.db2.gz VUVRPOFCSGWEDE-UHFFFAOYSA-N 1 0 385.917 2.331 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000544835618 650955243 /nfs/dbraw/zinc/95/52/43/650955243.db2.gz VQQIBXPNHYCUHO-LBPRGKRZSA-N 1 0 377.304 2.172 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000181852456 644949505 /nfs/dbraw/zinc/94/95/05/644949505.db2.gz LIPDGFUEFYEQEG-UHFFFAOYSA-N 1 0 375.803 2.338 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)CC(=O)NCC(F)(F)F)cc1Cl ZINC000182024783 644956183 /nfs/dbraw/zinc/95/61/83/644956183.db2.gz PTGUOFHFKXNEFC-UHFFFAOYSA-N 1 0 381.782 2.288 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Br)nc1)[NH+]1CCCCC1 ZINC000182142957 644957576 /nfs/dbraw/zinc/95/75/76/644957576.db2.gz GIQWVKNUNHAJTL-LBPRGKRZSA-N 1 0 383.290 2.163 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cnc1Br ZINC000182846932 644973126 /nfs/dbraw/zinc/97/31/26/644973126.db2.gz FJYLOUFTMDFHSS-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000183151632 644981904 /nfs/dbraw/zinc/98/19/04/644981904.db2.gz AEVKLHXCYKHLND-SECBINFHSA-N 1 0 383.258 2.490 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000183164044 644982604 /nfs/dbraw/zinc/98/26/04/644982604.db2.gz CUOKUMLUSVKKAK-GFCCVEGCSA-N 1 0 390.347 2.183 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000183176177 644983969 /nfs/dbraw/zinc/98/39/69/644983969.db2.gz AWRCGIZHVRKZBM-PWSUYJOCSA-N 1 0 389.315 2.400 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183186615 644985254 /nfs/dbraw/zinc/98/52/54/644985254.db2.gz ZOIWHIKVTKAJQY-UUOWRZLLSA-N 1 0 380.535 2.146 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000183558650 644997571 /nfs/dbraw/zinc/99/75/71/644997571.db2.gz QWPJIGLKWXCLEP-LLVKDONJSA-N 1 0 375.803 2.433 20 0 GEADRO COc1cc(C[NH2+][C@H](C)C[S@@](C)=O)cc(I)c1OC ZINC000184261071 645013990 /nfs/dbraw/zinc/01/39/90/645013990.db2.gz QNZMQPRRCFQVLT-AYLIAGHASA-N 1 0 397.278 2.165 20 0 GEADRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000545504163 650977111 /nfs/dbraw/zinc/97/71/11/650977111.db2.gz AQVGNHJKCVUXPA-CHWSQXEVSA-N 1 0 388.295 2.269 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000184963972 645029789 /nfs/dbraw/zinc/02/97/89/645029789.db2.gz UPNIRABCEDBHQY-SNVBAGLBSA-N 1 0 377.304 2.229 20 0 GEADRO C[C@@H](c1ccsc1)N1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000185129690 645035886 /nfs/dbraw/zinc/03/58/86/645035886.db2.gz CMLOPRCYDLCULL-NSHDSACASA-N 1 0 379.404 2.242 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NNc1ccc(Br)c(F)c1 ZINC000185373049 645043107 /nfs/dbraw/zinc/04/31/07/645043107.db2.gz HSWJXGMGCAJEEH-LBPRGKRZSA-N 1 0 389.269 2.325 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Br)cc(F)c1[O-] ZINC000186039717 645058177 /nfs/dbraw/zinc/05/81/77/645058177.db2.gz KKALWJZDFYDZFP-HXPJWWMGSA-N 1 0 398.232 2.471 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(I)c(O)c1 ZINC000545463702 650975407 /nfs/dbraw/zinc/97/54/07/650975407.db2.gz DIOCZTSPTBINEK-UHFFFAOYSA-N 1 0 386.233 2.353 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000186937999 645077416 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NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000188100981 645107257 /nfs/dbraw/zinc/10/72/57/645107257.db2.gz UXHNWEYOAHNEPS-UHFFFAOYSA-N 1 0 375.603 2.300 20 0 GEADRO C[C@H]1CN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000188759318 645124466 /nfs/dbraw/zinc/12/44/66/645124466.db2.gz KNVYUDFYFHRGOE-XHDPSFHLSA-N 1 0 375.296 2.330 20 0 GEADRO Cc1ccc(S(=O)(=O)NCc2ccccc2OCC[NH+](C)C)c(Cl)n1 ZINC000189566803 645138464 /nfs/dbraw/zinc/13/84/64/645138464.db2.gz BKGBJXSMJJJXAP-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1Br ZINC000190365693 645153791 /nfs/dbraw/zinc/15/37/91/645153791.db2.gz BAHFUQXAHSVORB-LBPRGKRZSA-N 1 0 398.301 2.196 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000190618512 645161265 /nfs/dbraw/zinc/16/12/65/645161265.db2.gz CDQRCANCKSMERK-OCCSQVGLSA-N 1 0 376.906 2.078 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192364693 645200639 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2.356 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000192685717 645221487 /nfs/dbraw/zinc/22/14/87/645221487.db2.gz XNXJLTSNBSEGFM-HZMBPMFUSA-N 1 0 379.295 2.396 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000192921615 645230276 /nfs/dbraw/zinc/23/02/76/645230276.db2.gz JZJSWECYRQDQAM-AWEZNQCLSA-N 1 0 397.317 2.409 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000192966398 645234724 /nfs/dbraw/zinc/23/47/24/645234724.db2.gz QLKHANFDKHLILN-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000193098087 645241423 /nfs/dbraw/zinc/24/14/23/645241423.db2.gz GYSWMKFDRWEDFF-UHFFFAOYSA-N 1 0 391.299 2.199 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000193104072 645241783 /nfs/dbraw/zinc/24/17/83/645241783.db2.gz XMTZNUYPVDKRKV-GFCCVEGCSA-N 1 0 380.341 2.298 20 0 GEADRO O=S(=O)(NCC[NH2+]C1CC1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193258332 645257167 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[NH3+][C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C1 ZINC000193313699 645266322 /nfs/dbraw/zinc/26/63/22/645266322.db2.gz RFKNVUZDLCMWLM-HUUCEWRRSA-N 1 0 388.917 2.400 20 0 GEADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)C1 ZINC000193327253 645267348 /nfs/dbraw/zinc/26/73/48/645267348.db2.gz LMYIZHYWZHMRAT-NSHDSACASA-N 1 0 377.304 2.139 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193410076 645270192 /nfs/dbraw/zinc/27/01/92/645270192.db2.gz PXQDKPYBTTYSGD-KCJUWKMLSA-N 1 0 397.722 2.387 20 0 GEADRO COc1ccsc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000193440678 645273428 /nfs/dbraw/zinc/27/34/28/645273428.db2.gz CXWWIUGZZGMEQY-SMDDNHRTSA-N 1 0 388.461 2.459 20 0 GEADRO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000546212245 650995950 /nfs/dbraw/zinc/99/59/50/650995950.db2.gz HVBRNCUEKFXRBC-UONOGXRCSA-N 1 0 388.295 2.269 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1Br ZINC000193493034 645278369 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CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000194664575 645341310 /nfs/dbraw/zinc/34/13/10/645341310.db2.gz CFHMIJFZFNCFBV-LLVKDONJSA-N 1 0 388.331 2.183 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000194663613 645341504 /nfs/dbraw/zinc/34/15/04/645341504.db2.gz JIRLKNDAORNBNQ-ZBFHGGJFSA-N 1 0 394.313 2.403 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194698454 645343246 /nfs/dbraw/zinc/34/32/46/645343246.db2.gz SWMMHNZNNKKXIO-LRDDRELGSA-N 1 0 397.313 2.056 20 0 GEADRO [NH3+]CCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000194743850 645346547 /nfs/dbraw/zinc/34/65/47/645346547.db2.gz FYTBLEGXGUHXSX-UHFFFAOYSA-N 1 0 391.209 2.365 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)ccc1Br ZINC000194775189 645348426 /nfs/dbraw/zinc/34/84/26/645348426.db2.gz NIXZWXMHWKAZSF-OAHLLOKOSA-N 1 0 389.315 2.448 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000546585248 651003429 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O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236570889 645411875 /nfs/dbraw/zinc/41/18/75/645411875.db2.gz DQBILEYSXOJSII-HIFRSBDPSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000236570044 645412043 /nfs/dbraw/zinc/41/20/43/645412043.db2.gz CLDCUDGGVRORCA-OAHLLOKOSA-N 1 0 393.285 2.401 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236579530 645412517 /nfs/dbraw/zinc/41/25/17/645412517.db2.gz SDFVETLIIGFPMZ-KBPBESRZSA-N 1 0 394.313 2.308 20 0 GEADRO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCc2cccc(Br)c2C1 ZINC000236583954 645413033 /nfs/dbraw/zinc/41/30/33/645413033.db2.gz UNNIDXGKAPJNJF-UHFFFAOYSA-N 1 0 390.285 2.164 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236589736 645413132 /nfs/dbraw/zinc/41/31/32/645413132.db2.gz GAGHMQRWHMTOCO-HIFRSBDPSA-N 1 0 382.302 2.292 20 0 GEADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)N[C@@H]1CCC[NH2+]C1 ZINC000236595505 645413146 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Cc1ccc(-n2cnnc2SCC(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1Cl ZINC000264236546 645672218 /nfs/dbraw/zinc/67/22/18/645672218.db2.gz DJNDQIVVPGJOSH-ZDUSSCGKSA-N 1 0 379.917 2.389 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000264551703 645691088 /nfs/dbraw/zinc/69/10/88/645691088.db2.gz RVCDPLUMQKMYEQ-HNNXBMFYSA-N 1 0 381.318 2.086 20 0 GEADRO COc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1Br ZINC000264687746 645702590 /nfs/dbraw/zinc/70/25/90/645702590.db2.gz CSOOVTDWYKVMDP-JSGCOSHPSA-N 1 0 399.333 2.064 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000264709504 645705552 /nfs/dbraw/zinc/70/55/52/645705552.db2.gz BZVKHWMCHGUTJS-MRXNPFEDSA-N 1 0 397.361 2.315 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCOc1cccc(Br)c1 ZINC000264765449 645713314 /nfs/dbraw/zinc/71/33/14/645713314.db2.gz OGNTZWDQPOVVJN-UHFFFAOYSA-N 1 0 398.345 2.314 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000264818415 645721318 /nfs/dbraw/zinc/72/13/18/645721318.db2.gz 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C[NH+](C)[C@@]1(CNC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CCSC1 ZINC000267114044 645884065 /nfs/dbraw/zinc/88/40/65/645884065.db2.gz NZLWSZWXRNJSRE-QGZVFWFLSA-N 1 0 384.571 2.224 20 0 GEADRO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1Br ZINC000267234172 645890542 /nfs/dbraw/zinc/89/05/42/645890542.db2.gz WKBAIIFTWSFGRD-VXGBXAGGSA-N 1 0 386.290 2.377 20 0 GEADRO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Br ZINC000267234170 645890660 /nfs/dbraw/zinc/89/06/60/645890660.db2.gz WKBAIIFTWSFGRD-NWDGAFQWSA-N 1 0 386.290 2.377 20 0 GEADRO CN(CC[NH+](C)C)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000267259857 645893145 /nfs/dbraw/zinc/89/31/45/645893145.db2.gz ZMBVFSOIYLHMAG-UHFFFAOYSA-N 1 0 378.786 2.105 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000267297601 645896209 /nfs/dbraw/zinc/89/62/09/645896209.db2.gz TZBRDZPSBSKWCH-UKRRQHHQSA-N 1 0 382.917 2.262 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)NCc2csc(Br)c2)CC1 ZINC000267303038 645896686 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CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(Cl)cc1Br ZINC000268679992 645988113 /nfs/dbraw/zinc/98/81/13/645988113.db2.gz DLLFBMDMCRPMBW-LLVKDONJSA-N 1 0 375.698 2.470 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000268693053 645989541 /nfs/dbraw/zinc/98/95/41/645989541.db2.gz HWLNQXGGSPHIOS-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000268784105 645998650 /nfs/dbraw/zinc/99/86/50/645998650.db2.gz DGSJFCPINKEDTK-GXTWGEPZSA-N 1 0 386.309 2.129 20 0 GEADRO COc1cc([C@H](C)[NH2+]CCN2CCSCC2)ccc1S(=O)(=O)C(F)F ZINC000268877499 646002377 /nfs/dbraw/zinc/00/23/77/646002377.db2.gz KPIAIVBZYMJYJH-LBPRGKRZSA-N 1 0 394.509 2.391 20 0 GEADRO COc1cc([C@H](C)[NH2+]CCSCCCO)ccc1S(=O)(=O)C(F)F ZINC000268927293 646007147 /nfs/dbraw/zinc/00/71/47/646007147.db2.gz YOGRNSCXYBQZFM-NSHDSACASA-N 1 0 383.482 2.458 20 0 GEADRO COC(=O)CC1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000269034753 646010947 /nfs/dbraw/zinc/01/09/47/646010947.db2.gz CWIACGIOWHDQEJ-ZDUSSCGKSA-N 1 0 392.279 2.435 20 0 GEADRO Cc1c(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000269189409 646021534 /nfs/dbraw/zinc/02/15/34/646021534.db2.gz JZDFSOXTQXKPDS-YPMHNXCESA-N 1 0 392.301 2.456 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2=O)ccc1Br ZINC000269234770 646023598 /nfs/dbraw/zinc/02/35/98/646023598.db2.gz WIHVENXESARUDO-IOASZLSFSA-N 1 0 394.313 2.306 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000269239273 646024189 /nfs/dbraw/zinc/02/41/89/646024189.db2.gz XVVZDGRGOZIZGU-STQMWFEESA-N 1 0 387.933 2.180 20 0 GEADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000269277802 646024222 /nfs/dbraw/zinc/02/42/22/646024222.db2.gz YFCGLVYPIRPSEU-CDMKHQONSA-N 1 0 378.274 2.257 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000269496811 646041244 /nfs/dbraw/zinc/04/12/44/646041244.db2.gz PRSKHRAZEZIIDA-CYBMUJFWSA-N 1 0 382.917 2.491 20 0 GEADRO CCOCCOc1ccc(Br)cc1CNC[C@@](C)(O)C[NH+](C)C ZINC000269819520 646063656 /nfs/dbraw/zinc/06/36/56/646063656.db2.gz OXUJWJMJVMXDEC-QGZVFWFLSA-N 1 0 389.334 2.267 20 0 GEADRO CCS(=O)(=O)NCCC[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000270022499 646084335 /nfs/dbraw/zinc/08/43/35/646084335.db2.gz RWOKHCABRKYYIH-UHFFFAOYSA-N 1 0 376.544 2.187 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cncc(Br)c2)CCCCC1 ZINC000270222813 646093749 /nfs/dbraw/zinc/09/37/49/646093749.db2.gz SJSWDJOXMSILDE-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cncc(Br)c3)C2)CC1 ZINC000270269227 646098580 /nfs/dbraw/zinc/09/85/80/646098580.db2.gz VPFJGLWRZNMFPK-CYBMUJFWSA-N 1 0 388.331 2.197 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)C)cc1 ZINC000270598389 646124120 /nfs/dbraw/zinc/12/41/20/646124120.db2.gz LKSKQOZIZGZSPA-OAHLLOKOSA-N 1 0 390.571 2.191 20 0 GEADRO CS[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1[NH+](C)C ZINC000270618570 646125801 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Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000271748289 646227597 /nfs/dbraw/zinc/22/75/97/646227597.db2.gz GZJMNPZTNUFGOF-GXTWGEPZSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000271780948 646230928 /nfs/dbraw/zinc/23/09/28/646230928.db2.gz BNYSEXBDXPSMII-UHFFFAOYSA-N 1 0 395.301 2.257 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c(Br)c1 ZINC000271857130 646235527 /nfs/dbraw/zinc/23/55/27/646235527.db2.gz JOQGIVVJXPUOEN-WBMJQRKESA-N 1 0 384.318 2.448 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000271930992 646242550 /nfs/dbraw/zinc/24/25/50/646242550.db2.gz MJDXJRLWZMRZJJ-UHFFFAOYSA-N 1 0 377.901 2.265 20 0 GEADRO Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000271948685 646243839 /nfs/dbraw/zinc/24/38/39/646243839.db2.gz CWZZXVFRNLYBQV-YOEHRIQHSA-N 1 0 375.437 2.422 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1csc(Br)c1)CCO2 ZINC000272063998 646252318 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COc1cc(I)c(Cl)cc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000273004399 646296166 /nfs/dbraw/zinc/29/61/66/646296166.db2.gz HXXWGSBUHZKHMM-MRVPVSSYSA-N 1 0 394.640 2.293 20 0 GEADRO O=C1[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CCN1CC(F)(F)F ZINC000273102593 646304032 /nfs/dbraw/zinc/30/40/32/646304032.db2.gz MLYDNHZQQUBCLU-NEPJUHHUSA-N 1 0 381.192 2.235 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCC1 ZINC000275468741 646354516 /nfs/dbraw/zinc/35/45/16/646354516.db2.gz AKLXLSDMOOJCPL-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000275758765 646358304 /nfs/dbraw/zinc/35/83/04/646358304.db2.gz ZOOLHBPSWJDJLI-LBPRGKRZSA-N 1 0 398.301 2.196 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000276019699 646365135 /nfs/dbraw/zinc/36/51/35/646365135.db2.gz KMFUEOCTWKQQSP-NHYWBVRUSA-N 1 0 398.301 2.195 20 0 GEADRO CN1C(=O)C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000277107773 646377658 /nfs/dbraw/zinc/37/76/58/646377658.db2.gz UUEJGHXKFVLMMC-RISCZKNCSA-N 1 0 381.757 2.019 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277214419 646390004 /nfs/dbraw/zinc/39/00/04/646390004.db2.gz YGIYACVKXIVVQL-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277285124 646398204 /nfs/dbraw/zinc/39/82/04/646398204.db2.gz NTUSVNTUYZZRCA-ZDUSSCGKSA-N 1 0 387.933 2.147 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)c(C)n(C)c2=O)C1 ZINC000277372553 646409518 /nfs/dbraw/zinc/40/95/18/646409518.db2.gz HRVWSVRHHQJXPW-CYBMUJFWSA-N 1 0 384.318 2.260 20 0 GEADRO CC[NH+](CC)CCSCC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277421975 646417389 /nfs/dbraw/zinc/41/73/89/646417389.db2.gz VAHSVAWOONWCQK-UHFFFAOYSA-N 1 0 392.974 2.435 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000277603563 646449819 /nfs/dbraw/zinc/44/98/19/646449819.db2.gz PBIDSDYIRVMKKS-CZUORRHYSA-N 1 0 396.329 2.397 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c(C)n(C)c1=O ZINC000277828906 646476394 /nfs/dbraw/zinc/47/63/94/646476394.db2.gz PJJBRCQESPESSS-OLZOCXBDSA-N 1 0 382.302 2.155 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000278479379 646523841 /nfs/dbraw/zinc/52/38/41/646523841.db2.gz JAUIRJOBXCDSOT-UHFFFAOYSA-N 1 0 382.258 2.276 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000278483620 646524599 /nfs/dbraw/zinc/52/45/99/646524599.db2.gz LBMDKYFGKFXHGK-MRXNPFEDSA-N 1 0 397.292 2.485 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)cc1Cl ZINC000278822252 646553577 /nfs/dbraw/zinc/55/35/77/646553577.db2.gz OFSHMNHJDPUWEA-UHFFFAOYSA-N 1 0 390.933 2.124 20 0 GEADRO Cn1ncc(Br)c1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000278858559 646558195 /nfs/dbraw/zinc/55/81/95/646558195.db2.gz XRRPXFIPKAJJCI-HNNXBMFYSA-N 1 0 379.302 2.039 20 0 GEADRO Cc1sc(Br)nc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000278938256 646564363 /nfs/dbraw/zinc/56/43/63/646564363.db2.gz UIJOLOYJDBAGHG-GFCCVEGCSA-N 1 0 389.363 2.216 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1Cl ZINC000279193654 646582299 /nfs/dbraw/zinc/58/22/99/646582299.db2.gz WRISAUOTHFKMLV-SNVBAGLBSA-N 1 0 392.930 2.259 20 0 GEADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)C1CC[NH+](C2CC2)CC1 ZINC000279225584 646585421 /nfs/dbraw/zinc/58/54/21/646585421.db2.gz QSYDOCGYMSFGCI-UHFFFAOYSA-N 1 0 378.274 2.211 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000279650081 646618767 /nfs/dbraw/zinc/61/87/67/646618767.db2.gz BRLCHDDDKTVJQN-LLVKDONJSA-N 1 0 382.921 2.169 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000279667163 646620873 /nfs/dbraw/zinc/62/08/73/646620873.db2.gz FDHPPIXTJLNUHW-UHFFFAOYSA-N 1 0 376.245 2.095 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000279757707 646624433 /nfs/dbraw/zinc/62/44/33/646624433.db2.gz DOSPUTWBKZTMCL-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO Cc1nc2ccc(Br)cn2c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000279794855 646627715 /nfs/dbraw/zinc/62/77/15/646627715.db2.gz CWYUHWOCJKJTLC-UHFFFAOYSA-N 1 0 395.301 2.247 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c(F)ccc(Br)c1F ZINC000279790980 646627734 /nfs/dbraw/zinc/62/77/34/646627734.db2.gz HQBWBMPPIJVXNJ-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000279833096 646631728 /nfs/dbraw/zinc/63/17/28/646631728.db2.gz RAFNZLVMKLXLAU-RYUDHWBXSA-N 1 0 376.404 2.194 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000279864330 646634944 /nfs/dbraw/zinc/63/49/44/646634944.db2.gz BTMSHRUCEFBTLA-CQSZACIVSA-N 1 0 386.338 2.457 20 0 GEADRO C[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000279877461 646635923 /nfs/dbraw/zinc/63/59/23/646635923.db2.gz CHGPPDXPXSAZHK-OAHLLOKOSA-N 1 0 388.249 2.467 20 0 GEADRO COC(=O)[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1ccc(Br)cc1 ZINC000279886631 646636764 /nfs/dbraw/zinc/63/67/64/646636764.db2.gz HCVNRAQWZRJZRS-ZDUSSCGKSA-N 1 0 398.282 2.051 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279996279 646643938 /nfs/dbraw/zinc/64/39/38/646643938.db2.gz FQYLOMDGRXTOCX-WDEREUQCSA-N 1 0 396.340 2.012 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000280074701 646647618 /nfs/dbraw/zinc/64/76/18/646647618.db2.gz CCJAVDRAVLNYIU-JTQLQIEISA-N 1 0 390.228 2.218 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cn2)C[C@@H]1C ZINC000280112111 646651590 /nfs/dbraw/zinc/65/15/90/646651590.db2.gz CQGFOXWNRQUIAX-AVGNSLFASA-N 1 0 385.306 2.002 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000280161217 646657559 /nfs/dbraw/zinc/65/75/59/646657559.db2.gz CBGIOJVWGQVILF-PEYYIBSZSA-N 1 0 388.281 2.056 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000280259314 646664102 /nfs/dbraw/zinc/66/41/02/646664102.db2.gz OIZGZQJFCPGOHY-CQSZACIVSA-N 1 0 392.297 2.180 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCOC1 ZINC000280280454 646667017 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ZINC000368160365 647751593 /nfs/dbraw/zinc/75/15/93/647751593.db2.gz GQGKGYRYTMTOLZ-BCUIYNNISA-N 1 0 382.291 2.180 20 0 GEADRO C[C@@H](O)c1cnc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000368240659 647753383 /nfs/dbraw/zinc/75/33/83/647753383.db2.gz MLKWCJWXMZVFQE-VXGBXAGGSA-N 1 0 387.552 2.058 20 0 GEADRO CCN1CC[C@@H]([NH2+]C2CCS(=O)(=O)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000368266060 647754523 /nfs/dbraw/zinc/75/45/23/647754523.db2.gz SDGMAWFIJMPZRX-NVXWUHKLSA-N 1 0 376.444 2.406 20 0 GEADRO CCN1CC[C@@H]([NH2+]C2CCS(=O)(=O)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000368266062 647754625 /nfs/dbraw/zinc/75/46/25/647754625.db2.gz SDGMAWFIJMPZRX-WBVHZDCISA-N 1 0 376.444 2.406 20 0 GEADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368385195 647755457 /nfs/dbraw/zinc/75/54/57/647755457.db2.gz MKBNKIBZDYSLDC-MZFXBISCSA-N 1 0 391.306 2.153 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(F)c(F)cc1I ZINC000368386073 647755569 /nfs/dbraw/zinc/75/55/69/647755569.db2.gz 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COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000370204535 647782302 /nfs/dbraw/zinc/78/23/02/647782302.db2.gz RBRGFFGEXCTHGX-HNNXBMFYSA-N 1 0 386.901 2.279 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371251133 647786993 /nfs/dbraw/zinc/78/69/93/647786993.db2.gz HYECNYHVIJZHTA-CZUORRHYSA-N 1 0 389.924 2.126 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)Nc3ccc(Br)cc3)C[C@H]21 ZINC000371489555 647795094 /nfs/dbraw/zinc/79/50/94/647795094.db2.gz QORZXISVIVBEOP-IUODEOHRSA-N 1 0 395.301 2.123 20 0 GEADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000372459819 647804958 /nfs/dbraw/zinc/80/49/58/647804958.db2.gz JBLJEFOREJFVTP-UAKXVISKSA-N 1 0 377.432 2.353 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)ccc1Cl ZINC000372570332 647806462 /nfs/dbraw/zinc/80/64/62/647806462.db2.gz KXZBXJDTVUKFJG-UHFFFAOYSA-N 1 0 385.917 2.317 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000372591314 647807808 /nfs/dbraw/zinc/80/78/08/647807808.db2.gz HTRPOWSLTUFQII-WBQNTZJQSA-N 1 0 384.929 2.258 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000372608182 647809249 /nfs/dbraw/zinc/80/92/49/647809249.db2.gz QUJYVWUNFLABIM-HNNXBMFYSA-N 1 0 398.276 2.143 20 0 GEADRO O=C1NC[C@@]2(CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)O1 ZINC000372614717 647809499 /nfs/dbraw/zinc/80/94/99/647809499.db2.gz VMODEGZYTHCEBC-MLGOLLRUSA-N 1 0 375.252 2.308 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000374184695 647820696 /nfs/dbraw/zinc/82/06/96/647820696.db2.gz VKRRTQVNILVMPA-JSGCOSHPSA-N 1 0 376.906 2.174 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2cccc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374334975 647821635 /nfs/dbraw/zinc/82/16/35/647821635.db2.gz YKHKMQCAZQVYMM-CRAIPNDOSA-N 1 0 394.357 2.476 20 0 GEADRO C[C@H]1CN(C(=O)Cc2cccc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374334976 647821651 /nfs/dbraw/zinc/82/16/51/647821651.db2.gz YKHKMQCAZQVYMM-MAUKXSAKSA-N 1 0 394.357 2.476 20 0 GEADRO CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccsc1 ZINC000375572135 647832221 /nfs/dbraw/zinc/83/22/21/647832221.db2.gz PJRRGVPJDMHPJB-QGZVFWFLSA-N 1 0 387.571 2.220 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375816850 647834761 /nfs/dbraw/zinc/83/47/61/647834761.db2.gz UJIPPPGVAAIEAR-COXVUDFISA-N 1 0 396.329 2.307 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCCn3cc(Br)cn3)C[C@H]21 ZINC000376496240 647847009 /nfs/dbraw/zinc/84/70/09/647847009.db2.gz VSTFAUCRKHZWGR-DZGCQCFKSA-N 1 0 384.322 2.161 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376700555 647848665 /nfs/dbraw/zinc/84/86/65/647848665.db2.gz NMXOPBSNIIEGKG-GFCCVEGCSA-N 1 0 382.555 2.252 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3csc4ccccc43)CC2)C1 ZINC000377154776 647854206 /nfs/dbraw/zinc/85/42/06/647854206.db2.gz OCIVDIYFAQNEDR-HNNXBMFYSA-N 1 0 379.551 2.302 20 0 GEADRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3cccc(Br)c3)CC(=O)N2C)cn1 ZINC000377253192 647858256 /nfs/dbraw/zinc/85/82/56/647858256.db2.gz SURLZFMYIOEWOG-SUMWQHHRSA-N 1 0 377.286 2.492 20 0 GEADRO CSc1cccc(N(C(=O)CN2CSCC2=O)C2CC[NH+](C)CC2)c1 ZINC000377665272 647864210 /nfs/dbraw/zinc/86/42/10/647864210.db2.gz FSUHLEIZMWIMJW-UHFFFAOYSA-N 1 0 379.551 2.369 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000378027232 647876231 /nfs/dbraw/zinc/87/62/31/647876231.db2.gz STIUDRPJQNWLCC-ZDUSSCGKSA-N 1 0 386.901 2.137 20 0 GEADRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)Nc1cccnc1Br ZINC000378188976 647878546 /nfs/dbraw/zinc/87/85/46/647878546.db2.gz HFAANKIFOQVCSU-OCCSQVGLSA-N 1 0 383.290 2.467 20 0 GEADRO COc1ccc(Br)c(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 ZINC000378343117 647879275 /nfs/dbraw/zinc/87/92/75/647879275.db2.gz RIRNZJOPNUACOA-QGZVFWFLSA-N 1 0 396.285 2.268 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000379449394 647887130 /nfs/dbraw/zinc/88/71/30/647887130.db2.gz ARSNAJBEOZQWDF-WDEREUQCSA-N 1 0 377.304 2.219 20 0 GEADRO Clc1ccc(I)c(C[NH2+]CCN2CCOCC2)c1 ZINC000380843693 647888127 /nfs/dbraw/zinc/88/81/27/647888127.db2.gz OFKSZTACFKQCMF-UHFFFAOYSA-N 1 0 380.657 2.366 20 0 GEADRO [NH3+]CC1(O)CCN(Cc2ccc(Br)c(Br)c2)CC1 ZINC000397065267 647897612 /nfs/dbraw/zinc/89/76/12/647897612.db2.gz TYHSUNQOLXEWJX-UHFFFAOYSA-N 1 0 378.108 2.497 20 0 GEADRO [NH3+]CC1(O)CCN(C(=O)c2cc(Br)ccc2Br)CC1 ZINC000397053092 647897626 /nfs/dbraw/zinc/89/76/26/647897626.db2.gz LNQMDJBSKONUON-UHFFFAOYSA-N 1 0 392.091 2.137 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1Br ZINC000397252407 647898055 /nfs/dbraw/zinc/89/80/55/647898055.db2.gz DCRFBVGOIASIOP-TUAOUCFPSA-N 1 0 391.331 2.452 20 0 GEADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000400101251 647902155 /nfs/dbraw/zinc/90/21/55/647902155.db2.gz AMQDQHPEXYVEPS-LBPRGKRZSA-N 1 0 384.299 2.121 20 0 GEADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1Br ZINC000400105382 647902400 /nfs/dbraw/zinc/90/24/00/647902400.db2.gz BWMPMKRMCLFDQM-JQWIXIFHSA-N 1 0 377.304 2.142 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000404620671 647907920 /nfs/dbraw/zinc/90/79/20/647907920.db2.gz XDYXGALBBXDGLG-UHFFFAOYSA-N 1 0 377.304 2.255 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000405709702 647910844 /nfs/dbraw/zinc/91/08/44/647910844.db2.gz RMGSUXUKFLXPRQ-BXKDBHETSA-N 1 0 397.722 2.087 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000409712479 647980019 /nfs/dbraw/zinc/98/00/19/647980019.db2.gz TWOGOAVISBSRPH-ZBFHGGJFSA-N 1 0 399.329 2.425 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000410475348 648003593 /nfs/dbraw/zinc/00/35/93/648003593.db2.gz MRPOKGFEYROLCY-CQSZACIVSA-N 1 0 396.329 2.003 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000410475347 648003771 /nfs/dbraw/zinc/00/37/71/648003771.db2.gz MRPOKGFEYROLCY-AWEZNQCLSA-N 1 0 396.329 2.003 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000410861802 648017592 /nfs/dbraw/zinc/01/75/92/648017592.db2.gz UGCFOBURVOYODQ-CHWSQXEVSA-N 1 0 394.313 2.057 20 0 GEADRO CN(CC(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1)S(C)(=O)=O ZINC000411104758 648022919 /nfs/dbraw/zinc/02/29/19/648022919.db2.gz VGHFDTMQWMPXFL-UHFFFAOYSA-N 1 0 387.933 2.050 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411949922 648039263 /nfs/dbraw/zinc/03/92/63/648039263.db2.gz WCPWOAVGWPOSSZ-UKRRQHHQSA-N 1 0 396.329 2.206 20 0 GEADRO CC[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN1CC(F)F ZINC000412239431 648045496 /nfs/dbraw/zinc/04/54/96/648045496.db2.gz YXNIKNCLMHOYTA-HZPDHXFCSA-N 1 0 375.529 2.392 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)N[C@@H](C)c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413042050 648058385 /nfs/dbraw/zinc/05/83/85/648058385.db2.gz KHMPEFGJTXCCTH-GXTWGEPZSA-N 1 0 398.301 2.256 20 0 GEADRO CC[C@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)[NH+](C)C ZINC000413502769 648068421 /nfs/dbraw/zinc/06/84/21/648068421.db2.gz KTXOJRBRWKKVAX-CYBMUJFWSA-N 1 0 377.869 2.199 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)c2cc(C)c(Br)cc2C)CC[N@H+](C)C1 ZINC000413909280 648084376 /nfs/dbraw/zinc/08/43/76/648084376.db2.gz VXZIUXFRPLPCRK-CYBMUJFWSA-N 1 0 383.286 2.243 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CC[N@H+](C)C1 ZINC000413911287 648084682 /nfs/dbraw/zinc/08/46/82/648084682.db2.gz YLZDLJAVWNPYCG-CYBMUJFWSA-N 1 0 395.297 2.044 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)c2cc(C)c(Br)cc2C)CC[N@H+](C)C1 ZINC000413909282 648084731 /nfs/dbraw/zinc/08/47/31/648084731.db2.gz VXZIUXFRPLPCRK-ZDUSSCGKSA-N 1 0 383.286 2.243 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCN2CCc3sccc3C2)cc1Cl ZINC000414304079 648091233 /nfs/dbraw/zinc/09/12/33/648091233.db2.gz CQKATBBUJZFUKG-UHFFFAOYSA-N 1 0 385.942 2.197 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)C2CCCCC2)cc1Br ZINC000414347463 648097989 /nfs/dbraw/zinc/09/79/89/648097989.db2.gz WKGUIRKDIXXOHD-AWEZNQCLSA-N 1 0 391.331 2.127 20 0 GEADRO O=C(Nc1cccc(I)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000414688074 648099569 /nfs/dbraw/zinc/09/95/69/648099569.db2.gz CXBAKUIWZMQJGE-SNVBAGLBSA-N 1 0 381.164 2.410 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(Br)cc1Br ZINC000414704388 648100017 /nfs/dbraw/zinc/10/00/17/648100017.db2.gz YZPBQNNAUJMYHE-VIFPVBQESA-N 1 0 393.079 2.322 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@H](C)CC[NH3+])ccc1Cl ZINC000414717327 648101269 /nfs/dbraw/zinc/10/12/69/648101269.db2.gz PQORSXKNUDPVIU-LLVKDONJSA-N 1 0 376.910 2.229 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C[NH3+])C2CC2)ccc1Cl ZINC000414718266 648101924 /nfs/dbraw/zinc/10/19/24/648101924.db2.gz RDCYVYJWNXONNR-AWEZNQCLSA-N 1 0 388.921 2.229 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NC[C@@H]([NH3+])C2CC2)ccc1Cl ZINC000414719642 648101929 /nfs/dbraw/zinc/10/19/29/648101929.db2.gz VVGPVHNISPLPCW-CQSZACIVSA-N 1 0 388.921 2.229 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415412396 648102906 /nfs/dbraw/zinc/10/29/06/648102906.db2.gz MYGDWWJPSHIYSW-LBPRGKRZSA-N 1 0 394.313 2.382 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415410897 648102953 /nfs/dbraw/zinc/10/29/53/648102953.db2.gz WEURJNRAGCQMSL-SNVBAGLBSA-N 1 0 375.416 2.237 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415415670 648103453 /nfs/dbraw/zinc/10/34/53/648103453.db2.gz IRXXWWMFRJBCCL-SSDOTTSWSA-N 1 0 382.180 2.212 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415422512 648104745 /nfs/dbraw/zinc/10/47/45/648104745.db2.gz DPYAEZXNZTUQDW-NSHDSACASA-N 1 0 383.290 2.150 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415468909 648105590 /nfs/dbraw/zinc/10/55/90/648105590.db2.gz WFUYNMBJGIGAGX-WCQYABFASA-N 1 0 398.301 2.371 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415471961 648106010 /nfs/dbraw/zinc/10/60/10/648106010.db2.gz SWSFWXQPZAIPSH-SNVBAGLBSA-N 1 0 379.766 2.169 20 0 GEADRO COc1ccc(NC(=O)N2CCC([NH3+])CC2)c(I)c1 ZINC000415601595 648109781 /nfs/dbraw/zinc/10/97/81/648109781.db2.gz WQCHSJDQSITPIN-UHFFFAOYSA-N 1 0 375.210 2.255 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415604189 648109813 /nfs/dbraw/zinc/10/98/13/648109813.db2.gz BONPLWFHPCOHLN-CPCISQLKSA-N 1 0 392.656 2.294 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc(Br)c1F ZINC000415603928 648109832 /nfs/dbraw/zinc/10/98/32/648109832.db2.gz DRKRTBMNMASKKN-PRHODGIISA-N 1 0 388.237 2.494 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1Br ZINC000415607491 648110201 /nfs/dbraw/zinc/11/02/01/648110201.db2.gz KHEPTKXVZGVREG-GHMZBOCLSA-N 1 0 382.258 2.309 20 0 GEADRO Cc1cc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc(C)c1Br ZINC000415605044 648110355 /nfs/dbraw/zinc/11/03/55/648110355.db2.gz NPCPORMGEVOAMB-ZDUSSCGKSA-N 1 0 397.317 2.385 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415624481 648110803 /nfs/dbraw/zinc/11/08/03/648110803.db2.gz OCMBLQMTZPYIKW-QMTHXVAHSA-N 1 0 391.269 2.050 20 0 GEADRO O=C(Nc1cc(F)cc(Br)c1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415621299 648110828 /nfs/dbraw/zinc/11/08/28/648110828.db2.gz SNPHXHXMGUHKOO-LLVKDONJSA-N 1 0 389.244 2.239 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415623226 648110830 /nfs/dbraw/zinc/11/08/30/648110830.db2.gz GCLKLPVSDONZIP-LLVKDONJSA-N 1 0 375.416 2.380 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)Nc1ccnn1-c1ccc(Br)cn1)C(F)F ZINC000415630649 648111840 /nfs/dbraw/zinc/11/18/40/648111840.db2.gz DCDCVKSESCWAGI-SECBINFHSA-N 1 0 389.204 2.134 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415810857 648113134 /nfs/dbraw/zinc/11/31/34/648113134.db2.gz XXBFZKTZCRLETF-LLVKDONJSA-N 1 0 386.265 2.484 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415810858 648113341 /nfs/dbraw/zinc/11/33/41/648113341.db2.gz XXBFZKTZCRLETF-NSHDSACASA-N 1 0 386.265 2.484 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415809404 648113383 /nfs/dbraw/zinc/11/33/83/648113383.db2.gz MXHQZIRODOLLOZ-WCBMZHEXSA-N 1 0 390.228 2.300 20 0 GEADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c(C(F)F)c(C)nn2C)CC1 ZINC000416410331 648116306 /nfs/dbraw/zinc/11/63/06/648116306.db2.gz XBTKIXLBYMWCIT-UHFFFAOYSA-N 1 0 378.489 2.409 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C1 ZINC000416415114 648118535 /nfs/dbraw/zinc/11/85/35/648118535.db2.gz SVNAAGVXEDNBAK-GFCCVEGCSA-N 1 0 376.906 2.462 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000416422833 648123015 /nfs/dbraw/zinc/12/30/15/648123015.db2.gz PBDAEJXWCJJARY-LBPRGKRZSA-N 1 0 389.949 2.263 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)CCOCC2CCCC2)C[C@H]1[NH+]1CCCC1 ZINC000416465898 648134442 /nfs/dbraw/zinc/13/44/42/648134442.db2.gz NNDSDKRYJVYMKH-IAGOWNOFSA-N 1 0 376.588 2.035 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000416512105 648155146 /nfs/dbraw/zinc/15/51/46/648155146.db2.gz OYCUTKZXVUAAHH-UHFFFAOYSA-N 1 0 379.320 2.217 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000416559070 648171562 /nfs/dbraw/zinc/17/15/62/648171562.db2.gz QEERHIGQOGRRPH-UHFFFAOYSA-N 1 0 381.523 2.459 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000416559479 648171687 /nfs/dbraw/zinc/17/16/87/648171687.db2.gz QOQOKRWIPFYETM-GFCCVEGCSA-N 1 0 381.420 2.033 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000416563663 648173155 /nfs/dbraw/zinc/17/31/55/648173155.db2.gz YHMCHPUDYJXZLN-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000416800813 648212852 /nfs/dbraw/zinc/21/28/52/648212852.db2.gz UPDZFQNVOMNPES-CQSZACIVSA-N 1 0 378.826 2.018 20 0 GEADRO COc1ccc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000416795340 648212858 /nfs/dbraw/zinc/21/28/58/648212858.db2.gz SVLZSJOXFFKQDH-VXGBXAGGSA-N 1 0 386.290 2.377 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000416820917 648213264 /nfs/dbraw/zinc/21/32/64/648213264.db2.gz CUQNMGPNFMSHQQ-CHWSQXEVSA-N 1 0 383.290 2.265 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(Br)ccc2F)CC[N@H+](C)C1 ZINC000416827325 648213647 /nfs/dbraw/zinc/21/36/47/648213647.db2.gz NIESAIAUMIGONK-JTQLQIEISA-N 1 0 388.237 2.157 20 0 GEADRO COC[C@@]1(CNC(=O)NCc2cc(OC)ccc2Br)CCC[NH2+]1 ZINC000417144037 648226422 /nfs/dbraw/zinc/22/64/22/648226422.db2.gz URYMFSVMWWZGDK-INIZCTEOSA-N 1 0 386.290 2.026 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000417172281 648228015 /nfs/dbraw/zinc/22/80/15/648228015.db2.gz FRGDIKNZDJTXSC-MNOVXSKESA-N 1 0 384.274 2.285 20 0 GEADRO C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000417178845 648228859 /nfs/dbraw/zinc/22/88/59/648228859.db2.gz NEHSDKQLZSSGEI-MNOVXSKESA-N 1 0 384.274 2.333 20 0 GEADRO CC[NH2+]CCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417179886 648229222 /nfs/dbraw/zinc/22/92/22/648229222.db2.gz NXNFXXQMBCOEHT-UHFFFAOYSA-N 1 0 384.318 2.406 20 0 GEADRO O=C(NCc1cn2cc(Br)ccc2n1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417208623 648232027 /nfs/dbraw/zinc/23/20/27/648232027.db2.gz BPTRQGWLQRKHBM-KRWDZBQOSA-N 1 0 392.301 2.382 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000417225457 648234211 /nfs/dbraw/zinc/23/42/11/648234211.db2.gz XUSKFQYDMTYGNJ-UHFFFAOYSA-N 1 0 387.933 2.145 20 0 GEADRO C[C@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000417226068 648234723 /nfs/dbraw/zinc/23/47/23/648234723.db2.gz OMSXYRMMZZTXIA-RYUDHWBXSA-N 1 0 383.290 2.170 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1cn2cc(Br)ccc2n1 ZINC000417227881 648235073 /nfs/dbraw/zinc/23/50/73/648235073.db2.gz VVNNZOUEBQCDMZ-LBPRGKRZSA-N 1 0 380.290 2.286 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000417227794 648235154 /nfs/dbraw/zinc/23/51/54/648235154.db2.gz VPESMUZWYGGPRT-NEPJUHHUSA-N 1 0 380.290 2.366 20 0 GEADRO O=C(CCNC(=O)NCC[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000417228349 648235198 /nfs/dbraw/zinc/23/51/98/648235198.db2.gz RKAJQNYLACJHOO-GFCCVEGCSA-N 1 0 383.290 2.077 20 0 GEADRO C[C@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000417256707 648236485 /nfs/dbraw/zinc/23/64/85/648236485.db2.gz BFMMDCWKGNHSQP-KBPBESRZSA-N 1 0 381.318 2.279 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417258390 648236842 /nfs/dbraw/zinc/23/68/42/648236842.db2.gz FCVZKXCPRFTQFQ-ZIAGYGMSSA-N 1 0 381.318 2.266 20 0 GEADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC[C@@H]1CCC[NH2+]1 ZINC000417257305 648236880 /nfs/dbraw/zinc/23/68/80/648236880.db2.gz CDJVIQNKFPRRHM-ZFWWWQNUSA-N 1 0 381.318 2.327 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417258344 648237043 /nfs/dbraw/zinc/23/70/43/648237043.db2.gz DYVXPVZQRYYZSW-XJKSGUPXSA-N 1 0 381.318 2.408 20 0 GEADRO O=C(NCCc1cc(Br)ccc1F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417296768 648238218 /nfs/dbraw/zinc/23/82/18/648238218.db2.gz MPJKMWNOTGPCNO-GFCCVEGCSA-N 1 0 380.208 2.427 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417297985 648238325 /nfs/dbraw/zinc/23/83/25/648238325.db2.gz JYVYVRJDXVYOIN-JQWIXIFHSA-N 1 0 384.274 2.099 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417301312 648238594 /nfs/dbraw/zinc/23/85/94/648238594.db2.gz PKJIURXCGVJEAU-MFKMUULPSA-N 1 0 384.274 2.018 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)cc2Cl)CCCO1 ZINC000417334712 648239579 /nfs/dbraw/zinc/23/95/79/648239579.db2.gz FUCIEIWGEXMJGV-LBPRGKRZSA-N 1 0 376.682 2.362 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccccc2Br)CC12CCOCC2 ZINC000417356361 648239946 /nfs/dbraw/zinc/23/99/46/648239946.db2.gz PJQBSZCPGSEKGA-OAHLLOKOSA-N 1 0 396.329 2.389 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000417364137 648240453 /nfs/dbraw/zinc/24/04/53/648240453.db2.gz GXUPYEQMQNHRAK-CQSZACIVSA-N 1 0 397.317 2.480 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417369691 648241100 /nfs/dbraw/zinc/24/11/00/648241100.db2.gz REVVCRAOHUTDKV-QGZVFWFLSA-N 1 0 397.317 2.466 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000417372641 648241488 /nfs/dbraw/zinc/24/14/88/648241488.db2.gz ZLJBLYRGNKCQGQ-NSHDSACASA-N 1 0 385.306 2.241 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc(Br)c1OC ZINC000417377967 648242035 /nfs/dbraw/zinc/24/20/35/648242035.db2.gz QKEKPXATEJNDSE-JQWIXIFHSA-N 1 0 386.290 2.345 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc(Br)c1OC ZINC000417379056 648242475 /nfs/dbraw/zinc/24/24/75/648242475.db2.gz RZQUGKQIQKGFCM-INIZCTEOSA-N 1 0 386.290 2.347 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc(Br)c1OC ZINC000417379899 648242573 /nfs/dbraw/zinc/24/25/73/648242573.db2.gz TZNAXIVVEZYJRF-GXFFZTMASA-N 1 0 386.290 2.264 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2cccc(Br)c2)CC12CCOCC2 ZINC000417392782 648243098 /nfs/dbraw/zinc/24/30/98/648243098.db2.gz BSYFKTIZGPPRBY-AWEZNQCLSA-N 1 0 382.302 2.346 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)[NH+](C)C ZINC000417419209 648243919 /nfs/dbraw/zinc/24/39/19/648243919.db2.gz CPVBOLSFSQCTOO-CYBMUJFWSA-N 1 0 388.559 2.102 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417427018 648244471 /nfs/dbraw/zinc/24/44/71/648244471.db2.gz IFEMDEVILMYNRJ-ZDUSSCGKSA-N 1 0 384.318 2.391 20 0 GEADRO O=C(NCc1ccc(F)c(Cl)c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417431367 648245017 /nfs/dbraw/zinc/24/50/17/648245017.db2.gz QXURMKHZRNMNDP-ZDUSSCGKSA-N 1 0 382.789 2.114 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417431864 648245037 /nfs/dbraw/zinc/24/50/37/648245037.db2.gz RVSQZTOISYNYNP-ZDUSSCGKSA-N 1 0 384.318 2.486 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(I)s2)C1 ZINC000417437609 648245940 /nfs/dbraw/zinc/24/59/40/648245940.db2.gz HRTARXHHOVLDMD-NXEZZACHSA-N 1 0 393.294 2.464 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417438232 648245967 /nfs/dbraw/zinc/24/59/67/648245967.db2.gz SLVSHGZQOYREFR-CABCVRRESA-N 1 0 397.317 2.138 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417478386 648248125 /nfs/dbraw/zinc/24/81/25/648248125.db2.gz DOICSZDVXNNOAN-OAHLLOKOSA-N 1 0 399.333 2.386 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417478695 648248271 /nfs/dbraw/zinc/24/82/71/648248271.db2.gz DQXDQWHLJWCLSX-CYBMUJFWSA-N 1 0 397.317 2.385 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417481834 648249059 /nfs/dbraw/zinc/24/90/59/648249059.db2.gz OPGNMZLDGWMYAL-VHDGCEQUSA-N 1 0 381.318 2.454 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCC([NH3+])CC1 ZINC000417481494 648249073 /nfs/dbraw/zinc/24/90/73/648249073.db2.gz HQBWWWRPWRZWRU-UHFFFAOYSA-N 1 0 383.290 2.219 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417484655 648249411 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GEADRO C[C@H]1C[C@@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[NH2+]1 ZINC000417719253 648259023 /nfs/dbraw/zinc/25/90/23/648259023.db2.gz COBQGVRYPCQUKN-GWCFXTLKSA-N 1 0 393.289 2.174 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(F)cc2I)CC1 ZINC000417819655 648262442 /nfs/dbraw/zinc/26/24/42/648262442.db2.gz XGUMWGAFSTZXOX-CQSZACIVSA-N 1 0 392.256 2.319 20 0 GEADRO Nc1cc(Br)ccc1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417847545 648262913 /nfs/dbraw/zinc/26/29/13/648262913.db2.gz UWVOHXYAFNNVJH-HOCLYGCPSA-N 1 0 382.302 2.390 20 0 GEADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)N1CCOC2(C[NH2+]C2)C1 ZINC000417833462 648263024 /nfs/dbraw/zinc/26/30/24/648263024.db2.gz JJKDPYSLODPTKV-UHFFFAOYSA-N 1 0 394.686 2.409 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417867703 648263512 /nfs/dbraw/zinc/26/35/12/648263512.db2.gz FPNYCWFHECGFTP-ONGXEEELSA-N 1 0 379.814 2.321 20 0 GEADRO C[NH2+]CCN(C)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417869749 648263543 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Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)nc12 ZINC000417996069 648268797 /nfs/dbraw/zinc/26/87/97/648268797.db2.gz BDBGVRNQZVKUNM-DGCLKSJQSA-N 1 0 380.290 2.345 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000418019887 648271362 /nfs/dbraw/zinc/27/13/62/648271362.db2.gz LZWOWTLZCBBEMQ-HNNXBMFYSA-N 1 0 394.317 2.341 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C[NH3+])C[C@H]3C)nc12 ZINC000418029452 648272207 /nfs/dbraw/zinc/27/22/07/648272207.db2.gz RECUZPLSMYJAFA-VXGBXAGGSA-N 1 0 380.290 2.284 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H](C[NH3+])C[C@H]3C)nc12 ZINC000418029449 648272290 /nfs/dbraw/zinc/27/22/90/648272290.db2.gz RECUZPLSMYJAFA-NEPJUHHUSA-N 1 0 380.290 2.284 20 0 GEADRO O=C(NCc1cc(Br)ccc1Br)N1CC[NH2+]CC1 ZINC000418046337 648273283 /nfs/dbraw/zinc/27/32/83/648273283.db2.gz PBUHVJGYQQDWCK-UHFFFAOYSA-N 1 0 377.080 2.326 20 0 GEADRO COC[C@]1(CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)CCC[NH2+]1 ZINC000418039775 648273325 /nfs/dbraw/zinc/27/33/25/648273325.db2.gz UCXHOCBXQVWMLL-QGZVFWFLSA-N 1 0 395.301 2.498 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)s1 ZINC000418053126 648273813 /nfs/dbraw/zinc/27/38/13/648273813.db2.gz BJYMHILUTRDICR-VXGBXAGGSA-N 1 0 387.347 2.261 20 0 GEADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000418070220 648275023 /nfs/dbraw/zinc/27/50/23/648275023.db2.gz QUYJGVSIONENLL-OAHLLOKOSA-N 1 0 381.523 2.213 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418071215 648275080 /nfs/dbraw/zinc/27/50/80/648275080.db2.gz SJJGWAGOXOJKAK-WCQYABFASA-N 1 0 386.290 2.278 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000418074245 648275360 /nfs/dbraw/zinc/27/53/60/648275360.db2.gz NHDSRGQVERGTBH-AWEZNQCLSA-N 1 0 375.922 2.258 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C(F)F ZINC000418084579 648276956 /nfs/dbraw/zinc/27/69/56/648276956.db2.gz VUHFNZQPAAODKM-WDEREUQCSA-N 1 0 395.237 2.380 20 0 GEADRO [NH3+][C@@H](CNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000418085573 648276986 /nfs/dbraw/zinc/27/69/86/648276986.db2.gz AQBWHWSNCOEXJQ-HNNXBMFYSA-N 1 0 378.274 2.171 20 0 GEADRO CC1(NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000418090774 648278392 /nfs/dbraw/zinc/27/83/92/648278392.db2.gz CWUDVUDBEZQSOZ-AWEZNQCLSA-N 1 0 381.318 2.469 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)NCc1ccc(Cl)cc1I ZINC000418097494 648279482 /nfs/dbraw/zinc/27/94/82/648279482.db2.gz YQGAQMMOWFXKDM-MRVPVSSYSA-N 1 0 381.645 2.481 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000418096945 648279621 /nfs/dbraw/zinc/27/96/21/648279621.db2.gz XXNVERWMPNWVDZ-HNNXBMFYSA-N 1 0 378.274 2.171 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(F)cc1I ZINC000418117406 648281788 /nfs/dbraw/zinc/28/17/88/648281788.db2.gz RPNIOBHBEPCKBV-NWDGAFQWSA-N 1 0 392.256 2.317 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)NCC1C[NH2+]C1 ZINC000418115364 648281854 /nfs/dbraw/zinc/28/18/54/648281854.db2.gz OURQUSGQGXRUHU-NSHDSACASA-N 1 0 387.265 2.131 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418114112 648282153 /nfs/dbraw/zinc/28/21/53/648282153.db2.gz KTRCGNCMHNEGFX-SMDDNHRTSA-N 1 0 387.265 2.355 20 0 GEADRO [NH3+][C@H](CNC(=O)NCc1ccc(I)cc1Cl)C1CC1 ZINC000418119391 648282463 /nfs/dbraw/zinc/28/24/63/648282463.db2.gz GKWRAQNUNWAXOY-GFCCVEGCSA-N 1 0 393.656 2.481 20 0 GEADRO CCn1nncc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000418122723 648282880 /nfs/dbraw/zinc/28/28/80/648282880.db2.gz YEKZGKIQTDRENI-LBPRGKRZSA-N 1 0 383.290 2.010 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1I ZINC000418144682 648285023 /nfs/dbraw/zinc/28/50/23/648285023.db2.gz UPPVSKJIIQIYHW-NEPJUHHUSA-N 1 0 387.265 2.491 20 0 GEADRO COC[C@]1(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CCC[NH2+]1 ZINC000418160058 648286060 /nfs/dbraw/zinc/28/60/60/648286060.db2.gz DRHBMEPXELPNFM-NVXWUHKLSA-N 1 0 397.317 2.363 20 0 GEADRO COCC[NH2+]CCNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418195474 648287245 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C[NH2+]C[C@@H]1CCCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000418234727 648289426 /nfs/dbraw/zinc/28/94/26/648289426.db2.gz QUGWEZIHYJVFJV-AWEZNQCLSA-N 1 0 387.933 2.145 20 0 GEADRO Cc1nc(CNC(=O)N2CCC(OCCC[NH3+])CC2)sc1Br ZINC000418241670 648289870 /nfs/dbraw/zinc/28/98/70/648289870.db2.gz TWTDSAHIFYWFJT-UHFFFAOYSA-N 1 0 391.335 2.253 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418257739 648290101 /nfs/dbraw/zinc/29/01/01/648290101.db2.gz DKPFWGJDDFLZKF-ZACCUICWSA-N 1 0 378.274 2.408 20 0 GEADRO C[NH2+]CCCNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418278991 648290826 /nfs/dbraw/zinc/29/08/26/648290826.db2.gz NIOXSKKCLILFCE-CQSZACIVSA-N 1 0 381.826 2.427 20 0 GEADRO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCn2cc(Br)ccc2=O)cc1 ZINC000418270199 648290845 /nfs/dbraw/zinc/29/08/45/648290845.db2.gz ZHWDCMOXNOXFGJ-GFCCVEGCSA-N 1 0 393.285 2.130 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N(Cc1cccc(Br)c1)C1CC1 ZINC000418291892 648291097 /nfs/dbraw/zinc/29/10/97/648291097.db2.gz CHUVYWGCIQZVJC-UHFFFAOYSA-N 1 0 381.318 2.028 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418294699 648291128 /nfs/dbraw/zinc/29/11/28/648291128.db2.gz COVSOSYLSGDYBJ-CQSZACIVSA-N 1 0 384.318 2.041 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)NC1(c2cccc(Br)c2)CC1 ZINC000418288677 648291338 /nfs/dbraw/zinc/29/13/38/648291338.db2.gz NBYOVZMAYPLCGU-UHFFFAOYSA-N 1 0 381.318 2.033 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CC=C(c2cccc(Br)c2)CC1 ZINC000418297923 648291533 /nfs/dbraw/zinc/29/15/33/648291533.db2.gz LJYABLIOLVHLNT-UHFFFAOYSA-N 1 0 393.329 2.153 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000418301585 648291649 /nfs/dbraw/zinc/29/16/49/648291649.db2.gz RSQXYPQHPPNZQA-INIZCTEOSA-N 1 0 381.318 2.201 20 0 GEADRO [NH3+]CCCNC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000418312364 648292344 /nfs/dbraw/zinc/29/23/44/648292344.db2.gz NYLRDOUBBDEOEH-UHFFFAOYSA-N 1 0 388.281 2.328 20 0 GEADRO C[NH2+]CCNC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000418315970 648292962 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O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418355685 648294379 /nfs/dbraw/zinc/29/43/79/648294379.db2.gz XDEOSBQIMIFCMF-STQMWFEESA-N 1 0 390.311 2.422 20 0 GEADRO C[C@H](NC(=O)N(CCO)Cc1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000418355401 648294399 /nfs/dbraw/zinc/29/43/99/648294399.db2.gz XAQVHJSBMFIZNU-NWDGAFQWSA-N 1 0 390.347 2.403 20 0 GEADRO [NH3+]C1CCC(NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000418377978 648295380 /nfs/dbraw/zinc/29/53/80/648295380.db2.gz BZTDACCBEJTJAD-IUDNXUCKSA-N 1 0 384.318 2.169 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCc1noc(-c2cccc(Br)c2)n1)C1CC1 ZINC000418389415 648295850 /nfs/dbraw/zinc/29/58/50/648295850.db2.gz AAAREXXUBRQLDS-GFCCVEGCSA-N 1 0 380.246 2.036 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418402615 648296511 /nfs/dbraw/zinc/29/65/11/648296511.db2.gz BDDYGLGFGNRSDT-ZOBUZTSGSA-N 1 0 398.345 2.417 20 0 GEADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418395693 648296541 /nfs/dbraw/zinc/29/65/41/648296541.db2.gz HJIFGRSKOGRCNF-LBPRGKRZSA-N 1 0 376.320 2.406 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)N[C@@H]1CC[NH2+]C1 ZINC000418396666 648296566 /nfs/dbraw/zinc/29/65/66/648296566.db2.gz ZPZBRSCTWCJRAV-BXKDBHETSA-N 1 0 396.207 2.162 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000418400442 648296622 /nfs/dbraw/zinc/29/66/22/648296622.db2.gz GYDFKOCPKIWFBR-HNNXBMFYSA-N 1 0 387.311 2.444 20 0 GEADRO O=C(NCC1C[NH2+]C1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418480199 648297461 /nfs/dbraw/zinc/29/74/61/648297461.db2.gz BFHJEOKGYWAUNT-AWEZNQCLSA-N 1 0 385.249 2.357 20 0 GEADRO CC1(CNC(=O)N(CCO)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000418512995 648299059 /nfs/dbraw/zinc/29/90/59/648299059.db2.gz FQDXATGAQBDFSH-UHFFFAOYSA-N 1 0 384.318 2.343 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NCC1([NH3+])CCC1 ZINC000418530796 648300501 /nfs/dbraw/zinc/30/05/01/648300501.db2.gz VRCKJSGCOIEUDB-ZDUSSCGKSA-N 1 0 384.318 2.089 20 0 GEADRO C[C@]1(CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CCC[NH2+]C1 ZINC000418542375 648301018 /nfs/dbraw/zinc/30/10/18/648301018.db2.gz OKPRBFVNLKIIKN-PXAZEXFGSA-N 1 0 390.311 2.422 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1 ZINC000418570607 648301857 /nfs/dbraw/zinc/30/18/57/648301857.db2.gz CZAXEAXVEFNNTR-BMFZPTHFSA-N 1 0 384.318 2.169 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418583985 648303060 /nfs/dbraw/zinc/30/30/60/648303060.db2.gz BPDTYFURBQMZRO-XHDPSFHLSA-N 1 0 388.281 2.090 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418586771 648303245 /nfs/dbraw/zinc/30/32/45/648303245.db2.gz AOUWZIKKTIKSLF-GFCCVEGCSA-N 1 0 395.305 2.169 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000418588896 648303637 /nfs/dbraw/zinc/30/36/37/648303637.db2.gz AFDUORUYPNNLCC-HIFRSBDPSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC[NH2+]1 ZINC000418599676 648304094 /nfs/dbraw/zinc/30/40/94/648304094.db2.gz JQHVLJQZRUFFDM-INWMFGNUSA-N 1 0 384.318 2.040 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418601587 648304402 /nfs/dbraw/zinc/30/44/02/648304402.db2.gz LJQPWXGIPPBRGZ-CYBMUJFWSA-N 1 0 388.295 2.342 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N(Cc1cccs1)C1CC1 ZINC000418611557 648304805 /nfs/dbraw/zinc/30/48/05/648304805.db2.gz HWERYMLIXJBMDQ-CQSZACIVSA-N 1 0 376.448 2.258 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1Cc2cccc(Cl)c2C1 ZINC000418610220 648304855 /nfs/dbraw/zinc/30/48/55/648304855.db2.gz GPKBQKUXSCXWCB-AWEZNQCLSA-N 1 0 376.810 2.201 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)C1CCCC1 ZINC000418609653 648304898 /nfs/dbraw/zinc/30/48/98/648304898.db2.gz CMNKAOATCVZRJV-RHSMWYFYSA-N 1 0 398.345 2.417 20 0 GEADRO CN(Cc1ccccc1Cl)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418618759 648305184 /nfs/dbraw/zinc/30/51/84/648305184.db2.gz OUAAVLFLVZPCKS-CQSZACIVSA-N 1 0 378.826 2.318 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1Cc2ccc(Cl)cc2C1 ZINC000418623101 648305600 /nfs/dbraw/zinc/30/56/00/648305600.db2.gz WVZPJUIXGXFFFI-CQSZACIVSA-N 1 0 376.810 2.201 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](O)COc1ccccc1Br ZINC000418673630 648307039 /nfs/dbraw/zinc/30/70/39/648307039.db2.gz OJAMQPALIWFSKL-OLZOCXBDSA-N 1 0 388.306 2.006 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418692667 648307211 /nfs/dbraw/zinc/30/72/11/648307211.db2.gz ISBLVHFAZOWJLS-ZIAGYGMSSA-N 1 0 386.334 2.417 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418690510 648307256 /nfs/dbraw/zinc/30/72/56/648307256.db2.gz GZYYBVUVVOUVBK-YGRLFVJLSA-N 1 0 376.270 2.438 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418689239 648307277 /nfs/dbraw/zinc/30/72/77/648307277.db2.gz FQVKOMOEAKEGCW-HIFRSBDPSA-N 1 0 386.334 2.417 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418715100 648307838 /nfs/dbraw/zinc/30/78/38/648307838.db2.gz YGUWHLGNBRDGLX-ZFWWWQNUSA-N 1 0 386.334 2.417 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000418725069 648308377 /nfs/dbraw/zinc/30/83/77/648308377.db2.gz BOGIFJRAFARURA-MTICYGMRSA-N 1 0 395.301 2.203 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000418740438 648308657 /nfs/dbraw/zinc/30/86/57/648308657.db2.gz ZYHKQKZNWDFZFS-AWEZNQCLSA-N 1 0 375.300 2.378 20 0 GEADRO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418762537 648310079 /nfs/dbraw/zinc/31/00/79/648310079.db2.gz MANRGTLLPFRARO-GOEBONIOSA-N 1 0 377.897 2.475 20 0 GEADRO Cc1cc(C(C)(C)NC(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1Br ZINC000418770946 648311388 /nfs/dbraw/zinc/31/13/88/648311388.db2.gz VJKKBQNXLKBRSN-AWEZNQCLSA-N 1 0 383.334 2.195 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1)C1CC1 ZINC000418772362 648311719 /nfs/dbraw/zinc/31/17/19/648311719.db2.gz ZFXLOSGDVOMDKO-HOCLYGCPSA-N 1 0 377.897 2.461 20 0 GEADRO O=C(CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1cccc(Br)c1 ZINC000418784929 648312574 /nfs/dbraw/zinc/31/25/74/648312574.db2.gz GQJSCYGOCJXAGO-SLEUVZQESA-N 1 0 395.301 2.075 20 0 GEADRO O=C(CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1cccc(Br)c1 ZINC000418784930 648312610 /nfs/dbraw/zinc/31/26/10/648312610.db2.gz GQJSCYGOCJXAGO-TYNCELHUSA-N 1 0 395.301 2.075 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418782389 648312676 /nfs/dbraw/zinc/31/26/76/648312676.db2.gz DWVGNBCOMRAXAX-ZYHUDNBSSA-N 1 0 376.320 2.142 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000418797337 648313016 /nfs/dbraw/zinc/31/30/16/648313016.db2.gz UVDJBOQDWDTWRX-IIAWOOMASA-N 1 0 384.318 2.027 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418820597 648314368 /nfs/dbraw/zinc/31/43/68/648314368.db2.gz SPJIHVIFZFEBEL-FJXFWJLJSA-N 1 0 382.291 2.033 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418826406 648314740 /nfs/dbraw/zinc/31/47/40/648314740.db2.gz KXLDXVNTNTUPSV-CWRNSKLLSA-N 1 0 396.329 2.253 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418844503 648316691 /nfs/dbraw/zinc/31/66/91/648316691.db2.gz MJDRYPXPKPMFEL-DOMZBBRYSA-N 1 0 384.318 2.130 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC000418849418 648317411 /nfs/dbraw/zinc/31/74/11/648317411.db2.gz ASMAFCAWSIBZTH-DZGCQCFKSA-N 1 0 386.323 2.402 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000418866010 648319566 /nfs/dbraw/zinc/31/95/66/648319566.db2.gz NEBMEWCXAYJNCF-IUODEOHRSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccc(Br)cc1 ZINC000418872106 648320030 /nfs/dbraw/zinc/32/00/30/648320030.db2.gz WCANIUIBNIPMLT-NWDGAFQWSA-N 1 0 382.302 2.212 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000418940357 648322843 /nfs/dbraw/zinc/32/28/43/648322843.db2.gz IZIRPEVTKYMOKT-MRXNPFEDSA-N 1 0 394.313 2.011 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)[C@@H]1C[NH3+] ZINC000418941379 648323216 /nfs/dbraw/zinc/32/32/16/648323216.db2.gz KIUVCKLGDIRDQC-XFBWCDHKSA-N 1 0 394.313 2.138 20 0 GEADRO C[C@]1(CNC(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)CCC[NH2+]C1 ZINC000418947591 648324123 /nfs/dbraw/zinc/32/41/23/648324123.db2.gz SNSIMFJLDWPWEU-YJBOKZPZSA-N 1 0 394.313 2.059 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418949145 648324588 /nfs/dbraw/zinc/32/45/88/648324588.db2.gz RDSWBMIRXSQUCJ-ABAIWWIYSA-N 1 0 382.302 2.118 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21)C1CCCC1 ZINC000418949069 648324598 /nfs/dbraw/zinc/32/45/98/648324598.db2.gz USNVAXBOYLDDQV-JKSUJKDBSA-N 1 0 394.313 2.186 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21)C1CCCC1 ZINC000418949063 648324607 /nfs/dbraw/zinc/32/46/07/648324607.db2.gz USNVAXBOYLDDQV-CVEARBPZSA-N 1 0 394.313 2.186 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)[C@H](C[NH3+])C1 ZINC000418954575 648325152 /nfs/dbraw/zinc/32/51/52/648325152.db2.gz OIRAGWRFMUSCCM-KGYLQXTDSA-N 1 0 388.295 2.135 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418954755 648325208 /nfs/dbraw/zinc/32/52/08/648325208.db2.gz XNOZYJMBRYLTCR-WBMJQRKESA-N 1 0 396.329 2.378 20 0 GEADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418964844 648325943 /nfs/dbraw/zinc/32/59/43/648325943.db2.gz KFKDSOHPXUKJKO-LBPRGKRZSA-N 1 0 383.279 2.083 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000418981943 648326390 /nfs/dbraw/zinc/32/63/90/648326390.db2.gz AOECDCOAIOBIPX-OAHLLOKOSA-N 1 0 384.318 2.206 20 0 GEADRO CCCN(C(=O)C(=O)NCc1ccc(Br)c(C)c1)C1CC[NH2+]CC1 ZINC000419002160 648327327 /nfs/dbraw/zinc/32/73/27/648327327.db2.gz ZBIJVRGSKPALMV-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419019531 648327558 /nfs/dbraw/zinc/32/75/58/648327558.db2.gz JDEZOUJPAJGZHJ-CYBMUJFWSA-N 1 0 396.329 2.145 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419020462 648327991 /nfs/dbraw/zinc/32/79/91/648327991.db2.gz KYEJZKSRRNVORV-VNHYZAJKSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419020460 648328063 /nfs/dbraw/zinc/32/80/63/648328063.db2.gz KYEJZKSRRNVORV-NFAWXSAZSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419021409 648328088 /nfs/dbraw/zinc/32/80/88/648328088.db2.gz MBQRAOYVCYGELF-ACJLOTCBSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419028202 648328605 /nfs/dbraw/zinc/32/86/05/648328605.db2.gz WNYASQJOYPZBOA-CYBMUJFWSA-N 1 0 398.345 2.330 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000419046415 648329792 /nfs/dbraw/zinc/32/97/92/648329792.db2.gz YBILTELAROMCSR-GXTWGEPZSA-N 1 0 386.323 2.486 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000419050910 648330497 /nfs/dbraw/zinc/33/04/97/648330497.db2.gz DVFFPHPSVWHQGC-JSGCOSHPSA-N 1 0 384.318 2.130 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419054648 648330704 /nfs/dbraw/zinc/33/07/04/648330704.db2.gz MINYMUZDGMTMNF-MLGOLLRUSA-N 1 0 396.329 2.130 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419053675 648330776 /nfs/dbraw/zinc/33/07/76/648330776.db2.gz KIUDLLKDKJXTTH-HUUCEWRRSA-N 1 0 398.345 2.376 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000419053447 648330828 /nfs/dbraw/zinc/33/08/28/648330828.db2.gz JZGCLOCFQHGAFY-IIAWOOMASA-N 1 0 396.329 2.130 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419056308 648331159 /nfs/dbraw/zinc/33/11/59/648331159.db2.gz QKBARKHLGYTAPI-VNHYZAJKSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419057304 648331495 /nfs/dbraw/zinc/33/14/95/648331495.db2.gz UHGYXWBDCCYMLA-UMVBOHGHSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419056982 648331543 /nfs/dbraw/zinc/33/15/43/648331543.db2.gz SXKFMHUBOKQJEJ-XJKCOSOUSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419060718 648331982 /nfs/dbraw/zinc/33/19/82/648331982.db2.gz ZUAHAJXMQBLEJU-UONOGXRCSA-N 1 0 396.329 2.002 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419068352 648332512 /nfs/dbraw/zinc/33/25/12/648332512.db2.gz SSPMVNOBEYPIOS-JGGQBBKZSA-N 1 0 396.329 2.001 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419091207 648333374 /nfs/dbraw/zinc/33/33/74/648333374.db2.gz DBQYQSWVEQGRHV-LLVKDONJSA-N 1 0 392.352 2.315 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419100216 648334174 /nfs/dbraw/zinc/33/41/74/648334174.db2.gz UVOUSQALRMFWFD-UHFFFAOYSA-N 1 0 378.325 2.069 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419101907 648334199 /nfs/dbraw/zinc/33/41/99/648334199.db2.gz KLPCBHQOCKVLNY-GFCCVEGCSA-N 1 0 380.901 2.166 20 0 GEADRO CCCN(C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)[C@H]1CC[NH2+]C1 ZINC000419104105 648334471 /nfs/dbraw/zinc/33/44/71/648334471.db2.gz MJDJZFOJOWURPU-LBPRGKRZSA-N 1 0 380.901 2.166 20 0 GEADRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000419126538 648335576 /nfs/dbraw/zinc/33/55/76/648335576.db2.gz NJMHVEUFSXDGEN-INIZCTEOSA-N 1 0 377.897 2.429 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419125538 648335608 /nfs/dbraw/zinc/33/56/08/648335608.db2.gz JWZWDIQSXKLBAK-JKSUJKDBSA-N 1 0 377.897 2.427 20 0 GEADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419128677 648335913 /nfs/dbraw/zinc/33/59/13/648335913.db2.gz WYRVDYFRGNOQCU-LRDDRELGSA-N 1 0 377.897 2.333 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000419133582 648336310 /nfs/dbraw/zinc/33/63/10/648336310.db2.gz IVXYATSWVSBZDS-SMDDNHRTSA-N 1 0 388.295 2.074 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419135464 648336872 /nfs/dbraw/zinc/33/68/72/648336872.db2.gz MTKZOYFXLYWYDP-YPMHNXCESA-N 1 0 388.295 2.122 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419144132 648337017 /nfs/dbraw/zinc/33/70/17/648337017.db2.gz ZSUAWHIPMFJNIT-RYUDHWBXSA-N 1 0 388.693 2.105 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419142536 648337228 /nfs/dbraw/zinc/33/72/28/648337228.db2.gz YGYWAWBWXWDYSH-NWDGAFQWSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000419157887 648337994 /nfs/dbraw/zinc/33/79/94/648337994.db2.gz WZCLZVFELWBKEH-HUBLWGQQSA-N 1 0 382.302 2.355 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000419157222 648338015 /nfs/dbraw/zinc/33/80/15/648338015.db2.gz WCANIUIBNIPMLT-NEPJUHHUSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419161623 648338264 /nfs/dbraw/zinc/33/82/64/648338264.db2.gz DQMKNHSYJKJRKI-OAHLLOKOSA-N 1 0 384.318 2.206 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1Br ZINC000419162674 648338719 /nfs/dbraw/zinc/33/87/19/648338719.db2.gz HREPJHWRVPYESJ-CQSZACIVSA-N 1 0 396.329 2.268 20 0 GEADRO NCC(F)(F)CNC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000419173909 648339430 /nfs/dbraw/zinc/33/94/30/648339430.db2.gz MNCDPGZBCZZQPG-UHFFFAOYSA-N 1 0 394.249 2.242 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1Br ZINC000419181869 648339566 /nfs/dbraw/zinc/33/95/66/648339566.db2.gz GTVGKGXKJZAHLZ-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419184008 648340263 /nfs/dbraw/zinc/34/02/63/648340263.db2.gz CMGPSGBVQSNMOV-CYBMUJFWSA-N 1 0 396.329 2.183 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)c2ccccc2Br)CC[NH2+]1 ZINC000419190163 648340626 /nfs/dbraw/zinc/34/06/26/648340626.db2.gz QKKAPCUJRJSRBR-CHWSQXEVSA-N 1 0 396.329 2.100 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419195890 648341147 /nfs/dbraw/zinc/34/11/47/648341147.db2.gz YPNNLSQIHWOQRX-QWHCGFSZSA-N 1 0 396.329 2.052 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]C1 ZINC000419212746 648342133 /nfs/dbraw/zinc/34/21/33/648342133.db2.gz HRAXQGWPOZQIAT-KBXCAEBGSA-N 1 0 381.929 2.499 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419275993 648343766 /nfs/dbraw/zinc/34/37/66/648343766.db2.gz DGPPYPVLVFYLKM-SGTLLEGYSA-N 1 0 384.307 2.395 20 0 GEADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2csc(Br)c2)cc1 ZINC000419287515 648344735 /nfs/dbraw/zinc/34/47/35/648344735.db2.gz RLHVRKUNNKZUBC-SNVBAGLBSA-N 1 0 396.310 2.463 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000419300005 648345540 /nfs/dbraw/zinc/34/55/40/648345540.db2.gz KVBNZMLBKYOGKT-UHFFFAOYSA-N 1 0 384.318 2.316 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419304309 648346051 /nfs/dbraw/zinc/34/60/51/648346051.db2.gz UQSBZWGAGUGABP-GOSISDBHSA-N 1 0 396.329 2.188 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000419320404 648346656 /nfs/dbraw/zinc/34/66/56/648346656.db2.gz DRORSRTWXLMJGF-KBPBESRZSA-N 1 0 388.339 2.339 20 0 GEADRO C[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)[C@@H](C)C[N@@H+]1CCO ZINC000419322142 648346789 /nfs/dbraw/zinc/34/67/89/648346789.db2.gz GYPCZOOBOMQRPV-OLZOCXBDSA-N 1 0 395.301 2.386 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419338400 648348222 /nfs/dbraw/zinc/34/82/22/648348222.db2.gz SKRXFMAODRSEQT-LBPRGKRZSA-N 1 0 382.917 2.242 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nc2ccc(Br)cc2n1C ZINC000419341193 648348274 /nfs/dbraw/zinc/34/82/74/648348274.db2.gz NXUZLKGXGZYYDI-STQMWFEESA-N 1 0 381.318 2.223 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cc(Br)cs1 ZINC000419425061 648352205 /nfs/dbraw/zinc/35/22/05/648352205.db2.gz DOXBLPWMSAGSKP-WDEREUQCSA-N 1 0 376.320 2.107 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419448359 648353410 /nfs/dbraw/zinc/35/34/10/648353410.db2.gz BWNYVGMHAMHJHY-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCc1cccc(Br)c1 ZINC000419501998 648355302 /nfs/dbraw/zinc/35/53/02/648355302.db2.gz AOJAXLFAPPJOCE-ZIAGYGMSSA-N 1 0 384.318 2.088 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC000419519848 648355467 /nfs/dbraw/zinc/35/54/67/648355467.db2.gz GRZRAKUFOHRGHH-HNNXBMFYSA-N 1 0 396.329 2.101 20 0 GEADRO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1c(Cl)cccc1Cl ZINC000419513838 648355616 /nfs/dbraw/zinc/35/56/16/648355616.db2.gz GFFFRBBBBVIWPG-AGIUHOORSA-N 1 0 384.307 2.281 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000419520687 648356083 /nfs/dbraw/zinc/35/60/83/648356083.db2.gz IPAOQJWDXSXSGU-QWHCGFSZSA-N 1 0 396.329 2.039 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000419520581 648356139 /nfs/dbraw/zinc/35/61/39/648356139.db2.gz MSBHGLHDOGMIBK-LNCBFAARSA-N 1 0 396.329 2.402 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419586081 648356937 /nfs/dbraw/zinc/35/69/37/648356937.db2.gz LIHHLVPFPZOBJG-UVBJJODRSA-N 1 0 394.313 2.186 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)C(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000419636543 648359011 /nfs/dbraw/zinc/35/90/11/648359011.db2.gz SCEOZYZMQCMDRR-UHFFFAOYSA-N 1 0 394.324 2.028 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1cccc(Br)c1)C1CCCCC1 ZINC000419650389 648360027 /nfs/dbraw/zinc/36/00/27/648360027.db2.gz VCRCSCJGALEXEB-HNNXBMFYSA-N 1 0 382.302 2.089 20 0 GEADRO CC1(C)CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)O1 ZINC000419678957 648363159 /nfs/dbraw/zinc/36/31/59/648363159.db2.gz FJHZFPVGIYVCAW-LLVKDONJSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(F)(F)F ZINC000419685711 648364855 /nfs/dbraw/zinc/36/48/55/648364855.db2.gz NJFDUOKCMSHSAB-ZETCQYMHSA-N 1 0 375.210 2.385 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc(Br)s1)C1CCCCC1 ZINC000419695203 648366092 /nfs/dbraw/zinc/36/60/92/648366092.db2.gz RRSHNWAQKQNRIU-LBPRGKRZSA-N 1 0 388.331 2.151 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000419702839 648367374 /nfs/dbraw/zinc/36/73/74/648367374.db2.gz FKWHOXGYTKXYEG-VWYCJHECSA-N 1 0 388.331 2.322 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419706406 648368260 /nfs/dbraw/zinc/36/82/60/648368260.db2.gz JQTYJPQQEWARLZ-DCAQKATOSA-N 1 0 388.331 2.192 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)s2)C1 ZINC000419708200 648368672 /nfs/dbraw/zinc/36/86/72/648368672.db2.gz LSHZXPBTKXCWHI-GARJFASQSA-N 1 0 388.331 2.274 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCc1cc(Br)cs1 ZINC000419728864 648371672 /nfs/dbraw/zinc/37/16/72/648371672.db2.gz ZDFIUWYCPWGINO-LBPRGKRZSA-N 1 0 388.331 2.021 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419749398 648374504 /nfs/dbraw/zinc/37/45/04/648374504.db2.gz QDLGTXIGVAPNHJ-BLLLJJGKSA-N 1 0 396.329 2.001 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419752377 648374941 /nfs/dbraw/zinc/37/49/41/648374941.db2.gz WNBJYDVFNTXEBZ-INIZCTEOSA-N 1 0 396.329 2.132 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419755523 648375233 /nfs/dbraw/zinc/37/52/33/648375233.db2.gz DHPQYFPZTWHKAN-ZETCQYMHSA-N 1 0 384.210 2.065 20 0 GEADRO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419781035 648378171 /nfs/dbraw/zinc/37/81/71/648378171.db2.gz PJEVLXNTIZHXJF-CABCVRRESA-N 1 0 398.276 2.024 20 0 GEADRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000419785023 648378618 /nfs/dbraw/zinc/37/86/18/648378618.db2.gz XWANNUKRLVXAEA-TXEJJXNPSA-N 1 0 377.304 2.142 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000419786291 648379203 /nfs/dbraw/zinc/37/92/03/648379203.db2.gz YFDGQIIJPZJLMM-ZIAGYGMSSA-N 1 0 386.265 2.009 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3c(Br)cccc3C2)CCCCC1 ZINC000419805328 648380594 /nfs/dbraw/zinc/38/05/94/648380594.db2.gz QASIGYBDJIBTFR-UHFFFAOYSA-N 1 0 394.313 2.112 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000419808979 648380919 /nfs/dbraw/zinc/38/09/19/648380919.db2.gz GYVFHXRVUOEWAR-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)OCC1CC1 ZINC000419821358 648381820 /nfs/dbraw/zinc/38/18/20/648381820.db2.gz PQGPNFTYFAGHIF-UHFFFAOYSA-N 1 0 391.331 2.391 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(Br)cc1 ZINC000419828234 648383212 /nfs/dbraw/zinc/38/32/12/648383212.db2.gz UKIFAVUUBSTKRQ-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000419835144 648383588 /nfs/dbraw/zinc/38/35/88/648383588.db2.gz VACWPCWRGMNTHB-AWEZNQCLSA-N 1 0 386.265 2.107 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000419837263 648384134 /nfs/dbraw/zinc/38/41/34/648384134.db2.gz CTGFHZYLIQJVRR-VXGBXAGGSA-N 1 0 388.295 2.087 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000419840420 648384417 /nfs/dbraw/zinc/38/44/17/648384417.db2.gz IVNLZZCUXLAXDJ-WFASDCNBSA-N 1 0 398.276 2.120 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419848732 648385012 /nfs/dbraw/zinc/38/50/12/648385012.db2.gz WTUDYFZWJYKXIA-OAHLLOKOSA-N 1 0 382.302 2.054 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419851357 648385435 /nfs/dbraw/zinc/38/54/35/648385435.db2.gz AXWIQPMTUGEEIF-YIONKMFJSA-N 1 0 394.313 2.197 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419855924 648385826 /nfs/dbraw/zinc/38/58/26/648385826.db2.gz XODFWHIEYFIQSN-UHFFFAOYSA-N 1 0 380.901 2.051 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419855458 648385839 /nfs/dbraw/zinc/38/58/39/648385839.db2.gz HSWVMYQAULFFFQ-HNNXBMFYSA-N 1 0 396.329 2.302 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1)C1CC1 ZINC000419862204 648385877 /nfs/dbraw/zinc/38/58/77/648385877.db2.gz MVUXYFNTIJFLIE-QWRGUYRKSA-N 1 0 386.315 2.028 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419858759 648385911 /nfs/dbraw/zinc/38/59/11/648385911.db2.gz XKUCOENFUIEYDF-INIZCTEOSA-N 1 0 394.313 2.371 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC000419863229 648385942 /nfs/dbraw/zinc/38/59/42/648385942.db2.gz NRNFGLICTMRJKM-GJZGRUSLSA-N 1 0 398.276 2.105 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000419891039 648386917 /nfs/dbraw/zinc/38/69/17/648386917.db2.gz MQGBIMYKSIKEKL-GJZGRUSLSA-N 1 0 398.276 2.120 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000419906230 648387229 /nfs/dbraw/zinc/38/72/29/648387229.db2.gz BVLKIBGFHHGZBR-MRXNPFEDSA-N 1 0 377.535 2.400 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000419908546 648387796 /nfs/dbraw/zinc/38/77/96/648387796.db2.gz YPEDLBPIZSMMOS-DGCLKSJQSA-N 1 0 384.307 2.382 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419908778 648387804 /nfs/dbraw/zinc/38/78/04/648387804.db2.gz FJTMWQUGMDEZKT-ZDUSSCGKSA-N 1 0 394.313 2.056 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000419927113 648389030 /nfs/dbraw/zinc/38/90/30/648389030.db2.gz CGPKVSXFHNLLQM-ZDUSSCGKSA-N 1 0 384.318 2.158 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419931890 648389529 /nfs/dbraw/zinc/38/95/29/648389529.db2.gz DGYRHYBNHYPYRQ-QWHCGFSZSA-N 1 0 394.313 2.153 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000419970097 648392032 /nfs/dbraw/zinc/39/20/32/648392032.db2.gz BEECDLJKYKMOKG-QGZVFWFLSA-N 1 0 395.301 2.067 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000419979115 648392494 /nfs/dbraw/zinc/39/24/94/648392494.db2.gz PJZFSUAZZYHTOH-CYBMUJFWSA-N 1 0 390.709 2.160 20 0 GEADRO C[NH+](C)CCn1ccc(NCc2ncc(I)s2)n1 ZINC000512008151 648394538 /nfs/dbraw/zinc/39/45/38/648394538.db2.gz PRTRCSOXUZTXBJ-UHFFFAOYSA-N 1 0 377.255 2.118 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000420001112 648394628 /nfs/dbraw/zinc/39/46/28/648394628.db2.gz QWMIOSBHQKFTHM-KRWDZBQOSA-N 1 0 382.555 2.391 20 0 GEADRO Cc1cc(C2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)ccc1Br ZINC000420006761 648395064 /nfs/dbraw/zinc/39/50/64/648395064.db2.gz RMHPIXGGLVGHKA-CYBMUJFWSA-N 1 0 396.329 2.317 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420013000 648395553 /nfs/dbraw/zinc/39/55/53/648395553.db2.gz BKSHZURFOAUMCU-HIFRSBDPSA-N 1 0 382.302 2.041 20 0 GEADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000420023299 648396367 /nfs/dbraw/zinc/39/63/67/648396367.db2.gz ANXKZMAYAQBELD-IINYFYTJSA-N 1 0 388.295 2.181 20 0 GEADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000420023300 648396428 /nfs/dbraw/zinc/39/64/28/648396428.db2.gz ANXKZMAYAQBELD-QMTHXVAHSA-N 1 0 388.295 2.181 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000420019260 648396438 /nfs/dbraw/zinc/39/64/38/648396438.db2.gz QTTTUVHXOSXHNJ-QGZVFWFLSA-N 1 0 382.302 2.292 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420031385 648397353 /nfs/dbraw/zinc/39/73/53/648397353.db2.gz FKNXKSOXCUBROM-BFQNTYOBSA-N 1 0 394.313 2.138 20 0 GEADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000420042373 648397452 /nfs/dbraw/zinc/39/74/52/648397452.db2.gz QMDKCPAYXLOVGG-IINYFYTJSA-N 1 0 388.295 2.181 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420048889 648397804 /nfs/dbraw/zinc/39/78/04/648397804.db2.gz FRBGPNWMZHAPFH-CYBMUJFWSA-N 1 0 388.331 2.103 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000420053479 648398314 /nfs/dbraw/zinc/39/83/14/648398314.db2.gz DTIWGOMRDZWZDC-INIZCTEOSA-N 1 0 382.291 2.463 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000420053907 648398338 /nfs/dbraw/zinc/39/83/38/648398338.db2.gz DYIQLGAREPBIOY-CJNGLKHVSA-N 1 0 375.519 2.137 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420118079 648402740 /nfs/dbraw/zinc/40/27/40/648402740.db2.gz IFBCATLVRKBIAI-CJNGLKHVSA-N 1 0 396.329 2.443 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)CC[NH2+]1 ZINC000420119871 648403299 /nfs/dbraw/zinc/40/32/99/648403299.db2.gz JNKGIJMDMPLHET-JHJVBQTASA-N 1 0 394.313 2.152 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(CC)Cc1ccccc1Br ZINC000420132439 648404285 /nfs/dbraw/zinc/40/42/85/648404285.db2.gz YEGABXCDGTVDAK-AWEZNQCLSA-N 1 0 384.318 2.431 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000420168945 648407052 /nfs/dbraw/zinc/40/70/52/648407052.db2.gz VAJINWIYAZRWRO-UHFFFAOYSA-N 1 0 382.291 2.304 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420183795 648408194 /nfs/dbraw/zinc/40/81/94/648408194.db2.gz AHGPWKQEWRCHBD-HIFRSBDPSA-N 1 0 396.329 2.431 20 0 GEADRO C[C@@]1(F)C[NH2+]CCN(c2ncnc3cccc(I)c32)C1 ZINC000420256486 648411805 /nfs/dbraw/zinc/41/18/05/648411805.db2.gz CUHOOXLBYSAYOX-CQSZACIVSA-N 1 0 386.212 2.372 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000420449730 648417664 /nfs/dbraw/zinc/41/76/64/648417664.db2.gz NYGMQPWELSPWER-UHFFFAOYSA-N 1 0 381.267 2.017 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420465070 648418264 /nfs/dbraw/zinc/41/82/64/648418264.db2.gz VFFKDBSBZVNCSU-CXAGYDPISA-N 1 0 390.933 2.361 20 0 GEADRO [NH3+]CCC[C@@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1ccccc1 ZINC000420467912 648418761 /nfs/dbraw/zinc/41/87/61/648418761.db2.gz TVARDLPMJZPRNV-CQSZACIVSA-N 1 0 376.404 2.204 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420475920 648420843 /nfs/dbraw/zinc/42/08/43/648420843.db2.gz NROFKLJMSQTCPI-CXAGYDPISA-N 1 0 388.917 2.270 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)nn1 ZINC000420479397 648421286 /nfs/dbraw/zinc/42/12/86/648421286.db2.gz MXCQUQDZCRPDII-LBPRGKRZSA-N 1 0 390.296 2.069 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420480515 648421504 /nfs/dbraw/zinc/42/15/04/648421504.db2.gz OYZSQVQDNLNARL-VXGBXAGGSA-N 1 0 382.507 2.293 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)nn1 ZINC000420479395 648421569 /nfs/dbraw/zinc/42/15/69/648421569.db2.gz MXCQUQDZCRPDII-GFCCVEGCSA-N 1 0 390.296 2.069 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420743937 648447766 /nfs/dbraw/zinc/44/77/66/648447766.db2.gz XBEWXJPPQMWDQD-SNVBAGLBSA-N 1 0 395.294 2.312 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420767062 648453917 /nfs/dbraw/zinc/45/39/17/648453917.db2.gz MPJZBUBSARSUPH-GFCCVEGCSA-N 1 0 382.507 2.403 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000420774152 648456065 /nfs/dbraw/zinc/45/60/65/648456065.db2.gz YCMOGMGHWAZDHV-VIFPVBQESA-N 1 0 383.258 2.442 20 0 GEADRO CC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000420986184 648461981 /nfs/dbraw/zinc/46/19/81/648461981.db2.gz MEKIWMZEUUPQPM-CHWSQXEVSA-N 1 0 391.693 2.053 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421204108 648470442 /nfs/dbraw/zinc/47/04/42/648470442.db2.gz SBMBCDIHWNNQAI-CYBMUJFWSA-N 1 0 394.313 2.138 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421213460 648471509 /nfs/dbraw/zinc/47/15/09/648471509.db2.gz AOWPHRVGBGBKKF-UHFFFAOYSA-N 1 0 382.302 2.138 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421217294 648472465 /nfs/dbraw/zinc/47/24/65/648472465.db2.gz QKBJWJGTHVRFQY-UHFFFAOYSA-N 1 0 382.302 2.186 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000421300300 648486359 /nfs/dbraw/zinc/48/63/59/648486359.db2.gz OSMHZEZKYARHIG-CQSZACIVSA-N 1 0 394.313 2.429 20 0 GEADRO NC(=O)CC1(C[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000421350368 648488243 /nfs/dbraw/zinc/48/82/43/648488243.db2.gz LGDHZKPEGOBUMW-UHFFFAOYSA-N 1 0 377.080 2.352 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000421389530 648489856 /nfs/dbraw/zinc/48/98/56/648489856.db2.gz RKOGEANAQOIAIY-INIZCTEOSA-N 1 0 396.329 2.049 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000421701094 648505158 /nfs/dbraw/zinc/50/51/58/648505158.db2.gz HAGKIGBXRXWIKX-HZPDHXFCSA-N 1 0 381.929 2.408 20 0 GEADRO CC[C@H]([NH2+]C1CCN(OC)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000421883064 648510115 /nfs/dbraw/zinc/51/01/15/648510115.db2.gz STASAALVOWSPBR-HNNXBMFYSA-N 1 0 375.922 2.315 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(Br)cn3)CC2)CC1 ZINC000422015033 648517978 /nfs/dbraw/zinc/51/79/78/648517978.db2.gz GJNZGXYEFREVPR-UHFFFAOYSA-N 1 0 395.345 2.476 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422097944 648521897 /nfs/dbraw/zinc/52/18/97/648521897.db2.gz JLTGUIQTRZZXGF-GFCCVEGCSA-N 1 0 388.331 2.022 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422108680 648522993 /nfs/dbraw/zinc/52/29/93/648522993.db2.gz UVDZYSZSOVPGBU-LLVKDONJSA-N 1 0 388.331 2.022 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000422272145 648531693 /nfs/dbraw/zinc/53/16/93/648531693.db2.gz RPDCZIIISXFJPY-QLFBSQMISA-N 1 0 381.567 2.087 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccsc2Br)C1 ZINC000422337363 648537909 /nfs/dbraw/zinc/53/79/09/648537909.db2.gz KWXOBXCFPGFCPA-LBPRGKRZSA-N 1 0 388.331 2.068 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCc2cccc(Br)c2)CC[N@@H+]1C ZINC000422481802 648550151 /nfs/dbraw/zinc/55/01/51/648550151.db2.gz XPCKELKQUNFJBA-CZUORRHYSA-N 1 0 396.329 2.049 20 0 GEADRO CN(CC(=O)N1c2ccccc2C[C@H]1C[NH3+])C(=O)c1ccc(Br)o1 ZINC000422611136 648562090 /nfs/dbraw/zinc/56/20/90/648562090.db2.gz AHESQBPUWBJOSK-LBPRGKRZSA-N 1 0 392.253 2.031 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)NCCOc1ccc(I)cc1 ZINC000422613279 648562659 /nfs/dbraw/zinc/56/26/59/648562659.db2.gz CQVMXCCMDAERKU-UHFFFAOYSA-N 1 0 391.253 2.097 20 0 GEADRO Brc1ccccc1N1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422703482 648573572 /nfs/dbraw/zinc/57/35/72/648573572.db2.gz HVIKXEICFGAKSF-JCGIZDLHSA-N 1 0 380.330 2.384 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CNCC[C@H]2C)c1 ZINC000422907237 648576794 /nfs/dbraw/zinc/57/67/94/648576794.db2.gz LEJJFTZWNVETHZ-MLGOLLRUSA-N 1 0 384.318 2.165 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423107477 648580406 /nfs/dbraw/zinc/58/04/06/648580406.db2.gz SAMUASQNCKLKTH-UHFFFAOYSA-N 1 0 382.302 2.008 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423108476 648581040 /nfs/dbraw/zinc/58/10/40/648581040.db2.gz SYJUGJGXRGTIAP-HNNXBMFYSA-N 1 0 382.302 2.136 20 0 GEADRO CC(C)[C@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000423120624 648582408 /nfs/dbraw/zinc/58/24/08/648582408.db2.gz HKCVRMSNCZATEP-DOMZBBRYSA-N 1 0 384.318 2.305 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423127895 648583366 /nfs/dbraw/zinc/58/33/66/648583366.db2.gz PXWVVZKKTFWRDF-XJKSGUPXSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000423132973 648583829 /nfs/dbraw/zinc/58/38/29/648583829.db2.gz JSIPDZRAZFPZIS-MFKMUULPSA-N 1 0 378.274 2.239 20 0 GEADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423154846 648584951 /nfs/dbraw/zinc/58/49/51/648584951.db2.gz KDKHQUGLTKWETJ-DVOMOZLQSA-N 1 0 389.309 2.096 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000423171910 648586565 /nfs/dbraw/zinc/58/65/65/648586565.db2.gz QMKCXHVSQAUDBJ-BJJXKVORSA-N 1 0 394.313 2.308 20 0 GEADRO O=C(NCCSCCOc1cccc(Br)c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423195645 648587163 /nfs/dbraw/zinc/58/71/63/648587163.db2.gz XXLIPVPLTKONCS-WBMJQRKESA-N 1 0 385.327 2.429 20 0 GEADRO C[C@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423240616 648588344 /nfs/dbraw/zinc/58/83/44/648588344.db2.gz KTAVAUOGICLTQG-NHYWBVRUSA-N 1 0 398.326 2.447 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000423368297 648590042 /nfs/dbraw/zinc/59/00/42/648590042.db2.gz RUZJNQMZNUMUFP-CJNGLKHVSA-N 1 0 381.929 2.024 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000423359424 648590129 /nfs/dbraw/zinc/59/01/29/648590129.db2.gz KKQOBZXWUKNZMI-CVEARBPZSA-N 1 0 381.929 2.167 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000423362236 648590172 /nfs/dbraw/zinc/59/01/72/648590172.db2.gz MZHABAZXUJCDAD-QAPCUYQASA-N 1 0 381.929 2.154 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000423468488 648591547 /nfs/dbraw/zinc/59/15/47/648591547.db2.gz OKJRSNSYSIQXLK-GFCCVEGCSA-N 1 0 390.311 2.287 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)CC[C@@H]1[NH3+] ZINC000423478554 648592153 /nfs/dbraw/zinc/59/21/53/648592153.db2.gz NIJUMDOWQDYILJ-WQGACYEGSA-N 1 0 394.313 2.091 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)CC1 ZINC000423485024 648592612 /nfs/dbraw/zinc/59/26/12/648592612.db2.gz SUYNKIOQEMLKIV-LBPRGKRZSA-N 1 0 394.313 2.105 20 0 GEADRO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(F)c(I)c1 ZINC000423490037 648593077 /nfs/dbraw/zinc/59/30/77/648593077.db2.gz HHWNMISYPNPMLY-CMPLNLGQSA-N 1 0 378.229 2.459 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC000423501141 648593093 /nfs/dbraw/zinc/59/30/93/648593093.db2.gz AYOKAEVDKASADT-XHDPSFHLSA-N 1 0 398.276 2.059 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CNCCN1C ZINC000423511845 648593631 /nfs/dbraw/zinc/59/36/31/648593631.db2.gz KIPKJOLDOKCGEQ-BBRMVZONSA-N 1 0 387.309 2.106 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423550863 648594490 /nfs/dbraw/zinc/59/44/90/648594490.db2.gz BBRWSNKRSLCBFT-FZKQIMNGSA-N 1 0 394.313 2.181 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423550856 648594577 /nfs/dbraw/zinc/59/45/77/648594577.db2.gz BBRWSNKRSLCBFT-ACJLOTCBSA-N 1 0 394.313 2.181 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)CC1 ZINC000423550796 648594593 /nfs/dbraw/zinc/59/45/93/648594593.db2.gz AYOJPPGWXCJMQI-LBPRGKRZSA-N 1 0 382.302 2.179 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423540651 648594766 /nfs/dbraw/zinc/59/47/66/648594766.db2.gz AALNANIKPQORRZ-LBPRGKRZSA-N 1 0 388.693 2.011 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)c2ccccc2Br)C1 ZINC000423552170 648595010 /nfs/dbraw/zinc/59/50/10/648595010.db2.gz CNQAPOCTTYWBIP-OLZOCXBDSA-N 1 0 382.302 2.036 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000423552172 648595110 /nfs/dbraw/zinc/59/51/10/648595110.db2.gz CNQAPOCTTYWBIP-QWHCGFSZSA-N 1 0 382.302 2.036 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2 ZINC000423572227 648595928 /nfs/dbraw/zinc/59/59/28/648595928.db2.gz PLEBVLROOYCGCC-UHFFFAOYSA-N 1 0 396.329 2.086 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000423627745 648597580 /nfs/dbraw/zinc/59/75/80/648597580.db2.gz VAJGZHJHHJWHNO-HOCLYGCPSA-N 1 0 394.313 2.105 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000423738058 648600908 /nfs/dbraw/zinc/60/09/08/648600908.db2.gz GTGNWYDRVFHLSS-OAHLLOKOSA-N 1 0 383.286 2.267 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)[C@@H]1C[NH3+] ZINC000423743042 648601430 /nfs/dbraw/zinc/60/14/30/648601430.db2.gz UZNPVMSAEFYGAP-ZYHUDNBSSA-N 1 0 388.331 2.055 20 0 GEADRO CN(C(=O)c1ncc(Br)cc1Br)[C@H](C[NH3+])C1CC1 ZINC000423941029 648603563 /nfs/dbraw/zinc/60/35/63/648603563.db2.gz BUZZLOFMQQXOOR-SNVBAGLBSA-N 1 0 377.080 2.416 20 0 GEADRO COc1ccc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000423944907 648604088 /nfs/dbraw/zinc/60/40/88/648604088.db2.gz GGKGVNWZQKINGW-UHFFFAOYSA-N 1 0 396.329 2.404 20 0 GEADRO CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H](C[NH3+])C1CC1 ZINC000423942970 648604163 /nfs/dbraw/zinc/60/41/63/648604163.db2.gz FPERVCDDLOYMDA-AWEZNQCLSA-N 1 0 383.290 2.156 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)s2)CC1 ZINC000423958324 648605119 /nfs/dbraw/zinc/60/51/19/648605119.db2.gz QHLWCKWLOXCSMN-AWEZNQCLSA-N 1 0 387.571 2.272 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000423962019 648605712 /nfs/dbraw/zinc/60/57/12/648605712.db2.gz ULKCTHZZMDVHLJ-RISCZKNCSA-N 1 0 382.302 2.292 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)COc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000423995243 648607338 /nfs/dbraw/zinc/60/73/38/648607338.db2.gz DLEGYFRWRAAHFZ-GFCCVEGCSA-N 1 0 384.267 2.286 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(I)ccc2Cl)CCCO1 ZINC000424006659 648609073 /nfs/dbraw/zinc/60/90/73/648609073.db2.gz BKEXUTFLXMULED-SNVBAGLBSA-N 1 0 394.640 2.134 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C[NH3+] ZINC000424003555 648609199 /nfs/dbraw/zinc/60/91/99/648609199.db2.gz DQLMFIBZJOTOEX-IOASZLSFSA-N 1 0 394.313 2.245 20 0 GEADRO C[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)CCOCC2CC2)CC1 ZINC000424207872 648618003 /nfs/dbraw/zinc/61/80/03/648618003.db2.gz PHMNHDYTNQTRLZ-UHFFFAOYSA-N 1 0 387.933 2.260 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)C3(c4ccc(Br)cc4)CC3)C[C@H]2[NH3+])cn1 ZINC000424225658 648620493 /nfs/dbraw/zinc/62/04/93/648620493.db2.gz MVNOJUGJFRMKOO-JKSUJKDBSA-N 1 0 389.297 2.168 20 0 GEADRO COc1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(Br)c1OC ZINC000424295114 648622511 /nfs/dbraw/zinc/62/25/11/648622511.db2.gz PSQYZBGJGQDZDX-UONOGXRCSA-N 1 0 395.301 2.127 20 0 GEADRO CC[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000424333656 648623324 /nfs/dbraw/zinc/62/33/24/648623324.db2.gz WDVGUNVVUAODAX-SWLSCSKDSA-N 1 0 387.933 2.157 20 0 GEADRO C[C@@H](NC(=O)NCc1cc(Cl)cc(I)c1)[C@H](C)[NH3+] ZINC000424472893 648630018 /nfs/dbraw/zinc/63/00/18/648630018.db2.gz VOXYUNRSYUTAMN-JGVFFNPUSA-N 1 0 381.645 2.480 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)N[C@H]1CCC[NH2+]C1 ZINC000424481176 648631270 /nfs/dbraw/zinc/63/12/70/648631270.db2.gz QTOIPLVSPYVNAI-LBPRGKRZSA-N 1 0 393.656 2.496 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000424537887 648633639 /nfs/dbraw/zinc/63/36/39/648633639.db2.gz HQIKOXMTQVGMNZ-UHFFFAOYSA-N 1 0 384.318 2.086 20 0 GEADRO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000424988309 648659630 /nfs/dbraw/zinc/65/96/30/648659630.db2.gz FLPIXWZRVXVYDQ-UHFFFAOYSA-N 1 0 386.290 2.041 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425816085 648698189 /nfs/dbraw/zinc/69/81/89/648698189.db2.gz UHISLANIHKAYPG-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426107764 648703901 /nfs/dbraw/zinc/70/39/01/648703901.db2.gz BHFDLQKAOYAAIR-SNVBAGLBSA-N 1 0 397.850 2.360 20 0 GEADRO CC1(C)CN(C(=O)CCOc2cccc(I)c2)CC[NH2+]1 ZINC000426692680 648713491 /nfs/dbraw/zinc/71/34/91/648713491.db2.gz UXVVIVCFXAQKGZ-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000426859559 648716549 /nfs/dbraw/zinc/71/65/49/648716549.db2.gz QTSXEICOMZETAF-SWLSCSKDSA-N 1 0 388.331 2.208 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)COc1ccc(I)cc1 ZINC000427717490 648726012 /nfs/dbraw/zinc/72/60/12/648726012.db2.gz BUEJUARQMFNQNJ-CYBMUJFWSA-N 1 0 388.249 2.223 20 0 GEADRO C[C@H]1CN(Cc2ncc(Br)cc2Br)CC[N@@H+]1CCO ZINC000428472741 648734814 /nfs/dbraw/zinc/73/48/14/648734814.db2.gz JLOWKGSLCSFGMS-JTQLQIEISA-N 1 0 393.123 2.105 20 0 GEADRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000428556803 648736299 /nfs/dbraw/zinc/73/62/99/648736299.db2.gz HDTMSBFYCYUSTN-XMMPIXPASA-N 1 0 381.519 2.134 20 0 GEADRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)cc1 ZINC000428556802 648736517 /nfs/dbraw/zinc/73/65/17/648736517.db2.gz HDTMSBFYCYUSTN-DEOSSOPVSA-N 1 0 381.519 2.134 20 0 GEADRO CCCN(C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000429108306 648744785 /nfs/dbraw/zinc/74/47/85/648744785.db2.gz GBRHZFNJKQUZLW-IUODEOHRSA-N 1 0 382.302 2.168 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000429133105 648745961 /nfs/dbraw/zinc/74/59/61/648745961.db2.gz HCCLOOTYNWZAFT-HUUCEWRRSA-N 1 0 384.318 2.303 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000429132493 648745991 /nfs/dbraw/zinc/74/59/91/648745991.db2.gz WWNBFDYRGSPKTQ-TYNCELHUSA-N 1 0 382.302 2.153 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429265987 648748506 /nfs/dbraw/zinc/74/85/06/648748506.db2.gz IDMDJJOTDYDWGF-MRXNPFEDSA-N 1 0 385.306 2.450 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000429271339 648748627 /nfs/dbraw/zinc/74/86/27/648748627.db2.gz JAEGDEXROVZXGI-AWEZNQCLSA-N 1 0 386.237 2.271 20 0 GEADRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429292064 648749851 /nfs/dbraw/zinc/74/98/51/648749851.db2.gz HWBGLJKTHJCKMR-BMIGLBTASA-N 1 0 383.286 2.340 20 0 GEADRO C[C@H](CNC(=O)c1c(I)cnn1C)[N@@H+]1CCCC[C@H]1C ZINC000429868059 648756269 /nfs/dbraw/zinc/75/62/69/648756269.db2.gz RXMACLPCOZRNIH-GHMZBOCLSA-N 1 0 390.269 2.017 20 0 GEADRO C[C@H]1CCCN(CC(=O)Nc2ccc(I)cc2)[C@H]1C[NH3+] ZINC000430545736 648763395 /nfs/dbraw/zinc/76/33/95/648763395.db2.gz QSWAIGHUWOSLDC-FZMZJTMJSA-N 1 0 387.265 2.289 20 0 GEADRO CC(C)[C@@H](O)CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430700681 648765305 /nfs/dbraw/zinc/76/53/05/648765305.db2.gz SSPQZQKDAWVYDI-MFKMUULPSA-N 1 0 379.320 2.154 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000430709584 648765774 /nfs/dbraw/zinc/76/57/74/648765774.db2.gz OCADPWAKTZGABA-CQSZACIVSA-N 1 0 382.302 2.073 20 0 GEADRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)nc1 ZINC000430730163 648767168 /nfs/dbraw/zinc/76/71/68/648767168.db2.gz IPSOSQMVUJSBKK-NSHDSACASA-N 1 0 399.314 2.088 20 0 GEADRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430749704 648767517 /nfs/dbraw/zinc/76/75/17/648767517.db2.gz LDULABYURIORHZ-MNOVXSKESA-N 1 0 377.304 2.174 20 0 GEADRO COC1(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000430743836 648767529 /nfs/dbraw/zinc/76/75/29/648767529.db2.gz LUJUTRSEGILMSE-SNVBAGLBSA-N 1 0 377.304 2.316 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430940429 648770527 /nfs/dbraw/zinc/77/05/27/648770527.db2.gz KCNJTIYQIBRRMI-IJLUTSLNSA-N 1 0 387.265 2.300 20 0 GEADRO C[NH2+]C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000430936543 648770559 /nfs/dbraw/zinc/77/05/59/648770559.db2.gz ZKEIPWQOGOSFPI-VXGBXAGGSA-N 1 0 387.265 2.160 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000432525438 648777661 /nfs/dbraw/zinc/77/76/61/648777661.db2.gz HRWPOVKTZBYTDV-BXUZGUMPSA-N 1 0 383.290 2.075 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000432705139 648778218 /nfs/dbraw/zinc/77/82/18/648778218.db2.gz IDJXNLYAILGVNC-UHFFFAOYSA-N 1 0 384.318 2.357 20 0 GEADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000435725761 648786539 /nfs/dbraw/zinc/78/65/39/648786539.db2.gz ZPEYQPYEMILOQQ-STQMWFEESA-N 1 0 376.448 2.026 20 0 GEADRO Cc1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1S(C)(=O)=O ZINC000435896470 648789294 /nfs/dbraw/zinc/78/92/94/648789294.db2.gz GUKQMRCQTHKTGO-INIZCTEOSA-N 1 0 380.897 2.238 20 0 GEADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435909435 648789863 /nfs/dbraw/zinc/78/98/63/648789863.db2.gz ZLCKNBXUPOUCCS-CXAGYDPISA-N 1 0 390.285 2.417 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000439132952 648809038 /nfs/dbraw/zinc/80/90/38/648809038.db2.gz RHOHGRIYGIGLCT-OAHLLOKOSA-N 1 0 391.306 2.447 20 0 GEADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)C1 ZINC000440743067 648811697 /nfs/dbraw/zinc/81/16/97/648811697.db2.gz XAFSKFLYMOCLQP-CABCVRRESA-N 1 0 388.917 2.270 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c(Br)c1 ZINC000440745055 648811729 /nfs/dbraw/zinc/81/17/29/648811729.db2.gz FHKNOAANOPRAJM-MFKMUULPSA-N 1 0 377.304 2.206 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)[C@@H](C)C[NH2+]1 ZINC000440758325 648812444 /nfs/dbraw/zinc/81/24/44/648812444.db2.gz MCALRFMHWUESFT-RDBSUJKOSA-N 1 0 388.917 2.126 20 0 GEADRO Cc1nc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)sc1C ZINC000440805210 648814150 /nfs/dbraw/zinc/81/41/50/648814150.db2.gz DRPGANIOERSERY-WFASDCNBSA-N 1 0 387.477 2.462 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000440814256 648814616 /nfs/dbraw/zinc/81/46/16/648814616.db2.gz ZQFJOTINXXZYCX-VIFPVBQESA-N 1 0 383.258 2.477 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000440842280 648816207 /nfs/dbraw/zinc/81/62/07/648816207.db2.gz DWNJKPMEUNZTSL-OAHLLOKOSA-N 1 0 376.906 2.414 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)C[C@@H]1[NH3+] ZINC000440846263 648816309 /nfs/dbraw/zinc/81/63/09/648816309.db2.gz SWUWAHVXQSCYDV-SNPRPXQTSA-N 1 0 388.917 2.256 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@@H](C[NH3+])C1 ZINC000440849415 648816820 /nfs/dbraw/zinc/81/68/20/648816820.db2.gz RJIUFPVDLHWSGI-NXEZZACHSA-N 1 0 397.722 2.229 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000440852103 648817367 /nfs/dbraw/zinc/81/73/67/648817367.db2.gz HKWXIEKHSAWKRX-NWDGAFQWSA-N 1 0 386.823 2.486 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000440851489 648817473 /nfs/dbraw/zinc/81/74/73/648817473.db2.gz WCGCGFPBTIGQRU-STQMWFEESA-N 1 0 376.906 2.113 20 0 GEADRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2c(F)cccc2Br)C[C@@H]1C ZINC000441119340 648820914 /nfs/dbraw/zinc/82/09/14/648820914.db2.gz UVPGZYDHBKTCIF-QWRGUYRKSA-N 1 0 386.265 2.468 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cccc2c[nH]nc21)c1ccc(Cl)cc1F ZINC000441376756 648826436 /nfs/dbraw/zinc/82/64/36/648826436.db2.gz FOGRCTCVGBWNBW-UHFFFAOYSA-N 1 0 382.848 2.424 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000441542022 648831463 /nfs/dbraw/zinc/83/14/63/648831463.db2.gz CUEUGKRIOLGFPF-NSHDSACASA-N 1 0 397.310 2.223 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000441543612 648831830 /nfs/dbraw/zinc/83/18/30/648831830.db2.gz OARRSHLOBRKFBA-HNNXBMFYSA-N 1 0 382.448 2.482 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000442613884 648846371 /nfs/dbraw/zinc/84/63/71/648846371.db2.gz GEYFKGKPSSWCCM-SNVBAGLBSA-N 1 0 398.248 2.369 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc(Br)s1 ZINC000442730285 648848088 /nfs/dbraw/zinc/84/80/88/648848088.db2.gz QNQVLTHNACCCEP-OUAUKWLOSA-N 1 0 388.331 2.274 20 0 GEADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442862038 648851489 /nfs/dbraw/zinc/85/14/89/648851489.db2.gz NRUATFNMUMZUIE-NSHDSACASA-N 1 0 394.896 2.467 20 0 GEADRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)C1(C)C ZINC000442889816 648852203 /nfs/dbraw/zinc/85/22/03/648852203.db2.gz MBWIRKIEJBMSNK-HZPDHXFCSA-N 1 0 376.469 2.425 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)s1 ZINC000443391979 648875447 /nfs/dbraw/zinc/87/54/47/648875447.db2.gz IYVQKHCKXKRBJY-GHMZBOCLSA-N 1 0 388.331 2.098 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000548504515 651078955 /nfs/dbraw/zinc/07/89/55/651078955.db2.gz CUJGXDMJTJCCII-GJZGRUSLSA-N 1 0 381.523 2.361 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000548999466 651091186 /nfs/dbraw/zinc/09/11/86/651091186.db2.gz YPEUCMCWUJMULU-UHFFFAOYSA-N 1 0 382.555 2.442 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(F)cc1Cl ZINC000549039199 651091815 /nfs/dbraw/zinc/09/18/15/651091815.db2.gz FRILSGKILKRVCS-APHBMKBZSA-N 1 0 388.892 2.305 20 0 GEADRO C[N@@H+](Cc1ccc(F)cc1Br)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000549161684 651092775 /nfs/dbraw/zinc/09/27/75/651092775.db2.gz GCZHLRSABOGCNR-NSHDSACASA-N 1 0 379.295 2.302 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc4c(cc3Br)OCO4)[C@H]2C1 ZINC000549827598 651101702 /nfs/dbraw/zinc/10/17/02/651101702.db2.gz CQOVNGMVMUMIMA-LSDHHAIUSA-N 1 0 383.286 2.473 20 0 GEADRO C[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)[C@@H]1C ZINC000549924514 651103431 /nfs/dbraw/zinc/10/34/31/651103431.db2.gz YQPDLESWRRVAPJ-CHWSQXEVSA-N 1 0 386.359 2.495 20 0 GEADRO COc1cnc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nc1 ZINC000550211435 651106989 /nfs/dbraw/zinc/10/69/89/651106989.db2.gz JBMJGNHYZOPNEA-UHFFFAOYSA-N 1 0 393.285 2.452 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000550329629 651109464 /nfs/dbraw/zinc/10/94/64/651109464.db2.gz BSUURKVCEBNJJB-CQSZACIVSA-N 1 0 398.345 2.344 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCSc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000550451808 651111729 /nfs/dbraw/zinc/11/17/29/651111729.db2.gz PDHYFMRCNMYJQX-JSGCOSHPSA-N 1 0 381.929 2.290 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000550493888 651112556 /nfs/dbraw/zinc/11/25/56/651112556.db2.gz YPKSGZHRTZPMMU-LBPRGKRZSA-N 1 0 397.317 2.012 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000550700217 651114045 /nfs/dbraw/zinc/11/40/45/651114045.db2.gz VBXHKILWUVWVGP-JLSDUUJJSA-N 1 0 382.551 2.356 20 0 GEADRO CC[C@@H]1c2ccsc2CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550839029 651115845 /nfs/dbraw/zinc/11/58/45/651115845.db2.gz OCBBIKIYYUDQRS-KDOFPFPSSA-N 1 0 381.567 2.137 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000550901242 651116446 /nfs/dbraw/zinc/11/64/46/651116446.db2.gz ZJEILAWHWQETIF-KGLIPLIRSA-N 1 0 378.336 2.371 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(OCCO)cc1 ZINC000550937082 651116691 /nfs/dbraw/zinc/11/66/91/651116691.db2.gz BBVKRVZWQGHMNW-CYBMUJFWSA-N 1 0 381.270 2.160 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)CCSC1 ZINC000551214851 651120387 /nfs/dbraw/zinc/12/03/87/651120387.db2.gz HDOSIXPDUCLCLF-MRXNPFEDSA-N 1 0 390.336 2.163 20 0 GEADRO O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)NCCc1cccc(Cl)c1Cl ZINC000551422120 651124428 /nfs/dbraw/zinc/12/44/28/651124428.db2.gz WHSJKBNNWWNQBV-KSSFIOAISA-N 1 0 384.307 2.299 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2nccs2)[C@H]1c1cccs1 ZINC000551543109 651128100 /nfs/dbraw/zinc/12/81/00/651128100.db2.gz RQPNEDWTLXOUJT-WFASDCNBSA-N 1 0 378.523 2.020 20 0 GEADRO O=C1CC[C@H]([NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](C2CC2)N1 ZINC000551720250 651130614 /nfs/dbraw/zinc/13/06/14/651130614.db2.gz QUMSPEAHMVYPDB-XJKSGUPXSA-N 1 0 391.320 2.414 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)C[C@@H](C)O1 ZINC000551750790 651131772 /nfs/dbraw/zinc/13/17/72/651131772.db2.gz WHJMGHQLFJXQMG-HLNSBACISA-N 1 0 398.345 2.355 20 0 GEADRO Ic1cccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000551809080 651133215 /nfs/dbraw/zinc/13/32/15/651133215.db2.gz YGQXAYWUBKQKAW-HNNXBMFYSA-N 1 0 386.277 2.445 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552208518 651143818 /nfs/dbraw/zinc/14/38/18/651143818.db2.gz QAUKHOFGOWCBSO-SCLBCKFNSA-N 1 0 381.314 2.201 20 0 GEADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552324520 651146691 /nfs/dbraw/zinc/14/66/91/651146691.db2.gz BEXHTEUPEQSPFX-RISCZKNCSA-N 1 0 392.352 2.344 20 0 GEADRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1ncc(Br)cn1 ZINC000552385873 651147939 /nfs/dbraw/zinc/14/79/39/651147939.db2.gz OEANVCIPIZVGNJ-BXUZGUMPSA-N 1 0 383.290 2.060 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552485522 651150517 /nfs/dbraw/zinc/15/05/17/651150517.db2.gz AYKIVONTZOQRJY-AWEZNQCLSA-N 1 0 384.307 2.395 20 0 GEADRO C[C@H]1C[N@H+](CCCNC(=O)c2cn3ccc(Br)cc3n2)CCCO1 ZINC000552498731 651150971 /nfs/dbraw/zinc/15/09/71/651150971.db2.gz LONXDKPDNPUSDX-ZDUSSCGKSA-N 1 0 395.301 2.328 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCCOc1cccc(Br)c1 ZINC000553050032 651162857 /nfs/dbraw/zinc/16/28/57/651162857.db2.gz WOERAQMQKCRJKK-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO C[C@H]1CN(C(=O)CCn2cc(Br)ccc2=O)CC[N@@H+](C2CCC2)C1 ZINC000553525429 651178948 /nfs/dbraw/zinc/17/89/48/651178948.db2.gz DLFFJKGUJGFLCJ-CQSZACIVSA-N 1 0 396.329 2.334 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](CO)c2ccccc2Cl)cc1 ZINC000553571402 651181493 /nfs/dbraw/zinc/18/14/93/651181493.db2.gz KCFGRYPWWLWDKU-HNNXBMFYSA-N 1 0 382.913 2.456 20 0 GEADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000553577324 651182036 /nfs/dbraw/zinc/18/20/36/651182036.db2.gz ZUVFLZHZLXFYQW-UHFFFAOYSA-N 1 0 382.452 2.332 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)Nc4ccc(Br)cc43)C2)C1 ZINC000553794612 651188687 /nfs/dbraw/zinc/18/86/87/651188687.db2.gz PJYBEUWIWFBKBY-RDTXWAMCSA-N 1 0 392.297 2.429 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1n[nH]cc1Br ZINC000553922418 651194363 /nfs/dbraw/zinc/19/43/63/651194363.db2.gz UBPMMBLJTIPTGD-UHFFFAOYSA-N 1 0 384.278 2.429 20 0 GEADRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)CCS2 ZINC000554090497 651197623 /nfs/dbraw/zinc/19/76/23/651197623.db2.gz TXFQBRRRJIWHEL-CJNGLKHVSA-N 1 0 385.555 2.093 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cccc(OC(F)F)c1 ZINC000554091592 651197709 /nfs/dbraw/zinc/19/77/09/651197709.db2.gz HUYLOXCLLZOZNZ-GXTWGEPZSA-N 1 0 377.457 2.209 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCc1n[nH]cc1Br)c1ccc(F)cc1 ZINC000554507426 651205836 /nfs/dbraw/zinc/20/58/36/651205836.db2.gz HCBMAGWVKBYPTN-AWEZNQCLSA-N 1 0 384.253 2.413 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Br)ccc2C(=O)OC)CC1 ZINC000554820380 651213792 /nfs/dbraw/zinc/21/37/92/651213792.db2.gz LRWDJFKHOMPGEQ-HNNXBMFYSA-N 1 0 385.302 2.124 20 0 GEADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000555309759 651222546 /nfs/dbraw/zinc/22/25/46/651222546.db2.gz VTOZHBJBPLADFD-RISCZKNCSA-N 1 0 380.286 2.285 20 0 GEADRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000556062166 651235800 /nfs/dbraw/zinc/23/58/00/651235800.db2.gz NWVZJKUCPQJRFG-VQCLRJIVSA-N 1 0 388.555 2.312 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000556137321 651237054 /nfs/dbraw/zinc/23/70/54/651237054.db2.gz KVVXZGTZBRMFHB-JHJVBQTASA-N 1 0 386.480 2.177 20 0 GEADRO COc1cc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)sc1S(N)(=O)=O ZINC000556152901 651237433 /nfs/dbraw/zinc/23/74/33/651237433.db2.gz IDSGQVIELPAHSK-UHFFFAOYSA-N 1 0 383.495 2.026 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000556479808 651245329 /nfs/dbraw/zinc/24/53/29/651245329.db2.gz BTKZQNKABZZJIJ-UHFFFAOYSA-N 1 0 393.285 2.346 20 0 GEADRO COC(=O)c1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000556619104 651248072 /nfs/dbraw/zinc/24/80/72/651248072.db2.gz REQKBYIDZYUKAO-QWHCGFSZSA-N 1 0 385.302 2.123 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556744052 651251191 /nfs/dbraw/zinc/25/11/91/651251191.db2.gz GMRICCCMUAKCPI-SNVBAGLBSA-N 1 0 378.274 2.361 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc(F)c1Br ZINC000556810993 651253686 /nfs/dbraw/zinc/25/36/86/651253686.db2.gz NJUYHSNYVOBWIW-NSHDSACASA-N 1 0 386.265 2.293 20 0 GEADRO C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000556904318 651256597 /nfs/dbraw/zinc/25/65/97/651256597.db2.gz KBXCFXKDWQFJLI-GFCCVEGCSA-N 1 0 390.311 2.335 20 0 GEADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)[C@H]1CCOC1 ZINC000556916149 651256903 /nfs/dbraw/zinc/25/69/03/651256903.db2.gz XIAMJDVGSDXWSJ-OLZOCXBDSA-N 1 0 391.331 2.132 20 0 GEADRO COc1c(Br)cc(C[NH2+]C[C@@H]2CNCCO2)cc1Br ZINC000556963677 651258388 /nfs/dbraw/zinc/25/83/88/651258388.db2.gz WTXFHRDAQXQQLD-JTQLQIEISA-N 1 0 394.107 2.298 20 0 GEADRO O=C(CNC(=O)Cc1ccccc1Br)NCC[NH+]1CCCCCC1 ZINC000557126771 651263666 /nfs/dbraw/zinc/26/36/66/651263666.db2.gz HBSXPJQRYAQKCJ-UHFFFAOYSA-N 1 0 396.329 2.100 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1OC ZINC000557140840 651264347 /nfs/dbraw/zinc/26/43/47/651264347.db2.gz YZZSOIKADXVKRN-DGCLKSJQSA-N 1 0 398.301 2.217 20 0 GEADRO O=C(NCCc1cc(Cl)ccc1Br)NC[C@H]1C[NH2+]CCCO1 ZINC000557177175 651265829 /nfs/dbraw/zinc/26/58/29/651265829.db2.gz IQTXJLWQYGNLKH-CYBMUJFWSA-N 1 0 390.709 2.323 20 0 GEADRO CCC[N@H+](C)[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000557340873 651268695 /nfs/dbraw/zinc/26/86/95/651268695.db2.gz GSAPRHIKFBXRFY-OAHLLOKOSA-N 1 0 389.949 2.167 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)C(C)(C)n1cncn1 ZINC000558493793 651280718 /nfs/dbraw/zinc/28/07/18/651280718.db2.gz KRVBIJWJEVIOLQ-QWHCGFSZSA-N 1 0 383.290 2.194 20 0 GEADRO C[C@@H](O)C[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000558740604 651283936 /nfs/dbraw/zinc/28/39/36/651283936.db2.gz AOHPAGOMCODTLR-BFYDXBDKSA-N 1 0 388.961 2.235 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN(C)[C@H](C)CN1CCOCC1 ZINC000558741728 651283953 /nfs/dbraw/zinc/28/39/53/651283953.db2.gz KJEZQJODHWVUCE-CYBMUJFWSA-N 1 0 385.302 2.388 20 0 GEADRO O=S(=O)(CC[C@H]1CCOC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000559032737 651290402 /nfs/dbraw/zinc/29/04/02/651290402.db2.gz MHJNTZJNZFVAJZ-MRXNPFEDSA-N 1 0 376.588 2.084 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000559244681 651293661 /nfs/dbraw/zinc/29/36/61/651293661.db2.gz TZJLTQILYHKHKD-INIZCTEOSA-N 1 0 380.330 2.060 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NC1CCCC1 ZINC000559346435 651296047 /nfs/dbraw/zinc/29/60/47/651296047.db2.gz MJQRZLWNFURQDY-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO O=C(NC[C@H](O)COc1ccccc1Br)c1ccc2c[nH+]cn2c1 ZINC000559546757 651297455 /nfs/dbraw/zinc/29/74/55/651297455.db2.gz MFSZLHFBAHQEDE-AWEZNQCLSA-N 1 0 390.237 2.267 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1Br ZINC000559617304 651299014 /nfs/dbraw/zinc/29/90/14/651299014.db2.gz CKNMJWJWZHFYOR-AWEZNQCLSA-N 1 0 382.302 2.056 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000559650820 651300397 /nfs/dbraw/zinc/30/03/97/651300397.db2.gz LTFZRIVSFUHPSD-CYBMUJFWSA-N 1 0 398.345 2.200 20 0 GEADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000560590558 651312058 /nfs/dbraw/zinc/31/20/58/651312058.db2.gz PUGAISFGLVFDSA-UHFFFAOYSA-N 1 0 382.917 2.304 20 0 GEADRO CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(I)cc2)nn1 ZINC000603190697 651471446 /nfs/dbraw/zinc/47/14/46/651471446.db2.gz DFQMUJLHUKVAIO-SNVBAGLBSA-N 1 0 399.236 2.192 20 0 GEADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642692599 651473732 /nfs/dbraw/zinc/47/37/32/651473732.db2.gz DOCDKJXXCDZXQW-NILFDRSVSA-N 1 0 379.913 2.204 20 0 GEADRO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000642808272 651475071 /nfs/dbraw/zinc/47/50/71/651475071.db2.gz NSRGONNJSJHIOA-XPTSAGLGSA-N 1 0 386.265 2.009 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000642919970 651475831 /nfs/dbraw/zinc/47/58/31/651475831.db2.gz QQSBRVNUCPTZMW-OAHLLOKOSA-N 1 0 398.276 2.120 20 0 GEADRO Ic1cnc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)nc1 ZINC000720406045 651476075 /nfs/dbraw/zinc/47/60/75/651476075.db2.gz LTZBRKIYFIVWGV-MNOVXSKESA-N 1 0 376.267 2.073 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642982482 651476709 /nfs/dbraw/zinc/47/67/09/651476709.db2.gz VTMMMUSZMOEFMJ-HNNXBMFYSA-N 1 0 382.302 2.056 20 0 GEADRO C[C@@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1(Cl)CC1 ZINC000721811221 651477539 /nfs/dbraw/zinc/47/75/39/651477539.db2.gz CRFIQIWHLNEJOM-OLZOCXBDSA-N 1 0 380.938 2.160 20 0 GEADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000643094152 651477767 /nfs/dbraw/zinc/47/77/67/651477767.db2.gz WORAKPLHAVVTHT-ZDUSSCGKSA-N 1 0 383.543 2.098 20 0 GEADRO COc1cnc(NCC2([NH+](C)C)CCOCC2)c(I)c1 ZINC000603296599 651478058 /nfs/dbraw/zinc/47/80/58/651478058.db2.gz VNZSSNWPNWUDCC-UHFFFAOYSA-N 1 0 391.253 2.218 20 0 GEADRO COC(=O)C1CC[NH+](CCCNc2ncnc3nc(SC)sc32)CC1 ZINC000725787304 651479124 /nfs/dbraw/zinc/47/91/24/651479124.db2.gz HJUFSUILSPTCRW-UHFFFAOYSA-N 1 0 381.527 2.495 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000603383477 651487641 /nfs/dbraw/zinc/48/76/41/651487641.db2.gz OLOLAAGNAIZLTD-UHFFFAOYSA-N 1 0 386.901 2.233 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Br)s1 ZINC000562062302 651487898 /nfs/dbraw/zinc/48/78/98/651487898.db2.gz PCZKVEGTRUBISP-WDEREUQCSA-N 1 0 396.376 2.432 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000643477526 651488495 /nfs/dbraw/zinc/48/84/95/651488495.db2.gz FNUDJLLKPAFOPD-JQWIXIFHSA-N 1 0 388.331 2.055 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000643477524 651488659 /nfs/dbraw/zinc/48/86/59/651488659.db2.gz FNUDJLLKPAFOPD-CMPLNLGQSA-N 1 0 388.331 2.055 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)c(F)cc1Br ZINC000643549923 651489898 /nfs/dbraw/zinc/48/98/98/651489898.db2.gz UPSOFVYEMGJCGN-UHFFFAOYSA-N 1 0 384.249 2.190 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ncc(I)s1 ZINC000603433888 651491652 /nfs/dbraw/zinc/49/16/52/651491652.db2.gz JGOGCSIWXUQLKV-ZJUUUORDSA-N 1 0 391.278 2.447 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603435808 651492472 /nfs/dbraw/zinc/49/24/72/651492472.db2.gz ZNHFOJWGKXQVPY-OLZOCXBDSA-N 1 0 387.265 2.254 20 0 GEADRO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000562364861 651493336 /nfs/dbraw/zinc/49/33/36/651493336.db2.gz DHUPXQOKVZOCPZ-MRXNPFEDSA-N 1 0 396.329 2.433 20 0 GEADRO COc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c(Br)c1 ZINC000643673760 651494607 /nfs/dbraw/zinc/49/46/07/651494607.db2.gz PVEQSTCXOROSNH-JTQLQIEISA-N 1 0 380.246 2.226 20 0 GEADRO COc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c(Br)c1 ZINC000643673761 651494674 /nfs/dbraw/zinc/49/46/74/651494674.db2.gz PVEQSTCXOROSNH-SNVBAGLBSA-N 1 0 380.246 2.226 20 0 GEADRO O=C(Nc1nnc(SCc2ccccc2)s1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000562746506 651500971 /nfs/dbraw/zinc/50/09/71/651500971.db2.gz AXPQOTYHHUBBAH-ZIAGYGMSSA-N 1 0 375.523 2.904 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000562976430 651504481 /nfs/dbraw/zinc/50/44/81/651504481.db2.gz FRQQEHXDBVSEKE-OAHLLOKOSA-N 1 0 385.302 2.275 20 0 GEADRO Cc1cccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1Br ZINC000563096891 651509650 /nfs/dbraw/zinc/50/96/50/651509650.db2.gz NMVDIHKIMCMJPL-UHFFFAOYSA-N 1 0 378.274 2.204 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604204856 651510274 /nfs/dbraw/zinc/51/02/74/651510274.db2.gz AXXUQLGZNLNYIX-AAEUAGOBSA-N 1 0 388.295 2.269 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2=O)ccc1Br ZINC000563170115 651513815 /nfs/dbraw/zinc/51/38/15/651513815.db2.gz OZFYGGJYEQFZFV-JHJVBQTASA-N 1 0 382.302 2.352 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCCN(C)C2)cc(I)c1OC ZINC000604487513 651514388 /nfs/dbraw/zinc/51/43/88/651514388.db2.gz PJMKEIHSKNCCFP-GFCCVEGCSA-N 1 0 390.265 2.492 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000604496063 651514508 /nfs/dbraw/zinc/51/45/08/651514508.db2.gz MUQGJBKIZWRETA-OAHLLOKOSA-N 1 0 375.460 2.430 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644015708 651514742 /nfs/dbraw/zinc/51/47/42/651514742.db2.gz ZTVQEGCITDWINZ-LLVKDONJSA-N 1 0 375.803 2.038 20 0 GEADRO CC(C)NC(=O)CNC(=S)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000727274850 651517570 /nfs/dbraw/zinc/51/75/70/651517570.db2.gz GLRJEGGKRROCLE-MRXNPFEDSA-N 1 0 382.961 2.466 20 0 GEADRO CCc1ccc(S(=O)(=O)N(CCn2ccnc2)Cc2cnn(C)c2)s1 ZINC000563227001 651518004 /nfs/dbraw/zinc/51/80/04/651518004.db2.gz RVOBTMATBXIWQF-UHFFFAOYSA-N 1 0 379.511 2.132 20 0 GEADRO C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CN2CC[NH+](CC3CC3)CC2)C1=O ZINC000727420338 651519721 /nfs/dbraw/zinc/51/97/21/651519721.db2.gz LTEMYQWUWDNZFR-KRWDZBQOSA-N 1 0 382.917 2.154 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]3C)n2)s1 ZINC000563251701 651520432 /nfs/dbraw/zinc/52/04/32/651520432.db2.gz MXUUUJGHEIGMTN-NSHDSACASA-N 1 0 379.511 2.032 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[NH2+]C1CC1 ZINC000644083391 651520462 /nfs/dbraw/zinc/52/04/62/651520462.db2.gz RUKTYIRJSVLYDX-OAHLLOKOSA-N 1 0 382.302 2.072 20 0 GEADRO Cn1ccnc1[C@@H]1CNCCN1C(=O)CCc1ccc(Br)cc1F ZINC000644128934 651522574 /nfs/dbraw/zinc/52/25/74/651522574.db2.gz BBCCDWUCWOIGTN-HNNXBMFYSA-N 1 0 395.276 2.427 20 0 GEADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1C[NH2+]CCC1(F)F ZINC000644150813 651523548 /nfs/dbraw/zinc/52/35/48/651523548.db2.gz CRLXYULTQIZXPN-KCJUWKMLSA-N 1 0 379.176 2.383 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563302019 651523628 /nfs/dbraw/zinc/52/36/28/651523628.db2.gz KCZPPBQAPLZYGW-UHFFFAOYSA-N 1 0 396.329 2.385 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)NC2(c3noc(C(F)F)n3)CCC2)CCSC1 ZINC000644178857 651524327 /nfs/dbraw/zinc/52/43/27/651524327.db2.gz XFIFDYWSCFGHPT-AWEZNQCLSA-N 1 0 375.445 2.123 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Br)c2C)CC1 ZINC000563428958 651524782 /nfs/dbraw/zinc/52/47/82/651524782.db2.gz NBAMPSNUBKCAGY-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC[N@@H+](C2CCC2)C1 ZINC000644263211 651528518 /nfs/dbraw/zinc/52/85/18/651528518.db2.gz LQUJZNAZWVHNMC-ZDUSSCGKSA-N 1 0 385.555 2.167 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000605058485 651528689 /nfs/dbraw/zinc/52/86/89/651528689.db2.gz XKZJLQQGKMGZET-DLBZAZTESA-N 1 0 396.329 2.232 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000605058487 651528743 /nfs/dbraw/zinc/52/87/43/651528743.db2.gz XKZJLQQGKMGZET-IRXDYDNUSA-N 1 0 396.329 2.232 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CCC[NH2+]1 ZINC000563522080 651529148 /nfs/dbraw/zinc/52/91/48/651529148.db2.gz IIJXEKFAWVTOCP-HFAKWTLXSA-N 1 0 388.331 2.434 20 0 GEADRO C[NH+](C)C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)c1ccc(Cl)cc1 ZINC000563541468 651531368 /nfs/dbraw/zinc/53/13/68/651531368.db2.gz RAPRZQWDCWDOEB-ZDUSSCGKSA-N 1 0 384.885 2.412 20 0 GEADRO C[NH+](C)C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)c1ccc(Cl)cc1 ZINC000563541467 651531593 /nfs/dbraw/zinc/53/15/93/651531593.db2.gz RAPRZQWDCWDOEB-CYBMUJFWSA-N 1 0 384.885 2.412 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644297550 651532007 /nfs/dbraw/zinc/53/20/07/651532007.db2.gz AWCXPEVQYGGTJJ-GZBFAFLISA-N 1 0 388.917 2.078 20 0 GEADRO C[NH+](C)CCN(C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)C1CCCCC1 ZINC000563547319 651532104 /nfs/dbraw/zinc/53/21/04/651532104.db2.gz SBPWPRPFEDHZGO-UHFFFAOYSA-N 1 0 387.933 2.324 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644298617 651532423 /nfs/dbraw/zinc/53/24/23/651532423.db2.gz FWJDGYXZCYCVDS-WCQYABFASA-N 1 0 389.315 2.172 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644298506 651532668 /nfs/dbraw/zinc/53/26/68/651532668.db2.gz GEQHMPRVEXFXSX-MFKMUULPSA-N 1 0 377.279 2.221 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cccc(Br)c3Cl)[C@@H]2C1 ZINC000644302972 651534031 /nfs/dbraw/zinc/53/40/31/651534031.db2.gz ZMJYPGPHLYZSDK-MWLCHTKSSA-N 1 0 379.707 2.427 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000605439179 651537811 /nfs/dbraw/zinc/53/78/11/651537811.db2.gz XRXMLLHOFXNFEK-LLVKDONJSA-N 1 0 388.331 2.231 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)s1 ZINC000728171439 651539158 /nfs/dbraw/zinc/53/91/58/651539158.db2.gz JZBOXGHYLWUBRW-GFCCVEGCSA-N 1 0 380.413 2.238 20 0 GEADRO C[NH+](C)CCCNC(=S)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000728451041 651544198 /nfs/dbraw/zinc/54/41/98/651544198.db2.gz ILAJSPUSUAPELC-CQSZACIVSA-N 1 0 385.375 2.444 20 0 GEADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000563879966 651546294 /nfs/dbraw/zinc/54/62/94/651546294.db2.gz CMDPYUFIJTWCSC-CQSZACIVSA-N 1 0 380.539 2.250 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000606053314 651548417 /nfs/dbraw/zinc/54/84/17/651548417.db2.gz BSUDIFHGNGOYBE-LLVKDONJSA-N 1 0 386.265 2.373 20 0 GEADRO C[C@H](C[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)S(C)(=O)=O ZINC000644522280 651551912 /nfs/dbraw/zinc/55/19/12/651551912.db2.gz ISRCEIHAUACZPF-XJKCOSOUSA-N 1 0 392.924 2.264 20 0 GEADRO CC1(C)COCCN1CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000644546041 651552929 /nfs/dbraw/zinc/55/29/29/651552929.db2.gz NIDZCEJFUWWSCI-ZDUSSCGKSA-N 1 0 377.312 2.434 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644554550 651553449 /nfs/dbraw/zinc/55/34/49/651553449.db2.gz QNHIRJVKDCMOJO-HUBLWGQQSA-N 1 0 380.432 2.447 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)[C@H](C)N1CCOCC1 ZINC000644547792 651553492 /nfs/dbraw/zinc/55/34/92/651553492.db2.gz TXXWQQSEZPGOLR-KGLIPLIRSA-N 1 0 384.318 2.477 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)CCC2 ZINC000644553775 651553520 /nfs/dbraw/zinc/55/35/20/651553520.db2.gz NDVYPWFILUGWLT-KCPJHIHWSA-N 1 0 378.416 2.147 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)C(F)(F)F ZINC000644559567 651554067 /nfs/dbraw/zinc/55/40/67/651554067.db2.gz FKJJIDRYIRSHBW-GFCCVEGCSA-N 1 0 383.208 2.310 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)C(F)(F)F ZINC000644559573 651554147 /nfs/dbraw/zinc/55/41/47/651554147.db2.gz FKJJIDRYIRSHBW-LBPRGKRZSA-N 1 0 383.208 2.310 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]CC2(O)CCCC2)c1 ZINC000644557726 651554413 /nfs/dbraw/zinc/55/44/13/651554413.db2.gz PCBOZXTYMKCQKG-UHFFFAOYSA-N 1 0 385.302 2.472 20 0 GEADRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1)N1CCOCC1 ZINC000728912762 651554770 /nfs/dbraw/zinc/55/47/70/651554770.db2.gz WZABYDOVQVZIHT-NVXWUHKLSA-N 1 0 397.313 2.053 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000564120707 651555373 /nfs/dbraw/zinc/55/53/73/651555373.db2.gz QXXAFRJBHXFWIC-OAHLLOKOSA-N 1 0 390.347 2.200 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCc2c[nH]nc2C1)COc1cc(F)cc(Br)c1 ZINC000644591773 651556711 /nfs/dbraw/zinc/55/67/11/651556711.db2.gz UVCQVGRCBPHSGF-ZIAGYGMSSA-N 1 0 384.249 2.198 20 0 GEADRO CCNC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644595698 651557388 /nfs/dbraw/zinc/55/73/88/651557388.db2.gz YIDXIEYVDGGLSV-RYUDHWBXSA-N 1 0 376.284 2.127 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000606724529 651558026 /nfs/dbraw/zinc/55/80/26/651558026.db2.gz XBQTVYYTDWNOOD-NSHDSACASA-N 1 0 375.416 2.332 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644625668 651559163 /nfs/dbraw/zinc/55/91/63/651559163.db2.gz GFYGKTUOVWJLNX-OAUYIBNBSA-N 1 0 394.295 2.143 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)[C@H]1OC ZINC000644622397 651559209 /nfs/dbraw/zinc/55/92/09/651559209.db2.gz WSCVTYYWQSMCKP-RBSFLKMASA-N 1 0 392.315 2.005 20 0 GEADRO O=C1CCCCN1CCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000564202727 651560582 /nfs/dbraw/zinc/56/05/82/651560582.db2.gz XVOJZMUTDHENHC-HNNXBMFYSA-N 1 0 385.302 2.181 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000607036177 651564616 /nfs/dbraw/zinc/56/46/16/651564616.db2.gz RFUNMSSTZVAFBM-UHFFFAOYSA-N 1 0 384.318 2.369 20 0 GEADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@@](C)(O)CN1CCOCC1 ZINC000564411213 651565175 /nfs/dbraw/zinc/56/51/75/651565175.db2.gz MLUJTLAJAZASGE-QGZVFWFLSA-N 1 0 376.328 2.232 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000564443609 651566980 /nfs/dbraw/zinc/56/69/80/651566980.db2.gz RQLMPLFAWZPBMN-UONOGXRCSA-N 1 0 394.313 2.450 20 0 GEADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644785464 651569077 /nfs/dbraw/zinc/56/90/77/651569077.db2.gz YOJGEVIZQDILMN-IIYDPXPESA-N 1 0 377.312 2.120 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000644815548 651569848 /nfs/dbraw/zinc/56/98/48/651569848.db2.gz PQCVMLIXHZQQND-WFASDCNBSA-N 1 0 395.301 2.123 20 0 GEADRO CCOc1c(Cl)cccc1C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000564605183 651569987 /nfs/dbraw/zinc/56/99/87/651569987.db2.gz GRIDCKYXRYUYCA-OAHLLOKOSA-N 1 0 389.949 2.489 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000564622170 651570608 /nfs/dbraw/zinc/57/06/08/651570608.db2.gz CTYXOQILHZMRGL-RISCZKNCSA-N 1 0 380.286 2.333 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)[C@H]2C1 ZINC000644816204 651570686 /nfs/dbraw/zinc/57/06/86/651570686.db2.gz USLJLIULLDWDKU-WBMJQRKESA-N 1 0 375.270 2.411 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CCCC(=O)N1 ZINC000644834634 651571174 /nfs/dbraw/zinc/57/11/74/651571174.db2.gz DUASEEDFGNAELD-ZDUSSCGKSA-N 1 0 397.317 2.054 20 0 GEADRO C[NH+]1CCC(NC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000729584469 651572026 /nfs/dbraw/zinc/57/20/26/651572026.db2.gz ZUOJGTQZLICQAD-HNNXBMFYSA-N 1 0 379.810 2.483 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc3sccc3s2)cn1 ZINC000607557210 651575270 /nfs/dbraw/zinc/57/52/70/651575270.db2.gz TXTBUVDVZSENPO-UHFFFAOYSA-N 1 0 377.495 2.089 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000644955021 651579039 /nfs/dbraw/zinc/57/90/39/651579039.db2.gz LSODEODREBFGGC-SJORKVTESA-N 1 0 396.329 2.186 20 0 GEADRO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1)[C@@H]1CCOC1 ZINC000564791204 651579830 /nfs/dbraw/zinc/57/98/30/651579830.db2.gz KTMSOIFYEUELSA-KBRIMQKVSA-N 1 0 378.270 2.316 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCCC(=O)N1 ZINC000564874509 651581804 /nfs/dbraw/zinc/58/18/04/651581804.db2.gz DUASEEDFGNAELD-CYBMUJFWSA-N 1 0 397.317 2.054 20 0 GEADRO C[C@H](CC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000564993987 651587029 /nfs/dbraw/zinc/58/70/29/651587029.db2.gz HBGPQQRXTVQDKN-MRRJBJDNSA-N 1 0 396.329 2.460 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(Br)c2)C[C@H](C)O1 ZINC000565300572 651592029 /nfs/dbraw/zinc/59/20/29/651592029.db2.gz UQXGVWBXKXWCGR-FRULXJFHSA-N 1 0 383.330 2.365 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000565315229 651592793 /nfs/dbraw/zinc/59/27/93/651592793.db2.gz PSIBRQKYBKBPAH-UHFFFAOYSA-N 1 0 381.267 2.147 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GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000569463972 651715725 /nfs/dbraw/zinc/71/57/25/651715725.db2.gz AJAOWQXFGFMQMU-CZUORRHYSA-N 1 0 396.329 2.049 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000569603831 651720178 /nfs/dbraw/zinc/72/01/78/651720178.db2.gz ZTWCHKXZXWBOJE-KBPBESRZSA-N 1 0 394.313 2.403 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000569606788 651720747 /nfs/dbraw/zinc/72/07/47/651720747.db2.gz HTHDZIDIANULPO-NWDGAFQWSA-N 1 0 391.331 2.245 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c2ccc(Br)cc2n1 ZINC000646847963 651724123 /nfs/dbraw/zinc/72/41/23/651724123.db2.gz HXZPGTBZHBLBNM-MEDUHNTESA-N 1 0 378.270 2.494 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(CC(=O)Nc3cccc(Cl)c3Cl)C2)nn1 ZINC000569795464 651724576 /nfs/dbraw/zinc/72/45/76/651724576.db2.gz WFXPQDRIBNCISB-GFCCVEGCSA-N 1 0 383.283 2.319 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)CCO1 ZINC000646858976 651724844 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CNC(=O)C1([NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)CCCC1 ZINC000733896383 651728164 /nfs/dbraw/zinc/72/81/64/651728164.db2.gz ZFMOVZKZGMDVDC-LBPRGKRZSA-N 1 0 382.302 2.275 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)[C@H]2C1 ZINC000646919377 651728376 /nfs/dbraw/zinc/72/83/76/651728376.db2.gz GXFZGSJNOONHGD-YPMHNXCESA-N 1 0 376.507 2.162 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)[C@@H]2C1 ZINC000646919376 651728556 /nfs/dbraw/zinc/72/85/56/651728556.db2.gz GXFZGSJNOONHGD-WCQYABFASA-N 1 0 376.507 2.162 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N(C)CCC[NH+](C)C)c1 ZINC000569907826 651732938 /nfs/dbraw/zinc/73/29/38/651732938.db2.gz FCONJYYFYUZCPW-UHFFFAOYSA-N 1 0 375.922 2.227 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000647201543 651735280 /nfs/dbraw/zinc/73/52/80/651735280.db2.gz RGKUQPXUPKASLD-GXTWGEPZSA-N 1 0 376.906 2.174 20 0 GEADRO O=S(=O)(NC[C@H]1CCCC[NH2+]1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000647201509 651735421 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CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000647278167 651740594 /nfs/dbraw/zinc/74/05/94/651740594.db2.gz GQVGXWWEABFILK-WFASDCNBSA-N 1 0 385.555 2.098 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000570035654 651741114 /nfs/dbraw/zinc/74/11/14/651741114.db2.gz NKWKNCRVRHXJAM-AWEZNQCLSA-N 1 0 397.317 2.432 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000647293611 651742136 /nfs/dbraw/zinc/74/21/36/651742136.db2.gz SDLAUSKUFCTJCK-IUCAKERBSA-N 1 0 385.686 2.423 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612015230 651741842 /nfs/dbraw/zinc/74/18/42/651741842.db2.gz RLJLSSWAMBMETD-ZDUSSCGKSA-N 1 0 385.277 2.311 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc21 ZINC000647324405 651743837 /nfs/dbraw/zinc/74/38/37/651743837.db2.gz VTPQYWUGPVMHEG-NSHDSACASA-N 1 0 396.257 2.202 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000570082387 651745490 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CN1CC[NH+](CC2CN(C(=O)CCc3cccc(Br)c3)C2)CC1 ZINC000647824872 651761463 /nfs/dbraw/zinc/76/14/63/651761463.db2.gz BUXNBHQQANAESM-UHFFFAOYSA-N 1 0 380.330 2.088 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000647834194 651761863 /nfs/dbraw/zinc/76/18/63/651761863.db2.gz YBALFSDTMNHNCG-DAXOMENPSA-N 1 0 381.929 2.406 20 0 GEADRO CC(C)[C@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000647930562 651766498 /nfs/dbraw/zinc/76/64/98/651766498.db2.gz IYRXSKABXJZRSL-OAHLLOKOSA-N 1 0 375.332 2.153 20 0 GEADRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000570422224 651766558 /nfs/dbraw/zinc/76/65/58/651766558.db2.gz LSJRUHZNZLHFTD-ZFWWWQNUSA-N 1 0 378.416 2.426 20 0 GEADRO CC[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000647936970 651767293 /nfs/dbraw/zinc/76/72/93/651767293.db2.gz ONNDHUCAEYLETB-DOMZBBRYSA-N 1 0 375.332 2.282 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000570452159 651768448 /nfs/dbraw/zinc/76/84/48/651768448.db2.gz IUNDESFYCHQWHX-ZBEGNZNMSA-N 1 0 390.311 2.319 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647985820 651768332 /nfs/dbraw/zinc/76/83/32/651768332.db2.gz DEBFXCXENWREIK-KGLIPLIRSA-N 1 0 396.329 2.463 20 0 GEADRO O=C(NCCCc1cccc(Br)c1)C1(n2cccn2)CC[NH2+]CC1 ZINC000648079262 651773089 /nfs/dbraw/zinc/77/30/89/651773089.db2.gz PHSXBBHOPQDWIV-UHFFFAOYSA-N 1 0 391.313 2.473 20 0 GEADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000648090500 651773749 /nfs/dbraw/zinc/77/37/49/651773749.db2.gz WLMAILBKZAFCQY-AWEZNQCLSA-N 1 0 375.441 2.412 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000648079319 651773789 /nfs/dbraw/zinc/77/37/89/651773789.db2.gz WRLWVPXJHIREPA-MRXNPFEDSA-N 1 0 396.329 2.446 20 0 GEADRO C[C@]1(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000612871123 651773897 /nfs/dbraw/zinc/77/38/97/651773897.db2.gz LECLMFZQSKGCRU-GUYCJALGSA-N 1 0 381.318 2.327 20 0 GEADRO COc1ccc(Br)cc1C1(NC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000648191654 651775684 /nfs/dbraw/zinc/77/56/84/651775684.db2.gz VAICJBMBUJVFHH-CYBMUJFWSA-N 1 0 383.286 2.332 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)NC[C@H](CO)Cc2ccccc2Br)C1 ZINC000570580968 651776600 /nfs/dbraw/zinc/77/66/00/651776600.db2.gz AGCMYDMAHJOHGF-CQSZACIVSA-N 1 0 383.330 2.448 20 0 GEADRO O=C(CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Nc1ccc(Br)cc1 ZINC000612970701 651777262 /nfs/dbraw/zinc/77/72/62/651777262.db2.gz LCKYCGZYUFCBNE-CQSZACIVSA-N 1 0 395.301 2.219 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(Br)cc4c3OCCO4)[C@@H]2C1 ZINC000613328141 651783552 /nfs/dbraw/zinc/78/35/52/651783552.db2.gz JUTLVNRFQLNXSL-SMDDNHRTSA-N 1 0 381.270 2.387 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCOc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000570710157 651785501 /nfs/dbraw/zinc/78/55/01/651785501.db2.gz KPVLDLSRRVMSOW-HZSPNIEDSA-N 1 0 377.312 2.432 20 0 GEADRO CSc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000570719036 651786707 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20 0 GEADRO COC(=O)c1nn(CN2CCC[C@H]2C[NH+]2CCCC2)c(C)c1Br ZINC000738103450 651880639 /nfs/dbraw/zinc/88/06/39/651880639.db2.gz DKXWBEAZYPHOGJ-ZDUSSCGKSA-N 1 0 385.306 2.258 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccc(Br)s2)CCC1)CN1CCOCC1 ZINC000572275722 651882456 /nfs/dbraw/zinc/88/24/56/651882456.db2.gz ASZPPUBVPBCALF-CYBMUJFWSA-N 1 0 389.359 2.215 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(Cn3ncc4c3cccc4Br)CC2)C1 ZINC000738214652 651886508 /nfs/dbraw/zinc/88/65/08/651886508.db2.gz PVUJEQDDYZHMLF-HNNXBMFYSA-N 1 0 392.345 2.468 20 0 GEADRO O=C(Cc1c(Cl)cccc1Br)NCC[NH+]1CCC(O)CC1 ZINC000615991914 651887362 /nfs/dbraw/zinc/88/73/62/651887362.db2.gz UORSQBHPBAAAFH-UHFFFAOYSA-N 1 0 375.694 2.218 20 0 GEADRO C[NH+](C)CCOc1ccccc1N1CCN(Cn2ncsc2=S)CC1 ZINC000738285024 651889456 /nfs/dbraw/zinc/88/94/56/651889456.db2.gz NZNUSBHAFKASJN-UHFFFAOYSA-N 1 0 379.555 2.394 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000651631787 651891010 /nfs/dbraw/zinc/89/10/10/651891010.db2.gz OWQFDYFSNAOKDT-GFCCVEGCSA-N 1 0 398.276 2.436 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)c1c(O)cnc2c(Br)cccc21 ZINC000572449975 651893107 /nfs/dbraw/zinc/89/31/07/651893107.db2.gz LOAGVMQGFDERSA-UHFFFAOYSA-N 1 0 394.269 2.155 20 0 GEADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000572482558 651895119 /nfs/dbraw/zinc/89/51/19/651895119.db2.gz ZGPBTQRBTQIEHH-JTQLQIEISA-N 1 0 381.723 2.474 20 0 GEADRO COc1ccc(CCC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000616342121 651896237 /nfs/dbraw/zinc/89/62/37/651896237.db2.gz WAXARUPZAWRRES-UONOGXRCSA-N 1 0 399.329 2.304 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)[C@@H]2C1 ZINC000616419605 651899032 /nfs/dbraw/zinc/89/90/32/651899032.db2.gz SLRZGVNILZWGIG-TVQRCGJNSA-N 1 0 379.258 2.197 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000572577262 651900781 /nfs/dbraw/zinc/90/07/81/651900781.db2.gz FLDGDYLMHKJXIU-IEBWSBKVSA-N 1 0 393.325 2.226 20 0 GEADRO 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C[NH+](C)CC1CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000742669345 651996717 /nfs/dbraw/zinc/99/67/17/651996717.db2.gz IWJKWPRTVMBUQM-UHFFFAOYSA-N 1 0 383.286 2.441 20 0 GEADRO [NH3+]CCCN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000574088476 652000388 /nfs/dbraw/zinc/00/03/88/652000388.db2.gz AUSVVMWFVCLABC-UHFFFAOYSA-N 1 0 378.826 2.264 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Br ZINC000655633540 652002008 /nfs/dbraw/zinc/00/20/08/652002008.db2.gz VEURMGGBARSMES-PHIMTYICSA-N 1 0 377.304 2.076 20 0 GEADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305443 652003494 /nfs/dbraw/zinc/00/34/94/652003494.db2.gz VAFBAYKDWVWBCZ-LBPRGKRZSA-N 1 0 390.311 2.239 20 0 GEADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305442 652003669 /nfs/dbraw/zinc/00/36/69/652003669.db2.gz VAFBAYKDWVWBCZ-GFCCVEGCSA-N 1 0 390.311 2.239 20 0 GEADRO C[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1ccc(Br)cc1 ZINC000618306631 652003785 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CC(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000574270353 652012016 /nfs/dbraw/zinc/01/20/16/652012016.db2.gz BLCBHGLVDOFESS-CYBMUJFWSA-N 1 0 391.281 2.080 20 0 GEADRO COCC[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000574274292 652012497 /nfs/dbraw/zinc/01/24/97/652012497.db2.gz QFOTYKFKKOYGOU-HUUCEWRRSA-N 1 0 388.295 2.055 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)c(C2CC2)cc1Cl ZINC000655955376 652015049 /nfs/dbraw/zinc/01/50/49/652015049.db2.gz ULENXBPKXJSKBU-LLVKDONJSA-N 1 0 375.803 2.263 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H]2C)C[C@H]1c1ccc(Br)cc1 ZINC000574318988 652015647 /nfs/dbraw/zinc/01/56/47/652015647.db2.gz LZANQFJYKKPXBN-IPOQPSJVSA-N 1 0 395.297 2.162 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)COc1cccc(I)c1 ZINC000574311180 652015757 /nfs/dbraw/zinc/01/57/57/652015757.db2.gz APOKYXSYNKNPDX-BXUZGUMPSA-N 1 0 388.249 2.304 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C(F)(F)F ZINC000655959593 652016222 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0 GEADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cc(COC)cs2)cc1 ZINC000657333725 652161768 /nfs/dbraw/zinc/16/17/68/652161768.db2.gz VUVDISJHVTXAKE-UHFFFAOYSA-N 1 0 384.523 2.109 20 0 GEADRO COC[C@@H](C)Oc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000657414344 652164190 /nfs/dbraw/zinc/16/41/90/652164190.db2.gz XKXCABKIHLZGJM-CQSZACIVSA-N 1 0 384.523 2.230 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000657463837 652165882 /nfs/dbraw/zinc/16/58/82/652165882.db2.gz RJDGLUTXAAGCNL-CYBMUJFWSA-N 1 0 376.320 2.056 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000657462737 652165995 /nfs/dbraw/zinc/16/59/95/652165995.db2.gz DWIBGBOAFJMBSZ-MQVJKMGUSA-N 1 0 395.345 2.326 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000657463838 652166015 /nfs/dbraw/zinc/16/60/15/652166015.db2.gz RJDGLUTXAAGCNL-ZDUSSCGKSA-N 1 0 376.320 2.056 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000657463715 652166132 /nfs/dbraw/zinc/16/61/32/652166132.db2.gz GDLWYFJILKYORK-SWLSCSKDSA-N 1 0 390.347 2.350 20 0 GEADRO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000747530048 652167998 /nfs/dbraw/zinc/16/79/98/652167998.db2.gz JLZVTMPCVHCBNL-INIZCTEOSA-N 1 0 390.933 2.139 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=S)NCc2ccc(Br)cc2)CC1 ZINC000747645676 652171717 /nfs/dbraw/zinc/17/17/17/652171717.db2.gz HBXFZHSDMDEJCX-AWEZNQCLSA-N 1 0 399.402 2.439 20 0 GEADRO CN1CC[NH+](CCCCNC(=S)NCc2ccc(Br)cc2)CC1 ZINC000747646526 652172162 /nfs/dbraw/zinc/17/21/62/652172162.db2.gz JLTJPIAGGCPLTQ-UHFFFAOYSA-N 1 0 399.402 2.441 20 0 GEADRO C[N@@H+]1CCCN(CCNC(=S)NCc2ccc(Br)cc2)CC1 ZINC000747652109 652172870 /nfs/dbraw/zinc/17/28/70/652172870.db2.gz RMDSXJRNOXHGEV-UHFFFAOYSA-N 1 0 385.375 2.051 20 0 GEADRO CCn1nc(C)c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1C ZINC000657564056 652173188 /nfs/dbraw/zinc/17/31/88/652173188.db2.gz SPFDHHAQSBSJJC-UHFFFAOYSA-N 1 0 380.290 2.197 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1Br ZINC000622013415 652174489 /nfs/dbraw/zinc/17/44/89/652174489.db2.gz PCSGBJDBIKVDBR-IAQYHMDHSA-N 1 0 389.315 2.350 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)Cc1cc(F)ccc1Br)C2 ZINC000622015256 652175844 /nfs/dbraw/zinc/17/58/44/652175844.db2.gz SVEWANZHYKXTRR-FZMZJTMJSA-N 1 0 377.279 2.231 20 0 GEADRO OCCO[C@]1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCOC1 ZINC000657598982 652178068 /nfs/dbraw/zinc/17/80/68/652178068.db2.gz XSSZGKGGYYCVGN-KRWDZBQOSA-N 1 0 396.285 2.097 20 0 GEADRO O=S(=O)(CC[NH2+][C@H](CO)C1CCCC1)c1ccc(Br)cc1 ZINC000577309109 652178626 /nfs/dbraw/zinc/17/86/26/652178626.db2.gz XKSJMOJETAJGTN-OAHLLOKOSA-N 1 0 376.316 2.364 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C)c1ccc(Br)cc1 ZINC000577356233 652181306 /nfs/dbraw/zinc/18/13/06/652181306.db2.gz HHUHKVMIPMYEHU-KNXALSJPSA-N 1 0 382.302 2.355 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000577364332 652181914 /nfs/dbraw/zinc/18/19/14/652181914.db2.gz RXSCANWSOQSPIN-OAHLLOKOSA-N 1 0 386.677 2.253 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]Cc1c(-c2ccccc2)nc2sccn21 ZINC000747852263 652182135 /nfs/dbraw/zinc/18/21/35/652182135.db2.gz JRZPGKHQNKGPHT-UHFFFAOYSA-N 1 0 378.523 2.482 20 0 GEADRO C[C@H]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CS1(=O)=O ZINC000657637351 652183169 /nfs/dbraw/zinc/18/31/69/652183169.db2.gz HKHVLKIBWAMZNN-DZGCQCFKSA-N 1 0 384.929 2.500 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1SC ZINC000657651489 652185944 /nfs/dbraw/zinc/18/59/44/652185944.db2.gz DXIAUURJUNRFHD-ZDUSSCGKSA-N 1 0 385.917 2.227 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000657650768 652186077 /nfs/dbraw/zinc/18/60/77/652186077.db2.gz VMXDPPDLWWJMGA-ZDUSSCGKSA-N 1 0 386.265 2.292 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1SC ZINC000657651488 652186100 /nfs/dbraw/zinc/18/61/00/652186100.db2.gz DXIAUURJUNRFHD-CYBMUJFWSA-N 1 0 385.917 2.227 20 0 GEADRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)O1 ZINC000657669215 652188197 /nfs/dbraw/zinc/18/81/97/652188197.db2.gz LPDJBCHOMSUJRA-CMPLNLGQSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)O1 ZINC000657669217 652188781 /nfs/dbraw/zinc/18/87/81/652188781.db2.gz LPDJBCHOMSUJRA-PWSUYJOCSA-N 1 0 377.304 2.144 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000657706935 652193929 /nfs/dbraw/zinc/19/39/29/652193929.db2.gz FWJPJNJWVLCXQZ-UVBJJODRSA-N 1 0 397.313 2.356 20 0 GEADRO O=c1ccn(CN2CCN(C3CC3)C(=O)C2)c2c(Br)cccc12 ZINC000748263724 652197428 /nfs/dbraw/zinc/19/74/28/652197428.db2.gz LXEILPZAWNSUIL-UHFFFAOYSA-N 1 0 376.254 2.028 20 0 GEADRO CCN(CC)S(=O)(=O)CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000622662744 652198071 /nfs/dbraw/zinc/19/80/71/652198071.db2.gz QLYGVDKXGNXLRR-UHFFFAOYSA-N 1 0 375.579 2.017 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)sc1C(F)(F)F ZINC000577580476 652198093 /nfs/dbraw/zinc/19/80/93/652198093.db2.gz JYKYOUJLRYZOHE-JTQLQIEISA-N 1 0 378.420 2.350 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000577588790 652198757 /nfs/dbraw/zinc/19/87/57/652198757.db2.gz XJSBKZCNCIMLJK-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000748435916 652202887 /nfs/dbraw/zinc/20/28/87/652202887.db2.gz VVILWTFWABIWGK-GUYCJALGSA-N 1 0 391.603 2.186 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000657778819 652204592 /nfs/dbraw/zinc/20/45/92/652204592.db2.gz VTAIRBQGGIGCML-SMDDNHRTSA-N 1 0 398.276 2.388 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(Br)c3F)[C@H]2C1 ZINC000657777913 652204810 /nfs/dbraw/zinc/20/48/10/652204810.db2.gz FIEWEHNGAWQWEI-MFKMUULPSA-N 1 0 384.249 2.079 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657816209 652208631 /nfs/dbraw/zinc/20/86/31/652208631.db2.gz JVVKAEFWGQUNAZ-UHFFFAOYSA-N 1 0 378.217 2.076 20 0 GEADRO O=S(=O)(Cc1ccccc1C[NH2+][C@@H]1CCCSCC1)N1CCOCC1 ZINC000657835958 652209873 /nfs/dbraw/zinc/20/98/73/652209873.db2.gz PGQOGPORZWALMH-GOSISDBHSA-N 1 0 384.567 2.224 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657859976 652211290 /nfs/dbraw/zinc/21/12/90/652211290.db2.gz ZTFIXIGLWCAKTQ-SMDDNHRTSA-N 1 0 398.276 2.469 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(Br)c[nH]c2=O)C[C@H](C)O1 ZINC000623020172 652215726 /nfs/dbraw/zinc/21/57/26/652215726.db2.gz AYVQVFAJDWLXSZ-TXEJJXNPSA-N 1 0 386.290 2.169 20 0 GEADRO CSC1(CNC(=O)C(=O)N2CCc3c2cccc3Cl)CC[NH+](C)CC1 ZINC000577788899 652216137 /nfs/dbraw/zinc/21/61/37/652216137.db2.gz XFUYNDQHAMGEIA-UHFFFAOYSA-N 1 0 381.929 2.173 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000748844546 652220394 /nfs/dbraw/zinc/22/03/94/652220394.db2.gz SBABROXOTQFWIL-CYBMUJFWSA-N 1 0 392.301 2.490 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc(Br)c3F)C2)C1 ZINC000657966614 652222787 /nfs/dbraw/zinc/22/27/87/652222787.db2.gz NFACUGBZLWGINU-INIZCTEOSA-N 1 0 384.249 2.081 20 0 GEADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000577889394 652227295 /nfs/dbraw/zinc/22/72/95/652227295.db2.gz NZZGTWZWJLKBEG-OAHLLOKOSA-N 1 0 393.285 2.254 20 0 GEADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577950986 652231403 /nfs/dbraw/zinc/23/14/03/652231403.db2.gz PKDVSIGHHWJAJN-RYUDHWBXSA-N 1 0 377.897 2.352 20 0 GEADRO COc1cc(CNC(=S)NCCC[NH+](C)C)cc(Br)c1OC ZINC000749109014 652235753 /nfs/dbraw/zinc/23/57/53/652235753.db2.gz FVQCQOWDEOPSJL-UHFFFAOYSA-N 1 0 390.347 2.382 20 0 GEADRO COc1cc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)ccn1 ZINC000658091804 652235955 /nfs/dbraw/zinc/23/59/55/652235955.db2.gz IFSGPOXBFWGFOQ-NSHDSACASA-N 1 0 379.258 2.328 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000658120478 652237091 /nfs/dbraw/zinc/23/70/91/652237091.db2.gz ISWYOJRRWMTUEQ-LLVKDONJSA-N 1 0 383.290 2.019 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000658120814 652237759 /nfs/dbraw/zinc/23/77/59/652237759.db2.gz JNLUOROJWPWZRU-GFCCVEGCSA-N 1 0 397.317 2.328 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658126441 652238307 /nfs/dbraw/zinc/23/83/07/652238307.db2.gz PRRYCXRFYGGTQB-ZDUSSCGKSA-N 1 0 398.301 2.385 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000658122992 652238385 /nfs/dbraw/zinc/23/83/85/652238385.db2.gz YQYYBUOAPDYUTJ-VIFPVBQESA-N 1 0 378.420 2.337 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658148696 652239203 /nfs/dbraw/zinc/23/92/03/652239203.db2.gz OLCVBAZJDTXPNO-LRDDRELGSA-N 1 0 376.266 2.277 20 0 GEADRO C[N@@H+]1CC[C@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1(C)C ZINC000623514259 652243904 /nfs/dbraw/zinc/24/39/04/652243904.db2.gz GCJFENRMCXGCCJ-ZDUSSCGKSA-N 1 0 377.913 2.220 20 0 GEADRO COC[C@@]1(CNC(=O)NCCOc2cccc(Cl)c2Cl)CCC[NH2+]1 ZINC000578121778 652245356 /nfs/dbraw/zinc/24/53/56/652245356.db2.gz NXNJZEAFYQGTLV-INIZCTEOSA-N 1 0 376.284 2.440 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000623565344 652246621 /nfs/dbraw/zinc/24/66/21/652246621.db2.gz KFASBUDDDRNJDB-UONOGXRCSA-N 1 0 383.290 2.279 20 0 GEADRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658249929 652247400 /nfs/dbraw/zinc/24/74/00/652247400.db2.gz GQVMVRPHNJNJPQ-CMPLNLGQSA-N 1 0 391.331 2.156 20 0 GEADRO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000658286382 652249578 /nfs/dbraw/zinc/24/95/78/652249578.db2.gz RVDPNCPDSCRCLW-AAEUAGOBSA-N 1 0 390.347 2.231 20 0 GEADRO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000658286383 652250466 /nfs/dbraw/zinc/25/04/66/652250466.db2.gz RVDPNCPDSCRCLW-DGCLKSJQSA-N 1 0 390.347 2.231 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000658296583 652250611 /nfs/dbraw/zinc/25/06/11/652250611.db2.gz IACUSXASNYNJNZ-QWHCGFSZSA-N 1 0 384.318 2.236 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000658312357 652251214 /nfs/dbraw/zinc/25/12/14/652251214.db2.gz IURZYGFDUYNLAC-CXAGYDPISA-N 1 0 387.318 2.157 20 0 GEADRO Fc1ccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c(Br)c1 ZINC000623652460 652251925 /nfs/dbraw/zinc/25/19/25/652251925.db2.gz GTJPAJPSAWJOAQ-CYBMUJFWSA-N 1 0 391.248 2.394 20 0 GEADRO Fc1cc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)ccc1Br ZINC000623652501 652252025 /nfs/dbraw/zinc/25/20/25/652252025.db2.gz HWCNDTYWCQYRHQ-GFCCVEGCSA-N 1 0 391.248 2.394 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)cc(Br)c1OC ZINC000623668881 652252513 /nfs/dbraw/zinc/25/25/13/652252513.db2.gz CDOSWZNWXBXZDX-LBPRGKRZSA-N 1 0 386.290 2.360 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000623710029 652255177 /nfs/dbraw/zinc/25/51/77/652255177.db2.gz RDSWAAJVJHFVJH-LLVKDONJSA-N 1 0 383.290 2.136 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1COCCN1C ZINC000623710981 652255287 /nfs/dbraw/zinc/25/52/87/652255287.db2.gz RBGQAMNURNIXFL-INIZCTEOSA-N 1 0 387.318 2.285 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244750 652255851 /nfs/dbraw/zinc/25/58/51/652255851.db2.gz IFILUNCKNJXPCN-STQMWFEESA-N 1 0 381.464 2.280 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000623749542 652257696 /nfs/dbraw/zinc/25/76/96/652257696.db2.gz JGIGPKDBKMWESG-QMTHXVAHSA-N 1 0 383.290 2.135 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000749535767 652258140 /nfs/dbraw/zinc/25/81/40/652258140.db2.gz UPSYKRIEPNTCDS-BPQIPLTHSA-N 1 0 386.945 2.297 20 0 GEADRO O[C@@H]1CCN(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000623758533 652258557 /nfs/dbraw/zinc/25/85/57/652258557.db2.gz FQRVYKGPKONSNM-QGZVFWFLSA-N 1 0 382.346 2.070 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000623757964 652258698 /nfs/dbraw/zinc/25/86/98/652258698.db2.gz KCMPNSJEZUETHI-QGZVFWFLSA-N 1 0 393.329 2.408 20 0 GEADRO CC(C)[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)CC[NH2+]1 ZINC000658371514 652258796 /nfs/dbraw/zinc/25/87/96/652258796.db2.gz NVYSILQGNSCJRQ-CQSZACIVSA-N 1 0 379.295 2.348 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]21 ZINC000658376890 652259943 /nfs/dbraw/zinc/25/99/43/652259943.db2.gz WOAYDPNCCMYBOW-VHDGCEQUSA-N 1 0 378.416 2.474 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)Cc3cc(F)ccc3Br)C[C@@H]21 ZINC000658376595 652260095 /nfs/dbraw/zinc/26/00/95/652260095.db2.gz UYBVUNTVPGANJB-VZJVUDMVSA-N 1 0 391.306 2.477 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000623823727 652263374 /nfs/dbraw/zinc/26/33/74/652263374.db2.gz HWOGLSRYYJXGTQ-SLEUVZQESA-N 1 0 385.302 2.477 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658390254 652263869 /nfs/dbraw/zinc/26/38/69/652263869.db2.gz IWDQCWIGUJQBRB-UHFFFAOYSA-N 1 0 381.267 2.147 20 0 GEADRO CCc1ncc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000658391589 652264625 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C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCNC(=O)c1cnccn1 ZINC000579156894 652320716 /nfs/dbraw/zinc/32/07/16/652320716.db2.gz JARDVMSOYHIXJW-NSHDSACASA-N 1 0 381.249 2.329 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)Nc4ccc(Br)cc43)C[C@@H]21 ZINC000579200577 652324085 /nfs/dbraw/zinc/32/40/85/652324085.db2.gz UOWSVIBFHXWFOD-DGFSRKRXSA-N 1 0 378.270 2.037 20 0 GEADRO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625160318 652327207 /nfs/dbraw/zinc/32/72/07/652327207.db2.gz JTAXNUUJYSSVRQ-IUODEOHRSA-N 1 0 380.286 2.160 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000579333702 652331882 /nfs/dbraw/zinc/33/18/82/652331882.db2.gz WHDMZDSHKOGWJP-WBMJQRKESA-N 1 0 395.345 2.275 20 0 GEADRO C[C@@H](C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)S(C)(=O)=O ZINC000579344187 652332585 /nfs/dbraw/zinc/33/25/85/652332585.db2.gz VRBPPHCPSHFLQP-GXSJLCMTSA-N 1 0 385.839 2.355 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)CC(C)(C)C(F)(F)CC)CC1 ZINC000625247032 652333728 /nfs/dbraw/zinc/33/37/28/652333728.db2.gz PQPOZXJEJXZHFP-UHFFFAOYSA-N 1 0 383.549 2.393 20 0 GEADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cccnc1OCC(F)F ZINC000625253901 652334953 /nfs/dbraw/zinc/33/49/53/652334953.db2.gz MWQSQLSNVHJXSE-UHFFFAOYSA-N 1 0 377.457 2.220 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000658972196 652335049 /nfs/dbraw/zinc/33/50/49/652335049.db2.gz MRDHFGKYLMBZDU-KCXAZCMYSA-N 1 0 394.313 2.249 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659006753 652337445 /nfs/dbraw/zinc/33/74/45/652337445.db2.gz GFOOCFVTPRLARI-UHFFFAOYSA-N 1 0 384.274 2.348 20 0 GEADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccnc1OCC(F)F ZINC000625270077 652337465 /nfs/dbraw/zinc/33/74/65/652337465.db2.gz LFPYMZLMJOQJQA-OLZOCXBDSA-N 1 0 375.441 2.021 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCOc2cc(Br)ccc2C1)C(F)(F)F ZINC000659026199 652337816 /nfs/dbraw/zinc/33/78/16/652337816.db2.gz ZHPJZLPXOCMATB-NSHDSACASA-N 1 0 382.180 2.243 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000579452202 652338477 /nfs/dbraw/zinc/33/84/77/652338477.db2.gz CSVNDSUALBZMFL-LBPRGKRZSA-N 1 0 398.301 2.409 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1F)[C@H]1CCC[NH2+]C1 ZINC000659074548 652340189 /nfs/dbraw/zinc/34/01/89/652340189.db2.gz MEAGDLOFVXZLES-BDAKNGLRSA-N 1 0 390.228 2.170 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659078939 652340405 /nfs/dbraw/zinc/34/04/05/652340405.db2.gz WHSDNFNIIPMQDV-DTWKUNHWSA-N 1 0 390.228 2.252 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c(Cl)cc1Br ZINC000659076841 652340476 /nfs/dbraw/zinc/34/04/76/652340476.db2.gz GQVQVAFZNDAODO-JTQLQIEISA-N 1 0 392.681 2.149 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000659076552 652340584 /nfs/dbraw/zinc/34/05/84/652340584.db2.gz BEPGYWFNAMITSH-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO [NH3+]C1(c2noc(-c3cc(Cn4cc(Br)cn4)on3)n2)CCCC1 ZINC000579472726 652340813 /nfs/dbraw/zinc/34/08/13/652340813.db2.gz LRETWSIGBADVRG-UHFFFAOYSA-N 1 0 379.218 2.460 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659081803 652340972 /nfs/dbraw/zinc/34/09/72/652340972.db2.gz QYLNCLHYGLMCHQ-RYUDHWBXSA-N 1 0 394.313 2.269 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000659083159 652341512 /nfs/dbraw/zinc/34/15/12/652341512.db2.gz VTKHVUZJBPMVLK-ISVAXAHUSA-N 1 0 388.693 2.464 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659084156 652341626 /nfs/dbraw/zinc/34/16/26/652341626.db2.gz AKMXTSDYFKMEND-MRVPVSSYSA-N 1 0 378.217 2.300 20 0 GEADRO O=C1C[C@@H]([NH2+]C2CCCC2)C(=O)N1c1ccc(I)cc1 ZINC000579488741 652341713 /nfs/dbraw/zinc/34/17/13/652341713.db2.gz AACLZWIPBTVWCG-CYBMUJFWSA-N 1 0 384.217 2.455 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC[C@H]1[NH3+] ZINC000659086648 652341981 /nfs/dbraw/zinc/34/19/81/652341981.db2.gz ZQXMAFUYHDFEBS-WCBMZHEXSA-N 1 0 390.228 2.252 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659085477 652342039 /nfs/dbraw/zinc/34/20/39/652342039.db2.gz YDXADRSLOASRPG-GWCFXTLKSA-N 1 0 380.286 2.021 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c2cc(Br)ccc21 ZINC000659087319 652342416 /nfs/dbraw/zinc/34/24/16/652342416.db2.gz QNPSBTBSDYJBEV-YPMHNXCESA-N 1 0 394.313 2.317 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659106059 652344030 /nfs/dbraw/zinc/34/40/30/652344030.db2.gz FQDBBAUFCYBCTJ-UHFFFAOYSA-N 1 0 396.285 2.043 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000659114881 652344959 /nfs/dbraw/zinc/34/49/59/652344959.db2.gz QZTXGTWLXVMAAP-ZETCQYMHSA-N 1 0 382.180 2.131 20 0 GEADRO CCNc1ccc(Cl)cc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000579590055 652345653 /nfs/dbraw/zinc/34/56/53/652345653.db2.gz DVKXDSYCZFVUTM-AWEZNQCLSA-N 1 0 378.826 2.338 20 0 GEADRO CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000579594299 652345885 /nfs/dbraw/zinc/34/58/85/652345885.db2.gz INSBHRRBOWFJSQ-SGIREYDYSA-N 1 0 382.302 2.342 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cn(-c2ccc(Br)cc2)cn1 ZINC000579590931 652345902 /nfs/dbraw/zinc/34/59/02/652345902.db2.gz NWHFBHRTADNJLH-ZDUSSCGKSA-N 1 0 385.212 2.362 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000579593953 652345967 /nfs/dbraw/zinc/34/59/67/652345967.db2.gz NBQDUMBRFNLOEV-CYBMUJFWSA-N 1 0 386.196 2.018 20 0 GEADRO CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000579594296 652346092 /nfs/dbraw/zinc/34/60/92/652346092.db2.gz INSBHRRBOWFJSQ-HZUKXOBISA-N 1 0 382.302 2.342 20 0 GEADRO CC[NH+]1C[C@H](C)N(C(=O)CNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000579613242 652347588 /nfs/dbraw/zinc/34/75/88/652347588.db2.gz ZRKMTJLNWVBOPU-STQMWFEESA-N 1 0 382.302 2.120 20 0 GEADRO CN(C)C(=O)[C@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625470063 652348044 /nfs/dbraw/zinc/34/80/44/652348044.db2.gz HHLHHAISUMJHRW-WFASDCNBSA-N 1 0 380.286 2.113 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000659293319 652352982 /nfs/dbraw/zinc/35/29/82/652352982.db2.gz VIHZBBMPXLANGM-AWEZNQCLSA-N 1 0 381.274 2.385 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)C[C@H]21 ZINC000659304551 652353666 /nfs/dbraw/zinc/35/36/66/652353666.db2.gz UTKNWNWBAAYSJR-ZLKJLUDKSA-N 1 0 381.270 2.420 20 0 GEADRO O=C(Cn1cc(Br)cn1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659354343 652354573 /nfs/dbraw/zinc/35/45/73/652354573.db2.gz JWIALANEHLZGIP-GJZGRUSLSA-N 1 0 381.249 2.047 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659359998 652354868 /nfs/dbraw/zinc/35/48/68/652354868.db2.gz YEEUVRYUEABOHH-JKSUJKDBSA-N 1 0 383.286 2.118 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000659369316 652355328 /nfs/dbraw/zinc/35/53/28/652355328.db2.gz PGLROLPPDBUZOA-HUUCEWRRSA-N 1 0 385.327 2.444 20 0 GEADRO O=C(CCn1cc(Br)cn1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659367989 652355338 /nfs/dbraw/zinc/35/53/38/652355338.db2.gz HNHRBNNUIULDIC-HNNXBMFYSA-N 1 0 379.258 2.335 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1F)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000659381582 652356099 /nfs/dbraw/zinc/35/60/99/652356099.db2.gz JOQFXYHINBFHSG-QMMMGPOBSA-N 1 0 386.200 2.496 20 0 GEADRO CCn1c(CNC(=O)NCC23CC(C2)C[NH2+]3)nc2cc(Br)ccc21 ZINC000659485101 652359185 /nfs/dbraw/zinc/35/91/85/652359185.db2.gz JOVYUKXUXYOOGL-UHFFFAOYSA-N 1 0 392.301 2.370 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659537614 652360266 /nfs/dbraw/zinc/36/02/66/652360266.db2.gz MEMSYNJCKYGWQI-CZUORRHYSA-N 1 0 381.318 2.279 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000659538678 652360283 /nfs/dbraw/zinc/36/02/83/652360283.db2.gz AXGYNRHDOAKYFZ-HIFRSBDPSA-N 1 0 381.318 2.421 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CCO1 ZINC000659598583 652360837 /nfs/dbraw/zinc/36/08/37/652360837.db2.gz FKYSWZOFAJJQSB-OAHLLOKOSA-N 1 0 382.302 2.141 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCN(c2cccc(Br)c2)CC1 ZINC000659614702 652361369 /nfs/dbraw/zinc/36/13/69/652361369.db2.gz PVFOUYUYBXKQME-UHFFFAOYSA-N 1 0 379.302 2.033 20 0 GEADRO C[N@@H+]1CCN(CC(=O)Nc2ccc(I)cc2)CC1(C)C ZINC000579968609 652361919 /nfs/dbraw/zinc/36/19/19/652361919.db2.gz IXLCPFXSHPKUIJ-UHFFFAOYSA-N 1 0 387.265 2.256 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000659634028 652362097 /nfs/dbraw/zinc/36/20/97/652362097.db2.gz HMYRMINEVJLJSD-GFCCVEGCSA-N 1 0 387.297 2.023 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000659646148 652362258 /nfs/dbraw/zinc/36/22/58/652362258.db2.gz MMKKUZSJHKWTTJ-GFCCVEGCSA-N 1 0 397.317 2.417 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000659686168 652363511 /nfs/dbraw/zinc/36/35/11/652363511.db2.gz CMRRQVCDYBPKAW-UHFFFAOYSA-N 1 0 376.284 2.074 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000659696388 652363679 /nfs/dbraw/zinc/36/36/79/652363679.db2.gz NHCRCWACTFUNJT-ZIAGYGMSSA-N 1 0 390.286 2.285 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000659713737 652364175 /nfs/dbraw/zinc/36/41/75/652364175.db2.gz PROYPBYQSUREQU-INIZCTEOSA-N 1 0 377.897 2.211 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659740733 652364368 /nfs/dbraw/zinc/36/43/68/652364368.db2.gz GHKOLACUCIXZRC-OAHLLOKOSA-N 1 0 384.318 2.206 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N[C@H](C)C[NH2+]C)Oc1ccc(Cl)c(Cl)c1 ZINC000659757350 652364819 /nfs/dbraw/zinc/36/48/19/652364819.db2.gz UTJJKMSLUXIGFL-NEPJUHHUSA-N 1 0 390.311 2.333 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000659746437 652364861 /nfs/dbraw/zinc/36/48/61/652364861.db2.gz KPSOTCKOZKYFTO-HZPDHXFCSA-N 1 0 383.945 2.446 20 0 GEADRO CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000580047739 652364850 /nfs/dbraw/zinc/36/48/50/652364850.db2.gz RDQJRCHDTYBDMA-TZMCWYRMSA-N 1 0 385.295 2.492 20 0 GEADRO CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000580047737 652364897 /nfs/dbraw/zinc/36/48/97/652364897.db2.gz RDQJRCHDTYBDMA-JSGCOSHPSA-N 1 0 385.295 2.492 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(NS(=O)(=O)c3cccs3)CC2)C1 ZINC000659817744 652366205 /nfs/dbraw/zinc/36/62/05/652366205.db2.gz GWOXDENQFJARCN-HZPDHXFCSA-N 1 0 385.599 2.469 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000751806592 652367684 /nfs/dbraw/zinc/36/76/84/652367684.db2.gz ZNBKRKUTUNXMRT-JTQLQIEISA-N 1 0 378.853 2.158 20 0 GEADRO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)ccc1Br ZINC000580162265 652368265 /nfs/dbraw/zinc/36/82/65/652368265.db2.gz GVKHYMDKVREIHU-HNNXBMFYSA-N 1 0 394.313 2.184 20 0 GEADRO CO[C@@H](C[N@H+](CCO)Cc1cc(Br)ccc1F)[C@H]1CCOC1 ZINC000659878402 652368808 /nfs/dbraw/zinc/36/88/08/652368808.db2.gz ZUDRPNUKJTUIFO-LRDDRELGSA-N 1 0 376.266 2.434 20 0 GEADRO CC(C)[C@@H](C)NC(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794748 652371148 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CCOc1cc(Br)c(F)cc1NC(=O)N(C)CCOCC[NH3+] ZINC000625889929 652375193 /nfs/dbraw/zinc/37/51/93/652375193.db2.gz NURBPKSZVMVNIX-UHFFFAOYSA-N 1 0 378.242 2.426 20 0 GEADRO C[NH2+]CCOCCNC(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000625901278 652375536 /nfs/dbraw/zinc/37/55/36/652375536.db2.gz XWKUWRMBEDLXHC-UHFFFAOYSA-N 1 0 380.670 2.469 20 0 GEADRO CC(C)O[C@@]1(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)CCOC1 ZINC000659976561 652375622 /nfs/dbraw/zinc/37/56/22/652375622.db2.gz CJENQIMZFOHTPL-KRWDZBQOSA-N 1 0 390.571 2.026 20 0 GEADRO NC(=O)[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc(Br)c1 ZINC000625991571 652378496 /nfs/dbraw/zinc/37/84/96/652378496.db2.gz ZPIBKBXKEIFKAU-BMFZPTHFSA-N 1 0 392.253 2.196 20 0 GEADRO CN(Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037996 652380320 /nfs/dbraw/zinc/38/03/20/652380320.db2.gz NEHMUJROTABPTH-BJHJDKERSA-N 1 0 379.258 2.119 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000626039811 652380432 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[NH3+]C1(CNC(=O)c2sccc2S(=O)(=O)NCc2cccs2)CCCC1 ZINC000662862767 652476602 /nfs/dbraw/zinc/47/66/02/652476602.db2.gz FLJYXGAUFWBMGE-UHFFFAOYSA-N 1 0 399.563 2.289 20 0 GEADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662859115 652476649 /nfs/dbraw/zinc/47/66/49/652476649.db2.gz HQVUUJLIJYTWQO-VMGRFDJRSA-N 1 0 383.286 2.116 20 0 GEADRO Cn1cnnc1COCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628969525 652476812 /nfs/dbraw/zinc/47/68/12/652476812.db2.gz UIFWPVJRERLZOE-CQSZACIVSA-N 1 0 386.283 2.058 20 0 GEADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662864963 652477027 /nfs/dbraw/zinc/47/70/27/652477027.db2.gz WMQRDQSNBUCXBP-GFCCVEGCSA-N 1 0 378.270 2.194 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000662877500 652477340 /nfs/dbraw/zinc/47/73/40/652477340.db2.gz VLRGOTMOESRSBM-UHFFFAOYSA-N 1 0 379.298 2.447 20 0 GEADRO C[C@]([NH3+])(C(=O)Nc1ccnc(OCCO)c1)c1ccc(Br)cc1 ZINC000662934360 652479050 /nfs/dbraw/zinc/47/90/50/652479050.db2.gz MASFLYNNMPSQLK-MRXNPFEDSA-N 1 0 380.242 2.028 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C[C@@]1(C)C[NH3+] ZINC000662969441 652479713 /nfs/dbraw/zinc/47/97/13/652479713.db2.gz NWMQIVGFDOLUJP-ADLMAVQZSA-N 1 0 384.307 2.321 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C1 ZINC000662969658 652479989 /nfs/dbraw/zinc/47/99/89/652479989.db2.gz WAPXMNUJODWPEF-AAEUAGOBSA-N 1 0 384.307 2.464 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)C2 ZINC000662992347 652480606 /nfs/dbraw/zinc/48/06/06/652480606.db2.gz GCUUODRFYDBGTG-OLZOCXBDSA-N 1 0 394.313 2.186 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)C2 ZINC000662992746 652480649 /nfs/dbraw/zinc/48/06/49/652480649.db2.gz IYGSNVBEUXBCFD-CYBMUJFWSA-N 1 0 394.313 2.187 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N2Cc3ccc(C)c(Br)c3C2)CC[C@H]1[NH3+] ZINC000662993640 652480869 /nfs/dbraw/zinc/48/08/69/652480869.db2.gz PNLQEPDJMGEOIF-SWLSCSKDSA-N 1 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C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000756214616 652493863 /nfs/dbraw/zinc/49/38/63/652493863.db2.gz WDIMQKWGDHDTOR-UHFFFAOYSA-N 1 0 388.902 2.395 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(CCS(=O)(=O)c1ccc(Br)cc1)C2 ZINC000629584856 652494256 /nfs/dbraw/zinc/49/42/56/652494256.db2.gz VXXDEEIOQVDRQJ-IYBDPMFKSA-N 1 0 387.343 2.154 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)C1 ZINC000583702716 652494818 /nfs/dbraw/zinc/49/48/18/652494818.db2.gz CGULUWPXCNBQQV-INIZCTEOSA-N 1 0 394.313 2.181 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNc2nnc3ccc(Br)cn32)CC1 ZINC000663395530 652497013 /nfs/dbraw/zinc/49/70/13/652497013.db2.gz OIGWYEZFSYUNKZ-CYBMUJFWSA-N 1 0 381.322 2.177 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000663412042 652497324 /nfs/dbraw/zinc/49/73/24/652497324.db2.gz MJQRZOZFXVCTHI-UHFFFAOYSA-N 1 0 389.327 2.197 20 0 GEADRO CO[C@@H]1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)[C@H](C[NH3+])C1 ZINC000583866606 652500519 /nfs/dbraw/zinc/50/05/19/652500519.db2.gz ZDKLNBZADZQSAU-YWPYICTPSA-N 1 0 387.933 2.121 20 0 GEADRO C[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1ccc(Br)cc1 ZINC000663444727 652501040 /nfs/dbraw/zinc/50/10/40/652501040.db2.gz XDDCBACSVHQXLA-CYBMUJFWSA-N 1 0 399.333 2.172 20 0 GEADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)CC1(O)CCOCC1 ZINC000630040410 652501290 /nfs/dbraw/zinc/50/12/90/652501290.db2.gz HTAKJPAVUDHTOK-ZDUSSCGKSA-N 1 0 376.266 2.313 20 0 GEADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000583928814 652503201 /nfs/dbraw/zinc/50/32/01/652503201.db2.gz QHWLCTUGXAZKCS-UHFFFAOYSA-N 1 0 388.212 2.020 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000583982563 652504707 /nfs/dbraw/zinc/50/47/07/652504707.db2.gz GPTIYHBNOLOCAI-DOMZBBRYSA-N 1 0 386.279 2.287 20 0 GEADRO CN(C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000583983959 652504899 /nfs/dbraw/zinc/50/48/99/652504899.db2.gz GYRQMVRRTJZAFT-ULQDDVLXSA-N 1 0 396.329 2.134 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC[C@H]1[NH3+] ZINC000663603900 652505793 /nfs/dbraw/zinc/50/57/93/652505793.db2.gz KHEHMSFSIVGOKI-LDYMZIIASA-N 1 0 379.766 2.373 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000584009992 652506011 /nfs/dbraw/zinc/50/60/11/652506011.db2.gz WDVNQNBTVXDVBA-YDHLFZDLSA-N 1 0 387.318 2.017 20 0 GEADRO Cc1c(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000756902681 652508450 /nfs/dbraw/zinc/50/84/50/652508450.db2.gz VWCIFXITJQLFQT-KBPBESRZSA-N 1 0 382.555 2.424 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000584103194 652509180 /nfs/dbraw/zinc/50/91/80/652509180.db2.gz IUAOLCHXCMRFHH-ZBFHGGJFSA-N 1 0 382.302 2.012 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000584133826 652510560 /nfs/dbraw/zinc/51/05/60/652510560.db2.gz MWWWLYDITGVFES-UHFFFAOYSA-N 1 0 388.281 2.053 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000663739338 652510656 /nfs/dbraw/zinc/51/06/56/652510656.db2.gz KJKNTVZZHFZFTQ-AWEZNQCLSA-N 1 0 394.317 2.035 20 0 GEADRO Cc1nc(C)c(Br)c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000663755435 652511138 /nfs/dbraw/zinc/51/11/38/652511138.db2.gz IUCBRTLYSJBPHV-WFASDCNBSA-N 1 0 382.350 2.318 20 0 GEADRO CCN(C(=O)NCC(=O)Nc1cc(Br)ccc1C)[C@@H]1CC[N@H+](C)C1 ZINC000663885093 652514951 /nfs/dbraw/zinc/51/49/51/652514951.db2.gz BFJGDDIXQSCNIM-CQSZACIVSA-N 1 0 397.317 2.432 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)cc1F ZINC000584330124 652516695 /nfs/dbraw/zinc/51/66/95/652516695.db2.gz SBDFBAQSGZUQHG-MAZHCROVSA-N 1 0 388.892 2.305 20 0 GEADRO CN1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)[C@H](C[NH3+])C1 ZINC000584338673 652517030 /nfs/dbraw/zinc/51/70/30/652517030.db2.gz JVOFBYRVOLXYLC-CQSZACIVSA-N 1 0 379.917 2.494 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2c(C)c(Br)c[nH]c2=O)CC1 ZINC000630897093 652517575 /nfs/dbraw/zinc/51/75/75/652517575.db2.gz IENKKUYKVIQQQA-UHFFFAOYSA-N 1 0 386.290 2.089 20 0 GEADRO Cc1c(Br)csc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000630895723 652517634 /nfs/dbraw/zinc/51/76/34/652517634.db2.gz DMKSNDNETUXRHZ-NSHDSACASA-N 1 0 388.331 2.136 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCC1 ZINC000584346589 652517814 /nfs/dbraw/zinc/51/78/14/652517814.db2.gz QVXVBRFMEKHLSY-LBPRGKRZSA-N 1 0 382.309 2.290 20 0 GEADRO CN(C)[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000631030496 652518400 /nfs/dbraw/zinc/51/84/00/652518400.db2.gz RALJVBHIYRDLJF-MRXNPFEDSA-N 1 0 381.929 2.250 20 0 GEADRO COc1cccc(CC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1OC ZINC000631044684 652518771 /nfs/dbraw/zinc/51/87/71/652518771.db2.gz VRVLMXQJSRTSPY-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000664082928 652520190 /nfs/dbraw/zinc/52/01/90/652520190.db2.gz MPAUCTNLAWDBQG-LBPRGKRZSA-N 1 0 387.311 2.012 20 0 GEADRO COc1cc(Cl)c(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1OC ZINC000631107867 652520329 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COC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000758525073 652545429 /nfs/dbraw/zinc/54/54/29/652545429.db2.gz AFDUDMVXDCWTJQ-AWEZNQCLSA-N 1 0 385.302 2.421 20 0 GEADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000758538338 652545817 /nfs/dbraw/zinc/54/58/17/652545817.db2.gz RZQQVXUDOUTXEZ-UHFFFAOYSA-N 1 0 376.935 2.402 20 0 GEADRO CN(CC[NH+](C)C)S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000632061049 652547776 /nfs/dbraw/zinc/54/77/76/652547776.db2.gz DVPJKKYMMSWMSQ-UHFFFAOYSA-N 1 0 378.317 2.241 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632085390 652550125 /nfs/dbraw/zinc/55/01/25/652550125.db2.gz NSYHRZNTKJGIDP-IJLUTSLNSA-N 1 0 382.452 2.084 20 0 GEADRO Cn1c(SCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nnc1-c1cccs1 ZINC000588639356 652553557 /nfs/dbraw/zinc/55/35/57/652553557.db2.gz UDQUZCWEWTXAER-CHWSQXEVSA-N 1 0 377.539 2.379 20 0 GEADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CSc1nnnn1Cc1cccs1 ZINC000588690297 652555153 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GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000589230852 652562384 /nfs/dbraw/zinc/56/23/84/652562384.db2.gz VHKRQJVCGLYJQB-VXGBXAGGSA-N 1 0 396.285 2.139 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)Cc1ncsc1Br ZINC000632429637 652563415 /nfs/dbraw/zinc/56/34/15/652563415.db2.gz OXSGQIUHIKJCPY-UHFFFAOYSA-N 1 0 382.349 2.199 20 0 GEADRO COc1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000589296196 652565051 /nfs/dbraw/zinc/56/50/51/652565051.db2.gz LZKBZTBCXIKRPG-UHFFFAOYSA-N 1 0 378.947 2.454 20 0 GEADRO COCCC(C)(C)C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000759185514 652566130 /nfs/dbraw/zinc/56/61/30/652566130.db2.gz MVDUUMGCDBUHPJ-CYBMUJFWSA-N 1 0 377.938 2.357 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000666086525 652566447 /nfs/dbraw/zinc/56/64/47/652566447.db2.gz YKECHHMTYHLHDA-CMPLNLGQSA-N 1 0 382.224 2.226 20 0 GEADRO C[NH+](C)CC1(CNC(=O)c2nccn3c(Br)cnc23)CCCC1 ZINC000759306973 652568601 /nfs/dbraw/zinc/56/86/01/652568601.db2.gz NKOABXKVDVYXRV-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO CSC1(CNC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC000589628490 652570025 /nfs/dbraw/zinc/57/00/25/652570025.db2.gz XVQXGZRILYRCQP-CYBMUJFWSA-N 1 0 383.480 2.159 20 0 GEADRO Cn1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc(Br)c1=O ZINC000666331652 652572313 /nfs/dbraw/zinc/57/23/13/652572313.db2.gz TZLZJRFAVFTFPF-NSHDSACASA-N 1 0 385.306 2.390 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1sccc1S(N)(=O)=O)c1ccsc1 ZINC000666346387 652572720 /nfs/dbraw/zinc/57/27/20/652572720.db2.gz BFDJPYHJSJWERX-GFCCVEGCSA-N 1 0 387.552 2.270 20 0 GEADRO Cc1csc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1I ZINC000590044766 652573432 /nfs/dbraw/zinc/57/34/32/652573432.db2.gz NGZBAGOPSOJWQM-NXEZZACHSA-N 1 0 376.263 2.437 20 0 GEADRO C[N@H+](C[C@H](O)c1cccc(C(F)(F)F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000759430020 652573981 /nfs/dbraw/zinc/57/39/81/652573981.db2.gz BAAPNFUXVIXLOM-HNNXBMFYSA-N 1 0 380.432 2.095 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000633046420 652583649 /nfs/dbraw/zinc/58/36/49/652583649.db2.gz USSPNGFASRIQEE-NSHDSACASA-N 1 0 386.265 2.421 20 0 GEADRO [NH3+]CC1(NC(=O)C(=O)Nc2ccc(F)c(Br)c2F)CCCCC1 ZINC000633047937 652583684 /nfs/dbraw/zinc/58/36/84/652583684.db2.gz AIPDCCPGKZYSJD-UHFFFAOYSA-N 1 0 390.228 2.444 20 0 GEADRO [NH3+]CC1(NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCCCC1 ZINC000633048835 652583692 /nfs/dbraw/zinc/58/36/92/652583692.db2.gz GEAOGZPFCPOZFJ-UHFFFAOYSA-N 1 0 390.228 2.444 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000633045016 652583699 /nfs/dbraw/zinc/58/36/99/652583699.db2.gz IMOPWLNFMCZZOZ-NSHDSACASA-N 1 0 386.265 2.421 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000633046456 652583709 /nfs/dbraw/zinc/58/37/09/652583709.db2.gz VVRGZOFASVVGFE-SNVBAGLBSA-N 1 0 386.265 2.421 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000666698314 652584665 /nfs/dbraw/zinc/58/46/65/652584665.db2.gz JALJRNXEAFPUQZ-JSGCOSHPSA-N 1 0 383.290 2.286 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000666697731 652584714 /nfs/dbraw/zinc/58/47/14/652584714.db2.gz NNZHKOYVEXHCAE-NEPJUHHUSA-N 1 0 383.290 2.238 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000592090944 652584901 /nfs/dbraw/zinc/58/49/01/652584901.db2.gz IIVOIZGQLXZSLD-CYBMUJFWSA-N 1 0 399.285 2.061 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)Nc2cnc3c(Br)cccn23)cn1 ZINC000633073368 652585230 /nfs/dbraw/zinc/58/52/30/652585230.db2.gz UVBZWDMKOPPYHN-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C ZINC000592128062 652588575 /nfs/dbraw/zinc/58/85/75/652588575.db2.gz JAXALOMSTNJGRL-KCPJHIHWSA-N 1 0 381.270 2.295 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CCO1 ZINC000667003771 652589062 /nfs/dbraw/zinc/58/90/62/652589062.db2.gz RLGXHGGLSIYDGV-BLLLJJGKSA-N 1 0 384.933 2.473 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCSC[C@@H]1c1nccs1 ZINC000666976072 652589095 /nfs/dbraw/zinc/58/90/95/652589095.db2.gz ASTKNKXVBDWDAK-LSDHHAIUSA-N 1 0 382.555 2.196 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592185156 652590093 /nfs/dbraw/zinc/59/00/93/652590093.db2.gz UVAZASOLBVVXRK-MRXNPFEDSA-N 1 0 397.313 2.460 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000633285310 652591511 /nfs/dbraw/zinc/59/15/11/652591511.db2.gz OFOXRZXSHRFRHB-UHFFFAOYSA-N 1 0 399.333 2.127 20 0 GEADRO CCN(C(=O)Nc1cccc(C(=O)NC)c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000667085970 652591549 /nfs/dbraw/zinc/59/15/49/652591549.db2.gz YTYVVVBVKKQRSK-LLVKDONJSA-N 1 0 383.290 2.367 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000667133334 652593249 /nfs/dbraw/zinc/59/32/49/652593249.db2.gz WOQRFYPMTHFBGT-RDJZCZTQSA-N 1 0 384.318 2.136 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)ccc2s1 ZINC000592389806 652593323 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C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2nc(SCc3ccccc3)ns2)CCO1 ZINC000667218299 652597552 /nfs/dbraw/zinc/59/75/52/652597552.db2.gz XOJZHGNKFVRJOQ-AAEUAGOBSA-N 1 0 379.511 2.410 20 0 GEADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCOc3cccc(Br)c3)c21 ZINC000592502458 652597890 /nfs/dbraw/zinc/59/78/90/652597890.db2.gz WQMSHWCLZPRCHB-GFCCVEGCSA-N 1 0 393.285 2.291 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667227270 652597963 /nfs/dbraw/zinc/59/79/63/652597963.db2.gz RJMMBIYMGXTMIV-SSDOTTSWSA-N 1 0 378.629 2.000 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000667263192 652599468 /nfs/dbraw/zinc/59/94/68/652599468.db2.gz XKJDJSYPGWJMJY-LLVKDONJSA-N 1 0 391.269 2.194 20 0 GEADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592548873 652599590 /nfs/dbraw/zinc/59/95/90/652599590.db2.gz GALGCSXBQJYCQO-ZBFHGGJFSA-N 1 0 397.313 2.381 20 0 GEADRO Cc1nn(C)c(NC(=O)NCC2C[NH2+]C2)c1-c1ccc(Br)cc1 ZINC000667287237 652600140 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O=C(Nc1cc(F)c(Br)cc1Cl)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667506713 652609231 /nfs/dbraw/zinc/60/92/31/652609231.db2.gz ZKCPJJQIQKPPDL-MRVPVSSYSA-N 1 0 392.656 2.438 20 0 GEADRO CC1([NH3+])CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000667517372 652609948 /nfs/dbraw/zinc/60/99/48/652609948.db2.gz CKLJUVPKFYWPMA-UHFFFAOYSA-N 1 0 379.262 2.375 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000592963769 652610321 /nfs/dbraw/zinc/61/03/21/652610321.db2.gz MGVQVTNSIGFIQG-CQSZACIVSA-N 1 0 379.869 2.441 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000667521521 652610806 /nfs/dbraw/zinc/61/08/06/652610806.db2.gz WMQAELYKJZJBKU-CQSZACIVSA-N 1 0 398.301 2.161 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667538747 652611137 /nfs/dbraw/zinc/61/11/37/652611137.db2.gz LZMTVLIJNIWKJT-RNCFNFMXSA-N 1 0 386.677 2.251 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667542450 652611828 /nfs/dbraw/zinc/61/18/28/652611828.db2.gz VBKLALMVKVKKSY-TVQRCGJNSA-N 1 0 386.677 2.251 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667542118 652611865 /nfs/dbraw/zinc/61/18/65/652611865.db2.gz LEXWRNHOHYOHKI-JOYOIKCWSA-N 1 0 386.677 2.251 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667543432 652611944 /nfs/dbraw/zinc/61/19/44/652611944.db2.gz DGTFFTGLIXJBGB-WRWORJQWSA-N 1 0 392.656 2.294 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[C@H]1[NH3+] ZINC000667545285 652612180 /nfs/dbraw/zinc/61/21/80/652612180.db2.gz ORMJUSLFQKJAOI-QPUJVOFHSA-N 1 0 390.228 2.252 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2C)CC[C@@H]1[NH3+] ZINC000667547053 652612523 /nfs/dbraw/zinc/61/25/23/652612523.db2.gz ZMAMNHSXMFQOCD-GWCFXTLKSA-N 1 0 386.265 2.421 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000667549998 652612956 /nfs/dbraw/zinc/61/29/56/652612956.db2.gz DADAOXTXBBQAPV-CABZTGNLSA-N 1 0 375.803 2.466 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[C@H]1[NH3+] ZINC000667550913 652612979 /nfs/dbraw/zinc/61/29/79/652612979.db2.gz XDGLOUFFGSZTFV-QPUJVOFHSA-N 1 0 390.228 2.252 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000667586227 652614319 /nfs/dbraw/zinc/61/43/19/652614319.db2.gz RRSUHZRTBYYRRI-UWVGGRQHSA-N 1 0 392.656 2.199 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667602402 652614796 /nfs/dbraw/zinc/61/47/96/652614796.db2.gz LBXUYLYNKDULIT-WKEGUHRASA-N 1 0 378.629 2.128 20 0 GEADRO CN(CCC(=O)NCC(=O)c1cncc(Br)c1)c1cc[nH+]cc1 ZINC000633930549 652621369 /nfs/dbraw/zinc/62/13/69/652621369.db2.gz LDXDQWBQKFESEX-UHFFFAOYSA-N 1 0 377.242 2.065 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1F ZINC000667917061 652621876 /nfs/dbraw/zinc/62/18/76/652621876.db2.gz WWPRUJDJEFQIRK-UHFFFAOYSA-N 1 0 389.269 2.072 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 ZINC000633945647 652622301 /nfs/dbraw/zinc/62/23/01/652622301.db2.gz SSJXHWWDIPKBFN-UHFFFAOYSA-N 1 0 391.946 2.139 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2sc(Br)cc2C)C[C@H]1[NH+](C)C ZINC000593570351 652624874 /nfs/dbraw/zinc/62/48/74/652624874.db2.gz CUBSQEQKGUUAKS-ZJUUUORDSA-N 1 0 399.401 2.485 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[N@H+](C)[C@H](C)C1 ZINC000761078364 652631941 /nfs/dbraw/zinc/63/19/41/652631941.db2.gz OUJKEHUFIYRSRG-NEPJUHHUSA-N 1 0 387.265 2.254 20 0 GEADRO COCC[NH+]1CCC(N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000761123656 652633147 /nfs/dbraw/zinc/63/31/47/652633147.db2.gz SBNUOCVYHNGNEF-OAHLLOKOSA-N 1 0 396.285 2.153 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000761128609 652633372 /nfs/dbraw/zinc/63/33/72/652633372.db2.gz DBJHBWLOWZAEQJ-GFCCVEGCSA-N 1 0 378.274 2.244 20 0 GEADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000593730073 652633796 /nfs/dbraw/zinc/63/37/96/652633796.db2.gz BREUBZHIKPGOMG-RYUDHWBXSA-N 1 0 380.388 2.040 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(OC)c(I)n1 ZINC000761154101 652634321 /nfs/dbraw/zinc/63/43/21/652634321.db2.gz BBGJCMGKPWBXJV-JTQLQIEISA-N 1 0 391.253 2.155 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(OC)c(I)n1 ZINC000761154102 652634350 /nfs/dbraw/zinc/63/43/50/652634350.db2.gz BBGJCMGKPWBXJV-SNVBAGLBSA-N 1 0 391.253 2.155 20 0 GEADRO CCCS(=O)(=O)NC1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000761191434 652636265 /nfs/dbraw/zinc/63/62/65/652636265.db2.gz VCDDSHBOCBAYBC-UHFFFAOYSA-N 1 0 377.551 2.084 20 0 GEADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000668478091 652644325 /nfs/dbraw/zinc/64/43/25/652644325.db2.gz NZUTYICZXGJPFE-CVEARBPZSA-N 1 0 382.302 2.474 20 0 GEADRO COCCC[N@H+](C)CCN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000761403460 652646151 /nfs/dbraw/zinc/64/61/51/652646151.db2.gz BPYQJBBNNRQPOF-KRWDZBQOSA-N 1 0 398.301 2.184 20 0 GEADRO CCOc1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc(Br)c1O ZINC000668536062 652646809 /nfs/dbraw/zinc/64/68/09/652646809.db2.gz RSHPIUXMMFWDPU-CQSZACIVSA-N 1 0 385.302 2.460 20 0 GEADRO CCOc1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc(Br)c1O ZINC000668536061 652646890 /nfs/dbraw/zinc/64/68/90/652646890.db2.gz RSHPIUXMMFWDPU-AWEZNQCLSA-N 1 0 385.302 2.460 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)Cc1cc(Br)cc(I)c1 ZINC000594440785 652649884 /nfs/dbraw/zinc/64/98/84/652649884.db2.gz BUYCIKJMYITTRT-SSDOTTSWSA-N 1 0 397.054 2.060 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1F ZINC000594448552 652650583 /nfs/dbraw/zinc/65/05/83/652650583.db2.gz LYHRKTQFVPISKO-UHFFFAOYSA-N 1 0 392.880 2.276 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000668596884 652650813 /nfs/dbraw/zinc/65/08/13/652650813.db2.gz NVOPYMMACIPKNE-YEWDVWPNSA-N 1 0 397.313 2.431 20 0 GEADRO COCCN1CCC([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634700978 652654576 /nfs/dbraw/zinc/65/45/76/652654576.db2.gz IHPZRINKYVFNAY-MRXNPFEDSA-N 1 0 377.312 2.434 20 0 GEADRO CC[C@@H]1CN(C(=O)NCC(=O)Nc2ccc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000668630207 652654471 /nfs/dbraw/zinc/65/44/71/652654471.db2.gz VEELXLLNZUKGMZ-OCCSQVGLSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1c(Br)cncc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668638870 652655677 /nfs/dbraw/zinc/65/56/77/652655677.db2.gz BTPZKIPOUSBWHG-ZDUSSCGKSA-N 1 0 381.318 2.051 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)C[C@@](C)(O)C3CC3)nc12 ZINC000634711881 652656558 /nfs/dbraw/zinc/65/65/58/652656558.db2.gz VXJUSYQHRZPCQS-SJLPKXTDSA-N 1 0 396.329 2.449 20 0 GEADRO C[C@@](O)(C[C@@H](O)C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000634716812 652658053 /nfs/dbraw/zinc/65/80/53/652658053.db2.gz ZXOXTSPQRWMMIY-NVXWUHKLSA-N 1 0 375.918 2.005 20 0 GEADRO CC(C)C[C@H](CNC(=O)c1cc(Br)ccc1-n1cnnn1)[NH+](C)C ZINC000668669823 652658370 /nfs/dbraw/zinc/65/83/70/652658370.db2.gz BIJZFPJSVBMPBL-CYBMUJFWSA-N 1 0 395.305 2.131 20 0 GEADRO OCC[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000634721234 652658936 /nfs/dbraw/zinc/65/89/36/652658936.db2.gz VIXRTKKTPYJFIR-CJNGLKHVSA-N 1 0 378.296 2.299 20 0 GEADRO C[C@](O)(C[C@H](O)C[NH2+]C[C@H](CO)Cc1cccc(Br)c1)C1CC1 ZINC000634720209 652658978 /nfs/dbraw/zinc/65/89/78/652658978.db2.gz GXPZLDRQNDKEHJ-JLSDUUJJSA-N 1 0 386.330 2.102 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1F)CC1(O)CCOCC1 ZINC000634722403 652659746 /nfs/dbraw/zinc/65/97/46/652659746.db2.gz OKKKJGZUSLTSPW-LLVKDONJSA-N 1 0 380.229 2.109 20 0 GEADRO CC(C)Oc1cc(NC[C@@H](O)C[NH+]2CCN(C)CC2)ccc1Br ZINC000634726942 652660281 /nfs/dbraw/zinc/66/02/81/652660281.db2.gz GSNHAHIWSDPTRB-OAHLLOKOSA-N 1 0 386.334 2.257 20 0 GEADRO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1 ZINC000634726527 652660384 /nfs/dbraw/zinc/66/03/84/652660384.db2.gz VQAMIKBMLWBAIS-FZMZJTMJSA-N 1 0 376.404 2.133 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634744748 652661153 /nfs/dbraw/zinc/66/11/53/652661153.db2.gz JMVYQTKNVHZCMD-BNOWGMLFSA-N 1 0 383.286 2.041 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Cc1cc3c(cc1Br)OCCO3)C2 ZINC000634744404 652661182 /nfs/dbraw/zinc/66/11/82/652661182.db2.gz XMNQHBVKSRAQSM-HDICACEKSA-N 1 0 395.297 2.221 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc(Br)c3c(c1)OCCO3)C2 ZINC000634747604 652661341 /nfs/dbraw/zinc/66/13/41/652661341.db2.gz RUMNNVWOABSQKS-CALCHBBNSA-N 1 0 381.270 2.292 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000634754637 652661816 /nfs/dbraw/zinc/66/18/16/652661816.db2.gz GVXUVKCBSSXKPT-HNNXBMFYSA-N 1 0 396.329 2.463 20 0 GEADRO Cc1cc(Br)cn2c(CN3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cnc12 ZINC000668739005 652665285 /nfs/dbraw/zinc/66/52/85/652665285.db2.gz HYHONWKIZNLIGT-QGZVFWFLSA-N 1 0 393.329 2.436 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(C)c(Br)c2)C1 ZINC000634862446 652671672 /nfs/dbraw/zinc/67/16/72/652671672.db2.gz CNMHTMXPHXJXPY-OAHLLOKOSA-N 1 0 396.329 2.174 20 0 GEADRO C[NH+](C)Cc1cc(-c2noc(CS[C@H]3CCS(=O)(=O)C3)n2)ccc1F ZINC000762084418 652671720 /nfs/dbraw/zinc/67/17/20/652671720.db2.gz JBYJIMPOWXOJMR-ZDUSSCGKSA-N 1 0 385.486 2.358 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CO[C@H]1C[NH2+][C@](C)(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000638440852 652889667 /nfs/dbraw/zinc/88/96/67/652889667.db2.gz WEYBNYJMFJRFSC-OCCSQVGLSA-N 1 0 377.229 2.424 20 0 GEADRO NS(=O)(=O)c1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000638449508 652889990 /nfs/dbraw/zinc/88/99/90/652889990.db2.gz SHIXTONVYXHZGY-MRXNPFEDSA-N 1 0 379.551 2.397 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000638503394 652891780 /nfs/dbraw/zinc/89/17/80/652891780.db2.gz QISSVPWEWYGCSR-GJZGRUSLSA-N 1 0 379.913 2.256 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000638503113 652891886 /nfs/dbraw/zinc/89/18/86/652891886.db2.gz NNFGBQMJPUEXET-OAHLLOKOSA-N 1 0 376.254 2.305 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000638508351 652892039 /nfs/dbraw/zinc/89/20/39/652892039.db2.gz OCCTVMJNVZFEPT-KFWWJZLASA-N 1 0 380.286 2.323 20 0 GEADRO [NH3+]C1(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)CCOCC1 ZINC000638537460 652893335 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COc1ncc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Br ZINC000638560474 652894968 /nfs/dbraw/zinc/89/49/68/652894968.db2.gz WLCQDMHVGWSPTF-ZJUUUORDSA-N 1 0 396.207 2.452 20 0 GEADRO C[NH2+]CCOCCNC(=O)c1cc(Br)ccc1Br ZINC000638576304 652895686 /nfs/dbraw/zinc/89/56/86/652895686.db2.gz XTUMQVPCJXKSSP-UHFFFAOYSA-N 1 0 380.080 2.177 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638575394 652895866 /nfs/dbraw/zinc/89/58/66/652895866.db2.gz HRPXCTVUDVKBRQ-ARFHVFGLSA-N 1 0 394.313 2.197 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNCc2nc3cc(Br)ccc3o2)C1 ZINC000638571636 652895878 /nfs/dbraw/zinc/89/58/78/652895878.db2.gz NRFZULNLGKZRJW-GFCCVEGCSA-N 1 0 395.301 2.267 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000674346022 652895918 /nfs/dbraw/zinc/89/59/18/652895918.db2.gz GFGIOXFASDJFJP-ZDUSSCGKSA-N 1 0 385.917 2.377 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(I)c(F)cc3F)C[C@H]21 ZINC000600001152 652896634 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CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638637636 652900492 /nfs/dbraw/zinc/90/04/92/652900492.db2.gz UMLOWTCYMJDCDS-RISCZKNCSA-N 1 0 380.290 2.228 20 0 GEADRO [NH3+]CCCOCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000638657812 652901478 /nfs/dbraw/zinc/90/14/78/652901478.db2.gz PELOPPYBSZNTSU-HNNXBMFYSA-N 1 0 388.295 2.080 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCc2csc(N3CCCC3)n2)CC1 ZINC000638673057 652902087 /nfs/dbraw/zinc/90/20/87/652902087.db2.gz NTEFLDZQKLBEOE-UHFFFAOYSA-N 1 0 386.587 2.126 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N(C)CCOCC[NH3+] ZINC000638672340 652902090 /nfs/dbraw/zinc/90/20/90/652902090.db2.gz DRRHHSRKVLTEPZ-UHFFFAOYSA-N 1 0 395.301 2.299 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2n[nH]c3ccc(Br)cc32)cn1 ZINC000600078960 652902499 /nfs/dbraw/zinc/90/24/99/652902499.db2.gz ZFZWJTWJVGPFQV-UHFFFAOYSA-N 1 0 377.246 2.336 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638697684 652903315 /nfs/dbraw/zinc/90/33/15/652903315.db2.gz DQRKFQOMTMNXDX-XPKDYRNWSA-N 1 0 394.313 2.022 20 0 GEADRO Cc1nnsc1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000638699838 652903731 /nfs/dbraw/zinc/90/37/31/652903731.db2.gz CSZHXLPZFAAUDD-UHFFFAOYSA-N 1 0 386.568 2.415 20 0 GEADRO COc1nsc(CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1Br ZINC000638751653 652906079 /nfs/dbraw/zinc/90/60/79/652906079.db2.gz RUTSSYLAZPMHKW-VXGBXAGGSA-N 1 0 390.347 2.382 20 0 GEADRO COc1nsc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1Br ZINC000638798067 652906959 /nfs/dbraw/zinc/90/69/59/652906959.db2.gz ACIKDTKJVKWKCS-UHFFFAOYSA-N 1 0 383.333 2.219 20 0 GEADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C1C[C@@H]3C[NH2+]C[C@H](C1)C3=O)C2 ZINC000638821955 652907546 /nfs/dbraw/zinc/90/75/46/652907546.db2.gz DVHAQXBISQDXSI-GOOCMWNKSA-N 1 0 391.309 2.457 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1cccc2c1CC[NH2+]C2 ZINC000638840509 652908901 /nfs/dbraw/zinc/90/89/01/652908901.db2.gz FXOMKXRQZWKIOB-UHFFFAOYSA-N 1 0 378.881 2.076 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638884710 652910013 /nfs/dbraw/zinc/91/00/13/652910013.db2.gz IXJMMEPMOMQPFQ-IOASZLSFSA-N 1 0 396.329 2.257 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C1 ZINC000674752605 652911102 /nfs/dbraw/zinc/91/11/02/652911102.db2.gz GPOKIXIFKVSEFS-GMTAPVOTSA-N 1 0 382.370 2.331 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCOc2cccc(Br)c2)cc1 ZINC000674746728 652911335 /nfs/dbraw/zinc/91/13/35/652911335.db2.gz WJPKTYQFSLEBOF-UHFFFAOYSA-N 1 0 385.283 2.265 20 0 GEADRO O=C(Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1)c1ccc(Br)o1 ZINC000638911931 652912737 /nfs/dbraw/zinc/91/27/37/652912737.db2.gz DNZQWVMITXJVTD-STQMWFEESA-N 1 0 390.237 2.481 20 0 GEADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924332 652913738 /nfs/dbraw/zinc/91/37/38/652913738.db2.gz VQJNCHPKWWPASB-TXEJJXNPSA-N 1 0 379.233 2.350 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000638947433 652914667 /nfs/dbraw/zinc/91/46/67/652914667.db2.gz BJIQTFOXKSTYJX-RCBQFDQVSA-N 1 0 381.929 2.489 20 0 GEADRO [NH3+]CC1(NC(=O)CS(=O)(=O)c2cccc(Br)c2)CCCCC1 ZINC000639001839 652915681 /nfs/dbraw/zinc/91/56/81/652915681.db2.gz VLJNMLSPLLAFFC-UHFFFAOYSA-N 1 0 389.315 2.001 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[C@H]([NH3+])CC1)c1ccc(Br)cc1 ZINC000639023521 652916208 /nfs/dbraw/zinc/91/62/08/652916208.db2.gz JXDZJPOLHAYFJP-JYJNAYRXSA-N 1 0 382.302 2.403 20 0 GEADRO CN1CC[C@H]([NH2+]Cc2cc(C(N)=O)no2)C[C@@H]1c1ccc(Br)cc1 ZINC000639042613 652916950 /nfs/dbraw/zinc/91/69/50/652916950.db2.gz IAFCZQILXGCLDT-XJKSGUPXSA-N 1 0 393.285 2.461 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCCNC(=O)C3)C2=O)ccc1Br ZINC000639051573 652917695 /nfs/dbraw/zinc/91/76/95/652917695.db2.gz FUPGYMUILQDKMB-DOMZBBRYSA-N 1 0 380.286 2.121 20 0 GEADRO C[C@H](CO)[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)CC1CCC1 ZINC000639149301 652923046 /nfs/dbraw/zinc/92/30/46/652923046.db2.gz YHZMUKRJTRSWSY-LLVKDONJSA-N 1 0 391.331 2.079 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Cl)cc1O ZINC000639161778 652924474 /nfs/dbraw/zinc/92/44/74/652924474.db2.gz MRHSDZBWCKFZLS-RISCZKNCSA-N 1 0 376.906 2.252 20 0 GEADRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639312772 652931717 /nfs/dbraw/zinc/93/17/17/652931717.db2.gz JYXHHQFACQCWBQ-AWEZNQCLSA-N 1 0 388.269 2.358 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)Nc2cccc(I)c2)cn1 ZINC000600891626 652937616 /nfs/dbraw/zinc/93/76/16/652937616.db2.gz WWIPLRGZXBJSHS-UHFFFAOYSA-N 1 0 384.221 2.302 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639471288 652937860 /nfs/dbraw/zinc/93/78/60/652937860.db2.gz NPSOYZDYQDKHPX-HNNXBMFYSA-N 1 0 377.312 2.122 20 0 GEADRO C[N@H+](C[C@H](O)CC1(O)CCOCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000639459305 652937947 /nfs/dbraw/zinc/93/79/47/652937947.db2.gz IJSDQUDAWJYXJM-JLZZUVOBSA-N 1 0 390.307 2.176 20 0 GEADRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000675731379 652939006 /nfs/dbraw/zinc/93/90/06/652939006.db2.gz GDQYFVMIQKVCNQ-OAHLLOKOSA-N 1 0 380.535 2.490 20 0 GEADRO CNC(=O)NC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639677235 652947877 /nfs/dbraw/zinc/94/78/77/652947877.db2.gz JXQQPYHSNHOXCO-AWEZNQCLSA-N 1 0 376.284 2.127 20 0 GEADRO O=C(NCCc1ccc(Cl)s1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676088522 652953725 /nfs/dbraw/zinc/95/37/25/652953725.db2.gz BCOCJAKMSPCEIE-UHFFFAOYSA-N 1 0 375.841 2.280 20 0 GEADRO O=C(C[NH+]1[C@H](CO)CC[C@H]1CO)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000639783151 652955143 /nfs/dbraw/zinc/95/51/43/652955143.db2.gz UVPJXUOAQNVPOU-GRDNDAEWSA-N 1 0 387.307 2.475 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1csc(Br)c1 ZINC000601258623 653083974 /nfs/dbraw/zinc/08/39/74/653083974.db2.gz WZMNBNJPDRWOIJ-GFCCVEGCSA-N 1 0 376.320 2.421 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000601305194 653085431 /nfs/dbraw/zinc/08/54/31/653085431.db2.gz ZAOUFHAUYASURW-GSBDNUDKSA-N 1 0 384.567 2.468 20 0 GEADRO C[C@]12C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@]1(C)C(=O)NC2=O ZINC000639955099 653089811 /nfs/dbraw/zinc/08/98/11/653089811.db2.gz XYXMQXBGCFOUOJ-IAGOWNOFSA-N 1 0 384.263 2.307 20 0 GEADRO COc1cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)ncc1Br ZINC000639967499 653091462 /nfs/dbraw/zinc/09/14/62/653091462.db2.gz NRGUYGSAGCMJNZ-UHFFFAOYSA-N 1 0 399.289 2.181 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cnc(Cl)c(Br)c1 ZINC000767912725 653095738 /nfs/dbraw/zinc/09/57/38/653095738.db2.gz JDPTUGMYTMUQIB-MNOVXSKESA-N 1 0 389.681 2.482 20 0 GEADRO CC(C)C[NH+]1CCC(Nc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000676496012 653098518 /nfs/dbraw/zinc/09/85/18/653098518.db2.gz BPSQJMJJXYJCEB-UHFFFAOYSA-N 1 0 391.335 2.024 20 0 GEADRO Cc1nn(C)c(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1Br ZINC000640164552 653099090 /nfs/dbraw/zinc/09/90/90/653099090.db2.gz UGUYTBVYEUGASA-LBPRGKRZSA-N 1 0 388.310 2.066 20 0 GEADRO Cc1nn(C)c(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1Br ZINC000640164551 653099119 /nfs/dbraw/zinc/09/91/19/653099119.db2.gz UGUYTBVYEUGASA-GFCCVEGCSA-N 1 0 388.310 2.066 20 0 GEADRO Cc1nn(C)c(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1Br ZINC000640166773 653100679 /nfs/dbraw/zinc/10/06/79/653100679.db2.gz FFKXMGDOAARARH-LLVKDONJSA-N 1 0 388.310 2.113 20 0 GEADRO O=C(Cc1ccc(I)cc1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601551369 653110675 /nfs/dbraw/zinc/11/06/75/653110675.db2.gz HCZYEOPYLCJPBX-ZFWWWQNUSA-N 1 0 384.261 2.434 20 0 GEADRO Cn1cc(Br)c(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000640309389 653114581 /nfs/dbraw/zinc/11/45/81/653114581.db2.gz YXYRXHUTSCHEKH-ZDUSSCGKSA-N 1 0 384.253 2.746 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1nn(C)cc1Br ZINC000640312479 653116589 /nfs/dbraw/zinc/11/65/89/653116589.db2.gz NGMDHWODWGWLCM-IUODEOHRSA-N 1 0 392.301 2.825 20 0 GEADRO Cn1cc(Br)c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000640312373 653116681 /nfs/dbraw/zinc/11/66/81/653116681.db2.gz AZNVCBSCLYEEHD-KBPBESRZSA-N 1 0 378.274 2.750 20 0 GEADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1nn(C)cc1Br)c1ccco1 ZINC000640314997 653118245 /nfs/dbraw/zinc/11/82/45/653118245.db2.gz LGJUPMCUBYYKHG-JQWIXIFHSA-N 1 0 384.278 3.027 20 0 GEADRO C[C@@H](OC(=O)C1SCCS1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768578496 653119081 /nfs/dbraw/zinc/11/90/81/653119081.db2.gz FZVZPPZBPIHKIB-UKRRQHHQSA-N 1 0 380.535 2.115 20 0 GEADRO Cc1n[nH]c(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1Br ZINC000771677407 653123445 /nfs/dbraw/zinc/12/34/45/653123445.db2.gz YGVJFAXPFIFAPC-UHFFFAOYSA-N 1 0 398.349 2.111 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640384883 653124161 /nfs/dbraw/zinc/12/41/61/653124161.db2.gz VQTUCEAETFXCKW-QMMMGPOBSA-N 1 0 387.378 3.046 20 0 GEADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764673 653129453 /nfs/dbraw/zinc/12/94/53/653129453.db2.gz CXJJIJPIWCBGIE-OAHLLOKOSA-N 1 0 377.551 2.037 20 0 GEADRO C[NH+](C)CCOc1cc(NC(=O)CCn2cc(Br)cn2)ccn1 ZINC000678953285 653135625 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Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC([NH2+]C(C)C)CC1 ZINC000769231181 653146478 /nfs/dbraw/zinc/14/64/78/653146478.db2.gz DTOOIWVOCZEJEI-HNNXBMFYSA-N 1 0 388.965 2.167 20 0 GEADRO CC(C)[C@H]([NH3+])c1cn(CC(=O)N(C)Cc2cc(Br)cs2)nn1 ZINC000640980741 653148461 /nfs/dbraw/zinc/14/84/61/653148461.db2.gz YZNPTCNIVDKBFT-AWEZNQCLSA-N 1 0 386.319 2.417 20 0 GEADRO Brc1csc(-c2noc(Cn3cc(C[C@@H]4CC[NH2+]C4)nn3)n2)c1 ZINC000640993576 653149699 /nfs/dbraw/zinc/14/96/99/653149699.db2.gz BZFPBIIOMKLPTG-VIFPVBQESA-N 1 0 395.286 2.352 20 0 GEADRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000769396968 653152052 /nfs/dbraw/zinc/15/20/52/653152052.db2.gz QVTIBPNZDMQLMI-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2ccccc2Br)C1 ZINC000602155738 653152229 /nfs/dbraw/zinc/15/22/29/653152229.db2.gz IUNVPJGKIYWOOT-KGLIPLIRSA-N 1 0 385.302 2.443 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000641043802 653152799 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C[C@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000641439417 653206009 /nfs/dbraw/zinc/20/60/09/653206009.db2.gz GKRXGVFGRUOZQZ-NSHDSACASA-N 1 0 383.290 2.156 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000773552766 653206156 /nfs/dbraw/zinc/20/61/56/653206156.db2.gz SZLMUJNWPLXYST-UHFFFAOYSA-N 1 0 379.258 2.390 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(C)cc1I ZINC000602769998 653206162 /nfs/dbraw/zinc/20/61/62/653206162.db2.gz YLGTYVWYTBSTAV-NSHDSACASA-N 1 0 390.269 2.019 20 0 GEADRO Cn1cc(I)c(C(=O)Nc2ccccc2C[NH+](C)C)n1 ZINC000602780921 653206202 /nfs/dbraw/zinc/20/62/02/653206202.db2.gz CULOKPGAIUMADO-UHFFFAOYSA-N 1 0 384.221 2.339 20 0 GEADRO COc1cc(CS(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000641466839 653209687 /nfs/dbraw/zinc/20/96/87/653209687.db2.gz YPQLHXWVSRKPDS-HNNXBMFYSA-N 1 0 381.523 2.093 20 0 GEADRO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000770435713 653212146 /nfs/dbraw/zinc/21/21/46/653212146.db2.gz QJWUTNMKHKUNPD-KYXHQGGESA-N 1 0 390.311 2.434 20 0 GEADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000808079473 653217181 /nfs/dbraw/zinc/21/71/81/653217181.db2.gz GXOXMCFACNNDFR-HZPDHXFCSA-N 1 0 375.296 2.380 20 0 GEADRO COC(C)(C)CC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602955982 653217529 /nfs/dbraw/zinc/21/75/29/653217529.db2.gz NOKGZEGBJDVKPY-UHFFFAOYSA-N 1 0 390.269 2.018 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccc(Br)cc2)CCCOC1 ZINC000770692611 653220926 /nfs/dbraw/zinc/22/09/26/653220926.db2.gz OYBWKHRYRXGNMJ-INIZCTEOSA-N 1 0 385.258 2.090 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000682726450 653222218 /nfs/dbraw/zinc/22/22/18/653222218.db2.gz MBOZZGKHZBAMRF-MELADBBJSA-N 1 0 387.571 2.344 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000682726451 653222338 /nfs/dbraw/zinc/22/23/38/653222338.db2.gz MBOZZGKHZBAMRF-MGPQQGTHSA-N 1 0 387.571 2.344 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000682726448 653222341 /nfs/dbraw/zinc/22/23/41/653222341.db2.gz MBOZZGKHZBAMRF-BFHYXJOUSA-N 1 0 387.571 2.344 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@H]1CN(C)CCO1 ZINC000682730547 653222690 /nfs/dbraw/zinc/22/26/90/653222690.db2.gz IGUMBNDVOBHEGG-RDTXWAMCSA-N 1 0 398.345 2.094 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000774077803 653223084 /nfs/dbraw/zinc/22/30/84/653223084.db2.gz GNVCRVUIGQETLL-KBPBESRZSA-N 1 0 383.290 2.215 20 0 GEADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000641625622 653224760 /nfs/dbraw/zinc/22/47/60/653224760.db2.gz WJAGNQDYLPXXHG-TZMCWYRMSA-N 1 0 382.452 2.186 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000774143341 653226364 /nfs/dbraw/zinc/22/63/64/653226364.db2.gz IDDVRISYKXHFIV-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000774138626 653226388 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Brc1cscc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000858244391 653356845 /nfs/dbraw/zinc/35/68/45/653356845.db2.gz WIGVCACMELZEEH-NSHDSACASA-N 1 0 379.287 2.317 20 0 GEADRO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858357660 653360812 /nfs/dbraw/zinc/36/08/12/653360812.db2.gz IVKVCNYZYRPZLM-AWEZNQCLSA-N 1 0 382.507 2.183 20 0 GEADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810850051 653361979 /nfs/dbraw/zinc/36/19/79/653361979.db2.gz BGEDHCGXHFZLPQ-LSDHHAIUSA-N 1 0 386.901 2.178 20 0 GEADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810846877 653361998 /nfs/dbraw/zinc/36/19/98/653361998.db2.gz JJRWUCACCAFTEV-AEGPPILISA-N 1 0 386.901 2.177 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CCCCC1 ZINC000858604317 653369117 /nfs/dbraw/zinc/36/91/17/653369117.db2.gz GOOABOSJMONAFP-UHFFFAOYSA-N 1 0 379.404 2.127 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000875435266 653369844 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CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000811447472 653390307 /nfs/dbraw/zinc/39/03/07/653390307.db2.gz MDANWCPTYLYPKU-MRXNPFEDSA-N 1 0 392.880 2.243 20 0 GEADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000777246582 653392216 /nfs/dbraw/zinc/39/22/16/653392216.db2.gz YXPLRGHUNYBGMD-XMTFNYHQSA-N 1 0 380.579 2.330 20 0 GEADRO COC(=O)[C@]12C[N@H+](Cc3cn4ccc(Br)cc4n3)C[C@H]1COCC2 ZINC000811499809 653395074 /nfs/dbraw/zinc/39/50/74/653395074.db2.gz ULPZOPCEZVXCBQ-YVEFUNNKSA-N 1 0 394.269 2.108 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859042271 653396179 /nfs/dbraw/zinc/39/61/79/653396179.db2.gz ZCGQDBQSJAELFK-JTQLQIEISA-N 1 0 380.283 2.088 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000777473910 653399137 /nfs/dbraw/zinc/39/91/37/653399137.db2.gz NBVWKVBRFDNBBY-CYBMUJFWSA-N 1 0 383.949 2.332 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859071747 653400448 /nfs/dbraw/zinc/40/04/48/653400448.db2.gz QNNLESZDHLRJQA-MNOVXSKESA-N 1 0 392.294 2.088 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Br)nc1F ZINC000859097017 653405127 /nfs/dbraw/zinc/40/51/27/653405127.db2.gz KKVLVZBWJYPCNM-SNVBAGLBSA-N 1 0 394.310 2.334 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCSCCC(F)(F)F)CC2)C1 ZINC000876175797 653405755 /nfs/dbraw/zinc/40/57/55/653405755.db2.gz PJOYMOJNAPETQO-AWEZNQCLSA-N 1 0 382.496 2.093 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)NCc2ccc(Br)cn2)CC1 ZINC000876216329 653408796 /nfs/dbraw/zinc/40/87/96/653408796.db2.gz IBJMJSOQVDIIAN-UHFFFAOYSA-N 1 0 385.306 2.096 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCCOCC[NH+](C)C ZINC000777835791 653408847 /nfs/dbraw/zinc/40/88/47/653408847.db2.gz FOVVPXGJHAYEGA-UHFFFAOYSA-N 1 0 397.269 2.172 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccc(Br)cn1 ZINC000876216153 653408896 /nfs/dbraw/zinc/40/88/96/653408896.db2.gz GOCNBERJZRDXCR-UHFFFAOYSA-N 1 0 387.322 2.344 20 0 GEADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2C[C@]2(C)Br)c1 ZINC000859151020 653413123 /nfs/dbraw/zinc/41/31/23/653413123.db2.gz WFKZIJIDZLHEGB-WMZOPIPTSA-N 1 0 399.329 2.433 20 0 GEADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859186997 653419382 /nfs/dbraw/zinc/41/93/82/653419382.db2.gz UCYXRMBIMTXNAT-CYBMUJFWSA-N 1 0 393.285 2.466 20 0 GEADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)[C@H](C)C(C)(F)F)n1 ZINC000876316333 653422279 /nfs/dbraw/zinc/42/22/79/653422279.db2.gz HKDBRSLQEKNLMT-NSHDSACASA-N 1 0 377.457 2.435 20 0 GEADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)[C@@H](C)C(C)(F)F)n1 ZINC000876316332 653422462 /nfs/dbraw/zinc/42/24/62/653422462.db2.gz HKDBRSLQEKNLMT-LLVKDONJSA-N 1 0 377.457 2.435 20 0 GEADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)C2CC(F)(F)C2)n1 ZINC000876317473 653423060 /nfs/dbraw/zinc/42/30/60/653423060.db2.gz YCVQENIHSPAJRV-UHFFFAOYSA-N 1 0 375.441 2.189 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000633040766 653423384 /nfs/dbraw/zinc/42/33/84/653423384.db2.gz KARPXSSOHDSUJF-ONGXEEELSA-N 1 0 382.251 2.066 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)NCC2(c3ccc(Br)cc3)CC2)CC1 ZINC000876335341 653423532 /nfs/dbraw/zinc/42/35/32/653423532.db2.gz BEOMRDCDOBMWFO-UHFFFAOYSA-N 1 0 396.329 2.237 20 0 GEADRO C[N@H+](CC(C)(C)S(C)(=O)=O)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000859218646 653424971 /nfs/dbraw/zinc/42/49/71/653424971.db2.gz MHGJCKKBZXSNSR-UHFFFAOYSA-N 1 0 377.547 2.004 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1Cl ZINC000859232332 653426807 /nfs/dbraw/zinc/42/68/07/653426807.db2.gz JUKTWMLDQFXXAQ-AWEZNQCLSA-N 1 0 375.878 2.137 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837398659 653434121 /nfs/dbraw/zinc/43/41/21/653434121.db2.gz WVWMRPMGQVXDRV-ZDUSSCGKSA-N 1 0 399.333 2.165 20 0 GEADRO COC(=O)Cc1csc(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)n1 ZINC000876553848 653435136 /nfs/dbraw/zinc/43/51/36/653435136.db2.gz SRPFHNVRDUGLQO-UONOGXRCSA-N 1 0 379.869 2.454 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876580467 653436517 /nfs/dbraw/zinc/43/65/17/653436517.db2.gz MAAYAHNDZZZSGV-NHYWBVRUSA-N 1 0 388.270 2.225 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000876597437 653437066 /nfs/dbraw/zinc/43/70/66/653437066.db2.gz ZBZNFNXZYKNZIT-WHOFXGATSA-N 1 0 387.249 2.117 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1(F)F ZINC000876627708 653438688 /nfs/dbraw/zinc/43/86/88/653438688.db2.gz IWYJGMHMZTZWHU-RAIGVLPGSA-N 1 0 375.213 2.189 20 0 GEADRO COC(=O)[C@H](NC(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000876629690 653439202 /nfs/dbraw/zinc/43/92/02/653439202.db2.gz LSVVBCYEABUAJQ-YJIJIMRDSA-N 1 0 381.270 2.335 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)ccc1Br ZINC000876635787 653439495 /nfs/dbraw/zinc/43/94/95/653439495.db2.gz ISZVGQPKWBNICD-WXJAXGNASA-N 1 0 380.286 2.368 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876636562 653440272 /nfs/dbraw/zinc/44/02/72/653440272.db2.gz YYILACMFOHZGQO-GWCFXTLKSA-N 1 0 390.228 2.042 20 0 GEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876664333 653442089 /nfs/dbraw/zinc/44/20/89/653442089.db2.gz SOEMQRRBJFWITG-IRBQFCFKSA-N 1 0 386.901 2.258 20 0 GEADRO COC(=O)c1ccc(CN2CC[NH+](CC(C)(C)O)CC2)cc1Br ZINC000876679201 653442335 /nfs/dbraw/zinc/44/23/35/653442335.db2.gz NHHCVIYILQRJDO-UHFFFAOYSA-N 1 0 385.302 2.124 20 0 GEADRO C[C@@H](NC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000876704826 653443255 /nfs/dbraw/zinc/44/32/55/653443255.db2.gz RLNNHVKTCMMHKD-NDHGSNPTSA-N 1 0 378.416 2.263 20 0 GEADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000876720631 653444076 /nfs/dbraw/zinc/44/40/76/653444076.db2.gz LIONGVONSRFXFM-ZRFDWSJLSA-N 1 0 379.302 2.049 20 0 GEADRO O=C(Nc1ccc(Br)nc1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000876729543 653444530 /nfs/dbraw/zinc/44/45/30/653444530.db2.gz QCLRYTRIQKMOLY-MRVPVSSYSA-N 1 0 387.188 2.160 20 0 GEADRO CON(C)C(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000812885735 653445342 /nfs/dbraw/zinc/44/53/42/653445342.db2.gz SCZDZZNJHRTTMY-GFCCVEGCSA-N 1 0 389.290 2.271 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000859347660 653446829 /nfs/dbraw/zinc/44/68/29/653446829.db2.gz DCUCLPUTLJKMJD-AWEZNQCLSA-N 1 0 386.901 2.422 20 0 GEADRO CC[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000876850776 653450913 /nfs/dbraw/zinc/45/09/13/653450913.db2.gz BVDUIIVHDCYLKS-IAGOWNOFSA-N 1 0 380.330 2.449 20 0 GEADRO COCC1(CNC(=O)c2cc(F)c(Br)cc2F)CC[NH2+]CC1 ZINC000876843005 653451039 /nfs/dbraw/zinc/45/10/39/653451039.db2.gz JSYSKCVLAQVZLV-UHFFFAOYSA-N 1 0 377.229 2.473 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876876183 653451573 /nfs/dbraw/zinc/45/15/73/653451573.db2.gz ALMNAUVALXEXNE-CABZTGNLSA-N 1 0 379.201 2.253 20 0 GEADRO COC(=O)c1cc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc(Br)c1F ZINC000876909995 653453405 /nfs/dbraw/zinc/45/34/05/653453405.db2.gz OOBIKNKCFXRHQN-WRWORJQWSA-N 1 0 377.185 2.261 20 0 GEADRO CCn1ncc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1Br ZINC000876921262 653454566 /nfs/dbraw/zinc/45/45/66/653454566.db2.gz NHDUTIGXPRRTPE-UONOGXRCSA-N 1 0 381.249 2.372 20 0 GEADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000876941538 653455401 /nfs/dbraw/zinc/45/54/01/653455401.db2.gz NBZUXEQBUPBVEV-CQSZACIVSA-N 1 0 378.274 2.401 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H](F)[C@H]1CC[NH2+]C1)C2 ZINC000876980759 653457892 /nfs/dbraw/zinc/45/78/92/653457892.db2.gz IIQXMZFFWSJXPJ-WRWORJQWSA-N 1 0 391.262 2.087 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000778822600 653458420 /nfs/dbraw/zinc/45/84/20/653458420.db2.gz GNKXKGTXOGHNKK-CYBMUJFWSA-N 1 0 398.301 2.231 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000876993026 653458500 /nfs/dbraw/zinc/45/85/00/653458500.db2.gz RXOBKKMOXOEGKH-SFHVURJKSA-N 1 0 386.945 2.128 20 0 GEADRO Cn1nc(I)cc1C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000877015490 653459759 /nfs/dbraw/zinc/45/97/59/653459759.db2.gz RHVDXPYLEXMKQW-UHFFFAOYSA-N 1 0 396.232 2.076 20 0 GEADRO COC(=O)c1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Br ZINC000877022043 653460751 /nfs/dbraw/zinc/46/07/51/653460751.db2.gz NHGJUGLMAHRRGN-UONOGXRCSA-N 1 0 383.286 2.189 20 0 GEADRO CSC(C)(C)CC[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000877019042 653460966 /nfs/dbraw/zinc/46/09/66/653460966.db2.gz TWZJSWWIMAODHY-UHFFFAOYSA-N 1 0 378.585 2.390 20 0 GEADRO CCOC(=O)C1=CC[C@@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000877027712 653461583 /nfs/dbraw/zinc/46/15/83/653461583.db2.gz QNMDNKDZJHTXDV-PBHICJAKSA-N 1 0 381.270 2.391 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)cc1Br ZINC000877025289 653461592 /nfs/dbraw/zinc/46/15/92/653461592.db2.gz GBIRJNJPBJEITQ-QWHCGFSZSA-N 1 0 385.302 2.435 20 0 GEADRO Brc1cnc2c(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cnn2c1 ZINC000877031459 653461983 /nfs/dbraw/zinc/46/19/83/653461983.db2.gz REVMLXLGANHALI-MRXNPFEDSA-N 1 0 394.317 2.225 20 0 GEADRO Brc1cnc2c(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cnn2c1 ZINC000877031456 653462065 /nfs/dbraw/zinc/46/20/65/653462065.db2.gz REVMLXLGANHALI-INIZCTEOSA-N 1 0 394.317 2.225 20 0 GEADRO CSC(C)(C)CC[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000877037931 653462569 /nfs/dbraw/zinc/46/25/69/653462569.db2.gz ZJAYGYRIIVJFID-UHFFFAOYSA-N 1 0 385.599 2.244 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C[NH2+]1 ZINC000877052317 653463849 /nfs/dbraw/zinc/46/38/49/653463849.db2.gz QKCLPLPJEOZZFT-VXGBXAGGSA-N 1 0 387.933 2.287 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H](C)CN2CCOCC2)cc1Br ZINC000877057315 653463972 /nfs/dbraw/zinc/46/39/72/653463972.db2.gz ACXVHJRQHJDZJZ-CYBMUJFWSA-N 1 0 385.302 2.294 20 0 GEADRO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@@H](O)c1c(F)cccc1F ZINC000877063781 653464339 /nfs/dbraw/zinc/46/43/39/653464339.db2.gz KDWFUASHLSWRDB-SWLSCSKDSA-N 1 0 376.450 2.276 20 0 GEADRO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@@H](O)c1c(F)cccc1F ZINC000877063780 653464509 /nfs/dbraw/zinc/46/45/09/653464509.db2.gz KDWFUASHLSWRDB-IUODEOHRSA-N 1 0 376.450 2.276 20 0 GEADRO C[C@H]([NH3+])CN(C)C(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000877096387 653465734 /nfs/dbraw/zinc/46/57/34/653465734.db2.gz FNDOXBBMOSDNTL-JTQLQIEISA-N 1 0 380.539 2.315 20 0 GEADRO C[C@H]([NH3+])CN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000877099709 653465802 /nfs/dbraw/zinc/46/58/02/653465802.db2.gz MMXSHCBXFQUOGW-TVQRCGJNSA-N 1 0 387.267 2.004 20 0 GEADRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1c(I)cnn1C ZINC000837741825 653465764 /nfs/dbraw/zinc/46/57/64/653465764.db2.gz LTJXZFDJPVGISY-LLVKDONJSA-N 1 0 391.253 2.444 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000877096376 653465921 /nfs/dbraw/zinc/46/59/21/653465921.db2.gz FDIQXFTWAOGMOH-SNVBAGLBSA-N 1 0 380.539 2.315 20 0 GEADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)CC1 ZINC000877124014 653467047 /nfs/dbraw/zinc/46/70/47/653467047.db2.gz RPKGHTOPJORWKS-KOMQPUFPSA-N 1 0 394.313 2.137 20 0 GEADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877125659 653467138 /nfs/dbraw/zinc/46/71/38/653467138.db2.gz RUIDBLARQPRBNL-CVEARBPZSA-N 1 0 391.269 2.066 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877190662 653471232 /nfs/dbraw/zinc/47/12/32/653471232.db2.gz OAIQTQWXFCGHKX-SBTGLGLWSA-N 1 0 386.315 2.111 20 0 GEADRO COc1ccc([C@@H]2CN(C(=O)c3c[nH]c(=O)c(Br)c3)C[C@H]2[NH3+])cc1 ZINC000877236978 653472602 /nfs/dbraw/zinc/47/26/02/653472602.db2.gz MBSJSKSFCVUJBS-DZGCQCFKSA-N 1 0 392.253 2.125 20 0 GEADRO [NH3+]CCc1nc(C(=O)N[C@@H]2COc3cccc(Br)c3C2)cs1 ZINC000877259622 653473145 /nfs/dbraw/zinc/47/31/45/653473145.db2.gz UFEFIYPADWWEFZ-VIFPVBQESA-N 1 0 382.283 2.140 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(Br)c(Br)c1 ZINC000877265042 653473458 /nfs/dbraw/zinc/47/34/58/653473458.db2.gz FRNSPRYMHZUNBO-SNVBAGLBSA-N 1 0 394.063 2.431 20 0 GEADRO C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000877264948 653473533 /nfs/dbraw/zinc/47/35/33/653473533.db2.gz CRJFRSKQAPXIDR-NSHDSACASA-N 1 0 379.096 2.429 20 0 GEADRO O=C1O[C@H](C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)CC12CC2 ZINC000859574787 653474823 /nfs/dbraw/zinc/47/48/23/653474823.db2.gz RHJVAIRHYQMIEO-YJBOKZPZSA-N 1 0 380.282 2.354 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1ccc(Br)cc1 ZINC000877287026 653474945 /nfs/dbraw/zinc/47/49/45/653474945.db2.gz HZWYYQUBMORQGC-BRWVUGGUSA-N 1 0 394.313 2.369 20 0 GEADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285226 653475018 /nfs/dbraw/zinc/47/50/18/653475018.db2.gz RTVIRAATBIKPPD-DUVNUKRYSA-N 1 0 392.297 2.155 20 0 GEADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285230 653475057 /nfs/dbraw/zinc/47/50/57/653475057.db2.gz RTVIRAATBIKPPD-NOLJZWGESA-N 1 0 392.297 2.155 20 0 GEADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Br)cc2[nH]cnc21 ZINC000877326858 653476230 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AXWQDYPYTGHDDV-UHFFFAOYSA-N 1 0 389.363 2.126 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@H]1CCCCO1 ZINC000780015107 653619025 /nfs/dbraw/zinc/61/90/25/653619025.db2.gz OFPJCNJYFJHUAX-ZIAGYGMSSA-N 1 0 375.922 2.253 20 0 GEADRO O=C(NCc1ccc(Br)cc1F)NC[C@H]1CCC[N@H+]1CCCO ZINC000838443811 653621980 /nfs/dbraw/zinc/62/19/80/653621980.db2.gz AOHXALVQIMEUGK-CQSZACIVSA-N 1 0 388.281 2.234 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000838475701 653623301 /nfs/dbraw/zinc/62/33/01/653623301.db2.gz JHPXDKOWUKVQLX-WBMJQRKESA-N 1 0 382.302 2.361 20 0 GEADRO OCC1(C[C@@H](O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)CCCC1 ZINC000877930435 653623710 /nfs/dbraw/zinc/62/37/10/653623710.db2.gz HRGDJDTWMCULHX-MRXNPFEDSA-N 1 0 398.345 2.270 20 0 GEADRO Cn1ncc(Br)c1CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000877935411 653623855 /nfs/dbraw/zinc/62/38/55/653623855.db2.gz KVWAVRMKHUQCQJ-CQSZACIVSA-N 1 0 379.302 2.014 20 0 GEADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 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O=c1cc([C@@H]2CC[N@@H+](C[C@@H](O)c3ccccc3Br)C2)[nH]c(=O)[nH]1 ZINC000878797230 653647720 /nfs/dbraw/zinc/64/77/20/653647720.db2.gz WPPSGDFBJZFOQF-QMTHXVAHSA-N 1 0 380.242 2.173 20 0 GEADRO O=c1cc([C@@H]2CC[N@@H+](C[C@H](O)c3ccc(F)c(Br)c3)C2)[nH]c(=O)[nH]1 ZINC000878794714 653647732 /nfs/dbraw/zinc/64/77/32/653647732.db2.gz FZBROYNVUAWPLX-YGRLFVJLSA-N 1 0 398.232 2.312 20 0 GEADRO C[N@@H+]1CCN(C[C@@H](O)c2cc(Br)no2)[C@@H](Cc2ccccc2)C1 ZINC000878807873 653648065 /nfs/dbraw/zinc/64/80/65/653648065.db2.gz JNLKEHHKQASVPX-LSDHHAIUSA-N 1 0 380.286 2.329 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(SC(F)(F)F)nc2)CC1 ZINC000839488500 653651373 /nfs/dbraw/zinc/65/13/73/653651373.db2.gz PHZXOEJGGSCJSA-UHFFFAOYSA-N 1 0 376.404 2.090 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@]1(O)CCCC1(C)C ZINC000815146950 653653419 /nfs/dbraw/zinc/65/34/19/653653419.db2.gz LKJAXLBRBCOQIS-SUMWQHHRSA-N 1 0 389.949 2.235 20 0 GEADRO O=C1NCC2(CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)O1 ZINC000782003859 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COC(=O)[C@@H](c1ccc(Br)s1)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000879493055 653670435 /nfs/dbraw/zinc/67/04/35/653670435.db2.gz HABSNCCFOVHRMW-SMDDNHRTSA-N 1 0 391.331 2.112 20 0 GEADRO CCC[C@@H]1CN(Cn2nc(C(=O)OCC)sc2=S)CC[N@@H+]1CCOC ZINC000782840675 653670905 /nfs/dbraw/zinc/67/09/05/653670905.db2.gz ZSRMGGUHYSFCTJ-CYBMUJFWSA-N 1 0 388.559 2.241 20 0 GEADRO Cc1nccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1Br ZINC000782855749 653671046 /nfs/dbraw/zinc/67/10/46/653671046.db2.gz AMBHVWJYHZWHPU-AWEZNQCLSA-N 1 0 397.317 2.339 20 0 GEADRO CN1C(=O)[C@H]2C[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@H]2C1=O ZINC000879533398 653671696 /nfs/dbraw/zinc/67/16/96/653671696.db2.gz GCCBIJJVDREFOZ-BETUJISGSA-N 1 0 390.237 2.151 20 0 GEADRO CN1C(=O)[C@H]2C[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]2C1=O ZINC000879531937 653671735 /nfs/dbraw/zinc/67/17/35/653671735.db2.gz MNMUEWAWXWZZTM-OKILXGFUSA-N 1 0 390.237 2.151 20 0 GEADRO CC(=O)N[C@H](C(=O)NCC[N@H+]1CCC[C@H]1C)c1cccc(Br)c1 ZINC000879537286 653671923 /nfs/dbraw/zinc/67/19/23/653671923.db2.gz XEONCKAKDIDZFZ-WBMJQRKESA-N 1 0 382.302 2.227 20 0 GEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cn1ncn(CC(F)(F)F)c1=S ZINC000782898512 653671986 /nfs/dbraw/zinc/67/19/86/653671986.db2.gz MALSDDLDINILMC-LBPRGKRZSA-N 1 0 379.452 2.119 20 0 GEADRO COc1cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cnc1Br ZINC000861985777 653672418 /nfs/dbraw/zinc/67/24/18/653672418.db2.gz BSPSAESGKQQOLB-UHFFFAOYSA-N 1 0 398.301 2.180 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(CCS(=O)(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000879565915 653673032 /nfs/dbraw/zinc/67/30/32/653673032.db2.gz ANNBYEJPAHGTOX-BBRMVZONSA-N 1 0 387.343 2.249 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3ccc(I)cc3)CC[C@@H]21 ZINC000879574649 653673308 /nfs/dbraw/zinc/67/33/08/653673308.db2.gz FRZUCJYALJHHNC-WFASDCNBSA-N 1 0 399.276 2.256 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccccc3I)CC[C@H]21 ZINC000879577394 653673351 /nfs/dbraw/zinc/67/33/51/653673351.db2.gz XPLWJSITSJIGOZ-IUODEOHRSA-N 1 0 399.276 2.256 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000879581771 653673571 /nfs/dbraw/zinc/67/35/71/653673571.db2.gz NUUOTYBMHDAFPF-VMGRFDJRSA-N 1 0 387.293 2.354 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(Cn3c(=O)oc4ccc(Br)cc43)[C@H]2C1 ZINC000840083586 653673774 /nfs/dbraw/zinc/67/37/74/653673774.db2.gz JNPQUYPGHDRRKP-LSDHHAIUSA-N 1 0 396.285 2.110 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(Cn3nc(Br)nc3Br)C2)C1 ZINC000840086635 653673858 /nfs/dbraw/zinc/67/38/58/653673858.db2.gz NLAAWJFJSYTMHH-LBPRGKRZSA-N 1 0 393.127 2.178 20 0 GEADRO O[C@@H]1CCC[C@H]1[C@@H]1CCCCN1Cn1nc(N2CCOCC2)sc1=S ZINC000840115733 653674929 /nfs/dbraw/zinc/67/49/29/653674929.db2.gz NIXXAQBMNIYCES-SOUVJXGZSA-N 1 0 384.571 2.484 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000862092498 653675265 /nfs/dbraw/zinc/67/52/65/653675265.db2.gz WHYBLDFKOATGHY-ZDUSSCGKSA-N 1 0 395.301 2.224 20 0 GEADRO C[C@@H]1CN(Cn2ncn(CCc3cccs3)c2=S)C[C@H](C)[N@H+]1CCO ZINC000840134780 653675984 /nfs/dbraw/zinc/67/59/84/653675984.db2.gz PAAAZFCUVNLIGD-GASCZTMLSA-N 1 0 381.571 2.063 20 0 GEADRO Cn1nc(Br)cc1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000879644509 653676846 /nfs/dbraw/zinc/67/68/46/653676846.db2.gz DYWBZUOOTAUXOR-CYBMUJFWSA-N 1 0 380.290 2.477 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000783328718 653677528 /nfs/dbraw/zinc/67/75/28/653677528.db2.gz CYVCFNZBPGXJCC-JSGCOSHPSA-N 1 0 397.317 2.422 20 0 GEADRO COC[C@H]([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1cccc(Br)c1 ZINC000879663709 653678161 /nfs/dbraw/zinc/67/81/61/653678161.db2.gz QOERVINECFATSV-WMZOPIPTSA-N 1 0 393.281 2.099 20 0 GEADRO C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@H](CO)C1)c1ccc(Cl)cc1Cl ZINC000879692277 653678862 /nfs/dbraw/zinc/67/88/62/653678862.db2.gz JFPFZASIMSKLIX-XQHKEYJVSA-N 1 0 375.296 2.092 20 0 GEADRO CC(C)[N@H+](C[C@@H]1CCC(=O)N1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000840189577 653679156 /nfs/dbraw/zinc/67/91/56/653679156.db2.gz RNZMLMFWYIQJLS-LBPRGKRZSA-N 1 0 393.285 2.106 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Br)cc(C=O)c2)CCO1 ZINC000862236067 653681004 /nfs/dbraw/zinc/68/10/04/653681004.db2.gz IEWXRRIAAGEGBX-MRXNPFEDSA-N 1 0 383.286 2.444 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cn(-c3ccccc3Br)nn2)CCC1 ZINC000783751464 653684001 /nfs/dbraw/zinc/68/40/01/653684001.db2.gz LYYSIXCEDFIPIP-UHFFFAOYSA-N 1 0 378.274 2.244 20 0 GEADRO Cn1c(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)cnc1Cl ZINC000862539053 653688184 /nfs/dbraw/zinc/68/81/84/653688184.db2.gz WSVCVYBYJUEAFE-BQUFFADESA-N 1 0 376.810 2.305 20 0 GEADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@H](CO)C[NH+](C)C ZINC000816618716 653688884 /nfs/dbraw/zinc/68/88/84/653688884.db2.gz GOVFYJFIBHIRMM-ZDUSSCGKSA-N 1 0 385.295 2.199 20 0 GEADRO COc1cc(C2SCCS2)ccc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000840752752 653692873 /nfs/dbraw/zinc/69/28/73/653692873.db2.gz IBEIZYCPHHFSEX-OAHLLOKOSA-N 1 0 384.567 2.161 20 0 GEADRO Cn1cc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(Br)n1 ZINC000880041533 653693618 /nfs/dbraw/zinc/69/36/18/653693618.db2.gz MHVWVDNHKBIPRU-ZDUSSCGKSA-N 1 0 380.290 2.477 20 0 GEADRO C[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C[NH+](C)C ZINC000816831913 653694277 /nfs/dbraw/zinc/69/42/77/653694277.db2.gz JQXDUFADTZRXLT-GFCCVEGCSA-N 1 0 389.949 2.344 20 0 GEADRO C[C@@H]1CN(C(=S)NCc2cccc(C(F)(F)F)c2)C[C@H](C)[N@H+]1CCO ZINC000840804230 653694747 /nfs/dbraw/zinc/69/47/47/653694747.db2.gz APMRNCNFABQGHT-BETUJISGSA-N 1 0 375.460 2.467 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)C1 ZINC000816879330 653695051 /nfs/dbraw/zinc/69/50/51/653695051.db2.gz MRABNMFULRQEID-CYBMUJFWSA-N 1 0 387.933 2.380 20 0 GEADRO C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000784486585 653695628 /nfs/dbraw/zinc/69/56/28/653695628.db2.gz JKMWXNJWOICKRM-SNVBAGLBSA-N 1 0 382.345 2.056 20 0 GEADRO COC(=O)[C@H]1CN(C(=S)Nc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000840856704 653696836 /nfs/dbraw/zinc/69/68/36/653696836.db2.gz JUVXOBUBSHKBNP-LLVKDONJSA-N 1 0 386.315 2.183 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1cccc(I)c1 ZINC000880135310 653698826 /nfs/dbraw/zinc/69/88/26/653698826.db2.gz TWLLABDVOBQCJR-LSDHHAIUSA-N 1 0 399.276 2.398 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1ccccc1I ZINC000880133271 653698997 /nfs/dbraw/zinc/69/89/97/653698997.db2.gz HUKMROVHCSRIQS-HUUCEWRRSA-N 1 0 399.276 2.398 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000784820836 653699824 /nfs/dbraw/zinc/69/98/24/653699824.db2.gz HHYHTGKOVVZPFK-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1csc(I)n1 ZINC000863031015 653700621 /nfs/dbraw/zinc/70/06/21/653700621.db2.gz BWRTZQVXEKSZPN-SNVBAGLBSA-N 1 0 391.278 2.494 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)CC1SC(=N)NC1=O)c1ccc(Cl)c(Cl)c1 ZINC000863038521 653700854 /nfs/dbraw/zinc/70/08/54/653700854.db2.gz WFQLGLWKUPZJNJ-VXGBXAGGSA-N 1 0 389.308 2.269 20 0 GEADRO C[C@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)s2)CCN1c1cc[nH+]cc1 ZINC000880259618 653702075 /nfs/dbraw/zinc/70/20/75/653702075.db2.gz XGQPLJDSITXSPK-AWEZNQCLSA-N 1 0 380.539 2.104 20 0 GEADRO COc1cc(Cl)ccc1OS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000817146543 653703867 /nfs/dbraw/zinc/70/38/67/653703867.db2.gz GOSMLDZGKKSDRE-UHFFFAOYSA-N 1 0 387.889 2.491 20 0 GEADRO NC(=O)C[N@H+](CCCC(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000880395671 653705413 /nfs/dbraw/zinc/70/54/13/653705413.db2.gz PRVOLFCPDHRVSW-UHFFFAOYSA-N 1 0 383.286 2.378 20 0 GEADRO CC[C@H]([NH3+])CNCc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000841071009 653705673 /nfs/dbraw/zinc/70/56/73/653705673.db2.gz BYYBTLIUWVCCMH-ZDUSSCGKSA-N 1 0 395.388 2.413 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCO1 ZINC000841094324 653706126 /nfs/dbraw/zinc/70/61/26/653706126.db2.gz XLKXQFWUJDBQKQ-LRDDRELGSA-N 1 0 384.933 2.473 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCCO1 ZINC000841093038 653706159 /nfs/dbraw/zinc/70/61/59/653706159.db2.gz PQKQMKCYZCKIMD-CQSZACIVSA-N 1 0 384.933 2.475 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000841095684 653706310 /nfs/dbraw/zinc/70/63/10/653706310.db2.gz IUSKHUKTXAVGPJ-VIFPVBQESA-N 1 0 383.392 2.238 20 0 GEADRO C[C@@]12CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)C[C@@H]1C2(Cl)Cl ZINC000841124956 653706705 /nfs/dbraw/zinc/70/67/05/653706705.db2.gz ARCWKZOQKULOAO-WMLDXEAASA-N 1 0 382.291 2.313 20 0 GEADRO C[C@H]1C[C@H](NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC[NH2+]1 ZINC000841131725 653707116 /nfs/dbraw/zinc/70/71/16/653707116.db2.gz NFYYXRHVHLZWNI-WCQYABFASA-N 1 0 389.905 2.025 20 0 GEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841132655 653707252 /nfs/dbraw/zinc/70/72/52/653707252.db2.gz DENREGYIYCXXOS-ZDUSSCGKSA-N 1 0 389.905 2.027 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000785384401 653708030 /nfs/dbraw/zinc/70/80/30/653708030.db2.gz DJYXUUBAUNRTMP-GFCCVEGCSA-N 1 0 383.290 2.080 20 0 GEADRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cc(Br)nn3C)cn2)C[C@H](C)O1 ZINC000785418746 653709226 /nfs/dbraw/zinc/70/92/26/653709226.db2.gz ZOGSTEPEQJIXRS-STQMWFEESA-N 1 0 394.317 2.481 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)CC[C@H]1[NH3+] ZINC000841180010 653709307 /nfs/dbraw/zinc/70/93/07/653709307.db2.gz USZKKMSXEJMNFC-CMPLNLGQSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)CC[C@@H]1[NH3+] ZINC000841180014 653709381 /nfs/dbraw/zinc/70/93/81/653709381.db2.gz USZKKMSXEJMNFC-PWSUYJOCSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(Br)nn1C)c1cccc(NS(C)(=O)=O)c1 ZINC000785438100 653709455 /nfs/dbraw/zinc/70/94/55/653709455.db2.gz VAZPWVDOGNOQOC-SNVBAGLBSA-N 1 0 387.303 2.405 20 0 GEADRO Cn1nc(Br)cc1C[NH2+][C@H](Cc1ccccc1)CN1CCOCC1 ZINC000785471453 653709633 /nfs/dbraw/zinc/70/96/33/653709633.db2.gz WNZMJUIFTPWVST-MRXNPFEDSA-N 1 0 393.329 2.216 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(F)cc(Br)c1F)C1CCC([NH3+])CC1 ZINC000841188422 653709690 /nfs/dbraw/zinc/70/96/90/653709690.db2.gz DKMXAZAXMLPLJW-UHFFFAOYSA-N 1 0 390.228 2.394 20 0 GEADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000785483234 653709747 /nfs/dbraw/zinc/70/97/47/653709747.db2.gz MMCMZZAONRQSPM-BMFZPTHFSA-N 1 0 389.297 2.429 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841218190 653710778 /nfs/dbraw/zinc/71/07/78/653710778.db2.gz QAOINRNWYBAWGB-IINYFYTJSA-N 1 0 391.269 2.050 20 0 GEADRO Cn1nc(Br)cc1C[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000785507768 653710949 /nfs/dbraw/zinc/71/09/49/653710949.db2.gz IWXVJTPHPRGTBI-VIFPVBQESA-N 1 0 385.212 2.356 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@H]1[NH3+] ZINC000841229938 653711278 /nfs/dbraw/zinc/71/12/78/653711278.db2.gz SMHVQLHLFDVQHQ-LDYMZIIASA-N 1 0 389.681 2.022 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)cnc(Cl)c1Br ZINC000841232823 653711495 /nfs/dbraw/zinc/71/14/95/653711495.db2.gz ZOLQRLCPJVJWBZ-IUCAKERBSA-N 1 0 389.681 2.001 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000880683261 653711658 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O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000863550507 653715634 /nfs/dbraw/zinc/71/56/34/653715634.db2.gz YCPMHNRRJGFTAT-CVEARBPZSA-N 1 0 398.276 2.345 20 0 GEADRO COC(=O)C1=CC[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000863570404 653715805 /nfs/dbraw/zinc/71/58/05/653715805.db2.gz GNRKLMKJMKJPKJ-KBPBESRZSA-N 1 0 388.233 2.179 20 0 GEADRO COC(=O)C1=CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000863572274 653716021 /nfs/dbraw/zinc/71/60/21/653716021.db2.gz MOLMACMWJHPIQB-ZDUSSCGKSA-N 1 0 388.283 2.074 20 0 GEADRO COC(=O)COCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000863580988 653716544 /nfs/dbraw/zinc/71/65/44/653716544.db2.gz TVTMSTKWWZPSAH-CQSZACIVSA-N 1 0 380.666 2.089 20 0 GEADRO O=C(NCc1noc([C@H](F)[C@@H]2CC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000863674807 653718615 /nfs/dbraw/zinc/71/86/15/653718615.db2.gz BOKLVNPGVWSDCU-ZWNOBZJWSA-N 1 0 383.221 2.382 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)C2CC2)c(F)cc1Cl ZINC000841479430 653719181 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2.242 20 0 GEADRO C[NH2+]C1(CNC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)CCC1 ZINC000863922761 653722321 /nfs/dbraw/zinc/72/23/21/653722321.db2.gz BSZGUOFQUIZITN-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ncc1F ZINC000817972112 653723103 /nfs/dbraw/zinc/72/31/03/653723103.db2.gz JRYLIGWLZMTGBE-SKDRFNHKSA-N 1 0 399.230 2.470 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000881269669 653723632 /nfs/dbraw/zinc/72/36/32/653723632.db2.gz JGXYJSRZCGXZPH-JTQLQIEISA-N 1 0 397.273 2.243 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1Cl ZINC000818003251 653723709 /nfs/dbraw/zinc/72/37/09/653723709.db2.gz SSXGCCGKQLXHHW-OAHLLOKOSA-N 1 0 387.933 2.180 20 0 GEADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000818012642 653723851 /nfs/dbraw/zinc/72/38/51/653723851.db2.gz RIBNXNZSGONWEE-CQSZACIVSA-N 1 0 393.285 2.133 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC(C)(C)CC[NH3+])ccc1Cl ZINC000818021312 653724041 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[NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cc(Br)cnc2F)C1 ZINC000864086650 653725922 /nfs/dbraw/zinc/72/59/22/653725922.db2.gz HMFDPCSARKJHJH-MRVWCRGKSA-N 1 0 386.265 2.484 20 0 GEADRO O=C(NCCc1ccc(Br)cc1F)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000818118004 653726074 /nfs/dbraw/zinc/72/60/74/653726074.db2.gz KNGXAZKCIHBHTR-CYBMUJFWSA-N 1 0 396.264 2.077 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1Cl ZINC000818430054 653731335 /nfs/dbraw/zinc/73/13/35/653731335.db2.gz KRJNEXHEFZJUMM-LBPRGKRZSA-N 1 0 386.901 2.279 20 0 GEADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ncc(Br)s1 ZINC000881444974 653731701 /nfs/dbraw/zinc/73/17/01/653731701.db2.gz WIWKCWNRIABIJA-ZDUSSCGKSA-N 1 0 376.320 2.315 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(C[NH3+])c2)s1 ZINC000818463429 653731689 /nfs/dbraw/zinc/73/16/89/653731689.db2.gz BDLHOOYDTSFELT-UHFFFAOYSA-N 1 0 381.523 2.167 20 0 GEADRO CCn1ncc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1Br ZINC000881470079 653732197 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O=C(c1cn(-c2ccccc2Br)nn1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000818590925 653734219 /nfs/dbraw/zinc/73/42/19/653734219.db2.gz HLHNXTIGSSTMIV-KRWDZBQOSA-N 1 0 390.285 2.246 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC000881621428 653734240 /nfs/dbraw/zinc/73/42/40/653734240.db2.gz AMAJZFZTRLIBBE-UHFFFAOYSA-N 1 0 385.295 2.334 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C2(C[NH3+])CCC2)c1 ZINC000818596552 653734435 /nfs/dbraw/zinc/73/44/35/653734435.db2.gz IZIGRXKSTPQROM-UHFFFAOYSA-N 1 0 387.933 2.322 20 0 GEADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)CCOC1C[NH2+]C1 ZINC000818609982 653734944 /nfs/dbraw/zinc/73/49/44/653734944.db2.gz TYVKLFGZQYILME-UHFFFAOYSA-N 1 0 386.246 2.335 20 0 GEADRO COc1cc(I)ccc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000864396949 653735158 /nfs/dbraw/zinc/73/51/58/653735158.db2.gz OWWSUKYDYLOPGO-UHFFFAOYSA-N 1 0 388.249 2.466 20 0 GEADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000881774617 653738514 /nfs/dbraw/zinc/73/85/14/653738514.db2.gz RLFWOALIVDIZTM-QHCPKHFHSA-N 1 0 379.592 2.466 20 0 GEADRO CNS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000818944974 653738858 /nfs/dbraw/zinc/73/88/58/653738858.db2.gz SLIOFVLGTKDLED-KRWDZBQOSA-N 1 0 386.876 2.352 20 0 GEADRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000818954141 653739225 /nfs/dbraw/zinc/73/92/25/653739225.db2.gz QVJAWLOBIFXBQX-MRXNPFEDSA-N 1 0 399.310 2.180 20 0 GEADRO O=C(CC[NH2+]C[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc(Br)cc1 ZINC000818986354 653739953 /nfs/dbraw/zinc/73/99/53/653739953.db2.gz MERCRELWHKFRMB-CVEARBPZSA-N 1 0 382.302 2.231 20 0 GEADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818997792 653740376 /nfs/dbraw/zinc/74/03/76/653740376.db2.gz LDHUXFQXQOAGCD-IAGOWNOFSA-N 1 0 398.345 2.015 20 0 GEADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819002043 653740502 /nfs/dbraw/zinc/74/05/02/653740502.db2.gz HSDCZMIONFMEMQ-RISCZKNCSA-N 1 0 375.238 2.442 20 0 GEADRO CS(=O)(=O)CC[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 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CCn1ncc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1Br ZINC000820013153 653764717 /nfs/dbraw/zinc/76/47/17/653764717.db2.gz XFHFWYLWJMYXTM-UHFFFAOYSA-N 1 0 392.301 2.455 20 0 GEADRO O[C@H](CNCc1cccnc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000865411585 653764722 /nfs/dbraw/zinc/76/47/22/653764722.db2.gz GAEWIINZPYBXSZ-QGZVFWFLSA-N 1 0 376.298 2.353 20 0 GEADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842723642 653764795 /nfs/dbraw/zinc/76/47/95/653764795.db2.gz FNSPUDIWRIHURJ-VIFPVBQESA-N 1 0 395.710 2.012 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000842746096 653765783 /nfs/dbraw/zinc/76/57/83/653765783.db2.gz NOAOEMGRUIXMBK-JTQLQIEISA-N 1 0 380.695 2.013 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNc2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865459764 653765947 /nfs/dbraw/zinc/76/59/47/653765947.db2.gz CMTRGMBKNPAQDM-NSHDSACASA-N 1 0 376.320 2.240 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000788916058 653766264 /nfs/dbraw/zinc/76/62/64/653766264.db2.gz IBTKWLJEOMLHHJ-UHFFFAOYSA-N 1 0 389.905 2.018 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865476615 653766313 /nfs/dbraw/zinc/76/63/13/653766313.db2.gz PIYLRYDWUSSKFR-NSHDSACASA-N 1 0 376.320 2.239 20 0 GEADRO Cc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c(C)c1Br ZINC000865473488 653766380 /nfs/dbraw/zinc/76/63/80/653766380.db2.gz PZEBEPIYBFLMPY-UHFFFAOYSA-N 1 0 376.316 2.095 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000842791700 653767591 /nfs/dbraw/zinc/76/75/91/653767591.db2.gz ZFVXZTQYSRDYCX-MWLCHTKSSA-N 1 0 375.288 2.010 20 0 GEADRO Brc1cccc(NCC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)c1 ZINC000865524602 653767602 /nfs/dbraw/zinc/76/76/02/653767602.db2.gz YGVCCVCXHHNSSH-INIZCTEOSA-N 1 0 380.290 2.421 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CC[C@H]1[NH3+] ZINC000842793977 653767752 /nfs/dbraw/zinc/76/77/52/653767752.db2.gz VCYUXTAGDFPHJP-WCBMZHEXSA-N 1 0 382.711 2.245 20 0 GEADRO O=C(Cn1nc(C(F)(F)F)cc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000882193099 653768359 /nfs/dbraw/zinc/76/83/59/653768359.db2.gz YVMGHTIYKLCBFT-UHFFFAOYSA-N 1 0 395.223 2.407 20 0 GEADRO C[C@@H]([NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1(S(C)(=O)=O)CC1 ZINC000865564458 653768631 /nfs/dbraw/zinc/76/86/31/653768631.db2.gz MZQKENYDGTXJNL-MNOVXSKESA-N 1 0 388.452 2.387 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CC1(S(C)(=O)=O)CCCC1)CC(F)F ZINC000865566692 653768669 /nfs/dbraw/zinc/76/86/69/653768669.db2.gz NIILTCXLLFKNFW-GFCCVEGCSA-N 1 0 384.489 2.482 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000842825528 653769589 /nfs/dbraw/zinc/76/95/89/653769589.db2.gz QZRBSDXRPWIMKT-UHFFFAOYSA-N 1 0 386.901 2.199 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1Br ZINC000842838040 653770310 /nfs/dbraw/zinc/77/03/10/653770310.db2.gz GDCDHRCKAZLRGZ-LBPRGKRZSA-N 1 0 389.315 2.401 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)[C@@H]2C1 ZINC000820264932 653770418 /nfs/dbraw/zinc/77/04/18/653770418.db2.gz 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COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000842871223 653771361 /nfs/dbraw/zinc/77/13/61/653771361.db2.gz NKFWQESDHFXQHU-WCQYABFASA-N 1 0 381.885 2.269 20 0 GEADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842876572 653771514 /nfs/dbraw/zinc/77/15/14/653771514.db2.gz UCRGZOLVOXTLAM-VXGBXAGGSA-N 1 0 384.889 2.277 20 0 GEADRO C[NH+](C)CCCNC(=S)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000789320106 653771659 /nfs/dbraw/zinc/77/16/59/653771659.db2.gz ORQQHRNVXOWABQ-UHFFFAOYSA-N 1 0 397.488 2.025 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000842892063 653772351 /nfs/dbraw/zinc/77/23/51/653772351.db2.gz CQXLGISLZRMYJF-OLZOCXBDSA-N 1 0 386.901 2.137 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc21 ZINC000842892516 653772354 /nfs/dbraw/zinc/77/23/54/653772354.db2.gz FYRSRSKXPWZXJX-UONOGXRCSA-N 1 0 382.913 2.479 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000842894604 653772585 /nfs/dbraw/zinc/77/25/85/653772585.db2.gz UYVILMDIIGWTTI-KGLIPLIRSA-N 1 0 386.901 2.137 20 0 GEADRO COc1cc(S(=O)(=O)NCCCCCC[NH3+])c(OC)cc1Br ZINC000842913774 653773445 /nfs/dbraw/zinc/77/34/45/653773445.db2.gz DOBAFMKVKZHADN-UHFFFAOYSA-N 1 0 395.319 2.264 20 0 GEADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000842917629 653773535 /nfs/dbraw/zinc/77/35/35/653773535.db2.gz QUWRIGPMYAEZBT-LBPRGKRZSA-N 1 0 382.898 2.296 20 0 GEADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1Br)C1CC1 ZINC000865741143 653773602 /nfs/dbraw/zinc/77/36/02/653773602.db2.gz MVBJDGKNDCSPMN-ZIAGYGMSSA-N 1 0 388.331 2.327 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NCCCCCC[NH3+])ccc1Br ZINC000842920995 653773964 /nfs/dbraw/zinc/77/39/64/653773964.db2.gz VJYAQGNLAUPSKX-UHFFFAOYSA-N 1 0 377.304 2.449 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)s1 ZINC000865766554 653774162 /nfs/dbraw/zinc/77/41/62/653774162.db2.gz OFWIQKYESJFLHB-NNUKFRKNSA-N 1 0 385.532 2.246 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC000865767024 653774224 /nfs/dbraw/zinc/77/42/24/653774224.db2.gz NEDOXPNXEBUPJN-RZDIXWSQSA-N 1 0 379.503 2.185 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000865790157 653774963 /nfs/dbraw/zinc/77/49/63/653774963.db2.gz LIVFSFBLOPUSDY-WBMJQRKESA-N 1 0 384.318 2.473 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2nc(Br)sc2Cl)CC1 ZINC000865791535 653775180 /nfs/dbraw/zinc/77/51/80/653775180.db2.gz CIQZFDMOFRXGRQ-VIFPVBQESA-N 1 0 395.754 2.315 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000820504046 653775743 /nfs/dbraw/zinc/77/57/43/653775743.db2.gz PPEVISHCGIFLHM-QMTHXVAHSA-N 1 0 389.315 2.017 20 0 GEADRO CC(C)(C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)CS(N)(=O)=O ZINC000865813874 653775890 /nfs/dbraw/zinc/77/58/90/653775890.db2.gz LORPFMGQMYLIPR-UHFFFAOYSA-N 1 0 391.940 2.348 20 0 GEADRO CCn1ncc(C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)c1Br ZINC000820521917 653776056 /nfs/dbraw/zinc/77/60/56/653776056.db2.gz XXZFWJPLXCCVSG-CYBMUJFWSA-N 1 0 387.322 2.238 20 0 GEADRO CC(C)(C[NH2+][C@@H]1CCc2cccc(Br)c2C1)CS(N)(=O)=O ZINC000865813886 653776104 /nfs/dbraw/zinc/77/61/04/653776104.db2.gz MERJPHSDJKBEJE-GFCCVEGCSA-N 1 0 375.332 2.211 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000865856929 653777503 /nfs/dbraw/zinc/77/75/03/653777503.db2.gz MDWXASZWPYVREB-CJNGLKHVSA-N 1 0 382.302 2.036 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000843049656 653778027 /nfs/dbraw/zinc/77/80/27/653778027.db2.gz QDRLUXRHTDRUHS-UWVGGRQHSA-N 1 0 379.258 2.178 20 0 GEADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)c1ccccc1Br ZINC000843065159 653778542 /nfs/dbraw/zinc/77/85/42/653778542.db2.gz JVYDFDKSFDNAHE-RDJZCZTQSA-N 1 0 380.286 2.339 20 0 GEADRO C[C@@](O)(C[NH2+]CCN1CCC(O)CC1)c1ccc(Br)cc1Cl ZINC000843075161 653778770 /nfs/dbraw/zinc/77/87/70/653778770.db2.gz FLVYJMDOUGLHOO-MRXNPFEDSA-N 1 0 391.737 2.356 20 0 GEADRO OCCCN1CCC[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000843093679 653778916 /nfs/dbraw/zinc/77/89/16/653778916.db2.gz HASDBPRSBXBNEB-BBRMVZONSA-N 1 0 375.282 2.058 20 0 GEADRO CN(C[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C(=O)OC(C)(C)C ZINC000843094369 653779127 /nfs/dbraw/zinc/77/91/27/653779127.db2.gz QELBTLHDUGEUDG-DOMZBBRYSA-N 1 0 376.856 2.330 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1Br ZINC000865896619 653779161 /nfs/dbraw/zinc/77/91/61/653779161.db2.gz NYVPUOAFGLAVNX-AWEZNQCLSA-N 1 0 398.349 2.079 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC[C@H](O)c1ccc(F)c(Br)c1 ZINC000843099553 653779349 /nfs/dbraw/zinc/77/93/49/653779349.db2.gz ANKNWMBGNKGYKG-CJNGLKHVSA-N 1 0 377.298 2.304 20 0 GEADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843103519 653779507 /nfs/dbraw/zinc/77/95/07/653779507.db2.gz AUMKZQRRAZTYRC-NILFDRSVSA-N 1 0 378.282 2.369 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)Cc1ccccc1Br ZINC000843109117 653779531 /nfs/dbraw/zinc/77/95/31/653779531.db2.gz DLCZEWHVRPPAJK-YVEFUNNKSA-N 1 0 383.261 2.457 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC[C@@](C)(O)c1ccc(Br)cc1F ZINC000843100663 653779534 /nfs/dbraw/zinc/77/95/34/653779534.db2.gz DWOBLDCEVQQKHG-WMLDXEAASA-N 1 0 391.325 2.478 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C2 ZINC000843111188 653779678 /nfs/dbraw/zinc/77/96/78/653779678.db2.gz DSBRMPGUOVEFQA-MAUKXSAKSA-N 1 0 394.313 2.127 20 0 GEADRO C[C@@](O)(C[NH2+][C@@H](CO)CN1CCCCC1)c1ccc(Br)cc1F ZINC000843113216 653779825 /nfs/dbraw/zinc/77/98/25/653779825.db2.gz PFQZKARLSQKEQB-RHSMWYFYSA-N 1 0 389.309 2.232 20 0 GEADRO C[NH+](C)CCCOC1CCN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000820670574 653779892 /nfs/dbraw/zinc/77/98/92/653779892.db2.gz RDQZCERIEWIGTE-UHFFFAOYSA-N 1 0 385.917 2.311 20 0 GEADRO CC(C)[C@H]([NH3+])c1noc(CCn2cnc3ccc(Br)cc3c2=O)n1 ZINC000843153181 653780660 /nfs/dbraw/zinc/78/06/60/653780660.db2.gz MAMDZFHJOYEWNG-AWEZNQCLSA-N 1 0 392.257 2.441 20 0 GEADRO OCc1ccc(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)nc1Br ZINC000865950051 653781206 /nfs/dbraw/zinc/78/12/06/653781206.db2.gz AXCRMTNGVNSYHG-ZIAGYGMSSA-N 1 0 382.302 2.392 20 0 GEADRO [NH3+][C@@H](Cc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1)C1CC1 ZINC000843202729 653781402 /nfs/dbraw/zinc/78/14/02/653781402.db2.gz JHQSQMBFNGOHFJ-LBPRGKRZSA-N 1 0 380.242 2.474 20 0 GEADRO Cc1c(-c2nc(-c3ccc(Br)cn3)no2)nnn1C1CC[NH2+]CC1 ZINC000843212233 653781592 /nfs/dbraw/zinc/78/15/92/653781592.db2.gz PYCSTPPIBSMWLR-UHFFFAOYSA-N 1 0 390.245 2.386 20 0 GEADRO C[NH2+]CCCc1nc(-c2cccn3c(I)cnc23)no1 ZINC000843224405 653781898 /nfs/dbraw/zinc/78/18/98/653781898.db2.gz OGPLWIGWFZWXPP-UHFFFAOYSA-N 1 0 383.193 2.141 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000843266170 653782508 /nfs/dbraw/zinc/78/25/08/653782508.db2.gz KVSJXKYLUKMYSQ-HNNXBMFYSA-N 1 0 397.317 2.143 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)c1ccc2c(c1)S(=O)(=O)N=C2Cl ZINC000865995936 653782798 /nfs/dbraw/zinc/78/27/98/653782798.db2.gz AOVQLSIRXZQDSG-UHFFFAOYSA-N 1 0 385.917 2.169 20 0 GEADRO COc1ncc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000820786843 653783116 /nfs/dbraw/zinc/78/31/16/653783116.db2.gz XLDYSIIENYSGTJ-UHFFFAOYSA-N 1 0 381.523 2.403 20 0 GEADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc(Br)no1 ZINC000866019819 653783603 /nfs/dbraw/zinc/78/36/03/653783603.db2.gz FLDJOAAURCNLPF-UHFFFAOYSA-N 1 0 379.258 2.474 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000866066995 653785072 /nfs/dbraw/zinc/78/50/72/653785072.db2.gz AKITZUGBHJBKMP-HOTGVXAUSA-N 1 0 382.302 2.179 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)CC[C@@H]21 ZINC000882500879 653785125 /nfs/dbraw/zinc/78/51/25/653785125.db2.gz CADHWHVAUDTAKG-KOLCDFICSA-N 1 0 383.823 2.469 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000882502597 653785293 /nfs/dbraw/zinc/78/52/93/653785293.db2.gz JLDFMOISFGQKBL-UHFFFAOYSA-N 1 0 385.917 2.412 20 0 GEADRO COc1ccc(I)c(NC(=O)CO[C@@H]2CCC[NH2+]C2)c1 ZINC000843405837 653786150 /nfs/dbraw/zinc/78/61/50/653786150.db2.gz BSQYUVLXCMLCQR-LLVKDONJSA-N 1 0 390.221 2.007 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000866132457 653786768 /nfs/dbraw/zinc/78/67/68/653786768.db2.gz KUNVCZYSTVNFSH-UHFFFAOYSA-N 1 0 380.290 2.485 20 0 GEADRO CCN(C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1)[C@H](C)CS(=O)(=O)CC ZINC000843439116 653787068 /nfs/dbraw/zinc/78/70/68/653787068.db2.gz ATAWIWLRWLQWSD-OCCSQVGLSA-N 1 0 375.922 2.105 20 0 GEADRO [NH3+]CCCCCCC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000843494255 653788348 /nfs/dbraw/zinc/78/83/48/653788348.db2.gz ZJZJATGPARBPBW-MRXNPFEDSA-N 1 0 382.302 2.358 20 0 GEADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000843493204 653788352 /nfs/dbraw/zinc/78/83/52/653788352.db2.gz USIDMLWXLQSACZ-LLVKDONJSA-N 1 0 386.246 2.335 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000843502816 653788453 /nfs/dbraw/zinc/78/84/53/653788453.db2.gz HBOUBQHWGCILBS-LBPRGKRZSA-N 1 0 376.400 2.385 20 0 GEADRO [NH3+]CCCCCCNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000843509302 653788728 /nfs/dbraw/zinc/78/87/28/653788728.db2.gz HHJQSZIODDCCEU-UHFFFAOYSA-N 1 0 388.281 2.343 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2cc(Br)ccc2C1 ZINC000790290473 653788957 /nfs/dbraw/zinc/78/89/57/653788957.db2.gz MDQIJPGKHBSDSL-SJORKVTESA-N 1 0 394.313 2.380 20 0 GEADRO Brc1nnc2ccc(NCC3CC[NH+](C4CCOCC4)CC3)nn12 ZINC000882577160 653789321 /nfs/dbraw/zinc/78/93/21/653789321.db2.gz DZROHHGJNNCQAY-UHFFFAOYSA-N 1 0 395.305 2.190 20 0 GEADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866387358 653792284 /nfs/dbraw/zinc/79/22/84/653792284.db2.gz RSZSXPBNSHKRFS-UHFFFAOYSA-N 1 0 381.420 2.054 20 0 GEADRO CCOc1cc(C=O)cc(Br)c1OS(=O)(=O)CCC[NH+](C)C ZINC000866392535 653792669 /nfs/dbraw/zinc/79/26/69/653792669.db2.gz CMNFQVAHXRKXFC-UHFFFAOYSA-N 1 0 394.287 2.321 20 0 GEADRO Ic1ccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)s1 ZINC000821220007 653792946 /nfs/dbraw/zinc/79/29/46/653792946.db2.gz LUMCCJJDNBDQPG-SNVBAGLBSA-N 1 0 395.262 2.364 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790531273 653793250 /nfs/dbraw/zinc/79/32/50/653793250.db2.gz ACAIFRKMIIQWHI-UHFFFAOYSA-N 1 0 382.917 2.100 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000866414294 653794033 /nfs/dbraw/zinc/79/40/33/653794033.db2.gz CNUBRBWQSUJQAU-UHFFFAOYSA-N 1 0 398.345 2.485 20 0 GEADRO COC(=O)[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(Br)c1 ZINC000843795061 653794322 /nfs/dbraw/zinc/79/43/22/653794322.db2.gz SUMVNIWKCSEBJK-JDSLSITLSA-N 1 0 383.286 2.294 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2ccc(Br)cc2C1 ZINC000790709287 653796025 /nfs/dbraw/zinc/79/60/25/653796025.db2.gz NUSSOEIAUGWSMF-IRXDYDNUSA-N 1 0 394.313 2.380 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2ccc(Br)cc2C1 ZINC000790709285 653796111 /nfs/dbraw/zinc/79/61/11/653796111.db2.gz NUSSOEIAUGWSMF-IAGOWNOFSA-N 1 0 394.313 2.380 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cnn(C(C)C)c1Br ZINC000866455364 653796430 /nfs/dbraw/zinc/79/64/30/653796430.db2.gz YJFQVZIODUVODQ-LBPRGKRZSA-N 1 0 375.311 2.313 20 0 GEADRO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1Br ZINC000844050960 653800107 /nfs/dbraw/zinc/80/01/07/653800107.db2.gz OOJQYHFZSRRILO-HIFRSBDPSA-N 1 0 377.286 2.258 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)cc1Br ZINC000866519738 653800303 /nfs/dbraw/zinc/80/03/03/653800303.db2.gz VENAWLICZBRTLR-ZBEGNZNMSA-N 1 0 385.258 2.330 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)c(Br)c1 ZINC000866525556 653800745 /nfs/dbraw/zinc/80/07/45/653800745.db2.gz SAMXVNITJZMOCV-BZNIZROVSA-N 1 0 385.258 2.330 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1Cc3cc(Br)ccc3O1)CCO2 ZINC000844093878 653801226 /nfs/dbraw/zinc/80/12/26/653801226.db2.gz JSIBRUKMTAETMT-INIZCTEOSA-N 1 0 395.297 2.076 20 0 GEADRO C[NH+]1CCC(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000882735133 653801291 /nfs/dbraw/zinc/80/12/91/653801291.db2.gz WHPHVEBEUAVGNX-HNNXBMFYSA-N 1 0 380.286 2.160 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000790967002 653801871 /nfs/dbraw/zinc/80/18/71/653801871.db2.gz AUCWTZHURUUNCC-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO CC(C)(C[NH2+][C@H]1CCc2c1c(Br)ccc2F)CS(N)(=O)=O ZINC000866569981 653802697 /nfs/dbraw/zinc/80/26/97/653802697.db2.gz GESYXLLXRUQCOT-LBPRGKRZSA-N 1 0 379.295 2.480 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844166153 653802836 /nfs/dbraw/zinc/80/28/36/653802836.db2.gz RLEUDUOJNHKLFK-UHFFFAOYSA-N 1 0 380.539 2.372 20 0 GEADRO Nc1nc(N2CCC[C@H](OC(=O)c3cncc(Br)c3)C2)cc[nH+]1 ZINC000791106665 653803527 /nfs/dbraw/zinc/80/35/27/653803527.db2.gz JQLBNQJYUNBTBN-LBPRGKRZSA-N 1 0 378.230 2.042 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866582887 653803994 /nfs/dbraw/zinc/80/39/94/653803994.db2.gz NXPBDMVUMASGFQ-LLVKDONJSA-N 1 0 382.452 2.228 20 0 GEADRO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844278348 653804410 /nfs/dbraw/zinc/80/44/10/653804410.db2.gz OVDZODUZJZABNK-UONOGXRCSA-N 1 0 386.279 2.428 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882768580 653805882 /nfs/dbraw/zinc/80/58/82/653805882.db2.gz JZYCIAOFBXGCJM-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000866629515 653806849 /nfs/dbraw/zinc/80/68/49/653806849.db2.gz HVXNKRPVVZYXBC-ZWKOPEQDSA-N 1 0 375.254 2.318 20 0 GEADRO CCO[C@H]1C[C@H]([NH2+]Cc2c(I)cnn2C)C12CCC2 ZINC000866629582 653806870 /nfs/dbraw/zinc/80/68/70/653806870.db2.gz IOYHZKYTBPEUOL-STQMWFEESA-N 1 0 375.254 2.462 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000866629215 653806898 /nfs/dbraw/zinc/80/68/98/653806898.db2.gz DOSBDJJLDWIOPV-YUSALJHKSA-N 1 0 395.335 2.494 20 0 GEADRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1c(I)cnn1C)C2 ZINC000866631026 653807126 /nfs/dbraw/zinc/80/71/26/653807126.db2.gz CAJAQCAIEKLOPH-LLVKDONJSA-N 1 0 399.232 2.127 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000821844213 653808930 /nfs/dbraw/zinc/80/89/30/653808930.db2.gz ZGPFEBNQPPZAFS-UHFFFAOYSA-N 1 0 384.311 2.399 20 0 GEADRO Cn1ccnc1N1CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000866666888 653809142 /nfs/dbraw/zinc/80/91/42/653809142.db2.gz YIBOHHQWOPSNFL-UHFFFAOYSA-N 1 0 390.694 2.255 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc(N)nc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000821894955 653811178 /nfs/dbraw/zinc/81/11/78/653811178.db2.gz RENYCOLHTXCULL-NEPJUHHUSA-N 1 0 385.331 2.078 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCN(c2ncncc2-c2ccc(Br)cc2)C1 ZINC000895010376 653812374 /nfs/dbraw/zinc/81/23/74/653812374.db2.gz PYEJSVDGBXRIDL-KRWDZBQOSA-N 1 0 377.286 2.409 20 0 GEADRO C[NH+](C)C[C@]1(O)CCN(c2ncncc2-c2ccc(Br)cc2)C1 ZINC000895010378 653812434 /nfs/dbraw/zinc/81/24/34/653812434.db2.gz PYEJSVDGBXRIDL-QGZVFWFLSA-N 1 0 377.286 2.409 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1cc(S(C)(=O)=O)ncc1Cl)C1CCCCC1 ZINC000821947904 653813066 /nfs/dbraw/zinc/81/30/66/653813066.db2.gz GGGJNONUSLYYNX-HNNXBMFYSA-N 1 0 387.933 2.379 20 0 GEADRO Cc1cccc2nc(CC[NH2+]Cc3c(I)cnn3C)cn21 ZINC000895086900 653816681 /nfs/dbraw/zinc/81/66/81/653816681.db2.gz FTNZZDICMAKSDG-UHFFFAOYSA-N 1 0 395.248 2.313 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000866744801 653818030 /nfs/dbraw/zinc/81/80/30/653818030.db2.gz UMOQAJRIWCCTDV-MNOVXSKESA-N 1 0 386.930 2.497 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000866744805 653818052 /nfs/dbraw/zinc/81/80/52/653818052.db2.gz UMOQAJRIWCCTDV-WDEREUQCSA-N 1 0 386.930 2.497 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000822156683 653819768 /nfs/dbraw/zinc/81/97/68/653819768.db2.gz WBNODPFNCTVQOV-KGLIPLIRSA-N 1 0 376.400 2.337 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1nc(Br)ccc1F ZINC000791652465 653820168 /nfs/dbraw/zinc/82/01/68/653820168.db2.gz CJQSTPIPXIDOHR-RAIGVLPGSA-N 1 0 386.265 2.307 20 0 GEADRO CN1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)CC[N@H+](C)CC1 ZINC000895140895 653820364 /nfs/dbraw/zinc/82/03/64/653820364.db2.gz QNNMOIMEQAUOLD-ARJAWSKDSA-N 1 0 395.345 2.351 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000895152912 653820710 /nfs/dbraw/zinc/82/07/10/653820710.db2.gz IVJSWBSXNVTWCR-UHFFFAOYSA-N 1 0 389.934 2.079 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000866766579 653821805 /nfs/dbraw/zinc/82/18/05/653821805.db2.gz VTZQMFWYWHSMNM-AWEZNQCLSA-N 1 0 389.315 2.019 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000866769901 653822193 /nfs/dbraw/zinc/82/21/93/653822193.db2.gz QOKNWASAZJUGDG-AWEZNQCLSA-N 1 0 391.331 2.265 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000866770851 653822489 /nfs/dbraw/zinc/82/24/89/653822489.db2.gz GYYDWGAUXBDUPS-VXGBXAGGSA-N 1 0 391.331 2.204 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1(Cl)Cl ZINC000866776395 653823935 /nfs/dbraw/zinc/82/39/35/653823935.db2.gz YAFHTIMYMSKHLB-RFQIPJPRSA-N 1 0 385.357 2.261 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000866779547 653824475 /nfs/dbraw/zinc/82/44/75/653824475.db2.gz RIHYIOPIMVVRQH-CYBMUJFWSA-N 1 0 379.320 2.251 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1(Cl)Cl ZINC000866778973 653824484 /nfs/dbraw/zinc/82/44/84/653824484.db2.gz GNDBLXNDMQZNFH-KXUCPTDWSA-N 1 0 383.263 2.359 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)CC[C@H]1C(F)(F)F ZINC000866778647 653824536 /nfs/dbraw/zinc/82/45/36/653824536.db2.gz BEILRSJBAZAIQU-HTQZYQBOSA-N 1 0 375.775 2.022 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC(C)=NO1 ZINC000895300192 653826750 /nfs/dbraw/zinc/82/67/50/653826750.db2.gz JIFCKYNAJUQWRD-SMDDNHRTSA-N 1 0 384.274 2.217 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866795587 653827755 /nfs/dbraw/zinc/82/77/55/653827755.db2.gz ASUDKKCXCUBNIS-UHFFFAOYSA-N 1 0 393.278 2.241 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)c1ccsc1 ZINC000883116424 653828616 /nfs/dbraw/zinc/82/86/16/653828616.db2.gz VSCUAJXGFFTSPU-UWVGGRQHSA-N 1 0 375.363 2.209 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000895338822 653828605 /nfs/dbraw/zinc/82/86/05/653828605.db2.gz VOALELYVCGQNQF-ZDUSSCGKSA-N 1 0 387.933 2.275 20 0 GEADRO [NH3+]CC(F)(F)Cc1nc(COc2ccc(I)cc2)no1 ZINC000844916414 653829264 /nfs/dbraw/zinc/82/92/64/653829264.db2.gz DZBYTSSBWPTZIR-UHFFFAOYSA-N 1 0 395.147 2.390 20 0 GEADRO COc1cc(Br)c(Cc2noc([C@@H](N)CC[NH+](C)C)n2)cc1OC ZINC000844913643 653829353 /nfs/dbraw/zinc/82/93/53/653829353.db2.gz BPEWTUZEZOTKBA-LBPRGKRZSA-N 1 0 399.289 2.392 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000866804806 653829480 /nfs/dbraw/zinc/82/94/80/653829480.db2.gz SNZUAHUIUDMVLD-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883133651 653829898 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392.315 2.354 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCCc2sccc2Br)CC1 ZINC000883205738 653832467 /nfs/dbraw/zinc/83/24/67/653832467.db2.gz CHCGIQZIEHUJSC-UHFFFAOYSA-N 1 0 390.347 2.463 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866821842 653832703 /nfs/dbraw/zinc/83/27/03/653832703.db2.gz BBTSNCDRHPMEFC-ZIAGYGMSSA-N 1 0 389.315 2.114 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866822765 653832977 /nfs/dbraw/zinc/83/29/77/653832977.db2.gz IANRKHLRJMNCCB-RYUDHWBXSA-N 1 0 393.278 2.112 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866822767 653833139 /nfs/dbraw/zinc/83/31/39/653833139.db2.gz IANRKHLRJMNCCB-VXGBXAGGSA-N 1 0 393.278 2.112 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000883253946 653833202 /nfs/dbraw/zinc/83/32/02/653833202.db2.gz GDQCXWTWKYGXOE-ZDUSSCGKSA-N 1 0 383.290 2.089 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000883252536 653833263 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GEADRO O=C(NCCC[NH+]1CCCCCC1)c1c[nH]nc1I ZINC000895460518 653836605 /nfs/dbraw/zinc/83/66/05/653836605.db2.gz HLWWDCJBTUJMCD-UHFFFAOYSA-N 1 0 376.242 2.010 20 0 GEADRO CN(CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21)CCOCCO ZINC000883351100 653836697 /nfs/dbraw/zinc/83/66/97/653836697.db2.gz XDDLUQYHVLAYCZ-MRXNPFEDSA-N 1 0 387.318 2.193 20 0 GEADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000883379259 653838028 /nfs/dbraw/zinc/83/80/28/653838028.db2.gz VAOHPMCAXPPKLE-CTYIDZIISA-N 1 0 384.299 2.300 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000895490784 653838066 /nfs/dbraw/zinc/83/80/66/653838066.db2.gz SGHQBVASHSNGLS-UHFFFAOYSA-N 1 0 390.269 2.175 20 0 GEADRO O=S(=O)(c1nc[nH]c1Br)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000866853898 653838279 /nfs/dbraw/zinc/83/82/79/653838279.db2.gz JMFTUNDPSAWPJB-UHFFFAOYSA-N 1 0 399.314 2.463 20 0 GEADRO COC(=O)CCN(Cc1cccc(Br)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000792328258 653840099 /nfs/dbraw/zinc/84/00/99/653840099.db2.gz UNGHYINXCBBKKR-QGZVFWFLSA-N 1 0 399.329 2.271 20 0 GEADRO Cc1c(Br)cncc1CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000895552258 653840539 /nfs/dbraw/zinc/84/05/39/653840539.db2.gz MGMBQLWXTRBLOL-UHFFFAOYSA-N 1 0 395.345 2.458 20 0 GEADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000883466011 653840741 /nfs/dbraw/zinc/84/07/41/653840741.db2.gz DDYFVRFZUDHASQ-BXKDBHETSA-N 1 0 397.722 2.148 20 0 GEADRO C[C@H]1CN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCN1c1cc[nH+]cc1 ZINC000895555768 653840637 /nfs/dbraw/zinc/84/06/37/653840637.db2.gz CPTYBDYMZOAPSS-ZDUSSCGKSA-N 1 0 380.901 2.093 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)/C=C3/SCC(=O)N3C)C2)s1 ZINC000822793998 653840824 /nfs/dbraw/zinc/84/08/24/653840824.db2.gz HHVXTLGQWZTKRM-GHIJENOOSA-N 1 0 379.551 2.383 20 0 GEADRO NS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1C(F)(F)F ZINC000895572956 653841174 /nfs/dbraw/zinc/84/11/74/653841174.db2.gz WUWGQXCSQLVVDX-STQMWFEESA-N 1 0 395.472 2.345 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(NCc2ncc(Br)cc2O)cc1 ZINC000895575264 653841285 /nfs/dbraw/zinc/84/12/85/653841285.db2.gz PFFMKSZGULVFTF-UHFFFAOYSA-N 1 0 393.285 2.453 20 0 GEADRO CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)cc1 ZINC000883472093 653841247 /nfs/dbraw/zinc/84/12/47/653841247.db2.gz NIQVSDIBDDLCRA-UHFFFAOYSA-N 1 0 381.420 2.183 20 0 GEADRO Cc1cc(Br)sc1S(=O)(=O)N(CC[NH3+])CC(F)(F)F ZINC000883471588 653841251 /nfs/dbraw/zinc/84/12/51/653841251.db2.gz RLHUMMSRCWHFEY-UHFFFAOYSA-N 1 0 381.239 2.331 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000883474394 653841563 /nfs/dbraw/zinc/84/15/63/653841563.db2.gz NMMHBHPTTBRPLR-LLVKDONJSA-N 1 0 395.294 2.359 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1Br ZINC000883473622 653841730 /nfs/dbraw/zinc/84/17/30/653841730.db2.gz GQFVGCPTLIHACU-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(CC(F)(F)F)cc1)C2 ZINC000883480799 653842310 /nfs/dbraw/zinc/84/23/10/653842310.db2.gz NAAPYTNZSJQXTR-UHFFFAOYSA-N 1 0 391.440 2.454 20 0 GEADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NCCC(C)(C)[NH3+])c1 ZINC000883480208 653842375 /nfs/dbraw/zinc/84/23/75/653842375.db2.gz VJLCQVCWJNTNCG-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895602595 653843153 /nfs/dbraw/zinc/84/31/53/653843153.db2.gz KKEBEKZPPKNTJF-IAGOWNOFSA-N 1 0 396.329 2.498 20 0 GEADRO O[C@@H]1CCN(CC[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC000895636781 653844180 /nfs/dbraw/zinc/84/41/80/653844180.db2.gz MRZBSUULDVGCCY-GFCCVEGCSA-N 1 0 378.108 2.368 20 0 GEADRO COc1cc(Br)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000822879814 653844503 /nfs/dbraw/zinc/84/45/03/653844503.db2.gz WYLFSWOCZGFNJT-NEPJUHHUSA-N 1 0 399.285 2.059 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C1 ZINC000866891715 653844741 /nfs/dbraw/zinc/84/47/41/653844741.db2.gz ALNZWBWUACTWOA-BSEYFRJRSA-N 1 0 391.534 2.191 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000883540926 653845179 /nfs/dbraw/zinc/84/51/79/653845179.db2.gz QZFLUUQZDYAHGH-VXGBXAGGSA-N 1 0 375.382 2.212 20 0 GEADRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)Nc2ccncc2Br)c1 ZINC000883550505 653845429 /nfs/dbraw/zinc/84/54/29/653845429.db2.gz ROIODYOJFVOMSW-MRXNPFEDSA-N 1 0 391.269 2.453 20 0 GEADRO O[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)C(F)(F)C(F)(F)F ZINC000895679405 653845590 /nfs/dbraw/zinc/84/55/90/653845590.db2.gz ZYNOHENZVZWSIN-QMMMGPOBSA-N 1 0 389.122 2.140 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883567360 653846119 /nfs/dbraw/zinc/84/61/19/653846119.db2.gz WWCHISAXQCNAKX-YVSFHVDLSA-N 1 0 385.599 2.309 20 0 GEADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCC(F)(F)Br)cc21 ZINC000822918616 653846147 /nfs/dbraw/zinc/84/61/47/653846147.db2.gz NZYCYBBMWCHGNU-UHFFFAOYSA-N 1 0 391.216 2.021 20 0 GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000883593230 653846771 /nfs/dbraw/zinc/84/67/71/653846771.db2.gz DXEMBWSKCLEBMJ-BLLLJJGKSA-N 1 0 395.257 2.186 20 0 GEADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593535 653847052 /nfs/dbraw/zinc/84/70/52/653847052.db2.gz LMEQJSSHTQODAA-NSHDSACASA-N 1 0 383.246 2.042 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000883615697 653847603 /nfs/dbraw/zinc/84/76/03/653847603.db2.gz PKXOTHFZUPPABB-CQSZACIVSA-N 1 0 380.290 2.299 20 0 GEADRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ncc(Br)cc1O)C(F)(F)F ZINC000895718242 653847819 /nfs/dbraw/zinc/84/78/19/653847819.db2.gz LFMXLGZTMACPBK-VSQXVHSFSA-N 1 0 385.180 2.483 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000845436534 653847928 /nfs/dbraw/zinc/84/79/28/653847928.db2.gz CXDDGAMQJKZJDH-UHFFFAOYSA-N 1 0 379.313 2.076 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1cscc1Br)[C@@H]1CC[NH2+]C1 ZINC000883639504 653848704 /nfs/dbraw/zinc/84/87/04/653848704.db2.gz QWEXNKIXCJKDFV-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N(C)Cc2cscc2Br)CC[C@@H]1[NH3+] ZINC000883638509 653848734 /nfs/dbraw/zinc/84/87/34/653848734.db2.gz OLINUXBLFVODRM-MFKMUULPSA-N 1 0 388.331 2.055 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000883644034 653849171 /nfs/dbraw/zinc/84/91/71/653849171.db2.gz AQKSIJSQIUGJSW-OAHLLOKOSA-N 1 0 382.302 2.008 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cscc2Br)C1 ZINC000883640047 653849179 /nfs/dbraw/zinc/84/91/79/653849179.db2.gz FOMPZWFFQAWHLQ-QWRGUYRKSA-N 1 0 388.331 2.055 20 0 GEADRO CC(C)[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000822991574 653849297 /nfs/dbraw/zinc/84/92/97/653849297.db2.gz QHADDZALRGSRBB-IUODEOHRSA-N 1 0 388.343 2.381 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000883645653 653849494 /nfs/dbraw/zinc/84/94/94/653849494.db2.gz ROLYCNPNSUIURQ-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO COc1cc(CNc2cc[nH+]c(C)c2Br)ccc1OCC(N)=O ZINC000792690792 653849596 /nfs/dbraw/zinc/84/95/96/653849596.db2.gz HKIRPZZCXIZDBT-UHFFFAOYSA-N 1 0 380.242 2.059 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000895772838 653849647 /nfs/dbraw/zinc/84/96/47/653849647.db2.gz VQZLFDLFCHBWDJ-XHDPSFHLSA-N 1 0 385.277 2.404 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000895768659 653849757 /nfs/dbraw/zinc/84/97/57/653849757.db2.gz JFZHIVQRPHDEMO-XJKSGUPXSA-N 1 0 379.298 2.191 20 0 GEADRO Cn1cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)c(Br)n1 ZINC000866925006 653850430 /nfs/dbraw/zinc/85/04/30/653850430.db2.gz FVVMLSDMOQYWJY-UHFFFAOYSA-N 1 0 393.351 2.068 20 0 GEADRO O=C(NCc1ncc(Br)cn1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000895805128 653850894 /nfs/dbraw/zinc/85/08/94/653850894.db2.gz PNNORVKDEGKLQB-ZDUSSCGKSA-N 1 0 382.306 2.445 20 0 GEADRO CCn1ncc(C(=O)N(CCCOC)C2CC[NH+](C)CC2)c1Br ZINC000823030389 653850955 /nfs/dbraw/zinc/85/09/55/653850955.db2.gz WKKRFBHLVNYWLR-UHFFFAOYSA-N 1 0 387.322 2.238 20 0 GEADRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866932481 653851450 /nfs/dbraw/zinc/85/14/50/653851450.db2.gz UJNBKDNKAHJCNN-UHFFFAOYSA-N 1 0 393.351 2.209 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000895840175 653852464 /nfs/dbraw/zinc/85/24/64/653852464.db2.gz DCPDSGQWCCJJPO-UHFFFAOYSA-N 1 0 393.456 2.488 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1I ZINC000895856351 653852813 /nfs/dbraw/zinc/85/28/13/653852813.db2.gz XRXSGLKDAIANJE-AXFHLTTASA-N 1 0 390.269 2.111 20 0 GEADRO Ic1cnc2c(-c3noc([C@@H]4CCC[NH2+]C4)n3)cccn12 ZINC000823115834 653854015 /nfs/dbraw/zinc/85/40/15/653854015.db2.gz NKNZEEAMJHEYCZ-SECBINFHSA-N 1 0 395.204 2.456 20 0 GEADRO C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000823115835 653854155 /nfs/dbraw/zinc/85/41/55/653854155.db2.gz NMGKDOHRYFCUAA-PSASIEDQSA-N 1 0 395.204 2.454 20 0 GEADRO C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000823115836 653854179 /nfs/dbraw/zinc/85/41/79/653854179.db2.gz NMGKDOHRYFCUAA-SCZZXKLOSA-N 1 0 395.204 2.454 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000895875346 653854381 /nfs/dbraw/zinc/85/43/81/653854381.db2.gz MFUDXERMFYQIKI-SJORKVTESA-N 1 0 395.297 2.070 20 0 GEADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)c2ccccc2O1 ZINC000866962648 653856419 /nfs/dbraw/zinc/85/64/19/653856419.db2.gz PVCPYXRKZLOLOI-NSHDSACASA-N 1 0 385.848 2.392 20 0 GEADRO C[C@@H](C[NH+]1CCCC1)OC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000845666285 653857690 /nfs/dbraw/zinc/85/76/90/653857690.db2.gz DUIPXOOJXQKWQQ-LBPRGKRZSA-N 1 0 397.269 2.202 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc4nc(Cl)ncc4s3)CC[C@H]21 ZINC000866972016 653858245 /nfs/dbraw/zinc/85/82/45/653858245.db2.gz LTNNHVUXIQYUTJ-ZYHUDNBSSA-N 1 0 386.930 2.450 20 0 GEADRO O=C(NCCc1sccc1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000883952493 653858398 /nfs/dbraw/zinc/85/83/98/653858398.db2.gz LKKYGJDOGKGJIR-GFCCVEGCSA-N 1 0 390.347 2.199 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)nc1Br ZINC000792982113 653859065 /nfs/dbraw/zinc/85/90/65/653859065.db2.gz CILIQVFHGSHEHB-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@H](CNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000792989003 653859530 /nfs/dbraw/zinc/85/95/30/653859530.db2.gz YPYMIQYWSJEOBJ-DOMZBBRYSA-N 1 0 397.317 2.149 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000895983424 653859583 /nfs/dbraw/zinc/85/95/83/653859583.db2.gz NJFAGNNNPZRUNB-KGLIPLIRSA-N 1 0 383.290 2.231 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000884015905 653860473 /nfs/dbraw/zinc/86/04/73/653860473.db2.gz HHTYXQMIMLIFHA-HNNXBMFYSA-N 1 0 384.571 2.016 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2csc(C(F)(F)F)n2)CC1 ZINC000896000700 653860460 /nfs/dbraw/zinc/86/04/60/653860460.db2.gz YFXLQLIZDLQHMU-UHFFFAOYSA-N 1 0 376.448 2.468 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)nc1Br ZINC000793001867 653860799 /nfs/dbraw/zinc/86/07/99/653860799.db2.gz PVHLNHKPIVXSEB-NEPJUHHUSA-N 1 0 383.290 2.080 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000884053132 653861311 /nfs/dbraw/zinc/86/13/11/653861311.db2.gz MMYPEOBSZQOTGN-ZDUSSCGKSA-N 1 0 385.917 2.309 20 0 GEADRO Cc1ncc2c(n1)CC[C@@H](NC(=O)[C@H]([NH3+])c1ccc(Br)cc1)C2 ZINC000884067485 653861990 /nfs/dbraw/zinc/86/19/90/653861990.db2.gz IRGVUCFYXPPIPK-GDBMZVCRSA-N 1 0 375.270 2.221 20 0 GEADRO Fc1ccc(-n2cc(Br)c(-c3nc(N4CC[NH2+]CC4)no3)n2)cc1 ZINC000823310511 653861975 /nfs/dbraw/zinc/86/19/75/653861975.db2.gz XWSLCBMLLGCTFR-UHFFFAOYSA-N 1 0 393.220 2.234 20 0 GEADRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000884085446 653862802 /nfs/dbraw/zinc/86/28/02/653862802.db2.gz VNHXJYJUKOKJPC-HNNXBMFYSA-N 1 0 387.571 2.027 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)nc1Br ZINC000793045834 653863934 /nfs/dbraw/zinc/86/39/34/653863934.db2.gz DLIPYRFCXOSYKB-NEPJUHHUSA-N 1 0 383.290 2.032 20 0 GEADRO C[C@@H]1[C@H](COC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC[N@@H+]1C ZINC000845814253 653864190 /nfs/dbraw/zinc/86/41/90/653864190.db2.gz LOKGKRACZGABSH-QLFBSQMISA-N 1 0 386.539 2.175 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884114145 653864327 /nfs/dbraw/zinc/86/43/27/653864327.db2.gz JTLCFKHMTWTSPJ-CYBMUJFWSA-N 1 0 382.302 2.448 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000884130651 653865282 /nfs/dbraw/zinc/86/52/82/653865282.db2.gz PLLQEHITRSLVPS-ZBFHGGJFSA-N 1 0 380.286 2.062 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000884130650 653865346 /nfs/dbraw/zinc/86/53/46/653865346.db2.gz PLLQEHITRSLVPS-HOCLYGCPSA-N 1 0 380.286 2.062 20 0 GEADRO CS[C@@H]1CN(C(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000845893130 653868604 /nfs/dbraw/zinc/86/86/04/653868604.db2.gz OZVWSSFSDNNEOG-NWDGAFQWSA-N 1 0 381.489 2.041 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C[C@@H]21 ZINC000884247808 653869339 /nfs/dbraw/zinc/86/93/39/653869339.db2.gz FPLDGRRXXFUFQE-MSQAHXEGSA-N 1 0 393.281 2.116 20 0 GEADRO COCC1(CNC(=O)Cc2sc(CC(F)(F)F)nc2C)CC[NH2+]CC1 ZINC000884283524 653870276 /nfs/dbraw/zinc/87/02/76/653870276.db2.gz LYFIUASQANREGF-UHFFFAOYSA-N 1 0 379.448 2.231 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884288490 653871053 /nfs/dbraw/zinc/87/10/53/653871053.db2.gz GIGSDZHMAQDJTO-WPRPVWTQSA-N 1 0 384.665 2.245 20 0 GEADRO CCOC(=O)N1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884309297 653871553 /nfs/dbraw/zinc/87/15/53/653871553.db2.gz RULGMKIWFNLNIH-AWEZNQCLSA-N 1 0 384.274 2.140 20 0 GEADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@@H]2C[C@@]2(C)Br)cc1 ZINC000896276133 653872095 /nfs/dbraw/zinc/87/20/95/653872095.db2.gz LNWKIKGLWYPOIC-LSDHHAIUSA-N 1 0 375.332 2.341 20 0 GEADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ncc(Br)cc1Br ZINC000884360284 653874152 /nfs/dbraw/zinc/87/41/52/653874152.db2.gz XUDAWPVAIZKLMT-IUCAKERBSA-N 1 0 377.080 2.462 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000884369870 653874421 /nfs/dbraw/zinc/87/44/21/653874421.db2.gz RXJWLDYAXKLUBS-ARFHVFGLSA-N 1 0 395.297 2.292 20 0 GEADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000823628967 653874782 /nfs/dbraw/zinc/87/47/82/653874782.db2.gz AIQRGQPTCVJQBA-QZTJIDSGSA-N 1 0 380.897 2.338 20 0 GEADRO C[C@@](O)(C(=O)N[C@@H]1CCn2cncc2C1)c1ccc(F)c(Br)c1 ZINC000823635379 653875041 /nfs/dbraw/zinc/87/50/41/653875041.db2.gz XXYSRHQQQBNSQV-BZNIZROVSA-N 1 0 382.233 2.123 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(Br)cc1 ZINC000884407022 653875792 /nfs/dbraw/zinc/87/57/92/653875792.db2.gz PCQUGTXENOAVFU-DYEKYZERSA-N 1 0 375.213 2.379 20 0 GEADRO C[C@H](NS(=O)(=O)c1nc[nH]c1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000867077408 653875949 /nfs/dbraw/zinc/87/59/49/653875949.db2.gz QJRUIRJHFRCFIF-QWRGUYRKSA-N 1 0 391.335 2.104 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@@H]1CCCN1CC(F)F)c1ccc(Br)cc1 ZINC000884431938 653876505 /nfs/dbraw/zinc/87/65/05/653876505.db2.gz NFONKGQEIBSMHF-GXTWGEPZSA-N 1 0 376.245 2.295 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884454833 653877191 /nfs/dbraw/zinc/87/71/91/653877191.db2.gz WVOKKBWESVFASA-ZDUSSCGKSA-N 1 0 377.242 2.115 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884461177 653877478 /nfs/dbraw/zinc/87/74/78/653877478.db2.gz WTNYWKHHYDSATD-TVIZTDCDSA-N 1 0 379.254 2.013 20 0 GEADRO CC1(C)[C@@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C[C@@H]1Oc1ccccc1 ZINC000793528176 653879601 /nfs/dbraw/zinc/87/96/01/653879601.db2.gz SERBXSYDRVHITJ-IRXDYDNUSA-N 1 0 384.567 2.201 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000884515660 653879649 /nfs/dbraw/zinc/87/96/49/653879649.db2.gz PCEOFTGUKVCVDC-OAHLLOKOSA-N 1 0 396.329 2.002 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000846021207 653881453 /nfs/dbraw/zinc/88/14/53/653881453.db2.gz BFROYLTVGXWOKM-ZDUSSCGKSA-N 1 0 397.372 2.314 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)[C@H]1C[N@H+](C)CCN1C ZINC000896532176 653882562 /nfs/dbraw/zinc/88/25/62/653882562.db2.gz AIOKOTIUXJYUTH-JCURWCKSSA-N 1 0 380.330 2.229 20 0 GEADRO CS(=O)(=O)C[C@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000793697608 653882817 /nfs/dbraw/zinc/88/28/17/653882817.db2.gz LLNNYTWQJDWRLV-LBPRGKRZSA-N 1 0 399.310 2.088 20 0 GEADRO CN(C(=O)C(=O)NCc1cc(Br)cs1)C1(C[NH3+])CCCCC1 ZINC000884652824 653883204 /nfs/dbraw/zinc/88/32/04/653883204.db2.gz HOVRSSLOVONXHX-UHFFFAOYSA-N 1 0 388.331 2.247 20 0 GEADRO CC[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)c1cc(F)cc(Br)c1 ZINC000884660464 653883503 /nfs/dbraw/zinc/88/35/03/653883503.db2.gz TXCQILXSARMVBH-IIMNLJJBSA-N 1 0 386.265 2.104 20 0 GEADRO C[C@@H](NC(=O)CCc1cccc(F)c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896540194 653883692 /nfs/dbraw/zinc/88/36/92/653883692.db2.gz VOMOAERWNDQEOT-DOMZBBRYSA-N 1 0 386.309 2.271 20 0 GEADRO O=C(NCc1ccc2ccc(Br)cc2c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884687906 653884249 /nfs/dbraw/zinc/88/42/49/653884249.db2.gz MSAQFOIGHGASRH-MRXNPFEDSA-N 1 0 390.281 2.087 20 0 GEADRO C[C@H](NC(=O)C1(c2ccccc2Br)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896545759 653884362 /nfs/dbraw/zinc/88/43/62/653884362.db2.gz PYCZJWFQTNGOGX-BBRMVZONSA-N 1 0 380.330 2.231 20 0 GEADRO Cc1ccc(CCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000896546956 653884378 /nfs/dbraw/zinc/88/43/78/653884378.db2.gz AUQYBGFNFVWRIR-PBHICJAKSA-N 1 0 382.346 2.441 20 0 GEADRO C[C@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)[C@H]1C[N@H+](C)CCN1C ZINC000896551011 653884670 /nfs/dbraw/zinc/88/46/70/653884670.db2.gz BVZJHSYDNAEWMU-BLLLJJGKSA-N 1 0 393.329 2.223 20 0 GEADRO C[C@H](NC(=O)c1cc(F)c(F)cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896552622 653884976 /nfs/dbraw/zinc/88/49/76/653884976.db2.gz MXPKQNYHLSSKDP-LKFCYVNXSA-N 1 0 376.245 2.091 20 0 GEADRO C[C@H](NC(=O)c1cc(Br)cc2cccnc21)[C@@H]1C[N@H+](C)CCN1C ZINC000896554966 653885027 /nfs/dbraw/zinc/88/50/27/653885027.db2.gz XXESNXSVLVIHTJ-LRDDRELGSA-N 1 0 391.313 2.361 20 0 GEADRO Cc1cc(CCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896553446 653885050 /nfs/dbraw/zinc/88/50/50/653885050.db2.gz ASJLSHVIGXGFKR-RHSMWYFYSA-N 1 0 382.346 2.441 20 0 GEADRO C[C@H](NC(=O)c1c[nH]c2cccc(Br)c12)[C@H]1C[N@H+](C)CCN1C ZINC000896552468 653885084 /nfs/dbraw/zinc/88/50/84/653885084.db2.gz MLJDLNRWKSMOGA-XHDPSFHLSA-N 1 0 379.302 2.295 20 0 GEADRO C[C@@H](NC(=O)c1c[nH]c2cccc(Br)c12)[C@H]1C[N@H+](C)CCN1C ZINC000896552466 653885119 /nfs/dbraw/zinc/88/51/19/653885119.db2.gz MLJDLNRWKSMOGA-IAQYHMDHSA-N 1 0 379.302 2.295 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000793814898 653885704 /nfs/dbraw/zinc/88/57/04/653885704.db2.gz BOESQYXIVJEQAR-PMPSAXMXSA-N 1 0 387.615 2.111 20 0 GEADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000846180415 653889797 /nfs/dbraw/zinc/88/97/97/653889797.db2.gz RAYRITMTRIQSRO-LLVKDONJSA-N 1 0 382.251 2.296 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884790820 653889763 /nfs/dbraw/zinc/88/97/63/653889763.db2.gz BFCVFQSSDYOAAN-CYBMUJFWSA-N 1 0 379.810 2.465 20 0 GEADRO O=C(NCCC[C@H]1CC1(Cl)Cl)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000846180417 653889813 /nfs/dbraw/zinc/88/98/13/653889813.db2.gz RAYRITMTRIQSRO-NSHDSACASA-N 1 0 382.251 2.296 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000884783494 653889830 /nfs/dbraw/zinc/88/98/30/653889830.db2.gz YQRCWMKJQQKRQX-NXEZZACHSA-N 1 0 398.212 2.205 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@@H]2c3cccc(Br)c3NC2=O)C1 ZINC000824270187 653890118 /nfs/dbraw/zinc/89/01/18/653890118.db2.gz JKEUSYXKQICFHC-NTZNESFSSA-N 1 0 380.286 2.331 20 0 GEADRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000846214661 653891429 /nfs/dbraw/zinc/89/14/29/653891429.db2.gz VAUMRWJNIRHWGV-ZDUSSCGKSA-N 1 0 386.539 2.396 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000846205476 653891463 /nfs/dbraw/zinc/89/14/63/653891463.db2.gz QAHKBZALXNUEFV-UHFFFAOYSA-N 1 0 383.290 2.035 20 0 GEADRO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000846228159 653891795 /nfs/dbraw/zinc/89/17/95/653891795.db2.gz JFAWGWZYSVSBNW-ZETCQYMHSA-N 1 0 375.260 2.095 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1F ZINC000884955885 653897727 /nfs/dbraw/zinc/89/77/27/653897727.db2.gz WMGUNCKUEQPECC-QWRGUYRKSA-N 1 0 377.279 2.493 20 0 GEADRO Cc1ncc([C@@H](C)NC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)s1 ZINC000884961430 653898505 /nfs/dbraw/zinc/89/85/05/653898505.db2.gz MCGHFOOFEPUACN-LLVKDONJSA-N 1 0 380.901 2.270 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000884976980 653902505 /nfs/dbraw/zinc/90/25/05/653902505.db2.gz GAMCUEPEGWSHCL-UHFFFAOYSA-N 1 0 377.794 2.315 20 0 GEADRO Cc1c(Br)cc(-c2noc(CC3CC[NH+](C)CC3)n2)c(=O)n1C ZINC000896996638 653902610 /nfs/dbraw/zinc/90/26/10/653902610.db2.gz PPVOZYIKLRNHKN-UHFFFAOYSA-N 1 0 381.274 2.391 20 0 GEADRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000884990970 653903620 /nfs/dbraw/zinc/90/36/20/653903620.db2.gz ONOUXYMLPBCYDZ-TZMCWYRMSA-N 1 0 385.555 2.458 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000824651115 653904355 /nfs/dbraw/zinc/90/43/55/653904355.db2.gz ATRGNEIJFLKNNK-LLVKDONJSA-N 1 0 380.290 2.342 20 0 GEADRO Cc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)nc1Br ZINC000794356157 653904857 /nfs/dbraw/zinc/90/48/57/653904857.db2.gz SDHDRULUWUAUJR-CYBMUJFWSA-N 1 0 384.322 2.300 20 0 GEADRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000897059243 653905324 /nfs/dbraw/zinc/90/53/24/653905324.db2.gz BCEHGDKYVZMGMW-NSHDSACASA-N 1 0 384.299 2.108 20 0 GEADRO NS(=O)(=O)C[C@@H]1CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000897058723 653905397 /nfs/dbraw/zinc/90/53/97/653905397.db2.gz RFWQSAXAEAMZAA-SNVBAGLBSA-N 1 0 377.293 2.380 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(-c3ccccc3Br)nn1)C2 ZINC000846690089 653906149 /nfs/dbraw/zinc/90/61/49/653906149.db2.gz ZAOIOPCPMJXNPC-SJCJKPOMSA-N 1 0 390.285 2.231 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846670956 653906176 /nfs/dbraw/zinc/90/61/76/653906176.db2.gz VWAYMKXOVCWPOQ-SNVBAGLBSA-N 1 0 380.388 2.317 20 0 GEADRO C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H]1CC[NH3+] ZINC000846696160 653906645 /nfs/dbraw/zinc/90/66/45/653906645.db2.gz XUGKLSJKKMYCTH-BLLLJJGKSA-N 1 0 387.933 2.180 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)C1 ZINC000846726801 653907934 /nfs/dbraw/zinc/90/79/34/653907934.db2.gz ISAYMZXHIALANJ-JEBQAFNWSA-N 1 0 375.916 2.434 20 0 GEADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1ccns1 ZINC000885051174 653909367 /nfs/dbraw/zinc/90/93/67/653909367.db2.gz RVBMKGVSKLTSPV-UHFFFAOYSA-N 1 0 385.486 2.104 20 0 GEADRO Cc1cc(C[NH2+]CCS(=O)(=O)C2CCOCC2)ccc1Br ZINC000824897054 653911290 /nfs/dbraw/zinc/91/12/90/653911290.db2.gz LOAZVSBBJQPWMZ-UHFFFAOYSA-N 1 0 376.316 2.441 20 0 GEADRO Brc1c(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)nc2ccccn21 ZINC000897228938 653911949 /nfs/dbraw/zinc/91/19/49/653911949.db2.gz QNUNYVLYAMKBIS-AWEZNQCLSA-N 1 0 379.302 2.440 20 0 GEADRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)C2CCOCC2)C1 ZINC000824904159 653912264 /nfs/dbraw/zinc/91/22/64/653912264.db2.gz VBVRPDCRCPRRCE-HOTGVXAUSA-N 1 0 375.531 2.072 20 0 GEADRO O=c1oc2cccc(Br)c2n1CN1CC[NH+](C2CCOCC2)CC1 ZINC000794636976 653914796 /nfs/dbraw/zinc/91/47/96/653914796.db2.gz MXCJFPKCKIRLHM-UHFFFAOYSA-N 1 0 396.285 2.111 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cn1c(=O)oc2cccc(Br)c21 ZINC000794641641 653915114 /nfs/dbraw/zinc/91/51/14/653915114.db2.gz GCRRUHHYQPGBFE-GFCCVEGCSA-N 1 0 398.301 2.092 20 0 GEADRO C[C@@H]1[C@H](C(F)(F)F)CCN1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000794653827 653915653 /nfs/dbraw/zinc/91/56/53/653915653.db2.gz BAMWDEJTLXOVIW-MWLCHTKSSA-N 1 0 375.372 2.269 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3nnn(C)c3C2)c(Br)c1 ZINC000897347795 653917357 /nfs/dbraw/zinc/91/73/57/653917357.db2.gz UDHQZQVUTYIITH-LBPRGKRZSA-N 1 0 379.258 2.011 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000825181956 653919637 /nfs/dbraw/zinc/91/96/37/653919637.db2.gz WUZPQEWSACMSTR-UHFFFAOYSA-N 1 0 377.286 2.328 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000825187631 653920036 /nfs/dbraw/zinc/92/00/36/653920036.db2.gz BLMIAYBYOQSDRQ-CHWSQXEVSA-N 1 0 387.933 2.228 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000885249592 653920296 /nfs/dbraw/zinc/92/02/96/653920296.db2.gz WOMFMFFFUXDHBQ-WOSRLPQWSA-N 1 0 384.307 2.238 20 0 GEADRO Nc1cc(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)cc(Br)n1 ZINC000825208535 653921088 /nfs/dbraw/zinc/92/10/88/653921088.db2.gz NXBYLFCESTVCFD-UHFFFAOYSA-N 1 0 391.269 2.090 20 0 GEADRO Cc1ccc(I)cc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897425231 653921253 /nfs/dbraw/zinc/92/12/53/653921253.db2.gz ZEJAVDVYMXIOJP-CYBMUJFWSA-N 1 0 386.233 2.259 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)n1 ZINC000847306611 653924294 /nfs/dbraw/zinc/92/42/94/653924294.db2.gz FKSMQKXECGTRPB-UHFFFAOYSA-N 1 0 395.257 2.231 20 0 GEADRO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000825343050 653925625 /nfs/dbraw/zinc/92/56/25/653925625.db2.gz IGZISUSGDGNACH-CQSZACIVSA-N 1 0 382.258 2.183 20 0 GEADRO Cc1cnc(Cl)c(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1 ZINC000885311404 653925781 /nfs/dbraw/zinc/92/57/81/653925781.db2.gz QGYQNFORNRFCMU-AWEZNQCLSA-N 1 0 387.933 2.307 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCCCn1cc(Br)cn1 ZINC000794990457 653926451 /nfs/dbraw/zinc/92/64/51/653926451.db2.gz FUGFJURLLFTMGH-AWEZNQCLSA-N 1 0 388.379 2.374 20 0 GEADRO CO[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1Br ZINC000847409974 653927508 /nfs/dbraw/zinc/92/75/08/653927508.db2.gz XQFVOKFJKJPISW-WWGRRREGSA-N 1 0 383.286 2.116 20 0 GEADRO NS(=O)(=O)c1ccc(C2CC[NH+](Cc3cn4ccnc4s3)CC2)cc1 ZINC000897572200 653928178 /nfs/dbraw/zinc/92/81/78/653928178.db2.gz NGIOUDMDQCRLLC-UHFFFAOYSA-N 1 0 376.507 2.423 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2nc(Cl)sc2Cl)CC1 ZINC000847424781 653928345 /nfs/dbraw/zinc/92/83/45/653928345.db2.gz QBNRSFMAQKVEMS-SECBINFHSA-N 1 0 377.297 2.004 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(OC(F)(F)F)cc2Br)C1 ZINC000867419448 653930125 /nfs/dbraw/zinc/93/01/25/653930125.db2.gz JNVBWKDUBIOXGO-CYBMUJFWSA-N 1 0 397.191 2.144 20 0 GEADRO CCOc1cc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc(Cl)c1OC ZINC000897611976 653930548 /nfs/dbraw/zinc/93/05/48/653930548.db2.gz LMXSSLOGPOCWBV-YPMHNXCESA-N 1 0 376.906 2.104 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1CS(N)(=O)=O ZINC000897610115 653930566 /nfs/dbraw/zinc/93/05/66/653930566.db2.gz PEXLTVPKVGXDTK-PWSUYJOCSA-N 1 0 384.395 2.123 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000847488594 653930681 /nfs/dbraw/zinc/93/06/81/653930681.db2.gz HXFYSGGGULRVTA-NSHDSACASA-N 1 0 389.725 2.253 20 0 GEADRO Cn1nc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1Br ZINC000825486936 653931183 /nfs/dbraw/zinc/93/11/83/653931183.db2.gz FUUUUTHMEDAVJN-UHFFFAOYSA-N 1 0 381.274 2.053 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cnc(Cl)c(Br)c1 ZINC000847508121 653931382 /nfs/dbraw/zinc/93/13/82/653931382.db2.gz WDYJQVUENZWJAJ-UHFFFAOYSA-N 1 0 376.682 2.074 20 0 GEADRO O=C(Nc1nc(-c2cccs2)ns1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000897658059 653932093 /nfs/dbraw/zinc/93/20/93/653932093.db2.gz XPABXIDMYVJVLE-NEPJUHHUSA-N 1 0 380.495 2.085 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=S)NCCc2cccs2)CC1 ZINC000795138937 653933870 /nfs/dbraw/zinc/93/38/70/653933870.db2.gz OWSGXHQJICKOIW-UHFFFAOYSA-N 1 0 385.599 2.224 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)n2)CC1 ZINC000847576409 653935239 /nfs/dbraw/zinc/93/52/39/653935239.db2.gz WKWFMNGJSWAVCU-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO C[NH+](C)CCc1ccc(NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)cc1 ZINC000825797839 653940974 /nfs/dbraw/zinc/94/09/74/653940974.db2.gz JFEMAPAIZFPHCQ-UHFFFAOYSA-N 1 0 381.885 2.495 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000847691586 653941081 /nfs/dbraw/zinc/94/10/81/653941081.db2.gz GTGHIDRBAKLSLU-UHFFFAOYSA-N 1 0 378.416 2.442 20 0 GEADRO C[NH+](C)CCOC1CCN(c2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000825870345 653942461 /nfs/dbraw/zinc/94/24/61/653942461.db2.gz HZYJAMMOLDFJOW-UHFFFAOYSA-N 1 0 395.305 2.176 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)CC1 ZINC000795291306 653943266 /nfs/dbraw/zinc/94/32/66/653943266.db2.gz ZYUHCIBCUURWQL-UHFFFAOYSA-N 1 0 378.853 2.028 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000897961314 653946106 /nfs/dbraw/zinc/94/61/06/653946106.db2.gz OGJMDRRZQVRLIN-MLGOLLRUSA-N 1 0 395.297 2.379 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C[C@H]([NH3+])C3CC3)n2)cc1 ZINC000826108891 653946637 /nfs/dbraw/zinc/94/66/37/653946637.db2.gz OZICMYORVUAKLE-ZDUSSCGKSA-N 1 0 380.495 2.248 20 0 GEADRO COC[C@@H](CC1CCOCC1)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977996 653947047 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CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000886890643 654007274 /nfs/dbraw/zinc/00/72/74/654007274.db2.gz OWQRRDYROSIMDM-SECBINFHSA-N 1 0 397.722 2.484 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000886895282 654007485 /nfs/dbraw/zinc/00/74/85/654007485.db2.gz DODFHUKOJHRPQE-SNVBAGLBSA-N 1 0 383.258 2.281 20 0 GEADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(C(F)(F)F)c1 ZINC000886896794 654007739 /nfs/dbraw/zinc/00/77/39/654007739.db2.gz UWESFHSZWBYUOR-QMMMGPOBSA-N 1 0 376.322 2.368 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000886896669 654007775 /nfs/dbraw/zinc/00/77/75/654007775.db2.gz QGAUDUNLPBDKOJ-SNVBAGLBSA-N 1 0 383.258 2.281 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000886896668 654007850 /nfs/dbraw/zinc/00/78/50/654007850.db2.gz QGAUDUNLPBDKOJ-JTQLQIEISA-N 1 0 383.258 2.281 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)c1cccc(Br)c1 ZINC000867940890 654009477 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N[C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1cccc(Br)c1 ZINC000867961445 654011107 /nfs/dbraw/zinc/01/11/07/654011107.db2.gz WUIBANLOSVGXMR-KRWDZBQOSA-N 1 0 396.329 2.020 20 0 GEADRO COc1cc(I)ccc1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000867973000 654012201 /nfs/dbraw/zinc/01/22/01/654012201.db2.gz OTKOPVAGWXBCMP-ZDUSSCGKSA-N 1 0 388.249 2.418 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000867974845 654012242 /nfs/dbraw/zinc/01/22/42/654012242.db2.gz WUIHSYMLVGYUMV-GXFFZTMASA-N 1 0 386.233 2.124 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCc2cc(Cl)nnc2C1)c1cccc(Br)c1 ZINC000867981485 654012786 /nfs/dbraw/zinc/01/27/86/654012786.db2.gz RMFPBJXRENPETR-CQSZACIVSA-N 1 0 381.661 2.477 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(OC(F)(F)F)cc1Br ZINC000867979459 654012843 /nfs/dbraw/zinc/01/28/43/654012843.db2.gz IQBARNOTGRONSJ-VIFPVBQESA-N 1 0 383.164 2.066 20 0 GEADRO Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867982874 654013062 /nfs/dbraw/zinc/01/30/62/654013062.db2.gz HLHSVSDTUPCIFS-YOEHRIQHSA-N 1 0 390.281 2.341 20 0 GEADRO CC(=O)N[C@H](C(=O)NCCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000867984065 654013113 /nfs/dbraw/zinc/01/31/13/654013113.db2.gz SPAUZEOKQXAWMC-INIZCTEOSA-N 1 0 382.302 2.132 20 0 GEADRO CS(=O)(=O)C1(C(=O)NCC2(c3cccc(Cl)c3)CCC2)CC[NH2+]CC1 ZINC000867993308 654013498 /nfs/dbraw/zinc/01/34/98/654013498.db2.gz PYOHHECJQRFLHI-UHFFFAOYSA-N 1 0 384.929 2.045 20 0 GEADRO C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000868012061 654014098 /nfs/dbraw/zinc/01/40/98/654014098.db2.gz GDYQZQGAQJKSIW-LBPRGKRZSA-N 1 0 397.317 2.465 20 0 GEADRO C[C@H](NC(=O)COc1cccc(I)c1)C1CC[NH2+]CC1 ZINC000868014394 654014351 /nfs/dbraw/zinc/01/43/51/654014351.db2.gz MMHMBVJINUGSEZ-NSHDSACASA-N 1 0 388.249 2.174 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(Br)cn2)C[C@H](C)O1 ZINC000868022412 654014665 /nfs/dbraw/zinc/01/46/65/654014665.db2.gz MVUYHSOIKACZJR-BETUJISGSA-N 1 0 385.306 2.143 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)NCc2ncc(Br)s2)C[C@H](C)O1 ZINC000868022512 654014905 /nfs/dbraw/zinc/01/49/05/654014905.db2.gz QPKRDEBQMFNLOZ-QWRGUYRKSA-N 1 0 391.335 2.204 20 0 GEADRO C[NH+](C)[C@]1(CN2C(=O)N[C@@H](c3ccccc3Br)C2=O)CCSC1 ZINC000849352179 654015013 /nfs/dbraw/zinc/01/50/13/654015013.db2.gz RJEXRXFTWLRRKN-BBRMVZONSA-N 1 0 398.326 2.479 20 0 GEADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]CCS(=O)(=O)CC(F)(F)F)CC1 ZINC000849349189 654015181 /nfs/dbraw/zinc/01/51/81/654015181.db2.gz WMVDZPLRRMHHDF-UHFFFAOYSA-N 1 0 388.452 2.200 20 0 GEADRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000868032044 654015235 /nfs/dbraw/zinc/01/52/35/654015235.db2.gz OUWXGAKNZLFNLG-TZMCWYRMSA-N 1 0 376.400 2.194 20 0 GEADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1Br ZINC000887035196 654015911 /nfs/dbraw/zinc/01/59/11/654015911.db2.gz INVYSXKYLAFXCK-JTQLQIEISA-N 1 0 390.228 2.057 20 0 GEADRO Cn1ncc(I)c1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000868052444 654016055 /nfs/dbraw/zinc/01/60/55/654016055.db2.gz QMGMPPJRWVTQRN-CYBMUJFWSA-N 1 0 398.248 2.121 20 0 GEADRO COCCC1(NC(=O)c2cc(OC)c(Br)s2)CC[NH2+]CC1 ZINC000868044150 654016118 /nfs/dbraw/zinc/01/61/18/654016118.db2.gz HGOSWOZPZSYUPT-UHFFFAOYSA-N 1 0 377.304 2.408 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c(Br)n1 ZINC000887040422 654016216 /nfs/dbraw/zinc/01/62/16/654016216.db2.gz BVUXKZPGNKGSIE-QGZVFWFLSA-N 1 0 395.301 2.083 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000887042267 654016268 /nfs/dbraw/zinc/01/62/68/654016268.db2.gz SIWMNWOLOHLVGB-KRWDZBQOSA-N 1 0 395.301 2.083 20 0 GEADRO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000797070562 654017360 /nfs/dbraw/zinc/01/73/60/654017360.db2.gz MWRTYGUKTSOGLO-GHMZBOCLSA-N 1 0 381.466 2.299 20 0 GEADRO Cn1ncc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c1I ZINC000887065724 654017997 /nfs/dbraw/zinc/01/79/97/654017997.db2.gz RGUUZPZXASHGSA-UHFFFAOYSA-N 1 0 398.248 2.381 20 0 GEADRO Cn1ncc(NC(=O)c2cccc(C[NH+](C)C)c2)c1I ZINC000887069700 654019179 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CN1CC[NH+](C2CCN(C(=O)NCc3cccc(Br)c3)CC2)CC1 ZINC000868167882 654021781 /nfs/dbraw/zinc/02/17/81/654021781.db2.gz OFOPLRDJCYMLPV-UHFFFAOYSA-N 1 0 395.345 2.371 20 0 GEADRO CCS(=O)(=O)c1ccccc1CCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000899557413 654021851 /nfs/dbraw/zinc/02/18/51/654021851.db2.gz PCHSWIMHHKFPKY-UHFFFAOYSA-N 1 0 385.599 2.075 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000899578255 654022474 /nfs/dbraw/zinc/02/24/74/654022474.db2.gz CUDQYNUZKWAURM-CHWSQXEVSA-N 1 0 382.555 2.078 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)ccc1Br ZINC000868267166 654026208 /nfs/dbraw/zinc/02/62/08/654026208.db2.gz GFCOCQJDJXVBTO-LBPRGKRZSA-N 1 0 398.301 2.291 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC000828196451 654028290 /nfs/dbraw/zinc/02/82/90/654028290.db2.gz QFICIURJLTUKCE-UHFFFAOYSA-N 1 0 391.256 2.456 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000868302104 654028813 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/nfs/dbraw/zinc/19/74/44/654197444.db2.gz HCLLNROIACAIGM-KJNTUJQNSA-N 1 0 380.539 2.155 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000919965988 654197464 /nfs/dbraw/zinc/19/74/64/654197464.db2.gz RCUGLGSNTCXOQO-UHFFFAOYSA-N 1 0 378.274 2.196 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cccc(F)c1Br ZINC000890125646 654198502 /nfs/dbraw/zinc/19/85/02/654198502.db2.gz VPDQWVHATUTOSN-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO O=C(Cc1ccc(Cl)cc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000831682927 654199572 /nfs/dbraw/zinc/19/95/72/654199572.db2.gz LFEPYGDECMCEJB-AWEZNQCLSA-N 1 0 386.721 2.151 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(Cc2ccncc2)CC1)c1cccc(Br)c1 ZINC000870857930 654200485 /nfs/dbraw/zinc/20/04/85/654200485.db2.gz GDMDJBBAWMLELI-QGZVFWFLSA-N 1 0 389.297 2.188 20 0 GEADRO CCO[C@@H](CNC(=O)[C@@H](OC)c1ccc(Br)s1)C[NH+](C)C ZINC000831695277 654200563 /nfs/dbraw/zinc/20/05/63/654200563.db2.gz KQRGWAVBHLJKCN-GWCFXTLKSA-N 1 0 379.320 2.281 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(CC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000870859690 654200641 /nfs/dbraw/zinc/20/06/41/654200641.db2.gz YKRGWQPBZBNIDT-LBPRGKRZSA-N 1 0 380.208 2.155 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)c1cccc(Br)c1 ZINC000870867736 654201552 /nfs/dbraw/zinc/20/15/52/654201552.db2.gz KMCCIFSTOYYHCZ-GOEBONIOSA-N 1 0 394.313 2.214 20 0 GEADRO O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870871035 654201559 /nfs/dbraw/zinc/20/15/59/654201559.db2.gz GMMBDYRZZGJMIY-NSHDSACASA-N 1 0 376.448 2.224 20 0 GEADRO C[C@H]1[C@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[N@@H+]1C ZINC000920074252 654201686 /nfs/dbraw/zinc/20/16/86/654201686.db2.gz UPJXWDQEYZCRBS-GXFFZTMASA-N 1 0 393.289 2.126 20 0 GEADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000870877551 654201947 /nfs/dbraw/zinc/20/19/47/654201947.db2.gz BYLXKUAIYAZILK-FZNQNYSPSA-N 1 0 394.313 2.251 20 0 GEADRO CCO[C@H](CNC(=O)c1scc(C)c1I)C[NH+](C)C ZINC000831723072 654203141 /nfs/dbraw/zinc/20/31/41/654203141.db2.gz DSFSNEMODHRKCC-SNVBAGLBSA-N 1 0 396.294 2.358 20 0 GEADRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccc(N2CCOC2=O)cc1 ZINC000851898583 654203357 /nfs/dbraw/zinc/20/33/57/654203357.db2.gz QHBHOQHXUNQCGM-NSHDSACASA-N 1 0 380.246 2.348 20 0 GEADRO CCO[C@H](CNC(=O)CCc1ccc(Br)cc1OC)C[NH+](C)C ZINC000831730962 654204204 /nfs/dbraw/zinc/20/42/04/654204204.db2.gz JXNATXQDWTWMHD-OAHLLOKOSA-N 1 0 387.318 2.473 20 0 GEADRO CCO[C@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C[NH+](C)C ZINC000831745575 654205771 /nfs/dbraw/zinc/20/57/71/654205771.db2.gz SULGVTFHJJTMLX-GFCCVEGCSA-N 1 0 396.285 2.399 20 0 GEADRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000870908448 654206760 /nfs/dbraw/zinc/20/67/60/654206760.db2.gz LEHYQKIPWFBKPU-AKAXFMLLSA-N 1 0 396.329 2.419 20 0 GEADRO O=C(Nc1cc(CSCCO)ccn1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870910698 654207285 /nfs/dbraw/zinc/20/72/85/654207285.db2.gz RZLNMZNVDQBQMV-UHFFFAOYSA-N 1 0 378.523 2.483 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000851941690 654207371 /nfs/dbraw/zinc/20/73/71/654207371.db2.gz MRSPENJYYLQAEJ-ZIAGYGMSSA-N 1 0 377.447 2.406 20 0 GEADRO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000801751654 654207830 /nfs/dbraw/zinc/20/78/30/654207830.db2.gz SXDHUOGEVVFIBO-JKSUJKDBSA-N 1 0 382.302 2.266 20 0 GEADRO CSc1ccccc1S(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920273711 654208101 /nfs/dbraw/zinc/20/81/01/654208101.db2.gz JUUQFJOZVYCMTE-DTDBQYNISA-N 1 0 384.567 2.167 20 0 GEADRO CC(C)[C@@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[NH+]1CCC(C)CC1 ZINC000851959779 654208660 /nfs/dbraw/zinc/20/86/60/654208660.db2.gz WPJCDVSZEGOSCZ-PWECECGKSA-N 1 0 385.496 2.353 20 0 GEADRO CSc1ccc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000920283034 654209067 /nfs/dbraw/zinc/20/90/67/654209067.db2.gz VSOHBXNVLAOALW-BRSBDYLESA-N 1 0 384.567 2.167 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920283167 654209108 /nfs/dbraw/zinc/20/91/08/654209108.db2.gz WORBVVLBBPUFCJ-XYVMCAHJSA-N 1 0 386.945 2.406 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)c1cccc(Br)c1 ZINC000870936749 654209624 /nfs/dbraw/zinc/20/96/24/654209624.db2.gz OLGKFTKLFNDDBP-XFJVYGCCSA-N 1 0 382.302 2.212 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccccc3Cl)C2)[C@@H]1C(C)C ZINC000920295891 654209843 /nfs/dbraw/zinc/20/98/43/654209843.db2.gz PODSDEHMAHCRTA-LMSBXDPUSA-N 1 0 386.945 2.488 20 0 GEADRO NC(=O)[C@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000801874709 654211783 /nfs/dbraw/zinc/21/17/83/654211783.db2.gz UKGJKZZQRDXMHF-OAHLLOKOSA-N 1 0 381.270 2.393 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H](C)CCCC[NH3+])c1I ZINC000870948729 654213842 /nfs/dbraw/zinc/21/38/42/654213842.db2.gz ZBWAHPFNIOOOMH-SNVBAGLBSA-N 1 0 378.258 2.316 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000870946173 654212743 /nfs/dbraw/zinc/21/27/43/654212743.db2.gz QNWSGNIFIOGIGN-XFJVYGCCSA-N 1 0 382.302 2.070 20 0 GEADRO C[C@@H](CNC(=O)CNC(=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000920458265 654213091 /nfs/dbraw/zinc/21/30/91/654213091.db2.gz FSQNPIKALMTNEF-ZDUSSCGKSA-N 1 0 382.302 2.170 20 0 GEADRO CC(=O)NCC[N@H+](CCn1cnc(Br)n1)Cc1ccc(C)s1 ZINC000852016646 654213220 /nfs/dbraw/zinc/21/32/20/654213220.db2.gz HNQNBJKJAPCSIW-UHFFFAOYSA-N 1 0 386.319 2.049 20 0 GEADRO CCO[C@@H]1CN(C(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)C[C@H]1C[NH3+] ZINC000870949325 654213849 /nfs/dbraw/zinc/21/38/49/654213849.db2.gz ALLSTYZGHPTNPW-XFPGOJQTSA-N 1 0 379.298 2.157 20 0 GEADRO C[C@]([NH3+])(C(=O)NC[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1 ZINC000870962132 654214640 /nfs/dbraw/zinc/21/46/40/654214640.db2.gz PJUCEBOUYACNIX-NVXWUHKLSA-N 1 0 397.313 2.325 20 0 GEADRO O=C(Cc1cccc(I)c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973729 654214648 /nfs/dbraw/zinc/21/46/48/654214648.db2.gz BRJBYYNHHCTUMG-YOWGUQMCSA-N 1 0 384.261 2.481 20 0 GEADRO C[C@@]([NH3+])(C(=O)NC[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1 ZINC000870962134 654214771 /nfs/dbraw/zinc/21/47/71/654214771.db2.gz PJUCEBOUYACNIX-WBVHZDCISA-N 1 0 397.313 2.325 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC[NH2+]CC1 ZINC000870984072 654214826 /nfs/dbraw/zinc/21/48/26/654214826.db2.gz IEEHFFYZCNWBJU-OCCSQVGLSA-N 1 0 394.313 2.306 20 0 GEADRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903069661 654214877 /nfs/dbraw/zinc/21/48/77/654214877.db2.gz YCPYXAOAEBNPNM-CHWSQXEVSA-N 1 0 380.432 2.351 20 0 GEADRO FC(F)(F)c1cc(Cl)c2nnc(C[NH2+][C@H]3CCO[C@]34CCOC4)n2c1 ZINC000903066441 654215013 /nfs/dbraw/zinc/21/50/13/654215013.db2.gz JKOMVUFNRXIOKL-FZMZJTMJSA-N 1 0 376.766 2.439 20 0 GEADRO C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000870985886 654215270 /nfs/dbraw/zinc/21/52/70/654215270.db2.gz KBQJFBCMEYIPHY-ZJUUUORDSA-N 1 0 388.331 2.133 20 0 GEADRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000903093506 654216167 /nfs/dbraw/zinc/21/61/67/654216167.db2.gz RWZIDBXFGLQKFD-JSGCOSHPSA-N 1 0 380.432 2.351 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903104336 654216751 /nfs/dbraw/zinc/21/67/51/654216751.db2.gz SONBRCVJTAVRPG-QMTHXVAHSA-N 1 0 377.388 2.098 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903122540 654218053 /nfs/dbraw/zinc/21/80/53/654218053.db2.gz ZOPVJQQUEWTUFC-IAQYHMDHSA-N 1 0 381.416 2.418 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000920658619 654218085 /nfs/dbraw/zinc/21/80/85/654218085.db2.gz FXSGGMLDBNFBQS-AGUYFDCRSA-N 1 0 382.306 2.396 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(F)c3Br)CC[C@H]21 ZINC000890429952 654219527 /nfs/dbraw/zinc/21/95/27/654219527.db2.gz JYTDNSWRVAQBJC-ZWNOBZJWSA-N 1 0 384.249 2.079 20 0 GEADRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903147585 654221412 /nfs/dbraw/zinc/22/14/12/654221412.db2.gz LJRUCAYMLYUCLZ-IAQYHMDHSA-N 1 0 381.416 2.418 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000871151008 654222057 /nfs/dbraw/zinc/22/20/57/654222057.db2.gz VMZPWELDBQSSEW-UHFFFAOYSA-N 1 0 387.933 2.147 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000831993486 654223127 /nfs/dbraw/zinc/22/31/27/654223127.db2.gz SUMKZLGVADTBOS-VIFPVBQESA-N 1 0 379.258 2.318 20 0 GEADRO C[NH+]1CCN(C[C@@H](NC(=O)NCC2SCCS2)c2ccccc2)CC1 ZINC000852182446 654224076 /nfs/dbraw/zinc/22/40/76/654224076.db2.gz WTDPGUKHLKXKTG-MRXNPFEDSA-N 1 0 380.583 2.080 20 0 GEADRO C[C@H](CNC(=O)N1CCn2ncc(Br)c2C1)[NH+]1CCC(C)CC1 ZINC000852188826 654224583 /nfs/dbraw/zinc/22/45/83/654224583.db2.gz OKCUBKKHTFQZLO-CYBMUJFWSA-N 1 0 384.322 2.291 20 0 GEADRO C[C@@H](CNC(=O)N1CCn2ncc(Br)c2C1)[NH+]1CCC(C)CC1 ZINC000852188827 654224655 /nfs/dbraw/zinc/22/46/55/654224655.db2.gz OKCUBKKHTFQZLO-ZDUSSCGKSA-N 1 0 384.322 2.291 20 0 GEADRO COC[C@@H](CC1CCOCC1)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000903188984 654225326 /nfs/dbraw/zinc/22/53/26/654225326.db2.gz LSPYDZWAKVDDIL-MRXNPFEDSA-N 1 0 376.563 2.048 20 0 GEADRO O[C@@H]1CCC[N@H+](CCn2cnc(Br)n2)[C@H]1CCc1ccccc1 ZINC000852207238 654225523 /nfs/dbraw/zinc/22/55/23/654225523.db2.gz CBUIQDLNWOHPFN-JKSUJKDBSA-N 1 0 379.302 2.499 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903225541 654228425 /nfs/dbraw/zinc/22/84/25/654228425.db2.gz IXYABBQDKXDAGG-LLVKDONJSA-N 1 0 397.360 2.027 20 0 GEADRO O=C(NCC1SCCS1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000852280365 654229585 /nfs/dbraw/zinc/22/95/85/654229585.db2.gz ORIKPAJJFWATAG-MRXNPFEDSA-N 1 0 381.567 2.383 20 0 GEADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000903235186 654231238 /nfs/dbraw/zinc/23/12/38/654231238.db2.gz TUDDMZCRXNSAKN-AEGPPILISA-N 1 0 389.587 2.399 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000921077051 654234773 /nfs/dbraw/zinc/23/47/73/654234773.db2.gz DTUSXYSPZFMQOX-LBPRGKRZSA-N 1 0 375.922 2.050 20 0 GEADRO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000903327306 654234755 /nfs/dbraw/zinc/23/47/55/654234755.db2.gz ZPZUKANYUQYZCB-CHWSQXEVSA-N 1 0 376.258 2.108 20 0 GEADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000852349328 654235012 /nfs/dbraw/zinc/23/50/12/654235012.db2.gz GIFRWIAUXSLNLP-LXZKKBNFSA-N 1 0 375.918 2.269 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903369091 654237145 /nfs/dbraw/zinc/23/71/45/654237145.db2.gz SLABYTNYIGGGQG-GUYCJALGSA-N 1 0 388.917 2.159 20 0 GEADRO O=C(CN[C@@H]1CC[NH2+]C12CCC2)Nc1cccc(I)c1 ZINC000903465927 654240234 /nfs/dbraw/zinc/24/02/34/654240234.db2.gz NOWGPAVDEQOODZ-CYBMUJFWSA-N 1 0 385.249 2.104 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@](C)(C[NH3+])C(C)C ZINC000903491509 654240999 /nfs/dbraw/zinc/24/09/99/654240999.db2.gz NODUDUONHFTXHW-CYBMUJFWSA-N 1 0 383.283 2.249 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@](C)(C[NH3+])C(C)C ZINC000903493769 654241529 /nfs/dbraw/zinc/24/15/29/654241529.db2.gz VAALJWHUMKJYEB-BLLLJJGKSA-N 1 0 378.922 2.405 20 0 GEADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1c[nH]c3cc(Br)ccc31)C2 ZINC000903494608 654241559 /nfs/dbraw/zinc/24/15/59/654241559.db2.gz JYLGWHXXGMMGIC-UHFFFAOYSA-N 1 0 384.299 2.479 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CC[C@H]1[NH3+] ZINC000903517061 654246392 /nfs/dbraw/zinc/24/63/92/654246392.db2.gz DGQIJLHTJFZLSL-GXFFZTMASA-N 1 0 379.295 2.477 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000890879413 654246622 /nfs/dbraw/zinc/24/66/22/654246622.db2.gz TZYJBMPETNHVSD-UHFFFAOYSA-N 1 0 395.305 2.085 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2c(Br)ccc(OC)c2F)CC[C@@H]1[NH3+] ZINC000903518516 654246799 /nfs/dbraw/zinc/24/67/99/654246799.db2.gz QXYQYEBTLBVVJB-ONGXEEELSA-N 1 0 395.294 2.345 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903518672 654246813 /nfs/dbraw/zinc/24/68/13/654246813.db2.gz ODRHLYJIKABSHM-GXFFZTMASA-N 1 0 377.279 2.102 20 0 GEADRO C[C@H](CCCC[NH3+])NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903519543 654247885 /nfs/dbraw/zinc/24/78/85/654247885.db2.gz YMDAKBMDRWPNSD-SNVBAGLBSA-N 1 0 393.303 2.115 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000903525800 654249932 /nfs/dbraw/zinc/24/99/32/654249932.db2.gz QQECBESXWJOWAE-RISCZKNCSA-N 1 0 391.306 2.492 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000903528817 654250413 /nfs/dbraw/zinc/25/04/13/654250413.db2.gz XTDLQSTZJMUDNC-BPLDGKMQSA-N 1 0 388.917 2.174 20 0 GEADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1ccc(Cl)nc1Cl ZINC000871674852 654250745 /nfs/dbraw/zinc/25/07/45/654250745.db2.gz CSRVAWQEMJWGAJ-UHFFFAOYSA-N 1 0 379.251 2.268 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903532938 654250767 /nfs/dbraw/zinc/25/07/67/654250767.db2.gz VUBYCBJPORYEII-UHFFFAOYSA-N 1 0 379.551 2.316 20 0 GEADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1nc(C2CC2)ncc1Br ZINC000871674030 654250891 /nfs/dbraw/zinc/25/08/91/654250891.db2.gz RCGPCWRNIGIUBM-LBPRGKRZSA-N 1 0 395.301 2.005 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2S(=O)(=O)c1cc(F)ccc1Br ZINC000903536755 654251110 /nfs/dbraw/zinc/25/11/10/654251110.db2.gz IGBAHRYWODLTDD-HZMBPMFUSA-N 1 0 377.279 2.480 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000903537771 654251471 /nfs/dbraw/zinc/25/14/71/654251471.db2.gz ATFZGJRUUPVFHJ-UHFFFAOYSA-N 1 0 397.722 2.231 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c(Br)c1 ZINC000903537132 654251474 /nfs/dbraw/zinc/25/14/74/654251474.db2.gz OEMKYPXQPIKRGQ-NHYWBVRUSA-N 1 0 389.315 2.350 20 0 GEADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903537996 654251540 /nfs/dbraw/zinc/25/15/40/654251540.db2.gz JZNHDRNUNVCIQU-UHFFFAOYSA-N 1 0 391.331 2.027 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C1 ZINC000832244820 654252130 /nfs/dbraw/zinc/25/21/30/654252130.db2.gz YDXVRIPOPOXSKR-MRVPVSSYSA-N 1 0 376.194 2.382 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3ccsc3Br)[C@@H]2C1 ZINC000921348321 654253011 /nfs/dbraw/zinc/25/30/11/654253011.db2.gz SXKADELIRBOZHD-ZYHUDNBSSA-N 1 0 379.345 2.366 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903548546 654253641 /nfs/dbraw/zinc/25/36/41/654253641.db2.gz BXEXZMSGDLEUGY-ZIAGYGMSSA-N 1 0 390.933 2.279 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903548527 654253775 /nfs/dbraw/zinc/25/37/75/654253775.db2.gz ZQUYXHZALUYFLS-VXGBXAGGSA-N 1 0 382.507 2.212 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903548920 654254124 /nfs/dbraw/zinc/25/41/24/654254124.db2.gz PCJAYCVRXQLPJT-NXEZZACHSA-N 1 0 395.294 2.121 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)NCC(C)(C)CS(C)(=O)=O)CC1 ZINC000921363395 654254817 /nfs/dbraw/zinc/25/48/17/654254817.db2.gz WWXRYXFCDDCIAW-UHFFFAOYSA-N 1 0 375.579 2.115 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903565284 654257161 /nfs/dbraw/zinc/25/71/61/654257161.db2.gz UMCASAGYYBGHJS-DVVUODLYSA-N 1 0 395.706 2.282 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@H]1C(F)(F)F ZINC000903569662 654257562 /nfs/dbraw/zinc/25/75/62/654257562.db2.gz GQZKLAHUPBHOMC-HTQZYQBOSA-N 1 0 378.294 2.095 20 0 GEADRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Br ZINC000903570434 654257602 /nfs/dbraw/zinc/25/76/02/654257602.db2.gz IMYKFGSMFBXKJI-MWLCHTKSSA-N 1 0 387.221 2.268 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000903570899 654257987 /nfs/dbraw/zinc/25/79/87/654257987.db2.gz HPTFQIPYFITPHF-XWEPSHTISA-N 1 0 398.120 2.227 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000903573973 654259189 /nfs/dbraw/zinc/25/91/89/654259189.db2.gz OUDLWAWQUOOMOU-JTQLQIEISA-N 1 0 395.294 2.359 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000903575401 654259622 /nfs/dbraw/zinc/25/96/22/654259622.db2.gz NDEWNJIEWCJGKY-LBPRGKRZSA-N 1 0 389.315 2.414 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1c[nH]c3cc(Br)ccc31)C2 ZINC000903576784 654259727 /nfs/dbraw/zinc/25/97/27/654259727.db2.gz NWZHDGYKAMJGOY-DLOVCJGASA-N 1 0 384.299 2.431 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc3c(cc1Cl)CCCC(=O)N3)C2 ZINC000903577767 654260529 /nfs/dbraw/zinc/26/05/29/654260529.db2.gz XNFZOMJUAHXMJK-DRZSPHRISA-N 1 0 383.901 2.115 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(SC(F)(F)F)c2)C1 ZINC000852794136 654260795 /nfs/dbraw/zinc/26/07/95/654260795.db2.gz MBTHAAODMYWONQ-LBPRGKRZSA-N 1 0 375.416 2.226 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC[C@H]1C(F)(F)F ZINC000903578866 654261096 /nfs/dbraw/zinc/26/10/96/654261096.db2.gz KSFHDPMMSZJZBG-RKDXNWHRSA-N 1 0 377.310 2.001 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903579347 654261101 /nfs/dbraw/zinc/26/11/01/654261101.db2.gz NOMOBFKPTNCRQY-CHWSQXEVSA-N 1 0 386.823 2.387 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2N1 ZINC000871805637 654261193 /nfs/dbraw/zinc/26/11/93/654261193.db2.gz MYYSCMSGVOVQQZ-OAHLLOKOSA-N 1 0 383.901 2.178 20 0 GEADRO C[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C[C@H]1C[NH3+] ZINC000871806205 654261233 /nfs/dbraw/zinc/26/12/33/654261233.db2.gz YRJFJPIIOXCNGE-WCQYABFASA-N 1 0 385.917 2.220 20 0 GEADRO O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)C(F)(F)c1ccc(Br)cc1 ZINC000852818912 654261632 /nfs/dbraw/zinc/26/16/32/654261632.db2.gz SGTNPKJOKDETDF-CQSZACIVSA-N 1 0 388.256 2.047 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Cl)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809381 654261991 /nfs/dbraw/zinc/26/19/91/654261991.db2.gz AKNXPEZPNNXAPX-CQSZACIVSA-N 1 0 376.881 2.057 20 0 GEADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000871810836 654262477 /nfs/dbraw/zinc/26/24/77/654262477.db2.gz QCXPPCGGKPIUTQ-LLVKDONJSA-N 1 0 379.309 2.430 20 0 GEADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000871811347 654262509 /nfs/dbraw/zinc/26/25/09/654262509.db2.gz VBXYISHTTCCBCG-LLVKDONJSA-N 1 0 379.309 2.430 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)N2CCC[C@H]2c2ccccc2I)=NO1 ZINC000852840770 654262656 /nfs/dbraw/zinc/26/26/56/654262656.db2.gz SPYIDNCGFHJRNK-YGRLFVJLSA-N 1 0 399.232 2.058 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000852841234 654262729 /nfs/dbraw/zinc/26/27/29/654262729.db2.gz HJEVQEPRIIDSMR-UHFFFAOYSA-N 1 0 375.922 2.226 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]2c2ccccc2I)=NO1 ZINC000852840768 654262773 /nfs/dbraw/zinc/26/27/73/654262773.db2.gz SPYIDNCGFHJRNK-IINYFYTJSA-N 1 0 399.232 2.058 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000871811876 654262899 /nfs/dbraw/zinc/26/28/99/654262899.db2.gz SVYOXNIXIXKDGM-GZMMTYOYSA-N 1 0 376.322 2.463 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000871811489 654262925 /nfs/dbraw/zinc/26/29/25/654262925.db2.gz PDMLQGBDCUTNNG-KWQFWETISA-N 1 0 376.322 2.463 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000852847073 654263221 /nfs/dbraw/zinc/26/32/21/654263221.db2.gz JGZGYSSEUJOKPO-UHFFFAOYSA-N 1 0 380.279 2.325 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000852841846 654263309 /nfs/dbraw/zinc/26/33/09/654263309.db2.gz KTKADZPCXYAGDT-UHFFFAOYSA-N 1 0 375.922 2.226 20 0 GEADRO CC1(C)CN(S(=O)(=O)c2cnc3c(Br)csc3c2)C[C@@H]1[NH3+] ZINC000903587125 654264075 /nfs/dbraw/zinc/26/40/75/654264075.db2.gz PXGPRGNBVUKJPR-NSHDSACASA-N 1 0 390.328 2.417 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c(Cl)cc1Cl ZINC000903589637 654264456 /nfs/dbraw/zinc/26/44/56/654264456.db2.gz QFXQHABFPNKKCG-RFAUZJTJSA-N 1 0 393.292 2.282 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871816161 654264817 /nfs/dbraw/zinc/26/48/17/654264817.db2.gz BIRLUYPCUTYSDK-VUCTXSBTSA-N 1 0 388.917 2.317 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)c1 ZINC000903589890 654264759 /nfs/dbraw/zinc/26/47/59/654264759.db2.gz ZZYWJUKEXJDCSV-SNVBAGLBSA-N 1 0 384.454 2.000 20 0 GEADRO N[C@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccccc1Br ZINC000852875585 654264849 /nfs/dbraw/zinc/26/48/49/654264849.db2.gz KJIMNVHLTNEKSU-HNNXBMFYSA-N 1 0 378.274 2.209 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000903589978 654264896 /nfs/dbraw/zinc/26/48/96/654264896.db2.gz SBCIFWTWXRRCGB-CXAGYDPISA-N 1 0 380.901 2.336 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871817794 654265119 /nfs/dbraw/zinc/26/51/19/654265119.db2.gz UHYCFBNVGKLXFM-PBHICJAKSA-N 1 0 381.885 2.460 20 0 GEADRO O=S(=O)(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cc(Br)cnc1Cl ZINC000871817834 654265171 /nfs/dbraw/zinc/26/51/71/654265171.db2.gz VLZMCXUOXSHSOM-CMPLNLGQSA-N 1 0 380.695 2.060 20 0 GEADRO O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cc(Br)cnc1Cl ZINC000871817835 654265354 /nfs/dbraw/zinc/26/53/54/654265354.db2.gz VLZMCXUOXSHSOM-JQWIXIFHSA-N 1 0 380.695 2.060 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000871819820 654265585 /nfs/dbraw/zinc/26/55/85/654265585.db2.gz VRDLTWQXGGYWGD-GFCCVEGCSA-N 1 0 380.436 2.030 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871820492 654265709 /nfs/dbraw/zinc/26/57/09/654265709.db2.gz PNSYMJHIGFQFCD-UONOGXRCSA-N 1 0 377.279 2.292 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)C=C3CC[NH2+]CC3)C2=O)ccc1Br ZINC000852888106 654265980 /nfs/dbraw/zinc/26/59/80/654265980.db2.gz FBTATTSJZUWINH-MRXNPFEDSA-N 1 0 392.297 2.289 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CCCCCC[NH3+])c1F ZINC000871822106 654266016 /nfs/dbraw/zinc/26/60/16/654266016.db2.gz CFPSAGBZPRBUJF-UHFFFAOYSA-N 1 0 380.869 2.405 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903597595 654266160 /nfs/dbraw/zinc/26/61/60/654266160.db2.gz ZLYUSDFOKNVOJO-QGZVFWFLSA-N 1 0 381.885 2.413 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cnn(C)c2Br)cc1 ZINC000852906633 654267390 /nfs/dbraw/zinc/26/73/90/654267390.db2.gz MKGYQVFGHIQKNA-ZFWWWQNUSA-N 1 0 393.285 2.067 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000852908416 654267588 /nfs/dbraw/zinc/26/75/88/654267588.db2.gz MYHFSNBGBVKWFA-CVEARBPZSA-N 1 0 383.286 2.118 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000832451925 654267553 /nfs/dbraw/zinc/26/75/53/654267553.db2.gz GPHWQGYBPSCFBW-ZDUSSCGKSA-N 1 0 387.933 2.181 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000852918537 654268537 /nfs/dbraw/zinc/26/85/37/654268537.db2.gz CDCDTFHMTMPVIU-UHFFFAOYSA-N 1 0 387.311 2.296 20 0 GEADRO C[C@H](CN1C(=O)N[C@@H](Cc2cncs2)C1=O)[N@@H+]1CCc2sccc2C1 ZINC000871895630 654274030 /nfs/dbraw/zinc/27/40/30/654274030.db2.gz VQHOQASSOTZIMU-RISCZKNCSA-N 1 0 376.507 2.114 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853110942 654279523 /nfs/dbraw/zinc/27/95/23/654279523.db2.gz MJZJBWALFFFIAD-SUMWQHHRSA-N 1 0 395.297 2.327 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccsc2)CC[C@H]1C(F)(F)F ZINC000903720328 654281344 /nfs/dbraw/zinc/28/13/44/654281344.db2.gz ACYRGTISGPCCSR-UPJWGTAASA-N 1 0 375.416 2.150 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cnc(Br)cn2)C1 ZINC000921565628 654281785 /nfs/dbraw/zinc/28/17/85/654281785.db2.gz NHVYCWXAMHVRQG-ZDUSSCGKSA-N 1 0 384.322 2.406 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903726403 654282031 /nfs/dbraw/zinc/28/20/31/654282031.db2.gz JWFVIVQPFQTSKZ-VXGBXAGGSA-N 1 0 398.212 2.300 20 0 GEADRO [NH3+]C[C@@H]1CN(CCS(=O)(=O)c2nc3ccccc3s2)C[C@H]1C(F)(F)F ZINC000903780463 654283154 /nfs/dbraw/zinc/28/31/54/654283154.db2.gz HCIIUPYXHWCGES-GHMZBOCLSA-N 1 0 393.456 2.139 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCCN2CCS(=O)(=O)c1cccc(Br)c1 ZINC000903796677 654283897 /nfs/dbraw/zinc/28/38/97/654283897.db2.gz BLNGYTXSEYNQNA-CJNGLKHVSA-N 1 0 387.343 2.426 20 0 GEADRO C[NH+]1CCN(c2cc(C(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)ccn2)CC1 ZINC000803547575 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GEADRO CCCN(C(=O)C(=O)Nc1cc(C)cc(Br)n1)[C@@H]1CC[N@H+](C)C1 ZINC000832742559 654292401 /nfs/dbraw/zinc/29/24/01/654292401.db2.gz KDWYACTVVHUFSO-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000891425886 654293173 /nfs/dbraw/zinc/29/31/73/654293173.db2.gz OGONRUQGQYSQJC-NFAWXSAZSA-N 1 0 381.318 2.407 20 0 GEADRO CCN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000891443732 654294110 /nfs/dbraw/zinc/29/41/10/654294110.db2.gz DZVDVDQEEHPOPW-GFCCVEGCSA-N 1 0 384.274 2.114 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)CC1 ZINC000853390650 654294482 /nfs/dbraw/zinc/29/44/82/654294482.db2.gz HQGZXYNWXJYNQC-VIFPVBQESA-N 1 0 388.697 2.267 20 0 GEADRO O=C(NCc1cccc(Br)c1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891461442 654294461 /nfs/dbraw/zinc/29/44/61/654294461.db2.gz OJEJTNOTYBANTC-OAHLLOKOSA-N 1 0 382.302 2.407 20 0 GEADRO O=C(NCCc1ccc(I)s1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891491547 654297179 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CCSc1ccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@H]43)n2)cc1 ZINC000904112344 654302415 /nfs/dbraw/zinc/30/24/15/654302415.db2.gz DMAAXZGQLQPTLI-SNPRPXQTSA-N 1 0 379.507 2.024 20 0 GEADRO O=C(NCC1CN(C[C@@H](O)c2ccccc2Br)C1)C(F)(F)F ZINC000871991428 654304055 /nfs/dbraw/zinc/30/40/55/654304055.db2.gz BPQSUTOQHYWYGE-GFCCVEGCSA-N 1 0 381.192 2.093 20 0 GEADRO O=C(NCCOc1ncc(Cl)cc1Cl)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891681572 654306304 /nfs/dbraw/zinc/30/63/04/654306304.db2.gz APGMQVUEYQSPBG-SECBINFHSA-N 1 0 383.226 2.311 20 0 GEADRO CCn1c(C[NH2+]C[C@@](C)(O)CCOC)nc(Br)c1Br ZINC000921751616 654318198 /nfs/dbraw/zinc/31/81/98/654318198.db2.gz XSYGLWNWZWJLRS-LBPRGKRZSA-N 1 0 399.127 2.305 20 0 GEADRO [NH3+][C@H]1C[C@@H](CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000904337289 654307916 /nfs/dbraw/zinc/30/79/16/654307916.db2.gz TYNZAISLMSPQIV-TXEJJXNPSA-N 1 0 378.325 2.037 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1nc(Br)sc1C1CC1 ZINC000833559772 654308004 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O=C(NC[C@@H]1CCCCC[NH2+]1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000904541058 654313436 /nfs/dbraw/zinc/31/34/36/654313436.db2.gz SZEIJPZTZZLSNI-NSHDSACASA-N 1 0 397.273 2.434 20 0 GEADRO [NH3+]CCN1CCC[C@@H](c2nc(Cc3ccccc3Br)no2)C1=O ZINC000904540268 654313526 /nfs/dbraw/zinc/31/35/26/654313526.db2.gz XYIRRAQEDLLZIM-LBPRGKRZSA-N 1 0 379.258 2.088 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)CCC2 ZINC000872110830 654313951 /nfs/dbraw/zinc/31/39/51/654313951.db2.gz RNTYVOLHVFJQIS-LBPRGKRZSA-N 1 0 388.358 2.473 20 0 GEADRO CC(C)(C)OC(=O)N1CCOC[C@H]1C(=[NH2+])NOCc1csc(Cl)n1 ZINC000853682055 654314623 /nfs/dbraw/zinc/31/46/23/654314623.db2.gz JQUIHKUTZBLMMX-JTQLQIEISA-N 1 0 376.866 2.431 20 0 GEADRO CCn1c(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)nc2cc(Br)ccc21 ZINC000891851225 654314794 /nfs/dbraw/zinc/31/47/94/654314794.db2.gz GZZYBHMASJVCDQ-RYUDHWBXSA-N 1 0 378.274 2.074 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872149962 654314873 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COCCC1(NC(=O)NCc2ccsc2Br)CC[NH2+]CC1 ZINC000891887990 654316633 /nfs/dbraw/zinc/31/66/33/654316633.db2.gz AGUSTCHCKHAOLN-UHFFFAOYSA-N 1 0 376.320 2.469 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000872214927 654316980 /nfs/dbraw/zinc/31/69/80/654316980.db2.gz KESNEKMZOTZOGW-MQIPJXDCSA-N 1 0 378.296 2.297 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ncc(Br)cn2)C1 ZINC000891893538 654317126 /nfs/dbraw/zinc/31/71/26/654317126.db2.gz WTNWUVLYTOMODJ-STQMWFEESA-N 1 0 384.322 2.406 20 0 GEADRO COC[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cccc(Br)c1 ZINC000872235950 654318542 /nfs/dbraw/zinc/31/85/42/654318542.db2.gz FASWVHJYIFIFNR-WBVHZDCISA-N 1 0 388.302 2.283 20 0 GEADRO [NH3+]CCCSCCc1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 ZINC000904733275 654318595 /nfs/dbraw/zinc/31/85/95/654318595.db2.gz GPKTYJBRQAWUGA-UHFFFAOYSA-N 1 0 389.930 2.463 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2c(Br)cncc2Br)C1 ZINC000891930484 654318977 /nfs/dbraw/zinc/31/89/77/654318977.db2.gz WCNAEKOGEQGAAH-OCAPTIKFSA-N 1 0 392.095 2.143 20 0 GEADRO OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NCc1nc(Br)c[nH]1 ZINC000921764676 654319537 /nfs/dbraw/zinc/31/95/37/654319537.db2.gz LZCRCLVWWCZPMX-LSDHHAIUSA-N 1 0 379.302 2.145 20 0 GEADRO O=C1CC2(CCOCC2)[N@H+](CCOc2cccc(Br)c2)CCN1 ZINC000872287739 654321836 /nfs/dbraw/zinc/32/18/36/654321836.db2.gz DBUAVBUYHBADSN-UHFFFAOYSA-N 1 0 383.286 2.199 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1nc(Br)c[nH]1 ZINC000921801553 654325642 /nfs/dbraw/zinc/32/56/42/654325642.db2.gz UPASQZQHSSMEDK-NWDGAFQWSA-N 1 0 393.351 2.101 20 0 GEADRO Cn1nc2c(c1C[NH+]1CCC(n3cc(Br)cn3)CC1)COCC2 ZINC000892023823 654325625 /nfs/dbraw/zinc/32/56/25/654325625.db2.gz PAYDFBCUXYHVIS-UHFFFAOYSA-N 1 0 380.290 2.289 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905025616 654326974 /nfs/dbraw/zinc/32/69/74/654326974.db2.gz OMZZQIIDGPTQSG-CQSZACIVSA-N 1 0 385.302 2.342 20 0 GEADRO C[C@@](O)(C[NH2+]Cc1cccc(NS(C)(=O)=O)c1)C(F)(F)C(F)(F)F ZINC000905029412 654327373 /nfs/dbraw/zinc/32/73/73/654327373.db2.gz BKBWDGYMBWJNFH-LLVKDONJSA-N 1 0 376.347 2.096 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cccn2c(I)cnc12 ZINC000834466382 654327585 /nfs/dbraw/zinc/32/75/85/654327585.db2.gz VHIQOKKIPKBAKB-LLVKDONJSA-N 1 0 398.248 2.153 20 0 GEADRO C[NH+]1CCC(OCC(=O)Nc2n[nH]c(-c3ccccc3Br)n2)CC1 ZINC000892086121 654327881 /nfs/dbraw/zinc/32/78/81/654327881.db2.gz SQDQVVZBBURISM-UHFFFAOYSA-N 1 0 394.273 2.284 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000834469792 654327875 /nfs/dbraw/zinc/32/78/75/654327875.db2.gz OWUZTHFIHMEAKT-AWEZNQCLSA-N 1 0 385.917 2.094 20 0 GEADRO Cn1ncc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2F)c1Br ZINC000872375403 654328143 /nfs/dbraw/zinc/32/81/43/654328143.db2.gz CECQSBJWWFYGCY-UHFFFAOYSA-N 1 0 391.266 2.184 20 0 GEADRO C[C@@](O)(C[NH2+]CCS(=O)(=O)Cc1ccccc1)C(F)(F)C(F)(F)F ZINC000905059806 654328646 /nfs/dbraw/zinc/32/86/46/654328646.db2.gz IPCYSISZNGMCDG-GFCCVEGCSA-N 1 0 375.359 2.140 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)C[C@@]1(O)CCOC1 ZINC000905082608 654329774 /nfs/dbraw/zinc/32/97/74/654329774.db2.gz UUIZEIYMRPIQKT-WFASDCNBSA-N 1 0 396.228 2.043 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@@](C)(O)C(F)F)c1 ZINC000905107508 654332046 /nfs/dbraw/zinc/33/20/46/654332046.db2.gz ZYUUFLBZAUGVHA-OAHLLOKOSA-N 1 0 395.244 2.183 20 0 GEADRO C[N@H+](CCCNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)Cc1ccccc1 ZINC000872431947 654333631 /nfs/dbraw/zinc/33/36/31/654333631.db2.gz JGPOLBIYCOZLTE-HSZRJFAPSA-N 1 0 375.560 2.239 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CSc3ccccc3O2)C[C@H]1C(F)(F)F ZINC000892199571 654333948 /nfs/dbraw/zinc/33/39/48/654333948.db2.gz BDNAVUITSSZJIZ-IJLUTSLNSA-N 1 0 375.416 2.318 20 0 GEADRO C[C@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1nc(Br)cs1 ZINC000834555460 654334453 /nfs/dbraw/zinc/33/44/53/654334453.db2.gz WNNBKDKROSBCPZ-RYUDHWBXSA-N 1 0 389.363 2.499 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000834565224 654335185 /nfs/dbraw/zinc/33/51/85/654335185.db2.gz RWBVCTCIJJDYPB-HNNXBMFYSA-N 1 0 379.498 2.224 20 0 GEADRO O[C@H](C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)C1(O)CCC1 ZINC000905166206 654335477 /nfs/dbraw/zinc/33/54/77/654335477.db2.gz OOLBAWOECPBVBJ-QGZVFWFLSA-N 1 0 383.330 2.279 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)ncc2Cl)C1 ZINC000834565249 654335662 /nfs/dbraw/zinc/33/56/62/654335662.db2.gz SBPIHLZBBPBLRB-CQSZACIVSA-N 1 0 376.682 2.026 20 0 GEADRO O[C@@H](C[NH2+]CCc1cc(Cl)ccc1Br)C1(O)CCOCC1 ZINC000905173195 654335890 /nfs/dbraw/zinc/33/58/90/654335890.db2.gz AYPNRZKUEICOQO-AWEZNQCLSA-N 1 0 378.694 2.137 20 0 GEADRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1nc(Br)cs1 ZINC000834578674 654336125 /nfs/dbraw/zinc/33/61/25/654336125.db2.gz WXXJJJSZFAMWHG-SNVBAGLBSA-N 1 0 375.336 2.109 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872440020 654336356 /nfs/dbraw/zinc/33/63/56/654336356.db2.gz WZJMBSQGALIDCE-OCGLXOCMSA-N 1 0 379.592 2.465 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)n1 ZINC000834605496 654337438 /nfs/dbraw/zinc/33/74/38/654337438.db2.gz VBZDXNWVXXDEBB-UHFFFAOYSA-N 1 0 375.782 2.442 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1COc2cccc(Br)c2C1 ZINC000892268441 654337862 /nfs/dbraw/zinc/33/78/62/654337862.db2.gz WARAKTBYTNUQNT-IAQYHMDHSA-N 1 0 380.286 2.194 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ncc(Br)cn1 ZINC000892286395 654338582 /nfs/dbraw/zinc/33/85/82/654338582.db2.gz KJTMRSJFFLRZQD-JHJVBQTASA-N 1 0 384.322 2.405 20 0 GEADRO CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834634584 654339783 /nfs/dbraw/zinc/33/97/83/654339783.db2.gz CRAADCBOXFPOPZ-CABCVRRESA-N 1 0 377.551 2.082 20 0 GEADRO C[NH+]1CCN(c2ccc(-c3noc(C[C@@H]4CSCCS4)n3)nc2)CC1 ZINC000854089253 654339955 /nfs/dbraw/zinc/33/99/55/654339955.db2.gz XMFVOXVASVMWDR-CQSZACIVSA-N 1 0 377.539 2.275 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000834635521 654340112 /nfs/dbraw/zinc/34/01/12/654340112.db2.gz JFZOMZBGAQJPQE-FZMZJTMJSA-N 1 0 378.523 2.043 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921908931 654340447 /nfs/dbraw/zinc/34/04/47/654340447.db2.gz SQUFTKKNUPXBIY-OAHLLOKOSA-N 1 0 376.881 2.152 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921908928 654340463 /nfs/dbraw/zinc/34/04/63/654340463.db2.gz SQUFTKKNUPXBIY-HNNXBMFYSA-N 1 0 376.881 2.152 20 0 GEADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)c(C(F)F)c1 ZINC000872454742 654340519 /nfs/dbraw/zinc/34/05/19/654340519.db2.gz YSUZWIIHEIMBNU-LBPRGKRZSA-N 1 0 380.432 2.279 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC[C@H]1[NH3+] ZINC000834647831 654341096 /nfs/dbraw/zinc/34/10/96/654341096.db2.gz RGWOVXUWORLCSS-MLGOLLRUSA-N 1 0 385.917 2.079 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[N@@H+]1C ZINC000872455712 654341226 /nfs/dbraw/zinc/34/12/26/654341226.db2.gz ZJWDLNALVJFUKL-AAEUAGOBSA-N 1 0 385.917 2.376 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)cc1Cl ZINC000905231063 654342030 /nfs/dbraw/zinc/34/20/30/654342030.db2.gz IWMOVKYKMRUOGM-WBVHZDCISA-N 1 0 383.897 2.318 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C1 ZINC000872459080 654342945 /nfs/dbraw/zinc/34/29/45/654342945.db2.gz QAJCMMWFHUXDAB-ZDUSSCGKSA-N 1 0 388.331 2.197 20 0 GEADRO [NH3+][C@H](CCNC(=O)N1CCn2ncc(Br)c2C1)Cc1ccccc1 ZINC000892411258 654344693 /nfs/dbraw/zinc/34/46/93/654344693.db2.gz NYEWJSYSPJJVDR-CQSZACIVSA-N 1 0 392.301 2.131 20 0 GEADRO COc1ccc([C@H](NCCS(=O)(=O)CC(F)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000854224841 654344988 /nfs/dbraw/zinc/34/49/88/654344988.db2.gz ZPQWHHFQWCZHAS-CABCVRRESA-N 1 0 380.432 2.055 20 0 GEADRO Cc1cc(C[NH2+][C@H](CO)c2cnn(C)c2)c(C)cc1I ZINC000921939107 654345103 /nfs/dbraw/zinc/34/51/03/654345103.db2.gz UHABPDGWYGHQSF-OAHLLOKOSA-N 1 0 385.249 2.465 20 0 GEADRO CC[C@@](O)(C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000905254384 654345425 /nfs/dbraw/zinc/34/54/25/654345425.db2.gz LULOTSOZBRGUMH-GFCCVEGCSA-N 1 0 392.802 2.050 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000892434161 654346007 /nfs/dbraw/zinc/34/60/07/654346007.db2.gz NKCLZYQRORTNLM-WBIUFABUSA-N 1 0 388.281 2.438 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@H]2CCCCC2(F)F)CCC1 ZINC000905273079 654346706 /nfs/dbraw/zinc/34/67/06/654346706.db2.gz KCDJMSGWIQTNLK-ZIAGYGMSSA-N 1 0 382.517 2.403 20 0 GEADRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000905271378 654346897 /nfs/dbraw/zinc/34/68/97/654346897.db2.gz CIHQNZMQJJRPSB-IAGOWNOFSA-N 1 0 395.297 2.075 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNc1cc[nH+]cc1CO ZINC000892458193 654347075 /nfs/dbraw/zinc/34/70/75/654347075.db2.gz VRTAUQDCHOGLGF-UHFFFAOYSA-N 1 0 378.270 2.219 20 0 GEADRO CCNS(=O)(=O)c1cccc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000905284182 654347862 /nfs/dbraw/zinc/34/78/62/654347862.db2.gz JRCGKEOHOJIKBM-LBPRGKRZSA-N 1 0 390.374 2.023 20 0 GEADRO C[C@@H]([NH2+]CCCC(C)(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834817859 654350375 /nfs/dbraw/zinc/35/03/75/654350375.db2.gz DEYHTSCSQGAUFV-GFCCVEGCSA-N 1 0 398.497 2.498 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c(Cl)cc1Cl ZINC000834821172 654350825 /nfs/dbraw/zinc/35/08/25/654350825.db2.gz LCSYZDYVFSCPMS-UWVGGRQHSA-N 1 0 396.340 2.393 20 0 GEADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1nc(Br)c[nH]1 ZINC000921981527 654351005 /nfs/dbraw/zinc/35/10/05/654351005.db2.gz VYXMJIXHOZXBHB-OAHLLOKOSA-N 1 0 379.302 2.419 20 0 GEADRO COc1cc(CN(C)S(=O)(=O)CC2CC[NH2+]CC2)ccc1OC(F)F ZINC000905332479 654350934 /nfs/dbraw/zinc/35/09/34/654350934.db2.gz ZUJQNUCTQRVDRD-UHFFFAOYSA-N 1 0 378.441 2.058 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCCc1cc(Br)ccc1F ZINC000905335839 654351484 /nfs/dbraw/zinc/35/14/84/654351484.db2.gz SKULUBNETKFQCM-UHFFFAOYSA-N 1 0 379.295 2.050 20 0 GEADRO C[C@@H](CNS(=O)(=O)CC1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000905338645 654351852 /nfs/dbraw/zinc/35/18/52/654351852.db2.gz UIJLRVQYXJKIQV-LBPRGKRZSA-N 1 0 391.331 2.135 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCCCc1ccc(Br)cc1F ZINC000905339738 654351879 /nfs/dbraw/zinc/35/18/79/654351879.db2.gz RPJYGXMOSVSZGR-UHFFFAOYSA-N 1 0 393.322 2.440 20 0 GEADRO [NH3+]CC[C@H](NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)C(F)F ZINC000834831555 654352078 /nfs/dbraw/zinc/35/20/78/654352078.db2.gz QOZPXLCLHQXFAL-NSHDSACASA-N 1 0 388.465 2.027 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892569393 654352126 /nfs/dbraw/zinc/35/21/26/654352126.db2.gz BZBYGISIOZNWKZ-NNUKFRKNSA-N 1 0 387.311 2.378 20 0 GEADRO Cc1nc([C@H](NS(=O)(=O)CC2CC[NH2+]CC2)c2ccc(Cl)cc2)no1 ZINC000905344392 654352142 /nfs/dbraw/zinc/35/21/42/654352142.db2.gz ZANOYLSXVFFEKR-OAHLLOKOSA-N 1 0 384.889 2.040 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000892581606 654352302 /nfs/dbraw/zinc/35/23/02/654352302.db2.gz HRXVXHYOCJXTMW-HAQNSBGRSA-N 1 0 387.347 2.075 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000892583977 654352528 /nfs/dbraw/zinc/35/25/28/654352528.db2.gz WAMZPQMRGULBSE-FUKZOUPISA-N 1 0 385.295 2.198 20 0 GEADRO CN1CCN(C(=O)c2ccc(C[NH2+]C[C@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000892582809 654352637 /nfs/dbraw/zinc/35/26/37/654352637.db2.gz MXCACPZZJCGUHW-SJLPKXTDSA-N 1 0 380.330 2.337 20 0 GEADRO CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000905357059 654353016 /nfs/dbraw/zinc/35/30/16/654353016.db2.gz IEYOCSUTCOFPDI-LRDDRELGSA-N 1 0 388.917 2.174 20 0 GEADRO CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000905357061 654353042 /nfs/dbraw/zinc/35/30/42/654353042.db2.gz IEYOCSUTCOFPDI-WBMJQRKESA-N 1 0 388.917 2.174 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000905357385 654353075 /nfs/dbraw/zinc/35/30/75/654353075.db2.gz LDFXVONLZVLKIZ-GFCCVEGCSA-N 1 0 381.267 2.016 20 0 GEADRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Br)nn1 ZINC000892591826 654352976 /nfs/dbraw/zinc/35/29/76/654352976.db2.gz KGXQGIXVEPIOFR-CYBMUJFWSA-N 1 0 377.290 2.257 20 0 GEADRO O=S(=O)(c1ccccc1)C1CC([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000892613638 654353519 /nfs/dbraw/zinc/35/35/19/654353519.db2.gz NHDKIKPXLZNYFN-VQCLRJIVSA-N 1 0 376.444 2.465 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)CCC1(O)CCC1)Cc1ccccc1Br ZINC000905366903 654353609 /nfs/dbraw/zinc/35/36/09/654353609.db2.gz QALBCBFBSVNDDE-GDBMZVCRSA-N 1 0 386.330 2.246 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872487773 654353882 /nfs/dbraw/zinc/35/38/82/654353882.db2.gz GKGBMKXHOHSBDF-UHFFFAOYSA-N 1 0 381.464 2.267 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@@H](CO)Cc1ccncc1Cl)C(F)(F)C(F)(F)F ZINC000905370395 654354070 /nfs/dbraw/zinc/35/40/70/654354070.db2.gz DIRIHOGMTJNEFD-JOYOIKCWSA-N 1 0 376.753 2.424 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1cccn2c(I)cnc12)C1CCCC1 ZINC000834869994 654354536 /nfs/dbraw/zinc/35/45/36/654354536.db2.gz VQWXNLHENVBNMG-GFCCVEGCSA-N 1 0 398.248 2.186 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)Cc1ccoc1 ZINC000905418904 654356357 /nfs/dbraw/zinc/35/63/57/654356357.db2.gz MYZHBYCHPQILHD-GOEBONIOSA-N 1 0 384.270 2.223 20 0 GEADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000905446303 654357956 /nfs/dbraw/zinc/35/79/56/654357956.db2.gz FWPGANYLNBJORF-GMXVVIOVSA-N 1 0 377.350 2.009 20 0 GEADRO O=C(OCc1ccccc1)[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000905453389 654358351 /nfs/dbraw/zinc/35/83/51/654358351.db2.gz UEZZTQNHGBAMLP-IRXDYDNUSA-N 1 0 394.265 2.176 20 0 GEADRO C[C@](O)(C[NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000905459634 654358885 /nfs/dbraw/zinc/35/88/85/654358885.db2.gz HRAUSMUBMVZMPW-WWGRRREGSA-N 1 0 376.266 2.315 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000835043563 654359309 /nfs/dbraw/zinc/35/93/09/654359309.db2.gz RZWDTCPSXODACP-LBPRGKRZSA-N 1 0 385.306 2.184 20 0 GEADRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872512334 654361639 /nfs/dbraw/zinc/36/16/39/654361639.db2.gz VBFJUBPCAJPSBI-QHCPKHFHSA-N 1 0 381.608 2.427 20 0 GEADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3nnc(C)s3)CC2)cc1 ZINC000892739507 654362110 /nfs/dbraw/zinc/36/21/10/654362110.db2.gz IXOCDLVVOUNLRY-UHFFFAOYSA-N 1 0 380.539 2.399 20 0 GEADRO Cn1nc2c(c1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1)COCC2 ZINC000922062009 654362217 /nfs/dbraw/zinc/36/22/17/654362217.db2.gz ZOWQZOISAREKBH-AWEZNQCLSA-N 1 0 394.313 2.196 20 0 GEADRO C[C@@]1(NC(=O)c2cn(-c3ccccc3Br)nn2)C[NH+]2CCC1CC2 ZINC000892789509 654364066 /nfs/dbraw/zinc/36/40/66/654364066.db2.gz RCJKRQLDNBQNHO-QGZVFWFLSA-N 1 0 390.285 2.244 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000835149349 654365781 /nfs/dbraw/zinc/36/57/81/654365781.db2.gz RIUJCBMDOXJPAX-YHWZYXNKSA-N 1 0 395.301 2.223 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)n2)C1 ZINC000835152607 654366129 /nfs/dbraw/zinc/36/61/29/654366129.db2.gz MVDPSHFNDATCTP-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1ccnn1C1CCC1)c1ccc(Cl)cc1F ZINC000922097950 654366985 /nfs/dbraw/zinc/36/69/85/654366985.db2.gz FHTFWPQESVFMTJ-UHFFFAOYSA-N 1 0 386.880 2.469 20 0 GEADRO CC(C)(C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)CS(C)(=O)=O ZINC000905575832 654366957 /nfs/dbraw/zinc/36/69/57/654366957.db2.gz CZYTVRZJCDUSCP-GFCCVEGCSA-N 1 0 384.325 2.394 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](C)c1ccc(Br)cc1 ZINC000892867936 654367656 /nfs/dbraw/zinc/36/76/56/654367656.db2.gz BFBMRJCKBKGMAS-HUUCEWRRSA-N 1 0 397.361 2.488 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](C)c1ccc(Br)cc1 ZINC000892867934 654367774 /nfs/dbraw/zinc/36/77/74/654367774.db2.gz BFBMRJCKBKGMAS-CABCVRRESA-N 1 0 397.361 2.488 20 0 GEADRO Cc1ccc(OC[C@@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000905586298 654368285 /nfs/dbraw/zinc/36/82/85/654368285.db2.gz JGDNBEXOAWLHFO-HNNXBMFYSA-N 1 0 380.286 2.473 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)n2)C[C@@H]1C ZINC000835173085 654368284 /nfs/dbraw/zinc/36/82/84/654368284.db2.gz UHCURGYBLNXYQH-QWHCGFSZSA-N 1 0 397.317 2.422 20 0 GEADRO Cn1nc(Br)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000854588491 654368912 /nfs/dbraw/zinc/36/89/12/654368912.db2.gz BQJFVTZICHYFQM-ZDUSSCGKSA-N 1 0 378.274 2.428 20 0 GEADRO O=S(=O)(CC[NH2+]CCOC1CCOCC1)c1cccc(Br)c1 ZINC000905609798 654369629 /nfs/dbraw/zinc/36/96/29/654369629.db2.gz PPMJHFQQVAMTOB-UHFFFAOYSA-N 1 0 392.315 2.008 20 0 GEADRO Cn1nnc2c1C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)CC2 ZINC000905633579 654371228 /nfs/dbraw/zinc/37/12/28/654371228.db2.gz NLFJXRKCVUGMOU-CYBMUJFWSA-N 1 0 378.274 2.053 20 0 GEADRO CN(C)C(=O)c1cccc(C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000922151823 654372240 /nfs/dbraw/zinc/37/22/40/654372240.db2.gz UTMCDTRDJXWKMO-UHFFFAOYSA-N 1 0 378.270 2.102 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cn(C(C)(C)C)nc1Br ZINC000854642350 654372313 /nfs/dbraw/zinc/37/23/13/654372313.db2.gz KPEDJHLFPNHQKA-ZIAGYGMSSA-N 1 0 399.333 2.336 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000835221453 654372593 /nfs/dbraw/zinc/37/25/93/654372593.db2.gz YZCFDCQYNDBJCF-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO Cn1cc(I)c(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)n1 ZINC000922162999 654372717 /nfs/dbraw/zinc/37/27/17/654372717.db2.gz XUWXGQBJKLOJJS-GRYCIOLGSA-N 1 0 375.254 2.320 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000905669131 654373113 /nfs/dbraw/zinc/37/31/13/654373113.db2.gz VIBIAXIJLQQPLC-BETUJISGSA-N 1 0 387.322 2.456 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cnc2n1CCOC2 ZINC000922168889 654373311 /nfs/dbraw/zinc/37/33/11/654373311.db2.gz OKJSUDCALRGYLB-CQSZACIVSA-N 1 0 394.313 2.425 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000854651555 654373542 /nfs/dbraw/zinc/37/35/42/654373542.db2.gz DQEKAZROIDURFR-GWCFXTLKSA-N 1 0 389.315 2.017 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000854655791 654373632 /nfs/dbraw/zinc/37/36/32/654373632.db2.gz UKXRVYWZTNORIH-PWSUYJOCSA-N 1 0 398.248 2.104 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)CCS2 ZINC000905697094 654375517 /nfs/dbraw/zinc/37/55/17/654375517.db2.gz QVFGGDUBJUVAMC-CSLYMUCUSA-N 1 0 383.535 2.267 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835261507 654375629 /nfs/dbraw/zinc/37/56/29/654375629.db2.gz YJHMXQPWBKCQNR-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO CCN1CCC([NH+]2CCC(C(=O)NCc3cc(Br)no3)CC2)CC1 ZINC000854705796 654375668 /nfs/dbraw/zinc/37/56/68/654375668.db2.gz PKDNHIJINMEMFB-UHFFFAOYSA-N 1 0 399.333 2.250 20 0 GEADRO O=C1C[C@@H](C[NH2+]Cc2nc(Br)c[nH]2)[C@H](c2cccnc2)N1C1CC1 ZINC000922208242 654375806 /nfs/dbraw/zinc/37/58/06/654375806.db2.gz VNMCLDZDALTQRN-SJCJKPOMSA-N 1 0 390.285 2.409 20 0 GEADRO C[C@](CO)(NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000893018999 654376008 /nfs/dbraw/zinc/37/60/08/654376008.db2.gz PDVRCEMUUOAVFX-RHSMWYFYSA-N 1 0 382.302 2.193 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000922218998 654376321 /nfs/dbraw/zinc/37/63/21/654376321.db2.gz DLVFLKDCTMGSPC-UHFFFAOYSA-N 1 0 382.306 2.255 20 0 GEADRO O=C(NCC1CC[NH+](C2CC2)CC1)NCC1(n2cc(Br)cn2)CC1 ZINC000922220769 654376588 /nfs/dbraw/zinc/37/65/88/654376588.db2.gz ZTSYWXPGJCYUBS-UHFFFAOYSA-N 1 0 396.333 2.308 20 0 GEADRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3cc(Br)no3)c2)CC1 ZINC000854707814 654376814 /nfs/dbraw/zinc/37/68/14/654376814.db2.gz IRCRYNIEMMXVNU-UHFFFAOYSA-N 1 0 393.285 2.115 20 0 GEADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1 ZINC000922244199 654378932 /nfs/dbraw/zinc/37/89/32/654378932.db2.gz RRHWDTLUDONVFF-RYUDHWBXSA-N 1 0 388.452 2.247 20 0 GEADRO Cn1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c(I)n1 ZINC000905828759 654382057 /nfs/dbraw/zinc/38/20/57/654382057.db2.gz RUCRBQRCJOWRJS-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000893097456 654382085 /nfs/dbraw/zinc/38/20/85/654382085.db2.gz NULHFEJDFQRJJE-UHFFFAOYSA-N 1 0 377.304 2.320 20 0 GEADRO O=C(/C=C/c1ccc(Cl)s1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922346618 654384820 /nfs/dbraw/zinc/38/48/20/654384820.db2.gz KKOAXGDJEOQRGX-DRDHIDPGSA-N 1 0 383.945 2.328 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000872662111 654386852 /nfs/dbraw/zinc/38/68/52/654386852.db2.gz BQWXHKDKBGRFPV-ZIAGYGMSSA-N 1 0 389.315 2.315 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000872665615 654387607 /nfs/dbraw/zinc/38/76/07/654387607.db2.gz PRKORVVMQWYSJZ-CVEARBPZSA-N 1 0 375.897 2.324 20 0 GEADRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cnc3ccc(Br)cn23)[nH]1 ZINC000922408659 654391018 /nfs/dbraw/zinc/39/10/18/654391018.db2.gz BMOVBKDYVFSWNP-IAQYHMDHSA-N 1 0 391.273 2.391 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@@H]1CCC(=O)N1 ZINC000854988659 654392568 /nfs/dbraw/zinc/39/25/68/654392568.db2.gz DURJZFLXVMIKAI-ZDUSSCGKSA-N 1 0 397.317 2.054 20 0 GEADRO CN1CC[NH+](C2CCN(Cn3ncc(Br)c3C3CC3)CC2)CC1 ZINC000872731572 654393315 /nfs/dbraw/zinc/39/33/15/654393315.db2.gz IEBVOIVGGTYLIE-UHFFFAOYSA-N 1 0 382.350 2.192 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC[C@@H]21 ZINC000872724863 654393341 /nfs/dbraw/zinc/39/33/41/654393341.db2.gz YYXDCAIZCFCQJF-MFKMUULPSA-N 1 0 384.249 2.480 20 0 GEADRO COCCc1ncc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000922468961 654395649 /nfs/dbraw/zinc/39/56/49/654395649.db2.gz ANZBLJQVOQIUIL-UHFFFAOYSA-N 1 0 375.560 2.062 20 0 GEADRO Cn1nc(C(F)(F)F)cc1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000922472039 654396031 /nfs/dbraw/zinc/39/60/31/654396031.db2.gz TXTZPSUSZZSBMS-UHFFFAOYSA-N 1 0 382.452 2.169 20 0 GEADRO C[C@]1(Br)C[C@@H]1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000893306104 654396421 /nfs/dbraw/zinc/39/64/21/654396421.db2.gz WQADFXXCZSBSMI-RISCZKNCSA-N 1 0 377.304 2.200 20 0 GEADRO C[N@H+](CCNC(=O)NCc1ncc(Br)cn1)Cc1ccc(F)cc1 ZINC000893432404 654401246 /nfs/dbraw/zinc/40/12/46/654401246.db2.gz WSOKICFGHGTIPZ-UHFFFAOYSA-N 1 0 396.264 2.309 20 0 GEADRO CCOc1c(Cl)cc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1OC ZINC000922615772 654403532 /nfs/dbraw/zinc/40/35/32/654403532.db2.gz PHFXGWVTCHOUIG-MRXNPFEDSA-N 1 0 377.890 2.041 20 0 GEADRO Cc1cc(Br)ccc1CNc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000893550197 654407606 /nfs/dbraw/zinc/40/76/06/654407606.db2.gz JLTWNPHRERNRIO-UHFFFAOYSA-N 1 0 394.317 2.244 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000922709490 654408722 /nfs/dbraw/zinc/40/87/22/654408722.db2.gz BJEUSXBMDHVBFX-UHFFFAOYSA-N 1 0 384.322 2.389 20 0 GEADRO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000906058562 654410989 /nfs/dbraw/zinc/41/09/89/654410989.db2.gz XPAPLCCDGGKGOP-UHFFFAOYSA-N 1 0 389.543 2.326 20 0 GEADRO Cc1ccc(Br)c(F)c1C[NH2+]CCCN1CCCS1(=O)=O ZINC000873044486 654411931 /nfs/dbraw/zinc/41/19/31/654411931.db2.gz OPBJIUNNDQOMID-UHFFFAOYSA-N 1 0 379.295 2.412 20 0 GEADRO Cc1sc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1Br ZINC000873052748 654412053 /nfs/dbraw/zinc/41/20/53/654412053.db2.gz VPXSYWAWQYOLAD-AWEZNQCLSA-N 1 0 388.375 2.315 20 0 GEADRO CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000906064058 654412083 /nfs/dbraw/zinc/41/20/83/654412083.db2.gz WXORHUYMDDROIO-GDBMZVCRSA-N 1 0 394.313 2.279 20 0 GEADRO CC1([NH+]2CCCCC2)CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 ZINC000873062011 654412488 /nfs/dbraw/zinc/41/24/88/654412488.db2.gz NFAHGKCKIHORJU-VWLOTQADSA-N 1 0 383.480 2.347 20 0 GEADRO COc1cc2[nH+]ccc(NC3CC[NH+](CC(=O)[O-])CC3)c2cc1Br ZINC000873067465 654413021 /nfs/dbraw/zinc/41/30/21/654413021.db2.gz JCNRGFAKOCOOPY-UHFFFAOYSA-N 1 0 394.269 2.389 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000893651625 654413774 /nfs/dbraw/zinc/41/37/74/654413774.db2.gz PEXWSSYPUQORNU-HNNXBMFYSA-N 1 0 397.361 2.269 20 0 GEADRO COC(=O)COc1ccccc1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922802380 654414000 /nfs/dbraw/zinc/41/40/00/654414000.db2.gz NVJJTGTVFPNGRO-UHFFFAOYSA-N 1 0 394.269 2.476 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)s1 ZINC000922800934 654414078 /nfs/dbraw/zinc/41/40/78/654414078.db2.gz AEEBSLXQQZDYJR-UHFFFAOYSA-N 1 0 390.328 2.390 20 0 GEADRO C[N@H+](CCCCNC(=O)NCC1(n2cc(Br)cn2)CC1)C1CC1 ZINC000922808191 654414927 /nfs/dbraw/zinc/41/49/27/654414927.db2.gz ICYITGKZVWCKMM-UHFFFAOYSA-N 1 0 384.322 2.308 20 0 GEADRO CSc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1C ZINC000873106407 654415631 /nfs/dbraw/zinc/41/56/31/654415631.db2.gz IQIVYRAOJUERNV-PWSUYJOCSA-N 1 0 375.416 2.251 20 0 GEADRO CSc1c(F)cccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873106185 654415643 /nfs/dbraw/zinc/41/56/43/654415643.db2.gz FXBZJEQBGHQCBK-BDAKNGLRSA-N 1 0 379.379 2.082 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000922826671 654415652 /nfs/dbraw/zinc/41/56/52/654415652.db2.gz FSJGMSYGFHHXTR-CYBMUJFWSA-N 1 0 388.283 2.204 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C2 ZINC000873107611 654415963 /nfs/dbraw/zinc/41/59/63/654415963.db2.gz WJAIQRYAWHSTPU-BJOHPYRUSA-N 1 0 386.677 2.109 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)CC(F)F ZINC000922850197 654416789 /nfs/dbraw/zinc/41/67/89/654416789.db2.gz JIDIHXGVVIUBTC-HYWTVENDSA-N 1 0 382.473 2.233 20 0 GEADRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cccc(F)c1I)C2 ZINC000873132836 654417904 /nfs/dbraw/zinc/41/79/04/654417904.db2.gz HPNVBFFXNGNQIC-JTQLQIEISA-N 1 0 386.212 2.206 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)[C@]2(F)CCS(=O)(=O)C2)cc1C(F)(F)F ZINC000906143345 654418758 /nfs/dbraw/zinc/41/87/58/654418758.db2.gz WIGAAPNJPUGBNA-AWEZNQCLSA-N 1 0 382.379 2.232 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)NCc2ncc(Cl)s2)CC1 ZINC000873173864 654420318 /nfs/dbraw/zinc/42/03/18/654420318.db2.gz BWVQTDKNRMVRQE-UHFFFAOYSA-N 1 0 390.937 2.065 20 0 GEADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c(Br)cnn2C)cc1OC ZINC000873192248 654421930 /nfs/dbraw/zinc/42/19/30/654421930.db2.gz BIHLXAUJVQVMQF-KRWDZBQOSA-N 1 0 398.301 2.283 20 0 GEADRO Ic1cnc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)s1 ZINC000922955527 654421953 /nfs/dbraw/zinc/42/19/53/654421953.db2.gz YZZOUQGUVBDNTH-NSHDSACASA-N 1 0 393.294 2.091 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c1N ZINC000906218408 654422539 /nfs/dbraw/zinc/42/25/39/654422539.db2.gz KGFQLNQSRGUGCX-UHFFFAOYSA-N 1 0 378.274 2.254 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1I ZINC000893870146 654427835 /nfs/dbraw/zinc/42/78/35/654427835.db2.gz TXWQEUFRJFWLFQ-SNVBAGLBSA-N 1 0 390.269 2.067 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCc4nnn(C)c4C3)cnc12 ZINC000922993092 654423482 /nfs/dbraw/zinc/42/34/82/654423482.db2.gz GXXXKNHFHCVFCT-LBPRGKRZSA-N 1 0 375.274 2.181 20 0 GEADRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1c(I)cnn1C ZINC000873276052 654423539 /nfs/dbraw/zinc/42/35/39/654423539.db2.gz MCHUZZFVIISCPA-SMDDNHRTSA-N 1 0 384.265 2.073 20 0 GEADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000906251475 654423688 /nfs/dbraw/zinc/42/36/88/654423688.db2.gz WHGDYFYZGKSRTR-CYBMUJFWSA-N 1 0 380.703 2.283 20 0 GEADRO Cn1nnc2c1C[C@H]([NH2+]Cc1cc(Br)c3c(c1)OCCCO3)CC2 ZINC000922994228 654423624 /nfs/dbraw/zinc/42/36/24/654423624.db2.gz RXVQBBMRTAHKAJ-GFCCVEGCSA-N 1 0 393.285 2.386 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC[C@]1(C)C[C@]1(F)Cl)C2 ZINC000923065998 654426388 /nfs/dbraw/zinc/42/63/88/654426388.db2.gz GBDQRTAAORNVBX-MWVHIBPXSA-N 1 0 375.916 2.470 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)n1 ZINC000893859137 654428057 /nfs/dbraw/zinc/42/80/57/654428057.db2.gz JGIIKOYBQVIHFC-YPMHNXCESA-N 1 0 383.290 2.479 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ncc(Br)cn2)[C@H]1c1ccccc1 ZINC000893878602 654428797 /nfs/dbraw/zinc/42/87/97/654428797.db2.gz UBFXCGLJHYJUBK-GDBMZVCRSA-N 1 0 390.285 2.484 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000893936464 654431920 /nfs/dbraw/zinc/43/19/20/654431920.db2.gz WYZLHURSVZJTEK-QWRGUYRKSA-N 1 0 379.306 2.484 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)s1 ZINC000893944554 654432904 /nfs/dbraw/zinc/43/29/04/654432904.db2.gz OFWIQKYESJFLHB-UHFFFAOYSA-N 1 0 385.532 2.246 20 0 GEADRO Cn1cc(CN2CCC(CC[NH+](C)C)CC2)c(I)n1 ZINC000893969804 654435088 /nfs/dbraw/zinc/43/50/88/654435088.db2.gz QJNYRMHTZFFGAK-UHFFFAOYSA-N 1 0 376.286 2.188 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)nnn1-c1ccccc1Br ZINC000906409929 654435113 /nfs/dbraw/zinc/43/51/13/654435113.db2.gz HLSJVBFVZOQLTN-GFCCVEGCSA-N 1 0 390.285 2.305 20 0 GEADRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)nnn1-c1ccccc1Br ZINC000906409931 654435231 /nfs/dbraw/zinc/43/52/31/654435231.db2.gz HLSJVBFVZOQLTN-LBPRGKRZSA-N 1 0 390.285 2.305 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923303253 654442816 /nfs/dbraw/zinc/44/28/16/654442816.db2.gz ARYZPTNELCRYKS-ZDUSSCGKSA-N 1 0 384.307 2.130 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cn(C)nc1I ZINC000894054764 654443217 /nfs/dbraw/zinc/44/32/17/654443217.db2.gz NKWQNYPMQHDMEE-CYBMUJFWSA-N 1 0 376.286 2.331 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@H]1OC ZINC000894074543 654444605 /nfs/dbraw/zinc/44/46/05/654444605.db2.gz RZLRYDIJJWTIBM-UMVBOHGHSA-N 1 0 381.416 2.391 20 0 GEADRO COC(=O)c1cc(Br)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000923332333 654444910 /nfs/dbraw/zinc/44/49/10/654444910.db2.gz LEZGVLKORDFYKF-VZJVUDMVSA-N 1 0 383.286 2.413 20 0 GEADRO Cn1ncc(I)c1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000894087222 654445477 /nfs/dbraw/zinc/44/54/77/654445477.db2.gz VSSQDRJSMVELQC-CYBMUJFWSA-N 1 0 388.297 2.188 20 0 GEADRO O=C(c1nscc1I)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000906522020 654446221 /nfs/dbraw/zinc/44/62/21/654446221.db2.gz DUVMJGZRZQEQSH-SECBINFHSA-N 1 0 377.251 2.058 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000873671989 654446928 /nfs/dbraw/zinc/44/69/28/654446928.db2.gz ZGOGZHVUOIVTFY-OCCSQVGLSA-N 1 0 396.285 2.139 20 0 GEADRO Fc1ccc([C@H]2CN(C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)cc1Br ZINC000923370905 654447328 /nfs/dbraw/zinc/44/73/28/654447328.db2.gz KSEIKGCSAQSRFR-XJKSGUPXSA-N 1 0 385.277 2.340 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(c3nc4cc(Br)ccc4o3)CC2)CCN1 ZINC000894110972 654447528 /nfs/dbraw/zinc/44/75/28/654447528.db2.gz VWQHPSHPGJUTGZ-ZDUSSCGKSA-N 1 0 393.285 2.381 20 0 GEADRO COCC[NH2+]C1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923389680 654448507 /nfs/dbraw/zinc/44/85/07/654448507.db2.gz VQZFUARWDBVBPY-CQSZACIVSA-N 1 0 377.312 2.434 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cc(Cl)cc2Br)C1 ZINC000873687047 654448744 /nfs/dbraw/zinc/44/87/44/654448744.db2.gz WGBMMFIBUPGWQW-VIFPVBQESA-N 1 0 392.656 2.391 20 0 GEADRO [NH3+][C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC[C@H]1F ZINC000923394866 654449030 /nfs/dbraw/zinc/44/90/30/654449030.db2.gz HBUFHTVOGQGXQX-RAIGVLPGSA-N 1 0 381.673 2.213 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2OC)C1 ZINC000873687910 654449251 /nfs/dbraw/zinc/44/92/51/654449251.db2.gz LJOCJUPLJANNPU-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000906572881 654449873 /nfs/dbraw/zinc/44/98/73/654449873.db2.gz LZFBLFKDTCVIBC-CQSZACIVSA-N 1 0 382.917 2.487 20 0 GEADRO CCc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000873711600 654452447 /nfs/dbraw/zinc/45/24/47/654452447.db2.gz JPMAVUSKMWHZEZ-ZDUSSCGKSA-N 1 0 382.302 2.360 20 0 GEADRO CC(C)C(=O)N1CCC([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894170640 654452813 /nfs/dbraw/zinc/45/28/13/654452813.db2.gz XUHXWNJQYSRYHI-UHFFFAOYSA-N 1 0 386.949 2.370 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873717919 654453810 /nfs/dbraw/zinc/45/38/10/654453810.db2.gz HJMHYEDJAPRBII-MNOVXSKESA-N 1 0 390.242 2.050 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CC(=O)Nc1ccccc1I ZINC000923445980 654453758 /nfs/dbraw/zinc/45/37/58/654453758.db2.gz XNEHBCRNZIDNDS-GRYCIOLGSA-N 1 0 387.265 2.300 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906619916 654454087 /nfs/dbraw/zinc/45/40/87/654454087.db2.gz UDJXMSHRLVMUDX-LLVKDONJSA-N 1 0 375.724 2.113 20 0 GEADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)cc2OC)CC1 ZINC000873721200 654454111 /nfs/dbraw/zinc/45/41/11/654454111.db2.gz KBAFQUUMCNLVRP-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)cn(C2CC2)c1=O ZINC000906618565 654454144 /nfs/dbraw/zinc/45/41/44/654454144.db2.gz XRBUYOKFJRRDON-CYBMUJFWSA-N 1 0 380.286 2.160 20 0 GEADRO [NH3+][C@@]1(CO)CCCN(Cc2cc(Cl)ccc2I)C1 ZINC000923473991 654454579 /nfs/dbraw/zinc/45/45/79/654454579.db2.gz DWNZJPARFNENPX-ZDUSSCGKSA-N 1 0 380.657 2.230 20 0 GEADRO C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(I)cc1 ZINC000906633083 654455203 /nfs/dbraw/zinc/45/52/03/654455203.db2.gz DXFSTYQDSOUDKQ-YUTCNCBUSA-N 1 0 384.261 2.463 20 0 GEADRO Cc1noc2ncc(C[NH2+]CCNS(=O)(=O)c3cccc(Cl)c3)cc12 ZINC000894207567 654455642 /nfs/dbraw/zinc/45/56/42/654455642.db2.gz SGFBQLCWFXWIPF-UHFFFAOYSA-N 1 0 380.857 2.253 20 0 GEADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCn2ncc(Br)c2C1 ZINC000856012675 654456521 /nfs/dbraw/zinc/45/65/21/654456521.db2.gz AIXPWZXZLDRYKR-ZDUSSCGKSA-N 1 0 399.358 2.205 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2OC)C1 ZINC000873739636 654456742 /nfs/dbraw/zinc/45/67/42/654456742.db2.gz KIOYJZBDNLTWTC-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000873743462 654457211 /nfs/dbraw/zinc/45/72/11/654457211.db2.gz BFFLHIPXDYIMMO-NSHDSACASA-N 1 0 396.285 2.048 20 0 GEADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000906657994 654457370 /nfs/dbraw/zinc/45/73/70/654457370.db2.gz AWMRKEBCLCFJJP-KFWWJZLASA-N 1 0 379.551 2.315 20 0 GEADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000906687989 654460198 /nfs/dbraw/zinc/46/01/98/654460198.db2.gz AROOEFIHHNZWRK-UHFFFAOYSA-N 1 0 383.290 2.006 20 0 GEADRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c(I)cnn1C ZINC000894259014 654460542 /nfs/dbraw/zinc/46/05/42/654460542.db2.gz OXZQHNGOGXJWQC-FZMZJTMJSA-N 1 0 385.249 2.279 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2I)C12CCC2 ZINC000894270445 654460954 /nfs/dbraw/zinc/46/09/54/654460954.db2.gz ZWUVAJKAWLMSIL-VXGBXAGGSA-N 1 0 375.254 2.462 20 0 GEADRO C[C@H]([NH2+][C@@H]1COc2cc(F)c(Br)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000894263228 654461117 /nfs/dbraw/zinc/46/11/17/654461117.db2.gz PAXGXHOXRSQSLX-MWODSPESSA-N 1 0 378.263 2.435 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894274004 654461482 /nfs/dbraw/zinc/46/14/82/654461482.db2.gz RBDVCLIPHGPJNJ-STQMWFEESA-N 1 0 386.949 2.370 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cc2c(cccc2O)s1)NC[C@@H]1CCCCO1 ZINC000894276037 654461626 /nfs/dbraw/zinc/46/16/26/654461626.db2.gz MCRXDRUMAVIWKL-ZDUSSCGKSA-N 1 0 384.523 2.185 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894274002 654461641 /nfs/dbraw/zinc/46/16/41/654461641.db2.gz RBDVCLIPHGPJNJ-QWHCGFSZSA-N 1 0 386.949 2.370 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000906699069 654462040 /nfs/dbraw/zinc/46/20/40/654462040.db2.gz BVESMFQMOCZRLS-ZDUSSCGKSA-N 1 0 391.269 2.050 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000906701994 654462484 /nfs/dbraw/zinc/46/24/84/654462484.db2.gz UKWGHYGIIZWGMJ-LLVKDONJSA-N 1 0 392.656 2.294 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000894291604 654462654 /nfs/dbraw/zinc/46/26/54/654462654.db2.gz DCDUALVOFFPKTB-CYBMUJFWSA-N 1 0 375.922 2.166 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894286514 654462660 /nfs/dbraw/zinc/46/26/60/654462660.db2.gz DGJIYAGNKMANAY-ZYHUDNBSSA-N 1 0 399.456 2.022 20 0 GEADRO C[C@H]1CSCCCN1C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000906721587 654464225 /nfs/dbraw/zinc/46/42/25/654464225.db2.gz MVCAFSLSMHBNCD-JTQLQIEISA-N 1 0 375.416 2.457 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906724476 654464599 /nfs/dbraw/zinc/46/45/99/654464599.db2.gz HERSAQBZEGMGBE-FRRDWIJNSA-N 1 0 396.285 2.184 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906727227 654465202 /nfs/dbraw/zinc/46/52/02/654465202.db2.gz MRPAGQGVWLFPFW-ISROVCFRSA-N 1 0 390.640 2.189 20 0 GEADRO O=C(Nc1ccc(OC(F)(F)F)cc1Cl)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906733623 654465538 /nfs/dbraw/zinc/46/55/38/654465538.db2.gz ZFGUPZGFOWKVHU-VSYUYLJXSA-N 1 0 377.750 2.186 20 0 GEADRO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000906738070 654466336 /nfs/dbraw/zinc/46/63/36/654466336.db2.gz HVVGESXWBXPXLA-SECBINFHSA-N 1 0 390.228 2.314 20 0 GEADRO CO[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)c1ccc(Br)s1 ZINC000906737694 654466398 /nfs/dbraw/zinc/46/63/98/654466398.db2.gz DIASGJJDOYTYRX-CQSZACIVSA-N 1 0 391.331 2.161 20 0 GEADRO Cc1cc(OCC(=O)NCCC[NH+]2CCC(O)CC2)ccc1Br ZINC000906738667 654466500 /nfs/dbraw/zinc/46/65/00/654466500.db2.gz LIDACHIWZGFPTN-UHFFFAOYSA-N 1 0 385.302 2.099 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906755251 654468430 /nfs/dbraw/zinc/46/84/30/654468430.db2.gz ANCFOPBSDIYPKV-HNNXBMFYSA-N 1 0 386.677 2.396 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(F)c(Br)cc1F)C2 ZINC000906754951 654468458 /nfs/dbraw/zinc/46/84/58/654468458.db2.gz HVEWHXWYIPVAMJ-YIZRAAEISA-N 1 0 388.212 2.004 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000894358212 654468865 /nfs/dbraw/zinc/46/88/65/654468865.db2.gz DIQCKGAGWXCFLC-CYBMUJFWSA-N 1 0 379.917 2.397 20 0 GEADRO C[C@H]([NH2+]Cc1c(I)cnn1C)[C@H](O)Cc1ccccc1 ZINC000894357850 654468990 /nfs/dbraw/zinc/46/89/90/654468990.db2.gz BVSGQEZTZRUGAU-XHDPSFHLSA-N 1 0 385.249 2.106 20 0 GEADRO O[C@@H]1C[NH2+]C[C@H]1N(Cc1ccccc1)Cc1ncc(Br)cc1F ZINC000923559733 654469232 /nfs/dbraw/zinc/46/92/32/654469232.db2.gz RYAXEIKUTJKMCZ-IAGOWNOFSA-N 1 0 380.261 2.318 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNCc2cn(C)nc2I)C1 ZINC000894358981 654469383 /nfs/dbraw/zinc/46/93/83/654469383.db2.gz KWZBEECOEGEPBE-CYBMUJFWSA-N 1 0 390.313 2.482 20 0 GEADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906766196 654469622 /nfs/dbraw/zinc/46/96/22/654469622.db2.gz NLGLKTXNWRXQEG-OAHLLOKOSA-N 1 0 382.302 2.358 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764844 654469641 /nfs/dbraw/zinc/46/96/41/654469641.db2.gz JPDQYUWPVWTODU-OAHLLOKOSA-N 1 0 388.212 2.020 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000873824032 654469624 /nfs/dbraw/zinc/46/96/24/654469624.db2.gz RALBABCPRDLOMK-CYBMUJFWSA-N 1 0 396.285 2.091 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000894368477 654470381 /nfs/dbraw/zinc/47/03/81/654470381.db2.gz RCIOEBKGWUYLHQ-CYBMUJFWSA-N 1 0 377.270 2.446 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)c1Br ZINC000906771766 654470582 /nfs/dbraw/zinc/47/05/82/654470582.db2.gz NKOXFLVXEUJLQE-INIZCTEOSA-N 1 0 384.249 2.190 20 0 GEADRO COC(=O)[C@H]1[C@H](C[NH2+]CC(=O)Nc2ccc(Br)cc2)C1(F)F ZINC000894375355 654470735 /nfs/dbraw/zinc/47/07/35/654470735.db2.gz JVKYJGSOKQZXHF-CMPLNLGQSA-N 1 0 377.185 2.032 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000873840224 654471324 /nfs/dbraw/zinc/47/13/24/654471324.db2.gz VIMZVYWUYRLFRX-NSHDSACASA-N 1 0 396.285 2.163 20 0 GEADRO C[C@H](NC(=O)Cc1cc(Br)ccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000906779113 654471365 /nfs/dbraw/zinc/47/13/65/654471365.db2.gz NNXMLTMYJWCTFF-XHDPSFHLSA-N 1 0 388.737 2.396 20 0 GEADRO C[C@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000906783227 654471897 /nfs/dbraw/zinc/47/18/97/654471897.db2.gz ZCWWPEMLFLGAHF-WFASDCNBSA-N 1 0 381.933 2.010 20 0 GEADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923629166 654472730 /nfs/dbraw/zinc/47/27/30/654472730.db2.gz YBDXISOTCVCDED-CQSZACIVSA-N 1 0 380.539 2.261 20 0 GEADRO O=C(CSc1nc2ccccc2s1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254065 654473175 /nfs/dbraw/zinc/47/31/75/654473175.db2.gz JKGXCLXUAQXHNR-CQSZACIVSA-N 1 0 377.535 2.446 20 0 GEADRO O=C(CSc1nc2ccccc2s1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254064 654473273 /nfs/dbraw/zinc/47/32/73/654473273.db2.gz JKGXCLXUAQXHNR-AWEZNQCLSA-N 1 0 377.535 2.446 20 0 GEADRO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000923660488 654474100 /nfs/dbraw/zinc/47/41/00/654474100.db2.gz VTDDEWMITRRATO-LLVKDONJSA-N 1 0 377.279 2.028 20 0 GEADRO COc1c(F)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000923661006 654474237 /nfs/dbraw/zinc/47/42/37/654474237.db2.gz HOGOWSOFLMUIHO-SCZZXKLOSA-N 1 0 388.358 2.121 20 0 GEADRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2nc3cc(Br)cnc3[nH]2)C1 ZINC000906807812 654474264 /nfs/dbraw/zinc/47/42/64/654474264.db2.gz ZQFTUGMVDSCLOL-LLVKDONJSA-N 1 0 380.290 2.459 20 0 GEADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000923673530 654475563 /nfs/dbraw/zinc/47/55/63/654475563.db2.gz GGWKYVKZRIQMIY-UHFFFAOYSA-N 1 0 385.486 2.275 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)Cc1ccc(F)c(Cl)c1)CC2 ZINC000923687316 654476776 /nfs/dbraw/zinc/47/67/76/654476776.db2.gz JQBYGWFXOYKIBN-ZDUSSCGKSA-N 1 0 376.881 2.139 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923687661 654477218 /nfs/dbraw/zinc/47/72/18/654477218.db2.gz NSXBWLVOFNPOPW-OAHLLOKOSA-N 1 0 388.917 2.005 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)Cc1cc(F)ccc1Cl)CC2 ZINC000923687813 654477246 /nfs/dbraw/zinc/47/72/46/654477246.db2.gz MTZLZGPCCGCRRP-AWEZNQCLSA-N 1 0 376.881 2.139 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(Br)s1)CC2 ZINC000923687718 654477259 /nfs/dbraw/zinc/47/72/59/654477259.db2.gz ZRZSREWMRVNPLO-SNVBAGLBSA-N 1 0 395.344 2.029 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCc2cnc(Cl)s2)CC1 ZINC000923692419 654477627 /nfs/dbraw/zinc/47/76/27/654477627.db2.gz AQIWVLKUNAMCJN-KBPBESRZSA-N 1 0 385.965 2.497 20 0 GEADRO C[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CC[C@H]1C[NH3+] ZINC000923699165 654478653 /nfs/dbraw/zinc/47/86/53/654478653.db2.gz HLWBLEHVKPUOGB-QWRGUYRKSA-N 1 0 379.295 2.335 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923700504 654478965 /nfs/dbraw/zinc/47/89/65/654478965.db2.gz BGWKZDQQDMJCHT-VHSXEESVSA-N 1 0 395.294 2.202 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c(Br)c1 ZINC000923702724 654479265 /nfs/dbraw/zinc/47/92/65/654479265.db2.gz MVNJJIVJCCJGNX-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873899000 654479439 /nfs/dbraw/zinc/47/94/39/654479439.db2.gz OBMDKEPFJDFUCJ-LLVKDONJSA-N 1 0 392.258 2.034 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC[C@H]1C[NH3+] ZINC000923704028 654479575 /nfs/dbraw/zinc/47/95/75/654479575.db2.gz QVDKAZZSHCTSOY-BDAKNGLRSA-N 1 0 383.258 2.333 20 0 GEADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1nccn2c(Br)cnc12 ZINC000856416128 654480323 /nfs/dbraw/zinc/48/03/23/654480323.db2.gz NMGWYCKHCIAERS-UHFFFAOYSA-N 1 0 392.301 2.344 20 0 GEADRO Cc1nc(Br)sc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856430716 654481205 /nfs/dbraw/zinc/48/12/05/654481205.db2.gz LARKXDFQZUWFPN-NSHDSACASA-N 1 0 376.320 2.397 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c(Br)c1 ZINC000923736684 654481706 /nfs/dbraw/zinc/48/17/06/654481706.db2.gz UBKHHYIKSVPPGJ-HNNXBMFYSA-N 1 0 389.315 2.364 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000923735990 654481869 /nfs/dbraw/zinc/48/18/69/654481869.db2.gz NUFMIILMMFTZEX-HNNXBMFYSA-N 1 0 389.315 2.364 20 0 GEADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000923742852 654482624 /nfs/dbraw/zinc/48/26/24/654482624.db2.gz VZOGBPBONPYZDN-DRQUAOQDSA-N 1 0 396.925 2.387 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c(Br)nc2n1CCC2 ZINC000856476338 654482911 /nfs/dbraw/zinc/48/29/11/654482911.db2.gz VRPITXNBRQPNPS-ZDUSSCGKSA-N 1 0 381.318 2.444 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906888507 654483164 /nfs/dbraw/zinc/48/31/64/654483164.db2.gz DKGPEUBBPIXARW-GFCCVEGCSA-N 1 0 375.724 2.113 20 0 GEADRO C[C@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1cccc(Br)c1 ZINC000923793863 654483649 /nfs/dbraw/zinc/48/36/49/654483649.db2.gz DAOQUEBCZFSIQD-LBPRGKRZSA-N 1 0 399.285 2.430 20 0 GEADRO C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000923794877 654483733 /nfs/dbraw/zinc/48/37/33/654483733.db2.gz GMJBQDIEEKKCMW-SNVBAGLBSA-N 1 0 390.267 2.369 20 0 GEADRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cn(C)nc1I ZINC000894542401 654484413 /nfs/dbraw/zinc/48/44/13/654484413.db2.gz XXAKFOFHCJXGJL-AWEZNQCLSA-N 1 0 377.270 2.398 20 0 GEADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)ccn1 ZINC000856539529 654484749 /nfs/dbraw/zinc/48/47/49/654484749.db2.gz DUBDKOLOZJIVGG-MRXNPFEDSA-N 1 0 381.523 2.437 20 0 GEADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H]3CSCCS3)C2)ccn1 ZINC000856631950 654485533 /nfs/dbraw/zinc/48/55/33/654485533.db2.gz OIVOFIGYCIGZEE-DLBZAZTESA-N 1 0 381.567 2.362 20 0 GEADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CSCCS3)C2)ccn1 ZINC000856631953 654485618 /nfs/dbraw/zinc/48/56/18/654485618.db2.gz OIVOFIGYCIGZEE-SJORKVTESA-N 1 0 381.567 2.362 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)cc1OC)[C@H]1CC[N@H+](CC)C1 ZINC000873939479 654485871 /nfs/dbraw/zinc/48/58/71/654485871.db2.gz CORHGKXEYLITQK-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO CCOC(=O)C1(C[NH2+]Cc2cn(C)nc2I)CCCC1 ZINC000894553884 654485948 /nfs/dbraw/zinc/48/59/48/654485948.db2.gz PNEBBCZRXPXDAX-UHFFFAOYSA-N 1 0 391.253 2.238 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)oc1Cl ZINC000906914311 654486970 /nfs/dbraw/zinc/48/69/70/654486970.db2.gz ZLTQIHQIULQEMP-GFCCVEGCSA-N 1 0 390.889 2.359 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000894564605 654487083 /nfs/dbraw/zinc/48/70/83/654487083.db2.gz UEGNXIFMCVAHSU-GOEBONIOSA-N 1 0 382.302 2.061 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)oc1Cl ZINC000906927848 654488743 /nfs/dbraw/zinc/48/87/43/654488743.db2.gz GBGXGOHIJWRFIR-GFCCVEGCSA-N 1 0 390.889 2.359 20 0 GEADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000894684145 654494240 /nfs/dbraw/zinc/49/42/40/654494240.db2.gz SNFDGCYSNFCXMN-NWDGAFQWSA-N 1 0 376.254 2.331 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906971517 654494462 /nfs/dbraw/zinc/49/44/62/654494462.db2.gz JVNMFONBIDMMGH-MEBBXXQBSA-N 1 0 380.286 2.158 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)c1 ZINC000894716064 654495193 /nfs/dbraw/zinc/49/51/93/654495193.db2.gz UBVBIAWRNBPFLQ-UHFFFAOYSA-N 1 0 379.503 2.185 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)c1cc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000906987451 654496273 /nfs/dbraw/zinc/49/62/73/654496273.db2.gz LBVMRYORLRXCQY-MRXNPFEDSA-N 1 0 381.567 2.452 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)NCC[C@H]2CC2(Cl)Cl)ccn1 ZINC000856845991 654497373 /nfs/dbraw/zinc/49/73/73/654497373.db2.gz YQHLMABXDIFFPU-ZDUSSCGKSA-N 1 0 375.300 2.405 20 0 GEADRO C[NH+](C)CCN(Cc1sc(N2CCOCC2)nc1Cl)C[C@H]1CCCO1 ZINC000894767256 654498076 /nfs/dbraw/zinc/49/80/76/654498076.db2.gz YLARBUDAPVEUMD-CQSZACIVSA-N 1 0 388.965 2.176 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000856868658 654498298 /nfs/dbraw/zinc/49/82/98/654498298.db2.gz AYAYRBZQEUTQDU-DOMZBBRYSA-N 1 0 382.302 2.145 20 0 GEADRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894780362 654498398 /nfs/dbraw/zinc/49/83/98/654498398.db2.gz BHLBEOIPHQTACH-AWEZNQCLSA-N 1 0 386.949 2.371 20 0 GEADRO C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000924045629 654498726 /nfs/dbraw/zinc/49/87/26/654498726.db2.gz PAGVLCORZDQXNO-HNNXBMFYSA-N 1 0 378.274 2.138 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](CO)C2CCCCC2)c(I)n1 ZINC000894861357 654502713 /nfs/dbraw/zinc/50/27/13/654502713.db2.gz GERSFSNQFFLBJC-ZDUSSCGKSA-N 1 0 377.270 2.303 20 0 GEADRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1nc(Br)nn1C ZINC000894869066 654503386 /nfs/dbraw/zinc/50/33/86/654503386.db2.gz NVQBGGVJZXUVCH-SNVBAGLBSA-N 1 0 376.299 2.361 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]1COCO1 ZINC000894876936 654503524 /nfs/dbraw/zinc/50/35/24/654503524.db2.gz XQVNQPRVLUREJI-ZDUSSCGKSA-N 1 0 388.258 2.162 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccn2ncc(Br)c12 ZINC000907067427 654506587 /nfs/dbraw/zinc/50/65/87/654506587.db2.gz GLPQYOAUNSXPGL-CYBMUJFWSA-N 1 0 395.301 2.064 20 0 GEADRO Cc1cc(OCC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1Br ZINC000907068767 654506617 /nfs/dbraw/zinc/50/66/17/654506617.db2.gz QEVQXCHIBJADOA-OAHLLOKOSA-N 1 0 399.329 2.489 20 0 GEADRO C[C@H](NC(=O)c1cnnn1-c1cc(Cl)ccc1Cl)[C@@H]1CN(C)CCO1 ZINC000907070024 654507068 /nfs/dbraw/zinc/50/70/68/654507068.db2.gz BSDWIXJUUXBNOM-BONVTDFDSA-N 1 0 384.267 2.023 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)c2sccc2S(=O)(=O)N(C)C)CC1 ZINC000924382930 654511850 /nfs/dbraw/zinc/51/18/50/654511850.db2.gz ADVKNHMKHKLQTC-UHFFFAOYSA-N 1 0 385.555 2.089 20 0 GEADRO CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 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COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2cnnn2C)c1 ZINC000925016588 654531535 /nfs/dbraw/zinc/53/15/35/654531535.db2.gz QUQVNIOOUQGXTM-NSHDSACASA-N 1 0 396.289 2.057 20 0 GEADRO O=S(=O)(CCc1ccccc1Cl)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907328930 654532378 /nfs/dbraw/zinc/53/23/78/654532378.db2.gz JJAXRVYXNAOQPV-UHFFFAOYSA-N 1 0 386.945 2.445 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CN1C(=O)N[C@H](c2ccc(OC)c(Br)c2)C1=O ZINC000925095190 654533701 /nfs/dbraw/zinc/53/37/01/654533701.db2.gz HAIWMOXGVGQEGA-BXUZGUMPSA-N 1 0 382.258 2.145 20 0 GEADRO CC[N@@H+]1CC[C@H]1CN1C(=O)N[C@H](c2ccc(OC)c(Br)c2)C1=O ZINC000925095201 654533827 /nfs/dbraw/zinc/53/38/27/654533827.db2.gz HAIWMOXGVGQEGA-SMDDNHRTSA-N 1 0 382.258 2.145 20 0 GEADRO CCn1cnc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000907345718 654534273 /nfs/dbraw/zinc/53/42/73/654534273.db2.gz IVYQQFPWXPQYOM-OAHLLOKOSA-N 1 0 382.555 2.416 20 0 GEADRO O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925172221 654536090 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20 0 GEADRO C[C@@H]1[C@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000925318640 654541403 /nfs/dbraw/zinc/54/14/03/654541403.db2.gz GSQUHJJQXVKKGJ-NTZNESFSSA-N 1 0 376.284 2.125 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000925331797 654541623 /nfs/dbraw/zinc/54/16/23/654541623.db2.gz HTTDDKRAYUAPDF-MFKMUULPSA-N 1 0 376.320 2.107 20 0 GEADRO CC[N@@H+]1CC[C@H](N2C(=O)N[C@@]3(CCc4cc(Br)ccc4C3)C2=O)C1 ZINC000925324080 654541716 /nfs/dbraw/zinc/54/17/16/654541716.db2.gz UHKBOSZVIINYLF-MAUKXSAKSA-N 1 0 392.297 2.323 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000925359010 654542570 /nfs/dbraw/zinc/54/25/70/654542570.db2.gz JSPOMFAQYCLADV-AWEZNQCLSA-N 1 0 388.331 2.237 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)NC[C@@H]1CC[N@@H+]1C)C2 ZINC000925433901 654544720 /nfs/dbraw/zinc/54/47/20/654544720.db2.gz GYMGCDJXWSQWRN-QMMMGPOBSA-N 1 0 388.287 2.027 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)s1 ZINC000925579788 654546317 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C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(SCC(F)F)cc1 ZINC000925790267 654550021 /nfs/dbraw/zinc/55/00/21/654550021.db2.gz ASJFGIVCELVRML-WFASDCNBSA-N 1 0 378.510 2.471 20 0 GEADRO CC[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(OC(F)(F)F)cc1 ZINC000925789997 654550126 /nfs/dbraw/zinc/55/01/26/654550126.db2.gz ZRBRECQHBRBRKI-GJZGRUSLSA-N 1 0 380.432 2.403 20 0 GEADRO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(F)cc1Br ZINC000925798343 654550405 /nfs/dbraw/zinc/55/04/05/654550405.db2.gz PXLXHDIGURQONU-CMPLNLGQSA-N 1 0 379.295 2.016 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)CC2 ZINC000907523809 654553320 /nfs/dbraw/zinc/55/33/20/654553320.db2.gz YSUHHYIPFPLQFV-SFHVURJKSA-N 1 0 381.314 2.489 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000925960502 654555074 /nfs/dbraw/zinc/55/50/74/654555074.db2.gz NDNPTPWDTFMEBD-OLZOCXBDSA-N 1 0 397.317 2.263 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000926086728 654558427 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CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ncc(Br)s1)C2 ZINC000926151006 654561062 /nfs/dbraw/zinc/56/10/62/654561062.db2.gz QXNNDWCELMESNA-DSKWVYQCSA-N 1 0 388.331 2.115 20 0 GEADRO Cn1cc(C(=O)Nc2ccccc2CC[NH+](C)C)c(I)n1 ZINC000907615622 654561183 /nfs/dbraw/zinc/56/11/83/654561183.db2.gz ZNBHBEBEBJVBFZ-UHFFFAOYSA-N 1 0 398.248 2.381 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1scnc1Br)C2 ZINC000926167197 654562000 /nfs/dbraw/zinc/56/20/00/654562000.db2.gz RXODGPOENDEVSZ-FCIGDQIPSA-N 1 0 388.331 2.115 20 0 GEADRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926254581 654564700 /nfs/dbraw/zinc/56/47/00/654564700.db2.gz LXMIUKNMZQVIGL-CYBMUJFWSA-N 1 0 376.469 2.480 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926280458 654565657 /nfs/dbraw/zinc/56/56/57/654565657.db2.gz GUZITSHJDCSQFL-GOSISDBHSA-N 1 0 394.313 2.152 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926300890 654567744 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GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000926447677 654571093 /nfs/dbraw/zinc/57/10/93/654571093.db2.gz RSJAMTFQIXLTJR-MRXNPFEDSA-N 1 0 392.297 2.358 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]C2CCN(OC)CC2)cc1Br ZINC000926537483 654574225 /nfs/dbraw/zinc/57/42/25/654574225.db2.gz LVYVRNSUXZVVFF-AWEZNQCLSA-N 1 0 387.318 2.224 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1Br ZINC000926541373 654574508 /nfs/dbraw/zinc/57/45/08/654574508.db2.gz OWQJUMJDZULPSR-ZLDLUXBVSA-N 1 0 395.301 2.496 20 0 GEADRO C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926697333 654580427 /nfs/dbraw/zinc/58/04/27/654580427.db2.gz YYMSIDBDKCQALQ-STQMWFEESA-N 1 0 376.469 2.382 20 0 GEADRO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926735204 654580969 /nfs/dbraw/zinc/58/09/69/654580969.db2.gz DIKQBXAYUPSMML-CMPLNLGQSA-N 1 0 379.309 2.180 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000926784008 654582231 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382.306 2.014 20 0 GEADRO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000927118976 654594870 /nfs/dbraw/zinc/59/48/70/654594870.db2.gz HRXMBROTMVOOKD-UNEWFSDZSA-N 1 0 386.539 2.253 20 0 GEADRO Cc1cccc(NCCNC(=O)NCC2(n3cc(Br)cn3)CC2)n1 ZINC000927120330 654594906 /nfs/dbraw/zinc/59/49/06/654594906.db2.gz OGXQYSSCJBGJAE-UHFFFAOYSA-N 1 0 393.289 2.249 20 0 GEADRO C[NH+](C)C[C@@H]1NC(=O)N(c2ccc(Br)c(C(F)(F)F)c2)C1=O ZINC000927177970 654595581 /nfs/dbraw/zinc/59/55/81/654595581.db2.gz GWBUKWZJCCHUAE-JTQLQIEISA-N 1 0 380.164 2.454 20 0 GEADRO Cn1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(Br)n1 ZINC000927629619 654607625 /nfs/dbraw/zinc/60/76/25/654607625.db2.gz JWGLSAOOTNZUQU-AWEZNQCLSA-N 1 0 392.301 2.106 20 0 GEADRO CN(Cc1cc(Br)cn1C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927646585 654609808 /nfs/dbraw/zinc/60/98/08/654609808.db2.gz UEJPARPFMGORQN-HNNXBMFYSA-N 1 0 399.333 2.182 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc(Br)cc1C(F)(F)F ZINC000927789975 654614322 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2.025 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2nc(C3CCC3)cs2)CC[C@H]1C(F)(F)F ZINC000927846001 654616953 /nfs/dbraw/zinc/61/69/53/654616953.db2.gz PCGBBCKLZBKGQG-NXEZZACHSA-N 1 0 376.404 2.087 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl ZINC000927847900 654617161 /nfs/dbraw/zinc/61/71/61/654617161.db2.gz OIFGZJPRZJPIRY-ONGXEEELSA-N 1 0 379.766 2.025 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000927869317 654618547 /nfs/dbraw/zinc/61/85/47/654618547.db2.gz ZAXVZTTZIRXQMZ-RHSMWYFYSA-N 1 0 398.276 2.484 20 0 GEADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000927882198 654619292 /nfs/dbraw/zinc/61/92/92/654619292.db2.gz KZUNRYOIZATOPV-KRWDZBQOSA-N 1 0 385.917 2.091 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000927888998 654619817 /nfs/dbraw/zinc/61/98/17/654619817.db2.gz KBFWPQLDYCXSFB-JTQLQIEISA-N 1 0 375.803 2.120 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC000927888497 654619842 /nfs/dbraw/zinc/61/98/42/654619842.db2.gz ALVKAASSTXHUSR-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000927888945 654619855 /nfs/dbraw/zinc/61/98/55/654619855.db2.gz JIDDDXJGSCPPPD-QMMMGPOBSA-N 1 0 392.656 2.377 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC[C@@H]1C[NH3+] ZINC000927889433 654620086 /nfs/dbraw/zinc/62/00/86/654620086.db2.gz FDGPOVPDPYXMOJ-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000927890516 654620233 /nfs/dbraw/zinc/62/02/33/654620233.db2.gz JJEBXKVNNZFRBU-WDEREUQCSA-N 1 0 386.265 2.278 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000927890438 654620305 /nfs/dbraw/zinc/62/03/05/654620305.db2.gz AQFICODQNVZJOH-RYUDHWBXSA-N 1 0 398.301 2.230 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC000927892719 654620684 /nfs/dbraw/zinc/62/06/84/654620684.db2.gz YPJKDXQHUOYJQX-MWLCHTKSSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC000927892716 654620700 /nfs/dbraw/zinc/62/07/00/654620700.db2.gz YPJKDXQHUOYJQX-KOLCDFICSA-N 1 0 386.265 2.278 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000927925652 654621794 /nfs/dbraw/zinc/62/17/94/654621794.db2.gz VCCNWOPUXKURFW-INIZCTEOSA-N 1 0 384.249 2.271 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927928844 654622079 /nfs/dbraw/zinc/62/20/79/654622079.db2.gz SKMQSSAVTRGAQT-MRXNPFEDSA-N 1 0 384.249 2.271 20 0 GEADRO CC1(C)CN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c2cc(Br)ccc21 ZINC000927929872 654622324 /nfs/dbraw/zinc/62/23/24/654622324.db2.gz OHXIYTGMLGSWBS-YPMHNXCESA-N 1 0 394.313 2.317 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000908406006 654626925 /nfs/dbraw/zinc/62/69/25/654626925.db2.gz DHMPYWCUWYLQFZ-UHFFFAOYSA-N 1 0 392.301 2.067 20 0 GEADRO 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C[C@H]1CN(Cc2c(I)cnn2C)CC[N@@H+](C2CCC2)C1 ZINC000930559347 654713488 /nfs/dbraw/zinc/71/34/88/654713488.db2.gz OSDUDQCIDRWUQW-LBPRGKRZSA-N 1 0 388.297 2.331 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@]3(CCSC3)C2)CCC1 ZINC000930662832 654716272 /nfs/dbraw/zinc/71/62/72/654716272.db2.gz BYFLTWVFCHNNCI-WBVHZDCISA-N 1 0 390.615 2.207 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000911058555 654716454 /nfs/dbraw/zinc/71/64/54/654716454.db2.gz BMJCQDSQENCBTF-LBPRGKRZSA-N 1 0 380.901 2.166 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000930683933 654716894 /nfs/dbraw/zinc/71/68/94/654716894.db2.gz LLBPTPMPAUSRPD-UHFFFAOYSA-N 1 0 393.285 2.187 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)c2nscc2I)CC1 ZINC000911190856 654719226 /nfs/dbraw/zinc/71/92/26/654719226.db2.gz RXWJECONDQXWFS-UHFFFAOYSA-N 1 0 379.267 2.350 20 0 GEADRO COc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)ncc1Br ZINC000930789150 654719862 /nfs/dbraw/zinc/71/98/62/654719862.db2.gz NMCPLYZTSZDZFH-LBPRGKRZSA-N 1 0 399.289 2.228 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC[C@H]1C[NH3+] ZINC000911325986 654722369 /nfs/dbraw/zinc/72/23/69/654722369.db2.gz ZAOINWMBMROACP-OLZOCXBDSA-N 1 0 386.323 2.486 20 0 GEADRO [NH3+][C@H]1CN(C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000911333128 654722437 /nfs/dbraw/zinc/72/24/37/654722437.db2.gz RFKSUSZDLMIXQE-SKDRFNHKSA-N 1 0 398.212 2.348 20 0 GEADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C(=O)NCc2cscc2Cl)C1 ZINC000911367617 654723317 /nfs/dbraw/zinc/72/33/17/654723317.db2.gz LMPYJIDNHRHFFX-UJKQEGAGSA-N 1 0 377.897 2.193 20 0 GEADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000930921649 654723454 /nfs/dbraw/zinc/72/34/54/654723454.db2.gz GBMCSHRYTMGGGC-GFCCVEGCSA-N 1 0 379.258 2.349 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1=O ZINC000930941748 654724360 /nfs/dbraw/zinc/72/43/60/654724360.db2.gz XKUFSDAMZNLIQP-UHFFFAOYSA-N 1 0 396.329 2.486 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000911528768 654725397 /nfs/dbraw/zinc/72/53/97/654725397.db2.gz RJJRHGRQEXZKLX-OAHLLOKOSA-N 1 0 377.535 2.453 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000911560108 654726199 /nfs/dbraw/zinc/72/61/99/654726199.db2.gz KSEGPSXJERPUNF-MKBNYLNASA-N 1 0 375.519 2.137 20 0 GEADRO CCN(C(=O)C(=O)NCc1ccccc1SC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000911576496 654726890 /nfs/dbraw/zinc/72/68/90/654726890.db2.gz QSHZMIRZWIRSMB-GFCCVEGCSA-N 1 0 375.416 2.125 20 0 GEADRO Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)nnn1-c1ccccc1Br ZINC000911721227 654730646 /nfs/dbraw/zinc/73/06/46/654730646.db2.gz UKUPAGMLDFAPEX-DGCLKSJQSA-N 1 0 392.301 2.456 20 0 GEADRO Cc1c(C(=O)NC2CCC([NH3+])CC2)nnn1-c1ccccc1Br ZINC000911727403 654730651 /nfs/dbraw/zinc/73/06/51/654730651.db2.gz KTZYSBAURBXQEG-UHFFFAOYSA-N 1 0 378.274 2.338 20 0 GEADRO Cc1c(Br)cc(C(=O)Nc2cccc3c2CC[NH2+]C3)c(=O)n1C ZINC000911790719 654732116 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C[C@@H](Oc1cccc(Br)c1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911938651 654736887 /nfs/dbraw/zinc/73/68/87/654736887.db2.gz KQMKZKPZZSBXNR-CYBMUJFWSA-N 1 0 385.302 2.132 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000911942113 654736900 /nfs/dbraw/zinc/73/69/00/654736900.db2.gz LDIXNNSZOWVOPM-DLBZAZTESA-N 1 0 381.314 2.468 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)c2c[nH]c3cccc(Br)c32)CC1 ZINC000911940290 654736916 /nfs/dbraw/zinc/73/69/16/654736916.db2.gz JZSMATNDVOABSM-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285744 654737047 /nfs/dbraw/zinc/73/70/47/654737047.db2.gz CLLHMOWPIZARMR-QGZVFWFLSA-N 1 0 396.329 2.162 20 0 GEADRO [NH3+][C@@H]1C[C@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)[C@H]2C[C@H]21 ZINC000912014086 654739869 /nfs/dbraw/zinc/73/98/69/654739869.db2.gz GTKKHZSKJDSPHS-SFDCQRBFSA-N 1 0 383.901 2.046 20 0 GEADRO CN(Cc1ccc(Cl)cc1)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912018478 654739887 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C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1c(I)cnn1C ZINC000931762968 654756255 /nfs/dbraw/zinc/75/62/55/654756255.db2.gz CLVCLNIWAKDPBY-LBPRGKRZSA-N 1 0 397.264 2.130 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1=O ZINC000931769529 654756511 /nfs/dbraw/zinc/75/65/11/654756511.db2.gz WYNINAQSVIOBRD-ZDUSSCGKSA-N 1 0 382.302 2.238 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@H]2c2cccc(Br)c2)C1 ZINC000912510513 654757426 /nfs/dbraw/zinc/75/74/26/654757426.db2.gz INAKCTOTYHINOH-FUHWJXTLSA-N 1 0 397.313 2.196 20 0 GEADRO O=C(Nc1nc2ccc(Cl)nc2s1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000931848754 654758956 /nfs/dbraw/zinc/75/89/56/654758956.db2.gz BASWZZLNPBQTAX-VXGBXAGGSA-N 1 0 381.889 2.408 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000912592757 654760415 /nfs/dbraw/zinc/76/04/15/654760415.db2.gz VFTNZIRQOVHBLF-UHFFFAOYSA-N 1 0 385.302 2.367 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000912607849 654760799 /nfs/dbraw/zinc/76/07/99/654760799.db2.gz MBTBNSCHNWUAJL-UHFFFAOYSA-N 1 0 383.208 2.464 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1nc(Br)c2ccccn21 ZINC000932033501 654764720 /nfs/dbraw/zinc/76/47/20/654764720.db2.gz BOWHWJICJMDNAS-ZDUSSCGKSA-N 1 0 395.301 2.280 20 0 GEADRO O=S1(=O)CC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1 ZINC000932071437 654765272 /nfs/dbraw/zinc/76/52/72/654765272.db2.gz GLTHIGOJCQZSLD-BZUAXINKSA-N 1 0 376.444 2.074 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H](O)c2cccc(Br)c2)CCO1 ZINC000912733182 654765863 /nfs/dbraw/zinc/76/58/63/654765863.db2.gz NGLJEQGSHIBLEW-CVEARBPZSA-N 1 0 385.302 2.052 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000912806837 654768906 /nfs/dbraw/zinc/76/89/06/654768906.db2.gz WITSWVAGUFQRBZ-SWLSCSKDSA-N 1 0 387.933 2.331 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(F)(F)c1cccc(Br)c1 ZINC000932186400 654769468 /nfs/dbraw/zinc/76/94/68/654769468.db2.gz MUDQJDSDOJOYLI-GFCCVEGCSA-N 1 0 390.272 2.293 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)C1 ZINC000932193984 654769610 /nfs/dbraw/zinc/76/96/10/654769610.db2.gz MXUVFCJDZJSCFZ-HUUCEWRRSA-N 1 0 383.583 2.483 20 0 GEADRO O=Cc1cnc2c(Br)cc(C(=O)N3CCC([NH+]4CCC4)CC3)cn12 ZINC000912885879 654772500 /nfs/dbraw/zinc/77/25/00/654772500.db2.gz HLGAOHZMZIYBEJ-UHFFFAOYSA-N 1 0 391.269 2.220 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CCC([NH+]2CCC2)CC1)c1cccc(Br)c1 ZINC000912884863 654772515 /nfs/dbraw/zinc/77/25/15/654772515.db2.gz GATHOTKXJOQGNE-QGZVFWFLSA-N 1 0 394.313 2.323 20 0 GEADRO C[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC000932254729 654772783 /nfs/dbraw/zinc/77/27/83/654772783.db2.gz XMDZLUPHUBDVIE-INIZCTEOSA-N 1 0 381.318 2.191 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904098 654773881 /nfs/dbraw/zinc/77/38/81/654773881.db2.gz VYAWJXOWBYVGFM-XHSDSOJGSA-N 1 0 380.286 2.228 20 0 GEADRO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920051 654774175 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Cc1ncc(NC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)c(C)c1Br ZINC000932771371 654789351 /nfs/dbraw/zinc/78/93/51/654789351.db2.gz SATDKQSTLPHWFN-BETUJISGSA-N 1 0 383.290 2.446 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCc3cc(F)cc(Br)c3C2)C1 ZINC000913346400 654789370 /nfs/dbraw/zinc/78/93/70/654789370.db2.gz NEOAZQGQHNMHDS-KRWDZBQOSA-N 1 0 385.277 2.320 20 0 GEADRO C[NH+](C)C1(C)CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000913393827 654790240 /nfs/dbraw/zinc/79/02/40/654790240.db2.gz CFSIKGAHTPCNSJ-UHFFFAOYSA-N 1 0 396.285 2.336 20 0 GEADRO C[NH+](C)C1(C)CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000913400677 654790353 /nfs/dbraw/zinc/79/03/53/654790353.db2.gz QRXCYCGRKHVYSL-UHFFFAOYSA-N 1 0 385.555 2.089 20 0 GEADRO O=C1N[C@H](C2CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)CO1 ZINC000932784784 654790500 /nfs/dbraw/zinc/79/05/00/654790500.db2.gz BIMMUTQVRDIWNQ-HOCLYGCPSA-N 1 0 399.285 2.009 20 0 GEADRO Cc1ncc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C)c1Br ZINC000932786350 654790520 /nfs/dbraw/zinc/79/05/20/654790520.db2.gz RSGQQPADDJGIIC-UHFFFAOYSA-N 1 0 385.306 2.381 20 0 GEADRO O[C@H](C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)CC1(O)CCC1 ZINC000932813666 654791462 /nfs/dbraw/zinc/79/14/62/654791462.db2.gz BVQWGTISHWPRKZ-FUHWJXTLSA-N 1 0 384.314 2.399 20 0 GEADRO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932816200 654791798 /nfs/dbraw/zinc/79/17/98/654791798.db2.gz SVFFEXJGTRZYPT-NVXWUHKLSA-N 1 0 386.286 2.047 20 0 GEADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1nc3ccc(Br)cc3o1)CC2 ZINC000932831679 654792666 /nfs/dbraw/zinc/79/26/66/654792666.db2.gz SIPRJUDASMBGBF-GFCCVEGCSA-N 1 0 394.269 2.053 20 0 GEADRO O=C1NC[C@@H](O)CC12CC[NH+](CCCc1ccccc1Br)CC2 ZINC000932832510 654792929 /nfs/dbraw/zinc/79/29/29/654792929.db2.gz GBNGJNVHZOLDBV-HNNXBMFYSA-N 1 0 381.314 2.345 20 0 GEADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ncc(Br)cn1 ZINC000932871513 654793259 /nfs/dbraw/zinc/79/32/59/654793259.db2.gz SJJBPZROUVSACA-UHFFFAOYSA-N 1 0 376.258 2.029 20 0 GEADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc(=O)[nH]cc1Br ZINC000932872315 654793280 /nfs/dbraw/zinc/79/32/80/654793280.db2.gz VPNDWNGTCWBKCD-UHFFFAOYSA-N 1 0 391.269 2.339 20 0 GEADRO Cc1csc(C[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000933124384 654803053 /nfs/dbraw/zinc/80/30/53/654803053.db2.gz XWVIENQXPZVFRX-QWRGUYRKSA-N 1 0 378.420 2.093 20 0 GEADRO CO[C@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000913683276 654804215 /nfs/dbraw/zinc/80/42/15/654804215.db2.gz VSQBAKVMLPMALE-ZDUSSCGKSA-N 1 0 391.331 2.113 20 0 GEADRO O=C(Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)C12CC[NH+](CC1)C2 ZINC000913688952 654804381 /nfs/dbraw/zinc/80/43/81/654804381.db2.gz RRJFBZKXZNBQQQ-ZDUSSCGKSA-N 1 0 394.313 2.302 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)N1CC[NH+](CCCCCO)CC1 ZINC000913690553 654804448 /nfs/dbraw/zinc/80/44/48/654804448.db2.gz MAUPSLBLKVTUNA-UHFFFAOYSA-N 1 0 387.293 2.438 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)on1 ZINC000933437919 654813241 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CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cnn(C)c1I ZINC000933737613 654823709 /nfs/dbraw/zinc/82/37/09/654823709.db2.gz BWIRECBTSMPJLY-JTQLQIEISA-N 1 0 393.273 2.267 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)cn3ncnc23)C1 ZINC000933770007 654827167 /nfs/dbraw/zinc/82/71/67/654827167.db2.gz FGRZGVNULGWVOW-GFCCVEGCSA-N 1 0 380.290 2.296 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914110814 654827360 /nfs/dbraw/zinc/82/73/60/654827360.db2.gz PWTWWCFGBJJKIL-MCFWBGNESA-N 1 0 399.460 2.162 20 0 GEADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Br)nc2N)CCOCC1 ZINC000933882326 654829090 /nfs/dbraw/zinc/82/90/90/654829090.db2.gz ZHWIWWOZWUDWLD-NSHDSACASA-N 1 0 386.290 2.264 20 0 GEADRO CCOC(=O)C1([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCOCC1 ZINC000933876268 654829122 /nfs/dbraw/zinc/82/91/22/654829122.db2.gz INFQFGYSLPJTCC-PWSUYJOCSA-N 1 0 377.350 2.273 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000933931312 654831279 /nfs/dbraw/zinc/83/12/79/654831279.db2.gz IWLOBNYYAAZYQM-UHFFFAOYSA-N 1 0 383.905 2.225 20 0 GEADRO Cc1ncc(CNC(=O)CC[N@H+]2CCCSC[C@@H]2c2cnn(C)c2)s1 ZINC000933974052 654832288 /nfs/dbraw/zinc/83/22/88/654832288.db2.gz QFCSKZXOFIAVFQ-MRXNPFEDSA-N 1 0 379.555 2.372 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)c1cscc1C(F)F)N1CC[NH+](C)CC1 ZINC000914187012 654833618 /nfs/dbraw/zinc/83/36/18/654833618.db2.gz FLMIHDLXYNZFMV-ZDUSSCGKSA-N 1 0 381.514 2.236 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2ccsc2Br)CCSC1 ZINC000914222285 654836282 /nfs/dbraw/zinc/83/62/82/654836282.db2.gz BUJFIWMRWMWDLP-GFCCVEGCSA-N 1 0 399.401 2.367 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c1F ZINC000914241873 654838144 /nfs/dbraw/zinc/83/81/44/654838144.db2.gz VIUCOJQBJFWUKX-GXSJLCMTSA-N 1 0 395.294 2.167 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1F ZINC000914254313 654839123 /nfs/dbraw/zinc/83/91/23/654839123.db2.gz FRAKMHDPXADNNT-SNVBAGLBSA-N 1 0 395.294 2.312 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000934248957 654839570 /nfs/dbraw/zinc/83/95/70/654839570.db2.gz IPXIWVBQUNWLHD-LSDHHAIUSA-N 1 0 383.290 2.215 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cc2c(cc1Br)OCCO2 ZINC000934251947 654840043 /nfs/dbraw/zinc/84/00/43/654840043.db2.gz HIJFQJAZBNLLNT-HZPDHXFCSA-N 1 0 397.313 2.251 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000934260844 654840816 /nfs/dbraw/zinc/84/08/16/654840816.db2.gz OGWAWGXHWCTEDK-IRXDYDNUSA-N 1 0 396.329 2.227 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000914298013 654842921 /nfs/dbraw/zinc/84/29/21/654842921.db2.gz MTLAVBHDZMFXRD-RISCZKNCSA-N 1 0 383.290 2.170 20 0 GEADRO COC1CC[NH+](CCNC(=O)c2nc(C(C)C)ncc2Br)CC1 ZINC000934305608 654843604 /nfs/dbraw/zinc/84/36/04/654843604.db2.gz RXCOWZPGUBFSOA-UHFFFAOYSA-N 1 0 385.306 2.203 20 0 GEADRO CS(=O)(=O)N(CC[N@@H+]1CC[C@H](Cc2nccs2)C1)Cc1ccccc1 ZINC000934331567 654844989 /nfs/dbraw/zinc/84/49/89/654844989.db2.gz DRNJXQGKYNDOJL-QGZVFWFLSA-N 1 0 379.551 2.469 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCC(C)(C)CS(C)(=O)=O)C1 ZINC000914331358 654845968 /nfs/dbraw/zinc/84/59/68/654845968.db2.gz OAZXZUFYGHSFMM-GJZGRUSLSA-N 1 0 375.579 2.113 20 0 GEADRO C[NH+](C)CCOCCNS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000914356248 654847896 /nfs/dbraw/zinc/84/78/96/654847896.db2.gz YWUZCYYIQLIDBX-UHFFFAOYSA-N 1 0 399.738 2.100 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2occc2Br)C[C@H]1[NH+]1CCCC1 ZINC000914390628 654850427 /nfs/dbraw/zinc/85/04/27/654850427.db2.gz IUPDTQLAZFHEOK-NEPJUHHUSA-N 1 0 395.344 2.242 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1cc(Cl)cc(Br)c1 ZINC000914421917 654852887 /nfs/dbraw/zinc/85/28/87/654852887.db2.gz HXEJUWMHTLIWEP-DZGCQCFKSA-N 1 0 375.694 2.216 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000914709747 654856728 /nfs/dbraw/zinc/85/67/28/654856728.db2.gz WXZPCGBPDYORPL-UHFFFAOYSA-N 1 0 380.290 2.347 20 0 GEADRO CCO[C@H](CNC(=O)Nc1cc(F)c(Cl)c(C(=O)OC)c1)C[NH+](C)C ZINC000934767078 654858634 /nfs/dbraw/zinc/85/86/34/654858634.db2.gz OPUHJDRGWSDIIC-LLVKDONJSA-N 1 0 375.828 2.354 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000915058787 654861705 /nfs/dbraw/zinc/86/17/05/654861705.db2.gz SWAXAVLVXYXUOT-HNNXBMFYSA-N 1 0 386.323 2.208 20 0 GEADRO Cn1cc(CCC[NH2+][C@@H](CO)c2ccccc2I)cn1 ZINC000934828141 654862216 /nfs/dbraw/zinc/86/22/16/654862216.db2.gz HZBDVZVWXQFZTM-HNNXBMFYSA-N 1 0 385.249 2.281 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cn4ncnc34)CC[C@@H]21 ZINC000934888332 654864751 /nfs/dbraw/zinc/86/47/51/654864751.db2.gz CQICOSDWEKZRBE-FZMZJTMJSA-N 1 0 378.274 2.048 20 0 GEADRO CCOc1ccc(Br)c(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1F ZINC000934964676 654868221 /nfs/dbraw/zinc/86/82/21/654868221.db2.gz FTTKDQRHMUNWNC-ZWNOBZJWSA-N 1 0 389.265 2.436 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)n1 ZINC000935016097 654871000 /nfs/dbraw/zinc/87/10/00/654871000.db2.gz HUWNBUVBHVNUBG-NWANDNLSSA-N 1 0 382.302 2.476 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000915593291 654874380 /nfs/dbraw/zinc/87/43/80/654874380.db2.gz JTGIQHARTFCMBR-TZMCWYRMSA-N 1 0 397.317 2.478 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc(Br)c1OC ZINC000915620592 654874966 /nfs/dbraw/zinc/87/49/66/654874966.db2.gz GSHGPMHNDRGCMX-MFKMUULPSA-N 1 0 386.290 2.358 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000915628122 654875275 /nfs/dbraw/zinc/87/52/75/654875275.db2.gz VHVCUHFZYJUYIQ-XQRVVYSFSA-N 1 0 399.285 2.447 20 0 GEADRO C[NH+]1CCC(OCC(=O)Nc2cc(I)ccc2O)CC1 ZINC000935107737 654876196 /nfs/dbraw/zinc/87/61/96/654876196.db2.gz PHVFFSDNZWVMEV-UHFFFAOYSA-N 1 0 390.221 2.046 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC3(Cl)Cl)cn2)CC1 ZINC000915693979 654876760 /nfs/dbraw/zinc/87/67/60/654876760.db2.gz WIHBZUIPSBQLNY-AWEZNQCLSA-N 1 0 386.327 2.217 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000935159063 654879145 /nfs/dbraw/zinc/87/91/45/654879145.db2.gz YWPSKMFIEKNVNV-XJKSGUPXSA-N 1 0 395.345 2.251 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3cccc(F)c3Br)[C@H]2C1 ZINC000915833304 654880223 /nfs/dbraw/zinc/88/02/23/654880223.db2.gz ASXPERYKDAYRFA-MFKMUULPSA-N 1 0 377.279 2.054 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCCc1cccc(C(F)(F)F)n1 ZINC000915871384 654881121 /nfs/dbraw/zinc/88/11/21/654881121.db2.gz QCSPOQDDLFKXHY-HNNXBMFYSA-N 1 0 377.432 2.048 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000915881332 654881870 /nfs/dbraw/zinc/88/18/70/654881870.db2.gz SQWWBTSMCDCDQB-NHUBLERXSA-N 1 0 399.460 2.303 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000935245998 654883598 /nfs/dbraw/zinc/88/35/98/654883598.db2.gz CDTKZXMBNISMDF-CQSZACIVSA-N 1 0 378.270 2.253 20 0 GEADRO CCO[C@@H](CNC(=O)NCc1ccc(OC)c(Br)c1)C[NH+](C)C ZINC000916085423 654887524 /nfs/dbraw/zinc/88/75/24/654887524.db2.gz MYOWBPOSPWEMFX-ZDUSSCGKSA-N 1 0 388.306 2.224 20 0 GEADRO CS[C@@H]1CN(C(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000935367716 654889950 /nfs/dbraw/zinc/88/99/50/654889950.db2.gz NVYDLHBJIXABSF-CHWSQXEVSA-N 1 0 375.416 2.458 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935442606 654893784 /nfs/dbraw/zinc/89/37/84/654893784.db2.gz AYLJHKQELFPCRQ-CQSZACIVSA-N 1 0 380.286 2.428 20 0 GEADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cn2ncnc12 ZINC000935662859 654909376 /nfs/dbraw/zinc/90/93/76/654909376.db2.gz MJIQBJXGPZJBLT-CYBMUJFWSA-N 1 0 378.274 2.239 20 0 GEADRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935931779 654928061 /nfs/dbraw/zinc/92/80/61/654928061.db2.gz FBHMKASQMKTUCH-JSGCOSHPSA-N 1 0 393.285 2.032 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn2ncnc12 ZINC000935977784 654931318 /nfs/dbraw/zinc/93/13/18/654931318.db2.gz STTPFHXLDAAYQQ-BXUZGUMPSA-N 1 0 378.274 2.191 20 0 GEADRO C[NH+]1CCC(OCC(=O)NCc2nc3cc(Br)ccc3o2)CC1 ZINC000936000845 654933060 /nfs/dbraw/zinc/93/30/60/654933060.db2.gz RHAXLVSWNQHDBM-UHFFFAOYSA-N 1 0 382.258 2.317 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4csc(Cl)c4)[C@@H]3C2)CC[N@@H+]1C ZINC000972146094 654941562 /nfs/dbraw/zinc/94/15/62/654941562.db2.gz AMMDRDBGYFJDJK-QHSBEEBCSA-N 1 0 381.929 2.415 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(Cl)s1)C2 ZINC000996509796 654948453 /nfs/dbraw/zinc/94/84/53/654948453.db2.gz FAENFYVBVGBKOS-UNQGMJICSA-N 1 0 381.929 2.286 20 0 GEADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2scnc2Cl)C3)CCC1 ZINC000996596508 654948894 /nfs/dbraw/zinc/94/88/94/654948894.db2.gz NSYZIVZNTWWBBT-WOPDTQHZSA-N 1 0 382.917 2.143 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncc(Cl)s2)C3)C1 ZINC000998333879 654951328 /nfs/dbraw/zinc/95/13/28/654951328.db2.gz WXTOUKVDCUYIFZ-NDBYEHHHSA-N 1 0 382.917 2.000 20 0 GEADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc(Cl)s1)C2 ZINC000998336108 654951508 /nfs/dbraw/zinc/95/15/08/654951508.db2.gz TWUSUKPTVCYVQM-VOAKCMCISA-N 1 0 382.917 2.143 20 0 GEADRO FC(F)(F)[C@H]1N(c2ccc(CN3CCOCC3)cn2)CCC12CC[NH2+]CC2 ZINC001164387918 718814079 /nfs/dbraw/zinc/81/40/79/718814079.db2.gz JVXHBYADBYZLFL-KRWDZBQOSA-N 1 0 384.446 2.425 20 0 GEADRO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@H]4C3)nc(Cl)c2c1 ZINC001164389698 718824788 /nfs/dbraw/zinc/82/47/88/718824788.db2.gz JIEWDDSUDKXIPL-KBPBESRZSA-N 1 0 384.814 2.404 20 0 GEADRO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CCN3CC[NH2+]C[C@H]3C2)c1 ZINC001164399437 718833981 /nfs/dbraw/zinc/83/39/81/718833981.db2.gz WUKFIRXVFUIFJH-HNNXBMFYSA-N 1 0 389.862 2.220 20 0 GEADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164398839 718836233 /nfs/dbraw/zinc/83/62/33/718836233.db2.gz LNQUKKCGIUZBQB-AWEZNQCLSA-N 1 0 379.842 2.436 20 0 GEADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164404862 718840227 /nfs/dbraw/zinc/84/02/27/718840227.db2.gz NIWWSHSHHBYRDY-OAHLLOKOSA-N 1 0 379.842 2.436 20 0 GEADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164402126 718851912 /nfs/dbraw/zinc/85/19/12/718851912.db2.gz FCGWUPCVHGKMBL-MEBBXXQBSA-N 1 0 389.233 2.500 20 0 GEADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164402145 718851937 /nfs/dbraw/zinc/85/19/37/718851937.db2.gz FEIZOMDZQXEBQX-VFZGTOFNSA-N 1 0 389.233 2.500 20 0 GEADRO Clc1ccc(CN2CCCC2)c(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)n1 ZINC001164414970 718885125 /nfs/dbraw/zinc/88/51/25/718885125.db2.gz BWEOEVPQKIEQCQ-UHFFFAOYSA-N 1 0 387.919 2.021 20 0 GEADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416524 718885179 /nfs/dbraw/zinc/88/51/79/718885179.db2.gz YKPWBRLONRLLND-UHFFFAOYSA-N 1 0 393.829 2.452 20 0 GEADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423093 718944995 /nfs/dbraw/zinc/94/49/95/718944995.db2.gz DGBWNVCUFFJWEP-HIFRSBDPSA-N 1 0 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Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccnc(Cl)n4)C[C@H]3C2)cn1 ZINC001164770396 721069838 /nfs/dbraw/zinc/06/98/38/721069838.db2.gz PXJFGWVJTQITCO-UONOGXRCSA-N 1 0 382.846 2.367 20 0 GEADRO COC(=O)c1cc(Cl)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164772058 721081328 /nfs/dbraw/zinc/08/13/28/721081328.db2.gz SZBPIOAYGIYLIU-GDBMZVCRSA-N 1 0 389.887 2.213 20 0 GEADRO CCOC(=O)Cc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164864834 721092180 /nfs/dbraw/zinc/09/21/80/721092180.db2.gz GRZUCRCWUYIKGN-WOJBJXKFSA-N 1 0 396.491 2.062 20 0 GEADRO O=c1cc2[nH]c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)cc-2[nH]1 ZINC001164867170 721094081 /nfs/dbraw/zinc/09/40/81/721094081.db2.gz WNCCBGSWUDUPNI-CABCVRRESA-N 1 0 399.882 2.104 20 0 GEADRO O=c1cc2[nH]c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c(Cl)cc-2[nH]1 ZINC001164867174 721094345 /nfs/dbraw/zinc/09/43/45/721094345.db2.gz WNCCBGSWUDUPNI-LSDHHAIUSA-N 1 0 399.882 2.104 20 0 GEADRO 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ZINC001164867329 721120243 /nfs/dbraw/zinc/12/02/43/721120243.db2.gz XVKNVYRVUXXCGN-ZIAGYGMSSA-N 1 0 377.851 2.331 20 0 GEADRO COC(=O)c1c(C)cc(C)nc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761743 721124754 /nfs/dbraw/zinc/12/47/54/721124754.db2.gz BBKCOPSKJUXXGD-QZTJIDSGSA-N 1 0 383.496 2.177 20 0 GEADRO COc1ccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ncc2c1 ZINC001164767265 721141217 /nfs/dbraw/zinc/14/12/17/721141217.db2.gz MFIYULWOKLEGNO-FUHWJXTLSA-N 1 0 378.480 2.330 20 0 GEADRO CCOC(=O)c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1C ZINC001164762649 721144166 /nfs/dbraw/zinc/14/41/66/721144166.db2.gz DATOGCWOGOMONC-ZWKOTPCHSA-N 1 0 383.496 2.259 20 0 GEADRO c1nnc(-c2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)o1 ZINC001164880948 721161714 /nfs/dbraw/zinc/16/17/14/721161714.db2.gz YCSJSPPBAGPSEX-QZTJIDSGSA-N 1 0 378.436 2.006 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(N5CCCCC5)n4)C[C@@H]3C2)cn1 ZINC001164764195 721161698 /nfs/dbraw/zinc/16/16/98/721161698.db2.gz HKCPOKBHECNENR-MOPGFXCFSA-N 1 0 381.528 2.159 20 0 GEADRO COC(OC)c1cc(C)cnc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764205 721176534 /nfs/dbraw/zinc/17/65/34/721176534.db2.gz GNLAVUPFTKCJGA-ROUUACIJSA-N 1 0 385.512 2.373 20 0 GEADRO F[C@H](Oc1ccc(Cl)nn1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866689 721194094 /nfs/dbraw/zinc/19/40/94/721194094.db2.gz BXWZKDHYTKKBIS-RKVPGOIHSA-N 1 0 393.850 2.132 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCCCC5)ncn4)C[C@H]3C2)cn1 ZINC001164765030 721194789 /nfs/dbraw/zinc/19/47/89/721194789.db2.gz HNACTAAUGYPITF-RTBURBONSA-N 1 0 381.528 2.159 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCCCC5)ncn4)C[C@H]3C2)cn1 ZINC001164765027 721195686 /nfs/dbraw/zinc/19/56/86/721195686.db2.gz HNACTAAUGYPITF-RBUKOAKNSA-N 1 0 381.528 2.159 20 0 GEADRO COc1cccc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c21 ZINC001164770149 721204843 /nfs/dbraw/zinc/20/48/43/721204843.db2.gz NROONAANNREDGV-DLBZAZTESA-N 1 0 378.480 2.330 20 0 GEADRO CCOC(=O)[C@H]1CCCN(c2ccc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nn2)C1 ZINC001164770838 721298472 /nfs/dbraw/zinc/29/84/72/721298472.db2.gz WTMQEIDURBVHGK-SFHVURJKSA-N 1 0 399.539 2.178 20 0 GEADRO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164885415 721343835 /nfs/dbraw/zinc/34/38/35/721343835.db2.gz QBPZSZCFTAEUQL-DENIHFKCSA-N 1 0 384.524 2.189 20 0 GEADRO O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164885420 721344264 /nfs/dbraw/zinc/34/42/64/721344264.db2.gz QBPZSZCFTAEUQL-SIKLNZKXSA-N 1 0 384.524 2.189 20 0 GEADRO O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164886380 721345677 /nfs/dbraw/zinc/34/56/77/721345677.db2.gz RXRIDOVMAKDHMK-SIKLNZKXSA-N 1 0 384.524 2.189 20 0 GEADRO O=C1CO[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]2N1c1cccc(F)c1 ZINC001164882603 721367063 /nfs/dbraw/zinc/36/70/63/721367063.db2.gz KCDQEFCWLMBGMW-VQTJNVASSA-N 1 0 396.466 2.437 20 0 GEADRO Cn1cc(N2C[C@]3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)C3)CC2=O)cn1 ZINC001164883895 721373813 /nfs/dbraw/zinc/37/38/13/721373813.db2.gz AEAJQRDYLHKLRK-OAQYLSRUSA-N 1 0 380.496 2.043 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ncc4F)C3)O2)CC1 ZINC001164886798 721381638 /nfs/dbraw/zinc/38/16/38/721381638.db2.gz GICXDUSLOGEKLN-KSSFIOAISA-N 1 0 383.899 2.035 20 0 GEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(N)cc(Cl)n4)C3)O2)CC1 ZINC001164886251 721402323 /nfs/dbraw/zinc/40/23/23/721402323.db2.gz IJXNVBRFCBUWQI-APWZRJJASA-N 1 0 379.936 2.083 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc5scnc54)C3)O2)CC1 ZINC001164892949 721416083 /nfs/dbraw/zinc/41/60/83/721416083.db2.gz ZISITZRIGBTIRT-OXJNMPFZSA-N 1 0 387.553 2.457 20 0 GEADRO Clc1cc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164785467 721423085 /nfs/dbraw/zinc/42/30/85/721423085.db2.gz MQLBIAGLCZDESI-BETUJISGSA-N 1 0 375.929 2.405 20 0 GEADRO CCSc1cncc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889544 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FKMOPEUEQFEWOB-NVXWUHKLSA-N 1 0 389.402 2.488 20 0 GEADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164910315 721530872 /nfs/dbraw/zinc/53/08/72/721530872.db2.gz UFWBYUJFIOETLB-RDJZCZTQSA-N 1 0 386.427 2.134 20 0 GEADRO Cc1cn(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cn1 ZINC001164906366 721545256 /nfs/dbraw/zinc/54/52/56/721545256.db2.gz KERFHSRNVWGRGH-IEBWSBKVSA-N 1 0 394.454 2.452 20 0 GEADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164909274 721546615 /nfs/dbraw/zinc/54/66/15/721546615.db2.gz RCVZSPZWZPBMLD-UYAOXDASSA-N 1 0 398.482 2.399 20 0 GEADRO COCOc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164810492 721557689 /nfs/dbraw/zinc/55/76/89/721557689.db2.gz YNJCEVKUJMNSNJ-IRFCIJBXSA-N 1 0 384.480 2.328 20 0 GEADRO NC(=S)Nc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164905304 721562192 /nfs/dbraw/zinc/56/21/92/721562192.db2.gz GPCZNJXYWZBIKH-RDJZCZTQSA-N 1 0 387.484 2.218 20 0 GEADRO COC(=O)c1c(Cl)ccnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165009802 721730933 /nfs/dbraw/zinc/73/09/33/721730933.db2.gz ZNYHAWCBRHXBNF-UHFFFAOYSA-N 1 0 394.903 2.045 20 0 GEADRO CSc1ncc(Cl)c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165007477 721731805 /nfs/dbraw/zinc/73/18/05/721731805.db2.gz DSRHGMMUAKWZDA-UHFFFAOYSA-N 1 0 383.949 2.375 20 0 GEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3cnccc32)CC1 ZINC001165010180 721734445 /nfs/dbraw/zinc/73/44/45/721734445.db2.gz FGPXYJRGNTYNAY-UHFFFAOYSA-N 1 0 388.903 2.201 20 0 GEADRO COc1ccc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)ncc2c1 ZINC001165011599 721738554 /nfs/dbraw/zinc/73/85/54/721738554.db2.gz SFXVJZFFBQXJKN-UHFFFAOYSA-N 1 0 383.496 2.161 20 0 GEADRO COc1ccc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc(C)c2c1 ZINC001165009451 721739837 /nfs/dbraw/zinc/73/98/37/721739837.db2.gz DLMDLQSFWVYEMB-UHFFFAOYSA-N 1 0 397.523 2.470 20 0 GEADRO COC(=O)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncn1 ZINC001165027835 721810256 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C[NH+](C)CC1CCN(C(F)(F)c2cnc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC001165042551 721951562 /nfs/dbraw/zinc/95/15/62/721951562.db2.gz OHWCYPLKYCOADO-UHFFFAOYSA-N 1 0 381.876 2.461 20 0 GEADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]21 ZINC001164943693 721958703 /nfs/dbraw/zinc/95/87/03/721958703.db2.gz IYBGSHFIXLKREU-LEWJYISDSA-N 1 0 397.523 2.370 20 0 GEADRO O=c1ccccn1Cc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1 ZINC001165044865 721959976 /nfs/dbraw/zinc/95/99/76/721959976.db2.gz PNRJBURYFXXAEZ-UHFFFAOYSA-N 1 0 390.487 2.493 20 0 GEADRO CC[NH+](CC)C1CCN(c2nccc(N3CCC(C(=O)OC)CC3)n2)CC1 ZINC001165054014 722004403 /nfs/dbraw/zinc/00/44/03/722004403.db2.gz XHGLGEFVMYIXFL-UHFFFAOYSA-N 1 0 375.517 2.177 20 0 GEADRO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1 ZINC001164955121 722010185 /nfs/dbraw/zinc/01/01/85/722010185.db2.gz UFJPGIPSYCZHBP-GHTZIAJQSA-N 1 0 387.528 2.077 20 0 GEADRO O=C1COc2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2N1 ZINC001164952468 722018035 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ZINC001165000297 722249931 /nfs/dbraw/zinc/24/99/31/722249931.db2.gz GRZMZQQDUUMOOY-OAQYLSRUSA-N 1 0 384.480 2.248 20 0 GEADRO Cc1noc(-c2ccnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2)n1 ZINC001165004629 722256721 /nfs/dbraw/zinc/25/67/21/722256721.db2.gz UHVCQCUDZWEALE-UHFFFAOYSA-N 1 0 397.483 2.125 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000483970300 531415243 /nfs/dbraw/zinc/41/52/43/531415243.db2.gz CCIVSLYDPBWDKK-SNVBAGLBSA-N 1 0 381.424 2.217 20 0 GEADRO COc1ccc(Br)c(CC(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000151692175 531515302 /nfs/dbraw/zinc/51/53/02/531515302.db2.gz HAZAFZPDHPXNMJ-UHFFFAOYSA-N 1 0 385.302 2.227 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000151409129 531499930 /nfs/dbraw/zinc/49/99/30/531499930.db2.gz CKLDEKJBCLWFAW-CQSZACIVSA-N 1 0 398.345 2.478 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000151741272 531519331 /nfs/dbraw/zinc/51/93/31/531519331.db2.gz QEAOJQBDNWROSB-UHFFFAOYSA-N 1 0 387.571 2.287 20 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C[NH+](C)C[C@](C)(O)CNC(=O)CSCc1ccc(Br)cc1F ZINC000153457202 531601452 /nfs/dbraw/zinc/60/14/52/531601452.db2.gz GROHVAAILWJULX-OAHLLOKOSA-N 1 0 393.322 2.250 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000153516326 531603120 /nfs/dbraw/zinc/60/31/20/531603120.db2.gz HHFBFMYLSWKRMY-HNNXBMFYSA-N 1 0 396.329 2.397 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000026174978 531617144 /nfs/dbraw/zinc/61/71/44/531617144.db2.gz BKCGSEDUYLPFRK-ZDUSSCGKSA-N 1 0 391.896 2.211 20 0 GEADRO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000154676434 531627908 /nfs/dbraw/zinc/62/79/08/531627908.db2.gz STKDAHHEHOYDBB-CYBMUJFWSA-N 1 0 388.559 2.031 20 0 GEADRO O=C(CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)Nc1ccc(Br)cc1 ZINC000154729735 531629935 /nfs/dbraw/zinc/62/99/35/531629935.db2.gz SFGJQNLCBXBIBJ-UGFHNGPFSA-N 1 0 380.286 2.425 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)NCC[NH+]3CCCCCC3)cc2N1 ZINC000030338383 531635843 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COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036265666 531660100 /nfs/dbraw/zinc/66/01/00/531660100.db2.gz GDMOTIHXEVBWMV-GZMMTYOYSA-N 1 0 395.706 2.094 20 0 GEADRO COc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)c(I)c1 ZINC000155214493 531663488 /nfs/dbraw/zinc/66/34/88/531663488.db2.gz KWLSMUPNVSTVFA-UHFFFAOYSA-N 1 0 388.249 2.466 20 0 GEADRO Cc1ccc(C(=O)NC2CCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)s1 ZINC000155217852 531666076 /nfs/dbraw/zinc/66/60/76/531666076.db2.gz FGNQVALMARTGAL-OAHLLOKOSA-N 1 0 381.567 2.215 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)sc1C ZINC000155298512 531672306 /nfs/dbraw/zinc/67/23/06/531672306.db2.gz JEIKKAIFGDNJMQ-UHFFFAOYSA-N 1 0 385.349 2.066 20 0 GEADRO C[NH+](C)CCCNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000042923220 531674746 /nfs/dbraw/zinc/67/47/46/531674746.db2.gz INZKRZJMPSEYON-UHFFFAOYSA-N 1 0 389.363 2.290 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000155540713 531689125 /nfs/dbraw/zinc/68/91/25/531689125.db2.gz 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ZINC000155511454 531686655 /nfs/dbraw/zinc/68/66/55/531686655.db2.gz YCQNBYLGVJJJFD-NSHDSACASA-N 1 0 380.436 2.054 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000155665079 531694506 /nfs/dbraw/zinc/69/45/06/531694506.db2.gz LCIMCWBXKVDTLX-GFCCVEGCSA-N 1 0 379.302 2.296 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000155674236 531695968 /nfs/dbraw/zinc/69/59/68/531695968.db2.gz ONGJOXRWLSBIHE-AWEZNQCLSA-N 1 0 396.329 2.273 20 0 GEADRO C[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000046408813 531703686 /nfs/dbraw/zinc/70/36/86/531703686.db2.gz RBGZKDAPRWFAND-ZDUSSCGKSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1cc(Br)ccc1=O ZINC000046990101 531710026 /nfs/dbraw/zinc/71/00/26/531710026.db2.gz CCZJTMSLOMZHNG-AWEZNQCLSA-N 1 0 384.318 2.382 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000048361435 531731067 /nfs/dbraw/zinc/73/10/67/531731067.db2.gz MFGLGQBLJGERNR-GHMZBOCLSA-N 1 0 388.331 2.229 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000156120639 531716342 /nfs/dbraw/zinc/71/63/42/531716342.db2.gz ZJKUJZAYJRCPCN-NSHDSACASA-N 1 0 398.301 2.385 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000156116597 531716431 /nfs/dbraw/zinc/71/64/31/531716431.db2.gz AAQAPZCBOOGIOU-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO CC(=O)NCC1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000047772380 531719746 /nfs/dbraw/zinc/71/97/46/531719746.db2.gz DERGVVWAGVWHQU-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000156190301 531721269 /nfs/dbraw/zinc/72/12/69/531721269.db2.gz OKUIKXOISPFKRY-WDEREUQCSA-N 1 0 398.248 2.138 20 0 GEADRO CC(C)[NH2+]CCC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000157421277 531742818 /nfs/dbraw/zinc/74/28/18/531742818.db2.gz WOURZQZKIAWTKT-UHFFFAOYSA-N 1 0 393.962 2.013 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000157505617 531744194 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CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000158250025 531772181 /nfs/dbraw/zinc/77/21/81/531772181.db2.gz YJLJEKNSURIMNP-QWHCGFSZSA-N 1 0 376.309 2.295 20 0 GEADRO CN(CC[NH2+]Cc1ccc(N2CCCC2)nc1)S(=O)(=O)c1cccs1 ZINC000158303181 531775514 /nfs/dbraw/zinc/77/55/14/531775514.db2.gz BHRHWKXMCXLMLV-UHFFFAOYSA-N 1 0 380.539 2.154 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000158367379 531777826 /nfs/dbraw/zinc/77/78/26/531777826.db2.gz AIGDCFOSUIDZHL-DGCLKSJQSA-N 1 0 389.315 2.100 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000055326936 531789544 /nfs/dbraw/zinc/78/95/44/531789544.db2.gz ZHJXPOWAVSXHJS-LLVKDONJSA-N 1 0 390.347 2.429 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC(C)(C)[NH+](C)C ZINC000056129539 531807964 /nfs/dbraw/zinc/80/79/64/531807964.db2.gz WYNPDSGUOGGKEV-VIFPVBQESA-N 1 0 376.320 2.085 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(Br)c[nH]3)cn2)CC1 ZINC000057675956 531822020 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CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000162435997 531843839 /nfs/dbraw/zinc/84/38/39/531843839.db2.gz JVTTVKOHSQCHIJ-GFCCVEGCSA-N 1 0 390.347 2.135 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cc(F)ccc1Br ZINC000162704427 531846960 /nfs/dbraw/zinc/84/69/60/531846960.db2.gz ANDUTKOKWFICGR-SNVBAGLBSA-N 1 0 384.249 2.127 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000061858252 531856557 /nfs/dbraw/zinc/85/65/57/531856557.db2.gz AMUCIHNPSOLHHL-NSHDSACASA-N 1 0 394.722 2.356 20 0 GEADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000063688947 531859727 /nfs/dbraw/zinc/85/97/27/531859727.db2.gz FHDMWEBNFFJZKP-UHFFFAOYSA-N 1 0 381.523 2.166 20 0 GEADRO O=C(c1ccnc(Cl)c1I)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163894511 531865766 /nfs/dbraw/zinc/86/57/66/531865766.db2.gz PSRIMNMXGZGGRT-DTORHVGOSA-N 1 0 391.640 2.306 20 0 GEADRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000165379666 531873137 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GEADRO CN(C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000170915886 531894725 /nfs/dbraw/zinc/89/47/25/531894725.db2.gz VRKNCSLBCOHQGR-MRXNPFEDSA-N 1 0 381.929 2.408 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[NH+]1CCCC1 ZINC000068064530 531895732 /nfs/dbraw/zinc/89/57/32/531895732.db2.gz YNENQRKXVGEXPW-KGLIPLIRSA-N 1 0 394.313 2.403 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000171151741 531895792 /nfs/dbraw/zinc/89/57/92/531895792.db2.gz HEVOYVBTRKPQSP-CYBMUJFWSA-N 1 0 377.312 2.122 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC(C)(C)O)CC2)c(Br)c1 ZINC000171152635 531896643 /nfs/dbraw/zinc/89/66/43/531896643.db2.gz RZLMYJNXFRHDLQ-AWEZNQCLSA-N 1 0 398.345 2.473 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000068117755 531898496 /nfs/dbraw/zinc/89/84/96/531898496.db2.gz PSNGGYXMQXDPCX-HIFRSBDPSA-N 1 0 387.571 2.042 20 0 GEADRO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000170646963 531886924 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20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1Br ZINC000121004059 532008013 /nfs/dbraw/zinc/00/80/13/532008013.db2.gz HXBWXSMNMVLYPW-CYBMUJFWSA-N 1 0 380.286 2.393 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2cccc(Br)c2)CC1 ZINC000121077234 532011760 /nfs/dbraw/zinc/01/17/60/532011760.db2.gz BPINLWLGHRAABH-HOTGVXAUSA-N 1 0 385.302 2.052 20 0 GEADRO C[C@H](CNS(=O)(=O)Cc1c(Cl)cccc1Cl)CN1CC[NH+](C)CC1 ZINC000173454375 532012489 /nfs/dbraw/zinc/01/24/89/532012489.db2.gz YFUWGUAWCGQRRB-CYBMUJFWSA-N 1 0 394.368 2.296 20 0 GEADRO Cc1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1Br ZINC000121146858 532015166 /nfs/dbraw/zinc/01/51/66/532015166.db2.gz FKGMPWBQSMNKMU-UHFFFAOYSA-N 1 0 394.273 2.093 20 0 GEADRO CS(=O)(=O)NCCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000121186232 532016645 /nfs/dbraw/zinc/01/66/45/532016645.db2.gz CEPSQHDUVHADQY-ZDUSSCGKSA-N 1 0 377.304 2.192 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000173542001 532018503 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CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000173711756 532027401 /nfs/dbraw/zinc/02/74/01/532027401.db2.gz FJCNTOAKVQUZIO-LSDHHAIUSA-N 1 0 398.345 2.359 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000173710151 532027964 /nfs/dbraw/zinc/02/79/64/532027964.db2.gz ZOPZJOSMDQDFGJ-HNNXBMFYSA-N 1 0 394.313 2.281 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000173732744 532028664 /nfs/dbraw/zinc/02/86/64/532028664.db2.gz GOMFDAVICSFKDY-LLVKDONJSA-N 1 0 386.265 2.327 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000173739365 532030743 /nfs/dbraw/zinc/03/07/43/532030743.db2.gz SKEQXEIOZMRDMQ-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000121638021 532039257 /nfs/dbraw/zinc/03/92/57/532039257.db2.gz INPZILDWSGHUKR-TZMCWYRMSA-N 1 0 384.523 2.172 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)NCCOc2cccc(Br)c2)n1 ZINC000173932290 532042064 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O=C(NC[C@@H]1CCCN(C(=O)c2ccccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000122132572 532058566 /nfs/dbraw/zinc/05/85/66/532058566.db2.gz UGSUMVGTHUVPCT-BBRMVZONSA-N 1 0 394.313 2.170 20 0 GEADRO COc1cc2c(c(C[NH2+]CCNS(=O)(=O)c3cccs3)c1)O[C@@H](C)C2 ZINC000122259890 532063322 /nfs/dbraw/zinc/06/33/22/532063322.db2.gz FQHTWEOQJFGNPM-LBPRGKRZSA-N 1 0 382.507 2.148 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000122289560 532064149 /nfs/dbraw/zinc/06/41/49/532064149.db2.gz FOXASFMIWYJKAD-DOMZBBRYSA-N 1 0 380.286 2.330 20 0 GEADRO CC[NH+]1CCN(CCC(=O)Nc2cc(Br)ccc2NC(C)=O)CC1 ZINC000174480041 532066771 /nfs/dbraw/zinc/06/67/71/532066771.db2.gz WZGUGHLTYNEPFF-UHFFFAOYSA-N 1 0 397.317 2.374 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000174516439 532067630 /nfs/dbraw/zinc/06/76/30/532067630.db2.gz YCBWZGILTHCJPL-ZDUSSCGKSA-N 1 0 387.933 2.004 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccncc1Br ZINC000122515748 532073396 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CC[NH+](CC)CCNS(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC000175174492 532092170 /nfs/dbraw/zinc/09/21/70/532092170.db2.gz COMJGZLZJXIEBL-UHFFFAOYSA-N 1 0 395.319 2.086 20 0 GEADRO C[C@H](CNC(=O)CSCC(=O)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000175154402 532091584 /nfs/dbraw/zinc/09/15/84/532091584.db2.gz NRRGZZIZLOHBBN-CQSZACIVSA-N 1 0 383.945 2.008 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(OC)ccc1Br ZINC000175271706 532096466 /nfs/dbraw/zinc/09/64/66/532096466.db2.gz VXCAQRMTDLBFMU-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO CC1(C)CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC[NH2+]1 ZINC000175428689 532102503 /nfs/dbraw/zinc/10/25/03/532102503.db2.gz ZLZMOQWLMQKFJP-LBPRGKRZSA-N 1 0 380.286 2.012 20 0 GEADRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000175440555 532104358 /nfs/dbraw/zinc/10/43/58/532104358.db2.gz MCNHPBBWPOCBHF-KGLIPLIRSA-N 1 0 384.933 2.476 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1Cl ZINC000175487490 532104769 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CN(CC(=O)Nc1ccc(Br)cn1)CC(C)(C)C[NH+]1CCOCC1 ZINC000124276721 532117713 /nfs/dbraw/zinc/11/77/13/532117713.db2.gz VYBDTNHLNPQTFS-UHFFFAOYSA-N 1 0 399.333 2.073 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000124344966 532119304 /nfs/dbraw/zinc/11/93/04/532119304.db2.gz BJUPZIDGCXFZJN-MNOVXSKESA-N 1 0 377.304 2.206 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)CCCOc1ccc(I)cc1 ZINC000124379518 532119860 /nfs/dbraw/zinc/11/98/60/532119860.db2.gz DZXXDSVXQQJUMF-GFCCVEGCSA-N 1 0 388.249 2.271 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)CCNS(=O)(=O)c2cccs2)([NH+](C)C)C1 ZINC000124481792 532121779 /nfs/dbraw/zinc/12/17/79/532121779.db2.gz CBPBFZOOAGOYFF-WMLDXEAASA-N 1 0 387.571 2.043 20 0 GEADRO COc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)ccc1Br ZINC000176038222 532123710 /nfs/dbraw/zinc/12/37/10/532123710.db2.gz JQLSNNWXLDZLJX-UHFFFAOYSA-N 1 0 386.290 2.100 20 0 GEADRO C[C@H]1C[C@H](N(C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC[N@@H+]1C ZINC000123957388 532112192 /nfs/dbraw/zinc/11/21/92/532112192.db2.gz GGIQKQHRJTXCNH-QWHCGFSZSA-N 1 0 387.933 2.097 20 0 GEADRO C[C@@H]1CN(C(=O)CN(C)[C@@H](CO)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000125611863 532139188 /nfs/dbraw/zinc/13/91/88/532139188.db2.gz OTKZKZQFXRLPDO-IOASZLSFSA-N 1 0 385.302 2.050 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000124590853 532125380 /nfs/dbraw/zinc/12/53/80/532125380.db2.gz JUPLRPJSUPLCIQ-LBPRGKRZSA-N 1 0 384.318 2.319 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000176257117 532131447 /nfs/dbraw/zinc/13/14/47/532131447.db2.gz ISQQBXLZJJPEOM-AWEZNQCLSA-N 1 0 380.539 2.500 20 0 GEADRO O=C(CSCC(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCC(O)CC1 ZINC000176353237 532135025 /nfs/dbraw/zinc/13/50/25/532135025.db2.gz LMYLWKVIBWLXMF-UHFFFAOYSA-N 1 0 384.929 2.219 20 0 GEADRO CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000176377212 532135265 /nfs/dbraw/zinc/13/52/65/532135265.db2.gz ONPGVCGBONWXPA-UHFFFAOYSA-N 1 0 375.922 2.050 20 0 GEADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000125497910 532137544 /nfs/dbraw/zinc/13/75/44/532137544.db2.gz KLNJWSAOJGWFFO-GFCCVEGCSA-N 1 0 398.301 2.247 20 0 GEADRO CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000176813008 532150677 /nfs/dbraw/zinc/15/06/77/532150677.db2.gz JEBCZVFRZDIRQD-UHFFFAOYSA-N 1 0 394.324 2.068 20 0 GEADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000127429970 532154159 /nfs/dbraw/zinc/15/41/59/532154159.db2.gz SNXGVQXOPYWERK-UHFFFAOYSA-N 1 0 391.269 2.339 20 0 GEADRO CC(C)C[C@H](CNC(=O)CNC(=O)c1ccc(Br)s1)[NH+](C)C ZINC000125934138 532144442 /nfs/dbraw/zinc/14/44/42/532144442.db2.gz YREQTAKNFBVTQX-LLVKDONJSA-N 1 0 390.347 2.333 20 0 GEADRO C[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000176637915 532144976 /nfs/dbraw/zinc/14/49/76/532144976.db2.gz ADFWBKSKOZKPTH-LBPRGKRZSA-N 1 0 384.318 2.271 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000176697657 532146838 /nfs/dbraw/zinc/14/68/38/532146838.db2.gz AXEWMGVKLBEOGR-GJZGRUSLSA-N 1 0 382.302 2.168 20 0 GEADRO C[NH+](C)CCn1nnnc1S[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000126453103 532148152 /nfs/dbraw/zinc/14/81/52/532148152.db2.gz ZZTJNTJBYMLKAC-CQSZACIVSA-N 1 0 380.905 2.176 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C2)c(Cl)cc1Cl ZINC000126431420 532148402 /nfs/dbraw/zinc/14/84/02/532148402.db2.gz DEQURPVOVZUTDO-SNVBAGLBSA-N 1 0 394.324 2.019 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000126432704 532148529 /nfs/dbraw/zinc/14/85/29/532148529.db2.gz BDMGLDOFOHLBFI-DOMZBBRYSA-N 1 0 390.347 2.405 20 0 GEADRO C[NH+](C)CCn1nnnc1SCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000128734501 532167347 /nfs/dbraw/zinc/16/73/47/532167347.db2.gz QCSGHFSNWQYSHO-AWEZNQCLSA-N 1 0 382.559 2.292 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c(Br)c1 ZINC000128987388 532170474 /nfs/dbraw/zinc/17/04/74/532170474.db2.gz CBCWJIUXRCGPAQ-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000127672974 532155902 /nfs/dbraw/zinc/15/59/02/532155902.db2.gz KMSMSMKYDHPUCW-ZFWWWQNUSA-N 1 0 394.313 2.088 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cc2cc(Cl)ccc2s1)N1CC[NH+](C)CC1 ZINC000176935228 532156928 /nfs/dbraw/zinc/15/69/28/532156928.db2.gz KWOLIZXQOYFANQ-GFCCVEGCSA-N 1 0 387.958 2.469 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000127986608 532160456 /nfs/dbraw/zinc/16/04/56/532160456.db2.gz VTWLDBNCJMURKF-UHFFFAOYSA-N 1 0 386.290 2.291 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)CSc2nnc(-c3cccs3)n2C)C[N@@H+]1C1CC1 ZINC000177072960 532160807 /nfs/dbraw/zinc/16/08/07/532160807.db2.gz AYGUHDVDFWARLX-NWDGAFQWSA-N 1 0 377.539 2.377 20 0 GEADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000128108362 532161289 /nfs/dbraw/zinc/16/12/89/532161289.db2.gz PXPKBTKDXMCTCW-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000177134606 532162309 /nfs/dbraw/zinc/16/23/09/532162309.db2.gz ZXNVFPXMOJOKBA-UHFFFAOYSA-N 1 0 394.317 2.081 20 0 GEADRO C[C@H](NC(=O)C[NH2+]C1(C(N)=O)CCCCC1)c1ccc(Br)cc1 ZINC000177126052 532162731 /nfs/dbraw/zinc/16/27/31/532162731.db2.gz ZLRPJAJKHJRZST-LBPRGKRZSA-N 1 0 382.302 2.404 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177146155 532162753 /nfs/dbraw/zinc/16/27/53/532162753.db2.gz MIRGFDXSOYYBDJ-CQSZACIVSA-N 1 0 398.345 2.359 20 0 GEADRO COCC[N@H+](C)CCNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000128375455 532163788 /nfs/dbraw/zinc/16/37/88/532163788.db2.gz WRZPOIPGROCOTK-KRWDZBQOSA-N 1 0 398.345 2.280 20 0 GEADRO Brc1cc(CN2CCN(CC[NH+]3CCCC3)CC2)cc2c1OCO2 ZINC000177781606 532183243 /nfs/dbraw/zinc/18/32/43/532183243.db2.gz DTDAUSSEYSGRGH-UHFFFAOYSA-N 1 0 396.329 2.391 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000129819379 532184657 /nfs/dbraw/zinc/18/46/57/532184657.db2.gz NITYNYOMOOLQOY-ZDUSSCGKSA-N 1 0 387.933 2.098 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000129232245 532175184 /nfs/dbraw/zinc/17/51/84/532175184.db2.gz YGTCZYNWZTVWEM-AWEZNQCLSA-N 1 0 377.304 2.126 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000178103102 532193706 /nfs/dbraw/zinc/19/37/06/532193706.db2.gz XWNLJZXLJOHRBK-CYBMUJFWSA-N 1 0 383.286 2.252 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)Cc1cc(Cl)ccc1F)N1CC[NH+](C)CC1 ZINC000131314914 532195489 /nfs/dbraw/zinc/19/54/89/532195489.db2.gz SAWDRADCGPWFSW-QGZVFWFLSA-N 1 0 391.940 2.171 20 0 GEADRO CCCN(CC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000178283565 532198061 /nfs/dbraw/zinc/19/80/61/532198061.db2.gz WTJHGALUNQIUOG-GFCCVEGCSA-N 1 0 378.947 2.259 20 0 GEADRO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cc2c(cc1Br)OCCO2 ZINC000177914585 532186346 /nfs/dbraw/zinc/18/63/46/532186346.db2.gz HQOYOTIJNVDXAI-JTQLQIEISA-N 1 0 384.274 2.414 20 0 GEADRO NS(=O)(=O)CC1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000129903799 532186525 /nfs/dbraw/zinc/18/65/25/532186525.db2.gz PEIUZNYXEAQPAA-UHFFFAOYSA-N 1 0 380.432 2.475 20 0 GEADRO O=C(Cc1cccc(I)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000129989644 532187802 /nfs/dbraw/zinc/18/78/02/532187802.db2.gz UYFLPWDVSOQZHJ-ZDUSSCGKSA-N 1 0 384.261 2.434 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1=O ZINC000177963098 532187910 /nfs/dbraw/zinc/18/79/10/532187910.db2.gz ILJJGIUECFARFU-UHFFFAOYSA-N 1 0 383.290 2.240 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000177972082 532188647 /nfs/dbraw/zinc/18/86/47/532188647.db2.gz UWCALTYWSRPHTO-ZDUSSCGKSA-N 1 0 385.306 2.486 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130056285 532189451 /nfs/dbraw/zinc/18/94/51/532189451.db2.gz IASUILRTUUDDSR-OAHLLOKOSA-N 1 0 388.295 2.285 20 0 GEADRO COC[C@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000178003916 532189938 /nfs/dbraw/zinc/18/99/38/532189938.db2.gz ZNGXTYQFPCERSE-KRWDZBQOSA-N 1 0 382.913 2.466 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000178016192 532190351 /nfs/dbraw/zinc/19/03/51/532190351.db2.gz CTZKKOHPLWEKFL-RYUDHWBXSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1Cl)C[NH+]1CCN(C)CC1 ZINC000178555538 532205333 /nfs/dbraw/zinc/20/53/33/532205333.db2.gz ZYVSJCATKNWYTA-LLVKDONJSA-N 1 0 378.826 2.367 20 0 GEADRO COCCCNC(=O)C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000178604001 532206895 /nfs/dbraw/zinc/20/68/95/532206895.db2.gz ZWTCLSSNVTWPOX-QGZVFWFLSA-N 1 0 399.329 2.347 20 0 GEADRO Cc1ncsc1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000132362196 532214139 /nfs/dbraw/zinc/21/41/39/532214139.db2.gz DNEIWPMYMWZUMH-ZDUSSCGKSA-N 1 0 381.523 2.323 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000178827825 532214238 /nfs/dbraw/zinc/21/42/38/532214238.db2.gz WIWIBYTZSDZFCJ-HNNXBMFYSA-N 1 0 396.329 2.350 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000178861263 532214351 /nfs/dbraw/zinc/21/43/51/532214351.db2.gz JKSJCTDKWRNTEY-SNVBAGLBSA-N 1 0 389.315 2.052 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178851302 532214660 /nfs/dbraw/zinc/21/46/60/532214660.db2.gz YUQFGLSLZKRKAC-AWEZNQCLSA-N 1 0 385.277 2.311 20 0 GEADRO CCCN(C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000178897808 532216619 /nfs/dbraw/zinc/21/66/19/532216619.db2.gz DDMNNVLTJZLHFE-HZPDHXFCSA-N 1 0 394.313 2.403 20 0 GEADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000178925863 532217653 /nfs/dbraw/zinc/21/76/53/532217653.db2.gz BMXIKGSSKFAUQZ-QMMMGPOBSA-N 1 0 383.258 2.475 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2csc(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000131685914 532202412 /nfs/dbraw/zinc/20/24/12/532202412.db2.gz YUOYWSHESXUONZ-IAQYHMDHSA-N 1 0 399.563 2.270 20 0 GEADRO O=C1CCC(=O)N1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000178513544 532204286 /nfs/dbraw/zinc/20/42/86/532204286.db2.gz JFWBTUZRJOCUFG-UHFFFAOYSA-N 1 0 381.270 2.193 20 0 GEADRO C[C@H](CC[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)[S@@](C)=O ZINC000133420916 532234357 /nfs/dbraw/zinc/23/43/57/532234357.db2.gz NYSFWIIYSNKNBP-BZQUYTCOSA-N 1 0 388.961 2.298 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179089222 532221430 /nfs/dbraw/zinc/22/14/30/532221430.db2.gz HSFPOXNISROMFP-QMMMGPOBSA-N 1 0 394.640 2.387 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)c(F)cc1Br ZINC000132926796 532223985 /nfs/dbraw/zinc/22/39/85/532223985.db2.gz KZMPYGRQNJQLLU-JTQLQIEISA-N 1 0 376.245 2.093 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000133655134 532240561 /nfs/dbraw/zinc/24/05/61/532240561.db2.gz LSKYOMRGDGDYRQ-HUUCEWRRSA-N 1 0 397.361 2.418 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000179674703 532241170 /nfs/dbraw/zinc/24/11/70/532241170.db2.gz VSFMGNWRBDAWEA-MRXNPFEDSA-N 1 0 385.961 2.439 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000133736356 532241810 /nfs/dbraw/zinc/24/18/10/532241810.db2.gz XQTGZNQQXVACCV-GJZGRUSLSA-N 1 0 395.345 2.475 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179777016 532243964 /nfs/dbraw/zinc/24/39/64/532243964.db2.gz WKAFNBPVVRUJFG-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000179790651 532244120 /nfs/dbraw/zinc/24/41/20/532244120.db2.gz GREOVCUVYSMDHI-YHWZYXNKSA-N 1 0 395.301 2.223 20 0 GEADRO C[NH+](C)CCNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000133870088 532244348 /nfs/dbraw/zinc/24/43/48/532244348.db2.gz AAHBOTQGFJOPHD-LLVKDONJSA-N 1 0 379.814 2.193 20 0 GEADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(OC)ccc1Br ZINC000133875316 532244629 /nfs/dbraw/zinc/24/46/29/532244629.db2.gz QDQNSFOKUPVLQR-UHFFFAOYSA-N 1 0 379.320 2.468 20 0 GEADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cccnc1Br)C(C)C ZINC000179817888 532244977 /nfs/dbraw/zinc/24/49/77/532244977.db2.gz ZTGZUMCLTJEUGZ-UHFFFAOYSA-N 1 0 385.306 2.408 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000133902103 532245429 /nfs/dbraw/zinc/24/54/29/532245429.db2.gz XRXTUKNYJJRFMQ-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 ZINC000179555706 532236147 /nfs/dbraw/zinc/23/61/47/532236147.db2.gz HHULBJJSYYRJGT-UHFFFAOYSA-N 1 0 389.315 2.019 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccnc1Br)[NH+]1CCC(C)CC1 ZINC000179593324 532237186 /nfs/dbraw/zinc/23/71/86/532237186.db2.gz LNPKEOLMUQHFNI-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000179618524 532238833 /nfs/dbraw/zinc/23/88/33/532238833.db2.gz UEJONKHMLLCUKF-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO COC(=O)[C@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000135371957 532270826 /nfs/dbraw/zinc/27/08/26/532270826.db2.gz RYLNKZIEHFCKQB-MRXNPFEDSA-N 1 0 399.285 2.024 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180097578 532257968 /nfs/dbraw/zinc/25/79/68/532257968.db2.gz BDDUPLZETYCZCO-JTQLQIEISA-N 1 0 382.349 2.176 20 0 GEADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000134535686 532258710 /nfs/dbraw/zinc/25/87/10/532258710.db2.gz ANCMVQZBYVTPFM-UHFFFAOYSA-N 1 0 383.286 2.340 20 0 GEADRO C[C@H](CCS(C)(=O)=O)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000134708105 532261909 /nfs/dbraw/zinc/26/19/09/532261909.db2.gz GESFGYIIGQXKLP-CQSZACIVSA-N 1 0 387.571 2.083 20 0 GEADRO O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180233772 532262217 /nfs/dbraw/zinc/26/22/17/532262217.db2.gz KHHFERZTPKJSJM-KRWDZBQOSA-N 1 0 382.551 2.184 20 0 GEADRO CC1CC[NH+](CC(=O)NCCCNC(=O)c2cccc(Br)c2)CC1 ZINC000135586121 532276919 /nfs/dbraw/zinc/27/69/19/532276919.db2.gz MHJFJWHGDBVPCO-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc([S@@](C)=O)cc1 ZINC000180800597 532281473 /nfs/dbraw/zinc/28/14/73/532281473.db2.gz JYPWVOAGCXMMKX-FNODVLLQSA-N 1 0 394.509 2.339 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)CS(C)(=O)=O ZINC000180819305 532282981 /nfs/dbraw/zinc/28/29/81/532282981.db2.gz NXSXSJFKOWLGLV-GHMZBOCLSA-N 1 0 377.304 2.189 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000136324457 532283602 /nfs/dbraw/zinc/28/36/02/532283602.db2.gz MUJZMBBGGBHHSA-CYBMUJFWSA-N 1 0 398.301 2.385 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)CCS(=O)(=O)N(C)C)c1ccccc1Cl ZINC000136251976 532284216 /nfs/dbraw/zinc/28/42/16/532284216.db2.gz ZUEBHIZCYQBTLF-MRXNPFEDSA-N 1 0 389.949 2.121 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccc(Cl)nc1 ZINC000180984351 532287316 /nfs/dbraw/zinc/28/73/16/532287316.db2.gz ZWCFODYIALZOHB-ZDUSSCGKSA-N 1 0 387.933 2.359 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2cccs2)cc1 ZINC000181042271 532288756 /nfs/dbraw/zinc/28/87/56/532288756.db2.gz VYLMLYVKZUAMLF-OLZOCXBDSA-N 1 0 381.523 2.012 20 0 GEADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137020567 532288762 /nfs/dbraw/zinc/28/87/62/532288762.db2.gz QRONUCWNULGYEE-ZDUSSCGKSA-N 1 0 390.285 2.240 20 0 GEADRO O=C1NCCCN1C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000135446702 532274010 /nfs/dbraw/zinc/27/40/10/532274010.db2.gz MZHTZSNTNIPKKH-INIZCTEOSA-N 1 0 382.302 2.362 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000139766213 532293940 /nfs/dbraw/zinc/29/39/40/532293940.db2.gz DIKUCUMASLKVFK-CQSZACIVSA-N 1 0 383.290 2.171 20 0 GEADRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)Cn2cc(Br)cn2)C1=O ZINC000181287989 532294980 /nfs/dbraw/zinc/29/49/80/532294980.db2.gz KLWALFZTZKTZGP-OCCSQVGLSA-N 1 0 393.285 2.438 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c(Br)n1 ZINC000181341184 532295879 /nfs/dbraw/zinc/29/58/79/532295879.db2.gz QMYZCJPGOGIROE-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO C[NH+](C)CCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000181368392 532296510 /nfs/dbraw/zinc/29/65/10/532296510.db2.gz NXNWFKGVGODRDW-UHFFFAOYSA-N 1 0 388.921 2.198 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000181447719 532299681 /nfs/dbraw/zinc/29/96/81/532299681.db2.gz YGAANSLZIAQGMG-STQMWFEESA-N 1 0 397.317 2.267 20 0 GEADRO Cn1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc(Br)c1=O ZINC000182034703 532308523 /nfs/dbraw/zinc/30/85/23/532308523.db2.gz OQNXDBWUUVEWKB-LBPRGKRZSA-N 1 0 383.290 2.097 20 0 GEADRO COc1cc(Br)ccc1CCC[N@H+](C)CC(=O)N1CCOCC1 ZINC000181532216 532300705 /nfs/dbraw/zinc/30/07/05/532300705.db2.gz VLIYOWQOFFQRJL-UHFFFAOYSA-N 1 0 385.302 2.181 20 0 GEADRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000181532155 532300856 /nfs/dbraw/zinc/30/08/56/532300856.db2.gz JCVXLKOOLLIEOJ-ZDUSSCGKSA-N 1 0 382.507 2.366 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1N(C)C ZINC000181638006 532304154 /nfs/dbraw/zinc/30/41/54/532304154.db2.gz JWHZHBIQUCBXSX-TZMCWYRMSA-N 1 0 386.514 2.439 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)ccc1OC(F)F ZINC000181679764 532305446 /nfs/dbraw/zinc/30/54/46/532305446.db2.gz CKOGLEWHDWSFPN-VXGBXAGGSA-N 1 0 378.441 2.229 20 0 GEADRO CCO[C@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C12CCC2 ZINC000181741513 532305802 /nfs/dbraw/zinc/30/58/02/532305802.db2.gz IOXONYMLACAPSS-KBPBESRZSA-N 1 0 384.464 2.485 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000181791479 532306754 /nfs/dbraw/zinc/30/67/54/532306754.db2.gz PYYAFEYKQBKFNZ-JTQLQIEISA-N 1 0 375.803 2.290 20 0 GEADRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccccc1Br ZINC000181964809 532307784 /nfs/dbraw/zinc/30/77/84/532307784.db2.gz OOLGTFZZZYZVIK-NHYWBVRUSA-N 1 0 398.301 2.036 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cc(Br)ccc3F)C2)CC1 ZINC000137694742 532291062 /nfs/dbraw/zinc/29/10/62/532291062.db2.gz HAMAXBUUPVRMON-MRXNPFEDSA-N 1 0 398.320 2.369 20 0 GEADRO C[NH+]1CCC(CCNC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000183364353 532324145 /nfs/dbraw/zinc/32/41/45/532324145.db2.gz AXXQUFYKXRJJGL-UHFFFAOYSA-N 1 0 396.285 2.242 20 0 GEADRO Cc1c(C(=O)NCC2(C)CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000183374181 532324173 /nfs/dbraw/zinc/32/41/73/532324173.db2.gz MWVKCAYTNPGHOR-UHFFFAOYSA-N 1 0 392.301 2.458 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000182196713 532309895 /nfs/dbraw/zinc/30/98/95/532309895.db2.gz MPSGREFCQATGKX-AWEZNQCLSA-N 1 0 384.311 2.463 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000182592064 532314881 /nfs/dbraw/zinc/31/48/81/532314881.db2.gz ZLASQDOJVBDUCX-STQMWFEESA-N 1 0 375.332 2.298 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cnc1Br ZINC000182673902 532316679 /nfs/dbraw/zinc/31/66/79/532316679.db2.gz LHURZPNQSGLTDF-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cccc(Br)n1 ZINC000182821884 532318329 /nfs/dbraw/zinc/31/83/29/532318329.db2.gz YJVVWCVBDKEZNL-CABCVRRESA-N 1 0 390.281 2.209 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCc1ccc(Br)cc1 ZINC000182965659 532320003 /nfs/dbraw/zinc/32/00/03/532320003.db2.gz XADIXPNKUCGYQY-UHFFFAOYSA-N 1 0 397.361 2.271 20 0 GEADRO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000183213489 532322154 /nfs/dbraw/zinc/32/21/54/532322154.db2.gz PHJFKWBRZAVMGM-SDDRHHMPSA-N 1 0 388.249 2.321 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000183263128 532322566 /nfs/dbraw/zinc/32/25/66/532322566.db2.gz ZVLKHJPORMJZNG-NSHDSACASA-N 1 0 377.304 2.109 20 0 GEADRO COC(=O)CN1CCC([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000183276611 532322684 /nfs/dbraw/zinc/32/26/84/532322684.db2.gz CTGZYJSGBTUGFS-OAHLLOKOSA-N 1 0 396.329 2.255 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)NCC(F)(F)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185110269 532336857 /nfs/dbraw/zinc/33/68/57/532336857.db2.gz UGZQFTGHXZEHBS-FZMZJTMJSA-N 1 0 379.810 2.399 20 0 GEADRO COCCC[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(Br)cc1 ZINC000185201366 532337202 /nfs/dbraw/zinc/33/72/02/532337202.db2.gz XRZRIPLUCRDAPD-AWEZNQCLSA-N 1 0 384.274 2.058 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3ccc(Br)cc3N)CC2)CC1 ZINC000185255291 532337290 /nfs/dbraw/zinc/33/72/90/532337290.db2.gz RYAXAHDYFJICIT-UHFFFAOYSA-N 1 0 395.345 2.320 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000185331031 532337614 /nfs/dbraw/zinc/33/76/14/532337614.db2.gz TUEVBPPJAUXZGL-CYBMUJFWSA-N 1 0 394.368 2.439 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000185400719 532337740 /nfs/dbraw/zinc/33/77/40/532337740.db2.gz AZTHSHLVAMJUHZ-UHFFFAOYSA-N 1 0 386.949 2.329 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(Br)cc1 ZINC000185689251 532338425 /nfs/dbraw/zinc/33/84/25/532338425.db2.gz SCFVYKWDGGIOOU-AWEZNQCLSA-N 1 0 383.334 2.274 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(Br)cc1 ZINC000185689268 532338529 /nfs/dbraw/zinc/33/85/29/532338529.db2.gz SCFVYKWDGGIOOU-CQSZACIVSA-N 1 0 383.334 2.274 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)NCCc1ccc(I)s1 ZINC000185923211 532339072 /nfs/dbraw/zinc/33/90/72/532339072.db2.gz NNRSKMKIUQEQEG-UHFFFAOYSA-N 1 0 395.310 2.488 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000186857877 532342404 /nfs/dbraw/zinc/34/24/04/532342404.db2.gz WOZOYNRXQFDKBF-KCXAZCMYSA-N 1 0 394.313 2.168 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000186977992 532342829 /nfs/dbraw/zinc/34/28/29/532342829.db2.gz VTQFMRMDEHANSS-CQSZACIVSA-N 1 0 384.318 2.402 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000186971854 532342843 /nfs/dbraw/zinc/34/28/43/532342843.db2.gz OZUQSEIAUWZURS-IUODEOHRSA-N 1 0 397.313 2.229 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000186982938 532342854 /nfs/dbraw/zinc/34/28/54/532342854.db2.gz MVVJCZQHBBRMSG-JTQLQIEISA-N 1 0 394.310 2.448 20 0 GEADRO CSCC[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1nnc2ccccn21 ZINC000186952989 532342902 /nfs/dbraw/zinc/34/29/02/532342902.db2.gz DHGXCPQZMOADTR-ZFWWWQNUSA-N 1 0 382.555 2.326 20 0 GEADRO CCCNC(=O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000186989547 532342998 /nfs/dbraw/zinc/34/29/98/532342998.db2.gz SFFAMAZJADZRBB-UHFFFAOYSA-N 1 0 379.096 2.410 20 0 GEADRO CSc1ccccc1C[C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000183601206 532326601 /nfs/dbraw/zinc/32/66/01/532326601.db2.gz XYYRHOZVIXOPJI-NVXWUHKLSA-N 1 0 386.583 2.418 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183670196 532327256 /nfs/dbraw/zinc/32/72/56/532327256.db2.gz PQGRYWSUFTXFGH-YGRLFVJLSA-N 1 0 396.285 2.192 20 0 GEADRO Cc1[nH]c(=S)sc1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000183767192 532328757 /nfs/dbraw/zinc/32/87/57/532328757.db2.gz XKLHVXXKNQDTFI-OAHLLOKOSA-N 1 0 377.535 2.166 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183835652 532329388 /nfs/dbraw/zinc/32/93/88/532329388.db2.gz VQGOOAZCNYQSCD-GHMZBOCLSA-N 1 0 396.285 2.383 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000184075015 532330774 /nfs/dbraw/zinc/33/07/74/532330774.db2.gz ZQJAMKRPOIMMRW-GFCCVEGCSA-N 1 0 394.317 2.081 20 0 GEADRO COc1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)ccc1Br ZINC000184087217 532330901 /nfs/dbraw/zinc/33/09/01/532330901.db2.gz VBTJGSHVDCJZAD-UHFFFAOYSA-N 1 0 379.320 2.324 20 0 GEADRO Cc1cc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cnc1Br ZINC000184622836 532333859 /nfs/dbraw/zinc/33/38/59/532333859.db2.gz GIJRBWPERRUFNK-ZDUSSCGKSA-N 1 0 384.322 2.300 20 0 GEADRO CC[N@H+](CC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)C1CC1 ZINC000184634798 532333909 /nfs/dbraw/zinc/33/39/09/532333909.db2.gz UOZZRSXRHTYOTG-INIZCTEOSA-N 1 0 394.313 2.463 20 0 GEADRO CC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H](C)Cc1ccsc1 ZINC000187796782 532345567 /nfs/dbraw/zinc/34/55/67/532345567.db2.gz ULPCQBGXXAVRGS-CYBMUJFWSA-N 1 0 381.523 2.287 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000187866528 532345938 /nfs/dbraw/zinc/34/59/38/532345938.db2.gz CXTCZWIUMYCHRH-HNNXBMFYSA-N 1 0 395.345 2.395 20 0 GEADRO Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)sc1Cl ZINC000188035532 532346361 /nfs/dbraw/zinc/34/63/61/532346361.db2.gz LRCPENLXEUEWIN-LBPRGKRZSA-N 1 0 380.963 2.423 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000188082249 532346444 /nfs/dbraw/zinc/34/64/44/532346444.db2.gz AECHXIDVFVGKIP-UHFFFAOYSA-N 1 0 398.331 2.437 20 0 GEADRO COc1nc(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)ncc1Br ZINC000191351726 532360566 /nfs/dbraw/zinc/36/05/66/532360566.db2.gz AUHKDCJEIIEOGI-CQSZACIVSA-N 1 0 399.333 2.311 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000188161631 532347011 /nfs/dbraw/zinc/34/70/11/532347011.db2.gz YRYVYFIRWGBFDY-HNNXBMFYSA-N 1 0 381.314 2.481 20 0 GEADRO C[C@@H](CNC(=O)Cc1ccc(F)cc1Br)C[NH+]1CCN(C)CC1 ZINC000188177865 532347158 /nfs/dbraw/zinc/34/71/58/532347158.db2.gz TWTBSALINZHDOB-ZDUSSCGKSA-N 1 0 386.309 2.130 20 0 GEADRO CCC(CC)[C@@H](CNS(=O)(=O)c1c(C)csc1C(=O)OC)[NH+](C)C ZINC000188209746 532347391 /nfs/dbraw/zinc/34/73/91/532347391.db2.gz CEEVPHHTWNQLPZ-CYBMUJFWSA-N 1 0 376.544 2.488 20 0 GEADRO COC[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)C1CCOCC1 ZINC000188237560 532347499 /nfs/dbraw/zinc/34/74/99/532347499.db2.gz BFPXUTMVQMXMEF-HOCLYGCPSA-N 1 0 388.302 2.220 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1Br ZINC000188383054 532347956 /nfs/dbraw/zinc/34/79/56/532347956.db2.gz CGGKKPJRWZMPMD-UHFFFAOYSA-N 1 0 398.301 2.388 20 0 GEADRO C[C@@H]1CN(C(=O)COc2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188682741 532349081 /nfs/dbraw/zinc/34/90/81/532349081.db2.gz WJDNPFNUCZBDOW-CYBMUJFWSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H](O)C[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000188730280 532349309 /nfs/dbraw/zinc/34/93/09/532349309.db2.gz DOUFLHXNDKWTNV-CYBMUJFWSA-N 1 0 385.302 2.109 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1Br ZINC000188722575 532349333 /nfs/dbraw/zinc/34/93/33/532349333.db2.gz IRZRNTQIQVVXLA-LBPRGKRZSA-N 1 0 398.301 2.196 20 0 GEADRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188741373 532349383 /nfs/dbraw/zinc/34/93/83/532349383.db2.gz JONVXRAZFCANKR-XJKSGUPXSA-N 1 0 396.329 2.419 20 0 GEADRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188752377 532349558 /nfs/dbraw/zinc/34/95/58/532349558.db2.gz HDJNBZOBVNNJTJ-INIZCTEOSA-N 1 0 396.329 2.386 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2ncc(Br)s2)CC1 ZINC000189003169 532350575 /nfs/dbraw/zinc/35/05/75/532350575.db2.gz FNFWQOCOUUPZJF-UHFFFAOYSA-N 1 0 375.336 2.053 20 0 GEADRO Cn1nc2c(cc1=O)C[N@@H+](CCOc1cc(F)cc(Br)c1)CC2 ZINC000189054460 532350616 /nfs/dbraw/zinc/35/06/16/532350616.db2.gz JHNFFTILQPVQNX-UHFFFAOYSA-N 1 0 382.233 2.119 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000189124760 532351000 /nfs/dbraw/zinc/35/10/00/532351000.db2.gz XDYKOOKUOOGUHQ-UHFFFAOYSA-N 1 0 399.866 2.275 20 0 GEADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000189310438 532351847 /nfs/dbraw/zinc/35/18/47/532351847.db2.gz HKRMOYSZUSHQSU-CMPLNLGQSA-N 1 0 381.782 2.016 20 0 GEADRO Cc1cc(NC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1Br ZINC000189417865 532352087 /nfs/dbraw/zinc/35/20/87/532352087.db2.gz UUSWSSAOZNKTMM-AWEZNQCLSA-N 1 0 398.345 2.473 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1scc(C)c1I ZINC000189645437 532353138 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C[C@H]1CN(C(=O)NCc2cc(Br)cs2)CC[N@@H+]1CC(C)(C)O ZINC000187556362 532344791 /nfs/dbraw/zinc/34/47/91/532344791.db2.gz LDCXTSMFQQPFPA-NSHDSACASA-N 1 0 390.347 2.497 20 0 GEADRO C[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187716603 532345289 /nfs/dbraw/zinc/34/52/89/532345289.db2.gz OEPFLQRZTPXQLW-QWHCGFSZSA-N 1 0 376.473 2.080 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000187734502 532345343 /nfs/dbraw/zinc/34/53/43/532345343.db2.gz CNDXJMNROQXODM-UHFFFAOYSA-N 1 0 390.228 2.218 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)CCO1 ZINC000647235327 532372284 /nfs/dbraw/zinc/37/22/84/532372284.db2.gz WTERLAGSGNBVRX-SMDDNHRTSA-N 1 0 399.310 2.339 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000515834078 532372550 /nfs/dbraw/zinc/37/25/50/532372550.db2.gz NZRIYBSGOBOQRR-UHFFFAOYSA-N 1 0 377.428 2.266 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)[C@H](C)C[NH2+]1 ZINC000647250671 532372670 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GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(c2ccccc2Br)CC1 ZINC000191557100 532361350 /nfs/dbraw/zinc/36/13/50/532361350.db2.gz GKQUDPUMZXAXNH-AWEZNQCLSA-N 1 0 380.330 2.233 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1=O ZINC000371906333 532361955 /nfs/dbraw/zinc/36/19/55/532361955.db2.gz TVNPPDWHNOKTEE-WHOFXGATSA-N 1 0 395.301 2.096 20 0 GEADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191679843 532362103 /nfs/dbraw/zinc/36/21/03/532362103.db2.gz VJGGYFJIYXFVKW-OAHLLOKOSA-N 1 0 396.329 2.244 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000277766021 532362494 /nfs/dbraw/zinc/36/24/94/532362494.db2.gz ZLIZGWGZDJNSDJ-XHDPSFHLSA-N 1 0 387.933 2.145 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277763369 532362988 /nfs/dbraw/zinc/36/29/88/532362988.db2.gz XJIUPSDZXOZMFO-UHFFFAOYSA-N 1 0 375.922 2.275 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(Br)ccc1Br ZINC000191715490 532363554 /nfs/dbraw/zinc/36/35/54/532363554.db2.gz BKDKPAPHXBNPIB-MRVPVSSYSA-N 1 0 377.080 2.431 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646998118 532363516 /nfs/dbraw/zinc/36/35/16/532363516.db2.gz PPEXUHFGWNNXMC-MNOVXSKESA-N 1 0 389.315 2.161 20 0 GEADRO CC[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000647005121 532363665 /nfs/dbraw/zinc/36/36/65/532363665.db2.gz WBIJQSPPXLEDIS-KGLIPLIRSA-N 1 0 385.555 2.122 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646990963 532363707 /nfs/dbraw/zinc/36/37/07/532363707.db2.gz IQYWJYJINBJCLQ-UHFFFAOYSA-N 1 0 389.315 2.114 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@H]1[NH3+] ZINC000647008369 532363807 /nfs/dbraw/zinc/36/38/07/532363807.db2.gz NNFFQEOKNYQOGT-UHOFOFEASA-N 1 0 394.313 2.388 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCN(c3ccccc3Br)C1=O)C2 ZINC000621682481 532365032 /nfs/dbraw/zinc/36/50/32/532365032.db2.gz HFMQTRVRYPPUAZ-JCGVRSQUSA-N 1 0 392.297 2.142 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C2 ZINC000621699648 532365697 /nfs/dbraw/zinc/36/56/97/532365697.db2.gz ACQQHYNKGOFOMW-GUSZCTEKSA-N 1 0 380.286 2.262 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000589981746 532365939 /nfs/dbraw/zinc/36/59/39/532365939.db2.gz IDANGXAWUVSYPZ-ZIAGYGMSSA-N 1 0 394.313 2.355 20 0 GEADRO C[NH+](C)CCn1nnnc1SCc1noc(-c2c(F)cccc2Cl)n1 ZINC000647116636 532366948 /nfs/dbraw/zinc/36/69/48/532366948.db2.gz JWQIPYIWNYXRFD-UHFFFAOYSA-N 1 0 383.840 2.370 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000557538964 532367445 /nfs/dbraw/zinc/36/74/45/532367445.db2.gz RFCWRCUCDUKTDZ-XJKSGUPXSA-N 1 0 381.929 2.408 20 0 GEADRO CC(C)(O)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000191821056 532368570 /nfs/dbraw/zinc/36/85/70/532368570.db2.gz YPWNHQKXSXYACW-UHFFFAOYSA-N 1 0 385.302 2.179 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)N(C)CC[NH+](C)C)C2=O)ccc1Br ZINC000463217045 532369014 /nfs/dbraw/zinc/36/90/14/532369014.db2.gz AVELXQDCZBLSNX-OAHLLOKOSA-N 1 0 397.317 2.066 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)N(C)CC[NH+](C)C)C2=O)ccc1Br ZINC000463217044 532369192 /nfs/dbraw/zinc/36/91/92/532369192.db2.gz AVELXQDCZBLSNX-HNNXBMFYSA-N 1 0 397.317 2.066 20 0 GEADRO OC[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCC1(F)F ZINC000463220203 532370537 /nfs/dbraw/zinc/37/05/37/532370537.db2.gz QGTALUYFWQMTKP-GXFFZTMASA-N 1 0 398.219 2.277 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372058752 532370545 /nfs/dbraw/zinc/37/05/45/532370545.db2.gz USFILNWFXSANLI-CZUORRHYSA-N 1 0 389.924 2.126 20 0 GEADRO C[C@H](NC(=O)c1cc(Br)c[nH]c1=O)C1([NH+]2CCOCC2)CCCC1 ZINC000621884293 532370738 /nfs/dbraw/zinc/37/07/38/532370738.db2.gz JCDNWBXYESKRDY-LBPRGKRZSA-N 1 0 398.301 2.313 20 0 GEADRO CC(C)(CNC(=O)C(=O)Nc1ccc(Br)cn1)C[NH+]1CCCC1 ZINC000278030272 532371038 /nfs/dbraw/zinc/37/10/38/532371038.db2.gz FECGDQKQBRKZDL-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CCO1 ZINC000647235384 532371318 /nfs/dbraw/zinc/37/13/18/532371318.db2.gz ZCBHPQWQKKSPFB-BDJLRTHQSA-N 1 0 399.310 2.339 20 0 GEADRO CC1([NH3+])CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC000647254366 532371399 /nfs/dbraw/zinc/37/13/99/532371399.db2.gz HTZUHBDXBHRXOH-CYBMUJFWSA-N 1 0 388.917 2.257 20 0 GEADRO CCCC[C@](C)(CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000647240425 532371431 /nfs/dbraw/zinc/37/14/31/532371431.db2.gz OWIOPJJFZCZQDK-CQSZACIVSA-N 1 0 379.320 2.127 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000647234413 532371521 /nfs/dbraw/zinc/37/15/21/532371521.db2.gz QYLAMTFJHDCWRS-GWCFXTLKSA-N 1 0 387.914 2.200 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccccc1OC(C)C ZINC000463276712 532371541 /nfs/dbraw/zinc/37/15/41/532371541.db2.gz AQQZAWXIJAXPAL-UHFFFAOYSA-N 1 0 385.511 2.012 20 0 GEADRO COC(=O)c1coc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000372231927 532378928 /nfs/dbraw/zinc/37/89/28/532378928.db2.gz OJIRFGLFWBMPGA-XHDPSFHLSA-N 1 0 384.479 2.099 20 0 GEADRO COC(=O)C[C@]1([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCOC1 ZINC000463724481 532380330 /nfs/dbraw/zinc/38/03/30/532380330.db2.gz XFHMNTQDNGSKKB-QGZVFWFLSA-N 1 0 394.269 2.447 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)CCC(=O)c1ccc(I)cc1 ZINC000558022174 532380549 /nfs/dbraw/zinc/38/05/49/532380549.db2.gz COCYPVNYCGLHDW-NSHDSACASA-N 1 0 388.249 2.320 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cnc4ccc(Br)cc4c3O)C2)C1 ZINC000558033785 532380924 /nfs/dbraw/zinc/38/09/24/532380924.db2.gz QFUWUZMAMSPAAF-SFHVURJKSA-N 1 0 390.281 2.458 20 0 GEADRO O=C(CCCOc1cccc(Br)c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647708133 532381171 /nfs/dbraw/zinc/38/11/71/532381171.db2.gz JDWLNRBDOPAWTQ-CVEARBPZSA-N 1 0 397.313 2.276 20 0 GEADRO O=C(c1[nH]c2ccccc2c1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706317 532381252 /nfs/dbraw/zinc/38/12/52/532381252.db2.gz HHOTYOITYOHMLE-VXGBXAGGSA-N 1 0 378.270 2.212 20 0 GEADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000677654346 532381277 /nfs/dbraw/zinc/38/12/77/532381277.db2.gz MWKVNEZSEHLWKZ-HNNXBMFYSA-N 1 0 392.352 2.148 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000192053567 532381507 /nfs/dbraw/zinc/38/15/07/532381507.db2.gz PMXWRCMRPWECHH-LLVKDONJSA-N 1 0 384.263 2.413 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C1 ZINC000463771541 532381702 /nfs/dbraw/zinc/38/17/02/532381702.db2.gz VCMWYWMZUYDEGF-UHFFFAOYSA-N 1 0 378.420 2.339 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000294790268 532381877 /nfs/dbraw/zinc/38/18/77/532381877.db2.gz LWEGWUSUQGNNEC-XHSDSOJGSA-N 1 0 377.428 2.481 20 0 GEADRO O=C(CCc1cccc(F)c1Br)NCCC[NH+]1CCC(O)CC1 ZINC000294786625 532381917 /nfs/dbraw/zinc/38/19/17/532381917.db2.gz BCRYENKEZNJZIL-UHFFFAOYSA-N 1 0 387.293 2.484 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000516191551 532382309 /nfs/dbraw/zinc/38/23/09/532382309.db2.gz HAVCWFNYZLVUDW-LBPRGKRZSA-N 1 0 387.933 2.228 20 0 GEADRO CSc1ncc(Cl)c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)n1 ZINC000516207978 532382374 /nfs/dbraw/zinc/38/23/74/532382374.db2.gz ORIZTHFELYKGAT-UHFFFAOYSA-N 1 0 378.889 2.251 20 0 GEADRO C[C@H](CNC(=O)c1cc(Br)nn1C)[N@@H+]1CCc2ccccc2C1 ZINC000192065926 532382580 /nfs/dbraw/zinc/38/25/80/532382580.db2.gz CIYWIEAQNRFGHZ-GFCCVEGCSA-N 1 0 377.286 2.359 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372311949 532383023 /nfs/dbraw/zinc/38/30/23/532383023.db2.gz QBLQPPJNDKBOHS-XJKSGUPXSA-N 1 0 389.924 2.126 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccnc1OCC(F)F ZINC000647905143 532383927 /nfs/dbraw/zinc/38/39/27/532383927.db2.gz FFONOYSOQMLBJN-CHWSQXEVSA-N 1 0 377.457 2.124 20 0 GEADRO C[C@@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000647904615 532384204 /nfs/dbraw/zinc/38/42/04/532384204.db2.gz OKDVLWMFYGGYNQ-ZWNOBZJWSA-N 1 0 376.404 2.398 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000648125710 532385601 /nfs/dbraw/zinc/38/56/01/532385601.db2.gz TZDHEYOHVOTQSN-UHOFOFEASA-N 1 0 381.929 2.441 20 0 GEADRO O=C(Nc1c[nH]cc(Br)c1=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648154457 532386008 /nfs/dbraw/zinc/38/60/08/532386008.db2.gz BCHGAXVMXAHEKA-UHFFFAOYSA-N 1 0 376.254 2.397 20 0 GEADRO C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)c(Br)c2)[C@@H](c2ccccc2)C1 ZINC000372327100 532386063 /nfs/dbraw/zinc/38/60/63/532386063.db2.gz UZMBQLKWOYEQBC-UKRRQHHQSA-N 1 0 376.254 2.377 20 0 GEADRO Cn1ncc(C(=O)Nc2ccccc2CC[NH+](C)C)c1I ZINC000294827630 532386144 /nfs/dbraw/zinc/38/61/44/532386144.db2.gz GUBRNBYMMCCIRH-UHFFFAOYSA-N 1 0 398.248 2.381 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000516467377 532386375 /nfs/dbraw/zinc/38/63/75/532386375.db2.gz AZBKRSCXZKYODL-VXGBXAGGSA-N 1 0 384.318 2.085 20 0 GEADRO O=C1NCCN1CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000558159319 532386651 /nfs/dbraw/zinc/38/66/51/532386651.db2.gz WUSNCEWNZOBYFP-UHFFFAOYSA-N 1 0 382.302 2.455 20 0 GEADRO CC[C@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC[C@@H]1[NH3+] ZINC000648126344 532386704 /nfs/dbraw/zinc/38/67/04/532386704.db2.gz GREGPXPVTZNVLZ-FZMZJTMJSA-N 1 0 383.286 2.349 20 0 GEADRO CC1([NH3+])CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000648120732 532386874 /nfs/dbraw/zinc/38/68/74/532386874.db2.gz NYJOJEFGXSBPES-UHFFFAOYSA-N 1 0 394.324 2.002 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)Nc1cnc2c(Br)cccn12 ZINC000425672930 532388816 /nfs/dbraw/zinc/38/88/16/532388816.db2.gz MBYQJJOUBUGGDD-UHFFFAOYSA-N 1 0 384.278 2.139 20 0 GEADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192150796 532389087 /nfs/dbraw/zinc/38/90/87/532389087.db2.gz AZLRRHQABANXPA-IUODEOHRSA-N 1 0 377.794 2.222 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000558208912 532389066 /nfs/dbraw/zinc/38/90/66/532389066.db2.gz JPPFRXXJMFIXCO-SWLSCSKDSA-N 1 0 382.302 2.006 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H]1COCCN1C ZINC000623926088 532390989 /nfs/dbraw/zinc/39/09/89/532390989.db2.gz YEVZCWZECNFBSU-DGCLKSJQSA-N 1 0 386.290 2.149 20 0 GEADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623915941 532391781 /nfs/dbraw/zinc/39/17/81/532391781.db2.gz XSKFJZUNVUMNAW-OAHLLOKOSA-N 1 0 385.555 2.083 20 0 GEADRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)CCC[N@@H+]1C ZINC000425742976 532392643 /nfs/dbraw/zinc/39/26/43/532392643.db2.gz MPGVNWZKNIWMPP-ONGXEEELSA-N 1 0 375.803 2.479 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC[C@H]1CCC[N@H+](C)C1 ZINC000516847791 532392659 /nfs/dbraw/zinc/39/26/59/532392659.db2.gz KWNZLWJFJBVMPW-UONOGXRCSA-N 1 0 398.345 2.394 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)c1cc(Br)c(Cl)cc1OC ZINC000192213782 532394952 /nfs/dbraw/zinc/39/49/52/532394952.db2.gz PZQJJLKWUHHVSF-UHFFFAOYSA-N 1 0 379.682 2.155 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)Cc2cccs2)c1 ZINC000678584277 532397585 /nfs/dbraw/zinc/39/75/85/532397585.db2.gz LYDRTWGRMIGOSC-CHWSQXEVSA-N 1 0 381.523 2.204 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000624567367 532398051 /nfs/dbraw/zinc/39/80/51/532398051.db2.gz ZWSZJHHDHFQLKH-AWEZNQCLSA-N 1 0 385.555 2.135 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000591037312 532395978 /nfs/dbraw/zinc/39/59/78/532395978.db2.gz DBGNJMLWGWVDQM-JTQLQIEISA-N 1 0 375.238 2.308 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000591023566 532396000 /nfs/dbraw/zinc/39/60/00/532396000.db2.gz AYKXFBWGIZIDJN-NSHDSACASA-N 1 0 387.274 2.178 20 0 GEADRO CCCOc1c(Br)cc(C[NH2+]CCc2nnnn2C)cc1OCC ZINC000678499548 532396615 /nfs/dbraw/zinc/39/66/15/532396615.db2.gz PHTXRCADLKITKJ-UHFFFAOYSA-N 1 0 398.305 2.492 20 0 GEADRO COc1cc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(Br)c1OC ZINC000516916208 532397075 /nfs/dbraw/zinc/39/70/75/532397075.db2.gz ZBUVIFHWFUSMKT-STQMWFEESA-N 1 0 398.301 2.217 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cnc(C)s2)c1 ZINC000678583890 532397165 /nfs/dbraw/zinc/39/71/65/532397165.db2.gz CZBBOVXVEFIMJH-WDEREUQCSA-N 1 0 382.511 2.037 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000279715908 532399695 /nfs/dbraw/zinc/39/96/95/532399695.db2.gz UACHYSOQORXUNA-UHFFFAOYSA-N 1 0 387.571 2.179 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000624615729 532399985 /nfs/dbraw/zinc/39/99/85/532399985.db2.gz GTJNOVJHXGOYGY-AWEZNQCLSA-N 1 0 387.933 2.145 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000559056736 532400087 /nfs/dbraw/zinc/40/00/87/532400087.db2.gz XLOKFVCGWWIHOU-UHFFFAOYSA-N 1 0 376.469 2.279 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCOC1 ZINC000464593163 532400141 /nfs/dbraw/zinc/40/01/41/532400141.db2.gz MAXKSWBPODSCMP-LRDDRELGSA-N 1 0 378.252 2.045 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCCCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000425865923 532400376 /nfs/dbraw/zinc/40/03/76/532400376.db2.gz BJDJLLOHSWIREB-HNNXBMFYSA-N 1 0 375.922 2.067 20 0 GEADRO COC(=O)C[C@]1([NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCOC1 ZINC000464594074 532400667 /nfs/dbraw/zinc/40/06/67/532400667.db2.gz FEWWJEQAFISYPR-QGZVFWFLSA-N 1 0 389.279 2.264 20 0 GEADRO CC[N@H+](C)C[C@H](O)CSc1nc2cc(Cl)ccc2c(=O)n1CCOC ZINC000517041503 532402816 /nfs/dbraw/zinc/40/28/16/532402816.db2.gz UMVHWLJHKBDNBS-ZDUSSCGKSA-N 1 0 385.917 2.101 20 0 GEADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)Cn1cccn1 ZINC000192329077 532402864 /nfs/dbraw/zinc/40/28/64/532402864.db2.gz UWOJWNXGCFKVFI-INIZCTEOSA-N 1 0 396.285 2.072 20 0 GEADRO O=C(C[N@H+]1CCC[C@@H](CO)CC1)Nc1ccc(I)cc1 ZINC000559459253 532403315 /nfs/dbraw/zinc/40/33/15/532403315.db2.gz RHQGNRMOXAGEDO-GFCCVEGCSA-N 1 0 388.249 2.324 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426084043 532401284 /nfs/dbraw/zinc/40/12/84/532401284.db2.gz JIWMWXVYIUTCPD-OAHLLOKOSA-N 1 0 380.286 2.439 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)s1 ZINC000591155068 532401993 /nfs/dbraw/zinc/40/19/93/532401993.db2.gz HRYRCDNILFTHAF-UHFFFAOYSA-N 1 0 379.507 2.286 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)C(=O)NCCc1ccc(Br)cc1 ZINC000559462809 532403742 /nfs/dbraw/zinc/40/37/42/532403742.db2.gz OEAOLRWYWBBTIN-UHFFFAOYSA-N 1 0 396.329 2.100 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)[C@H]2C1 ZINC000559439616 532403838 /nfs/dbraw/zinc/40/38/38/532403838.db2.gz KJUVDMMLFFBDFF-BBRMVZONSA-N 1 0 381.929 2.101 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(Br)cc1F ZINC000591287217 532404257 /nfs/dbraw/zinc/40/42/57/532404257.db2.gz DIWYUBFUGASBIT-ISVAXAHUSA-N 1 0 388.237 2.494 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc(C)c1Br ZINC000426321289 532404605 /nfs/dbraw/zinc/40/46/05/532404605.db2.gz CPKVKEOFRBQPPW-UHFFFAOYSA-N 1 0 391.269 2.050 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000591282815 532404633 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GEADRO Cc1nc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)ccc1Br ZINC000373154109 532434958 /nfs/dbraw/zinc/43/49/58/532434958.db2.gz VPNAQTINBUEKJC-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO CN(CC(=O)N1CCC[C@H](CC[NH3+])C1)C(=O)c1ccc(Br)s1 ZINC000282049569 532441464 /nfs/dbraw/zinc/44/14/64/532441464.db2.gz VGYKJTBYKVDHTA-LLVKDONJSA-N 1 0 388.331 2.170 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428039644 532440921 /nfs/dbraw/zinc/44/09/21/532440921.db2.gz SNDWKPBOHKJWOG-UNEWFSDZSA-N 1 0 380.330 2.480 20 0 GEADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)cs2)cc1 ZINC000428039407 532441099 /nfs/dbraw/zinc/44/10/99/532441099.db2.gz DMLQEIKZCVPHJR-YOEHRIQHSA-N 1 0 377.535 2.397 20 0 GEADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373296461 532441399 /nfs/dbraw/zinc/44/13/99/532441399.db2.gz MFGXWDIPZDAMFO-IACUBPJLSA-N 1 0 375.416 2.205 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000467067101 532438022 /nfs/dbraw/zinc/43/80/22/532438022.db2.gz XVTBWRYCNMBSDH-YMTOWFKASA-N 1 0 384.249 2.126 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccco1)c1cc(Br)cnc1C(N)=O ZINC000561407710 532438605 /nfs/dbraw/zinc/43/86/05/532438605.db2.gz CMVWBBOUMQYEPT-UHFFFAOYSA-N 1 0 381.274 2.494 20 0 GEADRO O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000427961845 532438632 /nfs/dbraw/zinc/43/86/32/532438632.db2.gz ZIHUZYBCWZWNSR-AWEZNQCLSA-N 1 0 382.379 2.489 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)ncc1Br ZINC000193945815 532439038 /nfs/dbraw/zinc/43/90/38/532439038.db2.gz BHOWWAXORLQADW-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO CC(C)(C)c1csc([C@@H]2CN(S(=O)(=O)CC[NH+]3CCCC3)CCO2)n1 ZINC000193957263 532439493 /nfs/dbraw/zinc/43/94/93/532439493.db2.gz NVUWCMAVBQZMNP-AWEZNQCLSA-N 1 0 387.571 2.240 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000518365230 532439650 /nfs/dbraw/zinc/43/96/50/532439650.db2.gz DOTIZBBUDRTAFN-IXDOHACOSA-N 1 0 375.918 2.163 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000518365228 532440170 /nfs/dbraw/zinc/44/01/70/532440170.db2.gz DOTIZBBUDRTAFN-BRWVUGGUSA-N 1 0 375.918 2.163 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC000626835320 532442359 /nfs/dbraw/zinc/44/23/59/532442359.db2.gz KOJHQJJRPCVOKL-TXEJJXNPSA-N 1 0 398.326 2.462 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000626835949 532442706 /nfs/dbraw/zinc/44/27/06/532442706.db2.gz MYFXGWIVGGLPKD-GXSJLCMTSA-N 1 0 386.315 2.366 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000682256784 532443154 /nfs/dbraw/zinc/44/31/54/532443154.db2.gz QIXFDARJUOLQOO-VXGBXAGGSA-N 1 0 377.304 2.219 20 0 GEADRO COCC[NH+]1CCC(N[C@@H](C(=O)OC)c2ccc(Br)cc2)CC1 ZINC000428082973 532443146 /nfs/dbraw/zinc/44/31/46/532443146.db2.gz HPWXTPNVNVJUSN-MRXNPFEDSA-N 1 0 385.302 2.364 20 0 GEADRO O=C(c1cc(I)c[nH]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254459 532443322 /nfs/dbraw/zinc/44/33/22/532443322.db2.gz CVLRZFSMZAIGKI-VXGBXAGGSA-N 1 0 387.265 2.471 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000626845237 532444223 /nfs/dbraw/zinc/44/42/23/532444223.db2.gz WVXLCVKTIZHXHT-ZDUSSCGKSA-N 1 0 388.693 2.497 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000428140201 532445146 /nfs/dbraw/zinc/44/51/46/532445146.db2.gz IEVFNKIHXBSUPF-HUBLWGQQSA-N 1 0 382.302 2.296 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000626836204 532441614 /nfs/dbraw/zinc/44/16/14/532441614.db2.gz SLXSGZNNIQCWIL-BXKDBHETSA-N 1 0 386.315 2.224 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000682193765 532441691 /nfs/dbraw/zinc/44/16/91/532441691.db2.gz YSPSBRKMZRGYKM-LLVKDONJSA-N 1 0 398.301 2.243 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[N@@H+]1C ZINC000467222106 532441704 /nfs/dbraw/zinc/44/17/04/532441704.db2.gz HBKADDNCCRPDCR-BDAKNGLRSA-N 1 0 390.228 2.265 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000626836075 532441770 /nfs/dbraw/zinc/44/17/70/532441770.db2.gz RCGUNBZNMBDRNI-NXEZZACHSA-N 1 0 386.315 2.496 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626837925 532442094 /nfs/dbraw/zinc/44/20/94/532442094.db2.gz MBEMMDJJXIFYMF-LLVKDONJSA-N 1 0 380.286 2.071 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cncc(Br)c2)C1 ZINC000561515842 532442081 /nfs/dbraw/zinc/44/20/81/532442081.db2.gz KEWYZYSYUFIJKZ-CHWSQXEVSA-N 1 0 390.347 2.490 20 0 GEADRO O=C(Cc1c[nH]c2cc(Br)ccc12)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295436895 532446585 /nfs/dbraw/zinc/44/65/85/532446585.db2.gz LDOKYCZTVMWELN-OAHLLOKOSA-N 1 0 394.313 2.436 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)NCCc1cc(Br)ccc1F ZINC000626951343 532446875 /nfs/dbraw/zinc/44/68/75/532446875.db2.gz UOQWMJBTNZFAFZ-UHFFFAOYSA-N 1 0 376.270 2.008 20 0 GEADRO CC[C@@H](C)NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000194310131 532446985 /nfs/dbraw/zinc/44/69/85/532446985.db2.gz ZQYQBVMAXFRFAO-GFCCVEGCSA-N 1 0 397.317 2.409 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc(Br)c1OC ZINC000626959262 532447242 /nfs/dbraw/zinc/44/72/42/532447242.db2.gz ANNYVEGONKVRRV-PWSUYJOCSA-N 1 0 386.290 2.406 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626965069 532447360 /nfs/dbraw/zinc/44/73/60/532447360.db2.gz PUUFYVANIARYSL-SMDDNHRTSA-N 1 0 383.290 2.136 20 0 GEADRO CCN(CCSC)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000592322619 532448359 /nfs/dbraw/zinc/44/83/59/532448359.db2.gz LUQDJMJCAZMZAP-UHFFFAOYSA-N 1 0 381.567 2.385 20 0 GEADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000561713761 532448431 /nfs/dbraw/zinc/44/84/31/532448431.db2.gz BNAMMMAZCFBWKX-UHFFFAOYSA-N 1 0 387.571 2.139 20 0 GEADRO O=C(Cc1c(Cl)cccc1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270648 532448507 /nfs/dbraw/zinc/44/85/07/532448507.db2.gz KOBVROBGAJPQLK-VXGBXAGGSA-N 1 0 387.705 2.313 20 0 GEADRO Cn1cc(-c2ccc(C[NH2+]C[C@H](O)CS(=O)(=O)c3cccs3)s2)cn1 ZINC000282213159 532448516 /nfs/dbraw/zinc/44/85/16/532448516.db2.gz JKFBMGFHBXWFGV-ZDUSSCGKSA-N 1 0 397.547 2.135 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000626910659 532445954 /nfs/dbraw/zinc/44/59/54/532445954.db2.gz AXDIMRJLNFBFSA-IINYFYTJSA-N 1 0 378.885 2.192 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)NCC2([NH3+])CCOCC2)cc1Br ZINC000626924976 532446145 /nfs/dbraw/zinc/44/61/45/532446145.db2.gz FAUJYXGVHAHOOK-LLVKDONJSA-N 1 0 386.290 2.326 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592374853 532451980 /nfs/dbraw/zinc/45/19/80/532451980.db2.gz LQWKWRVWVDPOQT-TZMCWYRMSA-N 1 0 386.901 2.279 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592374852 532452150 /nfs/dbraw/zinc/45/21/50/532452150.db2.gz LQWKWRVWVDPOQT-OCCSQVGLSA-N 1 0 386.901 2.279 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1I ZINC000592367639 532452218 /nfs/dbraw/zinc/45/22/18/532452218.db2.gz WCVQXMFVEGELNO-NSHDSACASA-N 1 0 394.278 2.020 20 0 GEADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270746 532449245 /nfs/dbraw/zinc/44/92/45/532449245.db2.gz MBQGKIWKJVUNFQ-LSDHHAIUSA-N 1 0 397.313 2.274 20 0 GEADRO CC[C@@H]1CN(C(=O)COc2ccc(I)cc2)CC[C@H]1[NH3+] ZINC000592330427 532450761 /nfs/dbraw/zinc/45/07/61/532450761.db2.gz AOBKKKLHZLHKOG-BXUZGUMPSA-N 1 0 388.249 2.256 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)CCOc1ccccc1I ZINC000561766588 532450746 /nfs/dbraw/zinc/45/07/46/532450746.db2.gz OSXISBUOSHSOFF-NSHDSACASA-N 1 0 376.238 2.126 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCCS1(=O)=O ZINC000682908939 532450781 /nfs/dbraw/zinc/45/07/81/532450781.db2.gz MURGCKSKDANOAE-CYBMUJFWSA-N 1 0 375.332 2.395 20 0 GEADRO COc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000373459773 532450934 /nfs/dbraw/zinc/45/09/34/532450934.db2.gz GXXSHQOBZHUSEB-SJCJKPOMSA-N 1 0 396.285 2.268 20 0 GEADRO Cc1ccc(CCCC(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000467644975 532451666 /nfs/dbraw/zinc/45/16/66/532451666.db2.gz WXCYJVJRXDOONX-MRXNPFEDSA-N 1 0 386.583 2.347 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)CC[N@@H+]1C ZINC000428631925 532456674 /nfs/dbraw/zinc/45/66/74/532456674.db2.gz YZVPPBLHFHVELG-FMKPAKJESA-N 1 0 398.345 2.382 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000519144303 532457650 /nfs/dbraw/zinc/45/76/50/532457650.db2.gz BEBOLSIVTRCEHW-ZDUSSCGKSA-N 1 0 387.311 2.380 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295548288 532457652 /nfs/dbraw/zinc/45/76/52/532457652.db2.gz WVFGUKUSEBCFCM-CVEARBPZSA-N 1 0 382.302 2.183 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000627825692 532457106 /nfs/dbraw/zinc/45/71/06/532457106.db2.gz DDZIYFBZFUUVPC-CYBMUJFWSA-N 1 0 394.313 2.186 20 0 GEADRO CN(C(=O)c1ncc(Br)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683408161 532457691 /nfs/dbraw/zinc/45/76/91/532457691.db2.gz LGFGULWILWHYTM-LBPRGKRZSA-N 1 0 387.347 2.146 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000519018289 532452824 /nfs/dbraw/zinc/45/28/24/532452824.db2.gz FUNQNVUTHPQXGM-CYBMUJFWSA-N 1 0 399.333 2.208 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(Cl)c(N)c3Cl)CC2)C1=O ZINC000518982987 532453435 /nfs/dbraw/zinc/45/34/35/532453435.db2.gz AYJHCPRTHKWFJF-CYBMUJFWSA-N 1 0 385.295 2.001 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295500610 532453789 /nfs/dbraw/zinc/45/37/89/532453789.db2.gz PDVMZWYXANUXNE-NSHDSACASA-N 1 0 391.331 2.404 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000194769879 532456405 /nfs/dbraw/zinc/45/64/05/532456405.db2.gz SUKVHKSFBPRLLP-CYBMUJFWSA-N 1 0 377.304 2.254 20 0 GEADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCN2CCO[C@H]1C2 ZINC000295583352 532459961 /nfs/dbraw/zinc/45/99/61/532459961.db2.gz ZSGYTPABAGHDDU-QRTARXTBSA-N 1 0 375.296 2.138 20 0 GEADRO C[C@@H]1[C@H](C(=O)NCCc2ccc(I)s2)CC[N@@H+]1C ZINC000592757062 532460332 /nfs/dbraw/zinc/46/03/32/532460332.db2.gz GDCFLZCHRYFQTK-MWLCHTKSSA-N 1 0 378.279 2.352 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)NC[C@H](CO)Cc1ccccc1Br ZINC000428760488 532461187 /nfs/dbraw/zinc/46/11/87/532461187.db2.gz SHNGPUBWGSWRSY-OAHLLOKOSA-N 1 0 398.345 2.385 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000295602071 532461546 /nfs/dbraw/zinc/46/15/46/532461546.db2.gz FTUFRSMPGCYXOJ-ZDUSSCGKSA-N 1 0 380.279 2.226 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)sc1Cl ZINC000373707814 532464131 /nfs/dbraw/zinc/46/41/31/532464131.db2.gz MDLOEBOXQISDDV-ZDUSSCGKSA-N 1 0 377.963 2.110 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[NH+]1CCCC1 ZINC000683643963 532464134 /nfs/dbraw/zinc/46/41/34/532464134.db2.gz KOZZXYWYRNQFBX-GFCCVEGCSA-N 1 0 394.313 2.477 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2nscc2Br)CC1 ZINC000651332940 532467239 /nfs/dbraw/zinc/46/72/39/532467239.db2.gz QDMVRQFTIAOWHG-UHFFFAOYSA-N 1 0 375.336 2.053 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCc1ccc(Br)cc1F ZINC000592788846 532464472 /nfs/dbraw/zinc/46/44/72/532464472.db2.gz LMZFTCOXLPCTCR-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000592789300 532464676 /nfs/dbraw/zinc/46/46/76/532464676.db2.gz JYKVQDJLONOXKG-CYBMUJFWSA-N 1 0 378.567 2.475 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000562411131 532464939 /nfs/dbraw/zinc/46/49/39/532464939.db2.gz JLFZFZXXRIOELR-UHFFFAOYSA-N 1 0 397.361 2.273 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000428944135 532465716 /nfs/dbraw/zinc/46/57/16/532465716.db2.gz RRBIWGHJAROXKX-HNNXBMFYSA-N 1 0 387.933 2.225 20 0 GEADRO C[C@@H]1[C@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CCC[N@@H+]1C ZINC000428965751 532466090 /nfs/dbraw/zinc/46/60/90/532466090.db2.gz IATLPQZYKQNLSV-UKPHBRMFSA-N 1 0 398.345 2.382 20 0 GEADRO Cn1ncc2c1CCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C2 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C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NCCOCC[NH+](C)C ZINC000471648186 532555132 /nfs/dbraw/zinc/55/51/32/532555132.db2.gz SVAAQORMCRWFLD-ZDUSSCGKSA-N 1 0 384.318 2.484 20 0 GEADRO COC(=O)CCN1CC[C@@H]([N@H+](C)CCc2ccc(Br)cc2)C1=O ZINC000595309638 532555086 /nfs/dbraw/zinc/55/50/86/532555086.db2.gz AHHCDTBATGIVIG-OAHLLOKOSA-N 1 0 383.286 2.087 20 0 GEADRO CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000471663192 532555191 /nfs/dbraw/zinc/55/51/91/532555191.db2.gz PFICCGSFYPKCRT-HOCLYGCPSA-N 1 0 384.929 2.368 20 0 GEADRO C[C@H](CNC(=O)NCCOCC[NH+](C)C)Oc1ccc(Br)cc1 ZINC000471652955 532555649 /nfs/dbraw/zinc/55/56/49/532555649.db2.gz IBUQYPROKZDYRF-CYBMUJFWSA-N 1 0 388.306 2.094 20 0 GEADRO CSc1cc2c(cc1C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1)OCCO2 ZINC000375410371 532555685 /nfs/dbraw/zinc/55/56/85/532555685.db2.gz HXSARQQEYBPREY-GHMZBOCLSA-N 1 0 376.400 2.275 20 0 GEADRO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+](CCO)[C@@H]1CCCSC1 ZINC000433193189 532556459 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MQEBRUJNDOASDB-GJZGRUSLSA-N 1 0 384.322 2.352 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000631855332 532565254 /nfs/dbraw/zinc/56/52/54/532565254.db2.gz DOYWWBJCLNDPKW-HNNXBMFYSA-N 1 0 391.331 2.104 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000249471342 532566197 /nfs/dbraw/zinc/56/61/97/532566197.db2.gz HFEXMFOAFYJNCV-HZMBPMFUSA-N 1 0 377.304 2.206 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000472184111 532567264 /nfs/dbraw/zinc/56/72/64/532567264.db2.gz XLPPLAFRXAXHLP-ZDUSSCGKSA-N 1 0 386.290 2.123 20 0 GEADRO CC[C@@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)Oc1ccccc1Cl ZINC000631925039 532567383 /nfs/dbraw/zinc/56/73/83/532567383.db2.gz LGRRMRBBIGEPGW-AWEZNQCLSA-N 1 0 375.922 2.016 20 0 GEADRO C[C@@H](NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000433394949 532567565 /nfs/dbraw/zinc/56/75/65/532567565.db2.gz OGPJPSPYFGBEJN-BXUZGUMPSA-N 1 0 378.274 2.456 20 0 GEADRO 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C[C@@H]1CN(C2CCOCC2)CCN1S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632285478 532597108 /nfs/dbraw/zinc/59/71/08/532597108.db2.gz SFLBKPREHTWZJH-LLVKDONJSA-N 1 0 389.905 2.079 20 0 GEADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529372490 532598136 /nfs/dbraw/zinc/59/81/36/532598136.db2.gz ASLSZSPZKFNGJD-ZFWWWQNUSA-N 1 0 398.301 2.293 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000529373485 532598644 /nfs/dbraw/zinc/59/86/44/532598644.db2.gz DUCXKNJUYMQVCL-BMIGLBTASA-N 1 0 392.258 2.204 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2Br)C1 ZINC000262748255 532598981 /nfs/dbraw/zinc/59/89/81/532598981.db2.gz FMONGYLBIJZNHG-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cccc(I)c1 ZINC000262763575 532599537 /nfs/dbraw/zinc/59/95/37/532599537.db2.gz SQANHCQKGAKZDS-ZDUSSCGKSA-N 1 0 396.294 2.285 20 0 GEADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCOc2ncc(Cl)cc2Cl)C1(C)C ZINC000262763441 532600006 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GEADRO COc1cc(Br)c(C[NH2+][C@H]2CCc3c(nnn3C)C2)c(OC)c1 ZINC000655842237 532601309 /nfs/dbraw/zinc/60/13/09/532601309.db2.gz OOJPBQPISSOZOG-JTQLQIEISA-N 1 0 381.274 2.242 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc(I)c1 ZINC000262782318 532601451 /nfs/dbraw/zinc/60/14/51/532601451.db2.gz ZQPJPKLFRMVXRN-NSHDSACASA-N 1 0 382.267 2.087 20 0 GEADRO Cc1cc(I)ccc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000262806866 532601760 /nfs/dbraw/zinc/60/17/60/532601760.db2.gz SJRXAZNSISIZHM-UHFFFAOYSA-N 1 0 382.205 2.221 20 0 GEADRO Cn1ccnc1[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655914309 532602720 /nfs/dbraw/zinc/60/27/20/532602720.db2.gz XMWKKZFVLXJVAI-RYUDHWBXSA-N 1 0 375.782 2.352 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2=O)ccc1Br ZINC000262836573 532603245 /nfs/dbraw/zinc/60/32/45/532603245.db2.gz ILSWFTNCJXZXAW-BFHYXJOUSA-N 1 0 394.313 2.367 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000262828240 532603766 /nfs/dbraw/zinc/60/37/66/532603766.db2.gz YYVVEGKTTZPIGK-MNOVXSKESA-N 1 0 377.304 2.267 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)C(F)(F)F ZINC000655915007 532604251 /nfs/dbraw/zinc/60/42/51/532604251.db2.gz QEDGJLKTRMEULF-NEPJUHHUSA-N 1 0 396.207 2.422 20 0 GEADRO C[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)Oc1cccc(Br)c1 ZINC000655921474 532604419 /nfs/dbraw/zinc/60/44/19/532604419.db2.gz XRMPAWPREIKOBI-KCJUWKMLSA-N 1 0 384.196 2.405 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000566424451 532608216 /nfs/dbraw/zinc/60/82/16/532608216.db2.gz MMQRUJRSOUUENW-CABCVRRESA-N 1 0 385.302 2.035 20 0 GEADRO O=C(COc1ccc(I)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435236332 532610068 /nfs/dbraw/zinc/61/00/68/532610068.db2.gz RNKFLGWVUQUSAE-ZDUSSCGKSA-N 1 0 386.233 2.023 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000297881596 532610159 /nfs/dbraw/zinc/61/01/59/532610159.db2.gz GTTAMZYLJCQUFV-NHYWBVRUSA-N 1 0 388.306 2.083 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)ccc1Br ZINC000435221751 532610526 /nfs/dbraw/zinc/61/05/26/532610526.db2.gz CXNZYQMMRQTZRS-STQMWFEESA-N 1 0 377.279 2.493 20 0 GEADRO CC(=O)N[C@H](CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000435231059 532610590 /nfs/dbraw/zinc/61/05/90/532610590.db2.gz FWVFRGVDIZBLGI-DLBZAZTESA-N 1 0 394.313 2.369 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc(F)ccc2Br)CCSC1 ZINC000435227392 532610701 /nfs/dbraw/zinc/61/07/01/532610701.db2.gz QKZXGNNICUBHBB-CYBMUJFWSA-N 1 0 397.335 2.304 20 0 GEADRO CC[N@H+](C)C[C@@H](O)CSc1nnc(-c2ccncc2)n1CC(F)(F)F ZINC000566482635 532610791 /nfs/dbraw/zinc/61/07/91/532610791.db2.gz VRSILDZKVPCRJN-GFCCVEGCSA-N 1 0 375.420 2.307 20 0 GEADRO O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccc(I)cc1 ZINC000435235780 532610861 /nfs/dbraw/zinc/61/08/61/532610861.db2.gz OTEYVHDWSLJWRM-CQSZACIVSA-N 1 0 385.249 2.056 20 0 GEADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000656275316 532611090 /nfs/dbraw/zinc/61/10/90/532611090.db2.gz JGNXVVLVDFPMMF-LLVKDONJSA-N 1 0 380.290 2.419 20 0 GEADRO CC[N@H+]1C[C@@H](C)N(C(=O)CNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000566466537 532611201 /nfs/dbraw/zinc/61/12/01/532611201.db2.gz OQCZZQYHTNFJJW-BETUJISGSA-N 1 0 382.302 2.120 20 0 GEADRO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435246079 532611793 /nfs/dbraw/zinc/61/17/93/532611793.db2.gz PKMMLRWEVVULTM-CVEARBPZSA-N 1 0 392.297 2.155 20 0 GEADRO O=C(c1n[nH]c2ccc(I)cc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435242954 532611858 /nfs/dbraw/zinc/61/18/58/532611858.db2.gz PLSLHFZOLGGNHD-LLVKDONJSA-N 1 0 396.232 2.134 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656305617 532612300 /nfs/dbraw/zinc/61/23/00/532612300.db2.gz CUSQEECFMKRKQD-SLEUVZQESA-N 1 0 386.323 2.497 20 0 GEADRO O=C(Cn1cc(Br)cn1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474310542 532612340 /nfs/dbraw/zinc/61/23/40/532612340.db2.gz KQRLZBSHFHGFAM-IUODEOHRSA-N 1 0 399.239 2.186 20 0 GEADRO C[C@@H]1COCCN1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000566492580 532612477 /nfs/dbraw/zinc/61/24/77/532612477.db2.gz DOSDAMRKXFJPFW-CYBMUJFWSA-N 1 0 390.908 2.494 20 0 GEADRO Cn1nccc1[C@@H](CO)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000597150502 532612450 /nfs/dbraw/zinc/61/24/50/532612450.db2.gz CYXXUQJZTDRNFD-ZIAGYGMSSA-N 1 0 383.233 2.335 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000297925858 532612991 /nfs/dbraw/zinc/61/29/91/532612991.db2.gz SBRIXIYIYDTGKA-UHFFFAOYSA-N 1 0 396.329 2.208 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474335453 532613077 /nfs/dbraw/zinc/61/30/77/532613077.db2.gz ZIOUUOSKLVWDLK-DOMZBBRYSA-N 1 0 390.311 2.437 20 0 GEADRO NC(=O)C1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000474352791 532613369 /nfs/dbraw/zinc/61/33/69/532613369.db2.gz IAUZLYOVGMTSFV-UHFFFAOYSA-N 1 0 396.329 2.419 20 0 GEADRO C[NH+](C)C1(CNC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)CCOCC1 ZINC000474354696 532613418 /nfs/dbraw/zinc/61/34/18/532613418.db2.gz NKXVYKXZCNBIEG-CQSZACIVSA-N 1 0 390.311 2.437 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000284721893 532613510 /nfs/dbraw/zinc/61/35/10/532613510.db2.gz GPELBCOMLUVMDK-GFCCVEGCSA-N 1 0 397.317 2.010 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000284814927 532623537 /nfs/dbraw/zinc/62/35/37/532623537.db2.gz QQCHEZIQQJDOTJ-CYBMUJFWSA-N 1 0 395.301 2.260 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ncsc2Br)C1 ZINC000632544859 532624747 /nfs/dbraw/zinc/62/47/47/532624747.db2.gz ORGUHOTUAGMUGI-JTQLQIEISA-N 1 0 396.376 2.445 20 0 GEADRO COCC[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc(Cl)c(Cl)c1 ZINC000284829613 532624858 /nfs/dbraw/zinc/62/48/58/532624858.db2.gz QHGOHEIBBXGRMF-OAHLLOKOSA-N 1 0 386.279 2.258 20 0 GEADRO CCOCC[C@@H](O)C[NH2+]Cc1c(Br)cncc1Br ZINC000566851341 532627868 /nfs/dbraw/zinc/62/78/68/532627868.db2.gz SZDHPWNELPDRAV-SECBINFHSA-N 1 0 382.096 2.484 20 0 GEADRO O=C1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H](C2CC2)N1 ZINC000376771935 532628584 /nfs/dbraw/zinc/62/85/84/532628584.db2.gz JEXHAQBRKWAIAB-CJNGLKHVSA-N 1 0 381.270 2.367 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cc(Cl)ccc1Br ZINC000566911899 532629529 /nfs/dbraw/zinc/62/95/29/532629529.db2.gz RJRJTKRKLSOXMS-AWEZNQCLSA-N 1 0 378.698 2.214 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000376811325 532630293 /nfs/dbraw/zinc/63/02/93/532630293.db2.gz IOYJDDXIIYZOEU-AWEZNQCLSA-N 1 0 384.929 2.359 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000632611367 532630419 /nfs/dbraw/zinc/63/04/19/532630419.db2.gz FRQDZGRSCFCYON-INIZCTEOSA-N 1 0 378.897 2.308 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000376834966 532631401 /nfs/dbraw/zinc/63/14/01/532631401.db2.gz REFQODAAOCAWEZ-CJNGLKHVSA-N 1 0 396.333 2.304 20 0 GEADRO COc1cc(CN(C)CC[NH+](C)C)cc(I)c1OC ZINC000566941399 532631476 /nfs/dbraw/zinc/63/14/76/532631476.db2.gz HUJCXQDPESAYHA-UHFFFAOYSA-N 1 0 378.254 2.302 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(Br)s1 ZINC000263649369 532631712 /nfs/dbraw/zinc/63/17/12/532631712.db2.gz DGFPOQAWJDHQGW-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000566969330 532632460 /nfs/dbraw/zinc/63/24/60/532632460.db2.gz GKNAUUIXYSXDKB-CABCVRRESA-N 1 0 375.282 2.354 20 0 GEADRO CCOc1cc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc(Br)c1O ZINC000298188548 532632455 /nfs/dbraw/zinc/63/24/55/532632455.db2.gz WNSQWABGGGCPMM-UHFFFAOYSA-N 1 0 378.288 2.220 20 0 GEADRO C[C@@H]1CN(Cc2c(F)ccc(I)c2F)CC[N@@H+]1CCO ZINC000474931719 532633060 /nfs/dbraw/zinc/63/30/60/532633060.db2.gz IGBZNPHSJNZGLX-SNVBAGLBSA-N 1 0 396.219 2.068 20 0 GEADRO CCOC(=O)[C@](C)(O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000475032511 532634789 /nfs/dbraw/zinc/63/47/89/532634789.db2.gz MOZFKRNMXULDIA-MRXNPFEDSA-N 1 0 386.286 2.359 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)c1ccsc1 ZINC000263687883 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C[NH+](C)[C@@H]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439432144 532692345 /nfs/dbraw/zinc/69/23/45/532692345.db2.gz SOEHCGXHMVWNSZ-HUUCEWRRSA-N 1 0 375.282 2.354 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)cn2C)CCN1C1CC[NH+](C)CC1 ZINC000378368534 532692579 /nfs/dbraw/zinc/69/25/79/532692579.db2.gz VNNAIXIPOHKWNU-CYBMUJFWSA-N 1 0 383.334 2.028 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cscc2Br)C1 ZINC000640191677 532692679 /nfs/dbraw/zinc/69/26/79/532692679.db2.gz LZXFNESLFUBESM-SNVBAGLBSA-N 1 0 389.319 2.220 20 0 GEADRO O=c1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc2ccc(Br)cn12 ZINC000569206113 532692816 /nfs/dbraw/zinc/69/28/16/532692816.db2.gz CRYOZBQTSILKCG-CJNGLKHVSA-N 1 0 391.313 2.421 20 0 GEADRO COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439451580 532693754 /nfs/dbraw/zinc/69/37/54/532693754.db2.gz MTFOHJPPMHWIMQ-ZIAGYGMSSA-N 1 0 390.249 2.355 20 0 GEADRO C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000299100095 532694450 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CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1)CC(C)C ZINC000569524076 532697735 /nfs/dbraw/zinc/69/77/35/532697735.db2.gz IADADDTVPBGMJC-SJORKVTESA-N 1 0 375.579 2.209 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000439590528 532698107 /nfs/dbraw/zinc/69/81/07/532698107.db2.gz YFEQIZVLCGXMNR-AWEZNQCLSA-N 1 0 396.285 2.091 20 0 GEADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)Cn3cc(Br)ccc3=O)[C@@H]2C1 ZINC000666138293 532698236 /nfs/dbraw/zinc/69/82/36/532698236.db2.gz BCTZEEZDKBPUOF-UOJCXKCYSA-N 1 0 396.329 2.236 20 0 GEADRO [NH3+]CCOCc1cn(CCOc2ccc(Cl)cc2Br)nn1 ZINC000640859647 532698756 /nfs/dbraw/zinc/69/87/56/532698756.db2.gz OKMKKPHZVRELOU-UHFFFAOYSA-N 1 0 375.654 2.248 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)N(C)Cc1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000299154981 532699455 /nfs/dbraw/zinc/69/94/55/532699455.db2.gz XCUITLNLCWJFCH-MRXNPFEDSA-N 1 0 381.523 2.095 20 0 GEADRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000666287391 532699693 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CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000285535556 532689463 /nfs/dbraw/zinc/68/94/63/532689463.db2.gz HSEZSLVJYRHYNL-ZDUSSCGKSA-N 1 0 391.896 2.164 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000439361952 532690455 /nfs/dbraw/zinc/69/04/55/532690455.db2.gz SKKRSWGCYKOJRD-LBPRGKRZSA-N 1 0 398.301 2.257 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc(Br)cc1F ZINC000664368055 532690600 /nfs/dbraw/zinc/69/06/00/532690600.db2.gz DXRWVOZQFNETJC-UHFFFAOYSA-N 1 0 389.269 2.072 20 0 GEADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@H](O)c1ccc(Br)cc1 ZINC000265273481 532690710 /nfs/dbraw/zinc/69/07/10/532690710.db2.gz UWJJEVQOJMGENK-IRXDYDNUSA-N 1 0 390.318 2.217 20 0 GEADRO O[C@@H](CN1CCOCC1)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439321312 532690770 /nfs/dbraw/zinc/69/07/70/532690770.db2.gz OTKBJJHOAFVCEQ-GOSISDBHSA-N 1 0 383.330 2.322 20 0 GEADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000265279137 532691047 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CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1sccc1Br ZINC000285782519 532706610 /nfs/dbraw/zinc/70/66/10/532706610.db2.gz FUECNUGWWXWPIS-UHFFFAOYSA-N 1 0 388.331 2.071 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000572625981 532706997 /nfs/dbraw/zinc/70/69/97/532706997.db2.gz ADEMAGBUVOHPJQ-UOXLDJKESA-N 1 0 387.933 2.002 20 0 GEADRO C[NH+](C)CCCCNC(=O)COc1ccc(I)cc1 ZINC000299298431 532707132 /nfs/dbraw/zinc/70/71/32/532707132.db2.gz AUFYHNLXPIABGM-UHFFFAOYSA-N 1 0 376.238 2.128 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(CCC(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000299283087 532707621 /nfs/dbraw/zinc/70/76/21/532707621.db2.gz LSWDOLYTXIXYQP-KGLIPLIRSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCC2 ZINC000537421666 532707918 /nfs/dbraw/zinc/70/79/18/532707918.db2.gz HTKSMNGFEFPUCU-RDBSUJKOSA-N 1 0 384.567 2.217 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)[C@H](C)C1 ZINC000266214935 532708004 /nfs/dbraw/zinc/70/80/04/532708004.db2.gz RCTVLURAUMMKTB-IUODEOHRSA-N 1 0 388.917 2.477 20 0 GEADRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCOc1ccc(I)cc1 ZINC000572645006 532708650 /nfs/dbraw/zinc/70/86/50/532708650.db2.gz UAHNXMGJBDGRJT-MFKMUULPSA-N 1 0 376.238 2.160 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CCN(C)C[C@@H]1C ZINC000440273865 532708967 /nfs/dbraw/zinc/70/89/67/532708967.db2.gz WUJUSHMHWGZJCR-LBPRGKRZSA-N 1 0 398.301 2.337 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000537437349 532709047 /nfs/dbraw/zinc/70/90/47/532709047.db2.gz OIUIBMVECIDQQN-UHFFFAOYSA-N 1 0 389.587 2.248 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNCc1c(Br)cncc1Br ZINC000394565115 532709625 /nfs/dbraw/zinc/70/96/25/532709625.db2.gz KZXJWLPEIQBGCF-GFCCVEGCSA-N 1 0 381.112 2.009 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000490469202 532710562 /nfs/dbraw/zinc/71/05/62/532710562.db2.gz HSBWFFIIERSDPU-CQSZACIVSA-N 1 0 380.432 2.479 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000668378906 532710986 /nfs/dbraw/zinc/71/09/86/532710986.db2.gz XVKMABAPQUZJFE-JKSUJKDBSA-N 1 0 385.277 2.188 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440382533 532711491 /nfs/dbraw/zinc/71/14/91/532711491.db2.gz NQQMPAKLSGYWRL-AWEZNQCLSA-N 1 0 381.929 2.407 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000573783516 532712050 /nfs/dbraw/zinc/71/20/50/532712050.db2.gz BZNVUJHZRIUQQY-VIFPVBQESA-N 1 0 382.287 2.793 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)[C@@]12CCCO2 ZINC000574386068 532713224 /nfs/dbraw/zinc/71/32/24/532713224.db2.gz DXNXICIJURLAMC-FAYQHZLMSA-N 1 0 385.302 2.316 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2=O)C1 ZINC000574378685 532713289 /nfs/dbraw/zinc/71/32/89/532713289.db2.gz KHAYJKSYZNOVKL-QWHCGFSZSA-N 1 0 395.301 2.021 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000440409339 532713402 /nfs/dbraw/zinc/71/34/02/532713402.db2.gz NPKYLZODCMZURK-UHFFFAOYSA-N 1 0 382.917 2.454 20 0 GEADRO O=C(NCCC(F)(F)F)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000440451821 532714521 /nfs/dbraw/zinc/71/45/21/532714521.db2.gz MIUZAQIYUADEMM-UHFFFAOYSA-N 1 0 375.416 2.243 20 0 GEADRO CCOC(=O)c1sc2ncc(S(=O)(=O)NCC[N@H+](C)CC)cc2c1C ZINC000608857871 532715236 /nfs/dbraw/zinc/71/52/36/532715236.db2.gz CQNKCMJOKHFEMK-UHFFFAOYSA-N 1 0 385.511 2.011 20 0 GEADRO COc1ccc(Br)c(CN2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000538721832 532716253 /nfs/dbraw/zinc/71/62/53/532716253.db2.gz HSIUKGAMOXJCDR-UHFFFAOYSA-N 1 0 384.318 2.054 20 0 GEADRO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440499776 532716341 /nfs/dbraw/zinc/71/63/41/532716341.db2.gz AOJUYTHFTVQMPD-CYBMUJFWSA-N 1 0 397.313 2.480 20 0 GEADRO COC(=O)CNC(=O)C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440532238 532716718 /nfs/dbraw/zinc/71/67/18/532716718.db2.gz FGUWGZBWDYGUAL-UHFFFAOYSA-N 1 0 383.286 2.092 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000285932675 532720106 /nfs/dbraw/zinc/72/01/06/532720106.db2.gz UIEJEMZQWOCSAU-BBRMVZONSA-N 1 0 394.313 2.264 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)C1 ZINC000646017184 532720178 /nfs/dbraw/zinc/72/01/78/532720178.db2.gz GWSLCBYMRLNLTP-SWLSCSKDSA-N 1 0 381.416 2.423 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)C1 ZINC000646017185 532720247 /nfs/dbraw/zinc/72/02/47/532720247.db2.gz GWSLCBYMRLNLTP-WFASDCNBSA-N 1 0 381.416 2.423 20 0 GEADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000440737380 532721818 /nfs/dbraw/zinc/72/18/18/532721818.db2.gz LONQJRGZIUMKIP-VIFPVBQESA-N 1 0 387.221 2.450 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000440726971 532722336 /nfs/dbraw/zinc/72/23/36/532722336.db2.gz AHGIOQNBWAAXDB-ZDUSSCGKSA-N 1 0 376.906 2.033 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC1CC([NH+](C)C)C1 ZINC000646106861 532722422 /nfs/dbraw/zinc/72/24/22/532722422.db2.gz DCQZGQKALLFJEF-ZUEPYMLJSA-N 1 0 396.329 2.412 20 0 GEADRO O=C(CCSc1ccccc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000285974250 532722765 /nfs/dbraw/zinc/72/27/65/532722765.db2.gz HLRNUMNLBWPRSB-AWEZNQCLSA-N 1 0 398.370 2.437 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104364 532723086 /nfs/dbraw/zinc/72/30/86/532723086.db2.gz BATATHBZEYONNO-UHFFFAOYSA-N 1 0 396.329 2.493 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000440859131 532723351 /nfs/dbraw/zinc/72/33/51/532723351.db2.gz YRECJWOMCYBUMH-ZJUUUORDSA-N 1 0 386.823 2.486 20 0 GEADRO Cc1c(Br)cncc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000612995360 532723892 /nfs/dbraw/zinc/72/38/92/532723892.db2.gz QBMSTMFJBFHACM-UHFFFAOYSA-N 1 0 379.258 2.128 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000646474876 532724031 /nfs/dbraw/zinc/72/40/31/532724031.db2.gz CVIHWIRKCLOQQL-DAXOMENPSA-N 1 0 394.313 2.353 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000286010629 532724095 /nfs/dbraw/zinc/72/40/95/532724095.db2.gz PJFVAJSNXDFGJS-SNVBAGLBSA-N 1 0 378.673 2.217 20 0 GEADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612979859 532724086 /nfs/dbraw/zinc/72/40/86/532724086.db2.gz JUHDLELITFURFG-LSDHHAIUSA-N 1 0 382.302 2.314 20 0 GEADRO CS(=O)(=O)Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)c1 ZINC000576149158 532724734 /nfs/dbraw/zinc/72/47/34/532724734.db2.gz MBKKPMBOSPAAFK-INIZCTEOSA-N 1 0 383.897 2.414 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000646472856 532724820 /nfs/dbraw/zinc/72/48/20/532724820.db2.gz KUCUPVHPMWPFGK-GHMZBOCLSA-N 1 0 388.331 2.134 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000646483654 532724965 /nfs/dbraw/zinc/72/49/65/532724965.db2.gz HLIUUOAXOMWITF-WFASDCNBSA-N 1 0 382.302 2.120 20 0 GEADRO COC[C@]1(CNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)CCC[NH2+]1 ZINC000576148079 532725047 /nfs/dbraw/zinc/72/50/47/532725047.db2.gz ALIVGJVNTNTYJY-BDJLRTHQSA-N 1 0 389.265 2.240 20 0 GEADRO O=C1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)[C@@H](C2CC2)N1 ZINC000576152328 532725311 /nfs/dbraw/zinc/72/53/11/532725311.db2.gz AYXATBAQYWUIRV-RHSMWYFYSA-N 1 0 390.285 2.177 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1OC(F)(F)F ZINC000672376981 532725593 /nfs/dbraw/zinc/72/55/93/532725593.db2.gz LAURUQKAJNWMMX-SNVBAGLBSA-N 1 0 382.379 2.487 20 0 GEADRO CCCC[N@H+](C)CC1CCN(C(=O)c2sc(S(N)(=O)=O)cc2C)CC1 ZINC000498518853 532726140 /nfs/dbraw/zinc/72/61/40/532726140.db2.gz XUFAMTUYMHFBIW-UHFFFAOYSA-N 1 0 387.571 2.288 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000539215398 532726564 /nfs/dbraw/zinc/72/65/64/532726564.db2.gz HNDWOAZYDSQQPV-LBPRGKRZSA-N 1 0 381.885 2.068 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F)C1CC1 ZINC000441980234 532727512 /nfs/dbraw/zinc/72/75/12/532727512.db2.gz RWLDIZNYLDMMHE-LBPRGKRZSA-N 1 0 390.228 2.122 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000441993545 532728146 /nfs/dbraw/zinc/72/81/46/532728146.db2.gz GDVAYRKZINDJHS-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000613138213 532728202 /nfs/dbraw/zinc/72/82/02/532728202.db2.gz DOULOIOZPWHXPM-GUYCJALGSA-N 1 0 395.345 2.251 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccsc1Br ZINC000672692535 532728351 /nfs/dbraw/zinc/72/83/51/532728351.db2.gz DNHNQDIFAJDSHK-GFCCVEGCSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613193022 532728743 /nfs/dbraw/zinc/72/87/43/532728743.db2.gz ZQHDTOYCQAWSHQ-RKLWJJNISA-N 1 0 382.302 2.473 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000539415581 532729849 /nfs/dbraw/zinc/72/98/49/532729849.db2.gz CKKLEJNJHTZGEN-UHFFFAOYSA-N 1 0 396.340 2.072 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1cnn(-c2ccccc2Br)c1 ZINC000577054613 532730800 /nfs/dbraw/zinc/73/08/00/532730800.db2.gz CTMQLKHKWAKXRW-CYBMUJFWSA-N 1 0 379.258 2.342 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000673840426 532732459 /nfs/dbraw/zinc/73/24/59/532732459.db2.gz WWYCCSSSXDMYSM-HNNXBMFYSA-N 1 0 387.571 2.092 20 0 GEADRO C[N@@H+]1CCCC12CCN(c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)CC2 ZINC000408441662 532718693 /nfs/dbraw/zinc/71/86/93/532718693.db2.gz FWTVWUUVECPGJT-UHFFFAOYSA-N 1 0 377.432 2.417 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)NCC3=CC[N@H+](C)CC3)cc21 ZINC000645641198 532719122 /nfs/dbraw/zinc/71/91/22/532719122.db2.gz YRYKGNYYVPYCQU-UHFFFAOYSA-N 1 0 398.326 2.481 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@H]1[NH+](C)C ZINC000503225338 532744815 /nfs/dbraw/zinc/74/48/15/532744815.db2.gz YSOIUCZSTBKKJH-CHWSQXEVSA-N 1 0 397.335 2.254 20 0 GEADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)ccc1Cl ZINC000579924983 532745053 /nfs/dbraw/zinc/74/50/53/532745053.db2.gz KXWWLKIRBUEAEU-ZLDLUXBVSA-N 1 0 385.917 2.307 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000286414594 532745134 /nfs/dbraw/zinc/74/51/34/532745134.db2.gz WETUOFQNJLYSMR-UHFFFAOYSA-N 1 0 389.290 2.242 20 0 GEADRO C[NH+](C)CC1CN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000615509710 532747187 /nfs/dbraw/zinc/74/71/87/532747187.db2.gz QLSSQTAHHRVPPT-QGZVFWFLSA-N 1 0 386.323 2.387 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580445020 532747438 /nfs/dbraw/zinc/74/74/38/532747438.db2.gz FPORJOHZVWSTIX-OAHLLOKOSA-N 1 0 377.897 2.445 20 0 GEADRO [NH3+]CCC1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000580443685 532747501 /nfs/dbraw/zinc/74/75/01/532747501.db2.gz IVDAXQZGZRHRQS-INIZCTEOSA-N 1 0 381.929 2.443 20 0 GEADRO C[NH+](C)CC1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000615509988 532747561 /nfs/dbraw/zinc/74/75/61/532747561.db2.gz VRNKCBUUQKFXAM-UHFFFAOYSA-N 1 0 381.249 2.408 20 0 GEADRO Cc1cccc(NC[C@H]2CCN(c3cnn(C)c(=O)c3Br)C2)[nH+]1 ZINC000301257735 532747586 /nfs/dbraw/zinc/74/75/86/532747586.db2.gz UGRXKYCLNABRAT-GFCCVEGCSA-N 1 0 378.274 2.185 20 0 GEADRO C[NH+]1CCC(CCNC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000299640852 532733366 /nfs/dbraw/zinc/73/33/66/532733366.db2.gz SOGSRDIVDFEIHV-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000410108170 532733536 /nfs/dbraw/zinc/73/35/36/532733536.db2.gz JJCODXXPEONGQH-ZDUSSCGKSA-N 1 0 389.949 2.291 20 0 GEADRO O=C(Cn1cc(Br)cn1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000613649484 532733540 /nfs/dbraw/zinc/73/35/40/532733540.db2.gz KXKJKYBXDPHXFA-MRXNPFEDSA-N 1 0 377.286 2.426 20 0 GEADRO COC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000577104109 532733726 /nfs/dbraw/zinc/73/37/26/532733726.db2.gz MCOIBCZBPMMJDO-JKSUJKDBSA-N 1 0 378.270 2.218 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000267141184 532733886 /nfs/dbraw/zinc/73/38/86/532733886.db2.gz YSKCRLBBPHISLA-OLZOCXBDSA-N 1 0 379.555 2.484 20 0 GEADRO O=C1[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCN1C1CCOCC1 ZINC000673886318 532734330 /nfs/dbraw/zinc/73/43/30/532734330.db2.gz UHUPYNPCKAWAJM-CQSZACIVSA-N 1 0 397.269 2.047 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1=O ZINC000577136762 532734865 /nfs/dbraw/zinc/73/48/65/532734865.db2.gz ZBHGLUIGMQRDDV-HZUKXOBISA-N 1 0 384.307 2.376 20 0 GEADRO CCS(=O)(=O)Nc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000267158770 532735230 /nfs/dbraw/zinc/73/52/30/532735230.db2.gz IWUMBGBQWXOJTF-MRXNPFEDSA-N 1 0 386.543 2.007 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000674406122 532736895 /nfs/dbraw/zinc/73/68/95/532736895.db2.gz KQAWJIHDPUGWHJ-MRVPVSSYSA-N 1 0 392.656 2.391 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)CCCSc1ccc(Br)cc1 ZINC000578498910 532737151 /nfs/dbraw/zinc/73/71/51/532737151.db2.gz UFEYOIMMHFMTDQ-CQSZACIVSA-N 1 0 386.359 2.341 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000578508145 532737510 /nfs/dbraw/zinc/73/75/10/532737510.db2.gz YYFPSMXKEQVBIX-AWEZNQCLSA-N 1 0 396.329 2.383 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1Br ZINC000578502047 532737683 /nfs/dbraw/zinc/73/76/83/532737683.db2.gz RRZJAEHFLLLIAL-SKDRFNHKSA-N 1 0 386.677 2.170 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC000578505239 532737852 /nfs/dbraw/zinc/73/78/52/532737852.db2.gz HSBRPOZJBQVMGF-SECBINFHSA-N 1 0 379.766 2.245 20 0 GEADRO CCC(=O)N1CCC([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)s2)CC1 ZINC000674909093 532737849 /nfs/dbraw/zinc/73/78/49/532737849.db2.gz IDGAORYXXRPXHX-UHFFFAOYSA-N 1 0 387.571 2.269 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000267202388 532738202 /nfs/dbraw/zinc/73/82/02/532738202.db2.gz OWWFNTBRCPOSLT-UHFFFAOYSA-N 1 0 386.370 2.359 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2cc(Br)sc2[nH]1 ZINC000614507042 532738847 /nfs/dbraw/zinc/73/88/47/532738847.db2.gz LGJGJECFFHJGEQ-LLVKDONJSA-N 1 0 383.315 2.112 20 0 GEADRO Cc1c2cc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)[nH]c2ccc1Br ZINC000614515598 532739556 /nfs/dbraw/zinc/73/95/56/532739556.db2.gz XIWCXRZZQSDZKM-CYBMUJFWSA-N 1 0 391.313 2.359 20 0 GEADRO O=C(NCc1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267344394 532740065 /nfs/dbraw/zinc/74/00/65/532740065.db2.gz OGUPFIGGRMFHDH-HNNXBMFYSA-N 1 0 382.302 2.313 20 0 GEADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1c(I)cnn1C ZINC000501207523 532740087 /nfs/dbraw/zinc/74/00/87/532740087.db2.gz HFAHRPCERGIIDR-LLVKDONJSA-N 1 0 390.269 2.019 20 0 GEADRO C[NH+](C)CCOCCNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000541528735 532754676 /nfs/dbraw/zinc/75/46/76/532754676.db2.gz QHDOXKOZQBYXSJ-KRWDZBQOSA-N 1 0 398.345 2.280 20 0 GEADRO Cn1ccc(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)n1 ZINC000581365870 532754754 /nfs/dbraw/zinc/75/47/54/532754754.db2.gz PZIFFPDVJWBQOL-ZDUSSCGKSA-N 1 0 388.693 2.408 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000581346769 532754769 /nfs/dbraw/zinc/75/47/69/532754769.db2.gz 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COC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000506251167 532752452 /nfs/dbraw/zinc/75/24/52/532752452.db2.gz ZCGBNWHJTVKEJO-HOCLYGCPSA-N 1 0 398.297 2.464 20 0 GEADRO [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000269032031 532775274 /nfs/dbraw/zinc/77/52/74/532775274.db2.gz AWYNPPNVSBJNNZ-DZGCQCFKSA-N 1 0 383.275 2.419 20 0 GEADRO CN(C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000303902987 532776516 /nfs/dbraw/zinc/77/65/16/532776516.db2.gz LNBWJBUUBSZLSJ-CZUORRHYSA-N 1 0 394.313 2.355 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000512177938 532776797 /nfs/dbraw/zinc/77/67/97/532776797.db2.gz HKGMAQXSBYSCHE-ABAIWWIYSA-N 1 0 381.325 2.288 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)c1cccc(Br)c1I ZINC000309815273 532777293 /nfs/dbraw/zinc/77/72/93/532777293.db2.gz VDZOAQQBZYUIPR-ZCFIWIBFSA-N 1 0 383.027 2.131 20 0 GEADRO COc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(I)c1 ZINC000269241990 532777377 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C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620478181 532763483 /nfs/dbraw/zinc/76/34/83/532763483.db2.gz UEADIJXEPMZARZ-BBRMVZONSA-N 1 0 397.313 2.274 20 0 GEADRO C[NH+](C)CC1(NC(=O)c2[nH]nc3ccc(I)cc32)CCC1 ZINC000508645015 532763608 /nfs/dbraw/zinc/76/36/08/532763608.db2.gz JBOHNFYWVRZNNS-UHFFFAOYSA-N 1 0 398.248 2.382 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)C[C@H]1CCCCC1(F)F)N1CC[NH+](C)CC1 ZINC000583065558 532763683 /nfs/dbraw/zinc/76/36/83/532763683.db2.gz LMDVOYRSZHNCEK-CVEARBPZSA-N 1 0 381.533 2.003 20 0 GEADRO O=C(CCOc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620488756 532763980 /nfs/dbraw/zinc/76/39/80/532763980.db2.gz LXGQHWUMGWEFIW-MRXNPFEDSA-N 1 0 397.313 2.276 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CSc2ccc(Br)cc21 ZINC000583073532 532764062 /nfs/dbraw/zinc/76/40/62/532764062.db2.gz OKMRWFCYEXDZRO-AAEUAGOBSA-N 1 0 386.315 2.274 20 0 GEADRO COc1cnc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC000411498397 532764066 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O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584528280 532768152 /nfs/dbraw/zinc/76/81/52/532768152.db2.gz LXXSTOFDKIQCCH-HUUCEWRRSA-N 1 0 394.313 2.027 20 0 GEADRO Cc1cc(C[C@H](C)[NH2+]CCS(=O)(=O)c2cccc(Br)c2)[nH]n1 ZINC000584524882 532768338 /nfs/dbraw/zinc/76/83/38/532768338.db2.gz MBVCPRQGLZOBRU-NSHDSACASA-N 1 0 386.315 2.475 20 0 GEADRO C[S@@](=O)C1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000584525416 532768910 /nfs/dbraw/zinc/76/89/10/532768910.db2.gz IAOFKLHSXRRCDX-WHEQGISXSA-N 1 0 394.306 2.219 20 0 GEADRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000268795781 532769948 /nfs/dbraw/zinc/76/99/48/532769948.db2.gz NUVSGMMJDRYWPM-CYBMUJFWSA-N 1 0 395.301 2.339 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000268809090 532770808 /nfs/dbraw/zinc/77/08/08/532770808.db2.gz SPLPEXJABFADMY-SUMWQHHRSA-N 1 0 385.917 2.403 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268808411 532771517 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COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000315213845 532782205 /nfs/dbraw/zinc/78/22/05/532782205.db2.gz IHYSYBIYGYQQBV-KBPBESRZSA-N 1 0 389.315 2.363 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nnnn1-c1ccccc1Br ZINC000287098951 532783246 /nfs/dbraw/zinc/78/32/46/532783246.db2.gz WHYZVFDGKCCXSV-DZGCQCFKSA-N 1 0 391.317 2.483 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC000412003203 532783471 /nfs/dbraw/zinc/78/34/71/532783471.db2.gz OVHMECCOQDRKPE-UHFFFAOYSA-N 1 0 384.318 2.396 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000317218257 532783586 /nfs/dbraw/zinc/78/35/86/532783586.db2.gz XUBGENQFBWZMOE-OLZOCXBDSA-N 1 0 389.315 2.363 20 0 GEADRO CC(C)[N@@H+](CC(=O)N(C)Cc1ccccc1Br)C[C@H]1CCC(=O)N1 ZINC000412078016 532784275 /nfs/dbraw/zinc/78/42/75/532784275.db2.gz UFZMVRZVZVFXEK-OAHLLOKOSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000412074703 532784671 /nfs/dbraw/zinc/78/46/71/532784671.db2.gz IRWJWEMTJTXCSD-RYUDHWBXSA-N 1 0 388.249 2.323 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cncc(I)c1 ZINC000287161529 532784838 /nfs/dbraw/zinc/78/48/38/532784838.db2.gz NTWJAPASVDXGSH-FZMZJTMJSA-N 1 0 385.249 2.385 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000457081451 532785704 /nfs/dbraw/zinc/78/57/04/532785704.db2.gz CYXVPUJVSSKKFA-ZDUSSCGKSA-N 1 0 396.289 2.237 20 0 GEADRO CCC(=O)N1CSC[C@@H]1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079449 532785777 /nfs/dbraw/zinc/78/57/77/532785777.db2.gz FJJRWFHOVBXYIB-CYBMUJFWSA-N 1 0 381.464 2.173 20 0 GEADRO C[N@H+](CCCCNC(=O)CNC(=O)c1ccc(Br)s1)C1CC1 ZINC000457164285 532788543 /nfs/dbraw/zinc/78/85/43/532788543.db2.gz IOFOXBCKZIEKAL-UHFFFAOYSA-N 1 0 388.331 2.231 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000412360443 532789344 /nfs/dbraw/zinc/78/93/44/532789344.db2.gz JLNOEPDSWUCBGW-PHIMTYICSA-N 1 0 387.265 2.498 20 0 GEADRO COc1cc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)cn1 ZINC000287277835 532789846 /nfs/dbraw/zinc/78/98/46/532789846.db2.gz BIACNBQNEJIGCV-VIFPVBQESA-N 1 0 385.383 2.194 20 0 GEADRO CCOC(=O)Cc1cnc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)s1 ZINC000412410026 532790972 /nfs/dbraw/zinc/79/09/72/532790972.db2.gz SFGYRNIGSQYUJA-ZDUSSCGKSA-N 1 0 383.539 2.405 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(Cl)s1 ZINC000287319159 532791446 /nfs/dbraw/zinc/79/14/46/532791446.db2.gz DHNMSRDPHBPOAA-DTWKUNHWSA-N 1 0 392.852 2.379 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)Cc2cc(Br)ccc2F)ccc1=O ZINC000270099289 532794613 /nfs/dbraw/zinc/79/46/13/532794613.db2.gz LCFWEFXCHKKBNF-UHFFFAOYSA-N 1 0 396.260 2.493 20 0 GEADRO CNC(=O)c1cccc(NC(=O)NCC[N@H+]2CC=CCC2)c1Br ZINC000287418348 532795076 /nfs/dbraw/zinc/79/50/76/532795076.db2.gz NUVRFOBCJHBQSJ-UHFFFAOYSA-N 1 0 381.274 2.192 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccnc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000287446528 532796434 /nfs/dbraw/zinc/79/64/34/532796434.db2.gz QUUKXVMIWMEDSH-NEPJUHHUSA-N 1 0 395.472 2.301 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCc3nccs3)CC2)cc1 ZINC000542774814 532780055 /nfs/dbraw/zinc/78/00/55/532780055.db2.gz NVASMQXHMWYTOE-UHFFFAOYSA-N 1 0 381.523 2.137 20 0 GEADRO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000411918251 532780416 /nfs/dbraw/zinc/78/04/16/532780416.db2.gz ONGCAFVRKMIETE-VXGBXAGGSA-N 1 0 388.295 2.357 20 0 GEADRO COC(=O)[C@@H]1CN(Cc2nc3cc(Br)ccc3o2)CC[N@H+](C)C1 ZINC000411923743 532780426 /nfs/dbraw/zinc/78/04/26/532780426.db2.gz WQTGRTXFLYWVTB-NSHDSACASA-N 1 0 382.258 2.127 20 0 GEADRO C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000456008888 532780576 /nfs/dbraw/zinc/78/05/76/532780576.db2.gz UDQYIFNHVJIMGU-DLBZAZTESA-N 1 0 381.314 2.468 20 0 GEADRO COC(=O)[C@H]1CN(C)CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000411925414 532780805 /nfs/dbraw/zinc/78/08/05/532780805.db2.gz ZHVVLXMYIKSSBX-LBPRGKRZSA-N 1 0 388.295 2.359 20 0 GEADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc2nc(Cl)cnc2c1 ZINC000269387100 532780888 /nfs/dbraw/zinc/78/08/88/532780888.db2.gz BKYYYONSYHHGGO-UHFFFAOYSA-N 1 0 380.901 2.436 20 0 GEADRO CC[NH+](CC)CCN(Cc1ccccc1)c1nc(C)c(S(N)(=O)=O)s1 ZINC000554927158 532806278 /nfs/dbraw/zinc/80/62/78/532806278.db2.gz BKVOLMLWEFMKCC-UHFFFAOYSA-N 1 0 382.555 2.447 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000271275832 532806467 /nfs/dbraw/zinc/80/64/67/532806467.db2.gz NFOFGVMHHDTQMU-CYBMUJFWSA-N 1 0 378.274 2.192 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cccnc3C(F)(F)F)C2)CC1 ZINC000287692311 532807021 /nfs/dbraw/zinc/80/70/21/532807021.db2.gz FJZQUYZUTVXLIT-ZDUSSCGKSA-N 1 0 377.432 2.453 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC[N@H+](C)C(C)C)c1 ZINC000413225126 532807925 /nfs/dbraw/zinc/80/79/25/532807925.db2.gz NETCTKLFMPSIIM-UHFFFAOYSA-N 1 0 375.922 2.273 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000413236396 532807963 /nfs/dbraw/zinc/80/79/63/532807963.db2.gz BRGDBSPIMNLTOX-AWEZNQCLSA-N 1 0 383.334 2.193 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)NCc2ccc(Br)cc2C)CC[N@H+](C)C1 ZINC000413272671 532808415 /nfs/dbraw/zinc/80/84/15/532808415.db2.gz XVCFGYYLAZFYFR-CQSZACIVSA-N 1 0 398.301 2.004 20 0 GEADRO O=C(NCc1cccs1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000555645194 532808578 /nfs/dbraw/zinc/80/85/78/532808578.db2.gz SZVTVUWDHBURKY-UHFFFAOYSA-N 1 0 381.567 2.232 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000413253394 532808641 /nfs/dbraw/zinc/80/86/41/532808641.db2.gz USGORHQYZHHQGK-LBPRGKRZSA-N 1 0 387.933 2.416 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc2nccnc2c1Br ZINC000287808454 532809968 /nfs/dbraw/zinc/80/99/68/532809968.db2.gz UQSVZPDIVYJPJZ-UHFFFAOYSA-N 1 0 396.289 2.434 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000287806296 532810059 /nfs/dbraw/zinc/81/00/59/532810059.db2.gz WTXXUJPBNNELGW-ZDUSSCGKSA-N 1 0 391.269 2.146 20 0 GEADRO CCS(=O)(=O)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000413332184 532810155 /nfs/dbraw/zinc/81/01/55/532810155.db2.gz QAKNPHXFLMPYKZ-HOCLYGCPSA-N 1 0 387.571 2.255 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000556355713 532810354 /nfs/dbraw/zinc/81/03/54/532810354.db2.gz VBZOLZNEKSQYPO-KBPBESRZSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000556355714 532810408 /nfs/dbraw/zinc/81/04/08/532810408.db2.gz VBZOLZNEKSQYPO-KGLIPLIRSA-N 1 0 396.329 2.474 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459697642 532797419 /nfs/dbraw/zinc/79/74/19/532797419.db2.gz YRDHLKYCYHFSRB-DZGCQCFKSA-N 1 0 385.302 2.070 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000270407728 532797631 /nfs/dbraw/zinc/79/76/31/532797631.db2.gz QLWMBEIIKQUHPX-OAHLLOKOSA-N 1 0 397.313 2.277 20 0 GEADRO Brc1ccsc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459684744 532797702 /nfs/dbraw/zinc/79/77/02/532797702.db2.gz DVAKRYYYVOSATO-UHFFFAOYSA-N 1 0 375.332 2.482 20 0 GEADRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccccc1I ZINC000287503580 532798511 /nfs/dbraw/zinc/79/85/11/532798511.db2.gz UDXDCGHBAVEIBP-NSHDSACASA-N 1 0 376.238 2.323 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21)[NH+](C)C ZINC000287573319 532799919 /nfs/dbraw/zinc/79/99/19/532799919.db2.gz VTOKBGQPGJROQI-SNVBAGLBSA-N 1 0 379.258 2.002 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000551570499 532801048 /nfs/dbraw/zinc/80/10/48/532801048.db2.gz FNVIZRXJBFZEDQ-CQSZACIVSA-N 1 0 378.416 2.007 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NC3CC[NH+](C(C)(C)C)CC3)cnc2c1Cl ZINC000329146674 532802786 /nfs/dbraw/zinc/80/27/86/532802786.db2.gz XJFBCTYYBGUUMG-UHFFFAOYSA-N 1 0 385.921 2.232 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000271031805 532803321 /nfs/dbraw/zinc/80/33/21/532803321.db2.gz XIFWMRYDSWIEIU-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000552340027 532803571 /nfs/dbraw/zinc/80/35/71/532803571.db2.gz JFLXXGSZMXOEIE-XJKSGUPXSA-N 1 0 387.933 2.461 20 0 GEADRO CN(CC(=O)Nc1ccc(I)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000554075007 532804161 /nfs/dbraw/zinc/80/41/61/532804161.db2.gz NODIHTXGTAWSHS-HNNXBMFYSA-N 1 0 399.276 2.398 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000413434214 532812413 /nfs/dbraw/zinc/81/24/13/532812413.db2.gz FQBRXYCNNAPDBI-BLLLJJGKSA-N 1 0 387.933 2.416 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1ccc(F)c(Cl)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000272213155 532813482 /nfs/dbraw/zinc/81/34/82/532813482.db2.gz IYUGMOWMFIRDLY-NSHDSACASA-N 1 0 394.871 2.199 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@]2(CCOC2)O1 ZINC000330164850 532815012 /nfs/dbraw/zinc/81/50/12/532815012.db2.gz WJZFBNLGSSKKSB-UKPHBRMFSA-N 1 0 386.286 2.069 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCn2ccnc2C1 ZINC000330092662 532814060 /nfs/dbraw/zinc/81/40/60/532814060.db2.gz YYFVBZUPIZFQBF-SNVBAGLBSA-N 1 0 388.262 2.386 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000413725057 532814262 /nfs/dbraw/zinc/81/42/62/532814262.db2.gz JOLRMRXFEBPIEC-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCCC(C)(C)S(C)(=O)=O ZINC000413731969 532814326 /nfs/dbraw/zinc/81/43/26/532814326.db2.gz XGOCCCJMOZBELL-HZPDHXFCSA-N 1 0 375.579 2.400 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(Br)ccc3F)[C@H]2C1 ZINC000272368650 532814455 /nfs/dbraw/zinc/81/44/55/532814455.db2.gz UJSJMCOPXVAYFH-YGRLFVJLSA-N 1 0 384.249 2.079 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1Cl ZINC000272367202 532814712 /nfs/dbraw/zinc/81/47/12/532814712.db2.gz UCGWZVOPZUUNJQ-HZMBPMFUSA-N 1 0 386.279 2.493 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000272710436 532817333 /nfs/dbraw/zinc/81/73/33/532817333.db2.gz VIJDHNMREVXILS-CHWSQXEVSA-N 1 0 386.539 2.466 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000330344401 532817503 /nfs/dbraw/zinc/81/75/03/532817503.db2.gz CWXHPTJJXXTYMQ-GFCCVEGCSA-N 1 0 387.958 2.469 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000272479084 532815974 /nfs/dbraw/zinc/81/59/74/532815974.db2.gz JCLJXEYMUXEBKR-GFCCVEGCSA-N 1 0 388.917 2.477 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3I)[C@@H]2C1 ZINC000272500367 532816403 /nfs/dbraw/zinc/81/64/03/532816403.db2.gz NSRLXQHACBQACN-SWLSCSKDSA-N 1 0 384.261 2.386 20 0 GEADRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414086762 532818609 /nfs/dbraw/zinc/81/86/09/532818609.db2.gz ZUQVPRBZCVSUSJ-CQSZACIVSA-N 1 0 392.297 2.327 20 0 GEADRO C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc(Br)cc1F ZINC000288173698 532819632 /nfs/dbraw/zinc/81/96/32/532819632.db2.gz CPGBMWQVVMGZCN-MEBBXXQBSA-N 1 0 376.270 2.261 20 0 GEADRO CCOC(=O)c1cc(Cl)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000414148759 532819930 /nfs/dbraw/zinc/81/99/30/532819930.db2.gz TXXYLEMSNSDNBB-ZDUSSCGKSA-N 1 0 391.295 2.157 20 0 GEADRO O[C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)Cn1ccnn1 ZINC000414196762 532820107 /nfs/dbraw/zinc/82/01/07/532820107.db2.gz VHIXYIXTAQZZJB-DLBZAZTESA-N 1 0 395.301 2.159 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000288128551 532818106 /nfs/dbraw/zinc/81/81/06/532818106.db2.gz KPCQSGUNKSCNJH-JTQLQIEISA-N 1 0 379.258 2.002 20 0 GEADRO COCCNC(=O)C1([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000414217326 532820760 /nfs/dbraw/zinc/82/07/60/532820760.db2.gz YEKIKWUYJZLNBK-LBPRGKRZSA-N 1 0 398.301 2.051 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000414263610 532821262 /nfs/dbraw/zinc/82/12/62/532821262.db2.gz KIABGKPJLMGDHV-INIZCTEOSA-N 1 0 379.913 2.352 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)s1 ZINC000414251408 532821407 /nfs/dbraw/zinc/82/14/07/532821407.db2.gz CDEMBNSUGZBFND-AWEZNQCLSA-N 1 0 386.564 2.376 20 0 GEADRO CCS(=O)(=O)CCC[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000414349880 532821689 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CS[C@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)C[C@H]1[NH+]1CCCC1 ZINC000273529765 532825618 /nfs/dbraw/zinc/82/56/18/532825618.db2.gz QYYUNRHZSWGCAW-CVEARBPZSA-N 1 0 377.539 2.040 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000273554045 532826307 /nfs/dbraw/zinc/82/63/07/532826307.db2.gz ZFXHZIMTWWOYNL-CYBMUJFWSA-N 1 0 380.905 2.226 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1coc(C(N)=O)c1 ZINC000273574396 532826682 /nfs/dbraw/zinc/82/66/82/532826682.db2.gz FSLCDHVJWZRZEN-UHFFFAOYSA-N 1 0 394.269 2.345 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[N@H+]3C)nc12 ZINC000273618784 532828457 /nfs/dbraw/zinc/82/84/57/532828457.db2.gz DGKMYEDXVPPQGZ-CQSZACIVSA-N 1 0 380.290 2.299 20 0 GEADRO CCc1ncc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000414439983 532827123 /nfs/dbraw/zinc/82/71/23/532827123.db2.gz LRPZWPDQAQKUEL-UHFFFAOYSA-N 1 0 389.308 2.414 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)N1C(=O)N[C@@H](Cc2c[nH]cn2)C1=O ZINC000288435911 532827291 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CCOc1cc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc(Br)c1O ZINC000331162743 532834462 /nfs/dbraw/zinc/83/44/62/532834462.db2.gz XHFNACZCOTVPDQ-STQMWFEESA-N 1 0 387.318 2.440 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@H](CN2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000414750046 532834480 /nfs/dbraw/zinc/83/44/80/532834480.db2.gz QKHQQVZPNNOHLV-RHSMWYFYSA-N 1 0 396.329 2.020 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000288676158 532834511 /nfs/dbraw/zinc/83/45/11/532834511.db2.gz IDXCAQGDYKORKY-UHFFFAOYSA-N 1 0 378.464 2.192 20 0 GEADRO O=C(NCc1cc(Br)cs1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414745834 532834550 /nfs/dbraw/zinc/83/45/50/532834550.db2.gz YLJJWWGTJLDVOU-UHFFFAOYSA-N 1 0 394.294 2.411 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414734564 532834684 /nfs/dbraw/zinc/83/46/84/532834684.db2.gz WBYUHXZQUHQRTP-GFCCVEGCSA-N 1 0 388.921 2.231 20 0 GEADRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000331173836 532834872 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C[C@H]1SCCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@H]1C ZINC000414870682 532835131 /nfs/dbraw/zinc/83/51/31/532835131.db2.gz COFIGRKVEMEXNU-VHSXEESVSA-N 1 0 375.416 2.455 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCn1cc(Br)cn1 ZINC000288733674 532836727 /nfs/dbraw/zinc/83/67/27/532836727.db2.gz BKAZNEDOHQQNQT-ZFWWWQNUSA-N 1 0 384.322 2.304 20 0 GEADRO CCCOc1c(Br)cc(CN(C)C[C@@H](O)C[NH3+])cc1OCC ZINC000415052122 532837383 /nfs/dbraw/zinc/83/73/83/532837383.db2.gz HRORWQDBEBTAEE-ZDUSSCGKSA-N 1 0 375.307 2.388 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000415079178 532837512 /nfs/dbraw/zinc/83/75/12/532837512.db2.gz WNJKCWFFJQFOSP-JOYOIKCWSA-N 1 0 389.237 2.419 20 0 GEADRO COc1ccc(I)c(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000415069664 532837522 /nfs/dbraw/zinc/83/75/22/532837522.db2.gz GUZKTAKTCMDNSX-KWQFWETISA-N 1 0 375.210 2.253 20 0 GEADRO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)[C@@H](C)C1 ZINC000331325391 532837946 /nfs/dbraw/zinc/83/79/46/532837946.db2.gz GDKXQZHPRYUOCV-BETUJISGSA-N 1 0 387.933 2.097 20 0 GEADRO O=C(Nc1cc(F)c(I)c(F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415113740 532837985 /nfs/dbraw/zinc/83/79/85/532837985.db2.gz FJJBTCNKULUPHM-HQJQHLMTSA-N 1 0 393.175 2.395 20 0 GEADRO COc1cc(Br)c(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1O ZINC000415131007 532838426 /nfs/dbraw/zinc/83/84/26/532838426.db2.gz RRAAJOUWOXQUPN-CYBMUJFWSA-N 1 0 396.289 2.051 20 0 GEADRO O=C1N[C@@H]2CN(Cc3cccc(Br)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415137707 532838570 /nfs/dbraw/zinc/83/85/70/532838570.db2.gz JCPDIBPIXLLXJE-SJORKVTESA-N 1 0 393.329 2.169 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000331389978 532838880 /nfs/dbraw/zinc/83/88/80/532838880.db2.gz LOTRWRFLRAIIBG-DAXOMENPSA-N 1 0 381.929 2.152 20 0 GEADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000415161216 532838993 /nfs/dbraw/zinc/83/89/93/532838993.db2.gz MAADJUOMXAAROB-AWEZNQCLSA-N 1 0 376.507 2.118 20 0 GEADRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2F)CC1)C(=O)NC(C)(C)C ZINC000359977333 209209669 /nfs/dbraw/zinc/20/96/69/209209669.db2.gz KNUJUFUGZAZCDH-AWEZNQCLSA-N 1 0 378.492 2.393 20 0 GEADRO COC(=O)c1cc(C[N@@H+]2CCCN(c3cc(C(=O)OC)ccn3)CC2)oc1C ZINC000359909956 209202737 /nfs/dbraw/zinc/20/27/37/209202737.db2.gz ZMFYROJLFSMXFQ-UHFFFAOYSA-N 1 0 387.436 2.269 20 0 GEADRO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(C)=O ZINC000359892595 209200681 /nfs/dbraw/zinc/20/06/81/209200681.db2.gz BYNGTNXUOPSTDM-QZTJIDSGSA-N 1 0 393.915 2.440 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+]C1CCC(O)(c2ccccc2)CC1)c1cccs1 ZINC000359875951 209197917 /nfs/dbraw/zinc/19/79/17/209197917.db2.gz SIECFKPROGGLTD-TVRKMHQQSA-N 1 0 395.546 2.303 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3(C4CC4)CCOCC3)c2)C1 ZINC000359865551 209194254 /nfs/dbraw/zinc/19/42/54/209194254.db2.gz GNKLAMODKCTBEI-LJQANCHMSA-N 1 0 399.535 2.207 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000331416864 532839475 /nfs/dbraw/zinc/83/94/75/532839475.db2.gz AFUXNIXVGJRSAT-GXFFZTMASA-N 1 0 389.315 2.219 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000331416869 532839504 /nfs/dbraw/zinc/83/95/04/532839504.db2.gz AFUXNIXVGJRSAT-ZWNOBZJWSA-N 1 0 389.315 2.219 20 0 GEADRO [NH3+]C[C@H](NC(=O)Nc1cc(F)c(F)cc1I)C1CC1 ZINC000415238766 532839538 /nfs/dbraw/zinc/83/95/38/532839538.db2.gz MLCQWWPWHGCZJG-NSHDSACASA-N 1 0 381.164 2.428 20 0 GEADRO [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3CCCN3C(=O)c3cccs3)sc2C1 ZINC000288836738 532839566 /nfs/dbraw/zinc/83/95/66/532839566.db2.gz VPKNTOJCKOWPHQ-CMPLNLGQSA-N 1 0 376.507 2.264 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(Cl)c1)C(=O)NC1CC[NH2+]CC1 ZINC000415268343 532839934 /nfs/dbraw/zinc/83/99/34/532839934.db2.gz KPPVSGCYQAZKBB-UHFFFAOYSA-N 1 0 378.629 2.048 20 0 GEADRO Nc1cc(N)[nH+]c(SCC(=O)c2ccc(I)cc2)n1 ZINC000006985789 212070662 /nfs/dbraw/zinc/07/06/62/212070662.db2.gz TWVYPWNDIKAPLT-UHFFFAOYSA-N 1 0 386.218 2.221 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2c(F)ccc(C)c2Br)C1 ZINC000415279980 532840402 /nfs/dbraw/zinc/84/04/02/532840402.db2.gz IKYDEMHQPDOEAZ-NSHDSACASA-N 1 0 386.265 2.293 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2C)C1 ZINC000415279641 532840460 /nfs/dbraw/zinc/84/04/60/532840460.db2.gz HVIOHWVGRQNFBW-LLVKDONJSA-N 1 0 386.265 2.293 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415283050 532840494 /nfs/dbraw/zinc/84/04/94/532840494.db2.gz MCZARXJWBBHTPP-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO COc1ccc(Br)c(NC(=O)N2CCC([N@H+](C)CCO)CC2)c1 ZINC000274060933 532840553 /nfs/dbraw/zinc/84/05/53/532840553.db2.gz TYMKWICXCUBGAD-UHFFFAOYSA-N 1 0 386.290 2.378 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000415275423 532840599 /nfs/dbraw/zinc/84/05/99/532840599.db2.gz VQSRPONZXTVNOJ-GFCCVEGCSA-N 1 0 378.885 2.276 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000415295218 532840652 /nfs/dbraw/zinc/84/06/52/532840652.db2.gz HGMPFLCJPDMTDI-JTQLQIEISA-N 1 0 379.766 2.040 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC1 ZINC000415296410 532840698 /nfs/dbraw/zinc/84/06/98/532840698.db2.gz CIUMDABBDDAOEN-UHFFFAOYSA-N 1 0 391.269 2.133 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415316699 532841269 /nfs/dbraw/zinc/84/12/69/532841269.db2.gz OKYXSWBFVYJCPW-LBPRGKRZSA-N 1 0 384.274 2.043 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415326212 532841363 /nfs/dbraw/zinc/84/13/63/532841363.db2.gz HBKVORIQYPKPMH-MRVPVSSYSA-N 1 0 392.656 2.296 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415316698 532841479 /nfs/dbraw/zinc/84/14/79/532841479.db2.gz OKYXSWBFVYJCPW-GFCCVEGCSA-N 1 0 384.274 2.043 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CN(C)[C@@H](C)c2nc(COC)no2)[C@@H]1c1cnn(C)c1 ZINC000328627647 209147977 /nfs/dbraw/zinc/14/79/77/209147977.db2.gz GJZUHPVSWUFSGE-RLFYNMQTSA-N 1 0 376.505 2.416 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415347922 532842161 /nfs/dbraw/zinc/84/21/61/532842161.db2.gz UUPXJFQIYKVZFC-QMMMGPOBSA-N 1 0 394.191 2.227 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415347349 532842234 /nfs/dbraw/zinc/84/22/34/532842234.db2.gz DAKCAHIGPSYDMH-JTQLQIEISA-N 1 0 389.244 2.239 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000415351027 532842387 /nfs/dbraw/zinc/84/23/87/532842387.db2.gz NASOJQVFTSNQGH-IUCAKERBSA-N 1 0 390.228 2.170 20 0 GEADRO O=C(Nc1cccc(F)c1I)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415357271 532842627 /nfs/dbraw/zinc/84/26/27/532842627.db2.gz IRGQOZFRYQCUGV-KCJUWKMLSA-N 1 0 375.185 2.256 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)[C@H]1CCC[NH2+]C1 ZINC000415359596 532842678 /nfs/dbraw/zinc/84/26/78/532842678.db2.gz YRPLGSJDFZMMCB-IUCAKERBSA-N 1 0 390.228 2.170 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415358967 532842687 /nfs/dbraw/zinc/84/26/87/532842687.db2.gz VGSOVWJJZDOOJE-VIFPVBQESA-N 1 0 377.844 2.443 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000415355404 532842767 /nfs/dbraw/zinc/84/27/67/532842767.db2.gz DEWNVQYGWUJCMG-UHFFFAOYSA-N 1 0 388.173 2.209 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000415373376 532842910 /nfs/dbraw/zinc/84/29/10/532842910.db2.gz HRWJDEZKVOXMSP-LBPRGKRZSA-N 1 0 378.885 2.194 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000415365719 532842946 /nfs/dbraw/zinc/84/29/46/532842946.db2.gz ZZSBZCRVAJKQSP-UHFFFAOYSA-N 1 0 376.201 2.052 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000415373374 532842959 /nfs/dbraw/zinc/84/29/59/532842959.db2.gz HRWJDEZKVOXMSP-GFCCVEGCSA-N 1 0 378.885 2.194 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415378898 532843097 /nfs/dbraw/zinc/84/30/97/532843097.db2.gz QIHDBXKGLSJIBF-MRVPVSSYSA-N 1 0 392.656 2.391 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000415372618 532843172 /nfs/dbraw/zinc/84/31/72/532843172.db2.gz RTCYFDYTGOVOOM-UHFFFAOYSA-N 1 0 376.201 2.052 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000415376297 532843206 /nfs/dbraw/zinc/84/32/06/532843206.db2.gz YGIQDNHFLLNCTN-UHFFFAOYSA-N 1 0 391.269 2.322 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415364784 532843208 /nfs/dbraw/zinc/84/32/08/532843208.db2.gz IAGIJJYPUVMQIF-UHFFFAOYSA-N 1 0 398.179 2.012 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[C@@H]1CC[NH2+]C1 ZINC000415389613 532843351 /nfs/dbraw/zinc/84/33/51/532843351.db2.gz GJNZDLOWJRZXQQ-CQSZACIVSA-N 1 0 394.313 2.477 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCSC1 ZINC000331714294 532843470 /nfs/dbraw/zinc/84/34/70/532843470.db2.gz DTDCDBAEYCBSRW-MAUKXSAKSA-N 1 0 381.929 2.246 20 0 GEADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415380836 532843520 /nfs/dbraw/zinc/84/35/20/532843520.db2.gz MGNVWSNRDSIRDP-UHFFFAOYSA-N 1 0 398.179 2.140 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000415388151 532843562 /nfs/dbraw/zinc/84/35/62/532843562.db2.gz RBFNNKWONSYRMA-SNVBAGLBSA-N 1 0 395.301 2.246 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415380814 532843649 /nfs/dbraw/zinc/84/36/49/532843649.db2.gz UAVVNDMPRILHRN-ZETCQYMHSA-N 1 0 382.180 2.260 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415384895 532843656 /nfs/dbraw/zinc/84/36/56/532843656.db2.gz AHNZFRUVHNKYQV-NSHDSACASA-N 1 0 391.269 2.052 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000415385126 532843700 /nfs/dbraw/zinc/84/37/00/532843700.db2.gz NOWPXTYSGJWIMI-MRVPVSSYSA-N 1 0 390.228 2.252 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(F)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415400997 532844061 /nfs/dbraw/zinc/84/40/61/532844061.db2.gz GMCVJOSJZLXXHM-NSHDSACASA-N 1 0 389.244 2.239 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415398586 532844143 /nfs/dbraw/zinc/84/41/43/532844143.db2.gz BVMKFLBFNXRKFG-SECBINFHSA-N 1 0 390.228 2.172 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000415396979 532844129 /nfs/dbraw/zinc/84/41/29/532844129.db2.gz VEMVZQCLESIDKN-SECBINFHSA-N 1 0 390.228 2.266 20 0 GEADRO NC(=O)[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccc(Br)c1 ZINC000274192122 532844179 /nfs/dbraw/zinc/84/41/79/532844179.db2.gz FITHCRUETWVTPW-OAHLLOKOSA-N 1 0 382.302 2.391 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H](CC[NH3+])C(F)F)ccc1Br ZINC000415405388 532844307 /nfs/dbraw/zinc/84/43/07/532844307.db2.gz MVCWKKOIMSWITE-SNVBAGLBSA-N 1 0 380.189 2.340 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415408315 532844279 /nfs/dbraw/zinc/84/42/79/532844279.db2.gz GYFYRWLCZNCHTB-LLVKDONJSA-N 1 0 386.265 2.341 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(F)cc(Br)c1F)[C@@H]1CC[NH2+]C1 ZINC000415408423 532844336 /nfs/dbraw/zinc/84/43/36/532844336.db2.gz RKKLRLLSZZBHLM-SNVBAGLBSA-N 1 0 390.228 2.266 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000415409682 532844450 /nfs/dbraw/zinc/84/44/50/532844450.db2.gz TUDQEXPSHGLKDY-LLVKDONJSA-N 1 0 392.200 2.354 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1Cl ZINC000415401101 532844583 /nfs/dbraw/zinc/84/45/83/532844583.db2.gz GZQIEPWDOCNMNI-NSHDSACASA-N 1 0 378.256 2.210 20 0 GEADRO C[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C[C@@H]1C[NH3+] ZINC000415427735 532844666 /nfs/dbraw/zinc/84/46/66/532844666.db2.gz GIHNHWNJSUMXSI-MNOVXSKESA-N 1 0 375.441 2.476 20 0 GEADRO [NH3+]C[C@H](NC(=O)Nc1ccncc1I)C1CCCCC1 ZINC000415424084 532845180 /nfs/dbraw/zinc/84/51/80/532845180.db2.gz HTKBJDCAGFNIQZ-ZDUSSCGKSA-N 1 0 388.253 2.137 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC[C@@H]1[NH3+] ZINC000415439389 532845243 /nfs/dbraw/zinc/84/52/43/532845243.db2.gz LQRTZCHVIRMUAK-ONGXEEELSA-N 1 0 375.803 2.118 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415436726 532845473 /nfs/dbraw/zinc/84/54/73/532845473.db2.gz YPDQZRLXNODWIE-ZDUSSCGKSA-N 1 0 393.285 2.425 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000274269166 532846310 /nfs/dbraw/zinc/84/63/10/532846310.db2.gz ZKWTYOZBPAGRSG-LLVKDONJSA-N 1 0 386.290 2.161 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br)C1CC1 ZINC000415456892 532846509 /nfs/dbraw/zinc/84/65/09/532846509.db2.gz RMTSMFIDTUSMMJ-LLVKDONJSA-N 1 0 394.191 2.260 20 0 GEADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000331920678 532846589 /nfs/dbraw/zinc/84/65/89/532846589.db2.gz DUOKAYBRSFLRMN-MLGOLLRUSA-N 1 0 395.297 2.138 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N2CCC([NH3+])CC2)ccc1Br ZINC000331971072 532846855 /nfs/dbraw/zinc/84/68/55/532846855.db2.gz WGRANKBOHRAPDI-MRXNPFEDSA-N 1 0 394.313 2.371 20 0 GEADRO C[C@@]1(C2CC[NH+](CCOc3cccc(Br)c3)CC2)NC(=O)NC1=O ZINC000331972052 532846872 /nfs/dbraw/zinc/84/68/72/532846872.db2.gz WRQQVQQSWVWDHR-KRWDZBQOSA-N 1 0 396.285 2.138 20 0 GEADRO [NH3+]C1CCC(NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000415483545 532846882 /nfs/dbraw/zinc/84/68/82/532846882.db2.gz MRDIZEKJJPGVCN-UHFFFAOYSA-N 1 0 379.262 2.421 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415492167 532847309 /nfs/dbraw/zinc/84/73/09/532847309.db2.gz LBDKRLRAWJBNSM-JTQLQIEISA-N 1 0 379.766 2.388 20 0 GEADRO C[C@@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C[C@H]1C[NH3+] ZINC000415486807 532847339 /nfs/dbraw/zinc/84/73/39/532847339.db2.gz QWRMKFZSKXMIFK-VXGBXAGGSA-N 1 0 393.289 2.478 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000289090384 532847361 /nfs/dbraw/zinc/84/73/61/532847361.db2.gz OSEYYDDUHGHYHI-SMDDNHRTSA-N 1 0 383.290 2.238 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415486923 532847415 /nfs/dbraw/zinc/84/74/15/532847415.db2.gz SMJFEWIMZSITAD-UHFFFAOYSA-N 1 0 378.217 2.109 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415488848 532847421 /nfs/dbraw/zinc/84/74/21/532847421.db2.gz UIRJDJOPQQUPEQ-NEPJUHHUSA-N 1 0 396.285 2.058 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415494992 532847432 /nfs/dbraw/zinc/84/74/32/532847432.db2.gz DVZJVIWUXTXQCY-SSDOTTSWSA-N 1 0 388.266 2.836 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415487966 532847467 /nfs/dbraw/zinc/84/74/67/532847467.db2.gz HORGGJMZHDKKET-ZDUSSCGKSA-N 1 0 380.286 2.087 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415493771 532847542 /nfs/dbraw/zinc/84/75/42/532847542.db2.gz YWYNGLLBKUTLRE-PWSUYJOCSA-N 1 0 379.262 2.149 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000415490932 532847547 /nfs/dbraw/zinc/84/75/47/532847547.db2.gz CNRSWRPPNQQXHG-LBPRGKRZSA-N 1 0 386.290 2.338 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415481045 532847010 /nfs/dbraw/zinc/84/70/10/532847010.db2.gz JYOAWQNPBWONTG-GFCCVEGCSA-N 1 0 379.262 2.246 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000415481127 532847012 /nfs/dbraw/zinc/84/70/12/532847012.db2.gz UZJVMDNXVZQOCE-UHFFFAOYSA-N 1 0 394.313 2.186 20 0 GEADRO Cn1ncc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1Br ZINC000274283243 532847214 /nfs/dbraw/zinc/84/72/14/532847214.db2.gz ZAYPBZVDBQJDLK-UHFFFAOYSA-N 1 0 377.286 2.012 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415497564 532847803 /nfs/dbraw/zinc/84/78/03/532847803.db2.gz IBUPFHHOJXGPGD-NSHDSACASA-N 1 0 384.303 3.072 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415498022 532847936 /nfs/dbraw/zinc/84/79/36/532847936.db2.gz IXDIDZIRMBTFMB-SSDOTTSWSA-N 1 0 388.266 2.966 20 0 GEADRO NC(=O)[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc(Br)c1 ZINC000274363009 532848643 /nfs/dbraw/zinc/84/86/43/532848643.db2.gz QSOKBXCQBTUELS-CYBMUJFWSA-N 1 0 381.299 2.110 20 0 GEADRO C[C@H](C[NH3+])NC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415526391 532848990 /nfs/dbraw/zinc/84/89/90/532848990.db2.gz GVSWHDWJTBRTAG-ZCFIWIBFSA-N 1 0 376.223 2.370 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000332090321 532849030 /nfs/dbraw/zinc/84/90/30/532849030.db2.gz UZMKLSQPOZYWDY-CVEARBPZSA-N 1 0 383.539 2.079 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415544369 532849212 /nfs/dbraw/zinc/84/92/12/532849212.db2.gz TVDWUHCETQPLFL-GHMZBOCLSA-N 1 0 391.269 2.132 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000415535446 532849300 /nfs/dbraw/zinc/84/93/00/532849300.db2.gz LEMXUPUUKVQJPW-LBPRGKRZSA-N 1 0 384.274 2.028 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)Cc1cc(OC)ccc1OC)[NH+]1CCOCC1 ZINC000097090722 211356816 /nfs/dbraw/zinc/35/68/16/211356816.db2.gz FKCLYBYPKVSTDH-LJQANCHMSA-N 1 0 378.513 2.500 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415544370 532849502 /nfs/dbraw/zinc/84/95/02/532849502.db2.gz TVDWUHCETQPLFL-MNOVXSKESA-N 1 0 391.269 2.132 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415537501 532849551 /nfs/dbraw/zinc/84/95/51/532849551.db2.gz GSDSRRWTTQMPMV-UWVGGRQHSA-N 1 0 375.803 2.118 20 0 GEADRO Brc1c(CN2CCN(CC[NH+]3CCCC3)CC2)nc2ccccn12 ZINC000289200905 532849348 /nfs/dbraw/zinc/84/93/48/532849348.db2.gz VMEGPEPZRSZCJY-UHFFFAOYSA-N 1 0 392.345 2.310 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000415559112 532849716 /nfs/dbraw/zinc/84/97/16/532849716.db2.gz YZAWRJLDKSOHOX-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415556086 532849767 /nfs/dbraw/zinc/84/97/67/532849767.db2.gz CEQJUBDJMQTEEN-PWSUYJOCSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415553211 532849833 /nfs/dbraw/zinc/84/98/33/532849833.db2.gz ODHRWEQYGVYUFV-ZETCQYMHSA-N 1 0 398.179 2.140 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415553706 532849886 /nfs/dbraw/zinc/84/98/86/532849886.db2.gz CEBUCCIBOPCGDC-UHFFFAOYSA-N 1 0 384.274 2.172 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000415559696 532849962 /nfs/dbraw/zinc/84/99/62/532849962.db2.gz TZSGZDHEUJMCLQ-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1Br)C1=CC[N@H+](C)CC1 ZINC000289216049 532850119 /nfs/dbraw/zinc/85/01/19/532850119.db2.gz CGKLHAZXVHKJKR-CYBMUJFWSA-N 1 0 394.313 2.174 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415561680 532850253 /nfs/dbraw/zinc/85/02/53/532850253.db2.gz GLHNXATULNJLOJ-RKDXNWHRSA-N 1 0 379.766 2.373 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415564578 532850539 /nfs/dbraw/zinc/85/05/39/532850539.db2.gz CIXNQFRPNPMOFI-GFCCVEGCSA-N 1 0 385.281 2.408 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc(C)c1Br ZINC000332258968 532850732 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COC(=O)c1cc(F)c(Br)cc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415632715 532851933 /nfs/dbraw/zinc/85/19/33/532851933.db2.gz WEILQIPFUAVSCL-SECBINFHSA-N 1 0 388.237 2.496 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289276024 532852011 /nfs/dbraw/zinc/85/20/11/532852011.db2.gz POOVXGQNTOIKAN-SFHVURJKSA-N 1 0 394.313 2.171 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415647457 532852237 /nfs/dbraw/zinc/85/22/37/532852237.db2.gz AKTXWOJZHHRZMN-GWCFXTLKSA-N 1 0 391.269 2.050 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000415653107 532852327 /nfs/dbraw/zinc/85/23/27/532852327.db2.gz FKBVNHKDUTUJBM-SECBINFHSA-N 1 0 381.782 2.334 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415656937 532852375 /nfs/dbraw/zinc/85/23/75/532852375.db2.gz POYSYDNHUIXWLW-WRWORJQWSA-N 1 0 392.656 2.294 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415665493 532852668 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2.432 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415680127 532853720 /nfs/dbraw/zinc/85/37/20/532853720.db2.gz QQPUQIZCUKKOKN-GFCCVEGCSA-N 1 0 398.301 2.374 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)CC[N@@H+]1C ZINC000332365255 532853227 /nfs/dbraw/zinc/85/32/27/532853227.db2.gz DLQKKGRTSHMFIH-OCCSQVGLSA-N 1 0 384.322 2.475 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC[NH2+]1 ZINC000415666296 532853248 /nfs/dbraw/zinc/85/32/48/532853248.db2.gz VYTIOZSKIQEQLQ-VHSXEESVSA-N 1 0 375.803 2.179 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1F ZINC000332388170 532854172 /nfs/dbraw/zinc/85/41/72/532854172.db2.gz WOEBLHLFDFDPQW-LOWVWBTDSA-N 1 0 398.276 2.421 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415695831 532853902 /nfs/dbraw/zinc/85/39/02/532853902.db2.gz XRPOIARMHYFDBP-LBPRGKRZSA-N 1 0 398.301 2.292 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415696348 532853941 /nfs/dbraw/zinc/85/39/41/532853941.db2.gz ZFYXKZJXTBAONH-NSHDSACASA-N 1 0 395.301 2.247 20 0 GEADRO COc1cc(Br)c(CN(C)CCC[NH+]2CCN(C)CC2)cc1O ZINC000289408130 532854015 /nfs/dbraw/zinc/85/40/15/532854015.db2.gz HMAHRDAHVSNMAV-UHFFFAOYSA-N 1 0 386.334 2.233 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415705737 532854032 /nfs/dbraw/zinc/85/40/32/532854032.db2.gz LOUBNDPWSYZHBK-QMMMGPOBSA-N 1 0 375.376 2.963 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1Br ZINC000415709023 532854447 /nfs/dbraw/zinc/85/44/47/532854447.db2.gz OQTBALGXCYYRQS-PWSUYJOCSA-N 1 0 383.290 2.448 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3c(F)cccc3Br)C[C@H]21 ZINC000332398137 532854559 /nfs/dbraw/zinc/85/45/59/532854559.db2.gz ZDLDWQICZDFVCD-GIPNMCIBSA-N 1 0 384.249 2.113 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415700260 532854179 /nfs/dbraw/zinc/85/41/79/532854179.db2.gz BXLPOXGRSISQKO-VIFPVBQESA-N 1 0 375.376 2.963 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000332383062 532854286 /nfs/dbraw/zinc/85/42/86/532854286.db2.gz VOZARTJPZDETGR-CORIIIEPSA-N 1 0 380.286 2.282 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000332383064 532854319 /nfs/dbraw/zinc/85/43/19/532854319.db2.gz VOZARTJPZDETGR-NJZAAPMLSA-N 1 0 380.286 2.282 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000274694012 532854345 /nfs/dbraw/zinc/85/43/45/532854345.db2.gz RQJWPBYTKISTIX-CQSZACIVSA-N 1 0 390.933 2.328 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(OC)c(Br)cc2C(=O)OC)C1 ZINC000415735393 532854908 /nfs/dbraw/zinc/85/49/08/532854908.db2.gz YWBXOGNATYPDMZ-VIFPVBQESA-N 1 0 386.246 2.070 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CCO1 ZINC000274726416 532855374 /nfs/dbraw/zinc/85/53/74/532855374.db2.gz BYFRBCUFJDRKMD-LBPRGKRZSA-N 1 0 379.869 2.454 20 0 GEADRO [NH3+]CC[C@H](NC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)C(F)F ZINC000415733717 532855217 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COc1cc(I)ccc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415772141 532856994 /nfs/dbraw/zinc/85/69/94/532856994.db2.gz JAQAVUNNCRREET-JTQLQIEISA-N 1 0 375.210 2.159 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)C1 ZINC000332591434 532857569 /nfs/dbraw/zinc/85/75/69/532857569.db2.gz KOCVIRJPKPXYFE-VXGBXAGGSA-N 1 0 384.307 2.464 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415778827 532857021 /nfs/dbraw/zinc/85/70/21/532857021.db2.gz GTTKOYBTLFCPFK-ZETCQYMHSA-N 1 0 398.179 2.140 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000289522528 532857115 /nfs/dbraw/zinc/85/71/15/532857115.db2.gz RRBZZEHZGYMRPQ-INIZCTEOSA-N 1 0 390.933 2.002 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H]1[NH+]1CCCC1 ZINC000274846303 532857744 /nfs/dbraw/zinc/85/77/44/532857744.db2.gz SVYSDWZBSGAFBL-UONOGXRCSA-N 1 0 375.947 2.076 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000415792878 532857810 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20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415819864 532858691 /nfs/dbraw/zinc/85/86/91/532858691.db2.gz JPZAJYLQBPLTQX-RYUDHWBXSA-N 1 0 398.276 2.375 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415819569 532858737 /nfs/dbraw/zinc/85/87/37/532858737.db2.gz YJGCOZJHEBWKAO-DTWKUNHWSA-N 1 0 390.228 2.300 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415820526 532858749 /nfs/dbraw/zinc/85/87/49/532858749.db2.gz ZZYDMNPAZJCVHU-WCBMZHEXSA-N 1 0 390.228 2.300 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC[NH2+]1 ZINC000415823561 532858794 /nfs/dbraw/zinc/85/87/94/532858794.db2.gz QNMPAQLCNPZCBQ-UHFFFAOYSA-N 1 0 375.803 2.133 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1Br ZINC000415820804 532858880 /nfs/dbraw/zinc/85/88/80/532858880.db2.gz CSACBKVCOVYQDP-ZDUSSCGKSA-N 1 0 384.274 2.030 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415818025 532858931 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2.401 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415834546 532859343 /nfs/dbraw/zinc/85/93/43/532859343.db2.gz APFQOZWRDVOLHI-VXGBXAGGSA-N 1 0 398.301 2.230 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000415839082 532859647 /nfs/dbraw/zinc/85/96/47/532859647.db2.gz MDCJHIBCTBBQCI-AWEZNQCLSA-N 1 0 384.274 2.030 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415839168 532859890 /nfs/dbraw/zinc/85/98/90/532859890.db2.gz OLNDVGDIZXQDCC-MNOVXSKESA-N 1 0 391.269 2.179 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C[C@H]1C[NH3+] ZINC000415855078 532860606 /nfs/dbraw/zinc/86/06/06/532860606.db2.gz XTEBTGHRQFPIRS-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000415853968 532860682 /nfs/dbraw/zinc/86/06/82/532860682.db2.gz VNISUCLBSXSAFZ-NXEZZACHSA-N 1 0 375.803 2.323 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1F ZINC000415852172 532860775 /nfs/dbraw/zinc/86/07/75/532860775.db2.gz QHSVGXPEWJJMTN-KOLCDFICSA-N 1 0 386.265 2.278 20 0 GEADRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000289599161 532860488 /nfs/dbraw/zinc/86/04/88/532860488.db2.gz NPVLYLMMFOXGHI-ZDUSSCGKSA-N 1 0 385.917 2.078 20 0 GEADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415864205 532861089 /nfs/dbraw/zinc/86/10/89/532861089.db2.gz HRDWWVMQVBLTHK-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000415867324 532861120 /nfs/dbraw/zinc/86/11/20/532861120.db2.gz ATKQINSTDPKUTL-MBNYWOFBSA-N 1 0 380.286 2.200 20 0 GEADRO C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)C(=O)N(C)CC[NH3+] ZINC000415875724 532861525 /nfs/dbraw/zinc/86/15/25/532861525.db2.gz DOXMNOFLXBXCOG-JTQLQIEISA-N 1 0 384.267 2.155 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415878118 532861554 /nfs/dbraw/zinc/86/15/54/532861554.db2.gz 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C[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C1CC1 ZINC000275039024 532862167 /nfs/dbraw/zinc/86/21/67/532862167.db2.gz DTOIPONGSOPHFG-ZDUSSCGKSA-N 1 0 388.917 2.128 20 0 GEADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289670182 532862852 /nfs/dbraw/zinc/86/28/52/532862852.db2.gz DCXRYKAQRFNJPK-AWEZNQCLSA-N 1 0 377.286 2.050 20 0 GEADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000289694399 532863293 /nfs/dbraw/zinc/86/32/93/532863293.db2.gz SRFVECCCZMJEDK-DZGCQCFKSA-N 1 0 385.917 2.451 20 0 GEADRO CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000416036522 532863371 /nfs/dbraw/zinc/86/33/71/532863371.db2.gz YMCSIQCATWJHIY-CMPLNLGQSA-N 1 0 399.822 2.090 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NC[C@H](CO)Cc1c(F)cccc1Cl)C(F)(F)F ZINC000416008607 532863108 /nfs/dbraw/zinc/86/31/08/532863108.db2.gz ODDKXDHCXBIVET-NOZJJQNGSA-N 1 0 385.789 2.209 20 0 GEADRO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000416044705 532863535 /nfs/dbraw/zinc/86/35/35/532863535.db2.gz MIYNHRVAQVQPAI-MFKMUULPSA-N 1 0 381.420 2.120 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCCCCn1cc(Br)cn1)C(F)(F)F ZINC000416040542 532863598 /nfs/dbraw/zinc/86/35/98/532863598.db2.gz HLPWWIOJXUXELR-JTQLQIEISA-N 1 0 386.216 2.005 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289757966 532864179 /nfs/dbraw/zinc/86/41/79/532864179.db2.gz MWZPYAVHAMSMRZ-VXGBXAGGSA-N 1 0 376.507 2.067 20 0 GEADRO COCC[N@H+](C)CCNC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416146061 532865072 /nfs/dbraw/zinc/86/50/72/532865072.db2.gz NQAZYNIHOHQNIX-UHFFFAOYSA-N 1 0 381.673 2.479 20 0 GEADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289794976 532864844 /nfs/dbraw/zinc/86/48/44/532864844.db2.gz OQDFMKYGDRETJK-CHWSQXEVSA-N 1 0 375.270 2.316 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000333151557 532865422 /nfs/dbraw/zinc/86/54/22/532865422.db2.gz FUQZNMRKUKAQNG-LRDDRELGSA-N 1 0 396.333 2.341 20 0 GEADRO COc1cc(C[NH2+]CCN2CCSCC2)cc(OC)c1OCC(F)F ZINC000289804615 532865459 /nfs/dbraw/zinc/86/54/59/532865459.db2.gz RRSKMQRQOXOFNF-UHFFFAOYSA-N 1 0 376.469 2.486 20 0 GEADRO C[C@H]([C@@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)S(C)(=O)=O ZINC000416166563 532865842 /nfs/dbraw/zinc/86/58/42/532865842.db2.gz MSIOZCRLSHTCPY-VXGBXAGGSA-N 1 0 376.906 2.288 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1=O ZINC000333200382 532865762 /nfs/dbraw/zinc/86/57/62/532865762.db2.gz XMYXPCATROSTFP-AWEZNQCLSA-N 1 0 397.317 2.390 20 0 GEADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333195681 532865823 /nfs/dbraw/zinc/86/58/23/532865823.db2.gz UBDKNFDVDAJWEW-ABAIWWIYSA-N 1 0 376.258 2.460 20 0 GEADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000289837813 532865827 /nfs/dbraw/zinc/86/58/27/532865827.db2.gz DZVDZQGVEKDNOC-GHMZBOCLSA-N 1 0 378.279 2.400 20 0 GEADRO Cn1cc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(Br)c1=O ZINC000333191145 532865904 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C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccc(Br)cc4c3O)[C@@H]2C1 ZINC000333354816 532867623 /nfs/dbraw/zinc/86/76/23/532867623.db2.gz SGNURMVYWWRHIL-BDJLRTHQSA-N 1 0 390.281 2.457 20 0 GEADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000275187605 532868092 /nfs/dbraw/zinc/86/80/92/532868092.db2.gz CCSOBBFJPHUXMU-VBNZEHGJSA-N 1 0 385.555 2.315 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCC(c2ccccc2Br)CC1 ZINC000333467100 532869108 /nfs/dbraw/zinc/86/91/08/532869108.db2.gz CYWKCNVDWRBMPP-CQSZACIVSA-N 1 0 382.302 2.327 20 0 GEADRO CSc1ccc(Cl)c(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000333472090 532869115 /nfs/dbraw/zinc/86/91/15/532869115.db2.gz GAPUODRPBBNYHE-ZDUSSCGKSA-N 1 0 381.929 2.488 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000333501985 532869858 /nfs/dbraw/zinc/86/98/58/532869858.db2.gz FLXXOOXNVIBKGT-YOEHRIQHSA-N 1 0 381.523 2.203 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1cn[nH]c1 ZINC000275238447 532869712 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C[NH+]1CCC2(CCCN2C(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000333651716 532871322 /nfs/dbraw/zinc/87/13/22/532871322.db2.gz KOIVZDCQDNPSFK-UHFFFAOYSA-N 1 0 393.289 2.584 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1cccc(F)c1Br ZINC000416316846 532871046 /nfs/dbraw/zinc/87/10/46/532871046.db2.gz WEZGAWGRGRUAMF-STQMWFEESA-N 1 0 387.293 2.434 20 0 GEADRO C[C@H]1CC2(CN1Cc1nnnn1-c1ccccc1Br)CC[NH2+]CC2 ZINC000333575172 532871082 /nfs/dbraw/zinc/87/10/82/532871082.db2.gz MZCHIUXBMPFPON-ZDUSSCGKSA-N 1 0 391.317 2.389 20 0 GEADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)s1 ZINC000290062321 532871517 /nfs/dbraw/zinc/87/15/17/532871517.db2.gz HKMKLYQLXQWROL-NSHDSACASA-N 1 0 375.516 2.405 20 0 GEADRO CN(C)c1cc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)ncc1Br ZINC000333693951 532871962 /nfs/dbraw/zinc/87/19/62/532871962.db2.gz QTOAKJWIZATUJP-NEPJUHHUSA-N 1 0 396.289 2.185 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(F)ccc3Cl)CC2)C1 ZINC000333716756 532872349 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CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Br)cn1 ZINC000420457711 532883561 /nfs/dbraw/zinc/88/35/61/532883561.db2.gz IDGDTQUROKNIQL-AWEZNQCLSA-N 1 0 384.299 2.385 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000420457605 532883730 /nfs/dbraw/zinc/88/37/30/532883730.db2.gz HXUOINIWFGEERS-LRDDRELGSA-N 1 0 386.901 2.279 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275805434 532883736 /nfs/dbraw/zinc/88/37/36/532883736.db2.gz ICKQAFAJFVCFGM-CYBMUJFWSA-N 1 0 381.523 2.158 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418436561 532880869 /nfs/dbraw/zinc/88/08/69/532880869.db2.gz IPHNUZQWEKZJOE-CYBMUJFWSA-N 1 0 376.270 2.438 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418437870 532880905 /nfs/dbraw/zinc/88/09/05/532880905.db2.gz LGVIRMKRQCPCHM-AWEZNQCLSA-N 1 0 386.334 2.417 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418447099 532881321 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C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCC1 ZINC000275930265 532886368 /nfs/dbraw/zinc/88/63/68/532886368.db2.gz XXZSGNHDMURLSB-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1Br)C1=CC[N@H+](C)CC1 ZINC000275950057 532886645 /nfs/dbraw/zinc/88/66/45/532886645.db2.gz BNDBCXACAPYVNR-SNVBAGLBSA-N 1 0 384.249 2.293 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1O ZINC000290694184 532886881 /nfs/dbraw/zinc/88/68/81/532886881.db2.gz MXPVVGOMFFFVIL-NSHDSACASA-N 1 0 378.441 2.316 20 0 GEADRO CS[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@@H]1[NH+]1CCCC1 ZINC000290699815 532887116 /nfs/dbraw/zinc/88/71/16/532887116.db2.gz LMRVRMFKOPUGQA-QWHCGFSZSA-N 1 0 376.448 2.249 20 0 GEADRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000420949020 532887391 /nfs/dbraw/zinc/88/73/91/532887391.db2.gz VFXKPDXIAHCUQD-LALPHHSUSA-N 1 0 376.266 2.278 20 0 GEADRO CCOc1cc(CN(CCOC)[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1OC ZINC000290607494 532884861 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COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000421849706 532890869 /nfs/dbraw/zinc/89/08/69/532890869.db2.gz CJGWIXQAZSKLQP-GXTWGEPZSA-N 1 0 375.922 2.270 20 0 GEADRO COCC[N@@H+]1CC[C@H](NCc2c(Br)cncc2Br)C1 ZINC000290867690 532890887 /nfs/dbraw/zinc/89/08/87/532890887.db2.gz KZRRZKLZVYLPHH-JTQLQIEISA-N 1 0 393.123 2.417 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)ncc1Br ZINC000290846968 532891002 /nfs/dbraw/zinc/89/10/02/532891002.db2.gz YLPBSNRZWQMPHP-JTQLQIEISA-N 1 0 390.709 2.415 20 0 GEADRO O=C(Nc1cccc(Cl)c1F)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000360847163 532891108 /nfs/dbraw/zinc/89/11/08/532891108.db2.gz AORBSIKOFZLCJH-GFCCVEGCSA-N 1 0 389.880 2.252 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1O ZINC000361054093 532891679 /nfs/dbraw/zinc/89/16/79/532891679.db2.gz SZLVMDHJSWXIPH-LSDHHAIUSA-N 1 0 385.302 2.194 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000276227247 532891883 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C[NH2+]CCCN(C)C(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000423098061 532894058 /nfs/dbraw/zinc/89/40/58/532894058.db2.gz JWMUGIZFEBIYML-UHFFFAOYSA-N 1 0 384.318 2.254 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000424027104 532894591 /nfs/dbraw/zinc/89/45/91/532894591.db2.gz XZFKKJZFMHUMSO-XNRPHZJLSA-N 1 0 381.929 2.298 20 0 GEADRO C[C@@H]1CCN(C(=O)c2ccc(I)c(F)c2)C[C@@H]1C[NH3+] ZINC000424022653 532894652 /nfs/dbraw/zinc/89/46/52/532894652.db2.gz VDMUGBSFOPNWBY-KOLCDFICSA-N 1 0 376.213 2.487 20 0 GEADRO C[C@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000424018694 532894695 /nfs/dbraw/zinc/89/46/95/532894695.db2.gz QNOQIFIRKQBANH-STQMWFEESA-N 1 0 397.317 2.404 20 0 GEADRO C[C@@H]1CCN(C(=O)c2cc(F)ccc2I)C[C@H]1C[NH3+] ZINC000424019129 532894697 /nfs/dbraw/zinc/89/46/97/532894697.db2.gz RDLKPDIBNQFTIX-NXEZZACHSA-N 1 0 376.213 2.487 20 0 GEADRO C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000424027082 532894761 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390.908 2.492 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363946082 532902054 /nfs/dbraw/zinc/90/20/54/532902054.db2.gz RYGDUCQTAVWCQQ-QWHCGFSZSA-N 1 0 396.285 2.139 20 0 GEADRO CC(C)(CNC(=O)c1cnn2cc(Br)cnc12)C[NH+]1CCCC1 ZINC000276837278 532902046 /nfs/dbraw/zinc/90/20/46/532902046.db2.gz IWLZJFGVIHTFCC-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(Cl)c1 ZINC000363939932 532902255 /nfs/dbraw/zinc/90/22/55/532902255.db2.gz PRVYIPSHXRRWLB-MRXNPFEDSA-N 1 0 385.961 2.437 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000364029483 532902586 /nfs/dbraw/zinc/90/25/86/532902586.db2.gz BGMXREIXFZOUEU-OAHLLOKOSA-N 1 0 398.276 2.143 20 0 GEADRO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCc1cccc(Br)c1 ZINC000291338642 532900761 /nfs/dbraw/zinc/90/07/61/532900761.db2.gz WOMPNJNZKZWRKY-UKRRQHHQSA-N 1 0 396.329 2.036 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000291483215 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GEADRO CC[NH+]1CCC(NC(=O)NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000277005225 532905709 /nfs/dbraw/zinc/90/57/09/532905709.db2.gz KNCXLVCVRQVLNQ-AWEZNQCLSA-N 1 0 398.345 2.384 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000277014673 532905981 /nfs/dbraw/zinc/90/59/81/532905981.db2.gz LWUCNRFKIBSXAA-UHFFFAOYSA-N 1 0 387.933 2.416 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000277017219 532906259 /nfs/dbraw/zinc/90/62/59/532906259.db2.gz CFMZRGPFSNOZMN-UHFFFAOYSA-N 1 0 379.258 2.004 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)ccc1Br ZINC000364453153 532906724 /nfs/dbraw/zinc/90/67/24/532906724.db2.gz BAXDHHSJKYANHB-OAHLLOKOSA-N 1 0 380.286 2.060 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000291850912 532909664 /nfs/dbraw/zinc/90/96/64/532909664.db2.gz TYQCKHUTLSMEAT-GFCCVEGCSA-N 1 0 397.317 2.280 20 0 GEADRO O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365354386 532909950 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Cc1cnc(Br)c(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000292010934 532911612 /nfs/dbraw/zinc/91/16/12/532911612.db2.gz IQCMTDWVKNVWIP-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291996228 532911840 /nfs/dbraw/zinc/91/18/40/532911840.db2.gz KVYZSQJKIHPHPK-HNNXBMFYSA-N 1 0 389.315 2.174 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000292360421 532915543 /nfs/dbraw/zinc/91/55/43/532915543.db2.gz OTYOKBTWXYKFCW-UHFFFAOYSA-N 1 0 399.285 2.076 20 0 GEADRO CN(C)[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccco1 ZINC000366267125 532915724 /nfs/dbraw/zinc/91/57/24/532915724.db2.gz ONRDNHZZEHVWBN-HNNXBMFYSA-N 1 0 383.539 2.387 20 0 GEADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccsc3)[C@H](C)C2)s1 ZINC000366264886 532915777 /nfs/dbraw/zinc/91/57/77/532915777.db2.gz DESOHAUMYNKAPW-ABAIWWIYSA-N 1 0 378.523 2.478 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3cccc(I)c3)C2)C1 ZINC000292088671 532912945 /nfs/dbraw/zinc/91/29/45/532912945.db2.gz DBDXVUCEVHRANL-MRXNPFEDSA-N 1 0 384.261 2.388 20 0 GEADRO C[NH+]1CCC(NC(=O)Cc2cc[nH]c(=O)c2Br)(C(F)(F)F)CC1 ZINC000365975802 532913752 /nfs/dbraw/zinc/91/37/52/532913752.db2.gz MNDKQJQKBLOTDA-UHFFFAOYSA-N 1 0 396.207 2.235 20 0 GEADRO Cn1cc(N2CCC[C@@H]([NH2+][C@@H](CO)c3ccc(Br)cc3)C2=O)cn1 ZINC000292206672 532913932 /nfs/dbraw/zinc/91/39/32/532913932.db2.gz OCYGLYFTZUQGQO-CVEARBPZSA-N 1 0 393.285 2.001 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1c1ccc(Cl)cc1 ZINC000292422269 532916320 /nfs/dbraw/zinc/91/63/20/532916320.db2.gz MYEWPQYZRHLORV-RRQGHBQHSA-N 1 0 385.913 2.353 20 0 GEADRO O=C1NC(=O)[C@H]2C[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)CC[C@@H]12 ZINC000366358710 532916605 /nfs/dbraw/zinc/91/66/05/532916605.db2.gz SWDTXPYMHAPQQR-KGLIPLIRSA-N 1 0 390.237 2.199 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(s2)CCS(=O)(=O)C3)C1 ZINC000366578800 532919077 /nfs/dbraw/zinc/91/90/77/532919077.db2.gz CXYNOVLIZABZBZ-AWEZNQCLSA-N 1 0 384.567 2.317 20 0 GEADRO O=c1c(Br)c(NC2CC[NH+](C3CC3)CC2)cnn1-c1ccccn1 ZINC000292703855 532917720 /nfs/dbraw/zinc/91/77/20/532917720.db2.gz GWTQQGBNEWTALZ-UHFFFAOYSA-N 1 0 390.285 2.429 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366497497 532918154 /nfs/dbraw/zinc/91/81/54/532918154.db2.gz ZMODYPOOXKEPAF-DOMZBBRYSA-N 1 0 386.901 2.279 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc1Br ZINC000293097710 532921815 /nfs/dbraw/zinc/92/18/15/532921815.db2.gz FPJGILMFWGXQNU-LLVKDONJSA-N 1 0 386.290 2.100 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000366934043 532922210 /nfs/dbraw/zinc/92/22/10/532922210.db2.gz NPPKAALJJCWSQG-JJMVLAAESA-N 1 0 380.286 2.423 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)C[NH+](C)C ZINC000293109748 532922243 /nfs/dbraw/zinc/92/22/43/532922243.db2.gz GWBUEBGEOZNYDX-QMMMGPOBSA-N 1 0 394.672 2.494 20 0 GEADRO O=C(Nc1ccc(Cl)c(F)c1)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000366595976 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Cc1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)ncc1Br ZINC000293695152 532930441 /nfs/dbraw/zinc/93/04/41/532930441.db2.gz MBQONLPMXGQCGU-UHFFFAOYSA-N 1 0 397.317 2.473 20 0 GEADRO C[N@@H+]1CCCC12CCN(C(=O)c1ccncc1I)CC2 ZINC000368206009 532930531 /nfs/dbraw/zinc/93/05/31/532930531.db2.gz ZFMKZYMXXGVNPO-UHFFFAOYSA-N 1 0 385.249 2.387 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368194575 532930779 /nfs/dbraw/zinc/93/07/79/532930779.db2.gz RFJAXZONKSGLMY-BGTMTDRBSA-N 1 0 393.281 2.492 20 0 GEADRO O=S1(=O)CCC([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000368279404 532931227 /nfs/dbraw/zinc/93/12/27/532931227.db2.gz AFMHIZWLJICTMF-ZDUSSCGKSA-N 1 0 387.343 2.442 20 0 GEADRO C[NH+]1CCC(N2CC[C@H](NCc3c(Cl)cccc3S(C)(=O)=O)C2)CC1 ZINC000368282440 532931241 /nfs/dbraw/zinc/93/12/41/532931241.db2.gz FZPZVKGFGWPXJV-AWEZNQCLSA-N 1 0 385.961 2.002 20 0 GEADRO CCO[C@@H]1C[C@H](N[C@H](C(N)=O)c2ccc(Br)cc2)[C@]12CCCO2 ZINC000368285917 532931295 /nfs/dbraw/zinc/93/12/95/532931295.db2.gz 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C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000368781303 532934381 /nfs/dbraw/zinc/93/43/81/532934381.db2.gz BZBMDWPLGZACCE-SWLSCSKDSA-N 1 0 395.301 2.266 20 0 GEADRO CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000294178671 532936549 /nfs/dbraw/zinc/93/65/49/532936549.db2.gz JYFDLTOIVOMSEW-SECBINFHSA-N 1 0 382.711 2.212 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000294176824 532936574 /nfs/dbraw/zinc/93/65/74/532936574.db2.gz WQTGQULOXOLNMZ-HOCLYGCPSA-N 1 0 393.958 2.449 20 0 GEADRO O=C(NCCc1ccc(Br)s1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369025441 532936581 /nfs/dbraw/zinc/93/65/81/532936581.db2.gz DNAGOMRFQIEUSH-VXGBXAGGSA-N 1 0 388.331 2.216 20 0 GEADRO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)c1cccc(Br)c1F)C2 ZINC000369078177 532936779 /nfs/dbraw/zinc/93/67/79/532936779.db2.gz OBCXLDGOAKIKJH-OCCSQVGLSA-N 1 0 377.279 2.480 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000294266459 532937266 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CC[N@H+](CCNC(=O)c1cccnc1-n1cc(Br)cn1)C1CC1 ZINC000294402950 532938607 /nfs/dbraw/zinc/93/86/07/532938607.db2.gz ADWAMMHKPJKLMJ-UHFFFAOYSA-N 1 0 378.274 2.244 20 0 GEADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000294398004 532938694 /nfs/dbraw/zinc/93/86/94/532938694.db2.gz NCRCQCGBQVGMSK-UHFFFAOYSA-N 1 0 382.711 2.212 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccnc1-n1cc(Br)cn1 ZINC000294410693 532939108 /nfs/dbraw/zinc/93/91/08/532939108.db2.gz IZBQNWVEQWPZHT-HUUCEWRRSA-N 1 0 390.285 2.386 20 0 GEADRO O=C(c1cc(I)c(F)cc1F)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000370158267 532942456 /nfs/dbraw/zinc/94/24/56/532942456.db2.gz DUONJKNPLOKJCW-OQPBUACISA-N 1 0 392.187 2.393 20 0 GEADRO COCCC[N@@H+]1CCCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000370169391 532942560 /nfs/dbraw/zinc/94/25/60/532942560.db2.gz OYPQSNLOKLCKAZ-UHFFFAOYSA-N 1 0 376.469 2.227 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3nccn3C2)c(Cl)cc1Cl ZINC000370337237 532942912 /nfs/dbraw/zinc/94/29/12/532942912.db2.gz 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COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000371310515 532947525 /nfs/dbraw/zinc/94/75/25/532947525.db2.gz LOSWNWAOMQEYDY-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c(Cl)c1 ZINC000371310246 532947605 /nfs/dbraw/zinc/94/76/05/532947605.db2.gz IFTQTBMTPMSCSO-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO C[C@H]1CN(C(=O)c2ccc(Br)cc2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371362861 532947642 /nfs/dbraw/zinc/94/76/42/532947642.db2.gz YJQYNQKCYWZFAQ-BBRMVZONSA-N 1 0 396.329 2.253 20 0 GEADRO CS[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C[C@@H]1[NH+](C)C ZINC000371350089 532947747 /nfs/dbraw/zinc/94/77/47/532947747.db2.gz PMGSMZUXLPFGOU-GOEBONIOSA-N 1 0 381.567 2.104 20 0 GEADRO CS[C@H]1CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C[C@@H]1[NH+](C)C ZINC000371350090 532947757 /nfs/dbraw/zinc/94/77/57/532947757.db2.gz PMGSMZUXLPFGOU-HOCLYGCPSA-N 1 0 381.567 2.104 20 0 GEADRO C[NH+]1CCN(C[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3Cl)C2)CC1 ZINC000371422941 532947931 /nfs/dbraw/zinc/94/79/31/532947931.db2.gz AOVHVBMKWJVWLS-AWEZNQCLSA-N 1 0 389.924 2.127 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000371411961 532947945 /nfs/dbraw/zinc/94/79/45/532947945.db2.gz QZAHGGOTYCGNGJ-MRXNPFEDSA-N 1 0 392.297 2.054 20 0 GEADRO CN1CC[NH+](C[C@H]2CCCN(C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000371421922 532947970 /nfs/dbraw/zinc/94/79/70/532947970.db2.gz BOAHULIEIXOFHH-VQIMIIECSA-N 1 0 396.373 2.442 20 0 GEADRO Cn1nc(-c2ccccc2)c(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1Cl ZINC000371421211 532948038 /nfs/dbraw/zinc/94/80/38/532948038.db2.gz OIYCRNZBUNXRJF-ZDUSSCGKSA-N 1 0 382.917 2.241 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000371456075 532948175 /nfs/dbraw/zinc/94/81/75/532948175.db2.gz FEMUYJJYRAGYCE-UKRRQHHQSA-N 1 0 381.318 2.271 20 0 GEADRO C[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc(F)c(Br)c1 ZINC000371436995 532948225 /nfs/dbraw/zinc/94/82/25/532948225.db2.gz DEMGCXUNJIUOPA-JTQLQIEISA-N 1 0 383.269 2.431 20 0 GEADRO CCC[N@@H+]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000371495591 532948371 /nfs/dbraw/zinc/94/83/71/532948371.db2.gz RKCPUDWIXGVRGW-UHFFFAOYSA-N 1 0 385.555 2.091 20 0 GEADRO Cn1nnnc1N1CCC([NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000371508460 532948411 /nfs/dbraw/zinc/94/84/11/532948411.db2.gz JOHCHSVXVDVTKF-UHFFFAOYSA-N 1 0 385.697 2.385 20 0 GEADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000371531279 532948483 /nfs/dbraw/zinc/94/84/83/532948483.db2.gz ZHRWRWRHPXIIRD-IAGOWNOFSA-N 1 0 388.599 2.021 20 0 GEADRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000371543411 532948675 /nfs/dbraw/zinc/94/86/75/532948675.db2.gz BJZDQQYUWZGZKH-UHFFFAOYSA-N 1 0 398.301 2.124 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1C[C@@H]1c1nnc[nH]1 ZINC000371580396 532948752 /nfs/dbraw/zinc/94/87/52/532948752.db2.gz CYIYWNOWLADPLG-GJZGRUSLSA-N 1 0 392.301 2.261 20 0 GEADRO Cn1cc([C@H]2[C@@H](CNS(=O)(=O)c3ccccc3Cl)CCCN2C)cn1 ZINC000371738583 532949495 /nfs/dbraw/zinc/94/94/95/532949495.db2.gz FGQHXJFEHNQEPU-CXAGYDPISA-N 1 0 382.917 2.435 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cn(-c4ccccc4Cl)nn3)CC2)C1 ZINC000333222475 570744752 /nfs/dbraw/zinc/74/47/52/570744752.db2.gz AGVIBXUAHDQVEQ-KBXCAEBGSA-N 1 0 389.887 2.279 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736292037 598834387 /nfs/dbraw/zinc/83/43/87/598834387.db2.gz HKXXDQIZMAFBNW-JSGCOSHPSA-N 1 0 389.891 2.017 20 0 GEADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000737896484 598850514 /nfs/dbraw/zinc/85/05/14/598850514.db2.gz YSLZHAZOUFYXQX-UHFFFAOYSA-N 1 0 391.479 2.408 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000738383546 598888076 /nfs/dbraw/zinc/88/80/76/598888076.db2.gz VRNFAUZVSFYIHI-OAHLLOKOSA-N 1 0 387.827 2.115 20 0 GEADRO CCCC[N@H+](C)CC1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736453899 598898517 /nfs/dbraw/zinc/89/85/17/598898517.db2.gz SAKJBQCVQRKGDJ-UHFFFAOYSA-N 1 0 391.545 2.311 20 0 GEADRO Cc1ncsc1CC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737502627 598899816 /nfs/dbraw/zinc/89/98/16/598899816.db2.gz GIVUFVUHEFVQCL-UHFFFAOYSA-N 1 0 383.525 2.382 20 0 GEADRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](Nc3nccnc3-c3nn[nH]n3)C2)cc1 ZINC000737636533 598914676 /nfs/dbraw/zinc/91/46/76/598914676.db2.gz VQNNPBRXBSDBNO-CYBMUJFWSA-N 1 0 390.373 2.362 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736755626 598932804 /nfs/dbraw/zinc/93/28/04/598932804.db2.gz BTWYMKRYBCZDGT-QGZVFWFLSA-N 1 0 392.463 2.222 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(COc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736848454 598932911 /nfs/dbraw/zinc/93/29/11/598932911.db2.gz MQSWQVXWYJVVBJ-MRXNPFEDSA-N 1 0 392.463 2.127 20 0 GEADRO CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCOC1 ZINC000736535050 598945439 /nfs/dbraw/zinc/94/54/39/598945439.db2.gz PYFRGLODYQHEKV-GFCCVEGCSA-N 1 0 378.864 2.207 20 0 GEADRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736612233 598994421 /nfs/dbraw/zinc/99/44/21/598994421.db2.gz MJKOWHVIYNTPCG-MSOLQXFVSA-N 1 0 398.511 2.153 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C[C@H]1C ZINC000736565743 599007794 /nfs/dbraw/zinc/00/77/94/599007794.db2.gz PLUREDHMXXLTCX-NEPJUHHUSA-N 1 0 398.920 2.013 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736849407 599024051 /nfs/dbraw/zinc/02/40/51/599024051.db2.gz TXFDARAIZWMVKK-INIZCTEOSA-N 1 0 392.463 2.127 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736856051 599029616 /nfs/dbraw/zinc/02/96/16/599029616.db2.gz KQBAFODPNYDOOT-SFHVURJKSA-N 1 0 392.463 2.270 20 0 GEADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000736133238 599052291 /nfs/dbraw/zinc/05/22/91/599052291.db2.gz GQDQETLWENJEEX-JXFKEZNVSA-N 1 0 378.480 2.246 20 0 GEADRO O[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1c(F)cccc1Cl ZINC000738382634 599053519 /nfs/dbraw/zinc/05/35/19/599053519.db2.gz MPXCGUXNQVWEDX-CQSZACIVSA-N 1 0 387.806 2.130 20 0 GEADRO Cc1nc([C@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000737473621 599072978 /nfs/dbraw/zinc/07/29/78/599072978.db2.gz FBQGSFYQKATMHU-HOTGVXAUSA-N 1 0 397.508 2.346 20 0 GEADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736802959 599077774 /nfs/dbraw/zinc/07/77/74/599077774.db2.gz ZWUZKIUARBDDMU-IBGZPJMESA-N 1 0 392.463 2.373 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000736242194 599082124 /nfs/dbraw/zinc/08/21/24/599082124.db2.gz QEXXPXRRWMJWOF-WUJZJPHMSA-N 1 0 397.527 2.390 20 0 GEADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000736802033 599083081 /nfs/dbraw/zinc/08/30/81/599083081.db2.gz OJHRSDILRFLSJM-LJQANCHMSA-N 1 0 392.463 2.373 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)[C@H]1c1cccs1 ZINC000736856737 599084800 /nfs/dbraw/zinc/08/48/00/599084800.db2.gz MNOPVDHJBMHJKX-LRDDRELGSA-N 1 0 383.481 2.136 20 0 GEADRO NC(=O)[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730249 599097985 /nfs/dbraw/zinc/09/79/85/599097985.db2.gz INQURWDQZWJDFI-INIZCTEOSA-N 1 0 382.855 2.368 20 0 GEADRO CN(C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000736856724 599104633 /nfs/dbraw/zinc/10/46/33/599104633.db2.gz MLPVUSSKVWKQRE-MRXNPFEDSA-N 1 0 396.451 2.205 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000737410398 599122583 /nfs/dbraw/zinc/12/25/83/599122583.db2.gz SMLAMODONNCDQV-HUUCEWRRSA-N 1 0 381.484 2.056 20 0 GEADRO Cc1ccccc1[C@H](O)C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737421359 599131056 /nfs/dbraw/zinc/13/10/56/599131056.db2.gz MMXFZCWFQLBBFY-HXUWFJFHSA-N 1 0 378.480 2.026 20 0 GEADRO C[C@@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)[C@@H]1C ZINC000736264052 599137615 /nfs/dbraw/zinc/13/76/15/599137615.db2.gz BFIPMSWGMQMISH-ZIAGYGMSSA-N 1 0 380.456 2.111 20 0 GEADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000823234812 599165290 /nfs/dbraw/zinc/16/52/90/599165290.db2.gz OIYPKJXAOSKUNB-SFHVURJKSA-N 1 0 380.427 2.287 20 0 GEADRO COCC[C@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736976860 599176859 /nfs/dbraw/zinc/17/68/59/599176859.db2.gz QZTXDNZZNXJREC-NRFANRHFSA-N 1 0 397.479 2.323 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc(C(C)(C)C)on1 ZINC000736767564 599184690 /nfs/dbraw/zinc/18/46/90/599184690.db2.gz QYMNXQYBYUQKAD-UHFFFAOYSA-N 1 0 397.483 2.356 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821182499 599204232 /nfs/dbraw/zinc/20/42/32/599204232.db2.gz VLFZXBZCBMDQOT-INIZCTEOSA-N 1 0 388.541 2.290 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C1 ZINC000821181635 599204756 /nfs/dbraw/zinc/20/47/56/599204756.db2.gz NSNVYAQHLSCOFA-OAHLLOKOSA-N 1 0 397.483 2.363 20 0 GEADRO COc1cc(C[N@@H+]2CC[C@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737044690 599208690 /nfs/dbraw/zinc/20/86/90/599208690.db2.gz CMYYDZQCVZVWQL-KRWDZBQOSA-N 1 0 381.436 2.021 20 0 GEADRO O=C(C[N@@H+](CCc1ccc(F)cc1)C1CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737865294 599217458 /nfs/dbraw/zinc/21/74/58/599217458.db2.gz PHJGVBURRGQTHI-UHFFFAOYSA-N 1 0 394.454 2.329 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736295381 599230377 /nfs/dbraw/zinc/23/03/77/599230377.db2.gz USZHZPHTPXYOFW-MAUKXSAKSA-N 1 0 378.484 2.246 20 0 GEADRO c1cn(CN2CC[C@H](C[NH+]3CCCCC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738406471 599252728 /nfs/dbraw/zinc/25/27/28/599252728.db2.gz UPJJJTPYTHUSPB-QGZVFWFLSA-N 1 0 392.511 2.496 20 0 GEADRO CCC(CC)[C@H](CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC)[NH+](C)C ZINC000820892962 599271067 /nfs/dbraw/zinc/27/10/67/599271067.db2.gz HWHMRGCQVVVICT-HNNXBMFYSA-N 1 0 375.477 2.363 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC[N@@H+]1C ZINC000820658846 599276243 /nfs/dbraw/zinc/27/62/43/599276243.db2.gz VBJGJZKRXMBDKT-KOLCDFICSA-N 1 0 381.387 2.072 20 0 GEADRO CCC[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000821110221 599276971 /nfs/dbraw/zinc/27/69/71/599276971.db2.gz YFIWGIXEVNBJAL-UHFFFAOYSA-N 1 0 395.414 2.464 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000821586277 607329424 /nfs/dbraw/zinc/32/94/24/607329424.db2.gz QVJXCROSPMDKCC-UHFFFAOYSA-N 1 0 392.389 2.244 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNc2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)CC1 ZINC000821266466 607346325 /nfs/dbraw/zinc/34/63/25/607346325.db2.gz DHPRBGBYTPJFPS-GFCCVEGCSA-N 1 0 383.422 2.323 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC000821345105 598203795 /nfs/dbraw/zinc/20/37/95/598203795.db2.gz JSPUNGJTVWFKHZ-FQEVSTJZSA-N 1 0 381.476 2.372 20 0 GEADRO C[N@H+](CC1CCCCC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736793895 598233679 /nfs/dbraw/zinc/23/36/79/598233679.db2.gz NXNJHBBVAYEGBG-HXUWFJFHSA-N 1 0 397.483 2.103 20 0 GEADRO C[C@@H](O)C[N@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C1CCCCC1 ZINC000736143424 598245632 /nfs/dbraw/zinc/24/56/32/598245632.db2.gz IWBUNUXDBSBCBL-GFCCVEGCSA-N 1 0 392.891 2.474 20 0 GEADRO CC[N@H+](Cc1ccc(OCC(N)=O)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736558441 598249243 /nfs/dbraw/zinc/24/92/43/598249243.db2.gz KJEVKLDDEIGQDJ-AWEZNQCLSA-N 1 0 380.452 2.314 20 0 GEADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000735660297 598278844 /nfs/dbraw/zinc/27/88/44/598278844.db2.gz LIUSOGQZWDJSGC-UHFFFAOYSA-N 1 0 386.504 2.419 20 0 GEADRO C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000736267140 598317524 /nfs/dbraw/zinc/31/75/24/598317524.db2.gz MBLZQGDKYZJSRQ-OLZOCXBDSA-N 1 0 375.452 2.068 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000736267884 598318300 /nfs/dbraw/zinc/31/83/00/598318300.db2.gz UTNOUOBIRRQKQA-CQSZACIVSA-N 1 0 389.479 2.317 20 0 GEADRO CC(C)C[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000735795166 598334029 /nfs/dbraw/zinc/33/40/29/598334029.db2.gz MBGIWEFEDXUOJV-MRXNPFEDSA-N 1 0 397.483 2.099 20 0 GEADRO CCC(CC)C[N@H+](CC)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736338236 598334778 /nfs/dbraw/zinc/33/47/78/598334778.db2.gz QUZOATVBFZOCCK-UHFFFAOYSA-N 1 0 399.499 2.347 20 0 GEADRO C[C@H]1CN([C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c2cccs2)CCO1 ZINC000736290103 598349047 /nfs/dbraw/zinc/34/90/47/598349047.db2.gz GUZNTZCKNLOVES-YOEHRIQHSA-N 1 0 384.509 2.480 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736859057 598354376 /nfs/dbraw/zinc/35/43/76/598354376.db2.gz CTSANCXFKODLKO-HOTGVXAUSA-N 1 0 389.891 2.017 20 0 GEADRO C[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736291939 598365942 /nfs/dbraw/zinc/36/59/42/598365942.db2.gz ZXSIZXGMYHUDAK-UZLBHIALSA-N 1 0 378.480 2.106 20 0 GEADRO Cc1nc(CN2CCC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)oc1C ZINC000737476087 598367556 /nfs/dbraw/zinc/36/75/56/598367556.db2.gz AVRNPVNTUMUJLP-UHFFFAOYSA-N 1 0 397.483 2.058 20 0 GEADRO Cc1cccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737391634 598368376 /nfs/dbraw/zinc/36/83/76/598368376.db2.gz HAQMYVFBTXFABX-UHFFFAOYSA-N 1 0 378.480 2.308 20 0 GEADRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737075151 598372741 /nfs/dbraw/zinc/37/27/41/598372741.db2.gz KZUTUJSOMBTNFF-HOCLYGCPSA-N 1 0 383.452 2.274 20 0 GEADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C[C@H]1CCCO1 ZINC000736793277 598374037 /nfs/dbraw/zinc/37/40/37/598374037.db2.gz VZQAMRSDLMXZJM-GFCCVEGCSA-N 1 0 390.513 2.246 20 0 GEADRO CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)Nc1cccc(-c3nn[nH]n3)c1)C2 ZINC000735940647 598374530 /nfs/dbraw/zinc/37/45/30/598374530.db2.gz SXVDDUWCKRNLNL-UHFFFAOYSA-N 1 0 394.483 2.111 20 0 GEADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736769361 598383284 /nfs/dbraw/zinc/38/32/84/598383284.db2.gz PWUAVNVDTUMCDC-UHFFFAOYSA-N 1 0 397.458 2.008 20 0 GEADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736109902 598430963 /nfs/dbraw/zinc/43/09/63/598430963.db2.gz BXMUOMATPWVELA-HNNXBMFYSA-N 1 0 394.483 2.096 20 0 GEADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738044163 598450182 /nfs/dbraw/zinc/45/01/82/598450182.db2.gz HONASUJKDKDWDC-QGZVFWFLSA-N 1 0 377.452 2.046 20 0 GEADRO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000737932101 598468157 /nfs/dbraw/zinc/46/81/57/598468157.db2.gz JEJDFEAHBGLUPU-KRWDZBQOSA-N 1 0 386.525 2.187 20 0 GEADRO CN(CC[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000736791277 598470055 /nfs/dbraw/zinc/47/00/55/598470055.db2.gz CZLNAASVNOIYRD-UHFFFAOYSA-N 1 0 379.468 2.264 20 0 GEADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cn2)C[C@H](C)O1 ZINC000736291416 598492842 /nfs/dbraw/zinc/49/28/42/598492842.db2.gz WYPKSIITCBZZRK-GASCZTMLSA-N 1 0 379.468 2.165 20 0 GEADRO Clc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(Cl)c1 ZINC000737575483 598517584 /nfs/dbraw/zinc/51/75/84/598517584.db2.gz KTCKGHQXUJUNJY-JTQLQIEISA-N 1 0 393.282 2.244 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(OC(F)F)cc1 ZINC000736136430 598520074 /nfs/dbraw/zinc/52/00/74/598520074.db2.gz RUCDXWHQLBGZLF-WDEREUQCSA-N 1 0 390.398 2.057 20 0 GEADRO O=C(CCN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1sccc1-c1nn[nH]n1 ZINC000737843147 598524915 /nfs/dbraw/zinc/52/49/15/598524915.db2.gz HYRZAFYUCLCTOI-CQSZACIVSA-N 1 0 389.529 2.207 20 0 GEADRO CC(C)(C)OCc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735639178 598528518 /nfs/dbraw/zinc/52/85/18/598528518.db2.gz DCGGQXUABZLEFT-MRXNPFEDSA-N 1 0 396.499 2.210 20 0 GEADRO Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1C ZINC000737263228 598530721 /nfs/dbraw/zinc/53/07/21/598530721.db2.gz FUNWSYDIDMYDAC-CQSZACIVSA-N 1 0 391.483 2.301 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000735857250 598555608 /nfs/dbraw/zinc/55/56/08/598555608.db2.gz QIHANEVFGNZCBC-UHFFFAOYSA-N 1 0 384.440 2.109 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736573250 598556097 /nfs/dbraw/zinc/55/60/97/598556097.db2.gz YOEAHLNRNHBCDC-HNNXBMFYSA-N 1 0 396.451 2.253 20 0 GEADRO O=C(NCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000738074622 598560852 /nfs/dbraw/zinc/56/08/52/598560852.db2.gz KNQSKHUXSDMRFS-UHFFFAOYSA-N 1 0 392.463 2.062 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000736170219 598569052 /nfs/dbraw/zinc/56/90/52/598569052.db2.gz OUIHFZZKLYCYTN-WMLDXEAASA-N 1 0 392.463 2.154 20 0 GEADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736763526 598569576 /nfs/dbraw/zinc/56/95/76/598569576.db2.gz LYVHAIYGMWEPHS-GOSISDBHSA-N 1 0 376.464 2.319 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)nc2)C1 ZINC000736756487 598623102 /nfs/dbraw/zinc/62/31/02/598623102.db2.gz JOHAONGDOXSMDQ-HNNXBMFYSA-N 1 0 394.439 2.222 20 0 GEADRO C[NH+]1CCN(c2ccc(CNc3ccc(-c4nn[nH]n4)c(Cl)c3)cn2)CC1 ZINC000736868582 598637262 /nfs/dbraw/zinc/63/72/62/598637262.db2.gz ULFJFIJTRSXTBS-UHFFFAOYSA-N 1 0 384.875 2.279 20 0 GEADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737840674 598647165 /nfs/dbraw/zinc/64/71/65/598647165.db2.gz CMYWPFAETRIFQP-UHFFFAOYSA-N 1 0 397.508 2.469 20 0 GEADRO C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736184736 598666280 /nfs/dbraw/zinc/66/62/80/598666280.db2.gz MXUGWIXVXSOPTA-HZPDHXFCSA-N 1 0 394.479 2.271 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N(C)CC[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000737188621 598670177 /nfs/dbraw/zinc/67/01/77/598670177.db2.gz CSTZVDHQHBSSAA-UHFFFAOYSA-N 1 0 387.513 2.029 20 0 GEADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737393001 598670420 /nfs/dbraw/zinc/67/04/20/598670420.db2.gz DULSYLDUUYOZHK-UHFFFAOYSA-N 1 0 378.480 2.308 20 0 GEADRO FC(F)Oc1ccc2ncc(-c3nn[nH]n3)c(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000737639320 598674258 /nfs/dbraw/zinc/67/42/58/598674258.db2.gz QYDYGPMGHHJEMD-NSHDSACASA-N 1 0 387.394 2.301 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736752825 598681252 /nfs/dbraw/zinc/68/12/52/598681252.db2.gz DBTWAROHAUDWOY-UHFFFAOYSA-N 1 0 381.440 2.124 20 0 GEADRO O=C(CC[C@H]1CCCCO1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737824314 598681687 /nfs/dbraw/zinc/68/16/87/598681687.db2.gz PLUBRVBAXPGZBU-LJQANCHMSA-N 1 0 398.511 2.250 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736403147 598694610 /nfs/dbraw/zinc/69/46/10/598694610.db2.gz SKGDXWHPBVVFBY-OAHLLOKOSA-N 1 0 386.500 2.262 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736861105 598700699 /nfs/dbraw/zinc/70/06/99/598700699.db2.gz YNXNXVDPBUTMOS-MRXNPFEDSA-N 1 0 378.436 2.483 20 0 GEADRO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000738301539 598707218 /nfs/dbraw/zinc/70/72/18/598707218.db2.gz CALRMWKVTFKKQV-INIZCTEOSA-N 1 0 379.468 2.096 20 0 GEADRO Cc1nc(CN2CCC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)oc1C ZINC000737478901 598714798 /nfs/dbraw/zinc/71/47/98/598714798.db2.gz VAKHIOCWMAUQQJ-UHFFFAOYSA-N 1 0 381.484 2.473 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736860802 598756019 /nfs/dbraw/zinc/75/60/19/598756019.db2.gz WNKQLDUEPWRKOO-OALUTQOASA-N 1 0 378.484 2.246 20 0 GEADRO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737844401 598761778 /nfs/dbraw/zinc/76/17/78/598761778.db2.gz SZWPJYUTUXIJNG-JKSUJKDBSA-N 1 0 390.875 2.492 20 0 GEADRO CC1(C)C[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736212387 598779211 /nfs/dbraw/zinc/77/92/11/598779211.db2.gz XFJHUAISPONRHH-QGZVFWFLSA-N 1 0 383.500 2.130 20 0 GEADRO C[C@](O)(C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000736144519 598786688 /nfs/dbraw/zinc/78/66/88/598786688.db2.gz ZNMDWJFIDODVFE-NRFANRHFSA-N 1 0 378.480 2.333 20 0 GEADRO C[N@H+](CCN1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1)Cc1ccccc1 ZINC000736798802 598797436 /nfs/dbraw/zinc/79/74/36/598797436.db2.gz HHGIZJJTJSXANP-UHFFFAOYSA-N 1 0 395.486 2.260 20 0 GEADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736127508 598807184 /nfs/dbraw/zinc/80/71/84/598807184.db2.gz RENXGGVRSCDPBZ-OAHLLOKOSA-N 1 0 394.479 2.491 20 0 GEADRO CC(C)[NH2+]C1CCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735888953 598811408 /nfs/dbraw/zinc/81/14/08/598811408.db2.gz SVOMBSDCPOTRDG-GFCCVEGCSA-N 1 0 391.907 2.310 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C=Cc1cncc(F)c1 ZINC000736767515 598817357 /nfs/dbraw/zinc/81/73/57/598817357.db2.gz QQOJNEWNZOPNHE-VMPITWQZSA-N 1 0 395.442 2.004 20 0 GEADRO CC[N@H+](CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[nH]n1)C1CC1 ZINC000736537104 598821251 /nfs/dbraw/zinc/82/12/51/598821251.db2.gz QTAIJXVMVKSNFK-UHFFFAOYSA-N 1 0 387.513 2.075 20 0 GEADRO COCC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000821689236 599302034 /nfs/dbraw/zinc/30/20/34/599302034.db2.gz QWNLZZXSKUACQB-UHFFFAOYSA-N 1 0 380.452 2.344 20 0 GEADRO CCc1nc(CN2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000736704329 599319527 /nfs/dbraw/zinc/31/95/27/599319527.db2.gz MOGSMCUYKIZOJJ-CJNGLKHVSA-N 1 0 382.472 2.127 20 0 GEADRO C[C@@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412181 599374507 /nfs/dbraw/zinc/37/45/07/599374507.db2.gz KSFZFZUTOKHUQD-DYESRHJHSA-N 1 0 392.507 2.461 20 0 GEADRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C(C)C ZINC000821683877 599381309 /nfs/dbraw/zinc/38/13/09/599381309.db2.gz MKTAEBYYZFDHSW-ZYHUDNBSSA-N 1 0 378.502 2.005 20 0 GEADRO CCCC[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cc(C)on1 ZINC000821042745 599382027 /nfs/dbraw/zinc/38/20/27/599382027.db2.gz HCRHDHXCJXOMJQ-INIZCTEOSA-N 1 0 399.455 2.329 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)Nc1ccccc1 ZINC000820413529 599389600 /nfs/dbraw/zinc/38/96/00/599389600.db2.gz RNHTZYLBYNDPAI-CHWSQXEVSA-N 1 0 379.424 2.254 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCc1ccc(F)cc1 ZINC000820413466 599389677 /nfs/dbraw/zinc/38/96/77/599389677.db2.gz QLCRZNDONIZCTA-ZIAGYGMSSA-N 1 0 382.443 2.404 20 0 GEADRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821898173 599390399 /nfs/dbraw/zinc/39/03/99/599390399.db2.gz NPDKKAWDJJDKBI-KBPBESRZSA-N 1 0 380.452 2.231 20 0 GEADRO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000822327526 599392613 /nfs/dbraw/zinc/39/26/13/599392613.db2.gz HWNUYVUGBQILLR-HOTGVXAUSA-N 1 0 394.479 2.409 20 0 GEADRO COc1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821804824 599396016 /nfs/dbraw/zinc/39/60/16/599396016.db2.gz PMBGRYRPXRTMEE-LJQANCHMSA-N 1 0 394.479 2.038 20 0 GEADRO COCc1nc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)cs1 ZINC000821696009 599396077 /nfs/dbraw/zinc/39/60/77/599396077.db2.gz RIXXKGVTQOIRMQ-UHFFFAOYSA-N 1 0 376.511 2.493 20 0 GEADRO C[C@H]1C[NH+](Cc2ccc(CNc3cccc(-c4nn[nH]n4)n3)cc2)C[C@H](C)O1 ZINC000736284759 599406009 /nfs/dbraw/zinc/40/60/09/599406009.db2.gz FQHOWKKANZBVLZ-GJZGRUSLSA-N 1 0 379.468 2.483 20 0 GEADRO c1ccc(CN2CC[NH+](CCCCNc3cccc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000738432558 599412679 /nfs/dbraw/zinc/41/26/79/599412679.db2.gz JCRICZOVCZTUQL-UHFFFAOYSA-N 1 0 392.511 2.272 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccccc2N2CCOCC2)cc1-c1nn[nH]n1 ZINC000821818252 599417271 /nfs/dbraw/zinc/41/72/71/599417271.db2.gz MCDZEQJSAAQZCI-UHFFFAOYSA-N 1 0 380.452 2.002 20 0 GEADRO COc1ccc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)cc1-c1nn[nH]n1 ZINC000821803641 599422442 /nfs/dbraw/zinc/42/24/42/599422442.db2.gz GOLCJULJAVVQGH-QGZVFWFLSA-N 1 0 378.440 2.405 20 0 GEADRO COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)C2)c1 ZINC000821872444 599426799 /nfs/dbraw/zinc/42/67/99/599426799.db2.gz MUQNBSPHTOXYBQ-HNNXBMFYSA-N 1 0 380.452 2.252 20 0 GEADRO Cc1cc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c2ccccc2n1 ZINC000737261240 599445749 /nfs/dbraw/zinc/44/57/49/599445749.db2.gz DDRIIKCUIBRAHE-UHFFFAOYSA-N 1 0 386.463 2.441 20 0 GEADRO COc1cc2c(c(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)c1)O[C@@H](C)C2 ZINC000821717275 599450703 /nfs/dbraw/zinc/45/07/03/599450703.db2.gz MZGBRKOHYDICGL-ZDUSSCGKSA-N 1 0 381.436 2.367 20 0 GEADRO CCC(CC)(C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000820887348 599463184 /nfs/dbraw/zinc/46/31/84/599463184.db2.gz AGQWHGZDCAKUCG-HNNXBMFYSA-N 1 0 380.500 2.453 20 0 GEADRO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735684713 599481657 /nfs/dbraw/zinc/48/16/57/599481657.db2.gz HXSGJDBWVBDWAO-UHFFFAOYSA-N 1 0 390.451 2.399 20 0 GEADRO CN(C)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(F)cc1 ZINC000736760174 599485175 /nfs/dbraw/zinc/48/51/75/599485175.db2.gz QEXHPKWJIXGFBB-KRWDZBQOSA-N 1 0 380.431 2.046 20 0 GEADRO COc1ccc(OCCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737110133 599486518 /nfs/dbraw/zinc/48/65/18/599486518.db2.gz SPUACFVCGRLOJV-UHFFFAOYSA-N 1 0 379.424 2.082 20 0 GEADRO CCN(CC)c1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cn1 ZINC000736532996 599486706 /nfs/dbraw/zinc/48/67/06/599486706.db2.gz XGLYRLUDNWTRKM-UHFFFAOYSA-N 1 0 377.456 2.045 20 0 GEADRO CSCC[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737180022 599507375 /nfs/dbraw/zinc/50/73/75/599507375.db2.gz AMMQCGLLRFGAHI-AWEZNQCLSA-N 1 0 391.545 2.082 20 0 GEADRO C[C@@H](Nc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)[C@H](C)[NH+]1CCOCC1 ZINC000820452138 599528019 /nfs/dbraw/zinc/52/80/19/599528019.db2.gz ZZSZAVUNPOLYDH-NEPJUHHUSA-N 1 0 387.875 2.011 20 0 GEADRO CC[C@H]1CN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1CCOC ZINC000820994321 599532624 /nfs/dbraw/zinc/53/26/24/599532624.db2.gz GSHDTMOELOGBDT-LBPRGKRZSA-N 1 0 384.406 2.433 20 0 GEADRO CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)C[C@@H]1C ZINC000821377469 599533719 /nfs/dbraw/zinc/53/37/19/599533719.db2.gz CPMDNTOSXTYKSF-AWEZNQCLSA-N 1 0 399.474 2.409 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC(C[NH+]4CCCC4)CC3)o2)c1 ZINC000823738235 599566034 /nfs/dbraw/zinc/56/60/34/599566034.db2.gz RJOXPXOWWIMFAJ-UHFFFAOYSA-N 1 0 394.483 2.225 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000819914500 599566602 /nfs/dbraw/zinc/56/66/02/599566602.db2.gz UJRZHFLCLMHJHA-UHFFFAOYSA-N 1 0 396.499 2.471 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821599477 599583234 /nfs/dbraw/zinc/58/32/34/599583234.db2.gz WKICMUVIJXPIDF-MRXNPFEDSA-N 1 0 382.472 2.223 20 0 GEADRO O=C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737875026 599585858 /nfs/dbraw/zinc/58/58/58/599585858.db2.gz HNLBMKJJEKXYGT-QGZVFWFLSA-N 1 0 397.527 2.393 20 0 GEADRO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335179 599590256 /nfs/dbraw/zinc/59/02/56/599590256.db2.gz QTLFTTPWCPUEHF-MRXNPFEDSA-N 1 0 378.480 2.354 20 0 GEADRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821450015 599592028 /nfs/dbraw/zinc/59/20/28/599592028.db2.gz ZRMAGZLKDRVHMF-HLLBOEOZSA-N 1 0 377.514 2.212 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C2 ZINC000738429326 599599210 /nfs/dbraw/zinc/59/92/10/599599210.db2.gz XEXHOKUHSVPKMB-XYJFISCASA-N 1 0 378.484 2.106 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000735875527 599614130 /nfs/dbraw/zinc/61/41/30/599614130.db2.gz VEZFGDJGBFGXNA-SFHVURJKSA-N 1 0 383.500 2.271 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C[C@@H]1C ZINC000821254369 599639252 /nfs/dbraw/zinc/63/92/52/599639252.db2.gz LLXCFYIWBVSBSQ-XJKSGUPXSA-N 1 0 382.472 2.221 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821181386 599644579 /nfs/dbraw/zinc/64/45/79/599644579.db2.gz MMEKXKHXXXCYMU-AWEZNQCLSA-N 1 0 391.907 2.265 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000819867977 599644717 /nfs/dbraw/zinc/64/47/17/599644717.db2.gz WHNFBYHVRNWKQF-LBPRGKRZSA-N 1 0 390.875 2.350 20 0 GEADRO CC[C@@H](C(=O)OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[NH+](CC)CC ZINC000820847385 599663158 /nfs/dbraw/zinc/66/31/58/599663158.db2.gz CSABARNFUMMDTD-AWEZNQCLSA-N 1 0 385.428 2.080 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820704937 599666684 /nfs/dbraw/zinc/66/66/84/599666684.db2.gz QTSHOFKVJVIYSO-ZDUSSCGKSA-N 1 0 375.452 2.070 20 0 GEADRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820339974 599680929 /nfs/dbraw/zinc/68/09/29/599680929.db2.gz IEULLKOZKXLYLL-OAHLLOKOSA-N 1 0 383.500 2.445 20 0 GEADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)C[C@H]1CCCOC1 ZINC000819876405 599690297 /nfs/dbraw/zinc/69/02/97/599690297.db2.gz GXRSMLQGJCOFCJ-NWDGAFQWSA-N 1 0 390.513 2.102 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000820126919 599700389 /nfs/dbraw/zinc/70/03/89/599700389.db2.gz FGMPTFKFLXHQGI-UHFFFAOYSA-N 1 0 398.511 2.357 20 0 GEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)CC1 ZINC000738769400 599947943 /nfs/dbraw/zinc/94/79/43/599947943.db2.gz AXTDSRQHDXEPHQ-KRWDZBQOSA-N 1 0 387.524 2.261 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1-c1nn[nH]n1 ZINC000820166689 607427994 /nfs/dbraw/zinc/42/79/94/607427994.db2.gz ZYGATFDGYWEDKV-OAHLLOKOSA-N 1 0 383.456 2.132 20 0 GEADRO CC(C)Oc1ccc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1-c1nn[nH]n1 ZINC000820168864 607428103 /nfs/dbraw/zinc/42/81/03/607428103.db2.gz DAXJXIANDCLTRD-UHFFFAOYSA-N 1 0 399.459 2.056 20 0 GEADRO COC(=O)[C@@H]1CC12CC[NH+](C[C@H](C)C[NH+]1CCC3(C[C@H]3C(=O)[O-])CC1)CC2 ZINC000737580218 600209778 /nfs/dbraw/zinc/20/97/78/600209778.db2.gz MGSYNIUADGSSQG-IKGGRYGDSA-N 1 0 378.513 2.084 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1-c1nn[nH]n1 ZINC000820164353 607432220 /nfs/dbraw/zinc/43/22/20/607432220.db2.gz IWNZPJGIFVMCAR-CVEARBPZSA-N 1 0 385.472 2.402 20 0 GEADRO CN1CCO[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821628283 607449070 /nfs/dbraw/zinc/44/90/70/607449070.db2.gz FGZGARXOANDRPU-SFHVURJKSA-N 1 0 378.480 2.296 20 0 GEADRO C[N@H+](CCNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)Cc1ccccc1 ZINC000825941246 607453809 /nfs/dbraw/zinc/45/38/09/607453809.db2.gz FMQCQGPCSTWOAP-UHFFFAOYSA-N 1 0 391.479 2.287 20 0 GEADRO C[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)C[NH+]1CCCCC1 ZINC000824419849 607453390 /nfs/dbraw/zinc/45/33/90/607453390.db2.gz CRGRBNLXXNMHAA-HNNXBMFYSA-N 1 0 383.500 2.277 20 0 GEADRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821589231 607454736 /nfs/dbraw/zinc/45/47/36/607454736.db2.gz DJCDBZDHZPWCSR-RBUKOAKNSA-N 1 0 391.479 2.296 20 0 GEADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823792499 607473365 /nfs/dbraw/zinc/47/33/65/607473365.db2.gz 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CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824262195 607514911 /nfs/dbraw/zinc/51/49/11/607514911.db2.gz YBLMGSDYTDXREJ-QGZVFWFLSA-N 1 0 385.516 2.376 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261680 607515108 /nfs/dbraw/zinc/51/51/08/607515108.db2.gz ORCSMFCPCGCWEQ-QGZVFWFLSA-N 1 0 385.516 2.376 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000826182705 607518078 /nfs/dbraw/zinc/51/80/78/607518078.db2.gz RHEYFNAAESLUGM-HDICACEKSA-N 1 0 376.464 2.444 20 0 GEADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826453651 607518862 /nfs/dbraw/zinc/51/88/62/607518862.db2.gz UJJOWCICDSVBNJ-UHFFFAOYSA-N 1 0 398.858 2.161 20 0 GEADRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000825234302 607522097 /nfs/dbraw/zinc/52/20/97/607522097.db2.gz YKFLYHDKUIHUTM-GDBMZVCRSA-N 1 0 386.500 2.392 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000830596434 601960575 /nfs/dbraw/zinc/96/05/75/601960575.db2.gz MNCXZEJBXRNRQF-UHFFFAOYSA-N 1 0 381.542 2.362 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CCCCC1 ZINC000825850363 607576871 /nfs/dbraw/zinc/57/68/71/607576871.db2.gz PHXIFBPQZNVSQI-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)[N@@H+]1CCCC[C@@H]1C ZINC000824938561 607587003 /nfs/dbraw/zinc/58/70/03/607587003.db2.gz VGPVUZPWCCZPCN-NWDGAFQWSA-N 1 0 398.920 2.061 20 0 GEADRO Cc1cccc(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)c1-c1nn[nH]n1 ZINC000826300803 607598632 /nfs/dbraw/zinc/59/86/32/607598632.db2.gz GXGRNMSTIJZYAD-UHFFFAOYSA-N 1 0 392.529 2.060 20 0 GEADRO COc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826198049 607627865 /nfs/dbraw/zinc/62/78/65/607627865.db2.gz KKFTYDYJNHMEDE-MRXNPFEDSA-N 1 0 399.499 2.035 20 0 GEADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444180386 649939049 /nfs/dbraw/zinc/93/90/49/649939049.db2.gz 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C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824699449 607757005 /nfs/dbraw/zinc/75/70/05/607757005.db2.gz SWFCGNMSBVIHJH-YPMHNXCESA-N 1 0 378.864 2.084 20 0 GEADRO CCOC(=O)Nc1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1-c1nn[nH]n1 ZINC000825532599 607761305 /nfs/dbraw/zinc/76/13/05/607761305.db2.gz UUXDNTXJWCURQO-VXGBXAGGSA-N 1 0 387.444 2.246 20 0 GEADRO CN1CC[N@H+](CCCNc2ccc(-c3nn[nH]n3)nc2)[C@H](c2ccccc2)C1 ZINC000821626857 606037912 /nfs/dbraw/zinc/03/79/12/606037912.db2.gz BUFKRPBBZUCXGV-IBGZPJMESA-N 1 0 378.484 2.052 20 0 GEADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)nc1 ZINC000822242566 606072589 /nfs/dbraw/zinc/07/25/89/606072589.db2.gz PLVHYOVDOKNGGE-MRXNPFEDSA-N 1 0 377.452 2.421 20 0 GEADRO c1ccc2nc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c(-c3nn[nH]n3)cc2c1 ZINC000823802718 606089133 /nfs/dbraw/zinc/08/91/33/606089133.db2.gz ZLDJFIWRDWSZJW-CQSZACIVSA-N 1 0 379.468 2.328 20 0 GEADRO OCCCC[NH+]1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000823717872 606089878 /nfs/dbraw/zinc/08/98/78/606089878.db2.gz MNKXWUOIVWQCFI-UHFFFAOYSA-N 1 0 392.507 2.424 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(I)c2)CCC1 ZINC000445714363 649964455 /nfs/dbraw/zinc/96/44/55/649964455.db2.gz QIFHSMCRVJOSEX-UHFFFAOYSA-N 1 0 394.278 2.054 20 0 GEADRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820643740 606112637 /nfs/dbraw/zinc/11/26/37/606112637.db2.gz YJXGUGSPNWSOLN-OXQOHEQNSA-N 1 0 390.491 2.436 20 0 GEADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822693604 606113267 /nfs/dbraw/zinc/11/32/67/606113267.db2.gz GYDFPWOJCHSWBJ-APWZRJJASA-N 1 0 382.468 2.172 20 0 GEADRO c1cc(-c2nnc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737029 606160893 /nfs/dbraw/zinc/16/08/93/606160893.db2.gz AIHHODJLMSFWTG-LJQANCHMSA-N 1 0 381.440 2.309 20 0 GEADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](C2CCOCC2)CC1 ZINC000822204483 606164975 /nfs/dbraw/zinc/16/49/75/606164975.db2.gz QHVJQILVVIQUKQ-UHFFFAOYSA-N 1 0 397.458 2.163 20 0 GEADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000822718507 606165067 /nfs/dbraw/zinc/16/50/67/606165067.db2.gz KPLUYKCTDVSRKF-UHFFFAOYSA-N 1 0 382.390 2.187 20 0 GEADRO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CCCOC3)C2)c(-c2nn[nH]n2)c1C ZINC000822542438 606178487 /nfs/dbraw/zinc/17/84/87/606178487.db2.gz XUBZAFWIHZMOAR-YJYMSZOUSA-N 1 0 388.472 2.296 20 0 GEADRO O=C(OCCCOCCC[NH+]1CCCCC1)c1sccc1-c1nn[nH]n1 ZINC000823401414 606183628 /nfs/dbraw/zinc/18/36/28/606183628.db2.gz VPRHCSSTZWLDSW-UHFFFAOYSA-N 1 0 379.486 2.368 20 0 GEADRO O=C(COc1ccccc1-c1nn[nH]n1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000823049329 606190338 /nfs/dbraw/zinc/19/03/38/606190338.db2.gz CFUUWPWPKLGLQO-UHFFFAOYSA-N 1 0 384.484 2.159 20 0 GEADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000823009692 606197275 /nfs/dbraw/zinc/19/72/75/606197275.db2.gz PZDNKMUWPRJUFE-UHFFFAOYSA-N 1 0 383.500 2.192 20 0 GEADRO O=S(=O)(CCC[NH2+]Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1 ZINC000823557180 606212149 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GEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)cc2)CC1 ZINC000821582949 606279103 /nfs/dbraw/zinc/27/91/03/606279103.db2.gz COCWOAIJTLDMPR-UHFFFAOYSA-N 1 0 394.483 2.225 20 0 GEADRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821858313 606302347 /nfs/dbraw/zinc/30/23/47/606302347.db2.gz FDPFGQSGEORALI-IAQYHMDHSA-N 1 0 384.465 2.393 20 0 GEADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821777600 606304171 /nfs/dbraw/zinc/30/41/71/606304171.db2.gz JJHMDMRVAVZFRO-IAQYHMDHSA-N 1 0 384.465 2.393 20 0 GEADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000821652638 606324671 /nfs/dbraw/zinc/32/46/71/606324671.db2.gz XGJXNTQKHSZKLU-XUJQIHCRSA-N 1 0 398.511 2.277 20 0 GEADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000821651883 606329448 /nfs/dbraw/zinc/32/94/48/606329448.db2.gz ICHFTUCWPCEBQL-GOSISDBHSA-N 1 0 384.484 2.031 20 0 GEADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000821651590 606332437 /nfs/dbraw/zinc/33/24/37/606332437.db2.gz BYKSGVWMIVWJMG-SQNIBIBYSA-N 1 0 384.484 2.028 20 0 GEADRO C[NH+](C)C1(CNC(=O)N2CCC(n3cc(Br)cn3)CC2)CCC1 ZINC000445859754 649965297 /nfs/dbraw/zinc/96/52/97/649965297.db2.gz QZLUPFMUSDLGKV-UHFFFAOYSA-N 1 0 384.322 2.476 20 0 GEADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820643047 606337429 /nfs/dbraw/zinc/33/74/29/606337429.db2.gz PEMULHJVDLEJOJ-DNVCBOLYSA-N 1 0 376.464 2.361 20 0 GEADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000822665359 606408350 /nfs/dbraw/zinc/40/83/50/606408350.db2.gz OZRRKZPPZKHLST-UHFFFAOYSA-N 1 0 396.451 2.289 20 0 GEADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cn2)C[C@H](C)O1 ZINC000820774510 606409628 /nfs/dbraw/zinc/40/96/28/606409628.db2.gz DYLNOBPSVKCQNL-BETUJISGSA-N 1 0 385.497 2.227 20 0 GEADRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cn2)C[C@H](C)O1 ZINC000820774512 606409634 /nfs/dbraw/zinc/40/96/34/606409634.db2.gz DYLNOBPSVKCQNL-STQMWFEESA-N 1 0 385.497 2.227 20 0 GEADRO CC(C)CN(C(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000445886425 649965649 /nfs/dbraw/zinc/96/56/49/649965649.db2.gz PVROUTCVKUSIHR-UONOGXRCSA-N 1 0 386.480 2.225 20 0 GEADRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC000821723920 606426176 /nfs/dbraw/zinc/42/61/76/606426176.db2.gz MRIXJEWIYBGEHW-LBPRGKRZSA-N 1 0 386.481 2.314 20 0 GEADRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000820649736 606434381 /nfs/dbraw/zinc/43/43/81/606434381.db2.gz OEXUURJHRIYNJF-XIKOKIGWSA-N 1 0 392.529 2.424 20 0 GEADRO OC1CC[NH+](Cc2ccccc2CNc2ccc(Cl)c(-c3nn[nH]n3)n2)CC1 ZINC000823705063 606471256 /nfs/dbraw/zinc/47/12/56/606471256.db2.gz DQVFCWGRUWORJM-UHFFFAOYSA-N 1 0 399.886 2.484 20 0 GEADRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@@H](C)C3)C1 ZINC000821697760 606518396 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ZINC000826496614 608527321 /nfs/dbraw/zinc/52/73/21/608527321.db2.gz BPMXWBHYOMKCEC-INIZCTEOSA-N 1 0 383.477 2.201 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000826231938 608527644 /nfs/dbraw/zinc/52/76/44/608527644.db2.gz RXASROJSENZKRZ-BXUZGUMPSA-N 1 0 375.379 2.235 20 0 GEADRO COc1ccccc1COC[C@@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826220614 608531922 /nfs/dbraw/zinc/53/19/22/608531922.db2.gz TWTFBUNQMAIJBM-SFHVURJKSA-N 1 0 395.463 2.032 20 0 GEADRO COc1ccccc1[C@H](C)NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826219168 608532238 /nfs/dbraw/zinc/53/22/38/608532238.db2.gz UWYLXJNWKHZNAZ-AWEZNQCLSA-N 1 0 392.463 2.331 20 0 GEADRO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826217100 608538673 /nfs/dbraw/zinc/53/86/73/608538673.db2.gz YVDKGLMBEGWVMO-TZMCWYRMSA-N 1 0 387.415 2.105 20 0 GEADRO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826217099 608538842 /nfs/dbraw/zinc/53/88/42/608538842.db2.gz YVDKGLMBEGWVMO-OCCSQVGLSA-N 1 0 387.415 2.105 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cccn2)cc1 ZINC000824570248 608550475 /nfs/dbraw/zinc/55/04/75/608550475.db2.gz MLAUVLDDPDYRSF-KUHUBIRLSA-N 1 0 375.436 2.437 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1F ZINC000824572758 608559344 /nfs/dbraw/zinc/55/93/44/608559344.db2.gz XODFRHCWMURWIK-AAEUAGOBSA-N 1 0 375.379 2.235 20 0 GEADRO c1c(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)nc2ccccn12 ZINC000826524782 608571344 /nfs/dbraw/zinc/57/13/44/608571344.db2.gz JYMQVLPWYUMZCI-UHFFFAOYSA-N 1 0 390.451 2.389 20 0 GEADRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000824925228 608577979 /nfs/dbraw/zinc/57/79/79/608577979.db2.gz BVBPACIDRASLTI-KBPBESRZSA-N 1 0 394.483 2.405 20 0 GEADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000824586333 608579022 /nfs/dbraw/zinc/57/90/22/608579022.db2.gz YETVQAWONLWKJW-CFJPQMKISA-N 1 0 398.492 2.284 20 0 GEADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824586335 608579047 /nfs/dbraw/zinc/57/90/47/608579047.db2.gz YETVQAWONLWKJW-OIJAAMDRSA-N 1 0 398.492 2.284 20 0 GEADRO CCc1nn(C)cc1C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825763299 608582828 /nfs/dbraw/zinc/58/28/28/608582828.db2.gz SJJARCJRDNWUFB-UHFFFAOYSA-N 1 0 394.483 2.013 20 0 GEADRO CCOc1cccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000825649042 608584484 /nfs/dbraw/zinc/58/44/84/608584484.db2.gz JXMLADFKYWWUSD-UHFFFAOYSA-N 1 0 379.468 2.373 20 0 GEADRO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000826179482 608587389 /nfs/dbraw/zinc/58/73/89/608587389.db2.gz PTNRICNHIVCXLE-RDTXWAMCSA-N 1 0 395.463 2.267 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1-c1nn[nH]n1 ZINC000826231765 608636852 /nfs/dbraw/zinc/63/68/52/608636852.db2.gz YOMNNHWUECANEE-WDEREUQCSA-N 1 0 387.513 2.026 20 0 GEADRO CC1CC[NH+](C[C@H]2CCCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)CC1 ZINC000824953522 608639298 /nfs/dbraw/zinc/63/92/98/608639298.db2.gz FDGCTFVZCLYIJS-QGZVFWFLSA-N 1 0 394.527 2.458 20 0 GEADRO COCc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000826164652 608660120 /nfs/dbraw/zinc/66/01/20/608660120.db2.gz KAQTZVKNEIXPLC-UHFFFAOYSA-N 1 0 396.451 2.457 20 0 GEADRO C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000825953590 608687630 /nfs/dbraw/zinc/68/76/30/608687630.db2.gz LDXBXGKMHIDCHL-HNNXBMFYSA-N 1 0 390.538 2.495 20 0 GEADRO CCc1nccn1[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825754814 608690180 /nfs/dbraw/zinc/69/01/80/608690180.db2.gz IAYIYHRNUKRNGN-HNNXBMFYSA-N 1 0 377.456 2.110 20 0 GEADRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826050943 608751626 /nfs/dbraw/zinc/75/16/26/608751626.db2.gz INORTKYVHFLIGL-OAHLLOKOSA-N 1 0 394.479 2.260 20 0 GEADRO Cn1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(-c2cccs2)n1 ZINC000826361584 608760759 /nfs/dbraw/zinc/76/07/59/608760759.db2.gz DMDCNZIWLCVXDN-UHFFFAOYSA-N 1 0 381.465 2.497 20 0 GEADRO c1ccc(N2CC[NH+](CCCCNc3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826522420 608776069 /nfs/dbraw/zinc/77/60/69/608776069.db2.gz YTCCUEJNPKEPCH-UHFFFAOYSA-N 1 0 378.484 2.276 20 0 GEADRO Cc1n[nH]c(CC[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)n1 ZINC000826325694 608805501 /nfs/dbraw/zinc/80/55/01/608805501.db2.gz ILIJAOWGYUOYIJ-UHFFFAOYSA-N 1 0 390.451 2.205 20 0 GEADRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824385394 608845561 /nfs/dbraw/zinc/84/55/61/608845561.db2.gz RXXHDQMEMDSZLZ-SCLBCKFNSA-N 1 0 375.436 2.338 20 0 GEADRO COc1cc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)ccc1OCCO ZINC000826179466 609135831 /nfs/dbraw/zinc/13/58/31/609135831.db2.gz PGYSQPDUSKHGKW-GFCCVEGCSA-N 1 0 387.415 2.236 20 0 GEADRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824619664 609139534 /nfs/dbraw/zinc/13/95/34/609139534.db2.gz YJUVGKLGTFBHFZ-LBPRGKRZSA-N 1 0 389.456 2.401 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824571745 609141099 /nfs/dbraw/zinc/14/10/99/609141099.db2.gz ROMXLDNSTGSROM-PWSUYJOCSA-N 1 0 393.369 2.375 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000446396378 649979493 /nfs/dbraw/zinc/97/94/93/649979493.db2.gz ABWUBJZOPCXXAV-MRVWCRGKSA-N 1 0 380.286 2.188 20 0 GEADRO Cc1ncc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826329551 609169450 /nfs/dbraw/zinc/16/94/50/609169450.db2.gz IBAJPJLMAGVXNU-NHYWBVRUSA-N 1 0 383.481 2.478 20 0 GEADRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825415577 609185894 /nfs/dbraw/zinc/18/58/94/609185894.db2.gz CMQPGYAQQSRSSH-LJQANCHMSA-N 1 0 394.479 2.058 20 0 GEADRO CC1CC[NH+]([C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c2cccs2)CC1 ZINC000824955293 609190567 /nfs/dbraw/zinc/19/05/67/609190567.db2.gz NSCGPJFGPYADSI-OAHLLOKOSA-N 1 0 385.497 2.459 20 0 GEADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC000824947899 609196450 /nfs/dbraw/zinc/19/64/50/609196450.db2.gz RHIYIDXVANMAGW-AWEZNQCLSA-N 1 0 379.468 2.357 20 0 GEADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826468930 609227678 /nfs/dbraw/zinc/22/76/78/609227678.db2.gz NHUTXFBFTCCXAK-VQIMIIECSA-N 1 0 391.479 2.322 20 0 GEADRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824662722 609247046 /nfs/dbraw/zinc/24/70/46/609247046.db2.gz QFKJTPSNRCWWFS-AUUYWEPGSA-N 1 0 391.479 2.490 20 0 GEADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826456429 609260174 /nfs/dbraw/zinc/26/01/74/609260174.db2.gz DGFSHNLGLGMVGY-LJQANCHMSA-N 1 0 392.463 2.177 20 0 GEADRO C[C@@H](NC(=O)COc1ccccc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824480134 609285224 /nfs/dbraw/zinc/28/52/24/609285224.db2.gz UGMKAWNURMMHPB-HUUCEWRRSA-N 1 0 384.484 2.015 20 0 GEADRO Cc1noc(C2(C)CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)n1 ZINC000826339648 609297566 /nfs/dbraw/zinc/29/75/66/609297566.db2.gz NDDADMDNZORWHV-UHFFFAOYSA-N 1 0 378.440 2.365 20 0 GEADRO O=C(CCCC[NH+]1CCCC1)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000826406433 609313707 /nfs/dbraw/zinc/31/37/07/609313707.db2.gz XACMQTBXIXQBMK-UHFFFAOYSA-N 1 0 398.446 2.396 20 0 GEADRO Cn1cc(C[NH2+]Cc2ccc3c(c2)OCO3)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361841 609336241 /nfs/dbraw/zinc/33/62/41/609336241.db2.gz RHHRNHAJDKAIEO-UHFFFAOYSA-N 1 0 389.419 2.286 20 0 GEADRO Cn1cc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361074 609337982 /nfs/dbraw/zinc/33/79/82/609337982.db2.gz KFKFXIXGEWKUBG-SFHVURJKSA-N 1 0 393.426 2.230 20 0 GEADRO Cc1nccn1CCCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826330638 609340357 /nfs/dbraw/zinc/34/03/57/609340357.db2.gz BSJUIKUNWKVFMG-UHFFFAOYSA-N 1 0 391.483 2.342 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](CO)c2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361472 609341702 /nfs/dbraw/zinc/34/17/02/609341702.db2.gz YEFTXUYEFKCPRL-IBGZPJMESA-N 1 0 389.463 2.133 20 0 GEADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824393523 609342203 /nfs/dbraw/zinc/34/22/03/609342203.db2.gz SLCHEOJEKBYAAE-CXAGYDPISA-N 1 0 393.451 2.462 20 0 GEADRO Cc1cc(C[C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)[nH]n1 ZINC000826266408 609342976 /nfs/dbraw/zinc/34/29/76/609342976.db2.gz NWEBSHNFXOJQBA-GFCCVEGCSA-N 1 0 377.456 2.020 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)ccc1C ZINC000826179546 609415237 /nfs/dbraw/zinc/41/52/37/609415237.db2.gz SRHYGHJHOFWOAL-GOSISDBHSA-N 1 0 392.463 2.469 20 0 GEADRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824225182 609416582 /nfs/dbraw/zinc/41/65/82/609416582.db2.gz RZYDTVOYDYVBRS-NJAFHUGGSA-N 1 0 384.484 2.013 20 0 GEADRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(C)C ZINC000826144140 609416995 /nfs/dbraw/zinc/41/69/95/609416995.db2.gz BZUSMVCNSXJNSR-VDNDLQMASA-N 1 0 384.484 2.011 20 0 GEADRO Cc1ccncc1C=CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826315370 609491089 /nfs/dbraw/zinc/49/10/89/609491089.db2.gz HNHABOWQAHYXJG-HJWRWDBZSA-N 1 0 391.479 2.174 20 0 GEADRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826429869 609496494 /nfs/dbraw/zinc/49/64/94/609496494.db2.gz OUJJRMCEGMJQDP-KBAYOESNSA-N 1 0 391.479 2.225 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C[C@@H]1C ZINC000825452135 609549960 /nfs/dbraw/zinc/54/99/60/609549960.db2.gz NXULQAPKUACCEX-AAEUAGOBSA-N 1 0 398.920 2.013 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ncc1Br ZINC000446547712 649983301 /nfs/dbraw/zinc/98/33/01/649983301.db2.gz NIMRLJKAWYEVCD-CHWSQXEVSA-N 1 0 397.317 2.470 20 0 GEADRO COC[C@@H](C)OC[C@H](O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000446702966 649986915 /nfs/dbraw/zinc/98/69/15/649986915.db2.gz VZIOJZRQXKMMPA-IUODEOHRSA-N 1 0 376.291 2.302 20 0 GEADRO CSCCN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000446989806 649992009 /nfs/dbraw/zinc/99/20/09/649992009.db2.gz HBPBUCXCFCYRAC-UHFFFAOYSA-N 1 0 381.567 2.038 20 0 GEADRO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000446994827 649992022 /nfs/dbraw/zinc/99/20/22/649992022.db2.gz BLIYJOPVPUEUNU-HNNXBMFYSA-N 1 0 397.317 2.195 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000447241930 650002952 /nfs/dbraw/zinc/00/29/52/650002952.db2.gz DEWRZMXGVZDBTL-WDEREUQCSA-N 1 0 377.304 2.185 20 0 GEADRO CCc1n[nH]c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1Br ZINC000447550384 650007319 /nfs/dbraw/zinc/00/73/19/650007319.db2.gz HMJZOKKMGHMIGH-GFCCVEGCSA-N 1 0 385.306 2.062 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cncc(Br)c1 ZINC000447939011 650011359 /nfs/dbraw/zinc/01/13/59/650011359.db2.gz DDJUGEQNENHSQM-ZDUSSCGKSA-N 1 0 376.320 2.243 20 0 GEADRO COCC[C@@]1([NH2+]CC(=O)N(C)Cc2ccccc2Br)CCOC1 ZINC000447388869 650006229 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COC(=O)Cn1cc(C[NH2+]CCc2ccc(-c3csc(C)n3)s2)nn1 ZINC000449067995 650031146 /nfs/dbraw/zinc/03/11/46/650031146.db2.gz PTHCAWXZRQMJKE-UHFFFAOYSA-N 1 0 377.495 2.277 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1 ZINC000449237257 650035208 /nfs/dbraw/zinc/03/52/08/650035208.db2.gz AWQMJXHTXKOYQO-OAHLLOKOSA-N 1 0 380.897 2.177 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000449252842 650035975 /nfs/dbraw/zinc/03/59/75/650035975.db2.gz TXBUXFCBTSEARM-IUODEOHRSA-N 1 0 399.285 2.031 20 0 GEADRO C[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000449271046 650037302 /nfs/dbraw/zinc/03/73/02/650037302.db2.gz FHAVQHRRWVGWBW-GFCCVEGCSA-N 1 0 387.548 2.448 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1CC(O)C1 ZINC000449284769 650037568 /nfs/dbraw/zinc/03/75/68/650037568.db2.gz PZCIQTIDVIHPIQ-XIKARTHZSA-N 1 0 385.302 2.213 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000449286495 650037673 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CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1C ZINC000449686057 650045575 /nfs/dbraw/zinc/04/55/75/650045575.db2.gz VINJSDLCEIVTGF-TZMCWYRMSA-N 1 0 392.359 2.321 20 0 GEADRO COCCN1CC[C@@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)C1 ZINC000449598057 650043124 /nfs/dbraw/zinc/04/31/24/650043124.db2.gz HCQKKZPWYNFMKR-XJKSGUPXSA-N 1 0 389.309 2.050 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccnc(OC)n2)cc1Br ZINC000449597174 650043191 /nfs/dbraw/zinc/04/31/91/650043191.db2.gz DHHYNOSIAPHKQN-CYBMUJFWSA-N 1 0 396.285 2.197 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccnc(OC)n2)cc1Br ZINC000449597175 650043244 /nfs/dbraw/zinc/04/32/44/650043244.db2.gz DHHYNOSIAPHKQN-ZDUSSCGKSA-N 1 0 396.285 2.197 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cn(C)nc2C)cc1Br ZINC000449600042 650043462 /nfs/dbraw/zinc/04/34/62/650043462.db2.gz NCSCOOXLEBTNPT-AWEZNQCLSA-N 1 0 382.302 2.440 20 0 GEADRO COc1nccc(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)n1 ZINC000449600134 650043579 /nfs/dbraw/zinc/04/35/79/650043579.db2.gz NEPFBFGTALKOQK-CQSZACIVSA-N 1 0 380.286 2.497 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000449601410 650043599 /nfs/dbraw/zinc/04/35/99/650043599.db2.gz RLYHKFYLWGWYNX-LBPRGKRZSA-N 1 0 397.292 2.385 20 0 GEADRO CCC1(C[NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)COC1 ZINC000449602191 650043976 /nfs/dbraw/zinc/04/39/76/650043976.db2.gz CGYYUKRZZSQPMV-LBPRGKRZSA-N 1 0 385.302 2.479 20 0 GEADRO CCn1nnc(C)c1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000449679940 650044851 /nfs/dbraw/zinc/04/48/51/650044851.db2.gz JBWBZTAOTCRNSV-ZDUSSCGKSA-N 1 0 397.317 2.318 20 0 GEADRO CN(CC(=O)N[C@@H]1CC[NH2+]CC1(C)C)C(=O)c1ccc(Br)s1 ZINC000449702662 650046808 /nfs/dbraw/zinc/04/68/08/650046808.db2.gz ZQNOOQVKGPLBLX-LLVKDONJSA-N 1 0 388.331 2.087 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449708935 650046980 /nfs/dbraw/zinc/04/69/80/650046980.db2.gz HTDRIZZMLIAYAJ-XEZPLFJOSA-N 1 0 396.329 2.447 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449728106 650048042 /nfs/dbraw/zinc/04/80/42/650048042.db2.gz SZWSWKJZPWLCLC-STQMWFEESA-N 1 0 379.810 2.490 20 0 GEADRO COc1nccnc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000449767309 650049130 /nfs/dbraw/zinc/04/91/30/650049130.db2.gz PZPUWJQHZICFAY-UHFFFAOYSA-N 1 0 380.246 2.091 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000449757232 650049310 /nfs/dbraw/zinc/04/93/10/650049310.db2.gz XVIIICFFOBWGLQ-UONOGXRCSA-N 1 0 380.286 2.059 20 0 GEADRO CCOc1c(Br)cc(CN2CC[N@H+](CCO)C[C@H]2C)cc1OC ZINC000449787038 650050015 /nfs/dbraw/zinc/05/00/15/650050015.db2.gz SBECPJGPCVCZNF-CYBMUJFWSA-N 1 0 387.318 2.355 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)n1 ZINC000533459136 650053306 /nfs/dbraw/zinc/05/33/06/650053306.db2.gz JVPAIBXAJAJZMJ-UHFFFAOYSA-N 1 0 384.267 2.006 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000449849520 650053706 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C[C@H](O)C[N@H+](C)C1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000451183642 650094123 /nfs/dbraw/zinc/09/41/23/650094123.db2.gz KNOIBKBBQXCFDI-NSHDSACASA-N 1 0 375.332 2.357 20 0 GEADRO CN1CC[C@H]([N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)C1=O ZINC000451190634 650094982 /nfs/dbraw/zinc/09/49/82/650094982.db2.gz LNZZLRRUQZWJBV-ZFWWWQNUSA-N 1 0 384.261 2.386 20 0 GEADRO COC[C@]1(C(=O)OC)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000451330219 650104323 /nfs/dbraw/zinc/10/43/23/650104323.db2.gz PBPUFZWUUFVXSI-SJCJKPOMSA-N 1 0 399.285 2.288 20 0 GEADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)cn1 ZINC000451349353 650106000 /nfs/dbraw/zinc/10/60/00/650106000.db2.gz BEZLABOPWMEVDK-INIZCTEOSA-N 1 0 386.880 2.232 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000451459451 650116599 /nfs/dbraw/zinc/11/65/99/650116599.db2.gz XINJJIUPZFNUSV-UHFFFAOYSA-N 1 0 382.346 2.442 20 0 GEADRO C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000451463033 650117415 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C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452066813 650170824 /nfs/dbraw/zinc/17/08/24/650170824.db2.gz LJLUVTRECAKZHG-JTNHKYCSSA-N 1 0 388.249 2.321 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452066817 650170866 /nfs/dbraw/zinc/17/08/66/650170866.db2.gz LJLUVTRECAKZHG-UHIISALHSA-N 1 0 388.249 2.321 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452069948 650171160 /nfs/dbraw/zinc/17/11/60/650171160.db2.gz QZTPLUSPNISPOM-JTNHKYCSSA-N 1 0 388.249 2.321 20 0 GEADRO O=C(CCc1cc(Br)cs1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452345469 650180450 /nfs/dbraw/zinc/18/04/50/650180450.db2.gz FCVPDSZHRXXQAI-CYBMUJFWSA-N 1 0 375.332 2.406 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452355926 650181323 /nfs/dbraw/zinc/18/13/23/650181323.db2.gz ZIFCZUHFOLCUNQ-KBPBESRZSA-N 1 0 385.302 2.179 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452368724 650182179 /nfs/dbraw/zinc/18/21/79/650182179.db2.gz RBMHKVORGSGTAA-LLVKDONJSA-N 1 0 391.331 2.404 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452375133 650182563 /nfs/dbraw/zinc/18/25/63/650182563.db2.gz JEMSXHLBQHYZRF-NSHDSACASA-N 1 0 391.256 2.233 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C1(c2ccc(Br)cc2)CC1 ZINC000452387011 650183643 /nfs/dbraw/zinc/18/36/43/650183643.db2.gz GJLNTHIHBVNYKZ-INIZCTEOSA-N 1 0 381.314 2.444 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCOC1)c1ccc(F)c(I)c1 ZINC000453135072 650206188 /nfs/dbraw/zinc/20/61/88/650206188.db2.gz CRYWPRSLUZXLLQ-DRCTWCGVSA-N 1 0 379.213 2.478 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)c(F)cc3I)C[C@@H]21 ZINC000452975653 650201926 /nfs/dbraw/zinc/20/19/26/650201926.db2.gz NTFLZRBQKKYTRO-OQPBUACISA-N 1 0 392.187 2.346 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)C[C@@H]21 ZINC000453030869 650204413 /nfs/dbraw/zinc/20/44/13/650204413.db2.gz HTODNQNCBXFWLG-YPMHNXCESA-N 1 0 376.507 2.162 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1ccncn1 ZINC000453094526 650205652 /nfs/dbraw/zinc/20/56/52/650205652.db2.gz PYLNLAKNSFNHMU-DGCLKSJQSA-N 1 0 399.232 2.172 20 0 GEADRO C[C@@H]([NH2+]CCNc1cnccn1)c1ccc(F)c(I)c1 ZINC000453126929 650205852 /nfs/dbraw/zinc/20/58/52/650205852.db2.gz BNNCWFQHEFCGCO-SNVBAGLBSA-N 1 0 386.212 2.983 20 0 GEADRO COC[C@@](C)(O)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453267423 650207276 /nfs/dbraw/zinc/20/72/76/650207276.db2.gz YNTINESOAINOAE-HIFRSBDPSA-N 1 0 392.315 2.045 20 0 GEADRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453268680 650207296 /nfs/dbraw/zinc/20/72/96/650207296.db2.gz ZWJHEFKPGHZJFC-XPTSAGLGSA-N 1 0 385.313 2.079 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000453277356 650207682 /nfs/dbraw/zinc/20/76/82/650207682.db2.gz OAVUHWGPNTYROF-ZIAGYGMSSA-N 1 0 394.718 2.229 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000453347843 650208485 /nfs/dbraw/zinc/20/84/85/650208485.db2.gz FXWFNZFAYHGVJL-VXGBXAGGSA-N 1 0 396.285 2.455 20 0 GEADRO CCC1(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)COC1 ZINC000453380736 650208883 /nfs/dbraw/zinc/20/88/83/650208883.db2.gz RECYPMAUAPNZSG-JTQLQIEISA-N 1 0 377.304 2.174 20 0 GEADRO CC(C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000453560004 650209086 /nfs/dbraw/zinc/20/90/86/650209086.db2.gz FZCYVWSWUOPMKF-GFCCVEGCSA-N 1 0 397.317 2.053 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000453583664 650209395 /nfs/dbraw/zinc/20/93/95/650209395.db2.gz VSTCCRQTZYPTDN-UHFFFAOYSA-N 1 0 385.306 2.326 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000453620192 650210755 /nfs/dbraw/zinc/21/07/55/650210755.db2.gz KSEGVDBEUCZJPU-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO CCN(C)C(=O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000453624475 650210793 /nfs/dbraw/zinc/21/07/93/650210793.db2.gz FQSGWTHRHYUJEC-GFCCVEGCSA-N 1 0 397.317 2.006 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C1CC1 ZINC000453651789 650212343 /nfs/dbraw/zinc/21/23/43/650212343.db2.gz YVAONOVRSHUCCA-CYBMUJFWSA-N 1 0 388.693 2.497 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453698602 650216847 /nfs/dbraw/zinc/21/68/47/650216847.db2.gz PEYCTGBBLQSDJZ-CYBMUJFWSA-N 1 0 383.290 2.034 20 0 GEADRO CCSCc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000453699217 650217478 /nfs/dbraw/zinc/21/74/78/650217478.db2.gz PRBZJVCCWBHYOB-SFHVURJKSA-N 1 0 381.567 2.432 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000453742350 650221929 /nfs/dbraw/zinc/22/19/29/650221929.db2.gz UHERONBKYLVTOZ-UHFFFAOYSA-N 1 0 384.249 2.142 20 0 GEADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2nn(C)cc2Br)C1 ZINC000454310823 650262589 /nfs/dbraw/zinc/26/25/89/650262589.db2.gz BTZXAOUZIOIABL-ZDUSSCGKSA-N 1 0 386.338 2.494 20 0 GEADRO CN1CCO[C@@H](CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000454430747 650266308 /nfs/dbraw/zinc/26/63/08/650266308.db2.gz IPTCACVLRNGGSB-HOCLYGCPSA-N 1 0 382.302 2.279 20 0 GEADRO CN1CCO[C@H](CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000454430746 650266396 /nfs/dbraw/zinc/26/63/96/650266396.db2.gz IPTCACVLRNGGSB-GOEBONIOSA-N 1 0 382.302 2.279 20 0 GEADRO Cn1cc(Br)c(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)n1 ZINC000454481680 650267593 /nfs/dbraw/zinc/26/75/93/650267593.db2.gz OKNWXPREUHAXFI-UHFFFAOYSA-N 1 0 396.289 2.445 20 0 GEADRO O=C(Nc1cc(Cl)c(Cl)cn1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000455182223 650293676 /nfs/dbraw/zinc/29/36/76/650293676.db2.gz OAQXLZODJAKEKB-LLVKDONJSA-N 1 0 386.283 2.207 20 0 GEADRO O=C(c1ccc(I)cn1)N1CCC([NH+]2CCCC2)CC1 ZINC000455370389 650300865 /nfs/dbraw/zinc/30/08/65/650300865.db2.gz ONQMPDZAGRDUIO-UHFFFAOYSA-N 1 0 385.249 2.387 20 0 GEADRO C[C@@H](CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000455425988 650303867 /nfs/dbraw/zinc/30/38/67/650303867.db2.gz FCHQVZVCBYVSHH-AWEZNQCLSA-N 1 0 383.334 2.226 20 0 GEADRO C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@H]1[NH+](C)C ZINC000455607463 650309007 /nfs/dbraw/zinc/30/90/07/650309007.db2.gz BQQQJMQQEOMZOJ-SWLSCSKDSA-N 1 0 392.301 3.049 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000455659499 650311971 /nfs/dbraw/zinc/31/19/71/650311971.db2.gz FQIPTXHVZNRNIT-XOKHGSTOSA-N 1 0 380.330 2.305 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](c2nccs2)C(F)(F)F)C1 ZINC000455662482 650312061 /nfs/dbraw/zinc/31/20/61/650312061.db2.gz ROCSLNPLWVTAAP-NWDGAFQWSA-N 1 0 380.436 2.403 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000455691399 650312807 /nfs/dbraw/zinc/31/28/07/650312807.db2.gz ZNJBDGMWWKHJQU-RYUDHWBXSA-N 1 0 380.436 2.465 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)Nc2nc(CC(F)(F)F)cs2)CC1(C)C ZINC000455690772 650312858 /nfs/dbraw/zinc/31/28/58/650312858.db2.gz VVOMCZCIYCLKHC-UHFFFAOYSA-N 1 0 379.452 2.395 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(I)cn1 ZINC000455704181 650313727 /nfs/dbraw/zinc/31/37/27/650313727.db2.gz KSQWZPXAYPHDMS-WCQYABFASA-N 1 0 385.249 2.385 20 0 GEADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1nnc2ccc(Br)cn21 ZINC000455768435 650317907 /nfs/dbraw/zinc/31/79/07/650317907.db2.gz XQZURUKQOJMIDG-UHFFFAOYSA-N 1 0 383.294 2.734 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455857736 650322501 /nfs/dbraw/zinc/32/25/01/650322501.db2.gz IMTPKYVSHQXXNE-CYBMUJFWSA-N 1 0 395.305 2.878 20 0 GEADRO CC1CC[NH+](CCCNC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000455845837 650321359 /nfs/dbraw/zinc/32/13/59/650321359.db2.gz NZLOFIVMAVLBMZ-UHFFFAOYSA-N 1 0 395.305 2.735 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)[C@H]2C1 ZINC000456070085 650329277 /nfs/dbraw/zinc/32/92/77/650329277.db2.gz ZJMHHXPOOWKQPP-VVLHAWIVSA-N 1 0 379.298 2.484 20 0 GEADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000456356706 650337741 /nfs/dbraw/zinc/33/77/41/650337741.db2.gz RPXGUIHJHLZDAR-GFCCVEGCSA-N 1 0 386.290 2.057 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000456710457 650356421 /nfs/dbraw/zinc/35/64/21/650356421.db2.gz GBOFIVQPMMKRCJ-SUMWQHHRSA-N 1 0 399.304 2.482 20 0 GEADRO CC[C@H](C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC)[NH+](C)C ZINC000456718419 650358410 /nfs/dbraw/zinc/35/84/10/650358410.db2.gz LCPRWNRUXIWVGZ-SWLSCSKDSA-N 1 0 387.318 2.065 20 0 GEADRO CCC[N@H+](C)CC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456720726 650358614 /nfs/dbraw/zinc/35/86/14/650358614.db2.gz NWGYIZWHVGFYJE-CYBMUJFWSA-N 1 0 375.282 2.197 20 0 GEADRO CCC[N@H+](C)CC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000456724860 650359633 /nfs/dbraw/zinc/35/96/33/650359633.db2.gz PKCDWJVFRGWRKZ-ZDUSSCGKSA-N 1 0 387.318 2.067 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C ZINC000456944992 650368119 /nfs/dbraw/zinc/36/81/19/650368119.db2.gz QKNQUOVIWQOCAF-UHFFFAOYSA-N 1 0 387.571 2.259 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NC(C)(C)C[NH+](C)C)s2)CC1 ZINC000457214475 650374158 /nfs/dbraw/zinc/37/41/58/650374158.db2.gz WROCOOXNEKWBQT-UHFFFAOYSA-N 1 0 387.571 2.239 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c(OC(F)F)c1 ZINC000500461827 650377908 /nfs/dbraw/zinc/37/79/08/650377908.db2.gz OPLONOCROAKASN-SMDDNHRTSA-N 1 0 378.441 2.104 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000500460479 650377969 /nfs/dbraw/zinc/37/79/69/650377969.db2.gz KICURCOERSKYSC-HNNXBMFYSA-N 1 0 389.924 2.270 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000500568443 650380646 /nfs/dbraw/zinc/38/06/46/650380646.db2.gz VSEWBJVNIDMRSC-HIFRSBDPSA-N 1 0 380.432 2.435 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000500568547 650380677 /nfs/dbraw/zinc/38/06/77/650380677.db2.gz HUTDYCXSBGPWMM-QMTHXVAHSA-N 1 0 379.295 2.396 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000500567966 650380683 /nfs/dbraw/zinc/38/06/83/650380683.db2.gz SNQZRPMKVDKCOY-QMTHXVAHSA-N 1 0 379.295 2.396 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000500530707 650380002 /nfs/dbraw/zinc/38/00/02/650380002.db2.gz QFTYKPZUQJMLSF-RISCZKNCSA-N 1 0 379.295 2.396 20 0 GEADRO NC(=O)[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1cccc(Br)c1 ZINC000457514510 650380093 /nfs/dbraw/zinc/38/00/93/650380093.db2.gz OAVVIQYNEZOZIG-INIZCTEOSA-N 1 0 394.313 2.356 20 0 GEADRO COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000500572273 650381034 /nfs/dbraw/zinc/38/10/34/650381034.db2.gz QMTYNQDCHXGTDB-NHYWBVRUSA-N 1 0 391.331 2.265 20 0 GEADRO O=C(Nc1ccncc1I)C1C[NH+](C2CCCCC2)C1 ZINC000457635830 650381932 /nfs/dbraw/zinc/38/19/32/650381932.db2.gz AZEAEZLVDXPSNZ-UHFFFAOYSA-N 1 0 385.249 2.311 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000457877707 650387974 /nfs/dbraw/zinc/38/79/74/650387974.db2.gz OEWIVAAEMJCJIH-KFWWJZLASA-N 1 0 398.345 2.477 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000501484061 650393186 /nfs/dbraw/zinc/39/31/86/650393186.db2.gz WWSSSPIUZHZOIW-OAHLLOKOSA-N 1 0 382.511 2.081 20 0 GEADRO O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000458115409 650395995 /nfs/dbraw/zinc/39/59/95/650395995.db2.gz RXRQJTOGOSHBPA-DYVFJYSZSA-N 1 0 399.304 2.482 20 0 GEADRO CC(C)[C@@H](C(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000458130350 650396830 /nfs/dbraw/zinc/39/68/30/650396830.db2.gz FXWWXEBKIOIKRI-BBRMVZONSA-N 1 0 389.309 2.442 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000501980063 650399734 /nfs/dbraw/zinc/39/97/34/650399734.db2.gz PRNNEWIAQPFEQD-QWHCGFSZSA-N 1 0 381.318 2.223 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000502007586 650400197 /nfs/dbraw/zinc/40/01/97/650400197.db2.gz MFGWPCCGJOKCJJ-KGLIPLIRSA-N 1 0 388.339 2.039 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458388327 650402077 /nfs/dbraw/zinc/40/20/77/650402077.db2.gz YDRWSMVUEXESGR-MRXNPFEDSA-N 1 0 384.318 2.404 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000502606570 650409129 /nfs/dbraw/zinc/40/91/29/650409129.db2.gz VHHDVCZHOWRGHH-HNNXBMFYSA-N 1 0 378.300 2.294 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000502196291 650403009 /nfs/dbraw/zinc/40/30/09/650403009.db2.gz OQMAAMZHVZWILB-UHFFFAOYSA-N 1 0 382.507 2.335 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000458438575 650403800 /nfs/dbraw/zinc/40/38/00/650403800.db2.gz QEPZTRGRVWRWGM-GOEBONIOSA-N 1 0 397.317 2.411 20 0 GEADRO CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CCN(CC(F)(F)F)CC1 ZINC000458500885 650404653 /nfs/dbraw/zinc/40/46/53/650404653.db2.gz JEZMVEUUFCWTNW-HNNXBMFYSA-N 1 0 382.496 2.092 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000502403496 650405905 /nfs/dbraw/zinc/40/59/05/650405905.db2.gz UBGVWRPFVMFJID-CYBMUJFWSA-N 1 0 384.318 2.368 20 0 GEADRO Cc1cccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1Br ZINC000502589904 650408914 /nfs/dbraw/zinc/40/89/14/650408914.db2.gz WCVJCRBGCFYUHF-KBPBESRZSA-N 1 0 384.318 2.354 20 0 GEADRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(CCNC(C)=O)s1)[NH+](C)C ZINC000502667625 650409808 /nfs/dbraw/zinc/40/98/08/650409808.db2.gz QDNWKSTXYAKNNG-MRXNPFEDSA-N 1 0 389.587 2.071 20 0 GEADRO CCC(CC)[C@H](CNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC)[NH+]1CCCC1 ZINC000502967816 650413226 /nfs/dbraw/zinc/41/32/26/650413226.db2.gz YWMWVSWICDRPPF-RDJZCZTQSA-N 1 0 375.579 2.352 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)CCO1 ZINC000458939658 650415148 /nfs/dbraw/zinc/41/51/48/650415148.db2.gz KMHYWURNEDNWJE-CYBMUJFWSA-N 1 0 376.284 2.344 20 0 GEADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000503449147 650417687 /nfs/dbraw/zinc/41/76/87/650417687.db2.gz BNGZUKGMJIXNTB-GVDBMIGSSA-N 1 0 388.599 2.209 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000503503677 650418631 /nfs/dbraw/zinc/41/86/31/650418631.db2.gz HYGDINKAYOEHGN-NXEZZACHSA-N 1 0 395.294 2.358 20 0 GEADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000503544322 650419457 /nfs/dbraw/zinc/41/94/57/650419457.db2.gz ZCRLDONZEZZRAO-HUUCEWRRSA-N 1 0 380.501 2.169 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCc2cccc(Br)c2)CC1 ZINC000459150646 650419599 /nfs/dbraw/zinc/41/95/99/650419599.db2.gz OJBGUHDSROPJCP-UHFFFAOYSA-N 1 0 384.318 2.090 20 0 GEADRO Cc1nc(S(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)sc1C ZINC000503842434 650423138 /nfs/dbraw/zinc/42/31/38/650423138.db2.gz DIVNZMYKBWSNHJ-UHFFFAOYSA-N 1 0 387.571 2.273 20 0 GEADRO COC(=O)CC1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCC1 ZINC000459391928 650423853 /nfs/dbraw/zinc/42/38/53/650423853.db2.gz SMUJHNRIIPCJSW-UHFFFAOYSA-N 1 0 390.299 2.298 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)[C@@H]1SC ZINC000459428972 650424234 /nfs/dbraw/zinc/42/42/34/650424234.db2.gz HHRQCVPVCOZTRK-CWSCBRNRSA-N 1 0 384.976 2.178 20 0 GEADRO CCOc1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc(Br)c1O ZINC000459435746 650424303 /nfs/dbraw/zinc/42/43/03/650424303.db2.gz PEQHHLWVIZKTBA-LLVKDONJSA-N 1 0 378.288 2.220 20 0 GEADRO OCC[NH+]1CCN(Cc2ccc(I)cc2Cl)CC1 ZINC000503954748 650424584 /nfs/dbraw/zinc/42/45/84/650424584.db2.gz YECPLPQEBUSQBV-UHFFFAOYSA-N 1 0 380.657 2.055 20 0 GEADRO Oc1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1Br ZINC000459481572 650425786 /nfs/dbraw/zinc/42/57/86/650425786.db2.gz WWARRENMFBUUIW-INIZCTEOSA-N 1 0 387.343 2.452 20 0 GEADRO Cc1cc(CNC(=O)N[C@@H](C)C[NH+](C)C)ccc1I ZINC000504059797 650426667 /nfs/dbraw/zinc/42/66/67/650426667.db2.gz MRJQERDONPGCSO-NSHDSACASA-N 1 0 375.254 2.349 20 0 GEADRO CCOc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc(Cl)c1O ZINC000459553021 650428766 /nfs/dbraw/zinc/42/87/66/650428766.db2.gz XLNKCNBHRXVTLZ-ZDUSSCGKSA-N 1 0 376.906 2.348 20 0 GEADRO O=C(C[NH2+]C1(CO)CCSCC1)NCCc1cccc(Cl)c1Cl ZINC000459716319 650430828 /nfs/dbraw/zinc/43/08/28/650430828.db2.gz RNLYTJXTODSAGT-UHFFFAOYSA-N 1 0 377.337 2.500 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000459936385 650436096 /nfs/dbraw/zinc/43/60/96/650436096.db2.gz JNXQHVYENHIXPY-CYBMUJFWSA-N 1 0 398.301 2.087 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000505401869 650437272 /nfs/dbraw/zinc/43/72/72/650437272.db2.gz FVQIUYSSSDXBJC-KRWDZBQOSA-N 1 0 375.579 2.158 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000460255625 650440901 /nfs/dbraw/zinc/44/09/01/650440901.db2.gz GGLBXWUKEKVCKL-GOSISDBHSA-N 1 0 396.329 2.237 20 0 GEADRO CC[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)Cc1cccc(Br)c1 ZINC000460272568 650441136 /nfs/dbraw/zinc/44/11/36/650441136.db2.gz ZDXYQKKIHYNFRH-KDOFPFPSSA-N 1 0 398.345 2.384 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000506429309 650445102 /nfs/dbraw/zinc/44/51/02/650445102.db2.gz NPBFCTRZWABLOP-RHSMWYFYSA-N 1 0 386.334 2.382 20 0 GEADRO Cc1ccc(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000460854062 650446955 /nfs/dbraw/zinc/44/69/55/650446955.db2.gz GZFRZNIHIIMXKG-ZDUSSCGKSA-N 1 0 382.302 2.075 20 0 GEADRO C[N@H+](CCCOc1cccc(I)c1)[C@@]1(CO)CCOC1 ZINC000461378318 650453061 /nfs/dbraw/zinc/45/30/61/650453061.db2.gz JYILDCBSFHTFHZ-OAHLLOKOSA-N 1 0 391.249 2.143 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cnc(CC)s2)[C@@H](C)C1 ZINC000460955924 650448723 /nfs/dbraw/zinc/44/87/23/650448723.db2.gz JKPQDJLGHJEJGO-KBPBESRZSA-N 1 0 375.560 2.121 20 0 GEADRO CCN1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)[C@H](C)C1 ZINC000507334435 650458860 /nfs/dbraw/zinc/45/88/60/650458860.db2.gz HIOMEELNZJQPDW-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccncc2Br)C1 ZINC000507239757 650456902 /nfs/dbraw/zinc/45/69/02/650456902.db2.gz SRAKZTDGEVKYRV-CYBMUJFWSA-N 1 0 385.306 2.231 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000461635827 650457853 /nfs/dbraw/zinc/45/78/53/650457853.db2.gz HROGCJGUHYLNSN-NSHDSACASA-N 1 0 390.347 2.477 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Br)c(F)cc1F ZINC000461897918 650462030 /nfs/dbraw/zinc/46/20/30/650462030.db2.gz LDOYRBGRZKEQAF-TVQRCGJNSA-N 1 0 395.269 2.394 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Br)c(F)c1 ZINC000461903882 650462257 /nfs/dbraw/zinc/46/22/57/650462257.db2.gz VVSWHBQVJNQUHW-SMDDNHRTSA-N 1 0 377.279 2.255 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000461927986 650462469 /nfs/dbraw/zinc/46/24/69/650462469.db2.gz YCEYWTFEJVSQJU-UHFFFAOYSA-N 1 0 381.270 2.404 20 0 GEADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C)C[C@@H]1C ZINC000508178174 650476641 /nfs/dbraw/zinc/47/66/41/650476641.db2.gz QBOJQKLYWRYRSA-ZDUSSCGKSA-N 1 0 394.317 2.402 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462395580 650478001 /nfs/dbraw/zinc/47/80/01/650478001.db2.gz MWXXDCNQGXPHNR-LRDDRELGSA-N 1 0 399.276 2.304 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cn1)[N@@H+]1CCCC[C@H]1C ZINC000462442410 650479596 /nfs/dbraw/zinc/47/95/96/650479596.db2.gz TZGNWAZGRFDIJJ-NEPJUHHUSA-N 1 0 376.320 2.385 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000462469762 650480988 /nfs/dbraw/zinc/48/09/88/650480988.db2.gz REYWTXGQXJOBID-CVEARBPZSA-N 1 0 389.587 2.246 20 0 GEADRO CSC1(CNC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC000462512029 650482601 /nfs/dbraw/zinc/48/26/01/650482601.db2.gz OPOQQYMGGFPPNF-ZDUSSCGKSA-N 1 0 382.496 2.092 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N(CC)CCC[NH+](CC)CC ZINC000508203318 650477273 /nfs/dbraw/zinc/47/72/73/650477273.db2.gz HEQXLGQDXQXLIH-QGZVFWFLSA-N 1 0 375.579 2.161 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000509158590 650488233 /nfs/dbraw/zinc/48/82/33/650488233.db2.gz XOHDUVSFTCMZHO-UHFFFAOYSA-N 1 0 396.329 2.141 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000462874642 650491832 /nfs/dbraw/zinc/49/18/32/650491832.db2.gz QJGZHYNOYFLCJN-AAEUAGOBSA-N 1 0 398.301 2.304 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@H]1[NH+]1CCCC1 ZINC000509291055 650492748 /nfs/dbraw/zinc/49/27/48/650492748.db2.gz YHEWLRINGUFEFM-VXGBXAGGSA-N 1 0 398.447 2.443 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(Br)cc1OCCCO ZINC000463370591 650494354 /nfs/dbraw/zinc/49/43/54/650494354.db2.gz WYFWLYXHRBRKJK-UKRRQHHQSA-N 1 0 398.301 2.119 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464347279 650495491 /nfs/dbraw/zinc/49/54/91/650495491.db2.gz AFPWAKXEIIUMGV-MRXNPFEDSA-N 1 0 396.329 2.382 20 0 GEADRO C[C@H](Oc1ccc(I)cc1)C(=O)NCCC[NH+](C)C ZINC000466928304 650499783 /nfs/dbraw/zinc/49/97/83/650499783.db2.gz BKVGHCPFAOWLLE-NSHDSACASA-N 1 0 376.238 2.126 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)C(C)C ZINC000469496019 650510734 /nfs/dbraw/zinc/51/07/34/650510734.db2.gz ORIIWCDPNDXUNU-CABCVRRESA-N 1 0 375.604 2.124 20 0 GEADRO CC(C)[NH+](CCN(C)C(=O)NCc1ccc(S(C)(=O)=O)s1)C(C)C ZINC000468766233 650506764 /nfs/dbraw/zinc/50/67/64/650506764.db2.gz AQHLZYFDJNUZRH-UHFFFAOYSA-N 1 0 375.560 2.412 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(Br)cn1 ZINC000470615365 650514274 /nfs/dbraw/zinc/51/42/74/650514274.db2.gz VTGCIHCUSPDIEE-FRRDWIJNSA-N 1 0 390.347 2.489 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cncc(Br)c1 ZINC000470613390 650514361 /nfs/dbraw/zinc/51/43/61/650514361.db2.gz QFRXBZZPOXWWNA-JHJVBQTASA-N 1 0 390.347 2.489 20 0 GEADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510762581 650518492 /nfs/dbraw/zinc/51/84/92/650518492.db2.gz IDNBCVIEKPBGHX-MELADBBJSA-N 1 0 385.555 2.186 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000471881800 650518107 /nfs/dbraw/zinc/51/81/07/650518107.db2.gz UWZLLBBEAGJKAG-ZDUSSCGKSA-N 1 0 391.921 2.222 20 0 GEADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510798739 650519259 /nfs/dbraw/zinc/51/92/59/650519259.db2.gz SSIDNQRYOGJIPZ-RCBQFDQVSA-N 1 0 387.933 2.425 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000472208443 650520071 /nfs/dbraw/zinc/52/00/71/650520071.db2.gz NSIIGQHPGFIJCR-OAHLLOKOSA-N 1 0 387.571 2.139 20 0 GEADRO C[C@H]([NH2+]CCCOC(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000511011492 650523079 /nfs/dbraw/zinc/52/30/79/650523079.db2.gz LZVALJJDBGKFTL-QMMMGPOBSA-N 1 0 387.246 2.376 20 0 GEADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000511037910 650523736 /nfs/dbraw/zinc/52/37/36/650523736.db2.gz LERARQCXBFYNKG-NSHDSACASA-N 1 0 394.896 2.467 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000475301298 650531497 /nfs/dbraw/zinc/53/14/97/650531497.db2.gz VWJQUCJSBGNAIX-AWEZNQCLSA-N 1 0 386.265 2.292 20 0 GEADRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000511129105 650527599 /nfs/dbraw/zinc/52/75/99/650527599.db2.gz ZZDDDOJRHBFIDH-CYBMUJFWSA-N 1 0 384.527 2.087 20 0 GEADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCn1cc(Br)cn1 ZINC000511231497 650529901 /nfs/dbraw/zinc/52/99/01/650529901.db2.gz PKBGIUAMGGFBAM-UHFFFAOYSA-N 1 0 394.317 2.419 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCn2cc(Br)cn2)C1 ZINC000511247068 650530690 /nfs/dbraw/zinc/53/06/90/650530690.db2.gz FUQADAPDDKTVGH-CQSZACIVSA-N 1 0 384.322 2.019 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1cc(I)ccc1F ZINC000475526539 650534643 /nfs/dbraw/zinc/53/46/43/650534643.db2.gz FWGHJESICZWRNK-UHFFFAOYSA-N 1 0 385.180 2.089 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000511670497 650540661 /nfs/dbraw/zinc/54/06/61/650540661.db2.gz BGVHZNZOEOJEGD-DTWKUNHWSA-N 1 0 390.228 2.265 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000512102833 650545491 /nfs/dbraw/zinc/54/54/91/650545491.db2.gz CRIZWFVDIKIKDR-RYUDHWBXSA-N 1 0 378.274 2.194 20 0 GEADRO CSC1(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000512744445 650553610 /nfs/dbraw/zinc/55/36/10/650553610.db2.gz LVUUYYAAEGSTOL-ZFWWWQNUSA-N 1 0 381.567 2.259 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N[C@@H](C)C[NH+]3CCCCCC3)cnc2c1Cl ZINC000476566751 650554230 /nfs/dbraw/zinc/55/42/30/650554230.db2.gz JINLRWMBMQZLRY-LBPRGKRZSA-N 1 0 385.921 2.234 20 0 GEADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)cc1O ZINC000513001250 650556208 /nfs/dbraw/zinc/55/62/08/650556208.db2.gz CZDTZVGKOLIHHQ-UHFFFAOYSA-N 1 0 384.885 2.431 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c(Br)c1 ZINC000513033615 650556798 /nfs/dbraw/zinc/55/67/98/650556798.db2.gz WTGPRBJBJWQUSN-CYBMUJFWSA-N 1 0 391.331 2.361 20 0 GEADRO C=Cn1cc(C[NH2+]CCNS(=O)(=O)c2cc(C)ccc2Br)cn1 ZINC000513101872 650557888 /nfs/dbraw/zinc/55/78/88/650557888.db2.gz UVSWZIKNLPVIMF-UHFFFAOYSA-N 1 0 399.314 2.123 20 0 GEADRO Cn1c2ccc(C[NH2+]Cc3ccc(S(C)(=O)=O)c(Cl)c3)cc2oc1=O ZINC000513241515 650560248 /nfs/dbraw/zinc/56/02/48/650560248.db2.gz JUFBFZJMIIRKGM-UHFFFAOYSA-N 1 0 380.853 2.478 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000476845935 650561015 /nfs/dbraw/zinc/56/10/15/650561015.db2.gz JSTJUSZABACLSE-KBPBESRZSA-N 1 0 399.329 2.304 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000477112190 650569129 /nfs/dbraw/zinc/56/91/29/650569129.db2.gz ZXKRRVLZRFQPKI-ZDUSSCGKSA-N 1 0 396.329 2.180 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000477189268 650571128 /nfs/dbraw/zinc/57/11/28/650571128.db2.gz PPJPBUYPOLVTEG-SSDOTTSWSA-N 1 0 382.180 2.260 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000477197716 650571572 /nfs/dbraw/zinc/57/15/72/650571572.db2.gz YIAHAADFJZPJMO-STQMWFEESA-N 1 0 385.302 2.313 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000514672880 650576609 /nfs/dbraw/zinc/57/66/09/650576609.db2.gz WXHLPIYXLDFISA-LBPRGKRZSA-N 1 0 377.304 2.268 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514847774 650580627 /nfs/dbraw/zinc/58/06/27/650580627.db2.gz KFFNTDGZINRFLA-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)COc1ccc(I)cc1 ZINC000514855493 650580830 /nfs/dbraw/zinc/58/08/30/650580830.db2.gz GWWLVVAABUMPEL-JRPNMDOOSA-N 1 0 388.249 2.173 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000478528853 650586597 /nfs/dbraw/zinc/58/65/97/650586597.db2.gz SRMRFXCGZAOIPT-LLVKDONJSA-N 1 0 378.336 2.355 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000514900180 650582965 /nfs/dbraw/zinc/58/29/65/650582965.db2.gz POEDAQVNJJZXKM-SMDDNHRTSA-N 1 0 380.286 2.333 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Br)cn1 ZINC000515027390 650584755 /nfs/dbraw/zinc/58/47/55/650584755.db2.gz XXRKSWRNNNPEPD-NSHDSACASA-N 1 0 388.331 2.451 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO1 ZINC000478619418 650588839 /nfs/dbraw/zinc/58/88/39/650588839.db2.gz KKQFZBOEAGUTSJ-SNVBAGLBSA-N 1 0 392.321 2.072 20 0 GEADRO CN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000478843254 650591899 /nfs/dbraw/zinc/59/18/99/650591899.db2.gz HJBMACIRCKJFSD-OAHLLOKOSA-N 1 0 385.917 2.296 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)c1csc(CC[NH3+])n1 ZINC000479090877 650595786 /nfs/dbraw/zinc/59/57/86/650595786.db2.gz PMEDYTGYBVFYTQ-UHFFFAOYSA-N 1 0 397.298 2.118 20 0 GEADRO O=C(CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Nc1ccc(Br)cc1 ZINC000516261503 650596237 /nfs/dbraw/zinc/59/62/37/650596237.db2.gz KEVORGBSQGGTAT-CHWSQXEVSA-N 1 0 395.301 2.029 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC[S@@](=O)C1 ZINC000516730668 650601098 /nfs/dbraw/zinc/60/10/98/650601098.db2.gz LJBWSTMUCYAWTA-KDSLSZQZSA-N 1 0 383.945 2.495 20 0 GEADRO COCCCS(=O)(=O)NCCS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518184099 650602583 /nfs/dbraw/zinc/60/25/83/650602583.db2.gz ZQRVPNJPRNHOKQ-GOSISDBHSA-N 1 0 386.583 2.340 20 0 GEADRO CSc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000479413671 650603028 /nfs/dbraw/zinc/60/30/28/650603028.db2.gz VPIVDTOWZARWDB-QAPCUYQASA-N 1 0 383.583 2.055 20 0 GEADRO CSc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000479413670 650603084 /nfs/dbraw/zinc/60/30/84/650603084.db2.gz VPIVDTOWZARWDB-MAUKXSAKSA-N 1 0 383.583 2.055 20 0 GEADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(NC[C@@]2([NH+](C)C)CCSC2)nc1 ZINC000479446762 650603819 /nfs/dbraw/zinc/60/38/19/650603819.db2.gz OJUGBRRWXPNGMO-PBHICJAKSA-N 1 0 386.587 2.398 20 0 GEADRO CC(C)CCNS(=O)(=O)c1ccc(NC[C@]2([NH+](C)C)CCSC2)nc1 ZINC000479479598 650604805 /nfs/dbraw/zinc/60/48/05/650604805.db2.gz ZIJSKRPSDWLMKJ-QGZVFWFLSA-N 1 0 386.587 2.255 20 0 GEADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)[C@H]1CCCO1 ZINC000518413301 650605021 /nfs/dbraw/zinc/60/50/21/650605021.db2.gz WUVSLMZPRQIWNE-GXTWGEPZSA-N 1 0 391.331 2.275 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000518783313 650607700 /nfs/dbraw/zinc/60/77/00/650607700.db2.gz HMPUHLTYEBWBSY-UHFFFAOYSA-N 1 0 383.286 2.309 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000519246429 650608653 /nfs/dbraw/zinc/60/86/53/650608653.db2.gz SFUMCINCXVMUNP-ZDUSSCGKSA-N 1 0 380.901 2.261 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCN(c3nccs3)CC2)cc1 ZINC000519617774 650609761 /nfs/dbraw/zinc/60/97/61/650609761.db2.gz NNQSYBNDOOESNA-UHFFFAOYSA-N 1 0 380.539 2.106 20 0 GEADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000519698372 650610700 /nfs/dbraw/zinc/61/07/00/650610700.db2.gz GGXUORFMOQTLMH-HOCLYGCPSA-N 1 0 385.302 2.037 20 0 GEADRO CC[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000519714055 650611417 /nfs/dbraw/zinc/61/14/17/650611417.db2.gz RNCRFCBAEZVHQI-ZDUSSCGKSA-N 1 0 382.302 2.226 20 0 GEADRO COc1cc2c(NCCS(=O)(=O)N3CCSCC3)cc[nH+]c2cc1F ZINC000479999433 650614065 /nfs/dbraw/zinc/61/40/65/650614065.db2.gz ZHLHTZUQPRXYNY-UHFFFAOYSA-N 1 0 385.486 2.173 20 0 GEADRO CSC[C@H](CCO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480169883 650616939 /nfs/dbraw/zinc/61/69/39/650616939.db2.gz MYIVAASXSZMTNJ-AAEUAGOBSA-N 1 0 394.356 2.371 20 0 GEADRO C[C@H](CC[S@](C)=O)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480194917 650617511 /nfs/dbraw/zinc/61/75/11/650617511.db2.gz IGJHPOMQATTZPA-FBWDIHGXSA-N 1 0 394.356 2.414 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000521939759 650620438 /nfs/dbraw/zinc/62/04/38/650620438.db2.gz GBAZRDVNHWCJAX-AWEZNQCLSA-N 1 0 386.334 2.216 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000480774339 650631942 /nfs/dbraw/zinc/63/19/42/650631942.db2.gz ZQVITNVUHHQDQT-UHFFFAOYSA-N 1 0 383.901 2.496 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000480710643 650628959 /nfs/dbraw/zinc/62/89/59/650628959.db2.gz PIGQJRBTXFECCC-SNVBAGLBSA-N 1 0 379.885 2.446 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000480721013 650629194 /nfs/dbraw/zinc/62/91/94/650629194.db2.gz UOVAELCTIQDMLV-ZIAGYGMSSA-N 1 0 382.473 2.458 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1n[nH]cc1Br ZINC000523432568 650634744 /nfs/dbraw/zinc/63/47/44/650634744.db2.gz RLOAIZMZDRFDRO-CYBMUJFWSA-N 1 0 380.290 2.144 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000523684035 650637004 /nfs/dbraw/zinc/63/70/04/650637004.db2.gz YVBZBDCIWCXJIR-KBRIMQKVSA-N 1 0 380.330 2.305 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(Cl)c1F ZINC000523703467 650637371 /nfs/dbraw/zinc/63/73/71/650637371.db2.gz XYYOOLMPUWHIGE-UHFFFAOYSA-N 1 0 394.896 2.373 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)NCCC[NH2+]C1CCCCC1 ZINC000524235788 650639651 /nfs/dbraw/zinc/63/96/51/650639651.db2.gz PIOZTTZFWGBCBD-UHFFFAOYSA-N 1 0 386.290 2.201 20 0 GEADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000481404845 650645786 /nfs/dbraw/zinc/64/57/86/650645786.db2.gz OPUUUGXSJIKXCB-HNNXBMFYSA-N 1 0 383.286 2.435 20 0 GEADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000481394579 650645818 /nfs/dbraw/zinc/64/58/18/650645818.db2.gz WUHUZLSFJUDIMO-CQSZACIVSA-N 1 0 393.372 2.473 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCCOc2ccccc2Br)C1 ZINC000524608696 650644050 /nfs/dbraw/zinc/64/40/50/650644050.db2.gz LTEJMFNOJCNHAG-CQSZACIVSA-N 1 0 385.302 2.445 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC[NH2+]C(C)(C)C ZINC000524815714 650646664 /nfs/dbraw/zinc/64/66/64/650646664.db2.gz MHHKYEBEOYYENR-VIFPVBQESA-N 1 0 376.320 2.133 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000524920454 650648417 /nfs/dbraw/zinc/64/84/17/650648417.db2.gz DUNNAIOCYAABFB-CABCVRRESA-N 1 0 382.302 2.061 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000525086426 650649618 /nfs/dbraw/zinc/64/96/18/650649618.db2.gz OYDABWNFAISGIK-UHFFFAOYSA-N 1 0 380.432 2.437 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCOC1 ZINC000481819174 650653988 /nfs/dbraw/zinc/65/39/88/650653988.db2.gz WCUZNBNIQCWLQJ-HUUCEWRRSA-N 1 0 380.286 2.369 20 0 GEADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000481849205 650654472 /nfs/dbraw/zinc/65/44/72/650654472.db2.gz VJXXMFZOHVVVJN-MRXNPFEDSA-N 1 0 382.346 2.476 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482358924 650664648 /nfs/dbraw/zinc/66/46/48/650664648.db2.gz FJLWXJNEQBZMEU-UONOGXRCSA-N 1 0 378.826 2.488 20 0 GEADRO NC(=O)C1([NH2+]CCOc2c(Br)cccc2Br)CC1 ZINC000482813110 650668840 /nfs/dbraw/zinc/66/88/40/650668840.db2.gz ZPWRHEHDSCUHRS-UHFFFAOYSA-N 1 0 378.064 2.198 20 0 GEADRO C[C@H]1CN(C(=O)c2ncsc2C(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000526920832 650664749 /nfs/dbraw/zinc/66/47/49/650664749.db2.gz GNBMFPNMBWNIOF-RYUDHWBXSA-N 1 0 376.448 2.260 20 0 GEADRO C[C@H]1CN(C(=O)c2ncsc2C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000526920831 650664764 /nfs/dbraw/zinc/66/47/64/650664764.db2.gz GNBMFPNMBWNIOF-NWDGAFQWSA-N 1 0 376.448 2.260 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000482434522 650665409 /nfs/dbraw/zinc/66/54/09/650665409.db2.gz GWNTZZSGEWBGOV-INIZCTEOSA-N 1 0 384.293 2.329 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000482602158 650665632 /nfs/dbraw/zinc/66/56/32/650665632.db2.gz GQQCDBZRDKMKLY-CXAGYDPISA-N 1 0 383.323 2.078 20 0 GEADRO Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)c(-n2cc(Cl)cn2)n1 ZINC000527054392 650666788 /nfs/dbraw/zinc/66/67/88/650666788.db2.gz PFQKFCHJWMZKCZ-OAHLLOKOSA-N 1 0 379.917 2.283 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(Br)s2)[C@@H](C)C1 ZINC000482702877 650667050 /nfs/dbraw/zinc/66/70/50/650667050.db2.gz AOJHYWWIRCTISB-WDEREUQCSA-N 1 0 376.320 2.107 20 0 GEADRO CCOC[C@H](O)C[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000482731023 650667451 /nfs/dbraw/zinc/66/74/51/650667451.db2.gz HPZJXBRTFGFJBG-OAHLLOKOSA-N 1 0 375.282 2.103 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000527224096 650671573 /nfs/dbraw/zinc/67/15/73/650671573.db2.gz OHPVBKOCIJDPGO-SWLSCSKDSA-N 1 0 397.317 2.005 20 0 GEADRO CC(C)(CNC(=O)c1cc(I)c[nH]1)C[NH+]1CCCC1 ZINC000482995979 650672897 /nfs/dbraw/zinc/67/28/97/650672897.db2.gz XVUJMCGUJGKGBG-UHFFFAOYSA-N 1 0 375.254 2.471 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000527939021 650683330 /nfs/dbraw/zinc/68/33/30/650683330.db2.gz ZYXMSZILQGSKKR-FZMZJTMJSA-N 1 0 376.404 2.245 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1Br ZINC000483959202 650683548 /nfs/dbraw/zinc/68/35/48/650683548.db2.gz LJXNIONUXYRCGC-CMPLNLGQSA-N 1 0 386.265 2.434 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cncc(Br)c1 ZINC000527957073 650683609 /nfs/dbraw/zinc/68/36/09/650683609.db2.gz RSLLNFCRMZRYOD-SUMWQHHRSA-N 1 0 384.318 2.111 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ncc(Cl)cc1Br ZINC000527676072 650681897 /nfs/dbraw/zinc/68/18/97/650681897.db2.gz WENKUQUGKVQSRG-CABZTGNLSA-N 1 0 396.738 2.305 20 0 GEADRO O=C(CNC(=O)NC1CC[NH+](C2CC2)CC1)Nc1cccc(Br)c1 ZINC000483875786 650682696 /nfs/dbraw/zinc/68/26/96/650682696.db2.gz HEUKKXRPWSCIJJ-UHFFFAOYSA-N 1 0 395.301 2.314 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1Br ZINC000483879029 650682706 /nfs/dbraw/zinc/68/27/06/650682706.db2.gz JJGUPQJBFYHJML-LBPRGKRZSA-N 1 0 386.265 2.292 20 0 GEADRO C[C@@]1(Br)C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000527912382 650682824 /nfs/dbraw/zinc/68/28/24/650682824.db2.gz RKVGNMFUBCASFH-FUHWJXTLSA-N 1 0 380.330 2.488 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000528298494 650687712 /nfs/dbraw/zinc/68/77/12/650687712.db2.gz FCSIVMKPVQHCHS-UHFFFAOYSA-N 1 0 382.452 2.372 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000484647635 650688520 /nfs/dbraw/zinc/68/85/20/650688520.db2.gz KAGDVZJEPCSEDB-HUUCEWRRSA-N 1 0 392.315 2.006 20 0 GEADRO C[C@]1(Br)C[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000528341800 650689238 /nfs/dbraw/zinc/68/92/38/650689238.db2.gz XRBWEKWGVVXGLA-SIIHOXLZSA-N 1 0 394.313 2.496 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528343247 650689602 /nfs/dbraw/zinc/68/96/02/650689602.db2.gz VXHRVWRSCPIUBS-IJLUTSLNSA-N 1 0 382.452 2.084 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000484973742 650691578 /nfs/dbraw/zinc/69/15/78/650691578.db2.gz ZQQLVDXHUVWQFV-APHBMKBZSA-N 1 0 394.313 2.310 20 0 GEADRO Cc1cc(I)cc(NC(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000528686974 650697917 /nfs/dbraw/zinc/69/79/17/650697917.db2.gz BSUSSJUWUPSOKO-UHFFFAOYSA-N 1 0 389.237 2.229 20 0 GEADRO C[C@@H]1C[NH+](C[C@@H](O)CN(C)Cc2ccc(F)cc2Br)C[C@@H](C)O1 ZINC000485008044 650692068 /nfs/dbraw/zinc/69/20/68/650692068.db2.gz UOUCCLBFBSWXOB-IOASZLSFSA-N 1 0 389.309 2.490 20 0 GEADRO C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2C[C@@]2(C)Br)c2ccccc2)CC1 ZINC000528395551 650692389 /nfs/dbraw/zinc/69/23/89/650692389.db2.gz KRBNCOXWFOAVQH-XYJFISCASA-N 1 0 380.330 2.265 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1cc(Br)cnc1OCC1CC1 ZINC000485631709 650698350 /nfs/dbraw/zinc/69/83/50/650698350.db2.gz OZJRJDPPOQTHBK-UHFFFAOYSA-N 1 0 391.269 2.292 20 0 GEADRO CN(C)C[C@H](NS(=O)(=O)c1ccn(C)n1)c1ccc(Cl)c(Cl)c1 ZINC000528552214 650696383 /nfs/dbraw/zinc/69/63/83/650696383.db2.gz YXYFVCMWRPNCIV-ZDUSSCGKSA-N 1 0 377.297 2.308 20 0 GEADRO O=C(Nc1cncc(Br)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528684579 650697742 /nfs/dbraw/zinc/69/77/42/650697742.db2.gz FHSCSHIKRNNQJC-HNNXBMFYSA-N 1 0 383.290 2.467 20 0 GEADRO COc1ccc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1Br ZINC000485794895 650700337 /nfs/dbraw/zinc/70/03/37/650700337.db2.gz WRCRXMYKFOBUHO-NSHDSACASA-N 1 0 379.258 2.188 20 0 GEADRO CC[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)OC)c1cc(F)cc(Br)c1 ZINC000485804208 650700884 /nfs/dbraw/zinc/70/08/84/650700884.db2.gz GUXOTLKCMZKNRI-ZANVPECISA-N 1 0 375.238 2.307 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000529056840 650701118 /nfs/dbraw/zinc/70/11/18/650701118.db2.gz AEMJIPKMXMCSQE-GFCCVEGCSA-N 1 0 383.290 2.286 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000485875460 650701533 /nfs/dbraw/zinc/70/15/33/650701533.db2.gz ZDVZQFNMXYACMA-OLZOCXBDSA-N 1 0 384.307 2.476 20 0 GEADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)NC[C@H]1COCC[NH2+]1 ZINC000529318059 650702730 /nfs/dbraw/zinc/70/27/30/650702730.db2.gz VAORQKCUKKHQST-JTQLQIEISA-N 1 0 384.210 2.382 20 0 GEADRO O=C(NCc1ccc(Br)cc1C(F)(F)F)NC[C@@H]1COCC[NH2+]1 ZINC000529320818 650702734 /nfs/dbraw/zinc/70/27/34/650702734.db2.gz MQXLPXXDMFBZHG-LLVKDONJSA-N 1 0 396.207 2.256 20 0 GEADRO [NH3+]CC1(NC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)CCOCC1 ZINC000529330765 650702847 /nfs/dbraw/zinc/70/28/47/650702847.db2.gz MOKGAPPBLBSPOM-CYBMUJFWSA-N 1 0 386.265 2.383 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529347701 650703226 /nfs/dbraw/zinc/70/32/26/650703226.db2.gz BBLUBZVWTIYCGT-GJZGRUSLSA-N 1 0 382.302 2.409 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529350470 650703551 /nfs/dbraw/zinc/70/35/51/650703551.db2.gz JQJPRIWVEHIKTO-ZIAGYGMSSA-N 1 0 386.265 2.205 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(Br)c(F)c1F ZINC000529878695 650708318 /nfs/dbraw/zinc/70/83/18/650708318.db2.gz TULMDVVLKQCISJ-JTQLQIEISA-N 1 0 377.229 2.312 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncccc2I)C1 ZINC000486424326 650713356 /nfs/dbraw/zinc/71/33/56/650713356.db2.gz MVNUZGABKGGDNV-GFCCVEGCSA-N 1 0 375.254 2.455 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000486563176 650715342 /nfs/dbraw/zinc/71/53/42/650715342.db2.gz HIFMKEYRJXBBNX-UHFFFAOYSA-N 1 0 390.933 2.470 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240939 650719448 /nfs/dbraw/zinc/71/94/48/650719448.db2.gz NWDXXFGLJNZWBR-HNNXBMFYSA-N 1 0 385.961 2.450 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2nc(SC)ncc2Cl)CC1 ZINC000530316334 650720525 /nfs/dbraw/zinc/72/05/25/650720525.db2.gz VSMWYWAMFUJHGF-UHFFFAOYSA-N 1 0 379.873 2.218 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000530353505 650722723 /nfs/dbraw/zinc/72/27/23/650722723.db2.gz ARLHCLBHMWRTFG-DOMZBBRYSA-N 1 0 392.290 2.443 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000530353507 650722843 /nfs/dbraw/zinc/72/28/43/650722843.db2.gz ARLHCLBHMWRTFG-SWLSCSKDSA-N 1 0 392.290 2.443 20 0 GEADRO CC[NH+](CC)CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000487531324 650735194 /nfs/dbraw/zinc/73/51/94/650735194.db2.gz CRFXVRVWBGYZRQ-CQSZACIVSA-N 1 0 376.270 2.263 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531331942 650737028 /nfs/dbraw/zinc/73/70/28/650737028.db2.gz CHURLRDMZAJMCZ-NSHDSACASA-N 1 0 391.331 2.386 20 0 GEADRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000531441948 650738519 /nfs/dbraw/zinc/73/85/19/650738519.db2.gz JHYNILJVOVHGSJ-UHFFFAOYSA-N 1 0 378.274 2.408 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+]C[C@@](C)(O)CN1CCOCC1 ZINC000531785612 650744412 /nfs/dbraw/zinc/74/44/12/650744412.db2.gz UYOYQQQUKFONIV-MRXNPFEDSA-N 1 0 389.359 2.344 20 0 GEADRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000531682906 650742869 /nfs/dbraw/zinc/74/28/69/650742869.db2.gz MRMFPSOZCHAOCH-AWEZNQCLSA-N 1 0 384.523 2.473 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000007923214 642346105 /nfs/dbraw/zinc/34/61/05/642346105.db2.gz NWLOEGWZKJVIRH-UHFFFAOYSA-N 1 0 387.933 2.196 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCO[C@H](C)C1 ZINC000532485062 650748656 /nfs/dbraw/zinc/74/86/56/650748656.db2.gz LWISKEXQCQFJAJ-ZIAGYGMSSA-N 1 0 384.318 2.477 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@H]21 ZINC000532649691 650751977 /nfs/dbraw/zinc/75/19/77/650751977.db2.gz CCBKBFDDFUJFND-XJKSGUPXSA-N 1 0 391.313 2.373 20 0 GEADRO O=C(COC(=O)c1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000028151195 642445603 /nfs/dbraw/zinc/44/56/03/642445603.db2.gz GSEVUGKHIFMTPS-UHFFFAOYSA-N 1 0 381.270 2.349 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000489118422 650754880 /nfs/dbraw/zinc/75/48/80/650754880.db2.gz SWJCPTKWEBUELZ-GFCCVEGCSA-N 1 0 386.901 2.279 20 0 GEADRO CCC[N@H+](CCC(=O)NC(=O)NC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000029973872 642472698 /nfs/dbraw/zinc/47/26/98/642472698.db2.gz FXNISJYQPVCFGM-UHFFFAOYSA-N 1 0 389.283 2.490 20 0 GEADRO CC[N@H+](CCCO)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000489389496 650758323 /nfs/dbraw/zinc/75/83/23/650758323.db2.gz KNNFLOJXKAHCJU-NSHDSACASA-N 1 0 376.238 2.323 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000031890241 642491658 /nfs/dbraw/zinc/49/16/58/642491658.db2.gz XPEPTMCKJCFUTE-CYBMUJFWSA-N 1 0 394.313 2.403 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000489407729 650758890 /nfs/dbraw/zinc/75/88/90/650758890.db2.gz URGHVFABBLOMKT-IXPVHAAZSA-N 1 0 388.281 2.404 20 0 GEADRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000041066290 642524689 /nfs/dbraw/zinc/52/46/89/642524689.db2.gz TUEZSQJFTAVKAI-UHFFFAOYSA-N 1 0 382.711 2.212 20 0 GEADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000041069780 642525607 /nfs/dbraw/zinc/52/56/07/642525607.db2.gz PXCGTMVSLUFHAY-UHFFFAOYSA-N 1 0 396.738 2.460 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000041324105 642528740 /nfs/dbraw/zinc/52/87/40/642528740.db2.gz IKGVINIFFVIROP-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO CNc1nnc(S[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000042467834 642553092 /nfs/dbraw/zinc/55/30/92/642553092.db2.gz HRINYWIUNTXJHJ-OCCSQVGLSA-N 1 0 377.539 2.451 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000043085361 642558489 /nfs/dbraw/zinc/55/84/89/642558489.db2.gz HSDYZNDQCLPIHR-OLZOCXBDSA-N 1 0 387.933 2.241 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000043453131 642560344 /nfs/dbraw/zinc/56/03/44/642560344.db2.gz DWSHUCGKNRRZPZ-UHFFFAOYSA-N 1 0 375.441 2.488 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490053462 650767073 /nfs/dbraw/zinc/76/70/73/650767073.db2.gz KDSPDQVVKWBVBQ-VIFPVBQESA-N 1 0 383.283 2.073 20 0 GEADRO CC[C@@H](CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCCC1 ZINC000044131686 642570181 /nfs/dbraw/zinc/57/01/81/642570181.db2.gz VUVAPFATUHBQIW-HNNXBMFYSA-N 1 0 384.571 2.098 20 0 GEADRO CC(C)C[C@@H](CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+](C)C ZINC000044157246 642570204 /nfs/dbraw/zinc/57/02/04/642570204.db2.gz SAYIQOYHWQSDMP-HNNXBMFYSA-N 1 0 386.587 2.200 20 0 GEADRO CC(C)[NH+](CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)C(C)C ZINC000044188888 642570696 /nfs/dbraw/zinc/57/06/96/642570696.db2.gz BJBSZDFVRBAXFX-UHFFFAOYSA-N 1 0 395.978 2.257 20 0 GEADRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000489730098 650762905 /nfs/dbraw/zinc/76/29/05/650762905.db2.gz BDRJDZLRIYSFIF-UHFFFAOYSA-N 1 0 379.320 2.468 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000045429331 642591390 /nfs/dbraw/zinc/59/13/90/642591390.db2.gz XNZKBHBNGVSASX-UHFFFAOYSA-N 1 0 379.917 2.440 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCNc1ccc(C(F)(F)F)cn1 ZINC000046102968 642604029 /nfs/dbraw/zinc/60/40/29/642604029.db2.gz CVWCAGWBTPELQZ-CYBMUJFWSA-N 1 0 375.464 2.461 20 0 GEADRO Cc1c(Cl)cc(F)c(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1F ZINC000534194973 650770362 /nfs/dbraw/zinc/77/03/62/650770362.db2.gz CCCQBWJGONKRIQ-MRXNPFEDSA-N 1 0 391.871 2.419 20 0 GEADRO C[NH+](C)CCOCCNC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000490238191 650770392 /nfs/dbraw/zinc/77/03/92/650770392.db2.gz GUULJEPYNLRJIF-UHFFFAOYSA-N 1 0 384.318 2.402 20 0 GEADRO Cc1c(Cl)cc(F)c(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1F ZINC000534194972 650770407 /nfs/dbraw/zinc/77/04/07/650770407.db2.gz CCCQBWJGONKRIQ-INIZCTEOSA-N 1 0 391.871 2.419 20 0 GEADRO CC1CC[NH+](CCNC(=O)NNC(=O)c2ccccc2Br)CC1 ZINC000046372048 642611352 /nfs/dbraw/zinc/61/13/52/642611352.db2.gz ZNBJSBFVVZOZMN-UHFFFAOYSA-N 1 0 383.290 2.125 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000046858750 642617700 /nfs/dbraw/zinc/61/77/00/642617700.db2.gz VGWZWIXYKMLPNN-LBPRGKRZSA-N 1 0 393.962 2.013 20 0 GEADRO O=C(NNC(=O)c1ccccc1Br)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047106369 642621825 /nfs/dbraw/zinc/62/18/25/642621825.db2.gz VJGUFQAZSCTRMB-UONOGXRCSA-N 1 0 381.274 2.020 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000048106480 642643812 /nfs/dbraw/zinc/64/38/12/642643812.db2.gz ZAHZTQVLKVNLDS-HNNXBMFYSA-N 1 0 387.571 2.138 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000048217951 642647018 /nfs/dbraw/zinc/64/70/18/642647018.db2.gz BMYYCVKHEYCLHX-LBPRGKRZSA-N 1 0 391.281 2.440 20 0 GEADRO NC(=O)[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000534401050 650773944 /nfs/dbraw/zinc/77/39/44/650773944.db2.gz AAZYZIUWNHVFKX-OAHLLOKOSA-N 1 0 375.270 2.475 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000048606308 642656071 /nfs/dbraw/zinc/65/60/71/642656071.db2.gz GDYDNWRJHFNOJZ-UHFFFAOYSA-N 1 0 396.207 2.474 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)[NH+]1CCCC1 ZINC000534065254 650768763 /nfs/dbraw/zinc/76/87/63/650768763.db2.gz FCZHMPIUALMXKD-LBPRGKRZSA-N 1 0 378.274 2.244 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cccc(I)c2)C[C@@H]1[NH+](C)C ZINC000534092287 650768921 /nfs/dbraw/zinc/76/89/21/650768921.db2.gz ZRYMXJKCNBDVBS-QWHCGFSZSA-N 1 0 390.290 2.409 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163557 642677099 /nfs/dbraw/zinc/67/70/99/642677099.db2.gz VALCVKPMYREPQT-WDEREUQCSA-N 1 0 377.304 2.124 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000050163605 642677765 /nfs/dbraw/zinc/67/77/65/642677765.db2.gz GRFUBGIBSZXZTQ-WDEREUQCSA-N 1 0 377.304 2.124 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000050203657 642678310 /nfs/dbraw/zinc/67/83/10/642678310.db2.gz CXCZDTZXEXSGIH-AWEZNQCLSA-N 1 0 380.286 2.393 20 0 GEADRO C[NH+](C)[C@H](CNS(=O)(=O)c1cncc(Br)c1)Cc1ccccc1 ZINC000534522906 650777054 /nfs/dbraw/zinc/77/70/54/650777054.db2.gz CTXMHRJSPMALNL-HNNXBMFYSA-N 1 0 398.326 2.295 20 0 GEADRO Cc1cc(N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)nc(N)[nH+]1 ZINC000052451249 642719296 /nfs/dbraw/zinc/71/92/96/642719296.db2.gz ZCOGJTKPQPGLKZ-LLVKDONJSA-N 1 0 391.273 2.380 20 0 GEADRO CS[C@H]1CN(C(=O)c2csc(I)c2)C[C@H]1[NH+](C)C ZINC000534828331 650780964 /nfs/dbraw/zinc/78/09/64/650780964.db2.gz YKPOPQLJSRGCQL-ZJUUUORDSA-N 1 0 396.319 2.470 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000490959680 650781547 /nfs/dbraw/zinc/78/15/47/650781547.db2.gz GIBOWHYASBLMGF-UHFFFAOYSA-N 1 0 385.306 2.419 20 0 GEADRO COC(=O)C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000054819901 642761788 /nfs/dbraw/zinc/76/17/88/642761788.db2.gz BQDMHRSFFSOGJZ-OAHLLOKOSA-N 1 0 398.301 2.447 20 0 GEADRO C[N@H+](CCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000491856782 650789046 /nfs/dbraw/zinc/78/90/46/650789046.db2.gz JRABVSUTJRIDCJ-ZDUSSCGKSA-N 1 0 381.318 2.421 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCn1ccnc1 ZINC000056555855 642795671 /nfs/dbraw/zinc/79/56/71/642795671.db2.gz BJYDKQCVPRAIIS-UHFFFAOYSA-N 1 0 394.317 2.419 20 0 GEADRO COC(=O)N(C)CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000056997036 642799943 /nfs/dbraw/zinc/79/99/43/642799943.db2.gz QLXVKADKRBSTLV-UHFFFAOYSA-N 1 0 386.290 2.038 20 0 GEADRO CC[NH+](CC)CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000057198146 642808246 /nfs/dbraw/zinc/80/82/46/642808246.db2.gz PTYICZOQNGMTCU-UHFFFAOYSA-N 1 0 385.306 2.419 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cnccn2)CC1 ZINC000057468776 642813104 /nfs/dbraw/zinc/81/31/04/642813104.db2.gz CZVPHPYFQARUOC-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000491227839 650784407 /nfs/dbraw/zinc/78/44/07/650784407.db2.gz JLCWVKSLDGVPLC-UHFFFAOYSA-N 1 0 394.313 2.138 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000535072011 650784505 /nfs/dbraw/zinc/78/45/05/650784505.db2.gz IJQZPMBDGSTIFT-LBPRGKRZSA-N 1 0 380.329 2.074 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000491247764 650784568 /nfs/dbraw/zinc/78/45/68/650784568.db2.gz GDPHUDKVSNVVIS-STQMWFEESA-N 1 0 396.285 2.139 20 0 GEADRO CC(C)([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000057846483 642819474 /nfs/dbraw/zinc/81/94/74/642819474.db2.gz JLPQFAKDWLIPJS-UHFFFAOYSA-N 1 0 381.885 2.451 20 0 GEADRO O=C(NCC[NH+]1CCCCCC1)C(=O)N1CCc2ccc(Br)cc21 ZINC000491299180 650785206 /nfs/dbraw/zinc/78/52/06/650785206.db2.gz YNCPBZMEZZEVOG-UHFFFAOYSA-N 1 0 394.313 2.330 20 0 GEADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCC[NH+]1CCCCCC1 ZINC000059403129 642831639 /nfs/dbraw/zinc/83/16/39/642831639.db2.gz GIYKOKCAPNNLBG-UHFFFAOYSA-N 1 0 387.933 2.001 20 0 GEADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Br)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000060092808 642833403 /nfs/dbraw/zinc/83/34/03/642833403.db2.gz PVNZHUWJOWZWRL-NEPJUHHUSA-N 1 0 386.290 2.009 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCS(C)(=O)=O ZINC000062423059 642847854 /nfs/dbraw/zinc/84/78/54/642847854.db2.gz ZREFYPMVDKHIRM-UHFFFAOYSA-N 1 0 386.315 2.386 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000062368142 642847908 /nfs/dbraw/zinc/84/79/08/642847908.db2.gz ZBEUCCRSFSEIRF-UHFFFAOYSA-N 1 0 397.317 2.371 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000063054842 642851508 /nfs/dbraw/zinc/85/15/08/642851508.db2.gz WGMUAASIFNAPDW-UHFFFAOYSA-N 1 0 377.304 2.174 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000063168846 642853403 /nfs/dbraw/zinc/85/34/03/642853403.db2.gz AQPAWWXBLJWLDK-AWEZNQCLSA-N 1 0 375.332 2.297 20 0 GEADRO C[NH+]1CCC(NC(=S)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000063150317 642853409 /nfs/dbraw/zinc/85/34/09/642853409.db2.gz FSRMWDYMCBTOQB-UHFFFAOYSA-N 1 0 399.358 2.336 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1cccc(I)c1 ZINC000063195411 642854457 /nfs/dbraw/zinc/85/44/57/642854457.db2.gz KZUMLJVHFOZYHR-SMDDNHRTSA-N 1 0 387.265 2.431 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1cccc(I)c1 ZINC000063195410 642854591 /nfs/dbraw/zinc/85/45/91/642854591.db2.gz KZUMLJVHFOZYHR-RISCZKNCSA-N 1 0 387.265 2.431 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000063727135 642862334 /nfs/dbraw/zinc/86/23/34/642862334.db2.gz BQYWSEABHJDLJU-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000535980352 650792814 /nfs/dbraw/zinc/79/28/14/650792814.db2.gz LGSWBXMGNLSSTE-MCIONIFRSA-N 1 0 394.313 2.353 20 0 GEADRO COc1ccc(Br)cc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000535983854 650792891 /nfs/dbraw/zinc/79/28/91/650792891.db2.gz RXHKBNKACNDEMR-UHFFFAOYSA-N 1 0 394.269 2.433 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000065639257 642882991 /nfs/dbraw/zinc/88/29/91/642882991.db2.gz BEMBDWPHEXQUQF-LLVKDONJSA-N 1 0 386.265 2.373 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)c2nc3ncc(Br)cn3n2)c1 ZINC000065637145 642883042 /nfs/dbraw/zinc/88/30/42/642883042.db2.gz MIHFUKVQLYMXTB-UHFFFAOYSA-N 1 0 375.230 2.201 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066223682 642901699 /nfs/dbraw/zinc/90/16/99/642901699.db2.gz PTTULSURKXKLFX-AWEZNQCLSA-N 1 0 380.286 2.393 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000493920360 650799068 /nfs/dbraw/zinc/79/90/68/650799068.db2.gz OTJHCMOSDBGBIH-WBMJQRKESA-N 1 0 384.293 2.025 20 0 GEADRO C[C@@H](C1CC1)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000066914664 642949427 /nfs/dbraw/zinc/94/94/27/642949427.db2.gz CLDHXNDRJBDGHJ-ZDUSSCGKSA-N 1 0 375.485 2.304 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000067593364 642973430 /nfs/dbraw/zinc/97/34/30/642973430.db2.gz LDWNWYNLPPAVBX-UHFFFAOYSA-N 1 0 396.329 2.416 20 0 GEADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)COCc1ccco1 ZINC000494245523 650802682 /nfs/dbraw/zinc/80/26/82/650802682.db2.gz RUWPVGADQHOWDL-CYBMUJFWSA-N 1 0 390.299 2.476 20 0 GEADRO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C[C@@H](O)C(F)(F)F ZINC000494249678 650802706 /nfs/dbraw/zinc/80/27/06/650802706.db2.gz BXLHKJYXDWLVSS-GFCCVEGCSA-N 1 0 381.782 2.013 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000068342309 642990066 /nfs/dbraw/zinc/99/00/66/642990066.db2.gz RKMPYFBFMLGUSA-OAHLLOKOSA-N 1 0 382.302 2.122 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000068383877 642992742 /nfs/dbraw/zinc/99/27/42/642992742.db2.gz RVYGRAQTMJVMJX-ZIAGYGMSSA-N 1 0 387.571 2.042 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)NCCSCC(F)(F)F)CC2)c1 ZINC000536728157 650806790 /nfs/dbraw/zinc/80/67/90/650806790.db2.gz SARQSICCBDMLPX-UHFFFAOYSA-N 1 0 378.420 2.217 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000069527627 643033987 /nfs/dbraw/zinc/03/39/87/643033987.db2.gz MYYNIMZCUOCJAB-HIFRSBDPSA-N 1 0 385.302 2.443 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069577400 643035713 /nfs/dbraw/zinc/03/57/13/643035713.db2.gz MEVSRLNJIOKSOA-MRXNPFEDSA-N 1 0 396.329 2.478 20 0 GEADRO O=C(COc1cccc(Br)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069744220 643040097 /nfs/dbraw/zinc/04/00/97/643040097.db2.gz SNXGIALMLSPLJG-HNNXBMFYSA-N 1 0 397.313 2.399 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000070149374 643048715 /nfs/dbraw/zinc/04/87/15/643048715.db2.gz WAPJYXVNCGXLED-LBPRGKRZSA-N 1 0 377.304 2.350 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000070149516 643049236 /nfs/dbraw/zinc/04/92/36/643049236.db2.gz MLPLEISMPSBDKW-CQSZACIVSA-N 1 0 375.332 2.426 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cc1Br ZINC000070170334 643049272 /nfs/dbraw/zinc/04/92/72/643049272.db2.gz CRBZJGUUFKDQRX-LLVKDONJSA-N 1 0 377.304 2.207 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000070173735 643049687 /nfs/dbraw/zinc/04/96/87/643049687.db2.gz IXRJZURBBXHMSM-QWRGUYRKSA-N 1 0 394.278 2.039 20 0 GEADRO C[C@@H]1CCCN(CC(=O)Nc2ccccc2I)[C@@H]1C[NH3+] ZINC000070178017 643050412 /nfs/dbraw/zinc/05/04/12/643050412.db2.gz CRLLTQQYLGEFJP-BXUZGUMPSA-N 1 0 387.265 2.289 20 0 GEADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)nc1 ZINC000536995573 650809335 /nfs/dbraw/zinc/80/93/35/650809335.db2.gz UNSCZQKSMBNZNE-IMJJTQAJSA-N 1 0 386.587 2.030 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000071312829 643060338 /nfs/dbraw/zinc/06/03/38/643060338.db2.gz QWAXCQLXMOWRBX-LBPRGKRZSA-N 1 0 377.304 2.220 20 0 GEADRO Cc1cc(Br)cc2c1[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)CC2 ZINC000494521500 650810027 /nfs/dbraw/zinc/81/00/27/650810027.db2.gz DHHJCMZZJGMVAK-CQSZACIVSA-N 1 0 390.347 2.167 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000091324026 643066017 /nfs/dbraw/zinc/06/60/17/643066017.db2.gz SGIXWZGTPYQKSK-ZWNOBZJWSA-N 1 0 377.304 2.254 20 0 GEADRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000091710767 643066449 /nfs/dbraw/zinc/06/64/49/643066449.db2.gz QJQYFIORQKGKMD-CABCVRRESA-N 1 0 396.333 2.158 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000094062281 643085701 /nfs/dbraw/zinc/08/57/01/643085701.db2.gz WHARTBXSKUPERY-UHFFFAOYSA-N 1 0 380.290 2.342 20 0 GEADRO CSc1ccc(C)c(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000097076176 643094599 /nfs/dbraw/zinc/09/45/99/643094599.db2.gz UCMJZFWFDDTVJZ-OAHLLOKOSA-N 1 0 384.567 2.298 20 0 GEADRO COc1cc(Br)c(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1O ZINC000537611459 650818324 /nfs/dbraw/zinc/81/83/24/650818324.db2.gz RDKIVZAGCJKWDX-UHFFFAOYSA-N 1 0 392.315 2.468 20 0 GEADRO CC[NH+]1CCN(CCC(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000101664667 643113967 /nfs/dbraw/zinc/11/39/67/643113967.db2.gz GYVFFKFWQHSMQR-UHFFFAOYSA-N 1 0 384.318 2.102 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000101961510 643120025 /nfs/dbraw/zinc/12/00/25/643120025.db2.gz BNYCWBSANNPJHZ-UHFFFAOYSA-N 1 0 385.306 2.417 20 0 GEADRO CC[N@H+](C)CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000102004185 643120666 /nfs/dbraw/zinc/12/06/66/643120666.db2.gz PSPHBVZYALROLQ-UHFFFAOYSA-N 1 0 385.306 2.337 20 0 GEADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000494874603 650818431 /nfs/dbraw/zinc/81/84/31/650818431.db2.gz QGAYBVJUPHYJCF-KGLIPLIRSA-N 1 0 381.929 2.464 20 0 GEADRO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1)N1CCOCC1 ZINC000103465703 643167602 /nfs/dbraw/zinc/16/76/02/643167602.db2.gz WZABYDOVQVZIHT-RDJZCZTQSA-N 1 0 397.313 2.053 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000104190270 643179627 /nfs/dbraw/zinc/17/96/27/643179627.db2.gz GXMPENIGDFKPLW-ZDUSSCGKSA-N 1 0 387.933 2.050 20 0 GEADRO CCOCCCNC(=[NH2+])NCCC(=O)Nc1ccc(Br)cc1C ZINC000104183433 643179687 /nfs/dbraw/zinc/17/96/87/643179687.db2.gz NQWIJMCIGLJUJV-UHFFFAOYSA-N 1 0 385.306 2.417 20 0 GEADRO C[C@@H](NC(=O)CCOc1ccccc1Br)[C@H](C)N1CCOCC1 ZINC000104597538 643185776 /nfs/dbraw/zinc/18/57/76/643185776.db2.gz CJANQOGOKDBFQZ-KGLIPLIRSA-N 1 0 385.302 2.443 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000104734815 643189036 /nfs/dbraw/zinc/18/90/36/643189036.db2.gz FUESZLJVXWCSCF-UHFFFAOYSA-N 1 0 377.869 2.200 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000494984856 650820177 /nfs/dbraw/zinc/82/01/77/650820177.db2.gz 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CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000537718330 650822187 /nfs/dbraw/zinc/82/21/87/650822187.db2.gz JFGRBELHKPTZCL-ZFWWWQNUSA-N 1 0 387.318 2.425 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1cc(Br)ccc1F ZINC000106533512 643233656 /nfs/dbraw/zinc/23/36/56/643233656.db2.gz YRCWACQFOUOBSV-GFCCVEGCSA-N 1 0 387.297 2.023 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCc2c1cccc2Br ZINC000106558169 643234260 /nfs/dbraw/zinc/23/42/60/643234260.db2.gz RGFLBBXALFMLCG-GUYCJALGSA-N 1 0 395.345 2.372 20 0 GEADRO C[NH+]1CCN(CCNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000106733883 643237541 /nfs/dbraw/zinc/23/75/41/643237541.db2.gz CQHOYWXZSMDBBU-UHFFFAOYSA-N 1 0 382.295 2.156 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Br)cc3OC)C2)CC1 ZINC000106807037 643239420 /nfs/dbraw/zinc/23/94/20/643239420.db2.gz CJEIJNLHYLXUQM-HNNXBMFYSA-N 1 0 396.329 2.310 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1Br ZINC000106906251 643244907 /nfs/dbraw/zinc/24/49/07/643244907.db2.gz 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O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Br ZINC000108256886 643268748 /nfs/dbraw/zinc/26/87/48/643268748.db2.gz XPRIPBVBCPWPKR-NWDGAFQWSA-N 1 0 377.279 2.493 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108336966 643271420 /nfs/dbraw/zinc/27/14/20/643271420.db2.gz YZSCBFVMSJNARN-MNOVXSKESA-N 1 0 388.331 2.087 20 0 GEADRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000108344931 643272341 /nfs/dbraw/zinc/27/23/41/643272341.db2.gz OXSGGWJQHJUDIE-ZDUSSCGKSA-N 1 0 392.301 2.410 20 0 GEADRO CCCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000108446530 643273852 /nfs/dbraw/zinc/27/38/52/643273852.db2.gz USQJMBZIGCCFIZ-GFCCVEGCSA-N 1 0 397.317 2.409 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)NCC(=O)NCC(F)(F)F)c1ccsc1 ZINC000108465918 643274481 /nfs/dbraw/zinc/27/44/81/643274481.db2.gz IUZQSKMDKGUECF-LBPRGKRZSA-N 1 0 380.436 2.109 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000108782998 643281839 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COC(=O)CN(C)C(=O)CC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000111214378 643329286 /nfs/dbraw/zinc/32/92/86/643329286.db2.gz AVVQVRZCNAXTMX-UHFFFAOYSA-N 1 0 383.286 2.439 20 0 GEADRO CNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000111265248 643330819 /nfs/dbraw/zinc/33/08/19/643330819.db2.gz ZPMKZASWLZHFDE-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000111348674 643336478 /nfs/dbraw/zinc/33/64/78/643336478.db2.gz SYTPPDNRBICNTQ-ZDUSSCGKSA-N 1 0 382.507 2.334 20 0 GEADRO COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)CS(C)(=O)=O)CCOCC1 ZINC000538206953 650832080 /nfs/dbraw/zinc/83/20/80/650832080.db2.gz ZGDYTOZXWMOTJK-ZDUSSCGKSA-N 1 0 375.918 2.420 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000111864959 643348803 /nfs/dbraw/zinc/34/88/03/643348803.db2.gz OYUCLKPCQBWKIO-CJNGLKHVSA-N 1 0 390.311 2.437 20 0 GEADRO Cc1cccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1Cl ZINC000538284608 650833857 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CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000118118133 643505661 /nfs/dbraw/zinc/50/56/61/643505661.db2.gz CMUOGUQWPOCUFS-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000118116408 643505703 /nfs/dbraw/zinc/50/57/03/643505703.db2.gz RVWJCVQGBASMQO-GFCCVEGCSA-N 1 0 382.302 2.185 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000118109204 643505791 /nfs/dbraw/zinc/50/57/91/643505791.db2.gz WHXIIPRPWKLYDB-UHFFFAOYSA-N 1 0 381.782 2.288 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000118109104 643505946 /nfs/dbraw/zinc/50/59/46/643505946.db2.gz HUEMQYAAEYPWAV-UHFFFAOYSA-N 1 0 396.207 2.474 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498013372 650845242 /nfs/dbraw/zinc/84/52/42/650845242.db2.gz ZAYUGNANFXUMEO-WMZOPIPTSA-N 1 0 392.341 2.230 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000118834443 643523804 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[NH3+][C@@H](CC(F)F)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000498197830 650850278 /nfs/dbraw/zinc/85/02/78/650850278.db2.gz AMJRNONJWOUBQQ-NSHDSACASA-N 1 0 380.222 2.260 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CC[NH+](C2CCCC2)CC1 ZINC000120065696 643589408 /nfs/dbraw/zinc/58/94/08/643589408.db2.gz MMSIFFKSRQSZET-UHFFFAOYSA-N 1 0 382.302 2.088 20 0 GEADRO CSc1ccc(Cl)cc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000120103499 643592165 /nfs/dbraw/zinc/59/21/65/643592165.db2.gz XOVFZSIQCLJRKK-UHFFFAOYSA-N 1 0 381.889 2.397 20 0 GEADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000498212914 650851487 /nfs/dbraw/zinc/85/14/87/650851487.db2.gz RVWINAZUHNHMPN-JTQLQIEISA-N 1 0 386.752 2.385 20 0 GEADRO COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccc(Br)cc1 ZINC000498219076 650851760 /nfs/dbraw/zinc/85/17/60/650851760.db2.gz ZWODVQKKGLLXGZ-WDEREUQCSA-N 1 0 379.201 2.152 20 0 GEADRO [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000498215589 650851894 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C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000122020260 643647909 /nfs/dbraw/zinc/64/79/09/643647909.db2.gz MZLHKSLWQMLHOI-DOMZBBRYSA-N 1 0 380.286 2.330 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000498459535 650857385 /nfs/dbraw/zinc/85/73/85/650857385.db2.gz FCYHIJZYQJAZET-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123896320 643678589 /nfs/dbraw/zinc/67/85/89/643678589.db2.gz CCAAHHKJYZKHML-GXTWGEPZSA-N 1 0 387.933 2.145 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000540151202 650858110 /nfs/dbraw/zinc/85/81/10/650858110.db2.gz NYGIVJGVYFFCGR-IINYFYTJSA-N 1 0 394.718 2.493 20 0 GEADRO NC(=O)CC[C@@H]1CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124116373 643681523 /nfs/dbraw/zinc/68/15/23/643681523.db2.gz FDOHXQQFHDJWGC-LBPRGKRZSA-N 1 0 393.285 2.094 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+][C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000540165184 650858568 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381.281 2.328 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cn1 ZINC000125035223 643698351 /nfs/dbraw/zinc/69/83/51/643698351.db2.gz SXIWMNMPEYZKCD-UHFFFAOYSA-N 1 0 384.267 2.006 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c(Cl)cc1Cl ZINC000125152177 643701066 /nfs/dbraw/zinc/70/10/66/643701066.db2.gz FDVHMDNIQBCULA-BDAKNGLRSA-N 1 0 381.281 2.280 20 0 GEADRO Cc1[nH]c(=S)sc1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000125129528 643701211 /nfs/dbraw/zinc/70/12/11/643701211.db2.gz FUSOFKGIDNGRBX-UHFFFAOYSA-N 1 0 377.539 2.120 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000498650452 650861960 /nfs/dbraw/zinc/86/19/60/650861960.db2.gz ZLUQMEQKTNBNTH-QWHCGFSZSA-N 1 0 382.302 2.258 20 0 GEADRO CC[N@H+](CCC1CCN(C(=O)NC[C@@H](C)S(C)(=O)=O)CC1)CC(C)C ZINC000540281248 650862156 /nfs/dbraw/zinc/86/21/56/650862156.db2.gz MOSXWGFYFWBQRZ-MRXNPFEDSA-N 1 0 375.579 2.209 20 0 GEADRO C[NH+]1CCC(CNC(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 ZINC000127476756 643776633 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20 0 GEADRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000129944214 643827868 /nfs/dbraw/zinc/82/78/68/643827868.db2.gz UGBSKDQSUIXXJR-LLVKDONJSA-N 1 0 378.441 2.258 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000130952469 643857232 /nfs/dbraw/zinc/85/72/32/643857232.db2.gz PHUHSBRFMCPTCJ-DZGCQCFKSA-N 1 0 382.302 2.041 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)C1 ZINC000133064690 643891751 /nfs/dbraw/zinc/89/17/51/643891751.db2.gz BAOHWSWCEMLWFN-CYBMUJFWSA-N 1 0 387.933 2.193 20 0 GEADRO CC[N@H+](CCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C1CC1 ZINC000134797331 643906619 /nfs/dbraw/zinc/90/66/19/643906619.db2.gz XNYHXRXRVCVKBN-UHFFFAOYSA-N 1 0 385.917 2.094 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1ccccc1 ZINC000150971425 643927670 /nfs/dbraw/zinc/92/76/70/643927670.db2.gz OMFYMABSGCHQQH-AWEZNQCLSA-N 1 0 391.269 2.202 20 0 GEADRO O[C@H](CNCc1ncc(Br)cc1Br)C[NH+]1CCCC1 ZINC000541588363 650878441 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0 GEADRO Cn1c(C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1-c1ccccc1Br ZINC000152664677 643971589 /nfs/dbraw/zinc/97/15/89/643971589.db2.gz OBBYWCWGUZYCTQ-GOSISDBHSA-N 1 0 394.313 2.497 20 0 GEADRO [NH2+]=C(NCCc1ccccc1)NC[C@H](O)COc1ccccc1Br ZINC000153202758 643980105 /nfs/dbraw/zinc/98/01/05/643980105.db2.gz UWGHCEJDOWSRCU-HNNXBMFYSA-N 1 0 392.297 2.336 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nc3c(s2)CSCC3)C[C@H]1C ZINC000499384405 650881528 /nfs/dbraw/zinc/88/15/28/650881528.db2.gz RBWFSBKZQWIOTC-VXGBXAGGSA-N 1 0 382.555 2.202 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153496561 643990236 /nfs/dbraw/zinc/99/02/36/643990236.db2.gz LOCAKOWPKFCKGQ-SFHVURJKSA-N 1 0 397.313 2.399 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000153559583 643992926 /nfs/dbraw/zinc/99/29/26/643992926.db2.gz KRWHDOALDTXCQC-UHFFFAOYSA-N 1 0 383.290 2.019 20 0 GEADRO CC[NH+](CC)CCOC1CCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000499398460 650882374 /nfs/dbraw/zinc/88/23/74/650882374.db2.gz WPPOSQFXBCGXNQ-UHFFFAOYSA-N 1 0 388.555 2.115 20 0 GEADRO COC1(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC[NH2+]CC1 ZINC000153750757 644004152 /nfs/dbraw/zinc/00/41/52/644004152.db2.gz YCLLGILJGHUDFQ-OAHLLOKOSA-N 1 0 383.286 2.118 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000154017716 644014773 /nfs/dbraw/zinc/01/47/73/644014773.db2.gz UOYJMZCESCRMGJ-OLZOCXBDSA-N 1 0 380.286 2.391 20 0 GEADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000154017588 644014822 /nfs/dbraw/zinc/01/48/22/644014822.db2.gz HVUKNCUOYSZMEF-HNNXBMFYSA-N 1 0 395.301 2.260 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000541985292 650884962 /nfs/dbraw/zinc/88/49/62/650884962.db2.gz VHGCWTCAMZNVPQ-KRWDZBQOSA-N 1 0 398.345 2.016 20 0 GEADRO C[NH+](C)CCn1nnnc1SCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000542004835 650885186 /nfs/dbraw/zinc/88/51/86/650885186.db2.gz SHKLGTDTLQPSFB-UHFFFAOYSA-N 1 0 399.311 2.415 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154341470 644037225 /nfs/dbraw/zinc/03/72/25/644037225.db2.gz MUBNLMDMLOSURO-OAHLLOKOSA-N 1 0 389.315 2.140 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000154526921 644049572 /nfs/dbraw/zinc/04/95/72/644049572.db2.gz UJYAOHGCLIQVDT-GFCCVEGCSA-N 1 0 377.279 2.447 20 0 GEADRO C[C@@H](CNC(=O)c1c(F)cc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000154621309 644056426 /nfs/dbraw/zinc/05/64/26/644056426.db2.gz MQJGHJROSHSSEF-JTQLQIEISA-N 1 0 376.245 2.093 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000155109147 644064676 /nfs/dbraw/zinc/06/46/76/644064676.db2.gz VNRMSUCOBKRBPK-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO CN(CC(=O)N[C@H](C[NH3+])C1CCCCC1)C(=O)c1ccc(Br)o1 ZINC000155586380 644075879 /nfs/dbraw/zinc/07/58/79/644075879.db2.gz FQOSFNVWRKRPIU-GFCCVEGCSA-N 1 0 386.290 2.138 20 0 GEADRO CC(C)N1C(=S)N=NC1C1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000155711168 644079499 /nfs/dbraw/zinc/07/94/99/644079499.db2.gz RZRSQWVNEIVIJG-AWEZNQCLSA-N 1 0 383.587 2.291 20 0 GEADRO C[C@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC(=O)N1 ZINC000542619736 650891204 /nfs/dbraw/zinc/89/12/04/650891204.db2.gz POVNWDRPHNSRJU-ZFWWWQNUSA-N 1 0 396.329 2.254 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)CC[C@H]1CCCO1 ZINC000156526603 644101470 /nfs/dbraw/zinc/10/14/70/644101470.db2.gz UCSXLGUUDXPRMY-MRXNPFEDSA-N 1 0 376.469 2.227 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000156618021 644107569 /nfs/dbraw/zinc/10/75/69/644107569.db2.gz TYYSBEHDRCFEMT-JTQLQIEISA-N 1 0 397.722 2.484 20 0 GEADRO C[C@H]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)[C@@H]1C[NH3+] ZINC000156721926 644113707 /nfs/dbraw/zinc/11/37/07/644113707.db2.gz AUGSUKUBZOMNBW-TVQRCGJNSA-N 1 0 398.248 2.367 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1Br ZINC000156727109 644114440 /nfs/dbraw/zinc/11/44/40/644114440.db2.gz YCOYTATUSLIVSR-ZDUSSCGKSA-N 1 0 379.320 2.452 20 0 GEADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000156798435 644117870 /nfs/dbraw/zinc/11/78/70/644117870.db2.gz BDDWEOGLLUBRQE-MRXNPFEDSA-N 1 0 375.579 2.063 20 0 GEADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H](CCO)c2ccccc2Br)C1=O ZINC000542879109 650893027 /nfs/dbraw/zinc/89/30/27/650893027.db2.gz MNXCSNPRMCYEHV-AWEZNQCLSA-N 1 0 398.301 2.183 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000158056774 644139962 /nfs/dbraw/zinc/13/99/62/644139962.db2.gz WOBOCITZNUGMON-LSDHHAIUSA-N 1 0 386.539 2.419 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)COc1ccc(Br)cc1 ZINC000499894182 650894202 /nfs/dbraw/zinc/89/42/02/650894202.db2.gz LNZJWURYFMZMJD-MRXNPFEDSA-N 1 0 385.302 2.397 20 0 GEADRO Cc1cc(CNC(=O)NCC[N@@H+](C)C2CC2)ccc1I ZINC000542906358 650894204 /nfs/dbraw/zinc/89/42/04/650894204.db2.gz GFWUNJMUTFXLTR-UHFFFAOYSA-N 1 0 387.265 2.493 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000158418534 644143503 /nfs/dbraw/zinc/14/35/03/644143503.db2.gz UHHSGQHHBBYBGS-CYBMUJFWSA-N 1 0 396.289 2.238 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000158663871 644154155 /nfs/dbraw/zinc/15/41/55/644154155.db2.gz JYIJHKUZWXVYMG-CYBMUJFWSA-N 1 0 386.315 2.488 20 0 GEADRO CN(CCC[NH3+])C(=O)c1cccc(Br)c1I ZINC000158727905 644156974 /nfs/dbraw/zinc/15/69/74/644156974.db2.gz KXNFVQUUCCPPGB-UHFFFAOYSA-N 1 0 397.054 2.475 20 0 GEADRO COc1cc(Br)cc(NC(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000500085299 650896119 /nfs/dbraw/zinc/89/61/19/650896119.db2.gz XOYXRYFQUWBVAE-UHFFFAOYSA-N 1 0 386.290 2.284 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158859429 644164052 /nfs/dbraw/zinc/16/40/52/644164052.db2.gz SRMYCKNMOIHRFT-FZKQIMNGSA-N 1 0 392.297 2.014 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)NCCCn2cc(Br)cn2)CC1 ZINC000500124551 650897597 /nfs/dbraw/zinc/89/75/97/650897597.db2.gz ROSOWHYOFWBRIH-UHFFFAOYSA-N 1 0 386.338 2.455 20 0 GEADRO CNS(=O)(=O)c1ccccc1N1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000543084316 650899359 /nfs/dbraw/zinc/89/93/59/650899359.db2.gz FMFQKMSRPSEZDV-HNNXBMFYSA-N 1 0 379.551 2.409 20 0 GEADRO C[N@H+](CCO)C1CCN(C(=O)NCCc2ccc(Br)s2)CC1 ZINC000161588073 644213298 /nfs/dbraw/zinc/21/32/98/644213298.db2.gz NFFGFMNGYDMVBQ-UHFFFAOYSA-N 1 0 390.347 2.151 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000161808477 644220681 /nfs/dbraw/zinc/22/06/81/644220681.db2.gz TWBNEEHYTPNTEK-OLZOCXBDSA-N 1 0 385.917 2.124 20 0 GEADRO CCOC(=O)N1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000161822097 644221244 /nfs/dbraw/zinc/22/12/44/644221244.db2.gz KYZAVXAXEBTFFI-CQSZACIVSA-N 1 0 384.274 2.186 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000162190669 644233261 /nfs/dbraw/zinc/23/32/61/644233261.db2.gz WFOWJIKSRDCQEW-SNVBAGLBSA-N 1 0 392.275 2.120 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000162412484 644236754 /nfs/dbraw/zinc/23/67/54/644236754.db2.gz IXHMIIYQODRXLN-STQMWFEESA-N 1 0 387.933 2.369 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC000163108167 644247919 /nfs/dbraw/zinc/24/79/19/644247919.db2.gz DDUXAEXKOBCMTP-UHFFFAOYSA-N 1 0 377.242 2.216 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000163177383 644251585 /nfs/dbraw/zinc/25/15/85/644251585.db2.gz MPFQWWBHHGVCTK-UHFFFAOYSA-N 1 0 375.803 2.434 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2sccc2S(=O)(=O)N(C)C)C1 ZINC000163442207 644256833 /nfs/dbraw/zinc/25/68/33/644256833.db2.gz UKUOKJLHTDXDAN-CQSZACIVSA-N 1 0 387.571 2.096 20 0 GEADRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000543236025 650904665 /nfs/dbraw/zinc/90/46/65/650904665.db2.gz SNOCULZIRUFUOM-LLVKDONJSA-N 1 0 376.272 2.235 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cnc2ccc(Br)cc2c1O ZINC000543431578 650911265 /nfs/dbraw/zinc/91/12/65/650911265.db2.gz MXXBMTWDBBPCFZ-LLVKDONJSA-N 1 0 376.254 2.257 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc(Br)c1OC ZINC000170835707 644290726 /nfs/dbraw/zinc/29/07/26/644290726.db2.gz SMPLCSKCYNEXGX-LBPRGKRZSA-N 1 0 386.290 2.312 20 0 GEADRO COc1cc(Br)c(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000171053111 644304688 /nfs/dbraw/zinc/30/46/88/644304688.db2.gz NMQIYSNKPSZVSC-LBPRGKRZSA-N 1 0 386.290 2.360 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000171137849 644313577 /nfs/dbraw/zinc/31/35/77/644313577.db2.gz HSBQBRHLHGGYDF-UHFFFAOYSA-N 1 0 395.294 2.062 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171143548 644314401 /nfs/dbraw/zinc/31/44/01/644314401.db2.gz JPKJNFQZMZYGED-ZFWWWQNUSA-N 1 0 386.286 2.274 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cn3)cn2)CC1 ZINC000171361473 644319654 /nfs/dbraw/zinc/31/96/54/644319654.db2.gz ALSHHQBLDIABSQ-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO CCC(CC)[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)[NH+](C)C ZINC000543414746 650911056 /nfs/dbraw/zinc/91/10/56/650911056.db2.gz MQHWMBJCLOKPES-HNNXBMFYSA-N 1 0 375.922 2.084 20 0 GEADRO Cn1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000172798198 644343902 /nfs/dbraw/zinc/34/39/02/644343902.db2.gz MDFOZROLGZLMKB-UHFFFAOYSA-N 1 0 381.263 2.474 20 0 GEADRO C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(C)(C)C[NH+](C)C ZINC000173056560 644349609 /nfs/dbraw/zinc/34/96/09/644349609.db2.gz WHDXNUDGUKSIQU-LBPRGKRZSA-N 1 0 389.949 2.296 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000173578519 644359799 /nfs/dbraw/zinc/35/97/99/644359799.db2.gz KMBGOSPUAJLGSJ-AWEZNQCLSA-N 1 0 378.300 2.294 20 0 GEADRO C[N@H+](CCC(=O)N1CCc2sccc2C1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174787874 644381786 /nfs/dbraw/zinc/38/17/86/644381786.db2.gz CNXSLFFIXBIUBV-WBVHZDCISA-N 1 0 384.567 2.311 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1cccc(I)c1 ZINC000543608005 650915511 /nfs/dbraw/zinc/91/55/11/650915511.db2.gz BXJQUSRJZRHDQB-UHFFFAOYSA-N 1 0 390.265 2.379 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000176694448 644403704 /nfs/dbraw/zinc/40/37/04/644403704.db2.gz UKEBGBACAXDRJP-ZDUSSCGKSA-N 1 0 387.933 2.147 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccnc(Br)c1 ZINC000178740986 644438336 /nfs/dbraw/zinc/43/83/36/644438336.db2.gz RTAQGMAUSKSEJC-HUUCEWRRSA-N 1 0 382.302 2.342 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1Br ZINC000178927260 644444587 /nfs/dbraw/zinc/44/45/87/644444587.db2.gz COBBKZPRBCVBRU-SNVBAGLBSA-N 1 0 377.304 2.206 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@H](C[NH2+]C)C2)cc1Br ZINC000178941191 644446097 /nfs/dbraw/zinc/44/60/97/644446097.db2.gz OLCCODQRPZFPOM-LLVKDONJSA-N 1 0 377.304 2.078 20 0 GEADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179043058 644449972 /nfs/dbraw/zinc/44/99/72/644449972.db2.gz ZYEGSIORWFDYLE-CZUORRHYSA-N 1 0 395.297 2.106 20 0 GEADRO COC(=O)[C@]1(C)CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000179382694 644458404 /nfs/dbraw/zinc/45/84/04/644458404.db2.gz BYFMCBXVKUTQCU-MRXNPFEDSA-N 1 0 380.242 2.002 20 0 GEADRO O=C(COc1ccccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179693963 644467947 /nfs/dbraw/zinc/46/79/47/644467947.db2.gz HIGPUUKJTHDYAW-CQSZACIVSA-N 1 0 383.286 2.009 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000543782243 650923966 /nfs/dbraw/zinc/92/39/66/650923966.db2.gz NJYRCLJWDYBHLL-CYBMUJFWSA-N 1 0 399.285 2.020 20 0 GEADRO CC(C)[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)C(=O)N1CCOCC1 ZINC000180063916 644486101 /nfs/dbraw/zinc/48/61/01/644486101.db2.gz ULVPVYHMFCGNHO-HNNXBMFYSA-N 1 0 388.295 2.405 20 0 GEADRO COc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)nc1Br ZINC000181148459 644526438 /nfs/dbraw/zinc/52/64/38/644526438.db2.gz XETZIBKCIBYENR-UHFFFAOYSA-N 1 0 398.301 2.037 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccnc1Br)c1ccccc1 ZINC000181323244 644531106 /nfs/dbraw/zinc/53/11/06/644531106.db2.gz XHNXXKQZTXIDBO-CQSZACIVSA-N 1 0 391.269 2.202 20 0 GEADRO CCOC1CC([NH2+]C[C@@H](O)COc2ccc(I)cc2)C1 ZINC000544033898 650931603 /nfs/dbraw/zinc/93/16/03/650931603.db2.gz XKUFFRQEFJGRSA-JVWICGRDSA-N 1 0 391.249 2.188 20 0 GEADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000544392285 650940894 /nfs/dbraw/zinc/94/08/94/650940894.db2.gz SODNVLZLEFMIBX-NSHDSACASA-N 1 0 385.306 2.408 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(I)c(O)c2)C1 ZINC000544872265 650956828 /nfs/dbraw/zinc/95/68/28/650956828.db2.gz HVADVTBWQQDJRC-NSHDSACASA-N 1 0 388.249 2.411 20 0 GEADRO CCOCCOc1ccc(Br)cc1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000545148917 650962790 /nfs/dbraw/zinc/96/27/90/650962790.db2.gz WJUPTTDIOYJIKK-QGZVFWFLSA-N 1 0 387.318 2.021 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000182154444 644958040 /nfs/dbraw/zinc/95/80/40/644958040.db2.gz CIGRXVFKPKFVEL-UHFFFAOYSA-N 1 0 385.306 2.463 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000183081114 644978893 /nfs/dbraw/zinc/97/88/93/644978893.db2.gz ZHPCCTRSCNTJMD-NEPJUHHUSA-N 1 0 381.420 2.174 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000183151655 644981789 /nfs/dbraw/zinc/98/17/89/644981789.db2.gz AEVKLHXCYKHLND-VIFPVBQESA-N 1 0 383.258 2.490 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1nccn1C ZINC000183419150 644993161 /nfs/dbraw/zinc/99/31/61/644993161.db2.gz LZHBFJRELRCDKJ-LLVKDONJSA-N 1 0 377.388 2.443 20 0 GEADRO C[NH+](C)CC1(CNc2ncc(Br)cc2S(N)(=O)=O)CCCC1 ZINC000545346913 650970193 /nfs/dbraw/zinc/97/01/93/650970193.db2.gz HMXIZLFOXYYYEY-UHFFFAOYSA-N 1 0 391.335 2.025 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cccnc2Br)CC1 ZINC000184537482 645019163 /nfs/dbraw/zinc/01/91/63/645019163.db2.gz JLMNRAFULFKMLP-UHFFFAOYSA-N 1 0 384.322 2.382 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000184963951 645029660 /nfs/dbraw/zinc/02/96/60/645029660.db2.gz UPNIRABCEDBHQY-JTQLQIEISA-N 1 0 377.304 2.229 20 0 GEADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000185263423 645040769 /nfs/dbraw/zinc/04/07/69/645040769.db2.gz KTTLSSZWVLLMAE-OAHLLOKOSA-N 1 0 381.519 2.183 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000185431586 645044891 /nfs/dbraw/zinc/04/48/91/645044891.db2.gz UNCYCHPBWAXTKU-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)NNc1ccc(Br)c(F)c1 ZINC000185461778 645046096 /nfs/dbraw/zinc/04/60/96/645046096.db2.gz VJRSBVZLVQAUJN-UHFFFAOYSA-N 1 0 377.258 2.183 20 0 GEADRO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000545504166 650977226 /nfs/dbraw/zinc/97/72/26/650977226.db2.gz AQVGNHJKCVUXPA-STQMWFEESA-N 1 0 388.295 2.269 20 0 GEADRO CN(C[C@@H](O)C(F)(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000186180417 645063095 /nfs/dbraw/zinc/06/30/95/645063095.db2.gz UCRYJTMCIPVADR-CYBMUJFWSA-N 1 0 383.480 2.303 20 0 GEADRO CCN(CCC[NH2+][C@H](C)c1ncc(Br)cc1F)S(C)(=O)=O ZINC000187037174 645079837 /nfs/dbraw/zinc/07/98/37/645079837.db2.gz FULZSEDCGOQCGH-SNVBAGLBSA-N 1 0 382.299 2.305 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000187190912 645085332 /nfs/dbraw/zinc/08/53/32/645085332.db2.gz GWJSUYJLEBABCX-GFCCVEGCSA-N 1 0 396.260 2.308 20 0 GEADRO O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCc2cnccc21 ZINC000187425684 645090314 /nfs/dbraw/zinc/09/03/14/645090314.db2.gz MRFWUNTYSAXMHT-UHFFFAOYSA-N 1 0 392.380 2.127 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000187632866 645096006 /nfs/dbraw/zinc/09/60/06/645096006.db2.gz IODJCQWMPDHNLB-HNNXBMFYSA-N 1 0 394.313 2.300 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)sc1Cl ZINC000188053404 645105194 /nfs/dbraw/zinc/10/51/94/645105194.db2.gz GVVAMXMFYPMQRF-CYBMUJFWSA-N 1 0 379.979 2.260 20 0 GEADRO COc1cc(Br)cc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1O ZINC000188743396 645123639 /nfs/dbraw/zinc/12/36/39/645123639.db2.gz ICAYXCYIZQSCQK-GFCCVEGCSA-N 1 0 387.318 2.440 20 0 GEADRO COCCO[C@@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000188927928 645129370 /nfs/dbraw/zinc/12/93/70/645129370.db2.gz PHDFMATWPUXWFJ-CYBMUJFWSA-N 1 0 381.270 2.459 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C)nc2Cl)[C@H](C)C1 ZINC000189624836 645139136 /nfs/dbraw/zinc/13/91/36/645139136.db2.gz BCGXQZXQCRXDPH-HIFRSBDPSA-N 1 0 389.949 2.459 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000545864155 650982401 /nfs/dbraw/zinc/98/24/01/650982401.db2.gz RNEPSZFTOMJWME-MRXNPFEDSA-N 1 0 398.232 2.040 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000545864511 650982475 /nfs/dbraw/zinc/98/24/75/650982475.db2.gz XJAZCSOUERPFMN-HNNXBMFYSA-N 1 0 391.306 2.004 20 0 GEADRO C[C@H](O)C[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000189854476 645144561 /nfs/dbraw/zinc/14/45/61/645144561.db2.gz DOUFLHXNDKWTNV-ZDUSSCGKSA-N 1 0 385.302 2.109 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000545875483 650983173 /nfs/dbraw/zinc/98/31/73/650983173.db2.gz NTAPEJOMHIGLCR-UHFFFAOYSA-N 1 0 384.249 2.295 20 0 GEADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000190371097 645154243 /nfs/dbraw/zinc/15/42/43/645154243.db2.gz HFQAGKFDMMVMMI-KRWDZBQOSA-N 1 0 390.546 2.290 20 0 GEADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000190371072 645154411 /nfs/dbraw/zinc/15/44/11/645154411.db2.gz HFQAGKFDMMVMMI-QGZVFWFLSA-N 1 0 390.546 2.290 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545885479 650983711 /nfs/dbraw/zinc/98/37/11/650983711.db2.gz XGWMWUZYMJXZRX-GUYCJALGSA-N 1 0 384.318 2.136 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000190854441 645166818 /nfs/dbraw/zinc/16/68/18/645166818.db2.gz WXRZMASUPDIQNV-UHFFFAOYSA-N 1 0 394.291 2.320 20 0 GEADRO O=c1c(Br)nn(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c2ccccc12 ZINC000191442746 645176028 /nfs/dbraw/zinc/17/60/28/645176028.db2.gz DEQAGTISHJAPMN-CYBMUJFWSA-N 1 0 392.175 2.116 20 0 GEADRO Cn1nc(Br)cc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000192205204 645198124 /nfs/dbraw/zinc/19/81/24/645198124.db2.gz NUDFVWWWTBLIKG-UHFFFAOYSA-N 1 0 399.333 2.147 20 0 GEADRO C[C@@]([NH3+])(C(=O)NC[C@H](O)COc1ccccc1Br)c1ccccc1 ZINC000192500537 645210087 /nfs/dbraw/zinc/21/00/87/645210087.db2.gz CKMGYMDRRVJVTE-KSSFIOAISA-N 1 0 393.281 2.179 20 0 GEADRO CN(CC[NH2+]Cc1ccc2c(c1)sc(=O)n2C)S(=O)(=O)c1cccs1 ZINC000192646362 645217372 /nfs/dbraw/zinc/21/73/72/645217372.db2.gz RQODSNFWRZMVPK-UHFFFAOYSA-N 1 0 397.547 2.072 20 0 GEADRO Cc1ccc(C[C@@H](C)NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)s1 ZINC000192681069 645220903 /nfs/dbraw/zinc/22/09/03/645220903.db2.gz CGEIYCTXSCXAEO-GFCCVEGCSA-N 1 0 384.571 2.341 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)ccc1Br ZINC000192923948 645230784 /nfs/dbraw/zinc/23/07/84/645230784.db2.gz OSIIFOBGBVLERU-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000192930463 645231456 /nfs/dbraw/zinc/23/14/56/645231456.db2.gz NBQXWNDABYUKEC-UHFFFAOYSA-N 1 0 397.317 2.411 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1Br ZINC000193084368 645239591 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CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193282351 645260856 /nfs/dbraw/zinc/26/08/56/645260856.db2.gz QUBOBIOIFIXFPO-GFCCVEGCSA-N 1 0 377.304 2.036 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000193305802 645264631 /nfs/dbraw/zinc/26/46/31/645264631.db2.gz ZOPIRZDZIBIYRV-SECBINFHSA-N 1 0 383.283 2.393 20 0 GEADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Br)cc2c1OCC2)C1CCCC1 ZINC000193321492 645266740 /nfs/dbraw/zinc/26/67/40/645266740.db2.gz UCZQQPGXEJHGNM-ZDUSSCGKSA-N 1 0 389.315 2.180 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000193374730 645268556 /nfs/dbraw/zinc/26/85/56/645268556.db2.gz BHBXFEOCNYBKJO-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000193410097 645270024 /nfs/dbraw/zinc/27/00/24/645270024.db2.gz PXQDKPYBTTYSGD-LDYMZIIASA-N 1 0 397.722 2.387 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ncc1Br ZINC000193493900 645278970 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C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194265736 645320301 /nfs/dbraw/zinc/32/03/01/645320301.db2.gz PXUGJPHUDWUZQM-NVXWUHKLSA-N 1 0 397.313 2.322 20 0 GEADRO CCn1cc(Br)cc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000194262681 645320456 /nfs/dbraw/zinc/32/04/56/645320456.db2.gz QNYKGPRMOGRLBA-MRXNPFEDSA-N 1 0 385.350 2.272 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)COc2cccc(I)c2)C1 ZINC000194351886 645323138 /nfs/dbraw/zinc/32/31/38/645323138.db2.gz MXJHYRKNYOQTDJ-GFCCVEGCSA-N 1 0 388.249 2.128 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1CCC=CO1)COc1ccc(I)cc1 ZINC000194369310 645324408 /nfs/dbraw/zinc/32/44/08/645324408.db2.gz YCBUVQRDGARZRU-HIFRSBDPSA-N 1 0 389.233 2.313 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H]1CCC=CO1)COc1ccc(I)cc1 ZINC000194369327 645324585 /nfs/dbraw/zinc/32/45/85/645324585.db2.gz YCBUVQRDGARZRU-ZFWWWQNUSA-N 1 0 389.233 2.313 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)COc2cccc(I)c2)C1 ZINC000194546978 645333064 /nfs/dbraw/zinc/33/30/64/645333064.db2.gz 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ZINC000195021001 645354796 /nfs/dbraw/zinc/35/47/96/645354796.db2.gz ZZEGHNCZDOWCPB-UHFFFAOYSA-N 1 0 391.331 2.170 20 0 GEADRO O=C(NCCn1ccnc1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000195475260 645381608 /nfs/dbraw/zinc/38/16/08/645381608.db2.gz NWVMDJBWYFWLKM-OAHLLOKOSA-N 1 0 379.258 2.429 20 0 GEADRO C[C@@H](CNC(=O)c1cc(I)ccc1O)C[NH+]1CCCC1 ZINC000226358993 645390655 /nfs/dbraw/zinc/39/06/55/645390655.db2.gz FGWLHIMRBGZNHV-NSHDSACASA-N 1 0 388.249 2.459 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000228181204 645395740 /nfs/dbraw/zinc/39/57/40/645395740.db2.gz BGDHDWMDQTUNEB-DGCLKSJQSA-N 1 0 387.265 2.350 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236579883 645412522 /nfs/dbraw/zinc/41/25/22/645412522.db2.gz SDFVETLIIGFPMZ-UONOGXRCSA-N 1 0 394.313 2.308 20 0 GEADRO O=C(c1ccc(Br)cc1I)N1CC[NH2+]CC1 ZINC000236606207 645413691 /nfs/dbraw/zinc/41/36/91/645413691.db2.gz SCXJMSYALDSAEL-UHFFFAOYSA-N 1 0 395.038 2.099 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)NCC[NH2+]C1CCCCCC1 ZINC000236604775 645413769 /nfs/dbraw/zinc/41/37/69/645413769.db2.gz JDOYYORXKMXTNC-UHFFFAOYSA-N 1 0 384.318 2.430 20 0 GEADRO CC(C)Oc1cc(Br)ccc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000236613142 645414508 /nfs/dbraw/zinc/41/45/08/645414508.db2.gz VKCMARUTQJKYDP-UHFFFAOYSA-N 1 0 384.318 2.261 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000236619597 645414595 /nfs/dbraw/zinc/41/45/95/645414595.db2.gz AOZWJTPWVXXDNB-AWEZNQCLSA-N 1 0 383.290 2.219 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)s2)CC1 ZINC000236644761 645415914 /nfs/dbraw/zinc/41/59/14/645415914.db2.gz CJYPVDADYPBOQA-KBPBESRZSA-N 1 0 385.555 2.121 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000236746832 645418300 /nfs/dbraw/zinc/41/83/00/645418300.db2.gz CTCUAQHFJWWWAE-SECBINFHSA-N 1 0 380.264 2.153 20 0 GEADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000236710534 645418456 /nfs/dbraw/zinc/41/84/56/645418456.db2.gz QLMSSNWAVJYEOV-QGZVFWFLSA-N 1 0 387.933 2.373 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000237103729 645422397 /nfs/dbraw/zinc/42/23/97/645422397.db2.gz QBMVGGQSYHTVDM-CYBMUJFWSA-N 1 0 379.320 2.452 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000237110885 645423306 /nfs/dbraw/zinc/42/33/06/645423306.db2.gz SHRMOSFIIDRTPC-MRXNPFEDSA-N 1 0 387.933 2.228 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237139978 645423850 /nfs/dbraw/zinc/42/38/50/645423850.db2.gz PZXWDMQVOLMSBZ-HIFRSBDPSA-N 1 0 396.329 2.431 20 0 GEADRO C[NH2+]CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000237137441 645424241 /nfs/dbraw/zinc/42/42/41/645424241.db2.gz CEZLESUEMSNCBK-UHFFFAOYSA-N 1 0 377.286 2.463 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])cn1 ZINC000237166450 645425334 /nfs/dbraw/zinc/42/53/34/645425334.db2.gz WHIPXYQZNSWGQK-ZDUSSCGKSA-N 1 0 384.889 2.036 20 0 GEADRO COCC[NH2+]CC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000237177334 645425876 /nfs/dbraw/zinc/42/58/76/645425876.db2.gz PJJFCOLVHMOTPO-UHFFFAOYSA-N 1 0 375.296 2.394 20 0 GEADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000237208061 645426810 /nfs/dbraw/zinc/42/68/10/645426810.db2.gz NPBYCUMEYUXYHK-QMMMGPOBSA-N 1 0 385.711 2.245 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000237341969 645428345 /nfs/dbraw/zinc/42/83/45/645428345.db2.gz CHDPGLJKLKVCDC-ZIAGYGMSSA-N 1 0 394.313 2.260 20 0 GEADRO CS(=O)(=O)NCCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000237383711 645429548 /nfs/dbraw/zinc/42/95/48/645429548.db2.gz DIHBVXSISJYKBX-UHFFFAOYSA-N 1 0 389.930 2.404 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000237369897 645429855 /nfs/dbraw/zinc/42/98/55/645429855.db2.gz UWFBXUGTVFPDAC-MNOVXSKESA-N 1 0 398.248 2.138 20 0 GEADRO C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@@H]1C[NH3+] ZINC000237418925 645431168 /nfs/dbraw/zinc/43/11/68/645431168.db2.gz QTEMOHXGLQZZBP-DVOMOZLQSA-N 1 0 394.313 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GEADRO COCCN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000273051010 646299985 /nfs/dbraw/zinc/29/99/85/646299985.db2.gz GGPQTRWSUJXGPF-QGZVFWFLSA-N 1 0 398.345 2.096 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C(F)(F)F)n1 ZINC000273066871 646300927 /nfs/dbraw/zinc/30/09/27/646300927.db2.gz ZAPJYHCAMRCMFE-NHYWBVRUSA-N 1 0 377.432 2.358 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000273095488 646303558 /nfs/dbraw/zinc/30/35/58/646303558.db2.gz ORDNEIZCYAIJDK-SWLSCSKDSA-N 1 0 383.286 2.357 20 0 GEADRO O=C(C[NH2+][C@H](CO)c1ccc(Br)cc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000273162469 646307736 /nfs/dbraw/zinc/30/77/36/646307736.db2.gz ZXUZHDBRTKSYCI-BRWVUGGUSA-N 1 0 397.313 2.242 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc3ncsc3c2)C[C@@H]1[NH+]1CCCC1 ZINC000275477946 646355701 /nfs/dbraw/zinc/35/57/01/646355701.db2.gz MYJRGHSMYCJLRL-HOCLYGCPSA-N 1 0 383.564 2.497 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000275613580 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Cn1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1I ZINC000292737566 647208098 /nfs/dbraw/zinc/20/80/98/647208098.db2.gz UKZFOLWKLPYZAP-ZDUSSCGKSA-N 1 0 398.248 2.057 20 0 GEADRO C[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N1C(=S)N=NC1c1cccs1 ZINC000293619739 647216191 /nfs/dbraw/zinc/21/61/91/647216191.db2.gz HUHMOHFVQZIHNT-RWMBFGLXSA-N 1 0 377.539 2.314 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cccnc2-n2cc(Br)cn2)CCC1 ZINC000295573003 647235163 /nfs/dbraw/zinc/23/51/63/647235163.db2.gz LOJPFUTVQVOTTR-UHFFFAOYSA-N 1 0 378.274 2.244 20 0 GEADRO C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000296431222 647251830 /nfs/dbraw/zinc/25/18/30/647251830.db2.gz LVRQBKQJHKZFLW-MNOVXSKESA-N 1 0 379.320 2.156 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnc(Br)c(Cl)c3)[C@H]2C1 ZINC000297955698 647267908 /nfs/dbraw/zinc/26/79/08/647267908.db2.gz VETBJNCCYNLMLX-QWHCGFSZSA-N 1 0 388.693 2.433 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)c1cc(Br)ccc1I ZINC000309454534 647280552 /nfs/dbraw/zinc/28/05/52/647280552.db2.gz RWSPQFGRARBCBD-SSDOTTSWSA-N 1 0 397.054 2.473 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)C[C@@H]2C1 ZINC000313856249 647283536 /nfs/dbraw/zinc/28/35/36/647283536.db2.gz ILAHSXVBSZYTHW-MNOVXSKESA-N 1 0 377.279 2.160 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000317022501 647285031 /nfs/dbraw/zinc/28/50/31/647285031.db2.gz RMSQTXYAZVKXJV-KOLCDFICSA-N 1 0 392.275 2.118 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000318168078 647286277 /nfs/dbraw/zinc/28/62/77/647286277.db2.gz GKOKDIYYIHCGCG-VIFPVBQESA-N 1 0 383.212 2.322 20 0 GEADRO O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N1CCC[NH2+]CC1 ZINC000321430265 647292438 /nfs/dbraw/zinc/29/24/38/647292438.db2.gz WWFMVOQJDMCDHF-UHFFFAOYSA-N 1 0 376.254 2.363 20 0 GEADRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000323533879 647298188 /nfs/dbraw/zinc/29/81/88/647298188.db2.gz NWUUUEFRQKKMDA-LLVKDONJSA-N 1 0 383.246 2.453 20 0 GEADRO CCOC(=O)C1CCC(O)(C[NH2+]CCCn2cc(Br)cn2)CC1 ZINC000323970534 647299688 /nfs/dbraw/zinc/29/96/88/647299688.db2.gz WAPLGXUYVRQHEN-UHFFFAOYSA-N 1 0 388.306 2.110 20 0 GEADRO NS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000327353772 647307866 /nfs/dbraw/zinc/30/78/66/647307866.db2.gz FVNPQFUFYCPAIG-UHFFFAOYSA-N 1 0 382.869 2.439 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000327381175 647308490 /nfs/dbraw/zinc/30/84/90/647308490.db2.gz FZNARSGWONSZEL-OAHLLOKOSA-N 1 0 386.901 2.279 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330469066 647339635 /nfs/dbraw/zinc/33/96/35/647339635.db2.gz UURQFBPXFKZGGN-TXEJJXNPSA-N 1 0 387.571 2.190 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000330829005 647354263 /nfs/dbraw/zinc/35/42/63/647354263.db2.gz PMCOFHACFXVWHA-NEPJUHHUSA-N 1 0 376.320 2.243 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000330831846 647354869 /nfs/dbraw/zinc/35/48/69/647354869.db2.gz UXUKJIRDNHMEEG-UHFFFAOYSA-N 1 0 395.356 2.182 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330919167 647358984 /nfs/dbraw/zinc/35/89/84/647358984.db2.gz YDNQEJZNPIAWCC-DCAQKATOSA-N 1 0 388.331 2.228 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc(Cl)c1OC ZINC000331016350 647361861 /nfs/dbraw/zinc/36/18/61/647361861.db2.gz LXLVWLDDMVPXHQ-KGLIPLIRSA-N 1 0 376.906 2.307 20 0 GEADRO CNS(=O)(=O)NC1CC[NH+](C[C@H](C)c2cccc(Br)c2)CC1 ZINC000331238756 647372985 /nfs/dbraw/zinc/37/29/85/647372985.db2.gz IKKWGNYKMVZLII-LBPRGKRZSA-N 1 0 390.347 2.071 20 0 GEADRO CCOc1cc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc(Br)c1O ZINC000331308644 647378838 /nfs/dbraw/zinc/37/88/38/647378838.db2.gz BJROITLQMPOGIQ-OLZOCXBDSA-N 1 0 387.318 2.440 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000331398056 647384005 /nfs/dbraw/zinc/38/40/05/647384005.db2.gz KZZLCTLRFPJKTP-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO 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C[C@H](Oc1ccc(I)cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000409651830 647976049 /nfs/dbraw/zinc/97/60/49/647976049.db2.gz ZHTMDBWBFLLVIF-WCQYABFASA-N 1 0 388.249 2.221 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000409661028 647976517 /nfs/dbraw/zinc/97/65/17/647976517.db2.gz KXBJKQMWHZJQRD-VDZJLULYSA-N 1 0 393.325 2.490 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410497927 648004944 /nfs/dbraw/zinc/00/49/44/648004944.db2.gz LRKKVSIFQKPSGA-HNNXBMFYSA-N 1 0 394.313 2.103 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000411019831 648020097 /nfs/dbraw/zinc/02/00/97/648020097.db2.gz FVVYBWUXJHTFSA-INIZCTEOSA-N 1 0 396.329 2.349 20 0 GEADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CC1 ZINC000411962056 648039634 /nfs/dbraw/zinc/03/96/34/648039634.db2.gz AYCGPNCUSDOFDV-DIFFPNOSSA-N 1 0 388.917 2.475 20 0 GEADRO CNC(=O)NC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000412051799 648042467 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GEADRO O=C(Nc1ccc(I)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000414675303 648099372 /nfs/dbraw/zinc/09/93/72/648099372.db2.gz FQWKBGUHBNBBEJ-SNVBAGLBSA-N 1 0 381.164 2.410 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NC[C@@H](C)C[NH3+])ccc1Cl ZINC000414715429 648101315 /nfs/dbraw/zinc/10/13/15/648101315.db2.gz NCKAYTYPDYXAQG-NSHDSACASA-N 1 0 376.910 2.087 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414721363 648101977 /nfs/dbraw/zinc/10/19/77/648101977.db2.gz BPZVPZVTMPXUJR-GFCCVEGCSA-N 1 0 388.921 2.326 20 0 GEADRO C[NH2+]CCN(C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414724566 648102392 /nfs/dbraw/zinc/10/23/92/648102392.db2.gz JXCFFPMXELFIKM-UHFFFAOYSA-N 1 0 388.921 2.198 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415415407 648103590 /nfs/dbraw/zinc/10/35/90/648103590.db2.gz QQKRRXVSQQKERN-JTQLQIEISA-N 1 0 384.267 2.089 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415413248 648103763 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[NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415813119 648113852 /nfs/dbraw/zinc/11/38/52/648113852.db2.gz QBJQDQKLTLRXIN-PSASIEDQSA-N 1 0 390.228 2.300 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(F)cc1Br ZINC000415814979 648113929 /nfs/dbraw/zinc/11/39/29/648113929.db2.gz RPVWIMKLHBSZQQ-GHMZBOCLSA-N 1 0 386.265 2.469 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C)C(C)C ZINC000416466488 648134665 /nfs/dbraw/zinc/13/46/65/648134665.db2.gz BEOIVKSLSWHNCW-UHFFFAOYSA-N 1 0 375.922 2.017 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000416467501 648134988 /nfs/dbraw/zinc/13/49/88/648134988.db2.gz VEOFNMLBBLQVAI-CQSZACIVSA-N 1 0 387.933 2.159 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000416486783 648144464 /nfs/dbraw/zinc/14/44/64/648144464.db2.gz JQCIZSLEKGXCFI-CHWSQXEVSA-N 1 0 386.901 2.374 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000416490729 648146310 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Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000416823376 648213146 /nfs/dbraw/zinc/21/31/46/648213146.db2.gz HCXSSYIIOSSHOH-OLZOCXBDSA-N 1 0 397.317 2.383 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000416838553 648214580 /nfs/dbraw/zinc/21/45/80/648214580.db2.gz ZCUPMADPPKTIOV-YPMHNXCESA-N 1 0 383.290 2.136 20 0 GEADRO COc1cc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1Br ZINC000416896393 648215913 /nfs/dbraw/zinc/21/59/13/648215913.db2.gz PFRSWSUZAOARPL-NEPJUHHUSA-N 1 0 386.290 2.377 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2cccc(C)c2Br)CC[N@H+](C)C1 ZINC000416995122 648221436 /nfs/dbraw/zinc/22/14/36/648221436.db2.gz KQKNAJLGHFUOEH-GFCCVEGCSA-N 1 0 384.274 2.326 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417104217 648224980 /nfs/dbraw/zinc/22/49/80/648224980.db2.gz OHRUKENGHKXXRD-RHSMWYFYSA-N 1 0 395.345 2.069 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000417190151 648230173 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C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417296982 648238302 /nfs/dbraw/zinc/23/83/02/648238302.db2.gz HYRMODVQNAXAMH-PWSUYJOCSA-N 1 0 384.274 2.099 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[NH2+]1 ZINC000417297096 648238368 /nfs/dbraw/zinc/23/83/68/648238368.db2.gz IDLDYIIIVSERHJ-CMPLNLGQSA-N 1 0 384.274 2.160 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417300800 648238694 /nfs/dbraw/zinc/23/86/94/648238694.db2.gz PECJBJXWNAMPGW-UHFFFAOYSA-N 1 0 384.274 2.162 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417360381 648240184 /nfs/dbraw/zinc/24/01/84/648240184.db2.gz AKFIDMCCTUWBSS-OCCSQVGLSA-N 1 0 397.317 2.383 20 0 GEADRO COc1cc(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc(Br)c1OC ZINC000417377458 648241942 /nfs/dbraw/zinc/24/19/42/648241942.db2.gz PLRQLSGIXOVRDR-MNOVXSKESA-N 1 0 386.290 2.358 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)NCc2cc(Br)c(OC)c(OC)c2)C1 ZINC000417375174 648241970 /nfs/dbraw/zinc/24/19/70/648241970.db2.gz LVMVEOORELGHKR-LBPRGKRZSA-N 1 0 386.290 2.360 20 0 GEADRO COc1cc(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc(Br)c1OC ZINC000417380798 648242419 /nfs/dbraw/zinc/24/24/19/648242419.db2.gz VGAAPSXQQGKGCU-ZYHUDNBSSA-N 1 0 386.290 2.345 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc(Br)c1OC ZINC000417383667 648242863 /nfs/dbraw/zinc/24/28/63/648242863.db2.gz ZKSQSSHHORTMGO-ZYHUDNBSSA-N 1 0 386.290 2.393 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc(Br)c1OC ZINC000417383229 648243004 /nfs/dbraw/zinc/24/30/04/648243004.db2.gz YOZCRSPHVKJNJX-CMPLNLGQSA-N 1 0 386.290 2.406 20 0 GEADRO [NH3+]CC1CCN(C(=O)NCCc2ccc(I)s2)CC1 ZINC000417437023 648245403 /nfs/dbraw/zinc/24/54/03/648245403.db2.gz GEEVSZDEHDYGKZ-UHFFFAOYSA-N 1 0 393.294 2.276 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417438029 648245852 /nfs/dbraw/zinc/24/58/52/648245852.db2.gz SDAGEILHKUWAPR-UHFFFAOYSA-N 1 0 399.333 2.195 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1OC ZINC000417441607 648246456 /nfs/dbraw/zinc/24/64/56/648246456.db2.gz AWKDZGWNIVDPKR-GHMZBOCLSA-N 1 0 386.290 2.358 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000417448967 648246810 /nfs/dbraw/zinc/24/68/10/648246810.db2.gz XAEBJLUAPFDWAB-INIZCTEOSA-N 1 0 386.290 2.347 20 0 GEADRO O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417449486 648247305 /nfs/dbraw/zinc/24/73/05/648247305.db2.gz BPYKQXRNPPFZSB-SUMWQHHRSA-N 1 0 393.329 2.126 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417478643 648248279 /nfs/dbraw/zinc/24/82/79/648248279.db2.gz DQUAWJPAZIFOPR-CHWSQXEVSA-N 1 0 397.317 2.465 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417481835 648249010 /nfs/dbraw/zinc/24/90/10/648249010.db2.gz OPGNMZLDGWMYAL-YUELXQCFSA-N 1 0 381.318 2.454 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417483666 648249524 /nfs/dbraw/zinc/24/95/24/648249524.db2.gz JRTWLSSWQXVKES-LBPRGKRZSA-N 1 0 383.290 2.076 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417486276 648249810 /nfs/dbraw/zinc/24/98/10/648249810.db2.gz MKCCCHXSJCWCHN-GJZGRUSLSA-N 1 0 397.317 2.138 20 0 GEADRO CC1(NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000417485661 648249916 /nfs/dbraw/zinc/24/99/16/648249916.db2.gz WVZBAEPUFPYODP-AWEZNQCLSA-N 1 0 381.318 2.469 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417487067 648249939 /nfs/dbraw/zinc/24/99/39/648249939.db2.gz NGHCGDJRKFCVEK-CYBMUJFWSA-N 1 0 383.290 2.137 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417493125 648250182 /nfs/dbraw/zinc/25/01/82/648250182.db2.gz VZVFTSNFKKJWNA-ZDUSSCGKSA-N 1 0 399.333 2.386 20 0 GEADRO [NH3+]CCCNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417593752 648254616 /nfs/dbraw/zinc/25/46/16/648254616.db2.gz KXGFWYBHFIAXDQ-UHFFFAOYSA-N 1 0 376.320 2.209 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417599718 648254948 /nfs/dbraw/zinc/25/49/48/648254948.db2.gz IDKMMQRKGOUAKS-UONOGXRCSA-N 1 0 381.318 2.421 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417599716 648254960 /nfs/dbraw/zinc/25/49/60/648254960.db2.gz IDKMMQRKGOUAKS-KBPBESRZSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C[NH2+]1 ZINC000417601775 648255573 /nfs/dbraw/zinc/25/55/73/648255573.db2.gz MQVPTHMBHDWEOD-HZSPNIEDSA-N 1 0 381.318 2.420 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[NH2+]1 ZINC000417604136 648255593 /nfs/dbraw/zinc/25/55/93/648255593.db2.gz UAIFJGBGJJMISA-MCIONIFRSA-N 1 0 381.318 2.468 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[NH2+]1 ZINC000417604137 648256023 /nfs/dbraw/zinc/25/60/23/648256023.db2.gz UAIFJGBGJJMISA-MGPQQGTHSA-N 1 0 381.318 2.468 20 0 GEADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417604472 648256067 /nfs/dbraw/zinc/25/60/67/648256067.db2.gz UWUJSFAVZVKXNC-KSSFIOAISA-N 1 0 393.329 2.423 20 0 GEADRO CC[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)Cc1cccc(Br)c1 ZINC000417733662 648260329 /nfs/dbraw/zinc/26/03/29/648260329.db2.gz YDJCHFJEKKWZFJ-YOEHRIQHSA-N 1 0 397.361 2.221 20 0 GEADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000417741062 648261044 /nfs/dbraw/zinc/26/10/44/648261044.db2.gz SVGICVOXBPDODZ-JTQLQIEISA-N 1 0 380.798 2.431 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000417830330 648262952 /nfs/dbraw/zinc/26/29/52/648262952.db2.gz JFDKBAMIRYXCDA-MRVPVSSYSA-N 1 0 378.786 2.056 20 0 GEADRO CC(C)([NH3+])CNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417865325 648263593 /nfs/dbraw/zinc/26/35/93/648263593.db2.gz CMAFPXMGODDEMB-JTQLQIEISA-N 1 0 379.814 2.369 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417882978 648264493 /nfs/dbraw/zinc/26/44/93/648264493.db2.gz GWDMRUDNNSYFAB-ZDUSSCGKSA-N 1 0 383.334 2.308 20 0 GEADRO C[NH2+]CCN(C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417885394 648264558 /nfs/dbraw/zinc/26/45/58/648264558.db2.gz IVDJCUHSZLYLQB-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417885401 648264601 /nfs/dbraw/zinc/26/46/01/648264601.db2.gz IWQNYZZRBVRMJH-CHWSQXEVSA-N 1 0 383.334 2.448 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417901443 648265491 /nfs/dbraw/zinc/26/54/91/648265491.db2.gz VUKIUUBLKGNBJE-ZBFHGGJFSA-N 1 0 395.345 2.069 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417937857 648266761 /nfs/dbraw/zinc/26/67/61/648266761.db2.gz HYHSCHKNPPFESC-SMDDNHRTSA-N 1 0 388.281 2.278 20 0 GEADRO COCC[NH2+]CCNC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000417997472 648268789 /nfs/dbraw/zinc/26/87/89/648268789.db2.gz TYHLZTKADHCIRH-IUODEOHRSA-N 1 0 388.306 2.060 20 0 GEADRO COCC[NH2+]CCNC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418008804 648269493 /nfs/dbraw/zinc/26/94/93/648269493.db2.gz SYSYSLDTEWEHHO-UHFFFAOYSA-N 1 0 383.290 2.008 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)NC[C@@H]([NH3+])C(C)C)C2=O)ccc1Br ZINC000418017821 648270418 /nfs/dbraw/zinc/27/04/18/648270418.db2.gz UEHDYJKOVBGWPK-CABCVRRESA-N 1 0 397.317 2.145 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)C1 ZINC000418017361 648270508 /nfs/dbraw/zinc/27/05/08/648270508.db2.gz HEBMTERTSAUUAD-CYBMUJFWSA-N 1 0 380.290 2.299 20 0 GEADRO Fc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)c(I)c1 ZINC000418025340 648271724 /nfs/dbraw/zinc/27/17/24/648271724.db2.gz DDCJZQQXBMZHFM-UHFFFAOYSA-N 1 0 390.240 2.385 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)nc12 ZINC000418026591 648272233 /nfs/dbraw/zinc/27/22/33/648272233.db2.gz WFSAQQJXOULTJU-IUODEOHRSA-N 1 0 394.317 2.326 20 0 GEADRO C[C@@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)s1 ZINC000418052892 648273635 /nfs/dbraw/zinc/27/36/35/648273635.db2.gz AOYAPZINGFUFQL-VXGBXAGGSA-N 1 0 387.347 2.261 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418055027 648273691 /nfs/dbraw/zinc/27/36/91/648273691.db2.gz ATHJNFRVRRVVLV-TZMCWYRMSA-N 1 0 385.295 2.492 20 0 GEADRO C[C@@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)s1 ZINC000418052891 648273719 /nfs/dbraw/zinc/27/37/19/648273719.db2.gz AOYAPZINGFUFQL-NEPJUHHUSA-N 1 0 387.347 2.261 20 0 GEADRO CN(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C1CC[NH2+]CC1 ZINC000418077979 648275445 /nfs/dbraw/zinc/27/54/45/648275445.db2.gz IXHJMXQPLLIYGR-CQSZACIVSA-N 1 0 385.295 2.492 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2I)CC[NH2+]1 ZINC000418088368 648277736 /nfs/dbraw/zinc/27/77/36/648277736.db2.gz KFPKNPMWNBAKOB-SECBINFHSA-N 1 0 393.656 2.448 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418088102 648277752 /nfs/dbraw/zinc/27/77/52/648277752.db2.gz JIZDMSXSSWCIFP-HIFRSBDPSA-N 1 0 397.317 2.371 20 0 GEADRO O=C(NCc1ccc(Cl)cc1I)N1CC[NH2+]CC1 ZINC000418088060 648277870 /nfs/dbraw/zinc/27/78/70/648277870.db2.gz JBFCFSRKZYDJKL-UHFFFAOYSA-N 1 0 379.629 2.059 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(Cl)cc1I ZINC000418091783 648278397 /nfs/dbraw/zinc/27/83/97/648278397.db2.gz QJNYFPWELOLUEH-QMMMGPOBSA-N 1 0 381.645 2.481 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C[NH2+]1 ZINC000418089207 648278404 /nfs/dbraw/zinc/27/84/04/648278404.db2.gz BGRIWHUPGFQAIL-UMVBOHGHSA-N 1 0 381.318 2.420 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C[NH2+]1 ZINC000418089209 648278461 /nfs/dbraw/zinc/27/84/61/648278461.db2.gz BGRIWHUPGFQAIL-VNHYZAJKSA-N 1 0 381.318 2.420 20 0 GEADRO [NH3+][C@@H](CNC(=O)NCc1ccc(Cl)cc1I)C1CC1 ZINC000418094455 648278738 /nfs/dbraw/zinc/27/87/38/648278738.db2.gz UNXOYFBQYXAPOP-LBPRGKRZSA-N 1 0 393.656 2.481 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418095482 648279132 /nfs/dbraw/zinc/27/91/32/648279132.db2.gz JFMTWPFKZQHCRB-IIAWOOMASA-N 1 0 393.329 2.279 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000418096445 648279264 /nfs/dbraw/zinc/27/92/64/648279264.db2.gz XDEMHIHWQPOESD-JTQLQIEISA-N 1 0 381.420 2.036 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418099343 648279598 /nfs/dbraw/zinc/27/95/98/648279598.db2.gz NDBNEICLDOFAPS-HUUCEWRRSA-N 1 0 381.318 2.421 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418098354 648279702 /nfs/dbraw/zinc/27/97/02/648279702.db2.gz ZOGPAUHMVTYJRJ-GFCCVEGCSA-N 1 0 380.290 2.432 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000418104156 648279986 /nfs/dbraw/zinc/27/99/86/648279986.db2.gz JXDKQUWVKGXPKE-UHFFFAOYSA-N 1 0 386.338 2.457 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418103382 648280046 /nfs/dbraw/zinc/28/00/46/648280046.db2.gz STXSJFGBDQOZOP-PBHICJAKSA-N 1 0 381.318 2.408 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418103386 648280066 /nfs/dbraw/zinc/28/00/66/648280066.db2.gz STXSJFGBDQOZOP-WMLDXEAASA-N 1 0 381.318 2.408 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418102085 648280080 /nfs/dbraw/zinc/28/00/80/648280080.db2.gz RGXCBKVRIHLEJM-GOEBONIOSA-N 1 0 381.318 2.421 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418107318 648280312 /nfs/dbraw/zinc/28/03/12/648280312.db2.gz YZXPFQOPFHPUTL-IJEWVQPXSA-N 1 0 393.329 2.279 20 0 GEADRO CC(C)(C[NH3+])NC(=O)NCc1ccc(I)cc1Cl ZINC000418116811 648282081 /nfs/dbraw/zinc/28/20/81/648282081.db2.gz BMQHORYXSSGEBO-UHFFFAOYSA-N 1 0 381.645 2.481 20 0 GEADRO [NH3+][C@@H](CNC(=O)NCc1ccc(I)cc1Cl)C1CC1 ZINC000418119396 648282414 /nfs/dbraw/zinc/28/24/14/648282414.db2.gz GKWRAQNUNWAXOY-LBPRGKRZSA-N 1 0 393.656 2.481 20 0 GEADRO Cc1cc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1I ZINC000418135178 648284302 /nfs/dbraw/zinc/28/43/02/648284302.db2.gz ADJGQVVJXVHMNA-QMTHXVAHSA-N 1 0 387.265 2.397 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1I ZINC000418143043 648284556 /nfs/dbraw/zinc/28/45/56/648284556.db2.gz OJKLKIYCUOYEFZ-AAEUAGOBSA-N 1 0 387.265 2.478 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1I ZINC000418142907 648284692 /nfs/dbraw/zinc/28/46/92/648284692.db2.gz NYUJYQVUEQVGND-UONOGXRCSA-N 1 0 399.276 2.351 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCCCn2cc(Br)cn2)CC1 ZINC000418195086 648287213 /nfs/dbraw/zinc/28/72/13/648287213.db2.gz POJHXFILYBAHLF-HNNXBMFYSA-N 1 0 398.349 2.455 20 0 GEADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NC[C@@H]1C[NH2+]CCCO1 ZINC000418200003 648287690 /nfs/dbraw/zinc/28/76/90/648287690.db2.gz PBIORTJDLSOYJZ-ZDUSSCGKSA-N 1 0 395.301 2.151 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000418227897 648287986 /nfs/dbraw/zinc/28/79/86/648287986.db2.gz DBPXZUHHYWATRL-KGLIPLIRSA-N 1 0 387.933 2.273 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)NCc2c(Br)cncc2Br)C1 ZINC000418233636 648288865 /nfs/dbraw/zinc/28/88/65/648288865.db2.gz HCIFMRCCKXTRBH-QMMMGPOBSA-N 1 0 392.095 2.110 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)NCc1c(Br)cncc1Br ZINC000418231396 648288917 /nfs/dbraw/zinc/28/89/17/648288917.db2.gz BNHMSZPXFQNRNO-SSDOTTSWSA-N 1 0 380.084 2.143 20 0 GEADRO O=C(NC/C=C/c1ccc(Br)cc1)NCCCN1CC[NH2+]CC1 ZINC000418238806 648289741 /nfs/dbraw/zinc/28/97/41/648289741.db2.gz AOMAGDJDCPGWPY-HNQUOIGGSA-N 1 0 381.318 2.057 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)NCc2c(Br)cncc2Br)C1 ZINC000418247281 648290324 /nfs/dbraw/zinc/29/03/24/648290324.db2.gz ZYTGLJWUHGIFJR-MRVPVSSYSA-N 1 0 392.095 2.097 20 0 GEADRO C[NH2+]CCCNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418280278 648290629 /nfs/dbraw/zinc/29/06/29/648290629.db2.gz AMPOFBPYVWDGKS-UHFFFAOYSA-N 1 0 387.297 2.025 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000418304699 648292270 /nfs/dbraw/zinc/29/22/70/648292270.db2.gz YQGNAMCCQXVDCJ-HNNXBMFYSA-N 1 0 395.345 2.201 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)N(CCO)Cc1ccc(Br)s1 ZINC000418303713 648292278 /nfs/dbraw/zinc/29/22/78/648292278.db2.gz SWJAKFOLEAAZBM-UHFFFAOYSA-N 1 0 376.320 2.157 20 0 GEADRO C[C@H](NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418328448 648292848 /nfs/dbraw/zinc/29/28/48/648292848.db2.gz ASAWMRQCVKWPER-BPUTZDHNSA-N 1 0 398.345 2.287 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418329839 648293394 /nfs/dbraw/zinc/29/33/94/648293394.db2.gz BPEUNRUDUARXFR-CABCVRRESA-N 1 0 398.345 2.207 20 0 GEADRO CC[NH2+]CCNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418332559 648293414 /nfs/dbraw/zinc/29/34/14/648293414.db2.gz ZEUHVPGFONMPTL-UHFFFAOYSA-N 1 0 397.317 2.419 20 0 GEADRO O=C(CNC(=O)NCC[C@@H]1CCC[NH2+]C1)Nc1cccc(Br)c1 ZINC000418340332 648293660 /nfs/dbraw/zinc/29/36/60/648293660.db2.gz GHTUIWIJZRYSEI-LBPRGKRZSA-N 1 0 383.290 2.077 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@H](CO)Cc1ccccc1Br ZINC000418338398 648293739 /nfs/dbraw/zinc/29/37/39/648293739.db2.gz CTFGKMPSUDOHHL-HUUCEWRRSA-N 1 0 398.345 2.289 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418344390 648294183 /nfs/dbraw/zinc/29/41/83/648294183.db2.gz BEDPPBYRFQBYJJ-KBPBESRZSA-N 1 0 379.810 2.179 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000418344294 648294281 /nfs/dbraw/zinc/29/42/81/648294281.db2.gz AXUZJCLFBFEWFF-UKRRQHHQSA-N 1 0 399.276 2.227 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418372152 648295256 /nfs/dbraw/zinc/29/52/56/648295256.db2.gz QOEZUNYARRLEJK-LBPRGKRZSA-N 1 0 387.347 2.090 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418478395 648297500 /nfs/dbraw/zinc/29/75/00/648297500.db2.gz XDLGRAYOJFTQPP-LBPRGKRZSA-N 1 0 387.297 2.010 20 0 GEADRO [NH3+][C@@H](CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000418500510 648298766 /nfs/dbraw/zinc/29/87/66/648298766.db2.gz PXINJZFCOFNNCT-INIZCTEOSA-N 1 0 381.318 2.014 20 0 GEADRO [NH3+][C@H](CNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000418500174 648298801 /nfs/dbraw/zinc/29/88/01/648298801.db2.gz PEWUYFSQHNIEBV-HUUCEWRRSA-N 1 0 386.265 2.408 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418500454 648298856 /nfs/dbraw/zinc/29/88/56/648298856.db2.gz PPZWYGVVXMBYBI-GFCCVEGCSA-N 1 0 376.320 2.406 20 0 GEADRO C[C@H](C[NH3+])NC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418531829 648300594 /nfs/dbraw/zinc/30/05/94/648300594.db2.gz WYVAZVVKXTVZLS-HQJQHLMTSA-N 1 0 384.196 2.148 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418539897 648300944 /nfs/dbraw/zinc/30/09/44/648300944.db2.gz OBOGCECFUUVDHB-UHFFFAOYSA-N 1 0 393.329 2.196 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418556372 648301793 /nfs/dbraw/zinc/30/17/93/648301793.db2.gz FJXLFNSKZCEGFZ-XJKSGUPXSA-N 1 0 381.318 2.279 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)C1 ZINC000418569970 648301888 /nfs/dbraw/zinc/30/18/88/648301888.db2.gz CODGEHWFIUFEIC-YUELXQCFSA-N 1 0 384.318 2.169 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000418592674 648303563 /nfs/dbraw/zinc/30/35/63/648303563.db2.gz DHKOBFGNNVKIPF-QWRGUYRKSA-N 1 0 376.320 2.155 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000418596626 648304111 /nfs/dbraw/zinc/30/41/11/648304111.db2.gz HDVMLZATKJQJAN-GFCCVEGCSA-N 1 0 380.539 2.428 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@H]1c1cccs1 ZINC000418609353 648304775 /nfs/dbraw/zinc/30/47/75/648304775.db2.gz FKGJWTCNMSPYAT-TZMCWYRMSA-N 1 0 376.448 2.431 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCc2c1cccc2Cl ZINC000418610751 648304825 /nfs/dbraw/zinc/30/48/25/648304825.db2.gz GZRZZFKMMLFHCV-CQSZACIVSA-N 1 0 376.810 2.248 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418617168 648305155 /nfs/dbraw/zinc/30/51/55/648305155.db2.gz NFVKXTHINZNQDN-LLVKDONJSA-N 1 0 384.855 2.379 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)COc2ncccc2Br)CC[NH2+]1 ZINC000418615771 648305250 /nfs/dbraw/zinc/30/52/50/648305250.db2.gz YHPHUVMQNOXZLB-NEPJUHHUSA-N 1 0 385.306 2.441 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NC[C@H](CO)Cc1ccccc1Br)C1CCCC1 ZINC000418627124 648305609 /nfs/dbraw/zinc/30/56/09/648305609.db2.gz TZHGLYRFMJVKEG-CXAGYDPISA-N 1 0 398.345 2.417 20 0 GEADRO CCS[C@@H]1CC[C@@H](N(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418623938 648305674 /nfs/dbraw/zinc/30/56/74/648305674.db2.gz YFUCFHKSLXSOGD-MGPQQGTHSA-N 1 0 382.496 2.138 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000418675481 648306958 /nfs/dbraw/zinc/30/69/58/648306958.db2.gz RAJKHFSIWLZJTI-SWLSCSKDSA-N 1 0 397.317 2.149 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418696736 648307700 /nfs/dbraw/zinc/30/77/00/648307700.db2.gz BBTJTVCPKURWPV-MNOVXSKESA-N 1 0 375.300 2.377 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H](CO)Cc2ccccc2Br)C1 ZINC000418718977 648308368 /nfs/dbraw/zinc/30/83/68/648308368.db2.gz KKGIUEKMNNXQHN-SQWLQELKSA-N 1 0 398.345 2.417 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC000418730570 648308678 /nfs/dbraw/zinc/30/86/78/648308678.db2.gz SMYVUHGNEYPESG-YQQAZPJKSA-N 1 0 398.345 2.417 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000418740439 648308758 /nfs/dbraw/zinc/30/87/58/648308758.db2.gz ZYHKQKZNWDFZFS-CQSZACIVSA-N 1 0 375.300 2.378 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418753528 648309314 /nfs/dbraw/zinc/30/93/14/648309314.db2.gz ASNYZALOSOSQAE-GDBMZVCRSA-N 1 0 377.897 2.475 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418766290 648310483 /nfs/dbraw/zinc/31/04/83/648310483.db2.gz PPDHRGSCHGCRAA-MRXNPFEDSA-N 1 0 383.334 2.273 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418766076 648310631 /nfs/dbraw/zinc/31/06/31/648310631.db2.gz MJWVNUFPXNMQOR-NEPJUHHUSA-N 1 0 385.306 2.428 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418767700 648310932 /nfs/dbraw/zinc/31/09/32/648310932.db2.gz QYACIKUSSSKJMU-AWEZNQCLSA-N 1 0 387.297 2.023 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H](CO)Cc1ccccc1Br ZINC000418766907 648310952 /nfs/dbraw/zinc/31/09/52/648310952.db2.gz KUOXSPJGEQRLLK-GOEBONIOSA-N 1 0 398.345 2.432 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418774556 648311769 /nfs/dbraw/zinc/31/17/69/648311769.db2.gz ZAGYCSXXMQJGRA-JKSUJKDBSA-N 1 0 397.361 2.315 20 0 GEADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418774553 648311803 /nfs/dbraw/zinc/31/18/03/648311803.db2.gz ZAGYCSXXMQJGRA-CVEARBPZSA-N 1 0 397.361 2.315 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000418773126 648311912 /nfs/dbraw/zinc/31/19/12/648311912.db2.gz XMGZZYHJUBNMTB-CVEARBPZSA-N 1 0 381.318 2.199 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)C1 ZINC000418779315 648312209 /nfs/dbraw/zinc/31/22/09/648312209.db2.gz BAGXYSGJWYEARB-UMVBOHGHSA-N 1 0 384.318 2.027 20 0 GEADRO O=C(CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1cccc(Br)c1 ZINC000418784928 648312715 /nfs/dbraw/zinc/31/27/15/648312715.db2.gz GQJSCYGOCJXAGO-LALPHHSUSA-N 1 0 395.301 2.075 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000418795760 648312913 /nfs/dbraw/zinc/31/29/13/648312913.db2.gz SLIAYSGXCZXDFD-WFASDCNBSA-N 1 0 376.284 2.095 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000418820009 648314072 /nfs/dbraw/zinc/31/40/72/648314072.db2.gz RLORYWKMBCGWOM-HZUKXOBISA-N 1 0 384.307 2.424 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000418823376 648314248 /nfs/dbraw/zinc/31/42/48/648314248.db2.gz YAFLAHFHRVTOIC-QOFRNUMZSA-N 1 0 384.307 2.409 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418822645 648314370 /nfs/dbraw/zinc/31/43/70/648314370.db2.gz WZQQDGDHJWBFJI-NFFDBFGFSA-N 1 0 382.291 2.033 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418824453 648314642 /nfs/dbraw/zinc/31/46/42/648314642.db2.gz JCXYPZSCMSHQLP-IVMMDQJWSA-N 1 0 394.313 2.022 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000418823799 648314847 /nfs/dbraw/zinc/31/48/47/648314847.db2.gz CKDWHONKAYHBBK-KGYLQXTDSA-N 1 0 388.295 2.135 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccc(Cl)cc1Cl ZINC000418839975 648316235 /nfs/dbraw/zinc/31/62/35/648316235.db2.gz XGLABPTYHRVOMT-PKFCDNJMSA-N 1 0 388.295 2.400 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000418870081 648320017 /nfs/dbraw/zinc/32/00/17/648320017.db2.gz SUJSPWNVNCUFAA-FMVWZJFZSA-N 1 0 380.286 2.026 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc(Br)cn1 ZINC000418868443 648320049 /nfs/dbraw/zinc/32/00/49/648320049.db2.gz PSDALADFLCAUCP-NHYWBVRUSA-N 1 0 397.317 2.045 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000418872909 648320380 /nfs/dbraw/zinc/32/03/80/648320380.db2.gz XHGMAZXESOQHIB-IUODEOHRSA-N 1 0 384.318 2.458 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21)[C@H]1CC[NH2+]C1 ZINC000418939140 648322948 /nfs/dbraw/zinc/32/29/48/648322948.db2.gz HDBHKVNGPJUBHS-GOEBONIOSA-N 1 0 394.313 2.153 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc(Br)cc1)C1CCCCC1 ZINC000418943052 648323320 /nfs/dbraw/zinc/32/33/20/648323320.db2.gz YFYVTLKXAYIOTD-HNNXBMFYSA-N 1 0 382.302 2.089 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418942409 648323380 /nfs/dbraw/zinc/32/33/80/648323380.db2.gz WUTDSZHJPSBUEI-UHFFFAOYSA-N 1 0 396.329 2.103 20 0 GEADRO O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)C(=O)N1CCC[NH2+]CC1 ZINC000418947524 648324173 /nfs/dbraw/zinc/32/41/73/648324173.db2.gz PTMKLZDTCBBLHU-MRXNPFEDSA-N 1 0 394.313 2.228 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418977700 648326455 /nfs/dbraw/zinc/32/64/55/648326455.db2.gz WFIMLGJOEWBCKB-CYBMUJFWSA-N 1 0 385.295 2.233 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1Br ZINC000418991296 648327001 /nfs/dbraw/zinc/32/70/01/648327001.db2.gz MJEBPLIQICIGPD-HNNXBMFYSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@@H]1CN(c2ncc(Br)c(OC(C)(C)C)n2)[C@@H](C)C[N@@H+]1CCO ZINC000419007215 648327104 /nfs/dbraw/zinc/32/71/04/648327104.db2.gz UCQCKBUUKYWXAF-NEPJUHHUSA-N 1 0 387.322 2.308 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419043784 648329480 /nfs/dbraw/zinc/32/94/80/648329480.db2.gz RSLSOYCUCVIQJW-SECBINFHSA-N 1 0 396.702 2.256 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419043846 648329493 /nfs/dbraw/zinc/32/94/93/648329493.db2.gz SBGOGGMRRMRGSH-CABCVRRESA-N 1 0 384.307 2.395 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000419045549 648329786 /nfs/dbraw/zinc/32/97/86/648329786.db2.gz SPVIBRMTERVORA-LPEHRKFASA-N 1 0 378.420 2.067 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419052146 648330473 /nfs/dbraw/zinc/33/04/73/648330473.db2.gz HNOAJEXNBLSLQA-GUTXKFCHSA-N 1 0 396.329 2.095 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC000419053061 648330648 /nfs/dbraw/zinc/33/06/48/648330648.db2.gz IYBBPCVYHOUSQW-AWEZNQCLSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419053670 648330732 /nfs/dbraw/zinc/33/07/32/648330732.db2.gz KIUDLLKDKJXTTH-CABCVRRESA-N 1 0 398.345 2.376 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419056326 648331100 /nfs/dbraw/zinc/33/11/00/648331100.db2.gz QPOUHIDITHYZPR-CYBMUJFWSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000419054930 648331179 /nfs/dbraw/zinc/33/11/79/648331179.db2.gz NBLWOLHCQHVRRY-ZFWWWQNUSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419058553 648331984 /nfs/dbraw/zinc/33/19/84/648331984.db2.gz WLSTYFOGFJHXQO-KBPBESRZSA-N 1 0 396.329 2.084 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl)C1CC1 ZINC000419090725 648333424 /nfs/dbraw/zinc/33/34/24/648333424.db2.gz CAHBLVQFICVPET-AWEZNQCLSA-N 1 0 390.336 2.196 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCCSCc2ccc(Cl)cc2Cl)CCC1 ZINC000419102074 648334191 /nfs/dbraw/zinc/33/41/91/648334191.db2.gz XTLJPOGMCVZSOE-UHFFFAOYSA-N 1 0 390.336 2.340 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419109056 648334998 /nfs/dbraw/zinc/33/49/98/648334998.db2.gz REUJFBVSXHGXKB-PWSUYJOCSA-N 1 0 380.901 2.200 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419124822 648335361 /nfs/dbraw/zinc/33/53/61/648335361.db2.gz IZSGYIMBGGBFII-HOTGVXAUSA-N 1 0 377.897 2.475 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419125966 648335484 /nfs/dbraw/zinc/33/54/84/648335484.db2.gz LTMVTXNYRQRENL-LRDDRELGSA-N 1 0 377.897 2.427 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419133904 648336287 /nfs/dbraw/zinc/33/62/87/648336287.db2.gz JCISVMKLHAVLTK-OLZOCXBDSA-N 1 0 388.295 2.265 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000419151753 648337042 /nfs/dbraw/zinc/33/70/42/648337042.db2.gz NQGVRXOYCPOMMV-ZDUSSCGKSA-N 1 0 394.313 2.228 20 0 GEADRO CCCN(C(=O)C(=O)NCc1ccccc1Br)C1CC[NH2+]CC1 ZINC000419143521 648337175 /nfs/dbraw/zinc/33/71/75/648337175.db2.gz IIXDJXCCIYXCBF-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419144133 648337197 /nfs/dbraw/zinc/33/71/97/648337197.db2.gz ZSUAWHIPMFJNIT-VXGBXAGGSA-N 1 0 388.693 2.105 20 0 GEADRO C[C@H](NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000419151147 648337237 /nfs/dbraw/zinc/33/72/37/648337237.db2.gz NEBMEWCXAYJNCF-WFASDCNBSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000419152530 648337703 /nfs/dbraw/zinc/33/77/03/648337703.db2.gz OLVCSDODHCIGFP-SGMGOOAPSA-N 1 0 382.302 2.131 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1Br ZINC000419168351 648338771 /nfs/dbraw/zinc/33/87/71/648338771.db2.gz RRQONKORKFJHQZ-HNNXBMFYSA-N 1 0 396.329 2.398 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000419167056 648338831 /nfs/dbraw/zinc/33/88/31/648338831.db2.gz CFDFDNOZOVIUPL-LBPRGKRZSA-N 1 0 384.307 2.352 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419189216 648340598 /nfs/dbraw/zinc/34/05/98/648340598.db2.gz PFYPDCYANMQIIC-ZDUSSCGKSA-N 1 0 398.345 2.333 20 0 GEADRO CC1(CNC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000419199700 648341158 /nfs/dbraw/zinc/34/11/58/648341158.db2.gz AEUBVOPMWOPBCA-CQSZACIVSA-N 1 0 381.929 2.499 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C[C@H]1C[NH3+] ZINC000419215159 648342077 /nfs/dbraw/zinc/34/20/77/648342077.db2.gz LNTXQTUKQAXCBT-LALPHHSUSA-N 1 0 381.929 2.436 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C[C@@H]1C[NH3+] ZINC000419215161 648342097 /nfs/dbraw/zinc/34/20/97/648342097.db2.gz LNTXQTUKQAXCBT-XUJVJEKNSA-N 1 0 381.929 2.436 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCc1sccc1Br ZINC000419293820 648345221 /nfs/dbraw/zinc/34/52/21/648345221.db2.gz BHNCVILQQKHFOG-LBPRGKRZSA-N 1 0 388.331 2.021 20 0 GEADRO C[C@@H]1CN(CC(=O)Nc2nc(-c3cccs3)cs2)[C@@H](C)C[N@@H+]1CCO ZINC000419326422 648347129 /nfs/dbraw/zinc/34/71/29/648347129.db2.gz CEXZCBJIYZLEGQ-OLZOCXBDSA-N 1 0 380.539 2.197 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nnc(-c2ccccc2Br)o1 ZINC000419330122 648347476 /nfs/dbraw/zinc/34/74/76/648347476.db2.gz QKNXERSBNVIWDX-STQMWFEESA-N 1 0 395.301 2.386 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000419433738 648352647 /nfs/dbraw/zinc/35/26/47/648352647.db2.gz ZXKAPXUCWHARBJ-NWDGAFQWSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419442918 648352725 /nfs/dbraw/zinc/35/27/25/648352725.db2.gz RKTORSIKUJKVKZ-RBSFLKMASA-N 1 0 398.345 2.477 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1sccc1Br ZINC000419434308 648352739 /nfs/dbraw/zinc/35/27/39/648352739.db2.gz IVNRIBNZIZODQG-WDEREUQCSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(F)cc(Br)c2)[C@@H](C)C[N@@H+]1CCO ZINC000419433737 648352927 /nfs/dbraw/zinc/35/29/27/648352927.db2.gz ZXKAPXUCWHARBJ-NEPJUHHUSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1ccc(Br)c(F)c1 ZINC000419451834 648353511 /nfs/dbraw/zinc/35/35/11/648353511.db2.gz VPJIACVGJLDJST-VXGBXAGGSA-N 1 0 388.281 2.185 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000419521573 648356092 /nfs/dbraw/zinc/35/60/92/648356092.db2.gz KKCCQQKWNFILME-DOMZBBRYSA-N 1 0 396.329 2.087 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000419520685 648356176 /nfs/dbraw/zinc/35/61/76/648356176.db2.gz IPAOQJWDXSXSGU-CHWSQXEVSA-N 1 0 396.329 2.039 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419580356 648356682 /nfs/dbraw/zinc/35/66/82/648356682.db2.gz ZLCXGBACQXGIQC-UPJWGTAASA-N 1 0 384.307 2.109 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000419585626 648356989 /nfs/dbraw/zinc/35/69/89/648356989.db2.gz GKQSRZTYTFUBNO-GFCCVEGCSA-N 1 0 386.323 2.499 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419594291 648357261 /nfs/dbraw/zinc/35/72/61/648357261.db2.gz YYWPGDHHQPTNRE-HZPDHXFCSA-N 1 0 396.329 2.384 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)C1 ZINC000419604450 648357824 /nfs/dbraw/zinc/35/78/24/648357824.db2.gz ZNTIMIGGTGFQEC-QWHCGFSZSA-N 1 0 386.323 2.499 20 0 GEADRO O=C(NCc1cccc(Br)c1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419625860 648358428 /nfs/dbraw/zinc/35/84/28/648358428.db2.gz BPDJVYDHRUIXCQ-INIZCTEOSA-N 1 0 394.313 2.056 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCCOC1 ZINC000419673107 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20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419714511 648370044 /nfs/dbraw/zinc/37/00/44/648370044.db2.gz SYCGGVMIYZFLGA-DCAQKATOSA-N 1 0 388.331 2.416 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419714622 648370066 /nfs/dbraw/zinc/37/00/66/648370066.db2.gz TXAWPZVDRAVXTC-GHMZBOCLSA-N 1 0 388.331 2.194 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419719105 648370847 /nfs/dbraw/zinc/37/08/47/648370847.db2.gz WXJIPLBBLJGRDV-UWVGGRQHSA-N 1 0 376.320 2.177 20 0 GEADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419749755 648374460 /nfs/dbraw/zinc/37/44/60/648374460.db2.gz HJPCEYHPDRQAFU-OAHLLOKOSA-N 1 0 384.307 2.467 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000419754642 648375344 /nfs/dbraw/zinc/37/53/44/648375344.db2.gz AOYIIDRQEFEXAB-CABCVRRESA-N 1 0 398.276 2.105 20 0 GEADRO CO[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000419757353 648375351 /nfs/dbraw/zinc/37/53/51/648375351.db2.gz CKDWHONKAYHBBK-DRZSPHRISA-N 1 0 388.295 2.135 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000419759960 648375764 /nfs/dbraw/zinc/37/57/64/648375764.db2.gz MZQBXJIUWIHCCP-SNVBAGLBSA-N 1 0 396.221 2.161 20 0 GEADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419763105 648375872 /nfs/dbraw/zinc/37/58/72/648375872.db2.gz FDIPVDSUNPHCDO-IUODEOHRSA-N 1 0 386.323 2.499 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000419769469 648376631 /nfs/dbraw/zinc/37/66/31/648376631.db2.gz CRFPXUPMILOQGQ-CABCVRRESA-N 1 0 398.276 2.009 20 0 GEADRO CC[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1cc(F)cc(Br)c1 ZINC000419773416 648377380 /nfs/dbraw/zinc/37/73/80/648377380.db2.gz HGCPOZLWODUYCW-KGLIPLIRSA-N 1 0 386.265 2.105 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)n1C ZINC000419779576 648378309 /nfs/dbraw/zinc/37/83/09/648378309.db2.gz JDMRZNBHEMVBPY-ZDUSSCGKSA-N 1 0 399.308 2.329 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419800761 648379522 /nfs/dbraw/zinc/37/95/22/648379522.db2.gz AERBCYVDZXWXFR-ZENOOKHLSA-N 1 0 396.329 2.082 20 0 GEADRO CC(C)(CNC(=O)C(=O)NC1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000419816925 648381739 /nfs/dbraw/zinc/38/17/39/648381739.db2.gz LHYFLYPDTZOOAA-UHFFFAOYSA-N 1 0 396.329 2.229 20 0 GEADRO OC[C@@H]([NH2+]Cc1c(Br)cncc1Br)[C@@H]1CCCOC1 ZINC000419819309 648381871 /nfs/dbraw/zinc/38/18/71/648381871.db2.gz NFDOHGTVIIDLHB-NOZJJQNGSA-N 1 0 394.107 2.484 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419825435 648382795 /nfs/dbraw/zinc/38/27/95/648382795.db2.gz RCROSHIALZQXOD-STQMWFEESA-N 1 0 396.329 2.039 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419825567 648382816 /nfs/dbraw/zinc/38/28/16/648382816.db2.gz QEFNHSGSZRBTGF-HIFRSBDPSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419831651 648383070 /nfs/dbraw/zinc/38/30/70/648383070.db2.gz UZUNNSADCFCKIH-IPYPFGDCSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C[C@@H](C)[NH2+]1 ZINC000419830404 648383137 /nfs/dbraw/zinc/38/31/37/648383137.db2.gz VZFWMQKAJQQIHP-CHWSQXEVSA-N 1 0 396.329 2.052 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)NCCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000419831062 648383150 /nfs/dbraw/zinc/38/31/50/648383150.db2.gz KZWBJFQRUZCTBU-NSHDSACASA-N 1 0 376.284 2.074 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000419834215 648383649 /nfs/dbraw/zinc/38/36/49/648383649.db2.gz WWENKYFZCZVEMV-STQMWFEESA-N 1 0 396.329 2.082 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838537 648384282 /nfs/dbraw/zinc/38/42/82/648384282.db2.gz FZMQALMRRQVATG-CQSZACIVSA-N 1 0 382.302 2.056 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC2CC[NH2+]CC2)ccc1Br ZINC000419843030 648384325 /nfs/dbraw/zinc/38/43/25/648384325.db2.gz AAJXXWNJJCQJBT-MRXNPFEDSA-N 1 0 394.313 2.289 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419848731 648384947 /nfs/dbraw/zinc/38/49/47/648384947.db2.gz WTUDYFZWJYKXIA-HNNXBMFYSA-N 1 0 382.302 2.054 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419848507 648384967 /nfs/dbraw/zinc/38/49/67/648384967.db2.gz VZQYOSNSFGYTBB-MRXNPFEDSA-N 1 0 394.313 2.023 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000419843418 648385016 /nfs/dbraw/zinc/38/50/16/648385016.db2.gz JMSOEKFGRVQTDM-OAHLLOKOSA-N 1 0 382.302 2.147 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419867281 648386387 /nfs/dbraw/zinc/38/63/87/648386387.db2.gz HDFFVOLYHGCKQK-CYBMUJFWSA-N 1 0 388.295 2.089 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000419889797 648386693 /nfs/dbraw/zinc/38/66/93/648386693.db2.gz HJZVNZMLVOXECZ-PMPSAXMXSA-N 1 0 381.929 2.343 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419902628 648387293 /nfs/dbraw/zinc/38/72/93/648387293.db2.gz VFVAOVUTZNODHD-OAHLLOKOSA-N 1 0 382.302 2.054 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419901650 648387411 /nfs/dbraw/zinc/38/74/11/648387411.db2.gz UBLNFZNLUOCNHE-UONOGXRCSA-N 1 0 396.329 2.220 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419936899 648389882 /nfs/dbraw/zinc/38/98/82/648389882.db2.gz MATOUQGBLAMTIS-MRXNPFEDSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000419947217 648390735 /nfs/dbraw/zinc/39/07/35/648390735.db2.gz WOTVKQALTBBKQR-CYBMUJFWSA-N 1 0 396.329 2.431 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419956175 648391163 /nfs/dbraw/zinc/39/11/63/648391163.db2.gz ABPZZXDCAFOQFV-ZDUSSCGKSA-N 1 0 386.290 2.024 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419975347 648392358 /nfs/dbraw/zinc/39/23/58/648392358.db2.gz AJZVYCFJNBRGHM-BBRMVZONSA-N 1 0 394.313 2.184 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000419982445 648392827 /nfs/dbraw/zinc/39/28/27/648392827.db2.gz SUMCYGONETUVQP-OAHLLOKOSA-N 1 0 384.318 2.286 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419990424 648393763 /nfs/dbraw/zinc/39/37/63/648393763.db2.gz HTVFMNMNTCUCEQ-QWRGUYRKSA-N 1 0 376.284 2.073 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000419997271 648394165 /nfs/dbraw/zinc/39/41/65/648394165.db2.gz OFXKIVOEOZWRPU-HZMBPMFUSA-N 1 0 386.265 2.105 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(Br)c2c1OCCC2 ZINC000419998597 648394208 /nfs/dbraw/zinc/39/42/08/648394208.db2.gz NCIUOYFHBAVPQQ-KRWDZBQOSA-N 1 0 385.302 2.207 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000420000686 648394469 /nfs/dbraw/zinc/39/44/69/648394469.db2.gz QFNQEGKDQAGCFY-MRXNPFEDSA-N 1 0 386.283 2.007 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCc1cccc(F)c1Br ZINC000420000731 648394592 /nfs/dbraw/zinc/39/45/92/648394592.db2.gz QJYBZJLFJFAXFZ-INIZCTEOSA-N 1 0 375.282 2.340 20 0 GEADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420009034 648395557 /nfs/dbraw/zinc/39/55/57/648395557.db2.gz VFUHKXZYCJVXDF-LLVKDONJSA-N 1 0 388.281 2.179 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000420013476 648395887 /nfs/dbraw/zinc/39/58/87/648395887.db2.gz LHRJPNXDXFFMMU-LLVKDONJSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000420042372 648397387 /nfs/dbraw/zinc/39/73/87/648397387.db2.gz QMDKCPAYXLOVGG-HZMBPMFUSA-N 1 0 388.295 2.181 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000420040822 648397519 /nfs/dbraw/zinc/39/75/19/648397519.db2.gz AXDKDWDCLQGTGC-UHFFFAOYSA-N 1 0 396.329 2.183 20 0 GEADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000420051892 648398223 /nfs/dbraw/zinc/39/82/23/648398223.db2.gz FHORZTSCNUWQRR-HZMBPMFUSA-N 1 0 388.295 2.181 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000420066043 648399304 /nfs/dbraw/zinc/39/93/04/648399304.db2.gz YSFHBEZWNCRJQL-UHFFFAOYSA-N 1 0 382.302 2.041 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000420082979 648400122 /nfs/dbraw/zinc/40/01/22/648400122.db2.gz VTKQWVFMHXAPMN-CYBMUJFWSA-N 1 0 386.265 2.105 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000420079266 648400172 /nfs/dbraw/zinc/40/01/72/648400172.db2.gz HFPKJEZSJGYFBY-UHFFFAOYSA-N 1 0 376.320 2.103 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCC2)ccc1Br ZINC000420092971 648401173 /nfs/dbraw/zinc/40/11/73/648401173.db2.gz OZOBEKCORXTMST-OAHLLOKOSA-N 1 0 394.313 2.419 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC[NH2+]1 ZINC000420098545 648401470 /nfs/dbraw/zinc/40/14/70/648401470.db2.gz ASSHVDBXFMTDSF-SWLSCSKDSA-N 1 0 394.313 2.197 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420127239 648403815 /nfs/dbraw/zinc/40/38/15/648403815.db2.gz OTGFINPLIRIKEG-KCXAZCMYSA-N 1 0 394.313 2.227 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420135413 648404265 /nfs/dbraw/zinc/40/42/65/648404265.db2.gz VGTFBKVKKVGZMP-GXTWGEPZSA-N 1 0 382.302 2.054 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCc2c(Br)cccc2[C@H]1C ZINC000420158095 648406489 /nfs/dbraw/zinc/40/64/89/648406489.db2.gz PZARGBYREWLPCX-VXGBXAGGSA-N 1 0 382.302 2.009 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000420175297 648407721 /nfs/dbraw/zinc/40/77/21/648407721.db2.gz VBEJUTPSKUHLDH-SNVBAGLBSA-N 1 0 390.709 2.175 20 0 GEADRO Ic1cccc2ncnc(NCC[C@H]3CCC[NH2+]C3)c12 ZINC000420189635 648408869 /nfs/dbraw/zinc/40/88/69/648408869.db2.gz GICHFFLEBVJRTP-LLVKDONJSA-N 1 0 382.249 3.036 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420189751 648408884 /nfs/dbraw/zinc/40/88/84/648408884.db2.gz OLWUFPDBYSDVTO-FRRDWIJNSA-N 1 0 382.302 2.212 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420210657 648409239 /nfs/dbraw/zinc/40/92/39/648409239.db2.gz SIKGGVXTRFQAKU-WFASDCNBSA-N 1 0 382.302 2.041 20 0 GEADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420206499 648409314 /nfs/dbraw/zinc/40/93/14/648409314.db2.gz KEUSTOZRFIPCPB-KWCYVHTRSA-N 1 0 384.307 2.456 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000420219624 648410280 /nfs/dbraw/zinc/41/02/80/648410280.db2.gz YTHYLKKOBUIIHQ-WFASDCNBSA-N 1 0 394.313 2.184 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000420219614 648410408 /nfs/dbraw/zinc/41/04/08/648410408.db2.gz YSNJPYAJVXXBJL-UHOFOFEASA-N 1 0 394.313 2.356 20 0 GEADRO Cc1ccc(-n2ncc(NC[C@H]3C[NH2+]CCN3C)c(Cl)c2=O)cc1Cl ZINC000420265891 648412308 /nfs/dbraw/zinc/41/23/08/648412308.db2.gz FMIUJAQJZFUOFM-CYBMUJFWSA-N 1 0 382.295 2.163 20 0 GEADRO CC(C)Cc1ncnc(N2CC[NH2+]C[C@](C)(F)C2)c1I ZINC000420271907 648412446 /nfs/dbraw/zinc/41/24/46/648412446.db2.gz WCQQPOKWWQXMOZ-AWEZNQCLSA-N 1 0 392.260 2.418 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000420350962 648413626 /nfs/dbraw/zinc/41/36/26/648413626.db2.gz VJLAMZFAQPBIDO-HUUCEWRRSA-N 1 0 395.345 2.064 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NCC(=O)Nc1cccc(I)c1 ZINC000420357931 648414071 /nfs/dbraw/zinc/41/40/71/648414071.db2.gz IECQMSQNEGIKNZ-GFCCVEGCSA-N 1 0 375.254 2.193 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(O)(C[NH3+])CC1 ZINC000420401607 648415884 /nfs/dbraw/zinc/41/58/84/648415884.db2.gz GVSKYSLPBJXPLG-JTQLQIEISA-N 1 0 379.810 2.471 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420407336 648415989 /nfs/dbraw/zinc/41/59/89/648415989.db2.gz SBNVLQKDCPASIV-MRXNPFEDSA-N 1 0 399.276 2.366 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1Cl ZINC000420434966 648416487 /nfs/dbraw/zinc/41/64/87/648416487.db2.gz RVCFYLGPOGDLJF-XVKPBYJWSA-N 1 0 383.695 2.221 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCCC[NH2+]C3CC3)ccc2s1 ZINC000420444699 648416497 /nfs/dbraw/zinc/41/64/97/648416497.db2.gz CXVPWHRKEZSVES-UHFFFAOYSA-N 1 0 382.507 2.498 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cn1 ZINC000420446990 648416890 /nfs/dbraw/zinc/41/68/90/648416890.db2.gz IOKDJXASVZJURU-OAHLLOKOSA-N 1 0 386.905 2.186 20 0 GEADRO [NH3+]CC[C@H](NS(=O)(=O)c1cccc(Cl)c1Br)C(F)F ZINC000420464808 648418025 /nfs/dbraw/zinc/41/80/25/648418025.db2.gz PLQNRPIVWWVFGI-ZETCQYMHSA-N 1 0 377.638 2.363 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000420469942 648419307 /nfs/dbraw/zinc/41/93/07/648419307.db2.gz WGOIRMDNKPSJSQ-UKRRQHHQSA-N 1 0 386.901 2.279 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000420473594 648420285 /nfs/dbraw/zinc/42/02/85/648420285.db2.gz DREDBAPITXTJQR-NEPJUHHUSA-N 1 0 391.331 2.453 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCCO1 ZINC000420474204 648420346 /nfs/dbraw/zinc/42/03/46/648420346.db2.gz XEAHTSCCZBYHHT-ZDUSSCGKSA-N 1 0 387.914 2.202 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000420478870 648421440 /nfs/dbraw/zinc/42/14/40/648421440.db2.gz MAZGQRKZSXCTAE-CYBMUJFWSA-N 1 0 390.296 2.069 20 0 GEADRO CNC(=O)[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000420969561 648459650 /nfs/dbraw/zinc/45/96/50/648459650.db2.gz FAZMWCVJMDTABD-GFCCVEGCSA-N 1 0 388.249 2.128 20 0 GEADRO COC1([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000421042836 648463090 /nfs/dbraw/zinc/46/30/90/648463090.db2.gz ZRNUZIMQLYREBY-UKRRQHHQSA-N 1 0 388.302 2.363 20 0 GEADRO O=C1CNC(=O)N1CC[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421043955 648463109 /nfs/dbraw/zinc/46/31/09/648463109.db2.gz RQSJSYBCLJTFBH-HNNXBMFYSA-N 1 0 380.286 2.398 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)C(=O)N2CCc3c2cccc3Br)CC1 ZINC000421192982 648469248 /nfs/dbraw/zinc/46/92/48/648469248.db2.gz HSBPTSZTNBSPIX-UHFFFAOYSA-N 1 0 394.313 2.186 20 0 GEADRO CC[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)OC ZINC000421230790 648474968 /nfs/dbraw/zinc/47/49/68/648474968.db2.gz VNYMVKJUYJQJLE-AWEZNQCLSA-N 1 0 375.922 2.259 20 0 GEADRO C[N@H+](CCCCNC(=O)C(=O)NCc1ccc(Br)cc1)C1CC1 ZINC000421230751 648475047 /nfs/dbraw/zinc/47/50/47/648475047.db2.gz VJJANZHXLAWPHW-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1Br ZINC000421292126 648484693 /nfs/dbraw/zinc/48/46/93/648484693.db2.gz AHJTWNGXRAIVMS-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000421377083 648488574 /nfs/dbraw/zinc/48/85/74/648488574.db2.gz HJIDPOZITKTIFS-ZDUSSCGKSA-N 1 0 385.302 2.432 20 0 GEADRO CON1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000421397757 648490058 /nfs/dbraw/zinc/49/00/58/648490058.db2.gz MVZNYIHEPLUNSX-UHFFFAOYSA-N 1 0 384.318 2.401 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000421699440 648505003 /nfs/dbraw/zinc/50/50/03/648505003.db2.gz BBEVTVKTICWENM-KGLIPLIRSA-N 1 0 394.313 2.355 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000421699442 648505232 /nfs/dbraw/zinc/50/52/32/648505232.db2.gz BBEVTVKTICWENM-ZIAGYGMSSA-N 1 0 394.313 2.355 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000422069177 648519335 /nfs/dbraw/zinc/51/93/35/648519335.db2.gz DHSVLFDVWSMRNK-GJZGRUSLSA-N 1 0 394.313 2.117 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000422069181 648519450 /nfs/dbraw/zinc/51/94/50/648519450.db2.gz DHSVLFDVWSMRNK-LSDHHAIUSA-N 1 0 394.313 2.117 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000422087925 648520402 /nfs/dbraw/zinc/52/04/02/648520402.db2.gz RJZIBMOTBXHEJY-JKSUJKDBSA-N 1 0 394.313 2.117 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)C(=O)NCc2cc(Br)cs2)CC1 ZINC000422104684 648522447 /nfs/dbraw/zinc/52/24/47/648522447.db2.gz SXIVIRAKTZJICD-UHFFFAOYSA-N 1 0 388.331 2.116 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422124615 648523966 /nfs/dbraw/zinc/52/39/66/648523966.db2.gz AKQWGHGLZSNFKX-CZUORRHYSA-N 1 0 396.329 2.049 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000422274743 648532243 /nfs/dbraw/zinc/53/22/43/648532243.db2.gz YYSRURNJXMQEFF-HIFRSBDPSA-N 1 0 381.567 2.087 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000422325506 648536667 /nfs/dbraw/zinc/53/66/67/648536667.db2.gz ZKNGJGWQPAKHJP-GJZGRUSLSA-N 1 0 396.329 2.363 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000422406695 648543956 /nfs/dbraw/zinc/54/39/56/648543956.db2.gz AVTYGYXNMMLLRI-OCCSQVGLSA-N 1 0 394.313 2.115 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000422499410 648551811 /nfs/dbraw/zinc/55/18/11/648551811.db2.gz ZLVWNIDRVDEECZ-AWEZNQCLSA-N 1 0 396.329 2.222 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000422515962 648555041 /nfs/dbraw/zinc/55/50/41/648555041.db2.gz IXRHENYTWYQTBP-HIFRSBDPSA-N 1 0 396.329 2.315 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cc(C)ccc2Br)C1 ZINC000422521547 648556385 /nfs/dbraw/zinc/55/63/85/648556385.db2.gz SPZYJFSBVKXAJL-AWEZNQCLSA-N 1 0 396.329 2.174 20 0 GEADRO CCOC(=O)c1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])c(Br)c1 ZINC000422550481 648558187 /nfs/dbraw/zinc/55/81/87/648558187.db2.gz BHHMQZJRSCZYRU-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)C1 ZINC000422548333 648558209 /nfs/dbraw/zinc/55/82/09/648558209.db2.gz YTKHADRZNJTPHR-CHWSQXEVSA-N 1 0 394.313 2.105 20 0 GEADRO CC(=O)Nc1cc(C)c(S(=O)(=O)NC(C)(C)CC[NH3+])cc1Br ZINC000422553977 648558726 /nfs/dbraw/zinc/55/87/26/648558726.db2.gz VQWIEMDBPLZKNS-UHFFFAOYSA-N 1 0 392.319 2.122 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422558671 648559105 /nfs/dbraw/zinc/55/91/05/648559105.db2.gz ZHYUZUIINLRJSF-SRVKXCTJSA-N 1 0 391.331 2.452 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422558672 648559171 /nfs/dbraw/zinc/55/91/71/648559171.db2.gz ZHYUZUIINLRJSF-TUAOUCFPSA-N 1 0 391.331 2.452 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000422608148 648562076 /nfs/dbraw/zinc/56/20/76/648562076.db2.gz VALVXFFUICDCFH-UHFFFAOYSA-N 1 0 378.786 2.328 20 0 GEADRO CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)s1 ZINC000422618951 648563005 /nfs/dbraw/zinc/56/30/05/648563005.db2.gz RZODXJFHETWCRY-KBPBESRZSA-N 1 0 382.482 2.248 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422627503 648563603 /nfs/dbraw/zinc/56/36/03/648563603.db2.gz OYOYVNNRKBRWOH-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)COc1cccc(Cl)c1Cl ZINC000422903712 648576235 /nfs/dbraw/zinc/57/62/35/648576235.db2.gz OXINYEISNFNOCD-PVUWLOKVSA-N 1 0 375.296 2.090 20 0 GEADRO CN(Cc1cc(Br)ccc1F)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000423128352 648583414 /nfs/dbraw/zinc/58/34/14/648583414.db2.gz VTLNIEOMZDHZGP-UHFFFAOYSA-N 1 0 384.253 2.191 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423130237 648584021 /nfs/dbraw/zinc/58/40/21/648584021.db2.gz GGRYWLRZHPOLMI-LLVKDONJSA-N 1 0 388.331 2.056 20 0 GEADRO CC(C)[C@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H](C)[NH3+] ZINC000423136343 648584088 /nfs/dbraw/zinc/58/40/88/648584088.db2.gz PDOQSUSVLSHJLW-YGRLFVJLSA-N 1 0 380.290 2.470 20 0 GEADRO C[C@H](C[C@@H]1COCC[NH2+]1)NCc1c(Br)cncc1Br ZINC000423163498 648585468 /nfs/dbraw/zinc/58/54/68/648585468.db2.gz VPVWQLURVCWFQF-NXEZZACHSA-N 1 0 393.123 2.463 20 0 GEADRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1nn(C)cc1I ZINC000423165351 648586044 /nfs/dbraw/zinc/58/60/44/648586044.db2.gz UKXFJPZZQNEOJL-BXUZGUMPSA-N 1 0 384.265 2.073 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000423165183 648586055 /nfs/dbraw/zinc/58/60/55/648586055.db2.gz ASMLDSAOJXMATJ-MRXNPFEDSA-N 1 0 394.313 2.323 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000423170166 648586161 /nfs/dbraw/zinc/58/61/61/648586161.db2.gz LEDYUWDPMCIZOL-BBRMVZONSA-N 1 0 394.313 2.181 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423171912 648586764 /nfs/dbraw/zinc/58/67/64/648586764.db2.gz QMKCXHVSQAUDBJ-JGGQBBKZSA-N 1 0 394.313 2.308 20 0 GEADRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170271 648586776 /nfs/dbraw/zinc/58/67/76/648586776.db2.gz LMNPZGIAWXLIBF-IFIJOSMWSA-N 1 0 389.309 2.096 20 0 GEADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423175194 648587304 /nfs/dbraw/zinc/58/73/04/648587304.db2.gz DIJYHAXLDUALCB-ZIAGYGMSSA-N 1 0 384.307 2.410 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000423269310 648588854 /nfs/dbraw/zinc/58/88/54/648588854.db2.gz FJGXTOQNFXVUKA-UHFFFAOYSA-N 1 0 382.262 2.429 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423269531 648588994 /nfs/dbraw/zinc/58/89/94/648588994.db2.gz HDPFDIYKVZGBCK-ZDUSSCGKSA-N 1 0 380.290 2.141 20 0 GEADRO CC[C@H](NC(=O)c1cn(CCCC[NH3+])nn1)c1nc(C(F)(F)F)cs1 ZINC000423281620 648589028 /nfs/dbraw/zinc/58/90/28/648589028.db2.gz VVSBBPLNIOVAOU-VIFPVBQESA-N 1 0 376.408 2.373 20 0 GEADRO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)s1 ZINC000423386936 648590475 /nfs/dbraw/zinc/59/04/75/648590475.db2.gz LSZWRXHGVAYMIF-DTWKUNHWSA-N 1 0 387.269 2.392 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000423467287 648591676 /nfs/dbraw/zinc/59/16/76/648591676.db2.gz DMEFIWYYSHJOGA-QWHCGFSZSA-N 1 0 394.313 2.105 20 0 GEADRO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423478339 648592079 /nfs/dbraw/zinc/59/20/79/648592079.db2.gz LCEURSGTVVBGBI-JVXZTZIISA-N 1 0 388.267 2.289 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000423481681 648592128 /nfs/dbraw/zinc/59/21/28/648592128.db2.gz QJIKICSEIYFONJ-CQSZACIVSA-N 1 0 381.929 2.243 20 0 GEADRO CC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423475484 648592178 /nfs/dbraw/zinc/59/21/78/648592178.db2.gz IAVQJXORRYZESI-OCCSQVGLSA-N 1 0 381.876 2.286 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC000423488459 648592533 /nfs/dbraw/zinc/59/25/33/648592533.db2.gz ZACPECVMGBOXGJ-GFCCVEGCSA-N 1 0 384.307 2.336 20 0 GEADRO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(F)c(I)c1 ZINC000423490039 648592938 /nfs/dbraw/zinc/59/29/38/648592938.db2.gz HHWNMISYPNPMLY-PWSUYJOCSA-N 1 0 378.229 2.459 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CC[NH2+]1 ZINC000423501231 648593217 /nfs/dbraw/zinc/59/32/17/648593217.db2.gz BCCRTTWRMYDEFT-NHYWBVRUSA-N 1 0 398.276 2.072 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000423519834 648594128 /nfs/dbraw/zinc/59/41/28/648594128.db2.gz JMZAMRJXPNAIAU-ABAIWWIYSA-N 1 0 398.276 2.059 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423529992 648594647 /nfs/dbraw/zinc/59/46/47/648594647.db2.gz OWYHXABWYVFCHO-ZDUSSCGKSA-N 1 0 388.295 2.041 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)C1 ZINC000423529494 648594723 /nfs/dbraw/zinc/59/47/23/648594723.db2.gz VTQBFFJAZWDYGX-SWLSCSKDSA-N 1 0 398.276 2.072 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)c2ccccc2Br)C1 ZINC000423552168 648595159 /nfs/dbraw/zinc/59/51/59/648595159.db2.gz CNQAPOCTTYWBIP-CHWSQXEVSA-N 1 0 382.302 2.036 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000423562370 648595475 /nfs/dbraw/zinc/59/54/75/648595475.db2.gz GWHUZMQJRNDGPD-LBPRGKRZSA-N 1 0 382.291 2.416 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423560699 648595607 /nfs/dbraw/zinc/59/56/07/648595607.db2.gz LJWDTQFFUPOVOF-GFCCVEGCSA-N 1 0 384.318 2.412 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000423595383 648597064 /nfs/dbraw/zinc/59/70/64/648597064.db2.gz LIQSJVMWGOIVQY-AWEZNQCLSA-N 1 0 382.302 2.008 20 0 GEADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000423618865 648597609 /nfs/dbraw/zinc/59/76/09/648597609.db2.gz ZFBQVILDWMLCIK-UHFFFAOYSA-N 1 0 381.929 2.245 20 0 GEADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000423643866 648598172 /nfs/dbraw/zinc/59/81/72/648598172.db2.gz JIZTWNWILGAAPQ-INIZCTEOSA-N 1 0 394.313 2.105 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000423671360 648598982 /nfs/dbraw/zinc/59/89/82/648598982.db2.gz CBQFRCNVSHPJKY-INIZCTEOSA-N 1 0 381.929 2.243 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000423699927 648599865 /nfs/dbraw/zinc/59/98/65/648599865.db2.gz SEJJVGNMUWCONI-CZUORRHYSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CC[C@H]1[NH3+] ZINC000423726143 648600874 /nfs/dbraw/zinc/60/08/74/648600874.db2.gz IETKHLZONDJTTJ-UHOFOFEASA-N 1 0 381.929 2.229 20 0 GEADRO C[C@H](CN(C)C(=O)c1cn(CCC[NH3+])nn1)Oc1ccc(Cl)c(Cl)c1 ZINC000423805826 648602003 /nfs/dbraw/zinc/60/20/03/648602003.db2.gz DKVHCKFIXBIVEO-LLVKDONJSA-N 1 0 386.283 2.473 20 0 GEADRO [NH3+]CCCn1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)nn1 ZINC000423823237 648602008 /nfs/dbraw/zinc/60/20/08/648602008.db2.gz HULLFCSZFKZUGV-UHFFFAOYSA-N 1 0 377.754 2.474 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000423945710 648604199 /nfs/dbraw/zinc/60/41/99/648604199.db2.gz BFBCKVQXKJWUKR-SMDDNHRTSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)COc1ccc(I)cc1 ZINC000423946416 648604651 /nfs/dbraw/zinc/60/46/51/648604651.db2.gz IFUHVCCCEOPFTK-LBPRGKRZSA-N 1 0 376.238 2.160 20 0 GEADRO Cc1c(C(=O)N(C)[C@H](C[NH3+])C2CC2)nnn1-c1cccc(Br)c1 ZINC000423946866 648604714 /nfs/dbraw/zinc/60/47/14/648604714.db2.gz KCHJCIZWDLHTRT-CQSZACIVSA-N 1 0 378.274 2.148 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000423956081 648605232 /nfs/dbraw/zinc/60/52/32/648605232.db2.gz OLPJDXLPXINEKD-AWEZNQCLSA-N 1 0 395.301 2.039 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423960081 648605779 /nfs/dbraw/zinc/60/57/79/648605779.db2.gz RXGFBGGHIZVIDH-WPRPVWTQSA-N 1 0 376.320 2.119 20 0 GEADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)CCn1cc(Br)ccc1=O ZINC000423975781 648606279 /nfs/dbraw/zinc/60/62/79/648606279.db2.gz MDYAVFDLZSLYEO-MRXNPFEDSA-N 1 0 392.297 2.380 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423980681 648606809 /nfs/dbraw/zinc/60/68/09/648606809.db2.gz FHEPTQXVGWXBOE-BWACUDIHSA-N 1 0 382.302 2.011 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)Cc3cc(F)ccc3Br)C2)nn1 ZINC000423994265 648607437 /nfs/dbraw/zinc/60/74/37/648607437.db2.gz BZAGHTQXVNZGQG-CQSZACIVSA-N 1 0 396.264 2.045 20 0 GEADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423997036 648607981 /nfs/dbraw/zinc/60/79/81/648607981.db2.gz HAHVOBITFSGJSM-AWEZNQCLSA-N 1 0 378.274 2.285 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Br ZINC000424001118 648608654 /nfs/dbraw/zinc/60/86/54/648608654.db2.gz MULLHRMCSSFEMG-HUUCEWRRSA-N 1 0 398.301 2.217 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000424009449 648609829 /nfs/dbraw/zinc/60/98/29/648609829.db2.gz JIAWYLRKFPXOPQ-JKSUJKDBSA-N 1 0 395.297 2.377 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)C1CCC1 ZINC000424007717 648609836 /nfs/dbraw/zinc/60/98/36/648609836.db2.gz XUFFPPJEZMLQQJ-MRXNPFEDSA-N 1 0 384.293 2.360 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@H]1C[NH3+] ZINC000424069351 648610169 /nfs/dbraw/zinc/61/01/69/648610169.db2.gz ISCBNNHZBSRBSC-OUAUKWLOSA-N 1 0 396.285 2.225 20 0 GEADRO COCC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)CC1 ZINC000424114310 648614324 /nfs/dbraw/zinc/61/43/24/648614324.db2.gz QKBPUDBIDPMTQV-UHFFFAOYSA-N 1 0 397.321 2.120 20 0 GEADRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1=O ZINC000424213329 648619319 /nfs/dbraw/zinc/61/93/19/648619319.db2.gz UWHNNHOFOGSAEQ-JTQLQIEISA-N 1 0 377.185 2.288 20 0 GEADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424302609 648622827 /nfs/dbraw/zinc/62/28/27/648622827.db2.gz XVHUVCXLPHBTFW-JGGQBBKZSA-N 1 0 383.279 2.368 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424358559 648623314 /nfs/dbraw/zinc/62/33/14/648623314.db2.gz ASYKTXQSIYTSRI-VXGBXAGGSA-N 1 0 380.388 2.040 20 0 GEADRO CC[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000424333658 648623428 /nfs/dbraw/zinc/62/34/28/648623428.db2.gz WDVGUNVVUAODAX-WFASDCNBSA-N 1 0 387.933 2.157 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424395707 648626520 /nfs/dbraw/zinc/62/65/20/648626520.db2.gz VYNLVDFJOCLESL-GFCCVEGCSA-N 1 0 386.901 2.279 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424464316 648629637 /nfs/dbraw/zinc/62/96/37/648629637.db2.gz HUYFXCNMYVYDAA-NSHDSACASA-N 1 0 381.645 2.481 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000424469727 648629652 /nfs/dbraw/zinc/62/96/52/648629652.db2.gz ZLWVYZAQSSTJGN-CHWSQXEVSA-N 1 0 393.289 2.303 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424473883 648630056 /nfs/dbraw/zinc/63/00/56/648630056.db2.gz XAUFBYSTWIJXDK-QMMMGPOBSA-N 1 0 381.645 2.481 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000424663129 648637297 /nfs/dbraw/zinc/63/72/97/648637297.db2.gz YXHYFTZBBMNRQC-CYBMUJFWSA-N 1 0 384.318 2.132 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000424863528 648654684 /nfs/dbraw/zinc/65/46/84/648654684.db2.gz JOHZZNKRVNRGMK-ZDUSSCGKSA-N 1 0 385.302 2.343 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425062631 648663354 /nfs/dbraw/zinc/66/33/54/648663354.db2.gz DHUYDLPEGXRJFF-XHDPSFHLSA-N 1 0 381.270 2.402 20 0 GEADRO CCN(C)C(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425522265 648683693 /nfs/dbraw/zinc/68/36/93/648683693.db2.gz VKPRFKLMLVFTGZ-CABCVRRESA-N 1 0 383.286 2.116 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425813342 648698073 /nfs/dbraw/zinc/69/80/73/648698073.db2.gz OSCUYWZIOBEMCG-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(Br)ccc3F)[C@@H]2C1 ZINC000425816710 648698982 /nfs/dbraw/zinc/69/89/82/648698982.db2.gz GKNIICYBGJXULM-IINYFYTJSA-N 1 0 384.249 2.079 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1c(F)ccc(Br)c1F ZINC000426890398 648717981 /nfs/dbraw/zinc/71/79/81/648717981.db2.gz RQFXQTHFZICLIM-UHFFFAOYSA-N 1 0 377.229 2.304 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000428558548 648736986 /nfs/dbraw/zinc/73/69/86/648736986.db2.gz LNSOEMRSUVGZOJ-HIFRSBDPSA-N 1 0 386.334 2.240 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000428574604 648738156 /nfs/dbraw/zinc/73/81/56/648738156.db2.gz NHVLNGBWGAATBX-CQSZACIVSA-N 1 0 387.933 2.275 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000428606346 648741195 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COCC(=O)NC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000642626381 651473059 /nfs/dbraw/zinc/47/30/59/651473059.db2.gz QITOSGGCDHNXBN-UHFFFAOYSA-N 1 0 398.301 2.005 20 0 GEADRO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1Br ZINC000642651195 651473333 /nfs/dbraw/zinc/47/33/33/651473333.db2.gz DJFHISNTUDAJRH-ZDUSSCGKSA-N 1 0 396.329 2.101 20 0 GEADRO COC(=O)c1ccc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c(Br)c1 ZINC000603240346 651473387 /nfs/dbraw/zinc/47/33/87/651473387.db2.gz STBKVNUADJEQKV-LLVKDONJSA-N 1 0 379.258 2.028 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1Br ZINC000642651183 651473428 /nfs/dbraw/zinc/47/34/28/651473428.db2.gz BINRJFPECBCEEM-ZDUSSCGKSA-N 1 0 396.329 2.101 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000642719177 651473942 /nfs/dbraw/zinc/47/39/42/651473942.db2.gz KRJOYOOXRXSEJT-HZSPNIEDSA-N 1 0 377.312 2.120 20 0 GEADRO COc1c(Br)cc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc1Br ZINC000717318527 651475038 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GEADRO Ic1cnc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc1 ZINC000720406048 651476053 /nfs/dbraw/zinc/47/60/53/651476053.db2.gz LTZBRKIYFIVWGV-WDEREUQCSA-N 1 0 376.267 2.073 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000642981879 651476664 /nfs/dbraw/zinc/47/66/64/651476664.db2.gz KEMMFRSPCKUFDG-HOTGVXAUSA-N 1 0 381.929 2.215 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000561269008 651477224 /nfs/dbraw/zinc/47/72/24/651477224.db2.gz YQGPGCAJESTTGA-OAHLLOKOSA-N 1 0 387.571 2.139 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000643081365 651477420 /nfs/dbraw/zinc/47/74/20/651477420.db2.gz QUBFGINYGMUHJP-IKGGRYGDSA-N 1 0 396.329 2.194 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643069251 651477445 /nfs/dbraw/zinc/47/74/45/651477445.db2.gz QFAFYJRXHKGGAI-KMFMINBZSA-N 1 0 380.330 2.480 20 0 GEADRO C[C@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1(Cl)CC1 ZINC000721811225 651477583 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382.302 2.458 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000564656892 651573067 /nfs/dbraw/zinc/57/30/67/651573067.db2.gz YWMRBLGZDOVDAR-AWEZNQCLSA-N 1 0 398.859 2.031 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(NC(=S)NCC[N@H+](C)C2CCCC2)c1 ZINC000729645629 651573155 /nfs/dbraw/zinc/57/31/55/651573155.db2.gz TWDKXVCWEVCBET-UHFFFAOYSA-N 1 0 384.571 2.098 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1[nH]nc(C2CC2)c1Br ZINC000729626035 651573207 /nfs/dbraw/zinc/57/32/07/651573207.db2.gz SXCYHCCWDZIDGP-CYBMUJFWSA-N 1 0 397.317 2.423 20 0 GEADRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ncc(Br)cn1 ZINC000644969440 651580205 /nfs/dbraw/zinc/58/02/05/651580205.db2.gz RKMPJKNYGNJXSE-GFCCVEGCSA-N 1 0 391.273 2.227 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000607903165 651580816 /nfs/dbraw/zinc/58/08/16/651580816.db2.gz LFPDKVIWEBEIGS-HIFRSBDPSA-N 1 0 385.302 2.443 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000564982092 651585822 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GEADRO C[C@@H](C[NH2+]C[C@H](O)COC1CCOCC1)Oc1ccc(Br)cc1 ZINC000567685057 651634716 /nfs/dbraw/zinc/63/47/16/651634716.db2.gz UUQWZGOSHOPFBP-ZFWWWQNUSA-N 1 0 388.302 2.363 20 0 GEADRO CC1(C)[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]2CCO[C@@H]21 ZINC000567685464 651634784 /nfs/dbraw/zinc/63/47/84/651634784.db2.gz XXNFADSNBWRWRU-MAZHCROVSA-N 1 0 378.270 2.360 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccc(F)cc1 ZINC000567689456 651635103 /nfs/dbraw/zinc/63/51/03/651635103.db2.gz KGRWFCHQXZSOOE-CQSZACIVSA-N 1 0 387.860 2.282 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000567821516 651636235 /nfs/dbraw/zinc/63/62/35/651636235.db2.gz AZOKDJBPVRTWCX-KBPBESRZSA-N 1 0 383.334 2.402 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1[nH]nc2ccc(I)cc21 ZINC000567845145 651637633 /nfs/dbraw/zinc/63/76/33/651637633.db2.gz MEAGREGCIMJUDV-LLVKDONJSA-N 1 0 398.248 2.430 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)C[C@@H]2C1 ZINC000645687324 651637643 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CC[N@@H+]1CCCC[C@@H]1CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000732229987 651650349 /nfs/dbraw/zinc/65/03/49/651650349.db2.gz SYZONSOFLHTUSK-CABCVRRESA-N 1 0 388.965 2.169 20 0 GEADRO O=C(NCc1ccc(Br)cc1F)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000732245938 651651031 /nfs/dbraw/zinc/65/10/31/651651031.db2.gz KKCVFHZCXLIMHX-KBPBESRZSA-N 1 0 386.265 2.251 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1[nH]nc2ccc(I)cc21 ZINC000610291152 651654786 /nfs/dbraw/zinc/65/47/86/651654786.db2.gz DPCLNCUBWNSEGH-JTQLQIEISA-N 1 0 396.232 2.134 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000568215843 651656739 /nfs/dbraw/zinc/65/67/39/651656739.db2.gz BXBWGYIQGOMDRF-HNNXBMFYSA-N 1 0 384.318 2.085 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000568215844 651656747 /nfs/dbraw/zinc/65/67/47/651656747.db2.gz BXBWGYIQGOMDRF-OAHLLOKOSA-N 1 0 384.318 2.085 20 0 GEADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000645835459 651657638 /nfs/dbraw/zinc/65/76/38/651657638.db2.gz RYCIGKPSYNPHPX-CYBMUJFWSA-N 1 0 387.933 2.204 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2F)CC1 ZINC000732457280 651657925 /nfs/dbraw/zinc/65/79/25/651657925.db2.gz YBBUOUYISPTOQA-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000568511908 651670428 /nfs/dbraw/zinc/67/04/28/651670428.db2.gz ADMDTKJKMAKJIR-CHWSQXEVSA-N 1 0 396.329 2.229 20 0 GEADRO COC[C@H](C)OC[C@@H](O)C[NH2+]C1(c2cc(Br)ccc2OC)CC1 ZINC000645973751 651672177 /nfs/dbraw/zinc/67/21/77/651672177.db2.gz KPOKUVWKADYUNU-JSGCOSHPSA-N 1 0 388.302 2.449 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+]C1(c2cc(Br)ccc2OC)CC1 ZINC000645973750 651672417 /nfs/dbraw/zinc/67/24/17/651672417.db2.gz KPOKUVWKADYUNU-GXTWGEPZSA-N 1 0 388.302 2.449 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000568626979 651672633 /nfs/dbraw/zinc/67/26/33/651672633.db2.gz OEZWVYNUVUJSBC-ABAIWWIYSA-N 1 0 383.290 2.018 20 0 GEADRO COc1ccc(Br)cc1C1([NH2+]CCCS(=O)(=O)N(C)C)CC1 ZINC000645974279 651672902 /nfs/dbraw/zinc/67/29/02/651672902.db2.gz IUQVDKUXVIOARZ-UHFFFAOYSA-N 1 0 391.331 2.318 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCO[C@H](C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000646054359 651677188 /nfs/dbraw/zinc/67/71/88/651677188.db2.gz UEOPUSYXOSHDBE-AAEUAGOBSA-N 1 0 381.192 2.413 20 0 GEADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000732871822 651678664 /nfs/dbraw/zinc/67/86/64/651678664.db2.gz NRACDLMPGPUURF-BHYGNILZSA-N 1 0 389.323 2.264 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(Cl)cc(I)c1)Cn1cccn1 ZINC000568754169 651679686 /nfs/dbraw/zinc/67/96/86/651679686.db2.gz DVMPKEUKITWLQM-ZDUSSCGKSA-N 1 0 391.640 2.292 20 0 GEADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc(F)c(Br)cc1Cl ZINC000646174917 651680404 /nfs/dbraw/zinc/68/04/04/651680404.db2.gz OCMHXRMPPWSABI-OAHLLOKOSA-N 1 0 391.668 2.428 20 0 GEADRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(Cn3cc(Br)cn3)on2)[C@@H](C)C1 ZINC000568804998 651680666 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CN(CCOc1ccc(Br)cc1)C(=O)CN1CCC(C)([NH3+])CC1 ZINC000647926487 651765468 /nfs/dbraw/zinc/76/54/68/651765468.db2.gz DGYQPPDXSISWLQ-UHFFFAOYSA-N 1 0 384.318 2.100 20 0 GEADRO Cc1nnc2n1C[C@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000570421994 651766360 /nfs/dbraw/zinc/76/63/60/651766360.db2.gz GBMZNLUEBUOHQD-QWHCGFSZSA-N 1 0 385.295 2.485 20 0 GEADRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000570422223 651766536 /nfs/dbraw/zinc/76/65/36/651766536.db2.gz LSJRUHZNZLHFTD-UKRRQHHQSA-N 1 0 378.416 2.426 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccncc2I)C1 ZINC000612757142 651769557 /nfs/dbraw/zinc/76/95/57/651769557.db2.gz UYEPQWDLKFJRBH-NSHDSACASA-N 1 0 388.253 2.102 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000570513913 651771595 /nfs/dbraw/zinc/77/15/95/651771595.db2.gz FGRAILRBRVBYKZ-ZDUSSCGKSA-N 1 0 378.416 2.081 20 0 GEADRO COCCOC1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000648080102 651773855 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O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000572958208 651925075 /nfs/dbraw/zinc/92/50/75/651925075.db2.gz NLZPKUHXFVMGOV-TZMCWYRMSA-N 1 0 377.794 2.318 20 0 GEADRO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cc2c(cc1Br)OCCO2 ZINC000572974662 651926681 /nfs/dbraw/zinc/92/66/81/651926681.db2.gz JYZQMCFCWNLFRC-WDMOLILDSA-N 1 0 396.285 2.285 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cc2c(cc1Br)OCCO2 ZINC000572974661 651926931 /nfs/dbraw/zinc/92/69/31/651926931.db2.gz JYZQMCFCWNLFRC-GYSYKLTISA-N 1 0 396.285 2.285 20 0 GEADRO CN(C)C(=O)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572992255 651927441 /nfs/dbraw/zinc/92/74/41/651927441.db2.gz AFAUTLBQAHOVRT-LBPRGKRZSA-N 1 0 393.709 2.300 20 0 GEADRO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000740913823 651930451 /nfs/dbraw/zinc/93/04/51/651930451.db2.gz JDTCUMRUQMJBLM-YWPYICTPSA-N 1 0 388.295 2.189 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000573047623 651931086 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[NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)c1ccc(Br)cc1)C2 ZINC000653197889 651935653 /nfs/dbraw/zinc/93/56/53/651935653.db2.gz ZPLMMQZURMAZDI-KSSFIOAISA-N 1 0 394.313 2.156 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000653257915 651937356 /nfs/dbraw/zinc/93/73/56/651937356.db2.gz BHLYFNINKURJJH-DFBGVHRSSA-N 1 0 398.301 2.359 20 0 GEADRO COc1ncc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000653259214 651937370 /nfs/dbraw/zinc/93/73/70/651937370.db2.gz TVODQNFUJXDDQO-BPLDGKMQSA-N 1 0 398.301 2.354 20 0 GEADRO O=C(Nc1cc(Br)c[nH]c1=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573157371 651937537 /nfs/dbraw/zinc/93/75/37/651937537.db2.gz DCNYPMBHSDOHCF-KRWDZBQOSA-N 1 0 392.253 2.125 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000653271261 651938023 /nfs/dbraw/zinc/93/80/23/651938023.db2.gz SZLRKUZOHYHYPS-UHFFFAOYSA-N 1 0 378.270 2.410 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000573208861 651941913 /nfs/dbraw/zinc/94/19/13/651941913.db2.gz RYMIPXHZGYKINH-NWDGAFQWSA-N 1 0 391.331 2.245 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000653361996 651942877 /nfs/dbraw/zinc/94/28/77/651942877.db2.gz ALKJTDRHSSHNBG-UHFFFAOYSA-N 1 0 384.318 2.159 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(Cl)c1 ZINC000573239446 651943764 /nfs/dbraw/zinc/94/37/64/651943764.db2.gz OANUONWVAVGRLW-CYBMUJFWSA-N 1 0 390.933 2.062 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000617415896 651945431 /nfs/dbraw/zinc/94/54/31/651945431.db2.gz TWLYGYYFQDPRPL-DZGCQCFKSA-N 1 0 380.286 2.012 20 0 GEADRO O=C(NCCSC(F)(F)F)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741404023 651948111 /nfs/dbraw/zinc/94/81/11/651948111.db2.gz IYQGTVPYDMIRHH-HNNXBMFYSA-N 1 0 377.432 2.176 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000573394628 651952554 /nfs/dbraw/zinc/95/25/54/651952554.db2.gz HOUPYVFVELJXTJ-UHFFFAOYSA-N 1 0 387.571 2.141 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000617504875 651955176 /nfs/dbraw/zinc/95/51/76/651955176.db2.gz NSOAESAFCTYRFM-LBPRGKRZSA-N 1 0 383.587 2.426 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000617506354 651955961 /nfs/dbraw/zinc/95/59/61/651955961.db2.gz KPWVHFUKMQROHO-XJKSGUPXSA-N 1 0 398.345 2.313 20 0 GEADRO CCN(C(=O)c1cnc2ccc(Br)cc2c1O)[C@H]1CC[N@H+](C)C1 ZINC000617554522 651957227 /nfs/dbraw/zinc/95/72/27/651957227.db2.gz DQEJBIYYPBYYRG-LBPRGKRZSA-N 1 0 378.270 2.457 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCC(F)(F)CC1 ZINC000653868519 651957895 /nfs/dbraw/zinc/95/78/95/651957895.db2.gz XVDBJZNUAVLASV-NSHDSACASA-N 1 0 375.441 2.076 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654413663 651960508 /nfs/dbraw/zinc/96/05/08/651960508.db2.gz BUJNSCRFPUZPQV-XBXGTLAGSA-N 1 0 397.317 2.335 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ncccc1Br ZINC000617703486 651963677 /nfs/dbraw/zinc/96/36/77/651963677.db2.gz JJQVMBGOHLTKBD-OAHLLOKOSA-N 1 0 390.281 2.341 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC[C@H](n2ccnn2)C1)c1ccc(Br)cc1 ZINC000573562477 651965226 /nfs/dbraw/zinc/96/52/26/651965226.db2.gz JSTMDSBQSTTYER-HOCLYGCPSA-N 1 0 378.274 2.078 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000654661958 651967468 /nfs/dbraw/zinc/96/74/68/651967468.db2.gz XNEXQOUZLZYXLC-OFQRWUPVSA-N 1 0 398.345 2.240 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617751336 651970293 /nfs/dbraw/zinc/97/02/93/651970293.db2.gz VXULCIIBRLXFSE-VHSXEESVSA-N 1 0 376.320 2.085 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000573684133 651973678 /nfs/dbraw/zinc/97/36/78/651973678.db2.gz FSGMGDHGSOJOSS-CHWSQXEVSA-N 1 0 384.318 2.428 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000573683843 651973707 /nfs/dbraw/zinc/97/37/07/651973707.db2.gz LHDZOEKFDZVGJB-HNNXBMFYSA-N 1 0 376.906 2.414 20 0 GEADRO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000573742166 651977076 /nfs/dbraw/zinc/97/70/76/651977076.db2.gz WIRZFYMSDYHFQJ-FUHWJXTLSA-N 1 0 385.346 2.253 20 0 GEADRO C[C@@H](NC(=O)CCCc1ccc(Br)s1)C(=O)NCC[NH+](C)C ZINC000655081914 651977062 /nfs/dbraw/zinc/97/70/62/651977062.db2.gz PUYKIHWXOGCAEM-LLVKDONJSA-N 1 0 390.347 2.016 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000742310817 651978542 /nfs/dbraw/zinc/97/85/42/651978542.db2.gz ANHKSEVWGYFSRI-SECBINFHSA-N 1 0 383.283 2.215 20 0 GEADRO C[N@H+](Cc1ccc2nc(NC(=O)C3(S(C)(=O)=O)CC3)sc2c1)C1CC1 ZINC000617866013 651979431 /nfs/dbraw/zinc/97/94/31/651979431.db2.gz ZPCMLPCVKJPDTL-UHFFFAOYSA-N 1 0 379.507 2.406 20 0 GEADRO CCN(C(=O)CN(C)C(=O)c1ccc(Br)o1)[C@H]1CC[N@H+](CC)C1 ZINC000617931432 651982186 /nfs/dbraw/zinc/98/21/86/651982186.db2.gz XBOVGDOEOVAJDC-LBPRGKRZSA-N 1 0 386.290 2.057 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000573845247 651982760 /nfs/dbraw/zinc/98/27/60/651982760.db2.gz UPALWMOXQPJRFT-HTQZYQBOSA-N 1 0 392.681 2.292 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000742341517 651984845 /nfs/dbraw/zinc/98/48/45/651984845.db2.gz PTQIGYUMDYYMDN-NSHDSACASA-N 1 0 376.935 2.402 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)C[C@H](C)O ZINC000742372725 651986410 /nfs/dbraw/zinc/98/64/10/651986410.db2.gz GOGHJFMHBUBXKU-WCQYABFASA-N 1 0 377.938 2.091 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655345705 651987463 /nfs/dbraw/zinc/98/74/63/651987463.db2.gz CAWZCZZLXXAEGU-HZPDHXFCSA-N 1 0 394.313 2.312 20 0 GEADRO C[C@](O)(C[NH2+]Cc1cccc(S(=O)(=O)N2CCCCC2)c1)C(F)(F)F ZINC000573913867 651988050 /nfs/dbraw/zinc/98/80/50/651988050.db2.gz KTRUMNOXMZEFEN-HNNXBMFYSA-N 1 0 380.432 2.264 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C[C@@H]1O ZINC000573980535 651992351 /nfs/dbraw/zinc/99/23/51/651992351.db2.gz RLCXROIEZRWPKQ-HOTGVXAUSA-N 1 0 379.913 2.063 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1(S(C)(=O)=O)CC1 ZINC000574034339 651996441 /nfs/dbraw/zinc/99/64/41/651996441.db2.gz WWBADMARPZMINN-ZENOOKHLSA-N 1 0 375.918 2.334 20 0 GEADRO O=C(NCCn1cc(Br)ccc1=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000574056261 651998424 /nfs/dbraw/zinc/99/84/24/651998424.db2.gz QOESGMUDUOHEAR-UHFFFAOYSA-N 1 0 377.242 2.036 20 0 GEADRO C[C@H](CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1ccc(Br)cc1 ZINC000618306829 652003904 /nfs/dbraw/zinc/00/39/04/652003904.db2.gz KLAFFHXGLBJLPB-CQSZACIVSA-N 1 0 398.345 2.421 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618307165 652003921 /nfs/dbraw/zinc/00/39/21/652003921.db2.gz YUNGITWVHXFTMH-AWEZNQCLSA-N 1 0 398.345 2.106 20 0 GEADRO O=S(=O)(CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655702155 652008198 /nfs/dbraw/zinc/00/81/98/652008198.db2.gz YQNXULCYLTXGAF-KRWDZBQOSA-N 1 0 386.945 2.347 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCN1CCOCC1 ZINC000655704402 652008323 /nfs/dbraw/zinc/00/83/23/652008323.db2.gz WSCVUIJZDSEQTJ-UHFFFAOYSA-N 1 0 379.302 2.365 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C3(S(C)(=O)=O)CCC3)C2)s1 ZINC000574213055 652008529 /nfs/dbraw/zinc/00/85/29/652008529.db2.gz XODQEODUWOWCFQ-HNNXBMFYSA-N 1 0 384.567 2.304 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCS(C)(=O)=O ZINC000655731331 652009005 /nfs/dbraw/zinc/00/90/05/652009005.db2.gz WRIPJOKAHHJAHI-UHFFFAOYSA-N 1 0 386.315 2.468 20 0 GEADRO O[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1ccccc1Br ZINC000655733682 652009060 /nfs/dbraw/zinc/00/90/60/652009060.db2.gz PPNQARLYBCWGOH-HZPDHXFCSA-N 1 0 399.329 2.032 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCN1CCC(O)CC1 ZINC000655779296 652010978 /nfs/dbraw/zinc/01/09/78/652010978.db2.gz HZJDXRSRHSBMTB-UHFFFAOYSA-N 1 0 393.329 2.490 20 0 GEADRO C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655801755 652011699 /nfs/dbraw/zinc/01/16/99/652011699.db2.gz VGPDVGFQAMEOFB-LJISPDSOSA-N 1 0 386.334 2.087 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000574265525 652012000 /nfs/dbraw/zinc/01/20/00/652012000.db2.gz KKOQMNOYEYHBTI-QWHCGFSZSA-N 1 0 397.317 2.422 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2cc(F)ccc2I)[C@H](C[NH3+])C1 ZINC000574269525 652012162 /nfs/dbraw/zinc/01/21/62/652012162.db2.gz AQXIULRQZTUGGU-WDEREUQCSA-N 1 0 392.212 2.009 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CCCO1 ZINC000574276001 652012944 /nfs/dbraw/zinc/01/29/44/652012944.db2.gz AOJUSJKCICTKNE-IRXDYDNUSA-N 1 0 396.329 2.162 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCN(c2cccc(Br)c2)CC1)C(F)(F)F ZINC000655930522 652013600 /nfs/dbraw/zinc/01/36/00/652013600.db2.gz QSFBWEOTSSVGHR-LBPRGKRZSA-N 1 0 395.223 2.170 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCCc2sccc21 ZINC000574297294 652014558 /nfs/dbraw/zinc/01/45/58/652014558.db2.gz HQUAZYHSACHLNP-TZMCWYRMSA-N 1 0 376.448 2.261 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000574299460 652014688 /nfs/dbraw/zinc/01/46/88/652014688.db2.gz RLOZFSCDLNQQQC-KFWWJZLASA-N 1 0 383.290 2.115 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1Cl)C(F)(F)F ZINC000655956791 652015169 /nfs/dbraw/zinc/01/51/69/652015169.db2.gz FHELSUWLZNZLSQ-SSDOTTSWSA-N 1 0 388.571 2.047 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000574309938 652015157 /nfs/dbraw/zinc/01/51/57/652015157.db2.gz MJXQJCPYYHTVFO-UHFFFAOYSA-N 1 0 385.427 2.006 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)COc1cccc(I)c1 ZINC000574311182 652015486 /nfs/dbraw/zinc/01/54/86/652015486.db2.gz APOKYXSYNKNPDX-RISCZKNCSA-N 1 0 388.249 2.304 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F ZINC000655958910 652015769 /nfs/dbraw/zinc/01/57/69/652015769.db2.gz MDSDLNRATOMFQQ-QMMMGPOBSA-N 1 0 377.672 2.303 20 0 GEADRO COCC1(C(=O)N2CCc3c(Br)ccc(F)c3C2)CC[NH2+]CC1 ZINC000574319494 652016064 /nfs/dbraw/zinc/01/60/64/652016064.db2.gz SPCGSLIZLDWNEV-UHFFFAOYSA-N 1 0 385.277 2.489 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(CN2c3cc(Br)ccc3C(=O)C2=O)C1 ZINC000743394445 652018511 /nfs/dbraw/zinc/01/85/11/652018511.db2.gz MIBUOYYFTYJSJY-ZDUSSCGKSA-N 1 0 380.286 2.352 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNc2ncc3scc(Br)c3n2)CC1 ZINC000574464575 652023144 /nfs/dbraw/zinc/02/31/44/652023144.db2.gz NBVVGKIMHNFMRF-LLVKDONJSA-N 1 0 384.347 2.892 20 0 GEADRO C[C@H](CO[C@H]1CCOC1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000574512589 652026537 /nfs/dbraw/zinc/02/65/37/652026537.db2.gz WHCLZHRBIQXAQV-OCCSQVGLSA-N 1 0 392.315 2.006 20 0 GEADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[NH2+]C[C@@H]3C(F)F)cs2)cc1 ZINC000574522920 652027489 /nfs/dbraw/zinc/02/74/89/652027489.db2.gz GZMSARPLSHNLNR-CQSZACIVSA-N 1 0 387.477 2.253 20 0 GEADRO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000574559237 652029950 /nfs/dbraw/zinc/02/99/50/652029950.db2.gz GXWHLHCOPAVWCR-LLVKDONJSA-N 1 0 391.331 2.391 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000574642847 652033558 /nfs/dbraw/zinc/03/35/58/652033558.db2.gz FOCYMAVLZUQVKB-GJZGRUSLSA-N 1 0 386.334 2.090 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)COc1cccc(I)c1 ZINC000618858114 652035127 /nfs/dbraw/zinc/03/51/27/652035127.db2.gz KJVBJNRPYFNGQH-UHFFFAOYSA-N 1 0 376.238 2.080 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)COc1cccc(Br)c1 ZINC000574691575 652036867 /nfs/dbraw/zinc/03/68/67/652036867.db2.gz HVGNICWSBKWRHW-JCGIZDLHSA-N 1 0 378.266 2.437 20 0 GEADRO O[C@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)COc1cccc(Br)c1 ZINC000574691574 652037010 /nfs/dbraw/zinc/03/70/10/652037010.db2.gz HVGNICWSBKWRHW-FHLIZLRMSA-N 1 0 378.266 2.437 20 0 GEADRO CC1CC[NH+](CCCNC(=O)N(C)CCn2cc(Br)cn2)CC1 ZINC000574733554 652039250 /nfs/dbraw/zinc/03/92/50/652039250.db2.gz ZPBWBQSBBVRTCP-UHFFFAOYSA-N 1 0 386.338 2.409 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NCC3([NH3+])CCC3)CC2=O)ccc1Br ZINC000574754360 652041336 /nfs/dbraw/zinc/04/13/36/652041336.db2.gz YKQWYZSLBWSVRB-LBPRGKRZSA-N 1 0 380.286 2.108 20 0 GEADRO O=C(C(=O)N1CCc2cc(Cl)cc(Cl)c2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574869422 652048427 /nfs/dbraw/zinc/04/84/27/652048427.db2.gz BILGPBXOLZCSEU-SFHVURJKSA-N 1 0 382.291 2.090 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Cl ZINC000574869768 652048577 /nfs/dbraw/zinc/04/85/77/652048577.db2.gz LMRSPJOUYLEEOH-GFCCVEGCSA-N 1 0 385.917 2.451 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000574916072 652051892 /nfs/dbraw/zinc/05/18/92/652051892.db2.gz XMKCIWRCARCBJE-GHMZBOCLSA-N 1 0 388.331 2.277 20 0 GEADRO CSC1(CNS(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CC[NH+](C)CC1 ZINC000574945899 652053751 /nfs/dbraw/zinc/05/37/51/652053751.db2.gz HBCCRKKZGYPRKS-JKSUJKDBSA-N 1 0 375.604 2.160 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc(Br)cc1S(N)(=O)=O ZINC000574949496 652054173 /nfs/dbraw/zinc/05/41/73/652054173.db2.gz DUNBTBBMRKFUPT-SNVBAGLBSA-N 1 0 379.324 2.024 20 0 GEADRO COC[C@]1(CNC(=O)N2CCc3c(Br)cccc3C2)CCC[NH2+]1 ZINC000574976031 652055775 /nfs/dbraw/zinc/05/57/75/652055775.db2.gz ZKQGWPHSBRYNSS-QGZVFWFLSA-N 1 0 382.302 2.285 20 0 GEADRO OC[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000574989178 652056400 /nfs/dbraw/zinc/05/64/00/652056400.db2.gz HYSCGRLYXQITDN-DFBGVHRSSA-N 1 0 376.266 2.469 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)C2)C1 ZINC000575009064 652058566 /nfs/dbraw/zinc/05/85/66/652058566.db2.gz UDIZCFZOWBWIAP-KRWDZBQOSA-N 1 0 398.276 2.471 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1I ZINC000575045434 652060276 /nfs/dbraw/zinc/06/02/76/652060276.db2.gz DCKRRGIXSRKFAH-MNOVXSKESA-N 1 0 394.278 2.018 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000575076253 652060653 /nfs/dbraw/zinc/06/06/53/652060653.db2.gz KODFAGYQAPNNCR-UHFFFAOYSA-N 1 0 398.345 2.301 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1I ZINC000575045436 652060735 /nfs/dbraw/zinc/06/07/35/652060735.db2.gz DCKRRGIXSRKFAH-WDEREUQCSA-N 1 0 394.278 2.018 20 0 GEADRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000575089963 652061279 /nfs/dbraw/zinc/06/12/79/652061279.db2.gz GMIKNHINGQXXIN-QGZVFWFLSA-N 1 0 380.286 2.442 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000656890347 652062895 /nfs/dbraw/zinc/06/28/95/652062895.db2.gz GZWMDMPDLPRKJA-GJZGRUSLSA-N 1 0 387.512 2.253 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000575109315 652063089 /nfs/dbraw/zinc/06/30/89/652063089.db2.gz AJXLFXBWIGRWDM-SCLBCKFNSA-N 1 0 394.313 2.228 20 0 GEADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000575115520 652063610 /nfs/dbraw/zinc/06/36/10/652063610.db2.gz BPAFDZCWYSPQSE-MLGOLLRUSA-N 1 0 382.291 2.089 20 0 GEADRO O=C(CC[NH2+][C@H](CO)CN1CCCCC1)Nc1cccc(Br)c1 ZINC000575180840 652067014 /nfs/dbraw/zinc/06/70/14/652067014.db2.gz FFWQSEJSBCJMDU-INIZCTEOSA-N 1 0 384.318 2.214 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[N@@H+]1C ZINC000575201076 652068690 /nfs/dbraw/zinc/06/86/90/652068690.db2.gz UDMWAVFBFJEAEE-PWSUYJOCSA-N 1 0 395.301 2.259 20 0 GEADRO C[C@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)[NH+]1CC(C)C1 ZINC000575428131 652071441 /nfs/dbraw/zinc/07/14/41/652071441.db2.gz KYQZJBZPMMIAOH-CQSZACIVSA-N 1 0 394.313 2.074 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000575651498 652073115 /nfs/dbraw/zinc/07/31/15/652073115.db2.gz KHSIGNCXGRCOFL-LLVKDONJSA-N 1 0 376.320 2.109 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)s2)cs1 ZINC000575783323 652077242 /nfs/dbraw/zinc/07/72/42/652077242.db2.gz WXUQYTWTZADTRE-JQWIXIFHSA-N 1 0 378.523 2.053 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000575796262 652077754 /nfs/dbraw/zinc/07/77/54/652077754.db2.gz YZOSPXAKXNCDBF-UHFFFAOYSA-N 1 0 391.331 2.218 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000619895927 652083118 /nfs/dbraw/zinc/08/31/18/652083118.db2.gz XMYZHSQJHFPDHG-LLVKDONJSA-N 1 0 388.331 2.183 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000619893680 652083138 /nfs/dbraw/zinc/08/31/38/652083138.db2.gz TVYXMFLLUKNBCL-OAHLLOKOSA-N 1 0 382.302 2.170 20 0 GEADRO Cn1ccnc1Sc1ncc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000575865837 652083287 /nfs/dbraw/zinc/08/32/87/652083287.db2.gz VMIPXRNGGPDBFC-VHRBIJSZSA-N 1 0 377.901 2.429 20 0 GEADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000575928498 652085632 /nfs/dbraw/zinc/08/56/32/652085632.db2.gz OBSKUFOHSUUAAI-LBPRGKRZSA-N 1 0 384.299 2.121 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000657018841 652088316 /nfs/dbraw/zinc/08/83/16/652088316.db2.gz PDVKRFVTMVDJSF-CYBMUJFWSA-N 1 0 379.295 2.444 20 0 GEADRO CO[C@H](C[NH3+])C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000575981079 652088740 /nfs/dbraw/zinc/08/87/40/652088740.db2.gz ZVJUFILVODJIOO-HZPDHXFCSA-N 1 0 378.270 2.218 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)s2)cs1 ZINC000576007648 652090404 /nfs/dbraw/zinc/09/04/04/652090404.db2.gz YKRGCQWNRJCHEA-NSHDSACASA-N 1 0 380.539 2.253 20 0 GEADRO OC[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1O ZINC000576020013 652091254 /nfs/dbraw/zinc/09/12/54/652091254.db2.gz RECKWJYDKUONTD-XJKSGUPXSA-N 1 0 378.270 2.081 20 0 GEADRO OC[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1O ZINC000576020011 652091480 /nfs/dbraw/zinc/09/14/80/652091480.db2.gz RECKWJYDKUONTD-CZUORRHYSA-N 1 0 378.270 2.081 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C)n2)C[C@H]1C ZINC000576068985 652094497 /nfs/dbraw/zinc/09/44/97/652094497.db2.gz DENCBAMVTATIGT-YPMHNXCESA-N 1 0 397.317 2.422 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000620625647 652109970 /nfs/dbraw/zinc/10/99/70/652109970.db2.gz BOZDGTTXCXXAQX-ZDUSSCGKSA-N 1 0 389.949 2.243 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1(S(C)(=O)=O)CC1 ZINC000576393151 652113131 /nfs/dbraw/zinc/11/31/31/652113131.db2.gz UKKWOZYUDMOUJX-MNOVXSKESA-N 1 0 382.309 2.288 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C)C[NH+](C)C)ccc1Cl ZINC000576420446 652115820 /nfs/dbraw/zinc/11/58/20/652115820.db2.gz PODLMMRCNGXNSQ-LBPRGKRZSA-N 1 0 390.937 2.442 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1ncn(CC(F)(F)F)c1=S ZINC000746648040 652119457 /nfs/dbraw/zinc/11/94/57/652119457.db2.gz JUVFVRLBFHSWIP-UPJWGTAASA-N 1 0 379.452 2.117 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000746639734 652119772 /nfs/dbraw/zinc/11/97/72/652119772.db2.gz NXPATKOKNHYLAW-UHFFFAOYSA-N 1 0 380.290 2.492 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N[C@H](CCO)c2ccccc2Br)n1 ZINC000576478147 652121088 /nfs/dbraw/zinc/12/10/88/652121088.db2.gz QKUBTUALUMPGLE-OAHLLOKOSA-N 1 0 395.301 2.061 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)ccc1Br ZINC000746785962 652125136 /nfs/dbraw/zinc/12/51/36/652125136.db2.gz CRLUDBRVYDRHMZ-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO CC(C)[C@H]1CN(C(=O)c2ccc(Br)cc2-n2cncn2)CC[NH2+]1 ZINC000621155632 652133263 /nfs/dbraw/zinc/13/32/63/652133263.db2.gz JDEDKAHBGJHYBJ-CQSZACIVSA-N 1 0 378.274 2.100 20 0 GEADRO Cn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(C(F)(F)F)n1 ZINC000657161326 652140155 /nfs/dbraw/zinc/14/01/55/652140155.db2.gz NXSRQPHCJSNHBO-NSHDSACASA-N 1 0 380.436 2.124 20 0 GEADRO COc1cc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Br)cn1 ZINC000621290220 652142899 /nfs/dbraw/zinc/14/28/99/652142899.db2.gz BZFMJVMEUMZMNK-AWEZNQCLSA-N 1 0 384.318 2.397 20 0 GEADRO COC[C@@]1(CNC(=O)N(C)Cc2ccc(Br)s2)CCC[NH2+]1 ZINC000576849255 652148271 /nfs/dbraw/zinc/14/82/71/652148271.db2.gz RILRKHCERFTKKD-AWEZNQCLSA-N 1 0 376.320 2.421 20 0 GEADRO CCOc1cncc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000621351989 652150097 /nfs/dbraw/zinc/15/00/97/652150097.db2.gz ISFARLHZFQJJRP-UHFFFAOYSA-N 1 0 387.864 2.341 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000576878948 652150735 /nfs/dbraw/zinc/15/07/35/652150735.db2.gz ANGHMQPZWOLJSB-UHFFFAOYSA-N 1 0 384.395 2.234 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)c(Cl)cc1Cl ZINC000747279312 652154969 /nfs/dbraw/zinc/15/49/69/652154969.db2.gz IDIPXNFAHOVHHW-SNVBAGLBSA-N 1 0 395.308 2.400 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCNC1=O ZINC000657284501 652160452 /nfs/dbraw/zinc/16/04/52/652160452.db2.gz QZJNFEQCOROMIM-CYBMUJFWSA-N 1 0 385.302 2.480 20 0 GEADRO Cn1ncc(C(F)(F)F)c1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000657332124 652160812 /nfs/dbraw/zinc/16/08/12/652160812.db2.gz BXVUPVACLITOMZ-UHFFFAOYSA-N 1 0 396.822 2.160 20 0 GEADRO Cn1ncc(C(F)(F)F)c1C[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000657354035 652162252 /nfs/dbraw/zinc/16/22/52/652162252.db2.gz YEVCPLLEPCHKNM-UHFFFAOYSA-N 1 0 377.388 2.011 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)CCO2 ZINC000657428384 652163823 /nfs/dbraw/zinc/16/38/23/652163823.db2.gz JCAKGUXRRGCNEL-WBMJQRKESA-N 1 0 379.400 2.253 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)CCO2 ZINC000657428381 652163951 /nfs/dbraw/zinc/16/39/51/652163951.db2.gz JCAKGUXRRGCNEL-BLLLJJGKSA-N 1 0 379.400 2.253 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)CCO2 ZINC000657428382 652164102 /nfs/dbraw/zinc/16/41/02/652164102.db2.gz JCAKGUXRRGCNEL-LRDDRELGSA-N 1 0 379.400 2.253 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2cnc3n2CCC3)CCN1c1cccc(Br)c1 ZINC000657451368 652164826 /nfs/dbraw/zinc/16/48/26/652164826.db2.gz QTTQOLHIISPOLC-HNNXBMFYSA-N 1 0 375.270 2.487 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621623984 652165797 /nfs/dbraw/zinc/16/57/97/652165797.db2.gz RNZYJNYBJPJKIV-UHFFFAOYSA-N 1 0 385.258 2.148 20 0 GEADRO Cn1ncc(C(F)(F)F)c1C[NH2+]CCn1cc(Br)ccc1=O ZINC000657478002 652166821 /nfs/dbraw/zinc/16/68/21/652166821.db2.gz WHCDQLYTASKMCS-UHFFFAOYSA-N 1 0 379.180 2.153 20 0 GEADRO O=C(CCOC1C[NH2+]C1)NCc1ccc(Br)cc1C(F)(F)F ZINC000577215685 652170308 /nfs/dbraw/zinc/17/03/08/652170308.db2.gz IAOOJBOLVWWTGH-UHFFFAOYSA-N 1 0 381.192 2.463 20 0 GEADRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000657560645 652172693 /nfs/dbraw/zinc/17/26/93/652172693.db2.gz BQOPHQGCYQSOKI-CYBMUJFWSA-N 1 0 391.331 2.391 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622013749 652174514 /nfs/dbraw/zinc/17/45/14/652174514.db2.gz UZNWYLVVGOXQFP-IAQYHMDHSA-N 1 0 389.315 2.350 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622014158 652175164 /nfs/dbraw/zinc/17/51/64/652175164.db2.gz AHNAKTJWBAVPFI-YGRLFVJLSA-N 1 0 377.279 2.399 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622014869 652175196 /nfs/dbraw/zinc/17/51/96/652175196.db2.gz LVDQCJJHPUEGHO-XPTSAGLGSA-N 1 0 393.278 2.099 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622014539 652175241 /nfs/dbraw/zinc/17/52/41/652175241.db2.gz HEKZSKKWOQLLIU-LKFCYVNXSA-N 1 0 393.278 2.099 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000657579592 652175337 /nfs/dbraw/zinc/17/53/37/652175337.db2.gz FDPPSOSQNOIQLT-NSHDSACASA-N 1 0 391.269 2.146 20 0 GEADRO CC(C)[NH+]1CCC(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000747724497 652176756 /nfs/dbraw/zinc/17/67/56/652176756.db2.gz KCQLRDTYXSPIGI-UHFFFAOYSA-N 1 0 384.571 2.096 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1Cl ZINC000577311385 652178585 /nfs/dbraw/zinc/17/85/85/652178585.db2.gz KBIOLTLTSBTHSS-QMMMGPOBSA-N 1 0 385.711 2.340 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1cc(F)ccc1Br ZINC000577324674 652179218 /nfs/dbraw/zinc/17/92/18/652179218.db2.gz RGWLVDHAKKBEPW-AWEZNQCLSA-N 1 0 375.282 2.340 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C2=O)ccc1Br ZINC000577372231 652182557 /nfs/dbraw/zinc/18/25/57/652182557.db2.gz WTHVMXVHOOBCEH-GJZGRUSLSA-N 1 0 382.302 2.352 20 0 GEADRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000577409094 652186442 /nfs/dbraw/zinc/18/64/42/652186442.db2.gz PJDPFBJLSKJEFN-XDTLVQLUSA-N 1 0 388.249 2.367 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000577409095 652186542 /nfs/dbraw/zinc/18/65/42/652186542.db2.gz PJDPFBJLSKJEFN-ZWKOPEQDSA-N 1 0 388.249 2.367 20 0 GEADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C12CCC(C(F)(F)F)(CC1)CC2 ZINC000577431705 652187237 /nfs/dbraw/zinc/18/72/37/652187237.db2.gz ADNIZFNVARRFEN-UHFFFAOYSA-N 1 0 380.436 2.283 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000657659781 652187450 /nfs/dbraw/zinc/18/74/50/652187450.db2.gz MVJQRAHHFOAZEA-INIZCTEOSA-N 1 0 396.329 2.397 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000748241701 652196274 /nfs/dbraw/zinc/19/62/74/652196274.db2.gz FBCWZKWEFGYHSH-UNEWFSDZSA-N 1 0 389.949 2.235 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@]12CCC(=O)N1CCS2 ZINC000622576350 652196620 /nfs/dbraw/zinc/19/66/20/652196620.db2.gz BPUREWZILPQQSU-KSSFIOAISA-N 1 0 379.551 2.142 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657729692 652198392 /nfs/dbraw/zinc/19/83/92/652198392.db2.gz QPLUNMBJTOFNIP-NOZJJQNGSA-N 1 0 384.249 2.126 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000577588791 652199510 /nfs/dbraw/zinc/19/95/10/652199510.db2.gz XJSBKZCNCIMLJK-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000577601791 652200056 /nfs/dbraw/zinc/20/00/56/652200056.db2.gz SJXGOZMMMMPREM-AWEZNQCLSA-N 1 0 375.485 2.070 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)CCSC1 ZINC000748435357 652202847 /nfs/dbraw/zinc/20/28/47/652202847.db2.gz REBORKNPACQRSW-QGZVFWFLSA-N 1 0 380.514 2.467 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000657811338 652208521 /nfs/dbraw/zinc/20/85/21/652208521.db2.gz VBEXZODJJPRAFL-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@@H+]1C ZINC000657856151 652211428 /nfs/dbraw/zinc/21/14/28/652211428.db2.gz LQNUFDRCDQACTP-MNOVXSKESA-N 1 0 386.265 2.468 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000657868166 652211998 /nfs/dbraw/zinc/21/19/98/652211998.db2.gz XLKLZMOWYOXDOY-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO CSC1(CNS(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)CC[NH+](C)CC1 ZINC000577747705 652213010 /nfs/dbraw/zinc/21/30/10/652213010.db2.gz VBWAHPAHXDZFDW-UHFFFAOYSA-N 1 0 394.465 2.114 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748710275 652213474 /nfs/dbraw/zinc/21/34/74/652213474.db2.gz AYCQCXWHSWAQFY-CYBMUJFWSA-N 1 0 387.933 2.195 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000577756932 652213597 /nfs/dbraw/zinc/21/35/97/652213597.db2.gz DJEMCGCMSDQPAX-LLVKDONJSA-N 1 0 375.288 2.282 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748722463 652214286 /nfs/dbraw/zinc/21/42/86/652214286.db2.gz UYHHMVRPTKWGQZ-UHFFFAOYSA-N 1 0 387.933 2.196 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC000577770607 652214386 /nfs/dbraw/zinc/21/43/86/652214386.db2.gz RFOCHSKQABHQOC-CYBMUJFWSA-N 1 0 395.301 2.412 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000623028735 652217635 /nfs/dbraw/zinc/21/76/35/652217635.db2.gz VZEJDRFKGFMASY-KGLIPLIRSA-N 1 0 397.269 2.113 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000623060870 652221769 /nfs/dbraw/zinc/22/17/69/652221769.db2.gz QBYCKVBXEZTVSV-WCQYABFASA-N 1 0 378.274 2.096 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000623064870 652221921 /nfs/dbraw/zinc/22/19/21/652221921.db2.gz IUXYTURGKDVATM-GXTWGEPZSA-N 1 0 392.301 2.486 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000577849809 652222071 /nfs/dbraw/zinc/22/20/71/652222071.db2.gz GWIFMRUVOYKWCP-LLVKDONJSA-N 1 0 377.869 2.248 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000577852085 652222693 /nfs/dbraw/zinc/22/26/93/652222693.db2.gz VYIPVJGERHTUOJ-QWHCGFSZSA-N 1 0 381.523 2.082 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@@H+](C2CC2)C1 ZINC000657978016 652224016 /nfs/dbraw/zinc/22/40/16/652224016.db2.gz JOXCJVBOLNFZEO-NSHDSACASA-N 1 0 398.276 2.469 20 0 GEADRO COC[C@@H](CC1CCOCC1)[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000657988772 652226379 /nfs/dbraw/zinc/22/63/79/652226379.db2.gz FWXZZVVIZTZGRP-QGZVFWFLSA-N 1 0 376.563 2.000 20 0 GEADRO CC[C@@H](C)N1CCN(C(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657994887 652227720 /nfs/dbraw/zinc/22/77/20/652227720.db2.gz HUZALXWUIHNCAT-LLVKDONJSA-N 1 0 386.265 2.469 20 0 GEADRO COC[C@@H](CC1CCOCC1)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000657997932 652228166 /nfs/dbraw/zinc/22/81/66/652228166.db2.gz HXBNEFYBDGTGGM-CVEARBPZSA-N 1 0 385.302 2.397 20 0 GEADRO CSC1(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CC1 ZINC000577916263 652228617 /nfs/dbraw/zinc/22/86/17/652228617.db2.gz HYZALZPAALCWHF-UHFFFAOYSA-N 1 0 383.945 2.242 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000658007530 652228945 /nfs/dbraw/zinc/22/89/45/652228945.db2.gz VQARQTMTCLWMOZ-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000658020630 652232154 /nfs/dbraw/zinc/23/21/54/652232154.db2.gz AJXGSXGNBSCLBU-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO CN1CCN(c2ccc(NC(=S)NC3CC[NH+](C)CC3)cc2Cl)CC1 ZINC000749102821 652235050 /nfs/dbraw/zinc/23/50/50/652235050.db2.gz SPMRZTBYEHTDGO-UHFFFAOYSA-N 1 0 381.977 2.472 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658149397 652240004 /nfs/dbraw/zinc/24/00/04/652240004.db2.gz SWXBPSADVVOLCC-MLGOLLRUSA-N 1 0 376.266 2.277 20 0 GEADRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658169769 652240693 /nfs/dbraw/zinc/24/06/93/652240693.db2.gz KHOLRWGLPOQGQW-PELKAZGASA-N 1 0 399.257 2.171 20 0 GEADRO COC[C@]1(CNC(=O)NCCOc2cccc(Cl)c2Cl)CCC[NH2+]1 ZINC000578121779 652245212 /nfs/dbraw/zinc/24/52/12/652245212.db2.gz NXNJZEAFYQGTLV-MRXNPFEDSA-N 1 0 376.284 2.440 20 0 GEADRO 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388.917 2.256 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc(Br)c1O ZINC000623813577 652263344 /nfs/dbraw/zinc/26/33/44/652263344.db2.gz UQVJNERZERIHAP-RISCZKNCSA-N 1 0 384.230 2.475 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)NCC3([NH3+])CCCC3)cc21 ZINC000658390238 652263342 /nfs/dbraw/zinc/26/33/42/652263342.db2.gz GVWAFWJWEYKXTN-UHFFFAOYSA-N 1 0 386.315 2.491 20 0 GEADRO O[C@H]1CCN(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000623837450 652264099 /nfs/dbraw/zinc/26/40/99/652264099.db2.gz FQRVYKGPKONSNM-KRWDZBQOSA-N 1 0 382.346 2.070 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCC2([NH3+])CCCC2)c1 ZINC000658390803 652264322 /nfs/dbraw/zinc/26/43/22/652264322.db2.gz WFEIUXQCGISGBZ-UHFFFAOYSA-N 1 0 376.320 2.065 20 0 GEADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000658397053 652265029 /nfs/dbraw/zinc/26/50/29/652265029.db2.gz AVTXJWRFAWGYJA-RHSMWYFYSA-N 1 0 388.555 2.008 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000658399366 652265348 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O=C(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)NCC(=O)Nc1ccccc1Br ZINC000578440550 652273032 /nfs/dbraw/zinc/27/30/32/652273032.db2.gz WNIPWBPKTRRIEZ-DYEKYZERSA-N 1 0 380.286 2.282 20 0 GEADRO Cc1c([C@@H](C)[NH2+]C[C@H]2COCCN2C)nnn1-c1cccc(Br)c1 ZINC000624172854 652274777 /nfs/dbraw/zinc/27/47/77/652274777.db2.gz VOTMBOXGIRSYRE-WBMJQRKESA-N 1 0 394.317 2.319 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Br)ccc1F)[C@H]1CC[N@H+](CC)C1 ZINC000658466397 652276830 /nfs/dbraw/zinc/27/68/30/652276830.db2.gz GQTGGDOAEIRXMK-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(F)ccc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000658468017 652276987 /nfs/dbraw/zinc/27/69/87/652276987.db2.gz LGWFIIGIKGJWTH-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000624311933 652281228 /nfs/dbraw/zinc/28/12/28/652281228.db2.gz FCCJLXIYQSIFOQ-JBLDHEPKSA-N 1 0 377.304 2.172 20 0 GEADRO O=C(NC1(c2cccc(Br)c2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000578623861 652283910 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COc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)c1C ZINC000624391501 652288244 /nfs/dbraw/zinc/28/82/44/652288244.db2.gz YWXFOQYFEPRSJX-CHWSQXEVSA-N 1 0 380.432 2.460 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC[C@@H]1C(F)(F)F ZINC000624391516 652288338 /nfs/dbraw/zinc/28/83/38/652288338.db2.gz ZFYRXWJVXWCTHJ-OCCSQVGLSA-N 1 0 378.416 2.159 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1Br ZINC000578739751 652289592 /nfs/dbraw/zinc/28/95/92/652289592.db2.gz QVKABJVOCFPNSF-UHFFFAOYSA-N 1 0 395.301 2.083 20 0 GEADRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1=O ZINC000578758909 652290989 /nfs/dbraw/zinc/29/09/89/652290989.db2.gz FAVKHIGSRKCDAR-DFBGVHRSSA-N 1 0 380.286 2.377 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000624411322 652291649 /nfs/dbraw/zinc/29/16/49/652291649.db2.gz DUUXWVYJSRVXSY-GASCZTMLSA-N 1 0 378.416 2.346 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000624406505 652291729 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CC[NH2+]CCCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000578889167 652302008 /nfs/dbraw/zinc/30/20/08/652302008.db2.gz DNMNWXQJDMRGPR-OAQYLSRUSA-N 1 0 375.332 2.453 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)c2cccn3c(I)cnc23)C1 ZINC000750624664 652302322 /nfs/dbraw/zinc/30/23/22/652302322.db2.gz BFIVLBBGNJMQGY-NSHDSACASA-N 1 0 398.248 2.011 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccnc1OCC(F)F ZINC000624804577 652304376 /nfs/dbraw/zinc/30/43/76/652304376.db2.gz IHUCHRVFJAWKDX-ZDUSSCGKSA-N 1 0 377.457 2.268 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000658707031 652304589 /nfs/dbraw/zinc/30/45/89/652304589.db2.gz YOYKJGFUFKMTNO-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cccnc1OCC(F)F)C[NH+]1CCCCC1 ZINC000624871790 652307852 /nfs/dbraw/zinc/30/78/52/652307852.db2.gz CBJBZBFAIYMYRN-CYBMUJFWSA-N 1 0 377.457 2.126 20 0 GEADRO CC[C@H](CSC)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000579028745 652312512 /nfs/dbraw/zinc/31/25/12/652312512.db2.gz 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C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2C)C1 ZINC000659077198 652340577 /nfs/dbraw/zinc/34/05/77/652340577.db2.gz FPZQYMGBUGEUPW-SNVBAGLBSA-N 1 0 388.693 2.417 20 0 GEADRO O=C1C[C@H]([NH2+]C2CCCC2)C(=O)N1c1ccc(I)cc1 ZINC000579488742 652341744 /nfs/dbraw/zinc/34/17/44/652341744.db2.gz AACLZWIPBTVWCG-ZDUSSCGKSA-N 1 0 384.217 2.455 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC[C@@H]1[NH3+] ZINC000659086649 652342128 /nfs/dbraw/zinc/34/21/28/652342128.db2.gz ZQXMAFUYHDFEBS-WPRPVWTQSA-N 1 0 390.228 2.252 20 0 GEADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659092083 652342950 /nfs/dbraw/zinc/34/29/50/652342950.db2.gz SRKCFYTUTZYIIQ-CYBMUJFWSA-N 1 0 395.301 2.021 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000659093538 652343133 /nfs/dbraw/zinc/34/31/33/652343133.db2.gz WOEQXAHIVLZCPX-UHFFFAOYSA-N 1 0 380.645 2.376 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659098115 652343513 /nfs/dbraw/zinc/34/35/13/652343513.db2.gz 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ZINC000579656276 652348794 /nfs/dbraw/zinc/34/87/94/652348794.db2.gz GETLIBGYRABXPH-UHFFFAOYSA-N 1 0 389.949 2.199 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2csc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000625529335 652352593 /nfs/dbraw/zinc/35/25/93/652352593.db2.gz VMAGAUMLIHCKDX-ZYHUDNBSSA-N 1 0 377.432 2.324 20 0 GEADRO COCCN(C)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625535845 652352981 /nfs/dbraw/zinc/35/29/81/652352981.db2.gz WHVYMUIBLGDFCW-AWEZNQCLSA-N 1 0 384.329 2.009 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)s1 ZINC000659315256 652353391 /nfs/dbraw/zinc/35/33/91/652353391.db2.gz YTGDMNQRCMVCKF-CQSZACIVSA-N 1 0 378.519 2.460 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000659311072 652353634 /nfs/dbraw/zinc/35/36/34/652353634.db2.gz HUUMBKBUOWMMTI-IJLUTSLNSA-N 1 0 375.357 2.307 20 0 GEADRO COc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1Br ZINC000625543783 652353889 /nfs/dbraw/zinc/35/38/89/652353889.db2.gz OOQWLUSNDZGSKN-MRXNPFEDSA-N 1 0 398.345 2.460 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)c2cn(CC[NH3+])nn2)ccc1Br ZINC000659320117 652353995 /nfs/dbraw/zinc/35/39/95/652353995.db2.gz ZFBSSZPIKBGXEA-HNNXBMFYSA-N 1 0 378.274 2.285 20 0 GEADRO C[C@@H]([NH2+]CC1=CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000579798962 652354971 /nfs/dbraw/zinc/35/49/71/652354971.db2.gz PNKCFYNYAOQIBU-SNVBAGLBSA-N 1 0 375.288 2.094 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC[C@H]1F ZINC000659389445 652356474 /nfs/dbraw/zinc/35/64/74/652356474.db2.gz UQDNPPKLBWZRIO-OAGGEKHMSA-N 1 0 390.286 2.264 20 0 GEADRO Brc1cc2c(cc1CN1CCN([C@H]3CC[NH2+]C3)CC1)OCCCO2 ZINC000579833415 652356781 /nfs/dbraw/zinc/35/67/81/652356781.db2.gz AFNKLRMDPYJQTQ-HNNXBMFYSA-N 1 0 396.329 2.090 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCN(C)C[C@@H]1C[NH3+] ZINC000579837386 652356849 /nfs/dbraw/zinc/35/68/49/652356849.db2.gz ADNXLPCDWUEIRE-KRWDZBQOSA-N 1 0 378.318 2.018 20 0 GEADRO Cc1cccc(CC(=O)NCCCN2CCC[N@@H+](C)CC2)c1Br ZINC000625571912 652356996 /nfs/dbraw/zinc/35/69/96/652356996.db2.gz RQTAKKLDSBWXKN-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659426712 652357715 /nfs/dbraw/zinc/35/77/15/652357715.db2.gz BCKNECXEPNAUEV-CYBMUJFWSA-N 1 0 385.306 2.369 20 0 GEADRO [NH3+]C1(CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)CCCC1 ZINC000659441179 652357764 /nfs/dbraw/zinc/35/77/64/652357764.db2.gz CQGFOURHBCGCIC-UHFFFAOYSA-N 1 0 383.290 2.348 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)n1 ZINC000659430882 652357787 /nfs/dbraw/zinc/35/77/87/652357787.db2.gz ZDPXOEBZLNJVBZ-GFCCVEGCSA-N 1 0 379.873 2.331 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000579850095 652358209 /nfs/dbraw/zinc/35/82/09/652358209.db2.gz MVBPSQXNNSMGDV-RYUDHWBXSA-N 1 0 375.252 2.468 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000659480562 652359113 /nfs/dbraw/zinc/35/91/13/652359113.db2.gz AAKJYUBQYJPOME-IUODEOHRSA-N 1 0 397.317 2.160 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000659484786 652359117 /nfs/dbraw/zinc/35/91/17/652359117.db2.gz SMIRAPAQQITJRA-AWEZNQCLSA-N 1 0 385.555 2.073 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[C@H]1F ZINC000659485949 652359595 /nfs/dbraw/zinc/35/95/95/652359595.db2.gz GBMMIFLRTJFOSR-NWANDNLSSA-N 1 0 385.281 2.109 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000659499268 652359901 /nfs/dbraw/zinc/35/99/01/652359901.db2.gz HPKCAHMJKVZWSJ-CYBMUJFWSA-N 1 0 384.322 2.104 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000659538677 652360226 /nfs/dbraw/zinc/36/02/26/652360226.db2.gz AXGYNRHDOAKYFZ-DZGCQCFKSA-N 1 0 381.318 2.421 20 0 GEADRO COC[C@]1(CNC(=O)NCc2sc(C)cc2Br)CCC[NH2+]1 ZINC000659543139 652360427 /nfs/dbraw/zinc/36/04/27/652360427.db2.gz SLFFQMBKCFTRNE-CQSZACIVSA-N 1 0 376.320 2.387 20 0 GEADRO [NH3+]C1(CNC(=O)N(CCO)Cc2cc(Br)ccc2F)CCCC1 ZINC000659570658 652360632 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Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C2 ZINC000659716533 652364220 /nfs/dbraw/zinc/36/42/20/652364220.db2.gz AQFYOUIERUJWPK-WFASDCNBSA-N 1 0 394.313 2.233 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000659739122 652364488 /nfs/dbraw/zinc/36/44/88/652364488.db2.gz OCXHHCVBYJLSRH-UHFFFAOYSA-N 1 0 377.329 2.106 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659741339 652364560 /nfs/dbraw/zinc/36/45/60/652364560.db2.gz KRWDWQDMOMTBNK-UHFFFAOYSA-N 1 0 394.313 2.054 20 0 GEADRO CN1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)[C@H](C[NH3+])C1 ZINC000580053762 652365207 /nfs/dbraw/zinc/36/52/07/652365207.db2.gz OLGRDGXFMOPABD-LLVKDONJSA-N 1 0 397.253 2.379 20 0 GEADRO C[C@@H]1C[N@@H+](CCN2CCN(c3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000659825617 652367052 /nfs/dbraw/zinc/36/70/52/652367052.db2.gz CPGLBSSDXBDDHL-GASCZTMLSA-N 1 0 383.334 2.075 20 0 GEADRO O=C1CNC(=O)N1CC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625704304 652368414 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CCCn1ncnc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796064 652371565 /nfs/dbraw/zinc/37/15/65/652371565.db2.gz DQNHNHRWFHYSON-KRWDZBQOSA-N 1 0 379.302 2.460 20 0 GEADRO CC(C)(C)n1nnnc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796224 652371639 /nfs/dbraw/zinc/37/16/39/652371639.db2.gz INKFSYOXVMZDII-KRWDZBQOSA-N 1 0 394.317 2.200 20 0 GEADRO Cn1nc(C2CC2)nc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797625 652371756 /nfs/dbraw/zinc/37/17/56/652371756.db2.gz WPIGYVNOOMZJOR-GOSISDBHSA-N 1 0 391.313 2.465 20 0 GEADRO COc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nn1 ZINC000625797825 652372297 /nfs/dbraw/zinc/37/22/97/652372297.db2.gz ZZNVYNBZEMEGNF-KRWDZBQOSA-N 1 0 378.270 2.257 20 0 GEADRO CCN(CC[NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000625835195 652373161 /nfs/dbraw/zinc/37/31/61/652373161.db2.gz XOKSEJPAAMKZCT-UHFFFAOYSA-N 1 0 388.921 2.327 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000625872543 652374153 /nfs/dbraw/zinc/37/41/53/652374153.db2.gz MTTPOTPDOWKMQP-UHFFFAOYSA-N 1 0 396.289 2.335 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C[NH2+]1 ZINC000625877363 652374472 /nfs/dbraw/zinc/37/44/72/652374472.db2.gz DZMGXXSVRCCCTF-PWSUYJOCSA-N 1 0 379.262 2.292 20 0 GEADRO C[C@H](C[NH2+]C[C@@H](O)COC1CCOCC1)Oc1cccc(Br)c1 ZINC000580304505 652375136 /nfs/dbraw/zinc/37/51/36/652375136.db2.gz IYSSKGSDEXYNOC-UKRRQHHQSA-N 1 0 388.302 2.363 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000580429244 652380487 /nfs/dbraw/zinc/38/04/87/652380487.db2.gz ZZGWAFOQEKINBL-VXGBXAGGSA-N 1 0 395.305 2.297 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000626168750 652382895 /nfs/dbraw/zinc/38/28/95/652382895.db2.gz YUBSZJALAFOMTJ-ZDUSSCGKSA-N 1 0 380.432 2.389 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1F ZINC000580561181 652383638 /nfs/dbraw/zinc/38/36/38/652383638.db2.gz OMKURKIPPXRORF-UHFFFAOYSA-N 1 0 386.265 2.423 20 0 GEADRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cncc(Br)c1 ZINC000580581565 652384784 /nfs/dbraw/zinc/38/47/84/652384784.db2.gz JOFDSLCXRCILKX-BBRMVZONSA-N 1 0 383.334 2.437 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000752396955 652385498 /nfs/dbraw/zinc/38/54/98/652385498.db2.gz UOSORNZIVFLUFP-RYUDHWBXSA-N 1 0 386.279 2.220 20 0 GEADRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000626254151 652387437 /nfs/dbraw/zinc/38/74/37/652387437.db2.gz PPFUTTNKFWSUBP-AWEZNQCLSA-N 1 0 383.290 2.219 20 0 GEADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCn2cc(Br)cn2)C[C@@H](C)C1 ZINC000580720916 652389947 /nfs/dbraw/zinc/38/99/47/652389947.db2.gz SSISTDKLYHNRSC-KCQAQPDRSA-N 1 0 384.322 2.017 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CCO1 ZINC000660157929 652391222 /nfs/dbraw/zinc/39/12/22/652391222.db2.gz RLDJPLTVCGCWLH-NSHDSACASA-N 1 0 382.860 2.350 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000660158549 652391693 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O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000626538600 652394795 /nfs/dbraw/zinc/39/47/95/652394795.db2.gz KLHQNKSNAOYHJQ-GWCFXTLKSA-N 1 0 383.773 2.448 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000580892298 652395434 /nfs/dbraw/zinc/39/54/34/652395434.db2.gz DAMUNFMDRGGZFS-GWCFXTLKSA-N 1 0 394.324 2.000 20 0 GEADRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000580948323 652397676 /nfs/dbraw/zinc/39/76/76/652397676.db2.gz QOGQXYDBMSISEX-YSVLISHTSA-N 1 0 399.329 2.472 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cccc(Br)c1)C2=O ZINC000580950718 652398031 /nfs/dbraw/zinc/39/80/31/652398031.db2.gz UZSKAYUVXPEIAY-YVEFUNNKSA-N 1 0 394.269 2.071 20 0 GEADRO C[C@@H](NC(=O)CCCOc1ccc(I)cc1)[C@H](C)[NH3+] ZINC000581070801 652400756 /nfs/dbraw/zinc/40/07/56/652400756.db2.gz CCESEVPFCGOQKO-WDEREUQCSA-N 1 0 376.238 2.302 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000626829566 652403776 /nfs/dbraw/zinc/40/37/76/652403776.db2.gz VFVCGARNSLDLPR-SSDOTTSWSA-N 1 0 378.629 2.000 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)CC[C@@H]1[NH3+] ZINC000626832466 652404771 /nfs/dbraw/zinc/40/47/71/652404771.db2.gz VGXDRMNOOSXNCM-FZMZJTMJSA-N 1 0 392.297 2.023 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626851933 652406110 /nfs/dbraw/zinc/40/61/10/652406110.db2.gz YQPHFPPMNSPWSA-ZDUSSCGKSA-N 1 0 396.285 2.105 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c(Br)c1 ZINC000626851676 652406168 /nfs/dbraw/zinc/40/61/68/652406168.db2.gz UWJSMNBQUCLDGQ-CYBMUJFWSA-N 1 0 380.286 2.405 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(Br)cc2cccnc21 ZINC000581199614 652406283 /nfs/dbraw/zinc/40/62/83/652406283.db2.gz JWMCSCPNEPIQCD-SFHVURJKSA-N 1 0 390.281 2.184 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000626862850 652407086 /nfs/dbraw/zinc/40/70/86/652407086.db2.gz UYBSSMBNFHUYGF-CMPLNLGQSA-N 1 0 379.766 2.434 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2F)CC[C@@H]1C(F)(F)F ZINC000626862141 652407171 /nfs/dbraw/zinc/40/71/71/652407171.db2.gz YEEFONZKXMUEJF-IUCAKERBSA-N 1 0 381.757 2.403 20 0 GEADRO CS(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000581246315 652407598 /nfs/dbraw/zinc/40/75/98/652407598.db2.gz PJRZQLVSYYKKEW-KRWDZBQOSA-N 1 0 383.897 2.411 20 0 GEADRO C[NH2+]CC1CCN(C(=O)COc2cccc(I)c2)CC1 ZINC000581249754 652407947 /nfs/dbraw/zinc/40/79/47/652407947.db2.gz PRXNKLZEVJNCRV-UHFFFAOYSA-N 1 0 388.249 2.128 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000626892390 652408085 /nfs/dbraw/zinc/40/80/85/652408085.db2.gz HCKSIQKNOVKMOG-ZYHUDNBSSA-N 1 0 384.274 2.043 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C[NH2+]1 ZINC000626893868 652408380 /nfs/dbraw/zinc/40/83/80/652408380.db2.gz RYXJKFMDSVBRGR-GXFFZTMASA-N 1 0 391.269 2.193 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C[NH2+]1 ZINC000626894140 652408661 /nfs/dbraw/zinc/40/86/61/652408661.db2.gz WCWXQAKRGNUKOL-SFYZADRCSA-N 1 0 392.656 2.437 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1Br ZINC000626901487 652409003 /nfs/dbraw/zinc/40/90/03/652409003.db2.gz JIRAUYAUWPWTGV-CALCHBBNSA-N 1 0 398.276 2.293 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1F ZINC000626901270 652409064 /nfs/dbraw/zinc/40/90/64/652409064.db2.gz CTJRYHXUIQUWMU-CALCHBBNSA-N 1 0 398.276 2.293 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)NCC1(S(C)(=O)=O)CCCCC1)C(C)(C)C ZINC000660674607 652409424 /nfs/dbraw/zinc/40/94/24/652409424.db2.gz AUXXXUINJVMWNK-OAHLLOKOSA-N 1 0 375.579 2.400 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)ccc3Br)C[C@@H]12 ZINC000581298383 652409518 /nfs/dbraw/zinc/40/95/18/652409518.db2.gz GMEVNZXCMQEGCU-HLUHBDAQSA-N 1 0 386.677 2.237 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(Cl)ccc3Br)C[C@H]12 ZINC000581298385 652409581 /nfs/dbraw/zinc/40/95/81/652409581.db2.gz GMEVNZXCMQEGCU-PTOFAABTSA-N 1 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2.244 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000582229321 652441295 /nfs/dbraw/zinc/44/12/95/652441295.db2.gz HPEYGTQWYUIVGQ-UHFFFAOYSA-N 1 0 380.645 2.296 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661980202 652443839 /nfs/dbraw/zinc/44/38/39/652443839.db2.gz YIBKJFKVGBZSSS-CHWSQXEVSA-N 1 0 385.917 2.261 20 0 GEADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)C1CCC(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000662001186 652444560 /nfs/dbraw/zinc/44/45/60/652444560.db2.gz SPZWXIKINVIRQE-VAZJSPDQSA-N 1 0 376.538 2.307 20 0 GEADRO C[N@@H+]1CCC[C@@H](CN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308979 652444821 /nfs/dbraw/zinc/44/48/21/652444821.db2.gz FOOXVAGQIBJDCK-WFASDCNBSA-N 1 0 380.286 2.012 20 0 GEADRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000662017220 652445487 /nfs/dbraw/zinc/44/54/87/652445487.db2.gz OWYUIVDKKYHKND-CHWSQXEVSA-N 1 0 390.311 2.421 20 0 GEADRO CC[C@H]1C[N@H+](CC)CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000582342154 652446322 /nfs/dbraw/zinc/44/63/22/652446322.db2.gz CHMVZBQLEHLWNI-HNNXBMFYSA-N 1 0 379.302 2.373 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000582350486 652446863 /nfs/dbraw/zinc/44/68/63/652446863.db2.gz HHIJNFNCNIIJGJ-ARFHVFGLSA-N 1 0 396.329 2.253 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3Cl)C[C@@H]21 ZINC000582402789 652448936 /nfs/dbraw/zinc/44/89/36/652448936.db2.gz QVDZYBFYJMHULP-RNCFNFMXSA-N 1 0 386.677 2.204 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(Cc3cn4cc(Br)ccc4n3)CC2)C1 ZINC000662153656 652448915 /nfs/dbraw/zinc/44/89/15/652448915.db2.gz BJNPTQSCYJDDCG-INIZCTEOSA-N 1 0 379.302 2.128 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(Cc3nc4cc(Br)ccc4[nH]3)CC2)C1 ZINC000662153096 652449098 /nfs/dbraw/zinc/44/90/98/652449098.db2.gz NQVWWEROTSXTQH-AWEZNQCLSA-N 1 0 379.302 2.356 20 0 GEADRO C[C@H]1C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@]1(C)CO ZINC000662150712 652449189 /nfs/dbraw/zinc/44/91/89/652449189.db2.gz RSNYYXJGNZYJKY-XHDPSFHLSA-N 1 0 375.332 2.419 20 0 GEADRO C[C@@](O)(C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)C(F)(F)F ZINC000582416025 652449253 /nfs/dbraw/zinc/44/92/53/652449253.db2.gz RVYOYFVRJJSPDK-OAHLLOKOSA-N 1 0 380.432 2.015 20 0 GEADRO COc1cc(Br)c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000662159773 652449529 /nfs/dbraw/zinc/44/95/29/652449529.db2.gz KTXSIIOKPGAGDE-HNNXBMFYSA-N 1 0 399.329 2.497 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000662154973 652449542 /nfs/dbraw/zinc/44/95/42/652449542.db2.gz HVASPEAIMCSMJU-CQSZACIVSA-N 1 0 383.286 2.209 20 0 GEADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662160144 652450016 /nfs/dbraw/zinc/45/00/16/652450016.db2.gz MTOLYYXSRGEQGJ-CABCVRRESA-N 1 0 389.323 2.264 20 0 GEADRO O[C@@H](COc1c(Cl)cccc1Cl)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662160152 652450076 /nfs/dbraw/zinc/45/00/76/652450076.db2.gz MTOLYYXSRGEQGJ-LSDHHAIUSA-N 1 0 389.323 2.264 20 0 GEADRO Cc1cc(CN2CCCC[C@H]2CCNS(C)(=O)=O)ncc1Br ZINC000628139069 652452870 /nfs/dbraw/zinc/45/28/70/652452870.db2.gz VSHNHKAZYLWXSR-AWEZNQCLSA-N 1 0 390.347 2.446 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248530 652454367 /nfs/dbraw/zinc/45/43/67/652454367.db2.gz FFTQCGVEPITISI-AWEZNQCLSA-N 1 0 384.307 2.272 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662258910 652454740 /nfs/dbraw/zinc/45/47/40/652454740.db2.gz YDYCBHIGVHMNBG-INIZCTEOSA-N 1 0 382.302 2.088 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662256126 652454867 /nfs/dbraw/zinc/45/48/67/652454867.db2.gz GQWSXEBROABLMV-INIZCTEOSA-N 1 0 382.302 2.088 20 0 GEADRO O=S(=O)(CC[NH2+]CCc1cccc(C(F)(F)F)c1)N1CCSCC1 ZINC000628213629 652455175 /nfs/dbraw/zinc/45/51/75/652455175.db2.gz QXTSYIDXVWPJPE-UHFFFAOYSA-N 1 0 382.473 2.216 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000582594261 652456412 /nfs/dbraw/zinc/45/64/12/652456412.db2.gz GBTIVERLWDECIF-HIFRSBDPSA-N 1 0 392.297 2.087 20 0 GEADRO O=C(c1sc2c(c1Br)CNC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000662357411 652457201 /nfs/dbraw/zinc/45/72/01/652457201.db2.gz YVSOQVYSAKCDHQ-UHFFFAOYSA-N 1 0 393.310 2.471 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CSc3ccc(Br)cc32)CCCO1 ZINC000582655547 652457875 /nfs/dbraw/zinc/45/78/75/652457875.db2.gz MFORLMHDDIRHBQ-WCQYABFASA-N 1 0 386.315 2.355 20 0 GEADRO O=C(NCc1cc(F)cc(Br)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000662399664 652459012 /nfs/dbraw/zinc/45/90/12/652459012.db2.gz ZKVBYYYMDYBEAI-UHFFFAOYSA-N 1 0 382.237 2.034 20 0 GEADRO O=C(NCCc1ccc(F)c(Br)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000662396143 652459082 /nfs/dbraw/zinc/45/90/82/652459082.db2.gz SVPUIUFOFPPSBG-UHFFFAOYSA-N 1 0 396.264 2.077 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000628496617 652460035 /nfs/dbraw/zinc/46/00/35/652460035.db2.gz VKBJMPGOZUYNSC-CYBMUJFWSA-N 1 0 388.555 2.187 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000582715237 652460341 /nfs/dbraw/zinc/46/03/41/652460341.db2.gz ADZPIRMNJPVBDE-ZFWWWQNUSA-N 1 0 381.318 2.408 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582725660 652460568 /nfs/dbraw/zinc/46/05/68/652460568.db2.gz UVCSWIBRZFONNL-UWVGGRQHSA-N 1 0 379.707 2.333 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662439198 652460883 /nfs/dbraw/zinc/46/08/83/652460883.db2.gz KHLJXWQJBNKAJD-INIZCTEOSA-N 1 0 384.318 2.066 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000582732998 652461011 /nfs/dbraw/zinc/46/10/11/652461011.db2.gz XOSJULJJKXRNEV-UHFFFAOYSA-N 1 0 385.258 2.018 20 0 GEADRO N[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000662467189 652462872 /nfs/dbraw/zinc/46/28/72/652462872.db2.gz QYCHTLQKKARMHO-DYVFJYSZSA-N 1 0 396.329 2.066 20 0 GEADRO N[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000662467191 652463063 /nfs/dbraw/zinc/46/30/63/652463063.db2.gz QYCHTLQKKARMHO-SUMWQHHRSA-N 1 0 396.329 2.066 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662470388 652463099 /nfs/dbraw/zinc/46/30/99/652463099.db2.gz GOTRYAPWSPGIKZ-OAHLLOKOSA-N 1 0 392.301 2.328 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000582845074 652463604 /nfs/dbraw/zinc/46/36/04/652463604.db2.gz DLEKQWYWZQAYBY-CVEARBPZSA-N 1 0 376.881 2.137 20 0 GEADRO C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Oc1ccccc1Br ZINC000662490534 652464214 /nfs/dbraw/zinc/46/42/14/652464214.db2.gz QJSJJFBMMQYJQO-VXGBXAGGSA-N 1 0 393.285 2.446 20 0 GEADRO O=C(NCc1cc(Br)cs1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662501985 652464826 /nfs/dbraw/zinc/46/48/26/652464826.db2.gz QHWWRXDUCGAXBY-NSHDSACASA-N 1 0 384.303 2.347 20 0 GEADRO CCS(=O)(=O)Nc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1C ZINC000662518411 652465650 /nfs/dbraw/zinc/46/56/50/652465650.db2.gz FPNMVMGTQSOQIN-AWEZNQCLSA-N 1 0 379.404 2.237 20 0 GEADRO O=C(NCCOc1cccc(Br)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662527295 652466063 /nfs/dbraw/zinc/46/60/63/652466063.db2.gz SPQRHGGTDCFPSE-CYBMUJFWSA-N 1 0 381.192 2.486 20 0 GEADRO C[C@H](OC[C@H](O)C[NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000582899734 652466092 /nfs/dbraw/zinc/46/60/92/652466092.db2.gz DXBMIGREBRUPMM-XJKSGUPXSA-N 1 0 392.949 2.086 20 0 GEADRO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2cc(Br)ccc2C1 ZINC000662537684 652466456 /nfs/dbraw/zinc/46/64/56/652466456.db2.gz PFBBXSVIPHNQJP-LBPRGKRZSA-N 1 0 375.270 2.448 20 0 GEADRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000582909428 652466760 /nfs/dbraw/zinc/46/67/60/652466760.db2.gz WHUVFVCKJRWBGO-SNVBAGLBSA-N 1 0 399.257 2.174 20 0 GEADRO O=C(NCCCNC(=O)C1([NH2+]C2CC2)CCC1)c1ccc(Br)cc1 ZINC000662550811 652467668 /nfs/dbraw/zinc/46/76/68/652467668.db2.gz GFRJIEZIZZBDNB-UHFFFAOYSA-N 1 0 394.313 2.360 20 0 GEADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662565578 652467994 /nfs/dbraw/zinc/46/79/94/652467994.db2.gz OYOKNPYNEPMTGC-TXEJJXNPSA-N 1 0 381.270 2.292 20 0 GEADRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000662564854 652468136 /nfs/dbraw/zinc/46/81/36/652468136.db2.gz AIWIJLUXJYOZMA-CYBMUJFWSA-N 1 0 378.274 2.239 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCc2c1ccc(F)c2Br)c1cnccn1 ZINC000582945191 652468161 /nfs/dbraw/zinc/46/81/61/652468161.db2.gz BGKGIFWTPJGKJP-ZDUSSCGKSA-N 1 0 379.233 2.385 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2Cl)n1 ZINC000582952509 652468527 /nfs/dbraw/zinc/46/85/27/652468527.db2.gz JKEOVWWFBSONOT-UHFFFAOYSA-N 1 0 382.898 2.283 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CCCO1 ZINC000662574971 652468524 /nfs/dbraw/zinc/46/85/24/652468524.db2.gz ONTJOSYOBWJRGV-ZDUSSCGKSA-N 1 0 380.242 2.294 20 0 GEADRO CC(C)(C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CC[NH2+]CC1 ZINC000662631483 652469493 /nfs/dbraw/zinc/46/94/93/652469493.db2.gz UPQLSHVYWLXNER-UHFFFAOYSA-N 1 0 385.339 2.326 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662622710 652469621 /nfs/dbraw/zinc/46/96/21/652469621.db2.gz DNVKITVRLCQLIK-DOMZBBRYSA-N 1 0 375.778 2.104 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662622719 652469691 /nfs/dbraw/zinc/46/96/91/652469691.db2.gz DNVKITVRLCQLIK-WFASDCNBSA-N 1 0 375.778 2.104 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1Br ZINC000583012678 652471152 /nfs/dbraw/zinc/47/11/52/652471152.db2.gz WNRDWCKICVSVED-KRWDZBQOSA-N 1 0 398.276 2.437 20 0 GEADRO COCC1(CNS(=O)(=O)c2cccc3c(Cl)ccnc32)CC[NH2+]CC1 ZINC000583024829 652471591 /nfs/dbraw/zinc/47/15/91/652471591.db2.gz KWGUWLVUBZIMBP-UHFFFAOYSA-N 1 0 383.901 2.183 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000662721782 652471675 /nfs/dbraw/zinc/47/16/75/652471675.db2.gz FALYMMSSRCDRMR-YSTGTXGZSA-N 1 0 382.291 2.466 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000662721281 652471770 /nfs/dbraw/zinc/47/17/70/652471770.db2.gz NJGBUVKIYBLTBI-YSTGTXGZSA-N 1 0 382.291 2.466 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662733259 652471896 /nfs/dbraw/zinc/47/18/96/652471896.db2.gz RYSOIWWORQITMJ-CVEARBPZSA-N 1 0 396.329 2.145 20 0 GEADRO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCOc2cc(Br)ccc2C1 ZINC000662744532 652472357 /nfs/dbraw/zinc/47/23/57/652472357.db2.gz PMPOGRGUCGEPBS-LLVKDONJSA-N 1 0 391.269 2.284 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000662745447 652472879 /nfs/dbraw/zinc/47/28/79/652472879.db2.gz IMFPVXYLKUXUJN-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc(Br)ccc2C)CC1 ZINC000662747125 652472924 /nfs/dbraw/zinc/47/29/24/652472924.db2.gz YDPRHZFRWSCKPV-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000662796130 652474689 /nfs/dbraw/zinc/47/46/89/652474689.db2.gz IPRLOMHERLJBKV-DLBZAZTESA-N 1 0 386.323 2.438 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000662796134 652474943 /nfs/dbraw/zinc/47/49/43/652474943.db2.gz IPRLOMHERLJBKV-SJORKVTESA-N 1 0 386.323 2.438 20 0 GEADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000662800874 652475010 /nfs/dbraw/zinc/47/50/10/652475010.db2.gz ULMXVGNMNSRBAB-JKSUJKDBSA-N 1 0 383.286 2.183 20 0 GEADRO CN(CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)c1ccc(Br)o1 ZINC000628966749 652476341 /nfs/dbraw/zinc/47/63/41/652476341.db2.gz QJKSMRMSLNLOCG-CYBMUJFWSA-N 1 0 398.301 2.247 20 0 GEADRO CCNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000583199256 652476373 /nfs/dbraw/zinc/47/63/73/652476373.db2.gz GCJFTDXWBRQJCA-KRWDZBQOSA-N 1 0 382.913 2.331 20 0 GEADRO CN(CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)c1ccc(Br)o1 ZINC000628966750 652476359 /nfs/dbraw/zinc/47/63/59/652476359.db2.gz QJKSMRMSLNLOCG-ZDUSSCGKSA-N 1 0 398.301 2.247 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)c1ccn2nnnc2c1)c1ccc(Cl)c(Cl)c1 ZINC000628968263 652476402 /nfs/dbraw/zinc/47/64/02/652476402.db2.gz FSWAEDWLKTZCMO-CQSZACIVSA-N 1 0 379.251 2.464 20 0 GEADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)CCOC1C[NH2+]C1 ZINC000662859927 652476606 /nfs/dbraw/zinc/47/66/06/652476606.db2.gz WJDTVDOIKUYTKB-PXAZEXFGSA-N 1 0 383.286 2.116 20 0 GEADRO CSc1cc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c(Cl)cc1Cl ZINC000583202480 652476741 /nfs/dbraw/zinc/47/67/41/652476741.db2.gz YDGDQDMUZRPFFZ-UHFFFAOYSA-N 1 0 387.296 2.495 20 0 GEADRO O=C(CCOC1C[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662864740 652477018 /nfs/dbraw/zinc/47/70/18/652477018.db2.gz VYTVSMOTUCZGIC-UHFFFAOYSA-N 1 0 378.270 2.194 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000755839373 652477759 /nfs/dbraw/zinc/47/77/59/652477759.db2.gz XXHLJURSWRMLIL-OLZOCXBDSA-N 1 0 377.432 2.095 20 0 GEADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662926141 652478696 /nfs/dbraw/zinc/47/86/96/652478696.db2.gz XIHIQXWWUUUQPU-CUOATXAZSA-N 1 0 376.259 2.411 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N(C)CCC[NH3+])ccc1Br ZINC000662943018 652479404 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O=C(CCN1CCOCC1)Nc1cnn(-c2ccccc2Br)c1 ZINC000756142157 652490089 /nfs/dbraw/zinc/49/00/89/652490089.db2.gz IMUWLTJEDFDZAT-UHFFFAOYSA-N 1 0 379.258 2.296 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)C[C@H]1C ZINC000756180071 652491688 /nfs/dbraw/zinc/49/16/88/652491688.db2.gz PJPHFHDSBHTJIJ-VXGBXAGGSA-N 1 0 389.905 2.015 20 0 GEADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000663308979 652492792 /nfs/dbraw/zinc/49/27/92/652492792.db2.gz IKDLKUNSBSHLBD-SECBINFHSA-N 1 0 382.738 2.452 20 0 GEADRO C[C@H](C(=O)N1CCc2sccc2C1)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561817 652493613 /nfs/dbraw/zinc/49/36/13/652493613.db2.gz KMSVFZOGAQKLAQ-XBFCOCLRSA-N 1 0 375.460 2.480 20 0 GEADRO C[C@@]1(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC[NH2+]C1 ZINC000663313190 652493691 /nfs/dbraw/zinc/49/36/91/652493691.db2.gz UDVIPBCXGAEMCP-WMLDXEAASA-N 1 0 388.917 2.318 20 0 GEADRO C[C@]1(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)CC[NH2+]C1 ZINC000663313104 652493703 /nfs/dbraw/zinc/49/37/03/652493703.db2.gz RJRKVKJCRGFSDY-NSHDSACASA-N 1 0 387.221 2.498 20 0 GEADRO C[C@]1(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)CC[NH2+]C1 ZINC000663313500 652493817 /nfs/dbraw/zinc/49/38/17/652493817.db2.gz FTBQZUGMMQYQHG-AWEZNQCLSA-N 1 0 384.395 2.134 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000663363114 652495167 /nfs/dbraw/zinc/49/51/67/652495167.db2.gz HMFRVTAYJJUECR-LLVKDONJSA-N 1 0 382.309 2.290 20 0 GEADRO CN(C(=O)CC[NH2+]CCn1cc(Br)ccc1=O)c1ccccc1 ZINC000663374411 652495866 /nfs/dbraw/zinc/49/58/66/652495866.db2.gz KIRRYPGFMCBTSL-UHFFFAOYSA-N 1 0 378.270 2.254 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(Br)cnn2)CC1 ZINC000663388967 652496512 /nfs/dbraw/zinc/49/65/12/652496512.db2.gz DBCCZTHZVITGSV-UHFFFAOYSA-N 1 0 398.349 2.304 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNc3cc(Br)cnn3)cn2)CC1 ZINC000663391014 652496588 /nfs/dbraw/zinc/49/65/88/652496588.db2.gz HKVDAFVQKZTXEJ-UHFFFAOYSA-N 1 0 377.290 2.388 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000583812418 652498432 /nfs/dbraw/zinc/49/84/32/652498432.db2.gz GLWQFCOZHKJFMJ-ZJUUUORDSA-N 1 0 390.709 2.303 20 0 GEADRO Brc1ccc(-c2nnc(CN[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)[nH]2)cc1 ZINC000583865857 652500549 /nfs/dbraw/zinc/50/05/49/652500549.db2.gz JUBJASJBBGFOFZ-HOCLYGCPSA-N 1 0 392.301 2.091 20 0 GEADRO O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000583872621 652500834 /nfs/dbraw/zinc/50/08/34/652500834.db2.gz VZWCWOKEOSAZJD-MRXNPFEDSA-N 1 0 394.313 2.266 20 0 GEADRO C[C@](O)(C[C@H](O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000630041388 652501307 /nfs/dbraw/zinc/50/13/07/652501307.db2.gz MKRKYZSQRSXELJ-OALUTQOASA-N 1 0 397.357 2.479 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc(C2CC2)ncc1Br ZINC000663522793 652502702 /nfs/dbraw/zinc/50/27/02/652502702.db2.gz VNWGHJVTQZRWNG-AWEZNQCLSA-N 1 0 396.333 2.471 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663603878 652505915 /nfs/dbraw/zinc/50/59/15/652505915.db2.gz JZKDXIKJZNUSOP-SECBINFHSA-N 1 0 379.766 2.245 20 0 GEADRO C[C@]1(NC(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[NH2+]C1 ZINC000663615418 652506754 /nfs/dbraw/zinc/50/67/54/652506754.db2.gz NGBXJLPNQSZUJQ-ZDUSSCGKSA-N 1 0 394.191 2.275 20 0 GEADRO C[C@]1(NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CC[NH2+]C1 ZINC000663613653 652506769 /nfs/dbraw/zinc/50/67/69/652506769.db2.gz SLMGUFRKOFJDBI-AWEZNQCLSA-N 1 0 379.766 2.088 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)c1cccnc1 ZINC000584045737 652506800 /nfs/dbraw/zinc/50/68/00/652506800.db2.gz CDLFQUJLEYJHLD-CQSZACIVSA-N 1 0 388.269 2.291 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000584043080 652506817 /nfs/dbraw/zinc/50/68/17/652506817.db2.gz WWYAWFWHZZPZIL-AWEZNQCLSA-N 1 0 386.334 2.287 20 0 GEADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccccc2Br)CC12CCOCC2 ZINC000584053864 652507521 /nfs/dbraw/zinc/50/75/21/652507521.db2.gz HIBGNMZVWSGJGK-ZDUSSCGKSA-N 1 0 382.302 2.075 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)NCc1cc(Br)cs1 ZINC000663704949 652509374 /nfs/dbraw/zinc/50/93/74/652509374.db2.gz QUYIESOFLOXZKU-UHFFFAOYSA-N 1 0 377.352 2.193 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1(C)C ZINC000584122972 652510313 /nfs/dbraw/zinc/51/03/13/652510313.db2.gz HNDYVKYJJVDSIN-UHFFFAOYSA-N 1 0 378.274 2.196 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000630559432 652511826 /nfs/dbraw/zinc/51/18/26/652511826.db2.gz RSVUUDDJGNCQGF-IEBWSBKVSA-N 1 0 394.357 2.480 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000584162041 652511862 /nfs/dbraw/zinc/51/18/62/652511862.db2.gz ZDFOMTROTNGSPV-SNVBAGLBSA-N 1 0 379.814 2.417 20 0 GEADRO C[C@H](CCNC(=O)NCc1cc(Br)c2c(c1)OCCO2)[NH+](C)C ZINC000663827557 652512354 /nfs/dbraw/zinc/51/23/54/652512354.db2.gz AFAWFIARRBXDNK-LLVKDONJSA-N 1 0 386.290 2.360 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000584276696 652515009 /nfs/dbraw/zinc/51/50/09/652515009.db2.gz XKXSYDBQCGTZLU-LLVKDONJSA-N 1 0 388.331 2.089 20 0 GEADRO CCOc1ccc(OC[C@H](O)C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000584315352 652516124 /nfs/dbraw/zinc/51/61/24/652516124.db2.gz UMYHJNMYFSBUDX-OAHLLOKOSA-N 1 0 398.301 2.416 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)NCCOc2cccc(Br)c2)cn1 ZINC000630799163 652516557 /nfs/dbraw/zinc/51/65/57/652516557.db2.gz UAOGDCRUUUXYDA-UHFFFAOYSA-N 1 0 381.274 2.016 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000584364088 652518366 /nfs/dbraw/zinc/51/83/66/652518366.db2.gz NSQDBQTVSWVMKQ-UHFFFAOYSA-N 1 0 390.709 2.177 20 0 GEADRO CC1CC[NH+](CCNc2cccc(OC(F)(F)F)c2S(N)(=O)=O)CC1 ZINC000631058341 652519504 /nfs/dbraw/zinc/51/95/04/652519504.db2.gz BNMCXFMUGYXFIR-UHFFFAOYSA-N 1 0 381.420 2.376 20 0 GEADRO CC(C)[NH2+]C1CCN(c2cccc(OC(F)(F)F)c2S(N)(=O)=O)CC1 ZINC000631095881 652519902 /nfs/dbraw/zinc/51/99/02/652519902.db2.gz PPSKRUJYXJLPNK-UHFFFAOYSA-N 1 0 381.420 2.199 20 0 GEADRO COc1cc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)c(F)cc1Br ZINC000631105978 652520255 /nfs/dbraw/zinc/52/02/55/652520255.db2.gz XXGOSEMQWSLTDB-CQSZACIVSA-N 1 0 389.265 2.357 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000584474642 652522350 /nfs/dbraw/zinc/52/23/50/652522350.db2.gz BPBWCLDCFQWYSH-ROUUACIJSA-N 1 0 384.362 2.488 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)COc1cccc(I)c1 ZINC000584585329 652524195 /nfs/dbraw/zinc/52/41/95/652524195.db2.gz XGRYEMAVRWDTCT-UHFFFAOYSA-N 1 0 376.238 2.304 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCc2cc[nH]c(=O)c2C1)c1ccc(Br)cc1 ZINC000584589197 652524558 /nfs/dbraw/zinc/52/45/58/652524558.db2.gz DFZLWZRCLDYGBY-QGZVFWFLSA-N 1 0 376.254 2.309 20 0 GEADRO CSc1ccncc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000664292211 652526118 /nfs/dbraw/zinc/52/61/18/652526118.db2.gz ZLFJRZWHLKBFRD-UHFFFAOYSA-N 1 0 378.523 2.394 20 0 GEADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000584715864 652526854 /nfs/dbraw/zinc/52/68/54/652526854.db2.gz DJFGUYBFQBGFFN-SFHVURJKSA-N 1 0 388.961 2.283 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)Nc3ccc(Br)cc3)CC2)C1=O ZINC000631529314 652526900 /nfs/dbraw/zinc/52/69/00/652526900.db2.gz IEVJJHHFGGPUIB-HNNXBMFYSA-N 1 0 395.301 2.266 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(I)c(Br)c1 ZINC000584719406 652527203 /nfs/dbraw/zinc/52/72/03/652527203.db2.gz TVONLPVWANVNQG-ZETCQYMHSA-N 1 0 397.054 2.473 20 0 GEADRO COc1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)ncc1Br ZINC000584778657 652528927 /nfs/dbraw/zinc/52/89/27/652528927.db2.gz SYTJVKHOJWDBSD-LQBHMHGISA-N 1 0 384.274 2.324 20 0 GEADRO COc1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)ncc1Br ZINC000584778656 652529030 /nfs/dbraw/zinc/52/90/30/652529030.db2.gz SYTJVKHOJWDBSD-HDIHMHJESA-N 1 0 384.274 2.324 20 0 GEADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000664597383 652531234 /nfs/dbraw/zinc/53/12/34/652531234.db2.gz ZWOVGUAETYRSMD-UHFFFAOYSA-N 1 0 379.766 2.389 20 0 GEADRO CC(C)[N@H+](C)C[C@H](O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000584849015 652531798 /nfs/dbraw/zinc/53/17/98/652531798.db2.gz FMGBAWASAPFQAH-HNNXBMFYSA-N 1 0 387.571 2.049 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000631709529 652532306 /nfs/dbraw/zinc/53/23/06/652532306.db2.gz MLAXCAAKIWORCN-GJZGRUSLSA-N 1 0 391.331 2.198 20 0 GEADRO O[C@H](CC[NH2+]Cc1cn(-c2ccccc2Br)nn1)C(F)(F)F ZINC000584870354 652532605 /nfs/dbraw/zinc/53/26/05/652532605.db2.gz AFDOPDHEGODADL-GFCCVEGCSA-N 1 0 379.180 2.433 20 0 GEADRO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000631711287 652532593 /nfs/dbraw/zinc/53/25/93/652532593.db2.gz MFESUHRNYNAHSV-UHFFFAOYSA-N 1 0 382.349 2.152 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631808747 652535551 /nfs/dbraw/zinc/53/55/51/652535551.db2.gz BCBWEUFPPKALLL-WQAKAFBOSA-N 1 0 377.304 2.051 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631810579 652535604 /nfs/dbraw/zinc/53/56/04/652535604.db2.gz WDIDOZMOOHSQSW-GWCFXTLKSA-N 1 0 399.314 2.479 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccnc2I)C1 ZINC000758298487 652536425 /nfs/dbraw/zinc/53/64/25/652536425.db2.gz KTKRYIYVFDWOGW-GFCCVEGCSA-N 1 0 387.265 2.490 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCN2CCOC(C)(C)C2)c(Br)c1 ZINC000585766877 652537589 /nfs/dbraw/zinc/53/75/89/652537589.db2.gz NZSIMKVYBZPWGM-UHFFFAOYSA-N 1 0 385.302 2.436 20 0 GEADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916142 652541089 /nfs/dbraw/zinc/54/10/89/652541089.db2.gz SQYLRPBAHPOJFI-HIFRSBDPSA-N 1 0 381.523 2.087 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1cc(Br)ccc1Br ZINC000631974968 652543575 /nfs/dbraw/zinc/54/35/75/652543575.db2.gz ZUYUCEWHBLUSRA-IONNQARKSA-N 1 0 398.120 2.322 20 0 GEADRO CC[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631980473 652544284 /nfs/dbraw/zinc/54/42/84/652544284.db2.gz JTXZWPWIWSLJCV-GOSISDBHSA-N 1 0 387.977 2.218 20 0 GEADRO COc1ccc2c(c1)C=C(S(=O)(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1)CC2 ZINC000758492862 652544388 /nfs/dbraw/zinc/54/43/88/652544388.db2.gz DSRNPQILUHXXTJ-MSOLQXFVSA-N 1 0 382.551 2.290 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000632053517 652546796 /nfs/dbraw/zinc/54/67/96/652546796.db2.gz VLHMDSLZIYGLLM-GHMZBOCLSA-N 1 0 382.370 2.475 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000632075864 652549396 /nfs/dbraw/zinc/54/93/96/652549396.db2.gz ZNEVNBFKOZCPJM-UHFFFAOYSA-N 1 0 382.452 2.324 20 0 GEADRO NS(=O)(=O)c1ccsc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000665279880 652550275 /nfs/dbraw/zinc/55/02/75/652550275.db2.gz OHRVSCIUYABKJE-UHFFFAOYSA-N 1 0 385.555 2.314 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632085391 652550309 /nfs/dbraw/zinc/55/03/09/652550309.db2.gz NSYHRZNTKJGIDP-TUAOUCFPSA-N 1 0 382.452 2.084 20 0 GEADRO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(C)C ZINC000588225272 652550856 /nfs/dbraw/zinc/55/08/56/652550856.db2.gz PYVONWZIGWHGKG-HNNXBMFYSA-N 1 0 387.571 2.138 20 0 GEADRO CC[C@@H](CSc1ccccc1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632136366 652552774 /nfs/dbraw/zinc/55/27/74/652552774.db2.gz OLPJCSOABXRLTJ-KRWDZBQOSA-N 1 0 385.599 2.114 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000665489820 652553476 /nfs/dbraw/zinc/55/34/76/652553476.db2.gz FITPTPRRQCNIPS-UHFFFAOYSA-N 1 0 398.345 2.360 20 0 GEADRO CC(C)[NH+](CCNC(=O)c1cc(Br)ccc1-n1cnnn1)C(C)C ZINC000665535403 652554273 /nfs/dbraw/zinc/55/42/73/652554273.db2.gz SDKGWYDAYOFTFS-UHFFFAOYSA-N 1 0 395.305 2.273 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000588746047 652555874 /nfs/dbraw/zinc/55/58/74/652555874.db2.gz VOQASFDHVIPPBR-LBPRGKRZSA-N 1 0 388.295 2.076 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000758828239 652556409 /nfs/dbraw/zinc/55/64/09/652556409.db2.gz KUUYKSGPSFLHJU-CJNGLKHVSA-N 1 0 390.311 2.437 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(F)c1Cl ZINC000632368300 652559706 /nfs/dbraw/zinc/55/97/06/652559706.db2.gz FNJXDBHFDABESM-PELKAZGASA-N 1 0 395.859 2.290 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000632368625 652559816 /nfs/dbraw/zinc/55/98/16/652559816.db2.gz IZVRXHOSWDTTLM-HIFRSBDPSA-N 1 0 390.933 2.468 20 0 GEADRO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000589189370 652561678 /nfs/dbraw/zinc/56/16/78/652561678.db2.gz OHIBYGHKPKEHLI-AWEZNQCLSA-N 1 0 380.794 2.479 20 0 GEADRO COc1c(Cl)cc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1Cl ZINC000665926061 652562681 /nfs/dbraw/zinc/56/26/81/652562681.db2.gz BGNBRHTZSABTEK-UHFFFAOYSA-N 1 0 391.299 2.486 20 0 GEADRO C[C@@]1(C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)NC(=O)NC1=O ZINC000759165533 652565141 /nfs/dbraw/zinc/56/51/41/652565141.db2.gz INRSELKMAPNZBV-YOEHRIQHSA-N 1 0 386.279 2.337 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000632480708 652566757 /nfs/dbraw/zinc/56/67/57/652566757.db2.gz XNEPNBOGDXVEAN-INIZCTEOSA-N 1 0 375.897 2.182 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000666142511 652567394 /nfs/dbraw/zinc/56/73/94/652567394.db2.gz UHWHNGOJXVACFP-GFCCVEGCSA-N 1 0 399.310 2.193 20 0 GEADRO CSC1(CNC(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC[NH+](C)CC1 ZINC000589477804 652567718 /nfs/dbraw/zinc/56/77/18/652567718.db2.gz OATXKAMTBULJDA-CQSZACIVSA-N 1 0 384.567 2.137 20 0 GEADRO O=c1[nH]c2ccc(S(=O)(=O)NCC3CC[NH+](CC4CC4)CC3)cc2s1 ZINC000632575534 652568039 /nfs/dbraw/zinc/56/80/39/652568039.db2.gz RYIRNUCKEQTSTC-UHFFFAOYSA-N 1 0 381.523 2.402 20 0 GEADRO O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCC[N@H+](CC4CC4)C3)cc2s1 ZINC000632579156 652568084 /nfs/dbraw/zinc/56/80/84/652568084.db2.gz MVDLEQPNBFBBON-ZDUSSCGKSA-N 1 0 381.523 2.402 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(I)c(F)cc2F)C1 ZINC000590045314 652573391 /nfs/dbraw/zinc/57/33/91/652573391.db2.gz PAUUQGGTBSXDKD-SDBXPKJASA-N 1 0 392.187 2.346 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)CCO1 ZINC000666380030 652574258 /nfs/dbraw/zinc/57/42/58/652574258.db2.gz WCFJGYSKBOQRLE-JTQLQIEISA-N 1 0 381.424 2.217 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590109259 652575072 /nfs/dbraw/zinc/57/50/72/652575072.db2.gz IBUXKCCHVDVRSY-IAGOWNOFSA-N 1 0 397.313 2.267 20 0 GEADRO COC(C)(C)[C@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000590242875 652577290 /nfs/dbraw/zinc/57/72/90/652577290.db2.gz AAAZDVIUFUHVJP-AAEUAGOBSA-N 1 0 393.265 2.434 20 0 GEADRO Cc1ccc(Br)c(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000666467690 652577427 /nfs/dbraw/zinc/57/74/27/652577427.db2.gz DDIBMZIPRPJPCJ-UHFFFAOYSA-N 1 0 385.306 2.241 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cnc1Cl ZINC000759612614 652579716 /nfs/dbraw/zinc/57/97/16/652579716.db2.gz QBXPAPAROKBHDY-OAHLLOKOSA-N 1 0 387.933 2.309 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCOc3c(Br)cccc32)cn1 ZINC000632881010 652581671 /nfs/dbraw/zinc/58/16/71/652581671.db2.gz OZGZHCFMIHUPSE-HNNXBMFYSA-N 1 0 393.285 2.461 20 0 GEADRO Cc1cc(Br)c(CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)s1 ZINC000666639131 652582263 /nfs/dbraw/zinc/58/22/63/652582263.db2.gz XPCOTPYYPKSGMT-WDEREUQCSA-N 1 0 390.347 2.416 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)ccc1Cl ZINC000632891411 652582354 /nfs/dbraw/zinc/58/23/54/652582354.db2.gz BEJNDVIULLOMNM-NWDGAFQWSA-N 1 0 388.921 2.324 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000633046048 652583599 /nfs/dbraw/zinc/58/35/99/652583599.db2.gz NSGQDHGWGFXXLB-SECBINFHSA-N 1 0 378.420 2.081 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cn(C)cc(Br)c1=O ZINC000666698595 652585089 /nfs/dbraw/zinc/58/50/89/652585089.db2.gz RQPVYKWFRGBMFO-LBPRGKRZSA-N 1 0 385.306 2.390 20 0 GEADRO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1cccs1)Cc1cccs1 ZINC000633077215 652585142 /nfs/dbraw/zinc/58/51/42/652585142.db2.gz XBOFNEKNVSKXRK-OKILXGFUSA-N 1 0 375.519 2.301 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Br)c2nccn2c1 ZINC000633108909 652586266 /nfs/dbraw/zinc/58/62/66/652586266.db2.gz CVSPXYLIIBOBQC-UHFFFAOYSA-N 1 0 396.333 2.052 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C ZINC000592128044 652588561 /nfs/dbraw/zinc/58/85/61/652588561.db2.gz IEBLXEHJRKXUFT-WDBKCZKBSA-N 1 0 390.249 2.069 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccnn2Cc2cccs2)[C@@H]1SC ZINC000592169098 652589696 /nfs/dbraw/zinc/58/96/96/652589696.db2.gz KJRQVCNUAWXRSK-CPUCHLNUSA-N 1 0 380.539 2.430 20 0 GEADRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000592197875 652590497 /nfs/dbraw/zinc/59/04/97/652590497.db2.gz PWBIEWZTMREDBG-JQWIXIFHSA-N 1 0 375.252 2.178 20 0 GEADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000592195401 652590618 /nfs/dbraw/zinc/59/06/18/652590618.db2.gz KAPUASLVRPBGCF-MNOVXSKESA-N 1 0 375.252 2.178 20 0 GEADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1ccc(I)cc1 ZINC000592392620 652593280 /nfs/dbraw/zinc/59/32/80/652593280.db2.gz WXVBPSLLNUCEIL-LBPRGKRZSA-N 1 0 394.278 2.102 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(Cc2c(F)ccc(I)c2F)CCO1 ZINC000592428761 652594354 /nfs/dbraw/zinc/59/43/54/652594354.db2.gz UIOAMASGHWWETQ-PELKAZGASA-N 1 0 382.192 2.117 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000592433445 652594841 /nfs/dbraw/zinc/59/48/41/652594841.db2.gz FRPWGLWSGQJOAM-HNNXBMFYSA-N 1 0 393.285 2.176 20 0 GEADRO O=C(CN(C1CC1)C1CC[NH2+]CC1)Nc1cccc(I)c1 ZINC000592471181 652597043 /nfs/dbraw/zinc/59/70/43/652597043.db2.gz HEOQAFXIJSPFED-UHFFFAOYSA-N 1 0 399.276 2.446 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nc(SCc3ccccc3)ns2)CCCO1 ZINC000667218267 652597502 /nfs/dbraw/zinc/59/75/02/652597502.db2.gz PEBTYVVYAARTDL-CYBMUJFWSA-N 1 0 379.511 2.412 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2nc(SCc3ccccc3)ns2)CCCO1 ZINC000667218268 652597613 /nfs/dbraw/zinc/59/76/13/652597613.db2.gz PEBTYVVYAARTDL-ZDUSSCGKSA-N 1 0 379.511 2.412 20 0 GEADRO CCOC(=O)c1cc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)[nH]n1 ZINC000592515008 652598331 /nfs/dbraw/zinc/59/83/31/652598331.db2.gz PVMCEPAJNZRBMX-UHFFFAOYSA-N 1 0 385.873 2.193 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000592548053 652599484 /nfs/dbraw/zinc/59/94/84/652599484.db2.gz LPEGVZGFRJAGLK-GXFFZTMASA-N 1 0 375.252 2.124 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000667265912 652599487 /nfs/dbraw/zinc/59/94/87/652599487.db2.gz GLHXHXROSFAJHX-NSHDSACASA-N 1 0 375.803 2.181 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000633481027 652599723 /nfs/dbraw/zinc/59/97/23/652599723.db2.gz XADZZBSHXFBAMP-HUUCEWRRSA-N 1 0 397.313 2.278 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCOc1cccc(Cl)c1Cl ZINC000592550325 652599873 /nfs/dbraw/zinc/59/98/73/652599873.db2.gz FNYUNZVTNFBTGX-GFCCVEGCSA-N 1 0 375.252 2.126 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000667295622 652600117 /nfs/dbraw/zinc/60/01/17/652600117.db2.gz XKHLHJRTQPUTGD-UHFFFAOYSA-N 1 0 384.274 2.043 20 0 GEADRO COc1cc(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1Br ZINC000667325531 652601477 /nfs/dbraw/zinc/60/14/77/652601477.db2.gz PRMGBWNGBQJEMU-RNCFNFMXSA-N 1 0 388.262 2.046 20 0 GEADRO O=C(c1cccc2c(Br)cccc12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000633590567 652603138 /nfs/dbraw/zinc/60/31/38/652603138.db2.gz WFVLKIVGZIDXKB-QWHCGFSZSA-N 1 0 375.266 2.493 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667386401 652603257 /nfs/dbraw/zinc/60/32/57/652603257.db2.gz GOPXFXRXRADBTF-QMMMGPOBSA-N 1 0 392.656 2.391 20 0 GEADRO C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000633590292 652603213 /nfs/dbraw/zinc/60/32/13/652603213.db2.gz SMHWPLFCRRWSSX-DFGXFYAUSA-N 1 0 379.298 2.004 20 0 GEADRO CN1C(=O)CC[C@@H]1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000667427885 652605142 /nfs/dbraw/zinc/60/51/42/652605142.db2.gz SVHQFDONIFCBHW-MRXNPFEDSA-N 1 0 396.329 2.350 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)CCO1 ZINC000633649763 652605592 /nfs/dbraw/zinc/60/55/92/652605592.db2.gz ADWZZUWCLSXRLV-CUOATXAZSA-N 1 0 386.265 2.333 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)[C@H](C)C[NH2+]1 ZINC000667455357 652606298 /nfs/dbraw/zinc/60/62/98/652606298.db2.gz OKNLMEWRYVGGFQ-GHMZBOCLSA-N 1 0 375.416 2.488 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(F)cc1Br ZINC000667473100 652607005 /nfs/dbraw/zinc/60/70/05/652607005.db2.gz OQCSLADSGXCHEU-OPQQBVKSSA-N 1 0 384.249 2.031 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000667473074 652607088 /nfs/dbraw/zinc/60/70/88/652607088.db2.gz KPXLQSSNTUAKMS-OUJBWJOFSA-N 1 0 384.249 2.031 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)cc1Br ZINC000667504727 652608928 /nfs/dbraw/zinc/60/89/28/652608928.db2.gz IGBOJBRCBPACCM-NSHDSACASA-N 1 0 384.274 2.045 20 0 GEADRO Cn1ncc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1Br ZINC000760450654 652610210 /nfs/dbraw/zinc/61/02/10/652610210.db2.gz OAASWJKPILHARF-UHFFFAOYSA-N 1 0 399.333 2.147 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000592963767 652610331 /nfs/dbraw/zinc/61/03/31/652610331.db2.gz MGVQVTNSIGFIQG-AWEZNQCLSA-N 1 0 379.869 2.441 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000667519586 652610398 /nfs/dbraw/zinc/61/03/98/652610398.db2.gz SAZFITQVVCYXBG-CYBMUJFWSA-N 1 0 388.693 2.497 20 0 GEADRO C[NH+]1CCC(CNC(=S)NCCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000760467968 652610598 /nfs/dbraw/zinc/61/05/98/652610598.db2.gz PIBOAIZDNVASMV-UHFFFAOYSA-N 1 0 383.945 2.460 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000667523209 652610668 /nfs/dbraw/zinc/61/06/68/652610668.db2.gz ATZXHZMNNNVBPA-DTORHVGOSA-N 1 0 388.212 2.019 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1Br ZINC000667538808 652611127 /nfs/dbraw/zinc/61/11/27/652611127.db2.gz OBVGGIYHKNJTMC-CMPLNLGQSA-N 1 0 384.249 2.046 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667538454 652611146 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CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000667550853 652612828 /nfs/dbraw/zinc/61/28/28/652612828.db2.gz VMXRYOUZZXZXQA-WCQYABFASA-N 1 0 398.301 2.372 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C)c2F)CC[C@@H]1[NH3+] ZINC000667549895 652612960 /nfs/dbraw/zinc/61/29/60/652612960.db2.gz ARCJRUYFGUOHEK-PWSUYJOCSA-N 1 0 386.265 2.421 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000667584538 652614322 /nfs/dbraw/zinc/61/43/22/652614322.db2.gz QYQWLBBBEXNBJX-JQWIXIFHSA-N 1 0 392.656 2.199 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)n1 ZINC000667617670 652615472 /nfs/dbraw/zinc/61/54/72/652615472.db2.gz YWDFLAWBVULOEZ-UHFFFAOYSA-N 1 0 393.245 2.041 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000760595428 652617033 /nfs/dbraw/zinc/61/70/33/652617033.db2.gz DMCJHGSHROQKLV-UHFFFAOYSA-N 1 0 393.278 2.137 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000668022334 652625447 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Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3nn(C)cc3Br)C2)c1 ZINC000634277406 652635901 /nfs/dbraw/zinc/63/59/01/652635901.db2.gz MQZWZJRUTGMTHB-CQSZACIVSA-N 1 0 377.286 2.495 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1Br ZINC000634271628 652636137 /nfs/dbraw/zinc/63/61/37/652636137.db2.gz VDAOMVDDUINMIF-JKSUJKDBSA-N 1 0 398.345 2.350 20 0 GEADRO C[NH2+]CCC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299591 652636781 /nfs/dbraw/zinc/63/67/81/652636781.db2.gz VMRPPJHOMDETDL-UHFFFAOYSA-N 1 0 383.290 2.171 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1nn(C(C)(C)C)cc1Br ZINC000668308534 652637523 /nfs/dbraw/zinc/63/75/23/652637523.db2.gz DBZPYMKXNXDDEG-UHFFFAOYSA-N 1 0 375.311 2.051 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000668328810 652639030 /nfs/dbraw/zinc/63/90/30/652639030.db2.gz GODBSBNNAHBLNV-HNNXBMFYSA-N 1 0 382.302 2.181 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COc2ccc(I)cc2)C1 ZINC000594106333 652639922 /nfs/dbraw/zinc/63/99/22/652639922.db2.gz SXZOKRUFDCSTCM-BJHJDKERSA-N 1 0 388.249 2.126 20 0 GEADRO CCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000668365393 652640428 /nfs/dbraw/zinc/64/04/28/652640428.db2.gz IRLDJOIPZWFJIO-DOMZBBRYSA-N 1 0 382.302 2.179 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cncc(I)c1 ZINC000594195219 652642807 /nfs/dbraw/zinc/64/28/07/652642807.db2.gz DOKZRSSJDBMRNM-KGLIPLIRSA-N 1 0 385.249 2.433 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])c3ccccc32)s1 ZINC000634562834 652643928 /nfs/dbraw/zinc/64/39/28/652643928.db2.gz KSRINJUCPXTWPE-CYBMUJFWSA-N 1 0 379.507 2.026 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)CC2(O)CCOCC2)cc1Br ZINC000634640157 652645924 /nfs/dbraw/zinc/64/59/24/652645924.db2.gz VNWBSQIMVSWFPS-GXTWGEPZSA-N 1 0 388.302 2.401 20 0 GEADRO O[C@H](C[NH2+]CCc1ccc(F)c(Br)c1)CC1(O)CCOCC1 ZINC000634642707 652645942 /nfs/dbraw/zinc/64/59/42/652645942.db2.gz OZJSLGILMOMWIV-ZDUSSCGKSA-N 1 0 376.266 2.013 20 0 GEADRO CNc1cc(I)ccc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594401742 652647167 /nfs/dbraw/zinc/64/71/67/652647167.db2.gz GQWCLIRIDRGTQO-KLPPZKSPSA-N 1 0 387.265 2.403 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000668574732 652649045 /nfs/dbraw/zinc/64/90/45/652649045.db2.gz ZEQRHRXUOHIACW-LLVKDONJSA-N 1 0 388.331 2.116 20 0 GEADRO C[C@H](C[NH3+])NC(=O)Cc1cc(Br)cc(I)c1 ZINC000594439042 652650101 /nfs/dbraw/zinc/65/01/01/652650101.db2.gz NERKJZHLHCTWCO-SSDOTTSWSA-N 1 0 397.054 2.060 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1F ZINC000594448771 652651401 /nfs/dbraw/zinc/65/14/01/652651401.db2.gz PISYJIRRQANPKN-UHFFFAOYSA-N 1 0 392.880 2.228 20 0 GEADRO CN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668597323 652651650 /nfs/dbraw/zinc/65/16/50/652651650.db2.gz BAQUUZQFGGHEBX-LLVKDONJSA-N 1 0 379.258 2.340 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1F ZINC000594452812 652653549 /nfs/dbraw/zinc/65/35/49/652653549.db2.gz DDQXIPNUCMXXFB-ZWNOBZJWSA-N 1 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652656740 /nfs/dbraw/zinc/65/67/40/652656740.db2.gz XDMCOOITZXQLGY-DOMZBBRYSA-N 1 0 390.293 2.401 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634709513 652656749 /nfs/dbraw/zinc/65/67/49/652656749.db2.gz KCBGBUYYPBQHFK-AWEZNQCLSA-N 1 0 382.309 2.148 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1F ZINC000594463881 652657276 /nfs/dbraw/zinc/65/72/76/652657276.db2.gz KHEXRWDMIKFFPV-UHFFFAOYSA-N 1 0 392.880 2.418 20 0 GEADRO OCC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000634721914 652659070 /nfs/dbraw/zinc/65/90/70/652659070.db2.gz HBPRUTUUAGQJNA-JKSUJKDBSA-N 1 0 378.296 2.299 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000634725657 652659342 /nfs/dbraw/zinc/65/93/42/652659342.db2.gz ABTDJNPCWIVQIL-ZIAGYGMSSA-N 1 0 378.782 2.202 20 0 GEADRO CC(C)Oc1cc(NC[C@H](O)C[NH+]2CCN(C)CC2)ccc1Br ZINC000634726941 652660101 /nfs/dbraw/zinc/66/01/01/652660101.db2.gz GSNHAHIWSDPTRB-HNNXBMFYSA-N 1 0 386.334 2.257 20 0 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ZINC000641157743 653164024 /nfs/dbraw/zinc/16/40/24/653164024.db2.gz XVOSXCFNZOFQJV-LBPRGKRZSA-N 1 0 376.258 2.153 20 0 GEADRO C[C@@H]1C[NH+](C(C)(C)CNc2cc(Br)cnc2C(N)=O)C[C@@H](C)O1 ZINC000680330679 653164718 /nfs/dbraw/zinc/16/47/18/653164718.db2.gz QHOBDTHUJLRIJW-GHMZBOCLSA-N 1 0 385.306 2.243 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000806504803 653167146 /nfs/dbraw/zinc/16/71/46/653167146.db2.gz QONGXLSQCSHQMC-JKSUJKDBSA-N 1 0 396.329 2.363 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000680828615 653170058 /nfs/dbraw/zinc/17/00/58/653170058.db2.gz VZFDPABEBJALBJ-HNNXBMFYSA-N 1 0 391.693 2.054 20 0 GEADRO Brc1c2ccccc2oc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641207141 653170133 /nfs/dbraw/zinc/17/01/33/653170133.db2.gz OEEZUYLECSDXIZ-UHFFFAOYSA-N 1 0 390.285 2.283 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H](O)COc2ccc(Cl)c(Cl)c2)nn1)[C@H]1CCCO1 ZINC000641206339 653170354 /nfs/dbraw/zinc/17/03/54/653170354.db2.gz SUJIJBFCQFBWKR-AMKSKSKJSA-N 1 0 387.267 2.204 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000769682632 653170508 /nfs/dbraw/zinc/17/05/08/653170508.db2.gz AFGAVKOLDFWKOT-KBPBESRZSA-N 1 0 377.551 2.082 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000769682635 653170565 /nfs/dbraw/zinc/17/05/65/653170565.db2.gz AFGAVKOLDFWKOT-UONOGXRCSA-N 1 0 377.551 2.082 20 0 GEADRO C[N@H+](C[C@H](O)Cn1cc(COc2cccc(Br)c2)nn1)C1CC1 ZINC000641222006 653170882 /nfs/dbraw/zinc/17/08/82/653170882.db2.gz AHYSVQSIKPZCLL-HNNXBMFYSA-N 1 0 381.274 2.075 20 0 GEADRO CCC[C@H]([NH3+])c1cn(C[C@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641228281 653171263 /nfs/dbraw/zinc/17/12/63/653171263.db2.gz GCSMYVUCFLOOKG-JSGCOSHPSA-N 1 0 387.253 2.420 20 0 GEADRO CC(C)[C@@H]([NH3+])c1cn(C[C@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641229045 653171710 /nfs/dbraw/zinc/17/17/10/653171710.db2.gz PHPGDQIBYGYHOC-SWLSCSKDSA-N 1 0 387.253 2.275 20 0 GEADRO CC[C@@](C)([NH3+])c1cn(C[C@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641228573 653171770 /nfs/dbraw/zinc/17/17/70/653171770.db2.gz LVJOINLUPLWYIO-SWLSCSKDSA-N 1 0 387.253 2.204 20 0 GEADRO CC[C@](C)([NH3+])c1cn(C[C@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641228574 653171832 /nfs/dbraw/zinc/17/18/32/653171832.db2.gz LVJOINLUPLWYIO-WFASDCNBSA-N 1 0 387.253 2.204 20 0 GEADRO CC[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1OC ZINC000772948262 653173449 /nfs/dbraw/zinc/17/34/49/653173449.db2.gz VQMKQROOHUVJBC-HNNXBMFYSA-N 1 0 376.906 2.051 20 0 GEADRO C[N@H+](CCNC(=O)c1nccn2c(Br)cnc12)C1CCCCC1 ZINC000769735482 653174098 /nfs/dbraw/zinc/17/40/98/653174098.db2.gz UYZVDJKFONYQLH-UHFFFAOYSA-N 1 0 380.290 2.486 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CSC(C)(C)C)c1 ZINC000772958678 653174080 /nfs/dbraw/zinc/17/40/80/653174080.db2.gz JNXAUYMONIZPPW-STQMWFEESA-N 1 0 387.571 2.432 20 0 GEADRO COc1cc(CS(=O)(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)sn1 ZINC000641267732 653175676 /nfs/dbraw/zinc/17/56/76/653175676.db2.gz ZFSICTLNMZEYJA-UHFFFAOYSA-N 1 0 385.511 2.171 20 0 GEADRO COc1cc(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2F)sn1 ZINC000641286720 653178618 /nfs/dbraw/zinc/17/86/18/653178618.db2.gz HZXKUSJCIRCDOM-UHFFFAOYSA-N 1 0 387.502 2.184 20 0 GEADRO C[NH2+]CCNC(=O)c1cc(Br)cc(I)c1C ZINC000602429913 653179813 /nfs/dbraw/zinc/17/98/13/653179813.db2.gz ZTPVMEZNBSSYAG-UHFFFAOYSA-N 1 0 397.054 2.311 20 0 GEADRO COCCSc1ccc([C@H](C)NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)cc1 ZINC000602452230 653182257 /nfs/dbraw/zinc/18/22/57/653182257.db2.gz SPTQNJJFLAUNJT-HWRSSNJWSA-N 1 0 384.567 2.103 20 0 GEADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1nccn2c(Br)cnc12 ZINC000769859924 653182313 /nfs/dbraw/zinc/18/23/13/653182313.db2.gz UDUZCVROXWZGHH-UHFFFAOYSA-N 1 0 384.197 2.325 20 0 GEADRO Cc1nc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)ccc1Br ZINC000681469412 653182353 /nfs/dbraw/zinc/18/23/53/653182353.db2.gz DEPMSTVZOFHWPM-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO COC(=O)c1cc(NC(=O)[C@@]2(C[NH3+])CCCOC2)cc(Br)c1F ZINC000602507591 653186642 /nfs/dbraw/zinc/18/66/42/653186642.db2.gz OQBNPZCTSKKISU-OAHLLOKOSA-N 1 0 389.221 2.069 20 0 GEADRO COC(=O)c1cc(NC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)cc(Br)c1F ZINC000602505574 653186872 /nfs/dbraw/zinc/18/68/72/653186872.db2.gz FMJLUTWLLKIWKX-VFZGTOFNSA-N 1 0 389.221 2.080 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)[C@@H](C)C1 ZINC000641330070 653188140 /nfs/dbraw/zinc/18/81/40/653188140.db2.gz LPVWLXNFHZJNHU-SOUVJXGZSA-N 1 0 382.517 2.334 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)[C@@H](C)C1 ZINC000641330068 653188336 /nfs/dbraw/zinc/18/83/36/653188336.db2.gz LPVWLXNFHZJNHU-KKUMJFAQSA-N 1 0 382.517 2.334 20 0 GEADRO [NH3+]C[C@@]1(C(=O)Nc2ccc(I)cc2F)CCCOC1 ZINC000602529933 653188529 /nfs/dbraw/zinc/18/85/29/653188529.db2.gz QEPHGLKKYGGDQM-ZDUSSCGKSA-N 1 0 378.185 2.124 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000602530294 653188534 /nfs/dbraw/zinc/18/85/34/653188534.db2.gz YONCXJHQWGXAJK-KRTXAFLBSA-N 1 0 379.201 2.185 20 0 GEADRO O[C@H](C[NH2+]Cc1ccns1)COc1ccc(I)cc1 ZINC000602536029 653188884 /nfs/dbraw/zinc/18/88/84/653188884.db2.gz WAVXSDSNOOHUJW-LLVKDONJSA-N 1 0 390.246 2.277 20 0 GEADRO C[S@](=O)C1(C(=O)N2CC3(CC3)c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000602537840 653189553 /nfs/dbraw/zinc/18/95/53/653189553.db2.gz BETUQMRDRMEDRI-QHCPKHFHSA-N 1 0 397.338 2.328 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(I)cc1Cl ZINC000602547434 653190318 /nfs/dbraw/zinc/19/03/18/653190318.db2.gz YPEZXBRHUYAHKI-UHFFFAOYSA-N 1 0 396.656 2.253 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)c2cc(F)c(F)cc2I)C[NH2+]1 ZINC000602554024 653190663 /nfs/dbraw/zinc/19/06/63/653190663.db2.gz MDWYTZJOAZJJLO-YUMQZZPRSA-N 1 0 380.176 2.440 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)c1ncnc(C(F)(F)F)c1Br ZINC000641371128 653194206 /nfs/dbraw/zinc/19/42/06/653194206.db2.gz ZYKBKTPBKPJILS-UHFFFAOYSA-N 1 0 396.255 2.332 20 0 GEADRO COC(=O)[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000602623007 653195726 /nfs/dbraw/zinc/19/57/26/653195726.db2.gz LDHBWNGTYLWPKY-MRXNPFEDSA-N 1 0 399.329 2.488 20 0 GEADRO Cc1ccc([C@](O)(CC(=O)NC[C@]2([NH+](C)C)CCSC2)C(F)(F)F)o1 ZINC000773421193 653198415 /nfs/dbraw/zinc/19/84/15/653198415.db2.gz NANVGKYGGJVJAU-HUUCEWRRSA-N 1 0 380.432 2.282 20 0 GEADRO CO[C@H](C[NH2+]CCOc1ccc(I)cc1)[C@@H]1CCOC1 ZINC000602658004 653198770 /nfs/dbraw/zinc/19/87/70/653198770.db2.gz GWWLICXLLVGCHB-IUODEOHRSA-N 1 0 391.249 2.311 20 0 GEADRO CO[C@@H](C[NH2+]CCOc1ccc(I)cc1)[C@@H]1CCOC1 ZINC000602658003 653198801 /nfs/dbraw/zinc/19/88/01/653198801.db2.gz GWWLICXLLVGCHB-DOMZBBRYSA-N 1 0 391.249 2.311 20 0 GEADRO CS(=O)(=O)Nc1cccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000681987851 653201215 /nfs/dbraw/zinc/20/12/15/653201215.db2.gz PSJHSZWCPINRLF-UHFFFAOYSA-N 1 0 379.448 2.422 20 0 GEADRO O=C(COC(=O)c1nccs1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000773498776 653202124 /nfs/dbraw/zinc/20/21/24/653202124.db2.gz UCFOIEWYAATZDG-UHFFFAOYSA-N 1 0 377.491 2.487 20 0 GEADRO CSC1(C[NH+]2CCN(c3ncc(I)cn3)CC2)CC1 ZINC000602734378 653203464 /nfs/dbraw/zinc/20/34/64/653203464.db2.gz QSVRNAJRFNASOK-UHFFFAOYSA-N 1 0 390.294 2.099 20 0 GEADRO COc1cc(CS(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000641426335 653204295 /nfs/dbraw/zinc/20/42/95/653204295.db2.gz PMNWIYKVJPCUCR-CJNGLKHVSA-N 1 0 381.523 2.092 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000682033677 653204270 /nfs/dbraw/zinc/20/42/70/653204270.db2.gz HSINUCFVDMEFIG-OAHLLOKOSA-N 1 0 383.286 2.067 20 0 GEADRO COc1cc(CS(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000641426334 653204396 /nfs/dbraw/zinc/20/43/96/653204396.db2.gz PMNWIYKVJPCUCR-BBRMVZONSA-N 1 0 381.523 2.092 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccnc1I ZINC000807776746 653204608 /nfs/dbraw/zinc/20/46/08/653204608.db2.gz GOYMQZSDNNFVNM-WCQYABFASA-N 1 0 385.249 2.385 20 0 GEADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000773535676 653205036 /nfs/dbraw/zinc/20/50/36/653205036.db2.gz VTVIRIUUFBHXJQ-KGLIPLIRSA-N 1 0 376.551 2.283 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NCc1ccccn1 ZINC000770264158 653205675 /nfs/dbraw/zinc/20/56/75/653205675.db2.gz HQIQMYUBIHTNFZ-UHFFFAOYSA-N 1 0 393.285 2.303 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000773550856 653205688 /nfs/dbraw/zinc/20/56/88/653205688.db2.gz MROLZHLUUBAWCY-UHFFFAOYSA-N 1 0 379.258 2.390 20 0 GEADRO CC1(C)C[N@H+](CCC(=O)Nc2cccc(Br)c2)CCN1CCO ZINC000682038794 653205903 /nfs/dbraw/zinc/20/59/03/653205903.db2.gz SITPUFISWMLFTB-UHFFFAOYSA-N 1 0 384.318 2.166 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2ccc(F)cc2I)CC1 ZINC000773553254 653205858 /nfs/dbraw/zinc/20/58/58/653205858.db2.gz XYGGEOPBHVQFKQ-UHFFFAOYSA-N 1 0 378.185 2.186 20 0 GEADRO COc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1Br ZINC000682352914 653208316 /nfs/dbraw/zinc/20/83/16/653208316.db2.gz RLSNQEAKANJSDM-CYBMUJFWSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000641474851 653210554 /nfs/dbraw/zinc/21/05/54/653210554.db2.gz NBBBHDQPHRKBGE-HQJQHLMTSA-N 1 0 384.196 2.148 20 0 GEADRO COc1cc(CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)sn1 ZINC000641495328 653214016 /nfs/dbraw/zinc/21/40/16/653214016.db2.gz DXCWXFQALUSJNR-XJKSGUPXSA-N 1 0 381.523 2.234 20 0 GEADRO C[C@]12C[N@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC000602937139 653216327 /nfs/dbraw/zinc/21/63/27/653216327.db2.gz RAFJZHZBBWHTBW-DXMSMQRWSA-N 1 0 389.304 2.086 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000682690224 653221395 /nfs/dbraw/zinc/22/13/95/653221395.db2.gz ODCPAKIQIGMJOE-APHBMKBZSA-N 1 0 394.313 2.401 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000808222421 653223025 /nfs/dbraw/zinc/22/30/25/653223025.db2.gz GHUAQUQSDHSLDP-WBMJQRKESA-N 1 0 386.279 2.059 20 0 GEADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc(N)n1 ZINC000630823323 653223909 /nfs/dbraw/zinc/22/39/09/653223909.db2.gz IFTXPFNSVPPJMG-UHFFFAOYSA-N 1 0 385.299 2.148 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000774101137 653224362 /nfs/dbraw/zinc/22/43/62/653224362.db2.gz NHZDSJLNQABFHP-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000774099164 653224447 /nfs/dbraw/zinc/22/44/47/653224447.db2.gz GTUSNYIJOHNGPQ-WCQYABFASA-N 1 0 397.317 2.328 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000641625793 653224765 /nfs/dbraw/zinc/22/47/65/653224765.db2.gz XJLFGMVRMXNNKK-NWDGAFQWSA-N 1 0 382.452 2.180 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000774182158 653228189 /nfs/dbraw/zinc/22/81/89/653228189.db2.gz WIXYLLQZNHSYGS-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(c2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000683188204 653230202 /nfs/dbraw/zinc/23/02/02/653230202.db2.gz QYVPIFPJINEGRV-SNVBAGLBSA-N 1 0 394.310 2.202 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)c(Br)n1 ZINC000774240576 653230607 /nfs/dbraw/zinc/23/06/07/653230607.db2.gz LEUGCGUAYUBPBL-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC([NH+](C)C)C2)c1 ZINC000774273614 653232008 /nfs/dbraw/zinc/23/20/08/653232008.db2.gz OGOXEVGDAVYBSQ-UHFFFAOYSA-N 1 0 387.933 2.191 20 0 GEADRO Cc1cnc(N[C@@H]2CCCN(CCN3CCOCC3)C2)c(Br)c1 ZINC000641717981 653232121 /nfs/dbraw/zinc/23/21/21/653232121.db2.gz JIFIGCFTWBQNLM-OAHLLOKOSA-N 1 0 383.334 2.361 20 0 GEADRO C[N@H+](CC(=O)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)[C@@H]1CCSC1 ZINC000641739756 653232594 /nfs/dbraw/zinc/23/25/94/653232594.db2.gz JKXIPYHRULKCFW-FMKPAKJESA-N 1 0 376.444 2.074 20 0 GEADRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000641748339 653232950 /nfs/dbraw/zinc/23/29/50/653232950.db2.gz QRGHSLLFIOQOSZ-XDSYMSCESA-N 1 0 385.302 2.379 20 0 GEADRO Oc1ccc(Br)c(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000641787516 653233843 /nfs/dbraw/zinc/23/38/43/653233843.db2.gz CGZAFLBKYZOTEB-INIZCTEOSA-N 1 0 398.345 2.041 20 0 GEADRO Brc1ccccc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641789326 653234363 /nfs/dbraw/zinc/23/43/63/653234363.db2.gz BIKSSZBLLMKBHS-QGZVFWFLSA-N 1 0 382.346 2.335 20 0 GEADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2c(C)nn(C)c2Cl)CC1 ZINC000808776600 653235111 /nfs/dbraw/zinc/23/51/11/653235111.db2.gz YAUVCBKYVVDIGM-ZDUSSCGKSA-N 1 0 376.954 2.264 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000642000308 653236749 /nfs/dbraw/zinc/23/67/49/653236749.db2.gz GRMMXNDIVLCLGP-BBRMVZONSA-N 1 0 394.313 2.403 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000641999688 653236763 /nfs/dbraw/zinc/23/67/63/653236763.db2.gz FISGXGDGHRLDJU-CQSZACIVSA-N 1 0 394.313 2.404 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)NCc1cc(Br)ccc1C)C(C)C ZINC000808892005 653236788 /nfs/dbraw/zinc/23/67/88/653236788.db2.gz LXDORMIUXNTWEN-UHFFFAOYSA-N 1 0 384.318 2.220 20 0 GEADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000642012854 653236812 /nfs/dbraw/zinc/23/68/12/653236812.db2.gz WNBGFYOFKJBLGY-OAHLLOKOSA-N 1 0 382.302 2.111 20 0 GEADRO C[C@H](CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)[NH+](C)C ZINC000642152270 653238269 /nfs/dbraw/zinc/23/82/69/653238269.db2.gz CJLDBXZOKWVMOM-LLVKDONJSA-N 1 0 376.507 2.253 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000809235968 653257469 /nfs/dbraw/zinc/25/74/69/653257469.db2.gz SXYXODMNOGKCBF-LBPRGKRZSA-N 1 0 395.305 2.275 20 0 GEADRO C[C@@H]1CN(C(=O)NCC[C@@H]2CC2(Cl)Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000856946593 653259207 /nfs/dbraw/zinc/25/92/07/653259207.db2.gz NBDNBQRWPYMHGL-KFWWJZLASA-N 1 0 377.360 2.238 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000874121496 653265617 /nfs/dbraw/zinc/26/56/17/653265617.db2.gz ZHSYFCIZJQKDRH-UHFFFAOYSA-N 1 0 383.290 2.162 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000856986308 653266234 /nfs/dbraw/zinc/26/62/34/653266234.db2.gz QSBAHBPHENWUSR-ZDUSSCGKSA-N 1 0 394.273 2.456 20 0 GEADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3csc(C(F)(F)F)n3)CC2)CC1 ZINC000684477347 653266506 /nfs/dbraw/zinc/26/65/06/653266506.db2.gz AOSNEJUCCBZSEL-TXEJJXNPSA-N 1 0 376.448 2.450 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)nc1Cl ZINC000774905960 653267126 /nfs/dbraw/zinc/26/71/26/653267126.db2.gz KPZADGOPISGVTN-HNNXBMFYSA-N 1 0 382.917 2.262 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000684482600 653267618 /nfs/dbraw/zinc/26/76/18/653267618.db2.gz QZGOBNXYJWNDLI-STQMWFEESA-N 1 0 387.293 2.434 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2ccc(Br)cc2F)[C@H](C)C1 ZINC000684482436 653267693 /nfs/dbraw/zinc/26/76/93/653267693.db2.gz QZGOBNXYJWNDLI-CHWSQXEVSA-N 1 0 387.293 2.434 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000684527553 653270888 /nfs/dbraw/zinc/27/08/88/653270888.db2.gz SRVQNSRTKZMVFW-UHFFFAOYSA-N 1 0 383.271 2.272 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000684530228 653272451 /nfs/dbraw/zinc/27/24/51/653272451.db2.gz OVHPZYNHEVFIKU-IIYDPXPESA-N 1 0 394.313 2.321 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000684576390 653277972 /nfs/dbraw/zinc/27/79/72/653277972.db2.gz QTNMQEIZRRLLNJ-LBPRGKRZSA-N 1 0 389.315 2.220 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000874170353 653278412 /nfs/dbraw/zinc/27/84/12/653278412.db2.gz UKQPQXXGUOFPFL-QMTHXVAHSA-N 1 0 384.249 2.079 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000809530541 653279581 /nfs/dbraw/zinc/27/95/81/653279581.db2.gz VSEDQACCNCJFNF-OAGGEKHMSA-N 1 0 387.615 2.063 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000809530542 653279695 /nfs/dbraw/zinc/27/96/95/653279695.db2.gz VSEDQACCNCJFNF-OWCLPIDISA-N 1 0 387.615 2.063 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3F)CC[C@H]21 ZINC000874174683 653280681 /nfs/dbraw/zinc/28/06/81/653280681.db2.gz QREAZWBYWREHHV-GXFFZTMASA-N 1 0 384.249 2.079 20 0 GEADRO COC[C@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)C ZINC000684677276 653287997 /nfs/dbraw/zinc/28/79/97/653287997.db2.gz UAMWSYHXSMMRBD-GWCFXTLKSA-N 1 0 379.320 2.418 20 0 GEADRO C[C@H](O)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000809660625 653288205 /nfs/dbraw/zinc/28/82/05/653288205.db2.gz LCYASCFIZHXPHV-VIFPVBQESA-N 1 0 393.893 2.057 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cnc2ccccn12)c1ccccc1Cl ZINC000684929538 653290254 /nfs/dbraw/zinc/29/02/54/653290254.db2.gz AYELRLVWJKQKNI-UHFFFAOYSA-N 1 0 378.885 2.446 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN(CC[NH+](C)C)CC(C)C ZINC000809729252 653292578 /nfs/dbraw/zinc/29/25/78/653292578.db2.gz BZGGSAZMZHVLMH-OAHLLOKOSA-N 1 0 390.981 2.224 20 0 GEADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ncc(CN(C)C)s2)CC1 ZINC000809786198 653295504 /nfs/dbraw/zinc/29/55/04/653295504.db2.gz SWAMCESLLVXDSB-AWEZNQCLSA-N 1 0 388.603 2.087 20 0 GEADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)C1 ZINC000775168436 653298301 /nfs/dbraw/zinc/29/83/01/653298301.db2.gz YTZHWHSMOIRVHF-BPLDGKMQSA-N 1 0 384.307 2.248 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)c1ccco1 ZINC000775170078 653299701 /nfs/dbraw/zinc/29/97/01/653299701.db2.gz UJACDSAGVFMHME-NEPJUHHUSA-N 1 0 376.284 2.089 20 0 GEADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000775182978 653301900 /nfs/dbraw/zinc/30/19/00/653301900.db2.gz NFEWAMVVIZGDFI-GXTWGEPZSA-N 1 0 376.328 2.210 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000775199070 653303766 /nfs/dbraw/zinc/30/37/66/653303766.db2.gz VIBSRNDELWAXMC-MCIONIFRSA-N 1 0 378.344 2.171 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000685515930 653304165 /nfs/dbraw/zinc/30/41/65/653304165.db2.gz QOADEVIZJKRFTF-OLZOCXBDSA-N 1 0 375.560 2.344 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](CCO)C[C@H](C)O ZINC000685589664 653305821 /nfs/dbraw/zinc/30/58/21/653305821.db2.gz DJWOHCLUULCVRM-AWEZNQCLSA-N 1 0 387.318 2.460 20 0 GEADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)C2(Br)CC2)c1 ZINC000874327564 653308341 /nfs/dbraw/zinc/30/83/41/653308341.db2.gz GYEIRCJRTLJADF-UHFFFAOYSA-N 1 0 385.302 2.187 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715106544 653324962 /nfs/dbraw/zinc/32/49/62/653324962.db2.gz ASYYYNWFLMSAAD-OCAPTIKFSA-N 1 0 394.640 2.420 20 0 GEADRO CC[C@@H]1CN(CC)CCN1C(=O)C(=O)Nc1ccc(Br)nc1C ZINC000835898764 653312531 /nfs/dbraw/zinc/31/25/31/653312531.db2.gz OQHITJXMXUVDJL-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1cccc(Br)c1F ZINC000874364774 653312922 /nfs/dbraw/zinc/31/29/22/653312922.db2.gz ATZSGERFPCUIGG-CHWSQXEVSA-N 1 0 384.249 2.222 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(Br)c1 ZINC000874365075 653312968 /nfs/dbraw/zinc/31/29/68/653312968.db2.gz PQGSTHVTLKJVPW-CABCVRRESA-N 1 0 396.285 2.091 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(Br)c1 ZINC000874365081 653313081 /nfs/dbraw/zinc/31/30/81/653313081.db2.gz PQGSTHVTLKJVPW-LSDHHAIUSA-N 1 0 396.285 2.091 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000874364125 653313214 /nfs/dbraw/zinc/31/32/14/653313214.db2.gz FFLDLTJSKGFODH-UONOGXRCSA-N 1 0 384.249 2.222 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000874364126 653313349 /nfs/dbraw/zinc/31/33/49/653313349.db2.gz FFLDLTJSKGFODH-ZIAGYGMSSA-N 1 0 384.249 2.222 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874367859 653313905 /nfs/dbraw/zinc/31/39/05/653313905.db2.gz ZSZHBBULBRCMQA-HUUCEWRRSA-N 1 0 380.286 2.391 20 0 GEADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccc1Br ZINC000874368793 653314171 /nfs/dbraw/zinc/31/41/71/653314171.db2.gz QNSNNISYPKGRBE-ZIAGYGMSSA-N 1 0 396.285 2.091 20 0 GEADRO Cn1nnc(Br)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000809950899 653314920 /nfs/dbraw/zinc/31/49/20/653314920.db2.gz RAUOJTNAUDBQIS-SNVBAGLBSA-N 1 0 384.303 2.206 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000685869006 653315462 /nfs/dbraw/zinc/31/54/62/653315462.db2.gz MIGJVSAYZINIFD-NSHDSACASA-N 1 0 390.347 2.477 20 0 GEADRO C[C@@](O)(C[NH2+][C@@H](CO)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000810032234 653317976 /nfs/dbraw/zinc/31/79/76/653317976.db2.gz JAGOTGYKEOKBJT-ZWKOTPCHSA-N 1 0 383.897 2.274 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)Oc1ccccc1I ZINC000810041382 653318509 /nfs/dbraw/zinc/31/85/09/653318509.db2.gz WXDODQGSMWCCLM-UHFFFAOYSA-N 1 0 383.251 2.342 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000810043757 653318573 /nfs/dbraw/zinc/31/85/73/653318573.db2.gz DWNRRFKCPUEUSC-OAHLLOKOSA-N 1 0 377.551 2.037 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000700757338 653318612 /nfs/dbraw/zinc/31/86/12/653318612.db2.gz YVBMOSBGIMIHLH-OIBJUYFYSA-N 1 0 383.695 2.140 20 0 GEADRO CCn1ncc(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1Br ZINC000874444289 653318798 /nfs/dbraw/zinc/31/87/98/653318798.db2.gz VLSKDMKMQPUIBJ-UHFFFAOYSA-N 1 0 387.322 2.285 20 0 GEADRO O[C@@]1(CNc2ncnc(F)c2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000702592450 653319380 /nfs/dbraw/zinc/31/93/80/653319380.db2.gz YMMNWIQAKBMERP-MRXNPFEDSA-N 1 0 381.249 2.427 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000702631386 653319912 /nfs/dbraw/zinc/31/99/12/653319912.db2.gz ADZGBIILIIMLIT-APPZFPTMSA-N 1 0 383.695 2.221 20 0 GEADRO COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775636045 653320467 /nfs/dbraw/zinc/32/04/67/653320467.db2.gz ADUIVNMATNMZJL-DZGCQCFKSA-N 1 0 378.238 2.179 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000810075027 653321055 /nfs/dbraw/zinc/32/10/55/653321055.db2.gz DDEMJLRIBGBSBM-CABCVRRESA-N 1 0 377.551 2.036 20 0 GEADRO Cc1ccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c(Br)c1 ZINC000713322688 653323638 /nfs/dbraw/zinc/32/36/38/653323638.db2.gz GMXQYIQLPSRFCG-UHFFFAOYSA-N 1 0 375.210 2.269 20 0 GEADRO Cn1cc(CNC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)c(Br)n1 ZINC000712448773 653323929 /nfs/dbraw/zinc/32/39/29/653323929.db2.gz HTGUHCLSEUESEF-KRWDZBQOSA-N 1 0 392.345 2.088 20 0 GEADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)C[C@H](O)c1cccc(Br)c1 ZINC000810117837 653327232 /nfs/dbraw/zinc/32/72/32/653327232.db2.gz VRECJXDSLQPSCI-INIZCTEOSA-N 1 0 399.310 2.262 20 0 GEADRO O[C@@H](CN1CCO[C@H](c2ccc(F)c(Br)c2)C1)C[NH+]1CCCC1 ZINC000775734271 653327357 /nfs/dbraw/zinc/32/73/57/653327357.db2.gz TVCXLBHXKCSREE-PBHICJAKSA-N 1 0 387.293 2.418 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000810121349 653327553 /nfs/dbraw/zinc/32/75/53/653327553.db2.gz VLMQFLKCSNFAEC-ZDUSSCGKSA-N 1 0 389.949 2.441 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)nc1 ZINC000810241113 653332350 /nfs/dbraw/zinc/33/23/50/653332350.db2.gz NBHZAYUUMMDUEY-DGCLKSJQSA-N 1 0 376.320 2.309 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000836124740 653332476 /nfs/dbraw/zinc/33/24/76/653332476.db2.gz BGCNMZPWLSSQGT-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3c(Br)nnn3C)C2)CC1 ZINC000810274007 653332791 /nfs/dbraw/zinc/33/27/91/653332791.db2.gz BCRNDNGJOHHNRE-CYBMUJFWSA-N 1 0 384.322 2.162 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000776052350 653336797 /nfs/dbraw/zinc/33/67/97/653336797.db2.gz IIELXEJJEANUJH-CYBMUJFWSA-N 1 0 383.290 2.339 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000874824594 653337925 /nfs/dbraw/zinc/33/79/25/653337925.db2.gz VJVKWGMBVABBMX-HUUCEWRRSA-N 1 0 391.269 2.218 20 0 GEADRO Cn1cnc(C(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)n1 ZINC000857881176 653341784 /nfs/dbraw/zinc/34/17/84/653341784.db2.gz RMAHZEIREBBCRC-ZDUSSCGKSA-N 1 0 378.274 2.101 20 0 GEADRO O=C(NC[C@H](O)c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000836278003 653342257 /nfs/dbraw/zinc/34/22/57/653342257.db2.gz FHCMWRLZBTVLKL-PMPSAXMXSA-N 1 0 382.302 2.409 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836279781 653342771 /nfs/dbraw/zinc/34/27/71/653342771.db2.gz WGIMBEIYKWYVMS-INIZCTEOSA-N 1 0 377.360 2.428 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000836291528 653342983 /nfs/dbraw/zinc/34/29/83/653342983.db2.gz UBDJHTIKJNRKOG-MRXNPFEDSA-N 1 0 393.359 2.202 20 0 GEADRO O=C(NC[C@H](O)c1ccccc1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000836316678 653344266 /nfs/dbraw/zinc/34/42/66/653344266.db2.gz UGQPLFYTLNJWRO-CJNGLKHVSA-N 1 0 382.302 2.266 20 0 GEADRO CN(C(=O)c1cc(Br)c2ncc(C=O)n2c1)C1CC[NH+](C)CC1 ZINC000858093798 653347887 /nfs/dbraw/zinc/34/78/87/653347887.db2.gz HJLNDVSBIMNCMM-UHFFFAOYSA-N 1 0 379.258 2.076 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000875034350 653348411 /nfs/dbraw/zinc/34/84/11/653348411.db2.gz KJEGJVCUWXXHPH-UHFFFAOYSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2ncc(Cl)s2)C1 ZINC000875065810 653349844 /nfs/dbraw/zinc/34/98/44/653349844.db2.gz ISCHVBAHHJHPHF-STQMWFEESA-N 1 0 386.949 2.287 20 0 GEADRO Cn1nnc(Br)c1C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000810666394 653351557 /nfs/dbraw/zinc/35/15/57/653351557.db2.gz MOPLSPJPDDTNKG-CYBMUJFWSA-N 1 0 379.258 2.399 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2ncc(Cl)s2)C1 ZINC000875121881 653353124 /nfs/dbraw/zinc/35/31/24/653353124.db2.gz GVIDAWNYWDIVEK-RYUDHWBXSA-N 1 0 386.949 2.285 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000875133544 653354083 /nfs/dbraw/zinc/35/40/83/653354083.db2.gz LLFWQEKRNYDIJU-XJKSGUPXSA-N 1 0 384.307 2.205 20 0 GEADRO O=Cc1cc(Br)cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000858196819 653354616 /nfs/dbraw/zinc/35/46/16/653354616.db2.gz ZEZAGUXMLOBUDR-UHFFFAOYSA-N 1 0 394.313 2.115 20 0 GEADRO CN(C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(Br)cn1 ZINC000875183202 653356644 /nfs/dbraw/zinc/35/66/44/653356644.db2.gz HUGDBRRTBQVQSN-CABCVRRESA-N 1 0 392.301 2.276 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000875226882 653359724 /nfs/dbraw/zinc/35/97/24/653359724.db2.gz ZRZXWACQDLCLKG-VXGBXAGGSA-N 1 0 377.432 2.372 20 0 GEADRO CN(CC(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)c1ccc(Br)o1 ZINC000810852215 653361738 /nfs/dbraw/zinc/36/17/38/653361738.db2.gz VXPBSWPYBGSQMY-RYUDHWBXSA-N 1 0 385.258 2.284 20 0 GEADRO C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1cc(F)c(Br)cc1F ZINC000858408016 653362856 /nfs/dbraw/zinc/36/28/56/653362856.db2.gz PCQXWKKWQZBPDP-MRVPVSSYSA-N 1 0 383.258 2.269 20 0 GEADRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000858588541 653368480 /nfs/dbraw/zinc/36/84/80/653368480.db2.gz JAKLKAFMAFFZNW-RKDXNWHRSA-N 1 0 380.201 2.489 20 0 GEADRO CON(C)C(=O)[C@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000858579207 653368611 /nfs/dbraw/zinc/36/86/11/653368611.db2.gz ONZFJNJBFPPRSW-ZDUSSCGKSA-N 1 0 384.318 2.411 20 0 GEADRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858607649 653369419 /nfs/dbraw/zinc/36/94/19/653369419.db2.gz BCXAFTHFAJSSCT-CQSZACIVSA-N 1 0 381.420 2.229 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000858612814 653369876 /nfs/dbraw/zinc/36/98/76/653369876.db2.gz FYILOGFAMOZWKI-INIZCTEOSA-N 1 0 387.889 2.283 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000858615356 653370576 /nfs/dbraw/zinc/37/05/76/653370576.db2.gz SRTQLLLPVMRHDI-GHMZBOCLSA-N 1 0 375.878 2.124 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c(C)c1Cl ZINC000858619633 653371215 /nfs/dbraw/zinc/37/12/15/653371215.db2.gz OQPIVMFDGJMEDO-SECBINFHSA-N 1 0 378.903 2.059 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)C2=Cc3ccccc3OC2)CC[C@H]1C(F)(F)F ZINC000858623461 653371487 /nfs/dbraw/zinc/37/14/87/653371487.db2.gz JKGGNNAHIJXHOW-TZMCWYRMSA-N 1 0 376.400 2.209 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)C2=Cc3ccccc3OC2)CC[C@@H]1C(F)(F)F ZINC000858623460 653371595 /nfs/dbraw/zinc/37/15/95/653371595.db2.gz JKGGNNAHIJXHOW-OCCSQVGLSA-N 1 0 376.400 2.209 20 0 GEADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000858641145 653372761 /nfs/dbraw/zinc/37/27/61/653372761.db2.gz BDTKEHUQKVFCFO-ZETCQYMHSA-N 1 0 375.210 2.436 20 0 GEADRO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000776701177 653372818 /nfs/dbraw/zinc/37/28/18/653372818.db2.gz QOXMYLJLNIICAL-UHFFFAOYSA-N 1 0 392.352 2.396 20 0 GEADRO CN(C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)n1 ZINC000875561750 653377490 /nfs/dbraw/zinc/37/74/90/653377490.db2.gz SHBPOFQVXDBDNB-UONOGXRCSA-N 1 0 392.301 2.276 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCc2ccsc2Br)C1 ZINC000875563630 653377532 /nfs/dbraw/zinc/37/75/32/653377532.db2.gz DROABVGJTTXUCZ-NSHDSACASA-N 1 0 376.320 2.155 20 0 GEADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1I ZINC000776812390 653378993 /nfs/dbraw/zinc/37/89/93/653378993.db2.gz IOSXRMHLUDLVBH-CABCVRRESA-N 1 0 391.249 2.201 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c2ccsc2S1(=O)=O ZINC000875609568 653379757 /nfs/dbraw/zinc/37/97/57/653379757.db2.gz LJFRCGGRPMLSEW-NZBPQXDJSA-N 1 0 383.539 2.091 20 0 GEADRO 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GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc(Br)c(SC)c1 ZINC000876847330 653451029 /nfs/dbraw/zinc/45/10/29/653451029.db2.gz IGHKBPHVJFTXBN-GFCCVEGCSA-N 1 0 387.299 2.148 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1Br ZINC000876867016 653451517 /nfs/dbraw/zinc/45/15/17/653451517.db2.gz ONENIKFPASYSIP-KGLIPLIRSA-N 1 0 385.306 2.195 20 0 GEADRO COC[C@@]1(C(=O)N(C)Cc2ccc(Br)cc2Cl)C[NH2+]CCO1 ZINC000876898663 653452970 /nfs/dbraw/zinc/45/29/70/653452970.db2.gz OXBFXNRGPQHOQN-OAHLLOKOSA-N 1 0 391.693 2.066 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000876913591 653453925 /nfs/dbraw/zinc/45/39/25/653453925.db2.gz JGUGWYIEYYZQDY-SFHVURJKSA-N 1 0 386.945 2.128 20 0 GEADRO CCn1ncc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1Br ZINC000876920744 653454495 /nfs/dbraw/zinc/45/44/95/653454495.db2.gz BEAHGIMBDVFFQE-OCCSQVGLSA-N 1 0 385.306 2.024 20 0 GEADRO CC(C)n1ncc(C(=O)NCCCCCC[NH3+])c1I ZINC000876937829 653455058 /nfs/dbraw/zinc/45/50/58/653455058.db2.gz FAMOCZYQOQQGRN-UHFFFAOYSA-N 1 0 378.258 2.318 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Br)c1 ZINC000876934651 653455066 /nfs/dbraw/zinc/45/50/66/653455066.db2.gz HZDDJCALFKTIDV-HZPDHXFCSA-N 1 0 394.313 2.417 20 0 GEADRO COC(=O)[C@@H](NC(=O)CCC12CC(C1)C[NH2+]2)c1ccccc1Br ZINC000876965107 653456632 /nfs/dbraw/zinc/45/66/32/653456632.db2.gz BEUXMYXGPDYKRF-XNYLIXPXSA-N 1 0 381.270 2.312 20 0 GEADRO O[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)COc1cccc(F)c1 ZINC000876965316 653456782 /nfs/dbraw/zinc/45/67/82/653456782.db2.gz BDSSZLNVRNSQLM-AWEZNQCLSA-N 1 0 395.232 2.160 20 0 GEADRO COC(=O)[C@H](NC(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000876965594 653456922 /nfs/dbraw/zinc/45/69/22/653456922.db2.gz ISTMJIPSVYUSTR-VCLABDTGSA-N 1 0 381.270 2.335 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1(F)F ZINC000876969104 653457432 /nfs/dbraw/zinc/45/74/32/653457432.db2.gz WQKUQLRFPKRBDI-FRRDWIJNSA-N 1 0 375.213 2.189 20 0 GEADRO CN1CC[C@H]([NH2+]CCS(C)(=O)=O)C[C@@H]1c1ccc(Br)cc1 ZINC000876976213 653457473 /nfs/dbraw/zinc/45/74/73/653457473.db2.gz LOIPAUSBGMAFBF-LSDHHAIUSA-N 1 0 375.332 2.219 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000876972200 653457519 /nfs/dbraw/zinc/45/75/19/653457519.db2.gz IFUAYIGFWRDDLA-GFCCVEGCSA-N 1 0 382.309 2.148 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1Br ZINC000877003343 653459160 /nfs/dbraw/zinc/45/91/60/653459160.db2.gz REXALLOMVOTBGT-GFCCVEGCSA-N 1 0 379.258 2.240 20 0 GEADRO ClC1(Cl)C[C@@H]1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000877009816 653459886 /nfs/dbraw/zinc/45/98/86/653459886.db2.gz BDHNWANOVSAURK-KGLIPLIRSA-N 1 0 386.327 2.065 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)c(Br)c1 ZINC000877029131 653461300 /nfs/dbraw/zinc/46/13/00/653461300.db2.gz SIOPYABTCPJEET-SNVBAGLBSA-N 1 0 378.288 2.149 20 0 GEADRO Clc1ccc2sc(C[NH2+][C@@H]3CCN(CCN4CCOCC4)C3)cc2n1 ZINC000877031036 653461948 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O=C(Cc1cc2c(cc1Br)OCCO2)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877277572 653474446 /nfs/dbraw/zinc/47/44/46/653474446.db2.gz NMIFHOCXKOCVEC-UONOGXRCSA-N 1 0 381.270 2.116 20 0 GEADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285511 653474828 /nfs/dbraw/zinc/47/48/28/653474828.db2.gz UUTWYUMODCQPFY-CABCVRRESA-N 1 0 398.276 2.061 20 0 GEADRO CO[C@H](C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000877328141 653475982 /nfs/dbraw/zinc/47/59/82/653475982.db2.gz HPQOVYWPUVVTFY-CJNGLKHVSA-N 1 0 397.313 2.412 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cn3ccnc23)C[C@@H]1C(F)(F)F ZINC000877352501 653477330 /nfs/dbraw/zinc/47/73/30/653477330.db2.gz GXPSDBNPLNDFJW-KCJUWKMLSA-N 1 0 391.191 2.306 20 0 GEADRO O=C(COc1ccc(Br)cc1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877336250 653477506 /nfs/dbraw/zinc/47/75/06/653477506.db2.gz IFKMCYUOTCENNY-OAHLLOKOSA-N 1 0 383.286 2.103 20 0 GEADRO C[C@@H](CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)n1cc(Br)cn1 ZINC000877340176 653477580 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Cc1csc([C@@](O)(CC(=O)NCC2(C)CC[NH+](C)CC2)C(F)(F)F)n1 ZINC000780767777 653632010 /nfs/dbraw/zinc/63/20/10/653632010.db2.gz XNVLCJVDECNUAG-HNNXBMFYSA-N 1 0 379.448 2.440 20 0 GEADRO O=C1CCCN1C[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccccc1 ZINC000878350016 653635554 /nfs/dbraw/zinc/63/55/54/653635554.db2.gz IZUIZCKLOKSDPJ-UONOGXRCSA-N 1 0 394.269 2.424 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)NC[C@@H](C)[NH+]2CCCCC2)cs1)C(N)=O ZINC000878353387 653635587 /nfs/dbraw/zinc/63/55/87/653635587.db2.gz XNKQUNBUIJBFOC-TZMCWYRMSA-N 1 0 384.571 2.032 20 0 GEADRO CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)CC1 ZINC000878461125 653638013 /nfs/dbraw/zinc/63/80/13/653638013.db2.gz FMKPWDHGCIIZMV-JQWIXIFHSA-N 1 0 390.278 2.317 20 0 GEADRO O=C1Nc2ccccc2[C@]12CC[N@@H+](C[C@H](O)c1cc(Br)no1)C2 ZINC000878463024 653638062 /nfs/dbraw/zinc/63/80/62/653638062.db2.gz SPVYFTXORSHLRU-BLLLJJGKSA-N 1 0 378.226 2.066 20 0 GEADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CC(C)(C)O ZINC000878498737 653638988 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383.905 2.278 20 0 GEADRO C[C@H](Sc1nc(CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cs1)C(N)=O ZINC000878866429 653649910 /nfs/dbraw/zinc/64/99/10/653649910.db2.gz BQUAOFLEMCYSTL-WCQYABFASA-N 1 0 386.587 2.134 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839454696 653649957 /nfs/dbraw/zinc/64/99/57/653649957.db2.gz ALHLLCGQGWCITR-UHFFFAOYSA-N 1 0 376.404 2.234 20 0 GEADRO O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)C(=O)Nc1cnsn1 ZINC000839459138 653650150 /nfs/dbraw/zinc/65/01/50/653650150.db2.gz KSBPQZVONSFYOU-CYBMUJFWSA-N 1 0 379.873 2.083 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CCN(C)C1 ZINC000781917776 653651893 /nfs/dbraw/zinc/65/18/93/653651893.db2.gz HWOKWUDHVOVIGC-CQSZACIVSA-N 1 0 385.302 2.493 20 0 GEADRO OC[C@]1([NH2+]C[C@H](O)CC2(O)CCCC2)CCc2cc(Br)ccc2C1 ZINC000879034351 653655907 /nfs/dbraw/zinc/65/59/07/653655907.db2.gz AUSCWZGMKGJENC-MSOLQXFVSA-N 1 0 398.341 2.315 20 0 GEADRO O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)OCC[NH+]1CCC1 ZINC000861385237 653656346 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O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)c1ccc(Br)s1 ZINC000839704476 653660840 /nfs/dbraw/zinc/66/08/40/653660840.db2.gz YBSQWCWMSWWKSU-LLVKDONJSA-N 1 0 387.299 2.063 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000861543242 653661273 /nfs/dbraw/zinc/66/12/73/653661273.db2.gz ZBSQEHBJEKGUTC-SSDOTTSWSA-N 1 0 398.179 2.092 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000861543790 653661302 /nfs/dbraw/zinc/66/13/02/653661302.db2.gz DPYVFLMTNSZFLE-GZMMTYOYSA-N 1 0 379.766 2.086 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)NCCc1ccc(Br)cc1F ZINC000861574794 653661930 /nfs/dbraw/zinc/66/19/30/653661930.db2.gz ZHMDYINKMCGESV-UHFFFAOYSA-N 1 0 376.270 2.008 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1sccc1C(N)=O ZINC000782502345 653662984 /nfs/dbraw/zinc/66/29/84/653662984.db2.gz WVSWLZOGRLMFRJ-MSMXYLSWSA-N 1 0 379.507 2.262 20 0 GEADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000815684774 653663124 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2.074 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c(Br)cnn1C ZINC000879495161 653670841 /nfs/dbraw/zinc/67/08/41/653670841.db2.gz CBGWOQLTCBRVLI-BBRMVZONSA-N 1 0 391.313 2.362 20 0 GEADRO COc1ccc([C@@H]2CN(C[C@@H](O)c3cc(Br)no3)CC[NH2+]2)cc1 ZINC000879522713 653671398 /nfs/dbraw/zinc/67/13/98/653671398.db2.gz KXRSEGSQZFPYME-UONOGXRCSA-N 1 0 382.258 2.126 20 0 GEADRO COc1cccc([C@H]2CN(C[C@@H](O)c3cc(Br)no3)CC[NH2+]2)c1 ZINC000879523497 653671441 /nfs/dbraw/zinc/67/14/41/653671441.db2.gz ZCYMDOFSRTVWKG-ZIAGYGMSSA-N 1 0 382.258 2.126 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000879544532 653672141 /nfs/dbraw/zinc/67/21/41/653672141.db2.gz GUNJYTUBMSDIGS-HPFXQQBRSA-N 1 0 381.314 2.154 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3cccc(I)c3)CC[C@@H]21 ZINC000879575019 653673294 /nfs/dbraw/zinc/67/32/94/653673294.db2.gz ICVBPYFOJWIBRL-DOMZBBRYSA-N 1 0 399.276 2.256 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3cccc(I)c3)CC[C@@H]21 ZINC000879575022 653673348 /nfs/dbraw/zinc/67/33/48/653673348.db2.gz ICVBPYFOJWIBRL-WFASDCNBSA-N 1 0 399.276 2.256 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2cccnc2Br)cc1 ZINC000783023990 653673878 /nfs/dbraw/zinc/67/38/78/653673878.db2.gz KBQWOUYCYQEYGA-UHFFFAOYSA-N 1 0 377.242 2.483 20 0 GEADRO O[C@@H]1CCC[C@@H]1[C@H]1CCCCN1Cn1cc(I)cn1 ZINC000840115356 653674875 /nfs/dbraw/zinc/67/48/75/653674875.db2.gz KQLCDIULPRGUFM-MGPQQGTHSA-N 1 0 375.254 2.461 20 0 GEADRO O[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1Cn1nc(N2CCOCC2)sc1=S ZINC000840115726 653675007 /nfs/dbraw/zinc/67/50/07/653675007.db2.gz NIXXAQBMNIYCES-QLFBSQMISA-N 1 0 384.571 2.484 20 0 GEADRO C[C@@H]1CN(Cn2ncn(-c3cccc(Cl)c3)c2=S)C[C@H](C)[N@H+]1CCO ZINC000840136212 653676007 /nfs/dbraw/zinc/67/60/07/653676007.db2.gz ZBVZMDQMCIDSEJ-OKILXGFUSA-N 1 0 381.933 2.401 20 0 GEADRO COC[C@@H]([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1cccc(Br)c1 ZINC000879663706 653678031 /nfs/dbraw/zinc/67/80/31/653678031.db2.gz QOERVINECFATSV-AEFFLSMTSA-N 1 0 393.281 2.099 20 0 GEADRO CN(C)C(=O)[C@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000840174317 653678392 /nfs/dbraw/zinc/67/83/92/653678392.db2.gz LAYRNNPTCOGAKD-LBPRGKRZSA-N 1 0 378.270 2.132 20 0 GEADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000862279988 653682744 /nfs/dbraw/zinc/68/27/44/653682744.db2.gz XIDKREFIHJILDV-GFCCVEGCSA-N 1 0 384.489 2.434 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2nc(Br)sc2C2CC2)C1 ZINC000816361864 653683237 /nfs/dbraw/zinc/68/32/37/653683237.db2.gz ZTCBHTRSZBIFMH-OAHLLOKOSA-N 1 0 388.331 2.312 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)C1(S(C)(=O)=O)CC1 ZINC000862365690 653684635 /nfs/dbraw/zinc/68/46/35/653684635.db2.gz WRKKHPUYAITYJV-VXGBXAGGSA-N 1 0 382.473 2.186 20 0 GEADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]CCC(C)(C)S(C)(=O)=O)COC1(C)C ZINC000862395688 653685272 /nfs/dbraw/zinc/68/52/72/653685272.db2.gz XMTOFQPEEHVTFU-CYBMUJFWSA-N 1 0 378.535 2.161 20 0 GEADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000840455402 653686084 /nfs/dbraw/zinc/68/60/84/653686084.db2.gz ZNENZJCWNAHRIA-ZDUSSCGKSA-N 1 0 379.810 2.259 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Cl)ncc1Br ZINC000840452497 653686100 /nfs/dbraw/zinc/68/61/00/653686100.db2.gz HXRBNWUEJWULKX-JTQLQIEISA-N 1 0 376.682 2.074 20 0 GEADRO Cn1nnnc1C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000879916590 653686939 /nfs/dbraw/zinc/68/69/39/653686939.db2.gz PBRVHFKWLFMUQL-UHFFFAOYSA-N 1 0 384.253 2.370 20 0 GEADRO Cn1nnnc1C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000879915723 653687058 /nfs/dbraw/zinc/68/70/58/653687058.db2.gz PFLBEFHHBUIGHV-CYBMUJFWSA-N 1 0 386.283 2.136 20 0 GEADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)nc1Br ZINC000816681572 653690355 /nfs/dbraw/zinc/69/03/55/653690355.db2.gz ALKGUDMORBGPHY-GFCCVEGCSA-N 1 0 398.301 2.178 20 0 GEADRO C[C@]12CN(CCn3cnc(Br)n3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880022664 653692566 /nfs/dbraw/zinc/69/25/66/653692566.db2.gz VZFFCVIUOAYIEE-FUHWJXTLSA-N 1 0 390.329 2.495 20 0 GEADRO COc1cc(C2SCCS2)ccc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000840752751 653692915 /nfs/dbraw/zinc/69/29/15/653692915.db2.gz IBEIZYCPHHFSEX-HNNXBMFYSA-N 1 0 384.567 2.161 20 0 GEADRO C[NH+]1CCC(NC(=S)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000840768163 653693356 /nfs/dbraw/zinc/69/33/56/653693356.db2.gz TWJNEFUYJOUBFJ-UHFFFAOYSA-N 1 0 389.974 2.062 20 0 GEADRO O=C1NC2(CO1)CC[NH+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000784453985 653694709 /nfs/dbraw/zinc/69/47/09/653694709.db2.gz KSJXJKNKHKJFEW-GFCCVEGCSA-N 1 0 375.252 2.308 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)ccc1Cl ZINC000862790123 653695179 /nfs/dbraw/zinc/69/51/79/653695179.db2.gz PCDTWZMRNKCTLH-CYBMUJFWSA-N 1 0 387.933 2.052 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCCCCCS(N)(=O)=O)C1 ZINC000816897561 653695337 /nfs/dbraw/zinc/69/53/37/653695337.db2.gz HOUJWJKUPCIHOF-HZPDHXFCSA-N 1 0 375.579 2.098 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000840818529 653695369 /nfs/dbraw/zinc/69/53/69/653695369.db2.gz IMAOLSXLFXOZDO-IRWJRLHMSA-N 1 0 386.539 2.251 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000862793707 653695466 /nfs/dbraw/zinc/69/54/66/653695466.db2.gz ADDLVGUATNEROH-GFCCVEGCSA-N 1 0 393.285 2.371 20 0 GEADRO CC(C)N1C(=S)N=NC1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000816919263 653695682 /nfs/dbraw/zinc/69/56/82/653695682.db2.gz GSKZCFNRFMQEKR-CQSZACIVSA-N 1 0 383.587 2.024 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)cn1 ZINC000816937385 653696318 /nfs/dbraw/zinc/69/63/18/653696318.db2.gz BYNIITBWIXELPK-CYBMUJFWSA-N 1 0 385.917 2.087 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)CN3C(=S)N=NC3c3ccc(Cl)cc3)[C@H]2C1 ZINC000816951428 653697062 /nfs/dbraw/zinc/69/70/62/653697062.db2.gz OGRHGNMHAIPPJA-OCCSQVGLSA-N 1 0 377.901 2.050 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cnn(-c4ccccc4)c3Br)[C@@H]2C1 ZINC000816950248 653697096 /nfs/dbraw/zinc/69/70/96/653697096.db2.gz OLAFFOFFPMVAOO-IUODEOHRSA-N 1 0 375.270 2.411 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1 ZINC000816957689 653697306 /nfs/dbraw/zinc/69/73/06/653697306.db2.gz SQWDNGRMIIILLB-UHFFFAOYSA-N 1 0 387.933 2.333 20 0 GEADRO CC[C@H](CO)[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000784608127 653697374 /nfs/dbraw/zinc/69/73/74/653697374.db2.gz VYAWLBATGSZBCI-CYBMUJFWSA-N 1 0 396.372 2.446 20 0 GEADRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000840882563 653697508 /nfs/dbraw/zinc/69/75/08/653697508.db2.gz PKELNDUAUYFTDP-OAHLLOKOSA-N 1 0 399.310 2.228 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1ccccc1I ZINC000880133269 653698607 /nfs/dbraw/zinc/69/86/07/653698607.db2.gz HUKMROVHCSRIQS-CABCVRRESA-N 1 0 399.276 2.398 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000784721114 653698636 /nfs/dbraw/zinc/69/86/36/653698636.db2.gz GWVAIMKAPLYOKS-LLVKDONJSA-N 1 0 381.420 2.196 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000840897885 653699742 /nfs/dbraw/zinc/69/97/42/653699742.db2.gz HDBNLYDPGJFMTP-GFCCVEGCSA-N 1 0 389.905 2.086 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000784820624 653699844 /nfs/dbraw/zinc/69/98/44/653699844.db2.gz BPQFXNJZNWMPSQ-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C3OCCO3)cc2)cc1Cl ZINC000840898437 653699930 /nfs/dbraw/zinc/69/99/30/653699930.db2.gz JAZOHYNGBIFLDD-UHFFFAOYSA-N 1 0 382.869 2.323 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1Cl ZINC000840906860 653700319 /nfs/dbraw/zinc/70/03/19/653700319.db2.gz JNSUNMBXLQPVAE-DYEKYZERSA-N 1 0 378.972 2.457 20 0 GEADRO Cc1ncc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)s1 ZINC000840907711 653700373 /nfs/dbraw/zinc/70/03/73/653700373.db2.gz PZEWWRBXGMWGEX-UHFFFAOYSA-N 1 0 390.328 2.194 20 0 GEADRO Cc1cccc(NCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 ZINC000840906134 653700438 /nfs/dbraw/zinc/70/04/38/653700438.db2.gz VGWZHOHMNRLEQS-UHFFFAOYSA-N 1 0 399.314 2.002 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CSCCS2)cc1Br ZINC000840904469 653700450 /nfs/dbraw/zinc/70/04/50/653700450.db2.gz JOCKFSADTFZQSY-JTQLQIEISA-N 1 0 397.385 2.035 20 0 GEADRO C[C@H](O)c1cn(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000863037450 653700694 /nfs/dbraw/zinc/70/06/94/653700694.db2.gz KPFZTLHKJHJFQD-BONVTDFDSA-N 1 0 386.283 2.057 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2ncccc2Br)CC1 ZINC000880253071 653701855 /nfs/dbraw/zinc/70/18/55/653701855.db2.gz ISZRTHFWZHPYGU-UHFFFAOYSA-N 1 0 381.318 2.150 20 0 GEADRO C[C@@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)s2)CCN1c1cc[nH+]cc1 ZINC000880259619 653702106 /nfs/dbraw/zinc/70/21/06/653702106.db2.gz XGQPLJDSITXSPK-CQSZACIVSA-N 1 0 380.539 2.104 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)ccc1Br ZINC000840951858 653703440 /nfs/dbraw/zinc/70/34/40/653703440.db2.gz DWIYIUBRBCGBNA-GJZGRUSLSA-N 1 0 389.315 2.413 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(Cl)cc1Cl ZINC000817149704 653704355 /nfs/dbraw/zinc/70/43/55/653704355.db2.gz GLVIRSRHMQVABJ-SNVBAGLBSA-N 1 0 395.308 2.495 20 0 GEADRO CN(C)C(=O)CNC(=S)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863230624 653704403 /nfs/dbraw/zinc/70/44/03/653704403.db2.gz LNRIOPRNLLLBON-CYBMUJFWSA-N 1 0 377.341 2.148 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccccc3I)C2)nn1 ZINC000841099773 653706372 /nfs/dbraw/zinc/70/63/72/653706372.db2.gz ORZILROUVATKGW-AWEZNQCLSA-N 1 0 397.264 2.179 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000785299591 653706906 /nfs/dbraw/zinc/70/69/06/653706906.db2.gz QMKXVMKDDLAPIZ-TXEJJXNPSA-N 1 0 381.885 2.079 20 0 GEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841132267 653707052 /nfs/dbraw/zinc/70/70/52/653707052.db2.gz ARGOQEXRYYBISK-CYBMUJFWSA-N 1 0 389.905 2.027 20 0 GEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000841132075 653707114 /nfs/dbraw/zinc/70/71/14/653707114.db2.gz RNBSNLIVANTFMI-YPMHNXCESA-N 1 0 389.905 2.012 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000841134007 653707227 /nfs/dbraw/zinc/70/72/27/653707227.db2.gz RSSCMZKBTZLSST-CYBMUJFWSA-N 1 0 391.921 2.402 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841148165 653707852 /nfs/dbraw/zinc/70/78/52/653707852.db2.gz KTGUSJHQDJQXJD-OAHLLOKOSA-N 1 0 376.254 2.361 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000785384402 653708018 /nfs/dbraw/zinc/70/80/18/653708018.db2.gz DJYXUUBAUNRTMP-LBPRGKRZSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000841155613 653708250 /nfs/dbraw/zinc/70/82/50/653708250.db2.gz TZFIHNHBDRVFPS-UHFFFAOYSA-N 1 0 383.290 2.259 20 0 GEADRO Cc1c(NC(=O)C(=O)NCCC[NH2+]C(C)C)cnc(Cl)c1Br ZINC000841169473 653708822 /nfs/dbraw/zinc/70/88/22/653708822.db2.gz RVMOGSIFLUHDCR-UHFFFAOYSA-N 1 0 391.697 2.249 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000841174844 653709171 /nfs/dbraw/zinc/70/91/71/653709171.db2.gz ALWGFEBLMAKRIM-GFCCVEGCSA-N 1 0 383.290 2.115 20 0 GEADRO CON1CCC([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000817384983 653709721 /nfs/dbraw/zinc/70/97/21/653709721.db2.gz FVYZPJYYPJMOLG-MRXNPFEDSA-N 1 0 382.302 2.478 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000841191026 653709865 /nfs/dbraw/zinc/70/98/65/653709865.db2.gz IOPJBIHLHLLLRW-UHFFFAOYSA-N 1 0 391.697 2.378 20 0 GEADRO COc1cc(Br)ccc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000880630358 653710075 /nfs/dbraw/zinc/71/00/75/653710075.db2.gz AUCVKOKKUDJIQN-GFCCVEGCSA-N 1 0 385.306 2.215 20 0 GEADRO Nc1c(Cl)cc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Cl ZINC000841201208 653710431 /nfs/dbraw/zinc/71/04/31/653710431.db2.gz DQLFSDUCQWJBNP-NSHDSACASA-N 1 0 388.299 2.427 20 0 GEADRO CN1CCN(C(=O)Nc2cc3ccccc3nc2Br)[C@@H](C[NH3+])C1 ZINC000841216653 653710722 /nfs/dbraw/zinc/71/07/22/653710722.db2.gz ZNNCVSPJMHDRHM-LBPRGKRZSA-N 1 0 378.274 2.104 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cs1)C(N)=O ZINC000880658653 653710856 /nfs/dbraw/zinc/71/08/56/653710856.db2.gz MHOOSXUWGFOVJG-CHWSQXEVSA-N 1 0 384.571 2.031 20 0 GEADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cc(Br)nn1C ZINC000785508743 653710898 /nfs/dbraw/zinc/71/08/98/653710898.db2.gz HFOTWPAMQDGTLS-LLVKDONJSA-N 1 0 376.258 2.071 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(S(C)(=O)=O)s3)cc2)CC1 ZINC000817423259 653711142 /nfs/dbraw/zinc/71/11/42/653711142.db2.gz DJJBQXDMVILIKY-UHFFFAOYSA-N 1 0 379.507 2.156 20 0 GEADRO CSC1(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)CC[NH+](C)CC1 ZINC000841237089 653711889 /nfs/dbraw/zinc/71/18/89/653711889.db2.gz HVMPUWZXDQFJRK-UHFFFAOYSA-N 1 0 392.493 2.240 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@H](C)CCCC[NH3+])cnc(Cl)c1Br ZINC000841246116 653712229 /nfs/dbraw/zinc/71/22/29/653712229.db2.gz GURLAKCXLYWFRD-MRVPVSSYSA-N 1 0 391.697 2.378 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2s1 ZINC000841248897 653712240 /nfs/dbraw/zinc/71/22/40/653712240.db2.gz HZTXGNAJEZKKRW-CMPLNLGQSA-N 1 0 376.507 2.167 20 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CCNS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000819043671 653741449 /nfs/dbraw/zinc/74/14/49/653741449.db2.gz TYDDSUGDQOWJBI-CQSZACIVSA-N 1 0 392.949 2.040 20 0 GEADRO CS(=O)(=O)CCN1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819045995 653741485 /nfs/dbraw/zinc/74/14/85/653741485.db2.gz ASNCTOFQOFZHTH-INIZCTEOSA-N 1 0 395.352 2.125 20 0 GEADRO CC(C)(C)[S@](=O)CC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000819055108 653741705 /nfs/dbraw/zinc/74/17/05/653741705.db2.gz CIRMILFEEWZEOA-LRTDBIEQSA-N 1 0 378.332 2.326 20 0 GEADRO CN1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+](C)C3)cc2Br)CC1 ZINC000787669624 653741824 /nfs/dbraw/zinc/74/18/24/653741824.db2.gz ZVQUKYZXASYVAZ-CYBMUJFWSA-N 1 0 381.318 2.091 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2cnn(C(C)C)c2I)CC1 ZINC000864609930 653742194 /nfs/dbraw/zinc/74/21/94/653742194.db2.gz IIKIPGYSPTXMJT-UHFFFAOYSA-N 1 0 390.269 2.283 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000864609354 653742201 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C[C@H]1C[NH+](CCCCNc2ccc3nnc(Br)n3n2)C[C@H](C)O1 ZINC000882074772 653760843 /nfs/dbraw/zinc/76/08/43/653760843.db2.gz FOANXGANZRDNFX-RYUDHWBXSA-N 1 0 383.294 2.188 20 0 GEADRO Cc1nnc(SCC(=O)NC2CC[NH+](C)CC2)n1CCc1cccs1 ZINC000865355604 653762307 /nfs/dbraw/zinc/76/23/07/653762307.db2.gz PAQCUQVZELZIKL-UHFFFAOYSA-N 1 0 379.555 2.193 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2nc3ncccc3s2)C1 ZINC000865373926 653762939 /nfs/dbraw/zinc/76/29/39/653762939.db2.gz KNORTTZVLOZLSR-CYBMUJFWSA-N 1 0 380.539 2.256 20 0 GEADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ncc(Br)cn1 ZINC000819973951 653763830 /nfs/dbraw/zinc/76/38/30/653763830.db2.gz NVTYUVZRGSCGFY-CQSZACIVSA-N 1 0 377.242 2.058 20 0 GEADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ncc(Br)cn1 ZINC000819973950 653763974 /nfs/dbraw/zinc/76/39/74/653763974.db2.gz NVTYUVZRGSCGFY-AWEZNQCLSA-N 1 0 377.242 2.058 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)C[C@@H](C)n2cc(Br)cn2)C1 ZINC000842717417 653764433 /nfs/dbraw/zinc/76/44/33/653764433.db2.gz UHZGFMYTNVDXFB-HIFRSBDPSA-N 1 0 388.306 2.497 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(C)c1Cl ZINC000842720923 653764536 /nfs/dbraw/zinc/76/45/36/653764536.db2.gz BYPPDFCWARWXDY-PSASIEDQSA-N 1 0 380.919 2.244 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2nccc(C)c2Br)CC1 ZINC000865413735 653764638 /nfs/dbraw/zinc/76/46/38/653764638.db2.gz VPXQXPYSQKLJGQ-UHFFFAOYSA-N 1 0 390.347 2.446 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000842727212 653764875 /nfs/dbraw/zinc/76/48/75/653764875.db2.gz VXAQTQDTFLBRMM-ZJUUUORDSA-N 1 0 395.294 2.345 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1Cl ZINC000842727358 653764955 /nfs/dbraw/zinc/76/49/55/653764955.db2.gz XISNHAIIVJDHNS-NXEZZACHSA-N 1 0 380.919 2.244 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000842743273 653765561 /nfs/dbraw/zinc/76/55/61/653765561.db2.gz CCFIWECSSVOJDL-SNVBAGLBSA-N 1 0 383.283 2.393 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000842740048 653765578 /nfs/dbraw/zinc/76/55/78/653765578.db2.gz LTLHPRPGYWDMKW-CYBMUJFWSA-N 1 0 381.420 2.181 20 0 GEADRO C[C@H](CNc1ccc(Br)cc1S(N)(=O)=O)C[NH+]1CCCC1 ZINC000865452473 653765762 /nfs/dbraw/zinc/76/57/62/653765762.db2.gz JYIVDMLMDYDQBC-LLVKDONJSA-N 1 0 376.320 2.240 20 0 GEADRO CCN(OC)C(=O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000842769654 653766490 /nfs/dbraw/zinc/76/64/90/653766490.db2.gz RDILWLWGOMKOKI-UHFFFAOYSA-N 1 0 384.318 2.413 20 0 GEADRO CC(C)[NH2+]C1CCN(c2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865502873 653766988 /nfs/dbraw/zinc/76/69/88/653766988.db2.gz OSMJOEOOYXNVMH-UHFFFAOYSA-N 1 0 376.320 2.063 20 0 GEADRO CCOC1CC(CC[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000788968771 653767570 /nfs/dbraw/zinc/76/75/70/653767570.db2.gz AWOVZOWPNYZUSV-SLTAFYQDSA-N 1 0 389.949 2.499 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(Cl)cc1Cl ZINC000842790871 653767599 /nfs/dbraw/zinc/76/75/99/653767599.db2.gz NZUNKOFFRNYQCJ-BDAKNGLRSA-N 1 0 381.281 2.138 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)NC3CC4(CC([NH3+])C4)C3)cc21 ZINC000842796228 653767833 /nfs/dbraw/zinc/76/78/33/653767833.db2.gz AEVFZRLMPORXLZ-UHFFFAOYSA-N 1 0 398.326 2.489 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)CC[C@H]1[NH3+] ZINC000842797876 653768034 /nfs/dbraw/zinc/76/80/34/653768034.db2.gz MJBHKWNULSXVSY-XHDPSFHLSA-N 1 0 389.315 2.400 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000842814080 653769278 /nfs/dbraw/zinc/76/92/78/653769278.db2.gz DZWPFHFVLHZMJG-SCZZXKLOSA-N 1 0 381.267 2.016 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC000882208116 653769505 /nfs/dbraw/zinc/76/95/05/653769505.db2.gz GOWBQYHNZIRRDP-CYBMUJFWSA-N 1 0 387.373 2.333 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2cnn(C(C)C)c2I)CC1 ZINC000865620331 653770178 /nfs/dbraw/zinc/77/01/78/653770178.db2.gz VAJZLDYSAGSVHT-UHFFFAOYSA-N 1 0 390.269 2.236 20 0 GEADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000842851317 653770486 /nfs/dbraw/zinc/77/04/86/653770486.db2.gz FNXSSTAVOWQELF-MFNCVGGLSA-N 1 0 397.850 2.066 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cnn(Cc4ccccc4)c3Br)[C@H]2C1 ZINC000820273422 653770655 /nfs/dbraw/zinc/77/06/55/653770655.db2.gz UJUCCPRNNOKEOK-ZBFHGGJFSA-N 1 0 389.297 2.470 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c(C)c1Cl ZINC000842859671 653770798 /nfs/dbraw/zinc/77/07/98/653770798.db2.gz KZHCRWRSTFEYBN-JTQLQIEISA-N 1 0 380.919 2.389 20 0 GEADRO COc1cc(Br)c(CN[C@H]2CC[N@H+](CC(C)(C)O)C2)c(OC)c1 ZINC000865659544 653771212 /nfs/dbraw/zinc/77/12/12/653771212.db2.gz POFDPHFEFWELGU-LBPRGKRZSA-N 1 0 387.318 2.401 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(c3ccc(CO)c(Br)n3)CC2)CC1 ZINC000865677260 653771886 /nfs/dbraw/zinc/77/18/86/653771886.db2.gz UYZWOUMFOQTDCS-UHFFFAOYSA-N 1 0 397.361 2.190 20 0 GEADRO O=C1[C@@H](N2CC[NH+](CCCCO)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000789346910 653771937 /nfs/dbraw/zinc/77/19/37/653771937.db2.gz FETAZDWLMDKVLU-KRWDZBQOSA-N 1 0 386.323 2.489 20 0 GEADRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000789343387 653771945 /nfs/dbraw/zinc/77/19/45/653771945.db2.gz XSYODJDXKSMRBJ-BLLLJJGKSA-N 1 0 375.282 2.274 20 0 GEADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)cccc21 ZINC000789353342 653772150 /nfs/dbraw/zinc/77/21/50/653772150.db2.gz RVWIIDLTDQARRF-GXFFZTMASA-N 1 0 386.279 2.320 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc21 ZINC000842892515 653772342 /nfs/dbraw/zinc/77/23/42/653772342.db2.gz FYRSRSKXPWZXJX-KGLIPLIRSA-N 1 0 382.913 2.479 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)n1C ZINC000865715683 653772650 /nfs/dbraw/zinc/77/26/50/653772650.db2.gz XQTFHARMVAFWEC-KRWDZBQOSA-N 1 0 381.318 2.332 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)C2)C1 ZINC000820341932 653772811 /nfs/dbraw/zinc/77/28/11/653772811.db2.gz IBLIJBPFHHMYOT-KSSFIOAISA-N 1 0 392.297 2.429 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H]2CCCS2)cc1Br ZINC000865725979 653773003 /nfs/dbraw/zinc/77/30/03/653773003.db2.gz RUHUMHYYFGTAPJ-NSHDSACASA-N 1 0 379.345 2.472 20 0 GEADRO C[NH+](C)[C@H]1CCCN(c2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865727833 653773044 /nfs/dbraw/zinc/77/30/44/653773044.db2.gz IZCKZPYBCPTKLX-LBPRGKRZSA-N 1 0 376.320 2.017 20 0 GEADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000865748784 653773765 /nfs/dbraw/zinc/77/37/65/653773765.db2.gz CLVLMJWVDMBOOV-OAHLLOKOSA-N 1 0 384.307 2.461 20 0 GEADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000865773041 653774699 /nfs/dbraw/zinc/77/46/99/653774699.db2.gz ZXCUJTIEWVQRIL-QGZVFWFLSA-N 1 0 386.876 2.210 20 0 GEADRO C[C@H](C[NH2+]Cc1cc(Br)nn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000865782948 653774804 /nfs/dbraw/zinc/77/48/04/653774804.db2.gz IAWIZXVXWCPLHW-LLVKDONJSA-N 1 0 386.315 2.479 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(F)cncc1Br ZINC000865788869 653774973 /nfs/dbraw/zinc/77/49/73/653774973.db2.gz HRXPVOGCQRFYPE-LBPRGKRZSA-N 1 0 386.265 2.356 20 0 GEADRO C/C(=C/c1ccc(Br)o1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000865801818 653775420 /nfs/dbraw/zinc/77/54/20/653775420.db2.gz DCFYXGGWDJKWHP-ODUNQGDFSA-N 1 0 384.318 2.445 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)c1cccc(Br)c1 ZINC000865843197 653776885 /nfs/dbraw/zinc/77/68/85/653776885.db2.gz KRUPULBLTMLOFP-QGZVFWFLSA-N 1 0 394.313 2.323 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)c1F ZINC000789561598 653777362 /nfs/dbraw/zinc/77/73/62/653777362.db2.gz DOBRKFUWQONCLI-JTQLQIEISA-N 1 0 386.265 2.436 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000843041449 653777895 /nfs/dbraw/zinc/77/78/95/653777895.db2.gz YTROTOXOPUXAAS-WDEREUQCSA-N 1 0 377.894 2.011 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000843049658 653778003 /nfs/dbraw/zinc/77/80/03/653778003.db2.gz QDRLUXRHTDRUHS-ZJUUUORDSA-N 1 0 379.258 2.178 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865876541 653778449 /nfs/dbraw/zinc/77/84/49/653778449.db2.gz QFQVTPFCYCBQFG-HOCLYGCPSA-N 1 0 389.949 2.235 20 0 GEADRO OCCCN1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843089307 653778928 /nfs/dbraw/zinc/77/89/28/653778928.db2.gz QFFPVCJSIGTNQH-BBRMVZONSA-N 1 0 375.282 2.058 20 0 GEADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000843092868 653778944 /nfs/dbraw/zinc/77/89/44/653778944.db2.gz LTTHHKCPJZCKAH-DLBZAZTESA-N 1 0 387.860 2.239 20 0 GEADRO COc1ccc([C@@H](CNC(=O)c2cc(Br)no2)[NH+](C)C)cc1OC ZINC000865893571 653778978 /nfs/dbraw/zinc/77/89/78/653778978.db2.gz HXIXITQQTOWABL-LLVKDONJSA-N 1 0 398.257 2.487 20 0 GEADRO Cn1cc([C@H](O)C[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)cn1 ZINC000843091142 653778993 /nfs/dbraw/zinc/77/89/93/653778993.db2.gz GSIZKKCYATXWNK-CABCVRRESA-N 1 0 388.693 2.367 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000865895133 653779155 /nfs/dbraw/zinc/77/91/55/653779155.db2.gz RIEWCBHXXUSOJM-RHSMWYFYSA-N 1 0 396.329 2.427 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C1 ZINC000882384283 653779343 /nfs/dbraw/zinc/77/93/43/653779343.db2.gz OYCSFLFHIGEWTD-QKFKETGDSA-N 1 0 379.592 2.372 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C2 ZINC000843111186 653779720 /nfs/dbraw/zinc/77/97/20/653779720.db2.gz DSBRMPGUOVEFQA-CRAIPNDOSA-N 1 0 394.313 2.127 20 0 GEADRO OC[C@@H](CN1CCCCC1)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843112266 653779829 /nfs/dbraw/zinc/77/98/29/653779829.db2.gz FJOSYRQCZFVGPV-CJNGLKHVSA-N 1 0 375.282 2.058 20 0 GEADRO C[C@](O)(C[NH2+][C@H](CO)CN1CCCC1)c1ccc(Br)cc1Cl ZINC000843117905 653779985 /nfs/dbraw/zinc/77/99/85/653779985.db2.gz VEFOWJINYWHXDB-BBRMVZONSA-N 1 0 391.737 2.356 20 0 GEADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@@H]1O)COc1cccc(Br)c1 ZINC000843115847 653779999 /nfs/dbraw/zinc/77/99/99/653779999.db2.gz JYDQHVPJSPAABX-SKDZVZGDSA-N 1 0 394.265 2.273 20 0 GEADRO CCn1ncc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000820674099 653780044 /nfs/dbraw/zinc/78/00/44/653780044.db2.gz PXGLCBVDMNDWLX-BETUJISGSA-N 1 0 387.322 2.285 20 0 GEADRO CCn1ncc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000820674102 653780098 /nfs/dbraw/zinc/78/00/98/653780098.db2.gz PXGLCBVDMNDWLX-STQMWFEESA-N 1 0 387.322 2.285 20 0 GEADRO O=C1c2ccc(Br)cc2C(=O)N1Cc1nc(C2CC[NH2+]CC2)no1 ZINC000843139082 653780435 /nfs/dbraw/zinc/78/04/35/653780435.db2.gz OTIAZVXYFQUPNR-UHFFFAOYSA-N 1 0 391.225 2.095 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)NCC1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000882422292 653781126 /nfs/dbraw/zinc/78/11/26/653781126.db2.gz MOMCXDYVUKBWCB-XMMPIXPASA-N 1 0 391.603 2.373 20 0 GEADRO COc1nc(-c2noc(C[C@H]([NH3+])Cc3ccccc3)n2)ncc1Br ZINC000843212690 653781600 /nfs/dbraw/zinc/78/16/00/653781600.db2.gz JXRQCGGEOLAAPB-LLVKDONJSA-N 1 0 390.241 2.410 20 0 GEADRO C[C@H]([NH3+])Cc1nc(C(C)(C)S(=O)(=O)c2ccc(Br)cc2)no1 ZINC000843212457 653781623 /nfs/dbraw/zinc/78/16/23/653781623.db2.gz VDLRHTWYDRBJNF-VIFPVBQESA-N 1 0 388.287 2.431 20 0 GEADRO COc1nc(C)c(Br)cc1-c1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000843226693 653781958 /nfs/dbraw/zinc/78/19/58/653781958.db2.gz GXDPGMJHTKMAHZ-SECBINFHSA-N 1 0 385.287 2.459 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843265780 653782470 /nfs/dbraw/zinc/78/24/70/653782470.db2.gz VKYVQONSJGMQES-UHFFFAOYSA-N 1 0 384.318 2.433 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000843266171 653782490 /nfs/dbraw/zinc/78/24/90/653782490.db2.gz KVSJXKYLUKMYSQ-OAHLLOKOSA-N 1 0 397.317 2.143 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882472291 653783489 /nfs/dbraw/zinc/78/34/89/653783489.db2.gz DESGSYSLYPNXQT-SECBINFHSA-N 1 0 383.212 2.099 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl ZINC000882476502 653783870 /nfs/dbraw/zinc/78/38/70/653783870.db2.gz ATRLMBQLWRFPPZ-BBRMVZONSA-N 1 0 383.945 2.402 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC)ccc1Cl ZINC000882479338 653784063 /nfs/dbraw/zinc/78/40/63/653784063.db2.gz SZOKKLPMTKGBMT-AWEZNQCLSA-N 1 0 387.933 2.195 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000882483870 653784370 /nfs/dbraw/zinc/78/43/70/653784370.db2.gz MMLBCPUSEOAYBF-QWHCGFSZSA-N 1 0 380.286 2.012 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000882484283 653784637 /nfs/dbraw/zinc/78/46/37/653784637.db2.gz YCFGJPGSUJVXJR-ZDUSSCGKSA-N 1 0 378.523 2.139 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1nc(C3CC3)ncc1Br)CCO2 ZINC000843314965 653785126 /nfs/dbraw/zinc/78/51/26/653785126.db2.gz PRKKSXGUDQHQJL-UHFFFAOYSA-N 1 0 395.301 2.053 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000866073571 653785206 /nfs/dbraw/zinc/78/52/06/653785206.db2.gz PVAYRYBPBWVIKQ-UVBJJODRSA-N 1 0 382.302 2.225 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000866073572 653785258 /nfs/dbraw/zinc/78/52/58/653785258.db2.gz PVAYRYBPBWVIKQ-XZJROXQQSA-N 1 0 382.302 2.225 20 0 GEADRO COc1cc(CS(=O)(=O)N(CC(C)C)CC2CC[NH+](C)CC2)sn1 ZINC000882504535 653785631 /nfs/dbraw/zinc/78/56/31/653785631.db2.gz ZYCUPHQQCWXDRT-UHFFFAOYSA-N 1 0 375.560 2.281 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363765 653785769 /nfs/dbraw/zinc/78/57/69/653785769.db2.gz PPZNHSXAGMGALU-UHFFFAOYSA-N 1 0 377.290 2.000 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000843390226 653785968 /nfs/dbraw/zinc/78/59/68/653785968.db2.gz LEJXQEBRHJKNMM-OAHLLOKOSA-N 1 0 393.285 2.401 20 0 GEADRO C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000843392795 653785990 /nfs/dbraw/zinc/78/59/90/653785990.db2.gz MSXLEJYDRNSCOQ-NWDGAFQWSA-N 1 0 399.285 2.166 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(N)nc(Br)c2)c2ccccc2O1 ZINC000820895965 653786294 /nfs/dbraw/zinc/78/62/94/653786294.db2.gz JWQQGXDCYITBMK-GFCCVEGCSA-N 1 0 391.269 2.396 20 0 GEADRO Cc1cc([C@@H]([NH3+])CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc(Cl)n1 ZINC000843445052 653787200 /nfs/dbraw/zinc/78/72/00/653787200.db2.gz SOHZOSWAXFRPAE-AWEZNQCLSA-N 1 0 379.869 2.402 20 0 GEADRO CN1CC[NH+](C2CCN(C(=O)Nc3cc(Br)ccn3)CC2)CC1 ZINC000866154502 653787299 /nfs/dbraw/zinc/78/72/99/653787299.db2.gz ULDNUPXDZJUPTJ-UHFFFAOYSA-N 1 0 382.306 2.088 20 0 GEADRO [NH3+]CC[C@H](NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)C(F)F ZINC000843484117 653788161 /nfs/dbraw/zinc/78/81/61/653788161.db2.gz NHASOVJHSSDBNU-AWEZNQCLSA-N 1 0 378.416 2.254 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843492719 653788316 /nfs/dbraw/zinc/78/83/16/653788316.db2.gz WIOVXWOTTUEBRM-HNNXBMFYSA-N 1 0 385.302 2.275 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(F)cc(Br)c1F ZINC000820989864 653788347 /nfs/dbraw/zinc/78/83/47/653788347.db2.gz CQPRWWITLIDNSW-NSHDSACASA-N 1 0 377.229 2.304 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000843503044 653788457 /nfs/dbraw/zinc/78/84/57/653788457.db2.gz IZWYFHFIIRROMJ-GHMZBOCLSA-N 1 0 375.922 2.272 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000843506326 653788714 /nfs/dbraw/zinc/78/87/14/653788714.db2.gz BSVPABZVYRNCEJ-KRWDZBQOSA-N 1 0 378.881 2.442 20 0 GEADRO CCn1c(CNC(=S)NCC[NH+](C)C)nc2cc(Br)ccc21 ZINC000790357195 653789956 /nfs/dbraw/zinc/78/99/56/653789956.db2.gz SWQNXOLTXQRCJU-UHFFFAOYSA-N 1 0 384.347 2.344 20 0 GEADRO CN(Cc1cc(Br)cn1C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790374961 653790266 /nfs/dbraw/zinc/79/02/66/653790266.db2.gz VDCYXSWGZTVDHE-KRWDZBQOSA-N 1 0 397.317 2.094 20 0 GEADRO O=C1O[C@@]2(CN1CN1CCSC[C@@H]1c1nccs1)C[NH+]1CCC2CC1 ZINC000790389336 653790668 /nfs/dbraw/zinc/79/06/68/653790668.db2.gz VIHOSHMCZYVDQZ-RHSMWYFYSA-N 1 0 380.539 2.107 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)CCN1c1cc[nH+]cc1 ZINC000882619184 653790936 /nfs/dbraw/zinc/79/09/36/653790936.db2.gz DTITZVDAHULMKL-LLVKDONJSA-N 1 0 382.873 2.500 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CCN1c1cc[nH+]cc1 ZINC000882621014 653791136 /nfs/dbraw/zinc/79/11/36/653791136.db2.gz HCLWIJNVKJAUIT-LLVKDONJSA-N 1 0 397.913 2.344 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866410023 653793698 /nfs/dbraw/zinc/79/36/98/653793698.db2.gz CRVKKYCHVYGZGM-XJKSGUPXSA-N 1 0 386.539 2.396 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000790597427 653793930 /nfs/dbraw/zinc/79/39/30/653793930.db2.gz ZWRCNSVZSRZGQF-DLBZAZTESA-N 1 0 381.314 2.358 20 0 GEADRO Fc1ccc(C[N@@H+]2CCCN(CCn3cnc(Br)n3)CC2)cc1 ZINC000821342955 653795413 /nfs/dbraw/zinc/79/54/13/653795413.db2.gz ROSZJSGBXILCJL-UHFFFAOYSA-N 1 0 382.281 2.388 20 0 GEADRO COc1cccc([C@@H](C)[NH+]2CCN(CCn3cnc(Br)n3)CC2)c1 ZINC000821368948 653796141 /nfs/dbraw/zinc/79/61/41/653796141.db2.gz QEKWWRGCLWMYBB-CQSZACIVSA-N 1 0 394.317 2.428 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000790762375 653796833 /nfs/dbraw/zinc/79/68/33/653796833.db2.gz PNTFQVCEJLNUAX-INMHGKMJSA-N 1 0 391.387 2.485 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cn(C)nc1Br ZINC000866488106 653798448 /nfs/dbraw/zinc/79/84/48/653798448.db2.gz QZZGXBWJNQCLTK-UHFFFAOYSA-N 1 0 395.367 2.171 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(Br)c(=O)[nH]c2C)C[C@@H]1C ZINC000844022984 653799282 /nfs/dbraw/zinc/79/92/82/653799282.db2.gz LISYMXUKVMMOMD-PHIMTYICSA-N 1 0 386.290 2.039 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(C2SCCS2)cc1 ZINC000844041293 653799783 /nfs/dbraw/zinc/79/97/83/653799783.db2.gz QBDUCMUMMOBOQO-ZDUSSCGKSA-N 1 0 379.551 2.357 20 0 GEADRO Brc1ccc2nnc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)n2c1 ZINC000882727082 653800690 /nfs/dbraw/zinc/80/06/90/653800690.db2.gz LNHSBPYKXMQNAA-CQSZACIVSA-N 1 0 380.290 2.229 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1Cc3cc(Br)ccc3O1)CCO2 ZINC000844093879 653801202 /nfs/dbraw/zinc/80/12/02/653801202.db2.gz JSIBRUKMTAETMT-MRXNPFEDSA-N 1 0 395.297 2.076 20 0 GEADRO C[C@@H](CNS(=O)(=O)Cc1ncsc1Br)[NH+]1CCCCC1 ZINC000866565107 653802395 /nfs/dbraw/zinc/80/23/95/653802395.db2.gz CEBCXERQEXOHRJ-JTQLQIEISA-N 1 0 382.349 2.199 20 0 GEADRO CN1CCN(c2ccc(NC(=O)c3csc(CC[NH3+])n3)cc2Cl)CC1 ZINC000844190844 653803050 /nfs/dbraw/zinc/80/30/50/653803050.db2.gz ROGILFQTDDFSFH-UHFFFAOYSA-N 1 0 379.917 2.302 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)[C@H]1C ZINC000844196227 653803069 /nfs/dbraw/zinc/80/30/69/653803069.db2.gz CEWMOJFVWMTFAD-RYUDHWBXSA-N 1 0 378.523 2.137 20 0 GEADRO CN(C)C(=O)N1CCC([NH2+][C@H]2COc3cccc(Br)c3C2)CC1 ZINC000866595083 653805051 /nfs/dbraw/zinc/80/50/51/653805051.db2.gz VWWNWCHTLQKXSF-CYBMUJFWSA-N 1 0 382.302 2.488 20 0 GEADRO Cc1sc(Br)nc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000791198815 653805740 /nfs/dbraw/zinc/80/57/40/653805740.db2.gz BPSXFIQOENOAAV-LLVKDONJSA-N 1 0 376.320 2.301 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000882769513 653806125 /nfs/dbraw/zinc/80/61/25/653806125.db2.gz ZKIGZGRUZJHLPM-ZDUSSCGKSA-N 1 0 385.555 2.194 20 0 GEADRO COc1ccc(C[C@H](C)[NH2+]Cc2c(I)cnn2C)cn1 ZINC000866631327 653807235 /nfs/dbraw/zinc/80/72/35/653807235.db2.gz LSWRYHRKJFXKLT-JTQLQIEISA-N 1 0 386.237 2.149 20 0 GEADRO C[NH+](C)CCN1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000844568703 653809353 /nfs/dbraw/zinc/80/93/53/653809353.db2.gz CPOPKKYWNWCOHL-UHFFFAOYSA-N 1 0 375.325 2.396 20 0 GEADRO Cc1nc(C)c(Br)c(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n1 ZINC000882814819 653811093 /nfs/dbraw/zinc/81/10/93/653811093.db2.gz UIMBWQLLZREUEQ-UHFFFAOYSA-N 1 0 396.333 2.166 20 0 GEADRO CCn1ncc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1Br ZINC000821893669 653811215 /nfs/dbraw/zinc/81/12/15/653811215.db2.gz IESJTXRCCJQJCC-OLZOCXBDSA-N 1 0 387.347 2.317 20 0 GEADRO CC1(C)CC[NH2+]CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000866699699 653812834 /nfs/dbraw/zinc/81/28/34/653812834.db2.gz SBWYCZFBIFALEM-UHFFFAOYSA-N 1 0 375.332 2.297 20 0 GEADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(CCOc2ccc(Cl)cc2Cl)C1 ZINC000866706153 653813092 /nfs/dbraw/zinc/81/30/92/653813092.db2.gz AAOBKOSGLNHELC-BJJXKVORSA-N 1 0 386.279 2.239 20 0 GEADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000866706483 653813178 /nfs/dbraw/zinc/81/31/78/653813178.db2.gz ATINXACBAGIQTE-XPKDYRNWSA-N 1 0 386.279 2.239 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714052 653814075 /nfs/dbraw/zinc/81/40/75/653814075.db2.gz DXEUYCTVJPMURA-MPESAESLSA-N 1 0 380.286 2.377 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714050 653814286 /nfs/dbraw/zinc/81/42/86/653814286.db2.gz DXEUYCTVJPMURA-CAPXZKIUSA-N 1 0 380.286 2.377 20 0 GEADRO CNC(=O)[C@@]1(C)CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844703086 653814656 /nfs/dbraw/zinc/81/46/56/653814656.db2.gz BOUSCRYHEQBMIA-SFHVURJKSA-N 1 0 392.297 2.090 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1 ZINC000866717727 653814804 /nfs/dbraw/zinc/81/48/04/653814804.db2.gz NPHDNIAAKFNYGD-UHFFFAOYSA-N 1 0 382.452 2.180 20 0 GEADRO C[NH+](C)CCN1CCN(Cn2c(=S)snc2-c2ccccc2)CC1=O ZINC000844713404 653815527 /nfs/dbraw/zinc/81/55/27/653815527.db2.gz AXWMMWSPBNCQPD-UHFFFAOYSA-N 1 0 377.539 2.004 20 0 GEADRO C[N@@H+]1CCN(Cn2cc(I)cn2)[C@@H](Cc2ccccc2)C1 ZINC000844738694 653816125 /nfs/dbraw/zinc/81/61/25/653816125.db2.gz BMQGBUXUTUETPQ-INIZCTEOSA-N 1 0 396.276 2.304 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866737088 653817062 /nfs/dbraw/zinc/81/70/62/653817062.db2.gz JSWWVQWDNDSBGS-JQWIXIFHSA-N 1 0 379.404 2.078 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NCCC[NH2+]C(C)C ZINC000866737619 653817128 /nfs/dbraw/zinc/81/71/28/653817128.db2.gz HULHCZIAQXLEDH-UHFFFAOYSA-N 1 0 379.320 2.265 20 0 GEADRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000844779529 653817444 /nfs/dbraw/zinc/81/74/44/653817444.db2.gz XRRCFMNTXPQBDC-CQSZACIVSA-N 1 0 376.507 2.186 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)COC1CC[NH+](C)CC1 ZINC000822097908 653818362 /nfs/dbraw/zinc/81/83/62/653818362.db2.gz VLCIWDVXPYSBBA-MRXNPFEDSA-N 1 0 385.302 2.052 20 0 GEADRO O=C(c1nc(Br)ccc1F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000791600290 653819071 /nfs/dbraw/zinc/81/90/71/653819071.db2.gz FYAOPYRZQNZBLK-UHFFFAOYSA-N 1 0 386.265 2.168 20 0 GEADRO COc1cc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)c(Br)cc1O ZINC000895124440 653819685 /nfs/dbraw/zinc/81/96/85/653819685.db2.gz LEISBKBKIIWHTC-ZJUUUORDSA-N 1 0 378.288 2.076 20 0 GEADRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000895147751 653820340 /nfs/dbraw/zinc/82/03/40/653820340.db2.gz NSVNPLYQVQPXSZ-LLVKDONJSA-N 1 0 375.516 2.219 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000866759072 653820392 /nfs/dbraw/zinc/82/03/92/653820392.db2.gz MKOZGRKQHUGZNB-MNOVXSKESA-N 1 0 377.304 2.018 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000822237864 653820643 /nfs/dbraw/zinc/82/06/43/653820643.db2.gz KTLXNDRCKVJPSB-CJNGLKHVSA-N 1 0 375.296 2.500 20 0 GEADRO C[C@]1(C(=O)NCCCC[NH+]2CCOCC2)CC1(Br)Br ZINC000822243950 653820666 /nfs/dbraw/zinc/82/06/66/653820666.db2.gz FPSGYORLVKBFST-GFCCVEGCSA-N 1 0 398.139 2.111 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000866761504 653820888 /nfs/dbraw/zinc/82/08/88/653820888.db2.gz WZGCSZVGHAZPFV-NSHDSACASA-N 1 0 377.304 2.019 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000866767555 653821831 /nfs/dbraw/zinc/82/18/31/653821831.db2.gz CBDURWVDXPFNPG-UHFFFAOYSA-N 1 0 377.304 2.019 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000866769903 653822140 /nfs/dbraw/zinc/82/21/40/653822140.db2.gz QOKNWASAZJUGDG-CQSZACIVSA-N 1 0 391.331 2.265 20 0 GEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1nc(Br)ccc1F ZINC000791748490 653822643 /nfs/dbraw/zinc/82/26/43/653822643.db2.gz CAPCGKBGKFUCSB-NSHDSACASA-N 1 0 386.265 2.309 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1(Cl)Cl ZINC000866770879 653822758 /nfs/dbraw/zinc/82/27/58/653822758.db2.gz HWWANEPVQWWBTH-MGPQQGTHSA-N 1 0 385.357 2.118 20 0 GEADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)C3SCCS3)cc2)CC1 ZINC000844848174 653822753 /nfs/dbraw/zinc/82/27/53/653822753.db2.gz KHLSFLCBVHEFFP-UHFFFAOYSA-N 1 0 381.567 2.448 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1(Cl)Cl ZINC000866771919 653822962 /nfs/dbraw/zinc/82/29/62/653822962.db2.gz LSBWJWKXJAVBFU-MELADBBJSA-N 1 0 385.357 2.118 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000866775673 653823933 /nfs/dbraw/zinc/82/39/33/653823933.db2.gz LJESCYYTFGCZKF-JHJVBQTASA-N 1 0 394.324 2.438 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000895231036 653823993 /nfs/dbraw/zinc/82/39/93/653823993.db2.gz UXBOQKPXSVQHTA-AWEZNQCLSA-N 1 0 382.258 2.480 20 0 GEADRO C[NH+]1CCC(NC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000883057865 653824262 /nfs/dbraw/zinc/82/42/62/653824262.db2.gz AAJKNRFGIYWMII-OAHLLOKOSA-N 1 0 395.301 2.096 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000866781489 653825008 /nfs/dbraw/zinc/82/50/08/653825008.db2.gz PDIWJECRSQKRJQ-QWRGUYRKSA-N 1 0 377.304 2.018 20 0 GEADRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2c(I)cnn2C)cn1 ZINC000895277251 653825861 /nfs/dbraw/zinc/82/58/61/653825861.db2.gz CQGPCMMSCFMEND-OCCSQVGLSA-N 1 0 399.280 2.259 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866793172 653827023 /nfs/dbraw/zinc/82/70/23/653827023.db2.gz AGLXPQAHXMHVSD-UHFFFAOYSA-N 1 0 389.315 2.243 20 0 GEADRO COc1ccc(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)cc1Br ZINC000866795561 653827659 /nfs/dbraw/zinc/82/76/59/653827659.db2.gz ACFRQKZLOFFJRA-UHFFFAOYSA-N 1 0 375.288 2.102 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822452315 653828671 /nfs/dbraw/zinc/82/86/71/653828671.db2.gz YKOIGWUCCUEXCP-LSDHHAIUSA-N 1 0 377.551 2.036 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000866802973 653828667 /nfs/dbraw/zinc/82/86/67/653828667.db2.gz OOVKATIJHXPBQD-UHFFFAOYSA-N 1 0 389.905 2.070 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c1 ZINC000866803074 653828688 /nfs/dbraw/zinc/82/86/88/653828688.db2.gz AMQSIVYZSQMGFR-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H](O)c2ccc(Br)cc2)CC1 ZINC000791912885 653829232 /nfs/dbraw/zinc/82/92/32/653829232.db2.gz ROTDLUMCDINHTN-QGZVFWFLSA-N 1 0 399.329 2.442 20 0 GEADRO C[NH+](C)CC[C@H](N)c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000844914911 653829287 /nfs/dbraw/zinc/82/92/87/653829287.db2.gz MVPXLCGFGMXZSQ-LBPRGKRZSA-N 1 0 397.273 2.146 20 0 GEADRO Brc1cccc(C2(c3noc([C@]45C[NH2+]C[C@H]4COC5)n3)CC2)c1 ZINC000844918589 653829404 /nfs/dbraw/zinc/82/94/04/653829404.db2.gz YEPCBYKBUGQNKT-SJCJKPOMSA-N 1 0 376.254 2.399 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)cc(Br)c2)C1 ZINC000866805546 653829439 /nfs/dbraw/zinc/82/94/39/653829439.db2.gz NHGHXSSNPPZFSP-WKFQBHICSA-N 1 0 398.120 2.227 20 0 GEADRO Fc1ccc(Br)c(F)c1Cc1noc([C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000844921354 653829661 /nfs/dbraw/zinc/82/96/61/653829661.db2.gz YENDOYJRHZULGW-AYVTZFPOSA-N 1 0 386.196 2.189 20 0 GEADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)C1 ZINC000866808504 653830104 /nfs/dbraw/zinc/83/01/04/653830104.db2.gz RGCDJMLSFFDYEZ-HAQNSBGRSA-N 1 0 384.395 2.119 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)c1 ZINC000866811344 653831051 /nfs/dbraw/zinc/83/10/51/653831051.db2.gz RSFGJKPCBNVQNO-SNVBAGLBSA-N 1 0 377.304 2.124 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)Cc2ncsc2Br)C1 ZINC000866813751 653831621 /nfs/dbraw/zinc/83/16/21/653831621.db2.gz BDVBWEUMNXBLML-ZDUSSCGKSA-N 1 0 396.376 2.432 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000883253945 653833095 /nfs/dbraw/zinc/83/30/95/653833095.db2.gz GDQCXWTWKYGXOE-CYBMUJFWSA-N 1 0 383.290 2.089 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866824076 653833370 /nfs/dbraw/zinc/83/33/70/653833370.db2.gz RGIZEIBPAANCIV-UONOGXRCSA-N 1 0 377.279 2.244 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866827027 653834045 /nfs/dbraw/zinc/83/40/45/653834045.db2.gz HAPGMXRKNPZZBI-RYUDHWBXSA-N 1 0 393.278 2.112 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1Br ZINC000866827546 653834058 /nfs/dbraw/zinc/83/40/58/653834058.db2.gz OSEIFPKOVGKHNL-GJZGRUSLSA-N 1 0 387.299 2.167 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866826806 653834092 /nfs/dbraw/zinc/83/40/92/653834092.db2.gz CXAABCAJSTXTNO-ZJUUUORDSA-N 1 0 380.695 2.013 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866828752 653834365 /nfs/dbraw/zinc/83/43/65/653834365.db2.gz XXOJQTAAJHWMNU-RYUDHWBXSA-N 1 0 381.242 2.242 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(S(=O)(=O)CC)CC2)C[C@@H]1C(F)(F)F ZINC000895441357 653834631 /nfs/dbraw/zinc/83/46/31/653834631.db2.gz USXGAWBNADTKQQ-UPJWGTAASA-N 1 0 385.448 2.454 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000895447989 653835306 /nfs/dbraw/zinc/83/53/06/653835306.db2.gz UPQUKBHRGRXSKO-UHFFFAOYSA-N 1 0 378.258 2.171 20 0 GEADRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1c(I)cnn1C ZINC000895457618 653836028 /nfs/dbraw/zinc/83/60/28/653836028.db2.gz GUTCTILXGNYYIX-CQSZACIVSA-N 1 0 382.249 2.301 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883364755 653837201 /nfs/dbraw/zinc/83/72/01/653837201.db2.gz NUENBOZCVLEKLE-KGLIPLIRSA-N 1 0 387.933 2.396 20 0 GEADRO Brc1cncc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000822706525 653837272 /nfs/dbraw/zinc/83/72/72/653837272.db2.gz SPSKGHCSRZGERU-LLVKDONJSA-N 1 0 376.218 2.077 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000883360234 653837330 /nfs/dbraw/zinc/83/73/30/653837330.db2.gz YEHSZDLJDSLYDY-SKDRFNHKSA-N 1 0 390.374 2.146 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H](C)CCCC(F)(F)F)c1 ZINC000895488209 653837998 /nfs/dbraw/zinc/83/79/98/653837998.db2.gz VNAOPDGQUDICML-LLVKDONJSA-N 1 0 381.420 2.244 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cc2cc(Br)ccc2o1 ZINC000883385870 653838415 /nfs/dbraw/zinc/83/84/15/653838415.db2.gz VBCCFMRUIZZQDH-CQSZACIVSA-N 1 0 395.301 2.240 20 0 GEADRO CCn1nnc(C)c1C[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000883386559 653838487 /nfs/dbraw/zinc/83/84/87/653838487.db2.gz IIYSNHFDGTUROC-AWEZNQCLSA-N 1 0 378.274 2.412 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C[C@@H]1C ZINC000866855566 653838696 /nfs/dbraw/zinc/83/86/96/653838696.db2.gz PXJHMNIEDMGNTD-XACMVJRISA-N 1 0 391.534 2.332 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(Br)cc1O ZINC000895529183 653839778 /nfs/dbraw/zinc/83/97/78/653839778.db2.gz UGBHXOUGJLINRT-MFKMUULPSA-N 1 0 384.274 2.009 20 0 GEADRO O=c1cc(CN2CC[NH2+]CCC23CCC3)nc2ccc(Br)cn12 ZINC000883457099 653840735 /nfs/dbraw/zinc/84/07/35/653840735.db2.gz SZSMGFSVQJQEMW-UHFFFAOYSA-N 1 0 377.286 2.175 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)c(C)c1Cl ZINC000883479322 653842300 /nfs/dbraw/zinc/84/23/00/653842300.db2.gz UOXJDXGXOGHPOH-UHFFFAOYSA-N 1 0 392.930 2.403 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)N3CCc4sc(C[NH3+])nc4C3)cc2s1 ZINC000883480946 653842430 /nfs/dbraw/zinc/84/24/30/653842430.db2.gz RWOSPWDUWRQBKE-UHFFFAOYSA-N 1 0 380.520 2.267 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000895621383 653843855 /nfs/dbraw/zinc/84/38/55/653843855.db2.gz QQBPGBUSIWZCSW-NOZJJQNGSA-N 1 0 375.288 2.073 20 0 GEADRO Cn1nc(Br)nc1CNc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000895648620 653844610 /nfs/dbraw/zinc/84/46/10/653844610.db2.gz WKVGVALFXHIUMT-HNNXBMFYSA-N 1 0 391.317 2.474 20 0 GEADRO COc1nc(Br)ccc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000822907177 653845812 /nfs/dbraw/zinc/84/58/12/653845812.db2.gz ZUVQJQZASNPEAV-GFCCVEGCSA-N 1 0 399.289 2.228 20 0 GEADRO CCOc1cc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc(Br)c1O ZINC000895688982 653845897 /nfs/dbraw/zinc/84/58/97/653845897.db2.gz SPUBRSVYFWGTFQ-XYPYZODXSA-N 1 0 378.288 2.219 20 0 GEADRO [NH3+]CCCCn1cc(-c2nc(Cc3ccc(Br)s3)no2)nn1 ZINC000822920368 653846072 /nfs/dbraw/zinc/84/60/72/653846072.db2.gz SYXIZPXDGJRVQM-UHFFFAOYSA-N 1 0 383.275 2.482 20 0 GEADRO C[C@]1(CNC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CCC[NH2+]C1 ZINC000883592704 653846405 /nfs/dbraw/zinc/84/64/05/653846405.db2.gz PVPJSBXRHKSBTI-INIZCTEOSA-N 1 0 397.273 2.291 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[NH2+]1 ZINC000883592322 653846491 /nfs/dbraw/zinc/84/64/91/653846491.db2.gz DCIUAFMXWTWYEO-PSASIEDQSA-N 1 0 383.246 2.042 20 0 GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000883593232 653846672 /nfs/dbraw/zinc/84/66/72/653846672.db2.gz DXEMBWSKCLEBMJ-MLGOLLRUSA-N 1 0 395.257 2.186 20 0 GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000883593233 653846735 /nfs/dbraw/zinc/84/67/35/653846735.db2.gz DXEMBWSKCLEBMJ-WBMJQRKESA-N 1 0 395.257 2.186 20 0 GEADRO [NH3+]CCCn1cc(-c2nc(CCc3ccccc3Br)no2)nn1 ZINC000822971836 653848014 /nfs/dbraw/zinc/84/80/14/653848014.db2.gz BUCKXGPXVFYAND-UHFFFAOYSA-N 1 0 377.246 2.225 20 0 GEADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000822976720 653848120 /nfs/dbraw/zinc/84/81/20/653848120.db2.gz IVBGOSDXMXOIED-HACGYAERSA-N 1 0 378.296 2.373 20 0 GEADRO O[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Cc1ccccc1F ZINC000895750160 653848464 /nfs/dbraw/zinc/84/84/64/653848464.db2.gz WTLBCSHFVKSCTC-CYBMUJFWSA-N 1 0 385.892 2.465 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cscc2Br)[C@@H]1C[NH3+] ZINC000883639972 653849111 /nfs/dbraw/zinc/84/91/11/653849111.db2.gz CZYYTGHWUJHIGB-ZWNOBZJWSA-N 1 0 388.331 2.055 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000895772837 653849725 /nfs/dbraw/zinc/84/97/25/653849725.db2.gz VQZLFDLFCHBWDJ-NHYWBVRUSA-N 1 0 385.277 2.404 20 0 GEADRO CC(C)(c1noc([C@@H]2C[C@@H]2[NH3+])n1)S(=O)(=O)c1ccc(Br)cc1 ZINC000823012589 653850058 /nfs/dbraw/zinc/85/00/58/653850058.db2.gz WNMCKJIOSQXORF-MNOVXSKESA-N 1 0 386.271 2.356 20 0 GEADRO COC[C@@]1(c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)CC[NH2+]C1 ZINC000823036853 653851102 /nfs/dbraw/zinc/85/11/02/653851102.db2.gz KIGUIRIYLONMRE-MRXNPFEDSA-N 1 0 385.251 2.435 20 0 GEADRO CCC1([NH+]2CCC2)CCN(Cc2c(I)cnn2C)CC1 ZINC000895821020 653851333 /nfs/dbraw/zinc/85/13/33/653851333.db2.gz BGEVZHXZUYEILS-UHFFFAOYSA-N 1 0 388.297 2.475 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792746747 653851534 /nfs/dbraw/zinc/85/15/34/653851534.db2.gz MSTCYJGJWZMIIA-OAHLLOKOSA-N 1 0 376.469 2.085 20 0 GEADRO C[C@@H](NC(=O)C[NH+]1CCCC1)c1ccc(Br)cc1OCCCO ZINC000823072935 653852521 /nfs/dbraw/zinc/85/25/21/653852521.db2.gz LZNLQIUWGVHFHI-CYBMUJFWSA-N 1 0 385.302 2.483 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883801176 653853653 /nfs/dbraw/zinc/85/36/53/653853653.db2.gz WZFICOPJLDAEMQ-GFCCVEGCSA-N 1 0 375.382 2.355 20 0 GEADRO C[C@@H](c1nc(-c2ccc3ncc(I)n3c2)no1)[C@H](C)[NH3+] ZINC000823116466 653854170 /nfs/dbraw/zinc/85/41/70/653854170.db2.gz VCBSJYZNYORPQB-SFYZADRCSA-N 1 0 383.193 2.440 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000823132458 653855005 /nfs/dbraw/zinc/85/50/05/653855005.db2.gz FHQGELZGQFAFON-DGCLKSJQSA-N 1 0 380.286 2.428 20 0 GEADRO CNC(=O)C1([NH2+]Cc2ccnc3c(Br)cccc23)CCOCC1 ZINC000895884653 653855625 /nfs/dbraw/zinc/85/56/25/653855625.db2.gz MHZNGXFEOXTCDT-UHFFFAOYSA-N 1 0 378.270 2.382 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cc2cc(Br)ccc2o1 ZINC000883945318 653856890 /nfs/dbraw/zinc/85/68/90/653856890.db2.gz LWRHJVZTCAQUBP-MRXNPFEDSA-N 1 0 384.274 2.307 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCC[C@@H]3CC3(Cl)Cl)CC2)C1 ZINC000845666319 653857723 /nfs/dbraw/zinc/85/77/23/653857723.db2.gz FRFDENWKWOXKLT-CABCVRRESA-N 1 0 377.360 2.382 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc4nc(Cl)ncc4s3)CC[C@@H]21 ZINC000866972014 653858231 /nfs/dbraw/zinc/85/82/31/653858231.db2.gz LTNNHVUXIQYUTJ-JQWIXIFHSA-N 1 0 386.930 2.450 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCc2sccc2Br)CC1 ZINC000883952358 653858425 /nfs/dbraw/zinc/85/84/25/653858425.db2.gz HMAXUFGHCYGKRL-UHFFFAOYSA-N 1 0 390.347 2.151 20 0 GEADRO COC[C@@]1(c2nc(-c3cn4ccc(Br)cc4n3)no2)CC[NH2+]C1 ZINC000823230834 653858791 /nfs/dbraw/zinc/85/87/91/653858791.db2.gz OVNSJOXNIFVHKG-OAHLLOKOSA-N 1 0 378.230 2.024 20 0 GEADRO Cc1cc(Cc2noc(-c3cn(CCC[NH3+])nn3)n2)ccc1Br ZINC000823231521 653858817 /nfs/dbraw/zinc/85/88/17/653858817.db2.gz WTOYTNDHWQHILV-UHFFFAOYSA-N 1 0 377.246 2.339 20 0 GEADRO O=C1CC[C@@H]([NH+]2CCN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)CCN1 ZINC000823225393 653858857 /nfs/dbraw/zinc/85/88/57/653858857.db2.gz OXRYZGCZBFEPRL-RHSMWYFYSA-N 1 0 386.323 2.313 20 0 GEADRO Cc1cc(CN2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)on1 ZINC000884006240 653859972 /nfs/dbraw/zinc/85/99/72/653859972.db2.gz KSOJYWQYYXAKLT-MRXNPFEDSA-N 1 0 393.285 2.090 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884025211 653860639 /nfs/dbraw/zinc/86/06/39/653860639.db2.gz PQEZVSQYWCGPIH-BMIGLBTASA-N 1 0 381.270 2.116 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCS2(=O)=O)C[C@@H]1C(F)(F)F ZINC000896008283 653860638 /nfs/dbraw/zinc/86/06/38/653860638.db2.gz HTPMOIOSRSWFDV-DGAVXFQQSA-N 1 0 385.448 2.454 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884025212 653860698 /nfs/dbraw/zinc/86/06/98/653860698.db2.gz PQEZVSQYWCGPIH-BONVTDFDSA-N 1 0 381.270 2.116 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000884020041 653860731 /nfs/dbraw/zinc/86/07/31/653860731.db2.gz LPPYIUFFPVXIET-JTQLQIEISA-N 1 0 377.794 2.286 20 0 GEADRO Cc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc1Br ZINC000823283315 653860886 /nfs/dbraw/zinc/86/08/86/653860886.db2.gz WBASMBRXAVHGEK-CYBMUJFWSA-N 1 0 383.290 2.215 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1 ZINC000884036784 653861008 /nfs/dbraw/zinc/86/10/08/653861008.db2.gz HEAFALROJXSEDE-SNVBAGLBSA-N 1 0 384.665 2.150 20 0 GEADRO COc1ccc(Br)cc1C1(c2noc(C[C@@H](C[NH3+])OC)n2)CC1 ZINC000823296217 653861220 /nfs/dbraw/zinc/86/12/20/653861220.db2.gz RNVKJMNBPJQHFD-NSHDSACASA-N 1 0 382.258 2.437 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000866991781 653861315 /nfs/dbraw/zinc/86/13/15/653861315.db2.gz DJBBPPSSJDJKPK-UPCLLVRISA-N 1 0 387.571 2.346 20 0 GEADRO CCCC(=O)NC1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884092932 653863118 /nfs/dbraw/zinc/86/31/18/653863118.db2.gz UEIJRMLWWTYQBB-INIZCTEOSA-N 1 0 382.302 2.356 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793044779 653863899 /nfs/dbraw/zinc/86/38/99/653863899.db2.gz PZKZNRDPADLRBJ-UHFFFAOYSA-N 1 0 392.541 2.453 20 0 GEADRO C[C@@H]1[C@H](COC(=O)CN(C)C(=O)c2ccc(Br)s2)CC[N@@H+]1C ZINC000845814148 653864037 /nfs/dbraw/zinc/86/40/37/653864037.db2.gz HPPQJKUKXBKCCH-MNOVXSKESA-N 1 0 389.315 2.466 20 0 GEADRO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884115065 653864582 /nfs/dbraw/zinc/86/45/82/653864582.db2.gz IONSUYTVQOGPBT-HIFRSBDPSA-N 1 0 382.302 2.214 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884135057 653865271 /nfs/dbraw/zinc/86/52/71/653865271.db2.gz ZZBFQYLHEOHCPE-NSHDSACASA-N 1 0 375.441 2.299 20 0 GEADRO [NH3+][C@@H](C(=O)NCc1cc2c([nH]c1=O)CCC2)c1ccc(Br)cc1 ZINC000884132534 653865307 /nfs/dbraw/zinc/86/53/07/653865307.db2.gz SECPJKRLZDMPOP-OAHLLOKOSA-N 1 0 376.254 2.355 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884136776 653865323 /nfs/dbraw/zinc/86/53/23/653865323.db2.gz UZDZBDJGKGWXPV-BPLDGKMQSA-N 1 0 382.302 2.212 20 0 GEADRO O=C(c1c[nH]nc1I)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000896132795 653865827 /nfs/dbraw/zinc/86/58/27/653865827.db2.gz LKKYOZXOWCOLPG-NSHDSACASA-N 1 0 388.253 2.105 20 0 GEADRO O=C(NCC1SCCS1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000823382518 653866499 /nfs/dbraw/zinc/86/64/99/653866499.db2.gz DWTZSSWHTWCHJD-UHFFFAOYSA-N 1 0 381.567 2.119 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884192860 653867370 /nfs/dbraw/zinc/86/73/70/653867370.db2.gz PVXGMEIOSJAYJO-ZWNOBZJWSA-N 1 0 394.235 2.449 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C[C@@H]1[NH+](C)C ZINC000867025489 653867939 /nfs/dbraw/zinc/86/79/39/653867939.db2.gz OLWOVLYLTZLAPC-GXSJLCMTSA-N 1 0 392.959 2.011 20 0 GEADRO [NH3+]C1(CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)CCC1 ZINC000884247217 653869232 /nfs/dbraw/zinc/86/92/32/653869232.db2.gz NGDDIUSZEKSJEJ-UHFFFAOYSA-N 1 0 384.665 2.294 20 0 GEADRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2c(Br)cnn2C)cc1 ZINC000884278991 653870308 /nfs/dbraw/zinc/87/03/08/653870308.db2.gz YUPCMCHQLZMHBU-KRWDZBQOSA-N 1 0 391.313 2.461 20 0 GEADRO NC(=O)COc1ccc(C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000793207649 653870726 /nfs/dbraw/zinc/87/07/26/653870726.db2.gz QJNHDAFESLUFEG-UHFFFAOYSA-N 1 0 381.274 2.080 20 0 GEADRO O=C(CCCc1ccc(Br)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884288775 653870899 /nfs/dbraw/zinc/87/08/99/653870899.db2.gz MXTJNRPMQYIDLX-KRWDZBQOSA-N 1 0 380.330 2.278 20 0 GEADRO C[C@@H](C[NH2+]CC1CCC(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000896252890 653870934 /nfs/dbraw/zinc/87/09/34/653870934.db2.gz ALAPCDDEOGMYTR-UQPPLGOBSA-N 1 0 387.567 2.387 20 0 GEADRO O=C(c1nn2c(c1Br)CCC2)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000884294654 653871063 /nfs/dbraw/zinc/87/10/63/653871063.db2.gz HDHXMFVPWWFSBA-OLZOCXBDSA-N 1 0 381.318 2.444 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896258298 653871118 /nfs/dbraw/zinc/87/11/18/653871118.db2.gz KUZXHBDDGYSJAH-UHFFFAOYSA-N 1 0 399.333 2.211 20 0 GEADRO [NH3+]CC[C@H](NC(=O)COCCc1ccc(Br)cc1)C(F)(F)F ZINC000884303440 653871367 /nfs/dbraw/zinc/87/13/67/653871367.db2.gz ORFIYENJKZHYJF-LBPRGKRZSA-N 1 0 383.208 2.404 20 0 GEADRO CCOC(=O)N1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884309298 653871690 /nfs/dbraw/zinc/87/16/90/653871690.db2.gz RULGMKIWFNLNIH-CQSZACIVSA-N 1 0 384.274 2.140 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC(N2CCCCC2=O)CC1)c1ccc(Br)cc1 ZINC000884318282 653871907 /nfs/dbraw/zinc/87/19/07/653871907.db2.gz RXCBMTIXUGMMGF-KRWDZBQOSA-N 1 0 394.313 2.452 20 0 GEADRO COC(=O)c1csc(C[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)c1 ZINC000896276458 653872090 /nfs/dbraw/zinc/87/20/90/653872090.db2.gz LXWKGUQOFZNHIB-UHFFFAOYSA-N 1 0 382.507 2.216 20 0 GEADRO [NH3+][C@@H](C(=O)NCCCc1nnc2n1CCCC2)c1ccc(Br)cc1 ZINC000884328766 653872360 /nfs/dbraw/zinc/87/23/60/653872360.db2.gz XCKCLRSKGNXZTL-MRXNPFEDSA-N 1 0 392.301 2.126 20 0 GEADRO Cc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br ZINC000896287836 653872753 /nfs/dbraw/zinc/87/27/53/653872753.db2.gz WUOSKBTZYAKSGT-DLBZAZTESA-N 1 0 396.329 2.498 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cc4c(cncc4Cl)s3)C2)nn1 ZINC000884340866 653873093 /nfs/dbraw/zinc/87/30/93/653873093.db2.gz PDRBCFOBCLZYQK-LLVKDONJSA-N 1 0 376.873 2.477 20 0 GEADRO Cc1ccc(F)c(Br)c1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000884341023 653873167 /nfs/dbraw/zinc/87/31/67/653873167.db2.gz RJASEZKWFWLWOD-LBPRGKRZSA-N 1 0 396.264 2.424 20 0 GEADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000884364336 653874132 /nfs/dbraw/zinc/87/41/32/653874132.db2.gz QEQFIYHKEJFHSI-RBSFLKMASA-N 1 0 394.313 2.182 20 0 GEADRO CC1(C)[C@H](NC(=O)c2ncc(Br)cc2Br)C[C@@H]1[NH3+] ZINC000884360283 653874138 /nfs/dbraw/zinc/87/41/38/653874138.db2.gz XUDAWPVAIZKLMT-DTWKUNHWSA-N 1 0 377.080 2.462 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCc2cc(Cl)nnc2C1)c1ccc(Br)cc1 ZINC000884373287 653874482 /nfs/dbraw/zinc/87/44/82/653874482.db2.gz INXBXLVPBTZOSB-CQSZACIVSA-N 1 0 381.661 2.477 20 0 GEADRO [NH3+][C@@H](CC1CC1)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000884378302 653874503 /nfs/dbraw/zinc/87/45/03/653874503.db2.gz OADTZLVTMNMREE-HNNXBMFYSA-N 1 0 382.302 2.029 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1Cc3ccc(Br)cc3C(=O)O1)C2 ZINC000884382281 653874689 /nfs/dbraw/zinc/87/46/89/653874689.db2.gz FYHXKQUUHSMUKS-PNPHSEOMSA-N 1 0 393.281 2.118 20 0 GEADRO [NH3+][C@@H](C(=O)N(CCN1CCOCC1)CC1CC1)c1ccc(Br)cc1 ZINC000884413461 653875711 /nfs/dbraw/zinc/87/57/11/653875711.db2.gz UIURUBGGDCUMTH-QGZVFWFLSA-N 1 0 396.329 2.020 20 0 GEADRO [NH3+][C@H](C(=O)N(CCN1CCOCC1)CC1CC1)c1ccc(Br)cc1 ZINC000884413460 653875835 /nfs/dbraw/zinc/87/58/35/653875835.db2.gz UIURUBGGDCUMTH-KRWDZBQOSA-N 1 0 396.329 2.020 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884469884 653877752 /nfs/dbraw/zinc/87/77/52/653877752.db2.gz YUCZBJIMJJCAMF-DTORHVGOSA-N 1 0 384.665 2.150 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NCc2ccsc2Br)C1 ZINC000884507971 653879291 /nfs/dbraw/zinc/87/92/91/653879291.db2.gz QRLWHWIKSQLSBN-LLVKDONJSA-N 1 0 388.331 2.021 20 0 GEADRO Brc1cnc2c(C[NH2+][C@@H]3CCCN4CCSC[C@@H]34)cnn2c1 ZINC000896429974 653879630 /nfs/dbraw/zinc/87/96/30/653879630.db2.gz UYAVRLZJUKRIBV-KGLIPLIRSA-N 1 0 382.331 2.161 20 0 GEADRO CS(=O)(=O)CCN1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000823789264 653879916 /nfs/dbraw/zinc/87/99/16/653879916.db2.gz JLIMFQGHSOIYSW-CQSZACIVSA-N 1 0 376.444 2.190 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000823824943 653880992 /nfs/dbraw/zinc/88/09/92/653880992.db2.gz CYTKGFIIFJNWSP-SJLPKXTDSA-N 1 0 386.945 2.303 20 0 GEADRO C[C@H](NS(=O)(=O)c1nc[nH]c1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000867119588 653882002 /nfs/dbraw/zinc/88/20/02/653882002.db2.gz GGMDCDUFYWRZMD-CMPLNLGQSA-N 1 0 387.303 2.142 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896534222 653882925 /nfs/dbraw/zinc/88/29/25/653882925.db2.gz KYPWMWWSUSICTL-VJUNAUMWSA-N 1 0 380.330 2.303 20 0 GEADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1)[NH+]1CCCCC1 ZINC000793711768 653883405 /nfs/dbraw/zinc/88/34/05/653883405.db2.gz XRDOTJLUPLFKFU-CHWSQXEVSA-N 1 0 397.317 2.012 20 0 GEADRO C[C@@H](NC(=O)c1cc2c(Br)cccc2cn1)[C@H]1C[N@H+](C)CCN1C ZINC000896538578 653883448 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CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c1 ZINC000824084904 653885718 /nfs/dbraw/zinc/88/57/18/653885718.db2.gz IAQXXRCIZQAZRT-CABCVRRESA-N 1 0 387.933 2.049 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884716532 653885896 /nfs/dbraw/zinc/88/58/96/653885896.db2.gz BCJPTUJKFWSPSP-TVQRCGJNSA-N 1 0 377.794 2.089 20 0 GEADRO C[C@@H](NC(=O)CCc1ccc(Br)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896563568 653886044 /nfs/dbraw/zinc/88/60/44/653886044.db2.gz LJPLWEQUSJWUMO-WBMJQRKESA-N 1 0 386.309 2.271 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C(F)(F)F)n1 ZINC000824100993 653886029 /nfs/dbraw/zinc/88/60/29/653886029.db2.gz BMTHROCEPKOOMJ-TYNCELHUSA-N 1 0 377.432 2.335 20 0 GEADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cn(-c2ccccc2Br)nn1 ZINC000824101388 653886069 /nfs/dbraw/zinc/88/60/69/653886069.db2.gz SAGHGKOXFVGIIF-BETUJISGSA-N 1 0 390.285 2.386 20 0 GEADRO C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CC1)[C@H]1C[N@H+](C)CCN1C 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O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1F ZINC000884955883 653897824 /nfs/dbraw/zinc/89/78/24/653897824.db2.gz WMGUNCKUEQPECC-MNOVXSKESA-N 1 0 377.279 2.493 20 0 GEADRO COC1CC[NH+](CCNC(=O)Cc2sc(CC(F)(F)F)nc2C)CC1 ZINC000896884640 653898121 /nfs/dbraw/zinc/89/81/21/653898121.db2.gz SOYSJOBCVSFOHW-UHFFFAOYSA-N 1 0 379.448 2.326 20 0 GEADRO COC(=O)CCCN1CCC([NH2+]CC2(n3cc(Br)cn3)CC2)CC1 ZINC000896912050 653899212 /nfs/dbraw/zinc/89/92/12/653899212.db2.gz PORZPLISPRMVJB-UHFFFAOYSA-N 1 0 399.333 2.142 20 0 GEADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCc2ncc(C(=O)OC)s2)C1 ZINC000896933067 653900085 /nfs/dbraw/zinc/90/00/85/653900085.db2.gz WUBPPCOBUMEDAY-GHMZBOCLSA-N 1 0 376.425 2.429 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884977557 653902808 /nfs/dbraw/zinc/90/28/08/653902808.db2.gz WTWGLSOKJHBVHZ-LLVKDONJSA-N 1 0 377.794 2.043 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884977345 653902815 /nfs/dbraw/zinc/90/28/15/653902815.db2.gz PWKBWWNCELOLLV-NSHDSACASA-N 1 0 377.794 2.172 20 0 GEADRO COc1ccc(C[NH+]2CCC(CNS(=O)(=O)c3ccns3)CC2)cc1 ZINC000884983322 653903025 /nfs/dbraw/zinc/90/30/25/653903025.db2.gz HYGVRUZWCAKHJP-UHFFFAOYSA-N 1 0 381.523 2.342 20 0 GEADRO Cc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)nc1Br ZINC000794360221 653905153 /nfs/dbraw/zinc/90/51/53/653905153.db2.gz NJFMFJQUHFKECI-UHFFFAOYSA-N 1 0 383.290 2.481 20 0 GEADRO C[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@H]1CC[NH3+] ZINC000846693708 653906621 /nfs/dbraw/zinc/90/66/21/653906621.db2.gz JMSHLEZBMJYHHF-WFASDCNBSA-N 1 0 387.933 2.180 20 0 GEADRO CN1CCCC[C@H]1C[NH2+][C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000846702765 653906868 /nfs/dbraw/zinc/90/68/68/653906868.db2.gz PUYJJPZRPKFUJM-LSDHHAIUSA-N 1 0 380.286 2.155 20 0 GEADRO Nc1cc(C(=O)NC[C@@H]2CCN2Cc2ccccc2)cc(Br)n1 ZINC000824742924 653907069 /nfs/dbraw/zinc/90/70/69/653907069.db2.gz YKGFSDXFVWEPKS-AWEZNQCLSA-N 1 0 375.270 2.431 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)C1 ZINC000846726802 653907996 /nfs/dbraw/zinc/90/79/96/653907996.db2.gz ISAYMZXHIALANJ-XWIAVFTESA-N 1 0 375.916 2.434 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)C1 ZINC000846726799 653908012 /nfs/dbraw/zinc/90/80/12/653908012.db2.gz ISAYMZXHIALANJ-BVGQSLNGSA-N 1 0 375.916 2.434 20 0 GEADRO CSC1(CNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC[NH+](C)CC1 ZINC000867279798 653908407 /nfs/dbraw/zinc/90/84/07/653908407.db2.gz HUTOGUZHISOWBI-NSHDSACASA-N 1 0 375.387 2.317 20 0 GEADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C3(Br)CC3)C2)ccn1 ZINC000824797741 653908639 /nfs/dbraw/zinc/90/86/39/653908639.db2.gz OPOATRCYVIRSQA-HNNXBMFYSA-N 1 0 382.302 2.441 20 0 GEADRO O=C(c1cc2ccc(Br)cc2c(=O)o1)N1CC([NH+]2CCCC2)C1 ZINC000824866630 653910702 /nfs/dbraw/zinc/91/07/02/653910702.db2.gz QDKPYDBYIFCLKO-UHFFFAOYSA-N 1 0 377.238 2.476 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CCOCC1 ZINC000824897294 653911530 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Cc1nsc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000794738090 653917769 /nfs/dbraw/zinc/91/77/69/653917769.db2.gz BHMRVAZHQRAXSO-UHFFFAOYSA-N 1 0 379.917 2.442 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000885248872 653920019 /nfs/dbraw/zinc/92/00/19/653920019.db2.gz HHPRDTFBUZMJDT-UHFFFAOYSA-N 1 0 384.307 2.254 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000885249590 653920289 /nfs/dbraw/zinc/92/02/89/653920289.db2.gz WOMFMFFFUXDHBQ-DVOMOZLQSA-N 1 0 384.307 2.238 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000825196520 653920357 /nfs/dbraw/zinc/92/03/57/653920357.db2.gz IBKXWYMJUYUCAE-VXGBXAGGSA-N 1 0 387.933 2.274 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(F)(F)F ZINC000825202065 653920983 /nfs/dbraw/zinc/92/09/83/653920983.db2.gz PBDFOCMNZCZFFB-DGCLKSJQSA-N 1 0 377.794 2.084 20 0 GEADRO C[C@@H](NC(=O)c1c[nH]nc1I)[C@H](c1ccccc1)[NH+](C)C ZINC000897420668 653921342 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C[NH+]1CCC(OCC(=O)N2CCOC[C@H]2c2cccc(Br)c2)CC1 ZINC000825363451 653926622 /nfs/dbraw/zinc/92/66/22/653926622.db2.gz XXNXEJRZEQWYLI-KRWDZBQOSA-N 1 0 397.313 2.460 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000847400393 653927150 /nfs/dbraw/zinc/92/71/50/653927150.db2.gz WVNAHGZGSDMSNF-GFCCVEGCSA-N 1 0 378.416 2.440 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000847404581 653927423 /nfs/dbraw/zinc/92/74/23/653927423.db2.gz HSNQSDSXOOHZMU-LBPRGKRZSA-N 1 0 378.416 2.442 20 0 GEADRO C[C@H](O)c1ncc(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)s1 ZINC000897571888 653928037 /nfs/dbraw/zinc/92/80/37/653928037.db2.gz AAUJDLWDXIBCJR-LBPRGKRZSA-N 1 0 381.523 2.223 20 0 GEADRO Cc1nc(Cl)c(Cl)cc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000847437109 653928693 /nfs/dbraw/zinc/92/86/93/653928693.db2.gz FCGVBPDPGLRSBZ-UHFFFAOYSA-N 1 0 385.295 2.077 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000897585026 653928886 /nfs/dbraw/zinc/92/88/86/653928886.db2.gz LLRRSMIAAWUZGP-HNNXBMFYSA-N 1 0 379.448 2.014 20 0 GEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cnc(F)c(Br)c1 ZINC000847446992 653929075 /nfs/dbraw/zinc/92/90/75/653929075.db2.gz LISZJNZOWODLSF-UHFFFAOYSA-N 1 0 386.265 2.358 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847463312 653929645 /nfs/dbraw/zinc/92/96/45/653929645.db2.gz ILOZORGONDQKLO-AWEZNQCLSA-N 1 0 399.308 2.225 20 0 GEADRO C[C@@H]1C[N@H+](Cc2cnc(CCc3ccccc3)s2)C[C@H]1CS(N)(=O)=O ZINC000897607983 653930191 /nfs/dbraw/zinc/93/01/91/653930191.db2.gz UCPPIGBHPLJMDU-ZBFHGGJFSA-N 1 0 379.551 2.285 20 0 GEADRO C[C@@H]1C[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C[C@H]1CS(N)(=O)=O ZINC000897607358 653930211 /nfs/dbraw/zinc/93/02/11/653930211.db2.gz JSIMNKCRLWHOML-PWSUYJOCSA-N 1 0 384.395 2.123 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1nc(F)ccc1Br ZINC000847488120 653930716 /nfs/dbraw/zinc/93/07/16/653930716.db2.gz UGSFMMSQWPSQME-GFCCVEGCSA-N 1 0 386.265 2.356 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(I)nn1C ZINC000867425628 653930981 /nfs/dbraw/zinc/93/09/81/653930981.db2.gz JHFOMPCAOZEXJE-UHFFFAOYSA-N 1 0 392.285 2.219 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)n1 ZINC000825512383 653931977 /nfs/dbraw/zinc/93/19/77/653931977.db2.gz CPOGKGKGICFESC-UHFFFAOYSA-N 1 0 384.318 2.365 20 0 GEADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(Br)cn3ncnc23)C12CCC2 ZINC000825518801 653932309 /nfs/dbraw/zinc/93/23/09/653932309.db2.gz DPRRRZNQQHEWHG-QWHCGFSZSA-N 1 0 378.274 2.094 20 0 GEADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc(=O)n(C)cc1Br ZINC000825586818 653934631 /nfs/dbraw/zinc/93/46/31/653934631.db2.gz LFIDRGSUKBFCIQ-CHWSQXEVSA-N 1 0 384.318 2.483 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847607956 653936954 /nfs/dbraw/zinc/93/69/54/653936954.db2.gz PQNSLFALRBCFOS-JSGCOSHPSA-N 1 0 395.301 2.224 20 0 GEADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)Nc3n[nH]cc3Br)cc21 ZINC000897764495 653937246 /nfs/dbraw/zinc/93/72/46/653937246.db2.gz IDNQMONCRPWSMD-UHFFFAOYSA-N 1 0 393.245 2.041 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H]2CCSC(C)(C)C2)CC1 ZINC000897795564 653938215 /nfs/dbraw/zinc/93/82/15/653938215.db2.gz QTASYNRLCIKZAO-HNNXBMFYSA-N 1 0 386.587 2.443 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)[nH]nc1I ZINC000897791985 653938235 /nfs/dbraw/zinc/93/82/35/653938235.db2.gz BKTAIKPUHBSNIM-SECBINFHSA-N 1 0 378.258 2.173 20 0 GEADRO CS[C@H]1CN(C(=O)Cc2ccn(CC(F)(F)F)n2)C[C@@H]1[NH+]1CCCC1 ZINC000897835570 653939743 /nfs/dbraw/zinc/93/97/43/653939743.db2.gz OJLBOWFFGOHXNR-KBPBESRZSA-N 1 0 376.448 2.026 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897847033 653940228 /nfs/dbraw/zinc/94/02/28/653940228.db2.gz QAVLYQLCHQWMGQ-KMUNFCNLSA-N 1 0 381.270 2.082 20 0 GEADRO C[NH+](C)[C@@]1(CNc2ccc(Br)cc2-c2nn[nH]n2)CCSC1 ZINC000825851650 653942484 /nfs/dbraw/zinc/94/24/84/653942484.db2.gz WXSHMHYHKGFURW-CQSZACIVSA-N 1 0 383.319 2.478 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847751798 653943669 /nfs/dbraw/zinc/94/36/69/653943669.db2.gz HXOICBTZCSRIJV-UHFFFAOYSA-N 1 0 387.297 2.129 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897938352 653945172 /nfs/dbraw/zinc/94/51/72/653945172.db2.gz QKCFRKQLRBSAJD-QGZVFWFLSA-N 1 0 397.313 2.052 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCSCCC(F)(F)F ZINC000867524566 653945163 /nfs/dbraw/zinc/94/51/63/653945163.db2.gz NQFYCXCWFUVEPK-CYBMUJFWSA-N 1 0 383.480 2.121 20 0 GEADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1csc(I)n1 ZINC000826049507 653945784 /nfs/dbraw/zinc/94/57/84/653945784.db2.gz SOEUHDMFLRFWAW-SECBINFHSA-N 1 0 379.267 2.304 20 0 GEADRO Cc1c(Br)cncc1C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000826037275 653945792 /nfs/dbraw/zinc/94/57/92/653945792.db2.gz ZDTZZBVUVQCYNW-CYBMUJFWSA-N 1 0 388.306 2.470 20 0 GEADRO C[N@@H+]1CC[C@H](CCOC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000847824793 653946355 /nfs/dbraw/zinc/94/63/55/653946355.db2.gz NJQPHPHYLGKQKK-CYBMUJFWSA-N 1 0 386.901 2.379 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)[C@H]1SC ZINC000897978526 653947608 /nfs/dbraw/zinc/94/76/08/653947608.db2.gz PDWBHWMPQBNQNI-UMSGYPCISA-N 1 0 386.315 2.206 20 0 GEADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000897979048 653947987 /nfs/dbraw/zinc/94/79/87/653947987.db2.gz WUWBDHHAMGNZGR-ZIAGYGMSSA-N 1 0 396.285 2.025 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000898036384 653950356 /nfs/dbraw/zinc/95/03/56/653950356.db2.gz CUCMYLFUILYZMC-BXUZGUMPSA-N 1 0 380.286 2.475 20 0 GEADRO Cn1nnnc1CCC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000898036329 653950566 /nfs/dbraw/zinc/95/05/66/653950566.db2.gz CEMXPPMZOONISK-UHFFFAOYSA-N 1 0 376.205 2.296 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1nccc2c(Br)cccc21 ZINC000898069544 653951951 /nfs/dbraw/zinc/95/19/51/653951951.db2.gz WVVCPCQHLFLWHN-KRWDZBQOSA-N 1 0 380.286 2.430 20 0 GEADRO C[C@@H](COC(=O)c1cnn(C)c1I)[NH+]1CCCCC1 ZINC000847963690 653953415 /nfs/dbraw/zinc/95/34/15/653953415.db2.gz UEJFYPAHADVTHJ-JTQLQIEISA-N 1 0 377.226 2.056 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898109405 653954020 /nfs/dbraw/zinc/95/40/20/653954020.db2.gz AYBQYTWTARTGSJ-UHFFFAOYSA-N 1 0 399.304 2.484 20 0 GEADRO Ic1cnc(C[NH2+][C@H]2CCOC23CCOCC3)s1 ZINC000898116618 653954535 /nfs/dbraw/zinc/95/45/35/653954535.db2.gz SJKROMBYCJYBSN-VIFPVBQESA-N 1 0 380.251 2.175 20 0 GEADRO C[NH+]1CCC(OCC(=O)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000826613055 653954595 /nfs/dbraw/zinc/95/45/95/653954595.db2.gz WRWRHQMQDXQRIK-UHFFFAOYSA-N 1 0 383.286 2.281 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000867583068 653956292 /nfs/dbraw/zinc/95/62/92/653956292.db2.gz VCDVAXAXMZMTKV-UHFFFAOYSA-N 1 0 378.897 2.458 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000867582274 653956377 /nfs/dbraw/zinc/95/63/77/653956377.db2.gz SSJHVHXZMAFAEJ-UHFFFAOYSA-N 1 0 383.539 2.275 20 0 GEADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000848063994 653957832 /nfs/dbraw/zinc/95/78/32/653957832.db2.gz LGEKLPHACFIGCY-MRXNPFEDSA-N 1 0 378.344 2.409 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(Br)cn2ncnc12 ZINC000826750378 653959415 /nfs/dbraw/zinc/95/94/15/653959415.db2.gz DRPVTTWFPJNGAW-ZDUSSCGKSA-N 1 0 392.301 2.344 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cccnc1C ZINC000898257196 653960671 /nfs/dbraw/zinc/96/06/71/653960671.db2.gz PLDGUJXIDHZQMN-HNNXBMFYSA-N 1 0 382.917 2.240 20 0 GEADRO O=C(COc1ccccc1Br)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885875784 653961342 /nfs/dbraw/zinc/96/13/42/653961342.db2.gz LVKNOYCUQIUOPS-CQSZACIVSA-N 1 0 383.286 2.197 20 0 GEADRO COc1cc(Br)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000885896113 653962480 /nfs/dbraw/zinc/96/24/80/653962480.db2.gz UVDTWJWNINCIQX-HNNXBMFYSA-N 1 0 383.286 2.441 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc2c(Br)cnn2c1 ZINC000885895825 653962489 /nfs/dbraw/zinc/96/24/89/653962489.db2.gz ODRJEWWNXXASFT-CQSZACIVSA-N 1 0 393.285 2.080 20 0 GEADRO O=Cc1cc(Br)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000885892917 653962538 /nfs/dbraw/zinc/96/25/38/653962538.db2.gz GOZYKDFGRWVURK-INIZCTEOSA-N 1 0 381.270 2.245 20 0 GEADRO O=Cc1cc(Br)cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000885892918 653962622 /nfs/dbraw/zinc/96/26/22/653962622.db2.gz GOZYKDFGRWVURK-MRXNPFEDSA-N 1 0 381.270 2.245 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC000885895589 653962699 /nfs/dbraw/zinc/96/26/99/653962699.db2.gz IAGMUJSJNGFLFH-CYBMUJFWSA-N 1 0 385.306 2.210 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)c(Br)c1 ZINC000898329233 653963513 /nfs/dbraw/zinc/96/35/13/653963513.db2.gz IAJMKYGPESUUER-LLVKDONJSA-N 1 0 382.258 2.461 20 0 GEADRO Cc1nc(NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)sc1SCC(N)=O ZINC000826901641 653965489 /nfs/dbraw/zinc/96/54/89/653965489.db2.gz ADJVXVSOEOOAJU-SNVBAGLBSA-N 1 0 399.929 2.414 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C[C@](C)(O)C(F)F)C2)cc1 ZINC000886059657 653966029 /nfs/dbraw/zinc/96/60/29/653966029.db2.gz KASDADFCGPSRBP-YOEHRIQHSA-N 1 0 376.469 2.001 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c(F)cc1Cl ZINC000795790135 653966729 /nfs/dbraw/zinc/96/67/29/653966729.db2.gz NXWUPVSFPILPKN-SNVBAGLBSA-N 1 0 378.853 2.028 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000826950542 653967665 /nfs/dbraw/zinc/96/76/65/653967665.db2.gz RCYHCKKKSOHFQE-WCQYABFASA-N 1 0 378.270 2.182 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c(F)cc1Cl ZINC000795822945 653968443 /nfs/dbraw/zinc/96/84/43/653968443.db2.gz LFTSAMPPLXZNTI-UHFFFAOYSA-N 1 0 392.880 2.228 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CN(Cc2ccccc2)C1 ZINC000827048802 653972182 /nfs/dbraw/zinc/97/21/82/653972182.db2.gz QYORSGLKLVFSQP-GDBMZVCRSA-N 1 0 378.460 2.464 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CN(Cc2ccccc2)C1 ZINC000827048809 653972245 /nfs/dbraw/zinc/97/22/45/653972245.db2.gz QYORSGLKLVFSQP-ZBFHGGJFSA-N 1 0 378.460 2.464 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1Cl ZINC000795860406 653972254 /nfs/dbraw/zinc/97/22/54/653972254.db2.gz FNLGNZCGRNYGGW-ZJUUUORDSA-N 1 0 378.853 2.027 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2c[nH]nc2Br)[C@H](c2cnn(C)c2)C1 ZINC000898479930 653972558 /nfs/dbraw/zinc/97/25/58/653972558.db2.gz KUHPCGVFEYCOCD-STQMWFEESA-N 1 0 395.305 2.358 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1ccc(SC)cc1)CCS2(=O)=O ZINC000898492937 653974011 /nfs/dbraw/zinc/97/40/11/653974011.db2.gz IYNQCAXCRCHBOD-CSLYMUCUSA-N 1 0 383.535 2.397 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795878457 653974440 /nfs/dbraw/zinc/97/44/40/653974440.db2.gz VEKPXNBIQZHFDW-LLVKDONJSA-N 1 0 392.880 2.418 20 0 GEADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1Br ZINC000886251934 653974453 /nfs/dbraw/zinc/97/44/53/653974453.db2.gz OMOBBLZZQKMHIP-NAMSACQYSA-N 1 0 392.265 2.244 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C(C)C ZINC000848450203 653977062 /nfs/dbraw/zinc/97/70/62/653977062.db2.gz UXRAFWVKLNFOJB-UHFFFAOYSA-N 1 0 380.869 2.274 20 0 GEADRO CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000827149368 653977535 /nfs/dbraw/zinc/97/75/35/653977535.db2.gz HGCXSNNLTGXIKS-PBHICJAKSA-N 1 0 398.301 2.360 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000886309205 653977795 /nfs/dbraw/zinc/97/77/95/653977795.db2.gz WKMWFKHZOJXHHF-UONOGXRCSA-N 1 0 389.949 2.499 20 0 GEADRO CC1(C)CO[C@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000886305604 653977908 /nfs/dbraw/zinc/97/79/08/653977908.db2.gz MCQPVODCLKGUGA-GFCCVEGCSA-N 1 0 391.331 2.391 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c(F)cc1Cl ZINC000795940595 653978734 /nfs/dbraw/zinc/97/87/34/653978734.db2.gz TWUVUYNOTKUDIR-NSHDSACASA-N 1 0 392.880 2.418 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)s1 ZINC000867742962 653979706 /nfs/dbraw/zinc/97/97/06/653979706.db2.gz CIXNPIAQIBITIP-UHFFFAOYSA-N 1 0 390.527 2.085 20 0 GEADRO CN(C(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000898660495 653979665 /nfs/dbraw/zinc/97/96/65/653979665.db2.gz WNWUHRRAQFRRMG-CQSZACIVSA-N 1 0 384.307 2.347 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000848474859 653979920 /nfs/dbraw/zinc/97/99/20/653979920.db2.gz KBSKYNGWDFWCAE-WAAGHKOSSA-N 1 0 382.711 2.116 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(I)n1 ZINC000827209632 653981222 /nfs/dbraw/zinc/98/12/22/653981222.db2.gz CWLSFZDAZPTCBE-VIFPVBQESA-N 1 0 379.267 2.352 20 0 GEADRO Brc1c[nH]c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)n1 ZINC000898720965 653982089 /nfs/dbraw/zinc/98/20/89/653982089.db2.gz PEWWFNKDVFOAMC-SSDOTTSWSA-N 1 0 375.068 2.236 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000898719939 653982096 /nfs/dbraw/zinc/98/20/96/653982096.db2.gz IHYOGLHSPQVDEL-LBPRGKRZSA-N 1 0 384.299 2.154 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)CC[C@@H]21 ZINC000827234508 653982432 /nfs/dbraw/zinc/98/24/32/653982432.db2.gz YASQXRAWBPVGMS-IEAZIUSSSA-N 1 0 394.313 2.474 20 0 GEADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cnc(C3OCCO3)s1)CC2 ZINC000898723521 653982717 /nfs/dbraw/zinc/98/27/17/653982717.db2.gz GBBOYWIWUQIUFI-SECBINFHSA-N 1 0 385.287 2.252 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)CC[C@H]21 ZINC000827330195 653986118 /nfs/dbraw/zinc/98/61/18/653986118.db2.gz KOSZWZTYEGONRR-SMDDNHRTSA-N 1 0 381.270 2.387 20 0 GEADRO [NH3+][C@@H](CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C1CC1 ZINC000827352119 653987460 /nfs/dbraw/zinc/98/74/60/653987460.db2.gz XUQKJETXRKSYMF-OCCSQVGLSA-N 1 0 395.301 2.149 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cnn3cc(Br)cnc23)C12CCC2 ZINC000898836952 653987677 /nfs/dbraw/zinc/98/76/77/653987677.db2.gz XWDYBAAUDVEOBG-OLZOCXBDSA-N 1 0 378.274 2.094 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCOc2cccc(Br)c2C1 ZINC000848605101 653988769 /nfs/dbraw/zinc/98/87/69/653988769.db2.gz ITZSGCOFXMBWTQ-ZDUSSCGKSA-N 1 0 390.228 2.350 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1Cl ZINC000867806062 653989664 /nfs/dbraw/zinc/98/96/64/653989664.db2.gz DKINXYQEGGAYCC-MNOVXSKESA-N 1 0 392.930 2.211 20 0 GEADRO Cc1cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cnc1Br ZINC000827409190 653990166 /nfs/dbraw/zinc/99/01/66/653990166.db2.gz DAUIOILKNVEMDC-UHFFFAOYSA-N 1 0 382.302 2.479 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(Br)c1 ZINC000867808052 653990370 /nfs/dbraw/zinc/99/03/70/653990370.db2.gz LOUZNWCXLZJRTK-FZMZJTMJSA-N 1 0 389.315 2.172 20 0 GEADRO OC1(C[NH+]2CCOCC2)CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000848675999 653990521 /nfs/dbraw/zinc/99/05/21/653990521.db2.gz HLFHEVFYCXKUFJ-UHFFFAOYSA-N 1 0 379.810 2.417 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000867811182 653990950 /nfs/dbraw/zinc/99/09/50/653990950.db2.gz ALRYLIQBGSPQFE-DZGCQCFKSA-N 1 0 378.416 2.441 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000867809909 653991074 /nfs/dbraw/zinc/99/10/74/653991074.db2.gz VNJDVEDLMFUHFI-SWLSCSKDSA-N 1 0 386.901 2.150 20 0 GEADRO COc1ccc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c(Br)c1 ZINC000827462331 653993313 /nfs/dbraw/zinc/99/33/13/653993313.db2.gz MXXOUBLOIJJUFE-UHFFFAOYSA-N 1 0 396.329 2.310 20 0 GEADRO CN1CC[NH+](C2CCN(C(=O)c3ccc(Br)cc3F)CC2)CC1 ZINC000827468456 653993340 /nfs/dbraw/zinc/99/33/40/653993340.db2.gz VYHSKBOHPALQDH-UHFFFAOYSA-N 1 0 384.293 2.440 20 0 GEADRO CC(C)C[C@H](CNC(=O)c1csc(I)n1)[NH+](C)C ZINC000827488199 653994421 /nfs/dbraw/zinc/99/44/21/653994421.db2.gz DOJBLLNVLWTSGQ-SECBINFHSA-N 1 0 381.283 2.454 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000796264919 653994479 /nfs/dbraw/zinc/99/44/79/653994479.db2.gz ZLMJUJJZXQBJJM-UHFFFAOYSA-N 1 0 377.297 2.155 20 0 GEADRO C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(Br)ccc1F ZINC000886695966 653994623 /nfs/dbraw/zinc/99/46/23/653994623.db2.gz CQWBYQCJYXGBPF-JTQLQIEISA-N 1 0 394.248 2.223 20 0 GEADRO C[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000886698917 653994920 /nfs/dbraw/zinc/99/49/20/653994920.db2.gz PPAUITNZYKLDCV-GRYCIOLGSA-N 1 0 377.901 2.467 20 0 GEADRO O=c1[nH]ccn2c(C[NH2+][C@H](Cc3ccccc3Br)C3CC3)nnc12 ZINC000886704527 653995201 /nfs/dbraw/zinc/99/52/01/653995201.db2.gz IBYPMVVTWRYGDE-CQSZACIVSA-N 1 0 388.269 2.291 20 0 GEADRO Cc1cc([C@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)sc1Br ZINC000796292543 653995382 /nfs/dbraw/zinc/99/53/82/653995382.db2.gz YTOMSGCHVALWPK-NSHDSACASA-N 1 0 397.360 2.132 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000886706493 653995549 /nfs/dbraw/zinc/99/55/49/653995549.db2.gz ZHMLXKCHXSLICV-ZDUSSCGKSA-N 1 0 376.258 2.291 20 0 GEADRO COC[C@H](NS(=O)(=O)CCC[NH+](C)C)c1cccc(Br)c1 ZINC000867839676 653996037 /nfs/dbraw/zinc/99/60/37/653996037.db2.gz KAMMVVIVHICLQL-AWEZNQCLSA-N 1 0 379.320 2.008 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+]Cc3c(Cl)nc4cc(Cl)ccn43)CC2)N1 ZINC000796515517 653999756 /nfs/dbraw/zinc/99/97/56/653999756.db2.gz GTPIIGVEKFWCTH-UHFFFAOYSA-N 1 0 382.251 2.252 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)NCCS(=O)(=O)c2ccccc2)cc(Cl)n1 ZINC000827683530 654003603 /nfs/dbraw/zinc/00/36/03/654003603.db2.gz KAVQUGGOMYADBV-OAHLLOKOSA-N 1 0 381.885 2.023 20 0 GEADRO CS(=O)(=O)C1(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CCC1 ZINC000849094615 654003952 /nfs/dbraw/zinc/00/39/52/654003952.db2.gz DHXJIXKONMFKIP-UHFFFAOYSA-N 1 0 379.404 2.166 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(N)nc(Br)c2)CCN1c1cc[nH+]cc1 ZINC000899205146 654004085 /nfs/dbraw/zinc/00/40/85/654004085.db2.gz LIZBZLMIBVYGIO-NSHDSACASA-N 1 0 376.258 2.172 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=[NH2+])N2CCO[C@H](C)C2)cc1Br ZINC000849115504 654005238 /nfs/dbraw/zinc/00/52/38/654005238.db2.gz WQZGQHDHACGRQF-UKRRQHHQSA-N 1 0 384.318 2.154 20 0 GEADRO CC[NH+](CC)CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000849167989 654006214 /nfs/dbraw/zinc/00/62/14/654006214.db2.gz HOEIVRVGQAKYPD-HNNXBMFYSA-N 1 0 388.555 2.342 20 0 GEADRO CC(=O)N[C@@H](C(=O)NCC[N@H+]1CC=CCC1)c1cccc(Br)c1 ZINC000867921641 654007449 /nfs/dbraw/zinc/00/74/49/654007449.db2.gz NUIYZWHHBTWEQV-MRXNPFEDSA-N 1 0 380.286 2.004 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000886894510 654007498 /nfs/dbraw/zinc/00/74/98/654007498.db2.gz SVCABXHPTLZSCY-UHFFFAOYSA-N 1 0 388.898 2.338 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc2nc(Cl)sc2c1 ZINC000886896906 654007828 /nfs/dbraw/zinc/00/78/28/654007828.db2.gz YKQGEKGDQPIXHH-MRVPVSSYSA-N 1 0 381.857 2.473 20 0 GEADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886897578 654007849 /nfs/dbraw/zinc/00/78/49/654007849.db2.gz BAGDLMPZZMHGBF-JTQLQIEISA-N 1 0 383.258 2.281 20 0 GEADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886899943 654008303 /nfs/dbraw/zinc/00/83/03/654008303.db2.gz ZFGVAWKDKWMNKX-GFCCVEGCSA-N 1 0 397.285 2.422 20 0 GEADRO COc1c(C)cc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)cc1Cl ZINC000796797513 654008475 /nfs/dbraw/zinc/00/84/75/654008475.db2.gz HYVJJRMPXRMNNE-LBPRGKRZSA-N 1 0 387.889 2.415 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(c2ccccn2)CC1)c1cccc(Br)c1 ZINC000867953822 654010089 /nfs/dbraw/zinc/01/00/89/654010089.db2.gz FHSALQLHUGOFFD-MRXNPFEDSA-N 1 0 375.270 2.193 20 0 GEADRO Cn1cc(C[C@@H]2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)C2)cn1 ZINC000867958323 654010524 /nfs/dbraw/zinc/01/05/24/654010524.db2.gz OJIMNZPIIMTTCH-BLLLJJGKSA-N 1 0 377.286 2.274 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])c1cccc(Br)c1 ZINC000867966289 654011412 /nfs/dbraw/zinc/01/14/12/654011412.db2.gz NPHMUJVWQOGQRI-RLCCDNCMSA-N 1 0 382.302 2.355 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C1CC1)C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000867967194 654011434 /nfs/dbraw/zinc/01/14/34/654011434.db2.gz YMQDNMBCXYZYAV-QGZVFWFLSA-N 1 0 394.313 2.369 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccc(Br)c1 ZINC000867971605 654011882 /nfs/dbraw/zinc/01/18/82/654011882.db2.gz SJOMVEJJFJVCIY-SJLPKXTDSA-N 1 0 394.313 2.228 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)c1cccc(Br)c1 ZINC000867973243 654012190 /nfs/dbraw/zinc/01/21/90/654012190.db2.gz VBSHESZXYFBWBE-LSDHHAIUSA-N 1 0 382.302 2.131 20 0 GEADRO COc1cc(I)ccc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000867975026 654012272 /nfs/dbraw/zinc/01/22/72/654012272.db2.gz PCKGYSQVMQFMRR-ZDUSSCGKSA-N 1 0 386.233 2.172 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000867980747 654012742 /nfs/dbraw/zinc/01/27/42/654012742.db2.gz XYBYRRCBOJUIKK-RYUDHWBXSA-N 1 0 396.207 2.022 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886986214 654012931 /nfs/dbraw/zinc/01/29/31/654012931.db2.gz AXQAIAIPAUBEAM-CMPLNLGQSA-N 1 0 376.254 2.489 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H]1CC[NH2+]C12CCCC2)c1cccc(Br)c1 ZINC000867982314 654013018 /nfs/dbraw/zinc/01/30/18/654013018.db2.gz OWKKKDQKXOSBLP-CVEARBPZSA-N 1 0 394.313 2.417 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000849328021 654012996 /nfs/dbraw/zinc/01/29/96/654012996.db2.gz VWKJSCLXZJEIII-AWEZNQCLSA-N 1 0 394.306 2.426 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000849328421 654013380 /nfs/dbraw/zinc/01/33/80/654013380.db2.gz ZSECEEWCKJBFES-AWEZNQCLSA-N 1 0 376.316 2.287 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@@H]1CC2(CO1)CCOCC2)c1cccc(Br)c1 ZINC000867993381 654013463 /nfs/dbraw/zinc/01/34/63/654013463.db2.gz RFOYAJAIOWGOBM-LSDHHAIUSA-N 1 0 383.286 2.151 20 0 GEADRO COC[C@H](NC(=O)C1(COC)CC[NH2+]CC1)c1cccc(Br)c1 ZINC000868024471 654014903 /nfs/dbraw/zinc/01/49/03/654014903.db2.gz NWPRHCOHIQDLAU-HNNXBMFYSA-N 1 0 385.302 2.269 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1 ZINC000849348839 654015024 /nfs/dbraw/zinc/01/50/24/654015024.db2.gz FGHASYUMYDVZQR-NWDGAFQWSA-N 1 0 388.452 2.389 20 0 GEADRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000868032042 654015162 /nfs/dbraw/zinc/01/51/62/654015162.db2.gz OUWXGAKNZLFNLG-JSGCOSHPSA-N 1 0 376.400 2.194 20 0 GEADRO COCCC1(NC(=O)c2cccc(I)c2)CC[NH2+]CC1 ZINC000868039265 654015476 /nfs/dbraw/zinc/01/54/76/654015476.db2.gz RJMZNOLYKQNXNO-UHFFFAOYSA-N 1 0 388.249 2.180 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000887032540 654015662 /nfs/dbraw/zinc/01/56/62/654015662.db2.gz CGKRRMXMJWGLHR-SNVBAGLBSA-N 1 0 390.228 2.057 20 0 GEADRO COCCC1(NC(=O)c2csc(I)c2)CC[NH2+]CC1 ZINC000868042207 654015796 /nfs/dbraw/zinc/01/57/96/654015796.db2.gz MYGKRSIVBBPFMT-UHFFFAOYSA-N 1 0 394.278 2.241 20 0 GEADRO COCCC1(NC(=O)c2cnn(C(C)(C)C)c2Br)CC[NH2+]CC1 ZINC000868043515 654015803 /nfs/dbraw/zinc/01/58/03/654015803.db2.gz KQQDYOMDCBBZLR-UHFFFAOYSA-N 1 0 387.322 2.289 20 0 GEADRO COCCC1(NC(=O)[C@@H](C)Oc2ccccc2Br)CC[NH2+]CC1 ZINC000868041920 654015843 /nfs/dbraw/zinc/01/58/43/654015843.db2.gz HALSDRNHDQLKBK-CYBMUJFWSA-N 1 0 385.302 2.491 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000887034548 654015909 /nfs/dbraw/zinc/01/59/09/654015909.db2.gz ZNOSASNZIFIKNX-VIFPVBQESA-N 1 0 377.844 2.361 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000887035032 654015929 /nfs/dbraw/zinc/01/59/29/654015929.db2.gz FEGOBODIWCMYCU-JTQLQIEISA-N 1 0 390.228 2.057 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000887035046 654015943 /nfs/dbraw/zinc/01/59/43/654015943.db2.gz FMBAGTVAHACXKF-SSDOTTSWSA-N 1 0 384.185 2.432 20 0 GEADRO COc1cc(I)ccc1C(=O)NOC1CC[NH+](C)CC1 ZINC000868090435 654018123 /nfs/dbraw/zinc/01/81/23/654018123.db2.gz ITROLQCNGBQLGY-UHFFFAOYSA-N 1 0 390.221 2.055 20 0 GEADRO Cc1ncsc1CN(C)C(=O)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000887075284 654019787 /nfs/dbraw/zinc/01/97/87/654019787.db2.gz AQMAWEWPVYYRTO-UHFFFAOYSA-N 1 0 380.901 2.051 20 0 GEADRO C[NH2+]Cc1ccc(NC(=O)NCc2c(I)cnn2C)cc1 ZINC000868169192 654021721 /nfs/dbraw/zinc/02/17/21/654021721.db2.gz WRNJWLDSIKAZFS-UHFFFAOYSA-N 1 0 399.236 2.066 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1nc(Br)sc1Cl ZINC000868243352 654024891 /nfs/dbraw/zinc/02/48/91/654024891.db2.gz IDCKZDIVHIBQIM-QMMMGPOBSA-N 1 0 382.711 2.136 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000868247650 654024945 /nfs/dbraw/zinc/02/49/45/654024945.db2.gz HTBAAIHEEQRBIF-LBPRGKRZSA-N 1 0 386.290 2.228 20 0 GEADRO [NH3+]Cc1cc(NC(=O)C(=O)NCC[C@@H]2CCSC2)cc(C(F)(F)F)c1 ZINC000868257468 654025468 /nfs/dbraw/zinc/02/54/68/654025468.db2.gz MKWHNELRJQLOMS-SNVBAGLBSA-N 1 0 375.416 2.362 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000849411331 654026481 /nfs/dbraw/zinc/02/64/81/654026481.db2.gz FJNZCRDZJHILLC-SNVBAGLBSA-N 1 0 376.935 2.448 20 0 GEADRO O=C(NCCSCCC(F)(F)F)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000868272844 654026964 /nfs/dbraw/zinc/02/69/64/654026964.db2.gz LHFFXIMMGQDTSL-CYBMUJFWSA-N 1 0 383.480 2.472 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000868304526 654029464 /nfs/dbraw/zinc/02/94/64/654029464.db2.gz PQWDQPHSMCSKOA-GVJMRKKJSA-N 1 0 394.191 2.260 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000868307282 654029690 /nfs/dbraw/zinc/02/96/90/654029690.db2.gz WFRIPRFJCTZDDA-ZSBIGDGJSA-N 1 0 376.507 2.457 20 0 GEADRO C[N@@H+]1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1(C)C ZINC000887301114 654029898 /nfs/dbraw/zinc/02/98/98/654029898.db2.gz NLVPLBFAGDMPLR-CQSZACIVSA-N 1 0 380.286 2.107 20 0 GEADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1ncc(Br)s1 ZINC000868316456 654030405 /nfs/dbraw/zinc/03/04/05/654030405.db2.gz IWEBQGDMVIIFRC-UHFFFAOYSA-N 1 0 397.298 2.270 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1nc(C2CC2)ncc1Br ZINC000887404128 654032899 /nfs/dbraw/zinc/03/28/99/654032899.db2.gz WISGRTMKMKIBIJ-VIFPVBQESA-N 1 0 375.217 2.091 20 0 GEADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3c(F)ccc(Br)c3F)nn2)C1 ZINC000887448612 654035175 /nfs/dbraw/zinc/03/51/75/654035175.db2.gz BEEBNLJPFHBWRT-SNVBAGLBSA-N 1 0 386.244 2.290 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@H](O)CC2(O)CCCC2)nn1)c1ccc(Br)cc1 ZINC000887453643 654035417 /nfs/dbraw/zinc/03/54/17/654035417.db2.gz DZWNXFMSJIZCAL-GDBMZVCRSA-N 1 0 395.301 2.145 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH+]2CC(Cc3ccsc3)C2)CCC1 ZINC000899890656 654036161 /nfs/dbraw/zinc/03/61/61/654036161.db2.gz BMUXBNNOVFZRDR-INIZCTEOSA-N 1 0 386.583 2.224 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000797770277 654040700 /nfs/dbraw/zinc/04/07/00/654040700.db2.gz NTOAMXLZPVHMEF-LLVKDONJSA-N 1 0 388.331 2.200 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000868519497 654041180 /nfs/dbraw/zinc/04/11/80/654041180.db2.gz BVTBJMGLFYBIIW-ZWNOBZJWSA-N 1 0 386.233 2.076 20 0 GEADRO O=C(NCCC1SCCS1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000828699163 654046026 /nfs/dbraw/zinc/04/60/26/654046026.db2.gz UIUYXJMFPBQIDK-UHFFFAOYSA-N 1 0 385.599 2.212 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2CSCCS2)[C@@H](c2cnn(C)c2)C1 ZINC000849558007 654046325 /nfs/dbraw/zinc/04/63/25/654046325.db2.gz KQUOBKOEDLVVMN-YESZJQIVSA-N 1 0 382.599 2.199 20 0 GEADRO C[NH+](C)CC1CN(C(=O)c2cc(Br)ncc2Br)C1 ZINC000868631235 654047084 /nfs/dbraw/zinc/04/70/84/654047084.db2.gz QCJZOJCPKISBCV-UHFFFAOYSA-N 1 0 377.080 2.240 20 0 GEADRO CN(CCC[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O)C(=O)OC(C)(C)C ZINC000797946802 654047108 /nfs/dbraw/zinc/04/71/08/654047108.db2.gz FVVWJVWGSQYZTA-OAHLLOKOSA-N 1 0 377.551 2.037 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000900138459 654051414 /nfs/dbraw/zinc/05/14/14/654051414.db2.gz LUTKJCKFSOXPSI-XIKOKIGWSA-N 1 0 392.297 2.270 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000900164955 654052507 /nfs/dbraw/zinc/05/25/07/654052507.db2.gz ANZOLLXUBAWRSS-VFZGUZRASA-N 1 0 376.341 2.467 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000868761465 654055019 /nfs/dbraw/zinc/05/50/19/654055019.db2.gz CRHDEILZHYFSAN-PWECECGKSA-N 1 0 383.480 2.394 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000887900295 654056332 /nfs/dbraw/zinc/05/63/32/654056332.db2.gz MQJKZPQCOFWSMK-UHFFFAOYSA-N 1 0 395.301 2.441 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000798319654 654058344 /nfs/dbraw/zinc/05/83/44/654058344.db2.gz JCIWETBFAKKEBW-BETUJISGSA-N 1 0 387.933 2.085 20 0 GEADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000868868698 654059648 /nfs/dbraw/zinc/05/96/48/654059648.db2.gz KJRHHAUDOUAEBU-INIZCTEOSA-N 1 0 395.301 2.013 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000900338772 654059802 /nfs/dbraw/zinc/05/98/02/654059802.db2.gz HPZVJGWXFPMZRQ-PBHICJAKSA-N 1 0 383.286 2.236 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000900343749 654059875 /nfs/dbraw/zinc/05/98/75/654059875.db2.gz FZJRVJVHEHWLIE-NWDGAFQWSA-N 1 0 380.290 2.342 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000829208023 654062231 /nfs/dbraw/zinc/06/22/31/654062231.db2.gz MXAMSBXQYMFJPX-LBPRGKRZSA-N 1 0 378.416 2.394 20 0 GEADRO CC(C)n1ncc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c1Br ZINC000829213544 654062457 /nfs/dbraw/zinc/06/24/57/654062457.db2.gz QZOZLJQTFNYXBD-UHFFFAOYSA-N 1 0 399.333 2.411 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)/C=C\Cn1cncn1 ZINC000900417572 654062910 /nfs/dbraw/zinc/06/29/10/654062910.db2.gz IQCJFYODZONLOB-ARJAWSKDSA-N 1 0 392.301 2.187 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1nc(F)ccc1Br ZINC000829235528 654063073 /nfs/dbraw/zinc/06/30/73/654063073.db2.gz LDGZNOQGVYIHIX-UHFFFAOYSA-N 1 0 386.265 2.168 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000900427844 654063154 /nfs/dbraw/zinc/06/31/54/654063154.db2.gz AADQADSJCUICPS-UHFFFAOYSA-N 1 0 387.311 2.451 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1ccc(Br)cc1O ZINC000829247126 654063433 /nfs/dbraw/zinc/06/34/33/654063433.db2.gz HVYRJDTVWTXISV-UHFFFAOYSA-N 1 0 397.313 2.268 20 0 GEADRO CCn1c(Br)ncc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000900440759 654063944 /nfs/dbraw/zinc/06/39/44/654063944.db2.gz XPIVITLDTIQTBF-UHFFFAOYSA-N 1 0 399.333 2.240 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900443818 654064342 /nfs/dbraw/zinc/06/43/42/654064342.db2.gz XZGLSZDSLYICQM-UHFFFAOYSA-N 1 0 398.345 2.490 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000900460061 654064908 /nfs/dbraw/zinc/06/49/08/654064908.db2.gz LMBJRRFPYMTJEB-UHFFFAOYSA-N 1 0 387.311 2.356 20 0 GEADRO C[C@@H]1[C@H]([NH2+]Cc2cc(Br)nn2C)CC(=O)N1Cc1ccccc1 ZINC000798505048 654066546 /nfs/dbraw/zinc/06/65/46/654066546.db2.gz ICLPSEOUESQDPP-IUODEOHRSA-N 1 0 377.286 2.462 20 0 GEADRO O=C(NCCSCCC(F)(F)F)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000869062977 654067746 /nfs/dbraw/zinc/06/77/46/654067746.db2.gz HIMHEVOQXUNPRZ-UONOGXRCSA-N 1 0 383.480 2.349 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc(=O)n(C)cc1Br ZINC000829484550 654068744 /nfs/dbraw/zinc/06/87/44/654068744.db2.gz NKOBWSPSXVHNFL-UHFFFAOYSA-N 1 0 384.318 2.486 20 0 GEADRO Cc1cc([C@@H]([NH3+])CC(=O)N(C)CC(=O)NCc2cccs2)cc(Cl)n1 ZINC000829506660 654069353 /nfs/dbraw/zinc/06/93/53/654069353.db2.gz UTXMRYWPMCLAKV-AWEZNQCLSA-N 1 0 380.901 2.270 20 0 GEADRO O=C(NCc1ccc(Br)cn1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000869117120 654069907 /nfs/dbraw/zinc/06/99/07/654069907.db2.gz TZJDBPXLNGTBLZ-MRXNPFEDSA-N 1 0 397.317 2.287 20 0 GEADRO O=C(NCc1ccc(Br)cn1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000869118622 654070200 /nfs/dbraw/zinc/07/02/00/654070200.db2.gz JVYOMGWJIOYBCH-HZPDHXFCSA-N 1 0 397.317 2.021 20 0 GEADRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2c(Cl)nc(Cl)n2C)cc1 ZINC000850341204 654071883 /nfs/dbraw/zinc/07/18/83/654071883.db2.gz BYFHAIVDCFBIQI-CYBMUJFWSA-N 1 0 388.295 2.445 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H](O)c1cccc(Br)c1 ZINC000900611525 654072752 /nfs/dbraw/zinc/07/27/52/654072752.db2.gz AKWFKKHVNGBVLP-KRWDZBQOSA-N 1 0 392.297 2.468 20 0 GEADRO COC[C@H]([NH3+])Cc1cn(CCCCOc2ccc(Br)cc2)nn1 ZINC000900623055 654073290 /nfs/dbraw/zinc/07/32/90/654073290.db2.gz UEFXVFKMTRWXNH-CQSZACIVSA-N 1 0 383.290 2.416 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850365324 654073378 /nfs/dbraw/zinc/07/33/78/654073378.db2.gz FRLKHARSFCKLRZ-UHFFFAOYSA-N 1 0 375.210 2.219 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000900634054 654073997 /nfs/dbraw/zinc/07/39/97/654073997.db2.gz QLYRXUYAOVXLMJ-HNNXBMFYSA-N 1 0 381.270 2.085 20 0 GEADRO COC(=O)[C@](C)(NC(=O)[C@@]12CC[N@H+](C1)CCC2)c1cccc(Br)c1 ZINC000900645485 654074283 /nfs/dbraw/zinc/07/42/83/654074283.db2.gz ODGBTEZOGPOENW-MSOLQXFVSA-N 1 0 395.297 2.439 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900656665 654075009 /nfs/dbraw/zinc/07/50/09/654075009.db2.gz NLAYMJOQYHTQCI-UHFFFAOYSA-N 1 0 394.313 2.010 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](O)c1cccc(Br)c1 ZINC000900685408 654076406 /nfs/dbraw/zinc/07/64/06/654076406.db2.gz RVESTWDAYGMPKP-DLBZAZTESA-N 1 0 397.313 2.242 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000900684261 654076525 /nfs/dbraw/zinc/07/65/25/654076525.db2.gz LLMKOUSZIDFMPT-JTQLQIEISA-N 1 0 378.258 2.029 20 0 GEADRO O=C(c1ccc2ccc(Br)cc2c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000869195531 654076589 /nfs/dbraw/zinc/07/65/89/654076589.db2.gz WGNGWKPZUNQLBD-DLBZAZTESA-N 1 0 375.266 2.493 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2csc(I)n2)C1 ZINC000829703783 654077305 /nfs/dbraw/zinc/07/73/05/654077305.db2.gz IEIYQTZGPODNEJ-RKDXNWHRSA-N 1 0 379.267 2.350 20 0 GEADRO C/C=C/[C@H](O)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000900756365 654079295 /nfs/dbraw/zinc/07/92/95/654079295.db2.gz DHOHJKPSLQUZRL-YATRRXNKSA-N 1 0 397.313 2.346 20 0 GEADRO O=C([C@@H](O)c1cccc(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000900760825 654079617 /nfs/dbraw/zinc/07/96/17/654079617.db2.gz LEHVJJUQEBUOLQ-KRWDZBQOSA-N 1 0 397.313 2.053 20 0 GEADRO CCN(C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000869239151 654080478 /nfs/dbraw/zinc/08/04/78/654080478.db2.gz LNESJYHQRGJCCD-CVEARBPZSA-N 1 0 382.302 2.179 20 0 GEADRO O=S1(=O)CCC(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 ZINC000829825810 654081166 /nfs/dbraw/zinc/08/11/66/654081166.db2.gz IJMJSJUUINTSTQ-HNNXBMFYSA-N 1 0 381.416 2.423 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000798937810 654081478 /nfs/dbraw/zinc/08/14/78/654081478.db2.gz PGPXLKJKCVSXHQ-DZKIICNBSA-N 1 0 388.555 2.499 20 0 GEADRO O=S(=O)(NCCC[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1Cl ZINC000798936008 654081574 /nfs/dbraw/zinc/08/15/74/654081574.db2.gz ZNHFKRJYFKXFIJ-UHFFFAOYSA-N 1 0 388.917 2.284 20 0 GEADRO C[C@@H]([NH2+]CCC(C)(C)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850531950 654081643 /nfs/dbraw/zinc/08/16/43/654081643.db2.gz OSWWEHXAGOAAGR-GFCCVEGCSA-N 1 0 380.507 2.201 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)c(F)c1F)[C@H]1C[N@H+](C)CCN1C ZINC000900803978 654081689 /nfs/dbraw/zinc/08/16/89/654081689.db2.gz JZUXSPASARFVBO-JOYOIKCWSA-N 1 0 376.245 2.091 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C[C@@H]1[C@H](NC(=O)c2cc(Br)cnc2Br)CC[N@@H+]1C ZINC000830113434 654099764 /nfs/dbraw/zinc/09/97/64/654099764.db2.gz YBMRLUHQVIJPIT-GMSGAONNSA-N 1 0 377.080 2.429 20 0 GEADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000830125621 654100677 /nfs/dbraw/zinc/10/06/77/654100677.db2.gz ZOUYYRBXLOXELF-IAQYHMDHSA-N 1 0 387.249 2.396 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1Br ZINC000869504843 654101356 /nfs/dbraw/zinc/10/13/56/654101356.db2.gz SLCUZZVAIMTWGK-VIFPVBQESA-N 1 0 397.191 2.144 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(F)cc1F ZINC000799724958 654108328 /nfs/dbraw/zinc/10/83/28/654108328.db2.gz BTVQQCTYJLTFCQ-NFAWXSAZSA-N 1 0 394.534 2.212 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850829480 654108440 /nfs/dbraw/zinc/10/84/40/654108440.db2.gz LITHZSPNQGKEFL-CYBMUJFWSA-N 1 0 395.301 2.021 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000850830261 654108476 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O=C(NC[C@H](O)c1cccc(Br)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000799932615 654121422 /nfs/dbraw/zinc/12/14/22/654121422.db2.gz SXDHUOGEVVFIBO-HOTGVXAUSA-N 1 0 382.302 2.266 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(Br)cc2F)C1 ZINC000869774859 654122148 /nfs/dbraw/zinc/12/21/48/654122148.db2.gz HTJWAKWPYWQFGK-VIFPVBQESA-N 1 0 377.229 2.302 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3Br)CC2)C1 ZINC000869779250 654122512 /nfs/dbraw/zinc/12/25/12/654122512.db2.gz WCMGAJMNHYBMIM-ZDUSSCGKSA-N 1 0 381.314 2.442 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799951526 654122845 /nfs/dbraw/zinc/12/28/45/654122845.db2.gz YKBMDQCQNOHSLC-XZJROXQQSA-N 1 0 382.302 2.264 20 0 GEADRO Cn1cc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c(Br)n1 ZINC000889188871 654127629 /nfs/dbraw/zinc/12/76/29/654127629.db2.gz XWIVUELLEAFLOL-UHFFFAOYSA-N 1 0 377.286 2.012 20 0 GEADRO Cn1nc(C(F)(F)F)c(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Cl ZINC000889193713 654128478 /nfs/dbraw/zinc/12/84/78/654128478.db2.gz URXLXAFRXPLSGA-BDAKNGLRSA-N 1 0 381.786 2.077 20 0 GEADRO CN(C)[C@H](CC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C(F)(F)F ZINC000901593855 654133242 /nfs/dbraw/zinc/13/32/42/654133242.db2.gz SQDUBOJWFHBOBZ-VXGBXAGGSA-N 1 0 382.224 2.448 20 0 GEADRO Cc1cccc2cc(S(=O)(=O)N3CC(CN4CC[NH+](C)CC4)C3)sc21 ZINC000917889641 654137137 /nfs/dbraw/zinc/13/71/37/654137137.db2.gz GXZOCOMCMRFKSY-UHFFFAOYSA-N 1 0 379.551 2.078 20 0 GEADRO O=C1[C@@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)CCN1C1CCCCC1 ZINC000901728125 654143975 /nfs/dbraw/zinc/14/39/75/654143975.db2.gz LAEJCGPZUZQTSN-JSGCOSHPSA-N 1 0 381.318 2.484 20 0 GEADRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc4nc(Cl)cnc4c3)C[C@]2(C)C1 ZINC000918359466 654149294 /nfs/dbraw/zinc/14/92/94/654149294.db2.gz BEVSMQNJVGBSQR-CALCHBBNSA-N 1 0 380.901 2.246 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1Cl ZINC000918370558 654150189 /nfs/dbraw/zinc/15/01/89/654150189.db2.gz XVOWKINELFQTHP-IAGOWNOFSA-N 1 0 388.917 2.320 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000918582450 654154998 /nfs/dbraw/zinc/15/49/98/654154998.db2.gz SPASOJNRTIXKOR-KBPBESRZSA-N 1 0 376.400 2.337 20 0 GEADRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1ncc(Br)cn1 ZINC000889714507 654161166 /nfs/dbraw/zinc/16/11/66/654161166.db2.gz NWHRBPAYSJBZRJ-UHFFFAOYSA-N 1 0 375.270 2.304 20 0 GEADRO COc1cn(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(C)cc1=O ZINC000902124569 654165479 /nfs/dbraw/zinc/16/54/79/654165479.db2.gz IEPMCIDNJARNIU-UHFFFAOYSA-N 1 0 381.274 2.419 20 0 GEADRO O=C(c1cc(F)c(Br)cc1F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889744962 654166119 /nfs/dbraw/zinc/16/61/19/654166119.db2.gz QEGSFJDDKXYKAH-LSDHHAIUSA-N 1 0 389.240 2.399 20 0 GEADRO O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000851633832 654166596 /nfs/dbraw/zinc/16/65/96/654166596.db2.gz VMJPWJCEUUFBKU-UHFFFAOYSA-N 1 0 376.400 2.337 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000918956238 654166665 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GEADRO C[NH+](C)CC[C@@H](NC(=O)NCC1CCC(S(C)(=O)=O)CC1)C(C)(C)C ZINC000919151953 654172218 /nfs/dbraw/zinc/17/22/18/654172218.db2.gz VYKUSNCCOAEMMT-UYSNPLJNSA-N 1 0 375.579 2.255 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000851743110 654173921 /nfs/dbraw/zinc/17/39/21/654173921.db2.gz ZEBOKCZLLRSMFX-GDBMZVCRSA-N 1 0 378.450 2.444 20 0 GEADRO [NH3+]CCCCCCNC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000831267063 654175142 /nfs/dbraw/zinc/17/51/42/654175142.db2.gz HLHQZUPULWMXSB-HNNXBMFYSA-N 1 0 397.317 2.151 20 0 GEADRO O=C(CCCC[NH+]1CCCC1)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000889812368 654175816 /nfs/dbraw/zinc/17/58/16/654175816.db2.gz XETQDYXBWQPLKY-AWEZNQCLSA-N 1 0 395.301 2.090 20 0 GEADRO CC[C@@H](C[NH+](C)C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000870554172 654181521 /nfs/dbraw/zinc/18/15/21/654181521.db2.gz AZTBICXMGVEXSI-LBPRGKRZSA-N 1 0 378.878 2.019 20 0 GEADRO O=C(Nc1cccc(F)c1Br)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000889908299 654186707 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[NH3+]CC[C@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc21)C(F)F ZINC000903504292 654242510 /nfs/dbraw/zinc/24/25/10/654242510.db2.gz UMFVLBUJGVZTPB-VIFPVBQESA-N 1 0 382.230 2.191 20 0 GEADRO CS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472809 654243806 /nfs/dbraw/zinc/24/38/06/654243806.db2.gz GMCFTUFBLOWANN-UONOGXRCSA-N 1 0 384.464 2.077 20 0 GEADRO CCS(=O)(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473656 654244235 /nfs/dbraw/zinc/24/42/35/654244235.db2.gz PFPRRYHICCGCQB-KBPBESRZSA-N 1 0 384.464 2.077 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1F ZINC000903512895 654244531 /nfs/dbraw/zinc/24/45/31/654244531.db2.gz BUBANZGPDROMML-ZJUUUORDSA-N 1 0 393.278 2.112 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1F ZINC000903513546 654244853 /nfs/dbraw/zinc/24/48/53/654244853.db2.gz OJNXTVPXBDVSSU-JTQLQIEISA-N 1 0 393.278 2.112 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c1F ZINC000903513769 654245342 /nfs/dbraw/zinc/24/53/42/654245342.db2.gz XKFPOICIGDWCPB-UHFFFAOYSA-N 1 0 395.294 2.487 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CCN1CCC(n2nncc2I)CC1 ZINC000852532103 654245622 /nfs/dbraw/zinc/24/56/22/654245622.db2.gz CWOPNYMMHODKQW-GFCCVEGCSA-N 1 0 389.285 2.004 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1F ZINC000903517784 654246397 /nfs/dbraw/zinc/24/63/97/654246397.db2.gz LRBNOFKTLLZFCK-DTWKUNHWSA-N 1 0 381.267 2.145 20 0 GEADRO Cn1cc(CNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c(Br)n1 ZINC000921320861 654246450 /nfs/dbraw/zinc/24/64/50/654246450.db2.gz UQLOQFBZUCEPTB-UHFFFAOYSA-N 1 0 398.280 2.253 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)Cc3cccc(F)c3Br)C[C@@H]21 ZINC000903518807 654246815 /nfs/dbraw/zinc/24/68/15/654246815.db2.gz XXEDBHLBZUEOME-VHRBIJSZSA-N 1 0 391.306 2.477 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cncc(I)c1 ZINC000890881638 654246912 /nfs/dbraw/zinc/24/69/12/654246912.db2.gz BZONXJAHLBROCX-UHFFFAOYSA-N 1 0 375.254 2.346 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc32)CC[C@@H]1C(F)(F)F ZINC000903519148 654247354 /nfs/dbraw/zinc/24/73/54/654247354.db2.gz BSHQZRIEJCRJRV-UWVGGRQHSA-N 1 0 382.795 2.117 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)s1 ZINC000903521068 654248251 /nfs/dbraw/zinc/24/82/51/654248251.db2.gz GYSIPVUDCJKPTJ-GFCCVEGCSA-N 1 0 387.571 2.331 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCCCCCC[NH3+])c1F ZINC000903521674 654248333 /nfs/dbraw/zinc/24/83/33/654248333.db2.gz BYDWDEBPWBRZHT-UHFFFAOYSA-N 1 0 383.283 2.394 20 0 GEADRO [NH3+]CCCCCCNS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903522403 654248586 /nfs/dbraw/zinc/24/85/86/654248586.db2.gz PDYYWCQHXGRHSB-UHFFFAOYSA-N 1 0 393.303 2.116 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCn2ncc(Br)c2C1 ZINC000852602762 654248647 /nfs/dbraw/zinc/24/86/47/654248647.db2.gz POYKRKBMEOCWNJ-CYBMUJFWSA-N 1 0 384.322 2.291 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1F ZINC000903522110 654248796 /nfs/dbraw/zinc/24/87/96/654248796.db2.gz LLJUDGFJDBNDGW-VHSXEESVSA-N 1 0 395.294 2.202 20 0 GEADRO C[C@H](NS(=O)(=O)Cc1cccc(F)c1Br)C1CC[NH2+]CC1 ZINC000903525407 654249459 /nfs/dbraw/zinc/24/94/59/654249459.db2.gz HUNABLQUTZCJMZ-JTQLQIEISA-N 1 0 379.295 2.396 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)c1F ZINC000903525149 654249561 /nfs/dbraw/zinc/24/95/61/654249561.db2.gz AUBZEBIHJWHWHG-SECBINFHSA-N 1 0 395.294 2.263 20 0 GEADRO COc1ccc(Cl)cc1CNC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903534338 654251018 /nfs/dbraw/zinc/25/10/18/654251018.db2.gz FPTFAADMRPLYBI-OLZOCXBDSA-N 1 0 379.810 2.176 20 0 GEADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1cccc(Br)c1 ZINC000871677312 654251284 /nfs/dbraw/zinc/25/12/84/654251284.db2.gz FWZARNCMYZKLLD-UHFFFAOYSA-N 1 0 388.269 2.328 20 0 GEADRO Cc1nc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c(-c2ccccc2)s1 ZINC000903539533 654251768 /nfs/dbraw/zinc/25/17/68/654251768.db2.gz DLEILISBPCUMAZ-UHFFFAOYSA-N 1 0 381.523 2.247 20 0 GEADRO CCOC(=O)[C@@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)C[C@H]1C(F)(F)F ZINC000871691646 654252283 /nfs/dbraw/zinc/25/22/83/654252283.db2.gz UBAIUPZUAMWLRD-VXGBXAGGSA-N 1 0 383.480 2.122 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCCN2S(=O)(=O)c1ccc(F)cc1Br ZINC000903540368 654252294 /nfs/dbraw/zinc/25/22/94/654252294.db2.gz IXVYZFJFYVAEFA-QMTHXVAHSA-N 1 0 377.279 2.480 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000903544858 654252978 /nfs/dbraw/zinc/25/29/78/654252978.db2.gz KOBIMFHHVREXAM-SNVBAGLBSA-N 1 0 384.445 2.204 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)s1 ZINC000903547576 654253682 /nfs/dbraw/zinc/25/36/82/654253682.db2.gz SNZROJCLRXGEFC-HNNXBMFYSA-N 1 0 385.555 2.056 20 0 GEADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CC[NH2+]CCC12CCOCC2 ZINC000903549812 654254486 /nfs/dbraw/zinc/25/44/86/654254486.db2.gz RXQQEOXEUBJZPG-UHFFFAOYSA-N 1 0 385.873 2.014 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000903553214 654254868 /nfs/dbraw/zinc/25/48/68/654254868.db2.gz BXWPCBPFJMHLLC-WBMJQRKESA-N 1 0 388.917 2.032 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000903558758 654255568 /nfs/dbraw/zinc/25/55/68/654255568.db2.gz ZBIWWHVILQZVHC-UHFFFAOYSA-N 1 0 389.315 2.268 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)c(C)c1Cl ZINC000903557389 654255708 /nfs/dbraw/zinc/25/57/08/654255708.db2.gz CBECTULGJIBSEP-UHFFFAOYSA-N 1 0 392.930 2.307 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903561716 654256025 /nfs/dbraw/zinc/25/60/25/654256025.db2.gz VOXYAVLMAXVVIG-CYZMBNFOSA-N 1 0 379.707 2.415 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1Cl ZINC000903560544 654256038 /nfs/dbraw/zinc/25/60/38/654256038.db2.gz ITGQDZIFSCOWDB-WHGOUJPWSA-N 1 0 395.706 2.282 20 0 GEADRO O=S(=O)(Cc1cccc(Cl)c1Br)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903562707 654256639 /nfs/dbraw/zinc/25/66/39/654256639.db2.gz IOBSPYVUKYDYGU-ADEWGFFLSA-N 1 0 379.707 2.415 20 0 GEADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000832298710 654258046 /nfs/dbraw/zinc/25/80/46/654258046.db2.gz RBXNYLYUCWDZEC-UHFFFAOYSA-N 1 0 398.497 2.082 20 0 GEADRO COCCS(=O)(=O)CCC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000832303142 654258109 /nfs/dbraw/zinc/25/81/09/654258109.db2.gz BFCVBSZEIFIABL-OAHLLOKOSA-N 1 0 384.325 2.242 20 0 GEADRO O=S1(=O)N=C(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)c2ccccc21 ZINC000852748434 654258607 /nfs/dbraw/zinc/25/86/07/654258607.db2.gz VMCCFBSLGFVALA-KRWDZBQOSA-N 1 0 375.881 2.478 20 0 GEADRO C[NH2+]C[C@H](C)c1noc(-c2cnn(C(C)C)c2I)n1 ZINC000871785167 654259098 /nfs/dbraw/zinc/25/90/98/654259098.db2.gz MSEHOBBVVVURBX-QMMMGPOBSA-N 1 0 375.214 2.442 20 0 GEADRO O=S(=O)(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cncc(Cl)c1 ZINC000903574301 654259273 /nfs/dbraw/zinc/25/92/73/654259273.db2.gz PJDHORPQKHEYDK-RDJZCZTQSA-N 1 0 379.869 2.269 20 0 GEADRO O=S(=O)(NCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccc(Cl)s1 ZINC000871795506 654259959 /nfs/dbraw/zinc/25/99/59/654259959.db2.gz SNQZIFSYZABUML-PBINXNQUSA-N 1 0 388.902 2.261 20 0 GEADRO C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901495 654266614 /nfs/dbraw/zinc/26/66/14/654266614.db2.gz JKOKVAACYCVVOG-UISBYWKRSA-N 1 0 380.124 2.481 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852800030 654260704 /nfs/dbraw/zinc/26/07/04/654260704.db2.gz WJGFFPLIRMNQTO-ZDUSSCGKSA-N 1 0 398.248 2.190 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC1 ZINC000871804354 654260781 /nfs/dbraw/zinc/26/07/81/654260781.db2.gz GEZGXWJTGFLSLY-UHFFFAOYSA-N 1 0 385.917 2.235 20 0 GEADRO C[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C[C@H]1C[NH3+] ZINC000871806204 654261174 /nfs/dbraw/zinc/26/11/74/654261174.db2.gz YRJFJPIIOXCNGE-DGCLKSJQSA-N 1 0 385.917 2.220 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000903579710 654261432 /nfs/dbraw/zinc/26/14/32/654261432.db2.gz PEFPHBMRIOIKBY-DTWKUNHWSA-N 1 0 392.321 2.485 20 0 GEADRO CCOc1cc(Br)c(NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1OCC ZINC000852819234 654261676 /nfs/dbraw/zinc/26/16/76/654261676.db2.gz CBKMKYTWVRJFLY-SECBINFHSA-N 1 0 386.246 2.289 20 0 GEADRO O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)C(F)(F)c1ccc(Br)cc1 ZINC000852818911 654261747 /nfs/dbraw/zinc/26/17/47/654261747.db2.gz SGTNPKJOKDETDF-AWEZNQCLSA-N 1 0 388.256 2.047 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)cc2s1 ZINC000871810097 654262012 /nfs/dbraw/zinc/26/20/12/654262012.db2.gz HYVKWIMVZDVMST-ZDUSSCGKSA-N 1 0 381.523 2.042 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c1F ZINC000903584110 654263251 /nfs/dbraw/zinc/26/32/51/654263251.db2.gz HYDZGICDGPVDBS-YMTOWFKASA-N 1 0 393.278 2.099 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903586003 654263610 /nfs/dbraw/zinc/26/36/10/654263610.db2.gz BNHCKYYGAFGAIM-HNNXBMFYSA-N 1 0 376.906 2.113 20 0 GEADRO CSCc1nc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n[nH]1 ZINC000891089930 654263671 /nfs/dbraw/zinc/26/36/71/654263671.db2.gz FUADGZQVMANSJA-ZDUSSCGKSA-N 1 0 382.921 2.423 20 0 GEADRO CSCc1nc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n[nH]1 ZINC000891089929 654263701 /nfs/dbraw/zinc/26/37/01/654263701.db2.gz FUADGZQVMANSJA-CYBMUJFWSA-N 1 0 382.921 2.423 20 0 GEADRO [NH3+]C1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCCC1 ZINC000852853118 654263958 /nfs/dbraw/zinc/26/39/58/654263958.db2.gz SLCFLYOYAHNMDO-UHFFFAOYSA-N 1 0 385.917 2.126 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000871814361 654264460 /nfs/dbraw/zinc/26/44/60/654264460.db2.gz SRRFIEUVIVBWDT-VHSXEESVSA-N 1 0 386.823 2.415 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000903589397 654264510 /nfs/dbraw/zinc/26/45/10/654264510.db2.gz AWLLSGLPGUGHAD-AWEZNQCLSA-N 1 0 390.933 2.374 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1Br ZINC000871815817 654264782 /nfs/dbraw/zinc/26/47/82/654264782.db2.gz VKVGKJZXZSWXKA-KBPBESRZSA-N 1 0 375.288 2.021 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871816082 654264823 /nfs/dbraw/zinc/26/48/23/654264823.db2.gz AFEAUCOOQIXAMB-SJORKVTESA-N 1 0 388.917 2.318 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903589952 654264773 /nfs/dbraw/zinc/26/47/73/654264773.db2.gz RNEQGIQODUUAIY-XPTSAGLGSA-N 1 0 393.278 2.099 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])ccc1Br ZINC000903590739 654265179 /nfs/dbraw/zinc/26/51/79/654265179.db2.gz ZEVWXYAOVXMIMU-XHDPSFHLSA-N 1 0 387.299 2.154 20 0 GEADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000852881932 654265211 /nfs/dbraw/zinc/26/52/11/654265211.db2.gz TURUJJDCFIWGHN-DOMZBBRYSA-N 1 0 375.270 2.459 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1Cl ZINC000871817858 654265262 /nfs/dbraw/zinc/26/52/62/654265262.db2.gz VRVBQFYQVQZCFP-HUUCEWRRSA-N 1 0 375.853 2.000 20 0 GEADRO O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)c1cc(Br)cnc1Cl ZINC000871817836 654265283 /nfs/dbraw/zinc/26/52/83/654265283.db2.gz VLZMCXUOXSHSOM-PWSUYJOCSA-N 1 0 380.695 2.060 20 0 GEADRO C[C@@]1(C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1(Br)Br ZINC000852881258 654265267 /nfs/dbraw/zinc/26/52/67/654265267.db2.gz ISGBEXLETNSAPZ-NSHDSACASA-N 1 0 380.124 2.485 20 0 GEADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cncc(Br)c2)c2ccccc21 ZINC000871820022 654265734 /nfs/dbraw/zinc/26/57/34/654265734.db2.gz SQEVBZPAPYNOPP-NSHDSACASA-N 1 0 382.283 2.485 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593618 654265693 /nfs/dbraw/zinc/26/56/93/654265693.db2.gz RBTTUKAMSWMFJW-AWEZNQCLSA-N 1 0 393.278 2.113 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000852908272 654267403 /nfs/dbraw/zinc/26/74/03/654267403.db2.gz KTQDCBKCWHLELC-HNNXBMFYSA-N 1 0 391.269 2.032 20 0 GEADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC1(C(F)(F)F)CC[NH+](CC)CC1 ZINC000891208205 654272118 /nfs/dbraw/zinc/27/21/18/654272118.db2.gz QNUMDWGTCVKWQA-GFCCVEGCSA-N 1 0 381.464 2.221 20 0 GEADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CCC1SCCS1 ZINC000853019553 654272662 /nfs/dbraw/zinc/27/26/62/654272662.db2.gz DEUZTVNFNAJEEO-SFHVURJKSA-N 1 0 377.535 2.379 20 0 GEADRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000832571052 654276795 /nfs/dbraw/zinc/27/67/95/654276795.db2.gz WORMEAPRWTWOJN-DGCLKSJQSA-N 1 0 376.425 2.169 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)c1ccccn1)Cc1ccc(F)c(Br)c1 ZINC000853108840 654279050 /nfs/dbraw/zinc/27/90/50/654279050.db2.gz CHQCXVSYDAMXIA-SUMWQHHRSA-N 1 0 383.261 2.457 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH2+]C(C)C)c1 ZINC000832606974 654280455 /nfs/dbraw/zinc/28/04/55/654280455.db2.gz QZSRYGZGFVNUSR-UHFFFAOYSA-N 1 0 389.949 2.488 20 0 GEADRO CN(Cc1ccccc1Cl)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903714566 654280467 /nfs/dbraw/zinc/28/04/67/654280467.db2.gz ZPGLEPINCYGNBK-AAEUAGOBSA-N 1 0 377.794 2.037 20 0 GEADRO Cc1cccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1Br ZINC000903779258 654283166 /nfs/dbraw/zinc/28/31/66/654283166.db2.gz XMEWYRLUMXPJHB-ZNMIVQPWSA-N 1 0 380.286 2.124 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2CC(=O)Nc1ccccc1I ZINC000903796044 654283854 /nfs/dbraw/zinc/28/38/54/654283854.db2.gz RELWOYKMJHXWET-LRDDRELGSA-N 1 0 399.276 2.433 20 0 GEADRO O=C(CN1CC[NH2+]CCC12CCOCC2)Nc1ccc(Br)cc1 ZINC000903812909 654284087 /nfs/dbraw/zinc/28/40/87/654284087.db2.gz ANGSUHWVRSYEAQ-UHFFFAOYSA-N 1 0 382.302 2.232 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000903830553 654284598 /nfs/dbraw/zinc/28/45/98/654284598.db2.gz FEZIJCWEHSVULV-GFCCVEGCSA-N 1 0 377.819 2.190 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000903831344 654284754 /nfs/dbraw/zinc/28/47/54/654284754.db2.gz RCJDBQNMUDTZEL-CYBMUJFWSA-N 1 0 381.325 2.077 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903859081 654287843 /nfs/dbraw/zinc/28/78/43/654287843.db2.gz ZQSICELERJVYJZ-LRDDRELGSA-N 1 0 399.276 2.351 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903862973 654288053 /nfs/dbraw/zinc/28/80/53/654288053.db2.gz HYHHODPROZWPQW-INIZCTEOSA-N 1 0 399.276 2.366 20 0 GEADRO Cn1nc2c(c1C[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)COCC2 ZINC000921594762 654289198 /nfs/dbraw/zinc/28/91/98/654289198.db2.gz AZTXCULZAVUFRQ-LLVKDONJSA-N 1 0 386.279 2.329 20 0 GEADRO CC1CC[NH+](CCCNC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000853248140 654289442 /nfs/dbraw/zinc/28/94/42/654289442.db2.gz LFNMZALUDBQDNF-UHFFFAOYSA-N 1 0 384.322 2.293 20 0 GEADRO O=C(NCc1cc(Cl)c2c(c1)OCCO2)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891372463 654289970 /nfs/dbraw/zinc/28/99/70/654289970.db2.gz VZQSYLMVQBYSHP-NSHDSACASA-N 1 0 375.803 2.155 20 0 GEADRO O=C(NCc1cc(Cl)c2c(c1)OCCO2)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891372462 654290106 /nfs/dbraw/zinc/29/01/06/654290106.db2.gz VZQSYLMVQBYSHP-LLVKDONJSA-N 1 0 375.803 2.155 20 0 GEADRO [NH3+][C@H](CC(F)F)CN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000903902798 654290896 /nfs/dbraw/zinc/29/08/96/654290896.db2.gz CNBPZLRWOBFZEO-CYBMUJFWSA-N 1 0 376.245 2.189 20 0 GEADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C[C@H](N)CC(F)F)CC2)cc1 ZINC000903923534 654291962 /nfs/dbraw/zinc/29/19/62/654291962.db2.gz WLJDAFPXYZOAID-CYBMUJFWSA-N 1 0 375.485 2.021 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000891411254 654292211 /nfs/dbraw/zinc/29/22/11/654292211.db2.gz FALSSZGRSIQWQA-AWEZNQCLSA-N 1 0 387.933 2.191 20 0 GEADRO COc1cc(Br)c(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1O ZINC000903973079 654294102 /nfs/dbraw/zinc/29/41/02/654294102.db2.gz NVFQTMFHRZXHRB-ZDUSSCGKSA-N 1 0 385.302 2.412 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891449984 654294622 /nfs/dbraw/zinc/29/46/22/654294622.db2.gz DEKWVGDOVYOYGK-NSHDSACASA-N 1 0 392.244 2.372 20 0 GEADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000891459488 654294631 /nfs/dbraw/zinc/29/46/31/654294631.db2.gz JVMWRJJATZGPAI-AWEZNQCLSA-N 1 0 378.826 2.447 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891481928 654296349 /nfs/dbraw/zinc/29/63/49/654296349.db2.gz JBBDAQSBXBZMFU-DGCLKSJQSA-N 1 0 383.290 2.217 20 0 GEADRO CCO[C@@H](CNS(=O)(=O)c1ccc(C)cc1Br)C[NH+](C)C ZINC000921633572 654296361 /nfs/dbraw/zinc/29/63/61/654296361.db2.gz GWFANVWSBHJBPI-LBPRGKRZSA-N 1 0 379.320 2.003 20 0 GEADRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([S@](C)=O)cc1 ZINC000921646879 654298725 /nfs/dbraw/zinc/29/87/25/654298725.db2.gz WSLKJFDXXZDEDT-FSOLBKLSSA-N 1 0 381.567 2.364 20 0 GEADRO O=c1ccn(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c2c(Br)cccc12 ZINC000853521517 654300349 /nfs/dbraw/zinc/30/03/49/654300349.db2.gz AYLNFZDKCKFJHK-CYBMUJFWSA-N 1 0 388.269 2.335 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Cl)c(Cl)c3)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904080947 654300424 /nfs/dbraw/zinc/30/04/24/654300424.db2.gz AFPHDMZLMWVESF-CWSCBRNRSA-N 1 0 388.276 2.219 20 0 GEADRO CSc1ccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@H]43)n2)c(Cl)c1 ZINC000904098013 654301173 /nfs/dbraw/zinc/30/11/73/654301173.db2.gz MDDBNZDKSLUMQN-LQJRIPTKSA-N 1 0 399.925 2.287 20 0 GEADRO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2CN2CCOC2=S)C1)C(F)(F)F ZINC000853545434 654302519 /nfs/dbraw/zinc/30/25/19/654302519.db2.gz FLBCGDAXFTZSES-OLZOCXBDSA-N 1 0 379.448 2.216 20 0 GEADRO CN(CC1C[NH+](C)C1)Cn1nnn(-c2ccc(Br)cc2)c1=S ZINC000853553362 654303631 /nfs/dbraw/zinc/30/36/31/654303631.db2.gz NPNKEYQJALFUOZ-UHFFFAOYSA-N 1 0 383.319 2.012 20 0 GEADRO Cn1cc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(Br)n1 ZINC000921678589 654303649 /nfs/dbraw/zinc/30/36/49/654303649.db2.gz MBDWUYNSXZSYEI-CABCVRRESA-N 1 0 392.301 2.427 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccccc1I ZINC000904274804 654306979 /nfs/dbraw/zinc/30/69/79/654306979.db2.gz RJEWWFFHTVALQR-NSHDSACASA-N 1 0 389.237 2.133 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)C[C@@H]1C(F)(F)F ZINC000891691843 654307146 /nfs/dbraw/zinc/30/71/46/654307146.db2.gz RFBXCHNQYOAIJI-ZJUUUORDSA-N 1 0 396.207 2.433 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Cl)ncc1Br ZINC000833552761 654307129 /nfs/dbraw/zinc/30/71/29/654307129.db2.gz PUHLQLAMPHKLBQ-JTQLQIEISA-N 1 0 376.682 2.074 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000833552854 654307353 /nfs/dbraw/zinc/30/73/53/654307353.db2.gz RKTQHSDLNANZQQ-NSHDSACASA-N 1 0 379.498 2.272 20 0 GEADRO O=C(Nc1cccc(F)c1I)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904394123 654308913 /nfs/dbraw/zinc/30/89/13/654308913.db2.gz OXBULOZRDGTLBB-POZPLHJXSA-N 1 0 375.185 2.445 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC[C@]([NH3+])(CO)C1 ZINC000904401268 654309362 /nfs/dbraw/zinc/30/93/62/654309362.db2.gz GRFKRAPXXOAZKZ-QGZVFWFLSA-N 1 0 379.302 2.229 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NC2(C[NH+]3CCCCC3)CCC2)c1C(F)F ZINC000872006298 654310338 /nfs/dbraw/zinc/31/03/38/654310338.db2.gz SNGMDDMZOWYSDF-UHFFFAOYSA-N 1 0 376.473 2.353 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(CN3C(=O)N[C@@](C)(c4ccc(Cl)s4)C3=O)C[C@]2(C)C1 ZINC000904435784 654310826 /nfs/dbraw/zinc/31/08/26/654310826.db2.gz FXNJWIKASHKZGM-NVGVWMPQSA-N 1 0 382.917 2.010 20 0 GEADRO O=C(C1SCCS1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804448377 654310855 /nfs/dbraw/zinc/31/08/55/654310855.db2.gz NNMPRIFSQZYKJH-KRWDZBQOSA-N 1 0 377.579 2.211 20 0 GEADRO O=C(NCCc1nc2c(s1)CCCC2)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921722819 654311509 /nfs/dbraw/zinc/31/15/09/654311509.db2.gz PSEGVVLXSYKODN-DZGCQCFKSA-N 1 0 380.583 2.443 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904459544 654311570 /nfs/dbraw/zinc/31/15/70/654311570.db2.gz UWWAWUJWCRFQLP-GRYCIOLGSA-N 1 0 377.246 2.044 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H]([NH3+])C[C@H]3C)nc12 ZINC000891784455 654311656 /nfs/dbraw/zinc/31/16/56/654311656.db2.gz SVVCXEVGJAZWJL-YPMHNXCESA-N 1 0 380.290 2.079 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc2ccccc2nc1Br ZINC000904451568 654311673 /nfs/dbraw/zinc/31/16/73/654311673.db2.gz ZOYCLRMDFDAAOV-LBPRGKRZSA-N 1 0 379.258 2.449 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904483151 654312137 /nfs/dbraw/zinc/31/21/37/654312137.db2.gz HFPFECGMZCZDOT-YDEJPDAXSA-N 1 0 398.257 2.259 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904483150 654312225 /nfs/dbraw/zinc/31/22/25/654312225.db2.gz HFPFECGMZCZDOT-RLCGTCKNSA-N 1 0 398.257 2.259 20 0 GEADRO CC[C@@H](CCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000872050261 654313070 /nfs/dbraw/zinc/31/30/70/654313070.db2.gz XVNMDGOYKKFKRO-LBPRGKRZSA-N 1 0 382.452 2.284 20 0 GEADRO COCCOc1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1Br ZINC000904548082 654313383 /nfs/dbraw/zinc/31/33/83/654313383.db2.gz IPGSFIWTNVXLPL-UHFFFAOYSA-N 1 0 384.274 2.348 20 0 GEADRO COCCOc1ccc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1Br ZINC000904547584 654313543 /nfs/dbraw/zinc/31/35/43/654313543.db2.gz FVHJRZVLRPSNCI-IACUBPJLSA-N 1 0 384.274 2.489 20 0 GEADRO C[NH+]1CCC(CCNC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000853675218 654314693 /nfs/dbraw/zinc/31/46/93/654314693.db2.gz PVRPTDBBILTBCX-UHFFFAOYSA-N 1 0 396.329 2.394 20 0 GEADRO CCn1c(CNC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)nc2cc(Br)ccc21 ZINC000891852426 654315175 /nfs/dbraw/zinc/31/51/75/654315175.db2.gz YRTOVBQGUUIDOD-JQWIXIFHSA-N 1 0 380.290 2.450 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000891858784 654315874 /nfs/dbraw/zinc/31/58/74/654315874.db2.gz VYDKRHNYDRBTRL-SMDDNHRTSA-N 1 0 378.274 2.266 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cn1 ZINC000891869736 654316307 /nfs/dbraw/zinc/31/63/07/654316307.db2.gz WXZIRAVZCPEDQK-ZJUUUORDSA-N 1 0 377.233 2.449 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000872189784 654316443 /nfs/dbraw/zinc/31/64/43/654316443.db2.gz JWCLCJQNTDLHGH-UHFFFAOYSA-N 1 0 398.345 2.428 20 0 GEADRO O=C(NCc1ccsc1Br)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891890270 654316721 /nfs/dbraw/zinc/31/67/21/654316721.db2.gz XTQXFLNBXFHTFQ-LBPRGKRZSA-N 1 0 388.331 2.469 20 0 GEADRO CCSCCCc1noc(-c2cc(Br)cn(CC[NH3+])c2=O)n1 ZINC000904700174 654317047 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ZINC000923022599 654425158 /nfs/dbraw/zinc/42/51/58/654425158.db2.gz ZQHZOSCVCQNKBA-KBPBESRZSA-N 1 0 391.224 2.450 20 0 GEADRO O[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C12CCOCC2 ZINC000923020773 654425233 /nfs/dbraw/zinc/42/52/33/654425233.db2.gz PHZFIBVNBWUHJN-CABCVRRESA-N 1 0 384.270 2.240 20 0 GEADRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)C12CCOCC2 ZINC000923033759 654425735 /nfs/dbraw/zinc/42/57/35/654425735.db2.gz BLNZATVSLFTJGU-KGLIPLIRSA-N 1 0 388.555 2.238 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CC2C[NH+](C)C2)ccc1Cl ZINC000855639882 654430648 /nfs/dbraw/zinc/43/06/48/654430648.db2.gz OTQRPDGNFNKNME-UHFFFAOYSA-N 1 0 387.933 2.004 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(c3ncnc4c3c(Br)nn4C(C)(C)C)[C@H]2C1 ZINC000893936461 654432083 /nfs/dbraw/zinc/43/20/83/654432083.db2.gz WYZLHURSVZJTEK-MNOVXSKESA-N 1 0 379.306 2.484 20 0 GEADRO CCc1sc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1Br ZINC000855697400 654434539 /nfs/dbraw/zinc/43/45/39/654434539.db2.gz AAHUXYDKOAHEMX-UHFFFAOYSA-N 1 0 390.347 2.165 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906436027 654437321 /nfs/dbraw/zinc/43/73/21/654437321.db2.gz OPXQYSAEHRZUFK-LBPRGKRZSA-N 1 0 382.302 2.406 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000894031679 654440629 /nfs/dbraw/zinc/44/06/29/654440629.db2.gz IDZRYOALHBKZKL-QEJZJMRPSA-N 1 0 390.343 2.013 20 0 GEADRO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894034154 654441070 /nfs/dbraw/zinc/44/10/70/654441070.db2.gz LEOZXUZXSFNLQM-NWANDNLSSA-N 1 0 390.343 2.013 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(C=O)cc1Br ZINC000923281859 654441158 /nfs/dbraw/zinc/44/11/58/654441158.db2.gz HXXWIWFFPPKBRU-UONOGXRCSA-N 1 0 381.270 2.336 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1Cl ZINC000855812176 654441413 /nfs/dbraw/zinc/44/14/13/654441413.db2.gz RKYJQPNRQVPMPK-CYBMUJFWSA-N 1 0 385.917 2.124 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000923294799 654442270 /nfs/dbraw/zinc/44/22/70/654442270.db2.gz PXNORGCWLDCOAW-LBPRGKRZSA-N 1 0 382.306 2.445 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(I)cnn2C)[C@H](C)C1 ZINC000894049623 654442809 /nfs/dbraw/zinc/44/28/09/654442809.db2.gz IBESKTMFOBVMIF-DGCLKSJQSA-N 1 0 376.286 2.187 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(I)cc1O ZINC000923316277 654443238 /nfs/dbraw/zinc/44/32/38/654443238.db2.gz GMWWVDIQBLCYMX-NWDGAFQWSA-N 1 0 386.233 2.306 20 0 GEADRO Cn1cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c(I)n1 ZINC000894086985 654445586 /nfs/dbraw/zinc/44/55/86/654445586.db2.gz PZEFQUSYPMNNGK-CYBMUJFWSA-N 1 0 388.297 2.188 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000873663636 654445650 /nfs/dbraw/zinc/44/56/50/654445650.db2.gz LMLZYIYGKPSHNA-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO O=C(NCc1cnc(Br)cn1)NCC1CC[NH+](CC2CC2)CC1 ZINC000923353943 654446039 /nfs/dbraw/zinc/44/60/39/654446039.db2.gz ONZKSJJPIGCCSY-UHFFFAOYSA-N 1 0 382.306 2.160 20 0 GEADRO O=C(NCc1cnc(Br)cn1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000923356607 654446375 /nfs/dbraw/zinc/44/63/75/654446375.db2.gz SZUKEDTTZJUIKU-OAHLLOKOSA-N 1 0 390.285 2.313 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cnc2ccccc2c1Br)[NH+](C)C ZINC000873668898 654446541 /nfs/dbraw/zinc/44/65/41/654446541.db2.gz GILARFOWABEPFT-SNVBAGLBSA-N 1 0 379.258 2.002 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000894094555 654446577 /nfs/dbraw/zinc/44/65/77/654446577.db2.gz MBZLVURZLCVCGL-ZDUSSCGKSA-N 1 0 382.921 2.137 20 0 GEADRO C[NH+](C)CCOc1ccc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000906536629 654447502 /nfs/dbraw/zinc/44/75/02/654447502.db2.gz LUTOKGYEICWMRM-ZDUSSCGKSA-N 1 0 383.703 2.364 20 0 GEADRO Cn1nc(Br)nc1CNc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000894116701 654448230 /nfs/dbraw/zinc/44/82/30/654448230.db2.gz YJZRUHMKFWIIGO-UHFFFAOYSA-N 1 0 394.317 2.394 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000906572878 654449916 /nfs/dbraw/zinc/44/99/16/654449916.db2.gz LZFBLFKDTCVIBC-AWEZNQCLSA-N 1 0 382.917 2.487 20 0 GEADRO Cc1cc(Br)c(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000906603669 654452961 /nfs/dbraw/zinc/45/29/61/654452961.db2.gz YDGYGCHDDRPURA-KGLIPLIRSA-N 1 0 387.343 2.419 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC(=O)Nc1ccccc1I ZINC000923445992 654453466 /nfs/dbraw/zinc/45/34/66/654453466.db2.gz XNEHBCRNZIDNDS-SDDRHHMPSA-N 1 0 387.265 2.300 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br)C1CC1 ZINC000873718404 654453853 /nfs/dbraw/zinc/45/38/53/654453853.db2.gz OSBSCTZUFQUBIP-UHFFFAOYSA-N 1 0 396.285 2.191 20 0 GEADRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccccc1Br ZINC000906622890 654454258 /nfs/dbraw/zinc/45/42/58/654454258.db2.gz XEIABKQKEQAOTL-ZDUSSCGKSA-N 1 0 392.301 2.410 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000873718409 654454275 /nfs/dbraw/zinc/45/42/75/654454275.db2.gz OTGDQGGCXQBRSZ-GFCCVEGCSA-N 1 0 396.285 2.048 20 0 GEADRO [NH3+][C@]1(CO)CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923478130 654454777 /nfs/dbraw/zinc/45/47/77/654454777.db2.gz XUTKKHVHPUOJLP-FUHWJXTLSA-N 1 0 386.323 2.443 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000894208001 654456284 /nfs/dbraw/zinc/45/62/84/654456284.db2.gz CMBZTBGMPXGRRS-JTQLQIEISA-N 1 0 386.244 2.472 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000873743461 654457116 /nfs/dbraw/zinc/45/71/16/654457116.db2.gz BFFLHIPXDYIMMO-LLVKDONJSA-N 1 0 396.285 2.048 20 0 GEADRO C[C@@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000923502222 654457106 /nfs/dbraw/zinc/45/71/06/654457106.db2.gz AKHUWIGTCRQONQ-CHWSQXEVSA-N 1 0 375.332 2.140 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000906661673 654457897 /nfs/dbraw/zinc/45/78/97/654457897.db2.gz SLDXYCSZGBTKDZ-ZDUSSCGKSA-N 1 0 398.349 2.125 20 0 GEADRO Cn1ncc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1C1CC1 ZINC000894232330 654458233 /nfs/dbraw/zinc/45/82/33/654458233.db2.gz YVEATZOADZCMFM-UHFFFAOYSA-N 1 0 382.917 2.409 20 0 GEADRO Cn1cc(C[NH2+]CCOc2ccc(F)cc2F)c(I)n1 ZINC000894236740 654458393 /nfs/dbraw/zinc/45/83/93/654458393.db2.gz XDHKHDFVUOLEIH-UHFFFAOYSA-N 1 0 393.175 2.472 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000873759977 654459635 /nfs/dbraw/zinc/45/96/35/654459635.db2.gz JEHQIKJGPLSFTR-PWSUYJOCSA-N 1 0 396.285 2.138 20 0 GEADRO COc1cccc([C@@H](O)C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894260713 654460457 /nfs/dbraw/zinc/46/04/57/654460457.db2.gz PYNANQJPBUHMHJ-AWEZNQCLSA-N 1 0 383.901 2.465 20 0 GEADRO Cn1cc(C[NH2+]C[C@@](C)(O)c2cccs2)c(I)n1 ZINC000894281179 654462248 /nfs/dbraw/zinc/46/22/48/654462248.db2.gz MBSROFJNYYCYJB-GFCCVEGCSA-N 1 0 377.251 2.084 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000906701694 654462543 /nfs/dbraw/zinc/46/25/43/654462543.db2.gz QYUBGNMPWILDBW-NSHDSACASA-N 1 0 379.766 2.291 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000906715397 654463927 /nfs/dbraw/zinc/46/39/27/654463927.db2.gz QBGIFJXOITXEAG-UHFFFAOYSA-N 1 0 380.286 2.344 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906718245 654464295 /nfs/dbraw/zinc/46/42/95/654464295.db2.gz SXOALZRVPFKTPS-UHFFFAOYSA-N 1 0 398.276 2.484 20 0 GEADRO O=C(CN1CC[C@@]2(C1)CCCC[NH2+]2)Nc1ccccc1I ZINC000923536462 654464466 /nfs/dbraw/zinc/46/44/66/654464466.db2.gz MFDZJWSOMXNVMG-MRXNPFEDSA-N 1 0 399.276 2.448 20 0 GEADRO O=C(CN1CC[C@]2(C1)CCCC[NH2+]2)Nc1ccccc1I ZINC000923536461 654464528 /nfs/dbraw/zinc/46/45/28/654464528.db2.gz MFDZJWSOMXNVMG-INIZCTEOSA-N 1 0 399.276 2.448 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CC1(CCO)CCCCC1 ZINC000894317934 654464687 /nfs/dbraw/zinc/46/46/87/654464687.db2.gz RBCHTQUCIIVPNO-UHFFFAOYSA-N 1 0 377.270 2.447 20 0 GEADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(I)cnn2C)C1 ZINC000894325270 654465151 /nfs/dbraw/zinc/46/51/51/654465151.db2.gz RKZAWZQIHWADIU-BFKGZMGPSA-N 1 0 395.310 2.194 20 0 GEADRO O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894324964 654465174 /nfs/dbraw/zinc/46/51/74/654465174.db2.gz LBLVNGXDZMYAKR-UHFFFAOYSA-N 1 0 386.886 2.147 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)cc1Br ZINC000906741377 654466897 /nfs/dbraw/zinc/46/68/97/654466897.db2.gz ZZYDCIGWJIRYEP-CYBMUJFWSA-N 1 0 398.301 2.435 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)NCc2cnc(Br)cn2)CC1 ZINC000923547146 654467059 /nfs/dbraw/zinc/46/70/59/654467059.db2.gz MIWUDLIHCGDAMJ-UHFFFAOYSA-N 1 0 382.306 2.399 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000873817862 654468806 /nfs/dbraw/zinc/46/88/06/654468806.db2.gz LRPXNCVOMKQRRJ-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(I)n1 ZINC000894358515 654469000 /nfs/dbraw/zinc/46/90/00/654469000.db2.gz GNXWIZJHTLKZEH-UPJWGTAASA-N 1 0 387.265 2.462 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000873825465 654469568 /nfs/dbraw/zinc/46/95/68/654469568.db2.gz FZXQGVZVHKEPTR-ZDUSSCGKSA-N 1 0 398.301 2.387 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000873830641 654470115 /nfs/dbraw/zinc/47/01/15/654470115.db2.gz LILBDKXXYSPHJC-YPMHNXCESA-N 1 0 398.301 2.337 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906770375 654470665 /nfs/dbraw/zinc/47/06/65/654470665.db2.gz IKGXHAPAEQCNPM-SFHVURJKSA-N 1 0 392.297 2.231 20 0 GEADRO CN(C)[C@@H](C[NH2+]Cc1c(I)cnn1C)c1cccs1 ZINC000894382817 654471644 /nfs/dbraw/zinc/47/16/44/654471644.db2.gz AENJKTNDXNWIJH-LBPRGKRZSA-N 1 0 390.294 2.479 20 0 GEADRO O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254308 654473197 /nfs/dbraw/zinc/47/31/97/654473197.db2.gz UTWMZEWKFIZNNO-GFCCVEGCSA-N 1 0 377.794 2.425 20 0 GEADRO O=C(c1cnc(Cl)c(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856255420 654473657 /nfs/dbraw/zinc/47/36/57/654473657.db2.gz HLILSWLZPPYZTH-GFCCVEGCSA-N 1 0 388.693 2.169 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000923651051 654473696 /nfs/dbraw/zinc/47/36/96/654473696.db2.gz BQBOUKOLTVKIIG-UHFFFAOYSA-N 1 0 381.523 2.199 20 0 GEADRO O=S(=O)(NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1)c1cscc1C(F)F ZINC000923652192 654473872 /nfs/dbraw/zinc/47/38/72/654473872.db2.gz YZORYCAIBVYXNT-GFCCVEGCSA-N 1 0 389.449 2.300 20 0 GEADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cnc(CC(F)(F)F)s2)NC(=O)NC1=O ZINC000894417750 654473971 /nfs/dbraw/zinc/47/39/71/654473971.db2.gz WFVLOFPYVCWOLI-OTYXRUKQSA-N 1 0 376.404 2.201 20 0 GEADRO COc1cc(F)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000923663574 654474618 /nfs/dbraw/zinc/47/46/18/654474618.db2.gz XOTGORNLBQYGLG-IUCAKERBSA-N 1 0 388.358 2.121 20 0 GEADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000923669843 654474901 /nfs/dbraw/zinc/47/49/01/654474901.db2.gz DYLAZGVGQLRVRT-CMPLNLGQSA-N 1 0 384.395 2.371 20 0 GEADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000906815217 654475244 /nfs/dbraw/zinc/47/52/44/654475244.db2.gz UUPCKFKUXYUIQQ-UHFFFAOYSA-N 1 0 377.857 2.122 20 0 GEADRO Cn1cc(CN2CC[C@H](Cc3ccncc3)C2)c(I)n1 ZINC000894437896 654475855 /nfs/dbraw/zinc/47/58/55/654475855.db2.gz NXEVPWHNWDGAGH-CYBMUJFWSA-N 1 0 382.249 2.484 20 0 GEADRO Cn1cc(CN2CC[C@@H](Cc3ccncc3)C2)c(I)n1 ZINC000894437898 654475979 /nfs/dbraw/zinc/47/59/79/654475979.db2.gz NXEVPWHNWDGAGH-ZDUSSCGKSA-N 1 0 382.249 2.484 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c(Cl)cc1F ZINC000923688119 654477349 /nfs/dbraw/zinc/47/73/49/654477349.db2.gz SXGFQYMZKFFBRR-LBPRGKRZSA-N 1 0 376.881 2.306 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)Cc1ccc(Cl)c(F)c1)CC2 ZINC000923688910 654477362 /nfs/dbraw/zinc/47/73/62/654477362.db2.gz SWKFHKZTOIPULM-ZDUSSCGKSA-N 1 0 376.881 2.139 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923698226 654478678 /nfs/dbraw/zinc/47/86/78/654478678.db2.gz DWWXCIUUXLHCIB-NEPJUHHUSA-N 1 0 391.331 2.453 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923701391 654479380 /nfs/dbraw/zinc/47/93/80/654479380.db2.gz UNSCGBCAJXHOSJ-NWDGAFQWSA-N 1 0 382.507 2.293 20 0 GEADRO CCOC(=O)c1ncc(Br)c(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000894477004 654479523 /nfs/dbraw/zinc/47/95/23/654479523.db2.gz VYPZUIKGBUSRNX-NSHDSACASA-N 1 0 385.306 2.370 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923703941 654479612 /nfs/dbraw/zinc/47/96/12/654479612.db2.gz HNKHKZZQWWMAJZ-ZDUSSCGKSA-N 1 0 386.539 2.325 20 0 GEADRO Cc1n[nH]c(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1Br ZINC000856410753 654479846 /nfs/dbraw/zinc/47/98/46/654479846.db2.gz OOEUQIVOTWKDRS-GFCCVEGCSA-N 1 0 385.306 2.196 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923705335 654480068 /nfs/dbraw/zinc/48/00/68/654480068.db2.gz SIBIXDBJUZLSMA-CYBMUJFWSA-N 1 0 386.539 2.325 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923713560 654480262 /nfs/dbraw/zinc/48/02/62/654480262.db2.gz NNPFLSNPLYPIGR-VHSXEESVSA-N 1 0 379.707 2.333 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1Br ZINC000923732930 654481331 /nfs/dbraw/zinc/48/13/31/654481331.db2.gz YGFGBTBYBISPAN-OAHLLOKOSA-N 1 0 389.315 2.364 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c(C)c1Cl ZINC000923737142 654481906 /nfs/dbraw/zinc/48/19/06/654481906.db2.gz XBLMWFSGZWIGFU-OAHLLOKOSA-N 1 0 392.930 2.403 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C(F)(F)F ZINC000894506649 654481968 /nfs/dbraw/zinc/48/19/68/654481968.db2.gz RMZUZGWJKKFWOE-RQJABVFESA-N 1 0 385.448 2.311 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000923739310 654482103 /nfs/dbraw/zinc/48/21/03/654482103.db2.gz LDENPXYOVDZRJC-DTWKUNHWSA-N 1 0 390.328 2.465 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)C1 ZINC000906880826 654482387 /nfs/dbraw/zinc/48/23/87/654482387.db2.gz GUVVDMLTBIWJRY-NWDGAFQWSA-N 1 0 375.724 2.067 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCCCn1cc(Br)cn1 ZINC000894517134 654482627 /nfs/dbraw/zinc/48/26/27/654482627.db2.gz FLYPZGKKLCGTDC-HUUCEWRRSA-N 1 0 384.322 2.304 20 0 GEADRO C[NH+]1CCC(OCC(=O)OCC(=O)Nc2ccccc2Br)CC1 ZINC000923791609 654483849 /nfs/dbraw/zinc/48/38/49/654483849.db2.gz GBMHCXJZOOXHDA-UHFFFAOYSA-N 1 0 385.258 2.042 20 0 GEADRO COC(=O)CC1([NH2+]Cc2cc3c(cccc3O)s2)CCS(=O)(=O)CC1 ZINC000894535383 654483685 /nfs/dbraw/zinc/48/36/85/654483685.db2.gz ZLXLCXRIWNXYEJ-UHFFFAOYSA-N 1 0 383.491 2.207 20 0 GEADRO C[NH+](C)CCCOC1CCN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906907033 654486090 /nfs/dbraw/zinc/48/60/90/654486090.db2.gz NWGSAFAFWMVRHL-LBPRGKRZSA-N 1 0 375.724 2.067 20 0 GEADRO Cn1ncc(I)c1CNCC(C)(C)C[NH+]1CCCC1 ZINC000894556352 654486393 /nfs/dbraw/zinc/48/63/93/654486393.db2.gz XCTXPXPHCLFIOO-UHFFFAOYSA-N 1 0 376.286 2.236 20 0 GEADRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000856734835 654488082 /nfs/dbraw/zinc/48/80/82/654488082.db2.gz YERVRZUBQGVVJU-QGZVFWFLSA-N 1 0 388.555 2.122 20 0 GEADRO O=C(NCc1ccc(Br)cn1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000923922969 654488574 /nfs/dbraw/zinc/48/85/74/654488574.db2.gz TZLKRIIXAYXYGB-KBPBESRZSA-N 1 0 385.331 2.223 20 0 GEADRO Cc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1Cl ZINC000873972668 654489757 /nfs/dbraw/zinc/48/97/57/654489757.db2.gz VTCZKPAAGHFCNI-NSHDSACASA-N 1 0 388.295 2.202 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000873985011 654490727 /nfs/dbraw/zinc/49/07/27/654490727.db2.gz UOTOJQKFARZNBR-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO Cn1nc(Br)nc1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000894693186 654494818 /nfs/dbraw/zinc/49/48/18/654494818.db2.gz SOUPGDYYINQQFU-UHFFFAOYSA-N 1 0 394.317 2.340 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856830059 654496443 /nfs/dbraw/zinc/49/64/43/654496443.db2.gz DKDUHRMZAOMOTB-CYBMUJFWSA-N 1 0 377.360 2.428 20 0 GEADRO CCO[C@@H](CNC(=O)NCCc1sccc1Br)C[NH+](C)C ZINC000924008071 654496727 /nfs/dbraw/zinc/49/67/27/654496727.db2.gz QSHSEUFYGMGHJE-NSHDSACASA-N 1 0 378.336 2.319 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000856868660 654498279 /nfs/dbraw/zinc/49/82/79/654498279.db2.gz AYAYRBZQEUTQDU-SWLSCSKDSA-N 1 0 382.302 2.145 20 0 GEADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cc(O)cc(Cl)c1 ZINC000894780598 654498743 /nfs/dbraw/zinc/49/87/43/654498743.db2.gz HJBCJZNTQQOWBM-UHFFFAOYSA-N 1 0 388.848 2.343 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3nscc3I)CC[C@@H]21 ZINC000907037611 654502205 /nfs/dbraw/zinc/50/22/05/654502205.db2.gz OZGBLGOJUYPZEL-KOLCDFICSA-N 1 0 391.278 2.304 20 0 GEADRO Cn1cc(C[NH2+]C[C@H](CO)C2CCCCC2)c(I)n1 ZINC000894861356 654502552 /nfs/dbraw/zinc/50/25/52/654502552.db2.gz GERSFSNQFFLBJC-CYBMUJFWSA-N 1 0 377.270 2.303 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2COCO2)CC1 ZINC000894879480 654503626 /nfs/dbraw/zinc/50/36/26/654503626.db2.gz XVVALITYAVIGEI-OAHLLOKOSA-N 1 0 383.286 2.325 20 0 GEADRO CN(C)c1cc(NCc2nc(Br)nn2C)[nH+]cc1Br ZINC000894918522 654505357 /nfs/dbraw/zinc/50/53/57/654505357.db2.gz WKYPXPNTCWOGLH-UHFFFAOYSA-N 1 0 390.083 2.413 20 0 GEADRO CC(C)(C[NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(Br)cc1 ZINC000894947068 654507525 /nfs/dbraw/zinc/50/75/25/654507525.db2.gz KYHABIYKFWWQBL-UHFFFAOYSA-N 1 0 394.317 2.487 20 0 GEADRO C[NH+](C)CC1(O)CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000894955994 654508130 /nfs/dbraw/zinc/50/81/30/654508130.db2.gz MGMZOJAJWHZNQD-UHFFFAOYSA-N 1 0 383.265 2.424 20 0 GEADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)nc2)C1 ZINC000907083746 654508736 /nfs/dbraw/zinc/50/87/36/654508736.db2.gz ITSMKJJJOQXULE-NEPJUHHUSA-N 1 0 395.718 2.282 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)oc1Cl ZINC000907084356 654508750 /nfs/dbraw/zinc/50/87/50/654508750.db2.gz CHPLUKXUBNYQJN-UHFFFAOYSA-N 1 0 392.905 2.462 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)oc1Cl ZINC000907197308 654519458 /nfs/dbraw/zinc/51/94/58/654519458.db2.gz NFANCHQOPCBTIX-NSHDSACASA-N 1 0 390.889 2.215 20 0 GEADRO CS(=O)(=O)NCCC[NH2+][C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000924598571 654521389 /nfs/dbraw/zinc/52/13/89/654521389.db2.gz HEQAXUCIKJNIKQ-MRXNPFEDSA-N 1 0 398.326 2.462 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(Br)n2)CC1 ZINC000924636172 654521809 /nfs/dbraw/zinc/52/18/09/654521809.db2.gz ZUMFMVVWQFBHEB-LLVKDONJSA-N 1 0 376.320 2.309 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924647917 654522061 /nfs/dbraw/zinc/52/20/61/654522061.db2.gz TYWGBWGTIOBSKM-INIZCTEOSA-N 1 0 381.318 2.022 20 0 GEADRO C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccns1 ZINC000924657843 654522125 /nfs/dbraw/zinc/52/21/25/654522125.db2.gz OJFMWPVWRRNKER-AWEZNQCLSA-N 1 0 381.523 2.156 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000924675965 654522243 /nfs/dbraw/zinc/52/22/43/654522243.db2.gz TYGZFNYWYMKHRT-JTQLQIEISA-N 1 0 382.299 2.305 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CCN(S(C)(=O)=O)CC1 ZINC000924796767 654525080 /nfs/dbraw/zinc/52/50/80/654525080.db2.gz CWOYMBVZNGXIRQ-GFCCVEGCSA-N 1 0 388.917 2.261 20 0 GEADRO CCON1CCC([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)s2)CC1 ZINC000924834284 654525593 /nfs/dbraw/zinc/52/55/93/654525593.db2.gz BBWXNVHFLJBZCQ-UHFFFAOYSA-N 1 0 375.560 2.284 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924822362 654525702 /nfs/dbraw/zinc/52/57/02/654525702.db2.gz LEEMWUKHXFLGPP-HONMWMINSA-N 1 0 384.274 2.007 20 0 GEADRO C[C@H](c1ccc(Br)cn1)N1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000924866135 654526826 /nfs/dbraw/zinc/52/68/26/654526826.db2.gz ROZQZNIUTNMOSS-RISCZKNCSA-N 1 0 381.274 2.311 20 0 GEADRO O=C(NCCC[NH2+][C@H]1CCOC12CCOCC2)c1cccc(Br)c1 ZINC000924890474 654528113 /nfs/dbraw/zinc/52/81/13/654528113.db2.gz JTRCEUKHURDOHT-INIZCTEOSA-N 1 0 397.313 2.497 20 0 GEADRO C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1cc(CO)on1 ZINC000924904967 654528551 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GEADRO CNC(=O)c1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1Cl ZINC000925143424 654534623 /nfs/dbraw/zinc/53/46/23/654534623.db2.gz KDVDSUHVCCLNPB-GJZGRUSLSA-N 1 0 382.917 2.401 20 0 GEADRO CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000925143084 654534704 /nfs/dbraw/zinc/53/47/04/654534704.db2.gz PSPAVDGIUOLENO-CVEARBPZSA-N 1 0 383.539 2.182 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)C[C@H]1[NH+]1CCCC1 ZINC000907355120 654535357 /nfs/dbraw/zinc/53/53/57/654535357.db2.gz VBJIGQICZZHNOC-MXWKQRLJSA-N 1 0 375.749 2.146 20 0 GEADRO O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925160119 654535550 /nfs/dbraw/zinc/53/55/50/654535550.db2.gz AFPCISOGPAGMKO-OAGGEKHMSA-N 1 0 387.908 2.392 20 0 GEADRO O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925166296 654535740 /nfs/dbraw/zinc/53/57/40/654535740.db2.gz HNKHADLVVFUPBO-SYQHCUMBSA-N 1 0 381.464 2.365 20 0 GEADRO C[C@H](C[NH2+][C@@H]1C(=O)NCC12CCOCC2)Oc1ccccc1Br 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20 0 GEADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c[nH]nc1I ZINC000912649570 654762038 /nfs/dbraw/zinc/76/20/38/654762038.db2.gz WOVXCJWEZLMDOY-MNOVXSKESA-N 1 0 390.269 2.349 20 0 GEADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000912649107 654762082 /nfs/dbraw/zinc/76/20/82/654762082.db2.gz OVQWVNHPLCTGTA-JSGCOSHPSA-N 1 0 387.933 2.322 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000931995784 654763558 /nfs/dbraw/zinc/76/35/58/654763558.db2.gz IKBPCJPIPHLDAK-UHFFFAOYSA-N 1 0 395.301 2.394 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000932167061 654768910 /nfs/dbraw/zinc/76/89/10/654768910.db2.gz GPCGTQMOHPCPDM-UHFFFAOYSA-N 1 0 379.262 2.360 20 0 GEADRO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCC([NH+]2CCC2)CC1 ZINC000912884850 654772489 /nfs/dbraw/zinc/77/24/89/654772489.db2.gz FXVBKIIEHQRERW-MRXNPFEDSA-N 1 0 393.281 2.227 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000932260604 654773269 /nfs/dbraw/zinc/77/32/69/654773269.db2.gz GCYBCEQCMPYUFE-ZDUSSCGKSA-N 1 0 395.253 2.006 20 0 GEADRO O=C(c1cnc2ccc(Br)cc2c1O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912916139 654774156 /nfs/dbraw/zinc/77/41/56/654774156.db2.gz UMRABGFCVACZLI-GFCCVEGCSA-N 1 0 376.254 2.211 20 0 GEADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912912775 654774206 /nfs/dbraw/zinc/77/42/06/654774206.db2.gz DLZVAQMPMNFZPS-VIFPVBQESA-N 1 0 392.187 2.490 20 0 GEADRO COc1cc(/C=C\C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc(Br)c1O ZINC000912921604 654774447 /nfs/dbraw/zinc/77/44/47/654774447.db2.gz JBGVKFULPRZFSO-SCOBNMCVSA-N 1 0 381.270 2.483 20 0 GEADRO Cn1cc(Br)c(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1=O ZINC000932416256 654777183 /nfs/dbraw/zinc/77/71/83/654777183.db2.gz MCDUPNMLXHGKLV-CYBMUJFWSA-N 1 0 390.281 2.281 20 0 GEADRO CN(C(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[C@H]1C[NH+]2CCC1CC2 ZINC000932537550 654780545 /nfs/dbraw/zinc/78/05/45/654780545.db2.gz ASBDGIJSXZKOKC-HIFRSBDPSA-N 1 0 392.297 2.428 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH+]2CCC(F)(C3CC3)CC2)CCC1 ZINC000932628838 654784208 /nfs/dbraw/zinc/78/42/08/654784208.db2.gz LSXVNRSKSJZPJV-OAHLLOKOSA-N 1 0 376.538 2.202 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000913150700 654785314 /nfs/dbraw/zinc/78/53/14/654785314.db2.gz FGQLCVCQFOUNJN-HNNXBMFYSA-N 1 0 377.229 2.190 20 0 GEADRO Cc1ccc(Br)c(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)n1 ZINC000932691119 654785702 /nfs/dbraw/zinc/78/57/02/654785702.db2.gz QDRPKNGVRUBHNI-OAHLLOKOSA-N 1 0 383.334 2.154 20 0 GEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)C[C@@]2(C)C1 ZINC000913278291 654787594 /nfs/dbraw/zinc/78/75/94/654787594.db2.gz DLPULDVQIFSSRZ-IAGOWNOFSA-N 1 0 393.285 2.445 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC(Cc3ccccc3Br)C2)C1 ZINC000913336339 654789126 /nfs/dbraw/zinc/78/91/26/654789126.db2.gz JBEPELLPDLUSAA-GOSISDBHSA-N 1 0 381.314 2.297 20 0 GEADRO C[NH+]1CCC(NC(=O)CN2CCc3cc(Br)c(F)cc3C2)CC1 ZINC000932796642 654790989 /nfs/dbraw/zinc/79/09/89/654790989.db2.gz ZWBCTLKVMFXHLG-UHFFFAOYSA-N 1 0 384.293 2.157 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000932795220 654791007 /nfs/dbraw/zinc/79/10/07/654791007.db2.gz IPCWPHVZMYDKSB-YPMHNXCESA-N 1 0 380.286 2.285 20 0 GEADRO C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932814039 654791889 /nfs/dbraw/zinc/79/18/89/654791889.db2.gz ANAUXHCLOKFHPX-YJBOKZPZSA-N 1 0 383.330 2.453 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)[nH]nc2Br)[C@H](C)C1 ZINC000932947438 654796052 /nfs/dbraw/zinc/79/60/52/654796052.db2.gz GFVAIYUNWDMBKC-YPMHNXCESA-N 1 0 387.322 2.347 20 0 GEADRO Cc1cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000932951922 654796847 /nfs/dbraw/zinc/79/68/47/654796847.db2.gz KLNDPSZLVDWQCD-ZDUSSCGKSA-N 1 0 380.901 2.216 20 0 GEADRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000932958956 654798112 /nfs/dbraw/zinc/79/81/12/654798112.db2.gz RMERARDLPMKUER-CYBMUJFWSA-N 1 0 376.507 2.173 20 0 GEADRO O=C(CCOc1cccc(I)c1)NC12CC[NH+](CC1)C2 ZINC000913633539 654802430 /nfs/dbraw/zinc/80/24/30/654802430.db2.gz HYBQRMUOVSDDFI-UHFFFAOYSA-N 1 0 386.233 2.025 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000913677471 654803767 /nfs/dbraw/zinc/80/37/67/654803767.db2.gz QTJHSBFVDHYPLK-UHFFFAOYSA-N 1 0 382.711 2.088 20 0 GEADRO COc1ccc(CCC(=O)N2CCC(O)(C[NH+](C)C)CC2)cc1Br ZINC000913681461 654803969 /nfs/dbraw/zinc/80/39/69/654803969.db2.gz IWVCKFYSOILYCW-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000913681514 654803989 /nfs/dbraw/zinc/80/39/89/654803989.db2.gz LNRNLPASFYORGK-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000913682108 654804228 /nfs/dbraw/zinc/80/42/28/654804228.db2.gz OJDRUSWBYICGAZ-UHFFFAOYSA-N 1 0 395.297 2.140 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)N1CC[NH+](CCCCCO)CC1 ZINC000913692176 654804633 /nfs/dbraw/zinc/80/46/33/654804633.db2.gz AIYRAPITADUVEW-UHFFFAOYSA-N 1 0 387.293 2.438 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1c(F)ccc(Br)c1F ZINC000933289712 654806336 /nfs/dbraw/zinc/80/63/36/654806336.db2.gz PYGTYCJWRQMJRJ-VIFPVBQESA-N 1 0 377.233 2.095 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cn3ncnc23)C[C@@H]1C ZINC000933371853 654810557 /nfs/dbraw/zinc/81/05/57/654810557.db2.gz SWMYODLIAXPJOR-AAEUAGOBSA-N 1 0 380.290 2.437 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1nscc1I ZINC000913815770 654810711 /nfs/dbraw/zinc/81/07/11/654810711.db2.gz QTZDTHORNWRRES-ZJUUUORDSA-N 1 0 377.251 2.056 20 0 GEADRO O=c1cc(C[NH2+][C@]23C[C@H]2COC32CCC2)nc2ccc(Br)cn12 ZINC000933393131 654811517 /nfs/dbraw/zinc/81/15/17/654811517.db2.gz RRUONCWATXQVLB-APPDUMDISA-N 1 0 376.254 2.258 20 0 GEADRO O=C(NCc1cnc(Br)cn1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000913880495 654813167 /nfs/dbraw/zinc/81/31/67/654813167.db2.gz SYYXIJZCYQNTRF-CYBMUJFWSA-N 1 0 394.273 2.468 20 0 GEADRO O=C(NCc1cnc(Br)cn1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000913880496 654813514 /nfs/dbraw/zinc/81/35/14/654813514.db2.gz SYYXIJZCYQNTRF-ZDUSSCGKSA-N 1 0 394.273 2.468 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000913892197 654814064 /nfs/dbraw/zinc/81/40/64/654814064.db2.gz KMQAQTFOYGJDOZ-CQSZACIVSA-N 1 0 390.285 2.313 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cc(=O)[nH]cc2Br)Cc2ccccc2C1 ZINC000933454733 654814149 /nfs/dbraw/zinc/81/41/49/654814149.db2.gz ZENXIMXYHQMALI-UHFFFAOYSA-N 1 0 390.281 2.379 20 0 GEADRO CN(C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)[C@H]1CCC[N@H+](C)C1 ZINC000933486337 654814958 /nfs/dbraw/zinc/81/49/58/654814958.db2.gz OOMAZUYRCWKRDR-AAEUAGOBSA-N 1 0 380.286 2.428 20 0 GEADRO O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000933595002 654817637 /nfs/dbraw/zinc/81/76/37/654817637.db2.gz PFOKVKJGBHHLQD-AWEZNQCLSA-N 1 0 381.318 2.469 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)CC[NH+]2CCCC2)c1F ZINC000914061292 654824144 /nfs/dbraw/zinc/82/41/44/654824144.db2.gz PRMZSYYLTYZNNI-UHFFFAOYSA-N 1 0 395.294 2.313 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1F ZINC000914065700 654824470 /nfs/dbraw/zinc/82/44/70/654824470.db2.gz CIZCZAMSDAUSAM-JTQLQIEISA-N 1 0 395.294 2.169 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cn(C)nc2Br)C1 ZINC000914100131 654826397 /nfs/dbraw/zinc/82/63/97/654826397.db2.gz SQUUVTCDUJFVAS-CYBMUJFWSA-N 1 0 386.338 2.494 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000933929009 654831275 /nfs/dbraw/zinc/83/12/75/654831275.db2.gz IBNRSVVZTHRCOF-YPMHNXCESA-N 1 0 380.286 2.333 20 0 GEADRO O=C(c1ccc2c(Br)cnn2c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000934043271 654834921 /nfs/dbraw/zinc/83/49/21/654834921.db2.gz IYUNUQQPULYHME-UHFFFAOYSA-N 1 0 393.285 2.034 20 0 GEADRO O=C(N1CCOCC1)C1([NH2+]Cc2ccnc(Br)c2)CCCCC1 ZINC000934053470 654835393 /nfs/dbraw/zinc/83/53/93/654835393.db2.gz FYTWKYYGTOURKQ-UHFFFAOYSA-N 1 0 382.302 2.495 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000914241392 654837944 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COC(=O)c1ccc(Br)c(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000934271448 654842423 /nfs/dbraw/zinc/84/24/23/654842423.db2.gz FWWFVAMRNULEFR-SJORKVTESA-N 1 0 397.313 2.267 20 0 GEADRO Cc1sc(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000914308009 654844194 /nfs/dbraw/zinc/84/41/94/654844194.db2.gz KWXHYFYEDHYHRH-GUYCJALGSA-N 1 0 385.599 2.320 20 0 GEADRO Cn1cc(Br)c(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1=O ZINC000934357374 654845445 /nfs/dbraw/zinc/84/54/45/654845445.db2.gz DIXZMQHFLNSGNA-UHFFFAOYSA-N 1 0 398.326 2.413 20 0 GEADRO O=C(Nc1c(Br)cnn1C1CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934364468 654845925 /nfs/dbraw/zinc/84/59/25/654845925.db2.gz HZZWMQVGMLAVHD-UONOGXRCSA-N 1 0 398.305 2.043 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc3ccncc32)C[C@@H]1[NH+]1CCCC1 ZINC000914390786 654850446 /nfs/dbraw/zinc/85/04/46/654850446.db2.gz MCDRMKBVWQCTTL-IRXDYDNUSA-N 1 0 377.535 2.435 20 0 GEADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934496679 654851152 /nfs/dbraw/zinc/85/11/52/654851152.db2.gz CHTHGRPNVPLVKF-ZDUSSCGKSA-N 1 0 383.208 2.267 20 0 GEADRO Cn1cc(-c2nsc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)n2)cn1 ZINC000934581134 654853600 /nfs/dbraw/zinc/85/36/00/654853600.db2.gz KNZRMCABDRYBOD-LLVKDONJSA-N 1 0 377.499 2.425 20 0 GEADRO CN(C(=O)c1cn(-c2ccccc2Br)nn1)C1CC[NH+](C)CC1 ZINC000914747509 654857023 /nfs/dbraw/zinc/85/70/23/654857023.db2.gz QLYVEIMQKVTJRC-UHFFFAOYSA-N 1 0 378.274 2.196 20 0 GEADRO CCO[C@@H](CNC(=O)Nc1cc(F)c(Cl)c(C(=O)OC)c1)C[NH+](C)C ZINC000934767079 654858725 /nfs/dbraw/zinc/85/87/25/654858725.db2.gz OPUHJDRGWSDIIC-NSHDSACASA-N 1 0 375.828 2.354 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)C1 ZINC000934780387 654859277 /nfs/dbraw/zinc/85/92/77/654859277.db2.gz BTQMQTIPGAPVAZ-QKPAOTATSA-N 1 0 382.492 2.406 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000915058788 654861721 /nfs/dbraw/zinc/86/17/21/654861721.db2.gz SWAXAVLVXYXUOT-OAHLLOKOSA-N 1 0 386.323 2.208 20 0 GEADRO CC(C)OCC[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1I ZINC000934828765 654862604 /nfs/dbraw/zinc/86/26/04/654862604.db2.gz STFBVLPJXMIESI-DOMZBBRYSA-N 1 0 393.265 2.090 20 0 GEADRO CCC1([NH+]2CCCCC2)CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000915153592 654863994 /nfs/dbraw/zinc/86/39/94/654863994.db2.gz OQIXWXVIQATZIU-MRXNPFEDSA-N 1 0 388.599 2.164 20 0 GEADRO C[C@@H](NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1ccc(Br)cn1 ZINC000915146291 654864068 /nfs/dbraw/zinc/86/40/68/654864068.db2.gz PMNUTJLTAJBDDT-DOMZBBRYSA-N 1 0 388.331 2.310 20 0 GEADRO CCn1c(Br)ncc1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000915258092 654866715 /nfs/dbraw/zinc/86/67/15/654866715.db2.gz UROUYAJQGPWOCH-LBPRGKRZSA-N 1 0 378.274 2.411 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC000934950999 654868044 /nfs/dbraw/zinc/86/80/44/654868044.db2.gz CDHQHMCDXIBSSW-ZDUSSCGKSA-N 1 0 399.333 2.329 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC000934950998 654868099 /nfs/dbraw/zinc/86/80/99/654868099.db2.gz CDHQHMCDXIBSSW-CYBMUJFWSA-N 1 0 399.333 2.329 20 0 GEADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ncc(Br)cn3)nc2)C1 ZINC000935005268 654870347 /nfs/dbraw/zinc/87/03/47/654870347.db2.gz CONJMANWNNDUMF-ZDUSSCGKSA-N 1 0 391.273 2.027 20 0 GEADRO CCOc1ccc(Br)c(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1F ZINC000935052545 654873370 /nfs/dbraw/zinc/87/33/70/654873370.db2.gz MUDGHZZRTGRTAB-OAHLLOKOSA-N 1 0 377.254 2.029 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(Br)cn4ncnc34)C2)CC1 ZINC000935084907 654874831 /nfs/dbraw/zinc/87/48/31/654874831.db2.gz IIYDYHOPZNAGBO-CYBMUJFWSA-N 1 0 392.301 2.296 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cn2ncnc12 ZINC000935152545 654878917 /nfs/dbraw/zinc/87/89/17/654878917.db2.gz VEYDGLYTNLLFIQ-LLVKDONJSA-N 1 0 380.290 2.294 20 0 GEADRO C[C@H](CNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)C[NH+](C)C ZINC000915821990 654879835 /nfs/dbraw/zinc/87/98/35/654879835.db2.gz KLJTUCKALOWCQL-BGJPBQGDSA-N 1 0 387.449 2.065 20 0 GEADRO C[C@@H](CNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)C[NH+](C)C ZINC000915822025 654880258 /nfs/dbraw/zinc/88/02/58/654880258.db2.gz KLJTUCKALOWCQL-RULNZOCKSA-N 1 0 387.449 2.065 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)Cc3ccc(F)cc3Br)C2)C1 ZINC000915849618 654880806 /nfs/dbraw/zinc/88/08/06/654880806.db2.gz FTJCYTXPJKOOEH-HNNXBMFYSA-N 1 0 391.306 2.446 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC[N@H+]1C ZINC000935214116 654881618 /nfs/dbraw/zinc/88/16/18/654881618.db2.gz PIGYANURXCHMTH-NTZNESFSSA-N 1 0 380.286 2.426 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935215307 654881929 /nfs/dbraw/zinc/88/19/29/654881929.db2.gz WMQHEZSPPMIALR-GYSYKLTISA-N 1 0 380.286 2.426 20 0 GEADRO C[NH+]1CCC2(CCC(NS(=O)(=O)c3cnn(CC(F)F)c3)CC2)CC1 ZINC000915961076 654883690 /nfs/dbraw/zinc/88/36/90/654883690.db2.gz KLZGNEPJFZDEIP-UHFFFAOYSA-N 1 0 376.473 2.081 20 0 GEADRO CCOc1ccc(Br)c(C(=O)NCCOCC[NH+](C)C)c1F ZINC000935259397 654883911 /nfs/dbraw/zinc/88/39/11/654883911.db2.gz GJPXVHDMYYZYAU-UHFFFAOYSA-N 1 0 377.254 2.295 20 0 GEADRO C[NH+](C)CC1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000916003636 654884350 /nfs/dbraw/zinc/88/43/50/654884350.db2.gz MAYZOVCXBSIVJK-UHFFFAOYSA-N 1 0 381.723 2.426 20 0 GEADRO S=C(NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Nc1ccc(Cl)cc1 ZINC000916017489 654885025 /nfs/dbraw/zinc/88/50/25/654885025.db2.gz BNVVYIHMMQIMPW-HNNXBMFYSA-N 1 0 382.961 2.281 20 0 GEADRO S=C(NCCCN1CCOCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000916119061 654889311 /nfs/dbraw/zinc/88/93/11/654889311.db2.gz JEUNAIHLPLIYLO-INIZCTEOSA-N 1 0 382.599 2.071 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc(Br)[nH]c2=O)C[C@H]1[NH+]1CCCC1 ZINC000935366060 654889958 /nfs/dbraw/zinc/88/99/58/654889958.db2.gz CPRGPPGOSULUFW-NEPJUHHUSA-N 1 0 386.315 2.202 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cnn2cccc(Br)c12 ZINC000935532898 654898557 /nfs/dbraw/zinc/89/85/57/654898557.db2.gz VZLLBFNJKJWMTP-GFCCVEGCSA-N 1 0 395.301 2.014 20 0 GEADRO C[NH+](C)C1(CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CCC1 ZINC000935548645 654899702 /nfs/dbraw/zinc/89/97/02/654899702.db2.gz PCCJJYTWJQBEIS-CYBMUJFWSA-N 1 0 380.286 2.475 20 0 GEADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cnn3cccc(Br)c23)CCCO1 ZINC000935654234 654908463 /nfs/dbraw/zinc/90/84/63/654908463.db2.gz FYVRDTADPAHYEY-CYBMUJFWSA-N 1 0 395.301 2.328 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cn2ncnc12 ZINC000935662860 654909314 /nfs/dbraw/zinc/90/93/14/654909314.db2.gz MJIQBJXGPZJBLT-ZDUSSCGKSA-N 1 0 378.274 2.239 20 0 GEADRO CC(C)(C)[NH2+]CCC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000935786137 654916617 /nfs/dbraw/zinc/91/66/17/654916617.db2.gz URBBIUDHPVMIIX-UHFFFAOYSA-N 1 0 390.347 2.494 20 0 GEADRO O=C(C/C=C\c1ccc(Br)cc1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000935843169 654921160 /nfs/dbraw/zinc/92/11/60/654921160.db2.gz OFXFELXFIRKMRV-MPXGXIRNSA-N 1 0 378.314 2.359 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000935841848 654921206 /nfs/dbraw/zinc/92/12/06/654921206.db2.gz GYENCDNJIHEQKA-UHFFFAOYSA-N 1 0 393.285 2.450 20 0 GEADRO Cc1sc(Cl)nc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC000949516165 654939487 /nfs/dbraw/zinc/93/94/87/654939487.db2.gz PLRVJXBOYPUBTH-FPQZTECRSA-N 1 0 384.933 2.022 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ncc(Cl)s3)C2)CC[N@@H+]1C ZINC000949535948 654939518 /nfs/dbraw/zinc/93/95/18/654939518.db2.gz SQCFJPRXEOVALD-YVECIDJPSA-N 1 0 384.933 2.104 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4csc(Cl)c4)C[C@H]32)CC[N@@H+]1C ZINC000972417651 654941972 /nfs/dbraw/zinc/94/19/72/654941972.db2.gz GGVHXOBIWDIIRR-QHSBEEBCSA-N 1 0 381.929 2.415 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncc(Cl)s2)C3)C1 ZINC000998333883 654951592 /nfs/dbraw/zinc/95/15/92/654951592.db2.gz WXTOUKVDCUYIFZ-RNJOBUHISA-N 1 0 382.917 2.000 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc(Cl)s1)C2 ZINC000998336104 654951622 /nfs/dbraw/zinc/95/16/22/654951622.db2.gz TWUSUKPTVCYVQM-MROQNXINSA-N 1 0 382.917 2.143 20 0 GEADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csc(Cl)c1)C12CC[NH+](CC1)C2 ZINC000998652590 654952605 /nfs/dbraw/zinc/95/26/05/654952605.db2.gz CDIIZWVLFAGPNE-RDBSUJKOSA-N 1 0 379.913 2.359 20 0 GEADRO C[Si](C)(C)c1ccc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@H]3C2)nc1Cl ZINC001164389420 718823623 /nfs/dbraw/zinc/82/36/23/718823623.db2.gz IHZKZIPTTISVDR-NEPJUHHUSA-N 1 0 375.923 2.392 20 0 GEADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001164410070 718853021 /nfs/dbraw/zinc/85/30/21/718853021.db2.gz YNYWAHWCSUIEOG-QRWLVFNGSA-N 1 0 389.569 2.168 20 0 GEADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164408720 718854791 /nfs/dbraw/zinc/85/47/91/718854791.db2.gz SRRCKYJYUXMSHE-SJKOYZFVSA-N 1 0 398.816 2.499 20 0 GEADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164407763 718865190 /nfs/dbraw/zinc/86/51/90/718865190.db2.gz JQKLKIYUSFMZEC-WCQYABFASA-N 1 0 390.818 2.187 20 0 GEADRO O=C1NCCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C12C[NH2+]C2 ZINC001164413683 718879871 /nfs/dbraw/zinc/87/98/71/718879871.db2.gz KJPAXUKOEXKREX-UHFFFAOYSA-N 1 0 384.839 2.287 20 0 GEADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCCCC23CC[NH2+]CC3)c1 ZINC001164422204 718910905 /nfs/dbraw/zinc/91/09/05/718910905.db2.gz XDNIAPNHFYPOJD-UHFFFAOYSA-N 1 0 394.875 2.040 20 0 GEADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164423154 718914547 /nfs/dbraw/zinc/91/45/47/718914547.db2.gz DWNYAWPYFRSDBX-INIZCTEOSA-N 1 0 386.830 2.347 20 0 GEADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424280 718915443 /nfs/dbraw/zinc/91/54/43/718915443.db2.gz MMJCZFQPVBRVMW-QGZVFWFLSA-N 1 0 398.841 2.413 20 0 GEADRO CCOC(=O)c1nc2n(n1)CCN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)C2 ZINC001164615593 719005760 /nfs/dbraw/zinc/00/57/60/719005760.db2.gz HPVASLACQOEYOE-MRXNPFEDSA-N 1 0 384.484 2.417 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)nc1Cl ZINC001164617109 719012385 /nfs/dbraw/zinc/01/23/85/719012385.db2.gz MIADZXMJRRKEOR-JEZHCXPESA-N 1 0 381.210 2.058 20 0 GEADRO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ccnc(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164626684 719086543 /nfs/dbraw/zinc/08/65/43/719086543.db2.gz INPKNRMQBSQXGH-VQTJNVASSA-N 1 0 379.508 2.414 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164630642 719134313 /nfs/dbraw/zinc/13/43/13/719134313.db2.gz KVNPXBFZJUTUGJ-GFCCVEGCSA-N 1 0 382.798 2.293 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164630643 719134761 /nfs/dbraw/zinc/13/47/61/719134761.db2.gz KVNPXBFZJUTUGJ-LBPRGKRZSA-N 1 0 382.798 2.293 20 0 GEADRO CC(C)C[NH+]1CCN(c2ncnc3c2ccn3S(=O)(=O)c2ccccc2)CC1 ZINC001164653793 719331931 /nfs/dbraw/zinc/33/19/31/719331931.db2.gz VUOAPAMMPRTLJX-UHFFFAOYSA-N 1 0 399.520 2.446 20 0 GEADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C[C@@H]21 ZINC001164665298 719377386 /nfs/dbraw/zinc/37/73/86/719377386.db2.gz AYJSOLYVKINAPH-RBUKOAKNSA-N 1 0 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ZINC001165042516 721936295 /nfs/dbraw/zinc/93/62/95/721936295.db2.gz HTIOMYKUVJTYOB-UHFFFAOYSA-N 1 0 399.520 2.446 20 0 GEADRO C[NH+](C)CC1CCN(c2ncc3ccn(S(=O)(=O)c4ccccc4)c3n2)CC1 ZINC001165045682 721948455 /nfs/dbraw/zinc/94/84/55/721948455.db2.gz UZCXKZYVKNDUPF-UHFFFAOYSA-N 1 0 399.520 2.446 20 0 GEADRO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC(C[NH+](C)C)CC3)nn2)C1 ZINC001165044847 721949482 /nfs/dbraw/zinc/94/94/82/721949482.db2.gz JJQVREHJUPKDGJ-KRWDZBQOSA-N 1 0 375.517 2.034 20 0 GEADRO CN(C)S(=O)(=O)N1CC[C@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]2C1 ZINC001164955200 721990650 /nfs/dbraw/zinc/99/06/50/721990650.db2.gz ZXQKMURFNWRWON-KBPBESRZSA-N 1 0 386.949 2.030 20 0 GEADRO CN(C)c1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc2nc[nH]c21 ZINC001164955614 722019599 /nfs/dbraw/zinc/01/95/99/722019599.db2.gz KHDLBIILDRRVBF-UHFFFAOYSA-N 1 0 392.511 2.306 20 0 GEADRO c1cncc(-c2nc3c(c(N4C[C@@H]5C[N@H+](CC6CC6)C[C@H](C4)O5)n2)CCC3)c1 ZINC001164968174 722076618 /nfs/dbraw/zinc/07/66/18/722076618.db2.gz UUUYXSACKJXRKK-HDICACEKSA-N 1 0 377.492 2.327 20 0 GEADRO CCN(C)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985160 722098904 /nfs/dbraw/zinc/09/89/04/722098904.db2.gz VDRQQTNRDGOIEK-MOPGFXCFSA-N 1 0 382.512 2.055 20 0 GEADRO Fc1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982838 722100132 /nfs/dbraw/zinc/10/01/32/722100132.db2.gz PJBIDWCMXVSSLZ-HOCLYGCPSA-N 1 0 377.851 2.391 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncnc5ncccc54)CC[C@H]3C2)c1 ZINC001164975457 722104136 /nfs/dbraw/zinc/10/41/36/722104136.db2.gz BSGVOMWSIWSOAY-HKUYNNGSSA-N 1 0 376.464 2.147 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ncnc5ncccc54)CC[C@H]3C2)c1 ZINC001164975460 722104392 /nfs/dbraw/zinc/10/43/92/722104392.db2.gz BSGVOMWSIWSOAY-PKOBYXMFSA-N 1 0 376.464 2.147 20 0 GEADRO Cn1cnc2c1ccnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980001 722105320 /nfs/dbraw/zinc/10/53/20/722105320.db2.gz IRGHGBHDZIFEEY-HKUYNNGSSA-N 1 0 378.480 2.091 20 0 GEADRO Cc1cc2c(ncnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981855 722109366 /nfs/dbraw/zinc/10/93/66/722109366.db2.gz VJRHSOCBXPZHDI-MJGOQNOKSA-N 1 0 378.480 2.389 20 0 GEADRO CC(=O)Nc1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978177 722117306 /nfs/dbraw/zinc/11/73/06/722117306.db2.gz NSRHJOOUIXKQCT-RTBURBONSA-N 1 0 381.480 2.162 20 0 GEADRO COC(=O)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C ZINC001164980502 722125450 /nfs/dbraw/zinc/12/54/50/722125450.db2.gz RLBAILCBHUDLOO-UYAOXDASSA-N 1 0 396.491 2.299 20 0 GEADRO CC(C)Oc1cncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982558 722143884 /nfs/dbraw/zinc/14/38/84/722143884.db2.gz RPNUFNGEWJMPKS-OALUTQOASA-N 1 0 383.496 2.386 20 0 GEADRO COCCO[C@@H]1CCN(c2ccc(C[NH+]3CCCC3)cn2)[C@H]1Cc1cnn(C)c1 ZINC001164999041 722224768 /nfs/dbraw/zinc/22/47/68/722224768.db2.gz HGCUWZLRTMULNS-LEWJYISDSA-N 1 0 399.539 2.264 20 0 GEADRO COCCO[C@@H]1CCN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]1Cc1cnn(C)c1 ZINC001164999682 722225147 /nfs/dbraw/zinc/22/51/47/722225147.db2.gz OAFGXCWHRLVJRS-LEWJYISDSA-N 1 0 399.539 2.262 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1cncc(N3CCCCC3)n1)CCC2 ZINC001165002697 722255088 /nfs/dbraw/zinc/25/50/88/722255088.db2.gz SXEOMDJRKIFQNP-UHFFFAOYSA-N 1 0 399.543 2.152 20 0 GEADRO CC(=O)Nc1c(C)ccnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001912 722255494 /nfs/dbraw/zinc/25/54/94/722255494.db2.gz IZCHWALWLOUPLU-UHFFFAOYSA-N 1 0 386.500 2.033 20 0 GEADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(C[NH+](C)C)ccn1)C2 ZINC001165006866 722269442 /nfs/dbraw/zinc/26/94/42/722269442.db2.gz RUALZOVFKJDVQX-QFIPXVFZSA-N 1 0 397.498 2.210 20 0 GEADRO O=C(CN1c2ccccc2OCCC1=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012950221 210036797 /nfs/dbraw/zinc/03/67/97/210036797.db2.gz VGCWXKBGFHMUMN-SFHVURJKSA-N 1 0 379.460 2.193 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNc3ncncc3Br)cn2)CC1 ZINC000481665307 531389078 /nfs/dbraw/zinc/38/90/78/531389078.db2.gz CCDJVXICPKPNGZ-UHFFFAOYSA-N 1 0 377.290 2.388 20 0 GEADRO COCC[NH+]1CCC(NC(=O)Nc2cc3ccc(Br)cn3n2)CC1 ZINC000482206950 531394588 /nfs/dbraw/zinc/39/45/88/531394588.db2.gz GPLQAFIARBJTSL-UHFFFAOYSA-N 1 0 396.289 2.329 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000151553154 531511263 /nfs/dbraw/zinc/51/12/63/531511263.db2.gz FQMOBNWSEVYCJU-NEPJUHHUSA-N 1 0 383.290 2.019 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000151422113 531500506 /nfs/dbraw/zinc/50/05/06/531500506.db2.gz RXCUEAWKDVDQNV-HNNXBMFYSA-N 1 0 395.301 2.219 20 0 GEADRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000151525815 531508920 /nfs/dbraw/zinc/50/89/20/531508920.db2.gz ONKJFBVODNIFPM-UHFFFAOYSA-N 1 0 384.889 2.195 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000006533363 531525922 /nfs/dbraw/zinc/52/59/22/531525922.db2.gz HCMNJSLDNZKBJS-UHFFFAOYSA-N 1 0 382.287 2.154 20 0 GEADRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000007436315 531541591 /nfs/dbraw/zinc/54/15/91/531541591.db2.gz XREQETLWHZYIOM-LBPRGKRZSA-N 1 0 394.269 2.232 20 0 GEADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2sccc2S(=O)(=O)N(C)C)CC1 ZINC000152376998 531547446 /nfs/dbraw/zinc/54/74/46/531547446.db2.gz ZBYWMFJGVNFMFE-ZDUSSCGKSA-N 1 0 385.555 2.087 20 0 GEADRO C[C@@H](NC(=O)N1CCc2c(Br)cccc2C1)[C@H]1CN(C)CCO1 ZINC000152435063 531549873 /nfs/dbraw/zinc/54/98/73/531549873.db2.gz PHJRXHIBRUDFMM-MLGOLLRUSA-N 1 0 382.302 2.236 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1Cl ZINC000152184631 531535434 /nfs/dbraw/zinc/53/54/34/531535434.db2.gz AXVHIGUNAGLNFQ-UHFFFAOYSA-N 1 0 390.933 2.470 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000152674122 531566130 /nfs/dbraw/zinc/56/61/30/531566130.db2.gz DZZOLNVKEWRJNC-BBRMVZONSA-N 1 0 394.313 2.308 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000152884852 531577836 /nfs/dbraw/zinc/57/78/36/531577836.db2.gz FSFGJZOPWMPECW-OCCSQVGLSA-N 1 0 386.901 2.216 20 0 GEADRO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000153062912 531586472 /nfs/dbraw/zinc/58/64/72/531586472.db2.gz SGQLASYUGGWKNL-HOCLYGCPSA-N 1 0 375.270 2.239 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCc1cc(Cl)ccc1Br ZINC000153095865 531587943 /nfs/dbraw/zinc/58/79/43/531587943.db2.gz IDBBVKDAIGJQFN-HNNXBMFYSA-N 1 0 377.710 2.464 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(C(N)=O)CCOCC1 ZINC000153103691 531590612 /nfs/dbraw/zinc/59/06/12/531590612.db2.gz IEHXOJLSKFSMIM-GFCCVEGCSA-N 1 0 398.301 2.038 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000153177347 531592363 /nfs/dbraw/zinc/59/23/63/531592363.db2.gz RDICUQYLQFYNHN-UHFFFAOYSA-N 1 0 396.207 2.474 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C[C@H](O)c3ccccc3Br)C2)CC1 ZINC000153144223 531592821 /nfs/dbraw/zinc/59/28/21/531592821.db2.gz GXJHDZVFXNEIIP-YJBOKZPZSA-N 1 0 382.346 2.194 20 0 GEADRO CN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[N@H+](C)C1 ZINC000153418009 531599404 /nfs/dbraw/zinc/59/94/04/531599404.db2.gz USSAXBJKWTYDSK-HOTGVXAUSA-N 1 0 394.313 2.355 20 0 GEADRO COc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1I ZINC000153529058 531602443 /nfs/dbraw/zinc/60/24/43/531602443.db2.gz DDOJHGXBTYGXQK-UHFFFAOYSA-N 1 0 388.249 2.466 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000153516209 531602849 /nfs/dbraw/zinc/60/28/49/531602849.db2.gz HHFBFMYLSWKRMY-OAHLLOKOSA-N 1 0 396.329 2.397 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000153740567 531606628 /nfs/dbraw/zinc/60/66/28/531606628.db2.gz ABSZYZGWMFKCII-UHFFFAOYSA-N 1 0 390.347 2.499 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000153932401 531611571 /nfs/dbraw/zinc/61/15/71/531611571.db2.gz HAPQGYXKPIVOKM-FRRDWIJNSA-N 1 0 397.317 2.265 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000153799035 531610026 /nfs/dbraw/zinc/61/00/26/531610026.db2.gz NYSGNNHTBFYFAD-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO CC(C)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000153975360 531613889 /nfs/dbraw/zinc/61/38/89/531613889.db2.gz VKEYGJFGYUJQOY-HNNXBMFYSA-N 1 0 382.302 2.107 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000154422957 531625796 /nfs/dbraw/zinc/62/57/96/531625796.db2.gz FJFWHSZJDKQDEP-CYBMUJFWSA-N 1 0 397.317 2.424 20 0 GEADRO O=C(CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)Nc1ccc(Br)cc1 ZINC000154729518 531629636 /nfs/dbraw/zinc/62/96/36/531629636.db2.gz SFGJQNLCBXBIBJ-CQDKDKBSSA-N 1 0 380.286 2.425 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1ccsc1 ZINC000154722860 531629783 /nfs/dbraw/zinc/62/97/83/531629783.db2.gz KLTSJRATBNUVTI-CABCVRRESA-N 1 0 389.587 2.211 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000154817471 531635181 /nfs/dbraw/zinc/63/51/81/531635181.db2.gz XDJSPNMCXVJYIZ-UHFFFAOYSA-N 1 0 385.917 2.078 20 0 GEADRO CC(C)[C@H](CNC(=O)COc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000042578797 531669647 /nfs/dbraw/zinc/66/96/47/531669647.db2.gz GKQUWEWJEPUDES-KRWDZBQOSA-N 1 0 398.345 2.216 20 0 GEADRO CC(C)[C@@H](CNC(=O)COc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000042578794 531670623 /nfs/dbraw/zinc/67/06/23/531670623.db2.gz GKQUWEWJEPUDES-QGZVFWFLSA-N 1 0 398.345 2.216 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000155055219 531653981 /nfs/dbraw/zinc/65/39/81/531653981.db2.gz UIGWBEUSEASYGB-UHFFFAOYSA-N 1 0 383.290 2.162 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)C[NH+]1CCCCC1 ZINC000155058221 531654672 /nfs/dbraw/zinc/65/46/72/531654672.db2.gz AERVXMLDAVFGAA-GFCCVEGCSA-N 1 0 383.290 2.021 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000036296769 531658213 /nfs/dbraw/zinc/65/82/13/531658213.db2.gz IKMLJGFPZDSGFX-UHFFFAOYSA-N 1 0 377.304 2.207 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000036300093 531659683 /nfs/dbraw/zinc/65/96/83/531659683.db2.gz IKTOWLHSNKDTFW-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)CSc1nnnn1C1CC1)c1ccsc1 ZINC000041441123 531664711 /nfs/dbraw/zinc/66/47/11/531664711.db2.gz PZAWLURGGZGXIC-CQSZACIVSA-N 1 0 380.543 2.361 20 0 GEADRO Cc1ccc(C(=O)NC2CCN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)s1 ZINC000155217954 531665822 /nfs/dbraw/zinc/66/58/22/531665822.db2.gz FGNQVALMARTGAL-HNNXBMFYSA-N 1 0 381.567 2.215 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1ccccc1I ZINC000041533428 531665963 /nfs/dbraw/zinc/66/59/63/531665963.db2.gz LBJGBVKPMOKSMB-UHFFFAOYSA-N 1 0 388.249 2.133 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000155352456 531678536 /nfs/dbraw/zinc/67/85/36/531678536.db2.gz MAUVQFVIXRDKJB-GHMZBOCLSA-N 1 0 378.270 2.455 20 0 GEADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000155444942 531684429 /nfs/dbraw/zinc/68/44/29/531684429.db2.gz PGNIFVMNVXLMHP-LRDDRELGSA-N 1 0 384.318 2.287 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000155539948 531688280 /nfs/dbraw/zinc/68/82/80/531688280.db2.gz FMKMEJGETOMBKW-QWHCGFSZSA-N 1 0 382.302 2.292 20 0 GEADRO CS(=O)(=O)NCCC[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000155544366 531688304 /nfs/dbraw/zinc/68/83/04/531688304.db2.gz OYXXNSDHAAMCRO-UHFFFAOYSA-N 1 0 389.237 2.497 20 0 GEADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1cn(C2CC[NH2+]CC2)nn1 ZINC000155622778 531692273 /nfs/dbraw/zinc/69/22/73/531692273.db2.gz LISGARMBCYYGKH-OAHLLOKOSA-N 1 0 390.285 2.382 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Br)sc1C ZINC000155617944 531692412 /nfs/dbraw/zinc/69/24/12/531692412.db2.gz XMELZRFEGLBMAC-NSHDSACASA-N 1 0 399.376 2.454 20 0 GEADRO O=C(N[C@H]1CCc2c1cccc2Br)c1cn(C2CC[NH2+]CC2)nn1 ZINC000155622665 531692898 /nfs/dbraw/zinc/69/28/98/531692898.db2.gz LISGARMBCYYGKH-HNNXBMFYSA-N 1 0 390.285 2.382 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000047148125 531711909 /nfs/dbraw/zinc/71/19/09/531711909.db2.gz QVSWTYOOFQLPCI-CYBMUJFWSA-N 1 0 382.302 2.027 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000156225516 531722862 /nfs/dbraw/zinc/72/28/62/531722862.db2.gz BUQAAVMFOYIYTF-WDEREUQCSA-N 1 0 378.270 2.490 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156220335 531723588 /nfs/dbraw/zinc/72/35/88/531723588.db2.gz KRGXVMQIFBHHCB-OLZOCXBDSA-N 1 0 383.290 2.238 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1Cl ZINC000156254638 531724170 /nfs/dbraw/zinc/72/41/70/531724170.db2.gz LPULZUUVTPNCNG-IUCAKERBSA-N 1 0 397.722 2.482 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1Cl ZINC000156254399 531725847 /nfs/dbraw/zinc/72/58/47/531725847.db2.gz LPULZUUVTPNCNG-BDAKNGLRSA-N 1 0 397.722 2.482 20 0 GEADRO CN(CC(=O)NCCC[NH+]1CCCC1)C(=O)c1ccc(Br)s1 ZINC000048398764 531730473 /nfs/dbraw/zinc/73/04/73/531730473.db2.gz JRFPEQHATOETIQ-UHFFFAOYSA-N 1 0 388.331 2.185 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NC[C@H]([NH3+])C(C)C)CC2=O)ccc1Br ZINC000157182801 531731949 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CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000157855782 531757677 /nfs/dbraw/zinc/75/76/77/531757677.db2.gz QUWMIVMZESDNIY-GXTWGEPZSA-N 1 0 387.933 2.274 20 0 GEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2nnc(N)s2)CC1 ZINC000053350468 531760830 /nfs/dbraw/zinc/76/08/30/531760830.db2.gz XSKGZPAHSHWBFP-UHFFFAOYSA-N 1 0 377.539 2.302 20 0 GEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)C[C@@H]3CSCCS3)cc2)CC1 ZINC000158049199 531764658 /nfs/dbraw/zinc/76/46/58/531764658.db2.gz VNDSALJACAURNC-GOSISDBHSA-N 1 0 379.595 2.289 20 0 GEADRO O=C(Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1)c1ccc(Br)o1 ZINC000159350895 531780360 /nfs/dbraw/zinc/78/03/60/531780360.db2.gz FPAWFRBDBZCUDG-UHFFFAOYSA-N 1 0 378.226 2.340 20 0 GEADRO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COC1CCOCC1 ZINC000158186230 531769246 /nfs/dbraw/zinc/76/92/46/531769246.db2.gz GPXPOYZVNLGQFY-CQSZACIVSA-N 1 0 378.296 2.344 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000158247279 531770866 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CC(C)[N@H+](CCCOc1cccc(I)c1)CC(N)=O ZINC000064139145 531864155 /nfs/dbraw/zinc/86/41/55/531864155.db2.gz XTBSMAWZMLKRIE-UHFFFAOYSA-N 1 0 376.238 2.256 20 0 GEADRO C[C@H](CCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000163834823 531865010 /nfs/dbraw/zinc/86/50/10/531865010.db2.gz NHXXMSXXNJRKJW-RISCZKNCSA-N 1 0 380.432 2.077 20 0 GEADRO C[C@@H](CCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000163834711 531865474 /nfs/dbraw/zinc/86/54/74/531865474.db2.gz NHXXMSXXNJRKJW-FZMZJTMJSA-N 1 0 380.432 2.077 20 0 GEADRO C[C@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000167284570 531876740 /nfs/dbraw/zinc/87/67/40/531876740.db2.gz IOMKCGOHHBMRCD-VIFPVBQESA-N 1 0 380.208 2.464 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1csc(S(N)(=O)=O)c1)c1ccsc1 ZINC000068015659 531891881 /nfs/dbraw/zinc/89/18/81/531891881.db2.gz RXPSPDKSZSLWLT-CYBMUJFWSA-N 1 0 387.552 2.270 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000171148704 531896473 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CC[NH+](CC)CCOC1CCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000074974408 531918780 /nfs/dbraw/zinc/91/87/80/531918780.db2.gz OEGNYDPQKZCMME-CALCHBBNSA-N 1 0 375.579 2.032 20 0 GEADRO CC(C)(C)[S@](=O)CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000077777211 531920326 /nfs/dbraw/zinc/92/03/26/531920326.db2.gz DZSLSHPKWNBSPS-DEOSSOPVSA-N 1 0 375.604 2.194 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(I)cc1 ZINC000091323958 531922963 /nfs/dbraw/zinc/92/29/63/531922963.db2.gz JNTZXQFUJNQRAS-GXFFZTMASA-N 1 0 394.278 2.087 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1sccc1Br ZINC000171905408 531924493 /nfs/dbraw/zinc/92/44/93/531924493.db2.gz VYIHYXHQAQUSSE-LLVKDONJSA-N 1 0 376.320 2.421 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(Br)c(F)c1 ZINC000171905369 531925046 /nfs/dbraw/zinc/92/50/46/531925046.db2.gz NGVYPLBSVQNXRT-CYBMUJFWSA-N 1 0 388.281 2.498 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cnn2cc(Br)cnc12 ZINC000094123244 531931397 /nfs/dbraw/zinc/93/13/97/531931397.db2.gz RWXDWKXUXXZXCN-GFCCVEGCSA-N 1 0 378.274 2.239 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000094134514 531931500 /nfs/dbraw/zinc/93/15/00/531931500.db2.gz KKCGEUDFKBHBOT-UHFFFAOYSA-N 1 0 392.301 2.440 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000172141951 531936779 /nfs/dbraw/zinc/93/67/79/531936779.db2.gz DKSVYRXEFYVLPL-CQSZACIVSA-N 1 0 387.933 2.097 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000097588878 531937319 /nfs/dbraw/zinc/93/73/19/531937319.db2.gz HFLNLYRUMQQBQC-UHFFFAOYSA-N 1 0 380.341 2.251 20 0 GEADRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@](C)(O)CO ZINC000097514768 531937740 /nfs/dbraw/zinc/93/77/40/531937740.db2.gz LWHQZZUASACHGE-CYBMUJFWSA-N 1 0 397.107 2.443 20 0 GEADRO O=C(COc1ccc(Br)cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000097590494 531938025 /nfs/dbraw/zinc/93/80/25/531938025.db2.gz NYATXTFISPZDQV-AWEZNQCLSA-N 1 0 397.313 2.445 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172413062 531951894 /nfs/dbraw/zinc/95/18/94/531951894.db2.gz ZXAZDSASIBQYDI-UHFFFAOYSA-N 1 0 385.917 2.078 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000113750841 531950923 /nfs/dbraw/zinc/95/09/23/531950923.db2.gz NVNZCUITCYXLPG-NSHDSACASA-N 1 0 377.304 2.172 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000172552519 531957181 /nfs/dbraw/zinc/95/71/81/531957181.db2.gz YNIREYFEFAYMSP-UHFFFAOYSA-N 1 0 384.249 2.223 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000172476828 531954324 /nfs/dbraw/zinc/95/43/24/531954324.db2.gz IKHFIFCIUHEVKT-AWEZNQCLSA-N 1 0 395.345 2.153 20 0 GEADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000119465167 531969077 /nfs/dbraw/zinc/96/90/77/531969077.db2.gz UYTJDVOGJWBHAV-ZIAGYGMSSA-N 1 0 386.480 2.180 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1nc(Br)cs1 ZINC000120169791 531976880 /nfs/dbraw/zinc/97/68/80/531976880.db2.gz DRSYWSNMJNBSLP-NEPJUHHUSA-N 1 0 388.331 2.403 20 0 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CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000173710138 532027255 /nfs/dbraw/zinc/02/72/55/532027255.db2.gz ZOPZJOSMDQDFGJ-OAHLLOKOSA-N 1 0 394.313 2.281 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000173727745 532029540 /nfs/dbraw/zinc/02/95/40/532029540.db2.gz KKKWSCJSBUFLOB-LLVKDONJSA-N 1 0 386.265 2.327 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000173728416 532029417 /nfs/dbraw/zinc/02/94/17/532029417.db2.gz KRYFXGUXEOCLML-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000173732728 532029071 /nfs/dbraw/zinc/02/90/71/532029071.db2.gz GOMFDAVICSFKDY-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000173735068 532029728 /nfs/dbraw/zinc/02/97/28/532029728.db2.gz QFDZJDHHNZLNCA-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000173741034 532030973 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20 0 GEADRO COc1ccc(Br)c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000121749794 532045610 /nfs/dbraw/zinc/04/56/10/532045610.db2.gz BFQMXYQFAAFVOX-CYBMUJFWSA-N 1 0 384.318 2.071 20 0 GEADRO C[NH2+]CCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000121719039 532043653 /nfs/dbraw/zinc/04/36/53/532043653.db2.gz GQZCVWJJFWKHFO-UHFFFAOYSA-N 1 0 378.274 2.247 20 0 GEADRO C[NH+]1CCC(CCNC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000121718999 532043959 /nfs/dbraw/zinc/04/39/59/532043959.db2.gz HXPFIKHTTSGYKT-UHFFFAOYSA-N 1 0 382.302 2.027 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc([C@@H]3CCCO3)s2)CC[C@H]1C(F)(F)F ZINC000632978845 532044023 /nfs/dbraw/zinc/04/40/23/532044023.db2.gz BNWBKMGSILWFII-BBBLOLIVSA-N 1 0 379.408 2.381 20 0 GEADRO CCc1nsc(N2CCCN(CC(=O)Nc3ccc(Cl)cn3)CC2)n1 ZINC000174046076 532047458 /nfs/dbraw/zinc/04/74/58/532047458.db2.gz NAVPRGVTQCAIPM-UHFFFAOYSA-N 1 0 380.905 2.300 20 0 GEADRO CCCN(CC(=O)Nc1c(F)cc(F)cc1Br)CC(=O)N(C)C ZINC000174127415 532050036 /nfs/dbraw/zinc/05/00/36/532050036.db2.gz 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FHVFKFXAGWJLFL-CQSZACIVSA-N 1 0 396.329 2.369 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Br)n1 ZINC000122375502 532067682 /nfs/dbraw/zinc/06/76/82/532067682.db2.gz OYAFNZJYPSMMSB-OCCSQVGLSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCOCCS(C)(=O)=O ZINC000174512482 532068184 /nfs/dbraw/zinc/06/81/84/532068184.db2.gz JCGSLCZCZFMZDJ-UHFFFAOYSA-N 1 0 389.880 2.124 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000122477022 532072111 /nfs/dbraw/zinc/07/21/11/532072111.db2.gz RTVLWAAWJXCKDB-LRDDRELGSA-N 1 0 386.901 2.231 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC1 ZINC000122508782 532072349 /nfs/dbraw/zinc/07/23/49/532072349.db2.gz SNTUJFOVBANWTK-XJKSGUPXSA-N 1 0 394.313 2.258 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000122543896 532074517 /nfs/dbraw/zinc/07/45/17/532074517.db2.gz HNYFUJGFPPWHDH-CYBMUJFWSA-N 1 0 378.519 2.387 20 0 GEADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C2 ZINC000174825561 532080026 /nfs/dbraw/zinc/08/00/26/532080026.db2.gz LLWKBXBNQXTLBX-QWHCGFSZSA-N 1 0 386.905 2.412 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC[N@@H+]1C ZINC000122872426 532085956 /nfs/dbraw/zinc/08/59/56/532085956.db2.gz PGLIZWDOYBWBDI-QWHCGFSZSA-N 1 0 387.933 2.145 20 0 GEADRO CCOC(=O)c1nc(NC[C@H](O)C[NH+]2CCCCC2)ccc1Br ZINC000603284500 532087327 /nfs/dbraw/zinc/08/73/27/532087327.db2.gz RMVMBJJHFAUFLT-LBPRGKRZSA-N 1 0 386.290 2.280 20 0 GEADRO COc1cc(NC(=O)NCC2CC[NH+](CCO)CC2)ccc1Br ZINC000175013777 532086523 /nfs/dbraw/zinc/08/65/23/532086523.db2.gz FKDKALBJGKHIAQ-UHFFFAOYSA-N 1 0 386.290 2.284 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)C1 ZINC000175316600 532099324 /nfs/dbraw/zinc/09/93/24/532099324.db2.gz HZOOSTIXDZXGAY-LBPRGKRZSA-N 1 0 391.331 2.420 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000123113639 532093047 /nfs/dbraw/zinc/09/30/47/532093047.db2.gz KWMGIRNWBRHYEA-QGZVFWFLSA-N 1 0 398.345 2.483 20 0 GEADRO CN(CCc1ccccc1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000123147149 532093961 /nfs/dbraw/zinc/09/39/61/532093961.db2.gz KBBJVZRIGFJJLJ-UHFFFAOYSA-N 1 0 381.885 2.100 20 0 GEADRO Cc1cc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)c(Cl)cc1F ZINC000123221652 532095940 /nfs/dbraw/zinc/09/59/40/532095940.db2.gz VIEAEAJMVNYVFK-UHFFFAOYSA-N 1 0 377.913 2.092 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccc(Br)cc1 ZINC000123227199 532096121 /nfs/dbraw/zinc/09/61/21/532096121.db2.gz DTEVQMQEFPGOTM-SJORKVTESA-N 1 0 396.329 2.473 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000175279669 532096281 /nfs/dbraw/zinc/09/62/81/532096281.db2.gz NKGJSKMDWSBSAO-LBPRGKRZSA-N 1 0 391.331 2.481 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000175262298 532096525 /nfs/dbraw/zinc/09/65/25/532096525.db2.gz UYXMAZJZJBORTQ-GFCCVEGCSA-N 1 0 389.315 2.317 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000175397166 532101281 /nfs/dbraw/zinc/10/12/81/532101281.db2.gz OMLBRILLJMWEKJ-LLVKDONJSA-N 1 0 388.331 2.183 20 0 GEADRO CC1(C)CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC[NH2+]1 ZINC000175414546 532102813 /nfs/dbraw/zinc/10/28/13/532102813.db2.gz CEQDZFGQSTWVJM-GFCCVEGCSA-N 1 0 380.286 2.012 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000175454469 532103616 /nfs/dbraw/zinc/10/36/16/532103616.db2.gz IPIOBDJRXQJFAT-UHFFFAOYSA-N 1 0 376.320 2.089 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000123868449 532109723 /nfs/dbraw/zinc/10/97/23/532109723.db2.gz JZBPMKPRGXBIRC-LBPRGKRZSA-N 1 0 382.507 2.356 20 0 GEADRO C[N@H+](CC(=O)Nc1cccc(I)c1)CC1(O)CCCC1 ZINC000124240780 532116878 /nfs/dbraw/zinc/11/68/78/532116878.db2.gz OZHLTMASGCRCBM-UHFFFAOYSA-N 1 0 388.249 2.467 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1Cl ZINC000124289787 532117690 /nfs/dbraw/zinc/11/76/90/532117690.db2.gz XCMWGNAMHUFVSK-RISCZKNCSA-N 1 0 388.946 2.496 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000124351890 532118704 /nfs/dbraw/zinc/11/87/04/532118704.db2.gz UYQNBUBORZWMEQ-BDAKNGLRSA-N 1 0 383.258 2.475 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000176072834 532124714 /nfs/dbraw/zinc/12/47/14/532124714.db2.gz FWAZYUIVSGFLFQ-UHFFFAOYSA-N 1 0 384.249 2.270 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1Br ZINC000175900601 532119211 /nfs/dbraw/zinc/11/92/11/532119211.db2.gz SCFJLTBBSORLBV-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000175936694 532120115 /nfs/dbraw/zinc/12/01/15/532120115.db2.gz AELHLHNGQKKXRM-UHFFFAOYSA-N 1 0 380.645 2.248 20 0 GEADRO CCOCCNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000175923741 532120272 /nfs/dbraw/zinc/12/02/72/532120272.db2.gz LNKYNGHLKQTYLX-UHFFFAOYSA-N 1 0 385.302 2.197 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000124400945 532120904 /nfs/dbraw/zinc/12/09/04/532120904.db2.gz BYJXMWOOZAOKLI-DGCLKSJQSA-N 1 0 382.507 2.436 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000124401189 532121143 /nfs/dbraw/zinc/12/11/43/532121143.db2.gz BYJXMWOOZAOKLI-WCQYABFASA-N 1 0 382.507 2.436 20 0 GEADRO Cc1csc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000175981589 532122028 /nfs/dbraw/zinc/12/20/28/532122028.db2.gz CFOZQEVCJYHEBJ-UHFFFAOYSA-N 1 0 378.523 2.480 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)Cn2cc(Br)ccc2=O)([NH+](C)C)C1 ZINC000124487833 532123172 /nfs/dbraw/zinc/12/31/72/532123172.db2.gz CDVWKCOYAMFLGF-SUMWQHHRSA-N 1 0 384.318 2.238 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000124542237 532123995 /nfs/dbraw/zinc/12/39/95/532123995.db2.gz IMIRAGLBQLGRQI-CYBMUJFWSA-N 1 0 394.313 2.122 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)NCc2ccccc2Br)CC1 ZINC000175693023 532112215 /nfs/dbraw/zinc/11/22/15/532112215.db2.gz OJDGLQZGNUMYAU-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2COc3ccc(Br)cc32)cn1 ZINC000124131709 532114730 /nfs/dbraw/zinc/11/47/30/532114730.db2.gz UIZKWPRIMXSJRT-CQSZACIVSA-N 1 0 379.258 2.322 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000124145459 532114901 /nfs/dbraw/zinc/11/49/01/532114901.db2.gz NMYCTNGAGSAKQI-UKRRQHHQSA-N 1 0 385.302 2.398 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000124193534 532115748 /nfs/dbraw/zinc/11/57/48/532115748.db2.gz AERNTCNMECQYFS-UHFFFAOYSA-N 1 0 398.301 2.088 20 0 GEADRO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCCN2CCc3sccc3C2)C1 ZINC000176451136 532138264 /nfs/dbraw/zinc/13/82/64/532138264.db2.gz BFOFWOPDFVEUTO-RVFQGNMQSA-N 1 0 383.583 2.485 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000176083862 532125833 /nfs/dbraw/zinc/12/58/33/532125833.db2.gz BVVJLSAZTFXUFN-UHFFFAOYSA-N 1 0 386.265 2.327 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000176159860 532127997 /nfs/dbraw/zinc/12/79/97/532127997.db2.gz JUVPTZMFCJLCTL-STQMWFEESA-N 1 0 387.571 2.143 20 0 GEADRO O=C(NCc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176162355 532128344 /nfs/dbraw/zinc/12/83/44/532128344.db2.gz VAABGZMLCUNTKJ-HNNXBMFYSA-N 1 0 382.302 2.313 20 0 GEADRO COc1nc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ncc1Br ZINC000176235876 532131004 /nfs/dbraw/zinc/13/10/04/532131004.db2.gz NWMSBJMZPOHHJF-CQSZACIVSA-N 1 0 393.285 2.079 20 0 GEADRO CNC(=O)[C@H](C)C[N@H+](C)CCCOc1cccc(I)c1 ZINC000176373658 532134857 /nfs/dbraw/zinc/13/48/57/532134857.db2.gz YLPDQTGDMKLIEJ-GFCCVEGCSA-N 1 0 390.265 2.374 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1c(F)cc(Br)cc1F ZINC000176409445 532136004 /nfs/dbraw/zinc/13/60/04/532136004.db2.gz HTFFDOORFSSKGA-UHFFFAOYSA-N 1 0 377.229 2.304 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(I)cc1 ZINC000176855465 532152432 /nfs/dbraw/zinc/15/24/32/532152432.db2.gz LPOWVPIWRPMBBO-AWEZNQCLSA-N 1 0 390.265 2.378 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000176904138 532153965 /nfs/dbraw/zinc/15/39/65/532153965.db2.gz POTVAJKYWZDBJB-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000125675418 532141089 /nfs/dbraw/zinc/14/10/89/532141089.db2.gz IMIRAGLBQLGRQI-ZDUSSCGKSA-N 1 0 394.313 2.122 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000176617180 532143531 /nfs/dbraw/zinc/14/35/31/532143531.db2.gz CALGRBCAKMUSND-JTQLQIEISA-N 1 0 388.693 2.451 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1CC1 ZINC000125969050 532144321 /nfs/dbraw/zinc/14/43/21/532144321.db2.gz IILBAFPZYFYBPO-BBRMVZONSA-N 1 0 394.313 2.258 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000176922269 532156069 /nfs/dbraw/zinc/15/60/69/532156069.db2.gz CHBYMMLTGKJHOM-UHFFFAOYSA-N 1 0 380.341 2.298 20 0 GEADRO C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[NH+]1CCCCCC1 ZINC000127695397 532157019 /nfs/dbraw/zinc/15/70/19/532157019.db2.gz KDBXJUMAGYCXJU-LBPRGKRZSA-N 1 0 393.962 2.061 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000177016843 532159703 /nfs/dbraw/zinc/15/97/03/532159703.db2.gz OQFBGWSGXLVRTF-LBPRGKRZSA-N 1 0 398.301 2.115 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)CSc2nnc(-c3cccs3)n2C)C[N@@H+]1C1CC1 ZINC000177072917 532160983 /nfs/dbraw/zinc/16/09/83/532160983.db2.gz AYGUHDVDFWARLX-NEPJUHHUSA-N 1 0 377.539 2.377 20 0 GEADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129476646 532179993 /nfs/dbraw/zinc/17/99/93/532179993.db2.gz GZANNCLBPWAHOU-ZBFHGGJFSA-N 1 0 389.323 2.387 20 0 GEADRO COc1cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)cc(I)c1OC ZINC000129659898 532182026 /nfs/dbraw/zinc/18/20/26/532182026.db2.gz ANYBVILKGBXWRK-CMPLNLGQSA-N 1 0 389.233 2.335 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000129903031 532185548 /nfs/dbraw/zinc/18/55/48/532185548.db2.gz OIPALXRTBKAAKB-HUUCEWRRSA-N 1 0 384.567 2.467 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000177535036 532174216 /nfs/dbraw/zinc/17/42/16/532174216.db2.gz SNDTVKNUDNTZOX-NSHDSACASA-N 1 0 375.803 2.433 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000129249647 532174799 /nfs/dbraw/zinc/17/47/99/532174799.db2.gz YAOYBDISOPAAKQ-UHFFFAOYSA-N 1 0 378.274 2.198 20 0 GEADRO CNC(=O)Cc1nc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cs1 ZINC000177548112 532175704 /nfs/dbraw/zinc/17/57/04/532175704.db2.gz YBIJRXBPEWCPEQ-UHFFFAOYSA-N 1 0 378.929 2.403 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cc(Cl)ccc1Br ZINC000129930182 532186927 /nfs/dbraw/zinc/18/69/27/532186927.db2.gz ZSPNLDALEZVYGS-GFCCVEGCSA-N 1 0 388.737 2.397 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000131955610 532206606 /nfs/dbraw/zinc/20/66/06/532206606.db2.gz CKEFEVCCCJMQPW-UHFFFAOYSA-N 1 0 399.563 2.099 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000178701270 532210369 /nfs/dbraw/zinc/21/03/69/532210369.db2.gz CSBBPSNAHQLTDW-JTQLQIEISA-N 1 0 378.274 2.374 20 0 GEADRO COC1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000178724122 532211228 /nfs/dbraw/zinc/21/12/28/532211228.db2.gz VJJVZEBPKUUXOL-AWEZNQCLSA-N 1 0 396.329 2.160 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)c2cccc(Br)c2I)C1 ZINC000132263265 532211535 /nfs/dbraw/zinc/21/15/35/532211535.db2.gz NNGCTMATLAGBCC-ZETCQYMHSA-N 1 0 395.038 2.227 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178784515 532212611 /nfs/dbraw/zinc/21/26/11/532212611.db2.gz VELFWOOUSGQRCE-CYBMUJFWSA-N 1 0 386.901 2.233 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C1 ZINC000178822105 532213614 /nfs/dbraw/zinc/21/36/14/532213614.db2.gz ZUNQPLQCGPTKKT-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NCC[C@H]3CC[NH2+]C3)CC2=O)ccc1Br ZINC000178950746 532218265 /nfs/dbraw/zinc/21/82/65/532218265.db2.gz YBXOCTPFSWUYOU-KGLIPLIRSA-N 1 0 394.313 2.226 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000178958344 532218449 /nfs/dbraw/zinc/21/84/49/532218449.db2.gz IPGWLVQHGMTVFY-CJNGLKHVSA-N 1 0 383.945 2.307 20 0 GEADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000178949714 532218809 /nfs/dbraw/zinc/21/88/09/532218809.db2.gz HWQGCZAICDZILY-VIFPVBQESA-N 1 0 387.221 2.450 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1ccco1)N(C)C ZINC000178495119 532202836 /nfs/dbraw/zinc/20/28/36/532202836.db2.gz ZXYRXEGBBYECBS-CYBMUJFWSA-N 1 0 386.857 2.301 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)N[C@H](CO)c2cccc(Br)c2)n1 ZINC000178467051 532203381 /nfs/dbraw/zinc/20/33/81/532203381.db2.gz QFGBHPNGWIHBLR-CQSZACIVSA-N 1 0 396.289 2.062 20 0 GEADRO COCCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000178519599 532204522 /nfs/dbraw/zinc/20/45/22/532204522.db2.gz NITMRKJOGJTFHJ-OCCSQVGLSA-N 1 0 393.265 2.436 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000179562589 532235902 /nfs/dbraw/zinc/23/59/02/532235902.db2.gz KXATYJOVCIVGKI-NWDGAFQWSA-N 1 0 397.317 2.328 20 0 GEADRO COc1cc(Br)ccc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000133354940 532232417 /nfs/dbraw/zinc/23/24/17/532232417.db2.gz WKNCWACEEUDJFD-MRXNPFEDSA-N 1 0 398.345 2.460 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000179485984 532232600 /nfs/dbraw/zinc/23/26/00/532232600.db2.gz FIHMVDTXMURQHE-JLSDUUJJSA-N 1 0 393.329 2.259 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cncc(I)c3)CC[C@@H]21 ZINC000133357531 532232910 /nfs/dbraw/zinc/23/29/10/532232910.db2.gz WENRTKOMDSYYQI-FZMZJTMJSA-N 1 0 385.249 2.243 20 0 GEADRO COc1cc(Br)ccc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000133377037 532233677 /nfs/dbraw/zinc/23/36/77/532233677.db2.gz FQPCXSIEOKPFFC-CYBMUJFWSA-N 1 0 384.318 2.071 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000179015442 532220336 /nfs/dbraw/zinc/22/03/36/532220336.db2.gz BKQNNSKVSKIZKV-CJNGLKHVSA-N 1 0 382.302 2.084 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000179015472 532220540 /nfs/dbraw/zinc/22/05/40/532220540.db2.gz BKQNNSKVSKIZKV-XJKSGUPXSA-N 1 0 382.302 2.084 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000179200981 532224179 /nfs/dbraw/zinc/22/41/79/532224179.db2.gz MYMDAXYOYLEXNM-SECBINFHSA-N 1 0 382.349 2.370 20 0 GEADRO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)[C@@H]1CO ZINC000133025379 532225841 /nfs/dbraw/zinc/22/58/41/532225841.db2.gz ADMJVLFEHARGLA-SMDDNHRTSA-N 1 0 388.249 2.323 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000179674692 532241052 /nfs/dbraw/zinc/24/10/52/532241052.db2.gz VSFMGNWRBDAWEA-INIZCTEOSA-N 1 0 385.961 2.439 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179730035 532242125 /nfs/dbraw/zinc/24/21/25/532242125.db2.gz OXONZEKRCRRNPS-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000179757689 532243102 /nfs/dbraw/zinc/24/31/02/532243102.db2.gz GZGVKSDVAOAHEY-UHFFFAOYSA-N 1 0 385.302 2.377 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000179760283 532243220 /nfs/dbraw/zinc/24/32/20/532243220.db2.gz JSWFQYHKDXGXGU-UHFFFAOYSA-N 1 0 399.285 2.097 20 0 GEADRO COc1ccc(Br)c(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000133882585 532244698 /nfs/dbraw/zinc/24/46/98/532244698.db2.gz WSWSERBEHBRCJJ-OAHLLOKOSA-N 1 0 399.329 2.353 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000133915823 532245610 /nfs/dbraw/zinc/24/56/10/532245610.db2.gz UJLCUOQWDISSTL-CYBMUJFWSA-N 1 0 382.302 2.496 20 0 GEADRO C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180014240 532253981 /nfs/dbraw/zinc/25/39/81/532253981.db2.gz CEHSVFFRIIARGX-HNNXBMFYSA-N 1 0 383.583 2.346 20 0 GEADRO C[C@H](CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000179892450 532249019 /nfs/dbraw/zinc/24/90/19/532249019.db2.gz SSNOCZYOZHNJSW-DYVFJYSZSA-N 1 0 388.339 2.417 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Br)n1 ZINC000179891851 532249088 /nfs/dbraw/zinc/24/90/88/532249088.db2.gz MBVKULNRJBFYCX-TZMCWYRMSA-N 1 0 395.301 2.034 20 0 GEADRO CCOC(=O)C1(NC(=O)Cc2ccc(Br)cc2)CC[NH+](C)CC1 ZINC000134329694 532254126 /nfs/dbraw/zinc/25/41/26/532254126.db2.gz ZFKXAJGVKWYTLT-UHFFFAOYSA-N 1 0 383.286 2.135 20 0 GEADRO NC(=O)NC(=O)CCC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179553009 532236021 /nfs/dbraw/zinc/23/60/21/532236021.db2.gz OMAZAUXPTAIZLS-UHFFFAOYSA-N 1 0 387.311 2.129 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccnc1Br)C[NH+]1CCCCC1 ZINC000179556275 532236040 /nfs/dbraw/zinc/23/60/40/532236040.db2.gz HKBIKXBVNWSXIZ-LBPRGKRZSA-N 1 0 383.290 2.021 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ncc(Br)cc2Br)CCO1 ZINC000135331134 532271122 /nfs/dbraw/zinc/27/11/22/532271122.db2.gz GOCXDGQLXNCBPY-PELKAZGASA-N 1 0 379.096 2.155 20 0 GEADRO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000134362264 532254630 /nfs/dbraw/zinc/25/46/30/532254630.db2.gz ZJEINAMTGOTPOQ-ZDUSSCGKSA-N 1 0 391.896 2.210 20 0 GEADRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 ZINC000180078575 532255812 /nfs/dbraw/zinc/25/58/12/532255812.db2.gz WWTQMRUYYPZRMH-INIZCTEOSA-N 1 0 388.295 2.405 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180152292 532258852 /nfs/dbraw/zinc/25/88/52/532258852.db2.gz UENZPBRBXYXWJK-TZMCWYRMSA-N 1 0 380.901 2.312 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000180142265 532259030 /nfs/dbraw/zinc/25/90/30/532259030.db2.gz LDKUULXSTLSRPP-LLVKDONJSA-N 1 0 377.819 2.030 20 0 GEADRO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCCC[C@H](SC)C1 ZINC000134605990 532259341 /nfs/dbraw/zinc/25/93/41/532259341.db2.gz XAPMIQPPHRKTLK-INIZCTEOSA-N 1 0 383.583 2.430 20 0 GEADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000180198671 532260545 /nfs/dbraw/zinc/26/05/45/532260545.db2.gz YUJSMHSHJDCDSJ-CVEARBPZSA-N 1 0 375.296 2.380 20 0 GEADRO C[C@@H](CCS(C)(=O)=O)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000134708428 532262141 /nfs/dbraw/zinc/26/21/41/532262141.db2.gz AOLTVGNOVZCKJV-LSDHHAIUSA-N 1 0 387.571 2.083 20 0 GEADRO CC[NH+](CC)CCCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000180305903 532266670 /nfs/dbraw/zinc/26/66/70/532266670.db2.gz QOMVIPFEQJOZKJ-UHFFFAOYSA-N 1 0 391.331 2.314 20 0 GEADRO Cc1ccc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)c(Cl)c1 ZINC000135079774 532267027 /nfs/dbraw/zinc/26/70/27/532267027.db2.gz OOSMBDNMHMPGDG-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000180352702 532268731 /nfs/dbraw/zinc/26/87/31/532268731.db2.gz QDXITCSJQJJGFK-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO O=C(c1ccc(Br)cc1O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000180348017 532268964 /nfs/dbraw/zinc/26/89/64/532268964.db2.gz HDDLDGLXQRJIME-UHFFFAOYSA-N 1 0 382.302 2.008 20 0 GEADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccc(Br)nc3)C2)CC1 ZINC000180611956 532275433 /nfs/dbraw/zinc/27/54/33/532275433.db2.gz YXJHIBBDOPARBG-HNNXBMFYSA-N 1 0 396.333 2.478 20 0 GEADRO COc1ccc(OC(F)F)c(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000180628198 532276238 /nfs/dbraw/zinc/27/62/38/532276238.db2.gz SPUWBXZJUKZOSJ-UHFFFAOYSA-N 1 0 378.441 2.152 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(F)c(F)c(F)c1 ZINC000180748772 532279798 /nfs/dbraw/zinc/27/97/98/532279798.db2.gz GLFYMBOWBSIASU-AAEUAGOBSA-N 1 0 380.432 2.243 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(Br)cs2)C[C@H]1C ZINC000180756369 532280866 /nfs/dbraw/zinc/28/08/66/532280866.db2.gz VHGAEGWBHQMTIU-GHMZBOCLSA-N 1 0 376.320 2.107 20 0 GEADRO COC[C@H](Cc1ccccc1)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000180798009 532281301 /nfs/dbraw/zinc/28/13/01/532281301.db2.gz YBARDDBHBZGTEF-INIZCTEOSA-N 1 0 376.469 2.098 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCn2cncc2C1 ZINC000135998371 532281517 /nfs/dbraw/zinc/28/15/17/532281517.db2.gz LOBUMNXFIMDYBL-YPMHNXCESA-N 1 0 384.263 2.308 20 0 GEADRO COc1cc(C[NH2+]CC(C)(C)CO)cc(I)c1OC ZINC000136071238 532281880 /nfs/dbraw/zinc/28/18/80/532281880.db2.gz WIOCMYKSRDSUHU-UHFFFAOYSA-N 1 0 379.238 2.417 20 0 GEADRO O[C@@H](CNCc1cnn(-c2ccc(Br)cc2)c1)C[NH+]1CCCC1 ZINC000139533540 532293121 /nfs/dbraw/zinc/29/31/21/532293121.db2.gz XZWCGYQLYHGZDP-KRWDZBQOSA-N 1 0 379.302 2.181 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000181373381 532296294 /nfs/dbraw/zinc/29/62/94/532296294.db2.gz MDMYMIOVBRHTRZ-LBPRGKRZSA-N 1 0 397.317 2.472 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000181378239 532297408 /nfs/dbraw/zinc/29/74/08/532297408.db2.gz ULOHTONLGJTDQE-SMDDNHRTSA-N 1 0 389.315 2.333 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccnc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000181445705 532299140 /nfs/dbraw/zinc/29/91/40/532299140.db2.gz VDKXSLMLGFHLPS-RYUDHWBXSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000181532170 532301064 /nfs/dbraw/zinc/30/10/64/532301064.db2.gz JCVXLKOOLLIEOJ-CYBMUJFWSA-N 1 0 382.507 2.366 20 0 GEADRO CC(C)[NH+](CCNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C(C)C ZINC000150971572 532304826 /nfs/dbraw/zinc/30/48/26/532304826.db2.gz BNZYECGAGXAJSL-UHFFFAOYSA-N 1 0 376.469 2.460 20 0 GEADRO COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000181675364 532304841 /nfs/dbraw/zinc/30/48/41/532304841.db2.gz WUFVRVZJSQMNLU-NEPJUHHUSA-N 1 0 376.906 2.289 20 0 GEADRO O=C(CC(=O)NCC(F)(F)F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000181942422 532307896 /nfs/dbraw/zinc/30/78/96/532307896.db2.gz VECOVBKZAIJASJ-UHFFFAOYSA-N 1 0 377.432 2.145 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)CCC[NH+](C)C ZINC000181940016 532307999 /nfs/dbraw/zinc/30/79/99/532307999.db2.gz IOMBINYEULXTJL-JTQLQIEISA-N 1 0 376.320 2.039 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cc(Br)ccc3F)C2)CC1 ZINC000137694836 532291046 /nfs/dbraw/zinc/29/10/46/532291046.db2.gz HAMAXBUUPVRMON-INIZCTEOSA-N 1 0 398.320 2.369 20 0 GEADRO COC(=O)CC[N@@H+]1CCN(CCOc2ccccc2Br)[C@@H](C)C1 ZINC000182095958 532309113 /nfs/dbraw/zinc/30/91/13/532309113.db2.gz YSCUWCWDKNQIQH-AWEZNQCLSA-N 1 0 385.302 2.397 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCc1cc(F)ccc1Br ZINC000182408367 532312715 /nfs/dbraw/zinc/31/27/15/532312715.db2.gz YHSGFRCJYLKDKE-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000182415158 532312746 /nfs/dbraw/zinc/31/27/46/532312746.db2.gz BQDJFDVTAFKORA-KRWDZBQOSA-N 1 0 376.469 2.446 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000182624450 532315474 /nfs/dbraw/zinc/31/54/74/532315474.db2.gz NWIAYLCVNXWPRA-STQMWFEESA-N 1 0 375.332 2.298 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000182784667 532317620 /nfs/dbraw/zinc/31/76/20/532317620.db2.gz PKVNSPXKDOREEY-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cnc1Br ZINC000182768508 532317639 /nfs/dbraw/zinc/31/76/39/532317639.db2.gz KXXIFGWKICPLFW-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CC(C)N(CCCNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1)S(C)(=O)=O ZINC000182961424 532320046 /nfs/dbraw/zinc/32/00/46/532320046.db2.gz HHWVNXJFOGHSGB-LBPRGKRZSA-N 1 0 395.978 2.228 20 0 GEADRO CC[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000183007254 532320583 /nfs/dbraw/zinc/32/05/83/532320583.db2.gz MIMCAYSZNJVLKX-PBHICJAKSA-N 1 0 384.523 2.014 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000183134012 532321798 /nfs/dbraw/zinc/32/17/98/532321798.db2.gz DVWOVTKDMRLZDK-ZDUSSCGKSA-N 1 0 389.359 2.436 20 0 GEADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cc(F)c(F)cc3I)C[C@@H]12 ZINC000185196039 532337163 /nfs/dbraw/zinc/33/71/63/532337163.db2.gz YKJINITZVIGCML-JPVBRFOXSA-N 1 0 392.187 2.379 20 0 GEADRO C[NH+]1CCC(NC(=O)NC(C)(C)COc2ncccc2Br)CC1 ZINC000185230379 532337350 /nfs/dbraw/zinc/33/73/50/532337350.db2.gz UXRUTIIIYVPVFT-UHFFFAOYSA-N 1 0 385.306 2.395 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185278381 532337536 /nfs/dbraw/zinc/33/75/36/532337536.db2.gz NCKKJEZTKBIXSH-LBPRGKRZSA-N 1 0 398.280 2.195 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000185333837 532337659 /nfs/dbraw/zinc/33/76/59/532337659.db2.gz ITLJGPLHXIWDTR-CYBMUJFWSA-N 1 0 379.448 2.010 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(Cl)cc1F ZINC000185328929 532337669 /nfs/dbraw/zinc/33/76/69/532337669.db2.gz LFVYYBZCUPXUQR-CYBMUJFWSA-N 1 0 377.913 2.092 20 0 GEADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185641237 532338393 /nfs/dbraw/zinc/33/83/93/532338393.db2.gz BJUAFJQQVSWUIP-CQSZACIVSA-N 1 0 387.249 2.404 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000185777598 532338603 /nfs/dbraw/zinc/33/86/03/532338603.db2.gz ANBQYFMSJBHZDL-UHFFFAOYSA-N 1 0 377.304 2.004 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(Br)c(F)c2)C[C@H]1C ZINC000185797113 532338675 /nfs/dbraw/zinc/33/86/75/532338675.db2.gz ASPXVDKXWNABOR-VXGBXAGGSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@H](CNC(=O)N1Cc2cccc(Br)c2C1)C[NH+]1CCN(C)CC1 ZINC000185815819 532338928 /nfs/dbraw/zinc/33/89/28/532338928.db2.gz ZAWMAUYWNWMWBY-CQSZACIVSA-N 1 0 395.345 2.358 20 0 GEADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000185961660 532339351 /nfs/dbraw/zinc/33/93/51/532339351.db2.gz CJDMTYADXCPDIJ-QGZVFWFLSA-N 1 0 380.897 2.320 20 0 GEADRO CC1CC[NH+](CCCCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000186288592 532340323 /nfs/dbraw/zinc/34/03/23/532340323.db2.gz OHNIRWYCEVHATJ-UHFFFAOYSA-N 1 0 382.452 2.236 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000186290222 532340425 /nfs/dbraw/zinc/34/04/25/532340425.db2.gz PJLADGQRVJBKLF-CHWSQXEVSA-N 1 0 382.452 2.092 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000186505673 532341110 /nfs/dbraw/zinc/34/11/10/532341110.db2.gz UXBDOLNCZPUPRG-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186777142 532341899 /nfs/dbraw/zinc/34/18/99/532341899.db2.gz FGWXVPNRGZVFNI-JTQLQIEISA-N 1 0 388.331 2.182 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC1(CO)CC1 ZINC000186813316 532342032 /nfs/dbraw/zinc/34/20/32/532342032.db2.gz HACIAAPUKLGOLG-NSHDSACASA-N 1 0 388.249 2.323 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCSCC1 ZINC000186939542 532342717 /nfs/dbraw/zinc/34/27/17/532342717.db2.gz KDMCYFIXTRDWLA-OAHLLOKOSA-N 1 0 384.567 2.329 20 0 GEADRO CSCC[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1nnc2ccccn21 ZINC000186953022 532342816 /nfs/dbraw/zinc/34/28/16/532342816.db2.gz DHGXCPQZMOADTR-DZGCQCFKSA-N 1 0 382.555 2.326 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000186977969 532342884 /nfs/dbraw/zinc/34/28/84/532342884.db2.gz VTQFMRMDEHANSS-AWEZNQCLSA-N 1 0 384.318 2.402 20 0 GEADRO O=C(Nc1cccc(Br)n1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000183602819 532326758 /nfs/dbraw/zinc/32/67/58/532326758.db2.gz ZSZPBFZLYZZTLT-ZDUSSCGKSA-N 1 0 383.290 2.420 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183614985 532326768 /nfs/dbraw/zinc/32/67/68/532326768.db2.gz CLFLOKXDMIWHGC-LLVKDONJSA-N 1 0 396.285 2.194 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000183657907 532327263 /nfs/dbraw/zinc/32/72/63/532327263.db2.gz GBJGFJBYXCSLDU-SNVBAGLBSA-N 1 0 395.294 2.312 20 0 GEADRO O=S(=O)(CC[NH2+]CC1CCC(C(F)(F)F)CC1)NC[C@H]1CCCCO1 ZINC000183706784 532327961 /nfs/dbraw/zinc/32/79/61/532327961.db2.gz DMQZOYUFUCTUNP-YMAMQOFZSA-N 1 0 386.480 2.433 20 0 GEADRO O=C1[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)CCN1CC(F)(F)F ZINC000183888252 532329581 /nfs/dbraw/zinc/32/95/81/532329581.db2.gz RRPZTXLCADAPEV-NEPJUHHUSA-N 1 0 381.192 2.235 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc(Br)ccc2O)CC1 ZINC000184171079 532330967 /nfs/dbraw/zinc/33/09/67/532330967.db2.gz VUBYGGQJCALQNM-UHFFFAOYSA-N 1 0 384.318 2.301 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000184206562 532331329 /nfs/dbraw/zinc/33/13/29/532331329.db2.gz ZARVAUGTLWIMNN-LBPRGKRZSA-N 1 0 380.543 2.414 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000184335401 532332319 /nfs/dbraw/zinc/33/23/19/532332319.db2.gz IANKZUJUKGVDOY-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000184821167 532334945 /nfs/dbraw/zinc/33/49/45/532334945.db2.gz ASEOLQJWKXFIAD-CYBMUJFWSA-N 1 0 380.436 2.084 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C/c3cc(Br)c4c(c3)OCCO4)C[C@@H]12 ZINC000185013497 532336530 /nfs/dbraw/zinc/33/65/30/532336530.db2.gz PDQACENUJUPPSH-RCQHCYRTSA-N 1 0 393.281 2.429 20 0 GEADRO CC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H](C)Cc1ccsc1 ZINC000187803750 532345701 /nfs/dbraw/zinc/34/57/01/532345701.db2.gz SPGJWVGPIVBYRH-ZDUSSCGKSA-N 1 0 381.523 2.287 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000187828267 532345790 /nfs/dbraw/zinc/34/57/90/532345790.db2.gz OIEUCTSRQOYUQA-LBPRGKRZSA-N 1 0 396.260 2.308 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000188121744 532346711 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CCCNC(=O)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188705902 532349292 /nfs/dbraw/zinc/34/92/92/532349292.db2.gz WIRAEZSIHXEXBX-UHFFFAOYSA-N 1 0 384.318 2.292 20 0 GEADRO COc1nc(N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)ncc1Br ZINC000191351760 532360633 /nfs/dbraw/zinc/36/06/33/532360633.db2.gz DHEDZDNGNMVATH-HNNXBMFYSA-N 1 0 399.333 2.311 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cnc2ccc(Br)cn12 ZINC000188743779 532349359 /nfs/dbraw/zinc/34/93/59/532349359.db2.gz VYNHZZIMUPMPHS-ZDUSSCGKSA-N 1 0 381.318 2.374 20 0 GEADRO C[C@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000188740252 532349466 /nfs/dbraw/zinc/34/94/66/532349466.db2.gz AFRMPEYEJRQMEC-SWLSCSKDSA-N 1 0 397.313 2.229 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCc1ccc(Br)cc1 ZINC000188808099 532349754 /nfs/dbraw/zinc/34/97/54/532349754.db2.gz ZEMZBIMSDSJHEW-AWEZNQCLSA-N 1 0 398.345 2.478 20 0 GEADRO CCC[C@@H]1CN(C(=O)c2nc(Br)cs2)CCN1CCOC ZINC000188972178 532350432 /nfs/dbraw/zinc/35/04/32/532350432.db2.gz MCYFXEIZMMVJGG-LLVKDONJSA-N 1 0 376.320 2.479 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000189210545 532351242 /nfs/dbraw/zinc/35/12/42/532351242.db2.gz BJFZNFZYWQJRMK-UHFFFAOYSA-N 1 0 380.853 2.208 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000189524504 532352584 /nfs/dbraw/zinc/35/25/84/532352584.db2.gz SBKNENZZODWVQA-UHFFFAOYSA-N 1 0 396.285 2.336 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000189770455 532353544 /nfs/dbraw/zinc/35/35/44/532353544.db2.gz ZNAADLRFQGFGOK-UHFFFAOYSA-N 1 0 382.302 2.337 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CC1(O)CCOCC1 ZINC000189771925 532353613 /nfs/dbraw/zinc/35/36/13/532353613.db2.gz HMQXQXZGMRWSMA-CQSZACIVSA-N 1 0 399.329 2.269 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000189831887 532353809 /nfs/dbraw/zinc/35/38/09/532353809.db2.gz BLUAXDJZQJGZHI-UHFFFAOYSA-N 1 0 392.244 2.466 20 0 GEADRO C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000189817196 532353823 /nfs/dbraw/zinc/35/38/23/532353823.db2.gz NUBUXKAQTOCWPW-VIFPVBQESA-N 1 0 376.347 2.199 20 0 GEADRO O[C@H](CN1CCOCC1)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189814069 532353874 /nfs/dbraw/zinc/35/38/74/532353874.db2.gz XHPFLGVEKLGORL-INIZCTEOSA-N 1 0 383.330 2.322 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189942409 532354143 /nfs/dbraw/zinc/35/41/43/532354143.db2.gz IJHDMRZXLVHLOY-CQSZACIVSA-N 1 0 380.432 2.181 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000189950886 532354275 /nfs/dbraw/zinc/35/42/75/532354275.db2.gz KPWRRXDFQOWHAB-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000190010534 532354558 /nfs/dbraw/zinc/35/45/58/532354558.db2.gz IBSJCVFXTLVJRT-NSHDSACASA-N 1 0 378.885 2.470 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000190062042 532354583 /nfs/dbraw/zinc/35/45/83/532354583.db2.gz CQXCHWOWDPDXGC-AWEZNQCLSA-N 1 0 386.539 2.482 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000190082552 532354761 /nfs/dbraw/zinc/35/47/61/532354761.db2.gz XPCZAYRYXBQDEN-WFASDCNBSA-N 1 0 380.286 2.391 20 0 GEADRO C[N@@H+](Cc1cc(Br)c(Cl)s1)C[C@H](O)CN1CCOCC1 ZINC000191387687 532360786 /nfs/dbraw/zinc/36/07/86/532360786.db2.gz DBWCCPFZABEBOL-JTQLQIEISA-N 1 0 383.739 2.289 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000190153094 532355118 /nfs/dbraw/zinc/35/51/18/532355118.db2.gz QQVYTLNSEFQTPQ-UHFFFAOYSA-N 1 0 385.306 2.281 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc(C)c1Br ZINC000190493868 532356348 /nfs/dbraw/zinc/35/63/48/532356348.db2.gz IMMXREGSRSKGKO-CYBMUJFWSA-N 1 0 382.302 2.462 20 0 GEADRO Cc1cccc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1Br ZINC000190499575 532356425 /nfs/dbraw/zinc/35/64/25/532356425.db2.gz RXHJMIXXVPRDRI-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190549511 532356773 /nfs/dbraw/zinc/35/67/73/532356773.db2.gz UPUKMRGIPAHSKG-UHFFFAOYSA-N 1 0 380.247 2.156 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1Br ZINC000190598431 532357032 /nfs/dbraw/zinc/35/70/32/532357032.db2.gz OYMIFHZDAADTMZ-AWEZNQCLSA-N 1 0 380.286 2.311 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000190669238 532357363 /nfs/dbraw/zinc/35/73/63/532357363.db2.gz CYHFXIZTJJTWSM-LLVKDONJSA-N 1 0 378.441 2.229 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000190693493 532357489 /nfs/dbraw/zinc/35/74/89/532357489.db2.gz QTVZWJWUCYOPFZ-UHFFFAOYSA-N 1 0 385.961 2.176 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000190831794 532358101 /nfs/dbraw/zinc/35/81/01/532358101.db2.gz YLAKXMSCRJDNAD-WFASDCNBSA-N 1 0 382.302 2.495 20 0 GEADRO O=C(Nc1ccsc1Cl)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000191083378 532359498 /nfs/dbraw/zinc/35/94/98/532359498.db2.gz UGCMIOAUBLICGS-KBPBESRZSA-N 1 0 385.917 2.224 20 0 GEADRO Cn1cc([C@@H]2CSCCN2CC(=O)N2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000191200849 532359931 /nfs/dbraw/zinc/35/99/31/532359931.db2.gz YGMOMPXSLNCFLI-KBPBESRZSA-N 1 0 376.448 2.311 20 0 GEADRO C[C@@](O)(C[NH2+]Cc1cc(Br)c(Cl)s1)CN1CCOCC1 ZINC000191195053 532359952 /nfs/dbraw/zinc/35/99/52/532359952.db2.gz QELHWUMSYGENDA-CYBMUJFWSA-N 1 0 383.739 2.337 20 0 GEADRO C[C@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC[N@@H+]1CCO ZINC000187670449 532345081 /nfs/dbraw/zinc/34/50/81/532345081.db2.gz SBOSTVCEFWRBMK-AWEZNQCLSA-N 1 0 391.313 2.405 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000187728204 532345337 /nfs/dbraw/zinc/34/53/37/532345337.db2.gz YKNNZKYJUQESIU-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCO1 ZINC000647235216 532372150 /nfs/dbraw/zinc/37/21/50/532372150.db2.gz RLZFOFPGHPCCOA-WBMJQRKESA-N 1 0 388.917 2.256 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647237811 532372551 /nfs/dbraw/zinc/37/25/51/532372551.db2.gz WZYSOXJDZSQSES-SNPRPXQTSA-N 1 0 385.555 2.098 20 0 GEADRO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCc1cccc(Br)c1 ZINC000463428945 532373090 /nfs/dbraw/zinc/37/30/90/532373090.db2.gz MACVSVRBIUFUQB-ZDUSSCGKSA-N 1 0 396.329 2.049 20 0 GEADRO Cn1cc(N2CC[C@@H]([N@H+](C)CCc3cccc(Br)c3)C2=O)cn1 ZINC000463430332 532373116 /nfs/dbraw/zinc/37/31/16/532373116.db2.gz VNLNJNDVGSATPJ-MRXNPFEDSA-N 1 0 377.286 2.462 20 0 GEADRO COc1ccc(CCC(=O)NC[C@@](C)(O)CC[NH+](C)C)c(Br)c1 ZINC000621959799 532373370 /nfs/dbraw/zinc/37/33/70/532373370.db2.gz FKMOFHQEUZJJDW-KRWDZBQOSA-N 1 0 387.318 2.209 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC[C@H]1[NH3+] ZINC000647268630 532373454 /nfs/dbraw/zinc/37/34/54/532373454.db2.gz FENALOQSOCJJNW-ZWNOBZJWSA-N 1 0 389.315 2.132 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC[C@H]1[NH3+] ZINC000647269128 532373543 /nfs/dbraw/zinc/37/35/43/532373543.db2.gz MOMAYZJBYGSDMA-GXFFZTMASA-N 1 0 377.869 2.185 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(OC)ccc2Br)CC[C@H]1[NH3+] ZINC000647268672 532373584 /nfs/dbraw/zinc/37/35/84/532373584.db2.gz FSHPYSVPDSSHBD-ZWNOBZJWSA-N 1 0 377.304 2.206 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1Br ZINC000278203421 532373902 /nfs/dbraw/zinc/37/39/02/532373902.db2.gz VLCKQBOTNFHYSN-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO OCCN1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647530028 532374206 /nfs/dbraw/zinc/37/42/06/532374206.db2.gz FGDGARPLUSCLLG-UONOGXRCSA-N 1 0 377.312 2.170 20 0 GEADRO OC[C@H](CN1CCCCC1)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000647535834 532374504 /nfs/dbraw/zinc/37/45/04/532374504.db2.gz XYWUSJSRYKHDJO-LSDHHAIUSA-N 1 0 377.312 2.170 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000647527348 532375149 /nfs/dbraw/zinc/37/51/49/532375149.db2.gz SFQREMGZZKVOCI-YPMHNXCESA-N 1 0 378.694 2.450 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000191969076 532376490 /nfs/dbraw/zinc/37/64/90/532376490.db2.gz BHDCBXIEXQKVGM-NSHDSACASA-N 1 0 386.265 2.293 20 0 GEADRO O=C(c1cscc1C(F)(F)F)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000622095350 532378694 /nfs/dbraw/zinc/37/86/94/532378694.db2.gz LVZWRQVBVGJORY-LLVKDONJSA-N 1 0 375.416 2.193 20 0 GEADRO CC(C)[C@H](CNC(=O)Cc1cscc1Br)[NH+]1CCN(C)CC1 ZINC000294723032 532376715 /nfs/dbraw/zinc/37/67/15/532376715.db2.gz KEIFWOFGKCCRLY-HNNXBMFYSA-N 1 0 388.375 2.441 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000191958039 532377207 /nfs/dbraw/zinc/37/72/07/532377207.db2.gz GZUJQZKUNXZWRU-NSHDSACASA-N 1 0 386.265 2.245 20 0 GEADRO Cc1cnc(CNC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000557895950 532377256 /nfs/dbraw/zinc/37/72/56/532377256.db2.gz LUJGDNKJLWSIFI-AWEZNQCLSA-N 1 0 380.901 2.140 20 0 GEADRO Cc1c(Br)cccc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000463549368 532377454 /nfs/dbraw/zinc/37/74/54/532377454.db2.gz YXWSAPHBBMVXCS-ZDUSSCGKSA-N 1 0 382.302 2.075 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COc3ccc(Br)cc32)C1 ZINC000677541661 532377657 /nfs/dbraw/zinc/37/76/57/532377657.db2.gz SLYNKKDRGLQCSV-HIFRSBDPSA-N 1 0 383.286 2.152 20 0 GEADRO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372229316 532378093 /nfs/dbraw/zinc/37/80/93/532378093.db2.gz URVBRSDWGYQVHN-KGLIPLIRSA-N 1 0 392.297 2.452 20 0 GEADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cc(C(N)=O)ccc1Br ZINC000647614767 532378265 /nfs/dbraw/zinc/37/82/65/532378265.db2.gz JKKWRWMYAGVLCZ-OAHLLOKOSA-N 1 0 393.281 2.420 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000191454527 532360948 /nfs/dbraw/zinc/36/09/48/532360948.db2.gz LFHPDWZFGMVXDM-GFCCVEGCSA-N 1 0 388.306 2.132 20 0 GEADRO C[C@@H]1COCCN1CCN(CCO)Cc1cc(Br)ccc1F ZINC000191478237 532361146 /nfs/dbraw/zinc/36/11/46/532361146.db2.gz QZLKTHGSAGSZOQ-CYBMUJFWSA-N 1 0 375.282 2.103 20 0 GEADRO O=C(C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)N1CCOCC1 ZINC000191540798 532361232 /nfs/dbraw/zinc/36/12/32/532361232.db2.gz RXDPFKLZABABTI-SFHVURJKSA-N 1 0 397.313 2.365 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000277672526 532361872 /nfs/dbraw/zinc/36/18/72/532361872.db2.gz USVZDTCQRWBXAX-MLGOLLRUSA-N 1 0 387.933 2.098 20 0 GEADRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696447 532362390 /nfs/dbraw/zinc/36/23/90/532362390.db2.gz SGYIEDHQTRZVAV-AWEZNQCLSA-N 1 0 396.329 2.373 20 0 GEADRO Cn1cc(Br)cc(NC(=O)[C@@]2([NH+](C)C)CCc3ccccc32)c1=O ZINC000371919978 532362859 /nfs/dbraw/zinc/36/28/59/532362859.db2.gz ZMRNLANLQPGXLU-GOSISDBHSA-N 1 0 390.281 2.490 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC[C@@H]1[NH3+] ZINC000647007152 532363623 /nfs/dbraw/zinc/36/36/23/532363623.db2.gz ZDKLEXZRKRHQEE-IPYPFGDCSA-N 1 0 394.313 2.388 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC[C@H]1[NH3+] ZINC000647007155 532363719 /nfs/dbraw/zinc/36/37/19/532363719.db2.gz ZDKLEXZRKRHQEE-VNHYZAJKSA-N 1 0 394.313 2.388 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000192024727 532378429 /nfs/dbraw/zinc/37/84/29/532378429.db2.gz XUFOIXVJMAYVNZ-SNVBAGLBSA-N 1 0 388.693 2.451 20 0 GEADRO Cc1c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000621694353 532364347 /nfs/dbraw/zinc/36/43/47/532364347.db2.gz FPWORGWESDPJNB-YVEFUNNKSA-N 1 0 390.285 2.292 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621666734 532365006 /nfs/dbraw/zinc/36/50/06/532365006.db2.gz SEIBYIXIEVLSGK-UHFFFAOYSA-N 1 0 385.258 2.018 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000589929964 532365143 /nfs/dbraw/zinc/36/51/43/532365143.db2.gz PFNVNRCCHKDPAI-DGCLKSJQSA-N 1 0 380.491 2.013 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000590003376 532365955 /nfs/dbraw/zinc/36/59/55/532365955.db2.gz GFGVGHIHWIQXJA-UHFFFAOYSA-N 1 0 388.281 2.212 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CN(Cc1cc(Br)ccc1F)C1CC1 ZINC000515495071 532366308 /nfs/dbraw/zinc/36/63/08/532366308.db2.gz DFRQQIVNPPNCTO-MRXNPFEDSA-N 1 0 389.309 2.492 20 0 GEADRO C[C@H](CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)n1cc(Br)cn1 ZINC000647088304 532366358 /nfs/dbraw/zinc/36/63/58/532366358.db2.gz XBWASSYMNKWQQY-ISTRZQFTSA-N 1 0 399.333 2.342 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCCCC(N)=O ZINC000425098367 532366616 /nfs/dbraw/zinc/36/66/16/532366616.db2.gz KXKWVNQHDHJRIN-UHFFFAOYSA-N 1 0 399.333 2.431 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C[C@H]1C ZINC000677181508 532368049 /nfs/dbraw/zinc/36/80/49/532368049.db2.gz AJMVKCIDRVALCS-KGLIPLIRSA-N 1 0 394.313 2.355 20 0 GEADRO CC[N@@H+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C ZINC000677176512 532368099 /nfs/dbraw/zinc/36/80/99/532368099.db2.gz GBZOPPGGKJVZHA-LBPRGKRZSA-N 1 0 383.286 2.315 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000463220676 532369871 /nfs/dbraw/zinc/36/98/71/532369871.db2.gz DOXAXCWZHFGDGX-HNNXBMFYSA-N 1 0 385.302 2.132 20 0 GEADRO CS(=O)(=O)c1cc(Br)cc(-c2nc([C@H]3CCC[NH2+]3)no2)c1F ZINC000647150867 532370651 /nfs/dbraw/zinc/37/06/51/532370651.db2.gz PJBFGYOULVKZCW-SECBINFHSA-N 1 0 390.234 2.466 20 0 GEADRO C[N@@H+]1CCN(c2ncc(I)cn2)C[C@H]1Cc1ccccc1 ZINC000557741346 532371146 /nfs/dbraw/zinc/37/11/46/532371146.db2.gz DFJRRNIJNQSJHE-OAHLLOKOSA-N 1 0 394.260 2.444 20 0 GEADRO O=S(=O)(NCC[NH2+]C1CCN(CC(F)F)CC1)c1ccc(Cl)cc1F ZINC000463249221 532371511 /nfs/dbraw/zinc/37/15/11/532371511.db2.gz DOLBMCODBANMSX-UHFFFAOYSA-N 1 0 399.866 2.077 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000647234422 532371605 /nfs/dbraw/zinc/37/16/05/532371605.db2.gz QYLAMTFJHDCWRS-MFKMUULPSA-N 1 0 387.914 2.200 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(Br)c[nH]c2=O)C1 ZINC000621896757 532371698 /nfs/dbraw/zinc/37/16/98/532371698.db2.gz FTEKTUORVNXNBG-CYBMUJFWSA-N 1 0 386.290 2.123 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000647254485 532371638 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O=C(c1[nH]c2ccccc2c1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706315 532381367 /nfs/dbraw/zinc/38/13/67/532381367.db2.gz HHOTYOITYOHMLE-NWDGAFQWSA-N 1 0 378.270 2.212 20 0 GEADRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000677694505 532381616 /nfs/dbraw/zinc/38/16/16/532381616.db2.gz ZXCAELBUZYAVGK-KBPBESRZSA-N 1 0 385.917 2.210 20 0 GEADRO C[C@H]([NH3+])[C@H](C)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000192059553 532381955 /nfs/dbraw/zinc/38/19/55/532381955.db2.gz KITHJAYOEDVFOW-QWRGUYRKSA-N 1 0 391.331 2.101 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000516188312 532382103 /nfs/dbraw/zinc/38/21/03/532382103.db2.gz BBTGNNZCMUVJLG-HUUCEWRRSA-N 1 0 387.571 2.061 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000622900971 532382157 /nfs/dbraw/zinc/38/21/57/532382157.db2.gz RSQYZWKEOJGVFQ-GFCCVEGCSA-N 1 0 393.289 2.027 20 0 GEADRO O=C1[C@@H]([NH+]2CCC(n3cncn3)CC2)CCN1c1cccc(Br)c1 ZINC000192072306 532382403 /nfs/dbraw/zinc/38/24/03/532382403.db2.gz WUNUNALDTMDZOD-INIZCTEOSA-N 1 0 390.285 2.483 20 0 GEADRO C[N@H+](CC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)[C@H]1CCSC1 ZINC000558035889 532382696 /nfs/dbraw/zinc/38/26/96/532382696.db2.gz MWYNEMNSEMREEY-FZMZJTMJSA-N 1 0 391.306 2.175 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1OCC ZINC000294777420 532382913 /nfs/dbraw/zinc/38/29/13/532382913.db2.gz KUJBLSDMQXCSFL-QGZVFWFLSA-N 1 0 391.917 2.167 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000463804650 532384016 /nfs/dbraw/zinc/38/40/16/532384016.db2.gz BNOUPNDTXWKQHJ-JTQLQIEISA-N 1 0 398.248 2.334 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)CCCO ZINC000294798910 532384351 /nfs/dbraw/zinc/38/43/51/532384351.db2.gz MQMFJNIROVYRLL-STQMWFEESA-N 1 0 387.318 2.461 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000677849108 532384410 /nfs/dbraw/zinc/38/44/10/532384410.db2.gz VHSZGOJJEBBROW-GUYCJALGSA-N 1 0 389.924 2.126 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cccnc1OCC(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000647895970 532384957 /nfs/dbraw/zinc/38/49/57/532384957.db2.gz QIRIUFSXSBJXGE-QWHCGFSZSA-N 1 0 377.457 2.124 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1sccc1Br ZINC000558122168 532385527 /nfs/dbraw/zinc/38/55/27/532385527.db2.gz OEGPNNYDXAEFCO-LLVKDONJSA-N 1 0 396.376 2.261 20 0 GEADRO O=C(c1cc2c(cncc2Br)s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000648138420 532386754 /nfs/dbraw/zinc/38/67/54/532386754.db2.gz XWPDOPMPRJQZDX-LLVKDONJSA-N 1 0 395.326 2.179 20 0 GEADRO COC(=O)Cn1cc(CCN2CC[C@@H]2c2cccc(Br)c2)nn1 ZINC000372352849 532387033 /nfs/dbraw/zinc/38/70/33/532387033.db2.gz ZZFCHSNRLORGDN-OAHLLOKOSA-N 1 0 379.258 2.203 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372364338 532387220 /nfs/dbraw/zinc/38/72/20/532387220.db2.gz FUDUOFYNDLRTSX-JKSUJKDBSA-N 1 0 385.277 2.188 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cncc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372361797 532387230 /nfs/dbraw/zinc/38/72/30/532387230.db2.gz SGNLHTLCTYKLSL-XJKSGUPXSA-N 1 0 396.333 2.334 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372364332 532387252 /nfs/dbraw/zinc/38/72/52/532387252.db2.gz FUDUOFYNDLRTSX-CVEARBPZSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cnc2c(Br)cccn12 ZINC000425673191 532388162 /nfs/dbraw/zinc/38/81/62/532388162.db2.gz MNRGZDHOQSWJFE-LBPRGKRZSA-N 1 0 396.289 2.065 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(C)c(Br)cn2)CC1 ZINC000623354216 532388188 /nfs/dbraw/zinc/38/81/88/532388188.db2.gz JATSISODELQGKY-UHFFFAOYSA-N 1 0 376.320 2.056 20 0 GEADRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc(O)ccc3Br)CC(=O)N2C)cn1 ZINC000372388874 532388348 /nfs/dbraw/zinc/38/83/48/532388348.db2.gz FWYFXPPCNPJBSO-YVEFUNNKSA-N 1 0 393.285 2.197 20 0 GEADRO CNC(=O)CC[N@H+](C)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000464103726 532389135 /nfs/dbraw/zinc/38/91/35/532389135.db2.gz YESPFMLBXYXIRK-OAHLLOKOSA-N 1 0 382.302 2.321 20 0 GEADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCO1 ZINC000279132423 532389417 /nfs/dbraw/zinc/38/94/17/532389417.db2.gz WFPAHZRNLLMUAO-HZPDHXFCSA-N 1 0 385.302 2.191 20 0 GEADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192150802 532389474 /nfs/dbraw/zinc/38/94/74/532389474.db2.gz AZLRRHQABANXPA-DOMZBBRYSA-N 1 0 377.794 2.222 20 0 GEADRO C[NH+](C)C[C@H](CNC(=O)CC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000558408860 532390679 /nfs/dbraw/zinc/39/06/79/532390679.db2.gz IKOBCYATIKFTPX-LBPRGKRZSA-N 1 0 379.810 2.170 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)CC1 ZINC000279188918 532391176 /nfs/dbraw/zinc/39/11/76/532391176.db2.gz LDTRUFIPDQGZTD-UHFFFAOYSA-N 1 0 393.962 2.352 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000372432820 532391604 /nfs/dbraw/zinc/39/16/04/532391604.db2.gz XWAMAYKHKOTKIH-KDOFPFPSSA-N 1 0 382.291 2.277 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000425734073 532391826 /nfs/dbraw/zinc/39/18/26/532391826.db2.gz BJYMJBMGSKXPGV-NSHDSACASA-N 1 0 375.803 2.433 20 0 GEADRO Cc1c(Cl)c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)sc1S(N)(=O)=O ZINC000279262083 532392425 /nfs/dbraw/zinc/39/24/25/532392425.db2.gz VCOPMTAAMNZZKB-SNVBAGLBSA-N 1 0 393.962 2.209 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000590916210 532392617 /nfs/dbraw/zinc/39/26/17/532392617.db2.gz FTYYGDGBDGBXOI-UHFFFAOYSA-N 1 0 384.929 2.447 20 0 GEADRO O=C(c1cc2sccc2s1)N1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000372497788 532392999 /nfs/dbraw/zinc/39/29/99/532392999.db2.gz UYSXHISAHNVBSC-XIKOKIGWSA-N 1 0 375.519 2.247 20 0 GEADRO Cc1nc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c(C)s1 ZINC000678590954 532398250 /nfs/dbraw/zinc/39/82/50/532398250.db2.gz CNFNMRDCLWPVTH-LBPRGKRZSA-N 1 0 387.571 2.384 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cccc(F)c2Br)C1=O ZINC000648466316 532398340 /nfs/dbraw/zinc/39/83/40/532398340.db2.gz LWCXQRZTZZRZSY-BZNIZROVSA-N 1 0 384.249 2.398 20 0 GEADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000591081441 532398674 /nfs/dbraw/zinc/39/86/74/532398674.db2.gz KLAOZAMKOUSTCX-HOTGVXAUSA-N 1 0 397.313 2.251 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000516961258 532399631 /nfs/dbraw/zinc/39/96/31/532399631.db2.gz BEMOMGVFAJXVTN-UHFFFAOYSA-N 1 0 380.436 2.112 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCOC1 ZINC000464585197 532400286 /nfs/dbraw/zinc/40/02/86/532400286.db2.gz CHPZKOWDAVWLLR-ZBEGNZNMSA-N 1 0 378.252 2.045 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000516992569 532400378 /nfs/dbraw/zinc/40/03/78/532400378.db2.gz GUUXOGNWYXGRJG-ZFWWWQNUSA-N 1 0 388.917 2.222 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCOC1 ZINC000464594073 532400981 /nfs/dbraw/zinc/40/09/81/532400981.db2.gz FEWWJEQAFISYPR-KRWDZBQOSA-N 1 0 389.279 2.264 20 0 GEADRO COC(=O)C[C@]1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCOC1 ZINC000464585194 532401082 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CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000464775783 532404225 /nfs/dbraw/zinc/40/42/25/532404225.db2.gz OQZXJTFIUZMIQO-ZDUSSCGKSA-N 1 0 387.933 2.098 20 0 GEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000372728546 532404734 /nfs/dbraw/zinc/40/47/34/532404734.db2.gz RDAGPMOULDQPPQ-CQSZACIVSA-N 1 0 398.320 2.415 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)c1F ZINC000192528378 532404757 /nfs/dbraw/zinc/40/47/57/532404757.db2.gz KMWOGIQHDWXRGE-UHFFFAOYSA-N 1 0 386.265 2.437 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(Br)cc1F ZINC000591287265 532404928 /nfs/dbraw/zinc/40/49/28/532404928.db2.gz JYCILLNRSYYHRM-PELKAZGASA-N 1 0 388.237 2.494 20 0 GEADRO COC(=O)c1cc(NC(=O)NCC[C@H]2CC[NH2+]C2)c(Br)cc1F ZINC000591287353 532405009 /nfs/dbraw/zinc/40/50/09/532405009.db2.gz QFQKZVDNTALAQY-SECBINFHSA-N 1 0 388.237 2.496 20 0 GEADRO C[C@H](CNc1ncc(Br)cc1S(N)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000679467246 532405024 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C[C@H](CCc1ccc(I)cc1)NC(=O)NC/C=C/C[NH3+] ZINC000591357462 532410365 /nfs/dbraw/zinc/41/03/65/532410365.db2.gz UCLPFMJMYFEQTI-QAVQXKDTSA-N 1 0 387.265 2.426 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)NC(=O)NC[C@H](C)[NH3+] ZINC000591357467 532410423 /nfs/dbraw/zinc/41/04/23/532410423.db2.gz ZFXORSHAVQGZSK-WDEREUQCSA-N 1 0 375.254 2.259 20 0 GEADRO CO[C@H]1C[NH2+][C@@H](C(=O)NCCOc2ccc3cc(Br)ccc3c2)C1 ZINC000517216171 532408671 /nfs/dbraw/zinc/40/86/71/532408671.db2.gz YFPGRMPMYDJZSF-IAGOWNOFSA-N 1 0 393.281 2.474 20 0 GEADRO CCS[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000192761439 532408895 /nfs/dbraw/zinc/40/88/95/532408895.db2.gz QEVXHKAKZBYIAJ-HZPDHXFCSA-N 1 0 388.603 2.404 20 0 GEADRO CN(CC(F)(F)F)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000192766018 532409100 /nfs/dbraw/zinc/40/91/00/532409100.db2.gz RCGNABZGQAFPDM-UHFFFAOYSA-N 1 0 375.416 2.195 20 0 GEADRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(Cl)c1Cl ZINC000648939689 532411736 /nfs/dbraw/zinc/41/17/36/532411736.db2.gz 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2.328 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000680580434 532417325 /nfs/dbraw/zinc/41/73/25/532417325.db2.gz ZTMAKMSPIAINQJ-SECBINFHSA-N 1 0 377.080 2.431 20 0 GEADRO CC1(C)CN([C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1CCO ZINC000625357905 532420741 /nfs/dbraw/zinc/42/07/41/532420741.db2.gz HWDWZUFETDBPQX-INIZCTEOSA-N 1 0 396.329 2.091 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000517582771 532420754 /nfs/dbraw/zinc/42/07/54/532420754.db2.gz GHKDUMKZFAPDCO-GFCCVEGCSA-N 1 0 385.917 2.377 20 0 GEADRO COCCO[C@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625358230 532420909 /nfs/dbraw/zinc/42/09/09/532420909.db2.gz LJJBRCMUYVXCQP-HOCLYGCPSA-N 1 0 383.286 2.440 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000591687921 532419233 /nfs/dbraw/zinc/41/92/33/532419233.db2.gz FWNBWPGOHATVAC-ZNMIVQPWSA-N 1 0 395.297 2.162 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]C2(c3ccccc3Br)CCC2)CC1 ZINC000649646394 532419393 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Cc1cc(NC(=O)CN(C)C[C@H](O)c2ccccc2Br)n(C)n1 ZINC000295231326 532422692 /nfs/dbraw/zinc/42/26/92/532422692.db2.gz COEVWHJGFDKUBJ-AWEZNQCLSA-N 1 0 381.274 2.095 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000591769784 532423307 /nfs/dbraw/zinc/42/33/07/532423307.db2.gz QHMYFNCMEPNPLJ-CYBMUJFWSA-N 1 0 393.289 2.128 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCSCC2)[C@@H]1c1cccs1 ZINC000465914284 532421271 /nfs/dbraw/zinc/42/12/71/532421271.db2.gz ALRFTYIHJRQZDN-NVXWUHKLSA-N 1 0 382.599 2.479 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCSCC2)[C@@H]1c1cccs1 ZINC000465914278 532421766 /nfs/dbraw/zinc/42/17/66/532421766.db2.gz ALRFTYIHJRQZDN-DOTOQJQBSA-N 1 0 382.599 2.479 20 0 GEADRO COC[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000281244653 532422113 /nfs/dbraw/zinc/42/21/13/532422113.db2.gz WRCOPMVPEPGGBJ-TVQRCGJNSA-N 1 0 377.304 2.172 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000681193194 532423842 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COc1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000295253041 532426059 /nfs/dbraw/zinc/42/60/59/532426059.db2.gz WYQIFEZQRKIOGL-LLVKDONJSA-N 1 0 378.416 2.477 20 0 GEADRO CC(=O)NCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000193644863 532427917 /nfs/dbraw/zinc/42/79/17/532427917.db2.gz PPFDBEOCHNYNFE-UHFFFAOYSA-N 1 0 399.333 2.049 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427588299 532428026 /nfs/dbraw/zinc/42/80/26/532428026.db2.gz NQKMSTFXIMIBOF-WQVCFCJDSA-N 1 0 396.329 2.318 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000517869486 532428639 /nfs/dbraw/zinc/42/86/39/532428639.db2.gz IJGWPZGJDPKMFU-UHFFFAOYSA-N 1 0 378.922 2.328 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281598697 532427093 /nfs/dbraw/zinc/42/70/93/532427093.db2.gz AQDZNGSECPQPQN-UHFFFAOYSA-N 1 0 392.258 2.034 20 0 GEADRO C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccnn3CC[NH+](C)C)cc(Cl)c2O1 ZINC000295266837 532427240 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O=C(c1ccnc(Cl)c1I)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373065640 532430392 /nfs/dbraw/zinc/43/03/92/532430392.db2.gz JDPLZCDRWVNMOM-WCBMZHEXSA-N 1 0 391.640 2.164 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193704029 532431523 /nfs/dbraw/zinc/43/15/23/532431523.db2.gz IVBOGVCMWGSJAV-UHFFFAOYSA-N 1 0 380.286 2.378 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCCN(Cc2c(F)ccc(Br)c2F)C1 ZINC000626167214 532435678 /nfs/dbraw/zinc/43/56/78/532435678.db2.gz QIRCIDUCDYHTOP-SNVBAGLBSA-N 1 0 397.285 2.489 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000626168506 532435843 /nfs/dbraw/zinc/43/58/43/532435843.db2.gz TXAWWAJUKWDZQO-ZIAGYGMSSA-N 1 0 387.933 2.237 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2sccc2Cl)CC1 ZINC000518087620 532436245 /nfs/dbraw/zinc/43/62/45/532436245.db2.gz OLEKBJTYGJBDKF-UHFFFAOYSA-N 1 0 386.930 2.027 20 0 GEADRO CN(c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000561381557 532436288 /nfs/dbraw/zinc/43/62/88/532436288.db2.gz NNIGNVIOZGRQGV-QYJAPNMZSA-N 1 0 377.432 2.414 20 0 GEADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCCCS(C)(=O)=O ZINC000681702526 532436423 /nfs/dbraw/zinc/43/64/23/532436423.db2.gz CAHJCWQCHWNVKU-OAHLLOKOSA-N 1 0 388.555 2.044 20 0 GEADRO CC[NH+](CC)CCOC1CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000466733072 532432356 /nfs/dbraw/zinc/43/23/56/532432356.db2.gz ORQSVWGIOXNKMI-UHFFFAOYSA-N 1 0 389.587 2.011 20 0 GEADRO CC[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1cc(F)cc(Br)c1 ZINC000561203424 532432546 /nfs/dbraw/zinc/43/25/46/532432546.db2.gz YJMAKEWAGWXRSP-GJZGRUSLSA-N 1 0 387.297 2.324 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626136635 532434206 /nfs/dbraw/zinc/43/42/06/532434206.db2.gz COBHOOPOSAMTHF-FDQGKXFDSA-N 1 0 397.313 2.132 20 0 GEADRO Cc1cc[nH+]c(NCCCNS(=O)(=O)c2ccccc2Br)c1 ZINC000561356540 532434806 /nfs/dbraw/zinc/43/48/06/532434806.db2.gz QVTKOFRVFXLBEP-UHFFFAOYSA-N 1 0 384.299 2.933 20 0 GEADRO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000561346852 532435200 /nfs/dbraw/zinc/43/52/00/532435200.db2.gz BGCWIAXLPLQJPU-XJKSGUPXSA-N 1 0 375.485 2.146 20 0 GEADRO CC1(C)CN(CCOc2cc(F)cc(Br)c2)CC[N@@H+]1CCO ZINC000682087125 532441044 /nfs/dbraw/zinc/44/10/44/532441044.db2.gz KNDJHRAZOMJJGB-UHFFFAOYSA-N 1 0 375.282 2.356 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000193989422 532441071 /nfs/dbraw/zinc/44/10/71/532441071.db2.gz PXUHQBPFQQCDAU-UHFFFAOYSA-N 1 0 399.866 2.275 20 0 GEADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cnc(NC(C)=O)s1)CC(C)C ZINC000561470354 532441117 /nfs/dbraw/zinc/44/11/17/532441117.db2.gz MHYBTNUXJWBPEC-CYBMUJFWSA-N 1 0 376.548 2.136 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccccc1Br ZINC000561471785 532441154 /nfs/dbraw/zinc/44/11/54/532441154.db2.gz MADGHQUJKKQQIQ-AWEZNQCLSA-N 1 0 393.347 2.225 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000427935705 532437651 /nfs/dbraw/zinc/43/76/51/532437651.db2.gz YJVPFILNVDHPQP-UHFFFAOYSA-N 1 0 386.901 2.281 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000427954655 532438045 /nfs/dbraw/zinc/43/80/45/532438045.db2.gz ZWJWDKSPIQKFLK-IUIKQTSFSA-N 1 0 386.901 2.265 20 0 GEADRO Cc1cc(Br)cc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000626518007 532438864 /nfs/dbraw/zinc/43/88/64/532438864.db2.gz OQPWEDZDMMLVFR-AWEZNQCLSA-N 1 0 383.290 2.219 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000650177585 532440032 /nfs/dbraw/zinc/44/00/32/532440032.db2.gz FMMZCKPKRSHGQT-UHFFFAOYSA-N 1 0 388.306 2.208 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000650179740 532440207 /nfs/dbraw/zinc/44/02/07/532440207.db2.gz QMDXRKFEFRBUIN-UHFFFAOYSA-N 1 0 395.305 2.133 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000193990374 532440318 /nfs/dbraw/zinc/44/03/18/532440318.db2.gz GOENZKYOQBHXAF-UHFFFAOYSA-N 1 0 399.866 2.275 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Br)C1CC[NH+](C)CC1 ZINC000682195465 532442573 /nfs/dbraw/zinc/44/25/73/532442573.db2.gz JLPPEQBNXLBCPF-JTQLQIEISA-N 1 0 386.265 2.373 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cccc(Br)c1F)CCO2 ZINC000295384737 532442525 /nfs/dbraw/zinc/44/25/25/532442525.db2.gz KSRASKVHOJUWBR-SWLSCSKDSA-N 1 0 392.290 2.414 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000626847421 532443088 /nfs/dbraw/zinc/44/30/88/532443088.db2.gz QTNXMLQDWDFZPS-LBPRGKRZSA-N 1 0 386.265 2.292 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)c(F)cc1F ZINC000295402415 532443301 /nfs/dbraw/zinc/44/33/01/532443301.db2.gz ISUDRBMFTFTGQS-SNVBAGLBSA-N 1 0 377.229 2.304 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000626847513 532443516 /nfs/dbraw/zinc/44/35/16/532443516.db2.gz VKOLXIFBJYMFFJ-ZDUSSCGKSA-N 1 0 388.693 2.497 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000467280568 532443574 /nfs/dbraw/zinc/44/35/74/532443574.db2.gz HRJDERJAXAYBRR-AWEZNQCLSA-N 1 0 395.345 2.018 20 0 GEADRO C[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000650405430 532443771 /nfs/dbraw/zinc/44/37/71/532443771.db2.gz XASFOAQRVPYFNG-CYBMUJFWSA-N 1 0 394.313 2.122 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000626845578 532443843 /nfs/dbraw/zinc/44/38/43/532443843.db2.gz BSMPDHPBWQVQND-GFCCVEGCSA-N 1 0 390.228 2.122 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000626847693 532444029 /nfs/dbraw/zinc/44/40/29/532444029.db2.gz XOQFOUKXXNJMPZ-ZDUSSCGKSA-N 1 0 398.301 2.161 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000626847435 532444067 /nfs/dbraw/zinc/44/40/67/532444067.db2.gz QYVUQYSEHNQJRM-LBPRGKRZSA-N 1 0 390.228 2.122 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000626846912 532444284 /nfs/dbraw/zinc/44/42/84/532444284.db2.gz PFNUOQJLMVSFPH-AWEZNQCLSA-N 1 0 398.301 2.243 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626921014 532445692 /nfs/dbraw/zinc/44/56/92/532445692.db2.gz GQAFFQCUAHYHKD-CQSZACIVSA-N 1 0 395.301 2.280 20 0 GEADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)s1)[NH+](C)C ZINC000682396638 532445035 /nfs/dbraw/zinc/44/50/35/532445035.db2.gz SKCJJSBIVJLFJM-WBMJQRKESA-N 1 0 381.523 2.125 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000626837264 532441702 /nfs/dbraw/zinc/44/17/02/532441702.db2.gz PMEBLTSVPYINNU-ZWNOBZJWSA-N 1 0 398.326 2.320 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000626836208 532441712 /nfs/dbraw/zinc/44/17/12/532441712.db2.gz SLXSGZNNIQCWIL-JOYOIKCWSA-N 1 0 386.315 2.224 20 0 GEADRO C[NH+]1CCN(C[C@@H]2CCCN(S(=O)(=O)c3c(F)cccc3Cl)C2)CC1 ZINC000373324028 532441851 /nfs/dbraw/zinc/44/18/51/532441851.db2.gz IBKJSBQKTGFGAA-AWEZNQCLSA-N 1 0 389.924 2.127 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000626837263 532441874 /nfs/dbraw/zinc/44/18/74/532441874.db2.gz PMEBLTSVPYINNU-MFKMUULPSA-N 1 0 398.326 2.320 20 0 GEADRO [NH3+]CC1(NC(=O)NCc2ccc(Br)cc2Cl)CCOCC1 ZINC000626952411 532447112 /nfs/dbraw/zinc/44/71/12/532447112.db2.gz DSLHKDQOVWUPEP-UHFFFAOYSA-N 1 0 376.682 2.410 20 0 GEADRO [NH3+]CCCOCCNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000626961737 532447537 /nfs/dbraw/zinc/44/75/37/532447537.db2.gz ITAGVIQSIXWCKP-UHFFFAOYSA-N 1 0 396.232 2.215 20 0 GEADRO CCSCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000282217878 532447741 /nfs/dbraw/zinc/44/77/41/532447741.db2.gz UHWBSDUNDCUCFF-UHFFFAOYSA-N 1 0 381.567 2.433 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000428217856 532447753 /nfs/dbraw/zinc/44/77/53/532447753.db2.gz LACIJBWNDPWSRF-NWDGAFQWSA-N 1 0 396.251 2.473 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000561712117 532447921 /nfs/dbraw/zinc/44/79/21/532447921.db2.gz FPAHBIRINJVFQQ-GOSISDBHSA-N 1 0 385.961 2.272 20 0 GEADRO CCSc1ccc(CC(=O)N[C@@H](CO)C[NH+](C)C)c(Br)c1 ZINC000627275197 532448940 /nfs/dbraw/zinc/44/89/40/532448940.db2.gz FPLBTEMZZAGPFV-GFCCVEGCSA-N 1 0 375.332 2.142 20 0 GEADRO COc1ccc([C@H](C)NC(=O)NC2(C[NH3+])CCOCC2)cc1Br ZINC000626924623 532445868 /nfs/dbraw/zinc/44/58/68/532445868.db2.gz BEXJPNFBMNJGKD-NSHDSACASA-N 1 0 386.290 2.326 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1Br ZINC000194268933 532445838 /nfs/dbraw/zinc/44/58/38/532445838.db2.gz CJUPNIPHNGLMFB-JSGCOSHPSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1Br ZINC000194268951 532445894 /nfs/dbraw/zinc/44/58/94/532445894.db2.gz CJUPNIPHNGLMFB-OCCSQVGLSA-N 1 0 395.301 2.034 20 0 GEADRO CCC[N@H+](C)CC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000518985536 532452186 /nfs/dbraw/zinc/45/21/86/532452186.db2.gz KEBQMADFQWCCJR-UHFFFAOYSA-N 1 0 384.318 2.256 20 0 GEADRO Cn1cnc(CCC[NH2+]Cc2c(F)ccc(I)c2F)n1 ZINC000592373192 532452374 /nfs/dbraw/zinc/45/23/74/532452374.db2.gz CYJQVKMUXSYRJD-UHFFFAOYSA-N 1 0 392.191 2.420 20 0 GEADRO CCSc1ccc(CC(=O)N[C@H](CO)C[NH+](C)C)c(Br)c1 ZINC000627275198 532449277 /nfs/dbraw/zinc/44/92/77/532449277.db2.gz FPLBTEMZZAGPFV-LBPRGKRZSA-N 1 0 375.332 2.142 20 0 GEADRO O=C(c1c(F)ccc(Br)c1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627265060 532449578 /nfs/dbraw/zinc/44/95/78/532449578.db2.gz CZKIPBONCCHEQE-ZJUUUORDSA-N 1 0 375.213 2.008 20 0 GEADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270966 532449793 /nfs/dbraw/zinc/44/97/93/532449793.db2.gz ORVYUAFKUSRLJL-BFYDXBDKSA-N 1 0 379.298 2.146 20 0 GEADRO O=C(c1cc2c(cncc2Br)s1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270154 532449817 /nfs/dbraw/zinc/44/98/17/532449817.db2.gz DBQTZBDFXMKOJB-GHMZBOCLSA-N 1 0 396.310 2.340 20 0 GEADRO O=C(c1cc2c(cncc2Br)s1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627270155 532449850 /nfs/dbraw/zinc/44/98/50/532449850.db2.gz DBQTZBDFXMKOJB-MNOVXSKESA-N 1 0 396.310 2.340 20 0 GEADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269932 532449897 /nfs/dbraw/zinc/44/98/97/532449897.db2.gz ZXFBFXSWCPHNHO-WCXIOVBPSA-N 1 0 379.298 2.220 20 0 GEADRO CC[C@H]1CN(C(=O)COc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000592332048 532450222 /nfs/dbraw/zinc/45/02/22/532450222.db2.gz SWRRNRJAQOBOPY-FZMZJTMJSA-N 1 0 388.249 2.256 20 0 GEADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000373458794 532450749 /nfs/dbraw/zinc/45/07/49/532450749.db2.gz BJWYKNLEGRYXCG-LBPRGKRZSA-N 1 0 381.864 2.326 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000561758216 532450790 /nfs/dbraw/zinc/45/07/90/532450790.db2.gz WCZHLNDDCZNKSS-CQSZACIVSA-N 1 0 383.411 2.205 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000373470456 532451821 /nfs/dbraw/zinc/45/18/21/532451821.db2.gz RPYHNVOESSCEGR-UHFFFAOYSA-N 1 0 395.301 2.200 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000561955547 532454289 /nfs/dbraw/zinc/45/42/89/532454289.db2.gz YMPHEUSHRJSHQU-UHFFFAOYSA-N 1 0 387.274 2.266 20 0 GEADRO CN(C)C(=O)N1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000428534099 532454563 /nfs/dbraw/zinc/45/45/63/532454563.db2.gz DYRSPWPUCBEQIV-HNNXBMFYSA-N 1 0 398.345 2.336 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000467766424 532454837 /nfs/dbraw/zinc/45/48/37/532454837.db2.gz BGQGAZCIVRELRA-NSHDSACASA-N 1 0 376.906 2.381 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000194769270 532455654 /nfs/dbraw/zinc/45/56/54/532455654.db2.gz TVCQTSWKRHILIG-GFCCVEGCSA-N 1 0 394.324 2.002 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000519113359 532456065 /nfs/dbraw/zinc/45/60/65/532456065.db2.gz BHJLJBVYTHCCDK-UHFFFAOYSA-N 1 0 382.180 2.214 20 0 GEADRO O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428625646 532456318 /nfs/dbraw/zinc/45/63/18/532456318.db2.gz OBUJYDPDRURVHX-AWEZNQCLSA-N 1 0 384.307 2.206 20 0 GEADRO 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CC(C)(C)[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000194867679 532461897 /nfs/dbraw/zinc/46/18/97/532461897.db2.gz LGMXHWCUDIIFSB-UHFFFAOYSA-N 1 0 393.962 2.059 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@@H](C)n2cc(Br)cn2)C[C@@H]1[NH+](C)C ZINC000592779733 532463822 /nfs/dbraw/zinc/46/38/22/532463822.db2.gz HRSBPRVYCOHWBL-KGYLQXTDSA-N 1 0 375.336 2.101 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]2C1 ZINC000194919829 532463843 /nfs/dbraw/zinc/46/38/43/532463843.db2.gz LFNVORKAZBMYBF-AOOOYVTPSA-N 1 0 375.778 2.317 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ncnc3cc(Br)sc32)C1 ZINC000651304796 532464168 /nfs/dbraw/zinc/46/41/68/532464168.db2.gz MOUDSKGSOMFUKF-JTQLQIEISA-N 1 0 398.330 2.453 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc(-c3ccc(Cl)s3)nn2)C1 ZINC000651304864 532464210 /nfs/dbraw/zinc/46/42/10/532464210.db2.gz QAJSJFSPQSMGTR-LBPRGKRZSA-N 1 0 379.917 2.858 20 0 GEADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)C1(Cc2ccccc2Br)CC1 ZINC000519422419 532464531 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CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000295641926 532466614 /nfs/dbraw/zinc/46/66/14/532466614.db2.gz QSZSFEXVZUBDGE-GFCCVEGCSA-N 1 0 380.290 2.488 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000373741518 532466899 /nfs/dbraw/zinc/46/68/99/532466899.db2.gz BGJNBSMBNFIJTD-UHFFFAOYSA-N 1 0 376.320 2.057 20 0 GEADRO C[C@@H](NC(=O)c1[nH]nc2ccc(I)cc21)[C@H]1CCC[NH2+]C1 ZINC000428959471 532467133 /nfs/dbraw/zinc/46/71/33/532467133.db2.gz YACSCMNUERLJJZ-ZJUUUORDSA-N 1 0 398.248 2.285 20 0 GEADRO O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000683620355 532463004 /nfs/dbraw/zinc/46/30/04/532463004.db2.gz RKOLVPQPNDYNPV-TZMCWYRMSA-N 1 0 378.270 2.182 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cnc2c(Br)cccn12 ZINC000519542081 532468001 /nfs/dbraw/zinc/46/80/01/532468001.db2.gz XBLWONLQTHYJFV-LBPRGKRZSA-N 1 0 396.289 2.065 20 0 GEADRO COC(=O)CN1CCC([NH2+]C[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000468553053 532469124 /nfs/dbraw/zinc/46/91/24/532469124.db2.gz JESRXXBQEIUYHT-ZDUSSCGKSA-N 1 0 385.302 2.443 20 0 GEADRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000519572385 532470164 /nfs/dbraw/zinc/47/01/64/532470164.db2.gz PURZGDBUXVGXFJ-NEPJUHHUSA-N 1 0 378.274 2.164 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)[C@H](C)CCO ZINC000593108264 532470613 /nfs/dbraw/zinc/47/06/13/532470613.db2.gz VRQWMPQSFJXCSJ-LLVKDONJSA-N 1 0 376.238 2.241 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1ccc(Br)cc1 ZINC000684201579 532470650 /nfs/dbraw/zinc/47/06/50/532470650.db2.gz XCBCTEXYOOWNJT-CABCVRRESA-N 1 0 379.302 2.128 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000684176674 532471003 /nfs/dbraw/zinc/47/10/03/532471003.db2.gz WRVOCKWBYPGMJM-HNNXBMFYSA-N 1 0 391.331 2.356 20 0 GEADRO CC(C)Oc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)ccc1Br ZINC000651418005 532471014 /nfs/dbraw/zinc/47/10/14/532471014.db2.gz ODXCEMVQWQJOMN-UHFFFAOYSA-N 1 0 385.302 2.423 20 0 GEADRO C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@H]1CNc2ccnn2C1 ZINC000684196900 532471121 /nfs/dbraw/zinc/47/11/21/532471121.db2.gz UMNFFLZFIFTZNI-GFCCVEGCSA-N 1 0 378.274 2.258 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C2 ZINC000684173142 532471203 /nfs/dbraw/zinc/47/12/03/532471203.db2.gz WABFKMOWTINOKO-HNNXBMFYSA-N 1 0 379.913 2.019 20 0 GEADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H]3CNc4ccnn4C3)nc12 ZINC000684198241 532471492 /nfs/dbraw/zinc/47/14/92/532471492.db2.gz AHWJKLYLIVSBHY-LBPRGKRZSA-N 1 0 375.274 2.433 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000429221959 532471655 /nfs/dbraw/zinc/47/16/55/532471655.db2.gz TXYLZBWJMYWMTM-QWHCGFSZSA-N 1 0 382.302 2.073 20 0 GEADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)CS1 ZINC000373800488 532471706 /nfs/dbraw/zinc/47/17/06/532471706.db2.gz NVDKLRWKPRRXIC-RDJZCZTQSA-N 1 0 390.615 2.469 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000195127507 532471767 /nfs/dbraw/zinc/47/17/67/532471767.db2.gz CXRRPRHQMNABJE-GFCCVEGCSA-N 1 0 396.866 2.483 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000429221961 532471980 /nfs/dbraw/zinc/47/19/80/532471980.db2.gz TXYLZBWJMYWMTM-STQMWFEESA-N 1 0 382.302 2.073 20 0 GEADRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000282495305 532472169 /nfs/dbraw/zinc/47/21/69/532472169.db2.gz XUOXNSXVLTVXJW-ZEDNOMKYSA-N 1 0 385.338 2.203 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000519648469 532472501 /nfs/dbraw/zinc/47/25/01/532472501.db2.gz ULWWCEYAQJFZTN-DLBZAZTESA-N 1 0 396.329 2.081 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000519648472 532473108 /nfs/dbraw/zinc/47/31/08/532473108.db2.gz ULWWCEYAQJFZTN-IRXDYDNUSA-N 1 0 396.329 2.081 20 0 GEADRO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@H](CSC)C1 ZINC000429310623 532473203 /nfs/dbraw/zinc/47/32/03/532473203.db2.gz UOOBAWHFMOVMPS-HNNXBMFYSA-N 1 0 383.583 2.288 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1nscc1Br ZINC000651536301 532473339 /nfs/dbraw/zinc/47/33/39/532473339.db2.gz RDQMJJXEJHFCQZ-OLZOCXBDSA-N 1 0 388.331 2.403 20 0 GEADRO Cc1c(Br)cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(=O)n1C ZINC000468487896 532467330 /nfs/dbraw/zinc/46/73/30/532467330.db2.gz NSVVMAWHNKRQED-CQSZACIVSA-N 1 0 384.318 2.306 20 0 GEADRO CC[C@H](Cc1ccccc1Br)[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC000295667747 532467598 /nfs/dbraw/zinc/46/75/98/532467598.db2.gz JWFFBMOSYIHBIS-CYBMUJFWSA-N 1 0 381.274 2.325 20 0 GEADRO COCC1(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCC1 ZINC000651557975 532476856 /nfs/dbraw/zinc/47/68/56/532476856.db2.gz ZMNGQXYOLZGFGC-UHFFFAOYSA-N 1 0 390.615 2.474 20 0 GEADRO C[C@H](NC(=O)[C@@H]([NH3+])CCC(N)=O)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000373884613 532477005 /nfs/dbraw/zinc/47/70/05/532477005.db2.gz YTBRTDJJNNKXKU-UFBFGSQYSA-N 1 0 384.864 2.373 20 0 GEADRO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC000373893518 532477639 /nfs/dbraw/zinc/47/76/39/532477639.db2.gz PRDCANNUPBNOMM-MRXNPFEDSA-N 1 0 388.265 2.443 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373916459 532478015 /nfs/dbraw/zinc/47/80/15/532478015.db2.gz DXWKFMGPOCCCQZ-AWEZNQCLSA-N 1 0 395.301 2.260 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651578049 532478572 /nfs/dbraw/zinc/47/85/72/532478572.db2.gz BNAFABZUOMGFJS-CYBMUJFWSA-N 1 0 377.913 2.031 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000195480353 532478757 /nfs/dbraw/zinc/47/87/57/532478757.db2.gz AUHYKAZNXDSMFH-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000195481829 532478777 /nfs/dbraw/zinc/47/87/77/532478777.db2.gz VRNQKRBYHJZIGS-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C1CCN(CC(F)F)CC1 ZINC000373922665 532479221 /nfs/dbraw/zinc/47/92/21/532479221.db2.gz OUYORBUZTUIVOI-UHFFFAOYSA-N 1 0 375.529 2.441 20 0 GEADRO [NH3+]C[C@@H](NC(=O)CCC(=O)c1ccc(I)cc1)C1CC1 ZINC000429564035 532480460 /nfs/dbraw/zinc/48/04/60/532480460.db2.gz OJDGYPZLXPGLAO-CYBMUJFWSA-N 1 0 386.233 2.108 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629177905 532481769 /nfs/dbraw/zinc/48/17/69/532481769.db2.gz WZDWSJZKQULHJG-ZYHUDNBSSA-N 1 0 391.693 2.053 20 0 GEADRO C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000651621970 532482371 /nfs/dbraw/zinc/48/23/71/532482371.db2.gz JUPWLZBUAKPDIT-YJBOKZPZSA-N 1 0 385.961 2.128 20 0 GEADRO Cc1cc(SCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(C)cc1Br ZINC000629178819 532482412 /nfs/dbraw/zinc/48/24/12/532482412.db2.gz ANUNVBMNNAQKET-CYBMUJFWSA-N 1 0 387.343 2.341 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNc1ncnc2cc(I)sc21 ZINC000593464415 532482692 /nfs/dbraw/zinc/48/26/92/532482692.db2.gz FVVAMMWMCXDZSV-LBPRGKRZSA-N 1 0 392.266 2.020 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000562761954 532482745 /nfs/dbraw/zinc/48/27/45/532482745.db2.gz PHHJNHYZKSDOGF-JTQLQIEISA-N 1 0 396.314 3.041 20 0 GEADRO O=C(COC1C[NH2+]C1)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 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CCN(CCOc1ccc(Br)cc1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000236885090 532500588 /nfs/dbraw/zinc/50/05/88/532500588.db2.gz CUTHCGDCGDWMPJ-MRXNPFEDSA-N 1 0 385.302 2.445 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1Cl ZINC000236970016 532500945 /nfs/dbraw/zinc/50/09/45/532500945.db2.gz YSYXGPZMDQZROL-STQMWFEESA-N 1 0 387.933 2.193 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000430604067 532501345 /nfs/dbraw/zinc/50/13/45/532501345.db2.gz LSZJMMHAWSKATE-WFASDCNBSA-N 1 0 375.332 2.425 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccc(I)cc1 ZINC000430624588 532501551 /nfs/dbraw/zinc/50/15/51/532501551.db2.gz JBECJEAESGEMAC-FZMZJTMJSA-N 1 0 387.265 2.431 20 0 GEADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000629788014 532501813 /nfs/dbraw/zinc/50/18/13/532501813.db2.gz BXSJULSZVHXLSV-HNNXBMFYSA-N 1 0 388.295 2.091 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000430579943 532501975 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O=C(CC[NH+]1CCN(c2ncc[nH]2)CC1)Nc1ccc(Br)cc1F ZINC000653646565 532538737 /nfs/dbraw/zinc/53/87/37/532538737.db2.gz ZJUUCBOORKLFIG-UHFFFAOYSA-N 1 0 396.264 2.462 20 0 GEADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cc(Br)ccc2Br)C1 ZINC000564936807 532539235 /nfs/dbraw/zinc/53/92/35/532539235.db2.gz RRQASBACMSWHEY-CMPLNLGQSA-N 1 0 392.091 2.205 20 0 GEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)C2)CC1 ZINC000375178767 532539503 /nfs/dbraw/zinc/53/95/03/532539503.db2.gz GUWDKKMORQCDOH-LXZKKBNFSA-N 1 0 389.371 2.380 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000564937789 532539706 /nfs/dbraw/zinc/53/97/06/532539706.db2.gz PXAMLQRGOZGTCQ-UHFFFAOYSA-N 1 0 379.766 2.388 20 0 GEADRO Cc1c(C(=O)N[C@H](CC[NH3+])C(F)F)nnn1-c1cccc(Br)c1 ZINC000564953943 532539830 /nfs/dbraw/zinc/53/98/30/532539830.db2.gz ILGCDDAJBHKOLY-LLVKDONJSA-N 1 0 388.216 2.051 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCc2ccc(I)cc21)C(=O)NCCF ZINC000595039500 532541400 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C[NH+](C)[C@H](CNC(=O)c1cc(Cl)sc1S(N)(=O)=O)c1cccs1 ZINC000283114830 532520095 /nfs/dbraw/zinc/52/00/95/532520095.db2.gz YIKKEVQXLWQSKI-SECBINFHSA-N 1 0 393.943 2.143 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2S(N)(=O)=O)C1 ZINC000631136567 532544844 /nfs/dbraw/zinc/54/48/44/532544844.db2.gz NKTOHVYTCLJYOI-LLVKDONJSA-N 1 0 381.420 2.153 20 0 GEADRO COCCc1ncc(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)s1 ZINC000631131575 532544921 /nfs/dbraw/zinc/54/49/21/532544921.db2.gz NWCQRIIDLMTKSF-AWEZNQCLSA-N 1 0 383.539 2.179 20 0 GEADRO CC(C)[NH+](CCCNC(=O)c1ccc(CCNS(C)(=O)=O)s1)C(C)C ZINC000470213980 532522916 /nfs/dbraw/zinc/52/29/16/532522916.db2.gz AUQRWTBZIASLSJ-UHFFFAOYSA-N 1 0 389.587 2.079 20 0 GEADRO COc1cc(NC(=O)CC[N@@H+]2CCSC[C@@H]2CCO)c(OC)cc1Cl ZINC000470200898 532523214 /nfs/dbraw/zinc/52/32/14/532523214.db2.gz ORPLMGCFKYCPNC-LBPRGKRZSA-N 1 0 388.917 2.486 20 0 GEADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000564361705 532523606 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NNZPROYINCJANO-AWEZNQCLSA-N 1 0 389.949 2.245 20 0 GEADRO O=C(CC[NH2+]Cc1ccc(I)cc1)NCc1cccnc1 ZINC000296580310 532528744 /nfs/dbraw/zinc/52/87/44/532528744.db2.gz WUYZSEOKNLWKOB-UHFFFAOYSA-N 1 0 395.244 2.482 20 0 GEADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000653055849 532529054 /nfs/dbraw/zinc/52/90/54/532529054.db2.gz NUJASNFWVVSDEF-XHDPSFHLSA-N 1 0 380.286 2.287 20 0 GEADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000653049312 532529346 /nfs/dbraw/zinc/52/93/46/532529346.db2.gz CHTMFVDLLOZFJB-UHFFFAOYSA-N 1 0 383.265 2.047 20 0 GEADRO CC1(NC(=O)c2ncc(Br)cc2Br)CC[NH2+]CC1 ZINC000564563881 532529460 /nfs/dbraw/zinc/52/94/60/532529460.db2.gz KFDIBSNWKXCLPH-UHFFFAOYSA-N 1 0 377.080 2.479 20 0 GEADRO O=C(NCCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)c1cccc(Br)c1 ZINC000653083194 532530042 /nfs/dbraw/zinc/53/00/42/532530042.db2.gz RBRHVRZCHVOQBD-HOTGVXAUSA-N 1 0 394.313 2.216 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3ccccc3I)C[C@H]21 ZINC000375043055 532530252 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/nfs/dbraw/zinc/55/54/48/532555448.db2.gz MJBRLQDDAVTZMS-CJNGLKHVSA-N 1 0 387.293 2.340 20 0 GEADRO COC(=O)[C@@H](c1ccccc1Br)N1CC[NH+](CC(C)(C)O)CC1 ZINC000595306115 532555525 /nfs/dbraw/zinc/55/55/25/532555525.db2.gz KVXUMVBWFDCUCX-OAHLLOKOSA-N 1 0 385.302 2.052 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000654252077 532555492 /nfs/dbraw/zinc/55/54/92/532555492.db2.gz CPQNMZQOGPOLPD-BBRMVZONSA-N 1 0 399.329 2.209 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccccc2Br)C1 ZINC000283970710 532569820 /nfs/dbraw/zinc/56/98/20/532569820.db2.gz ZHVGKVWEFPYTQZ-KGLIPLIRSA-N 1 0 382.302 2.054 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(F)c(F)cc3I)C[C@H]12 ZINC000248694251 532555818 /nfs/dbraw/zinc/55/58/18/532555818.db2.gz YKJINITZVIGCML-DXVIDONBSA-N 1 0 392.187 2.379 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528047480 532558175 /nfs/dbraw/zinc/55/81/75/532558175.db2.gz FRLDMNMYBPVRAF-CYBMUJFWSA-N 1 0 393.278 2.160 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528053965 532558220 /nfs/dbraw/zinc/55/82/20/532558220.db2.gz ZQUDWERXHJATQS-CYBMUJFWSA-N 1 0 393.278 2.160 20 0 GEADRO OC[C@@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1ccc(Br)c(F)c1 ZINC000433210988 532558845 /nfs/dbraw/zinc/55/88/45/532558845.db2.gz WKWMADDYMDBLEB-JOYOIKCWSA-N 1 0 390.171 2.151 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000528050500 532558846 /nfs/dbraw/zinc/55/88/46/532558846.db2.gz ZCLFUKSJZYEWLK-AWEZNQCLSA-N 1 0 390.347 2.134 20 0 GEADRO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000631754231 532559363 /nfs/dbraw/zinc/55/93/63/532559363.db2.gz BXJXVWQITMDYFR-KCPJHIHWSA-N 1 0 378.416 2.309 20 0 GEADRO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](C[C@H](O)COCC(F)(F)F)C1 ZINC000433209818 532559848 /nfs/dbraw/zinc/55/98/48/532559848.db2.gz SFPRPVGGNAQPSA-KGLIPLIRSA-N 1 0 381.464 2.145 20 0 GEADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000283829545 532560086 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20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NC[C@](C)(O)CC[NH+](C)C)c(Br)c1 ZINC000473271242 532586570 /nfs/dbraw/zinc/58/65/70/532586570.db2.gz IWASAGAPWQVCPH-CXAGYDPISA-N 1 0 387.318 2.344 20 0 GEADRO C[C@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)[C@@H](C)[C@H]1[NH3+] ZINC000297399942 532586726 /nfs/dbraw/zinc/58/67/26/532586726.db2.gz PDNFRKKMVYYZRW-BHDSKKPTSA-N 1 0 389.315 2.050 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCc4cc(Br)ccc43)C[C@H]2[NH3+])cn1 ZINC000566011286 532587149 /nfs/dbraw/zinc/58/71/49/532587149.db2.gz ONGGBTQDUSBULG-IXDOHACOSA-N 1 0 389.297 2.166 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000375910546 532587432 /nfs/dbraw/zinc/58/74/32/532587432.db2.gz USFSQUNCKSFFON-OCCSQVGLSA-N 1 0 385.917 2.410 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000566004613 532587786 /nfs/dbraw/zinc/58/77/86/532587786.db2.gz LJMHWZRKKMEVPU-GMSGAONNSA-N 1 0 377.080 2.334 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)COc1ccc(Br)cc1Cl ZINC000473264362 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C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000633040713 532659548 /nfs/dbraw/zinc/65/95/48/532659548.db2.gz RPFZVXYEJBBCQD-RNFRBKRXSA-N 1 0 378.629 2.128 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)C[C@H]1[NH+](C)C ZINC000535543162 532683626 /nfs/dbraw/zinc/68/36/26/532683626.db2.gz QFABIRKSHKDZTO-GVDBMIGSSA-N 1 0 383.945 2.411 20 0 GEADRO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CNc3ccnn3C2)ccc1Br ZINC000600812086 532684042 /nfs/dbraw/zinc/68/40/42/532684042.db2.gz PCQVIBFARWDIJU-GFCCVEGCSA-N 1 0 378.274 2.224 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378235279 532684779 /nfs/dbraw/zinc/68/47/79/532684779.db2.gz XGYIZBDZLYHVME-GXTWGEPZSA-N 1 0 386.901 2.264 20 0 GEADRO CO[C@@H]1CC[C@H]2OCCN(Cc3cnn4cc(Br)cnc34)[C@H]2C1 ZINC000638180064 532684794 /nfs/dbraw/zinc/68/47/94/532684794.db2.gz LAPBTUXWOAESAC-QLFBSQMISA-N 1 0 381.274 2.260 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000638201002 532685351 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CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000378009708 532676376 /nfs/dbraw/zinc/67/63/76/532676376.db2.gz YNWBSBIOJNDQPP-HUUCEWRRSA-N 1 0 385.961 2.281 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000535203531 532676661 /nfs/dbraw/zinc/67/66/61/532676661.db2.gz XLBVNKNMMOTTAT-MRXNPFEDSA-N 1 0 387.933 2.067 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000285376426 532676708 /nfs/dbraw/zinc/67/67/08/532676708.db2.gz KYGYWHQETJBRQJ-HNNXBMFYSA-N 1 0 385.306 2.173 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCc1cc(Br)cc2c1OCC2 ZINC000568450831 532676805 /nfs/dbraw/zinc/67/68/05/532676805.db2.gz SGKTYZFUSKDBRL-UHFFFAOYSA-N 1 0 391.331 2.145 20 0 GEADRO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000264468580 532677078 /nfs/dbraw/zinc/67/70/78/532677078.db2.gz WRQBMJPTROEZRF-CYBMUJFWSA-N 1 0 396.329 2.036 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000378049186 532677589 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C[N@@H+]1CCN(CCNc2ncnc3cc(F)c(Br)cc32)CC1(C)C ZINC000568587494 532681095 /nfs/dbraw/zinc/68/10/95/532681095.db2.gz QIMCEXGYEYLGPH-UHFFFAOYSA-N 1 0 396.308 2.969 20 0 GEADRO Cn1cc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc(Br)c1=O ZINC000378159643 532681235 /nfs/dbraw/zinc/68/12/35/532681235.db2.gz QBPLHLUPOLAPPL-NJZAAPMLSA-N 1 0 395.301 2.096 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638148916 532682265 /nfs/dbraw/zinc/68/22/65/532682265.db2.gz PEKAAUHJJLYPQW-INWMFGNUSA-N 1 0 394.313 2.136 20 0 GEADRO C[N@H+](Cc1ccc(S(N)(=O)=O)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000638140316 532682666 /nfs/dbraw/zinc/68/26/66/532682666.db2.gz YSBKVMDWFXCDJE-MRXNPFEDSA-N 1 0 399.310 2.262 20 0 GEADRO OCC[N@H+](CCOCC(F)(F)F)C[C@H](O)COCc1ccccc1Cl ZINC000264912741 532682846 /nfs/dbraw/zinc/68/28/46/532682846.db2.gz XJYYVOGGKLHYPA-AWEZNQCLSA-N 1 0 385.810 2.091 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)s1 ZINC000568609001 532683003 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O=C(NCCc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665108892 532692806 /nfs/dbraw/zinc/69/28/06/532692806.db2.gz UAEOQUVAIACTKV-QGZVFWFLSA-N 1 0 396.329 2.232 20 0 GEADRO Cc1cc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000665109151 532693536 /nfs/dbraw/zinc/69/35/36/532693536.db2.gz DVSIEUKYVPMYLM-INIZCTEOSA-N 1 0 396.329 2.498 20 0 GEADRO NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439455568 532693672 /nfs/dbraw/zinc/69/36/72/532693672.db2.gz VMBKNCUPIHBJLN-KGLIPLIRSA-N 1 0 389.265 2.058 20 0 GEADRO CCc1csc(-n2cc(C(=O)NCC3(SC)CC[NH+](C)CC3)cn2)n1 ZINC000569280706 532695176 /nfs/dbraw/zinc/69/51/76/532695176.db2.gz HIOVKZUCHDISSN-UHFFFAOYSA-N 1 0 379.555 2.448 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CCS1 ZINC000265375507 532695595 /nfs/dbraw/zinc/69/55/95/532695595.db2.gz YWWAQJONCZZJRW-GFCCVEGCSA-N 1 0 385.917 2.183 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC000640748452 532695818 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385.917 2.469 20 0 GEADRO COc1cc(NC(=O)CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(OC)cc1Cl ZINC000270659654 532801255 /nfs/dbraw/zinc/80/12/55/532801255.db2.gz OIMFHYHLFFAFRH-CJNGLKHVSA-N 1 0 387.933 2.273 20 0 GEADRO COc1sc(CN2CC[NH+](CCC(=O)N(C)C)CC2)cc1Br ZINC000271187295 532804582 /nfs/dbraw/zinc/80/45/82/532804582.db2.gz NMCMEVXRKYPHEO-UHFFFAOYSA-N 1 0 390.347 2.115 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)CCO2 ZINC000272097705 532812923 /nfs/dbraw/zinc/81/29/23/532812923.db2.gz VAZATWFQKXIVRK-HIFRSBDPSA-N 1 0 379.400 2.411 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)CCO2 ZINC000272101415 532813247 /nfs/dbraw/zinc/81/32/47/532813247.db2.gz VPQQNPYHFCXPDU-LRDDRELGSA-N 1 0 379.400 2.253 20 0 GEADRO C[C@@H]1OCC[C@@]12C[N@H+](C[C@H](O)COc1ccc(Br)cc1)CCO2 ZINC000329949614 532813391 /nfs/dbraw/zinc/81/33/91/532813391.db2.gz LZQRPWHBYZCSEI-JLJPHGGASA-N 1 0 386.286 2.069 20 0 GEADRO C[C@@H]1OCC[C@@]12C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)CCO2 ZINC000329949635 532813434 /nfs/dbraw/zinc/81/34/34/532813434.db2.gz LZQRPWHBYZCSEI-YSVLISHTSA-N 1 0 386.286 2.069 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)NCc2cc(Cl)sc2Cl)CC[N@H+](C)C1 ZINC000413422073 532812245 /nfs/dbraw/zinc/81/22/45/532812245.db2.gz LOKQSAFUOBFVRQ-SNVBAGLBSA-N 1 0 380.297 2.301 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1 ZINC000413793239 532814909 /nfs/dbraw/zinc/81/49/09/532814909.db2.gz AELVMBPXNYHPRS-HNNXBMFYSA-N 1 0 384.318 2.092 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn2cc(Br)cnc12 ZINC000272212679 532813638 /nfs/dbraw/zinc/81/36/38/532813638.db2.gz RWMLLNWLEGFDAT-LLVKDONJSA-N 1 0 380.290 2.294 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000413724769 532814158 /nfs/dbraw/zinc/81/41/58/532814158.db2.gz JOLRMRXFEBPIEC-KBPBESRZSA-N 1 0 384.318 2.354 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ncc1Br ZINC000288009430 532814523 /nfs/dbraw/zinc/81/45/23/532814523.db2.gz HEOVODCFCRULQH-CHWSQXEVSA-N 1 0 395.301 2.176 20 0 GEADRO C[NH+](C)CCOc1cc(C(=O)Nc2nnc(CC(F)(F)F)s2)ccn1 ZINC000272703965 532817420 /nfs/dbraw/zinc/81/74/20/532817420.db2.gz SYZNZRVSLKEPOZ-UHFFFAOYSA-N 1 0 375.376 2.231 20 0 GEADRO Cc1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc(F)c1Br ZINC000414034669 532817751 /nfs/dbraw/zinc/81/77/51/532817751.db2.gz FWIUIOXPTHDXET-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO O=C(Nc1ccncc1Br)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000272485846 532815954 /nfs/dbraw/zinc/81/59/54/532815954.db2.gz AGTPIZMEGTZDFJ-HUUCEWRRSA-N 1 0 383.290 2.343 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000288043471 532816101 /nfs/dbraw/zinc/81/61/01/532816101.db2.gz IUTZXPVAAXQOSC-WFASDCNBSA-N 1 0 380.286 2.473 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3I)[C@H]2C1 ZINC000272500358 532816508 /nfs/dbraw/zinc/81/65/08/532816508.db2.gz NSRLXQHACBQACN-DOMZBBRYSA-N 1 0 384.261 2.386 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000288096644 532817188 /nfs/dbraw/zinc/81/71/88/532817188.db2.gz INEHMFUFRJNSMN-OAHLLOKOSA-N 1 0 384.322 2.306 20 0 GEADRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000272812794 532818424 /nfs/dbraw/zinc/81/84/24/532818424.db2.gz CVSFEDRNQWSFCP-QGZVFWFLSA-N 1 0 380.535 2.492 20 0 GEADRO C[NH+]1CCN(C[C@@H](O)COc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000414137011 532819093 /nfs/dbraw/zinc/81/90/93/532819093.db2.gz FYXTZYWLPHXVFC-LLVKDONJSA-N 1 0 397.235 2.455 20 0 GEADRO C[C@@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1=CC[N@H+](C)CC1 ZINC000272905545 532819178 /nfs/dbraw/zinc/81/91/78/532819178.db2.gz KVELGAAKMIGMCV-SNVBAGLBSA-N 1 0 394.269 2.160 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cnc1Br ZINC000272882369 532819298 /nfs/dbraw/zinc/81/92/98/532819298.db2.gz UYCUAFZXRQATTI-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414098661 532819409 /nfs/dbraw/zinc/81/94/09/532819409.db2.gz QKJGTSVZYDVTBC-NSHDSACASA-N 1 0 383.290 2.094 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000330501133 532819673 /nfs/dbraw/zinc/81/96/73/532819673.db2.gz ABCDHYSRXZJLGX-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc([S@](C)=O)cc1 ZINC000272926422 532819954 /nfs/dbraw/zinc/81/99/54/532819954.db2.gz JMYNJEIIWNHBFT-VUSMEJPJSA-N 1 0 381.519 2.212 20 0 GEADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414138926 532819992 /nfs/dbraw/zinc/81/99/92/532819992.db2.gz FZKIFGAQJAMEMX-AAEUAGOBSA-N 1 0 393.285 2.320 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000330504556 532820017 /nfs/dbraw/zinc/82/00/17/532820017.db2.gz FDWXTYVXGBCXDL-UHFFFAOYSA-N 1 0 382.707 2.132 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C)cc1Br ZINC000330516551 532820511 /nfs/dbraw/zinc/82/05/11/532820511.db2.gz WRYCMQRHDGZYBF-ZDUSSCGKSA-N 1 0 391.331 2.147 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000414060162 532818161 /nfs/dbraw/zinc/81/81/61/532818161.db2.gz APMYFJASJNGIJQ-DZGCQCFKSA-N 1 0 390.281 2.394 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000330549794 532821197 /nfs/dbraw/zinc/82/11/97/532821197.db2.gz WLBJNEKKZYSGTP-UHFFFAOYSA-N 1 0 388.736 2.193 20 0 GEADRO C[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(F)cc1Br ZINC000414355397 532821762 /nfs/dbraw/zinc/82/17/62/532821762.db2.gz XERSEBPRJRKFAG-JTQLQIEISA-N 1 0 384.253 2.410 20 0 GEADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414354999 532821769 /nfs/dbraw/zinc/82/17/69/532821769.db2.gz WOZRRJOBSJFNEU-LLVKDONJSA-N 1 0 398.280 2.280 20 0 GEADRO COc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000330597440 532821942 /nfs/dbraw/zinc/82/19/42/532821942.db2.gz CXQIWVWYOAWQNT-KBPBESRZSA-N 1 0 391.331 2.408 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414351429 532821987 /nfs/dbraw/zinc/82/19/87/532821987.db2.gz NIERUVYRPRXBJN-LLVKDONJSA-N 1 0 398.280 2.280 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C[C@@H]1C ZINC000330609050 532822079 /nfs/dbraw/zinc/82/20/79/532822079.db2.gz LRSZNUDWCULTTB-QWHCGFSZSA-N 1 0 384.311 2.461 20 0 GEADRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414367871 532822206 /nfs/dbraw/zinc/82/22/06/532822206.db2.gz RBRJEFFQIWJOMI-AWEZNQCLSA-N 1 0 393.347 2.229 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000288252344 532822263 /nfs/dbraw/zinc/82/22/63/532822263.db2.gz SVYUXUWEIHOXGZ-JSGCOSHPSA-N 1 0 395.301 2.176 20 0 GEADRO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCOCC1 ZINC000414362151 532822566 /nfs/dbraw/zinc/82/25/66/532822566.db2.gz JBVGZKXBYXLGJO-CQSZACIVSA-N 1 0 391.331 2.391 20 0 GEADRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414395786 532824281 /nfs/dbraw/zinc/82/42/81/532824281.db2.gz RDQUPOMSFYKPRT-ZIAGYGMSSA-N 1 0 387.933 2.160 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnc1Br ZINC000288307412 532824323 /nfs/dbraw/zinc/82/43/23/532824323.db2.gz YXDVZXLWZKFEJK-PBWFPOADSA-N 1 0 395.301 2.175 20 0 GEADRO CS[C@H]1CN(C(=O)CCCNC(=O)c2ccsc2)C[C@H]1[NH+]1CCCC1 ZINC000273481093 532824942 /nfs/dbraw/zinc/82/49/42/532824942.db2.gz IWNSPIBHRFRAHJ-CVEARBPZSA-N 1 0 381.567 2.296 20 0 GEADRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1nc2ccc(Br)cn2n1 ZINC000414406555 532825003 /nfs/dbraw/zinc/82/50/03/532825003.db2.gz WCJQLPSVESKZAD-CQSZACIVSA-N 1 0 392.301 2.486 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000330671033 532825296 /nfs/dbraw/zinc/82/52/96/532825296.db2.gz DZMXOOMDKGIMLN-ZDUSSCGKSA-N 1 0 396.329 2.368 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000273554047 532826193 /nfs/dbraw/zinc/82/61/93/532826193.db2.gz ZFXHZIMTWWOYNL-ZDUSSCGKSA-N 1 0 380.905 2.226 20 0 GEADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000288406784 532826339 /nfs/dbraw/zinc/82/63/39/532826339.db2.gz JLIYHXHWLOLBSI-GARJFASQSA-N 1 0 380.436 2.319 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1Cl ZINC000414385278 532823903 /nfs/dbraw/zinc/82/39/03/532823903.db2.gz WUSRCMVCMYGZCB-CYBMUJFWSA-N 1 0 382.869 2.307 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000273445972 532824224 /nfs/dbraw/zinc/82/42/24/532824224.db2.gz ZTSJJAZSARDQDM-KBAYOESNSA-N 1 0 385.551 2.104 20 0 GEADRO Cc1cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ccc1C(F)(F)F ZINC000414437332 532827009 /nfs/dbraw/zinc/82/70/09/532827009.db2.gz HUODOGSYKUFTCZ-CQSZACIVSA-N 1 0 379.448 2.374 20 0 GEADRO COC(C[N@H+](CCCO)C[C@@H](O)COc1cc(Cl)ccc1Cl)OC ZINC000273590087 532827597 /nfs/dbraw/zinc/82/75/97/532827597.db2.gz JBFMSQUDOXKPOP-CYBMUJFWSA-N 1 0 382.284 2.036 20 0 GEADRO CN(CC(F)(F)Br)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000288466242 532828349 /nfs/dbraw/zinc/82/83/49/532828349.db2.gz ZZKOGSQDDMGJFI-UHFFFAOYSA-N 1 0 390.272 2.494 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c1 ZINC000414455649 532828402 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C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000415397853 532843927 /nfs/dbraw/zinc/84/39/27/532843927.db2.gz JUUXNSQCNOAJEX-UHFFFAOYSA-N 1 0 386.265 2.293 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415404943 532844473 /nfs/dbraw/zinc/84/44/73/532844473.db2.gz LYMYNDTXHKJKOR-SECBINFHSA-N 1 0 390.228 2.172 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415430865 532845024 /nfs/dbraw/zinc/84/50/24/532845024.db2.gz TZRLSLXTVBROTB-CQSZACIVSA-N 1 0 383.290 2.115 20 0 GEADRO [NH3+]C[C@@H](NC(=O)Nc1ccncc1I)C1CCCCC1 ZINC000415424082 532845155 /nfs/dbraw/zinc/84/51/55/532845155.db2.gz HTKBJDCAGFNIQZ-CYBMUJFWSA-N 1 0 388.253 2.137 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1Br ZINC000415440255 532845397 /nfs/dbraw/zinc/84/53/97/532845397.db2.gz NWDOFIKCAOSGPT-JTQLQIEISA-N 1 0 376.682 2.449 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415432522 532845577 /nfs/dbraw/zinc/84/55/77/532845577.db2.gz FVEBXOZGRYBTFL-RKDXNWHRSA-N 1 0 390.228 2.252 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415440532 532845591 /nfs/dbraw/zinc/84/55/91/532845591.db2.gz DVDPIKFCLYFCLE-LLVKDONJSA-N 1 0 376.682 2.449 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)C1CC1 ZINC000415446168 532845800 /nfs/dbraw/zinc/84/58/00/532845800.db2.gz FXQOHFHSBKGIQF-NSHDSACASA-N 1 0 379.766 2.073 20 0 GEADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)Nc1ccc(Br)cn1 ZINC000415455418 532846234 /nfs/dbraw/zinc/84/62/34/532846234.db2.gz UBOOTOTVIMOCOW-UHFFFAOYSA-N 1 0 383.290 2.211 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000289066008 532846300 /nfs/dbraw/zinc/84/63/00/532846300.db2.gz ODUUJOKWKBKGJI-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415451367 532846101 /nfs/dbraw/zinc/84/61/01/532846101.db2.gz SQZBNOHGYPVMQS-IUCAKERBSA-N 1 0 390.228 2.252 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1Br ZINC000415465967 532846524 /nfs/dbraw/zinc/84/65/24/532846524.db2.gz SMMJTALLTZEZIK-CQSZACIVSA-N 1 0 398.301 2.420 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000415459442 532846569 /nfs/dbraw/zinc/84/65/69/532846569.db2.gz ZKZUDEWYHFEQKQ-ZJUUUORDSA-N 1 0 375.803 2.466 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415485936 532846743 /nfs/dbraw/zinc/84/67/43/532846743.db2.gz DRKSTKJLHGPBMD-MRVPVSSYSA-N 1 0 392.656 2.391 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415480352 532846875 /nfs/dbraw/zinc/84/68/75/532846875.db2.gz HJTVYGREIHVVAQ-UHFFFAOYSA-N 1 0 378.217 2.109 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000415490866 532847407 /nfs/dbraw/zinc/84/74/07/532847407.db2.gz VUQPVLWPSFONGK-YPMHNXCESA-N 1 0 396.285 2.139 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415490372 532847470 /nfs/dbraw/zinc/84/74/70/532847470.db2.gz YEXXBBBUHDHNSE-UHFFFAOYSA-N 1 0 383.290 2.103 20 0 GEADRO CN(C(=O)Nc1cc(Br)cnc1-n1cccn1)C1CC[NH2+]CC1 ZINC000415486348 532847558 /nfs/dbraw/zinc/84/75/58/532847558.db2.gz PYRPCWGOXBAECL-UHFFFAOYSA-N 1 0 379.262 2.246 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274338568 532848123 /nfs/dbraw/zinc/84/81/23/532848123.db2.gz AGAJPUDLMDGZGW-JTQLQIEISA-N 1 0 389.681 2.037 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415498081 532847751 /nfs/dbraw/zinc/84/77/51/532847751.db2.gz JACKDELVNZJEGJ-VIFPVBQESA-N 1 0 382.287 2.780 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415505221 532847883 /nfs/dbraw/zinc/84/78/83/532847883.db2.gz XNZBZFHBFBSCRY-GFCCVEGCSA-N 1 0 385.281 2.408 20 0 GEADRO Cc1nc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1Br ZINC000415498437 532847898 /nfs/dbraw/zinc/84/78/98/532847898.db2.gz QHZGHSFQMFSHSG-GFCCVEGCSA-N 1 0 398.305 2.004 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415496778 532847931 /nfs/dbraw/zinc/84/79/31/532847931.db2.gz KTPGTJKWOAQAOA-VIFPVBQESA-N 1 0 378.217 2.300 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415507099 532848475 /nfs/dbraw/zinc/84/84/75/532848475.db2.gz UUBUDYRMEGNFLY-ZETCQYMHSA-N 1 0 388.266 2.823 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415527709 532848720 /nfs/dbraw/zinc/84/87/20/532848720.db2.gz RMHDNVBDRHDYDQ-GHMZBOCLSA-N 1 0 380.286 2.072 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000289154112 532848921 /nfs/dbraw/zinc/84/89/21/532848921.db2.gz RVMQHNXWEWVDDS-DGCLKSJQSA-N 1 0 395.301 2.176 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000332090323 532849059 /nfs/dbraw/zinc/84/90/59/532849059.db2.gz UZMKLSQPOZYWDY-HOTGVXAUSA-N 1 0 383.539 2.079 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Br ZINC000415541862 532849395 /nfs/dbraw/zinc/84/93/95/532849395.db2.gz OSMGGPSATFMISD-FUNVUKJBSA-N 1 0 380.286 2.437 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415536588 532849476 /nfs/dbraw/zinc/84/94/76/532849476.db2.gz ZYODREDHKXUHEW-NXEZZACHSA-N 1 0 375.416 2.317 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415540242 532849329 /nfs/dbraw/zinc/84/93/29/532849329.db2.gz LIIMFFFFEXSUKM-ONXXMXGDSA-N 1 0 396.285 2.138 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415547945 532849997 /nfs/dbraw/zinc/84/99/97/532849997.db2.gz DNQMOGGIWLVYJT-JTQLQIEISA-N 1 0 384.267 2.030 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415547946 532849811 /nfs/dbraw/zinc/84/98/11/532849811.db2.gz DNQMOGGIWLVYJT-SNVBAGLBSA-N 1 0 384.267 2.030 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000289211724 532850154 /nfs/dbraw/zinc/85/01/54/532850154.db2.gz SRHJUHQVMZLWHC-UHFFFAOYSA-N 1 0 379.551 2.362 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415577241 532850763 /nfs/dbraw/zinc/85/07/63/532850763.db2.gz YXSNGVXPKVWRMR-VXGBXAGGSA-N 1 0 398.301 2.384 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415577740 532850875 /nfs/dbraw/zinc/85/08/75/532850875.db2.gz YFKWPUSZALXUQX-UHFFFAOYSA-N 1 0 386.265 2.341 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1Br ZINC000415620491 532851184 /nfs/dbraw/zinc/85/11/84/532851184.db2.gz UWRCFFBHXWJFIR-UFBFGSQYSA-N 1 0 388.693 2.464 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1Br ZINC000415617252 532851212 /nfs/dbraw/zinc/85/12/12/532851212.db2.gz VGCJDNSSMOHIQX-ZYHUDNBSSA-N 1 0 382.258 2.451 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000415614508 532851305 /nfs/dbraw/zinc/85/13/05/532851305.db2.gz OVBJOBZQOSKYJA-MNOVXSKESA-N 1 0 382.258 2.309 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(F)cc(Br)c1F ZINC000415618982 532851449 /nfs/dbraw/zinc/85/14/49/532851449.db2.gz JBKXPWADTHQHPY-UHFFFAOYSA-N 1 0 377.233 2.144 20 0 GEADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000415635290 532851925 /nfs/dbraw/zinc/85/19/25/532851925.db2.gz CLXDMNQFDAZTFU-NSHDSACASA-N 1 0 386.239 2.359 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415645399 532851955 /nfs/dbraw/zinc/85/19/55/532851955.db2.gz LPGQFXAYCSWLCB-NEPJUHHUSA-N 1 0 391.269 2.322 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415641750 532851988 /nfs/dbraw/zinc/85/19/88/532851988.db2.gz GGWOXVWILJUPPU-RKDXNWHRSA-N 1 0 376.201 2.052 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415652965 532852091 /nfs/dbraw/zinc/85/20/91/532852091.db2.gz RNFBZXRYJIKLJL-OLZOCXBDSA-N 1 0 391.269 2.322 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415652902 532852139 /nfs/dbraw/zinc/85/21/39/532852139.db2.gz RKLHYNWKQJDMCH-RKDXNWHRSA-N 1 0 376.201 2.052 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415647542 532852332 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COc1cc(I)ccc1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415773617 532856998 /nfs/dbraw/zinc/85/69/98/532856998.db2.gz NKJQKJPQCSYFLP-VIFPVBQESA-N 1 0 375.210 2.112 20 0 GEADRO COc1cc(I)ccc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415772142 532857000 /nfs/dbraw/zinc/85/70/00/532857000.db2.gz JAQAVUNNCRREET-SNVBAGLBSA-N 1 0 375.210 2.159 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415782721 532857186 /nfs/dbraw/zinc/85/71/86/532857186.db2.gz HAZZLBBYNUWBJJ-MRVPVSSYSA-N 1 0 382.180 2.260 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000289522921 532857316 /nfs/dbraw/zinc/85/73/16/532857316.db2.gz GBJOSNIKDIHWLL-UHFFFAOYSA-N 1 0 378.274 2.460 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1CC([NH3+])C1 ZINC000415789572 532857345 /nfs/dbraw/zinc/85/73/45/532857345.db2.gz NTNMWLNTVGXDSD-UHFFFAOYSA-N 1 0 379.766 2.168 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1cccc2c(Br)ccnc12 ZINC000415782281 532857357 /nfs/dbraw/zinc/85/73/57/532857357.db2.gz BEKXXRJFQNCLPH-UHFFFAOYSA-N 1 0 378.274 2.024 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415801328 532857841 /nfs/dbraw/zinc/85/78/41/532857841.db2.gz FEHDLHWGWRBESO-MNOVXSKESA-N 1 0 386.265 2.469 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415801363 532857945 /nfs/dbraw/zinc/85/79/45/532857945.db2.gz GKSLJTZWGCMZEW-LBPRGKRZSA-N 1 0 395.301 2.308 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000415804150 532858265 /nfs/dbraw/zinc/85/82/65/532858265.db2.gz HWTOKLCKWWVQMJ-WDEREUQCSA-N 1 0 386.265 2.469 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)C1CCCC1 ZINC000415822166 532858717 /nfs/dbraw/zinc/85/87/17/532858717.db2.gz KOTYTXWEMKMRDJ-AWEZNQCLSA-N 1 0 398.276 2.111 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415825651 532858725 /nfs/dbraw/zinc/85/87/25/532858725.db2.gz YPLPUKVTPWOOMK-NEPJUHHUSA-N 1 0 398.276 2.375 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)C1CCCC1 ZINC000415823365 532858826 /nfs/dbraw/zinc/85/88/26/532858826.db2.gz PNKMOJQIYWTGBG-LBPRGKRZSA-N 1 0 390.228 2.300 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)C1CCCC1 ZINC000415823364 532858919 /nfs/dbraw/zinc/85/89/19/532858919.db2.gz PNKMOJQIYWTGBG-GFCCVEGCSA-N 1 0 390.228 2.300 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000332621403 532858423 /nfs/dbraw/zinc/85/84/23/532858423.db2.gz ULSPKNLQYAHSGO-CYBMUJFWSA-N 1 0 380.286 2.311 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cncc(Br)c1)[N@@H+]1CCCC[C@@H]1C ZINC000332619775 532858438 /nfs/dbraw/zinc/85/84/38/532858438.db2.gz RXRCCUDZPMTOJL-RYUDHWBXSA-N 1 0 383.290 2.162 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(Br)c1 ZINC000415829383 532859384 /nfs/dbraw/zinc/85/93/84/532859384.db2.gz DYTMYHGOYQFSQD-JTQLQIEISA-N 1 0 396.207 2.400 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000415832436 532859401 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2.109 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415843429 532860395 /nfs/dbraw/zinc/86/03/95/532860395.db2.gz SCVUZCQVOSSGRF-PIGZYNQJSA-N 1 0 398.301 2.148 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415859608 532861041 /nfs/dbraw/zinc/86/10/41/532861041.db2.gz BIXBBUMUUMYVKN-ZDUSSCGKSA-N 1 0 398.301 2.433 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415857254 532861060 /nfs/dbraw/zinc/86/10/60/532861060.db2.gz RBOLPUJTIPZUSL-NWDGAFQWSA-N 1 0 398.276 2.375 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415860449 532861101 /nfs/dbraw/zinc/86/11/01/532861101.db2.gz CDDMKOWAUOUZOR-CYBMUJFWSA-N 1 0 380.286 2.135 20 0 GEADRO Cn1c(SCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nnc1-c1cccs1 ZINC000332724488 532861169 /nfs/dbraw/zinc/86/11/69/532861169.db2.gz LRHYCAHNDVFEDQ-STQMWFEESA-N 1 0 377.539 2.379 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415874686 532861507 /nfs/dbraw/zinc/86/15/07/532861507.db2.gz XIADLJGRARAWIK-UMVBOHGHSA-N 1 0 394.313 2.454 20 0 GEADRO CC(C)(CO)[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000289650774 532861597 /nfs/dbraw/zinc/86/15/97/532861597.db2.gz GCOYMLWRGUSSMK-INIZCTEOSA-N 1 0 384.523 2.124 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415874682 532861669 /nfs/dbraw/zinc/86/16/69/532861669.db2.gz XIADLJGRARAWIK-GZBFAFLISA-N 1 0 394.313 2.454 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415873164 532861682 /nfs/dbraw/zinc/86/16/82/532861682.db2.gz UIMSTEXIEUUIOI-GFCCVEGCSA-N 1 0 384.274 2.045 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1Br ZINC000415871561 532861477 /nfs/dbraw/zinc/86/14/77/532861477.db2.gz QLVISVYJNIKDFQ-GFCCVEGCSA-N 1 0 384.274 2.045 20 0 GEADRO O=C(c1cnc2ccc(Br)cc2c1O)N1CC[NH+]2CCC1CC2 ZINC000332917258 532862091 /nfs/dbraw/zinc/86/20/91/532862091.db2.gz YYVVTGBTQKZFMA-UHFFFAOYSA-N 1 0 376.254 2.211 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000275043658 532861995 /nfs/dbraw/zinc/86/19/95/532861995.db2.gz SAYWQABURKPMKW-IAQYHMDHSA-N 1 0 380.286 2.295 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1Br ZINC000415881102 532862132 /nfs/dbraw/zinc/86/21/32/532862132.db2.gz SYRCOBMDJPPJLF-RWMBFGLXSA-N 1 0 380.286 2.200 20 0 GEADRO CS(=O)(=O)[C@H]1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415948549 532862190 /nfs/dbraw/zinc/86/21/90/532862190.db2.gz CZOKZLOADJHIBL-ZDUSSCGKSA-N 1 0 379.404 2.205 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)C(F)(F)F ZINC000416004198 532862720 /nfs/dbraw/zinc/86/27/20/532862720.db2.gz IHGSGPFVWDPBCI-NSHDSACASA-N 1 0 398.227 2.272 20 0 GEADRO CCN(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000415955317 532862476 /nfs/dbraw/zinc/86/24/76/532862476.db2.gz PWZZOQFBBIVOET-CYBMUJFWSA-N 1 0 379.404 2.205 20 0 GEADRO CCc1ccc(CN2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)s1 ZINC000416007056 532862987 /nfs/dbraw/zinc/86/29/87/532862987.db2.gz MIRUFBHQVNHZBC-AWEZNQCLSA-N 1 0 378.464 2.417 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333134579 532864634 /nfs/dbraw/zinc/86/46/34/532864634.db2.gz CDADNFWAXUQKDY-HUUCEWRRSA-N 1 0 381.318 2.469 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000333151558 532865259 /nfs/dbraw/zinc/86/52/59/532865259.db2.gz FUQZNMRKUKAQNG-MLGOLLRUSA-N 1 0 396.333 2.341 20 0 GEADRO OCc1cn(CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)nn1 ZINC000289844338 532866243 /nfs/dbraw/zinc/86/62/43/532866243.db2.gz QBCPCIHWBKAHRR-HNNXBMFYSA-N 1 0 381.274 2.427 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333342808 532866777 /nfs/dbraw/zinc/86/67/77/532866777.db2.gz PZHHBECFKUOCFT-QWHCGFSZSA-N 1 0 390.285 2.708 20 0 GEADRO C[C@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000333287692 532866507 /nfs/dbraw/zinc/86/65/07/532866507.db2.gz IRGOAHMOSKBYKF-CMPLNLGQSA-N 1 0 379.262 2.231 20 0 GEADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C1CCS(=O)(=O)CC1 ZINC000275158568 532866908 /nfs/dbraw/zinc/86/69/08/532866908.db2.gz AENPHDHOXRHSTN-XHDPSFHLSA-N 1 0 376.316 2.285 20 0 GEADRO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCc2ccc(Br)cc21 ZINC000333352480 532867433 /nfs/dbraw/zinc/86/74/33/532867433.db2.gz BIQAOIRHZFKQHT-CYBMUJFWSA-N 1 0 376.258 2.168 20 0 GEADRO O=S(=O)(c1cc(F)ccc1Cl)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333463023 532869021 /nfs/dbraw/zinc/86/90/21/532869021.db2.gz GWTBTCHCDKONET-UHFFFAOYSA-N 1 0 384.864 2.305 20 0 GEADRO O=C(NC[C@@H]1CC[NH2+]C1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000333475887 532869171 /nfs/dbraw/zinc/86/91/71/532869171.db2.gz BKAVFHIEVVALHP-GFCCVEGCSA-N 1 0 385.295 2.070 20 0 GEADRO O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333500704 532869809 /nfs/dbraw/zinc/86/98/09/532869809.db2.gz CNDJZMRLPQBIHL-HEHGZKQESA-N 1 0 392.297 2.012 20 0 GEADRO O=C(Cc1cc(Cl)ccc1Cl)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333568430 532870843 /nfs/dbraw/zinc/87/08/43/532870843.db2.gz XPBKXJAPALWMKE-HNNXBMFYSA-N 1 0 384.307 2.349 20 0 GEADRO CN(C)c1cc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)ncc1Br ZINC000333693959 532872105 /nfs/dbraw/zinc/87/21/05/532872105.db2.gz QTOAKJWIZATUJP-RYUDHWBXSA-N 1 0 396.289 2.185 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(C)nc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000275326089 532872518 /nfs/dbraw/zinc/87/25/18/532872518.db2.gz LYURYRGXOWFNOY-HNNXBMFYSA-N 1 0 387.933 2.015 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000290095755 532872289 /nfs/dbraw/zinc/87/22/89/532872289.db2.gz HSHMLQJSJPEXKJ-CYBMUJFWSA-N 1 0 377.304 2.144 20 0 GEADRO CC(C)C(=O)Nc1nc(CC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cs1 ZINC000290104680 532873012 /nfs/dbraw/zinc/87/30/12/532873012.db2.gz XVNXAMJSJKJLTK-VIFPVBQESA-N 1 0 379.511 2.191 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)n1 ZINC000333853900 532873841 /nfs/dbraw/zinc/87/38/41/532873841.db2.gz XWHGICZOGAWUDC-AWEZNQCLSA-N 1 0 384.322 2.102 20 0 GEADRO CCCc1cc(=O)n2nc(N3C[C@@H]([NH+]4CCCC4)[C@@H](SC)C3)sc2n1 ZINC000275385322 532874790 /nfs/dbraw/zinc/87/47/90/532874790.db2.gz BZFYGEQTXSZTKS-KGLIPLIRSA-N 1 0 379.555 2.120 20 0 GEADRO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCc2cc(Br)ccc21 ZINC000333865779 532874837 /nfs/dbraw/zinc/87/48/37/532874837.db2.gz SXMDPASROBJZAU-CYBMUJFWSA-N 1 0 376.258 2.168 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000333887696 532875324 /nfs/dbraw/zinc/87/53/24/532875324.db2.gz XMPRWTKJWSQPNV-ZSHCYNCHSA-N 1 0 380.286 2.220 20 0 GEADRO Brc1cc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc2c1OCCCO2 ZINC000333899932 532875171 /nfs/dbraw/zinc/87/51/71/532875171.db2.gz YZUHLMVFUMMSEP-GFCCVEGCSA-N 1 0 394.273 2.092 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1C(F)F ZINC000416391082 532875305 /nfs/dbraw/zinc/87/53/05/532875305.db2.gz OIQFEEYGRPQYEN-NSHDSACASA-N 1 0 378.489 2.455 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNCc2nc3ccccn3c2Br)CC1 ZINC000290190363 532875307 /nfs/dbraw/zinc/87/53/07/532875307.db2.gz CCPIDMGCJQKIGU-OAHLLOKOSA-N 1 0 394.361 2.460 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cc(Br)c4c(c3)OCCO4)C[C@@H]12 ZINC000333937781 532876045 /nfs/dbraw/zinc/87/60/45/532876045.db2.gz LXIOTJURDSZQGU-YRGRVCCFSA-N 1 0 396.285 2.099 20 0 GEADRO O=C(NCc1nc2cc(Cl)ccc2s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333935345 532876122 /nfs/dbraw/zinc/87/61/22/532876122.db2.gz JKDNXJJPHYZOOY-CYBMUJFWSA-N 1 0 379.917 2.139 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000416406313 532876506 /nfs/dbraw/zinc/87/65/06/532876506.db2.gz FEFGKFOXWLKCPH-WCQYABFASA-N 1 0 376.906 2.318 20 0 GEADRO C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417186292 532879035 /nfs/dbraw/zinc/87/90/35/532879035.db2.gz VELPKNJVVDZKQY-QWRGUYRKSA-N 1 0 384.274 2.285 20 0 GEADRO C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417186291 532879083 /nfs/dbraw/zinc/87/90/83/532879083.db2.gz VELPKNJVVDZKQY-MNOVXSKESA-N 1 0 384.274 2.285 20 0 GEADRO [NH3+]C1CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000417265895 532879288 /nfs/dbraw/zinc/87/92/88/532879288.db2.gz VRCJYVJBJJHBRK-ZDUSSCGKSA-N 1 0 381.318 2.408 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1OC ZINC000417444696 532879921 /nfs/dbraw/zinc/87/99/21/532879921.db2.gz DKSDNAHFYFRQPA-MNOVXSKESA-N 1 0 386.290 2.358 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000275726785 532882497 /nfs/dbraw/zinc/88/24/97/532882497.db2.gz OMPOMCKQHAZPEZ-GFCCVEGCSA-N 1 0 379.448 2.259 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000275747297 532882778 /nfs/dbraw/zinc/88/27/78/532882778.db2.gz KJGXHXODJJJFKH-OWCLPIDISA-N 1 0 394.313 2.440 20 0 GEADRO Cc1cccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 ZINC000419723032 532882841 /nfs/dbraw/zinc/88/28/41/532882841.db2.gz FNEZOGMSOSEPTR-UHFFFAOYSA-N 1 0 384.299 2.132 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CCC1 ZINC000275785889 532882919 /nfs/dbraw/zinc/88/29/19/532882919.db2.gz GVTATGNOZHMEPF-UHFFFAOYSA-N 1 0 389.681 2.037 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419873438 532883060 /nfs/dbraw/zinc/88/30/60/532883060.db2.gz MQYYZVQCEKIJPL-HIFPTAJRSA-N 1 0 394.313 2.281 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419886625 532883140 /nfs/dbraw/zinc/88/31/40/532883140.db2.gz DJRHBGIAVHXGIS-CABCVRRESA-N 1 0 382.302 2.184 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[NH2+]2)ccc1Br ZINC000419883033 532883191 /nfs/dbraw/zinc/88/31/91/532883191.db2.gz CYZUDRDLNCJBLH-ZBFHGGJFSA-N 1 0 394.313 2.289 20 0 GEADRO Cc1c(Br)cc(C(=O)NCCC[NH2+]C2CCCCC2)c(=O)n1C ZINC000419886834 532883258 /nfs/dbraw/zinc/88/32/58/532883258.db2.gz CYEDJYPRPCIWCI-UHFFFAOYSA-N 1 0 384.318 2.498 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1)C1CC1 ZINC000419870832 532883273 /nfs/dbraw/zinc/88/32/73/532883273.db2.gz SMRMOGGXZYHRPS-MRXNPFEDSA-N 1 0 394.313 2.009 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419880815 532883307 /nfs/dbraw/zinc/88/33/07/532883307.db2.gz HMUYOHMRBRQHPS-KBPBESRZSA-N 1 0 396.329 2.302 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420451531 532883763 /nfs/dbraw/zinc/88/37/63/532883763.db2.gz BJZITQVKIIIZBQ-WFASDCNBSA-N 1 0 386.901 2.279 20 0 GEADRO COc1cc(F)c(Br)cc1NC(=O)NCCOCC[NH+](C)C ZINC000417584870 532880183 /nfs/dbraw/zinc/88/01/83/532880183.db2.gz OKVRVHRDJXLNMI-UHFFFAOYSA-N 1 0 378.242 2.297 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417583639 532880293 /nfs/dbraw/zinc/88/02/93/532880293.db2.gz KZUHUCOZWQSMMY-OAHLLOKOSA-N 1 0 399.333 2.080 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000418413727 532880766 /nfs/dbraw/zinc/88/07/66/532880766.db2.gz ZBXRSJCKMZMBBE-AWEZNQCLSA-N 1 0 385.295 2.198 20 0 GEADRO CCOc1c(Cl)cc(CN(CCOC)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000290440647 532880844 /nfs/dbraw/zinc/88/08/44/532880844.db2.gz LUQDIDJPGCDDJL-CQSZACIVSA-N 1 0 391.917 2.383 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418447281 532881083 /nfs/dbraw/zinc/88/10/83/532881083.db2.gz QMWDBGPJDCADCT-GOEBONIOSA-N 1 0 386.334 2.273 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418457342 532881115 /nfs/dbraw/zinc/88/11/15/532881115.db2.gz DNMAZFVNIGIADB-GDBMZVCRSA-N 1 0 386.334 2.417 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418447280 532881273 /nfs/dbraw/zinc/88/12/73/532881273.db2.gz QMWDBGPJDCADCT-GDBMZVCRSA-N 1 0 386.334 2.273 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000420850205 532886571 /nfs/dbraw/zinc/88/65/71/532886571.db2.gz ZTFRHJMGMFAGKS-UHFFFAOYSA-N 1 0 387.933 2.416 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000276006574 532887165 /nfs/dbraw/zinc/88/71/65/532887165.db2.gz AUPOAWLAPRMRPJ-MRVPVSSYSA-N 1 0 378.217 2.122 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275836498 532884269 /nfs/dbraw/zinc/88/42/69/532884269.db2.gz MBDNZRQDBQEUQV-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO CO[C@@H](CC(C)C)CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000420647575 532884920 /nfs/dbraw/zinc/88/49/20/532884920.db2.gz AWDITQMSATVICG-INIZCTEOSA-N 1 0 378.604 2.329 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275881017 532885114 /nfs/dbraw/zinc/88/51/14/532885114.db2.gz QUMKFCRBRODJTD-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO CCOC[C@H](O)C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276140053 532889557 /nfs/dbraw/zinc/88/95/57/532889557.db2.gz NFDOPIRUPQZCPN-CQSZACIVSA-N 1 0 390.318 2.428 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421305509 532889942 /nfs/dbraw/zinc/88/99/42/532889942.db2.gz NEQGOJAUVVPZEB-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1Br ZINC000421305605 532889977 /nfs/dbraw/zinc/88/99/77/532889977.db2.gz 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Cc1cc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cnc1Cl ZINC000363356574 532898577 /nfs/dbraw/zinc/89/85/77/532898577.db2.gz NEYMHSQKKWRYHV-UHFFFAOYSA-N 1 0 387.933 2.166 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)cn1 ZINC000276619663 532898880 /nfs/dbraw/zinc/89/88/80/532898880.db2.gz DVVQHWHNVHWCFP-UHFFFAOYSA-N 1 0 376.320 2.341 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000363442552 532898973 /nfs/dbraw/zinc/89/89/73/532898973.db2.gz QIXLNRUGMSUTQO-XOKHGSTOSA-N 1 0 390.908 2.492 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000291250908 532899072 /nfs/dbraw/zinc/89/90/72/532899072.db2.gz VXRNOXLKDGLFEE-LLVKDONJSA-N 1 0 377.865 2.439 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)ncc1Br ZINC000291432546 532901706 /nfs/dbraw/zinc/90/17/06/532901706.db2.gz LPLLSRWRRBBPJM-NSHDSACASA-N 1 0 390.709 2.464 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccc(Br)cc1 ZINC000363733631 532900585 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2.206 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)N3CCC[N@H+](CC(C)(C)O)CC3)cc2s1 ZINC000366164847 532914870 /nfs/dbraw/zinc/91/48/70/532914870.db2.gz WXPQSTXCIOERRF-UHFFFAOYSA-N 1 0 383.539 2.072 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Br)cnc1Cl ZINC000366190001 532915159 /nfs/dbraw/zinc/91/51/59/532915159.db2.gz GSLBBANQYXKGHT-GFCCVEGCSA-N 1 0 388.693 2.481 20 0 GEADRO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000292402329 532916086 /nfs/dbraw/zinc/91/60/86/532916086.db2.gz LINWMDJYVSHCRT-KRWDZBQOSA-N 1 0 381.929 2.197 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1Br ZINC000365917314 532913071 /nfs/dbraw/zinc/91/30/71/532913071.db2.gz AKTJHVXAALDCMD-LLVKDONJSA-N 1 0 398.301 2.183 20 0 GEADRO CS(=O)(=O)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000292109299 532913302 /nfs/dbraw/zinc/91/33/02/532913302.db2.gz FRTPXFSLXIJAFI-LBPRGKRZSA-N 1 0 389.315 2.144 20 0 GEADRO Cc1nc(CN2CCCN(S(N)(=O)=O)CC2)oc1-c1ccc(Cl)cc1 ZINC000366102411 532914498 /nfs/dbraw/zinc/91/44/98/532914498.db2.gz NSLIWEBUDPEJTO-UHFFFAOYSA-N 1 0 384.889 2.015 20 0 GEADRO COc1cc(NC(=O)NC[C@@H]2CN(C3CC3)CCO2)ccc1Br ZINC000366591730 532919035 /nfs/dbraw/zinc/91/90/35/532919035.db2.gz LNXGFMUPCHIORS-CYBMUJFWSA-N 1 0 384.274 2.442 20 0 GEADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)CC[C@H]12 ZINC000366332958 532916420 /nfs/dbraw/zinc/91/64/20/532916420.db2.gz PKBXTKDVOWTBPO-QWHCGFSZSA-N 1 0 390.237 2.199 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000366340973 532916427 /nfs/dbraw/zinc/91/64/27/532916427.db2.gz XQKMNCBMAGVMEQ-INIZCTEOSA-N 1 0 394.313 2.122 20 0 GEADRO C[C@H](CCNC(=O)c1c(I)cnn1C)[NH+]1CCCCC1 ZINC000292838576 532919143 /nfs/dbraw/zinc/91/91/43/532919143.db2.gz PPMMTPZLVUUVRS-LLVKDONJSA-N 1 0 390.269 2.019 20 0 GEADRO C[C@@H](CCNC(=O)c1c(I)cnn1C)[NH+]1CCCCC1 ZINC000292838577 532919151 /nfs/dbraw/zinc/91/91/51/532919151.db2.gz PPMMTPZLVUUVRS-NSHDSACASA-N 1 0 390.269 2.019 20 0 GEADRO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000292697808 532917467 /nfs/dbraw/zinc/91/74/67/532917467.db2.gz CEKBPGSQCHBTDS-MRXNPFEDSA-N 1 0 394.313 2.403 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC23CC[NH2+]CC3)nnn1-c1cccc(Br)c1 ZINC000366471002 532917711 /nfs/dbraw/zinc/91/77/11/532917711.db2.gz JPOSIEJSOHCXCP-CQSZACIVSA-N 1 0 390.285 2.210 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366497500 532918134 /nfs/dbraw/zinc/91/81/34/532918134.db2.gz ZMODYPOOXKEPAF-WFASDCNBSA-N 1 0 386.901 2.279 20 0 GEADRO C[NH+]1CCC(CC(=O)NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000292827472 532918953 /nfs/dbraw/zinc/91/89/53/532918953.db2.gz JGGRBJXACWDSHI-HNNXBMFYSA-N 1 0 383.330 2.448 20 0 GEADRO Cn1ncc(C(=O)N(CC[NH+](C)C)c2ccccc2)c1I ZINC000293083608 532921895 /nfs/dbraw/zinc/92/18/95/532921895.db2.gz WLCPLXXXYSDSOT-UHFFFAOYSA-N 1 0 398.248 2.233 20 0 GEADRO CSc1ccc(CN(C)C(=O)CN2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000366663254 532920055 /nfs/dbraw/zinc/92/00/55/532920055.db2.gz OSOUSLVGTHZZJK-KRWDZBQOSA-N 1 0 379.595 2.490 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000292921201 532920151 /nfs/dbraw/zinc/92/01/51/532920151.db2.gz BOOXJFDMWBUNEP-UHFFFAOYSA-N 1 0 379.766 2.388 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000366690765 532920310 /nfs/dbraw/zinc/92/03/10/532920310.db2.gz QLHDUGWLJYVJQN-UHFFFAOYSA-N 1 0 375.332 2.358 20 0 GEADRO CSCC[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1nnc2ccccn21 ZINC000292950915 532920396 /nfs/dbraw/zinc/92/03/96/532920396.db2.gz OFNVLYJWCMKYTD-NEPJUHHUSA-N 1 0 378.420 2.053 20 0 GEADRO Cc1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000366852112 532921595 /nfs/dbraw/zinc/92/15/95/532921595.db2.gz GRHMQNRMHCEHCN-CYBMUJFWSA-N 1 0 381.318 2.051 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000293077587 532921646 /nfs/dbraw/zinc/92/16/46/532921646.db2.gz CRHWBVXMQLQERO-JTQLQIEISA-N 1 0 386.290 2.019 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293060996 532921648 /nfs/dbraw/zinc/92/16/48/532921648.db2.gz ILJZBENQQQNOHE-BXUZGUMPSA-N 1 0 388.249 2.465 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000293335698 532925489 /nfs/dbraw/zinc/92/54/89/532925489.db2.gz WJHHWAMRMIPKIM-QGZVFWFLSA-N 1 0 380.286 2.250 20 0 GEADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)ccc1Cl ZINC000367030923 532922379 /nfs/dbraw/zinc/92/23/79/532922379.db2.gz SRRHSZKWIUQVBD-CYBMUJFWSA-N 1 0 385.917 2.261 20 0 GEADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000367202627 532923525 /nfs/dbraw/zinc/92/35/25/532923525.db2.gz WQAUIMFWPBAYRR-HUUCEWRRSA-N 1 0 384.343 2.099 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000367245195 532923764 /nfs/dbraw/zinc/92/37/64/532923764.db2.gz WEAZHOGAYXPBKE-IUODEOHRSA-N 1 0 393.285 2.264 20 0 GEADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293456364 532927085 /nfs/dbraw/zinc/92/70/85/532927085.db2.gz PTJZQUCXQXAPOC-KCXAZCMYSA-N 1 0 392.297 2.012 20 0 GEADRO CCc1sc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000293492542 532927714 /nfs/dbraw/zinc/92/77/14/532927714.db2.gz TZFYRZKTZARKIU-NSHDSACASA-N 1 0 388.331 2.143 20 0 GEADRO C[C@@H](c1ncc(Br)cn1)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000367859553 532928095 /nfs/dbraw/zinc/92/80/95/532928095.db2.gz WWPRCMAQBCUYIW-LSDHHAIUSA-N 1 0 382.350 2.260 20 0 GEADRO C[C@@H](c1ncc(Br)cn1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367875384 532928354 /nfs/dbraw/zinc/92/83/54/532928354.db2.gz TXQNQUYIONGIQA-KGLIPLIRSA-N 1 0 382.350 2.400 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)c1c(I)cnn1C ZINC000293551036 532928461 /nfs/dbraw/zinc/92/84/61/532928461.db2.gz RIOPHMINTSCZLV-UHFFFAOYSA-N 1 0 392.285 2.219 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000293568032 532928719 /nfs/dbraw/zinc/92/87/19/532928719.db2.gz XVMJILZGQLGZKZ-QWHCGFSZSA-N 1 0 384.933 2.418 20 0 GEADRO O=C(NCCCCC[NH+]1CCCC1)C(=O)Nc1cncc(Br)c1 ZINC000293586991 532929052 /nfs/dbraw/zinc/92/90/52/532929052.db2.gz CVOFPSOUVOUYMW-UHFFFAOYSA-N 1 0 383.290 2.165 20 0 GEADRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000293597505 532929282 /nfs/dbraw/zinc/92/92/82/532929282.db2.gz DBEWPNUPALONSO-ZANVPECISA-N 1 0 377.304 2.172 20 0 GEADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cscc3Br)CC2)C1 ZINC000368037907 532929732 /nfs/dbraw/zinc/92/97/32/532929732.db2.gz NYEJXIHUFUMBSM-CYBMUJFWSA-N 1 0 393.372 2.252 20 0 GEADRO CSc1nc2ncnc(N(C)[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)c2s1 ZINC000367501821 532925678 /nfs/dbraw/zinc/92/56/78/532925678.db2.gz BSPJTIRDADJZIG-CYBMUJFWSA-N 1 0 378.571 2.413 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368360158 532932048 /nfs/dbraw/zinc/93/20/48/532932048.db2.gz GEXJECXHJLSOLT-RDBSUJKOSA-N 1 0 388.530 2.167 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N[C@H]1CC12CC[NH2+]CC2 ZINC000368194576 532930580 /nfs/dbraw/zinc/93/05/80/532930580.db2.gz RFJAXZONKSGLMY-YLSAJCSVSA-N 1 0 393.281 2.492 20 0 GEADRO C[C@](O)(C[N@@H+]1CC[C@H](NC(N)=O)C1)c1ccc(Br)cc1Cl ZINC000293725359 532930585 /nfs/dbraw/zinc/93/05/85/532930585.db2.gz GCZZHTTXCXRBPP-HZMBPMFUSA-N 1 0 376.682 2.053 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000293866349 532932606 /nfs/dbraw/zinc/93/26/06/532932606.db2.gz ZYDRAEPXJQNORF-UHFFFAOYSA-N 1 0 397.317 2.473 20 0 GEADRO O=S1(=O)CCC([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000368279403 532931109 /nfs/dbraw/zinc/93/11/09/532931109.db2.gz AFMHIZWLJICTMF-CYBMUJFWSA-N 1 0 387.343 2.442 20 0 GEADRO CCO[C@@H]1C[C@H](N[C@@H](C(N)=O)c2ccc(Br)cc2)[C@]12CCCO2 ZINC000368285916 532931259 /nfs/dbraw/zinc/93/12/59/532931259.db2.gz XTVFTCVGALRFGX-KLZNWCGWSA-N 1 0 383.286 2.292 20 0 GEADRO O=C1NC(=O)[C@H]2C[N@H+](Cc3ncc(-c4ccccc4Br)o3)CC[C@@H]12 ZINC000368340853 532931676 /nfs/dbraw/zinc/93/16/76/532931676.db2.gz MYWALGJDKHCBFC-PWSUYJOCSA-N 1 0 390.237 2.199 20 0 GEADRO OC[C@@H]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)O1 ZINC000294032496 532935020 /nfs/dbraw/zinc/93/50/20/532935020.db2.gz FNEDUDYNYFBAMP-IKGGRYGDSA-N 1 0 378.270 2.458 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)ncc3Br)[C@H]2C1 ZINC000293877013 532932904 /nfs/dbraw/zinc/93/29/04/532932904.db2.gz KQIHEOLHMHWLHF-QWHCGFSZSA-N 1 0 388.693 2.433 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cnn4cc(Br)cnc34)C2)C1 ZINC000293909272 532933225 /nfs/dbraw/zinc/93/32/25/532933225.db2.gz HRKQTZHNVUZKGT-MRXNPFEDSA-N 1 0 378.274 2.050 20 0 GEADRO O=C(CCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)Nc1ccccc1C(F)(F)F ZINC000368617587 532933526 /nfs/dbraw/zinc/93/35/26/532933526.db2.gz XQTZBJHHUIRXSQ-SMDDNHRTSA-N 1 0 376.400 2.153 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(F)c(F)cc1I ZINC000368717129 532933889 /nfs/dbraw/zinc/93/38/89/532933889.db2.gz AAYPFTJKCQEHDJ-QMMMGPOBSA-N 1 0 380.176 2.441 20 0 GEADRO CC(C)N1C(=S)N=NC1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000293974915 532933878 /nfs/dbraw/zinc/93/38/78/532933878.db2.gz BCQABRYBZAWMAI-OAHLLOKOSA-N 1 0 398.330 2.401 20 0 GEADRO Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000368758511 532934126 /nfs/dbraw/zinc/93/41/26/532934126.db2.gz JFSAKTCDOZFMOM-UHFFFAOYSA-N 1 0 378.274 2.116 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000368781800 532934330 /nfs/dbraw/zinc/93/43/30/532934330.db2.gz JWFVVXKUSIKNTF-IUODEOHRSA-N 1 0 395.301 2.266 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000294204895 532936871 /nfs/dbraw/zinc/93/68/71/532936871.db2.gz VHDDZLDGTOKTBG-UHFFFAOYSA-N 1 0 377.246 2.336 20 0 GEADRO CCC[NH+]1CCN(C2CCN(C(=O)c3cncc(Br)c3)CC2)CC1 ZINC000369158974 532937231 /nfs/dbraw/zinc/93/72/31/532937231.db2.gz WCENJXDHQXRGJH-UHFFFAOYSA-N 1 0 395.345 2.476 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000369171381 532937380 /nfs/dbraw/zinc/93/73/80/532937380.db2.gz IIBITKCWRWNSRA-UONOGXRCSA-N 1 0 381.318 2.128 20 0 GEADRO C[C@H]1CN(C(=O)c2cccnc2Br)CCN1C1CC[NH+](C)CC1 ZINC000369281184 532937864 /nfs/dbraw/zinc/93/78/64/532937864.db2.gz VLRWFRDOIMXVNY-ZDUSSCGKSA-N 1 0 381.318 2.085 20 0 GEADRO O=C(NCc1ccccc1Br)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368969565 532935873 /nfs/dbraw/zinc/93/58/73/532935873.db2.gz MTIPZTHYUZJLET-JKSUJKDBSA-N 1 0 382.302 2.190 20 0 GEADRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000368965027 532936022 /nfs/dbraw/zinc/93/60/22/532936022.db2.gz IYKNJJULXIQZOL-HSMVNMDESA-N 1 0 380.286 2.364 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(I)cc1 ZINC000294119827 532936136 /nfs/dbraw/zinc/93/61/36/532936136.db2.gz POOFWNDJJXWULM-UHFFFAOYSA-N 1 0 384.221 2.302 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1Cl ZINC000368977779 532936233 /nfs/dbraw/zinc/93/62/33/532936233.db2.gz KGSOKOAZSGYNGH-UHFFFAOYSA-N 1 0 385.917 2.123 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000369541968 532940001 /nfs/dbraw/zinc/94/00/01/532940001.db2.gz XFFBNINZJKQKLT-IAQYHMDHSA-N 1 0 384.479 2.099 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3F)C[C@H]21 ZINC000369323228 532938302 /nfs/dbraw/zinc/93/83/02/532938302.db2.gz WLVKLLMJDAHSPH-UFGOTCBOSA-N 1 0 377.279 2.336 20 0 GEADRO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000369329197 532938304 /nfs/dbraw/zinc/93/83/04/532938304.db2.gz IWXIWPYIQJKSEZ-RYUDHWBXSA-N 1 0 384.889 2.452 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1 ZINC000369321727 532938391 /nfs/dbraw/zinc/93/83/91/532938391.db2.gz MAFCPYXVLOPJDV-LMKPVCQUSA-N 1 0 388.331 2.158 20 0 GEADRO C[C@@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C[C@H](C)[N@H+]1C ZINC000294385156 532938557 /nfs/dbraw/zinc/93/85/57/532938557.db2.gz IUYCHLYJGRZMNV-ZOWXZIJZSA-N 1 0 380.286 2.105 20 0 GEADRO Cn1cnnc1SCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000369345415 532938605 /nfs/dbraw/zinc/93/86/05/532938605.db2.gz KWOUQRIUOKSJMO-BBRMVZONSA-N 1 0 379.917 2.370 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(Cl)c(Br)cc1F ZINC000294441436 532939205 /nfs/dbraw/zinc/93/92/05/532939205.db2.gz AZUKGOWOZGAZOL-VIFPVBQESA-N 1 0 378.673 2.217 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3c(F)cccc3Br)CC2)C1 ZINC000370154614 532942473 /nfs/dbraw/zinc/94/24/73/532942473.db2.gz AKZJZBKJTNPHMH-CYBMUJFWSA-N 1 0 384.293 2.440 20 0 GEADRO COC(=O)CC1(CS(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000370258024 532942806 /nfs/dbraw/zinc/94/28/06/532942806.db2.gz ZZYNPQNXMUEFJL-CZUORRHYSA-N 1 0 386.539 2.004 20 0 GEADRO O=C(NCCN1CCOCC1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000369737239 532940610 /nfs/dbraw/zinc/94/06/10/532940610.db2.gz GNDIWRFAFDNGRU-FUHWJXTLSA-N 1 0 379.298 2.101 20 0 GEADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000369905242 532941284 /nfs/dbraw/zinc/94/12/84/532941284.db2.gz XOTBMJSHOXUWLC-MRXNPFEDSA-N 1 0 376.444 2.447 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000369940230 532941392 /nfs/dbraw/zinc/94/13/92/532941392.db2.gz RITRUJVBGNFDCN-JZIBPQBNSA-N 1 0 379.298 2.311 20 0 GEADRO O=C(NC1CC[NH+](Cc2cccs2)CC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000370030234 532941839 /nfs/dbraw/zinc/94/18/39/532941839.db2.gz VSPTYUDVXHBPAV-OAHLLOKOSA-N 1 0 377.432 2.421 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000370672332 532944837 /nfs/dbraw/zinc/94/48/37/532944837.db2.gz DBHHSVWXJOJKPT-QWRGUYRKSA-N 1 0 377.279 2.127 20 0 GEADRO O=C(Nc1ccc(Br)cc1)[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000370710800 532944925 /nfs/dbraw/zinc/94/49/25/532944925.db2.gz ZVIVUBLTYQTKLD-SWLSCSKDSA-N 1 0 380.286 2.378 20 0 GEADRO Cn1nnnc1N1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000370720464 532944930 /nfs/dbraw/zinc/94/49/30/532944930.db2.gz OLZYIHVSXTUTTR-UHFFFAOYSA-N 1 0 385.697 2.385 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000370723289 532945072 /nfs/dbraw/zinc/94/50/72/532945072.db2.gz VAOGVFQAFJWWKC-BLLLJJGKSA-N 1 0 375.296 2.332 20 0 GEADRO Cc1nc(NC(=O)c2cccn2C2CC[NH2+]CC2)sc1SCC(N)=O ZINC000370803862 532945360 /nfs/dbraw/zinc/94/53/60/532945360.db2.gz UJOYFIBCTBASNK-UHFFFAOYSA-N 1 0 379.511 2.007 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000370846614 532945699 /nfs/dbraw/zinc/94/56/99/532945699.db2.gz NIBLOORFUNRNGJ-SRCQZFHVSA-N 1 0 388.917 2.221 20 0 GEADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc(Br)cn3)CCC[N@@H+]2C)cn1 ZINC000370906727 532946020 /nfs/dbraw/zinc/94/60/20/532946020.db2.gz XOEVCPRAGFXIKL-LRDDRELGSA-N 1 0 392.301 2.391 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH3+])c3cc(OC)ccc32)cs1 ZINC000370529094 532943945 /nfs/dbraw/zinc/94/39/45/532943945.db2.gz YNQDEJDSYKIXMN-CYBMUJFWSA-N 1 0 382.463 2.142 20 0 GEADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1Cl ZINC000371423253 532948101 /nfs/dbraw/zinc/94/81/01/532948101.db2.gz ITGMCCPMQBMBPR-INIZCTEOSA-N 1 0 385.961 2.297 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000371456073 532948184 /nfs/dbraw/zinc/94/81/84/532948184.db2.gz FEMUYJJYRAGYCE-DZGCQCFKSA-N 1 0 381.318 2.271 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC2)cc1 ZINC000371433058 532948255 /nfs/dbraw/zinc/94/82/55/532948255.db2.gz LZFLODRBSBWZIH-OAHLLOKOSA-N 1 0 380.432 2.051 20 0 GEADRO CCN(CC)c1ncc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)s1 ZINC000371089149 532946949 /nfs/dbraw/zinc/94/69/49/532946949.db2.gz POHKVYNQKGZIJI-UHFFFAOYSA-N 1 0 386.587 2.426 20 0 GEADRO COc1sc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)cc1Br ZINC000275702582 525096226 /nfs/dbraw/zinc/09/62/26/525096226.db2.gz XRIDFLFJZSARLO-OCCSQVGLSA-N 1 0 399.314 2.362 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736763576 598841157 /nfs/dbraw/zinc/84/11/57/598841157.db2.gz MPZZZIIBPFCCCT-AWEZNQCLSA-N 1 0 396.451 2.062 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000737523183 598851585 /nfs/dbraw/zinc/85/15/85/598851585.db2.gz HKJNHROECDMRJS-IAGOWNOFSA-N 1 0 380.456 2.035 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000737523216 598853308 /nfs/dbraw/zinc/85/33/08/598853308.db2.gz HSGQDDLPEPLDHJ-KRWDZBQOSA-N 1 0 382.472 2.138 20 0 GEADRO c1cn(CN2CC[C@@H](C[NH+]3CCCC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738405028 598854224 /nfs/dbraw/zinc/85/42/24/598854224.db2.gz KRMGTWRGSJXHGU-INIZCTEOSA-N 1 0 378.484 2.105 20 0 GEADRO O=C(C[N@@H+](CCc1cccc(F)c1)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737864620 598873551 /nfs/dbraw/zinc/87/35/51/598873551.db2.gz LXRMNSIDEAQKSS-UHFFFAOYSA-N 1 0 394.454 2.329 20 0 GEADRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736382924 598897179 /nfs/dbraw/zinc/89/71/79/598897179.db2.gz OHZQVDMABXBKOB-JKSUJKDBSA-N 1 0 392.891 2.474 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)c2cccc(COc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736854218 598933074 /nfs/dbraw/zinc/93/30/74/598933074.db2.gz BSARJTXGYPQBDZ-KRWDZBQOSA-N 1 0 392.463 2.270 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736530521 598951432 /nfs/dbraw/zinc/95/14/32/598951432.db2.gz JFVNDCMBFKSEOL-UHFFFAOYSA-N 1 0 394.545 2.164 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000737031009 598980392 /nfs/dbraw/zinc/98/03/92/598980392.db2.gz CQTFXOKOSYDZHV-UHFFFAOYSA-N 1 0 394.479 2.072 20 0 GEADRO CCC[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736471850 598989776 /nfs/dbraw/zinc/98/97/76/598989776.db2.gz XHXDESSFYYERHX-QXAKKESOSA-N 1 0 398.511 2.008 20 0 GEADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738043703 598999626 /nfs/dbraw/zinc/99/96/26/598999626.db2.gz DPDJKKCHOUMDPL-QGZVFWFLSA-N 1 0 377.452 2.046 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000736170742 599032372 /nfs/dbraw/zinc/03/23/72/599032372.db2.gz WMOCVTAIXVKPLX-ZDUSSCGKSA-N 1 0 398.442 2.151 20 0 GEADRO FC(F)Oc1ccc2ncc(-c3nn[nH]n3)c(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000822736358 599047592 /nfs/dbraw/zinc/04/75/92/599047592.db2.gz DMJIGVSCSYDUFF-GFCCVEGCSA-N 1 0 399.405 2.467 20 0 GEADRO C[C@H](O)C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000736145065 599048205 /nfs/dbraw/zinc/04/82/05/599048205.db2.gz AMSISNUWNSLLDR-ZDUSSCGKSA-N 1 0 386.481 2.140 20 0 GEADRO C[C@]1(c2ccccc2)CCC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736229158 599076827 /nfs/dbraw/zinc/07/68/27/599076827.db2.gz KZQDHQJITDIVGG-NQIIRXRSSA-N 1 0 376.464 2.447 20 0 GEADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736235955 599080003 /nfs/dbraw/zinc/08/00/03/599080003.db2.gz QKUKYCZIZJAPTB-BEFAXECRSA-N 1 0 376.464 2.361 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)C1 ZINC000821614589 599080875 /nfs/dbraw/zinc/08/08/75/599080875.db2.gz MKOPJSJSTIDFAD-QGZVFWFLSA-N 1 0 375.480 2.461 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000736565332 599080949 /nfs/dbraw/zinc/08/09/49/599080949.db2.gz JTLQDYLNOKEZBD-WMLDXEAASA-N 1 0 388.541 2.289 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000737546119 599081875 /nfs/dbraw/zinc/08/18/75/599081875.db2.gz CTMFQYFJHXTBDR-GXTWGEPZSA-N 1 0 383.456 2.114 20 0 GEADRO CCc1cccc2c(CC[NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)c[nH]c21 ZINC000736695576 599099795 /nfs/dbraw/zinc/09/97/95/599099795.db2.gz NULJGZDDJRQCCT-LJQANCHMSA-N 1 0 389.463 2.269 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000736616618 599103950 /nfs/dbraw/zinc/10/39/50/599103950.db2.gz UEDQBMSCNUODGF-PBHICJAKSA-N 1 0 387.488 2.125 20 0 GEADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000736771048 599105773 /nfs/dbraw/zinc/10/57/73/599105773.db2.gz HHAONYACVPDLGC-UHFFFAOYSA-N 1 0 397.458 2.409 20 0 GEADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738191156 599105832 /nfs/dbraw/zinc/10/58/32/599105832.db2.gz SHCGUWSUPINYNE-UHFFFAOYSA-N 1 0 378.436 2.423 20 0 GEADRO C[NH+]1CCC(NC(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736854692 599106594 /nfs/dbraw/zinc/10/65/94/599106594.db2.gz GVHKCEQWTNYZTL-UHFFFAOYSA-N 1 0 392.463 2.270 20 0 GEADRO Cc1ccccc1[C@@H](O)C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737424334 599131601 /nfs/dbraw/zinc/13/16/01/599131601.db2.gz XFUGGDRAHOJTCY-FQEVSTJZSA-N 1 0 378.480 2.421 20 0 GEADRO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CCOCC3)C2)c(-c2nn[nH]n2)c1C ZINC000737549469 599143526 /nfs/dbraw/zinc/14/35/26/599143526.db2.gz VQGCDEYOYNOUGB-CYBMUJFWSA-N 1 0 388.472 2.296 20 0 GEADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736205437 599162372 /nfs/dbraw/zinc/16/23/72/599162372.db2.gz WDCUHVFXUHYPIB-AWEZNQCLSA-N 1 0 377.452 2.217 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000737062780 599188307 /nfs/dbraw/zinc/18/83/07/599188307.db2.gz NEBPHXPQVPKHSG-HNNXBMFYSA-N 1 0 375.477 2.363 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821088630 599207422 /nfs/dbraw/zinc/20/74/22/599207422.db2.gz QEQHAFPKHSYBHV-APWZRJJASA-N 1 0 397.527 2.026 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000821180691 599208932 /nfs/dbraw/zinc/20/89/32/599208932.db2.gz FYAQGXBCFRMSPS-QAPCUYQASA-N 1 0 386.500 2.213 20 0 GEADRO C[S@](=O)CCC[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737173811 599212601 /nfs/dbraw/zinc/21/26/01/599212601.db2.gz QGMWMOMIGLCWLG-MHZLTWQESA-N 1 0 385.493 2.304 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000736170101 599220160 /nfs/dbraw/zinc/22/01/60/599220160.db2.gz RRVFUZYCRJJGMW-BEFAXECRSA-N 1 0 393.447 2.452 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000735735715 599225932 /nfs/dbraw/zinc/22/59/32/599225932.db2.gz UPBPLQVKESNQCY-FCEWJHQRSA-N 1 0 398.511 2.355 20 0 GEADRO CCc1ccc(C[NH+]2CCN(c3nnc(C)c(C)c3-c3nn[nH]n3)CC2)cc1 ZINC000736688735 599233270 /nfs/dbraw/zinc/23/32/70/599233270.db2.gz FFAWVQITJAHKTO-UHFFFAOYSA-N 1 0 378.484 2.158 20 0 GEADRO CC[C@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1CCOC ZINC000736408537 599240771 /nfs/dbraw/zinc/24/07/71/599240771.db2.gz KAGSBNKZPYEUHF-ZDUSSCGKSA-N 1 0 393.879 2.095 20 0 GEADRO CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1CCOC ZINC000736408536 599240817 /nfs/dbraw/zinc/24/08/17/599240817.db2.gz KAGSBNKZPYEUHF-CYBMUJFWSA-N 1 0 393.879 2.095 20 0 GEADRO CC[NH+](CC)[C@H](C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736533704 599242673 /nfs/dbraw/zinc/24/26/73/599242673.db2.gz IXHPFCDKNWLBIX-IBGZPJMESA-N 1 0 394.479 2.445 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736565644 599243186 /nfs/dbraw/zinc/24/31/86/599243186.db2.gz NEIDNWFWTZRNEH-IBGZPJMESA-N 1 0 397.527 2.074 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736248358 599251179 /nfs/dbraw/zinc/25/11/79/599251179.db2.gz IMAOOPQRQXCDEY-ARGWCVDVSA-N 1 0 397.483 2.102 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000821679563 607284474 /nfs/dbraw/zinc/28/44/74/607284474.db2.gz CNPDCUBVVPKJHC-UHFFFAOYSA-N 1 0 387.488 2.186 20 0 GEADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)o1 ZINC000822237248 607299953 /nfs/dbraw/zinc/29/99/53/607299953.db2.gz MAPQKZJFXCKHJU-UHFFFAOYSA-N 1 0 389.847 2.021 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](CNc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000823747697 607310198 /nfs/dbraw/zinc/31/01/98/607310198.db2.gz HYFMDEBRVRLGHH-MRXNPFEDSA-N 1 0 393.499 2.203 20 0 GEADRO CN(C)c1cccc(C[N@H+](C)[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000821590708 607312530 /nfs/dbraw/zinc/31/25/30/607312530.db2.gz BPMCVOAWCLKDLO-LJQANCHMSA-N 1 0 391.479 2.170 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3ccc(-c4nn[nH]n4)s3)cc2)C1 ZINC000822858567 607316460 /nfs/dbraw/zinc/31/64/60/607316460.db2.gz BJRREWZMSPNPKC-AWEZNQCLSA-N 1 0 397.508 2.238 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000821407289 599267400 /nfs/dbraw/zinc/26/74/00/599267400.db2.gz QUEHIKDLYYUSKC-GOOCMWNKSA-N 1 0 385.472 2.402 20 0 GEADRO CCOC(=O)CCCCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736592458 599268418 /nfs/dbraw/zinc/26/84/18/599268418.db2.gz QVDDQSVXCROJNL-UHFFFAOYSA-N 1 0 390.463 2.251 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736236393 599271406 /nfs/dbraw/zinc/27/14/06/599271406.db2.gz JCENJJMDHIITSD-DAYGRLMNSA-N 1 0 383.500 2.142 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000823303886 599292529 /nfs/dbraw/zinc/29/25/29/599292529.db2.gz XSBWRQSUSDGLBY-GFCCVEGCSA-N 1 0 395.389 2.491 20 0 GEADRO Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000822193453 607327532 /nfs/dbraw/zinc/32/75/32/607327532.db2.gz YHAFDNSEFPIZPX-UHFFFAOYSA-N 1 0 393.495 2.447 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1-c1nn[nH]n1 ZINC000821809733 607334695 /nfs/dbraw/zinc/33/46/95/607334695.db2.gz RHNULBNEXXXUAJ-AWEZNQCLSA-N 1 0 375.498 2.410 20 0 GEADRO CC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CCCCC1 ZINC000736556543 598233242 /nfs/dbraw/zinc/23/32/42/598233242.db2.gz XTEAYYISUWITFF-FQEVSTJZSA-N 1 0 397.483 2.246 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000735737125 598240994 /nfs/dbraw/zinc/24/09/94/598240994.db2.gz ZFCPDLWMLGGXFA-GOSISDBHSA-N 1 0 386.500 2.261 20 0 GEADRO CC(C)[N@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735873282 598249223 /nfs/dbraw/zinc/24/92/23/598249223.db2.gz FDDGLYYILBPLQT-UHFFFAOYSA-N 1 0 380.452 2.141 20 0 GEADRO Cc1ccc(C)n1C1CC[NH+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737332934 598249862 /nfs/dbraw/zinc/24/98/62/598249862.db2.gz YNINMLWSGGZLGX-UHFFFAOYSA-N 1 0 393.495 2.238 20 0 GEADRO COc1ccccc1OCC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737152062 598251845 /nfs/dbraw/zinc/25/18/45/598251845.db2.gz MAZVKTBQHBXYJO-UHFFFAOYSA-N 1 0 380.452 2.076 20 0 GEADRO C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nn[nH]n4)c3)cc2)C1 ZINC000736848985 598260212 /nfs/dbraw/zinc/26/02/12/598260212.db2.gz QJXLYNGZJAHRPN-MRXNPFEDSA-N 1 0 378.436 2.336 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736772039 598268822 /nfs/dbraw/zinc/26/88/22/598268822.db2.gz VCWLNVKDZAERRE-UHFFFAOYSA-N 1 0 379.468 2.270 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736756468 598273079 /nfs/dbraw/zinc/27/30/79/598273079.db2.gz IYUZTLVLNVHFFA-HNNXBMFYSA-N 1 0 396.451 2.205 20 0 GEADRO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738165735 598300995 /nfs/dbraw/zinc/30/09/95/598300995.db2.gz NNRIORZHTTXLEE-QGZVFWFLSA-N 1 0 381.415 2.402 20 0 GEADRO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000738165691 598301277 /nfs/dbraw/zinc/30/12/77/598301277.db2.gz LTSQISUXQFWVRB-QGZVFWFLSA-N 1 0 381.415 2.402 20 0 GEADRO C[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000736267143 598317090 /nfs/dbraw/zinc/31/70/90/598317090.db2.gz MBLZQGDKYZJSRQ-QWHCGFSZSA-N 1 0 375.452 2.068 20 0 GEADRO CC1(C)CC(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC(C)(C)[NH2+]1 ZINC000736209626 598317127 /nfs/dbraw/zinc/31/71/27/598317127.db2.gz BMVHKOMYYJKVRG-UHFFFAOYSA-N 1 0 375.452 2.114 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738408702 598321148 /nfs/dbraw/zinc/32/11/48/598321148.db2.gz ODDPJJBZCDTYQJ-VXGBXAGGSA-N 1 0 377.905 2.433 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736457974 598325993 /nfs/dbraw/zinc/32/59/93/598325993.db2.gz SWZPLKVQIHCHDF-UHFFFAOYSA-N 1 0 375.452 2.070 20 0 GEADRO CC(C)CC[N@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)C1CC1 ZINC000735811740 598334158 /nfs/dbraw/zinc/33/41/58/598334158.db2.gz SKMRJNYIZNEEQC-UHFFFAOYSA-N 1 0 397.483 2.099 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736859743 598346860 /nfs/dbraw/zinc/34/68/60/598346860.db2.gz IPNYGZAOZHYTNQ-SJORKVTESA-N 1 0 386.525 2.185 20 0 GEADRO Cc1csc(N2CC[N@@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)n1 ZINC000737451883 598364884 /nfs/dbraw/zinc/36/48/84/598364884.db2.gz DUVBCBAPYVIGHL-CQSZACIVSA-N 1 0 385.497 2.221 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736982080 598412954 /nfs/dbraw/zinc/41/29/54/598412954.db2.gz RKQNCMXGJCTCOA-UHFFFAOYSA-N 1 0 393.879 2.143 20 0 GEADRO C[NH+](C)CCCOc1ccc(NC(=O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736767388 598424203 /nfs/dbraw/zinc/42/42/03/598424203.db2.gz PKZUCEHKKHPYTQ-UHFFFAOYSA-N 1 0 396.451 2.215 20 0 GEADRO Cc1nn(C)c(Cl)c1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737511454 598426890 /nfs/dbraw/zinc/42/68/90/598426890.db2.gz LHLKNLPZNZHPED-UHFFFAOYSA-N 1 0 386.891 2.274 20 0 GEADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738184694 598450768 /nfs/dbraw/zinc/45/07/68/598450768.db2.gz UCEYLULAEMPHRF-UHFFFAOYSA-N 1 0 381.465 2.063 20 0 GEADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736276827 598457888 /nfs/dbraw/zinc/45/78/88/598457888.db2.gz QTUUJYQVZSRBIJ-UHFFFAOYSA-N 1 0 391.479 2.424 20 0 GEADRO O=C(c1ccc(-c2nn[nH]n2)cn1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000738261611 598464032 /nfs/dbraw/zinc/46/40/32/598464032.db2.gz QSJNFBJZNGCQQZ-UHFFFAOYSA-N 1 0 391.479 2.042 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736253872 598473146 /nfs/dbraw/zinc/47/31/46/598473146.db2.gz WTASNPIJYIEEIB-BETUJISGSA-N 1 0 375.452 2.068 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000735875227 598477451 /nfs/dbraw/zinc/47/74/51/598477451.db2.gz KUNCFVNERHVGAP-UHFFFAOYSA-N 1 0 383.500 2.414 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736001491 598477515 /nfs/dbraw/zinc/47/75/15/598477515.db2.gz MJGXWBYSXGMQGM-HNNXBMFYSA-N 1 0 383.500 2.415 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738035840 598478640 /nfs/dbraw/zinc/47/86/40/598478640.db2.gz NAGRJYNZXVNJEG-QZTJIDSGSA-N 1 0 381.484 2.168 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738035841 598478652 /nfs/dbraw/zinc/47/86/52/598478652.db2.gz NAGRJYNZXVNJEG-ROUUACIJSA-N 1 0 381.484 2.168 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000736638228 598483651 /nfs/dbraw/zinc/48/36/51/598483651.db2.gz YKNKFSANORWLEL-OAHLLOKOSA-N 1 0 385.472 2.358 20 0 GEADRO C[C@]1([NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCCc2ccccc21 ZINC000736222491 598486444 /nfs/dbraw/zinc/48/64/44/598486444.db2.gz HSPRZBMSQPZLCU-UWJYYQICSA-N 1 0 379.464 2.448 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000737742768 598502622 /nfs/dbraw/zinc/50/26/22/598502622.db2.gz GVGKACSPFWWPTA-GOSISDBHSA-N 1 0 391.479 2.176 20 0 GEADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000735830848 598515952 /nfs/dbraw/zinc/51/59/52/598515952.db2.gz JZRLLNSMZWTHGN-KRWDZBQOSA-N 1 0 385.516 2.376 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1CCC(c3ccccc3)CC1)C2 ZINC000738428564 598520596 /nfs/dbraw/zinc/52/05/96/598520596.db2.gz ODCCHQSDIBYLNU-ODIFPOPNSA-N 1 0 378.484 2.421 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(OC(F)F)c1 ZINC000736137969 598523280 /nfs/dbraw/zinc/52/32/80/598523280.db2.gz ZACHCMBRMPQHSR-QWRGUYRKSA-N 1 0 390.398 2.057 20 0 GEADRO Fc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(C(F)(F)F)c1 ZINC000737648209 598523762 /nfs/dbraw/zinc/52/37/62/598523762.db2.gz HADZDZPLBBMSOM-SECBINFHSA-N 1 0 396.352 2.053 20 0 GEADRO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC ZINC000736402192 598524298 /nfs/dbraw/zinc/52/42/98/598524298.db2.gz MFHWCSFUVNJZKK-HNNXBMFYSA-N 1 0 389.504 2.134 20 0 GEADRO O=C(CCN1CCC[C@H]1C[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737842924 598524717 /nfs/dbraw/zinc/52/47/17/598524717.db2.gz FKQDQYVMLKBSNM-SFHVURJKSA-N 1 0 383.500 2.146 20 0 GEADRO CC(C)(C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1Cl ZINC000735670096 598528634 /nfs/dbraw/zinc/52/86/34/598528634.db2.gz CNLQAIDRNRYCFM-GFCCVEGCSA-N 1 0 386.891 2.326 20 0 GEADRO CC(C)CCOc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735820853 598529369 /nfs/dbraw/zinc/52/93/69/598529369.db2.gz YBRLMYPWLSNGCZ-OAHLLOKOSA-N 1 0 396.499 2.320 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N2CCC([NH+](C)C)CC2)c1-c1nn[nH]n1 ZINC000737189407 598536225 /nfs/dbraw/zinc/53/62/25/598536225.db2.gz MBJCNQWVGKJNJX-UHFFFAOYSA-N 1 0 387.513 2.027 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736534787 598555777 /nfs/dbraw/zinc/55/57/77/598555777.db2.gz RCCLYTQPQRJYTE-AWEZNQCLSA-N 1 0 398.467 2.499 20 0 GEADRO O=C1NCCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738314694 598562485 /nfs/dbraw/zinc/56/24/85/598562485.db2.gz CVSAXCDPWZVICP-IBGZPJMESA-N 1 0 392.463 2.204 20 0 GEADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)COc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000736128631 598589162 /nfs/dbraw/zinc/58/91/62/598589162.db2.gz YGRIGLANJMZBKY-OAHLLOKOSA-N 1 0 394.479 2.491 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736267513 598595058 /nfs/dbraw/zinc/59/50/58/598595058.db2.gz SQLANFQYTPSNJW-MDZRGWNJSA-N 1 0 397.527 2.072 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736265643 598596018 /nfs/dbraw/zinc/59/60/18/598596018.db2.gz KPUFLFHIEZFICJ-GPMSIDNRSA-N 1 0 397.527 2.072 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736530309 598596585 /nfs/dbraw/zinc/59/65/85/598596585.db2.gz HRZHTXOQQICUDW-APWZRJJASA-N 1 0 399.543 2.462 20 0 GEADRO CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000736537517 598614196 /nfs/dbraw/zinc/61/41/96/598614196.db2.gz VRZYKKCDZDEWKD-UHFFFAOYSA-N 1 0 394.479 2.469 20 0 GEADRO CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736537053 598621376 /nfs/dbraw/zinc/62/13/76/598621376.db2.gz PUNVUWHFLVGNKM-LJQANCHMSA-N 1 0 392.463 2.373 20 0 GEADRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736480746 598621467 /nfs/dbraw/zinc/62/14/67/598621467.db2.gz NABWGLRFUBLYFT-AWEZNQCLSA-N 1 0 382.390 2.242 20 0 GEADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736829596 598621755 /nfs/dbraw/zinc/62/17/55/598621755.db2.gz HNBYOSNNHBWQHS-SFHVURJKSA-N 1 0 387.447 2.357 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)C1CC1 ZINC000736758914 598685420 /nfs/dbraw/zinc/68/54/20/598685420.db2.gz JZEDGFWDMRSAEK-KRWDZBQOSA-N 1 0 393.451 2.124 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[nH]n2)CC1 ZINC000736568841 598689875 /nfs/dbraw/zinc/68/98/75/598689875.db2.gz DMQCDYUBLAETGG-UHFFFAOYSA-N 1 0 387.513 2.029 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736402560 598710692 /nfs/dbraw/zinc/71/06/92/598710692.db2.gz NYCHPJJBKJDWFR-AWEZNQCLSA-N 1 0 392.529 2.046 20 0 GEADRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738314016 598714778 /nfs/dbraw/zinc/71/47/78/598714778.db2.gz OPSIUFVTJBUOJC-UHFFFAOYSA-N 1 0 376.420 2.033 20 0 GEADRO C[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@H+](C)Cc1ccccc1 ZINC000736016817 598716328 /nfs/dbraw/zinc/71/63/28/598716328.db2.gz DMWVNMKXNFNXQJ-CQSZACIVSA-N 1 0 397.458 2.326 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736763506 598722058 /nfs/dbraw/zinc/72/20/58/598722058.db2.gz LKEMSZVKLXDTQA-UHFFFAOYSA-N 1 0 386.500 2.216 20 0 GEADRO CC[N@@H+]1CCC[C@H](Nc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000736572604 598743946 /nfs/dbraw/zinc/74/39/46/598743946.db2.gz VXAQHRZVXZXVFD-NSHDSACASA-N 1 0 389.410 2.334 20 0 GEADRO c1cnc(N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)c(-c2nn[nH]n2)n1 ZINC000738445404 598756477 /nfs/dbraw/zinc/75/64/77/598756477.db2.gz IGGWGYXQZYYHPI-UHFFFAOYSA-N 1 0 394.527 2.385 20 0 GEADRO c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000738413080 598759850 /nfs/dbraw/zinc/75/98/50/598759850.db2.gz QUVUMONTBFSXNJ-INIZCTEOSA-N 1 0 394.483 2.053 20 0 GEADRO C[C@@H](C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736236018 598777286 /nfs/dbraw/zinc/77/72/86/598777286.db2.gz FMLCAOBDHMBXAG-XHSDSOJGSA-N 1 0 398.511 2.498 20 0 GEADRO COc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000737131588 598795845 /nfs/dbraw/zinc/79/58/45/598795845.db2.gz RRMIVKVKZKXVCV-UHFFFAOYSA-N 1 0 393.451 2.121 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736238209 598810108 /nfs/dbraw/zinc/81/01/08/598810108.db2.gz UCGUTPLARROBAX-HZSPNIEDSA-N 1 0 389.529 2.204 20 0 GEADRO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736981642 598820677 /nfs/dbraw/zinc/82/06/77/598820677.db2.gz ZICLZNLLYBWLIT-VXGBXAGGSA-N 1 0 378.864 2.206 20 0 GEADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736408481 599300708 /nfs/dbraw/zinc/30/07/08/599300708.db2.gz JIPYQGNOOXYKTA-NVXWUHKLSA-N 1 0 386.500 2.248 20 0 GEADRO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736408483 599300862 /nfs/dbraw/zinc/30/08/62/599300862.db2.gz JIPYQGNOOXYKTA-RDJZCZTQSA-N 1 0 386.500 2.248 20 0 GEADRO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736408479 599301132 /nfs/dbraw/zinc/30/11/32/599301132.db2.gz JIPYQGNOOXYKTA-DOTOQJQBSA-N 1 0 386.500 2.248 20 0 GEADRO CC[C@H]1CN(CCn2cccn2)CC[N@@H+]1[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736407709 599316657 /nfs/dbraw/zinc/31/66/57/599316657.db2.gz QBTPRPJDPMXWAN-LPHOPBHVSA-N 1 0 380.500 2.221 20 0 GEADRO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737509763 599317587 /nfs/dbraw/zinc/31/75/87/599317587.db2.gz JMIHJCUPCSQFGE-HNNXBMFYSA-N 1 0 380.500 2.096 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821088305 599329594 /nfs/dbraw/zinc/32/95/94/599329594.db2.gz KWECHOQSCKIFQS-INIZCTEOSA-N 1 0 380.500 2.351 20 0 GEADRO CC[NH+]1CCN(c2ccc(C(=O)N(C)c3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000736567974 599359169 /nfs/dbraw/zinc/35/91/69/599359169.db2.gz IGVHPTAZIKPLEL-UHFFFAOYSA-N 1 0 391.479 2.285 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431075 599368574 /nfs/dbraw/zinc/36/85/74/599368574.db2.gz AAROXXONCRQZBN-ZDUSSCGKSA-N 1 0 398.492 2.158 20 0 GEADRO Cc1cccc2c(CC[NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)c[nH]c21 ZINC000822332010 599381343 /nfs/dbraw/zinc/38/13/43/599381343.db2.gz KSSLANJCCHGSHH-SFHVURJKSA-N 1 0 375.436 2.015 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H](C)N2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821810365 599399763 /nfs/dbraw/zinc/39/97/63/599399763.db2.gz ZLVCQFVJMFLRCF-OAHLLOKOSA-N 1 0 378.480 2.412 20 0 GEADRO COc1ccc(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)cc1-c1nn[nH]n1 ZINC000821728328 599401701 /nfs/dbraw/zinc/40/17/01/599401701.db2.gz UNDQMEDCDRVKNI-LBPRGKRZSA-N 1 0 381.436 2.497 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccsc1 ZINC000821579846 599407162 /nfs/dbraw/zinc/40/71/62/599407162.db2.gz QAUSBQSUNYYNIL-OAHLLOKOSA-N 1 0 389.460 2.169 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1-c1nn[nH]n1 ZINC000821818496 599409197 /nfs/dbraw/zinc/40/91/97/599409197.db2.gz SYSJDFPNEODFCI-UHFFFAOYSA-N 1 0 385.424 2.191 20 0 GEADRO CCN(CC[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)C(=O)OC(C)(C)C ZINC000821213865 599425659 /nfs/dbraw/zinc/42/56/59/599425659.db2.gz FKDLFKQXHDJZJE-UHFFFAOYSA-N 1 0 376.461 2.222 20 0 GEADRO COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)C2)c1 ZINC000821872445 599426670 /nfs/dbraw/zinc/42/66/70/599426670.db2.gz MUQNBSPHTOXYBQ-OAHLLOKOSA-N 1 0 380.452 2.252 20 0 GEADRO Cc1nn(C)c2nc(Cl)c(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)cc12 ZINC000822496787 599452671 /nfs/dbraw/zinc/45/26/71/599452671.db2.gz USTFNIMEMYBNHK-UHFFFAOYSA-N 1 0 398.858 2.279 20 0 GEADRO Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000822761266 599457117 /nfs/dbraw/zinc/45/71/17/599457117.db2.gz GCLBZPMXHHGQMG-UHFFFAOYSA-N 1 0 393.382 2.414 20 0 GEADRO COc1ccc(O[C@@H](C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000821839284 599458707 /nfs/dbraw/zinc/45/87/07/599458707.db2.gz SVVNGZVESONIHI-ZDUSSCGKSA-N 1 0 379.424 2.080 20 0 GEADRO O=C(C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737876671 599477984 /nfs/dbraw/zinc/47/79/84/599477984.db2.gz SADWKRQQSXQGFB-KRWDZBQOSA-N 1 0 394.454 2.187 20 0 GEADRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736238737 599478762 /nfs/dbraw/zinc/47/87/62/599478762.db2.gz ZVVXCAAAYSSCPF-KSSFIOAISA-N 1 0 394.454 2.500 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738389417 599479450 /nfs/dbraw/zinc/47/94/50/599479450.db2.gz WVDRLZFHOJTANY-VQIMIIECSA-N 1 0 397.454 2.310 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000738433883 599483544 /nfs/dbraw/zinc/48/35/44/599483544.db2.gz XVTJZDNUQMMNFV-UHFFFAOYSA-N 1 0 388.479 2.269 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736226824 599486140 /nfs/dbraw/zinc/48/61/40/599486140.db2.gz YJFORRGSCXPPPA-HUUCEWRRSA-N 1 0 382.516 2.361 20 0 GEADRO CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)C2 ZINC000735652416 599488515 /nfs/dbraw/zinc/48/85/15/599488515.db2.gz KGOGYHWSADVNPD-AWEZNQCLSA-N 1 0 391.483 2.113 20 0 GEADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000738436464 599501133 /nfs/dbraw/zinc/50/11/33/599501133.db2.gz IWKNTWFVKDAOAB-UHFFFAOYSA-N 1 0 392.511 2.023 20 0 GEADRO CSCC[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737180023 599507484 /nfs/dbraw/zinc/50/74/84/599507484.db2.gz AMMQCGLLRFGAHI-CQSZACIVSA-N 1 0 391.545 2.082 20 0 GEADRO CCc1ccc(C[NH+]2CCN(c3nnc(C)c(C)c3-c3nn[nH]n3)CC2)s1 ZINC000736689837 599528284 /nfs/dbraw/zinc/52/82/84/599528284.db2.gz JNJIOZZNXAYORX-UHFFFAOYSA-N 1 0 384.513 2.220 20 0 GEADRO CC[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000820995900 599532048 /nfs/dbraw/zinc/53/20/48/599532048.db2.gz ZYUVKSNGRHNVNW-DGCLKSJQSA-N 1 0 384.406 2.167 20 0 GEADRO CC[C@H]1CN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000820994222 599532719 /nfs/dbraw/zinc/53/27/19/599532719.db2.gz FWIUEBXVDPRPPF-NEPJUHHUSA-N 1 0 384.406 2.167 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000821625352 599544533 /nfs/dbraw/zinc/54/45/33/599544533.db2.gz LRXGFFIQTKLCCE-AWEZNQCLSA-N 1 0 375.908 2.126 20 0 GEADRO CC[NH+](CC)CC1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000821190150 599564547 /nfs/dbraw/zinc/56/45/47/599564547.db2.gz ZNRJVHZOUSMFCT-UHFFFAOYSA-N 1 0 396.499 2.471 20 0 GEADRO c1cc(-c2nnc(CN3CCC[N@@H+](C4CCCC4)CC3)o2)ccc1-c1nn[nH]n1 ZINC000823738181 599576574 /nfs/dbraw/zinc/57/65/74/599576574.db2.gz PJXILTCXPSOKKC-UHFFFAOYSA-N 1 0 394.483 2.367 20 0 GEADRO c1cn(C2CC[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC2)cn1 ZINC000738445204 599580444 /nfs/dbraw/zinc/58/04/44/599580444.db2.gz DUGQGQWQWSAHLE-UHFFFAOYSA-N 1 0 375.440 2.221 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000823690023 599581286 /nfs/dbraw/zinc/58/12/86/599581286.db2.gz KMVYSPNLVFPKNY-PKOBYXMFSA-N 1 0 387.484 2.030 20 0 GEADRO O=C(CC[N@@H+](CCO)[C@@H]1CCc2ccccc21)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964016 599638963 /nfs/dbraw/zinc/63/89/63/599638963.db2.gz CHSUHKPFZDUEQH-LJQANCHMSA-N 1 0 392.463 2.177 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1C ZINC000821253115 599639080 /nfs/dbraw/zinc/63/90/80/599639080.db2.gz CTXBLRSLFDBHPF-BBRMVZONSA-N 1 0 382.472 2.221 20 0 GEADRO O=C1CCCCN1CC1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823530725 599639884 /nfs/dbraw/zinc/63/98/84/599639884.db2.gz QCSZANVIXTWRTK-UHFFFAOYSA-N 1 0 398.511 2.360 20 0 GEADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)C1 ZINC000820722861 599654892 /nfs/dbraw/zinc/65/48/92/599654892.db2.gz QFTVFUOYIOOVQJ-AWEZNQCLSA-N 1 0 393.451 2.235 20 0 GEADRO NC(=O)[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850205 599664834 /nfs/dbraw/zinc/66/48/34/599664834.db2.gz BBCWIWNRIPSORH-DBRPNBKGSA-N 1 0 382.390 2.351 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820359943 599665136 /nfs/dbraw/zinc/66/51/36/599665136.db2.gz VTRBWCBLUJGFBA-DNVCBOLYSA-N 1 0 393.495 2.400 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)([NH+](C)C)C1 ZINC000820698198 599671767 /nfs/dbraw/zinc/67/17/67/599671767.db2.gz QYMQOHNBBGWJHU-DJJJIMSYSA-N 1 0 389.479 2.316 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000819914627 599678513 /nfs/dbraw/zinc/67/85/13/599678513.db2.gz ZVNXNWKIAOSISA-UHFFFAOYSA-N 1 0 375.452 2.022 20 0 GEADRO Clc1nsc(N2CCC(OCC[NH+]3CCCC3)CC2)c1-c1nn[nH]n1 ZINC000822591588 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GEADRO COCc1cccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826164506 607482497 /nfs/dbraw/zinc/48/24/97/607482497.db2.gz DARRTVUVOLDMQR-UHFFFAOYSA-N 1 0 378.480 2.331 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000829765537 601026199 /nfs/dbraw/zinc/02/61/99/601026199.db2.gz YDRFAXHJPPIMOX-OAHLLOKOSA-N 1 0 380.464 2.404 20 0 GEADRO O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000823518941 607486675 /nfs/dbraw/zinc/48/66/75/607486675.db2.gz BZZMYMLEZLPGRH-LNLFQRSKSA-N 1 0 392.438 2.252 20 0 GEADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000822739891 607488071 /nfs/dbraw/zinc/48/80/71/607488071.db2.gz DOKMIUUAUFQMDV-UHFFFAOYSA-N 1 0 388.491 2.378 20 0 GEADRO COc1ccc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)cc1-c1nn[nH]n1 ZINC000826194790 607494777 /nfs/dbraw/zinc/49/47/77/607494777.db2.gz WKHSOMFMGPUMQP-UHFFFAOYSA-N 1 0 396.451 2.171 20 0 GEADRO COc1ccc(C[NH+]2CCC(N(C)c3ccc(C)nn3)CC2)cc1-c1nn[nH]n1 ZINC000826194819 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/nfs/dbraw/zinc/50/93/40/607509340.db2.gz CUOMFNMOYBHNAJ-LBPRGKRZSA-N 1 0 378.427 2.243 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826441651 607514578 /nfs/dbraw/zinc/51/45/78/607514578.db2.gz OAOADRSZNDMZMZ-MAUKXSAKSA-N 1 0 399.474 2.164 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824262126 607515007 /nfs/dbraw/zinc/51/50/07/607515007.db2.gz YBLMGSDYTDXREJ-KRWDZBQOSA-N 1 0 385.516 2.376 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1-c1nn[nH]n1 ZINC000826194718 607517226 /nfs/dbraw/zinc/51/72/26/607517226.db2.gz UGTFYGKGIIAFGG-HNNXBMFYSA-N 1 0 393.451 2.121 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000826182209 607522995 /nfs/dbraw/zinc/52/29/95/607522995.db2.gz DIPOUQXNJQFGRJ-AWEZNQCLSA-N 1 0 386.500 2.248 20 0 GEADRO COc1cc(NC2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)cc(OC)c1 ZINC000826180557 607523846 /nfs/dbraw/zinc/52/38/46/607523846.db2.gz MLSUFUPWGWABLH-UHFFFAOYSA-N 1 0 395.467 2.355 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCN(Cc2nc(C)c(C)o2)CC1 ZINC000826183046 607526744 /nfs/dbraw/zinc/52/67/44/607526744.db2.gz BUIAPUMUZATQHQ-UHFFFAOYSA-N 1 0 397.483 2.188 20 0 GEADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000830605014 602002953 /nfs/dbraw/zinc/00/29/53/602002953.db2.gz ZCBUHOCFYGPXDN-UHFFFAOYSA-N 1 0 390.406 2.361 20 0 GEADRO CC[C@](C)(CC(=O)[O-])[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000828652384 602220890 /nfs/dbraw/zinc/22/08/90/602220890.db2.gz KOXJMLVEYLTGIO-OAQYLSRUSA-N 1 0 375.513 2.309 20 0 GEADRO Cc1nccn1CCCC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826330639 607562884 /nfs/dbraw/zinc/56/28/84/607562884.db2.gz BTCHRCAPMWELHF-UHFFFAOYSA-N 1 0 380.500 2.364 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826202960 607568608 /nfs/dbraw/zinc/56/86/08/607568608.db2.gz UGYJJZNKHOEBEZ-HNAYVOBHSA-N 1 0 378.480 2.485 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CCCCC1 ZINC000825851689 607576653 /nfs/dbraw/zinc/57/66/53/607576653.db2.gz XILQGCLEDRXRAT-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000824937765 607579929 /nfs/dbraw/zinc/57/99/29/607579929.db2.gz QUQXVKRVPLQWIM-GFCCVEGCSA-N 1 0 398.920 2.063 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000826182959 607587926 /nfs/dbraw/zinc/58/79/26/607587926.db2.gz ZRVZOSFZBAWFGU-AWEZNQCLSA-N 1 0 386.500 2.250 20 0 GEADRO COc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC000826198004 607624570 /nfs/dbraw/zinc/62/45/70/607624570.db2.gz JHFNICQWDJFIEJ-INIZCTEOSA-N 1 0 399.499 2.035 20 0 GEADRO COc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC000826198005 607624683 /nfs/dbraw/zinc/62/46/83/607624683.db2.gz JHFNICQWDJFIEJ-MRXNPFEDSA-N 1 0 399.499 2.035 20 0 GEADRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825391148 607628807 /nfs/dbraw/zinc/62/88/07/607628807.db2.gz VRSNAYMDNLWDST-SFHVURJKSA-N 1 0 380.452 2.185 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000826183101 607629505 /nfs/dbraw/zinc/62/95/05/607629505.db2.gz DHJWUKCBESGQRN-HNNXBMFYSA-N 1 0 390.451 2.298 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1cccc(OC)c1 ZINC000825405476 607690306 /nfs/dbraw/zinc/69/03/06/607690306.db2.gz BMRSPGPZFCHYFL-QGZVFWFLSA-N 1 0 383.456 2.016 20 0 GEADRO Fc1cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)ccc1-n1cncn1 ZINC000826371953 607706785 /nfs/dbraw/zinc/70/67/85/607706785.db2.gz AJASCHRFUWHRCO-UHFFFAOYSA-N 1 0 376.399 2.365 20 0 GEADRO O=C(Cn1cc(Br)cn1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000444463702 649949005 /nfs/dbraw/zinc/94/90/05/649949005.db2.gz XWPGPGWHKKBWDA-UHFFFAOYSA-N 1 0 393.285 2.241 20 0 GEADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833550596 605045011 /nfs/dbraw/zinc/04/50/11/605045011.db2.gz XJRFZAFUJFHJGE-YQVWRLOYSA-N 1 0 388.512 2.012 20 0 GEADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000833622042 605135422 /nfs/dbraw/zinc/13/54/22/605135422.db2.gz DRSIYEWRRYVGQR-JKSUJKDBSA-N 1 0 394.541 2.075 20 0 GEADRO C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000833404575 605212424 /nfs/dbraw/zinc/21/24/24/605212424.db2.gz MIEOBVNBYTWQBK-MRXNPFEDSA-N 1 0 375.513 2.443 20 0 GEADRO O=C([O-])CCC[NH+]1CCC([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1 ZINC000833773487 605220847 /nfs/dbraw/zinc/22/08/47/605220847.db2.gz PATNCXGHUVGYHA-FQEVSTJZSA-N 1 0 393.503 2.118 20 0 GEADRO CC[C@@H](CSc1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000825126669 607753571 /nfs/dbraw/zinc/75/35/71/607753571.db2.gz JMYFSCLDIQTIKK-KBPBESRZSA-N 1 0 384.513 2.265 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000824047073 607756562 /nfs/dbraw/zinc/75/65/62/607756562.db2.gz WPWSWLKFYHYRCN-AWEZNQCLSA-N 1 0 384.484 2.332 20 0 GEADRO CC1CC[NH+](C2CCC(NC(=O)COc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824954537 607771121 /nfs/dbraw/zinc/77/11/21/607771121.db2.gz KXBIDBCOIPKPBF-UHFFFAOYSA-N 1 0 398.511 2.405 20 0 GEADRO O=C([O-])N1CCOC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000834121587 605830380 /nfs/dbraw/zinc/83/03/80/605830380.db2.gz YPKFYRPFVRZKBR-XUVXKRRUSA-N 1 0 388.512 2.435 20 0 GEADRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820650199 606068640 /nfs/dbraw/zinc/06/86/40/606068640.db2.gz RNKWPJHZLGCMOQ-JLTOFOAXSA-N 1 0 386.500 2.362 20 0 GEADRO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000821596352 606074266 /nfs/dbraw/zinc/07/42/66/606074266.db2.gz HXWMEACCQZNXIR-HXUWFJFHSA-N 1 0 393.495 2.144 20 0 GEADRO c1ccc2nc(NCC3([NH+]4CCCC4)CCOCC3)c(-c3nn[nH]n3)cc2c1 ZINC000823802241 606077036 /nfs/dbraw/zinc/07/70/36/606077036.db2.gz KKWDYYKXGDAQSB-UHFFFAOYSA-N 1 0 379.468 2.472 20 0 GEADRO C[C@@](CO)([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C1CCCCC1 ZINC000820280197 606084802 /nfs/dbraw/zinc/08/48/02/606084802.db2.gz AOZZKIKLJYYJQQ-SFHVURJKSA-N 1 0 392.891 2.380 20 0 GEADRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820643292 606112792 /nfs/dbraw/zinc/11/27/92/606112792.db2.gz TYWYLOWMJCBBIL-NIKGAXFTSA-N 1 0 376.464 2.346 20 0 GEADRO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000822991427 606116401 /nfs/dbraw/zinc/11/64/01/606116401.db2.gz CIVVLOHCHQYTSO-GASCZTMLSA-N 1 0 392.467 2.113 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000445711654 649964301 /nfs/dbraw/zinc/96/43/01/649964301.db2.gz JUNVUIBUNFLDAO-UONOGXRCSA-N 1 0 380.457 2.304 20 0 GEADRO C[C@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820380177 606161469 /nfs/dbraw/zinc/16/14/69/606161469.db2.gz MLZTZMREICONMN-LBPRGKRZSA-N 1 0 375.396 2.330 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)[C@@H](C)C1 ZINC000821254984 606184729 /nfs/dbraw/zinc/18/47/29/606184729.db2.gz RCGYQUSOLGREPR-BBRMVZONSA-N 1 0 382.472 2.079 20 0 GEADRO CCN(C[C@H]1CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1)CC(F)(F)F ZINC000821197876 606191364 /nfs/dbraw/zinc/19/13/64/606191364.db2.gz MVCAKXMJOMUYEI-CQSZACIVSA-N 1 0 398.433 2.452 20 0 GEADRO CN(CC[NH+](C)C)C(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000821584461 606200373 /nfs/dbraw/zinc/20/03/73/606200373.db2.gz FJOIDCNKVFCPHC-UHFFFAOYSA-N 1 0 380.452 2.079 20 0 GEADRO Cc1sc(NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1C ZINC000822557020 606201424 /nfs/dbraw/zinc/20/14/24/606201424.db2.gz FGNMKWJHPOVPSM-CQSZACIVSA-N 1 0 389.529 2.044 20 0 GEADRO Cc1ccc([C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)N2CCOCC2)cc1 ZINC000822230758 606212138 /nfs/dbraw/zinc/21/21/38/606212138.db2.gz PRDDFOXJOFSSPD-GOSISDBHSA-N 1 0 384.509 2.400 20 0 GEADRO CN1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1=O ZINC000821624060 606238116 /nfs/dbraw/zinc/23/81/16/606238116.db2.gz YNWPPRHEGMCOJT-LJQANCHMSA-N 1 0 392.463 2.156 20 0 GEADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC000820708993 606256715 /nfs/dbraw/zinc/25/67/15/606256715.db2.gz BMZHWGAXBFVMIW-AWEZNQCLSA-N 1 0 379.468 2.357 20 0 GEADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000822237147 606266772 /nfs/dbraw/zinc/26/67/72/606266772.db2.gz HKGBIIQWIMEWEA-UHFFFAOYSA-N 1 0 383.481 2.304 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000822535638 606283734 /nfs/dbraw/zinc/28/37/34/606283734.db2.gz ZBVLSRVIZQSJLC-CYBMUJFWSA-N 1 0 385.472 2.265 20 0 GEADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000823460157 606298785 /nfs/dbraw/zinc/29/87/85/606298785.db2.gz JGYKGWQYEIQSNP-NRFANRHFSA-N 1 0 391.479 2.323 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562380 606308842 /nfs/dbraw/zinc/30/88/42/606308842.db2.gz REKLLQXFDMRWSG-SFHVURJKSA-N 1 0 383.477 2.308 20 0 GEADRO C[N@H+](CCc1ccc(F)cc1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821604847 606316707 /nfs/dbraw/zinc/31/67/07/606316707.db2.gz JRXACCIFXGTTCL-OAHLLOKOSA-N 1 0 386.456 2.347 20 0 GEADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000821652637 606324608 /nfs/dbraw/zinc/32/46/08/606324608.db2.gz XGJXNTQKHSZKLU-PPSBMQLTSA-N 1 0 398.511 2.277 20 0 GEADRO COc1ccccc1C[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000821889488 606328251 /nfs/dbraw/zinc/32/82/51/606328251.db2.gz BXJUUJWXDDSOEB-HKUYNNGSSA-N 1 0 394.479 2.259 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000820 606334218 /nfs/dbraw/zinc/33/42/18/606334218.db2.gz JZRCDLDUCQCHQO-MSOLQXFVSA-N 1 0 383.500 2.144 20 0 GEADRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820643649 606335884 /nfs/dbraw/zinc/33/58/84/606335884.db2.gz YAMDTUNCTJFVDY-HNAYVOBHSA-N 1 0 376.464 2.361 20 0 GEADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)[N@H+](C)CC(C)(C)O ZINC000819876647 606374930 /nfs/dbraw/zinc/37/49/30/606374930.db2.gz ICQFTEUAJCYFBQ-NSHDSACASA-N 1 0 392.529 2.227 20 0 GEADRO Fc1cccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)N2CCOCC2)c1 ZINC000822787321 606413277 /nfs/dbraw/zinc/41/32/77/606413277.db2.gz YGZXNDCJNCMMSM-MRXNPFEDSA-N 1 0 388.472 2.230 20 0 GEADRO CCC1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820962606 606443085 /nfs/dbraw/zinc/44/30/85/606443085.db2.gz VMDXMUMRDAPXMR-UHFFFAOYSA-N 1 0 383.500 2.274 20 0 GEADRO O[C@@H](CNc1ccc(Cl)cc1-c1nn[nH]n1)C[N@@H+]1CCc2ccccc2C1 ZINC000823689180 606450858 /nfs/dbraw/zinc/45/08/58/606450858.db2.gz CKUFARJNYUTMSK-INIZCTEOSA-N 1 0 384.871 2.351 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000821701667 606452314 /nfs/dbraw/zinc/45/23/14/606452314.db2.gz YAYSYRRTUZSQEW-LPHOPBHVSA-N 1 0 375.473 2.390 20 0 GEADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCSCC(F)(F)F ZINC000445938241 649966889 /nfs/dbraw/zinc/96/68/89/649966889.db2.gz OFCRSRPJLSZPOP-UHFFFAOYSA-N 1 0 377.432 2.141 20 0 GEADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000823713710 606469748 /nfs/dbraw/zinc/46/97/48/606469748.db2.gz INHWBMXHMFMEDA-GOEBONIOSA-N 1 0 399.886 2.210 20 0 GEADRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821114593 606487260 /nfs/dbraw/zinc/48/72/60/606487260.db2.gz YRVAONYTABPMGC-CQSZACIVSA-N 1 0 394.426 2.206 20 0 GEADRO CC[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)s1)[N@@H+]1CCc2ccccc2C1 ZINC000820908558 606508100 /nfs/dbraw/zinc/50/81/00/606508100.db2.gz NWCVSFLKGVIACZ-HNNXBMFYSA-N 1 0 382.493 2.495 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000823087473 606522208 /nfs/dbraw/zinc/52/22/08/606522208.db2.gz QRVIQJIFNSYSNI-UHFFFAOYSA-N 1 0 376.464 2.144 20 0 GEADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000821277463 606526470 /nfs/dbraw/zinc/52/64/70/606526470.db2.gz UDOXGPVWHANTBP-UHFFFAOYSA-N 1 0 397.508 2.318 20 0 GEADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000822303924 606550893 /nfs/dbraw/zinc/55/08/93/606550893.db2.gz OFTPVDCORKXXAV-UHFFFAOYSA-N 1 0 378.480 2.308 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000821579821 606580681 /nfs/dbraw/zinc/58/06/81/606580681.db2.gz PHBQBEDHZHYOLQ-QGZVFWFLSA-N 1 0 384.871 2.482 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000822534879 606586325 /nfs/dbraw/zinc/58/63/25/606586325.db2.gz AVPQKSKDPYRVCV-UONOGXRCSA-N 1 0 383.456 2.161 20 0 GEADRO CCCCCC[N@H+](C)CC(=O)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000821056147 606594237 /nfs/dbraw/zinc/59/42/37/606594237.db2.gz MKRSZCPMTJFTSP-UHFFFAOYSA-N 1 0 399.543 2.464 20 0 GEADRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000821572110 606616310 /nfs/dbraw/zinc/61/63/10/606616310.db2.gz RUKWCEBHDUXNGY-AWEZNQCLSA-N 1 0 376.436 2.447 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850515 606622402 /nfs/dbraw/zinc/62/24/02/606622402.db2.gz IUQMOJGEENZCMM-SJORKVTESA-N 1 0 380.477 2.013 20 0 GEADRO C[C@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)C1([NH+]2CCOCC2)CCCC1 ZINC000820321672 606639282 /nfs/dbraw/zinc/63/92/82/606639282.db2.gz KPAOXUNXBTWBOX-QWGSZXSUSA-N 1 0 396.495 2.030 20 0 GEADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823155640 606663967 /nfs/dbraw/zinc/66/39/67/606663967.db2.gz VQAVUFJYZMHDMG-AWEZNQCLSA-N 1 0 384.390 2.149 20 0 GEADRO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000823455314 606678741 /nfs/dbraw/zinc/67/87/41/606678741.db2.gz ZXLUJCHJQCBNPN-ZDUSSCGKSA-N 1 0 376.411 2.235 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821002217 606685610 /nfs/dbraw/zinc/68/56/10/606685610.db2.gz VBSFOBUPEOPYKW-CHWSQXEVSA-N 1 0 376.411 2.234 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000821242802 606692198 /nfs/dbraw/zinc/69/21/98/606692198.db2.gz WBKFGILPUWACDB-CJNGLKHVSA-N 1 0 396.451 2.109 20 0 GEADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000821601337 606700395 /nfs/dbraw/zinc/70/03/95/606700395.db2.gz BVRHHSVBIHPGOZ-UHFFFAOYSA-N 1 0 397.418 2.031 20 0 GEADRO O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822992662 606717022 /nfs/dbraw/zinc/71/70/22/606717022.db2.gz LOFZNNFTHWPDEF-KRWDZBQOSA-N 1 0 380.427 2.112 20 0 GEADRO C[N@H+](CCOCC1CC1)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821603519 606720230 /nfs/dbraw/zinc/72/02/30/606720230.db2.gz BQCHLDCBDWIVQP-UHFFFAOYSA-N 1 0 378.864 2.207 20 0 GEADRO COCCOc1cc(C)ccc1C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821692842 606729456 /nfs/dbraw/zinc/72/94/56/606729456.db2.gz FOXYJRRPBYCDJH-UHFFFAOYSA-N 1 0 383.452 2.499 20 0 GEADRO COc1cc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cc(OC)c1 ZINC000821717654 606729857 /nfs/dbraw/zinc/72/98/57/606729857.db2.gz SCWCPGLEANYHQI-GOSISDBHSA-N 1 0 394.479 2.248 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000821241864 606731349 /nfs/dbraw/zinc/73/13/49/606731349.db2.gz PJPAHMWFWGELEJ-RNCFNFMXSA-N 1 0 375.839 2.381 20 0 GEADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000820760637 606750135 /nfs/dbraw/zinc/75/01/35/606750135.db2.gz RITVBOGCHZATFQ-HUUCEWRRSA-N 1 0 391.479 2.148 20 0 GEADRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821896871 606769484 /nfs/dbraw/zinc/76/94/84/606769484.db2.gz CXYNIYFHPDTJTC-BBRMVZONSA-N 1 0 378.436 2.331 20 0 GEADRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000821638967 606770582 /nfs/dbraw/zinc/77/05/82/606770582.db2.gz MAVVSHMPUFEKGX-KBXCAEBGSA-N 1 0 381.436 2.386 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC)C2)cc1-c1nn[nH]n1 ZINC000821809738 606773799 /nfs/dbraw/zinc/77/37/99/606773799.db2.gz RHXSXCFACFWLDC-HNNXBMFYSA-N 1 0 380.452 2.252 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000820033345 606814785 /nfs/dbraw/zinc/81/47/85/606814785.db2.gz UJORELJMIACVRH-LESCRADOSA-N 1 0 386.500 2.115 20 0 GEADRO C[NH+](C)C1(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)nc2)CCC1 ZINC000821581172 606834782 /nfs/dbraw/zinc/83/47/82/606834782.db2.gz DZBCFSPBTXPHNF-UHFFFAOYSA-N 1 0 379.424 2.477 20 0 GEADRO O=C(CC[NH+]1CC(c2nc3ccccc3[nH]2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822963886 606847075 /nfs/dbraw/zinc/84/70/75/606847075.db2.gz AJNFPQQMAYDZBN-UHFFFAOYSA-N 1 0 388.435 2.171 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820657173 606862605 /nfs/dbraw/zinc/86/26/05/606862605.db2.gz JZUHEHXNAYQIJJ-DNVCBOLYSA-N 1 0 391.479 2.329 20 0 GEADRO NC(=O)[C@H]([NH2+]CC1(Cc2ccccc2)CCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850593 606863461 /nfs/dbraw/zinc/86/34/61/606863461.db2.gz LCZHQLCIKKWFQD-GOSISDBHSA-N 1 0 376.464 2.396 20 0 GEADRO c1ccc2c(c1)nc(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)cc2-c1nn[nH]n1 ZINC000823792583 606877953 /nfs/dbraw/zinc/87/79/53/606877953.db2.gz YIWFTHYMWULNDS-ZWKOTPCHSA-N 1 0 379.468 2.470 20 0 GEADRO O=C(CC[NH+]1CCN(c2cccs2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969570 606882435 /nfs/dbraw/zinc/88/24/35/606882435.db2.gz RHKUOAHHBXCXQJ-UHFFFAOYSA-N 1 0 383.481 2.079 20 0 GEADRO CC[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1COc2ccccc2O1 ZINC000821207539 606883663 /nfs/dbraw/zinc/88/36/63/606883663.db2.gz PSGVIFZODGYPMS-DLBZAZTESA-N 1 0 381.436 2.062 20 0 GEADRO CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821221656 606890227 /nfs/dbraw/zinc/89/02/27/606890227.db2.gz LJNJCPOFYHZGDO-SFHVURJKSA-N 1 0 383.452 2.439 20 0 GEADRO C[C@H](c1cccnc1)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820570378 606902364 /nfs/dbraw/zinc/90/23/64/606902364.db2.gz IPZPCGYDRKSBGO-QGZVFWFLSA-N 1 0 393.495 2.409 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000821268166 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RLVKDAQRADRAEP-LSDHHAIUSA-N 1 0 377.880 2.095 20 0 GEADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000821609966 607150888 /nfs/dbraw/zinc/15/08/88/607150888.db2.gz SZNHVZLDKMRNJI-MRXNPFEDSA-N 1 0 378.436 2.220 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000823690695 607177942 /nfs/dbraw/zinc/17/79/42/607177942.db2.gz RWZCQRHBQLGBBP-MOPGFXCFSA-N 1 0 394.479 2.183 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821623718 607193193 /nfs/dbraw/zinc/19/31/93/607193193.db2.gz RDMDPTOJBGEFLN-IEBWSBKVSA-N 1 0 398.511 2.359 20 0 GEADRO C[C@H]1C[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)cn2C)C[N@@H+]1Cc1ccccc1 ZINC000824874842 607795202 /nfs/dbraw/zinc/79/52/02/607795202.db2.gz GQTBSEQBCVMRGB-RDJZCZTQSA-N 1 0 393.495 2.236 20 0 GEADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000825981758 607825096 /nfs/dbraw/zinc/82/50/96/607825096.db2.gz XQHSWZUVQXOZJW-UHFFFAOYSA-N 1 0 393.495 2.305 20 0 GEADRO CC[N@@H+]1CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[nH]n2)C[C@@H]1C ZINC000825460503 607825898 /nfs/dbraw/zinc/82/58/98/607825898.db2.gz ZCQCAQWEFJFMFR-NSHDSACASA-N 1 0 387.513 2.027 20 0 GEADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824899897 607828645 /nfs/dbraw/zinc/82/86/45/607828645.db2.gz QAUJJTKLPBDESF-CKEIUWERSA-N 1 0 375.498 2.293 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(c2ccccn2)CC1 ZINC000824045408 607830340 /nfs/dbraw/zinc/83/03/40/607830340.db2.gz MJGLNHAMRRTGHO-CQSZACIVSA-N 1 0 377.452 2.468 20 0 GEADRO O=C(CC[NH+]1CCC(c2ccccn2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407494 607831057 /nfs/dbraw/zinc/83/10/57/607831057.db2.gz OVRZUDZCMZBJCC-UHFFFAOYSA-N 1 0 377.452 2.470 20 0 GEADRO COc1ccc(C[C@](C)([NH3+])CNc2c3ccccc3nnc2-c2nn[nH]n2)cc1 ZINC000826190493 607838200 /nfs/dbraw/zinc/83/82/00/607838200.db2.gz CWWRIQFECXBWOO-FQEVSTJZSA-N 1 0 390.451 2.191 20 0 GEADRO CC[C@H]1CN(c2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000825213451 607841101 /nfs/dbraw/zinc/84/11/01/607841101.db2.gz YLCINMIOILTOBP-LBPRGKRZSA-N 1 0 384.406 2.433 20 0 GEADRO O=C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826410515 607859366 /nfs/dbraw/zinc/85/93/66/607859366.db2.gz PNZIZVYSDVKZQQ-CYBMUJFWSA-N 1 0 390.875 2.207 20 0 GEADRO O=C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826410601 607859370 /nfs/dbraw/zinc/85/93/70/607859370.db2.gz RWGZQTXUIRHFMV-CYBMUJFWSA-N 1 0 390.875 2.207 20 0 GEADRO CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825755195 607922432 /nfs/dbraw/zinc/92/24/32/607922432.db2.gz RVABKECFFQQTRQ-HNNXBMFYSA-N 1 0 395.467 2.249 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)cc1-c1nn[nH]n1 ZINC000826202510 607939137 /nfs/dbraw/zinc/93/91/37/607939137.db2.gz CFGUJXYRCANDNI-QGZVFWFLSA-N 1 0 378.436 2.463 20 0 GEADRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)Nc1ccccc1-c1nn[nH]n1 ZINC000826406967 607943076 /nfs/dbraw/zinc/94/30/76/607943076.db2.gz VSPNMPPPHTWNBN-QAPCUYQASA-N 1 0 396.426 2.142 20 0 GEADRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CN1Cc1ccccc1 ZINC000826479300 607978078 /nfs/dbraw/zinc/97/80/78/607978078.db2.gz VYKUCUWJEPAAII-OAHLLOKOSA-N 1 0 380.427 2.144 20 0 GEADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000825958398 607981068 /nfs/dbraw/zinc/98/10/68/607981068.db2.gz VETJCFSXZFBKAO-MOPGFXCFSA-N 1 0 391.479 2.454 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000824745382 608006689 /nfs/dbraw/zinc/00/66/89/608006689.db2.gz RHRZEPSJNQAYCX-UCLAIMLFSA-N 1 0 392.463 2.196 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@@H]1c1ccccc1 ZINC000826029545 608007079 /nfs/dbraw/zinc/00/70/79/608007079.db2.gz SXRXRZHMPHVPCO-RDJZCZTQSA-N 1 0 384.390 2.320 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000824754573 608011985 /nfs/dbraw/zinc/01/19/85/608011985.db2.gz IOVWNALPZZRLDT-GJZGRUSLSA-N 1 0 397.435 2.435 20 0 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C[C@H](C(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000824911066 608082441 /nfs/dbraw/zinc/08/24/41/608082441.db2.gz ZZYKPOWZXRKTTJ-BASYENTBSA-N 1 0 384.484 2.028 20 0 GEADRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826398626 608084322 /nfs/dbraw/zinc/08/43/22/608084322.db2.gz AITYKZNIYWRYSW-RBUKOAKNSA-N 1 0 396.495 2.174 20 0 GEADRO Cc1nccn1CCC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826330670 608104788 /nfs/dbraw/zinc/10/47/88/608104788.db2.gz CTDZPYYGJYZHOU-UHFFFAOYSA-N 1 0 394.483 2.112 20 0 GEADRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(-c2nn[nH]n2)cs1 ZINC000826453751 608108041 /nfs/dbraw/zinc/10/80/41/608108041.db2.gz YCBWQAFBHVVECI-UHFFFAOYSA-N 1 0 384.465 2.137 20 0 GEADRO COc1ccccc1OC[C@@H](C)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826220448 608113365 /nfs/dbraw/zinc/11/33/65/608113365.db2.gz OFAMJCXXTKWRMQ-AWEZNQCLSA-N 1 0 393.451 2.328 20 0 GEADRO COc1ccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1-c1nn[nH]n1 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ZINC000824746978 608314382 /nfs/dbraw/zinc/31/43/82/608314382.db2.gz XURYVJYGEVWDFJ-HNNXBMFYSA-N 1 0 386.500 2.214 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C[C@@H]1C ZINC000825444270 608314885 /nfs/dbraw/zinc/31/48/85/608314885.db2.gz LDSALYWDWGUANI-RLFYNMQTSA-N 1 0 386.500 2.211 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000826332625 608316061 /nfs/dbraw/zinc/31/60/61/608316061.db2.gz ZVUOJDSFFLFOAO-QGZVFWFLSA-N 1 0 392.511 2.279 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000826168410 608355001 /nfs/dbraw/zinc/35/50/01/608355001.db2.gz LULKCPIQVOFEFJ-OAHLLOKOSA-N 1 0 398.511 2.346 20 0 GEADRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000825284912 608355339 /nfs/dbraw/zinc/35/53/39/608355339.db2.gz CMTOBPRQTUNGHE-PBHICJAKSA-N 1 0 386.500 2.392 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000825854910 608356975 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396.476 2.040 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825443579 608421706 /nfs/dbraw/zinc/42/17/06/608421706.db2.gz DTXRWAPZFGHACQ-KDOFPFPSSA-N 1 0 381.484 2.006 20 0 GEADRO Fc1c(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cccc1-c1nn[nH]n1 ZINC000826371222 608430004 /nfs/dbraw/zinc/43/00/04/608430004.db2.gz XJMFOLOCXKFIDW-GOSISDBHSA-N 1 0 382.443 2.169 20 0 GEADRO COc1ccc([C@H](CCO)[NH2+]CCCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826188576 608431710 /nfs/dbraw/zinc/43/17/10/608431710.db2.gz AXDLATAAQBMLBE-IBGZPJMESA-N 1 0 383.452 2.358 20 0 GEADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000824004659 608432925 /nfs/dbraw/zinc/43/29/25/608432925.db2.gz BXDMWJSIDTYNRU-NSHDSACASA-N 1 0 397.439 2.324 20 0 GEADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824004978 608432934 /nfs/dbraw/zinc/43/29/34/608432934.db2.gz IOULOXYAXQDUQF-GFCCVEGCSA-N 1 0 379.424 2.114 20 0 GEADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000824005613 608432992 /nfs/dbraw/zinc/43/29/92/608432992.db2.gz ZJAGMSJEMHXPKO-SNVBAGLBSA-N 1 0 385.453 2.176 20 0 GEADRO O=C1CCCN1C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826480608 608442471 /nfs/dbraw/zinc/44/24/71/608442471.db2.gz JJVIZROUOFTVQN-LJQANCHMSA-N 1 0 392.463 2.199 20 0 GEADRO CCc1ccnc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825727887 608460021 /nfs/dbraw/zinc/46/00/21/608460021.db2.gz CRQKYWCEDQQGMT-UHFFFAOYSA-N 1 0 379.468 2.028 20 0 GEADRO NC(=O)COc1ccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826391573 608464852 /nfs/dbraw/zinc/46/48/52/608464852.db2.gz ROCIGKZJPHLYHP-UHFFFAOYSA-N 1 0 390.447 2.020 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000825621371 608477527 /nfs/dbraw/zinc/47/75/27/608477527.db2.gz RFTLLZBKYQDSKI-CABCVRRESA-N 1 0 385.472 2.356 20 0 GEADRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826192349 608482259 /nfs/dbraw/zinc/48/22/59/608482259.db2.gz KDPFGNFPIKILPQ-CYBMUJFWSA-N 1 0 398.442 2.324 20 0 GEADRO COc1cccc(COC[C@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826216804 608486507 /nfs/dbraw/zinc/48/65/07/608486507.db2.gz NXTAAFZOMBGDLB-RDTXWAMCSA-N 1 0 383.452 2.104 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562061 608488037 /nfs/dbraw/zinc/48/80/37/608488037.db2.gz CJTVQIQZAQAOHB-SNVBAGLBSA-N 1 0 386.485 2.305 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCc2ccccc2C1 ZINC000824529446 608491928 /nfs/dbraw/zinc/49/19/28/608491928.db2.gz GKEHSLZQENSQJC-HUUCEWRRSA-N 1 0 376.464 2.491 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000824531862 608493557 /nfs/dbraw/zinc/49/35/57/608493557.db2.gz RDRDRZOIIZAYEA-GHMZBOCLSA-N 1 0 392.423 2.126 20 0 GEADRO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000826290879 608493803 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GEADRO CC(C)([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000824166858 608549613 /nfs/dbraw/zinc/54/96/13/608549613.db2.gz LLILARBJQLNLBL-UHFFFAOYSA-N 1 0 386.406 2.286 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000826423349 608560793 /nfs/dbraw/zinc/56/07/93/608560793.db2.gz KYSDEMIJXAZEKL-UHFFFAOYSA-N 1 0 392.463 2.005 20 0 GEADRO CCCC[N@H+](CCCO)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825285104 608562237 /nfs/dbraw/zinc/56/22/37/608562237.db2.gz JQCDLLMHUZPZQE-GFCCVEGCSA-N 1 0 392.529 2.228 20 0 GEADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825492136 608579662 /nfs/dbraw/zinc/57/96/62/608579662.db2.gz DNUXKSMNLQBENF-KGLIPLIRSA-N 1 0 395.410 2.202 20 0 GEADRO CCC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000825254237 608591100 /nfs/dbraw/zinc/59/11/00/608591100.db2.gz RNJCKLXLCMYMEI-GOSISDBHSA-N 1 0 393.495 2.332 20 0 GEADRO Fc1cccc(N2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)c1-c1nn[nH]n1 ZINC000826377405 608596090 /nfs/dbraw/zinc/59/60/90/608596090.db2.gz QPXXIMZVGWDIGV-UHFFFAOYSA-N 1 0 378.415 2.204 20 0 GEADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825285084 608620013 /nfs/dbraw/zinc/62/00/13/608620013.db2.gz IYAUKQYEKJQVRN-GDBMZVCRSA-N 1 0 396.499 2.031 20 0 GEADRO Cc1ncsc1C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826331410 608660322 /nfs/dbraw/zinc/66/03/22/608660322.db2.gz GVSVTCVRRJHHQG-UHFFFAOYSA-N 1 0 383.481 2.482 20 0 GEADRO CCc1ccc(O)c(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825717965 608762592 /nfs/dbraw/zinc/76/25/92/608762592.db2.gz SAZGDDMAFRREBS-UHFFFAOYSA-N 1 0 394.479 2.339 20 0 GEADRO c1ccc(CN2CC[NH+](CCCCNc3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826521133 608776345 /nfs/dbraw/zinc/77/63/45/608776345.db2.gz AUXUWYRTGOEMDY-UHFFFAOYSA-N 1 0 392.511 2.272 20 0 GEADRO C/C(=C\c1ccccc1)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000823943087 608838215 /nfs/dbraw/zinc/83/82/15/608838215.db2.gz MRWVGNDQPPDJSA-STTHAQSSSA-N 1 0 376.468 2.271 20 0 GEADRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824098851 608842117 /nfs/dbraw/zinc/84/21/17/608842117.db2.gz BIRIEXYNEQFOBY-CQSZACIVSA-N 1 0 397.483 2.458 20 0 GEADRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825506819 608846889 /nfs/dbraw/zinc/84/68/89/608846889.db2.gz NMPWYJACVBWQAN-CQSZACIVSA-N 1 0 383.456 2.070 20 0 GEADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000446371391 649979140 /nfs/dbraw/zinc/97/91/40/649979140.db2.gz WHMWQOPFXUCSPA-NDGTYSDOSA-N 1 0 388.295 2.416 20 0 GEADRO COc1ccccc1CCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826219849 609138248 /nfs/dbraw/zinc/13/82/48/609138248.db2.gz SWWJDYLLCDKUIK-UHFFFAOYSA-N 1 0 379.468 2.025 20 0 GEADRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824598058 609150972 /nfs/dbraw/zinc/15/09/72/609150972.db2.gz ARKVAEWNVVEXEH-SNVBAGLBSA-N 1 0 390.369 2.365 20 0 GEADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824465788 609154035 /nfs/dbraw/zinc/15/40/35/609154035.db2.gz SQGIWSMBRQKJDX-CHWSQXEVSA-N 1 0 393.426 2.455 20 0 GEADRO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824402501 609168541 /nfs/dbraw/zinc/16/85/41/609168541.db2.gz WYKKQYRVLKXBQM-RDTXWAMCSA-N 1 0 384.484 2.157 20 0 GEADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825415898 609196051 /nfs/dbraw/zinc/19/60/51/609196051.db2.gz FMOTYTSIGYWLIM-GOSISDBHSA-N 1 0 380.452 2.381 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825452849 609203853 /nfs/dbraw/zinc/20/38/53/609203853.db2.gz RJDKHLFXKGTVPY-MRXNPFEDSA-N 1 0 395.467 2.027 20 0 GEADRO COc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc(OC)c1OC ZINC000826179432 609280371 /nfs/dbraw/zinc/28/03/71/609280371.db2.gz OBFDXPJCKYXGLN-UHFFFAOYSA-N 1 0 385.424 2.061 20 0 GEADRO C[C@@H](NC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824500120 609298270 /nfs/dbraw/zinc/29/82/70/609298270.db2.gz UDDWPPLITQZHSM-RHSMWYFYSA-N 1 0 383.500 2.319 20 0 GEADRO C[C@H](NC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824500121 609298619 /nfs/dbraw/zinc/29/86/19/609298619.db2.gz UDDWPPLITQZHSM-WMLDXEAASA-N 1 0 383.500 2.319 20 0 GEADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826211103 609325742 /nfs/dbraw/zinc/32/57/42/609325742.db2.gz PIPMPJBLUMADQQ-DIFFPNOSSA-N 1 0 387.415 2.407 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824611784 609327574 /nfs/dbraw/zinc/32/75/74/609327574.db2.gz DXUWSUMPBICBNN-GFCCVEGCSA-N 1 0 389.456 2.401 20 0 GEADRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825471648 609328251 /nfs/dbraw/zinc/32/82/51/609328251.db2.gz ZTXWOMZGEPYPPB-ZDUSSCGKSA-N 1 0 398.442 2.372 20 0 GEADRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826214114 609331007 /nfs/dbraw/zinc/33/10/07/609331007.db2.gz ALZYDWQWGHEAMG-LBPRGKRZSA-N 1 0 384.415 2.095 20 0 GEADRO Cn1cc(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361400 609341766 /nfs/dbraw/zinc/34/17/66/609341766.db2.gz VWFKPUGZPDYJFQ-FXAWDEMLSA-N 1 0 381.484 2.298 20 0 GEADRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824199966 609342235 /nfs/dbraw/zinc/34/22/35/609342235.db2.gz NEVXCCVNTSJPJW-SFHVURJKSA-N 1 0 383.500 2.400 20 0 GEADRO C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000824909132 609351039 /nfs/dbraw/zinc/35/10/39/609351039.db2.gz SSYYIBAUWBNAKS-FRRDWIJNSA-N 1 0 398.446 2.391 20 0 GEADRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826161232 609362625 /nfs/dbraw/zinc/36/26/25/609362625.db2.gz YGGUKRSWAFJXHQ-GFCCVEGCSA-N 1 0 396.289 2.114 20 0 GEADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(-c2nn[nH]n2)cc1F ZINC000826508958 609381923 /nfs/dbraw/zinc/38/19/23/609381923.db2.gz HQUNFPZPOUJPPA-IBGZPJMESA-N 1 0 396.470 2.252 20 0 GEADRO O=C1[C@H]([NH2+]CC2Cc3ccccc3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476901 609415909 /nfs/dbraw/zinc/41/59/09/609415909.db2.gz RHQIQCXSNSFADP-HXUWFJFHSA-N 1 0 388.475 2.367 20 0 GEADRO O=C(CC[NH2+][C@H](CO)c1ccc(Cl)cc1)Nc1sccc1-c1nn[nH]n1 ZINC000826407513 609428994 /nfs/dbraw/zinc/42/89/94/609428994.db2.gz PREZTENZHOOIIZ-CYBMUJFWSA-N 1 0 392.872 2.233 20 0 GEADRO CC(C)[C@@H](C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[NH+](C)C ZINC000446489035 649981984 /nfs/dbraw/zinc/98/19/84/649981984.db2.gz TXPIAKJXUQVLRF-CABCVRRESA-N 1 0 382.302 2.257 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824545945 609507430 /nfs/dbraw/zinc/50/74/30/609507430.db2.gz FNEIIGFMSXSKHT-KBXCAEBGSA-N 1 0 377.452 2.104 20 0 GEADRO CC(C)[C@H](C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[NH+](C)C ZINC000446489037 649982239 /nfs/dbraw/zinc/98/22/39/649982239.db2.gz TXPIAKJXUQVLRF-HUUCEWRRSA-N 1 0 382.302 2.257 20 0 GEADRO CCc1ncc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000825750034 609599610 /nfs/dbraw/zinc/59/96/10/609599610.db2.gz IWEMJZQZOJZVAW-OAHLLOKOSA-N 1 0 383.481 2.171 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000446536215 649982965 /nfs/dbraw/zinc/98/29/65/649982965.db2.gz UILPGOVLQVCUNS-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO C[NH+](C)CCn1cc(NS(=O)(=O)Cc2cc(Cl)ccc2F)ccc1=O ZINC000446791516 649989073 /nfs/dbraw/zinc/98/90/73/649989073.db2.gz UKOZXWKKUIWSDQ-UHFFFAOYSA-N 1 0 387.864 2.144 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000447252817 650004129 /nfs/dbraw/zinc/00/41/29/650004129.db2.gz UFAXRUNPHHSIRK-QWRGUYRKSA-N 1 0 377.304 2.124 20 0 GEADRO O=C(Cc1cccc(Cl)c1Cl)NCCCC[NH+]1CCN(CCO)CC1 ZINC000447557542 650007404 /nfs/dbraw/zinc/00/74/04/650007404.db2.gz KQHKTLNTOWYDMU-UHFFFAOYSA-N 1 0 388.339 2.042 20 0 GEADRO Cc1nc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)sc1Cc1cccc(Br)c1 ZINC000447434557 650006773 /nfs/dbraw/zinc/00/67/73/650006773.db2.gz HMRONOBSORAJDJ-CHWSQXEVSA-N 1 0 396.310 2.466 20 0 GEADRO CO[C@H](C[NH3+])CC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000447443344 650006878 /nfs/dbraw/zinc/00/68/78/650006878.db2.gz SPJAWIQOJLSSKX-CABZTGNLSA-N 1 0 383.246 2.040 20 0 GEADRO CO[C@H](C[NH3+])CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000447443348 650006903 /nfs/dbraw/zinc/00/69/03/650006903.db2.gz SPJAWIQOJLSSKX-SKDRFNHKSA-N 1 0 383.246 2.040 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000448823208 650022362 /nfs/dbraw/zinc/02/23/62/650022362.db2.gz NTOSENFQJAWARH-ZDUSSCGKSA-N 1 0 392.301 2.492 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC([NH+](C)C)CC1 ZINC000449013716 650029689 /nfs/dbraw/zinc/02/96/89/650029689.db2.gz MJAJQTHUSRJCHO-CYBMUJFWSA-N 1 0 398.345 2.488 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[N@H+](C)CC[C@H]1C ZINC000449015250 650029699 /nfs/dbraw/zinc/02/96/99/650029699.db2.gz DBFJTBZAXRRGGR-ZIAGYGMSSA-N 1 0 398.345 2.488 20 0 GEADRO Fc1cc(Br)cc(C[NH2+]CCN2CCN(c3ncccn3)CC2)c1 ZINC000449090125 650031526 /nfs/dbraw/zinc/03/15/26/650031526.db2.gz LXBITMWTHRWZIU-UHFFFAOYSA-N 1 0 394.292 2.290 20 0 GEADRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449089700 650031555 /nfs/dbraw/zinc/03/15/55/650031555.db2.gz DZINYMBRRLWOEH-OAHLLOKOSA-N 1 0 381.519 2.257 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449133455 650032895 /nfs/dbraw/zinc/03/28/95/650032895.db2.gz YNDWSRYLAIZWFI-UHFFFAOYSA-N 1 0 386.315 2.415 20 0 GEADRO COC[C@@H](O)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000449155528 650033525 /nfs/dbraw/zinc/03/35/25/650033525.db2.gz LUBJZHFMQMXWMT-LBPRGKRZSA-N 1 0 388.251 2.063 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449213657 650034327 /nfs/dbraw/zinc/03/43/27/650034327.db2.gz KSVJTHYNHMLGOD-GFCCVEGCSA-N 1 0 398.326 2.368 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000449218957 650034781 /nfs/dbraw/zinc/03/47/81/650034781.db2.gz BMPFPUIWLACPMB-GWCFXTLKSA-N 1 0 379.295 2.396 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000449308360 650038073 /nfs/dbraw/zinc/03/80/73/650038073.db2.gz WMSYGKHVUAQJNV-GXFFZTMASA-N 1 0 379.295 2.396 20 0 GEADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cc(Cl)sc1Cl ZINC000449301819 650038126 /nfs/dbraw/zinc/03/81/26/650038126.db2.gz IFZQZYNEYOIRCQ-UHFFFAOYSA-N 1 0 380.341 2.277 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000449319544 650038290 /nfs/dbraw/zinc/03/82/90/650038290.db2.gz KMGWPVPLJVFIOU-YRGRVCCFSA-N 1 0 391.331 2.191 20 0 GEADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449321568 650038316 /nfs/dbraw/zinc/03/83/16/650038316.db2.gz MSQFKMBQQMHVLJ-AWEZNQCLSA-N 1 0 379.295 2.492 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)CC[NH+]1CCCC1 ZINC000449325370 650038341 /nfs/dbraw/zinc/03/83/41/650038341.db2.gz MFGHXEFDRLIXAV-AWEZNQCLSA-N 1 0 398.345 2.490 20 0 GEADRO C[C@H](C[NH2+]CCn1cc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000449323054 650038399 /nfs/dbraw/zinc/03/83/99/650038399.db2.gz RLMZKLUTUWQGKU-GFCCVEGCSA-N 1 0 386.315 2.442 20 0 GEADRO Cc1cc(Br)cn2c(C[N@@H+](C)[C@H]3CCN4CCO[C@H]3C4)cnc12 ZINC000449367055 650039147 /nfs/dbraw/zinc/03/91/47/650039147.db2.gz YTZJIADTBBCFJI-HOTGVXAUSA-N 1 0 379.302 2.310 20 0 GEADRO CCc1oc(C[NH2+]CCn2cc(Br)ccc2=O)cc1C(=O)OC ZINC000449376888 650039395 /nfs/dbraw/zinc/03/93/95/650039395.db2.gz NBKCAQFVNWAHFI-UHFFFAOYSA-N 1 0 383.242 2.343 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449443087 650041003 /nfs/dbraw/zinc/04/10/03/650041003.db2.gz PERZGKTYSLWVBM-RNCFNFMXSA-N 1 0 379.295 2.493 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449443730 650041018 /nfs/dbraw/zinc/04/10/18/650041018.db2.gz VGVILGVRLPKSFX-LBPRGKRZSA-N 1 0 386.315 2.415 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000449442682 650041033 /nfs/dbraw/zinc/04/10/33/650041033.db2.gz LZTFHOUUXGSGDF-WDEREUQCSA-N 1 0 379.320 2.436 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000449440607 650041044 /nfs/dbraw/zinc/04/10/44/650041044.db2.gz CGMBCBNFHKJNLR-STQMWFEESA-N 1 0 375.922 2.283 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000449442679 650041056 /nfs/dbraw/zinc/04/10/56/650041056.db2.gz LZTFHOUUXGSGDF-GHMZBOCLSA-N 1 0 379.320 2.436 20 0 GEADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C[C@H]12 ZINC000449526101 650042236 /nfs/dbraw/zinc/04/22/36/650042236.db2.gz YUBLCLSCICQVAK-OKILXGFUSA-N 1 0 375.222 2.414 20 0 GEADRO C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449686970 650045658 /nfs/dbraw/zinc/04/56/58/650045658.db2.gz ZIUFWOHBPOGCQZ-WCQYABFASA-N 1 0 375.282 2.196 20 0 GEADRO CN(C)c1nccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)n1 ZINC000449605346 650044131 /nfs/dbraw/zinc/04/41/31/650044131.db2.gz ZCZNEMXXVZSFBR-LBPRGKRZSA-N 1 0 397.292 2.385 20 0 GEADRO CCn1nnc(C)c1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC ZINC000449679939 650044867 /nfs/dbraw/zinc/04/48/67/650044867.db2.gz JBWBZTAOTCRNSV-CYBMUJFWSA-N 1 0 397.317 2.318 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000449710973 650046924 /nfs/dbraw/zinc/04/69/24/650046924.db2.gz CGBFCLPCDGDFPD-UPJWGTAASA-N 1 0 380.286 2.046 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000449714749 650047182 /nfs/dbraw/zinc/04/71/82/650047182.db2.gz HTHRUZMNKMOCDV-UXIGCNINSA-N 1 0 380.286 2.046 20 0 GEADRO [NH3+]CC[C@H](NC(=O)CCC(=O)N1CCSc2ccccc21)C(F)(F)F ZINC000449725054 650047973 /nfs/dbraw/zinc/04/79/73/650047973.db2.gz ICGZVGXIBTXIRR-ZDUSSCGKSA-N 1 0 375.416 2.301 20 0 GEADRO Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000449726490 650047987 /nfs/dbraw/zinc/04/79/87/650047987.db2.gz XMNIDCMKKJNMOG-WCQYABFASA-N 1 0 377.432 2.451 20 0 GEADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449741930 650048481 /nfs/dbraw/zinc/04/84/81/650048481.db2.gz MMHLQSPLCMQURM-SKDRFNHKSA-N 1 0 376.625 2.379 20 0 GEADRO C[C@H]1C[N@H+](CCO)CCN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449788238 650050088 /nfs/dbraw/zinc/05/00/88/650050088.db2.gz XJEGWDYAEBQOPY-AWEZNQCLSA-N 1 0 379.302 2.133 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc(I)cn2)C1 ZINC000450224086 650062436 /nfs/dbraw/zinc/06/24/36/650062436.db2.gz RUEJJCYWXRUGCG-CYBMUJFWSA-N 1 0 375.254 2.455 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCN(c3ccc(I)cn3)CC2)CCO1 ZINC000450262226 650063205 /nfs/dbraw/zinc/06/32/05/650063205.db2.gz RJVRJNWKIXFRAT-GFCCVEGCSA-N 1 0 387.265 2.376 20 0 GEADRO Cn1ncc(Br)c1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000450346999 650064219 /nfs/dbraw/zinc/06/42/19/650064219.db2.gz GRWLBCSEOAFHPO-UHFFFAOYSA-N 1 0 394.273 2.303 20 0 GEADRO Cc1ccc(Br)cc1CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000450653767 650068723 /nfs/dbraw/zinc/06/87/23/650068723.db2.gz PWTYIMLBJMLQSP-UHFFFAOYSA-N 1 0 383.330 2.417 20 0 GEADRO C[NH+](C)CCn1cc(NS(=O)(=O)Cc2c(F)cccc2Cl)ccc1=O ZINC000450991395 650078682 /nfs/dbraw/zinc/07/86/82/650078682.db2.gz WIWMWIRBUYHFDT-UHFFFAOYSA-N 1 0 387.864 2.144 20 0 GEADRO CCOC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000451123545 650089014 /nfs/dbraw/zinc/08/90/14/650089014.db2.gz AJZDLZGVKYENGI-CQSZACIVSA-N 1 0 378.485 2.331 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C[C@H]1[NH+](C)C ZINC000451313313 650103048 /nfs/dbraw/zinc/10/30/48/650103048.db2.gz VPBHKMHJRKCFRX-QMTHXVAHSA-N 1 0 379.295 2.300 20 0 GEADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000451319179 650103536 /nfs/dbraw/zinc/10/35/36/650103536.db2.gz NAUKTKGCIOXADU-CYBMUJFWSA-N 1 0 388.452 2.007 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000451341195 650105207 /nfs/dbraw/zinc/10/52/07/650105207.db2.gz LRPOEFIZOGNMSB-ZJIFWQFVSA-N 1 0 380.501 2.325 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C2(CCCC2)CN1C[C@@H](O)C(F)(F)F ZINC000451349918 650105979 /nfs/dbraw/zinc/10/59/79/650105979.db2.gz ZVLMUSKSYGHFTC-UTUOFQBUSA-N 1 0 378.357 2.152 20 0 GEADRO C[N@H+]1CC=C(CNS(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451368103 650107905 /nfs/dbraw/zinc/10/79/05/650107905.db2.gz OGFTVOUCTQAKRF-UHFFFAOYSA-N 1 0 377.279 2.270 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)C[C@H]2CCCCC2(F)F)CC1 ZINC000451418229 650112288 /nfs/dbraw/zinc/11/22/88/650112288.db2.gz LWHAUQDWOKNZDI-OAHLLOKOSA-N 1 0 381.533 2.147 20 0 GEADRO CN1CCN(C(=O)CC[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000451560907 650125271 /nfs/dbraw/zinc/12/52/71/650125271.db2.gz BDPUJLXSJSSJOZ-INIZCTEOSA-N 1 0 380.330 2.403 20 0 GEADRO Cc1cc(NC(=O)[C@@H](C)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1Br ZINC000451650833 650128701 /nfs/dbraw/zinc/12/87/01/650128701.db2.gz FOZAUHCJJFTVPU-QLFBSQMISA-N 1 0 398.345 2.471 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451664585 650130781 /nfs/dbraw/zinc/13/07/81/650130781.db2.gz OFIKBTUUHHZMLP-BETUJISGSA-N 1 0 385.302 2.123 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451665999 650131187 /nfs/dbraw/zinc/13/11/87/650131187.db2.gz OHPJDTCQHIHTPO-MJBXVCDLSA-N 1 0 384.318 2.163 20 0 GEADRO C[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H](C)[N@H+]1CCO ZINC000451670756 650131629 /nfs/dbraw/zinc/13/16/29/650131629.db2.gz XNYQMDGDAJGLIN-GUTXKFCHSA-N 1 0 377.312 2.120 20 0 GEADRO CO[C@@H]1C[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)C[C@H]1O ZINC000451757414 650139471 /nfs/dbraw/zinc/13/94/71/650139471.db2.gz IIXPFJCTWOHOCN-HUUCEWRRSA-N 1 0 385.302 2.476 20 0 GEADRO COC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000451935537 650155183 /nfs/dbraw/zinc/15/51/83/650155183.db2.gz WHQUKWWZGXXWKU-KSSFIOAISA-N 1 0 399.329 2.127 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000452101408 650173684 /nfs/dbraw/zinc/17/36/84/650173684.db2.gz GLRFYQJCDPASDL-LBPRGKRZSA-N 1 0 381.420 2.126 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(OC)cc2Cl)CC1 ZINC000452044475 650168494 /nfs/dbraw/zinc/16/84/94/650168494.db2.gz DODUAHGJGDAWGM-UHFFFAOYSA-N 1 0 389.949 2.043 20 0 GEADRO C[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C1CCN(CCC(F)(F)F)CC1 ZINC000452125148 650175273 /nfs/dbraw/zinc/17/52/73/650175273.db2.gz YJVYLLKHGPVZLP-LBPRGKRZSA-N 1 0 375.357 2.498 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000452343296 650180432 /nfs/dbraw/zinc/18/04/32/650180432.db2.gz KJTHCRPBABEDIP-HNNXBMFYSA-N 1 0 384.318 2.092 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452368725 650182304 /nfs/dbraw/zinc/18/23/04/650182304.db2.gz RBMHKVORGSGTAA-NSHDSACASA-N 1 0 391.331 2.404 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)C1(c2ccc(Br)cc2)CC1 ZINC000452371507 650182478 /nfs/dbraw/zinc/18/24/78/650182478.db2.gz ALDIDKAHLUHMGJ-MRXNPFEDSA-N 1 0 381.314 2.444 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000452378807 650183076 /nfs/dbraw/zinc/18/30/76/650183076.db2.gz XZDYJRBDRSAGEK-GJZGRUSLSA-N 1 0 399.329 2.488 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Br)c(F)cc1F ZINC000452377801 650183084 /nfs/dbraw/zinc/18/30/84/650183084.db2.gz NRVYHAQUUHNKGM-SNVBAGLBSA-N 1 0 377.229 2.304 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452384876 650183394 /nfs/dbraw/zinc/18/33/94/650183394.db2.gz SEXQTTNPGJZXEJ-ZDUSSCGKSA-N 1 0 385.302 2.343 20 0 GEADRO COC(=O)c1cn(CC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)nn1 ZINC000453207946 650207013 /nfs/dbraw/zinc/20/70/13/650207013.db2.gz IMLDDEHIFFPYAX-HNNXBMFYSA-N 1 0 393.285 2.438 20 0 GEADRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453268672 650207351 /nfs/dbraw/zinc/20/73/51/650207351.db2.gz ZWJHEFKPGHZJFC-LKFCYVNXSA-N 1 0 385.313 2.079 20 0 GEADRO CSC[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000453277931 650207640 /nfs/dbraw/zinc/20/76/40/650207640.db2.gz ONCPQCZXZFCPME-KBPBESRZSA-N 1 0 383.457 2.249 20 0 GEADRO CC[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 ZINC000453283467 650207973 /nfs/dbraw/zinc/20/79/73/650207973.db2.gz VIQFVFZGRPAHKX-KBPBESRZSA-N 1 0 380.279 2.179 20 0 GEADRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453321554 650208295 /nfs/dbraw/zinc/20/82/95/650208295.db2.gz HMQPXVBMGJLZDG-ZWKOPEQDSA-N 1 0 377.304 2.315 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453350803 650208534 /nfs/dbraw/zinc/20/85/34/650208534.db2.gz LZVBZHOYXLLHLW-QKCSRTOESA-N 1 0 391.331 2.298 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453647287 650212041 /nfs/dbraw/zinc/21/20/41/650212041.db2.gz AVKWKMOMYUXHBP-MNOVXSKESA-N 1 0 386.265 2.434 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453399098 650208781 /nfs/dbraw/zinc/20/87/81/650208781.db2.gz ASMIRCAPAJUMSL-SCVCMEIPSA-N 1 0 377.304 2.315 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000453581329 650209397 /nfs/dbraw/zinc/20/93/97/650209397.db2.gz LOIRKDIABQAPPT-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453647288 650212102 /nfs/dbraw/zinc/21/21/02/650212102.db2.gz AVKWKMOMYUXHBP-QWRGUYRKSA-N 1 0 386.265 2.434 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453643935 650211776 /nfs/dbraw/zinc/21/17/76/650211776.db2.gz LVHXJQUOGQNKBX-UHFFFAOYSA-N 1 0 376.682 2.499 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000453652323 650212669 /nfs/dbraw/zinc/21/26/69/650212669.db2.gz OODICLXPVFHIDG-JTQLQIEISA-N 1 0 384.249 2.188 20 0 GEADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453704490 650218120 /nfs/dbraw/zinc/21/81/20/650218120.db2.gz DYJWSVBJNUBFJL-JTQLQIEISA-N 1 0 388.693 2.451 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000454068685 650250673 /nfs/dbraw/zinc/25/06/73/650250673.db2.gz LROKXXGVMBGNIC-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000454576680 650271202 /nfs/dbraw/zinc/27/12/02/650271202.db2.gz LBEAPGWAOPVBRG-ZDUSSCGKSA-N 1 0 384.322 2.246 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCn1cc(Br)cn1 ZINC000454939152 650284239 /nfs/dbraw/zinc/28/42/39/650284239.db2.gz AAKRAUCUSSIXIA-HNNXBMFYSA-N 1 0 386.338 2.455 20 0 GEADRO COc1cc(Br)cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000455043561 650288261 /nfs/dbraw/zinc/28/82/61/650288261.db2.gz HFCIVMCYLAIZFB-CQSZACIVSA-N 1 0 386.290 2.426 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000455368773 650300878 /nfs/dbraw/zinc/30/08/78/650300878.db2.gz DPMULCXZONJMIO-HNNXBMFYSA-N 1 0 380.290 2.285 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(I)cn1 ZINC000455704194 650313638 /nfs/dbraw/zinc/31/36/38/650313638.db2.gz KSQWZPXAYPHDMS-YPMHNXCESA-N 1 0 385.249 2.385 20 0 GEADRO O=C(NCCC[NH+]1CCCCCC1)Nc1nc2cc(Br)ccn2n1 ZINC000455848381 650321637 /nfs/dbraw/zinc/32/16/37/650321637.db2.gz RDPLIKRDIWBILJ-UHFFFAOYSA-N 1 0 395.305 2.879 20 0 GEADRO Cc1nc(NC[C@@](C)(O)C(F)(F)F)cc(NC[C@@](C)(O)C(F)(F)F)[nH+]1 ZINC000539593565 650338127 /nfs/dbraw/zinc/33/81/27/650338127.db2.gz SLQNCJCROQUSQF-GHMZBOCLSA-N 1 0 376.301 2.235 20 0 GEADRO C[NH+](C)CCCC(C)(C)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000456159260 650332313 /nfs/dbraw/zinc/33/23/13/650332313.db2.gz AIEGKVILASTOAQ-UHFFFAOYSA-N 1 0 390.347 2.477 20 0 GEADRO CC(=O)N(C)CC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC000456376473 650338311 /nfs/dbraw/zinc/33/83/11/650338311.db2.gz SPLJIKYADMGJJW-GFCCVEGCSA-N 1 0 397.317 2.006 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000456280866 650335980 /nfs/dbraw/zinc/33/59/80/650335980.db2.gz TYYUVXBPRKYUEF-HUUCEWRRSA-N 1 0 382.277 2.082 20 0 GEADRO O=C(N[C@H]1CCc2c1ccc(F)c2Br)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000456280867 650336066 /nfs/dbraw/zinc/33/60/66/650336066.db2.gz TYYUVXBPRKYUEF-LSDHHAIUSA-N 1 0 382.277 2.082 20 0 GEADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000456363239 650337990 /nfs/dbraw/zinc/33/79/90/650337990.db2.gz XBBAKHMMNJWTQO-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO Cc1nc(NC[C@@](C)(O)C(F)(F)F)cc(NC[C@](C)(O)C(F)(F)F)[nH+]1 ZINC000539593570 650338060 /nfs/dbraw/zinc/33/80/60/650338060.db2.gz SLQNCJCROQUSQF-PHIMTYICSA-N 1 0 376.301 2.235 20 0 GEADRO CC[N@H+](CC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1)C1CC1 ZINC000456475035 650341574 /nfs/dbraw/zinc/34/15/74/650341574.db2.gz AWQWRCXKFHNWCL-CQSZACIVSA-N 1 0 399.329 2.209 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000456882205 650365453 /nfs/dbraw/zinc/36/54/53/650365453.db2.gz ONJLTGIOFFWEFZ-UHFFFAOYSA-N 1 0 399.333 2.004 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000457361238 650376334 /nfs/dbraw/zinc/37/63/34/650376334.db2.gz JLRZERMXAHMMRY-ASHKBJFXSA-N 1 0 382.302 2.152 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1OC(F)F ZINC000500563070 650380517 /nfs/dbraw/zinc/38/05/17/650380517.db2.gz WHAXSOHWPAKBNF-CHWSQXEVSA-N 1 0 378.441 2.104 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C(C)(C)C1 ZINC000500487021 650379298 /nfs/dbraw/zinc/37/92/98/650379298.db2.gz OJJXPUPBEAXBHU-ZDUSSCGKSA-N 1 0 394.313 2.355 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000500494110 650379512 /nfs/dbraw/zinc/37/95/12/650379512.db2.gz ZMVXGWBVEVMMFF-DZGCQCFKSA-N 1 0 388.917 2.309 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000500494501 650379519 /nfs/dbraw/zinc/37/95/19/650379519.db2.gz GNFGWKPNSZNIQX-ZFWWWQNUSA-N 1 0 380.432 2.435 20 0 GEADRO O=C(NCCc1ccc(Br)s1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457568429 650381152 /nfs/dbraw/zinc/38/11/52/650381152.db2.gz HRPWJTMWPFQWBL-LBPRGKRZSA-N 1 0 390.347 2.199 20 0 GEADRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Br)co1 ZINC000457646644 650382005 /nfs/dbraw/zinc/38/20/05/650382005.db2.gz KANMBYSQLWGBPA-HNNXBMFYSA-N 1 0 379.254 2.191 20 0 GEADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc(Br)co1 ZINC000457681190 650382800 /nfs/dbraw/zinc/38/28/00/650382800.db2.gz HVKFBMVVWANRPS-HUUCEWRRSA-N 1 0 379.254 2.407 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCCNC(=O)c1cccs1 ZINC000457768692 650384047 /nfs/dbraw/zinc/38/40/47/650384047.db2.gz CZRUBUVJYLQLPJ-UHFFFAOYSA-N 1 0 380.539 2.313 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C[C@@H]1C ZINC000500937334 650385029 /nfs/dbraw/zinc/38/50/29/650385029.db2.gz UKFIEROMJPZDLJ-AAEUAGOBSA-N 1 0 385.921 2.184 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccc(Br)s2)C[C@H](C)[N@H+]1CCO ZINC000457810095 650385396 /nfs/dbraw/zinc/38/53/96/650385396.db2.gz RAASVWBAPIROJF-PHIMTYICSA-N 1 0 376.320 2.107 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000458004745 650392065 /nfs/dbraw/zinc/39/20/65/650392065.db2.gz DSLIJNBSMYYVBD-GDBMZVCRSA-N 1 0 398.345 2.302 20 0 GEADRO O=C(NC/C=C/c1ccc(Br)cc1)NCC1CC[NH+](CCO)CC1 ZINC000458367230 650401137 /nfs/dbraw/zinc/40/11/37/650401137.db2.gz CTSHJLSQLCHWQG-OWOJBTEDSA-N 1 0 396.329 2.466 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000458367298 650401155 /nfs/dbraw/zinc/40/11/55/650401155.db2.gz CWQYSNPWSGXXSF-OKILXGFUSA-N 1 0 384.318 2.354 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)Cn2cc(Br)cn2)cc1F ZINC000458311760 650400041 /nfs/dbraw/zinc/40/00/41/650400041.db2.gz HOAOIVKURLLHFH-UHFFFAOYSA-N 1 0 385.237 2.364 20 0 GEADRO CC(C)C(=O)NC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000502048022 650400427 /nfs/dbraw/zinc/40/04/27/650400427.db2.gz CTZBJMCWHUSMIF-INIZCTEOSA-N 1 0 399.329 2.425 20 0 GEADRO C[NH+]1CCC(CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000458349665 650400615 /nfs/dbraw/zinc/40/06/15/650400615.db2.gz ZSUZOERKGXYTAC-UHFFFAOYSA-N 1 0 387.933 2.145 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC000502345363 650405154 /nfs/dbraw/zinc/40/51/54/650405154.db2.gz KQIQXDHUQKLQBG-JTQLQIEISA-N 1 0 390.278 2.367 20 0 GEADRO O=S(=O)([C@H]1CCC[N@@H+](CCCc2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000502325391 650405225 /nfs/dbraw/zinc/40/52/25/650405225.db2.gz MZCKAYIIROTXNG-SFHVURJKSA-N 1 0 386.945 2.399 20 0 GEADRO C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Br)cn1 ZINC000458724396 650409420 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388.555 2.150 20 0 GEADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000503449146 650417612 /nfs/dbraw/zinc/41/76/12/650417612.db2.gz BNGZUKGMJIXNTB-BRWVUGGUSA-N 1 0 388.599 2.209 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000503464024 650418207 /nfs/dbraw/zinc/41/82/07/650418207.db2.gz VZOYGJKRVMZWMY-UHFFFAOYSA-N 1 0 395.294 2.313 20 0 GEADRO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459405286 650423831 /nfs/dbraw/zinc/42/38/31/650423831.db2.gz FGJCQGXZLBGULV-UHFFFAOYSA-N 1 0 396.329 2.189 20 0 GEADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504075765 650427296 /nfs/dbraw/zinc/42/72/96/650427296.db2.gz FQUGONWIIFKJEZ-OAGGEKHMSA-N 1 0 382.302 2.409 20 0 GEADRO C[C@@H]1NC(=O)N(CC[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)C1=O ZINC000459527232 650427489 /nfs/dbraw/zinc/42/74/89/650427489.db2.gz YJVQJVDPDCTWPZ-VIFPVBQESA-N 1 0 376.404 2.282 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000459617107 650429183 /nfs/dbraw/zinc/42/91/83/650429183.db2.gz JBSUBTAMQNRWLP-UHFFFAOYSA-N 1 0 386.338 2.500 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@H]1SC ZINC000459536642 650427623 /nfs/dbraw/zinc/42/76/23/650427623.db2.gz BGCDFNFFJHIASZ-TTZDDIAXSA-N 1 0 390.596 2.257 20 0 GEADRO CN(C)S(=O)(=O)NCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000459537832 650427679 /nfs/dbraw/zinc/42/76/79/650427679.db2.gz NIPLPPGTVXMAHC-UHFFFAOYSA-N 1 0 375.922 2.147 20 0 GEADRO CCCOc1c(Br)cc(CN2C[C@H](CO)[C@H](O)C2)cc1OCC ZINC000459715979 650430801 /nfs/dbraw/zinc/43/08/01/650430801.db2.gz VLPQQTVZBAILBI-UKRRQHHQSA-N 1 0 388.302 2.422 20 0 GEADRO COc1ccc(Br)c(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000459720509 650431502 /nfs/dbraw/zinc/43/15/02/650431502.db2.gz VHWJDACJAXYMOK-UHFFFAOYSA-N 1 0 399.329 2.429 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)Cn1ccnn1 ZINC000459727320 650431511 /nfs/dbraw/zinc/43/15/11/650431511.db2.gz YRHPOYPILHRSGS-LLVKDONJSA-N 1 0 379.180 2.210 20 0 GEADRO O=C(COc1ccc(Br)cc1)N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000504503405 650432323 /nfs/dbraw/zinc/43/23/23/650432323.db2.gz RIOOIYRGJVNMDB-UHFFFAOYSA-N 1 0 397.313 2.277 20 0 GEADRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C12CCC2 ZINC000459780547 650432599 /nfs/dbraw/zinc/43/25/99/650432599.db2.gz XVZGCCUOYNSTNB-GJZGRUSLSA-N 1 0 386.901 2.229 20 0 GEADRO O=C(COc1ccc(Br)cc1CCO)NC1CC[NH+](C2CC2)CC1 ZINC000504951227 650434028 /nfs/dbraw/zinc/43/40/28/650434028.db2.gz YGUNCYHHMVSXPV-UHFFFAOYSA-N 1 0 397.313 2.106 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)c1nccs1 ZINC000505204793 650436080 /nfs/dbraw/zinc/43/60/80/650436080.db2.gz QSFYHXLRXIBDOY-CQSZACIVSA-N 1 0 380.539 2.362 20 0 GEADRO COc1ccc(Br)cc1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000460791528 650445883 /nfs/dbraw/zinc/44/58/83/650445883.db2.gz HBOOAWORZWZEPY-MRXNPFEDSA-N 1 0 399.329 2.473 20 0 GEADRO CCc1ncc(S(=O)(=O)N2CCC(OCC[NH+](CC)CC)CC2)s1 ZINC000460891846 650447305 /nfs/dbraw/zinc/44/73/05/650447305.db2.gz CUJREMQDCYGHJN-UHFFFAOYSA-N 1 0 375.560 2.217 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000461620353 650457278 /nfs/dbraw/zinc/45/72/78/650457278.db2.gz PNDWOROGKWUUDB-CQSZACIVSA-N 1 0 389.949 2.197 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000461858822 650460867 /nfs/dbraw/zinc/46/08/67/650460867.db2.gz XDAGVSFDEWPWKD-UHFFFAOYSA-N 1 0 388.306 2.352 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Br)ccc1F ZINC000461898022 650462009 /nfs/dbraw/zinc/46/20/09/650462009.db2.gz ZJSDDQXZEIZNPJ-WCQYABFASA-N 1 0 377.279 2.255 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1Br ZINC000461899255 650462251 /nfs/dbraw/zinc/46/22/51/650462251.db2.gz OUGASWZTLRKNIT-GXTWGEPZSA-N 1 0 389.315 2.124 20 0 GEADRO Cc1cc(CNC(=O)N2CCC[N@@H+](C)CC2)ccc1I ZINC000462037974 650464883 /nfs/dbraw/zinc/46/48/83/650464883.db2.gz SWQPBJOVSADQMW-UHFFFAOYSA-N 1 0 387.265 2.447 20 0 GEADRO C[C@H]1[C@@H](NS(=O)(=O)CCc2ccccc2Br)CCC[N@@H+]1C ZINC000462060257 650465435 /nfs/dbraw/zinc/46/54/35/650465435.db2.gz QBQABONXSFXPHV-WFASDCNBSA-N 1 0 375.332 2.394 20 0 GEADRO C[NH+](C)C1CCN(S(=O)(=O)CCc2ccccc2Br)CC1 ZINC000462097688 650467792 /nfs/dbraw/zinc/46/77/92/650467792.db2.gz MWHXMBSFIXFDKD-UHFFFAOYSA-N 1 0 375.332 2.347 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(Br)cn1 ZINC000462279471 650473534 /nfs/dbraw/zinc/47/35/34/650473534.db2.gz KUBCSRRUYDWAPU-TXEJJXNPSA-N 1 0 376.320 2.385 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cn2)C[C@@H]1C ZINC000462333440 650475876 /nfs/dbraw/zinc/47/58/76/650475876.db2.gz HCWUIFREXWMERB-WCQYABFASA-N 1 0 376.320 2.337 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000508209254 650477497 /nfs/dbraw/zinc/47/74/97/650477497.db2.gz BGIIQVMKJPEHQF-UHFFFAOYSA-N 1 0 375.579 2.065 20 0 GEADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000462412931 650478381 /nfs/dbraw/zinc/47/83/81/650478381.db2.gz UTZZZGRWRLAEDN-SFHVURJKSA-N 1 0 377.535 2.399 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000508340750 650479288 /nfs/dbraw/zinc/47/92/88/650479288.db2.gz RSZZARURIJINGL-ZIAGYGMSSA-N 1 0 396.329 2.416 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000508340747 650479308 /nfs/dbraw/zinc/47/93/08/650479308.db2.gz RSZZARURIJINGL-KGLIPLIRSA-N 1 0 396.329 2.416 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000508977123 650485371 /nfs/dbraw/zinc/48/53/71/650485371.db2.gz JKUFKOLBHKNYCS-CHWSQXEVSA-N 1 0 375.416 2.385 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cn1 ZINC000462586074 650485412 /nfs/dbraw/zinc/48/54/12/650485412.db2.gz DBCQRDWKCNEAPW-AWEZNQCLSA-N 1 0 388.331 2.387 20 0 GEADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000464478562 650496784 /nfs/dbraw/zinc/49/67/84/650496784.db2.gz UVZOWNRSYSMMIQ-UHFFFAOYSA-N 1 0 376.448 2.324 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462890687 650492115 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C[C@@H]1C[C@H](NC(=O)Cn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000467047893 650501912 /nfs/dbraw/zinc/50/19/12/650501912.db2.gz SAHIOQGJHZEOST-CJNGLKHVSA-N 1 0 377.286 2.425 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000509936272 650503656 /nfs/dbraw/zinc/50/36/56/650503656.db2.gz ASTOCYKAUCAPKL-AWEZNQCLSA-N 1 0 381.523 2.045 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)COc2cccc(I)c2)CC1 ZINC000468910199 650507693 /nfs/dbraw/zinc/50/76/93/650507693.db2.gz JTAFWFVNCZVDTE-UHFFFAOYSA-N 1 0 388.249 2.224 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000510205438 650508406 /nfs/dbraw/zinc/50/84/06/650508406.db2.gz DLYMUXLJVHOPSD-CQSZACIVSA-N 1 0 398.301 2.083 20 0 GEADRO CC[NH+]1CCN(CC(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000469523473 650511167 /nfs/dbraw/zinc/51/11/67/650511167.db2.gz JWFXCKGBKPCMTD-UHFFFAOYSA-N 1 0 380.330 2.234 20 0 GEADRO [NH3+]CCCCNC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000510420191 650511653 /nfs/dbraw/zinc/51/16/53/650511653.db2.gz 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C[NH+](C)C1(CNC(=O)c2[nH]nc3ccc(I)cc32)CCC1 ZINC000474100284 650527677 /nfs/dbraw/zinc/52/76/77/650527677.db2.gz VUZKXBPMQCNTII-UHFFFAOYSA-N 1 0 398.248 2.382 20 0 GEADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)cn1 ZINC000511249027 650530775 /nfs/dbraw/zinc/53/07/75/650530775.db2.gz GQZZTLJPQCNQKM-UHFFFAOYSA-N 1 0 376.320 2.341 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000475424789 650533321 /nfs/dbraw/zinc/53/33/21/650533321.db2.gz PZXVJVCXPMDMQW-UHFFFAOYSA-N 1 0 384.299 2.302 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CCCCCC1 ZINC000475552075 650535559 /nfs/dbraw/zinc/53/55/59/650535559.db2.gz QMGBQJXGAJIVLZ-UHFFFAOYSA-N 1 0 382.452 2.378 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(F)c(C)cc2F)CC1 ZINC000475751991 650537201 /nfs/dbraw/zinc/53/72/01/650537201.db2.gz YFVAVUYWQJMZHO-UHFFFAOYSA-N 1 0 376.469 2.441 20 0 GEADRO C[C@](CO)([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000511606804 650539581 /nfs/dbraw/zinc/53/95/81/650539581.db2.gz 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ZINC000512806714 650554865 /nfs/dbraw/zinc/55/48/65/650554865.db2.gz YFZMBJHMKXXWAJ-UHFFFAOYSA-N 1 0 392.363 2.465 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000513059275 650557329 /nfs/dbraw/zinc/55/73/29/650557329.db2.gz VOGRLCBHWWJBLU-STQMWFEESA-N 1 0 391.331 2.193 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000476845936 650561057 /nfs/dbraw/zinc/56/10/57/650561057.db2.gz JSTJUSZABACLSE-KGLIPLIRSA-N 1 0 399.329 2.304 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000476855918 650561385 /nfs/dbraw/zinc/56/13/85/650561385.db2.gz UEVIQAIEUONDAO-KBPBESRZSA-N 1 0 385.302 2.132 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000477100321 650568513 /nfs/dbraw/zinc/56/85/13/650568513.db2.gz NMYGZESWEDERRQ-UONOGXRCSA-N 1 0 398.345 2.343 20 0 GEADRO C[C@H](c1ccccc1Cl)N1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000513964342 650572360 /nfs/dbraw/zinc/57/23/60/650572360.db2.gz 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650575998 /nfs/dbraw/zinc/57/59/98/650575998.db2.gz XQUZTCHXMDAUQM-OAHLLOKOSA-N 1 0 388.306 2.132 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)NCC1CC[NH2+]CC1 ZINC000514663309 650576008 /nfs/dbraw/zinc/57/60/08/650576008.db2.gz KVQKKGSJAUCDER-LBPRGKRZSA-N 1 0 376.284 2.032 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1Cl ZINC000514672601 650576196 /nfs/dbraw/zinc/57/61/96/650576196.db2.gz UUOQJZCWUZXKQU-WDEREUQCSA-N 1 0 397.324 2.390 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000477621183 650577018 /nfs/dbraw/zinc/57/70/18/650577018.db2.gz JVXZXCPMQPNHSY-UHFFFAOYSA-N 1 0 385.302 2.314 20 0 GEADRO O=C1[C@@H](N2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000514726530 650577930 /nfs/dbraw/zinc/57/79/30/650577930.db2.gz CZEOSCUEGFOBSN-PBHICJAKSA-N 1 0 383.323 2.078 20 0 GEADRO COc1ccc(Br)cc1C1(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000514848598 650580715 /nfs/dbraw/zinc/58/07/15/650580715.db2.gz XVWHMKHHZONACB-UHFFFAOYSA-N 1 0 397.313 2.328 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000514864047 650581571 /nfs/dbraw/zinc/58/15/71/650581571.db2.gz YDQKUEPAIMYGKW-QGZVFWFLSA-N 1 0 380.330 2.233 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1Br ZINC000514888904 650582567 /nfs/dbraw/zinc/58/25/67/650582567.db2.gz WMQJLMXZOSAFQV-AWEZNQCLSA-N 1 0 390.347 2.200 20 0 GEADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cccc(O)c2Br)NC(=O)NC1=O ZINC000515042842 650585597 /nfs/dbraw/zinc/58/55/97/650585597.db2.gz YNRDWYRIGQUARW-MEDUHNTESA-N 1 0 382.258 2.107 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(C[NH3+])cc2)s1 ZINC000515056932 650585713 /nfs/dbraw/zinc/58/57/13/650585713.db2.gz MCQBKXMVQAWKJR-UHFFFAOYSA-N 1 0 381.523 2.167 20 0 GEADRO CC(C)c1nnc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1C ZINC000515058043 650585725 /nfs/dbraw/zinc/58/57/25/650585725.db2.gz FWCBPTVGFYQJGS-MRXNPFEDSA-N 1 0 380.290 2.191 20 0 GEADRO Cn1cc(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc(Br)c1=O ZINC000515218637 650589846 /nfs/dbraw/zinc/58/98/46/650589846.db2.gz ZLXOCRHUULSKCZ-OAHLLOKOSA-N 1 0 391.269 2.156 20 0 GEADRO C[C@@H](OC[C@@H](O)C[NH2+]CC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000515234651 650590171 /nfs/dbraw/zinc/59/01/71/650590171.db2.gz MLGNVBCPXCRTIA-DYVFJYSZSA-N 1 0 375.918 2.193 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000515374249 650593000 /nfs/dbraw/zinc/59/30/00/650593000.db2.gz CCQQYQSZIMWCGJ-PHIMTYICSA-N 1 0 384.249 2.188 20 0 GEADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)CCc2ccccc2Br)C1 ZINC000515724993 650593870 /nfs/dbraw/zinc/59/38/70/650593870.db2.gz LQERZDVMLLMHIB-CYBMUJFWSA-N 1 0 375.332 2.253 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000479034157 650594712 /nfs/dbraw/zinc/59/47/12/650594712.db2.gz MHGNOTOTQGQBBA-ZDUSSCGKSA-N 1 0 380.286 2.303 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000479036250 650594748 /nfs/dbraw/zinc/59/47/48/650594748.db2.gz UZHBYIYAGSHFSR-AAEUAGOBSA-N 1 0 398.301 2.385 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000515861940 650595173 /nfs/dbraw/zinc/59/51/73/650595173.db2.gz VAJZOEMJFTVPPZ-CYBMUJFWSA-N 1 0 385.302 2.443 20 0 GEADRO C[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000479197078 650598632 /nfs/dbraw/zinc/59/86/32/650598632.db2.gz XXXGFMASPANDTB-AWEZNQCLSA-N 1 0 381.318 2.375 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000479356206 650601876 /nfs/dbraw/zinc/60/18/76/650601876.db2.gz FEVKTENQUZFSHT-SNVBAGLBSA-N 1 0 380.539 2.233 20 0 GEADRO CSCC[C@H](CO)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479383376 650602510 /nfs/dbraw/zinc/60/25/10/650602510.db2.gz CHOBLEJUNWVPFX-RKDXNWHRSA-N 1 0 387.354 2.405 20 0 GEADRO COc1c(Br)cccc1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000479389834 650602704 /nfs/dbraw/zinc/60/27/04/650602704.db2.gz VUMLCMGOEVGPHU-UHFFFAOYSA-N 1 0 398.345 2.490 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCOC1 ZINC000479433022 650603412 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[NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)CCN2C1=O ZINC000518797194 650608306 /nfs/dbraw/zinc/60/83/06/650608306.db2.gz NHKDBUXVADHEAN-MWLCHTKSSA-N 1 0 376.766 2.135 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000479724639 650608879 /nfs/dbraw/zinc/60/88/79/650608879.db2.gz PDCDMDQFRMHLDP-UHFFFAOYSA-N 1 0 386.283 2.272 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNCc2cc(Br)cc(Br)c2)C1 ZINC000520211765 650613857 /nfs/dbraw/zinc/61/38/57/650613857.db2.gz SCNNZKLGAMUTKQ-ZDUSSCGKSA-N 1 0 378.108 2.368 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000519616146 650609592 /nfs/dbraw/zinc/60/95/92/650609592.db2.gz PGMVBPCCEHSQIW-ZDUSSCGKSA-N 1 0 378.274 2.031 20 0 GEADRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)C1 ZINC000479794356 650610265 /nfs/dbraw/zinc/61/02/65/650610265.db2.gz FYKLVRCDZPBHCD-LJGSYFOKSA-N 1 0 389.193 2.116 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000519702633 650610683 /nfs/dbraw/zinc/61/06/83/650610683.db2.gz DMMWEJQOPVRSRG-UWVGGRQHSA-N 1 0 395.294 2.263 20 0 GEADRO CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)C1(C)C ZINC000519733776 650612105 /nfs/dbraw/zinc/61/21/05/650612105.db2.gz WZCHYUOILXRNRT-BRWVUGGUSA-N 1 0 375.579 2.077 20 0 GEADRO CC(C)(CNC(=O)CCCC[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000520226085 650614435 /nfs/dbraw/zinc/61/44/35/650614435.db2.gz YTNDBDICDXSUOO-UHFFFAOYSA-N 1 0 391.331 2.247 20 0 GEADRO CNC(=O)C(C)(C)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172277 650616770 /nfs/dbraw/zinc/61/67/70/650616770.db2.gz VUIXQJPHKLUHCN-LBPRGKRZSA-N 1 0 389.315 2.029 20 0 GEADRO C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000480195164 650617551 /nfs/dbraw/zinc/61/75/51/650617551.db2.gz HYKOOIWAASCMHN-GFCCVEGCSA-N 1 0 382.452 2.284 20 0 GEADRO O=S1(=O)CC[C@@H]([NH2+]CCSCCCO)c2cc(Br)ccc21 ZINC000480228751 650618274 /nfs/dbraw/zinc/61/82/74/650618274.db2.gz OOSGNSRTOVCLNY-CYBMUJFWSA-N 1 0 394.356 2.373 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)CCOCC(F)(F)F ZINC000521687106 650618689 /nfs/dbraw/zinc/61/86/89/650618689.db2.gz JMDBTEOYBPEGPG-DZGCQCFKSA-N 1 0 380.432 2.005 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000522433691 650625180 /nfs/dbraw/zinc/62/51/80/650625180.db2.gz DCSQPKLRRHPPMD-CQSZACIVSA-N 1 0 387.933 2.143 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1ccc(Br)cc1 ZINC000522689663 650626772 /nfs/dbraw/zinc/62/67/72/650626772.db2.gz MJWXJTJEDZHLSE-GDBMZVCRSA-N 1 0 390.285 2.024 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cccc(Br)c2)CCSC1 ZINC000481342832 650644500 /nfs/dbraw/zinc/64/45/00/650644500.db2.gz SAZQXJVMTWDXLZ-CYBMUJFWSA-N 1 0 379.345 2.165 20 0 GEADRO CCOc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1OCC ZINC000481346074 650644649 /nfs/dbraw/zinc/64/46/49/650644649.db2.gz NISDEALPXLJROW-QGZVFWFLSA-N 1 0 388.555 2.200 20 0 GEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)c[nH]1 ZINC000524715625 650645322 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COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000525836912 650658626 /nfs/dbraw/zinc/65/86/26/650658626.db2.gz FWEPTGVHLKWYKC-UHFFFAOYSA-N 1 0 392.681 2.070 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000482064638 650659197 /nfs/dbraw/zinc/65/91/97/650659197.db2.gz IXPDMFKQVYTATQ-MJBXVCDLSA-N 1 0 385.555 2.134 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000527167189 650670030 /nfs/dbraw/zinc/67/00/30/650670030.db2.gz OUPAKQBXFSYJMU-AWEZNQCLSA-N 1 0 386.338 2.455 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000527224094 650671516 /nfs/dbraw/zinc/67/15/16/650671516.db2.gz OHPVBKOCIJDPGO-DOMZBBRYSA-N 1 0 397.317 2.005 20 0 GEADRO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cn1 ZINC000482968105 650671896 /nfs/dbraw/zinc/67/18/96/650671896.db2.gz YOPCQXUOIHFMSI-GFCCVEGCSA-N 1 0 381.318 2.238 20 0 GEADRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000527303468 650672618 /nfs/dbraw/zinc/67/26/18/650672618.db2.gz ULGPIBYYYIBTQZ-UHFFFAOYSA-N 1 0 381.523 2.419 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000527358550 650674482 /nfs/dbraw/zinc/67/44/82/650674482.db2.gz KSUOBMJLRPJWLE-VHSXEESVSA-N 1 0 387.449 2.146 20 0 GEADRO C[NH+](C)CCc1ccc(CNC(=O)NCc2n[nH]cc2Br)cc1 ZINC000527501912 650677116 /nfs/dbraw/zinc/67/71/16/650677116.db2.gz MNPZLGWDAPYNAF-UHFFFAOYSA-N 1 0 380.290 2.276 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1Br ZINC000483576299 650680118 /nfs/dbraw/zinc/68/01/18/650680118.db2.gz RYEOPIULWHHDSF-UHFFFAOYSA-N 1 0 386.265 2.437 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1ncc(Br)cc1F ZINC000527654330 650681409 /nfs/dbraw/zinc/68/14/09/650681409.db2.gz ZVKAAMJCDIVXAQ-HNNXBMFYSA-N 1 0 387.297 2.016 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cc(Cl)ccc1Br ZINC000484581816 650687655 /nfs/dbraw/zinc/68/76/55/650687655.db2.gz HPTRTTJTUWLFPE-UHFFFAOYSA-N 1 0 397.660 2.086 20 0 GEADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000484636437 650688175 /nfs/dbraw/zinc/68/81/75/650688175.db2.gz GRMZHMJWVJULFE-HOTGVXAUSA-N 1 0 385.302 2.191 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)NCC3([NH3+])CCCCC3)c(Cl)cc21 ZINC000528043342 650684591 /nfs/dbraw/zinc/68/45/91/650684591.db2.gz NJHLEBDELFKOAF-UHFFFAOYSA-N 1 0 385.917 2.189 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000484112417 650685245 /nfs/dbraw/zinc/68/52/45/650685245.db2.gz HKMPMRAOZYIMDO-IOASZLSFSA-N 1 0 396.329 2.399 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000528686442 650697825 /nfs/dbraw/zinc/69/78/25/650697825.db2.gz NCIZUJPPKILUBE-QMMMGPOBSA-N 1 0 398.179 2.458 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484920639 650691284 /nfs/dbraw/zinc/69/12/84/650691284.db2.gz XLDNQNCKJOEBTK-TUAOUCFPSA-N 1 0 387.265 2.287 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)[N@H+](C)C1CC1 ZINC000485104387 650693204 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COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c(OC)s1 ZINC000485698574 650699127 /nfs/dbraw/zinc/69/91/27/650699127.db2.gz VQMJLQKIEDRMLW-OLZOCXBDSA-N 1 0 380.304 2.429 20 0 GEADRO COc1ccc(Br)c(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000485804947 650700900 /nfs/dbraw/zinc/70/09/00/650700900.db2.gz KKNYYPPSFUOYLE-SNVBAGLBSA-N 1 0 379.258 2.188 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000485849499 650701350 /nfs/dbraw/zinc/70/13/50/650701350.db2.gz VLRDDHPHOXAZTC-DLBZAZTESA-N 1 0 384.307 2.283 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1cc(F)c(Br)cc1F ZINC000529345300 650703155 /nfs/dbraw/zinc/70/31/55/650703155.db2.gz UYAQOOHEULSVGE-VHSXEESVSA-N 1 0 392.244 2.466 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N(CCO)Cc1cccc(Br)c1 ZINC000529351579 650703565 /nfs/dbraw/zinc/70/35/65/650703565.db2.gz IGQXGRGMDKKYSH-OAHLLOKOSA-N 1 0 382.302 2.238 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000486090885 650707126 /nfs/dbraw/zinc/70/71/26/650707126.db2.gz ORFGQHACNGPNIK-UHFFFAOYSA-N 1 0 389.949 2.043 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000486204705 650708633 /nfs/dbraw/zinc/70/86/33/650708633.db2.gz PJFJZQMJSLFPIE-ONGXEEELSA-N 1 0 378.279 2.209 20 0 GEADRO COCCn1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000530032884 650711193 /nfs/dbraw/zinc/71/11/93/650711193.db2.gz LALWRUDYGRHZJO-AWEZNQCLSA-N 1 0 386.283 2.264 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C(C)(C)C1 ZINC000486455249 650714038 /nfs/dbraw/zinc/71/40/38/650714038.db2.gz AUCCGIRLAIXIPB-ZDUSSCGKSA-N 1 0 380.286 2.428 20 0 GEADRO C[NH+](C)CCOc1cc(NC(=O)Cc2cc[nH]c(=O)c2Br)ccn1 ZINC000486428927 650713354 /nfs/dbraw/zinc/71/33/54/650713354.db2.gz SVYMDXZUJJNELH-UHFFFAOYSA-N 1 0 395.257 2.066 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1nc2ccc(Br)cn2n1 ZINC000530196147 650717788 /nfs/dbraw/zinc/71/77/88/650717788.db2.gz PVAILDAKEHWGSH-CYBMUJFWSA-N 1 0 378.274 2.239 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000486655936 650717993 /nfs/dbraw/zinc/71/79/93/650717993.db2.gz JQSBCYAYBLHWLF-CJNGLKHVSA-N 1 0 396.329 2.100 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Br)c(F)c3)[C@H]2C1 ZINC000486685868 650718906 /nfs/dbraw/zinc/71/89/06/650718906.db2.gz QIUDCZZJRHZKGZ-HZMBPMFUSA-N 1 0 377.279 2.303 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530236570 650719113 /nfs/dbraw/zinc/71/91/13/650719113.db2.gz PPECPIFYMRFQJS-BZUAXINKSA-N 1 0 385.551 2.422 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ncccc3Br)C2)CC1 ZINC000530287930 650719923 /nfs/dbraw/zinc/71/99/23/650719923.db2.gz MHXIJODHJWLJBZ-CQSZACIVSA-N 1 0 381.318 2.085 20 0 GEADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000486807758 650722757 /nfs/dbraw/zinc/72/27/57/650722757.db2.gz AGLZKKLZKXNRIC-IAGOWNOFSA-N 1 0 375.579 2.063 20 0 GEADRO C[C@@H]([NH2+]CCc1cncn1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530360542 650723162 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C[NH+](C)CCCN(C(=O)CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000531198450 650736219 /nfs/dbraw/zinc/73/62/19/650736219.db2.gz CUGCXILJMHMCAA-MRXNPFEDSA-N 1 0 384.567 2.136 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000531484323 650739240 /nfs/dbraw/zinc/73/92/40/650739240.db2.gz YJPJIHOFRKZUCY-CYBMUJFWSA-N 1 0 384.322 2.334 20 0 GEADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000531651224 650741784 /nfs/dbraw/zinc/74/17/84/650741784.db2.gz CGGWKDRSPOQOLY-IRXDYDNUSA-N 1 0 375.579 2.063 20 0 GEADRO CSc1ccccc1NC(=O)CN(C)C(=O)C[N@@H+]1CCSC[C@H](C)C1 ZINC000488226449 650742846 /nfs/dbraw/zinc/74/28/46/650742846.db2.gz UZFDFEGZNPCXGJ-CQSZACIVSA-N 1 0 381.567 2.490 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000008351270 642351506 /nfs/dbraw/zinc/35/15/06/642351506.db2.gz PLCRCOQUSWHCCV-GFCCVEGCSA-N 1 0 386.290 2.153 20 0 GEADRO CCCN(CCC)S(=O)(=O)N1CC[NH+](C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000488560350 650748106 /nfs/dbraw/zinc/74/81/06/650748106.db2.gz OXDPEVLDPMMIQQ-QZTJIDSGSA-N 1 0 375.579 2.176 20 0 GEADRO Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1NS(C)(=O)=O ZINC000025816192 642428937 /nfs/dbraw/zinc/42/89/37/642428937.db2.gz NRMVDHOULDOAIO-INIZCTEOSA-N 1 0 381.523 2.461 20 0 GEADRO O=C1c2ccc(Br)cc2N(CN2CC[NH+](C3CCCC3)CC2)C1=O ZINC000026628618 642436343 /nfs/dbraw/zinc/43/63/43/642436343.db2.gz SQEJYLTUJPUHQA-UHFFFAOYSA-N 1 0 392.297 2.496 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000532873093 650754312 /nfs/dbraw/zinc/75/43/12/650754312.db2.gz MSBNAMDGJCKRLL-BBRMVZONSA-N 1 0 385.917 2.268 20 0 GEADRO CC1CC[NH+](CCCNC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000028069021 642445115 /nfs/dbraw/zinc/44/51/15/642445115.db2.gz LNGIDNUURXHJRJ-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1Cl ZINC000028852621 642454068 /nfs/dbraw/zinc/45/40/68/642454068.db2.gz URQNWHLCNCYUOR-UHFFFAOYSA-N 1 0 381.885 2.448 20 0 GEADRO COCC[N@H+](C[C@H](O)COc1cccc(Br)c1)[C@@H]1CCO[C@H]1C ZINC000489448092 650759236 /nfs/dbraw/zinc/75/92/36/650759236.db2.gz JYSHYOXDWZVMSB-JLJPHGGASA-N 1 0 388.302 2.315 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000029607735 642465720 /nfs/dbraw/zinc/46/57/20/642465720.db2.gz WKVQCUVCQTYDJP-UHFFFAOYSA-N 1 0 379.917 2.488 20 0 GEADRO COc1ccc(Br)cc1C[N@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000533079954 650756620 /nfs/dbraw/zinc/75/66/20/650756620.db2.gz IMAIRJOYFVHLEP-CVEARBPZSA-N 1 0 388.302 2.446 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000490027541 650766726 /nfs/dbraw/zinc/76/67/26/650766726.db2.gz AZNVLSBDQOKUFA-SNVBAGLBSA-N 1 0 379.320 2.242 20 0 GEADRO O=S(=O)(c1csc2ccc(Cl)cc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000490065529 650767618 /nfs/dbraw/zinc/76/76/18/650767618.db2.gz GCWNYORIIVSDJF-ZDUSSCGKSA-N 1 0 385.942 2.223 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H](CC(C)C)[NH+](C)C ZINC000042208580 642546048 /nfs/dbraw/zinc/54/60/48/642546048.db2.gz DTLDBKMHZWWEEA-LSDHHAIUSA-N 1 0 390.981 2.270 20 0 GEADRO C[C@H]1C[C@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000533311228 650759914 /nfs/dbraw/zinc/75/99/14/650759914.db2.gz MLMYRZAHKBLIBZ-SWLSCSKDSA-N 1 0 379.302 2.372 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)CNC(=O)c2ccc(Br)o2)c1 ZINC000043977739 642567558 /nfs/dbraw/zinc/56/75/58/642567558.db2.gz QFBMRITTZGTWAQ-UHFFFAOYSA-N 1 0 394.269 2.150 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000044362777 642577005 /nfs/dbraw/zinc/57/70/05/642577005.db2.gz OEJWORSQSRYBJR-OAHLLOKOSA-N 1 0 398.345 2.231 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000045013007 642586294 /nfs/dbraw/zinc/58/62/94/642586294.db2.gz RMUQNCKEGRUNAI-UHFFFAOYSA-N 1 0 385.306 2.417 20 0 GEADRO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045158030 642589723 /nfs/dbraw/zinc/58/97/23/642589723.db2.gz LHIXCINEHCXPQZ-CYBMUJFWSA-N 1 0 382.302 2.260 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000489828913 650764193 /nfs/dbraw/zinc/76/41/93/650764193.db2.gz YKFMMFAAYPQZLT-LSDHHAIUSA-N 1 0 395.345 2.064 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000045749099 642595639 /nfs/dbraw/zinc/59/56/39/642595639.db2.gz OVUVJHOIRLWZPY-UHFFFAOYSA-N 1 0 383.286 2.246 20 0 GEADRO CC(C)[NH+]1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000045777920 642596940 /nfs/dbraw/zinc/59/69/40/642596940.db2.gz BGQYJPJNRFLYMG-UHFFFAOYSA-N 1 0 398.345 2.312 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)NCC[NH+](C)C ZINC000046116517 642605508 /nfs/dbraw/zinc/60/55/08/642605508.db2.gz VANUEWMNBYQVBZ-UHFFFAOYSA-N 1 0 382.629 2.245 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cccc(I)c3)[C@@H]2C1 ZINC000490221629 650770179 /nfs/dbraw/zinc/77/01/79/650770179.db2.gz KWWYMPXVBNFTRJ-UKRRQHHQSA-N 1 0 384.261 2.386 20 0 GEADRO O=C(COc1ccc(I)cc1)NCC[NH+]1CCCCC1 ZINC000046854798 642617538 /nfs/dbraw/zinc/61/75/38/642617538.db2.gz GRHKNXYGWRZCCP-UHFFFAOYSA-N 1 0 388.249 2.272 20 0 GEADRO O=C(NNC(=O)c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047106367 642621929 /nfs/dbraw/zinc/62/19/29/642621929.db2.gz VJGUFQAZSCTRMB-ZIAGYGMSSA-N 1 0 381.274 2.020 20 0 GEADRO COCCN(CC(=O)N[C@H](C)c1ccc(Br)cc1)[C@H]1CCOC1 ZINC000490086329 650767773 /nfs/dbraw/zinc/76/77/73/650767773.db2.gz YHYXCZHPHDVSJC-CJNGLKHVSA-N 1 0 385.302 2.364 20 0 GEADRO COCCN(CC(=O)N[C@H](C)c1ccc(Br)cc1)[C@@H]1CCOC1 ZINC000490086330 650767776 /nfs/dbraw/zinc/76/77/76/650767776.db2.gz YHYXCZHPHDVSJC-CZUORRHYSA-N 1 0 385.302 2.364 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000049993240 642673796 /nfs/dbraw/zinc/67/37/96/642673796.db2.gz GWSVVYFKPJCTID-DLBZAZTESA-N 1 0 380.330 2.306 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000049993239 642673858 /nfs/dbraw/zinc/67/38/58/642673858.db2.gz GWSVVYFKPJCTID-SJORKVTESA-N 1 0 380.330 2.306 20 0 GEADRO CC1CC[NH+](CC(=O)N2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000051210071 642692284 /nfs/dbraw/zinc/69/22/84/642692284.db2.gz VZVQQGFQUVJWCS-UHFFFAOYSA-N 1 0 381.318 2.225 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1ccn(-c2cccc(Br)c2)n1 ZINC000534524245 650776804 /nfs/dbraw/zinc/77/68/04/650776804.db2.gz KNUDWIOTJFXCTR-UHFFFAOYSA-N 1 0 386.253 2.294 20 0 GEADRO CCCc1ncc(C(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000534546290 650777433 /nfs/dbraw/zinc/77/74/33/650777433.db2.gz REEJDASAWOOLFM-CQSZACIVSA-N 1 0 387.571 2.067 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000052499921 642721032 /nfs/dbraw/zinc/72/10/32/642721032.db2.gz FGXHUDCPYFCUPW-CYBMUJFWSA-N 1 0 383.290 2.089 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000053688428 642736508 /nfs/dbraw/zinc/73/65/08/642736508.db2.gz CVSWNAOTUXSPFF-RYUDHWBXSA-N 1 0 376.954 2.417 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc(I)cc2)C[C@H]1[NH+](C)C ZINC000534828998 650781147 /nfs/dbraw/zinc/78/11/47/650781147.db2.gz XTZQLCUZYYYIRA-CHWSQXEVSA-N 1 0 390.290 2.409 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1n[nH]cc1Br)Cc1ccccc1 ZINC000535260463 650786462 /nfs/dbraw/zinc/78/64/62/650786462.db2.gz IIJQRRXLANAVTN-ZDUSSCGKSA-N 1 0 380.290 2.144 20 0 GEADRO CC[NH+](CC)CCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000054847209 642762614 /nfs/dbraw/zinc/76/26/14/642762614.db2.gz PTIVDAYJWHXPHQ-UHFFFAOYSA-N 1 0 376.320 2.041 20 0 GEADRO CC(C)[NH+](CCN(C(=S)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000054924725 642764327 /nfs/dbraw/zinc/76/43/27/642764327.db2.gz XVOUROGAFBEFGI-OAHLLOKOSA-N 1 0 377.620 2.267 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCC(=O)Nc1ccc(Br)cc1 ZINC000054954463 642765807 /nfs/dbraw/zinc/76/58/07/642765807.db2.gz UUKULDXIVMYDOX-AWEZNQCLSA-N 1 0 399.358 2.336 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000535619863 650789366 /nfs/dbraw/zinc/78/93/66/650789366.db2.gz FHEBXAKSJZXTAP-STQMWFEESA-N 1 0 384.445 2.251 20 0 GEADRO C[NH+]1CCN(c2cc(CNC(=O)c3nc(Cl)ccc3Cl)ccn2)CC1 ZINC000056792795 642797449 /nfs/dbraw/zinc/79/74/49/642797449.db2.gz MNTGZUYJCKHEOI-UHFFFAOYSA-N 1 0 380.279 2.465 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCc1cc(F)ccc1Br ZINC000057035709 642801772 /nfs/dbraw/zinc/80/17/72/642801772.db2.gz IVGIIOIWATXMIZ-UHFFFAOYSA-N 1 0 388.281 2.500 20 0 GEADRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000492025981 650789599 /nfs/dbraw/zinc/78/95/99/650789599.db2.gz XCIFOXZDWZQWNJ-UHFFFAOYSA-N 1 0 378.489 2.423 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000060113310 642833302 /nfs/dbraw/zinc/83/33/02/642833302.db2.gz HLIJZFWKSIDHRF-CQSZACIVSA-N 1 0 386.901 2.376 20 0 GEADRO C[NH+](C)CCCNC(=S)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000060434654 642836076 /nfs/dbraw/zinc/83/60/76/642836076.db2.gz IIDCVVGJNUHXBK-ZDUSSCGKSA-N 1 0 383.949 2.212 20 0 GEADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000063121956 642852042 /nfs/dbraw/zinc/85/20/42/642852042.db2.gz AUNQIIHSJKLGRM-UHFFFAOYSA-N 1 0 396.738 2.460 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1Br ZINC000063194214 642854553 /nfs/dbraw/zinc/85/45/53/642854553.db2.gz GJRZCCAVYXJJNB-GWCFXTLKSA-N 1 0 377.304 2.348 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1Br ZINC000063194216 642854581 /nfs/dbraw/zinc/85/45/81/642854581.db2.gz GJRZCCAVYXJJNB-GXFFZTMASA-N 1 0 377.304 2.348 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCCN(C)C2)cc(I)c1OC ZINC000063319032 642857492 /nfs/dbraw/zinc/85/74/92/642857492.db2.gz PJMKEIHSKNCCFP-LBPRGKRZSA-N 1 0 390.265 2.492 20 0 GEADRO C[C@H](NC(N)=O)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000063498339 642859227 /nfs/dbraw/zinc/85/92/27/642859227.db2.gz QAELEURIDPURCB-LBPRGKRZSA-N 1 0 387.311 2.475 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000492829815 650791962 /nfs/dbraw/zinc/79/19/62/650791962.db2.gz LMFOYKGXCPFVKM-CVEARBPZSA-N 1 0 390.311 2.171 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000063864986 642864676 /nfs/dbraw/zinc/86/46/76/642864676.db2.gz LPGBPFJROMXJEX-UHFFFAOYSA-N 1 0 386.290 2.105 20 0 GEADRO COCCN1CCC([NH2+][C@H]2CCO[C@@H]2c2cncc(Br)c2)CC1 ZINC000492815595 650792122 /nfs/dbraw/zinc/79/21/22/650792122.db2.gz IDIGSEQITOYXBR-DLBZAZTESA-N 1 0 384.318 2.375 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000535980353 650792880 /nfs/dbraw/zinc/79/28/80/650792880.db2.gz LGSWBXMGNLSSTE-MGPQQGTHSA-N 1 0 394.313 2.353 20 0 GEADRO O=C(COC(=O)c1ccc(Br)cc1O)NC1CC[NH+](C2CC2)CC1 ZINC000064727452 642876105 /nfs/dbraw/zinc/87/61/05/642876105.db2.gz KNOQMOICMCEKHI-UHFFFAOYSA-N 1 0 397.269 2.055 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(OCCO)CC1 ZINC000536002143 650793547 /nfs/dbraw/zinc/79/35/47/650793547.db2.gz IDEUOIVODIKGRJ-CQSZACIVSA-N 1 0 399.329 2.269 20 0 GEADRO C[N@@H+]1CCCN(C(=O)CCOc2cccc(I)c2)CC1 ZINC000493416827 650793608 /nfs/dbraw/zinc/79/36/08/650793608.db2.gz UIJSYBDZDRTSDX-UHFFFAOYSA-N 1 0 388.249 2.224 20 0 GEADRO O=C1c2cc(Br)ccc2N(CN2CC[C@@H]([NH+]3CCCC3)C2)C1=O ZINC000066081023 642896474 /nfs/dbraw/zinc/89/64/74/642896474.db2.gz FRJVYNCQEVBVPQ-CYBMUJFWSA-N 1 0 378.270 2.106 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000066125010 642898640 /nfs/dbraw/zinc/89/86/40/642898640.db2.gz WJNMHRKUDGCHKI-SNVBAGLBSA-N 1 0 376.320 2.087 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000066125309 642898748 /nfs/dbraw/zinc/89/87/48/642898748.db2.gz YTEYFLNHZBIIKO-GJZGRUSLSA-N 1 0 387.571 2.138 20 0 GEADRO COc1cc(Br)c(CNC(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000066174929 642900012 /nfs/dbraw/zinc/90/00/12/642900012.db2.gz ISZONKIJFKXTGX-UHFFFAOYSA-N 1 0 386.290 2.360 20 0 GEADRO Cc1cc(Br)oc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000066343439 642910342 /nfs/dbraw/zinc/91/03/42/642910342.db2.gz QFYQNONRPRTPBL-UHFFFAOYSA-N 1 0 393.285 2.427 20 0 GEADRO CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C1CC1 ZINC000066422301 642912908 /nfs/dbraw/zinc/91/29/08/642912908.db2.gz HUGVFWSNKNDIIL-GFCCVEGCSA-N 1 0 395.301 2.115 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)CC[N@@H+]1C 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AGTAYBDUYHXWBC-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000126473390 643732873 /nfs/dbraw/zinc/73/28/73/643732873.db2.gz AUASKQWVUHQNQF-UHFFFAOYSA-N 1 0 391.331 2.449 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000126681511 643741538 /nfs/dbraw/zinc/74/15/38/643741538.db2.gz YGGCDDPBIJHNOI-ZDUSSCGKSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000498718106 650863195 /nfs/dbraw/zinc/86/31/95/650863195.db2.gz OKTDYXDNNFFXDW-QWHCGFSZSA-N 1 0 382.302 2.120 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000498717591 650863199 /nfs/dbraw/zinc/86/31/99/650863199.db2.gz MWRWEZJDIDMKOK-XJKSGUPXSA-N 1 0 394.313 2.355 20 0 GEADRO O=C(CSCc1cscn1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000126950197 643751348 /nfs/dbraw/zinc/75/13/48/643751348.db2.gz FSIQIAVZEXIAAG-SJORKVTESA-N 1 0 377.535 2.128 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N[C@@H]1CC[NH2+]C1 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C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000155105937 644064811 /nfs/dbraw/zinc/06/48/11/644064811.db2.gz BCDHKFDWVRVTKC-CYBMUJFWSA-N 1 0 394.313 2.122 20 0 GEADRO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000155117860 644065850 /nfs/dbraw/zinc/06/58/50/644065850.db2.gz IOQMCJBLXSYXDK-DZGCQCFKSA-N 1 0 386.286 2.464 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000155469155 644072864 /nfs/dbraw/zinc/07/28/64/644072864.db2.gz XIQQQAFKFQYDGY-ZDUSSCGKSA-N 1 0 387.933 2.228 20 0 GEADRO C[C@]1([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CCO[C@@H]1C1CC1 ZINC000542310177 650889726 /nfs/dbraw/zinc/88/97/26/650889726.db2.gz YQIQJVHKGSFVRK-SJORKVTESA-N 1 0 386.901 2.229 20 0 GEADRO C[C@H]([NH2+]Cc1cccs1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000156501567 644099544 /nfs/dbraw/zinc/09/95/44/644099544.db2.gz VHOPQWUUGYHRCF-LBPRGKRZSA-N 1 0 388.536 2.325 20 0 GEADRO COc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1I ZINC000156543486 644102001 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CC[N@H+](CCNS(=O)(=O)c1c2ccccc2sc1C(=O)OC)C1CC1 ZINC000157049300 644127909 /nfs/dbraw/zinc/12/79/09/644127909.db2.gz TUFREBRBZUDNFH-UHFFFAOYSA-N 1 0 382.507 2.451 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(S(C)(=O)=O)cs3)cc2)CC1 ZINC000157196247 644132509 /nfs/dbraw/zinc/13/25/09/644132509.db2.gz VPINEQCCCDFUAJ-UHFFFAOYSA-N 1 0 379.507 2.156 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000158515919 644147355 /nfs/dbraw/zinc/14/73/55/644147355.db2.gz HQHMCQLFKIPMHO-GFCCVEGCSA-N 1 0 396.289 2.096 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)CCC[NH3+])ccc2Cl)C1 ZINC000158791395 644160475 /nfs/dbraw/zinc/16/04/75/644160475.db2.gz KHMCASKDLOHRTH-CYBMUJFWSA-N 1 0 387.933 2.181 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C1 ZINC000543110607 650899624 /nfs/dbraw/zinc/89/96/24/650899624.db2.gz YJKDVXGLGOFDMM-LBPRGKRZSA-N 1 0 387.933 2.228 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1Cl ZINC000161166227 644208416 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O=C(Cn1cc(Br)ccc1=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000163208226 644252734 /nfs/dbraw/zinc/25/27/34/644252734.db2.gz KXJBBMWZZABOFL-AWEZNQCLSA-N 1 0 395.253 2.412 20 0 GEADRO CC(C)[C@@H](CNC(=O)Nc1ccc(Br)nc1)[NH+]1CCN(C)CC1 ZINC000166925664 644278978 /nfs/dbraw/zinc/27/89/78/644278978.db2.gz OLVFXGKJRMHSRW-CQSZACIVSA-N 1 0 384.322 2.238 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000170859720 644292583 /nfs/dbraw/zinc/29/25/83/644292583.db2.gz KRRXEUADUDBWAI-JKSUJKDBSA-N 1 0 382.302 2.179 20 0 GEADRO COc1nc(N2CC[NH+](CC[C@H]3CCCCO3)CC2)ncc1Br ZINC000543435470 650911456 /nfs/dbraw/zinc/91/14/56/650911456.db2.gz VYWWJHBKGXJPDC-CYBMUJFWSA-N 1 0 385.306 2.329 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)NCCC[NH+]1CCCC1 ZINC000171103399 644309783 /nfs/dbraw/zinc/30/97/83/644309783.db2.gz IZQMOJREDFRKSM-UHFFFAOYSA-N 1 0 383.286 2.365 20 0 GEADRO Cc1ccc(OCCC(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000171133823 644313464 /nfs/dbraw/zinc/31/34/64/644313464.db2.gz 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CCS(=O)(=O)C[C@@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000182731570 644970611 /nfs/dbraw/zinc/97/06/11/644970611.db2.gz QNCCOQAFHQPFHE-LLVKDONJSA-N 1 0 377.304 2.191 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)C1 ZINC000182803345 644971694 /nfs/dbraw/zinc/97/16/94/644971694.db2.gz WKRNLXYQEGDMSD-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1Br ZINC000183146968 644981199 /nfs/dbraw/zinc/98/11/99/644981199.db2.gz MSUQFYHZYVNSNI-SNVBAGLBSA-N 1 0 389.315 2.400 20 0 GEADRO C[C@@H](CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)C[NH+]1CCCC1 ZINC000183166430 644983568 /nfs/dbraw/zinc/98/35/68/644983568.db2.gz HZNXFFWSMCGFCG-NSHDSACASA-N 1 0 396.285 2.242 20 0 GEADRO C[NH+](C)CCCNC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000183188895 644985194 /nfs/dbraw/zinc/98/51/94/644985194.db2.gz AKABFLDRUUDECF-UHFFFAOYSA-N 1 0 383.905 2.197 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCC[NH+]2CCCC2)ccc1Cl ZINC000183357685 644991682 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GEADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(Cl)cc1Cl ZINC000185237416 645039576 /nfs/dbraw/zinc/03/95/76/645039576.db2.gz HYUNITWMMANPIX-UHFFFAOYSA-N 1 0 395.308 2.495 20 0 GEADRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1Cl ZINC000185307134 645042490 /nfs/dbraw/zinc/04/24/90/645042490.db2.gz IAQJVPPLFJPYJA-LLVKDONJSA-N 1 0 390.870 2.234 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(Br)ccc1Br ZINC000185542251 645048678 /nfs/dbraw/zinc/04/86/78/645048678.db2.gz BRFJYMLJJGIVHA-CYBMUJFWSA-N 1 0 394.107 2.254 20 0 GEADRO CSc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1Cl ZINC000185715643 645051540 /nfs/dbraw/zinc/05/15/40/645051540.db2.gz AQDSOSAMASSYSU-UHFFFAOYSA-N 1 0 378.947 2.045 20 0 GEADRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000186030898 645057861 /nfs/dbraw/zinc/05/78/61/645057861.db2.gz VGXBTVIKMCIGQG-ABAIWWIYSA-N 1 0 398.301 2.432 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000186985495 645077865 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Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000188113709 645109071 /nfs/dbraw/zinc/10/90/71/645109071.db2.gz AVROXTBOZKCRLQ-LSDHHAIUSA-N 1 0 380.286 2.391 20 0 GEADRO Cn1cc(C[NH+]2CCC(c3ccccc3Br)CC2)c(=O)n(C)c1=O ZINC000188622039 645122473 /nfs/dbraw/zinc/12/24/73/645122473.db2.gz ZZYYKRYJAXUZNX-UHFFFAOYSA-N 1 0 392.297 2.226 20 0 GEADRO COc1cc(Br)cc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1O ZINC000188743422 645124384 /nfs/dbraw/zinc/12/43/84/645124384.db2.gz ICAYXCYIZQSCQK-LBPRGKRZSA-N 1 0 387.318 2.440 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)ncc1Cl ZINC000188846573 645127767 /nfs/dbraw/zinc/12/77/67/645127767.db2.gz IVPAYKLPUCLJGF-JTQLQIEISA-N 1 0 376.682 2.338 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)COc2ccc3ccccc3c2Br)C1 ZINC000545861356 650982481 /nfs/dbraw/zinc/98/24/81/650982481.db2.gz PWOMISLLQBDTAI-GOSISDBHSA-N 1 0 393.281 2.164 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545874272 650983188 /nfs/dbraw/zinc/98/31/88/650983188.db2.gz IYRRNLBFRQQLLH-UHFFFAOYSA-N 1 0 380.286 2.464 20 0 GEADRO CNS(=O)(=O)CC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000190307785 645150879 /nfs/dbraw/zinc/15/08/79/645150879.db2.gz HVYBQTCMNZGURU-UHFFFAOYSA-N 1 0 381.885 2.231 20 0 GEADRO O=c1oc2cc(F)c(Br)cc2n1CN1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000192160819 645196969 /nfs/dbraw/zinc/19/69/69/645196969.db2.gz ZXOSPXQMQKJZQF-LLVKDONJSA-N 1 0 382.233 2.400 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192344984 645200592 /nfs/dbraw/zinc/20/05/92/645200592.db2.gz AYYMFZYSSJJRDK-NSHDSACASA-N 1 0 386.246 2.198 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)N(C)Cc1cc(Br)cn1C ZINC000546039748 650989004 /nfs/dbraw/zinc/98/90/04/650989004.db2.gz AIARHYLGSYKIOA-UHFFFAOYSA-N 1 0 389.338 2.287 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1nc2c(s1)CCCC2)c1cccs1 ZINC000192499942 645210011 /nfs/dbraw/zinc/21/00/11/645210011.db2.gz ZPIULKVEIYMDSN-LBPRGKRZSA-N 1 0 378.523 2.441 20 0 GEADRO CN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC[NH+](C)CC1 ZINC000192656272 645218338 /nfs/dbraw/zinc/21/83/38/645218338.db2.gz NZULEBMIKKJUCL-AWEZNQCLSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000192844235 645225247 /nfs/dbraw/zinc/22/52/47/645225247.db2.gz FKPUYSQCFKSXNJ-GFCCVEGCSA-N 1 0 383.290 2.163 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ncc1Br ZINC000192923134 645230985 /nfs/dbraw/zinc/23/09/85/645230985.db2.gz QYUGVCWBSXJPEM-WCQYABFASA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000192933109 645232092 /nfs/dbraw/zinc/23/20/92/645232092.db2.gz AWMOOZGYADXFEY-GOEBONIOSA-N 1 0 386.587 2.182 20 0 GEADRO Cc1c2cc(Br)ccc2oc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000193094849 645240706 /nfs/dbraw/zinc/24/07/06/645240706.db2.gz LYHNINISERCVLN-UHFFFAOYSA-N 1 0 380.286 2.481 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000193098850 645241265 /nfs/dbraw/zinc/24/12/65/645241265.db2.gz SLVWZOIFIFTYQN-OAHLLOKOSA-N 1 0 387.318 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C[C@@H](CC(=O)NC[C@H](O)COc1ccccc1Br)C1CC[NH2+]CC1 ZINC000237467002 645432419 /nfs/dbraw/zinc/43/24/19/645432419.db2.gz BZXDWFGJKSUTRU-ZFWWWQNUSA-N 1 0 399.329 2.331 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000237453897 645432543 /nfs/dbraw/zinc/43/25/43/645432543.db2.gz UWFBXUGTVFPDAC-QWRGUYRKSA-N 1 0 398.248 2.138 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)[C@H](C)C[NH2+]1 ZINC000237474966 645433017 /nfs/dbraw/zinc/43/30/17/645433017.db2.gz CKAOMCZFTCTDAK-VXGBXAGGSA-N 1 0 387.933 2.239 20 0 GEADRO C[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)[C@H]1C[NH3+] ZINC000237496587 645433945 /nfs/dbraw/zinc/43/39/45/645433945.db2.gz LAVSHKZVRMJKHS-MNOVXSKESA-N 1 0 388.331 2.168 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237507031 645434558 /nfs/dbraw/zinc/43/45/58/645434558.db2.gz PQQRJGHLAAFLKK-GHMZBOCLSA-N 1 0 388.331 2.135 20 0 GEADRO C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1cc2c(cc1Br)OCCO2 ZINC000237611447 645438192 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COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000247667991 645515517 /nfs/dbraw/zinc/51/55/17/645515517.db2.gz YZDSEQAJZXQDIZ-DZGCQCFKSA-N 1 0 386.901 2.231 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000247667998 645515570 /nfs/dbraw/zinc/51/55/70/645515570.db2.gz YZDSEQAJZXQDIZ-ZFWWWQNUSA-N 1 0 386.901 2.231 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247773121 645518333 /nfs/dbraw/zinc/51/83/33/645518333.db2.gz PTLUBWFTWORJMO-HZSPNIEDSA-N 1 0 384.318 2.163 20 0 GEADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)NCCC[NH+]1CCCCC1 ZINC000247795231 645518997 /nfs/dbraw/zinc/51/89/97/645518997.db2.gz QXPNBBDAATYGNM-UHFFFAOYSA-N 1 0 387.933 2.001 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[C@H]1C ZINC000248403909 645523317 /nfs/dbraw/zinc/52/33/17/645523317.db2.gz ZGQNQFVPJAZPOF-QLFBSQMISA-N 1 0 388.555 2.326 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)CC[C@H]21 ZINC000248555155 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20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000249219643 645549960 /nfs/dbraw/zinc/54/99/60/645549960.db2.gz UHKXDIKYPHPZBT-DOMZBBRYSA-N 1 0 382.302 2.495 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1n[nH]cc1Br ZINC000547315420 651022116 /nfs/dbraw/zinc/02/21/16/651022116.db2.gz VSOYPDUNCGPMBS-WBMJQRKESA-N 1 0 392.301 2.492 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000249981474 645564014 /nfs/dbraw/zinc/56/40/14/645564014.db2.gz LJZLPZCDCZAYTD-PVSQZPHNSA-N 1 0 387.343 2.451 20 0 GEADRO CCC(CC)[C@H](CNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[NH+]1CCCC1 ZINC000252443675 645565341 /nfs/dbraw/zinc/56/53/41/645565341.db2.gz NUYFOIFYDUPELN-ZOBUZTSGSA-N 1 0 375.579 2.350 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252751242 645567749 /nfs/dbraw/zinc/56/77/49/645567749.db2.gz ABJMWNIOEYRGSP-QWRGUYRKSA-N 1 0 377.304 2.206 20 0 GEADRO C[NH+](C)Cc1ccc(CNc2ncc(I)cn2)cc1F ZINC000547328976 651023389 /nfs/dbraw/zinc/02/33/89/651023389.db2.gz BMNBYYGEQBHHAD-UHFFFAOYSA-N 1 0 386.212 2.894 20 0 GEADRO C[NH+](C)CCCN(C(=O)/C=C\Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000255670027 645584537 /nfs/dbraw/zinc/58/45/37/645584537.db2.gz PDWXWXBPOXQEEO-RCBBPTIPSA-N 1 0 382.551 2.260 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)c1cccc(Br)c1I ZINC000261592931 645588686 /nfs/dbraw/zinc/58/86/86/645588686.db2.gz WIOHCCPYQMANRW-LURJTMIESA-N 1 0 383.027 2.131 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000547400839 651025409 /nfs/dbraw/zinc/02/54/09/651025409.db2.gz OQIXGMDXAZLEKA-UHFFFAOYSA-N 1 0 382.302 2.123 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000261612976 645589977 /nfs/dbraw/zinc/58/99/77/645589977.db2.gz DXYFRECAIZJANS-VHSXEESVSA-N 1 0 384.832 2.068 20 0 GEADRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000261637309 645592541 /nfs/dbraw/zinc/59/25/41/645592541.db2.gz CHZZCRXPAJTXPJ-PSASIEDQSA-N 1 0 375.782 2.393 20 0 GEADRO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261757630 645597405 /nfs/dbraw/zinc/59/74/05/645597405.db2.gz FCHZFWOCPGBMSL-CYBMUJFWSA-N 1 0 384.229 2.488 20 0 GEADRO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261757631 645597536 /nfs/dbraw/zinc/59/75/36/645597536.db2.gz FCHZFWOCPGBMSL-ZDUSSCGKSA-N 1 0 384.229 2.488 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)cs1 ZINC000261757652 645597605 /nfs/dbraw/zinc/59/76/05/645597605.db2.gz FCRPWKIGNFZIOV-SNVBAGLBSA-N 1 0 386.237 2.077 20 0 GEADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CCC(=O)Nc1cccc(Br)c1 ZINC000261806222 645601319 /nfs/dbraw/zinc/60/13/19/645601319.db2.gz RZAJJIRNDBCXLW-HNNXBMFYSA-N 1 0 392.301 2.158 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261822058 645603635 /nfs/dbraw/zinc/60/36/35/645603635.db2.gz ASDMGFJHIMTWTI-DRZSPHRISA-N 1 0 389.315 2.206 20 0 GEADRO Cc1cc(NC(=O)CN(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)no1 ZINC000261823951 645603652 /nfs/dbraw/zinc/60/36/52/645603652.db2.gz SXFMMZFYELWQAL-INIZCTEOSA-N 1 0 395.257 2.017 20 0 GEADRO C[NH2+][C@H](C)Cc1noc(CS(=O)(=O)Cc2cccc(Br)c2)n1 ZINC000261826208 645603927 /nfs/dbraw/zinc/60/39/27/645603927.db2.gz QWZHHFODXGEHSW-SNVBAGLBSA-N 1 0 388.287 2.098 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC[C@H](n2cncn2)C1)c1ccc(Br)cc1 ZINC000261857047 645605970 /nfs/dbraw/zinc/60/59/70/645605970.db2.gz WMPFHZLDCQPKKI-HOCLYGCPSA-N 1 0 378.274 2.078 20 0 GEADRO COc1ccc([C@@H](O)CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261870189 645607275 /nfs/dbraw/zinc/60/72/75/645607275.db2.gz XTVFSCZOPXGUFP-WMZOPIPTSA-N 1 0 393.281 2.481 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC[C@H]1[NH3+] ZINC000261873141 645608059 /nfs/dbraw/zinc/60/80/59/645608059.db2.gz OJMDKOUJAXQEGP-SWLSCSKDSA-N 1 0 394.313 2.388 20 0 GEADRO Cn1cc([C@H]2CCN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)C2)cn1 ZINC000261882392 645608558 /nfs/dbraw/zinc/60/85/58/645608558.db2.gz ZGUQRIQMJBFNJM-SJCJKPOMSA-N 1 0 377.286 2.373 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)C1CCOCC1 ZINC000261886144 645609568 /nfs/dbraw/zinc/60/95/68/645609568.db2.gz VBWCLSSNMQCBOB-HZPDHXFCSA-N 1 0 383.286 2.103 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261907270 645610683 /nfs/dbraw/zinc/61/06/83/645610683.db2.gz XBACMLBWZQPCEM-GMTAPVOTSA-N 1 0 388.331 2.215 20 0 GEADRO C[NH2+][C@H](C)Cc1noc(-c2sccc2S(=O)(=O)NCc2cccs2)n1 ZINC000261907422 645611009 /nfs/dbraw/zinc/61/10/09/645611009.db2.gz ZICQQHWGYJVTNF-SNVBAGLBSA-N 1 0 398.535 2.489 20 0 GEADRO Brc1cccc(-c2c[nH]c(CN3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262123669 645618369 /nfs/dbraw/zinc/61/83/69/645618369.db2.gz MPTCPTYXVDTEKL-MRXNPFEDSA-N 1 0 390.329 2.319 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)ccc2s1 ZINC000262122724 645618473 /nfs/dbraw/zinc/61/84/73/645618473.db2.gz VVLNQYZOOYXLJW-BXUZGUMPSA-N 1 0 382.507 2.436 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)c2cccc(Br)c2Cl)CCC[NH2+]1 ZINC000262229771 645621098 /nfs/dbraw/zinc/62/10/98/645621098.db2.gz GSISYZSDTBBBMS-ZDUSSCGKSA-N 1 0 397.722 2.149 20 0 GEADRO C[C@@H](NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000262246873 645622368 /nfs/dbraw/zinc/62/23/68/645622368.db2.gz SFRBDWCJJZQOJT-SNVBAGLBSA-N 1 0 379.309 2.337 20 0 GEADRO C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000262250312 645622621 /nfs/dbraw/zinc/62/26/21/645622621.db2.gz SNLFVJMCCRKJEN-GFCCVEGCSA-N 1 0 394.313 2.482 20 0 GEADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NCCCC[NH3+] ZINC000262278373 645623776 /nfs/dbraw/zinc/62/37/76/645623776.db2.gz WFBDZUROJNUSFN-OAHLLOKOSA-N 1 0 399.333 2.272 20 0 GEADRO COc1cc(I)c(Cl)cc1CNC1=[NH+]CCCN1 ZINC000262451475 645630389 /nfs/dbraw/zinc/63/03/89/645630389.db2.gz ZPHNPTCBYTXLIP-UHFFFAOYSA-N 1 0 379.629 2.392 20 0 GEADRO C[C@H](C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1C[NH2+]C1 ZINC000262470486 645631881 /nfs/dbraw/zinc/63/18/81/645631881.db2.gz YFEDGBHQVQIWIK-CABZTGNLSA-N 1 0 376.810 2.304 20 0 GEADRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000262488544 645633060 /nfs/dbraw/zinc/63/30/60/645633060.db2.gz VZCOPYXVYNEGMS-QWRGUYRKSA-N 1 0 383.290 2.005 20 0 GEADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000262520807 645635093 /nfs/dbraw/zinc/63/50/93/645635093.db2.gz WQRWXNZLWUZCBR-MRXNPFEDSA-N 1 0 382.346 2.429 20 0 GEADRO C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000262516829 645635176 /nfs/dbraw/zinc/63/51/76/645635176.db2.gz KFKUBPMQDXLXSH-MFKMUULPSA-N 1 0 395.257 2.055 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000262544376 645636490 /nfs/dbraw/zinc/63/64/90/645636490.db2.gz JSENGGSQPJLDJN-OAHLLOKOSA-N 1 0 379.551 2.092 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262568772 645637242 /nfs/dbraw/zinc/63/72/42/645637242.db2.gz FUFLRGSCODUOHQ-LSDHHAIUSA-N 1 0 384.567 2.467 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000262580860 645637743 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C[NH+](C)[C@@]1(CNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CCSC1 ZINC000267118345 645884471 /nfs/dbraw/zinc/88/44/71/645884471.db2.gz OYDJVKJXOLPURW-QGZVFWFLSA-N 1 0 382.917 2.037 20 0 GEADRO COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267284144 645895069 /nfs/dbraw/zinc/89/50/69/645895069.db2.gz HKWSZRIREMULLE-QGZVFWFLSA-N 1 0 385.917 2.149 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CCSC1 ZINC000267408508 645900096 /nfs/dbraw/zinc/90/00/96/645900096.db2.gz XXMZSTGGVUHSHJ-OAHLLOKOSA-N 1 0 377.844 2.110 20 0 GEADRO CS[C@@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000547950222 651058175 /nfs/dbraw/zinc/05/81/75/651058175.db2.gz ORCDMYCRXSVMIK-JKSUJKDBSA-N 1 0 381.929 2.108 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000267891320 645931505 /nfs/dbraw/zinc/93/15/05/645931505.db2.gz IRPULBDRWKWHHY-ZYHUDNBSSA-N 1 0 396.285 2.138 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1Br ZINC000268187360 645951242 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C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000268852166 646000154 /nfs/dbraw/zinc/00/01/54/646000154.db2.gz HLCXKODSYSDTIT-LBPRGKRZSA-N 1 0 387.293 2.340 20 0 GEADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000269123403 646018192 /nfs/dbraw/zinc/01/81/92/646018192.db2.gz VJXIMVRVIATLFU-MRXNPFEDSA-N 1 0 382.551 2.450 20 0 GEADRO C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000269192432 646021488 /nfs/dbraw/zinc/02/14/88/646021488.db2.gz KWABEUIXGQSBPQ-OCCSQVGLSA-N 1 0 382.302 2.073 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]([NH3+])C(C)C)ccc1Cl ZINC000269278277 646024303 /nfs/dbraw/zinc/02/43/03/646024303.db2.gz PPZDHUKSEFNMGV-AWEZNQCLSA-N 1 0 375.922 2.084 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c(F)c1Cl ZINC000269373480 646031775 /nfs/dbraw/zinc/03/17/75/646031775.db2.gz UVSFMZGUZZYDKS-SNVBAGLBSA-N 1 0 395.859 2.291 20 0 GEADRO CCOCCOc1ccc(Br)cc1CNC[C@](C)(O)C[NH+](C)C ZINC000269819517 646063276 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Cc1cc(N2CCC[C@H]([NH2+]Cc3c(Br)c(C)nn3C)C2)n(C)n1 ZINC000279214126 646584360 /nfs/dbraw/zinc/58/43/60/646584360.db2.gz WMCYJWYBKUKPKD-ZDUSSCGKSA-N 1 0 381.322 2.292 20 0 GEADRO Cc1nn(C)c(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1Br ZINC000279231245 646586099 /nfs/dbraw/zinc/58/60/99/646586099.db2.gz YRPLHOCCCDCNQD-INIZCTEOSA-N 1 0 393.329 2.347 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000279389598 646597191 /nfs/dbraw/zinc/59/71/91/646597191.db2.gz ABFZILTVEKZNNU-HIFRSBDPSA-N 1 0 385.555 2.167 20 0 GEADRO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000279544446 646609427 /nfs/dbraw/zinc/60/94/27/646609427.db2.gz ARTKCQDQOOUMEJ-GFCCVEGCSA-N 1 0 385.306 2.315 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000279556888 646610560 /nfs/dbraw/zinc/61/05/60/646610560.db2.gz RJTBPVBEHNUKLS-UHFFFAOYSA-N 1 0 390.272 2.485 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000279661815 646620296 /nfs/dbraw/zinc/62/02/96/646620296.db2.gz CLPHLIKNEPMRRZ-UHFFFAOYSA-N 1 0 390.228 2.268 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)c1ccnc(Cl)c1I ZINC000279795084 646628016 /nfs/dbraw/zinc/62/80/16/646628016.db2.gz DPIWENOKTZBIMK-UHFFFAOYSA-N 1 0 391.640 2.331 20 0 GEADRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280020360 646645696 /nfs/dbraw/zinc/64/56/96/646645696.db2.gz HKIORHRFHJHSLH-OUAUKWLOSA-N 1 0 397.324 2.485 20 0 GEADRO CC(C)NC(=O)CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280170933 646658597 /nfs/dbraw/zinc/65/85/97/646658597.db2.gz RDEFPWPGLWQFCP-SECBINFHSA-N 1 0 382.313 2.206 20 0 GEADRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280216613 646663690 /nfs/dbraw/zinc/66/36/90/646663690.db2.gz ULICZTHFDDZGHW-SECBINFHSA-N 1 0 396.340 2.454 20 0 GEADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ncn(C)c1Cl ZINC000280321147 646671044 /nfs/dbraw/zinc/67/10/44/646671044.db2.gz PHVZMLUTZHIAAH-UKRRQHHQSA-N 1 0 380.901 2.379 20 0 GEADRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280416230 646679654 /nfs/dbraw/zinc/67/96/54/646679654.db2.gz ACMQRHOQDHMOCX-QWRGUYRKSA-N 1 0 387.303 2.032 20 0 GEADRO CC[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280445402 646683363 /nfs/dbraw/zinc/68/33/63/646683363.db2.gz CYCMDMLNSBEVJB-UKRRQHHQSA-N 1 0 378.947 2.157 20 0 GEADRO C[C@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000280455935 646684092 /nfs/dbraw/zinc/68/40/92/646684092.db2.gz GRRIRTSKPHBJRL-AWEZNQCLSA-N 1 0 398.349 2.184 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCCn1cc(Br)cn1 ZINC000280459428 646684147 /nfs/dbraw/zinc/68/41/47/646684147.db2.gz SFRXOVVOLFROQV-UKRRQHHQSA-N 1 0 386.338 2.407 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000280475664 646685699 /nfs/dbraw/zinc/68/56/99/646685699.db2.gz UKYBJFSFFRCAKU-ZDUSSCGKSA-N 1 0 387.571 2.413 20 0 GEADRO CC[NH+](CC)CCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280520671 646690505 /nfs/dbraw/zinc/69/05/05/646690505.db2.gz GCSBZRWSVPPRBB-NSHDSACASA-N 1 0 378.336 2.089 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCCn3cc(Br)cn3)[C@@H]2C1 ZINC000280520619 646690618 /nfs/dbraw/zinc/69/06/18/646690618.db2.gz XPVBLOPJXDVETN-DZGCQCFKSA-N 1 0 384.322 2.161 20 0 GEADRO CCOc1cc(C[NH2+]CCF)cc(Br)c1OCC(=O)N(C)C ZINC000280590819 646696450 /nfs/dbraw/zinc/69/64/50/646696450.db2.gz BEXFJVOHGBOJDD-UHFFFAOYSA-N 1 0 377.254 2.374 20 0 GEADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)C1 ZINC000280748179 646712470 /nfs/dbraw/zinc/71/24/70/646712470.db2.gz DOLDDLIASVLAMT-ZFWWWQNUSA-N 1 0 387.933 2.300 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)s1 ZINC000280760665 646714144 /nfs/dbraw/zinc/71/41/44/646714144.db2.gz CPTYXNHMFMVRQC-AWEZNQCLSA-N 1 0 387.571 2.319 20 0 GEADRO CCC[N@H+](CC)CCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280794423 646717395 /nfs/dbraw/zinc/71/73/95/646717395.db2.gz UFCWPEFGFVPNDD-LBPRGKRZSA-N 1 0 392.363 2.479 20 0 GEADRO C[C@@H](CNC(=O)NCCCCn1cc(Br)cn1)C[NH+]1CCCC1 ZINC000280835014 646722892 /nfs/dbraw/zinc/72/28/92/646722892.db2.gz OOXRBMNHODWABT-AWEZNQCLSA-N 1 0 386.338 2.457 20 0 GEADRO C[C@H](CNC(=O)NCCCCn1cc(Br)cn1)C[NH+]1CCCC1 ZINC000280835016 646723018 /nfs/dbraw/zinc/72/30/18/646723018.db2.gz OOXRBMNHODWABT-CQSZACIVSA-N 1 0 386.338 2.457 20 0 GEADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000281073418 646743453 /nfs/dbraw/zinc/74/34/53/646743453.db2.gz KWFQUHALLMAAQM-INIZCTEOSA-N 1 0 379.258 2.457 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000281098871 646745796 /nfs/dbraw/zinc/74/57/96/646745796.db2.gz CQBDVFNZNMNWMM-NSHDSACASA-N 1 0 395.301 2.243 20 0 GEADRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000281170448 646750978 /nfs/dbraw/zinc/75/09/78/646750978.db2.gz QGVANOYSHYNTOW-INIZCTEOSA-N 1 0 375.803 2.338 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000281188902 646752769 /nfs/dbraw/zinc/75/27/69/646752769.db2.gz KDDQUNPLHBDMRD-XQQFMLRXSA-N 1 0 387.933 2.084 20 0 GEADRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C1 ZINC000281229002 646756257 /nfs/dbraw/zinc/75/62/57/646756257.db2.gz MDLPLMCPEHQCNX-DLBZAZTESA-N 1 0 383.583 2.384 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281765817 646797362 /nfs/dbraw/zinc/79/73/62/646797362.db2.gz QNKKSORLQHFGBN-UHFFFAOYSA-N 1 0 377.432 2.340 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000281873967 646799504 /nfs/dbraw/zinc/79/95/04/646799504.db2.gz CUGRGJTVBPQXQW-UHFFFAOYSA-N 1 0 392.547 2.251 20 0 GEADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000281906174 646802224 /nfs/dbraw/zinc/80/22/24/646802224.db2.gz OONJNRGWKRQCBL-OAHLLOKOSA-N 1 0 385.917 2.078 20 0 GEADRO CC[N@H+](CCOCCO)CCC(=O)Nc1ccc(Br)cc1F ZINC000281919827 646803220 /nfs/dbraw/zinc/80/32/20/646803220.db2.gz CRHGADOEAGNOBR-UHFFFAOYSA-N 1 0 377.254 2.248 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000281965792 646806764 /nfs/dbraw/zinc/80/67/64/646806764.db2.gz NKRDVWICEJLANH-GFCCVEGCSA-N 1 0 379.917 2.475 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000281992742 646809029 /nfs/dbraw/zinc/80/90/29/646809029.db2.gz PQHXTDZTMYOIBH-XJKSGUPXSA-N 1 0 381.929 2.443 20 0 GEADRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000284201029 646835058 /nfs/dbraw/zinc/83/50/58/646835058.db2.gz BTGALLUBYKCHBP-CORIIIEPSA-N 1 0 379.469 2.492 20 0 GEADRO COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)nn1 ZINC000284233041 646836771 /nfs/dbraw/zinc/83/67/71/646836771.db2.gz DOGKJFGSQWRYSV-JTQLQIEISA-N 1 0 383.246 2.187 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2ccsc2Br)CCCC1 ZINC000284632792 646842541 /nfs/dbraw/zinc/84/25/41/646842541.db2.gz YZBKDWVPEWILBC-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000284952118 646847340 /nfs/dbraw/zinc/84/73/40/646847340.db2.gz ZJLBLMMLZRSEJG-ZJUUUORDSA-N 1 0 378.420 2.337 20 0 GEADRO CCCCOCCNC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000286534388 646872406 /nfs/dbraw/zinc/87/24/06/646872406.db2.gz NXAJVUZPHDMRRI-QGZVFWFLSA-N 1 0 387.318 2.179 20 0 GEADRO O=c1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)nc2ccc(Cl)cn12 ZINC000286540655 646872885 /nfs/dbraw/zinc/87/28/85/646872885.db2.gz OEHUPXMFLRWGOE-ZWNOBZJWSA-N 1 0 375.778 2.341 20 0 GEADRO C[C@@](CO)([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(Br)cc1 ZINC000286772872 646874911 /nfs/dbraw/zinc/87/49/11/646874911.db2.gz ZZCJQGUUXIVXKV-HNNXBMFYSA-N 1 0 376.316 2.071 20 0 GEADRO C[NH+]1CCN(Cc2ccc(C(=O)NCC(F)(F)Br)cc2)CC1 ZINC000286834239 646877054 /nfs/dbraw/zinc/87/70/54/646877054.db2.gz WJHNNCHVCMNTLF-UHFFFAOYSA-N 1 0 376.245 2.152 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000287378897 646886034 /nfs/dbraw/zinc/88/60/34/646886034.db2.gz OKXIQSJZGRLPAL-UHFFFAOYSA-N 1 0 391.896 2.075 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Br)s1)[N@H+](C)C1CC1 ZINC000287929224 646901618 /nfs/dbraw/zinc/90/16/18/646901618.db2.gz PJONGOULWVAMPZ-SNVBAGLBSA-N 1 0 388.331 2.068 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCCOCC1 ZINC000289393002 646932733 /nfs/dbraw/zinc/93/27/33/646932733.db2.gz FGZQRIOSBMVIFP-AWEZNQCLSA-N 1 0 384.318 2.478 20 0 GEADRO O=C(c1c[nH]c2cccc(Br)c12)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289731833 647170355 /nfs/dbraw/zinc/17/03/55/647170355.db2.gz GSJSVWNXCXEHNE-LBPRGKRZSA-N 1 0 377.286 2.050 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)cc3F)C2)C1 ZINC000292147209 647181135 /nfs/dbraw/zinc/18/11/35/647181135.db2.gz ZQOUEOGKKSADQO-CQSZACIVSA-N 1 0 377.279 2.305 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000292187100 647184908 /nfs/dbraw/zinc/18/49/08/647184908.db2.gz ZPDSRVKOGZAHAD-ZJUUUORDSA-N 1 0 376.404 2.186 20 0 GEADRO Cn1ncc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1I ZINC000293626469 647216580 /nfs/dbraw/zinc/21/65/80/647216580.db2.gz GDRVNTYZFFGLIF-NSHDSACASA-N 1 0 392.285 2.121 20 0 GEADRO O=C(CCc1cccc(F)c1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295446093 647232289 /nfs/dbraw/zinc/23/22/89/647232289.db2.gz LRYAJSFGWSQHMT-AWEZNQCLSA-N 1 0 387.293 2.484 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296122930 647242501 /nfs/dbraw/zinc/24/25/01/647242501.db2.gz IIHWGDYKISLUED-YOGCLGLASA-N 1 0 396.285 2.138 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H]2CCSc3ccc(Br)cc32)C1 ZINC000296252171 647249042 /nfs/dbraw/zinc/24/90/42/647249042.db2.gz CYQRFILVCXVNPG-GXTWGEPZSA-N 1 0 392.340 2.125 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CCC1 ZINC000297091691 647260728 /nfs/dbraw/zinc/26/07/28/647260728.db2.gz ZXUHDVWUEJXFPQ-UHFFFAOYSA-N 1 0 387.933 2.287 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)NC[C@H](C)C[NH+]2CCCC2)C(F)(F)F)n1 ZINC000299372227 647272030 /nfs/dbraw/zinc/27/20/30/647272030.db2.gz INEBHAUJZJKYTJ-NHYWBVRUSA-N 1 0 379.448 2.440 20 0 GEADRO Cn1nnc(Br)c1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310468260 647280721 /nfs/dbraw/zinc/28/07/21/647280721.db2.gz AMCXGYXMOFLDFQ-AWEZNQCLSA-N 1 0 392.301 2.220 20 0 GEADRO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000311233890 647281330 /nfs/dbraw/zinc/28/13/30/647281330.db2.gz RZSRPTLKVUBOOJ-CQSZACIVSA-N 1 0 377.551 2.084 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000317425654 647285679 /nfs/dbraw/zinc/28/56/79/647285679.db2.gz LATSAZZAUQRMNC-LLVKDONJSA-N 1 0 392.275 2.072 20 0 GEADRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000323533881 647297787 /nfs/dbraw/zinc/29/77/87/647297787.db2.gz NWUUUEFRQKKMDA-NSHDSACASA-N 1 0 383.246 2.453 20 0 GEADRO COc1ccc(Br)cc1CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000325179016 647302803 /nfs/dbraw/zinc/30/28/03/647302803.db2.gz BBZOANQYZIPHGY-YVEFUNNKSA-N 1 0 396.285 2.397 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CN2CCC[C@H]2CO1)COc1ccc(Cl)cc1Cl ZINC000325859292 647304047 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CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000416417803 648120267 /nfs/dbraw/zinc/12/02/67/648120267.db2.gz OVPPICJSUUXODB-ZIAGYGMSSA-N 1 0 387.933 2.159 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000416417800 648120412 /nfs/dbraw/zinc/12/04/12/648120412.db2.gz OVPPICJSUUXODB-KBPBESRZSA-N 1 0 387.933 2.159 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)c(OC)c2)CC1 ZINC000416496099 648149110 /nfs/dbraw/zinc/14/91/10/648149110.db2.gz NSZYTUPRERGVPB-UHFFFAOYSA-N 1 0 389.949 2.043 20 0 GEADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)s1 ZINC000416505851 648153312 /nfs/dbraw/zinc/15/33/12/648153312.db2.gz CNMCDYCXVDMHGA-UHFFFAOYSA-N 1 0 389.587 2.071 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416506058 648153371 /nfs/dbraw/zinc/15/33/71/648153371.db2.gz DNASXDSNOWAGRC-UHFFFAOYSA-N 1 0 382.404 2.111 20 0 GEADRO COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416552844 648169373 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Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000416837660 648214489 /nfs/dbraw/zinc/21/44/89/648214489.db2.gz XQIXHYGECGCROD-GFCCVEGCSA-N 1 0 397.317 2.465 20 0 GEADRO COc1ccc([C@H](C)NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1Br ZINC000416891640 648215481 /nfs/dbraw/zinc/21/54/81/648215481.db2.gz NRHWSBLNTDOWCR-WCQYABFASA-N 1 0 386.290 2.278 20 0 GEADRO COCC1(CNC(=O)NCc2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000417076672 648224006 /nfs/dbraw/zinc/22/40/06/648224006.db2.gz WNHMWFGGFVQZJC-UHFFFAOYSA-N 1 0 388.281 2.404 20 0 GEADRO CC(C)(CNC(=O)NCCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000417122078 648225981 /nfs/dbraw/zinc/22/59/81/648225981.db2.gz JSJINNBTIFJYAD-UHFFFAOYSA-N 1 0 397.361 2.321 20 0 GEADRO C[C@@H](NC(=O)N1CCC([NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000417180360 648229292 /nfs/dbraw/zinc/22/92/92/648229292.db2.gz OENRIDHZUKWQPX-SNVBAGLBSA-N 1 0 384.274 2.414 20 0 GEADRO [NH3+]C1(CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCCCCC1 ZINC000417216322 648233117 /nfs/dbraw/zinc/23/31/17/648233117.db2.gz BAKWOFHROXDDJP-UHFFFAOYSA-N 1 0 387.933 2.465 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cn4cc(Br)ccc4n3)C[C@H]21 ZINC000417215575 648233125 /nfs/dbraw/zinc/23/31/25/648233125.db2.gz IMUXCLJUXPJYGQ-NILFDRSVSA-N 1 0 392.301 2.366 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417221448 648233632 /nfs/dbraw/zinc/23/36/32/648233632.db2.gz OUDLJFGZFORKMR-SMDDNHRTSA-N 1 0 380.290 2.414 20 0 GEADRO O=C(NCc1cn2cc(Br)ccc2n1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417218702 648233769 /nfs/dbraw/zinc/23/37/69/648233769.db2.gz LPABDZOBJYJTOK-FUNVUKJBSA-N 1 0 378.274 2.179 20 0 GEADRO C[C@@]1(CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000417230476 648235600 /nfs/dbraw/zinc/23/56/00/648235600.db2.gz WJRNDGZKMUOGLQ-QGZVFWFLSA-N 1 0 397.317 2.467 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417231365 648235651 /nfs/dbraw/zinc/23/56/51/648235651.db2.gz YBCASHURLQQQFK-NEPJUHHUSA-N 1 0 383.290 2.156 20 0 GEADRO [NH3+][C@H](CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000417259173 648236885 /nfs/dbraw/zinc/23/68/85/648236885.db2.gz GIRZZYUIAFTKGT-MLGOLLRUSA-N 1 0 381.318 2.312 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417297647 648238253 /nfs/dbraw/zinc/23/82/53/648238253.db2.gz IYZUUOMVJCSZCK-GFCCVEGCSA-N 1 0 384.274 2.114 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417297986 648238364 /nfs/dbraw/zinc/23/83/64/648238364.db2.gz JYVYVRJDXVYOIN-PWSUYJOCSA-N 1 0 384.274 2.099 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417298269 648238599 /nfs/dbraw/zinc/23/85/99/648238599.db2.gz KSDGHFOQOMNDNZ-AAEUAGOBSA-N 1 0 398.301 2.489 20 0 GEADRO C[C@@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C[NH3+] ZINC000417304336 648238720 /nfs/dbraw/zinc/23/87/20/648238720.db2.gz UEJIEPBSWDHAKL-YPMHNXCESA-N 1 0 398.301 2.347 20 0 GEADRO O=C(NCc1c(F)cccc1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417348170 648240024 /nfs/dbraw/zinc/24/00/24/648240024.db2.gz IQDMDBWLHGUPAF-CYBMUJFWSA-N 1 0 382.789 2.114 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417368231 648241030 /nfs/dbraw/zinc/24/10/30/648241030.db2.gz NUMQUPBMIIXPLU-ZDUSSCGKSA-N 1 0 397.317 2.385 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000417370473 648241571 /nfs/dbraw/zinc/24/15/71/648241571.db2.gz SRZZUMOHRHUJHA-ZDUSSCGKSA-N 1 0 383.290 2.219 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)NCc2cc(Br)c(OC)c(OC)c2)C1 ZINC000417375172 648241853 /nfs/dbraw/zinc/24/18/53/648241853.db2.gz LVMVEOORELGHKR-GFCCVEGCSA-N 1 0 386.290 2.360 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc(Br)c1OC ZINC000417379142 648242478 /nfs/dbraw/zinc/24/24/78/648242478.db2.gz SFNZJRJDWNGESZ-MFKMUULPSA-N 1 0 386.290 2.345 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc(Br)c1OC ZINC000417379900 648242492 /nfs/dbraw/zinc/24/24/92/648242492.db2.gz TZNAXIVVEZYJRF-MFKMUULPSA-N 1 0 386.290 2.264 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc(Br)c1OC ZINC000417383233 648242860 /nfs/dbraw/zinc/24/28/60/648242860.db2.gz YOZCRSPHVKJNJX-JQWIXIFHSA-N 1 0 386.290 2.406 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)NCCc1ccc(I)s1 ZINC000417438600 648245888 /nfs/dbraw/zinc/24/58/88/648245888.db2.gz JVCWTYGKELVINL-VIFPVBQESA-N 1 0 381.283 2.050 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417476122 648247660 /nfs/dbraw/zinc/24/76/60/648247660.db2.gz CNPKAHNAGTUEFG-SQWLQELKSA-N 1 0 393.329 2.279 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)[C@H]1C ZINC000417477693 648247818 /nfs/dbraw/zinc/24/78/18/648247818.db2.gz GWNAVQGGCQQNKF-YDHLFZDLSA-N 1 0 381.318 2.420 20 0 GEADRO CN(C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CC[NH2+]CC1 ZINC000417478083 648248236 /nfs/dbraw/zinc/24/82/36/648248236.db2.gz HXXLTBFKGFXASU-CQSZACIVSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C[NH2+]1 ZINC000417482714 648249099 /nfs/dbraw/zinc/24/90/99/648249099.db2.gz QAKBNNANGODLOB-VNHYZAJKSA-N 1 0 381.318 2.420 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417492287 648250250 /nfs/dbraw/zinc/25/02/50/648250250.db2.gz UWQVMUGTGCWIMD-NHYWBVRUSA-N 1 0 397.317 2.383 20 0 GEADRO C[C@H](C[NH3+])NC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417595254 648254611 /nfs/dbraw/zinc/25/46/11/648254611.db2.gz NRBLSHODOIZIRM-LLVKDONJSA-N 1 0 376.320 2.208 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417599083 648255047 /nfs/dbraw/zinc/25/50/47/648255047.db2.gz HFZAUVDOEYOSMF-KGLIPLIRSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)[C@H](C)C[NH2+]1 ZINC000417601779 648255445 /nfs/dbraw/zinc/25/54/45/648255445.db2.gz MQVPTHMBHDWEOD-MGPQQGTHSA-N 1 0 381.318 2.420 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417721165 648258973 /nfs/dbraw/zinc/25/89/73/648258973.db2.gz FPMWFVBMEGQHCX-UHFFFAOYSA-N 1 0 395.305 2.361 20 0 GEADRO CC[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)Cc1cccc(Br)c1 ZINC000417733660 648260350 /nfs/dbraw/zinc/26/03/50/648260350.db2.gz YDJCHFJEKKWZFJ-RHSMWYFYSA-N 1 0 397.361 2.221 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417739697 648260938 /nfs/dbraw/zinc/26/09/38/648260938.db2.gz WZGNWJFLSDSUPU-ZDUSSCGKSA-N 1 0 393.289 2.128 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000417834548 648262923 /nfs/dbraw/zinc/26/29/23/648262923.db2.gz KERYSJIKRROYMP-NSHDSACASA-N 1 0 395.718 2.228 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417870522 648263526 /nfs/dbraw/zinc/26/35/26/648263526.db2.gz IKNYXBKYXKJUNG-KOLCDFICSA-N 1 0 379.814 2.227 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417871818 648264038 /nfs/dbraw/zinc/26/40/38/648264038.db2.gz JAJXBQASGUZCPP-UHFFFAOYSA-N 1 0 397.253 2.299 20 0 GEADRO C[NH2+]CCCNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417873586 648264115 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C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000417983487 648268220 /nfs/dbraw/zinc/26/82/20/648268220.db2.gz FQEBYTUMBOROIG-UEKVPHQBSA-N 1 0 385.295 2.477 20 0 GEADRO C[NH2+]CCCNC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000418007271 648269096 /nfs/dbraw/zinc/26/90/96/648269096.db2.gz GADWCYACODVDAG-HNNXBMFYSA-N 1 0 397.317 2.162 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)nc12 ZINC000418015870 648269978 /nfs/dbraw/zinc/26/99/78/648269978.db2.gz FFDUXZIBVKSWSJ-IAQYHMDHSA-N 1 0 394.317 2.245 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)nc12 ZINC000418026078 648271706 /nfs/dbraw/zinc/27/17/06/648271706.db2.gz VRYUUHZWSLHZMT-DGCLKSJQSA-N 1 0 380.290 2.332 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@@H]([NH3+])C3)nc12 ZINC000418028733 648272319 /nfs/dbraw/zinc/27/23/19/648272319.db2.gz YSRFZTOIPBQLCT-CYBMUJFWSA-N 1 0 380.290 2.080 20 0 GEADRO OC1(CC[NH2+]Cc2ccc(F)cc2I)CCOCC1 ZINC000418050597 648273729 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C[C@@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418341215 648293778 /nfs/dbraw/zinc/29/37/78/648293778.db2.gz LXSCOEJBHHMOHD-NEPJUHHUSA-N 1 0 383.290 2.075 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000418344296 648294078 /nfs/dbraw/zinc/29/40/78/648294078.db2.gz AXUZJCLFBFEWFF-ZFWWWQNUSA-N 1 0 399.276 2.227 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418355682 648294374 /nfs/dbraw/zinc/29/43/74/648294374.db2.gz XDEOSBQIMIFCMF-CHWSQXEVSA-N 1 0 390.311 2.422 20 0 GEADRO [NH3+]C1CCC(NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000418376878 648295346 /nfs/dbraw/zinc/29/53/46/648295346.db2.gz ASIAFMMEVKWBDB-JEYLPNPQSA-N 1 0 384.318 2.169 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC1CCC([NH3+])CC1 ZINC000418409725 648297083 /nfs/dbraw/zinc/29/70/83/648297083.db2.gz VRMALLUJAHMANA-JEYLPNPQSA-N 1 0 398.345 2.478 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418405358 648297101 /nfs/dbraw/zinc/29/71/01/648297101.db2.gz KYNFDIMJUIYVBZ-XJKSGUPXSA-N 1 0 386.334 2.191 20 0 GEADRO CCC[NH2+]CCNC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000418476229 648297273 /nfs/dbraw/zinc/29/72/73/648297273.db2.gz SFMOPNJNQLUITA-UHFFFAOYSA-N 1 0 380.539 2.430 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418410259 648297303 /nfs/dbraw/zinc/29/73/03/648297303.db2.gz PDEXDJCXUGCUPW-IAQYHMDHSA-N 1 0 390.297 2.022 20 0 GEADRO O=C(NCC1C[NH2+]C1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418486371 648297777 /nfs/dbraw/zinc/29/77/77/648297777.db2.gz JFZIZWFLZPEIOM-CQSZACIVSA-N 1 0 379.810 2.037 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418492569 648298384 /nfs/dbraw/zinc/29/83/84/648298384.db2.gz PRIIWERFEFTHOF-LBPRGKRZSA-N 1 0 397.317 2.404 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000418492421 648298397 /nfs/dbraw/zinc/29/83/97/648298397.db2.gz VEJIBOPWLXQCEO-ZDUSSCGKSA-N 1 0 381.318 2.057 20 0 GEADRO C[C@@]1(CNC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CCC[NH2+]C1 ZINC000418535382 648300578 /nfs/dbraw/zinc/30/05/78/648300578.db2.gz HDVAPANKNZTOFY-MAUKXSAKSA-N 1 0 398.345 2.289 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418535510 648300580 /nfs/dbraw/zinc/30/05/80/648300580.db2.gz ZEXIARLSPDJOPW-LLVKDONJSA-N 1 0 375.336 2.075 20 0 GEADRO C[C@@]1(CNC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CCC[NH2+]C1 ZINC000418535381 648300620 /nfs/dbraw/zinc/30/06/20/648300620.db2.gz HDVAPANKNZTOFY-CRAIPNDOSA-N 1 0 398.345 2.289 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418585759 648303193 /nfs/dbraw/zinc/30/31/93/648303193.db2.gz PPDAKQSHRDLJEH-BPUTZDHNSA-N 1 0 398.345 2.478 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418586290 648303232 /nfs/dbraw/zinc/30/32/32/648303232.db2.gz FIJXSZJSUJGGIB-ZYHUDNBSSA-N 1 0 376.320 2.013 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418598989 648304120 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Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)N[C@@H](C)CCC[NH3+] ZINC000418712306 648308003 /nfs/dbraw/zinc/30/80/03/648308003.db2.gz VDDMFEDBINOIBT-GXTWGEPZSA-N 1 0 386.334 2.335 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000418757945 648309658 /nfs/dbraw/zinc/30/96/58/648309658.db2.gz GOEDUHTVLYTMOH-LRDDRELGSA-N 1 0 377.897 2.427 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1)C1CC1 ZINC000418754778 648309670 /nfs/dbraw/zinc/30/96/70/648309670.db2.gz CBAUHXNPQHXBOF-GOEBONIOSA-N 1 0 377.897 2.461 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418766289 648310497 /nfs/dbraw/zinc/31/04/97/648310497.db2.gz PPDHRGSCHGCRAA-INIZCTEOSA-N 1 0 383.334 2.273 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000418768779 648311461 /nfs/dbraw/zinc/31/14/61/648311461.db2.gz SMPUEMRAJVYXLF-BBRMVZONSA-N 1 0 399.308 2.338 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000418772750 648311841 /nfs/dbraw/zinc/31/18/41/648311841.db2.gz SXDZFBLANHYFTE-JTQLQIEISA-N 1 0 388.693 2.159 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000418843361 648316734 /nfs/dbraw/zinc/31/67/34/648316734.db2.gz JUHHTUCMWIJFNI-CHWSQXEVSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000418847884 648316977 /nfs/dbraw/zinc/31/69/77/648316977.db2.gz WVECOUFCPBGZHT-ZDUSSCGKSA-N 1 0 396.329 2.274 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000418853631 648317891 /nfs/dbraw/zinc/31/78/91/648317891.db2.gz SNVPZFMXDMLUSI-AXFHLTTASA-N 1 0 388.270 2.378 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000418856529 648318604 /nfs/dbraw/zinc/31/86/04/648318604.db2.gz XBTPUUOJVZGMRL-KGYLQXTDSA-N 1 0 388.295 2.135 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC000418856994 648318634 /nfs/dbraw/zinc/31/86/34/648318634.db2.gz QURFAIWHDZNZIO-AWEZNQCLSA-N 1 0 386.323 2.260 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc(Br)cn1 ZINC000418868442 648319981 /nfs/dbraw/zinc/31/99/81/648319981.db2.gz PSDALADFLCAUCP-IAQYHMDHSA-N 1 0 397.317 2.045 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418940730 648323316 /nfs/dbraw/zinc/32/33/16/648323316.db2.gz UCDNZGAMUNFKDC-MRXNPFEDSA-N 1 0 394.313 2.056 20 0 GEADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418946346 648323694 /nfs/dbraw/zinc/32/36/94/648323694.db2.gz OJHGSAXFGJQBAJ-WBMJQRKESA-N 1 0 394.313 2.132 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000418944697 648323798 /nfs/dbraw/zinc/32/37/98/648323798.db2.gz OMAQEJSVCSCILK-PVXIVEMSSA-N 1 0 384.307 2.238 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)CCC1 ZINC000418947785 648324029 /nfs/dbraw/zinc/32/40/29/648324029.db2.gz AAULLINWNFRUQS-UHFFFAOYSA-N 1 0 383.279 2.131 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000418948736 648324378 /nfs/dbraw/zinc/32/43/78/648324378.db2.gz QOFQVMLRYQFUCQ-HZPDHXFCSA-N 1 0 394.313 2.260 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CCCCC1 ZINC000418949003 648324513 /nfs/dbraw/zinc/32/45/13/648324513.db2.gz UNCJNVJVZRZYQN-OAHLLOKOSA-N 1 0 394.313 2.330 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418951708 648324802 /nfs/dbraw/zinc/32/48/02/648324802.db2.gz UVVUKUNNURXINL-IAQYHMDHSA-N 1 0 382.302 2.260 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418949724 648324885 /nfs/dbraw/zinc/32/48/85/648324885.db2.gz SBTFRLFRHKRKNO-HNNXBMFYSA-N 1 0 382.302 2.132 20 0 GEADRO CO[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)[C@H](C[NH3+])C1 ZINC000418954580 648325217 /nfs/dbraw/zinc/32/52/17/648325217.db2.gz OIRAGWRFMUSCCM-WXHSDQCUSA-N 1 0 388.295 2.135 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418995552 648326932 /nfs/dbraw/zinc/32/69/32/648326932.db2.gz RJYAKFUZHUAAIT-HNNXBMFYSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419019074 648327692 /nfs/dbraw/zinc/32/76/92/648327692.db2.gz IVVRUUXXBQUKJE-MCIONIFRSA-N 1 0 396.329 2.095 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419020459 648328026 /nfs/dbraw/zinc/32/80/26/648328026.db2.gz KYEJZKSRRNVORV-IPYPFGDCSA-N 1 0 396.329 2.082 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419024116 648328326 /nfs/dbraw/zinc/32/83/26/648328326.db2.gz QCJCVOMTGHPCOG-CZUORRHYSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000419040768 648329079 /nfs/dbraw/zinc/32/90/79/648329079.db2.gz JFCFQJANNLZYLG-VIFPVBQESA-N 1 0 380.436 2.173 20 0 GEADRO Cc1sc(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000419046172 648329835 /nfs/dbraw/zinc/32/98/35/648329835.db2.gz PEMPQKLTAUGXIB-JTQLQIEISA-N 1 0 380.901 2.099 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](CC)Cc1ccccc1Br ZINC000419048765 648330032 /nfs/dbraw/zinc/33/00/32/648330032.db2.gz AOGZKZCETWYBQF-CQSZACIVSA-N 1 0 384.318 2.002 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419051188 648330314 /nfs/dbraw/zinc/33/03/14/648330314.db2.gz FGVAYSSVINAWET-HUUCEWRRSA-N 1 0 396.329 2.145 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419051260 648330511 /nfs/dbraw/zinc/33/05/11/648330511.db2.gz FPBGNOPIMILWHY-ZFWWWQNUSA-N 1 0 396.329 2.002 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419057759 648331462 /nfs/dbraw/zinc/33/14/62/648331462.db2.gz VGDUDILJCSUHJZ-NWANDNLSSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419056983 648331481 /nfs/dbraw/zinc/33/14/81/648331481.db2.gz SXKFMHUBOKQJEJ-ZENOOKHLSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000419057329 648331548 /nfs/dbraw/zinc/33/15/48/648331548.db2.gz UJSCAZGLVLSFKJ-NWANDNLSSA-N 1 0 396.329 2.143 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419060716 648331926 /nfs/dbraw/zinc/33/19/26/648331926.db2.gz ZUAHAJXMQBLEJU-KBPBESRZSA-N 1 0 396.329 2.002 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000419060241 648331979 /nfs/dbraw/zinc/33/19/79/648331979.db2.gz YUAHWTGOBQQRFC-XPKDYRNWSA-N 1 0 396.329 2.143 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419090063 648333266 /nfs/dbraw/zinc/33/32/66/648333266.db2.gz AWCDXCYOQYSIOP-SNVBAGLBSA-N 1 0 378.325 2.196 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419088915 648333320 /nfs/dbraw/zinc/33/33/20/648333320.db2.gz CFNJLZKZEWSYIE-RDTXWAMCSA-N 1 0 382.291 2.309 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419095046 648333700 /nfs/dbraw/zinc/33/37/00/648333700.db2.gz CBADTKBLXHQSPE-GWCFXTLKSA-N 1 0 380.901 2.294 20 0 GEADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419104727 648334681 /nfs/dbraw/zinc/33/46/81/648334681.db2.gz UEKQTVFYKKZJEF-XGQUHGFPSA-N 1 0 382.291 2.496 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419121330 648335008 /nfs/dbraw/zinc/33/50/08/648335008.db2.gz DDQJPWCNTXTPCY-BLLLJJGKSA-N 1 0 377.897 2.414 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)C1CC1 ZINC000419127545 648335863 /nfs/dbraw/zinc/33/58/63/648335863.db2.gz RBQFJXOLPBUOKD-HOTGVXAUSA-N 1 0 377.897 2.461 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)C1CC1 ZINC000419127832 648335963 /nfs/dbraw/zinc/33/59/63/648335963.db2.gz STBNUBKJJXKJHL-CVEARBPZSA-N 1 0 377.897 2.461 20 0 GEADRO O=C(NCc1ccccc1Br)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419149421 648337127 /nfs/dbraw/zinc/33/71/27/648337127.db2.gz POZDGWMPFWJGJE-UHFFFAOYSA-N 1 0 394.313 2.056 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419152528 648337546 /nfs/dbraw/zinc/33/75/46/648337546.db2.gz OLVCSDODHCIGFP-OUCADQQQSA-N 1 0 382.302 2.131 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000419159523 648338359 /nfs/dbraw/zinc/33/83/59/648338359.db2.gz ZKOQESAJUUFVRJ-ATVPRXPUSA-N 1 0 394.313 2.131 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000419159505 648338415 /nfs/dbraw/zinc/33/84/15/648338415.db2.gz ZJXBFBMIMHCJAK-STQMWFEESA-N 1 0 382.302 2.214 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000419159522 648338522 /nfs/dbraw/zinc/33/85/22/648338522.db2.gz ZKOQESAJUUFVRJ-ADSMDIBLSA-N 1 0 394.313 2.131 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419168968 648338887 /nfs/dbraw/zinc/33/88/87/648338887.db2.gz TVILSYDVTOAASC-SWLSCSKDSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419186213 648340322 /nfs/dbraw/zinc/34/03/22/648340322.db2.gz LPKNJKAOHLEZPL-STQMWFEESA-N 1 0 396.329 2.039 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)c2ccccc2Br)CC[NH2+]1 ZINC000419190165 648340478 /nfs/dbraw/zinc/34/04/78/648340478.db2.gz QKKAPCUJRJSRBR-QWHCGFSZSA-N 1 0 396.329 2.100 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCc1csc(Br)c1 ZINC000419279795 648343976 /nfs/dbraw/zinc/34/39/76/648343976.db2.gz JNKPEBMFJZLRMI-NSHDSACASA-N 1 0 388.331 2.021 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000419294556 648345127 /nfs/dbraw/zinc/34/51/27/648345127.db2.gz VXTNPVULLKFZSR-CYBMUJFWSA-N 1 0 394.313 2.228 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419293973 648345267 /nfs/dbraw/zinc/34/52/67/648345267.db2.gz BNYQCCQWUQMSAH-KGLIPLIRSA-N 1 0 382.302 2.068 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000419299707 648345548 /nfs/dbraw/zinc/34/55/48/648345548.db2.gz KNHHLFKUCXXEHH-AWEZNQCLSA-N 1 0 384.318 2.316 20 0 GEADRO CCC[C@@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419302487 648346161 /nfs/dbraw/zinc/34/61/61/648346161.db2.gz MGZYQGSUHDUKFF-IUODEOHRSA-N 1 0 388.295 2.137 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000419326423 648346956 /nfs/dbraw/zinc/34/69/56/648346956.db2.gz CEXZCBJIYZLEGQ-QWHCGFSZSA-N 1 0 380.539 2.197 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc2c(cc1Br)OCCCO2 ZINC000419347132 648349431 /nfs/dbraw/zinc/34/94/31/648349431.db2.gz WINYDINSICHFJX-ZIAGYGMSSA-N 1 0 399.329 2.497 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCOc1cc(F)cc(Br)c1 ZINC000419346747 648349502 /nfs/dbraw/zinc/34/95/02/648349502.db2.gz VVJBVGGIBZSZOZ-QWHCGFSZSA-N 1 0 375.282 2.354 20 0 GEADRO CC[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000419361288 648350017 /nfs/dbraw/zinc/35/00/17/648350017.db2.gz MQTXZMBNUTVNPB-BBRMVZONSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419508603 648355091 /nfs/dbraw/zinc/35/50/91/648355091.db2.gz CZDOJDXNKKJSMP-QWHCGFSZSA-N 1 0 396.329 2.052 20 0 GEADRO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)cn1 ZINC000419514020 648355450 /nfs/dbraw/zinc/35/54/50/648355450.db2.gz BZUNYHMGBZWZOH-AGIUHOORSA-N 1 0 385.306 2.002 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000419587740 648357106 /nfs/dbraw/zinc/35/71/06/648357106.db2.gz NROXSTCXULWJLV-BLLLJJGKSA-N 1 0 394.313 2.011 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)[C@@H]1C[NH3+] ZINC000419585498 648357123 /nfs/dbraw/zinc/35/71/23/648357123.db2.gz KEOKHCWYFOELHE-HFBAOOFYSA-N 1 0 394.313 2.138 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419594289 648357484 /nfs/dbraw/zinc/35/74/84/648357484.db2.gz YYWPGDHHQPTNRE-CVEARBPZSA-N 1 0 396.329 2.384 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1Br ZINC000419679425 648363437 /nfs/dbraw/zinc/36/34/37/648363437.db2.gz FSENUMXBUCMHLN-GXTWGEPZSA-N 1 0 389.315 2.144 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C2Cc3ccccc3C2)cc1Br ZINC000419693158 648365730 /nfs/dbraw/zinc/36/57/30/648365730.db2.gz ZIWRYNOVJJDTHS-UHFFFAOYSA-N 1 0 381.295 2.354 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1c(Cl)cccc1Cl ZINC000419693485 648365807 /nfs/dbraw/zinc/36/58/07/648365807.db2.gz IWHRTNHHAGRDRT-TXEJJXNPSA-N 1 0 384.307 2.065 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000419702254 648366915 /nfs/dbraw/zinc/36/69/15/648366915.db2.gz FKWHOXGYTKXYEG-AXFHLTTASA-N 1 0 388.331 2.322 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1ccc(Br)s1 ZINC000419706027 648368272 /nfs/dbraw/zinc/36/82/72/648368272.db2.gz JPKYAZCQOGKLPA-JTQLQIEISA-N 1 0 386.315 2.114 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419714626 648370114 /nfs/dbraw/zinc/37/01/14/648370114.db2.gz TXAWPZVDRAVXTC-WDEREUQCSA-N 1 0 388.331 2.194 20 0 GEADRO CCC[C@]1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCOC1 ZINC000419716106 648370509 /nfs/dbraw/zinc/37/05/09/648370509.db2.gz QDHNDQRPQHBGLT-AWEZNQCLSA-N 1 0 377.304 2.145 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000419727948 648371740 /nfs/dbraw/zinc/37/17/40/648371740.db2.gz MIRBZAFBPDDBDE-TVQRCGJNSA-N 1 0 386.279 2.129 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CC[NH2+]C1 ZINC000419731309 648372247 /nfs/dbraw/zinc/37/22/47/648372247.db2.gz RAEYKIIZVBOOSC-GWCFXTLKSA-N 1 0 386.279 2.144 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000419735206 648372938 /nfs/dbraw/zinc/37/29/38/648372938.db2.gz VSFFWJXTKWPVDG-STQMWFEESA-N 1 0 388.295 2.375 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000419737475 648373383 /nfs/dbraw/zinc/37/33/83/648373383.db2.gz YFCHOPDRVYRZFO-ZWKOPEQDSA-N 1 0 386.279 2.177 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419749401 648374255 /nfs/dbraw/zinc/37/42/55/648374255.db2.gz QDLGTXIGVAPNHJ-WBMJQRKESA-N 1 0 396.329 2.001 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000419759434 648375732 /nfs/dbraw/zinc/37/57/32/648375732.db2.gz MFTMJYLSEZWJCQ-JTQLQIEISA-N 1 0 396.221 2.031 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000419764161 648376461 /nfs/dbraw/zinc/37/64/61/648376461.db2.gz VMBCDFGIVHUDLM-QMMMGPOBSA-N 1 0 396.221 2.018 20 0 GEADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419766944 648376792 /nfs/dbraw/zinc/37/67/92/648376792.db2.gz RUHRUOCHMZJEIT-ZJUUUORDSA-N 1 0 380.901 2.413 20 0 GEADRO COC1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000419785661 648378692 /nfs/dbraw/zinc/37/86/92/648378692.db2.gz TVISUGBHCINOGE-UHFFFAOYSA-N 1 0 377.304 2.144 20 0 GEADRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000419801171 648379570 /nfs/dbraw/zinc/37/95/70/648379570.db2.gz JMZXCRWHIXJSSD-MEBBXXQBSA-N 1 0 391.331 2.390 20 0 GEADRO COC1([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCC1 ZINC000419807704 648380472 /nfs/dbraw/zinc/38/04/72/648380472.db2.gz MRTATDULYNQLMH-JTQLQIEISA-N 1 0 377.304 2.144 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419805730 648380583 /nfs/dbraw/zinc/38/05/83/648380583.db2.gz DUIXTXGNTYIBNY-WWGRRREGSA-N 1 0 396.329 2.225 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419805733 648380631 /nfs/dbraw/zinc/38/06/31/648380631.db2.gz DUIXTXGNTYIBNY-XJKCOSOUSA-N 1 0 396.329 2.225 20 0 GEADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000419815915 648381526 /nfs/dbraw/zinc/38/15/26/648381526.db2.gz JZAKYUURHVGVRO-UONOGXRCSA-N 1 0 376.291 2.468 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419825566 648382634 /nfs/dbraw/zinc/38/26/34/648382634.db2.gz QEFNHSGSZRBTGF-DZGCQCFKSA-N 1 0 396.329 2.084 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000419824339 648382739 /nfs/dbraw/zinc/38/27/39/648382739.db2.gz PNZFFXBIHYFHSX-XJKSGUPXSA-N 1 0 396.329 2.097 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419834054 648383626 /nfs/dbraw/zinc/38/36/26/648383626.db2.gz RAABHAZNXMZTLB-UHFFFAOYSA-N 1 0 382.302 2.043 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000419835145 648383713 /nfs/dbraw/zinc/38/37/13/648383713.db2.gz VACWPCWRGMNTHB-CQSZACIVSA-N 1 0 386.265 2.107 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000419837409 648384296 /nfs/dbraw/zinc/38/42/96/648384296.db2.gz MABHJZFDOQQEMS-UHFFFAOYSA-N 1 0 380.901 2.121 20 0 GEADRO C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)C(=O)NCC[NH3+] ZINC000419838379 648384308 /nfs/dbraw/zinc/38/43/08/648384308.db2.gz OBAZAUSMZCFRCD-CYBMUJFWSA-N 1 0 379.913 2.436 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419852417 648385370 /nfs/dbraw/zinc/38/53/70/648385370.db2.gz LFIIPGSMLMBUBE-INIZCTEOSA-N 1 0 394.313 2.371 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000419850436 648385384 /nfs/dbraw/zinc/38/53/84/648385384.db2.gz LNFJANZVMVKDBX-LLVKDONJSA-N 1 0 386.315 2.042 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)s1)C1CC1 ZINC000419862205 648385927 /nfs/dbraw/zinc/38/59/27/648385927.db2.gz MVUXYFNTIJFLIE-WDEREUQCSA-N 1 0 386.315 2.028 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419862961 648385938 /nfs/dbraw/zinc/38/59/38/648385938.db2.gz DHINRQFDEJNBNK-PNESKVBLSA-N 1 0 382.302 2.355 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419859024 648385953 /nfs/dbraw/zinc/38/59/53/648385953.db2.gz XUUAXKBMTCQQFQ-GFCCVEGCSA-N 1 0 394.313 2.153 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)ccc1Br ZINC000419868830 648386320 /nfs/dbraw/zinc/38/63/20/648386320.db2.gz RFWIRWSBEQVYNN-CVEARBPZSA-N 1 0 394.313 2.275 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000419867340 648386462 /nfs/dbraw/zinc/38/64/62/648386462.db2.gz BOXNFIMFQRKPMY-CQSZACIVSA-N 1 0 394.313 2.198 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000419906229 648387285 /nfs/dbraw/zinc/38/72/85/648387285.db2.gz BVLKIBGFHHGZBR-INIZCTEOSA-N 1 0 377.535 2.400 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419906904 648387399 /nfs/dbraw/zinc/38/73/99/648387399.db2.gz AWJXXYDGJYAFKR-CQSZACIVSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419911783 648388223 /nfs/dbraw/zinc/38/82/23/648388223.db2.gz KBMJGAMHHOQLJK-STQMWFEESA-N 1 0 394.313 2.011 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419938598 648390376 /nfs/dbraw/zinc/39/03/76/648390376.db2.gz XHIDJVRRSQTSHV-HNNXBMFYSA-N 1 0 382.302 2.228 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000419978490 648392500 /nfs/dbraw/zinc/39/25/00/648392500.db2.gz ODBLFYRTOJDCIW-GHMZBOCLSA-N 1 0 388.331 2.146 20 0 GEADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419989242 648393179 /nfs/dbraw/zinc/39/31/79/648393179.db2.gz AQPQELWDMIIQSX-CVEARBPZSA-N 1 0 394.313 2.371 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419988242 648393225 /nfs/dbraw/zinc/39/32/25/648393225.db2.gz HQTDAFONXAKKHI-AAEUAGOBSA-N 1 0 388.295 2.217 20 0 GEADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000419997997 648394192 /nfs/dbraw/zinc/39/41/92/648394192.db2.gz KXSLNYCFFWUEBI-HOTGVXAUSA-N 1 0 381.929 2.215 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000420001115 648394648 /nfs/dbraw/zinc/39/46/48/648394648.db2.gz QWMIOSBHQKFTHM-QGZVFWFLSA-N 1 0 382.555 2.391 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420004355 648394978 /nfs/dbraw/zinc/39/49/78/648394978.db2.gz VCKNIDWGRGNMRR-MRXNPFEDSA-N 1 0 396.329 2.444 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000420016469 648395973 /nfs/dbraw/zinc/39/59/73/648395973.db2.gz NEUZGXNIZRBGBG-QWRGUYRKSA-N 1 0 388.331 2.274 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)ccc1Br ZINC000420025166 648396909 /nfs/dbraw/zinc/39/69/09/648396909.db2.gz BDBGIHKHMMXUON-JKSUJKDBSA-N 1 0 394.313 2.275 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CC2)ccc1Br ZINC000420025158 648397074 /nfs/dbraw/zinc/39/70/74/648397074.db2.gz BDBGIHKHMMXUON-CVEARBPZSA-N 1 0 394.313 2.275 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420055030 648398268 /nfs/dbraw/zinc/39/82/68/648398268.db2.gz YPTXVWSDRZFVSZ-WFASDCNBSA-N 1 0 382.302 2.041 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1)C1CC1 ZINC000420060442 648398847 /nfs/dbraw/zinc/39/88/47/648398847.db2.gz KMPWHMNAVXUELF-MRXNPFEDSA-N 1 0 394.313 2.041 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)NCC(C)(C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420078005 648400049 /nfs/dbraw/zinc/40/00/49/648400049.db2.gz OCBBIGFCEYPIGU-LLVKDONJSA-N 1 0 390.311 2.463 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088560 648400417 /nfs/dbraw/zinc/40/04/17/648400417.db2.gz HZIIBDZLAKJGGL-UHFFFAOYSA-N 1 0 382.302 2.184 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420092456 648401183 /nfs/dbraw/zinc/40/11/83/648401183.db2.gz BWQFQQLSHJWKQE-CJNGLKHVSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000420120314 648403181 /nfs/dbraw/zinc/40/31/81/648403181.db2.gz JVHCLZDYOBSBFP-UHOFOFEASA-N 1 0 381.929 2.213 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2[C@H]1C ZINC000420136081 648405081 /nfs/dbraw/zinc/40/50/81/648405081.db2.gz FLKMLASJKKUILM-HSMVNMDESA-N 1 0 394.313 2.009 20 0 GEADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420146838 648405586 /nfs/dbraw/zinc/40/55/86/648405586.db2.gz BLWJILHAIHNSEG-NSHDSACASA-N 1 0 382.291 2.475 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000420174563 648407818 /nfs/dbraw/zinc/40/78/18/648407818.db2.gz TZAGRAGYMLLTJN-CYBMUJFWSA-N 1 0 396.329 2.302 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420183797 648408370 /nfs/dbraw/zinc/40/83/70/648408370.db2.gz AHGPWKQEWRCHBD-UKRRQHHQSA-N 1 0 396.329 2.431 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420208879 648409416 /nfs/dbraw/zinc/40/94/16/648409416.db2.gz MEOASAJJYZJKFM-MELADBBJSA-N 1 0 384.307 2.456 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420208874 648409469 /nfs/dbraw/zinc/40/94/69/648409469.db2.gz MEOASAJJYZJKFM-BFHYXJOUSA-N 1 0 384.307 2.456 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000420214291 648409720 /nfs/dbraw/zinc/40/97/20/648409720.db2.gz VFRNRLORAKRYHB-WQVCFCJDSA-N 1 0 394.313 2.356 20 0 GEADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420217693 648409760 /nfs/dbraw/zinc/40/97/60/648409760.db2.gz MZBVEEYPXGLVJU-WCQYABFASA-N 1 0 388.295 2.008 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000420219620 648410297 /nfs/dbraw/zinc/41/02/97/648410297.db2.gz YTHYLKKOBUIIHQ-IUODEOHRSA-N 1 0 394.313 2.184 20 0 GEADRO C[C@]1(F)C[NH2+]CCN(c2ncnc3ccc(I)cc32)C1 ZINC000420275050 648412952 /nfs/dbraw/zinc/41/29/52/648412952.db2.gz YZIDKJSLFNKOKN-AWEZNQCLSA-N 1 0 386.212 2.372 20 0 GEADRO NS(=O)(=O)c1cc(F)c(NC[C@@H]2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000420287392 648412987 /nfs/dbraw/zinc/41/29/87/648412987.db2.gz RJLHYPFREBFHPE-RKDXNWHRSA-N 1 0 380.283 2.165 20 0 GEADRO O=C1[C@H](N2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345241 648413355 /nfs/dbraw/zinc/41/33/55/648413355.db2.gz ADWQJEKHGTVQEZ-WMLDXEAASA-N 1 0 383.323 2.078 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420349250 648413410 /nfs/dbraw/zinc/41/34/10/648413410.db2.gz OEVWLROQCDMHRC-OKILXGFUSA-N 1 0 399.276 2.364 20 0 GEADRO O=C(CN1CC[C@@]2(CCC[NH2+]2)C1)Nc1ccccc1I ZINC000420394149 648415912 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396.329 2.382 20 0 GEADRO COC[C@@]1(C(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]C1 ZINC000423122100 648582958 /nfs/dbraw/zinc/58/29/58/648582958.db2.gz KEHWRFASAHUZMB-CYBMUJFWSA-N 1 0 396.175 2.134 20 0 GEADRO CC(C)[C@@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000423128424 648583423 /nfs/dbraw/zinc/58/34/23/648583423.db2.gz QKKXLDQDRQDQNL-IUODEOHRSA-N 1 0 384.318 2.305 20 0 GEADRO CCOC(=O)C1([C@H](C)N[C@H](C)c2ncc(Br)cn2)CC[NH2+]CC1 ZINC000423134411 648583971 /nfs/dbraw/zinc/58/39/71/648583971.db2.gz RUJGHOGNHNKQPF-NEPJUHHUSA-N 1 0 385.306 2.211 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000423138238 648584373 /nfs/dbraw/zinc/58/43/73/648584373.db2.gz SNEKEUJUEFWJQF-QWRGUYRKSA-N 1 0 388.331 2.055 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@H]2COCCN2)cc1Br ZINC000423149864 648584413 /nfs/dbraw/zinc/58/44/13/648584413.db2.gz BBDYFCLDKIZYOK-PVAVHDDUSA-N 1 0 385.346 2.265 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)NCCCCSc1ccccc1Br ZINC000423174164 648586629 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Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423451907 648591225 /nfs/dbraw/zinc/59/12/25/648591225.db2.gz HBIKYIUOCAXFKE-SWLSCSKDSA-N 1 0 396.329 2.159 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423450513 648591297 /nfs/dbraw/zinc/59/12/97/648591297.db2.gz DURDWRFAQHEDCG-IYBDPMFKSA-N 1 0 394.313 2.069 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423482836 648592732 /nfs/dbraw/zinc/59/27/32/648592732.db2.gz RDTHHXGBSRCVGL-XIKOKIGWSA-N 1 0 394.313 2.092 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000423501132 648593232 /nfs/dbraw/zinc/59/32/32/648593232.db2.gz AYOKAEVDKASADT-ABAIWWIYSA-N 1 0 398.276 2.059 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000423512665 648593521 /nfs/dbraw/zinc/59/35/21/648593521.db2.gz QVUDSXAMRMDBFC-UHFFFAOYSA-N 1 0 396.329 2.223 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CNCCN1C ZINC000423511848 648593583 /nfs/dbraw/zinc/59/35/83/648593583.db2.gz KIPKJOLDOKCGEQ-XJKSGUPXSA-N 1 0 387.309 2.106 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)c2ccccc2Br)C1 ZINC000423554345 648595025 /nfs/dbraw/zinc/59/50/25/648595025.db2.gz FFSJGKVWLHNHEU-KGLIPLIRSA-N 1 0 396.329 2.427 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000423560725 648595558 /nfs/dbraw/zinc/59/55/58/648595558.db2.gz LKOAFBICGONUPO-RWMBFGLXSA-N 1 0 382.302 2.164 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423571636 648595950 /nfs/dbraw/zinc/59/59/50/648595950.db2.gz VZBACDRLGSBVSE-HZSPNIEDSA-N 1 0 394.313 2.036 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2 ZINC000423564304 648596042 /nfs/dbraw/zinc/59/60/42/648596042.db2.gz SGRRXRWBDJFLMW-UHFFFAOYSA-N 1 0 396.329 2.086 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC000423590211 648597148 /nfs/dbraw/zinc/59/71/48/648597148.db2.gz FZMWECXYHPMCPX-UHFFFAOYSA-N 1 0 382.302 2.008 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000423617318 648597772 /nfs/dbraw/zinc/59/77/72/648597772.db2.gz SXCWQQZIMPAMPV-HNNXBMFYSA-N 1 0 383.945 2.476 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423660733 648598946 /nfs/dbraw/zinc/59/89/46/648598946.db2.gz AUWIRTPHMHLDAR-ZENOOKHLSA-N 1 0 381.929 2.229 20 0 GEADRO CCCN(C(=O)C(=O)N(C)CCc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000423668809 648599055 /nfs/dbraw/zinc/59/90/55/648599055.db2.gz XAIKLCYHRYRSKE-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000423699925 648599848 /nfs/dbraw/zinc/59/98/48/648599848.db2.gz SEJJVGNMUWCONI-BBRMVZONSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)[C@H]1C[NH3+] ZINC000423742251 648601337 /nfs/dbraw/zinc/60/13/37/648601337.db2.gz UJFJKCWJGOCOBJ-JQWIXIFHSA-N 1 0 388.331 2.055 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000423953374 648605037 /nfs/dbraw/zinc/60/50/37/648605037.db2.gz LUDTYJADLHWHJB-KGLIPLIRSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000423962022 648605670 /nfs/dbraw/zinc/60/56/70/648605670.db2.gz ULKCTHZZMDVHLJ-SMDDNHRTSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000423962014 648605718 /nfs/dbraw/zinc/60/57/18/648605718.db2.gz ULKCTHZZMDVHLJ-BXUZGUMPSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000423964738 648605768 /nfs/dbraw/zinc/60/57/68/648605768.db2.gz XLAQCDYIJGHFDG-LLVKDONJSA-N 1 0 395.294 2.095 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@@]1(C)C[NH3+] ZINC000423982748 648606905 /nfs/dbraw/zinc/60/69/05/648606905.db2.gz KDKFEWZCWIVQAE-HNJNHCNJSA-N 1 0 381.929 2.298 20 0 GEADRO Cc1cc(Br)cc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000423993483 648607411 /nfs/dbraw/zinc/60/74/11/648607411.db2.gz ARZAJMTYAIXWDB-OAHLLOKOSA-N 1 0 378.274 2.285 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cc(F)cc(Br)c3)C2)nn1 ZINC000424000092 648608024 /nfs/dbraw/zinc/60/80/24/648608024.db2.gz LFRPGANKRXZSOR-CQSZACIVSA-N 1 0 382.237 2.116 20 0 GEADRO CC(C)n1cc(Br)cc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000424001543 648608485 /nfs/dbraw/zinc/60/84/85/648608485.db2.gz NMCHOINIYCZWOV-AWEZNQCLSA-N 1 0 395.305 2.359 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccc(Br)cc3F)C2)nn1 ZINC000424007138 648609010 /nfs/dbraw/zinc/60/90/10/648609010.db2.gz UZBDXQKBAZQPIS-LBPRGKRZSA-N 1 0 382.237 2.116 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C[NH3+] ZINC000424003561 648609117 /nfs/dbraw/zinc/60/91/17/648609117.db2.gz DQLMFIBZJOTOEX-XJKCOSOUSA-N 1 0 394.313 2.245 20 0 GEADRO Cc1ccc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000424007128 648609120 /nfs/dbraw/zinc/60/91/20/648609120.db2.gz UWWULWFJBWQWJU-CQSZACIVSA-N 1 0 378.274 2.285 20 0 GEADRO CCOc1cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc(Br)c1OC ZINC000424201537 648616874 /nfs/dbraw/zinc/61/68/74/648616874.db2.gz HLNBDVWRIXRCLW-GFCCVEGCSA-N 1 0 385.258 2.093 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(F)c(I)c1 ZINC000424309991 648622643 /nfs/dbraw/zinc/62/26/43/648622643.db2.gz BOKZLYUNHNOSGY-PELKAZGASA-N 1 0 390.196 2.228 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000424305371 648622805 /nfs/dbraw/zinc/62/28/05/648622805.db2.gz DKDCMAHVVQDRLS-QZTJIDSGSA-N 1 0 387.567 2.494 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000424469785 648629553 /nfs/dbraw/zinc/62/95/53/648629553.db2.gz POEYZSIUUDGUDY-IDTSFGKNSA-N 1 0 398.301 2.083 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424471988 648629960 /nfs/dbraw/zinc/62/99/60/648629960.db2.gz UEZQTPSNDSGOQW-MRVPVSSYSA-N 1 0 381.645 2.433 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000424469857 648629984 /nfs/dbraw/zinc/62/99/84/648629984.db2.gz PTCIXLHVYKNGOK-VIFPVBQESA-N 1 0 393.656 2.435 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)N1CCC[NH2+]CC1 ZINC000424472256 648630021 /nfs/dbraw/zinc/63/00/21/648630021.db2.gz UPQLBKLGIZHSHX-UHFFFAOYSA-N 1 0 393.656 2.450 20 0 GEADRO CC(C)(C[NH3+])NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424476160 648630562 /nfs/dbraw/zinc/63/05/62/648630562.db2.gz ZPQHXWFCQUTPTG-UHFFFAOYSA-N 1 0 381.645 2.481 20 0 GEADRO COc1ncc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Br ZINC000424728756 648642150 /nfs/dbraw/zinc/64/21/50/648642150.db2.gz BTHRUDFCMQGLLH-BPLDGKMQSA-N 1 0 398.301 2.176 20 0 GEADRO Cc1oc(Br)cc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000424752532 648644130 /nfs/dbraw/zinc/64/41/30/648644130.db2.gz XHAPBTYOXPNRDY-IUODEOHRSA-N 1 0 384.318 2.449 20 0 GEADRO COc1ncc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000424802619 648648640 /nfs/dbraw/zinc/64/86/40/648648640.db2.gz BTOLCVPPAVEPFW-LBPRGKRZSA-N 1 0 386.290 2.083 20 0 GEADRO Cc1cc(F)c(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c(F)c1 ZINC000425166063 648666931 /nfs/dbraw/zinc/66/69/31/648666931.db2.gz HVSFVEUGBXWWJT-UHFFFAOYSA-N 1 0 376.469 2.441 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CCc2ccc(Cl)cc2)CC1 ZINC000425211937 648671799 /nfs/dbraw/zinc/67/17/99/648671799.db2.gz XWTYJJJSHMJDNZ-MRXNPFEDSA-N 1 0 387.977 2.076 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425749105 648694346 /nfs/dbraw/zinc/69/43/46/648694346.db2.gz VYNKZDKPJXMGPT-NSHDSACASA-N 1 0 375.803 2.480 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)[C@@H]2C1 ZINC000425816636 648698954 /nfs/dbraw/zinc/69/89/54/648698954.db2.gz GFVIZUXNZBVJNS-IINYFYTJSA-N 1 0 384.249 2.079 20 0 GEADRO CC[N@H+](CCNC(=O)N1CCC[C@](O)(C(F)(F)F)C1)CCC(F)(F)F ZINC000425979370 648702347 /nfs/dbraw/zinc/70/23/47/648702347.db2.gz IAZWSMPXUMFZLH-GFCCVEGCSA-N 1 0 379.345 2.360 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N(C)Cc1cc(OC)ccc1Br ZINC000428567543 648737485 /nfs/dbraw/zinc/73/74/85/648737485.db2.gz BDTVJQUJXGPAQJ-UHFFFAOYSA-N 1 0 388.306 2.177 20 0 GEADRO C[C@H](CNC(=O)NC[C@@H](CO)Cc1ccccc1Br)[N@H+](C)C1CC1 ZINC000428579089 648738365 /nfs/dbraw/zinc/73/83/65/648738365.db2.gz HZFKPGVWGQVPDQ-KGLIPLIRSA-N 1 0 398.345 2.382 20 0 GEADRO Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1Br ZINC000428597503 648740481 /nfs/dbraw/zinc/74/04/81/648740481.db2.gz QQMOFJHLGBTPFV-OAHLLOKOSA-N 1 0 394.313 2.042 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000428606314 648741315 /nfs/dbraw/zinc/74/13/15/648741315.db2.gz ZGLGRLZGCVBCKD-GOEBONIOSA-N 1 0 396.329 2.136 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000429095535 648744354 /nfs/dbraw/zinc/74/43/54/648744354.db2.gz SCGXQJQGJVRQIJ-SWLSCSKDSA-N 1 0 382.302 2.072 20 0 GEADRO CCCN(C(=O)c1n[nH]c2ccc(I)cc21)[C@H]1CC[NH2+]C1 ZINC000429099238 648744840 /nfs/dbraw/zinc/74/48/40/648744840.db2.gz MIQOEZCYMAUYQV-NSHDSACASA-N 1 0 398.248 2.382 20 0 GEADRO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429126834 648745242 /nfs/dbraw/zinc/74/52/42/648745242.db2.gz KQOGDHPGKVKRSB-MRXNPFEDSA-N 1 0 392.974 2.462 20 0 GEADRO C[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000429149510 648746336 /nfs/dbraw/zinc/74/63/36/648746336.db2.gz GOSKTSWMWXWYPG-BXUZGUMPSA-N 1 0 383.290 2.156 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000429158370 648747053 /nfs/dbraw/zinc/74/70/53/648747053.db2.gz KDSUJIKFDBRLAP-SGMGOOAPSA-N 1 0 382.302 2.153 20 0 GEADRO C[C@H](NC(=O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)C ZINC000429288650 648749293 /nfs/dbraw/zinc/74/92/93/648749293.db2.gz OKCUPOXIAYAHTP-ZBEGNZNMSA-N 1 0 396.329 2.255 20 0 GEADRO C[C@H](NC(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)C ZINC000429288649 648749381 /nfs/dbraw/zinc/74/93/81/648749381.db2.gz OKCUPOXIAYAHTP-MEDUHNTESA-N 1 0 396.329 2.255 20 0 GEADRO CN(C)C(=O)N1CCC([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000430120626 648758913 /nfs/dbraw/zinc/75/89/13/648758913.db2.gz HRPQONOHEADTKD-HNNXBMFYSA-N 1 0 388.281 2.357 20 0 GEADRO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430695503 648765485 /nfs/dbraw/zinc/76/54/85/648765485.db2.gz HOWVDVMTOYFJDY-YGRLFVJLSA-N 1 0 377.304 2.316 20 0 GEADRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430712266 648765933 /nfs/dbraw/zinc/76/59/33/648765933.db2.gz HDWAZXHMECJHKW-PWSUYJOCSA-N 1 0 379.320 2.298 20 0 GEADRO C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430725586 648766335 /nfs/dbraw/zinc/76/63/35/648766335.db2.gz XZXSQYTWKYTLEM-JTQLQIEISA-N 1 0 379.320 2.156 20 0 GEADRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724418 648766370 /nfs/dbraw/zinc/76/63/70/648766370.db2.gz VUJUSFYWVQVQDP-IINYFYTJSA-N 1 0 379.320 2.154 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723993 648766384 /nfs/dbraw/zinc/76/63/84/648766384.db2.gz UNFAAPOJPAZPFB-GMXVVIOVSA-N 1 0 391.331 2.298 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430747618 648767607 /nfs/dbraw/zinc/76/76/07/648767607.db2.gz MTKIZLWPWLTZEK-WDMOLILDSA-N 1 0 390.347 2.230 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000435770015 648787155 /nfs/dbraw/zinc/78/71/55/648787155.db2.gz NGSFKNDRPBAETB-CYBMUJFWSA-N 1 0 380.432 2.389 20 0 GEADRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000438843479 648806547 /nfs/dbraw/zinc/80/65/47/648806547.db2.gz VYEUBCOZXJTNFA-CQSZACIVSA-N 1 0 381.318 2.367 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000439028507 648807830 /nfs/dbraw/zinc/80/78/30/648807830.db2.gz MNDBPBKTLZESAG-UHFFFAOYSA-N 1 0 381.523 2.324 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000439133261 648809202 /nfs/dbraw/zinc/80/92/02/648809202.db2.gz LVIMKPGKXQREBY-MRXNPFEDSA-N 1 0 387.343 2.178 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000440760079 648812809 /nfs/dbraw/zinc/81/28/09/648812809.db2.gz NOIJDLJMFDQSKK-CYBMUJFWSA-N 1 0 376.906 2.033 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000440803805 648813617 /nfs/dbraw/zinc/81/36/17/648813617.db2.gz MYAQXOBFMDQLEJ-LLVKDONJSA-N 1 0 377.304 2.207 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)[C@H](C[NH3+])C1 ZINC000440838614 648815983 /nfs/dbraw/zinc/81/59/83/648815983.db2.gz TXKOMOVAFAKUIB-QWRGUYRKSA-N 1 0 395.294 2.023 20 0 GEADRO C[NH2+]CCN(C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000440848072 648816858 /nfs/dbraw/zinc/81/68/58/648816858.db2.gz OHOSWOXMASXUNJ-UHFFFAOYSA-N 1 0 375.210 2.308 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000440852104 648817242 /nfs/dbraw/zinc/81/72/42/648817242.db2.gz HKWXIEKHSAWKRX-RYUDHWBXSA-N 1 0 386.823 2.486 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2nc(C)c(C)s2)cc1 ZINC000440852792 648817399 /nfs/dbraw/zinc/81/73/99/648817399.db2.gz YBDIZEDAZOYEHV-JKSUJKDBSA-N 1 0 381.523 2.193 20 0 GEADRO CC[N@H+](CCCOc1cccc(I)c1)[C@H]1CCNC1=O ZINC000440964414 648817943 /nfs/dbraw/zinc/81/79/43/648817943.db2.gz RGXJDMNWLITIPB-AWEZNQCLSA-N 1 0 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ZINC000647201546 651736158 /nfs/dbraw/zinc/73/61/58/651736158.db2.gz RGKUQPXUPKASLD-TZMCWYRMSA-N 1 0 376.906 2.174 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647230499 651737745 /nfs/dbraw/zinc/73/77/45/651737745.db2.gz SVRCJAKPZOWXLX-NSHDSACASA-N 1 0 386.315 2.313 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)CC[C@@H]1[NH3+] ZINC000647269964 651738435 /nfs/dbraw/zinc/73/84/35/651738435.db2.gz HILHIPJRXKJXMV-AAEUAGOBSA-N 1 0 389.905 2.055 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000611949166 651738855 /nfs/dbraw/zinc/73/88/55/651738855.db2.gz RKQFHJLZXURRIA-HNNXBMFYSA-N 1 0 396.329 2.097 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734243170 651740282 /nfs/dbraw/zinc/74/02/82/651740282.db2.gz DYVBXWLTFDXXOJ-HNNXBMFYSA-N 1 0 388.917 2.270 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000647278165 651740490 /nfs/dbraw/zinc/74/04/90/651740490.db2.gz GQVGXWWEABFILK-IUODEOHRSA-N 1 0 385.555 2.098 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000647278164 651740653 /nfs/dbraw/zinc/74/06/53/651740653.db2.gz GQVGXWWEABFILK-DOMZBBRYSA-N 1 0 385.555 2.098 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647284149 651741199 /nfs/dbraw/zinc/74/11/99/651741199.db2.gz DSQCBYMJCQFCEW-YGRLFVJLSA-N 1 0 386.315 2.217 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000570035655 651741273 /nfs/dbraw/zinc/74/12/73/651741273.db2.gz NKWKNCRVRHXJAM-CQSZACIVSA-N 1 0 397.317 2.432 20 0 GEADRO Cc1nccn1CCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000570036632 651741585 /nfs/dbraw/zinc/74/15/85/651741585.db2.gz CBSBMHBHVHWZAB-UHFFFAOYSA-N 1 0 386.315 2.408 20 0 GEADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000570046415 651742135 /nfs/dbraw/zinc/74/21/35/651742135.db2.gz SIMDINQYPQVUQM-PVAVHDDUSA-N 1 0 397.313 2.442 20 0 GEADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)ccc1OCC1CCC1 ZINC000647304767 651742911 /nfs/dbraw/zinc/74/29/11/651742911.db2.gz DYCQEVLSJUFXIB-KBPBESRZSA-N 1 0 376.881 2.497 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000570062279 651744005 /nfs/dbraw/zinc/74/40/05/651744005.db2.gz VKVILYDEVRQCDV-PHIMTYICSA-N 1 0 386.677 2.394 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]12 ZINC000570077627 651745093 /nfs/dbraw/zinc/74/50/93/651745093.db2.gz FBZGPXMJKJQHOC-SGIREYDYSA-N 1 0 382.291 2.074 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)/C=C/c3ccc(Br)o3)CC2)C1 ZINC000734454635 651745638 /nfs/dbraw/zinc/74/56/38/651745638.db2.gz ZECRGNVGZAIDGB-DYLGSBMWSA-N 1 0 382.302 2.294 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000570089297 651746330 /nfs/dbraw/zinc/74/63/30/651746330.db2.gz CUWZVNGFOARGKH-SNVBAGLBSA-N 1 0 376.320 2.133 20 0 GEADRO O=C1C[C@H]([NH2+]CC2(O)CCCCC2)C(=O)N1c1ccc(Br)cc1 ZINC000570104765 651747370 /nfs/dbraw/zinc/74/73/70/651747370.db2.gz OVZRTCRKQSBJJF-AWEZNQCLSA-N 1 0 381.270 2.366 20 0 GEADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643625 651752506 /nfs/dbraw/zinc/75/25/06/651752506.db2.gz LBUDXXSICVWRJZ-UHFFFAOYSA-N 1 0 394.269 2.137 20 0 GEADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000570200143 651752694 /nfs/dbraw/zinc/75/26/94/651752694.db2.gz MTJFYQQFMVLEPD-KDOFPFPSSA-N 1 0 379.298 2.366 20 0 GEADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)c2cscn2)CC1 ZINC000570206373 651753330 /nfs/dbraw/zinc/75/33/30/651753330.db2.gz JVLBWBACCVYCRB-AWEZNQCLSA-N 1 0 375.560 2.025 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)sc1C(F)(F)F ZINC000570256714 651755419 /nfs/dbraw/zinc/75/54/19/651755419.db2.gz UQJXCGBZENWLEZ-VIFPVBQESA-N 1 0 378.420 2.399 20 0 GEADRO Cc1cc(Br)cc2cc(C(=O)N(C)CCN3CC[NH2+]CC3)oc21 ZINC000647778407 651758484 /nfs/dbraw/zinc/75/84/84/651758484.db2.gz DBOWXPWIPJZNQQ-UHFFFAOYSA-N 1 0 380.286 2.481 20 0 GEADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000570321783 651760372 /nfs/dbraw/zinc/76/03/72/651760372.db2.gz UYYFQBJHAIDUSF-JLHYYAGUSA-N 1 0 375.437 2.221 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC)Cc2cccc(Br)c2)C1 ZINC000612550640 651760758 /nfs/dbraw/zinc/76/07/58/651760758.db2.gz JJLOPBCPPKOQNO-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2Cc3ccc(C)c(Br)c3C2)C1 ZINC000612542688 651760882 /nfs/dbraw/zinc/76/08/82/651760882.db2.gz KHXYCFSESXSBLE-CQSZACIVSA-N 1 0 394.313 2.200 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000647823229 651761442 /nfs/dbraw/zinc/76/14/42/651761442.db2.gz FWWXPNADXGREPE-CVEARBPZSA-N 1 0 385.277 2.452 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2csc(Br)c2)C1 ZINC000612552170 651761586 /nfs/dbraw/zinc/76/15/86/651761586.db2.gz SZUYHNFVRIBGDQ-LBPRGKRZSA-N 1 0 388.331 2.070 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)NCCCC[N@H+]1CCC[C@H]1CO ZINC000612659562 651763978 /nfs/dbraw/zinc/76/39/78/651763978.db2.gz WNBFYAHTTNAHDW-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH+]4CCC3CC4)nc12 ZINC000570422088 651766481 /nfs/dbraw/zinc/76/64/81/651766481.db2.gz NIZBCNKAPYXWQO-UHFFFAOYSA-N 1 0 392.301 2.395 20 0 GEADRO CC[C@H]1CN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647937920 651767117 /nfs/dbraw/zinc/76/71/17/651767117.db2.gz DWESHDNLHGFRLE-WMLDXEAASA-N 1 0 398.345 2.346 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000647958413 651767209 /nfs/dbraw/zinc/76/72/09/651767209.db2.gz UHLKPJQLEIVMJS-OAHLLOKOSA-N 1 0 388.339 2.452 20 0 GEADRO COCCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000647970499 651768015 /nfs/dbraw/zinc/76/80/15/651768015.db2.gz SZADZLINWBTFKU-JSGCOSHPSA-N 1 0 375.307 2.047 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000570502369 651771084 /nfs/dbraw/zinc/77/10/84/651771084.db2.gz WESUUDCSAALFPP-GJZGRUSLSA-N 1 0 386.901 2.422 20 0 GEADRO COc1ccc(CN2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1O ZINC000648071933 651773513 /nfs/dbraw/zinc/77/35/13/651773513.db2.gz BGFANAIIRAIAET-UHFFFAOYSA-N 1 0 385.302 2.460 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc2c(cc1Br)NC(=O)CO2 ZINC000648211066 651776364 /nfs/dbraw/zinc/77/63/64/651776364.db2.gz IJFWBJNXSSDWKG-CQSZACIVSA-N 1 0 394.269 2.185 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@H+]1C ZINC000613227001 651777342 /nfs/dbraw/zinc/77/73/42/651777342.db2.gz PJWDXPRNQDGYFQ-KOZAUXTDSA-N 1 0 382.302 2.473 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)ccc1Cl ZINC000570605634 651777732 /nfs/dbraw/zinc/77/77/32/651777732.db2.gz WUMXRHBKVKIVHM-UHFFFAOYSA-N 1 0 385.917 2.458 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000570651964 651780544 /nfs/dbraw/zinc/78/05/44/651780544.db2.gz UVHPQEVCNSXTQL-SNVBAGLBSA-N 1 0 395.294 2.217 20 0 GEADRO C[C@@H](CC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)n1cc(Br)cn1 ZINC000648374535 651784981 /nfs/dbraw/zinc/78/49/81/651784981.db2.gz PJBYFFKOTCONDR-LBPRGKRZSA-N 1 0 395.305 2.699 20 0 GEADRO COc1ccc(CCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000613655907 651790679 /nfs/dbraw/zinc/79/06/79/651790679.db2.gz NQYOEPPSUMVSJJ-UONOGXRCSA-N 1 0 399.329 2.304 20 0 GEADRO CN(CCC[NH3+])C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000570782740 651790836 /nfs/dbraw/zinc/79/08/36/651790836.db2.gz IAVUQNOKDLPKET-UHFFFAOYSA-N 1 0 388.266 2.919 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2cccc(Br)c2C1 ZINC000735681952 651790996 /nfs/dbraw/zinc/79/09/96/651790996.db2.gz HBXKGNYULXGHDU-HUUCEWRRSA-N 1 0 394.313 2.380 20 0 GEADRO CO[C@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)[C@H](C[NH3+])C1 ZINC000570792961 651791392 /nfs/dbraw/zinc/79/13/92/651791392.db2.gz FPEMUWBAQACNKL-GJZGRUSLSA-N 1 0 393.285 2.213 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000570829451 651794171 /nfs/dbraw/zinc/79/41/71/651794171.db2.gz DYYLSMTZVQBLLQ-GFCCVEGCSA-N 1 0 384.318 2.158 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000570837283 651794863 /nfs/dbraw/zinc/79/48/63/651794863.db2.gz QCMJVZGCMKYTLT-ZDUSSCGKSA-N 1 0 382.309 2.148 20 0 GEADRO C[C@@H]1[C@H](C(=O)NCCCNC(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000648759477 651800092 /nfs/dbraw/zinc/80/00/92/651800092.db2.gz FVSTZFKTXQHTEO-IUODEOHRSA-N 1 0 382.302 2.025 20 0 GEADRO C[C@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)n1cc(Br)cn1 ZINC000648770672 651800643 /nfs/dbraw/zinc/80/06/43/651800643.db2.gz WILNUNBUIGBQPV-HIFRSBDPSA-N 1 0 387.322 2.166 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c2ccc(Br)cc2nn1C ZINC000648769950 651800716 /nfs/dbraw/zinc/80/07/16/651800716.db2.gz PACUWGUBMFLGBD-ZDUSSCGKSA-N 1 0 395.301 2.176 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000570940731 651801723 /nfs/dbraw/zinc/80/17/23/651801723.db2.gz KGKADMIOLOSVPA-CYBMUJFWSA-N 1 0 392.301 2.434 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570955348 651801992 /nfs/dbraw/zinc/80/19/92/651801992.db2.gz IHBVDAOZTAWMIV-NJZAAPMLSA-N 1 0 391.295 2.101 20 0 GEADRO CC(C)[C@H]1CN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC[N@@H+]1C ZINC000613968391 651805379 /nfs/dbraw/zinc/80/53/79/651805379.db2.gz RGEWADKTAWDJNH-CYBMUJFWSA-N 1 0 381.274 2.443 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@@H](C[NH3+])C1 ZINC000571073948 651809677 /nfs/dbraw/zinc/80/96/77/651809677.db2.gz NYYKJAGXCGGRGJ-HZPDHXFCSA-N 1 0 393.285 2.213 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614070713 651811711 /nfs/dbraw/zinc/81/17/11/651811711.db2.gz KBNHNXKBQWEBMJ-MRXNPFEDSA-N 1 0 389.265 2.126 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2noc3ccc(Br)cc23)C1 ZINC000614072051 651811787 /nfs/dbraw/zinc/81/17/87/651811787.db2.gz YGPOIDWJXMCRSV-QGZVFWFLSA-N 1 0 396.285 2.048 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000649069492 651813676 /nfs/dbraw/zinc/81/36/76/651813676.db2.gz UYYBQJMZUYCSLY-VBNZEHGJSA-N 1 0 394.313 2.131 20 0 GEADRO Cc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(C)cc1Br ZINC000649073184 651814385 /nfs/dbraw/zinc/81/43/85/651814385.db2.gz QDMQYLDFNFVPFA-ZDUSSCGKSA-N 1 0 382.302 2.258 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)c1ccc(Br)cc1 ZINC000649076896 651814950 /nfs/dbraw/zinc/81/49/50/651814950.db2.gz GICNDVASAWJREQ-CYBMUJFWSA-N 1 0 396.329 2.305 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000571180899 651816012 /nfs/dbraw/zinc/81/60/12/651816012.db2.gz XHAXZQPXVMWJIE-RNFRBKRXSA-N 1 0 382.180 2.258 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1c[nH]c3ncc(Br)cc13)CCO2 ZINC000649130114 651817018 /nfs/dbraw/zinc/81/70/18/651817018.db2.gz YBNUDBMTQSNXKR-UHFFFAOYSA-N 1 0 393.285 2.262 20 0 GEADRO O=C(Cc1cc[nH]c(=O)c1Br)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571248105 651820082 /nfs/dbraw/zinc/82/00/82/651820082.db2.gz GZHAJFHWKDXMOG-HNNXBMFYSA-N 1 0 390.281 2.483 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000649319996 651822809 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Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC000571533493 651838454 /nfs/dbraw/zinc/83/84/54/651838454.db2.gz ODFBLYKKUGADRK-TXEJJXNPSA-N 1 0 398.276 2.293 20 0 GEADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000571539278 651839073 /nfs/dbraw/zinc/83/90/73/651839073.db2.gz DURSNOOZLRJFLZ-GZBFAFLISA-N 1 0 396.333 2.380 20 0 GEADRO C[C@H](C[S@@](C)=O)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000571552345 651839584 /nfs/dbraw/zinc/83/95/84/651839584.db2.gz JTNJZWIMFCGVAA-GYKIULCDSA-N 1 0 384.723 2.199 20 0 GEADRO C[NH+](C)C[C@@H](CO)NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000614855245 651841324 /nfs/dbraw/zinc/84/13/24/651841324.db2.gz WFWAJTBSWIBHMO-NSHDSACASA-N 1 0 375.416 2.286 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccc(Br)c(F)c3)[C@H]2C1 ZINC000650013976 651841498 /nfs/dbraw/zinc/84/14/98/651841498.db2.gz QPOSXOKRIFEGNL-RISCZKNCSA-N 1 0 377.279 2.054 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000571589969 651842322 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C[C@@H]1CCC[N@@H+]1CCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000744350781 652046215 /nfs/dbraw/zinc/04/62/15/652046215.db2.gz WLAXMUKBQHADLG-CQSZACIVSA-N 1 0 385.555 2.137 20 0 GEADRO CO[C@]1(C)C[C@@H]([NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1(C)C ZINC000744449423 652048737 /nfs/dbraw/zinc/04/87/37/652048737.db2.gz WOSMVNJNGRGHCS-DXCKQFNASA-N 1 0 389.949 2.498 20 0 GEADRO CCCOc1c(Br)cc(CN2CCN(C)C[C@@H]2C[NH3+])cc1OC ZINC000574878219 652049028 /nfs/dbraw/zinc/04/90/28/652049028.db2.gz QEPDSWXKGIBUNC-AWEZNQCLSA-N 1 0 386.334 2.321 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000744695328 652057900 /nfs/dbraw/zinc/05/79/00/652057900.db2.gz XRRQQQZQGLZTKK-UHFFFAOYSA-N 1 0 376.284 2.478 20 0 GEADRO COc1ncc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Br ZINC000575038731 652060303 /nfs/dbraw/zinc/06/03/03/652060303.db2.gz NLOPJPPETLHNEJ-UKRRQHHQSA-N 1 0 398.301 2.211 20 0 GEADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ncccc1Br ZINC000656866526 652062429 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GEADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000575586222 652072505 /nfs/dbraw/zinc/07/25/05/652072505.db2.gz BLDXAYWLQWCBSD-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)CCc1ccccc1)c1ccc(Cl)s1 ZINC000575797478 652078457 /nfs/dbraw/zinc/07/84/57/652078457.db2.gz WFPRTFLFDMQAMG-CQSZACIVSA-N 1 0 388.942 2.263 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000619893679 652083352 /nfs/dbraw/zinc/08/33/52/652083352.db2.gz TVYXMFLLUKNBCL-HNNXBMFYSA-N 1 0 382.302 2.170 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000619896533 652083438 /nfs/dbraw/zinc/08/34/38/652083438.db2.gz YMGRZFPSQAOKDI-UONOGXRCSA-N 1 0 394.313 2.403 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)cc(Br)c3)C[C@@H]21 ZINC000657002790 652083548 /nfs/dbraw/zinc/08/35/48/652083548.db2.gz OJQSELYSVMCZNA-RNCFNFMXSA-N 1 0 379.707 2.427 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000619894274 652083652 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GEADRO C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000620075993 652089477 /nfs/dbraw/zinc/08/94/77/652089477.db2.gz XNKFZPRQEWFQAH-NWDGAFQWSA-N 1 0 376.284 2.127 20 0 GEADRO CC(C)(CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1cccc(Br)c1 ZINC000576014499 652090748 /nfs/dbraw/zinc/09/07/48/652090748.db2.gz YQOHFHDKAZTUJN-HNNXBMFYSA-N 1 0 384.318 2.404 20 0 GEADRO O=C(CCOC1C[NH2+]C1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000576028892 652091208 /nfs/dbraw/zinc/09/12/08/652091208.db2.gz AGZXKHPYQVUBIP-UHFFFAOYSA-N 1 0 386.323 2.453 20 0 GEADRO Cc1sc2c(cccc2C)c1S(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000576107689 652097491 /nfs/dbraw/zinc/09/74/91/652097491.db2.gz YPSYSEFJOAUSHO-OAHLLOKOSA-N 1 0 379.551 2.186 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000620339432 652101273 /nfs/dbraw/zinc/10/12/73/652101273.db2.gz HLVKSJNPCRPKGP-IRXDYDNUSA-N 1 0 380.330 2.276 20 0 GEADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000576272132 652101294 /nfs/dbraw/zinc/10/12/94/652101294.db2.gz RHDFESWWPXRLLO-RRFJBIMHSA-N 1 0 375.918 2.334 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000657071576 652102879 /nfs/dbraw/zinc/10/28/79/652102879.db2.gz QZGMOAUCQLFKHJ-AWEZNQCLSA-N 1 0 391.965 2.037 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000657072274 652102915 /nfs/dbraw/zinc/10/29/15/652102915.db2.gz ZKSAROMKFIWXKO-ZDUSSCGKSA-N 1 0 379.929 2.171 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000620527390 652106327 /nfs/dbraw/zinc/10/63/27/652106327.db2.gz NUIDIIUQAIHQJZ-JTQLQIEISA-N 1 0 376.320 2.087 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000620541172 652106763 /nfs/dbraw/zinc/10/67/63/652106763.db2.gz FWRFVYVMFBITOG-CYBMUJFWSA-N 1 0 375.922 2.143 20 0 GEADRO O=S(=O)(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657086118 652107827 /nfs/dbraw/zinc/10/78/27/652107827.db2.gz PPAOBDJDVYAOLA-KRWDZBQOSA-N 1 0 380.897 2.385 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](CCCCO)CC1 ZINC000746484193 652110410 /nfs/dbraw/zinc/11/04/10/652110410.db2.gz LNFZXNNCEONOJF-AWEZNQCLSA-N 1 0 384.318 2.166 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1Br ZINC000657091802 652111381 /nfs/dbraw/zinc/11/13/81/652111381.db2.gz PGWOWZFJMXEPEI-JTQLQIEISA-N 1 0 392.319 2.026 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1(S(C)(=O)=O)CC1 ZINC000576393150 652113276 /nfs/dbraw/zinc/11/32/76/652113276.db2.gz UKKWOZYUDMOUJX-GHMZBOCLSA-N 1 0 382.309 2.288 20 0 GEADRO CN(C(=O)c1ccc(Br)nc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000746603124 652116612 /nfs/dbraw/zinc/11/66/12/652116612.db2.gz HUBDOWWXPOJBPD-HNNXBMFYSA-N 1 0 381.318 2.085 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3csc(C)n3)CC2)cc1 ZINC000620759334 652120440 /nfs/dbraw/zinc/12/04/40/652120440.db2.gz SSTFFGKWMKFRMY-UHFFFAOYSA-N 1 0 381.523 2.403 20 0 GEADRO C[NH+](C)C[C@H](CNS(=O)(=O)c1cnc2n1CCC2)c1ccc(Cl)cc1 ZINC000576471045 652120594 /nfs/dbraw/zinc/12/05/94/652120594.db2.gz WXAWGGPULHKRSJ-AWEZNQCLSA-N 1 0 382.917 2.106 20 0 GEADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)CCn1cc(Br)cn1 ZINC000620913647 652126642 /nfs/dbraw/zinc/12/66/42/652126642.db2.gz DNIRGOZZLVSCPL-OAHLLOKOSA-N 1 0 399.333 2.138 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000576604056 652130692 /nfs/dbraw/zinc/13/06/92/652130692.db2.gz JQDOVVRKGRZLEE-UHFFFAOYSA-N 1 0 398.345 2.480 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC[NH2+]1 ZINC000621151698 652132949 /nfs/dbraw/zinc/13/29/49/652132949.db2.gz GRTDHBKQDIDGGZ-MNOVXSKESA-N 1 0 388.331 2.085 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC(=O)N1CCCCCC1 ZINC000576684354 652137350 /nfs/dbraw/zinc/13/73/50/652137350.db2.gz CESQOYKXXIHFGD-CQSZACIVSA-N 1 0 384.318 2.382 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000576694806 652138157 /nfs/dbraw/zinc/13/81/57/652138157.db2.gz XXAAPRAUGKFDCX-UHFFFAOYSA-N 1 0 390.709 2.129 20 0 GEADRO COc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Br)cn1 ZINC000621271402 652140307 /nfs/dbraw/zinc/14/03/07/652140307.db2.gz GRBCHEWGDHOZAW-YOEHRIQHSA-N 1 0 397.361 2.311 20 0 GEADRO O[C@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1ccc(Br)cc1 ZINC000576746980 652141815 /nfs/dbraw/zinc/14/18/15/652141815.db2.gz NHFSLKIHSFQWOG-CQSZACIVSA-N 1 0 398.326 2.323 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc([C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000576754624 652142657 /nfs/dbraw/zinc/14/26/57/652142657.db2.gz VSVNSXHUFAPVNI-DTWKUNHWSA-N 1 0 393.241 2.340 20 0 GEADRO CCc1cc(CN[C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)on1 ZINC000576807401 652144079 /nfs/dbraw/zinc/14/40/79/652144079.db2.gz OZWFYQOTAURXEA-SECBINFHSA-N 1 0 388.287 2.498 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ncccc1Br ZINC000657180584 652144428 /nfs/dbraw/zinc/14/44/28/652144428.db2.gz ZDVPCBBPUQGLRS-GFCCVEGCSA-N 1 0 376.320 2.243 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)CN1CCOCC1 ZINC000576816431 652144767 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CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NC[C@H]([NH3+])CC ZINC000576989248 652160755 /nfs/dbraw/zinc/16/07/55/652160755.db2.gz OHNHZZAYHFGSKS-HUUCEWRRSA-N 1 0 399.333 2.271 20 0 GEADRO CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000747384330 652161320 /nfs/dbraw/zinc/16/13/20/652161320.db2.gz XFYBQDDELJSSQE-QGZVFWFLSA-N 1 0 379.551 2.404 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)CCO2 ZINC000657427800 652164050 /nfs/dbraw/zinc/16/40/50/652164050.db2.gz FDYXCTRQANQPJV-BBRMVZONSA-N 1 0 379.400 2.253 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c(F)cncc1Br ZINC000657465016 652165766 /nfs/dbraw/zinc/16/57/66/652165766.db2.gz VBSHKTUHYNFCLO-QMTHXVAHSA-N 1 0 394.310 2.181 20 0 GEADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cc(Br)c[nH]c2=O)c1 ZINC000621628818 652165786 /nfs/dbraw/zinc/16/57/86/652165786.db2.gz JOZPZUGYWXOBDH-UHFFFAOYSA-N 1 0 394.269 2.420 20 0 GEADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C2 ZINC000577172519 652167332 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Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000657531566 652170665 /nfs/dbraw/zinc/17/06/65/652170665.db2.gz LWNVUDWXLUTBLK-SECBINFHSA-N 1 0 376.682 2.416 20 0 GEADRO C[C@@H](CNC(=S)NCc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000747647986 652172239 /nfs/dbraw/zinc/17/22/39/652172239.db2.gz GMAMRFDWVJUESM-AWEZNQCLSA-N 1 0 399.402 2.297 20 0 GEADRO C[NH+]1CCN(CCCNC(=S)NCc2ccc(Br)cc2)CC1 ZINC000747647112 652172276 /nfs/dbraw/zinc/17/22/76/652172276.db2.gz REYZSPAENHGVRD-UHFFFAOYSA-N 1 0 385.375 2.051 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000657548597 652172633 /nfs/dbraw/zinc/17/26/33/652172633.db2.gz ZJPJKGMYQXAXMY-UHFFFAOYSA-N 1 0 386.880 2.364 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000577244308 652173030 /nfs/dbraw/zinc/17/30/30/652173030.db2.gz XXZNBGXLARLDDK-AWEZNQCLSA-N 1 0 386.338 2.407 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000657565413 652174182 /nfs/dbraw/zinc/17/41/82/652174182.db2.gz OFFWNHLRNLLCFF-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000577269555 652174697 /nfs/dbraw/zinc/17/46/97/652174697.db2.gz VLNHOHSPMPLLCC-XHDPSFHLSA-N 1 0 385.295 2.479 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(F)c(Br)cc1F)C2 ZINC000622014435 652174947 /nfs/dbraw/zinc/17/49/47/652174947.db2.gz DYYPSIQDNLERKZ-SDBXPKJASA-N 1 0 381.242 2.229 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622014870 652175127 /nfs/dbraw/zinc/17/51/27/652175127.db2.gz LVDQCJJHPUEGHO-YMTOWFKASA-N 1 0 393.278 2.099 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1cc(F)ccc1Br ZINC000577324675 652179339 /nfs/dbraw/zinc/17/93/39/652179339.db2.gz RGWLVDHAKKBEPW-CQSZACIVSA-N 1 0 375.282 2.340 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C)c1ccc(Br)cc1 ZINC000577356230 652181284 /nfs/dbraw/zinc/18/12/84/652181284.db2.gz HHUHKVMIPMYEHU-HFBAOOFYSA-N 1 0 382.302 2.355 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cscc3C(F)(F)F)CC2)C1=O ZINC000622052124 652181949 /nfs/dbraw/zinc/18/19/49/652181949.db2.gz BIVIWAPJBBVJCB-ZDUSSCGKSA-N 1 0 375.416 2.192 20 0 GEADRO O=C(Nc1cccc(Br)c1F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000657630100 652182303 /nfs/dbraw/zinc/18/23/03/652182303.db2.gz TWMDDHGRMNGCSD-NSHDSACASA-N 1 0 384.249 2.127 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000747858691 652182752 /nfs/dbraw/zinc/18/27/52/652182752.db2.gz XHGOSYLPBLUKHC-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO COc1cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc(Br)c1O ZINC000657635568 652183179 /nfs/dbraw/zinc/18/31/79/652183179.db2.gz UVNWAILOMHOSPR-KOLCDFICSA-N 1 0 378.288 2.219 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000657650767 652185700 /nfs/dbraw/zinc/18/57/00/652185700.db2.gz VMXDPPDLWWJMGA-CYBMUJFWSA-N 1 0 386.265 2.292 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(SC)ccc1Cl ZINC000657651346 652186119 /nfs/dbraw/zinc/18/61/19/652186119.db2.gz ADLBCGAIGKMYOF-GFCCVEGCSA-N 1 0 385.917 2.227 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CCC23CC[NH+](C)CC3)C(F)(F)F)n1 ZINC000747978529 652186798 /nfs/dbraw/zinc/18/67/98/652186798.db2.gz PCPCXZNREGOUAF-OAHLLOKOSA-N 1 0 377.432 2.288 20 0 GEADRO Cn1c2ccc(C[NH2+]CCn3cc(Br)ccc3=O)cc2sc1=O ZINC000577458708 652189762 /nfs/dbraw/zinc/18/97/62/652189762.db2.gz WYCHVPHJCXGMQA-UHFFFAOYSA-N 1 0 394.294 2.314 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657689158 652191725 /nfs/dbraw/zinc/19/17/25/652191725.db2.gz MVTRANPQSHMBRQ-NSHDSACASA-N 1 0 386.265 2.469 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000577492336 652192407 /nfs/dbraw/zinc/19/24/07/652192407.db2.gz IJPBGIBSDSOJHU-QWRGUYRKSA-N 1 0 386.823 2.486 20 0 GEADRO COCC[NH2+]CCNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000577508419 652193668 /nfs/dbraw/zinc/19/36/68/652193668.db2.gz LONDPOVMTPGYJB-UHFFFAOYSA-N 1 0 385.180 2.314 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1Cl ZINC000622416329 652195136 /nfs/dbraw/zinc/19/51/36/652195136.db2.gz KZWCVDRCBVDAQP-CQSZACIVSA-N 1 0 385.917 2.412 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000748241699 652196386 /nfs/dbraw/zinc/19/63/86/652196386.db2.gz FBCWZKWEFGYHSH-UKPHBRMFSA-N 1 0 389.949 2.235 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000657757801 652201564 /nfs/dbraw/zinc/20/15/64/652201564.db2.gz PSIQVIPJCBQOJN-UHFFFAOYSA-N 1 0 376.272 2.235 20 0 GEADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000577713666 652209749 /nfs/dbraw/zinc/20/97/49/652209749.db2.gz VUZBGRVFAVGKKZ-VNHYZAJKSA-N 1 0 379.913 2.346 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cccc(Br)c1F)C1CC[NH+](C)CC1 ZINC000657836902 652209719 /nfs/dbraw/zinc/20/97/19/652209719.db2.gz XOFWUYNNCBHUHM-JTQLQIEISA-N 1 0 386.265 2.373 20 0 GEADRO C[S@](=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000577742472 652212499 /nfs/dbraw/zinc/21/24/99/652212499.db2.gz STKFMNKJPXSGLT-FIKIJFGZSA-N 1 0 396.734 2.343 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000577751748 652212926 /nfs/dbraw/zinc/21/29/26/652212926.db2.gz SIMKSYFJPUELHC-CHWSQXEVSA-N 1 0 386.901 2.137 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000577761546 652213501 /nfs/dbraw/zinc/21/35/01/652213501.db2.gz ZTGMRPUUHXAZLE-UHFFFAOYSA-N 1 0 384.318 2.256 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623023554 652217021 /nfs/dbraw/zinc/21/70/21/652217021.db2.gz NENKLMKTIOXLPI-CYBMUJFWSA-N 1 0 393.289 2.027 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000577829883 652219721 /nfs/dbraw/zinc/21/97/21/652219721.db2.gz PONIYIPVISAAEL-BETUJISGSA-N 1 0 380.286 2.154 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1nc2cc(Cl)ccc2s1 ZINC000623068634 652222504 /nfs/dbraw/zinc/22/25/04/652222504.db2.gz GBITXEBXVNICKJ-LBPRGKRZSA-N 1 0 380.901 2.409 20 0 GEADRO O=S(=O)(c1c(F)cccc1Cl)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000577858654 652223530 /nfs/dbraw/zinc/22/35/30/652223530.db2.gz NSIQHZLTWKURBT-UHFFFAOYSA-N 1 0 384.864 2.305 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cncn1C ZINC000623085920 652224715 /nfs/dbraw/zinc/22/47/15/652224715.db2.gz NJKUSCASUDUJRD-LBPRGKRZSA-N 1 0 395.301 2.028 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000577867874 652224833 /nfs/dbraw/zinc/22/48/33/652224833.db2.gz FMRYUCXRAKLXBV-INIZCTEOSA-N 1 0 396.329 2.084 20 0 GEADRO Cn1cncc1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000623086243 652224818 /nfs/dbraw/zinc/22/48/18/652224818.db2.gz DSDFJXARHAQSMM-UHFFFAOYSA-N 1 0 379.302 2.352 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)n1 ZINC000577885054 652226453 /nfs/dbraw/zinc/22/64/53/652226453.db2.gz BSWUMYCLXJXHAP-XJKSGUPXSA-N 1 0 377.286 2.493 20 0 GEADRO C[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(Br)c(Cl)c1 ZINC000658028413 652233069 /nfs/dbraw/zinc/23/30/69/652233069.db2.gz UFLRKSPOIIELRD-RNCFNFMXSA-N 1 0 382.707 2.303 20 0 GEADRO COc1cc(C[NH2+]Cc2cc(C)c(Br)cn2)ccc1OCC(N)=O ZINC000623380503 652233378 /nfs/dbraw/zinc/23/33/78/652233378.db2.gz BNQLZYIDYQFLMF-UHFFFAOYSA-N 1 0 394.269 2.315 20 0 GEADRO CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658072440 652235059 /nfs/dbraw/zinc/23/50/59/652235059.db2.gz OAAWWHZGMOGDCZ-VNQPRFMTSA-N 1 0 390.933 2.340 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cccc(CO)c1 ZINC000658091286 652235515 /nfs/dbraw/zinc/23/55/15/652235515.db2.gz DDIXDJJCEWAKDA-LBPRGKRZSA-N 1 0 378.270 2.417 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Br ZINC000658122680 652238537 /nfs/dbraw/zinc/23/85/37/652238537.db2.gz HICWRDLPYZJLRB-LBPRGKRZSA-N 1 0 398.301 2.385 20 0 GEADRO OCCO[C@@]1(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CCOC1 ZINC000658147433 652239388 /nfs/dbraw/zinc/23/93/88/652239388.db2.gz BMVDIRUIKSJODG-DOTOQJQBSA-N 1 0 386.286 2.420 20 0 GEADRO OCCO[C@@]1(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CCOC1 ZINC000658149576 652239972 /nfs/dbraw/zinc/23/99/72/652239972.db2.gz UCDDFHIAANVNKX-DOTOQJQBSA-N 1 0 386.286 2.420 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000578062078 652240216 /nfs/dbraw/zinc/24/02/16/652240216.db2.gz UQLNKLDOWAIHRG-SMDDNHRTSA-N 1 0 393.289 2.147 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000578122082 652245201 /nfs/dbraw/zinc/24/52/01/652245201.db2.gz PLGFYHKZANUQTP-UONOGXRCSA-N 1 0 387.311 2.250 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Br ZINC000658261538 652247889 /nfs/dbraw/zinc/24/78/89/652247889.db2.gz LNFUZUNBVYOHAJ-GFCCVEGCSA-N 1 0 398.301 2.385 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC/C=C/c1ccc(Br)cc1 ZINC000623599567 652248905 /nfs/dbraw/zinc/24/89/05/652248905.db2.gz LNUIWHXXBJKTGO-RCFWFJCLSA-N 1 0 395.345 2.397 20 0 GEADRO OCCCC[NH+]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000749366766 652249243 /nfs/dbraw/zinc/24/92/43/652249243.db2.gz RODVHSDBCSFGLE-AWEZNQCLSA-N 1 0 377.312 2.123 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000658281250 652249421 /nfs/dbraw/zinc/24/94/21/652249421.db2.gz OOGDSZKYSKHLCV-CYBMUJFWSA-N 1 0 376.473 2.061 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749395711 652250910 /nfs/dbraw/zinc/25/09/10/652250910.db2.gz HCSVMTZVMOBFMH-CYBMUJFWSA-N 1 0 393.289 2.029 20 0 GEADRO Brc1ccsc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623651791 652252069 /nfs/dbraw/zinc/25/20/69/652252069.db2.gz VLEGGMFXORCBAX-JTQLQIEISA-N 1 0 379.287 2.317 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000623661744 652252660 /nfs/dbraw/zinc/25/26/60/652252660.db2.gz BMXCWNSSKUFXPK-NNUKFRKNSA-N 1 0 394.313 2.216 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Cl)c1OC ZINC000623670411 652252740 /nfs/dbraw/zinc/25/27/40/652252740.db2.gz PKCYFVVLYGRWGB-CHWSQXEVSA-N 1 0 376.906 2.307 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc3ncc(I)n3c2)C1 ZINC000749413405 652253058 /nfs/dbraw/zinc/25/30/58/652253058.db2.gz JHWFNZFLDYEZRT-NSHDSACASA-N 1 0 398.248 2.011 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000658341878 652254589 /nfs/dbraw/zinc/25/45/89/652254589.db2.gz BRTQQUKFIOVIQK-ZDUSSCGKSA-N 1 0 384.318 2.415 20 0 GEADRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000578224041 652254667 /nfs/dbraw/zinc/25/46/67/652254667.db2.gz NWVCNIMCFFMKEZ-ABAIWWIYSA-N 1 0 377.286 2.245 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000749448458 652254874 /nfs/dbraw/zinc/25/48/74/652254874.db2.gz UPBYMZHZCGTNQF-CHWSQXEVSA-N 1 0 393.289 2.027 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000623712728 652255401 /nfs/dbraw/zinc/25/54/01/652255401.db2.gz JZAMGTDWEDRTCC-GFCCVEGCSA-N 1 0 385.306 2.384 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(F)c1C)[C@H]1CC[N@H+](C)C1 ZINC000658360745 652255366 /nfs/dbraw/zinc/25/53/66/652255366.db2.gz QQLBUFASVNGFOY-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244748 652256223 /nfs/dbraw/zinc/25/62/23/652256223.db2.gz IFILUNCKNJXPCN-OLZOCXBDSA-N 1 0 381.464 2.280 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(C)c(Br)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658361448 652256099 /nfs/dbraw/zinc/25/60/99/652256099.db2.gz MTLOTTGBBKONNR-GFCCVEGCSA-N 1 0 386.265 2.388 20 0 GEADRO CC[NH+]1CCC(CNC(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000623717461 652256431 /nfs/dbraw/zinc/25/64/31/652256431.db2.gz BUQZRVXAWRWEPB-UHFFFAOYSA-N 1 0 385.306 2.384 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000658365311 652256948 /nfs/dbraw/zinc/25/69/48/652256948.db2.gz NPQOOTCABNRFEG-LBPRGKRZSA-N 1 0 377.304 2.268 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000658363101 652257175 /nfs/dbraw/zinc/25/71/75/652257175.db2.gz ZBTLRHPYBJYDFR-GFCCVEGCSA-N 1 0 395.301 2.213 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000658374283 652259560 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2.198 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000578350170 652264668 /nfs/dbraw/zinc/26/46/68/652264668.db2.gz GYDFWZBATIVECA-ZDUSSCGKSA-N 1 0 392.905 2.012 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000578350333 652264964 /nfs/dbraw/zinc/26/49/64/652264964.db2.gz LYYYOGHOXKADMQ-VJFUWPCTSA-N 1 0 389.945 2.411 20 0 GEADRO CC[C@H](C)NC(=S)NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000749759432 652265666 /nfs/dbraw/zinc/26/56/66/652265666.db2.gz XAIASUICDDZANF-AWEZNQCLSA-N 1 0 379.599 2.293 20 0 GEADRO C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@H](C[NH3+])C1 ZINC000658400639 652265967 /nfs/dbraw/zinc/26/59/67/652265967.db2.gz PPJAPMKHSYXWOI-BDAKNGLRSA-N 1 0 383.258 2.475 20 0 GEADRO CC[C@H](C)NC(=S)N(CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000749759922 652266543 /nfs/dbraw/zinc/26/65/43/652266543.db2.gz AWNLJMFUCTVIOT-JKSUJKDBSA-N 1 0 377.620 2.267 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000624044982 652267364 /nfs/dbraw/zinc/26/73/64/652267364.db2.gz KIVPSJDPSKBZDI-JKSUJKDBSA-N 1 0 394.313 2.264 20 0 GEADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(Br)cc1Br ZINC000658411192 652268321 /nfs/dbraw/zinc/26/83/21/652268321.db2.gz MYZXMSHSUONAQZ-ZETCQYMHSA-N 1 0 386.109 2.098 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000749829747 652269280 /nfs/dbraw/zinc/26/92/80/652269280.db2.gz YCEOORLBVVZYFH-HIFRSBDPSA-N 1 0 384.571 2.096 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1)[NH+](C)C ZINC000658429852 652271028 /nfs/dbraw/zinc/27/10/28/652271028.db2.gz YJBKCUQXXUHGCM-JTQLQIEISA-N 1 0 381.889 2.253 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1)C1CCS(=O)(=O)CC1 ZINC000624118389 652271246 /nfs/dbraw/zinc/27/12/46/652271246.db2.gz GVZYFYCCMCXNMV-KSSFIOAISA-N 1 0 386.945 2.348 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000624118262 652271725 /nfs/dbraw/zinc/27/17/25/652271725.db2.gz CVQAAAJZUQXGSZ-OKZBNKHCSA-N 1 0 386.945 2.491 20 0 GEADRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)nnn1-c1cccc(Br)c1 ZINC000624130485 652272322 /nfs/dbraw/zinc/27/23/22/652272322.db2.gz PETCXYZNASHCPS-GAFUQQFSSA-N 1 0 378.274 2.253 20 0 GEADRO Cc1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1I ZINC000578441778 652273043 /nfs/dbraw/zinc/27/30/43/652273043.db2.gz AAKWXWHBBAPFDY-NSHDSACASA-N 1 0 380.176 2.327 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000578442795 652273083 /nfs/dbraw/zinc/27/30/83/652273083.db2.gz INECEBLCCGAZRI-IINYFYTJSA-N 1 0 397.324 2.295 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000578446875 652273925 /nfs/dbraw/zinc/27/39/25/652273925.db2.gz IJKGFFMZCJPRJE-VIFPVBQESA-N 1 0 394.686 2.422 20 0 GEADRO [NH3+][C@H]1C[C@@H]2CN(c3nnc(-c4cc(Cl)cc(Cl)c4)s3)CCN2C1=O ZINC000578453850 652274551 /nfs/dbraw/zinc/27/45/51/652274551.db2.gz HVUMMUFVRKWONQ-NEPJUHHUSA-N 1 0 384.292 2.260 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)cc1F)[C@H]1CC[N@H+](CC)C1 ZINC000658464712 652276198 /nfs/dbraw/zinc/27/61/98/652276198.db2.gz SQGXZKCIXMABNZ-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Br)cnc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000658467699 652277106 /nfs/dbraw/zinc/27/71/06/652277106.db2.gz NLFCYWDLFHUONR-CYBMUJFWSA-N 1 0 383.290 2.034 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(F)ccc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000658468134 652277708 /nfs/dbraw/zinc/27/77/08/652277708.db2.gz LGWFIIGIKGJWTH-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)c2cccc(Br)c21 ZINC000624281115 652279798 /nfs/dbraw/zinc/27/97/98/652279798.db2.gz ZOCXTPHWQQMFFB-YGRLFVJLSA-N 1 0 388.331 2.078 20 0 GEADRO CC[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000624285492 652280769 /nfs/dbraw/zinc/28/07/69/652280769.db2.gz UVFBVDIKRWXPPK-CQSZACIVSA-N 1 0 381.420 2.117 20 0 GEADRO CCN(CC[NH3+])S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000624381444 652285546 /nfs/dbraw/zinc/28/55/46/652285546.db2.gz OZPUXXSKZOXAGA-UHFFFAOYSA-N 1 0 375.210 2.437 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC[C@@H]1C(F)(F)F ZINC000624390694 652287104 /nfs/dbraw/zinc/28/71/04/652287104.db2.gz GGYGRVJKXLSCQC-SCZZXKLOSA-N 1 0 391.337 2.248 20 0 GEADRO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624391038 652287853 /nfs/dbraw/zinc/28/78/53/652287853.db2.gz ONEUMHBTAHZSDT-OLZOCXBDSA-N 1 0 382.452 2.229 20 0 GEADRO CC(C)Oc1cncc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000624392262 652288868 /nfs/dbraw/zinc/28/88/68/652288868.db2.gz NFJZHOQOJBGOER-SMDDNHRTSA-N 1 0 381.420 2.017 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc3c2OCCC3)CC[C@@H]1C(F)(F)F ZINC000624392173 652289005 /nfs/dbraw/zinc/28/90/05/652289005.db2.gz LBEYTXNSLWGBFX-STQMWFEESA-N 1 0 378.416 2.159 20 0 GEADRO CC(C)Oc1cncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000624392260 652289117 /nfs/dbraw/zinc/28/91/17/652289117.db2.gz NFJZHOQOJBGOER-FZMZJTMJSA-N 1 0 381.420 2.017 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000624392548 652289548 /nfs/dbraw/zinc/28/95/48/652289548.db2.gz UDWFCKZIRPLQLN-IUCAKERBSA-N 1 0 391.337 2.248 20 0 GEADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000624396496 652290308 /nfs/dbraw/zinc/29/03/08/652290308.db2.gz UKHHRWPUUGIACT-UHFFFAOYSA-N 1 0 389.930 2.320 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000624405402 652291114 /nfs/dbraw/zinc/29/11/14/652291114.db2.gz JMQIGKDZDKQGHS-OBJOEFQTSA-N 1 0 376.906 2.173 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000624405403 652291187 /nfs/dbraw/zinc/29/11/87/652291187.db2.gz JMQIGKDZDKQGHS-SGMGOOAPSA-N 1 0 376.906 2.173 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000624405692 652291694 /nfs/dbraw/zinc/29/16/94/652291694.db2.gz OQHIJBPQHNYACX-TZMCWYRMSA-N 1 0 376.906 2.174 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)Cc1cc(F)ccc1Br)C2 ZINC000624411244 652291896 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CCOC1(CS(=O)(=O)NCCCC[NH+]2CCC(C)CC2)CCOCC1 ZINC000624859485 652306764 /nfs/dbraw/zinc/30/67/64/652306764.db2.gz QSAXLKDPLCEOII-UHFFFAOYSA-N 1 0 376.563 2.004 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cccnc1OCC(F)F)[N@@H+]1CCCC[C@H]1C ZINC000624855531 652306849 /nfs/dbraw/zinc/30/68/49/652306849.db2.gz ZJQVZWIKARKHQR-OLZOCXBDSA-N 1 0 377.457 2.267 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000579027523 652312573 /nfs/dbraw/zinc/31/25/73/652312573.db2.gz LDIGBMHECIBWFZ-QGZVFWFLSA-N 1 0 388.917 2.464 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000658780549 652312964 /nfs/dbraw/zinc/31/29/64/652312964.db2.gz YFYYJVLYOANPAG-JTQLQIEISA-N 1 0 390.228 2.266 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000658778702 652313300 /nfs/dbraw/zinc/31/33/00/652313300.db2.gz OUIVMYAQLUAVFK-NSHDSACASA-N 1 0 375.803 2.480 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCCS1)c1ccc(Cl)cc1 ZINC000579034922 652313260 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C[C@@H]1CC[N@H+](CCNS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000579081037 652315511 /nfs/dbraw/zinc/31/55/11/652315511.db2.gz WZFIKFOPJBUPOL-LLVKDONJSA-N 1 0 379.295 2.349 20 0 GEADRO OC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@H]1CCCOC1 ZINC000579085046 652316261 /nfs/dbraw/zinc/31/62/61/652316261.db2.gz ZRWRMMFUXQERAW-SWLSCSKDSA-N 1 0 386.286 2.488 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000579108086 652317911 /nfs/dbraw/zinc/31/79/11/652317911.db2.gz PMYPDUDCZIUEKK-MRVPVSSYSA-N 1 0 377.080 2.288 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000751005712 652319584 /nfs/dbraw/zinc/31/95/84/652319584.db2.gz XCQWDWBLADZANR-NEPJUHHUSA-N 1 0 389.905 2.063 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]2c2ccc(Br)cc2)C1 ZINC000658892863 652325447 /nfs/dbraw/zinc/32/54/47/652325447.db2.gz HWUVGPKBNCVKCO-HZPDHXFCSA-N 1 0 394.313 2.275 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)CCCC[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000579227757 652326751 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GEADRO CC[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000579470159 652340237 /nfs/dbraw/zinc/34/02/37/652340237.db2.gz WRIKKBMEYUACLK-CJNGLKHVSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000659079354 652340990 /nfs/dbraw/zinc/34/09/90/652340990.db2.gz SMRLILKYWBCAAR-MRVPVSSYSA-N 1 0 390.228 2.252 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659081801 652341106 /nfs/dbraw/zinc/34/11/06/652341106.db2.gz QYLNCLHYGLMCHQ-NEPJUHHUSA-N 1 0 394.313 2.269 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000659089245 652342497 /nfs/dbraw/zinc/34/24/97/652342497.db2.gz COHPIXOILQQYJE-UHFFFAOYSA-N 1 0 379.258 2.132 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc3cncc(Br)c32)CCCC1 ZINC000659097621 652343413 /nfs/dbraw/zinc/34/34/13/652343413.db2.gz CMDRBVOHDWMPJN-UHFFFAOYSA-N 1 0 391.269 2.324 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659100507 652343455 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C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000659114622 652344949 /nfs/dbraw/zinc/34/49/49/652344949.db2.gz XYEBHFGWICLFTC-ZCFIWIBFSA-N 1 0 383.073 2.419 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cn(-c2ccc(Br)cc2)cn1 ZINC000579590930 652345981 /nfs/dbraw/zinc/34/59/81/652345981.db2.gz NWHFBHRTADNJLH-CYBMUJFWSA-N 1 0 385.212 2.362 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000659245615 652350052 /nfs/dbraw/zinc/35/00/52/652350052.db2.gz ASNIJYPSYIIMSV-GWCFXTLKSA-N 1 0 397.273 2.429 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)Nc1cc(Br)cnc1-n1cccn1 ZINC000579688353 652350484 /nfs/dbraw/zinc/35/04/84/652350484.db2.gz JADXXIUPCUNOCB-UHFFFAOYSA-N 1 0 377.246 2.071 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)C2([NH3+])CC3(CCC3)C2)ccc1Br ZINC000659253681 652350751 /nfs/dbraw/zinc/35/07/51/652350751.db2.gz YOQVOSYMYAIZHM-UHFFFAOYSA-N 1 0 380.286 2.474 20 0 GEADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc(O)cc(Br)c3)C2)CC1 ZINC000625521756 652352121 /nfs/dbraw/zinc/35/21/21/652352121.db2.gz HPSRVUNQUGLRDN-AWEZNQCLSA-N 1 0 382.302 2.053 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000751452604 652352594 /nfs/dbraw/zinc/35/25/94/652352594.db2.gz BGNUFXATLBLVGQ-LBPRGKRZSA-N 1 0 389.905 2.017 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)C[C@H]21 ZINC000659304543 652353419 /nfs/dbraw/zinc/35/34/19/652353419.db2.gz UTKNWNWBAAYSJR-LERXQTSPSA-N 1 0 381.270 2.420 20 0 GEADRO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)n1 ZINC000751469078 652354377 /nfs/dbraw/zinc/35/43/77/652354377.db2.gz SGMCCNHZXVBWQO-AWEZNQCLSA-N 1 0 391.317 2.489 20 0 GEADRO CS(=O)(=O)C1(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC[NH2+]CC1 ZINC000659339117 652354605 /nfs/dbraw/zinc/35/46/05/652354605.db2.gz ZIARQXNZBLZWHB-UHFFFAOYSA-N 1 0 391.320 2.045 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659358278 652354895 /nfs/dbraw/zinc/35/48/95/652354895.db2.gz IBIYDWZLPJSAGO-GJZGRUSLSA-N 1 0 385.327 2.444 20 0 GEADRO C[C@H]([NH2+]CC1=CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000579798961 652354921 /nfs/dbraw/zinc/35/49/21/652354921.db2.gz PNKCFYNYAOQIBU-JTQLQIEISA-N 1 0 375.288 2.094 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000659366478 652355287 /nfs/dbraw/zinc/35/52/87/652355287.db2.gz FYSPWAPPDIBAPG-HOTGVXAUSA-N 1 0 383.286 2.118 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000579812991 652355939 /nfs/dbraw/zinc/35/59/39/652355939.db2.gz YPFVDAGGWCQWTD-UHFFFAOYSA-N 1 0 380.286 2.380 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)COc1ccccc1 ZINC000579872968 652359087 /nfs/dbraw/zinc/35/90/87/652359087.db2.gz KBJDLEXPRHWNPZ-HZPDHXFCSA-N 1 0 396.281 2.218 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N(C)CC(C)(C)[NH3+])nc12 ZINC000659480084 652359091 /nfs/dbraw/zinc/35/90/91/652359091.db2.gz DTMIMXPTMBVHLA-UHFFFAOYSA-N 1 0 382.306 2.326 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659482013 652359147 /nfs/dbraw/zinc/35/91/47/652359147.db2.gz OBZREBKGRWIBTE-ZIAGYGMSSA-N 1 0 388.281 2.471 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000659499269 652359812 /nfs/dbraw/zinc/35/98/12/652359812.db2.gz HPKCAHMJKVZWSJ-ZDUSSCGKSA-N 1 0 384.322 2.104 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659514713 652359877 /nfs/dbraw/zinc/35/98/77/652359877.db2.gz UJUUXVBVHGRCIO-AWEZNQCLSA-N 1 0 381.318 2.280 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000659500104 652359934 /nfs/dbraw/zinc/35/99/34/652359934.db2.gz QTKGHWQVUKQAJS-ZDUSSCGKSA-N 1 0 384.322 2.104 20 0 GEADRO O[C@H](C[NH2+]CCOc1ncccc1F)COc1ccc(Br)cc1 ZINC000579943734 652360587 /nfs/dbraw/zinc/36/05/87/652360587.db2.gz QSCDXKRXESZQMG-CYBMUJFWSA-N 1 0 385.233 2.392 20 0 GEADRO [NH3+]C1(CNC(=O)N(CCO)Cc2cc(Br)cs2)CCCC1 ZINC000659574230 652361033 /nfs/dbraw/zinc/36/10/33/652361033.db2.gz KFWQUCKEVSAYQE-UHFFFAOYSA-N 1 0 376.320 2.286 20 0 GEADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579951691 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GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630210 652362104 /nfs/dbraw/zinc/36/21/04/652362104.db2.gz GPZRJLFVXUMZNZ-SNVBAGLBSA-N 1 0 394.273 2.306 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000659647786 652362284 /nfs/dbraw/zinc/36/22/84/652362284.db2.gz OTYYAEGJVNDZFA-ZIAGYGMSSA-N 1 0 383.334 2.445 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)[C@H](C[NH3+])C1 ZINC000659684608 652363362 /nfs/dbraw/zinc/36/33/62/652363362.db2.gz JTOKIRBKWXEJEP-PWSUYJOCSA-N 1 0 380.901 2.152 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CCCC1 ZINC000659732832 652364455 /nfs/dbraw/zinc/36/44/55/652364455.db2.gz OOPUENITFITKIW-OAHLLOKOSA-N 1 0 381.929 2.344 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000659739248 652364510 /nfs/dbraw/zinc/36/45/10/652364510.db2.gz PCOQNIRTAQNXLQ-UHFFFAOYSA-N 1 0 379.345 2.352 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740400 652364549 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C[C@H](Cc1cc(Br)ccc1F)NC(=O)N(C)CCOCC[NH3+] ZINC000627004451 652411595 /nfs/dbraw/zinc/41/15/95/652411595.db2.gz KBNXPURCTGGRRI-LLVKDONJSA-N 1 0 376.270 2.136 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N(C)CCOCC[NH3+] ZINC000627004452 652411614 /nfs/dbraw/zinc/41/16/14/652411614.db2.gz KBNXPURCTGGRRI-NSHDSACASA-N 1 0 376.270 2.136 20 0 GEADRO O=C(NCc1n[nH]cc1Br)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660716727 652411704 /nfs/dbraw/zinc/41/17/04/652411704.db2.gz XWHXONIHNOSDCQ-CYBMUJFWSA-N 1 0 378.274 2.246 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000627010117 652411957 /nfs/dbraw/zinc/41/19/57/652411957.db2.gz MOMAMRPFHNMRIR-CYBMUJFWSA-N 1 0 389.327 2.450 20 0 GEADRO CCN(CC[NH3+])C(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000627012876 652412008 /nfs/dbraw/zinc/41/20/08/652412008.db2.gz IXWNLQRHJUKKCU-HNNXBMFYSA-N 1 0 397.317 2.243 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C[NH2+]1 ZINC000627021393 652412263 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C[NH+](C)CCn1ccc(C(=O)Nc2cccc(I)c2)n1 ZINC000581556552 652416247 /nfs/dbraw/zinc/41/62/47/652416247.db2.gz KTKJWCBDQYXRRV-UHFFFAOYSA-N 1 0 384.221 2.302 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)C[NH2+]1 ZINC000627195563 652418040 /nfs/dbraw/zinc/41/80/40/652418040.db2.gz MEFDOEAZCMUKRU-BXUZGUMPSA-N 1 0 388.281 2.233 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C[NH2+]1 ZINC000627202329 652418473 /nfs/dbraw/zinc/41/84/73/652418473.db2.gz HXSVBYDPXSOUQM-INWMFGNUSA-N 1 0 384.318 2.040 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C[NH2+]1 ZINC000627203582 652418628 /nfs/dbraw/zinc/41/86/28/652418628.db2.gz OCCIDVUCYFPWCR-JQWIXIFHSA-N 1 0 376.320 2.155 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)C[NH2+]1 ZINC000627208083 652418806 /nfs/dbraw/zinc/41/88/06/652418806.db2.gz SODKAPBPGSWJOT-MFKMUULPSA-N 1 0 394.273 2.439 20 0 GEADRO [NH3+]CCCOCCNC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000627217708 652418999 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GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000627365403 652424872 /nfs/dbraw/zinc/42/48/72/652424872.db2.gz NWFROMGIHWTIFG-LSDHHAIUSA-N 1 0 396.329 2.100 20 0 GEADRO O=C(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000581771763 652425623 /nfs/dbraw/zinc/42/56/23/652425623.db2.gz WSMQJSNDIQZCMB-JHNDHUHGSA-N 1 0 382.551 2.042 20 0 GEADRO COC[C@]1(CNC(=O)c2cc(C)ccc2I)CCC[NH2+]1 ZINC000581806452 652425906 /nfs/dbraw/zinc/42/59/06/652425906.db2.gz LUDPRSBXNHDMBR-OAHLLOKOSA-N 1 0 388.249 2.098 20 0 GEADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000627399727 652426368 /nfs/dbraw/zinc/42/63/68/652426368.db2.gz ANPUBWUFSKRCHR-JSGCOSHPSA-N 1 0 394.313 2.022 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C[NH2+]1 ZINC000627397239 652426412 /nfs/dbraw/zinc/42/64/12/652426412.db2.gz HWCDWDYXDWXDIL-IUODEOHRSA-N 1 0 396.329 2.100 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627412610 652427045 /nfs/dbraw/zinc/42/70/45/652427045.db2.gz PPVODGHROHEHEQ-WPGHFRTFSA-N 1 0 394.313 2.007 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000627419956 652427408 /nfs/dbraw/zinc/42/74/08/652427408.db2.gz SZDXIGXRKFWXHL-UMVBOHGHSA-N 1 0 396.329 2.268 20 0 GEADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000627462899 652429176 /nfs/dbraw/zinc/42/91/76/652429176.db2.gz HTXNRFUUIRMCNX-OAHLLOKOSA-N 1 0 388.295 2.009 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000627460472 652429205 /nfs/dbraw/zinc/42/92/05/652429205.db2.gz LGXKLSJZBTYGMN-XHSDSOJGSA-N 1 0 381.929 2.213 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000582010780 652431638 /nfs/dbraw/zinc/43/16/38/652431638.db2.gz CONSJDBXHCXRRF-ZDUSSCGKSA-N 1 0 380.842 2.188 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)co1 ZINC000661427802 652431795 /nfs/dbraw/zinc/43/17/95/652431795.db2.gz JCMANYVHIRUDGS-KRWDZBQOSA-N 1 0 384.885 2.462 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000582052545 652433421 /nfs/dbraw/zinc/43/34/21/652433421.db2.gz GYXBDKILGJYSBV-UHFFFAOYSA-N 1 0 396.329 2.103 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000582062286 652433757 /nfs/dbraw/zinc/43/37/57/652433757.db2.gz BJIWZGXYYMPKFL-KGLIPLIRSA-N 1 0 386.901 2.137 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000582062285 652433782 /nfs/dbraw/zinc/43/37/82/652433782.db2.gz BJIWZGXYYMPKFL-KBPBESRZSA-N 1 0 386.901 2.137 20 0 GEADRO O=C1[C@@H]([N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000661600860 652434570 /nfs/dbraw/zinc/43/45/70/652434570.db2.gz KHKCRVRFKQNIEV-KCXAZCMYSA-N 1 0 392.297 2.155 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2scnc2Br)ccn1 ZINC000754406130 652435113 /nfs/dbraw/zinc/43/51/13/652435113.db2.gz KGMGIKNWOBKDLF-UHFFFAOYSA-N 1 0 385.287 2.171 20 0 GEADRO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H](C)[C@H]1O ZINC000661623999 652435743 /nfs/dbraw/zinc/43/57/43/652435743.db2.gz TXSWTBYVWAMSRK-HBYGRHMLSA-N 1 0 375.332 2.418 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582122825 652436415 /nfs/dbraw/zinc/43/64/15/652436415.db2.gz FDUDHXJYSFRSNK-HSMVNMDESA-N 1 0 384.293 2.436 20 0 GEADRO C[C@H](CCNC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21)[NH+](C)C ZINC000627639362 652436606 /nfs/dbraw/zinc/43/66/06/652436606.db2.gz RFGCGJOKOAOALX-GFCCVEGCSA-N 1 0 394.313 2.284 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)C[C@H]21 ZINC000627656139 652437556 /nfs/dbraw/zinc/43/75/56/652437556.db2.gz VEYYMRWSWJUDDK-VIKVFOODSA-N 1 0 380.279 2.265 20 0 GEADRO COCC[C@]1([NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)CCOC1 ZINC000582161532 652438031 /nfs/dbraw/zinc/43/80/31/652438031.db2.gz YNDYOPDTWICMDO-KRWDZBQOSA-N 1 0 375.296 2.437 20 0 GEADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661716381 652438268 /nfs/dbraw/zinc/43/82/68/652438268.db2.gz QHQXTSJXYSDLSF-JVLSTEMRSA-N 1 0 376.678 2.299 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1I ZINC000582177560 652438708 /nfs/dbraw/zinc/43/87/08/652438708.db2.gz KYCPRAHQRRNBMR-GFCCVEGCSA-N 1 0 387.265 2.256 20 0 GEADRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)cn1 ZINC000661783166 652439979 /nfs/dbraw/zinc/43/99/79/652439979.db2.gz LCSPZRDCVTZPIR-PBHICJAKSA-N 1 0 382.917 2.222 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000582241332 652441995 /nfs/dbraw/zinc/44/19/95/652441995.db2.gz MPYVONHQGUTEKR-MNOVXSKESA-N 1 0 377.304 2.254 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cncnc1)c1ccc(Cl)c(Cl)c1 ZINC000627910495 652442425 /nfs/dbraw/zinc/44/24/25/652442425.db2.gz HZYBYOJVEZPQCX-AWEZNQCLSA-N 1 0 382.251 2.141 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000582349849 652446838 /nfs/dbraw/zinc/44/68/38/652446838.db2.gz OFGOPHCXISKMTN-OAHLLOKOSA-N 1 0 385.295 2.398 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662146515 652449240 /nfs/dbraw/zinc/44/92/40/652449240.db2.gz VSDGDBUGTBGAKZ-UHFFFAOYSA-N 1 0 398.349 2.409 20 0 GEADRO Cc1ccc(NC(=O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000662158394 652449397 /nfs/dbraw/zinc/44/93/97/652449397.db2.gz TWNJWSQESQQTSN-OAHLLOKOSA-N 1 0 396.329 2.227 20 0 GEADRO COc1cc(Br)c(Cl)cc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000582422296 652449569 /nfs/dbraw/zinc/44/95/69/652449569.db2.gz IDLGNBMRAQYEDG-UHFFFAOYSA-N 1 0 391.693 2.298 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cnn(-c2ccc(Br)cc2)c1 ZINC000582419856 652449764 /nfs/dbraw/zinc/44/97/64/652449764.db2.gz KSNHLBUFCIINHR-CYBMUJFWSA-N 1 0 385.212 2.362 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000582430769 652450057 /nfs/dbraw/zinc/45/00/57/652450057.db2.gz HQKFVQYUEOHVOG-IUODEOHRSA-N 1 0 382.302 2.102 20 0 GEADRO Cc1nn(C)c(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)c1Br ZINC000582526509 652453700 /nfs/dbraw/zinc/45/37/00/652453700.db2.gz LXLAHIKQEQDVSI-LBPRGKRZSA-N 1 0 383.265 2.064 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000582537994 652454556 /nfs/dbraw/zinc/45/45/56/652454556.db2.gz LLIXTGMJONFPCW-CYBMUJFWSA-N 1 0 377.432 2.453 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ncc(Br)cc1Cl ZINC000662272432 652455195 /nfs/dbraw/zinc/45/51/95/652455195.db2.gz MSZBPZGMQKVHMF-LBPRGKRZSA-N 1 0 389.725 2.317 20 0 GEADRO C[C@H](NC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)c1ccc(Br)cc1 ZINC000662332191 652456375 /nfs/dbraw/zinc/45/63/75/652456375.db2.gz VLQPLBTXJIPTSF-CABZTGNLSA-N 1 0 382.224 2.448 20 0 GEADRO C[N@H+](CCC(N)=O)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628275315 652456936 /nfs/dbraw/zinc/45/69/36/652456936.db2.gz IWLTXKGXODNUMI-UHFFFAOYSA-N 1 0 390.311 2.012 20 0 GEADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ncc(COC)s2)CC1 ZINC000582632527 652457196 /nfs/dbraw/zinc/45/71/96/652457196.db2.gz DZXPGOCBCWIHMG-CYBMUJFWSA-N 1 0 375.560 2.172 20 0 GEADRO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000582693344 652459222 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CC(C)[C@@](C)(CO)[NH2+]CC(=O)Nc1ccccc1I ZINC000582755256 652461739 /nfs/dbraw/zinc/46/17/39/652461739.db2.gz KGTMTKXPDIZCKF-CQSZACIVSA-N 1 0 376.238 2.226 20 0 GEADRO CN[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000662479125 652463409 /nfs/dbraw/zinc/46/34/09/652463409.db2.gz COVDIODQHAJJNQ-CXAGYDPISA-N 1 0 387.355 2.254 20 0 GEADRO O=C1[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1cccc(Br)c1 ZINC000582845982 652463788 /nfs/dbraw/zinc/46/37/88/652463788.db2.gz SEIAQJBLVAUPCV-JKIFEVAISA-N 1 0 378.314 2.486 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@@H]1CCC[NH2+]C1 ZINC000582894095 652465695 /nfs/dbraw/zinc/46/56/95/652465695.db2.gz ATBHQPAMQNZEGT-LLVKDONJSA-N 1 0 384.274 2.019 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)NCC1(OCCO)CCC(F)(F)CC1 ZINC000628662301 652466269 /nfs/dbraw/zinc/46/62/69/652466269.db2.gz PDUDYXCCJRHOOO-UHFFFAOYSA-N 1 0 376.469 2.497 20 0 GEADRO CC(C)([NH3+])c1cc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)on1 ZINC000662534177 652466459 /nfs/dbraw/zinc/46/64/59/652466459.db2.gz JKOIVRLAKSWSNP-SECBINFHSA-N 1 0 388.251 2.345 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2=O)ccc1Br ZINC000662537819 652466518 /nfs/dbraw/zinc/46/65/18/652466518.db2.gz PXRWGHSHHVVZRD-VHDGCEQUSA-N 1 0 380.286 2.106 20 0 GEADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000662556156 652468095 /nfs/dbraw/zinc/46/80/95/652468095.db2.gz MMIOLTAKSWGIQG-ZYHUDNBSSA-N 1 0 379.201 2.031 20 0 GEADRO COc1ccc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c(Br)c1 ZINC000582958929 652468447 /nfs/dbraw/zinc/46/84/47/652468447.db2.gz HSGXWKQYGRTVPA-UHFFFAOYSA-N 1 0 396.329 2.404 20 0 GEADRO [NH3+]CC1(O)CCN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC000662577947 652468556 /nfs/dbraw/zinc/46/85/56/652468556.db2.gz IIQULMNVWBIKEM-UHFFFAOYSA-N 1 0 380.242 2.030 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000582973700 652469190 /nfs/dbraw/zinc/46/91/90/652469190.db2.gz HHUJOECTJQIZQF-MNOVXSKESA-N 1 0 387.265 2.498 20 0 GEADRO [NH3+]C1(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCCC1 ZINC000662653510 652469988 /nfs/dbraw/zinc/46/99/88/652469988.db2.gz VKDTUOSWCXMXGO-AWEZNQCLSA-N 1 0 380.286 2.190 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000628755803 652469998 /nfs/dbraw/zinc/46/99/98/652469998.db2.gz XZDJJNBDVPYKIA-SNVBAGLBSA-N 1 0 381.274 2.493 20 0 GEADRO [NH3+]C1(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CCCC1 ZINC000662648830 652470059 /nfs/dbraw/zinc/47/00/59/652470059.db2.gz OSQGPUQZFLVKNW-GFCCVEGCSA-N 1 0 380.286 2.190 20 0 GEADRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1c[nH]c(=O)c(Br)c1 ZINC000662686245 652470828 /nfs/dbraw/zinc/47/08/28/652470828.db2.gz LBUJZWMFOUYTKL-CQSZACIVSA-N 1 0 378.226 2.463 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000662715974 652471183 /nfs/dbraw/zinc/47/11/83/652471183.db2.gz XMAYGAXLWZBVSE-CRPOECCBSA-N 1 0 378.314 2.454 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000662727121 652471630 /nfs/dbraw/zinc/47/16/30/652471630.db2.gz RDWJMGFKFZPZIB-NXEZZACHSA-N 1 0 376.320 2.119 20 0 GEADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662728762 652471879 /nfs/dbraw/zinc/47/18/79/652471879.db2.gz XAFOSTVCVQUYCV-WMLDXEAASA-N 1 0 386.323 2.438 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748345 652472850 /nfs/dbraw/zinc/47/28/50/652472850.db2.gz QLTJHTCEPIRYRI-HUUCEWRRSA-N 1 0 381.249 2.455 20 0 GEADRO O=c1c(Br)nn(CN2CC[C@H]([NH+]3CCCC3)C2)c2ccccc12 ZINC000755734230 652474315 /nfs/dbraw/zinc/47/43/15/652474315.db2.gz SJYRSFMEISUSQI-ZDUSSCGKSA-N 1 0 377.286 2.287 20 0 GEADRO C[C@H]1[C@@H](NC(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000583163874 652474750 /nfs/dbraw/zinc/47/47/50/652474750.db2.gz NRXIWGLZWIEFLQ-BBRMVZONSA-N 1 0 377.286 2.425 20 0 GEADRO COC1CC[NH+](C2(CNC(=O)c3c(Br)cnn3C)CCCC2)CC1 ZINC000583184600 652475757 /nfs/dbraw/zinc/47/57/57/652475757.db2.gz MPLSVQVREUVPQP-UHFFFAOYSA-N 1 0 399.333 2.336 20 0 GEADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000662859647 652476566 /nfs/dbraw/zinc/47/65/66/652476566.db2.gz QXWNVPNUBVSCNZ-WQVCFCJDSA-N 1 0 384.318 2.017 20 0 GEADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862168 652476637 /nfs/dbraw/zinc/47/66/37/652476637.db2.gz FWUCTEHJSDEPKL-BDJLRTHQSA-N 1 0 378.270 2.179 20 0 GEADRO CCC[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)S(N)(=O)=O ZINC000628969650 652476730 /nfs/dbraw/zinc/47/67/30/652476730.db2.gz XCYIWAIYKJCKQP-KGLIPLIRSA-N 1 0 396.340 2.170 20 0 GEADRO Cc1cc(Br)c(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)s1 ZINC000662876171 652477362 /nfs/dbraw/zinc/47/73/62/652477362.db2.gz VFULDLCDAIVWPR-UHFFFAOYSA-N 1 0 383.315 2.411 20 0 GEADRO C[C@H]1CSCCN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000583226942 652478104 /nfs/dbraw/zinc/47/81/04/652478104.db2.gz NRMVTKOBEPVMAI-CJNGLKHVSA-N 1 0 383.945 2.270 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000662925293 652478676 /nfs/dbraw/zinc/47/86/76/652478676.db2.gz LWUMJJINCZFWOI-LLVKDONJSA-N 1 0 395.294 2.095 20 0 GEADRO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000662968776 652479599 /nfs/dbraw/zinc/47/95/99/652479599.db2.gz HYSJWJNNSPRJEU-DOMZBBRYSA-N 1 0 382.291 2.089 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC1 ZINC000662968286 652479739 /nfs/dbraw/zinc/47/97/39/652479739.db2.gz AXXAAMBVROFYEE-UHFFFAOYSA-N 1 0 384.307 2.336 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H](N)c2ccccc2Br)CCO1 ZINC000662973222 652480068 /nfs/dbraw/zinc/48/00/68/652480068.db2.gz QIJPYGUJFSPILG-XJKSGUPXSA-N 1 0 384.318 2.018 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)C2 ZINC000662992348 652480590 /nfs/dbraw/zinc/48/05/90/652480590.db2.gz GCUUODRFYDBGTG-QWHCGFSZSA-N 1 0 394.313 2.186 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CCCO1 ZINC000583310114 652480724 /nfs/dbraw/zinc/48/07/24/652480724.db2.gz NOPCNTKEPPOERB-SECBINFHSA-N 1 0 385.852 2.579 20 0 GEADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663007689 652481208 /nfs/dbraw/zinc/48/12/08/652481208.db2.gz IUBFEFAQFXLUIH-GFCCVEGCSA-N 1 0 379.766 2.435 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)sc1C(F)(F)F ZINC000583369775 652482019 /nfs/dbraw/zinc/48/20/19/652482019.db2.gz LSBNXNJTEIXDFH-SECBINFHSA-N 1 0 378.420 2.303 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000583382735 652482722 /nfs/dbraw/zinc/48/27/22/652482722.db2.gz KWKRYXLEHFDUDB-GUYCJALGSA-N 1 0 380.330 2.231 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000583504263 652487704 /nfs/dbraw/zinc/48/77/04/652487704.db2.gz LOOFFPFCRGXPQQ-LBPRGKRZSA-N 1 0 379.345 2.295 20 0 GEADRO CN(CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1)S(=O)(=O)c1cccs1 ZINC000583559539 652489664 /nfs/dbraw/zinc/48/96/64/652489664.db2.gz AFSDOKJWOJSQRX-OAHLLOKOSA-N 1 0 388.942 2.215 20 0 GEADRO [NH3+]C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CCC1 ZINC000583628934 652492016 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386.334 2.382 20 0 GEADRO O=C(CCOc1ccccc1Br)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000592408249 652594046 /nfs/dbraw/zinc/59/40/46/652594046.db2.gz DSDNRCUVGZKGBT-JKSUJKDBSA-N 1 0 397.313 2.276 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760165236 652596746 /nfs/dbraw/zinc/59/67/46/652596746.db2.gz AZSVTSUDQWRWTH-SECBINFHSA-N 1 0 393.296 2.334 20 0 GEADRO CC(C)[C@H]1CN(CC(=O)Nc2ccc(I)cc2)CC[NH2+]1 ZINC000592485726 652597417 /nfs/dbraw/zinc/59/74/17/652597417.db2.gz WDUJGAUFWNUXDG-CQSZACIVSA-N 1 0 387.265 2.160 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667262553 652599064 /nfs/dbraw/zinc/59/90/64/652599064.db2.gz HIGWWQHYWLYPLX-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000592531290 652599231 /nfs/dbraw/zinc/59/92/31/652599231.db2.gz JRMCQVDHBNBTDY-UKRRQHHQSA-N 1 0 382.254 2.081 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc2cc(Br)ccc2o1 ZINC000592550074 652599534 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GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667291000 652600250 /nfs/dbraw/zinc/60/02/50/652600250.db2.gz RAOAUWIQQMYQSN-SSDOTTSWSA-N 1 0 378.629 2.048 20 0 GEADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCNc3cccc(Br)c3)c21 ZINC000592564048 652600674 /nfs/dbraw/zinc/60/06/74/652600674.db2.gz BVTIOHOPTHHWDS-LBPRGKRZSA-N 1 0 392.301 2.324 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667312768 652601076 /nfs/dbraw/zinc/60/10/76/652601076.db2.gz UAKFNKBQEJZYRI-LLVKDONJSA-N 1 0 375.416 2.347 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000667350768 652601819 /nfs/dbraw/zinc/60/18/19/652601819.db2.gz SBZASHICBPJNDK-VIKVFOODSA-N 1 0 380.286 2.032 20 0 GEADRO CC1([NH3+])CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000667374741 652602612 /nfs/dbraw/zinc/60/26/12/652602612.db2.gz FWHPWUAMCWKOPC-UHFFFAOYSA-N 1 0 379.262 2.375 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000667374816 652602959 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SFHRCXYIVIIHNL-LBPRGKRZSA-N 1 0 379.302 2.214 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1Cl ZINC000594458361 652654730 /nfs/dbraw/zinc/65/47/30/652654730.db2.gz WMMBRMAPWNUSQI-MRXNPFEDSA-N 1 0 385.961 2.437 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634712190 652656654 /nfs/dbraw/zinc/65/66/54/652656654.db2.gz AJDRMNBFEFHQOK-JSGCOSHPSA-N 1 0 388.302 2.401 20 0 GEADRO O=C(CC[NH2+]C[C@H](O)CC1(O)CCOCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000634715256 652658218 /nfs/dbraw/zinc/65/82/18/652658218.db2.gz ZVBRBFPSIKZQLB-OAHLLOKOSA-N 1 0 391.295 2.204 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1)C1CC1 ZINC000634720211 652658715 /nfs/dbraw/zinc/65/87/15/652658715.db2.gz GXPZLDRQNDKEHJ-QGTPRVQTSA-N 1 0 386.330 2.102 20 0 GEADRO OCC[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000634721911 652658827 /nfs/dbraw/zinc/65/88/27/652658827.db2.gz HBPRUTUUAGQJNA-CVEARBPZSA-N 1 0 378.296 2.299 20 0 GEADRO 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CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597082124 652773905 /nfs/dbraw/zinc/77/39/05/652773905.db2.gz BAGVMRFLMKATCU-UHFFFAOYSA-N 1 0 388.917 2.278 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](C(=O)OC)C1 ZINC000597220647 652776256 /nfs/dbraw/zinc/77/62/56/652776256.db2.gz FFQHJWCMFXSXBQ-COPLHBTASA-N 1 0 399.285 2.004 20 0 GEADRO COc1cc(C[NH2+]C2([C@H](C)O)CC2)cc(I)c1OC ZINC000597234025 652776989 /nfs/dbraw/zinc/77/69/89/652776989.db2.gz GKIOCDAKJNZTCF-VIFPVBQESA-N 1 0 377.222 2.311 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104405 652778475 /nfs/dbraw/zinc/77/84/75/652778475.db2.gz IVJNSSCJPCNDNO-HUUCEWRRSA-N 1 0 394.313 2.151 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671107547 652778543 /nfs/dbraw/zinc/77/85/43/652778543.db2.gz QDSDIOLLQGAIIP-HOTGVXAUSA-N 1 0 384.307 2.395 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671107548 652778821 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COc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1I ZINC000597992863 652795063 /nfs/dbraw/zinc/79/50/63/652795063.db2.gz OJNMESGGGIDYGG-SNVBAGLBSA-N 1 0 376.238 2.370 20 0 GEADRO O=C(CC[N@@H+]1CCN2C(=O)OCC[C@H]2C1)Nc1cccc(Br)c1 ZINC000764425209 652799349 /nfs/dbraw/zinc/79/93/49/652799349.db2.gz NVZYXOGXRLCKII-AWEZNQCLSA-N 1 0 382.258 2.304 20 0 GEADRO NS(=O)(=O)c1cc(NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cs1 ZINC000636400231 652801810 /nfs/dbraw/zinc/80/18/10/652801810.db2.gz JXDZFRDJQXIAII-HNNXBMFYSA-N 1 0 379.507 2.214 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000636509441 652806257 /nfs/dbraw/zinc/80/62/57/652806257.db2.gz XPEFUMALDOCOCH-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C(=O)N(C)C ZINC000636582517 652809324 /nfs/dbraw/zinc/80/93/24/652809324.db2.gz GGUHPMPLKUOSHO-YGRLFVJLSA-N 1 0 375.300 2.372 20 0 GEADRO C[C@@](CO)([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000671708263 652810583 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C[C@H](c1ccsc1)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000765080049 652822377 /nfs/dbraw/zinc/82/23/77/652822377.db2.gz QDPDXHXNKNJPLJ-OAHLLOKOSA-N 1 0 379.551 2.317 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1sccc1Br ZINC000671959116 652822596 /nfs/dbraw/zinc/82/25/96/652822596.db2.gz LTTNKSINTYFXLE-LLVKDONJSA-N 1 0 388.331 2.117 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(Cc3cc(OC)ncc3Br)C2)CC1 ZINC000598589167 652823299 /nfs/dbraw/zinc/82/32/99/652823299.db2.gz RKNPJBFNXOCTHQ-HNNXBMFYSA-N 1 0 383.334 2.065 20 0 GEADRO CC(C)(C)Oc1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ncc1Br ZINC000672207529 652830477 /nfs/dbraw/zinc/83/04/77/652830477.db2.gz RFYGALKBQDPAPW-KBPBESRZSA-N 1 0 399.333 2.452 20 0 GEADRO Cc1ccc(CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000636959620 652831498 /nfs/dbraw/zinc/83/14/98/652831498.db2.gz RHFYLGMSSCVRIA-AWEZNQCLSA-N 1 0 396.329 2.222 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1Cc2ccc(Br)cc2C1 ZINC000765254038 652833724 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C[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000637673668 652870330 /nfs/dbraw/zinc/87/03/30/652870330.db2.gz GFWXLOYZYPDPCX-VHSXEESVSA-N 1 0 386.283 2.297 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1 ZINC000599464754 652874227 /nfs/dbraw/zinc/87/42/27/652874227.db2.gz SASKZQUFTZNTQK-AWEZNQCLSA-N 1 0 386.901 2.422 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000637864187 652876188 /nfs/dbraw/zinc/87/61/88/652876188.db2.gz OMSKEXXGLRIWJI-UHFFFAOYSA-N 1 0 381.274 2.295 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2scc(Br)c2Br)CCO1 ZINC000637867021 652876225 /nfs/dbraw/zinc/87/62/25/652876225.db2.gz QXTIKRVYJQHMCM-HTRCEHHLSA-N 1 0 398.120 2.461 20 0 GEADRO CC[NH+]1CCC(N(C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000637887703 652876613 /nfs/dbraw/zinc/87/66/13/652876613.db2.gz XTYDPTZVUVPABB-UHFFFAOYSA-N 1 0 390.347 2.013 20 0 GEADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000637935931 652878204 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C[C@]1(C(=O)Nc2nccn2Cc2ccc(Br)cc2)C[NH2+]CCO1 ZINC000638040735 652882152 /nfs/dbraw/zinc/88/21/52/652882152.db2.gz GEPOFERWLRCCOE-MRXNPFEDSA-N 1 0 379.258 2.011 20 0 GEADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599669294 652882897 /nfs/dbraw/zinc/88/28/97/652882897.db2.gz ZNWJNWITCCSANT-AWEZNQCLSA-N 1 0 377.268 2.028 20 0 GEADRO O=C(C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)Nc1cccc(I)c1 ZINC000599682270 652883294 /nfs/dbraw/zinc/88/32/94/652883294.db2.gz YUJYIAQRBFQICG-PSOPSSQASA-N 1 0 386.233 2.075 20 0 GEADRO CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000638073212 652883719 /nfs/dbraw/zinc/88/37/19/652883719.db2.gz MHDPKGDXZWPYDU-NWDGAFQWSA-N 1 0 383.290 2.019 20 0 GEADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000638291985 652885305 /nfs/dbraw/zinc/88/53/05/652885305.db2.gz DCYGRKRJHFPLBS-MLGOLLRUSA-N 1 0 379.258 2.340 20 0 GEADRO [NH3+]CC1(O)CCN(C(=O)c2scc(Br)c2Br)CC1 ZINC000638354981 652887022 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C[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)c1cc(F)c(Br)cc1F ZINC000638494209 652891350 /nfs/dbraw/zinc/89/13/50/652891350.db2.gz BTAUORDTRUVONI-MRVPVSSYSA-N 1 0 388.216 2.159 20 0 GEADRO C[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)C(=O)N1CCCC[C@H]1C ZINC000638490216 652891369 /nfs/dbraw/zinc/89/13/69/652891369.db2.gz VLQJZFQUJMXKIF-NEPJUHHUSA-N 1 0 380.290 2.371 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000638505793 652891971 /nfs/dbraw/zinc/89/19/71/652891971.db2.gz XGQZKCTTZODCNJ-WFASDCNBSA-N 1 0 392.297 2.203 20 0 GEADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000638530534 652892366 /nfs/dbraw/zinc/89/23/66/652892366.db2.gz NEDAUOFNXUQSNT-UHFFFAOYSA-N 1 0 384.354 2.044 20 0 GEADRO O=C(COc1ccc(Br)cn1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000638529279 652892413 /nfs/dbraw/zinc/89/24/13/652892413.db2.gz NTUKEBILRWCTLZ-LSDHHAIUSA-N 1 0 376.254 2.095 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000599925244 652892867 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C[NH2+]CCOCCNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000638577574 652895928 /nfs/dbraw/zinc/89/59/28/652895928.db2.gz RMZNZRAAZAVZQY-UHFFFAOYSA-N 1 0 385.180 2.314 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000638591132 652896277 /nfs/dbraw/zinc/89/62/77/652896277.db2.gz AQNSGBGPOVCFIY-LBPRGKRZSA-N 1 0 375.282 2.461 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)c1cccnc1Oc1ccc(Br)cc1 ZINC000638618503 652899316 /nfs/dbraw/zinc/89/93/16/652899316.db2.gz NDPPBIKDHKZURG-ZDUSSCGKSA-N 1 0 392.253 2.355 20 0 GEADRO [NH3+]CC1(NC(=O)c2cc(Br)cc(N3CCCC3)c2)CCOCC1 ZINC000638632597 652899752 /nfs/dbraw/zinc/89/97/52/652899752.db2.gz QTGVBAPUWCOBDA-UHFFFAOYSA-N 1 0 382.302 2.287 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000600043554 652900435 /nfs/dbraw/zinc/90/04/35/652900435.db2.gz HMVSNRQTOHHVAM-CJNGLKHVSA-N 1 0 396.329 2.271 20 0 GEADRO Cc1c(C(=O)NC2(C[NH3+])CCOCC2)cnn1-c1ccc(Br)cc1 ZINC000638637971 652900475 /nfs/dbraw/zinc/90/04/75/652900475.db2.gz WRWWGURSBYUMMG-UHFFFAOYSA-N 1 0 393.285 2.181 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C[NH2+]1 ZINC000638648231 652901104 /nfs/dbraw/zinc/90/11/04/652901104.db2.gz LQPBHRXKKVRIQR-FZMZJTMJSA-N 1 0 383.290 2.217 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCCOCCC[NH3+] ZINC000638662359 652901354 /nfs/dbraw/zinc/90/13/54/652901354.db2.gz UUNUMGBCKSNPND-UHFFFAOYSA-N 1 0 395.301 2.347 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638654477 652901471 /nfs/dbraw/zinc/90/14/71/652901471.db2.gz LCXKRGMIVVEGIF-IOASZLSFSA-N 1 0 396.329 2.460 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638654479 652901583 /nfs/dbraw/zinc/90/15/83/652901583.db2.gz LCXKRGMIVVEGIF-XJKCOSOUSA-N 1 0 396.329 2.460 20 0 GEADRO CC1(C)CN(C(=O)c2cn(CCC[NH3+])nn2)c2ccc(Br)cc21 ZINC000638689481 652902553 /nfs/dbraw/zinc/90/25/53/652902553.db2.gz MOSWEYZCHSGTDA-UHFFFAOYSA-N 1 0 378.274 2.327 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000638697551 652903308 /nfs/dbraw/zinc/90/33/08/652903308.db2.gz CHIXZMUBLCJTKB-IFIJOSMWSA-N 1 0 396.329 2.253 20 0 GEADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000638699187 652903352 /nfs/dbraw/zinc/90/33/52/652903352.db2.gz MALXGKZNAULRAB-JSGCOSHPSA-N 1 0 392.301 2.408 20 0 GEADRO COC(=O)[C@]1(OC)CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000600189097 652907033 /nfs/dbraw/zinc/90/70/33/652907033.db2.gz BVUJITLGJIMUDG-KRWDZBQOSA-N 1 0 382.254 2.489 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000638802676 652906935 /nfs/dbraw/zinc/90/69/35/652906935.db2.gz VYFCDHGCYVUUNQ-CYBMUJFWSA-N 1 0 383.876 2.495 20 0 GEADRO [NH3+][C@H]1CCCCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000638822608 652907616 /nfs/dbraw/zinc/90/76/16/652907616.db2.gz FWYUXMBRNXSDIM-HNNXBMFYSA-N 1 0 382.302 2.299 20 0 GEADRO CN1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000638835908 652908841 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394.313 2.497 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[C@H]([NH3+])CC1)c1ccc(Br)cc1 ZINC000639023520 652916246 /nfs/dbraw/zinc/91/62/46/652916246.db2.gz JXDZJPOLHAYFJP-BZUAXINKSA-N 1 0 382.302 2.403 20 0 GEADRO Cc1ccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1Br ZINC000639037108 652917025 /nfs/dbraw/zinc/91/70/25/652917025.db2.gz ZOFIBLUJHZATBG-UHFFFAOYSA-N 1 0 378.274 2.204 20 0 GEADRO CC[NH+]1CCN(c2cccc(NCc3ccc(S(N)(=O)=O)s3)c2)CC1 ZINC000639056965 652918211 /nfs/dbraw/zinc/91/82/11/652918211.db2.gz JWSWXUNYIWKJFA-UHFFFAOYSA-N 1 0 380.539 2.150 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)[C@]12CCCO2 ZINC000639063141 652918233 /nfs/dbraw/zinc/91/82/33/652918233.db2.gz ZKSGAAHPWVWPIP-IIAWOOMASA-N 1 0 381.274 2.308 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)s1 ZINC000675151099 652918455 /nfs/dbraw/zinc/91/84/55/652918455.db2.gz YNFIULQRPWFWAB-NWDGAFQWSA-N 1 0 375.560 2.200 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000639071115 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C[NH+](C)CCN(Cc1cnn2cc(Br)cnc12)C[C@@H]1CCCO1 ZINC000639171242 652924749 /nfs/dbraw/zinc/92/47/49/652924749.db2.gz VBHZQWNVKBZKAC-HNNXBMFYSA-N 1 0 382.306 2.034 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(F)cc1F ZINC000639171479 652925339 /nfs/dbraw/zinc/92/53/39/652925339.db2.gz VHZYYZJUSWWBQG-UHFFFAOYSA-N 1 0 389.493 2.238 20 0 GEADRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639250128 652927941 /nfs/dbraw/zinc/92/79/41/652927941.db2.gz UGWKSQAXKHXMAC-CYBMUJFWSA-N 1 0 390.347 2.013 20 0 GEADRO CN1CC[C@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000639278197 652929914 /nfs/dbraw/zinc/92/99/14/652929914.db2.gz ANIICTUCAPMOQT-HRCADAONSA-N 1 0 394.313 2.321 20 0 GEADRO NS(=O)(=O)c1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)s1 ZINC000639278209 652929944 /nfs/dbraw/zinc/92/99/44/652929944.db2.gz AVAYBSJZNQKPCB-DOTOQJQBSA-N 1 0 377.535 2.102 20 0 GEADRO Brc1cnc2c(C[N@H+](CCN3CCOCC3)CC3CC3)cnn2c1 ZINC000639329534 652932349 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Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760273 652951952 /nfs/dbraw/zinc/95/19/52/652951952.db2.gz DLPKNPWGVHCFKF-QGZVFWFLSA-N 1 0 384.318 2.085 20 0 GEADRO Cc1ccc(NC(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000639760529 652952037 /nfs/dbraw/zinc/95/20/37/652952037.db2.gz FWSXGTWXOCULEQ-KRWDZBQOSA-N 1 0 384.318 2.085 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000639764476 652952061 /nfs/dbraw/zinc/95/20/61/652952061.db2.gz ZZYPFTLFCZCVOE-KRWDZBQOSA-N 1 0 380.539 2.199 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000639765066 652952608 /nfs/dbraw/zinc/95/26/08/652952608.db2.gz IFLBQTVBWVGDLF-DYVFJYSZSA-N 1 0 377.312 2.122 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000639765070 652952654 /nfs/dbraw/zinc/95/26/54/652952654.db2.gz IFLBQTVBWVGDLF-SUMWQHHRSA-N 1 0 377.312 2.122 20 0 GEADRO O[C@@H](COCc1ccco1)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639773448 652953967 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380.432 2.000 20 0 GEADRO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639918556 653088849 /nfs/dbraw/zinc/08/88/49/653088849.db2.gz MQINHYGAIPXNAV-IUODEOHRSA-N 1 0 396.336 2.490 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(Br)c3nccn3c2)C[C@@H]1[NH+](C)C ZINC000601379937 653089809 /nfs/dbraw/zinc/08/98/09/653089809.db2.gz PSHHXLUSGPCSBA-QWHCGFSZSA-N 1 0 383.315 2.214 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cnn(C3CCCC3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000601397647 653091131 /nfs/dbraw/zinc/09/11/31/653091131.db2.gz QSGBTEHSNHBXCV-IRXDYDNUSA-N 1 0 384.571 2.199 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N1CCc2sc(Br)cc2C1 ZINC000676420786 653095288 /nfs/dbraw/zinc/09/52/88/653095288.db2.gz ZESXEANKLLISCV-UHFFFAOYSA-N 1 0 376.320 2.157 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000767927415 653095877 /nfs/dbraw/zinc/09/58/77/653095877.db2.gz KQZIDCDJHXCPOA-ZIAGYGMSSA-N 1 0 387.933 2.396 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)Nc2c(Br)c(C)nn2C)CC1 ZINC000640163604 653098385 /nfs/dbraw/zinc/09/83/85/653098385.db2.gz PDEKKKKMUCTDDL-UHFFFAOYSA-N 1 0 388.310 2.113 20 0 GEADRO Cc1nn(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)c1Br ZINC000640164473 653099055 /nfs/dbraw/zinc/09/90/55/653099055.db2.gz RBLMIAUJYKXPMP-UHFFFAOYSA-N 1 0 395.305 2.482 20 0 GEADRO Cc1nn(C)c(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1Br ZINC000640166160 653100223 /nfs/dbraw/zinc/10/02/23/653100223.db2.gz YLNRKEWTKJUVSQ-CYBMUJFWSA-N 1 0 376.324 2.050 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cscc1Br ZINC000640187125 653103918 /nfs/dbraw/zinc/10/39/18/653103918.db2.gz XWAQFVFDZSITLR-VIFPVBQESA-N 1 0 375.292 2.094 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000768177464 653104006 /nfs/dbraw/zinc/10/40/06/653104006.db2.gz TWWZAFZZLJGUTO-BDAKNGLRSA-N 1 0 389.681 2.035 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768244540 653107347 /nfs/dbraw/zinc/10/73/47/653107347.db2.gz QNBAYTRMPYTLRU-LSDHHAIUSA-N 1 0 388.965 2.121 20 0 GEADRO O=C(Cc1ccc(I)cc1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601551367 653110774 /nfs/dbraw/zinc/11/07/74/653110774.db2.gz HCZYEOPYLCJPBX-UKRRQHHQSA-N 1 0 384.261 2.434 20 0 GEADRO Cn1cc(Br)c(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000640308319 653113398 /nfs/dbraw/zinc/11/33/98/653113398.db2.gz GZAXTELCIITOTK-UHFFFAOYSA-N 1 0 384.322 2.959 20 0 GEADRO COc1cccc([C@@H](CNC(=O)Nc2nn(C)cc2Br)[NH+](C)C)c1 ZINC000640309053 653114183 /nfs/dbraw/zinc/11/41/83/653114183.db2.gz WKWAOONSAWPYLT-CQSZACIVSA-N 1 0 396.289 2.616 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)Nc1nn(C)cc1Br)c1ccco1 ZINC000640309884 653114814 /nfs/dbraw/zinc/11/48/14/653114814.db2.gz RFMKSHBEHQINKP-GFCCVEGCSA-N 1 0 384.278 2.980 20 0 GEADRO Cn1cc(Br)c(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000640309900 653114909 /nfs/dbraw/zinc/11/49/09/653114909.db2.gz LOGWOMZNTUHKJP-CQSZACIVSA-N 1 0 392.301 2.921 20 0 GEADRO Cn1cc(Br)c(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000640315320 653118738 /nfs/dbraw/zinc/11/87/38/653118738.db2.gz ODTMSRCWICYHCO-ZDUSSCGKSA-N 1 0 384.253 2.746 20 0 GEADRO C[N@@H+]1CC[C@H](c2nc(-c3ccc4ncc(I)n4c3)no2)C1 ZINC000771634442 653122262 /nfs/dbraw/zinc/12/22/62/653122262.db2.gz LJNBAJKJBRKGAF-JTQLQIEISA-N 1 0 395.204 2.408 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640384111 653123817 /nfs/dbraw/zinc/12/38/17/653123817.db2.gz ZUCNGZFZTPSXFX-SSDOTTSWSA-N 1 0 375.367 3.044 20 0 GEADRO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)[C@@H](CO)c1cccc(Br)c1 ZINC000678048102 653124933 /nfs/dbraw/zinc/12/49/33/653124933.db2.gz SHUPWVXEOXYVQO-WFASDCNBSA-N 1 0 376.316 2.239 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](CCO)C1CC1 ZINC000771796862 653127061 /nfs/dbraw/zinc/12/70/61/653127061.db2.gz SQKXMYCFGAZCNF-CQSZACIVSA-N 1 0 388.249 2.289 20 0 GEADRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)C(=O)Nc1ccc(I)cc1 ZINC000771798343 653127197 /nfs/dbraw/zinc/12/71/97/653127197.db2.gz GFGCQSWFIAZHEC-YGRLFVJLSA-N 1 0 388.249 2.369 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)s1 ZINC000678154721 653128776 /nfs/dbraw/zinc/12/87/76/653128776.db2.gz ULUDTAGQOZNMLY-ZDUSSCGKSA-N 1 0 385.555 2.194 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)s1 ZINC000678154718 653129143 /nfs/dbraw/zinc/12/91/43/653129143.db2.gz ULUDTAGQOZNMLY-CYBMUJFWSA-N 1 0 385.555 2.194 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(S(C)(=O)=O)cn1 ZINC000640526842 653129489 /nfs/dbraw/zinc/12/94/89/653129489.db2.gz YOSAOOBSFZDREM-UHFFFAOYSA-N 1 0 382.511 2.142 20 0 GEADRO CCC1(O)CCC([NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000771875081 653130415 /nfs/dbraw/zinc/13/04/15/653130415.db2.gz NSILARYOZSSUHB-UUCFBXCCSA-N 1 0 389.949 2.378 20 0 GEADRO CCC1(O)CCC([NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000771875087 653130552 /nfs/dbraw/zinc/13/05/52/653130552.db2.gz NSILARYOZSSUHB-XOYHFGRZSA-N 1 0 389.949 2.378 20 0 GEADRO C[NH+](C)Cc1ccnc(NC(=O)NCc2cc(Br)cnc2N)c1 ZINC000640571959 653131676 /nfs/dbraw/zinc/13/16/76/653131676.db2.gz IDWUXEOFIFGTSB-UHFFFAOYSA-N 1 0 379.262 2.205 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000602019944 653138400 /nfs/dbraw/zinc/13/84/00/653138400.db2.gz OOMXNLAVMLRNEV-UHFFFAOYSA-N 1 0 390.267 2.175 20 0 GEADRO COCC[NH2+]CCc1cn([C@H](C)C(=O)Nc2ccc(Br)cc2)nn1 ZINC000640801820 653139803 /nfs/dbraw/zinc/13/98/03/653139803.db2.gz XQNJDLVROGYHHA-GFCCVEGCSA-N 1 0 396.289 2.019 20 0 GEADRO COCC[C@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2ccc(Br)cc2)nn1 ZINC000640801290 653139970 /nfs/dbraw/zinc/13/99/70/653139970.db2.gz PLQDIENATVBSPG-YPMHNXCESA-N 1 0 396.289 2.147 20 0 GEADRO C[C@@H](NC(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)c1ccc(Br)cc1 ZINC000640846549 653141569 /nfs/dbraw/zinc/14/15/69/653141569.db2.gz AUDVXSXFOBPDTL-OLZOCXBDSA-N 1 0 392.301 2.070 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000679314481 653143602 /nfs/dbraw/zinc/14/36/02/653143602.db2.gz CIKSFIUPBDRPBS-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)n2cc(COCC[NH3+])nn2)c(Br)c1 ZINC000640888394 653144137 /nfs/dbraw/zinc/14/41/37/653144137.db2.gz RIFOQJQOTGVVNC-NSHDSACASA-N 1 0 382.262 2.024 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679336320 653144337 /nfs/dbraw/zinc/14/43/37/653144337.db2.gz LHPKBUAXEDLCBM-SJLPKXTDSA-N 1 0 396.329 2.033 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000640980583 653148631 /nfs/dbraw/zinc/14/86/31/653148631.db2.gz WROPKIBDVJCUIY-UHFFFAOYSA-N 1 0 398.330 2.228 20 0 GEADRO COc1ccc(Cn2cc([C@@H]([NH3+])[C@H]3CCCO3)nn2)c(Br)c1OC ZINC000640988706 653149035 /nfs/dbraw/zinc/14/90/35/653149035.db2.gz CXTNFXPKMLMSQW-IUODEOHRSA-N 1 0 397.273 2.285 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@@H](n2ccnc2)C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000602135647 653149795 /nfs/dbraw/zinc/14/97/95/653149795.db2.gz LICNNSJJBBZEFU-MGPQQGTHSA-N 1 0 376.448 2.415 20 0 GEADRO COC[C@@H]([NH3+])Cc1cn(Cc2coc(-c3ccc(Br)cc3)n2)nn1 ZINC000641000802 653150178 /nfs/dbraw/zinc/15/01/78/653150178.db2.gz ZXUBUZZGRCATQR-ZDUSSCGKSA-N 1 0 392.257 2.260 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+](CCCCO)CC2)c(OC)c1 ZINC000769397483 653152172 /nfs/dbraw/zinc/15/21/72/653152172.db2.gz PDXWJWGRGWBWHL-UHFFFAOYSA-N 1 0 387.318 2.356 20 0 GEADRO C[NH2+][C@H](C)c1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641043658 653152555 /nfs/dbraw/zinc/15/25/55/653152555.db2.gz WHHKMCYGKWFRQT-SNVBAGLBSA-N 1 0 377.246 2.343 20 0 GEADRO Cn1ccnc1[C@](O)(CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000806134044 653153508 /nfs/dbraw/zinc/15/35/08/653153508.db2.gz UDZMSOLXUABJND-JBLDHEPKSA-N 1 0 375.313 2.260 20 0 GEADRO Brc1ccc(-c2noc(Cn3cc(C[C@@H]4CC[NH2+]C4)nn3)n2)s1 ZINC000641048614 653153610 /nfs/dbraw/zinc/15/36/10/653153610.db2.gz UUNNNRLMPLQNBA-VIFPVBQESA-N 1 0 395.286 2.352 20 0 GEADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000806182816 653154379 /nfs/dbraw/zinc/15/43/79/653154379.db2.gz DAIREWFJGMXRGK-PQEBFOHHSA-N 1 0 384.592 2.419 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cnc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000769438884 653157129 /nfs/dbraw/zinc/15/71/29/653157129.db2.gz JLATUQLHINIATL-ZFWWWQNUSA-N 1 0 382.917 2.405 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000679894723 653157712 /nfs/dbraw/zinc/15/77/12/653157712.db2.gz AHHOWGPMJPIWEG-MRXNPFEDSA-N 1 0 397.313 2.323 20 0 GEADRO Ic1ccccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000769492217 653159588 /nfs/dbraw/zinc/15/95/88/653159588.db2.gz HETMLBQEJONEHO-CQSZACIVSA-N 1 0 386.277 2.445 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2nc3ccc(Br)cc3o2)nn1)[C@H]1CCCO1 ZINC000641130487 653160422 /nfs/dbraw/zinc/16/04/22/653160422.db2.gz NLMFKSVMZITVRP-DOMZBBRYSA-N 1 0 378.230 2.409 20 0 GEADRO CN(CCC[NH3+])Cc1cn(Cc2ccc(Br)c3cccnc23)nn1 ZINC000641156869 653163688 /nfs/dbraw/zinc/16/36/88/653163688.db2.gz HSJINPAXSYCWIK-UHFFFAOYSA-N 1 0 389.301 2.418 20 0 GEADRO COCC[C@H]([NH3+])Cc1cn(Cc2c(F)ccc(Br)c2F)nn1 ZINC000641172887 653165358 /nfs/dbraw/zinc/16/53/58/653165358.db2.gz CRCHVOOQVQPWBI-VIFPVBQESA-N 1 0 375.217 2.273 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)CC(F)(F)F)nn1)c1ccc(Br)cc1 ZINC000641212559 653170076 /nfs/dbraw/zinc/17/00/76/653170076.db2.gz LVMZWKXLTRQWQH-JQWIXIFHSA-N 1 0 379.180 2.402 20 0 GEADRO [NH3+]CCCc1cn(C[C@@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000641213837 653170198 /nfs/dbraw/zinc/17/01/98/653170198.db2.gz DWAVRDJOCWJEPE-GFCCVEGCSA-N 1 0 389.681 2.025 20 0 GEADRO CC[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1F ZINC000680856921 653171650 /nfs/dbraw/zinc/17/16/50/653171650.db2.gz KDMPTOMXABUELM-OAHLLOKOSA-N 1 0 377.913 2.097 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)ncc1Br ZINC000772944497 653172695 /nfs/dbraw/zinc/17/26/95/653172695.db2.gz BPJUKSYSBPTLSI-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000602350262 653173418 /nfs/dbraw/zinc/17/34/18/653173418.db2.gz XDLNXALIEIOYGW-LSDHHAIUSA-N 1 0 383.286 2.209 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)NCCC[NH+](C)C)C2=O)ccc1Br ZINC000680942423 653174885 /nfs/dbraw/zinc/17/48/85/653174885.db2.gz NAXJPUCKJBMWLH-OAHLLOKOSA-N 1 0 397.317 2.114 20 0 GEADRO CC1(C)CN(C(=O)NCc2ccc(Br)cc2F)CC[N@@H+]1CCO ZINC000806788850 653175271 /nfs/dbraw/zinc/17/52/71/653175271.db2.gz XTJSUHJEJPVRBM-UHFFFAOYSA-N 1 0 388.281 2.186 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=S)NCc1ccc(Br)cc1 ZINC000769760993 653176079 /nfs/dbraw/zinc/17/60/79/653176079.db2.gz UGMSCYDSVNQTDN-CQSZACIVSA-N 1 0 399.402 2.439 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)NCc2ccsc2C(F)(F)F)CC[N@H+](C)C1 ZINC000602387348 653176918 /nfs/dbraw/zinc/17/69/18/653176918.db2.gz PWGSUWLUGTUDHJ-LLVKDONJSA-N 1 0 379.404 2.013 20 0 GEADRO Nc1c(Br)cc(Br)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000681111899 653177854 /nfs/dbraw/zinc/17/78/54/653177854.db2.gz OWXUPXGXSJSTJL-NXEZZACHSA-N 1 0 375.108 2.445 20 0 GEADRO C[C@H](NC(=O)CNC(=O)c1ccc(Br)s1)C1CC[NH+](C)CC1 ZINC000681120180 653178388 /nfs/dbraw/zinc/17/83/88/653178388.db2.gz BTERJSQRUGRAQE-JTQLQIEISA-N 1 0 388.331 2.087 20 0 GEADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCS(=O)(=O)CC1CC1 ZINC000773063189 653179144 /nfs/dbraw/zinc/17/91/44/653179144.db2.gz AZKWVFATIZHLEK-AWEZNQCLSA-N 1 0 386.945 2.491 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602450069 653182166 /nfs/dbraw/zinc/18/21/66/653182166.db2.gz QYASSOMCYPUUAV-JOCHJYFZSA-N 1 0 387.343 2.183 20 0 GEADRO CSCC[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000807052213 653182534 /nfs/dbraw/zinc/18/25/34/653182534.db2.gz RXNLPSJJDJHFKK-AWEZNQCLSA-N 1 0 385.961 2.488 20 0 GEADRO C[S@@](=O)C1(C(=O)NCc2cc(Cl)ccc2OC(F)F)CC[NH2+]CC1 ZINC000602465888 653183749 /nfs/dbraw/zinc/18/37/49/653183749.db2.gz RVRUHJCKKQKRPU-XMMPIXPASA-N 1 0 380.844 2.058 20 0 GEADRO C[NH+](C)CCNC(=S)NCc1ccc(Cl)cc1I ZINC000773168778 653185547 /nfs/dbraw/zinc/18/55/47/653185547.db2.gz IEKHOECVXHJHFK-UHFFFAOYSA-N 1 0 397.713 2.470 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000602494406 653186365 /nfs/dbraw/zinc/18/63/65/653186365.db2.gz UCNCWKRJEZBEEZ-RLFYNMQTSA-N 1 0 395.297 2.090 20 0 GEADRO COC1CC[NH+](C2(CNS(=O)(=O)C[C@@]3(C)CC3(F)F)CCCC2)CC1 ZINC000641320724 653186401 /nfs/dbraw/zinc/18/64/01/653186401.db2.gz HLUFAFZQJPGOAQ-OAHLLOKOSA-N 1 0 380.501 2.375 20 0 GEADRO CN(Cc1ccc(F)cc1Br)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602506672 653186576 /nfs/dbraw/zinc/18/65/76/653186576.db2.gz KOBADASTNARMFK-QFIPXVFZSA-N 1 0 391.306 2.047 20 0 GEADRO C[C@@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000602507012 653186888 /nfs/dbraw/zinc/18/68/88/653186888.db2.gz NDJQKPBPTIHJPR-UOXLDJKESA-N 1 0 376.444 2.426 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000773198008 653187435 /nfs/dbraw/zinc/18/74/35/653187435.db2.gz LKWABNPFKLYNTG-QWRGUYRKSA-N 1 0 388.331 2.229 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CC[C@H]2CCCCO2)[C@H](C)C1 ZINC000641329603 653188289 /nfs/dbraw/zinc/18/82/89/653188289.db2.gz JAUVGYLDGAXQAW-KURKYZTESA-N 1 0 376.563 2.002 20 0 GEADRO CCN(CC[NH3+])C(=O)c1cccc(Br)c1I ZINC000602535034 653188756 /nfs/dbraw/zinc/18/87/56/653188756.db2.gz LVRAXBCALSTVFD-UHFFFAOYSA-N 1 0 397.054 2.475 20 0 GEADRO [NH3+]C1(CNC(=O)CSCc2ccc(Br)cc2F)CCOCC1 ZINC000602537547 653189661 /nfs/dbraw/zinc/18/96/61/653189661.db2.gz FLLNONGQXIFNSB-UHFFFAOYSA-N 1 0 391.306 2.446 20 0 GEADRO CN(CCOCC[NH3+])C(=O)CSCc1ccc(Br)cc1F ZINC000602553265 653190651 /nfs/dbraw/zinc/19/06/51/653190651.db2.gz BXXMZGOJLCKHJY-UHFFFAOYSA-N 1 0 379.295 2.255 20 0 GEADRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000769928547 653191137 /nfs/dbraw/zinc/19/11/37/653191137.db2.gz SOIDMECIVIGOPV-IAGOWNOFSA-N 1 0 384.567 2.471 20 0 GEADRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000769928550 653191178 /nfs/dbraw/zinc/19/11/78/653191178.db2.gz SOIDMECIVIGOPV-SJORKVTESA-N 1 0 384.567 2.471 20 0 GEADRO COc1cc(CS(=O)(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)sn1 ZINC000641361209 653192378 /nfs/dbraw/zinc/19/23/78/653192378.db2.gz ZVBTUOPGSPHOEI-OAHLLOKOSA-N 1 0 381.523 2.188 20 0 GEADRO COc1cc(CS(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)sn1 ZINC000641366131 653193209 /nfs/dbraw/zinc/19/32/09/653193209.db2.gz WFVOXDBJMNOGQW-CQSZACIVSA-N 1 0 383.539 2.482 20 0 GEADRO COc1cc(CS(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)sn1 ZINC000641372096 653194466 /nfs/dbraw/zinc/19/44/66/653194466.db2.gz NQADLHWLOWEPSO-UHFFFAOYSA-N 1 0 375.560 2.329 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000807454235 653195591 /nfs/dbraw/zinc/19/55/91/653195591.db2.gz TXVHRSZGDREGQK-OCCSQVGLSA-N 1 0 395.301 2.176 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)on1 ZINC000602639556 653197266 /nfs/dbraw/zinc/19/72/66/653197266.db2.gz UHMUIMRUHNGUGF-NSHDSACASA-N 1 0 383.242 2.165 20 0 GEADRO COC(=O)c1csc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000602647248 653197658 /nfs/dbraw/zinc/19/76/58/653197658.db2.gz YFNIMBUNYLCKAL-UHFFFAOYSA-N 1 0 386.470 2.084 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)NS(=O)(=O)CCn1ccnc1 ZINC000641395860 653198704 /nfs/dbraw/zinc/19/87/04/653198704.db2.gz SZVDFVSCWYIUHR-NSHDSACASA-N 1 0 390.278 2.335 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccc(I)s2)C1 ZINC000602662908 653198847 /nfs/dbraw/zinc/19/88/47/653198847.db2.gz BZEAJOPKIWEGBL-SECBINFHSA-N 1 0 385.292 2.267 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)on1 ZINC000602679884 653200105 /nfs/dbraw/zinc/20/01/05/653200105.db2.gz BEXSYZHTRPLJRV-GFCCVEGCSA-N 1 0 397.269 2.473 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](Cc2cnn3cc(Br)cnc23)C[C@H]1C1CC1 ZINC000602706409 653201266 /nfs/dbraw/zinc/20/12/66/653201266.db2.gz PCEAYDZAQNXITG-UONOGXRCSA-N 1 0 379.258 2.123 20 0 GEADRO COC(=O)[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1Br ZINC000602709665 653201629 /nfs/dbraw/zinc/20/16/29/653201629.db2.gz OULGSHMSKHHTDK-INIZCTEOSA-N 1 0 399.329 2.488 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)N2CC[N@H+](CCO)C(C)(C)C2)ccc1Br ZINC000682033325 653204405 /nfs/dbraw/zinc/20/44/05/653204405.db2.gz PCACEHOROIVZBY-AWEZNQCLSA-N 1 0 398.345 2.473 20 0 GEADRO CC1(C)CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC[N@@H+]1CCO ZINC000682035201 653205461 /nfs/dbraw/zinc/20/54/61/653205461.db2.gz SZXGSUPJBFMVOC-UHFFFAOYSA-N 1 0 384.311 2.463 20 0 GEADRO Cn1cc(I)c(C(=O)NCC[N@H+](C)C2CCCCC2)n1 ZINC000602790189 653207128 /nfs/dbraw/zinc/20/71/28/653207128.db2.gz GUZBFUGCVZFTPU-UHFFFAOYSA-N 1 0 390.269 2.019 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nn(C)cc1I ZINC000602804977 653207701 /nfs/dbraw/zinc/20/77/01/653207701.db2.gz IUPZZMBYUWSVSQ-LLVKDONJSA-N 1 0 392.285 2.265 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1C[C@H](O)CC(F)(F)C1 ZINC000682455790 653210209 /nfs/dbraw/zinc/21/02/09/653210209.db2.gz DUPHJZRNOXGQLL-CQSZACIVSA-N 1 0 377.501 2.150 20 0 GEADRO COC(=O)C[C@@]1([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCCOC1 ZINC000770677916 653220125 /nfs/dbraw/zinc/22/01/25/653220125.db2.gz WTMHCQGXYZNAJF-INIZCTEOSA-N 1 0 386.242 2.380 20 0 GEADRO COC(=O)c1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(C)c1Br ZINC000808190356 653221561 /nfs/dbraw/zinc/22/15/61/653221561.db2.gz FQOKDFBNMUDOES-DGCLKSJQSA-N 1 0 385.306 2.257 20 0 GEADRO CS[C@@H]1CN(C(=O)Nc2c(Br)c(C)nn2C)C[C@H]1[NH+](C)C ZINC000603023093 653222239 /nfs/dbraw/zinc/22/22/39/653222239.db2.gz DHGWDNZKEQUASU-NXEZZACHSA-N 1 0 376.324 2.000 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC2CCN(CC(F)F)CC2)cc1 ZINC000641579653 653223174 /nfs/dbraw/zinc/22/31/74/653223174.db2.gz SHHBSXIOWZDWEX-UHFFFAOYSA-N 1 0 375.485 2.004 20 0 GEADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000641622844 653224338 /nfs/dbraw/zinc/22/43/38/653224338.db2.gz CHGUHDBRYKQBGL-VXGBXAGGSA-N 1 0 382.452 2.180 20 0 GEADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000641625795 653225083 /nfs/dbraw/zinc/22/50/83/653225083.db2.gz XJLFGMVRMXNNKK-VXGBXAGGSA-N 1 0 382.452 2.180 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000641648019 653227693 /nfs/dbraw/zinc/22/76/93/653227693.db2.gz VPYJNZKIEJPLDO-UHFFFAOYSA-N 1 0 380.341 2.299 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000641650820 653227777 /nfs/dbraw/zinc/22/77/77/653227777.db2.gz WKEACBBVVXDRSL-UHFFFAOYSA-N 1 0 398.331 2.438 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cnc(Br)cc2C)CC1 ZINC000774255820 653231288 /nfs/dbraw/zinc/23/12/88/653231288.db2.gz OXBHWQPZQYWPRT-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000683221039 653232075 /nfs/dbraw/zinc/23/20/75/653232075.db2.gz GHHFCNXHWWUSDC-CQSZACIVSA-N 1 0 387.933 2.416 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ccncc1N ZINC000641760885 653233174 /nfs/dbraw/zinc/23/31/74/653233174.db2.gz ZCAWFGBFEHNFHD-LBPRGKRZSA-N 1 0 380.286 2.376 20 0 GEADRO Cc1cc(Br)ccc1[C@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000641773361 653233382 /nfs/dbraw/zinc/23/33/82/653233382.db2.gz HRHSTGBTLLAPQY-LBPRGKRZSA-N 1 0 376.316 2.348 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)nc2Br)C[C@H]1C ZINC000774311651 653233810 /nfs/dbraw/zinc/23/38/10/653233810.db2.gz JIGGXOTWTKRGKX-OLZOCXBDSA-N 1 0 397.317 2.422 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000774324060 653234339 /nfs/dbraw/zinc/23/43/39/653234339.db2.gz UZVOZHBRSDTHGG-LLVKDONJSA-N 1 0 385.306 2.184 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NCCC(C)(C)[NH3+])cc1Cl ZINC000641805447 653234373 /nfs/dbraw/zinc/23/43/73/653234373.db2.gz BZNKGHJXAILDKF-UHFFFAOYSA-N 1 0 385.313 2.424 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000641822448 653234679 /nfs/dbraw/zinc/23/46/79/653234679.db2.gz PUXADXNPTOBXOX-UHFFFAOYSA-N 1 0 380.286 2.071 20 0 GEADRO [NH3+]C/C=C\CNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000641866839 653235610 /nfs/dbraw/zinc/23/56/10/653235610.db2.gz JXOXKIFHFNVASX-UDSFMNFJSA-N 1 0 396.207 2.315 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000642105589 653237917 /nfs/dbraw/zinc/23/79/17/653237917.db2.gz JGEQKZWOLKOJNG-XNRPHZJLSA-N 1 0 396.329 2.082 20 0 GEADRO COC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000774620594 653244446 /nfs/dbraw/zinc/24/44/46/653244446.db2.gz MUXRMVZCYQTKKU-CQSZACIVSA-N 1 0 375.238 2.442 20 0 GEADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000642335170 653243696 /nfs/dbraw/zinc/24/36/96/653243696.db2.gz NIEIRZVFIFSOCP-UHFFFAOYSA-N 1 0 380.341 2.299 20 0 GEADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)cc1Cl ZINC000642342365 653244989 /nfs/dbraw/zinc/24/49/89/653244989.db2.gz CINKXLFORDMUTC-CYBMUJFWSA-N 1 0 375.922 2.237 20 0 GEADRO CCCCN(CCCC)S(=O)(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000642523312 653247893 /nfs/dbraw/zinc/24/78/93/653247893.db2.gz HXNJYJXLZSPJKV-SFHVURJKSA-N 1 0 375.579 2.320 20 0 GEADRO Cc1nc(CS(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000684101409 653258040 /nfs/dbraw/zinc/25/80/40/653258040.db2.gz VCLNBOOXBMCLOD-QGZVFWFLSA-N 1 0 379.551 2.436 20 0 GEADRO Nc1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc(Br)n1 ZINC000874086483 653260125 /nfs/dbraw/zinc/26/01/25/653260125.db2.gz LXMBWWMEZKOUNT-UHFFFAOYSA-N 1 0 390.285 2.216 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)ccc1Br ZINC000874096440 653261766 /nfs/dbraw/zinc/26/17/66/653261766.db2.gz KOTHURROWAFQMD-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO C[C@@H](CNC(=O)c1c(Br)nc2n1CCOC2)[N@@H+]1CCC[C@H](C)C1 ZINC000856966923 653263599 /nfs/dbraw/zinc/26/35/99/653263599.db2.gz GYKVWOVJEVLVOB-RYUDHWBXSA-N 1 0 385.306 2.026 20 0 GEADRO COC1CC[NH+](CCNC(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000684432127 653265148 /nfs/dbraw/zinc/26/51/48/653265148.db2.gz ZGJOEXOZBXEIRG-LBPRGKRZSA-N 1 0 385.306 2.315 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000874121432 653265587 /nfs/dbraw/zinc/26/55/87/653265587.db2.gz WBBRVFXTROKAGU-UHFFFAOYSA-N 1 0 382.555 2.250 20 0 GEADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000774957348 653273503 /nfs/dbraw/zinc/27/35/03/653273503.db2.gz UTZWPOBPKSYYER-NWDGAFQWSA-N 1 0 390.336 2.311 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000774964562 653276518 /nfs/dbraw/zinc/27/65/18/653276518.db2.gz ONDIXWFGSMASCF-LSDHHAIUSA-N 1 0 386.323 2.496 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857027788 653277340 /nfs/dbraw/zinc/27/73/40/653277340.db2.gz ZDMTVVDBTNPHDO-UPJWGTAASA-N 1 0 399.333 2.272 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857034619 653278474 /nfs/dbraw/zinc/27/84/74/653278474.db2.gz LHNDDFYASGKBEI-LBPRGKRZSA-N 1 0 386.290 2.453 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1Cl ZINC000874171773 653278727 /nfs/dbraw/zinc/27/87/27/653278727.db2.gz VNGZQUGHHOQDBD-YGRLFVJLSA-N 1 0 386.279 2.493 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1Br ZINC000874173433 653279645 /nfs/dbraw/zinc/27/96/45/653279645.db2.gz GYWHKSJBYRNVRG-OCCSQVGLSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000874174702 653280138 /nfs/dbraw/zinc/28/01/38/653280138.db2.gz SJAZUMJFOIIAQQ-IUODEOHRSA-N 1 0 380.286 2.249 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000809531091 653280379 /nfs/dbraw/zinc/28/03/79/653280379.db2.gz ZVHYVVROLHHDSV-OAGGEKHMSA-N 1 0 387.615 2.063 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1Br ZINC000874176628 653280714 /nfs/dbraw/zinc/28/07/14/653280714.db2.gz VMRJZNLOVIASPF-WCQYABFASA-N 1 0 398.276 2.388 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000874174703 653280720 /nfs/dbraw/zinc/28/07/20/653280720.db2.gz SJAZUMJFOIIAQQ-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000857065156 653280896 /nfs/dbraw/zinc/28/08/96/653280896.db2.gz JMVKDRWHQJGJHX-GFCCVEGCSA-N 1 0 395.356 2.353 20 0 GEADRO Brc1c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)nc2ccccn12 ZINC000809541728 653280775 /nfs/dbraw/zinc/28/07/75/653280775.db2.gz OUTFNNYTGLHHKR-AWEZNQCLSA-N 1 0 379.302 2.393 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874177105 653281616 /nfs/dbraw/zinc/28/16/16/653281616.db2.gz YGZTZWLFARPLSN-XHDPSFHLSA-N 1 0 398.276 2.388 20 0 GEADRO CC(C)(C)OC(=O)N(CC[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1)C(C)(C)C ZINC000809573648 653282771 /nfs/dbraw/zinc/28/27/71/653282771.db2.gz TZTNOMUDVWVUNK-CQSZACIVSA-N 1 0 377.551 2.023 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000857111065 653284441 /nfs/dbraw/zinc/28/44/41/653284441.db2.gz BGSYPOLHNQTMAL-LBPRGKRZSA-N 1 0 387.297 2.153 20 0 GEADRO C[C@@H](O)c1ncc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)s1 ZINC000809660331 653289123 /nfs/dbraw/zinc/28/91/23/653289123.db2.gz NOAKXUHTXXFBAF-LLVKDONJSA-N 1 0 389.930 2.308 20 0 GEADRO Cc1c(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)sc2nc(C)nc(C)c12 ZINC000809688276 653289844 /nfs/dbraw/zinc/28/98/44/653289844.db2.gz GHZUJKZPZCFFKD-AWEZNQCLSA-N 1 0 382.555 2.472 20 0 GEADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000775150591 653291981 /nfs/dbraw/zinc/29/19/81/653291981.db2.gz JWXROFCGXXRLTD-HUUCEWRRSA-N 1 0 384.307 2.077 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000857170504 653294266 /nfs/dbraw/zinc/29/42/66/653294266.db2.gz KMVTUZNTVKFDEB-UHFFFAOYSA-N 1 0 399.333 2.370 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000775163449 653296102 /nfs/dbraw/zinc/29/61/02/653296102.db2.gz MAKWVUKJCLCHMN-LSDHHAIUSA-N 1 0 384.307 2.029 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000685103230 653296603 /nfs/dbraw/zinc/29/66/03/653296603.db2.gz XLRBWNLNDQOLDD-CQSZACIVSA-N 1 0 396.329 2.174 20 0 GEADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775164451 653296994 /nfs/dbraw/zinc/29/69/94/653296994.db2.gz OTJCJWFZKVRVHE-OAHLLOKOSA-N 1 0 384.307 2.209 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)[NH+]1CCCCCC1 ZINC000775168995 653298764 /nfs/dbraw/zinc/29/87/64/653298764.db2.gz QEXSYDRCLWMJCA-ZIAGYGMSSA-N 1 0 378.344 2.313 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c(Cl)cc1Cl ZINC000857233825 653301369 /nfs/dbraw/zinc/30/13/69/653301369.db2.gz FUPALKXTASPVIB-VFZGTOFNSA-N 1 0 393.292 2.282 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857275185 653304853 /nfs/dbraw/zinc/30/48/53/653304853.db2.gz KTKDGUXCRNVXJF-ZDUSSCGKSA-N 1 0 399.333 2.416 20 0 GEADRO COc1ccc(Br)c(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000685569184 653305521 /nfs/dbraw/zinc/30/55/21/653305521.db2.gz ABXKUPYGQKNLAX-KRWDZBQOSA-N 1 0 396.329 2.372 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000857299333 653307618 /nfs/dbraw/zinc/30/76/18/653307618.db2.gz XAUXLZUIUVIAIC-UHFFFAOYSA-N 1 0 385.306 2.122 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000685666246 653311213 /nfs/dbraw/zinc/31/12/13/653311213.db2.gz CQRWABJCKHBNOK-HUUCEWRRSA-N 1 0 391.331 2.150 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C1 ZINC000685716256 653311766 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CC[N@@H+]1CCCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000865620487 653770297 /nfs/dbraw/zinc/77/02/97/653770297.db2.gz XFIHZQGEOKTPDP-INIZCTEOSA-N 1 0 382.302 2.181 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3C(=O)Nc4c3cccc4Br)[C@@H]2C1 ZINC000820271459 653770708 /nfs/dbraw/zinc/77/07/08/653770708.db2.gz GCWWLLVRXFHTKP-ZKYQVNSYSA-N 1 0 378.270 2.037 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000842860013 653770794 /nfs/dbraw/zinc/77/07/94/653770794.db2.gz PAKBJLLRHJIVTN-SNVBAGLBSA-N 1 0 382.711 2.390 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000842869106 653771183 /nfs/dbraw/zinc/77/11/83/653771183.db2.gz FPRCIHKHVZQKKB-VIFPVBQESA-N 1 0 383.283 2.393 20 0 GEADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842876610 653771545 /nfs/dbraw/zinc/77/15/45/653771545.db2.gz VAVKGEXASBRBTQ-RYUDHWBXSA-N 1 0 388.946 2.450 20 0 GEADRO COCC[C@@H](C[NH2+]Cc1c(Br)cnn1C)NC(=O)OC(C)(C)C ZINC000865680629 653771850 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COC(=O)c1cc(S(=O)(=O)NCCCCCC[NH3+])ccc1Br ZINC000842922279 653774147 /nfs/dbraw/zinc/77/41/47/653774147.db2.gz QFSDDDSIFSJZGD-UHFFFAOYSA-N 1 0 393.303 2.033 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000820458321 653774777 /nfs/dbraw/zinc/77/47/77/653774777.db2.gz CTNNMSBKINPSPZ-QGZVFWFLSA-N 1 0 386.323 2.123 20 0 GEADRO C/C(=C\c1ccc(Br)o1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000865801817 653775447 /nfs/dbraw/zinc/77/54/47/653775447.db2.gz DCFYXGGWDJKWHP-LFGHMXSPSA-N 1 0 384.318 2.445 20 0 GEADRO COC[C@H](CN1CCO[C@H](C)C1)OC(=O)c1cc(OC)cc(Cl)c1F ZINC000842967694 653775567 /nfs/dbraw/zinc/77/55/67/653775567.db2.gz NWLNUBSJFUBXSF-YPMHNXCESA-N 1 0 375.824 2.380 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cncc(Br)c2)cc1 ZINC000865817559 653776034 /nfs/dbraw/zinc/77/60/34/653776034.db2.gz CVVAPKPYSMFEIQ-UHFFFAOYSA-N 1 0 384.299 2.085 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[C@H]2CC2(Cl)Cl)CC1=O ZINC000820577574 653777109 /nfs/dbraw/zinc/77/71/09/653777109.db2.gz HEXVJYIURUUWRL-MELADBBJSA-N 1 0 377.312 2.446 20 0 GEADRO CCN1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)[C@@H](C)C1 ZINC000882350706 653777372 /nfs/dbraw/zinc/77/73/72/653777372.db2.gz PJUAWNFVPXDJKK-VIFPVBQESA-N 1 0 383.212 2.099 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3nc(Br)c4ccccn43)[C@H]2C1 ZINC000820592376 653777394 /nfs/dbraw/zinc/77/73/94/653777394.db2.gz CKTMTRWPIPFQJD-UONOGXRCSA-N 1 0 393.285 2.032 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000789570982 653777557 /nfs/dbraw/zinc/77/75/57/653777557.db2.gz IFZICOSFBCVUJP-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO Cn1ncc(I)c1CN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000865868006 653777777 /nfs/dbraw/zinc/77/77/77/653777777.db2.gz DMFDUQXNTYLCLC-AWEZNQCLSA-N 1 0 396.276 2.389 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843052073 653778012 /nfs/dbraw/zinc/77/80/12/653778012.db2.gz MAPRFYITNALHFA-UHFFFAOYSA-N 1 0 386.290 2.340 20 0 GEADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2c(I)cnn2C)[C@@H]1C ZINC000865868520 653778018 /nfs/dbraw/zinc/77/80/18/653778018.db2.gz LAOCUJOBJQRMMB-JFGNBEQYSA-N 1 0 391.253 2.092 20 0 GEADRO CN(C)Cc1ccc(NC(=O)C(=O)NCCCCCC[NH3+])cc1Br ZINC000843051574 653778131 /nfs/dbraw/zinc/77/81/31/653778131.db2.gz GKZUUJJWSKOFOV-UHFFFAOYSA-N 1 0 399.333 2.085 20 0 GEADRO C[C@](O)(CNC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000843061690 653778234 /nfs/dbraw/zinc/77/82/34/653778234.db2.gz HFGSOBRVRZPHIR-YOEHRIQHSA-N 1 0 389.309 2.232 20 0 GEADRO O[C@H](C[NH2+]CCCN1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000843061740 653778376 /nfs/dbraw/zinc/77/83/76/653778376.db2.gz HSJYMRSWHVQPRE-MRXNPFEDSA-N 1 0 375.282 2.058 20 0 GEADRO OCCCN1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000843093680 653779165 /nfs/dbraw/zinc/77/91/65/653779165.db2.gz HASDBPRSBXBNEB-CJNGLKHVSA-N 1 0 375.282 2.058 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000843096356 653779266 /nfs/dbraw/zinc/77/92/66/653779266.db2.gz YYRAZGFZIDBBSP-YOEHRIQHSA-N 1 0 376.856 2.378 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)Cc1ccccc1Br ZINC000843109112 653779464 /nfs/dbraw/zinc/77/94/64/653779464.db2.gz DLCZEWHVRPPAJK-SJKOYZFVSA-N 1 0 383.261 2.457 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)Cc1cccc(Br)c1 ZINC000843109824 653779645 /nfs/dbraw/zinc/77/96/45/653779645.db2.gz HBDYUJAAWLRDDQ-SUMWQHHRSA-N 1 0 383.261 2.457 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000843111728 653779856 /nfs/dbraw/zinc/77/98/56/653779856.db2.gz NRKRDFMBWCFHLQ-LSDHHAIUSA-N 1 0 376.856 2.378 20 0 GEADRO C[C@@](O)(C[NH2+][C@H](CO)CN1CCCC1)c1ccc(Br)cc1Cl ZINC000843117912 653779947 /nfs/dbraw/zinc/77/99/47/653779947.db2.gz VEFOWJINYWHXDB-XJKSGUPXSA-N 1 0 391.737 2.356 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000843116112 653779988 /nfs/dbraw/zinc/77/99/88/653779988.db2.gz WDNRWDYHFPJRHK-CRAIPNDOSA-N 1 0 394.313 2.127 20 0 GEADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)N2CCc3sccc3C2)C1 ZINC000789720938 653780484 /nfs/dbraw/zinc/78/04/84/653780484.db2.gz BCLXRFLIDURTTJ-VHDGCEQUSA-N 1 0 381.567 2.011 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1cnn2cccc(Br)c12 ZINC000820715833 653780869 /nfs/dbraw/zinc/78/08/69/653780869.db2.gz OYYOFXOPUOKWEO-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1ccc2c(Br)cnn2c1 ZINC000820714938 653780910 /nfs/dbraw/zinc/78/09/10/653780910.db2.gz IDHGRFZTNGAFKJ-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cnc1Cl ZINC000882432293 653781448 /nfs/dbraw/zinc/78/14/48/653781448.db2.gz QCFFHFWZPYYNHZ-GXTWGEPZSA-N 1 0 375.922 2.485 20 0 GEADRO COc1nc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3)n2)ncc1Br ZINC000843212691 653781619 /nfs/dbraw/zinc/78/16/19/653781619.db2.gz JXRQCGGEOLAAPB-NSHDSACASA-N 1 0 390.241 2.410 20 0 GEADRO Ic1cnc2ccc(-c3noc(C[C@H]4CCC[NH2+]4)n3)cn12 ZINC000843223351 653781756 /nfs/dbraw/zinc/78/17/56/653781756.db2.gz BFEZTRMWQLQAPC-SNVBAGLBSA-N 1 0 395.204 2.283 20 0 GEADRO C[NH2+]C[C@H](C)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000843223390 653781783 /nfs/dbraw/zinc/78/17/83/653781783.db2.gz CDSUBJWVWIXOOH-QMMMGPOBSA-N 1 0 383.193 2.312 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCCCCCC[NH3+])c1cccc(Br)c1 ZINC000843258678 653782302 /nfs/dbraw/zinc/78/23/02/653782302.db2.gz HSNOIYURBYVPLP-UHFFFAOYSA-N 1 0 398.345 2.478 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843259758 653782338 /nfs/dbraw/zinc/78/23/38/653782338.db2.gz SKHAVPYVHIBPGE-ZDUSSCGKSA-N 1 0 384.318 2.132 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000866000019 653782940 /nfs/dbraw/zinc/78/29/40/653782940.db2.gz NNVDGSGMOCBJIU-UHFFFAOYSA-N 1 0 399.296 2.448 20 0 GEADRO CC(C)n1ncc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1I ZINC000866067988 653785061 /nfs/dbraw/zinc/78/50/61/653785061.db2.gz JNMFGAFHGMBLQT-LLVKDONJSA-N 1 0 390.269 2.235 20 0 GEADRO Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(Br)c1 ZINC000843325142 653785123 /nfs/dbraw/zinc/78/51/23/653785123.db2.gz HQZKUYHTOLGMTB-LQYUOIDQSA-N 1 0 394.313 2.084 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1I ZINC000866074044 653785166 /nfs/dbraw/zinc/78/51/66/653785166.db2.gz XQKRLUXFXWYJGJ-GHMZBOCLSA-N 1 0 390.269 2.281 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)o1 ZINC000843379321 653785741 /nfs/dbraw/zinc/78/57/41/653785741.db2.gz XMGOWWVBRZWXKL-INIZCTEOSA-N 1 0 383.901 2.330 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000843399993 653786166 /nfs/dbraw/zinc/78/61/66/653786166.db2.gz ZPTCZQSKJBKWNM-INIZCTEOSA-N 1 0 397.313 2.340 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843451765 653787233 /nfs/dbraw/zinc/78/72/33/653787233.db2.gz XTFYMMGWNBRUPX-AWEZNQCLSA-N 1 0 377.901 2.240 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000843456679 653787424 /nfs/dbraw/zinc/78/74/24/653787424.db2.gz UJIIPCZJQZXIRB-UHFFFAOYSA-N 1 0 382.873 2.117 20 0 GEADRO O=C(/C=C\c1ccc(I)o1)N1CCC2(CC[NH2+]C2)CC1 ZINC000843482300 653788139 /nfs/dbraw/zinc/78/81/39/653788139.db2.gz PUPRSWWNXOLDDQ-RQOWECAXSA-N 1 0 386.233 2.500 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843487044 653788264 /nfs/dbraw/zinc/78/82/64/653788264.db2.gz ZAMFMIJUJIRSFK-QWRGUYRKSA-N 1 0 378.466 2.206 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(I)cc2O)C1 ZINC000866193426 653788446 /nfs/dbraw/zinc/78/84/46/653788446.db2.gz MDGORQSSFRXARH-LLVKDONJSA-N 1 0 388.249 2.411 20 0 GEADRO C[C@H](C(=O)NCCCCCC[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000843511763 653788935 /nfs/dbraw/zinc/78/89/35/653788935.db2.gz KSVGBWQQXHPMRE-LLVKDONJSA-N 1 0 396.285 2.069 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Br)c1 ZINC000866255566 653789365 /nfs/dbraw/zinc/78/93/65/653789365.db2.gz XHMLGBIGCWYSRU-IKGGRYGDSA-N 1 0 394.313 2.321 20 0 GEADRO CC(C)[NH+](CCCNC(=O)c1cc(I)nn1C)C(C)C ZINC000866279857 653789724 /nfs/dbraw/zinc/78/97/24/653789724.db2.gz GRPVCLXAOYGTLT-UHFFFAOYSA-N 1 0 392.285 2.263 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866295985 653790398 /nfs/dbraw/zinc/79/03/98/653790398.db2.gz MBDTUUJFPKMUJX-ZFWWWQNUSA-N 1 0 378.416 2.312 20 0 GEADRO Cc1cc(C(F)(F)C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cnc1Cl ZINC000821271191 653793447 /nfs/dbraw/zinc/79/34/47/653793447.db2.gz OBYVLVXETLGGHV-UHFFFAOYSA-N 1 0 375.847 2.487 20 0 GEADRO Cc1ccc(OS(=O)(=O)CCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000866408058 653793545 /nfs/dbraw/zinc/79/35/45/653793545.db2.gz SPTGGBFTEVPNMC-UHFFFAOYSA-N 1 0 391.331 2.104 20 0 GEADRO Cc1c(Br)cccc1CC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000790638596 653794653 /nfs/dbraw/zinc/79/46/53/653794653.db2.gz FSRVIUUDBVYZOI-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3cccc(Br)c3)C[C@@H]2C1 ZINC000821328644 653794763 /nfs/dbraw/zinc/79/47/63/653794763.db2.gz MQJPYSGZFKWNDL-FPMFFAJLSA-N 1 0 380.286 2.186 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cn1ccc(Br)cc1=O ZINC000866438684 653795674 /nfs/dbraw/zinc/79/56/74/653795674.db2.gz LJOZMWNKOKTTAY-UHFFFAOYSA-N 1 0 398.326 2.263 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccccc1SC(F)(F)F ZINC000844041773 653799876 /nfs/dbraw/zinc/79/98/76/653799876.db2.gz SAYFRRWRUZCSMR-LLVKDONJSA-N 1 0 375.416 2.491 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F ZINC000844060175 653800423 /nfs/dbraw/zinc/80/04/23/653800423.db2.gz CATUXXHFVSJLJX-GFCCVEGCSA-N 1 0 377.432 2.483 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@@H]3CCCOc4cc(Br)ccc43)COCCN12 ZINC000866523697 653800656 /nfs/dbraw/zinc/80/06/56/653800656.db2.gz FYTFFHBHGFVXBH-RHSMWYFYSA-N 1 0 397.269 2.474 20 0 GEADRO Brc1ccc2nnc(N3CCC[C@H]([NH2+]C4CCOCC4)C3)n2c1 ZINC000882727081 653800717 /nfs/dbraw/zinc/80/07/17/653800717.db2.gz LNHSBPYKXMQNAA-AWEZNQCLSA-N 1 0 380.290 2.229 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@@H]3CCc4c3c(Br)ccc4F)COCCN12 ZINC000866525563 653800782 /nfs/dbraw/zinc/80/07/82/653800782.db2.gz SBRDTSVKAZLWQQ-CJNGLKHVSA-N 1 0 385.233 2.386 20 0 GEADRO C[NH+]1CCC(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000882735134 653801312 /nfs/dbraw/zinc/80/13/12/653801312.db2.gz WHPHVEBEUAVGNX-OAHLLOKOSA-N 1 0 380.286 2.160 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(Br)n1 ZINC000790974608 653802058 /nfs/dbraw/zinc/80/20/58/653802058.db2.gz KASZNFKBBBSBSK-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccccc1I ZINC000866570311 653802626 /nfs/dbraw/zinc/80/26/26/653802626.db2.gz KQXLOAPHTJNRBI-JTQLQIEISA-N 1 0 396.294 2.257 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844164681 653802816 /nfs/dbraw/zinc/80/28/16/653802816.db2.gz HFTGTDAZTPCRPD-QGZVFWFLSA-N 1 0 380.539 2.418 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000866577284 653802957 /nfs/dbraw/zinc/80/29/57/653802957.db2.gz DOZHVLUFAKKGQS-SHACYNPGSA-N 1 0 380.535 2.225 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000844196220 653803096 /nfs/dbraw/zinc/80/30/96/653803096.db2.gz FMAVPBVJQYWEQB-RULNRJAQSA-N 1 0 398.248 2.055 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866579844 653803483 /nfs/dbraw/zinc/80/34/83/653803483.db2.gz ZMTDKJQQCAFRAM-GRYCIOLGSA-N 1 0 391.335 2.198 20 0 GEADRO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844278354 653804318 /nfs/dbraw/zinc/80/43/18/653804318.db2.gz OVDZODUZJZABNK-ZIAGYGMSSA-N 1 0 386.279 2.428 20 0 GEADRO OCC1([NH2+]CC2CC2)CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000844333780 653805135 /nfs/dbraw/zinc/80/51/35/653805135.db2.gz ASWIQRQKRPNKMH-QGZVFWFLSA-N 1 0 383.330 2.309 20 0 GEADRO Cc1sc(Br)nc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000791198817 653805699 /nfs/dbraw/zinc/80/56/99/653805699.db2.gz BPSXFIQOENOAAV-NSHDSACASA-N 1 0 376.320 2.301 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882767713 653805756 /nfs/dbraw/zinc/80/57/56/653805756.db2.gz YVUXVOPAGASUEE-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000866608237 653805900 /nfs/dbraw/zinc/80/59/00/653805900.db2.gz CHMJDRDNIYAQEH-ARFHVFGLSA-N 1 0 385.327 2.101 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000866629044 653806930 /nfs/dbraw/zinc/80/69/30/653806930.db2.gz CATDBUDOKKPOBL-GDLCADMTSA-N 1 0 387.265 2.462 20 0 GEADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1c(I)cnn1C ZINC000866632276 653807472 /nfs/dbraw/zinc/80/74/72/653807472.db2.gz WQVGCSLQFFSIIT-SNVBAGLBSA-N 1 0 393.269 2.482 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)c1nccc2c(Br)cccc21 ZINC000821869724 653810209 /nfs/dbraw/zinc/81/02/09/653810209.db2.gz BMQFAHNQUICPJJ-UHFFFAOYSA-N 1 0 378.270 2.184 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cnn(C)c2Br)c1 ZINC000791347398 653810162 /nfs/dbraw/zinc/81/01/62/653810162.db2.gz RXOIVNBCYCCTDP-UHFFFAOYSA-N 1 0 395.301 2.395 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000844641027 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ZINC000822795278 653840846 /nfs/dbraw/zinc/84/08/46/653840846.db2.gz CEIGHIXUCKPRKX-UHFFFAOYSA-N 1 0 379.517 2.416 20 0 GEADRO C[C@H]1CN(Cc2c(I)cnn2C)CCN1c1cc[nH+]cc1 ZINC000895557639 653840960 /nfs/dbraw/zinc/84/09/60/653840960.db2.gz PZPPNEOHNSFEDA-LBPRGKRZSA-N 1 0 397.264 2.130 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1Cl ZINC000883470639 653841033 /nfs/dbraw/zinc/84/10/33/653841033.db2.gz BBFSTDRDZYHZBG-UHFFFAOYSA-N 1 0 387.811 2.200 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1nnsc1Cl ZINC000845244531 653841164 /nfs/dbraw/zinc/84/11/64/653841164.db2.gz WDLRSDCVWJXFHW-SECBINFHSA-N 1 0 378.882 2.080 20 0 GEADRO NS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1C(F)(F)F ZINC000895572951 653841221 /nfs/dbraw/zinc/84/12/21/653841221.db2.gz WUWGQXCSQLVVDX-CHWSQXEVSA-N 1 0 395.472 2.345 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1nnsc1Cl ZINC000845244532 653841219 /nfs/dbraw/zinc/84/12/19/653841219.db2.gz WDLRSDCVWJXFHW-VIFPVBQESA-N 1 0 378.882 2.080 20 0 GEADRO Cc1coc(-c2ccc(C)c(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c2)n1 ZINC000883471294 653841262 /nfs/dbraw/zinc/84/12/62/653841262.db2.gz FAJMKPYGPHLPRG-UHFFFAOYSA-N 1 0 377.388 2.470 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(CC[NH3+])CC(F)(F)F ZINC000883472341 653841560 /nfs/dbraw/zinc/84/15/60/653841560.db2.gz ZWHFFGOAYSHTOQ-UHFFFAOYSA-N 1 0 397.806 2.409 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883477494 653842046 /nfs/dbraw/zinc/84/20/46/653842046.db2.gz FOSPKKTUCHZZPS-UHFFFAOYSA-N 1 0 389.315 2.364 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cc3c(cc1Cl)CCC3=O)C2 ZINC000883480908 653842349 /nfs/dbraw/zinc/84/23/49/653842349.db2.gz QTSPBTYDRBUQMU-UHFFFAOYSA-N 1 0 397.909 2.131 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccccc1OC(F)(F)F)C2 ZINC000883481522 653842797 /nfs/dbraw/zinc/84/27/97/653842797.db2.gz OTOUUOVYWHGVDE-UHFFFAOYSA-N 1 0 393.412 2.247 20 0 GEADRO COc1cc(Br)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000822879816 653844409 /nfs/dbraw/zinc/84/44/09/653844409.db2.gz WYLFSWOCZGFNJT-RYUDHWBXSA-N 1 0 399.285 2.059 20 0 GEADRO CC[N@H+](CCCNC(=O)N(C)CC(C)(C)S(C)(=O)=O)C1CCCCC1 ZINC000845363188 653845430 /nfs/dbraw/zinc/84/54/30/653845430.db2.gz UPKGSRTTYJECLG-UHFFFAOYSA-N 1 0 375.579 2.496 20 0 GEADRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)Nc2ccncc2Br)c1 ZINC000883550504 653845552 /nfs/dbraw/zinc/84/55/52/653845552.db2.gz ROIODYOJFVOMSW-INIZCTEOSA-N 1 0 391.269 2.453 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866897662 653845662 /nfs/dbraw/zinc/84/56/62/653845662.db2.gz ZVALOQQWNVFILN-QGZVFWFLSA-N 1 0 387.571 2.193 20 0 GEADRO O=C(OCc1nnnn1-c1ccccc1Br)c1ccc2c[nH+]cn2c1 ZINC000792552674 653845798 /nfs/dbraw/zinc/84/57/98/653845798.db2.gz VXMVWTIHDARBAN-UHFFFAOYSA-N 1 0 399.208 2.430 20 0 GEADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@@](C)(=O)CC ZINC000866899742 653846005 /nfs/dbraw/zinc/84/60/05/653846005.db2.gz MUZRZXIWMVWRRK-XDHUDOTRSA-N 1 0 387.571 2.193 20 0 GEADRO COC[C@]1(c2nc(-c3cccc(I)c3)no2)CC[NH2+]C1 ZINC000822920566 653846254 /nfs/dbraw/zinc/84/62/54/653846254.db2.gz ZLKSDDSVFJQJED-AWEZNQCLSA-N 1 0 385.205 2.219 20 0 GEADRO C[C@@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)[C@H]1C[NH3+] ZINC000883592924 653846445 /nfs/dbraw/zinc/84/64/45/653846445.db2.gz XFTURHSXGVXVRF-SKDRFNHKSA-N 1 0 397.273 2.371 20 0 GEADRO CO[C@@H](C[NH3+])Cc1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000822946389 653846822 /nfs/dbraw/zinc/84/68/22/653846822.db2.gz DEZCGHGUHMZNMQ-LLVKDONJSA-N 1 0 398.257 2.100 20 0 GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N[C@H]1CCC[NH2+]CC1 ZINC000883593353 653846790 /nfs/dbraw/zinc/84/67/90/653846790.db2.gz HEOHKHWIBZCGGH-JTQLQIEISA-N 1 0 383.246 2.044 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)Nc1cc(F)c(F)cc1Cl)C2 ZINC000883623305 653848340 /nfs/dbraw/zinc/84/83/40/653848340.db2.gz QEEVRLTYWUNZJH-UHFFFAOYSA-N 1 0 386.811 2.057 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)CC1 ZINC000883627653 653848366 /nfs/dbraw/zinc/84/83/66/653848366.db2.gz KXVXGOMTYGKUKH-UHFFFAOYSA-N 1 0 398.301 2.435 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1cscc1Br ZINC000883638986 653848686 /nfs/dbraw/zinc/84/86/86/653848686.db2.gz BXPXNZJXQJLEDU-ZWNOBZJWSA-N 1 0 388.331 2.197 20 0 GEADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000895768653 653849751 /nfs/dbraw/zinc/84/97/51/653849751.db2.gz JFZHIVQRPHDEMO-BBRMVZONSA-N 1 0 379.298 2.191 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C1 ZINC000823045385 653851386 /nfs/dbraw/zinc/85/13/86/653851386.db2.gz VUIATTGQYBAQGK-OAHLLOKOSA-N 1 0 382.302 2.146 20 0 GEADRO Nc1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc(Br)n1 ZINC000823064093 653852233 /nfs/dbraw/zinc/85/22/33/653852233.db2.gz VMXADONLVPWVID-CQSZACIVSA-N 1 0 391.269 2.245 20 0 GEADRO O=C(Cc1noc([C@H]2C[C@]23CC[NH2+]C3)n1)Nc1ccccc1Br ZINC000823075545 653852512 /nfs/dbraw/zinc/85/25/12/653852512.db2.gz SHPPQQMOYJADDH-HWPZZCPQSA-N 1 0 377.242 2.480 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866939853 653852571 /nfs/dbraw/zinc/85/25/71/653852571.db2.gz DVTFEHFFVWIIAQ-UTUOFQBUSA-N 1 0 382.452 2.084 20 0 GEADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895855791 653852830 /nfs/dbraw/zinc/85/28/30/653852830.db2.gz RWZNHDBDYWEBSS-DZGCQCFKSA-N 1 0 381.270 2.110 20 0 GEADRO COC[C@]1(c2nc(-c3cc(Br)c(O)c(OC)c3)no2)CC[NH2+]C1 ZINC000823075858 653852872 /nfs/dbraw/zinc/85/28/72/653852872.db2.gz ZEJWJZODRTXQFB-HNNXBMFYSA-N 1 0 384.230 2.091 20 0 GEADRO C[C@H]([NH3+])CCc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000823116522 653854112 /nfs/dbraw/zinc/85/41/12/653854112.db2.gz WCCZJMQRBYZVIB-QMMMGPOBSA-N 1 0 383.193 2.269 20 0 GEADRO [NH3+]CC1(Cc2nc(-c3ccc4ncc(I)n4c3)no2)CC1 ZINC000823116100 653854177 /nfs/dbraw/zinc/85/41/77/653854177.db2.gz QGWCYTFXAWKSJC-UHFFFAOYSA-N 1 0 395.204 2.270 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1I ZINC000895887682 653855613 /nfs/dbraw/zinc/85/56/13/653855613.db2.gz NJSHTENOJHDUOA-SNVBAGLBSA-N 1 0 390.269 2.067 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[N@@H+]1CCCC[C@H]1C ZINC000792952971 653856974 /nfs/dbraw/zinc/85/69/74/653856974.db2.gz LQYMGRWGYILHMK-NEPJUHHUSA-N 1 0 383.290 2.162 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)nc1Br ZINC000792953525 653857416 /nfs/dbraw/zinc/85/74/16/653857416.db2.gz QHXSMOHAOSYNRF-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO O=C(NCc1noc([C@H]2C[C@@]23CC[NH2+]C3)n1)c1ccc(Br)cc1 ZINC000823200349 653857534 /nfs/dbraw/zinc/85/75/34/653857534.db2.gz ULFCTAJEXWMFHY-MLGOLLRUSA-N 1 0 377.242 2.229 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCCc1sccc1Br ZINC000883951897 653857795 /nfs/dbraw/zinc/85/77/95/653857795.db2.gz RYYDOKJBROYPCV-UHFFFAOYSA-N 1 0 378.336 2.273 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000895945542 653858118 /nfs/dbraw/zinc/85/81/18/653858118.db2.gz WUEDSOVNUVXMBB-BLLLJJGKSA-N 1 0 395.297 2.377 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)nc1Br ZINC000792969463 653858237 /nfs/dbraw/zinc/85/82/37/653858237.db2.gz PGHSZIVZBSODPZ-WCQYABFASA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000895960495 653858918 /nfs/dbraw/zinc/85/89/18/653858918.db2.gz DMMYMZHDAWGJHB-RYUDHWBXSA-N 1 0 389.315 2.109 20 0 GEADRO CS(=O)(=O)C1(c2nc(COc3ccc(Cl)c(F)c3)no2)CC[NH2+]CC1 ZINC000823252763 653859768 /nfs/dbraw/zinc/85/97/68/653859768.db2.gz OJWHJLBJUAQTCO-UHFFFAOYSA-N 1 0 389.836 2.064 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)n2)C1 ZINC000792996068 653859865 /nfs/dbraw/zinc/85/98/65/653859865.db2.gz JWXKWKSHUCIFEG-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884011362 653860482 /nfs/dbraw/zinc/86/04/82/653860482.db2.gz AZKKJSFSBDJYBN-SECBINFHSA-N 1 0 384.665 2.165 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCCc2ccc(Br)cc2)C1 ZINC000884020080 653860752 /nfs/dbraw/zinc/86/07/52/653860752.db2.gz MNZHRNCBJKAFIV-HNNXBMFYSA-N 1 0 396.329 2.085 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3C(=O)Nc4c3cccc4Br)[C@@H]2C1 ZINC000823276218 653860702 /nfs/dbraw/zinc/86/07/02/653860702.db2.gz MUWNRZUSEFDWIS-NJZAAPMLSA-N 1 0 392.297 2.428 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)nc1Br ZINC000793001868 653860811 /nfs/dbraw/zinc/86/08/11/653860811.db2.gz PVHLNHKPIVXSEB-NWDGAFQWSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nc1Br ZINC000793005115 653861137 /nfs/dbraw/zinc/86/11/37/653861137.db2.gz LATHMOBRAAETNO-OLZOCXBDSA-N 1 0 395.301 2.034 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)COCCc2ccc(Br)cc2)CC1 ZINC000884042439 653861211 /nfs/dbraw/zinc/86/12/11/653861211.db2.gz ZVNORBCOJFULSC-UHFFFAOYSA-N 1 0 399.329 2.365 20 0 GEADRO Cn1ncc(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)c1I ZINC000845727441 653861333 /nfs/dbraw/zinc/86/13/33/653861333.db2.gz ARZMCLJDQRZECH-SECBINFHSA-N 1 0 377.226 2.054 20 0 GEADRO Cn1ncc(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)c1I ZINC000845727442 653861380 /nfs/dbraw/zinc/86/13/80/653861380.db2.gz ARZMCLJDQRZECH-VIFPVBQESA-N 1 0 377.226 2.054 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000845734707 653861407 /nfs/dbraw/zinc/86/14/07/653861407.db2.gz IIZSIUVDAQZRFE-ZIAGYGMSSA-N 1 0 386.539 2.317 20 0 GEADRO Cc1cc([C@H]([NH3+])Cc2nc(-c3ccc(S(C)(=O)=O)o3)no2)cc(Cl)n1 ZINC000823296257 653861520 /nfs/dbraw/zinc/86/15/20/653861520.db2.gz SANUPJHHWFJKOX-SNVBAGLBSA-N 1 0 382.829 2.332 20 0 GEADRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000884059763 653861618 /nfs/dbraw/zinc/86/16/18/653861618.db2.gz DTPRIYGHGGJFKP-ZDUSSCGKSA-N 1 0 381.420 2.100 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)s1 ZINC000884063638 653862054 /nfs/dbraw/zinc/86/20/54/653862054.db2.gz GTBUDGGYZMGRBU-HNNXBMFYSA-N 1 0 389.587 2.404 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cncc(Br)c1 ZINC000866997289 653862487 /nfs/dbraw/zinc/86/24/87/653862487.db2.gz LPDFVEOKYJZEDP-LBPRGKRZSA-N 1 0 387.278 2.238 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)c1ccc(Br)cc1 ZINC000884082534 653862696 /nfs/dbraw/zinc/86/26/96/653862696.db2.gz LAOCFAZOBOZZGZ-HOCLYGCPSA-N 1 0 394.313 2.214 20 0 GEADRO [NH3+][C@H](C(=O)NCCC(=O)NC1CCCCC1)c1ccc(Br)cc1 ZINC000884097536 653863396 /nfs/dbraw/zinc/86/33/96/653863396.db2.gz IGFUWMNYNYKOKS-INIZCTEOSA-N 1 0 382.302 2.404 20 0 GEADRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884113940 653864223 /nfs/dbraw/zinc/86/42/23/653864223.db2.gz DHLJXDLHHGQMTD-XJKSGUPXSA-N 1 0 396.329 2.460 20 0 GEADRO C[C@@H]1[C@H](COC(=O)CN2C(=O)COc3cc(Br)ccc32)CC[N@@H+]1C ZINC000845815588 653864596 /nfs/dbraw/zinc/86/45/96/653864596.db2.gz UXIAKPBRCSDDMC-NEPJUHHUSA-N 1 0 397.269 2.058 20 0 GEADRO [NH3+][C@H](C(=O)NCCCNC(=O)c1cccs1)c1ccc(Br)cc1 ZINC000884116346 653864652 /nfs/dbraw/zinc/86/46/52/653864652.db2.gz SMBDQBGTNGAZLW-AWEZNQCLSA-N 1 0 396.310 2.447 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CCCCC2=O)C1)c1ccc(Br)cc1 ZINC000884129919 653864766 /nfs/dbraw/zinc/86/47/66/653864766.db2.gz TWQHYBVQQHCVPY-NVXWUHKLSA-N 1 0 394.313 2.452 20 0 GEADRO [NH3+][C@H](C(=O)NCc1cc2c([nH]c1=O)CCC2)c1ccc(Br)cc1 ZINC000884132533 653865320 /nfs/dbraw/zinc/86/53/20/653865320.db2.gz SECPJKRLZDMPOP-HNNXBMFYSA-N 1 0 376.254 2.355 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000896137792 653866071 /nfs/dbraw/zinc/86/60/71/653866071.db2.gz IQLGEVYWFWSSHE-LBPRGKRZSA-N 1 0 379.448 2.326 20 0 GEADRO Cn1cc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c(Br)n1 ZINC000896156071 653866470 /nfs/dbraw/zinc/86/64/70/653866470.db2.gz JWVUHFADCUDDRI-UHFFFAOYSA-N 1 0 395.301 2.443 20 0 GEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1SCCS1 ZINC000823392807 653866944 /nfs/dbraw/zinc/86/69/44/653866944.db2.gz OSALCZKLDHVRCG-SFHVURJKSA-N 1 0 381.567 2.071 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccc(Br)cc1 ZINC000884195141 653867375 /nfs/dbraw/zinc/86/73/75/653867375.db2.gz CSRPHWQPDCGWIO-LSDHHAIUSA-N 1 0 390.285 2.024 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]([NH3+])CCOC)CC1 ZINC000884212537 653868313 /nfs/dbraw/zinc/86/83/13/653868313.db2.gz ICOIOQXTDWVOPF-DLBZAZTESA-N 1 0 398.345 2.408 20 0 GEADRO Cc1nnc([C@@H]2CCCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)C2)[nH]1 ZINC000884233808 653868943 /nfs/dbraw/zinc/86/89/43/653868943.db2.gz ZMCSRZATRRZLTR-TZMCWYRMSA-N 1 0 378.274 2.282 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884242782 653869045 /nfs/dbraw/zinc/86/90/45/653869045.db2.gz ILEQSLHKDWCCIB-MRXNPFEDSA-N 1 0 395.297 2.379 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000896445658 653880366 /nfs/dbraw/zinc/88/03/66/653880366.db2.gz QLPBXEJMRMLENQ-UHFFFAOYSA-N 1 0 390.269 2.365 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884270421 653869935 /nfs/dbraw/zinc/86/99/35/653869935.db2.gz MBLMQIUSMMKAQP-GXSJLCMTSA-N 1 0 398.692 2.411 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884279459 653870223 /nfs/dbraw/zinc/87/02/23/653870223.db2.gz LEQHFLWQZHLJPR-OAHLLOKOSA-N 1 0 398.692 2.494 20 0 GEADRO O=C(c1nn2c(c1Br)CCC2)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000884294653 653871029 /nfs/dbraw/zinc/87/10/29/653871029.db2.gz HDHXMFVPWWFSBA-CHWSQXEVSA-N 1 0 381.318 2.444 20 0 GEADRO CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884306484 653871251 /nfs/dbraw/zinc/87/12/51/653871251.db2.gz GBXJQNHAFVEPCT-ZIAGYGMSSA-N 1 0 384.274 2.186 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)COCCc1ccc(Br)cc1)C(F)(F)F ZINC000884303439 653871316 /nfs/dbraw/zinc/87/13/16/653871316.db2.gz ORFIYENJKZHYJF-GFCCVEGCSA-N 1 0 383.208 2.404 20 0 GEADRO COC(=O)N1CCC([C@H](C)NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884318612 653872080 /nfs/dbraw/zinc/87/20/80/653872080.db2.gz ASNOHWMPTHWRIX-NHYWBVRUSA-N 1 0 398.301 2.432 20 0 GEADRO Cc1ccc(F)c(Br)c1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000884341022 653873061 /nfs/dbraw/zinc/87/30/61/653873061.db2.gz RJASEZKWFWLWOD-GFCCVEGCSA-N 1 0 396.264 2.424 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348835 653873801 /nfs/dbraw/zinc/87/38/01/653873801.db2.gz HTVUSMIPCAQMIK-ZNMIVQPWSA-N 1 0 383.945 2.434 20 0 GEADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000884356603 653874110 /nfs/dbraw/zinc/87/41/10/653874110.db2.gz JBHVZSXKZLGAQV-CHWSQXEVSA-N 1 0 378.523 2.170 20 0 GEADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000884364337 653874158 /nfs/dbraw/zinc/87/41/58/653874158.db2.gz QEQFIYHKEJFHSI-RRFJBIMHSA-N 1 0 394.313 2.182 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2nn3c(c2Br)CCC3)C1 ZINC000884388253 653875148 /nfs/dbraw/zinc/87/51/48/653875148.db2.gz QKLXMUVCGXINOS-DYEKYZERSA-N 1 0 397.317 2.093 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884395648 653875405 /nfs/dbraw/zinc/87/54/05/653875405.db2.gz HNYXBXLHOUFIBQ-UHFFFAOYSA-N 1 0 386.681 2.493 20 0 GEADRO Cn1ncc(Br)c1CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000884408262 653875785 /nfs/dbraw/zinc/87/57/85/653875785.db2.gz BQZJZGYEPOHDPG-HNNXBMFYSA-N 1 0 379.258 2.025 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000884453030 653877004 /nfs/dbraw/zinc/87/70/04/653877004.db2.gz DUYUGQLBUJKUBV-AWEZNQCLSA-N 1 0 378.416 2.210 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000823687745 653877142 /nfs/dbraw/zinc/87/71/42/653877142.db2.gz TWOKVCLIPGXQLA-LBPRGKRZSA-N 1 0 398.139 2.063 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884458562 653877512 /nfs/dbraw/zinc/87/75/12/653877512.db2.gz HYYQDHYOXDPUSD-RKDXNWHRSA-N 1 0 384.665 2.245 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000793456035 653878588 /nfs/dbraw/zinc/87/85/88/653878588.db2.gz KAJWBDAJRXESDE-SNVBAGLBSA-N 1 0 378.514 2.061 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCC[N@@H+](C)CC(C)C ZINC000845995493 653878863 /nfs/dbraw/zinc/87/88/63/653878863.db2.gz CVYNOIVFICOJJU-OAHLLOKOSA-N 1 0 390.981 2.272 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884496326 653878918 /nfs/dbraw/zinc/87/89/18/653878918.db2.gz STBILERMUOVQDB-BZWBGLRVSA-N 1 0 394.313 2.021 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NCc2ccsc2Br)C1 ZINC000884507972 653879351 /nfs/dbraw/zinc/87/93/51/653879351.db2.gz QRLWHWIKSQLSBN-NSHDSACASA-N 1 0 388.331 2.021 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000793527229 653879679 /nfs/dbraw/zinc/87/96/79/653879679.db2.gz BYFRIHHZVSFASS-UHFFFAOYSA-N 1 0 379.498 2.272 20 0 GEADRO CS(=O)(=O)CCN1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000823789261 653879757 /nfs/dbraw/zinc/87/97/57/653879757.db2.gz JLIMFQGHSOIYSW-AWEZNQCLSA-N 1 0 376.444 2.190 20 0 GEADRO CC1(C)CC[C@H](CNC(=O)C(=O)NCc2sccc2Br)[NH2+]C1 ZINC000884544908 653880336 /nfs/dbraw/zinc/88/03/36/653880336.db2.gz SUSDXMQMDZTRPA-SNVBAGLBSA-N 1 0 388.331 2.021 20 0 GEADRO Cc1nc(C)c(CNC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)s1 ZINC000884569316 653881484 /nfs/dbraw/zinc/88/14/84/653881484.db2.gz JAAHOXFAQSRJDN-UHFFFAOYSA-N 1 0 380.901 2.017 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000884601460 653882177 /nfs/dbraw/zinc/88/21/77/653882177.db2.gz LYBYVFIBGXWFLW-UHFFFAOYSA-N 1 0 384.318 2.087 20 0 GEADRO C[C@H](NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896526842 653882607 /nfs/dbraw/zinc/88/26/07/653882607.db2.gz LPVNFZAZLYUKIE-LZLXCTOHSA-N 1 0 394.357 2.477 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)C[C@@H]1[NH+]1CCCC1 ZINC000867124678 653883113 /nfs/dbraw/zinc/88/31/13/653883113.db2.gz OPYREVZSWPICJR-QWRGUYRKSA-N 1 0 379.910 2.074 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846037600 653884112 /nfs/dbraw/zinc/88/41/12/653884112.db2.gz ZNABDCFSWKWVFR-CVEARBPZSA-N 1 0 392.928 2.474 20 0 GEADRO O=C(NCc1ccc2ccc(Br)cc2c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884687905 653884277 /nfs/dbraw/zinc/88/42/77/653884277.db2.gz MSAQFOIGHGASRH-INIZCTEOSA-N 1 0 390.281 2.087 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000884690416 653884473 /nfs/dbraw/zinc/88/44/73/653884473.db2.gz YIJZVQINGAGJMT-UHFFFAOYSA-N 1 0 390.281 2.087 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@](C)(c4ccc(Cl)s4)C3=O)C2)C1 ZINC000793769878 653884938 /nfs/dbraw/zinc/88/49/38/653884938.db2.gz VIKXWAJJGHQRLF-IAGOWNOFSA-N 1 0 382.917 2.154 20 0 GEADRO C[C@H](NC(=O)C(C)(C)c1cccc(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896558805 653885602 /nfs/dbraw/zinc/88/56/02/653885602.db2.gz YYZCXSRHQGPGBV-XJKSGUPXSA-N 1 0 382.346 2.477 20 0 GEADRO C[C@H](NC(=O)C1(c2cccc(Br)c2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896574102 653886553 /nfs/dbraw/zinc/88/65/53/653886553.db2.gz XHOFVTCPJGFJQC-BBRMVZONSA-N 1 0 380.330 2.231 20 0 GEADRO C[C@@]1(CCNC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)C[C@@]1(F)Cl ZINC000884742326 653886931 /nfs/dbraw/zinc/88/69/31/653886931.db2.gz RKQBPSBXQVWMOT-SJORKVTESA-N 1 0 390.286 2.448 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884774714 653889549 /nfs/dbraw/zinc/88/95/49/653889549.db2.gz PYHFLZRQANRBGB-AWEZNQCLSA-N 1 0 396.329 2.268 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000884783495 653889729 /nfs/dbraw/zinc/88/97/29/653889729.db2.gz YQRCWMKJQQKRQX-UWVGGRQHSA-N 1 0 398.212 2.205 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)nc1Br ZINC000846206195 653891319 /nfs/dbraw/zinc/89/13/19/653891319.db2.gz XLYSZUDRHMMSOK-UHFFFAOYSA-N 1 0 383.290 2.035 20 0 GEADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(F)cc2Cl)CCCO1 ZINC000867192392 653891351 /nfs/dbraw/zinc/89/13/51/653891351.db2.gz WXEBGJJDEANFFN-ZDUSSCGKSA-N 1 0 378.897 2.399 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000896696894 653891446 /nfs/dbraw/zinc/89/14/46/653891446.db2.gz MGVIJUJHYZGGGS-CYBMUJFWSA-N 1 0 384.322 2.166 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)c1Cl ZINC000846231660 653892176 /nfs/dbraw/zinc/89/21/76/653892176.db2.gz QBDZGMMBSWCXIG-BONVTDFDSA-N 1 0 392.930 2.246 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)[C@H]1CC[NH3+] ZINC000846230359 653892228 /nfs/dbraw/zinc/89/22/28/653892228.db2.gz GPDKOEZPBGKRSW-WFASDCNBSA-N 1 0 387.933 2.180 20 0 GEADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1cc(Br)cnc1Cl ZINC000846234443 653892413 /nfs/dbraw/zinc/89/24/13/653892413.db2.gz PAERFKJEWOISCG-UHFFFAOYSA-N 1 0 382.711 2.166 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cn2ncnc12 ZINC000824368583 653892980 /nfs/dbraw/zinc/89/29/80/653892980.db2.gz SJRKSGJLNUWEMY-KGLIPLIRSA-N 1 0 378.274 2.239 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000846248531 653893041 /nfs/dbraw/zinc/89/30/41/653893041.db2.gz XBYHCPGGRPFHRD-QZTJIDSGSA-N 1 0 375.916 2.388 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846248530 653893078 /nfs/dbraw/zinc/89/30/78/653893078.db2.gz XBYHCPGGRPFHRD-MSOLQXFVSA-N 1 0 375.916 2.388 20 0 GEADRO C[C@]12CCN(C(=O)C[NH+]3CCCC3)C[C@H]1C2(Br)Br ZINC000824395766 653894090 /nfs/dbraw/zinc/89/40/90/653894090.db2.gz NNBMNDNIKWCAEK-PWSUYJOCSA-N 1 0 380.124 2.437 20 0 GEADRO C[C@@H](CNc1ccc(Br)cc1-c1nn[nH]n1)C[NH+]1CCOCC1 ZINC000824426974 653894746 /nfs/dbraw/zinc/89/47/46/653894746.db2.gz JHFZZDRSRNKVLU-NSHDSACASA-N 1 0 381.278 2.009 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000884956274 653897851 /nfs/dbraw/zinc/89/78/51/653897851.db2.gz ZHOLWAAQYZKYTA-RYUDHWBXSA-N 1 0 389.315 2.363 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1Cl ZINC000884956895 653898317 /nfs/dbraw/zinc/89/83/17/653898317.db2.gz ICHPMDZADKHLAF-QWRGUYRKSA-N 1 0 390.864 2.171 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000884977030 653902540 /nfs/dbraw/zinc/90/25/40/653902540.db2.gz HPBPKFMKCYVYAE-MWLCHTKSSA-N 1 0 377.794 2.028 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884977383 653902798 /nfs/dbraw/zinc/90/27/98/653902798.db2.gz QUNDRGLAFZYEOE-HNNXBMFYSA-N 1 0 377.794 2.172 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000897015611 653903812 /nfs/dbraw/zinc/90/38/12/653903812.db2.gz JPJWYCJGSVSQQA-OCCSQVGLSA-N 1 0 385.302 2.178 20 0 GEADRO Cc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)nc1Br ZINC000794370287 653906342 /nfs/dbraw/zinc/90/63/42/653906342.db2.gz WMSWWEJMBCFPAQ-GFCCVEGCSA-N 1 0 385.306 2.461 20 0 GEADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000846682599 653906343 /nfs/dbraw/zinc/90/63/43/653906343.db2.gz RYJGMHWSHBQIIC-NSHDSACASA-N 1 0 387.278 2.235 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000867276651 653908184 /nfs/dbraw/zinc/90/81/84/653908184.db2.gz UACYUJJWUQDDKC-NSHDSACASA-N 1 0 381.420 2.194 20 0 GEADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C3(Br)CC3)C2)ccn1 ZINC000824797743 653908444 /nfs/dbraw/zinc/90/84/44/653908444.db2.gz OPOATRCYVIRSQA-OAHLLOKOSA-N 1 0 382.302 2.441 20 0 GEADRO CC(=O)N[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000867287830 653909773 /nfs/dbraw/zinc/90/97/73/653909773.db2.gz YCSBYEOGNKYXRM-INIZCTEOSA-N 1 0 396.329 2.474 20 0 GEADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/C=C(Cl)Cl ZINC000897178790 653909950 /nfs/dbraw/zinc/90/99/50/653909950.db2.gz JYGWZIHXONUUPN-WGPYJDKQSA-N 1 0 384.307 2.267 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ncc(Br)c2cccnc21 ZINC000897216279 653910646 /nfs/dbraw/zinc/91/06/46/653910646.db2.gz NZTTVKWLNAVZSZ-CABCVRRESA-N 1 0 377.286 2.428 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000867307198 653912629 /nfs/dbraw/zinc/91/26/29/653912629.db2.gz XGEOCJRQGRTXCC-PXAZEXFGSA-N 1 0 394.313 2.393 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(C)cnc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000885115943 653913188 /nfs/dbraw/zinc/91/31/88/653913188.db2.gz QMRMDOJYOGEQMD-OLZOCXBDSA-N 1 0 375.947 2.244 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000885175274 653915246 /nfs/dbraw/zinc/91/52/46/653915246.db2.gz FOFMFNJHSYQCDH-UHFFFAOYSA-N 1 0 392.297 2.286 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885205329 653916662 /nfs/dbraw/zinc/91/66/62/653916662.db2.gz ZQYYSWQBFODXHK-UHFFFAOYSA-N 1 0 384.318 2.430 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000885203129 653916698 /nfs/dbraw/zinc/91/66/98/653916698.db2.gz NJTDLSWAPLROGC-CQSZACIVSA-N 1 0 388.295 2.137 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)NCCc1sccc1Br ZINC000885210477 653916890 /nfs/dbraw/zinc/91/68/90/653916890.db2.gz URSVWAIFPMPBOF-UHFFFAOYSA-N 1 0 390.347 2.147 20 0 GEADRO CC[C@@H](C)[NH+]1CCN(Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000825098378 653917671 /nfs/dbraw/zinc/91/76/71/653917671.db2.gz HWWPYNOWDLFGSC-HIFRSBDPSA-N 1 0 388.965 2.121 20 0 GEADRO CCn1nc(C)c(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)n1 ZINC000825134147 653918625 /nfs/dbraw/zinc/91/86/25/653918625.db2.gz VUHCZEAWBALMIJ-CYBMUJFWSA-N 1 0 397.317 2.318 20 0 GEADRO Cc1nn(C)c(C[NH2+]CCCONC(=O)OC(C)(C)C)c1Br ZINC000897425907 653921326 /nfs/dbraw/zinc/92/13/26/653921326.db2.gz HGMFKPNOBKIMGJ-UHFFFAOYSA-N 1 0 377.283 2.427 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000794841084 653922038 /nfs/dbraw/zinc/92/20/38/653922038.db2.gz LHGFOIPDSZUBIV-KFWWJZLASA-N 1 0 388.555 2.499 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3nc(F)ccc3Br)cn2)CC1 ZINC000847311412 653924306 /nfs/dbraw/zinc/92/43/06/653924306.db2.gz WTSSNUWPHQMYNI-UHFFFAOYSA-N 1 0 394.248 2.382 20 0 GEADRO O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847360547 653925794 /nfs/dbraw/zinc/92/57/94/653925794.db2.gz BAJHVTNTUUHRLB-MISXGVKJSA-N 1 0 386.279 2.277 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000825343789 653926017 /nfs/dbraw/zinc/92/60/17/653926017.db2.gz QFTYAVOEGFYZRW-JMSVASOKSA-N 1 0 376.316 2.428 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847373429 653926096 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C[N@@H+]1CCCN(CCCNC(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000847492211 653931126 /nfs/dbraw/zinc/93/11/26/653931126.db2.gz OJIGNUHXNRALSE-UHFFFAOYSA-N 1 0 389.725 2.255 20 0 GEADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897669322 653932430 /nfs/dbraw/zinc/93/24/30/653932430.db2.gz QVJJUGBUCQQTTA-IUODEOHRSA-N 1 0 381.270 2.110 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000885456110 653933593 /nfs/dbraw/zinc/93/35/93/653933593.db2.gz XVFWZNPTGFHSGT-KGLIPLIRSA-N 1 0 386.901 2.374 20 0 GEADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cn(C)nc2Br)cc1 ZINC000897698027 653933849 /nfs/dbraw/zinc/93/38/49/653933849.db2.gz KOUBOOFBJVOKOQ-CQSZACIVSA-N 1 0 381.274 2.224 20 0 GEADRO CC1(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCC2(CC1)OCCO2 ZINC000897720017 653934947 /nfs/dbraw/zinc/93/49/47/653934947.db2.gz ZXDHBTBMISXOAJ-UHFFFAOYSA-N 1 0 388.917 2.400 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000825625166 653935703 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O=C(N1CC[C@@H](Oc2cncc(Br)c2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897816191 653938818 /nfs/dbraw/zinc/93/88/18/653938818.db2.gz LDSVOXBCORWINA-PBHICJAKSA-N 1 0 380.286 2.310 20 0 GEADRO C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1I)C[NH+](C)C ZINC000897823884 653939254 /nfs/dbraw/zinc/93/92/54/653939254.db2.gz ONBZVDVBCKDJDY-SNVBAGLBSA-N 1 0 392.285 2.170 20 0 GEADRO COC(=O)C[C@H]([NH2+]Cc1cn(C)nc1I)C(C)(C)C ZINC000897886956 653942132 /nfs/dbraw/zinc/94/21/32/653942132.db2.gz NDOMVHTVDOEOTD-JTQLQIEISA-N 1 0 379.242 2.092 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1cncs1 ZINC000897929991 653944682 /nfs/dbraw/zinc/94/46/82/653944682.db2.gz GIFYQOUHSSIROC-QMMMGPOBSA-N 1 0 376.301 2.404 20 0 GEADRO Cn1cc(C[NH2+]C2CC3(C2)COC(C)(C)C3)c(I)n1 ZINC000897971134 653946362 /nfs/dbraw/zinc/94/63/62/653946362.db2.gz UQNBHMFBOHBTIR-UHFFFAOYSA-N 1 0 375.254 2.462 20 0 GEADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000897978116 653947364 /nfs/dbraw/zinc/94/73/64/653947364.db2.gz MFAIAHRXVPSSPN-AWEZNQCLSA-N 1 0 396.285 2.230 20 0 GEADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000897979046 653948082 /nfs/dbraw/zinc/94/80/82/653948082.db2.gz WUWBDHHAMGNZGR-KGLIPLIRSA-N 1 0 396.285 2.025 20 0 GEADRO Cn1cc([C@@]2(C[NH2+]Cc3cnn4cc(Br)cnc34)CCCO2)cn1 ZINC000898053021 653951291 /nfs/dbraw/zinc/95/12/91/653951291.db2.gz QFYBXJATTXXTSF-INIZCTEOSA-N 1 0 391.273 2.021 20 0 GEADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCn2c(Br)cnc2C1 ZINC000847908758 653951447 /nfs/dbraw/zinc/95/14/47/653951447.db2.gz HJSHPHJBSCTLLU-ZDUSSCGKSA-N 1 0 399.358 2.205 20 0 GEADRO CCOc1ccc(Br)c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1F ZINC000898067217 653951785 /nfs/dbraw/zinc/95/17/85/653951785.db2.gz AWPSAUGCINVVMG-INIZCTEOSA-N 1 0 391.281 2.419 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898109394 653954086 /nfs/dbraw/zinc/95/40/86/653954086.db2.gz AMSPPUJJRZPNID-UHFFFAOYSA-N 1 0 382.302 2.119 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113530 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COc1cc(Br)c(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1O ZINC000898156325 653956299 /nfs/dbraw/zinc/95/62/99/653956299.db2.gz DEKFMGWEDWESDX-LLVKDONJSA-N 1 0 395.257 2.027 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000867582256 653956403 /nfs/dbraw/zinc/95/64/03/653956403.db2.gz QUHVPMZVEUPWCV-UHFFFAOYSA-N 1 0 378.897 2.458 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC[NH2+]1 ZINC000826764222 653959686 /nfs/dbraw/zinc/95/96/86/653959686.db2.gz UQCFXZWUMGNREW-ZFWWWQNUSA-N 1 0 380.286 2.331 20 0 GEADRO Cc1ncccc1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000898250802 653960694 /nfs/dbraw/zinc/96/06/94/653960694.db2.gz ZXPQVCMUGYGSHM-UHFFFAOYSA-N 1 0 384.299 2.132 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)c2nccn2c1 ZINC000885893254 653962753 /nfs/dbraw/zinc/96/27/53/653962753.db2.gz NEPREZYQISKMCX-CQSZACIVSA-N 1 0 393.285 2.080 20 0 GEADRO S=C1SCCN1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000795704698 653963366 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GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795940440 653978674 /nfs/dbraw/zinc/97/86/74/653978674.db2.gz QZLKAYHEDCDETA-JTQLQIEISA-N 1 0 380.869 2.274 20 0 GEADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1c(F)cncc1Br ZINC000898641641 653979102 /nfs/dbraw/zinc/97/91/02/653979102.db2.gz XJOOGWZVYXUFFU-UHFFFAOYSA-N 1 0 386.265 2.356 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000898659674 653979325 /nfs/dbraw/zinc/97/93/25/653979325.db2.gz ITZMIWUHGDKIDQ-BBRMVZONSA-N 1 0 384.307 2.205 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(I)cc3O)CC[C@@H]21 ZINC000827216886 653981782 /nfs/dbraw/zinc/98/17/82/653981782.db2.gz FWIXHPFZHSZQFK-GWCFXTLKSA-N 1 0 386.233 2.163 20 0 GEADRO Cn1c(=O)oc2cc(C[NH2+][C@H]3CCc4ncc(Br)n4C3)ccc21 ZINC000898723297 653982615 /nfs/dbraw/zinc/98/26/15/653982615.db2.gz DKXKNMDGTCMGDN-NSHDSACASA-N 1 0 377.242 2.195 20 0 GEADRO Brc1cnc2n1C[C@@H]([NH2+]C1CCN(c3cnccn3)CC1)CC2 ZINC000898723689 653982730 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2.457 20 0 GEADRO CC[N@H+](CCNC(=O)Cn1ccc(Br)cc1=O)CCC(F)(F)F ZINC000867787324 653986348 /nfs/dbraw/zinc/98/63/48/653986348.db2.gz JOUFRROMHDFGMH-UHFFFAOYSA-N 1 0 398.223 2.001 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cnc(Cl)n2C)s1 ZINC000848535351 653986744 /nfs/dbraw/zinc/98/67/44/653986744.db2.gz YJWJOTCAFHKXKT-UHFFFAOYSA-N 1 0 390.962 2.498 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000827349118 653987213 /nfs/dbraw/zinc/98/72/13/653987213.db2.gz GMUYRNZXKBEWEV-CZUORRHYSA-N 1 0 375.296 2.380 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000796125789 653987407 /nfs/dbraw/zinc/98/74/07/653987407.db2.gz JPDZSRVVOXTOJT-BLLLJJGKSA-N 1 0 378.897 2.116 20 0 GEADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccnc2I)C12CCC2 ZINC000898835820 653987701 /nfs/dbraw/zinc/98/77/01/653987701.db2.gz PNKXKVVRZQMFHS-NWDGAFQWSA-N 1 0 385.249 2.289 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC[C@H]21 ZINC000827367717 653988245 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CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ncc(Br)cn3n2)C[C@@H]1C ZINC000900799480 654081328 /nfs/dbraw/zinc/08/13/28/654081328.db2.gz JKANDLCSSLCGFK-WCQYABFASA-N 1 0 380.290 2.437 20 0 GEADRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850534074 654081489 /nfs/dbraw/zinc/08/14/89/654081489.db2.gz GEMMQFLVLNFXNF-RISCZKNCSA-N 1 0 396.481 2.108 20 0 GEADRO C[C@H](NC(=O)Cc1c[nH]c2ccc(Br)cc12)[C@@H]1C[N@H+](C)CCN1C ZINC000900805142 654081576 /nfs/dbraw/zinc/08/15/76/654081576.db2.gz OGNZCCROOKMWET-SJCJKPOMSA-N 1 0 393.329 2.223 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000850520068 654081651 /nfs/dbraw/zinc/08/16/51/654081651.db2.gz VHCZQEHYZVGDFS-LBPRGKRZSA-N 1 0 378.416 2.441 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)CCC[NH+]1CCCC1 ZINC000798958087 654081818 /nfs/dbraw/zinc/08/18/18/654081818.db2.gz LYFQFQXXBXRNDT-HNNXBMFYSA-N 1 0 388.965 2.122 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(Br)o1 ZINC000850590879 654084434 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Cn1ncc(Br)c1COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000869501490 654100749 /nfs/dbraw/zinc/10/07/49/654100749.db2.gz ZOVVDXQHDKUSTC-UHFFFAOYSA-N 1 0 386.290 2.261 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000916666484 654104037 /nfs/dbraw/zinc/10/40/37/654104037.db2.gz OBFFGYBCPXCWTC-KGLIPLIRSA-N 1 0 378.416 2.299 20 0 GEADRO O=C(Nc1nc2ccc(Cl)nc2s1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000888795471 654105511 /nfs/dbraw/zinc/10/55/11/654105511.db2.gz JKTLWKJBHPYMIG-NSHDSACASA-N 1 0 381.889 2.408 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1F ZINC000916801201 654108424 /nfs/dbraw/zinc/10/84/24/654108424.db2.gz OTVZATPYESWYBM-AOOOYVTPSA-N 1 0 395.294 2.215 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000901103123 654108828 /nfs/dbraw/zinc/10/88/28/654108828.db2.gz BHIYSPFYTKBTIO-RISCZKNCSA-N 1 0 385.295 2.061 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4ncc(Br)cn4n3)CC[C@@H]21 ZINC000901106561 654109240 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GEADRO COc1cc(Br)cc(CNC(=O)CCN2CC[NH+](C(C)C)CC2)c1 ZINC000830418710 654115892 /nfs/dbraw/zinc/11/58/92/654115892.db2.gz NPBOUQRKRQICLJ-UHFFFAOYSA-N 1 0 398.345 2.490 20 0 GEADRO CC(C)C[C@H](NC(=O)c1ccnc(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000901229784 654116084 /nfs/dbraw/zinc/11/60/84/654116084.db2.gz JPISZTYFIWUMAH-LBPRGKRZSA-N 1 0 375.300 2.211 20 0 GEADRO C[C@@H](CCNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)[NH+](C)C ZINC000917236830 654117474 /nfs/dbraw/zinc/11/74/74/654117474.db2.gz FBDMRHWJLVVDIF-BSNNYGBQSA-N 1 0 387.449 2.208 20 0 GEADRO CN1CCN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC[N@H+](C)CC1 ZINC000888982186 654117839 /nfs/dbraw/zinc/11/78/39/654117839.db2.gz ICSNHLJQHDUYTR-UHFFFAOYSA-N 1 0 397.292 2.389 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000901287595 654118927 /nfs/dbraw/zinc/11/89/27/654118927.db2.gz RFNHPAIPRRDKFM-UHFFFAOYSA-N 1 0 385.295 2.205 20 0 GEADRO Cc1cc(CCC(=O)N2CCN(C)CC[N@@H+](C)CC2)ccc1Br ZINC000888989218 654119224 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2.330 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1cc(F)ccc1OC(F)F ZINC000917704323 654131612 /nfs/dbraw/zinc/13/16/12/654131612.db2.gz INWMSFKJBDLKKR-INIZCTEOSA-N 1 0 378.416 2.332 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000889219983 654132998 /nfs/dbraw/zinc/13/29/98/654132998.db2.gz HULGNXISGFUWPB-UHFFFAOYSA-N 1 0 391.269 2.220 20 0 GEADRO O=C(NC1CC[NH+](CCO)CC1)N1CC(Cc2cccc(Br)c2)C1 ZINC000917841913 654135477 /nfs/dbraw/zinc/13/54/77/654135477.db2.gz CXFRVQOWSWGKLB-UHFFFAOYSA-N 1 0 396.329 2.090 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000800312424 654140380 /nfs/dbraw/zinc/14/03/80/654140380.db2.gz DKXMQFFCXFRWHO-CMDGGOBGSA-N 1 0 377.286 2.492 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1nnnn1-c1ccccc1 ZINC000901727041 654143637 /nfs/dbraw/zinc/14/36/37/654143637.db2.gz CJTGDQYISPHLGK-NEPJUHHUSA-N 1 0 388.273 2.287 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NCc1ccccc1 ZINC000901727447 654143647 /nfs/dbraw/zinc/14/36/47/654143647.db2.gz HERLGDARPOREAI-TZMCWYRMSA-N 1 0 377.286 2.255 20 0 GEADRO COCCS(=O)(=O)CCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000800396555 654143753 /nfs/dbraw/zinc/14/37/53/654143753.db2.gz YCQLHGSZPWKLCA-CQSZACIVSA-N 1 0 392.315 2.314 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000889512963 654145884 /nfs/dbraw/zinc/14/58/84/654145884.db2.gz URXICAVBPQYSFX-GFCCVEGCSA-N 1 0 393.285 2.081 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000889512964 654145920 /nfs/dbraw/zinc/14/59/20/654145920.db2.gz URXICAVBPQYSFX-LBPRGKRZSA-N 1 0 393.285 2.081 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000918394515 654150289 /nfs/dbraw/zinc/15/02/89/654150289.db2.gz IAHFEHTZOKUMJV-GFCCVEGCSA-N 1 0 378.523 2.139 20 0 GEADRO O=C(NC[C@@H]1CCCN1CC(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000830943863 654151329 /nfs/dbraw/zinc/15/13/29/654151329.db2.gz GXGOTXWTELMDGS-LSDHHAIUSA-N 1 0 379.492 2.347 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCCOC2CCSCC2)C1 ZINC000901876448 654152862 /nfs/dbraw/zinc/15/28/62/654152862.db2.gz PHDFSCUTEBCAJG-KRWDZBQOSA-N 1 0 390.615 2.105 20 0 GEADRO O=C1N[C@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@@H]2CO1 ZINC000830959433 654153409 /nfs/dbraw/zinc/15/34/09/654153409.db2.gz IYQGSCGAYHJVOR-ZETOZRRWSA-N 1 0 375.252 2.163 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000870254291 654154826 /nfs/dbraw/zinc/15/48/26/654154826.db2.gz WSMFLJAKOSRDMM-AWEZNQCLSA-N 1 0 395.253 2.412 20 0 GEADRO CC(=O)NCCN(Cc1ccc(C)s1)C(=S)NCC1CC[NH+](C)CC1 ZINC000800819359 654158732 /nfs/dbraw/zinc/15/87/32/654158732.db2.gz KTRMTIIETGASFE-UHFFFAOYSA-N 1 0 382.599 2.211 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000918745524 654161192 /nfs/dbraw/zinc/16/11/92/654161192.db2.gz GKPILLYRQRVUSZ-GFCCVEGCSA-N 1 0 387.571 2.486 20 0 GEADRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ncc(Br)cn2)CC1 ZINC000889716544 654162010 /nfs/dbraw/zinc/16/20/10/654162010.db2.gz JSKYGHLBETXKHU-UHFFFAOYSA-N 1 0 390.285 2.475 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C1 ZINC000918957791 654166604 /nfs/dbraw/zinc/16/66/04/654166604.db2.gz XPYKUEGWGRBTSM-HNNXBMFYSA-N 1 0 389.930 2.027 20 0 GEADRO C[C@]1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1(Br)Br ZINC000851636098 654166764 /nfs/dbraw/zinc/16/67/64/654166764.db2.gz SOJJJWVMMCCIDU-QFOLPQNPSA-N 1 0 380.124 2.468 20 0 GEADRO COC[C@]1(CNC(=O)C(F)(F)c2ccc(Br)cc2)CCC[NH2+]1 ZINC000851637022 654166991 /nfs/dbraw/zinc/16/69/91/654166991.db2.gz VXWYXCXVBMBKOS-CQSZACIVSA-N 1 0 377.229 2.426 20 0 GEADRO Cn1cc(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(Br)n1 ZINC000918979240 654167173 /nfs/dbraw/zinc/16/71/73/654167173.db2.gz GIIKRVMQHBVMTD-UHFFFAOYSA-N 1 0 398.280 2.383 20 0 GEADRO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC000889750568 654167168 /nfs/dbraw/zinc/16/71/68/654167168.db2.gz PQGVENBAWGUOKH-ZIAGYGMSSA-N 1 0 399.333 2.072 20 0 GEADRO C[C@]12CCN(C(=O)NC3CC[NH2+]CC3)C[C@H]1C2(Br)Br ZINC000851661143 654168197 /nfs/dbraw/zinc/16/81/97/654168197.db2.gz FTFAVSHCNXXVOC-PWSUYJOCSA-N 1 0 395.139 2.276 20 0 GEADRO C[NH2+]Cc1ccccc1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000851669860 654168534 /nfs/dbraw/zinc/16/85/34/654168534.db2.gz VUBSJJWTIUPKII-UHFFFAOYSA-N 1 0 378.274 2.090 20 0 GEADRO O=C(c1ccc(C(F)(F)F)nc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889762344 654170056 /nfs/dbraw/zinc/17/00/56/654170056.db2.gz JFGCNPBFCLZPFM-NEPJUHHUSA-N 1 0 377.794 2.425 20 0 GEADRO C[C@]1(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1(Cl)Cl ZINC000851728458 654172733 /nfs/dbraw/zinc/17/27/33/654172733.db2.gz NSHBZJWWPVACQJ-MRXNPFEDSA-N 1 0 376.328 2.006 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000851736410 654173266 /nfs/dbraw/zinc/17/32/66/654173266.db2.gz KKSDLIUONNLCNV-YVSFHVDLSA-N 1 0 378.450 2.145 20 0 GEADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC1(Br)CC1 ZINC000902338374 654174952 /nfs/dbraw/zinc/17/49/52/654174952.db2.gz QIBYGKFETJXFEF-KRWDZBQOSA-N 1 0 378.270 2.110 20 0 GEADRO COCC[NH+]1CCC(OC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000870461431 654175538 /nfs/dbraw/zinc/17/55/38/654175538.db2.gz HDSPFLADTVBGEN-UHFFFAOYSA-N 1 0 382.258 2.364 20 0 GEADRO [NH3+]CCCCCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000831281562 654176417 /nfs/dbraw/zinc/17/64/17/654176417.db2.gz UQQPFGOLNHFWIO-OAHLLOKOSA-N 1 0 397.317 2.151 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2ncc(CC)s2)CC1 ZINC000851785730 654177437 /nfs/dbraw/zinc/17/74/37/654177437.db2.gz RTVRTRNYXQEYML-AWEZNQCLSA-N 1 0 377.447 2.412 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000801098435 654177675 /nfs/dbraw/zinc/17/76/75/654177675.db2.gz QRIIOXDDXCERAT-UHFFFAOYSA-N 1 0 387.322 2.064 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000919405099 654179268 /nfs/dbraw/zinc/17/92/68/654179268.db2.gz YJCXPVBMHDOFKD-GXTWGEPZSA-N 1 0 381.464 2.177 20 0 GEADRO CC(C)[C@H](C[NH+](C)C)OC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000870569150 654181648 /nfs/dbraw/zinc/18/16/48/654181648.db2.gz NODUNJAVFCKECR-INIZCTEOSA-N 1 0 388.917 2.477 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC([NH2+]C2CCC2)CC1 ZINC000889833843 654182178 /nfs/dbraw/zinc/18/21/78/654182178.db2.gz NCODBONBZADSDW-UHFFFAOYSA-N 1 0 378.466 2.491 20 0 GEADRO CS[C@@H]1CN(C(=O)c2c(C)nn(C)c2Br)C[C@@H]1[NH+]1CCCC1 ZINC000801192801 654182188 /nfs/dbraw/zinc/18/21/88/654182188.db2.gz VVLPFMUSAYGKOC-NWDGAFQWSA-N 1 0 387.347 2.143 20 0 GEADRO CC(C)C[C@H]1C[N@H+](C)CCN1Cn1nc(Br)nc1Br ZINC000902541576 654182379 /nfs/dbraw/zinc/18/23/79/654182379.db2.gz HCQMBCFHAXNTPC-JTQLQIEISA-N 1 0 395.143 2.423 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cccc(F)c2Br)CC1 ZINC000889843132 654182611 /nfs/dbraw/zinc/18/26/11/654182611.db2.gz DTFFAFRBSCTRJS-UHFFFAOYSA-N 1 0 386.265 2.327 20 0 GEADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cc(F)c2OC)C1 ZINC000851820645 654183296 /nfs/dbraw/zinc/18/32/96/654183296.db2.gz DMJGLVUFIMHBEN-NSHDSACASA-N 1 0 395.294 2.359 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cn1ncc2c1cccc2Br ZINC000902642833 654190022 /nfs/dbraw/zinc/19/00/22/654190022.db2.gz JBJLMNJMLZNTII-IAGOWNOFSA-N 1 0 379.302 2.287 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1CC[NH+](CCCCO)CC1 ZINC000851848661 654191105 /nfs/dbraw/zinc/19/11/05/654191105.db2.gz MHEBULXRCCCQRE-INIZCTEOSA-N 1 0 385.302 2.053 20 0 GEADRO C[NH+](C)C1(C(=O)NCCOc2ccc(I)cc2)CCC1 ZINC000801320732 654192390 /nfs/dbraw/zinc/19/23/90/654192390.db2.gz WYHGQIFLKGETSR-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1Cl ZINC000919837379 654193728 /nfs/dbraw/zinc/19/37/28/654193728.db2.gz WWZRBLHMNDEXPT-NEPJUHHUSA-N 1 0 387.889 2.376 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000851866180 654195099 /nfs/dbraw/zinc/19/50/99/654195099.db2.gz JAPSPPWVVQNCPS-AWEZNQCLSA-N 1 0 377.447 2.466 20 0 GEADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000851881277 654199250 /nfs/dbraw/zinc/19/92/50/654199250.db2.gz YBWMLGDVWIQIIC-GFCCVEGCSA-N 1 0 391.896 2.138 20 0 GEADRO CCOC(=O)Cc1csc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)n1 ZINC000870860093 654200505 /nfs/dbraw/zinc/20/05/05/654200505.db2.gz PHPCPBCJCKLHOA-UHFFFAOYSA-N 1 0 380.495 2.425 20 0 GEADRO CCO[C@H](CNC(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12)C[NH+](C)C ZINC000831696461 654200769 /nfs/dbraw/zinc/20/07/69/654200769.db2.gz YLDNYUHTYQHIAE-XLNGHYISSA-N 1 0 381.314 2.418 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(Cc2cscn2)CC1)c1cccc(Br)c1 ZINC000870872252 654201578 /nfs/dbraw/zinc/20/15/78/654201578.db2.gz NVWCNCRDCMQIIX-HNNXBMFYSA-N 1 0 395.326 2.250 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCc2ccc(I)s2)C1 ZINC000870878370 654201972 /nfs/dbraw/zinc/20/19/72/654201972.db2.gz BNBBGBDJUBUWCO-IGJMFERPSA-N 1 0 376.263 2.139 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)o1 ZINC000851894560 654202181 /nfs/dbraw/zinc/20/21/81/654202181.db2.gz KNUBYPGLDWISEL-LBPRGKRZSA-N 1 0 377.304 2.442 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)c1cccs1 ZINC000902887042 654202319 /nfs/dbraw/zinc/20/23/19/654202319.db2.gz XVWWBHBMKPNMKW-GVDBMIGSSA-N 1 0 387.567 2.458 20 0 GEADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC[NH2+]1 ZINC000851898674 654203288 /nfs/dbraw/zinc/20/32/88/654203288.db2.gz WDVZIGPTLRSZQK-NSHDSACASA-N 1 0 382.711 2.116 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000831736053 654204852 /nfs/dbraw/zinc/20/48/52/654204852.db2.gz WPEICVVKOPTUHW-QWHCGFSZSA-N 1 0 377.539 2.143 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000831736054 654204869 /nfs/dbraw/zinc/20/48/69/654204869.db2.gz WPEICVVKOPTUHW-STQMWFEESA-N 1 0 377.539 2.143 20 0 GEADRO C[N@@H+]1CC[C@H](CC(=O)N2CCn3c(c(Br)nc3C(F)(F)F)C2)C1 ZINC000890200110 654206005 /nfs/dbraw/zinc/20/60/05/654206005.db2.gz DVZLFVABKRNURB-SECBINFHSA-N 1 0 395.223 2.348 20 0 GEADRO CCO[C@@H](CNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)C[NH+](C)C 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OSZOQUUZUUDEBQ-JHNDHUHGSA-N 1 0 390.908 2.237 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)C2=O)ccc1Br ZINC000870926969 654208325 /nfs/dbraw/zinc/20/83/25/654208325.db2.gz IKSVLBVTEWRIKB-IPTNHLRFSA-N 1 0 392.297 2.106 20 0 GEADRO CCS(=O)(=O)NC1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000903005803 654208663 /nfs/dbraw/zinc/20/86/63/654208663.db2.gz AZUVOUGYMZLTMD-UHFFFAOYSA-N 1 0 380.432 2.488 20 0 GEADRO CC(=O)N[C@@H](C(=O)NCC1([NH3+])CCCCC1)c1cccc(Br)c1 ZINC000870933630 654208812 /nfs/dbraw/zinc/20/88/12/654208812.db2.gz RVUJYDNOXHNIGF-OAHLLOKOSA-N 1 0 382.302 2.404 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920283165 654209064 /nfs/dbraw/zinc/20/90/64/654209064.db2.gz WORBVVLBBPUFCJ-LMSBXDPUSA-N 1 0 386.945 2.406 20 0 GEADRO Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920281882 654209070 /nfs/dbraw/zinc/20/90/70/654209070.db2.gz IHGZUBVTVIGCGY-LMSBXDPUSA-N 1 0 386.945 2.406 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1cccc(Br)c1 ZINC000870936657 654209302 /nfs/dbraw/zinc/20/93/02/654209302.db2.gz AIPYJQUNJTWCFK-HOTGVXAUSA-N 1 0 384.318 2.458 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000870937287 654209570 /nfs/dbraw/zinc/20/95/70/654209570.db2.gz YPFBJFZOKCKMDL-QWRGUYRKSA-N 1 0 388.249 2.499 20 0 GEADRO NC(=O)[C@@](O)(C[N@@H+]1CCc2cc(Br)ccc2C1)c1ccccc1 ZINC000851978138 654210221 /nfs/dbraw/zinc/21/02/21/654210221.db2.gz IJEOVOJUHAOFIF-GOSISDBHSA-N 1 0 375.266 2.180 20 0 GEADRO OCC1(Cc2ccccc2)CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000851990408 654211074 /nfs/dbraw/zinc/21/10/74/654211074.db2.gz RYTCULARWWINRN-UHFFFAOYSA-N 1 0 379.302 2.358 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC000852001734 654211560 /nfs/dbraw/zinc/21/15/60/654211560.db2.gz JRFONTRBQIATHA-YGCGCYASSA-N 1 0 385.496 2.353 20 0 GEADRO O=C1C[C@@H](C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CN1 ZINC000852004714 654212234 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C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903061094 654214446 /nfs/dbraw/zinc/21/44/46/654214446.db2.gz ABTIJEBIQADCKC-QWRGUYRKSA-N 1 0 385.429 2.065 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)cc2c1OCCO2 ZINC000870973218 654214865 /nfs/dbraw/zinc/21/48/65/654214865.db2.gz NYEYFWFPQCMFGI-LMKPVCQUSA-N 1 0 381.270 2.481 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903069663 654214828 /nfs/dbraw/zinc/21/48/28/654214828.db2.gz YCPYXAOAEBNPNM-QWHCGFSZSA-N 1 0 380.432 2.351 20 0 GEADRO C[C@@H](NC(=O)c1cccn2c(I)cnc12)C1CC[NH2+]CC1 ZINC000870986438 654215245 /nfs/dbraw/zinc/21/52/45/654215245.db2.gz QNHZKRFZFPHJHY-SNVBAGLBSA-N 1 0 398.248 2.057 20 0 GEADRO CC[NH+](CC)CCn1ccc2cc(NS(=O)(=O)N=S(C)(C)=O)ccc21 ZINC000903084712 654215159 /nfs/dbraw/zinc/21/51/59/654215159.db2.gz HWBKHLXBCIOLDN-UHFFFAOYSA-N 1 0 386.543 2.367 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000852084919 654217338 /nfs/dbraw/zinc/21/73/38/654217338.db2.gz ZVUFQEHVLUFUQT-KOLCDFICSA-N 1 0 382.195 2.474 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000852126783 654219867 /nfs/dbraw/zinc/21/98/67/654219867.db2.gz HKGZQIUOLOTWKP-SWLSCSKDSA-N 1 0 376.284 2.047 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000852142960 654220676 /nfs/dbraw/zinc/22/06/76/654220676.db2.gz FWJGZRPQMXTCAG-CHWSQXEVSA-N 1 0 376.356 2.387 20 0 GEADRO Ic1ccc(OCC[NH2+][C@@H]2CCO[C@]23CCOC3)cc1 ZINC000903166090 654223447 /nfs/dbraw/zinc/22/34/47/654223447.db2.gz QOEINWCZILVIBM-CABCVRRESA-N 1 0 389.233 2.208 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903170866 654223875 /nfs/dbraw/zinc/22/38/75/654223875.db2.gz KMQHIYPNNULBQY-NEPJUHHUSA-N 1 0 399.456 2.456 20 0 GEADRO OC[C@H](C[NH2+][C@H]1CCO[C@@]12CCOC2)Cc1ccc(F)c(Br)c1 ZINC000903187223 654224989 /nfs/dbraw/zinc/22/49/89/654224989.db2.gz SGPOQWPUKGSXHM-RRQGHBQHSA-N 1 0 388.277 2.277 20 0 GEADRO C[C@H](CCc1cncc2ccccc21)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903227453 654228878 /nfs/dbraw/zinc/22/88/78/654228878.db2.gz VILHNUAKMAGXLN-CQSZACIVSA-N 1 0 383.539 2.203 20 0 GEADRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903228398 654229428 /nfs/dbraw/zinc/22/94/28/654229428.db2.gz ZEKUAFWHOWULED-NSHDSACASA-N 1 0 386.461 2.283 20 0 GEADRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCn2ncc(Br)c2C1 ZINC000852281989 654229709 /nfs/dbraw/zinc/22/97/09/654229709.db2.gz LTDXXRYHTBLQBZ-UHFFFAOYSA-N 1 0 382.306 2.045 20 0 GEADRO O=C1CCC2=C(CC[N@@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)N1 ZINC000852297814 654230654 /nfs/dbraw/zinc/23/06/54/654230654.db2.gz NSHPBSKHGSQPKP-CQSZACIVSA-N 1 0 399.260 2.198 20 0 GEADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000903235187 654231112 /nfs/dbraw/zinc/23/11/12/654231112.db2.gz TUDDMZCRXNSAKN-CFVMTHIKSA-N 1 0 389.587 2.399 20 0 GEADRO CCOC(=O)[C@]1(F)C[N@H+](C[C@H](O)P(=O)(OCC)OCC)CC12CCC2 ZINC000852317205 654231626 /nfs/dbraw/zinc/23/16/26/654231626.db2.gz LEGZYAZXVRFGRZ-CZUORRHYSA-N 1 0 381.381 2.328 20 0 GEADRO C[C@]12CC[N@H+](CC[C@@H]3CCNC3=O)C[C@H]1C2(Br)Br ZINC000852334806 654233012 /nfs/dbraw/zinc/23/30/12/654233012.db2.gz AYPBSQMXQRMMPC-UMNHJUIQSA-N 1 0 380.124 2.341 20 0 GEADRO CSc1cccc(N(C(=O)[C@@H]2CSCC(=O)N2)C2CC[NH+](C)CC2)c1 ZINC000903307084 654233407 /nfs/dbraw/zinc/23/34/07/654233407.db2.gz SLCCRAKRQVOODV-INIZCTEOSA-N 1 0 379.551 2.067 20 0 GEADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000903324693 654234303 /nfs/dbraw/zinc/23/43/03/654234303.db2.gz INAVBIXMGUFVGU-GXTWGEPZSA-N 1 0 376.258 2.108 20 0 GEADRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903345205 654234766 /nfs/dbraw/zinc/23/47/66/654234766.db2.gz YTAJRCNAMSYBQG-ZFWWWQNUSA-N 1 0 376.469 2.444 20 0 GEADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000852349330 654234960 /nfs/dbraw/zinc/23/49/60/654234960.db2.gz GIFRWIAUXSLNLP-YSVLISHTSA-N 1 0 375.918 2.269 20 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/nfs/dbraw/zinc/23/75/50/654237550.db2.gz YUCGADZPKKJDAB-DYVFJYSZSA-N 1 0 388.917 2.159 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000852414983 654238021 /nfs/dbraw/zinc/23/80/21/654238021.db2.gz XKIPYMGNTHOQOH-GZBFAFLISA-N 1 0 392.677 2.230 20 0 GEADRO O=c1ccn(CCC[NH2+][C@@H]2CCCc3ncc(Br)cc32)c(=O)[nH]1 ZINC000903430675 654239082 /nfs/dbraw/zinc/23/90/82/654239082.db2.gz ZAVCKCFFIACMJU-CYBMUJFWSA-N 1 0 379.258 2.164 20 0 GEADRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000852432360 654239237 /nfs/dbraw/zinc/23/92/37/654239237.db2.gz YUQCBWAILIGFBV-RYUDHWBXSA-N 1 0 375.252 2.260 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903465252 654239994 /nfs/dbraw/zinc/23/99/94/654239994.db2.gz GGORZYDDZAQHTG-CQSZACIVSA-N 1 0 399.276 2.412 20 0 GEADRO COC(=O)c1cncc([C@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000903479166 654240389 /nfs/dbraw/zinc/24/03/89/654240389.db2.gz JQXSQOUZLFLLFY-GXFFZTMASA-N 1 0 379.258 2.493 20 0 GEADRO O=S(=O)(CCN[C@H]1CC[NH2+]C12CCCC2)c1ccc(Br)cc1 ZINC000903486978 654240769 /nfs/dbraw/zinc/24/07/69/654240769.db2.gz ZIVSPNJULDCVAN-HNNXBMFYSA-N 1 0 387.343 2.487 20 0 GEADRO O=S(=O)(CCN[C@@H]1CC[NH2+]C12CCCC2)c1cccc(Br)c1 ZINC000903483133 654240782 /nfs/dbraw/zinc/24/07/82/654240782.db2.gz DXIILPJTCMFIQG-OAHLLOKOSA-N 1 0 387.343 2.487 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@](C)(C[NH3+])C(C)C ZINC000903491644 654241120 /nfs/dbraw/zinc/24/11/20/654241120.db2.gz UNLFIWBBRLLPGL-CQSZACIVSA-N 1 0 382.404 2.144 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C)cc1Br ZINC000903493613 654241527 /nfs/dbraw/zinc/24/15/27/654241527.db2.gz RVRVLTKFUSRQMV-AWEZNQCLSA-N 1 0 395.319 2.118 20 0 GEADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903504885 654242361 /nfs/dbraw/zinc/24/23/61/654242361.db2.gz YNOIUFMRXFIIJX-HNNXBMFYSA-N 1 0 384.299 2.447 20 0 GEADRO CCOc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c2ncccc12 ZINC000903510658 654243721 /nfs/dbraw/zinc/24/37/21/654243721.db2.gz ZCKYXNBROLXQBK-CYBMUJFWSA-N 1 0 377.388 2.144 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC[C@@H]1C(F)(F)F ZINC000903512094 654243903 /nfs/dbraw/zinc/24/39/03/654243903.db2.gz JZUGALOOXPJTCQ-KWQFWETISA-N 1 0 396.822 2.364 20 0 GEADRO CCS(=O)(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473657 654244023 /nfs/dbraw/zinc/24/40/23/654244023.db2.gz PFPRRYHICCGCQB-KGLIPLIRSA-N 1 0 384.464 2.077 20 0 GEADRO CCS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852473658 654244252 /nfs/dbraw/zinc/24/42/52/654244252.db2.gz PFPRRYHICCGCQB-UONOGXRCSA-N 1 0 384.464 2.077 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000903513022 654244414 /nfs/dbraw/zinc/24/44/14/654244414.db2.gz NVCIGWZXEFDKQY-UHFFFAOYSA-N 1 0 379.295 2.349 20 0 GEADRO CO[C@@H]1CC[C@@H]([NH+]2CCC(n3nncc3I)CC2)C1 ZINC000852532591 654246472 /nfs/dbraw/zinc/24/64/72/654246472.db2.gz NAGAHGRCMRCVKU-VXGBXAGGSA-N 1 0 376.242 2.087 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC(C)([NH3+])CC2)c1F ZINC000903517788 654246503 /nfs/dbraw/zinc/24/65/03/654246503.db2.gz LSHYJUFANALORU-UHFFFAOYSA-N 1 0 381.267 2.099 20 0 GEADRO CO[C@H]1CC[C@H]([NH+]2CCC(n3nncc3I)CC2)C1 ZINC000852532590 654246701 /nfs/dbraw/zinc/24/67/01/654246701.db2.gz NAGAHGRCMRCVKU-RYUDHWBXSA-N 1 0 376.242 2.087 20 0 GEADRO O=S(=O)(Cc1cccc(Cl)c1Br)NCC1=CC[NH2+]CC1 ZINC000903518403 654246859 /nfs/dbraw/zinc/24/68/59/654246859.db2.gz MRVMCKLNFCJEMO-UHFFFAOYSA-N 1 0 379.707 2.442 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2c(Br)ccc(OC)c2F)CC[C@@H]1[NH3+] ZINC000903518514 654246907 /nfs/dbraw/zinc/24/69/07/654246907.db2.gz QXYQYEBTLBVVJB-KOLCDFICSA-N 1 0 395.294 2.345 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000890882187 654247138 /nfs/dbraw/zinc/24/71/38/654247138.db2.gz RBYNYENAEFBIMB-UHFFFAOYSA-N 1 0 376.469 2.484 20 0 GEADRO COC(=O)N(C)CCN(C)CC(=O)N(C)Cc1ccccc1Br ZINC000852573409 654247971 /nfs/dbraw/zinc/24/79/71/654247971.db2.gz KNARZWKCGNNWML-UHFFFAOYSA-N 1 0 386.290 2.038 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1F ZINC000903525131 654249395 /nfs/dbraw/zinc/24/93/95/654249395.db2.gz AGOPGNKNYCRUPE-QWRGUYRKSA-N 1 0 393.278 2.112 20 0 GEADRO CS(=O)(=O)c1ccc(OCCCN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903534329 654250672 /nfs/dbraw/zinc/25/06/72/654250672.db2.gz FOGIEOPWRUBMRP-GJZGRUSLSA-N 1 0 380.432 2.071 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c1F ZINC000903531016 654250692 /nfs/dbraw/zinc/25/06/92/654250692.db2.gz GNDHATRSYACDDZ-QFYYESIMSA-N 1 0 390.864 2.158 20 0 GEADRO CS(=O)(=O)c1ccc(OCCCN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903534328 654250784 /nfs/dbraw/zinc/25/07/84/654250784.db2.gz FOGIEOPWRUBMRP-CABCVRRESA-N 1 0 380.432 2.071 20 0 GEADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1Cc1scnc1Cl ZINC000871668491 654250915 /nfs/dbraw/zinc/25/09/15/654250915.db2.gz ZPIDAFXKCBOHHI-KRWDZBQOSA-N 1 0 376.869 2.493 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000903538060 654251511 /nfs/dbraw/zinc/25/15/11/654251511.db2.gz MHTLLZANRYLOCE-UHFFFAOYSA-N 1 0 397.722 2.231 20 0 GEADRO FC(F)(F)c1cc(Cl)nc(CNC(=S)NCCCN2CCOCC2)c1 ZINC000871682968 654251574 /nfs/dbraw/zinc/25/15/74/654251574.db2.gz GKEXVBFTSNPVLX-UHFFFAOYSA-N 1 0 396.866 2.440 20 0 GEADRO C[C@]12CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)C[C@H]1C2(Br)Br ZINC000852901774 654266496 /nfs/dbraw/zinc/26/64/96/654266496.db2.gz RAAZDZZLQLNNBO-VCDKRKBESA-N 1 0 392.135 2.341 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000832243710 654252139 /nfs/dbraw/zinc/25/21/39/654252139.db2.gz XOWAVMFBJVPNJV-UHFFFAOYSA-N 1 0 385.555 2.185 20 0 GEADRO O=S(=O)(c1cscc1Br)N1CC[NH2+]CCC12CCOCC2 ZINC000903549677 654254158 /nfs/dbraw/zinc/25/41/58/654254158.db2.gz OQQKXTQFKVGGFC-UHFFFAOYSA-N 1 0 395.344 2.044 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)ccc1Br ZINC000903548621 654254164 /nfs/dbraw/zinc/25/41/64/654254164.db2.gz KXOIBGIIXXQKGW-ZYHUDNBSSA-N 1 0 389.315 2.176 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])c(Br)c1 ZINC000903550400 654254403 /nfs/dbraw/zinc/25/44/03/654254403.db2.gz QDEICOHHHWVSEU-GDBMZVCRSA-N 1 0 397.294 2.361 20 0 GEADRO C[C@]12CCN(C(=O)[C@H]3CCCC[NH2+]3)C[C@H]1C2(Br)Br ZINC000852901840 654266576 /nfs/dbraw/zinc/26/65/76/654266576.db2.gz SSSDJMJNZOQLHS-FOGDFJRCSA-N 1 0 380.124 2.483 20 0 GEADRO Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1Cl ZINC000903560928 654256091 /nfs/dbraw/zinc/25/60/91/654256091.db2.gz AAJYLKHUCCVFNW-IYBDPMFKSA-N 1 0 383.945 2.238 20 0 GEADRO Cn1ncc(S(=O)(=O)NCCCCCC2CC[NH2+]CC2)c1Br ZINC000903561949 654256124 /nfs/dbraw/zinc/25/61/24/654256124.db2.gz RZOLCJQIGRZNCN-UHFFFAOYSA-N 1 0 393.351 2.021 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)cc21 ZINC000903562703 654256750 /nfs/dbraw/zinc/25/67/50/654256750.db2.gz IMBWKMLSHUZJTJ-BIGNPOOSSA-N 1 0 384.299 2.112 20 0 GEADRO O=S(=O)(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1Cl ZINC000903573152 654258743 /nfs/dbraw/zinc/25/87/43/654258743.db2.gz GHAKEOAEUICJQI-GUYCJALGSA-N 1 0 379.869 2.269 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)nc1 ZINC000903573525 654258787 /nfs/dbraw/zinc/25/87/87/654258787.db2.gz JYKUAKHGMCNUAS-RHSMWYFYSA-N 1 0 379.869 2.269 20 0 GEADRO Cc1nc(S(=O)(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000903574762 654259122 /nfs/dbraw/zinc/25/91/22/654259122.db2.gz XMASOWFRFPGBQH-WMLDXEAASA-N 1 0 379.507 2.294 20 0 GEADRO Cc1nc(S(=O)(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000903574760 654259323 /nfs/dbraw/zinc/25/93/23/654259323.db2.gz XMASOWFRFPGBQH-PBHICJAKSA-N 1 0 379.507 2.294 20 0 GEADRO CC(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903577989 654260406 /nfs/dbraw/zinc/26/04/06/654260406.db2.gz AHBLXRDLLLFATC-ZIAGYGMSSA-N 1 0 378.416 2.426 20 0 GEADRO CS(=O)(=O)CCOc1cccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000852800316 654260728 /nfs/dbraw/zinc/26/07/28/654260728.db2.gz NLWZBJRRANLSOD-UHFFFAOYSA-N 1 0 380.491 2.070 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)=NO1 ZINC000852815880 654261168 /nfs/dbraw/zinc/26/11/68/654261168.db2.gz CWSSPOLPVXVULF-TZMCWYRMSA-N 1 0 385.251 2.027 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000903579711 654261357 /nfs/dbraw/zinc/26/13/57/654261357.db2.gz PEFPHBMRIOIKBY-IUCAKERBSA-N 1 0 392.321 2.485 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)CC[C@@H]1C(F)(F)F ZINC000903580160 654261416 /nfs/dbraw/zinc/26/14/16/654261416.db2.gz SIUHUOPFPZXGDU-RYUDHWBXSA-N 1 0 375.372 2.242 20 0 GEADRO O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000852818567 654261778 /nfs/dbraw/zinc/26/17/78/654261778.db2.gz LFBNIBADLHFMHN-HNNXBMFYSA-N 1 0 376.400 2.196 20 0 GEADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1C(F)(F)F ZINC000871810166 654261922 /nfs/dbraw/zinc/26/19/22/654261922.db2.gz KANHJITWEYOXPX-GFCCVEGCSA-N 1 0 378.416 2.142 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000871810956 654262386 /nfs/dbraw/zinc/26/23/86/654262386.db2.gz LSVKHWLPEOINJU-KWQFWETISA-N 1 0 392.321 2.343 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC000852836323 654262723 /nfs/dbraw/zinc/26/27/23/654262723.db2.gz TXOOWUZDQSEXDV-UHFFFAOYSA-N 1 0 387.322 2.241 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)=NO1 ZINC000852835676 654262858 /nfs/dbraw/zinc/26/28/58/654262858.db2.gz QYHMQMWQMCXIQV-XLKFXECMSA-N 1 0 376.215 2.136 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)Cc1cc(F)ccc1Br ZINC000903583826 654262856 /nfs/dbraw/zinc/26/28/56/654262856.db2.gz GYMPIDXLMFBJTO-BXUZGUMPSA-N 1 0 377.279 2.231 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000871811883 654262891 /nfs/dbraw/zinc/26/28/91/654262891.db2.gz SVYOXNIXIXKDGM-LDYMZIIASA-N 1 0 376.322 2.463 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)C[C@H]1C(F)(F)F ZINC000871813493 654263621 /nfs/dbraw/zinc/26/36/21/654263621.db2.gz SKDGJNORFOPVLM-TZMCWYRMSA-N 1 0 376.400 2.209 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH3+])CCCC2)c1 ZINC000852853066 654263784 /nfs/dbraw/zinc/26/37/84/654263784.db2.gz QVDXLPFXKOJWEO-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@@H]1C(F)(F)F ZINC000871814010 654263905 /nfs/dbraw/zinc/26/39/05/654263905.db2.gz NRFRYRLDPDLQPQ-IUCAKERBSA-N 1 0 392.321 2.343 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000871814078 654263971 /nfs/dbraw/zinc/26/39/71/654263971.db2.gz OUDDTMYBVXNAJJ-SKDRFNHKSA-N 1 0 388.358 2.088 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@@H]1C(F)(F)F ZINC000871814008 654264000 /nfs/dbraw/zinc/26/40/00/654264000.db2.gz NRFRYRLDPDLQPQ-BDAKNGLRSA-N 1 0 392.321 2.343 20 0 GEADRO CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C[C@@H]1[NH3+] ZINC000903587099 654264054 /nfs/dbraw/zinc/26/40/54/654264054.db2.gz PFWFMAKRBIQSSL-LRDDRELGSA-N 1 0 388.917 2.113 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2s1 ZINC000871814984 654264314 /nfs/dbraw/zinc/26/43/14/654264314.db2.gz YCUIZSHGZFUUQY-ONGXEEELSA-N 1 0 379.429 2.362 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc2s1 ZINC000871814982 654264418 /nfs/dbraw/zinc/26/44/18/654264418.db2.gz YCUIZSHGZFUUQY-KOLCDFICSA-N 1 0 379.429 2.362 20 0 GEADRO O=C(c1sccc1SC(F)F)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000832410635 654264726 /nfs/dbraw/zinc/26/47/26/654264726.db2.gz YQNJSDNCDLAALJ-NSHDSACASA-N 1 0 389.493 2.347 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)s1 ZINC000903589820 654264833 /nfs/dbraw/zinc/26/48/33/654264833.db2.gz YTQUHMXQIKKKQR-SNVBAGLBSA-N 1 0 384.454 2.000 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871816797 654265198 /nfs/dbraw/zinc/26/51/98/654265198.db2.gz LBGWOWSIDUKFOG-TZMCWYRMSA-N 1 0 393.278 2.160 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871818528 654265234 /nfs/dbraw/zinc/26/52/34/654265234.db2.gz HNYNILPEANFEKQ-KGLIPLIRSA-N 1 0 393.278 2.160 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000903592425 654265340 /nfs/dbraw/zinc/26/53/40/654265340.db2.gz DTNXQGLRLAHORY-OAHLLOKOSA-N 1 0 388.331 2.032 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)=NO1 ZINC000852897408 654266278 /nfs/dbraw/zinc/26/62/78/654266278.db2.gz PXCPKWHAGLSNJQ-SNVBAGLBSA-N 1 0 391.686 2.399 20 0 GEADRO CSCC[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000803219149 654268061 /nfs/dbraw/zinc/26/80/61/654268061.db2.gz BVIQXTSSEHJOOB-CABCVRRESA-N 1 0 383.583 2.334 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cccc(Br)n1)c1cccnc1 ZINC000921478603 654272586 /nfs/dbraw/zinc/27/25/86/654272586.db2.gz NWDPHTWGCACCMX-CYBMUJFWSA-N 1 0 399.314 2.210 20 0 GEADRO Cc1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(C)cc1I ZINC000921503433 654275580 /nfs/dbraw/zinc/27/55/80/654275580.db2.gz QUFRPDJCCPHLNL-GFCCVEGCSA-N 1 0 393.290 2.432 20 0 GEADRO CN(C)c1cccc2c1cccc2S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000853081429 654277748 /nfs/dbraw/zinc/27/77/48/654277748.db2.gz PUXJATZCYXWECA-HNNXBMFYSA-N 1 0 375.416 2.416 20 0 GEADRO CCCS(=O)(=O)CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000832585855 654279015 /nfs/dbraw/zinc/27/90/15/654279015.db2.gz VSXMKRUTVTUCAN-JKSUJKDBSA-N 1 0 378.460 2.431 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)c1ccccn1)Cc1ccc(F)c(Br)c1 ZINC000853108837 654279037 /nfs/dbraw/zinc/27/90/37/654279037.db2.gz CHQCXVSYDAMXIA-CXAGYDPISA-N 1 0 383.261 2.457 20 0 GEADRO O=C(NCCC[NH2+]C[C@H](O)c1ccccn1)c1cccc(Br)c1 ZINC000853097298 654279221 /nfs/dbraw/zinc/27/92/21/654279221.db2.gz BHYWLBDOPIFBRM-INIZCTEOSA-N 1 0 378.270 2.287 20 0 GEADRO O=C(N[C@@H]1CCOC2(CCSCC2)C1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921553341 654279951 /nfs/dbraw/zinc/27/99/51/654279951.db2.gz BNTGLRKKYPRWSP-BZUAXINKSA-N 1 0 385.599 2.310 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000832603154 654280243 /nfs/dbraw/zinc/28/02/43/654280243.db2.gz CXIOEDHBCRZFAU-NSHDSACASA-N 1 0 378.274 2.229 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717653 654281058 /nfs/dbraw/zinc/28/10/58/654281058.db2.gz CRMLEJHSCXAPIX-CQSZACIVSA-N 1 0 396.329 2.478 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCCN2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000903795816 654283882 /nfs/dbraw/zinc/28/38/82/654283882.db2.gz PCTBAJAPMAQWPF-YVEFUNNKSA-N 1 0 377.286 2.160 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2Cc1nnnn1-c1ccccc1Br ZINC000903800242 654283889 /nfs/dbraw/zinc/28/38/89/654283889.db2.gz VQMIFQUPRQWIHK-LRDDRELGSA-N 1 0 377.290 2.128 20 0 GEADRO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)C[C@@H](O)c1ccccc1Br ZINC000832680797 654287326 /nfs/dbraw/zinc/28/73/26/654287326.db2.gz WKSKLXFSKODFFD-SWLSCSKDSA-N 1 0 376.316 2.239 20 0 GEADRO O=C(CN1CCC[C@@]12CC[NH2+]C2)Nc1cccc(I)c1 ZINC000903865180 654288077 /nfs/dbraw/zinc/28/80/77/654288077.db2.gz YMKAHXGFRUWHDX-HNNXBMFYSA-N 1 0 385.249 2.058 20 0 GEADRO C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2c(cc1Br)OCCO2 ZINC000891394002 654291039 /nfs/dbraw/zinc/29/10/39/654291039.db2.gz FNRGPWLXAHBGBO-SDDRHHMPSA-N 1 0 396.285 2.427 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000832726483 654291165 /nfs/dbraw/zinc/29/11/65/654291165.db2.gz ZZPSUHOHYUGZCX-LBPRGKRZSA-N 1 0 380.539 2.418 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000891411255 654292149 /nfs/dbraw/zinc/29/21/49/654292149.db2.gz FALSSZGRSIQWQA-CQSZACIVSA-N 1 0 387.933 2.191 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(C)cc(Br)n1)[C@H]1CC[N@H+](C)C1 ZINC000832742561 654292387 /nfs/dbraw/zinc/29/23/87/654292387.db2.gz KDWYACTVVHUFSO-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000832755306 654293283 /nfs/dbraw/zinc/29/32/83/654293283.db2.gz GYOGTYJLEBLISJ-MRXNPFEDSA-N 1 0 387.933 2.228 20 0 GEADRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903970596 654293527 /nfs/dbraw/zinc/29/35/27/654293527.db2.gz ZVDSEGJSPZSGOE-XJKSGUPXSA-N 1 0 378.460 2.393 20 0 GEADRO COc1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)c(Br)c1O ZINC000903972449 654293579 /nfs/dbraw/zinc/29/35/79/654293579.db2.gz IXALOFPFWVQHGH-ZDUSSCGKSA-N 1 0 385.302 2.412 20 0 GEADRO Brc1ccc2ncc(CN[C@H]3C[NH2+]CC4(CCOCC4)C3)n2c1 ZINC000903972905 654293770 /nfs/dbraw/zinc/29/37/70/654293770.db2.gz MDDDCUZQOSDDDG-CQSZACIVSA-N 1 0 379.302 2.345 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000891472194 654295540 /nfs/dbraw/zinc/29/55/40/654295540.db2.gz NBLBONGMHUUAGB-UHFFFAOYSA-N 1 0 399.333 2.339 20 0 GEADRO CCOC(=O)c1ncc(Br)c(NC[C@H](c2ccco2)[NH+](C)C)n1 ZINC000891485980 654296746 /nfs/dbraw/zinc/29/67/46/654296746.db2.gz XHHSZSPXQHIAFF-LLVKDONJSA-N 1 0 383.246 2.146 20 0 GEADRO CCSc1ccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@@H]43)n2)cc1 ZINC000904112346 654302635 /nfs/dbraw/zinc/30/26/35/654302635.db2.gz DMAAXZGQLQPTLI-YUELXQCFSA-N 1 0 379.507 2.024 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000904119362 654302646 /nfs/dbraw/zinc/30/26/46/654302646.db2.gz SQRYKMWRNKVJEC-GFCCVEGCSA-N 1 0 379.258 2.475 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000804219454 654302945 /nfs/dbraw/zinc/30/29/45/654302945.db2.gz ZAWHNNZLXLFMIC-ZDUSSCGKSA-N 1 0 396.329 2.180 20 0 GEADRO O=C(NCC1C[NH+](C[C@@H](O)c2ccc(Br)cc2)C1)C(F)(F)F ZINC000871992395 654303903 /nfs/dbraw/zinc/30/39/03/654303903.db2.gz YQYVYJGRLRWEPT-GFCCVEGCSA-N 1 0 381.192 2.093 20 0 GEADRO O=c1ccn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c2c(Br)cccc12 ZINC000853557767 654304149 /nfs/dbraw/zinc/30/41/49/654304149.db2.gz MTBKLCGVKNXPBQ-WFASDCNBSA-N 1 0 390.281 2.322 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000891651495 654304883 /nfs/dbraw/zinc/30/48/83/654304883.db2.gz OEBRFGUBXRBYMX-APPZFPTMSA-N 1 0 376.770 2.033 20 0 GEADRO O=S1(=O)CCCN1CC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921689519 654304931 /nfs/dbraw/zinc/30/49/31/654304931.db2.gz FTDQYGDDBKIJSG-UHFFFAOYSA-N 1 0 390.278 2.195 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000833574656 654307632 /nfs/dbraw/zinc/30/76/32/654307632.db2.gz HQGCLUPLEVCSJQ-NSHDSACASA-N 1 0 379.498 2.272 20 0 GEADRO CC(C)(C)CC[C@H]([NH3+])CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000904341467 654307630 /nfs/dbraw/zinc/30/76/30/654307630.db2.gz RMCAMFTXHGIGSF-ZDUSSCGKSA-N 1 0 387.512 2.428 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000904335948 654307727 /nfs/dbraw/zinc/30/77/27/654307727.db2.gz KJOJQXSYAJRGAT-ZDUSSCGKSA-N 1 0 394.273 2.087 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000904322155 654307736 /nfs/dbraw/zinc/30/77/36/654307736.db2.gz QCMGMVLUJDMYLO-AWEZNQCLSA-N 1 0 384.933 2.345 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)c(Br)cc1F ZINC000904350633 654308208 /nfs/dbraw/zinc/30/82/08/654308208.db2.gz NVZOGCSRUBGTCT-GFCCVEGCSA-N 1 0 388.237 2.494 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)N2CC[NH2+]C[C@@H]2COC)cc1Cl ZINC000904402112 654309247 /nfs/dbraw/zinc/30/92/47/654309247.db2.gz MOQHFVNSIHKRQZ-GFCCVEGCSA-N 1 0 392.283 2.471 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(C)CC2(Cl)Cl)CC1=O ZINC000833833783 654309607 /nfs/dbraw/zinc/30/96/07/654309607.db2.gz OPGLFYIZTRAHSV-ZENOOKHLSA-N 1 0 376.328 2.019 20 0 GEADRO CN(C(=O)Nc1cnc(Cl)c(Br)c1)C1(C[NH3+])CCOCC1 ZINC000904418894 654309709 /nfs/dbraw/zinc/30/97/09/654309709.db2.gz HBAWQUAEHKEFNE-UHFFFAOYSA-N 1 0 377.670 2.469 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904417968 654309733 /nfs/dbraw/zinc/30/97/33/654309733.db2.gz QOOBSTYEHCEUTO-QJPTWQEYSA-N 1 0 377.246 2.044 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(I)ccc1C ZINC000904424974 654310189 /nfs/dbraw/zinc/31/01/89/654310189.db2.gz STUPIKIUFGKLFP-GFCCVEGCSA-N 1 0 389.237 2.052 20 0 GEADRO CN(C(=O)Nc1ccc2nccnc2c1Br)C1(C[NH3+])CCOCC1 ZINC000904471702 654312067 /nfs/dbraw/zinc/31/20/67/654312067.db2.gz ANCNXDHILXWPAB-UHFFFAOYSA-N 1 0 394.273 2.364 20 0 GEADRO O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC000904476352 654312086 /nfs/dbraw/zinc/31/20/86/654312086.db2.gz QPIJFRSRMHQOSR-HUUCEWRRSA-N 1 0 394.484 2.335 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc2c(Br)ccnc12 ZINC000904494668 654312546 /nfs/dbraw/zinc/31/25/46/654312546.db2.gz PBVGFTQPORNVGF-NSHDSACASA-N 1 0 379.258 2.449 20 0 GEADRO Cc1cc(-c2noc([C@H]3CCCN(CC[NH3+])C3=O)n2)ccc1Br ZINC000904531345 654312858 /nfs/dbraw/zinc/31/28/58/654312858.db2.gz YWVAODUYDMJNKU-GFCCVEGCSA-N 1 0 379.258 2.472 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(Br)nn2)CC1 ZINC000891816152 654312947 /nfs/dbraw/zinc/31/29/47/654312947.db2.gz PHCCZMOIMSXXRJ-UHFFFAOYSA-N 1 0 398.349 2.304 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872045802 654313074 /nfs/dbraw/zinc/31/30/74/654313074.db2.gz ROJSEGMNUGPWHB-DZGCQCFKSA-N 1 0 391.331 2.056 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872072690 654313547 /nfs/dbraw/zinc/31/35/47/654313547.db2.gz IXTODPATJJROTB-HIFRSBDPSA-N 1 0 391.331 2.008 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872072692 654313554 /nfs/dbraw/zinc/31/35/54/654313554.db2.gz IXTODPATJJROTB-ZFWWWQNUSA-N 1 0 391.331 2.008 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000872120897 654313883 /nfs/dbraw/zinc/31/38/83/654313883.db2.gz WGKVUVXVAQDYHU-FIEDHZCBSA-N 1 0 379.469 2.299 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)c1 ZINC000872110095 654313967 /nfs/dbraw/zinc/31/39/67/654313967.db2.gz DBZYCKKHSSDBRC-SECBINFHSA-N 1 0 376.347 2.417 20 0 GEADRO O=S1(=O)N=C(Cl)c2ccc(N3CCC([N@@H+]4CCCOCC4)CC3)cc21 ZINC000853688219 654315076 /nfs/dbraw/zinc/31/50/76/654315076.db2.gz JKTQGAKERHEWIQ-UHFFFAOYSA-N 1 0 383.901 2.065 20 0 GEADRO N[C@H](Cc1nc(Cc2cc3c(cc2Br)OCO3)no1)C(F)F ZINC000904667671 654315327 /nfs/dbraw/zinc/31/53/27/654315327.db2.gz YJTFFSCNOHYZDU-MRVPVSSYSA-N 1 0 376.157 2.287 20 0 GEADRO [NH3+]CCN1CCC[C@H](c2nc(Cc3ccc(Br)s3)no2)C1=O ZINC000904664999 654315476 /nfs/dbraw/zinc/31/54/76/654315476.db2.gz JUKWUHBFRCBMEP-SNVBAGLBSA-N 1 0 385.287 2.149 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cn1 ZINC000891869734 654316096 /nfs/dbraw/zinc/31/60/96/654316096.db2.gz WXZIRAVZCPEDQK-UWVGGRQHSA-N 1 0 377.233 2.449 20 0 GEADRO Cn1ncc(-c2noc([C@@H]3CC[NH2+][C@H]([C@@H]4CCCO4)C3)n2)c1Br ZINC000904694872 654317181 /nfs/dbraw/zinc/31/71/81/654317181.db2.gz JVLQLHRVULUTLH-USWWRNFRSA-N 1 0 382.262 2.247 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000872218377 654317521 /nfs/dbraw/zinc/31/75/21/654317521.db2.gz MXOANHCJIWLUCI-QWHCGFSZSA-N 1 0 377.312 2.168 20 0 GEADRO O[C@@H](CNCc1nnc(C2CCOCC2)[nH]1)c1ccc(F)c(Br)c1 ZINC000872222598 654317997 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379.917 2.488 20 0 GEADRO O=c1n(CCC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)nc2n1CCCC2 ZINC000905052870 654328241 /nfs/dbraw/zinc/32/82/41/654328241.db2.gz WPCSWSGPKFESQT-OAHLLOKOSA-N 1 0 385.295 2.401 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892131888 654330348 /nfs/dbraw/zinc/33/03/48/654330348.db2.gz QOMMDRZVOXAZRS-INIZCTEOSA-N 1 0 384.318 2.296 20 0 GEADRO C[C@@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)Sc1ccc(Br)cc1 ZINC000905107461 654332058 /nfs/dbraw/zinc/33/20/58/654332058.db2.gz ZFCCDWCXAVUZHX-WFASDCNBSA-N 1 0 390.343 2.422 20 0 GEADRO CNc1nc(NCC2SCCS2)nc(NCC2SCCS2)[nH+]1 ZINC000853941100 654332136 /nfs/dbraw/zinc/33/21/36/654332136.db2.gz ZZCISTTWEDJACW-UHFFFAOYSA-N 1 0 376.602 2.349 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(Cl)s1 ZINC000834542040 654333016 /nfs/dbraw/zinc/33/30/16/654333016.db2.gz DBAJVHAQPZYJFY-JTQLQIEISA-N 1 0 376.910 2.258 20 0 GEADRO CS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905122661 654333155 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O[C@@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C[C@]1(O)CCOC1 ZINC000905189921 654337175 /nfs/dbraw/zinc/33/71/75/654337175.db2.gz JLKHAPZOJJWDBP-TZMCWYRMSA-N 1 0 398.219 2.460 20 0 GEADRO O[C@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C1(O)CCOCC1 ZINC000905189207 654337189 /nfs/dbraw/zinc/33/71/89/654337189.db2.gz LSQPANXIFXWCIP-MRXNPFEDSA-N 1 0 382.913 2.498 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905190641 654337222 /nfs/dbraw/zinc/33/72/22/654337222.db2.gz XQEDMAKHOQLJHX-DJSGYFEHSA-N 1 0 376.266 2.011 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000892262750 654337419 /nfs/dbraw/zinc/33/74/19/654337419.db2.gz WDBCGEFPDWMKJF-WKXXDYOBSA-N 1 0 388.295 2.127 20 0 GEADRO [NH3+]C1(CNC(=O)NCC2(c3ccc(Br)cc3)CC2)CCOCC1 ZINC000892279114 654338519 /nfs/dbraw/zinc/33/85/19/654338519.db2.gz OFFZEDDYZMONKF-UHFFFAOYSA-N 1 0 382.302 2.288 20 0 GEADRO C[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000854056048 654338890 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GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905248980 654344490 /nfs/dbraw/zinc/34/44/90/654344490.db2.gz WXLOJOUHIFYCFE-GLQYFDAESA-N 1 0 381.325 2.334 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccc(Br)s2)CCC1)C1(O)CCOCC1 ZINC000905257728 654345493 /nfs/dbraw/zinc/34/54/93/654345493.db2.gz VZWRZFGIMZFFDW-GFCCVEGCSA-N 1 0 390.343 2.424 20 0 GEADRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000905271380 654346673 /nfs/dbraw/zinc/34/66/73/654346673.db2.gz CIHQNZMQJJRPSB-SJORKVTESA-N 1 0 395.297 2.075 20 0 GEADRO O[C@H](C[NH2+]CCc1ccc(Br)cc1Cl)C[C@]1(O)CCOC1 ZINC000905271232 654346722 /nfs/dbraw/zinc/34/67/22/654346722.db2.gz AYOCKGONXNIMMZ-DZGCQCFKSA-N 1 0 378.694 2.137 20 0 GEADRO CC1([NH+]2CCC2)CCC(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000834775934 654347966 /nfs/dbraw/zinc/34/79/66/654347966.db2.gz GYMXBDWIYFFIJY-UHFFFAOYSA-N 1 0 385.917 2.124 20 0 GEADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1ccc(Br)cc1)C2 ZINC000905291608 654348264 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20 0 GEADRO C[C@@](O)(C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1)C(F)(F)C(F)(F)F ZINC000905373279 654354201 /nfs/dbraw/zinc/35/42/01/654354201.db2.gz PZWVOFBHEMEPCL-QWHCGFSZSA-N 1 0 375.378 2.482 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nn(C(C)C)cc2Br)C1 ZINC000905394106 654355492 /nfs/dbraw/zinc/35/54/92/654355492.db2.gz ARLCLMKXCMSDSL-CYBMUJFWSA-N 1 0 387.322 2.313 20 0 GEADRO C[C@@](O)(C[NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000905429092 654356372 /nfs/dbraw/zinc/35/63/72/654356372.db2.gz BOWTWBBANLQWLK-IUODEOHRSA-N 1 0 394.306 2.353 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000905431716 654356722 /nfs/dbraw/zinc/35/67/22/654356722.db2.gz KSLLWPDRNNUFMZ-STQMWFEESA-N 1 0 381.416 2.002 20 0 GEADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(F)c(C(F)F)c1)CCO2 ZINC000872498877 654357681 /nfs/dbraw/zinc/35/76/81/654357681.db2.gz AVHSYYOSNOGALP-UHFFFAOYSA-N 1 0 378.416 2.249 20 0 GEADRO O[C@@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000905449323 654358373 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C[C@H](NC(=S)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1cccs1 ZINC000905522359 654363237 /nfs/dbraw/zinc/36/32/37/654363237.db2.gz JLPWZDPSCAPGHD-AWEZNQCLSA-N 1 0 380.583 2.489 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)c3sccc3S(=O)(=O)C(F)F)C2)CC1 ZINC000854498737 654364805 /nfs/dbraw/zinc/36/48/05/654364805.db2.gz VOOYYOFAIIUOKD-UHFFFAOYSA-N 1 0 378.466 2.302 20 0 GEADRO C[NH+](C)CCCNC(=S)NNc1ccccc1I ZINC000905537914 654364830 /nfs/dbraw/zinc/36/48/30/654364830.db2.gz VNUBOCLIKMSYBJ-UHFFFAOYSA-N 1 0 378.283 2.034 20 0 GEADRO S=C(Nc1ccc(Cl)cc1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905555443 654365871 /nfs/dbraw/zinc/36/58/71/654365871.db2.gz KDSSLXRYTMRVMV-KRWDZBQOSA-N 1 0 382.961 2.423 20 0 GEADRO CS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000905561443 654366274 /nfs/dbraw/zinc/36/62/74/654366274.db2.gz RAWHORPYECYZGT-OAHLLOKOSA-N 1 0 383.897 2.316 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2c(Br)nc3n2CCC3)C1 ZINC000835159519 654366845 /nfs/dbraw/zinc/36/68/45/654366845.db2.gz RGHQMBBFYDKLCO-LBPRGKRZSA-N 1 0 386.290 2.105 20 0 GEADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cccnc2Br)CC1 ZINC000854569536 654367483 /nfs/dbraw/zinc/36/74/83/654367483.db2.gz KOBNCUPFDRBPPI-ZDUSSCGKSA-N 1 0 382.302 2.098 20 0 GEADRO Cc1ccc(OC[C@H](O)C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000905586301 654368308 /nfs/dbraw/zinc/36/83/08/654368308.db2.gz JGDNBEXOAWLHFO-OAHLLOKOSA-N 1 0 380.286 2.473 20 0 GEADRO O[C@@H](C[NH2+]CCO[C@H]1CCOC1)COc1ccc(Cl)cc1Br ZINC000905606211 654369269 /nfs/dbraw/zinc/36/92/69/654369269.db2.gz DGCAHLWEMLVMKA-STQMWFEESA-N 1 0 394.693 2.237 20 0 GEADRO CC1(C)O[C@@H]2C[C@@H]([NH2+]C[C@H](O)COc3cccc(Br)c3)C[C@@H]2O1 ZINC000905605405 654369373 /nfs/dbraw/zinc/36/93/73/654369373.db2.gz CKVNIXRHZAEPOU-DARAHFNDSA-N 1 0 386.286 2.461 20 0 GEADRO O[C@@H](C[NH2+]CCO[C@@H]1CCOC1)COc1ccc(Cl)cc1Br ZINC000905606209 654369395 /nfs/dbraw/zinc/36/93/95/654369395.db2.gz DGCAHLWEMLVMKA-QWHCGFSZSA-N 1 0 394.693 2.237 20 0 GEADRO CCC1([NH3+])CCN(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)CC1 ZINC000892926855 654370797 /nfs/dbraw/zinc/37/07/97/654370797.db2.gz ZBBLPIKAEUZOJF-CQSZACIVSA-N 1 0 385.917 2.424 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000905651389 654372025 /nfs/dbraw/zinc/37/20/25/654372025.db2.gz NVTGUAHJUCGYOV-AWEZNQCLSA-N 1 0 384.571 2.016 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000854651252 654373667 /nfs/dbraw/zinc/37/36/67/654373667.db2.gz CJDVCASSDGXWOL-LRDDRELGSA-N 1 0 385.917 2.045 20 0 GEADRO CCn1c(CNC(=O)NC[C@@H]2CC[N@@H+]2C)nc2cc(Br)ccc21 ZINC000922180827 654374095 /nfs/dbraw/zinc/37/40/95/654374095.db2.gz HNLAGFAZWHNMRT-LBPRGKRZSA-N 1 0 380.290 2.322 20 0 GEADRO CCn1c(C[NH2+]CC2(CC(N)=O)CC2)nc(Br)c1Br ZINC000922191396 654375019 /nfs/dbraw/zinc/37/50/19/654375019.db2.gz FIQDGPPWEKJOMU-UHFFFAOYSA-N 1 0 394.111 2.173 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835278159 654377241 /nfs/dbraw/zinc/37/72/41/654377241.db2.gz LRPXUHCGAXSJMO-OLZOCXBDSA-N 1 0 395.301 2.176 20 0 GEADRO Cc1nc(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)sc1Br ZINC000905735481 654377686 /nfs/dbraw/zinc/37/76/86/654377686.db2.gz SMCCKMSNMBWPSV-OTYXRUKQSA-N 1 0 387.303 2.154 20 0 GEADRO O=C(NCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccc(Br)cn1 ZINC000922238710 654378184 /nfs/dbraw/zinc/37/81/84/654378184.db2.gz XJPKFOJXLKOQAT-UMVBOHGHSA-N 1 0 382.302 2.369 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000835302603 654378971 /nfs/dbraw/zinc/37/89/71/654378971.db2.gz BURHABTWNZHHQG-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000922291594 654381545 /nfs/dbraw/zinc/38/15/45/654381545.db2.gz CDYWUDWZHFPFCL-UHFFFAOYSA-N 1 0 382.306 2.397 20 0 GEADRO CCOC(=O)N1CSC[C@@H]1C(=O)NC1(C(F)(F)F)CC[NH+](CC)CC1 ZINC000905824955 654382100 /nfs/dbraw/zinc/38/21/00/654382100.db2.gz LPVQKWGYWLAQQH-LLVKDONJSA-N 1 0 383.436 2.051 20 0 GEADRO C[C@@H](COC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)[NH+]1CCCCC1 ZINC000893135497 654384363 /nfs/dbraw/zinc/38/43/63/654384363.db2.gz SOHCABBKZGEUQA-UONOGXRCSA-N 1 0 386.539 2.005 20 0 GEADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000905851738 654384518 /nfs/dbraw/zinc/38/45/18/654384518.db2.gz CIIFQAYISFEIAY-GWCFXTLKSA-N 1 0 384.274 2.485 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000835371491 654384792 /nfs/dbraw/zinc/38/47/92/654384792.db2.gz JQKFTNFQEVXDCF-GFCCVEGCSA-N 1 0 395.301 2.034 20 0 GEADRO COC(=O)CCN1CC[C@@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)C1=O ZINC000905854477 654385020 /nfs/dbraw/zinc/38/50/20/654385020.db2.gz WMFWSHZHBSENKF-UONOGXRCSA-N 1 0 397.269 2.026 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(Br)c1 ZINC000872661776 654386608 /nfs/dbraw/zinc/38/66/08/654386608.db2.gz BXIDDNLTPFARDJ-KBPBESRZSA-N 1 0 389.315 2.315 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(Br)c1 ZINC000872661779 654386834 /nfs/dbraw/zinc/38/68/34/654386834.db2.gz BXIDDNLTPFARDJ-ZIAGYGMSSA-N 1 0 389.315 2.315 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(F)cc1Br ZINC000872666660 654388331 /nfs/dbraw/zinc/38/83/31/654388331.db2.gz XVZZJRQRYRBTTO-QWHCGFSZSA-N 1 0 377.279 2.445 20 0 GEADRO O[C@H](C[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C[C@@]1(O)CCOC1 ZINC000905904557 654389537 /nfs/dbraw/zinc/38/95/37/654389537.db2.gz KBPWWZZCUGLBOC-QWQWKMKNSA-N 1 0 379.341 2.388 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2)C1 ZINC000905913035 654390681 /nfs/dbraw/zinc/39/06/81/654390681.db2.gz UNPWYDHUVJOKSX-DYVFJYSZSA-N 1 0 376.469 2.213 20 0 GEADRO Cc1c(Br)cncc1C[NH2+][C@H]1CCC(=O)N(C)[C@@H]1c1ccnn1C ZINC000922406727 654390855 /nfs/dbraw/zinc/39/08/55/654390855.db2.gz RFXRAUFSGKEIGQ-YOEHRIQHSA-N 1 0 392.301 2.338 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(CN3C(=O)c4ccc(Br)cc4C3=O)CC[C@@H]21 ZINC000872722001 654392758 /nfs/dbraw/zinc/39/27/58/654392758.db2.gz AMNVXWJKZUBFQG-ABAIWWIYSA-N 1 0 378.270 2.029 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(CN3C(=O)N[C@](C)(c4ccc(Cl)s4)C3=O)CC[C@@H]21 ZINC000872725444 654393330 /nfs/dbraw/zinc/39/33/30/654393330.db2.gz FTEMCIOYKHOSAO-BWACUDIHSA-N 1 0 382.917 2.152 20 0 GEADRO COCCc1ncc(C[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)s1 ZINC000922452396 654394281 /nfs/dbraw/zinc/39/42/81/654394281.db2.gz YBYRTQHLQZXRKS-UHFFFAOYSA-N 1 0 383.539 2.013 20 0 GEADRO Cc1nn2c(C[NH2+]CC3(S(=O)(=O)NC(C)(C)C)CCC3)c(C)nc2s1 ZINC000922471084 654395868 /nfs/dbraw/zinc/39/58/68/654395868.db2.gz COJMAXMFBOBFKF-UHFFFAOYSA-N 1 0 385.559 2.138 20 0 GEADRO C[C@]1(Br)C[C@H]1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000893306103 654396381 /nfs/dbraw/zinc/39/63/81/654396381.db2.gz WQADFXXCZSBSMI-FZMZJTMJSA-N 1 0 377.304 2.200 20 0 GEADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000905983941 654396449 /nfs/dbraw/zinc/39/64/49/654396449.db2.gz IESBWMYRDQCWOY-QJPTWQEYSA-N 1 0 382.302 2.499 20 0 GEADRO CSC1(CNC(=O)N2CCC(CO)(C(F)(F)F)CC2)CC[NH+](C)CC1 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PGLNPCDOYUBSRG-HSZRJFAPSA-N 1 0 377.532 2.182 20 0 GEADRO Cn1c2ccccc2c(Br)c1C[NH2+]CCOCCS(C)(=O)=O ZINC000873060069 654412435 /nfs/dbraw/zinc/41/24/35/654412435.db2.gz CSWXGDQPPAMSBV-UHFFFAOYSA-N 1 0 389.315 2.092 20 0 GEADRO C[NH+](C)CCOc1ccc(NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc1F ZINC000906068136 654413177 /nfs/dbraw/zinc/41/31/77/654413177.db2.gz RYLPUEIJGYTBPD-DEOSSOPVSA-N 1 0 395.522 2.319 20 0 GEADRO CCN(C(=O)c1cccn2c(I)cnc12)[C@@H]1CC[N@H+](C)C1 ZINC000855361023 654415071 /nfs/dbraw/zinc/41/50/71/654415071.db2.gz QUMAKZYMHZXNIS-LLVKDONJSA-N 1 0 398.248 2.105 20 0 GEADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1cccc(Cl)c1Cl ZINC000873101038 654415295 /nfs/dbraw/zinc/41/52/95/654415295.db2.gz MIVKAWUMRMFNNG-LLVKDONJSA-N 1 0 386.279 2.207 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@@H]1C(F)(F)F ZINC000873105003 654415325 /nfs/dbraw/zinc/41/53/25/654415325.db2.gz RWQBUXYMYNSEGJ-BQBZGAKWSA-N 1 0 385.720 2.152 20 0 GEADRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000922824582 654415335 /nfs/dbraw/zinc/41/53/35/654415335.db2.gz XLIVRHMVFAJILH-NSHDSACASA-N 1 0 379.322 2.219 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@H]1C(F)(F)F ZINC000873105006 654415363 /nfs/dbraw/zinc/41/53/63/654415363.db2.gz RWQBUXYMYNSEGJ-RNFRBKRXSA-N 1 0 385.720 2.152 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C(F)(F)F ZINC000873106679 654415639 /nfs/dbraw/zinc/41/56/39/654415639.db2.gz JPORDIXTXBNEOQ-XPUUQOCRSA-N 1 0 385.720 2.152 20 0 GEADRO CSc1ccc(C)c(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873107224 654415653 /nfs/dbraw/zinc/41/56/53/654415653.db2.gz MPEAZELQOMXLPZ-JQWIXIFHSA-N 1 0 375.416 2.251 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC000922825174 654415708 /nfs/dbraw/zinc/41/57/08/654415708.db2.gz HDICDPBELKRGTL-CQSZACIVSA-N 1 0 388.848 2.162 20 0 GEADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000855414871 654418074 /nfs/dbraw/zinc/41/80/74/654418074.db2.gz CSWUPDCXHANVKG-NSHDSACASA-N 1 0 391.331 2.313 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)c1nc(Br)sc1C1CC1 ZINC000855414791 654418193 /nfs/dbraw/zinc/41/81/93/654418193.db2.gz MHXKUXGKXMKCDE-UHFFFAOYSA-N 1 0 389.363 2.396 20 0 GEADRO C[C@@H](CNC(=O)c1cn(C)nc1I)[N@@H+]1CCCC[C@H]1C ZINC000906149287 654419083 /nfs/dbraw/zinc/41/90/83/654419083.db2.gz GFFWACAGFKFQAD-MNOVXSKESA-N 1 0 390.269 2.017 20 0 GEADRO COC[C@@H](C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C(C)C ZINC000922949494 654421755 /nfs/dbraw/zinc/42/17/55/654421755.db2.gz HKLMKQHXFWWHKS-ZIAGYGMSSA-N 1 0 377.938 2.213 20 0 GEADRO O=S(=O)(NC1CCCC1)[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210005 654422803 /nfs/dbraw/zinc/42/28/03/654422803.db2.gz UNNYNIJRHONDQF-KRWDZBQOSA-N 1 0 383.583 2.220 20 0 GEADRO Cn1nnc2c1C[C@H]([NH2+]Cc1ccc(F)cc1I)CC2 ZINC000922991280 654423051 /nfs/dbraw/zinc/42/30/51/654423051.db2.gz OAJCJHNKBGEQLR-LLVKDONJSA-N 1 0 386.212 2.206 20 0 GEADRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000922982574 654423230 /nfs/dbraw/zinc/42/32/30/654423230.db2.gz AHQSPTNDNCLICM-CQSZACIVSA-N 1 0 395.301 2.096 20 0 GEADRO CNC(=O)c1cc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000873302241 654424090 /nfs/dbraw/zinc/42/40/90/654424090.db2.gz CEYMKLSOMRVMDS-GZMMTYOYSA-N 1 0 378.782 2.301 20 0 GEADRO Cc1ccc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c(Br)n1 ZINC000873313380 654424302 /nfs/dbraw/zinc/42/43/02/654424302.db2.gz LHRWHMKWUKROQX-GFCCVEGCSA-N 1 0 383.290 2.433 20 0 GEADRO O[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C12CCOCC2 ZINC000923022370 654425108 /nfs/dbraw/zinc/42/51/08/654425108.db2.gz WEOGKZMORRGLKX-JKSUJKDBSA-N 1 0 393.285 2.049 20 0 GEADRO O[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2I)C12CCOCC2 ZINC000923020781 654425121 /nfs/dbraw/zinc/42/51/21/654425121.db2.gz UTXUMWNDHIEHHK-OLZOCXBDSA-N 1 0 391.224 2.450 20 0 GEADRO C[NH+]1CCC(CC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000923019735 654425275 /nfs/dbraw/zinc/42/52/75/654425275.db2.gz LBNHSBVVYLWFMR-UHFFFAOYSA-N 1 0 382.258 2.450 20 0 GEADRO Cn1nc(Br)nc1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCOCC2 ZINC000923035681 654425871 /nfs/dbraw/zinc/42/58/71/654425871.db2.gz GHBPQDBXCMFGCD-RYUDHWBXSA-N 1 0 387.322 2.420 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)n1 ZINC000893828474 654426167 /nfs/dbraw/zinc/42/61/67/654426167.db2.gz LWRVSWRXYBNONW-VXGBXAGGSA-N 1 0 383.290 2.479 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)n1 ZINC000893859135 654427571 /nfs/dbraw/zinc/42/75/71/654427571.db2.gz JGIIKOYBQVIHFC-DGCLKSJQSA-N 1 0 383.290 2.479 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)n1 ZINC000893859134 654427614 /nfs/dbraw/zinc/42/76/14/654427614.db2.gz JGIIKOYBQVIHFC-AAEUAGOBSA-N 1 0 383.290 2.479 20 0 GEADRO COc1ccc(C[N@@H+]2CCCN(Cc3nc(Br)nn3C)CC2)cc1 ZINC000893872128 654428264 /nfs/dbraw/zinc/42/82/64/654428264.db2.gz PRZWZBLEXTYARO-UHFFFAOYSA-N 1 0 394.317 2.294 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ncc(Br)cn2)[C@@H]1c1ccccc1 ZINC000893878605 654428779 /nfs/dbraw/zinc/42/87/79/654428779.db2.gz UBFXCGLJHYJUBK-ZBFHGGJFSA-N 1 0 390.285 2.484 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cn(C2CC2)c1=O ZINC000906362168 654431252 /nfs/dbraw/zinc/43/12/52/654431252.db2.gz QCCDYAMFPKQIED-NSHDSACASA-N 1 0 380.286 2.160 20 0 GEADRO C[NH+]1CCN(Cc2cccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)c2)CC1 ZINC000906402229 654434658 /nfs/dbraw/zinc/43/46/58/654434658.db2.gz VYDRAHKGSHOUBH-AWEZNQCLSA-N 1 0 394.730 2.494 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283758 654441542 /nfs/dbraw/zinc/44/15/42/654441542.db2.gz YBAXXZURXYPODX-WFASDCNBSA-N 1 0 375.282 2.259 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000906478422 654442215 /nfs/dbraw/zinc/44/22/15/654442215.db2.gz HNLCRFCTJLVSQP-UHFFFAOYSA-N 1 0 382.961 2.325 20 0 GEADRO CC(=O)N[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1cccc(Br)c1 ZINC000923316696 654443564 /nfs/dbraw/zinc/44/35/64/654443564.db2.gz MVVBOOFSALVANT-BBWFWOEESA-N 1 0 394.313 2.321 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncnc4c3c(Br)nn4C(C)(C)C)C[C@H]21 ZINC000894081788 654444930 /nfs/dbraw/zinc/44/49/30/654444930.db2.gz DEFIYLANCQYDLN-IAZYJMLFSA-N 1 0 379.306 2.340 20 0 GEADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000906522392 654446142 /nfs/dbraw/zinc/44/61/42/654446142.db2.gz JBFHVOZOYXSHIA-AWEZNQCLSA-N 1 0 380.286 2.256 20 0 GEADRO C[C@H]([NH2+]Cc1ncc(Br)cc1O)[C@H](O)c1ccc2c(c1)OCO2 ZINC000894097697 654446701 /nfs/dbraw/zinc/44/67/01/654446701.db2.gz IBCUNMNEVZQCPK-FVMDXXJSSA-N 1 0 381.226 2.490 20 0 GEADRO CCOC(=O)c1ncc(Br)c(NC2CC[NH+](C3CCC3)CC2)n1 ZINC000894107918 654447058 /nfs/dbraw/zinc/44/70/58/654447058.db2.gz MENYECARWOLNLB-UHFFFAOYSA-N 1 0 383.290 2.267 20 0 GEADRO Cc1c(Cl)c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)sc1S(N)(=O)=O ZINC000855898300 654447470 /nfs/dbraw/zinc/44/74/70/654447470.db2.gz ABFVHGJGAFQTCO-JTQLQIEISA-N 1 0 393.962 2.208 20 0 GEADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1c(I)cnn1C ZINC000894139550 654449551 /nfs/dbraw/zinc/44/95/51/654449551.db2.gz FSXQWZCCBALBOR-YGRLFVJLSA-N 1 0 391.253 2.236 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000894137675 654449735 /nfs/dbraw/zinc/44/97/35/654449735.db2.gz RWFFEVMVEPLZDM-LLVKDONJSA-N 1 0 383.233 2.366 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000873692676 654449664 /nfs/dbraw/zinc/44/96/64/654449664.db2.gz SJGJAQKYRMPDMH-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923400016 654449709 /nfs/dbraw/zinc/44/97/09/654449709.db2.gz ULVPJMIRLNLQHA-HOCLYGCPSA-N 1 0 375.282 2.258 20 0 GEADRO C[NH+](C)CCOc1ccc(CCNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000906573326 654449973 /nfs/dbraw/zinc/44/99/73/654449973.db2.gz MDTFIQOJAKWXCL-CQSZACIVSA-N 1 0 397.730 2.407 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H]([NH2+]CCO)C2)c(Br)c1 ZINC000923404376 654450201 /nfs/dbraw/zinc/45/02/01/654450201.db2.gz IOIIWFPGEHNQRQ-ZIAGYGMSSA-N 1 0 384.318 2.131 20 0 GEADRO CC1CC[NH+](CCCNCc2c(I)cnn2C)CC1 ZINC000894152908 654450700 /nfs/dbraw/zinc/45/07/00/654450700.db2.gz SYANDPLYTYCTCS-UHFFFAOYSA-N 1 0 376.286 2.236 20 0 GEADRO Cn1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C2)c(I)n1 ZINC000894151029 654450806 /nfs/dbraw/zinc/45/08/06/654450806.db2.gz WZDHORPQORSOAX-HNNXBMFYSA-N 1 0 396.276 2.389 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000894161108 654451727 /nfs/dbraw/zinc/45/17/27/654451727.db2.gz PVTIXFBHVDFLBP-UHFFFAOYSA-N 1 0 387.665 2.335 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000873711059 654451996 /nfs/dbraw/zinc/45/19/96/654451996.db2.gz AHDFAYJFSAOPLY-LBPRGKRZSA-N 1 0 396.285 2.000 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](OC)c2ccc(Br)s2)C1 ZINC000906597557 654452486 /nfs/dbraw/zinc/45/24/86/654452486.db2.gz NKDAHFASFXBLSW-FZMZJTMJSA-N 1 0 391.331 2.425 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000873715820 654453234 /nfs/dbraw/zinc/45/32/34/654453234.db2.gz AHGVFFSOOKZNGK-UHFFFAOYSA-N 1 0 386.290 2.100 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923435671 654453314 /nfs/dbraw/zinc/45/33/14/654453314.db2.gz JZHIVBMQOIUSPT-OHTBPHCPSA-N 1 0 375.282 2.399 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000873718031 654453603 /nfs/dbraw/zinc/45/36/03/654453603.db2.gz QZGUACJWCOTXEY-SNVBAGLBSA-N 1 0 396.285 2.189 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)nc12 ZINC000894194955 654454181 /nfs/dbraw/zinc/45/41/81/654454181.db2.gz OTHIVNDQPUHIBG-BETUJISGSA-N 1 0 392.301 2.108 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2Br)C1 ZINC000873720895 654454217 /nfs/dbraw/zinc/45/42/17/654454217.db2.gz WORGAJMDSPBCEO-MRVPVSSYSA-N 1 0 392.656 2.248 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1c(I)cnn1C ZINC000894201085 654455328 /nfs/dbraw/zinc/45/53/28/654455328.db2.gz VJOKSTUDIOLLGJ-VXGBXAGGSA-N 1 0 376.286 2.235 20 0 GEADRO COc1ccc(C2(C[NH2+]Cc3nc(Br)nn3C)CCOCC2)cc1 ZINC000894202778 654455778 /nfs/dbraw/zinc/45/57/78/654455778.db2.gz LEGRBCRPWRSCCE-UHFFFAOYSA-N 1 0 395.301 2.424 20 0 GEADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000906647988 654456417 /nfs/dbraw/zinc/45/64/17/654456417.db2.gz KKLTUOYPSQHPFD-GFCCVEGCSA-N 1 0 387.735 2.259 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000894211311 654456419 /nfs/dbraw/zinc/45/64/19/654456419.db2.gz OKPSUBSGSQSCFJ-UHFFFAOYSA-N 1 0 388.310 2.314 20 0 GEADRO CN(CC[NH2+]C[C@@H]1C[C@]1(C)Br)S(=O)(=O)c1ccc(F)cc1 ZINC000894222210 654457327 /nfs/dbraw/zinc/45/73/27/654457327.db2.gz RRSINTMSAPTBAN-FZMZJTMJSA-N 1 0 379.295 2.209 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000873754430 654459122 /nfs/dbraw/zinc/45/91/22/654459122.db2.gz JSWKCESKKDBHNW-STQMWFEESA-N 1 0 398.301 2.385 20 0 GEADRO Cc1cc(Br)c(CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)s1 ZINC000906679287 654459201 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GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000906701557 654462479 /nfs/dbraw/zinc/46/24/79/654462479.db2.gz OSYIABHVUCWDDD-CYBMUJFWSA-N 1 0 391.269 2.050 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](CCO)c2ccccc2)c(I)n1 ZINC000894289114 654462565 /nfs/dbraw/zinc/46/25/65/654462565.db2.gz HRKIKWFQOUJVMV-CYBMUJFWSA-N 1 0 385.249 2.281 20 0 GEADRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894286508 654462697 /nfs/dbraw/zinc/46/26/97/654462697.db2.gz DGJIYAGNKMANAY-JQWIXIFHSA-N 1 0 399.456 2.022 20 0 GEADRO Cc1cc([C@@](C)(O)C[NH2+]Cc2c(I)cnn2C)c(C)o1 ZINC000894302850 654463687 /nfs/dbraw/zinc/46/36/87/654463687.db2.gz FEVHRTSTDZDXMR-AWEZNQCLSA-N 1 0 389.237 2.232 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3cnc(Br)cn3)C2)CC1 ZINC000923535032 654463984 /nfs/dbraw/zinc/46/39/84/654463984.db2.gz XSQXTHDHHBIJGB-CYBMUJFWSA-N 1 0 382.306 2.112 20 0 GEADRO CSC1(C[NH2+]Cc2cn(C)nc2I)CCOCC1 ZINC000894308665 654464060 /nfs/dbraw/zinc/46/40/60/654464060.db2.gz 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ZINC000927174595 654595586 /nfs/dbraw/zinc/59/55/86/654595586.db2.gz RKYAKCVNLKKQCS-CYBMUJFWSA-N 1 0 399.232 2.202 20 0 GEADRO C[NH+](C)C[C@@H]1NC(=O)N(c2cc(Br)cc(Br)c2)C1=O ZINC000927257121 654597348 /nfs/dbraw/zinc/59/73/48/654597348.db2.gz HQDDEZWRPGQAHN-JTQLQIEISA-N 1 0 391.063 2.198 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000908116990 654605554 /nfs/dbraw/zinc/60/55/54/654605554.db2.gz FKHPOSZLLWNWCV-AWEZNQCLSA-N 1 0 382.917 2.223 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000927640622 654609460 /nfs/dbraw/zinc/60/94/60/654609460.db2.gz GDOBBAFJMVONBU-UHFFFAOYSA-N 1 0 387.571 2.180 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CCSC[C@H]1c1nccs1 ZINC000927641153 654609492 /nfs/dbraw/zinc/60/94/92/654609492.db2.gz NTUMZKJOERSUFW-GJZGRUSLSA-N 1 0 382.555 2.196 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000908191676 654611832 /nfs/dbraw/zinc/61/18/32/654611832.db2.gz UGCGUNIUKLGZAJ-BXUZGUMPSA-N 1 0 385.295 2.203 20 0 GEADRO COC(=O)c1cc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c(C)cc1Br ZINC000908199923 654612310 /nfs/dbraw/zinc/61/23/10/654612310.db2.gz GFNKKMBFYNXVOX-QGZVFWFLSA-N 1 0 399.285 2.329 20 0 GEADRO Cc1c(NC(=O)C(=O)NCCC[NH3+])cc(Br)cc1C(F)(F)F ZINC000927791304 654614677 /nfs/dbraw/zinc/61/46/77/654614677.db2.gz SGVMCTDSWBJCLX-UHFFFAOYSA-N 1 0 382.180 2.180 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000927809966 654615222 /nfs/dbraw/zinc/61/52/22/654615222.db2.gz DHUOWBORCABBCT-LDYMZIIASA-N 1 0 377.844 2.360 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000927816938 654615729 /nfs/dbraw/zinc/61/57/29/654615729.db2.gz DUNLWPMHWYRLPI-ZJUUUORDSA-N 1 0 388.693 2.321 20 0 GEADRO Cc1sc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)nc1C(C)C ZINC000927841090 654616457 /nfs/dbraw/zinc/61/64/57/654616457.db2.gz GWAKIRYERKHAOX-ZJUUUORDSA-N 1 0 378.420 2.252 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000927840811 654616571 /nfs/dbraw/zinc/61/65/71/654616571.db2.gz BANADJBWGWWXFZ-HZGVNTEJSA-N 1 0 388.148 2.419 20 0 GEADRO CSc1c(F)cccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000927842019 654616663 /nfs/dbraw/zinc/61/66/63/654616663.db2.gz KFUNCLGVMSCUDX-WPRPVWTQSA-N 1 0 379.379 2.224 20 0 GEADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2nc(C3CCC3)cs2)CC[C@@H]1C(F)(F)F ZINC000927846002 654616967 /nfs/dbraw/zinc/61/69/67/654616967.db2.gz PCGBBCKLZBKGQG-UWVGGRQHSA-N 1 0 376.404 2.087 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cccc2c(Br)ccnc12)C(C)C ZINC000927864749 654618449 /nfs/dbraw/zinc/61/84/49/654618449.db2.gz HZVHBIVSVNXVER-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000927868637 654618604 /nfs/dbraw/zinc/61/86/04/654618604.db2.gz MGDLBEIOBJOUOS-RHSMWYFYSA-N 1 0 398.276 2.484 20 0 GEADRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)Nc1ccc(F)c(Br)c1 ZINC000927870322 654618905 /nfs/dbraw/zinc/61/89/05/654618905.db2.gz QGZVCDADRSKZFP-CZUORRHYSA-N 1 0 384.249 2.175 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000927876291 654619077 /nfs/dbraw/zinc/61/90/77/654619077.db2.gz KVVKXWTVFWGACI-LBPRGKRZSA-N 1 0 386.279 2.288 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[C@@H]1C[NH3+] ZINC000927889332 654620085 /nfs/dbraw/zinc/62/00/85/654620085.db2.gz CVIFYSZTMAKNJL-NXEZZACHSA-N 1 0 375.803 2.323 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC[C@@H]1C[NH3+] ZINC000927893958 654620899 /nfs/dbraw/zinc/62/08/99/654620899.db2.gz IZBYFWITRXKNNP-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2s1 ZINC000927896892 654620955 /nfs/dbraw/zinc/62/09/55/654620955.db2.gz FFUMKGYNKQKRGL-WDEREUQCSA-N 1 0 376.507 2.025 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000927929166 654622066 /nfs/dbraw/zinc/62/20/66/654622066.db2.gz KSOCXKIJDPFGSO-GXFFZTMASA-N 1 0 380.286 2.120 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000927926810 654622103 /nfs/dbraw/zinc/62/21/03/654622103.db2.gz IWZGDRNQBXZTOT-GXSJLCMTSA-N 1 0 375.416 2.365 20 0 GEADRO Cc1ccc(F)c(Br)c1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000908399659 654625624 /nfs/dbraw/zinc/62/56/24/654625624.db2.gz LROXSTXKUQKYRU-UHFFFAOYSA-N 1 0 384.293 2.216 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cnnn1-c1ccccc1Br ZINC000908412496 654627782 /nfs/dbraw/zinc/62/77/82/654627782.db2.gz DEBAXSJBFBDBLI-WCQYABFASA-N 1 0 378.274 2.194 20 0 GEADRO O=C(CC1CCN(CC(F)(F)F)CC1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928070927 654628584 /nfs/dbraw/zinc/62/85/84/654628584.db2.gz BPJOHIHNUOVHLH-GJZGRUSLSA-N 1 0 379.492 2.347 20 0 GEADRO C[C@H](CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)n1cc(Br)cn1 ZINC000928075015 654628640 /nfs/dbraw/zinc/62/86/40/654628640.db2.gz CODXNDFCMVOIRM-MRVWCRGKSA-N 1 0 387.347 2.293 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cccn2ncc(Br)c12 ZINC000928104492 654631286 /nfs/dbraw/zinc/63/12/86/654631286.db2.gz VLTOYUHTVWCJDY-KBPBESRZSA-N 1 0 395.326 2.406 20 0 GEADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3ncc(Br)cn3n1)C2 ZINC000908537623 654633262 /nfs/dbraw/zinc/63/32/62/654633262.db2.gz ZLGJMOIEYJZKKH-INIZCTEOSA-N 1 0 378.274 2.050 20 0 GEADRO O=C(Cc1c[nH]c2ccc(Br)cc12)NC[C@@H]1CCCC[N@H+]1CCO ZINC000908540317 654633322 /nfs/dbraw/zinc/63/33/22/654633322.db2.gz JSCOZKFKOAGZJC-HNNXBMFYSA-N 1 0 394.313 2.436 20 0 GEADRO COc1cc(Br)ccc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908592714 654634636 /nfs/dbraw/zinc/63/46/36/654634636.db2.gz NAGIGYKIVCDHQI-UHFFFAOYSA-N 1 0 385.302 2.423 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Cl)ncc2Br)CC1 ZINC000908605901 654635747 /nfs/dbraw/zinc/63/57/47/654635747.db2.gz BODAJTMJJGVZBV-UHFFFAOYSA-N 1 0 390.709 2.463 20 0 GEADRO CCN(C(=O)c1nscc1I)C1CC[NH+](C)CC1 ZINC000908913831 654645659 /nfs/dbraw/zinc/64/56/59/654645659.db2.gz PARKXVVKTZQNRN-UHFFFAOYSA-N 1 0 379.267 2.304 20 0 GEADRO C[C@H]1[C@H](NC(=O)c2cc(I)c(F)cc2F)CC[N@@H+]1C ZINC000928440657 654647575 /nfs/dbraw/zinc/64/75/75/654647575.db2.gz MEMPIINENDGPPR-JVXZTZIISA-N 1 0 380.176 2.392 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)c1ccc(Br)cc1 ZINC000928452608 654647892 /nfs/dbraw/zinc/64/78/92/654647892.db2.gz NFLYKAMKXBYRJE-IUIKQTSFSA-N 1 0 382.302 2.225 20 0 GEADRO C[C@H]1[C@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC[N@@H+]1C ZINC000928450104 654647902 /nfs/dbraw/zinc/64/79/02/654647902.db2.gz SASRIKKVXKDOEQ-WCQYABFASA-N 1 0 399.563 2.111 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928459037 654648408 /nfs/dbraw/zinc/64/84/08/654648408.db2.gz YMSYZVSBONRUIR-KCXAZCMYSA-N 1 0 383.945 2.400 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)ccc1Cl ZINC000928458353 654648481 /nfs/dbraw/zinc/64/84/81/654648481.db2.gz VDWZMJDRMGXRTJ-SWLSCSKDSA-N 1 0 387.933 2.193 20 0 GEADRO O=C(Cc1cc(Br)ccc1Cl)NCC[NH+]1CCC(O)CC1 ZINC000909273791 654658151 /nfs/dbraw/zinc/65/81/51/654658151.db2.gz XLPIPXVOCBCWNT-UHFFFAOYSA-N 1 0 375.694 2.218 20 0 GEADRO Cc1cc(C)c(Br)c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1 ZINC000909317864 654659299 /nfs/dbraw/zinc/65/92/99/654659299.db2.gz LARYOOULOJABHE-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO Cc1ccc(Br)c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1 ZINC000909319196 654659598 /nfs/dbraw/zinc/65/95/98/654659598.db2.gz VKLPBRIYXZNTHZ-UHFFFAOYSA-N 1 0 382.302 2.089 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)[nH]cc1Br)Cc1ccccc1 ZINC000929469749 654685148 /nfs/dbraw/zinc/68/51/48/654685148.db2.gz VIMKUFAPIDAVJO-CYBMUJFWSA-N 1 0 378.270 2.452 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccccc1SC(F)(F)F ZINC000929751946 654691475 /nfs/dbraw/zinc/69/14/75/654691475.db2.gz SSOCPHICUZSSDZ-NSHDSACASA-N 1 0 377.432 2.371 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(Br)s2)[C@@H](C)C1 ZINC000910284717 654695160 /nfs/dbraw/zinc/69/51/60/654695160.db2.gz SOJGYAFIVKMFQS-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000929990467 654696721 /nfs/dbraw/zinc/69/67/21/654696721.db2.gz FDEVHHUZHBXGOV-CYBMUJFWSA-N 1 0 380.286 2.428 20 0 GEADRO CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000930216522 654702256 /nfs/dbraw/zinc/70/22/56/654702256.db2.gz JSDBBFVUPFJGFH-RYUDHWBXSA-N 1 0 390.374 2.323 20 0 GEADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(C(=O)OC)cc2Br)C1 ZINC000930305095 654705445 /nfs/dbraw/zinc/70/54/45/654705445.db2.gz LCUUZCDKOGYQQN-QGZVFWFLSA-N 1 0 399.285 2.202 20 0 GEADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(=O)[nH]cc1Br ZINC000930336073 654706419 /nfs/dbraw/zinc/70/64/19/654706419.db2.gz FXBXTUFVQXQTFD-ZDUSSCGKSA-N 1 0 378.270 2.452 20 0 GEADRO O=S(=O)(C1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1)N1CCCC1 ZINC000930336584 654706431 /nfs/dbraw/zinc/70/64/31/654706431.db2.gz LBUQXSTXEHEAHK-HIFRSBDPSA-N 1 0 384.464 2.376 20 0 GEADRO CCN1CC[C@H]([NH2+]C[C@@H]2CCCS2(=O)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000930352719 654706843 /nfs/dbraw/zinc/70/68/43/654706843.db2.gz AQHYWWWZENDZAU-NUTKFTJISA-N 1 0 376.444 2.406 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000930369767 654707516 /nfs/dbraw/zinc/70/75/16/654707516.db2.gz XVDYCOGSAZSPOQ-ABAIWWIYSA-N 1 0 392.297 2.475 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000930369774 654707534 /nfs/dbraw/zinc/70/75/34/654707534.db2.gz XVIQBZBXRDWYDN-BXUZGUMPSA-N 1 0 392.297 2.475 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)c2cc(=O)n(C)cc2Br)([NH+](C)C)C1 ZINC000930434333 654710098 /nfs/dbraw/zinc/71/00/98/654710098.db2.gz PYXSKPMAZWLNQY-YVEFUNNKSA-N 1 0 384.318 2.388 20 0 GEADRO Cc1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)n1 ZINC000930463823 654710963 /nfs/dbraw/zinc/71/09/63/654710963.db2.gz XYUYTASHFRGVBC-UONOGXRCSA-N 1 0 383.290 2.215 20 0 GEADRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)n1 ZINC000930463822 654711027 /nfs/dbraw/zinc/71/10/27/654711027.db2.gz XYUYTASHFRGVBC-KGLIPLIRSA-N 1 0 383.290 2.215 20 0 GEADRO O=C(NCc1cscc1Cl)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910838749 654712154 /nfs/dbraw/zinc/71/21/54/654712154.db2.gz ZXLATPWBMHWLNB-UHFFFAOYSA-N 1 0 378.885 2.198 20 0 GEADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000910866484 654712940 /nfs/dbraw/zinc/71/29/40/654712940.db2.gz NSKIIWMUZFDUIZ-UHFFFAOYSA-N 1 0 384.318 2.399 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(=O)n(C)cc1Br ZINC000930583700 654714271 /nfs/dbraw/zinc/71/42/71/654714271.db2.gz VVQHJDGDFJHLOP-UPJWGTAASA-N 1 0 384.318 2.244 20 0 GEADRO CS(=O)(=O)N1CC(C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)C1 ZINC000930611896 654715303 /nfs/dbraw/zinc/71/53/03/654715303.db2.gz LJNVNPNDMKTXIY-UHFFFAOYSA-N 1 0 383.461 2.233 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C[C@H]1CC[NH3+] ZINC000911058478 654716330 /nfs/dbraw/zinc/71/63/30/654716330.db2.gz ACOJAGCPMPZYAU-GHMZBOCLSA-N 1 0 380.901 2.009 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 ZINC000911080617 654716704 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375.416 2.158 20 0 GEADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911348832 654722782 /nfs/dbraw/zinc/72/27/82/654722782.db2.gz RHYGFDKIISEVRE-OAHLLOKOSA-N 1 0 375.416 2.128 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)NCc1c(Cl)cccc1OC(F)F)C(C)C ZINC000911359230 654723006 /nfs/dbraw/zinc/72/30/06/654723006.db2.gz XCVQIGMOSZRSNL-UHFFFAOYSA-N 1 0 377.819 2.014 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000911369340 654723214 /nfs/dbraw/zinc/72/32/14/654723214.db2.gz XXMGCRLHJHODHC-BXKDBHETSA-N 1 0 398.212 2.000 20 0 GEADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(=O)n(C)cc1Br ZINC000930953244 654724564 /nfs/dbraw/zinc/72/45/64/654724564.db2.gz WLXZZNKMELGDGL-UHFFFAOYSA-N 1 0 384.318 2.484 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2SC(F)(F)F)CC[C@H]1[NH3+] ZINC000911575224 654726925 /nfs/dbraw/zinc/72/69/25/654726925.db2.gz GYBXDBNKGHCEGT-CMPLNLGQSA-N 1 0 375.416 2.110 20 0 GEADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000911582437 654727155 /nfs/dbraw/zinc/72/71/55/654727155.db2.gz QQZKSODZJYAXRO-IJEWVQPXSA-N 1 0 393.281 2.274 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000931044791 654727760 /nfs/dbraw/zinc/72/77/60/654727760.db2.gz YUWBFOMGLXQDSO-IUODEOHRSA-N 1 0 375.332 2.247 20 0 GEADRO CN1CCN(C(=O)Nc2cc(F)cc(Br)c2F)CC[N@H+](C)CC1 ZINC000931122507 654729816 /nfs/dbraw/zinc/72/98/16/654729816.db2.gz LVBDYYCNVAHKRF-UHFFFAOYSA-N 1 0 391.260 2.438 20 0 GEADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ncc(Br)cn1 ZINC000931140595 654730392 /nfs/dbraw/zinc/73/03/92/654730392.db2.gz PYGJMBRBYMTYFA-UHFFFAOYSA-N 1 0 379.258 2.110 20 0 GEADRO Cc1ccc(Br)c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)n1 ZINC000911734483 654731010 /nfs/dbraw/zinc/73/10/10/654731010.db2.gz CFKQUXJYWVFFNN-UHFFFAOYSA-N 1 0 376.258 2.209 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C[C@@H]2c3cccc(Br)c3NC2=O)CC1 ZINC000911752209 654731164 /nfs/dbraw/zinc/73/11/64/654731164.db2.gz BFLJHSKVJJVAMG-GXFFZTMASA-N 1 0 380.286 2.461 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)C1(O)CCOCC1)c1cc(F)c(Br)cc1F ZINC000931171976 654731614 /nfs/dbraw/zinc/73/16/14/654731614.db2.gz LZSYKHMPOVPEMI-OTYXRUKQSA-N 1 0 380.229 2.280 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(Cn2cc(Br)cn2)s1 ZINC000911768542 654731719 /nfs/dbraw/zinc/73/17/19/654731719.db2.gz QGYJJGKDCGCSSP-LLVKDONJSA-N 1 0 383.315 2.485 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)c2nnn(-c3ccccc3Br)c2C)C1 ZINC000911773063 654731760 /nfs/dbraw/zinc/73/17/60/654731760.db2.gz AIFHRPVHZPPFPJ-GFCCVEGCSA-N 1 0 378.274 2.020 20 0 GEADRO C[NH2+]CC1CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000911777256 654731948 /nfs/dbraw/zinc/73/19/48/654731948.db2.gz HXYMXHFJVPTWSM-UHFFFAOYSA-N 1 0 378.274 2.101 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000931182955 654732165 /nfs/dbraw/zinc/73/21/65/654732165.db2.gz XJXJWBAIAIYOSF-UHFFFAOYSA-N 1 0 385.306 2.055 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H]2c3cc(Br)ccc3NC2=O)C1 ZINC000911823709 654733183 /nfs/dbraw/zinc/73/31/83/654733183.db2.gz MVLAZJJSCQFKAZ-MISXGVKJSA-N 1 0 380.286 2.461 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cnn3cccc(Br)c23)n1 ZINC000931198462 654733243 /nfs/dbraw/zinc/73/32/43/654733243.db2.gz LKLRASDCJOPMGG-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO Cn1cc(C(=O)NCC[NH2+]C2CCCCCC2)c(I)n1 ZINC000911840405 654733732 /nfs/dbraw/zinc/73/37/32/654733732.db2.gz JEWJMUIETWUQIU-UHFFFAOYSA-N 1 0 390.269 2.067 20 0 GEADRO COc1ccc(Br)cc1[C@@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911842399 654734111 /nfs/dbraw/zinc/73/41/11/654734111.db2.gz VJGRHZSYKBMMKN-QGZVFWFLSA-N 1 0 396.329 2.448 20 0 GEADRO Cc1c(Br)cc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)c(=O)n1C ZINC000911857079 654734350 /nfs/dbraw/zinc/73/43/50/654734350.db2.gz SGMDXRKWQPVLJU-JTQLQIEISA-N 1 0 378.270 2.406 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](N)c1ccccc1I ZINC000911867023 654734541 /nfs/dbraw/zinc/73/45/41/654734541.db2.gz GEFDOLOLMBGTNM-KGLIPLIRSA-N 1 0 389.281 2.123 20 0 GEADRO CCOc1ccc(Br)c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1F ZINC000911881573 654734998 /nfs/dbraw/zinc/73/49/98/654734998.db2.gz FPOWEUCIRAUJEG-SKDRFNHKSA-N 1 0 375.238 2.175 20 0 GEADRO CN(C)C[C@@H]([NH2+]C[C@H](O)C1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000931258854 654735848 /nfs/dbraw/zinc/73/58/48/654735848.db2.gz YVYNYYYZDIDJPP-CVEARBPZSA-N 1 0 377.312 2.088 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000911939910 654736941 /nfs/dbraw/zinc/73/69/41/654736941.db2.gz DIANHUSZSHCNGL-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000911940171 654736963 /nfs/dbraw/zinc/73/69/63/654736963.db2.gz IAZJXQWDUJSRQP-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285742 654736978 /nfs/dbraw/zinc/73/69/78/654736978.db2.gz CLLHMOWPIZARMR-KRWDZBQOSA-N 1 0 396.329 2.162 20 0 GEADRO C[N@@H+]1C[C@@]2(C)CN(Cc3nnnn3-c3ccccc3Br)C[C@@]2(C)C1 ZINC000931305290 654737440 /nfs/dbraw/zinc/73/74/40/654737440.db2.gz CBIAXDPESUKCOS-CALCHBBNSA-N 1 0 391.317 2.198 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000931301433 654737450 /nfs/dbraw/zinc/73/74/50/654737450.db2.gz TWIMCUFFUCOHKI-CHWSQXEVSA-N 1 0 398.349 2.111 20 0 GEADRO O=C(C[C@@]1(O)CCC[NH2+]C1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000911968979 654738239 /nfs/dbraw/zinc/73/82/39/654738239.db2.gz KFSUNXXVMGWGKK-INIZCTEOSA-N 1 0 382.486 2.413 20 0 GEADRO Cc1ccc(NC(=O)c2ccn(CCC[NH3+])n2)cc1I ZINC000911989823 654738993 /nfs/dbraw/zinc/73/89/93/654738993.db2.gz FJUYBPYGZOBMBE-UHFFFAOYSA-N 1 0 384.221 2.397 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931404121 654741058 /nfs/dbraw/zinc/74/10/58/654741058.db2.gz UNQIDDWGOIYMGJ-MRXNPFEDSA-N 1 0 398.345 2.393 20 0 GEADRO CCC[N@@H+]1CCC[C@H](C(=O)NN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000912049563 654741327 /nfs/dbraw/zinc/74/13/27/654741327.db2.gz WWMVUCBAHFOGIM-NSHDSACASA-N 1 0 394.269 2.198 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nscc1I ZINC000912065488 654741746 /nfs/dbraw/zinc/74/17/46/654741746.db2.gz LLJWGJIYSHKXGA-MNOVXSKESA-N 1 0 391.278 2.494 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(-c3nnc(Br)o3)cc2)[C@H](C)C1 ZINC000912061238 654741764 /nfs/dbraw/zinc/74/17/64/654741764.db2.gz VDGXBBRMQOJSDN-VXGBXAGGSA-N 1 0 381.274 2.390 20 0 GEADRO COC(=O)[C@@H](c1ccccc1Br)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931479757 654743389 /nfs/dbraw/zinc/74/33/89/654743389.db2.gz AYWKYWUPLJSGAV-OAHLLOKOSA-N 1 0 385.302 2.052 20 0 GEADRO C[NH+](C)CC1(O)CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000931487464 654743974 /nfs/dbraw/zinc/74/39/74/654743974.db2.gz BFRMHTWFQXRKTG-UHFFFAOYSA-N 1 0 385.302 2.109 20 0 GEADRO COc1ccc(NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c(C)c1 ZINC000912282372 654748638 /nfs/dbraw/zinc/74/86/38/654748638.db2.gz CRPLLIPJDVKUIP-UHFFFAOYSA-N 1 0 380.242 2.139 20 0 GEADRO COc1cc(/C=C\C(=O)N2CC([NH+]3CCCC3)C2)cc(Br)c1O ZINC000912326322 654749913 /nfs/dbraw/zinc/74/99/13/654749913.db2.gz ITNCNGKEQBPWMN-PLNGDYQASA-N 1 0 381.270 2.483 20 0 GEADRO CSCC[C@H]([NH3+])CC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000912381851 654751764 /nfs/dbraw/zinc/75/17/64/654751764.db2.gz SUHWHBXNLCZINF-INIZCTEOSA-N 1 0 383.945 2.024 20 0 GEADRO COC1(OC)CCOC[C@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000931668248 654752292 /nfs/dbraw/zinc/75/22/92/654752292.db2.gz OUCRZUJBOZPFRD-SMDDNHRTSA-N 1 0 380.268 2.101 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CC[C@@H](c3ccccc3)C2)c1=O ZINC000912442738 654754406 /nfs/dbraw/zinc/75/44/06/654754406.db2.gz QBZMTJPQINCHJR-CQSZACIVSA-N 1 0 390.281 2.199 20 0 GEADRO COC(=O)C[C@@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc(Br)cc1 ZINC000912453296 654754432 /nfs/dbraw/zinc/75/44/32/654754432.db2.gz CFLJBXFDUBPMNK-CTASWTNQSA-N 1 0 381.270 2.025 20 0 GEADRO [NH3+][C@H](CC(=O)N[C@H]1CCc2n[nH]cc2C1)Cc1ccc(Br)cc1 ZINC000912475213 654756151 /nfs/dbraw/zinc/75/61/51/654756151.db2.gz GOQQSIBJCNZUKP-GJZGRUSLSA-N 1 0 377.286 2.106 20 0 GEADRO CC[N@H+](C)C[C@@H](O)CN1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000931800161 654757425 /nfs/dbraw/zinc/75/74/25/654757425.db2.gz SLCSZURPQHWGCT-CRAIPNDOSA-N 1 0 393.329 2.432 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000912589618 654760209 /nfs/dbraw/zinc/76/02/09/654760209.db2.gz VUGKLAQFOMBYGT-UHFFFAOYSA-N 1 0 388.281 2.196 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000912595374 654760465 /nfs/dbraw/zinc/76/04/65/654760465.db2.gz BHIZVYRQZQMAQO-UHFFFAOYSA-N 1 0 399.329 2.427 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000912600544 654760619 /nfs/dbraw/zinc/76/06/19/654760619.db2.gz WULDGQQIXBKGJF-UHFFFAOYSA-N 1 0 384.318 2.045 20 0 GEADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2nscc2I)C12CCC2 ZINC000912600442 654760687 /nfs/dbraw/zinc/76/06/87/654760687.db2.gz LZGDGFFNDCOCJZ-NXEZZACHSA-N 1 0 391.278 2.350 20 0 GEADRO Cc1cc(C(=O)N(C)CC[N@H+](C)CCO)nn1-c1ccc(Cl)c(Cl)c1 ZINC000912608555 654760989 /nfs/dbraw/zinc/76/09/89/654760989.db2.gz UBIGZJNGFQEUEO-UHFFFAOYSA-N 1 0 385.295 2.484 20 0 GEADRO Cc1nc([C@H]2CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)no1 ZINC000931945197 654762114 /nfs/dbraw/zinc/76/21/14/654762114.db2.gz YIBPKNUBQPXTAD-NSHDSACASA-N 1 0 390.241 2.138 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932001906 654763937 /nfs/dbraw/zinc/76/39/37/654763937.db2.gz RWNOEUMQIGHFCK-FZMZJTMJSA-N 1 0 390.249 2.023 20 0 GEADRO Cc1cc(C(=O)N2CCN(C)C[C@@H]2CO)nn1-c1ccc(Cl)c(Cl)c1 ZINC000912740004 654765795 /nfs/dbraw/zinc/76/57/95/654765795.db2.gz MJYMHYYCPLTIGM-CYBMUJFWSA-N 1 0 383.279 2.236 20 0 GEADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1nc2ncc(Br)cn2n1 ZINC000912813565 654769049 /nfs/dbraw/zinc/76/90/49/654769049.db2.gz LMHHZCAVQVOOPY-YPMHNXCESA-N 1 0 395.305 2.079 20 0 GEADRO NC(=O)[C@](O)(C[NH2+][C@H]1CCOc2ccc(Br)cc21)c1ccccc1 ZINC000932206262 654770134 /nfs/dbraw/zinc/77/01/34/654770134.db2.gz ZIUVYULQGCTAFH-YJBOKZPZSA-N 1 0 391.265 2.235 20 0 GEADRO O=c1cc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)[nH]c2ccnn21 ZINC000932205345 654770230 /nfs/dbraw/zinc/77/02/30/654770230.db2.gz DJZKNFLBYADHRD-ZDUSSCGKSA-N 1 0 375.226 2.399 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCOc2ccc(Br)cc21)COC[C@@H]1CCCO1 ZINC000932209087 654770431 /nfs/dbraw/zinc/77/04/31/654770431.db2.gz SGQKAMXXPIPQFW-DZKIICNBSA-N 1 0 386.286 2.419 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(=O)[nH]cc1Br ZINC000932211112 654770702 /nfs/dbraw/zinc/77/07/02/654770702.db2.gz HVUNBEDVLDTOJK-UHFFFAOYSA-N 1 0 379.258 2.149 20 0 GEADRO CCO[C@H](CNC(=O)Nc1c2c(ccc1Br)OCC2)C[NH+](C)C ZINC000932218818 654770947 /nfs/dbraw/zinc/77/09/47/654770947.db2.gz XGRXGLGXDHLPQK-LLVKDONJSA-N 1 0 386.290 2.472 20 0 GEADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000932248738 654772227 /nfs/dbraw/zinc/77/22/27/654772227.db2.gz JJWAKNTVZYNVOJ-MRXNPFEDSA-N 1 0 381.318 2.145 20 0 GEADRO O=Cc1ccc(OCC(=O)N2CCC([NH+]3CCC3)CC2)c(Br)c1 ZINC000912878242 654772466 /nfs/dbraw/zinc/77/24/66/654772466.db2.gz NYUPEKKEVVGXMS-UHFFFAOYSA-N 1 0 381.270 2.337 20 0 GEADRO O=C(Nc1n[nH]cc1I)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000912886588 654772724 /nfs/dbraw/zinc/77/27/24/654772724.db2.gz AWPAIWFGWHLSEL-GFCCVEGCSA-N 1 0 396.232 2.475 20 0 GEADRO NC(=O)[C@@](O)(C[N@@H+]1CCC[C@@H]1c1cncc(Br)c1)c1ccccc1 ZINC000932253760 654772904 /nfs/dbraw/zinc/77/29/04/654772904.db2.gz QVJAVEVUXYLJDU-SJLPKXTDSA-N 1 0 390.281 2.354 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000932267680 654773548 /nfs/dbraw/zinc/77/35/48/654773548.db2.gz SWHVCLDJADVTBG-UHFFFAOYSA-N 1 0 399.333 2.140 20 0 GEADRO CCOc1ccc(Br)c(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1F ZINC000932263740 654773623 /nfs/dbraw/zinc/77/36/23/654773623.db2.gz TVEBCWBYXKGDIZ-LLVKDONJSA-N 1 0 389.265 2.437 20 0 GEADRO C[NH+](C)C1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000932361223 654776056 /nfs/dbraw/zinc/77/60/56/654776056.db2.gz KJQJHBHTMIQMIA-AWEZNQCLSA-N 1 0 380.286 2.428 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2nscc2I)C1 ZINC000913005857 654778453 /nfs/dbraw/zinc/77/84/53/654778453.db2.gz ITAXOKQPFWHYIP-SECBINFHSA-N 1 0 379.267 2.209 20 0 GEADRO C[C@@H](CNC(=O)c1cc(=O)n(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000932504536 654779654 /nfs/dbraw/zinc/77/96/54/654779654.db2.gz RDLZCJKGWHANIF-ZDUSSCGKSA-N 1 0 392.297 2.398 20 0 GEADRO CN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000932538288 654780617 /nfs/dbraw/zinc/78/06/17/654780617.db2.gz HAUPUOLFRNZDPK-GOEBONIOSA-N 1 0 392.297 2.428 20 0 GEADRO Cc1ccc(Br)c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000932622076 654783799 /nfs/dbraw/zinc/78/37/99/654783799.db2.gz PNIYIMUNQRRFLZ-CYBMUJFWSA-N 1 0 381.318 2.051 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000913150702 654785413 /nfs/dbraw/zinc/78/54/13/654785413.db2.gz FGQLCVCQFOUNJN-OAHLLOKOSA-N 1 0 377.229 2.190 20 0 GEADRO COc1cc(Br)cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000932691917 654785690 /nfs/dbraw/zinc/78/56/90/654785690.db2.gz TWGQIYOVOGCPDU-QGZVFWFLSA-N 1 0 398.345 2.460 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC000932703659 654786139 /nfs/dbraw/zinc/78/61/39/654786139.db2.gz NNSUZSBJMLSBPF-UHFFFAOYSA-N 1 0 390.272 2.295 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000932703948 654786146 /nfs/dbraw/zinc/78/61/46/654786146.db2.gz QJQBSUYNZFLAIZ-UHFFFAOYSA-N 1 0 376.245 2.095 20 0 GEADRO C[C@@H](CNC(=O)c1cc(Br)cnc1C1CC1)N1CC[NH+](C)CC1 ZINC000932725627 654787398 /nfs/dbraw/zinc/78/73/98/654787398.db2.gz AHIVGCRVGOITFT-LBPRGKRZSA-N 1 0 381.318 2.087 20 0 GEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(I)cn3)C[C@@]2(C)C1 ZINC000913277367 654787586 /nfs/dbraw/zinc/78/75/86/654787586.db2.gz STNDJQFEJYRRGH-GASCZTMLSA-N 1 0 385.249 2.100 20 0 GEADRO O[C@]1(c2ccc(Br)cc2)CCCN(Cc2nnnn2C2CC2)C1 ZINC000932808992 654791134 /nfs/dbraw/zinc/79/11/34/654791134.db2.gz JNGYWRKZBGFSRC-MRXNPFEDSA-N 1 0 378.274 2.254 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000913426465 654791537 /nfs/dbraw/zinc/79/15/37/654791537.db2.gz SRFAFJOXSSXYLJ-XOKHGSTOSA-N 1 0 389.297 2.275 20 0 GEADRO Cc1cc(Br)c(CC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)s1 ZINC000913427310 654791628 /nfs/dbraw/zinc/79/16/28/654791628.db2.gz FRMKBJFCZKJZNO-NSHDSACASA-N 1 0 375.332 2.323 20 0 GEADRO C[N@H+](C[C@H](O)CN1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819440 654792179 /nfs/dbraw/zinc/79/21/79/654792179.db2.gz WZQMNWNRVBPPEH-ZWKOTPCHSA-N 1 0 383.330 2.188 20 0 GEADRO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000932919382 654794538 /nfs/dbraw/zinc/79/45/38/654794538.db2.gz PZGJCSVBTQAJFI-INIZCTEOSA-N 1 0 378.889 2.312 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(F)cc(Br)c1F ZINC000933135206 654803216 /nfs/dbraw/zinc/80/32/16/654803216.db2.gz YFMQRNMKZAAMLB-UHFFFAOYSA-N 1 0 377.229 2.304 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000913677853 654803813 /nfs/dbraw/zinc/80/38/13/654803813.db2.gz HUBNHRICWHRZHP-UHFFFAOYSA-N 1 0 379.810 2.211 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1=O ZINC000933270189 654805885 /nfs/dbraw/zinc/80/58/85/654805885.db2.gz ZVMXUYAAIXSKSU-UHFFFAOYSA-N 1 0 382.302 2.238 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1c(F)ccc(Br)c1F ZINC000933291891 654806638 /nfs/dbraw/zinc/80/66/38/654806638.db2.gz WGKZBQMCGFPYDY-SNVBAGLBSA-N 1 0 391.260 2.485 20 0 GEADRO Cn1cc(C(=O)NC2CCC(C)([NH+](C)C)CC2)c(I)n1 ZINC000913737942 654806736 /nfs/dbraw/zinc/80/67/36/654806736.db2.gz DKJYOJGGBRYVRC-UHFFFAOYSA-N 1 0 390.269 2.017 20 0 GEADRO COC[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000913764286 654808212 /nfs/dbraw/zinc/80/82/12/654808212.db2.gz JRLMGUABFAHLTA-RDJZCZTQSA-N 1 0 385.302 2.100 20 0 GEADRO Cc1cc(C)c(C(=O)NCc2c(I)cnn2C)c(C)n1 ZINC000913781951 654809050 /nfs/dbraw/zinc/80/90/50/654809050.db2.gz GFKWRNFBXOPHTA-UHFFFAOYSA-N 1 0 384.221 2.275 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000913796375 654809728 /nfs/dbraw/zinc/80/97/28/654809728.db2.gz BNKVRLMSSMOMHG-GOSISDBHSA-N 1 0 381.314 2.444 20 0 GEADRO CN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913842293 654811569 /nfs/dbraw/zinc/81/15/69/654811569.db2.gz CKCUWZKPXHVRPW-KRWDZBQOSA-N 1 0 385.917 2.026 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCC(F)(F)F ZINC000933436218 654812632 /nfs/dbraw/zinc/81/26/32/654812632.db2.gz BLVYCAPWYGDDTD-ZDUSSCGKSA-N 1 0 383.208 2.011 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)s1 ZINC000933430702 654812736 /nfs/dbraw/zinc/81/27/36/654812736.db2.gz BKYVNVGBWAWSMV-QGZVFWFLSA-N 1 0 386.514 2.221 20 0 GEADRO CCCS(=O)(=O)CC[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436314 654812902 /nfs/dbraw/zinc/81/29/02/654812902.db2.gz CMVSQDCFFWBFJP-OAHLLOKOSA-N 1 0 378.332 2.157 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCc1ccco1 ZINC000933437550 654813246 /nfs/dbraw/zinc/81/32/46/654813246.db2.gz PADLULMIKIYXGY-KRWDZBQOSA-N 1 0 381.270 2.242 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000933438412 654813516 /nfs/dbraw/zinc/81/35/16/654813516.db2.gz WYZPMLRHAMBPPL-HNNXBMFYSA-N 1 0 390.343 2.157 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000933440346 654813612 /nfs/dbraw/zinc/81/36/12/654813612.db2.gz KSEOEUXXTNNJCG-NVXWUHKLSA-N 1 0 383.286 2.315 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cn3ncnc23)[C@@H](C)C1 ZINC000933439493 654813618 /nfs/dbraw/zinc/81/36/18/654813618.db2.gz QQTFCVRXBDHNFE-FZMZJTMJSA-N 1 0 380.290 2.294 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c([O-])cccc1OC(F)(F)F ZINC000913912836 654815536 /nfs/dbraw/zinc/81/55/36/654815536.db2.gz JQEFUCJXXSBICD-SNVBAGLBSA-N 1 0 380.388 2.053 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2c(C)sc(C)c2C)CC1 ZINC000913925060 654816263 /nfs/dbraw/zinc/81/62/63/654816263.db2.gz MJZNODFYERZFQU-UHFFFAOYSA-N 1 0 388.555 2.227 20 0 GEADRO CC[C@](O)(C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1)C(F)(F)F ZINC000933548417 654816529 /nfs/dbraw/zinc/81/65/29/654816529.db2.gz BXQMVTWWZFTFBU-HNNXBMFYSA-N 1 0 380.432 2.217 20 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/nfs/dbraw/zinc/82/52/21/654825221.db2.gz CZRDRQIFKHTPTC-UHFFFAOYSA-N 1 0 393.273 2.267 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c1F ZINC000914080946 654825428 /nfs/dbraw/zinc/82/54/28/654825428.db2.gz LLLAWRBHYVJHPT-JTQLQIEISA-N 1 0 395.294 2.217 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cscc3C(F)F)CC2)C1 ZINC000914117056 654827602 /nfs/dbraw/zinc/82/76/02/654827602.db2.gz FCNUPVIVTVSMAQ-LBPRGKRZSA-N 1 0 379.498 2.086 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933975387 654832302 /nfs/dbraw/zinc/83/23/02/654832302.db2.gz FVFGRYKLNWRYND-CABCVRRESA-N 1 0 377.447 2.485 20 0 GEADRO C[C@H](NC(=O)CN1CCN(C)CC[N@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000933995733 654833621 /nfs/dbraw/zinc/83/36/21/654833621.db2.gz JHYWEMRJTLHEFS-AWEZNQCLSA-N 1 0 387.355 2.350 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000934248952 654839648 /nfs/dbraw/zinc/83/96/48/654839648.db2.gz IPXIWVBQUNWLHD-GJZGRUSLSA-N 1 0 383.290 2.215 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000934262469 654840991 /nfs/dbraw/zinc/84/09/91/654840991.db2.gz WXUIPNALZZIKCN-GFCCVEGCSA-N 1 0 384.322 2.300 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000934262471 654841055 /nfs/dbraw/zinc/84/10/55/654841055.db2.gz WXUIPNALZZIKCN-LBPRGKRZSA-N 1 0 384.322 2.300 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCOc1cc(F)cc(Br)c1 ZINC000934264116 654841282 /nfs/dbraw/zinc/84/12/82/654841282.db2.gz FZJZJKRUECAEEX-SJORKVTESA-N 1 0 387.293 2.498 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCOc1cc(F)cc(Br)c1 ZINC000934264114 654841322 /nfs/dbraw/zinc/84/13/22/654841322.db2.gz FZJZJKRUECAEEX-IRXDYDNUSA-N 1 0 387.293 2.498 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934264492 654841591 /nfs/dbraw/zinc/84/15/91/654841591.db2.gz SZBOKQNGTSWNLO-ZACQAIPSSA-N 1 0 397.313 2.194 20 0 GEADRO O=C(CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)Nc1cccc(Br)c1 ZINC000934265516 654841608 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C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000934630112 654854438 /nfs/dbraw/zinc/85/44/38/654854438.db2.gz YQOXYLOUZCYDPY-BFYDXBDKSA-N 1 0 382.551 2.208 20 0 GEADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000914444389 654854675 /nfs/dbraw/zinc/85/46/75/654854675.db2.gz USCFKZIAMSYHLX-HUUCEWRRSA-N 1 0 387.571 2.138 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH2+]C(C)(C)CSC)cc1 ZINC000934673787 654855308 /nfs/dbraw/zinc/85/53/08/654855308.db2.gz HDLJNQRCUIYWTC-UHFFFAOYSA-N 1 0 387.571 2.387 20 0 GEADRO Cc1cc(C(F)(F)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cnc1Cl ZINC000934737338 654856510 /nfs/dbraw/zinc/85/65/10/654856510.db2.gz ZACLLOCIKLMAJE-UHFFFAOYSA-N 1 0 375.847 2.487 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1 ZINC000934778974 654859325 /nfs/dbraw/zinc/85/93/25/654859325.db2.gz SJHUDUVIBWQLFK-QAPCUYQASA-N 1 0 382.551 2.494 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000915135001 654863674 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COc1cc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc(Br)c1OC ZINC000915620591 654875011 /nfs/dbraw/zinc/87/50/11/654875011.db2.gz GSHGPMHNDRGCMX-GXFFZTMASA-N 1 0 386.290 2.358 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000935105882 654876120 /nfs/dbraw/zinc/87/61/20/654876120.db2.gz DIJWIJOHJGWCGL-UHFFFAOYSA-N 1 0 395.301 2.016 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cnn3cccc(Br)c23)C[C@H]1[NH+](C)C ZINC000935113728 654876610 /nfs/dbraw/zinc/87/66/10/654876610.db2.gz PRCRHWXOBVGGHI-CHWSQXEVSA-N 1 0 383.315 2.214 20 0 GEADRO CS[C@H]1CN(C(=O)c2cnn3cccc(Br)c23)C[C@@H]1[NH+](C)C ZINC000935113736 654876623 /nfs/dbraw/zinc/87/66/23/654876623.db2.gz PRCRHWXOBVGGHI-STQMWFEESA-N 1 0 383.315 2.214 20 0 GEADRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ncc(Br)cn1 ZINC000935139659 654878024 /nfs/dbraw/zinc/87/80/24/654878024.db2.gz CFFLQCUASWMUEQ-UHFFFAOYSA-N 1 0 391.269 2.448 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935214115 654881663 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C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000935698434 654911391 /nfs/dbraw/zinc/91/13/91/654911391.db2.gz QEBQNZLKRXMQJD-OAHLLOKOSA-N 1 0 396.329 2.255 20 0 GEADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cn1 ZINC000935733062 654913488 /nfs/dbraw/zinc/91/34/88/654913488.db2.gz KNNRZCVLSAOQRW-CQSZACIVSA-N 1 0 375.270 2.491 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccccc1[S@](=O)C(F)(F)F ZINC000935779535 654916204 /nfs/dbraw/zinc/91/62/04/654916204.db2.gz DICWKHZEBFNEJL-YDBLSZJJSA-N 1 0 380.432 2.137 20 0 GEADRO CSCC[C@@H](CC(=O)NOC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000935842395 654921093 /nfs/dbraw/zinc/92/10/93/654921093.db2.gz QGXCXBVQXQSLGR-ZDUSSCGKSA-N 1 0 375.535 2.165 20 0 GEADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2nc(Cl)cs2)CC[N@@H+]1C ZINC000976761657 654943275 /nfs/dbraw/zinc/94/32/75/654943275.db2.gz KYYJFTGJQOSVCW-FDYHWXHSSA-N 1 0 384.933 2.294 20 0 GEADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3csc(Cl)n3)C2)CC[N@@H+]1C ZINC000982128116 654944311 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IHZKZIPTTISVDR-NWDGAFQWSA-N 1 0 375.923 2.392 20 0 GEADRO C[Si](C)(C)c1ccc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@@H]3C2)nc1Cl ZINC001164389426 718823815 /nfs/dbraw/zinc/82/38/15/718823815.db2.gz IHZKZIPTTISVDR-VXGBXAGGSA-N 1 0 375.923 2.392 20 0 GEADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)c(Cl)n1 ZINC001164390053 718824213 /nfs/dbraw/zinc/82/42/13/718824213.db2.gz LOCYLMZCEFLPHV-WCQYABFASA-N 1 0 375.803 2.024 20 0 GEADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389879 718825207 /nfs/dbraw/zinc/82/52/07/718825207.db2.gz KHMOQDGJVBOPMR-JZXOWHBKSA-N 1 0 378.835 2.492 20 0 GEADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCN4CC[NH2+]C[C@H]4C3)c12 ZINC001164408135 718839632 /nfs/dbraw/zinc/83/96/32/718839632.db2.gz YLASVUUUOHEWFQ-IBGZPJMESA-N 1 0 376.508 2.190 20 0 GEADRO c1cc(N2CCCCC2)ccc1-c1ccc(N2CCN3CC[NH2+]C[C@H]3C2)nn1 ZINC001164399825 718842371 /nfs/dbraw/zinc/84/23/71/718842371.db2.gz HHKQJYASRRBKJX-FQEVSTJZSA-N 1 0 378.524 2.228 20 0 GEADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164403077 718853968 /nfs/dbraw/zinc/85/39/68/718853968.db2.gz HKBPGPYRCKGOQO-RHSMWYFYSA-N 1 0 380.826 2.360 20 0 GEADRO O=C1NCCN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)C12C[NH2+]C2 ZINC001164413617 718879518 /nfs/dbraw/zinc/87/95/18/718879518.db2.gz KIICRIAYRHXJFW-UHFFFAOYSA-N 1 0 394.809 2.105 20 0 GEADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415978 718885245 /nfs/dbraw/zinc/88/52/45/718885245.db2.gz OXWLBUFGUKTLRK-UHFFFAOYSA-N 1 0 393.829 2.452 20 0 GEADRO FC(F)(Sc1ccc(Cl)nc1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425010 718919202 /nfs/dbraw/zinc/91/92/02/718919202.db2.gz QEDQDHFRMLVWOE-CQSZACIVSA-N 1 0 379.860 2.458 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164620833 719016234 /nfs/dbraw/zinc/01/62/34/719016234.db2.gz ZRUNMMSMLAUKNJ-GUBZILKMSA-N 1 0 395.237 2.144 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(C(=O)OC)c3C)CC2)CC1 ZINC001164613733 719023881 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ALXXQSGRWOSJJN-OAHLLOKOSA-N 1 0 385.464 2.331 20 0 GEADRO O=S1(=O)CCc2nc(Cl)nc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c21 ZINC001165048750 721978614 /nfs/dbraw/zinc/97/86/14/721978614.db2.gz GIWHUBPMKHUXKT-CYBMUJFWSA-N 1 0 384.933 2.305 20 0 GEADRO CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1 ZINC001164955122 722010117 /nfs/dbraw/zinc/01/01/17/722010117.db2.gz UFJPGIPSYCZHBP-NQIIRXRSSA-N 1 0 387.528 2.077 20 0 GEADRO COC(=O)c1cccc2nc(N3CC[NH+](CCc4ccccn4)CC3)ncc21 ZINC001165054241 722011058 /nfs/dbraw/zinc/01/10/58/722011058.db2.gz UGTYZBGMBISJPY-UHFFFAOYSA-N 1 0 377.448 2.176 20 0 GEADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[NH+](CCc4ccccn4)CC3)cc-2n1 ZINC001165054193 722012723 /nfs/dbraw/zinc/01/27/23/722012723.db2.gz QHBQXTDHXZQLQS-UHFFFAOYSA-N 1 0 395.463 2.118 20 0 GEADRO COc1cc2ncnc(N3CC[NH+](CCc4ccccn4)CC3)c2c(OC)c1 ZINC001165056243 722013547 /nfs/dbraw/zinc/01/35/47/722013547.db2.gz QHMYXPMZRIJJKO-UHFFFAOYSA-N 1 0 379.464 2.407 20 0 GEADRO CCOc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164964487 722054403 /nfs/dbraw/zinc/05/44/03/722054403.db2.gz VDPMDXQWNZTCJR-UHFFFAOYSA-N 1 0 383.496 2.389 20 0 GEADRO CC(C)(C)OC(=O)Nc1cc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)ncn1 ZINC001164965941 722069002 /nfs/dbraw/zinc/06/90/02/722069002.db2.gz SLPOYHQKWPYSTJ-GASCZTMLSA-N 1 0 375.473 2.123 20 0 GEADRO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1)C1CC1 ZINC001164967732 722074883 /nfs/dbraw/zinc/07/48/83/722074883.db2.gz UJENAQOKRMNKQJ-ZCNNSNEGSA-N 1 0 385.508 2.438 20 0 GEADRO c1cc2c(cc1-c1ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn1)OCCO2 ZINC001164967217 722075916 /nfs/dbraw/zinc/07/59/16/722075916.db2.gz OECWYJXYYBOCCA-HDICACEKSA-N 1 0 394.475 2.214 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc(N5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164981378 722099129 /nfs/dbraw/zinc/09/91/29/722099129.db2.gz LFJQBKCDONXIPJ-UXHICEINSA-N 1 0 394.523 2.199 20 0 GEADRO Cc1nc(CN2CCO[C@H]3CCN(c4ncc(C)cc4C[NH3+])CC[C@@H]32)cs1 ZINC001164992799 722184448 /nfs/dbraw/zinc/18/44/48/722184448.db2.gz UJQQWXIRBZOGLX-OALUTQOASA-N 1 0 387.553 2.483 20 0 GEADRO Cc1[nH]c2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1C ZINC001165002167 722253863 /nfs/dbraw/zinc/25/38/63/722253863.db2.gz KKTUNUFJOXKBJR-UHFFFAOYSA-N 1 0 383.500 2.260 20 0 GEADRO Cc1nc(Cl)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1C ZINC001165001654 722253903 /nfs/dbraw/zinc/25/39/03/722253903.db2.gz FEUSWVNTWBCVEP-UHFFFAOYSA-N 1 0 378.908 2.432 20 0 GEADRO Nc1nc(-n2cccn2)cc(N[C@H](CO)c2ccc(Br)cc2)[nH+]1 ZINC000488973052 531492085 /nfs/dbraw/zinc/49/20/85/531492085.db2.gz BRNNDGLONGTHSN-GFCCVEGCSA-N 1 0 375.230 2.153 20 0 GEADRO Cc1ccc(Br)c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000151555497 531511352 /nfs/dbraw/zinc/51/13/52/531511352.db2.gz DXBQWPHKYNIASA-MRXNPFEDSA-N 1 0 396.329 2.430 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000151698365 531513935 /nfs/dbraw/zinc/51/39/35/531513935.db2.gz YSQHDRMRNMBXHE-CQSZACIVSA-N 1 0 398.345 2.384 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000151718430 531517153 /nfs/dbraw/zinc/51/71/53/531517153.db2.gz WGOBVTYYBJWLGK-SNVBAGLBSA-N 1 0 377.819 2.030 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000151465816 531504864 /nfs/dbraw/zinc/50/48/64/531504864.db2.gz KYAHHVZOPCJIEL-UHFFFAOYSA-N 1 0 383.290 2.019 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)NCC[NH2+]C3CC3)[nH]c(=O)c2c1C ZINC000151532521 531509002 /nfs/dbraw/zinc/50/90/02/531509002.db2.gz FVLIJJYBCDMFDI-NSHDSACASA-N 1 0 380.539 2.091 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000151794187 531520821 /nfs/dbraw/zinc/52/08/21/531520821.db2.gz LYLCBSMMCYFWCX-UHFFFAOYSA-N 1 0 384.318 2.368 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000151788656 531521646 /nfs/dbraw/zinc/52/16/46/531521646.db2.gz COSDDWBWPRQDST-KSSFIOAISA-N 1 0 393.329 2.043 20 0 GEADRO COCC[NH2+]CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000152224012 531538884 /nfs/dbraw/zinc/53/88/84/531538884.db2.gz WBBSRPRSHOFUSI-SNVBAGLBSA-N 1 0 379.682 2.222 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000152446061 531551435 /nfs/dbraw/zinc/55/14/35/531551435.db2.gz SLEPHEOHSZIFPO-UHFFFAOYSA-N 1 0 395.301 2.333 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000152824520 531573213 /nfs/dbraw/zinc/57/32/13/531573213.db2.gz NWYDGQIIYURVOE-CYBMUJFWSA-N 1 0 385.277 2.311 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000152860887 531575108 /nfs/dbraw/zinc/57/51/08/531575108.db2.gz DOBPXTZNFFNUNB-MLGOLLRUSA-N 1 0 386.901 2.231 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSc2ccccc2Cl)CC1 ZINC000152900677 531577071 /nfs/dbraw/zinc/57/70/71/531577071.db2.gz VJQCQXSVULQDAD-HNNXBMFYSA-N 1 0 381.929 2.197 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Cl)c1 ZINC000152896265 531577537 /nfs/dbraw/zinc/57/75/37/531577537.db2.gz QTPVVLTZOSSFPJ-HIFRSBDPSA-N 1 0 386.901 2.231 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000153172504 531591823 /nfs/dbraw/zinc/59/18/23/531591823.db2.gz CDKLDWXGZLJDQY-UHFFFAOYSA-N 1 0 376.245 2.095 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000153714522 531606935 /nfs/dbraw/zinc/60/69/35/531606935.db2.gz YPRPZLOEGISLGF-JTQLQIEISA-N 1 0 375.803 2.338 20 0 GEADRO Cc1cc(NC(=O)CSCC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)no1 ZINC000025329517 531613034 /nfs/dbraw/zinc/61/30/34/531613034.db2.gz XMYXBHVBAXXCOA-ZDUSSCGKSA-N 1 0 382.511 2.135 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000154084497 531620568 /nfs/dbraw/zinc/62/05/68/531620568.db2.gz DGELNPJBJFJNMP-AWEZNQCLSA-N 1 0 383.290 2.163 20 0 GEADRO Cn1cnnc1Sc1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000154083179 531621288 /nfs/dbraw/zinc/62/12/88/531621288.db2.gz KANSTZHNSUYSLO-LBPRGKRZSA-N 1 0 381.889 2.327 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000154081277 531621334 /nfs/dbraw/zinc/62/13/34/531621334.db2.gz MZCNVIMWHNRDAM-JQWIXIFHSA-N 1 0 386.265 2.046 20 0 GEADRO O=C1NC[C@H]2CN(Cc3ccnc(-c4ccc(Br)cc4)n3)CCN12 ZINC000154422080 531624776 /nfs/dbraw/zinc/62/47/76/531624776.db2.gz URTCUVZJGOAMMX-HNNXBMFYSA-N 1 0 388.269 2.116 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000027747354 531626778 /nfs/dbraw/zinc/62/67/78/531626778.db2.gz YCYNSKHEWJBHOJ-LBPRGKRZSA-N 1 0 393.962 2.013 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000154669607 531626987 /nfs/dbraw/zinc/62/69/87/531626987.db2.gz NZENAUJEYBRGFR-DGCLKSJQSA-N 1 0 382.302 2.082 20 0 GEADRO C[C@H](NC(=O)Nc1cccc(I)c1)[C@@H]1CN(C)CCO1 ZINC000154944402 531644329 /nfs/dbraw/zinc/64/43/29/531644329.db2.gz OIBALVAUOOTURC-GWCFXTLKSA-N 1 0 389.237 2.132 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1OC ZINC000032072726 531647751 /nfs/dbraw/zinc/64/77/51/531647751.db2.gz GURNHKLCNIWJIA-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCNC(=O)c1cccc(O)c1 ZINC000155059955 531653839 /nfs/dbraw/zinc/65/38/39/531653839.db2.gz ZPGJCEWMJUMCQT-GFCCVEGCSA-N 1 0 381.274 2.149 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000032663512 531655005 /nfs/dbraw/zinc/65/50/05/531655005.db2.gz APJBHGQBLFIBSY-ZDUSSCGKSA-N 1 0 382.302 2.170 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccccc2I)C1 ZINC000040598908 531661693 /nfs/dbraw/zinc/66/16/93/531661693.db2.gz POABOAZOIQNVEG-LBPRGKRZSA-N 1 0 387.265 2.161 20 0 GEADRO CN(CC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)c1cccs1 ZINC000041423368 531662580 /nfs/dbraw/zinc/66/25/80/531662580.db2.gz XISWVSWTJXUXHS-UHFFFAOYSA-N 1 0 381.567 2.298 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[NH+]1CCCC1 ZINC000041597827 531665487 /nfs/dbraw/zinc/66/54/87/531665487.db2.gz PJJZBGZGFIILCZ-JTQLQIEISA-N 1 0 375.803 2.480 20 0 GEADRO C[C@@H]1CN(C(=O)CCCOc2ccc(I)cc2)CC[NH2+]1 ZINC000155215520 531666410 /nfs/dbraw/zinc/66/64/10/531666410.db2.gz XNNMOEFZZNPNRD-GFCCVEGCSA-N 1 0 388.249 2.271 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000042917674 531674142 /nfs/dbraw/zinc/67/41/42/531674142.db2.gz VMXOIESECRCKJN-UHFFFAOYSA-N 1 0 398.301 2.021 20 0 GEADRO COC(=O)CCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000043112619 531678335 /nfs/dbraw/zinc/67/83/35/531678335.db2.gz YDDIVPYLPJUOFL-UHFFFAOYSA-N 1 0 384.274 2.093 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000155352231 531678444 /nfs/dbraw/zinc/67/84/44/531678444.db2.gz MAUVQFVIXRDKJB-PHIMTYICSA-N 1 0 378.270 2.455 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044502182 531682430 /nfs/dbraw/zinc/68/24/30/531682430.db2.gz UJHRXKMJWNAVGA-LLVKDONJSA-N 1 0 377.304 2.126 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000155539743 531688333 /nfs/dbraw/zinc/68/83/33/531688333.db2.gz FMKMEJGETOMBKW-STQMWFEESA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)c2c[nH]c3cccc(Br)c32)CC1 ZINC000155647863 531694209 /nfs/dbraw/zinc/69/42/09/531694209.db2.gz BSSJZDLZYIUBHP-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO C[C@H](CNC(=O)c1c[nH]c2cccc(Br)c12)N1CC[NH+](C)CC1 ZINC000155884197 531703748 /nfs/dbraw/zinc/70/37/48/531703748.db2.gz ZUCPWJBPISXISN-GFCCVEGCSA-N 1 0 379.302 2.296 20 0 GEADRO C[N@H+](CC(=O)NCCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCSC1 ZINC000155969176 531706607 /nfs/dbraw/zinc/70/66/07/531706607.db2.gz FXHVEHIPYWMMKL-CQSZACIVSA-N 1 0 380.901 2.486 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1Cl ZINC000156254278 531725495 /nfs/dbraw/zinc/72/54/95/531725495.db2.gz LPULZUUVTPNCNG-RKDXNWHRSA-N 1 0 397.722 2.482 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000048270804 531728640 /nfs/dbraw/zinc/72/86/40/531728640.db2.gz KUPPFDCZVXAVMU-KBPBESRZSA-N 1 0 384.318 2.095 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NC3CC[NH+](C)CC3)CC2=O)ccc1Br ZINC000048402601 531730681 /nfs/dbraw/zinc/73/06/81/531730681.db2.gz WCEZNDQAUGJQSJ-ZDUSSCGKSA-N 1 0 394.313 2.321 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 ZINC000047453716 531713192 /nfs/dbraw/zinc/71/31/92/531713192.db2.gz VWFWTSTWHFWOQN-UHFFFAOYSA-N 1 0 381.523 2.154 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Cn1cc(Br)ccc1=O)c1ccsc1 ZINC000047528790 531715042 /nfs/dbraw/zinc/71/50/42/531715042.db2.gz PEYCTRVFIKGFKQ-ZDUSSCGKSA-N 1 0 384.299 2.091 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000047634551 531717568 /nfs/dbraw/zinc/71/75/68/531717568.db2.gz DXLGBZXMGIAVCR-UHFFFAOYSA-N 1 0 387.933 2.098 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000156169321 531718479 /nfs/dbraw/zinc/71/84/79/531718479.db2.gz XMMRTJBXUIDREJ-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000156224022 531722257 /nfs/dbraw/zinc/72/22/57/531722257.db2.gz NFMULDLRIRGBNV-QWRGUYRKSA-N 1 0 377.304 2.137 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)Cc2csc3ccc(Cl)cc23)CC1 ZINC000157238367 531736253 /nfs/dbraw/zinc/73/62/53/531736253.db2.gz LZFZZROFZALOSI-UHFFFAOYSA-N 1 0 379.913 2.330 20 0 GEADRO CC1CC[NH+](CCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000053160691 531756203 /nfs/dbraw/zinc/75/62/03/531756203.db2.gz UEIKMODVRFWKAK-UHFFFAOYSA-N 1 0 387.933 2.052 20 0 GEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)C[C@H]3CSCCS3)cc2)CC1 ZINC000158049351 531765745 /nfs/dbraw/zinc/76/57/45/531765745.db2.gz VNDSALJACAURNC-SFHVURJKSA-N 1 0 379.595 2.289 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000158269878 531773332 /nfs/dbraw/zinc/77/33/32/531773332.db2.gz WWFXPXBOERYBHB-KRWDZBQOSA-N 1 0 395.301 2.039 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000158280357 531774109 /nfs/dbraw/zinc/77/41/09/531774109.db2.gz HXLQTBLDFCPLEI-XPTSAGLGSA-N 1 0 376.320 2.119 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000158367517 531777284 /nfs/dbraw/zinc/77/72/84/531777284.db2.gz AIGDCFOSUIDZHL-YPMHNXCESA-N 1 0 389.315 2.100 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000055989916 531800933 /nfs/dbraw/zinc/80/09/33/531800933.db2.gz QZDNJRZHGACLQR-UHFFFAOYSA-N 1 0 382.917 2.456 20 0 GEADRO C[C@H](CNC(=O)CN(C)C(=O)c1ccc(Br)s1)[N@H+](C)C1CC1 ZINC000057706454 531823005 /nfs/dbraw/zinc/82/30/05/531823005.db2.gz JVIFPEMBCVYYDV-SNVBAGLBSA-N 1 0 388.331 2.182 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000161657357 531833474 /nfs/dbraw/zinc/83/34/74/531833474.db2.gz MIOLGVKKHNZZPX-JTQLQIEISA-N 1 0 387.354 2.426 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000161650969 531834442 /nfs/dbraw/zinc/83/44/42/531834442.db2.gz GDGCVXFRMMQPOC-AWEZNQCLSA-N 1 0 380.432 2.077 20 0 GEADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162145688 531835576 /nfs/dbraw/zinc/83/55/76/531835576.db2.gz VNDCYLSHANOYPD-CQSZACIVSA-N 1 0 394.269 2.287 20 0 GEADRO Nc1cc(N)[nH+]c(SCC(=O)Nc2nc3c(cc(F)c(F)c3F)s2)n1 ZINC000058830730 531836198 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CCNC(=O)C[N@H+](C)CCCOc1cccc(I)c1 ZINC000064142425 531864237 /nfs/dbraw/zinc/86/42/37/531864237.db2.gz OQLHXWZLNLFCRG-UHFFFAOYSA-N 1 0 376.238 2.128 20 0 GEADRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000165381878 531872783 /nfs/dbraw/zinc/87/27/83/531872783.db2.gz FXRZQLOTPARVCJ-GXTWGEPZSA-N 1 0 395.301 2.149 20 0 GEADRO C[C@@H](CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[S@@](C)=O ZINC000165841665 531875539 /nfs/dbraw/zinc/87/55/39/531875539.db2.gz VWBQZQRNGNBFKJ-OWJWWREXSA-N 1 0 375.604 2.194 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000067283486 531880255 /nfs/dbraw/zinc/88/02/55/531880255.db2.gz ZOVAQFHGZANILB-TZMCWYRMSA-N 1 0 392.297 2.155 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000171153659 531895533 /nfs/dbraw/zinc/89/55/33/531895533.db2.gz DEGIIFSCDAOICX-UHFFFAOYSA-N 1 0 388.339 2.340 20 0 GEADRO C[C@@H](NC(=O)CN1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000171153891 531896389 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C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000068268605 531903836 /nfs/dbraw/zinc/90/38/36/531903836.db2.gz IBYUAWMMRSABAS-CQSZACIVSA-N 1 0 387.571 2.138 20 0 GEADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000074974412 531918295 /nfs/dbraw/zinc/91/82/95/531918295.db2.gz OEGNYDPQKZCMME-IAGOWNOFSA-N 1 0 375.579 2.032 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000171769085 531915840 /nfs/dbraw/zinc/91/58/40/531915840.db2.gz IJHQCVBOIPVARM-AWEZNQCLSA-N 1 0 396.333 2.018 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)CN1CC[NH+](C)CC1 ZINC000071972584 531915804 /nfs/dbraw/zinc/91/58/04/531915804.db2.gz SSKMRJLVJNOTEL-LBPRGKRZSA-N 1 0 380.341 2.155 20 0 GEADRO COc1ccc(CC[NH2+]Cc2ccc(Br)cc2)cc1S(N)(=O)=O ZINC000094013903 531929041 /nfs/dbraw/zinc/92/90/41/531929041.db2.gz BOZBDMGAFZUOEH-UHFFFAOYSA-N 1 0 399.310 2.437 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000093997978 531929753 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O=S(=O)(NCCC[NH+]1CCCC1)c1cccc(I)c1 ZINC000172658343 531963613 /nfs/dbraw/zinc/96/36/13/531963613.db2.gz QTNGKDKYBOYNJI-UHFFFAOYSA-N 1 0 394.278 2.055 20 0 GEADRO O=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1cc(F)c(F)c(F)c1 ZINC000119276923 531963849 /nfs/dbraw/zinc/96/38/49/531963849.db2.gz VZCXZKOWIAWUKA-INIZCTEOSA-N 1 0 375.416 2.433 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000113983850 531952679 /nfs/dbraw/zinc/95/26/79/531952679.db2.gz FLCHLWQROIPYGE-MRXNPFEDSA-N 1 0 394.313 2.266 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2I)C1 ZINC000114199186 531956298 /nfs/dbraw/zinc/95/62/98/531956298.db2.gz FOMQDGZNHWLQPS-LBPRGKRZSA-N 1 0 387.265 2.113 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000119436230 531968343 /nfs/dbraw/zinc/96/83/43/531968343.db2.gz MVFYEJYACWDBIL-DOMZBBRYSA-N 1 0 394.313 2.137 20 0 GEADRO NC(=O)C1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOCC1 ZINC000119502686 531971150 /nfs/dbraw/zinc/97/11/50/531971150.db2.gz 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Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000120932487 532001961 /nfs/dbraw/zinc/00/19/61/532001961.db2.gz YQCOPAXPGSDLOG-LBPRGKRZSA-N 1 0 380.286 2.297 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)[NH+](C)C)cc1 ZINC000173284464 532000548 /nfs/dbraw/zinc/00/05/48/532000548.db2.gz MJDLQDRANICQPJ-OAHLLOKOSA-N 1 0 378.270 2.479 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000121050121 532009950 /nfs/dbraw/zinc/00/99/50/532009950.db2.gz IZJDWMKQUUYZNQ-RHSMWYFYSA-N 1 0 397.313 2.317 20 0 GEADRO C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1CCSC1 ZINC000121183219 532016269 /nfs/dbraw/zinc/01/62/69/532016269.db2.gz IBAVZJFRJGZITE-ZDUSSCGKSA-N 1 0 389.352 2.474 20 0 GEADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173632375 532023181 /nfs/dbraw/zinc/02/31/81/532023181.db2.gz WSCXYYUUCRDLMT-CQSZACIVSA-N 1 0 382.917 2.484 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000173703603 532027973 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CC[C@H](CO)[NH+]1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000173746001 532030241 /nfs/dbraw/zinc/03/02/41/532030241.db2.gz QTWSQYPNNOPGHB-MRXNPFEDSA-N 1 0 384.318 2.166 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000173744261 532030546 /nfs/dbraw/zinc/03/05/46/532030546.db2.gz YYLGPFYFLKRFLX-OAHLLOKOSA-N 1 0 384.318 2.085 20 0 GEADRO CC(C)[NH+](CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000121547428 532034563 /nfs/dbraw/zinc/03/45/63/532034563.db2.gz VFQAGSUQHLNSFY-AWEZNQCLSA-N 1 0 389.949 2.242 20 0 GEADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000121543575 532034691 /nfs/dbraw/zinc/03/46/91/532034691.db2.gz PBJHFKGQZJWDBJ-AWEZNQCLSA-N 1 0 386.480 2.323 20 0 GEADRO CC[NH+]1CCN(CC(=O)NCCc2cc(Cl)ccc2Br)CC1 ZINC000121598089 532036959 /nfs/dbraw/zinc/03/69/59/532036959.db2.gz XCAWWGIINWIKKP-UHFFFAOYSA-N 1 0 388.737 2.399 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000173854649 532039048 /nfs/dbraw/zinc/03/90/48/532039048.db2.gz IWFPRIANNPQYJV-ZDUSSCGKSA-N 1 0 397.317 2.103 20 0 GEADRO C[NH2+]CCCNC(=O)CCCOc1ccc(I)cc1 ZINC000121620850 532038180 /nfs/dbraw/zinc/03/81/80/532038180.db2.gz WKQAFBAQRFCEQI-UHFFFAOYSA-N 1 0 376.238 2.176 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000173874667 532039929 /nfs/dbraw/zinc/03/99/29/532039929.db2.gz HRBKFVYKPAKALY-KGLIPLIRSA-N 1 0 396.329 2.379 20 0 GEADRO C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000121700526 532041573 /nfs/dbraw/zinc/04/15/73/532041573.db2.gz CEFMTPOJWKIWOV-UHFFFAOYSA-N 1 0 380.432 2.484 20 0 GEADRO CC[C@H](CO)[NH+]1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000174140917 532052006 /nfs/dbraw/zinc/05/20/06/532052006.db2.gz AYIRGZWWHKHHCK-CZUORRHYSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000122159223 532059601 /nfs/dbraw/zinc/05/96/01/532059601.db2.gz SSSIMSRESKCYBG-IUODEOHRSA-N 1 0 382.302 2.297 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)cc1Cl ZINC000122161912 532060171 /nfs/dbraw/zinc/06/01/71/532060171.db2.gz MXCDEUQSKINBMR-UHFFFAOYSA-N 1 0 397.324 2.391 20 0 GEADRO C[C@@H](CNC(=O)NCc1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000174426690 532064878 /nfs/dbraw/zinc/06/48/78/532064878.db2.gz VCVLOYITYYKJNV-AWEZNQCLSA-N 1 0 383.334 2.132 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)c(F)cc2F)C1 ZINC000122365616 532067692 /nfs/dbraw/zinc/06/76/92/532067692.db2.gz RJHYOLLCIQLTNM-QMMMGPOBSA-N 1 0 380.176 2.251 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000174525720 532068570 /nfs/dbraw/zinc/06/85/70/532068570.db2.gz CYSLXPNRBIORJO-ZDUSSCGKSA-N 1 0 387.933 2.004 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000174610069 532071867 /nfs/dbraw/zinc/07/18/67/532071867.db2.gz LFFMUVGVQBPKKJ-UHFFFAOYSA-N 1 0 384.249 2.270 20 0 GEADRO C[C@@H](CNS(=O)(=O)Cc1c(Cl)cccc1Cl)N1CC[NH+](C)CC1 ZINC000122530696 532074103 /nfs/dbraw/zinc/07/41/03/532074103.db2.gz SXCCEUGJJUIXDI-LBPRGKRZSA-N 1 0 380.341 2.049 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000174757533 532077529 /nfs/dbraw/zinc/07/75/29/532077529.db2.gz OXEOHQJRGGPLKV-CQSZACIVSA-N 1 0 396.329 2.369 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000174720169 532075994 /nfs/dbraw/zinc/07/59/94/532075994.db2.gz WTXYDFPDXFHSCQ-CYBMUJFWSA-N 1 0 398.301 2.153 20 0 GEADRO COCC[N@H+](C)CCNc1ncnc2ccc(I)cc21 ZINC000174723008 532076230 /nfs/dbraw/zinc/07/62/30/532076230.db2.gz HKJGGNHPFBQCDQ-UHFFFAOYSA-N 1 0 386.237 2.225 20 0 GEADRO CN1CC[NH+]([C@H]2CCCCN(CC(=O)NCc3ccc(Cl)s3)C2)CC1 ZINC000174898273 532081990 /nfs/dbraw/zinc/08/19/90/532081990.db2.gz XYLBFYUHFMTHRU-HNNXBMFYSA-N 1 0 384.977 2.120 20 0 GEADRO CC[C@@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000122835185 532084630 /nfs/dbraw/zinc/08/46/30/532084630.db2.gz UWKYDLWKIFMTOH-DOMZBBRYSA-N 1 0 375.332 2.282 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000174980911 532085591 /nfs/dbraw/zinc/08/55/91/532085591.db2.gz GZRRDEUPABSSIM-CQSZACIVSA-N 1 0 396.329 2.288 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000122948241 532088398 /nfs/dbraw/zinc/08/83/98/532088398.db2.gz VFCNGYCHYUWMBV-UHFFFAOYSA-N 1 0 377.794 2.205 20 0 GEADRO C[NH+](C)C1(CNC(=O)CSCC(=O)c2ccc(Cl)cc2)CCOCC1 ZINC000175157096 532092126 /nfs/dbraw/zinc/09/21/26/532092126.db2.gz PMJLXGYHYHRQIG-UHFFFAOYSA-N 1 0 384.929 2.483 20 0 GEADRO COc1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000175204334 532092962 /nfs/dbraw/zinc/09/29/62/532092962.db2.gz DGEGOOZSAXUPIV-UHFFFAOYSA-N 1 0 389.315 2.363 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000175262276 532096295 /nfs/dbraw/zinc/09/62/95/532096295.db2.gz UYXMAZJZJBORTQ-LBPRGKRZSA-N 1 0 389.315 2.317 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000175271668 532096319 /nfs/dbraw/zinc/09/63/19/532096319.db2.gz QECKJMQVGTXZKO-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1C ZINC000175265972 532096536 /nfs/dbraw/zinc/09/65/36/532096536.db2.gz JNZMHGLFMHXWIZ-CYBMUJFWSA-N 1 0 391.331 2.147 20 0 GEADRO Cc1c(Br)cccc1S(=O)(=O)NCC1([NH+](C)C)CCOCC1 ZINC000175287623 532097259 /nfs/dbraw/zinc/09/72/59/532097259.db2.gz CFEPRTYWRHEVOF-UHFFFAOYSA-N 1 0 391.331 2.147 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000123288376 532098187 /nfs/dbraw/zinc/09/81/87/532098187.db2.gz BKBLNWUCUQSDQN-CHWSQXEVSA-N 1 0 377.304 2.396 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)CN(C)C(=O)c2ccc(Br)o2)CC[N@@H+]1C ZINC000123518296 532101417 /nfs/dbraw/zinc/10/14/17/532101417.db2.gz CPAUIAYYQNCZLU-VXGBXAGGSA-N 1 0 386.290 2.055 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1Br ZINC000124227171 532116529 /nfs/dbraw/zinc/11/65/29/532116529.db2.gz HLTBHFWOYJZLRB-NSHDSACASA-N 1 0 379.320 2.500 20 0 GEADRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000176044629 532123775 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CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000125008819 532131750 /nfs/dbraw/zinc/13/17/50/532131750.db2.gz GCOKIWHOOFJYPS-SNVBAGLBSA-N 1 0 393.303 2.016 20 0 GEADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000124977477 532131986 /nfs/dbraw/zinc/13/19/86/532131986.db2.gz PUGBWPHJJMQASB-KBPBESRZSA-N 1 0 387.571 2.001 20 0 GEADRO COC(=O)Cn1cc(CC[N@H+](Cc2csc(Br)c2)C2CC2)nn1 ZINC000125255445 532134323 /nfs/dbraw/zinc/13/43/23/532134323.db2.gz AHASCYYPMKZQGX-UHFFFAOYSA-N 1 0 399.314 2.482 20 0 GEADRO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1ccc(Br)cc1 ZINC000125446742 532136152 /nfs/dbraw/zinc/13/61/52/532136152.db2.gz MHLJAWCHHNAPBO-IUODEOHRSA-N 1 0 380.286 2.378 20 0 GEADRO Cc1cc(Br)cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000127067168 532153034 /nfs/dbraw/zinc/15/30/34/532153034.db2.gz VLEPOUIGNJYACH-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000127528830 532154606 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COc1cc(C[NH2+][C@H](C)Cn2cc(Br)cn2)ccc1OCCO ZINC000127694842 532157095 /nfs/dbraw/zinc/15/70/95/532157095.db2.gz PEHVZLYYRBDOAJ-GFCCVEGCSA-N 1 0 384.274 2.204 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000127929781 532159514 /nfs/dbraw/zinc/15/95/14/532159514.db2.gz DIOAKZAQDPDULK-LBPRGKRZSA-N 1 0 375.270 2.215 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000127927906 532159575 /nfs/dbraw/zinc/15/95/75/532159575.db2.gz LDKBNWJZZUDMBE-DOMZBBRYSA-N 1 0 398.276 2.061 20 0 GEADRO CC(C)C[C@H](NC(=O)Cc1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000127996709 532160128 /nfs/dbraw/zinc/16/01/28/532160128.db2.gz WQLWDUCPFKOBOL-INIZCTEOSA-N 1 0 398.345 2.200 20 0 GEADRO CCC[N@H+](C[C@H](O)COCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000128075142 532160961 /nfs/dbraw/zinc/16/09/61/532160961.db2.gz MCNIKKJRSBLBPS-CVEARBPZSA-N 1 0 375.918 2.117 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cncc(I)c1 ZINC000128110032 532161064 /nfs/dbraw/zinc/16/10/64/532161064.db2.gz 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/nfs/dbraw/zinc/20/29/72/532202972.db2.gz MENIBIXBHCTTHI-UHFFFAOYSA-N 1 0 388.339 2.042 20 0 GEADRO CC[NH+](CC)CCCNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000131777420 532203056 /nfs/dbraw/zinc/20/30/56/532203056.db2.gz DJFZMYJEUWFVGC-UHFFFAOYSA-N 1 0 384.278 2.144 20 0 GEADRO CCC[C@H](NC(=O)c1csc(CN)n1)C(=O)N1CCc2sccc2C1 ZINC000178489763 532203505 /nfs/dbraw/zinc/20/35/05/532203505.db2.gz QUYOXPWKARVYBV-LBPRGKRZSA-N 1 0 378.523 2.147 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178497886 532204408 /nfs/dbraw/zinc/20/44/08/532204408.db2.gz XAJLLTQSAVOZCI-LSDHHAIUSA-N 1 0 396.329 2.430 20 0 GEADRO COc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)sc1Br ZINC000179371856 532229701 /nfs/dbraw/zinc/22/97/01/532229701.db2.gz HGKIEWUFNCMBNO-SNVBAGLBSA-N 1 0 377.304 2.096 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000179413950 532230205 /nfs/dbraw/zinc/23/02/05/532230205.db2.gz WHQHJBNOBVILIP-OAHLLOKOSA-N 1 0 394.313 2.388 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c(Br)n1 ZINC000179550419 532234314 /nfs/dbraw/zinc/23/43/14/532234314.db2.gz QUSYTRDBGKTXAA-UHFFFAOYSA-N 1 0 397.317 2.281 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000179531477 532234347 /nfs/dbraw/zinc/23/43/47/532234347.db2.gz JORXUFULDJUCKX-AWEZNQCLSA-N 1 0 397.317 2.328 20 0 GEADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(I)ccc1O)C2 ZINC000179530940 532234408 /nfs/dbraw/zinc/23/44/08/532234408.db2.gz RHZIYQAXGKRDFE-NWDGAFQWSA-N 1 0 386.233 2.306 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000179550506 532234811 /nfs/dbraw/zinc/23/48/11/532234811.db2.gz SLJQFQRCWHZKQE-UHFFFAOYSA-N 1 0 397.317 2.281 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(Br)c1 ZINC000133459350 532235314 /nfs/dbraw/zinc/23/53/14/532235314.db2.gz OGZLYWMKWUZPBA-CABCVRRESA-N 1 0 380.286 2.473 20 0 GEADRO CN(C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000179079441 532221340 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Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000179852438 532248191 /nfs/dbraw/zinc/24/81/91/532248191.db2.gz MMJUENZROQNSRJ-RYUDHWBXSA-N 1 0 383.290 2.080 20 0 GEADRO Nc1nc(-n2cccn2)cc(N[C@@H](CO)c2cccc(Br)c2)[nH+]1 ZINC000179937697 532250478 /nfs/dbraw/zinc/25/04/78/532250478.db2.gz AJIKEBKBEOWYRF-LBPRGKRZSA-N 1 0 375.230 2.153 20 0 GEADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cccnc3Br)C2)CC1 ZINC000179626403 532238839 /nfs/dbraw/zinc/23/88/39/532238839.db2.gz OFTZGSNJCHYQBJ-AWEZNQCLSA-N 1 0 381.318 2.086 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000180029597 532254603 /nfs/dbraw/zinc/25/46/03/532254603.db2.gz VJTRIMRGJXQVGT-VIFPVBQESA-N 1 0 390.228 2.076 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180045560 532254617 /nfs/dbraw/zinc/25/46/17/532254617.db2.gz SXLDWYIXMIJWBO-UHFFFAOYSA-N 1 0 392.244 2.370 20 0 GEADRO Cc1nc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)sc1Br ZINC000180111796 532258315 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CC1CC[NH+](CC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000135657610 532277901 /nfs/dbraw/zinc/27/79/01/532277901.db2.gz PNILGVKBAOCYDF-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000135686493 532278779 /nfs/dbraw/zinc/27/87/79/532278779.db2.gz LSEGVTWCXPPFCN-MRXNPFEDSA-N 1 0 385.917 2.169 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1)Nc1ccccc1Cl ZINC000135687731 532278914 /nfs/dbraw/zinc/27/89/14/532278914.db2.gz DJQFHGFNXBYNMJ-AWEZNQCLSA-N 1 0 385.917 2.169 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCSc2ccc(F)cc21)NC[C@H]1CCCCO1 ZINC000180749805 532279429 /nfs/dbraw/zinc/27/94/29/532279429.db2.gz MOQKOVFAFHNBRY-ZBFHGGJFSA-N 1 0 388.530 2.441 20 0 GEADRO CN(C(=O)c1ccc(Br)cc1-n1cncn1)[C@H]1CCC[N@H+](C)C1 ZINC000135782318 532280046 /nfs/dbraw/zinc/28/00/46/532280046.db2.gz RBRATBKTUYVATL-ZDUSSCGKSA-N 1 0 378.274 2.196 20 0 GEADRO C[C@](O)(C[NH2+]Cc1cc(Br)ccc1Cl)CN1CCOCC1 ZINC000136216587 532282261 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O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000181475131 532299436 /nfs/dbraw/zinc/29/94/36/532299436.db2.gz ZCLDDIYWFUOXOT-KRWDZBQOSA-N 1 0 380.897 2.385 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000181448417 532299627 /nfs/dbraw/zinc/29/96/27/532299627.db2.gz JJOCBFAPIDSVLU-LLVKDONJSA-N 1 0 383.290 2.082 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000150721536 532301093 /nfs/dbraw/zinc/30/10/93/532301093.db2.gz AGNWOZVGEZZGEK-AWEZNQCLSA-N 1 0 385.917 2.078 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1sccc1Br ZINC000150872272 532303504 /nfs/dbraw/zinc/30/35/04/532303504.db2.gz PTCMYFKZMLLENL-SNVBAGLBSA-N 1 0 385.349 2.146 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000181677570 532304533 /nfs/dbraw/zinc/30/45/33/532304533.db2.gz NXLBKTQFKPYSSA-XHDPSFHLSA-N 1 0 378.416 2.444 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000181679193 532305106 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ZINC000182420125 532312679 /nfs/dbraw/zinc/31/26/79/532312679.db2.gz OLGZYLIDNABSFH-UHIISALHSA-N 1 0 378.416 2.048 20 0 GEADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000182529964 532314729 /nfs/dbraw/zinc/31/47/29/532314729.db2.gz LXDFCEAHBCIGHF-GFCCVEGCSA-N 1 0 378.270 2.388 20 0 GEADRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000182592083 532314915 /nfs/dbraw/zinc/31/49/15/532314915.db2.gz ZLASQDOJVBDUCX-OLZOCXBDSA-N 1 0 375.332 2.298 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000182591987 532315097 /nfs/dbraw/zinc/31/50/97/532315097.db2.gz KJPYNPUTLNCOCN-DZGCQCFKSA-N 1 0 387.343 2.442 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000182611784 532315488 /nfs/dbraw/zinc/31/54/88/532315488.db2.gz MCSZCYDTBIABRQ-MRXNPFEDSA-N 1 0 387.977 2.265 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000182606437 532315510 /nfs/dbraw/zinc/31/55/10/532315510.db2.gz VYKHBXXJALMATA-GASCZTMLSA-N 1 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395.297 2.258 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000557382223 532363061 /nfs/dbraw/zinc/36/30/61/532363061.db2.gz WYIOEXVGQSDIQU-CYBMUJFWSA-N 1 0 384.318 2.254 20 0 GEADRO Cn1cc(Br)cc(NC(=O)[C@]2([NH+](C)C)CCc3ccccc32)c1=O ZINC000371919979 532363616 /nfs/dbraw/zinc/36/36/16/532363616.db2.gz ZMRNLANLQPGXLU-SFHVURJKSA-N 1 0 390.281 2.490 20 0 GEADRO CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CCCCF ZINC000557432930 532364265 /nfs/dbraw/zinc/36/42/65/532364265.db2.gz VMXVIBAUQGHKAT-ROUUACIJSA-N 1 0 377.570 2.335 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc3c(cc2Br)OCO3)CC12CCOCC2 ZINC000621659672 532364519 /nfs/dbraw/zinc/36/45/19/532364519.db2.gz OYOBXUVCVHREBA-NSHDSACASA-N 1 0 397.269 2.005 20 0 GEADRO CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000621660743 532364816 /nfs/dbraw/zinc/36/48/16/532364816.db2.gz VDEGIIZGHTTWFR-WBMJQRKESA-N 1 0 382.302 2.214 20 0 GEADRO CC(C)Nc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000515487793 532365413 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CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1C ZINC000677191616 532366768 /nfs/dbraw/zinc/36/67/68/532366768.db2.gz ILMMODXAGZDIKI-XJKSGUPXSA-N 1 0 394.313 2.355 20 0 GEADRO CC[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000677184030 532366967 /nfs/dbraw/zinc/36/69/67/532366967.db2.gz XBFXDKAHSODTPE-ZDUSSCGKSA-N 1 0 382.302 2.122 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C[C@H]1C ZINC000677181512 532367377 /nfs/dbraw/zinc/36/73/77/532367377.db2.gz AJMVKCIDRVALCS-ZIAGYGMSSA-N 1 0 394.313 2.355 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)c3cncc(I)c3)C2)CC1 ZINC000590376147 532368828 /nfs/dbraw/zinc/36/88/28/532368828.db2.gz VQIPANYRBSXMQN-UHFFFAOYSA-N 1 0 385.249 2.244 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621866856 532369336 /nfs/dbraw/zinc/36/93/36/532369336.db2.gz LDCFAHMWMCWCOB-UHFFFAOYSA-N 1 0 399.285 2.361 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc2cncc(Br)c21)C1CC1 ZINC000278033062 532370100 /nfs/dbraw/zinc/37/01/00/532370100.db2.gz HLJKXRKHVQQCFD-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO OC[C@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCC1(F)F ZINC000463220204 532370315 /nfs/dbraw/zinc/37/03/15/532370315.db2.gz QGTALUYFWQMTKP-MFKMUULPSA-N 1 0 398.219 2.277 20 0 GEADRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1cc(C(N)=O)ccc1Br ZINC000647614766 532378539 /nfs/dbraw/zinc/37/85/39/532378539.db2.gz JKKWRWMYAGVLCZ-HNNXBMFYSA-N 1 0 393.281 2.420 20 0 GEADRO Cn1cc([C@@H](CO)[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)cn1 ZINC000294597112 532370410 /nfs/dbraw/zinc/37/04/10/532370410.db2.gz NKQPUQHZRTUTAO-HUUCEWRRSA-N 1 0 388.693 2.367 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372058753 532370498 /nfs/dbraw/zinc/37/04/98/532370498.db2.gz USFILNWFXSANLI-XJKSGUPXSA-N 1 0 389.924 2.126 20 0 GEADRO COc1cc(C[NH2+]C2CCN(C(=O)N(C)C)CC2)c(Br)cc1O ZINC000647259394 532371537 /nfs/dbraw/zinc/37/15/37/532371537.db2.gz MJMWYHJVTVNYHE-UHFFFAOYSA-N 1 0 386.290 2.399 20 0 GEADRO CN(CCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1)S(C)(=O)=O 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C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccnc1OCC(F)F ZINC000647905146 532384656 /nfs/dbraw/zinc/38/46/56/532384656.db2.gz FFONOYSOQMLBJN-STQMWFEESA-N 1 0 377.457 2.124 20 0 GEADRO O=C1[C@H]([NH+]2CCC(n3cncn3)CC2)CCN1c1cccc(Br)c1 ZINC000192072312 532384964 /nfs/dbraw/zinc/38/49/64/532384964.db2.gz WUNUNALDTMDZOD-MRXNPFEDSA-N 1 0 390.285 2.483 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000516467374 532385790 /nfs/dbraw/zinc/38/57/90/532385790.db2.gz AZBKRSCXZKYODL-NEPJUHHUSA-N 1 0 384.318 2.085 20 0 GEADRO CC[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[C@H]1[NH3+] ZINC000648124790 532386760 /nfs/dbraw/zinc/38/67/60/532386760.db2.gz CHFHWBNXWGPTDN-ZWNOBZJWSA-N 1 0 378.270 2.490 20 0 GEADRO Cn1ncc(Br)c1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000294850565 532386764 /nfs/dbraw/zinc/38/67/64/532386764.db2.gz NJTNOYBSOBUMDM-UHFFFAOYSA-N 1 0 381.274 2.053 20 0 GEADRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nn1 ZINC000463933354 532386829 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Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000465784603 532420046 /nfs/dbraw/zinc/42/00/46/532420046.db2.gz QGVRXXPXRHPIIU-JSGCOSHPSA-N 1 0 397.317 2.478 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625369138 532420700 /nfs/dbraw/zinc/42/07/00/532420700.db2.gz IVAMYVBXLGIBAQ-YUELXQCFSA-N 1 0 380.286 2.207 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C1 ZINC000372984139 532423507 /nfs/dbraw/zinc/42/35/07/532423507.db2.gz OVRMFDVYLCDSNW-QJPTWQEYSA-N 1 0 388.331 2.386 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1Br ZINC000193375705 532421897 /nfs/dbraw/zinc/42/18/97/532421897.db2.gz KGLFSSMQPDJMDC-YHWZYXNKSA-N 1 0 395.301 2.223 20 0 GEADRO COC1(CO)CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625377301 532422098 /nfs/dbraw/zinc/42/20/98/532422098.db2.gz YDSUVWNQCOAXFY-HNNXBMFYSA-N 1 0 383.286 2.176 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000193380939 532423673 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C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000560827264 532425920 /nfs/dbraw/zinc/42/59/20/532425920.db2.gz ZYRVZGYZPGNKAX-OAHLLOKOSA-N 1 0 396.329 2.066 20 0 GEADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000193534537 532426065 /nfs/dbraw/zinc/42/60/65/532426065.db2.gz VELLLGKCOPXOFZ-MBNYWOFBSA-N 1 0 380.286 2.059 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000561031868 532426864 /nfs/dbraw/zinc/42/68/64/532426864.db2.gz RQDFUKHTTLQAMK-LBPRGKRZSA-N 1 0 378.274 2.756 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000193647132 532427070 /nfs/dbraw/zinc/42/70/70/532427070.db2.gz VSIDWDHWQYCQRF-MAZHCROVSA-N 1 0 394.313 2.310 20 0 GEADRO O=C1NC[C@]2(CCCN([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)O1 ZINC000373028139 532427062 /nfs/dbraw/zinc/42/70/62/532427062.db2.gz KXDLKNADNUNTNQ-YOEHRIQHSA-N 1 0 394.269 2.129 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000427589603 532427113 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NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000517910238 532431136 /nfs/dbraw/zinc/43/11/36/532431136.db2.gz BQKFYOOHWYVPKJ-SWLSCSKDSA-N 1 0 376.931 2.132 20 0 GEADRO Cc1csc(S(=O)(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000649931286 532431269 /nfs/dbraw/zinc/43/12/69/532431269.db2.gz VLAKQHIWSGIVAB-SFHVURJKSA-N 1 0 380.535 2.314 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000193693747 532431309 /nfs/dbraw/zinc/43/13/09/532431309.db2.gz BFASXRWPRMVSAY-YXMGTMDOSA-N 1 0 394.313 2.308 20 0 GEADRO CC[NH2+]CCCNC(=O)NC[C@H](CO)Cc1cccc(Br)c1C ZINC000561204010 532431515 /nfs/dbraw/zinc/43/15/15/532431515.db2.gz AORZZJYQCRUWNY-CQSZACIVSA-N 1 0 386.334 2.207 20 0 GEADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2ccc(Br)cc2)n1 ZINC000626146934 532435283 /nfs/dbraw/zinc/43/52/83/532435283.db2.gz MNBZBQLQIKNLFD-AEGPPILISA-N 1 0 398.257 2.000 20 0 GEADRO CC(C)(O)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000295336708 532435366 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COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000427866291 532434896 /nfs/dbraw/zinc/43/48/96/532434896.db2.gz KUOFFZZEJASBER-LEWSCRJBSA-N 1 0 377.254 2.454 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000193989011 532440690 /nfs/dbraw/zinc/44/06/90/532440690.db2.gz GAVVDCMGBOZMEZ-UHFFFAOYSA-N 1 0 380.341 2.050 20 0 GEADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000427946962 532437324 /nfs/dbraw/zinc/43/73/24/532437324.db2.gz QIZAFNZQKUGYPY-JTQLQIEISA-N 1 0 377.304 2.180 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])c(Br)c1 ZINC000427953078 532437707 /nfs/dbraw/zinc/43/77/07/532437707.db2.gz UBSPELGIFNKCEC-SNVBAGLBSA-N 1 0 393.303 2.032 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccc(I)cc3)C[C@@H]21 ZINC000518361186 532439437 /nfs/dbraw/zinc/43/94/37/532439437.db2.gz MKDVIAJVFZWEHM-VHDGCEQUSA-N 1 0 384.261 2.420 20 0 GEADRO CCn1cc(Br)cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373293515 532439678 /nfs/dbraw/zinc/43/96/78/532439678.db2.gz NUVYFKIEWPBPFM-UHFFFAOYSA-N 1 0 380.290 2.986 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427959944 532439860 /nfs/dbraw/zinc/43/98/60/532439860.db2.gz YVUDXIMJHRAMMU-MWLCHTKSSA-N 1 0 379.707 2.475 20 0 GEADRO CC(C)(CO)[NH+]1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000682085016 532439994 /nfs/dbraw/zinc/43/99/94/532439994.db2.gz WYNPFLQSYHSSQR-UHFFFAOYSA-N 1 0 375.282 2.356 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F)C1CC([NH3+])C1 ZINC000626838268 532442567 /nfs/dbraw/zinc/44/25/67/532442567.db2.gz DDMFADHFOHTBGZ-UHFFFAOYSA-N 1 0 378.629 2.128 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1Br ZINC000626842945 532443205 /nfs/dbraw/zinc/44/32/05/532443205.db2.gz RWCNVHBFZYTKRE-UHFFFAOYSA-N 1 0 384.299 2.059 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000626847946 532443498 /nfs/dbraw/zinc/44/34/98/532443498.db2.gz ZQJNIJWZUSUEPZ-CYBMUJFWSA-N 1 0 388.693 2.497 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1Br ZINC000626842006 532443939 /nfs/dbraw/zinc/44/39/39/532443939.db2.gz GSNGWTXXAQCYQB-GHMZBOCLSA-N 1 0 390.278 2.007 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000626845236 532444371 /nfs/dbraw/zinc/44/43/71/532444371.db2.gz WVXLCVKTIZHXHT-CYBMUJFWSA-N 1 0 388.693 2.497 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2noc(-c3cccs3)n2)cc1 ZINC000561543273 532444572 /nfs/dbraw/zinc/44/45/72/532444572.db2.gz TVWFSJBFLXAJPO-UHFFFAOYSA-N 1 0 378.479 2.338 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000626910902 532444804 /nfs/dbraw/zinc/44/48/04/532444804.db2.gz LPKSOZJNQAFGNH-OIBJUYFYSA-N 1 0 394.191 2.273 20 0 GEADRO C[C@@H]1C[C@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)CC[N@@H+]1C ZINC000428168585 532445545 /nfs/dbraw/zinc/44/55/45/532445545.db2.gz BXBAQFJDHPJIJD-RKDXNWHRSA-N 1 0 380.283 2.130 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428029929 532441538 /nfs/dbraw/zinc/44/15/38/532441538.db2.gz GELXLWSDYVWLLW-LALPHHSUSA-N 1 0 399.276 2.302 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)CC[NH2+]1 ZINC000626839061 532441587 /nfs/dbraw/zinc/44/15/87/532441587.db2.gz ZTFAAEIPVPEWSQ-UHFFFAOYSA-N 1 0 392.297 2.038 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000626836078 532441864 /nfs/dbraw/zinc/44/18/64/532441864.db2.gz RCGUNBZNMBDRNI-ZJUUUORDSA-N 1 0 386.315 2.496 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000373316569 532442115 /nfs/dbraw/zinc/44/21/15/532442115.db2.gz FYJOUOVIHXZZBW-ZDUSSCGKSA-N 1 0 389.924 2.268 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)NCC1(c2cccc(Br)c2)CCC1 ZINC000626946170 532446694 /nfs/dbraw/zinc/44/66/94/532446694.db2.gz MJXBIHLTFMHXNY-OAHLLOKOSA-N 1 0 382.302 2.158 20 0 GEADRO CSc1cc(F)ccc1NC(=O)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000592291388 532446749 /nfs/dbraw/zinc/44/67/49/532446749.db2.gz SIDBVSIQTDIBAF-UHFFFAOYSA-N 1 0 385.530 2.430 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C[NH2+]1 ZINC000626945269 532447582 /nfs/dbraw/zinc/44/75/82/532447582.db2.gz AOBJUJOENXHHII-RISCZKNCSA-N 1 0 383.290 2.217 20 0 GEADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000467409638 532446350 /nfs/dbraw/zinc/44/63/50/532446350.db2.gz ZFAZNPMIIVJRJD-HNNXBMFYSA-N 1 0 382.917 2.409 20 0 GEADRO CSc1cc(Br)ccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270237 532449396 /nfs/dbraw/zinc/44/93/96/532449396.db2.gz DWVLNLVBRGVKRP-CHWSQXEVSA-N 1 0 385.327 2.452 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000518974379 532450289 /nfs/dbraw/zinc/45/02/89/532450289.db2.gz HYWTWGMHEFTRLQ-MRXNPFEDSA-N 1 0 394.313 2.023 20 0 GEADRO CC[C@H]1CN(C(=O)COc2ccc(I)cc2)CC[C@H]1[NH3+] ZINC000592330430 532450941 /nfs/dbraw/zinc/45/09/41/532450941.db2.gz AOBKKKLHZLHKOG-SMDDNHRTSA-N 1 0 388.249 2.256 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(C)c(I)c1 ZINC000592368794 532452549 /nfs/dbraw/zinc/45/25/49/532452549.db2.gz WMPCPSYSMAWWGD-UHFFFAOYSA-N 1 0 396.294 2.395 20 0 GEADRO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000373565680 532457480 /nfs/dbraw/zinc/45/74/80/532457480.db2.gz DRFXMYQFUDVZCV-QWHCGFSZSA-N 1 0 388.917 2.402 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000627826237 532457492 /nfs/dbraw/zinc/45/74/92/532457492.db2.gz RXTKZYSSVKGFET-CYBMUJFWSA-N 1 0 394.313 2.186 20 0 GEADRO CN1CCC[C@H](CNC(=O)NCC2(S(C)(=O)=O)CC2)[C@H]1c1cccs1 ZINC000373481707 532452905 /nfs/dbraw/zinc/45/29/05/532452905.db2.gz FOKMLKZVRZVAGD-HIFRSBDPSA-N 1 0 385.555 2.007 20 0 GEADRO COCC[NH2+]C1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000650705558 532453286 /nfs/dbraw/zinc/45/32/86/532453286.db2.gz LKSXGWKHPRXQNA-UHFFFAOYSA-N 1 0 385.302 2.421 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000467766423 532454709 /nfs/dbraw/zinc/45/47/09/532454709.db2.gz BGQGAZCIVRELRA-LLVKDONJSA-N 1 0 376.906 2.381 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ncc(Br)cc1F ZINC000373528971 532455844 /nfs/dbraw/zinc/45/58/44/532455844.db2.gz KFHYDCDERHGJBT-PUTJDCORSA-N 1 0 399.264 2.354 20 0 GEADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428626006 532455999 /nfs/dbraw/zinc/45/59/99/532455999.db2.gz HYWSFTHLTHATPD-AWEZNQCLSA-N 1 0 394.313 2.042 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000519097264 532456288 /nfs/dbraw/zinc/45/62/88/532456288.db2.gz AAPQVUHFVDAALO-UHFFFAOYSA-N 1 0 397.547 2.197 20 0 GEADRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428796692 532462002 /nfs/dbraw/zinc/46/20/02/532462002.db2.gz MSJOLRVSIPZBEL-LLVKDONJSA-N 1 0 394.324 2.288 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)N[C@H](CO)CCF)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000650997582 532459124 /nfs/dbraw/zinc/45/91/24/532459124.db2.gz IVOUTDWSTMADQX-WWGRRREGSA-N 1 0 375.847 2.492 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)NC[C@@H](CO)Cc1ccccc1Br ZINC000428760486 532460516 /nfs/dbraw/zinc/46/05/16/532460516.db2.gz SHNGPUBWGSWRSY-HNNXBMFYSA-N 1 0 398.345 2.385 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000468302519 532461301 /nfs/dbraw/zinc/46/13/01/532461301.db2.gz IQHSBWWXDFSQNX-ZDUSSCGKSA-N 1 0 384.318 2.272 20 0 GEADRO O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000683620354 532463527 /nfs/dbraw/zinc/46/35/27/532463527.db2.gz RKOLVPQPNDYNPV-OCCSQVGLSA-N 1 0 378.270 2.182 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(S(C)(=O)=O)s1)C1CCCCC1 ZINC000468428036 532464395 /nfs/dbraw/zinc/46/43/95/532464395.db2.gz QHBVXSWEIVMVKS-OAHLLOKOSA-N 1 0 387.571 2.461 20 0 GEADRO O=S1(=O)CCC(O)(CN2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000519518119 532465758 /nfs/dbraw/zinc/46/57/58/532465758.db2.gz WVAHLUOJOYEDOW-OAHLLOKOSA-N 1 0 375.943 2.446 20 0 GEADRO CC(C)[C@@H](C(=O)N1CCC(O)(c2scnc2Br)CC1)[NH+](C)C ZINC000373748051 532466027 /nfs/dbraw/zinc/46/60/27/532466027.db2.gz YGNAWVVXZYPWKL-NSHDSACASA-N 1 0 390.347 2.302 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)NCc2ccc(S(C)(=O)=O)s2)([NH+](C)C)C1 ZINC000468533437 532466629 /nfs/dbraw/zinc/46/66/29/532466629.db2.gz VIJGUYCCJNFLJT-DYVFJYSZSA-N 1 0 387.571 2.461 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2cc(Br)cs2)C1 ZINC000683910039 532466875 /nfs/dbraw/zinc/46/68/75/532466875.db2.gz FZVOELXETXJMAX-HNNXBMFYSA-N 1 0 375.332 2.358 20 0 GEADRO CC[N@H+](CC(=O)Nc1ccc(I)cc1C)[C@H](C)CO ZINC000428863096 532462951 /nfs/dbraw/zinc/46/29/51/532462951.db2.gz PKNQVEGAQACBNA-LLVKDONJSA-N 1 0 376.238 2.241 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000468327966 532463063 /nfs/dbraw/zinc/46/30/63/532463063.db2.gz HVEOLPUCXUHZGT-JSGCOSHPSA-N 1 0 399.333 2.064 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c(F)ccc(Br)c1F ZINC000295619324 532463113 /nfs/dbraw/zinc/46/31/13/532463113.db2.gz YMHHKEFSDFIVLB-SNVBAGLBSA-N 1 0 377.229 2.304 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000468346644 532463177 /nfs/dbraw/zinc/46/31/77/532463177.db2.gz PDMPLJFIDGLIKU-UHFFFAOYSA-N 1 0 389.949 2.487 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2ccc(C(F)(F)F)s2)cn1 ZINC000428875275 532463207 /nfs/dbraw/zinc/46/32/07/532463207.db2.gz FIALAXWQPHQJTE-UHFFFAOYSA-N 1 0 375.420 2.253 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CN1C1CC1 ZINC000519536410 532467704 /nfs/dbraw/zinc/46/77/04/532467704.db2.gz KCKRJNKLWSBUSA-TZMCWYRMSA-N 1 0 387.343 2.438 20 0 GEADRO COC(=O)CN1CCC([NH2+]C[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000468553052 532468362 /nfs/dbraw/zinc/46/83/62/532468362.db2.gz JESRXXBQEIUYHT-CYBMUJFWSA-N 1 0 385.302 2.443 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 ZINC000428984833 532468577 /nfs/dbraw/zinc/46/85/77/532468577.db2.gz ITQAOMZCWXBVBF-LLVKDONJSA-N 1 0 380.901 2.324 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@@H](CO)Cc2ccccc2Br)CCC1 ZINC000428993917 532468634 /nfs/dbraw/zinc/46/86/34/532468634.db2.gz BGPHPLUHOLAXEA-AWEZNQCLSA-N 1 0 398.345 2.384 20 0 GEADRO O=C(CSc1cccc2cccc(Cl)c21)NCC(=O)N1CC[NH2+]CC1 ZINC000562509844 532468831 /nfs/dbraw/zinc/46/88/31/532468831.db2.gz PVOBQURNTWDGEO-UHFFFAOYSA-N 1 0 377.897 2.133 20 0 GEADRO O=C(CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O)Nc1ccc(Br)cc1F ZINC000593102733 532469995 /nfs/dbraw/zinc/46/99/95/532469995.db2.gz UYDQHWSNQLGIEI-ZPMVXHMNSA-N 1 0 375.263 2.122 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000429069792 532470118 /nfs/dbraw/zinc/47/01/18/532470118.db2.gz AUXWONDLUGUWBG-ZDUSSCGKSA-N 1 0 394.313 2.109 20 0 GEADRO OCCCN1CCC[C@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000519608396 532470548 /nfs/dbraw/zinc/47/05/48/532470548.db2.gz NFQSWQFIVWRAIM-GJZGRUSLSA-N 1 0 377.312 2.170 20 0 GEADRO Cn1ncc(Cl)c1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000373790613 532470618 /nfs/dbraw/zinc/47/06/18/532470618.db2.gz OVNLNJMHKFNZKU-OAHLLOKOSA-N 1 0 382.917 2.264 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1[nH]nc2ccc(I)cc21 ZINC000429218781 532471085 /nfs/dbraw/zinc/47/10/85/532471085.db2.gz WNFXMVVVFCMGIE-JTQLQIEISA-N 1 0 398.248 2.287 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H]3CNc4ccnn4C3)nc12 ZINC000684200700 532471637 /nfs/dbraw/zinc/47/16/37/532471637.db2.gz LDBFMWLDHMAPPL-ZDUSSCGKSA-N 1 0 389.301 2.476 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000684175239 532471757 /nfs/dbraw/zinc/47/17/57/532471757.db2.gz QMJNVGHYRLNLFP-QGZVFWFLSA-N 1 0 380.286 2.459 20 0 GEADRO COc1ccc(CCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1Br ZINC000683909633 532467635 /nfs/dbraw/zinc/46/76/35/532467635.db2.gz MCBIPEQHIYYFLL-SFHVURJKSA-N 1 0 399.329 2.305 20 0 GEADRO COCCN1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429451874 532476775 /nfs/dbraw/zinc/47/67/75/532476775.db2.gz MUTFVHUOUCMMQQ-INIZCTEOSA-N 1 0 385.346 2.301 20 0 GEADRO Cc1cc(Br)sc1S(=O)(=O)NCC1([NH+](C)C)CCOCC1 ZINC000651561012 532476937 /nfs/dbraw/zinc/47/69/37/532476937.db2.gz VUTBZNKTZFFDCY-UHFFFAOYSA-N 1 0 397.360 2.208 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)COc1cccc(I)c1 ZINC000468846453 532477111 /nfs/dbraw/zinc/47/71/11/532477111.db2.gz FOOYPFUKZWJONV-LLVKDONJSA-N 1 0 376.238 2.126 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)C1 ZINC000429453669 532477354 /nfs/dbraw/zinc/47/73/54/532477354.db2.gz ODAHISASFKXKID-BBRMVZONSA-N 1 0 396.329 2.271 20 0 GEADRO C[NH2+]CC1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000429472442 532478175 /nfs/dbraw/zinc/47/81/75/532478175.db2.gz PHINSUHUURINHZ-LBPRGKRZSA-N 1 0 382.302 2.025 20 0 GEADRO CC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@H](O)C(F)F ZINC000519773789 532478737 /nfs/dbraw/zinc/47/87/37/532478737.db2.gz LPVWVUJOFDPBHG-DRZSPHRISA-N 1 0 386.208 2.322 20 0 GEADRO O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000282564988 532479403 /nfs/dbraw/zinc/47/94/03/532479403.db2.gz BKCYEUOIJFSBKC-CQSZACIVSA-N 1 0 394.313 2.056 20 0 GEADRO CC[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612121 532479817 /nfs/dbraw/zinc/47/98/17/532479817.db2.gz QECDYRLSAFBRKB-BBRMVZONSA-N 1 0 390.933 2.342 20 0 GEADRO CC[C@H]([NH2+]CC1(OC)CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684611742 532480423 /nfs/dbraw/zinc/48/04/23/532480423.db2.gz KZOVARVARMPMDU-HNNXBMFYSA-N 1 0 390.933 2.484 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000629175150 532481144 /nfs/dbraw/zinc/48/11/44/532481144.db2.gz JUQUDOSNDQISPT-SNVBAGLBSA-N 1 0 386.677 2.380 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000562800538 532483444 /nfs/dbraw/zinc/48/34/44/532483444.db2.gz ATEAUXJSGULMSV-ZIAGYGMSSA-N 1 0 381.318 2.469 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000562806024 532483549 /nfs/dbraw/zinc/48/35/49/532483549.db2.gz HZTMWSMRTNEVFN-JKSUJKDBSA-N 1 0 399.308 2.242 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000429905676 532484208 /nfs/dbraw/zinc/48/42/08/532484208.db2.gz CXAGNUVQBJNCSS-KRWDZBQOSA-N 1 0 395.301 2.067 20 0 GEADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000684823296 532484627 /nfs/dbraw/zinc/48/46/27/532484627.db2.gz RPEKBCGZYKBZDB-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000520182806 532484625 /nfs/dbraw/zinc/48/46/25/532484625.db2.gz GQQIBPQKJIAAKZ-GXTWGEPZSA-N 1 0 383.286 2.291 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000562837589 532484883 /nfs/dbraw/zinc/48/48/83/532484883.db2.gz PCPQJRUGMRYRAJ-UKRRQHHQSA-N 1 0 391.317 2.389 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]CC(C)(C)c2ccccc2Br)nn1 ZINC000295892199 532485056 /nfs/dbraw/zinc/48/50/56/532485056.db2.gz YMYGCJSKVIEPKD-UHFFFAOYSA-N 1 0 381.274 2.281 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000562816046 532484944 /nfs/dbraw/zinc/48/49/44/532484944.db2.gz NGLUMTQSVVQKAH-OAHLLOKOSA-N 1 0 397.317 2.242 20 0 GEADRO COCC[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811274 532485468 /nfs/dbraw/zinc/48/54/68/532485468.db2.gz HRQPKIBHYWZLSW-BBRMVZONSA-N 1 0 389.327 2.355 20 0 GEADRO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000520182809 532485452 /nfs/dbraw/zinc/48/54/52/532485452.db2.gz GQQIBPQKJIAAKZ-TZMCWYRMSA-N 1 0 383.286 2.291 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1OC ZINC000221862544 532485535 /nfs/dbraw/zinc/48/55/35/532485535.db2.gz ZRJRKPLDUULDDR-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO CC[NH+](CC)CCN(C(=O)Cc1cnn(C)c1)c1ccc(Br)cn1 ZINC000684842610 532486102 /nfs/dbraw/zinc/48/61/02/532486102.db2.gz OQPBTIKDNGAZFQ-UHFFFAOYSA-N 1 0 394.317 2.495 20 0 GEADRO C[C@@H](NC(=O)C[NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(Br)cc1 ZINC000282660407 532486353 /nfs/dbraw/zinc/48/63/53/532486353.db2.gz BOBBBGXJOLTCOW-DOMZBBRYSA-N 1 0 394.313 2.417 20 0 GEADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000282660134 532486902 /nfs/dbraw/zinc/48/69/02/532486902.db2.gz PWOPHELUOUNEPL-UHFFFAOYSA-N 1 0 387.933 2.181 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000374083681 532487713 /nfs/dbraw/zinc/48/77/13/532487713.db2.gz MVFPVUJRJJJTKJ-HIFRSBDPSA-N 1 0 388.917 2.128 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000593563644 532488500 /nfs/dbraw/zinc/48/85/00/532488500.db2.gz QCSLGISWKZFSSV-CQSZACIVSA-N 1 0 389.924 2.268 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000469060998 532488856 /nfs/dbraw/zinc/48/88/56/532488856.db2.gz QSMJZRGALSNNSA-HNNXBMFYSA-N 1 0 382.302 2.212 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)cc(Br)c3)[C@H]2C1 ZINC000651712156 532489657 /nfs/dbraw/zinc/48/96/57/532489657.db2.gz YFKTWQPSZUVYQP-RNCFNFMXSA-N 1 0 386.677 2.204 20 0 GEADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1nnc2ccc(Br)cn21 ZINC000295963225 532491036 /nfs/dbraw/zinc/49/10/36/532491036.db2.gz RVKMPWXNQIVVOT-CQSZACIVSA-N 1 0 396.289 2.224 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)ccc2Br)CCC1 ZINC000230052838 532491099 /nfs/dbraw/zinc/49/10/99/532491099.db2.gz FBXKNKHFKGOGJL-UHFFFAOYSA-N 1 0 398.120 2.371 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cncc(OC)c1 ZINC000282716476 532491357 /nfs/dbraw/zinc/49/13/57/532491357.db2.gz TZVOXOAWZDEYQN-UHFFFAOYSA-N 1 0 383.436 2.375 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000229628215 532491663 /nfs/dbraw/zinc/49/16/63/532491663.db2.gz YTYICDABSIGHAG-UHFFFAOYSA-N 1 0 377.304 2.268 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000469099683 532491812 /nfs/dbraw/zinc/49/18/12/532491812.db2.gz WHSZXPAWYZTFTR-CYBMUJFWSA-N 1 0 390.933 2.468 20 0 GEADRO O=C(c1nn(-c2cccc(Br)c2)c2c1CCC2)N1CC[NH2+]CC1 ZINC000236676599 532493189 /nfs/dbraw/zinc/49/31/89/532493189.db2.gz IDNINBRVVWWHDP-UHFFFAOYSA-N 1 0 375.270 2.169 20 0 GEADRO Cc1cnc([C@@H]2CCC[N@H+](CCOc3ccc(S(N)(=O)=O)cc3)C2)s1 ZINC000374231497 532494100 /nfs/dbraw/zinc/49/41/00/532494100.db2.gz WCANRGKOFJCNAW-CQSZACIVSA-N 1 0 381.523 2.357 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N[C@@](C)(C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000236702435 532494112 /nfs/dbraw/zinc/49/41/12/532494112.db2.gz KJLZIWKETYOHKF-RDJZCZTQSA-N 1 0 382.302 2.260 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236717121 532494162 /nfs/dbraw/zinc/49/41/62/532494162.db2.gz MYUVGZOGHLXIHG-UONOGXRCSA-N 1 0 384.343 2.239 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)cc1Cl ZINC000236722317 532494195 /nfs/dbraw/zinc/49/41/95/532494195.db2.gz JOLATNRKMQNRBO-HNNXBMFYSA-N 1 0 379.885 2.479 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236714370 532494212 /nfs/dbraw/zinc/49/42/12/532494212.db2.gz YVKZZYWFAIZMCC-WMLDXEAASA-N 1 0 396.329 2.160 20 0 GEADRO O[C@H](C[NH2+][C@H](Cc1cccc(Br)c1)CC1CC1)CN1CCOCC1 ZINC000563014352 532494648 /nfs/dbraw/zinc/49/46/48/532494648.db2.gz UHRRKVOCWBRHNH-RBUKOAKNSA-N 1 0 397.357 2.443 20 0 GEADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430220353 532494763 /nfs/dbraw/zinc/49/47/63/532494763.db2.gz QXPIINKMGOIOQH-CQSZACIVSA-N 1 0 387.249 2.404 20 0 GEADRO CCc1n[nH]c(C(=O)N(CCOC)CC[NH+](CC)CC)c1Br ZINC000469219814 532497290 /nfs/dbraw/zinc/49/72/90/532497290.db2.gz NNWJIQSEVHKQSQ-UHFFFAOYSA-N 1 0 375.311 2.165 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236717154 532495259 /nfs/dbraw/zinc/49/52/59/532495259.db2.gz MYUVGZOGHLXIHG-KBPBESRZSA-N 1 0 384.343 2.239 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000236687489 532495400 /nfs/dbraw/zinc/49/54/00/532495400.db2.gz HPEDIWYWBKGDSK-CJNGLKHVSA-N 1 0 382.302 2.214 20 0 GEADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C(=O)NCCF ZINC000282777304 532495909 /nfs/dbraw/zinc/49/59/09/532495909.db2.gz VHZSPFRXSXFZGM-CYBMUJFWSA-N 1 0 386.309 2.477 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469201811 532495945 /nfs/dbraw/zinc/49/59/45/532495945.db2.gz OYISXRRBMILSFG-SMDDNHRTSA-N 1 0 378.270 2.228 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000236772597 532496099 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CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1cccc(Br)c1 ZINC000429452515 532476217 /nfs/dbraw/zinc/47/62/17/532476217.db2.gz NSHDYFURYOYWKB-CQSZACIVSA-N 1 0 378.336 2.322 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000429450328 532476240 /nfs/dbraw/zinc/47/62/40/532476240.db2.gz LAEYTQJUSRRSFI-SNVBAGLBSA-N 1 0 382.299 2.071 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc[nH]c(=O)c2Br)C[C@H](C)O1 ZINC000468805726 532476439 /nfs/dbraw/zinc/47/64/39/532476439.db2.gz CTXOAYPIIGAPNH-FRRDWIJNSA-N 1 0 398.301 2.264 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469380857 532502397 /nfs/dbraw/zinc/50/23/97/532502397.db2.gz HEXWBHHQSQZDLZ-SMDDNHRTSA-N 1 0 380.286 2.428 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000236972390 532502745 /nfs/dbraw/zinc/50/27/45/532502745.db2.gz GWJXHEUVGKRMRM-ZFWWWQNUSA-N 1 0 387.933 2.228 20 0 GEADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000237047476 532502793 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395.308 2.399 20 0 GEADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000296259875 532509834 /nfs/dbraw/zinc/50/98/34/532509834.db2.gz LUOJBZUCUGIZRR-QGZVFWFLSA-N 1 0 384.885 2.032 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594484341 532510741 /nfs/dbraw/zinc/51/07/41/532510741.db2.gz PTOJVWPEVWRRKC-LSDHHAIUSA-N 1 0 386.901 2.422 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1Cl ZINC000652385369 532510812 /nfs/dbraw/zinc/51/08/12/532510812.db2.gz GTZORGJGFDSVPR-UHFFFAOYSA-N 1 0 377.869 2.106 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652384850 532511041 /nfs/dbraw/zinc/51/10/41/532511041.db2.gz QCMNXVWGGHSWJZ-KFWWJZLASA-N 1 0 388.917 2.398 20 0 GEADRO O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CC[NH2+]CC1 ZINC000237706705 532511066 /nfs/dbraw/zinc/51/10/66/532511066.db2.gz ZNMSHVASNLGUSS-GFCCVEGCSA-N 1 0 376.810 2.448 20 0 GEADRO Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 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/nfs/dbraw/zinc/49/97/66/532499766.db2.gz MBCKCAYTIYOIBI-SECBINFHSA-N 1 0 383.283 2.073 20 0 GEADRO CC[NH+]1CCC(CNC(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000520844920 532499995 /nfs/dbraw/zinc/49/99/95/532499995.db2.gz SNMPMDAYPYEZTJ-UHFFFAOYSA-N 1 0 397.317 2.419 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000563351176 532500684 /nfs/dbraw/zinc/50/06/84/532500684.db2.gz WTGGSKARMPCVDP-WDEREUQCSA-N 1 0 376.320 2.015 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000563351175 532500992 /nfs/dbraw/zinc/50/09/92/532500992.db2.gz WTGGSKARMPCVDP-QWRGUYRKSA-N 1 0 376.320 2.015 20 0 GEADRO NC(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)nc1Cl ZINC000282859012 532501185 /nfs/dbraw/zinc/50/11/85/532501185.db2.gz CNMFTIMMPJOOHK-CYBMUJFWSA-N 1 0 378.885 2.462 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000430627856 532501289 /nfs/dbraw/zinc/50/12/89/532501289.db2.gz UOFUDPIDUCQWOB-ZDUSSCGKSA-N 1 0 375.332 2.154 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CCC=C(Br)C1 ZINC000282862883 532501365 /nfs/dbraw/zinc/50/13/65/532501365.db2.gz XUTMZBKPNGGSNA-QGZVFWFLSA-N 1 0 394.313 2.447 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000430601986 532501542 /nfs/dbraw/zinc/50/15/42/532501542.db2.gz FWQPOXNYAAKCCK-HNNXBMFYSA-N 1 0 396.329 2.463 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000430604064 532501788 /nfs/dbraw/zinc/50/17/88/532501788.db2.gz LSZJMMHAWSKATE-DOMZBBRYSA-N 1 0 375.332 2.425 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]CCc2ccc(Br)cc2Cl)nn1 ZINC000296095981 532501928 /nfs/dbraw/zinc/50/19/28/532501928.db2.gz RLMCUOHYGYGLHL-UHFFFAOYSA-N 1 0 387.665 2.199 20 0 GEADRO C[C@H](c1cccs1)N(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629791257 532501904 /nfs/dbraw/zinc/50/19/04/532501904.db2.gz UJEXAZFZLWLBOQ-UTUOFQBUSA-N 1 0 377.432 2.253 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000375105979 532535154 /nfs/dbraw/zinc/53/51/54/532535154.db2.gz PGVHZRKOVXMYLP-UWVGGRQHSA-N 1 0 385.686 2.423 20 0 GEADRO NC(=O)c1cccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000432335073 532535200 /nfs/dbraw/zinc/53/52/00/532535200.db2.gz JHHGFNDLTSFUPZ-MRXNPFEDSA-N 1 0 388.265 2.443 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000283374203 532536158 /nfs/dbraw/zinc/53/61/58/532536158.db2.gz ZHOOWZHCKLDSQX-ZDUSSCGKSA-N 1 0 399.207 2.390 20 0 GEADRO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000653617148 532537434 /nfs/dbraw/zinc/53/74/34/532537434.db2.gz YMERECFQOXDXRK-FZMZJTMJSA-N 1 0 383.290 2.462 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000246299221 532537537 /nfs/dbraw/zinc/53/75/37/532537537.db2.gz NVYAATSCONDSMZ-KCQAQPDRSA-N 1 0 394.313 2.436 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000564933456 532538134 /nfs/dbraw/zinc/53/81/34/532538134.db2.gz UIMXDAVUSGZRNW-OAHLLOKOSA-N 1 0 394.313 2.027 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)NC(=O)NC1CC1 ZINC000283415020 532539150 /nfs/dbraw/zinc/53/91/50/532539150.db2.gz GHXHOQLVVGADKJ-RNCFNFMXSA-N 1 0 382.258 2.239 20 0 GEADRO C[C@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000246471405 532539937 /nfs/dbraw/zinc/53/99/37/532539937.db2.gz OCCRVGQWXVJDFC-VXGBXAGGSA-N 1 0 385.306 2.390 20 0 GEADRO O[C@@H](CN[C@@H]1CCc2ccc(I)cc21)C[NH+]1CCCC1 ZINC000595017261 532540472 /nfs/dbraw/zinc/54/04/72/532540472.db2.gz LEQIQYYEXUQDSW-GOEBONIOSA-N 1 0 386.277 2.325 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCc2ccc(I)cc21)c1ccn[nH]1 ZINC000595031794 532540501 /nfs/dbraw/zinc/54/05/01/532540501.db2.gz FFJCYXMLZNOCGL-ZDUSSCGKSA-N 1 0 396.232 2.021 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000564958153 532540640 /nfs/dbraw/zinc/54/06/40/532540640.db2.gz SPKGKTZVZICXDW-ZYHUDNBSSA-N 1 0 389.905 2.055 20 0 GEADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000595021349 532541074 /nfs/dbraw/zinc/54/10/74/532541074.db2.gz CHILGTCLGJWQFA-GFCCVEGCSA-N 1 0 376.544 2.292 20 0 GEADRO OC1CCN(CC[NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595051852 532542074 /nfs/dbraw/zinc/54/20/74/532542074.db2.gz PABZVNCVUBNAQQ-MRXNPFEDSA-N 1 0 386.277 2.325 20 0 GEADRO C[C@@H](NC(=O)[C@@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000653825001 532542690 /nfs/dbraw/zinc/54/26/90/532542690.db2.gz PGVJWGOPONSIFK-RJZRQDKASA-N 1 0 386.323 2.310 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNCc2ncc(Br)cc2Cl)C1 ZINC000631065031 532543001 /nfs/dbraw/zinc/54/30/01/532543001.db2.gz SJXPUIMABRVLNA-NSHDSACASA-N 1 0 389.725 2.175 20 0 GEADRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)N[C@H]2CCSC2)c2cccs2)CC1 ZINC000283507406 532543003 /nfs/dbraw/zinc/54/30/03/532543003.db2.gz PYHBWTHKGAAZFG-GJZGRUSLSA-N 1 0 381.567 2.259 20 0 GEADRO O[C@@H]1C[C@H]2CN(Cc3cc(Br)ccc3OC(F)F)CC[N@@H+]2C1 ZINC000653825623 532543217 /nfs/dbraw/zinc/54/32/17/532543217.db2.gz CLWMEIBNMUZRKC-QWHCGFSZSA-N 1 0 377.229 2.301 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000653846762 532543243 /nfs/dbraw/zinc/54/32/43/532543243.db2.gz NQOYXZMVRCYIGK-KRWDZBQOSA-N 1 0 398.301 2.019 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccsc2Br)C[C@@H]1C ZINC000283489376 532543341 /nfs/dbraw/zinc/54/33/41/532543341.db2.gz XWQIMKWKVFHCTK-WDEREUQCSA-N 1 0 376.320 2.107 20 0 GEADRO C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000283495811 532543626 /nfs/dbraw/zinc/54/36/26/532543626.db2.gz IGVIUZRKNPZJJZ-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000527018852 532544288 /nfs/dbraw/zinc/54/42/88/532544288.db2.gz LBIALMIPQOXQAH-CQSZACIVSA-N 1 0 392.297 2.180 20 0 GEADRO CSc1ccccc1S(=O)(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000375248185 532544332 /nfs/dbraw/zinc/54/43/32/532544332.db2.gz DLYJCUUNRBLNQN-MRXNPFEDSA-N 1 0 383.583 2.057 20 0 GEADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000283523321 532544594 /nfs/dbraw/zinc/54/45/94/532544594.db2.gz NFPCQFMLEJLQQT-ZWNOBZJWSA-N 1 0 384.274 2.485 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)ccc1Cl ZINC000631142455 532544778 /nfs/dbraw/zinc/54/47/78/532544778.db2.gz MIEXXYPENDKKEX-ZDUSSCGKSA-N 1 0 383.876 2.495 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000470055204 532520188 /nfs/dbraw/zinc/52/01/88/532520188.db2.gz GCOXZMRJBMMBNU-UHFFFAOYSA-N 1 0 398.345 2.484 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000296411610 532520377 /nfs/dbraw/zinc/52/03/77/532520377.db2.gz KWJOSPNRWBRBJF-IUODEOHRSA-N 1 0 380.293 2.346 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(c3cc4nccc(Cl)c4cc3Br)CCN2C1=O ZINC000594700898 532520840 /nfs/dbraw/zinc/52/08/40/532520840.db2.gz IBTLVOQRYHDHFF-TVQRCGJNSA-N 1 0 395.688 2.399 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCC(=O)NC1 ZINC000470160448 532521907 /nfs/dbraw/zinc/52/19/07/532521907.db2.gz DAUDVCVTNUPHIM-VIFPVBQESA-N 1 0 377.080 2.162 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@]2(O)CCS(=O)(=O)C2)ccc1SC(F)F ZINC000296458462 532522584 /nfs/dbraw/zinc/52/25/84/532522584.db2.gz NCVIDGLZIPVNNP-ZUZCIYMTSA-N 1 0 381.466 2.210 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245712843 532522674 /nfs/dbraw/zinc/52/26/74/532522674.db2.gz ZUADSLAYOFCJGA-DLBZAZTESA-N 1 0 384.567 2.423 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)C1 ZINC000374907969 532522975 /nfs/dbraw/zinc/52/29/75/532522975.db2.gz CVTCKYIQLZZMQG-CABCVRRESA-N 1 0 383.583 2.483 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccncc2I)C1 ZINC000245716609 532523310 /nfs/dbraw/zinc/52/33/10/532523310.db2.gz QGVROFHYSGVKQS-SMDDNHRTSA-N 1 0 385.249 2.243 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1nnc(-c2cccc(F)c2)s1 ZINC000374911791 532523530 /nfs/dbraw/zinc/52/35/30/532523530.db2.gz LMBRIDDQFZBMKC-NWDGAFQWSA-N 1 0 384.502 2.276 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000283181353 532523793 /nfs/dbraw/zinc/52/37/93/532523793.db2.gz JUYGPAORMJOXTH-RBSFLKMASA-N 1 0 376.316 2.428 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)c(Br)c1 ZINC000564477444 532524343 /nfs/dbraw/zinc/52/43/43/532524343.db2.gz LWSAAAFEHZZWEM-UHFFFAOYSA-N 1 0 390.299 2.150 20 0 GEADRO O=C(CCOc1cccc(Br)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296533328 532525852 /nfs/dbraw/zinc/52/58/52/532525852.db2.gz WXVJBDLZLBSEBJ-OAHLLOKOSA-N 1 0 385.302 2.181 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000431965994 532525960 /nfs/dbraw/zinc/52/59/60/532525960.db2.gz SHTVPBQHIGSTJV-GFCCVEGCSA-N 1 0 380.286 2.357 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000283224961 532526353 /nfs/dbraw/zinc/52/63/53/532526353.db2.gz JMUNAVZQTYJJSU-UHFFFAOYSA-N 1 0 379.258 2.004 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc2cc(Br)ccc2o1 ZINC000296520159 532526497 /nfs/dbraw/zinc/52/64/97/532526497.db2.gz PWJJPVXNKSDXJP-BONVTDFDSA-N 1 0 388.283 2.396 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cn2ccc(Br)cc2n1 ZINC000564536997 532526510 /nfs/dbraw/zinc/52/65/10/532526510.db2.gz MHCUDHNAZLOHQG-CYBMUJFWSA-N 1 0 381.318 2.374 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245934167 532527030 /nfs/dbraw/zinc/52/70/30/532527030.db2.gz PSXLUZRUJLQHIO-NHYWBVRUSA-N 1 0 388.249 2.465 20 0 GEADRO CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C1(C)C ZINC000245921094 532527150 /nfs/dbraw/zinc/52/71/50/532527150.db2.gz QUABILIJRFHHFZ-RBSFLKMASA-N 1 0 375.556 2.312 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000245983381 532528672 /nfs/dbraw/zinc/52/86/72/532528672.db2.gz BLGQBAVUFTUXQS-HIFRSBDPSA-N 1 0 387.343 2.442 20 0 GEADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000653068962 532529083 /nfs/dbraw/zinc/52/90/83/532529083.db2.gz YLXZZMPKYFJEER-SNVBAGLBSA-N 1 0 376.404 2.455 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3cccc(I)c3)C[C@H]21 ZINC000375033977 532529294 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COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000375615236 532569080 /nfs/dbraw/zinc/56/90/80/532569080.db2.gz VMNWBFWAVUOHQU-NWANDNLSSA-N 1 0 388.917 2.113 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000297128263 532569217 /nfs/dbraw/zinc/56/92/17/532569217.db2.gz ZEOMBIGNVYCBBS-INIZCTEOSA-N 1 0 386.279 2.059 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000375615205 532569230 /nfs/dbraw/zinc/56/92/30/532569230.db2.gz VMNWBFWAVUOHQU-AEGPPILISA-N 1 0 388.917 2.113 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000247263910 532546989 /nfs/dbraw/zinc/54/69/89/532546989.db2.gz XHCPTPPSTRODLH-KGLIPLIRSA-N 1 0 394.313 2.260 20 0 GEADRO OCC[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1ccccc1Br ZINC000432864847 532547153 /nfs/dbraw/zinc/54/71/53/532547153.db2.gz GVEYSOUGBFTNOG-MFKMUULPSA-N 1 0 386.208 2.402 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000565077795 532547428 /nfs/dbraw/zinc/54/74/28/532547428.db2.gz RBDLDUAQPGXLTL-UHFFFAOYSA-N 1 0 382.675 2.016 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000296838703 532548124 /nfs/dbraw/zinc/54/81/24/532548124.db2.gz RTVGTPWCAXORLF-ZYHUDNBSSA-N 1 0 379.262 2.192 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000565098393 532548450 /nfs/dbraw/zinc/54/84/50/532548450.db2.gz JKSAPMMGBZMYEL-UHFFFAOYSA-N 1 0 386.290 2.065 20 0 GEADRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000527289749 532548467 /nfs/dbraw/zinc/54/84/67/532548467.db2.gz QOQMEAUZAZHVLC-CYBMUJFWSA-N 1 0 380.539 2.132 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000654075604 532548556 /nfs/dbraw/zinc/54/85/56/532548556.db2.gz PDVFVASILTXHRB-MLGOLLRUSA-N 1 0 387.293 2.340 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2nc(C)sc2Br)CC1 ZINC000565556289 532569604 /nfs/dbraw/zinc/56/96/04/532569604.db2.gz IRKRVEWEIZSGGI-NSHDSACASA-N 1 0 389.363 2.217 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(Br)ccc2=O)[C@H]1c1ccccc1 ZINC000248127079 532549252 /nfs/dbraw/zinc/54/92/52/532549252.db2.gz VTGDBJWQYVUAHZ-CRAIPNDOSA-N 1 0 390.281 2.172 20 0 GEADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000631235822 532549243 /nfs/dbraw/zinc/54/92/43/532549243.db2.gz SORNHXAWKJKRNK-KRWDZBQOSA-N 1 0 386.876 2.210 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527630749 532549695 /nfs/dbraw/zinc/54/96/95/532549695.db2.gz GQNVQBLUDOYTTE-VIFPVBQESA-N 1 0 376.301 2.177 20 0 GEADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000565888889 532582406 /nfs/dbraw/zinc/58/24/06/532582406.db2.gz CMYFXKWBUVLRDC-LBPRGKRZSA-N 1 0 379.873 2.055 20 0 GEADRO CS(=O)(=O)NCCc1ccc(-c2nc(-c3ccc(C[NH3+])cc3)no2)s1 ZINC000262042190 532582344 /nfs/dbraw/zinc/58/23/44/532582344.db2.gz PHROYSHBDNBQGA-UHFFFAOYSA-N 1 0 378.479 2.016 20 0 GEADRO O=C(Nc1cnc(Cl)c(Br)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297339978 532582636 /nfs/dbraw/zinc/58/26/36/532582636.db2.gz ZLFATAIBXSUTLY-JTQLQIEISA-N 1 0 391.697 2.466 20 0 GEADRO C[C@@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ncc(Br)cn1 ZINC000565883442 532582823 /nfs/dbraw/zinc/58/28/23/532582823.db2.gz VABCQZMECSGCLZ-RISCZKNCSA-N 1 0 382.306 2.474 20 0 GEADRO CN1CCN(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)[C@H](C[NH3+])C1 ZINC000565882709 532583145 /nfs/dbraw/zinc/58/31/45/532583145.db2.gz GOTIPWYWMXJGFQ-MLGOLLRUSA-N 1 0 395.345 2.357 20 0 GEADRO CN1CC[C@@H](CNS(=O)(=O)CCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632158690 532583850 /nfs/dbraw/zinc/58/38/50/532583850.db2.gz DYMAZMXLOXZVPV-WMLDXEAASA-N 1 0 391.940 2.343 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000433926579 532583873 /nfs/dbraw/zinc/58/38/73/532583873.db2.gz LHJXWWOYBSKIPG-INIZCTEOSA-N 1 0 383.334 2.145 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000655247213 532584103 /nfs/dbraw/zinc/58/41/03/532584103.db2.gz WXDPJMDPRCHDFP-JNSHFYNHSA-N 1 0 379.917 2.469 20 0 GEADRO CCOc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Br)c1OC ZINC000262082838 532584640 /nfs/dbraw/zinc/58/46/40/532584640.db2.gz FNKYTTWCUILGLR-OAHLLOKOSA-N 1 0 398.345 2.336 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000297364506 532584788 /nfs/dbraw/zinc/58/47/88/532584788.db2.gz RYXAEVLNYWMGGW-GFCCVEGCSA-N 1 0 381.278 2.440 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000297363291 532584821 /nfs/dbraw/zinc/58/48/21/532584821.db2.gz FZHQZOIAYCINGJ-INIZCTEOSA-N 1 0 390.267 2.208 20 0 GEADRO Cc1nc(C(C)(C)C)sc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262075271 532584909 /nfs/dbraw/zinc/58/49/09/532584909.db2.gz SSIAZRHUROWUTR-NSHDSACASA-N 1 0 378.464 2.315 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCCSC(F)(F)F)c1 ZINC000284315080 532585136 /nfs/dbraw/zinc/58/51/36/532585136.db2.gz ZMBSDCAOPCBZHN-UHFFFAOYSA-N 1 0 377.432 2.124 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2nc3cc(Br)ccn3n2)CC[N@@H+]1C ZINC000297370554 532585281 /nfs/dbraw/zinc/58/52/81/532585281.db2.gz UBXJGLMORXIZEL-ZYHUDNBSSA-N 1 0 381.278 2.438 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000565939336 532585657 /nfs/dbraw/zinc/58/56/57/532585657.db2.gz NVTALLUTDAAOBC-SSDOTTSWSA-N 1 0 382.180 2.117 20 0 GEADRO Cc1c(Br)cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c(=O)n1C ZINC000434026625 532586152 /nfs/dbraw/zinc/58/61/52/532586152.db2.gz UPYSVWPMLCIBMS-UHFFFAOYSA-N 1 0 392.297 2.448 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000262175758 532587295 /nfs/dbraw/zinc/58/72/95/532587295.db2.gz YCCCGFYIFOXLSZ-ZDUSSCGKSA-N 1 0 389.587 2.249 20 0 GEADRO Brc1ccc(-c2c[nH]c(CN3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000262181484 532587440 /nfs/dbraw/zinc/58/74/40/532587440.db2.gz WWMYRRJJAVOKQC-MRXNPFEDSA-N 1 0 390.329 2.319 20 0 GEADRO C[C@@]([NH3+])(C(=O)NCCCN1CCCCC1=O)c1ccc(Br)cc1 ZINC000566007497 532587647 /nfs/dbraw/zinc/58/76/47/532587647.db2.gz DGLGWVDGZAOCSA-KRWDZBQOSA-N 1 0 382.302 2.142 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCCOc1ccccc1Br ZINC000473266405 532587722 /nfs/dbraw/zinc/58/77/22/532587722.db2.gz VRMHFEHCWIPWIT-KRWDZBQOSA-N 1 0 387.318 2.427 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)c(Br)c1)C(=O)N1CCC[NH2+]CC1 ZINC000565997998 532587884 /nfs/dbraw/zinc/58/78/84/532587884.db2.gz UZFVGZHZHRMCDK-UHFFFAOYSA-N 1 0 394.191 2.228 20 0 GEADRO O=C(NCCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1cccc(Br)c1 ZINC000655431276 532588127 /nfs/dbraw/zinc/58/81/27/532588127.db2.gz AHEWJQYNIJUSID-YJBOKZPZSA-N 1 0 394.313 2.075 20 0 GEADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655435356 532588263 /nfs/dbraw/zinc/58/82/63/532588263.db2.gz DWUTVWVPXHEMDK-PBHICJAKSA-N 1 0 390.285 2.417 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000297410141 532588451 /nfs/dbraw/zinc/58/84/51/532588451.db2.gz QMGBRQIXYJNBBP-YVNDNENWSA-N 1 0 388.331 2.213 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655421100 532588455 /nfs/dbraw/zinc/58/84/55/532588455.db2.gz PAYNEFIPJFGHDD-GUYCJALGSA-N 1 0 380.286 2.202 20 0 GEADRO O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000375968440 532588590 /nfs/dbraw/zinc/58/85/90/532588590.db2.gz JFGOVUAHGFYZHX-WFASDCNBSA-N 1 0 386.279 2.301 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000473363817 532589566 /nfs/dbraw/zinc/58/95/66/532589566.db2.gz FZVODUBCAVPVDM-CQSZACIVSA-N 1 0 386.265 2.292 20 0 GEADRO CSc1cc(Br)ccc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000655462870 532590178 /nfs/dbraw/zinc/59/01/78/532590178.db2.gz YFAROKGNJLKOOM-CYBMUJFWSA-N 1 0 384.343 2.291 20 0 GEADRO O=S(=O)(CCC(F)(F)F)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000284400864 532590851 /nfs/dbraw/zinc/59/08/51/532590851.db2.gz TYRUNOCCSDCWSQ-UHFFFAOYSA-N 1 0 380.432 2.015 20 0 GEADRO C[C@@H]1CN(C(=O)c2c(F)cncc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000632209529 532590870 /nfs/dbraw/zinc/59/08/70/532590870.db2.gz GMQDNEOFUVEJEB-IUODEOHRSA-N 1 0 399.308 2.081 20 0 GEADRO O=C(NCc1csc(Br)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297479993 532590900 /nfs/dbraw/zinc/59/09/00/532590900.db2.gz VKQZKDXUNLKQMB-LBPRGKRZSA-N 1 0 376.320 2.157 20 0 GEADRO C[C@H]1CN(C(=O)c2c(F)cncc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000632209531 532590930 /nfs/dbraw/zinc/59/09/30/532590930.db2.gz GMQDNEOFUVEJEB-SWLSCSKDSA-N 1 0 399.308 2.081 20 0 GEADRO Cc1nccc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1Br ZINC000529077421 532591052 /nfs/dbraw/zinc/59/10/52/532591052.db2.gz ODEDDPXZAZBHGR-UHFFFAOYSA-N 1 0 397.317 2.293 20 0 GEADRO COCC1(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC[NH2+]CC1 ZINC000262383667 532591105 /nfs/dbraw/zinc/59/11/05/532591105.db2.gz OGYKPXCVXPSOAJ-CYBMUJFWSA-N 1 0 385.302 2.349 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000297470200 532591301 /nfs/dbraw/zinc/59/13/01/532591301.db2.gz RJOPJPRYWUKWHU-CQSZACIVSA-N 1 0 396.289 2.062 20 0 GEADRO C[C@H](c1ccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1)C(F)(F)F ZINC000297474250 532591334 /nfs/dbraw/zinc/59/13/34/532591334.db2.gz LESRZXNLJIVWKU-TZMCWYRMSA-N 1 0 379.448 2.358 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000473404903 532591429 /nfs/dbraw/zinc/59/14/29/532591429.db2.gz GSLVUNUJQGDXBH-MFKMUULPSA-N 1 0 386.265 2.434 20 0 GEADRO C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655488439 532591769 /nfs/dbraw/zinc/59/17/69/532591769.db2.gz ZRTJRPOQCQJGOX-UYAYXHRUSA-N 1 0 398.345 2.237 20 0 GEADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000566103116 532592681 /nfs/dbraw/zinc/59/26/81/532592681.db2.gz UTTAFJLMNASRQA-HNNXBMFYSA-N 1 0 377.491 2.143 20 0 GEADRO CC(C)C(=O)NCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000566108624 532592798 /nfs/dbraw/zinc/59/27/98/532592798.db2.gz WXLDDNPSPOYITO-GFCCVEGCSA-N 1 0 393.709 2.204 20 0 GEADRO [NH3+]C[C@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)C(F)(F)F ZINC000655505955 532592932 /nfs/dbraw/zinc/59/29/32/532592932.db2.gz JTUZGCNODRETPO-ZDUSSCGKSA-N 1 0 375.416 2.021 20 0 GEADRO O=C(NCc1cc(F)ccc1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297498411 532593207 /nfs/dbraw/zinc/59/32/07/532593207.db2.gz WTDJGNGMHFFDKB-CQSZACIVSA-N 1 0 388.281 2.234 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000376064105 532594092 /nfs/dbraw/zinc/59/40/92/532594092.db2.gz BTEYALDXYGXCCH-GDBMZVCRSA-N 1 0 387.933 2.218 20 0 GEADRO COc1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1OCc1cscn1 ZINC000655513951 532594273 /nfs/dbraw/zinc/59/42/73/532594273.db2.gz JFVBBOQCAOLVOT-ZDUSSCGKSA-N 1 0 375.372 2.350 20 0 GEADRO O=S1(=O)CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000566131743 532594756 /nfs/dbraw/zinc/59/47/56/532594756.db2.gz OVHXAIFIOMXEQB-OLZOCXBDSA-N 1 0 382.309 2.290 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000595670464 532570631 /nfs/dbraw/zinc/57/06/31/532570631.db2.gz ULMCBYCVEHBQDF-ZMRCNFHJSA-N 1 0 389.279 2.479 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000565596311 532571610 /nfs/dbraw/zinc/57/16/10/532571610.db2.gz IBMWFRGLISIBNI-RQJHMYQMSA-N 1 0 375.210 2.482 20 0 GEADRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000565598523 532571800 /nfs/dbraw/zinc/57/18/00/532571800.db2.gz ZNFLWCHGTXOWRP-STQMWFEESA-N 1 0 376.906 2.161 20 0 GEADRO CO[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000654833383 532571931 /nfs/dbraw/zinc/57/19/31/532571931.db2.gz RLYRXXBLYFEHPN-WMLDXEAASA-N 1 0 397.313 2.317 20 0 GEADRO CO[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000654833382 532572056 /nfs/dbraw/zinc/57/20/56/532572056.db2.gz RLYRXXBLYFEHPN-RHSMWYFYSA-N 1 0 397.313 2.317 20 0 GEADRO COC[C@@H]1CN(CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H](C)O1 ZINC000251902632 532572124 /nfs/dbraw/zinc/57/21/24/532572124.db2.gz RCLMRCYCRPEKAR-YPMHNXCESA-N 1 0 391.331 2.205 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1C(F)F ZINC000565587669 532572127 /nfs/dbraw/zinc/57/21/27/532572127.db2.gz KOYMIRARCDNDQY-LLVKDONJSA-N 1 0 376.473 2.161 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(C[NH3+])CC1 ZINC000297177073 532572270 /nfs/dbraw/zinc/57/22/70/532572270.db2.gz KVEYMDJVEAFIBM-MRXNPFEDSA-N 1 0 383.945 2.389 20 0 GEADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631993761 532572346 /nfs/dbraw/zinc/57/23/46/532572346.db2.gz YUVLHJALMZSTJL-JQWIXIFHSA-N 1 0 377.279 2.351 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)ccc1Br ZINC000631994113 532572380 /nfs/dbraw/zinc/57/23/80/532572380.db2.gz GBBOWSKJWQJNTK-SMDDNHRTSA-N 1 0 389.315 2.220 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)ccc1Br ZINC000631994112 532572545 /nfs/dbraw/zinc/57/25/45/532572545.db2.gz GBBOWSKJWQJNTK-RISCZKNCSA-N 1 0 389.315 2.220 20 0 GEADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cccc(I)c1)CC2 ZINC000284007310 532572556 /nfs/dbraw/zinc/57/25/56/532572556.db2.gz PTNUDNWPUSYUMV-CYBMUJFWSA-N 1 0 398.248 2.134 20 0 GEADRO COC[C@@H]1CN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000251857220 532572597 /nfs/dbraw/zinc/57/25/97/532572597.db2.gz NXPLCBGTTSJHJR-XEZPLFJOSA-N 1 0 385.302 2.362 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1Br ZINC000631996247 532572657 /nfs/dbraw/zinc/57/26/57/532572657.db2.gz YQVLZFOFGISDMA-BXUZGUMPSA-N 1 0 389.315 2.220 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654888596 532572927 /nfs/dbraw/zinc/57/29/27/532572927.db2.gz MKYPFFBTFHXZTE-VDISTLRHSA-N 1 0 382.302 2.406 20 0 GEADRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000262455311 532595186 /nfs/dbraw/zinc/59/51/86/532595186.db2.gz HGIAJEMYZJIWJN-SRVKXCTJSA-N 1 0 383.290 2.005 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(Br)c(F)c1F)C[NH+]1CCN(C)CC1 ZINC000528560804 532573044 /nfs/dbraw/zinc/57/30/44/532573044.db2.gz LQMSBWUMRSBVSS-NSHDSACASA-N 1 0 390.272 2.341 20 0 GEADRO C[C@]12COC[C@H]1C[N@H+](CC(=O)Nc1cccc(I)c1)C2 ZINC000595757395 532573142 /nfs/dbraw/zinc/57/31/42/532573142.db2.gz JGVGXJQIIPEVRP-ABAIWWIYSA-N 1 0 386.233 2.198 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1Br ZINC000472432274 532573910 /nfs/dbraw/zinc/57/39/10/532573910.db2.gz PJTYQQPKHKUFMV-UHFFFAOYSA-N 1 0 387.322 2.261 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000654890471 532574515 /nfs/dbraw/zinc/57/45/15/532574515.db2.gz YAKZLDIAMZFKPV-VDISTLRHSA-N 1 0 394.313 2.333 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C[C@H]1C ZINC000632018699 532574760 /nfs/dbraw/zinc/57/47/60/532574760.db2.gz HVULKYJRLQWIMF-CHWSQXEVSA-N 1 0 383.539 2.093 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000654901535 532574826 /nfs/dbraw/zinc/57/48/26/532574826.db2.gz DNYDQVPTBPWNGU-UHFFFAOYSA-N 1 0 383.290 2.115 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000654901560 532574888 /nfs/dbraw/zinc/57/48/88/532574888.db2.gz FJPKJVSKQUULDN-UHFFFAOYSA-N 1 0 382.555 2.204 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000262457819 532595257 /nfs/dbraw/zinc/59/52/57/532595257.db2.gz LQSOVJIDAFCUHE-GFCCVEGCSA-N 1 0 391.331 2.117 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1sccc1Br ZINC000261662813 532576086 /nfs/dbraw/zinc/57/60/86/532576086.db2.gz BIARIYCWERTXOO-VIFPVBQESA-N 1 0 386.237 2.077 20 0 GEADRO C[NH+](C)C1(CNc2cc(Br)cnc2C(N)=O)Cc2ccccc2C1 ZINC000472508724 532576341 /nfs/dbraw/zinc/57/63/41/532576341.db2.gz ZXOHMCWNXZKDCM-UHFFFAOYSA-N 1 0 389.297 2.454 20 0 GEADRO CC(C)C(=O)N1CCC(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261683447 532576608 /nfs/dbraw/zinc/57/66/08/532576608.db2.gz HDZNVRBEZSCGAQ-SFHVURJKSA-N 1 0 396.329 2.386 20 0 GEADRO CN(CC[N@H+](C)Cc1cnc(C2CC2)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000565755553 532576724 /nfs/dbraw/zinc/57/67/24/532576724.db2.gz URVDZCXCGPVYMP-UHFFFAOYSA-N 1 0 380.539 2.236 20 0 GEADRO Cc1cnc(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)nc1 ZINC000565770542 532576797 /nfs/dbraw/zinc/57/67/97/532576797.db2.gz YAZFERIWZJIEMW-UHFFFAOYSA-N 1 0 384.299 2.154 20 0 GEADRO COCCC[N@@H+]1CCCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000375714089 532577410 /nfs/dbraw/zinc/57/74/10/532577410.db2.gz JGNVSAXZAVWOAQ-UHFFFAOYSA-N 1 0 395.301 2.281 20 0 GEADRO O=C(CCc1cc(Cl)cs1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261744277 532578065 /nfs/dbraw/zinc/57/80/65/532578065.db2.gz DXLDRPSOLMKRPM-XJKSGUPXSA-N 1 0 383.945 2.441 20 0 GEADRO O=C(c1cc(I)c[nH]1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935919 532578330 /nfs/dbraw/zinc/57/83/30/532578330.db2.gz JYCZOUDYRKPEJZ-GFCCVEGCSA-N 1 0 387.265 2.471 20 0 GEADRO CC1([NH+]2CCOCC2)CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000528726823 532578273 /nfs/dbraw/zinc/57/82/73/532578273.db2.gz CXOAHDPEBQDIJV-MRXNPFEDSA-N 1 0 396.329 2.162 20 0 GEADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000565818011 532578543 /nfs/dbraw/zinc/57/85/43/532578543.db2.gz YSRKPNUAHSACAE-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO Cc1ccc(SCCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261950586 532579863 /nfs/dbraw/zinc/57/98/63/532579863.db2.gz KBCNPXRMKHUHGI-OAHLLOKOSA-N 1 0 375.460 2.430 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)N2C[C@](C)(CO)[C@](C)(CO)C2)ccc1Br ZINC000528750747 532579873 /nfs/dbraw/zinc/57/98/73/532579873.db2.gz ILDPIWJTMOUMKX-DOPJRALCSA-N 1 0 399.329 2.397 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528752019 532579933 /nfs/dbraw/zinc/57/99/33/532579933.db2.gz MWYBGEYXCDAJBG-CALCHBBNSA-N 1 0 385.302 2.009 20 0 GEADRO C[C@@H](CNC(=O)NCCc1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000297302510 532580024 /nfs/dbraw/zinc/58/00/24/532580024.db2.gz QLIFFBOQQXGSPE-HNNXBMFYSA-N 1 0 397.361 2.174 20 0 GEADRO COc1cc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)cc(I)c1OC ZINC000261950959 532580008 /nfs/dbraw/zinc/58/00/08/532580008.db2.gz FZVWWAJSIOLEEK-MNOVXSKESA-N 1 0 390.265 2.491 20 0 GEADRO C[C@]1(CO)C[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@@]1(C)CO ZINC000528751762 532580287 /nfs/dbraw/zinc/58/02/87/532580287.db2.gz NWBQKXMXNXNCSY-CALCHBBNSA-N 1 0 385.302 2.091 20 0 GEADRO Cn1cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(-c2cccs2)n1 ZINC000375767716 532580642 /nfs/dbraw/zinc/58/06/42/532580642.db2.gz ICOHHSGVHBJDMK-UKRRQHHQSA-N 1 0 382.555 2.346 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)C1CCOCC1 ZINC000261984359 532580926 /nfs/dbraw/zinc/58/09/26/532580926.db2.gz MJKTXBAWKMOENE-HZPDHXFCSA-N 1 0 383.286 2.103 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1O ZINC000375741971 532581207 /nfs/dbraw/zinc/58/12/07/532581207.db2.gz GFURQKHCALRIQR-AWEZNQCLSA-N 1 0 382.507 2.263 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261998412 532581319 /nfs/dbraw/zinc/58/13/19/532581319.db2.gz NHWLFZBNVQDHIS-YJBOKZPZSA-N 1 0 383.945 2.389 20 0 GEADRO [NH3+]CC1(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CCOCC1 ZINC000261987325 532581551 /nfs/dbraw/zinc/58/15/51/532581551.db2.gz SILXIEVOZBCOKS-OAHLLOKOSA-N 1 0 383.286 2.105 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1C[C@]13CC[NH2+]C3)C2 ZINC000595997042 532581783 /nfs/dbraw/zinc/58/17/83/532581783.db2.gz JWZKDVWDGGIHBZ-PSLIRLAXSA-N 1 0 385.283 2.139 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N1CC2(CCN2Cc2ccccc2)C1 ZINC000632492906 532613755 /nfs/dbraw/zinc/61/37/55/532613755.db2.gz PVUULNROVGKGGA-UHFFFAOYSA-N 1 0 377.535 2.284 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2csc3c2cccc3Br)C1 ZINC000566499564 532613846 /nfs/dbraw/zinc/61/38/46/532613846.db2.gz YHOSSWFPMXQCOF-CQSZACIVSA-N 1 0 390.324 2.303 20 0 GEADRO CCSC1(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000597166459 532614114 /nfs/dbraw/zinc/61/41/14/532614114.db2.gz DPRLGTLRKAZKOG-CQSZACIVSA-N 1 0 381.567 2.403 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000597168366 532614611 /nfs/dbraw/zinc/61/46/11/532614611.db2.gz YGLKFOSIDGHPIP-INIZCTEOSA-N 1 0 398.320 2.369 20 0 GEADRO COc1cc(CN2CCC(C[NH3+])CC2)cc(I)c1OC ZINC000435397377 532614984 /nfs/dbraw/zinc/61/49/84/532614984.db2.gz GILLHYCMXQOTKK-UHFFFAOYSA-N 1 0 390.265 2.479 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CCOCC1 ZINC000474382051 532615486 /nfs/dbraw/zinc/61/54/86/532615486.db2.gz YRPPDPCODWIWQT-SFHVURJKSA-N 1 0 399.329 2.163 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000297975996 532615850 /nfs/dbraw/zinc/61/58/50/532615850.db2.gz UGTATGPNEOMVOK-UHFFFAOYSA-N 1 0 396.329 2.350 20 0 GEADRO C[C@H](c1ncc(Br)cn1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376517594 532616160 /nfs/dbraw/zinc/61/61/60/532616160.db2.gz KJQVUSJCMIEXMA-IIAWOOMASA-N 1 0 382.350 2.258 20 0 GEADRO Cc1ncsc1CN(Cc1ccc(S(C)(=O)=O)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435423323 532617025 /nfs/dbraw/zinc/61/70/25/532617025.db2.gz SVEIBOQAFIKTMX-MRXNPFEDSA-N 1 0 379.551 2.467 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000284748928 532617539 /nfs/dbraw/zinc/61/75/39/532617539.db2.gz LKIMHGBNAZPPGC-UHFFFAOYSA-N 1 0 397.317 2.411 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])s1 ZINC000263170351 532618694 /nfs/dbraw/zinc/61/86/94/532618694.db2.gz FRDJFYXVSAVPDF-WMLDXEAASA-N 1 0 387.571 2.302 20 0 GEADRO COc1ccc(Br)cc1NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284783405 532620011 /nfs/dbraw/zinc/62/00/11/532620011.db2.gz KRGLNJWABCABCO-DZGCQCFKSA-N 1 0 384.274 2.395 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)[C@H]1Sc1ccccc1 ZINC000656473822 532620965 /nfs/dbraw/zinc/62/09/65/532620965.db2.gz VBEJDMRQAOBWRU-RCCFBDPRSA-N 1 0 384.567 2.338 20 0 GEADRO COC(=O)c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000284494174 532596128 /nfs/dbraw/zinc/59/61/28/532596128.db2.gz XDDOPLBZPIOQJR-CQSZACIVSA-N 1 0 397.313 2.390 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000473625691 532596471 /nfs/dbraw/zinc/59/64/71/532596471.db2.gz NLHNRNPQEYEKTF-XJKSGUPXSA-N 1 0 384.293 2.198 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1cc(Br)cn(C)c1=O ZINC000434601298 532596968 /nfs/dbraw/zinc/59/69/68/532596968.db2.gz FWKDSCOUZLVTMH-UHFFFAOYSA-N 1 0 376.320 2.161 20 0 GEADRO CCC[C@@](C)([NH3+])C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000262693066 532597361 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O=C(CCNC(=O)c1cc(F)ccc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435247582 532611927 /nfs/dbraw/zinc/61/19/27/532611927.db2.gz LRKKTMDWYMNZNK-CYBMUJFWSA-N 1 0 398.276 2.061 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)cc1Cl ZINC000566480314 532611861 /nfs/dbraw/zinc/61/18/61/532611861.db2.gz NGSAOAPZVRICOP-UHFFFAOYSA-N 1 0 389.880 2.330 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435243734 532611980 /nfs/dbraw/zinc/61/19/80/532611980.db2.gz AFUBUJKLDCGERO-INIZCTEOSA-N 1 0 396.329 2.113 20 0 GEADRO Cc1c(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000435246107 532612223 /nfs/dbraw/zinc/61/22/23/532612223.db2.gz PPQJMXOYSHCNBG-OAHLLOKOSA-N 1 0 390.285 2.305 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCCn3cc(Br)cn3)C2)C1 ZINC000297917942 532612345 /nfs/dbraw/zinc/61/23/45/532612345.db2.gz IYISBVZAPSVJEG-MRXNPFEDSA-N 1 0 384.322 2.163 20 0 GEADRO O=C(Cn1cc(Br)cn1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474310541 532612371 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O=C(/C=C/c1ccc(I)o1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000298480224 532653870 /nfs/dbraw/zinc/65/38/70/532653870.db2.gz TUPSFMYYODUBNP-MALLOTDXSA-N 1 0 386.233 2.498 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000298502529 532654569 /nfs/dbraw/zinc/65/45/69/532654569.db2.gz RQQJYPABVNWZPN-UHFFFAOYSA-N 1 0 388.917 2.202 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1Br ZINC000633001549 532655089 /nfs/dbraw/zinc/65/50/89/532655089.db2.gz DIXOWMHXYVZMBA-VXGBXAGGSA-N 1 0 398.301 2.371 20 0 GEADRO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1Cl ZINC000285304939 532669003 /nfs/dbraw/zinc/66/90/03/532669003.db2.gz QMYIJSYATJTBTP-CABCVRRESA-N 1 0 386.279 2.172 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3cc(F)ccc3Cl)[C@H]2C1 ZINC000656996697 532656148 /nfs/dbraw/zinc/65/61/48/532656148.db2.gz XYRWOZJJUDRMRU-JKSUJKDBSA-N 1 0 376.881 2.104 20 0 GEADRO COC[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1cccc(Cl)c1 ZINC000298518550 532656614 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532685598 /nfs/dbraw/zinc/68/55/98/532685598.db2.gz BTSQZOZYRJZZQB-UHOFOFEASA-N 1 0 394.313 2.197 20 0 GEADRO O=C(Cc1cccc(I)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601560317 532685925 /nfs/dbraw/zinc/68/59/25/532685925.db2.gz WDYYCZBIEDFAJJ-ZFWWWQNUSA-N 1 0 384.261 2.434 20 0 GEADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638227988 532686199 /nfs/dbraw/zinc/68/61/99/532686199.db2.gz VIWXMMBQHUHKDO-ZHALLVOQSA-N 1 0 392.341 2.233 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCC2)C[C@@H]1O ZINC000663776396 532686530 /nfs/dbraw/zinc/68/65/30/532686530.db2.gz RPFDMPKVARUPQM-HOTGVXAUSA-N 1 0 396.329 2.187 20 0 GEADRO CO[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)[C@H](C[NH3+])C1 ZINC000567891044 532669781 /nfs/dbraw/zinc/66/97/81/532669781.db2.gz WZXSQVANQAVERH-HZSPNIEDSA-N 1 0 385.302 2.490 20 0 GEADRO O=C(c1ccncc1I)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377770779 532670148 /nfs/dbraw/zinc/67/01/48/532670148.db2.gz QBYKXOJTDUIYMR-LBPRGKRZSA-N 1 0 385.249 2.148 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)COc2ccccc2Br)CC12CCOCC2 ZINC000567897592 532670334 /nfs/dbraw/zinc/67/03/34/532670334.db2.gz HIQNXLKPEXQVMT-ZDUSSCGKSA-N 1 0 383.286 2.042 20 0 GEADRO O=C1[C@@H](N2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000567889232 532670394 /nfs/dbraw/zinc/67/03/94/532670394.db2.gz DLXFRZDJYMBHJB-PBHICJAKSA-N 1 0 383.323 2.078 20 0 GEADRO COC(C[N@H+](CCCO)CCC(=O)Nc1ccc(Br)cc1)OC ZINC000298745679 532670416 /nfs/dbraw/zinc/67/04/16/532670416.db2.gz CDBLAQPQTHJIQG-UHFFFAOYSA-N 1 0 389.290 2.081 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000482509879 532670859 /nfs/dbraw/zinc/67/08/59/532670859.db2.gz USPXBJKEYRZRRK-KCPJHIHWSA-N 1 0 381.523 2.217 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000660025936 532671242 /nfs/dbraw/zinc/67/12/42/532671242.db2.gz CEBTXJDXEXBPRW-CQSZACIVSA-N 1 0 375.332 2.395 20 0 GEADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)Nc1cnccn1 ZINC000660035070 532671718 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GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000568237314 532673234 /nfs/dbraw/zinc/67/32/34/532673234.db2.gz XMMUGISZBQIYFB-IKGGRYGDSA-N 1 0 396.329 2.194 20 0 GEADRO CC[C@H](C(=O)N[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1)[NH+](C)C ZINC000600357310 532673774 /nfs/dbraw/zinc/67/37/74/532673774.db2.gz PUHQLRXQVHRMJM-QAPCUYQASA-N 1 0 397.313 2.306 20 0 GEADRO CC(C)(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000264436578 532673960 /nfs/dbraw/zinc/67/39/60/532673960.db2.gz BGVCEFMGOWNXAP-OAHLLOKOSA-N 1 0 396.329 2.183 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000285360203 532674383 /nfs/dbraw/zinc/67/43/83/532674383.db2.gz FEKMWSKGRHYCMA-ZDUSSCGKSA-N 1 0 384.318 2.132 20 0 GEADRO CN(Cc1c(Cl)cccc1Cl)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000264462343 532675033 /nfs/dbraw/zinc/67/50/33/532675033.db2.gz JHECOCRUPCNGGN-OAHLLOKOSA-N 1 0 387.311 2.475 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+]C(C)(C)c2ccc(Br)cc2)nn1 ZINC000438665343 532675090 /nfs/dbraw/zinc/67/50/90/532675090.db2.gz LURBSEORDQWKOF-UHFFFAOYSA-N 1 0 381.274 2.281 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000285372022 532676287 /nfs/dbraw/zinc/67/62/87/532676287.db2.gz RATLQUKPKBSLDJ-TZMCWYRMSA-N 1 0 386.901 2.374 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000637036918 532676739 /nfs/dbraw/zinc/67/67/39/532676739.db2.gz DGSNKXSAZKRWJH-UHFFFAOYSA-N 1 0 380.290 2.342 20 0 GEADRO COCC[NH+]1CCC(NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000660836285 532676911 /nfs/dbraw/zinc/67/69/11/532676911.db2.gz AMTBTPAFNGHIQS-HNNXBMFYSA-N 1 0 390.311 2.437 20 0 GEADRO CSCC[C@@H](C)N(C)C(=O)C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000285396623 532677493 /nfs/dbraw/zinc/67/74/93/532677493.db2.gz YYVBQUFOHUXUNO-ZIAGYGMSSA-N 1 0 383.583 2.211 20 0 GEADRO O=C(NCC1(c2cccc(Br)c2)CCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000484354355 532678439 /nfs/dbraw/zinc/67/84/39/532678439.db2.gz VJPZVSNKLCIUPM-KRWDZBQOSA-N 1 0 392.341 2.377 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)CN1CC[NH+](CC2CC2)CC1 ZINC000438851067 532678614 /nfs/dbraw/zinc/67/86/14/532678614.db2.gz NUZDWUWZJMAPKW-MRXNPFEDSA-N 1 0 387.293 2.356 20 0 GEADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCn1cc(Br)cn1 ZINC000484347183 532678724 /nfs/dbraw/zinc/67/87/24/532678724.db2.gz ZIUPPTPALAAMSO-INIZCTEOSA-N 1 0 394.317 2.118 20 0 GEADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@H]1CCc2[nH]cnc2C1 ZINC000378065677 532679363 /nfs/dbraw/zinc/67/93/63/532679363.db2.gz BMMLEDHSCRGKMI-SWLSCSKDSA-N 1 0 379.258 2.062 20 0 GEADRO Cc1cccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1Br ZINC000535314330 532679841 /nfs/dbraw/zinc/67/98/41/532679841.db2.gz OKGCWANZHGODIP-UHFFFAOYSA-N 1 0 396.329 2.430 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000264839370 532680387 /nfs/dbraw/zinc/68/03/87/532680387.db2.gz ALPPRBCVSSDCNA-NSHDSACASA-N 1 0 396.340 2.118 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000285449444 532680606 /nfs/dbraw/zinc/68/06/06/532680606.db2.gz 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CC[C@H](Cc1ccccc1Br)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664420139 532691851 /nfs/dbraw/zinc/69/18/51/532691851.db2.gz IQDLFOZUQFIBMH-KBMXLJTQSA-N 1 0 384.318 2.087 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000569204898 532691961 /nfs/dbraw/zinc/69/19/61/532691961.db2.gz VLKHMKXUOYAAGD-TXEJJXNPSA-N 1 0 392.301 2.466 20 0 GEADRO C[N@@H+]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)C(C)(C)C1 ZINC000439430199 532692104 /nfs/dbraw/zinc/69/21/04/532692104.db2.gz KVAUWJDDAQGRQC-AWEZNQCLSA-N 1 0 375.282 2.354 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CNC[C@H]1C[NH2+]CCCO1 ZINC000569200029 532692244 /nfs/dbraw/zinc/69/22/44/532692244.db2.gz NYNSNGNKVZSNQF-QGZVFWFLSA-N 1 0 379.302 2.411 20 0 GEADRO CN(C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CC[NH+](C)CC1 ZINC000665074613 532693062 /nfs/dbraw/zinc/69/30/62/532693062.db2.gz OKHYOSRXNKTWDG-CVEARBPZSA-N 1 0 382.302 2.474 20 0 GEADRO Cn1c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)nc2ccc(Cl)cc21 ZINC000285582179 532693140 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2.323 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]2c2ccc(Br)cc2)CCC1 ZINC000669028328 532711999 /nfs/dbraw/zinc/71/19/99/532711999.db2.gz YLVNMXZPIIRPLZ-HNNXBMFYSA-N 1 0 394.313 2.323 20 0 GEADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)C1 ZINC000440354375 532712019 /nfs/dbraw/zinc/71/20/19/532712019.db2.gz ZVBRXQZIQLGCQD-LBPRGKRZSA-N 1 0 384.395 2.086 20 0 GEADRO CC[NH2+]CCNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000440360820 532712281 /nfs/dbraw/zinc/71/22/81/532712281.db2.gz SKOTULJFLCCPIJ-UHFFFAOYSA-N 1 0 390.328 2.460 20 0 GEADRO [NH3+]Cc1cc(NC(=O)NC[C@H]2CCCCS2(=O)=O)cc(C(F)(F)F)c1 ZINC000573784802 532712381 /nfs/dbraw/zinc/71/23/81/532712381.db2.gz WVECQKOMGWDHHW-CYBMUJFWSA-N 1 0 379.404 2.253 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3ccc(I)cc32)CC[N@@H+]1C ZINC000408243887 532713062 /nfs/dbraw/zinc/71/30/62/532713062.db2.gz LCODZNCOBQOGHJ-KOLCDFICSA-N 1 0 398.248 2.380 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1Br ZINC000440424530 532713098 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C[NH+](C)CCCNC(=O)NCCc1ccc(I)s1 ZINC000608893251 532715407 /nfs/dbraw/zinc/71/54/07/532715407.db2.gz QGVYXDICEHRCGS-UHFFFAOYSA-N 1 0 381.283 2.146 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)cc1O ZINC000645294131 532715630 /nfs/dbraw/zinc/71/56/30/532715630.db2.gz DQDWZBWRMPZWNX-LLVKDONJSA-N 1 0 384.274 2.199 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CSCc2ccc(Cl)cc2)C1 ZINC000608867253 532715656 /nfs/dbraw/zinc/71/56/56/532715656.db2.gz LNLGTUUUNLCGQH-OAHLLOKOSA-N 1 0 383.945 2.277 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670495221 532716969 /nfs/dbraw/zinc/71/69/69/532716969.db2.gz ANBCDCACXJCEAL-ZBEGNZNMSA-N 1 0 384.307 2.251 20 0 GEADRO COc1c(Br)cc(C[N@H+](CCO)CCCO)cc1Br ZINC000538731006 532717351 /nfs/dbraw/zinc/71/73/51/532717351.db2.gz NJTQXBVJSPVOJG-UHFFFAOYSA-N 1 0 397.107 2.397 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670495220 532717479 /nfs/dbraw/zinc/71/74/79/532717479.db2.gz ANBCDCACXJCEAL-MEDUHNTESA-N 1 0 384.307 2.251 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C1 ZINC000266383977 532717607 /nfs/dbraw/zinc/71/76/07/532717607.db2.gz IQWBJAVHCMOORO-SWLSCSKDSA-N 1 0 379.448 2.392 20 0 GEADRO CC[NH+]1CCC(CNC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000575218392 532717663 /nfs/dbraw/zinc/71/76/63/532717663.db2.gz RFOCWZXANLMYPY-HNNXBMFYSA-N 1 0 397.317 2.007 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CCSC1 ZINC000611926303 532722049 /nfs/dbraw/zinc/72/20/49/532722049.db2.gz RDANKMFNRLQDGI-OAHLLOKOSA-N 1 0 399.314 2.198 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000299491002 532722136 /nfs/dbraw/zinc/72/21/36/532722136.db2.gz AUFDQUGRJOUKLG-OAHLLOKOSA-N 1 0 380.286 2.474 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000299517111 532723004 /nfs/dbraw/zinc/72/30/04/532723004.db2.gz GZIAKIIGVWJAAE-DOMZBBRYSA-N 1 0 382.302 2.120 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000440857568 532723118 /nfs/dbraw/zinc/72/31/18/532723118.db2.gz JJTQONMJSJHYAM-GUYCJALGSA-N 1 0 390.933 2.422 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000409506937 532723298 /nfs/dbraw/zinc/72/32/98/532723298.db2.gz JZGNYTYMELOVRX-UHFFFAOYSA-N 1 0 391.331 2.314 20 0 GEADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@H]1CC12CC[NH2+]CC2 ZINC000612979857 532723578 /nfs/dbraw/zinc/72/35/78/532723578.db2.gz JUHDLELITFURFG-GJZGRUSLSA-N 1 0 382.302 2.314 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612987171 532723647 /nfs/dbraw/zinc/72/36/47/532723647.db2.gz UHTARZUOIIDRTR-XJKSGUPXSA-N 1 0 396.329 2.041 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000646121868 532723569 /nfs/dbraw/zinc/72/35/69/532723569.db2.gz WTHOWSPQPNIMOH-PBHICJAKSA-N 1 0 380.330 2.134 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000440859208 532723807 /nfs/dbraw/zinc/72/38/07/532723807.db2.gz MKCVXNLSHNCCKV-QGZVFWFLSA-N 1 0 390.933 2.423 20 0 GEADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987621 532724129 /nfs/dbraw/zinc/72/41/29/532724129.db2.gz WVOVSMSEYKVZTD-ZBFHGGJFSA-N 1 0 396.329 2.041 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612985686 532724246 /nfs/dbraw/zinc/72/42/46/532724246.db2.gz MSCWNSWQLZAFQF-GOEBONIOSA-N 1 0 396.329 2.041 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000646472858 532724247 /nfs/dbraw/zinc/72/42/47/532724247.db2.gz KUCUPVHPMWPFGK-QWRGUYRKSA-N 1 0 388.331 2.134 20 0 GEADRO C[C@@H](CNC(=O)N(C)Cc1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000266798843 532724332 /nfs/dbraw/zinc/72/43/32/532724332.db2.gz NVBZOTANRXFZAT-HNNXBMFYSA-N 1 0 397.361 2.474 20 0 GEADRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1nnnn1-c1ccccc1Br ZINC000576161264 532724565 /nfs/dbraw/zinc/72/45/65/532724565.db2.gz YPWMBMYSHLINIJ-KRWDZBQOSA-N 1 0 399.296 2.483 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000409515000 532724703 /nfs/dbraw/zinc/72/47/03/532724703.db2.gz RRMXXLDWGLGNQC-ZDUSSCGKSA-N 1 0 391.331 2.314 20 0 GEADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000440868082 532725369 /nfs/dbraw/zinc/72/53/69/532725369.db2.gz TZXBYHKIHOVDJL-UHFFFAOYSA-N 1 0 381.420 2.033 20 0 GEADRO O=S(=O)(Cc1cccc(Br)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672375187 532725372 /nfs/dbraw/zinc/72/53/72/532725372.db2.gz YIYAFBCORJZNQP-UHFFFAOYSA-N 1 0 396.310 2.496 20 0 GEADRO Cc1nc2n(n1)C[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)CC2 ZINC000576192622 532725795 /nfs/dbraw/zinc/72/57/95/532725795.db2.gz MBQLNGLMZKJJQC-AWEZNQCLSA-N 1 0 378.274 2.282 20 0 GEADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cnn(C)c2Br)cc1 ZINC000286042369 532726151 /nfs/dbraw/zinc/72/61/51/532726151.db2.gz KWKOODNYTRGMKY-CQSZACIVSA-N 1 0 381.274 2.224 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441992140 532727889 /nfs/dbraw/zinc/72/78/89/532727889.db2.gz AGIUSLBMTRFZAI-ZDUSSCGKSA-N 1 0 380.286 2.357 20 0 GEADRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000539270990 532728001 /nfs/dbraw/zinc/72/80/01/532728001.db2.gz RGRNLOQKBDJJSV-NSHDSACASA-N 1 0 387.274 2.130 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000613138214 532728169 /nfs/dbraw/zinc/72/81/69/532728169.db2.gz DOULOIOZPWHXPM-SUMWQHHRSA-N 1 0 395.345 2.251 20 0 GEADRO COC(=O)C1CCN(C(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)CC1 ZINC000299594909 532728245 /nfs/dbraw/zinc/72/82/45/532728245.db2.gz PNTFOQWMHJSMJQ-UHFFFAOYSA-N 1 0 395.297 2.439 20 0 GEADRO C[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000539302525 532728434 /nfs/dbraw/zinc/72/84/34/532728434.db2.gz ATBAFTGEBWZIIK-OWJWWREXSA-N 1 0 380.535 2.395 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000576781464 532729066 /nfs/dbraw/zinc/72/90/66/532729066.db2.gz VIXMYQYSRUAZHX-UHFFFAOYSA-N 1 0 382.917 2.414 20 0 GEADRO C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409903005 532729880 /nfs/dbraw/zinc/72/98/80/532729880.db2.gz OXAFIXZBHIKQBY-FUHWJXTLSA-N 1 0 381.314 2.347 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cc2n(n1)CCC2 ZINC000577044004 532730227 /nfs/dbraw/zinc/73/02/27/532730227.db2.gz YFXUNJVJPGFRRA-KBPBESRZSA-N 1 0 380.539 2.252 20 0 GEADRO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Oc2ccccc2Br)C1 ZINC000500033991 532730682 /nfs/dbraw/zinc/73/06/82/532730682.db2.gz ZLJDELOYUWGMHQ-CZUORRHYSA-N 1 0 385.302 2.442 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409940808 532730739 /nfs/dbraw/zinc/73/07/39/532730739.db2.gz XSCUMOSCWSAJAB-FUHWJXTLSA-N 1 0 381.314 2.083 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1Br ZINC000673821359 532731251 /nfs/dbraw/zinc/73/12/51/532731251.db2.gz IHXXNUCGSURQMM-GFCCVEGCSA-N 1 0 389.315 2.220 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000613585921 532731311 /nfs/dbraw/zinc/73/13/11/532731311.db2.gz HGPJKGCMODOEMW-UHFFFAOYSA-N 1 0 382.258 2.148 20 0 GEADRO O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)NC1CCSCC1 ZINC000299621729 532731788 /nfs/dbraw/zinc/73/17/88/532731788.db2.gz MRJBNEXNJFFWBW-UHFFFAOYSA-N 1 0 379.551 2.186 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)CCC(=O)c1ccc(I)cc1 ZINC000577063524 532731800 /nfs/dbraw/zinc/73/18/00/532731800.db2.gz OYRXEAZDJQRKPD-NSHDSACASA-N 1 0 388.249 2.498 20 0 GEADRO COC(=O)c1c(C)c(C)sc1NC(=O)CN1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000539492706 532732018 /nfs/dbraw/zinc/73/20/18/532732018.db2.gz HSDHHVUWQPDNFK-STQMWFEESA-N 1 0 385.555 2.067 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)s1)NCC[NH+]1CCCCCC1 ZINC000613619826 532732352 /nfs/dbraw/zinc/73/23/52/532732352.db2.gz IAGVKAAPJNHNEV-UHFFFAOYSA-N 1 0 388.331 2.233 20 0 GEADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000494324152 532718606 /nfs/dbraw/zinc/71/86/06/532718606.db2.gz AIDGBWDIORSHLZ-HNNXBMFYSA-N 1 0 379.302 2.120 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1c(F)cc(Br)cc1F ZINC000266426272 532719450 /nfs/dbraw/zinc/71/94/50/532719450.db2.gz WHFBLJUVKCHPKK-JTQLQIEISA-N 1 0 377.233 2.095 20 0 GEADRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000440628554 532719891 /nfs/dbraw/zinc/71/98/91/532719891.db2.gz XHDWRTLOUKMPKS-LBPRGKRZSA-N 1 0 379.507 2.345 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579712208 532743272 /nfs/dbraw/zinc/74/32/72/532743272.db2.gz KMRXPPYAZYPFLA-FVQBIDKESA-N 1 0 380.330 2.337 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000579711703 532743507 /nfs/dbraw/zinc/74/35/07/532743507.db2.gz ISMTYEKQFOCOHA-MJBXVCDLSA-N 1 0 394.313 2.436 20 0 GEADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)ccc1Cl ZINC000579924982 532744649 /nfs/dbraw/zinc/74/46/49/532744649.db2.gz KXWWLKIRBUEAEU-OSAQELSMSA-N 1 0 385.917 2.307 20 0 GEADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC(C[NH+](C)C)C1 ZINC000615515882 532747208 /nfs/dbraw/zinc/74/72/08/532747208.db2.gz SQPGUCNWIWVQAH-UHFFFAOYSA-N 1 0 383.286 2.441 20 0 GEADRO CCCCN(C(=O)C[NH2+][C@@H]1CCC[C@H]1SCC)[C@@H]1CCS(=O)(=O)C1 ZINC000503429687 532747618 /nfs/dbraw/zinc/74/76/18/532747618.db2.gz WCWAELDDSSDKIR-BZUAXINKSA-N 1 0 376.588 2.066 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[NH+](C(C)(C)CO)CC1 ZINC000673894263 532733692 /nfs/dbraw/zinc/73/36/92/532733692.db2.gz CHUJSOOTPRFEOH-CYBMUJFWSA-N 1 0 384.318 2.165 20 0 GEADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000577098799 532733723 /nfs/dbraw/zinc/73/37/23/532733723.db2.gz IYEFCCWRKKQHEB-HOCLYGCPSA-N 1 0 385.302 2.037 20 0 GEADRO CN1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000539808818 532733805 /nfs/dbraw/zinc/73/38/05/532733805.db2.gz XZEOQXITMXVFPF-JSGCOSHPSA-N 1 0 395.301 2.115 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000267143651 532734007 /nfs/dbraw/zinc/73/40/07/532734007.db2.gz JGGWGCUZQWQLOA-UHFFFAOYSA-N 1 0 386.309 2.478 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000286213915 532734052 /nfs/dbraw/zinc/73/40/52/532734052.db2.gz CQOBAPZQVMDSCD-VXGBXAGGSA-N 1 0 377.432 2.416 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc(Br)c1O ZINC000673885856 532734492 /nfs/dbraw/zinc/73/44/92/532734492.db2.gz NBDDWQJQBPGJFJ-AWEZNQCLSA-N 1 0 399.285 2.033 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442758354 532734646 /nfs/dbraw/zinc/73/46/46/532734646.db2.gz AJERQOKYUJXIRH-UHFFFAOYSA-N 1 0 377.388 2.446 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2sccc2Br)CCSC1 ZINC000267155446 532735626 /nfs/dbraw/zinc/73/56/26/532735626.db2.gz IETPVKJJXBDAGP-NSHDSACASA-N 1 0 385.374 2.226 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)ccc1Br ZINC000501154203 532737760 /nfs/dbraw/zinc/73/77/60/532737760.db2.gz JNZYBMUNNBOFPQ-UHFFFAOYSA-N 1 0 391.331 2.420 20 0 GEADRO COc1ncccc1CC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000578500306 532737835 /nfs/dbraw/zinc/73/78/35/532737835.db2.gz VDFDYOUSHWEKJW-HNNXBMFYSA-N 1 0 381.270 2.425 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1CCC(OCCC[NH+](C)C)CC1 ZINC000267199370 532738050 /nfs/dbraw/zinc/73/80/50/532738050.db2.gz OFIIJMDUGGJIDK-UHFFFAOYSA-N 1 0 397.321 2.063 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442966830 532738308 /nfs/dbraw/zinc/73/83/08/532738308.db2.gz OPZKILFPPLDAIL-LLVKDONJSA-N 1 0 393.912 2.040 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614505793 532739630 /nfs/dbraw/zinc/73/96/30/532739630.db2.gz AUAHYONMFGPPLG-OAHLLOKOSA-N 1 0 384.293 2.027 20 0 GEADRO Cc1nc2ccc(NC(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)cc2s1 ZINC000267347035 532739726 /nfs/dbraw/zinc/73/97/26/532739726.db2.gz QNHTYDINQLSHRX-QGZVFWFLSA-N 1 0 378.523 2.097 20 0 GEADRO O=C(CCCc1ccc(Br)s1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614511553 532740081 /nfs/dbraw/zinc/74/00/81/532740081.db2.gz JRJFSDOENCVYIL-ZDUSSCGKSA-N 1 0 386.359 2.339 20 0 GEADRO O=C(CCOc1ccccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267363453 532741072 /nfs/dbraw/zinc/74/10/72/532741072.db2.gz LZMMKNSUIKNWHN-OAHLLOKOSA-N 1 0 397.313 2.399 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000675777776 532741158 /nfs/dbraw/zinc/74/11/58/532741158.db2.gz XVURWRBTLPXUNG-UHFFFAOYSA-N 1 0 386.945 2.402 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000502858729 532741841 /nfs/dbraw/zinc/74/18/41/532741841.db2.gz SXSNZCNBGWZIOE-ZYHUDNBSSA-N 1 0 375.803 2.384 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(Br)cc1 ZINC000502857320 532741972 /nfs/dbraw/zinc/74/19/72/532741972.db2.gz SQMPKZNWOGGAGR-SWLSCSKDSA-N 1 0 376.316 2.364 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000286562471 532755381 /nfs/dbraw/zinc/75/53/81/532755381.db2.gz SKBCGLPGPZWCGK-KGLIPLIRSA-N 1 0 396.329 2.427 20 0 GEADRO C[C@H]1CN(C(=O)c2ncsc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000581507981 532756884 /nfs/dbraw/zinc/75/68/84/532756884.db2.gz UJXUOAVKRGEZCE-RYUDHWBXSA-N 1 0 387.347 2.004 20 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Cc1cc(Cl)c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000453816258 532777157 /nfs/dbraw/zinc/77/71/57/532777157.db2.gz IKCUVYDTQWNLAU-GFCCVEGCSA-N 1 0 388.295 2.203 20 0 GEADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512210244 532777154 /nfs/dbraw/zinc/77/71/54/532777154.db2.gz FKAYFKRHOZKDMR-AWEZNQCLSA-N 1 0 376.284 2.488 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000269240600 532777286 /nfs/dbraw/zinc/77/72/86/532777286.db2.gz XOSMBXPDTAXVAE-DYVFJYSZSA-N 1 0 386.323 2.483 20 0 GEADRO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000453819800 532777375 /nfs/dbraw/zinc/77/73/75/532777375.db2.gz NFSLRXDGZINQDZ-ZDUSSCGKSA-N 1 0 388.295 2.203 20 0 GEADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc(Br)cc1Br ZINC000310292585 532777374 /nfs/dbraw/zinc/77/73/74/532777374.db2.gz ZRLRZYFWLJMENG-ZETCQYMHSA-N 1 0 386.109 2.227 20 0 GEADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2Cl)CCCO1 ZINC000313346575 532778251 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C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620489598 532764010 /nfs/dbraw/zinc/76/40/10/532764010.db2.gz UEADIJXEPMZARZ-CJNGLKHVSA-N 1 0 397.313 2.274 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)CCO1 ZINC000620971962 532765361 /nfs/dbraw/zinc/76/53/61/532765361.db2.gz UESVCERPRALQAC-GDBMZVCRSA-N 1 0 397.313 2.494 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000542138044 532765692 /nfs/dbraw/zinc/76/56/92/532765692.db2.gz QBJMRHRXEJCRIO-BXUZGUMPSA-N 1 0 389.315 2.333 20 0 GEADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000583751451 532766199 /nfs/dbraw/zinc/76/61/99/532766199.db2.gz XTKAULIUSMXBMH-CHWSQXEVSA-N 1 0 395.297 2.489 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621101220 532766210 /nfs/dbraw/zinc/76/62/10/532766210.db2.gz GPQNBKVHERILFU-OAHLLOKOSA-N 1 0 384.929 2.352 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1(C)C ZINC000509061723 532766503 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CC(C)Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cn1 ZINC000509411483 532768399 /nfs/dbraw/zinc/76/83/99/532768399.db2.gz UBHSPCLQMRLMLC-UHFFFAOYSA-N 1 0 388.896 2.400 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cc(O)cc(F)c1)c1ccc(F)cc1Cl ZINC000509402529 532768474 /nfs/dbraw/zinc/76/84/74/532768474.db2.gz KOYLHNXRLLFSFD-UHFFFAOYSA-N 1 0 376.812 2.392 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000584528279 532768903 /nfs/dbraw/zinc/76/89/03/532768903.db2.gz LXXSTOFDKIQCCH-GJZGRUSLSA-N 1 0 394.313 2.027 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000509406750 532769052 /nfs/dbraw/zinc/76/90/52/532769052.db2.gz VPWKHPGCMALFBT-STQMWFEESA-N 1 0 387.571 2.192 20 0 GEADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000411612448 532769277 /nfs/dbraw/zinc/76/92/77/532769277.db2.gz OTEMDOICCFSRPT-ZDUSSCGKSA-N 1 0 381.420 2.229 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1nc2c(cccc2Br)s1 ZINC000584578455 532769713 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GEADRO COCC[N@H+](C)CCNC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000588981526 532773780 /nfs/dbraw/zinc/77/37/80/532773780.db2.gz LPCZBRZQXANVKF-PHIMTYICSA-N 1 0 379.345 2.337 20 0 GEADRO CC(C)CN(C(=O)C[NH2+][C@H](c1cccs1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000542511887 532774474 /nfs/dbraw/zinc/77/44/74/532774474.db2.gz XJBHVWGRVVNSND-YJBOKZPZSA-N 1 0 384.567 2.461 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411995191 532783259 /nfs/dbraw/zinc/78/32/59/532783259.db2.gz PEDMXQTZDXPZRM-CZUORRHYSA-N 1 0 375.296 2.329 20 0 GEADRO Cc1ccc(NC(=O)C[NH2+]C(C)(C)CN2CCOCC2)c(Br)c1 ZINC000412000618 532783553 /nfs/dbraw/zinc/78/35/53/532783553.db2.gz DUJNQKBYKVPSJA-UHFFFAOYSA-N 1 0 384.318 2.396 20 0 GEADRO CC[NH+](CC)CC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000456739676 532783735 /nfs/dbraw/zinc/78/37/35/532783735.db2.gz ZPWVTQUJKTVJSF-CYBMUJFWSA-N 1 0 387.318 2.067 20 0 GEADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Cn2cc(Br)cn2)CC1 ZINC000269588588 532784240 /nfs/dbraw/zinc/78/42/40/532784240.db2.gz AQDVQLRAVUBVSJ-ZDUSSCGKSA-N 1 0 392.301 2.382 20 0 GEADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000287171345 532784621 /nfs/dbraw/zinc/78/46/21/532784621.db2.gz UQMFCWANVBSPJC-ZBFHGGJFSA-N 1 0 386.945 2.491 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000318123891 532784776 /nfs/dbraw/zinc/78/47/76/532784776.db2.gz XDLNBSOWPREBFH-RYUDHWBXSA-N 1 0 391.331 2.453 20 0 GEADRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000412081000 532785540 /nfs/dbraw/zinc/78/55/40/532785540.db2.gz LWJHSGGVMWOURH-NWDGAFQWSA-N 1 0 388.249 2.323 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nccn2c(Br)cnc12 ZINC000287197093 532786271 /nfs/dbraw/zinc/78/62/71/532786271.db2.gz PGHNSXGUJQQEAC-NWDGAFQWSA-N 1 0 378.274 2.191 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1nccn2c(Br)cnc12 ZINC000287197096 532786385 /nfs/dbraw/zinc/78/63/85/532786385.db2.gz PGHNSXGUJQQEAC-RYUDHWBXSA-N 1 0 378.274 2.191 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000319996271 532786525 /nfs/dbraw/zinc/78/65/25/532786525.db2.gz FOAMKVWOXBZBKT-WCQYABFASA-N 1 0 389.315 2.220 20 0 GEADRO CN(C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCSC1 ZINC000287251070 532788379 /nfs/dbraw/zinc/78/83/79/532788379.db2.gz XIZRFZCRGJKCOH-LSDHHAIUSA-N 1 0 381.567 2.040 20 0 GEADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1OC ZINC000325824196 532788885 /nfs/dbraw/zinc/78/88/85/532788885.db2.gz NLTJTOQMEMPEBU-CYBMUJFWSA-N 1 0 399.285 2.484 20 0 GEADRO COc1ccc(Br)c(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)c1 ZINC000325300261 532788970 /nfs/dbraw/zinc/78/89/70/532788970.db2.gz VLGFKGYKYUOYNP-PXAZEXFGSA-N 1 0 396.285 2.397 20 0 GEADRO C[N@H+](CCCCNC(=O)CNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000457190354 532789246 /nfs/dbraw/zinc/78/92/46/532789246.db2.gz UTPIEJZHOUSFJD-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000457203945 532789272 /nfs/dbraw/zinc/78/92/72/532789272.db2.gz JNCRXNANBWZUFA-LBPRGKRZSA-N 1 0 382.302 2.258 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000457203217 532789481 /nfs/dbraw/zinc/78/94/81/532789481.db2.gz ILOHSOUXORYFGZ-CQSZACIVSA-N 1 0 382.302 2.258 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000326862344 532790825 /nfs/dbraw/zinc/79/08/25/532790825.db2.gz VBTJHAYTYDOOKI-DZGCQCFKSA-N 1 0 386.901 2.279 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000287313850 532791304 /nfs/dbraw/zinc/79/13/04/532791304.db2.gz FCBOEUILSFKEJH-HIFRSBDPSA-N 1 0 384.322 2.304 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000458202938 532792531 /nfs/dbraw/zinc/79/25/31/532792531.db2.gz VHYIPXXDWIOAQX-UHFFFAOYSA-N 1 0 399.333 2.208 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000458767965 532795611 /nfs/dbraw/zinc/79/56/11/532795611.db2.gz VEZJAEUPKJXBNS-GXTWGEPZSA-N 1 0 386.334 2.158 20 0 GEADRO Cn1cc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c(C(F)(F)F)n1 ZINC000328709947 532795843 /nfs/dbraw/zinc/79/58/43/532795843.db2.gz BNSYAPMLIYGSBN-UHFFFAOYSA-N 1 0 380.436 2.078 20 0 GEADRO COc1cc(C(=O)N2CCN(c3nccn3C)CC2)sc1Br ZINC000270368330 532795984 /nfs/dbraw/zinc/79/59/84/532795984.db2.gz HGHXEFYFSSNFLL-UHFFFAOYSA-N 1 0 385.287 2.215 20 0 GEADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000411909589 532780078 /nfs/dbraw/zinc/78/00/78/532780078.db2.gz FZQBHVFRYJQIID-SWLSCSKDSA-N 1 0 389.279 2.244 20 0 GEADRO COC(=O)[C@@H]1CN(C)CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000411923151 532780439 /nfs/dbraw/zinc/78/04/39/532780439.db2.gz VSNKRTJQNNSKRX-OAHLLOKOSA-N 1 0 397.313 2.449 20 0 GEADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000411927946 532780544 /nfs/dbraw/zinc/78/05/44/532780544.db2.gz AKCONRKYMLMCEY-GXTWGEPZSA-N 1 0 382.302 2.036 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(I)cn3)CC[C@@H]21 ZINC000456016375 532781296 /nfs/dbraw/zinc/78/12/96/532781296.db2.gz PFXYXZUKMOTJST-FZMZJTMJSA-N 1 0 385.249 2.243 20 0 GEADRO CC[C@H](C(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1)[NH+](C)C ZINC000456485914 532781897 /nfs/dbraw/zinc/78/18/97/532781897.db2.gz HXVAQUIOLHSQCH-UKRRQHHQSA-N 1 0 387.318 2.065 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1nccn2c(Br)cnc12 ZINC000271223954 532805221 /nfs/dbraw/zinc/80/52/21/532805221.db2.gz DKSQWGBKODZOCJ-GFCCVEGCSA-N 1 0 380.290 2.438 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc1Cl ZINC000271519843 532807852 /nfs/dbraw/zinc/80/78/52/532807852.db2.gz CLJUSONCMQKIKQ-SNVBAGLBSA-N 1 0 392.283 2.023 20 0 GEADRO O=C(CN1CCC[C@@H]1CF)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000555685151 532808835 /nfs/dbraw/zinc/80/88/35/532808835.db2.gz CMFGYXKRMGPXHA-CYBMUJFWSA-N 1 0 375.275 2.471 20 0 GEADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271560803 532808973 /nfs/dbraw/zinc/80/89/73/532808973.db2.gz XROFWOGJXSZNAM-LLVKDONJSA-N 1 0 381.466 2.158 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000271548307 532809260 /nfs/dbraw/zinc/80/92/60/532809260.db2.gz UOTGQCDALKUVSF-OAHLLOKOSA-N 1 0 385.961 2.176 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000555696423 532809722 /nfs/dbraw/zinc/80/97/22/532809722.db2.gz DRGLAPFISVEDNY-UHFFFAOYSA-N 1 0 392.924 2.490 20 0 GEADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000555738448 532809834 /nfs/dbraw/zinc/80/98/34/532809834.db2.gz JVHXNBMHSDWEFU-BETUJISGSA-N 1 0 399.333 2.144 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1Br ZINC000271612554 532810317 /nfs/dbraw/zinc/81/03/17/532810317.db2.gz KKMJPWGYGXKBAI-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000287833691 532810913 /nfs/dbraw/zinc/81/09/13/532810913.db2.gz WGBJPOJULJMUCY-LLVKDONJSA-N 1 0 394.273 2.235 20 0 GEADRO O=C(C[NH2+]C1(CO)CCSCC1)N[C@H](c1nccs1)c1ccccc1 ZINC000459697266 532797314 /nfs/dbraw/zinc/79/73/14/532797314.db2.gz MBVFICQMRXUYLD-INIZCTEOSA-N 1 0 377.535 2.196 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)cn1 ZINC000459696767 532797402 /nfs/dbraw/zinc/79/74/02/532797402.db2.gz JYQSWRFUSWQFOZ-ZDUSSCGKSA-N 1 0 397.292 2.385 20 0 GEADRO COc1nccnc1C[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685508 532797407 /nfs/dbraw/zinc/79/74/07/532797407.db2.gz AUEXJDVCXJGPKI-GFCCVEGCSA-N 1 0 384.249 2.328 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccccc1Br ZINC000550820539 532798406 /nfs/dbraw/zinc/79/84/06/532798406.db2.gz KCUDVYMMBBHXMJ-OAHLLOKOSA-N 1 0 396.329 2.398 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1Br ZINC000287546075 532798995 /nfs/dbraw/zinc/79/89/95/532798995.db2.gz WWWMVXQILHINCH-BXUZGUMPSA-N 1 0 395.301 2.367 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000462066069 532800510 /nfs/dbraw/zinc/80/05/10/532800510.db2.gz DJSHORRXFAGQNE-LLVKDONJSA-N 1 0 385.477 2.071 20 0 GEADRO CC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000551570692 532800957 /nfs/dbraw/zinc/80/09/57/532800957.db2.gz ODNKKVQPAOKVOG-CQSZACIVSA-N 1 0 376.316 2.430 20 0 GEADRO C[N@H+](CC(=O)NCc1cc(Br)cc2c1OCC2)[C@H]1CCSC1 ZINC000462213837 532801943 /nfs/dbraw/zinc/80/19/43/532801943.db2.gz YFFDWNHMTKOWOY-AWEZNQCLSA-N 1 0 385.327 2.438 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)c1 ZINC000271036100 532803204 /nfs/dbraw/zinc/80/32/04/532803204.db2.gz YDTCVXPDMOKQFH-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000271036128 532803309 /nfs/dbraw/zinc/80/33/09/532803309.db2.gz YGJNZDOYWUXCKR-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000271172749 532803577 /nfs/dbraw/zinc/80/35/77/532803577.db2.gz XOMQAWJVQJRIGR-RHSMWYFYSA-N 1 0 397.313 2.317 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccsc2Br)CC[N@@H+]1C ZINC000287625139 532803615 /nfs/dbraw/zinc/80/36/15/532803615.db2.gz OYBHKYPEAPIBPT-JQWIXIFHSA-N 1 0 388.331 2.068 20 0 GEADRO CS[C@H]1CN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C[C@H]1[NH+](C)C ZINC000271189790 532804651 /nfs/dbraw/zinc/80/46/51/532804651.db2.gz VTSFGMQMYPBGOX-OLZOCXBDSA-N 1 0 384.571 2.174 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000287653229 532804827 /nfs/dbraw/zinc/80/48/27/532804827.db2.gz CIGWLUZUQAGQFT-UHFFFAOYSA-N 1 0 387.933 2.309 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)[C@H](C)C1 ZINC000554540228 532804904 /nfs/dbraw/zinc/80/49/04/532804904.db2.gz NTPFFKVNMRTIKU-OSRSDYAFSA-N 1 0 396.329 2.402 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cc(Br)cs1)CCO2 ZINC000272101399 532813309 /nfs/dbraw/zinc/81/33/09/532813309.db2.gz VPMAYKVWFKWTBK-YPMHNXCESA-N 1 0 380.329 2.337 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1Br)[N@H+](C)C1CC1 ZINC000287868910 532811857 /nfs/dbraw/zinc/81/18/57/532811857.db2.gz MNWHAIKCGOGYNI-LBPRGKRZSA-N 1 0 382.302 2.006 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000272210849 532813524 /nfs/dbraw/zinc/81/35/24/532813524.db2.gz HPFXNIUDLDYBMK-QWHCGFSZSA-N 1 0 387.933 2.178 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1Cl ZINC000272367219 532814894 /nfs/dbraw/zinc/81/48/94/532814894.db2.gz UCGWZVOPZUUNJQ-YGRLFVJLSA-N 1 0 386.279 2.493 20 0 GEADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCCC(C)(C)S(C)(=O)=O ZINC000413728675 532814085 /nfs/dbraw/zinc/81/40/85/532814085.db2.gz QWWWYXXTQHWNDG-UHFFFAOYSA-N 1 0 375.579 2.497 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000330344402 532817436 /nfs/dbraw/zinc/81/74/36/532817436.db2.gz CWXHPTJJXXTYMQ-LBPRGKRZSA-N 1 0 387.958 2.469 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cnc1Br ZINC000288112498 532817630 /nfs/dbraw/zinc/81/76/30/532817630.db2.gz JOARWMIEFSUZKK-TZMCWYRMSA-N 1 0 395.301 2.176 20 0 GEADRO COCCOc1ncccc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414072401 532818505 /nfs/dbraw/zinc/81/85/05/532818505.db2.gz MMUXBVJOMXZTCI-CYBMUJFWSA-N 1 0 396.285 2.209 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000414074648 532818520 /nfs/dbraw/zinc/81/85/20/532818520.db2.gz OEZGOBWXLAKHBW-GOEBONIOSA-N 1 0 379.298 2.440 20 0 GEADRO C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000272933585 532819617 /nfs/dbraw/zinc/81/96/17/532819617.db2.gz LFLXRGHMCDPYBW-WBMJQRKESA-N 1 0 382.302 2.432 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)[C@@H]1n1cccn1 ZINC000414149581 532819742 /nfs/dbraw/zinc/81/97/42/532819742.db2.gz UWWWTMDJUNCIRV-FAYQHZLMSA-N 1 0 395.301 2.204 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000288188772 532820282 /nfs/dbraw/zinc/82/02/82/532820282.db2.gz POESLZNNWVQKKR-CQSZACIVSA-N 1 0 375.485 2.176 20 0 GEADRO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)Cn1ccnn1 ZINC000414196763 532820394 /nfs/dbraw/zinc/82/03/94/532820394.db2.gz VHIXYIXTAQZZJB-IAGOWNOFSA-N 1 0 395.301 2.159 20 0 GEADRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414204839 532820430 /nfs/dbraw/zinc/82/04/30/532820430.db2.gz HVWDQOAKOGGNHK-WQAKAFBOSA-N 1 0 377.304 2.315 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC000273145482 532820434 /nfs/dbraw/zinc/82/04/34/532820434.db2.gz VNLBDVMIBWKDSX-INIZCTEOSA-N 1 0 399.310 2.051 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000414050258 532818223 /nfs/dbraw/zinc/81/82/23/532818223.db2.gz HFDAIEJUUUXTML-GXTWGEPZSA-N 1 0 379.254 2.429 20 0 GEADRO CC(C)[NH+](CCNCc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000414261299 532821198 /nfs/dbraw/zinc/82/11/98/532821198.db2.gz NSKCJGCJWVDEKD-UHFFFAOYSA-N 1 0 392.363 2.305 20 0 GEADRO C[NH+](C)C1(CNCc2ccc(S(N)(=O)=O)c(Br)c2)CCCC1 ZINC000414257333 532821281 /nfs/dbraw/zinc/82/12/81/532821281.db2.gz KXVWPTDRVHELOM-UHFFFAOYSA-N 1 0 390.347 2.061 20 0 GEADRO CN(CC(F)(F)Br)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000288226631 532821318 /nfs/dbraw/zinc/82/13/18/532821318.db2.gz RYAPZIHWHSXTLO-UHFFFAOYSA-N 1 0 392.244 2.175 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000330601739 532822148 /nfs/dbraw/zinc/82/21/48/532822148.db2.gz GUVSAXRTSZJRCJ-HUUCEWRRSA-N 1 0 391.331 2.278 20 0 GEADRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414366788 532822255 /nfs/dbraw/zinc/82/22/55/532822255.db2.gz QVCCICWGUSKWMB-NSHDSACASA-N 1 0 384.299 2.212 20 0 GEADRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C2 ZINC000414365315 532822287 /nfs/dbraw/zinc/82/22/87/532822287.db2.gz KOABCPXSIUXJOI-CYBMUJFWSA-N 1 0 382.869 2.089 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)Nc1ccc(F)cc1Cl ZINC000330614165 532822304 /nfs/dbraw/zinc/82/23/04/532822304.db2.gz SPQXNFOBGLLHBX-LKTVYLICSA-N 1 0 391.896 2.256 20 0 GEADRO CCOCCC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000414360703 532822485 /nfs/dbraw/zinc/82/24/85/532822485.db2.gz OCOUCDCIKGQHHY-UHFFFAOYSA-N 1 0 391.331 2.393 20 0 GEADRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000414365622 532822556 /nfs/dbraw/zinc/82/25/56/532822556.db2.gz MIYVBLGSWNOOJA-CMPLNLGQSA-N 1 0 377.304 2.001 20 0 GEADRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414366787 532822614 /nfs/dbraw/zinc/82/26/14/532822614.db2.gz QVCCICWGUSKWMB-LLVKDONJSA-N 1 0 384.299 2.212 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000330617637 532822626 /nfs/dbraw/zinc/82/26/26/532822626.db2.gz XEZOEXJQPUQALF-LSDHHAIUSA-N 1 0 391.331 2.278 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+]C3CCN(C(N)=O)CC3)nc12 ZINC000273410772 532823491 /nfs/dbraw/zinc/82/34/91/532823491.db2.gz HTDKJIWQLDRGGW-UHFFFAOYSA-N 1 0 380.290 2.080 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000330660754 532824406 /nfs/dbraw/zinc/82/44/06/532824406.db2.gz BNRMXCPDFLVGIT-VXGBXAGGSA-N 1 0 388.559 2.136 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(OC)c(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000330685569 532825646 /nfs/dbraw/zinc/82/56/46/532825646.db2.gz LLURORMLXDDCLB-GXTWGEPZSA-N 1 0 385.302 2.375 20 0 GEADRO CS[C@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000273549948 532826057 /nfs/dbraw/zinc/82/60/57/532826057.db2.gz VKDOTRJKYMJNSQ-STQMWFEESA-N 1 0 386.315 2.202 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCN(CCCc2ccccc2Br)CC1 ZINC000273425459 532824106 /nfs/dbraw/zinc/82/41/06/532824106.db2.gz ZLSKOAYVYZOJJE-UHFFFAOYSA-N 1 0 382.346 2.478 20 0 GEADRO COC(=O)[C@H]1CN(Cc2cc(Br)c(OC)s2)CC[N@H+](C)C1 ZINC000414490662 532830672 /nfs/dbraw/zinc/83/06/72/532830672.db2.gz OTQGUCRAIVTTMP-SNVBAGLBSA-N 1 0 377.304 2.056 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CNC(=O)C1 ZINC000414490511 532830807 /nfs/dbraw/zinc/83/08/07/532830807.db2.gz XTVWOLHXOKEIHS-ZDUSSCGKSA-N 1 0 377.286 2.477 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000288483644 532829439 /nfs/dbraw/zinc/82/94/39/532829439.db2.gz XXYBZDHCOSKZBQ-UHFFFAOYSA-N 1 0 384.322 2.161 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(CC[NH+](C)C)C2CC2)cc1Cl ZINC000414465266 532829472 /nfs/dbraw/zinc/82/94/72/532829472.db2.gz RDAAKNZVKBGIJC-UHFFFAOYSA-N 1 0 377.869 2.152 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ccc(C)nn1 ZINC000414464838 532829490 /nfs/dbraw/zinc/82/94/90/532829490.db2.gz VJYBYNWLECBFSU-ZDUSSCGKSA-N 1 0 380.286 2.497 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000414465767 532829529 /nfs/dbraw/zinc/82/95/29/532829529.db2.gz SMUMDIZXNXYPTG-RYUDHWBXSA-N 1 0 383.258 2.488 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c(Cl)cc1F ZINC000330997836 532831567 /nfs/dbraw/zinc/83/15/67/532831567.db2.gz MTMCVTKNEIWBBQ-INIZCTEOSA-N 1 0 391.940 2.338 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCC1 ZINC000414554834 532831725 /nfs/dbraw/zinc/83/17/25/532831725.db2.gz LNXOZGRDMOQHKX-UHFFFAOYSA-N 1 0 386.315 2.401 20 0 GEADRO OC[C@H]([NH2+]Cc1ncc(Br)cc1Br)[C@@H]1CCCOC1 ZINC000414552593 532831906 /nfs/dbraw/zinc/83/19/06/532831906.db2.gz KMLQMNLMLDMABA-RNCFNFMXSA-N 1 0 394.107 2.484 20 0 GEADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc(Br)cn1 ZINC000331004985 532831987 /nfs/dbraw/zinc/83/19/87/532831987.db2.gz PGNFEAKLTCVJSP-UHFFFAOYSA-N 1 0 376.320 2.339 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000414560579 532832318 /nfs/dbraw/zinc/83/23/18/532832318.db2.gz QYHWCVSDDNLPBG-KSSFIOAISA-N 1 0 394.313 2.427 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]([NH3+])CCC(=O)OC ZINC000288591654 532832818 /nfs/dbraw/zinc/83/28/18/532832818.db2.gz JQAVWBIRNCQWBE-CYBMUJFWSA-N 1 0 375.238 2.217 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414734987 532834441 /nfs/dbraw/zinc/83/44/41/532834441.db2.gz FJMHANCMUCVAJB-OAHLLOKOSA-N 1 0 389.949 2.028 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414733135 532834943 /nfs/dbraw/zinc/83/49/43/532834943.db2.gz CPYQGXQBTXDECD-UHFFFAOYSA-N 1 0 389.949 2.043 20 0 GEADRO CCOc1cc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc(Br)c1O ZINC000331162739 532834690 /nfs/dbraw/zinc/83/46/90/532834690.db2.gz XHFNACZCOTVPDQ-QWHCGFSZSA-N 1 0 387.318 2.440 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414935827 532835916 /nfs/dbraw/zinc/83/59/16/532835916.db2.gz WHNOLAQUBJHSSN-LBPRGKRZSA-N 1 0 385.306 2.263 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCS1 ZINC000414910121 532836116 /nfs/dbraw/zinc/83/61/16/532836116.db2.gz RUJWQYCIWLNVPR-ZDUSSCGKSA-N 1 0 375.416 2.457 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ncc1F ZINC000273868670 532836200 /nfs/dbraw/zinc/83/62/00/532836200.db2.gz NVEVZYQTDWKFSY-UWVGGRQHSA-N 1 0 380.283 2.058 20 0 GEADRO COC[C@@]1(CNCc2ccc(Br)cc2N2CCOCC2)CCC[NH2+]1 ZINC000414943209 532836397 /nfs/dbraw/zinc/83/63/97/532836397.db2.gz CRMJIAKBPPYLMY-SFHVURJKSA-N 1 0 398.345 2.144 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000331227482 532836444 /nfs/dbraw/zinc/83/64/44/532836444.db2.gz NTKYKSHWOGTAKK-NSHDSACASA-N 1 0 398.331 2.437 20 0 GEADRO CCOc1cc(Br)c(NC(=O)N(C)C[C@@H](O)C[NH3+])cc1OCC ZINC000415017378 532836475 /nfs/dbraw/zinc/83/64/75/532836475.db2.gz PYTMWVTUHFISFW-JTQLQIEISA-N 1 0 390.278 2.030 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414733396 532834973 /nfs/dbraw/zinc/83/49/73/532834973.db2.gz VMWRRUXPSAJJEQ-UHFFFAOYSA-N 1 0 392.253 2.285 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331182348 532835323 /nfs/dbraw/zinc/83/53/23/532835323.db2.gz ZLNVVIDWDJUIEE-GFCCVEGCSA-N 1 0 380.229 2.281 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)s1 ZINC000288685865 532835332 /nfs/dbraw/zinc/83/53/32/532835332.db2.gz NAUAODFKIZZSJH-KBPBESRZSA-N 1 0 385.555 2.310 20 0 GEADRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Br)ncc1F ZINC000273880292 532836675 /nfs/dbraw/zinc/83/66/75/532836675.db2.gz QWLDHOSRELVCOK-LLVKDONJSA-N 1 0 387.297 2.186 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccncc3I)[C@@H]2C1 ZINC000273904149 532836794 /nfs/dbraw/zinc/83/67/94/532836794.db2.gz STFHEQHMDBUSLI-ZWNOBZJWSA-N 1 0 386.237 2.244 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000273925493 532836980 /nfs/dbraw/zinc/83/69/80/532836980.db2.gz JYUMZQMDQJLEEW-UHFFFAOYSA-N 1 0 393.278 2.137 20 0 GEADRO COc1ccc(I)c(NC(=O)NC2CC[NH2+]CC2)c1 ZINC000415069412 532837169 /nfs/dbraw/zinc/83/71/69/532837169.db2.gz GDWOOWPMGSHCOI-UHFFFAOYSA-N 1 0 375.210 2.173 20 0 GEADRO [NH3+][C@@H](CNC(=O)Nc1cc(F)c(I)c(F)c1)C1CC1 ZINC000415111073 532837939 /nfs/dbraw/zinc/83/79/39/532837939.db2.gz BOMHIKYXGDVBLW-JTQLQIEISA-N 1 0 381.164 2.428 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCCO[C@@H](C[NH3+])C1 ZINC000415104022 532837973 /nfs/dbraw/zinc/83/79/73/532837973.db2.gz GHYXSTBGKZHSNU-KRWDZBQOSA-N 1 0 379.302 2.493 20 0 GEADRO COc1cc(Br)ccc1CN1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415103238 532838071 /nfs/dbraw/zinc/83/80/71/532838071.db2.gz CYAPWNMHWJPEHY-HNNXBMFYSA-N 1 0 380.290 2.345 20 0 GEADRO COc1c(Br)cc(Br)cc1CNC[C@H]1C[NH2+]CCO1 ZINC000415094480 532838105 /nfs/dbraw/zinc/83/81/05/532838105.db2.gz KAIQLZHLRLKZFF-LLVKDONJSA-N 1 0 394.107 2.298 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000288776296 532838257 /nfs/dbraw/zinc/83/82/57/532838257.db2.gz PQPPIMNXUUDKOY-KGLIPLIRSA-N 1 0 375.252 2.174 20 0 GEADRO O=C1N[C@H]2CN(Cc3csc(Br)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134824 532838648 /nfs/dbraw/zinc/83/86/48/532838648.db2.gz FBXUCVZOHZIEHG-UONOGXRCSA-N 1 0 399.358 2.231 20 0 GEADRO C[NH+](C)CCCN(C(=O)[C@@H]1CCCc2sccc21)[C@H]1CCS(=O)(=O)C1 ZINC000331427442 532839102 /nfs/dbraw/zinc/83/91/02/532839102.db2.gz IKQXQNNXRJGASZ-GOEBONIOSA-N 1 0 384.567 2.135 20 0 GEADRO CC(C)(C)c1cnc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000415225151 532839114 /nfs/dbraw/zinc/83/91/14/532839114.db2.gz UILXWJRKZRNOLZ-SNVBAGLBSA-N 1 0 379.452 2.398 20 0 GEADRO O=C(N[C@H]1COc2cc(F)cc(F)c21)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000359975247 209209873 /nfs/dbraw/zinc/20/98/73/209209873.db2.gz 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[NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCCCC1 ZINC000415279356 532840479 /nfs/dbraw/zinc/84/04/79/532840479.db2.gz JDFRPLREQKLFQN-UHFFFAOYSA-N 1 0 390.228 2.444 20 0 GEADRO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCC[NH+](C)C)c2)C1 ZINC000045164597 212042604 /nfs/dbraw/zinc/04/26/04/212042604.db2.gz BCIZGJVFMNXPFS-HOTGVXAUSA-N 1 0 381.542 2.035 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000415303671 532840645 /nfs/dbraw/zinc/84/06/45/532840645.db2.gz SSBAOJXSCQTFMZ-GFCCVEGCSA-N 1 0 378.885 2.146 20 0 GEADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)C(=O)NCCC[NH3+])c1C ZINC000415289267 532840913 /nfs/dbraw/zinc/84/09/13/532840913.db2.gz BQGBPBGTOQEGDB-UHFFFAOYSA-N 1 0 384.267 2.199 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000415294921 532841017 /nfs/dbraw/zinc/84/10/17/532841017.db2.gz GMVCBXOLLGCYKA-VIFPVBQESA-N 1 0 394.191 2.227 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000415285638 532841039 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CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415363421 532842998 /nfs/dbraw/zinc/84/29/98/532842998.db2.gz WWCDHIFEERRAAE-YPMHNXCESA-N 1 0 382.302 2.454 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415370034 532843124 /nfs/dbraw/zinc/84/31/24/532843124.db2.gz DDJWTJFKHSFPEL-NSHDSACASA-N 1 0 391.269 2.146 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000415377308 532843109 /nfs/dbraw/zinc/84/31/09/532843109.db2.gz LUXIQADRLGIYDQ-GFCCVEGCSA-N 1 0 384.274 2.043 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000415379327 532843192 /nfs/dbraw/zinc/84/31/92/532843192.db2.gz OEXAFLKPJIYRFR-JTQLQIEISA-N 1 0 379.766 2.088 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415363983 532843166 /nfs/dbraw/zinc/84/31/66/532843166.db2.gz RMGSSFKNQZLRPL-LLVKDONJSA-N 1 0 375.803 2.133 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000288963440 532843361 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C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415399205 532843917 /nfs/dbraw/zinc/84/39/17/532843917.db2.gz UFRRTSLGWAWQAM-QMMMGPOBSA-N 1 0 392.656 2.248 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415392732 532843950 /nfs/dbraw/zinc/84/39/50/532843950.db2.gz YFTLFWOBTRXODU-NSHDSACASA-N 1 0 398.301 2.290 20 0 GEADRO CCCN(C(=O)C(=O)Nc1c(F)ccc(C)c1Br)[C@H]1CC[NH2+]C1 ZINC000415400410 532844122 /nfs/dbraw/zinc/84/41/22/532844122.db2.gz ZKIYEGCHYQVVPV-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(F)cc(F)c1Br)[C@@H]1CC[NH2+]C1 ZINC000415396338 532844145 /nfs/dbraw/zinc/84/41/45/532844145.db2.gz UHYLMVBJQDAVHM-SNVBAGLBSA-N 1 0 390.228 2.266 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2OC(C)C)C1 ZINC000415403293 532844237 /nfs/dbraw/zinc/84/42/37/532844237.db2.gz ZSEOIYWUOUKMMW-LBPRGKRZSA-N 1 0 398.301 2.243 20 0 GEADRO Cc1cc(F)c(NC(=O)NC[C@@H]2CC[NH2+]C2)c(I)c1 ZINC000415393628 532844163 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CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415423141 532844910 /nfs/dbraw/zinc/84/49/10/532844910.db2.gz XXVZKIFMTVXVKL-QMMMGPOBSA-N 1 0 392.681 2.245 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415424575 532844975 /nfs/dbraw/zinc/84/49/75/532844975.db2.gz IJHLKEYDAGZTNV-SECBINFHSA-N 1 0 378.217 2.155 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NCC3=CC[N@H+](C)CC3)nc12 ZINC000274226496 532845117 /nfs/dbraw/zinc/84/51/17/532845117.db2.gz PJVDQGTWSQOOFY-UHFFFAOYSA-N 1 0 392.301 2.466 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)C[N@@H+]1C1CC1 ZINC000289031662 532845334 /nfs/dbraw/zinc/84/53/34/532845334.db2.gz VYFQRCBSKQVBHI-OCCSQVGLSA-N 1 0 394.313 2.149 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)c(F)cc1Br ZINC000289057671 532845702 /nfs/dbraw/zinc/84/57/02/532845702.db2.gz CIMXCOWDBVZTQU-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)n1 ZINC000415444010 532845794 /nfs/dbraw/zinc/84/57/94/532845794.db2.gz DEMALVQPHYZKAE-AWEZNQCLSA-N 1 0 376.507 2.395 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415446547 532845871 /nfs/dbraw/zinc/84/58/71/532845871.db2.gz PLYWYUPXGJMGRS-SMDDNHRTSA-N 1 0 394.313 2.462 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC[C@@H]1[NH3+] ZINC000415450792 532845911 /nfs/dbraw/zinc/84/59/11/532845911.db2.gz KIBPCNUDJPZBLO-KOLCDFICSA-N 1 0 375.416 2.317 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415447375 532845927 /nfs/dbraw/zinc/84/59/27/532845927.db2.gz IWAWRBDJVHVNFK-UHFFFAOYSA-N 1 0 380.286 2.378 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415447359 532846084 /nfs/dbraw/zinc/84/60/84/532846084.db2.gz QDRVOCVGBIDGNZ-RYUDHWBXSA-N 1 0 398.301 2.372 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000331971911 532846992 /nfs/dbraw/zinc/84/69/92/532846992.db2.gz UNKRIZOBJTZDIS-WQVCFCJDSA-N 1 0 394.313 2.308 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)Cn2cccn2)CC1 ZINC000274257770 532846515 /nfs/dbraw/zinc/84/65/15/532846515.db2.gz JKMAIUNQDIZDCB-UHFFFAOYSA-N 1 0 378.274 2.036 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000415459441 532846535 /nfs/dbraw/zinc/84/65/35/532846535.db2.gz ZKZUDEWYHFEQKQ-VHSXEESVSA-N 1 0 375.803 2.466 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415478078 532846886 /nfs/dbraw/zinc/84/68/86/532846886.db2.gz CHCUQPCLBWODDZ-UHFFFAOYSA-N 1 0 390.267 2.162 20 0 GEADRO Cn1ncc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1Br ZINC000274254556 532846383 /nfs/dbraw/zinc/84/63/83/532846383.db2.gz UCSJMQQRVWXUOB-UHFFFAOYSA-N 1 0 381.274 2.053 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415494751 532847367 /nfs/dbraw/zinc/84/73/67/532847367.db2.gz IGHBNZPRKKUQOJ-SNVBAGLBSA-N 1 0 383.905 2.374 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1Br ZINC000331987858 532847526 /nfs/dbraw/zinc/84/75/26/532847526.db2.gz DLLHRFPAXVCZPH-OCCSQVGLSA-N 1 0 380.286 2.249 20 0 GEADRO CC[N@H+]1C[C@@H](C)N(Cc2nnnn2-c2ccccc2Br)[C@@H](C)C1 ZINC000331985179 532847565 /nfs/dbraw/zinc/84/75/65/532847565.db2.gz TVMLDAXCSJYVSI-BETUJISGSA-N 1 0 379.306 2.339 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000415477807 532847018 /nfs/dbraw/zinc/84/70/18/532847018.db2.gz OBRJSZBVIGSHRO-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415480915 532847070 /nfs/dbraw/zinc/84/70/70/532847070.db2.gz AFZQADBSEDRQJV-LLVKDONJSA-N 1 0 391.269 2.146 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000415481048 532847127 /nfs/dbraw/zinc/84/71/27/532847127.db2.gz JYYODAXDOZWYDK-SNVBAGLBSA-N 1 0 379.766 2.169 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415496776 532847703 /nfs/dbraw/zinc/84/77/03/532847703.db2.gz KTPGTJKWOAQAOA-SECBINFHSA-N 1 0 378.217 2.300 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274324702 532848044 /nfs/dbraw/zinc/84/80/44/532848044.db2.gz HMRDQNVVJBWSSJ-SECBINFHSA-N 1 0 391.697 2.283 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415501301 532847746 /nfs/dbraw/zinc/84/77/46/532847746.db2.gz ODSMSOYLVGXWFR-ZETCQYMHSA-N 1 0 388.266 2.918 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415498433 532847864 /nfs/dbraw/zinc/84/78/64/532847864.db2.gz QHROICPOTRTOAU-VIFPVBQESA-N 1 0 392.656 2.391 20 0 GEADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000415506915 532848255 /nfs/dbraw/zinc/84/82/55/532848255.db2.gz SJSHTNNJZMTFQI-UHFFFAOYSA-N 1 0 385.917 2.357 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)Nc2nnc(-c3cc(Br)ccc3F)s2)C1 ZINC000415507522 532848260 /nfs/dbraw/zinc/84/82/60/532848260.db2.gz VRHSDSISVSOYIY-QMMMGPOBSA-N 1 0 386.250 2.672 20 0 GEADRO COCCOCCOCCC[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000274359905 532848298 /nfs/dbraw/zinc/84/82/98/532848298.db2.gz DAJWBZWSKGRFMO-UHFFFAOYSA-N 1 0 390.274 2.337 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415505883 532848309 /nfs/dbraw/zinc/84/83/09/532848309.db2.gz QYNSAFSQBAMLCM-LBPRGKRZSA-N 1 0 392.244 2.498 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415509710 532848353 /nfs/dbraw/zinc/84/83/53/532848353.db2.gz IGNJCZGDBKRGPG-ZETCQYMHSA-N 1 0 382.180 2.117 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415513833 532848397 /nfs/dbraw/zinc/84/83/97/532848397.db2.gz BEAPCFKQBOXORX-NWDGAFQWSA-N 1 0 398.301 2.371 20 0 GEADRO CN(C(=O)Nc1nc2ccc(I)cc2s1)C1C[NH2+]C1 ZINC000415528913 532848688 /nfs/dbraw/zinc/84/86/88/532848688.db2.gz NRNGPDBEZWUEDX-UHFFFAOYSA-N 1 0 388.234 2.336 20 0 GEADRO O=C(Nc1ccnn1Cc1ccccc1Br)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415525012 532848920 /nfs/dbraw/zinc/84/89/20/532848920.db2.gz UTBMJWOFPGOEGK-OKILXGFUSA-N 1 0 390.285 2.377 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000332090325 532849035 /nfs/dbraw/zinc/84/90/35/532849035.db2.gz UZMKLSQPOZYWDY-HZPDHXFCSA-N 1 0 383.539 2.079 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415533545 532848779 /nfs/dbraw/zinc/84/87/79/532848779.db2.gz BENLVDDUAKHIBS-BDAKNGLRSA-N 1 0 379.766 2.373 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000332098396 532848863 /nfs/dbraw/zinc/84/88/63/532848863.db2.gz BJDYXOWQJXQMOD-HNNXBMFYSA-N 1 0 397.317 2.494 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000415536489 532849304 /nfs/dbraw/zinc/84/93/04/532849304.db2.gz FJOGQVCEWCMOCC-FUNVUKJBSA-N 1 0 380.286 2.437 20 0 GEADRO CCC(CC)[C@H](CNC(=O)Cc1cc(OC)ccc1OC)[NH+]1CCOCC1 ZINC000097090725 211357543 /nfs/dbraw/zinc/35/75/43/211357543.db2.gz FKCLYBYPKVSTDH-IBGZPJMESA-N 1 0 378.513 2.500 20 0 GEADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415534104 532849319 /nfs/dbraw/zinc/84/93/19/532849319.db2.gz UXTPSNWYAKZWQS-OKILXGFUSA-N 1 0 390.285 2.377 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000332178105 532849718 /nfs/dbraw/zinc/84/97/18/532849718.db2.gz NZPIZPCDFOKHCO-SUHUHFCYSA-N 1 0 386.905 2.303 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)[C@@H](C)C[NH2+]1 ZINC000415549113 532849769 /nfs/dbraw/zinc/84/97/69/532849769.db2.gz AZRNMFLLVNJQGZ-UWVGGRQHSA-N 1 0 375.416 2.330 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415554141 532849857 /nfs/dbraw/zinc/84/98/57/532849857.db2.gz AZOIZJIFKAXPLT-YUMQZZPRSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000415552403 532850035 /nfs/dbraw/zinc/85/00/35/532850035.db2.gz FPFUZWRTPQEUQP-SFYZADRCSA-N 1 0 392.656 2.389 20 0 GEADRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000274413878 532850024 /nfs/dbraw/zinc/85/00/24/532850024.db2.gz JMYRXZNXRDCYPH-SSDOTTSWSA-N 1 0 379.096 2.408 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)[C@@H](C)C[NH2+]1 ZINC000415556313 532850079 /nfs/dbraw/zinc/85/00/79/532850079.db2.gz IDTFMMBEMVOEJN-ZJUUUORDSA-N 1 0 375.803 2.131 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CCC1 ZINC000415570179 532850587 /nfs/dbraw/zinc/85/05/87/532850587.db2.gz XVGXDPBCNSQSHR-UHFFFAOYSA-N 1 0 379.766 2.217 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)c(F)cc1Br ZINC000415577322 532850691 /nfs/dbraw/zinc/85/06/91/532850691.db2.gz XTUQAZUWDMXNAD-MRXNPFEDSA-N 1 0 386.265 2.341 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)nc12 ZINC000332256028 532850957 /nfs/dbraw/zinc/85/09/57/532850957.db2.gz CRXPYMLUHQMEKT-NEPJUHHUSA-N 1 0 380.290 2.297 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+][C@@H](C)[C@H]3C)nc12 ZINC000332281521 532851173 /nfs/dbraw/zinc/85/11/73/532851173.db2.gz IAVGDWJHZQOJHA-NWDGAFQWSA-N 1 0 380.290 2.297 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000415641949 532851641 /nfs/dbraw/zinc/85/16/41/532851641.db2.gz UZUUIFMSIFRGGA-NEPJUHHUSA-N 1 0 379.262 2.421 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415640493 532851683 /nfs/dbraw/zinc/85/16/83/532851683.db2.gz VGLATVNOHJKGDQ-WDEREUQCSA-N 1 0 384.274 2.091 20 0 GEADRO Cn1nncc1C(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000415618814 532851452 /nfs/dbraw/zinc/85/14/52/532851452.db2.gz XRGZBABTHGRVNW-UHFFFAOYSA-N 1 0 395.305 2.207 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(Br)cc3F)CC2)C1=O ZINC000332278650 532851505 /nfs/dbraw/zinc/85/15/05/532851505.db2.gz GYCLBVCSGDGQRF-OAHLLOKOSA-N 1 0 398.276 2.013 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274550135 532851862 /nfs/dbraw/zinc/85/18/62/532851862.db2.gz DIYZVPFSPGLVDF-VIFPVBQESA-N 1 0 391.697 2.283 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415641746 532851926 /nfs/dbraw/zinc/85/19/26/532851926.db2.gz GGWOXVWILJUPPU-DTWKUNHWSA-N 1 0 376.201 2.052 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415647548 532852085 /nfs/dbraw/zinc/85/20/85/532852085.db2.gz ATPJWXDBAAQGKR-ZWNOBZJWSA-N 1 0 391.269 2.050 20 0 GEADRO Cc1cc(I)ccc1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000332343112 532852131 /nfs/dbraw/zinc/85/21/31/532852131.db2.gz TXKIPGYVLAWIOI-LBPRGKRZSA-N 1 0 389.237 2.181 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415656930 532852290 /nfs/dbraw/zinc/85/22/90/532852290.db2.gz POYSYDNHUIXWLW-CPCISQLKSA-N 1 0 392.656 2.294 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332345834 532852469 /nfs/dbraw/zinc/85/24/69/532852469.db2.gz NWLXEYQHUOMFSX-IACUBPJLSA-N 1 0 380.286 2.282 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(Br)ccc3F)CC2)C1=O ZINC000332346505 532852472 /nfs/dbraw/zinc/85/24/72/532852472.db2.gz XHCAVPZQTGZEKO-HNNXBMFYSA-N 1 0 398.276 2.013 20 0 GEADRO Cc1cc(I)cc(NC(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000332357497 532852596 /nfs/dbraw/zinc/85/25/96/532852596.db2.gz WUJVZOJGRMZJCY-CYBMUJFWSA-N 1 0 389.237 2.181 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415661171 532852604 /nfs/dbraw/zinc/85/26/04/532852604.db2.gz XFWIOTFHYQBZIC-SFYZADRCSA-N 1 0 376.201 2.052 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415674030 532853057 /nfs/dbraw/zinc/85/30/57/532853057.db2.gz DGYAQWMWYBCUKX-GFCCVEGCSA-N 1 0 398.301 2.292 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332369662 532853081 /nfs/dbraw/zinc/85/30/81/532853081.db2.gz YRLRBBLWXVMRMN-VHSXEESVSA-N 1 0 386.677 2.109 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000415671148 532853082 /nfs/dbraw/zinc/85/30/82/532853082.db2.gz FUQNGDMSVHKALE-CYBMUJFWSA-N 1 0 386.265 2.421 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000415671149 532853209 /nfs/dbraw/zinc/85/32/09/532853209.db2.gz FUQNGDMSVHKALE-ZDUSSCGKSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415666593 532853293 /nfs/dbraw/zinc/85/32/93/532853293.db2.gz FFIHRHRTLYCWEE-CPCISQLKSA-N 1 0 392.656 2.437 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[NH2+]1 ZINC000415667884 532853312 /nfs/dbraw/zinc/85/33/12/532853312.db2.gz YUIVMPXOADCMFF-QWRGUYRKSA-N 1 0 391.269 2.193 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000289362158 532853437 /nfs/dbraw/zinc/85/34/37/532853437.db2.gz ZIXBRYLJOMFIOZ-GJZGRUSLSA-N 1 0 396.329 2.031 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415667681 532853221 /nfs/dbraw/zinc/85/32/21/532853221.db2.gz YLJKETHEIZWQQM-SCZZXKLOSA-N 1 0 379.766 2.291 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415700258 532853947 /nfs/dbraw/zinc/85/39/47/532853947.db2.gz BXLPOXGRSISQKO-SECBINFHSA-N 1 0 375.376 2.963 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415701857 532854097 /nfs/dbraw/zinc/85/40/97/532854097.db2.gz CIDQSLIFGFDPFQ-SECBINFHSA-N 1 0 379.661 2.267 20 0 GEADRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCC[NH2+]1 ZINC000415711206 532854440 /nfs/dbraw/zinc/85/44/40/532854440.db2.gz SKICGYKATOINHF-HNNXBMFYSA-N 1 0 394.686 2.470 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)cc1Br ZINC000415708011 532854216 /nfs/dbraw/zinc/85/42/16/532854216.db2.gz NHBNZQDZSDSTSD-YGRLFVJLSA-N 1 0 382.258 2.370 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000332383063 532854312 /nfs/dbraw/zinc/85/43/12/532854312.db2.gz VOZARTJPZDETGR-LNSITVRQSA-N 1 0 380.286 2.282 20 0 GEADRO COC[C@@]1(CNC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)CCC[NH2+]1 ZINC000415714837 532854380 /nfs/dbraw/zinc/85/43/80/532854380.db2.gz YLLFWIUDXFGVEU-INIZCTEOSA-N 1 0 375.803 2.101 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000415730259 532855054 /nfs/dbraw/zinc/85/50/54/532855054.db2.gz VGVBLBSHKORQTA-JOCQHMNTSA-N 1 0 394.313 2.220 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000415740117 532855108 /nfs/dbraw/zinc/85/51/08/532855108.db2.gz IDJVDEPIJMBZGJ-DZGCQCFKSA-N 1 0 380.286 2.200 20 0 GEADRO CN1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC1=O ZINC000274699998 532854736 /nfs/dbraw/zinc/85/47/36/532854736.db2.gz XSPYUIJZEWBZMY-VIFPVBQESA-N 1 0 377.080 2.114 20 0 GEADRO O=C(NCCC[NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CCC1 ZINC000289429235 532854770 /nfs/dbraw/zinc/85/47/70/532854770.db2.gz DLIGIIVJDRFCAB-UHFFFAOYSA-N 1 0 392.301 2.426 20 0 GEADRO C[C@H]1CN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000332453308 532855517 /nfs/dbraw/zinc/85/55/17/532855517.db2.gz MVOMQEPULTXLKP-GXFFZTMASA-N 1 0 384.274 2.099 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cccc(Cl)c1OCC(F)F ZINC000415748682 532855605 /nfs/dbraw/zinc/85/56/05/532855605.db2.gz QYQWNCSGMBSKQQ-UHFFFAOYSA-N 1 0 376.835 2.401 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415755617 532855867 /nfs/dbraw/zinc/85/58/67/532855867.db2.gz KAWMBYWLUROWSL-CYBMUJFWSA-N 1 0 378.274 2.897 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2s1 ZINC000415750143 532855918 /nfs/dbraw/zinc/85/59/18/532855918.db2.gz SUGIDRDUKNZGPQ-GHMZBOCLSA-N 1 0 378.885 2.265 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415761694 532856054 /nfs/dbraw/zinc/85/60/54/532856054.db2.gz UNTRIEQTFIRABJ-SMDDNHRTSA-N 1 0 378.274 2.754 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000415753998 532856093 /nfs/dbraw/zinc/85/60/93/532856093.db2.gz DSAOWOLFKRUOBL-UHFFFAOYSA-N 1 0 386.290 2.338 20 0 GEADRO CC[NH+]1CCC(NC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000332510105 532856549 /nfs/dbraw/zinc/85/65/49/532856549.db2.gz UMEOPALLUZQMOY-UHFFFAOYSA-N 1 0 383.286 2.363 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415767670 532856504 /nfs/dbraw/zinc/85/65/04/532856504.db2.gz UKALWZBKBXKFFN-CYBMUJFWSA-N 1 0 380.286 2.236 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000332511229 532856868 /nfs/dbraw/zinc/85/68/68/532856868.db2.gz KATXRFPBEQMCOU-UHFFFAOYSA-N 1 0 394.313 2.105 20 0 GEADRO COCCC(=O)N1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289502511 532856716 /nfs/dbraw/zinc/85/67/16/532856716.db2.gz MEBYIJKRARJCOK-UHFFFAOYSA-N 1 0 395.301 2.214 20 0 GEADRO COc1cc(I)ccc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415777604 532856732 /nfs/dbraw/zinc/85/67/32/532856732.db2.gz ZPEXHOQDLOSFRU-SNVBAGLBSA-N 1 0 375.210 2.173 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332591826 532857298 /nfs/dbraw/zinc/85/72/98/532857298.db2.gz MBOVZVDUHRZCCV-UWVGGRQHSA-N 1 0 386.677 2.109 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)C(F)F ZINC000415787833 532857439 /nfs/dbraw/zinc/85/74/39/532857439.db2.gz LLSNJHOUKXBYKT-VIFPVBQESA-N 1 0 384.608 2.140 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000415792687 532857816 /nfs/dbraw/zinc/85/78/16/532857816.db2.gz SDBJJLIXBMQHJO-FOCQTFQBSA-N 1 0 384.249 2.159 20 0 GEADRO O=S(=O)(CC[NH2+][C@H](CO)C1CCCC1)c1cccc(Br)c1 ZINC000289540820 532857847 /nfs/dbraw/zinc/85/78/47/532857847.db2.gz NPNZOOWUTBWRSH-OAHLLOKOSA-N 1 0 376.316 2.364 20 0 GEADRO CC1(C)CC(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC(C)(C)[NH2+]1 ZINC000071962458 211066066 /nfs/dbraw/zinc/06/60/66/211066066.db2.gz MMPFIFGXUXSYCF-UHFFFAOYSA-N 1 0 388.555 2.215 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)C(F)F ZINC000415797284 532857923 /nfs/dbraw/zinc/85/79/23/532857923.db2.gz ZWJVDGNSWOUENL-QMMMGPOBSA-N 1 0 385.358 2.220 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415801664 532857952 /nfs/dbraw/zinc/85/79/52/532857952.db2.gz FLOZZXIRSRAVQV-PWSUYJOCSA-N 1 0 384.274 2.030 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415806157 532858253 /nfs/dbraw/zinc/85/82/53/532858253.db2.gz OMJPRONGBQQXKT-LLVKDONJSA-N 1 0 386.265 2.484 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415804268 532858357 /nfs/dbraw/zinc/85/83/57/532858357.db2.gz LDSDOGZRFAMDMP-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415826367 532858723 /nfs/dbraw/zinc/85/87/23/532858723.db2.gz BGIMETHRYLOYGI-SFYZADRCSA-N 1 0 392.656 2.424 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[NH2+]1 ZINC000415821694 532858727 /nfs/dbraw/zinc/85/87/27/532858727.db2.gz HWHWUVWCZSUPQM-UHFFFAOYSA-N 1 0 392.656 2.391 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c(Br)c1 ZINC000415820539 532858741 /nfs/dbraw/zinc/85/87/41/532858741.db2.gz BSEROBLCMMNNOA-CQSZACIVSA-N 1 0 384.274 2.030 20 0 GEADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)CC1 ZINC000332623309 532858527 /nfs/dbraw/zinc/85/85/27/532858527.db2.gz ICSNLKANGABKHC-UHFFFAOYSA-N 1 0 385.921 2.234 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC000332614616 532858645 /nfs/dbraw/zinc/85/86/45/532858645.db2.gz PPRLJSVHQCSEFX-LLVKDONJSA-N 1 0 384.307 2.464 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000332642939 532859015 /nfs/dbraw/zinc/85/90/15/532859015.db2.gz JKWZASWPRXZDBC-RDBSUJKOSA-N 1 0 394.313 2.401 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(Br)c1 ZINC000332643714 532859113 /nfs/dbraw/zinc/85/91/13/532859113.db2.gz ZEHPELFCBFDIND-NEPJUHHUSA-N 1 0 396.285 2.091 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415836151 532859658 /nfs/dbraw/zinc/85/96/58/532859658.db2.gz JUUNGDZFHRFJIC-AWEZNQCLSA-N 1 0 398.301 2.420 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415838453 532859697 /nfs/dbraw/zinc/85/96/97/532859697.db2.gz NSVIYUXHPKDIEE-JTQLQIEISA-N 1 0 382.180 2.092 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415839729 532859706 /nfs/dbraw/zinc/85/97/06/532859706.db2.gz ORYPQMDWUWEJIR-JTQLQIEISA-N 1 0 396.207 2.400 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C[C@@H]1C[NH3+] ZINC000415837856 532859755 /nfs/dbraw/zinc/85/97/55/532859755.db2.gz CVNJPYRCTWUBFV-UWVGGRQHSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415840854 532859789 /nfs/dbraw/zinc/85/97/89/532859789.db2.gz QBBCPPCIJRTGJN-GHMZBOCLSA-N 1 0 391.269 2.179 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C(F)(F)F ZINC000415839706 532859912 /nfs/dbraw/zinc/85/99/12/532859912.db2.gz OPVAQMBVAAREMZ-QMMMGPOBSA-N 1 0 376.137 2.467 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C[C@H]1C[NH3+] ZINC000415837854 532859935 /nfs/dbraw/zinc/85/99/35/532859935.db2.gz CVNJPYRCTWUBFV-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415843824 532860195 /nfs/dbraw/zinc/86/01/95/532860195.db2.gz SVMXTCWIDUDFJU-MFKMUULPSA-N 1 0 380.286 2.120 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000332682827 532860251 /nfs/dbraw/zinc/86/02/51/532860251.db2.gz PJYBLICLROWKDP-IPYPFGDCSA-N 1 0 394.313 2.401 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C[C@@]1(C)C[NH3+] ZINC000415846138 532860317 /nfs/dbraw/zinc/86/03/17/532860317.db2.gz XPGBSUKCPIUXRY-JDNHERCYSA-N 1 0 375.803 2.323 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415850920 532860567 /nfs/dbraw/zinc/86/05/67/532860567.db2.gz XZXPHBHAYVPUIO-AWEZNQCLSA-N 1 0 398.301 2.420 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1c(F)cccc1F ZINC000289604904 532860599 /nfs/dbraw/zinc/86/05/99/532860599.db2.gz QOXMTWNSNUVYQZ-UHFFFAOYSA-N 1 0 376.469 2.227 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415845891 532860408 /nfs/dbraw/zinc/86/04/08/532860408.db2.gz VNJQAHPXHXJRLN-CMPLNLGQSA-N 1 0 384.274 2.030 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415864642 532861228 /nfs/dbraw/zinc/86/12/28/532861228.db2.gz AFHVYGCMTKKBCQ-NXEZZACHSA-N 1 0 375.778 2.365 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C[C@@]1(C)C[NH3+] ZINC000415866179 532861159 /nfs/dbraw/zinc/86/11/59/532861159.db2.gz OCJZVJVZOZVMAN-ADLMAVQZSA-N 1 0 394.313 2.320 20 0 GEADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415866741 532861208 /nfs/dbraw/zinc/86/12/08/532861208.db2.gz VWOQITVBJJYNAB-GFCCVEGCSA-N 1 0 385.917 2.355 20 0 GEADRO O=C(Nc1cccc2c(Br)ccnc12)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415872641 532861499 /nfs/dbraw/zinc/86/14/99/532861499.db2.gz SQYFFFIFHAQQOT-LLVKDONJSA-N 1 0 391.269 2.194 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000289644535 532861801 /nfs/dbraw/zinc/86/18/01/532861801.db2.gz HGNCWWIYPZFNAX-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1Br ZINC000289634998 532861842 /nfs/dbraw/zinc/86/18/42/532861842.db2.gz MEFWMNHYUNUTKO-PXAZEXFGSA-N 1 0 396.285 2.410 20 0 GEADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415891318 532861866 /nfs/dbraw/zinc/86/18/66/532861866.db2.gz JVDNUHLBECCKNY-NXEZZACHSA-N 1 0 375.778 2.365 20 0 GEADRO CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H](CO)c1cccc(Br)c1 ZINC000416003228 532862334 /nfs/dbraw/zinc/86/23/34/532862334.db2.gz GKKGKKCELYZHGD-VXGBXAGGSA-N 1 0 398.223 2.404 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)cc2s1 ZINC000415901142 532862164 /nfs/dbraw/zinc/86/21/64/532862164.db2.gz WUQBTXNPQICXMN-MNOVXSKESA-N 1 0 378.885 2.265 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415968247 532862739 /nfs/dbraw/zinc/86/27/39/532862739.db2.gz DWRCUQNWTAPKNI-UHFFFAOYSA-N 1 0 394.273 2.339 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000416161063 532865424 /nfs/dbraw/zinc/86/54/24/532865424.db2.gz QFUFUFNCRYKUES-GFCCVEGCSA-N 1 0 391.331 2.069 20 0 GEADRO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@@H](C)S(C)(=O)=O ZINC000416166561 532865942 /nfs/dbraw/zinc/86/59/42/532865942.db2.gz MSIOZCRLSHTCPY-NWDGAFQWSA-N 1 0 376.906 2.288 20 0 GEADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333299074 532866444 /nfs/dbraw/zinc/86/64/44/532866444.db2.gz KEBDUQQAMCYPLT-UWVGGRQHSA-N 1 0 381.864 3.071 20 0 GEADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333317044 532866878 /nfs/dbraw/zinc/86/68/78/532866878.db2.gz OSZGIONIAJKJNR-BLLLJJGKSA-N 1 0 375.270 2.459 20 0 GEADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333339749 532866884 /nfs/dbraw/zinc/86/68/84/532866884.db2.gz PNHIATPFEGOEPS-UWVGGRQHSA-N 1 0 381.864 3.071 20 0 GEADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000275187719 532867815 /nfs/dbraw/zinc/86/78/15/532867815.db2.gz CIMSPFKXVDKESP-UHOFOFEASA-N 1 0 385.555 2.315 20 0 GEADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000275186436 532867970 /nfs/dbraw/zinc/86/79/70/532867970.db2.gz CCSOBBFJPHUXMU-DAXOMENPSA-N 1 0 385.555 2.315 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)C[C@@H]12 ZINC000333398982 532868110 /nfs/dbraw/zinc/86/81/10/532868110.db2.gz YLNSIKCSIYOCRA-KCPJHIHWSA-N 1 0 390.285 2.836 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cnc4ccsc4c3)CC2)C1 ZINC000333473833 532868781 /nfs/dbraw/zinc/86/87/81/532868781.db2.gz BDVGEWHNRLZYLA-XJKSGUPXSA-N 1 0 381.523 2.203 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC(c2ccccc2Br)CC1 ZINC000333467096 532868916 /nfs/dbraw/zinc/86/89/16/532868916.db2.gz CYWKCNVDWRBMPP-AWEZNQCLSA-N 1 0 382.302 2.327 20 0 GEADRO C[C@@H]1C[C@@H](S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000333472792 532869142 /nfs/dbraw/zinc/86/91/42/532869142.db2.gz WLGFSZCIBKWQLC-CVEARBPZSA-N 1 0 376.588 2.225 20 0 GEADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)CC1 ZINC000333508137 532870051 /nfs/dbraw/zinc/87/00/51/532870051.db2.gz WSYXMWVBGJPPJC-UHFFFAOYSA-N 1 0 385.921 2.186 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C(C)(C)n1cncn1 ZINC000289996923 532870185 /nfs/dbraw/zinc/87/01/85/532870185.db2.gz YRLHYBXJDLORHJ-LBPRGKRZSA-N 1 0 380.290 2.184 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000416305585 532870217 /nfs/dbraw/zinc/87/02/17/532870217.db2.gz XROKKZPBWXSNDP-AWEZNQCLSA-N 1 0 380.286 2.012 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NCC3([NH+](C)C)CC3)CC2=O)ccc1Br ZINC000416302766 532870387 /nfs/dbraw/zinc/87/03/87/532870387.db2.gz POXPDADOQNFLAU-CYBMUJFWSA-N 1 0 394.313 2.321 20 0 GEADRO O=C(c1cc(Cl)sc1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333522842 532870720 /nfs/dbraw/zinc/87/07/20/532870720.db2.gz OFZHNDXTADTKHR-SNVBAGLBSA-N 1 0 376.309 2.481 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000333660459 532871318 /nfs/dbraw/zinc/87/13/18/532871318.db2.gz LMNYITIJJIPRFU-ZBFHGGJFSA-N 1 0 376.881 2.386 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCc1cccc(F)c1Br ZINC000416316842 532870904 /nfs/dbraw/zinc/87/09/04/532870904.db2.gz WEZGAWGRGRUAMF-CHWSQXEVSA-N 1 0 387.293 2.434 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333656188 532871723 /nfs/dbraw/zinc/87/17/23/532871723.db2.gz ZWIQYXIKFUIUGD-UONOGXRCSA-N 1 0 378.274 2.450 20 0 GEADRO O=C(c1ccc(F)c(Br)c1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333727197 532872426 /nfs/dbraw/zinc/87/24/26/532872426.db2.gz JERORLLSRPHJTE-ZDUSSCGKSA-N 1 0 398.276 2.015 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(Cl)ccc3F)CC2)C1 ZINC000333729754 532872569 /nfs/dbraw/zinc/87/25/69/532872569.db2.gz VXWCGUJHCXUMAD-HIFRSBDPSA-N 1 0 376.881 2.386 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)nc12 ZINC000333727563 532872631 /nfs/dbraw/zinc/87/26/31/532872631.db2.gz HGXDMDCPXKDGHJ-QWHCGFSZSA-N 1 0 392.301 2.156 20 0 GEADRO O=C(NC[C@H]1CC[NH2+]C1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000333733583 532872963 /nfs/dbraw/zinc/87/29/63/532872963.db2.gz WMYZJYABIXZMOO-LBPRGKRZSA-N 1 0 385.295 2.070 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C(F)F ZINC000416379081 532873347 /nfs/dbraw/zinc/87/33/47/532873347.db2.gz ZNLQKQMDOWHRJO-RYUDHWBXSA-N 1 0 378.489 2.312 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000416383926 532873888 /nfs/dbraw/zinc/87/38/88/532873888.db2.gz MRHHXYFDAJNAEY-UHFFFAOYSA-N 1 0 387.933 2.018 20 0 GEADRO Cc1cccc(Cl)c1S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000416382871 532873972 /nfs/dbraw/zinc/87/39/72/532873972.db2.gz FLUSNUXFYAMATG-INIZCTEOSA-N 1 0 385.961 2.439 20 0 GEADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000333845490 532874018 /nfs/dbraw/zinc/87/40/18/532874018.db2.gz MCSIDBIYPZWDLE-CYBMUJFWSA-N 1 0 377.963 2.098 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416385824 532874678 /nfs/dbraw/zinc/87/46/78/532874678.db2.gz HHGNHODHEDCVTN-CQSZACIVSA-N 1 0 387.933 2.161 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000416387041 532874687 /nfs/dbraw/zinc/87/46/87/532874687.db2.gz LMDKTYBPLSWNEO-UHFFFAOYSA-N 1 0 378.922 2.328 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000416407408 532876556 /nfs/dbraw/zinc/87/65/56/532876556.db2.gz KBTKRAFRYGXQFQ-BXUZGUMPSA-N 1 0 387.933 2.111 20 0 GEADRO O=C(C[N@@H+](CCO)C1CCOCC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000275445495 532876597 /nfs/dbraw/zinc/87/65/97/532876597.db2.gz AMYBCEVYKTVUSV-UHFFFAOYSA-N 1 0 378.803 2.353 20 0 GEADRO [NH3+]C1(CNC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CCC1 ZINC000417263516 532879277 /nfs/dbraw/zinc/87/92/77/532879277.db2.gz QBYQHGZVJZNJBD-CYBMUJFWSA-N 1 0 381.318 2.456 20 0 GEADRO COc1cc(Br)c(CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1OC ZINC000417444039 532879857 /nfs/dbraw/zinc/87/98/57/532879857.db2.gz BTGBIGIDMUFWNP-GFCCVEGCSA-N 1 0 386.290 2.408 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000418930738 532881586 /nfs/dbraw/zinc/88/15/86/532881586.db2.gz GCMUMLFBHGVEGV-INIZCTEOSA-N 1 0 394.313 2.356 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000419568977 532882142 /nfs/dbraw/zinc/88/21/42/532882142.db2.gz LUFQXUHYYVCYNT-IZBNFRDHSA-N 1 0 384.307 2.236 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419873482 532883041 /nfs/dbraw/zinc/88/30/41/532883041.db2.gz MWNRCDDIGZCYCN-UHFFFAOYSA-N 1 0 382.302 2.184 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]C1 ZINC000419878317 532883160 /nfs/dbraw/zinc/88/31/60/532883160.db2.gz GDSFFWPXELNLTP-VXGBXAGGSA-N 1 0 384.307 2.382 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)C1CC1 ZINC000419879169 532883173 /nfs/dbraw/zinc/88/31/73/532883173.db2.gz ZJRIJCWYBVMGOP-INIZCTEOSA-N 1 0 381.929 2.277 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1I ZINC000420452040 532883781 /nfs/dbraw/zinc/88/37/81/532883781.db2.gz RXSUUEUMGJFXGP-LLVKDONJSA-N 1 0 394.278 2.020 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417583391 532880511 /nfs/dbraw/zinc/88/05/11/532880511.db2.gz KGJKOEAGKOOUSX-CYBMUJFWSA-N 1 0 399.333 2.095 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000418413728 532880591 /nfs/dbraw/zinc/88/05/91/532880591.db2.gz ZBXRSJCKMZMBBE-CQSZACIVSA-N 1 0 385.295 2.198 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000418432006 532880775 /nfs/dbraw/zinc/88/07/75/532880775.db2.gz YGSFPHJEIUYEAX-CABCVRRESA-N 1 0 397.317 2.005 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418423206 532880842 /nfs/dbraw/zinc/88/08/42/532880842.db2.gz DTXOVIMTMFSTIQ-CQSZACIVSA-N 1 0 397.317 2.149 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000418423205 532880902 /nfs/dbraw/zinc/88/09/02/532880902.db2.gz DTXOVIMTMFSTIQ-AWEZNQCLSA-N 1 0 397.317 2.149 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418457345 532881008 /nfs/dbraw/zinc/88/10/08/532881008.db2.gz DNMAZFVNIGIADB-ZBFHGGJFSA-N 1 0 386.334 2.417 20 0 GEADRO COc1cc(Br)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1O ZINC000290456239 532881272 /nfs/dbraw/zinc/88/12/72/532881272.db2.gz MRKBYUAZZFNIQE-SNVBAGLBSA-N 1 0 378.288 2.078 20 0 GEADRO Cc1[nH]c(=S)sc1CC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000290650064 532885964 /nfs/dbraw/zinc/88/59/64/532885964.db2.gz NLTFZFCUJZHPCV-UHFFFAOYSA-N 1 0 380.539 2.325 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420732270 532886073 /nfs/dbraw/zinc/88/60/73/532886073.db2.gz GPNXUTOVEXQMIK-HIFRSBDPSA-N 1 0 390.933 2.468 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1nccs1 ZINC000420849624 532886408 /nfs/dbraw/zinc/88/64/08/532886408.db2.gz OFSGIPSAHXGBAS-STQMWFEESA-N 1 0 378.523 2.335 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@@H]1CCSC1 ZINC000275845484 532884009 /nfs/dbraw/zinc/88/40/09/532884009.db2.gz KBPWJZJTOJGXPP-CYBMUJFWSA-N 1 0 385.917 2.183 20 0 GEADRO C[C@@H]1C[C@H](CO)C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000420949022 532887824 /nfs/dbraw/zinc/88/78/24/532887824.db2.gz VFXKPDXIAHCUQD-XUJVJEKNSA-N 1 0 376.266 2.278 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(Br)n1 ZINC000275859923 532884721 /nfs/dbraw/zinc/88/47/21/532884721.db2.gz MAWQPYWOBZTDSE-LBPRGKRZSA-N 1 0 397.317 2.280 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCc2c1cccc2Br ZINC000421169957 532889550 /nfs/dbraw/zinc/88/95/50/532889550.db2.gz DVJZLIXOEUZBMA-CHWSQXEVSA-N 1 0 392.297 2.081 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421172375 532889231 /nfs/dbraw/zinc/88/92/31/532889231.db2.gz KYIUPHNZANNWOT-UHFFFAOYSA-N 1 0 382.302 2.186 20 0 GEADRO COCCOCCOCC[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000276121034 532889287 /nfs/dbraw/zinc/88/92/87/532889287.db2.gz BJIFVESKMZPEOV-INIZCTEOSA-N 1 0 394.281 2.233 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc3c(c2)SCC(=O)N3)C[C@H]1[NH+]1CCCC1 ZINC000290853244 532891123 /nfs/dbraw/zinc/89/11/23/532891123.db2.gz ZEPKRAVKEKPWQC-ZBFHGGJFSA-N 1 0 377.535 2.383 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1O ZINC000361054092 532891719 /nfs/dbraw/zinc/89/17/19/532891719.db2.gz SZLVMDHJSWXIPH-HUUCEWRRSA-N 1 0 385.302 2.194 20 0 GEADRO COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000361030847 532891753 /nfs/dbraw/zinc/89/17/53/532891753.db2.gz DDCKJLXGGKVSHH-YVEFUNNKSA-N 1 0 396.285 2.268 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)c3cn(CCCC[NH3+])nn3)n2)s1 ZINC000423026848 532893075 /nfs/dbraw/zinc/89/30/75/532893075.db2.gz CHVBSZBTZGZVQK-UHFFFAOYSA-N 1 0 377.499 2.466 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000423081506 532893458 /nfs/dbraw/zinc/89/34/58/532893458.db2.gz UZTHXQGHRKVOQT-OAHLLOKOSA-N 1 0 394.313 2.151 20 0 GEADRO OCC1(C[NH2+]Cc2c(Br)cncc2Br)CCOCC1 ZINC000290967902 532893559 /nfs/dbraw/zinc/89/35/59/532893559.db2.gz XAKITEBTOYKJFB-UHFFFAOYSA-N 1 0 394.107 2.485 20 0 GEADRO Cc1cc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)ccc1I ZINC000423098270 532894075 /nfs/dbraw/zinc/89/40/75/532894075.db2.gz RXSCYJREZFFDAO-HZPDHXFCSA-N 1 0 386.277 2.456 20 0 GEADRO Cc1sc2ncnc(SCCC(=O)N3CCCO[C@@H](C[NH3+])C3)c2c1C ZINC000424015725 532894549 /nfs/dbraw/zinc/89/45/49/532894549.db2.gz 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C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C[C@H]1C[NH3+] ZINC000424029232 532894809 /nfs/dbraw/zinc/89/48/09/532894809.db2.gz ZCJLNFVBNRZDDO-HZSPNIEDSA-N 1 0 394.313 2.245 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000423043597 532892905 /nfs/dbraw/zinc/89/29/05/532892905.db2.gz PFMPIBXUZGJVHC-BLLLJJGKSA-N 1 0 375.519 2.104 20 0 GEADRO COc1ncc(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1Br ZINC000424656564 532896787 /nfs/dbraw/zinc/89/67/87/532896787.db2.gz CSEHNURGQFEUKA-LBPRGKRZSA-N 1 0 398.301 2.178 20 0 GEADRO C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)CC1(O)CCOCC1 ZINC000276531413 532897401 /nfs/dbraw/zinc/89/74/01/532897401.db2.gz WIMLJFCDJFUISH-UHFFFAOYSA-N 1 0 399.329 2.259 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000363556963 532899295 /nfs/dbraw/zinc/89/92/95/532899295.db2.gz GUGCLXCLUZAJQI-LBPRGKRZSA-N 1 0 382.302 2.306 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000291334421 532900089 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CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(s2)CCS(=O)(=O)C3)C1 ZINC000366578801 532919018 /nfs/dbraw/zinc/91/90/18/532919018.db2.gz CXYNOVLIZABZBZ-CQSZACIVSA-N 1 0 384.567 2.317 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000366941336 532922083 /nfs/dbraw/zinc/92/20/83/532922083.db2.gz QBIISAYSYJNFAK-HNNXBMFYSA-N 1 0 386.901 2.279 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000366936059 532922095 /nfs/dbraw/zinc/92/20/95/532922095.db2.gz LZGSRFSYFQHYEF-UHFFFAOYSA-N 1 0 377.279 2.352 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000366946138 532922125 /nfs/dbraw/zinc/92/21/25/532922125.db2.gz PQLMOBRGRDCTEU-UWVGGRQHSA-N 1 0 390.242 2.050 20 0 GEADRO COc1ccsc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000366935744 532922143 /nfs/dbraw/zinc/92/21/43/532922143.db2.gz KCGPQGPHSMLIKK-GJZGRUSLSA-N 1 0 382.507 2.189 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000366941883 532922156 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COc1ccccc1CC[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737149350 598247889 /nfs/dbraw/zinc/24/78/89/598247889.db2.gz GRKJRRSZVVXECA-UHFFFAOYSA-N 1 0 380.452 2.378 20 0 GEADRO Cc1ccccc1[C@@H]1CC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737424795 598255062 /nfs/dbraw/zinc/25/50/62/598255062.db2.gz XOUBDDVITJKNOT-GOSISDBHSA-N 1 0 376.464 2.281 20 0 GEADRO C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736259708 598257186 /nfs/dbraw/zinc/25/71/86/598257186.db2.gz GDVVGASSFMVTKG-QAPCUYQASA-N 1 0 383.500 2.273 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735635263 598257374 /nfs/dbraw/zinc/25/73/74/598257374.db2.gz AHDLRWWAZZRCHI-AWEZNQCLSA-N 1 0 388.472 2.092 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccsc1 ZINC000736758385 598318034 /nfs/dbraw/zinc/31/80/34/598318034.db2.gz GUTINBWCLLOBIO-HNNXBMFYSA-N 1 0 389.460 2.169 20 0 GEADRO C[C@@H]1CCC[C@@H]([N@H+](C)CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 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UYMXJVVMBRMIOV-KRWDZBQOSA-N 1 0 380.456 2.037 20 0 GEADRO Cc1csc(N2CC[N@@H+](CCOc3ccccc3-c3nn[nH]n3)C[C@H]2C)n1 ZINC000737451930 598364937 /nfs/dbraw/zinc/36/49/37/598364937.db2.gz HCWJMJVSNXJKGH-CQSZACIVSA-N 1 0 385.497 2.221 20 0 GEADRO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737473778 598368092 /nfs/dbraw/zinc/36/80/92/598368092.db2.gz GRFHKRFXLDHVKY-KRWDZBQOSA-N 1 0 396.499 2.256 20 0 GEADRO Cc1cnn(CC2CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737446527 598368118 /nfs/dbraw/zinc/36/81/18/598368118.db2.gz YVCLEZYIKVAIHW-UHFFFAOYSA-N 1 0 394.483 2.112 20 0 GEADRO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737508444 598368698 /nfs/dbraw/zinc/36/86/98/598368698.db2.gz BPPFYULNMAFGRV-QGZVFWFLSA-N 1 0 394.483 2.383 20 0 GEADRO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737511460 598368961 /nfs/dbraw/zinc/36/89/61/598368961.db2.gz RWXNQGCGZYTDKA-QGZVFWFLSA-N 1 0 394.483 2.383 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000735561229 598373975 /nfs/dbraw/zinc/37/39/75/598373975.db2.gz JRUMOAZHGLRNQV-GOEBONIOSA-N 1 0 377.452 2.380 20 0 GEADRO C[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1)[NH+](C)C ZINC000736025946 598399492 /nfs/dbraw/zinc/39/94/92/598399492.db2.gz JSNNCIRXYIOOJE-GFCCVEGCSA-N 1 0 384.415 2.478 20 0 GEADRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736141867 598404180 /nfs/dbraw/zinc/40/41/80/598404180.db2.gz KIWSITPHSRPXSF-XHDPSFHLSA-N 1 0 378.864 2.084 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000738383861 598418808 /nfs/dbraw/zinc/41/88/08/598418808.db2.gz CIQYTEPODAFJIK-HZPDHXFCSA-N 1 0 383.427 2.235 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000735551377 598423312 /nfs/dbraw/zinc/42/33/12/598423312.db2.gz QYRMQUAIXWZYDV-JSGCOSHPSA-N 1 0 389.891 2.017 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000735875597 598428945 /nfs/dbraw/zinc/42/89/45/598428945.db2.gz WOCNDUPYNTYQHL-MSOLQXFVSA-N 1 0 383.500 2.414 20 0 GEADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736531578 598440901 /nfs/dbraw/zinc/44/09/01/598440901.db2.gz ZIWKOFNPXUXIIV-UHFFFAOYSA-N 1 0 381.440 2.235 20 0 GEADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738160882 598450660 /nfs/dbraw/zinc/45/06/60/598450660.db2.gz UWPXNEZDWPXWSF-UHFFFAOYSA-N 1 0 395.492 2.105 20 0 GEADRO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000737556720 598462679 /nfs/dbraw/zinc/46/26/79/598462679.db2.gz NLAHWZWTPXNTPP-UHFFFAOYSA-N 1 0 384.415 2.302 20 0 GEADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@H]1CCCOC1 ZINC000736792763 598469650 /nfs/dbraw/zinc/46/96/50/598469650.db2.gz NTVGBTVSPXORDH-GFCCVEGCSA-N 1 0 390.513 2.104 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736250757 598471321 /nfs/dbraw/zinc/47/13/21/598471321.db2.gz MDPDIACUAMBCOL-TXEJJXNPSA-N 1 0 398.920 2.061 20 0 GEADRO c1cnn(CCCCC[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000738450369 598510490 /nfs/dbraw/zinc/51/04/90/598510490.db2.gz ZYNNMIICUYZSIX-UHFFFAOYSA-N 1 0 380.500 2.051 20 0 GEADRO COc1ccc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(C)C)cc1 ZINC000737076937 598518910 /nfs/dbraw/zinc/51/89/10/598518910.db2.gz ULOMSNIIBDHPRT-CXAGYDPISA-N 1 0 382.472 2.100 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(OC(F)F)cc1 ZINC000736136427 598520097 /nfs/dbraw/zinc/52/00/97/598520097.db2.gz RUCDXWHQLBGZLF-QWRGUYRKSA-N 1 0 390.398 2.057 20 0 GEADRO O=C(CCN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737842922 598525134 /nfs/dbraw/zinc/52/51/34/598525134.db2.gz FKQDQYVMLKBSNM-GOSISDBHSA-N 1 0 383.500 2.146 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)C2 ZINC000738428216 598530137 /nfs/dbraw/zinc/53/01/37/598530137.db2.gz MORMGBAZCLLEIW-AOIWGVFYSA-N 1 0 392.511 2.496 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000736847560 598549747 /nfs/dbraw/zinc/54/97/47/598549747.db2.gz HLSRJDYPZAPFNA-UHFFFAOYSA-N 1 0 396.451 2.110 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736321659 598555569 /nfs/dbraw/zinc/55/55/69/598555569.db2.gz FRACSIQJRDRPFI-AWEZNQCLSA-N 1 0 398.467 2.499 20 0 GEADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736763529 598569789 /nfs/dbraw/zinc/56/97/89/598569789.db2.gz LYVHAIYGMWEPHS-SFHVURJKSA-N 1 0 376.464 2.319 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736265645 598595915 /nfs/dbraw/zinc/59/59/15/598595915.db2.gz KPUFLFHIEZFICJ-MDZRGWNJSA-N 1 0 397.527 2.072 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C)CC1 ZINC000736276549 598596542 /nfs/dbraw/zinc/59/65/42/598596542.db2.gz IPIXVLRMUOIDQZ-VQIMIIECSA-N 1 0 397.527 2.072 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736473423 598597270 /nfs/dbraw/zinc/59/72/70/598597270.db2.gz OILABDMJSIAAGB-LJQANCHMSA-N 1 0 399.543 2.464 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000736757913 598600735 /nfs/dbraw/zinc/60/07/35/598600735.db2.gz ZIEZPBZBJWKNNY-KRWDZBQOSA-N 1 0 392.463 2.222 20 0 GEADRO C[NH+](C)[C@@H]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000736761355 598601787 /nfs/dbraw/zinc/60/17/87/598601787.db2.gz DPXXWLIIXJVNIS-SNVBAGLBSA-N 1 0 375.383 2.157 20 0 GEADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000738165912 598625498 /nfs/dbraw/zinc/62/54/98/598625498.db2.gz GRNDXCLTXGFMHZ-HNNXBMFYSA-N 1 0 381.415 2.402 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736226099 598633821 /nfs/dbraw/zinc/63/38/21/598633821.db2.gz VFCMBFDQZMFKCM-JHJVBQTASA-N 1 0 375.452 2.494 20 0 GEADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000737948218 598659336 /nfs/dbraw/zinc/65/93/36/598659336.db2.gz QRHLGAJDWBXBFH-UHFFFAOYSA-N 1 0 378.421 2.178 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736757055 598668452 /nfs/dbraw/zinc/66/84/52/598668452.db2.gz NPILFSKCEOOKIT-INIZCTEOSA-N 1 0 378.436 2.435 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000736571450 598694407 /nfs/dbraw/zinc/69/44/07/598694407.db2.gz RNSZBLNGMZQYCS-YJBOKZPZSA-N 1 0 386.500 2.261 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000737189103 598697385 /nfs/dbraw/zinc/69/73/85/598697385.db2.gz IKJMKSVOIDBIQE-ZDUSSCGKSA-N 1 0 399.524 2.170 20 0 GEADRO CC(C)C[N@H+](CC(=O)NCc1cccnc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735827336 598701299 /nfs/dbraw/zinc/70/12/99/598701299.db2.gz KMKAETFCWHSCJB-UHFFFAOYSA-N 1 0 379.468 2.036 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736403061 598710554 /nfs/dbraw/zinc/71/05/54/598710554.db2.gz RLGORUAGNVGGHS-CQSZACIVSA-N 1 0 392.529 2.046 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735888751 598719667 /nfs/dbraw/zinc/71/96/67/598719667.db2.gz PMTOOSPHNNCLOF-QGZVFWFLSA-N 1 0 386.500 2.405 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736846729 598733227 /nfs/dbraw/zinc/73/32/27/598733227.db2.gz ATQQFBVYGLNQJP-UHFFFAOYSA-N 1 0 379.921 2.491 20 0 GEADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736479174 598752815 /nfs/dbraw/zinc/75/28/15/598752815.db2.gz CAKVIMAPIQSLGS-GOSISDBHSA-N 1 0 384.484 2.111 20 0 GEADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C)c(C)c3-c3nn[nH]n3)CC2)c1 ZINC000737126489 598757540 /nfs/dbraw/zinc/75/75/40/598757540.db2.gz MSTHNBZRABBJNJ-OAHLLOKOSA-N 1 0 394.483 2.165 20 0 GEADRO c1ccc(NC[C@@H]2CC[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000738436477 598763119 /nfs/dbraw/zinc/76/31/19/598763119.db2.gz RAZSUGGFRKMGAC-INIZCTEOSA-N 1 0 379.468 2.465 20 0 GEADRO CC(C)[N@@H+]1CCCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735881659 598763165 /nfs/dbraw/zinc/76/31/65/598763165.db2.gz KVVSYVDWYLIXIY-UHFFFAOYSA-N 1 0 391.907 2.265 20 0 GEADRO O=C(CC[N@H+]1CCc2ccc(O)cc2CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737845897 598764131 /nfs/dbraw/zinc/76/41/31/598764131.db2.gz AXADQQWLLXXHHU-UHFFFAOYSA-N 1 0 378.436 2.002 20 0 GEADRO C[C@H](C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736236016 598777565 /nfs/dbraw/zinc/77/75/65/598777565.db2.gz FMLCAOBDHMBXAG-OWCLPIDISA-N 1 0 398.511 2.498 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCc2ccccc21 ZINC000736767476 598790627 /nfs/dbraw/zinc/79/06/27/598790627.db2.gz QMAVRHNADWHDBN-HXUWFJFHSA-N 1 0 390.491 2.487 20 0 GEADRO C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736850128 598814145 /nfs/dbraw/zinc/81/41/45/598814145.db2.gz ZSPRMLDGNUULAX-MRXNPFEDSA-N 1 0 378.436 2.336 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cnc(C2CC2)s1 ZINC000736768264 598817651 /nfs/dbraw/zinc/81/76/51/598817651.db2.gz ZKGJXRYEXGGASG-UHFFFAOYSA-N 1 0 397.508 2.405 20 0 GEADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000736200580 599312340 /nfs/dbraw/zinc/31/23/40/599312340.db2.gz VGNOCRRSBZKYPG-CYBMUJFWSA-N 1 0 398.492 2.358 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736279147 599318254 /nfs/dbraw/zinc/31/82/54/599318254.db2.gz VUPUNZWDOYVRQK-CQSZACIVSA-N 1 0 396.451 2.253 20 0 GEADRO CC[C@H](C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+](CC)CC ZINC000736314673 599320160 /nfs/dbraw/zinc/32/01/60/599320160.db2.gz SXMPCWHTQPJYJC-QGZVFWFLSA-N 1 0 385.516 2.026 20 0 GEADRO O=C1C[C@@H]([N@@H+]2CCC3(C2)CCCCC3)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738301611 599334312 /nfs/dbraw/zinc/33/43/12/599334312.db2.gz PMJXGWLEYKTAGO-MRXNPFEDSA-N 1 0 380.452 2.155 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CSc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000821580093 599345256 /nfs/dbraw/zinc/34/52/56/599345256.db2.gz ZEZAOYPMMVUVJU-INIZCTEOSA-N 1 0 382.493 2.378 20 0 GEADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735966560 599356176 /nfs/dbraw/zinc/35/61/76/599356176.db2.gz UFJSYQFWWZYCJG-INIZCTEOSA-N 1 0 382.472 2.298 20 0 GEADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000735965447 599356634 /nfs/dbraw/zinc/35/66/34/599356634.db2.gz LOCCQATTWRAHDN-OAHLLOKOSA-N 1 0 382.472 2.298 20 0 GEADRO Brc1ccc(NCCCC[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000735369835 599362773 /nfs/dbraw/zinc/36/27/73/599362773.db2.gz XVMOSVSKJNXHEE-UHFFFAOYSA-N 1 0 381.278 2.154 20 0 GEADRO CC[C@@H](C(=O)NCCSCc1ccccc1-c1nn[nH]n1)[NH+](CC)CC ZINC000736312992 599371313 /nfs/dbraw/zinc/37/13/13/599371313.db2.gz KHYJMDVMSHQCKI-INIZCTEOSA-N 1 0 376.530 2.337 20 0 GEADRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1-c1nn[nH]n1 ZINC000821804054 599392820 /nfs/dbraw/zinc/39/28/20/599392820.db2.gz JGQDQANRMBQKRF-CYBMUJFWSA-N 1 0 376.424 2.307 20 0 GEADRO COc1ccc(C[NH2+][C@H](C)c2ccc(OCCO)c(OC)c2)cc1-c1nn[nH]n1 ZINC000821708745 599414941 /nfs/dbraw/zinc/41/49/41/599414941.db2.gz YLYZVYVCMYLMPH-CYBMUJFWSA-N 1 0 399.451 2.106 20 0 GEADRO C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820365501 599422014 /nfs/dbraw/zinc/42/20/14/599422014.db2.gz KLNBYXQHZWSRSW-OAHLLOKOSA-N 1 0 379.468 2.359 20 0 GEADRO COc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nn[nH]n1 ZINC000821805689 599428763 /nfs/dbraw/zinc/42/87/63/599428763.db2.gz WBVMRIGFACHPAM-UHFFFAOYSA-N 1 0 388.472 2.364 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000821810211 599434125 /nfs/dbraw/zinc/43/41/25/599434125.db2.gz XMFIWTWASKSKOD-AWEZNQCLSA-N 1 0 388.472 2.364 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)cc1-c1nn[nH]n1 ZINC000821810109 599442800 /nfs/dbraw/zinc/44/28/00/599442800.db2.gz WXUFCQHHOCSIAP-GOSISDBHSA-N 1 0 383.452 2.486 20 0 GEADRO COCC[N@H+](CCc1nc2ccccc2n1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736998639 599444536 /nfs/dbraw/zinc/44/45/36/599444536.db2.gz VRTMUDYZPUIYGR-UHFFFAOYSA-N 1 0 391.479 2.445 20 0 GEADRO CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821020523 599447602 /nfs/dbraw/zinc/44/76/02/599447602.db2.gz CSGSWMVQJFFJAB-DLBZAZTESA-N 1 0 380.500 2.496 20 0 GEADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000737742928 599478923 /nfs/dbraw/zinc/47/89/23/599478923.db2.gz RNYBGLWBAKKWHK-RDTXWAMCSA-N 1 0 380.427 2.097 20 0 GEADRO CCOc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1OC ZINC000736644620 599485075 /nfs/dbraw/zinc/48/50/75/599485075.db2.gz LYHSOCMBYFEVGF-UHFFFAOYSA-N 1 0 379.424 2.212 20 0 GEADRO CC(C)Oc1ccc([C@H](O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735915604 599490030 /nfs/dbraw/zinc/49/00/30/599490030.db2.gz QSGAILOWHPBATD-GOSISDBHSA-N 1 0 393.451 2.125 20 0 GEADRO C[C@H]1CC[C@H](CCC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)O1 ZINC000820683851 599493758 /nfs/dbraw/zinc/49/37/58/599493758.db2.gz IFABIRFBYRTFEC-MAUKXSAKSA-N 1 0 386.500 2.105 20 0 GEADRO Clc1cccc(-c2nn[nH]n2)c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000822582136 599507514 /nfs/dbraw/zinc/50/75/14/599507514.db2.gz QTMZYZJQXKNWCY-UHFFFAOYSA-N 1 0 376.892 2.459 20 0 GEADRO Oc1cccc(C[NH+]2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)c1 ZINC000823733355 599515638 /nfs/dbraw/zinc/51/56/38/599515638.db2.gz VBWLNKWMRQKLNU-UHFFFAOYSA-N 1 0 387.447 2.443 20 0 GEADRO CC[C@H]1CN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1C[C@H](C)O ZINC000820994226 599532700 /nfs/dbraw/zinc/53/27/00/599532700.db2.gz FWIUEBXVDPRPPF-RYUDHWBXSA-N 1 0 384.406 2.167 20 0 GEADRO CCOCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000821378338 599534614 /nfs/dbraw/zinc/53/46/14/599534614.db2.gz LYWKRXOWTASVOF-UHFFFAOYSA-N 1 0 387.875 2.227 20 0 GEADRO COCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)C[C@@H]1C ZINC000821691354 599535448 /nfs/dbraw/zinc/53/54/48/599535448.db2.gz RHGZJTCHYKMACI-LBPRGKRZSA-N 1 0 387.875 2.225 20 0 GEADRO C[NH+](C)Cc1ccc(N2CCN(c3c(Cl)cccc3-c3nn[nH]n3)CC2)nc1 ZINC000821588230 599537235 /nfs/dbraw/zinc/53/72/35/599537235.db2.gz IBGYMYPUALDGHP-UHFFFAOYSA-N 1 0 398.902 2.303 20 0 GEADRO C[NH+](C)Cc1ccc(N2CCN(c3cc(Cl)ccc3-c3nn[nH]n3)CC2)nc1 ZINC000821588354 599537388 /nfs/dbraw/zinc/53/73/88/599537388.db2.gz OBJNNECUYBCKIM-UHFFFAOYSA-N 1 0 398.902 2.303 20 0 GEADRO C[NH+](C)C1(CNc2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CCOCC1 ZINC000821581848 599557866 /nfs/dbraw/zinc/55/78/66/599557866.db2.gz WBUJVDZOTZLSQE-UHFFFAOYSA-N 1 0 387.875 2.013 20 0 GEADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1-c1nn[nH]n1 ZINC000821602641 599565860 /nfs/dbraw/zinc/56/58/60/599565860.db2.gz MEIBYZZLYRQDCR-UHFFFAOYSA-N 1 0 381.459 2.264 20 0 GEADRO CC(C)[NH+]1CCC(N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000820128073 599569765 /nfs/dbraw/zinc/56/97/65/599569765.db2.gz QAYBTBZLGRLRIU-UHFFFAOYSA-N 1 0 382.472 2.221 20 0 GEADRO C[C@@](CO)([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)C1CCCCC1 ZINC000820280960 599577977 /nfs/dbraw/zinc/57/79/77/599577977.db2.gz QBNGIDRQDGFFJQ-IBGZPJMESA-N 1 0 383.456 2.338 20 0 GEADRO C[C@](CO)([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)C1CCCCC1 ZINC000820280961 599578511 /nfs/dbraw/zinc/57/85/11/599578511.db2.gz QBNGIDRQDGFFJQ-LJQANCHMSA-N 1 0 383.456 2.338 20 0 GEADRO CC[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736401344 599580879 /nfs/dbraw/zinc/58/08/79/599580879.db2.gz IOHGNAVZFQJBGH-OAHLLOKOSA-N 1 0 397.483 2.101 20 0 GEADRO Fc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000737638912 599587102 /nfs/dbraw/zinc/58/71/02/599587102.db2.gz KHFNBXJZXVBICI-OAHLLOKOSA-N 1 0 378.415 2.428 20 0 GEADRO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737335043 599589930 /nfs/dbraw/zinc/58/99/30/599589930.db2.gz PGWUWYJEMAABLQ-INIZCTEOSA-N 1 0 378.480 2.354 20 0 GEADRO CCC[NH+]1CCC(N(C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000821109342 599638367 /nfs/dbraw/zinc/63/83/67/599638367.db2.gz IJNYVVYHUSSLQC-UHFFFAOYSA-N 1 0 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RIZXGWWCQNMLEP-UHFFFAOYSA-N 1 0 382.443 2.139 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000823099173 606551264 /nfs/dbraw/zinc/55/12/64/606551264.db2.gz ZIJCHTMBRBGMGW-IBGZPJMESA-N 1 0 390.491 2.090 20 0 GEADRO C[C@@H](C(=O)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1CCCCCC1 ZINC000819857661 606593653 /nfs/dbraw/zinc/59/36/53/606593653.db2.gz TXWHOWPGJJUIAY-INIZCTEOSA-N 1 0 397.527 2.216 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000821581412 606603555 /nfs/dbraw/zinc/60/35/55/606603555.db2.gz KPIIYHCRZCDWSY-FUHWJXTLSA-N 1 0 383.500 2.414 20 0 GEADRO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820421032 606619604 /nfs/dbraw/zinc/61/96/04/606619604.db2.gz ZXHWMWYAPVRXNY-MKBNYLNASA-N 1 0 392.891 2.498 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000820033609 606624484 /nfs/dbraw/zinc/62/44/84/606624484.db2.gz XOWKEOBTFVERLX-GLJUWKHASA-N 1 0 384.484 2.012 20 0 GEADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000821104402 606632783 /nfs/dbraw/zinc/63/27/83/606632783.db2.gz BQFZFEHDXZCYLD-WMLDXEAASA-N 1 0 383.500 2.414 20 0 GEADRO O=C(C[NH2+]C1(CCO)CCCCC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000823005534 606661086 /nfs/dbraw/zinc/66/10/86/606661086.db2.gz VMAUQWYZYVFZHN-UHFFFAOYSA-N 1 0 378.864 2.134 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821002223 606685716 /nfs/dbraw/zinc/68/57/16/606685716.db2.gz VBSFOBUPEOPYKW-STQMWFEESA-N 1 0 376.411 2.234 20 0 GEADRO Cc1cc(C)cc(OCCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c1 ZINC000822197779 606701038 /nfs/dbraw/zinc/70/10/38/606701038.db2.gz PBURNXHPUUVZBN-UHFFFAOYSA-N 1 0 384.488 2.122 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000821241278 606731559 /nfs/dbraw/zinc/73/15/59/606731559.db2.gz LMPZQCUCGPRKIN-BMIGLBTASA-N 1 0 389.410 2.190 20 0 GEADRO CC1(C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC2)OCCO1 ZINC000820612222 606749952 /nfs/dbraw/zinc/74/99/52/606749952.db2.gz BZIDRKNITMVZPI-UHFFFAOYSA-N 1 0 395.410 2.443 20 0 GEADRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000821897115 606769695 /nfs/dbraw/zinc/76/96/95/606769695.db2.gz DIPXHENDXVCHSK-XJKSGUPXSA-N 1 0 378.436 2.331 20 0 GEADRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821896872 606769699 /nfs/dbraw/zinc/76/96/99/606769699.db2.gz CXYNIYFHPDTJTC-CJNGLKHVSA-N 1 0 378.436 2.331 20 0 GEADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC000820788915 606781951 /nfs/dbraw/zinc/78/19/51/606781951.db2.gz RGBAULGBKDHOML-AWEZNQCLSA-N 1 0 398.902 2.453 20 0 GEADRO Cc1nc2sccn2c1C[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822467097 606788769 /nfs/dbraw/zinc/78/87/69/606788769.db2.gz HHNVBRHKVRAKJX-UHFFFAOYSA-N 1 0 396.480 2.345 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821583308 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ZINC000826210756 608527726 /nfs/dbraw/zinc/52/77/26/608527726.db2.gz CXNYYLUQPJFPQG-KRWDZBQOSA-N 1 0 381.436 2.196 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1nc2c(s1)CCC2 ZINC000826412601 608531830 /nfs/dbraw/zinc/53/18/30/608531830.db2.gz VDYBCPMPEPYVKG-UHFFFAOYSA-N 1 0 381.465 2.029 20 0 GEADRO COc1cc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc(OC)c1 ZINC000826180517 608533909 /nfs/dbraw/zinc/53/39/09/608533909.db2.gz LACCFEPCGHYKAZ-UHFFFAOYSA-N 1 0 394.435 2.101 20 0 GEADRO Cc1cccc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826296250 608536088 /nfs/dbraw/zinc/53/60/88/608536088.db2.gz OTBXGOARASVYFC-UHFFFAOYSA-N 1 0 385.493 2.474 20 0 GEADRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000826134133 608546255 /nfs/dbraw/zinc/54/62/55/608546255.db2.gz SOQURDCZEFWLIM-INIZCTEOSA-N 1 0 393.447 2.441 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1F ZINC000824572860 608559247 /nfs/dbraw/zinc/55/92/47/608559247.db2.gz XODFRHCWMURWIK-WCQYABFASA-N 1 0 375.379 2.235 20 0 GEADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)cs3)C2)n1 ZINC000826299082 608560378 /nfs/dbraw/zinc/56/03/78/608560378.db2.gz QIJOBACSTPZNDU-CYBMUJFWSA-N 1 0 383.481 2.482 20 0 GEADRO C[S@@](=O)C[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826224784 608580108 /nfs/dbraw/zinc/58/01/08/608580108.db2.gz LOLFNZQMYQXOMI-XRHLQHRESA-N 1 0 385.493 2.345 20 0 GEADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825492599 608580807 /nfs/dbraw/zinc/58/08/07/608580807.db2.gz HBJKTIQHWCNFSK-OLZOCXBDSA-N 1 0 383.374 2.463 20 0 GEADRO CN(CC[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1)C(=O)OC(C)(C)C ZINC000825946222 608583532 /nfs/dbraw/zinc/58/35/32/608583532.db2.gz OQSNGEMWCVQPTC-UHFFFAOYSA-N 1 0 376.461 2.044 20 0 GEADRO Cn1nc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c2ccccc21 ZINC000826366094 608585018 /nfs/dbraw/zinc/58/50/18/608585018.db2.gz RVCPPCKCPKQXTM-UHFFFAOYSA-N 1 0 388.479 2.466 20 0 GEADRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000826179479 608587413 /nfs/dbraw/zinc/58/74/13/608587413.db2.gz PTNRICNHIVCXLE-KBXCAEBGSA-N 1 0 395.463 2.267 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CCc1ccncc1 ZINC000824045916 608640832 /nfs/dbraw/zinc/64/08/32/608640832.db2.gz PDJSNVLFLRYTES-GFCCVEGCSA-N 1 0 385.859 2.417 20 0 GEADRO Cc1ncccc1C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000826330755 608655695 /nfs/dbraw/zinc/65/56/95/608655695.db2.gz HFCXDGRYNKBXAI-UHFFFAOYSA-N 1 0 386.463 2.441 20 0 GEADRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826454850 608661635 /nfs/dbraw/zinc/66/16/35/608661635.db2.gz NPCGBWIDJNERTF-UHFFFAOYSA-N 1 0 384.465 2.485 20 0 GEADRO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)n1 ZINC000826299596 608664282 /nfs/dbraw/zinc/66/42/82/608664282.db2.gz MCVBBPIOJRIBGP-HNNXBMFYSA-N 1 0 389.467 2.152 20 0 GEADRO C[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000825961954 608688376 /nfs/dbraw/zinc/68/83/76/608688376.db2.gz PQKBKRMDTQVDSR-LJQANCHMSA-N 1 0 396.495 2.337 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000826518209 608745328 /nfs/dbraw/zinc/74/53/28/608745328.db2.gz GCPCIEXRGVDDDH-GOSISDBHSA-N 1 0 397.483 2.065 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000824329375 608815580 /nfs/dbraw/zinc/81/55/80/608815580.db2.gz NVECQCYGLRHTLC-DZGCQCFKSA-N 1 0 385.472 2.354 20 0 GEADRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825506818 608846524 /nfs/dbraw/zinc/84/65/24/608846524.db2.gz NMPWYJACVBWQAN-AWEZNQCLSA-N 1 0 383.456 2.070 20 0 GEADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826189046 608863443 /nfs/dbraw/zinc/86/34/43/608863443.db2.gz MACGOWTWKZVGJG-IBGZPJMESA-N 1 0 392.463 2.442 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824617988 609137055 /nfs/dbraw/zinc/13/70/55/609137055.db2.gz MERPTUORNJTUAH-LLVKDONJSA-N 1 0 390.444 2.228 20 0 GEADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548341 609152914 /nfs/dbraw/zinc/15/29/14/609152914.db2.gz WISKAESUEFDNIJ-BKTGTZMESA-N 1 0 388.491 2.424 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546508 609152964 /nfs/dbraw/zinc/15/29/64/609152964.db2.gz JNAONLYDQBKARQ-TVQRCGJNSA-N 1 0 386.353 2.210 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000446396377 649979456 /nfs/dbraw/zinc/97/94/56/649979456.db2.gz ABWUBJZOPCXXAV-IACUBPJLSA-N 1 0 380.286 2.188 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000446405708 649979549 /nfs/dbraw/zinc/97/95/49/649979549.db2.gz MCBAAQBQHUJMPZ-NXEZZACHSA-N 1 0 384.221 2.167 20 0 GEADRO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824093713 609166679 /nfs/dbraw/zinc/16/66/79/609166679.db2.gz LDSNONVNBJONBU-GOSISDBHSA-N 1 0 397.527 2.215 20 0 GEADRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826314785 609169092 /nfs/dbraw/zinc/16/90/92/609169092.db2.gz MMMZSCSLQSWSEO-KSSFIOAISA-N 1 0 377.452 2.416 20 0 GEADRO O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000826398012 609209731 /nfs/dbraw/zinc/20/97/31/609209731.db2.gz OMVKITWSRGVWDD-LJQANCHMSA-N 1 0 398.511 2.015 20 0 GEADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000826469059 609221687 /nfs/dbraw/zinc/22/16/87/609221687.db2.gz SNDPPABGPHAOMB-OAQYLSRUSA-N 1 0 391.479 2.323 20 0 GEADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826468927 609227606 /nfs/dbraw/zinc/22/76/06/609227606.db2.gz NHUTXFBFTCCXAK-APWZRJJASA-N 1 0 391.479 2.322 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825411706 609229877 /nfs/dbraw/zinc/22/98/77/609229877.db2.gz CVOXGDNOTCNMCC-UHFFFAOYSA-N 1 0 396.499 2.213 20 0 GEADRO CCC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000825254485 609232442 /nfs/dbraw/zinc/23/24/42/609232442.db2.gz SCIKXPFZDDQRQU-KRWDZBQOSA-N 1 0 379.468 2.322 20 0 GEADRO O[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000826506307 609282490 /nfs/dbraw/zinc/28/24/90/609282490.db2.gz RKTWSFOGRJDSPJ-FQEVSTJZSA-N 1 0 378.411 2.352 20 0 GEADRO C[C@@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824480095 609285150 /nfs/dbraw/zinc/28/51/50/609285150.db2.gz SVKMAHBVLBLAFU-GDBMZVCRSA-N 1 0 384.484 2.015 20 0 GEADRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000825839900 609297337 /nfs/dbraw/zinc/29/73/37/609297337.db2.gz KUOPBBUNTQBLHE-UHFFFAOYSA-N 1 0 394.426 2.158 20 0 GEADRO C[C@@H](NC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824498132 609298481 /nfs/dbraw/zinc/29/84/81/609298481.db2.gz CDHJTMVHBLHNRE-PBHICJAKSA-N 1 0 383.500 2.319 20 0 GEADRO C[C@H](NC(=O)CNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477651 609315743 /nfs/dbraw/zinc/31/57/43/609315743.db2.gz BNDIIECHJHFCMK-HOCLYGCPSA-N 1 0 383.500 2.048 20 0 GEADRO CCc1c(C)[nH+]c2ccccc2c1NCCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825687972 609316131 /nfs/dbraw/zinc/31/61/31/609316131.db2.gz PCGFWRWHMOAVHN-UHFFFAOYSA-N 1 0 377.456 2.058 20 0 GEADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826211104 609325604 /nfs/dbraw/zinc/32/56/04/609325604.db2.gz PIPMPJBLUMADQQ-GTNSWQLSSA-N 1 0 387.415 2.407 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824571699 609332928 /nfs/dbraw/zinc/33/29/28/609332928.db2.gz RCWINDLOUBWFNB-ZYHUDNBSSA-N 1 0 393.369 2.375 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554895 609334359 /nfs/dbraw/zinc/33/43/59/609334359.db2.gz SNUZLKRUBCIAPN-JSGCOSHPSA-N 1 0 395.442 2.034 20 0 GEADRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000825849359 609335413 /nfs/dbraw/zinc/33/54/13/609335413.db2.gz KRRRHDNFZOAYFL-QGZVFWFLSA-N 1 0 392.467 2.253 20 0 GEADRO Cn1cc(C[NH2+]C[C@H]2Cc3ccccc3O2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361576 609335975 /nfs/dbraw/zinc/33/59/75/609335975.db2.gz DDBNGAVSVBFRLX-GOSISDBHSA-N 1 0 387.447 2.361 20 0 GEADRO Cn1cc(C[NH2+]C[C@H](O)C2CCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360904 609338541 /nfs/dbraw/zinc/33/85/41/609338541.db2.gz CFRPAEDODAXTDB-SFHVURJKSA-N 1 0 381.484 2.298 20 0 GEADRO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)nn1 ZINC000826289885 609342121 /nfs/dbraw/zinc/34/21/21/609342121.db2.gz QNZYMTARQMDLAI-DZGCQCFKSA-N 1 0 382.447 2.424 20 0 GEADRO Cn1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361213 609343649 /nfs/dbraw/zinc/34/36/49/609343649.db2.gz PPDVJHSRKXSDHW-KRWDZBQOSA-N 1 0 379.468 2.459 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825000520 609361886 /nfs/dbraw/zinc/36/18/86/609361886.db2.gz RQLKILULJQGJIH-FZMZJTMJSA-N 1 0 377.290 2.298 20 0 GEADRO Cc1cccc(CCC[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000826297467 609364308 /nfs/dbraw/zinc/36/43/08/609364308.db2.gz JAWGFBJIXKJMNE-MRXNPFEDSA-N 1 0 378.484 2.108 20 0 GEADRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@@H]3CC(=O)N(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1 ZINC000824915524 609367831 /nfs/dbraw/zinc/36/78/31/609367831.db2.gz FTUSHXLSHSEZIP-AUJRIZCKSA-N 1 0 380.452 2.011 20 0 GEADRO O=C1[C@H]([NH2+]Cc2cc(F)cc(F)c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476105 609413645 /nfs/dbraw/zinc/41/36/45/609413645.db2.gz AULJXFNCWRLXPS-QGZVFWFLSA-N 1 0 384.390 2.430 20 0 GEADRO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@H]2CCCO[C@@H]21 ZINC000824784149 609416061 /nfs/dbraw/zinc/41/60/61/609416061.db2.gz NWNXGCPZHUNALF-TVFCKZIOSA-N 1 0 396.495 2.155 20 0 GEADRO OC[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1c(F)cccc1F ZINC000826507614 609425578 /nfs/dbraw/zinc/42/55/78/609425578.db2.gz SBCXSJADDXTYDB-INIZCTEOSA-N 1 0 375.379 2.237 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000826176689 609428073 /nfs/dbraw/zinc/42/80/73/609428073.db2.gz ZGPIFJHOXMTHIN-HNNXBMFYSA-N 1 0 389.843 2.231 20 0 GEADRO Cc1sc(NC(=O)C[NH2+][C@H](CO)C2CCCCC2)c(-c2nn[nH]n2)c1C ZINC000826349484 609428830 /nfs/dbraw/zinc/42/88/30/609428830.db2.gz JGUKPAFAUXBMJQ-CYBMUJFWSA-N 1 0 378.502 2.014 20 0 GEADRO C[NH+](C)CCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)c(F)c1 ZINC000825866350 609494790 /nfs/dbraw/zinc/49/47/90/609494790.db2.gz WWTMXVKYCCWWOI-UHFFFAOYSA-N 1 0 385.403 2.481 20 0 GEADRO Cc1ccncc1C=CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826315538 609500933 /nfs/dbraw/zinc/50/09/33/609500933.db2.gz MEHQWURWMMTJKS-BQYQJAHWSA-N 1 0 391.479 2.174 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CCCCC1 ZINC000825848240 609534757 /nfs/dbraw/zinc/53/47/57/609534757.db2.gz AOPJLQCOENFKOV-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO Cc1ccnc(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826312898 609535357 /nfs/dbraw/zinc/53/53/57/609535357.db2.gz RAWSURKPQZYUSW-INIZCTEOSA-N 1 0 378.484 2.193 20 0 GEADRO Cc1ccnc(NCc2ccccc2C[NH+]2CCC(O)CC2)c1-c1nn[nH]n1 ZINC000826314478 609564728 /nfs/dbraw/zinc/56/47/28/609564728.db2.gz YTTREFIZGDEDOS-UHFFFAOYSA-N 1 0 379.468 2.139 20 0 GEADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4nccnc4-c4nn[nH]n4)[C@@H]3C2)cc1 ZINC000826521415 609595791 /nfs/dbraw/zinc/59/57/91/609595791.db2.gz LIKZEPDZZFJBFN-GVDBMIGSSA-N 1 0 376.468 2.369 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(F)c(Br)cc3F)C[C@@H]21 ZINC000447243968 650002961 /nfs/dbraw/zinc/00/29/61/650002961.db2.gz CBMMAQWOGMULKI-MWODSPESSA-N 1 0 395.269 2.475 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000447241927 650002969 /nfs/dbraw/zinc/00/29/69/650002969.db2.gz DEWRZMXGVZDBTL-GHMZBOCLSA-N 1 0 377.304 2.185 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000447252816 650004150 /nfs/dbraw/zinc/00/41/50/650004150.db2.gz UFAXRUNPHHSIRK-MNOVXSKESA-N 1 0 377.304 2.124 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)C[C@H]1[NH3+] ZINC000447255268 650004253 /nfs/dbraw/zinc/00/42/53/650004253.db2.gz FUHNWYSFWRIUAT-ZWNOBZJWSA-N 1 0 384.395 2.071 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000448933877 650026018 /nfs/dbraw/zinc/02/60/18/650026018.db2.gz SIKZCNSLBGRIJU-CQSZACIVSA-N 1 0 393.285 2.085 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449118606 650031878 /nfs/dbraw/zinc/03/18/78/650031878.db2.gz TVTFYNZDSBWLPV-UHFFFAOYSA-N 1 0 379.295 2.349 20 0 GEADRO CCC[NH+]1CCN(Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)CC1 ZINC000449002223 650029439 /nfs/dbraw/zinc/02/94/39/650029439.db2.gz JVCUHSGAGYZCNE-AWEZNQCLSA-N 1 0 398.345 2.490 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(I)cc1 ZINC000449078252 650031071 /nfs/dbraw/zinc/03/10/71/650031071.db2.gz LJLKXZXOYLPCPW-UHFFFAOYSA-N 1 0 396.294 2.052 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449127177 650032336 /nfs/dbraw/zinc/03/23/36/650032336.db2.gz OEERAHAOTKHCSG-OAHLLOKOSA-N 1 0 384.293 2.329 20 0 GEADRO C[C@@H](C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(F)cc(F)c1 ZINC000449154737 650033468 /nfs/dbraw/zinc/03/34/68/650033468.db2.gz JJTVARLWDPTBKW-SUMWQHHRSA-N 1 0 376.469 2.146 20 0 GEADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449186696 650033865 /nfs/dbraw/zinc/03/38/65/650033865.db2.gz JSSNBPMUYRFWSP-MRXNPFEDSA-N 1 0 381.519 2.432 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449335606 650038793 /nfs/dbraw/zinc/03/87/93/650038793.db2.gz LQLKBRCAELHNBL-UHFFFAOYSA-N 1 0 379.295 2.315 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000449279616 650037298 /nfs/dbraw/zinc/03/72/98/650037298.db2.gz RPRGAWOPWYQUGO-ZWNOBZJWSA-N 1 0 375.252 2.266 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+]Cc1ccc(I)c(C)c1 ZINC000449298590 650037698 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O=S1(=O)CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000449409808 650040234 /nfs/dbraw/zinc/04/02/34/650040234.db2.gz WLFLAPOONBEDFB-XHSDSOJGSA-N 1 0 377.428 2.481 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000449439894 650040806 /nfs/dbraw/zinc/04/08/06/650040806.db2.gz AXCARSXYQDHBFM-TZMCWYRMSA-N 1 0 375.922 2.283 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000449443986 650041050 /nfs/dbraw/zinc/04/10/50/650041050.db2.gz XNVVVSSGJTZBNA-GWCFXTLKSA-N 1 0 381.311 2.437 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000449596643 650043109 /nfs/dbraw/zinc/04/31/09/650043109.db2.gz BVKGEOBABXLFAA-ZFWWWQNUSA-N 1 0 392.359 2.321 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)Cn1cccn1 ZINC000449685900 650045681 /nfs/dbraw/zinc/04/56/81/650045681.db2.gz WNFZNESKCYOMMA-KGLIPLIRSA-N 1 0 382.302 2.484 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449600773 650043623 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LCPRWNRUXIWVGZ-IUODEOHRSA-N 1 0 387.318 2.065 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000456876192 650365212 /nfs/dbraw/zinc/36/52/12/650365212.db2.gz GFBRIGGQORKBKZ-UHFFFAOYSA-N 1 0 398.345 2.230 20 0 GEADRO CCC[C@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[NH+](C)C ZINC000456978635 650369433 /nfs/dbraw/zinc/36/94/33/650369433.db2.gz HUHJDDZMOLRLRO-CYBMUJFWSA-N 1 0 385.306 2.350 20 0 GEADRO CC(C)(CNC(=O)C(=O)Nc1nc2c(s1)CSCC2)C[NH+]1CCCC1 ZINC000500383357 650376044 /nfs/dbraw/zinc/37/60/44/650376044.db2.gz XJAKATSQXZKORD-UHFFFAOYSA-N 1 0 382.555 2.109 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000457536145 650380503 /nfs/dbraw/zinc/38/05/03/650380503.db2.gz LHQZUBWEFFMKFL-UHFFFAOYSA-N 1 0 387.933 2.289 20 0 GEADRO CC[NH+](CC)CCNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000457383692 650377001 /nfs/dbraw/zinc/37/70/01/650377001.db2.gz GFFWBBBOAIDIMZ-UHFFFAOYSA-N 1 0 375.922 2.145 20 0 GEADRO COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000500459904 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CCS(=O)(=O)c1cccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000501002862 650385930 /nfs/dbraw/zinc/38/59/30/650385930.db2.gz UOESXCKVMUABNR-QGZVFWFLSA-N 1 0 380.897 2.320 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000501256109 650388547 /nfs/dbraw/zinc/38/85/47/650388547.db2.gz ZZSXTRCXKIKTRQ-CABCVRRESA-N 1 0 387.571 2.138 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000501253978 650388613 /nfs/dbraw/zinc/38/86/13/650388613.db2.gz OWLYIGFPLPZLOX-AWEZNQCLSA-N 1 0 387.571 2.383 20 0 GEADRO O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)C12CCC[NH+]1CCC2 ZINC000458094508 650395012 /nfs/dbraw/zinc/39/50/12/650395012.db2.gz DRBMJGWWUHCOMQ-CQSZACIVSA-N 1 0 399.304 2.484 20 0 GEADRO Cc1cc(S(=O)(=O)NCCNC(=O)CC[C@H]2CCCC[N@H+]2C)c(C)s1 ZINC000501810184 650397526 /nfs/dbraw/zinc/39/75/26/650397526.db2.gz YDPTXZAGMZPRQT-OAHLLOKOSA-N 1 0 387.571 2.024 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1nc(C(F)(F)F)cs1 ZINC000458722280 650409176 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C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000503067473 650414108 /nfs/dbraw/zinc/41/41/08/650414108.db2.gz RTCPKNGGSUPWML-WFASDCNBSA-N 1 0 392.301 2.475 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)ccc2Br)C[C@H]1[NH+](C)C ZINC000503211561 650415904 /nfs/dbraw/zinc/41/59/04/650415904.db2.gz JGTRPQIYSIRXSF-CHWSQXEVSA-N 1 0 393.372 2.424 20 0 GEADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000503511957 650418993 /nfs/dbraw/zinc/41/89/93/650418993.db2.gz RPQCMTJXNIGOOM-ZJUUUORDSA-N 1 0 375.803 2.466 20 0 GEADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000503522186 650419306 /nfs/dbraw/zinc/41/93/06/650419306.db2.gz JIUKTFMQQHHDTQ-GJZGRUSLSA-N 1 0 385.555 2.105 20 0 GEADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000503522188 650419352 /nfs/dbraw/zinc/41/93/52/650419352.db2.gz JIUKTFMQQHHDTQ-HUUCEWRRSA-N 1 0 385.555 2.105 20 0 GEADRO Cc1cc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1Br ZINC000459190678 650420718 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GEADRO C[C@H](NC(=O)C[NH2+]C1(CO)CCSCC1)c1ccc(Br)cc1 ZINC000459708140 650430584 /nfs/dbraw/zinc/43/05/84/650430584.db2.gz JBTJROVASGCIDO-LBPRGKRZSA-N 1 0 387.343 2.474 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000505015234 650434333 /nfs/dbraw/zinc/43/43/33/650434333.db2.gz WRWJNOGRXQRMQI-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO CCCCc1nnc(NC(=O)CN2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)s1 ZINC000460356440 650441954 /nfs/dbraw/zinc/44/19/54/650441954.db2.gz ZZAPYBOOGSKQMS-UONOGXRCSA-N 1 0 383.587 2.331 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCn1cc(Br)ccc1=O ZINC000461262571 650451371 /nfs/dbraw/zinc/45/13/71/650451371.db2.gz KFGZXBCATFTBQS-HNNXBMFYSA-N 1 0 384.318 2.334 20 0 GEADRO C[N@H+](CCCOc1cccc(I)c1)[C@]1(CO)CCOC1 ZINC000461378317 650453145 /nfs/dbraw/zinc/45/31/45/650453145.db2.gz JYILDCBSFHTFHZ-HNNXBMFYSA-N 1 0 391.249 2.143 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000461621321 650457315 /nfs/dbraw/zinc/45/73/15/650457315.db2.gz SPZYZSWFOOZPMT-CQSZACIVSA-N 1 0 389.949 2.245 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000461652467 650458448 /nfs/dbraw/zinc/45/84/48/650458448.db2.gz YPFCJGWVYSELGS-AWEZNQCLSA-N 1 0 389.949 2.245 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccccc1I ZINC000507484032 650461146 /nfs/dbraw/zinc/46/11/46/650461146.db2.gz SDKRNYJOXGMIDI-JTQLQIEISA-N 1 0 384.221 2.095 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000461901056 650462300 /nfs/dbraw/zinc/46/23/00/650462300.db2.gz NCAOCEJRNOHPAO-GXTWGEPZSA-N 1 0 389.315 2.124 20 0 GEADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cncc(Br)c2)CC1 ZINC000462409617 650478155 /nfs/dbraw/zinc/47/81/55/650478155.db2.gz LIMFLDPMNIMCFX-UHFFFAOYSA-N 1 0 376.320 2.244 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000508420390 650480190 /nfs/dbraw/zinc/48/01/90/650480190.db2.gz YEESIMDQGADVRK-UHFFFAOYSA-N 1 0 382.302 2.123 20 0 GEADRO COCC[N@H+](C)CCOc1cccc(CNS(=O)(=O)c2ccsc2)c1 ZINC000508531363 650481805 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Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000467058409 650501905 /nfs/dbraw/zinc/50/19/05/650501905.db2.gz PPXULWFSAFFOMN-IAQYHMDHSA-N 1 0 380.286 2.295 20 0 GEADRO CCS(=O)(=O)NCCC[N@H+](C)Cc1cc(Br)ccc1OC ZINC000510363781 650510848 /nfs/dbraw/zinc/51/08/48/650510848.db2.gz TYKUQBOMIDWFOJ-UHFFFAOYSA-N 1 0 379.320 2.219 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)CCSC1 ZINC000469332562 650509177 /nfs/dbraw/zinc/50/91/77/650509177.db2.gz KSGSYIHQQJZFCJ-HOTGVXAUSA-N 1 0 375.460 2.433 20 0 GEADRO COc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)c(I)c1 ZINC000472085515 650519295 /nfs/dbraw/zinc/51/92/95/650519295.db2.gz LZTGTTDNMQUJDD-JTQLQIEISA-N 1 0 376.238 2.370 20 0 GEADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000510792178 650519285 /nfs/dbraw/zinc/51/92/85/650519285.db2.gz QIEXZLOJZABHKB-MAZHCROVSA-N 1 0 385.555 2.186 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCn2cc(Br)cn2)C1 ZINC000511247066 650530744 /nfs/dbraw/zinc/53/07/44/650530744.db2.gz FUQADAPDDKTVGH-AWEZNQCLSA-N 1 0 384.322 2.019 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)NCCn2cc(Br)cn2)CC1 ZINC000511253314 650530827 /nfs/dbraw/zinc/53/08/27/650530827.db2.gz ZORYXFVMCPDMCV-UHFFFAOYSA-N 1 0 386.338 2.409 20 0 GEADRO COCCCS(=O)(=O)NCC[N@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000475347209 650532183 /nfs/dbraw/zinc/53/21/83/650532183.db2.gz GMJYQYOKGABEMC-ABHNRTSZSA-N 1 0 376.563 2.002 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cnc2n1CCC2 ZINC000475530181 650534897 /nfs/dbraw/zinc/53/48/97/650534897.db2.gz MVQHUZZOFPADKE-UHFFFAOYSA-N 1 0 382.555 2.424 20 0 GEADRO COc1c[nH+]ccc1N1CCN(Cc2c(Br)c(C)nn2C)CC1 ZINC000475624773 650535706 /nfs/dbraw/zinc/53/57/06/650535706.db2.gz NBULPHRJUIWUOY-UHFFFAOYSA-N 1 0 380.290 2.217 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000511670496 650540593 /nfs/dbraw/zinc/54/05/93/650540593.db2.gz BGVHZNZOEOJEGD-BDAKNGLRSA-N 1 0 390.228 2.265 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000511670499 650540641 /nfs/dbraw/zinc/54/06/41/650540641.db2.gz BGVHZNZOEOJEGD-RKDXNWHRSA-N 1 0 390.228 2.265 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Cc2cscc2Br)CC1 ZINC000476327695 650548518 /nfs/dbraw/zinc/54/85/18/650548518.db2.gz WJQBZYUBKVTIPD-ZDUSSCGKSA-N 1 0 375.332 2.262 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000512440869 650549219 /nfs/dbraw/zinc/54/92/19/650549219.db2.gz JEFONGYLUZNKBA-AWEZNQCLSA-N 1 0 383.334 2.226 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(OC)cc1Br ZINC000512109076 650545548 /nfs/dbraw/zinc/54/55/48/650545548.db2.gz VICLGJBLDZZFRJ-UHFFFAOYSA-N 1 0 379.320 2.219 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCSCC2)[C@@H]1c1cccs1 ZINC000512613941 650551495 /nfs/dbraw/zinc/55/14/95/650551495.db2.gz UMZLUMYICVVZSW-GDBMZVCRSA-N 1 0 381.567 2.213 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512364967 650546819 /nfs/dbraw/zinc/54/68/19/650546819.db2.gz PKRITBCHFHYJQI-HIFRSBDPSA-N 1 0 385.302 2.179 20 0 GEADRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1cncc(Br)c1 ZINC000476636818 650556470 /nfs/dbraw/zinc/55/64/70/650556470.db2.gz PVWKRQKYUQQXMS-LBPRGKRZSA-N 1 0 376.320 2.387 20 0 GEADRO COc1cccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1OC(F)F ZINC000513021658 650556692 /nfs/dbraw/zinc/55/66/92/650556692.db2.gz HTCILFKOUZAHDO-CYBMUJFWSA-N 1 0 378.441 2.200 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)COC(C)C)c1 ZINC000513056339 650557000 /nfs/dbraw/zinc/55/70/00/650557000.db2.gz IUKIVFWGCQCVCH-ZDUSSCGKSA-N 1 0 393.347 2.439 20 0 GEADRO COC(=O)C[C@@](C)([NH2+]CCCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000513117370 650558036 /nfs/dbraw/zinc/55/80/36/650558036.db2.gz RRJJKWMQYKQHDP-OAHLLOKOSA-N 1 0 392.315 2.252 20 0 GEADRO COC(=O)C[C@@](C)([NH2+]CC(=O)N(C)C1CC1)c1ccc(Br)cc1 ZINC000513127296 650558077 /nfs/dbraw/zinc/55/80/77/650558077.db2.gz GDAKOXCLZLDBAE-QGZVFWFLSA-N 1 0 383.286 2.438 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)C(C)(C)C[NH+](C)C ZINC000513463373 650563553 /nfs/dbraw/zinc/56/35/53/650563553.db2.gz LZXMLXVTHZLUCI-NWDGAFQWSA-N 1 0 399.333 2.114 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000513463093 650563566 /nfs/dbraw/zinc/56/35/66/650563566.db2.gz ZYZTYSPYKACAAA-PWSUYJOCSA-N 1 0 392.677 2.337 20 0 GEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Br ZINC000476994025 650564991 /nfs/dbraw/zinc/56/49/91/650564991.db2.gz TZAGBSVAAARIIC-GOSISDBHSA-N 1 0 390.281 2.211 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000477116345 650569080 /nfs/dbraw/zinc/56/90/80/650569080.db2.gz OSPOKGTWDOGIPS-HUUCEWRRSA-N 1 0 376.494 2.474 20 0 GEADRO CC[NH+](CC)CCNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000513881072 650570760 /nfs/dbraw/zinc/57/07/60/650570760.db2.gz JJNGDPJLYPLBNH-UHFFFAOYSA-N 1 0 386.290 2.361 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000477247209 650573055 /nfs/dbraw/zinc/57/30/55/650573055.db2.gz HPMQRPHMWCJUST-WFASDCNBSA-N 1 0 399.333 2.271 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@H]1SC ZINC000514658800 650575865 /nfs/dbraw/zinc/57/58/65/650575865.db2.gz YWRRFPDQTBIOHY-HLPPOEQASA-N 1 0 390.596 2.400 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@]1(C)CCCS1)c1ccc(Cl)cc1 ZINC000514809433 650579869 /nfs/dbraw/zinc/57/98/69/650579869.db2.gz DYBUFLYHMIVPRD-QAPCUYQASA-N 1 0 383.945 2.461 20 0 GEADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000514856807 650581332 /nfs/dbraw/zinc/58/13/32/650581332.db2.gz CINOIWFLJJFPCK-BHDSKKPTSA-N 1 0 378.238 2.024 20 0 GEADRO C[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)CN1CCOCC1 ZINC000514867859 650581521 /nfs/dbraw/zinc/58/15/21/650581521.db2.gz SBASYYLAODVUDJ-CQSZACIVSA-N 1 0 394.317 2.088 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000514869003 650581960 /nfs/dbraw/zinc/58/19/60/650581960.db2.gz GWVLWAHFRUNMPW-UHFFFAOYSA-N 1 0 384.929 2.483 20 0 GEADRO C[N@H+](CC(=O)N[C@H](CO)c1ccccc1OC(F)(F)F)[C@@H]1CCSC1 ZINC000478138448 650583486 /nfs/dbraw/zinc/58/34/86/650583486.db2.gz CHFZRYYTCBJYSJ-DGCLKSJQSA-N 1 0 378.416 2.172 20 0 GEADRO CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000514949335 650584256 /nfs/dbraw/zinc/58/42/56/650584256.db2.gz IPNCVHSGCFHXOC-IXDOHACOSA-N 1 0 388.599 2.018 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000515221033 650589893 /nfs/dbraw/zinc/58/98/93/650589893.db2.gz LZODZVJRHAPKPA-SMDDNHRTSA-N 1 0 398.301 2.360 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000515221029 650589952 /nfs/dbraw/zinc/58/99/52/650589952.db2.gz LZODZVJRHAPKPA-FZMZJTMJSA-N 1 0 398.301 2.360 20 0 GEADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000515236404 650590164 /nfs/dbraw/zinc/59/01/64/650590164.db2.gz MRZYOMXXSTYNAW-UHFFFAOYSA-N 1 0 395.301 2.247 20 0 GEADRO C[C@@H](OC[C@H](O)C[NH2+]CC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000515234647 650590265 /nfs/dbraw/zinc/59/02/65/650590265.db2.gz MLGNVBCPXCRTIA-CXAGYDPISA-N 1 0 375.918 2.193 20 0 GEADRO CCSc1ccc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000478875450 650592370 /nfs/dbraw/zinc/59/23/70/650592370.db2.gz XFGSPWPQMIQUEI-INIZCTEOSA-N 1 0 384.567 2.380 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccc1Br ZINC000515368608 650592970 /nfs/dbraw/zinc/59/29/70/650592970.db2.gz HFBXKSWVTHKUSL-NSHDSACASA-N 1 0 386.290 2.241 20 0 GEADRO CCCCNC(=O)[C@H]1CSCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000516661203 650599624 /nfs/dbraw/zinc/59/96/24/650599624.db2.gz MMDGTHKREMKHKB-HZPDHXFCSA-N 1 0 385.599 2.022 20 0 GEADRO COCC1(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000479138465 650597326 /nfs/dbraw/zinc/59/73/26/650597326.db2.gz QKPHBMMORZRXSU-CYBMUJFWSA-N 1 0 385.302 2.349 20 0 GEADRO NCC(F)(F)CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000516486742 650597445 /nfs/dbraw/zinc/59/74/45/650597445.db2.gz DSZKIOLYZFZUGO-UHFFFAOYSA-N 1 0 375.847 2.284 20 0 GEADRO CCCCS(=O)(=O)N1CCC(C(=O)N[C@H](C)C[N@H+](CC)CCC)CC1 ZINC000516520630 650598153 /nfs/dbraw/zinc/59/81/53/650598153.db2.gz QIVIJBCULMZGJW-MRXNPFEDSA-N 1 0 375.579 2.065 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000516551530 650598684 /nfs/dbraw/zinc/59/86/84/650598684.db2.gz WWKSDFAWACKOJB-UHFFFAOYSA-N 1 0 382.180 2.132 20 0 GEADRO Cn1cnc(CCNC(=O)NCc2cc(Br)cc3c2OCC3)c1 ZINC000516730480 650601089 /nfs/dbraw/zinc/60/10/89/650601089.db2.gz CVPXUFIWXACYKJ-UHFFFAOYSA-N 1 0 379.258 2.159 20 0 GEADRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479409510 650603033 /nfs/dbraw/zinc/60/30/33/650603033.db2.gz PFQDWTTXKJUNEH-JTQLQIEISA-N 1 0 396.340 2.454 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCOC1 ZINC000479433024 650603488 /nfs/dbraw/zinc/60/34/88/650603488.db2.gz XDSZSEXJEVVAIG-XPTSAGLGSA-N 1 0 383.297 2.097 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479454079 650603952 /nfs/dbraw/zinc/60/39/52/650603952.db2.gz PQJZHGCFODTUCJ-UONOGXRCSA-N 1 0 378.336 2.371 20 0 GEADRO C[C@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000518398189 650604669 /nfs/dbraw/zinc/60/46/69/650604669.db2.gz WHQGMCWYRYBPHY-QMMMGPOBSA-N 1 0 394.672 2.038 20 0 GEADRO CC(C)CCNS(=O)(=O)c1ccc(NC[C@@]2([NH+](C)C)CCSC2)nc1 ZINC000479479597 650604689 /nfs/dbraw/zinc/60/46/89/650604689.db2.gz ZIJSKRPSDWLMKJ-KRWDZBQOSA-N 1 0 386.587 2.255 20 0 GEADRO C[NH+](C)[C@]1(CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CCSC1 ZINC000479480242 650604761 /nfs/dbraw/zinc/60/47/61/650604761.db2.gz NETJYOKKBHNEHB-ZDUSSCGKSA-N 1 0 383.461 2.202 20 0 GEADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000518756320 650607278 /nfs/dbraw/zinc/60/72/78/650607278.db2.gz AEXXCRLGYOSWPH-AAEUAGOBSA-N 1 0 383.286 2.397 20 0 GEADRO C[N@H+](CC(=O)NCCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCSC1 ZINC000479761791 650609481 /nfs/dbraw/zinc/60/94/81/650609481.db2.gz CQKHPEBHPBWISJ-ZDUSSCGKSA-N 1 0 377.432 2.119 20 0 GEADRO CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)C1(C)C ZINC000519733786 650612050 /nfs/dbraw/zinc/61/20/50/650612050.db2.gz WZCHYUOILXRNRT-GVDBMIGSSA-N 1 0 375.579 2.077 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479940243 650612953 /nfs/dbraw/zinc/61/29/53/650612953.db2.gz KURNDSCLUBYVLV-GASCZTMLSA-N 1 0 397.313 2.351 20 0 GEADRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000520588030 650614993 /nfs/dbraw/zinc/61/49/93/650614993.db2.gz BVVIWRIOFBMMTG-FUHWJXTLSA-N 1 0 378.314 2.093 20 0 GEADRO Cc1c(Br)cccc1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000480031356 650615037 /nfs/dbraw/zinc/61/50/37/650615037.db2.gz WMXSGACSSITCPX-OAHLLOKOSA-N 1 0 396.329 2.004 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N(C)CC[NH+](C)C ZINC000480081477 650615562 /nfs/dbraw/zinc/61/55/62/650615562.db2.gz FUHDUQKTGDWCPK-HNNXBMFYSA-N 1 0 384.318 2.224 20 0 GEADRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480194924 650617576 /nfs/dbraw/zinc/61/75/76/650617576.db2.gz IGJHPOMQATTZPA-REWMRKHYSA-N 1 0 394.356 2.414 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000521943654 650620388 /nfs/dbraw/zinc/62/03/88/650620388.db2.gz JXZKNMNDPPXVRK-IRXDYDNUSA-N 1 0 391.940 2.486 20 0 GEADRO COC1(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCCCC1 ZINC000480350741 650620650 /nfs/dbraw/zinc/62/06/50/650620650.db2.gz DAEXIENLPFZQKC-UHFFFAOYSA-N 1 0 388.555 2.208 20 0 GEADRO Cc1nnc([C@@H]2CC[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)[nH]1 ZINC000521980052 650620801 /nfs/dbraw/zinc/62/08/01/650620801.db2.gz YLYJIDLFPYOSKI-RISCZKNCSA-N 1 0 399.264 2.244 20 0 GEADRO CC[NH+]1CCN(CC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)CC1 ZINC000480440021 650621879 /nfs/dbraw/zinc/62/18/79/650621879.db2.gz APKBMNXEOKXDNT-SJLPKXTDSA-N 1 0 386.323 2.047 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c(Br)c1 ZINC000480470099 650622837 /nfs/dbraw/zinc/62/28/37/650622837.db2.gz NSCKMBLNUMSNGZ-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000480721010 650629240 /nfs/dbraw/zinc/62/92/40/650629240.db2.gz UOVAELCTIQDMLV-KBPBESRZSA-N 1 0 382.473 2.458 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000480848749 650634593 /nfs/dbraw/zinc/63/45/93/650634593.db2.gz VAULCQIRDCHYQH-YMTOWFKASA-N 1 0 377.279 2.349 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2ccccc2CSc2nc[nH]n2)CCSC1 ZINC000481208761 650640923 /nfs/dbraw/zinc/64/09/23/650640923.db2.gz YKLFHTDZYILIOY-KRWDZBQOSA-N 1 0 377.539 2.264 20 0 GEADRO Cc1cc(Br)ccc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000524419653 650640940 /nfs/dbraw/zinc/64/09/40/650640940.db2.gz VUHNCYRFPQVEQZ-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)N1CCc2sccc2C1 ZINC000481290013 650643886 /nfs/dbraw/zinc/64/38/86/650643886.db2.gz JBHRXOIRRNZFNT-KSSFIOAISA-N 1 0 382.599 2.231 20 0 GEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)c[nH]1 ZINC000524715624 650645224 /nfs/dbraw/zinc/64/52/24/650645224.db2.gz YVDLUBQTXIQCNV-KRWDZBQOSA-N 1 0 378.270 2.144 20 0 GEADRO CS[C@H](CO)[C@@H](C)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000524801198 650646556 /nfs/dbraw/zinc/64/65/56/650646556.db2.gz DIYBWMXXYYMDPA-HUUCEWRRSA-N 1 0 375.604 2.150 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000524970236 650648892 /nfs/dbraw/zinc/64/88/92/650648892.db2.gz UOEZPKARYZWWSV-ZIAGYGMSSA-N 1 0 381.318 2.366 20 0 GEADRO CC(C)(CNC(=O)CNC(=O)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000481555760 650648999 /nfs/dbraw/zinc/64/89/99/650648999.db2.gz GDACIRAYUUPIOH-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1Br ZINC000525820156 650658105 /nfs/dbraw/zinc/65/81/05/650658105.db2.gz XEGBDFITUSZXLW-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)C[C@@H]1[NH+]1CCCC1 ZINC000525835690 650658239 /nfs/dbraw/zinc/65/82/39/650658239.db2.gz NKXVFSZGYJTBLC-HOTGVXAUSA-N 1 0 386.587 2.281 20 0 GEADRO O=C1NCCN1[C@@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000525833734 650658314 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O=C1NC(=O)C2(CCC([NH2+]Cc3cc(F)c(Br)cc3F)CC2)N1 ZINC000527977929 650684019 /nfs/dbraw/zinc/68/40/19/650684019.db2.gz DGQLHUYYEQTERK-UHFFFAOYSA-N 1 0 388.212 2.338 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000527981248 650684066 /nfs/dbraw/zinc/68/40/66/650684066.db2.gz NLNSGJZOVPYEKQ-CYBMUJFWSA-N 1 0 384.322 2.389 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000484041090 650684665 /nfs/dbraw/zinc/68/46/65/650684665.db2.gz JMKMRVSRGBYPRY-JTQLQIEISA-N 1 0 394.191 2.260 20 0 GEADRO CCOC[C@H](O)C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000484153389 650685423 /nfs/dbraw/zinc/68/54/23/650685423.db2.gz ARCZCKYCQBVOTA-XHDPSFHLSA-N 1 0 383.290 2.386 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000484135159 650685428 /nfs/dbraw/zinc/68/54/28/650685428.db2.gz FPKWYGAHRLDPRF-VXGBXAGGSA-N 1 0 383.290 2.156 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)C(C)C ZINC000485082610 650693034 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O=C(NCCC[NH+]1CCCC1)N(CCO)Cc1cccc(Br)c1 ZINC000486051913 650706604 /nfs/dbraw/zinc/70/66/04/650706604.db2.gz HZFJEDSFUOUOAF-UHFFFAOYSA-N 1 0 384.318 2.439 20 0 GEADRO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1cc(F)c(Br)cc1F ZINC000529755318 650706840 /nfs/dbraw/zinc/70/68/40/650706840.db2.gz ZBOWRNIZTKHHMV-ZUZCIYMTSA-N 1 0 388.256 2.294 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Cc2ccc(F)cc2Br)CC1 ZINC000486213000 650709106 /nfs/dbraw/zinc/70/91/06/650709106.db2.gz WQKXMAHOEMJOCE-HNNXBMFYSA-N 1 0 387.293 2.340 20 0 GEADRO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(=O)n1C ZINC000530026816 650710591 /nfs/dbraw/zinc/71/05/91/650710591.db2.gz JNGWAXUDWLCYTF-CYBMUJFWSA-N 1 0 382.302 2.203 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C(C)(C)C1 ZINC000486455248 650714191 /nfs/dbraw/zinc/71/41/91/650714191.db2.gz AUCCGIRLAIXIPB-CYBMUJFWSA-N 1 0 380.286 2.428 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1nc2ccc(Br)cn2n1 ZINC000530196148 650717728 /nfs/dbraw/zinc/71/77/28/650717728.db2.gz PVAILDAKEHWGSH-ZDUSSCGKSA-N 1 0 378.274 2.239 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1I ZINC000530229275 650719001 /nfs/dbraw/zinc/71/90/01/650719001.db2.gz DUISDPDPFIGGQU-AWEZNQCLSA-N 1 0 387.265 2.160 20 0 GEADRO C[C@@H](c1ccccc1Br)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530224677 650719101 /nfs/dbraw/zinc/71/91/01/650719101.db2.gz UZGYTFGTVDQBLU-AWEZNQCLSA-N 1 0 381.318 2.153 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000486901440 650724790 /nfs/dbraw/zinc/72/47/90/650724790.db2.gz JFPNVBIBRZHNDT-CQDKDKBSSA-N 1 0 383.286 2.319 20 0 GEADRO C[C@@H](C[NH2+]Cc1c(Br)cnn1C)N1CCN(c2ccccc2)CC1 ZINC000486981009 650726457 /nfs/dbraw/zinc/72/64/57/650726457.db2.gz LVLWISBIZGHGCZ-HNNXBMFYSA-N 1 0 392.345 2.483 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1csc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000531306455 650736480 /nfs/dbraw/zinc/73/64/80/650736480.db2.gz WOLANYPEWLOOOU-CYBMUJFWSA-N 1 0 387.914 2.082 20 0 GEADRO C[C@H]1Cc2cc(S(=O)(=O)NC[C@]3([NH+](C)C)CCSC3)cc(Cl)c2O1 ZINC000530891244 650730377 /nfs/dbraw/zinc/73/03/77/650730377.db2.gz FHIJQBVAPMCTEJ-MEDUHNTESA-N 1 0 390.958 2.379 20 0 GEADRO CNC(=O)CCOC1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000530975960 650732280 /nfs/dbraw/zinc/73/22/80/650732280.db2.gz RUANKZJBQHNFDR-UHFFFAOYSA-N 1 0 399.285 2.295 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2cc(Cl)cs2)c1 ZINC000487305963 650732527 /nfs/dbraw/zinc/73/25/27/650732527.db2.gz WMWFCCSBLZAOGM-JTQLQIEISA-N 1 0 387.914 2.426 20 0 GEADRO COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000531395752 650738053 /nfs/dbraw/zinc/73/80/53/650738053.db2.gz HYENYPOUJBCTFS-ZDUSSCGKSA-N 1 0 383.286 2.252 20 0 GEADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000531651223 650741790 /nfs/dbraw/zinc/74/17/90/650741790.db2.gz CGGWKDRSPOQOLY-IAGOWNOFSA-N 1 0 375.579 2.063 20 0 GEADRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000531688944 650742763 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20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CSc1nnnn1C1CCCC1)c1ccsc1 ZINC000025815849 642427958 /nfs/dbraw/zinc/42/79/58/642427958.db2.gz AJQPLKJKLZYWON-AWEZNQCLSA-N 1 0 380.543 2.361 20 0 GEADRO C[C@@H](CNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)[N@H+](C)C1CC1 ZINC000488824707 650750979 /nfs/dbraw/zinc/75/09/79/650750979.db2.gz XXZBPMLFHIQPJF-BONVTDFDSA-N 1 0 388.281 2.404 20 0 GEADRO C[N@H+](CCOc1ccc(Br)cc1)CCN1C(=O)NC(C)(C)C1=O ZINC000028081582 642444663 /nfs/dbraw/zinc/44/46/63/642444663.db2.gz RQQOHRVYYWUVQB-UHFFFAOYSA-N 1 0 384.274 2.090 20 0 GEADRO CNC(=O)c1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000028920213 642454746 /nfs/dbraw/zinc/45/47/46/642454746.db2.gz KIKRJKDZQFSTAD-INIZCTEOSA-N 1 0 393.281 2.338 20 0 GEADRO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000533033745 650755774 /nfs/dbraw/zinc/75/57/74/650755774.db2.gz KZMPJRFAUMKHNI-OLZOCXBDSA-N 1 0 388.295 2.223 20 0 GEADRO COc1ccc(Br)cc1C[N@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000533079955 650756546 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O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc(Br)cc1F ZINC000041890462 642535333 /nfs/dbraw/zinc/53/53/33/642535333.db2.gz OZWVMOSXFKCNAE-JTQLQIEISA-N 1 0 384.249 2.127 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000041913875 642535582 /nfs/dbraw/zinc/53/55/82/642535582.db2.gz YMPDZSOJXIMEAW-GFCCVEGCSA-N 1 0 375.922 2.050 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cncc(I)c2)C1 ZINC000533845687 650766734 /nfs/dbraw/zinc/76/67/34/650766734.db2.gz IEKMZPLRXMSBCV-ZDUSSCGKSA-N 1 0 399.276 2.490 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000490043234 650766809 /nfs/dbraw/zinc/76/68/09/650766809.db2.gz BDVIJFWIECSVNG-CHWSQXEVSA-N 1 0 378.922 2.230 20 0 GEADRO CC[NH+]1CCN([C@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000042242961 642546847 /nfs/dbraw/zinc/54/68/47/642546847.db2.gz KZHXUGPVDMBZFZ-GFCCVEGCSA-N 1 0 387.265 2.256 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000042741855 642556335 /nfs/dbraw/zinc/55/63/35/642556335.db2.gz LJLYRRHTGKFEAT-UHFFFAOYSA-N 1 0 375.416 2.145 20 0 GEADRO COC(=O)C1(CS(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)CCCCC1 ZINC000489652690 650760878 /nfs/dbraw/zinc/76/08/78/650760878.db2.gz WDAMWFRRXPSOGL-UHFFFAOYSA-N 1 0 376.563 2.490 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N(C)CC[NH+](C)C ZINC000489715462 650762695 /nfs/dbraw/zinc/76/26/95/650762695.db2.gz MQFGFOXMJKCMJL-UHFFFAOYSA-N 1 0 376.226 2.400 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000490054896 650767266 /nfs/dbraw/zinc/76/72/66/650767266.db2.gz OWGXCWRHJWDCCZ-SECBINFHSA-N 1 0 383.297 2.256 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CC[NH+](C2CCCC2)CC1 ZINC000045084835 642588442 /nfs/dbraw/zinc/58/84/42/642588442.db2.gz YESNPAFUMSRLOL-UHFFFAOYSA-N 1 0 377.539 2.382 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000045676169 642594240 /nfs/dbraw/zinc/59/42/40/642594240.db2.gz PSUNDKJTFJPYRS-OAHLLOKOSA-N 1 0 387.571 2.036 20 0 GEADRO 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[NH3+]C1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCCC1 ZINC000156547155 644102827 /nfs/dbraw/zinc/10/28/27/644102827.db2.gz UQZCTKZQICLCMZ-UHFFFAOYSA-N 1 0 394.313 2.395 20 0 GEADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000156579676 644104558 /nfs/dbraw/zinc/10/45/58/644104558.db2.gz MAMMZLQFSVUBFR-HNNXBMFYSA-N 1 0 396.329 2.208 20 0 GEADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000156618143 644108264 /nfs/dbraw/zinc/10/82/64/644108264.db2.gz TYYSBEHDRCFEMT-SNVBAGLBSA-N 1 0 397.722 2.484 20 0 GEADRO C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H]1C[NH3+] ZINC000156648997 644110089 /nfs/dbraw/zinc/11/00/89/644110089.db2.gz KTAJNSAAGMFMBY-XJKCOSOUSA-N 1 0 394.313 2.388 20 0 GEADRO C[C@@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)N1CC[NH+](C)CC1 ZINC000156762295 644115737 /nfs/dbraw/zinc/11/57/37/644115737.db2.gz DDPSMSBAHYUQNA-LBPRGKRZSA-N 1 0 380.341 2.049 20 0 GEADRO O=C(Cc1cccc(I)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000156806313 644118601 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C[NH2+]C[C@@H]1CCCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000158893628 644165670 /nfs/dbraw/zinc/16/56/70/644165670.db2.gz SFNIYIIZBSAZJM-NSHDSACASA-N 1 0 398.248 2.011 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000158918829 644167588 /nfs/dbraw/zinc/16/75/88/644167588.db2.gz WUWQVVVVJPWIPS-NSHDSACASA-N 1 0 398.248 2.011 20 0 GEADRO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159213590 644180967 /nfs/dbraw/zinc/18/09/67/644180967.db2.gz FAEUKVLMWOJYJV-IJEWVQPXSA-N 1 0 392.297 2.155 20 0 GEADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159233065 644182141 /nfs/dbraw/zinc/18/21/41/644182141.db2.gz GBBZOKRUCCHIOI-AWEZNQCLSA-N 1 0 392.187 2.395 20 0 GEADRO COCC[NH+]1CCC(NC(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000159343280 644188215 /nfs/dbraw/zinc/18/82/15/644188215.db2.gz JYNFFEZSHBNAMR-UHFFFAOYSA-N 1 0 385.302 2.227 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1F ZINC000543104220 650899696 /nfs/dbraw/zinc/89/96/96/650899696.db2.gz YLDBEMQUNOOLSW-NWDGAFQWSA-N 1 0 377.279 2.493 20 0 GEADRO CCN(C(=O)[C@@H](C)SCC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000161039387 644207625 /nfs/dbraw/zinc/20/76/25/644207625.db2.gz AGUTZHIQXVRBHA-CVEARBPZSA-N 1 0 378.604 2.263 20 0 GEADRO C[C@@H]1CN(C(C)(C)C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000161866628 644223642 /nfs/dbraw/zinc/22/36/42/644223642.db2.gz PHPFCDBKQISJHW-ZENOOKHLSA-N 1 0 398.345 2.453 20 0 GEADRO CC(C)C[C@@H](C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)N1CCOCC1 ZINC000161873687 644223822 /nfs/dbraw/zinc/22/38/22/644223822.db2.gz YTKWAEBFBJNHLP-IRXDYDNUSA-N 1 0 398.345 2.312 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000161955381 644226776 /nfs/dbraw/zinc/22/67/76/644226776.db2.gz YDDJIXUCIQHCPB-VXGBXAGGSA-N 1 0 386.265 2.094 20 0 GEADRO C[N@H+](CCO)C1CCN(C(=O)NCc2ccc(Br)s2)CC1 ZINC000162017840 644229021 /nfs/dbraw/zinc/22/90/21/644229021.db2.gz GZMWSPZKBUJGFJ-UHFFFAOYSA-N 1 0 376.320 2.109 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1F ZINC000162068561 644231012 /nfs/dbraw/zinc/23/10/12/644231012.db2.gz QENWJAVEIOJIGW-VXGBXAGGSA-N 1 0 377.279 2.493 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000162389479 644235979 /nfs/dbraw/zinc/23/59/79/644235979.db2.gz ZTCWFUVVPCMZPZ-SWLSCSKDSA-N 1 0 382.917 2.181 20 0 GEADRO Cn1c(C(=O)N2CCN(C)C[C@H]2C[NH3+])ccc1-c1ccc(Br)cc1 ZINC000162424431 644237411 /nfs/dbraw/zinc/23/74/11/644237411.db2.gz YYLRCGAYKCTSKN-OAHLLOKOSA-N 1 0 391.313 2.170 20 0 GEADRO CCOC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000163172866 644251467 /nfs/dbraw/zinc/25/14/67/644251467.db2.gz KLLKBRKRYIYCED-INIZCTEOSA-N 1 0 385.302 2.497 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C(C)(C)C ZINC000163443529 644256874 /nfs/dbraw/zinc/25/68/74/644256874.db2.gz RZYOFNJIGHYULX-ZDUSSCGKSA-N 1 0 393.912 2.223 20 0 GEADRO COC(=O)[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000543308902 650906447 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C[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2NS(C)(=O)=O)CC1 ZINC000172782894 644343479 /nfs/dbraw/zinc/34/34/79/644343479.db2.gz QLUIXYJFLXRTOB-UHFFFAOYSA-N 1 0 379.404 2.357 20 0 GEADRO COC[C@@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C(C)C ZINC000543455119 650912376 /nfs/dbraw/zinc/91/23/76/650912376.db2.gz RBIAJQMVNONMSC-OAHLLOKOSA-N 1 0 389.327 2.298 20 0 GEADRO C[C@@H](CNC(=O)COc1ccc(C=O)cc1Br)C[NH+]1CCCC1 ZINC000173630924 644360030 /nfs/dbraw/zinc/36/00/30/644360030.db2.gz ZKEBVDRLKHMVKO-ZDUSSCGKSA-N 1 0 383.286 2.489 20 0 GEADRO CN(C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000174286329 644372263 /nfs/dbraw/zinc/37/22/63/644372263.db2.gz KEABFBZVESTOBX-AWEZNQCLSA-N 1 0 379.917 2.440 20 0 GEADRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000543619407 650915789 /nfs/dbraw/zinc/91/57/89/650915789.db2.gz FDFMWQNISAHIHS-MRXNPFEDSA-N 1 0 384.274 2.463 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ncc(I)n2c1 ZINC000175791539 644393633 /nfs/dbraw/zinc/39/36/33/644393633.db2.gz YFOFMEVYSSHARF-LBPRGKRZSA-N 1 0 398.248 2.153 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000176073608 644396990 /nfs/dbraw/zinc/39/69/90/644396990.db2.gz WCVLKVKXNPMQIK-UHFFFAOYSA-N 1 0 389.949 2.487 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000176310866 644401657 /nfs/dbraw/zinc/40/16/57/644401657.db2.gz IOYREFHIBXWWAE-UHFFFAOYSA-N 1 0 389.949 2.250 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000176795419 644405440 /nfs/dbraw/zinc/40/54/40/644405440.db2.gz LIIIUPUEPVQEJP-UHFFFAOYSA-N 1 0 380.491 2.171 20 0 GEADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CSCCS3)cc2)CC1 ZINC000176987679 644407877 /nfs/dbraw/zinc/40/78/77/644407877.db2.gz FKFKHMJLPVVITD-GOSISDBHSA-N 1 0 379.595 2.289 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000543673859 650918455 /nfs/dbraw/zinc/91/84/55/650918455.db2.gz ZNALZLUXJDCUDE-CYBMUJFWSA-N 1 0 389.315 2.099 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccnn2C)c1 ZINC000177558288 644417946 /nfs/dbraw/zinc/41/79/46/644417946.db2.gz DYYBNTLHIYNNKD-UHFFFAOYSA-N 1 0 381.274 2.101 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000543675958 650919176 /nfs/dbraw/zinc/91/91/76/650919176.db2.gz KIGRQOXARLPSJM-LBPRGKRZSA-N 1 0 388.917 2.477 20 0 GEADRO C[NH+]=C(NCc1ccco1)NC[C@@H](O)COc1ccccc1Br ZINC000178022944 644428454 /nfs/dbraw/zinc/42/84/54/644428454.db2.gz SAQDGSJTWRVLLY-GFCCVEGCSA-N 1 0 382.258 2.147 20 0 GEADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000178905744 644443694 /nfs/dbraw/zinc/44/36/94/644443694.db2.gz NGXDFYKYWCTQRJ-QMMMGPOBSA-N 1 0 387.221 2.437 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000178934630 644445314 /nfs/dbraw/zinc/44/53/14/644445314.db2.gz NPHDXXSQKRIWFM-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Br)C1 ZINC000178941853 644445902 /nfs/dbraw/zinc/44/59/02/644445902.db2.gz CRVHHFSDPIITGE-SECBINFHSA-N 1 0 397.722 2.341 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000178965024 644447750 /nfs/dbraw/zinc/44/77/50/644447750.db2.gz RTJTZFPXBXSHNH-WCBMZHEXSA-N 1 0 382.711 2.293 20 0 GEADRO O=C(Nc1cncc(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000179049668 644450857 /nfs/dbraw/zinc/45/08/57/644450857.db2.gz AAERNBPSTGEDIL-UHFFFAOYSA-N 1 0 383.290 2.420 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2COc3ccc(Br)cc32)C1 ZINC000179363766 644457656 /nfs/dbraw/zinc/45/76/56/644457656.db2.gz GFIRYCVBSVDWEF-GOEBONIOSA-N 1 0 397.313 2.398 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cccnc1Br)C(C)(C)C ZINC000179720353 644471212 /nfs/dbraw/zinc/47/12/12/644471212.db2.gz GUSBHAVMCPPBMN-LBPRGKRZSA-N 1 0 385.306 2.265 20 0 GEADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000180330544 644500769 /nfs/dbraw/zinc/50/07/69/644500769.db2.gz UKUPJRBEODAVDY-UHFFFAOYSA-N 1 0 391.331 2.361 20 0 GEADRO O=C(CCNC(=O)c1cc(F)ccc1Br)NNc1cc[nH+]cc1 ZINC000180536361 644505785 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Cc1nc(Br)ccc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000181347302 644531512 /nfs/dbraw/zinc/53/15/12/644531512.db2.gz XCZOFKDCHPNJGD-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000543961635 650929216 /nfs/dbraw/zinc/92/92/16/650929216.db2.gz OLLCIMFESICJQJ-UHFFFAOYSA-N 1 0 384.274 2.194 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181478641 644537829 /nfs/dbraw/zinc/53/78/29/644537829.db2.gz LWGYMGQZVXPVRW-GFCCVEGCSA-N 1 0 384.318 2.319 20 0 GEADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000181479626 644537951 /nfs/dbraw/zinc/53/79/51/644537951.db2.gz JVOINTBTFBBXHA-QGZVFWFLSA-N 1 0 380.897 2.385 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000544026044 650931122 /nfs/dbraw/zinc/93/11/22/650931122.db2.gz ZEKYXRXOAMXKLH-RHSMWYFYSA-N 1 0 397.313 2.317 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000544115955 650934541 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WKRFEXLJZWAIPN-UHFFFAOYSA-N 1 0 388.331 2.135 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000186767753 645075484 /nfs/dbraw/zinc/07/54/84/645075484.db2.gz SGJDONHRBLRGOA-UHFFFAOYSA-N 1 0 378.270 2.457 20 0 GEADRO C[N@H+](CC(=O)Nc1ccc(Br)cc1F)CC1(O)CCOCC1 ZINC000187061160 645082287 /nfs/dbraw/zinc/08/22/87/645082287.db2.gz XKMWBMSGXZZTLA-UHFFFAOYSA-N 1 0 375.238 2.000 20 0 GEADRO O[C@H](CN1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000187132222 645083725 /nfs/dbraw/zinc/08/37/25/645083725.db2.gz QLTHKZHLGUYTFH-SUMWQHHRSA-N 1 0 387.293 2.276 20 0 GEADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)C1 ZINC000187968902 645101435 /nfs/dbraw/zinc/10/14/35/645101435.db2.gz JNRHZYFXDPCIEN-RRQGHBQHSA-N 1 0 396.329 2.031 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000187981313 645103432 /nfs/dbraw/zinc/10/34/32/645103432.db2.gz PPRHFMRIACPVRA-UHFFFAOYSA-N 1 0 398.331 2.391 20 0 GEADRO COc1ccc(C(=O)N2CC[NH+]3CCC2CC3)c(I)c1 ZINC000188626599 645122465 /nfs/dbraw/zinc/12/24/65/645122465.db2.gz YRSISHYTIKSPDT-UHFFFAOYSA-N 1 0 386.233 2.220 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000545863858 650982375 /nfs/dbraw/zinc/98/23/75/650982375.db2.gz MXOULSWVYHKXSE-UHFFFAOYSA-N 1 0 384.249 2.295 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000545861241 650982423 /nfs/dbraw/zinc/98/24/23/650982423.db2.gz FGQHSBDHHNUHET-ZDUSSCGKSA-N 1 0 381.192 2.264 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000190310784 645150761 /nfs/dbraw/zinc/15/07/61/645150761.db2.gz KFSGWRDSQYNOSI-AWEZNQCLSA-N 1 0 388.555 2.489 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 ZINC000545879802 650983672 /nfs/dbraw/zinc/98/36/72/650983672.db2.gz VBHQFVFWUSQMNX-OAHLLOKOSA-N 1 0 386.677 2.380 20 0 GEADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(OC)ccc2Cl)C1 ZINC000190377046 645155586 /nfs/dbraw/zinc/15/55/86/645155586.db2.gz CKTVXQLFSYRJTK-INIZCTEOSA-N 1 0 390.933 2.221 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000192583654 645212402 /nfs/dbraw/zinc/21/24/02/645212402.db2.gz ILIWGKIAMKHWAT-LLVKDONJSA-N 1 0 398.276 2.436 20 0 GEADRO CN(C(=O)COc1cccc(I)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000192604003 645213826 /nfs/dbraw/zinc/21/38/26/645213826.db2.gz CSRUDUGFNYCLKQ-CYBMUJFWSA-N 1 0 388.249 2.223 20 0 GEADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CSCCS2)CC1 ZINC000192625470 645215744 /nfs/dbraw/zinc/21/57/44/645215744.db2.gz BDAHBUFZBQYIJE-GOSISDBHSA-N 1 0 379.595 2.289 20 0 GEADRO C[NH+](C)CCCN(C(=O)/C=C/c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000192748979 645223351 /nfs/dbraw/zinc/22/33/51/645223351.db2.gz DOLZSZFKSLLXTD-FDMDGMSGSA-N 1 0 384.929 2.321 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1Br ZINC000192923012 645230402 /nfs/dbraw/zinc/23/04/02/645230402.db2.gz AZWLJXKNGUFCEI-NWDGAFQWSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000193035151 645236039 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CC[NH2+]CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000193255602 645256566 /nfs/dbraw/zinc/25/65/66/645256566.db2.gz QZEUBMKDCRBALS-UHFFFAOYSA-N 1 0 375.210 2.356 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000193260930 645257366 /nfs/dbraw/zinc/25/73/66/645257366.db2.gz RXZLMLYRZUKMET-SECBINFHSA-N 1 0 395.294 2.345 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193264498 645257693 /nfs/dbraw/zinc/25/76/93/645257693.db2.gz CINSCIGTZMTEPH-CYBMUJFWSA-N 1 0 389.315 2.147 20 0 GEADRO [NH3+][C@H](CNS(=O)(=O)c1cc(Br)cc2c1OCC2)c1ccccc1 ZINC000193263334 645257992 /nfs/dbraw/zinc/25/79/92/645257992.db2.gz SKCXVGCCYVXBMP-CQSZACIVSA-N 1 0 397.294 2.362 20 0 GEADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000193269245 645258377 /nfs/dbraw/zinc/25/83/77/645258377.db2.gz CSQUAHIPKPIJLA-VIFPVBQESA-N 1 0 387.221 2.450 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000193276155 645259654 /nfs/dbraw/zinc/25/96/54/645259654.db2.gz FCXSXKRWJZKGHW-UHFFFAOYSA-N 1 0 395.319 2.262 20 0 GEADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193280597 645260087 /nfs/dbraw/zinc/26/00/87/645260087.db2.gz VYUXEFAWBFMKKM-OCCSQVGLSA-N 1 0 376.906 2.256 20 0 GEADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000193280293 645260452 /nfs/dbraw/zinc/26/04/52/645260452.db2.gz VHVWCIMRACWMFU-ZETCQYMHSA-N 1 0 375.210 2.436 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)ccc1Br ZINC000193286903 645262210 /nfs/dbraw/zinc/26/22/10/645262210.db2.gz HUNHSDJDHQNVQS-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193292551 645262774 /nfs/dbraw/zinc/26/27/74/645262774.db2.gz JATDVRJLKDAYST-YPMHNXCESA-N 1 0 389.315 2.180 20 0 GEADRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000193299149 645264033 /nfs/dbraw/zinc/26/40/33/645264033.db2.gz GSOXAYGHCYTIAZ-UHFFFAOYSA-N 1 0 392.319 2.203 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc2c1OCC2 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OXEPXWZCKYWDQT-UHFFFAOYSA-N 1 0 377.304 2.078 20 0 GEADRO C[NH2+]CCN(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000237373485 645429611 /nfs/dbraw/zinc/42/96/11/645429611.db2.gz MJNSKKMIEAQBGK-UHFFFAOYSA-N 1 0 377.286 2.415 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000237381038 645429738 /nfs/dbraw/zinc/42/97/38/645429738.db2.gz WGDSLUPTDUGFMY-WBMJQRKESA-N 1 0 385.917 2.222 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000237399585 645430518 /nfs/dbraw/zinc/43/05/18/645430518.db2.gz IRDVWSIWOIEPNO-SKDRFNHKSA-N 1 0 392.275 2.248 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C3([NH3+])CCCC3)n2)cc1 ZINC000237413507 645431177 /nfs/dbraw/zinc/43/11/77/645431177.db2.gz ZZUJMWYWWMTJGU-UHFFFAOYSA-N 1 0 380.495 2.392 20 0 GEADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000237432579 645431851 /nfs/dbraw/zinc/43/18/51/645431851.db2.gz JYESKARUJNOAQZ-NEPJUHHUSA-N 1 0 388.295 2.074 20 0 GEADRO 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Cc1cccc(NC(=O)CSCC(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000267110428 645882921 /nfs/dbraw/zinc/88/29/21/645882921.db2.gz NHBAXYGFRVOWEA-GOSISDBHSA-N 1 0 381.567 2.220 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000267297603 645896321 /nfs/dbraw/zinc/89/63/21/645896321.db2.gz TZBRDZPSBSKWCH-ZFWWWQNUSA-N 1 0 382.917 2.262 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCSC2)cc1Cl ZINC000267308031 645897293 /nfs/dbraw/zinc/89/72/93/645897293.db2.gz LGEUJWWESLTNNP-CYBMUJFWSA-N 1 0 385.917 2.231 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000267909899 645933918 /nfs/dbraw/zinc/93/39/18/645933918.db2.gz OCEGMIZIKTXTNL-CYBMUJFWSA-N 1 0 387.933 2.473 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000268129435 645946481 /nfs/dbraw/zinc/94/64/81/645946481.db2.gz CCYPUGDXWKNVCA-LKFCYVNXSA-N 1 0 384.249 2.126 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccnc(Br)c3)nc2)CC1 ZINC000268167004 645950088 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C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268840395 645999242 /nfs/dbraw/zinc/99/92/42/645999242.db2.gz CLMFQXWIHITANJ-CYBMUJFWSA-N 1 0 376.469 2.444 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000268839303 645999307 /nfs/dbraw/zinc/99/93/07/645999307.db2.gz FBWOWFZRNXOXRL-OAHLLOKOSA-N 1 0 382.302 2.026 20 0 GEADRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000268859152 646000777 /nfs/dbraw/zinc/00/07/77/646000777.db2.gz CZDWOJKDPBTTCP-ZBEGNZNMSA-N 1 0 381.441 2.130 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000268962925 646010630 /nfs/dbraw/zinc/01/06/30/646010630.db2.gz XROKZEMZSBKSDN-XJKSGUPXSA-N 1 0 383.334 2.002 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000269054148 646012789 /nfs/dbraw/zinc/01/27/89/646012789.db2.gz RKCKQUSQGBYWGF-SECBINFHSA-N 1 0 381.811 2.098 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000269105890 646015796 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C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000269520741 646045235 /nfs/dbraw/zinc/04/52/35/646045235.db2.gz SWDBMFIVJSWLOD-VIFPVBQESA-N 1 0 376.682 2.497 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269521762 646045240 /nfs/dbraw/zinc/04/52/40/646045240.db2.gz SFRYGUVLJAMINR-DOMZBBRYSA-N 1 0 384.523 2.172 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cc(F)cc(Cl)c1 ZINC000270247232 646096691 /nfs/dbraw/zinc/09/66/91/646096691.db2.gz XMRCNNWOJBZSRY-UHFFFAOYSA-N 1 0 376.881 2.402 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCCC(=O)N1 ZINC000270340556 646104597 /nfs/dbraw/zinc/10/45/97/646104597.db2.gz KXAQGRZZCDIJEY-OAHLLOKOSA-N 1 0 382.302 2.008 20 0 GEADRO NC(=O)[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(Br)c1 ZINC000270578838 646121230 /nfs/dbraw/zinc/12/12/30/646121230.db2.gz FCCBHLDPQKSDBY-MRXNPFEDSA-N 1 0 396.329 2.210 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000270916885 646152374 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ZINC000348698231 647497837 /nfs/dbraw/zinc/49/78/37/647497837.db2.gz OZLAXFWIAXHVJT-QOZQQMKHSA-N 1 0 377.432 2.219 20 0 GEADRO COCCC[N@H+](C)CCN1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O ZINC000349415803 647504322 /nfs/dbraw/zinc/50/43/22/647504322.db2.gz APANLSGRZFUXQJ-OAHLLOKOSA-N 1 0 398.301 2.353 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000360400094 647556195 /nfs/dbraw/zinc/55/61/95/647556195.db2.gz HDFLERWWGOVZBV-QWHCGFSZSA-N 1 0 376.881 2.089 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000360321848 647556415 /nfs/dbraw/zinc/55/64/15/647556415.db2.gz GHKFMHSYMBCPQW-IAGOWNOFSA-N 1 0 396.329 2.227 20 0 GEADRO O=C(CSc1cccc(Br)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000361071329 647559655 /nfs/dbraw/zinc/55/96/55/647559655.db2.gz USGQDFYBEPFIRM-CQSZACIVSA-N 1 0 385.327 2.474 20 0 GEADRO C[NH+](C)[C@]1(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CCCSC1 ZINC000361788895 647564445 /nfs/dbraw/zinc/56/44/45/647564445.db2.gz NUHVANAQEMOPFO-MAUKXSAKSA-N 1 0 383.583 2.065 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000362337724 647569767 /nfs/dbraw/zinc/56/97/67/647569767.db2.gz XMBBKDDEEUEBCF-OAHLLOKOSA-N 1 0 385.961 2.437 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363256390 647589108 /nfs/dbraw/zinc/58/91/08/647589108.db2.gz KCXKALJUDXIGAA-SRVKXCTJSA-N 1 0 390.477 2.301 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363269498 647590194 /nfs/dbraw/zinc/59/01/94/647590194.db2.gz HGTJHHXNMJUBOC-MNOVXSKESA-N 1 0 389.315 2.421 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc(Br)c1O ZINC000363366063 647592509 /nfs/dbraw/zinc/59/25/09/647592509.db2.gz XJQGXJTUNZJNHJ-LBPRGKRZSA-N 1 0 381.274 2.265 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363390732 647594176 /nfs/dbraw/zinc/59/41/76/647594176.db2.gz VSINMNLASLOSJC-HOTGVXAUSA-N 1 0 382.302 2.454 20 0 GEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(Br)cc3)C2)CC1 ZINC000363408629 647594943 /nfs/dbraw/zinc/59/49/43/647594943.db2.gz FNELIJSIPQTMAB-MRXNPFEDSA-N 1 0 395.345 2.417 20 0 GEADRO COCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000363633758 647603883 /nfs/dbraw/zinc/60/38/83/647603883.db2.gz HKRMYTSMFPQWNU-UHFFFAOYSA-N 1 0 376.906 2.082 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1c(F)cccc1Cl ZINC000364074840 647618123 /nfs/dbraw/zinc/61/81/23/647618123.db2.gz QNHJXMHJDXYMOQ-KCPJHIHWSA-N 1 0 376.881 2.351 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(c2nccs2)C1 ZINC000364147080 647618987 /nfs/dbraw/zinc/61/89/87/647618987.db2.gz SRIWYURSCJJFQQ-ZDUSSCGKSA-N 1 0 378.523 2.148 20 0 GEADRO O=C(NCCc1ccc(I)s1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364154657 647619666 /nfs/dbraw/zinc/61/96/66/647619666.db2.gz GSFHFVOPQMAISK-MFKMUULPSA-N 1 0 376.263 2.011 20 0 GEADRO Cc1ncc(CN2CC[C@@H]([NH2+]CC(=O)N(C)c3nccs3)[C@@H](C)C2)s1 ZINC000364461383 647627188 /nfs/dbraw/zinc/62/71/88/647627188.db2.gz LTQNENGFPLVRLH-SWLSCSKDSA-N 1 0 379.555 2.371 20 0 GEADRO Cc1ncc(CN2CC[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)[C@H](C)C2)s1 ZINC000364458188 647627519 /nfs/dbraw/zinc/62/75/19/647627519.db2.gz GGPZWDZNSVVZMX-RISCZKNCSA-N 1 0 378.464 2.272 20 0 GEADRO CSc1ccccc1S(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000364597179 647638649 /nfs/dbraw/zinc/63/86/49/647638649.db2.gz DHOUDQZZAVGVHM-CVEARBPZSA-N 1 0 383.583 2.055 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000364802413 647643299 /nfs/dbraw/zinc/64/32/99/647643299.db2.gz FSWZQJRYMMEKPM-CQSZACIVSA-N 1 0 386.539 2.482 20 0 GEADRO C[N@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000364890807 647647696 /nfs/dbraw/zinc/64/76/96/647647696.db2.gz BNFGUFCPOPSBNK-YNEHKIRRSA-N 1 0 380.373 2.399 20 0 GEADRO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000364923295 647649293 /nfs/dbraw/zinc/64/92/93/647649293.db2.gz YVCUZUVSMPGCNF-BBRMVZONSA-N 1 0 399.333 2.041 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000364938259 647650426 /nfs/dbraw/zinc/65/04/26/647650426.db2.gz UHZFUXQQZAIZQF-KGLIPLIRSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H]1CCN(Cc2nnc(S(C)(=O)=O)s2)CCN1Cc1ccccc1 ZINC000364948737 647650946 /nfs/dbraw/zinc/65/09/46/647650946.db2.gz FJGFPEHFYGDFHB-CQSZACIVSA-N 1 0 380.539 2.038 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000364953548 647651886 /nfs/dbraw/zinc/65/18/86/647651886.db2.gz LLIOXTVGIFFWAG-LSDHHAIUSA-N 1 0 395.345 2.251 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000364963567 647652340 /nfs/dbraw/zinc/65/23/40/647652340.db2.gz UCNZQNOITHQJSL-ZIAGYGMSSA-N 1 0 384.318 2.165 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)cc1Cl ZINC000364971192 647652968 /nfs/dbraw/zinc/65/29/68/647652968.db2.gz WDDCTDXWFSPODZ-FWDPORAESA-N 1 0 377.293 2.206 20 0 GEADRO COc1cc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1Br ZINC000365057516 647655477 /nfs/dbraw/zinc/65/54/77/647655477.db2.gz OOIHOETXGONPMW-LBPRGKRZSA-N 1 0 386.290 2.378 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000365104312 647659136 /nfs/dbraw/zinc/65/91/36/647659136.db2.gz HIPQVPGGMRHZSW-KRWDZBQOSA-N 1 0 394.357 2.478 20 0 GEADRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)Nc1ccccc1I ZINC000365188628 647663259 /nfs/dbraw/zinc/66/32/59/647663259.db2.gz DLBNTNQDFXUTIV-DZGCQCFKSA-N 1 0 386.233 2.387 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ncc1Br ZINC000365217276 647664493 /nfs/dbraw/zinc/66/44/93/647664493.db2.gz FGQDSNUIDVGKES-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO CCOc1cc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)cc(Br)c1OC ZINC000365653559 647679719 /nfs/dbraw/zinc/67/97/19/647679719.db2.gz DWFZSGUALDVPBR-OLZOCXBDSA-N 1 0 383.286 2.424 20 0 GEADRO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000366222839 647699746 /nfs/dbraw/zinc/69/97/46/647699746.db2.gz XGTCZXZPBIFUAQ-SJORKVTESA-N 1 0 375.579 2.063 20 0 GEADRO O=C(Nc1ccc(Cl)cc1F)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000366561012 647701838 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20 0 GEADRO Cc1nc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)sc1Br ZINC000367557464 647738436 /nfs/dbraw/zinc/73/84/36/647738436.db2.gz PYWNZPZFIMSXGL-SNVBAGLBSA-N 1 0 380.333 2.073 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3I)C[C@H]21 ZINC000368593322 647760681 /nfs/dbraw/zinc/76/06/81/647760681.db2.gz PIVIHSFCKXZTIP-IUODEOHRSA-N 1 0 384.261 2.386 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1Cl ZINC000369186811 647771745 /nfs/dbraw/zinc/77/17/45/647771745.db2.gz FIPHSBWWDRSUDI-ZACCUICWSA-N 1 0 392.930 2.400 20 0 GEADRO Cc1nn(C)c(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1Br ZINC000369375983 647775352 /nfs/dbraw/zinc/77/53/52/647775352.db2.gz QPIIKAPXFCCFAB-UHFFFAOYSA-N 1 0 381.274 2.478 20 0 GEADRO Cc1nc(-c2ccc(CCNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)s2)cs1 ZINC000371250726 647786954 /nfs/dbraw/zinc/78/69/54/647786954.db2.gz CBTPDTRQNFVJEX-MRXNPFEDSA-N 1 0 376.551 2.229 20 0 GEADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000372184841 647803088 /nfs/dbraw/zinc/80/30/88/647803088.db2.gz GFKIQKFBTPPNJJ-NEPJUHHUSA-N 1 0 395.308 2.085 20 0 GEADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000372459818 647804756 /nfs/dbraw/zinc/80/47/56/647804756.db2.gz JBLJEFOREJFVTP-TURKWSHLSA-N 1 0 377.432 2.353 20 0 GEADRO C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3cncc(Br)c3)C2)CC1 ZINC000374182900 647820278 /nfs/dbraw/zinc/82/02/78/647820278.db2.gz JZMZRLDHAKWCIG-UHFFFAOYSA-N 1 0 395.301 2.117 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000374184694 647820665 /nfs/dbraw/zinc/82/06/65/647820665.db2.gz VKRRTQVNILVMPA-GXTWGEPZSA-N 1 0 376.906 2.174 20 0 GEADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000374612500 647822809 /nfs/dbraw/zinc/82/28/09/647822809.db2.gz OXGRGHFBNPLEKH-SNVBAGLBSA-N 1 0 375.288 2.327 20 0 GEADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000374814799 647827237 /nfs/dbraw/zinc/82/72/37/647827237.db2.gz MWKDOSKNUKHTEE-IRXDYDNUSA-N 1 0 375.485 2.018 20 0 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/nfs/dbraw/zinc/10/34/86/648103486.db2.gz MXNZMLGPPCDQFY-NSHDSACASA-N 1 0 375.416 2.408 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000415416190 648103897 /nfs/dbraw/zinc/10/38/97/648103897.db2.gz MXNZMLGPPCDQFY-LLVKDONJSA-N 1 0 375.416 2.408 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415418507 648104271 /nfs/dbraw/zinc/10/42/71/648104271.db2.gz XZMUWBDJRHIZAC-VIFPVBQESA-N 1 0 390.228 2.172 20 0 GEADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NCC1=CC[NH2+]CC1 ZINC000415471667 648105542 /nfs/dbraw/zinc/10/55/42/648105542.db2.gz RDRGYFVNFWGPTC-UHFFFAOYSA-N 1 0 386.221 2.416 20 0 GEADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415472130 648105992 /nfs/dbraw/zinc/10/59/92/648105992.db2.gz UVXUMWFDJJYPET-PELKAZGASA-N 1 0 388.237 2.494 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2s1 ZINC000415587766 648107388 /nfs/dbraw/zinc/10/73/88/648107388.db2.gz OIDGJDDMDFEWFJ-JBLDHEPKSA-N 1 0 378.885 2.392 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(OC)cc2I)C1 ZINC000415596745 648108565 /nfs/dbraw/zinc/10/85/65/648108565.db2.gz MBAKBLQMJKZWEL-JTQLQIEISA-N 1 0 389.237 2.373 20 0 GEADRO COc1ccc(NC(=O)N[C@@H](C[NH3+])C2CC2)c(I)c1 ZINC000415598167 648109112 /nfs/dbraw/zinc/10/91/12/648109112.db2.gz OVOPKLCWWVOLOT-LBPRGKRZSA-N 1 0 375.210 2.159 20 0 GEADRO COc1ccc(NC(=O)NC2CC[NH2+]CC2)c(I)c1 ZINC000415603020 648109713 /nfs/dbraw/zinc/10/97/13/648109713.db2.gz ZIIOMWRQZMIFIS-UHFFFAOYSA-N 1 0 375.210 2.173 20 0 GEADRO COc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(I)c1 ZINC000415600530 648109837 /nfs/dbraw/zinc/10/98/37/648109837.db2.gz SXYNLPVWGNJJJQ-SKDRFNHKSA-N 1 0 389.237 2.419 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1Br ZINC000415607495 648110166 /nfs/dbraw/zinc/11/01/66/648110166.db2.gz KHEPTKXVZGVREG-QWRGUYRKSA-N 1 0 382.258 2.309 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415626176 648111422 /nfs/dbraw/zinc/11/14/22/648111422.db2.gz SIKRAEUTJJWSFL-CYBMUJFWSA-N 1 0 398.301 2.433 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415808249 648112751 /nfs/dbraw/zinc/11/27/51/648112751.db2.gz NXGIXNZBQHPKQL-RQJHMYQMSA-N 1 0 382.180 2.258 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000415813048 648113842 /nfs/dbraw/zinc/11/38/42/648113842.db2.gz BLMJFWNSVOVLGH-NSHDSACASA-N 1 0 386.279 2.146 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(F)cc1Br ZINC000415814984 648113946 /nfs/dbraw/zinc/11/39/46/648113946.db2.gz RPVWIMKLHBSZQQ-WDEREUQCSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415816652 648114492 /nfs/dbraw/zinc/11/44/92/648114492.db2.gz YCHJODHOMWDZEN-UWVGGRQHSA-N 1 0 384.267 2.029 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000415816030 648114507 /nfs/dbraw/zinc/11/45/07/648114507.db2.gz GPDSOFOPZRHTFC-NSHDSACASA-N 1 0 386.279 2.146 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)[C@@H](C)C1 ZINC000416411387 648117013 /nfs/dbraw/zinc/11/70/13/648117013.db2.gz ZOTIVAULPRZBMG-GXTWGEPZSA-N 1 0 388.917 2.477 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1C(F)F ZINC000416415717 648119115 /nfs/dbraw/zinc/11/91/15/648119115.db2.gz URIYSZDNMPAMHI-CYBMUJFWSA-N 1 0 376.473 2.209 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000416415524 648119154 /nfs/dbraw/zinc/11/91/54/648119154.db2.gz IPJMSXYSTKSRBZ-JKSUJKDBSA-N 1 0 396.619 2.020 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C1 ZINC000416415990 648119158 /nfs/dbraw/zinc/11/91/58/648119158.db2.gz UZWMXRSBKVKYCA-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000416415520 648119178 /nfs/dbraw/zinc/11/91/78/648119178.db2.gz IPJMSXYSTKSRBZ-HOTGVXAUSA-N 1 0 396.619 2.020 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)c1C(F)F ZINC000416422377 648123218 /nfs/dbraw/zinc/12/32/18/648123218.db2.gz LJIHFWVIUSKSIT-UHFFFAOYSA-N 1 0 376.429 2.012 20 0 GEADRO Cc1cccc(Cl)c1S(=O)(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000416452963 648129151 /nfs/dbraw/zinc/12/91/51/648129151.db2.gz QAYLPUXNBIWFJG-HNNXBMFYSA-N 1 0 385.961 2.437 20 0 GEADRO CCOc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1Br ZINC000416492486 648147380 /nfs/dbraw/zinc/14/73/80/648147380.db2.gz AHHZYPVOCIYHCF-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000416495079 648148398 /nfs/dbraw/zinc/14/83/98/648148398.db2.gz KRBPGCRUTRVUFQ-SECBINFHSA-N 1 0 381.281 2.010 20 0 GEADRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000416506333 648153212 /nfs/dbraw/zinc/15/32/12/648153212.db2.gz GEORYTYJJNSSTP-ZDUSSCGKSA-N 1 0 390.933 2.374 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000416819551 648213108 /nfs/dbraw/zinc/21/31/08/648213108.db2.gz BFLDOVBBORBUKZ-VXGBXAGGSA-N 1 0 383.290 2.075 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000416824201 648213707 /nfs/dbraw/zinc/21/37/07/648213707.db2.gz IEIZJFROJQUPQP-RYUDHWBXSA-N 1 0 383.290 2.088 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000416826658 648213733 /nfs/dbraw/zinc/21/37/33/648213733.db2.gz KAMXTDDDULTBDO-UHFFFAOYSA-N 1 0 383.290 2.089 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000416833819 648214198 /nfs/dbraw/zinc/21/41/98/648214198.db2.gz RJDQUOWDEVFCEK-AAEUAGOBSA-N 1 0 397.317 2.322 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000416832383 648214228 /nfs/dbraw/zinc/21/42/28/648214228.db2.gz QDDYERJGTUGXBP-ZDUSSCGKSA-N 1 0 385.306 2.369 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Br ZINC000416891642 648215534 /nfs/dbraw/zinc/21/55/34/648215534.db2.gz NRHWSBLNTDOWCR-YPMHNXCESA-N 1 0 386.290 2.278 20 0 GEADRO COc1cc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1Br ZINC000416896399 648215932 /nfs/dbraw/zinc/21/59/32/648215932.db2.gz PFRSWSUZAOARPL-VXGBXAGGSA-N 1 0 386.290 2.377 20 0 GEADRO C[NH2+]CCCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417174044 648228619 /nfs/dbraw/zinc/22/86/19/648228619.db2.gz HTZCBVRTMGKZRG-UHFFFAOYSA-N 1 0 384.318 2.406 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000417190156 648230181 /nfs/dbraw/zinc/23/01/81/648230181.db2.gz ZQBPUOASKZSQNE-TVQRCGJNSA-N 1 0 384.274 2.318 20 0 GEADRO COCC[NH2+]CCNC(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000417216974 648233144 /nfs/dbraw/zinc/23/31/44/648233144.db2.gz QBIKVXNPAAFCCV-UHFFFAOYSA-N 1 0 384.318 2.406 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cn4cc(Br)ccc4n3)C[C@@H]21 ZINC000417215577 648233403 /nfs/dbraw/zinc/23/34/03/648233403.db2.gz IMUXCLJUXPJYGQ-TUKIKUTGSA-N 1 0 392.301 2.366 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417221444 648233768 /nfs/dbraw/zinc/23/37/68/648233768.db2.gz OUDLJFGZFORKMR-BXUZGUMPSA-N 1 0 380.290 2.414 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417223702 648234279 /nfs/dbraw/zinc/23/42/79/648234279.db2.gz LONJPXBHUZHDHL-SMDDNHRTSA-N 1 0 383.290 2.204 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[NH2+]1 ZINC000417227043 648234749 /nfs/dbraw/zinc/23/47/49/648234749.db2.gz PSNNQFDBMDMQJO-SMDDNHRTSA-N 1 0 383.290 2.217 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417226459 648234822 /nfs/dbraw/zinc/23/48/22/648234822.db2.gz OXXVIEYSVDBLHQ-FZMZJTMJSA-N 1 0 383.290 2.075 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417230703 648235659 /nfs/dbraw/zinc/23/56/59/648235659.db2.gz WMEMTANMUXYYEW-SMDDNHRTSA-N 1 0 383.290 2.075 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417296985 648238316 /nfs/dbraw/zinc/23/83/16/648238316.db2.gz HYRMODVQNAXAMH-ZYHUDNBSSA-N 1 0 384.274 2.099 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417303560 648238677 /nfs/dbraw/zinc/23/86/77/648238677.db2.gz SPKNSXYFZRVASC-CMPLNLGQSA-N 1 0 384.274 2.147 20 0 GEADRO C[C@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)[C@H](C[NH3+])C1 ZINC000417301744 648238854 /nfs/dbraw/zinc/23/88/54/648238854.db2.gz PYJBRIMQGOLFKO-AAEUAGOBSA-N 1 0 398.301 2.489 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000417364565 648240606 /nfs/dbraw/zinc/24/06/06/648240606.db2.gz HLDCXZAEEYYAGW-OCCSQVGLSA-N 1 0 397.317 2.465 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc(Br)c1OC ZINC000417374037 648241887 /nfs/dbraw/zinc/24/18/87/648241887.db2.gz KAHMMCWKIBJDLP-ZWNOBZJWSA-N 1 0 386.290 2.264 20 0 GEADRO COc1ccc(CNC(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1Br ZINC000417417172 648243463 /nfs/dbraw/zinc/24/34/63/648243463.db2.gz ADTYJOGEZZPITP-QWHCGFSZSA-N 1 0 386.290 2.105 20 0 GEADRO COc1ccc(CNC(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1Br ZINC000417417174 648243909 /nfs/dbraw/zinc/24/39/09/648243909.db2.gz ADTYJOGEZZPITP-STQMWFEESA-N 1 0 386.290 2.105 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417430749 648244347 /nfs/dbraw/zinc/24/43/47/648244347.db2.gz JVKYZQCJIGVFRA-SWLSCSKDSA-N 1 0 397.317 2.090 20 0 GEADRO COC[C@@]1(CNC(=O)NCc2ccc(OC)c(Br)c2)CCC[NH2+]1 ZINC000417428999 648244424 /nfs/dbraw/zinc/24/44/24/648244424.db2.gz MIXJUKXQQQBXMG-INIZCTEOSA-N 1 0 386.290 2.026 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417430548 648244435 /nfs/dbraw/zinc/24/44/35/648244435.db2.gz JVKYZQCJIGVFRA-IUODEOHRSA-N 1 0 397.317 2.090 20 0 GEADRO O=C(NCCc1ccc(I)s1)NCC[C@@H]1CC[NH2+]C1 ZINC000417439893 648246434 /nfs/dbraw/zinc/24/64/34/648246434.db2.gz MWRGDRGJXXEJOI-JTQLQIEISA-N 1 0 393.294 2.194 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000417477080 648247639 /nfs/dbraw/zinc/24/76/39/648247639.db2.gz CIGPTXJNXQNQFC-CHWSQXEVSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000417477092 648247764 /nfs/dbraw/zinc/24/77/64/648247764.db2.gz CIGPTXJNXQNQFC-QWHCGFSZSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000417478655 648248109 /nfs/dbraw/zinc/24/81/09/648248109.db2.gz DQUAWJPAZIFOPR-OLZOCXBDSA-N 1 0 397.317 2.465 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417478410 648248155 /nfs/dbraw/zinc/24/81/55/648248155.db2.gz IBUHKGLVQZHGMH-IVMMDQJWSA-N 1 0 381.318 2.325 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417478411 648248290 /nfs/dbraw/zinc/24/82/90/648248290.db2.gz IBUHKGLVQZHGMH-XNRPHZJLSA-N 1 0 381.318 2.325 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417479455 648248544 /nfs/dbraw/zinc/24/85/44/648248544.db2.gz KLMYDMQEOHIHPH-OFQRWUPVSA-N 1 0 393.329 2.279 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000417480903 648248548 /nfs/dbraw/zinc/24/85/48/648248548.db2.gz NEDOCQPANDMURV-BPLDGKMQSA-N 1 0 381.318 2.468 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417481862 648249072 /nfs/dbraw/zinc/24/90/72/648249072.db2.gz IALPSNLDAHTTDY-HNNXBMFYSA-N 1 0 399.333 2.242 20 0 GEADRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nnn1C ZINC000417522973 648251182 /nfs/dbraw/zinc/25/11/82/648251182.db2.gz ASQJMMJONZIDEQ-UHFFFAOYSA-N 1 0 395.305 2.482 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2)CC12CCOCC2 ZINC000417548520 648251913 /nfs/dbraw/zinc/25/19/13/648251913.db2.gz VWPSNCLILWONGJ-CQSZACIVSA-N 1 0 382.302 2.346 20 0 GEADRO C[NH2+]CCNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417598242 648255037 /nfs/dbraw/zinc/25/50/37/648255037.db2.gz YGYOIVHMZXRADE-UHFFFAOYSA-N 1 0 376.320 2.080 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417599082 648255138 /nfs/dbraw/zinc/25/51/38/648255138.db2.gz HFZAUVDOEYOSMF-KBPBESRZSA-N 1 0 381.318 2.421 20 0 GEADRO CC(C)(CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000417656021 648257053 /nfs/dbraw/zinc/25/70/53/648257053.db2.gz WBHJLXOCODHWLJ-GFCCVEGCSA-N 1 0 378.464 2.161 20 0 GEADRO CC[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)Cc1cccc(Br)c1 ZINC000417714224 648258384 /nfs/dbraw/zinc/25/83/84/648258384.db2.gz CKJVXKUWZVPSAL-CJNGLKHVSA-N 1 0 384.318 2.387 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417717184 648258701 /nfs/dbraw/zinc/25/87/01/648258701.db2.gz APRNDTSPHHOWPV-CYBMUJFWSA-N 1 0 395.305 2.407 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H]1C ZINC000417741688 648260715 /nfs/dbraw/zinc/26/07/15/648260715.db2.gz ZHZNAYFQVIJIBC-QWRGUYRKSA-N 1 0 393.289 2.126 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)NCC1(c2ccccc2Br)CC1 ZINC000417737963 648260848 /nfs/dbraw/zinc/26/08/48/648260848.db2.gz WNTWBBUBWIWSGZ-UHFFFAOYSA-N 1 0 395.345 2.075 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[C@H]1[NH3+] ZINC000417742276 648261386 /nfs/dbraw/zinc/26/13/86/648261386.db2.gz ZYWWHWKNMCZOSQ-ZWNOBZJWSA-N 1 0 393.289 2.113 20 0 GEADRO C[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)Oc1ccc(Br)cc1 ZINC000417777112 648261911 /nfs/dbraw/zinc/26/19/11/648261911.db2.gz QVUPRYGHFKTXMS-BXKDBHETSA-N 1 0 380.233 2.498 20 0 GEADRO CC[C@H](NC(=O)NCCCN1CC[NH2+]CC1)c1nc(C(F)(F)F)cs1 ZINC000417782387 648262075 /nfs/dbraw/zinc/26/20/75/648262075.db2.gz LOJHNTWIBACJTC-NSHDSACASA-N 1 0 379.452 2.208 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000417829267 648262929 /nfs/dbraw/zinc/26/29/29/648262929.db2.gz IIZDCFLNYUDSAJ-SNVBAGLBSA-N 1 0 378.786 2.184 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000417842919 648263049 /nfs/dbraw/zinc/26/30/49/648263049.db2.gz VBNYSUHDIOJPAC-SECBINFHSA-N 1 0 376.770 2.034 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000417852950 648263566 /nfs/dbraw/zinc/26/35/66/648263566.db2.gz ZUTIJYUVAVIMAH-SNVBAGLBSA-N 1 0 382.675 2.395 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417899034 648265656 /nfs/dbraw/zinc/26/56/56/648265656.db2.gz ZVHIWMZRPKQKCY-ZDUSSCGKSA-N 1 0 383.334 2.450 20 0 GEADRO CCC[NH2+]CCNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417918722 648265922 /nfs/dbraw/zinc/26/59/22/648265922.db2.gz XNWSFXQQCJRGRF-UHFFFAOYSA-N 1 0 399.333 2.085 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CCO1 ZINC000417958798 648267273 /nfs/dbraw/zinc/26/72/73/648267273.db2.gz VQCNVSLUUQQJOQ-LLVKDONJSA-N 1 0 396.207 2.337 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418000194 648268740 /nfs/dbraw/zinc/26/87/40/648268740.db2.gz JFPXHWNZOJDSBF-OKILXGFUSA-N 1 0 382.302 2.251 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418009473 648269534 /nfs/dbraw/zinc/26/95/34/648269534.db2.gz UUCIVWUBKLFIGJ-HIFRSBDPSA-N 1 0 382.302 2.394 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)NCCOCc1ccc(Cl)cc1Cl ZINC000418015237 648269876 /nfs/dbraw/zinc/26/98/76/648269876.db2.gz YTCOHBGDTKNKDI-UHFFFAOYSA-N 1 0 389.327 2.105 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])C2=O)ccc1Br ZINC000418015525 648269886 /nfs/dbraw/zinc/26/98/86/648269886.db2.gz PWYLBKFMHZRPST-JMSVASOKSA-N 1 0 397.317 2.288 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H](C)CC[NH3+])C2=O)ccc1Br ZINC000418016743 648270303 /nfs/dbraw/zinc/27/03/03/648270303.db2.gz RNNOIURDMAPMCL-SWLSCSKDSA-N 1 0 397.317 2.289 20 0 GEADRO C[NH2+]CCN(C)C(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000418017702 648270434 /nfs/dbraw/zinc/27/04/34/648270434.db2.gz SWUMRLVSWFMKRY-OAHLLOKOSA-N 1 0 397.317 2.114 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)nc12 ZINC000418019896 648271358 /nfs/dbraw/zinc/27/13/58/648271358.db2.gz MAGDSAVMVVXUHN-FZMZJTMJSA-N 1 0 380.290 2.202 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)nc12 ZINC000418029450 648272308 /nfs/dbraw/zinc/27/23/08/648272308.db2.gz RECUZPLSMYJAFA-NWDGAFQWSA-N 1 0 380.290 2.284 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)NCc2cc(Br)ccc2Br)C1 ZINC000418037387 648273178 /nfs/dbraw/zinc/27/31/78/648273178.db2.gz GUERCNRKMMXZGC-JTQLQIEISA-N 1 0 377.080 2.454 20 0 GEADRO CC1(C)C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)CO1 ZINC000418051919 648273785 /nfs/dbraw/zinc/27/37/85/648273785.db2.gz SWNUKZUJAADYTK-LBPRGKRZSA-N 1 0 391.331 2.275 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000418061166 648274214 /nfs/dbraw/zinc/27/42/14/648274214.db2.gz DHCJFODRRVMXRM-HNNXBMFYSA-N 1 0 381.523 2.431 20 0 GEADRO CCn1c(CNC(=O)N2CCC[C@@H]([NH3+])C2)nc2cc(Br)ccc21 ZINC000418065138 648274509 /nfs/dbraw/zinc/27/45/09/648274509.db2.gz LDNIHSXMPAZDQM-GFCCVEGCSA-N 1 0 380.290 2.451 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418071218 648275057 /nfs/dbraw/zinc/27/50/57/648275057.db2.gz SJJGWAGOXOJKAK-YPMHNXCESA-N 1 0 386.290 2.278 20 0 GEADRO CCn1c(CNC(=O)N[C@H]2CCC[NH2+]C2)nc2cc(Br)ccc21 ZINC000418072362 648275082 /nfs/dbraw/zinc/27/50/82/648275082.db2.gz XQPFNEJSNYZYPR-LBPRGKRZSA-N 1 0 380.290 2.370 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000418074587 648275489 /nfs/dbraw/zinc/27/54/89/648275489.db2.gz NSTPGROFSUMYBL-UHFFFAOYSA-N 1 0 385.917 2.029 20 0 GEADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000418083348 648276491 /nfs/dbraw/zinc/27/64/91/648276491.db2.gz ZPFFWWHRJSCQFU-CQSZACIVSA-N 1 0 392.256 2.367 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(Cl)cc1I ZINC000418087178 648277302 /nfs/dbraw/zinc/27/73/02/648277302.db2.gz GAHPOUZJQUBSEX-JTQLQIEISA-N 1 0 381.645 2.481 20 0 GEADRO C[C@@H](NC(=O)NCc1ccc(Cl)cc1I)[C@H](C)[NH3+] ZINC000418087942 648277746 /nfs/dbraw/zinc/27/77/46/648277746.db2.gz IXYVPQIZOYQYQS-JGVFFNPUSA-N 1 0 381.645 2.480 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418102405 648279930 /nfs/dbraw/zinc/27/99/30/648279930.db2.gz RLTXJJRLTJQANG-XPKDYRNWSA-N 1 0 379.302 2.031 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418103384 648279937 /nfs/dbraw/zinc/27/99/37/648279937.db2.gz STXSJFGBDQOZOP-RHSMWYFYSA-N 1 0 381.318 2.408 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418103389 648279955 /nfs/dbraw/zinc/27/99/55/648279955.db2.gz STXSJFGBDQOZOP-YOEHRIQHSA-N 1 0 381.318 2.408 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418109920 648280916 /nfs/dbraw/zinc/28/09/16/648280916.db2.gz AXGSKLFGEDCWDB-QWRGUYRKSA-N 1 0 375.254 2.259 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000418107992 648280999 /nfs/dbraw/zinc/28/09/99/648280999.db2.gz QKGQMVITAYMUQQ-GJZGRUSLSA-N 1 0 398.349 2.457 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)NC(=O)NCCC[NH3+] ZINC000418110705 648281421 /nfs/dbraw/zinc/28/14/21/648281421.db2.gz CKZQMGIUGKFTGF-LLVKDONJSA-N 1 0 375.254 2.260 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)N1CC[NH2+]CC1 ZINC000418116522 648282090 /nfs/dbraw/zinc/28/20/90/648282090.db2.gz QWNRWGAZTXROJY-LBPRGKRZSA-N 1 0 387.265 2.227 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(I)cc2Cl)C1 ZINC000418133103 648284107 /nfs/dbraw/zinc/28/41/07/648284107.db2.gz ZZRDTAMBRKISJH-NSHDSACASA-N 1 0 393.656 2.448 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418144147 648284572 /nfs/dbraw/zinc/28/45/72/648284572.db2.gz NGFJSPAMZPNCOC-GFCCVEGCSA-N 1 0 378.217 2.254 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1I ZINC000418143767 648284582 /nfs/dbraw/zinc/28/45/82/648284582.db2.gz QXXQNCUNQOCEAH-MRXNPFEDSA-N 1 0 399.276 2.495 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(I)c(C)c1 ZINC000418143064 648284684 /nfs/dbraw/zinc/28/46/84/648284684.db2.gz OOAOSQNEYUHDTG-CYBMUJFWSA-N 1 0 387.265 2.493 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000418153583 648285480 /nfs/dbraw/zinc/28/54/80/648285480.db2.gz VCOUAGYTZOZOEX-UONOGXRCSA-N 1 0 386.290 2.105 20 0 GEADRO CC[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1cc(F)cc(Br)c1 ZINC000418152520 648285562 /nfs/dbraw/zinc/28/55/62/648285562.db2.gz UCNSOSQBMWGZBL-CABCVRRESA-N 1 0 387.297 2.242 20 0 GEADRO C[C@@H](NC(=O)NCc1ccc(I)c(Cl)c1)[C@H](C)[NH3+] ZINC000418162452 648285796 /nfs/dbraw/zinc/28/57/96/648285796.db2.gz QMOORLTYPUMPAG-JGVFFNPUSA-N 1 0 381.645 2.480 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418160131 648286071 /nfs/dbraw/zinc/28/60/71/648286071.db2.gz PDHIXLBJURTVOF-SECBINFHSA-N 1 0 381.645 2.481 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C(F)F ZINC000418170660 648286286 /nfs/dbraw/zinc/28/62/86/648286286.db2.gz ZUXYMAZKVWYXQE-NXEZZACHSA-N 1 0 382.180 2.303 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418168253 648286325 /nfs/dbraw/zinc/28/63/25/648286325.db2.gz WNGBALUFZLDSSD-QMMMGPOBSA-N 1 0 381.645 2.339 20 0 GEADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCn1cc(Br)cn1 ZINC000418174068 648286731 /nfs/dbraw/zinc/28/67/31/648286731.db2.gz DABRKJXLTSHUNR-HNNXBMFYSA-N 1 0 380.290 2.207 20 0 GEADRO C[NH2+]CCNC(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000418183294 648287006 /nfs/dbraw/zinc/28/70/06/648287006.db2.gz LNKWMMSHBUFTES-CQSZACIVSA-N 1 0 397.317 2.080 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)NCCCn2cc(Br)cn2)C[C@H]1c1ccccc1 ZINC000418185791 648287109 /nfs/dbraw/zinc/28/71/09/648287109.db2.gz BKLBNCNSDDEEHC-JKSUJKDBSA-N 1 0 392.301 2.172 20 0 GEADRO C[C@H](NC(=O)NCCC[NH2+]Cc1cccnc1)c1ncc(Br)cn1 ZINC000418219790 648287792 /nfs/dbraw/zinc/28/77/92/648287792.db2.gz SSJODAGTQNXEIF-LBPRGKRZSA-N 1 0 393.289 2.174 20 0 GEADRO [NH3+]CCN(CCO)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418213031 648287852 /nfs/dbraw/zinc/28/78/52/648287852.db2.gz HTCDAWAMZQASPS-OAHLLOKOSA-N 1 0 395.301 2.270 20 0 GEADRO [NH3+][C@H](CNC(=O)NCc1c(Br)cncc1Br)C1CC1 ZINC000418231957 648288905 /nfs/dbraw/zinc/28/89/05/648288905.db2.gz CUYDMQYZSNGTEK-LLVKDONJSA-N 1 0 392.095 2.143 20 0 GEADRO C[C@H](NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418232136 648289076 /nfs/dbraw/zinc/28/90/76/648289076.db2.gz MBEIOXXTSIRMQI-UONOGXRCSA-N 1 0 387.933 2.191 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000418234728 648289230 /nfs/dbraw/zinc/28/92/30/648289230.db2.gz QUGWEZIHYJVFJV-CQSZACIVSA-N 1 0 387.933 2.145 20 0 GEADRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000418238083 648289263 /nfs/dbraw/zinc/28/92/63/648289263.db2.gz WQYKOCWPYZBAAW-ZFWWWQNUSA-N 1 0 387.933 2.321 20 0 GEADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCc1nn(C)cc1Br ZINC000418239023 648289714 /nfs/dbraw/zinc/28/97/14/648289714.db2.gz GKYIUGOKRFBYAW-CQSZACIVSA-N 1 0 380.290 2.244 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418273670 648290730 /nfs/dbraw/zinc/29/07/30/648290730.db2.gz XJKCWEUMTUELFI-SNVBAGLBSA-N 1 0 388.216 2.122 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418271985 648290744 /nfs/dbraw/zinc/29/07/44/648290744.db2.gz USCLJRSUXCYZCP-LLVKDONJSA-N 1 0 380.290 2.466 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2cccc(Br)c2)CC12CCOCC2 ZINC000418273004 648290796 /nfs/dbraw/zinc/29/07/96/648290796.db2.gz AKXFGJLKBUDFMH-OAHLLOKOSA-N 1 0 396.329 2.389 20 0 GEADRO C[NH2+]CCCNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418276021 648290822 /nfs/dbraw/zinc/29/08/22/648290822.db2.gz FDBMZSZUMQNCKX-UHFFFAOYSA-N 1 0 387.297 2.025 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000418295523 648291662 /nfs/dbraw/zinc/29/16/62/648291662.db2.gz HSPAKOCODMKYOT-UHFFFAOYSA-N 1 0 395.345 2.276 20 0 GEADRO CC[NH2+]CCNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418312905 648292592 /nfs/dbraw/zinc/29/25/92/648292592.db2.gz AMWCVFZVRRCFPC-AWEZNQCLSA-N 1 0 381.826 2.427 20 0 GEADRO C[NH2+]CCNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418325824 648293036 /nfs/dbraw/zinc/29/30/36/648293036.db2.gz KABUBHVWDAKXRT-LLVKDONJSA-N 1 0 384.196 2.020 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1Br ZINC000418332432 648293252 /nfs/dbraw/zinc/29/32/52/648293252.db2.gz FQQWWMMWVPYXFE-GDBMZVCRSA-N 1 0 398.345 2.207 20 0 GEADRO C[NH2+]CCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418334332 648293422 /nfs/dbraw/zinc/29/34/22/648293422.db2.gz TVTJWIPISDAQKD-UHFFFAOYSA-N 1 0 383.290 2.029 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418344395 648294084 /nfs/dbraw/zinc/29/40/84/648294084.db2.gz BEDPPBYRFQBYJJ-UONOGXRCSA-N 1 0 379.810 2.179 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418344392 648294159 /nfs/dbraw/zinc/29/41/59/648294159.db2.gz BEDPPBYRFQBYJJ-KGLIPLIRSA-N 1 0 379.810 2.179 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418365363 648294883 /nfs/dbraw/zinc/29/48/83/648294883.db2.gz JSHDKSXTAMUQKS-ZDUSSCGKSA-N 1 0 396.289 2.202 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000418385673 648295837 /nfs/dbraw/zinc/29/58/37/648295837.db2.gz PSDKHERVEPIHDE-FZMZJTMJSA-N 1 0 385.249 2.500 20 0 GEADRO [NH3+][C@@H](CNC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000418503784 648298642 /nfs/dbraw/zinc/29/86/42/648298642.db2.gz YVRZWSDPOTXRFY-AWEZNQCLSA-N 1 0 385.295 2.198 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418500455 648298737 /nfs/dbraw/zinc/29/87/37/648298737.db2.gz PPZWYGVVXMBYBI-LBPRGKRZSA-N 1 0 376.320 2.406 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NCC2([NH3+])CCC2)cc1Br ZINC000418505743 648299208 /nfs/dbraw/zinc/29/92/08/648299208.db2.gz DPJYYHWGPGKHNF-AWEZNQCLSA-N 1 0 384.318 2.089 20 0 GEADRO COCCN(Cc1sccc1Br)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418520856 648299656 /nfs/dbraw/zinc/29/96/56/648299656.db2.gz HYLVPURFQXUIMH-NSHDSACASA-N 1 0 376.320 2.278 20 0 GEADRO [NH3+]C1(CNC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)CCC1 ZINC000418517911 648299669 /nfs/dbraw/zinc/29/96/69/648299669.db2.gz KVGSIDWKMFRXEB-UHFFFAOYSA-N 1 0 396.289 2.332 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCC1=CC[NH2+]CC1 ZINC000418545902 648301264 /nfs/dbraw/zinc/30/12/64/648301264.db2.gz WNHSKQFZOAHUJO-OAHLLOKOSA-N 1 0 396.329 2.127 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000418569966 648301674 /nfs/dbraw/zinc/30/16/74/648301674.db2.gz CODGEHWFIUFEIC-CFVMTHIKSA-N 1 0 384.318 2.169 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418577226 648302775 /nfs/dbraw/zinc/30/27/75/648302775.db2.gz OVDVDPBJUUSRRT-GOEBONIOSA-N 1 0 398.345 2.350 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418585761 648303214 /nfs/dbraw/zinc/30/32/14/648303214.db2.gz PPDAKQSHRDLJEH-IMJJTQAJSA-N 1 0 398.345 2.478 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000418592675 648303608 /nfs/dbraw/zinc/30/36/08/648303608.db2.gz DHKOBFGNNVKIPF-WDEREUQCSA-N 1 0 376.320 2.155 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418608653 648304311 /nfs/dbraw/zinc/30/43/11/648304311.db2.gz CWYULPGNXUMHEH-WMLDXEAASA-N 1 0 395.345 2.274 20 0 GEADRO COC[C@@]1(CNC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)CCC[NH2+]1 ZINC000418660012 648306421 /nfs/dbraw/zinc/30/64/21/648306421.db2.gz WQWZVDRDWFTTOT-AWEZNQCLSA-N 1 0 380.436 2.465 20 0 GEADRO COC[C@]1(CNC(=O)N(C)Cc2ccc(Br)c(F)c2)CCC[NH2+]1 ZINC000418654743 648306427 /nfs/dbraw/zinc/30/64/27/648306427.db2.gz MQDQEXBSHGZWNR-MRXNPFEDSA-N 1 0 388.281 2.498 20 0 GEADRO COC[C@]1(CNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000418648863 648306521 /nfs/dbraw/zinc/30/65/21/648306521.db2.gz DIDWVRYHOODBMT-QGZVFWFLSA-N 1 0 390.311 2.266 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418663727 648306545 /nfs/dbraw/zinc/30/65/45/648306545.db2.gz YFSOZCVQILETMA-ARFHVFGLSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](O)COc1ccccc1Br ZINC000418673632 648306849 /nfs/dbraw/zinc/30/68/49/648306849.db2.gz OJAMQPALIWFSKL-STQMWFEESA-N 1 0 388.306 2.006 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418671653 648307050 /nfs/dbraw/zinc/30/70/50/648307050.db2.gz LHVHORJQENZNJU-IUODEOHRSA-N 1 0 397.317 2.149 20 0 GEADRO C[C@@H](NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@H](C)[NH3+] ZINC000418693800 648307637 /nfs/dbraw/zinc/30/76/37/648307637.db2.gz HELHYRIANGLYMX-VHSXEESVSA-N 1 0 379.814 2.321 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000418751298 648309334 /nfs/dbraw/zinc/30/93/34/648309334.db2.gz ABTKLQXQWNMGPW-MRXNPFEDSA-N 1 0 381.318 2.027 20 0 GEADRO O=C(CNC(=O)NCCC[C@H]1CCC[NH2+]1)Nc1cccc(Br)c1 ZINC000418759641 648310112 /nfs/dbraw/zinc/31/01/12/648310112.db2.gz DQDLLOCMUYNRJY-CYBMUJFWSA-N 1 0 383.290 2.219 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cccc(Cl)c3Cl)C[C@@H]21 ZINC000418766674 648310910 /nfs/dbraw/zinc/31/09/10/648310910.db2.gz RCLRKNLAPZYXBV-VNHYZAJKSA-N 1 0 384.307 2.238 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000418768297 648310931 /nfs/dbraw/zinc/31/09/31/648310931.db2.gz RPANWEISNAOQPL-VXGBXAGGSA-N 1 0 387.347 2.261 20 0 GEADRO O=C(NCCc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418768635 648310966 /nfs/dbraw/zinc/31/09/66/648310966.db2.gz UHHVSNWNPOWVDY-BFHYXJOUSA-N 1 0 384.307 2.156 20 0 GEADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418777483 648312135 /nfs/dbraw/zinc/31/21/35/648312135.db2.gz YLESLJDRTKLADE-DZGCQCFKSA-N 1 0 398.301 2.293 20 0 GEADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418777183 648312179 /nfs/dbraw/zinc/31/21/79/648312179.db2.gz YEUGMWGPKARORT-CABCVRRESA-N 1 0 384.318 2.400 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000418776835 648312215 /nfs/dbraw/zinc/31/22/15/648312215.db2.gz XWTWOIWCUMGOEG-CABCVRRESA-N 1 0 386.265 2.423 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418782387 648312700 /nfs/dbraw/zinc/31/27/00/648312700.db2.gz DWVGNBCOMRAXAX-JQWIXIFHSA-N 1 0 376.320 2.142 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418797753 648313060 /nfs/dbraw/zinc/31/30/60/648313060.db2.gz VAXTWWZHRUHVAP-WOPDTQHZSA-N 1 0 376.284 2.160 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)C1 ZINC000418801593 648313566 /nfs/dbraw/zinc/31/35/66/648313566.db2.gz XOBBQZCSHPTLFY-SMDDNHRTSA-N 1 0 388.281 2.220 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000418820366 648313881 /nfs/dbraw/zinc/31/38/81/648313881.db2.gz FKWDJZNDJYPPPI-DIOULYMOSA-N 1 0 394.313 2.007 20 0 GEADRO CC[NH+]1CCN(CCNc2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000418826596 648314613 /nfs/dbraw/zinc/31/46/13/648314613.db2.gz GEFXGERMSBQFPX-UHFFFAOYSA-N 1 0 387.269 2.974 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418823585 648314748 /nfs/dbraw/zinc/31/47/48/648314748.db2.gz YHNGBFCNNIDQBB-TWJWRFFLSA-N 1 0 382.291 2.318 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418823628 648314825 /nfs/dbraw/zinc/31/48/25/648314825.db2.gz YJDNKIQBCDJOMM-HZUKXOBISA-N 1 0 384.307 2.471 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000418838376 648315902 /nfs/dbraw/zinc/31/59/02/648315902.db2.gz VBHNJAKADFIATJ-VBNZEHGJSA-N 1 0 394.313 2.009 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418834568 648315928 /nfs/dbraw/zinc/31/59/28/648315928.db2.gz OSHRHOKHFPGXFF-QLFBSQMISA-N 1 0 382.302 2.055 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418841204 648316285 /nfs/dbraw/zinc/31/62/85/648316285.db2.gz GPZYCGIFVLJGLO-WBMJQRKESA-N 1 0 396.329 2.130 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000418846705 648317048 /nfs/dbraw/zinc/31/70/48/648317048.db2.gz SMZPMFIWNMRIHD-IPYPFGDCSA-N 1 0 396.329 2.082 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000418856531 648318538 /nfs/dbraw/zinc/31/85/38/648318538.db2.gz XBTPUUOJVZGMRL-WCFLWFBJSA-N 1 0 388.295 2.135 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2C)CC1 ZINC000418858427 648318585 /nfs/dbraw/zinc/31/85/85/648318585.db2.gz VYAJFRLUGNIVPO-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418867583 648319425 /nfs/dbraw/zinc/31/94/25/648319425.db2.gz UWBNEYSDZJUUKR-ZJUUUORDSA-N 1 0 376.259 2.378 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418937760 648322405 /nfs/dbraw/zinc/32/24/05/648322405.db2.gz GCJMDOIISXXBER-APHBMKBZSA-N 1 0 394.313 2.186 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418946105 648323780 /nfs/dbraw/zinc/32/37/80/648323780.db2.gz QZFYLDXYWXDYSO-IUIKQTSFSA-N 1 0 394.313 2.281 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418946108 648323789 /nfs/dbraw/zinc/32/37/89/648323789.db2.gz QZFYLDXYWXDYSO-XZJROXQQSA-N 1 0 394.313 2.281 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418948280 648323978 /nfs/dbraw/zinc/32/39/78/648323978.db2.gz QCJJSUKGERGOAR-LRDDRELGSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000418958324 648325666 /nfs/dbraw/zinc/32/56/66/648325666.db2.gz XGLABPTYHRVOMT-RULNRJAQSA-N 1 0 388.295 2.400 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418977703 648326405 /nfs/dbraw/zinc/32/64/05/648326405.db2.gz WFIMLGJOEWBCKB-ZDUSSCGKSA-N 1 0 385.295 2.233 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)C(=O)NC2CCC([NH3+])CC2)cc1Br ZINC000419007261 648327213 /nfs/dbraw/zinc/32/72/13/648327213.db2.gz JFXXBHSAFCRHGZ-QFWMXSHPSA-N 1 0 398.301 2.021 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419016567 648327677 /nfs/dbraw/zinc/32/76/77/648327677.db2.gz DXDZKFYLJGJJHI-IOASZLSFSA-N 1 0 396.329 2.143 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CCc2ccc(Br)cc2)C1 ZINC000419021439 648327950 /nfs/dbraw/zinc/32/79/50/648327950.db2.gz MGIKCIWGZCTIFI-UMVBOHGHSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419024102 648328343 /nfs/dbraw/zinc/32/83/43/648328343.db2.gz QBRXDARSVGBBAA-CJNGLKHVSA-N 1 0 396.329 2.145 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419040123 648329072 /nfs/dbraw/zinc/32/90/72/648329072.db2.gz MAPNOYPBUNGMFT-KBPBESRZSA-N 1 0 384.307 2.110 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000419041228 648329519 /nfs/dbraw/zinc/32/95/19/648329519.db2.gz NLOWICFNTJYWPY-UHFFFAOYSA-N 1 0 394.686 2.092 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000419045547 648329798 /nfs/dbraw/zinc/32/97/98/648329798.db2.gz SPVIBRMTERVORA-GUBZILKMSA-N 1 0 378.420 2.067 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)c1ccc(Cl)s1 ZINC000419045421 648329824 /nfs/dbraw/zinc/32/98/24/648329824.db2.gz WLMQWUXIWWADHA-CYBMUJFWSA-N 1 0 387.933 2.325 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419046139 648329865 /nfs/dbraw/zinc/32/98/65/648329865.db2.gz XTASVYBMIJDCBS-UHFFFAOYSA-N 1 0 384.307 2.468 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000419047954 648330014 /nfs/dbraw/zinc/33/00/14/648330014.db2.gz UTKGXLQXUTYXTR-JTQLQIEISA-N 1 0 380.901 2.112 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419049151 648330025 /nfs/dbraw/zinc/33/00/25/648330025.db2.gz BCWQVIAVQQBGOT-BJJXKVORSA-N 1 0 396.329 2.082 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419046907 648330153 /nfs/dbraw/zinc/33/01/53/648330153.db2.gz WUQUTBMCFZTMNJ-GFCCVEGCSA-N 1 0 377.819 2.047 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419053673 648330689 /nfs/dbraw/zinc/33/06/89/648330689.db2.gz KIUDLLKDKJXTTH-GJZGRUSLSA-N 1 0 398.345 2.376 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419052389 648330822 /nfs/dbraw/zinc/33/08/22/648330822.db2.gz HSOYVYLINYKDSP-UGSOOPFHSA-N 1 0 396.329 2.002 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419055219 648331125 /nfs/dbraw/zinc/33/11/25/648331125.db2.gz NTELLQVWMDNISY-DZGCQCFKSA-N 1 0 396.329 2.002 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419056933 648331512 /nfs/dbraw/zinc/33/15/12/648331512.db2.gz SMWDSVHAVQCJHC-KSSFIOAISA-N 1 0 396.329 2.084 20 0 GEADRO O=C(NCCSCc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419103167 648334662 /nfs/dbraw/zinc/33/46/62/648334662.db2.gz ZTDSEEIUQYZBJA-ZDUSSCGKSA-N 1 0 390.336 2.211 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000419113861 648334976 /nfs/dbraw/zinc/33/49/76/648334976.db2.gz RFTHVJINUUNTGF-LLVKDONJSA-N 1 0 396.207 2.024 20 0 GEADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419128678 648335868 /nfs/dbraw/zinc/33/58/68/648335868.db2.gz WYRVDYFRGNOQCU-MLGOLLRUSA-N 1 0 377.897 2.333 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419134302 648336818 /nfs/dbraw/zinc/33/68/18/648336818.db2.gz JTWRSZOXTFCPHI-NEPJUHHUSA-N 1 0 388.295 2.074 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000419155807 648337926 /nfs/dbraw/zinc/33/79/26/648337926.db2.gz UOXQCMJNPJATSL-LBPRGKRZSA-N 1 0 382.302 2.084 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419161326 648338276 /nfs/dbraw/zinc/33/82/76/648338276.db2.gz DCLNDGKOEWOOQV-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000419159476 648338303 /nfs/dbraw/zinc/33/83/03/648338303.db2.gz ZGIAZDOZXBKSSW-SLEUVZQESA-N 1 0 382.302 2.212 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)CC[C@@H]1[NH3+] ZINC000419187068 648340468 /nfs/dbraw/zinc/34/04/68/648340468.db2.gz MWIFLCFVQUHPPY-WFASDCNBSA-N 1 0 396.329 2.039 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1ccccc1Br ZINC000419195626 648341225 /nfs/dbraw/zinc/34/12/25/648341225.db2.gz YGYIWWQOKVHWOG-CYBMUJFWSA-N 1 0 396.329 2.101 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCc1ccccc1Br ZINC000419211850 648341839 /nfs/dbraw/zinc/34/18/39/648341839.db2.gz YGTUIGCLOGKORU-HNNXBMFYSA-N 1 0 396.329 2.002 20 0 GEADRO O=C(NCc1sccc1Br)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419301924 648346096 /nfs/dbraw/zinc/34/60/96/648346096.db2.gz PBAZVLJEQCXHMB-UHFFFAOYSA-N 1 0 394.294 2.046 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419305808 648346477 /nfs/dbraw/zinc/34/64/77/648346477.db2.gz XHRGVLFSFUSXSQ-RISCZKNCSA-N 1 0 396.329 2.125 20 0 GEADRO C[C@@H]1CN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000419327415 648347548 /nfs/dbraw/zinc/34/75/48/648347548.db2.gz CXDKVAGOQVAENA-KGLIPLIRSA-N 1 0 388.339 2.339 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1nnc(-c2ccccc2Br)o1 ZINC000419330119 648347696 /nfs/dbraw/zinc/34/76/96/648347696.db2.gz QKNXERSBNVIWDX-CHWSQXEVSA-N 1 0 395.301 2.386 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCC(=O)Nc1cccc(Br)c1 ZINC000419345891 648348831 /nfs/dbraw/zinc/34/88/31/648348831.db2.gz UNONALLYSNXYPX-KBPBESRZSA-N 1 0 384.318 2.165 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(Cl)c(Cl)c1 ZINC000419352836 648349493 /nfs/dbraw/zinc/34/94/93/648349493.db2.gz BJHKBKIQMILECN-ABAIWWIYSA-N 1 0 384.307 2.208 20 0 GEADRO CC[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)Cc1cccc(Br)c1 ZINC000419358576 648349871 /nfs/dbraw/zinc/34/98/71/648349871.db2.gz JCSCPWNKCRKLFT-ZDUSSCGKSA-N 1 0 396.329 2.132 20 0 GEADRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C1(O)CCOCC1 ZINC000419370178 648351183 /nfs/dbraw/zinc/35/11/83/648351183.db2.gz JDTRJIALXGHQKR-AWEZNQCLSA-N 1 0 385.302 2.133 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419413495 648351533 /nfs/dbraw/zinc/35/15/33/648351533.db2.gz FTYNKZWYKWRADS-ILXRZTDVSA-N 1 0 398.345 2.477 20 0 GEADRO Cc1cccc(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1Br ZINC000419489819 648354554 /nfs/dbraw/zinc/35/45/54/648354554.db2.gz GOTUGJFFMMPHBI-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCc1cccc(Br)c1 ZINC000419501997 648355038 /nfs/dbraw/zinc/35/50/38/648355038.db2.gz AOJAXLFAPPJOCE-UONOGXRCSA-N 1 0 384.318 2.088 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccsc1Br ZINC000419506085 648355148 /nfs/dbraw/zinc/35/51/48/648355148.db2.gz MNWNCRMWOQCTNH-QWRGUYRKSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000419520583 648356120 /nfs/dbraw/zinc/35/61/20/648356120.db2.gz MSBHGLHDOGMIBK-RPCCPQHDSA-N 1 0 396.329 2.402 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419584256 648356511 /nfs/dbraw/zinc/35/65/11/648356511.db2.gz IQHKZVWZIYGEIT-BLLLJJGKSA-N 1 0 394.313 2.059 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419580355 648356529 /nfs/dbraw/zinc/35/65/29/648356529.db2.gz ZLCXGBACQXGIQC-JHJVBQTASA-N 1 0 384.307 2.109 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CCC[NH2+]C1 ZINC000419589634 648357357 /nfs/dbraw/zinc/35/73/57/648357357.db2.gz QNAOHLUNPIUUDH-MAUKXSAKSA-N 1 0 394.313 2.059 20 0 GEADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1(C)C ZINC000419673120 648362292 /nfs/dbraw/zinc/36/22/92/648362292.db2.gz BLWPMVXVBSDDTF-OWYVNGRQSA-N 1 0 391.331 2.246 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCCOC1 ZINC000419673108 648362343 /nfs/dbraw/zinc/36/23/43/648362343.db2.gz BLABRPWKFRRFTL-JQWIXIFHSA-N 1 0 377.304 2.001 20 0 GEADRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1(C)C ZINC000419673121 648362349 /nfs/dbraw/zinc/36/23/49/648362349.db2.gz BLWPMVXVBSDDTF-QCZZGDTMSA-N 1 0 391.331 2.246 20 0 GEADRO COCCC(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419676031 648362687 /nfs/dbraw/zinc/36/26/87/648362687.db2.gz AWGJPJRYZIWPRQ-UHFFFAOYSA-N 1 0 379.320 2.249 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc(Br)s1)C1CCCCC1 ZINC000419695201 648366065 /nfs/dbraw/zinc/36/60/65/648366065.db2.gz RRSHNWAQKQNRIU-GFCCVEGCSA-N 1 0 388.331 2.151 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCCCO1 ZINC000419698328 648366525 /nfs/dbraw/zinc/36/65/25/648366525.db2.gz YSYWJVCULSCMHU-GWCFXTLKSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000419702263 648367481 /nfs/dbraw/zinc/36/74/81/648367481.db2.gz FKWHOXGYTKXYEG-MXWKQRLJSA-N 1 0 388.331 2.322 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000419704599 648367669 /nfs/dbraw/zinc/36/76/69/648367669.db2.gz HTFSRWSOXCDEMI-WDEREUQCSA-N 1 0 388.331 2.288 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419706408 648368150 /nfs/dbraw/zinc/36/81/50/648368150.db2.gz JQTYJPQQEWARLZ-GARJFASQSA-N 1 0 388.331 2.192 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(Br)s1 ZINC000419705919 648368243 /nfs/dbraw/zinc/36/82/43/648368243.db2.gz JJMOVJKHQHKKIH-QWRGUYRKSA-N 1 0 388.331 2.275 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)s2)CC1 ZINC000419721158 648371250 /nfs/dbraw/zinc/37/12/50/648371250.db2.gz YXYZDELAQGMEJA-SNVBAGLBSA-N 1 0 388.331 2.146 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000419727895 648371279 /nfs/dbraw/zinc/37/12/79/648371279.db2.gz MFLJKPQRNJQIDH-GXFFZTMASA-N 1 0 386.279 2.049 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)n1C ZINC000419739028 648373247 /nfs/dbraw/zinc/37/32/47/648373247.db2.gz ZUYPWJNTWLIWPE-HNNXBMFYSA-N 1 0 392.301 2.144 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CCC[NH2+]C1 ZINC000419736901 648373260 /nfs/dbraw/zinc/37/32/60/648373260.db2.gz XOUKGEXBKRJDKM-YVEFUNNKSA-N 1 0 386.279 2.049 20 0 GEADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419754046 648374960 /nfs/dbraw/zinc/37/49/60/648374960.db2.gz OOZQPVCVTXXQME-VNHYZAJKSA-N 1 0 384.307 2.109 20 0 GEADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419755105 648375433 /nfs/dbraw/zinc/37/54/33/648375433.db2.gz PXCCFLJWYHBVPR-INWMFGNUSA-N 1 0 384.307 2.251 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C1CC1 ZINC000419766896 648376378 /nfs/dbraw/zinc/37/63/78/648376378.db2.gz ZIMFBKAEQGPYTI-LLVKDONJSA-N 1 0 396.221 2.065 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)c1cc(F)cc(Br)c1 ZINC000419768799 648376655 /nfs/dbraw/zinc/37/66/55/648376655.db2.gz CHEAIMLFKBJSDE-IINYFYTJSA-N 1 0 388.281 2.127 20 0 GEADRO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC1CC[NH2+]CC1 ZINC000419769696 648376758 /nfs/dbraw/zinc/37/67/58/648376758.db2.gz CUMWQABZYKUWDZ-HNNXBMFYSA-N 1 0 398.276 2.024 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419771791 648377403 /nfs/dbraw/zinc/37/74/03/648377403.db2.gz FUQIIJPTRCNHRP-LSDHHAIUSA-N 1 0 398.276 2.024 20 0 GEADRO CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000419772702 648377428 /nfs/dbraw/zinc/37/74/28/648377428.db2.gz GYYOFBYUDZXVLR-KGLIPLIRSA-N 1 0 386.265 2.009 20 0 GEADRO CC[C@H](NC(=O)C(=O)NCC1=CC[NH2+]CC1)c1cc(F)cc(Br)c1 ZINC000419781664 648378258 /nfs/dbraw/zinc/37/82/58/648378258.db2.gz QKNJNSUEVMWCGW-HNNXBMFYSA-N 1 0 398.276 2.191 20 0 GEADRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C12CCC2 ZINC000419794373 648379144 /nfs/dbraw/zinc/37/91/44/648379144.db2.gz KYZJPPLXUKVPKP-KGLIPLIRSA-N 1 0 389.315 2.144 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000419801116 648379675 /nfs/dbraw/zinc/37/96/75/648379675.db2.gz APMHQUDIXJDUNU-IUODEOHRSA-N 1 0 396.329 2.039 20 0 GEADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000419801166 648379685 /nfs/dbraw/zinc/37/96/85/648379685.db2.gz JMZXCRWHIXJSSD-BMIGLBTASA-N 1 0 391.331 2.390 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419802533 648379967 /nfs/dbraw/zinc/37/99/67/648379967.db2.gz BTRGDHCEFPTBAA-UHFFFAOYSA-N 1 0 398.345 2.477 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419803118 648380122 /nfs/dbraw/zinc/38/01/22/648380122.db2.gz BTEXDUFVSRUIIE-DOMZBBRYSA-N 1 0 384.318 2.130 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419825530 648382618 /nfs/dbraw/zinc/38/26/18/648382618.db2.gz RKVNDYCAXBCPCP-OAHLLOKOSA-N 1 0 398.345 2.333 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000419837484 648384337 /nfs/dbraw/zinc/38/43/37/648384337.db2.gz CYURFZSHQHBSLP-WBMJQRKESA-N 1 0 375.519 2.152 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419841830 648384391 /nfs/dbraw/zinc/38/43/91/648384391.db2.gz KWJPSNYBIRAJLY-AWEZNQCLSA-N 1 0 394.313 2.023 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000419893775 648386725 /nfs/dbraw/zinc/38/67/25/648386725.db2.gz QBJIXIWVFUIFPW-MNOVXSKESA-N 1 0 386.315 2.042 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000419909791 648387857 /nfs/dbraw/zinc/38/78/57/648387857.db2.gz GTPPCDDGLUCCNB-BBRMVZONSA-N 1 0 381.929 2.072 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000419915010 648388181 /nfs/dbraw/zinc/38/81/81/648388181.db2.gz OWTIWEBFPLZPJQ-AWEZNQCLSA-N 1 0 377.535 2.454 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419911273 648388192 /nfs/dbraw/zinc/38/81/92/648388192.db2.gz JHVMRRRPDNCRIT-CQSZACIVSA-N 1 0 396.329 2.304 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419917016 648388714 /nfs/dbraw/zinc/38/87/14/648388714.db2.gz FSGMROMZFVZGHY-OAHLLOKOSA-N 1 0 382.302 2.228 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419923492 648388723 /nfs/dbraw/zinc/38/87/23/648388723.db2.gz BFIVCVQJKGCMHG-CYBMUJFWSA-N 1 0 396.329 2.127 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000419926809 648389016 /nfs/dbraw/zinc/38/90/16/648389016.db2.gz VIHOCIGTVABOSU-UHFFFAOYSA-N 1 0 396.329 2.055 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000419931807 648389372 /nfs/dbraw/zinc/38/93/72/648389372.db2.gz DBPNMPSCCHENFX-WBMJQRKESA-N 1 0 396.329 2.393 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000419943494 648390603 /nfs/dbraw/zinc/39/06/03/648390603.db2.gz HKLOFNMIAMMYMM-CYBMUJFWSA-N 1 0 384.318 2.158 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419952184 648391034 /nfs/dbraw/zinc/39/10/34/648391034.db2.gz ONFILYOWBUZBCZ-OCCSQVGLSA-N 1 0 396.329 2.084 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419954351 648391090 /nfs/dbraw/zinc/39/10/90/648391090.db2.gz QFNDVWJVRPKOGY-IUODEOHRSA-N 1 0 382.302 2.084 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000419957728 648391569 /nfs/dbraw/zinc/39/15/69/648391569.db2.gz PCTOZODFBMIOKM-ZDUSSCGKSA-N 1 0 388.281 2.036 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000419981246 648392476 /nfs/dbraw/zinc/39/24/76/648392476.db2.gz TVUBJMAWHAWYNL-LBPRGKRZSA-N 1 0 388.281 2.036 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000419985019 648392734 /nfs/dbraw/zinc/39/27/34/648392734.db2.gz VOSMLBFNPFWXAX-OAHLLOKOSA-N 1 0 384.318 2.286 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419985705 648392785 /nfs/dbraw/zinc/39/27/85/648392785.db2.gz WDIBMRGWQNAMSL-IUODEOHRSA-N 1 0 388.295 2.073 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419985498 648392794 /nfs/dbraw/zinc/39/27/94/648392794.db2.gz VUKPPORENRXNBE-INIZCTEOSA-N 1 0 396.329 2.287 20 0 GEADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000419997999 648394235 /nfs/dbraw/zinc/39/42/35/648394235.db2.gz KXSLNYCFFWUEBI-HZPDHXFCSA-N 1 0 381.929 2.215 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000420001744 648394458 /nfs/dbraw/zinc/39/44/58/648394458.db2.gz RQXINTIMYPRTEW-OAHLLOKOSA-N 1 0 379.245 2.089 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCc1cccc(F)c1Br ZINC000420000733 648394500 /nfs/dbraw/zinc/39/45/00/648394500.db2.gz QJYBZJLFJFAXFZ-MRXNPFEDSA-N 1 0 375.282 2.340 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419998956 648394641 /nfs/dbraw/zinc/39/46/41/648394641.db2.gz NZFLQFNDJOSQDR-CABCVRRESA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420004050 648395087 /nfs/dbraw/zinc/39/50/87/648395087.db2.gz UTECODDSLFVVTO-MRXNPFEDSA-N 1 0 396.329 2.444 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Br)cc2cccnc21 ZINC000420022252 648396454 /nfs/dbraw/zinc/39/64/54/648396454.db2.gz VPGQYGJZQHUHBT-KRWDZBQOSA-N 1 0 380.286 2.430 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000420022655 648396483 /nfs/dbraw/zinc/39/64/83/648396483.db2.gz WGRDJOYPXJQFNY-MRXNPFEDSA-N 1 0 396.329 2.255 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1)C1CC1 ZINC000420025026 648397084 /nfs/dbraw/zinc/39/70/84/648397084.db2.gz AWMAKBKYSOLIJB-MRXNPFEDSA-N 1 0 394.313 2.009 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420031389 648397464 /nfs/dbraw/zinc/39/74/64/648397464.db2.gz FKNXKSOXCUBROM-WQGACYEGSA-N 1 0 394.313 2.138 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000420050569 648397925 /nfs/dbraw/zinc/39/79/25/648397925.db2.gz FPMUKJYOUKYNOD-GFCCVEGCSA-N 1 0 388.295 2.217 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420055226 648398444 /nfs/dbraw/zinc/39/84/44/648398444.db2.gz HWMLIZAJPOOBOJ-DOMZBBRYSA-N 1 0 382.302 2.041 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420058894 648398916 /nfs/dbraw/zinc/39/89/16/648398916.db2.gz KBSGCYGYHWUFIV-CZUORRHYSA-N 1 0 396.329 2.431 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420070487 648399664 /nfs/dbraw/zinc/39/96/64/648399664.db2.gz VLOJHSGMVDGXLD-RYUDHWBXSA-N 1 0 388.331 2.103 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000420120309 648403264 /nfs/dbraw/zinc/40/32/64/648403264.db2.gz JVHCLZDYOBSBFP-DAXOMENPSA-N 1 0 381.929 2.213 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420122068 648403334 /nfs/dbraw/zinc/40/33/34/648403334.db2.gz PTWNIZKMKFTVOD-JMSVASOKSA-N 1 0 382.302 2.083 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420127825 648403881 /nfs/dbraw/zinc/40/38/81/648403881.db2.gz PIKRHZRAAFIKJH-DOMZBBRYSA-N 1 0 382.302 2.054 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420129440 648404269 /nfs/dbraw/zinc/40/42/69/648404269.db2.gz QSKRIWMTUUOHQI-CJNGLKHVSA-N 1 0 396.329 2.443 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000420135967 648404898 /nfs/dbraw/zinc/40/48/98/648404898.db2.gz CPALGGQCHDGNTD-HNNXBMFYSA-N 1 0 384.318 2.350 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000420136239 648405057 /nfs/dbraw/zinc/40/50/57/648405057.db2.gz IMUOVZVTIHFZCZ-INIZCTEOSA-N 1 0 392.297 2.149 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000420158491 648406694 /nfs/dbraw/zinc/40/66/94/648406694.db2.gz QNDRPHHYTICYTP-GHMZBOCLSA-N 1 0 388.331 2.288 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000420167917 648407155 /nfs/dbraw/zinc/40/71/55/648407155.db2.gz SNUSZLHKVOSOPM-UHFFFAOYSA-N 1 0 382.291 2.304 20 0 GEADRO COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420186153 648408759 /nfs/dbraw/zinc/40/87/59/648408759.db2.gz QCXVUQGZNTVKHG-OAHLLOKOSA-N 1 0 388.295 2.009 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420197237 648408778 /nfs/dbraw/zinc/40/87/78/648408778.db2.gz LMDCDJXNHDMXKP-OCCSQVGLSA-N 1 0 382.302 2.041 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420208882 648409248 /nfs/dbraw/zinc/40/92/48/648409248.db2.gz MEOASAJJYZJKFM-MGPQQGTHSA-N 1 0 384.307 2.456 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000420214290 648409812 /nfs/dbraw/zinc/40/98/12/648409812.db2.gz VFRNRLORAKRYHB-UHOFOFEASA-N 1 0 394.313 2.356 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420345625 648413648 /nfs/dbraw/zinc/41/36/48/648413648.db2.gz AUZHQNCVWNDPCM-TUKIKUTGSA-N 1 0 399.276 2.445 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000420360423 648414102 /nfs/dbraw/zinc/41/41/02/648414102.db2.gz HCFMXENFDQIVOA-UEKVPHQBSA-N 1 0 387.265 2.206 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1ccccc1I ZINC000420358284 648414106 /nfs/dbraw/zinc/41/41/06/648414106.db2.gz FFGVYDYTQLAOLQ-JRPNMDOOSA-N 1 0 387.265 2.206 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000420448357 648416979 /nfs/dbraw/zinc/41/69/79/648416979.db2.gz LHKJRUUCIDNZQI-GFCCVEGCSA-N 1 0 383.283 2.249 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c(Br)c1 ZINC000420464986 648418174 /nfs/dbraw/zinc/41/81/74/648418174.db2.gz PVCPVRZMJHEVSF-ZDUSSCGKSA-N 1 0 377.304 2.124 20 0 GEADRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)C(F)F ZINC000420463937 648418199 /nfs/dbraw/zinc/41/81/99/648418199.db2.gz OIVYPFMMSOKNFD-SECBINFHSA-N 1 0 377.638 2.363 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000420467817 648418740 /nfs/dbraw/zinc/41/87/40/648418740.db2.gz STPKYKSRXPMOON-GXSJLCMTSA-N 1 0 386.848 2.015 20 0 GEADRO C[NH2+]CCCN(C)S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000420468783 648419207 /nfs/dbraw/zinc/41/92/07/648419207.db2.gz HIIATIPFNHHGFH-UHFFFAOYSA-N 1 0 386.411 2.334 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000420469940 648419240 /nfs/dbraw/zinc/41/92/40/648419240.db2.gz WGOIRMDNKPSJSQ-DZGCQCFKSA-N 1 0 386.901 2.279 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)C[C@H]1c1ccccc1F ZINC000420469167 648419295 /nfs/dbraw/zinc/41/92/95/648419295.db2.gz IHICISNPVBCVMJ-CMPLNLGQSA-N 1 0 389.246 2.297 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420470282 648419332 /nfs/dbraw/zinc/41/93/32/648419332.db2.gz WQUGXGPGKCOWTH-CYBMUJFWSA-N 1 0 377.304 2.124 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420472001 648419844 /nfs/dbraw/zinc/41/98/44/648419844.db2.gz BKUOKWMQMYCYBK-QWRGUYRKSA-N 1 0 377.304 2.063 20 0 GEADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CCCO[C@@H](C[NH3+])C3)cc2s1 ZINC000420473908 648420340 /nfs/dbraw/zinc/42/03/40/648420340.db2.gz XBBJSRHHSKBBRG-LBPRGKRZSA-N 1 0 383.539 2.332 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1Cl ZINC000420481404 648421277 /nfs/dbraw/zinc/42/12/77/648421277.db2.gz QUTUDXMLYWHRLX-RFAUZJTJSA-N 1 0 377.869 2.043 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000420741204 648447417 /nfs/dbraw/zinc/44/74/17/648447417.db2.gz SMLFZEBVOROJTJ-LBPRGKRZSA-N 1 0 379.295 2.444 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000420791139 648456528 /nfs/dbraw/zinc/45/65/28/648456528.db2.gz INTPQMIAGRYXRQ-UHFFFAOYSA-N 1 0 396.329 2.363 20 0 GEADRO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420958849 648459629 /nfs/dbraw/zinc/45/96/29/648459629.db2.gz DOXSIAMCJIHAJQ-AWEZNQCLSA-N 1 0 380.286 2.398 20 0 GEADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420980610 648461148 /nfs/dbraw/zinc/46/11/48/648461148.db2.gz WYPKXYVLOYGUQO-OAHLLOKOSA-N 1 0 397.313 2.478 20 0 GEADRO CN(C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[N@@H+]1C ZINC000421003327 648461659 /nfs/dbraw/zinc/46/16/59/648461659.db2.gz RWFYNZYTLDJDGA-GJZGRUSLSA-N 1 0 375.282 2.354 20 0 GEADRO CN(C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[N@@H+]1C ZINC000421003332 648461919 /nfs/dbraw/zinc/46/19/19/648461919.db2.gz RWFYNZYTLDJDGA-LSDHHAIUSA-N 1 0 375.282 2.354 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000421224089 648473425 /nfs/dbraw/zinc/47/34/25/648473425.db2.gz GVRDUIAWRJZPGK-UHFFFAOYSA-N 1 0 382.302 2.054 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421227238 648474466 /nfs/dbraw/zinc/47/44/66/648474466.db2.gz PYDJEZSMIQJXFL-WFASDCNBSA-N 1 0 394.313 2.137 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(F)cc1Br ZINC000421297532 648485603 /nfs/dbraw/zinc/48/56/03/648485603.db2.gz LLBKIJFZKKQHGK-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO CCCN1C[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1=O ZINC000421349507 648488362 /nfs/dbraw/zinc/48/83/62/648488362.db2.gz JLONYLLBEYAEKQ-ZDUSSCGKSA-N 1 0 392.301 2.378 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)COc1ccc(I)cc1 ZINC000421700259 648505031 /nfs/dbraw/zinc/50/50/31/648505031.db2.gz DLGUNYIAKZRHFW-ZDUSSCGKSA-N 1 0 388.249 2.223 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000421685557 648505139 /nfs/dbraw/zinc/50/51/39/648505139.db2.gz SOHMFPBPAWWJOC-UHFFFAOYSA-N 1 0 385.555 2.135 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000421709946 648506019 /nfs/dbraw/zinc/50/60/19/648506019.db2.gz IAEKATKPZTWLDD-GXTWGEPZSA-N 1 0 380.286 2.428 20 0 GEADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421757475 648507230 /nfs/dbraw/zinc/50/72/30/648507230.db2.gz NLTWHCPVDDSVQQ-UHFFFAOYSA-N 1 0 382.507 2.022 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422022885 648518346 /nfs/dbraw/zinc/51/83/46/648518346.db2.gz OKTDZUFPAMZHDL-IUODEOHRSA-N 1 0 382.302 2.120 20 0 GEADRO C[N@H+](CCCCNC(=O)C(=O)NCc1cc(Br)cs1)C1CC1 ZINC000422092333 648521055 /nfs/dbraw/zinc/52/10/55/648521055.db2.gz KREFHPHFNSSRAJ-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000422274860 648532171 /nfs/dbraw/zinc/53/21/71/648532171.db2.gz ZNDYQEJPPQHVLE-SNVBAGLBSA-N 1 0 390.709 2.175 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422458167 648546877 /nfs/dbraw/zinc/54/68/77/648546877.db2.gz VJIBBDJZAWZDHG-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO COc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1Br ZINC000422551015 648558306 /nfs/dbraw/zinc/55/83/06/648558306.db2.gz CRLONBIOXBXPCQ-WOPDTQHZSA-N 1 0 391.331 2.452 20 0 GEADRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422768574 648575170 /nfs/dbraw/zinc/57/51/70/648575170.db2.gz UTHBUMGYYQYPAY-RDTXWAMCSA-N 1 0 381.929 2.166 20 0 GEADRO O[C@H](C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)COc1cccc(Cl)c1Cl ZINC000422903713 648576096 /nfs/dbraw/zinc/57/60/96/648576096.db2.gz OXINYEISNFNOCD-SRCQZFHVSA-N 1 0 375.296 2.090 20 0 GEADRO C[C@H](C[C@H]1COCCN1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422908523 648576780 /nfs/dbraw/zinc/57/67/80/648576780.db2.gz MUDPMNVSSLCABQ-ZBFHGGJFSA-N 1 0 398.345 2.154 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CNCC[C@H]2C)c1 ZINC000422907238 648576844 /nfs/dbraw/zinc/57/68/44/648576844.db2.gz LEJJFTZWNVETHZ-WBMJQRKESA-N 1 0 384.318 2.165 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000423112990 648581569 /nfs/dbraw/zinc/58/15/69/648581569.db2.gz XYFVDANOYBQYDM-STQMWFEESA-N 1 0 382.302 2.006 20 0 GEADRO [NH3+][C@H]1CCCCC[C@@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000423112369 648581578 /nfs/dbraw/zinc/58/15/78/648581578.db2.gz XHRUTITUNGCPQG-KBPBESRZSA-N 1 0 387.265 2.479 20 0 GEADRO CC(C)[C@@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000423120626 648582547 /nfs/dbraw/zinc/58/25/47/648582547.db2.gz HKCVRMSNCZATEP-SWLSCSKDSA-N 1 0 384.318 2.305 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000423121124 648582889 /nfs/dbraw/zinc/58/28/89/648582889.db2.gz IFHKEUVSSYGKDO-AWEZNQCLSA-N 1 0 396.329 2.256 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423127894 648583334 /nfs/dbraw/zinc/58/33/34/648583334.db2.gz PXWVVZKKTFWRDF-CZUORRHYSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000423125818 648583369 /nfs/dbraw/zinc/58/33/69/648583369.db2.gz AJIAGYGLOYJETL-SNVBAGLBSA-N 1 0 388.331 2.055 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423172676 648586535 /nfs/dbraw/zinc/58/65/35/648586535.db2.gz URBZSOOLOVSMJR-LLVKDONJSA-N 1 0 388.331 2.056 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000423171913 648586642 /nfs/dbraw/zinc/58/66/42/648586642.db2.gz QMKCXHVSQAUDBJ-NOLJZWGESA-N 1 0 394.313 2.308 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)C1 ZINC000423172791 648586689 /nfs/dbraw/zinc/58/66/89/648586689.db2.gz VGSYHFXOQKQHHH-CMPLNLGQSA-N 1 0 388.331 2.055 20 0 GEADRO CC[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)Cc1cccc(Br)c1 ZINC000423216372 648587590 /nfs/dbraw/zinc/58/75/90/648587590.db2.gz RUTGXMOBSAQVJU-ZDUSSCGKSA-N 1 0 394.317 2.388 20 0 GEADRO C[C@@H](N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H]1CCC[NH2+]C1 ZINC000423221875 648587870 /nfs/dbraw/zinc/58/78/70/648587870.db2.gz YNLMIBHGQSTIOQ-DMDPSCGWSA-N 1 0 390.347 2.135 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC1 ZINC000423252962 648588306 /nfs/dbraw/zinc/58/83/06/648588306.db2.gz YJVOBZVOHRRBHG-ZDUSSCGKSA-N 1 0 396.329 2.036 20 0 GEADRO CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000423279132 648588901 /nfs/dbraw/zinc/58/89/01/648588901.db2.gz SEHWWYPUBIDPPN-AAEUAGOBSA-N 1 0 398.326 2.004 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000423254456 648589000 /nfs/dbraw/zinc/58/90/00/648589000.db2.gz YCLSUJABJRXMGI-WFASDCNBSA-N 1 0 385.302 2.083 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)N(C)CC[NH2+]C)Oc1ccc(Cl)c(Cl)c1 ZINC000423483525 648592643 /nfs/dbraw/zinc/59/26/43/648592643.db2.gz XYCQNUNSBGPFEO-GFCCVEGCSA-N 1 0 390.311 2.287 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N(C)CC[NH2+]C)Oc1ccc(Cl)c(Cl)c1 ZINC000423483533 648592714 /nfs/dbraw/zinc/59/27/14/648592714.db2.gz XYCQNUNSBGPFEO-LBPRGKRZSA-N 1 0 390.311 2.287 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC000423488188 648592755 /nfs/dbraw/zinc/59/27/55/648592755.db2.gz YMPXRCALEGQARY-GFCCVEGCSA-N 1 0 384.307 2.466 20 0 GEADRO Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1CNCCO1)CCCO2 ZINC000423513560 648593645 /nfs/dbraw/zinc/59/36/45/648593645.db2.gz CINASMLGYMSMTE-TZMCWYRMSA-N 1 0 388.249 2.083 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423550748 648594778 /nfs/dbraw/zinc/59/47/78/648594778.db2.gz AWKXJRIKSWQAPD-UHFFFAOYSA-N 1 0 396.285 2.141 20 0 GEADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423556057 648595085 /nfs/dbraw/zinc/59/50/85/648595085.db2.gz MHNFVAZFOIGPJP-RTXFEEFZSA-N 1 0 382.291 2.117 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N(Cc2ccccc2Br)C2CCCC2)C1 ZINC000423573949 648596417 /nfs/dbraw/zinc/59/64/17/648596417.db2.gz WTODQSGACDMBGF-CQSZACIVSA-N 1 0 394.313 2.280 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000423604118 648597097 /nfs/dbraw/zinc/59/70/97/648597097.db2.gz UYRZEJBEXYMIPB-ZDUSSCGKSA-N 1 0 396.329 2.383 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000423617343 648597717 /nfs/dbraw/zinc/59/77/17/648597717.db2.gz SYDGDJOZIWAYPT-AWEZNQCLSA-N 1 0 396.329 2.208 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423660728 648598582 /nfs/dbraw/zinc/59/85/82/648598582.db2.gz AUWIRTPHMHLDAR-HEHGZKQESA-N 1 0 381.929 2.229 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000423662404 648599018 /nfs/dbraw/zinc/59/90/18/648599018.db2.gz BHWCEWWPZIMAPP-ZYHUDNBSSA-N 1 0 388.331 2.197 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000423667584 648599040 /nfs/dbraw/zinc/59/90/40/648599040.db2.gz UNPUAMQLADYBBK-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000423677002 648599409 /nfs/dbraw/zinc/59/94/09/648599409.db2.gz JNAUJLYCSSOAOG-DOMZBBRYSA-N 1 0 382.302 2.136 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000423688731 648599439 /nfs/dbraw/zinc/59/94/39/648599439.db2.gz XLTHNAVDOBIMTC-CMPLNLGQSA-N 1 0 388.331 2.197 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423681630 648599490 /nfs/dbraw/zinc/59/94/90/648599490.db2.gz GCXWJXCTXSUTAM-CZUORRHYSA-N 1 0 396.329 2.178 20 0 GEADRO COC[C@@]1(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)CC[NH2+]C1 ZINC000423813364 648601998 /nfs/dbraw/zinc/60/19/98/648601998.db2.gz QLKJHVNUFSOZAD-QGZVFWFLSA-N 1 0 383.279 3.052 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)C2=O)ccc1Br ZINC000423843901 648602614 /nfs/dbraw/zinc/60/26/14/648602614.db2.gz MYZFUKHLEBRZQN-KNXALSJPSA-N 1 0 394.313 2.367 20 0 GEADRO COc1cc(Br)ccc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423946410 648604221 /nfs/dbraw/zinc/60/42/21/648604221.db2.gz IFFHSRYKKKLNBU-UHFFFAOYSA-N 1 0 396.329 2.404 20 0 GEADRO COc1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)c(I)c1 ZINC000423948348 648604743 /nfs/dbraw/zinc/60/47/43/648604743.db2.gz FYEVRPPNBAPZDJ-GFCCVEGCSA-N 1 0 376.238 2.403 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423972387 648606236 /nfs/dbraw/zinc/60/62/36/648606236.db2.gz PDGFKHGCCDQKHU-UKRRQHHQSA-N 1 0 381.523 2.011 20 0 GEADRO O=C(COc1ccc2cc(Br)ccc2c1)NC[C@H]1C[NH2+]CCO1 ZINC000423985139 648607428 /nfs/dbraw/zinc/60/74/28/648607428.db2.gz CWQPMFGGFTWAQZ-MRXNPFEDSA-N 1 0 379.254 2.086 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)COc3cc(Cl)ccc3Cl)C2)nn1 ZINC000423998888 648607922 /nfs/dbraw/zinc/60/79/22/648607922.db2.gz JLYRNNLGJSJROP-CYBMUJFWSA-N 1 0 384.267 2.286 20 0 GEADRO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc(I)cc32)C[C@H]1C[NH3+] ZINC000424002136 648608546 /nfs/dbraw/zinc/60/85/46/648608546.db2.gz CTDYRKBLJABBKL-NXEZZACHSA-N 1 0 398.248 2.224 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CCc3ccccc3Br)C2)nn1 ZINC000424000643 648608572 /nfs/dbraw/zinc/60/85/72/648608572.db2.gz MEDDRQQTMDDCJT-OAHLLOKOSA-N 1 0 392.301 2.296 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccc(F)cc3Br)C2)nn1 ZINC000424004392 648609169 /nfs/dbraw/zinc/60/91/69/648609169.db2.gz QMGLYHWAGMCERL-GFCCVEGCSA-N 1 0 382.237 2.116 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)COc3c(Cl)cccc3Cl)C2)nn1 ZINC000424007172 648609223 /nfs/dbraw/zinc/60/92/23/648609223.db2.gz VHEMHNSEKPSDLU-GFCCVEGCSA-N 1 0 384.267 2.286 20 0 GEADRO O=C(COc1ccc(I)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424031869 648610162 /nfs/dbraw/zinc/61/01/62/648610162.db2.gz UFSKYTRHIBNCIF-HNNXBMFYSA-N 1 0 386.233 2.025 20 0 GEADRO COc1cc(Br)c(C[NH2+]CCCCS(C)(=O)=O)c(OC)c1 ZINC000424169297 648615413 /nfs/dbraw/zinc/61/54/13/648615413.db2.gz HWWVDXWHDMRMIU-UHFFFAOYSA-N 1 0 380.304 2.381 20 0 GEADRO C[NH+](C)CCn1cc(NS(=O)(=O)CCc2ccc(Cl)cc2)ccc1=O ZINC000424214740 648619216 /nfs/dbraw/zinc/61/92/16/648619216.db2.gz YEWMBRFTEKJKLW-UHFFFAOYSA-N 1 0 383.901 2.048 20 0 GEADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424228799 648621112 /nfs/dbraw/zinc/62/11/12/648621112.db2.gz UZPSKGPJROFQKG-SCDSUCTJSA-N 1 0 383.279 2.448 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000424336169 648623307 /nfs/dbraw/zinc/62/33/07/648623307.db2.gz YNJZJLJXOBCJHX-VHSXEESVSA-N 1 0 394.324 2.160 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)CC[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000424475446 648630750 /nfs/dbraw/zinc/63/07/50/648630750.db2.gz JPIKAZOFWMMOSJ-TUKIKUTGSA-N 1 0 398.301 2.084 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424483701 648631122 /nfs/dbraw/zinc/63/11/22/648631122.db2.gz YVVZDGZNGIFJFT-QMMMGPOBSA-N 1 0 381.645 2.481 20 0 GEADRO COc1ncc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000424674266 648638453 /nfs/dbraw/zinc/63/84/53/648638453.db2.gz CIUQCEWFLMDRNM-LBPRGKRZSA-N 1 0 398.301 2.083 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000424858528 648654022 /nfs/dbraw/zinc/65/40/22/648654022.db2.gz BTAVAGNIQKEIHD-ZDUSSCGKSA-N 1 0 385.302 2.343 20 0 GEADRO O=C(Nc1ccn(CCC(F)(F)F)n1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000425327886 648673276 /nfs/dbraw/zinc/67/32/76/648673276.db2.gz SGKYYFXDDWMLAY-ZDUSSCGKSA-N 1 0 376.448 2.992 20 0 GEADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000425440843 648677449 /nfs/dbraw/zinc/67/74/49/648677449.db2.gz CIVKZGIRYXLFGH-UHFFFAOYSA-N 1 0 380.436 2.414 20 0 GEADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000425436693 648677591 /nfs/dbraw/zinc/67/75/91/648677591.db2.gz XAYARWJIIMUCCD-IRXDYDNUSA-N 1 0 384.567 2.360 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCCCS(C)(=O)=O)[C@H]1c1cccs1 ZINC000425568955 648685867 /nfs/dbraw/zinc/68/58/67/648685867.db2.gz JTTVWGDISJHLKC-HOCLYGCPSA-N 1 0 387.571 2.255 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ncnc2ccc(Br)cc21 ZINC000523656930 648685967 /nfs/dbraw/zinc/68/59/67/648685967.db2.gz UKACYGVBMGUZPN-CQSZACIVSA-N 1 0 378.274 2.144 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1Br ZINC000425816503 648698757 /nfs/dbraw/zinc/69/87/57/648698757.db2.gz UQDXIRVUJGDTSA-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO O=C(NCCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1ccc(Br)cc1 ZINC000425936457 648701081 /nfs/dbraw/zinc/70/10/81/648701081.db2.gz MUYZJSKGBJWPSF-MRXNPFEDSA-N 1 0 394.313 2.312 20 0 GEADRO CC[N@H+](CCNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1)CCC(F)(F)F ZINC000425979371 648702579 /nfs/dbraw/zinc/70/25/79/648702579.db2.gz IAZWSMPXUMFZLH-LBPRGKRZSA-N 1 0 379.345 2.360 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1Br ZINC000426972657 648720013 /nfs/dbraw/zinc/72/00/13/648720013.db2.gz HGCKGHZOYLGHLQ-BXUZGUMPSA-N 1 0 398.301 2.385 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)c2c1OCCC2 ZINC000427049826 648721041 /nfs/dbraw/zinc/72/10/41/648721041.db2.gz SAWVJLPHPWQJTL-ZDUSSCGKSA-N 1 0 397.313 2.351 20 0 GEADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000427075318 648722321 /nfs/dbraw/zinc/72/23/21/648722321.db2.gz TVZXRCXRJGOGAF-VIFPVBQESA-N 1 0 388.212 2.019 20 0 GEADRO C[C@@H](CNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000428585663 648739478 /nfs/dbraw/zinc/73/94/78/648739478.db2.gz ZXGWOUZHFURBAU-ZFWWWQNUSA-N 1 0 398.345 2.382 20 0 GEADRO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000428594337 648740413 /nfs/dbraw/zinc/74/04/13/648740413.db2.gz DNLDZISRAWKKSA-GOEBONIOSA-N 1 0 396.329 2.136 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000428606313 648741248 /nfs/dbraw/zinc/74/12/48/648741248.db2.gz ZGLGRLZGCVBCKD-GDBMZVCRSA-N 1 0 396.329 2.136 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C[C@@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022490 648743371 /nfs/dbraw/zinc/74/33/71/648743371.db2.gz SLJVWSHGAAKZPE-WBVHZDCISA-N 1 0 387.293 2.356 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000429108891 648745298 /nfs/dbraw/zinc/74/52/98/648745298.db2.gz IQVDTBZOMCZHCO-XJKSGUPXSA-N 1 0 396.329 2.319 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429139168 648745816 /nfs/dbraw/zinc/74/58/16/648745816.db2.gz GGQLYWHLOSUQJS-UHFFFAOYSA-N 1 0 387.933 2.227 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000429132494 648745997 /nfs/dbraw/zinc/74/59/97/648745997.db2.gz WWNBFDYRGSPKTQ-XUJVJEKNSA-N 1 0 382.302 2.153 20 0 GEADRO COC(=O)CCNC(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429283907 648749119 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CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000435666548 648785196 /nfs/dbraw/zinc/78/51/96/648785196.db2.gz ZKWFZSHBHWBXHD-AWEZNQCLSA-N 1 0 380.286 2.475 20 0 GEADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000435725757 648786553 /nfs/dbraw/zinc/78/65/53/648786553.db2.gz ZPEYQPYEMILOQQ-OLZOCXBDSA-N 1 0 376.448 2.026 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000438787039 648803992 /nfs/dbraw/zinc/80/39/92/648803992.db2.gz ROGWUDYRQLZIEM-GHMZBOCLSA-N 1 0 384.249 2.270 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440745125 648811723 /nfs/dbraw/zinc/81/17/23/648811723.db2.gz HKSVAGJOUDEHAB-DOMZBBRYSA-N 1 0 388.917 2.269 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440764855 648812752 /nfs/dbraw/zinc/81/27/52/648812752.db2.gz VVPXRQKHQGMHLU-JTQLQIEISA-N 1 0 393.278 2.112 20 0 GEADRO C[NH2+]CCN(C)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000440831449 648814991 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OCCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000566232069 651605715 /nfs/dbraw/zinc/60/57/15/651605715.db2.gz YIKCWNSOVAVCPU-ZIAGYGMSSA-N 1 0 377.312 2.170 20 0 GEADRO OCCN1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000566231750 651605765 /nfs/dbraw/zinc/60/57/65/651605765.db2.gz TUDADMHEYBCAGN-GJZGRUSLSA-N 1 0 377.312 2.170 20 0 GEADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000566294844 651608007 /nfs/dbraw/zinc/60/80/07/651608007.db2.gz KSRGNNRXKDKUNX-HZPDHXFCSA-N 1 0 396.329 2.290 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)C1 ZINC000730788046 651608501 /nfs/dbraw/zinc/60/85/01/651608501.db2.gz QFZWTZVOWBRJQC-WBMJQRKESA-N 1 0 386.279 2.323 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000730811837 651610384 /nfs/dbraw/zinc/61/03/84/651610384.db2.gz LLQDTZPRVZFNGZ-SECBINFHSA-N 1 0 395.294 2.358 20 0 GEADRO COC1CC[NH+](C2(CNS(=O)(=O)c3ccc(Cl)nc3)CCCC2)CC1 ZINC000730814644 651610553 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Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000568964214 651692306 /nfs/dbraw/zinc/69/23/06/651692306.db2.gz ZCTDCUIMYIENHA-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO Cc1cc(Br)cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000646367188 651692791 /nfs/dbraw/zinc/69/27/91/651692791.db2.gz RBIFGBSYGTWHDR-GFCCVEGCSA-N 1 0 383.290 2.341 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000568990096 651694424 /nfs/dbraw/zinc/69/44/24/651694424.db2.gz DEWUEIXYEFTYFD-UHFFFAOYSA-N 1 0 398.859 2.331 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000569029713 651695090 /nfs/dbraw/zinc/69/50/90/651695090.db2.gz GKLNJEQZJUQJRY-AWEZNQCLSA-N 1 0 377.457 2.039 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000646447212 651696604 /nfs/dbraw/zinc/69/66/04/651696604.db2.gz RMDIBAFRCLFLML-HUUCEWRRSA-N 1 0 393.285 2.261 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cc(Cl)ccc3Br)C2)CC1 ZINC000646455685 651697513 /nfs/dbraw/zinc/69/75/13/651697513.db2.gz CNAMBZPXRJCHGN-UHFFFAOYSA-N 1 0 386.721 2.422 20 0 GEADRO Cc1cc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c(C)cc1Br ZINC000646458598 651698129 /nfs/dbraw/zinc/69/81/29/651698129.db2.gz ANUGHJLYXNFLCO-UHFFFAOYSA-N 1 0 380.330 2.385 20 0 GEADRO COC[C@@]1(C)NC(=O)N(C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1=O ZINC000733294561 651698821 /nfs/dbraw/zinc/69/88/21/651698821.db2.gz JPXCPJNBCOLVHC-MRXNPFEDSA-N 1 0 396.285 2.332 20 0 GEADRO O=C(CC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)Nc1cccc(Br)c1 ZINC000569079982 651699514 /nfs/dbraw/zinc/69/95/14/651699514.db2.gz KBCGNVHMJAKKBW-WMLDXEAASA-N 1 0 380.286 2.425 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)C1 ZINC000646573035 651703136 /nfs/dbraw/zinc/70/31/36/651703136.db2.gz IFVYCPDYVXKFSD-JTQLQIEISA-N 1 0 379.873 2.007 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)NCCC[N@@H+](C)CCN(C)C)c1Cl ZINC000569383326 651711046 /nfs/dbraw/zinc/71/10/46/651711046.db2.gz UMTOBUOLAIGZIC-UHFFFAOYSA-N 1 0 382.357 2.464 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000611243128 651716009 /nfs/dbraw/zinc/71/60/09/651716009.db2.gz YZMWGMZIBTUYBB-KGLIPLIRSA-N 1 0 398.472 2.392 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)C[C@@H]1[NH+](C)C ZINC000611243108 651716130 /nfs/dbraw/zinc/71/61/30/651716130.db2.gz QBWQGLACCCLWDY-IRXDYDNUSA-N 1 0 381.523 2.149 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(F)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646765592 651717816 /nfs/dbraw/zinc/71/78/16/651717816.db2.gz GIGHPUMBJLXFSD-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO O=C(NCCn1cc(Br)ccc1=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000569791768 651724415 /nfs/dbraw/zinc/72/44/15/651724415.db2.gz GLBLDBZEEZSVMY-UHFFFAOYSA-N 1 0 391.269 2.078 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000569812773 651726783 /nfs/dbraw/zinc/72/67/83/651726783.db2.gz ZVJLYYZVIJYFDS-OIISXLGYSA-N 1 0 398.345 2.232 20 0 GEADRO CC[S@](=O)CCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000733880031 651727054 /nfs/dbraw/zinc/72/70/54/651727054.db2.gz SCLBAUFFYYCIFM-CPJLOUKISA-N 1 0 376.444 2.326 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000569846753 651728488 /nfs/dbraw/zinc/72/84/88/651728488.db2.gz YULBHYHMUGDTFV-QWHCGFSZSA-N 1 0 396.329 2.229 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988604 651731678 /nfs/dbraw/zinc/73/16/78/651731678.db2.gz VJUNBPMUTGILLK-LLVKDONJSA-N 1 0 389.315 2.033 20 0 GEADRO O=C(c1cc[nH]c(=O)c1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000569896623 651732004 /nfs/dbraw/zinc/73/20/04/651732004.db2.gz TWIXPZDIRLMOIT-CYBMUJFWSA-N 1 0 398.301 2.267 20 0 GEADRO CSC[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000611621686 651731981 /nfs/dbraw/zinc/73/19/81/651731981.db2.gz LVOZBQQHGNWADT-HNNXBMFYSA-N 1 0 375.460 2.473 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N[C@H](C)CCC[NH3+])CC2=O)ccc1Br ZINC000647063538 651732834 /nfs/dbraw/zinc/73/28/34/651732834.db2.gz IQFXNKBCOKGVHW-OLZOCXBDSA-N 1 0 382.302 2.354 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C)CCC[NH3+] ZINC000647062917 651732868 /nfs/dbraw/zinc/73/28/68/651732868.db2.gz PFADZXIKJNDEQR-WFASDCNBSA-N 1 0 384.318 2.447 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000647063782 651733279 /nfs/dbraw/zinc/73/32/79/651733279.db2.gz NUJNLURUVHHHBY-LLVKDONJSA-N 1 0 391.331 2.245 20 0 GEADRO COc1ncncc1C[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000647215451 651736669 /nfs/dbraw/zinc/73/66/69/651736669.db2.gz VDXYPCVXBBCHQB-CQSZACIVSA-N 1 0 380.286 2.497 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)CC[NH2+]1 ZINC000647276826 651739900 /nfs/dbraw/zinc/73/99/00/651739900.db2.gz MOVDFAJKHDTGMV-QWRGUYRKSA-N 1 0 386.315 2.360 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)c(F)cc1F ZINC000734244130 651740126 /nfs/dbraw/zinc/74/01/26/651740126.db2.gz RJQZMYWXLMUJBB-LBPRGKRZSA-N 1 0 378.416 2.026 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000734244550 651740289 /nfs/dbraw/zinc/74/02/89/651740289.db2.gz VNGKDJQTCLWVHP-HNNXBMFYSA-N 1 0 388.917 2.270 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=S)NCCSc3ccccc3)CC2)C1 ZINC000734308523 651741990 /nfs/dbraw/zinc/74/19/90/651741990.db2.gz GCCSITLOJUUYIH-QGZVFWFLSA-N 1 0 378.611 2.365 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]C2CCC(F)(F)CC2)c1 ZINC000647292899 651742155 /nfs/dbraw/zinc/74/21/55/651742155.db2.gz KKONBOOSXBBQJW-NSHDSACASA-N 1 0 375.441 2.089 20 0 GEADRO CC[NH+](CC)CCCNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000612030718 651742295 /nfs/dbraw/zinc/74/22/95/651742295.db2.gz NREWETRYLBIQKC-UHFFFAOYSA-N 1 0 391.331 2.071 20 0 GEADRO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000570063391 651743883 /nfs/dbraw/zinc/74/38/83/651743883.db2.gz MUZPMPGMUZNFAR-CYBMUJFWSA-N 1 0 396.329 2.474 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)cc21 ZINC000647323927 651743975 /nfs/dbraw/zinc/74/39/75/651743975.db2.gz DSSYCROAXCUJQP-MEDUHNTESA-N 1 0 398.326 2.313 20 0 GEADRO Cn1cnc(CCC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)n1 ZINC000647327318 651744651 /nfs/dbraw/zinc/74/46/51/651744651.db2.gz YGFXTPNLGZEZDJ-ZDUSSCGKSA-N 1 0 399.314 2.019 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2Br)[C@H](C)C1 ZINC000734465011 651746347 /nfs/dbraw/zinc/74/63/47/651746347.db2.gz SYNHRHXVAGYPOU-DGCLKSJQSA-N 1 0 387.322 2.347 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C[C@@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487201 651746353 /nfs/dbraw/zinc/74/63/53/651746353.db2.gz MYQKZBLOEHLLPW-ZWKOTPCHSA-N 1 0 382.346 2.194 20 0 GEADRO CCOCCOc1ccc(Br)cc1CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647508331 651749177 /nfs/dbraw/zinc/74/91/77/651749177.db2.gz LAPNFCARJSHUIQ-CXAGYDPISA-N 1 0 387.318 2.412 20 0 GEADRO CCOCCOc1ccc(Br)cc1CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647508332 651749219 /nfs/dbraw/zinc/74/92/19/651749219.db2.gz LAPNFCARJSHUIQ-DYVFJYSZSA-N 1 0 387.318 2.412 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)N[C@H]3CCc4sc(Cl)cc43)C2)nn1 ZINC000570188059 651751676 /nfs/dbraw/zinc/75/16/76/651751676.db2.gz XJQUJMUEGGZSCW-AAEUAGOBSA-N 1 0 380.905 2.486 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000647725381 651755392 /nfs/dbraw/zinc/75/53/92/651755392.db2.gz ZMUQIVHHTRINTB-UHFFFAOYSA-N 1 0 381.318 2.468 20 0 GEADRO CC(C)CC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000570271128 651756610 /nfs/dbraw/zinc/75/66/10/651756610.db2.gz VWKLAADJLSIBMI-OAHLLOKOSA-N 1 0 390.571 2.125 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647778451 651758462 /nfs/dbraw/zinc/75/84/62/651758462.db2.gz GGDGQLXYSTUCRD-ZDUSSCGKSA-N 1 0 386.309 2.130 20 0 GEADRO CC(C)Oc1cc(Br)cc(C(=O)N(C)CCN2CC[NH2+]CC2)c1 ZINC000647777166 651758555 /nfs/dbraw/zinc/75/85/55/651758555.db2.gz BPXQDMOHFJKCGP-UHFFFAOYSA-N 1 0 384.318 2.214 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2C)C1 ZINC000612541781 651760738 /nfs/dbraw/zinc/76/07/38/651760738.db2.gz GFWMDCFGKPATTI-INIZCTEOSA-N 1 0 396.329 2.316 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(C[S@@](=O)CCOC)c1 ZINC000734988092 651762263 /nfs/dbraw/zinc/76/22/63/651762263.db2.gz ROCQRMHKUQYCAU-NSYGIPOTSA-N 1 0 383.583 2.352 20 0 GEADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000570398061 651764789 /nfs/dbraw/zinc/76/47/89/651764789.db2.gz AQMVXEZZFDAQFN-FRFSOERESA-N 1 0 394.313 2.356 20 0 GEADRO CC[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000647936971 651767111 /nfs/dbraw/zinc/76/71/11/651767111.db2.gz ONNDHUCAEYLETB-IUODEOHRSA-N 1 0 375.332 2.282 20 0 GEADRO C[C@@H](NC(=O)CN1CC[NH2+]C[C@@H]1C(F)F)c1ccc(Br)cc1 ZINC000647968324 651767730 /nfs/dbraw/zinc/76/77/30/651767730.db2.gz GOSYGGKYICDBMT-ZWNOBZJWSA-N 1 0 376.245 2.165 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000612750555 651769021 /nfs/dbraw/zinc/76/90/21/651769021.db2.gz AJATZXHCGPINCU-APHBMKBZSA-N 1 0 382.302 2.476 20 0 GEADRO CC(C)(NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccc(Br)cc1 ZINC000647994122 651769069 /nfs/dbraw/zinc/76/90/69/651769069.db2.gz SDULZZYCOQRAKU-CQSZACIVSA-N 1 0 392.301 2.458 20 0 GEADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000648050171 651772267 /nfs/dbraw/zinc/77/22/67/651772267.db2.gz CRDQWOHFGMAMRZ-AWEZNQCLSA-N 1 0 383.286 2.500 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(F)cc1Br ZINC000570544462 651773747 /nfs/dbraw/zinc/77/37/47/651773747.db2.gz DFCSRBJDQVINRG-KRWDZBQOSA-N 1 0 398.276 2.437 20 0 GEADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000648090501 651773893 /nfs/dbraw/zinc/77/38/93/651773893.db2.gz WLMAILBKZAFCQY-CQSZACIVSA-N 1 0 375.441 2.412 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000612871225 651774058 /nfs/dbraw/zinc/77/40/58/651774058.db2.gz MFACKUAAHZIHSR-MRXNPFEDSA-N 1 0 382.258 2.147 20 0 GEADRO C[C@@H](CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)n1cc(Br)cn1 ZINC000648107348 651774460 /nfs/dbraw/zinc/77/44/60/651774460.db2.gz CWXKPNWECULEKH-GXFFZTMASA-N 1 0 378.274 2.446 20 0 GEADRO C[C@H](CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)n1cc(Br)cn1 ZINC000648107350 651774658 /nfs/dbraw/zinc/77/46/58/651774658.db2.gz CWXKPNWECULEKH-ZWNOBZJWSA-N 1 0 378.274 2.446 20 0 GEADRO Nc1cc[nH+]cc1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000648174519 651775229 /nfs/dbraw/zinc/77/52/29/651775229.db2.gz FGTYDJIQOYWGDV-UHFFFAOYSA-N 1 0 393.260 2.354 20 0 GEADRO CCn1c(CNC(=O)N[C@@]2(C)CC[NH2+]C2)nc2cc(Br)ccc21 ZINC000612905639 651775594 /nfs/dbraw/zinc/77/55/94/651775594.db2.gz WUTPHKXEDMGENC-INIZCTEOSA-N 1 0 380.290 2.370 20 0 GEADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000570581596 651776658 /nfs/dbraw/zinc/77/66/58/651776658.db2.gz KINZDOOZWDFCKC-KBPBESRZSA-N 1 0 394.269 2.159 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000612970508 651777306 /nfs/dbraw/zinc/77/73/06/651777306.db2.gz KCHMMCNMIDECOB-CJNGLKHVSA-N 1 0 393.329 2.469 20 0 GEADRO C[C@@H](CC(=O)N1CC[NH+](CC2CCOCC2)CC1)n1cc(Br)cn1 ZINC000648293585 651777429 /nfs/dbraw/zinc/77/74/29/651777429.db2.gz RBZBCIOEZYLXKR-AWEZNQCLSA-N 1 0 399.333 2.168 20 0 GEADRO C[C@H](CC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)n1cc(Br)cn1 ZINC000648332055 651779455 /nfs/dbraw/zinc/77/94/55/651779455.db2.gz CCNNNRFOTYITFU-SLBVQIDZSA-N 1 0 399.333 2.307 20 0 GEADRO C[NH+](C)CCOCCNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000613284978 651780760 /nfs/dbraw/zinc/78/07/60/651780760.db2.gz LBPADYARYQLTKJ-UHFFFAOYSA-N 1 0 382.258 2.412 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000735501694 651784862 /nfs/dbraw/zinc/78/48/62/651784862.db2.gz ZXIHQIYCXBQFMN-SNVBAGLBSA-N 1 0 395.294 2.169 20 0 GEADRO CCOc1ccc(OC[C@@H](O)C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000570711293 651785419 /nfs/dbraw/zinc/78/54/19/651785419.db2.gz KIHYYGLTCXPTRW-AWEZNQCLSA-N 1 0 384.274 2.074 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000570739413 651787712 /nfs/dbraw/zinc/78/77/12/651787712.db2.gz ARGUEQNYYYKKLK-SNVBAGLBSA-N 1 0 395.294 2.312 20 0 GEADRO O=c1cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)nc2ccc(Br)cn12 ZINC000570755377 651789584 /nfs/dbraw/zinc/78/95/84/651789584.db2.gz FVRPKDGBYJBELG-CYBMUJFWSA-N 1 0 386.249 2.420 20 0 GEADRO Cc1cc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000570762140 651789599 /nfs/dbraw/zinc/78/95/99/651789599.db2.gz NHBCCMJNLKHFLD-HOTGVXAUSA-N 1 0 383.279 2.234 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2cccc(Br)c2C1 ZINC000735681950 651790837 /nfs/dbraw/zinc/79/08/37/651790837.db2.gz HBXKGNYULXGHDU-GJZGRUSLSA-N 1 0 394.313 2.380 20 0 GEADRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H](O)C(F)F ZINC000570802902 651792489 /nfs/dbraw/zinc/79/24/89/651792489.db2.gz DENMUZBCVZFAKT-VXGBXAGGSA-N 1 0 386.258 2.217 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1nc(C2CCC2)cs1 ZINC000570811279 651793552 /nfs/dbraw/zinc/79/35/52/651793552.db2.gz GSXOOOQIMOYSDZ-GFCCVEGCSA-N 1 0 377.436 2.368 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648715437 651796550 /nfs/dbraw/zinc/79/65/50/651796550.db2.gz XZCUYVNAWSOEQR-TZMCWYRMSA-N 1 0 382.302 2.495 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@H](C)n2cc(Br)cn2)C1 ZINC000648719525 651796570 /nfs/dbraw/zinc/79/65/70/651796570.db2.gz ACDBRFMGSNPPEL-DZGCQCFKSA-N 1 0 387.322 2.070 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000570875562 651796928 /nfs/dbraw/zinc/79/69/28/651796928.db2.gz OFBYEERYDGDNOF-CYBMUJFWSA-N 1 0 389.949 2.210 20 0 GEADRO C[C@@H](CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)n1cc(Br)cn1 ZINC000648722605 651797204 /nfs/dbraw/zinc/79/72/04/651797204.db2.gz AMYFJDMSNHKMLA-MELADBBJSA-N 1 0 387.322 2.212 20 0 GEADRO C[C@@H](C[NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000648735724 651798117 /nfs/dbraw/zinc/79/81/17/651798117.db2.gz ILCWKWKJFYETAL-AWEZNQCLSA-N 1 0 381.519 2.387 20 0 GEADRO C[C@@H]1[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2NS(C)(=O)=O)CC[N@@H+]1C ZINC000648771065 651801073 /nfs/dbraw/zinc/80/10/73/651801073.db2.gz BCDMRJBWNLJHPH-MWLCHTKSSA-N 1 0 379.404 2.356 20 0 GEADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570955346 651802078 /nfs/dbraw/zinc/80/20/78/651802078.db2.gz IHBVDAOZTAWMIV-CORIIIEPSA-N 1 0 391.295 2.101 20 0 GEADRO CO[C@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@H](C[NH3+])C1 ZINC000570964326 651802662 /nfs/dbraw/zinc/80/26/62/651802662.db2.gz MUWXAVXOMVFNIP-QWRGUYRKSA-N 1 0 392.244 2.104 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2cccc(I)c2)C1 ZINC000571046019 651808152 /nfs/dbraw/zinc/80/81/52/651808152.db2.gz SURIMTBKXUGHIB-PWSUYJOCSA-N 1 0 394.278 2.087 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2c[nH]c3cccc(Br)c32)C1 ZINC000614066984 651811440 /nfs/dbraw/zinc/81/14/40/651811440.db2.gz NLTMMVFLFZJTNJ-KRWDZBQOSA-N 1 0 380.286 2.459 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000614070420 651811465 /nfs/dbraw/zinc/81/14/65/651811465.db2.gz KRXYTYOVNBRLPB-JZXOWHBKSA-N 1 0 381.314 2.468 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000649068491 651813360 /nfs/dbraw/zinc/81/33/60/651813360.db2.gz HVHKTFCVLQSMFN-VBNZEHGJSA-N 1 0 394.313 2.131 20 0 GEADRO Cc1ccc(Br)c(C)c1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649070830 651813712 /nfs/dbraw/zinc/81/37/12/651813712.db2.gz WLDISEVGPNVEDC-ZDUSSCGKSA-N 1 0 382.302 2.258 20 0 GEADRO C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccc(Br)cc1 ZINC000649072281 651814479 /nfs/dbraw/zinc/81/44/79/651814479.db2.gz BPLLREDXMXZWJG-STQMWFEESA-N 1 0 382.302 2.131 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(Cl)cc1Br ZINC000649074391 651814916 /nfs/dbraw/zinc/81/49/16/651814916.db2.gz IBQILQVLENWPGI-JTQLQIEISA-N 1 0 388.693 2.295 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000571180900 651816007 /nfs/dbraw/zinc/81/60/07/651816007.db2.gz XHAXZQPXVMWJIE-RQJHMYQMSA-N 1 0 382.180 2.258 20 0 GEADRO O=S(=O)(CCc1ccccc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000571254900 651820646 /nfs/dbraw/zinc/82/06/46/651820646.db2.gz VKDRWVWLTKUXKI-OAHLLOKOSA-N 1 0 387.343 2.492 20 0 GEADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000649288006 651822005 /nfs/dbraw/zinc/82/20/05/651822005.db2.gz ZGPKBNKUBSXQRC-NSHDSACASA-N 1 0 379.238 2.282 20 0 GEADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000736453825 651822229 /nfs/dbraw/zinc/82/22/29/651822229.db2.gz LASYBIMFVVMNKF-TWKFVSLJSA-N 1 0 379.595 2.367 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C1([NH+](C)C)CC1 ZINC000614345213 651822592 /nfs/dbraw/zinc/82/25/92/651822592.db2.gz CTUDTSGIVWNEGJ-UHFFFAOYSA-N 1 0 378.274 2.082 20 0 GEADRO Cc1ccc(NCCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)nc1 ZINC000649334691 651823249 /nfs/dbraw/zinc/82/32/49/651823249.db2.gz BGOJYTAZPOBULL-SFHVURJKSA-N 1 0 391.313 2.945 20 0 GEADRO Cc1ccc(NCCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)nc1 ZINC000649334690 651823356 /nfs/dbraw/zinc/82/33/56/651823356.db2.gz BGOJYTAZPOBULL-GOSISDBHSA-N 1 0 391.313 2.945 20 0 GEADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000649331751 651823395 /nfs/dbraw/zinc/82/33/95/651823395.db2.gz SWJABTSGCCHAAN-NWDGAFQWSA-N 1 0 388.256 2.389 20 0 GEADRO CCc1nsc(N2CCCN(C(=O)[C@@H]([NH3+])c3cccc(Cl)c3)CC2)n1 ZINC000649347614 651823396 /nfs/dbraw/zinc/82/33/96/651823396.db2.gz IYYKHIDTUGQKNC-HNNXBMFYSA-N 1 0 379.917 2.493 20 0 GEADRO CCC[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC)S(N)(=O)=O ZINC000614674166 651832115 /nfs/dbraw/zinc/83/21/15/651832115.db2.gz IZAPSBUBDZXPJY-HZPDHXFCSA-N 1 0 389.949 2.296 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cccc2c1OCO2)c1ccc(F)cc1Cl ZINC000571464839 651834285 /nfs/dbraw/zinc/83/42/85/651834285.db2.gz KQAGCKURHCOHSU-UHFFFAOYSA-N 1 0 386.832 2.276 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649986231 651839378 /nfs/dbraw/zinc/83/93/78/651839378.db2.gz ZQQCCJPXVDAQIT-UHFFFAOYSA-N 1 0 397.317 2.304 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccc(Br)c(F)c3)[C@@H]2C1 ZINC000650013974 651841644 /nfs/dbraw/zinc/84/16/44/651841644.db2.gz QPOSXOKRIFEGNL-BXUZGUMPSA-N 1 0 377.279 2.054 20 0 GEADRO COc1c(Cl)cc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1Cl ZINC000650018735 651841695 /nfs/dbraw/zinc/84/16/95/651841695.db2.gz CFYNKAXJDQQXHB-UHFFFAOYSA-N 1 0 389.283 2.240 20 0 GEADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000571706333 651848888 /nfs/dbraw/zinc/84/88/88/651848888.db2.gz CGCSZCJTQAZCEB-ZDUSSCGKSA-N 1 0 377.453 2.138 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1OC ZINC000571761283 651852025 /nfs/dbraw/zinc/85/20/25/651852025.db2.gz FCIDYEVZZYGSLI-GWCFXTLKSA-N 1 0 390.889 2.026 20 0 GEADRO C[C@H](C[C@H]1COCC[NH2+]1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000571789103 651854017 /nfs/dbraw/zinc/85/40/17/651854017.db2.gz LHUBTJYZXXWHIO-KOLCDFICSA-N 1 0 377.798 2.258 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000571789005 651854060 /nfs/dbraw/zinc/85/40/60/651854060.db2.gz KZMUMXJQRMBZPS-LLVKDONJSA-N 1 0 384.303 2.299 20 0 GEADRO COC(=O)[C@@](C)(NC[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000571809735 651855704 /nfs/dbraw/zinc/85/57/04/651855704.db2.gz YYUCOWKESHUNLX-GUYCJALGSA-N 1 0 375.296 2.426 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000615265933 651858700 /nfs/dbraw/zinc/85/87/00/651858700.db2.gz KJBITKWEKRWMCR-GJZGRUSLSA-N 1 0 393.285 2.261 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3c[nH]c4cccc(Br)c34)C2)CC1 ZINC000615272472 651859240 /nfs/dbraw/zinc/85/92/40/651859240.db2.gz GBKOFFOGNCBJKS-UHFFFAOYSA-N 1 0 391.313 2.250 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)CCOc3ccc(Cl)cc3Cl)C2)CC1 ZINC000615274037 651859364 /nfs/dbraw/zinc/85/93/64/651859364.db2.gz KCYLTLLXCOKGEJ-UHFFFAOYSA-N 1 0 386.323 2.468 20 0 GEADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650490726 651861283 /nfs/dbraw/zinc/86/12/83/651861283.db2.gz GNDHUWBGPVISDX-AWEZNQCLSA-N 1 0 385.555 2.093 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000571983053 651865078 /nfs/dbraw/zinc/86/50/78/651865078.db2.gz MWSUBRMCJLMHJH-OKILXGFUSA-N 1 0 394.313 2.462 20 0 GEADRO CN1CCN(C(=O)NCCCOc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000571984314 651865159 /nfs/dbraw/zinc/86/51/59/651865159.db2.gz UELMAQJXAKOKFN-CYBMUJFWSA-N 1 0 375.300 2.047 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3nscc3Br)nc2)CC1 ZINC000651120020 651873140 /nfs/dbraw/zinc/87/31/40/651873140.db2.gz OIBMTSCVFSXBTF-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccccc1I ZINC000615761586 651874669 /nfs/dbraw/zinc/87/46/69/651874669.db2.gz LXQMFWXBJUAINX-SNVBAGLBSA-N 1 0 379.263 2.377 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1ccc(F)cc1Br ZINC000572134312 651875377 /nfs/dbraw/zinc/87/53/77/651875377.db2.gz ZGJLEKRHFCIAOG-CQSZACIVSA-N 1 0 375.282 2.340 20 0 GEADRO CC[N@H+](CCCNC(=O)N(C)[C@H](C)CS(=O)(=O)CC)C1CCCCC1 ZINC000651220859 651876115 /nfs/dbraw/zinc/87/61/15/651876115.db2.gz XXUKYLXUIACPKF-MRXNPFEDSA-N 1 0 375.579 2.496 20 0 GEADRO CSC1(CNC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCC1 ZINC000572201490 651878766 /nfs/dbraw/zinc/87/87/66/651878766.db2.gz IHWBKVAGOMALMK-HNNXBMFYSA-N 1 0 383.945 2.461 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCn1cc(Br)ccc1=O ZINC000572217039 651879178 /nfs/dbraw/zinc/87/91/78/651879178.db2.gz XOXGIRKHCMOZEL-CQSZACIVSA-N 1 0 399.333 2.030 20 0 GEADRO C[NH+](C)CCCOC1CCN(C(=O)c2nscc2Br)CC1 ZINC000651443600 651880440 /nfs/dbraw/zinc/88/04/40/651880440.db2.gz WXFTUPBMKHHTER-UHFFFAOYSA-N 1 0 376.320 2.479 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000572242481 651880642 /nfs/dbraw/zinc/88/06/42/651880642.db2.gz MLXJKIWUBAZDAZ-LLVKDONJSA-N 1 0 379.309 2.369 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(Cn3ncc4c3cccc4Br)CC2)C1 ZINC000738214654 651886638 /nfs/dbraw/zinc/88/66/38/651886638.db2.gz PVUJEQDDYZHMLF-OAHLLOKOSA-N 1 0 392.345 2.468 20 0 GEADRO C[C@@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ncc(Br)cn1 ZINC000572375902 651888347 /nfs/dbraw/zinc/88/83/47/651888347.db2.gz DNRKVYLHYXBHFF-SKDRFNHKSA-N 1 0 391.273 2.333 20 0 GEADRO O=C(CC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)Nc1cccc(C(F)(F)F)c1 ZINC000572394469 651889360 /nfs/dbraw/zinc/88/93/60/651889360.db2.gz BGDMGVYEDJRJKX-LBPRGKRZSA-N 1 0 378.416 2.448 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000572484229 651895565 /nfs/dbraw/zinc/89/55/65/651895565.db2.gz HWQUJYIVDXFWLE-XUJVJEKNSA-N 1 0 399.333 2.269 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000572556966 651899248 /nfs/dbraw/zinc/89/92/48/651899248.db2.gz CHCPMQLOZISOKW-LLVKDONJSA-N 1 0 381.311 2.438 20 0 GEADRO O=C(CC[NH2+]C[C@H](O)COC1CCOCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000572714505 651907259 /nfs/dbraw/zinc/90/72/59/651907259.db2.gz NFIHRFVVUPZUQN-HNNXBMFYSA-N 1 0 391.295 2.468 20 0 GEADRO CCOc1cc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc(Br)c1OC ZINC000651979018 651908770 /nfs/dbraw/zinc/90/87/70/651908770.db2.gz SIRHSVQLWJUOQL-CQSZACIVSA-N 1 0 385.302 2.107 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](C)[C@H](C)S(C)(=O)=O)C2)s1 ZINC000652031572 651910295 /nfs/dbraw/zinc/91/02/95/651910295.db2.gz PDQHVLYGJXXTCI-OWCLPIDISA-N 1 0 386.583 2.406 20 0 GEADRO C[N@H+](CC(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1)[C@H]1CCSC1 ZINC000616814553 651910529 /nfs/dbraw/zinc/91/05/29/651910529.db2.gz MDKQBRNHNUALHZ-HOCLYGCPSA-N 1 0 376.444 2.466 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)C2=O)ccc1Br ZINC000572759887 651910687 /nfs/dbraw/zinc/91/06/87/651910687.db2.gz XGLWQLVYEQGGNZ-HEHGZKQESA-N 1 0 394.313 2.367 20 0 GEADRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)nnn1-c1cccc(Br)c1 ZINC000652257251 651912802 /nfs/dbraw/zinc/91/28/02/651912802.db2.gz PETCXYZNASHCPS-XWIASGKRSA-N 1 0 378.274 2.253 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c(Br)c1 ZINC000652290364 651913063 /nfs/dbraw/zinc/91/30/63/651913063.db2.gz ZRMFAEQONPKYFG-UHFFFAOYSA-N 1 0 398.301 2.341 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1Br ZINC000652292336 651914290 /nfs/dbraw/zinc/91/42/90/651914290.db2.gz LDOJKACCNDCNAC-UHFFFAOYSA-N 1 0 398.301 2.341 20 0 GEADRO COc1cc(I)ccc1NC(=O)NCC1CC[NH2+]CC1 ZINC000572823195 651914665 /nfs/dbraw/zinc/91/46/65/651914665.db2.gz UVYBYUONVQOGKD-UHFFFAOYSA-N 1 0 389.237 2.421 20 0 GEADRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000652326796 651914798 /nfs/dbraw/zinc/91/47/98/651914798.db2.gz NJMIMCRWFIHKTR-BMIGLBTASA-N 1 0 397.324 2.223 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000652362471 651916775 /nfs/dbraw/zinc/91/67/75/651916775.db2.gz IAMYPTWSVMCWRB-QLFBSQMISA-N 1 0 397.317 2.143 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1Br ZINC000652634119 651920760 /nfs/dbraw/zinc/92/07/60/651920760.db2.gz QEWSPOLPOQYYEN-UHFFFAOYSA-N 1 0 384.274 2.032 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000617010847 651921002 /nfs/dbraw/zinc/92/10/02/651921002.db2.gz XMPIQGPSLRYTGE-JTQLQIEISA-N 1 0 396.285 2.383 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)CCCC[NH+](C)C)ccc1Cl ZINC000740711414 651921045 /nfs/dbraw/zinc/92/10/45/651921045.db2.gz WPNSDEAGSZTJMV-UHFFFAOYSA-N 1 0 375.922 2.004 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1=O ZINC000652735819 651921782 /nfs/dbraw/zinc/92/17/82/651921782.db2.gz UVAHSLWOEOBSTK-UHFFFAOYSA-N 1 0 383.279 2.321 20 0 GEADRO O=C(Cc1ccc(I)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000617106303 651925667 /nfs/dbraw/zinc/92/56/67/651925667.db2.gz ONQXSTBDFORXRP-HNNXBMFYSA-N 1 0 384.261 2.434 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000572975462 651926961 /nfs/dbraw/zinc/92/69/61/651926961.db2.gz VQDZARKFHWCJMG-ZDUSSCGKSA-N 1 0 396.329 2.222 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@](C)(O)CCC(C)C ZINC000740899849 651929464 /nfs/dbraw/zinc/92/94/64/651929464.db2.gz FSMXJVVKNXBVTO-WMLDXEAASA-N 1 0 391.965 2.481 20 0 GEADRO Cc1cc(Br)c2c(c1)C[N@H+](CCC(=O)N1CCN(C)CC1)CC2 ZINC000573024538 651929927 /nfs/dbraw/zinc/92/99/27/651929927.db2.gz QXILULLFCAWUQN-UHFFFAOYSA-N 1 0 380.330 2.280 20 0 GEADRO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000740913821 651930236 /nfs/dbraw/zinc/93/02/36/651930236.db2.gz JDTCUMRUQMJBLM-JMSVASOKSA-N 1 0 388.295 2.189 20 0 GEADRO CC(C)(CO)[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000573072616 651932628 /nfs/dbraw/zinc/93/26/28/651932628.db2.gz WNEGZDYYBYGSQU-MRXNPFEDSA-N 1 0 380.286 2.344 20 0 GEADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@]24C[NH2+]C[C@H]2COC4)C3)cs1 ZINC000653157960 651934505 /nfs/dbraw/zinc/93/45/05/651934505.db2.gz ROKSXPICWYTCKR-UGSOOPFHSA-N 1 0 375.519 2.301 20 0 GEADRO COc1ncc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000653181213 651935116 /nfs/dbraw/zinc/93/51/16/651935116.db2.gz CLACXAFPRYIFFT-WHOFXGATSA-N 1 0 398.301 2.211 20 0 GEADRO CC[C@@H](C(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1)[NH+](C)C ZINC000617276637 651935235 /nfs/dbraw/zinc/93/52/35/651935235.db2.gz LOZTZOAXJQMHLN-AWEZNQCLSA-N 1 0 397.317 2.006 20 0 GEADRO C[C@H](CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)n1cc(Br)cn1 ZINC000653181441 651935769 /nfs/dbraw/zinc/93/57/69/651935769.db2.gz GFINUERDWUFHNT-OCVGTWLNSA-N 1 0 399.333 2.342 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223427 651936424 /nfs/dbraw/zinc/93/64/24/651936424.db2.gz NBGCMBQDPDXJDT-UHFFFAOYSA-N 1 0 381.249 2.438 20 0 GEADRO C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000653240881 651936653 /nfs/dbraw/zinc/93/66/53/651936653.db2.gz UOQCAPMAKYJFSR-WFASDCNBSA-N 1 0 382.302 2.155 20 0 GEADRO C[C@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)[C@H]1CC[NH3+] ZINC000653236088 651936759 /nfs/dbraw/zinc/93/67/59/651936759.db2.gz ISEPLZWCROSIBE-RYUDHWBXSA-N 1 0 386.290 2.090 20 0 GEADRO CCO[C@@H]1CN(C(=O)CCc2ccc(OC)c(Br)c2)C[C@H]1C[NH3+] ZINC000653245539 651936903 /nfs/dbraw/zinc/93/69/03/651936903.db2.gz BHBWUVZIIQDLII-CZUORRHYSA-N 1 0 385.302 2.213 20 0 GEADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573181822 651939250 /nfs/dbraw/zinc/93/92/50/651939250.db2.gz OGNZFJGMFVDCFD-UONOGXRCSA-N 1 0 375.270 2.316 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000617344907 651939297 /nfs/dbraw/zinc/93/92/97/651939297.db2.gz ROUCBOSRHLZHSA-JTQLQIEISA-N 1 0 388.331 2.229 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000573223648 651942827 /nfs/dbraw/zinc/94/28/27/651942827.db2.gz TZNVBAZSDNYMMI-BXKDBHETSA-N 1 0 379.814 2.463 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CN2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)C1 ZINC000653520873 651946642 /nfs/dbraw/zinc/94/66/42/651946642.db2.gz HXBLUWOBVFVLEB-GHJWDPDVSA-N 1 0 392.297 2.478 20 0 GEADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCC[S@](=O)CC)CC1 ZINC000741416970 651948448 /nfs/dbraw/zinc/94/84/48/651948448.db2.gz JOFAWQANYOFUFS-RUZDIDTESA-N 1 0 386.949 2.372 20 0 GEADRO C[NH+]1CCC(NC(=S)N[C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000741487870 651951747 /nfs/dbraw/zinc/95/17/47/651951747.db2.gz FHEAFBLFQBMYIB-HNNXBMFYSA-N 1 0 380.945 2.394 20 0 GEADRO CCN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1CC[N@H+](C)C1 ZINC000617557679 651957052 /nfs/dbraw/zinc/95/70/52/651957052.db2.gz QJMONRUDNOMGMY-ZIAGYGMSSA-N 1 0 394.313 2.355 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000573461082 651958462 /nfs/dbraw/zinc/95/84/62/651958462.db2.gz NMQYSHRCKAVBHK-OKILXGFUSA-N 1 0 392.297 2.229 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000573491456 651960266 /nfs/dbraw/zinc/96/02/66/651960266.db2.gz LDGLGJSITKUBMK-ZDUSSCGKSA-N 1 0 396.340 2.104 20 0 GEADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000573528286 651961920 /nfs/dbraw/zinc/96/19/20/651961920.db2.gz APWFBIUDTFRBSH-CYBMUJFWSA-N 1 0 378.416 2.457 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@H](C)[NH2+]C3CC3)C2=O)ccc1Br ZINC000573562448 651965189 /nfs/dbraw/zinc/96/51/89/651965189.db2.gz IOKWQKYEXDGQHH-XHDPSFHLSA-N 1 0 380.286 2.120 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000617763434 651971124 /nfs/dbraw/zinc/97/11/24/651971124.db2.gz RGLKWAILDFIXFU-UHFFFAOYSA-N 1 0 388.354 2.014 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000617776197 651972454 /nfs/dbraw/zinc/97/24/54/651972454.db2.gz KDXNIMNYSTUOJK-KRWDZBQOSA-N 1 0 383.323 2.032 20 0 GEADRO COc1ccc(CCC(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1Br ZINC000573676607 651972591 /nfs/dbraw/zinc/97/25/91/651972591.db2.gz VRHFPGDOTJVMTJ-ZIAGYGMSSA-N 1 0 385.302 2.355 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000742286392 651973696 /nfs/dbraw/zinc/97/36/96/651973696.db2.gz PLZHDFHXABHGNT-UHFFFAOYSA-N 1 0 382.507 2.417 20 0 GEADRO CO[C@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1ccccc1Br ZINC000655069878 651975735 /nfs/dbraw/zinc/97/57/35/651975735.db2.gz FQCOMRRPMLZJAB-BBRMVZONSA-N 1 0 385.302 2.100 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(Cl)nc2)Cc2ccccc2C1 ZINC000742306142 651977471 /nfs/dbraw/zinc/97/74/71/651977471.db2.gz HQMVRMYEFPXONQ-UHFFFAOYSA-N 1 0 379.913 2.254 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)nc3sccn32)[C@@H](C)C1 ZINC000742303900 651977508 /nfs/dbraw/zinc/97/75/08/651977508.db2.gz MVZQPMARAADIBW-QWRGUYRKSA-N 1 0 376.935 2.400 20 0 GEADRO CO[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1Br ZINC000655121848 651979694 /nfs/dbraw/zinc/97/96/94/651979694.db2.gz QUMZQIBXCFRBRQ-CZUORRHYSA-N 1 0 385.302 2.100 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000655136782 651980855 /nfs/dbraw/zinc/98/08/55/651980855.db2.gz CDVXTQOEPQHRBC-HIFRSBDPSA-N 1 0 383.330 2.367 20 0 GEADRO COc1cc(C(=O)NCCC[N@H+](C)CCN(C)C)sc1Br ZINC000573827112 651982108 /nfs/dbraw/zinc/98/21/08/651982108.db2.gz HFVIACAAMZZYEB-UHFFFAOYSA-N 1 0 378.336 2.133 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000573864678 651983961 /nfs/dbraw/zinc/98/39/61/651983961.db2.gz VJHZXSKSZVDTLJ-RKDXNWHRSA-N 1 0 381.267 2.016 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000573890131 651985814 /nfs/dbraw/zinc/98/58/14/651985814.db2.gz GVMBFPJHZALWLZ-HIFRSBDPSA-N 1 0 392.301 2.048 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000573920140 651988887 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CCOc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Br ZINC000655632442 652001342 /nfs/dbraw/zinc/00/13/42/652001342.db2.gz LARZJMYFVHFXBU-TXEJJXNPSA-N 1 0 391.331 2.466 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655632095 652001494 /nfs/dbraw/zinc/00/14/94/652001494.db2.gz GLJUVCABTMSIFC-BJHJDKERSA-N 1 0 390.347 2.134 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCOc1ccc(Cl)cc1Cl ZINC000618304909 652003178 /nfs/dbraw/zinc/00/31/78/652003178.db2.gz CUIYYNFQTIBSHD-UHFFFAOYSA-N 1 0 390.311 2.241 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCc1ccccc1Br ZINC000618307094 652003529 /nfs/dbraw/zinc/00/35/29/652003529.db2.gz WICRJTAKTCDHPV-UHFFFAOYSA-N 1 0 398.345 2.250 20 0 GEADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000574151855 652004173 /nfs/dbraw/zinc/00/41/73/652004173.db2.gz UKGXBLBENZMRRH-MRXNPFEDSA-N 1 0 395.297 2.257 20 0 GEADRO Cc1sc2c(cccc2C)c1S(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574205149 652007751 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O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000574274388 652012540 /nfs/dbraw/zinc/01/25/40/652012540.db2.gz SNDPECVEKIIODJ-RMLUDKJBSA-N 1 0 395.232 2.252 20 0 GEADRO Cc1cnc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c(C)c1 ZINC000655831304 652012865 /nfs/dbraw/zinc/01/28/65/652012865.db2.gz HBCGBWJQRCLWON-UHFFFAOYSA-N 1 0 398.326 2.441 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655828590 652012895 /nfs/dbraw/zinc/01/28/95/652012895.db2.gz FRZHRTDJDUQGHE-SMDDNHRTSA-N 1 0 392.301 2.442 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)C(F)(F)F ZINC000655931022 652013529 /nfs/dbraw/zinc/01/35/29/652013529.db2.gz FOKORPPOFTTWRE-UWVGGRQHSA-N 1 0 377.329 2.267 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCCc2sccc21 ZINC000574297293 652014622 /nfs/dbraw/zinc/01/46/22/652014622.db2.gz HQUAZYHSACHLNP-OCCSQVGLSA-N 1 0 376.448 2.261 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccoc1Br ZINC000618370893 652014942 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CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc2c1C ZINC000574400603 652019002 /nfs/dbraw/zinc/01/90/02/652019002.db2.gz SJLJTIAUIJTWOG-JTQLQIEISA-N 1 0 385.511 2.187 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(CN2c3cc(Br)ccc3C(=O)C2=O)C1 ZINC000743399072 652019010 /nfs/dbraw/zinc/01/90/10/652019010.db2.gz KCKGQDAQVKADIK-GFCCVEGCSA-N 1 0 380.286 2.210 20 0 GEADRO O=C(NCCCc1c(Cl)cccc1Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000656030503 652019738 /nfs/dbraw/zinc/01/97/38/652019738.db2.gz UPGNZHMGWXIGDB-GOSISDBHSA-N 1 0 384.307 2.254 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000656030542 652019804 /nfs/dbraw/zinc/01/98/04/652019804.db2.gz VKUFLRLXBAIQSA-CHWSQXEVSA-N 1 0 386.323 2.486 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000656030545 652019819 /nfs/dbraw/zinc/01/98/19/652019819.db2.gz VKUFLRLXBAIQSA-STQMWFEESA-N 1 0 386.323 2.486 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000618539722 652022177 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C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@H](C)O1 ZINC000574620220 652032195 /nfs/dbraw/zinc/03/21/95/652032195.db2.gz JGDROUKJYKMZBT-PEGIJTEDSA-N 1 0 377.304 2.142 20 0 GEADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000618901674 652037259 /nfs/dbraw/zinc/03/72/59/652037259.db2.gz FNTBUJIHMOBDGN-GJZGRUSLSA-N 1 0 385.917 2.040 20 0 GEADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000574808494 652044983 /nfs/dbraw/zinc/04/49/83/652044983.db2.gz FLHJNUYOSYEWEM-RNCFNFMXSA-N 1 0 382.251 2.200 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000744454307 652048646 /nfs/dbraw/zinc/04/86/46/652048646.db2.gz JVGWUQFBKALPQR-HNNXBMFYSA-N 1 0 390.355 2.411 20 0 GEADRO CC[C@H](Cn1cncn1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000574882804 652049392 /nfs/dbraw/zinc/04/93/92/652049392.db2.gz WVPFEKPKNJCYRQ-HIFRSBDPSA-N 1 0 378.274 2.214 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCO[C@@]2(CCSC2)C1 ZINC000574913271 652051510 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20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(Br)c3F)[C@H]2C1 ZINC000657777911 652204766 /nfs/dbraw/zinc/20/47/66/652204766.db2.gz FIEWEHNGAWQWEI-GWCFXTLKSA-N 1 0 384.249 2.079 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000657806630 652207518 /nfs/dbraw/zinc/20/75/18/652207518.db2.gz OXPOIJPDJLPHGO-UHFFFAOYSA-N 1 0 390.228 2.220 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2C)CC1 ZINC000657805833 652207778 /nfs/dbraw/zinc/20/77/78/652207778.db2.gz FCCSLPGXKRRGOF-UHFFFAOYSA-N 1 0 386.265 2.389 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657854673 652211010 /nfs/dbraw/zinc/21/10/10/652211010.db2.gz DMCKOAVMCRNRJO-MFKMUULPSA-N 1 0 386.265 2.325 20 0 GEADRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000577734207 652211681 /nfs/dbraw/zinc/21/16/81/652211681.db2.gz VMSFWYOWTIRTKE-CQSZACIVSA-N 1 0 396.329 2.292 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1-n1cnnn1)C(C)(C)C[NH+](C)C ZINC000623019563 652215704 /nfs/dbraw/zinc/21/57/04/652215704.db2.gz YVHJHHRDEAONPG-NSHDSACASA-N 1 0 395.305 2.131 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc(Br)c[nH]c1=O ZINC000623021494 652216612 /nfs/dbraw/zinc/21/66/12/652216612.db2.gz SEDAHQUSGSUQLK-UHFFFAOYSA-N 1 0 394.269 2.459 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000748844219 652220103 /nfs/dbraw/zinc/22/01/03/652220103.db2.gz NIEQHGFOEISDIQ-LBPRGKRZSA-N 1 0 378.416 2.440 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000577840965 652220980 /nfs/dbraw/zinc/22/09/80/652220980.db2.gz UNJNQRWILXWUQR-UHFFFAOYSA-N 1 0 395.294 2.239 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000623060871 652221606 /nfs/dbraw/zinc/22/16/06/652221606.db2.gz QBYCKVBXEZTVSV-YPMHNXCESA-N 1 0 378.274 2.096 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000623054744 652221642 /nfs/dbraw/zinc/22/16/42/652221642.db2.gz YDTHKLRZCRRTRN-CYBMUJFWSA-N 1 0 378.274 2.096 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000623065007 652221788 /nfs/dbraw/zinc/22/17/88/652221788.db2.gz NFBDUQRBUSVFLT-OLZOCXBDSA-N 1 0 392.301 2.344 20 0 GEADRO COC[C@@H](O)C[NH2+]C1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000623075577 652222487 /nfs/dbraw/zinc/22/24/87/652222487.db2.gz MCLRZCMEICOHRV-HNNXBMFYSA-N 1 0 386.290 2.042 20 0 GEADRO O=C(NCC[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000577859291 652223259 /nfs/dbraw/zinc/22/32/59/652223259.db2.gz SDSYBQILPZTPLC-INIZCTEOSA-N 1 0 393.281 2.208 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC2CCN(CC(F)F)CC2)cc1Cl ZINC000623089609 652224510 /nfs/dbraw/zinc/22/45/10/652224510.db2.gz OUPUHAMHDQCBMI-UHFFFAOYSA-N 1 0 381.876 2.054 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCCc1cn(C)cn1 ZINC000658004329 652229028 /nfs/dbraw/zinc/22/90/28/652229028.db2.gz XZLPLIHEYAJLOM-UHFFFAOYSA-N 1 0 399.676 2.442 20 0 GEADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577950985 652231523 /nfs/dbraw/zinc/23/15/23/652231523.db2.gz PKDVSIGHHWJAJN-NWDGAFQWSA-N 1 0 377.897 2.352 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)C1(c2ccccc2Br)CC1 ZINC000577961841 652232671 /nfs/dbraw/zinc/23/26/71/652232671.db2.gz DXSOHIUFMUELTF-SFHVURJKSA-N 1 0 379.298 2.054 20 0 GEADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@H]2CCCO[C@H]21 ZINC000658092259 652235742 /nfs/dbraw/zinc/23/57/42/652235742.db2.gz LEHFCPRDCNSGOC-BPLDGKMQSA-N 1 0 382.302 2.367 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=S)NCCC[NH+](C)C ZINC000749110026 652236210 /nfs/dbraw/zinc/23/62/10/652236210.db2.gz OCJLXSLJCDGJIV-UHFFFAOYSA-N 1 0 387.347 2.112 20 0 GEADRO CC(C)[C@H](Cn1cccn1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658095204 652236489 /nfs/dbraw/zinc/23/64/89/652236489.db2.gz FCHQBUAETDAEHY-HNNXBMFYSA-N 1 0 380.290 2.085 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1Br ZINC000658122679 652238271 /nfs/dbraw/zinc/23/82/71/652238271.db2.gz HICWRDLPYZJLRB-GFCCVEGCSA-N 1 0 398.301 2.385 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000578055055 652239461 /nfs/dbraw/zinc/23/94/61/652239461.db2.gz YSFPKRQWEVPACP-LLVKDONJSA-N 1 0 396.340 2.118 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)c1ccncc1 ZINC000749296299 652244655 /nfs/dbraw/zinc/24/46/55/652244655.db2.gz OFJZBRDYRSDYAC-WFASDCNBSA-N 1 0 382.917 2.493 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)N1CCN(c2cccc(Br)c2)CC1 ZINC000578122128 652245314 /nfs/dbraw/zinc/24/53/14/652245314.db2.gz UZHBPPWTSZSNNQ-UHFFFAOYSA-N 1 0 381.318 2.280 20 0 GEADRO C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCC[NH2+]1 ZINC000578126553 652245860 /nfs/dbraw/zinc/24/58/60/652245860.db2.gz YNOVIJYOXMJTLH-AAEUAGOBSA-N 1 0 380.341 2.392 20 0 GEADRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658254039 652248361 /nfs/dbraw/zinc/24/83/61/652248361.db2.gz XTJRUSMVYYPYJF-QCZZGDTMSA-N 1 0 389.315 2.051 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)sc1C(F)(F)F ZINC000578167897 652249480 /nfs/dbraw/zinc/24/94/80/652249480.db2.gz UFUHNATWBFXRSW-SNVBAGLBSA-N 1 0 378.420 2.433 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)sc1C(F)(F)F ZINC000578167896 652249805 /nfs/dbraw/zinc/24/98/05/652249805.db2.gz UFUHNATWBFXRSW-JTQLQIEISA-N 1 0 378.420 2.433 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749395713 652250531 /nfs/dbraw/zinc/25/05/31/652250531.db2.gz HCSVMTZVMOBFMH-ZDUSSCGKSA-N 1 0 393.289 2.029 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000623638026 652251151 /nfs/dbraw/zinc/25/11/51/652251151.db2.gz RPUSJUPMJDVYSX-UHFFFAOYSA-N 1 0 382.249 2.229 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000658312360 652251302 /nfs/dbraw/zinc/25/13/02/652251302.db2.gz IURZYGFDUYNLAC-SUMWQHHRSA-N 1 0 387.318 2.157 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000658312358 652251316 /nfs/dbraw/zinc/25/13/16/652251316.db2.gz IURZYGFDUYNLAC-DYVFJYSZSA-N 1 0 387.318 2.157 20 0 GEADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000578191035 652251786 /nfs/dbraw/zinc/25/17/86/652251786.db2.gz OEEQCZCCNBUPLD-MLGOLLRUSA-N 1 0 377.242 2.115 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000578192913 652251927 /nfs/dbraw/zinc/25/19/27/652251927.db2.gz FBQHITZEDVUHRF-UHFFFAOYSA-N 1 0 390.709 2.223 20 0 GEADRO Brc1cc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cs1 ZINC000623653897 652252100 /nfs/dbraw/zinc/25/21/00/652252100.db2.gz QMFKTVHAQDPFER-LLVKDONJSA-N 1 0 379.287 2.317 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000623671350 652252893 /nfs/dbraw/zinc/25/28/93/652252893.db2.gz UCNDBTOBHLXQKR-ZDUSSCGKSA-N 1 0 383.290 2.089 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC(F)(F)C(C)(C)C)CC1 ZINC000658336438 652254599 /nfs/dbraw/zinc/25/45/99/652254599.db2.gz FGYPNKTZJZSADZ-UHFFFAOYSA-N 1 0 378.489 2.451 20 0 GEADRO CN1CCOC[C@@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000623713407 652256168 /nfs/dbraw/zinc/25/61/68/652256168.db2.gz ZYIGYDYWEQWAJU-VIFPVBQESA-N 1 0 379.096 2.027 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc(OC)c1OCC(F)F ZINC000623720499 652256404 /nfs/dbraw/zinc/25/64/04/652256404.db2.gz LRZUVJJCSJTOFB-ZYHUDNBSSA-N 1 0 379.425 2.013 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1COCCN1C ZINC000623714209 652256466 /nfs/dbraw/zinc/25/64/66/652256466.db2.gz UXTHJONMPPLXST-QGZVFWFLSA-N 1 0 379.302 2.363 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000623735252 652257788 /nfs/dbraw/zinc/25/77/88/652257788.db2.gz OZQBIFDMGRKOCT-ZWNOBZJWSA-N 1 0 383.290 2.277 20 0 GEADRO COc1cc(C[NH2+]CCN2CC[C@@H](O)C2)cc(Br)c1OC(F)F ZINC000623758102 652258714 /nfs/dbraw/zinc/25/87/14/652258714.db2.gz QAEBEVKOHLIDEE-LLVKDONJSA-N 1 0 395.244 2.215 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000658374285 652259331 /nfs/dbraw/zinc/25/93/31/652259331.db2.gz MFCMFTJNFPQWGS-YGRLFVJLSA-N 1 0 377.279 2.102 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)CC[C@@H]1[NH3+] ZINC000658375386 652259521 /nfs/dbraw/zinc/25/95/21/652259521.db2.gz HCJPQJRFTCNGTC-YGRLFVJLSA-N 1 0 379.295 2.477 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@H]1CC12CC[NH2+]CC2 ZINC000658380002 652260631 /nfs/dbraw/zinc/26/06/31/652260631.db2.gz CWWCCTPEFRSIGT-ZDUSSCGKSA-N 1 0 377.279 2.150 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000658379645 652260724 /nfs/dbraw/zinc/26/07/24/652260724.db2.gz VNXMJILVFPGHAK-JQWIXIFHSA-N 1 0 377.304 2.348 20 0 GEADRO C[C@H]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000658382353 652261747 /nfs/dbraw/zinc/26/17/47/652261747.db2.gz DAHKRXVGXIHOPK-JQWIXIFHSA-N 1 0 379.295 2.335 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)CCc2ccccc2Cl)CC1 ZINC000658382549 652262495 /nfs/dbraw/zinc/26/24/95/652262495.db2.gz OYBQUHXJOWBJGY-QZTJIDSGSA-N 1 0 386.945 2.431 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000623838457 652264308 /nfs/dbraw/zinc/26/43/08/652264308.db2.gz WZFWJSYDZWAXOQ-KRWDZBQOSA-N 1 0 379.302 2.099 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658390798 652264381 /nfs/dbraw/zinc/26/43/81/652264381.db2.gz WACFJUKOVMUINA-UHFFFAOYSA-N 1 0 376.906 2.305 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cnc(C)s2)cc1F ZINC000658392512 652264490 /nfs/dbraw/zinc/26/44/90/652264490.db2.gz LKURKTAFGKSTCP-JSGCOSHPSA-N 1 0 385.486 2.023 20 0 GEADRO C[C@@H]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@H](C[NH3+])C1 ZINC000658399443 652264976 /nfs/dbraw/zinc/26/49/76/652264976.db2.gz ZTGFOLRNCWKUOI-MFKMUULPSA-N 1 0 379.295 2.477 20 0 GEADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000658394842 652265292 /nfs/dbraw/zinc/26/52/92/652265292.db2.gz OJOJMJPLONOPDX-UHFFFAOYSA-N 1 0 379.707 2.355 20 0 GEADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000623878500 652265532 /nfs/dbraw/zinc/26/55/32/652265532.db2.gz JSYRGFCHPTXBHZ-NSHDSACASA-N 1 0 378.826 2.048 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NCC12CC(C1)C[NH2+]2 ZINC000658406632 652266512 /nfs/dbraw/zinc/26/65/12/652266512.db2.gz FWCMLZZVTKMSFC-UHFFFAOYSA-N 1 0 379.707 2.274 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000658406374 652266685 /nfs/dbraw/zinc/26/66/85/652266685.db2.gz LDHLUSOBBZDBNB-TZMCWYRMSA-N 1 0 378.922 2.405 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[C@H]1F ZINC000658408683 652267586 /nfs/dbraw/zinc/26/75/86/652267586.db2.gz YGXKVCKUHCNVLY-PSASIEDQSA-N 1 0 389.649 2.301 20 0 GEADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000658412061 652268273 /nfs/dbraw/zinc/26/82/73/652268273.db2.gz SLQBGVXJELIYEZ-SECBINFHSA-N 1 0 390.328 2.459 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000624064383 652268335 /nfs/dbraw/zinc/26/83/35/652268335.db2.gz FIAJPJAZLFVTDT-USXIJHARSA-N 1 0 381.314 2.419 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000578394894 652268782 /nfs/dbraw/zinc/26/87/82/652268782.db2.gz IMLJQXDGALSBNJ-UHFFFAOYSA-N 1 0 389.905 2.022 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000578432354 652271640 /nfs/dbraw/zinc/27/16/40/652271640.db2.gz HGXRELWKLHOVLS-CYBMUJFWSA-N 1 0 394.313 2.185 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000749899266 652271861 /nfs/dbraw/zinc/27/18/61/652271861.db2.gz RRNDWCYMMKISGY-JKSUJKDBSA-N 1 0 380.945 2.394 20 0 GEADRO C[NH+](C)CCOC1CCN(Cn2c3cc(Br)ccc3oc2=O)CC1 ZINC000749953922 652275212 /nfs/dbraw/zinc/27/52/12/652275212.db2.gz KBTKTMZFHSDSEJ-UHFFFAOYSA-N 1 0 398.301 2.357 20 0 GEADRO CCN(C(=O)C(=O)N1CCc2ccc(Br)cc21)[C@@H]1CC[N@H+](CC)C1 ZINC000658467559 652276923 /nfs/dbraw/zinc/27/69/23/652276923.db2.gz PCRJASLDCNPFGU-OAHLLOKOSA-N 1 0 394.313 2.281 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+](CCCCO)CC2)cc1OC ZINC000750055881 652280403 /nfs/dbraw/zinc/28/04/03/652280403.db2.gz ZAQNAMUNXJEEEB-UHFFFAOYSA-N 1 0 387.318 2.356 20 0 GEADRO CN1CCN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000624357125 652283151 /nfs/dbraw/zinc/28/31/51/652283151.db2.gz GURPCWPXHQYDHW-OAHLLOKOSA-N 1 0 377.535 2.101 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000578618489 652283212 /nfs/dbraw/zinc/28/32/12/652283212.db2.gz BLKYVRJGWAWTHG-DVOMOZLQSA-N 1 0 387.318 2.017 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000624362237 652283295 /nfs/dbraw/zinc/28/32/95/652283295.db2.gz LJXCITPZECBYLQ-GXFFZTMASA-N 1 0 377.279 2.269 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000750164923 652284272 /nfs/dbraw/zinc/28/42/72/652284272.db2.gz NFDDTVVHWDKYNN-UHFFFAOYSA-N 1 0 389.880 2.274 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000624379297 652285121 /nfs/dbraw/zinc/28/51/21/652285121.db2.gz IEEQTITYSKEJEP-CYBMUJFWSA-N 1 0 377.279 2.460 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@H]1CC[NH2+]C12CCC2 ZINC000624379496 652285131 /nfs/dbraw/zinc/28/51/31/652285131.db2.gz SWWTUIRQILNAFG-ZDUSSCGKSA-N 1 0 377.279 2.292 20 0 GEADRO Cc1cc(Br)c(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)cc1Cl ZINC000658540846 652285492 /nfs/dbraw/zinc/28/54/92/652285492.db2.gz BYAFWBIDXLORDH-UHFFFAOYSA-N 1 0 388.693 2.369 20 0 GEADRO CCc1ccc(-c2csc(NC(=O)C(=O)N(C)CC3C[NH+](C)C3)n2)s1 ZINC000658539497 652285645 /nfs/dbraw/zinc/28/56/45/652285645.db2.gz CFUBPNQRGWXIMB-UHFFFAOYSA-N 1 0 378.523 2.393 20 0 GEADRO Cc1ccc(-c2nc(NC(=O)C(=O)N(C)CC3C[NH+](C)C3)sc2C)s1 ZINC000658541060 652285698 /nfs/dbraw/zinc/28/56/98/652285698.db2.gz HYBAZKHJSMDRLY-UHFFFAOYSA-N 1 0 378.523 2.447 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000624390604 652286471 /nfs/dbraw/zinc/28/64/71/652286471.db2.gz DYNXCJIRUYGTEB-GXSJLCMTSA-N 1 0 386.823 2.496 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2noc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000624391176 652287742 /nfs/dbraw/zinc/28/77/42/652287742.db2.gz RDFQRAXWLVXMBA-JQWIXIFHSA-N 1 0 377.388 2.117 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000578731569 652289039 /nfs/dbraw/zinc/28/90/39/652289039.db2.gz GWRJOXLPZFNKEM-JTQLQIEISA-N 1 0 380.329 2.027 20 0 GEADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@@H]1C[NH2+]CCC1(F)F ZINC000578729992 652289377 /nfs/dbraw/zinc/28/93/77/652289377.db2.gz GJUXEJHZVSBIQK-CMPLNLGQSA-N 1 0 394.191 2.318 20 0 GEADRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C[NH2+]1 ZINC000624405214 652291030 /nfs/dbraw/zinc/29/10/30/652291030.db2.gz GACDAMJODQRLSX-UMVBOHGHSA-N 1 0 388.917 2.174 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000624414808 652292428 /nfs/dbraw/zinc/29/24/28/652292428.db2.gz DYPXNCOFNCBZHX-GXFFZTMASA-N 1 0 384.395 2.132 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(Br)ccc1F)C2 ZINC000624411944 652292446 /nfs/dbraw/zinc/29/24/46/652292446.db2.gz AXLURMWBWNFKFX-OKILXGFUSA-N 1 0 377.279 2.208 20 0 GEADRO COc1cc2[nH+]ccc(N3CCO[C@@H](CC(N)=O)C3)c2cc1Br ZINC000624710073 652300084 /nfs/dbraw/zinc/30/00/84/652300084.db2.gz ZDABBNSGJVFJHW-JTQLQIEISA-N 1 0 380.242 2.087 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1cccn2c(I)cnc12)C1CC1 ZINC000750609856 652300039 /nfs/dbraw/zinc/30/00/39/652300039.db2.gz RIXYDUMWAAWQOB-GFCCVEGCSA-N 1 0 398.248 2.009 20 0 GEADRO CCC[NH2+][C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000578863049 652300228 /nfs/dbraw/zinc/30/02/28/652300228.db2.gz LMYQBGJSNJZTRC-LBPRGKRZSA-N 1 0 393.962 2.013 20 0 GEADRO CC[N@H+](CC(=O)N[C@@](C)(C(=O)OC)c1cccc(Br)c1)C1CC1 ZINC000750864017 652312109 /nfs/dbraw/zinc/31/21/09/652312109.db2.gz CZQDXDKSCOWNTK-QGZVFWFLSA-N 1 0 383.286 2.438 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000658778789 652312872 /nfs/dbraw/zinc/31/28/72/652312872.db2.gz PZTNLXGFJAYXLH-SECBINFHSA-N 1 0 390.228 2.266 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000658778162 652313128 /nfs/dbraw/zinc/31/31/28/652313128.db2.gz KZDXOAKMFYQJLF-LLVKDONJSA-N 1 0 375.803 2.480 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C)c(Br)cc2F)C1 ZINC000658785326 652313997 /nfs/dbraw/zinc/31/39/97/652313997.db2.gz UXOVXCMUCJORAT-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cccnc1OCC(F)F ZINC000625060741 652322017 /nfs/dbraw/zinc/32/20/17/652322017.db2.gz JSXNXCSRKBYPSM-UHFFFAOYSA-N 1 0 377.457 2.220 20 0 GEADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000751070875 652322612 /nfs/dbraw/zinc/32/26/12/652322612.db2.gz AYNPEVCNRZBPOY-CYBMUJFWSA-N 1 0 393.359 2.106 20 0 GEADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000579225026 652326764 /nfs/dbraw/zinc/32/67/64/652326764.db2.gz VTYZLXUTQOIZCY-ZYHUDNBSSA-N 1 0 376.810 2.400 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000579237511 652327737 /nfs/dbraw/zinc/32/77/37/652327737.db2.gz QWKLXWCKESEWCD-LLVKDONJSA-N 1 0 385.306 2.123 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625192513 652330327 /nfs/dbraw/zinc/33/03/27/652330327.db2.gz JDDBHHMLWIRUQR-RDJZCZTQSA-N 1 0 396.329 2.091 20 0 GEADRO NC(=O)C[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625203247 652330953 /nfs/dbraw/zinc/33/09/53/652330953.db2.gz FRJFBWPBEGFKEN-NHYWBVRUSA-N 1 0 380.286 2.290 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1c1ccc(Br)cc1 ZINC000579356013 652333672 /nfs/dbraw/zinc/33/36/72/652333672.db2.gz COIDAJJBULZMDL-XHSDSOJGSA-N 1 0 395.297 2.306 20 0 GEADRO C[NH+](C)C[C@H](CNC(=O)[C@@]12CCC(=O)N1CCS2)c1ccc(Cl)cc1 ZINC000579363002 652334169 /nfs/dbraw/zinc/33/41/69/652334169.db2.gz ALOMAQUDNSRMAX-KSSFIOAISA-N 1 0 381.929 2.167 20 0 GEADRO CCS(=O)(=O)C1(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000659020894 652337305 /nfs/dbraw/zinc/33/73/05/652337305.db2.gz CRBDQXQJYWBYMY-UHFFFAOYSA-N 1 0 379.404 2.253 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(F)c(Br)c1F ZINC000659046862 652337982 /nfs/dbraw/zinc/33/79/82/652337982.db2.gz CACUUEZQLXNYPO-UHFFFAOYSA-N 1 0 377.233 2.144 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000579450611 652338713 /nfs/dbraw/zinc/33/87/13/652338713.db2.gz XVLJFDDSRHJOOO-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)s1 ZINC000579463550 652339686 /nfs/dbraw/zinc/33/96/86/652339686.db2.gz ZCAIOFZHKNIMNZ-NSHDSACASA-N 1 0 394.440 2.108 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659078646 652340430 /nfs/dbraw/zinc/34/04/30/652340430.db2.gz VRQQPRYQSONVQH-UHFFFAOYSA-N 1 0 378.217 2.300 20 0 GEADRO CN1C(=O)C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579479432 652340686 /nfs/dbraw/zinc/34/06/86/652340686.db2.gz QHIORVVWEFOILH-DUFXMDAXSA-N 1 0 377.794 2.097 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659085364 652341544 /nfs/dbraw/zinc/34/15/44/652341544.db2.gz VYHOVAIZEOQSHC-VIFPVBQESA-N 1 0 390.228 2.253 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659085363 652341600 /nfs/dbraw/zinc/34/16/00/652341600.db2.gz VYHOVAIZEOQSHC-SECBINFHSA-N 1 0 390.228 2.253 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1F)C1CCCC1 ZINC000659087575 652342428 /nfs/dbraw/zinc/34/24/28/652342428.db2.gz OQXAPNQKDMWIIO-LLVKDONJSA-N 1 0 390.228 2.300 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000659093352 652342957 /nfs/dbraw/zinc/34/29/57/652342957.db2.gz OFQVIUDQWMOFQH-UHFFFAOYSA-N 1 0 397.317 2.184 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659093548 652343041 /nfs/dbraw/zinc/34/30/41/652343041.db2.gz WVRQGFFFQAACLK-UHFFFAOYSA-N 1 0 392.681 2.245 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659090741 652343079 /nfs/dbraw/zinc/34/30/79/652343079.db2.gz BJCXZPNIOQUQSF-UHFFFAOYSA-N 1 0 382.302 2.269 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000659104731 652344041 /nfs/dbraw/zinc/34/40/41/652344041.db2.gz PSDOMLMDNUGIRL-UHFFFAOYSA-N 1 0 376.869 2.270 20 0 GEADRO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000579582117 652344980 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[NH3+]Cc1cc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)ccn1 ZINC000659359304 652354979 /nfs/dbraw/zinc/35/49/79/652354979.db2.gz YWKWGEJHXQRKPM-UHFFFAOYSA-N 1 0 375.270 2.265 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)c1cn(C3CC[NH2+]CC3)nn1)C2 ZINC000659388172 652356073 /nfs/dbraw/zinc/35/60/73/652356073.db2.gz YPWDPQGQBRMOCG-UHFFFAOYSA-N 1 0 390.285 2.430 20 0 GEADRO COc1cc(C(=O)NCCCN2CCC[N@H+](C)CC2)ccc1Br ZINC000625569885 652356314 /nfs/dbraw/zinc/35/63/14/652356314.db2.gz ANUWAYBQOIFCHK-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000579832544 652356788 /nfs/dbraw/zinc/35/67/88/652356788.db2.gz HVGDKHZHOVLQEN-SJORKVTESA-N 1 0 388.917 2.003 20 0 GEADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc(I)c[nH]3)cc2C1 ZINC000579835784 652356909 /nfs/dbraw/zinc/35/69/09/652356909.db2.gz OWAJGEVXIABPRK-SNVBAGLBSA-N 1 0 382.205 2.083 20 0 GEADRO C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1cc2c(cc1Br)OCCO2 ZINC000659439081 652357751 /nfs/dbraw/zinc/35/77/51/652357751.db2.gz 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376.906 2.256 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000627827845 652440173 /nfs/dbraw/zinc/44/01/73/652440173.db2.gz KFAGIOCGFDSQKV-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1Br ZINC000627827668 652440175 /nfs/dbraw/zinc/44/01/75/652440175.db2.gz GAJOWUHHRGHYGG-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000627828887 652440626 /nfs/dbraw/zinc/44/06/26/652440626.db2.gz NXQHQTRXHUZNTP-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO O=S1(=O)CCc2cc(C[NH2+]C[C@H](O)COc3ccccc3Cl)ccc21 ZINC000582236119 652441421 /nfs/dbraw/zinc/44/14/21/652441421.db2.gz AMIDBJQIYQYBIT-HNNXBMFYSA-N 1 0 381.881 2.199 20 0 GEADRO C[NH+](C)CCCCCOC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000754681381 652442158 /nfs/dbraw/zinc/44/21/58/652442158.db2.gz IYACEQAFTNRQSP-UHFFFAOYSA-N 1 0 388.555 2.350 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cnns1)c1ccc(Cl)c(Cl)c1 ZINC000627910904 652442400 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GEADRO O[C@H](C[NH2+]CCCn1ccnn1)COc1ccc(Cl)cc1Br ZINC000582416474 652449326 /nfs/dbraw/zinc/44/93/26/652449326.db2.gz WSNFGGILNAPGPR-GFCCVEGCSA-N 1 0 389.681 2.114 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662156426 652449413 /nfs/dbraw/zinc/44/94/13/652449413.db2.gz LRWPTBGAAVVTOE-MRXNPFEDSA-N 1 0 396.329 2.227 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662155104 652449534 /nfs/dbraw/zinc/44/95/34/652449534.db2.gz HPACPNLNSCPNSH-CXAGYDPISA-N 1 0 396.329 2.307 20 0 GEADRO Cc1cc(NC(=O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000662156461 652449567 /nfs/dbraw/zinc/44/95/67/652449567.db2.gz MDNYSOKBRDGCTH-INIZCTEOSA-N 1 0 396.329 2.227 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC000582455710 652450860 /nfs/dbraw/zinc/45/08/60/652450860.db2.gz IGGZRZDKFQTOSZ-UHFFFAOYSA-N 1 0 380.341 2.431 20 0 GEADRO COc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1Br ZINC000628128358 652452562 /nfs/dbraw/zinc/45/25/62/652452562.db2.gz BAXYSDASXDULCM-UHFFFAOYSA-N 1 0 383.286 2.395 20 0 GEADRO Cc1cccc(CC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1Br ZINC000628146115 652453205 /nfs/dbraw/zinc/45/32/05/652453205.db2.gz DWLRPUAYTFZQKH-INIZCTEOSA-N 1 0 381.314 2.358 20 0 GEADRO C[NH+](C)CCC[C@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2)CCO1 ZINC000662325134 652455572 /nfs/dbraw/zinc/45/55/72/652455572.db2.gz IKEJQQMHAUNAFL-JKSUJKDBSA-N 1 0 384.318 2.018 20 0 GEADRO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662332945 652456285 /nfs/dbraw/zinc/45/62/85/652456285.db2.gz ZACPNQVWGIPMNX-FZMZJTMJSA-N 1 0 381.826 2.387 20 0 GEADRO CN([C@H](C[NH3+])C(F)(F)F)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000662332182 652456359 /nfs/dbraw/zinc/45/63/59/652456359.db2.gz NYMGWNCXXKTTSG-VXGBXAGGSA-N 1 0 380.208 2.376 20 0 GEADRO CC[NH2+]CCCNC(=O)Nc1cc(OC)ccc1I ZINC000582593730 652456318 /nfs/dbraw/zinc/45/63/18/652456318.db2.gz RSWMDMUPGJYXNQ-UHFFFAOYSA-N 1 0 377.226 2.421 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662347485 652456773 /nfs/dbraw/zinc/45/67/73/652456773.db2.gz GEZDEGAXOCLWIV-LBPRGKRZSA-N 1 0 393.285 2.400 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000662402567 652459360 /nfs/dbraw/zinc/45/93/60/652459360.db2.gz CBUBROQGEVPKMN-BHTHQVBYSA-N 1 0 382.302 2.426 20 0 GEADRO O=C(NCCOc1cccc(Cl)c1Cl)c1cnnn1C1CC[NH2+]CC1 ZINC000662407343 652459364 /nfs/dbraw/zinc/45/93/64/652459364.db2.gz YSWQNPCVQIZFKU-UHFFFAOYSA-N 1 0 384.267 2.318 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000628495693 652459675 /nfs/dbraw/zinc/45/96/75/652459675.db2.gz XSGYZVRRUPOCQK-CYBMUJFWSA-N 1 0 378.441 2.058 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000628496618 652459905 /nfs/dbraw/zinc/45/99/05/652459905.db2.gz VKBJMPGOZUYNSC-ZDUSSCGKSA-N 1 0 388.555 2.187 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000582715236 652460295 /nfs/dbraw/zinc/46/02/95/652460295.db2.gz ADZPIRMNJPVBDE-UKRRQHHQSA-N 1 0 381.318 2.408 20 0 GEADRO CN(Cc1cc(Br)ccc1F)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662428533 652460512 /nfs/dbraw/zinc/46/05/12/652460512.db2.gz FJGJQRMUMWIRRE-UHFFFAOYSA-N 1 0 396.264 2.376 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C[C@H](O)C[NH+]1CCCC1 ZINC000755207050 652460526 /nfs/dbraw/zinc/46/05/26/652460526.db2.gz NRWKROBDVGWHIL-CQSZACIVSA-N 1 0 377.348 2.416 20 0 GEADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000755221143 652460563 /nfs/dbraw/zinc/46/05/63/652460563.db2.gz VIYRDODKKKMZMA-UHFFFAOYSA-N 1 0 383.345 2.409 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000582846331 652463882 /nfs/dbraw/zinc/46/38/82/652463882.db2.gz JCMFLNHPUBOXNH-GFCCVEGCSA-N 1 0 394.273 2.444 20 0 GEADRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662507910 652465168 /nfs/dbraw/zinc/46/51/68/652465168.db2.gz ZIPCAZIRDQOQAJ-AWEZNQCLSA-N 1 0 378.519 2.376 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000662517547 652465704 /nfs/dbraw/zinc/46/57/04/652465704.db2.gz JGBDOBPAHRNUHW-QWHCGFSZSA-N 1 0 377.794 2.270 20 0 GEADRO CC(C)[NH2+]CC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000662528213 652466017 /nfs/dbraw/zinc/46/60/17/652466017.db2.gz KXDHXAZBDUIFPW-UHFFFAOYSA-N 1 0 381.274 2.241 20 0 GEADRO NC(=O)C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1F)C1CCOCC1 ZINC000582908479 652466391 /nfs/dbraw/zinc/46/63/91/652466391.db2.gz ZRHQGRNYVZFQKK-CYBMUJFWSA-N 1 0 377.229 2.488 20 0 GEADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000662544915 652467302 /nfs/dbraw/zinc/46/73/02/652467302.db2.gz HQDDOPALRBFVLO-HNNXBMFYSA-N 1 0 394.313 2.122 20 0 GEADRO C[NH+]1CCC(C(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)CC1 ZINC000628681675 652468211 /nfs/dbraw/zinc/46/82/11/652468211.db2.gz LCKOBFDUTSCUDO-SFHVURJKSA-N 1 0 381.314 2.127 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000582963217 652468745 /nfs/dbraw/zinc/46/87/45/652468745.db2.gz LYEQZCRPFPVWTJ-SECBINFHSA-N 1 0 377.080 2.431 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000628750731 652469952 /nfs/dbraw/zinc/46/99/52/652469952.db2.gz NPNFPUFSDPAPBU-ZDUSSCGKSA-N 1 0 392.301 2.492 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000628750221 652470023 /nfs/dbraw/zinc/47/00/23/652470023.db2.gz RESWMMDTQSYPAQ-NSHDSACASA-N 1 0 396.285 2.242 20 0 GEADRO COc1ccnc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1F ZINC000662669105 652470426 /nfs/dbraw/zinc/47/04/26/652470426.db2.gz VHDTXVSCEPHXPL-INIZCTEOSA-N 1 0 382.233 2.482 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000583025176 652471625 /nfs/dbraw/zinc/47/16/25/652471625.db2.gz RCFNLXSZTOWQFV-RQJHMYQMSA-N 1 0 375.210 2.482 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000662718032 652471579 /nfs/dbraw/zinc/47/15/79/652471579.db2.gz HZXRIWVKGHZJMU-OKZIQPOMSA-N 1 0 384.307 2.235 20 0 GEADRO Cc1c(C(=O)NCC[C@@H]([NH3+])C(C)C)nnn1-c1cccc(Br)c1 ZINC000662726247 652471760 /nfs/dbraw/zinc/47/17/60/652471760.db2.gz GYWINMJPIPMYNS-CQSZACIVSA-N 1 0 380.290 2.441 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000662734410 652472372 /nfs/dbraw/zinc/47/23/72/652472372.db2.gz AHXSDMQWRFMLPD-HZPDHXFCSA-N 1 0 394.313 2.201 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc(Br)c(C)c2)CC1 ZINC000662743274 652472389 /nfs/dbraw/zinc/47/23/89/652472389.db2.gz MVYWIHVHHDDVQH-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc(Br)cs2)CC1 ZINC000662745927 652472868 /nfs/dbraw/zinc/47/28/68/652472868.db2.gz PXWAMFYSFNNQNM-UHFFFAOYSA-N 1 0 388.331 2.231 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662750555 652473127 /nfs/dbraw/zinc/47/31/27/652473127.db2.gz NOSLIXCCFJOSMG-NSHDSACASA-N 1 0 393.285 2.289 20 0 GEADRO N[C@@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccccc1Br ZINC000662764530 652473581 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COc1cc(C(=O)Nc2nn(C)c(C)c2C[NH3+])cc(OC)c1Br ZINC000662838343 652476249 /nfs/dbraw/zinc/47/62/49/652476249.db2.gz MOGZCFXGCUKYAY-UHFFFAOYSA-N 1 0 383.246 2.219 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)CN1CSCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968733 652476480 /nfs/dbraw/zinc/47/64/80/652476480.db2.gz NHHZKDGVQJAFLE-ZDUSSCGKSA-N 1 0 376.309 2.245 20 0 GEADRO COC[C@]1(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CC[NH2+]C1 ZINC000662862465 652476563 /nfs/dbraw/zinc/47/65/63/652476563.db2.gz PQEPJAIWWKBOSJ-SFHVURJKSA-N 1 0 392.297 2.441 20 0 GEADRO Cn1cc(C[C@@H](O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000628969172 652476951 /nfs/dbraw/zinc/47/69/51/652476951.db2.gz OVIYZEUQUATBQZ-JKSUJKDBSA-N 1 0 385.295 2.049 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H](C)C[NH2+]C ZINC000662958533 652479354 /nfs/dbraw/zinc/47/93/54/652479354.db2.gz DXVCYWUHLMDZBJ-WFASDCNBSA-N 1 0 399.333 2.141 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N(C)CCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000662942356 652479421 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C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000583692923 652494446 /nfs/dbraw/zinc/49/44/46/652494446.db2.gz OAIGWVLKYSBGQO-KCJUWKMLSA-N 1 0 380.222 2.225 20 0 GEADRO CCCN1CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000663364259 652495250 /nfs/dbraw/zinc/49/52/50/652495250.db2.gz GQBBGPULSJEYSW-AWEZNQCLSA-N 1 0 375.332 2.297 20 0 GEADRO O=c1c(Br)c(Br)cnn1Cc1cccc2c1CC[NH2+]C2 ZINC000663378833 652495924 /nfs/dbraw/zinc/49/59/24/652495924.db2.gz GOJNPAZZEMTEHJ-UHFFFAOYSA-N 1 0 399.086 2.462 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNc2nnc3ccc(Br)cn32)CC1 ZINC000663395531 652496942 /nfs/dbraw/zinc/49/69/42/652496942.db2.gz OIGWYEZFSYUNKZ-ZDUSSCGKSA-N 1 0 381.322 2.177 20 0 GEADRO Cc1nc(C)c(Br)c(N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000663422983 652498031 /nfs/dbraw/zinc/49/80/31/652498031.db2.gz PWBTYWYHGCESDC-UHFFFAOYSA-N 1 0 382.350 2.320 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000583812417 652498488 /nfs/dbraw/zinc/49/84/88/652498488.db2.gz 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ZINC000584123974 652510207 /nfs/dbraw/zinc/51/02/07/652510207.db2.gz PBGOOSHVMJPQEW-CYBMUJFWSA-N 1 0 384.318 2.148 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(F)c(F)cc1Br)COC1CCOCC1 ZINC000584287312 652515180 /nfs/dbraw/zinc/51/51/80/652515180.db2.gz BZNHCODMQJRUMR-NSHDSACASA-N 1 0 380.229 2.373 20 0 GEADRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000584323507 652516397 /nfs/dbraw/zinc/51/63/97/652516397.db2.gz RXTSCYGIRCISTJ-NWDGAFQWSA-N 1 0 379.258 2.461 20 0 GEADRO COc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c(Br)cn1 ZINC000664011111 652517995 /nfs/dbraw/zinc/51/79/95/652517995.db2.gz CEMLFWIDHKFKNX-UHFFFAOYSA-N 1 0 399.333 2.061 20 0 GEADRO O=C(NCc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664024025 652518459 /nfs/dbraw/zinc/51/84/59/652518459.db2.gz FITCAPGHVDHBAP-MRXNPFEDSA-N 1 0 382.302 2.190 20 0 GEADRO COCCOc1ccc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000631041206 652518706 /nfs/dbraw/zinc/51/87/06/652518706.db2.gz OHHOVNHKNYGKSI-UHFFFAOYSA-N 1 0 384.885 2.302 20 0 GEADRO COc1ccc(OC)c(CC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631052363 652519273 /nfs/dbraw/zinc/51/92/73/652519273.db2.gz KMNNKFVANHTVFH-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c(F)cc1Br ZINC000631053685 652519671 /nfs/dbraw/zinc/51/96/71/652519671.db2.gz GLRBRVLKMZLQBL-LLVKDONJSA-N 1 0 395.294 2.110 20 0 GEADRO COCCc1ncc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)s1 ZINC000631110493 652520641 /nfs/dbraw/zinc/52/06/41/652520641.db2.gz CKWDLSJRDRDCIJ-UHFFFAOYSA-N 1 0 381.523 2.162 20 0 GEADRO C[C@H]1CN(CCNC(=O)NCCc2ccc(Br)cc2)[C@@H](C)CO1 ZINC000664153898 652521410 /nfs/dbraw/zinc/52/14/10/652521410.db2.gz XRKNVOJREITCJT-KBPBESRZSA-N 1 0 384.318 2.400 20 0 GEADRO C[C@@H]1CN(CCNC(=O)NCCc2ccc(Br)cc2)[C@@H](C)CO1 ZINC000664153900 652521532 /nfs/dbraw/zinc/52/15/32/652521532.db2.gz XRKNVOJREITCJT-UONOGXRCSA-N 1 0 384.318 2.400 20 0 GEADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1F ZINC000631327609 652522072 /nfs/dbraw/zinc/52/20/72/652522072.db2.gz XPJPTBXFVUDRDW-CYBMUJFWSA-N 1 0 390.286 2.269 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N2CCc3cccc(Br)c3C2)cn1 ZINC000631377487 652522348 /nfs/dbraw/zinc/52/23/48/652522348.db2.gz NIJCOKCTANMEIW-UHFFFAOYSA-N 1 0 377.286 2.406 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000584474640 652522366 /nfs/dbraw/zinc/52/23/66/652522366.db2.gz BPBWCLDCFQWYSH-MSOLQXFVSA-N 1 0 384.362 2.488 20 0 GEADRO CS(=O)(=O)c1ccccc1CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000584589079 652524525 /nfs/dbraw/zinc/52/45/25/652524525.db2.gz WUYOXQOYGLWPIW-UHFFFAOYSA-N 1 0 379.507 2.195 20 0 GEADRO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Oc1ccccc1Br ZINC000631626938 652528936 /nfs/dbraw/zinc/52/89/36/652528936.db2.gz ZUUWUSWSFMKFOF-ZDUSSCGKSA-N 1 0 395.301 2.405 20 0 GEADRO COc1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)ncc1Br ZINC000584778659 652528943 /nfs/dbraw/zinc/52/89/43/652528943.db2.gz SYTJVKHOJWDBSD-UOWOHEGISA-N 1 0 384.274 2.324 20 0 GEADRO O=C(NCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Br)cn1 ZINC000631645176 652529209 /nfs/dbraw/zinc/52/92/09/652529209.db2.gz LVMUVVPUYWFQDW-QEJZJMRPSA-N 1 0 380.286 2.121 20 0 GEADRO O=C(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Nc1cccc(Br)c1 ZINC000584834048 652531294 /nfs/dbraw/zinc/53/12/94/652531294.db2.gz OCSLJNCPTCFFOO-BZUAXINKSA-N 1 0 382.302 2.134 20 0 GEADRO CC1CC[NH+](CCCNS(=O)(=O)Cc2ncsc2Br)CC1 ZINC000631719350 652532934 /nfs/dbraw/zinc/53/29/34/652532934.db2.gz MKBJEPPTBPAJPQ-UHFFFAOYSA-N 1 0 396.376 2.447 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)/C=C\c1ccc(I)o1 ZINC000758202776 652533696 /nfs/dbraw/zinc/53/36/96/652533696.db2.gz QGVJMFSHDMNAHB-MIEUEZKFSA-N 1 0 386.233 2.496 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631808743 652535631 /nfs/dbraw/zinc/53/56/31/652535631.db2.gz BCBWEUFPPKALLL-BIMULSAOSA-N 1 0 377.304 2.051 20 0 GEADRO C[C@H](CNS(=O)(=O)Cc1ncsc1Br)[NH+]1CCC(C)CC1 ZINC000631812449 652535902 /nfs/dbraw/zinc/53/59/02/652535902.db2.gz JKGQQBISFNJLQM-LLVKDONJSA-N 1 0 396.376 2.445 20 0 GEADRO CC[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1cc(F)cc(Br)c1 ZINC000664711126 652536541 /nfs/dbraw/zinc/53/65/41/652536541.db2.gz DANIRPZVNOFHLD-ILXRZTDVSA-N 1 0 388.281 2.356 20 0 GEADRO O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000664727977 652536809 /nfs/dbraw/zinc/53/68/09/652536809.db2.gz VGWLFPYWXNMYBL-UHFFFAOYSA-N 1 0 379.176 2.282 20 0 GEADRO Cc1cccc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1Br ZINC000664728870 652536906 /nfs/dbraw/zinc/53/69/06/652536906.db2.gz HGVFZPFTSWJBQV-INIZCTEOSA-N 1 0 396.329 2.498 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1I ZINC000758317641 652537016 /nfs/dbraw/zinc/53/70/16/652537016.db2.gz NGQISNJYSRGJLX-NEPJUHHUSA-N 1 0 385.249 2.385 20 0 GEADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2cccc(I)c2)CC1 ZINC000585766237 652537476 /nfs/dbraw/zinc/53/74/76/652537476.db2.gz DVEWRRRRJXDTHL-HOTGVXAUSA-N 1 0 386.277 2.322 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000758339285 652537934 /nfs/dbraw/zinc/53/79/34/652537934.db2.gz WEHMKUFWOLNVHO-RISCZKNCSA-N 1 0 390.285 2.242 20 0 GEADRO [NH3+]C1CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)CC1 ZINC000631900814 652538987 /nfs/dbraw/zinc/53/89/87/652538987.db2.gz ZLIPZXPGWMZTSA-UHFFFAOYSA-N 1 0 376.301 2.171 20 0 GEADRO O=S(=O)(c1cnc2c(Br)csc2c1)N1CCC[NH2+]CC1 ZINC000631901201 652539543 /nfs/dbraw/zinc/53/95/43/652539543.db2.gz UOXVYECORMBXOY-UHFFFAOYSA-N 1 0 376.301 2.043 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)N1CCC([NH2+]CC2CC2)CC1 ZINC000631906458 652540092 /nfs/dbraw/zinc/54/00/92/652540092.db2.gz MXXYIGILGZDVTN-UHFFFAOYSA-N 1 0 394.360 2.199 20 0 GEADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916143 652541151 /nfs/dbraw/zinc/54/11/51/652541151.db2.gz SQYLRPBAHPOJFI-UKRRQHHQSA-N 1 0 381.523 2.087 20 0 GEADRO CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916247 652541160 /nfs/dbraw/zinc/54/11/60/652541160.db2.gz VSVMWMUBLLXAKL-SWLSCSKDSA-N 1 0 380.432 2.407 20 0 GEADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631938704 652542442 /nfs/dbraw/zinc/54/24/42/652542442.db2.gz KHADNLOCUILZOO-NSHDSACASA-N 1 0 390.328 2.417 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1Cl ZINC000631973904 652543670 /nfs/dbraw/zinc/54/36/70/652543670.db2.gz REPBEOLSBWKXBL-SFYZADRCSA-N 1 0 383.695 2.221 20 0 GEADRO COC(=O)N1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000758524924 652545496 /nfs/dbraw/zinc/54/54/96/652545496.db2.gz AIQFLYSOHAWTCW-CYBMUJFWSA-N 1 0 385.302 2.421 20 0 GEADRO CCN(C(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000665131087 652545987 /nfs/dbraw/zinc/54/59/87/652545987.db2.gz NROMCLMEDVMHNU-OAHLLOKOSA-N 1 0 387.933 2.369 20 0 GEADRO CN1CCN(S(=O)(=O)Cc2ncsc2Br)c2c[nH+]ccc21 ZINC000632085902 652550508 /nfs/dbraw/zinc/55/05/08/652550508.db2.gz ZBOHGGSLRQSKIS-UHFFFAOYSA-N 1 0 389.300 2.087 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000588289497 652551402 /nfs/dbraw/zinc/55/14/02/652551402.db2.gz WPEUDXKUAJQFAY-ZDUSSCGKSA-N 1 0 399.333 2.208 20 0 GEADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cscc2Br)CCCO1 ZINC000632278474 652555053 /nfs/dbraw/zinc/55/50/53/652555053.db2.gz SEHJXVXUUILORV-NSHDSACASA-N 1 0 397.360 2.290 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000632277562 652555086 /nfs/dbraw/zinc/55/50/86/652555086.db2.gz TYFNZGQGFPSUEO-SNVBAGLBSA-N 1 0 382.349 2.152 20 0 GEADRO C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C)C1CC[NH+](C)CC1 ZINC000588705511 652555550 /nfs/dbraw/zinc/55/55/50/652555550.db2.gz LUAYPXWQTPFKIE-LBPRGKRZSA-N 1 0 379.555 2.482 20 0 GEADRO Cc1cn(C)nc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000665713955 652558203 /nfs/dbraw/zinc/55/82/03/652558203.db2.gz MZIBKKBNMOJOEZ-UHFFFAOYSA-N 1 0 392.301 2.495 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000632366940 652559437 /nfs/dbraw/zinc/55/94/37/652559437.db2.gz CJSLMLJYDBQKTL-JOYOIKCWSA-N 1 0 395.294 2.310 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2N1 ZINC000589170411 652561387 /nfs/dbraw/zinc/56/13/87/652561387.db2.gz JFAUJIUYLQRDQC-ZDUSSCGKSA-N 1 0 383.901 2.084 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000589230893 652562653 /nfs/dbraw/zinc/56/26/53/652562653.db2.gz HIMWSTXFXJHWQF-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO CN(CC[NH+](C)C)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000665929950 652563183 /nfs/dbraw/zinc/56/31/83/652563183.db2.gz UZXXXUGCCHPROH-UHFFFAOYSA-N 1 0 382.262 2.202 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)Cc1ncsc1Br ZINC000632429636 652563198 /nfs/dbraw/zinc/56/31/98/652563198.db2.gz OVXYGELTTUKGLE-UHFFFAOYSA-N 1 0 382.349 2.199 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000666141445 652567374 /nfs/dbraw/zinc/56/73/74/652567374.db2.gz YFIRYEXOBPYRDG-CVEARBPZSA-N 1 0 382.302 2.474 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000632570324 652567402 /nfs/dbraw/zinc/56/74/02/652567402.db2.gz KRSLOIGCRZNXBB-AWEZNQCLSA-N 1 0 381.325 2.432 20 0 GEADRO CSC1(CNC(=O)c2nnn(C3CC3)c2C(F)(F)F)CC[NH+](C)CC1 ZINC000589807105 652572372 /nfs/dbraw/zinc/57/23/72/652572372.db2.gz RZAAGLCGRYGAEM-UHFFFAOYSA-N 1 0 377.436 2.189 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(I)c1 ZINC000590045841 652573360 /nfs/dbraw/zinc/57/33/60/652573360.db2.gz XXOVMJVTGHXLRF-HZMBPMFUSA-N 1 0 386.233 2.076 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(I)c(F)cc3F)[C@H]2C1 ZINC000590045312 652573501 /nfs/dbraw/zinc/57/35/01/652573501.db2.gz PAUUQGGTBSXDKD-OQPBUACISA-N 1 0 392.187 2.346 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000632678983 652574237 /nfs/dbraw/zinc/57/42/37/652574237.db2.gz VMOQJNWQXLUCJZ-QGZVFWFLSA-N 1 0 379.551 2.496 20 0 GEADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000590747931 652579279 /nfs/dbraw/zinc/57/92/79/652579279.db2.gz DFEAGDFJSSMMSH-FRRDWIJNSA-N 1 0 388.452 2.005 20 0 GEADRO Cc1cc(Br)c(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)s1 ZINC000666638701 652581762 /nfs/dbraw/zinc/58/17/62/652581762.db2.gz JLZYPPVKEZNNLS-GFCCVEGCSA-N 1 0 390.347 2.465 20 0 GEADRO [NH3+]CC1(NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCCCC1 ZINC000633049111 652584035 /nfs/dbraw/zinc/58/40/35/652584035.db2.gz RYNVDVOBGLVBEG-UHFFFAOYSA-N 1 0 390.228 2.444 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C[C@H]1C[NH3+] ZINC000633077233 652585129 /nfs/dbraw/zinc/58/51/29/652585129.db2.gz XJYBLHVGKLSVSV-ZIAGYGMSSA-N 1 0 377.535 2.392 20 0 GEADRO C[C@@H]1COCCN1CCNC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633092465 652585621 /nfs/dbraw/zinc/58/56/21/652585621.db2.gz OCRUVIQLMMNWJF-IPALMDDQSA-N 1 0 394.313 2.107 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CSCCS1 ZINC000759832182 652588237 /nfs/dbraw/zinc/58/82/37/652588237.db2.gz GANMHFBZENUIEC-NEPJUHHUSA-N 1 0 396.003 2.143 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CSCCS1 ZINC000759832186 652588348 /nfs/dbraw/zinc/58/83/48/652588348.db2.gz GANMHFBZENUIEC-VXGBXAGGSA-N 1 0 396.003 2.143 20 0 GEADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000592197878 652590444 /nfs/dbraw/zinc/59/04/44/652590444.db2.gz PWBIEWZTMREDBG-PWSUYJOCSA-N 1 0 375.252 2.178 20 0 GEADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000592197879 652590583 /nfs/dbraw/zinc/59/05/83/652590583.db2.gz PWBIEWZTMREDBG-ZYHUDNBSSA-N 1 0 375.252 2.178 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@H+](CC)CCO ZINC000667132669 652592897 /nfs/dbraw/zinc/59/28/97/652592897.db2.gz FPZNNRNRAWHRCJ-MRXNPFEDSA-N 1 0 386.334 2.384 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN(C)Cc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000592389936 652593168 /nfs/dbraw/zinc/59/31/68/652593168.db2.gz CMXLDXSKBSZESW-ZENOOKHLSA-N 1 0 389.309 2.490 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592390586 652593321 /nfs/dbraw/zinc/59/33/21/652593321.db2.gz KRRMECDNVDDIEQ-KBPBESRZSA-N 1 0 386.539 2.243 20 0 GEADRO CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CCOCC1 ZINC000592393705 652593619 /nfs/dbraw/zinc/59/36/19/652593619.db2.gz KAWHCLNEGVBLFA-LSDHHAIUSA-N 1 0 375.531 2.070 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)[C@@H]1SC ZINC000592393852 652593668 /nfs/dbraw/zinc/59/36/68/652593668.db2.gz DKGZCWNAOWJJJE-ZGFBFQLVSA-N 1 0 375.332 2.498 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000633353550 652594103 /nfs/dbraw/zinc/59/41/03/652594103.db2.gz DUURBWXYYTYXSF-LBPRGKRZSA-N 1 0 384.322 2.389 20 0 GEADRO CN1CCN(C(=O)Nc2cc(Br)c(F)cc2Cl)[C@@H](C[NH3+])C1 ZINC000667183582 652595595 /nfs/dbraw/zinc/59/55/95/652595595.db2.gz IOYWGJGXQOBXLX-QMMMGPOBSA-N 1 0 379.661 2.348 20 0 GEADRO Cn1ncc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1Br ZINC000760202140 652599121 /nfs/dbraw/zinc/59/91/21/652599121.db2.gz ZUGXLGFJQVVSJX-UHFFFAOYSA-N 1 0 394.273 2.325 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667262552 652599212 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GEADRO C[C@@H]([NH2+]CCC(F)(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766528562 652885113 /nfs/dbraw/zinc/88/51/13/652885113.db2.gz MYPKXHFQHUEPDA-SNVBAGLBSA-N 1 0 388.433 2.015 20 0 GEADRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)Nc1c[nH]cc(Br)c1=O ZINC000638281464 652885401 /nfs/dbraw/zinc/88/54/01/652885401.db2.gz NJUOGSSWFBFGAR-IINYFYTJSA-N 1 0 380.242 2.009 20 0 GEADRO Brc1cnc2c(C[NH2+]C[C@H]3COc4ccccc4O3)cnn2c1 ZINC000638318861 652885700 /nfs/dbraw/zinc/88/57/00/652885700.db2.gz WSWFKOVLIDJBBG-ZDUSSCGKSA-N 1 0 375.226 2.421 20 0 GEADRO C[C@]1(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)C[NH2+]CCO1 ZINC000638303296 652885853 /nfs/dbraw/zinc/88/58/53/652885853.db2.gz XZZDFZDYWQFAQK-QGZVFWFLSA-N 1 0 383.286 2.197 20 0 GEADRO CC[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)N1CCc2ccccc2C1 ZINC000638335103 652885892 /nfs/dbraw/zinc/88/58/92/652885892.db2.gz GJTNQMULXDXMPX-INIZCTEOSA-N 1 0 379.551 2.322 20 0 GEADRO CC[NH+](CC)[C@@H](CNCc1ccc(S(N)(=O)=O)s1)Cc1ccccc1 ZINC000638354174 652886911 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O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000674231568 652891040 /nfs/dbraw/zinc/89/10/40/652891040.db2.gz GQZVEHCJEQGBNR-GJZGRUSLSA-N 1 0 389.323 2.387 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638498064 652891383 /nfs/dbraw/zinc/89/13/83/652891383.db2.gz BWSPNRYEZIAKRK-KOLCDFICSA-N 1 0 386.315 2.030 20 0 GEADRO COC1CC[NH+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000674310872 652893839 /nfs/dbraw/zinc/89/38/39/652893839.db2.gz STPHWBKMOQVRMA-UHFFFAOYSA-N 1 0 395.297 2.452 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc(Cl)ccc1I ZINC000599940594 652893810 /nfs/dbraw/zinc/89/38/10/652893810.db2.gz OKWTZFMRKHOMAB-QPUJVOFHSA-N 1 0 393.656 2.494 20 0 GEADRO COC1CC[NH+](CCNC(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000674327225 652894576 /nfs/dbraw/zinc/89/45/76/652894576.db2.gz AWWXSTICWQMJBS-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000638590746 652896482 /nfs/dbraw/zinc/89/64/82/652896482.db2.gz PIOOZUIFEWMBNS-UHFFFAOYSA-N 1 0 382.258 2.011 20 0 GEADRO CN(C)C(=O)C1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCCC1 ZINC000638594936 652896961 /nfs/dbraw/zinc/89/69/61/652896961.db2.gz VUNOVRHLJMQUET-UHFFFAOYSA-N 1 0 380.290 2.230 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000638620022 652899066 /nfs/dbraw/zinc/89/90/66/652899066.db2.gz XCNYFHMGGORJJK-CQSZACIVSA-N 1 0 392.253 2.355 20 0 GEADRO Cc1sc2ncnc(SCCC(=O)NC3(C[NH3+])CCOCC3)c2c1C ZINC000638634674 652899688 /nfs/dbraw/zinc/89/96/88/652899688.db2.gz HUFVSWKGHYAXIK-UHFFFAOYSA-N 1 0 380.539 2.414 20 0 GEADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC1(C[NH3+])CCOCC1 ZINC000638636316 652899900 /nfs/dbraw/zinc/89/99/00/652899900.db2.gz XEHJWDKZBYLZCJ-UHFFFAOYSA-N 1 0 399.285 2.045 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C[NH2+]1 ZINC000638638801 652900375 /nfs/dbraw/zinc/90/03/75/652900375.db2.gz GGXNMQBHCHNPLZ-UHOFOFEASA-N 1 0 394.313 2.197 20 0 GEADRO Cc1c(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000638648152 652900996 /nfs/dbraw/zinc/90/09/96/652900996.db2.gz LBWQWNSKOCIRQK-GWCFXTLKSA-N 1 0 378.274 2.209 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000638654328 652901418 /nfs/dbraw/zinc/90/14/18/652901418.db2.gz DOHSSIPJNXHDQW-IUIKQTSFSA-N 1 0 382.302 2.273 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCOCCC[NH3+] ZINC000638657360 652901453 /nfs/dbraw/zinc/90/14/53/652901453.db2.gz LDTUXMAVTWWLIZ-SNVBAGLBSA-N 1 0 379.682 2.351 20 0 GEADRO COc1nsc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1Br ZINC000638659481 652901488 /nfs/dbraw/zinc/90/14/88/652901488.db2.gz FQUUIABOLRVXBI-RKDXNWHRSA-N 1 0 383.333 2.360 20 0 GEADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638685185 652902704 /nfs/dbraw/zinc/90/27/04/652902704.db2.gz BJWOGEBFDSYPRG-CVEARBPZSA-N 1 0 394.313 2.289 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000638699189 652903292 /nfs/dbraw/zinc/90/32/92/652903292.db2.gz MALXGKZNAULRAB-TZMCWYRMSA-N 1 0 392.301 2.408 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(S(N)(=O)=O)s1 ZINC000638719805 652904009 /nfs/dbraw/zinc/90/40/09/652904009.db2.gz QDRKTMZFJDERNO-RHSMWYFYSA-N 1 0 379.551 2.396 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000600118048 652904815 /nfs/dbraw/zinc/90/48/15/652904815.db2.gz HPIVWYZUWOARLA-UHFFFAOYSA-N 1 0 375.560 2.240 20 0 GEADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638748325 652905607 /nfs/dbraw/zinc/90/56/07/652905607.db2.gz QWECBTDNAHPRDY-OAHLLOKOSA-N 1 0 392.301 2.373 20 0 GEADRO COC(=O)CC1([NH2+]Cc2csc(C(F)(F)F)c2)CCS(=O)(=O)CC1 ZINC000600156229 652906110 /nfs/dbraw/zinc/90/61/10/652906110.db2.gz YTTUOERVPLWKCR-UHFFFAOYSA-N 1 0 385.429 2.367 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000766981559 652906630 /nfs/dbraw/zinc/90/66/30/652906630.db2.gz ZUIHIFZIJMUYMZ-JKSUJKDBSA-N 1 0 385.302 2.052 20 0 GEADRO CN1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638802362 652906637 /nfs/dbraw/zinc/90/66/37/652906637.db2.gz VJEPXGGYYDLRGD-ZBFHGGJFSA-N 1 0 387.864 2.255 20 0 GEADRO C[C@H](CC(=O)N1CCOc2ccc(C[NH3+])cc21)n1cc(Br)cn1 ZINC000638807831 652907417 /nfs/dbraw/zinc/90/74/17/652907417.db2.gz PQBQAIBGKRJBAD-LLVKDONJSA-N 1 0 379.258 2.481 20 0 GEADRO COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1OC ZINC000638824101 652907458 /nfs/dbraw/zinc/90/74/58/652907458.db2.gz DINLKZNYDMEYQV-GFCCVEGCSA-N 1 0 384.523 2.381 20 0 GEADRO [NH3+][C@H]1CCCCCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000638818507 652907481 /nfs/dbraw/zinc/90/74/81/652907481.db2.gz XVNQTNRTHIOQEP-NSHDSACASA-N 1 0 394.324 2.002 20 0 GEADRO CN1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638842456 652909595 /nfs/dbraw/zinc/90/95/95/652909595.db2.gz RRBKRWXHCDQZCF-IAGOWNOFSA-N 1 0 396.329 2.033 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638947108 652914568 /nfs/dbraw/zinc/91/45/68/652914568.db2.gz JHOAXGVPGZMOLV-DCAQKATOSA-N 1 0 388.331 2.263 20 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CO[C@H](C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)[C@@H]1CCOC1 ZINC000639237504 652927518 /nfs/dbraw/zinc/92/75/18/652927518.db2.gz IENGFPPBGIPCJE-CKEIUWERSA-N 1 0 390.293 2.380 20 0 GEADRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)CCO1 ZINC000639243098 652927867 /nfs/dbraw/zinc/92/78/67/652927867.db2.gz USULYQIHFJVUCZ-ZIAGYGMSSA-N 1 0 391.273 2.235 20 0 GEADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)CCO1 ZINC000639248429 652927875 /nfs/dbraw/zinc/92/78/75/652927875.db2.gz YOXXLJABTXDWLN-HIFRSBDPSA-N 1 0 391.273 2.235 20 0 GEADRO CO[C@]1(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CCOC1 ZINC000639250280 652928604 /nfs/dbraw/zinc/92/86/04/652928604.db2.gz HOFINPCUKVWADZ-LRDDRELGSA-N 1 0 376.266 2.134 20 0 GEADRO OC[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccc(F)cc1 ZINC000639267927 652929092 /nfs/dbraw/zinc/92/90/92/652929092.db2.gz PXCNAKYNEMMCHJ-ZDUSSCGKSA-N 1 0 379.233 2.497 20 0 GEADRO CN1CC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639357988 652933624 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C[C@@H]1CN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000639665672 652947493 /nfs/dbraw/zinc/94/74/93/652947493.db2.gz WWCUEECJYFNSDY-ZENOOKHLSA-N 1 0 377.312 2.120 20 0 GEADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675995033 652949837 /nfs/dbraw/zinc/94/98/37/652949837.db2.gz MNYKWFBJIQTNRE-HZPDHXFCSA-N 1 0 382.302 2.266 20 0 GEADRO O=C(C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1ccc(Br)cn1 ZINC000639767866 652952521 /nfs/dbraw/zinc/95/25/21/652952521.db2.gz OUQGAAJDCIQCLR-CZUORRHYSA-N 1 0 398.301 2.082 20 0 GEADRO C[C@@H](NC(=O)CN1CCC[C@@](O)(C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000639766883 652952698 /nfs/dbraw/zinc/95/26/98/652952698.db2.gz RVQHDXAZRNOLGS-RDTXWAMCSA-N 1 0 398.345 2.015 20 0 GEADRO CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)[C@@H]1OC ZINC000676084281 652953750 /nfs/dbraw/zinc/95/37/50/652953750.db2.gz DTEJTQOWGLPABN-TWMKSMIVSA-N 1 0 375.579 2.077 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000601146567 652956231 /nfs/dbraw/zinc/95/62/31/652956231.db2.gz JDRJNZIUTLQHJD-IUCAKERBSA-N 1 0 377.666 2.258 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)no1 ZINC000625794339 653045032 /nfs/dbraw/zinc/04/50/32/653045032.db2.gz HAYCMHRVDORGCM-KRWDZBQOSA-N 1 0 394.269 2.194 20 0 GEADRO Nc1nnc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000639827463 653086234 /nfs/dbraw/zinc/08/62/34/653086234.db2.gz ZEECUDORZGLMRA-GHMZBOCLSA-N 1 0 387.267 2.578 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1F ZINC000601352429 653087988 /nfs/dbraw/zinc/08/79/88/653087988.db2.gz UVULQSZHZUNRAX-GXFFZTMASA-N 1 0 390.864 2.028 20 0 GEADRO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639918557 653088605 /nfs/dbraw/zinc/08/86/05/653088605.db2.gz MQINHYGAIPXNAV-SWLSCSKDSA-N 1 0 396.336 2.490 20 0 GEADRO C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H](O)CC1(O)CCC1 ZINC000639920767 653088839 /nfs/dbraw/zinc/08/88/39/653088839.db2.gz XREWJMJNXQOKNH-GJZGRUSLSA-N 1 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ZINC000601558429 653111243 /nfs/dbraw/zinc/11/12/43/653111243.db2.gz LITXJLDHSOMXQS-RKDXNWHRSA-N 1 0 388.237 2.433 20 0 GEADRO CSC1(CNC(=O)COc2ccc(Br)cn2)CC[NH+](C)CC1 ZINC000601588737 653111761 /nfs/dbraw/zinc/11/17/61/653111761.db2.gz MHUWXPXYCBZERC-UHFFFAOYSA-N 1 0 388.331 2.167 20 0 GEADRO C[C@H](NC(=O)c1cc(Cn2cc(Br)cn2)on1)C1CC[NH+](C)CC1 ZINC000676884919 653112489 /nfs/dbraw/zinc/11/24/89/653112489.db2.gz XPRANTFTKHSOFH-NSHDSACASA-N 1 0 396.289 2.142 20 0 GEADRO CSc1nnc(-c2noc([C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC000771474323 653112513 /nfs/dbraw/zinc/11/25/13/653112513.db2.gz LEIZWHYVZWSCIX-INIZCTEOSA-N 1 0 375.479 2.404 20 0 GEADRO Cn1cc(Br)c(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000640308668 653113869 /nfs/dbraw/zinc/11/38/69/653113869.db2.gz KFNVSSMQRQEOLF-CYBMUJFWSA-N 1 0 384.253 2.746 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1nn(C)cc1Br ZINC000640312481 653116970 /nfs/dbraw/zinc/11/69/70/653116970.db2.gz NGMDHWODWGWLCM-SWLSCSKDSA-N 1 0 392.301 2.825 20 0 GEADRO Cn1cc(Br)c(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000640312949 653117326 /nfs/dbraw/zinc/11/73/26/653117326.db2.gz PMDQTDIGABTPIL-UHFFFAOYSA-N 1 0 393.289 2.616 20 0 GEADRO C[C@@H](CNC(=O)Nc1nn(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000640324231 653120432 /nfs/dbraw/zinc/12/04/32/653120432.db2.gz CRSYKYIPQGIPML-LBPRGKRZSA-N 1 0 380.290 2.825 20 0 GEADRO C[NH+]1CCC(CCNC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640382975 653122907 /nfs/dbraw/zinc/12/29/07/653122907.db2.gz CSMQHDLPOJMZCO-UHFFFAOYSA-N 1 0 387.378 3.046 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3nnc(C(F)(F)C(F)(F)F)s3)[C@H]2C1 ZINC000640385260 653124507 /nfs/dbraw/zinc/12/45/07/653124507.db2.gz MQSYRDHMSYZKCU-YUMQZZPRSA-N 1 0 385.362 2.750 20 0 GEADRO C[C@@H]([NH2+][C@H](CCO)C1CC1)C(=O)Nc1cccc(I)c1 ZINC000771797452 653127001 /nfs/dbraw/zinc/12/70/01/653127001.db2.gz AILBXYLMTKUCSN-QMTHXVAHSA-N 1 0 388.249 2.369 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000771888491 653131302 /nfs/dbraw/zinc/13/13/02/653131302.db2.gz PTBHFUYCXFGAJY-SQWLQELKSA-N 1 0 389.949 2.498 20 0 GEADRO C[C@@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)[C@@H](C)C[N@@H+]1C ZINC000768847240 653131647 /nfs/dbraw/zinc/13/16/47/653131647.db2.gz QLNBWLJQKIVHEK-NEPJUHHUSA-N 1 0 379.917 2.438 20 0 GEADRO C[C@@](O)(C[C@H](O)C[NH2+]CCc1ccc(I)s1)C1CC1 ZINC000601967688 653134116 /nfs/dbraw/zinc/13/41/16/653134116.db2.gz WJPJEHITPQTXTQ-SMDDNHRTSA-N 1 0 395.306 2.397 20 0 GEADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000678926353 653134124 /nfs/dbraw/zinc/13/41/24/653134124.db2.gz ABCOVTXSVQGTLU-ZDUSSCGKSA-N 1 0 385.917 2.314 20 0 GEADRO O=C1[C@H]2CSCCN2C(=O)N1c1ccc(CC[NH+]2CCSCC2)cc1 ZINC000771959467 653134546 /nfs/dbraw/zinc/13/45/46/653134546.db2.gz AQJZRKKOCDODMM-MRXNPFEDSA-N 1 0 377.535 2.162 20 0 GEADRO COCC[C@@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2ccc(Br)cc2)nn1 ZINC000640801289 653139974 /nfs/dbraw/zinc/13/99/74/653139974.db2.gz PLQDIENATVBSPG-WCQYABFASA-N 1 0 396.289 2.147 20 0 GEADRO O=C(NCc1cn(CCSc2ccc(Cl)cc2)nn1)C1CC[NH2+]CC1 ZINC000640838376 653140591 /nfs/dbraw/zinc/14/05/91/653140591.db2.gz FWXVOVBGEGKDIZ-UHFFFAOYSA-N 1 0 379.917 2.340 20 0 GEADRO COCc1ccccc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000679284216 653142617 /nfs/dbraw/zinc/14/26/17/653142617.db2.gz ZHDPLHROJWNARR-UHFFFAOYSA-N 1 0 384.567 2.473 20 0 GEADRO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(Br)c2cccnc12 ZINC000679336516 653143894 /nfs/dbraw/zinc/14/38/94/653143894.db2.gz WTIWRCOPIAOAEQ-UHFFFAOYSA-N 1 0 398.326 2.465 20 0 GEADRO CC[NH2+]Cc1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640925080 653145982 /nfs/dbraw/zinc/14/59/82/653145982.db2.gz HAOHOZJFLLXDNF-GFCCVEGCSA-N 1 0 380.290 2.370 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2cc3c(c(Br)c2)OCO3)nn1)C1CCOCC1 ZINC000640987283 653149167 /nfs/dbraw/zinc/14/91/67/653149167.db2.gz QTPVLCMLOSZKRW-OAHLLOKOSA-N 1 0 395.257 2.244 20 0 GEADRO O=C(NCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)c1ccn[nH]1 ZINC000679575796 653149714 /nfs/dbraw/zinc/14/97/14/653149714.db2.gz RTMDUIJZUFWIJN-HOTGVXAUSA-N 1 0 393.285 2.412 20 0 GEADRO C[NH+]1CCN(Cc2cn(Cc3cn4cc(Cl)cc(Cl)c4n3)nn2)CC1 ZINC000641018839 653150638 /nfs/dbraw/zinc/15/06/38/653150638.db2.gz POJSGKBWJYUQPW-UHFFFAOYSA-N 1 0 380.283 2.028 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccccc2Br)C1 ZINC000602155744 653152077 /nfs/dbraw/zinc/15/20/77/653152077.db2.gz IUNVPJGKIYWOOT-ZIAGYGMSSA-N 1 0 385.302 2.443 20 0 GEADRO CC[C@@H]([NH3+])c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641041596 653152199 /nfs/dbraw/zinc/15/21/99/653152199.db2.gz MVZXZYFRBWQMQA-GFCCVEGCSA-N 1 0 377.246 2.473 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc4[nH]cc(I)c4c3)C[C@H]21 ZINC000602161790 653152498 /nfs/dbraw/zinc/15/24/98/653152498.db2.gz UZCDCHOMXFGMSD-JYAVWHMHSA-N 1 0 395.244 2.405 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCN(c2cccc(Br)c2)CC1 ZINC000641044528 653152595 /nfs/dbraw/zinc/15/25/95/653152595.db2.gz XNGZHINPACMROG-HNNXBMFYSA-N 1 0 381.318 2.423 20 0 GEADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000769402471 653152974 /nfs/dbraw/zinc/15/29/74/653152974.db2.gz KECZKUHQRKMWPZ-HUUCEWRRSA-N 1 0 379.309 2.276 20 0 GEADRO Cc1c(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)sc2nc(C)nc(C)c12 ZINC000772598016 653155343 /nfs/dbraw/zinc/15/53/43/653155343.db2.gz HHQCWCLTXKMEKY-CQSZACIVSA-N 1 0 382.555 2.378 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC000602184235 653156085 /nfs/dbraw/zinc/15/60/85/653156085.db2.gz CHGGZPSDJONXPR-UHFFFAOYSA-N 1 0 387.299 2.481 20 0 GEADRO C[C@H](NC(=O)C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(Br)cc1 ZINC000679871643 653156407 /nfs/dbraw/zinc/15/64/07/653156407.db2.gz GYGCPSILRIYDGS-LRDDRELGSA-N 1 0 385.302 2.003 20 0 GEADRO COCC[C@@H]([NH3+])Cc1cn(Cc2cc(Br)cc(F)c2F)nn1 ZINC000641119111 653159347 /nfs/dbraw/zinc/15/93/47/653159347.db2.gz IHKGYGJZBCJDBK-LLVKDONJSA-N 1 0 375.217 2.273 20 0 GEADRO [NH3+]C1CCN(CCc2cn(Cc3cc(F)cc(Br)c3)nn2)CC1 ZINC000641124350 653159855 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KGVUWYQFVMFVPG-GFCCVEGCSA-N 1 0 389.363 2.126 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@H](C[NH3+])C2)c(I)cc1Cl ZINC000602481600 653185412 /nfs/dbraw/zinc/18/54/12/653185412.db2.gz CACFQVSHMPDGHV-SECBINFHSA-N 1 0 394.640 2.053 20 0 GEADRO CN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000641317169 653185548 /nfs/dbraw/zinc/18/55/48/653185548.db2.gz ASYJIBMZAZHBBC-CABCVRRESA-N 1 0 385.917 2.327 20 0 GEADRO COC1CC[NH+](C2(CNS(=O)(=O)C[C@]3(C)CC3(F)F)CCCC2)CC1 ZINC000641320720 653186338 /nfs/dbraw/zinc/18/63/38/653186338.db2.gz HLUFAFZQJPGOAQ-HNNXBMFYSA-N 1 0 380.501 2.375 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000681593677 653186605 /nfs/dbraw/zinc/18/66/05/653186605.db2.gz QHYVQWLFXJXDJB-WBVHZDCISA-N 1 0 393.329 2.367 20 0 GEADRO COC(=O)c1cc(NC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)cc(Br)c1F ZINC000602505573 653186957 /nfs/dbraw/zinc/18/69/57/653186957.db2.gz FMJLUTWLLKIWKX-RFAUZJTJSA-N 1 0 389.221 2.080 20 0 GEADRO COc1nc(C)c(Br)cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000681595765 653187413 /nfs/dbraw/zinc/18/74/13/653187413.db2.gz SJYQROJVLSVPHX-UHFFFAOYSA-N 1 0 382.262 2.172 20 0 GEADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cc4cc(Br)ccc4s3)CCN2C1=O ZINC000602528685 653188138 /nfs/dbraw/zinc/18/81/38/653188138.db2.gz SQWNYGYATQMSJC-VXGBXAGGSA-N 1 0 394.294 2.048 20 0 GEADRO C[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000681741955 653190476 /nfs/dbraw/zinc/19/04/76/653190476.db2.gz UYTDZVMJCDAADL-MAZHCROVSA-N 1 0 379.444 2.324 20 0 GEADRO Cc1cc(C(=O)NCCOCCC[NH3+])c(I)cc1Cl ZINC000602552305 653190684 /nfs/dbraw/zinc/19/06/84/653190684.db2.gz NVXYHRXPROFUDQ-UHFFFAOYSA-N 1 0 396.656 2.348 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000807394434 653192658 /nfs/dbraw/zinc/19/26/58/653192658.db2.gz NFGBGGSBMUBAQY-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO COC(=O)CC1([NH2+]Cc2snc(OC)c2Br)CCOCC1 ZINC000602591319 653192657 /nfs/dbraw/zinc/19/26/57/653192657.db2.gz ZKSAOVZHNOENBH-UHFFFAOYSA-N 1 0 379.276 2.116 20 0 GEADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602589554 653192798 /nfs/dbraw/zinc/19/27/98/653192798.db2.gz FIALDHVLEIJONZ-ALLJEULLSA-N 1 0 385.327 2.300 20 0 GEADRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(I)s1 ZINC000602611187 653194435 /nfs/dbraw/zinc/19/44/35/653194435.db2.gz CYFPSIWUUIOSDB-GFCCVEGCSA-N 1 0 383.251 2.411 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000773342965 653194757 /nfs/dbraw/zinc/19/47/57/653194757.db2.gz FKGLAPVLVLKBHR-GFCCVEGCSA-N 1 0 394.313 2.477 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)nc1Br ZINC000807453436 653195364 /nfs/dbraw/zinc/19/53/64/653195364.db2.gz NMDIYJFGTAZFPS-STQMWFEESA-N 1 0 395.301 2.176 20 0 GEADRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C(=O)OC)cs2)cc1 ZINC000602640695 653197246 /nfs/dbraw/zinc/19/72/46/653197246.db2.gz YISIIAUSWZSYBB-UHFFFAOYSA-N 1 0 383.491 2.245 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000681986516 653201152 /nfs/dbraw/zinc/20/11/52/653201152.db2.gz RZYOLHIIBTZXBO-UHFFFAOYSA-N 1 0 381.274 2.043 20 0 GEADRO CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)C(C)C ZINC000807662959 653201262 /nfs/dbraw/zinc/20/12/62/653201262.db2.gz IGYRQDQGLGDVEP-OWCLPIDISA-N 1 0 387.615 2.107 20 0 GEADRO CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000807758660 653203214 /nfs/dbraw/zinc/20/32/14/653203214.db2.gz VLXFUYFAADNNAB-BZUAXINKSA-N 1 0 383.945 2.459 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CC[N@H+](CCO)C(C)(C)C2)c(Br)c1 ZINC000682033869 653204602 /nfs/dbraw/zinc/20/46/02/653204602.db2.gz SUCDLIBIKIFLLI-AWEZNQCLSA-N 1 0 398.345 2.473 20 0 GEADRO CC1(C)CN(CCC(=O)Nc2ccccc2Br)CC[N@@H+]1CCO ZINC000682037232 653205191 /nfs/dbraw/zinc/20/51/91/653205191.db2.gz AWXYWIFZXHPKOH-UHFFFAOYSA-N 1 0 384.318 2.166 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682034937 653205365 /nfs/dbraw/zinc/20/53/65/653205365.db2.gz MVIFEWNCPSISPS-UHFFFAOYSA-N 1 0 381.318 2.224 20 0 GEADRO CC1(C)CN(Cc2nc(-c3cccc(Br)c3)no2)CC[N@@H+]1CCO ZINC000682035182 653205426 /nfs/dbraw/zinc/20/54/26/653205426.db2.gz SGRMKFQGLLDIMZ-UHFFFAOYSA-N 1 0 395.301 2.388 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000682274896 653207169 /nfs/dbraw/zinc/20/71/69/653207169.db2.gz UUOXATVBWOYKGW-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO COC1CC[NH+](C2(CNc3cnn(C)c(=O)c3Br)CCCC2)CC1 ZINC000602845077 653209317 /nfs/dbraw/zinc/20/93/17/653209317.db2.gz ORWHVRVHXZKVGC-UHFFFAOYSA-N 1 0 399.333 2.378 20 0 GEADRO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)[C@H](O)c1c(Cl)cccc1Cl ZINC000770435715 653212005 /nfs/dbraw/zinc/21/20/05/653212005.db2.gz QJWUTNMKHKUNPD-VAECKANCSA-N 1 0 390.311 2.434 20 0 GEADRO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)[C@H](O)c1c(Cl)cccc1Cl ZINC000770435709 653212213 /nfs/dbraw/zinc/21/22/13/653212213.db2.gz QJWUTNMKHKUNPD-CIGZNWKYSA-N 1 0 390.311 2.434 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000773950331 653218486 /nfs/dbraw/zinc/21/84/86/653218486.db2.gz SSPVRWNVLWRHEV-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO O=C(C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)NC1CCCC1 ZINC000682730573 653222528 /nfs/dbraw/zinc/22/25/28/653222528.db2.gz JOZQIARMGDUOEK-UHFFFAOYSA-N 1 0 396.329 2.434 20 0 GEADRO CCn1cnnc1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000682730569 653222638 /nfs/dbraw/zinc/22/26/38/653222638.db2.gz JGIZMOBUDRUQBM-UHFFFAOYSA-N 1 0 394.317 2.229 20 0 GEADRO Cc1cc(Br)ccc1SCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808220750 653222784 /nfs/dbraw/zinc/22/27/84/653222784.db2.gz AXVDTYKBTSFZIA-CQSZACIVSA-N 1 0 387.343 2.423 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(C)C(C)(C)C2)cc1Cl ZINC000641591702 653223443 /nfs/dbraw/zinc/22/34/43/653223443.db2.gz CVKVYWQWHPYVHK-UHFFFAOYSA-N 1 0 377.869 2.152 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000774079690 653223435 /nfs/dbraw/zinc/22/34/35/653223435.db2.gz WDBJRGADUHTHNO-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000770739248 653223489 /nfs/dbraw/zinc/22/34/89/653223489.db2.gz NZMDKBXIXYPCHF-FPMFFAJLSA-N 1 0 375.922 2.109 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000774099163 653224412 /nfs/dbraw/zinc/22/44/12/653224412.db2.gz GTUSNYIJOHNGPQ-DGCLKSJQSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000641623440 653224600 /nfs/dbraw/zinc/22/46/00/653224600.db2.gz KKVDEQZHSGRLPA-AAEUAGOBSA-N 1 0 382.452 2.180 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000641650326 653227856 /nfs/dbraw/zinc/22/78/56/653227856.db2.gz NCKWMQVRWBLPHL-UHFFFAOYSA-N 1 0 394.368 2.440 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000774182156 653228250 /nfs/dbraw/zinc/22/82/50/653228250.db2.gz WIXYLLQZNHSYGS-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cccnc1Br ZINC000774224386 653229884 /nfs/dbraw/zinc/22/98/84/653229884.db2.gz VRVOYAZTUUEGNM-TXEJJXNPSA-N 1 0 383.290 2.162 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000774226472 653230016 /nfs/dbraw/zinc/23/00/16/653230016.db2.gz KUPUDISYEFSVML-HNNXBMFYSA-N 1 0 385.599 2.209 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(c2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000683188203 653230230 /nfs/dbraw/zinc/23/02/30/653230230.db2.gz QYVPIFPJINEGRV-JTQLQIEISA-N 1 0 394.310 2.202 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000774249924 653231099 /nfs/dbraw/zinc/23/10/99/653231099.db2.gz FYSIWAWXWKUKDY-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000641698625 653231358 /nfs/dbraw/zinc/23/13/58/653231358.db2.gz YANSJBCGLYMMSU-UHFFFAOYSA-N 1 0 382.452 2.326 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](CO)CC(C)C ZINC000641709820 653231858 /nfs/dbraw/zinc/23/18/58/653231858.db2.gz IPUJULCFOFOMCB-DOMZBBRYSA-N 1 0 387.318 2.459 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cnc(Br)cc2C)C1 ZINC000774281076 653232312 /nfs/dbraw/zinc/23/23/12/653232312.db2.gz BOEHRMQQTYPOKN-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(Br)c3F)CC2)C1 ZINC000683242724 653232362 /nfs/dbraw/zinc/23/23/62/653232362.db2.gz NHKRLPXTMSJSJT-CYBMUJFWSA-N 1 0 384.293 2.440 20 0 GEADRO COCC1(CNC(=O)N2Cc3cccc(Br)c3C2)CC[NH2+]CC1 ZINC000641757930 653232786 /nfs/dbraw/zinc/23/27/86/653232786.db2.gz HAKASMDMZHGQGK-UHFFFAOYSA-N 1 0 382.302 2.491 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NCc1ccc(OC)c(O)c1Br ZINC000641773163 653233507 /nfs/dbraw/zinc/23/35/07/653233507.db2.gz VMNHQTDXKWEJAQ-CYBMUJFWSA-N 1 0 375.307 2.346 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1COCC[C@H]1O ZINC000641776969 653233510 /nfs/dbraw/zinc/23/35/10/653233510.db2.gz ZCHSDJSIQSJIEE-GHMZBOCLSA-N 1 0 380.080 2.033 20 0 GEADRO C[C@@H]1CC[C@@H](C[NH3+])N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)[C@H]1C ZINC000641809727 653234297 /nfs/dbraw/zinc/23/42/97/653234297.db2.gz UQASIOBDOKPCBK-AGIUHOORSA-N 1 0 387.933 2.130 20 0 GEADRO Brc1csc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000641789921 653234386 /nfs/dbraw/zinc/23/43/86/653234386.db2.gz ZEHXEADKMKLKMW-OAHLLOKOSA-N 1 0 388.375 2.397 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1)C1CC1 ZINC000808764965 653234970 /nfs/dbraw/zinc/23/49/70/653234970.db2.gz DGFIUOQKSIGELS-SJCJKPOMSA-N 1 0 390.908 2.306 20 0 GEADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)[C@H]2C1 ZINC000808783973 653235181 /nfs/dbraw/zinc/23/51/81/653235181.db2.gz WEKRBIZNOMMBIM-JCGIZDLHSA-N 1 0 384.929 2.350 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000683646924 653236216 /nfs/dbraw/zinc/23/62/16/653236216.db2.gz YHMQYTIVDRPLCZ-UHFFFAOYSA-N 1 0 397.317 2.361 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000774518427 653240045 /nfs/dbraw/zinc/24/00/45/653240045.db2.gz NJNNBSNUDGOIMV-CYBMUJFWSA-N 1 0 386.949 2.302 20 0 GEADRO C[NH+]1CCC(n2ccc(NC(=O)CCn3cc(Br)cn3)n2)CC1 ZINC000683803157 653241217 /nfs/dbraw/zinc/24/12/17/653241217.db2.gz MGDXFIAKYZMYAX-UHFFFAOYSA-N 1 0 381.278 2.138 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642327032 653242229 /nfs/dbraw/zinc/24/22/29/653242229.db2.gz KWAIQNOBICGVOP-CJNGLKHVSA-N 1 0 396.329 2.145 20 0 GEADRO COC(=O)N1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000774620593 653244567 /nfs/dbraw/zinc/24/45/67/653244567.db2.gz MUXRMVZCYQTKKU-AWEZNQCLSA-N 1 0 375.238 2.442 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642351390 653245470 /nfs/dbraw/zinc/24/54/70/653245470.db2.gz OSXSWWZSJFFKIQ-BBRMVZONSA-N 1 0 384.307 2.253 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1Br ZINC000684046017 653251780 /nfs/dbraw/zinc/25/17/80/653251780.db2.gz IEWDXPJKXFVZGT-LBPRGKRZSA-N 1 0 385.306 2.062 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000874037140 653252251 /nfs/dbraw/zinc/25/22/51/653252251.db2.gz RMHBOXUXVTZBSL-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)c2c(Br)nc3n2CCOC3)c1 ZINC000856931544 653253159 /nfs/dbraw/zinc/25/31/59/653253159.db2.gz JTVGTTOUBLSGPJ-UHFFFAOYSA-N 1 0 379.258 2.490 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CC[NH+](CC(=O)[O-])CC1 ZINC000874049379 653254543 /nfs/dbraw/zinc/25/45/43/653254543.db2.gz FSSNYPYDLUYMNC-GFCCVEGCSA-N 1 0 398.301 2.305 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000856945955 653258417 /nfs/dbraw/zinc/25/84/17/653258417.db2.gz AAPVPOUOZIKEPD-HUUCEWRRSA-N 1 0 377.360 2.382 20 0 GEADRO CS[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)C1 ZINC000874088698 653260469 /nfs/dbraw/zinc/26/04/69/653260469.db2.gz OHNOJZVIRJHJDS-JOCQHMNTSA-N 1 0 385.917 2.229 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000874096531 653262102 /nfs/dbraw/zinc/26/21/02/653262102.db2.gz PCXSAQKLYMGDOR-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000684131493 653262462 /nfs/dbraw/zinc/26/24/62/653262462.db2.gz OBQUEBOXCLUEHL-LBPRGKRZSA-N 1 0 379.262 2.246 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)cnc1Br ZINC000874121053 653265540 /nfs/dbraw/zinc/26/55/40/653265540.db2.gz JEXDYPLGKDCTMN-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Br)s1 ZINC000874123694 653266014 /nfs/dbraw/zinc/26/60/14/653266014.db2.gz RMSNJRCJCSNKRV-QMMMGPOBSA-N 1 0 393.307 2.299 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000856986427 653266469 /nfs/dbraw/zinc/26/64/69/653266469.db2.gz WFPHSORKXCBIMK-STQMWFEESA-N 1 0 399.333 2.274 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000856986425 653266893 /nfs/dbraw/zinc/26/68/93/653266893.db2.gz WFPHSORKXCBIMK-BETUJISGSA-N 1 0 399.333 2.274 20 0 GEADRO CCc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)[NH+](C)C)cc1 ZINC000774947555 653273025 /nfs/dbraw/zinc/27/30/25/653273025.db2.gz OFMGQTXNUGLDON-HUUCEWRRSA-N 1 0 386.323 2.278 20 0 GEADRO C[C@](O)(CO)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000684536857 653273683 /nfs/dbraw/zinc/27/36/83/653273683.db2.gz WQCMDQCRSNRUQN-QGZVFWFLSA-N 1 0 381.270 2.256 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857012975 653274505 /nfs/dbraw/zinc/27/45/05/653274505.db2.gz AFBDZDWYYIQIFM-LBPRGKRZSA-N 1 0 399.333 2.416 20 0 GEADRO Cc1cc(Br)cc(C[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000774976161 653277682 /nfs/dbraw/zinc/27/76/82/653277682.db2.gz JMGARZQMRCWGBG-UHFFFAOYSA-N 1 0 390.281 2.262 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774987412 653278802 /nfs/dbraw/zinc/27/88/02/653278802.db2.gz VNYGLIQBXKYVEZ-UHFFFAOYSA-N 1 0 392.344 2.478 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)CC[C@@H]21 ZINC000874171795 653279250 /nfs/dbraw/zinc/27/92/50/653279250.db2.gz FRUNRDOZWAYWAJ-YGRLFVJLSA-N 1 0 384.249 2.079 20 0 GEADRO Cc1cc(Br)cc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1 ZINC000774991690 653279639 /nfs/dbraw/zinc/27/96/39/653279639.db2.gz IYVWTCXMBYREAS-UHFFFAOYSA-N 1 0 389.359 2.356 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)CC[C@@H]21 ZINC000874174095 653279920 /nfs/dbraw/zinc/27/99/20/653279920.db2.gz QDUYFVDWVVIJFX-HZMBPMFUSA-N 1 0 384.249 2.079 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000874174039 653279951 /nfs/dbraw/zinc/27/99/51/653279951.db2.gz JQFZVDQDYRFRCE-QMTHXVAHSA-N 1 0 386.279 2.493 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)CC[C@H]21 ZINC000874174103 653280396 /nfs/dbraw/zinc/28/03/96/653280396.db2.gz QDUYFVDWVVIJFX-QMTHXVAHSA-N 1 0 384.249 2.079 20 0 GEADRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000857080309 653282404 /nfs/dbraw/zinc/28/24/04/653282404.db2.gz FYDZGTXFNRJEDD-AAEUAGOBSA-N 1 0 396.481 2.108 20 0 GEADRO C[C@H](O)c1ncc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 ZINC000809612154 653283847 /nfs/dbraw/zinc/28/38/47/653283847.db2.gz WCWRZUDHBPCTFR-ZDUSSCGKSA-N 1 0 381.523 2.271 20 0 GEADRO Cc1c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)sc2nc(C)nc(C)c12 ZINC000809694072 653290340 /nfs/dbraw/zinc/29/03/40/653290340.db2.gz IVBHXEZOQZYSTC-UHFFFAOYSA-N 1 0 382.555 2.378 20 0 GEADRO C[NH+](C)CC1(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CCC1 ZINC000684942558 653290841 /nfs/dbraw/zinc/29/08/41/653290841.db2.gz NOAGBGUUFRMWBU-OAHLLOKOSA-N 1 0 394.313 2.403 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000685080519 653292922 /nfs/dbraw/zinc/29/29/22/653292922.db2.gz QDDPGWHDYCKQDD-UHFFFAOYSA-N 1 0 390.245 2.438 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN(CC[NH+](C)C)CC(C)C ZINC000809729250 653292948 /nfs/dbraw/zinc/29/29/48/653292948.db2.gz BZGGSAZMZHVLMH-HNNXBMFYSA-N 1 0 390.981 2.224 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000685101892 653294591 /nfs/dbraw/zinc/29/45/91/653294591.db2.gz KCOUZZFQUSZUQJ-INIZCTEOSA-N 1 0 394.313 2.070 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)c1c(Br)nc2n1CCOC2 ZINC000857179253 653294758 /nfs/dbraw/zinc/29/47/58/653294758.db2.gz LTQQMFZIKXXZQC-UHFFFAOYSA-N 1 0 387.322 2.370 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)C1 ZINC000775163446 653296037 /nfs/dbraw/zinc/29/60/37/653296037.db2.gz MAKWVUKJCLCHMN-CABCVRRESA-N 1 0 384.307 2.029 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000685103006 653296562 /nfs/dbraw/zinc/29/65/62/653296562.db2.gz GAWZVJWATNCJHM-ZDUSSCGKSA-N 1 0 394.313 2.140 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000685103421 653297083 /nfs/dbraw/zinc/29/70/83/653297083.db2.gz ZOLSLXUFEVQMRZ-UHFFFAOYSA-N 1 0 396.329 2.316 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000775166307 653297514 /nfs/dbraw/zinc/29/75/14/653297514.db2.gz WPIPGXUHGVFFIA-KFWWJZLASA-N 1 0 390.355 2.409 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000857196636 653297624 /nfs/dbraw/zinc/29/76/24/653297624.db2.gz CZCVDGXBGYPKOX-NSHDSACASA-N 1 0 385.306 2.026 20 0 GEADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775168540 653298042 /nfs/dbraw/zinc/29/80/42/653298042.db2.gz PRJIFSHNWASVTA-AWEZNQCLSA-N 1 0 378.344 2.267 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)C1 ZINC000775167999 653298407 /nfs/dbraw/zinc/29/84/07/653298407.db2.gz DXLKLZJWDILSLL-JHJVBQTASA-N 1 0 378.344 2.169 20 0 GEADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000775177836 653300742 /nfs/dbraw/zinc/30/07/42/653300742.db2.gz AXIWVZAFZWPWDV-HUUCEWRRSA-N 1 0 384.307 2.250 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000685610594 653308613 /nfs/dbraw/zinc/30/86/13/653308613.db2.gz CIFLBNUAPFOGBN-OLZOCXBDSA-N 1 0 375.560 2.344 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 ZINC000809860517 653311601 /nfs/dbraw/zinc/31/16/01/653311601.db2.gz QIXIDEXJKXENPK-LLVKDONJSA-N 1 0 378.441 2.150 20 0 GEADRO Cc1ccc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)c(Br)n1 ZINC000775351577 653311912 /nfs/dbraw/zinc/31/19/12/653311912.db2.gz MYPAWOWWWYCLRU-UHFFFAOYSA-N 1 0 385.306 2.463 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000874363189 653312111 /nfs/dbraw/zinc/31/21/11/653312111.db2.gz NTWZCNXLUIWSIH-ZIAGYGMSSA-N 1 0 384.249 2.222 20 0 GEADRO CC[C@H](CSC)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000775419133 653313333 /nfs/dbraw/zinc/31/33/33/653313333.db2.gz GAYRXPWJRAOKEG-TZMCWYRMSA-N 1 0 394.584 2.204 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000874365228 653313386 /nfs/dbraw/zinc/31/33/86/653313386.db2.gz BIPYOLAXWJUSQU-CABCVRRESA-N 1 0 380.286 2.391 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000874367470 653313621 /nfs/dbraw/zinc/31/36/21/653313621.db2.gz KZKQMVSUJDVEGA-KGLIPLIRSA-N 1 0 384.249 2.222 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000874370607 653314526 /nfs/dbraw/zinc/31/45/26/653314526.db2.gz YUYVYQHTIGWLCY-GJZGRUSLSA-N 1 0 396.285 2.091 20 0 GEADRO CC1(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)OCCO1 ZINC000775555887 653316663 /nfs/dbraw/zinc/31/66/63/653316663.db2.gz SGOQHJOOPJSUFK-CYBMUJFWSA-N 1 0 390.299 2.410 20 0 GEADRO CCn1ncc(C(=O)N(CCOC)CC[NH+](CC)CC)c1Br ZINC000874383182 653316719 /nfs/dbraw/zinc/31/67/19/653316719.db2.gz QRPWKXNXLKOTLE-UHFFFAOYSA-N 1 0 375.311 2.096 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2csc(Br)n2)CC1 ZINC000874442597 653319012 /nfs/dbraw/zinc/31/90/12/653319012.db2.gz RIRFPUGGESKMQZ-GFCCVEGCSA-N 1 0 387.347 2.148 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000835970250 653321051 /nfs/dbraw/zinc/32/10/51/653321051.db2.gz MRAIBRWATAMHMH-UHFFFAOYSA-N 1 0 395.301 2.224 20 0 GEADRO Cn1ncc(Br)c1C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000706837696 653321662 /nfs/dbraw/zinc/32/16/62/653321662.db2.gz BCQHNHCCKGBBJH-UHFFFAOYSA-N 1 0 375.270 2.141 20 0 GEADRO CSC1(CNS(=O)(=O)c2c(Cl)ccnc2Cl)CC[NH+](C)CC1 ZINC000810084077 653322510 /nfs/dbraw/zinc/32/25/10/653322510.db2.gz QACSHSUJFIAQKA-UHFFFAOYSA-N 1 0 384.354 2.494 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000836088743 653330101 /nfs/dbraw/zinc/33/01/01/653330101.db2.gz HHYPEIIPSYTBST-GFCCVEGCSA-N 1 0 383.290 2.032 20 0 GEADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000810222346 653331242 /nfs/dbraw/zinc/33/12/42/653331242.db2.gz QWIZMCAVWRZUQG-DPIJAWOKSA-N 1 0 384.567 2.381 20 0 GEADRO Cc1ccc([C@H](CNC(=O)c2c(Br)nnn2C)[NH+]2CCCC2)cc1 ZINC000810268818 653332752 /nfs/dbraw/zinc/33/27/52/653332752.db2.gz ZPQGIJYIWHETRH-AWEZNQCLSA-N 1 0 392.301 2.453 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000874828268 653338182 /nfs/dbraw/zinc/33/81/82/653338182.db2.gz GRBWXFMUMKCHFI-QWHCGFSZSA-N 1 0 379.258 2.340 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cnc(Br)cc1C ZINC000810489670 653342074 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GEADRO Cc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2Br)N2CCOCC2)o1 ZINC000858090052 653348027 /nfs/dbraw/zinc/34/80/27/653348027.db2.gz IGQXHAXTKIJIRJ-CQSZACIVSA-N 1 0 383.290 2.247 20 0 GEADRO C[C@H](NC(=O)NC[C@H](O)c1ccccc1Br)C1=CC[N@H+](C)CC1 ZINC000836395187 653350019 /nfs/dbraw/zinc/35/00/19/653350019.db2.gz RILMYFLMIGSXOU-LRDDRELGSA-N 1 0 382.302 2.432 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c(Br)n1 ZINC000858155831 653351159 /nfs/dbraw/zinc/35/11/59/653351159.db2.gz PAQBSSDBEAFWFE-LLVKDONJSA-N 1 0 385.693 2.270 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000776495384 653351682 /nfs/dbraw/zinc/35/16/82/653351682.db2.gz ZGIMLOJTYRYHNX-ZFWWWQNUSA-N 1 0 389.949 2.091 20 0 GEADRO O[C@H](C[NH2+]Cc1c(F)ccc(C(F)(F)F)c1Br)Cn1ccnn1 ZINC000858178256 653352779 /nfs/dbraw/zinc/35/27/79/653352779.db2.gz SYIOEOVZEYUABU-MRVPVSSYSA-N 1 0 397.170 2.349 20 0 GEADRO Cc1cc(C[NH2+]CCCCn2cc(C(N)=O)nn2)c(Br)cc1F ZINC000858179835 653352796 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2.190 20 0 GEADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810850048 653361950 /nfs/dbraw/zinc/36/19/50/653361950.db2.gz BGEDHCGXHFZLPQ-CABCVRRESA-N 1 0 386.901 2.178 20 0 GEADRO CN(CC(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)c1ccc(Br)o1 ZINC000810852217 653361963 /nfs/dbraw/zinc/36/19/63/653361963.db2.gz VXPBSWPYBGSQMY-VXGBXAGGSA-N 1 0 385.258 2.284 20 0 GEADRO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1cc(F)c(Br)cc1F ZINC000858408017 653362987 /nfs/dbraw/zinc/36/29/87/653362987.db2.gz PCQXWKKWQZBPDP-QMMMGPOBSA-N 1 0 383.258 2.269 20 0 GEADRO O=C(NCCn1cc(Br)cn1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000858452090 653364364 /nfs/dbraw/zinc/36/43/64/653364364.db2.gz GDKZAIAMOSYWMU-OAHLLOKOSA-N 1 0 384.322 2.352 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1nc(Br)cs1 ZINC000858489627 653365717 /nfs/dbraw/zinc/36/57/17/653365717.db2.gz IUVYDYJGLRPLSC-NXEZZACHSA-N 1 0 394.302 2.273 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000836675028 653367422 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COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000858615181 653370793 /nfs/dbraw/zinc/37/07/93/653370793.db2.gz FSDSNXZVXJYJKK-LBPRGKRZSA-N 1 0 395.294 2.215 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000858615359 653370816 /nfs/dbraw/zinc/37/08/16/653370816.db2.gz SRTQLLLPVMRHDI-QWRGUYRKSA-N 1 0 375.878 2.124 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c3nonc32)CC[C@@H]1C(F)(F)F ZINC000858623508 653371493 /nfs/dbraw/zinc/37/14/93/653371493.db2.gz KRVIAUKZIGOLPZ-YUMQZZPRSA-N 1 0 398.794 2.024 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)C2=Cc3ccccc3OC2)CC[C@H]1C(F)(F)F ZINC000858623458 653371589 /nfs/dbraw/zinc/37/15/89/653371589.db2.gz JKGGNNAHIJXHOW-GXTWGEPZSA-N 1 0 376.400 2.209 20 0 GEADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCCC(C)(C)S(C)(=O)=O ZINC000875668044 653383199 /nfs/dbraw/zinc/38/31/99/653383199.db2.gz VGNKBUMENNCZTN-UHFFFAOYSA-N 1 0 375.579 2.209 20 0 GEADRO Cn1nnc(Br)c1COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000875760732 653388402 /nfs/dbraw/zinc/38/84/02/653388402.db2.gz JVRBBXFBYAUBPS-CYBMUJFWSA-N 1 0 379.258 2.143 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000858962551 653388672 /nfs/dbraw/zinc/38/86/72/653388672.db2.gz RXDIHQDSGFUYRK-LLVKDONJSA-N 1 0 375.878 2.138 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1cc(Cl)cc(Cl)c1F ZINC000875800620 653391700 /nfs/dbraw/zinc/39/17/00/653391700.db2.gz OHVUQQFXQULHTG-ZDUSSCGKSA-N 1 0 391.274 2.272 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859040871 653396152 /nfs/dbraw/zinc/39/61/52/653396152.db2.gz ICTBMTREDLNZPF-NSHDSACASA-N 1 0 394.310 2.336 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)cc1Cl ZINC000859075215 653401676 /nfs/dbraw/zinc/40/16/76/653401676.db2.gz NVAUVPFVMOQDSX-UHFFFAOYSA-N 1 0 377.894 2.479 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(c2ccc3ccc(Br)cc3n2)CC1 ZINC000811726012 653403920 /nfs/dbraw/zinc/40/39/20/653403920.db2.gz IZVKEPRUFCBWIR-UHFFFAOYSA-N 1 0 377.286 2.208 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(I)ccc3F)C[C@@H]2C1 ZINC000812329198 653422960 /nfs/dbraw/zinc/42/29/60/653422960.db2.gz HJZQAKRFZVIOMB-MNOVXSKESA-N 1 0 388.224 2.454 20 0 GEADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc(Br)c(C)s1 ZINC000876475070 653431045 /nfs/dbraw/zinc/43/10/45/653431045.db2.gz KMWWLFYVPWDSMA-OAHLLOKOSA-N 1 0 391.331 2.238 20 0 GEADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(F)c(Br)c1 ZINC000876473132 653431142 /nfs/dbraw/zinc/43/11/42/653431142.db2.gz MVTNNFPGHPUEEM-MRXNPFEDSA-N 1 0 389.265 2.007 20 0 GEADRO CC(C)n1ncc(C(=O)NC2(C[NH3+])CCCC2)c1I ZINC000876530395 653433947 /nfs/dbraw/zinc/43/39/47/653433947.db2.gz NGVKVERCBNZMNG-UHFFFAOYSA-N 1 0 376.242 2.070 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876589620 653437156 /nfs/dbraw/zinc/43/71/56/653437156.db2.gz NLISLFZKMKEYHI-NHYWBVRUSA-N 1 0 388.270 2.225 20 0 GEADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000876629358 653438585 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[NH3+]C[C@H]1CN(C(=O)COc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000877359671 653478601 /nfs/dbraw/zinc/47/86/01/653478601.db2.gz IDYUPKSBXKSTEX-VHSXEESVSA-N 1 0 381.192 2.424 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000859660829 653480332 /nfs/dbraw/zinc/48/03/32/653480332.db2.gz UGWMXMHBMVOJNE-IMTBSYHQSA-N 1 0 378.068 2.479 20 0 GEADRO COC(=O)C[C@@]1([NH2+]Cc2ccc(C(=O)OC)c(Br)c2)CCOC1 ZINC000877380883 653485463 /nfs/dbraw/zinc/48/54/63/653485463.db2.gz WXANJRXSIQQFOC-INIZCTEOSA-N 1 0 386.242 2.048 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877392066 653492676 /nfs/dbraw/zinc/49/26/76/653492676.db2.gz FDBPWRGXXDJZBQ-DYVFJYSZSA-N 1 0 376.507 2.400 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000859687026 653496147 /nfs/dbraw/zinc/49/61/47/653496147.db2.gz GNVWYKRSBSVEDD-LLVKDONJSA-N 1 0 383.290 2.496 20 0 GEADRO COCCO[C@H]1COCC[C@H]1NCc1nc(Cl)ccc1Br ZINC000877425117 653508909 /nfs/dbraw/zinc/50/89/09/653508909.db2.gz 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C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)C1=O ZINC000838799253 653630431 /nfs/dbraw/zinc/63/04/31/653630431.db2.gz XHGFGXOSMKAUAG-IUODEOHRSA-N 1 0 380.286 2.396 20 0 GEADRO C[C@@H](Sc1nc(CC(=O)Nc2cccc(C[NH+](C)C)c2)cs1)C(N)=O ZINC000878208518 653631595 /nfs/dbraw/zinc/63/15/95/653631595.db2.gz RWBQEFWWQPFZQD-LLVKDONJSA-N 1 0 378.523 2.352 20 0 GEADRO C[C@@H](Sc1nc(CC(=O)NC2CC[NH+](C(C)(C)C)CC2)cs1)C(N)=O ZINC000878336269 653634802 /nfs/dbraw/zinc/63/48/02/653634802.db2.gz WPIFWUKYICXDSX-LLVKDONJSA-N 1 0 384.571 2.031 20 0 GEADRO Cn1ncc(Br)c1CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000878333471 653634831 /nfs/dbraw/zinc/63/48/31/653634831.db2.gz VIVOHUZPILFJKW-HNNXBMFYSA-N 1 0 383.265 2.283 20 0 GEADRO C[C@H](Sc1nc(CC(=O)NC2CC[NH+](C(C)(C)C)CC2)cs1)C(N)=O ZINC000878336270 653634986 /nfs/dbraw/zinc/63/49/86/653634986.db2.gz WPIFWUKYICXDSX-NSHDSACASA-N 1 0 384.571 2.031 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@H]1SC ZINC000838942515 653636326 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20 0 GEADRO OC[C@]1([N@@H+](Cc2ccccc2)C[C@H](O)c2cc(Br)no2)CCOC1 ZINC000878552987 653640753 /nfs/dbraw/zinc/64/07/53/653640753.db2.gz WAGIITZTSBMAQF-WMLDXEAASA-N 1 0 397.269 2.124 20 0 GEADRO OC[C@@]1([N@@H+](Cc2ccccc2)C[C@H](O)c2cc(Br)no2)CCOC1 ZINC000878552989 653640781 /nfs/dbraw/zinc/64/07/81/653640781.db2.gz WAGIITZTSBMAQF-YOEHRIQHSA-N 1 0 397.269 2.124 20 0 GEADRO CC[C@H](Sc1nc(CC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cs1)C(N)=O ZINC000878578628 653641501 /nfs/dbraw/zinc/64/15/01/653641501.db2.gz ZNQARBFHJGAVGS-JSGCOSHPSA-N 1 0 384.571 2.031 20 0 GEADRO C[C@@]12CC[N@H+](C[C@@H](O)CN3C(=O)c4ccccc4C3=O)C[C@@H]1C2(Cl)Cl ZINC000878571360 653641519 /nfs/dbraw/zinc/64/15/19/653641519.db2.gz RNKQJBHMQSDHKF-HYSWKAIVSA-N 1 0 383.275 2.159 20 0 GEADRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878642211 653643477 /nfs/dbraw/zinc/64/34/77/653643477.db2.gz XVLWXYSLTSXWRQ-SUMWQHHRSA-N 1 0 395.253 2.287 20 0 GEADRO C[C@H](CNC(=O)c1cnn(C)c1I)[N@@H+]1CCCC[C@@H]1C ZINC000815016579 653643808 /nfs/dbraw/zinc/64/38/08/653643808.db2.gz ZHSJWYPKBCWELI-WDEREUQCSA-N 1 0 390.269 2.017 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1 ZINC000815018406 653643872 /nfs/dbraw/zinc/64/38/72/653643872.db2.gz PCWSGGQCIDFKNQ-UHFFFAOYSA-N 1 0 385.917 2.443 20 0 GEADRO Cc1nc2n(n1)C[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)CC2 ZINC000815042104 653647649 /nfs/dbraw/zinc/64/76/49/653647649.db2.gz VEOJRIVXDYSCRL-WBMJQRKESA-N 1 0 383.265 2.300 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(Br)cc1O ZINC000781958258 653652386 /nfs/dbraw/zinc/65/23/86/653652386.db2.gz UAEUFJVBVJLVOD-BFYDXBDKSA-N 1 0 397.313 2.407 20 0 GEADRO Cn1nc(C(F)(F)F)c(CN2CCN(CC[NH+]3CCCC3)CC2)c1Cl ZINC000782149989 653655626 /nfs/dbraw/zinc/65/56/26/653655626.db2.gz LGLYQXVRKWRFDT-UHFFFAOYSA-N 1 0 379.858 2.306 20 0 GEADRO NC(=O)[C@H](F)C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000879041281 653656030 /nfs/dbraw/zinc/65/60/30/653656030.db2.gz NPAXWCQODLBNAI-UKRRQHHQSA-N 1 0 379.259 2.269 20 0 GEADRO NC(=O)[C@H](F)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000879043525 653656287 /nfs/dbraw/zinc/65/62/87/653656287.db2.gz DRRWFTSSPOHSFG-OAHLLOKOSA-N 1 0 386.265 2.313 20 0 GEADRO COc1cc(Br)cc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000879065921 653657729 /nfs/dbraw/zinc/65/77/29/653657729.db2.gz KIIOSJSNCJPRTK-LBPRGKRZSA-N 1 0 386.290 2.424 20 0 GEADRO COC(=O)c1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cs1 ZINC000839616226 653657882 /nfs/dbraw/zinc/65/78/82/653657882.db2.gz UBGWZTJMCVTOSE-VXGBXAGGSA-N 1 0 376.400 2.377 20 0 GEADRO C[N@@H+](Cc1ccc(OCC(N)=O)cc1)C[C@H](O)c1cccc(Br)c1 ZINC000839638633 653659049 /nfs/dbraw/zinc/65/90/49/653659049.db2.gz GHHMRGMWZJFITB-KRWDZBQOSA-N 1 0 393.281 2.479 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)c1ccc(Br)s1 ZINC000839689361 653660241 /nfs/dbraw/zinc/66/02/41/653660241.db2.gz NHJHYVQUYIYFBF-LLVKDONJSA-N 1 0 389.315 2.263 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861488097 653660215 /nfs/dbraw/zinc/66/02/15/653660215.db2.gz AXSBNOSMKPXITC-CYBMUJFWSA-N 1 0 393.285 2.466 20 0 GEADRO CC(C)c1ncsc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861513644 653660359 /nfs/dbraw/zinc/66/03/59/653660359.db2.gz KTUQRERMZULQNN-NXEZZACHSA-N 1 0 378.420 2.191 20 0 GEADRO O=C(NCCC[C@H]1CC1(Cl)Cl)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000861505475 653660403 /nfs/dbraw/zinc/66/04/03/653660403.db2.gz FZFLGDBCLGUAOQ-LBPRGKRZSA-N 1 0 386.279 2.197 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000861518079 653660672 /nfs/dbraw/zinc/66/06/72/653660672.db2.gz YYEIRMPKRIIQOA-UHFFFAOYSA-N 1 0 395.859 2.288 20 0 GEADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2c(Br)cnn2C)o1 ZINC000879152073 653660824 /nfs/dbraw/zinc/66/08/24/653660824.db2.gz JFZNDROOWXHJCB-UHFFFAOYSA-N 1 0 383.290 2.217 20 0 GEADRO C[NH+](C)CCCNC(=S)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000782411210 653661187 /nfs/dbraw/zinc/66/11/87/653661187.db2.gz REBHKJXKZLFVTB-CQSZACIVSA-N 1 0 385.375 2.444 20 0 GEADRO Cn1nc(C(F)(F)F)c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1Cl ZINC000782484624 653662353 /nfs/dbraw/zinc/66/23/53/653662353.db2.gz CMLIPHYIDVEHHW-GFCCVEGCSA-N 1 0 379.858 2.304 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000861613163 653662390 /nfs/dbraw/zinc/66/23/90/653662390.db2.gz XPARLDLGETXQIR-CYBMUJFWSA-N 1 0 383.334 2.402 20 0 GEADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N(C)C2CCOCC2)CC1 ZINC000782486099 653662559 /nfs/dbraw/zinc/66/25/59/653662559.db2.gz MLQDZVKDWAJRCA-UHFFFAOYSA-N 1 0 375.579 2.176 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861615797 653662592 /nfs/dbraw/zinc/66/25/92/653662592.db2.gz XCZRJRINQLMLTN-VVLHAWIVSA-N 1 0 385.599 2.166 20 0 GEADRO C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000861669178 653664235 /nfs/dbraw/zinc/66/42/35/653664235.db2.gz LHXHUKYODNRZHU-QMTHXVAHSA-N 1 0 376.284 2.222 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)CCOCC1 ZINC000861670036 653664263 /nfs/dbraw/zinc/66/42/63/653664263.db2.gz IKIFUBGERIOEOG-HNNXBMFYSA-N 1 0 398.301 2.040 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815831019 653666376 /nfs/dbraw/zinc/66/63/76/653666376.db2.gz VNRVNOPDCGXROW-QGZVFWFLSA-N 1 0 395.301 2.035 20 0 GEADRO CS[C@H]1CN(C(=O)c2cn3c(Br)cnc3s2)C[C@H]1[NH+](C)C ZINC000815878514 653667152 /nfs/dbraw/zinc/66/71/52/653667152.db2.gz IPVVTWXHOCVVSV-BDAKNGLRSA-N 1 0 389.344 2.276 20 0 GEADRO CC[NH+](CC)CCCC1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000782749216 653669545 /nfs/dbraw/zinc/66/95/45/653669545.db2.gz GOFWRHKTRLBNHB-QGZVFWFLSA-N 1 0 390.615 2.267 20 0 GEADRO O=C(Cc1cccnc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861986231 653672460 /nfs/dbraw/zinc/67/24/60/653672460.db2.gz KAVHWYPEPPWHJU-UHFFFAOYSA-N 1 0 382.302 2.100 20 0 GEADRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879560334 653672987 /nfs/dbraw/zinc/67/29/87/653672987.db2.gz GHOXQZWLZPFOBC-KGLIPLIRSA-N 1 0 381.929 2.388 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000782980673 653673280 /nfs/dbraw/zinc/67/32/80/653673280.db2.gz XBOTYJPQYCMAMA-BDJLRTHQSA-N 1 0 399.310 2.481 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(CCS(=O)(=O)c3cccc(Br)c3)CC[C@H]21 ZINC000879572320 653673402 /nfs/dbraw/zinc/67/34/02/653673402.db2.gz GEMOTPDFRLKYMA-XJKSGUPXSA-N 1 0 387.343 2.249 20 0 GEADRO COC(=O)c1nn(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1Br ZINC000840087224 653673872 /nfs/dbraw/zinc/67/38/72/653673872.db2.gz QSYBMHCRWWPKLQ-INIZCTEOSA-N 1 0 385.306 2.116 20 0 GEADRO Cc1cnc(Br)c(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000879620468 653674422 /nfs/dbraw/zinc/67/44/22/653674422.db2.gz NVFNPQQBBFMLCX-UHFFFAOYSA-N 1 0 396.333 2.396 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cnsn1)c1ccc(Cl)c(Cl)c1 ZINC000862094898 653675504 /nfs/dbraw/zinc/67/55/04/653675504.db2.gz FNXOEHTZRMSZOO-NSHDSACASA-N 1 0 388.280 2.203 20 0 GEADRO Cn1nc(Br)cc1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000879644603 653676834 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Cc1cnc(Br)c(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000841182106 653709291 /nfs/dbraw/zinc/70/92/91/653709291.db2.gz DQWJMELOMWWKPN-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)Nc1ccc(Br)nc1 ZINC000841182114 653709386 /nfs/dbraw/zinc/70/93/86/653709386.db2.gz DXGCWULWSVYBMF-UHFFFAOYSA-N 1 0 383.290 2.211 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000841182495 653709482 /nfs/dbraw/zinc/70/94/82/653709482.db2.gz NURGXFIGNJRZNG-IUCAKERBSA-N 1 0 389.681 2.022 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)c(Br)c1 ZINC000841190113 653709699 /nfs/dbraw/zinc/70/96/99/653709699.db2.gz PYVAGOULOWSEND-UHFFFAOYSA-N 1 0 384.274 2.125 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841199210 653710274 /nfs/dbraw/zinc/71/02/74/653710274.db2.gz BWEBNBZSNCTILF-QWRGUYRKSA-N 1 0 391.269 2.132 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817400088 653710379 /nfs/dbraw/zinc/71/03/79/653710379.db2.gz GCAJYYFHFMPYDC-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]C[C@H](Cc1ccccc1Cl)C(N)=O ZINC000785510883 653710934 /nfs/dbraw/zinc/71/09/34/653710934.db2.gz VEGQFAIEMBHDKE-NSHDSACASA-N 1 0 385.693 2.270 20 0 GEADRO CN(C(=O)c1ccc(S(C)(=O)=O)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000817432946 653711472 /nfs/dbraw/zinc/71/14/72/653711472.db2.gz WAKGUXQWMNKVLP-UHFFFAOYSA-N 1 0 382.507 2.369 20 0 GEADRO CN1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000841232002 653711458 /nfs/dbraw/zinc/71/14/58/653711458.db2.gz WISAIRDLXWCSDX-LLVKDONJSA-N 1 0 380.798 2.388 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000841240938 653712089 /nfs/dbraw/zinc/71/20/89/653712089.db2.gz XHNQMLWKZGYDDC-UHFFFAOYSA-N 1 0 397.317 2.459 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@@H](C)CCCC[NH3+])cnc(Cl)c1Br ZINC000841246118 653712237 /nfs/dbraw/zinc/71/22/37/653712237.db2.gz GURLAKCXLYWFRD-QMMMGPOBSA-N 1 0 391.697 2.378 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841280656 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O[C@@H](C[NH2+]C[C@@H]1COC2(CCCC2)O1)COc1ccc(Br)cc1 ZINC000819205510 653746222 /nfs/dbraw/zinc/74/62/22/653746222.db2.gz NIOFAJPJJNHBIF-GOEBONIOSA-N 1 0 386.286 2.464 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1F ZINC000819218112 653746531 /nfs/dbraw/zinc/74/65/31/653746531.db2.gz KGWXYBNWAFSCKY-PIGZYNQJSA-N 1 0 385.277 2.396 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(Br)cc1F ZINC000819221130 653746557 /nfs/dbraw/zinc/74/65/57/653746557.db2.gz IPYBAYWZQMRHOC-IUODEOHRSA-N 1 0 394.306 2.353 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(F)c(Br)c1 ZINC000819216011 653746605 /nfs/dbraw/zinc/74/66/05/653746605.db2.gz PRVLWLRFHBITNU-IUODEOHRSA-N 1 0 390.249 2.133 20 0 GEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cn1ccc(Br)cc1=O ZINC000864846267 653746776 /nfs/dbraw/zinc/74/67/76/653746776.db2.gz FUKRRWPKFOTNKL-UHFFFAOYSA-N 1 0 394.269 2.320 20 0 GEADRO CS(=O)(=O)CCCCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819243280 653747099 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GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000842479665 653757807 /nfs/dbraw/zinc/75/78/07/653757807.db2.gz CDCUBEWTGNRBQY-WPRPVWTQSA-N 1 0 381.267 2.003 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000842482062 653757964 /nfs/dbraw/zinc/75/79/64/653757964.db2.gz WNXUFHSHYNQLIM-UHFFFAOYSA-N 1 0 381.267 2.017 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)CC[C@@H]2CC2(Cl)Cl)ccn1 ZINC000882028936 653758152 /nfs/dbraw/zinc/75/81/52/653758152.db2.gz IRJBRNHTUKWKGG-CYBMUJFWSA-N 1 0 396.340 2.025 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000865264100 653758354 /nfs/dbraw/zinc/75/83/54/653758354.db2.gz BKGPSHVVYQFXAG-GDBMZVCRSA-N 1 0 383.583 2.142 20 0 GEADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000819825843 653758388 /nfs/dbraw/zinc/75/83/88/653758388.db2.gz YCTLMGVVPUSFST-GHMZBOCLSA-N 1 0 395.472 2.273 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842484940 653758427 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CS(=O)(=O)c1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)ccc1Br ZINC000842667144 653762174 /nfs/dbraw/zinc/76/21/74/653762174.db2.gz HBCQOILWUBTHCC-SNVBAGLBSA-N 1 0 386.271 2.370 20 0 GEADRO CC(C)Cn1nccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000842679763 653762727 /nfs/dbraw/zinc/76/27/27/653762727.db2.gz RPFKKMPJZORMRZ-UHFFFAOYSA-N 1 0 382.452 2.190 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000788670932 653762842 /nfs/dbraw/zinc/76/28/42/653762842.db2.gz LOKSDEAOASKPPH-XOKHGSTOSA-N 1 0 395.297 2.074 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)[C@@H](O)c1c(F)cccc1Cl ZINC000842687461 653762949 /nfs/dbraw/zinc/76/29/49/653762949.db2.gz ZIQCIIPWHMJLRL-JDNHERCYSA-N 1 0 390.839 2.477 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000842689700 653762992 /nfs/dbraw/zinc/76/29/92/653762992.db2.gz KBEZWJXEFDSUGF-PSASIEDQSA-N 1 0 382.711 2.388 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c(C)c1Cl ZINC000842710273 653764117 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COC(=O)c1sc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(C)c1Cl ZINC000842740542 653765663 /nfs/dbraw/zinc/76/56/63/653765663.db2.gz SXDKTBZSQKKDEN-SNVBAGLBSA-N 1 0 382.935 2.490 20 0 GEADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cccnc2Br)C1 ZINC000865461698 653765872 /nfs/dbraw/zinc/76/58/72/653765872.db2.gz YNUJIXYWBIFPRE-CYBMUJFWSA-N 1 0 375.270 2.312 20 0 GEADRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000842755353 653766066 /nfs/dbraw/zinc/76/60/66/653766066.db2.gz XOAKWLZOHKJSCP-FPMFFAJLSA-N 1 0 377.938 2.091 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CCC1CCS(=O)(=O)CC1)CC(F)F ZINC000865517948 653767372 /nfs/dbraw/zinc/76/73/72/653767372.db2.gz HJQQRIMKCKPZAS-CYBMUJFWSA-N 1 0 384.489 2.339 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(Cl)cc1Cl ZINC000842789202 653767373 /nfs/dbraw/zinc/76/73/73/653767373.db2.gz QQIIPJVVGCHLRB-DTWKUNHWSA-N 1 0 381.281 2.138 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842795831 653767816 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GEADRO CC(C)[NH+](CCN(C(=S)NC1(C)CC1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000789178262 653769963 /nfs/dbraw/zinc/76/99/63/653769963.db2.gz NJHIXUDWADWPRE-HNNXBMFYSA-N 1 0 375.604 2.021 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)ccc1Br ZINC000842827612 653770067 /nfs/dbraw/zinc/77/00/67/653770067.db2.gz MSNQDESKGUGHEX-OAHLLOKOSA-N 1 0 389.315 2.320 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)[C@@H]2C1 ZINC000820264933 653770496 /nfs/dbraw/zinc/77/04/96/653770496.db2.gz ULPYRAJSTPLACB-VZJVUDMVSA-N 1 0 378.270 2.037 20 0 GEADRO O=S(=O)(/C=C\c1ccccc1Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000842853088 653770669 /nfs/dbraw/zinc/77/06/69/653770669.db2.gz SAAIMBSDFFWPJD-MFNCVGGLSA-N 1 0 397.850 2.066 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000842859684 653770770 /nfs/dbraw/zinc/77/07/70/653770770.db2.gz LOAUPUJPPQHPGL-GFCCVEGCSA-N 1 0 379.404 2.079 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])ccc1Br ZINC000842870340 653771154 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CN(C(=O)c1ccc(I)cc1O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865716870 653772623 /nfs/dbraw/zinc/77/26/23/653772623.db2.gz GPYHBRNBROUUNP-GFCCVEGCSA-N 1 0 386.233 2.306 20 0 GEADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842896083 653772680 /nfs/dbraw/zinc/77/26/80/653772680.db2.gz JYMYCASCVDCLEE-RNCFNFMXSA-N 1 0 379.707 2.226 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)cn2)[C@@H](O)C1 ZINC000865748285 653773705 /nfs/dbraw/zinc/77/37/05/653773705.db2.gz SOCUQRQSCHVCCB-KGLIPLIRSA-N 1 0 386.290 2.304 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000865771693 653774521 /nfs/dbraw/zinc/77/45/21/653774521.db2.gz YKQVDGVYLFVNES-BZNIZROVSA-N 1 0 387.249 2.330 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000865792590 653775212 /nfs/dbraw/zinc/77/52/12/653775212.db2.gz VJQUWUBNSBVCIU-RCCFBDPRSA-N 1 0 392.341 2.089 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000865791304 653775275 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CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnn4cccc(Br)c34)[C@H]2C1 ZINC000820587854 653777315 /nfs/dbraw/zinc/77/73/15/653777315.db2.gz IMUBSIRDNVJSTA-LSDHHAIUSA-N 1 0 393.285 2.032 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc2nnc(Br)n2n1 ZINC000882360679 653777979 /nfs/dbraw/zinc/77/79/79/653777979.db2.gz UHCNUEBTRLIIRV-UHFFFAOYSA-N 1 0 379.262 2.438 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000843049672 653778080 /nfs/dbraw/zinc/77/80/80/653778080.db2.gz RFWFRWWNBPTZJM-NWDGAFQWSA-N 1 0 384.933 2.074 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000843049000 653778120 /nfs/dbraw/zinc/77/81/20/653778120.db2.gz FAXRNDKNXKOJHE-BDAKNGLRSA-N 1 0 381.782 2.462 20 0 GEADRO O[C@@H](CNC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(Br)c1 ZINC000843061276 653778221 /nfs/dbraw/zinc/77/82/21/653778221.db2.gz DJVUIUDAOKKBEZ-BBRMVZONSA-N 1 0 375.282 2.058 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000843085249 653778703 /nfs/dbraw/zinc/77/87/03/653778703.db2.gz HAERVLGJWNCWBP-BXUZGUMPSA-N 1 0 376.856 2.378 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000843086072 653778907 /nfs/dbraw/zinc/77/89/07/653778907.db2.gz HAERVLGJWNCWBP-SMDDNHRTSA-N 1 0 376.856 2.378 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)Cc1cccc(Br)c1 ZINC000843109821 653779669 /nfs/dbraw/zinc/77/96/69/653779669.db2.gz HBDYUJAAWLRDDQ-CXAGYDPISA-N 1 0 383.261 2.457 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)Cc1cccc(Br)c1 ZINC000843109822 653779701 /nfs/dbraw/zinc/77/97/01/653779701.db2.gz HBDYUJAAWLRDDQ-DYVFJYSZSA-N 1 0 383.261 2.457 20 0 GEADRO C[C@](O)(C[NH2+][C@@H](CO)CN1CCCCC1)c1ccc(Br)cc1F ZINC000843113214 653779816 /nfs/dbraw/zinc/77/98/16/653779816.db2.gz PFQZKARLSQKEQB-PBHICJAKSA-N 1 0 389.309 2.232 20 0 GEADRO [NH3+]C1CCN(c2ccc(-c3noc(CSc4nncs4)n3)cn2)CC1 ZINC000843147149 653780429 /nfs/dbraw/zinc/78/04/29/653780429.db2.gz CEWYIYSRLSTWCP-UHFFFAOYSA-N 1 0 375.483 2.203 20 0 GEADRO CC(C)[C@H]([NH3+])c1noc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000843149371 653780511 /nfs/dbraw/zinc/78/05/11/653780511.db2.gz DEAOQFDVQJELIM-LBPRGKRZSA-N 1 0 378.376 2.223 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cnc1Cl ZINC000882432294 653781452 /nfs/dbraw/zinc/78/14/52/653781452.db2.gz QCFFHFWZPYYNHZ-JSGCOSHPSA-N 1 0 375.922 2.485 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCc1cc(Br)cs1)[NH+]1CCCCC1 ZINC000789875927 653782207 /nfs/dbraw/zinc/78/22/07/653782207.db2.gz CLKQTXMGEOPJID-LLVKDONJSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000820792800 653783657 /nfs/dbraw/zinc/78/36/57/653783657.db2.gz IIGJJSHBMLFHAY-SNVBAGLBSA-N 1 0 379.309 2.218 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000882483868 653784302 /nfs/dbraw/zinc/78/43/02/653784302.db2.gz MMLBCPUSEOAYBF-CHWSQXEVSA-N 1 0 380.286 2.012 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000882487485 653784608 /nfs/dbraw/zinc/78/46/08/653784608.db2.gz FDALTDFCBKGXNW-GFCCVEGCSA-N 1 0 387.933 2.241 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)ncc1Br ZINC000882498559 653785052 /nfs/dbraw/zinc/78/50/52/653785052.db2.gz WMPFLHIATJQQLW-MRVPVSSYSA-N 1 0 377.080 2.431 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000843370021 653785784 /nfs/dbraw/zinc/78/57/84/653785784.db2.gz ARCPDWDWEDPDEO-OAHLLOKOSA-N 1 0 393.285 2.401 20 0 GEADRO Cn1cnnc1Sc1ccc(NC(=O)CO[C@H]2CCC[NH2+]C2)cc1Cl ZINC000843414129 653786533 /nfs/dbraw/zinc/78/65/33/653786533.db2.gz VSTOQWUTVMHLEX-LBPRGKRZSA-N 1 0 381.889 2.327 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc(Cl)n1 ZINC000843437918 653787017 /nfs/dbraw/zinc/78/70/17/653787017.db2.gz AXWXMNMSBWAWGD-ILXRZTDVSA-N 1 0 385.917 2.002 20 0 GEADRO Cc1ccc(/C=C\C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000843481331 653787954 /nfs/dbraw/zinc/78/79/54/653787954.db2.gz RWLOJDDGTAHQLO-AWFCHZOYSA-N 1 0 378.314 2.277 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000843480362 653787982 /nfs/dbraw/zinc/78/79/82/653787982.db2.gz WKKLMERZZDMPFM-ZETOZRRWSA-N 1 0 379.917 2.390 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000866194955 653788520 /nfs/dbraw/zinc/78/85/20/653788520.db2.gz ZWOPZDASYQZBED-RHSMWYFYSA-N 1 0 396.329 2.427 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1csc(Br)n1 ZINC000821042674 653789395 /nfs/dbraw/zinc/78/93/95/653789395.db2.gz JXARCTFCUCOOQC-CHWSQXEVSA-N 1 0 388.331 2.403 20 0 GEADRO CC(=O)N[C@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)c1cccc(Br)c1 ZINC000866271435 653789705 /nfs/dbraw/zinc/78/97/05/653789705.db2.gz KZOOMJXSWAGRHS-LRDDRELGSA-N 1 0 382.302 2.084 20 0 GEADRO COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000821057419 653789795 /nfs/dbraw/zinc/78/97/95/653789795.db2.gz WLOCYUPGAXXOQX-ZDUSSCGKSA-N 1 0 376.831 2.403 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)CCN1c1cc[nH+]cc1 ZINC000882620680 653791068 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CCO[C@H](CC[NH+](C)C)CNC(=O)c1cnn(C(C)C)c1Br ZINC000866455362 653796518 /nfs/dbraw/zinc/79/65/18/653796518.db2.gz YJFQVZIODUVODQ-GFCCVEGCSA-N 1 0 375.311 2.313 20 0 GEADRO CC[N@H+](CCn1cnc(Br)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821380094 653796498 /nfs/dbraw/zinc/79/64/98/653796498.db2.gz NPSWFECVKVXCJN-CQSZACIVSA-N 1 0 378.274 2.168 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866450797 653796551 /nfs/dbraw/zinc/79/65/51/653796551.db2.gz ZTCOGJBYUCLONC-VBNZEHGJSA-N 1 0 392.518 2.344 20 0 GEADRO O=S(=O)(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1nc[nH]c1Br ZINC000866463295 653797057 /nfs/dbraw/zinc/79/70/57/653797057.db2.gz BXRGPNLYSPYSOY-ZDUSSCGKSA-N 1 0 399.314 2.288 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(C(=O)C[C@H](C)n2cc(Br)cn2)C[C@@H]1C ZINC000844022098 653799357 /nfs/dbraw/zinc/79/93/57/653799357.db2.gz IBQIRMRHRWFBQX-MELADBBJSA-N 1 0 387.322 2.164 20 0 GEADRO CCc1sc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1Br ZINC000844038067 653799698 /nfs/dbraw/zinc/79/96/98/653799698.db2.gz LPGAFRKEULDOND-SNVBAGLBSA-N 1 0 388.331 2.265 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@H]3CCc4cc(Br)ccc4C3)COCCN12 ZINC000866519217 653800253 /nfs/dbraw/zinc/80/02/53/653800253.db2.gz OHBGVQVXPSEBCQ-DOTOQJQBSA-N 1 0 381.270 2.117 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC(C)(C)C(C)(F)F)CC1 ZINC000866544329 653801501 /nfs/dbraw/zinc/80/15/01/653801501.db2.gz NTZCHZWPWQZAKT-UHFFFAOYSA-N 1 0 378.489 2.451 20 0 GEADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cc2nc(Cl)ncc2s1 ZINC000866546625 653801735 /nfs/dbraw/zinc/80/17/35/653801735.db2.gz OVRRYEXQEGLGKF-UHFFFAOYSA-N 1 0 386.930 2.497 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccnc1Br ZINC000790973917 653802078 /nfs/dbraw/zinc/80/20/78/653802078.db2.gz HZQUBBZQLVRPPC-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO O=c1[nH]cc(S(=O)(=O)Oc2ccc(OCC[NH+]3CCCCC3)cc2)s1 ZINC000866576842 653802982 /nfs/dbraw/zinc/80/29/82/653802982.db2.gz CTCYZNAZACNOQU-UHFFFAOYSA-N 1 0 384.479 2.481 20 0 GEADRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1c(I)cnn1C ZINC000866630754 653807154 /nfs/dbraw/zinc/80/71/54/653807154.db2.gz VWEULDNAZBHLAL-CYBMUJFWSA-N 1 0 385.249 2.372 20 0 GEADRO COc1cccc2c1OC[C@H]([NH2+]Cc1c(I)cnn1C)C2 ZINC000866631787 653807176 /nfs/dbraw/zinc/80/71/76/653807176.db2.gz QRZUJUOPHHCPMD-LLVKDONJSA-N 1 0 399.232 2.127 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1csc(Br)n1 ZINC000821815655 653807867 /nfs/dbraw/zinc/80/78/67/653807867.db2.gz FMEZRIJHJGHTHI-CYBMUJFWSA-N 1 0 396.310 2.402 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(I)n1 ZINC000895073324 653815732 /nfs/dbraw/zinc/81/57/32/653815732.db2.gz GYVQSQYTTCCXLU-YPMHNXCESA-N 1 0 375.254 2.416 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000821883300 653810796 /nfs/dbraw/zinc/81/07/96/653810796.db2.gz FPUDMKRXYGJQRY-UHFFFAOYSA-N 1 0 380.233 2.224 20 0 GEADRO COc1cc(OCC[NH+](C)C)ccc1NCc1nc(Br)nn1C ZINC000894991382 653811279 /nfs/dbraw/zinc/81/12/79/653811279.db2.gz BJBGSLXSTVHXJA-UHFFFAOYSA-N 1 0 384.278 2.139 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)[C@H](C)C1 ZINC000791370797 653811304 /nfs/dbraw/zinc/81/13/04/653811304.db2.gz QHGLHTLQUOHQNY-MWLCHTKSSA-N 1 0 393.962 2.160 20 0 GEADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(Br)[nH]n3)cc2)CC1 ZINC000821902102 653811539 /nfs/dbraw/zinc/81/15/39/653811539.db2.gz MBSSMSQPEQDJQG-UHFFFAOYSA-N 1 0 378.274 2.172 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000866689891 653812032 /nfs/dbraw/zinc/81/20/32/653812032.db2.gz PVUONJPGHLAUTH-OAHLLOKOSA-N 1 0 391.331 2.104 20 0 GEADRO CN(Cc1cn(C)nc1I)C(C)(C)C[NH+]1CCCC1 ZINC000895026147 653813459 /nfs/dbraw/zinc/81/34/59/653813459.db2.gz VJIGPPWILVEKPE-UHFFFAOYSA-N 1 0 376.286 2.331 20 0 GEADRO CC(C)[C@H](C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1)ONC(=O)OC(C)(C)C ZINC000895030180 653813579 /nfs/dbraw/zinc/81/35/79/653813579.db2.gz LLMMBGYNAKEJST-ZFWWWQNUSA-N 1 0 378.535 2.270 20 0 GEADRO Cc1c(Br)cccc1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711550 653813899 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O[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1ccccc1F ZINC000895750419 653848550 /nfs/dbraw/zinc/84/85/50/653848550.db2.gz YTSUVQYLCQPSQE-AWEZNQCLSA-N 1 0 379.233 2.324 20 0 GEADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000883642648 653849147 /nfs/dbraw/zinc/84/91/47/653849147.db2.gz RELOWCGKNJGIGY-GFCCVEGCSA-N 1 0 388.331 2.199 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cscc2Br)[C@H]1C[NH3+] ZINC000883639969 653849153 /nfs/dbraw/zinc/84/91/53/653849153.db2.gz CZYYTGHWUJHIGB-GWCFXTLKSA-N 1 0 388.331 2.055 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000895767682 653849291 /nfs/dbraw/zinc/84/92/91/653849291.db2.gz ALPIITGXNFWGJE-ABAIWWIYSA-N 1 0 385.277 2.404 20 0 GEADRO CC(C)[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000822991576 653849394 /nfs/dbraw/zinc/84/93/94/653849394.db2.gz QHADDZALRGSRBB-WFASDCNBSA-N 1 0 388.343 2.381 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000883653389 653849477 /nfs/dbraw/zinc/84/94/77/653849477.db2.gz USSSQQOCSBAMAI-UHFFFAOYSA-N 1 0 386.290 2.121 20 0 GEADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000866920691 653849844 /nfs/dbraw/zinc/84/98/44/653849844.db2.gz VIJKDKXOFWRVFV-CQSZACIVSA-N 1 0 387.373 2.333 20 0 GEADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1nc[nH]c1Br ZINC000866925449 653850572 /nfs/dbraw/zinc/85/05/72/653850572.db2.gz KSUXGXGVQJOPIP-UHFFFAOYSA-N 1 0 379.324 2.057 20 0 GEADRO Cc1cc(Br)c(CNC(=O)NCC[NH+]2CCC(O)CC2)s1 ZINC000895801525 653850618 /nfs/dbraw/zinc/85/06/18/653850618.db2.gz JYNMCTYCKOJSSG-UHFFFAOYSA-N 1 0 376.320 2.075 20 0 GEADRO COC[C@]1(c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)CC[NH2+]C1 ZINC000823036852 653850990 /nfs/dbraw/zinc/85/09/90/653850990.db2.gz KIGUIRIYLONMRE-INIZCTEOSA-N 1 0 385.251 2.435 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792745457 653851520 /nfs/dbraw/zinc/85/15/20/653851520.db2.gz IAWQSNJWSZUWOZ-CQSZACIVSA-N 1 0 376.469 2.085 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000866940083 653852584 /nfs/dbraw/zinc/85/25/84/653852584.db2.gz IXKXNVWXCDQSCE-LLVKDONJSA-N 1 0 375.878 2.116 20 0 GEADRO C[C@H](NS(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C(C)(C)C[NH+](C)C ZINC000866941666 653852629 /nfs/dbraw/zinc/85/26/29/653852629.db2.gz KDPHNBQRCFWRBC-DAOPMYJZSA-N 1 0 379.523 2.093 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c[nH]nc1I ZINC000895856353 653852745 /nfs/dbraw/zinc/85/27/45/653852745.db2.gz XRXSGLKDAIANJE-MXWKQRLJSA-N 1 0 390.269 2.111 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000895853155 653852858 /nfs/dbraw/zinc/85/28/58/653852858.db2.gz DLVBZPSETXUJPQ-ZJUUUORDSA-N 1 0 390.269 2.173 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883801177 653853768 /nfs/dbraw/zinc/85/37/68/653853768.db2.gz WZFICOPJLDAEMQ-LBPRGKRZSA-N 1 0 375.382 2.355 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000823116464 653854077 /nfs/dbraw/zinc/85/40/77/653854077.db2.gz VCBSJYZNYORPQB-HTQZYQBOSA-N 1 0 383.193 2.440 20 0 GEADRO C[C@@H]([NH3+])CCc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000823116520 653854163 /nfs/dbraw/zinc/85/41/63/653854163.db2.gz WCCZJMQRBYZVIB-MRVPVSSYSA-N 1 0 383.193 2.269 20 0 GEADRO CO[C@H](C[NH3+])Cc1nc(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000823129161 653854726 /nfs/dbraw/zinc/85/47/26/653854726.db2.gz OGDVOIUKXGAWQO-KOLCDFICSA-N 1 0 387.267 2.313 20 0 GEADRO O=C(NCc1ncc(Br)cn1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000895899600 653856088 /nfs/dbraw/zinc/85/60/88/653856088.db2.gz MEXNJURXVOQULQ-OAHLLOKOSA-N 1 0 390.285 2.313 20 0 GEADRO Cn1c2ccc(C[NH2+]CCS(=O)(=O)Cc3ccccc3)cc2sc1=O ZINC000792942767 653856182 /nfs/dbraw/zinc/85/61/82/653856182.db2.gz OSXBCSCUVKNCLE-UHFFFAOYSA-N 1 0 376.503 2.305 20 0 GEADRO [NH3+]CCCCn1cc(-c2nc(-c3nc(Br)ccc3F)no2)nn1 ZINC000823168526 653856539 /nfs/dbraw/zinc/85/65/39/653856539.db2.gz WKTWQNVTXPTHOV-UHFFFAOYSA-N 1 0 382.197 2.031 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)cc(Br)c1F ZINC000823193174 653857207 /nfs/dbraw/zinc/85/72/07/653857207.db2.gz CZIWBPUVKSJIJF-LLVKDONJSA-N 1 0 377.229 2.304 20 0 GEADRO O=C(NCCc1sccc1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000883952494 653858409 /nfs/dbraw/zinc/85/84/09/653858409.db2.gz LKKYGJDOGKGJIR-LBPRGKRZSA-N 1 0 390.347 2.199 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)nc1Br ZINC000792981129 653858782 /nfs/dbraw/zinc/85/87/82/653858782.db2.gz SOGCULNBUHTCKU-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000895960494 653858804 /nfs/dbraw/zinc/85/88/04/653858804.db2.gz DMMYMZHDAWGJHB-NWDGAFQWSA-N 1 0 389.315 2.109 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000895971732 653859231 /nfs/dbraw/zinc/85/92/31/653859231.db2.gz MUDPQEMSUAGVHA-MLGOLLRUSA-N 1 0 395.297 2.379 20 0 GEADRO O=C(C[NH+]1CCCC1)NCc1c(Br)cncc1Br ZINC000823267885 653860001 /nfs/dbraw/zinc/86/00/01/653860001.db2.gz MAMBHYNEXUGVFL-UHFFFAOYSA-N 1 0 377.080 2.319 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)CCSC1 ZINC000845716286 653860971 /nfs/dbraw/zinc/86/09/71/653860971.db2.gz RLIKUGTYXZKCDU-OAHLLOKOSA-N 1 0 381.489 2.090 20 0 GEADRO CN(C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C1CCC([NH3+])CC1 ZINC000884040739 653861347 /nfs/dbraw/zinc/86/13/47/653861347.db2.gz CAQXCCNMNTWUOM-SSDMNJCBSA-N 1 0 381.270 2.259 20 0 GEADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000896047278 653862145 /nfs/dbraw/zinc/86/21/45/653862145.db2.gz YSQIJUUVGMHUBS-HNNXBMFYSA-N 1 0 396.260 2.454 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@@H](CO)Cc1ccccc1)c1ccc(Br)cc1 ZINC000884080114 653862351 /nfs/dbraw/zinc/86/23/51/653862351.db2.gz LKTTWILBTTWZTP-WMLDXEAASA-N 1 0 377.282 2.416 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)N[C@@H]3[C@H]4Cc5c(cccc5Br)[C@@H]34)C[C@H]2C1 ZINC000896077269 653863385 /nfs/dbraw/zinc/86/33/85/653863385.db2.gz HIWYHTSVNPWQLG-WSBUHRGFSA-N 1 0 376.298 2.290 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000884099913 653863483 /nfs/dbraw/zinc/86/34/83/653863483.db2.gz CNIOIDZNRYAWOF-GJZGRUSLSA-N 1 0 386.926 2.369 20 0 GEADRO C[NH+](C)CCN(C(=O)C(=O)Nc1cccc(Br)n1)C1CCCC1 ZINC000793036417 653863522 /nfs/dbraw/zinc/86/35/22/653863522.db2.gz LGLFXIUHGYHRCG-UHFFFAOYSA-N 1 0 383.290 2.115 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000793047915 653864042 /nfs/dbraw/zinc/86/40/42/653864042.db2.gz ATNDOJCZAHUDCB-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO [NH3+][C@H](C(=O)NCCC(=O)N1CCCCCC1)c1ccc(Br)cc1 ZINC000884114040 653864196 /nfs/dbraw/zinc/86/41/96/653864196.db2.gz GSQXYKJSZAHVTC-INIZCTEOSA-N 1 0 382.302 2.358 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)nc1Br ZINC000793061823 653864680 /nfs/dbraw/zinc/86/46/80/653864680.db2.gz LOZAMDMKBUQXJH-CYBMUJFWSA-N 1 0 395.301 2.224 20 0 GEADRO O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000845843861 653865557 /nfs/dbraw/zinc/86/55/57/653865557.db2.gz ZYLZDHZQRBRYMZ-GHMZBOCLSA-N 1 0 385.338 2.338 20 0 GEADRO CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000884145433 653865671 /nfs/dbraw/zinc/86/56/71/653865671.db2.gz KCHLSHFSKPZYDX-RISCZKNCSA-N 1 0 380.432 2.377 20 0 GEADRO COCCOCC[N@H+](C)CCC(=O)Nc1cc(O)cc(Br)c1 ZINC000823381022 653866475 /nfs/dbraw/zinc/86/64/75/653866475.db2.gz ILTDPJLMLCEXTP-UHFFFAOYSA-N 1 0 375.263 2.078 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc(Br)cn3ccnc23)C[C@H]1[NH+](C)C ZINC000867019832 653866938 /nfs/dbraw/zinc/86/69/38/653866938.db2.gz WLEYWQXAXPLQPG-OLZOCXBDSA-N 1 0 383.315 2.214 20 0 GEADRO [NH3+][C@H](CC1CC1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000884193695 653867382 /nfs/dbraw/zinc/86/73/82/653867382.db2.gz MYLPBPNNVCFXEE-CQSZACIVSA-N 1 0 395.301 2.149 20 0 GEADRO [NH3+][C@@H](C(=O)NCCc1cn2c(n1)CCCC2)c1ccc(Br)cc1 ZINC000884192680 653867565 /nfs/dbraw/zinc/86/75/65/653867565.db2.gz LIQAVLFKIZXZCN-MRXNPFEDSA-N 1 0 377.286 2.341 20 0 GEADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000793157873 653868834 /nfs/dbraw/zinc/86/88/34/653868834.db2.gz KDQCLOIDNSETTJ-VIFPVBQESA-N 1 0 380.164 2.188 20 0 GEADRO O=C(CCCc1ccc(Br)cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000884285329 653870569 /nfs/dbraw/zinc/87/05/69/653870569.db2.gz GITWIRJBHAFTPY-QGZVFWFLSA-N 1 0 380.330 2.278 20 0 GEADRO CC[C@H](Sc1nc(CC(=O)Nc2ccc(C[NH2+]C)cc2)cs1)C(N)=O ZINC000884298375 653871015 /nfs/dbraw/zinc/87/10/15/653871015.db2.gz PQDJZOMZDKEAMQ-AWEZNQCLSA-N 1 0 378.523 2.400 20 0 GEADRO CC(C)[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000884325592 653872282 /nfs/dbraw/zinc/87/22/82/653872282.db2.gz VJNFPBMUXMXBKS-KBPBESRZSA-N 1 0 380.432 2.281 20 0 GEADRO COc1cccc([C@H](CNC(=O)c2cc(Br)n(C)n2)[NH+](C)C)c1 ZINC000823596349 653873654 /nfs/dbraw/zinc/87/36/54/653873654.db2.gz LROMDWJZIRBQRX-AWEZNQCLSA-N 1 0 381.274 2.224 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884371561 653874467 /nfs/dbraw/zinc/87/44/67/653874467.db2.gz QXZBNAROWZEJMK-DZGCQCFKSA-N 1 0 393.281 2.322 20 0 GEADRO C[C@@H](NS(=O)(=O)c1nc[nH]c1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000867077406 653875917 /nfs/dbraw/zinc/87/59/17/653875917.db2.gz QJRUIRJHFRCFIF-GHMZBOCLSA-N 1 0 391.335 2.104 20 0 GEADRO C[NH2+]CCOc1cccc(C(=O)NCc2cc(Br)cnc2OC)c1 ZINC000884433187 653876436 /nfs/dbraw/zinc/87/64/36/653876436.db2.gz CCBJTNRTLPNXKF-UHFFFAOYSA-N 1 0 394.269 2.381 20 0 GEADRO Brc1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(N2CCOCC2)c1 ZINC000896387789 653876978 /nfs/dbraw/zinc/87/69/78/653876978.db2.gz VTYUWTBBWAILBS-HNNXBMFYSA-N 1 0 397.313 2.481 20 0 GEADRO CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884467765 653877841 /nfs/dbraw/zinc/87/78/41/653877841.db2.gz DYHNWDBBERJLHI-AWEZNQCLSA-N 1 0 381.270 2.131 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1 ZINC000884468953 653877857 /nfs/dbraw/zinc/87/78/57/653877857.db2.gz QYAKEZXKBGIMGX-HUUCEWRRSA-N 1 0 383.286 2.151 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823742033 653878458 /nfs/dbraw/zinc/87/84/58/653878458.db2.gz GCNFYDLKTVRYEJ-LSDHHAIUSA-N 1 0 377.551 2.084 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(O)c3ccc(F)c(Br)c3)C[C@@H]2C1 ZINC000823790874 653879792 /nfs/dbraw/zinc/87/97/92/653879792.db2.gz PYGHMSUWWBIVLZ-PEBVRCNWSA-N 1 0 385.277 2.206 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)cnc1Br ZINC000846015230 653880552 /nfs/dbraw/zinc/88/05/52/653880552.db2.gz KVEDYQJDVVFMHD-UHFFFAOYSA-N 1 0 385.306 2.185 20 0 GEADRO O=c1[nH]c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc2ccc(Br)cc12 ZINC000884559718 653881205 /nfs/dbraw/zinc/88/12/05/653881205.db2.gz BYLRWZHEDRUZOW-ZDUSSCGKSA-N 1 0 393.285 2.133 20 0 GEADRO Cc1cc([C@@H](C)NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)c(C)s1 ZINC000884578664 653881600 /nfs/dbraw/zinc/88/16/00/653881600.db2.gz GOZFRQCPSWHLMM-SNVBAGLBSA-N 1 0 378.523 2.042 20 0 GEADRO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@@H]1C[N@H+](C)CCN1C ZINC000896526030 653882154 /nfs/dbraw/zinc/88/21/54/653882154.db2.gz FHDRUTXLOBFYEV-XYQSWSQNSA-N 1 0 392.341 2.085 20 0 GEADRO Cc1csc([C@H](C)NC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)n1 ZINC000884618612 653882533 /nfs/dbraw/zinc/88/25/33/653882533.db2.gz IZRVBLFNPDPVIV-LBPRGKRZSA-N 1 0 380.901 2.270 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1Br)[NH+]1CCCCC1 ZINC000793699124 653882783 /nfs/dbraw/zinc/88/27/83/653882783.db2.gz MDDBZXZLXBJODO-AWEZNQCLSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000793713414 653883425 /nfs/dbraw/zinc/88/34/25/653883425.db2.gz KXAYUSFSOPGWSQ-CQSZACIVSA-N 1 0 396.329 2.398 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793723444 653883876 /nfs/dbraw/zinc/88/38/76/653883876.db2.gz WUBMGQPGDBFOGT-AWEZNQCLSA-N 1 0 396.329 2.364 20 0 GEADRO Cc1ccc(CCC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000896546959 653884709 /nfs/dbraw/zinc/88/47/09/653884709.db2.gz AUQYBGFNFVWRIR-YOEHRIQHSA-N 1 0 382.346 2.441 20 0 GEADRO C[C@@H](NC(=O)C(C)(C)c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896558819 653885438 /nfs/dbraw/zinc/88/54/38/653885438.db2.gz ZGDOMECVGSEVRT-CZUORRHYSA-N 1 0 382.346 2.477 20 0 GEADRO C[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)[C@@H]1C[N@H+](C)CCN1C ZINC000896556840 653885449 /nfs/dbraw/zinc/88/54/49/653885449.db2.gz QITFOXVILZVECE-PXAZEXFGSA-N 1 0 393.329 2.223 20 0 GEADRO CCON(C)C(=O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000846065888 653885786 /nfs/dbraw/zinc/88/57/86/653885786.db2.gz VHNHNHLAIOXENC-UHFFFAOYSA-N 1 0 384.318 2.413 20 0 GEADRO C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)[C@H]1C[N@H+](C)CCN1C ZINC000896572524 653886055 /nfs/dbraw/zinc/88/60/55/653886055.db2.gz QDBCBVUDOITMNH-BDJLRTHQSA-N 1 0 379.302 2.295 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000884768462 653888621 /nfs/dbraw/zinc/88/86/21/653888621.db2.gz NESGFUJGJQGGTI-CYBMUJFWSA-N 1 0 385.555 2.321 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc4c(cc3Br)OCCO4)C[C@@H]2C1 ZINC000793930875 653889122 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376.320 2.080 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000824514767 653899440 /nfs/dbraw/zinc/89/94/40/653899440.db2.gz JDMLLGAVRNPVHR-UHFFFAOYSA-N 1 0 386.909 2.239 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000896958474 653900317 /nfs/dbraw/zinc/90/03/17/653900317.db2.gz AYXHYNGLMGMQCW-NSHDSACASA-N 1 0 390.269 2.030 20 0 GEADRO CC[C@H](C)[C@H](C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)OC ZINC000824596070 653902462 /nfs/dbraw/zinc/90/24/62/653902462.db2.gz FVBMCSJCMJDBLM-LNSITVRQSA-N 1 0 377.938 2.355 20 0 GEADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC(CO)(C(F)(F)F)CC1 ZINC000885006413 653905369 /nfs/dbraw/zinc/90/53/69/653905369.db2.gz UYRQISWATKXHPG-AWEZNQCLSA-N 1 0 380.476 2.367 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CCC(CC[NH3+])CC2)ccc1Br ZINC000846694837 653906563 /nfs/dbraw/zinc/90/65/63/653906563.db2.gz CVLCBFCCSLWUJZ-UHFFFAOYSA-N 1 0 389.315 2.054 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000846691860 653906636 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Cc1cnc(Cl)c(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000885063663 653909961 /nfs/dbraw/zinc/90/99/61/653909961.db2.gz KZMSDRFMZAMAEW-HUUCEWRRSA-N 1 0 387.933 2.090 20 0 GEADRO CCN(C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)[C@H]1CC[N@H+](C)C1 ZINC000824842565 653910088 /nfs/dbraw/zinc/91/00/88/653910088.db2.gz WCGKGDRLRLEUBG-AAEUAGOBSA-N 1 0 380.286 2.428 20 0 GEADRO O=c1[nH]c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)nc2ccc(Br)cc12 ZINC000897216100 653910681 /nfs/dbraw/zinc/91/06/81/653910681.db2.gz IVGLZJWKXSUOHJ-LSDHHAIUSA-N 1 0 393.285 2.133 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N1CC([NH+]2CCCC2)C1 ZINC000824865183 653910659 /nfs/dbraw/zinc/91/06/59/653910659.db2.gz CXUPOJQLSIBKBT-CYBMUJFWSA-N 1 0 378.270 2.182 20 0 GEADRO CC(C)[N@H+](C[C@@H](O)COc1ccc(CC(N)=O)cc1)CC1(Br)CC1 ZINC000846835937 653911165 /nfs/dbraw/zinc/91/11/65/653911165.db2.gz MSGIWWZWOVMAQN-OAHLLOKOSA-N 1 0 399.329 2.092 20 0 GEADRO Cc1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1Br ZINC000824896979 653911260 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O=S(=O)(N[C@@H]1CCCN(CCCO)C1)c1ccc2ccnc(Cl)c2c1 ZINC000867328456 653916611 /nfs/dbraw/zinc/91/66/11/653916611.db2.gz XPJTUIIWBOLCFK-CQSZACIVSA-N 1 0 383.901 2.013 20 0 GEADRO CCn1nc(C)c(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)n1 ZINC000825073775 653916720 /nfs/dbraw/zinc/91/67/20/653916720.db2.gz YVFBVPUKBKCOOA-GFCCVEGCSA-N 1 0 385.281 2.449 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000825188792 653920098 /nfs/dbraw/zinc/92/00/98/653920098.db2.gz PEVGWCDHEGDGQY-QWHCGFSZSA-N 1 0 387.933 2.226 20 0 GEADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(Br)cn1 ZINC000794809879 653921104 /nfs/dbraw/zinc/92/11/04/653921104.db2.gz RRPYZFXOCFGNOY-LBPRGKRZSA-N 1 0 390.347 2.004 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000794815915 653921285 /nfs/dbraw/zinc/92/12/85/653921285.db2.gz MDNZDESUEKVKSB-OAHLLOKOSA-N 1 0 376.316 2.477 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000825249476 653922697 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GEADRO Cc1cccc(CN2CC[C@H](NS(=O)(=O)c3nc[nH]c3Br)C2)c1 ZINC000867650603 653968260 /nfs/dbraw/zinc/96/82/60/653968260.db2.gz HXFBZFDPECALDS-ZDUSSCGKSA-N 1 0 399.314 2.033 20 0 GEADRO COc1cc(C[NH2+]CCOC2CCSCC2)cc(Cl)c1OCC(N)=O ZINC000898442858 653971163 /nfs/dbraw/zinc/97/11/63/653971163.db2.gz TXTCNXUTNKHCND-UHFFFAOYSA-N 1 0 388.917 2.215 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(F)cc1Cl ZINC000795854663 653971314 /nfs/dbraw/zinc/97/13/14/653971314.db2.gz DWMBPEHURLNDGL-IINYFYTJSA-N 1 0 392.880 2.226 20 0 GEADRO CCN1CCC([NH+]2CCC(C(=O)Nc3c[nH]nc3Br)CC2)CC1 ZINC000898476486 653972118 /nfs/dbraw/zinc/97/21/18/653972118.db2.gz JHOWBRJIJPVTHU-UHFFFAOYSA-N 1 0 384.322 2.307 20 0 GEADRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cccc(F)c1I ZINC000886220990 653972970 /nfs/dbraw/zinc/97/29/70/653972970.db2.gz QSLVCYMPGWCFSG-RYUDHWBXSA-N 1 0 379.213 2.450 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCc2cc(F)c(Br)cc2C1 ZINC000886286286 653976344 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Cn1ncc(Br)c1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898719412 653981624 /nfs/dbraw/zinc/98/16/24/653981624.db2.gz FJIGKQIHTZIECW-MRVPVSSYSA-N 1 0 389.095 2.246 20 0 GEADRO Fc1ccc(-n2cc(C[NH2+][C@@H]3CCc4ncc(Br)n4C3)nn2)cc1 ZINC000898720924 653982021 /nfs/dbraw/zinc/98/20/21/653982021.db2.gz OKFYIYJUWZQXSX-GFCCVEGCSA-N 1 0 391.248 2.470 20 0 GEADRO Brc1cnc2n1C[C@H]([NH2+]C1CCN(C[C@@H]3CCCO3)CC1)CC2 ZINC000898720305 653982032 /nfs/dbraw/zinc/98/20/32/653982032.db2.gz LWMHRWDZHGEKBU-CABCVRRESA-N 1 0 383.334 2.193 20 0 GEADRO Brc1c[nH]c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)n1 ZINC000898720966 653982045 /nfs/dbraw/zinc/98/20/45/653982045.db2.gz PEWWFNKDVFOAMC-ZETCQYMHSA-N 1 0 375.068 2.236 20 0 GEADRO Brc1cnc2n1C[C@H]([NH2+]Cc1ncc(C3OCCO3)s1)CC2 ZINC000898720233 653982065 /nfs/dbraw/zinc/98/20/65/653982065.db2.gz KNOZQQVILBWXJA-SECBINFHSA-N 1 0 385.287 2.252 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)CC[C@H]21 ZINC000827230721 653982066 /nfs/dbraw/zinc/98/20/66/653982066.db2.gz CUEVISJLKVXLKG-TZMCWYRMSA-N 1 0 376.400 2.146 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc2c1OCO2 ZINC000898727323 653983034 /nfs/dbraw/zinc/98/30/34/653983034.db2.gz UXRYDNKBDHWWEP-NSHDSACASA-N 1 0 380.242 2.488 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(Br)cc3-n3cncn3)CC[C@@H]21 ZINC000827285929 653984970 /nfs/dbraw/zinc/98/49/70/653984970.db2.gz BQTQWFQQWFXXOC-WFASDCNBSA-N 1 0 390.285 2.196 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000827330194 653986153 /nfs/dbraw/zinc/98/61/53/653986153.db2.gz KOSZWZTYEGONRR-RISCZKNCSA-N 1 0 381.270 2.387 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC[NH+]2CCCCC2)s1 ZINC000886480408 653989464 /nfs/dbraw/zinc/98/94/64/653989464.db2.gz YOMRXCAAYZPOCL-OAHLLOKOSA-N 1 0 386.539 2.239 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)Cc3cc(F)ccc3Br)CC[C@@H]21 ZINC000867806572 653989611 /nfs/dbraw/zinc/98/96/11/653989611.db2.gz ALPGYSIOEOPDAH-NHYWBVRUSA-N 1 0 391.306 2.444 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3F)CC[C@@H]21 ZINC000867811643 653991392 /nfs/dbraw/zinc/99/13/92/653991392.db2.gz FDGKRSODRAAOOB-GWCFXTLKSA-N 1 0 377.279 2.303 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)CC[C@H]21 ZINC000867812647 653991783 /nfs/dbraw/zinc/99/17/83/653991783.db2.gz LATXRGMXUQKMLP-GXFFZTMASA-N 1 0 377.279 2.303 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c(Cl)cc1F ZINC000867817725 653992980 /nfs/dbraw/zinc/99/29/80/653992980.db2.gz PMCSJOOYTBIYLM-UHFFFAOYSA-N 1 0 389.924 2.188 20 0 GEADRO O=C(CCC[NH+]1CCC(C(=O)NCCO)CC1)c1ccc(Br)cc1 ZINC000827487094 653994557 /nfs/dbraw/zinc/99/45/57/653994557.db2.gz QNHGAEBQMMDGAE-UHFFFAOYSA-N 1 0 397.313 2.233 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)Cc2sc(SCC(C)C)nc2C)CC1 ZINC000827500398 653995356 /nfs/dbraw/zinc/99/53/56/653995356.db2.gz AGFCCQYCMYTIRK-UHFFFAOYSA-N 1 0 384.615 2.496 20 0 GEADRO CCC[C@H]1CN(C(=O)c2c(Br)nc3n2CCC3)CCN1CCOC ZINC000827589049 653998759 /nfs/dbraw/zinc/99/87/59/653998759.db2.gz 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CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 ZINC000828018777 654016105 /nfs/dbraw/zinc/01/61/05/654016105.db2.gz MIGMXMHSOHGNNW-UHFFFAOYSA-N 1 0 389.905 2.061 20 0 GEADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ncccc2Br)CC1 ZINC000849370741 654016700 /nfs/dbraw/zinc/01/67/00/654016700.db2.gz DCXVGPFSVQKCNS-UHFFFAOYSA-N 1 0 376.320 2.385 20 0 GEADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000797097030 654018230 /nfs/dbraw/zinc/01/82/30/654018230.db2.gz SVTHLACHXFABMJ-ILXRZTDVSA-N 1 0 377.551 2.082 20 0 GEADRO COc1cc(I)ccc1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000868161094 654021409 /nfs/dbraw/zinc/02/14/09/654021409.db2.gz OIQQABWRPGBSNY-CZMCAQCFSA-N 1 0 375.210 2.159 20 0 GEADRO C[NH+]1CCC(n2cc(NC(=O)C3(n4cc(Br)cn4)CC3)cn2)CC1 ZINC000828098847 654022057 /nfs/dbraw/zinc/02/20/57/654022057.db2.gz LZXNAPHNVCQTLP-UHFFFAOYSA-N 1 0 393.289 2.237 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(Br)c(Br)c1 ZINC000868203005 654023301 /nfs/dbraw/zinc/02/33/01/654023301.db2.gz 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C[NH+]1CCC(OCC(=O)Nc2ccc3cc(Br)cnc3n2)CC1 ZINC000900671807 654075651 /nfs/dbraw/zinc/07/56/51/654075651.db2.gz MVHSBPNOJFHDLD-UHFFFAOYSA-N 1 0 379.258 2.442 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c(Cl)cn1 ZINC000829678688 654076362 /nfs/dbraw/zinc/07/63/62/654076362.db2.gz RCIQCPYDCCMNEK-UHFFFAOYSA-N 1 0 385.917 2.275 20 0 GEADRO O=C(c1ccc(Cl)cc1NCC(F)(F)F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000869194392 654076324 /nfs/dbraw/zinc/07/63/24/654076324.db2.gz DKEXRBAAZSYJNL-NWDGAFQWSA-N 1 0 377.794 2.205 20 0 GEADRO Cn1cc([C@@H](O)C[NH2+][C@H]2CCc3ccc(I)cc32)cn1 ZINC000850438820 654076974 /nfs/dbraw/zinc/07/69/74/654076974.db2.gz WWTKYGCLDXABNQ-GJZGRUSLSA-N 1 0 383.233 2.335 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCOCCS(C)(=O)=O ZINC000850444246 654077297 /nfs/dbraw/zinc/07/72/97/654077297.db2.gz IAOFWAVXWOHOJL-OAHLLOKOSA-N 1 0 378.332 2.421 20 0 GEADRO CC(C)(C)n1ncc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000829729568 654078267 /nfs/dbraw/zinc/07/82/67/654078267.db2.gz IMUQSLSOQOVCME-CYBMUJFWSA-N 1 0 399.333 2.195 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)cc1 ZINC000850491077 654078971 /nfs/dbraw/zinc/07/89/71/654078971.db2.gz KWTJAUGMPKQFBK-BGJPBQGDSA-N 1 0 386.461 2.410 20 0 GEADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000850490464 654079131 /nfs/dbraw/zinc/07/91/31/654079131.db2.gz BSMKWJSHYCESRJ-JCIOZEIESA-N 1 0 378.460 2.177 20 0 GEADRO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850496839 654079480 /nfs/dbraw/zinc/07/94/80/654079480.db2.gz QMYVYMGKHZOHDY-CPJLOUKISA-N 1 0 378.460 2.269 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)n1 ZINC000850505397 654080144 /nfs/dbraw/zinc/08/01/44/654080144.db2.gz QWFPCLHTCCOJEN-GFCCVEGCSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000850505342 654080175 /nfs/dbraw/zinc/08/01/75/654080175.db2.gz BGGAVDLSNXHSFE-NSHDSACASA-N 1 0 383.290 2.080 20 0 GEADRO COC1CC[NH+](CCNC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000829796337 654080557 /nfs/dbraw/zinc/08/05/57/654080557.db2.gz YTMFZKBRCNBMSC-GFCCVEGCSA-N 1 0 398.139 2.110 20 0 GEADRO Cc1ccc(OCCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000900802048 654081122 /nfs/dbraw/zinc/08/11/22/654081122.db2.gz HJHSTDIVYYZRJK-GOEBONIOSA-N 1 0 398.345 2.277 20 0 GEADRO Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)s1 ZINC000900800159 654081146 /nfs/dbraw/zinc/08/11/46/654081146.db2.gz BMELSXAEGRCYNL-JSGCOSHPSA-N 1 0 378.567 2.473 20 0 GEADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850518744 654081337 /nfs/dbraw/zinc/08/13/37/654081337.db2.gz HQLQHJVDKIQYSB-RYUDHWBXSA-N 1 0 388.452 2.199 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900803943 654081760 /nfs/dbraw/zinc/08/17/60/654081760.db2.gz JZQJUPNASCFNON-GXTWGEPZSA-N 1 0 384.318 2.130 20 0 GEADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900812172 654082427 /nfs/dbraw/zinc/08/24/27/654082427.db2.gz SKHNXSLXJUPGJD-MWLCHTKSSA-N 1 0 396.504 2.356 20 0 GEADRO C[NH+](C)CC1(NC(=O)c2cccn3c(I)cnc23)CCC1 ZINC000799037986 654082779 /nfs/dbraw/zinc/08/27/79/654082779.db2.gz BGOAMAWFYFJXOT-UHFFFAOYSA-N 1 0 398.248 2.153 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(SC(F)(F)F)nc1)[C@@H]1CC[N@H+](C)C1 ZINC000850582076 654083514 /nfs/dbraw/zinc/08/35/14/654083514.db2.gz CELLTVZDRBXSHE-LLVKDONJSA-N 1 0 376.404 2.185 20 0 GEADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000850588226 654083896 /nfs/dbraw/zinc/08/38/96/654083896.db2.gz XUVJBBBDZHBTFZ-UHFFFAOYSA-N 1 0 378.416 2.491 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cccc3scnc32)CC1 ZINC000850588533 654084125 /nfs/dbraw/zinc/08/41/25/654084125.db2.gz JZDNZQTVZQBFPU-CXAGYDPISA-N 1 0 381.523 2.203 20 0 GEADRO C[C@@H](CNC(=O)c1ccnn1CC[NH+](C)C)Oc1cccc(Br)c1 ZINC000900875476 654085316 /nfs/dbraw/zinc/08/53/16/654085316.db2.gz JBZKLSJVZQTUSW-ZDUSSCGKSA-N 1 0 395.301 2.405 20 0 GEADRO O=C(c1nc(Br)sc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000869299046 654085463 /nfs/dbraw/zinc/08/54/63/654085463.db2.gz JJTUCWRHGRJEFG-VIFPVBQESA-N 1 0 394.722 2.230 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000900887209 654086084 /nfs/dbraw/zinc/08/60/84/654086084.db2.gz SKZYVOISSHUMLG-LBPRGKRZSA-N 1 0 387.311 2.309 20 0 GEADRO O=c1ccn(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c2c(Br)cccc12 ZINC000799143236 654086107 /nfs/dbraw/zinc/08/61/07/654086107.db2.gz KPFJZASLZKTFEQ-RISCZKNCSA-N 1 0 392.253 2.152 20 0 GEADRO O=C1N[C@H]2CC[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C[C@@H]2CO1 ZINC000799180055 654087126 /nfs/dbraw/zinc/08/71/26/654087126.db2.gz KDPVZNDYKBYBHF-ZETOZRRWSA-N 1 0 375.252 2.163 20 0 GEADRO O=C1N[C@H]2CC[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@@H]2CO1 ZINC000799180113 654087209 /nfs/dbraw/zinc/08/72/09/654087209.db2.gz NVGCIEFPKNSEME-GYSYKLTISA-N 1 0 375.252 2.163 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850653700 654090757 /nfs/dbraw/zinc/09/07/57/654090757.db2.gz BVJPDBLANTYIAZ-LBPRGKRZSA-N 1 0 395.301 2.306 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cnc1Br ZINC000850666302 654091990 /nfs/dbraw/zinc/09/19/90/654091990.db2.gz HNYSMZAHLUHBHQ-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cccnc1Br ZINC000850666313 654092131 /nfs/dbraw/zinc/09/21/31/654092131.db2.gz HQLCXYUTSLZNPQ-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)ccc1Cl ZINC000850722662 654101599 /nfs/dbraw/zinc/10/15/99/654101599.db2.gz WHWUEWWEUXMHNI-DOMZBBRYSA-N 1 0 387.933 2.180 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)Nc2cccc(C3SCCS3)c2)n1 ZINC000850724675 654101613 /nfs/dbraw/zinc/10/16/13/654101613.db2.gz MALQEMQOLXVEBS-UHFFFAOYSA-N 1 0 377.495 2.441 20 0 GEADRO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)Nc1cccc(Br)n1 ZINC000850730817 654102331 /nfs/dbraw/zinc/10/23/31/654102331.db2.gz XSFNEDIXGSIZAM-UHFFFAOYSA-N 1 0 395.301 2.021 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2nc3ccc(Cl)nc3s2)CC1 ZINC000888781695 654103651 /nfs/dbraw/zinc/10/36/51/654103651.db2.gz KLBFSRMUIBCZFH-UHFFFAOYSA-N 1 0 382.921 2.492 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)C[C@@H]2C1 ZINC000916664448 654103796 /nfs/dbraw/zinc/10/37/96/654103796.db2.gz YDCBPULGVUMIEK-MNOVXSKESA-N 1 0 377.279 2.160 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c(C)c1Cl ZINC000916664074 654104097 /nfs/dbraw/zinc/10/40/97/654104097.db2.gz OSCIQYJDJPKTLP-WDEREUQCSA-N 1 0 392.930 2.069 20 0 GEADRO [NH3+]Cc1cc(NC(=O)C(=O)NCCC2SCCS2)cc(C(F)(F)F)c1 ZINC000850858031 654110323 /nfs/dbraw/zinc/11/03/23/654110323.db2.gz PMFNTVPFDYEZSI-UHFFFAOYSA-N 1 0 393.456 2.415 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000901135168 654110999 /nfs/dbraw/zinc/11/09/99/654110999.db2.gz LGFQGBKEVZOCPT-FZMZJTMJSA-N 1 0 385.295 2.061 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1cc(Cl)ccc1Br ZINC000901150533 654111760 /nfs/dbraw/zinc/11/17/60/654111760.db2.gz QCWHVAAQNUMBCM-DOMZBBRYSA-N 1 0 375.694 2.216 20 0 GEADRO O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000830357935 654112658 /nfs/dbraw/zinc/11/26/58/654112658.db2.gz ZAPOALWCVQEHOF-SNVBAGLBSA-N 1 0 394.722 2.356 20 0 GEADRO CN(C(=O)c1cn(C)nc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000888910465 654113015 /nfs/dbraw/zinc/11/30/15/654113015.db2.gz CQAXXLUZIDHRHB-UHFFFAOYSA-N 1 0 381.274 2.400 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000799815506 654114822 /nfs/dbraw/zinc/11/48/22/654114822.db2.gz WRRNMJOKLCFZRW-UHFFFAOYSA-N 1 0 377.551 2.036 20 0 GEADRO [NH3+]CCCCCCCS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000830399643 654114872 /nfs/dbraw/zinc/11/48/72/654114872.db2.gz MPPLRONOXPQGGW-UHFFFAOYSA-N 1 0 388.555 2.154 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(C)cnc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000901213524 654115398 /nfs/dbraw/zinc/11/53/98/654115398.db2.gz VFZRWAZGLMNYLY-CQSZACIVSA-N 1 0 387.933 2.015 20 0 GEADRO COc1cc(Br)cc(CNC(=O)c2cnn(CC[NH+](C)C)c2)c1 ZINC000830418161 654115860 /nfs/dbraw/zinc/11/58/60/654115860.db2.gz GPSJDVJSFZOTEK-UHFFFAOYSA-N 1 0 381.274 2.146 20 0 GEADRO COc1ccc(CCC(=O)N2CCN(C)CC[N@H+](C)CC2)c(Br)c1 ZINC000888979047 654117369 /nfs/dbraw/zinc/11/73/69/654117369.db2.gz DJBZONLIUNJDKX-UHFFFAOYSA-N 1 0 398.345 2.096 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2Br)[C@H](C)C1 ZINC000889009564 654120274 /nfs/dbraw/zinc/12/02/74/654120274.db2.gz LIJKGWUISBLLBJ-OCCSQVGLSA-N 1 0 387.322 2.049 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)c1c[nH]nc1Cl ZINC000830475003 654120352 /nfs/dbraw/zinc/12/03/52/654120352.db2.gz SHUFFWSVHBJVOX-UHFFFAOYSA-N 1 0 378.951 2.093 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2Br)[C@@H](C)C1 ZINC000889009562 654120457 /nfs/dbraw/zinc/12/04/57/654120457.db2.gz LIJKGWUISBLLBJ-GXTWGEPZSA-N 1 0 387.322 2.049 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1scnc1Br ZINC000869762251 654120572 /nfs/dbraw/zinc/12/05/72/654120572.db2.gz 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O=C(Cc1cc(Br)ccc1F)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761063 654169334 /nfs/dbraw/zinc/16/93/34/654169334.db2.gz CYUKGVPSNUOETO-CVEARBPZSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889761457 654169422 /nfs/dbraw/zinc/16/94/22/654169422.db2.gz GFNFCRHWGHPLHX-JKSUJKDBSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889761066 654169535 /nfs/dbraw/zinc/16/95/35/654169535.db2.gz CYUKGVPSNUOETO-JKSUJKDBSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889761456 654169545 /nfs/dbraw/zinc/16/95/45/654169545.db2.gz GFNFCRHWGHPLHX-HZPDHXFCSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1cc2ccccc2s1 ZINC000919080346 654170272 /nfs/dbraw/zinc/17/02/72/654170272.db2.gz ADHNBRYKSXJMBI-SFHVURJKSA-N 1 0 378.519 2.489 20 0 GEADRO O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889765421 654170690 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[NH3+]CCCCCCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000831267103 654175683 /nfs/dbraw/zinc/17/56/83/654175683.db2.gz HXPFFGKPXWOAEE-OAHLLOKOSA-N 1 0 397.317 2.151 20 0 GEADRO CC[NH+]1CCC(NC(=O)Cn2c(=O)oc3ccc(Br)c(C)c32)CC1 ZINC000902395540 654176623 /nfs/dbraw/zinc/17/66/23/654176623.db2.gz CXWDVYABCXVXEA-UHFFFAOYSA-N 1 0 396.285 2.266 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000801091400 654177259 /nfs/dbraw/zinc/17/72/59/654177259.db2.gz UJPKYXFHFGIWBH-UHFFFAOYSA-N 1 0 395.301 2.361 20 0 GEADRO O=C1N[C@H](C2CCN(CN3Cc4ccc(Br)cc4C3=O)CC2)CO1 ZINC000902522439 654181281 /nfs/dbraw/zinc/18/12/81/654181281.db2.gz XCBRZYURUOGGTB-HNNXBMFYSA-N 1 0 394.269 2.183 20 0 GEADRO C[C@H]1CN(CCn2cnc(Br)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000851848186 654191000 /nfs/dbraw/zinc/19/10/00/654191000.db2.gz JUHVZRRXCQLGMW-NWDGAFQWSA-N 1 0 388.310 2.276 20 0 GEADRO C[C@@H]1CN(CCn2cnc(Br)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000851848183 654191075 /nfs/dbraw/zinc/19/10/75/654191075.db2.gz JUHVZRRXCQLGMW-NEPJUHHUSA-N 1 0 388.310 2.276 20 0 GEADRO COC(=O)[C@@H](c1ccccc1Br)N1CC[NH+](CCCCO)CC1 ZINC000851848662 654191138 /nfs/dbraw/zinc/19/11/38/654191138.db2.gz MHEBULXRCCCQRE-MRXNPFEDSA-N 1 0 385.302 2.053 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000890050770 654194591 /nfs/dbraw/zinc/19/45/91/654194591.db2.gz YGNXGVLYUCPZKE-DZKIICNBSA-N 1 0 393.281 2.274 20 0 GEADRO COc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1Br ZINC000919868872 654194720 /nfs/dbraw/zinc/19/47/20/654194720.db2.gz XUCBFCIKAQVDDQ-NEPJUHHUSA-N 1 0 389.315 2.315 20 0 GEADRO O=C(NCc1nc(C(F)(F)F)cs1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000919901395 654195592 /nfs/dbraw/zinc/19/55/92/654195592.db2.gz UJMJYJSACIRLTB-NSHDSACASA-N 1 0 378.420 2.214 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2cn(C)nn2)c1 ZINC000902796768 654198145 /nfs/dbraw/zinc/19/81/45/654198145.db2.gz QDZVZJQPLUOODM-NSHDSACASA-N 1 0 396.289 2.057 20 0 GEADRO O=C(c1cccnc1I)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000831695807 654200600 /nfs/dbraw/zinc/20/06/00/654200600.db2.gz YLFMBCJGLWZYOH-LBPRGKRZSA-N 1 0 385.249 2.148 20 0 GEADRO O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870871034 654201456 /nfs/dbraw/zinc/20/14/56/654201456.db2.gz GMMBDYRZZGJMIY-LLVKDONJSA-N 1 0 376.448 2.224 20 0 GEADRO Cc1cccc(OC[C@@H](O)CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)c1 ZINC000870873827 654201529 /nfs/dbraw/zinc/20/15/29/654201529.db2.gz STPZKTYQFCEOKZ-RDJZCZTQSA-N 1 0 393.281 2.313 20 0 GEADRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCCN(c2nccs2)CC1 ZINC000870874263 654201581 /nfs/dbraw/zinc/20/15/81/654201581.db2.gz CGBWFSGDUVQRCN-UHFFFAOYSA-N 1 0 377.539 2.419 20 0 GEADRO C[C@H]1[C@@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[N@@H+]1C ZINC000920074251 654201752 /nfs/dbraw/zinc/20/17/52/654201752.db2.gz UPJXWDQEYZCRBS-GWCFXTLKSA-N 1 0 393.289 2.126 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000890174213 654201896 /nfs/dbraw/zinc/20/18/96/654201896.db2.gz 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GEADRO O=C(NCCC[NH2+][C@@H]1CCO[C@@]12CCOC2)c1ccc(Br)cc1 ZINC000903088057 654215925 /nfs/dbraw/zinc/21/59/25/654215925.db2.gz IHRXOYNKKFFXFQ-NVXWUHKLSA-N 1 0 383.286 2.107 20 0 GEADRO COCCN1CC[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000903093507 654216317 /nfs/dbraw/zinc/21/63/17/654216317.db2.gz RWZIDBXFGLQKFD-OCCSQVGLSA-N 1 0 380.432 2.351 20 0 GEADRO Cn1cc(Br)cc1-c1nnc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)n1C ZINC000871045008 654217532 /nfs/dbraw/zinc/21/75/32/654217532.db2.gz DFCXPSINLMBSOP-AAEUAGOBSA-N 1 0 379.306 2.114 20 0 GEADRO Cn1cc(Br)cc1-c1nnc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)n1C ZINC000871045016 654217552 /nfs/dbraw/zinc/21/75/52/654217552.db2.gz DFCXPSINLMBSOP-YPMHNXCESA-N 1 0 379.306 2.114 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000890402328 654218613 /nfs/dbraw/zinc/21/86/13/654218613.db2.gz RACQBJFNFNJGPI-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852144766 654221391 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GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCC1 ZINC000903188509 654225438 /nfs/dbraw/zinc/22/54/38/654225438.db2.gz DXKXPLZLTOQRGJ-UHFFFAOYSA-N 1 0 386.480 2.453 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c1F ZINC000903203568 654226095 /nfs/dbraw/zinc/22/60/95/654226095.db2.gz BXLHKGZQSOTKJX-UHFFFAOYSA-N 1 0 390.864 2.125 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1Cl ZINC000903203283 654226245 /nfs/dbraw/zinc/22/62/45/654226245.db2.gz QSGREGMBNGRTLH-UHFFFAOYSA-N 1 0 389.880 2.296 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000903204825 654226557 /nfs/dbraw/zinc/22/65/57/654226557.db2.gz ZIVNJRJUVKAMLI-UHFFFAOYSA-N 1 0 386.901 2.294 20 0 GEADRO CC[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903214817 654227971 /nfs/dbraw/zinc/22/79/71/654227971.db2.gz VWKGZOPIYKMFKW-SWLSCSKDSA-N 1 0 387.933 2.157 20 0 GEADRO O=C(NCCC1SCCS1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000852248686 654228032 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396.167 2.271 20 0 GEADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000903323688 654234171 /nfs/dbraw/zinc/23/41/71/654234171.db2.gz GDQVBRROXQSYRL-SKDRFNHKSA-N 1 0 384.274 2.417 20 0 GEADRO Cn1nnnc1CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000903348586 654234647 /nfs/dbraw/zinc/23/46/47/654234647.db2.gz GONTYAGPGFEUQB-HOCLYGCPSA-N 1 0 380.290 2.415 20 0 GEADRO CO[C@@]1(C[NH2+][C@H](C)Cc2ccc(F)cc2Br)CCS(=O)(=O)C1 ZINC000903362336 654235273 /nfs/dbraw/zinc/23/52/73/654235273.db2.gz DSUSMXUZYWBJTP-IAQYHMDHSA-N 1 0 394.306 2.313 20 0 GEADRO CO[C@]1(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCS(=O)(=O)C1 ZINC000903362266 654235330 /nfs/dbraw/zinc/23/53/30/654235330.db2.gz CVYTUBCQTCDVGH-HIFRSBDPSA-N 1 0 392.290 2.369 20 0 GEADRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000852431255 654238666 /nfs/dbraw/zinc/23/86/66/654238666.db2.gz QYIDPDCKMXBNPX-CHWSQXEVSA-N 1 0 375.252 2.260 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)cc1Br ZINC000903432273 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GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cccc(Br)c2)CC[C@H]1C(F)(F)F ZINC000903577694 654260158 /nfs/dbraw/zinc/26/01/58/654260158.db2.gz REAVCVDRWGILKA-MNOVXSKESA-N 1 0 387.221 2.349 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC[C@H]1C(F)(F)F ZINC000903578082 654260689 /nfs/dbraw/zinc/26/06/89/654260689.db2.gz BIPIEJRLGSYORD-PSASIEDQSA-N 1 0 392.321 2.327 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H]3[NH2+]CC3(C)C)C[C@H]1C2(Br)Br ZINC000852901819 654266633 /nfs/dbraw/zinc/26/66/33/654266633.db2.gz SDUSZPCOTBAJIA-PTRXPTGYSA-N 1 0 380.124 2.339 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC[C@H]1C(F)(F)F ZINC000903578073 654260789 /nfs/dbraw/zinc/26/07/89/654260789.db2.gz BHMOISJALXTXBW-RQJHMYQMSA-N 1 0 378.203 2.289 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC[C@@H]1C(F)(F)F ZINC000903578865 654261108 /nfs/dbraw/zinc/26/11/08/654261108.db2.gz KSFHDPMMSZJZBG-IUCAKERBSA-N 1 0 377.310 2.001 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)=NO1 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PBMVFRVINIRUNC-UHFFFAOYSA-N 1 0 376.258 2.160 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000852826661 654262253 /nfs/dbraw/zinc/26/22/53/654262253.db2.gz NHXMIRWLIXOUCU-UHFFFAOYSA-N 1 0 378.416 2.442 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000871810627 654262465 /nfs/dbraw/zinc/26/24/65/654262465.db2.gz IWINPPRGVWZBKT-KWQFWETISA-N 1 0 387.221 2.207 20 0 GEADRO COc1cc(C)c(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000871810192 654262541 /nfs/dbraw/zinc/26/25/41/654262541.db2.gz KAZUCZZDDPLVGS-CYBMUJFWSA-N 1 0 388.917 2.094 20 0 GEADRO CC[NH2+]CCCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000832378762 654262685 /nfs/dbraw/zinc/26/26/85/654262685.db2.gz VJVPMVKLAWHPIC-UHFFFAOYSA-N 1 0 375.922 2.100 20 0 GEADRO CC[NH2+]CCCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000832377451 654262703 /nfs/dbraw/zinc/26/27/03/654262703.db2.gz AVSUDGCDHKRETG-UHFFFAOYSA-N 1 0 394.324 2.164 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)N2CCC[C@@H]2c2ccccc2I)=NO1 ZINC000852840769 654262704 /nfs/dbraw/zinc/26/27/04/654262704.db2.gz SPYIDNCGFHJRNK-QMTHXVAHSA-N 1 0 399.232 2.058 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)=NO1 ZINC000852835672 654262771 /nfs/dbraw/zinc/26/27/71/654262771.db2.gz QYHMQMWQMCXIQV-RMLUDKJBSA-N 1 0 376.215 2.136 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@H]1C(F)(F)F ZINC000871812664 654263207 /nfs/dbraw/zinc/26/32/07/654263207.db2.gz BECGLZUWKJMZRJ-IONNQARKSA-N 1 0 392.321 2.185 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)CCC2Cc3ccccc3C2)C[C@@H]1C(F)(F)F ZINC000871812618 654263317 /nfs/dbraw/zinc/26/33/17/654263317.db2.gz IJQPSIOUKYMNKD-HOTGVXAUSA-N 1 0 376.444 2.190 20 0 GEADRO COC(=O)c1cc2nc(NC(=O)C3CC[NH+](C)CC3)[nH]c2c(Br)c1 ZINC000891092849 654263525 /nfs/dbraw/zinc/26/35/25/654263525.db2.gz KXYBZGWZFRSZSN-UHFFFAOYSA-N 1 0 395.257 2.392 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C[C@H]1C(F)(F)F ZINC000871813478 654263547 /nfs/dbraw/zinc/26/35/47/654263547.db2.gz IULKOZMVXCSLJE-GXSJLCMTSA-N 1 0 396.818 2.227 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871813526 654263632 /nfs/dbraw/zinc/26/36/32/654263632.db2.gz JLKXSDILZQTDSH-GHMZBOCLSA-N 1 0 384.807 2.300 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1C(F)(F)F ZINC000871813368 654263645 /nfs/dbraw/zinc/26/36/45/654263645.db2.gz IEFUDIIVXPQECV-BQBZGAKWSA-N 1 0 378.203 2.146 20 0 GEADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000921406551 654263736 /nfs/dbraw/zinc/26/37/36/654263736.db2.gz KPDFWQPTKLKABV-YUTCNCBUSA-N 1 0 382.306 2.426 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903587758 654264157 /nfs/dbraw/zinc/26/41/57/654264157.db2.gz AZNPXASQDBWTJW-IAQYHMDHSA-N 1 0 388.331 2.017 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1Br ZINC000871815819 654264689 /nfs/dbraw/zinc/26/46/89/654264689.db2.gz VKVGKJZXZSWXKA-UONOGXRCSA-N 1 0 375.288 2.021 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852878160 654264800 /nfs/dbraw/zinc/26/48/00/654264800.db2.gz MGGCWSUNMBQPQB-LLVKDONJSA-N 1 0 398.248 2.205 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903592533 654265105 /nfs/dbraw/zinc/26/51/05/654265105.db2.gz OLKHCNAYIFLLSJ-ABAIWWIYSA-N 1 0 389.315 2.350 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903592424 654265146 /nfs/dbraw/zinc/26/51/46/654265146.db2.gz DTNXQGLRLAHORY-HNNXBMFYSA-N 1 0 388.331 2.032 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871817796 654265334 /nfs/dbraw/zinc/26/53/34/654265334.db2.gz UHYCFBNVGKLXFM-WMLDXEAASA-N 1 0 381.885 2.460 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871818535 654265341 /nfs/dbraw/zinc/26/53/41/654265341.db2.gz HNYNILPEANFEKQ-ZIAGYGMSSA-N 1 0 393.278 2.160 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871820500 654265568 /nfs/dbraw/zinc/26/55/68/654265568.db2.gz PPZIQEFVCIUTDY-UONOGXRCSA-N 1 0 393.278 2.160 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC000903593432 654265769 /nfs/dbraw/zinc/26/57/69/654265769.db2.gz MSYDNEJGXDNTNZ-HNNXBMFYSA-N 1 0 389.315 2.364 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852893629 654265914 /nfs/dbraw/zinc/26/59/14/654265914.db2.gz YXHXTCMBBHCCQI-HLLBOEOZSA-N 1 0 380.286 2.276 20 0 GEADRO [NH3+][C@@H](C[C@H]1CCCN(S(=O)(=O)N=S2(=O)CCCC2)C1)C1CCCC1 ZINC000871822532 654266006 /nfs/dbraw/zinc/26/60/06/654266006.db2.gz HUTHZOZVWRMCOV-ZBFHGGJFSA-N 1 0 377.576 2.113 20 0 GEADRO C[C@]12CCN(C(=O)C[C@@H]3CCC[NH2+]3)C[C@H]1C2(Br)Br ZINC000852901845 654267034 /nfs/dbraw/zinc/26/70/34/654267034.db2.gz SWWQEVWGHCYMBA-UMNHJUIQSA-N 1 0 380.124 2.483 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1ccc(I)cc1F ZINC000852904689 654267100 /nfs/dbraw/zinc/26/71/00/654267100.db2.gz SKXQMWKUBZPDJC-JTQLQIEISA-N 1 0 378.185 2.137 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000852918722 654268349 /nfs/dbraw/zinc/26/83/49/654268349.db2.gz GDKUGXXLOWVCFR-ALCCZGGFSA-N 1 0 398.301 2.162 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl ZINC000852920512 654268799 /nfs/dbraw/zinc/26/87/99/654268799.db2.gz URQBEYKOXFZBLS-JTQLQIEISA-N 1 0 396.340 2.265 20 0 GEADRO C[C@@H](NC(=O)c1ccc2ncc(I)n2c1)[C@@H]1CCC[NH2+]C1 ZINC000832498218 654270421 /nfs/dbraw/zinc/27/04/21/654270421.db2.gz XJCOAVIEVHCTDF-GHMZBOCLSA-N 1 0 398.248 2.057 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853014196 654271727 /nfs/dbraw/zinc/27/17/27/654271727.db2.gz DSCWYNQJQBWQJQ-UHFFFAOYSA-N 1 0 382.302 2.148 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@H]2CCN(CC(F)(F)F)C2)(C(F)(F)F)CC1 ZINC000891213096 654272495 /nfs/dbraw/zinc/27/24/95/654272495.db2.gz HTDSQFUELRCAJK-NSHDSACASA-N 1 0 375.357 2.404 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cncc(Br)c1)c1cccnc1 ZINC000921482287 654272863 /nfs/dbraw/zinc/27/28/63/654272863.db2.gz IHJUEHFIQJAFOC-OAHLLOKOSA-N 1 0 399.314 2.210 20 0 GEADRO CCOC(CCC[NH2+]Cc1cn(C)nc1I)OCC ZINC000921492021 654274505 /nfs/dbraw/zinc/27/45/05/654274505.db2.gz BEONVOKBPUEOGQ-UHFFFAOYSA-N 1 0 381.258 2.294 20 0 GEADRO CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NCC[NH2+]C)c(Cl)cc1Cl ZINC000832573392 654276954 /nfs/dbraw/zinc/27/69/54/654276954.db2.gz OOXZZQKVDRAOHS-JTQLQIEISA-N 1 0 396.340 2.410 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000921512027 654277145 /nfs/dbraw/zinc/27/71/45/654277145.db2.gz ZFFUVUULVBDITJ-CYBMUJFWSA-N 1 0 391.335 2.048 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)c2ccccn2)cc1Br ZINC000853111164 654279579 /nfs/dbraw/zinc/27/95/79/654279579.db2.gz OMBUILXTGSPTHU-YOEHRIQHSA-N 1 0 395.297 2.327 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853110940 654279770 /nfs/dbraw/zinc/27/97/70/654279770.db2.gz MJZJBWALFFFIAD-DYVFJYSZSA-N 1 0 395.297 2.327 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cccs2)CC[C@H]1C(F)(F)F ZINC000903716272 654280917 /nfs/dbraw/zinc/28/09/17/654280917.db2.gz SZUUWORLIIHYBV-IJLUTSLNSA-N 1 0 375.416 2.150 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000832612065 654281059 /nfs/dbraw/zinc/28/10/59/654281059.db2.gz HFLCUZKNFNMUGZ-UHFFFAOYSA-N 1 0 387.933 2.242 20 0 GEADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903721120 654281565 /nfs/dbraw/zinc/28/15/65/654281565.db2.gz MWDMQSSTHBBMLZ-BXKDBHETSA-N 1 0 398.212 2.300 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903754507 654282307 /nfs/dbraw/zinc/28/23/07/654282307.db2.gz JLFJWDNXLUWKQS-UKRRQHHQSA-N 1 0 396.329 2.159 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCCN2CC(=O)Nc1ccccc1I ZINC000903796046 654283749 /nfs/dbraw/zinc/28/37/49/654283749.db2.gz RELWOYKMJHXWET-WBMJQRKESA-N 1 0 399.276 2.433 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCCN2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000903795295 654283842 /nfs/dbraw/zinc/28/38/42/654283842.db2.gz JZVDXCTUADEXRZ-CZUORRHYSA-N 1 0 387.343 2.426 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCCN2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000903795815 654283848 /nfs/dbraw/zinc/28/38/48/654283848.db2.gz PCTBAJAPMAQWPF-SJKOYZFVSA-N 1 0 377.286 2.160 20 0 GEADRO C[C@@H](NC(=O)CN(C)C1(C[NH3+])CCOCC1)c1ccc(Br)cc1 ZINC000903804415 654284277 /nfs/dbraw/zinc/28/42/77/654284277.db2.gz FORCBHCJSNDTON-CYBMUJFWSA-N 1 0 384.318 2.066 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000903836064 654285173 /nfs/dbraw/zinc/28/51/73/654285173.db2.gz CDVDFWVNOWGYMZ-OAHLLOKOSA-N 1 0 395.301 2.233 20 0 GEADRO CC(C)[C@H](C(=O)N[C@@H](CO)c1ccccc1I)[NH+](C)C ZINC000891324534 654286692 /nfs/dbraw/zinc/28/66/92/654286692.db2.gz HVBOCOBVTVRZKK-UONOGXRCSA-N 1 0 390.265 2.027 20 0 GEADRO [NH3+][C@H](CC(F)F)CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000903904156 654291000 /nfs/dbraw/zinc/29/10/00/654291000.db2.gz PZCDDSSHNRNNAS-CMPLNLGQSA-N 1 0 391.260 2.477 20 0 GEADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891395755 654291061 /nfs/dbraw/zinc/29/10/61/654291061.db2.gz WLUAVJLCWVBZAY-HOTGVXAUSA-N 1 0 394.313 2.253 20 0 GEADRO [NH3+][C@@H](CC(F)F)CN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000903904118 654291135 /nfs/dbraw/zinc/29/11/35/654291135.db2.gz PLHZUSGIXNREBA-JTQLQIEISA-N 1 0 387.905 2.080 20 0 GEADRO C[C@]1(NC(=O)Nc2cnc(Br)c(Br)c2)CC[NH2+]C1 ZINC000853315211 654291671 /nfs/dbraw/zinc/29/16/71/654291671.db2.gz YNSWGTPJAWNKQD-NSHDSACASA-N 1 0 378.068 2.480 20 0 GEADRO Cc1nc(CNCCNS(=O)(=O)c2ccccc2)sc1Br ZINC000921607853 654291762 /nfs/dbraw/zinc/29/17/62/654291762.db2.gz MFISZCWOGBWREM-UHFFFAOYSA-N 1 0 390.328 2.282 20 0 GEADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C[C@@H](N)CC(F)F)CC2)cc1 ZINC000903923535 654292065 /nfs/dbraw/zinc/29/20/65/654292065.db2.gz WLJDAFPXYZOAID-ZDUSSCGKSA-N 1 0 375.485 2.021 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000832743406 654292854 /nfs/dbraw/zinc/29/28/54/654292854.db2.gz YAZBDCHQCOFDPR-VXGBXAGGSA-N 1 0 378.274 2.229 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(C)c(Br)n1)[C@@H]1CC[N@H+](C)C1 ZINC000832743360 654292868 /nfs/dbraw/zinc/29/28/68/654292868.db2.gz XGFKPQDCKXXDJW-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000891425884 654293030 /nfs/dbraw/zinc/29/30/30/654293030.db2.gz OGONRUQGQYSQJC-IPYPFGDCSA-N 1 0 381.318 2.407 20 0 GEADRO O=S1(=O)N=C(Cl)c2ccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc21 ZINC000853352639 654293433 /nfs/dbraw/zinc/29/34/33/654293433.db2.gz CDNLOKOBLWQMCH-GFCCVEGCSA-N 1 0 383.901 2.287 20 0 GEADRO Brc1ccc2ncc(CN[C@@H]3C[NH2+]CC4(CCOCC4)C3)n2c1 ZINC000903972904 654294040 /nfs/dbraw/zinc/29/40/40/654294040.db2.gz MDDDCUZQOSDDDG-AWEZNQCLSA-N 1 0 379.302 2.345 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853401128 654295043 /nfs/dbraw/zinc/29/50/43/654295043.db2.gz HVASJNWCLSIJGS-CYBMUJFWSA-N 1 0 394.313 2.146 20 0 GEADRO CCC1([NH3+])CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)CC1 ZINC000891474220 654295972 /nfs/dbraw/zinc/29/59/72/654295972.db2.gz SUGPALRTVPBRBK-UHFFFAOYSA-N 1 0 397.317 2.092 20 0 GEADRO CCN(C(=O)NCCC(=O)Nc1ccc(Br)cc1C)[C@@H]1CC[NH2+]C1 ZINC000891482561 654296737 /nfs/dbraw/zinc/29/67/37/654296737.db2.gz MKPZLZBRYZHNFY-CQSZACIVSA-N 1 0 397.317 2.480 20 0 GEADRO O=C(c1cccnc1I)N1CCC([NH2+]CC2CC2)CC1 ZINC000832790443 654296819 /nfs/dbraw/zinc/29/68/19/654296819.db2.gz WWKGQTKKGYRSRQ-UHFFFAOYSA-N 1 0 385.249 2.290 20 0 GEADRO CCN(C(=O)NCc1cc(OC)c(OC)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000891495559 654297630 /nfs/dbraw/zinc/29/76/30/654297630.db2.gz ZPVCSFDYVLDKFQ-GFCCVEGCSA-N 1 0 386.290 2.360 20 0 GEADRO CCO[C@@H](CNS(=O)(=O)c1cc(C)ccc1Br)C[NH+](C)C ZINC000921640676 654297671 /nfs/dbraw/zinc/29/76/71/654297671.db2.gz GAIVQYFZQKQQKK-LBPRGKRZSA-N 1 0 379.320 2.003 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000832823750 654298544 /nfs/dbraw/zinc/29/85/44/654298544.db2.gz WEGXENOPNOJDPV-MRXNPFEDSA-N 1 0 376.328 2.369 20 0 GEADRO CS[C@@H]1CN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)C[C@H]1[NH+]1CCCC1 ZINC000853483981 654298680 /nfs/dbraw/zinc/29/86/80/654298680.db2.gz UGRRJULYIUTEJY-ZIAGYGMSSA-N 1 0 385.942 2.390 20 0 GEADRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCc2n[nH]cc2Br)cc1 ZINC000891580012 654301592 /nfs/dbraw/zinc/30/15/92/654301592.db2.gz RMKZTELEBYNFQH-OAHLLOKOSA-N 1 0 394.273 2.037 20 0 GEADRO CO[C@@H](C[NH3+])c1nc(Cc2cccc(F)c2I)no1 ZINC000904104030 654301598 /nfs/dbraw/zinc/30/15/98/654301598.db2.gz KUUNJXYDMFSJPY-VIFPVBQESA-N 1 0 377.157 2.050 20 0 GEADRO Brc1cc2c(cc1Cc1noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n1)OCO2 ZINC000904102951 654301768 /nfs/dbraw/zinc/30/17/68/654301768.db2.gz ITXDAOPXQPWQKI-FTGAXOIBSA-N 1 0 378.226 2.475 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cnc(Br)cn2)[C@H]1c1ccccc1 ZINC000921679368 654303499 /nfs/dbraw/zinc/30/34/99/654303499.db2.gz WFFJXGHGZHPHGD-GDBMZVCRSA-N 1 0 390.285 2.484 20 0 GEADRO Cn1cc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(Br)n1 ZINC000921678598 654303666 /nfs/dbraw/zinc/30/36/66/654303666.db2.gz MBDWUYNSXZSYEI-HUUCEWRRSA-N 1 0 392.301 2.427 20 0 GEADRO CCn1c(C[NH2+]CC2(O)CCOCC2)nc(Br)c1Br ZINC000921681117 654303911 /nfs/dbraw/zinc/30/39/11/654303911.db2.gz KMILSHPXJOCCKK-UHFFFAOYSA-N 1 0 397.111 2.059 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(I)c1 ZINC000904276608 654306910 /nfs/dbraw/zinc/30/69/10/654306910.db2.gz UKZWTQXNINHLIJ-ZDUSSCGKSA-N 1 0 389.237 2.133 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)C[C@@H]1C(F)(F)F ZINC000891691837 654307285 /nfs/dbraw/zinc/30/72/85/654307285.db2.gz RFBXCHNQYOAIJI-UWVGGRQHSA-N 1 0 396.207 2.433 20 0 GEADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904299467 654307334 /nfs/dbraw/zinc/30/73/34/654307334.db2.gz FGPLHISVVGKPLG-BFHYXJOUSA-N 1 0 395.301 2.300 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872006521 654310362 /nfs/dbraw/zinc/31/03/62/654310362.db2.gz IMLXLENOVCUAOI-ZFWWWQNUSA-N 1 0 385.917 2.376 20 0 GEADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872006760 654310373 /nfs/dbraw/zinc/31/03/73/654310373.db2.gz UJVYZLDLXQHEGD-UHFFFAOYSA-N 1 0 385.917 2.330 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNc1cc(Br)cnc1Br ZINC000804447138 654310777 /nfs/dbraw/zinc/31/07/77/654310777.db2.gz XQRSIBASKSLSLA-SNVBAGLBSA-N 1 0 378.112 2.264 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(Cn2c(=O)oc3ccc(Br)cc32)CCO1 ZINC000853624926 654311150 /nfs/dbraw/zinc/31/11/50/654311150.db2.gz MXSHDHCAGIFJLM-AWEZNQCLSA-N 1 0 398.301 2.357 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000904520139 654313022 /nfs/dbraw/zinc/31/30/22/654313022.db2.gz FNPZRAVDTJVNEA-SNVBAGLBSA-N 1 0 384.893 2.039 20 0 GEADRO CN1CCN(C)[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872034092 654313054 /nfs/dbraw/zinc/31/30/54/654313054.db2.gz GDEQZCUTJQZOAA-CGTJXYLNSA-N 1 0 382.346 2.362 20 0 GEADRO Cn1cc(Cc2noc(C[C@@H]([NH3+])Cc3ccc(Br)cc3)n2)cn1 ZINC000904577315 654313953 /nfs/dbraw/zinc/31/39/53/654313953.db2.gz NTZRDWRIVOXNDJ-AWEZNQCLSA-N 1 0 376.258 2.269 20 0 GEADRO [NH3+]CCN1CCC[C@@H](c2nc(-c3cc(F)cc(Br)c3)no2)C1=O ZINC000904665381 654315280 /nfs/dbraw/zinc/31/52/80/654315280.db2.gz NKUUWMZBYDLUSS-LBPRGKRZSA-N 1 0 383.221 2.303 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000891858783 654315831 /nfs/dbraw/zinc/31/58/31/654315831.db2.gz VYDKRHNYDRBTRL-RISCZKNCSA-N 1 0 378.274 2.266 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000891864975 654315868 /nfs/dbraw/zinc/31/58/68/654315868.db2.gz LLMFDNZBUVIUOD-KRWDZBQOSA-N 1 0 385.555 2.217 20 0 GEADRO C[C@@]1(c2nc(-c3csc(I)c3)no2)C[NH2+]CCO1 ZINC000872179525 654316058 /nfs/dbraw/zinc/31/60/58/654316058.db2.gz HNQDLKJCOOCEAL-NSHDSACASA-N 1 0 377.207 2.238 20 0 GEADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1-c1nc(-c2cnn(C)c2Br)no1 ZINC000872180644 654316076 /nfs/dbraw/zinc/31/60/76/654316076.db2.gz SSWNGADAHUSEIV-SNVBAGLBSA-N 1 0 392.261 2.329 20 0 GEADRO CCCNC(=O)Cc1noc(C[C@@H]([NH3+])Cc2ccc(Br)cc2)n1 ZINC000904682199 654316062 /nfs/dbraw/zinc/31/60/62/654316062.db2.gz AZXUMAWEGKCNIA-ZDUSSCGKSA-N 1 0 381.274 2.013 20 0 GEADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872186751 654316682 /nfs/dbraw/zinc/31/66/82/654316682.db2.gz ZDBYUWHHSNMEGU-MWLCHTKSSA-N 1 0 397.850 2.346 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1COC2(CCOCC2)O1)COc1cc(Cl)cc(Cl)c1 ZINC000872206058 654317105 /nfs/dbraw/zinc/31/71/05/654317105.db2.gz SFHVDLGMCBCZFC-GDBMZVCRSA-N 1 0 392.279 2.245 20 0 GEADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000872219407 654317381 /nfs/dbraw/zinc/31/73/81/654317381.db2.gz RUGOBRKZIBWVEB-UHFFFAOYSA-N 1 0 377.547 2.459 20 0 GEADRO Cc1ccc(Br)cc1-c1noc([C@H]2CCCN(CC[NH3+])C2=O)n1 ZINC000904711623 654317576 /nfs/dbraw/zinc/31/75/76/654317576.db2.gz GFHMDAXHQIZSLV-GFCCVEGCSA-N 1 0 379.258 2.472 20 0 GEADRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000872229138 654317840 /nfs/dbraw/zinc/31/78/40/654317840.db2.gz NEVFYFUTQSFJSQ-YSLLHCQFSA-N 1 0 384.270 2.120 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CC[NH2+]CCC23CCC3)c2ccsc2S1(=O)=O ZINC000891909927 654318254 /nfs/dbraw/zinc/31/82/54/654318254.db2.gz OLEHUUQKGZQXIZ-JSGCOSHPSA-N 1 0 383.539 2.283 20 0 GEADRO COC[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cccc(Br)c1 ZINC000872235948 654318401 /nfs/dbraw/zinc/31/84/01/654318401.db2.gz FASWVHJYIFIFNR-NVXWUHKLSA-N 1 0 388.302 2.283 20 0 GEADRO CS[C@@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000921757204 654318870 /nfs/dbraw/zinc/31/88/70/654318870.db2.gz NKVCYQGPGGTEHK-JKSUJKDBSA-N 1 0 376.588 2.223 20 0 GEADRO C[C@](O)(C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000834357519 654319123 /nfs/dbraw/zinc/31/91/23/654319123.db2.gz LMCSDZODEFMYTH-HZMBPMFUSA-N 1 0 396.734 2.334 20 0 GEADRO Cc1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Br)c1 ZINC000872254588 654320025 /nfs/dbraw/zinc/32/00/25/654320025.db2.gz AIWJQLRKLXCMNX-BMFZPTHFSA-N 1 0 380.286 2.124 20 0 GEADRO O=C(CCc1cc(Cl)cs1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872258553 654320362 /nfs/dbraw/zinc/32/03/62/654320362.db2.gz OKKQOXGYMLIEDX-CABCVRRESA-N 1 0 383.901 2.118 20 0 GEADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)NC[C@H]1CCC[NH2+]1 ZINC000891999748 654322883 /nfs/dbraw/zinc/32/28/83/654322883.db2.gz MRRZSMRCNKEHLM-CYBMUJFWSA-N 1 0 378.274 2.186 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000834426619 654323438 /nfs/dbraw/zinc/32/34/38/654323438.db2.gz REJMCLSLPXQKMM-UHFFFAOYSA-N 1 0 392.301 2.492 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892015791 654325192 /nfs/dbraw/zinc/32/51/92/654325192.db2.gz QHNKQPZEOPPUEG-KGLIPLIRSA-N 1 0 376.284 2.127 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1nc(Br)c[nH]1 ZINC000921801558 654325402 /nfs/dbraw/zinc/32/54/02/654325402.db2.gz UPASQZQHSSMEDK-VXGBXAGGSA-N 1 0 393.351 2.101 20 0 GEADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)N[C@H]1CCC[NH2+]C1 ZINC000892018783 654325570 /nfs/dbraw/zinc/32/55/70/654325570.db2.gz NCGWECVGQUQHJJ-ZDUSSCGKSA-N 1 0 378.274 2.186 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000904969151 654325906 /nfs/dbraw/zinc/32/59/06/654325906.db2.gz AOZNUSCCTUFPNJ-RDTXWAMCSA-N 1 0 394.313 2.137 20 0 GEADRO Cc1nc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)sc1Br ZINC000921813234 654326504 /nfs/dbraw/zinc/32/65/04/654326504.db2.gz DCEXZKNMVAAOTJ-LKFCYVNXSA-N 1 0 387.303 2.024 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCC1=CC[NH2+]CC1 ZINC000892064733 654326942 /nfs/dbraw/zinc/32/69/42/654326942.db2.gz DZOFIQBRZWXRLQ-OAHLLOKOSA-N 1 0 388.295 2.294 20 0 GEADRO C[C@](O)(C[NH2+]CCS(=O)(=O)Cc1ccccc1)C(F)(F)C(F)(F)F ZINC000905059809 654328599 /nfs/dbraw/zinc/32/85/99/654328599.db2.gz IPCYSISZNGMCDG-LBPRGKRZSA-N 1 0 375.359 2.140 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CCC1)C[C@@]1(O)CCOC1 ZINC000905063188 654329056 /nfs/dbraw/zinc/32/90/56/654329056.db2.gz UZIKXRQAMMAGLQ-WMZOPIPTSA-N 1 0 384.314 2.363 20 0 GEADRO O=C(NCCC[NH2+]C[C@H](O)CCC1(O)CCC1)c1cccc(Br)c1 ZINC000905082491 654329857 /nfs/dbraw/zinc/32/98/57/654329857.db2.gz SYOAKJUEFJBFLC-MRXNPFEDSA-N 1 0 399.329 2.215 20 0 GEADRO C[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)Sc1ccc(Br)cc1 ZINC000905106976 654332262 /nfs/dbraw/zinc/33/22/62/654332262.db2.gz UCPWPBOEFKIBSU-INWMFGNUSA-N 1 0 390.343 2.422 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@](C)(O)C(F)F)c1 ZINC000905107507 654332265 /nfs/dbraw/zinc/33/22/65/654332265.db2.gz ZYUUFLBZAUGVHA-HNNXBMFYSA-N 1 0 395.244 2.183 20 0 GEADRO Cc1cc(Br)c2c(c1)CCN(C(=O)NC[C@@H]1C[NH2+]CCCO1)C2 ZINC000892168965 654332481 /nfs/dbraw/zinc/33/24/81/654332481.db2.gz KXRBTQXXXICNKR-AWEZNQCLSA-N 1 0 382.302 2.204 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000892187777 654333443 /nfs/dbraw/zinc/33/34/43/654333443.db2.gz MVJIJTBPLJGBSM-SJXGUFTOSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@H](CCNC(=O)N1CCn2ncc(Br)c2C1)[NH+]1CCCCC1 ZINC000853983691 654335002 /nfs/dbraw/zinc/33/50/02/654335002.db2.gz KXZYNMLLLQJSFZ-CYBMUJFWSA-N 1 0 384.322 2.435 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000834564331 654335282 /nfs/dbraw/zinc/33/52/82/654335282.db2.gz JJCQFJOEOXJCGL-CQSZACIVSA-N 1 0 376.682 2.026 20 0 GEADRO C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1nc(Br)cs1 ZINC000834571653 654336065 /nfs/dbraw/zinc/33/60/65/654336065.db2.gz VNAWBIDQQFABSJ-QWRGUYRKSA-N 1 0 375.336 2.144 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C[C@]1(O)CCOC1 ZINC000905189918 654337321 /nfs/dbraw/zinc/33/73/21/654337321.db2.gz JLKHAPZOJJWDBP-GXTWGEPZSA-N 1 0 398.219 2.460 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905203368 654338594 /nfs/dbraw/zinc/33/85/94/654338594.db2.gz VRVXZRFYUGBICZ-RCBQFDQVSA-N 1 0 388.302 2.017 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1(O)CCOCC1 ZINC000905203962 654338623 /nfs/dbraw/zinc/33/86/23/654338623.db2.gz TWCYRYZDYYUVFZ-LRDDRELGSA-N 1 0 375.296 2.064 20 0 GEADRO C[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000854056049 654338749 /nfs/dbraw/zinc/33/87/49/654338749.db2.gz WKJVKFYVKSSVEL-UCSSDQKISA-N 1 0 379.448 2.288 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000805039995 654339646 /nfs/dbraw/zinc/33/96/46/654339646.db2.gz DPLORMKVOOKLIA-GJZGRUSLSA-N 1 0 387.933 2.090 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000805039996 654339686 /nfs/dbraw/zinc/33/96/86/654339686.db2.gz DPLORMKVOOKLIA-HUUCEWRRSA-N 1 0 387.933 2.090 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[N@@H+]1C ZINC000872455714 654341049 /nfs/dbraw/zinc/34/10/49/654341049.db2.gz ZJWDLNALVJFUKL-WCQYABFASA-N 1 0 385.917 2.376 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C1 ZINC000854150945 654342213 /nfs/dbraw/zinc/34/22/13/654342213.db2.gz DBGBUWBEPLKPLC-CQSZACIVSA-N 1 0 396.329 2.394 20 0 GEADRO C[NH+](C)CCCNC(=O)c1cnn(-c2ccccc2)c1I ZINC000854145273 654342296 /nfs/dbraw/zinc/34/22/96/654342296.db2.gz VQSLEYJYQCCUTM-UHFFFAOYSA-N 1 0 398.248 2.158 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905248976 654343869 /nfs/dbraw/zinc/34/38/69/654343869.db2.gz WXLOJOUHIFYCFE-BYCMXARLSA-N 1 0 381.325 2.334 20 0 GEADRO Cc1cc(Cl)nc(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)c1 ZINC000905247123 654344065 /nfs/dbraw/zinc/34/40/65/654344065.db2.gz MPIHREGBXLWLJQ-CQSZACIVSA-N 1 0 389.949 2.135 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000834704257 654344436 /nfs/dbraw/zinc/34/44/36/654344436.db2.gz YUXYPMBKQGLVAQ-ZDUSSCGKSA-N 1 0 385.917 2.081 20 0 GEADRO [NH3+][C@@H](CCNC(=O)N1CCn2ncc(Br)c2C1)Cc1ccccc1 ZINC000892411255 654344670 /nfs/dbraw/zinc/34/46/70/654344670.db2.gz NYEWJSYSPJJVDR-AWEZNQCLSA-N 1 0 392.301 2.131 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1nc(Br)cs1 ZINC000834727043 654345345 /nfs/dbraw/zinc/34/53/45/654345345.db2.gz XYBLPXWUDASADG-UINNMSKDSA-N 1 0 387.303 2.277 20 0 GEADRO Nc1c(Cl)cc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000834723041 654345503 /nfs/dbraw/zinc/34/55/03/654345503.db2.gz NNFMLWZFXNFVEP-NSHDSACASA-N 1 0 385.217 2.142 20 0 GEADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872464409 654345571 /nfs/dbraw/zinc/34/55/71/654345571.db2.gz TTYAXSVVWNQJCN-UHFFFAOYSA-N 1 0 376.320 2.243 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccccc2Br)CCC1)C[C@]1(O)CCOC1 ZINC000905260956 654345959 /nfs/dbraw/zinc/34/59/59/654345959.db2.gz GBXIIBZZYNPEAY-KBXCAEBGSA-N 1 0 384.314 2.363 20 0 GEADRO Cc1csc([C@](O)(CC(=O)NCC23CCC[NH+]2CCC3)C(F)(F)F)n1 ZINC000834754598 654346689 /nfs/dbraw/zinc/34/66/89/654346689.db2.gz FFSVOOGPEMEWQR-OAHLLOKOSA-N 1 0 377.432 2.336 20 0 GEADRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000905271379 654346808 /nfs/dbraw/zinc/34/68/08/654346808.db2.gz CIHQNZMQJJRPSB-IRXDYDNUSA-N 1 0 395.297 2.075 20 0 GEADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000905274490 654347205 /nfs/dbraw/zinc/34/72/05/654347205.db2.gz TWCJJBPAPHWLLD-RIALXRMPSA-N 1 0 382.328 2.395 20 0 GEADRO O=S(=O)(CCC[NH2+]C[C@H](O)CCC1(O)CCC1)c1ccc(Cl)cc1 ZINC000905274803 654347373 /nfs/dbraw/zinc/34/73/73/654347373.db2.gz RHIFGLCOAKWWMF-OAHLLOKOSA-N 1 0 375.918 2.150 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[N@H+](C)[C@H]3C)nc12 ZINC000921959930 654347643 /nfs/dbraw/zinc/34/76/43/654347643.db2.gz KZZQDURRMQJRSO-FZMZJTMJSA-N 1 0 380.290 2.297 20 0 GEADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC1 ZINC000872470866 654348205 /nfs/dbraw/zinc/34/82/05/654348205.db2.gz KDZDGAJOHJHEKT-UHFFFAOYSA-N 1 0 383.901 2.155 20 0 GEADRO O[C@@H](C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)C1(O)CCC1 ZINC000905292851 654348706 /nfs/dbraw/zinc/34/87/06/654348706.db2.gz SARAGNCZRAAGTR-KRWDZBQOSA-N 1 0 383.330 2.279 20 0 GEADRO O=C(NCCc1ccccc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892504873 654348814 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SZFRZJXXYIXMLS-LBPRGKRZSA-N 1 0 398.248 2.105 20 0 GEADRO CCSc1cccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873105043 654415358 /nfs/dbraw/zinc/41/53/58/654415358.db2.gz SFCLCKRETVZIOP-GWCFXTLKSA-N 1 0 375.416 2.333 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc(C)c1Cl ZINC000873105889 654415667 /nfs/dbraw/zinc/41/56/67/654415667.db2.gz BXSPMWCDQYHLKV-PWSUYJOCSA-N 1 0 377.794 2.491 20 0 GEADRO CSc1cc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1C ZINC000873106405 654415690 /nfs/dbraw/zinc/41/56/90/654415690.db2.gz IQIVYRAOJUERNV-CMPLNLGQSA-N 1 0 375.416 2.251 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Br)n1 ZINC000855404875 654416990 /nfs/dbraw/zinc/41/69/90/654416990.db2.gz XTFULSJDYIEBTC-OAHLLOKOSA-N 1 0 390.281 2.341 20 0 GEADRO CC(C)(C[NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000893717814 654417729 /nfs/dbraw/zinc/41/77/29/654417729.db2.gz WFTPXKPUUDBGQG-UHFFFAOYSA-N 1 0 375.332 2.208 20 0 GEADRO C[C@H](CCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)[NH+](C)C ZINC000855416223 654417936 /nfs/dbraw/zinc/41/79/36/654417936.db2.gz ULLYETJIFDFRLV-GFCCVEGCSA-N 1 0 389.949 2.487 20 0 GEADRO C[C@@H](CCNC(=O)c1ccnc(Cl)c1I)[NH+](C)C ZINC000855414694 654418008 /nfs/dbraw/zinc/41/80/08/654418008.db2.gz BGXCANXONBGPLG-QMMMGPOBSA-N 1 0 381.645 2.410 20 0 GEADRO O[C@]1(CC[NH2+]Cc2cccc(F)c2I)CCCOC1 ZINC000873132939 654418171 /nfs/dbraw/zinc/41/81/71/654418171.db2.gz LELPXCDMTSXZMF-AWEZNQCLSA-N 1 0 379.213 2.452 20 0 GEADRO C[C@@H](CC(=O)N1CCC([NH2+]C2CCOCC2)CC1)n1cc(Br)cn1 ZINC000922887463 654418524 /nfs/dbraw/zinc/41/85/24/654418524.db2.gz OANMVQSZBYVFOI-ZDUSSCGKSA-N 1 0 399.333 2.356 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1Br ZINC000873154889 654418807 /nfs/dbraw/zinc/41/88/07/654418807.db2.gz JGBOAAGVMVRTJK-SGMGOOAPSA-N 1 0 389.315 2.144 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1Br ZINC000873154885 654418953 /nfs/dbraw/zinc/41/89/53/654418953.db2.gz 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CN(CC1CC[NH+](C)CC1)C(=O)c1cnnn1-c1ccccc1Br ZINC000906569387 654449425 /nfs/dbraw/zinc/44/94/25/654449425.db2.gz QEAMCNAHTJMUOI-UHFFFAOYSA-N 1 0 392.301 2.444 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873693011 654449577 /nfs/dbraw/zinc/44/95/77/654449577.db2.gz VPRSAHLGZKAQON-LLVKDONJSA-N 1 0 398.301 2.437 20 0 GEADRO CCOC(=O)N1CCC([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894164498 654451743 /nfs/dbraw/zinc/45/17/43/654451743.db2.gz DNYHRQDRRWURKH-UHFFFAOYSA-N 1 0 388.921 2.344 20 0 GEADRO C[C@@H](CNCc1cn(C)nc1I)[N@@H+]1CCC[C@@H](C)C1 ZINC000894176476 654453371 /nfs/dbraw/zinc/45/33/71/654453371.db2.gz LSSCDITWPRJKDI-NEPJUHHUSA-N 1 0 376.286 2.235 20 0 GEADRO O=C(c1nscc1I)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000906617622 654453740 /nfs/dbraw/zinc/45/37/40/654453740.db2.gz HOUYFQBINXPKMZ-SNVBAGLBSA-N 1 0 391.278 2.448 20 0 GEADRO C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(I)cc1 ZINC000906633081 654455162 /nfs/dbraw/zinc/45/51/62/654455162.db2.gz DXFSTYQDSOUDKQ-UBHSHLNASA-N 1 0 384.261 2.463 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[C@]([NH3+])(CO)C1 ZINC000923484022 654454982 /nfs/dbraw/zinc/45/49/82/654454982.db2.gz NBCYBDGCQGXDHS-MEBBXXQBSA-N 1 0 379.810 2.471 20 0 GEADRO Cn1cc(C[NH2+]CCOc2cccc(F)c2)c(I)n1 ZINC000894198770 654455315 /nfs/dbraw/zinc/45/53/15/654455315.db2.gz BHMNDRZFEBOORB-UHFFFAOYSA-N 1 0 375.185 2.332 20 0 GEADRO COC(=O)[C@H]1[C@@H](C[NH2+]CC(=O)Nc2ccc(Br)cc2C)C1(F)F ZINC000894209098 654456318 /nfs/dbraw/zinc/45/63/18/654456318.db2.gz NJEGJQIMBPXWPU-ZWNOBZJWSA-N 1 0 391.212 2.340 20 0 GEADRO Cc1ncoc1C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000894221200 654457422 /nfs/dbraw/zinc/45/74/22/654457422.db2.gz NCQXEGQTWSWGGY-GFCCVEGCSA-N 1 0 388.205 2.117 20 0 GEADRO CS(=O)(=O)c1ccc(-c2nc(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000923517035 654458682 /nfs/dbraw/zinc/45/86/82/654458682.db2.gz DPUCWAMLSSCAAZ-LSDHHAIUSA-N 1 0 377.535 2.255 20 0 GEADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000906688617 654460135 /nfs/dbraw/zinc/46/01/35/654460135.db2.gz HZTNCKKNPBJEDF-UHFFFAOYSA-N 1 0 383.290 2.006 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894283169 654462165 /nfs/dbraw/zinc/46/21/65/654462165.db2.gz HHFPVSKTUVLDSP-RYUDHWBXSA-N 1 0 393.962 2.079 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000894289157 654462703 /nfs/dbraw/zinc/46/27/03/654462703.db2.gz IPSSPOKYNWRCCC-CYBMUJFWSA-N 1 0 385.249 2.281 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCc1cnc(Br)cn1 ZINC000923533052 654463223 /nfs/dbraw/zinc/46/32/23/654463223.db2.gz JBAZSRVHIRTPEP-UONOGXRCSA-N 1 0 382.306 2.397 20 0 GEADRO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906726771 654464693 /nfs/dbraw/zinc/46/46/93/654464693.db2.gz GJYHTESBHFXQTE-IVZWLZJFSA-N 1 0 377.750 2.186 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c(I)n1 ZINC000894313737 654464648 /nfs/dbraw/zinc/46/46/48/654464648.db2.gz VPZHZOHLYDFVRC-TUAOUCFPSA-N 1 0 375.254 2.318 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)ccc1Br ZINC000906726908 654464762 /nfs/dbraw/zinc/46/47/62/654464762.db2.gz KMYAJKRCYLXTSE-ZLKJLUDKSA-N 1 0 396.285 2.184 20 0 GEADRO CCc1ccc(Br)c(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000873793270 654465336 /nfs/dbraw/zinc/46/53/36/654465336.db2.gz XQINGNPCVQQWQS-UHFFFAOYSA-N 1 0 380.286 2.328 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000906738776 654466385 /nfs/dbraw/zinc/46/63/85/654466385.db2.gz JLQSIDFVDGJZKB-LJGSYFOKSA-N 1 0 378.629 2.034 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894337534 654466590 /nfs/dbraw/zinc/46/65/90/654466590.db2.gz IJDJOSYPTOJQEU-IRXDYDNUSA-N 1 0 396.329 2.498 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000894344659 654467034 /nfs/dbraw/zinc/46/70/34/654467034.db2.gz VZYBSIXURWVWKT-GXFFZTMASA-N 1 0 393.294 2.169 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc3c(cc1Br)CCC3)C2 ZINC000906752352 654468096 /nfs/dbraw/zinc/46/80/96/654468096.db2.gz JFUJMJKNYOTCQU-GDLCADMTSA-N 1 0 392.297 2.215 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906766069 654469693 /nfs/dbraw/zinc/46/96/93/654469693.db2.gz SYIAEMAJJHYZFM-HNNXBMFYSA-N 1 0 386.677 2.396 20 0 GEADRO COc1ccc([C@H](C)NS(=O)(=O)[C@H]2CCC[NH2+]C2)cc1Br ZINC000923582809 654469938 /nfs/dbraw/zinc/46/99/38/654469938.db2.gz NYWMRVSINGCJQL-JQWIXIFHSA-N 1 0 377.304 2.190 20 0 GEADRO COc1ccc([C@H](C)NS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000923582807 654469945 /nfs/dbraw/zinc/46/99/45/654469945.db2.gz NYWMRVSINGCJQL-CMPLNLGQSA-N 1 0 377.304 2.190 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906766904 654470163 /nfs/dbraw/zinc/47/01/63/654470163.db2.gz ZIFKTCNGAOXIGY-QGZVFWFLSA-N 1 0 396.285 2.059 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000873830620 654470143 /nfs/dbraw/zinc/47/01/43/654470143.db2.gz KXQOPZZVCWXULI-BXUZGUMPSA-N 1 0 398.301 2.195 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000873830623 654470201 /nfs/dbraw/zinc/47/02/01/654470201.db2.gz KXQOPZZVCWXULI-SMDDNHRTSA-N 1 0 398.301 2.195 20 0 GEADRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1c(I)cnn1C ZINC000894371103 654470335 /nfs/dbraw/zinc/47/03/35/654470335.db2.gz VGAZWMIFQLKKBP-SKDRFNHKSA-N 1 0 375.210 2.220 20 0 GEADRO C[C@@H](NC(=O)Cc1cc(Br)ccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000906779107 654471343 /nfs/dbraw/zinc/47/13/43/654471343.db2.gz NNXMLTMYJWCTFF-ABAIWWIYSA-N 1 0 388.737 2.396 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1nscc1I ZINC000906792390 654472685 /nfs/dbraw/zinc/47/26/85/654472685.db2.gz OKSOZHURIBRDNB-PSASIEDQSA-N 1 0 379.267 2.160 20 0 GEADRO O=S(=O)([C@@H]1CCC[NH2+]C1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000923628423 654472915 /nfs/dbraw/zinc/47/29/15/654472915.db2.gz OXETYFHKFUDOBT-QZTJIDSGSA-N 1 0 380.535 2.366 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000906804027 654473764 /nfs/dbraw/zinc/47/37/64/654473764.db2.gz WBHIKSDOUVCVFU-CYBMUJFWSA-N 1 0 379.320 2.283 20 0 GEADRO O=S(=O)(c1occc1Br)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000923656164 654473761 /nfs/dbraw/zinc/47/37/61/654473761.db2.gz SUVHASYQBOLYGY-LBPRGKRZSA-N 1 0 377.304 2.442 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2occc2Br)CC[C@H]1C(F)(F)F ZINC000923660959 654474254 /nfs/dbraw/zinc/47/42/54/654474254.db2.gz HBVQGDDQAOCOKS-JGVFFNPUSA-N 1 0 391.209 2.190 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC000856280714 654474556 /nfs/dbraw/zinc/47/45/56/654474556.db2.gz CGCXTCZBWUZOCI-UHFFFAOYSA-N 1 0 376.469 2.462 20 0 GEADRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2nc3cc(Br)cnc3[nH]2)C1 ZINC000906807813 654474634 /nfs/dbraw/zinc/47/46/34/654474634.db2.gz ZQFTUGMVDSCLOL-NSHDSACASA-N 1 0 380.290 2.459 20 0 GEADRO C[C@@H](NC(=O)C[C@H](O)C(Cl)(Cl)Cl)C1([NH+]2CCOCC2)CCCC1 ZINC000906815707 654475126 /nfs/dbraw/zinc/47/51/26/654475126.db2.gz ONBJNTKGYDCJHS-NEPJUHHUSA-N 1 0 387.735 2.257 20 0 GEADRO CC(C)(C)c1ccc(S(=O)(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)s1 ZINC000923683918 654476382 /nfs/dbraw/zinc/47/63/82/654476382.db2.gz MJAKSSIWAFDQPR-GFCCVEGCSA-N 1 0 386.539 2.009 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923690009 654477606 /nfs/dbraw/zinc/47/76/06/654477606.db2.gz PPPRECTVIUZOSJ-VNHYZAJKSA-N 1 0 388.917 2.126 20 0 GEADRO O=C(NCc1cnc(Cl)s1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000923690990 654477617 /nfs/dbraw/zinc/47/76/17/654477617.db2.gz JVOMSZATQIQXOG-KRWDZBQOSA-N 1 0 380.901 2.233 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923697511 654478323 /nfs/dbraw/zinc/47/83/23/654478323.db2.gz ACBPGJVRABUWGQ-VHSXEESVSA-N 1 0 395.294 2.202 20 0 GEADRO C[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CC[C@@H]1C[NH3+] ZINC000923699166 654478628 /nfs/dbraw/zinc/47/86/28/654478628.db2.gz HLWBLEHVKPUOGB-WDEREUQCSA-N 1 0 379.295 2.335 20 0 GEADRO O=C(Nc1cc(Cl)cc(Cl)c1F)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000873900441 654479449 /nfs/dbraw/zinc/47/94/49/654479449.db2.gz OFVTVIOIXSTNOF-LLVKDONJSA-N 1 0 392.258 2.034 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923715161 654480268 /nfs/dbraw/zinc/48/02/68/654480268.db2.gz PQUCIPKKWHKTFZ-CMPLNLGQSA-N 1 0 393.734 2.474 20 0 GEADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923719121 654480626 /nfs/dbraw/zinc/48/06/26/654480626.db2.gz JNZUUDSEIKKZMA-CMPLNLGQSA-N 1 0 393.734 2.474 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000894504337 654481152 /nfs/dbraw/zinc/48/11/52/654481152.db2.gz OQIVMBQTMPBTPS-HNNXBMFYSA-N 1 0 385.249 2.412 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923730655 654481411 /nfs/dbraw/zinc/48/14/11/654481411.db2.gz GISGSAUPSQYUJQ-OAHLLOKOSA-N 1 0 389.315 2.364 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923737137 654481692 /nfs/dbraw/zinc/48/16/92/654481692.db2.gz XAWDHXKILAWUPJ-INIZCTEOSA-N 1 0 375.897 2.374 20 0 GEADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cn(C)nc1I ZINC000894532409 654483444 /nfs/dbraw/zinc/48/34/44/654483444.db2.gz JVMWDDLUNUKDGK-CQSZACIVSA-N 1 0 385.249 2.026 20 0 GEADRO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1c(I)cnn1C)CC2 ZINC000894543497 654484593 /nfs/dbraw/zinc/48/45/93/654484593.db2.gz RZEVHCRMEIOSRC-GFCCVEGCSA-N 1 0 399.280 2.449 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000873936825 654485086 /nfs/dbraw/zinc/48/50/86/654485086.db2.gz BXCQYGCSIGRPLO-LBPRGKRZSA-N 1 0 398.301 2.385 20 0 GEADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3CSCCS3)C2)ccn1 ZINC000856631951 654485672 /nfs/dbraw/zinc/48/56/72/654485672.db2.gz OIVOFIGYCIGZEE-IAGOWNOFSA-N 1 0 381.567 2.362 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1cnc2ccccc2c1Br)[NH+](C)C ZINC000873940960 654485929 /nfs/dbraw/zinc/48/59/29/654485929.db2.gz YVGORKHIBJIGPD-NSHDSACASA-N 1 0 393.285 2.392 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000894562474 654486645 /nfs/dbraw/zinc/48/66/45/654486645.db2.gz OSNGRCCXOYCWDY-AWEZNQCLSA-N 1 0 396.358 2.285 20 0 GEADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1nc(Br)nn1C ZINC000894566323 654487025 /nfs/dbraw/zinc/48/70/25/654487025.db2.gz MGESTMBBWKBNSA-GHMZBOCLSA-N 1 0 388.310 2.313 20 0 GEADRO C[C@H]1C[N@H+](CCCNCc2sc(N3CCOCC3)nc2Cl)CCCO1 ZINC000894567561 654487115 /nfs/dbraw/zinc/48/71/15/654487115.db2.gz UXLBLKHUTMCJCV-AWEZNQCLSA-N 1 0 388.965 2.224 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000906918065 654487325 /nfs/dbraw/zinc/48/73/25/654487325.db2.gz NSPYGZHYSUOKIH-ZDUSSCGKSA-N 1 0 385.306 2.021 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2nscc2I)C1 ZINC000906915604 654487378 /nfs/dbraw/zinc/48/73/78/654487378.db2.gz MBNKIKIMJKLRMZ-BDAKNGLRSA-N 1 0 379.267 2.350 20 0 GEADRO Cn1cc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c(I)n1 ZINC000894572912 654487449 /nfs/dbraw/zinc/48/74/49/654487449.db2.gz OPJQQWZNHDBQLB-ZDUSSCGKSA-N 1 0 383.233 2.377 20 0 GEADRO Cn1cc(Br)c(C(=O)OCC[N@H+](C)Cc2ccccc2)cc1=O ZINC000923946643 654492445 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COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)oc1Cl ZINC000906995712 654497417 /nfs/dbraw/zinc/49/74/17/654497417.db2.gz MSLCOGHNZRZOAW-LBPRGKRZSA-N 1 0 390.889 2.216 20 0 GEADRO CS(=O)(=O)C1CC([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1 ZINC000894783931 654498867 /nfs/dbraw/zinc/49/88/67/654498867.db2.gz GAGCFQQIMUCYCZ-SSHXOBKSSA-N 1 0 376.444 2.182 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907035849 654502261 /nfs/dbraw/zinc/50/22/61/654502261.db2.gz VWJIFTYWVAPDFY-LBPRGKRZSA-N 1 0 386.309 2.129 20 0 GEADRO OC[C@]1([C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C2CC2)CCCO1 ZINC000894866005 654502928 /nfs/dbraw/zinc/50/29/28/654502928.db2.gz CIPNJXXZXRHYDZ-YOEHRIQHSA-N 1 0 387.933 2.043 20 0 GEADRO C[C@@H](NC(=O)Cc1cc(Br)ccc1Cl)[C@@H]1CN(C)CCO1 ZINC000907071120 654507014 /nfs/dbraw/zinc/50/70/14/654507014.db2.gz NIZOGOZKNKEHNV-YGRLFVJLSA-N 1 0 375.694 2.480 20 0 GEADRO CO[C@H](C(=O)N[C@H](C)[C@H]1CN(C)CCO1)c1ccc(Br)s1 ZINC000907070410 654507046 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C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)n1 ZINC000924621153 654521827 /nfs/dbraw/zinc/52/18/27/654521827.db2.gz VKUULWHJZFLSOF-NSHDSACASA-N 1 0 384.299 2.385 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000907228227 654521963 /nfs/dbraw/zinc/52/19/63/654521963.db2.gz YAPRHQWNXKBSMO-UHFFFAOYSA-N 1 0 376.258 2.022 20 0 GEADRO CN(C)c1cc[nH+]c(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)c1 ZINC000924661328 654522104 /nfs/dbraw/zinc/52/21/04/654522104.db2.gz ASEILFQOTPOUIV-MRXNPFEDSA-N 1 0 393.285 2.443 20 0 GEADRO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924888030 654527862 /nfs/dbraw/zinc/52/78/62/654527862.db2.gz VOVWRWWFNKPLQL-WMLDXEAASA-N 1 0 378.270 2.453 20 0 GEADRO O=C1[C@@H]2Cc3c(Br)cccc3CN2C(=O)N1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924887296 654527880 /nfs/dbraw/zinc/52/78/80/654527880.db2.gz RZMIVKKXVNDWPQ-CJNGLKHVSA-N 1 0 390.281 2.375 20 0 GEADRO O=C(NCCC[NH2+][C@@H]1CCOC12CCOCC2)c1cccc(Br)c1 ZINC000924890475 654528250 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392.297 2.323 20 0 GEADRO O=C(NCC[NH2+][C@@H]1CCOC12CCOCC2)c1cccc(Br)c1 ZINC000925401674 654543999 /nfs/dbraw/zinc/54/39/99/654543999.db2.gz UZBVWYXVTTXOSN-OAHLLOKOSA-N 1 0 383.286 2.107 20 0 GEADRO C[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925530578 654545820 /nfs/dbraw/zinc/54/58/20/654545820.db2.gz FFCABZXVDZZPNS-NSHDSACASA-N 1 0 396.340 2.417 20 0 GEADRO CN(CC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)S(=O)(=O)c1cccs1 ZINC000925575011 654546336 /nfs/dbraw/zinc/54/63/36/654546336.db2.gz FBCMVFZZNALVEF-HOTGVXAUSA-N 1 0 382.555 2.103 20 0 GEADRO OC[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)Cc1cc(Br)ccc1F ZINC000925688826 654547979 /nfs/dbraw/zinc/54/79/79/654547979.db2.gz QJAYCZJOIGGBTE-HQQOITTOSA-N 1 0 383.305 2.325 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925688887 654547993 /nfs/dbraw/zinc/54/79/93/654547993.db2.gz RHMUZTUEJWTXNQ-CXAGYDPISA-N 1 0 383.330 2.483 20 0 GEADRO 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KKHLJBZKEXDJIS-VXGBXAGGSA-N 1 0 395.326 2.437 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)C1CCC([NH+]2CCOCC2)CC1 ZINC000908224482 654614443 /nfs/dbraw/zinc/61/44/43/654614443.db2.gz UJRIZTXOJHECOF-UHFFFAOYSA-N 1 0 399.333 2.043 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1C ZINC000927795715 654614986 /nfs/dbraw/zinc/61/49/86/654614986.db2.gz GOXGUGBGRZEUSN-UHFFFAOYSA-N 1 0 396.207 2.393 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000927814360 654615405 /nfs/dbraw/zinc/61/54/05/654615405.db2.gz WVTGXQJEILZBCN-MNOVXSKESA-N 1 0 375.416 2.251 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)ccc1Br ZINC000927815040 654615512 /nfs/dbraw/zinc/61/55/12/654615512.db2.gz FPDIDUGEZYAIDO-NEPJUHHUSA-N 1 0 398.301 2.147 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000927819150 654615702 /nfs/dbraw/zinc/61/57/02/654615702.db2.gz MXIFWKVIPJPCIL-RKDXNWHRSA-N 1 0 390.228 2.028 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000927828069 654616149 /nfs/dbraw/zinc/61/61/49/654616149.db2.gz RCJSVRIUMBIMJB-GHMZBOCLSA-N 1 0 386.265 2.278 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000927828961 654616253 /nfs/dbraw/zinc/61/62/53/654616253.db2.gz MXKMEATYQIJZNP-VXGBXAGGSA-N 1 0 398.301 2.148 20 0 GEADRO O=C(NCCCCCC1CC[NH2+]CC1)C(=O)Nc1cncc(Br)c1 ZINC000927837936 654616428 /nfs/dbraw/zinc/61/64/28/654616428.db2.gz FMDCQPROVWLDKC-UHFFFAOYSA-N 1 0 397.317 2.459 20 0 GEADRO Cc1sc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)nc1C(C)C ZINC000927841084 654616442 /nfs/dbraw/zinc/61/64/42/654616442.db2.gz GWAKIRYERKHAOX-UWVGGRQHSA-N 1 0 378.420 2.252 20 0 GEADRO Cc1sc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)nc1C(C)C ZINC000927841087 654616486 /nfs/dbraw/zinc/61/64/86/654616486.db2.gz GWAKIRYERKHAOX-VHSXEESVSA-N 1 0 378.420 2.252 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)F)C[C@H]1C(F)(F)F ZINC000927842168 654616742 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COc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1Br ZINC000927924693 654621786 /nfs/dbraw/zinc/62/17/86/654621786.db2.gz DNJOCIOLVATRLO-KRWDZBQOSA-N 1 0 396.285 2.141 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)NC2(Cc3ccccc3Br)CC2)C1 ZINC000908362250 654622953 /nfs/dbraw/zinc/62/29/53/654622953.db2.gz IESIBFJYZSMSPH-SFHVURJKSA-N 1 0 381.314 2.487 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(Cl)ccc1-n1cncn1 ZINC000928080875 654628909 /nfs/dbraw/zinc/62/89/09/654628909.db2.gz QTMNIHHQVGERTJ-ZBFHGGJFSA-N 1 0 377.901 2.230 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928085502 654629299 /nfs/dbraw/zinc/62/92/99/654629299.db2.gz IXYLRTFKATWMPO-STQMWFEESA-N 1 0 386.315 2.168 20 0 GEADRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928097793 654631060 /nfs/dbraw/zinc/63/10/60/654631060.db2.gz QLTFAFSRVSDLDL-FMKPAKJESA-N 1 0 381.567 2.199 20 0 GEADRO C[NH+](C)CCONC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC000908527798 654633116 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C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1SC(F)(F)F ZINC000911303585 654721718 /nfs/dbraw/zinc/72/17/18/654721718.db2.gz SICJTZHVGRATSI-ZYHUDNBSSA-N 1 0 375.416 2.029 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2SC(F)(F)F)C1 ZINC000911309516 654721994 /nfs/dbraw/zinc/72/19/94/654721994.db2.gz FIGCWSHOWZEWBQ-JQWIXIFHSA-N 1 0 375.416 2.158 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc3ccc(Br)cc3c2)C1 ZINC000911363707 654723324 /nfs/dbraw/zinc/72/33/24/654723324.db2.gz BOYFLOKFEMWOFW-YGUOUDRMSA-N 1 0 390.281 2.072 20 0 GEADRO C[C@]12CC[N@H+](C[C@H](O)C3(O)CCCC3)C[C@H]1C2(Br)Br ZINC000930926193 654723477 /nfs/dbraw/zinc/72/34/77/654723477.db2.gz QIFVQTXDGXBFRS-WOPDTQHZSA-N 1 0 397.151 2.480 20 0 GEADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000911426490 654723975 /nfs/dbraw/zinc/72/39/75/654723975.db2.gz FKSURLQLCYWUHG-UHFFFAOYSA-N 1 0 396.329 2.004 20 0 GEADRO Cc1cc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cnc1Br ZINC000930977358 654725555 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GEADRO O=C(NCCN1CC[NH2+]CC1)c1cc(-c2ccc(Br)cc2)ns1 ZINC000911694477 654729993 /nfs/dbraw/zinc/72/99/93/654729993.db2.gz ZTXXPFSCSAXJGM-UHFFFAOYSA-N 1 0 395.326 2.208 20 0 GEADRO Cc1c(C(=O)N2CCC[C@H](C[NH3+])C2)nnn1-c1ccccc1Br ZINC000911708243 654730170 /nfs/dbraw/zinc/73/01/70/654730170.db2.gz USFPRVCFMWFRME-GFCCVEGCSA-N 1 0 378.274 2.149 20 0 GEADRO CCCCS(=O)(=O)CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000931171779 654731635 /nfs/dbraw/zinc/73/16/35/654731635.db2.gz RCGPTWAZBSGZAH-UHFFFAOYSA-N 1 0 384.567 2.431 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)C1(O)CCOCC1)c1cc(F)c(Br)cc1F ZINC000931171975 654731655 /nfs/dbraw/zinc/73/16/55/654731655.db2.gz LZSYKHMPOVPEMI-LKFCYVNXSA-N 1 0 380.229 2.280 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)c1nscc1I ZINC000911919342 654736197 /nfs/dbraw/zinc/73/61/97/654736197.db2.gz AADALRACTREJJJ-UHFFFAOYSA-N 1 0 379.267 2.306 20 0 GEADRO O=C(Nc1ccc(I)cc1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911926069 654736411 /nfs/dbraw/zinc/73/64/11/654736411.db2.gz NQRBMZZXVKQKBI-CQSZACIVSA-N 1 0 385.205 2.128 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000911937040 654736618 /nfs/dbraw/zinc/73/66/18/654736618.db2.gz OJBCXOZRIZTZTQ-UHFFFAOYSA-N 1 0 385.295 2.099 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000911934990 654736640 /nfs/dbraw/zinc/73/66/40/654736640.db2.gz MLENNPIEIDEXSK-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)CSc2cccc(Br)c2)CC1 ZINC000911941596 654736896 /nfs/dbraw/zinc/73/68/96/654736896.db2.gz TVQUHCRKESRIOS-UHFFFAOYSA-N 1 0 387.343 2.456 20 0 GEADRO COc1ccc(C)cc1NC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911941016 654736939 /nfs/dbraw/zinc/73/69/39/654736939.db2.gz ZAGFNDFAPGLBNY-UHFFFAOYSA-N 1 0 380.242 2.139 20 0 GEADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287516 654737255 /nfs/dbraw/zinc/73/72/55/654737255.db2.gz ZNHIBDKPBPCXJS-QGZVFWFLSA-N 1 0 396.329 2.162 20 0 GEADRO CCOC(=O)CSc1nnc(NC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)s1 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GEADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC000931913769 654761637 /nfs/dbraw/zinc/76/16/37/654761637.db2.gz HFWNZNHDBDVNAQ-UHFFFAOYSA-N 1 0 381.889 2.437 20 0 GEADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c[nH]nc1I ZINC000912649571 654762125 /nfs/dbraw/zinc/76/21/25/654762125.db2.gz WOVXCJWEZLMDOY-QWRGUYRKSA-N 1 0 390.269 2.349 20 0 GEADRO Cc1nc([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)no1 ZINC000931951422 654762381 /nfs/dbraw/zinc/76/23/81/654762381.db2.gz ZKPMORARHQOJAI-TZMCWYRMSA-N 1 0 382.258 2.370 20 0 GEADRO C[NH+](C)CCOc1ccc(C=CC(=O)NCc2n[nH]cc2Br)cc1 ZINC000931986964 654763287 /nfs/dbraw/zinc/76/32/87/654763287.db2.gz AMWNTGOASTZWGA-VMPITWQZSA-N 1 0 393.285 2.442 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932208287 654770142 /nfs/dbraw/zinc/77/01/42/654770142.db2.gz AWIQRQUIUJMYQK-OAHLLOKOSA-N 1 0 382.302 2.026 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932211983 654770636 /nfs/dbraw/zinc/77/06/36/654770636.db2.gz KOIZECNQDZJTQR-MRXNPFEDSA-N 1 0 396.329 2.463 20 0 GEADRO CC1(C)NC(=O)N(CC[NH2+][C@@H]2CCOc3ccc(Br)cc32)C1=O ZINC000932212705 654770666 /nfs/dbraw/zinc/77/06/66/654770666.db2.gz YYFJGIVOQKDMEH-GFCCVEGCSA-N 1 0 382.258 2.193 20 0 GEADRO C[NH+](C)CCc1ccc(C(=O)Nc2n[nH]cc2I)cc1 ZINC000912887159 654772953 /nfs/dbraw/zinc/77/29/53/654772953.db2.gz RQXCHELPBSETJZ-UHFFFAOYSA-N 1 0 384.221 2.371 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1n[nH]cc1I ZINC000912889310 654773607 /nfs/dbraw/zinc/77/36/07/654773607.db2.gz XSBDXLZJWBLOSI-UHFFFAOYSA-N 1 0 382.271 2.028 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000912938027 654774717 /nfs/dbraw/zinc/77/47/17/654774717.db2.gz UWGYTQMOAUBRNI-OAHLLOKOSA-N 1 0 388.917 2.426 20 0 GEADRO C[NH+](C)CCC1CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000932720153 654786624 /nfs/dbraw/zinc/78/66/24/654786624.db2.gz SPYBHGOVDJUKFN-UHFFFAOYSA-N 1 0 380.290 2.296 20 0 GEADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000932727826 654787626 /nfs/dbraw/zinc/78/76/26/654787626.db2.gz YBVRKHNPBPCYIB-UHFFFAOYSA-N 1 0 395.345 2.479 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000913335255 654788954 /nfs/dbraw/zinc/78/89/54/654788954.db2.gz PHFIDXPCZMLAMS-RDJZCZTQSA-N 1 0 375.296 2.380 20 0 GEADRO Cc1ncc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1Br ZINC000932786766 654790432 /nfs/dbraw/zinc/79/04/32/654790432.db2.gz WXRITMVWJWQPIC-CHWSQXEVSA-N 1 0 383.290 2.446 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000932791907 654790720 /nfs/dbraw/zinc/79/07/20/654790720.db2.gz CZTKQUVVEQXOAC-SMDDNHRTSA-N 1 0 380.286 2.285 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000932791905 654790741 /nfs/dbraw/zinc/79/07/41/654790741.db2.gz CZTKQUVVEQXOAC-FZMZJTMJSA-N 1 0 380.286 2.285 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000913412454 654791035 /nfs/dbraw/zinc/79/10/35/654791035.db2.gz VHYZOGOAUCDKCZ-UHFFFAOYSA-N 1 0 392.352 2.396 20 0 GEADRO COc1cc(Br)cc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000932913295 654794183 /nfs/dbraw/zinc/79/41/83/654794183.db2.gz JSXIVDBZKFUJMI-INIZCTEOSA-N 1 0 396.329 2.310 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cnc(OC)c(Br)c2C)C1 ZINC000932947158 654795794 /nfs/dbraw/zinc/79/57/94/654795794.db2.gz ZECBPAPPOGRUMI-NSHDSACASA-N 1 0 387.278 2.003 20 0 GEADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000913537556 654797394 /nfs/dbraw/zinc/79/73/94/654797394.db2.gz JQUKIKTWVLZJGF-HZSPNIEDSA-N 1 0 392.297 2.107 20 0 GEADRO NS(=O)(=O)C[C@@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000932959774 654798259 /nfs/dbraw/zinc/79/82/59/654798259.db2.gz HGVXXHXVLLMELA-CYBMUJFWSA-N 1 0 380.432 2.475 20 0 GEADRO O=C(NC12CC[NH+](CC1)C2)c1cc(F)c(F)cc1I ZINC000913630958 654802167 /nfs/dbraw/zinc/80/21/67/654802167.db2.gz IKCUFLPBKRVBHC-UHFFFAOYSA-N 1 0 378.160 2.147 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000913652818 654802869 /nfs/dbraw/zinc/80/28/69/654802869.db2.gz IUUZBMLETSCUDK-DZOHQFGASA-N 1 0 379.298 2.050 20 0 GEADRO Cc1cc2c(cc1Br)CN(CC(=O)NC1CC[NH+](C)CC1)CC2 ZINC000933127627 654803285 /nfs/dbraw/zinc/80/32/85/654803285.db2.gz FUXGTXMOKQFYEN-UHFFFAOYSA-N 1 0 380.330 2.326 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000913677520 654803770 /nfs/dbraw/zinc/80/37/70/654803770.db2.gz SPGRUZDLUJBFPL-CQSZACIVSA-N 1 0 397.313 2.230 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913677731 654803795 /nfs/dbraw/zinc/80/37/95/654803795.db2.gz CEXJKKYFUXYQGG-UHFFFAOYSA-N 1 0 379.498 2.224 20 0 GEADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000933164289 654803851 /nfs/dbraw/zinc/80/38/51/654803851.db2.gz JIBXJOVHCJHYNH-ZDUSSCGKSA-N 1 0 382.302 2.383 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913679875 654803956 /nfs/dbraw/zinc/80/39/56/654803956.db2.gz VGNJCGOKLRHSKU-ZDUSSCGKSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913680535 654803982 /nfs/dbraw/zinc/80/39/82/654803982.db2.gz UQCIJKJWUMJKMS-CYBMUJFWSA-N 1 0 385.302 2.132 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC000913681176 654804029 /nfs/dbraw/zinc/80/40/29/654804029.db2.gz UKHVMAPWBKZKGT-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000913682413 654804212 /nfs/dbraw/zinc/80/42/12/654804212.db2.gz GEXGAIDNFHZKOD-UHFFFAOYSA-N 1 0 385.302 2.133 20 0 GEADRO O=C(Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)C12CC[NH+](CC1)C2 ZINC000913688951 654804329 /nfs/dbraw/zinc/80/43/29/654804329.db2.gz RRJFBZKXZNBQQQ-CYBMUJFWSA-N 1 0 394.313 2.302 20 0 GEADRO COC[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000913764287 654808293 /nfs/dbraw/zinc/80/82/93/654808293.db2.gz JRLMGUABFAHLTA-WBVHZDCISA-N 1 0 385.302 2.100 20 0 GEADRO COc1ccc(C[C@](C)(CO)[NH2+]C[C@@H](O)c2cc(Br)no2)cc1 ZINC000933431394 654812716 /nfs/dbraw/zinc/81/27/16/654812716.db2.gz ULRYACWLMZGEAE-CZUORRHYSA-N 1 0 385.258 2.062 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1ccc(OC(F)(F)F)cc1 ZINC000913876784 654812864 /nfs/dbraw/zinc/81/28/64/654812864.db2.gz LMJVNNJKGLSTLF-HNNXBMFYSA-N 1 0 378.416 2.491 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1nccs1 ZINC000933436996 654812957 /nfs/dbraw/zinc/81/29/57/654812957.db2.gz KAQKFKQLDMNQKW-OAHLLOKOSA-N 1 0 384.299 2.427 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000933437641 654813188 /nfs/dbraw/zinc/81/31/88/654813188.db2.gz AVWTVGFUNGGGKN-GDBMZVCRSA-N 1 0 390.343 2.157 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000933437644 654813216 /nfs/dbraw/zinc/81/32/16/654813216.db2.gz AVWTVGFUNGGGKN-ZBFHGGJFSA-N 1 0 390.343 2.157 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000933438829 654813323 /nfs/dbraw/zinc/81/33/23/654813323.db2.gz GCGIMLIDARMRCZ-SJORKVTESA-N 1 0 386.330 2.388 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1F ZINC000913912405 654815569 /nfs/dbraw/zinc/81/55/69/654815569.db2.gz BDNZJKBRRAIXNN-UHFFFAOYSA-N 1 0 395.294 2.312 20 0 GEADRO Cn1cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(Br)n1 ZINC000913948623 654817982 /nfs/dbraw/zinc/81/79/82/654817982.db2.gz NFSDKJRCPNODNO-CQSZACIVSA-N 1 0 380.290 2.285 20 0 GEADRO O=C(CC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000933722739 654821214 /nfs/dbraw/zinc/82/12/14/654821214.db2.gz CVUPYXQPKIODHB-PHIMTYICSA-N 1 0 377.293 2.298 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1F ZINC000914065701 654824388 /nfs/dbraw/zinc/82/43/88/654824388.db2.gz CIZCZAMSDAUSAM-SNVBAGLBSA-N 1 0 395.294 2.169 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740069 654824587 /nfs/dbraw/zinc/82/45/87/654824587.db2.gz OURLMTAQOKTVKM-BLLLJJGKSA-N 1 0 386.359 2.353 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2cccc(F)c2Br)CC[N@@H+]1C ZINC000914185288 654833591 /nfs/dbraw/zinc/83/35/91/654833591.db2.gz AZJFHJKPXFFZLP-CMPLNLGQSA-N 1 0 379.295 2.490 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(Br)cc1F ZINC000934122525 654836551 /nfs/dbraw/zinc/83/65/51/654836551.db2.gz DKMOKESEUZRHPF-UHFFFAOYSA-N 1 0 388.281 2.005 20 0 GEADRO C[C@H](Cc1cccnc1)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000934236162 654839325 /nfs/dbraw/zinc/83/93/25/654839325.db2.gz MFQNIPYVYOLBSK-GFCCVEGCSA-N 1 0 381.885 2.298 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000914259908 654839541 /nfs/dbraw/zinc/83/95/41/654839541.db2.gz FFZSXZVGIHJFQF-MJBXVCDLSA-N 1 0 381.464 2.319 20 0 GEADRO Cc1c(Br)cncc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000934247430 654839610 /nfs/dbraw/zinc/83/96/10/654839610.db2.gz KAUSJAUDEYQVOV-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO Cc1c(Br)cncc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000934250047 654839784 /nfs/dbraw/zinc/83/97/84/654839784.db2.gz OLRZYZMZTKDQGJ-UHFFFAOYSA-N 1 0 384.322 2.302 20 0 GEADRO O=C(CC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO)Nc1ccc(Br)cc1 ZINC000934259662 654840536 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C[C@@](CO)([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000934496960 654851244 /nfs/dbraw/zinc/85/12/44/654851244.db2.gz FLNKGGKGDFJIOH-AEFFLSMTSA-N 1 0 397.313 2.026 20 0 GEADRO C[C@@](CO)([NH2+]C[C@H](O)COCc1ccco1)c1cccc(Br)c1 ZINC000934497858 654851465 /nfs/dbraw/zinc/85/14/65/654851465.db2.gz QXJTZADOVAUFEL-RDJZCZTQSA-N 1 0 384.270 2.417 20 0 GEADRO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000934626713 654854461 /nfs/dbraw/zinc/85/44/61/654854461.db2.gz QOQRNKDKMUYNOW-IUODEOHRSA-N 1 0 385.917 2.473 20 0 GEADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000914444388 654854746 /nfs/dbraw/zinc/85/47/46/654854746.db2.gz USCFKZIAMSYHLX-GJZGRUSLSA-N 1 0 387.571 2.138 20 0 GEADRO COc1cc(Br)cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000934724787 654856285 /nfs/dbraw/zinc/85/62/85/654856285.db2.gz GVJFHHQSAHFKIE-OAHLLOKOSA-N 1 0 383.286 2.441 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC[NH+]1CCCCCC1 ZINC000914795918 654857723 /nfs/dbraw/zinc/85/77/23/654857723.db2.gz MPIKOVLMKJZJCL-OAHLLOKOSA-N 1 0 388.965 2.170 20 0 GEADRO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934777822 654858937 /nfs/dbraw/zinc/85/89/37/654858937.db2.gz FGYAGATZAWXYTR-ACJLOTCBSA-N 1 0 381.929 2.422 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(F)c(Cl)c(C(=O)OC)c1 ZINC000934778222 654859301 /nfs/dbraw/zinc/85/93/01/654859301.db2.gz MDXFTJLDISTJAW-UHFFFAOYSA-N 1 0 375.828 2.308 20 0 GEADRO CC(C)OCC[C@H](O)C[NH2+][C@H](CO)c1ccccc1I ZINC000934828767 654862464 /nfs/dbraw/zinc/86/24/64/654862464.db2.gz STFBVLPJXMIESI-SWLSCSKDSA-N 1 0 393.265 2.090 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc2c(Br)cnn2c1 ZINC000934955557 654868002 /nfs/dbraw/zinc/86/80/02/654868002.db2.gz VYSMRKNGXNBMTO-AWEZNQCLSA-N 1 0 395.301 2.064 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cnc1Br ZINC000935017166 654871342 /nfs/dbraw/zinc/87/13/42/654871342.db2.gz KWMSBBIGCLZOQF-RBSFLKMASA-N 1 0 382.302 2.476 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000935089922 654875186 /nfs/dbraw/zinc/87/51/86/654875186.db2.gz MKTVHAPUBSBJJN-LOWVWBTDSA-N 1 0 380.286 2.426 20 0 GEADRO CS[C@@H]1CN(C(=O)C2(n3cc(Br)cn3)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000935368084 654889903 /nfs/dbraw/zinc/88/99/03/654889903.db2.gz QANZGZKBVSVYPQ-UONOGXRCSA-N 1 0 399.358 2.173 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(F)cc(Br)c1F ZINC000935446376 654894007 /nfs/dbraw/zinc/89/40/07/654894007.db2.gz SYTWFKKQRACRDM-NSHDSACASA-N 1 0 390.272 2.483 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)cn2ncnc12 ZINC000935593296 654902999 /nfs/dbraw/zinc/90/29/99/654902999.db2.gz WZHHUKSDHJDILX-UHFFFAOYSA-N 1 0 380.290 2.440 20 0 GEADRO C[NH+]1CCC(OCC(=O)N2CCOc3c(Br)cccc3C2)CC1 ZINC000935737538 654913817 /nfs/dbraw/zinc/91/38/17/654913817.db2.gz SLWJGDFQEXZZLL-UHFFFAOYSA-N 1 0 383.286 2.281 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1nc(C(C)C)ncc1Br ZINC000935779114 654916105 /nfs/dbraw/zinc/91/61/05/654916105.db2.gz 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OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164405161 718853607 /nfs/dbraw/zinc/85/36/07/718853607.db2.gz LHGNLXNXBOTJSC-YOEHRIQHSA-N 1 0 380.826 2.360 20 0 GEADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164401572 718853744 /nfs/dbraw/zinc/85/37/44/718853744.db2.gz BYFXXDKMXFZFRK-BMIGLBTASA-N 1 0 386.855 2.422 20 0 GEADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164408480 718864983 /nfs/dbraw/zinc/86/49/83/718864983.db2.gz MDNDESKEEUGXRR-VXGBXAGGSA-N 1 0 385.802 2.145 20 0 GEADRO CCOC(=O)[C@@]12CCO[C@@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164433074 718978213 /nfs/dbraw/zinc/97/82/13/718978213.db2.gz JJFDZCWGYZHORI-DYESRHJHSA-N 1 0 389.496 2.105 20 0 GEADRO C(c1nc2sc3c(c2c(N2CCC[C@@H]4[NH2+]C[C@H]42)n1)CCCC3)N1CCOCC1 ZINC001164450244 718999737 /nfs/dbraw/zinc/99/97/37/718999737.db2.gz SSYWKALLXKRQKI-JKSUJKDBSA-N 1 0 399.564 2.343 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(SC)ncc3OC)CC2)CC1 ZINC001164613813 719022344 /nfs/dbraw/zinc/02/23/44/719022344.db2.gz FURBUOBUZOUAIA-UHFFFAOYSA-N 1 0 394.541 2.451 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)nc(OC)c3C)CC2)CC1 ZINC001164617535 719034595 /nfs/dbraw/zinc/03/45/95/719034595.db2.gz LORXTEHYNDAZJP-UHFFFAOYSA-N 1 0 376.501 2.346 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164631087 719136338 /nfs/dbraw/zinc/13/63/38/719136338.db2.gz NCHYXRFLZFHBIS-CQSZACIVSA-N 1 0 382.798 2.293 20 0 GEADRO C[N@H+](Cc1ccc(N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)nc1)C1CC1 ZINC001164656918 719305210 /nfs/dbraw/zinc/30/52/10/719305210.db2.gz ZIHGZKGPLAIPLM-KPLVRAHFSA-N 1 0 384.524 2.282 20 0 GEADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2SCC3)c2c1CC[NH2+]C2 ZINC001164682390 719616271 /nfs/dbraw/zinc/61/62/71/719616271.db2.gz CTHXVCKCKPVOKL-UHFFFAOYSA-N 1 0 378.933 2.450 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164682387 719715972 /nfs/dbraw/zinc/71/59/72/719715972.db2.gz DOISISCAZAWKGU-UHFFFAOYSA-N 1 0 377.920 2.190 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164690043 719744627 /nfs/dbraw/zinc/74/46/27/719744627.db2.gz QQASTBOYLATFAW-UHFFFAOYSA-N 1 0 383.496 2.128 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(Cl)c(C(N)=O)n1)C2 ZINC001164811746 720079499 /nfs/dbraw/zinc/07/94/99/720079499.db2.gz PNLNDMOSDULUGX-KUHUBIRLSA-N 1 0 378.904 2.019 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)OC)c(OC)n1)C2 ZINC001164811694 720080639 /nfs/dbraw/zinc/08/06/39/720080639.db2.gz PHXFCMPJJLKPHA-IERDGZPVSA-N 1 0 389.496 2.062 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)OC)c(F)cn1)C2 ZINC001164805890 720096209 /nfs/dbraw/zinc/09/62/09/720096209.db2.gz AKAASIYCFHWFBY-MGPUTAFESA-N 1 0 377.460 2.192 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)OC)c(F)cn1)C2 ZINC001164805892 720097378 /nfs/dbraw/zinc/09/73/78/720097378.db2.gz AKAASIYCFHWFBY-YWZLYKJASA-N 1 0 377.460 2.192 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1ncn3C)C2 ZINC001164811347 720100950 /nfs/dbraw/zinc/10/09/50/720100950.db2.gz NXAJZCDHZYVAME-AUUYWEPGSA-N 1 0 390.919 2.201 20 0 GEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(OC)n1)CC2 ZINC001164710039 720102680 /nfs/dbraw/zinc/10/26/80/720102680.db2.gz GDHCAFDKDDSYCM-GOSISDBHSA-N 1 0 383.496 2.388 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc(=O)n(C)c3n1)C2 ZINC001164816187 720119988 /nfs/dbraw/zinc/11/99/88/720119988.db2.gz YHMNQHPYUCSJKF-PGRDOPGGSA-N 1 0 382.508 2.118 20 0 GEADRO CCOC(=O)c1c(C)ncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164816147 720120849 /nfs/dbraw/zinc/12/08/49/720120849.db2.gz XUASPXFTPNNNQM-UTKZUKDTSA-N 1 0 388.512 2.146 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(N(C)C)n1)C2 ZINC001164811617 720123257 /nfs/dbraw/zinc/12/32/57/720123257.db2.gz MZLAUJHUTKUHJN-BEFAXECRSA-N 1 0 379.936 2.381 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)NC3CC3)cn1)C2 ZINC001164816233 720124868 /nfs/dbraw/zinc/12/48/68/720124868.db2.gz YOWLSVXEDNRLSN-AVRDEDQJSA-N 1 0 384.524 2.159 20 0 GEADRO CCOC(=O)c1ncnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1C ZINC001164808650 720125695 /nfs/dbraw/zinc/12/56/95/720125695.db2.gz FWNHFOPPXJCXCU-UWJYYQICSA-N 1 0 388.512 2.146 20 0 GEADRO Cc1cc(Cl)cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164712929 720168050 /nfs/dbraw/zinc/16/80/50/720168050.db2.gz IPQONKOLGCZMRS-KRWDZBQOSA-N 1 0 390.919 2.388 20 0 GEADRO Cn1nnc2c1CCN(c1nccc(C(C)(C)C)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719194 720177557 /nfs/dbraw/zinc/17/75/57/720177557.db2.gz UFAXREZAHHFGGS-KRWDZBQOSA-N 1 0 399.543 2.119 20 0 GEADRO Cn1nnc2c1CCN(c1nccc3scnc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717669 720184721 /nfs/dbraw/zinc/18/47/21/720184721.db2.gz LFRRLLYRKPIJFQ-OAHLLOKOSA-N 1 0 399.524 2.036 20 0 GEADRO Cc1cc2c(ccnc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)o1 ZINC001164717164 720198890 /nfs/dbraw/zinc/19/88/90/720198890.db2.gz TXCSLSASYFGTAB-GOSISDBHSA-N 1 0 396.495 2.481 20 0 GEADRO 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FPRJOQGTJLIKRC-CABCVRRESA-N 1 0 383.887 2.370 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nnc(Cl)c5cccnc54)C[C@H]3C2)cn1 ZINC001164773779 721136716 /nfs/dbraw/zinc/13/67/16/721136716.db2.gz YXMDIRQODCVLDU-HUUCEWRRSA-N 1 0 383.887 2.370 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5cc(Cl)cnc54)C[C@H]3C2)cn1 ZINC001164769971 721153196 /nfs/dbraw/zinc/15/31/96/721153196.db2.gz QUZFSPGIQBWNDU-LSDHHAIUSA-N 1 0 383.887 2.370 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(N5CCCCC5)n4)C[C@H]3C2)cn1 ZINC001164764204 721162761 /nfs/dbraw/zinc/16/27/61/721162761.db2.gz HKCPOKBHECNENR-RTBURBONSA-N 1 0 381.528 2.159 20 0 GEADRO c1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)nc1 ZINC001164872561 721163048 /nfs/dbraw/zinc/16/30/48/721163048.db2.gz HPVSIISBAGEYJK-RTBURBONSA-N 1 0 388.475 2.413 20 0 GEADRO CCOC(=O)/C=C\c1ccc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164772724 721164484 /nfs/dbraw/zinc/16/44/84/721164484.db2.gz VRSDGEHJWNCGDN-OPCATCLCSA-N 1 0 395.507 2.350 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C(=O)N5CCCC5)ccn4)C[C@@H]3C2)cn1 ZINC001164762054 721170082 /nfs/dbraw/zinc/17/00/82/721170082.db2.gz CEWRBGPEZWRURW-PMACEKPBSA-N 1 0 394.523 2.009 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(-c5cccnc5F)n4)C[C@H]3C2)cn1 ZINC001164772902 721170177 /nfs/dbraw/zinc/17/01/77/721170177.db2.gz VYUWMARJHGIMCZ-IAGOWNOFSA-N 1 0 393.470 2.370 20 0 GEADRO COc1cccc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c21 ZINC001164770152 721206434 /nfs/dbraw/zinc/20/64/34/721206434.db2.gz NROONAANNREDGV-IRXDYDNUSA-N 1 0 378.480 2.330 20 0 GEADRO c1cc2nc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc(N3CCOCC3)c2s1 ZINC001164767148 721282932 /nfs/dbraw/zinc/28/29/32/721282932.db2.gz GYCZQZQVQLPBDV-UHFFFAOYSA-N 1 0 385.537 2.450 20 0 GEADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC3(C2)CC[N@H+](CC2CC2)C3)C1=O ZINC001164770287 721295078 /nfs/dbraw/zinc/29/50/78/721295078.db2.gz QQSTWYHZFMBVLE-UHFFFAOYSA-N 1 0 375.904 2.416 20 0 GEADRO C[NH+](C)Cc1ccnc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)c1 ZINC001164873491 721329536 /nfs/dbraw/zinc/32/95/36/721329536.db2.gz CRLSKHNYNNCKQE-KRWDZBQOSA-N 1 0 391.479 2.459 20 0 GEADRO C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)n2)CC1 ZINC001164881291 721357002 /nfs/dbraw/zinc/35/70/02/721357002.db2.gz AZSYDDLEVGNPJB-DLBZAZTESA-N 1 0 383.521 2.279 20 0 GEADRO Cc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889333 721377774 /nfs/dbraw/zinc/37/77/74/721377774.db2.gz LSCORRBDOWHUDK-QFBILLFUSA-N 1 0 379.936 2.204 20 0 GEADRO Cc1nnc(Cl)cc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164889317 721395196 /nfs/dbraw/zinc/39/51/96/721395196.db2.gz LRLDECMDDCLXHN-VQIMIIECSA-N 1 0 379.936 2.204 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5cccnc5n4)C3)O2)CC1 ZINC001164884053 721406697 /nfs/dbraw/zinc/40/66/97/721406697.db2.gz DACSZNDZCPBEGD-SIKLNZKXSA-N 1 0 381.524 2.395 20 0 GEADRO O=c1cc2[nH]c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c(Cl)cc-2[nH]1 ZINC001164785461 721411822 /nfs/dbraw/zinc/41/18/22/721411822.db2.gz MLUNBHOKBGSETL-GHMZBOCLSA-N 1 0 375.885 2.254 20 0 GEADRO Clc1cc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164785470 721423124 /nfs/dbraw/zinc/42/31/24/721423124.db2.gz MQLBIAGLCZDESI-STQMWFEESA-N 1 0 375.929 2.405 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc5ncsc54)C3)O2)CC1 ZINC001164890737 721426165 /nfs/dbraw/zinc/42/61/65/721426165.db2.gz DRTSBQNAPMDAQK-OXJNMPFZSA-N 1 0 387.553 2.457 20 0 GEADRO CC(C)Oc1cncc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164896432 721437316 /nfs/dbraw/zinc/43/73/16/721437316.db2.gz RIHLJMJVFXRTDS-GHTZIAJQSA-N 1 0 389.544 2.029 20 0 GEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(Cl)c(N)n4)C3)O2)CC1 ZINC001164891054 721450526 /nfs/dbraw/zinc/45/05/26/721450526.db2.gz TZMIQHONBHASOY-BEFAXECRSA-N 1 0 379.936 2.083 20 0 GEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(F)c4ccccc42)CC3)CC1 ZINC001164794168 721514771 /nfs/dbraw/zinc/51/47/71/721514771.db2.gz INYDLAJFFDZKBJ-UHFFFAOYSA-N 1 0 380.471 2.338 20 0 GEADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(F)c1 ZINC001164904135 721528525 /nfs/dbraw/zinc/52/85/25/721528525.db2.gz FKMOPEUEQFEWOB-DOTOQJQBSA-N 1 0 389.402 2.488 20 0 GEADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cccc(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164909268 721547160 /nfs/dbraw/zinc/54/71/60/721547160.db2.gz RCVZSPZWZPBMLD-AZUAARDMSA-N 1 0 398.482 2.399 20 0 GEADRO COCc1nc(OC)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907222 721565320 /nfs/dbraw/zinc/56/53/20/721565320.db2.gz MUBJNMUQFZZUII-NVXWUHKLSA-N 1 0 388.443 2.113 20 0 GEADRO CCOc1c(Cl)ncnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011130 721739208 /nfs/dbraw/zinc/73/92/08/721739208.db2.gz MNOLOXQXTMUCNX-UHFFFAOYSA-N 1 0 381.908 2.052 20 0 GEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccnc(-c3cccnc3)n2)CC1 ZINC001165011564 721740576 /nfs/dbraw/zinc/74/05/76/721740576.db2.gz QMBJPJKXVUKHOO-UHFFFAOYSA-N 1 0 380.496 2.062 20 0 GEADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[NH+](C3CCCC3)CC2)n1C ZINC001165032590 721858974 /nfs/dbraw/zinc/85/89/74/721858974.db2.gz RYUHNXMWJMZIBP-UHFFFAOYSA-N 1 0 377.876 2.473 20 0 GEADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC000520307907 721860693 /nfs/dbraw/zinc/86/06/93/721860693.db2.gz LCUPHYXJTHVALO-UHFFFAOYSA-N 1 0 380.558 2.471 20 0 GEADRO CCOC(=O)c1cc2ncnc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2s1 ZINC001164924903 721872275 /nfs/dbraw/zinc/87/22/75/721872275.db2.gz LVAYYZPKPDSEMY-LSDHHAIUSA-N 1 0 389.525 2.083 20 0 GEADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCNC(=O)[C@H]2CC(=O)OCC)nc1 ZINC001165035808 721876126 /nfs/dbraw/zinc/87/61/26/721876126.db2.gz XBSHSZSMYOSCHU-ZWKOTPCHSA-N 1 0 388.512 2.277 20 0 GEADRO CC1CCN(C(=O)c2ccc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)nc2)CC1 ZINC001164933790 721878332 /nfs/dbraw/zinc/87/83/32/721878332.db2.gz NUNIYYXUCVRSSC-VQTJNVASSA-N 1 0 385.556 2.168 20 0 GEADRO COC(=O)c1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)c2ccccc2c1OC ZINC001164931441 721884670 /nfs/dbraw/zinc/88/46/70/721884670.db2.gz FGVHQMBGFVPSND-QZTJIDSGSA-N 1 0 398.507 2.245 20 0 GEADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001164948581 721955594 /nfs/dbraw/zinc/95/55/94/721955594.db2.gz RMBKBTCZOCSUNE-SFTDATJTSA-N 1 0 397.523 2.372 20 0 GEADRO CCOC(=O)c1cc2ccnc(N3CC[NH+](CCc4ccccn4)CC3)c2[nH]1 ZINC001165054270 722011496 /nfs/dbraw/zinc/01/14/96/722011496.db2.gz VNMWOQYNVZPQMB-UHFFFAOYSA-N 1 0 379.464 2.499 20 0 GEADRO O=c1ccccn1Cc1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1 ZINC001165054911 722017603 /nfs/dbraw/zinc/01/76/03/722017603.db2.gz JJBWAHKDWQNLCY-UHFFFAOYSA-N 1 0 375.476 2.051 20 0 GEADRO O=C1COc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2N1 ZINC001164952175 722018914 /nfs/dbraw/zinc/01/89/14/722018914.db2.gz IOEGAPAVPJQNGQ-UHFFFAOYSA-N 1 0 379.464 2.300 20 0 GEADRO Cc1noc(C[C@@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3O2)n1 ZINC001164959581 722041653 /nfs/dbraw/zinc/04/16/53/722041653.db2.gz ILJFTMSLOJJXKL-OKZBNKHCSA-N 1 0 399.495 2.084 20 0 GEADRO Cc1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C(N)=O ZINC001164964880 722055246 /nfs/dbraw/zinc/05/52/46/722055246.db2.gz YZKIXMBWCLLMRN-UHFFFAOYSA-N 1 0 395.507 2.003 20 0 GEADRO COCc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164966738 722061883 /nfs/dbraw/zinc/06/18/83/722061883.db2.gz XRWLLPSUALVMNO-UHFFFAOYSA-N 1 0 383.496 2.137 20 0 GEADRO c1nc2c(ncnc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1-c1ccccc1 ZINC001164967434 722076740 /nfs/dbraw/zinc/07/67/40/722076740.db2.gz FUNAIMYRFARMTB-HDICACEKSA-N 1 0 376.464 2.115 20 0 GEADRO Cc1nc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2n1C ZINC001164983194 722118433 /nfs/dbraw/zinc/11/84/33/722118433.db2.gz YKWZRIHICHNVLS-QUCCMNQESA-N 1 0 392.507 2.399 20 0 GEADRO COCOc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164977342 722120657 /nfs/dbraw/zinc/12/06/57/722120657.db2.gz MQVWWCWNHSCRNX-UYAOXDASSA-N 1 0 384.480 2.187 20 0 GEADRO Cc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2[nH]1 ZINC001164978291 722126636 /nfs/dbraw/zinc/12/66/36/722126636.db2.gz OHXQPYIJUKQCAD-IEBWSBKVSA-N 1 0 378.480 2.389 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cnc5c(n4)CCCC5)CC[C@@H]3C2)c1 ZINC001164972238 722151982 /nfs/dbraw/zinc/15/19/82/722151982.db2.gz HMIUFJOTFXYRMK-NQIIRXRSSA-N 1 0 379.508 2.478 20 0 GEADRO COc1nc(C)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164973020 722152761 /nfs/dbraw/zinc/15/27/61/722152761.db2.gz JZVJDMDIDZQFQM-OALUTQOASA-N 1 0 383.496 2.224 20 0 GEADRO COc1nc(C)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164973019 722152902 /nfs/dbraw/zinc/15/29/02/722152902.db2.gz JZVJDMDIDZQFQM-MOPGFXCFSA-N 1 0 383.496 2.224 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3nc[nH]c3cc1Cl)CCC2 ZINC001165002589 722254528 /nfs/dbraw/zinc/25/45/28/722254528.db2.gz QZTOBQSOHSZYKY-UHFFFAOYSA-N 1 0 389.891 2.296 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3ccc(Cl)nc3[nH]1)CCC2 ZINC001165001885 722255436 /nfs/dbraw/zinc/25/54/36/722255436.db2.gz IBYOLBSEQYQKOH-UHFFFAOYSA-N 1 0 389.891 2.296 20 0 GEADRO Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000475438313 531296844 /nfs/dbraw/zinc/29/68/44/531296844.db2.gz BQNBUQZRSYWHRO-UHFFFAOYSA-N 1 0 391.273 2.416 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(Cl)c(Cl)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000151779120 531519457 /nfs/dbraw/zinc/51/94/57/531519457.db2.gz JMJPOSGBBJKKHN-LLVKDONJSA-N 1 0 396.340 2.293 20 0 GEADRO Cc1ccc(Br)c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000151669366 531514223 /nfs/dbraw/zinc/51/42/23/531514223.db2.gz ADGFDJQQDYZVKP-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000151698294 531514888 /nfs/dbraw/zinc/51/48/88/531514888.db2.gz YSQHDRMRNMBXHE-AWEZNQCLSA-N 1 0 398.345 2.384 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000151718817 531516655 /nfs/dbraw/zinc/51/66/55/531516655.db2.gz PRXVUCMCGMFYIE-AWEZNQCLSA-N 1 0 376.284 2.405 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccncc1Br ZINC000151412917 531501010 /nfs/dbraw/zinc/50/10/10/531501010.db2.gz NOOCKLDTEARLRT-UHFFFAOYSA-N 1 0 386.290 2.190 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000151435152 531502037 /nfs/dbraw/zinc/50/20/37/531502037.db2.gz CAVCMZWSGLXSOC-OAHLLOKOSA-N 1 0 395.301 2.219 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)NCc2ccc(O)c(Br)c2)cn1 ZINC000151457870 531502127 /nfs/dbraw/zinc/50/21/27/531502127.db2.gz UOWQFCRBDDCMSM-UHFFFAOYSA-N 1 0 382.262 2.235 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151945657 531524272 /nfs/dbraw/zinc/52/42/72/531524272.db2.gz HKRLRLXSHQAKKL-CMPLNLGQSA-N 1 0 396.285 2.138 20 0 GEADRO C[C@@H](CC(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000152467479 531553709 /nfs/dbraw/zinc/55/37/09/531553709.db2.gz ACDYPJASPQFKIR-ZFWWWQNUSA-N 1 0 396.329 2.321 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)COc1ccc2ccccc2c1Br ZINC000152730086 531567719 /nfs/dbraw/zinc/56/77/19/531567719.db2.gz QRQMCAXVUFCVLR-SFHVURJKSA-N 1 0 395.297 2.410 20 0 GEADRO C[N@H+](CC(=O)NC(=O)NC1CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000152608860 531559888 /nfs/dbraw/zinc/55/98/88/531559888.db2.gz SJSSKDQCPMVWBC-UHFFFAOYSA-N 1 0 380.286 2.401 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000152636010 531563421 /nfs/dbraw/zinc/56/34/21/531563421.db2.gz HMTHAOUQUOIWLA-GOSISDBHSA-N 1 0 395.297 2.410 20 0 GEADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152821274 531573714 /nfs/dbraw/zinc/57/37/14/531573714.db2.gz XNOONCZVHSXNOG-PXAZEXFGSA-N 1 0 385.302 2.087 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(S(C)(=O)=O)cs2)[C@H](C)C1 ZINC000152856105 531575649 /nfs/dbraw/zinc/57/56/49/531575649.db2.gz GWOPUVNKHSPVQX-HIFRSBDPSA-N 1 0 388.555 2.018 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000152861011 531575314 /nfs/dbraw/zinc/57/53/14/531575314.db2.gz DOBPXTZNFFNUNB-WBMJQRKESA-N 1 0 386.901 2.231 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000152994600 531581842 /nfs/dbraw/zinc/58/18/42/531581842.db2.gz NUUAGEHKHSXGGO-HNNXBMFYSA-N 1 0 395.301 2.395 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(F)cc1CS(C)(=O)=O ZINC000152970671 531581956 /nfs/dbraw/zinc/58/19/56/531581956.db2.gz GWQSAMSUXKDBPL-UHFFFAOYSA-N 1 0 376.519 2.384 20 0 GEADRO CC(C)n1cnc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000153022889 531583935 /nfs/dbraw/zinc/58/39/35/531583935.db2.gz RTAOCDXNCKXVSI-UHFFFAOYSA-N 1 0 386.587 2.494 20 0 GEADRO Cc1cc(Cl)c(C)c(S(=O)(=O)NCCN2CC[NH+](C)CC2)c1Cl ZINC000022913120 531595070 /nfs/dbraw/zinc/59/50/70/531595070.db2.gz LPWNZYKHTDMKEX-UHFFFAOYSA-N 1 0 380.341 2.136 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000023260427 531596313 /nfs/dbraw/zinc/59/63/13/531596313.db2.gz NAXBQVXWYKWMTF-UHFFFAOYSA-N 1 0 384.977 2.120 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cncc(Br)c1)c1ccccc1 ZINC000153528122 531603877 /nfs/dbraw/zinc/60/38/77/531603877.db2.gz RQIGWBNUNLXDGF-OAHLLOKOSA-N 1 0 391.269 2.202 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000153738905 531607745 /nfs/dbraw/zinc/60/77/45/531607745.db2.gz JWJAWXXXKNYTGJ-JKSUJKDBSA-N 1 0 383.286 2.118 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CCn1cnc2sccc2c1=O)c1ccsc1 ZINC000025331890 531612484 /nfs/dbraw/zinc/61/24/84/531612484.db2.gz DXLDBPKOYKPMFH-CQSZACIVSA-N 1 0 376.507 2.329 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cncc(Br)c1)[NH+]1CCC(C)CC1 ZINC000153940130 531614768 /nfs/dbraw/zinc/61/47/68/531614768.db2.gz HBZUFNJEKQFZQP-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(Cl)c(F)c3)CC2)cn1 ZINC000153997646 531617421 /nfs/dbraw/zinc/61/74/21/531617421.db2.gz BEQGSKRSRUEFMV-UHFFFAOYSA-N 1 0 386.880 2.156 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000153986465 531617666 /nfs/dbraw/zinc/61/76/66/531617666.db2.gz ZKBVSAOHXFEKNR-DOMZBBRYSA-N 1 0 381.318 2.466 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000154084393 531621524 /nfs/dbraw/zinc/62/15/24/531621524.db2.gz DGELNPJBJFJNMP-CQSZACIVSA-N 1 0 383.290 2.163 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000154764993 531630470 /nfs/dbraw/zinc/63/04/70/531630470.db2.gz IVCGESYRNOBOQT-CABCVRRESA-N 1 0 382.346 2.380 20 0 GEADRO Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCCCC3)ncn2)s1 ZINC000154704559 531627299 /nfs/dbraw/zinc/62/72/99/531627299.db2.gz NABFLFONDKRPCQ-UHFFFAOYSA-N 1 0 381.527 2.227 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000154768617 531631731 /nfs/dbraw/zinc/63/17/31/531631731.db2.gz CJYDTZIOPZQVRT-UHFFFAOYSA-N 1 0 384.267 2.138 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000154822699 531634850 /nfs/dbraw/zinc/63/48/50/531634850.db2.gz DKISDSXAAXBXGA-CQSZACIVSA-N 1 0 395.345 2.373 20 0 GEADRO COc1ccc(C(=O)N(C)CC[NH+]2CCCC2)c(I)c1 ZINC000154811036 531632690 /nfs/dbraw/zinc/63/26/90/531632690.db2.gz LYWXXBCRPALMHX-UHFFFAOYSA-N 1 0 388.249 2.468 20 0 GEADRO CC(C)C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)[NH+](C)C ZINC000042584162 531669633 /nfs/dbraw/zinc/66/96/33/531669633.db2.gz ZQQTVMFOZBLRAQ-LBPRGKRZSA-N 1 0 395.978 2.115 20 0 GEADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000155265462 531669847 /nfs/dbraw/zinc/66/98/47/531669847.db2.gz BGEQKXNGJRSEEY-CQSZACIVSA-N 1 0 396.329 2.273 20 0 GEADRO C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[NH+]1CCCC1 ZINC000042506240 531670440 /nfs/dbraw/zinc/67/04/40/531670440.db2.gz MVEIURPLRIDSNR-AWEZNQCLSA-N 1 0 385.555 2.137 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000040599239 531660732 /nfs/dbraw/zinc/66/07/32/531660732.db2.gz LLIDQKVXUFSIMV-ZDUSSCGKSA-N 1 0 375.332 2.154 20 0 GEADRO Cc1ncc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(Cl)c1Cl ZINC000155176843 531662700 /nfs/dbraw/zinc/66/27/00/531662700.db2.gz ZCJGMTGXGGZYFP-ZDUSSCGKSA-N 1 0 387.311 2.369 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000043008555 531676154 /nfs/dbraw/zinc/67/61/54/531676154.db2.gz BVGGTTZJEKMQAU-UHFFFAOYSA-N 1 0 387.933 2.004 20 0 GEADRO CC[NH+](CC)CCCNC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000043004050 531676314 /nfs/dbraw/zinc/67/63/14/531676314.db2.gz DQHZNMCEBCZLBV-UHFFFAOYSA-N 1 0 398.349 2.408 20 0 GEADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000155399404 531682551 /nfs/dbraw/zinc/68/25/51/531682551.db2.gz WVAPALNWCZTCCM-DOMZBBRYSA-N 1 0 382.302 2.024 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000044521376 531682797 /nfs/dbraw/zinc/68/27/97/531682797.db2.gz UXADIXCNLXPKQV-UHFFFAOYSA-N 1 0 395.301 2.333 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3C(=S)N=NC3c3cccs3)CC[C@@H]21 ZINC000155407650 531683365 /nfs/dbraw/zinc/68/33/65/531683365.db2.gz VGAYYCODANBDOT-OLZOCXBDSA-N 1 0 377.539 2.238 20 0 GEADRO C[NH+]1CCC(N(CCO)Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000155508980 531685527 /nfs/dbraw/zinc/68/55/27/531685527.db2.gz SOECZFGHDLNVDZ-UHFFFAOYSA-N 1 0 399.329 2.499 20 0 GEADRO COc1cc(C[NH2+]CCCNS(C)(=O)=O)ccc1OCc1cccs1 ZINC000044862302 531687290 /nfs/dbraw/zinc/68/72/90/531687290.db2.gz UBYGKIQHKRLCFJ-UHFFFAOYSA-N 1 0 384.523 2.365 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)C[NH+]1CCCC1 ZINC000155806913 531699668 /nfs/dbraw/zinc/69/96/68/531699668.db2.gz QHOICBLQVGJCMC-ZDUSSCGKSA-N 1 0 392.301 2.492 20 0 GEADRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000155558414 531689938 /nfs/dbraw/zinc/68/99/38/531689938.db2.gz URKGLPCIYDXBMJ-UHFFFAOYSA-N 1 0 385.306 2.411 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000046279466 531701801 /nfs/dbraw/zinc/70/18/01/531701801.db2.gz NQAYUJGZQPSHAY-CQSZACIVSA-N 1 0 398.349 2.406 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Cc2cc(Br)ccc2F)CC1 ZINC000155928299 531706858 /nfs/dbraw/zinc/70/68/58/531706858.db2.gz LWPVFMHCGCSTLV-HNNXBMFYSA-N 1 0 387.293 2.340 20 0 GEADRO C[NH+]1CCN(CCNC(=O)CCSc2ccccc2Br)CC1 ZINC000046744482 531706988 /nfs/dbraw/zinc/70/69/88/531706988.db2.gz VWFIMFZOBYUIMV-UHFFFAOYSA-N 1 0 386.359 2.295 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)CC2=O)ccc1Br ZINC000157183083 531731110 /nfs/dbraw/zinc/73/11/10/531731110.db2.gz PVSLYWLPPIYRKM-IUODEOHRSA-N 1 0 382.302 2.210 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Cn1cc(Br)ccc1=O)c1ccsc1 ZINC000047528791 531714658 /nfs/dbraw/zinc/71/46/58/531714658.db2.gz PEYCTRVFIKGFKQ-CYBMUJFWSA-N 1 0 384.299 2.091 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000156174787 531718530 /nfs/dbraw/zinc/71/85/30/531718530.db2.gz UJURRUJXZZGYHK-PWSUYJOCSA-N 1 0 389.315 2.052 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000156162025 531719616 /nfs/dbraw/zinc/71/96/16/531719616.db2.gz ZTWPRROVBDAYGC-CMPLNLGQSA-N 1 0 377.304 2.348 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)CC2=O)ccc1Br ZINC000157183229 531732230 /nfs/dbraw/zinc/73/22/30/531732230.db2.gz PVSLYWLPPIYRKM-SWLSCSKDSA-N 1 0 382.302 2.210 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000157445254 531743417 /nfs/dbraw/zinc/74/34/17/531743417.db2.gz WVVKJEXFJZBXGT-CYBMUJFWSA-N 1 0 382.507 2.334 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000048427624 531732991 /nfs/dbraw/zinc/73/29/91/531732991.db2.gz VYQVZWGEMYEXMD-AWEZNQCLSA-N 1 0 385.302 2.397 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CC[NH2+]CC1 ZINC000049186762 531733565 /nfs/dbraw/zinc/73/35/65/531733565.db2.gz QTCXCXRLAOLLSQ-SECBINFHSA-N 1 0 391.107 2.444 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000053202977 531756546 /nfs/dbraw/zinc/75/65/46/531756546.db2.gz JDDQLCGOULWVSC-GFCCVEGCSA-N 1 0 377.304 2.220 20 0 GEADRO O=C(CN1CC[NH+](CC2CC2)CC1)Nc1ccc(I)cc1 ZINC000053236942 531759227 /nfs/dbraw/zinc/75/92/27/531759227.db2.gz SVZTUDUPBHNHDO-UHFFFAOYSA-N 1 0 399.276 2.257 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000157921412 531759659 /nfs/dbraw/zinc/75/96/59/531759659.db2.gz AZGJXMZIQINIRT-UHFFFAOYSA-N 1 0 399.333 2.161 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000052819870 531751052 /nfs/dbraw/zinc/75/10/52/531751052.db2.gz JVXWOVMBBHXXTN-ZDUSSCGKSA-N 1 0 383.286 2.363 20 0 GEADRO O=C1[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)CCCN1CC(F)(F)F ZINC000158208411 531770681 /nfs/dbraw/zinc/77/06/81/531770681.db2.gz XPLWTUNARCFPKS-AWEZNQCLSA-N 1 0 379.492 2.491 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000055183956 531783181 /nfs/dbraw/zinc/78/31/81/531783181.db2.gz LIEIMBRAIJWDLW-TXEJJXNPSA-N 1 0 399.285 2.407 20 0 GEADRO CCNC(=O)CN1CCCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000158273084 531773002 /nfs/dbraw/zinc/77/30/02/531773002.db2.gz AWPBTLXIZSYEFJ-UHFFFAOYSA-N 1 0 382.302 2.042 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000158269741 531773672 /nfs/dbraw/zinc/77/36/72/531773672.db2.gz WWFXPXBOERYBHB-QGZVFWFLSA-N 1 0 395.301 2.039 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000056129479 531808342 /nfs/dbraw/zinc/80/83/42/531808342.db2.gz UWAWOBRXABQNRN-UHFFFAOYSA-N 1 0 388.281 2.165 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000056140921 531809240 /nfs/dbraw/zinc/80/92/40/531809240.db2.gz DPXBDQSWXWEGSD-QXMXGUDHSA-N 1 0 386.901 2.278 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000057365423 531819534 /nfs/dbraw/zinc/81/95/34/531819534.db2.gz OZXVLFBLDKSPMF-CYBMUJFWSA-N 1 0 399.333 2.208 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000161643562 531833107 /nfs/dbraw/zinc/83/31/07/531833107.db2.gz OGZVCGXEJXBMMI-LBPRGKRZSA-N 1 0 381.325 2.365 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000161665419 531833862 /nfs/dbraw/zinc/83/38/62/531833862.db2.gz VZXLLGXHPVHKCM-CQSZACIVSA-N 1 0 381.325 2.365 20 0 GEADRO CN(CC(=O)N1CCC([NH+](C)C)CC1)C(=O)c1ccc(Br)s1 ZINC000058864024 531837465 /nfs/dbraw/zinc/83/74/65/531837465.db2.gz WKDHUBWOXDNMJR-UHFFFAOYSA-N 1 0 388.331 2.135 20 0 GEADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cc(Br)c[nH]3)cc21 ZINC000059003713 531838987 /nfs/dbraw/zinc/83/89/87/531838987.db2.gz TXIWBIBGEZSXPV-UHFFFAOYSA-N 1 0 393.241 2.499 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000061030935 531848839 /nfs/dbraw/zinc/84/88/39/531848839.db2.gz HOECCACCMVKRIY-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO Cc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1Br ZINC000162357844 531842314 /nfs/dbraw/zinc/84/23/14/531842314.db2.gz AIJHIWQKZFKYDK-HNNXBMFYSA-N 1 0 394.313 2.312 20 0 GEADRO Cc1cccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1Br ZINC000162465061 531844008 /nfs/dbraw/zinc/84/40/08/531844008.db2.gz SMHUNKFOKLBFIQ-ZDUSSCGKSA-N 1 0 382.302 2.075 20 0 GEADRO Cc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc(S(N)(=O)=O)c1C ZINC000063684786 531858700 /nfs/dbraw/zinc/85/87/00/531858700.db2.gz FMUFVHRKOSXFNO-HNNXBMFYSA-N 1 0 381.523 2.045 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1csc(S(N)(=O)=O)c1)c1ccsc1 ZINC000063688306 531859137 /nfs/dbraw/zinc/85/91/37/531859137.db2.gz RXPSPDKSZSLWLT-ZDUSSCGKSA-N 1 0 387.552 2.270 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccsc1 ZINC000063684811 531859499 /nfs/dbraw/zinc/85/94/99/531859499.db2.gz ZCEODNNVHPGQPF-CYBMUJFWSA-N 1 0 387.914 2.082 20 0 GEADRO C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[NH+]1CCCC1 ZINC000063732612 531861102 /nfs/dbraw/zinc/86/11/02/531861102.db2.gz PINQWCBPAMWWLP-MNOVXSKESA-N 1 0 388.331 2.229 20 0 GEADRO C[NH+](C)C1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000063734812 531861859 /nfs/dbraw/zinc/86/18/59/531861859.db2.gz JXZDRSNFAKNKBY-MRXNPFEDSA-N 1 0 394.313 2.355 20 0 GEADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000163831595 531865654 /nfs/dbraw/zinc/86/56/54/531865654.db2.gz KBGAHNHZKVMIEV-UHFFFAOYSA-N 1 0 388.295 2.467 20 0 GEADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000165937480 531874930 /nfs/dbraw/zinc/87/49/30/531874930.db2.gz YUDZGWYSSCOPKI-UHFFFAOYSA-N 1 0 383.905 2.006 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000167282617 531876816 /nfs/dbraw/zinc/87/68/16/531876816.db2.gz JAMPAACUIMGUHK-QXMXGUDHSA-N 1 0 395.301 2.162 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@H+](C)C1CC1 ZINC000067282079 531880274 /nfs/dbraw/zinc/88/02/74/531880274.db2.gz NXEAJTBFEOMCBF-MRXNPFEDSA-N 1 0 383.945 2.402 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000067272625 531881116 /nfs/dbraw/zinc/88/11/16/531881116.db2.gz RBYNLMVIPCQJLL-ZDUSSCGKSA-N 1 0 387.933 2.098 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccc(CNc2ncc(Br)cn2)c1 ZINC000067371588 531883266 /nfs/dbraw/zinc/88/32/66/531883266.db2.gz IDRSGVKMRHVYJL-UHFFFAOYSA-N 1 0 378.274 2.143 20 0 GEADRO Cn1cc(Br)cc1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000164696649 531869760 /nfs/dbraw/zinc/86/97/60/531869760.db2.gz AWXDFIDRSLIABE-CQSZACIVSA-N 1 0 396.285 2.341 20 0 GEADRO CC[NH+]1CCC(CNC(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000064657620 531870196 /nfs/dbraw/zinc/87/01/96/531870196.db2.gz VPUGWHYGDGQTJU-UHFFFAOYSA-N 1 0 388.331 2.089 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000170760038 531891580 /nfs/dbraw/zinc/89/15/80/531891580.db2.gz KFUBKHMDCDCKPT-GASCZTMLSA-N 1 0 395.345 2.475 20 0 GEADRO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCCO1 ZINC000170765671 531892946 /nfs/dbraw/zinc/89/29/46/531892946.db2.gz CBBFRLYDYFTMTN-CYBMUJFWSA-N 1 0 387.311 2.148 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000170914594 531893549 /nfs/dbraw/zinc/89/35/49/531893549.db2.gz CUCOJHGFERMBND-UHFFFAOYSA-N 1 0 386.309 2.478 20 0 GEADRO Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)c2cc(Br)ccc2n1 ZINC000170920282 531894613 /nfs/dbraw/zinc/89/46/13/531894613.db2.gz XLWNDVVMCQUKNG-UHFFFAOYSA-N 1 0 391.313 2.283 20 0 GEADRO NS(=O)(=O)CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000170914853 531894685 /nfs/dbraw/zinc/89/46/85/531894685.db2.gz IZDCYWOYYJRPFH-ZDUSSCGKSA-N 1 0 384.889 2.248 20 0 GEADRO CC(C)(O)C[NH+]1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000171154339 531896081 /nfs/dbraw/zinc/89/60/81/531896081.db2.gz PGKSNJZBAQEFLS-UHFFFAOYSA-N 1 0 385.302 2.109 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+](CC(C)(C)O)CC2)cc1OC ZINC000171153692 531896227 /nfs/dbraw/zinc/89/62/27/531896227.db2.gz PMMFWUTZYQSGQQ-UHFFFAOYSA-N 1 0 387.318 2.355 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000069126652 531910462 /nfs/dbraw/zinc/91/04/62/531910462.db2.gz AUQPFGMUROLMLT-KRWDZBQOSA-N 1 0 379.551 2.324 20 0 GEADRO CCn1cc(Br)cc1C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000171282064 531902879 /nfs/dbraw/zinc/90/28/79/531902879.db2.gz CNBOXFAVVIQAID-CQSZACIVSA-N 1 0 385.350 2.274 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000172029686 531930600 /nfs/dbraw/zinc/93/06/00/531930600.db2.gz FCQPAMYZIRDGTL-KGLIPLIRSA-N 1 0 394.313 2.212 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000172055095 531931054 /nfs/dbraw/zinc/93/10/54/531931054.db2.gz PVTMYVHGNCLOFE-TZMCWYRMSA-N 1 0 382.302 2.036 20 0 GEADRO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000172055100 531931126 /nfs/dbraw/zinc/93/11/26/531931126.db2.gz PVTMYVHGNCLOFE-JSGCOSHPSA-N 1 0 382.302 2.036 20 0 GEADRO C[NH+](C)CCN1CCC(Nc2cc(Br)cc(F)c2C(N)=O)CC1 ZINC000094135115 531932180 /nfs/dbraw/zinc/93/21/80/531932180.db2.gz HXGGVUWDVHACQP-UHFFFAOYSA-N 1 0 387.297 2.125 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000626509858 531933409 /nfs/dbraw/zinc/93/34/09/531933409.db2.gz ZSGKPGMLMJKOSN-SECBINFHSA-N 1 0 385.852 2.186 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cc3c(c(Br)c2)OCO3)CCOCC1 ZINC000172199614 531938930 /nfs/dbraw/zinc/93/89/30/531938930.db2.gz WXSZQXBJYIRAJL-UHFFFAOYSA-N 1 0 385.258 2.018 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000109182404 531942560 /nfs/dbraw/zinc/94/25/60/531942560.db2.gz WPNYENQMOQFIMK-HNNXBMFYSA-N 1 0 388.295 2.141 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000172279455 531944469 /nfs/dbraw/zinc/94/44/69/531944469.db2.gz ATEHSJHQMMDRGY-MCMMXHMISA-N 1 0 387.343 2.405 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000172313156 531946597 /nfs/dbraw/zinc/94/65/97/531946597.db2.gz VJBWWCBOYOSDQB-ZDUSSCGKSA-N 1 0 385.302 2.179 20 0 GEADRO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1ccccc1I ZINC000172347621 531947224 /nfs/dbraw/zinc/94/72/24/531947224.db2.gz QOKSWQVNEWFHJM-UHFFFAOYSA-N 1 0 399.276 2.400 20 0 GEADRO COCCCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000117882833 531962154 /nfs/dbraw/zinc/96/21/54/531962154.db2.gz WIUNOWKQGUJZEP-UHFFFAOYSA-N 1 0 385.302 2.399 20 0 GEADRO O=C(COc1cccc(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172461529 531953526 /nfs/dbraw/zinc/95/35/26/531953526.db2.gz SUFNMPGAYMKVOI-UHFFFAOYSA-N 1 0 397.313 2.399 20 0 GEADRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)ccc1Br ZINC000114211169 531955892 /nfs/dbraw/zinc/95/58/92/531955892.db2.gz CREGZPHJSIPSEX-UHFFFAOYSA-N 1 0 391.331 2.147 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)c(F)c1 ZINC000173024155 531980503 /nfs/dbraw/zinc/98/05/03/531980503.db2.gz HSTFFVURBMYAQX-JTQLQIEISA-N 1 0 377.279 2.351 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cc(Br)ccc1F ZINC000120342020 531981156 /nfs/dbraw/zinc/98/11/56/531981156.db2.gz ORNSBPOHZHLSPX-SNVBAGLBSA-N 1 0 384.249 2.127 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173210806 531996184 /nfs/dbraw/zinc/99/61/84/531996184.db2.gz JMIPWIXUFQITRG-HNNXBMFYSA-N 1 0 392.297 2.477 20 0 GEADRO O=S1(=O)CCC(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000120805936 531996416 /nfs/dbraw/zinc/99/64/16/531996416.db2.gz WRZROWLKIMXAHQ-UHFFFAOYSA-N 1 0 376.272 2.092 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)c1nc2ncc(Br)cn2n1 ZINC000120801803 531996551 /nfs/dbraw/zinc/99/65/51/531996551.db2.gz BBYAOKVXYIMZEZ-UHFFFAOYSA-N 1 0 383.294 2.081 20 0 GEADRO O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173229921 531997614 /nfs/dbraw/zinc/99/76/14/531997614.db2.gz CIWCMDVQCAWJNX-GFCCVEGCSA-N 1 0 386.279 2.113 20 0 GEADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000120829119 531998100 /nfs/dbraw/zinc/99/81/00/531998100.db2.gz VXYTYGALGJRPJV-INIZCTEOSA-N 1 0 390.571 2.125 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCn2cc(Br)ccc2=O)C1 ZINC000120951498 532004311 /nfs/dbraw/zinc/00/43/11/532004311.db2.gz DKYZJQOETRVZSK-GASCZTMLSA-N 1 0 398.345 2.485 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000173457487 532013341 /nfs/dbraw/zinc/01/33/41/532013341.db2.gz UNJRJCVBSMVJOK-CYBMUJFWSA-N 1 0 377.913 2.031 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000121114483 532012778 /nfs/dbraw/zinc/01/27/78/532012778.db2.gz NEHDKBLJHQBVLW-UHFFFAOYSA-N 1 0 386.290 2.115 20 0 GEADRO CN(C)CC[NH+]1CCC(CNC(=O)COc2ccccc2Br)CC1 ZINC000121159673 532014398 /nfs/dbraw/zinc/01/43/98/532014398.db2.gz PKLZKJCPRQYFNN-UHFFFAOYSA-N 1 0 398.345 2.218 20 0 GEADRO C[N@H+](Cc1ccc(Br)cc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000121322184 532023507 /nfs/dbraw/zinc/02/35/07/532023507.db2.gz VULFZRFOOUNVRG-UHFFFAOYSA-N 1 0 379.295 2.444 20 0 GEADRO C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C1CCN(S(C)(=O)=O)CC1 ZINC000121445057 532028160 /nfs/dbraw/zinc/02/81/60/532028160.db2.gz WGLKALCCTVAQEJ-UHFFFAOYSA-N 1 0 384.889 2.246 20 0 GEADRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1Br)CN1CCOCC1 ZINC000173840497 532037476 /nfs/dbraw/zinc/03/74/76/532037476.db2.gz HPVRVCKQSHKSDZ-OAHLLOKOSA-N 1 0 377.710 2.275 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000173854725 532038981 /nfs/dbraw/zinc/03/89/81/532038981.db2.gz NGYRIEAMOFDAOX-QAPCUYQASA-N 1 0 393.329 2.385 20 0 GEADRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121649166 532039985 /nfs/dbraw/zinc/03/99/85/532039985.db2.gz IUEAOODZBAIWOC-UHFFFAOYSA-N 1 0 380.432 2.440 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)C1 ZINC000173923485 532042758 /nfs/dbraw/zinc/04/27/58/532042758.db2.gz GHXYWNDFQWCJSJ-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000173956053 532044084 /nfs/dbraw/zinc/04/40/84/532044084.db2.gz XOVCIHJJEYALLO-ZDUSSCGKSA-N 1 0 388.917 2.464 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)NCCc2nc(C(F)(F)F)cs2)n1 ZINC000173945909 532044296 /nfs/dbraw/zinc/04/42/96/532044296.db2.gz NBEYYMBVCRPQEO-UHFFFAOYSA-N 1 0 376.408 2.284 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000174127352 532049851 /nfs/dbraw/zinc/04/98/51/532049851.db2.gz XODOHIOWJLLWHM-HNNXBMFYSA-N 1 0 388.339 2.340 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000174119764 532050597 /nfs/dbraw/zinc/05/05/97/532050597.db2.gz IPMVXOMITHAZGH-GFCCVEGCSA-N 1 0 379.917 2.345 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000174135043 532051827 /nfs/dbraw/zinc/05/18/27/532051827.db2.gz IJXNRQDYIYMCQY-GJZGRUSLSA-N 1 0 377.312 2.122 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000174135056 532052367 /nfs/dbraw/zinc/05/23/67/532052367.db2.gz IJXNRQDYIYMCQY-CABCVRRESA-N 1 0 377.312 2.122 20 0 GEADRO Cn1cc(Br)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000121943992 532052481 /nfs/dbraw/zinc/05/24/81/532052481.db2.gz UBMBFRIYGFANRL-GDBMZVCRSA-N 1 0 384.318 2.285 20 0 GEADRO Cn1cc(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000121944164 532052527 /nfs/dbraw/zinc/05/25/27/532052527.db2.gz UBMBFRIYGFANRL-GOEBONIOSA-N 1 0 384.318 2.285 20 0 GEADRO COc1ccc(C(=O)NCC[N@H+](C)C(C)C)c(I)c1 ZINC000122207821 532061271 /nfs/dbraw/zinc/06/12/71/532061271.db2.gz QNLJEIATNCXQPB-UHFFFAOYSA-N 1 0 376.238 2.370 20 0 GEADRO C[C@H](CCNC(=O)c1csc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1 ZINC000174412418 532065313 /nfs/dbraw/zinc/06/53/13/532065313.db2.gz GZSQXDGGXDCRNK-CYBMUJFWSA-N 1 0 381.523 2.036 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C)C1 ZINC000174542963 532069055 /nfs/dbraw/zinc/06/90/55/532069055.db2.gz KKCKOXGYUSUPDU-ZDUSSCGKSA-N 1 0 379.555 2.436 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000122423256 532069480 /nfs/dbraw/zinc/06/94/80/532069480.db2.gz SZJNHNIQZMSAIU-MRVPVSSYSA-N 1 0 383.695 2.223 20 0 GEADRO Cc1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000122518970 532073136 /nfs/dbraw/zinc/07/31/36/532073136.db2.gz RHRMCCPICXWNOI-HNNXBMFYSA-N 1 0 392.301 2.408 20 0 GEADRO CCOCCS(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000122528444 532074028 /nfs/dbraw/zinc/07/40/28/532074028.db2.gz JQGOFVUJBIGWGP-UHFFFAOYSA-N 1 0 390.933 2.139 20 0 GEADRO COC1CC[NH+](CCNC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000122572752 532075647 /nfs/dbraw/zinc/07/56/47/532075647.db2.gz MGRMMJCCCCYSFE-OAHLLOKOSA-N 1 0 383.286 2.152 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1)C[NH+]1CCCC1 ZINC000174749735 532077579 /nfs/dbraw/zinc/07/75/79/532077579.db2.gz BKZPYOIGJCAFPD-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174900231 532082456 /nfs/dbraw/zinc/08/24/56/532082456.db2.gz CIEFBPGXFHLHHF-UHFFFAOYSA-N 1 0 392.244 2.370 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000122914050 532086299 /nfs/dbraw/zinc/08/62/99/532086299.db2.gz KGXSBRQMOGECSI-UHFFFAOYSA-N 1 0 377.304 2.044 20 0 GEADRO CCOC(=O)c1nc(NCCCN2CC[NH+](CC)CC2)ccc1Br ZINC000603277684 532087436 /nfs/dbraw/zinc/08/74/36/532087436.db2.gz YBZKWRXCSHPADR-UHFFFAOYSA-N 1 0 399.333 2.460 20 0 GEADRO C[C@H](CNC(=O)NCCc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000175028581 532087571 /nfs/dbraw/zinc/08/75/71/532087571.db2.gz JKHAMPAJJKIUNZ-OAHLLOKOSA-N 1 0 397.361 2.174 20 0 GEADRO C[NH2+]CCCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000123010299 532089159 /nfs/dbraw/zinc/08/91/59/532089159.db2.gz YXOYRGPMCLCUKD-UHFFFAOYSA-N 1 0 390.328 2.460 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)ccc1-n1cnnn1)c1cccs1 ZINC000123050245 532090972 /nfs/dbraw/zinc/09/09/72/532090972.db2.gz ZCHKYMIRBVPWQS-AWEZNQCLSA-N 1 0 376.873 2.410 20 0 GEADRO COc1cc(S(=O)(=O)NCCC[NH+]2CCCC2)ccc1Br ZINC000175197934 532092425 /nfs/dbraw/zinc/09/24/25/532092425.db2.gz NPAGDIZGRDVXFT-UHFFFAOYSA-N 1 0 377.304 2.222 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000175289022 532097202 /nfs/dbraw/zinc/09/72/02/532097202.db2.gz GRQAPYCXCOFTOX-GFCCVEGCSA-N 1 0 391.331 2.420 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000123297929 532097751 /nfs/dbraw/zinc/09/77/51/532097751.db2.gz LSSFOIKVRDTMNF-LBPRGKRZSA-N 1 0 398.276 2.471 20 0 GEADRO COc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1Br ZINC000175305177 532098463 /nfs/dbraw/zinc/09/84/63/532098463.db2.gz KVQHWASWBVMRBB-FZMZJTMJSA-N 1 0 391.331 2.418 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000175308874 532098531 /nfs/dbraw/zinc/09/85/31/532098531.db2.gz JJIVPIVDGPAAJV-CQSZACIVSA-N 1 0 396.329 2.369 20 0 GEADRO Cc1c(C(=O)N2CC[NH2+]C(C)(C)C2)nnn1-c1cccc(Br)c1 ZINC000175391731 532101789 /nfs/dbraw/zinc/10/17/89/532101789.db2.gz MMSNKWUMDQXVIG-UHFFFAOYSA-N 1 0 378.274 2.162 20 0 GEADRO CN(CC(C)(C)C[NH+]1CCOCC1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000123578129 532102727 /nfs/dbraw/zinc/10/27/27/532102727.db2.gz NRIPVQKWLSPVOY-INIZCTEOSA-N 1 0 398.345 2.266 20 0 GEADRO C[C@@H](CNC(=O)Nc1nnc(-c2ccsc2)s1)C[NH+]1CCN(C)CC1 ZINC000175492356 532104806 /nfs/dbraw/zinc/10/48/06/532104806.db2.gz VYCBSNJHWWNFCV-LBPRGKRZSA-N 1 0 380.543 2.272 20 0 GEADRO Cc1cc(NC(=O)CN2CC[NH+](C3CCOCC3)CC2)ccc1Br ZINC000175478563 532105141 /nfs/dbraw/zinc/10/51/41/532105141.db2.gz UOJVSBMPNWACBD-UHFFFAOYSA-N 1 0 396.329 2.493 20 0 GEADRO C[NH+](C)CCCNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000123779774 532107050 /nfs/dbraw/zinc/10/70/50/532107050.db2.gz AQZUISRCTMQKQB-UHFFFAOYSA-N 1 0 387.571 2.431 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000175850592 532117106 /nfs/dbraw/zinc/11/71/06/532117106.db2.gz FDBFAACDNJAUOT-NSHDSACASA-N 1 0 376.507 2.411 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000124423094 532120547 /nfs/dbraw/zinc/12/05/47/532120547.db2.gz JMCABGPBQWLVRE-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)NCc2cccc(Br)c2)CC1 ZINC000175692900 532112159 /nfs/dbraw/zinc/11/21/59/532112159.db2.gz OTRAMXKDUQUACM-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)NCc2sccc2Br)CC1 ZINC000175695857 532112193 /nfs/dbraw/zinc/11/21/93/532112193.db2.gz BEWVUXOTHZWDLO-UHFFFAOYSA-N 1 0 389.363 2.336 20 0 GEADRO CN(CC(=O)NCC[NH+]1CCCCCC1)C(=O)c1ccc(Br)o1 ZINC000125541734 532138250 /nfs/dbraw/zinc/13/82/50/532138250.db2.gz PEIFTFHXRLHBPY-UHFFFAOYSA-N 1 0 386.290 2.106 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(OC)cc2Br)CC1 ZINC000124581236 532125570 /nfs/dbraw/zinc/12/55/70/532125570.db2.gz NHWFWVHNEKOKRM-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(I)ccc2O)C1 ZINC000176085743 532125908 /nfs/dbraw/zinc/12/59/08/532125908.db2.gz ZUUOYOXXYYTCLM-NSHDSACASA-N 1 0 388.249 2.411 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)C1 ZINC000176089072 532126002 /nfs/dbraw/zinc/12/60/02/532126002.db2.gz MYDJJLXXGZWVDM-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000176511737 532139804 /nfs/dbraw/zinc/13/98/04/532139804.db2.gz IHZCYVVGTPTTJN-LLVKDONJSA-N 1 0 378.270 2.314 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000176218206 532130599 /nfs/dbraw/zinc/13/05/99/532130599.db2.gz LZCGCRUQHKTTKH-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000124988556 532132241 /nfs/dbraw/zinc/13/22/41/532132241.db2.gz MDWFMHPBPXFOHX-IAQYHMDHSA-N 1 0 384.274 2.375 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000125133307 532132735 /nfs/dbraw/zinc/13/27/35/532132735.db2.gz VGTDISNBEXEZEN-MNOVXSKESA-N 1 0 377.304 2.314 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2nc(C(F)(F)F)cs2)C[C@H](C)O1 ZINC000125224711 532134085 /nfs/dbraw/zinc/13/40/85/532134085.db2.gz KSQZNEFCJCNMCN-PHIMTYICSA-N 1 0 380.436 2.460 20 0 GEADRO CSCc1noc(CCC(=O)NC[C@H](C)N2CCc3sccc3C2)n1 ZINC000125510018 532136882 /nfs/dbraw/zinc/13/68/82/532136882.db2.gz XGKABEKLCQXKFZ-LBPRGKRZSA-N 1 0 380.539 2.490 20 0 GEADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nc(=O)[nH][n-]1 ZINC000125538280 532137200 /nfs/dbraw/zinc/13/72/00/532137200.db2.gz UFRQZHHELJDYEG-UHFFFAOYSA-N 1 0 386.283 2.389 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000176792685 532149963 /nfs/dbraw/zinc/14/99/63/532149963.db2.gz MDGUFNSVLUDLLV-UHFFFAOYSA-N 1 0 382.507 2.287 20 0 GEADRO CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000176809437 532150562 /nfs/dbraw/zinc/15/05/62/532150562.db2.gz IWVZPWJHMVGCMO-UHFFFAOYSA-N 1 0 387.933 2.148 20 0 GEADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000126917411 532151859 /nfs/dbraw/zinc/15/18/59/532151859.db2.gz CZGGKTCCMCDLQU-HNNXBMFYSA-N 1 0 394.269 2.398 20 0 GEADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126912515 532151948 /nfs/dbraw/zinc/15/19/48/532151948.db2.gz UDRQAJCBIJUMMQ-OAHLLOKOSA-N 1 0 377.286 2.402 20 0 GEADRO C[NH+](C)C1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000176890260 532153606 /nfs/dbraw/zinc/15/36/06/532153606.db2.gz SAYBWYPLXAENHM-UHFFFAOYSA-N 1 0 375.332 2.249 20 0 GEADRO C[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1Br)CN1CCOCC1 ZINC000127527692 532154664 /nfs/dbraw/zinc/15/46/64/532154664.db2.gz YPDGGUUZNFVHAU-OAHLLOKOSA-N 1 0 377.710 2.275 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000176917758 532154981 /nfs/dbraw/zinc/15/49/81/532154981.db2.gz JXRTXXYDCRVUPH-UHFFFAOYSA-N 1 0 380.341 2.298 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN(C)[C@H](CO)c2cccc(Br)c2)CC1 ZINC000125715152 532141399 /nfs/dbraw/zinc/14/13/99/532141399.db2.gz BJIKNGTWLZJXOS-QGZVFWFLSA-N 1 0 398.345 2.015 20 0 GEADRO O=C1NCCN1C1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000127628386 532155789 /nfs/dbraw/zinc/15/57/89/532155789.db2.gz YSWYLBRPJSNXNU-UHFFFAOYSA-N 1 0 378.274 2.086 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000176961781 532156563 /nfs/dbraw/zinc/15/65/63/532156563.db2.gz PANAGIAWCQHWTL-UHFFFAOYSA-N 1 0 386.901 2.279 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1Cl ZINC000176961973 532156783 /nfs/dbraw/zinc/15/67/83/532156783.db2.gz ZKMGKHPNUBHFHS-CYBMUJFWSA-N 1 0 386.901 2.376 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000176976337 532157919 /nfs/dbraw/zinc/15/79/19/532157919.db2.gz ZTMVZDUAWVTFLL-UHFFFAOYSA-N 1 0 398.282 2.498 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000177016827 532159176 /nfs/dbraw/zinc/15/91/76/532159176.db2.gz OQFBGWSGXLVRTF-GFCCVEGCSA-N 1 0 398.301 2.115 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000177024807 532159540 /nfs/dbraw/zinc/15/95/40/532159540.db2.gz FKTOUVOWSHZWQC-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H]1CCC[N@H+](C)C1 ZINC000177074849 532160737 /nfs/dbraw/zinc/16/07/37/532160737.db2.gz POQBGEAFQXTQJN-NSHDSACASA-N 1 0 378.270 2.457 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000128064774 532161188 /nfs/dbraw/zinc/16/11/88/532161188.db2.gz AQTFRDIFWMDZCT-UHFFFAOYSA-N 1 0 387.311 2.076 20 0 GEADRO CCC[N@H+](C[C@@H](O)COCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000128075378 532161283 /nfs/dbraw/zinc/16/12/83/532161283.db2.gz MCNIKKJRSBLBPS-HZPDHXFCSA-N 1 0 375.918 2.117 20 0 GEADRO COc1ccc(Br)cc1CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177115254 532161968 /nfs/dbraw/zinc/16/19/68/532161968.db2.gz RDLRKEKVNYMGEA-UHFFFAOYSA-N 1 0 398.345 2.142 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@H](CO)C1 ZINC000128369070 532164023 /nfs/dbraw/zinc/16/40/23/532164023.db2.gz ODKUKSRRLSLMNG-RYUDHWBXSA-N 1 0 388.249 2.323 20 0 GEADRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000128442109 532165073 /nfs/dbraw/zinc/16/50/73/532165073.db2.gz FPSNHIHGEYJGKQ-MNOVXSKESA-N 1 0 398.248 2.380 20 0 GEADRO C[C@H](CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[N@H+](C)C1CC1 ZINC000177727950 532180382 /nfs/dbraw/zinc/18/03/82/532180382.db2.gz ZTOYDWURYKNRDM-SNVBAGLBSA-N 1 0 398.276 2.076 20 0 GEADRO CC[N@H+](CCCN1C(=O)CNC1=O)CCOc1ccc(Br)cc1 ZINC000129710171 532183315 /nfs/dbraw/zinc/18/33/15/532183315.db2.gz AZFNIHHASNBFKC-UHFFFAOYSA-N 1 0 384.274 2.092 20 0 GEADRO O=C(NCc1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177446424 532171250 /nfs/dbraw/zinc/17/12/50/532171250.db2.gz NEIWGTSFLAVBBL-UHFFFAOYSA-N 1 0 382.302 2.455 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)cc1Cl ZINC000129169129 532173827 /nfs/dbraw/zinc/17/38/27/532173827.db2.gz SEFYRJJVOVZAPU-ULKQDVFKSA-N 1 0 377.293 2.410 20 0 GEADRO Cc1ccc(Br)c(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000129284892 532176413 /nfs/dbraw/zinc/17/64/13/532176413.db2.gz KWGHABBOQXDSHX-CYBMUJFWSA-N 1 0 397.317 2.466 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000130253763 532191176 /nfs/dbraw/zinc/19/11/76/532191176.db2.gz CFNPXTMCXPQTNL-GOEBONIOSA-N 1 0 397.313 2.494 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178069553 532191287 /nfs/dbraw/zinc/19/12/87/532191287.db2.gz KQFZKRVQQDESOL-AWEZNQCLSA-N 1 0 385.277 2.311 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178079508 532192816 /nfs/dbraw/zinc/19/28/16/532192816.db2.gz YFGYXBOZRCYZMV-CABCVRRESA-N 1 0 397.313 2.397 20 0 GEADRO COc1cc(Br)ccc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178104936 532193626 /nfs/dbraw/zinc/19/36/26/532193626.db2.gz NVRYIVNADORJIQ-ZDUSSCGKSA-N 1 0 383.286 2.252 20 0 GEADRO CSc1ccc(Cl)c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000178137839 532194241 /nfs/dbraw/zinc/19/42/41/532194241.db2.gz BOGIUGAYTWXSMP-MRXNPFEDSA-N 1 0 381.929 2.441 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000131307980 532195469 /nfs/dbraw/zinc/19/54/69/532195469.db2.gz IYDWYTAUOGFTJT-OLZOCXBDSA-N 1 0 388.331 2.103 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131526240 532198801 /nfs/dbraw/zinc/19/88/01/532198801.db2.gz FIHGDLBFZIGLGN-NWDGAFQWSA-N 1 0 387.265 2.207 20 0 GEADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178307865 532198903 /nfs/dbraw/zinc/19/89/03/532198903.db2.gz KOADQVUHEJNAML-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)[C@H]1C[NH2+]CCO1 ZINC000178359224 532200072 /nfs/dbraw/zinc/20/00/72/532200072.db2.gz FKGFUJCLMJYPOU-CYBMUJFWSA-N 1 0 382.283 2.423 20 0 GEADRO C[NH+]1CCC(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000129933282 532186480 /nfs/dbraw/zinc/18/64/80/532186480.db2.gz NIJDMVCEVQUZRU-INIZCTEOSA-N 1 0 394.313 2.260 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1CC[NH+](C)CC1 ZINC000129934297 532187192 /nfs/dbraw/zinc/18/71/92/532187192.db2.gz RMMRALFKDRZYHH-SNVBAGLBSA-N 1 0 388.331 2.087 20 0 GEADRO COc1cc(C[NH2+]C2(CO)CCC2)cc(I)c1OC ZINC000178638192 532208188 /nfs/dbraw/zinc/20/81/88/532208188.db2.gz QLIFWHLRRFGMKQ-UHFFFAOYSA-N 1 0 377.222 2.313 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)NCC[C@H](C)[NH3+] ZINC000178663602 532209432 /nfs/dbraw/zinc/20/94/32/532209432.db2.gz XHTJZFHZZWNRFP-ZETCQYMHSA-N 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532215166 /nfs/dbraw/zinc/21/51/66/532215166.db2.gz OKNFERKQLZHHCL-GXTWGEPZSA-N 1 0 394.313 2.388 20 0 GEADRO CCCN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CC[NH2+]C1 ZINC000178897797 532216982 /nfs/dbraw/zinc/21/69/82/532216982.db2.gz DDMNNVLTJZLHFE-HOTGVXAUSA-N 1 0 394.313 2.403 20 0 GEADRO CCCN(C(=O)CCNC(=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000178923717 532217578 /nfs/dbraw/zinc/21/75/78/532217578.db2.gz MGGLVCXGFLOKEM-OAHLLOKOSA-N 1 0 382.302 2.170 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1Cl ZINC000178920833 532217592 /nfs/dbraw/zinc/21/75/92/532217592.db2.gz PWFCAVZRUPQAER-MRVPVSSYSA-N 1 0 383.695 2.141 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178926629 532217980 /nfs/dbraw/zinc/21/79/80/532217980.db2.gz TVWSOHMDMKNHJV-NSHDSACASA-N 1 0 382.507 2.436 20 0 GEADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1cc(F)c(Cl)cc1Cl ZINC000131744878 532203569 /nfs/dbraw/zinc/20/35/69/532203569.db2.gz DEJZTZYETWETKN-UHFFFAOYSA-N 1 0 392.302 2.252 20 0 GEADRO O=C(Cc1cc(Cl)ccc1Cl)NCCCC[NH+]1CCN(CCO)CC1 ZINC000131755151 532203698 /nfs/dbraw/zinc/20/36/98/532203698.db2.gz JRHMFZRQIRLRDF-UHFFFAOYSA-N 1 0 388.339 2.042 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000178518748 532203816 /nfs/dbraw/zinc/20/38/16/532203816.db2.gz LINXIACJXZNXIU-VIFPVBQESA-N 1 0 385.287 2.300 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2cccnc2Br)([NH+](C)C)C1 ZINC000179552459 532235806 /nfs/dbraw/zinc/23/58/06/532235806.db2.gz XCUYRQLCEOYVMJ-SJCJKPOMSA-N 1 0 397.317 2.409 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccnc1Br ZINC000179562527 532235869 /nfs/dbraw/zinc/23/58/69/532235869.db2.gz GZRBIVAOQDTRNE-NWDGAFQWSA-N 1 0 383.290 2.019 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000133359620 532232368 /nfs/dbraw/zinc/23/23/68/532232368.db2.gz PBCKXXJXELYDIG-SJORKVTESA-N 1 0 380.330 2.306 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000179495623 532232936 /nfs/dbraw/zinc/23/29/36/532232936.db2.gz QPOSDOJUXQRLLD-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1C ZINC000133387935 532233898 /nfs/dbraw/zinc/23/38/98/532233898.db2.gz IHUPJESLZVAFSP-UHFFFAOYSA-N 1 0 379.320 2.004 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000133417876 532234808 /nfs/dbraw/zinc/23/48/08/532234808.db2.gz INVNKEMXZKCWSV-UHFFFAOYSA-N 1 0 396.329 2.416 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)c(Br)n1 ZINC000179556231 532235485 /nfs/dbraw/zinc/23/54/85/532235485.db2.gz OHQUQQRZERHYPO-LBPRGKRZSA-N 1 0 397.317 2.329 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)C1 ZINC000179021257 532220587 /nfs/dbraw/zinc/22/05/87/532220587.db2.gz USTLLVFCOROVGG-XJKSGUPXSA-N 1 0 383.945 2.259 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000132875690 532222513 /nfs/dbraw/zinc/22/25/13/532222513.db2.gz OGYANLPAGJEMBH-CQSZACIVSA-N 1 0 379.551 2.365 20 0 GEADRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000179130584 532223249 /nfs/dbraw/zinc/22/32/49/532223249.db2.gz GRELZCDVPGSLFT-ZDUSSCGKSA-N 1 0 381.523 2.323 20 0 GEADRO C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)[C@@H]1CO ZINC000132909327 532224073 /nfs/dbraw/zinc/22/40/73/532224073.db2.gz CPUSIUCSOWRNNA-SMDDNHRTSA-N 1 0 388.249 2.323 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179662207 532240134 /nfs/dbraw/zinc/24/01/34/532240134.db2.gz VEOMCWDXZRQZSI-WMLDXEAASA-N 1 0 397.313 2.317 20 0 GEADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000179677793 532240744 /nfs/dbraw/zinc/24/07/44/532240744.db2.gz NKADZUYEIAHPEW-QGZVFWFLSA-N 1 0 385.961 2.439 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)n1 ZINC000179761976 532243383 /nfs/dbraw/zinc/24/33/83/532243383.db2.gz SMMIWOOBMHEBAZ-ZDUSSCGKSA-N 1 0 395.301 2.035 20 0 GEADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179793893 532243776 /nfs/dbraw/zinc/24/37/76/532243776.db2.gz FPKXTTFZDVCZQD-GFCCVEGCSA-N 1 0 380.290 2.200 20 0 GEADRO Cc1cc(=O)n2nc(C[N@H+](CCCO)Cc3cccc(Cl)c3)sc2n1 ZINC000134280313 532254050 /nfs/dbraw/zinc/25/40/50/532254050.db2.gz QACOYLDURAHVQE-UHFFFAOYSA-N 1 0 378.885 2.497 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000134149675 532251153 /nfs/dbraw/zinc/25/11/53/532251153.db2.gz ZABFDFBXRFPJHM-CYBMUJFWSA-N 1 0 382.302 2.496 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000179996687 532252910 /nfs/dbraw/zinc/25/29/10/532252910.db2.gz CPMYOTLZBVIVPF-AWEZNQCLSA-N 1 0 385.302 2.109 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000179557600 532236312 /nfs/dbraw/zinc/23/63/12/532236312.db2.gz YTYLLTBIIMRKTC-GFCCVEGCSA-N 1 0 390.347 2.087 20 0 GEADRO CC[N@H+](CCNC(=O)c1cc(Cn2cc(Br)cn2)on1)C(C)C ZINC000133546477 532237876 /nfs/dbraw/zinc/23/78/76/532237876.db2.gz PJWLOKBZLJVSLQ-UHFFFAOYSA-N 1 0 384.278 2.142 20 0 GEADRO CCOC(=O)C1(NC(=O)c2cc(Br)ccc2F)CC[NH+](C)CC1 ZINC000134327374 532253791 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O=C(COc1ccccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000134808234 532263454 /nfs/dbraw/zinc/26/34/54/532263454.db2.gz OEQKNKOKGJCUSD-UHFFFAOYSA-N 1 0 383.286 2.151 20 0 GEADRO C[NH+](C)C1CN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)C1 ZINC000134975268 532264831 /nfs/dbraw/zinc/26/48/31/532264831.db2.gz WPPCKMFJYOFXJK-UHFFFAOYSA-N 1 0 390.285 2.293 20 0 GEADRO COc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c(OC(F)F)c1 ZINC000180626822 532276493 /nfs/dbraw/zinc/27/64/93/532276493.db2.gz SZTNEEVZPKDLQY-UHFFFAOYSA-N 1 0 378.441 2.152 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000180926495 532285809 /nfs/dbraw/zinc/28/58/09/532285809.db2.gz IBEPHLSMNZBSRG-KRWDZBQOSA-N 1 0 385.961 2.439 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)c1ccc(Br)cc1 ZINC000136812282 532287344 /nfs/dbraw/zinc/28/73/44/532287344.db2.gz RWTPTSIPWBUSMB-ZDUSSCGKSA-N 1 0 395.297 2.249 20 0 GEADRO C[C@H](CN1CCOCC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180490833 532272945 /nfs/dbraw/zinc/27/29/45/532272945.db2.gz MMLFICSLTSTHDG-CQSZACIVSA-N 1 0 386.323 2.472 20 0 GEADRO O=C1NC[C@@H]2CN(Cc3ccc(-c4ccc(Cl)cc4)s3)CCN2C1=O ZINC000180485559 532273228 /nfs/dbraw/zinc/27/32/28/532273228.db2.gz DAGKTZCOOIOUQX-CQSZACIVSA-N 1 0 375.881 2.211 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)O1 ZINC000182042060 532308349 /nfs/dbraw/zinc/30/83/49/532308349.db2.gz DAUAGJNPZHIWMI-RDJZCZTQSA-N 1 0 395.297 2.450 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NCC[N@@H+](C)C3CC3)CC2=O)ccc1Br ZINC000143814219 532296763 /nfs/dbraw/zinc/29/67/63/532296763.db2.gz RSYUEEHHGRLWDV-CYBMUJFWSA-N 1 0 394.313 2.321 20 0 GEADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)s1 ZINC000181391533 532297108 /nfs/dbraw/zinc/29/71/08/532297108.db2.gz SWFOFNOPBPMMMY-RDTXWAMCSA-N 1 0 385.599 2.499 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000181446825 532299359 /nfs/dbraw/zinc/29/93/59/532299359.db2.gz XELDKLRVOZETNI-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000181447700 532299423 /nfs/dbraw/zinc/29/94/23/532299423.db2.gz YGAANSLZIAQGMG-BETUJISGSA-N 1 0 397.317 2.267 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1cccs1 ZINC000181532563 532300973 /nfs/dbraw/zinc/30/09/73/532300973.db2.gz JTFZOFPQNFIMCY-QGZVFWFLSA-N 1 0 379.551 2.281 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181657114 532304348 /nfs/dbraw/zinc/30/43/48/532304348.db2.gz OGICAIWXVHZPAY-UHFFFAOYSA-N 1 0 375.803 2.482 20 0 GEADRO CN(C)C(=O)N1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000181653400 532304366 /nfs/dbraw/zinc/30/43/66/532304366.db2.gz ZMDVSRJBIIOGIS-UHFFFAOYSA-N 1 0 383.290 2.123 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1Br ZINC000181675584 532304805 /nfs/dbraw/zinc/30/48/05/532304805.db2.gz YZGZGHGSXYWXHG-RYUDHWBXSA-N 1 0 391.331 2.390 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c(Br)c1 ZINC000181686433 532304969 /nfs/dbraw/zinc/30/49/69/532304969.db2.gz CRZJXAGMHFNRQC-ZDUSSCGKSA-N 1 0 384.318 2.272 20 0 GEADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000181759443 532306027 /nfs/dbraw/zinc/30/60/27/532306027.db2.gz XGUJDPYLLLISHO-AWEZNQCLSA-N 1 0 386.945 2.491 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cccc(I)c1)[N@H+](C)C1CC1 ZINC000151146946 532307382 /nfs/dbraw/zinc/30/73/82/532307382.db2.gz CSYXYAYZVRVMCA-JTQLQIEISA-N 1 0 394.278 2.052 20 0 GEADRO NC(=O)C[C@@H]([NH2+]Cc1ccc(I)cc1)C1CCOCC1 ZINC000181932492 532307903 /nfs/dbraw/zinc/30/79/03/532307903.db2.gz GUUNIXAFGJDSSF-CQSZACIVSA-N 1 0 388.249 2.051 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2cccs2)c1 ZINC000181935029 532308058 /nfs/dbraw/zinc/30/80/58/532308058.db2.gz JHIWOJFCXGVKQY-CHWSQXEVSA-N 1 0 381.523 2.012 20 0 GEADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccccc1Br ZINC000181964827 532308156 /nfs/dbraw/zinc/30/81/56/532308156.db2.gz OOLGTFZZZYZVIK-ABAIWWIYSA-N 1 0 398.301 2.036 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccnc(Cl)c2I)C1 ZINC000137566781 532290223 /nfs/dbraw/zinc/29/02/23/532290223.db2.gz BWQNVBIZMISETF-MRVPVSSYSA-N 1 0 379.629 2.021 20 0 GEADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2cccnc2Br)CCCC1 ZINC000183357889 532324296 /nfs/dbraw/zinc/32/42/96/532324296.db2.gz HDPJSWGNCKHQKG-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000183429734 532325256 /nfs/dbraw/zinc/32/52/56/532325256.db2.gz VGALKBZWRINRLW-UHFFFAOYSA-N 1 0 395.294 2.361 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000183528072 532326079 /nfs/dbraw/zinc/32/60/79/532326079.db2.gz FHXOSPMDODDJLC-UHFFFAOYSA-N 1 0 375.803 2.338 20 0 GEADRO CN(C)c1cc[nH+]cc1C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000183555408 532326108 /nfs/dbraw/zinc/32/61/08/532326108.db2.gz DFWBERXFLFQXRB-UHFFFAOYSA-N 1 0 392.257 2.016 20 0 GEADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)cn1 ZINC000182580430 532314873 /nfs/dbraw/zinc/31/48/73/532314873.db2.gz LCDAQKLHCHJNPU-KRWDZBQOSA-N 1 0 382.917 2.483 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)C[NH+]1CCCC1 ZINC000182661902 532315956 /nfs/dbraw/zinc/31/59/56/532315956.db2.gz DXJWYKIXPPGMLT-GFCCVEGCSA-N 1 0 381.420 2.033 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)C[NH+]1CCCC1 ZINC000182661885 532316009 /nfs/dbraw/zinc/31/60/09/532316009.db2.gz DXJWYKIXPPGMLT-LBPRGKRZSA-N 1 0 381.420 2.033 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cnc1Br ZINC000182785875 532317551 /nfs/dbraw/zinc/31/75/51/532317551.db2.gz FLGWOMNICYWIRK-CYBMUJFWSA-N 1 0 395.301 2.035 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cnc1Br ZINC000182785897 532317582 /nfs/dbraw/zinc/31/75/82/532317582.db2.gz FLGWOMNICYWIRK-ZDUSSCGKSA-N 1 0 395.301 2.035 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cnc1Br ZINC000182838765 532318663 /nfs/dbraw/zinc/31/86/63/532318663.db2.gz RFEHLHCUHGWSRH-GXTWGEPZSA-N 1 0 395.301 2.034 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000182996095 532320811 /nfs/dbraw/zinc/32/08/11/532320811.db2.gz OKXJRDMPDGWQBE-UHFFFAOYSA-N 1 0 386.290 2.083 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000183263324 532322613 /nfs/dbraw/zinc/32/26/13/532322613.db2.gz WGHLGVAOWMMUKZ-GFCCVEGCSA-N 1 0 391.331 2.499 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Br)cc1F ZINC000185113491 532336863 /nfs/dbraw/zinc/33/68/63/532336863.db2.gz PBTQWLQJYJGANO-LBPRGKRZSA-N 1 0 397.310 2.223 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000185111980 532336922 /nfs/dbraw/zinc/33/69/22/532336922.db2.gz QGGFAAZUGQEOOS-JHJVBQTASA-N 1 0 382.452 2.090 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)cc1Cl ZINC000185226501 532337207 /nfs/dbraw/zinc/33/72/07/532337207.db2.gz DPPKCGSBLPRDRY-UHFFFAOYSA-N 1 0 377.869 2.152 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(Br)s1 ZINC000185495660 532337930 /nfs/dbraw/zinc/33/79/30/532337930.db2.gz OLXXWHVRPVAZHM-GFCCVEGCSA-N 1 0 389.363 2.336 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1sccc1Br ZINC000185638744 532338122 /nfs/dbraw/zinc/33/81/22/532338122.db2.gz OBJKYTKAELEBLI-LBPRGKRZSA-N 1 0 389.363 2.336 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000185626096 532338150 /nfs/dbraw/zinc/33/81/50/532338150.db2.gz VVSIETVKQSTZTQ-UHFFFAOYSA-N 1 0 379.320 2.324 20 0 GEADRO CSc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)cc1Cl ZINC000185642265 532338324 /nfs/dbraw/zinc/33/83/24/532338324.db2.gz GNBDHBJGVMICJJ-UHFFFAOYSA-N 1 0 378.947 2.451 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000185778442 532338798 /nfs/dbraw/zinc/33/87/98/532338798.db2.gz RQBMDTSEBWPPDW-LBPRGKRZSA-N 1 0 377.304 2.172 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)c1cc(F)c(F)cc1I ZINC000186301679 532340499 /nfs/dbraw/zinc/34/04/99/532340499.db2.gz COSDTKGFXQLJLR-UHFFFAOYSA-N 1 0 378.160 2.219 20 0 GEADRO CCC1(CC)CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000186546864 532341202 /nfs/dbraw/zinc/34/12/02/532341202.db2.gz NTWHGLCVSAPMNB-UHFFFAOYSA-N 1 0 375.579 2.065 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCSc1ccccc1 ZINC000186606155 532341435 /nfs/dbraw/zinc/34/14/35/532341435.db2.gz JAKVXMHVPNQRPH-UHFFFAOYSA-N 1 0 382.555 2.132 20 0 GEADRO O=S(=O)(NC1CC[NH+](CC2CCCC2)CC1)c1cnn(CC(F)F)c1 ZINC000186715303 532341798 /nfs/dbraw/zinc/34/17/98/532341798.db2.gz XTAGVJJOMJPQPP-UHFFFAOYSA-N 1 0 376.473 2.081 20 0 GEADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)C1(O)CCC1 ZINC000186723128 532341837 /nfs/dbraw/zinc/34/18/37/532341837.db2.gz QMYNFJZIVSIOFR-UHFFFAOYSA-N 1 0 397.313 2.324 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)s1 ZINC000186909512 532342462 /nfs/dbraw/zinc/34/24/62/532342462.db2.gz CXIIQNKPEXAVGH-LLVKDONJSA-N 1 0 375.332 2.357 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(I)c(F)cc3F)C[C@@H]12 ZINC000186909463 532342469 /nfs/dbraw/zinc/34/24/69/532342469.db2.gz RGERLVFXXMTLEC-HUQFOHBGSA-N 1 0 392.187 2.379 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1cccc(Br)c1 ZINC000186931728 532342647 /nfs/dbraw/zinc/34/26/47/532342647.db2.gz VHEYCIRYZSFVLY-CYBMUJFWSA-N 1 0 385.302 2.132 20 0 GEADRO Cc1nc(C(F)(F)F)c(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)s1 ZINC000183607520 532326613 /nfs/dbraw/zinc/32/66/13/532326613.db2.gz CERWEXJPLVAIOG-GFCCVEGCSA-N 1 0 376.448 2.209 20 0 GEADRO CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183686420 532328009 /nfs/dbraw/zinc/32/80/09/532328009.db2.gz GMSDXAUFKOCRIY-LBPRGKRZSA-N 1 0 384.395 2.280 20 0 GEADRO O=C1CNC(=O)N1CCC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183825732 532329458 /nfs/dbraw/zinc/32/94/58/532329458.db2.gz AOHJHEWQEMFALY-UHFFFAOYSA-N 1 0 396.285 2.234 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC000183918027 532329965 /nfs/dbraw/zinc/32/99/65/532329965.db2.gz LCYOVZPDGBTCRJ-INIZCTEOSA-N 1 0 399.310 2.051 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC000183918049 532330099 /nfs/dbraw/zinc/33/00/99/532330099.db2.gz LCYOVZPDGBTCRJ-MRXNPFEDSA-N 1 0 399.310 2.051 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000183990127 532330548 /nfs/dbraw/zinc/33/05/48/532330548.db2.gz SVFSXRUNNLSEGA-UHFFFAOYSA-N 1 0 382.302 2.143 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1ccccc1Br ZINC000184330444 532331963 /nfs/dbraw/zinc/33/19/63/532331963.db2.gz AFTZFWGINJTPIM-CABCVRRESA-N 1 0 398.345 2.359 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000184636595 532333891 /nfs/dbraw/zinc/33/38/91/532333891.db2.gz NCMWRPILJNXWPU-GDBMZVCRSA-N 1 0 384.567 2.432 20 0 GEADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(F)c1Cl ZINC000188011883 532346254 /nfs/dbraw/zinc/34/62/54/532346254.db2.gz CICAYIANMCXYJV-UHFFFAOYSA-N 1 0 385.288 2.258 20 0 GEADRO Cc1cccc(S(=O)(=O)NCCN2CCOC(C)(C)C2)c1Br ZINC000188097359 532346638 /nfs/dbraw/zinc/34/66/38/532346638.db2.gz LQJGHQXHROVIMR-UHFFFAOYSA-N 1 0 391.331 2.147 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000188126698 532346697 /nfs/dbraw/zinc/34/66/97/532346697.db2.gz FGYCTGBORJAAKW-RISCZKNCSA-N 1 0 380.286 2.437 20 0 GEADRO C[C@H](CNC(=O)Cc1ccc(F)cc1Br)C[NH+]1CCN(C)CC1 ZINC000188177889 532347094 /nfs/dbraw/zinc/34/70/94/532347094.db2.gz TWTBSALINZHDOB-CYBMUJFWSA-N 1 0 386.309 2.130 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000188250943 532347491 /nfs/dbraw/zinc/34/74/91/532347491.db2.gz SNLYLASCWQASMX-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO CC(=O)Nc1ccc(Br)cc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188460706 532348286 /nfs/dbraw/zinc/34/82/86/532348286.db2.gz ILYPIHMCFMPDIC-UHFFFAOYSA-N 1 0 378.230 2.029 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(Br)cc1 ZINC000188585038 532348629 /nfs/dbraw/zinc/34/86/29/532348629.db2.gz ZWIYUVUEKJWYST-CYBMUJFWSA-N 1 0 384.318 2.436 20 0 GEADRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188761788 532349491 /nfs/dbraw/zinc/34/94/91/532349491.db2.gz ZKPIRCGJHYDEHI-XUSGNXJCSA-N 1 0 375.332 2.142 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3nc(Br)cs3)nc2)CC1 ZINC000188777018 532349627 /nfs/dbraw/zinc/34/96/27/532349627.db2.gz LAAQZBOQHABRSN-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO C[C@H]1CN(C(=O)NCCc2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188807925 532349735 /nfs/dbraw/zinc/34/97/35/532349735.db2.gz XLSAOJRALQLHRD-AWEZNQCLSA-N 1 0 398.345 2.478 20 0 GEADRO C[C@@H]1CN(Cc2cnc3ccc(Br)cn23)CC[N@@H+]1CC(C)(C)O ZINC000188892991 532349936 /nfs/dbraw/zinc/34/99/36/532349936.db2.gz BDRUWRUCLGNYOO-CYBMUJFWSA-N 1 0 381.318 2.374 20 0 GEADRO O=C(c1cc(Br)ncc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188909005 532350125 /nfs/dbraw/zinc/35/01/25/532350125.db2.gz WQTWRSPAWHWOOD-LLVKDONJSA-N 1 0 388.693 2.292 20 0 GEADRO O=C(c1cc(Br)ncc1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000188904149 532350179 /nfs/dbraw/zinc/35/01/79/532350179.db2.gz UGDPHLFDZFMDCG-UHFFFAOYSA-N 1 0 388.693 2.434 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)c3ncc(Br)s3)CC2)c1 ZINC000188924360 532350287 /nfs/dbraw/zinc/35/02/87/532350287.db2.gz FHQSCVRUFPDHGN-UHFFFAOYSA-N 1 0 383.271 2.272 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)c2nc(Br)ccc2Br)C1 ZINC000189209783 532351286 /nfs/dbraw/zinc/35/12/86/532351286.db2.gz FEBCCFSBOCPGRU-MRVPVSSYSA-N 1 0 377.080 2.288 20 0 GEADRO COC(=O)[C@@H](O)C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000189257370 532351477 /nfs/dbraw/zinc/35/14/77/532351477.db2.gz MDWSGTSFMUQOBY-HNNXBMFYSA-N 1 0 390.249 2.213 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000189395498 532352187 /nfs/dbraw/zinc/35/21/87/532352187.db2.gz JZGISLJIRTVNFA-CYBMUJFWSA-N 1 0 395.301 2.260 20 0 GEADRO COc1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(Br)c1OC ZINC000189572588 532352876 /nfs/dbraw/zinc/35/28/76/532352876.db2.gz OMXMOKGNULCMHU-QWHCGFSZSA-N 1 0 387.318 2.353 20 0 GEADRO CS(=O)(=O)N1CC(C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000189699297 532353224 /nfs/dbraw/zinc/35/32/24/532353224.db2.gz QNDYHKOJOWNQRK-UHFFFAOYSA-N 1 0 399.257 2.032 20 0 GEADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000189706071 532353310 /nfs/dbraw/zinc/35/33/10/532353310.db2.gz JQKYHSUWXSVFGQ-UHFFFAOYSA-N 1 0 382.917 2.124 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](C)CC1(O)CCOCC1 ZINC000189792612 532353723 /nfs/dbraw/zinc/35/37/23/532353723.db2.gz ZNZYHNRNTXSQDD-UHFFFAOYSA-N 1 0 375.296 2.425 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000189950863 532354211 /nfs/dbraw/zinc/35/42/11/532354211.db2.gz KPWRRXDFQOWHAB-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000189952602 532354259 /nfs/dbraw/zinc/35/42/59/532354259.db2.gz FHUCNIPMJNTNRM-CYBMUJFWSA-N 1 0 382.302 2.462 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000190075415 532354745 /nfs/dbraw/zinc/35/47/45/532354745.db2.gz RAHMXIDDLAQUKC-WCQYABFASA-N 1 0 380.286 2.391 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000190082573 532354791 /nfs/dbraw/zinc/35/47/91/532354791.db2.gz XPCZAYRYXBQDEN-SWLSCSKDSA-N 1 0 380.286 2.391 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000190108128 532354884 /nfs/dbraw/zinc/35/48/84/532354884.db2.gz QTSAYJPLYUWHQD-AWEZNQCLSA-N 1 0 386.539 2.482 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000190163252 532355031 /nfs/dbraw/zinc/35/50/31/532355031.db2.gz RFFZOVBCXXJBJM-UHFFFAOYSA-N 1 0 380.330 2.234 20 0 GEADRO C[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[N@@H+]1CCO ZINC000190248297 532355331 /nfs/dbraw/zinc/35/53/31/532355331.db2.gz DAMQNUICDGHMGJ-CYBMUJFWSA-N 1 0 379.302 2.338 20 0 GEADRO CSc1ccc(CN2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 ZINC000190290517 532355475 /nfs/dbraw/zinc/35/54/75/532355475.db2.gz SGQNDSXYMIPQNE-UHFFFAOYSA-N 1 0 377.535 2.378 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cc(C)c1Br ZINC000190523575 532356584 /nfs/dbraw/zinc/35/65/84/532356584.db2.gz LSOQAXFJKGEBPS-UHFFFAOYSA-N 1 0 382.302 2.462 20 0 GEADRO O=C(Nc1ccsc1Cl)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000191083392 532359519 /nfs/dbraw/zinc/35/95/19/532359519.db2.gz UGCMIOAUBLICGS-ZIAGYGMSSA-N 1 0 385.917 2.224 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000191203327 532359944 /nfs/dbraw/zinc/35/99/44/532359944.db2.gz WGXFBBPGVYCLQV-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO CCN(CC)C(=O)[C@@H](C)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191303236 532360336 /nfs/dbraw/zinc/36/03/36/532360336.db2.gz NHCYVGSJFCRPLT-LLVKDONJSA-N 1 0 379.452 2.326 20 0 GEADRO Cc1nc(CC2CC2)sc1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000191296734 532360392 /nfs/dbraw/zinc/36/03/92/532360392.db2.gz YGGDPLIQMLIDBO-GOSISDBHSA-N 1 0 381.567 2.342 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000187389495 532344359 /nfs/dbraw/zinc/34/43/59/532344359.db2.gz CDBKXBHGJMAKKL-LBPRGKRZSA-N 1 0 387.311 2.074 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000187553534 532344828 /nfs/dbraw/zinc/34/48/28/532344828.db2.gz OCHOXVMDGMUTLJ-KRWDZBQOSA-N 1 0 390.933 2.110 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000187599152 532344909 /nfs/dbraw/zinc/34/49/09/532344909.db2.gz MHTQMULZVHNTSL-HZPDHXFCSA-N 1 0 375.579 2.257 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000187708319 532345207 /nfs/dbraw/zinc/34/52/07/532345207.db2.gz XPADTJLKARYFJX-UHFFFAOYSA-N 1 0 375.803 2.433 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000187707524 532345285 /nfs/dbraw/zinc/34/52/85/532345285.db2.gz SLGFXBOLDXKPBT-UHFFFAOYSA-N 1 0 398.276 2.030 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCO1 ZINC000647235214 532372195 /nfs/dbraw/zinc/37/21/95/532372195.db2.gz RLZFOFPGHPCCOA-LRDDRELGSA-N 1 0 388.917 2.256 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCO1 ZINC000647235213 532372450 /nfs/dbraw/zinc/37/24/50/532372450.db2.gz RLZFOFPGHPCCOA-BLLLJJGKSA-N 1 0 388.917 2.256 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264189 532373057 /nfs/dbraw/zinc/37/30/57/532373057.db2.gz SXHINOWGLWJOFS-MFKMUULPSA-N 1 0 377.279 2.269 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000621959788 532373305 /nfs/dbraw/zinc/37/33/05/532373305.db2.gz FFIIWKKWHRAKIX-GOSISDBHSA-N 1 0 398.345 2.482 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)s1 ZINC000647267319 532373421 /nfs/dbraw/zinc/37/34/21/532373421.db2.gz ZBEAZLDRXRIJLO-ZDUSSCGKSA-N 1 0 381.523 2.095 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647264187 532373631 /nfs/dbraw/zinc/37/36/31/532373631.db2.gz SXHINOWGLWJOFS-GWCFXTLKSA-N 1 0 377.279 2.269 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)C1 ZINC000647266300 532373646 /nfs/dbraw/zinc/37/36/46/532373646.db2.gz LVYIFVHKCKBWID-QWRGUYRKSA-N 1 0 386.315 2.299 20 0 GEADRO COC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000515908932 532374089 /nfs/dbraw/zinc/37/40/89/532374089.db2.gz CENNLAQUCQDZTP-QGZVFWFLSA-N 1 0 399.285 2.024 20 0 GEADRO OC[C@H](CN1CCCCC1)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000647535777 532374623 /nfs/dbraw/zinc/37/46/23/532374623.db2.gz LTXMOUBJUFFZTF-KBPBESRZSA-N 1 0 377.312 2.170 20 0 GEADRO OCCCN1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000647529777 532375418 /nfs/dbraw/zinc/37/54/18/532375418.db2.gz BXSZZTWFUAPGSO-KBPBESRZSA-N 1 0 377.312 2.170 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Br)c(F)c3)[C@@H]2C1 ZINC000425213669 532375664 /nfs/dbraw/zinc/37/56/64/532375664.db2.gz HHEIGIZHSMFEKA-SWLSCSKDSA-N 1 0 391.306 2.444 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COc3ccc(Br)cc32)C1 ZINC000677541662 532376697 /nfs/dbraw/zinc/37/66/97/532376697.db2.gz SLYNKKDRGLQCSV-UKRRQHHQSA-N 1 0 383.286 2.152 20 0 GEADRO CC(C)n1cc(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000463555729 532377278 /nfs/dbraw/zinc/37/72/78/532377278.db2.gz RHZVORMAGNBLCU-CYBMUJFWSA-N 1 0 399.333 2.149 20 0 GEADRO C[N@@H+]1CCCN(CCCNC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000677551900 532377320 /nfs/dbraw/zinc/37/73/20/532377320.db2.gz KIUQOARFPUHSDS-INIZCTEOSA-N 1 0 396.329 2.069 20 0 GEADRO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372229315 532378342 /nfs/dbraw/zinc/37/83/42/532378342.db2.gz URVBRSDWGYQVHN-KBPBESRZSA-N 1 0 392.297 2.452 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000191453843 532360969 /nfs/dbraw/zinc/36/09/69/532360969.db2.gz TZRXLHSPZDMWJA-ZBEGNZNMSA-N 1 0 388.306 2.131 20 0 GEADRO Cc1ccc(S(=O)(=O)NCCNCc2ccc(Br)o2)s1 ZINC000191448959 532361028 /nfs/dbraw/zinc/36/10/28/532361028.db2.gz TTZCNXFKFVLWAC-UHFFFAOYSA-N 1 0 379.301 2.480 20 0 GEADRO CCCS(=O)(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191563977 532361336 /nfs/dbraw/zinc/36/13/36/532361336.db2.gz KZUNCWVQMPOJLV-UHFFFAOYSA-N 1 0 390.347 2.348 20 0 GEADRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191615229 532361562 /nfs/dbraw/zinc/36/15/62/532361562.db2.gz CMQNKAAVVMTENH-UHFFFAOYSA-N 1 0 384.318 2.229 20 0 GEADRO COc1ncc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1Br ZINC000515414428 532363139 /nfs/dbraw/zinc/36/31/39/532363139.db2.gz DJADNCUGZAYAHO-UHFFFAOYSA-N 1 0 398.301 2.228 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000647003755 532363196 /nfs/dbraw/zinc/36/31/96/532363196.db2.gz AKCJNPMFKVXITL-IOASZLSFSA-N 1 0 394.313 2.388 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000589892735 532363377 /nfs/dbraw/zinc/36/33/77/532363377.db2.gz DLKPNTVLWWZJIA-HNNXBMFYSA-N 1 0 386.901 2.279 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3Br)C1)C2 ZINC000621696975 532364079 /nfs/dbraw/zinc/36/40/79/532364079.db2.gz XRWAYUWZFNYHQQ-VBHSOAQHSA-N 1 0 392.297 2.142 20 0 GEADRO [NH3+]C1(CNC(=O)c2cc(Br)c[nH]c2=O)C2CC3CC(C2)CC1C3 ZINC000621664991 532364654 /nfs/dbraw/zinc/36/46/54/532364654.db2.gz NCIVZOZSKKOBLX-UHFFFAOYSA-N 1 0 380.286 2.433 20 0 GEADRO CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000621660741 532364933 /nfs/dbraw/zinc/36/49/33/532364933.db2.gz VDEGIIZGHTTWFR-LRDDRELGSA-N 1 0 382.302 2.214 20 0 GEADRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc(Br)c[nH]c2=O)C[C@@H](C)O1 ZINC000621723898 532365742 /nfs/dbraw/zinc/36/57/42/532365742.db2.gz ULEPIBFDMXONRY-YRGRVCCFSA-N 1 0 398.301 2.264 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000590003556 532365783 /nfs/dbraw/zinc/36/57/83/532365783.db2.gz YMLZSGYHGMTSBB-GFCCVEGCSA-N 1 0 382.302 2.306 20 0 GEADRO Cc1c(Br)cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c(=O)n1C ZINC000277888270 532366217 /nfs/dbraw/zinc/36/62/17/532366217.db2.gz SUYSTPWGGQTPHF-UHFFFAOYSA-N 1 0 384.318 2.308 20 0 GEADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc(Br)c(F)c2)C1=O ZINC000372007297 532366476 /nfs/dbraw/zinc/36/64/76/532366476.db2.gz UBZPBXQPUXIKBK-BDJLRTHQSA-N 1 0 384.249 2.398 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN(Cc1cc(Br)ccc1F)C1CC1 ZINC000515495068 532366381 /nfs/dbraw/zinc/36/63/81/532366381.db2.gz DFRQQIVNPPNCTO-INIZCTEOSA-N 1 0 389.309 2.492 20 0 GEADRO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000277945821 532366990 /nfs/dbraw/zinc/36/69/90/532366990.db2.gz RHAZOMMOPPPDMV-CYBMUJFWSA-N 1 0 376.906 2.128 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000515522733 532367099 /nfs/dbraw/zinc/36/70/99/532367099.db2.gz AUIYIKLOACZXNM-WFASDCNBSA-N 1 0 380.286 2.277 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2c(F)cc(C)cc2F)C1 ZINC000425173497 532367288 /nfs/dbraw/zinc/36/72/88/532367288.db2.gz BELSATQJSWVTFL-AWEZNQCLSA-N 1 0 376.469 2.395 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2c(F)cc(C)cc2F)C1 ZINC000425173499 532367727 /nfs/dbraw/zinc/36/77/27/532367727.db2.gz BELSATQJSWVTFL-CQSZACIVSA-N 1 0 376.469 2.395 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000677196745 532367887 /nfs/dbraw/zinc/36/78/87/532367887.db2.gz VEMQFXWDYWFXPQ-CZUORRHYSA-N 1 0 381.929 2.408 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000425172779 532368115 /nfs/dbraw/zinc/36/81/15/532368115.db2.gz ZXOMCGGALWPOBX-KZNAEPCWSA-N 1 0 386.945 2.396 20 0 GEADRO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1N)C(=O)N(C)C ZINC000191806172 532368163 /nfs/dbraw/zinc/36/81/63/532368163.db2.gz HCGYKQBCSYFIQC-ZETCQYMHSA-N 1 0 379.096 2.360 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ncc1Br ZINC000278014018 532369189 /nfs/dbraw/zinc/36/91/89/532369189.db2.gz BZNZADBOFXJVAY-ZDUSSCGKSA-N 1 0 395.301 2.224 20 0 GEADRO CC1(C)CCC[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000191850104 532369800 /nfs/dbraw/zinc/36/98/00/532369800.db2.gz PAEPIZLFKXRTRP-GDBMZVCRSA-N 1 0 384.567 2.432 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000557597853 532370031 /nfs/dbraw/zinc/37/00/31/532370031.db2.gz QODRAINABJNZIG-CHWSQXEVSA-N 1 0 398.301 2.199 20 0 GEADRO OC[C@H]1C[N@H+](C[C@@H](O)COc2cccc(Br)c2)CCC1(F)F ZINC000463227281 532370422 /nfs/dbraw/zinc/37/04/22/532370422.db2.gz FMJQEUBRAXFKKC-DGCLKSJQSA-N 1 0 380.229 2.138 20 0 GEADRO O=S(=O)(NCCc1nc([C@@H]2CCC[NH2+]2)no1)c1c(Cl)cccc1Cl ZINC000647154568 532370613 /nfs/dbraw/zinc/37/06/13/532370613.db2.gz DKJNKVUEURJJKY-NSHDSACASA-N 1 0 391.280 2.322 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372111674 532371495 /nfs/dbraw/zinc/37/14/95/532371495.db2.gz WEUQTCQBOFTBBG-JKSUJKDBSA-N 1 0 385.277 2.188 20 0 GEADRO NC(=O)[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(Br)c1 ZINC000463246866 532371489 /nfs/dbraw/zinc/37/14/89/532371489.db2.gz XPVFDVAEMQQAOJ-AWEZNQCLSA-N 1 0 376.245 2.295 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000647255744 532371574 /nfs/dbraw/zinc/37/15/74/532371574.db2.gz OANSXWTYZFYNMZ-UKRRQHHQSA-N 1 0 390.933 2.372 20 0 GEADRO O=C(N[C@H]1CCc2c1cccc2Br)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000372103027 532371713 /nfs/dbraw/zinc/37/17/13/532371713.db2.gz PXRFYOBKCIBXJP-GTCHNVEASA-N 1 0 377.282 2.367 20 0 GEADRO NC(=O)[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(Br)c1 ZINC000463246867 532371911 /nfs/dbraw/zinc/37/19/11/532371911.db2.gz XPVFDVAEMQQAOJ-CQSZACIVSA-N 1 0 376.245 2.295 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000647254466 532371951 /nfs/dbraw/zinc/37/19/51/532371951.db2.gz PNKIBXDQOMSXNF-UHFFFAOYSA-N 1 0 376.320 2.017 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647250674 532371991 /nfs/dbraw/zinc/37/19/91/532371991.db2.gz QIIVLDFPZFGDOR-WDEREUQCSA-N 1 0 386.315 2.312 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000677598993 532378824 /nfs/dbraw/zinc/37/88/24/532378824.db2.gz MKMHKSHFFRIWMG-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[NH+]2CCC1CC2 ZINC000516105649 532379346 /nfs/dbraw/zinc/37/93/46/532379346.db2.gz JUPUBNVYDPAZQI-CQSZACIVSA-N 1 0 378.270 2.182 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)CCOc2cccc(I)c2)C1 ZINC000278421664 532379971 /nfs/dbraw/zinc/37/99/71/532379971.db2.gz IOXBHRBGFQTZLZ-LBPRGKRZSA-N 1 0 388.249 2.128 20 0 GEADRO O=C(CCCOc1ccccc1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707005 532380333 /nfs/dbraw/zinc/38/03/33/532380333.db2.gz UWHVVNUUJAMFDO-HUUCEWRRSA-N 1 0 397.313 2.276 20 0 GEADRO CN1Cc2ccccc2[C@H](NC(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000372295978 532381363 /nfs/dbraw/zinc/38/13/63/532381363.db2.gz BSTALNZKEQPPRH-OAHLLOKOSA-N 1 0 391.269 2.456 20 0 GEADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000516178834 532381925 /nfs/dbraw/zinc/38/19/25/532381925.db2.gz JBLTYJBFSFBMNX-HZPDHXFCSA-N 1 0 394.313 2.371 20 0 GEADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc(F)ccc2Br)C1=O ZINC000677749097 532382730 /nfs/dbraw/zinc/38/27/30/532382730.db2.gz FKLSXCSNLDSKIX-BDJLRTHQSA-N 1 0 384.249 2.398 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2Cc1nnnn1-c1ccccc1Br ZINC000516313871 532384341 /nfs/dbraw/zinc/38/43/41/532384341.db2.gz YGQFGYQBFMPUAD-UHFFFAOYSA-N 1 0 377.290 2.128 20 0 GEADRO OC[C@H]1CCCN1Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1CO ZINC000192072928 532384456 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Cc1cc(I)ccc1NC(=O)CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591449630 532412951 /nfs/dbraw/zinc/41/29/51/532412951.db2.gz YUPHUFYQAZUSAT-DOMZBBRYSA-N 1 0 399.276 2.222 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000192820334 532413883 /nfs/dbraw/zinc/41/38/83/532413883.db2.gz HIMYNAAEDHZBEV-VXGBXAGGSA-N 1 0 376.906 2.460 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@H]1[NH+](C)C ZINC000465285233 532414007 /nfs/dbraw/zinc/41/40/07/532414007.db2.gz MODPZDZSNYVZIC-BXUZGUMPSA-N 1 0 380.290 2.188 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000517391400 532414543 /nfs/dbraw/zinc/41/45/43/532414543.db2.gz MRGXEPYKEZYEGW-CYBMUJFWSA-N 1 0 382.302 2.027 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCCN(CCCO)C3)cnc12 ZINC000295178964 532414502 /nfs/dbraw/zinc/41/45/02/532414502.db2.gz VLIXBZLRARZZJG-OAHLLOKOSA-N 1 0 381.318 2.342 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)c1F ZINC000192987346 532414505 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CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@@H]32)ccc1Cl ZINC000681712198 532435715 /nfs/dbraw/zinc/43/57/15/532435715.db2.gz QNILYAMQHYZBOR-DOMZBBRYSA-N 1 0 385.917 2.403 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000626163162 532435705 /nfs/dbraw/zinc/43/57/05/532435705.db2.gz GCEFYVOFVQQKBT-LBPRGKRZSA-N 1 0 375.416 2.146 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000626163161 532435898 /nfs/dbraw/zinc/43/58/98/532435898.db2.gz GCEFYVOFVQQKBT-GFCCVEGCSA-N 1 0 375.416 2.146 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1Br ZINC000373172270 532436615 /nfs/dbraw/zinc/43/66/15/532436615.db2.gz APWIHSIMKVUEIL-IUODEOHRSA-N 1 0 382.302 2.025 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000592045332 532436726 /nfs/dbraw/zinc/43/67/26/532436726.db2.gz DXIDAQZRGKZNRK-STQMWFEESA-N 1 0 395.472 2.301 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000592045329 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386.309 2.275 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000281856360 532440559 /nfs/dbraw/zinc/44/05/59/532440559.db2.gz VAGJTERFQMGBLT-UHFFFAOYSA-N 1 0 386.309 2.273 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428029930 532440660 /nfs/dbraw/zinc/44/06/60/532440660.db2.gz GELXLWSDYVWLLW-TYNCELHUSA-N 1 0 399.276 2.302 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428029743 532441483 /nfs/dbraw/zinc/44/14/83/532441483.db2.gz BDTRBVQYUDGCDS-XUJVJEKNSA-N 1 0 399.276 2.302 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428039641 532441361 /nfs/dbraw/zinc/44/13/61/532441361.db2.gz SNDWKPBOHKJWOG-KMFMINBZSA-N 1 0 380.330 2.480 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c(Br)c1 ZINC000427953077 532437293 /nfs/dbraw/zinc/43/72/93/532437293.db2.gz UBSPELGIFNKCEC-JTQLQIEISA-N 1 0 393.303 2.032 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCCCC(=O)N1 ZINC000193940670 532437370 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2.071 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000626846563 532443176 /nfs/dbraw/zinc/44/31/76/532443176.db2.gz LOAVVUMSHILWFG-GFCCVEGCSA-N 1 0 375.803 2.336 20 0 GEADRO C[NH+](C)CCc1ccc(CNC(=O)CCn2cc(Br)cn2)cc1 ZINC000682428508 532445632 /nfs/dbraw/zinc/44/56/32/532445632.db2.gz WHIBXDPQBDQGSW-UHFFFAOYSA-N 1 0 379.302 2.456 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000626847731 532443611 /nfs/dbraw/zinc/44/36/11/532443611.db2.gz YHZBMKKSUGESCW-AWEZNQCLSA-N 1 0 398.301 2.161 20 0 GEADRO CC[NH+](CC)C[C@@H](C)Nc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000428110529 532443626 /nfs/dbraw/zinc/44/36/26/532443626.db2.gz HTKRKQQZXIFFSH-SECBINFHSA-N 1 0 382.299 2.378 20 0 GEADRO C=Cn1cc(C[NH2+]C[C@H](O)COc2ccc(I)cc2)cn1 ZINC000194285709 532445121 /nfs/dbraw/zinc/44/51/21/532445121.db2.gz ILWUZTBVURPGMI-AWEZNQCLSA-N 1 0 399.232 2.118 20 0 GEADRO CC[N@@H+]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000682186145 532442018 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O=C(c1c(F)ccc(Br)c1F)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627265059 532448428 /nfs/dbraw/zinc/44/84/28/532448428.db2.gz CZKIPBONCCHEQE-VHSXEESVSA-N 1 0 375.213 2.008 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)NC[C@@H]1CCCC[N@H+]1CCO ZINC000650596528 532449753 /nfs/dbraw/zinc/44/97/53/532449753.db2.gz JGHIXUWEVNJMFN-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO CC[C@H]1CN(C(=O)c2ccc(OC)cc2I)CC[C@H]1[NH3+] ZINC000592333365 532450883 /nfs/dbraw/zinc/45/08/83/532450883.db2.gz YGGITKZJNASEAN-IINYFYTJSA-N 1 0 388.249 2.499 20 0 GEADRO Cc1c(Br)ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1F ZINC000194787831 532457166 /nfs/dbraw/zinc/45/71/66/532457166.db2.gz JDSAQSODZLGKRL-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC000428427257 532453229 /nfs/dbraw/zinc/45/32/29/532453229.db2.gz RCCKLHMVJUUQJZ-NEPJUHHUSA-N 1 0 380.539 2.456 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295506586 532455164 /nfs/dbraw/zinc/45/51/64/532455164.db2.gz POJGDKFJEHZFSD-ZIAGYGMSSA-N 1 0 385.302 2.179 20 0 GEADRO Cc1c(Br)cccc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428629944 532456119 /nfs/dbraw/zinc/45/61/19/532456119.db2.gz VZOAEELFEPQVHV-AWEZNQCLSA-N 1 0 394.313 2.042 20 0 GEADRO [NH3+]CCc1nc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cs1 ZINC000194789844 532457681 /nfs/dbraw/zinc/45/76/81/532457681.db2.gz MAZCNBMRBDATEU-SECBINFHSA-N 1 0 390.292 2.121 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000428794444 532461961 /nfs/dbraw/zinc/46/19/61/532461961.db2.gz RTFMRMKDKMYCLD-JTQLQIEISA-N 1 0 398.248 2.239 20 0 GEADRO O=S(=O)(NCCC[NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1Cl ZINC000519142970 532458269 /nfs/dbraw/zinc/45/82/69/532458269.db2.gz GYZHUWCTVBFRIV-MRXNPFEDSA-N 1 0 382.913 2.202 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](OC)C1CC1 ZINC000295582889 532461061 /nfs/dbraw/zinc/46/10/61/532461061.db2.gz BOZCROGYAXGNSS-BZNIZROVSA-N 1 0 385.302 2.477 20 0 GEADRO C[N@H+](C[C@H](O)CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000519371139 532461134 /nfs/dbraw/zinc/46/11/34/532461134.db2.gz CBTFZYUIKGACNW-AWEZNQCLSA-N 1 0 386.323 2.206 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000468302518 532461434 /nfs/dbraw/zinc/46/14/34/532461434.db2.gz IQHSBWWXDFSQNX-CYBMUJFWSA-N 1 0 384.318 2.272 20 0 GEADRO COC(=O)Cn1cc(C[NH2+][C@@H](C)Cc2ccc(F)c(Br)c2)nn1 ZINC000295610677 532463524 /nfs/dbraw/zinc/46/35/24/532463524.db2.gz GILNBICDIDNRMQ-JTQLQIEISA-N 1 0 385.237 2.074 20 0 GEADRO CCOc1c(Br)cc(C[NH2+][C@@H]2COC[C@H]2O)cc1Br ZINC000295610724 532463588 /nfs/dbraw/zinc/46/35/88/532463588.db2.gz NTVVODOVPDJBME-VXGBXAGGSA-N 1 0 395.091 2.460 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000428904127 532465210 /nfs/dbraw/zinc/46/52/10/532465210.db2.gz YNNDOUFNCDULJK-ZDUSSCGKSA-N 1 0 385.555 2.122 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@H]1C ZINC000428941007 532465792 /nfs/dbraw/zinc/46/57/92/532465792.db2.gz SWYYDMYSGMNFOA-CHWSQXEVSA-N 1 0 387.933 2.368 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000468459964 532465856 /nfs/dbraw/zinc/46/58/56/532465856.db2.gz JSDBOTCDKVIMKE-HNNXBMFYSA-N 1 0 396.329 2.416 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000373733738 532466501 /nfs/dbraw/zinc/46/65/01/532466501.db2.gz ZCXYAGILRSXPOJ-DZGCQCFKSA-N 1 0 382.917 2.405 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)NCc2ccc(S(C)(=O)=O)s2)([NH+](C)C)C1 ZINC000468533436 532466560 /nfs/dbraw/zinc/46/65/60/532466560.db2.gz VIJGUYCCJNFLJT-CXAGYDPISA-N 1 0 387.571 2.461 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CCC[N@@H+]1C ZINC000428973425 532466688 /nfs/dbraw/zinc/46/66/88/532466688.db2.gz YQBMKXAAGCYPOL-UNEWFSDZSA-N 1 0 398.345 2.382 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000683889057 532466789 /nfs/dbraw/zinc/46/67/89/532466789.db2.gz IXHWBANAYNZVMC-CJNGLKHVSA-N 1 0 396.329 2.380 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195097848 532466993 /nfs/dbraw/zinc/46/69/93/532466993.db2.gz ZWKMUGNUXVUSAW-INIZCTEOSA-N 1 0 394.313 2.266 20 0 GEADRO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000295656382 532468012 /nfs/dbraw/zinc/46/80/12/532468012.db2.gz DNXJSHNEUVIXAR-AXFHLTTASA-N 1 0 376.238 2.225 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000429327049 532473430 /nfs/dbraw/zinc/47/34/30/532473430.db2.gz IIHQJUJNOQBVON-SWLSCSKDSA-N 1 0 382.302 2.024 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000468545676 532468561 /nfs/dbraw/zinc/46/85/61/532468561.db2.gz ZKRMSRDRXQDGPW-MJBXVCDLSA-N 1 0 387.571 2.317 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000428981266 532468702 /nfs/dbraw/zinc/46/87/02/532468702.db2.gz YMHXVMKMYUVTIJ-GFCCVEGCSA-N 1 0 384.307 2.339 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000295693234 532468928 /nfs/dbraw/zinc/46/89/28/532468928.db2.gz LYCNRNICGVKITB-KCPJHIHWSA-N 1 0 385.302 2.356 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ncnc2cc(Br)sc21 ZINC000651360135 532469228 /nfs/dbraw/zinc/46/92/28/532469228.db2.gz RGNLHDOGYUJUPV-SECBINFHSA-N 1 0 384.303 2.010 20 0 GEADRO C[N@H+](CC(=O)NC[C@@H]1CSCCN1Cc1ccccc1)[C@H]1CCSC1 ZINC000429049890 532469369 /nfs/dbraw/zinc/46/93/69/532469369.db2.gz XFCLLEFPJAGSND-ZWKOTPCHSA-N 1 0 379.595 2.158 20 0 GEADRO O=C([C@@H]1CCC[NH2+]C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000195127523 532470692 /nfs/dbraw/zinc/47/06/92/532470692.db2.gz IXKMEJSXVVBJSN-LLVKDONJSA-N 1 0 376.810 2.402 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(Br)cc1 ZINC000429171540 532471478 /nfs/dbraw/zinc/47/14/78/532471478.db2.gz NULSHJNTHRXEJY-XFBWCDHKSA-N 1 0 382.302 2.212 20 0 GEADRO CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCNC1=O ZINC000282508265 532472441 /nfs/dbraw/zinc/47/24/41/532472441.db2.gz XFQGZPRRABLEED-AAEUAGOBSA-N 1 0 391.693 2.053 20 0 GEADRO [NH3+]CCn1cc(C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)nn1 ZINC000519641498 532472650 /nfs/dbraw/zinc/47/26/50/532472650.db2.gz DGCWBELNHCLYMV-HNNXBMFYSA-N 1 0 392.301 2.237 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000429447448 532476606 /nfs/dbraw/zinc/47/66/06/532476606.db2.gz HQHTZUINRLQIKQ-JTQLQIEISA-N 1 0 385.864 2.424 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000429432285 532477031 /nfs/dbraw/zinc/47/70/31/532477031.db2.gz ULCUHWUREGLVJQ-OCCSQVGLSA-N 1 0 378.332 2.013 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000519760040 532477183 /nfs/dbraw/zinc/47/71/83/532477183.db2.gz OOFJTIGUDYXRFT-GXTWGEPZSA-N 1 0 389.279 2.393 20 0 GEADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCNS(=O)(=O)NC(C)C ZINC000429421896 532477302 /nfs/dbraw/zinc/47/73/02/532477302.db2.gz GCQIHPQEDVTEKT-HNNXBMFYSA-N 1 0 375.922 2.284 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000195480168 532478170 /nfs/dbraw/zinc/47/81/70/532478170.db2.gz OSEODNMPPKFDPK-UHFFFAOYSA-N 1 0 396.285 2.139 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373916460 532478707 /nfs/dbraw/zinc/47/87/07/532478707.db2.gz DXWKFMGPOCCCQZ-CQSZACIVSA-N 1 0 395.301 2.260 20 0 GEADRO C[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000684358867 532479241 /nfs/dbraw/zinc/47/92/41/532479241.db2.gz UYAUNPFLYSGEGE-ZDUSSCGKSA-N 1 0 398.349 2.230 20 0 GEADRO CN1CCN([C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c2cccs2)CC1 ZINC000562736768 532480026 /nfs/dbraw/zinc/48/00/26/532480026.db2.gz DXUVUWBCXPWLPR-HNNXBMFYSA-N 1 0 399.607 2.291 20 0 GEADRO C[N@H+](CCCNC(=O)C1CCC1)C[C@H](O)COc1ccc(Br)cc1 ZINC000429555394 532480148 /nfs/dbraw/zinc/48/01/48/532480148.db2.gz MGJSLDUGZJDHBQ-INIZCTEOSA-N 1 0 399.329 2.427 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000373937593 532480762 /nfs/dbraw/zinc/48/07/62/532480762.db2.gz JRRPSJFDZBIIJO-GFCCVEGCSA-N 1 0 381.420 2.128 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)NCCC[NH+](C)C ZINC000684652133 532480856 /nfs/dbraw/zinc/48/08/56/532480856.db2.gz NDBPPUKZXLWINK-UHFFFAOYSA-N 1 0 395.305 2.123 20 0 GEADRO CC1CC[NH+]([C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c2cccs2)CC1 ZINC000593293432 532481470 /nfs/dbraw/zinc/48/14/70/532481470.db2.gz DEHXVZAJNFLQGI-PWKYJQNUSA-N 1 0 381.567 2.436 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000429615527 532482070 /nfs/dbraw/zinc/48/20/70/532482070.db2.gz ZWDDMYABKNDFEB-LSDHHAIUSA-N 1 0 387.571 2.123 20 0 GEADRO O=C1[C@@H](NCc2cn(-c3ccccc3Br)nn2)C[C@@H]2CCCCN12 ZINC000562805195 532483515 /nfs/dbraw/zinc/48/35/15/532483515.db2.gz NXVHCCDNHGUCST-ZFWWWQNUSA-N 1 0 390.285 2.273 20 0 GEADRO C[C@@H](CC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000429932805 532484550 /nfs/dbraw/zinc/48/45/50/532484550.db2.gz VFMCZUKDTVPHDY-ZBEGNZNMSA-N 1 0 382.302 2.118 20 0 GEADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469005429 532484931 /nfs/dbraw/zinc/48/49/31/532484931.db2.gz PJJHSYQPFHDSDX-UHFFFAOYSA-N 1 0 390.933 2.111 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000562813324 532484983 /nfs/dbraw/zinc/48/49/83/532484983.db2.gz BGAQANOOKMBZOK-QGZVFWFLSA-N 1 0 385.917 2.029 20 0 GEADRO O=C1CO[C@H]2CCN(Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]2N1 ZINC000374046501 532487023 /nfs/dbraw/zinc/48/70/23/532487023.db2.gz VPWKZGANMTUZRX-GJZGRUSLSA-N 1 0 392.253 2.193 20 0 GEADRO COCC[C@]1(C(=O)NC[C@H](C)Oc2ccccc2Br)CC[NH2+]C1 ZINC000430006817 532487061 /nfs/dbraw/zinc/48/70/61/532487061.db2.gz FVMUXHFQRNIHFU-SUMWQHHRSA-N 1 0 385.302 2.349 20 0 GEADRO COCC[C@@]1(C(=O)NC[C@H](C)Oc2ccccc2Br)CC[NH2+]C1 ZINC000430006813 532487421 /nfs/dbraw/zinc/48/74/21/532487421.db2.gz FVMUXHFQRNIHFU-GUYCJALGSA-N 1 0 385.302 2.349 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000651689586 532487779 /nfs/dbraw/zinc/48/77/79/532487779.db2.gz BJKQIQUJBLGWIA-CYBMUJFWSA-N 1 0 383.290 2.080 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(Br)c1F ZINC000684907860 532487764 /nfs/dbraw/zinc/48/77/64/532487764.db2.gz RHTAOSTTZXYXTL-LLVKDONJSA-N 1 0 377.279 2.351 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)c1cnc2n(c1=O)CCS2)c1ccc(Cl)cc1 ZINC000282674292 532487831 /nfs/dbraw/zinc/48/78/31/532487831.db2.gz ARQBZWQQNZEQAE-CQSZACIVSA-N 1 0 378.885 2.035 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)c1cnc2n(c1=O)CCS2)c1ccc(Cl)cc1 ZINC000282674288 532488030 /nfs/dbraw/zinc/48/80/30/532488030.db2.gz ARQBZWQQNZEQAE-AWEZNQCLSA-N 1 0 378.885 2.035 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(I)ccc2O)C1 ZINC000225595119 532488217 /nfs/dbraw/zinc/48/82/17/532488217.db2.gz MHXYQSLUOSARKE-LLVKDONJSA-N 1 0 388.249 2.457 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000469040166 532488318 /nfs/dbraw/zinc/48/83/18/532488318.db2.gz MWLYAZMCLVOTEN-UKRRQHHQSA-N 1 0 390.933 2.468 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCc2ccsc2Br)CC1 ZINC000282679206 532488346 /nfs/dbraw/zinc/48/83/46/532488346.db2.gz HRCAYPONXLUPBA-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO Cn1ccnc1[C@@H]1N(C(=O)c2nccn3c(Br)cnc23)CC1(C)C ZINC000295931284 532488469 /nfs/dbraw/zinc/48/84/69/532488469.db2.gz PLUGRQWIYBATHR-LBPRGKRZSA-N 1 0 389.257 2.449 20 0 GEADRO Cn1ccnc1[C@H]1N(C(=O)c2nccn3c(Br)cnc23)CC1(C)C ZINC000295931276 532488792 /nfs/dbraw/zinc/48/87/92/532488792.db2.gz PLUGRQWIYBATHR-GFCCVEGCSA-N 1 0 389.257 2.449 20 0 GEADRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Br)ncc1F ZINC000282706923 532489401 /nfs/dbraw/zinc/48/94/01/532489401.db2.gz LDRDOHZMFSDNEV-LLVKDONJSA-N 1 0 377.254 2.192 20 0 GEADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000520409439 532491334 /nfs/dbraw/zinc/49/13/34/532491334.db2.gz KDXNFUBUTONHKR-HUUCEWRRSA-N 1 0 396.329 2.473 20 0 GEADRO CS[C@H]1CN(C(=O)C2(c3cncc(Br)c3)CC2)C[C@H]1[NH+](C)C ZINC000282722134 532491880 /nfs/dbraw/zinc/49/18/80/532491880.db2.gz LSOOXZDONTTYPW-KGLIPLIRSA-N 1 0 384.343 2.380 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)C[C@H]2C1 ZINC000562984968 532492008 /nfs/dbraw/zinc/49/20/08/532492008.db2.gz VNVZMZYWEBWPID-BETUJISGSA-N 1 0 380.279 2.267 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651734031 532492284 /nfs/dbraw/zinc/49/22/84/532492284.db2.gz ZONDBEYUNSUNKB-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000236665156 532492312 /nfs/dbraw/zinc/49/23/12/532492312.db2.gz DSSRLGMGULRQRC-BBRMVZONSA-N 1 0 394.313 2.170 20 0 GEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000629414075 532492423 /nfs/dbraw/zinc/49/24/23/532492423.db2.gz HEDJGTZYWIJYAC-UHFFFAOYSA-N 1 0 398.301 2.267 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000469144943 532492672 /nfs/dbraw/zinc/49/26/72/532492672.db2.gz KZERDZGJCPVWNZ-UHFFFAOYSA-N 1 0 385.511 2.018 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000236680926 532493053 /nfs/dbraw/zinc/49/30/53/532493053.db2.gz QNOXZZKFCNTCQJ-NHYWBVRUSA-N 1 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ZINC000236731368 532495162 /nfs/dbraw/zinc/49/51/62/532495162.db2.gz KJLZIWKETYOHKF-NVXWUHKLSA-N 1 0 382.302 2.260 20 0 GEADRO Cc1c([C@@H](C)NCCOCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000629538616 532495193 /nfs/dbraw/zinc/49/51/93/532495193.db2.gz MRPSETGGRNVCLN-GFCCVEGCSA-N 1 0 382.306 2.354 20 0 GEADRO Cc1c([C@@H](C)NCC2([NH3+])CCOCC2)nnn1-c1cccc(Br)c1 ZINC000629521964 532495312 /nfs/dbraw/zinc/49/53/12/532495312.db2.gz UDZDXLFEMBIVPT-GFCCVEGCSA-N 1 0 394.317 2.497 20 0 GEADRO O=C(COc1ccc2cc(Br)ccc2c1)NCCN1CC[NH2+]CC1 ZINC000236762606 532496139 /nfs/dbraw/zinc/49/61/39/532496139.db2.gz TVKQVPZDSSQCEM-UHFFFAOYSA-N 1 0 392.297 2.003 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ncsc3Br)C2)CC1 ZINC000519661210 532473962 /nfs/dbraw/zinc/47/39/62/532473962.db2.gz CBYSWZRBNDWRBN-GFCCVEGCSA-N 1 0 387.347 2.146 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000429417542 532474592 /nfs/dbraw/zinc/47/45/92/532474592.db2.gz GYTNNRGXSOWVLD-GXTWGEPZSA-N 1 0 378.332 2.013 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc[nH]c(=O)c2Br)C[C@H](C)O1 ZINC000468806237 532475203 /nfs/dbraw/zinc/47/52/03/532475203.db2.gz CTXOAYPIIGAPNH-XQQFMLRXSA-N 1 0 398.301 2.264 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)cc2[nH]cnc21 ZINC000282545221 532476099 /nfs/dbraw/zinc/47/60/99/532476099.db2.gz RGVJNVCJZWUKPS-CYBMUJFWSA-N 1 0 395.301 2.292 20 0 GEADRO O=C(NC[C@@H](O)C(F)(F)F)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684292862 532476140 /nfs/dbraw/zinc/47/61/40/532476140.db2.gz QVIYJJNYIZQOSU-VQXHTEKXSA-N 1 0 377.329 2.014 20 0 GEADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000282530787 532476328 /nfs/dbraw/zinc/47/63/28/532476328.db2.gz QFXLWANGPGYOAO-LBPRGKRZSA-N 1 0 393.285 2.120 20 0 GEADRO O=C(c1cccc(F)c1Br)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000562639957 532476326 /nfs/dbraw/zinc/47/63/26/532476326.db2.gz UXJBJBMCLAPJAF-GFCCVEGCSA-N 1 0 398.276 2.015 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000652092180 532502571 /nfs/dbraw/zinc/50/25/71/532502571.db2.gz FBPOSNBVQUYHHS-CABCVRRESA-N 1 0 397.313 2.278 20 0 GEADRO CC[NH2+]CCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000237009233 532502524 /nfs/dbraw/zinc/50/25/24/532502524.db2.gz MIIUAZKHXWHAJH-UHFFFAOYSA-N 1 0 378.274 2.247 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2ccc(C)c(I)c2)C[C@H]1C[NH3+] ZINC000593916109 532502605 /nfs/dbraw/zinc/50/26/05/532502605.db2.gz AUWJBVAXYKFAKJ-TZMCWYRMSA-N 1 0 388.249 2.035 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629786066 532502895 /nfs/dbraw/zinc/50/28/95/532502895.db2.gz JRNSINNXUXQZNE-KOLCDFICSA-N 1 0 397.850 2.346 20 0 GEADRO CN(CC(=O)N1CCC([NH2+]CC2CC2)CC1)C(=O)c1ccc(Br)o1 ZINC000237048443 532503146 /nfs/dbraw/zinc/50/31/46/532503146.db2.gz PWXTXJRQVAJKLL-UHFFFAOYSA-N 1 0 398.301 2.105 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000296388367 532518820 /nfs/dbraw/zinc/51/88/20/532518820.db2.gz JYXYKTXBNNLMJZ-CABCVRRESA-N 1 0 392.290 2.179 20 0 GEADRO COc1ccc(C(=O)NCCC2CC[NH2+]CC2)c(I)c1 ZINC000593919036 532503277 /nfs/dbraw/zinc/50/32/77/532503277.db2.gz MBYSASCYOTYGLT-UHFFFAOYSA-N 1 0 388.249 2.419 20 0 GEADRO O=C(CCOc1ccc(Cl)cc1Br)NCC[N@H+]1CC[C@H](O)C1 ZINC000629912697 532503377 /nfs/dbraw/zinc/50/33/77/532503377.db2.gz LLXHQEQWATUAOC-LBPRGKRZSA-N 1 0 391.693 2.054 20 0 GEADRO CCOc1ccc(Br)cc1CN(C(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000237073678 532503464 /nfs/dbraw/zinc/50/34/64/532503464.db2.gz LHISRQQGNCEXPR-INIZCTEOSA-N 1 0 383.286 2.327 20 0 GEADRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@@H](O)C(F)(F)F ZINC000521044411 532503411 /nfs/dbraw/zinc/50/34/11/532503411.db2.gz YQMLSLBCRWNNKA-WCFLWFBJSA-N 1 0 386.208 2.480 20 0 GEADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000237053197 532503583 /nfs/dbraw/zinc/50/35/83/532503583.db2.gz PKTANFPDRXKLSX-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)NCCc2ccccc2Br)CC1 ZINC000652141973 532503685 /nfs/dbraw/zinc/50/36/85/532503685.db2.gz DYEYKHVIKZFKEW-UHFFFAOYSA-N 1 0 384.318 2.402 20 0 GEADRO C[NH+](C)C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000652117567 532503730 /nfs/dbraw/zinc/50/37/30/532503730.db2.gz JPIUCXCHBIWRDN-CQSZACIVSA-N 1 0 384.885 2.412 20 0 GEADRO CCO[C@@H]1CN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000652140204 532503786 /nfs/dbraw/zinc/50/37/86/532503786.db2.gz HVNDUFFFJKRBLE-JGGQBBKZSA-N 1 0 384.318 2.385 20 0 GEADRO CN(CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C(=O)c1ccc(Br)s1 ZINC000237074379 532503947 /nfs/dbraw/zinc/50/39/47/532503947.db2.gz YBMBPMJKBMOKLC-MNOVXSKESA-N 1 0 388.331 2.216 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000629915272 532503887 /nfs/dbraw/zinc/50/38/87/532503887.db2.gz HUZLLPHMUNYFHF-NSHDSACASA-N 1 0 398.232 2.040 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000431036688 532504204 /nfs/dbraw/zinc/50/42/04/532504204.db2.gz XGVGBVMUOVOCJE-UHFFFAOYSA-N 1 0 377.290 2.000 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc2c(cccc2Br)[nH]1 ZINC000563396082 532504217 /nfs/dbraw/zinc/50/42/17/532504217.db2.gz FEPOJKHDHAVAJY-KRWDZBQOSA-N 1 0 378.270 2.117 20 0 GEADRO OCCOC1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCOCC1 ZINC000282898209 532504371 /nfs/dbraw/zinc/50/43/71/532504371.db2.gz WODQZRGUMLAUHI-KRWDZBQOSA-N 1 0 384.314 2.454 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000652140056 532504479 /nfs/dbraw/zinc/50/44/79/532504479.db2.gz BRFHWULBHUDAHL-UHFFFAOYSA-N 1 0 398.301 2.409 20 0 GEADRO CCc1nnc(CNCc2ccc(Br)cc2N2CCOCC2)[nH]1 ZINC000296191347 532504454 /nfs/dbraw/zinc/50/44/54/532504454.db2.gz YMQZDFILPGCLDR-UHFFFAOYSA-N 1 0 380.290 2.256 20 0 GEADRO CN(C(=O)/C=C/c1cc(Br)c2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000237096367 532504560 /nfs/dbraw/zinc/50/45/60/532504560.db2.gz TUBRZTLOTGEXMN-NSCUHMNNSA-N 1 0 381.270 2.444 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000629914451 532504602 /nfs/dbraw/zinc/50/46/02/532504602.db2.gz UMFYPYYSPVQHOD-LBPRGKRZSA-N 1 0 378.885 2.078 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1OC ZINC000237076836 532504715 /nfs/dbraw/zinc/50/47/15/532504715.db2.gz HVCDNKLSXKUGQW-JTQLQIEISA-N 1 0 395.319 2.118 20 0 GEADRO COCCOCCS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000431072530 532504869 /nfs/dbraw/zinc/50/48/69/532504869.db2.gz SONFFIDEHGKQHG-INIZCTEOSA-N 1 0 390.571 2.104 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NCCC3(C[NH3+])CC3)nc12 ZINC000652178580 532505176 /nfs/dbraw/zinc/50/51/76/532505176.db2.gz RARRDGQGNITMJT-UHFFFAOYSA-N 1 0 380.290 2.333 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237263866 532505186 /nfs/dbraw/zinc/50/51/86/532505186.db2.gz NSPDLQAXXWSMKS-UHFFFAOYSA-N 1 0 384.303 2.299 20 0 GEADRO CCO[C@@H]1CN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C[C@H]1C[NH3+] ZINC000652190603 532505371 /nfs/dbraw/zinc/50/53/71/532505371.db2.gz UFXONOYTTBCIDI-BMFZPTHFSA-N 1 0 397.317 2.300 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000237229980 532505843 /nfs/dbraw/zinc/50/58/43/532505843.db2.gz SHXKNFWRKMVNID-ZWNOBZJWSA-N 1 0 377.304 2.254 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)cc(F)c1Br ZINC000563605044 532506554 /nfs/dbraw/zinc/50/65/54/532506554.db2.gz BDZHQGWHEZWRSJ-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594463234 532507434 /nfs/dbraw/zinc/50/74/34/532507434.db2.gz KZPHCXVNUNGRGQ-LBPRGKRZSA-N 1 0 392.880 2.418 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000237331360 532508006 /nfs/dbraw/zinc/50/80/06/532508006.db2.gz LEJVRXHAAHPNKH-GFCCVEGCSA-N 1 0 378.523 2.457 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652375250 532508069 /nfs/dbraw/zinc/50/80/69/532508069.db2.gz MDUFVVBXPFGMDO-HEHGZKQESA-N 1 0 388.917 2.256 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652374426 532508112 /nfs/dbraw/zinc/50/81/12/532508112.db2.gz QXYHGWKHFDUZNB-DUVNUKRYSA-N 1 0 388.917 2.256 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(F)c3)C2)C1 ZINC000652374378 532508205 /nfs/dbraw/zinc/50/82/05/532508205.db2.gz PYSZVHDQJWUXMF-XHBSWPGZSA-N 1 0 376.881 2.386 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652375252 532508509 /nfs/dbraw/zinc/50/85/09/532508509.db2.gz MDUFVVBXPFGMDO-XEZPLFJOSA-N 1 0 388.917 2.256 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3Cl)C2)C1 ZINC000652375030 532508555 /nfs/dbraw/zinc/50/85/55/532508555.db2.gz HCYVVEGZESIZCS-LNSITVRQSA-N 1 0 376.881 2.386 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000237633407 532508944 /nfs/dbraw/zinc/50/89/44/532508944.db2.gz YGVNPCCNWZEOJQ-GTNSWQLSSA-N 1 0 380.286 2.046 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)[C@H]1CC[NH3+] ZINC000652377835 532509135 /nfs/dbraw/zinc/50/91/35/532509135.db2.gz QQXQNVDBQMTJHE-AAEUAGOBSA-N 1 0 381.420 2.161 20 0 GEADRO C[C@H](CC(=O)NC[C@H](O)COc1ccccc1Br)C1CC[NH2+]CC1 ZINC000237656283 532509193 /nfs/dbraw/zinc/50/91/93/532509193.db2.gz BZXDWFGJKSUTRU-HIFRSBDPSA-N 1 0 399.329 2.331 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652383587 532509491 /nfs/dbraw/zinc/50/94/91/532509491.db2.gz AFTHMMAFPYNCJQ-SQWLQELKSA-N 1 0 388.917 2.398 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1CCOc2ccc(Br)cc21 ZINC000652380546 532509788 /nfs/dbraw/zinc/50/97/88/532509788.db2.gz ZIWJIBJXHBANJB-GJZGRUSLSA-N 1 0 397.313 2.278 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000521217596 532509913 /nfs/dbraw/zinc/50/99/13/532509913.db2.gz CKTLXZXNBCWWRT-UHFFFAOYSA-N 1 0 382.917 2.113 20 0 GEADRO C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)CC[NH2+]1 ZINC000237640402 532509874 /nfs/dbraw/zinc/50/98/74/532509874.db2.gz GKEZGJZDFQALGE-CYBMUJFWSA-N 1 0 385.555 2.183 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)ncc1Br ZINC000296277364 532510588 /nfs/dbraw/zinc/51/05/88/532510588.db2.gz UEQQIKPZHKLBCZ-UHFFFAOYSA-N 1 0 395.301 2.224 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1cc(F)c(I)c(F)c1 ZINC000237714965 532511221 /nfs/dbraw/zinc/51/12/21/532511221.db2.gz GQMMFBXHLLZQFR-SECBINFHSA-N 1 0 396.175 2.277 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCn1cc(Br)ccc1=O ZINC000563864301 532511529 /nfs/dbraw/zinc/51/15/29/532511529.db2.gz FSJBJWLMKHVPCY-KGLIPLIRSA-N 1 0 399.333 2.030 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]CC1CCC(C(C)C)CC1 ZINC000521317721 532511536 /nfs/dbraw/zinc/51/15/36/532511536.db2.gz USQMCOXFQPHNSW-UHFFFAOYSA-N 1 0 375.560 2.487 20 0 GEADRO Cc1ccc(I)cc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000521263236 532511670 /nfs/dbraw/zinc/51/16/70/532511670.db2.gz GQOPKDAHQIGJRA-UHFFFAOYSA-N 1 0 399.236 2.182 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296300333 532512268 /nfs/dbraw/zinc/51/22/68/532512268.db2.gz FXERDOZYMNNCCD-HZSPNIEDSA-N 1 0 377.286 2.315 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)COc1cccc(I)c1 ZINC000469796422 532512393 /nfs/dbraw/zinc/51/23/93/532512393.db2.gz KMZBPOUJDLJDDJ-UHFFFAOYSA-N 1 0 388.249 2.223 20 0 GEADRO [NH3+]C[C@@H]1CCCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000237945345 532512686 /nfs/dbraw/zinc/51/26/86/532512686.db2.gz YXAYIEBICXMRHF-JTQLQIEISA-N 1 0 385.287 2.443 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c1F ZINC000594529697 532512795 /nfs/dbraw/zinc/51/27/95/532512795.db2.gz DLQWMDJLVGTOOW-LBPRGKRZSA-N 1 0 378.853 2.062 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000237918921 532513052 /nfs/dbraw/zinc/51/30/52/532513052.db2.gz ZNMOKWIJYCBWND-LBPRGKRZSA-N 1 0 399.563 2.160 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c1F ZINC000594531636 532513308 /nfs/dbraw/zinc/51/33/08/532513308.db2.gz UQEMANCYFHFHQL-OAHLLOKOSA-N 1 0 380.869 2.308 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000563921856 532513357 /nfs/dbraw/zinc/51/33/57/532513357.db2.gz IGLZDDFWDKBEDE-KBPBESRZSA-N 1 0 389.949 2.243 20 0 GEADRO [NH3+]Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000237953460 532513676 /nfs/dbraw/zinc/51/36/76/532513676.db2.gz SVAMUXBMPNTSCV-UHFFFAOYSA-N 1 0 399.925 2.007 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1F ZINC000594531675 532513731 /nfs/dbraw/zinc/51/37/31/532513731.db2.gz VSIARQWLRJZSOI-UWVGGRQHSA-N 1 0 378.853 2.014 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c1F ZINC000594531686 532513734 /nfs/dbraw/zinc/51/37/34/532513734.db2.gz WALRYOTUPOHWBA-LBPRGKRZSA-N 1 0 380.869 2.260 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c(C)s1 ZINC000563952536 532514077 /nfs/dbraw/zinc/51/40/77/532514077.db2.gz KMEXGHCREDMNJS-WMLDXEAASA-N 1 0 382.551 2.397 20 0 GEADRO Cc1cn2c(n1)CN(C(=O)c1ccc(Br)cc1-n1cncn1)CC2 ZINC000374683073 532514504 /nfs/dbraw/zinc/51/45/04/532514504.db2.gz ODXUXTPZAPKXND-UHFFFAOYSA-N 1 0 387.241 2.191 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000238003175 532515443 /nfs/dbraw/zinc/51/54/43/532515443.db2.gz CHKUQKHUSRRTJU-MADCSZMMSA-N 1 0 380.176 2.427 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNc2ncnc3cccc(I)c32)C1 ZINC000594591753 532515745 /nfs/dbraw/zinc/51/57/45/532515745.db2.gz JFQYQEFZEZHZCN-XYPYZODXSA-N 1 0 382.249 2.987 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cccc(C[S@](=O)C2CCOCC2)c1 ZINC000564080930 532515950 /nfs/dbraw/zinc/51/59/50/532515950.db2.gz HOJKNWBFPABZDE-LMKMVOKYSA-N 1 0 382.551 2.148 20 0 GEADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000521582009 532516103 /nfs/dbraw/zinc/51/61/03/532516103.db2.gz GWLNLGMDMSJXBJ-ZJUUUORDSA-N 1 0 388.212 2.019 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cncc(Br)c1)[N@@H+]1CCCC[C@@H]1C ZINC000521568755 532516120 /nfs/dbraw/zinc/51/61/20/532516120.db2.gz NSTADSNQXHISSI-NWDGAFQWSA-N 1 0 376.320 2.385 20 0 GEADRO [NH3+]C[C@@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)C1CCCCC1 ZINC000238067005 532516177 /nfs/dbraw/zinc/51/61/77/532516177.db2.gz YNGUZRIUWMCXSJ-CQSZACIVSA-N 1 0 380.539 2.013 20 0 GEADRO COC(=O)CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OC)C1=O ZINC000594660702 532516779 /nfs/dbraw/zinc/51/67/79/532516779.db2.gz OMLIUZLJVJZANB-FZMZJTMJSA-N 1 0 399.285 2.272 20 0 GEADRO [NH3+]CC1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCC1 ZINC000238042782 532517078 /nfs/dbraw/zinc/51/70/78/532517078.db2.gz UXVYCZBHFRAQSC-UHFFFAOYSA-N 1 0 394.313 2.253 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000564102858 532517239 /nfs/dbraw/zinc/51/72/39/532517239.db2.gz USSDATICJYTFGH-UHFFFAOYSA-N 1 0 383.283 2.393 20 0 GEADRO C[C@H](CNC(=O)CCOc1ccccc1I)C[NH+](C)C ZINC000564097228 532517821 /nfs/dbraw/zinc/51/78/21/532517821.db2.gz WBPGNUNFYFXGGC-GFCCVEGCSA-N 1 0 390.265 2.374 20 0 GEADRO CN(CC(=O)N1CC[NH2+]CC1)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000470018869 532517979 /nfs/dbraw/zinc/51/79/79/532517979.db2.gz QULBAXDWWJKBOV-UHFFFAOYSA-N 1 0 394.235 2.332 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000563115705 532497577 /nfs/dbraw/zinc/49/75/77/532497577.db2.gz ZWXVCAPRUDTTKP-GWCFXTLKSA-N 1 0 392.233 2.460 20 0 GEADRO COCC[C@H](COC)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000520666986 532497594 /nfs/dbraw/zinc/49/75/94/532497594.db2.gz XTDFLLCHRBGDBQ-NXEZZACHSA-N 1 0 385.313 2.343 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCNC[C@@H]1c1ccccc1Cl ZINC000374307969 532497823 /nfs/dbraw/zinc/49/78/23/532497823.db2.gz CYPAVRFGCORBPI-CYBMUJFWSA-N 1 0 389.308 2.371 20 0 GEADRO COC[C@@]1(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCC[NH2+]1 ZINC000563107349 532497954 /nfs/dbraw/zinc/49/79/54/532497954.db2.gz BWDZGYNUMMTEDR-PBHICJAKSA-N 1 0 383.901 2.028 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236824680 532498993 /nfs/dbraw/zinc/49/89/93/532498993.db2.gz SAOPKABTHPQPDN-WMLDXEAASA-N 1 0 382.302 2.292 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000469279846 532499519 /nfs/dbraw/zinc/49/95/19/532499519.db2.gz RZKXCEQABIXWPY-VIFPVBQESA-N 1 0 378.317 2.289 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000563351173 532500576 /nfs/dbraw/zinc/50/05/76/532500576.db2.gz WTGGSKARMPCVDP-GHMZBOCLSA-N 1 0 376.320 2.015 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282841203 532500617 /nfs/dbraw/zinc/50/06/17/532500617.db2.gz RIDUHFBBECUXHO-SWLSCSKDSA-N 1 0 383.286 2.357 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Br ZINC000296083682 532500606 /nfs/dbraw/zinc/50/06/06/532500606.db2.gz FDSMKQDAFYFSMN-AGUYFDCRSA-N 1 0 380.286 2.437 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000563350423 532500916 /nfs/dbraw/zinc/50/09/16/532500916.db2.gz ORORSQCCMRFTMT-NFAWXSAZSA-N 1 0 388.917 2.256 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CCn1ccnn1)c1ccc(Br)cn1 ZINC000520820001 532500828 /nfs/dbraw/zinc/50/08/28/532500828.db2.gz UJZQAYMRLIODLO-UHFFFAOYSA-N 1 0 395.305 2.201 20 0 GEADRO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000236934658 532501307 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O=S1(=O)CCC(O)(C[NH2+][C@H]2CSc3ccc(Br)cc32)CC1 ZINC000564862392 532535814 /nfs/dbraw/zinc/53/58/14/532535814.db2.gz NNRFKMISGWCFPB-LBPRGKRZSA-N 1 0 392.340 2.125 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000525885987 532535935 /nfs/dbraw/zinc/53/59/35/532535935.db2.gz ANVPVSQWPCQEOH-CVEARBPZSA-N 1 0 387.293 2.498 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2nnc3ccc(Br)cn32)CC1 ZINC000296705076 532535981 /nfs/dbraw/zinc/53/59/81/532535981.db2.gz CKEKAIGAXVEQSS-GFCCVEGCSA-N 1 0 381.278 2.440 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)C1CCC1 ZINC000564914845 532537315 /nfs/dbraw/zinc/53/73/15/532537315.db2.gz WIBXWGRRXSFPGT-HNNXBMFYSA-N 1 0 395.301 2.149 20 0 GEADRO CCC[N@H+](C[C@H](O)COCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246268488 532537901 /nfs/dbraw/zinc/53/79/01/532537901.db2.gz MCNIKKJRSBLBPS-HOTGVXAUSA-N 1 0 375.918 2.117 20 0 GEADRO CN(C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000246498519 532538571 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CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529374945 532598018 /nfs/dbraw/zinc/59/80/18/532598018.db2.gz FUJGLVHNIHXWFJ-KGLIPLIRSA-N 1 0 382.302 2.284 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000529376933 532598605 /nfs/dbraw/zinc/59/86/05/532598605.db2.gz OZTAKYONVYPFRJ-GHMZBOCLSA-N 1 0 378.420 2.039 20 0 GEADRO CN(c1ccc(-c2csc(CN3CCC([NH3+])CC3)n2)cc1)S(C)(=O)=O ZINC000434658229 532598877 /nfs/dbraw/zinc/59/88/77/532598877.db2.gz BHDMEVAHLANKBK-UHFFFAOYSA-N 1 0 380.539 2.129 20 0 GEADRO C[NH2+]CCSCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000566183380 532598891 /nfs/dbraw/zinc/59/88/91/532598891.db2.gz YHILJMGISDEHLV-UHFFFAOYSA-N 1 0 388.331 2.107 20 0 GEADRO CN1CCN(c2ncc(C[NH2+]CCc3cccc(Br)c3)cn2)CC1 ZINC000297612739 532598949 /nfs/dbraw/zinc/59/89/49/532598949.db2.gz VEYPLKNFLGYAFN-UHFFFAOYSA-N 1 0 390.329 2.323 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000529379158 532598987 /nfs/dbraw/zinc/59/89/87/532598987.db2.gz SBWRVZVNLGWPHC-HOTGVXAUSA-N 1 0 397.317 2.023 20 0 GEADRO COc1cc(NC(=O)NCCOCC[NH+](C)C)cc(OC)c1Br ZINC000473775431 532599897 /nfs/dbraw/zinc/59/98/97/532599897.db2.gz XGLDIMLQDGOKNV-UHFFFAOYSA-N 1 0 390.278 2.166 20 0 GEADRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000434703097 532600112 /nfs/dbraw/zinc/60/01/12/532600112.db2.gz PXKPGLLUDVFJSR-HIFRSBDPSA-N 1 0 377.312 2.386 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)c2cc(F)c(F)cc2I)[C@H]1C ZINC000262768112 532600138 /nfs/dbraw/zinc/60/01/38/532600138.db2.gz LDRKJRDBRFKDJW-SFYZADRCSA-N 1 0 380.176 2.392 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(Br)c1 ZINC000262748207 532600192 /nfs/dbraw/zinc/60/01/92/532600192.db2.gz FJMSYBOCRZKFRG-CYBMUJFWSA-N 1 0 379.320 2.452 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000262766682 532600218 /nfs/dbraw/zinc/60/02/18/532600218.db2.gz KXGRPTHGBXYGKR-JSGCOSHPSA-N 1 0 378.922 2.405 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3cc(Cl)cc(Cl)c3)CC2)C1=O 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GEADRO CC[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1nc(C)cs1 ZINC000284613303 532605956 /nfs/dbraw/zinc/60/59/56/532605956.db2.gz YDBJYLBXXAXHRZ-CHWSQXEVSA-N 1 0 380.539 2.499 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000566350600 532606307 /nfs/dbraw/zinc/60/63/07/532606307.db2.gz DUXAKWAKOYYCKW-CQSZACIVSA-N 1 0 391.331 2.193 20 0 GEADRO CCC[NH+]1CCC(NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000474075460 532606472 /nfs/dbraw/zinc/60/64/72/532606472.db2.gz UEZYBHDTRIDBFT-HNNXBMFYSA-N 1 0 397.317 2.149 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC000262944688 532608335 /nfs/dbraw/zinc/60/83/35/532608335.db2.gz UYJFHOAQYMOETK-KNXALSJPSA-N 1 0 382.302 2.273 20 0 GEADRO COCC[NH+]1CCC(NC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000474169575 532608904 /nfs/dbraw/zinc/60/89/04/532608904.db2.gz NDNBCENSEZYJEZ-HNNXBMFYSA-N 1 0 390.311 2.437 20 0 GEADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cccc(I)c1 ZINC000474176677 532609139 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394.313 2.107 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000298578471 532660892 /nfs/dbraw/zinc/66/08/92/532660892.db2.gz CSQIIUXRKCKKCN-GJZGRUSLSA-N 1 0 380.286 2.439 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000599472065 532662220 /nfs/dbraw/zinc/66/22/20/532662220.db2.gz MUNOAWLCKPZUJJ-KRWDZBQOSA-N 1 0 397.313 2.460 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000567782901 532663114 /nfs/dbraw/zinc/66/31/14/532663114.db2.gz FQYSIYCDEUFODB-CQSZACIVSA-N 1 0 383.539 2.418 20 0 GEADRO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCSC2)nnn1-c1ccccc1Cl ZINC000480358927 532663460 /nfs/dbraw/zinc/66/34/60/532663460.db2.gz DMSBPOXHLTVULS-QGZVFWFLSA-N 1 0 379.917 2.396 20 0 GEADRO C[C@@]1(c2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)NC(=O)NC1=O ZINC000480366864 532663721 /nfs/dbraw/zinc/66/37/21/532663721.db2.gz SXAHGRWNOPKQTJ-INIZCTEOSA-N 1 0 378.226 2.387 20 0 GEADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000264159883 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/nfs/dbraw/zinc/67/56/99/532675699.db2.gz CGRJSENREKDUOU-GFCCVEGCSA-N 1 0 378.416 2.473 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C[NH+](C)C ZINC000568281525 532675807 /nfs/dbraw/zinc/67/58/07/532675807.db2.gz NXOXLIAJDJLRES-QWHCGFSZSA-N 1 0 382.302 2.116 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000285376727 532676403 /nfs/dbraw/zinc/67/64/03/532676403.db2.gz VGIHVBATXKORPQ-JTQLQIEISA-N 1 0 378.420 2.291 20 0 GEADRO O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000378043236 532677733 /nfs/dbraw/zinc/67/77/33/532677733.db2.gz WUENRZGPKNHSLM-CQSZACIVSA-N 1 0 382.913 2.303 20 0 GEADRO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cn1 ZINC000661107229 532678314 /nfs/dbraw/zinc/67/83/14/532678314.db2.gz FTJFSZQEVKQRLB-WFASDCNBSA-N 1 0 397.317 2.458 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000378063997 532678383 /nfs/dbraw/zinc/67/83/83/532678383.db2.gz YFSLVDLIFGMXIJ-CQSZACIVSA-N 1 0 386.901 2.137 20 0 GEADRO COC1CCC([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000638081366 532679351 /nfs/dbraw/zinc/67/93/51/532679351.db2.gz KHOXHNHMAOCODP-UHFFFAOYSA-N 1 0 391.331 2.486 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(Cc3coc(-c4cc(Cl)cc(Cl)c4)n3)CCN2C1=O ZINC000600709402 532679491 /nfs/dbraw/zinc/67/94/91/532679491.db2.gz JVVIXNHTVOGEOC-LSDHHAIUSA-N 1 0 381.263 2.392 20 0 GEADRO COC(=O)[C@H](C)CS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000378091547 532680842 /nfs/dbraw/zinc/68/08/42/532680842.db2.gz LVPJBUQOMFRYRX-IVMMDQJWSA-N 1 0 388.917 2.061 20 0 GEADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CCn1cc(Br)cn1 ZINC000285462143 532681206 /nfs/dbraw/zinc/68/12/06/532681206.db2.gz JUWNSKXTDZKQIL-UHFFFAOYSA-N 1 0 396.211 2.418 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)C1 ZINC000661543671 532681817 /nfs/dbraw/zinc/68/18/17/532681817.db2.gz GXBYXFGVJNIPOM-AWEZNQCLSA-N 1 0 377.535 2.450 20 0 GEADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1)CC(F)(F)F ZINC000638131674 532681862 /nfs/dbraw/zinc/68/18/62/532681862.db2.gz CXVUSGAJFUPGQF-AWEZNQCLSA-N 1 0 379.448 2.040 20 0 GEADRO [NH3+]C[C@]1(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CCCOC1 ZINC000638121771 532682226 /nfs/dbraw/zinc/68/22/26/532682226.db2.gz HHLOIEFBLOWGIF-CQSZACIVSA-N 1 0 381.782 2.004 20 0 GEADRO C[C@@H]1C[C@H](N(C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000638115425 532682349 /nfs/dbraw/zinc/68/23/49/532682349.db2.gz BZBKKHSVVAKUKW-DGCLKSJQSA-N 1 0 390.347 2.011 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000568605489 532682531 /nfs/dbraw/zinc/68/25/31/532682531.db2.gz MYCVWNSFJGXSIE-UHFFFAOYSA-N 1 0 388.693 2.465 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc2s1 ZINC000484780932 532682753 /nfs/dbraw/zinc/68/27/53/532682753.db2.gz CXOFGIPVBPRAIZ-PHIMTYICSA-N 1 0 378.885 2.217 20 0 GEADRO C[NH+](C)[C@@]1(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)CCCSC1 ZINC000378321578 532691288 /nfs/dbraw/zinc/69/12/88/532691288.db2.gz YKKVSBKTEGZDIQ-SFHVURJKSA-N 1 0 382.961 2.207 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)n1cc(CSCC[NH3+])nn1 ZINC000603171089 532691883 /nfs/dbraw/zinc/69/18/83/532691883.db2.gz ARVGJDSCORCSOI-SNVBAGLBSA-N 1 0 384.303 2.432 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C[C@@H]1O ZINC000664388705 532692301 /nfs/dbraw/zinc/69/23/01/532692301.db2.gz GQZGXIHLACBPIX-RYUDHWBXSA-N 1 0 398.237 2.411 20 0 GEADRO C[NH+](C)CCNC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC000665113300 532693218 /nfs/dbraw/zinc/69/32/18/532693218.db2.gz ZLTRBHGCRZHSKP-JTQLQIEISA-N 1 0 388.253 2.381 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285577333 532693523 /nfs/dbraw/zinc/69/35/23/532693523.db2.gz BFLGTHPCOJZNSK-VBNZEHGJSA-N 1 0 383.286 2.148 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439439417 532693525 /nfs/dbraw/zinc/69/35/25/532693525.db2.gz MADOQAZUNHGVKR-JMSVASOKSA-N 1 0 375.282 2.352 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000536552623 532693519 /nfs/dbraw/zinc/69/35/19/532693519.db2.gz MHKMZVFUWTTWLJ-GFCCVEGCSA-N 1 0 398.301 2.243 20 0 GEADRO COC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439449815 532694475 /nfs/dbraw/zinc/69/44/75/532694475.db2.gz JRRGVPJEYDXYSO-CJNGLKHVSA-N 1 0 390.249 2.213 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)COc1ccc(I)cc1 ZINC000536589073 532694875 /nfs/dbraw/zinc/69/48/75/532694875.db2.gz CUWPXPOXLXYGNH-VXGBXAGGSA-N 1 0 388.249 2.221 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000285625583 532694921 /nfs/dbraw/zinc/69/49/21/532694921.db2.gz YIZKVBWXKHGHEC-GFCCVEGCSA-N 1 0 398.301 2.089 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)Cc2ccon2)CC1 ZINC000536594420 532695018 /nfs/dbraw/zinc/69/50/18/532695018.db2.gz QUWUTULXRDKXAA-UHFFFAOYSA-N 1 0 379.258 2.370 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc(S(=O)(=O)CC)s1 ZINC000569297897 532695199 /nfs/dbraw/zinc/69/51/99/532695199.db2.gz JHFDNDFIGBUTIH-ZDUSSCGKSA-N 1 0 375.560 2.461 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)ccc1Br ZINC000378448150 532695280 /nfs/dbraw/zinc/69/52/80/532695280.db2.gz BUTWIRSFUHMDES-FZMZJTMJSA-N 1 0 389.315 2.172 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000299111228 532695232 /nfs/dbraw/zinc/69/52/32/532695232.db2.gz YAYBWYQOEYDHFW-NWDGAFQWSA-N 1 0 386.290 2.009 20 0 GEADRO CC[N@H+](CCNC(=O)Nc1nnc([C@H]2CCCO2)s1)CCC(F)(F)F ZINC000640734952 532695554 /nfs/dbraw/zinc/69/55/54/532695554.db2.gz WQMXYPFEBWRCAV-SNVBAGLBSA-N 1 0 381.424 2.785 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378501306 532697768 /nfs/dbraw/zinc/69/77/68/532697768.db2.gz VSVJDVPIUVYSMU-AWEZNQCLSA-N 1 0 378.274 2.096 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000603661001 532698302 /nfs/dbraw/zinc/69/83/02/532698302.db2.gz JBGREAKQXUFSGA-UHFFFAOYSA-N 1 0 392.880 2.033 20 0 GEADRO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@@H]1OC ZINC000488032719 532698683 /nfs/dbraw/zinc/69/86/83/532698683.db2.gz HIRPISMQJPSOMF-VBNZEHGJSA-N 1 0 385.302 2.142 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1Cl ZINC000666288503 532699521 /nfs/dbraw/zinc/69/95/21/532699521.db2.gz YLJVASCMANBJEM-HNNXBMFYSA-N 1 0 385.917 2.011 20 0 GEADRO CO[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1OC ZINC000488035295 532699586 /nfs/dbraw/zinc/69/95/86/532699586.db2.gz WKIPPYILJFQQLS-DFBGVHRSSA-N 1 0 394.693 2.188 20 0 GEADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000266041200 532700517 /nfs/dbraw/zinc/70/05/17/532700517.db2.gz VUNCSKODXUCGCK-GOEBONIOSA-N 1 0 389.323 2.387 20 0 GEADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)[C@@H]2C1 ZINC000285704836 532701253 /nfs/dbraw/zinc/70/12/53/532701253.db2.gz IYJSSEQTWQZSBY-CABCVRRESA-N 1 0 383.279 2.115 20 0 GEADRO C[C@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000606646226 532702159 /nfs/dbraw/zinc/70/21/59/532702159.db2.gz XJXXXUSKKVPCPL-LBPRGKRZSA-N 1 0 397.317 2.417 20 0 GEADRO CC[C@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CCN1CC(F)F ZINC000569655900 532702325 /nfs/dbraw/zinc/70/23/25/532702325.db2.gz GQUWAVWVVJBHOT-AWEZNQCLSA-N 1 0 378.533 2.185 20 0 GEADRO CC[N@H+](Cc1cccc(Br)c1)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000488764080 532702416 /nfs/dbraw/zinc/70/24/16/532702416.db2.gz TWNKVAZBTDCQLB-AWEZNQCLSA-N 1 0 396.329 2.350 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000666694910 532702498 /nfs/dbraw/zinc/70/24/98/532702498.db2.gz IQFUMSZLEPSZMO-ZDUSSCGKSA-N 1 0 397.317 2.488 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000569677977 532702773 /nfs/dbraw/zinc/70/27/73/532702773.db2.gz JCZRCZMWULHWIO-OAHLLOKOSA-N 1 0 396.329 2.002 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)CCC[N@H+](C)Cc2ccco2)cs1 ZINC000285512820 532687010 /nfs/dbraw/zinc/68/70/10/532687010.db2.gz RAQCOIJXADIWHN-UHFFFAOYSA-N 1 0 386.495 2.270 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000485557251 532687158 /nfs/dbraw/zinc/68/71/58/532687158.db2.gz HXOFPYJZGLSUFI-OCCSQVGLSA-N 1 0 382.302 2.422 20 0 GEADRO O=C(COc1ccc(Br)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638776575 532687230 /nfs/dbraw/zinc/68/72/30/532687230.db2.gz QXLPPKFPSUQMHP-QGZVFWFLSA-N 1 0 397.313 2.445 20 0 GEADRO N[C@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000638785583 532687283 /nfs/dbraw/zinc/68/72/83/532687283.db2.gz DHDSVPQUTBVVON-PBHICJAKSA-N 1 0 396.329 2.066 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000265055532 532687656 /nfs/dbraw/zinc/68/76/56/532687656.db2.gz XRTPSXAIMXEQJJ-CYBMUJFWSA-N 1 0 379.917 2.423 20 0 GEADRO C[C@H](CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)n1cc(Br)cn1 ZINC000638784148 532687753 /nfs/dbraw/zinc/68/77/53/532687753.db2.gz FYYKFFFBSWOMAL-CJNGLKHVSA-N 1 0 399.333 2.214 20 0 GEADRO COc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1Br ZINC000378274035 532688152 /nfs/dbraw/zinc/68/81/52/532688152.db2.gz PSJUZKSTKPNMRU-NXEZZACHSA-N 1 0 375.288 2.112 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]CC2CCN(CC(F)(F)F)CC2)CC1 ZINC000639084958 532689634 /nfs/dbraw/zinc/68/96/34/532689634.db2.gz SRHCPWGNKCQPAC-UHFFFAOYSA-N 1 0 385.496 2.101 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000439367739 532689744 /nfs/dbraw/zinc/68/97/44/532689744.db2.gz XLODSPYUDRYLNE-GFCCVEGCSA-N 1 0 398.301 2.087 20 0 GEADRO COC(=O)COCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000602361094 532690294 /nfs/dbraw/zinc/69/02/94/532690294.db2.gz QOVWCHDUGYLTKR-CQSZACIVSA-N 1 0 392.283 2.085 20 0 GEADRO Cc1sc(NC(=O)CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(C)c1C ZINC000285750634 532703774 /nfs/dbraw/zinc/70/37/74/532703774.db2.gz WOFHKTHDULTACV-HNNXBMFYSA-N 1 0 387.571 2.215 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1)S(C)(=O)=O ZINC000285740226 532704024 /nfs/dbraw/zinc/70/40/24/532704024.db2.gz VWWCKVWTFLFZPQ-AWEZNQCLSA-N 1 0 387.933 2.272 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CC1 ZINC000666809503 532704100 /nfs/dbraw/zinc/70/41/00/532704100.db2.gz GEFZBECRLGGTKF-PMPSAXMXSA-N 1 0 382.302 2.378 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(F)c1Br ZINC000299239517 532704327 /nfs/dbraw/zinc/70/43/27/532704327.db2.gz JYLRROWWHFQULU-HZMBPMFUSA-N 1 0 398.276 2.434 20 0 GEADRO COc1cccc2sc(NC(=O)CN3C[C@@H]([NH+](C)C)[C@@H](SC)C3)nc21 ZINC000537275968 532705290 /nfs/dbraw/zinc/70/52/90/532705290.db2.gz KZGSAEKFHFTSEQ-RISCZKNCSA-N 1 0 380.539 2.221 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000569712596 532705828 /nfs/dbraw/zinc/70/58/28/532705828.db2.gz FDJWWPMROUAZIB-JTQLQIEISA-N 1 0 383.235 2.294 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC000266200151 532707115 /nfs/dbraw/zinc/70/71/15/532707115.db2.gz SHKJUWOUMIUOLZ-AWEZNQCLSA-N 1 0 382.917 2.406 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000440258547 532708300 /nfs/dbraw/zinc/70/83/00/532708300.db2.gz URBHIIKTHKYDSA-UHFFFAOYSA-N 1 0 386.265 2.471 20 0 GEADRO COC[C@H](C)n1ccc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000572639277 532708962 /nfs/dbraw/zinc/70/89/62/532708962.db2.gz ZIMBVDSCGFIFHH-ZBEGNZNMSA-N 1 0 381.274 2.666 20 0 GEADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)CC1 ZINC000608034936 532709206 /nfs/dbraw/zinc/70/92/06/532709206.db2.gz TUPINFFYATYTQF-CYBMUJFWSA-N 1 0 387.571 2.346 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000440335201 532710443 /nfs/dbraw/zinc/71/04/43/532710443.db2.gz FXHZRNDXKUEOMD-IUCAKERBSA-N 1 0 383.258 2.394 20 0 GEADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000285814812 532710717 /nfs/dbraw/zinc/71/07/17/532710717.db2.gz GMXROTHCVIGHTB-JTQLQIEISA-N 1 0 379.267 2.096 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]2c2ccc(Br)cc2)CCC1 ZINC000669028329 532712400 /nfs/dbraw/zinc/71/24/00/532712400.db2.gz YLVNMXZPIIRPLZ-OAHLLOKOSA-N 1 0 394.313 2.323 20 0 GEADRO C[C@H](NC(=O)c1ccc(I)c(O)c1)C1CC[NH+](C)CC1 ZINC000396482358 532712504 /nfs/dbraw/zinc/71/25/04/532712504.db2.gz JOHWNKYUFAVVEI-JTQLQIEISA-N 1 0 388.249 2.457 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000492164374 532713027 /nfs/dbraw/zinc/71/30/27/532713027.db2.gz ZFWVAMMFFIUXJD-CYBMUJFWSA-N 1 0 380.645 2.430 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000408243542 532713143 /nfs/dbraw/zinc/71/31/43/532713143.db2.gz IHIQLIAJKQEMLH-UHFFFAOYSA-N 1 0 398.248 2.335 20 0 GEADRO Cc1nn2c(nc(C)c2C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)s1 ZINC000538534782 532713221 /nfs/dbraw/zinc/71/32/21/532713221.db2.gz CPYKXRRYNMJENC-CYBMUJFWSA-N 1 0 377.901 2.495 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cccc(I)c2)[C@@H]1C[NH3+] ZINC000440407442 532713421 /nfs/dbraw/zinc/71/34/21/532713421.db2.gz NKGDWABQSJHREZ-GXFFZTMASA-N 1 0 394.278 2.039 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)NCCc3cccc(Cl)c3Cl)C[C@H]2[NH3+])cn1 ZINC000644197005 532713527 /nfs/dbraw/zinc/71/35/27/532713527.db2.gz VBSGDHFTRGRRBR-DZGCQCFKSA-N 1 0 382.295 2.406 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000440409550 532713832 /nfs/dbraw/zinc/71/38/32/532713832.db2.gz MXURSQLMSAONII-UHFFFAOYSA-N 1 0 379.320 2.372 20 0 GEADRO C[C@H](C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)CS(C)(=O)=O ZINC000494219800 532713951 /nfs/dbraw/zinc/71/39/51/532713951.db2.gz LYTKBNNENCOCHW-HQQWDMGQSA-N 1 0 376.881 2.021 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1Br ZINC000440448472 532714763 /nfs/dbraw/zinc/71/47/63/532714763.db2.gz XFQMUQARAYOBOA-ZWNOBZJWSA-N 1 0 377.304 2.206 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440439751 532714792 /nfs/dbraw/zinc/71/47/92/532714792.db2.gz DTSWTHLPZGZPJY-LBPRGKRZSA-N 1 0 389.315 2.281 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000299428554 532715543 /nfs/dbraw/zinc/71/55/43/532715543.db2.gz VAYKBYICWAISAO-UONOGXRCSA-N 1 0 384.318 2.165 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000408300108 532715695 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COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000440859207 532723155 /nfs/dbraw/zinc/72/31/55/532723155.db2.gz MKCVXNLSHNCCKV-KRWDZBQOSA-N 1 0 390.933 2.423 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000299517119 532723347 /nfs/dbraw/zinc/72/33/47/532723347.db2.gz GZIAKIIGVWJAAE-WFASDCNBSA-N 1 0 382.302 2.120 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000440852981 532723433 /nfs/dbraw/zinc/72/34/33/532723433.db2.gz ZEKNZKOZABMDOS-RDBSUJKOSA-N 1 0 388.917 2.113 20 0 GEADRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000646107927 532723683 /nfs/dbraw/zinc/72/36/83/532723683.db2.gz HJZIYZCXNBECST-NHYWBVRUSA-N 1 0 380.794 2.080 20 0 GEADRO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987620 532723961 /nfs/dbraw/zinc/72/39/61/532723961.db2.gz WVOVSMSEYKVZTD-HOCLYGCPSA-N 1 0 396.329 2.041 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000440855231 532723978 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[NH3+]C[C@@H]1c2ccccc2CCN1Cc1nnnn1-c1ccccc1Br ZINC000576161265 532725001 /nfs/dbraw/zinc/72/50/01/532725001.db2.gz YPWMBMYSHLINIJ-QGZVFWFLSA-N 1 0 399.296 2.483 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccsc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000613012145 532725236 /nfs/dbraw/zinc/72/52/36/532725236.db2.gz NDSUDOQZTUIEEV-LBPRGKRZSA-N 1 0 378.947 2.373 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000299549917 532725733 /nfs/dbraw/zinc/72/57/33/532725733.db2.gz YQYVOPAPTWUCDF-CQSZACIVSA-N 1 0 388.281 2.186 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)c1ccsc1 ZINC000299558726 532726314 /nfs/dbraw/zinc/72/63/14/532726314.db2.gz ADYCYQWQQYWADZ-OAHLLOKOSA-N 1 0 385.486 2.291 20 0 GEADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000499761277 532727319 /nfs/dbraw/zinc/72/73/19/532727319.db2.gz SBYGESJGDDYQLO-GUYCJALGSA-N 1 0 395.345 2.151 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F)C1CC1 ZINC000441980232 532727566 /nfs/dbraw/zinc/72/75/66/532727566.db2.gz RWLDIZNYLDMMHE-GFCCVEGCSA-N 1 0 390.228 2.122 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccsc1Br ZINC000672692536 532728244 /nfs/dbraw/zinc/72/82/44/532728244.db2.gz DNHNQDIFAJDSHK-LBPRGKRZSA-N 1 0 388.331 2.117 20 0 GEADRO C[NH+](C)CCOCCNC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409903003 532729411 /nfs/dbraw/zinc/72/94/11/532729411.db2.gz OXAFIXZBHIKQBY-AEFFLSMTSA-N 1 0 381.314 2.347 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cc2n(n1)CCC2 ZINC000577044005 532730040 /nfs/dbraw/zinc/73/00/40/532730040.db2.gz YFXUNJVJPGFRRA-KGLIPLIRSA-N 1 0 380.539 2.252 20 0 GEADRO O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)Nc1cccc(I)c1 ZINC000286112346 532730208 /nfs/dbraw/zinc/73/02/08/532730208.db2.gz LRDOFUAAMLVNNQ-RISCZKNCSA-N 1 0 388.249 2.370 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409940813 532730758 /nfs/dbraw/zinc/73/07/58/532730758.db2.gz XSCUMOSCWSAJAB-WMZOPIPTSA-N 1 0 381.314 2.083 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(Br)cc1F ZINC000613603994 532731725 /nfs/dbraw/zinc/73/17/25/532731725.db2.gz WEPDBTDWSSLYCW-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000577079404 532731779 /nfs/dbraw/zinc/73/17/79/532731779.db2.gz FYHQICZCSMEOEI-UHFFFAOYSA-N 1 0 382.180 2.260 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000538744283 532718582 /nfs/dbraw/zinc/71/85/82/532718582.db2.gz ZYJYIOPZNUOOCA-UHFFFAOYSA-N 1 0 391.331 2.314 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000299483715 532719662 /nfs/dbraw/zinc/71/96/62/532719662.db2.gz DIZDIRDHIBNQKH-UHFFFAOYSA-N 1 0 397.317 2.433 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)cn(C)c2=O)C[C@@H]1C ZINC000408436818 532719656 /nfs/dbraw/zinc/71/96/56/532719656.db2.gz JUUKPUKCDOPGGP-WCQYABFASA-N 1 0 385.306 2.484 20 0 GEADRO Cc1ccc(OCCC(=O)N2CCN([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000676388389 532742642 /nfs/dbraw/zinc/74/26/42/532742642.db2.gz LRIZQXVOJSGTFY-OAHLLOKOSA-N 1 0 397.313 2.460 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000579712058 532742905 /nfs/dbraw/zinc/74/29/05/532742905.db2.gz KNJYMGOHJOOHDU-NXEZZACHSA-N 1 0 379.258 2.178 20 0 GEADRO O=S(=O)(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000443236538 532743590 /nfs/dbraw/zinc/74/35/90/532743590.db2.gz AJERDHHMMKVTML-GOSISDBHSA-N 1 0 380.897 2.255 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000502897170 532744134 /nfs/dbraw/zinc/74/41/34/532744134.db2.gz UWIIFRCXAUAAOY-HNNXBMFYSA-N 1 0 384.322 2.352 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C)C[C@H]1[NH+](C)C ZINC000503248898 532744495 /nfs/dbraw/zinc/74/44/95/532744495.db2.gz XBNKPWLGEYCMME-OLZOCXBDSA-N 1 0 393.372 2.424 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000503232352 532744536 /nfs/dbraw/zinc/74/45/36/532744536.db2.gz AXLWRCDHBOKFTP-KBPBESRZSA-N 1 0 393.372 2.256 20 0 GEADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)cn2)CC1 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391.335 2.025 20 0 GEADRO CC(C)(CO)[NH+]1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000673897160 532733823 /nfs/dbraw/zinc/73/38/23/532733823.db2.gz OTWFVJQJZPMNFW-UHFFFAOYSA-N 1 0 395.301 2.388 20 0 GEADRO CC(C)(CO)[NH+]1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000673895604 532733959 /nfs/dbraw/zinc/73/39/59/532733959.db2.gz JKZIBJSGMDZNGT-UHFFFAOYSA-N 1 0 380.539 2.199 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000267131839 532734158 /nfs/dbraw/zinc/73/41/58/532734158.db2.gz ZJWHEWZQSFCPDW-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO CSCc1ccc(NC(=O)C(=O)NCC2(SC)CC[NH+](C)CC2)cc1 ZINC000577112126 532734593 /nfs/dbraw/zinc/73/45/93/532734593.db2.gz TYPZCYRZLGMICR-UHFFFAOYSA-N 1 0 381.567 2.432 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000578494093 532735816 /nfs/dbraw/zinc/73/58/16/532735816.db2.gz CPZUNQSOUXHXAY-GFCCVEGCSA-N 1 0 389.905 2.022 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578486911 532736336 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COc1cc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)ccc1S(C)(=O)=O ZINC000675792764 532740852 /nfs/dbraw/zinc/74/08/52/532740852.db2.gz UGAUJQLGLRQFSG-GFCCVEGCSA-N 1 0 376.469 2.479 20 0 GEADRO Cc1ccc2nc(CSCC(=O)NC[C@]3([NH+](C)C)CCSC3)cn2c1 ZINC000267361187 532741171 /nfs/dbraw/zinc/74/11/71/532741171.db2.gz WKJVCDSWQBKWGJ-GOSISDBHSA-N 1 0 378.567 2.429 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000267355890 532741230 /nfs/dbraw/zinc/74/12/30/532741230.db2.gz ROGWSGXOHPHGNZ-QGZVFWFLSA-N 1 0 385.917 2.231 20 0 GEADRO O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)Nc1cccc(Br)c1 ZINC000540902918 532747963 /nfs/dbraw/zinc/74/79/63/532747963.db2.gz QMFFQPQCOUIPNI-HUUCEWRRSA-N 1 0 395.301 2.314 20 0 GEADRO CCCc1ccc(Cl)c(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)c1 ZINC000579518774 532741544 /nfs/dbraw/zinc/74/15/44/532741544.db2.gz RKEMTFAPPBANBN-UHFFFAOYSA-N 1 0 375.966 2.454 20 0 GEADRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)Nc1ccccc1I ZINC000286346762 532741787 /nfs/dbraw/zinc/74/17/87/532741787.db2.gz XPJQFKUDACKOLP-WCQYABFASA-N 1 0 388.249 2.370 20 0 GEADRO C[NH+](C)CCOCCNC(=O)c1ccc(I)cc1Cl ZINC000541533655 532754948 /nfs/dbraw/zinc/75/49/48/532754948.db2.gz CZIDVYBNJPPVLA-UHFFFAOYSA-N 1 0 396.656 2.253 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCCOCC[NH+](C)C ZINC000541534294 532755120 /nfs/dbraw/zinc/75/51/20/532755120.db2.gz VUJKVDNPZBDQDW-LBPRGKRZSA-N 1 0 375.282 2.461 20 0 GEADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(OC)cc1Br)CC2 ZINC000286578366 532756813 /nfs/dbraw/zinc/75/68/13/532756813.db2.gz QAAGOLHAPRYSQH-GFCCVEGCSA-N 1 0 381.274 2.300 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000268171949 532756927 /nfs/dbraw/zinc/75/69/27/532756927.db2.gz JYYFJGIJWJVDAF-DGCLKSJQSA-N 1 0 377.539 2.284 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1F ZINC000286596175 532757069 /nfs/dbraw/zinc/75/70/69/532757069.db2.gz GQHFPCYYMVKRIC-AAEUAGOBSA-N 1 0 387.297 2.194 20 0 GEADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+]C(C)(C)c2cccs2)c1C ZINC000541644123 532757289 /nfs/dbraw/zinc/75/72/89/532757289.db2.gz NIWVQBJRRIDSSM-UHFFFAOYSA-N 1 0 381.523 2.476 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000286598176 532757859 /nfs/dbraw/zinc/75/78/59/532757859.db2.gz WUDKUZQLIVNBIS-AWEZNQCLSA-N 1 0 386.323 2.452 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N(CC[NH+](C)C)Cc1ccco1 ZINC000268286060 532760282 /nfs/dbraw/zinc/76/02/82/532760282.db2.gz CFRROVQDAVZJEQ-UHFFFAOYSA-N 1 0 379.262 2.287 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1c(C3CC3)nc3sccn13)CCO2 ZINC000541852630 532760362 /nfs/dbraw/zinc/76/03/62/532760362.db2.gz KWPMTVHGYLXUIC-CXAGYDPISA-N 1 0 381.523 2.099 20 0 GEADRO C[C@](CO)([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccc(O)c1 ZINC000451040603 532760376 /nfs/dbraw/zinc/76/03/76/532760376.db2.gz RZVSJVLZEVMBDA-SJLPKXTDSA-N 1 0 396.281 2.392 20 0 GEADRO CC(=O)NC1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000582601188 532760595 /nfs/dbraw/zinc/76/05/95/532760595.db2.gz JAXJCBQNEZGXSW-UYSNPLJNSA-N 1 0 385.302 2.226 20 0 GEADRO CN(C)C(=O)NCC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000411433179 532761786 /nfs/dbraw/zinc/76/17/86/532761786.db2.gz TULWPKRULJYEMQ-UHFFFAOYSA-N 1 0 389.269 2.120 20 0 GEADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc2c(Cl)ccnc21 ZINC000451218307 532761814 /nfs/dbraw/zinc/76/18/14/532761814.db2.gz ASMNQADGJJFRHA-CYBMUJFWSA-N 1 0 383.901 2.013 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000541877267 532762157 /nfs/dbraw/zinc/76/21/57/532762157.db2.gz DSAOXKVTAOENQV-SNVBAGLBSA-N 1 0 375.803 2.338 20 0 GEADRO CO[C@@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1Br ZINC000620473863 532762400 /nfs/dbraw/zinc/76/24/00/532762400.db2.gz AUIIEPJPXHTOGJ-WMLDXEAASA-N 1 0 397.313 2.194 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620475936 532762416 /nfs/dbraw/zinc/76/24/16/532762416.db2.gz WSTMTELDSVHCQC-OAHLLOKOSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620479160 532762458 /nfs/dbraw/zinc/76/24/58/532762458.db2.gz OYBMJEUXEQILHO-GFCCVEGCSA-N 1 0 380.901 2.463 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[N@@H+]1C ZINC000504613745 532748747 /nfs/dbraw/zinc/74/87/47/532748747.db2.gz KVLBVXWQRSSNGC-GXSJLCMTSA-N 1 0 375.803 2.479 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000286472536 532749424 /nfs/dbraw/zinc/74/94/24/532749424.db2.gz KXKZCHZAHRZSGN-JTQLQIEISA-N 1 0 390.709 2.175 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@H](C)C[NH2+]1 ZINC000505849642 532750897 /nfs/dbraw/zinc/75/08/97/532750897.db2.gz BBLJDKCVVZXBJU-JHJVBQTASA-N 1 0 380.286 2.011 20 0 GEADRO C[N@H+](CCn1cc(Br)cn1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000580978751 532751577 /nfs/dbraw/zinc/75/15/77/532751577.db2.gz IQYSHRJJWHVKKK-UHFFFAOYSA-N 1 0 379.237 2.497 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000269307299 532779893 /nfs/dbraw/zinc/77/98/93/532779893.db2.gz ZESRSJVBGUZGIG-BLLLJJGKSA-N 1 0 387.933 2.226 20 0 GEADRO O=C(Cc1ccccc1Br)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000269170395 532776607 /nfs/dbraw/zinc/77/66/07/532776607.db2.gz SZHSLLHVWQIOAC-UHFFFAOYSA-N 1 0 375.270 2.435 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000269246121 532777461 /nfs/dbraw/zinc/77/74/61/532777461.db2.gz ZMMRHJOACNTIIG-QMTHXVAHSA-N 1 0 378.274 2.148 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000512301280 532777686 /nfs/dbraw/zinc/77/76/86/532777686.db2.gz UOVLJVVMHHZOTN-RYUDHWBXSA-N 1 0 383.286 2.314 20 0 GEADRO CC(C)(CN1CCOCC1)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000308646064 532777916 /nfs/dbraw/zinc/77/79/16/532777916.db2.gz DGKBRNHFTJXVRJ-CYBMUJFWSA-N 1 0 377.312 2.434 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CC[C@@H]1[NH3+] ZINC000269265221 532778207 /nfs/dbraw/zinc/77/82/07/532778207.db2.gz KKFBILXUOCDGOT-ABAIWWIYSA-N 1 0 387.933 2.226 20 0 GEADRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CN1C1CC1 ZINC000512879793 532778756 /nfs/dbraw/zinc/77/87/56/532778756.db2.gz JWXUHCCDGYVDTE-RYUDHWBXSA-N 1 0 392.352 2.487 20 0 GEADRO CC(C)[C@@H]([NH3+])c1cn(CC(=O)Nc2cccc(I)c2)nn1 ZINC000313301432 532778768 /nfs/dbraw/zinc/77/87/68/532778768.db2.gz KTMSJEWHRJWCLI-CQSZACIVSA-N 1 0 399.236 2.177 20 0 GEADRO CC(C)[C@H]([NH3+])c1cn(CC(=O)Nc2ccccc2I)nn1 ZINC000313316159 532778816 /nfs/dbraw/zinc/77/88/16/532778816.db2.gz TYGGAKGCUBGFHD-AWEZNQCLSA-N 1 0 399.236 2.177 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1ccncc1)c1ccccc1Br ZINC000512874485 532779079 /nfs/dbraw/zinc/77/90/79/532779079.db2.gz OZMNNBPMJDIZCJ-UHFFFAOYSA-N 1 0 384.299 2.302 20 0 GEADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000542752548 532779175 /nfs/dbraw/zinc/77/91/75/532779175.db2.gz BDUJXLNZEMVPGM-UHFFFAOYSA-N 1 0 391.331 2.394 20 0 GEADRO CN(C)C(=O)C1([NH2+]CCCOc2cccc(I)c2)CC1 ZINC000411906821 532779458 /nfs/dbraw/zinc/77/94/58/532779458.db2.gz AROXIVZOFHQLHY-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO O=C(CCc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620481110 532763499 /nfs/dbraw/zinc/76/34/99/532763499.db2.gz AYVCGSPSSIRPTO-QGZVFWFLSA-N 1 0 381.314 2.439 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)c1ccccc1-n1cc(Br)cn1 ZINC000583065691 532763753 /nfs/dbraw/zinc/76/37/53/532763753.db2.gz QXVQITYZGYYZJB-UHFFFAOYSA-N 1 0 393.285 2.087 20 0 GEADRO O=C(CCc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620490318 532763709 /nfs/dbraw/zinc/76/37/09/532763709.db2.gz XXPBMIDMRMZZDK-QGZVFWFLSA-N 1 0 381.314 2.439 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1sccc1Cl ZINC000583065767 532763822 /nfs/dbraw/zinc/76/38/22/532763822.db2.gz DTVICJMNLDYIIZ-UHFFFAOYSA-N 1 0 382.935 2.296 20 0 GEADRO COc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Br ZINC000620491042 532764023 /nfs/dbraw/zinc/76/40/23/532764023.db2.gz MKUTVOCXSFRARU-AWEZNQCLSA-N 1 0 383.286 2.129 20 0 GEADRO COc1cnc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC000411498395 532764327 /nfs/dbraw/zinc/76/43/27/532764327.db2.gz CMOKUHNIXLABKH-GFCCVEGCSA-N 1 0 382.873 2.163 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@@H]1C ZINC000542082938 532764631 /nfs/dbraw/zinc/76/46/31/532764631.db2.gz ILFCLCBRZSYQAU-QWRGUYRKSA-N 1 0 396.285 2.335 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)CCOCC(F)(F)C(F)(F)F)CCO1 ZINC000620976344 532764966 /nfs/dbraw/zinc/76/49/66/532764966.db2.gz HBDCCNXROLJUCO-LBPRGKRZSA-N 1 0 376.366 2.160 20 0 GEADRO C[C@H](CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)n1cc(Br)cn1 ZINC000620979392 532765123 /nfs/dbraw/zinc/76/51/23/532765123.db2.gz FVWLEZRPANZTFV-UKRRQHHQSA-N 1 0 387.322 2.166 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621099907 532766050 /nfs/dbraw/zinc/76/60/50/532766050.db2.gz DIXLYEYXJDNPRD-ZDUSSCGKSA-N 1 0 398.301 2.010 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)CNC(=O)[C@H]2CCC[NH2+]2)ccc1Br ZINC000583751377 532766731 /nfs/dbraw/zinc/76/67/31/532766731.db2.gz SKCLMHVIKCEOQY-CVEARBPZSA-N 1 0 394.313 2.289 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CCC(=O)Nc2ccc(Br)cc2)CCOC1 ZINC000411560141 532767112 /nfs/dbraw/zinc/76/71/12/532767112.db2.gz YFPNEIXAHPVHNH-INIZCTEOSA-N 1 0 385.258 2.090 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3Br)C2)C1 ZINC000313903819 532779724 /nfs/dbraw/zinc/77/97/24/532779724.db2.gz RWTVNRAWCVNGHL-CQSZACIVSA-N 1 0 377.279 2.305 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCCC1(F)F ZINC000451638749 532768556 /nfs/dbraw/zinc/76/85/56/532768556.db2.gz FQTQPRXDPCZZJE-AWEZNQCLSA-N 1 0 378.489 2.165 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584528278 532769117 /nfs/dbraw/zinc/76/91/17/532769117.db2.gz LXXSTOFDKIQCCH-CABCVRRESA-N 1 0 394.313 2.027 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1Cn1cncn1 ZINC000268793539 532770189 /nfs/dbraw/zinc/77/01/89/532770189.db2.gz YZYPAACWUQOAGG-CYBMUJFWSA-N 1 0 375.274 2.464 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCN2CCN(C(C)=O)CC2)cc1Br ZINC000268792248 532770347 /nfs/dbraw/zinc/77/03/47/532770347.db2.gz DUDRUHWOENFYAU-ZDUSSCGKSA-N 1 0 384.318 2.272 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000302589694 532770848 /nfs/dbraw/zinc/77/08/48/532770848.db2.gz WDELIPIQQNVVKG-UHFFFAOYSA-N 1 0 389.725 2.488 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(Cl)c1 ZINC000286863798 532773434 /nfs/dbraw/zinc/77/34/34/532773434.db2.gz YEELDRWWCUAGIK-SWLSCSKDSA-N 1 0 386.901 2.374 20 0 GEADRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)CN1CCOCC1 ZINC000268993196 532774019 /nfs/dbraw/zinc/77/40/19/532774019.db2.gz HKBQNRXIXCKGNN-KGLIPLIRSA-N 1 0 376.469 2.302 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000269011537 532774649 /nfs/dbraw/zinc/77/46/49/532774649.db2.gz XLVLEWADVVSWBG-VIFPVBQESA-N 1 0 376.682 2.497 20 0 GEADRO O=S(=O)(C1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1)N1CCCC1 ZINC000287073595 532782100 /nfs/dbraw/zinc/78/21/00/532782100.db2.gz VAWVGECOMLJFLF-QGZVFWFLSA-N 1 0 386.945 2.133 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](CO)[C@H]2CCCOC2)ccc1Br ZINC000411986074 532782521 /nfs/dbraw/zinc/78/25/21/532782521.db2.gz DZDQACQLHIXWOP-XEZPLFJOSA-N 1 0 385.302 2.462 20 0 GEADRO CC(C)(CN1CCOCC1)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000412002991 532783329 /nfs/dbraw/zinc/78/33/29/532783329.db2.gz NWQSWKYBIKAYBL-UHFFFAOYSA-N 1 0 388.339 2.353 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000545200834 532783436 /nfs/dbraw/zinc/78/34/36/532783436.db2.gz NYHPNPJYMUATFJ-NSHDSACASA-N 1 0 398.301 2.163 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC000412005856 532783511 /nfs/dbraw/zinc/78/35/11/532783511.db2.gz VIIYOGDUMZYCII-UHFFFAOYSA-N 1 0 398.345 2.108 20 0 GEADRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000269613835 532784234 /nfs/dbraw/zinc/78/42/34/532784234.db2.gz NJSSMWHGMXPXSG-BZUAXINKSA-N 1 0 384.567 2.127 20 0 GEADRO CNC(=O)NC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000412055293 532784408 /nfs/dbraw/zinc/78/44/08/532784408.db2.gz OTMSBYJCAXFMML-ZDUSSCGKSA-N 1 0 376.284 2.127 20 0 GEADRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000412093140 532785377 /nfs/dbraw/zinc/78/53/77/532785377.db2.gz RORFJBXKEXRPIC-JMSVASOKSA-N 1 0 376.266 2.421 20 0 GEADRO Cc1cc(Cl)c(C)c(S(=O)(=O)NCCCN2CC[NH2+]CC2)c1Cl ZINC000319538325 532786457 /nfs/dbraw/zinc/78/64/57/532786457.db2.gz DBGHCRHYFXCNAV-UHFFFAOYSA-N 1 0 380.341 2.184 20 0 GEADRO CCCN(Cc1cc(=O)n2cc(Br)ccc2n1)C1CC[NH2+]CC1 ZINC000319996259 532786539 /nfs/dbraw/zinc/78/65/39/532786539.db2.gz YXGAXWRVMVMSFZ-UHFFFAOYSA-N 1 0 379.302 2.421 20 0 GEADRO CNc1cc(I)ccc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000412155056 532786875 /nfs/dbraw/zinc/78/68/75/532786875.db2.gz YJBOVTIOWBMMAX-SNVBAGLBSA-N 1 0 375.254 2.403 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000320918495 532786952 /nfs/dbraw/zinc/78/69/52/532786952.db2.gz LKVYKWGITOSHSI-TXEJJXNPSA-N 1 0 389.315 2.078 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000287254496 532788072 /nfs/dbraw/zinc/78/80/72/532788072.db2.gz REHCVNOCUNWCRT-LBPRGKRZSA-N 1 0 375.922 2.049 20 0 GEADRO Cc1ncc(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)c(Cl)c1Cl ZINC000412325514 532788250 /nfs/dbraw/zinc/78/82/50/532788250.db2.gz YGBXWJLJTSBYFE-GFCCVEGCSA-N 1 0 387.311 2.417 20 0 GEADRO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000269720430 532788268 /nfs/dbraw/zinc/78/82/68/532788268.db2.gz UAZQENRWEDHFRJ-CYBMUJFWSA-N 1 0 377.539 2.457 20 0 GEADRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000287270712 532788919 /nfs/dbraw/zinc/78/89/19/532788919.db2.gz IYXFNTIBFZYFTO-SECBINFHSA-N 1 0 385.313 2.079 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000457204718 532789106 /nfs/dbraw/zinc/78/91/06/532789106.db2.gz KJXIXYHZXHNZJM-LBPRGKRZSA-N 1 0 382.302 2.258 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NC[C@H](C)[NH+](C)C)CC2=O)ccc1Br ZINC000412383579 532789738 /nfs/dbraw/zinc/78/97/38/532789738.db2.gz LTLCABZTMTWWCD-QWHCGFSZSA-N 1 0 382.302 2.177 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccsc2Br)C1 ZINC000287298833 532790688 /nfs/dbraw/zinc/79/06/88/532790688.db2.gz VCAUPUWOWBVIQF-NEPJUHHUSA-N 1 0 388.331 2.116 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000326862346 532790677 /nfs/dbraw/zinc/79/06/77/532790677.db2.gz VBTJHAYTYDOOKI-UKRRQHHQSA-N 1 0 386.901 2.279 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000270173124 532795350 /nfs/dbraw/zinc/79/53/50/532795350.db2.gz LOKUYWXGBOCQMO-CQSZACIVSA-N 1 0 391.940 2.172 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)c1cc(F)cc(Cl)c1)N1CC[NH+](C)CC1 ZINC000270170033 532795473 /nfs/dbraw/zinc/79/54/73/532795473.db2.gz LAADKAUAVMUBHJ-INIZCTEOSA-N 1 0 377.913 2.029 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000287443086 532795711 /nfs/dbraw/zinc/79/57/11/532795711.db2.gz CZLULNDMARWWHD-LLVKDONJSA-N 1 0 376.835 2.351 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000270367746 532795988 /nfs/dbraw/zinc/79/59/88/532795988.db2.gz MBDJSCRFRKJYIF-ABAIWWIYSA-N 1 0 390.285 2.242 20 0 GEADRO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1I ZINC000314353236 532780561 /nfs/dbraw/zinc/78/05/61/532780561.db2.gz OHVXBXGEGQQIDG-BETUJISGSA-N 1 0 399.276 2.161 20 0 GEADRO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000411918246 532780670 /nfs/dbraw/zinc/78/06/70/532780670.db2.gz ONGCAFVRKMIETE-NEPJUHHUSA-N 1 0 388.295 2.357 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000314379845 532780879 /nfs/dbraw/zinc/78/08/79/532780879.db2.gz TWIGXJLNCLBJLA-CMPLNLGQSA-N 1 0 377.304 2.171 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(Cl)c1)C(=O)N1CCC[NH2+]CC1 ZINC000314187669 532781200 /nfs/dbraw/zinc/78/12/00/532781200.db2.gz NSHZMIIBDXHWTD-UHFFFAOYSA-N 1 0 378.629 2.002 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000314970960 532781493 /nfs/dbraw/zinc/78/14/93/532781493.db2.gz PQUWIHNUJOZIHO-NSHDSACASA-N 1 0 379.320 2.465 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Br)cnc3OCC3CC3)C[C@H]2C1 ZINC000287070279 532781833 /nfs/dbraw/zinc/78/18/33/532781833.db2.gz MSWIXZWZEGMANT-BETUJISGSA-N 1 0 380.286 2.267 20 0 GEADRO Cc1sc2[nH]c([C@H](C)Sc3nnnn3CC[NH+](C)C)nc(=O)c2c1C ZINC000412997136 532806039 /nfs/dbraw/zinc/80/60/39/532806039.db2.gz WHLPLBGRJROKDV-JTQLQIEISA-N 1 0 379.515 2.415 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cccnc3C(F)(F)F)C2)CC1 ZINC000287692307 532806691 /nfs/dbraw/zinc/80/66/91/532806691.db2.gz FJZQUYZUTVXLIT-CYBMUJFWSA-N 1 0 377.432 2.453 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000287698745 532806792 /nfs/dbraw/zinc/80/67/92/532806792.db2.gz QLJBWCVTJDTZCH-JTQLQIEISA-N 1 0 375.803 2.133 20 0 GEADRO CSC[C@H]1CCCN1C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000555685683 532808734 /nfs/dbraw/zinc/80/87/34/532808734.db2.gz GCNSGKBJCZWPQV-HUUCEWRRSA-N 1 0 381.567 2.355 20 0 GEADRO C[C@H](CNC(=O)c1ccc(C(N)=O)c(Cl)n1)N1CCc2sccc2C1 ZINC000287792671 532809186 /nfs/dbraw/zinc/80/91/86/532809186.db2.gz ZGNNBVLZDUOLAY-SNVBAGLBSA-N 1 0 378.885 2.072 20 0 GEADRO O=S(=O)(c1ccc(Br)cn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000329669638 532809756 /nfs/dbraw/zinc/80/97/56/532809756.db2.gz RLNHDCLCYBEHHW-CQSZACIVSA-N 1 0 388.331 2.483 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000329750255 532810716 /nfs/dbraw/zinc/81/07/16/532810716.db2.gz UWMBRKNJZPFJFN-INIZCTEOSA-N 1 0 380.901 2.303 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cnn2cc(Br)cnc12 ZINC000287491656 532797485 /nfs/dbraw/zinc/79/74/85/532797485.db2.gz UFEMLQWFXRLYDS-UHFFFAOYSA-N 1 0 380.290 2.440 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1(C)C ZINC000550115690 532797747 /nfs/dbraw/zinc/79/77/47/532797747.db2.gz MIWHDOLNIRJBFF-HNNXBMFYSA-N 1 0 381.929 2.408 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)sn1 ZINC000287493296 532797832 /nfs/dbraw/zinc/79/78/32/532797832.db2.gz GDEHMIFEAANDGM-UHFFFAOYSA-N 1 0 382.555 2.258 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC(C)(C)OCCO)ccc1S(=O)(=O)C(F)F ZINC000287508913 532798282 /nfs/dbraw/zinc/79/82/82/532798282.db2.gz YZHOMKAFPMRPLW-NSHDSACASA-N 1 0 381.441 2.130 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000550818562 532798707 /nfs/dbraw/zinc/79/87/07/532798707.db2.gz NTEKUYBCJRZNGG-ZBFHGGJFSA-N 1 0 378.519 2.352 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc(CSc3nccn3C)o2)C[C@@H]1[NH+](C)C ZINC000270468885 532798735 /nfs/dbraw/zinc/79/87/35/532798735.db2.gz LPQCCCZJJGFOTF-DZGCQCFKSA-N 1 0 380.539 2.423 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000550809886 532798819 /nfs/dbraw/zinc/79/88/19/532798819.db2.gz GILQTHSAQVBUTN-JTQLQIEISA-N 1 0 379.766 2.388 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000550818760 532798874 /nfs/dbraw/zinc/79/88/74/532798874.db2.gz BIOQLQIYJRLPNZ-ZIAGYGMSSA-N 1 0 396.329 2.302 20 0 GEADRO CCc1n[nH]c(C(=O)NCC2(SC)CC[NH+](C)CC2)c1Br ZINC000460972650 532799096 /nfs/dbraw/zinc/79/90/96/532799096.db2.gz JBADMJQPHFBUNU-UHFFFAOYSA-N 1 0 375.336 2.292 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1Br ZINC000287546084 532799248 /nfs/dbraw/zinc/79/92/48/532799248.db2.gz WWWMVXQILHINCH-RISCZKNCSA-N 1 0 395.301 2.367 20 0 GEADRO CC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Br)cc1 ZINC000551573275 532800667 /nfs/dbraw/zinc/80/06/67/532800667.db2.gz YVWOQOJXDYKMBZ-CQSZACIVSA-N 1 0 376.316 2.430 20 0 GEADRO COc1cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc(Br)c1O ZINC000551582026 532800930 /nfs/dbraw/zinc/80/09/30/532800930.db2.gz YCOZXSLJYHYXAZ-FZMZJTMJSA-N 1 0 376.291 2.411 20 0 GEADRO CN1CCO[C@@H]2CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@@H]21 ZINC000329153759 532802856 /nfs/dbraw/zinc/80/28/56/532802856.db2.gz UJQGALHAEDFQBY-JKSUJKDBSA-N 1 0 381.263 2.334 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000551969935 532803168 /nfs/dbraw/zinc/80/31/68/532803168.db2.gz UCCQNXYFBPLKHQ-CYBMUJFWSA-N 1 0 375.416 2.242 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000329203898 532803933 /nfs/dbraw/zinc/80/39/33/532803933.db2.gz CXPDVYIDHNBZCK-GXTWGEPZSA-N 1 0 386.901 2.359 20 0 GEADRO CS[C@@H]1CN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C[C@@H]1[NH+](C)C ZINC000271189794 532804711 /nfs/dbraw/zinc/80/47/11/532804711.db2.gz VTSFGMQMYPBGOX-QWHCGFSZSA-N 1 0 384.571 2.174 20 0 GEADRO COc1cc(Br)cc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000271191443 532804720 /nfs/dbraw/zinc/80/47/20/532804720.db2.gz GQYYDMBHGPIVAP-GFCCVEGCSA-N 1 0 385.306 2.215 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000271795684 532812405 /nfs/dbraw/zinc/81/24/05/532812405.db2.gz HWFLXQHRVONXHK-UHFFFAOYSA-N 1 0 382.258 2.068 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(Br)c1 ZINC000272382183 532814773 /nfs/dbraw/zinc/81/47/73/532814773.db2.gz WNCYEHAGQFIXNG-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1Br ZINC000272381593 532814930 /nfs/dbraw/zinc/81/49/30/532814930.db2.gz HTVZJFFTYIXLHY-RISCZKNCSA-N 1 0 389.315 2.172 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cncc(I)c1 ZINC000272240968 532813633 /nfs/dbraw/zinc/81/36/33/532813633.db2.gz XKGLXBXDMKVNDN-NSHDSACASA-N 1 0 387.265 2.489 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)NCc2cc(C)ccc2Br)CC[N@H+](C)C1 ZINC000413721531 532814306 /nfs/dbraw/zinc/81/43/06/532814306.db2.gz CTYZFKQBUDJPHL-AWEZNQCLSA-N 1 0 398.301 2.004 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ncc1Br ZINC000288009450 532814446 /nfs/dbraw/zinc/81/44/46/532814446.db2.gz HEOVODCFCRULQH-STQMWFEESA-N 1 0 395.301 2.176 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC000288043104 532816112 /nfs/dbraw/zinc/81/61/12/532816112.db2.gz DPZJMVMKDQOXTG-NSHDSACASA-N 1 0 388.331 2.187 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000272511188 532816419 /nfs/dbraw/zinc/81/64/19/532816419.db2.gz GGXVOTRWOAYIOI-UHFFFAOYSA-N 1 0 396.289 2.144 20 0 GEADRO C[NH+]1CCN(C[C@H](O)COc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000414129388 532819162 /nfs/dbraw/zinc/81/91/62/532819162.db2.gz UWIROOPWXNUVSX-ZDUSSCGKSA-N 1 0 397.235 2.455 20 0 GEADRO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414351297 532821580 /nfs/dbraw/zinc/82/15/80/532821580.db2.gz NGKZASJDYBODAT-ZDUSSCGKSA-N 1 0 390.347 2.061 20 0 GEADRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414362961 532822097 /nfs/dbraw/zinc/82/20/97/532822097.db2.gz WXVZIGYWSOYVJU-JTQLQIEISA-N 1 0 379.320 2.390 20 0 GEADRO C[C@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCC[C@@H]1O ZINC000414357501 532822137 /nfs/dbraw/zinc/82/21/37/532822137.db2.gz AAFLWJIRZWOBEG-LSDHHAIUSA-N 1 0 391.331 2.127 20 0 GEADRO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(S(C)(=O)=O)s3)CC2)C[C@H](C)O1 ZINC000414385331 532823789 /nfs/dbraw/zinc/82/37/89/532823789.db2.gz VMYRGORVONHXEW-GASCZTMLSA-N 1 0 386.583 2.473 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c(Br)c1 ZINC000330630029 532822905 /nfs/dbraw/zinc/82/29/05/532822905.db2.gz CCHDCJJRMZNVMV-IJEWVQPXSA-N 1 0 399.329 2.438 20 0 GEADRO CC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCOCC1 ZINC000414369509 532823133 /nfs/dbraw/zinc/82/31/33/532823133.db2.gz UQYNHBPIZSSUSY-UHFFFAOYSA-N 1 0 377.304 2.003 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)s1 ZINC000414390876 532824651 /nfs/dbraw/zinc/82/46/51/532824651.db2.gz JUAHVMOVQVSOGM-ZFWWWQNUSA-N 1 0 375.462 2.479 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000273525600 532825411 /nfs/dbraw/zinc/82/54/11/532825411.db2.gz PIAGQWWNQIUKAV-LBPRGKRZSA-N 1 0 388.917 2.477 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)CC2=O)ccc1Br ZINC000330687198 532825458 /nfs/dbraw/zinc/82/54/58/532825458.db2.gz VZQCGPKLGSOEGX-STQMWFEESA-N 1 0 382.302 2.177 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000288376253 532825530 /nfs/dbraw/zinc/82/55/30/532825530.db2.gz ZKQPMZJFBIGBIP-OAHLLOKOSA-N 1 0 393.347 2.225 20 0 GEADRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000273548527 532826152 /nfs/dbraw/zinc/82/61/52/532826152.db2.gz WZIMBIPATRAESZ-UTUOFQBUSA-N 1 0 378.947 2.476 20 0 GEADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000273627128 532828818 /nfs/dbraw/zinc/82/88/18/532828818.db2.gz RNTQJGVAOPJRJU-CQSZACIVSA-N 1 0 378.274 2.211 20 0 GEADRO Cc1cc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)ccc1C[NH+](C)C ZINC000414462263 532829056 /nfs/dbraw/zinc/82/90/56/532829056.db2.gz GXGFOUYMYONESQ-UHFFFAOYSA-N 1 0 382.507 2.261 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CC[N@@H+]1C ZINC000330902174 532829348 /nfs/dbraw/zinc/82/93/48/532829348.db2.gz KWRATGNKRKOMSS-MNOVXSKESA-N 1 0 388.331 2.182 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000288493301 532829418 /nfs/dbraw/zinc/82/94/18/532829418.db2.gz AROFTIQTQLOQBO-KGLIPLIRSA-N 1 0 393.242 2.313 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)CCc1ccccc1Br ZINC000414464368 532829545 /nfs/dbraw/zinc/82/95/45/532829545.db2.gz MPUXQOXIGVYOSN-GJZGRUSLSA-N 1 0 375.332 2.394 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000414466035 532829582 /nfs/dbraw/zinc/82/95/82/532829582.db2.gz UQLURNKBMPNXIH-STQMWFEESA-N 1 0 394.278 2.052 20 0 GEADRO C[C@H](C[NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000414501734 532831933 /nfs/dbraw/zinc/83/19/33/532831933.db2.gz FIBJKQJRSGTLCH-CQSZACIVSA-N 1 0 381.519 2.387 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000288597340 532832367 /nfs/dbraw/zinc/83/23/67/532832367.db2.gz KEMICLUMFQPZRC-ZIAGYGMSSA-N 1 0 399.285 2.402 20 0 GEADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414568244 532832392 /nfs/dbraw/zinc/83/23/92/532832392.db2.gz MWGNLWXRNYGQNQ-UHFFFAOYSA-N 1 0 385.299 2.320 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+]Cc2ccc(Cl)cc2Br)nn1 ZINC000414570836 532832621 /nfs/dbraw/zinc/83/26/21/532832621.db2.gz SSNRIVGVSNXYJJ-UHFFFAOYSA-N 1 0 386.681 2.363 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NC3CC[NH+](C)CC3)nc12 ZINC000273783736 532834147 /nfs/dbraw/zinc/83/41/47/532834147.db2.gz ZPVFIEDOCVHFGL-UHFFFAOYSA-N 1 0 380.290 2.299 20 0 GEADRO CC(C)(C)[NH2+]CCN1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000414747470 532834873 /nfs/dbraw/zinc/83/48/73/532834873.db2.gz UERATWIVCYIBCW-UHFFFAOYSA-N 1 0 398.345 2.360 20 0 GEADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000414733728 532834894 /nfs/dbraw/zinc/83/48/94/532834894.db2.gz KCMQLTXPAXADMF-LBPRGKRZSA-N 1 0 399.314 2.280 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000288610411 532832917 /nfs/dbraw/zinc/83/29/17/532832917.db2.gz PCFSETUYKFIULS-CYBMUJFWSA-N 1 0 385.251 2.457 20 0 GEADRO COc1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc(I)c1OC ZINC000414789501 532835713 /nfs/dbraw/zinc/83/57/13/532835713.db2.gz ODEOLOPJIRUFCQ-YPMHNXCESA-N 1 0 388.249 2.102 20 0 GEADRO O=C1CNC(=O)N1CCC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000273867456 532836137 /nfs/dbraw/zinc/83/61/37/532836137.db2.gz PKNWOYPWXNYCKM-UHFFFAOYSA-N 1 0 378.270 2.480 20 0 GEADRO COc1cc(C)c(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1Cl ZINC000331220198 532836416 /nfs/dbraw/zinc/83/64/16/532836416.db2.gz UCLAWWGIANAXMM-AWEZNQCLSA-N 1 0 390.933 2.028 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414735516 532834981 /nfs/dbraw/zinc/83/49/81/532834981.db2.gz WZANANVKBUUTDY-LBPRGKRZSA-N 1 0 388.921 2.373 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000414991529 532836592 /nfs/dbraw/zinc/83/65/92/532836592.db2.gz QKIAXQPLQTWUGD-AWEZNQCLSA-N 1 0 397.317 2.278 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331182349 532835035 /nfs/dbraw/zinc/83/50/35/532835035.db2.gz ZLNVVIDWDJUIEE-LBPRGKRZSA-N 1 0 380.229 2.281 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000331186092 532835191 /nfs/dbraw/zinc/83/51/91/532835191.db2.gz NJJXOAYSOXUEPZ-KBPBESRZSA-N 1 0 394.324 2.382 20 0 GEADRO COc1cc(CN[C@@H](C[NH3+])C2CC2)cc(I)c1OC ZINC000414793033 532835310 /nfs/dbraw/zinc/83/53/10/532835310.db2.gz CYCNSQMWXSYQSY-LBPRGKRZSA-N 1 0 376.238 2.135 20 0 GEADRO CCOc1c(Br)cc(CN(C)C[C@@H](O)C[NH3+])cc1Br ZINC000415048590 532837177 /nfs/dbraw/zinc/83/71/77/532837177.db2.gz CMKRUUNTYGMDDA-JTQLQIEISA-N 1 0 396.123 2.362 20 0 GEADRO CCOc1cc(CN(C)C[C@H](O)C[NH3+])cc(Br)c1OC(F)F ZINC000415061068 532837327 /nfs/dbraw/zinc/83/73/27/532837327.db2.gz VOJHJSBCKVRJFR-SNVBAGLBSA-N 1 0 383.233 2.201 20 0 GEADRO COc1ccc(I)c(NC(=O)NCC2([NH3+])CCC2)c1 ZINC000415067576 532837396 /nfs/dbraw/zinc/83/73/96/532837396.db2.gz CBRDYJQAWOKIMZ-UHFFFAOYSA-N 1 0 375.210 2.303 20 0 GEADRO COc1ccc(I)c(NC(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000415077896 532837468 /nfs/dbraw/zinc/83/74/68/532837468.db2.gz UPYBHOCFPDBJQD-JTQLQIEISA-N 1 0 389.237 2.421 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000288766714 532837544 /nfs/dbraw/zinc/83/75/44/532837544.db2.gz OSRIWNOKFCDJRD-MWLCHTKSSA-N 1 0 380.388 2.315 20 0 GEADRO [NH3+]C[C@H]1CN(Cc2c(F)ccc(I)c2F)CCCO1 ZINC000415109691 532838118 /nfs/dbraw/zinc/83/81/18/532838118.db2.gz NXQWGFWRNCMBJG-VIFPVBQESA-N 1 0 382.192 2.119 20 0 GEADRO O=C1N[C@H]2CN(Cc3ccccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415144136 532838415 /nfs/dbraw/zinc/83/84/15/532838415.db2.gz UOBUDACHEFPNOR-DLBZAZTESA-N 1 0 393.329 2.169 20 0 GEADRO O=C1N[C@@H]2CN(Cc3sccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415136492 532838661 /nfs/dbraw/zinc/83/86/61/532838661.db2.gz HOTQHRXIKPMSBZ-KGLIPLIRSA-N 1 0 399.358 2.231 20 0 GEADRO CCOc1ccc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)cc1Br ZINC000273988454 532838807 /nfs/dbraw/zinc/83/88/07/532838807.db2.gz RKWJVFYUPMSKOA-UHFFFAOYSA-N 1 0 389.315 2.388 20 0 GEADRO O=C1N[C@H]2CN(Cc3ccc(Br)s3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415138752 532838829 /nfs/dbraw/zinc/83/88/29/532838829.db2.gz KNRIPLHMZUDBJP-UONOGXRCSA-N 1 0 399.358 2.231 20 0 GEADRO Cn1cc([C@H](O)CNC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000359999523 209214042 /nfs/dbraw/zinc/21/40/42/209214042.db2.gz ZLTSRICZOOQELF-MJUUVYJYSA-N 1 0 397.523 2.053 20 0 GEADRO NC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000359999584 209212738 /nfs/dbraw/zinc/21/27/38/209212738.db2.gz OMXZIRIJCUZWHC-SLFFLAALSA-N 1 0 384.524 2.194 20 0 GEADRO CNC(=O)CCCN(C)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000359997883 209211997 /nfs/dbraw/zinc/21/19/97/209211997.db2.gz VMRLRSMLZSUMLF-VAMGGRTRSA-N 1 0 386.540 2.455 20 0 GEADRO Cn1ccc(N2CC[C@H](N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2=O)n1 ZINC000359998329 209210660 /nfs/dbraw/zinc/21/06/60/209210660.db2.gz LQGKXGZKUKRGRJ-NMLBUPMWSA-N 1 0 379.508 2.026 20 0 GEADRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000359993266 209210529 /nfs/dbraw/zinc/21/05/29/209210529.db2.gz JVSZUQNAQDSJCE-SFHVURJKSA-N 1 0 395.544 2.347 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000331416866 532839348 /nfs/dbraw/zinc/83/93/48/532839348.db2.gz AFUXNIXVGJRSAT-MFKMUULPSA-N 1 0 389.315 2.219 20 0 GEADRO NC(=O)c1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000359942661 209206319 /nfs/dbraw/zinc/20/63/19/209206319.db2.gz VBXKRDGRYHQJHA-UHFFFAOYSA-N 1 0 393.443 2.211 20 0 GEADRO CN1C(=O)CCc2cc(NC(=O)NC[C@H]3CCC[C@@H]3[NH+]3CCOCC3)ccc21 ZINC000359928079 209204011 /nfs/dbraw/zinc/20/40/11/209204011.db2.gz PDMXEXMMIPIBQT-APWZRJJASA-N 1 0 386.496 2.218 20 0 GEADRO CC[NH+]1CCC(N(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C2CC2)CC1 ZINC000359925974 209203335 /nfs/dbraw/zinc/20/33/35/209203335.db2.gz DUIHBQDIPWMSKT-UHFFFAOYSA-N 1 0 376.545 2.390 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)Cc3cc(C)n[nH]3)CC2)cc1 ZINC000359899528 209199641 /nfs/dbraw/zinc/19/96/41/209199641.db2.gz NGZYTPYMYWMMJY-CQSZACIVSA-N 1 0 392.525 2.101 20 0 GEADRO COC(=O)CCc1ccc(NC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000359928294 209204649 /nfs/dbraw/zinc/20/46/49/209204649.db2.gz PXAGCNKSECZCIV-MJGOQNOKSA-N 1 0 389.496 2.415 20 0 GEADRO O=C(Nc1cc(F)c(F)cc1I)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415224720 532839519 /nfs/dbraw/zinc/83/95/19/532839519.db2.gz BGARWZMYKCVCHV-OCAPTIKFSA-N 1 0 393.175 2.253 20 0 GEADRO CCOC(=O)C1CCN(C(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000359900861 209181530 /nfs/dbraw/zinc/18/15/30/209181530.db2.gz QLWHLVQGAAXDCG-RBUKOAKNSA-N 1 0 393.572 2.375 20 0 GEADRO O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)NC1CC[NH2+]CC1 ZINC000415266160 532839756 /nfs/dbraw/zinc/83/97/56/532839756.db2.gz GTAWRDNFHYBKMN-UHFFFAOYSA-N 1 0 394.191 2.275 20 0 GEADRO [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)sc2C1 ZINC000288838356 532839911 /nfs/dbraw/zinc/83/99/11/532839911.db2.gz VPKNTOJCKOWPHQ-JQWIXIFHSA-N 1 0 376.507 2.264 20 0 GEADRO Cn1cc(NC(=O)N(CC[NH3+])CCc2ccccc2)cc(Br)c1=O ZINC000415272291 532839974 /nfs/dbraw/zinc/83/99/74/532839974.db2.gz SMKBRDXPWPODOV-UHFFFAOYSA-N 1 0 393.285 2.183 20 0 GEADRO O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C(=O)NC1CC[NH2+]CC1 ZINC000415267005 532839954 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O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331521211 532840679 /nfs/dbraw/zinc/84/06/79/532840679.db2.gz JOIABZHMQCOMMG-INIZCTEOSA-N 1 0 384.249 2.129 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000415292743 532840862 /nfs/dbraw/zinc/84/08/62/532840862.db2.gz BSNUCPWZXBBQBD-JTQLQIEISA-N 1 0 379.766 2.040 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415303475 532840891 /nfs/dbraw/zinc/84/08/91/532840891.db2.gz FEPNEHJUVJQQRA-UHFFFAOYSA-N 1 0 382.180 2.132 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c(C)c2)n1 ZINC000415296146 532840958 /nfs/dbraw/zinc/84/09/58/532840958.db2.gz RJQAZCZTQVMPCN-GFCCVEGCSA-N 1 0 376.507 2.409 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415323963 532841115 /nfs/dbraw/zinc/84/11/15/532841115.db2.gz DSFHSEOUOQSDTJ-NSHDSACASA-N 1 0 392.200 2.354 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)ccc1Br ZINC000331601804 532841574 /nfs/dbraw/zinc/84/15/74/532841574.db2.gz VIQFEHRYFPYZPV-MAZHCROVSA-N 1 0 394.313 2.227 20 0 GEADRO CC[N@H+](CC(=O)[O-])C1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000186637482 209137693 /nfs/dbraw/zinc/13/76/93/209137693.db2.gz RVIIKXJJQGZIEM-IBGZPJMESA-N 1 0 387.524 2.296 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCn2cc(Br)cn2)[C@H](C)C1 ZINC000288917485 532841891 /nfs/dbraw/zinc/84/18/91/532841891.db2.gz WVGVJULIWCOQSC-UKRRQHHQSA-N 1 0 386.338 2.407 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415340058 532841901 /nfs/dbraw/zinc/84/19/01/532841901.db2.gz ZLBRKWQCWWAPSZ-MFKMUULPSA-N 1 0 382.258 2.451 20 0 GEADRO CCOC(=O)c1c(NC(=O)NC[C@@H]2C[NH2+]CCO2)sc2c1CCCS2 ZINC000415333109 532841962 /nfs/dbraw/zinc/84/19/62/532841962.db2.gz IQMAUBSDWMXDMB-JTQLQIEISA-N 1 0 385.511 2.073 20 0 GEADRO Cn1ncc(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000274132852 532842064 /nfs/dbraw/zinc/84/20/64/532842064.db2.gz CTCJMAOVXKBIRP-UHFFFAOYSA-N 1 0 395.301 2.096 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)[C@H]1CCC[NH2+]C1 ZINC000415352073 532842186 /nfs/dbraw/zinc/84/21/86/532842186.db2.gz OXEPCPBLAJBPFX-JQWIXIFHSA-N 1 0 395.301 2.164 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)n1 ZINC000415352305 532842292 /nfs/dbraw/zinc/84/22/92/532842292.db2.gz AYWLOFYSEZNUAM-GFCCVEGCSA-N 1 0 376.507 2.348 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415343896 532842410 /nfs/dbraw/zinc/84/24/10/532842410.db2.gz MMOMVTYFKAJCBU-SECBINFHSA-N 1 0 377.844 2.456 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415363418 532842731 /nfs/dbraw/zinc/84/27/31/532842731.db2.gz WWCDHIFEERRAAE-AAEUAGOBSA-N 1 0 382.302 2.454 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000331690269 532843125 /nfs/dbraw/zinc/84/31/25/532843125.db2.gz BCAZJZZPWBTBDT-UHFFFAOYSA-N 1 0 386.290 2.010 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415364754 532843186 /nfs/dbraw/zinc/84/31/86/532843186.db2.gz SONLNEYWEYWWPS-CYBMUJFWSA-N 1 0 391.269 2.146 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000415388974 532843340 /nfs/dbraw/zinc/84/33/40/532843340.db2.gz FMJHQFWSHSPMNH-NSHDSACASA-N 1 0 375.803 2.480 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(C)c(Br)cc1F)[C@@H]1CC[NH2+]C1 ZINC000415393263 532843873 /nfs/dbraw/zinc/84/38/73/532843873.db2.gz OYLDJFBBFRQKFP-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000288989242 532843936 /nfs/dbraw/zinc/84/39/36/532843936.db2.gz RWHUBLVZCCTFNK-SWLSCSKDSA-N 1 0 394.313 2.149 20 0 GEADRO C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1=O ZINC000331739641 532844070 /nfs/dbraw/zinc/84/40/70/532844070.db2.gz FEKGRIZNYQBDPB-NXEZZACHSA-N 1 0 376.404 2.282 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000415403490 532844574 /nfs/dbraw/zinc/84/45/74/532844574.db2.gz KJSHZQPTXGSOMI-QWRGUYRKSA-N 1 0 382.258 2.309 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415408268 532844611 /nfs/dbraw/zinc/84/46/11/532844611.db2.gz BYWLMKPRSNEPFY-QMMMGPOBSA-N 1 0 396.207 2.378 20 0 GEADRO COCC[NH2+]CCNC(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000415426483 532844869 /nfs/dbraw/zinc/84/48/69/532844869.db2.gz LXTHZPFVFQRFBE-UHFFFAOYSA-N 1 0 386.283 2.845 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415429247 532844885 /nfs/dbraw/zinc/84/48/85/532844885.db2.gz BAGSYHKOYRBLPQ-ZDUSSCGKSA-N 1 0 384.267 2.217 20 0 GEADRO Cc1cc(NC(=O)N2CCO[C@H](C[NH3+])C2)nn1-c1ccc(Cl)cc1Cl ZINC000415427555 532844907 /nfs/dbraw/zinc/84/49/07/532844907.db2.gz NDXYJZXUIJWNBU-GFCCVEGCSA-N 1 0 384.267 2.679 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415429241 532845036 /nfs/dbraw/zinc/84/50/36/532845036.db2.gz AZCBLPAELXTXAG-LBPRGKRZSA-N 1 0 379.258 2.035 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415435463 532845306 /nfs/dbraw/zinc/84/53/06/532845306.db2.gz ISZQHZQOURCDQP-JTQLQIEISA-N 1 0 380.645 2.280 20 0 GEADRO CCc1ccsc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274232749 532845599 /nfs/dbraw/zinc/84/55/99/532845599.db2.gz KZXHUWYRPDJSDD-UHFFFAOYSA-N 1 0 381.523 2.403 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415451944 532845837 /nfs/dbraw/zinc/84/58/37/532845837.db2.gz XRMFYSJEWRRNGN-LLVKDONJSA-N 1 0 390.253 2.025 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415442394 532845898 /nfs/dbraw/zinc/84/58/98/532845898.db2.gz PWFFTALYIUWGEU-RYUDHWBXSA-N 1 0 398.301 2.290 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)C1CC1 ZINC000415460059 532846226 /nfs/dbraw/zinc/84/62/26/532846226.db2.gz XSBAMVWTJTXONA-NSHDSACASA-N 1 0 394.191 2.260 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000415452000 532845971 /nfs/dbraw/zinc/84/59/71/532845971.db2.gz XTMRMYNSWHJKOL-JTQLQIEISA-N 1 0 381.782 2.319 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000415452100 532846480 /nfs/dbraw/zinc/84/64/80/532846480.db2.gz XXSIMQWMFAHQBF-JTQLQIEISA-N 1 0 381.782 2.319 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)/C=C/C[NH+](C)C)C2=O)ccc1Br ZINC000274292220 532846797 /nfs/dbraw/zinc/84/67/97/532846797.db2.gz MYTLCZIDADPEQR-RGDDUWESSA-N 1 0 380.286 2.097 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415485854 532846865 /nfs/dbraw/zinc/84/68/65/532846865.db2.gz PFKSWPUQBKRBLQ-LLVKDONJSA-N 1 0 379.262 2.103 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415484365 532846900 /nfs/dbraw/zinc/84/69/00/532846900.db2.gz OAYVQUAGNRNWBW-UHFFFAOYSA-N 1 0 385.306 2.183 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415480075 532846946 /nfs/dbraw/zinc/84/69/46/532846946.db2.gz GPNUBNRWUMXGGP-ZDUSSCGKSA-N 1 0 397.317 2.278 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415487307 532847349 /nfs/dbraw/zinc/84/73/49/532847349.db2.gz KOBJVGMIAYINCB-UHFFFAOYSA-N 1 0 378.217 2.300 20 0 GEADRO CC[NH2+]CCNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415493415 532847462 /nfs/dbraw/zinc/84/74/62/532847462.db2.gz BMRIEMZEUWVLJY-UHFFFAOYSA-N 1 0 388.266 2.838 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415490509 532847476 /nfs/dbraw/zinc/84/74/76/532847476.db2.gz JMUCNPCIOUPNAZ-NSHDSACASA-N 1 0 375.803 2.133 20 0 GEADRO C[C@]1(C2CC[NH+](CCOc3cccc(Br)c3)CC2)NC(=O)NC1=O ZINC000331972054 532847115 /nfs/dbraw/zinc/84/71/15/532847115.db2.gz WRQQVQQSWVWDHR-QGZVFWFLSA-N 1 0 396.285 2.138 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415480073 532847147 /nfs/dbraw/zinc/84/71/47/532847147.db2.gz GPNUBNRWUMXGGP-CYBMUJFWSA-N 1 0 397.317 2.278 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1OCC ZINC000415494817 532847251 /nfs/dbraw/zinc/84/72/51/532847251.db2.gz IKRQEZHFPSLACT-GFCCVEGCSA-N 1 0 386.290 2.420 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415501350 532848097 /nfs/dbraw/zinc/84/80/97/532848097.db2.gz OGYREJXKRKPHQD-LLVKDONJSA-N 1 0 382.287 2.923 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415513832 532848234 /nfs/dbraw/zinc/84/82/34/532848234.db2.gz BEAPCFKQBOXORX-NEPJUHHUSA-N 1 0 398.301 2.371 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415517895 532848439 /nfs/dbraw/zinc/84/84/39/532848439.db2.gz LSAWTVZCCYRWTM-CQSZACIVSA-N 1 0 395.301 2.082 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415521906 532848722 /nfs/dbraw/zinc/84/87/22/532848722.db2.gz LUYHMTBPPUBVMI-GHMZBOCLSA-N 1 0 391.269 2.132 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCC3C[NH2+]C3)c(C)c2)n1 ZINC000415533058 532848903 /nfs/dbraw/zinc/84/89/03/532848903.db2.gz HRISIEVHZBVNFC-UHFFFAOYSA-N 1 0 376.507 2.185 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br)C1CC1 ZINC000415542565 532849191 /nfs/dbraw/zinc/84/91/91/532849191.db2.gz VKGFXQGMIFEMEL-SNVBAGLBSA-N 1 0 394.191 2.260 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415538364 532849241 /nfs/dbraw/zinc/84/92/41/532849241.db2.gz IGBKXJBGQDQLCR-PBWFPOADSA-N 1 0 380.286 2.437 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415536031 532849253 /nfs/dbraw/zinc/84/92/53/532849253.db2.gz DZDPCZCRAQAOBM-SFYZADRCSA-N 1 0 392.656 2.376 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1Br ZINC000274394126 532849276 /nfs/dbraw/zinc/84/92/76/532849276.db2.gz ICQBJGDWIKSQRY-TZMCWYRMSA-N 1 0 380.286 2.439 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1Br ZINC000415547547 532849533 /nfs/dbraw/zinc/84/95/33/532849533.db2.gz CYOZGCKLMDMSBJ-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000415547478 532849590 /nfs/dbraw/zinc/84/95/90/532849590.db2.gz GCZPPICOQWVGCG-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415555310 532849990 /nfs/dbraw/zinc/84/99/90/532849990.db2.gz QLMJZBNTEQFUNB-UHFFFAOYSA-N 1 0 384.249 2.129 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415552017 532850000 /nfs/dbraw/zinc/85/00/00/532850000.db2.gz PZIGGHAKOKIGSY-UHFFFAOYSA-N 1 0 384.249 2.129 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415549909 532849695 /nfs/dbraw/zinc/84/96/95/532849695.db2.gz IDGAJIZYTSBWJL-SSDOTTSWSA-N 1 0 382.180 2.260 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415549101 532849804 /nfs/dbraw/zinc/84/98/04/532849804.db2.gz GHNRISFQYKEDGM-SSDOTTSWSA-N 1 0 393.079 2.004 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415552402 532849851 /nfs/dbraw/zinc/84/98/51/532849851.db2.gz FPFUZWRTPQEUQP-JGVFFNPUSA-N 1 0 392.656 2.389 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415555003 532849894 /nfs/dbraw/zinc/84/98/94/532849894.db2.gz AXQWJRIGRNHCEO-UHFFFAOYSA-N 1 0 398.179 2.141 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000415569550 532850267 /nfs/dbraw/zinc/85/02/67/532850267.db2.gz RPNKBXDRATZMQW-YUMQZZPRSA-N 1 0 392.656 2.389 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415561106 532850285 /nfs/dbraw/zinc/85/02/85/532850285.db2.gz GGALLICZNSCSNY-NEPJUHHUSA-N 1 0 398.301 2.371 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415561677 532850291 /nfs/dbraw/zinc/85/02/91/532850291.db2.gz GLHNXATULNJLOJ-BDAKNGLRSA-N 1 0 379.766 2.373 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415571864 532850591 /nfs/dbraw/zinc/85/05/91/532850591.db2.gz RVBOBYHGTSYKIS-UHFFFAOYSA-N 1 0 382.180 2.262 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC[NH2+]CC1 ZINC000415562865 532850408 /nfs/dbraw/zinc/85/04/08/532850408.db2.gz ALGQSYXXSZILEG-UHFFFAOYSA-N 1 0 394.313 2.382 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[NH2+]CC1 ZINC000415565010 532850454 /nfs/dbraw/zinc/85/04/54/532850454.db2.gz UEGOJFKQYHMTDA-UHFFFAOYSA-N 1 0 375.803 2.386 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415580113 532850829 /nfs/dbraw/zinc/85/08/29/532850829.db2.gz QYBLFECYVZSLPP-ZJUUUORDSA-N 1 0 375.803 2.118 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1Br ZINC000415577012 532850846 /nfs/dbraw/zinc/85/08/46/532850846.db2.gz XDDPNXSVPJDWIQ-QGZVFWFLSA-N 1 0 398.301 2.292 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415580109 532850988 /nfs/dbraw/zinc/85/09/88/532850988.db2.gz QYBLFECYVZSLPP-UWVGGRQHSA-N 1 0 375.803 2.118 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415615113 532851230 /nfs/dbraw/zinc/85/12/30/532851230.db2.gz OERFIPSGSKKNPW-OAHLLOKOSA-N 1 0 393.329 2.449 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)nc12 ZINC000332281873 532851484 /nfs/dbraw/zinc/85/14/84/532851484.db2.gz IFDLFAZXAKAOSA-BXUZGUMPSA-N 1 0 380.290 2.284 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Br)c1 ZINC000332298138 532851990 /nfs/dbraw/zinc/85/19/90/532851990.db2.gz KPZMDZJLQXGHAF-STQMWFEESA-N 1 0 380.286 2.072 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Br ZINC000332296764 532852047 /nfs/dbraw/zinc/85/20/47/532852047.db2.gz KJCUYONMNCYBOT-STQMWFEESA-N 1 0 380.286 2.072 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415650962 532852176 /nfs/dbraw/zinc/85/21/76/532852176.db2.gz BVWYYFIZQAHVHN-YPMHNXCESA-N 1 0 398.301 2.432 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000332348702 532852368 /nfs/dbraw/zinc/85/23/68/532852368.db2.gz OIQMWXXWKQUUFR-WHOFXGATSA-N 1 0 380.286 2.282 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415663544 532852617 /nfs/dbraw/zinc/85/26/17/532852617.db2.gz RSYGFFZBVNQIGQ-SNVBAGLBSA-N 1 0 384.267 2.232 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1nc2c(s1)CCCC2 ZINC000332355078 532852821 /nfs/dbraw/zinc/85/28/21/532852821.db2.gz VTGVQKRIXXTRSX-UONOGXRCSA-N 1 0 386.587 2.333 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415674513 532853027 /nfs/dbraw/zinc/85/30/27/532853027.db2.gz DZMHMNZERKJTNI-VIFPVBQESA-N 1 0 390.228 2.253 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415667183 532853112 /nfs/dbraw/zinc/85/31/12/532853112.db2.gz XVSODFURSFWUSD-GXSJLCMTSA-N 1 0 375.803 2.037 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332369664 532853119 /nfs/dbraw/zinc/85/31/19/532853119.db2.gz YRLRBBLWXVMRMN-ZJUUUORDSA-N 1 0 386.677 2.109 20 0 GEADRO CC(C)(CO)[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1cccs1 ZINC000289345308 532852899 /nfs/dbraw/zinc/85/28/99/532852899.db2.gz MISPEIRFWCHRIS-OAHLLOKOSA-N 1 0 381.523 2.485 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1O ZINC000289375078 532853315 /nfs/dbraw/zinc/85/33/15/532853315.db2.gz BQQVTNDMVWONEH-JSGCOSHPSA-N 1 0 398.301 2.189 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000332381022 532853465 /nfs/dbraw/zinc/85/34/65/532853465.db2.gz VARLOEDDULGLLU-OBJOEFQTSA-N 1 0 380.286 2.282 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415683038 532853497 /nfs/dbraw/zinc/85/34/97/532853497.db2.gz WBXHQZFBRWKVGM-GFCCVEGCSA-N 1 0 398.301 2.374 20 0 GEADRO [NH3+]CCCCNC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415706154 532853916 /nfs/dbraw/zinc/85/39/16/532853916.db2.gz LYFHBJLTMMYRPQ-UHFFFAOYSA-N 1 0 375.376 2.964 20 0 GEADRO CC[NH2+]CCNC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415701066 532854095 /nfs/dbraw/zinc/85/40/95/532854095.db2.gz DOCWCSYRCVWQBL-UHFFFAOYSA-N 1 0 375.376 2.835 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000415722080 532854428 /nfs/dbraw/zinc/85/44/28/532854428.db2.gz KIHFCSQHWBFCMA-SECBINFHSA-N 1 0 386.246 2.199 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)C[C@H]21 ZINC000332399584 532854622 /nfs/dbraw/zinc/85/46/22/532854622.db2.gz ZQQFEMZIQTYCOC-GLXFQSAKSA-N 1 0 384.249 2.113 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415692900 532854211 /nfs/dbraw/zinc/85/42/11/532854211.db2.gz SAVWZQVCOXFMOB-VIFPVBQESA-N 1 0 390.228 2.253 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000415694647 532854243 /nfs/dbraw/zinc/85/42/43/532854243.db2.gz VUAMKACWPOWSNI-JTQLQIEISA-N 1 0 375.803 2.467 20 0 GEADRO CS[C@H]1CCCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000332387685 532854313 /nfs/dbraw/zinc/85/43/13/532854313.db2.gz WFCZLUBGZCXQBU-HNNXBMFYSA-N 1 0 385.555 2.093 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415711280 532854395 /nfs/dbraw/zinc/85/43/95/532854395.db2.gz SCWBLCVODBQWQJ-SFYZADRCSA-N 1 0 375.376 2.961 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)ccc1Br ZINC000415709816 532854415 /nfs/dbraw/zinc/85/44/15/532854415.db2.gz KDFWHMUQSHSCRK-UHFFFAOYSA-N 1 0 397.317 2.459 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000415734799 532854939 /nfs/dbraw/zinc/85/49/39/532854939.db2.gz XWPJEEOPFACJAT-SECBINFHSA-N 1 0 386.246 2.070 20 0 GEADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415740319 532854972 /nfs/dbraw/zinc/85/49/72/532854972.db2.gz GWERUIISMYNTGI-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415730760 532855227 /nfs/dbraw/zinc/85/52/27/532855227.db2.gz USHGYTIYIUHRAP-SECBINFHSA-N 1 0 388.262 2.493 20 0 GEADRO CCOC(=O)C(C)(C)c1csc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000415748986 532855492 /nfs/dbraw/zinc/85/54/92/532855492.db2.gz REGCGRQOILOKEW-SECBINFHSA-N 1 0 376.429 2.103 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H](C)CCCC[NH3+])cc1Br ZINC000415744002 532855565 /nfs/dbraw/zinc/85/55/65/532855565.db2.gz OYDHIWVNEWRYCF-NSHDSACASA-N 1 0 386.290 2.420 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000415741050 532855587 /nfs/dbraw/zinc/85/55/87/532855587.db2.gz JTDVLWCUNSUQID-XVKPBYJWSA-N 1 0 394.191 2.355 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415746555 532855654 /nfs/dbraw/zinc/85/56/54/532855654.db2.gz VHHZURUKGDAGGD-SNVBAGLBSA-N 1 0 383.905 2.374 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000415760310 532855923 /nfs/dbraw/zinc/85/59/23/532855923.db2.gz SDJTXWYGVJZWLG-DGCLKSJQSA-N 1 0 378.274 2.897 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415757246 532855950 /nfs/dbraw/zinc/85/59/50/532855950.db2.gz GCQGVVWMYRVVPR-SNVBAGLBSA-N 1 0 379.258 2.179 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415746314 532855447 /nfs/dbraw/zinc/85/54/47/532855447.db2.gz OQEOSKNENRCKCI-WKEGUHRASA-N 1 0 378.629 2.128 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000415748216 532855449 /nfs/dbraw/zinc/85/54/49/532855449.db2.gz XYSXNQIBTUYGAA-LLVKDONJSA-N 1 0 386.290 2.420 20 0 GEADRO C[C@H]1C[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000332502068 532856571 /nfs/dbraw/zinc/85/65/71/532856571.db2.gz RKIKEHWNJZMOPU-WCQYABFASA-N 1 0 383.286 2.362 20 0 GEADRO C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[C@@H]1[NH3+] ZINC000415763524 532856493 /nfs/dbraw/zinc/85/64/93/532856493.db2.gz XWLAOCFXTNZKGK-FZMZJTMJSA-N 1 0 378.274 2.836 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)[C@H](C)C[NH2+]1 ZINC000415762019 532856538 /nfs/dbraw/zinc/85/65/38/532856538.db2.gz VIBFTWJMSIINEZ-VXGBXAGGSA-N 1 0 378.274 2.849 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415789182 532857118 /nfs/dbraw/zinc/85/71/18/532857118.db2.gz PHDXGMWDFSYJEA-MRVPVSSYSA-N 1 0 382.180 2.260 20 0 GEADRO COC(=O)c1ccc(CN(C)CCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000289507133 532857168 /nfs/dbraw/zinc/85/71/68/532857168.db2.gz UHUUHIGLUFMCCS-UHFFFAOYSA-N 1 0 398.345 2.305 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415786199 532857182 /nfs/dbraw/zinc/85/71/82/532857182.db2.gz PLYPVQYIQMGHFC-ZETCQYMHSA-N 1 0 380.645 2.424 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F)C1CC([NH3+])C1 ZINC000415789062 532857363 /nfs/dbraw/zinc/85/73/63/532857363.db2.gz MOCKHHMLSNRIKG-UHFFFAOYSA-N 1 0 394.191 2.355 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cc2s1 ZINC000415784208 532857385 /nfs/dbraw/zinc/85/73/85/532857385.db2.gz IYJHKOQEODIXJW-MRVPVSSYSA-N 1 0 376.816 2.295 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415781475 532857411 /nfs/dbraw/zinc/85/74/11/532857411.db2.gz FJRHUIWOPBJJCF-SSDOTTSWSA-N 1 0 382.180 2.260 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332591830 532857527 /nfs/dbraw/zinc/85/75/27/532857527.db2.gz MBOVZVDUHRZCCV-ZJUUUORDSA-N 1 0 386.677 2.109 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)C1 ZINC000332591427 532857575 /nfs/dbraw/zinc/85/75/75/532857575.db2.gz KOCVIRJPKPXYFE-NWDGAFQWSA-N 1 0 384.307 2.464 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2[nH]ncc2C)c1 ZINC000289495704 532857043 /nfs/dbraw/zinc/85/70/43/532857043.db2.gz LMQZKNLIIVMCBG-UHFFFAOYSA-N 1 0 381.274 2.399 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(I)cc2OC)C1 ZINC000415775410 532857076 /nfs/dbraw/zinc/85/70/76/532857076.db2.gz UDISNTOOUBKYKY-JTQLQIEISA-N 1 0 389.237 2.373 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cc(C)c1Br ZINC000415795248 532857616 /nfs/dbraw/zinc/85/76/16/532857616.db2.gz WRCXRWUFVBQBCT-SNVBAGLBSA-N 1 0 378.217 2.103 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415808014 532858310 /nfs/dbraw/zinc/85/83/10/532858310.db2.gz LOPLCORHOWZZBD-MNOVXSKESA-N 1 0 386.265 2.469 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415804267 532858313 /nfs/dbraw/zinc/85/83/13/532858313.db2.gz LDSDOGZRFAMDMP-GFCCVEGCSA-N 1 0 384.274 2.045 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415825286 532858701 /nfs/dbraw/zinc/85/87/01/532858701.db2.gz ZANABFCSYCHPKQ-AWEZNQCLSA-N 1 0 398.301 2.338 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000289551430 532858724 /nfs/dbraw/zinc/85/87/24/532858724.db2.gz KKDVZUJSLYOKPT-XJKSGUPXSA-N 1 0 382.302 2.446 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br)[C@H](C)[NH3+] ZINC000415817666 532858761 /nfs/dbraw/zinc/85/87/61/532858761.db2.gz YYVJAGHMAHFOAA-NKWVEPMBSA-N 1 0 398.179 2.138 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000332642930 532858904 /nfs/dbraw/zinc/85/89/04/532858904.db2.gz JKWZASWPRXZDBC-HZSPNIEDSA-N 1 0 394.313 2.401 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415826359 532858553 /nfs/dbraw/zinc/85/85/53/532858553.db2.gz BGIMETHRYLOYGI-HTQZYQBOSA-N 1 0 392.656 2.424 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415817665 532858562 /nfs/dbraw/zinc/85/85/62/532858562.db2.gz YYVJAGHMAHFOAA-BQBZGAKWSA-N 1 0 398.179 2.138 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c(Br)c1 ZINC000415820538 532858649 /nfs/dbraw/zinc/85/86/49/532858649.db2.gz BSEROBLCMMNNOA-AWEZNQCLSA-N 1 0 384.274 2.030 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C(F)(F)F ZINC000415834640 532859243 /nfs/dbraw/zinc/85/92/43/532859243.db2.gz LFVUAKLGEHAQJV-VIFPVBQESA-N 1 0 389.708 2.276 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415826800 532859476 /nfs/dbraw/zinc/85/94/76/532859476.db2.gz CBXJLCBQIVRFFX-GWCFXTLKSA-N 1 0 391.269 2.179 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000415832434 532859346 /nfs/dbraw/zinc/85/93/46/532859346.db2.gz LHDFASWLIIAKLF-QWRGUYRKSA-N 1 0 384.274 2.030 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415841515 532859605 /nfs/dbraw/zinc/85/96/05/532859605.db2.gz NSLLPDVXKMPCOX-PIGZYNQJSA-N 1 0 398.301 2.148 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1Br ZINC000415836431 532859726 /nfs/dbraw/zinc/85/97/26/532859726.db2.gz DWUUKZWSAXSGGM-SJKOYZFVSA-N 1 0 382.302 2.448 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415840857 532859792 /nfs/dbraw/zinc/85/97/92/532859792.db2.gz QBBCPPCIJRTGJN-WDEREUQCSA-N 1 0 391.269 2.179 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)C(F)(F)F ZINC000415837693 532859919 /nfs/dbraw/zinc/85/99/19/532859919.db2.gz NLWYKMHADZWLFK-SECBINFHSA-N 1 0 389.708 2.276 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@@H]1C[NH3+] ZINC000415835504 532859921 /nfs/dbraw/zinc/85/99/21/532859921.db2.gz BHYAACCFZPZBOD-UWVGGRQHSA-N 1 0 375.803 2.323 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000415845527 532860124 /nfs/dbraw/zinc/86/01/24/532860124.db2.gz RWQNAKXHBAUNJR-RDDDGLTNSA-N 1 0 394.191 2.212 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000289616402 532860192 /nfs/dbraw/zinc/86/01/92/532860192.db2.gz FKOIAYMTPIBWPU-GFCCVEGCSA-N 1 0 386.309 2.319 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C[C@H]1C[NH3+] ZINC000415844548 532860212 /nfs/dbraw/zinc/86/02/12/532860212.db2.gz JCGQWCZKOSRBCV-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415846496 532860282 /nfs/dbraw/zinc/86/02/82/532860282.db2.gz VTOWBZXCAKEKEC-JQWIXIFHSA-N 1 0 384.274 2.030 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415849914 532860545 /nfs/dbraw/zinc/86/05/45/532860545.db2.gz NCSBQNNJLZTZME-PWSUYJOCSA-N 1 0 398.301 2.148 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c(F)cc1Br ZINC000415854338 532860582 /nfs/dbraw/zinc/86/05/82/532860582.db2.gz WFBNMJNERMYSKI-ONGXEEELSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C[C@@H]1C[NH3+] ZINC000415855077 532860633 /nfs/dbraw/zinc/86/06/33/532860633.db2.gz XTEBTGHRQFPIRS-IUCAKERBSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(F)cc1Br ZINC000415854337 532860743 /nfs/dbraw/zinc/86/07/43/532860743.db2.gz WFBNMJNERMYSKI-MWLCHTKSSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1Br ZINC000415850512 532860786 /nfs/dbraw/zinc/86/07/86/532860786.db2.gz NVMJSQRZJNKCLV-MWLCHTKSSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415852817 532860787 /nfs/dbraw/zinc/86/07/87/532860787.db2.gz RSLVYHBASLLEQC-MWLCHTKSSA-N 1 0 386.265 2.278 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000415864100 532860989 /nfs/dbraw/zinc/86/09/89/532860989.db2.gz HINLOZKJGFGEKL-WDEREUQCSA-N 1 0 386.279 2.399 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000415867325 532861244 /nfs/dbraw/zinc/86/12/44/532861244.db2.gz ATKQINSTDPKUTL-OUCADQQQSA-N 1 0 380.286 2.200 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1[NH3+] ZINC000332716009 532861109 /nfs/dbraw/zinc/86/11/09/532861109.db2.gz ZEFBKBYAYBGXEV-WKPIXPDZSA-N 1 0 385.295 2.477 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415874688 532861562 /nfs/dbraw/zinc/86/15/62/532861562.db2.gz XIADLJGRARAWIK-VNHYZAJKSA-N 1 0 394.313 2.454 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415879974 532861470 /nfs/dbraw/zinc/86/14/70/532861470.db2.gz QOWQXBONXGZLHR-UHFFFAOYSA-N 1 0 380.286 2.430 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)c(Br)c1 ZINC000415881533 532862092 /nfs/dbraw/zinc/86/20/92/532862092.db2.gz UVPOKYHYJKAKOZ-UHFFFAOYSA-N 1 0 380.286 2.430 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000275043659 532861979 /nfs/dbraw/zinc/86/19/79/532861979.db2.gz SAYWQABURKPMKW-NHYWBVRUSA-N 1 0 380.286 2.295 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@@H](CO)c1cccc(Br)c1)C(F)(F)F ZINC000416001312 532862318 /nfs/dbraw/zinc/86/23/18/532862318.db2.gz CDPRYYNTGPUEPO-QWRGUYRKSA-N 1 0 384.196 2.061 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2)C(F)(F)F ZINC000415998802 532862628 /nfs/dbraw/zinc/86/26/28/532862628.db2.gz UZYJMDCQRABBMR-GFCCVEGCSA-N 1 0 381.782 2.233 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(F)(F)F ZINC000415992163 532862520 /nfs/dbraw/zinc/86/25/20/532862520.db2.gz AUHQALTWAPBXJW-RYUDHWBXSA-N 1 0 378.782 2.024 20 0 GEADRO CCN(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H](C)CS(C)(=O)=O ZINC000415975350 532862559 /nfs/dbraw/zinc/86/25/59/532862559.db2.gz TVKJHTRQUZOQAU-SNVBAGLBSA-N 1 0 381.420 2.451 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NC[C@@H](CO)Cc1c(F)cccc1Cl)C(F)(F)F ZINC000416008610 532863098 /nfs/dbraw/zinc/86/30/98/532863098.db2.gz ODDKXDHCXBIVET-ZANVPECISA-N 1 0 385.789 2.209 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCCNc1cccc(Br)c1)C(F)(F)F ZINC000416036807 532863576 /nfs/dbraw/zinc/86/35/76/532863576.db2.gz YYMNYYAARYERBT-LLVKDONJSA-N 1 0 383.212 2.440 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCCCCn1cc(Br)cn1)C(F)(F)F ZINC000416040544 532863612 /nfs/dbraw/zinc/86/36/12/532863612.db2.gz HLPWWIOJXUXELR-SNVBAGLBSA-N 1 0 386.216 2.005 20 0 GEADRO CN(C(=O)c1cnn2cc(Br)cnc12)C(C)(C)C[NH+]1CCCC1 ZINC000416111847 532864212 /nfs/dbraw/zinc/86/42/12/532864212.db2.gz WAJQXDAEASNSNJ-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000275092756 532864223 /nfs/dbraw/zinc/86/42/23/532864223.db2.gz IIWIBIUURLAECM-WCQYABFASA-N 1 0 395.219 2.483 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000289790644 532864972 /nfs/dbraw/zinc/86/49/72/532864972.db2.gz OJZVGPVWIICPRH-UHFFFAOYSA-N 1 0 376.682 2.338 20 0 GEADRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccnc4c(Br)cccc34)C2)N1 ZINC000333154092 532865560 /nfs/dbraw/zinc/86/55/60/532865560.db2.gz BFVWHWHKSAWHBS-QGZVFWFLSA-N 1 0 389.253 2.171 20 0 GEADRO OCc1cn(CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)nn1 ZINC000289844341 532866239 /nfs/dbraw/zinc/86/62/39/532866239.db2.gz QBCPCIHWBKAHRR-OAHLLOKOSA-N 1 0 381.274 2.427 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333336754 532866925 /nfs/dbraw/zinc/86/69/25/532866925.db2.gz PBLZFWYNAIBJSM-DOMZBBRYSA-N 1 0 390.285 2.851 20 0 GEADRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000275184487 532867900 /nfs/dbraw/zinc/86/79/00/532867900.db2.gz DZJVKMKNKNLHOG-GJZGRUSLSA-N 1 0 398.301 2.051 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333390115 532868161 /nfs/dbraw/zinc/86/81/61/532868161.db2.gz XICRWZPPEKZXKA-OLZOCXBDSA-N 1 0 390.285 2.708 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cnc4ccsc4c3)CC2)C1 ZINC000333473831 532868826 /nfs/dbraw/zinc/86/88/26/532868826.db2.gz BDVGEWHNRLZYLA-CJNGLKHVSA-N 1 0 381.523 2.203 20 0 GEADRO C[C@H](CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000289976616 532869568 /nfs/dbraw/zinc/86/95/68/532869568.db2.gz QINGMMZXASHTEB-PBHICJAKSA-N 1 0 380.330 2.449 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000333501984 532869875 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COc1cc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)ccc1Br ZINC000276182163 532890409 /nfs/dbraw/zinc/89/04/09/532890409.db2.gz TZTIRGSLGRSBLQ-LLVKDONJSA-N 1 0 396.285 2.163 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCOc1ncccc1Cl)CCC2 ZINC000290819156 532890610 /nfs/dbraw/zinc/89/06/10/532890610.db2.gz WWGKNBOIKLVFLS-INIZCTEOSA-N 1 0 381.885 2.428 20 0 GEADRO Cc1ccc(Br)nc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000276188093 532890693 /nfs/dbraw/zinc/89/06/93/532890693.db2.gz WKKCIKQAFAZQTR-UHFFFAOYSA-N 1 0 379.258 2.128 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423094612 532893269 /nfs/dbraw/zinc/89/32/69/532893269.db2.gz CCZFDSDYPCPJFW-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO [NH3+][C@@H]1C[C@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)c2ccccc21 ZINC000423098017 532893451 /nfs/dbraw/zinc/89/34/51/532893451.db2.gz JQDNBWVRKQVEKJ-CVEARBPZSA-N 1 0 383.876 2.492 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423078507 532893561 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20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000276371480 532894315 /nfs/dbraw/zinc/89/43/15/532894315.db2.gz BUMOTIMSBGKUCS-UHFFFAOYSA-N 1 0 389.587 2.034 20 0 GEADRO O=C(CCc1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000361922866 532894527 /nfs/dbraw/zinc/89/45/27/532894527.db2.gz AVPAKQUZCBITGU-DLBZAZTESA-N 1 0 381.314 2.439 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)CSCc2ccc(Br)cc2F)CCCO1 ZINC000424026488 532894657 /nfs/dbraw/zinc/89/46/57/532894657.db2.gz UYINHIOLAOWRBL-ZDUSSCGKSA-N 1 0 391.306 2.398 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)C1 ZINC000423027694 532892902 /nfs/dbraw/zinc/89/29/02/532892902.db2.gz RTGFIEHANVPWLI-MNOVXSKESA-N 1 0 388.331 2.055 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000423013555 532893041 /nfs/dbraw/zinc/89/30/41/532893041.db2.gz GCJNNGWSTCXCNS-CAPXZKIUSA-N 1 0 385.302 2.408 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N(C)CCc2cccc(Br)c2)CC1 ZINC000291011203 532895036 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GEADRO OC[C@H](C[NH2+]Cc1c(Br)cncc1Br)[C@H]1CCOC1 ZINC000291512939 532903328 /nfs/dbraw/zinc/90/33/28/532903328.db2.gz IMGNJQCONQCWOW-UWVGGRQHSA-N 1 0 394.107 2.341 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1Br ZINC000364261054 532905631 /nfs/dbraw/zinc/90/56/31/532905631.db2.gz SRGHJMVQOSLNLZ-LSDHHAIUSA-N 1 0 389.315 2.350 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)NCCC[NH+]2CCCCC2)cc1Cl ZINC000276952579 532904149 /nfs/dbraw/zinc/90/41/49/532904149.db2.gz CUVSBRAAPSYXAQ-UHFFFAOYSA-N 1 0 387.933 2.419 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c1 ZINC000364184090 532904301 /nfs/dbraw/zinc/90/43/01/532904301.db2.gz QBSCWJMIAJALKZ-CABCVRRESA-N 1 0 389.315 2.350 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000276963921 532904711 /nfs/dbraw/zinc/90/47/11/532904711.db2.gz DHMOMEJJHQMHEZ-CYBMUJFWSA-N 1 0 385.917 2.027 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000291638183 532906044 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O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366317932 532916266 /nfs/dbraw/zinc/91/62/66/532916266.db2.gz FGIWBDJDQNOCGZ-GXSJLCMTSA-N 1 0 379.707 2.475 20 0 GEADRO C[C@@H]1CN(C(=O)c2nccn3c(Br)cnc23)CC[N@@H+](C2CCC2)C1 ZINC000292410686 532916312 /nfs/dbraw/zinc/91/63/12/532916312.db2.gz PCHZUECWAKFVQL-LBPRGKRZSA-N 1 0 392.301 2.438 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000366336924 532916414 /nfs/dbraw/zinc/91/64/14/532916414.db2.gz BNGQNSPOZJVLTJ-HUUCEWRRSA-N 1 0 386.279 2.301 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)C[NH+](C)C ZINC000292451165 532916655 /nfs/dbraw/zinc/91/66/55/532916655.db2.gz SQDCUIRSWVZJJM-JTQLQIEISA-N 1 0 377.819 2.236 20 0 GEADRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366510511 532918402 /nfs/dbraw/zinc/91/84/02/532918402.db2.gz KAKTZIZEIJYSRY-APHBMKBZSA-N 1 0 382.291 2.418 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292783675 532918442 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CS[C@H]1CN(C(=O)C2CCN(Cc3csc(C)n3)CC2)C[C@@H]1[NH+](C)C ZINC000371446692 532948178 /nfs/dbraw/zinc/94/81/78/532948178.db2.gz GGMFSRSIFDTCDI-IRXDYDNUSA-N 1 0 382.599 2.168 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000371538240 532948455 /nfs/dbraw/zinc/94/84/55/532948455.db2.gz KQMPFYWZKJPYPZ-RAIGVLPGSA-N 1 0 394.324 2.261 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2ccc(F)c(Br)c2)C1=O ZINC000371091413 532947044 /nfs/dbraw/zinc/94/70/44/532947044.db2.gz VQIRUPLIRRZOIP-BZNIZROVSA-N 1 0 384.249 2.398 20 0 GEADRO Cn1cc([C@@H]2C[N@H+](Cc3cc(Br)cc4c3OCC4)C[C@H]2CO)cn1 ZINC000373225776 570845265 /nfs/dbraw/zinc/84/52/65/570845265.db2.gz BAANYGULWPDCNX-RDJZCZTQSA-N 1 0 392.297 2.325 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000738388291 598833889 /nfs/dbraw/zinc/83/38/89/598833889.db2.gz RYWWHJOCPYZMKX-PXNSSMCTSA-N 1 0 395.463 2.150 20 0 GEADRO c1sc(C2CC2)nc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738413661 598837995 /nfs/dbraw/zinc/83/79/95/598837995.db2.gz TYGIVCDBXZYFMD-UHFFFAOYSA-N 1 0 382.497 2.354 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000736765201 598841071 /nfs/dbraw/zinc/84/10/71/598841071.db2.gz VVEXNQDXURSMJE-CQSZACIVSA-N 1 0 396.451 2.062 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)CCOc1ccccc1 ZINC000737524633 598850510 /nfs/dbraw/zinc/85/05/10/598850510.db2.gz OUKQZXWEURNSNI-UHFFFAOYSA-N 1 0 390.451 2.402 20 0 GEADRO COCC[N@H+](Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000737009244 598851806 /nfs/dbraw/zinc/85/18/06/598851806.db2.gz YDJMWVGELHAKNW-UHFFFAOYSA-N 1 0 382.472 2.282 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265776 598868149 /nfs/dbraw/zinc/86/81/49/598868149.db2.gz CTQGZSJFFWARID-SJORKVTESA-N 1 0 397.527 2.392 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000737023559 598868534 /nfs/dbraw/zinc/86/85/34/598868534.db2.gz MTXCZTRSSQOQNV-UHFFFAOYSA-N 1 0 396.451 2.263 20 0 GEADRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736382923 598896828 /nfs/dbraw/zinc/89/68/28/598896828.db2.gz OHZQVDMABXBKOB-HZPDHXFCSA-N 1 0 392.891 2.474 20 0 GEADRO O=C(NCC[NH+]1CCCC1)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000738075266 598932251 /nfs/dbraw/zinc/93/22/51/598932251.db2.gz MFHBDACGOCSKFU-UHFFFAOYSA-N 1 0 392.463 2.271 20 0 GEADRO O=C(CCN1CC[NH+](C2CCC2)CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737843182 598946376 /nfs/dbraw/zinc/94/63/76/598946376.db2.gz ITWTYFXRPXUFNI-UHFFFAOYSA-N 1 0 389.891 2.019 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000737296943 598951950 /nfs/dbraw/zinc/95/19/50/598951950.db2.gz BULQDWOENNWXMH-UHFFFAOYSA-N 1 0 392.529 2.108 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736457616 598954006 /nfs/dbraw/zinc/95/40/06/598954006.db2.gz QCPVMKPCCVGMQT-INIZCTEOSA-N 1 0 392.529 2.108 20 0 GEADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000737074535 598959808 /nfs/dbraw/zinc/95/98/08/598959808.db2.gz XICVXFJXTPIDJH-SJCJKPOMSA-N 1 0 396.426 2.471 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000737033251 598981280 /nfs/dbraw/zinc/98/12/80/598981280.db2.gz SLRVWYFLLXPNHS-UHFFFAOYSA-N 1 0 383.408 2.115 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(OCC(C)C)CC1 ZINC000737031026 598982872 /nfs/dbraw/zinc/98/28/72/598982872.db2.gz CVWNPKAYHNJDDR-UHFFFAOYSA-N 1 0 375.473 2.391 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000737030866 598985956 /nfs/dbraw/zinc/98/59/56/598985956.db2.gz BAOMSDZCLJMVJR-KRWDZBQOSA-N 1 0 386.500 2.204 20 0 GEADRO O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737874884 598988386 /nfs/dbraw/zinc/98/83/86/598988386.db2.gz DQNPLLOGPMYLHJ-AWEZNQCLSA-N 1 0 389.891 2.019 20 0 GEADRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737874885 598988767 /nfs/dbraw/zinc/98/87/67/598988767.db2.gz DQNPLLOGPMYLHJ-CQSZACIVSA-N 1 0 389.891 2.019 20 0 GEADRO CCC[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000736471853 598989641 /nfs/dbraw/zinc/98/96/41/598989641.db2.gz XHXDESSFYYERHX-UHOSZYNNSA-N 1 0 398.511 2.008 20 0 GEADRO CCC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000736471785 598989655 /nfs/dbraw/zinc/98/96/55/598989655.db2.gz WJYAQLJJKYZNRJ-GLQYFDAESA-N 1 0 390.513 2.392 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C[C@@H]1C ZINC000736565744 599007734 /nfs/dbraw/zinc/00/77/34/599007734.db2.gz PLUREDHMXXLTCX-NWDGAFQWSA-N 1 0 398.920 2.013 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000736565087 599008130 /nfs/dbraw/zinc/00/81/30/599008130.db2.gz HKGDUCGVAZXXQV-RYUDHWBXSA-N 1 0 398.920 2.013 20 0 GEADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736275822 599022120 /nfs/dbraw/zinc/02/21/20/599022120.db2.gz DNSUCBOMLRERTH-HNNXBMFYSA-N 1 0 391.479 2.424 20 0 GEADRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccnc1 ZINC000735976793 599023277 /nfs/dbraw/zinc/02/32/77/599023277.db2.gz UNLVDJQCVLECBA-INIZCTEOSA-N 1 0 393.495 2.346 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736860365 599032847 /nfs/dbraw/zinc/03/28/47/599032847.db2.gz NYBGVXOIWRINFU-GOSISDBHSA-N 1 0 392.463 2.270 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000735732923 599034325 /nfs/dbraw/zinc/03/43/25/599034325.db2.gz CQCQZMNRXGRZQJ-QAPCUYQASA-N 1 0 386.500 2.070 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736294057 599077077 /nfs/dbraw/zinc/07/70/77/599077077.db2.gz WAYKIIUQMWZEND-CRAIPNDOSA-N 1 0 386.500 2.214 20 0 GEADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736232352 599078892 /nfs/dbraw/zinc/07/88/92/599078892.db2.gz CQLLDBSRMIZSSC-HNAYVOBHSA-N 1 0 376.464 2.361 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000736226976 599078990 /nfs/dbraw/zinc/07/89/90/599078990.db2.gz KBDUUDGDURGZBE-RDJZCZTQSA-N 1 0 386.500 2.357 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000736226978 599079526 /nfs/dbraw/zinc/07/95/26/599079526.db2.gz KBDUUDGDURGZBE-WBVHZDCISA-N 1 0 386.500 2.357 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735975 599087457 /nfs/dbraw/zinc/08/74/57/599087457.db2.gz FXIJOMFMYASQEQ-HNNXBMFYSA-N 1 0 390.369 2.244 20 0 GEADRO CN(C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000736856062 599091557 /nfs/dbraw/zinc/09/15/57/599091557.db2.gz KRIDTKDUCOHCGS-MRXNPFEDSA-N 1 0 393.451 2.220 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCc1csc2ccccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736678 599092659 /nfs/dbraw/zinc/09/26/59/599092659.db2.gz KUOPNBHNAYVRHK-KRWDZBQOSA-N 1 0 378.461 2.440 20 0 GEADRO Cc1[nH]c2ccccc2c1CC[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737201073 599098373 /nfs/dbraw/zinc/09/83/73/599098373.db2.gz YHRTVPNYIHMWOT-SFHVURJKSA-N 1 0 375.436 2.015 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000737188778 599107470 /nfs/dbraw/zinc/10/74/70/599107470.db2.gz GOMQBYDRHMIKIF-JQWIXIFHSA-N 1 0 387.513 2.074 20 0 GEADRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736276794 599132720 /nfs/dbraw/zinc/13/27/20/599132720.db2.gz QHZOUQLGMPUNBE-KRWDZBQOSA-N 1 0 397.527 2.249 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1cccs1 ZINC000821579481 599157363 /nfs/dbraw/zinc/15/73/63/599157363.db2.gz CHLRDPQBNIXCJG-AWEZNQCLSA-N 1 0 389.460 2.169 20 0 GEADRO O=C(COc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NCC1CC1 ZINC000737932596 599177270 /nfs/dbraw/zinc/17/72/70/599177270.db2.gz ZHFSWUSFHLQLQS-UHFFFAOYSA-N 1 0 392.463 2.062 20 0 GEADRO O[C@@H](C[NH+]1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738380254 599205146 /nfs/dbraw/zinc/20/51/46/599205146.db2.gz FNYVFTNURZQSSX-SFHVURJKSA-N 1 0 384.871 2.376 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821088740 599206815 /nfs/dbraw/zinc/20/68/15/599206815.db2.gz UOMAAVKCEWUWCQ-MRXNPFEDSA-N 1 0 388.541 2.290 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736792768 599251025 /nfs/dbraw/zinc/25/10/25/599251025.db2.gz NXFBDTPAXSPPSQ-PKOBYXMFSA-N 1 0 397.527 2.168 20 0 GEADRO Cc1c(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822088922 607287293 /nfs/dbraw/zinc/28/72/93/607287293.db2.gz BKOPWIHJBSSKJH-MRXNPFEDSA-N 1 0 379.468 2.470 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736236394 599271346 /nfs/dbraw/zinc/27/13/46/599271346.db2.gz JCENJJMDHIITSD-IIDMSEBBSA-N 1 0 383.500 2.142 20 0 GEADRO C[C@H](NC(=O)CSCc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C[NH+](C)C ZINC000736104715 599278299 /nfs/dbraw/zinc/27/82/99/599278299.db2.gz JCMPHVOQJINFIS-ZDUSSCGKSA-N 1 0 376.530 2.192 20 0 GEADRO CCC(CC)[N@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CC1 ZINC000736345177 598233117 /nfs/dbraw/zinc/23/31/17/598233117.db2.gz FRVMDUPBFDMKEZ-HXUWFJFHSA-N 1 0 397.483 2.244 20 0 GEADRO CC(C)C[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735794959 598234224 /nfs/dbraw/zinc/23/42/24/598234224.db2.gz JGEHWVHHJBJPLB-JXFKEZNVSA-N 1 0 397.483 2.102 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000735737126 598240946 /nfs/dbraw/zinc/24/09/46/598240946.db2.gz ZFCPDLWMLGGXFA-SFHVURJKSA-N 1 0 386.500 2.261 20 0 GEADRO O=C(CC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)N1CCCCC1 ZINC000737839916 598249389 /nfs/dbraw/zinc/24/93/89/598249389.db2.gz WTPOVEIOBFIUFM-UHFFFAOYSA-N 1 0 384.484 2.113 20 0 GEADRO Cc1ccc(C)n1C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737328218 598249922 /nfs/dbraw/zinc/24/99/22/598249922.db2.gz FEJJRUWJNLMRHN-IBGZPJMESA-N 1 0 396.495 2.362 20 0 GEADRO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736908622 598250011 /nfs/dbraw/zinc/25/00/11/598250011.db2.gz HBXCISNCTBRLNA-UNEWFSDZSA-N 1 0 380.452 2.426 20 0 GEADRO CC(C)COC(=O)N1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735839526 598254748 /nfs/dbraw/zinc/25/47/48/598254748.db2.gz XGHLELBEDUITKR-UHFFFAOYSA-N 1 0 388.472 2.046 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000737289988 598265926 /nfs/dbraw/zinc/26/59/26/598265926.db2.gz AQPKEJZBLLROJY-UHFFFAOYSA-N 1 0 399.499 2.141 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000736772046 598318031 /nfs/dbraw/zinc/31/80/31/598318031.db2.gz VMGWPSQOAOOMKG-UHFFFAOYSA-N 1 0 383.431 2.067 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000736268591 598318377 /nfs/dbraw/zinc/31/83/77/598318377.db2.gz YHNULBPRFYZVJX-CYBMUJFWSA-N 1 0 389.479 2.316 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000736230351 598318424 /nfs/dbraw/zinc/31/84/24/598318424.db2.gz SMQZCJHJMRVKMY-OKILXGFUSA-N 1 0 389.479 2.173 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000738410240 598321370 /nfs/dbraw/zinc/32/13/70/598321370.db2.gz XHQRANNKMDCEHO-ZIAGYGMSSA-N 1 0 377.905 2.433 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000738410239 598321397 /nfs/dbraw/zinc/32/13/97/598321397.db2.gz XHQRANNKMDCEHO-UONOGXRCSA-N 1 0 377.905 2.433 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1cccs1 ZINC000736757799 598324014 /nfs/dbraw/zinc/32/40/14/598324014.db2.gz DIYHDUFJKLVHEB-CQSZACIVSA-N 1 0 389.460 2.169 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)([NH+](C)C)C1 ZINC000736249908 598325377 /nfs/dbraw/zinc/32/53/77/598325377.db2.gz LPDWMLUFMBMDDS-ORAYPTAESA-N 1 0 389.479 2.316 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)C1CCCCC1 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SRQZDPPVZCVTLK-NRFANRHFSA-N 1 0 376.464 2.324 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000736184302 598501335 /nfs/dbraw/zinc/50/13/35/598501335.db2.gz YCUCRWGJPIUFGJ-HOTGVXAUSA-N 1 0 384.484 2.111 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000735887529 598505038 /nfs/dbraw/zinc/50/50/38/598505038.db2.gz BHRGVQXBLIUKII-AWEZNQCLSA-N 1 0 391.907 2.311 20 0 GEADRO Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CCS2 ZINC000737668542 598520559 /nfs/dbraw/zinc/52/05/59/598520559.db2.gz VXATXRPDOLKJNW-IINYFYTJSA-N 1 0 386.460 2.071 20 0 GEADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735915173 598522393 /nfs/dbraw/zinc/52/23/93/598522393.db2.gz ZKJJMRCAAFXAJC-UONOGXRCSA-N 1 0 382.472 2.243 20 0 GEADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735915172 598522697 /nfs/dbraw/zinc/52/26/97/598522697.db2.gz ZKJJMRCAAFXAJC-KGLIPLIRSA-N 1 0 382.472 2.243 20 0 GEADRO CC(C)C[N@H+](CC(=O)NCc1ccccn1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735827528 598523438 /nfs/dbraw/zinc/52/34/38/598523438.db2.gz OWKXHHFNLYWFNR-UHFFFAOYSA-N 1 0 379.468 2.036 20 0 GEADRO C[C@](O)(C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000736135576 598523501 /nfs/dbraw/zinc/52/35/01/598523501.db2.gz BQHVTMDCODWQSM-NRFANRHFSA-N 1 0 378.480 2.287 20 0 GEADRO Cc1cccc(C2([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)c1 ZINC000737389158 598529980 /nfs/dbraw/zinc/52/99/80/598529980.db2.gz JHSLJKQIMCTHTP-OAHLLOKOSA-N 1 0 378.484 2.472 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000736568995 598557450 /nfs/dbraw/zinc/55/74/50/598557450.db2.gz HALGDQBEFHDZKH-UHFFFAOYSA-N 1 0 396.451 2.207 20 0 GEADRO O=C(CC1CCCC1)NC1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737815486 598558919 /nfs/dbraw/zinc/55/89/19/598558919.db2.gz WQCVXPAGNUMEBV-UHFFFAOYSA-N 1 0 398.511 2.406 20 0 GEADRO CCNC(=O)[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736573493 598560464 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ZVCWZOWWBKWYJK-OAHLLOKOSA-N 1 0 385.516 2.295 20 0 GEADRO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736170290 598666236 /nfs/dbraw/zinc/66/62/36/598666236.db2.gz PBFCJVQDFCFQDG-HZPDHXFCSA-N 1 0 394.479 2.271 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736861086 598673791 /nfs/dbraw/zinc/67/37/91/598673791.db2.gz YHNGQRZEWIEQNG-HNNXBMFYSA-N 1 0 375.908 2.126 20 0 GEADRO CN(C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)C1CC[NH+](C)CC1 ZINC000736851894 598675021 /nfs/dbraw/zinc/67/50/21/598675021.db2.gz MIMWUGCBOLCOBU-UHFFFAOYSA-N 1 0 393.451 2.220 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735875843 598681149 /nfs/dbraw/zinc/68/11/49/598681149.db2.gz RQLSOWYHNQMIJB-UHFFFAOYSA-N 1 0 386.500 2.405 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000737833398 598685707 /nfs/dbraw/zinc/68/57/07/598685707.db2.gz QVDFGOVFYUQJIK-OAHLLOKOSA-N 1 0 384.484 2.016 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000738027195 598685963 /nfs/dbraw/zinc/68/59/63/598685963.db2.gz XBMYOGHGFSKDGJ-HNNXBMFYSA-N 1 0 391.435 2.021 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736847557 598687261 /nfs/dbraw/zinc/68/72/61/598687261.db2.gz HGTJPSPXOVUHGX-UHFFFAOYSA-N 1 0 393.451 2.126 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000736571448 598694544 /nfs/dbraw/zinc/69/45/44/598694544.db2.gz RNSZBLNGMZQYCS-MAUKXSAKSA-N 1 0 386.500 2.261 20 0 GEADRO C[NH+]1CCC(NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736856200 598699093 /nfs/dbraw/zinc/69/90/93/598699093.db2.gz ODDMBUSFPDYTAO-UHFFFAOYSA-N 1 0 378.436 2.483 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000735889313 598700094 /nfs/dbraw/zinc/70/00/94/598700094.db2.gz YNRMWNWDOQFGRV-CRAIPNDOSA-N 1 0 386.500 2.259 20 0 GEADRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736020673 598704630 /nfs/dbraw/zinc/70/46/30/598704630.db2.gz TXGVPKVHPYSOIF-ZDUSSCGKSA-N 1 0 385.472 2.464 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737194705 598708036 /nfs/dbraw/zinc/70/80/36/598708036.db2.gz RBICSEIUIDWIET-MRXNPFEDSA-N 1 0 391.479 2.012 20 0 GEADRO C[NH+]1CCC(CCNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000736847683 598725843 /nfs/dbraw/zinc/72/58/43/598725843.db2.gz IYSRRGMSKQYCIU-UHFFFAOYSA-N 1 0 395.414 2.322 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000736637903 598760502 /nfs/dbraw/zinc/76/05/02/598760502.db2.gz UOOSKQCOOQZOHG-HZPDHXFCSA-N 1 0 385.472 2.356 20 0 GEADRO Fc1cc(F)c2ncc(-c3nn[nH]n3)c(NCCCC[NH+]3CCOCC3)c2c1 ZINC000737643853 598770777 /nfs/dbraw/zinc/77/07/77/598770777.db2.gz GQRPPQDAXZFVPS-UHFFFAOYSA-N 1 0 389.410 2.217 20 0 GEADRO COCC1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000736973861 598777128 /nfs/dbraw/zinc/77/71/28/598777128.db2.gz 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C[N@@H+]1CC[C@H](CNC(=O)c2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736848955 598814491 /nfs/dbraw/zinc/81/44/91/598814491.db2.gz POQJNSBWCZUGMT-OAHLLOKOSA-N 1 0 392.463 2.127 20 0 GEADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCCC[NH+]1CCCC1 ZINC000737001973 598817835 /nfs/dbraw/zinc/81/78/35/598817835.db2.gz HUCNBRIDGSCFPZ-UHFFFAOYSA-N 1 0 386.500 2.108 20 0 GEADRO CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC000736701389 599292633 /nfs/dbraw/zinc/29/26/33/599292633.db2.gz BFVPWJDSIYJLQX-KRWDZBQOSA-N 1 0 395.467 2.040 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C[C@H]1[NH+](C)C ZINC000736293993 599297692 /nfs/dbraw/zinc/29/76/92/599297692.db2.gz VTBYCKTXSYAOHC-CXAGYDPISA-N 1 0 393.451 2.076 20 0 GEADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736409778 599301052 /nfs/dbraw/zinc/30/10/52/599301052.db2.gz NFGJONLTKWNCLU-RHSMWYFYSA-N 1 0 384.484 2.002 20 0 GEADRO CCn1ccnc1CN1CCC[N@@H+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736721867 599317743 /nfs/dbraw/zinc/31/77/43/599317743.db2.gz FUKTWUDEGLITLB-MRXNPFEDSA-N 1 0 380.500 2.352 20 0 GEADRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)ncn1 ZINC000736887244 599318247 /nfs/dbraw/zinc/31/82/47/599318247.db2.gz LURVPECSPODHID-CZUORRHYSA-N 1 0 379.472 2.018 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000820404394 599372202 /nfs/dbraw/zinc/37/22/02/599372202.db2.gz UNCLWUGYWMZTMW-GJZGRUSLSA-N 1 0 376.464 2.491 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736349380 599383813 /nfs/dbraw/zinc/38/38/13/599383813.db2.gz GCJGWZYIETXSAU-QGZVFWFLSA-N 1 0 386.500 2.406 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736349379 599384005 /nfs/dbraw/zinc/38/40/05/599384005.db2.gz GCJGWZYIETXSAU-KRWDZBQOSA-N 1 0 386.500 2.406 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1-c1nn[nH]n1 ZINC000821818020 599396763 /nfs/dbraw/zinc/39/67/63/599396763.db2.gz 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CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821020525 599447563 /nfs/dbraw/zinc/44/75/63/599447563.db2.gz CSGSWMVQJFFJAB-IRXDYDNUSA-N 1 0 380.500 2.496 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)cc1-c1nn[nH]n1 ZINC000821809850 599447984 /nfs/dbraw/zinc/44/79/84/599447984.db2.gz SVEZZBBDYVMGIU-KRWDZBQOSA-N 1 0 378.436 2.079 20 0 GEADRO Clc1cc(-c2nn[nH]n2)cnc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000737558922 599473053 /nfs/dbraw/zinc/47/30/53/599473053.db2.gz RWBYIVDJEJOLQQ-UHFFFAOYSA-N 1 0 377.880 2.362 20 0 GEADRO C[N@H+](CCCNCc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000736799843 599482719 /nfs/dbraw/zinc/48/27/19/599482719.db2.gz GSPZRTPLCBSJCH-UHFFFAOYSA-N 1 0 376.468 2.126 20 0 GEADRO c1cnn(Cc2ccccc2C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000738433200 599483538 /nfs/dbraw/zinc/48/35/38/599483538.db2.gz RLJXDLPHJMPDOC-UHFFFAOYSA-N 1 0 385.435 2.049 20 0 GEADRO C[C@H]1CC[C@@H](CCC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)O1 ZINC000820683853 599493937 /nfs/dbraw/zinc/49/39/37/599493937.db2.gz IFABIRFBYRTFEC-YJBOKZPZSA-N 1 0 386.500 2.105 20 0 GEADRO COCCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000821687527 599518829 /nfs/dbraw/zinc/51/88/29/599518829.db2.gz CWAFPZPKUGAWPL-UHFFFAOYSA-N 1 0 395.511 2.366 20 0 GEADRO CC[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC[N@@H+]1C[C@H](C)O ZINC000820995901 599531773 /nfs/dbraw/zinc/53/17/73/599531773.db2.gz ZYUVKSNGRHNVNW-WCQYABFASA-N 1 0 384.406 2.167 20 0 GEADRO Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[N@H+](C[C@@H](O)c3ccccc3)[C@@H](C)C2)n1 ZINC000822193207 599531819 /nfs/dbraw/zinc/53/18/19/599531819.db2.gz OQOONKNLIVOGAR-FUHWJXTLSA-N 1 0 393.495 2.123 20 0 GEADRO O[C@H](C[NH+]1CCC(CNc2cccc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC000823673290 599535698 /nfs/dbraw/zinc/53/56/98/599535698.db2.gz KDQMOYBUJKRTOJ-GOSISDBHSA-N 1 0 379.468 2.119 20 0 GEADRO CC[C@H]1C[N@H+](CCn2cccn2)CCN1c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820995633 599536449 /nfs/dbraw/zinc/53/64/49/599536449.db2.gz VIBZNKNAYMFIQM-AWEZNQCLSA-N 1 0 386.891 2.317 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000736181793 599574936 /nfs/dbraw/zinc/57/49/36/599574936.db2.gz APUIZCXLDXEJFP-HNNXBMFYSA-N 1 0 384.484 2.111 20 0 GEADRO CC[C@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736401342 599581336 /nfs/dbraw/zinc/58/13/36/599581336.db2.gz IOHGNAVZFQJBGH-HNNXBMFYSA-N 1 0 397.483 2.101 20 0 GEADRO c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000738418457 599587727 /nfs/dbraw/zinc/58/77/27/599587727.db2.gz IKLFNAOYHKAESL-MRXNPFEDSA-N 1 0 390.451 2.168 20 0 GEADRO C[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736291493 599591581 /nfs/dbraw/zinc/59/15/81/599591581.db2.gz AZYCTMALDOLJJZ-SNVBAGLBSA-N 1 0 378.527 2.183 20 0 GEADRO O=C(CCN1CCC[N@@H+](C2CCCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737843251 599592084 /nfs/dbraw/zinc/59/20/84/599592084.db2.gz JVGAPGOCZVHWGF-UHFFFAOYSA-N 1 0 389.529 2.207 20 0 GEADRO COc1cccc(OCCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737140992 599598998 /nfs/dbraw/zinc/59/89/98/599598998.db2.gz IKSHGALWCYFMJU-UHFFFAOYSA-N 1 0 379.424 2.082 20 0 GEADRO O=C(CC[N@@H+](CCO)[C@H]1CCc2ccccc21)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964014 599639030 /nfs/dbraw/zinc/63/90/30/599639030.db2.gz CHSUHKPFZDUEQH-IBGZPJMESA-N 1 0 392.463 2.177 20 0 GEADRO O=C(C[N@@H+]1CC[C@H](COCc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822993325 599641990 /nfs/dbraw/zinc/64/19/90/599641990.db2.gz REGAAHJVXHLPNZ-KRWDZBQOSA-N 1 0 392.463 2.344 20 0 GEADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C2(C(=O)[O-])CCCCC2)CC1 ZINC000738770362 600148327 /nfs/dbraw/zinc/14/83/27/600148327.db2.gz HSVWOGZPIPELQL-UHFFFAOYSA-N 1 0 387.524 2.406 20 0 GEADRO Cc1oc(NC(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c(-c2nn[nH]n2)c1C ZINC000822548528 607453211 /nfs/dbraw/zinc/45/32/11/607453211.db2.gz LUMQVTAEQRYGNO-HNNXBMFYSA-N 1 0 388.472 2.439 20 0 GEADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000822741589 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CC[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@H](C)c1cccc(O)c1 ZINC000821169934 606071357 /nfs/dbraw/zinc/07/13/57/606071357.db2.gz JCVIBPXIYIWWMR-RDTXWAMCSA-N 1 0 383.452 2.395 20 0 GEADRO CCOCC[N@@H+]1CCN(c2nc3ccccc3cc2-c2nn[nH]n2)C[C@@H]1CC ZINC000821378827 606073189 /nfs/dbraw/zinc/07/31/89/606073189.db2.gz UXNYBPSTCLFEFN-INIZCTEOSA-N 1 0 381.484 2.352 20 0 GEADRO C[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000821593965 606073941 /nfs/dbraw/zinc/07/39/41/606073941.db2.gz RSZNXLFNNWBWQD-LJQANCHMSA-N 1 0 391.479 2.406 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821614680 606088483 /nfs/dbraw/zinc/08/84/83/606088483.db2.gz QKYXKONRWFQLHA-GOSISDBHSA-N 1 0 378.480 2.452 20 0 GEADRO CC[N@H+](CCCO)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1 ZINC000821214020 606092085 /nfs/dbraw/zinc/09/20/85/606092085.db2.gz GRBOZHYNLUWCOH-UHFFFAOYSA-N 1 0 389.504 2.043 20 0 GEADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000822204601 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DSTTUXZNEPZOJB-NWDGAFQWSA-N 1 0 378.864 2.206 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820077014 606196020 /nfs/dbraw/zinc/19/60/20/606196020.db2.gz XYMMBZCQNFOXJW-UHFFFAOYSA-N 1 0 385.516 2.424 20 0 GEADRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000820728428 606203451 /nfs/dbraw/zinc/20/34/51/606203451.db2.gz VRXJSFCLQMKGLT-QFSBIZTOSA-N 1 0 382.447 2.157 20 0 GEADRO O=C(CN1CCC([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1)Nc1ccccc1 ZINC000822992167 606210512 /nfs/dbraw/zinc/21/05/12/606210512.db2.gz JXADNEXDAIFXEQ-UHFFFAOYSA-N 1 0 397.508 2.121 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820426604 606220864 /nfs/dbraw/zinc/22/08/64/606220864.db2.gz LZIKGNVYHWSMHK-RDTXWAMCSA-N 1 0 384.509 2.307 20 0 GEADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)cs3)C2)c1 ZINC000821724304 606238448 /nfs/dbraw/zinc/23/84/48/606238448.db2.gz SDKGXTREGSEXNK-CYBMUJFWSA-N 1 0 386.481 2.314 20 0 GEADRO C[NH+](C)[C@]1(CNc2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CCSC1 ZINC000821581271 606241141 /nfs/dbraw/zinc/24/11/41/606241141.db2.gz HMMQRGIFPCGRJG-KRWDZBQOSA-N 1 0 389.916 2.339 20 0 GEADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@]1([NH+](C)C)CCSC1 ZINC000822204747 606242036 /nfs/dbraw/zinc/24/20/36/606242036.db2.gz ZKQOZYFIYUKAAD-GOSISDBHSA-N 1 0 387.488 2.134 20 0 GEADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822275333 606310051 /nfs/dbraw/zinc/31/00/51/606310051.db2.gz QOHICBDZZZEOGS-GOSISDBHSA-N 1 0 383.477 2.226 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000821 606334583 /nfs/dbraw/zinc/33/45/83/606334583.db2.gz JZRCDLDUCQCHQO-QZTJIDSGSA-N 1 0 383.500 2.144 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821680095 606347976 /nfs/dbraw/zinc/34/79/76/606347976.db2.gz ZDFMGLGKRMPRDH-UHFFFAOYSA-N 1 0 391.451 2.017 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000820529741 606365740 /nfs/dbraw/zinc/36/57/40/606365740.db2.gz RIWKJMGHOUNUHW-CQSZACIVSA-N 1 0 398.442 2.021 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000820541212 606365971 /nfs/dbraw/zinc/36/59/71/606365971.db2.gz CJNIZYQFFLPUBT-CQSZACIVSA-N 1 0 398.442 2.021 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000822540493 606366918 /nfs/dbraw/zinc/36/69/18/606366918.db2.gz BXSQVQOVGGVBIS-UHFFFAOYSA-N 1 0 392.423 2.268 20 0 GEADRO C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820364899 606383137 /nfs/dbraw/zinc/38/31/37/606383137.db2.gz GAGISGFHNRHAMC-CQSZACIVSA-N 1 0 397.458 2.498 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC000821254222 606384190 /nfs/dbraw/zinc/38/41/90/606384190.db2.gz KGIQAIXSDXMMTI-WFASDCNBSA-N 1 0 375.452 2.020 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000820431524 606408739 /nfs/dbraw/zinc/40/87/39/606408739.db2.gz GLXGCUUIPZUIEB-LBPRGKRZSA-N 1 0 398.492 2.436 20 0 GEADRO O=C([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N1CCCC1 ZINC000822912240 606415037 /nfs/dbraw/zinc/41/50/37/606415037.db2.gz SEUCXBLGEWSZTE-INIZCTEOSA-N 1 0 382.493 2.252 20 0 GEADRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000822399981 606415210 /nfs/dbraw/zinc/41/52/10/606415210.db2.gz RNSZQZPIXLCXLZ-UHFFFAOYSA-N 1 0 395.442 2.242 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820431225 606421628 /nfs/dbraw/zinc/42/16/28/606421628.db2.gz BYXBKQNONPQQHA-PBHICJAKSA-N 1 0 384.509 2.307 20 0 GEADRO CCOC(=O)COc1ccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821330853 606423674 /nfs/dbraw/zinc/42/36/74/606423674.db2.gz VKPCXMLXWXHVJK-UHFFFAOYSA-N 1 0 387.465 2.202 20 0 GEADRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000819933107 606428614 /nfs/dbraw/zinc/42/86/14/606428614.db2.gz FZTFUKIYKXEGOI-UHFFFAOYSA-N 1 0 376.436 2.495 20 0 GEADRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000820650972 606434140 /nfs/dbraw/zinc/43/41/40/606434140.db2.gz ZQFCVTNHFAKAJH-GTNSWQLSSA-N 1 0 378.502 2.034 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000822195204 606440411 /nfs/dbraw/zinc/44/04/11/606440411.db2.gz KADBYAIUBAUZBQ-MRXNPFEDSA-N 1 0 393.495 2.333 20 0 GEADRO O[C@H](CNc1ccc(Cl)cc1-c1nn[nH]n1)C[N@@H+]1CCc2ccccc2C1 ZINC000823689181 606450588 /nfs/dbraw/zinc/45/05/88/606450588.db2.gz CKUFARJNYUTMSK-MRXNPFEDSA-N 1 0 384.871 2.351 20 0 GEADRO O[C@H](CNc1ccc(-c2nn[nH]n2)c(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000823689489 606451345 /nfs/dbraw/zinc/45/13/45/606451345.db2.gz GINYVGAGBAOPGO-MRXNPFEDSA-N 1 0 384.871 2.351 20 0 GEADRO CCCNC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821113655 606481648 /nfs/dbraw/zinc/48/16/48/606481648.db2.gz BKRHLXPIODVQDP-UHFFFAOYSA-N 1 0 394.426 2.206 20 0 GEADRO CC[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC[N@@H+]1CCOC ZINC000820994332 606488885 /nfs/dbraw/zinc/48/88/85/606488885.db2.gz GUCFALPXRJYFAU-OAHLLOKOSA-N 1 0 396.442 2.011 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000823093005 606492217 /nfs/dbraw/zinc/49/22/17/606492217.db2.gz RGNNFXSALOSLNM-KRWDZBQOSA-N 1 0 380.452 2.346 20 0 GEADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000822733187 606501628 /nfs/dbraw/zinc/50/16/28/606501628.db2.gz RYVISXSOKNFDLL-ZDUSSCGKSA-N 1 0 378.427 2.386 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000823093031 606520285 /nfs/dbraw/zinc/52/02/85/606520285.db2.gz SJWZJTSJHMRTGP-IBGZPJMESA-N 1 0 376.464 2.363 20 0 GEADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823253793 606542530 /nfs/dbraw/zinc/54/25/30/606542530.db2.gz MAKJQAKCUBRZDT-UHFFFAOYSA-N 1 0 398.492 2.333 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823170452 606561421 /nfs/dbraw/zinc/56/14/21/606561421.db2.gz BGDVZKNNCWMQNR-UHFFFAOYSA-N 1 0 392.554 2.410 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000820031347 606585003 /nfs/dbraw/zinc/58/50/03/606585003.db2.gz CWLPBDUFCKEPRP-VKJFTORMSA-N 1 0 386.500 2.259 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821581402 606585037 /nfs/dbraw/zinc/58/50/37/606585037.db2.gz KGLBGKWULZTRBV-IRXDYDNUSA-N 1 0 386.500 2.405 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000820031345 606585081 /nfs/dbraw/zinc/58/50/81/606585081.db2.gz CWLPBDUFCKEPRP-MPGHIAIKSA-N 1 0 386.500 2.259 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000821581414 606603818 /nfs/dbraw/zinc/60/38/18/606603818.db2.gz KPIIYHCRZCDWSY-WMZOPIPTSA-N 1 0 383.500 2.414 20 0 GEADRO C[N@@H+]1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C2(CCCCC2)C1 ZINC000821627241 606616567 /nfs/dbraw/zinc/61/65/67/606616567.db2.gz SSUMUXWZCOJWGS-UHFFFAOYSA-N 1 0 389.529 2.207 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1CCCc1ccccc1 ZINC000823510795 606629113 /nfs/dbraw/zinc/62/91/13/606629113.db2.gz AAYJREHQLJQASX-INIZCTEOSA-N 1 0 382.493 2.252 20 0 GEADRO Fc1ccc(OCC[NH+]2CCC(Nc3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000822782936 606644178 /nfs/dbraw/zinc/64/41/78/606644178.db2.gz MOKKOLDFRVHOAJ-UHFFFAOYSA-N 1 0 383.431 2.356 20 0 GEADRO O=C(C[NH2+]C1(CCO)CCCCC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823005549 606660979 /nfs/dbraw/zinc/66/09/79/606660979.db2.gz WDOWSSODXFKTOT-UHFFFAOYSA-N 1 0 378.864 2.134 20 0 GEADRO C[N@H+](CCCNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)Cc1ccccc1 ZINC000821599456 606662554 /nfs/dbraw/zinc/66/25/54/606662554.db2.gz VMLJQVFBWOGBHA-UHFFFAOYSA-N 1 0 386.406 2.397 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820648657 606670070 /nfs/dbraw/zinc/67/00/70/606670070.db2.gz DXOLDHMEGIDFGA-RYUDHWBXSA-N 1 0 378.427 2.243 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820648478 606672468 /nfs/dbraw/zinc/67/24/68/606672468.db2.gz AJRNEMCEFSPZBY-IJLUTSLNSA-N 1 0 378.427 2.241 20 0 GEADRO FC(F)(F)CN1CC[C@H]([NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000822719024 606722046 /nfs/dbraw/zinc/72/20/46/606722046.db2.gz XXQISVYWTXXTCW-HNNXBMFYSA-N 1 0 395.433 2.062 20 0 GEADRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000820875429 606771949 /nfs/dbraw/zinc/77/19/49/606771949.db2.gz AGIMPJMSSCMYAN-CABCVRRESA-N 1 0 396.499 2.380 20 0 GEADRO Cc1cc(C)c(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c(C)c1 ZINC000822194074 606784161 /nfs/dbraw/zinc/78/41/61/606784161.db2.gz HNLBHFJJKKHZLD-INIZCTEOSA-N 1 0 378.484 2.293 20 0 GEADRO CN(CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821603871 606796914 /nfs/dbraw/zinc/79/69/14/606796914.db2.gz SBEVXONOBWXYFK-LJQANCHMSA-N 1 0 378.480 2.452 20 0 GEADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000820753388 606834787 /nfs/dbraw/zinc/83/47/87/606834787.db2.gz YPGNSEDUVIAJQZ-ZWNOBZJWSA-N 1 0 395.414 2.318 20 0 GEADRO C[NH+](C)C1(C(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)nc2)CCC1 ZINC000821581833 606835422 /nfs/dbraw/zinc/83/54/22/606835422.db2.gz VUKBPDCFIRYLBE-UHFFFAOYSA-N 1 0 379.424 2.477 20 0 GEADRO O[C@@H](C[NH+]1CCN(C/C=C\c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681928 606844846 /nfs/dbraw/zinc/84/48/46/606844846.db2.gz LLOROSYWCPHVDP-PAKAJVGYSA-N 1 0 390.491 2.231 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000819984401 606851916 /nfs/dbraw/zinc/85/19/16/606851916.db2.gz VCLOBQWAVXSWMT-FQEVSTJZSA-N 1 0 392.507 2.327 20 0 GEADRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000820877002 606854049 /nfs/dbraw/zinc/85/40/49/606854049.db2.gz XYILMIKPSKTDKF-AUUYWEPGSA-N 1 0 394.479 2.218 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc(OC)c1OC ZINC000821708382 606854738 /nfs/dbraw/zinc/85/47/38/606854738.db2.gz OMCDBENGOHDXOU-LRDDRELGSA-N 1 0 399.451 2.277 20 0 GEADRO O[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683012 606855408 /nfs/dbraw/zinc/85/54/08/606855408.db2.gz XKRMCEWFGLZRPK-OAQYLSRUSA-N 1 0 392.507 2.197 20 0 GEADRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820570547 606857521 /nfs/dbraw/zinc/85/75/21/606857521.db2.gz LZHZMKZDAIGDIT-CDHQVMDDSA-N 1 0 378.480 2.325 20 0 GEADRO CCC[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000821040380 606861205 /nfs/dbraw/zinc/86/12/05/606861205.db2.gz KZOZZSWDLNLJSG-OAHLLOKOSA-N 1 0 397.483 2.101 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)CCC1CCOCC1 ZINC000822505777 606862185 /nfs/dbraw/zinc/86/21/85/606862185.db2.gz VWGQQDJLWSADBL-UHFFFAOYSA-N 1 0 382.472 2.140 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CC1(Cc3ccccc3)CCC1)C2 ZINC000823779388 606868558 /nfs/dbraw/zinc/86/85/58/606868558.db2.gz BSQKJEVAIQJGGJ-MRXNPFEDSA-N 1 0 378.484 2.108 20 0 GEADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000821104694 606875350 /nfs/dbraw/zinc/87/53/50/606875350.db2.gz NPNZKACHYKRQTE-KBXCAEBGSA-N 1 0 383.500 2.271 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000820751723 606876526 /nfs/dbraw/zinc/87/65/26/606876526.db2.gz HTVPBQFRWPWQKQ-KSSFIOAISA-N 1 0 383.500 2.269 20 0 GEADRO c1ccc2c(c1)nc(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)cc2-c1nn[nH]n1 ZINC000823792581 606877725 /nfs/dbraw/zinc/87/77/25/606877725.db2.gz YIWFTHYMWULNDS-QZTJIDSGSA-N 1 0 379.468 2.470 20 0 GEADRO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1COc2ccccc2O1 ZINC000821600492 606883737 /nfs/dbraw/zinc/88/37/37/606883737.db2.gz ORRJFMUZIPTHPG-QGZVFWFLSA-N 1 0 381.436 2.407 20 0 GEADRO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822431606 606895746 /nfs/dbraw/zinc/89/57/46/606895746.db2.gz BSDIXBDSENPHSN-KRWDZBQOSA-N 1 0 396.499 2.256 20 0 GEADRO CCN(C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1)CC(F)(F)F ZINC000821197889 606907225 /nfs/dbraw/zinc/90/72/25/606907225.db2.gz NNYVPACMWPOBQW-BBRMVZONSA-N 1 0 398.433 2.106 20 0 GEADRO CN(C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821595041 606907839 /nfs/dbraw/zinc/90/78/39/606907839.db2.gz KZICUOYAYQKTOU-LEWJYISDSA-N 1 0 392.507 2.497 20 0 GEADRO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820020400 606908909 /nfs/dbraw/zinc/90/89/09/606908909.db2.gz FTPPGUZIQFRTNL-VQTJNVASSA-N 1 0 381.480 2.419 20 0 GEADRO CCc1nnc(N2CC[C@H](CNc3cc(C)cc[nH+]3)C2)c(-c2nn[nH]n2)c1CC ZINC000821520877 606927224 /nfs/dbraw/zinc/92/72/24/606927224.db2.gz BJWNGMKJCJCIDL-CQSZACIVSA-N 1 0 393.499 2.423 20 0 GEADRO OCC[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCc2ccccc21 ZINC000823722635 606927507 /nfs/dbraw/zinc/92/75/07/606927507.db2.gz VEDCOJOVYUYBHH-VQTJNVASSA-N 1 0 379.464 2.272 20 0 GEADRO CCc1nnc(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(-c2nn[nH]n2)c1CC ZINC000821523283 606927644 /nfs/dbraw/zinc/92/76/44/606927644.db2.gz UBEJMVCTRRKGLA-AWEZNQCLSA-N 1 0 393.499 2.423 20 0 GEADRO FC(F)(F)c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723482 606942001 /nfs/dbraw/zinc/94/20/01/606942001.db2.gz GJAFWBBCJYBLNS-GFCCVEGCSA-N 1 0 382.390 2.044 20 0 GEADRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C[C@@H]1[NH+]1CCOCC1 ZINC000820766183 606943019 /nfs/dbraw/zinc/94/30/19/606943019.db2.gz AISLJWZYUPNXPY-NHYWBVRUSA-N 1 0 382.390 2.042 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821579553 606980178 /nfs/dbraw/zinc/98/01/78/606980178.db2.gz GEEFYERGYQBAHW-GOSISDBHSA-N 1 0 394.479 2.443 20 0 GEADRO C[NH+](C)Cc1ccccc1CNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821588122 606984193 /nfs/dbraw/zinc/98/41/93/606984193.db2.gz BVYFIYUOHVLSTR-UHFFFAOYSA-N 1 0 394.479 2.402 20 0 GEADRO O=C(CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964147 606985486 /nfs/dbraw/zinc/98/54/86/606985486.db2.gz FAMJFUPRPFJWMC-IAGOWNOFSA-N 1 0 396.451 2.376 20 0 GEADRO Clc1cccc(N2CCN(CC[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000822585824 607008782 /nfs/dbraw/zinc/00/87/82/607008782.db2.gz NWZMYOVCTTXJMW-UHFFFAOYSA-N 1 0 397.914 2.432 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821623194 607023132 /nfs/dbraw/zinc/02/31/32/607023132.db2.gz FUQSXLULQCZKET-IRXDYDNUSA-N 1 0 384.484 2.109 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000822505219 607025885 /nfs/dbraw/zinc/02/58/85/607025885.db2.gz CVFDUZVNYJYXLS-QGZVFWFLSA-N 1 0 382.472 2.138 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000820529169 607042137 /nfs/dbraw/zinc/04/21/37/607042137.db2.gz PLISCUPAAYOJJU-OAHLLOKOSA-N 1 0 384.484 2.111 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596452 607053214 /nfs/dbraw/zinc/05/32/14/607053214.db2.gz KNMGGBQMTOSICB-MRXNPFEDSA-N 1 0 398.511 2.214 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000821378976 607057969 /nfs/dbraw/zinc/05/79/69/607057969.db2.gz YWRKQPAGFLVRLR-KSSFIOAISA-N 1 0 376.480 2.232 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820428742 607058961 /nfs/dbraw/zinc/05/89/61/607058961.db2.gz ZJJRLWQZWQIGER-FOIQADDNSA-N 1 0 396.470 2.385 20 0 GEADRO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821690660 607066220 /nfs/dbraw/zinc/06/62/20/607066220.db2.gz UJOFDDANBUFCAU-UHFFFAOYSA-N 1 0 385.399 2.383 20 0 GEADRO O[C@H](C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1)C(F)(F)F ZINC000823674466 607075758 /nfs/dbraw/zinc/07/57/58/607075758.db2.gz QQJPDGIGTBVVQW-OAHLLOKOSA-N 1 0 385.390 2.271 20 0 GEADRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000822496339 607092016 /nfs/dbraw/zinc/09/20/16/607092016.db2.gz JSURANBUADXLNE-AWEZNQCLSA-N 1 0 386.485 2.136 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)N2CCc3c(sc(N)c3-c3nn[nH]n3)C2)c1 ZINC000821588136 607101366 /nfs/dbraw/zinc/10/13/66/607101366.db2.gz CSYFXHMWLWFNDZ-UHFFFAOYSA-N 1 0 398.496 2.162 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000819877532 607106123 /nfs/dbraw/zinc/10/61/23/607106123.db2.gz XXNPEDIKZQYVBG-HNNXBMFYSA-N 1 0 383.500 2.144 20 0 GEADRO C[C@@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CCO1 ZINC000820635274 607121859 /nfs/dbraw/zinc/12/18/59/607121859.db2.gz LUJVHRSGSFJDGV-NRFANRHFSA-N 1 0 392.463 2.443 20 0 GEADRO O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000823706900 607129385 /nfs/dbraw/zinc/12/93/85/607129385.db2.gz RLVKDAQRADRAEP-CABCVRRESA-N 1 0 377.880 2.095 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000821190170 607132176 /nfs/dbraw/zinc/13/21/76/607132176.db2.gz ZUTIAEWRPJNYHE-UHFFFAOYSA-N 1 0 385.497 2.307 20 0 GEADRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000822167697 607132268 /nfs/dbraw/zinc/13/22/68/607132268.db2.gz GFHBKTLBNLBKOR-UHFFFAOYSA-N 1 0 380.452 2.425 20 0 GEADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823350667 607165865 /nfs/dbraw/zinc/16/58/65/607165865.db2.gz WGNOMXLWOBLYKQ-UHFFFAOYSA-N 1 0 381.440 2.312 20 0 GEADRO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(F)c1-c1nn[nH]n1 ZINC000823713331 607175130 /nfs/dbraw/zinc/17/51/30/607175130.db2.gz GPBUNNBEYPRNAX-QAPCUYQASA-N 1 0 382.443 2.301 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CCSC1 ZINC000821581105 607197309 /nfs/dbraw/zinc/19/73/09/607197309.db2.gz CLPBQFARKPAPKH-HNNXBMFYSA-N 1 0 381.893 2.079 20 0 GEADRO COc1ccc(C[N@@H+]2CCCN(c3nc(C)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000821795181 607226372 /nfs/dbraw/zinc/22/63/72/607226372.db2.gz VSGOCQHAEDEDFL-UHFFFAOYSA-N 1 0 379.468 2.291 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1ccc(F)cc1 ZINC000821579804 607233831 /nfs/dbraw/zinc/23/38/31/607233831.db2.gz OFVNZCSECSQBSA-AWEZNQCLSA-N 1 0 389.822 2.087 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cccc(Cl)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485586 607814216 /nfs/dbraw/zinc/81/42/16/607814216.db2.gz WJBIQALYVPTOKI-UHFFFAOYSA-N 1 0 377.857 2.084 20 0 GEADRO Cc1ccccc1C[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826306770 607815585 /nfs/dbraw/zinc/81/55/85/607815585.db2.gz LASPAVQYMRZEOU-HNNXBMFYSA-N 1 0 385.493 2.170 20 0 GEADRO CC[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CCc1nccs1 ZINC000825419073 607830314 /nfs/dbraw/zinc/83/03/14/607830314.db2.gz FYZAGUROCZTXCP-UHFFFAOYSA-N 1 0 377.499 2.278 20 0 GEADRO C[C@@H]1COCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000825006421 607832600 /nfs/dbraw/zinc/83/26/00/607832600.db2.gz ISHBSOCPTRLUQU-LBPRGKRZSA-N 1 0 390.513 2.104 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826159692 607834296 /nfs/dbraw/zinc/83/42/96/607834296.db2.gz OQWFYNCVBRTKIO-NSHDSACASA-N 1 0 399.282 2.014 20 0 GEADRO CC[N@@H+]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@@H]1C ZINC000825459822 607835034 /nfs/dbraw/zinc/83/50/34/607835034.db2.gz OCECYFZYNAFTPA-JTQLQIEISA-N 1 0 381.387 2.026 20 0 GEADRO CCOCC[N@@H+]1CCN(c2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825599590 607841096 /nfs/dbraw/zinc/84/10/96/607841096.db2.gz NWMRVJYVWJXUJM-LBPRGKRZSA-N 1 0 384.406 2.433 20 0 GEADRO CC[C@H]1CN(c2cc(-c3nn[nH]n3)ccc2C(F)(F)F)CC[N@@H+]1CCOC ZINC000825213490 607841206 /nfs/dbraw/zinc/84/12/06/607841206.db2.gz ZCDGSQXXHBRDQO-ZDUSSCGKSA-N 1 0 384.406 2.433 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[C@@H]1COc2ccccc21 ZINC000824554255 607843571 /nfs/dbraw/zinc/84/35/71/607843571.db2.gz OCRXSQVJUHMZSA-KKXDTOCCSA-N 1 0 390.447 2.126 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)[C@H]1COc2ccccc21 ZINC000824554084 607843654 /nfs/dbraw/zinc/84/36/54/607843654.db2.gz MNNAISITDJICRV-NILFDRSVSA-N 1 0 396.476 2.188 20 0 GEADRO O=C(C[N@@H+]1CC[C@H](C2CCOCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826410602 607859361 /nfs/dbraw/zinc/85/93/61/607859361.db2.gz RWGZQTXUIRHFMV-ZDUSSCGKSA-N 1 0 390.875 2.207 20 0 GEADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825980744 607868455 /nfs/dbraw/zinc/86/84/55/607868455.db2.gz INFKZQBWHUXJAA-LJQANCHMSA-N 1 0 389.463 2.223 20 0 GEADRO Cc1cc(-c2nn[nH]n2)cc(C)c1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000826243110 607874071 /nfs/dbraw/zinc/87/40/71/607874071.db2.gz UTNVRFJEGKPEGP-IBGZPJMESA-N 1 0 379.464 2.282 20 0 GEADRO C[C@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc([S@@](C)=O)cc1 ZINC000824627526 607910448 /nfs/dbraw/zinc/91/04/48/607910448.db2.gz YFJDVXVGXLBHMB-BIXPNRAVSA-N 1 0 381.465 2.103 20 0 GEADRO CC[C@@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212948 607942222 /nfs/dbraw/zinc/94/22/22/607942222.db2.gz VDBFOSAXARNDKB-CABCVRRESA-N 1 0 387.488 2.387 20 0 GEADRO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)Nc1ccccc1-c1nn[nH]n1 ZINC000826406966 607943046 /nfs/dbraw/zinc/94/30/46/607943046.db2.gz VSPNMPPPHTWNBN-MAUKXSAKSA-N 1 0 396.426 2.142 20 0 GEADRO O=C(CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1)Nc1ccccc1-c1nn[nH]n1 ZINC000826406968 607943112 /nfs/dbraw/zinc/94/31/12/607943112.db2.gz VSPNMPPPHTWNBN-YJBOKZPZSA-N 1 0 396.426 2.142 20 0 GEADRO Cn1cc(-c2ccccc2C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cn1 ZINC000826356351 607977622 /nfs/dbraw/zinc/97/76/22/607977622.db2.gz MKFIWJOHXSWDMZ-UHFFFAOYSA-N 1 0 385.435 2.205 20 0 GEADRO CCC[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000825251467 607992379 /nfs/dbraw/zinc/99/23/79/607992379.db2.gz BNHJDMWQMIVPMH-ZDUSSCGKSA-N 1 0 378.864 2.350 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000826202884 608015412 /nfs/dbraw/zinc/01/54/12/608015412.db2.gz RCSULIIMKASDRM-SFHVURJKSA-N 1 0 392.463 2.156 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1-c1nn[nH]n1 ZINC000826077580 608021338 /nfs/dbraw/zinc/02/13/38/608021338.db2.gz NCSVQKNZGCCLSG-MELADBBJSA-N 1 0 386.504 2.287 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1-c1nn[nH]n1 ZINC000826083742 608022308 /nfs/dbraw/zinc/02/23/08/608022308.db2.gz PKLCMTVLKXOLTO-UHFFFAOYSA-N 1 0 399.846 2.129 20 0 GEADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccc[nH]1 ZINC000824487360 608032753 /nfs/dbraw/zinc/03/27/53/608032753.db2.gz ARSAHZBCQZHMEN-CQSZACIVSA-N 1 0 382.472 2.029 20 0 GEADRO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824764687 608035209 /nfs/dbraw/zinc/03/52/09/608035209.db2.gz XKGVDEBIWNRTAM-JTQLQIEISA-N 1 0 392.414 2.399 20 0 GEADRO COCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826159761 608048725 /nfs/dbraw/zinc/04/87/25/608048725.db2.gz QPPXDHYLWLTMEF-UHFFFAOYSA-N 1 0 381.278 2.152 20 0 GEADRO CC(C)[NH+](CCSCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000824293448 608077721 /nfs/dbraw/zinc/07/77/21/608077721.db2.gz LXXDWIPYQPATTJ-UHFFFAOYSA-N 1 0 397.570 2.492 20 0 GEADRO C[C@@H](C(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)[NH+]1CCCCCC1 ZINC000824039988 608084516 /nfs/dbraw/zinc/08/45/16/608084516.db2.gz KHLPHZQWKJQSKV-YJBOKZPZSA-N 1 0 384.484 2.031 20 0 GEADRO c1ccc(C[N@@H+]2CCC3(C2)CCN(c2nccnc2-c2nn[nH]n2)CC3)cc1 ZINC000826521291 608099126 /nfs/dbraw/zinc/09/91/26/608099126.db2.gz HBRUBPNTONOSEB-UHFFFAOYSA-N 1 0 376.468 2.149 20 0 GEADRO CCCCCC[N@H+](C)CC(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000825270783 608191374 /nfs/dbraw/zinc/19/13/74/608191374.db2.gz CVWHMHAEDZVHLP-UHFFFAOYSA-N 1 0 396.499 2.385 20 0 GEADRO c1cc2nc(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)ccc2cc1-c1nn[nH]n1 ZINC000826518413 608234044 /nfs/dbraw/zinc/23/40/44/608234044.db2.gz MWLACLJYUZNDNP-MSOLQXFVSA-N 1 0 379.468 2.470 20 0 GEADRO CCC[C@H]1CN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)CC[N@@H+]1CCOC ZINC000825259569 608236519 /nfs/dbraw/zinc/23/65/19/608236519.db2.gz JICUQMPOGVCTQX-KRWDZBQOSA-N 1 0 381.484 2.352 20 0 GEADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000826417067 608249403 /nfs/dbraw/zinc/24/94/03/608249403.db2.gz CICUVQAANCNTQV-HNNXBMFYSA-N 1 0 383.408 2.046 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000826169068 608258824 /nfs/dbraw/zinc/25/88/24/608258824.db2.gz HGJSRSDCLIHOGA-INIZCTEOSA-N 1 0 382.472 2.427 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)c(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000826276370 608272916 /nfs/dbraw/zinc/27/29/16/608272916.db2.gz CTNKNPIYULTCOD-LJQANCHMSA-N 1 0 392.511 2.361 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1cccc(NS(C)(=O)=O)c1 ZINC000824613882 608284353 /nfs/dbraw/zinc/28/43/53/608284353.db2.gz XMAFUFQDEUTJHQ-LLVKDONJSA-N 1 0 390.444 2.228 20 0 GEADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826220325 608287510 /nfs/dbraw/zinc/28/75/10/608287510.db2.gz JXCFMUAKDIFMOP-ZDUSSCGKSA-N 1 0 396.451 2.391 20 0 GEADRO CCc1nnc(NC[C@@](C)([NH3+])Cc2ccc(OC)cc2)c(-c2nn[nH]n2)c1CC ZINC000825768110 608299527 /nfs/dbraw/zinc/29/95/27/608299527.db2.gz ZKBJLSPJLMQRRZ-FQEVSTJZSA-N 1 0 396.499 2.162 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000826157711 608303974 /nfs/dbraw/zinc/30/39/74/608303974.db2.gz ICYSACGOQHHKGU-UHFFFAOYSA-N 1 0 393.923 2.490 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CC[NH+](C3CCCC3)CC2)c1-c1nn[nH]n1 ZINC000826331965 608309156 /nfs/dbraw/zinc/30/91/56/608309156.db2.gz FRHOAJLKXJBFJN-UHFFFAOYSA-N 1 0 392.511 2.421 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1-c1nn[nH]n1 ZINC000826332076 608309255 /nfs/dbraw/zinc/30/92/55/608309255.db2.gz JCWFSDRPWISKSF-HNNXBMFYSA-N 1 0 379.468 2.362 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1-c1nn[nH]n1 ZINC000826331853 608316285 /nfs/dbraw/zinc/31/62/85/608316285.db2.gz AIWUCDQZOZEBJH-JKSUJKDBSA-N 1 0 379.468 2.219 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407395 608326611 /nfs/dbraw/zinc/32/66/11/608326611.db2.gz LTZZJGKJKWDMAB-HZPDHXFCSA-N 1 0 384.484 2.334 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000826168093 608352829 /nfs/dbraw/zinc/35/28/29/608352829.db2.gz BPCRXJWWSRLSNN-UHFFFAOYSA-N 1 0 384.484 2.100 20 0 GEADRO CS[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)C[C@@H]1[NH+](C)C ZINC000826227778 608382594 /nfs/dbraw/zinc/38/25/94/608382594.db2.gz XPIZKJRFXJDISV-GJZGRUSLSA-N 1 0 387.488 2.344 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825221097 608407600 /nfs/dbraw/zinc/40/76/00/608407600.db2.gz XZTHHUFINZTRGB-AEFFLSMTSA-N 1 0 392.511 2.419 20 0 GEADRO CC[N@H+]1C[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)[C@@H](C)C1 ZINC000825443581 608421561 /nfs/dbraw/zinc/42/15/61/608421561.db2.gz DTXRWAPZFGHACQ-KSSFIOAISA-N 1 0 381.484 2.006 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000824613895 608428829 /nfs/dbraw/zinc/42/88/29/608428829.db2.gz XTYUKQXQFAUACJ-NSHDSACASA-N 1 0 375.429 2.260 20 0 GEADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826189776 608429629 /nfs/dbraw/zinc/42/96/29/608429629.db2.gz DWDFYBYHQFVEPD-CQSZACIVSA-N 1 0 380.452 2.151 20 0 GEADRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825631478 608430872 /nfs/dbraw/zinc/43/08/72/608430872.db2.gz BHHNMZWDXJTLKP-CQSZACIVSA-N 1 0 380.452 2.232 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[nH]n2)nn1 ZINC000825866362 608431576 /nfs/dbraw/zinc/43/15/76/608431576.db2.gz XRWHFWHRKFXRQW-UHFFFAOYSA-N 1 0 392.389 2.244 20 0 GEADRO Cc1sc(NC(=O)C[NH2+][C@H](CCO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000826349558 608433916 /nfs/dbraw/zinc/43/39/16/608433916.db2.gz MHHMGRTZLKCWSD-CQSZACIVSA-N 1 0 386.481 2.197 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000826175561 608453039 /nfs/dbraw/zinc/45/30/39/608453039.db2.gz JECYLZJJECHZBM-GOEBONIOSA-N 1 0 383.456 2.034 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000826175563 608453368 /nfs/dbraw/zinc/45/33/68/608453368.db2.gz JECYLZJJECHZBM-ZBFHGGJFSA-N 1 0 383.456 2.034 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)CC1CCOCC1 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/nfs/dbraw/zinc/48/08/92/608480892.db2.gz MVIZJRLHXXUGQU-GFCCVEGCSA-N 1 0 382.424 2.173 20 0 GEADRO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826290989 608490091 /nfs/dbraw/zinc/49/00/91/608490091.db2.gz KDNJYYKMJLDUAY-AWEZNQCLSA-N 1 0 393.451 2.482 20 0 GEADRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825560881 608494062 /nfs/dbraw/zinc/49/40/62/608494062.db2.gz WUZWKHQGNAZGNA-ZDUSSCGKSA-N 1 0 394.435 2.333 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)COc1ccc(F)cc1 ZINC000826502672 608504761 /nfs/dbraw/zinc/50/47/61/608504761.db2.gz IPJBFYYUJGVVJE-APWZRJJASA-N 1 0 383.427 2.413 20 0 GEADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000826222336 608505815 /nfs/dbraw/zinc/50/58/15/608505815.db2.gz SVAKLJMHEOPGGX-CVEARBPZSA-N 1 0 395.554 2.045 20 0 GEADRO CN(C)c1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000825879906 608508607 /nfs/dbraw/zinc/50/86/07/608508607.db2.gz 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COC(=O)[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000826133557 608545851 /nfs/dbraw/zinc/54/58/51/608545851.db2.gz NHQPFMAKTKEZKO-SFHVURJKSA-N 1 0 393.447 2.441 20 0 GEADRO Cc1oc(NC(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c(-c2nn[nH]n2)c1C ZINC000826341904 608554078 /nfs/dbraw/zinc/55/40/78/608554078.db2.gz SQIYQLIWFJFGHF-HNNXBMFYSA-N 1 0 386.460 2.126 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826203101 608581312 /nfs/dbraw/zinc/58/13/12/608581312.db2.gz YXTNXNWZBJPUEC-CABCVRRESA-N 1 0 388.472 2.411 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826203102 608581405 /nfs/dbraw/zinc/58/14/05/608581405.db2.gz YXTNXNWZBJPUEC-GJZGRUSLSA-N 1 0 388.472 2.411 20 0 GEADRO CN(CC[N@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000825938099 608583236 /nfs/dbraw/zinc/58/32/36/608583236.db2.gz OPJYALSDWBKKDE-UHFFFAOYSA-N 1 0 385.472 2.418 20 0 GEADRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826060956 608608836 /nfs/dbraw/zinc/60/88/36/608608836.db2.gz XHNMPECMMBCPST-LJQANCHMSA-N 1 0 392.463 2.156 20 0 GEADRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826060679 608608911 /nfs/dbraw/zinc/60/89/11/608608911.db2.gz QPJGAYHDWQFTIW-IBGZPJMESA-N 1 0 392.463 2.156 20 0 GEADRO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)c(-c2nn[nH]n2)c1C ZINC000826349813 608642742 /nfs/dbraw/zinc/64/27/42/608642742.db2.gz VRGHWMFWSBQHAI-KRWDZBQOSA-N 1 0 378.502 2.111 20 0 GEADRO OCCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1CCc2ccccc21 ZINC000826509879 608703882 /nfs/dbraw/zinc/70/38/82/608703882.db2.gz OKIMVCKLYWACMN-IBGZPJMESA-N 1 0 389.463 2.386 20 0 GEADRO CN1CC[N@H+](CCCNc2cnccc2-c2nn[nH]n2)[C@H](c2ccccc2)C1 ZINC000826038120 608772191 /nfs/dbraw/zinc/77/21/91/608772191.db2.gz IENMYLOMSUSGMR-IBGZPJMESA-N 1 0 378.484 2.052 20 0 GEADRO O[C@@H](C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502354 608802932 /nfs/dbraw/zinc/80/29/32/608802932.db2.gz BMFIJGIUKADTML-XLIONFOSSA-N 1 0 389.463 2.414 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824598796 609137019 /nfs/dbraw/zinc/13/70/19/609137019.db2.gz IXRGDPCLERBTKD-ZDUSSCGKSA-N 1 0 389.456 2.271 20 0 GEADRO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577004 609146087 /nfs/dbraw/zinc/14/60/87/609146087.db2.gz FTLOJYYSSDHRFI-YCRPNKLZSA-N 1 0 396.470 2.293 20 0 GEADRO CC(C)(C)OC1CC([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000824120110 609168444 /nfs/dbraw/zinc/16/84/44/609168444.db2.gz YPAMDGBXAQXGFK-PREGVCBESA-N 1 0 384.484 2.298 20 0 GEADRO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C(C)(C)O1 ZINC000824788598 609168877 /nfs/dbraw/zinc/16/88/77/609168877.db2.gz BOEJNQKZEBEVLX-CVEARBPZSA-N 1 0 384.484 2.298 20 0 GEADRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824530044 609221836 /nfs/dbraw/zinc/22/18/36/609221836.db2.gz JEAJLHWCYPASKK-KBXCAEBGSA-N 1 0 394.479 2.146 20 0 GEADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000824985339 609225311 /nfs/dbraw/zinc/22/53/11/609225311.db2.gz VRNGDJSHZMTJMN-KBPBESRZSA-N 1 0 379.468 2.081 20 0 GEADRO OCCOc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826510583 609278488 /nfs/dbraw/zinc/27/84/88/609278488.db2.gz ZEVSCXMLUBUQHK-UHFFFAOYSA-N 1 0 394.479 2.314 20 0 GEADRO C[C@H](NC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824498135 609298315 /nfs/dbraw/zinc/29/83/15/609298315.db2.gz CDHJTMVHBLHNRE-YOEHRIQHSA-N 1 0 383.500 2.319 20 0 GEADRO C[C@H](NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C1=CC[N@H+](C)CC1 ZINC000824489898 609316052 /nfs/dbraw/zinc/31/60/52/609316052.db2.gz NNRBDDDFSRDPBA-AWEZNQCLSA-N 1 0 381.484 2.191 20 0 GEADRO C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000824488272 609316614 /nfs/dbraw/zinc/31/66/14/609316614.db2.gz DRMCRUVNXYWRSV-OAHLLOKOSA-N 1 0 393.495 2.316 20 0 GEADRO COc1cccc([C@H]2[C@@H](Nc3ccc(-c4nn[nH]n4)nn3)CC[N@@H+]2C2CC2)c1 ZINC000826215178 609323091 /nfs/dbraw/zinc/32/30/91/609323091.db2.gz IMPUBQPCQUCHKA-YJBOKZPZSA-N 1 0 378.440 2.055 20 0 GEADRO C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824594230 609332123 /nfs/dbraw/zinc/33/21/23/609332123.db2.gz YLYLIXRGDLNXSA-LBPRGKRZSA-N 1 0 384.415 2.182 20 0 GEADRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826181302 609336326 /nfs/dbraw/zinc/33/63/26/609336326.db2.gz TXSIGTRVULMYIH-VOJFVSQTSA-N 1 0 387.415 2.407 20 0 GEADRO CN(C)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000825879977 609336979 /nfs/dbraw/zinc/33/69/79/609336979.db2.gz UIUUSDJJQAWBFK-UHFFFAOYSA-N 1 0 389.467 2.018 20 0 GEADRO Cn1cc(C[NH2+]CCC(=O)OC(C)(C)C)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361550 609340765 /nfs/dbraw/zinc/34/07/65/609340765.db2.gz BZBUNIBWFMBCSI-UHFFFAOYSA-N 1 0 383.456 2.089 20 0 GEADRO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824199965 609342261 /nfs/dbraw/zinc/34/22/61/609342261.db2.gz NEVXCCVNTSJPJW-GOSISDBHSA-N 1 0 383.500 2.400 20 0 GEADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824466317 609344966 /nfs/dbraw/zinc/34/49/66/609344966.db2.gz WHXHGRRFHRSHKU-CHWSQXEVSA-N 1 0 393.426 2.455 20 0 GEADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNc2snc(Cl)c2-c2nn[nH]n2)C1 ZINC000826506749 609388406 /nfs/dbraw/zinc/38/84/06/609388406.db2.gz BABZVGAXAPPMOY-GFCCVEGCSA-N 1 0 391.888 2.155 20 0 GEADRO O=C1[C@H]([NH2+]Cc2ccc(Cl)nc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477030 609413599 /nfs/dbraw/zinc/41/35/99/609413599.db2.gz UMLIURLLNKRRMF-OAHLLOKOSA-N 1 0 383.843 2.200 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2ccnc2)c1 ZINC000824564815 609441244 /nfs/dbraw/zinc/44/12/44/609441244.db2.gz WEPLKJVFQVNXAL-AWEZNQCLSA-N 1 0 388.435 2.342 20 0 GEADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826287750 609452965 /nfs/dbraw/zinc/45/29/65/609452965.db2.gz 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COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451880525 650149610 /nfs/dbraw/zinc/14/96/10/650149610.db2.gz WPEJKKBGXWQYKJ-WCQYABFASA-N 1 0 380.491 2.013 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000451915187 650153040 /nfs/dbraw/zinc/15/30/40/650153040.db2.gz SUNCZQOGQAGXBF-HLNSBACISA-N 1 0 391.339 2.261 20 0 GEADRO COC[C@@]1(CO)CC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000451935454 650155210 /nfs/dbraw/zinc/15/52/10/650155210.db2.gz WAUYDJIWSRMVLI-KRWDZBQOSA-N 1 0 375.296 2.283 20 0 GEADRO C[C@@H]1C[N@H+](CCO)CCN1Cc1cc2c(cc1Br)OCCCO2 ZINC000452136587 650175491 /nfs/dbraw/zinc/17/54/91/650175491.db2.gz YQZQNYRABIPREG-CYBMUJFWSA-N 1 0 385.302 2.109 20 0 GEADRO C[C@H]1C[N@H+](CCO)CCN1Cc1cc2c(cc1Br)OCCCO2 ZINC000452136588 650175625 /nfs/dbraw/zinc/17/56/25/650175625.db2.gz YQZQNYRABIPREG-ZDUSSCGKSA-N 1 0 385.302 2.109 20 0 GEADRO C[NH+](C)CC1(C(=O)NCCn2cc(Br)ccc2=O)CCCCC1 ZINC000452298588 650178419 /nfs/dbraw/zinc/17/84/19/650178419.db2.gz PTCFGLQMLKIVSQ-UHFFFAOYSA-N 1 0 384.318 2.239 20 0 GEADRO C[C@H](C(=O)NCCn1cc(Br)ccc1=O)[N@H+](C)Cc1ccccc1 ZINC000452298779 650178638 /nfs/dbraw/zinc/17/86/38/650178638.db2.gz QPPTWLIXJXQXJQ-CQSZACIVSA-N 1 0 392.297 2.248 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000452378805 650182900 /nfs/dbraw/zinc/18/29/00/650182900.db2.gz XZDYJRBDRSAGEK-CABCVRRESA-N 1 0 399.329 2.488 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452380469 650183427 /nfs/dbraw/zinc/18/34/27/650183427.db2.gz GORXPZFMQGEPBH-MRXNPFEDSA-N 1 0 399.329 2.353 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452388762 650183777 /nfs/dbraw/zinc/18/37/77/650183777.db2.gz KJQIMBAUSWWDBJ-ZIAGYGMSSA-N 1 0 385.302 2.179 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000452393764 650184251 /nfs/dbraw/zinc/18/42/51/650184251.db2.gz UBBMWDNRWGZFNH-LSDHHAIUSA-N 1 0 399.329 2.488 20 0 GEADRO Cc1ccc(OCCC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000452800559 650198156 /nfs/dbraw/zinc/19/81/56/650198156.db2.gz RPCQXMMRPJEVKI-OAHLLOKOSA-N 1 0 399.329 2.489 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)Cc2cnccn2)s1 ZINC000453104248 650205596 /nfs/dbraw/zinc/20/55/96/650205596.db2.gz FHWAABFNDCKZEL-CQSZACIVSA-N 1 0 382.555 2.332 20 0 GEADRO COC1([C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)CCOCC1 ZINC000453147234 650206500 /nfs/dbraw/zinc/20/65/00/650206500.db2.gz PZQXDETYJRWIBL-ZDUSSCGKSA-N 1 0 385.302 2.353 20 0 GEADRO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000453212410 650207053 /nfs/dbraw/zinc/20/70/53/650207053.db2.gz PAFSEMWMBFJYFJ-JKSUJKDBSA-N 1 0 382.555 2.270 20 0 GEADRO CO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C12CCC2 ZINC000453214741 650207088 /nfs/dbraw/zinc/20/70/88/650207088.db2.gz NGJXXQTZZZPOIC-HUUCEWRRSA-N 1 0 376.881 2.305 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000453277354 650207553 /nfs/dbraw/zinc/20/75/53/650207553.db2.gz OAVUHWGPNTYROF-UONOGXRCSA-N 1 0 394.718 2.229 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000453281332 650207842 /nfs/dbraw/zinc/20/78/42/650207842.db2.gz KWYCBQJKGRRXDN-YGRLFVJLSA-N 1 0 379.295 2.493 20 0 GEADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1Br ZINC000453343888 650208208 /nfs/dbraw/zinc/20/82/08/650208208.db2.gz CXTKCVYGDDMSCW-HUUCEWRRSA-N 1 0 390.343 2.075 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2ccc(=O)[nH]n2)cc1Br ZINC000453341625 650208223 /nfs/dbraw/zinc/20/82/23/650208223.db2.gz CDWOXUAAJIVJOC-DGCLKSJQSA-N 1 0 396.285 2.455 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000453343298 650208241 /nfs/dbraw/zinc/20/82/41/650208241.db2.gz DIFSTRGNVBSKBB-UKRRQHHQSA-N 1 0 390.343 2.075 20 0 GEADRO CCCNC(=O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000453573034 650209279 /nfs/dbraw/zinc/20/92/79/650209279.db2.gz HVHASGRSQCEUQE-GFCCVEGCSA-N 1 0 397.317 2.054 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000453575889 650209364 /nfs/dbraw/zinc/20/93/64/650209364.db2.gz MBXHSVKCFVSXBG-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000453603517 650210266 /nfs/dbraw/zinc/21/02/66/650210266.db2.gz HZSJGJAOXNOULE-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000453614436 650210485 /nfs/dbraw/zinc/21/04/85/650210485.db2.gz VFBLMFXTYLDJEN-RYUDHWBXSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000453631925 650211111 /nfs/dbraw/zinc/21/11/11/650211111.db2.gz PGEXYHQHLFCRST-AWEZNQCLSA-N 1 0 395.301 2.178 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cnc2C)C1 ZINC000453651091 650212378 /nfs/dbraw/zinc/21/23/78/650212378.db2.gz BUYHXSRUISVAAX-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453652300 650212718 /nfs/dbraw/zinc/21/27/18/650212718.db2.gz ZQBMHROFFUTLTN-UHFFFAOYSA-N 1 0 393.285 2.394 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000453673707 650214407 /nfs/dbraw/zinc/21/44/07/650214407.db2.gz MCZWMXAXTHFWFY-ZYHUDNBSSA-N 1 0 386.265 2.244 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000453713299 650218785 /nfs/dbraw/zinc/21/87/85/650218785.db2.gz UJRSXZCCYZXHCE-GFCCVEGCSA-N 1 0 397.317 2.280 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000453707526 650218162 /nfs/dbraw/zinc/21/81/62/650218162.db2.gz LBFLFHVIHLGTJO-AWEZNQCLSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000453768860 650224697 /nfs/dbraw/zinc/22/46/97/650224697.db2.gz ZATLWRRADRLYEC-GFCCVEGCSA-N 1 0 397.317 2.472 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12)C[NH+](C)C ZINC000453768464 650224738 /nfs/dbraw/zinc/22/47/38/650224738.db2.gz ULBDXWRSBAINCG-NSHDSACASA-N 1 0 393.285 2.250 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2F)CC[N@@H+](C2CC2)C1 ZINC000453776492 650225694 /nfs/dbraw/zinc/22/56/94/650225694.db2.gz XTNQOAGVSZPGLF-LLVKDONJSA-N 1 0 398.276 2.469 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cc1Br ZINC000454068713 650250578 /nfs/dbraw/zinc/25/05/78/650250578.db2.gz LYPQIVPBLCGLPF-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000454080120 650251069 /nfs/dbraw/zinc/25/10/69/650251069.db2.gz BLLXNKNSYQPZKV-GFCCVEGCSA-N 1 0 386.265 2.468 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000454090069 650251986 /nfs/dbraw/zinc/25/19/86/650251986.db2.gz BKILUWXBKJGZAK-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000454093419 650252175 /nfs/dbraw/zinc/25/21/75/650252175.db2.gz KJJMZYNSKFKACG-LBPRGKRZSA-N 1 0 386.265 2.468 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000454244104 650260274 /nfs/dbraw/zinc/26/02/74/650260274.db2.gz VRPBQHVABINVTJ-CYBMUJFWSA-N 1 0 386.319 2.346 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000454495911 650268234 /nfs/dbraw/zinc/26/82/34/650268234.db2.gz YJVDSLVNHPEZNV-DOTOQJQBSA-N 1 0 395.345 2.194 20 0 GEADRO COc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000454552631 650269566 /nfs/dbraw/zinc/26/95/66/650269566.db2.gz QJBYIOKMRDLAAG-CYBMUJFWSA-N 1 0 386.290 2.426 20 0 GEADRO Cc1nc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)sc1Br ZINC000454617201 650272826 /nfs/dbraw/zinc/27/28/26/650272826.db2.gz XEKFZVSYQKXCLH-CYBMUJFWSA-N 1 0 393.376 2.451 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454642842 650274126 /nfs/dbraw/zinc/27/41/26/650274126.db2.gz GILNTOKDRLUNFL-ABCZVMIZSA-N 1 0 395.345 2.397 20 0 GEADRO CC(C)(CNC(=O)NCCn1cc(Br)ccc1=O)C[NH+]1CCCC1 ZINC000455143586 650291956 /nfs/dbraw/zinc/29/19/56/650291956.db2.gz DNEYXYLHJNVLIQ-UHFFFAOYSA-N 1 0 399.333 2.032 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(I)cn1 ZINC000455517744 650306883 /nfs/dbraw/zinc/30/68/83/650306883.db2.gz KYLBRECWCVLITH-UHFFFAOYSA-N 1 0 375.254 2.346 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455657276 650311630 /nfs/dbraw/zinc/31/16/30/650311630.db2.gz MXOKFHRIBYWPTG-VXGBXAGGSA-N 1 0 380.436 2.499 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000455699900 650313080 /nfs/dbraw/zinc/31/30/80/650313080.db2.gz JZRLTSRWTWRSKG-RYUDHWBXSA-N 1 0 380.436 2.153 20 0 GEADRO CCC(CC)[C@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[NH+](C)C ZINC000455854225 650322130 /nfs/dbraw/zinc/32/21/30/650322130.db2.gz DAJMRPDALJAXEI-ZDUSSCGKSA-N 1 0 397.321 2.980 20 0 GEADRO CN(CC(=O)NC(C)(C)CCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000456207039 650334036 /nfs/dbraw/zinc/33/40/36/650334036.db2.gz SAKBJBURQMIJJU-UHFFFAOYSA-N 1 0 389.949 2.197 20 0 GEADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000456388788 650339130 /nfs/dbraw/zinc/33/91/30/650339130.db2.gz UHDOYQDJHQBSNS-LLVKDONJSA-N 1 0 396.285 2.336 20 0 GEADRO Cc1cc[nH]c1C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000456573907 650348998 /nfs/dbraw/zinc/34/89/98/650348998.db2.gz HUYJCNBGMUTOFI-UHFFFAOYSA-N 1 0 378.274 2.485 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC000456723367 650359307 /nfs/dbraw/zinc/35/93/07/650359307.db2.gz OAKXWQUAXDNHRA-CYBMUJFWSA-N 1 0 399.329 2.067 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000456707691 650355884 /nfs/dbraw/zinc/35/58/84/650355884.db2.gz DBBTZVVPOUSSGT-NOLJZWGESA-N 1 0 383.330 2.222 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Br)ccc2O)CC1 ZINC000456906796 650366827 /nfs/dbraw/zinc/36/68/27/650366827.db2.gz VKPKFNOSKJBIJR-UHFFFAOYSA-N 1 0 384.318 2.301 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc(Cl)c1OC ZINC000500548871 650380232 /nfs/dbraw/zinc/38/02/32/650380232.db2.gz WESWDLZTRYHYJX-JSGCOSHPSA-N 1 0 376.906 2.165 20 0 GEADRO O=C(CC[NH+]1CCN(Cc2ncc[nH]2)CC1)Nc1ccc(Br)cc1 ZINC000500297131 650374556 /nfs/dbraw/zinc/37/45/56/650374556.db2.gz MOUOYMOWUVHXOP-UHFFFAOYSA-N 1 0 392.301 2.319 20 0 GEADRO Cc1cc(Br)c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000457519144 650380316 /nfs/dbraw/zinc/38/03/16/650380316.db2.gz KHVXGTLHWJFSID-NSHDSACASA-N 1 0 388.331 2.136 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000457361241 650376315 /nfs/dbraw/zinc/37/63/15/650376315.db2.gz JLRZERMXAHMMRY-OXIQGZBJSA-N 1 0 382.302 2.152 20 0 GEADRO C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](C)[C@H]1[NH3+] ZINC000457366071 650376862 /nfs/dbraw/zinc/37/68/62/650376862.db2.gz URRGWZONRKNIOZ-MRHIQRDNSA-N 1 0 394.313 2.386 20 0 GEADRO COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000500459901 650377635 /nfs/dbraw/zinc/37/76/35/650377635.db2.gz IBLDGUAZCDFMNG-FZMZJTMJSA-N 1 0 378.441 2.104 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000500492814 650379316 /nfs/dbraw/zinc/37/93/16/650379316.db2.gz BORUPPHDIJIOBQ-GXTWGEPZSA-N 1 0 380.432 2.435 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000500494497 650379538 /nfs/dbraw/zinc/37/95/38/650379538.db2.gz GNFGWKPNSZNIQX-HIFRSBDPSA-N 1 0 380.432 2.435 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000500503412 650379864 /nfs/dbraw/zinc/37/98/64/650379864.db2.gz ZCYNSHIEZBNRDJ-AWEZNQCLSA-N 1 0 389.924 2.270 20 0 GEADRO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cc(Br)co3)CC2)nc1 ZINC000457570823 650381169 /nfs/dbraw/zinc/38/11/69/650381169.db2.gz LEFKRMPQXKUJSK-UHFFFAOYSA-N 1 0 393.285 2.461 20 0 GEADRO CC[C@@H](CC(F)F)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000457755479 650383833 /nfs/dbraw/zinc/38/38/33/650383833.db2.gz QADMXWQVAUJEJF-LBPRGKRZSA-N 1 0 377.457 2.146 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C[C@H]1C ZINC000500937337 650384981 /nfs/dbraw/zinc/38/49/81/650384981.db2.gz UKFIEROMJPZDLJ-YPMHNXCESA-N 1 0 385.921 2.184 20 0 GEADRO O=C(NCc1ccc(Br)s1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457812244 650385365 /nfs/dbraw/zinc/38/53/65/650385365.db2.gz SJJQAWOEAYCJGY-NSHDSACASA-N 1 0 376.320 2.157 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000501012474 650386150 /nfs/dbraw/zinc/38/61/50/650386150.db2.gz ITCPBVMERZYCCA-ZDUSSCGKSA-N 1 0 390.347 2.230 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000501319584 650389898 /nfs/dbraw/zinc/38/98/98/650389898.db2.gz HLNHJLJXXIMXSQ-GFCCVEGCSA-N 1 0 383.286 2.315 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000458004748 650392398 /nfs/dbraw/zinc/39/23/98/650392398.db2.gz DSLIJNBSMYYVBD-ZBFHGGJFSA-N 1 0 398.345 2.302 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000501692601 650396685 /nfs/dbraw/zinc/39/66/85/650396685.db2.gz JTOWMMMUEJCWGN-LLVKDONJSA-N 1 0 384.278 2.142 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2sccc2Br)C[C@H](C)[N@H+]1CCO ZINC000458160091 650398363 /nfs/dbraw/zinc/39/83/63/650398363.db2.gz WQUSFMWCULPVBV-PHIMTYICSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[S@]1=O ZINC000458378729 650401379 /nfs/dbraw/zinc/40/13/79/650401379.db2.gz GFTJOWDAFNMRQL-PUAOIOHZSA-N 1 0 387.615 2.291 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H](C)[N@H+]1CCO ZINC000458718770 650409102 /nfs/dbraw/zinc/40/91/02/650409102.db2.gz BPQJSCXVUADUTL-UWWPHRKUSA-N 1 0 396.329 2.402 20 0 GEADRO O=C(NCc1ccsc1Br)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458727442 650409346 /nfs/dbraw/zinc/40/93/46/650409346.db2.gz AHFPGVLPLGSVIY-LBPRGKRZSA-N 1 0 376.320 2.157 20 0 GEADRO CN(C)S(=O)(=O)CCC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000502299748 650404902 /nfs/dbraw/zinc/40/49/02/650404902.db2.gz XJTJEOWOIRXQMJ-UHFFFAOYSA-N 1 0 383.436 2.129 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1nc(C(F)(F)F)cs1 ZINC000458731229 650409838 /nfs/dbraw/zinc/40/98/38/650409838.db2.gz VVMRRGDKBVHFPM-GHMZBOCLSA-N 1 0 380.436 2.369 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458695823 650407885 /nfs/dbraw/zinc/40/78/85/650407885.db2.gz SYAOOEZIZFIPEN-MRXNPFEDSA-N 1 0 384.318 2.404 20 0 GEADRO Cc1cccc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1Br ZINC000502589906 650408699 /nfs/dbraw/zinc/40/86/99/650408699.db2.gz WCVJCRBGCFYUHF-UONOGXRCSA-N 1 0 384.318 2.354 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000458711704 650408751 /nfs/dbraw/zinc/40/87/51/650408751.db2.gz MFFLXOHYCIKNHO-CYBMUJFWSA-N 1 0 387.933 2.275 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C[C@H](C)[N@H+]1CCO ZINC000458729527 650409826 /nfs/dbraw/zinc/40/98/26/650409826.db2.gz KDVRDYFBOKZMTG-UICACZKSSA-N 1 0 396.329 2.402 20 0 GEADRO CCN(C)C(=O)CC[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000503256494 650416691 /nfs/dbraw/zinc/41/66/91/650416691.db2.gz KPUIJXRBWOGALR-UHFFFAOYSA-N 1 0 390.347 2.317 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000503223651 650416393 /nfs/dbraw/zinc/41/63/93/650416393.db2.gz OCZHRKIGNCMNLH-QWHCGFSZSA-N 1 0 397.335 2.254 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000503075867 650414438 /nfs/dbraw/zinc/41/44/38/650414438.db2.gz ROPVFNXYZDQNAE-UHFFFAOYSA-N 1 0 388.327 2.358 20 0 GEADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(CC)CC(=O)NCc1cccs1 ZINC000503459003 650418001 /nfs/dbraw/zinc/41/80/01/650418001.db2.gz IJSMONROCVTVOZ-JKSUJKDBSA-N 1 0 383.583 2.477 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000503504546 650418593 /nfs/dbraw/zinc/41/85/93/650418593.db2.gz RWULARVSPNFYDH-HNNXBMFYSA-N 1 0 380.501 2.169 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000503503678 650418690 /nfs/dbraw/zinc/41/86/90/650418690.db2.gz HYGDINKAYOEHGN-UWVGGRQHSA-N 1 0 395.294 2.358 20 0 GEADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000503544321 650419482 /nfs/dbraw/zinc/41/94/82/650419482.db2.gz ZCRLDONZEZZRAO-GJZGRUSLSA-N 1 0 380.501 2.169 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2cccc(Br)c2)C[C@@H]1C ZINC000459147565 650419657 /nfs/dbraw/zinc/41/96/57/650419657.db2.gz JZNGNUMLMGLIIA-UONOGXRCSA-N 1 0 384.318 2.088 20 0 GEADRO O=C(NCCc1cccc(Br)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000459154613 650420090 /nfs/dbraw/zinc/42/00/90/650420090.db2.gz SYAPYXSJUGQOID-INIZCTEOSA-N 1 0 384.318 2.138 20 0 GEADRO COC(=O)CC1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000459385120 650423605 /nfs/dbraw/zinc/42/36/05/650423605.db2.gz FQOVGHCRTMGXHQ-CYBMUJFWSA-N 1 0 390.249 2.403 20 0 GEADRO CCOc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc(Cl)c1O ZINC000459553020 650428863 /nfs/dbraw/zinc/42/88/63/650428863.db2.gz XLNKCNBHRXVTLZ-CYBMUJFWSA-N 1 0 376.906 2.348 20 0 GEADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504075767 650427299 /nfs/dbraw/zinc/42/72/99/650427299.db2.gz FQUGONWIIFKJEZ-PMPSAXMXSA-N 1 0 382.302 2.409 20 0 GEADRO CN(C)S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000459530032 650427481 /nfs/dbraw/zinc/42/74/81/650427481.db2.gz AWTRZOKSAVWALQ-GJZGRUSLSA-N 1 0 379.448 2.327 20 0 GEADRO NC(=O)Cn1cc(C[NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)nn1 ZINC000459541348 650428041 /nfs/dbraw/zinc/42/80/41/650428041.db2.gz WCVUFZMMCUVUMK-HNNXBMFYSA-N 1 0 392.301 2.027 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459703934 650430091 /nfs/dbraw/zinc/43/00/91/650430091.db2.gz LSYYAYRBNVMWSE-CXAGYDPISA-N 1 0 380.286 2.037 20 0 GEADRO CO[C@@H]1COC[C@@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000459759799 650432394 /nfs/dbraw/zinc/43/23/94/650432394.db2.gz RVONJWXYXNJFNG-UONOGXRCSA-N 1 0 377.222 2.064 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000459860438 650434144 /nfs/dbraw/zinc/43/41/44/650434144.db2.gz YGDWEVQCIYRKDV-INIZCTEOSA-N 1 0 396.329 2.350 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000506357131 650444199 /nfs/dbraw/zinc/44/41/99/650444199.db2.gz QCTTYJUSEIUKSZ-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ncnc2cc(F)c(Br)cc21 ZINC000545167761 650450223 /nfs/dbraw/zinc/45/02/23/650450223.db2.gz LPHZETXZICBYMI-CQSZACIVSA-N 1 0 396.264 2.283 20 0 GEADRO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000461545002 650456422 /nfs/dbraw/zinc/45/64/22/650456422.db2.gz NIRFTYJAXQUYPL-AWEZNQCLSA-N 1 0 387.571 2.339 20 0 GEADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000507373084 650459496 /nfs/dbraw/zinc/45/94/96/650459496.db2.gz CGAUAEAEHWCYTI-HNNXBMFYSA-N 1 0 380.539 2.499 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000461896843 650462025 /nfs/dbraw/zinc/46/20/25/650462025.db2.gz BMTZCCSKIZZEIO-BLLLJJGKSA-N 1 0 375.897 2.133 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000461898472 650462048 /nfs/dbraw/zinc/46/20/48/650462048.db2.gz ATBLUPOCAQHUDC-QWHCGFSZSA-N 1 0 389.315 2.124 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N(C)[C@H](C[NH3+])C3CC3)ccc2s1 ZINC000461899397 650462261 /nfs/dbraw/zinc/46/22/61/650462261.db2.gz JHMNSUYNIYOXHU-CQSZACIVSA-N 1 0 382.507 2.436 20 0 GEADRO CN(CCN(C)S(=O)(=O)c1ccc(C(F)(F)F)s1)C1CC[NH+](C)CC1 ZINC000462099287 650467922 /nfs/dbraw/zinc/46/79/22/650467922.db2.gz CQEYXIYGRHQKCD-UHFFFAOYSA-N 1 0 399.504 2.413 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)c2ccsc2)C1 ZINC000508186733 650476904 /nfs/dbraw/zinc/47/69/04/650476904.db2.gz DLTXGORPJMIFLF-AWEZNQCLSA-N 1 0 379.507 2.246 20 0 GEADRO CC(C)[NH+](CCN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)s1)C(C)C ZINC000508074573 650473693 /nfs/dbraw/zinc/47/36/93/650473693.db2.gz CMFZFHXKUSTSGK-UHFFFAOYSA-N 1 0 395.978 2.257 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000462295653 650473848 /nfs/dbraw/zinc/47/38/48/650473848.db2.gz YQGSEDIDRUGOLK-UHFFFAOYSA-N 1 0 380.432 2.272 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000462346047 650476592 /nfs/dbraw/zinc/47/65/92/650476592.db2.gz BQTCMSFSGKLFJU-HUUCEWRRSA-N 1 0 385.302 2.212 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462414463 650478345 /nfs/dbraw/zinc/47/83/45/650478345.db2.gz XGZXQVXEKYCXJQ-MLGOLLRUSA-N 1 0 399.276 2.304 20 0 GEADRO COCCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CCCSC1 ZINC000462504978 650482314 /nfs/dbraw/zinc/48/23/14/650482314.db2.gz PCHSCFMYEOOIML-HNNXBMFYSA-N 1 0 375.604 2.367 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000462501929 650482349 /nfs/dbraw/zinc/48/23/49/650482349.db2.gz OJBSBGVPJHEKTP-KOLCDFICSA-N 1 0 377.869 2.199 20 0 GEADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000509296118 650492788 /nfs/dbraw/zinc/49/27/88/650492788.db2.gz ZIUVXPXXCGUWLG-CYBMUJFWSA-N 1 0 376.425 2.302 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509357754 650494036 /nfs/dbraw/zinc/49/40/36/650494036.db2.gz UOFJFUPOAUSWOD-AWEZNQCLSA-N 1 0 380.432 2.403 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)c1[nH]nc2ccc(I)cc21 ZINC000463387222 650494585 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ZINC000512849798 650555209 /nfs/dbraw/zinc/55/52/09/650555209.db2.gz GVWJWTFGHVCQEW-IAQYHMDHSA-N 1 0 391.331 2.352 20 0 GEADRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(Br)cn1 ZINC000476602030 650555373 /nfs/dbraw/zinc/55/53/73/650555373.db2.gz LPMJPUNUWOTZIR-GFCCVEGCSA-N 1 0 376.320 2.387 20 0 GEADRO Cc1n[nH]c(C)c1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000512873852 650555482 /nfs/dbraw/zinc/55/54/82/650555482.db2.gz GMWYIEFCXKOJRV-UHFFFAOYSA-N 1 0 377.297 2.401 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000512996425 650556021 /nfs/dbraw/zinc/55/60/21/650556021.db2.gz LXQGNDVVLYWNKR-CYBMUJFWSA-N 1 0 379.295 2.492 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2cccnc2)c1 ZINC000513052207 650556950 /nfs/dbraw/zinc/55/69/50/650556950.db2.gz RAXRVEDIEFHZJI-UHFFFAOYSA-N 1 0 384.299 2.221 20 0 GEADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ncc(CN(C)C)s2)s1 ZINC000513090495 650557627 /nfs/dbraw/zinc/55/76/27/650557627.db2.gz UWKLJDDENMYNLX-GHMZBOCLSA-N 1 0 382.559 2.372 20 0 GEADRO C[NH+](C)CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1CC1 ZINC000476816725 650560271 /nfs/dbraw/zinc/56/02/71/650560271.db2.gz GHEOWJFQUOCDOQ-ZDUSSCGKSA-N 1 0 394.313 2.355 20 0 GEADRO CC(C)[N@H+](C)CC(=O)NCCOc1ccc(I)cc1 ZINC000513859276 650570772 /nfs/dbraw/zinc/57/07/72/650570772.db2.gz JVBLGPOKVNDLIB-UHFFFAOYSA-N 1 0 376.238 2.126 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)NCCCn2cc(Br)cn2)C1 ZINC000513604468 650565990 /nfs/dbraw/zinc/56/59/90/650565990.db2.gz VQFWFOOFDLTXQJ-UHFFFAOYSA-N 1 0 386.338 2.457 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000477030832 650566743 /nfs/dbraw/zinc/56/67/43/650566743.db2.gz GAVQKSQKOJPJFR-LLVKDONJSA-N 1 0 390.347 2.016 20 0 GEADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H](C)CC[NH3+] ZINC000477247207 650573096 /nfs/dbraw/zinc/57/30/96/650573096.db2.gz HPMQRPHMWCJUST-IUODEOHRSA-N 1 0 399.333 2.271 20 0 GEADRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000514107553 650573448 /nfs/dbraw/zinc/57/34/48/650573448.db2.gz MZHUITANKJXKAX-AWEZNQCLSA-N 1 0 387.933 2.272 20 0 GEADRO COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1I ZINC000477451490 650574110 /nfs/dbraw/zinc/57/41/10/650574110.db2.gz JUXWVOKPRYGMSF-NSHDSACASA-N 1 0 386.233 2.266 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000514605675 650574965 /nfs/dbraw/zinc/57/49/65/650574965.db2.gz RJOVFLQPPHATLO-SNVBAGLBSA-N 1 0 380.539 2.362 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]CCC(=O)Nc2ccccc2)c(C)s1 ZINC000514789317 650579390 /nfs/dbraw/zinc/57/93/90/650579390.db2.gz XJGCHVGTWRWNQV-UHFFFAOYSA-N 1 0 381.523 2.262 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2NS(C)(=O)=O)C1 ZINC000514735654 650578035 /nfs/dbraw/zinc/57/80/35/650578035.db2.gz CTAHZYWUZKXCEU-JTQLQIEISA-N 1 0 379.404 2.357 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CCN2C1=O ZINC000514799263 650579706 /nfs/dbraw/zinc/57/97/06/650579706.db2.gz QHXNJNIGQMNCLM-JOYOIKCWSA-N 1 0 376.766 2.135 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000514754635 650578421 /nfs/dbraw/zinc/57/84/21/650578421.db2.gz RLFIEQGSKVDXNW-CQSZACIVSA-N 1 0 394.313 2.355 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000514856304 650580855 /nfs/dbraw/zinc/58/08/55/650580855.db2.gz XMLAIVLAVJXCQR-CYBMUJFWSA-N 1 0 382.309 2.148 20 0 GEADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CCn1cc(Br)ccc1=O ZINC000515062104 650585821 /nfs/dbraw/zinc/58/58/21/650585821.db2.gz OMTRIIIAQKLHMJ-INIZCTEOSA-N 1 0 390.281 2.086 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000478465103 650586192 /nfs/dbraw/zinc/58/61/92/650586192.db2.gz WBRYVBOEWVFOAV-UHFFFAOYSA-N 1 0 377.242 2.210 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000515176214 650588587 /nfs/dbraw/zinc/58/85/87/650588587.db2.gz DETOOHBASRFBJX-LKTVYLICSA-N 1 0 378.416 2.462 20 0 GEADRO C[N@H+](CCNC(=O)N(CCO)Cc1ccc(Br)s1)C1CC1 ZINC000478625133 650589156 /nfs/dbraw/zinc/58/91/56/650589156.db2.gz AOCHQHJGQRQICQ-UHFFFAOYSA-N 1 0 376.320 2.109 20 0 GEADRO Cn1cc(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc(Br)c1=O ZINC000515218628 650589913 /nfs/dbraw/zinc/58/99/13/650589913.db2.gz ZLXOCRHUULSKCZ-HNNXBMFYSA-N 1 0 391.269 2.156 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N(C)CC[NH+](C)C)CC2=O)ccc1Br ZINC000478738831 650591021 /nfs/dbraw/zinc/59/10/21/650591021.db2.gz ZCEZJJDFMNFJRJ-CYBMUJFWSA-N 1 0 382.302 2.130 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)c1cc(Br)ccc1OC(F)F ZINC000515849677 650594880 /nfs/dbraw/zinc/59/48/80/650594880.db2.gz XNXPLIQGIBYLDY-UHFFFAOYSA-N 1 0 381.217 2.095 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)CN(C)C ZINC000479070972 650595576 /nfs/dbraw/zinc/59/55/76/650595576.db2.gz QVIPTNBROMNCNS-SWLSCSKDSA-N 1 0 376.282 2.124 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(F)cc2Br)C1 ZINC000479309531 650601006 /nfs/dbraw/zinc/60/10/06/650601006.db2.gz BYPIGBCUDQRZFW-CQSZACIVSA-N 1 0 388.281 2.450 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CCC1 ZINC000517017809 650601722 /nfs/dbraw/zinc/60/17/22/650601722.db2.gz ALWZEXAFHRPRHO-UHFFFAOYSA-N 1 0 394.191 2.404 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCn1cc(Br)ccc1=O ZINC000479580097 650606708 /nfs/dbraw/zinc/60/67/08/650606708.db2.gz HBQKPXDPXXJLPD-CYBMUJFWSA-N 1 0 384.318 2.190 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000479377960 650602154 /nfs/dbraw/zinc/60/21/54/650602154.db2.gz LNZDGGLWEGKKDZ-MRXNPFEDSA-N 1 0 388.961 2.316 20 0 GEADRO CSCC[C@H](CO)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479383372 650602444 /nfs/dbraw/zinc/60/24/44/650602444.db2.gz CHOBLEJUNWVPFX-DTWKUNHWSA-N 1 0 387.354 2.405 20 0 GEADRO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479390991 650602827 /nfs/dbraw/zinc/60/28/27/650602827.db2.gz LZTOCUSMXHCWBU-IDKOKCKLSA-N 1 0 394.324 2.336 20 0 GEADRO CCn1c(SC[C@@H](O)C[N@H+](C)CCOC)nc2sc(C)c(C)c2c1=O ZINC000518396218 650604314 /nfs/dbraw/zinc/60/43/14/650604314.db2.gz AGQIRNAPPVKGIG-ZDUSSCGKSA-N 1 0 385.555 2.126 20 0 GEADRO C[NH+](C)[C@@]1(CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CCSC1 ZINC000479480241 650604720 /nfs/dbraw/zinc/60/47/20/650604720.db2.gz NETJYOKKBHNEHB-CYBMUJFWSA-N 1 0 383.461 2.202 20 0 GEADRO COc1cc(Br)ccc1C[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000479620626 650607544 /nfs/dbraw/zinc/60/75/44/650607544.db2.gz VTNPAQINNXYSBY-UHFFFAOYSA-N 1 0 396.285 2.412 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1=O ZINC000519813547 650613669 /nfs/dbraw/zinc/61/36/69/650613669.db2.gz ROUVVVKAFSOSGH-UONOGXRCSA-N 1 0 391.269 2.106 20 0 GEADRO O=C(Nc1ccc(I)cc1F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000518797068 650608362 /nfs/dbraw/zinc/60/83/62/650608362.db2.gz JGNKEBAIHWHRST-DTORHVGOSA-N 1 0 375.185 2.113 20 0 GEADRO CCCCN(C(=O)CN(C)C1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000519697060 650610752 /nfs/dbraw/zinc/61/07/52/650610752.db2.gz YZDRTHWPCUDQLP-HNNXBMFYSA-N 1 0 380.501 2.312 20 0 GEADRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000520588029 650614995 /nfs/dbraw/zinc/61/49/95/650614995.db2.gz BVVIWRIOFBMMTG-AEFFLSMTSA-N 1 0 378.314 2.093 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000520621955 650615592 /nfs/dbraw/zinc/61/55/92/650615592.db2.gz MQDHJYXOKCZYHP-GFCCVEGCSA-N 1 0 395.301 2.006 20 0 GEADRO C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000480195165 650617582 /nfs/dbraw/zinc/61/75/82/650617582.db2.gz HYKOOIWAASCMHN-LBPRGKRZSA-N 1 0 382.452 2.284 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000521679576 650618671 /nfs/dbraw/zinc/61/86/71/650618671.db2.gz WXCNDJNWDLUYCG-GFCCVEGCSA-N 1 0 391.693 2.318 20 0 GEADRO C[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)C(=O)NCC[NH+](C)C ZINC000521687514 650618711 /nfs/dbraw/zinc/61/87/11/650618711.db2.gz UPMDMAIMFHXTEV-SNVBAGLBSA-N 1 0 378.325 2.268 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CCSC1 ZINC000480275207 650618754 /nfs/dbraw/zinc/61/87/54/650618754.db2.gz CIIPHCSZRVGIAA-QGZVFWFLSA-N 1 0 383.901 2.192 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000521987722 650621149 /nfs/dbraw/zinc/62/11/49/650621149.db2.gz KHFUDKWJURTJFY-UHFFFAOYSA-N 1 0 396.329 2.302 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000480607105 650625642 /nfs/dbraw/zinc/62/56/42/650625642.db2.gz DUVLQKBNVVJXAF-UHFFFAOYSA-N 1 0 399.285 2.160 20 0 GEADRO Cc1c(C(=O)NCC[N@@H+](C)C(C)C)nnn1-c1cccc(Br)c1 ZINC000522436297 650625168 /nfs/dbraw/zinc/62/51/68/650625168.db2.gz AJKKTBCHTKMWAQ-UHFFFAOYSA-N 1 0 380.290 2.408 20 0 GEADRO CCc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)s1 ZINC000480774362 650631964 /nfs/dbraw/zinc/63/19/64/650631964.db2.gz ABSPATHEHIZLED-UHFFFAOYSA-N 1 0 383.539 2.467 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(I)cc1 ZINC000480710068 650628999 /nfs/dbraw/zinc/62/89/99/650628999.db2.gz KRESIAGLPGNIRW-LLVKDONJSA-N 1 0 396.294 2.300 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000523651009 650636818 /nfs/dbraw/zinc/63/68/18/650636818.db2.gz VCNHSCGTAKLBEM-UHFFFAOYSA-N 1 0 378.270 2.362 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1n[nH]cc1Br)c1cccc(F)c1 ZINC000524139926 650638960 /nfs/dbraw/zinc/63/89/60/650638960.db2.gz GVBRGEPLOMAYRJ-AWEZNQCLSA-N 1 0 384.253 2.413 20 0 GEADRO CCOc1c(Br)cc(C(=O)NCC[N@H+](C)CCOC)cc1OC ZINC000524234269 650639392 /nfs/dbraw/zinc/63/93/92/650639392.db2.gz DRSUGGGYSQKMIM-UHFFFAOYSA-N 1 0 389.290 2.164 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000524776115 650646263 /nfs/dbraw/zinc/64/62/63/650646263.db2.gz VBQQACNUGHHIRY-KBPBESRZSA-N 1 0 394.313 2.260 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Br ZINC000481339596 650644526 /nfs/dbraw/zinc/64/45/26/650644526.db2.gz MXPJUOXMNRZCRG-CQSZACIVSA-N 1 0 393.372 2.473 20 0 GEADRO CSc1ncc(Cl)c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)n1 ZINC000524772801 650646237 /nfs/dbraw/zinc/64/62/37/650646237.db2.gz VXHDHRDEHFTRER-UHFFFAOYSA-N 1 0 379.873 2.265 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000525293200 650652997 /nfs/dbraw/zinc/65/29/97/650652997.db2.gz CRQNQWPQICCLNH-XJKSGUPXSA-N 1 0 394.313 2.260 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000481498068 650647801 /nfs/dbraw/zinc/64/78/01/650647801.db2.gz WHUTWYYJGHWIHC-UHFFFAOYSA-N 1 0 381.885 2.396 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)NCCOc2cccc(Cl)c2Cl)CC1 ZINC000524896413 650648068 /nfs/dbraw/zinc/64/80/68/650648068.db2.gz VFUUBHJSGICJFX-UHFFFAOYSA-N 1 0 376.284 2.128 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000481741665 650651976 /nfs/dbraw/zinc/65/19/76/650651976.db2.gz XGLPOYWSGMSTNU-KRWDZBQOSA-N 1 0 384.293 2.403 20 0 GEADRO C[C@@H](CNC(=O)c1[nH]nc2ccc(I)cc21)[NH+]1CCCC1 ZINC000525235317 650652398 /nfs/dbraw/zinc/65/23/98/650652398.db2.gz MXTBQEPMUSPBAD-JTQLQIEISA-N 1 0 398.248 2.382 20 0 GEADRO Ic1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000525273500 650652731 /nfs/dbraw/zinc/65/27/31/650652731.db2.gz AHCKTRQNPXIREM-HNNXBMFYSA-N 1 0 386.277 2.445 20 0 GEADRO C[N@H+](CC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)[C@H]1CCSC1 ZINC000481832815 650654290 /nfs/dbraw/zinc/65/42/90/650654290.db2.gz VNFYZADSWFQXPD-INIZCTEOSA-N 1 0 381.929 2.062 20 0 GEADRO CC[NH+]1CCN(c2ccc(C(=O)NCc3nnc(SC)s3)cc2)CC1 ZINC000527115405 650669604 /nfs/dbraw/zinc/66/96/04/650669604.db2.gz TXPGHVZNSJOMDL-UHFFFAOYSA-N 1 0 377.539 2.332 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000482846022 650669902 /nfs/dbraw/zinc/66/99/02/650669902.db2.gz SNYDHDOAMPCSJH-HNNXBMFYSA-N 1 0 378.274 2.082 20 0 GEADRO C[N@H+](CC(=O)N(CCO)Cc1ccc(Br)s1)[C@@H]1CCSC1 ZINC000483004166 650673089 /nfs/dbraw/zinc/67/30/89/650673089.db2.gz AULWVMKBOSCRAS-LLVKDONJSA-N 1 0 393.372 2.269 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000527358551 650674363 /nfs/dbraw/zinc/67/43/63/650674363.db2.gz KSUOBMJLRPJWLE-ZJUUUORDSA-N 1 0 387.449 2.146 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000527373483 650675138 /nfs/dbraw/zinc/67/51/38/650675138.db2.gz UIJXJMCOMXFEED-GXFFZTMASA-N 1 0 380.329 2.365 20 0 GEADRO Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1Br ZINC000483935151 650683344 /nfs/dbraw/zinc/68/33/44/650683344.db2.gz RTTZJPULUKPCLI-INIZCTEOSA-N 1 0 394.313 2.136 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1ncc(Br)cc1F ZINC000527654331 650681333 /nfs/dbraw/zinc/68/13/33/650681333.db2.gz ZVKAAMJCDIVXAQ-OAHLLOKOSA-N 1 0 387.297 2.016 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527651076 650681364 /nfs/dbraw/zinc/68/13/64/650681364.db2.gz SPUKWFRRPWNTAD-UHFFFAOYSA-N 1 0 396.738 2.259 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527661392 650681445 /nfs/dbraw/zinc/68/14/45/650681445.db2.gz POPGLHLFKHZKKO-QMMMGPOBSA-N 1 0 378.317 2.423 20 0 GEADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527673317 650681645 /nfs/dbraw/zinc/68/16/45/650681645.db2.gz IWIDGWLWJDZVMH-UHFFFAOYSA-N 1 0 392.294 2.029 20 0 GEADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cccc(F)c1Br ZINC000527754739 650682390 /nfs/dbraw/zinc/68/23/90/650682390.db2.gz QKDCBDDADCOCJK-QGZVFWFLSA-N 1 0 387.293 2.294 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000527757569 650682592 /nfs/dbraw/zinc/68/25/92/650682592.db2.gz KKYPWGQZNQXNDF-DOTOQJQBSA-N 1 0 388.302 2.494 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528285952 650687535 /nfs/dbraw/zinc/68/75/35/650687535.db2.gz IMJRXJJGVKMDRL-LLVKDONJSA-N 1 0 382.404 2.356 20 0 GEADRO CS[C@@H]1CN([C@@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000484623737 650687901 /nfs/dbraw/zinc/68/79/01/650687901.db2.gz RNWIMSBDCPDMEP-ARFHVFGLSA-N 1 0 398.370 2.487 20 0 GEADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000484647304 650688430 /nfs/dbraw/zinc/68/84/30/650688430.db2.gz YJGLSMHTEGFCSY-STQMWFEESA-N 1 0 393.228 2.449 20 0 GEADRO COc1cc(CNC(=O)[C@@H]2C[C@@]2(C)Br)ccc1OCC[NH+](C)C ZINC000528335534 650688963 /nfs/dbraw/zinc/68/89/63/650688963.db2.gz NDVVVYXQCUAVQQ-SUMWQHHRSA-N 1 0 385.302 2.425 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000528341196 650689330 /nfs/dbraw/zinc/68/93/30/650689330.db2.gz VSBDIENQCTWQCS-UHFFFAOYSA-N 1 0 380.436 2.124 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000528357381 650690395 /nfs/dbraw/zinc/69/03/95/650690395.db2.gz UIHYRFJMOYOERX-MRXNPFEDSA-N 1 0 384.307 2.477 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccsc1C(F)(F)F ZINC000528356629 650690452 /nfs/dbraw/zinc/69/04/52/650690452.db2.gz PLYBCGWVQRUEBG-LBPRGKRZSA-N 1 0 377.432 2.439 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000528688608 650697835 /nfs/dbraw/zinc/69/78/35/650697835.db2.gz BNXLGJAWSIGQPV-SECBINFHSA-N 1 0 376.226 2.097 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN(C)Cc2ccc(F)cc2Br)C[C@H](C)O1 ZINC000485008046 650692091 /nfs/dbraw/zinc/69/20/91/650692091.db2.gz UOUCCLBFBSWXOB-ZENOOKHLSA-N 1 0 389.309 2.490 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)NC3(C[NH+](C)C)CCC3)c(Cl)cc21 ZINC000528390129 650692220 /nfs/dbraw/zinc/69/22/20/650692220.db2.gz WHFOQNDMHPZBRO-UHFFFAOYSA-N 1 0 385.917 2.012 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000485151169 650693859 /nfs/dbraw/zinc/69/38/59/650693859.db2.gz SLIGRRLNWQVIBH-ZYHUDNBSSA-N 1 0 380.901 2.165 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000485172300 650693924 /nfs/dbraw/zinc/69/39/24/650693924.db2.gz JPTKEVVLORUIFL-UHFFFAOYSA-N 1 0 380.901 2.120 20 0 GEADRO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1cc(F)c(Br)cc1F ZINC000528637971 650697091 /nfs/dbraw/zinc/69/70/91/650697091.db2.gz YDXMRPDJGSULIC-MRVPVSSYSA-N 1 0 376.201 2.320 20 0 GEADRO OC[C@]1([NH2+]C[C@H](O)c2ccccc2Br)COc2ccccc2C1 ZINC000528652957 650697292 /nfs/dbraw/zinc/69/72/92/650697292.db2.gz RHGROVSDURRJIP-WMZOPIPTSA-N 1 0 378.266 2.438 20 0 GEADRO [NH3+]CC1(NC(=O)Nc2cnn(-c3ccccc3Br)c2)CCOCC1 ZINC000528684250 650697681 /nfs/dbraw/zinc/69/76/81/650697681.db2.gz ABFLTPNGRYTMOL-UHFFFAOYSA-N 1 0 394.273 2.264 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000485689547 650698976 /nfs/dbraw/zinc/69/89/76/650698976.db2.gz TVFHZPPAGXAXCQ-HZPDHXFCSA-N 1 0 398.301 2.315 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000485688837 650699029 /nfs/dbraw/zinc/69/90/29/650699029.db2.gz BHSBCYKAJPIVOJ-GXTWGEPZSA-N 1 0 390.274 2.073 20 0 GEADRO CN(Cc1nc2ccc(Br)cc2n1C)C1CC[NH+](CCO)CC1 ZINC000485811367 650700829 /nfs/dbraw/zinc/70/08/29/650700829.db2.gz LJZACDJNWTWHMR-UHFFFAOYSA-N 1 0 381.318 2.224 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000485875462 650701561 /nfs/dbraw/zinc/70/15/61/650701561.db2.gz ZDVZQFNMXYACMA-QWHCGFSZSA-N 1 0 384.307 2.476 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000529324223 650702726 /nfs/dbraw/zinc/70/27/26/650702726.db2.gz XRJODVRNERITLG-CABCVRRESA-N 1 0 386.265 2.327 20 0 GEADRO C[N@H+](CC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCSC1 ZINC000485945157 650703633 /nfs/dbraw/zinc/70/36/33/650703633.db2.gz NNQQHJURHQSLAV-NSHDSACASA-N 1 0 376.309 2.485 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000486209250 650709006 /nfs/dbraw/zinc/70/90/06/650709006.db2.gz DEIPIHBNBDECNT-ZWNOBZJWSA-N 1 0 378.274 2.048 20 0 GEADRO CC1CC[NH+](CCNC(=O)NCC(=O)Nc2cccc(Br)c2)CC1 ZINC000486242180 650709788 /nfs/dbraw/zinc/70/97/88/650709788.db2.gz FWHPNLNAWOBECV-UHFFFAOYSA-N 1 0 397.317 2.419 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncccc2I)C1 ZINC000486424327 650713298 /nfs/dbraw/zinc/71/32/98/650713298.db2.gz MVNUZGABKGGDNV-LBPRGKRZSA-N 1 0 375.254 2.455 20 0 GEADRO CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000486781106 650721557 /nfs/dbraw/zinc/72/15/57/650721557.db2.gz WOSCYJNQALDDOF-QGZVFWFLSA-N 1 0 375.579 2.063 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(F)c(Br)c3)[C@H]2C1 ZINC000486669564 650718380 /nfs/dbraw/zinc/71/83/80/650718380.db2.gz GMNJHHHNBFFUIP-HZMBPMFUSA-N 1 0 377.279 2.303 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(I)cc1 ZINC000530229287 650719085 /nfs/dbraw/zinc/71/90/85/650719085.db2.gz DXTCSPFFDKTKTP-AWEZNQCLSA-N 1 0 387.265 2.160 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239023 650719369 /nfs/dbraw/zinc/71/93/69/650719369.db2.gz CACKTOMXNPYCPX-SJORKVTESA-N 1 0 396.329 2.066 20 0 GEADRO O=C(CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1Br ZINC000530239718 650719447 /nfs/dbraw/zinc/71/94/47/650719447.db2.gz UEOMBZVAGAJZMI-OAHLLOKOSA-N 1 0 396.329 2.478 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000530375939 650724102 /nfs/dbraw/zinc/72/41/02/650724102.db2.gz XNSUKVKJMNLHFU-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000531003603 650732959 /nfs/dbraw/zinc/73/29/59/650732959.db2.gz ABPDMLJIPCWCKA-LLVKDONJSA-N 1 0 382.258 2.214 20 0 GEADRO CC[C@@H](C(=O)NCCNC(=O)c1cccc(Br)c1)[NH+](CC)CC ZINC000531048609 650733954 /nfs/dbraw/zinc/73/39/54/650733954.db2.gz CSEDZYYSYDMEKV-HNNXBMFYSA-N 1 0 384.318 2.416 20 0 GEADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000487541276 650735315 /nfs/dbraw/zinc/73/53/15/650735315.db2.gz UGMBMFNUBPDZCW-OAHLLOKOSA-N 1 0 384.318 2.462 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000487585103 650735882 /nfs/dbraw/zinc/73/58/82/650735882.db2.gz DNUOKMVEXMZELJ-BLLLJJGKSA-N 1 0 392.301 2.186 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1cccs1 ZINC000531190192 650735990 /nfs/dbraw/zinc/73/59/90/650735990.db2.gz ZDRHRTWTVHSBEN-LSDHHAIUSA-N 1 0 387.571 2.043 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000487850695 650738864 /nfs/dbraw/zinc/73/88/64/650738864.db2.gz AGWQJOJUSMXYII-GFCCVEGCSA-N 1 0 385.306 2.417 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(CS(C)(=O)=O)CC1)CC(C)C ZINC000488138391 650741552 /nfs/dbraw/zinc/74/15/52/650741552.db2.gz WZMYCINHTCNRTI-KRWDZBQOSA-N 1 0 375.579 2.209 20 0 GEADRO COc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1I ZINC000531655578 650741991 /nfs/dbraw/zinc/74/19/91/650741991.db2.gz HVYXDULEHPRKBP-LLVKDONJSA-N 1 0 388.249 2.371 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=S)NCCC[NH+](C)C ZINC000007373763 642338379 /nfs/dbraw/zinc/33/83/79/642338379.db2.gz DAYGPVCHZFFZIU-UHFFFAOYSA-N 1 0 387.347 2.112 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000531675622 650742588 /nfs/dbraw/zinc/74/25/88/650742588.db2.gz HNIPRVIFOKVNOI-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO CN(C)C(=O)C1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000016339651 642388904 /nfs/dbraw/zinc/38/89/04/642388904.db2.gz JKORXQYUDDWTRO-UHFFFAOYSA-N 1 0 396.329 2.208 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488625192 650749405 /nfs/dbraw/zinc/74/94/05/650749405.db2.gz OQKQLWCULKCSLS-CQSZACIVSA-N 1 0 376.270 2.261 20 0 GEADRO 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CC(C)[N@H+](C)CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000101953386 643119225 /nfs/dbraw/zinc/11/92/25/643119225.db2.gz AAWUFKDUDVMTCS-CYBMUJFWSA-N 1 0 382.302 2.258 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NCc1ccc(OC)c(Br)c1 ZINC000101983343 643120108 /nfs/dbraw/zinc/12/01/08/643120108.db2.gz LCSYEXUETJCNLB-UHFFFAOYSA-N 1 0 388.306 2.225 20 0 GEADRO CC[N@H+](CCNC(=O)NCc1cc2c(c(Br)c1)OCO2)C1CC1 ZINC000102000409 643120612 /nfs/dbraw/zinc/12/06/12/643120612.db2.gz DYXFJDAROUJWBF-UHFFFAOYSA-N 1 0 384.274 2.461 20 0 GEADRO CC[N@H+](CCNC(=O)NCC(=O)Nc1ccc(Br)cc1)C(C)C ZINC000102558194 643129216 /nfs/dbraw/zinc/12/92/16/643129216.db2.gz GAGDEMMDHSQCDG-UHFFFAOYSA-N 1 0 385.306 2.417 20 0 GEADRO CCOC(=O)CCCNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000102924218 643146073 /nfs/dbraw/zinc/14/60/73/643146073.db2.gz ITQCIMQLWMWXQH-UHFFFAOYSA-N 1 0 383.286 2.487 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)COc1ccc(I)cc1 ZINC000103120291 643153731 /nfs/dbraw/zinc/15/37/31/643153731.db2.gz SSARAJZGFVBPGE-UHFFFAOYSA-N 1 0 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CC(C)[C@H](CNC(=O)Cc1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000105318509 643202545 /nfs/dbraw/zinc/20/25/45/643202545.db2.gz HJGDDLSKXCZYPU-KRWDZBQOSA-N 1 0 382.346 2.380 20 0 GEADRO CC(C)C(=O)N1CCC([NH2+][C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000105400948 643205504 /nfs/dbraw/zinc/20/55/04/643205504.db2.gz IQCIDTGPTJZSSZ-HNNXBMFYSA-N 1 0 382.302 2.212 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000105570304 643210096 /nfs/dbraw/zinc/21/00/96/643210096.db2.gz JMTCXGGMWVEINR-ZDUSSCGKSA-N 1 0 393.289 2.128 20 0 GEADRO CCC[N@@H+](CC(=O)NC)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000106383561 643229442 /nfs/dbraw/zinc/22/94/42/643229442.db2.gz PZGQYUINYZNISD-LBPRGKRZSA-N 1 0 393.709 2.300 20 0 GEADRO COc1ccc(CCC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1Br ZINC000106402002 643230709 /nfs/dbraw/zinc/23/07/09/643230709.db2.gz YKOBRSWYZFPKMP-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCc2c1cccc2Br ZINC000106558170 643234184 /nfs/dbraw/zinc/23/41/84/643234184.db2.gz 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Cc1cc(NC(=O)CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000108569013 643276962 /nfs/dbraw/zinc/27/69/62/643276962.db2.gz SKVZECIMVYSTDN-ZDUSSCGKSA-N 1 0 397.317 2.337 20 0 GEADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCCS(C)(=O)=O)CC1 ZINC000108678253 643280603 /nfs/dbraw/zinc/28/06/03/643280603.db2.gz QBEXBJYZUYOUTK-UHFFFAOYSA-N 1 0 387.933 2.245 20 0 GEADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000108686943 643281047 /nfs/dbraw/zinc/28/10/47/643281047.db2.gz RZRANMHIGWIJPG-QGZVFWFLSA-N 1 0 388.599 2.021 20 0 GEADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000109840012 643302670 /nfs/dbraw/zinc/30/26/70/643302670.db2.gz GHADIBMMMRJUGR-VIFPVBQESA-N 1 0 383.258 2.442 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1Cl ZINC000110097624 643306197 /nfs/dbraw/zinc/30/61/97/643306197.db2.gz KBMASJWTVZCLPA-UHFFFAOYSA-N 1 0 394.896 2.373 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C(F)(F)F)n1 ZINC000110515355 643312702 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C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C[C@@H](C)O1 ZINC000117432493 643491740 /nfs/dbraw/zinc/49/17/40/643491740.db2.gz GSCPZSKQWFGYNP-IJLUTSLNSA-N 1 0 378.357 2.273 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[NH+](CC)CC ZINC000118094786 643504985 /nfs/dbraw/zinc/50/49/85/643504985.db2.gz CBGOGPNKPQRPCI-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000118129822 643506420 /nfs/dbraw/zinc/50/64/20/643506420.db2.gz PRGXMBFIVIHQKB-LLVKDONJSA-N 1 0 398.301 2.133 20 0 GEADRO CO[C@@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000118746985 643521010 /nfs/dbraw/zinc/52/10/10/643521010.db2.gz AXBNARFMUVSXBP-ZDUSSCGKSA-N 1 0 385.302 2.443 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCCc3cc(Br)ccc32)CC1=O ZINC000118879696 643525561 /nfs/dbraw/zinc/52/55/61/643525561.db2.gz QPCMYZWDMYTMQD-AWEZNQCLSA-N 1 0 394.313 2.138 20 0 GEADRO CSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1F ZINC000539623502 650846085 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2.325 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)NCCOc2ncc(Cl)cc2Cl)cn1 ZINC000119350313 643547784 /nfs/dbraw/zinc/54/77/84/643547784.db2.gz SJFLTJOEPBIDJT-UHFFFAOYSA-N 1 0 387.271 2.347 20 0 GEADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000119609091 643560827 /nfs/dbraw/zinc/56/08/27/643560827.db2.gz VQYAEKGLUMMPRE-UHFFFAOYSA-N 1 0 375.922 2.052 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000119700286 643566305 /nfs/dbraw/zinc/56/63/05/643566305.db2.gz YDMONCZFIHYKON-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000119689702 643566432 /nfs/dbraw/zinc/56/64/32/643566432.db2.gz FDFOTDYOTZQUIP-UHFFFAOYSA-N 1 0 380.432 2.173 20 0 GEADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000119712632 643567599 /nfs/dbraw/zinc/56/75/99/643567599.db2.gz BSOILVVLRZVESY-UHFFFAOYSA-N 1 0 382.507 2.022 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)nc2Br)[C@H](C)C1 ZINC000119866294 643575960 /nfs/dbraw/zinc/57/59/60/643575960.db2.gz VOFDOMNMRTZNSX-RISCZKNCSA-N 1 0 397.317 2.280 20 0 GEADRO CCCN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000119893565 643577865 /nfs/dbraw/zinc/57/78/65/643577865.db2.gz HBIBKOJOHMIEQJ-UHFFFAOYSA-N 1 0 392.363 2.399 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCN1CCOCC1 ZINC000119933073 643580531 /nfs/dbraw/zinc/58/05/31/643580531.db2.gz HYJAXRJAOVXSNQ-AWEZNQCLSA-N 1 0 384.318 2.478 20 0 GEADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000498190616 650850186 /nfs/dbraw/zinc/85/01/86/650850186.db2.gz DNXANPOGZQSYEK-XNJGSVPQSA-N 1 0 385.302 2.213 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)/C=C/c2cc(Br)ccc2F)CC1 ZINC000120442688 643607983 /nfs/dbraw/zinc/60/79/83/643607983.db2.gz NJJUURYQFFKDNG-ZZXKWVIFSA-N 1 0 384.293 2.355 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000120689590 643622745 /nfs/dbraw/zinc/62/27/45/643622745.db2.gz JRHZTLGMVZBJEZ-RISCZKNCSA-N 1 0 378.416 2.392 20 0 GEADRO CCn1cc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 ZINC000121649136 643637436 /nfs/dbraw/zinc/63/74/36/643637436.db2.gz GUWCYNAWXLJSEB-UHFFFAOYSA-N 1 0 377.388 2.365 20 0 GEADRO O=C(COc1ccccc1Br)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000121882369 643645166 /nfs/dbraw/zinc/64/51/66/643645166.db2.gz POAPAQCOSUTHFX-OAHLLOKOSA-N 1 0 397.313 2.399 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000121998898 643647294 /nfs/dbraw/zinc/64/72/94/643647294.db2.gz LWTNVTLTDHNNRW-AWEZNQCLSA-N 1 0 387.933 2.195 20 0 GEADRO CCOC(=O)[C@H]1CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000123538688 643672607 /nfs/dbraw/zinc/67/26/07/643672607.db2.gz HOGDPNRXOBVZHC-LBPRGKRZSA-N 1 0 394.269 2.392 20 0 GEADRO O=c1c(Br)nn(CN2CC[NH+](CC3CC3)CC2)c2ccccc12 ZINC000123804803 643677632 /nfs/dbraw/zinc/67/76/32/643677632.db2.gz VCCLOSDAJUJKJF-UHFFFAOYSA-N 1 0 377.286 2.144 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cn(C)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000124531195 643687150 /nfs/dbraw/zinc/68/71/50/643687150.db2.gz IXWVFDNKPLLTNF-ZFWWWQNUSA-N 1 0 382.917 2.405 20 0 GEADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000124972605 643696696 /nfs/dbraw/zinc/69/66/96/643696696.db2.gz ATBLXYWUIJNFIX-STQMWFEESA-N 1 0 387.571 2.001 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000124978174 643696996 /nfs/dbraw/zinc/69/69/96/643696996.db2.gz WLIYSNSXKHZFTD-WDEREUQCSA-N 1 0 375.288 2.200 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H]1C ZINC000498558007 650859480 /nfs/dbraw/zinc/85/94/80/650859480.db2.gz XRISCCUSNGKQEX-CHWSQXEVSA-N 1 0 382.302 2.120 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000498740327 650863816 /nfs/dbraw/zinc/86/38/16/650863816.db2.gz XNOVAFRMHNFVOM-UONOGXRCSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@H](CO)C1 ZINC000125894287 643715636 /nfs/dbraw/zinc/71/56/36/643715636.db2.gz AQPZTLQDKYCMDZ-NEPJUHHUSA-N 1 0 388.249 2.323 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)CC1 ZINC000540257386 650861510 /nfs/dbraw/zinc/86/15/10/650861510.db2.gz UAOGECFTIZXILV-KSSFIOAISA-N 1 0 398.345 2.279 20 0 GEADRO COC(=O)CNC(=O)CC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126395967 643731757 /nfs/dbraw/zinc/73/17/57/643731757.db2.gz QZVHMYPMQSGKIV-LBPRGKRZSA-N 1 0 375.252 2.126 20 0 GEADRO CS[C@H]1CN(c2cnn(Cc3ccccc3)c(=O)c2Cl)C[C@@H]1[NH+](C)C ZINC000540297889 650862548 /nfs/dbraw/zinc/86/25/48/650862548.db2.gz WLXOWHPFWSDARO-HOTGVXAUSA-N 1 0 378.929 2.427 20 0 GEADRO CN1CCO[C@@H]([C@H](NC(=O)CSc2nncs2)c2ccc(Cl)cc2)C1 ZINC000126728705 643744119 /nfs/dbraw/zinc/74/41/19/643744119.db2.gz PUMDLXHKNQQIHA-UKRRQHHQSA-N 1 0 398.941 2.472 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000498726870 650863261 /nfs/dbraw/zinc/86/32/61/650863261.db2.gz OLIOYMJVYSKILK-UONOGXRCSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000498729963 650863367 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CC[C@@H]([NH3+])C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000130158515 643831435 /nfs/dbraw/zinc/83/14/35/643831435.db2.gz LYWCPBKSUOFSBA-CYBMUJFWSA-N 1 0 388.249 2.398 20 0 GEADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000130771867 643850031 /nfs/dbraw/zinc/85/00/31/643850031.db2.gz MGKUXUVQFVFWJY-JOYOIKCWSA-N 1 0 390.228 2.300 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000132348036 643882038 /nfs/dbraw/zinc/88/20/38/643882038.db2.gz INMXBQUDFBREHO-RKDXNWHRSA-N 1 0 397.722 2.469 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccnc(Br)c2)CC1 ZINC000135222861 643911934 /nfs/dbraw/zinc/91/19/34/643911934.db2.gz XCRNGZWDXFRUJE-GASCZTMLSA-N 1 0 395.345 2.475 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000151322409 643937274 /nfs/dbraw/zinc/93/72/74/643937274.db2.gz FEDIYMJFMIZTIJ-UHFFFAOYSA-N 1 0 375.922 2.004 20 0 GEADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000151336580 643937921 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[NH2+]=C(NCCc1cccs1)NC[C@@H](O)COc1ccccc1Br ZINC000153203591 643980182 /nfs/dbraw/zinc/98/01/82/643980182.db2.gz YUXFSWWREIXNNJ-GFCCVEGCSA-N 1 0 398.326 2.397 20 0 GEADRO S=c1sc(N2CCOCC2)nn1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000153450187 643987123 /nfs/dbraw/zinc/98/71/23/643987123.db2.gz VQUCUXRGNJLNKL-HNNXBMFYSA-N 1 0 383.587 2.418 20 0 GEADRO OCC[N@H+](CCOCC(F)(F)F)C[C@H](O)c1ccccc1Br ZINC000153582774 643994956 /nfs/dbraw/zinc/99/49/56/643994956.db2.gz FDTFZDAJKJSFHE-ZDUSSCGKSA-N 1 0 386.208 2.356 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000153590747 643995888 /nfs/dbraw/zinc/99/58/88/643995888.db2.gz SVDJZFOSEILVLW-STQMWFEESA-N 1 0 397.317 2.267 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000153748160 644003475 /nfs/dbraw/zinc/00/34/75/644003475.db2.gz STFZHXZUIXXUGY-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO Cc1c(C(=O)NCC[NH2+]C(C)(C)C)nnn1-c1cccc(Br)c1 ZINC000153875027 644009324 /nfs/dbraw/zinc/00/93/24/644009324.db2.gz KZQSOLZPRCXXDZ-UHFFFAOYSA-N 1 0 380.290 2.456 20 0 GEADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000154119643 644018982 /nfs/dbraw/zinc/01/89/82/644018982.db2.gz WKRZHAKHIYOBKV-CABCVRRESA-N 1 0 387.571 2.042 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CSc1nncn1-c1cccc(Cl)c1)C1CC1 ZINC000154132379 644020156 /nfs/dbraw/zinc/02/01/56/644020156.db2.gz PHLYODKMBSFXBY-OAHLLOKOSA-N 1 0 379.917 2.469 20 0 GEADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000154196807 644025051 /nfs/dbraw/zinc/02/50/51/644025051.db2.gz DJNSMXZGXQXNHB-HNNXBMFYSA-N 1 0 395.301 2.260 20 0 GEADRO [NH3+]CC1(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CCCC1 ZINC000154336799 644036688 /nfs/dbraw/zinc/03/66/88/644036688.db2.gz CEIGMBGBOBXSOU-UHFFFAOYSA-N 1 0 385.917 2.126 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000154474941 644044968 /nfs/dbraw/zinc/04/49/68/644044968.db2.gz FDLFNZGISUJBKX-UHFFFAOYSA-N 1 0 383.290 2.019 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)o1)N1CC[NH+](C2CCCCC2)CC1 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1 0 394.313 2.386 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000156449689 644096996 /nfs/dbraw/zinc/09/69/96/644096996.db2.gz XRNJHLVADONSRM-UHFFFAOYSA-N 1 0 382.507 2.403 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000156615595 644107460 /nfs/dbraw/zinc/10/74/60/644107460.db2.gz UXHTWNARVQXINH-UHFFFAOYSA-N 1 0 392.301 2.336 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)[C@H]1C[NH3+] ZINC000156722058 644113781 /nfs/dbraw/zinc/11/37/81/644113781.db2.gz AUGSUKUBZOMNBW-RNCFNFMXSA-N 1 0 398.248 2.367 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000156734638 644115057 /nfs/dbraw/zinc/11/50/57/644115057.db2.gz GSYOZVKRDJDADB-LBPRGKRZSA-N 1 0 379.320 2.452 20 0 GEADRO O=C(NCCC[NH2+]Cc1cnc2cnccn12)c1ccc(Br)cc1 ZINC000156741681 644115116 /nfs/dbraw/zinc/11/51/16/644115116.db2.gz UXDOWAUSOSGAQR-UHFFFAOYSA-N 1 0 388.269 2.402 20 0 GEADRO OCC[N@@H+](Cc1cccnc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000156765818 644116405 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CC[NH+](CC)[C@H](C)CNC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000158593385 644150886 /nfs/dbraw/zinc/15/08/86/644150886.db2.gz UNHHLAGKITXIBG-CYBMUJFWSA-N 1 0 399.333 2.208 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000158623808 644152135 /nfs/dbraw/zinc/15/21/35/644152135.db2.gz NVYAATSCONDSMZ-NFAWXSAZSA-N 1 0 394.313 2.436 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158859117 644164100 /nfs/dbraw/zinc/16/41/00/644164100.db2.gz SRMYCKNMOIHRFT-ACJLOTCBSA-N 1 0 392.297 2.014 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1Cl ZINC000159017976 644172442 /nfs/dbraw/zinc/17/24/42/644172442.db2.gz IGQGOJAKGGODTI-UHFFFAOYSA-N 1 0 397.324 2.127 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000159059062 644174369 /nfs/dbraw/zinc/17/43/69/644174369.db2.gz BHZHLXDFQYPNID-ZDUSSCGKSA-N 1 0 397.317 2.419 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000159208995 644180883 /nfs/dbraw/zinc/18/08/83/644180883.db2.gz KMBNNGSMEWFHLO-UHFFFAOYSA-N 1 0 383.905 2.018 20 0 GEADRO C[NH+]1CCC(NC(=O)c2ccnc(Cl)c2I)CC1 ZINC000159297584 644185142 /nfs/dbraw/zinc/18/51/42/644185142.db2.gz UPIFBKDDAWWXBT-UHFFFAOYSA-N 1 0 379.629 2.164 20 0 GEADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(OC(F)F)cc1 ZINC000159992438 644197114 /nfs/dbraw/zinc/19/71/14/644197114.db2.gz RNGSUMRKKKWPBU-ZDUSSCGKSA-N 1 0 376.469 2.448 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000543103329 650899649 /nfs/dbraw/zinc/89/96/49/650899649.db2.gz NFNQIOXPFZEXPG-UHFFFAOYSA-N 1 0 389.949 2.427 20 0 GEADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C1CCCCC1 ZINC000543105844 650899709 /nfs/dbraw/zinc/89/97/09/650899709.db2.gz SKNRSDLMSADJKJ-INIZCTEOSA-N 1 0 387.933 2.228 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1F ZINC000543104219 650899755 /nfs/dbraw/zinc/89/97/55/650899755.db2.gz YLDBEMQUNOOLSW-NEPJUHHUSA-N 1 0 377.279 2.493 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)c1 ZINC000161533571 644211577 /nfs/dbraw/zinc/21/15/77/644211577.db2.gz WJFZYWZECNDZBS-UHFFFAOYSA-N 1 0 385.848 2.440 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000161671743 644214800 /nfs/dbraw/zinc/21/48/00/644214800.db2.gz BTIAKNFOMUWNGF-ZDUSSCGKSA-N 1 0 381.325 2.365 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000161687094 644215398 /nfs/dbraw/zinc/21/53/98/644215398.db2.gz QPKLDFRWBABVKQ-CQSZACIVSA-N 1 0 380.432 2.077 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000161702866 644216581 /nfs/dbraw/zinc/21/65/81/644216581.db2.gz XHPIIZHNKLUJBE-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000163091465 644247345 /nfs/dbraw/zinc/24/73/45/644247345.db2.gz KIGITVRQVHZSCF-SKDRFNHKSA-N 1 0 380.798 2.130 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1Br)C[NH+]1CCCC1 ZINC000163195990 644252187 /nfs/dbraw/zinc/25/21/87/644252187.db2.gz UHERLFRRXTZWGQ-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000163429615 644256160 /nfs/dbraw/zinc/25/61/60/644256160.db2.gz YFXZFGPFSDSTGB-CQSZACIVSA-N 1 0 384.318 2.095 20 0 GEADRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000543236026 650904603 /nfs/dbraw/zinc/90/46/03/650904603.db2.gz SNOCULZIRUFUOM-NSHDSACASA-N 1 0 376.272 2.235 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000164138006 644258981 /nfs/dbraw/zinc/25/89/81/644258981.db2.gz AJZVOUCYPOLREE-LBPRGKRZSA-N 1 0 388.295 2.467 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000543338273 650907179 /nfs/dbraw/zinc/90/71/79/650907179.db2.gz FTUTUKUGSRFJLM-CQSZACIVSA-N 1 0 399.329 2.475 20 0 GEADRO CO[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000170818192 644288757 /nfs/dbraw/zinc/28/87/57/644288757.db2.gz BBNBGXIRATXJPF-CQSZACIVSA-N 1 0 387.311 2.148 20 0 GEADRO C[NH+]1CCC(CCNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000170876054 644294400 /nfs/dbraw/zinc/29/44/00/644294400.db2.gz OCNZJTRMTRCWPB-UHFFFAOYSA-N 1 0 387.933 2.145 20 0 GEADRO C[NH+](C)CCOCCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000543388178 650909278 /nfs/dbraw/zinc/90/92/78/650909278.db2.gz RPSFOKUDJZFCQW-UHFFFAOYSA-N 1 0 399.264 2.082 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000171122340 644313068 /nfs/dbraw/zinc/31/30/68/644313068.db2.gz MLVMAWRJYKVNMQ-UHFFFAOYSA-N 1 0 399.285 2.409 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000171147468 644314067 /nfs/dbraw/zinc/31/40/67/644314067.db2.gz JSQNHTQDWKKKKR-CQSZACIVSA-N 1 0 377.312 2.122 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000171194737 644315863 /nfs/dbraw/zinc/31/58/63/644315863.db2.gz LGJDZSQMSWTAGV-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO NC(=O)c1ncc(Br)cc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000543398291 650910281 /nfs/dbraw/zinc/91/02/81/650910281.db2.gz MRWHCYBYJHDSDO-UHFFFAOYSA-N 1 0 389.297 2.308 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000173508882 644359204 /nfs/dbraw/zinc/35/92/04/644359204.db2.gz WIQJUVAZSYBXCG-CYBMUJFWSA-N 1 0 383.286 2.489 20 0 GEADRO CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[NH+]1CCCCCC1 ZINC000173682054 644359875 /nfs/dbraw/zinc/35/98/75/644359875.db2.gz IYPNCKHUFOWDLX-MRXNPFEDSA-N 1 0 375.579 2.400 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174652449 644378810 /nfs/dbraw/zinc/37/88/10/644378810.db2.gz VHLGYOIUQCYVGR-JTQLQIEISA-N 1 0 384.249 2.127 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000175174437 644386482 /nfs/dbraw/zinc/38/64/82/644386482.db2.gz XSYYAIQEZMFJQC-UHFFFAOYSA-N 1 0 383.297 2.400 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C(C)(C)C2)ccc1Cl ZINC000175438510 644390093 /nfs/dbraw/zinc/39/00/93/644390093.db2.gz BVEUESSNLAWWIM-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)NCc1cc(Br)c2c(c1)OCCO2 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CCN(C[C@@H](O)C(F)(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000190294485 645149538 /nfs/dbraw/zinc/14/95/38/645149538.db2.gz MYYJTRPKWFYQMK-CYBMUJFWSA-N 1 0 383.480 2.303 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCCNC(=[NH2+])N2CCCCC2)c1 ZINC000191159430 645170837 /nfs/dbraw/zinc/17/08/37/645170837.db2.gz OWIANBFDFLENNA-UHFFFAOYSA-N 1 0 397.317 2.378 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191199307 645171332 /nfs/dbraw/zinc/17/13/32/645171332.db2.gz WDDIEEXEOHJVSZ-UHFFFAOYSA-N 1 0 376.725 2.315 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(Br)c3F)C2)CC1 ZINC000192115566 645194877 /nfs/dbraw/zinc/19/48/77/645194877.db2.gz XTXLSCHVGWKUID-ZDUSSCGKSA-N 1 0 384.293 2.440 20 0 GEADRO COC(=O)C1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000192446008 645207125 /nfs/dbraw/zinc/20/71/25/645207125.db2.gz YRBQRMUXXJPODL-UHFFFAOYSA-N 1 0 380.919 2.001 20 0 GEADRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)N1 ZINC000192656652 645219150 /nfs/dbraw/zinc/21/91/50/645219150.db2.gz 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O=C(Nc1c(F)cccc1Br)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000267866307 645929333 /nfs/dbraw/zinc/92/93/33/645929333.db2.gz IUSWXTNWRVLQEX-GFCCVEGCSA-N 1 0 398.276 2.471 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1sc(C)cc1Br ZINC000267890996 645931488 /nfs/dbraw/zinc/93/14/88/645931488.db2.gz RWOZPTCUKHOYSH-NSHDSACASA-N 1 0 399.376 2.454 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccccc2SCCC(N)=O)CCSC1 ZINC000267923834 645935541 /nfs/dbraw/zinc/93/55/41/645935541.db2.gz DHBRIAQWSULEBE-QGZVFWFLSA-N 1 0 382.555 2.213 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c(F)cc1F ZINC000268191208 645951770 /nfs/dbraw/zinc/95/17/70/645951770.db2.gz DYDRCTAVLPOJMF-UHFFFAOYSA-N 1 0 376.469 2.395 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C(F)(F)F)n1 ZINC000268226676 645955698 /nfs/dbraw/zinc/95/56/98/645955698.db2.gz RLUBLZFNXURETJ-DDHOLCJHSA-N 1 0 377.432 2.190 20 0 GEADRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000268416038 645965534 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2.343 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000269185109 646020831 /nfs/dbraw/zinc/02/08/31/646020831.db2.gz DKRDZRFWUCANQM-CYBMUJFWSA-N 1 0 387.933 2.241 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000269872204 646071064 /nfs/dbraw/zinc/07/10/64/646071064.db2.gz UMBQMFNMFYMASN-UHFFFAOYSA-N 1 0 380.432 2.219 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000270159305 646089388 /nfs/dbraw/zinc/08/93/88/646089388.db2.gz JBMQOYNPKCDMQW-LBPRGKRZSA-N 1 0 378.897 2.192 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000270208447 646091911 /nfs/dbraw/zinc/09/19/11/646091911.db2.gz RQMAGOFFXBDISD-ZDUSSCGKSA-N 1 0 377.913 2.031 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3c(Cl)nc4ccccn43)C2)CC1 ZINC000270209700 646092019 /nfs/dbraw/zinc/09/20/19/646092019.db2.gz LAGRDGNOFJXGBK-AWEZNQCLSA-N 1 0 382.917 2.340 20 0 GEADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccc(Br)cn3)CC2)CC1 ZINC000270885013 646147685 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20 0 GEADRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271432385 646205681 /nfs/dbraw/zinc/20/56/81/646205681.db2.gz CEPAAZTVSIIMNQ-UBHSHLNASA-N 1 0 377.503 2.236 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000271438557 646206377 /nfs/dbraw/zinc/20/63/77/646206377.db2.gz CBQFYMGAXONIPY-OCCSQVGLSA-N 1 0 383.491 2.005 20 0 GEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000271440617 646206861 /nfs/dbraw/zinc/20/68/61/646206861.db2.gz CHJDUDHNKLZLSH-KBPBESRZSA-N 1 0 387.318 2.425 20 0 GEADRO Cc1nc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)sc1Br ZINC000271441477 646206869 /nfs/dbraw/zinc/20/68/69/646206869.db2.gz OINCQXSFIAEGHI-JTQLQIEISA-N 1 0 382.349 2.176 20 0 GEADRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000271462143 646209059 /nfs/dbraw/zinc/20/90/59/646209059.db2.gz HSZMYFWDRDQPQE-AAEUAGOBSA-N 1 0 375.441 2.137 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 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C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000279634691 646616609 /nfs/dbraw/zinc/61/66/09/646616609.db2.gz IMUXMMVHWMIUQS-NSHDSACASA-N 1 0 389.315 2.333 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000279755556 646624448 /nfs/dbraw/zinc/62/44/48/646624448.db2.gz ZFPQKGKZGLNZDN-UHFFFAOYSA-N 1 0 390.299 2.277 20 0 GEADRO CCOC1CC(O)(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000279968089 646640526 /nfs/dbraw/zinc/64/05/26/646640526.db2.gz CSJYUTHBARJXPX-SBTGLGLWSA-N 1 0 397.324 2.221 20 0 GEADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)s1 ZINC000280005706 646644452 /nfs/dbraw/zinc/64/44/52/646644452.db2.gz GIFYVWPOXIFWAX-LBPRGKRZSA-N 1 0 377.495 2.368 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000280024832 646645983 /nfs/dbraw/zinc/64/59/83/646645983.db2.gz UGOMEKTYJCDTCK-FZMZJTMJSA-N 1 0 385.306 2.005 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1Br ZINC000280259075 646664249 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GEADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ncccc3Br)CC2)CC1 ZINC000281076793 646743717 /nfs/dbraw/zinc/74/37/17/646743717.db2.gz DTTZMMATOXGEBX-UHFFFAOYSA-N 1 0 395.345 2.475 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281104971 646746583 /nfs/dbraw/zinc/74/65/83/646746583.db2.gz LHGRPRZSCBQXEH-FOGDFJRCSA-N 1 0 377.304 2.315 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281137989 646749414 /nfs/dbraw/zinc/74/94/14/646749414.db2.gz OCIBZTMQEZBCBH-OUJBWJOFSA-N 1 0 377.304 2.172 20 0 GEADRO C[NH+](C)CC1(NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CCC1 ZINC000281177253 646751403 /nfs/dbraw/zinc/75/14/03/646751403.db2.gz YKGZIHZFHHEOGO-UHFFFAOYSA-N 1 0 389.315 2.067 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ncccc3Br)CC2)CC1 ZINC000281386189 646766725 /nfs/dbraw/zinc/76/67/25/646766725.db2.gz YQHWNDLAKWNZGI-UHFFFAOYSA-N 1 0 395.345 2.475 20 0 GEADRO C[C@H](Oc1ccc(I)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000281484048 646773908 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647477917 /nfs/dbraw/zinc/47/79/17/647477917.db2.gz BYZWMHNKJUXDLP-VXGBXAGGSA-N 1 0 378.274 2.194 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000333680618 647478677 /nfs/dbraw/zinc/47/86/77/647478677.db2.gz ZPZJHONJZNYIMI-SUNYJGFJSA-N 1 0 380.330 2.471 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000333822710 647483814 /nfs/dbraw/zinc/48/38/14/647483814.db2.gz LCKCBAPOLMQDIO-IUODEOHRSA-N 1 0 386.265 2.423 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000360455868 647557482 /nfs/dbraw/zinc/55/74/82/647557482.db2.gz UKURNIUBJQQYEL-HONMWMINSA-N 1 0 394.324 2.261 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000360455206 647557487 /nfs/dbraw/zinc/55/74/87/647557487.db2.gz PTXVGELOVBFXBY-APHBMKBZSA-N 1 0 388.917 2.221 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000361783128 647563801 /nfs/dbraw/zinc/56/38/01/647563801.db2.gz 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20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1OC ZINC000416508910 648154035 /nfs/dbraw/zinc/15/40/35/648154035.db2.gz PQVKBDPAPCPRLP-UHFFFAOYSA-N 1 0 395.319 2.085 20 0 GEADRO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1I ZINC000416514131 648154862 /nfs/dbraw/zinc/15/48/62/648154862.db2.gz ZRLWUCGMGCSECC-UHFFFAOYSA-N 1 0 396.294 2.218 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000416533865 648163549 /nfs/dbraw/zinc/16/35/49/648163549.db2.gz HAVWFXHIVBZNDJ-AWEZNQCLSA-N 1 0 386.480 2.339 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Br)cc3[nH]cnc32)n1 ZINC000503482158 648188617 /nfs/dbraw/zinc/18/86/17/648188617.db2.gz JGHOCFZGQPBHCA-UHFFFAOYSA-N 1 0 377.246 2.336 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000416823603 648213071 /nfs/dbraw/zinc/21/30/71/648213071.db2.gz HHZGQGYAUXUIDO-WCQYABFASA-N 1 0 383.290 2.123 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000416823602 648213254 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O=C(NCCC[C@@H]1CCC[NH2+]1)NCCNC(=O)c1ccc(Br)cc1 ZINC000417203107 648231480 /nfs/dbraw/zinc/23/14/80/648231480.db2.gz CKMGJOBIDWIJTD-HNNXBMFYSA-N 1 0 397.317 2.010 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C1CCCC1 ZINC000417209917 648232540 /nfs/dbraw/zinc/23/25/40/648232540.db2.gz CRZNWCNSYHGCNP-CQSZACIVSA-N 1 0 380.290 2.414 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1cn2cc(Br)ccc2n1 ZINC000417217185 648233385 /nfs/dbraw/zinc/23/33/85/648233385.db2.gz JZIINYQHYAZFAF-ZDUSSCGKSA-N 1 0 380.290 2.428 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417360379 648239933 /nfs/dbraw/zinc/23/99/33/648239933.db2.gz AKFIDMCCTUWBSS-GXTWGEPZSA-N 1 0 397.317 2.383 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC1=CC[NH2+]CC1 ZINC000417366821 648241001 /nfs/dbraw/zinc/24/10/01/648241001.db2.gz LHXKFJOALFEBMV-UHFFFAOYSA-N 1 0 395.301 2.305 20 0 GEADRO COc1cc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cc(Br)c1OC ZINC000417373912 648241903 /nfs/dbraw/zinc/24/19/03/648241903.db2.gz JPQRYLGQULZYCD-JTQLQIEISA-N 1 0 396.232 2.248 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2sccc2Br)CC12CCOCC2 ZINC000417398122 648242816 /nfs/dbraw/zinc/24/28/16/648242816.db2.gz HHJMFHJRAUFZQP-LLVKDONJSA-N 1 0 388.331 2.408 20 0 GEADRO O=C(NCCC[NH+]1CCCCCC1)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000417419536 648243827 /nfs/dbraw/zinc/24/38/27/648243827.db2.gz DDKGVSONEYPFKV-UHFFFAOYSA-N 1 0 386.543 2.002 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)C(C)(C)C ZINC000417426674 648244468 /nfs/dbraw/zinc/24/44/68/648244468.db2.gz HCMLIPUCQPDHIM-ZDUSSCGKSA-N 1 0 388.559 2.102 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)NCCc1ccc(I)s1 ZINC000417438599 648245819 /nfs/dbraw/zinc/24/58/19/648245819.db2.gz JVCWTYGKELVINL-SECBINFHSA-N 1 0 381.283 2.050 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417438984 648246013 /nfs/dbraw/zinc/24/60/13/648246013.db2.gz UXVWSFSZZLANSV-HNNXBMFYSA-N 1 0 399.333 2.386 20 0 GEADRO [NH3+]CC1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000417478632 648248174 /nfs/dbraw/zinc/24/81/74/648248174.db2.gz IVAYHHAROLHJQE-OAHLLOKOSA-N 1 0 381.318 2.408 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417480693 648248667 /nfs/dbraw/zinc/24/86/67/648248667.db2.gz GWDXEEJESFUGGB-CYBMUJFWSA-N 1 0 383.290 2.219 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417483664 648249373 /nfs/dbraw/zinc/24/93/73/648249373.db2.gz JRTWLSSWQXVKES-GFCCVEGCSA-N 1 0 383.290 2.076 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417486023 648249781 /nfs/dbraw/zinc/24/97/81/648249781.db2.gz XQSNPBZABYOXAF-GUTXKFCHSA-N 1 0 381.318 2.407 20 0 GEADRO CC1(NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000417485662 648249984 /nfs/dbraw/zinc/24/99/84/648249984.db2.gz WVZBAEPUFPYODP-CQSZACIVSA-N 1 0 381.318 2.469 20 0 GEADRO CCC[NH2+]CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000417489959 648249988 /nfs/dbraw/zinc/24/99/88/648249988.db2.gz QYJVWHSBZJGALI-UHFFFAOYSA-N 1 0 385.306 2.385 20 0 GEADRO CC[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc(C)cs1 ZINC000417517413 648251089 /nfs/dbraw/zinc/25/10/89/648251089.db2.gz IXCOWHHSNOZRCS-VXGBXAGGSA-N 1 0 379.452 2.038 20 0 GEADRO CC[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc(C)cs1 ZINC000417517409 648251193 /nfs/dbraw/zinc/25/11/93/648251193.db2.gz IXCOWHHSNOZRCS-NEPJUHHUSA-N 1 0 379.452 2.038 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417591606 648254602 /nfs/dbraw/zinc/25/46/02/648254602.db2.gz XFBUTKOHPHAMMA-CYBMUJFWSA-N 1 0 399.333 2.224 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C[NH2+]1 ZINC000417601781 648255637 /nfs/dbraw/zinc/25/56/37/648255637.db2.gz MQVPTHMBHDWEOD-RDBSUJKOSA-N 1 0 381.318 2.420 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[NH2+]1 ZINC000417719254 648258914 /nfs/dbraw/zinc/25/89/14/648258914.db2.gz COBQGVRYPCQUKN-GXFFZTMASA-N 1 0 393.289 2.174 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417721101 648258986 /nfs/dbraw/zinc/25/89/86/648258986.db2.gz FKPNYKPFDSGAAU-MFKMUULPSA-N 1 0 393.289 2.031 20 0 GEADRO [NH3+]CC1CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000417729681 648259784 /nfs/dbraw/zinc/25/97/84/648259784.db2.gz NIWNOMIDHFKMKK-UHFFFAOYSA-N 1 0 393.289 2.115 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417735689 648260419 /nfs/dbraw/zinc/26/04/19/648260419.db2.gz SKBBEDNJUVKJSC-OLZOCXBDSA-N 1 0 393.289 2.303 20 0 GEADRO C[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Cc1cccs1 ZINC000417758491 648261465 /nfs/dbraw/zinc/26/14/65/648261465.db2.gz VBTBLSHKRNZKRN-OCCSQVGLSA-N 1 0 378.464 2.062 20 0 GEADRO CN(Cc1ccc(F)cc1I)C1CC[NH+](CCO)CC1 ZINC000417771948 648261483 /nfs/dbraw/zinc/26/14/83/648261483.db2.gz IWWYHPHDYQKNRG-UHFFFAOYSA-N 1 0 392.256 2.319 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417870525 648263548 /nfs/dbraw/zinc/26/35/48/648263548.db2.gz IKNYXBKYXKJUNG-MWLCHTKSSA-N 1 0 379.814 2.227 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417867701 648263589 /nfs/dbraw/zinc/26/35/89/648263589.db2.gz FPNYCWFHECGFTP-KOLCDFICSA-N 1 0 379.814 2.321 20 0 GEADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)NC[C@H]1C[NH2+]CCO1 ZINC000417873050 648263909 /nfs/dbraw/zinc/26/39/09/648263909.db2.gz KFJIRRWLFBIBQD-SNVBAGLBSA-N 1 0 384.210 2.382 20 0 GEADRO C[C@@H](NC(=O)N1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417894762 648265182 /nfs/dbraw/zinc/26/51/82/648265182.db2.gz NWGHLESTSUYYDW-SNVBAGLBSA-N 1 0 380.246 2.175 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417937855 648266473 /nfs/dbraw/zinc/26/64/73/648266473.db2.gz HYHSCHKNPPFESC-FZMZJTMJSA-N 1 0 388.281 2.278 20 0 GEADRO OCC[C@@]1(C[NH2+]Cc2ccc(F)cc2I)CCOC1 ZINC000417933650 648266567 /nfs/dbraw/zinc/26/65/67/648266567.db2.gz NNJGCFSPZKOLIN-AWEZNQCLSA-N 1 0 379.213 2.309 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)NCC(F)(F)CN)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952937 648267352 /nfs/dbraw/zinc/26/73/52/648267352.db2.gz OWFYDLXISIRUMJ-RISCZKNCSA-N 1 0 378.826 2.365 20 0 GEADRO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000418002271 648268726 /nfs/dbraw/zinc/26/87/26/648268726.db2.gz LZEOEPFESAHUPK-GFCCVEGCSA-N 1 0 375.300 2.107 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)N[C@@H](C)CCC[NH3+])C2=O)ccc1Br ZINC000418006322 648269016 /nfs/dbraw/zinc/26/90/16/648269016.db2.gz DYQSHUKFKJOAEH-WFASDCNBSA-N 1 0 397.317 2.289 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418012955 648269541 /nfs/dbraw/zinc/26/95/41/648269541.db2.gz WGVCVLMNUQIQBA-YGRLFVJLSA-N 1 0 376.810 2.354 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](C[NH3+])C[C@H]3C)nc12 ZINC000418025312 648271694 /nfs/dbraw/zinc/27/16/94/648271694.db2.gz UXZKJQYJPNMURC-OLZOCXBDSA-N 1 0 394.317 2.326 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CCO1 ZINC000418047211 648273296 /nfs/dbraw/zinc/27/32/96/648273296.db2.gz QBEMMASRKPRAKB-CABCVRRESA-N 1 0 386.265 2.408 20 0 GEADRO CCn1cncc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418047342 648273750 /nfs/dbraw/zinc/27/37/50/648273750.db2.gz IVEXJCSYXLVLGK-UHFFFAOYSA-N 1 0 377.297 2.278 20 0 GEADRO CCn1c(CNC(=O)N2CC[C@H](C[NH3+])C2)nc2cc(Br)ccc21 ZINC000418063709 648274200 /nfs/dbraw/zinc/27/42/00/648274200.db2.gz IHGXNHHTEBTLNX-LLVKDONJSA-N 1 0 380.290 2.309 20 0 GEADRO [NH3+]CCN(CCO)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000418058532 648274216 /nfs/dbraw/zinc/27/42/16/648274216.db2.gz PZXHHKREXGJXOQ-UHFFFAOYSA-N 1 0 379.810 2.353 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N(CCC[NH3+])Cc2ccccc2)s1 ZINC000418064384 648274499 /nfs/dbraw/zinc/27/44/99/648274499.db2.gz IDLKIWPJQTXENM-UHFFFAOYSA-N 1 0 381.523 2.212 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000418072231 648275088 /nfs/dbraw/zinc/27/50/88/648275088.db2.gz KKNJQKXYTMYNQO-QGZVFWFLSA-N 1 0 385.917 2.029 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000418071117 648275121 /nfs/dbraw/zinc/27/51/21/648275121.db2.gz IIZKMLTTWDGJNR-GUTXKFCHSA-N 1 0 385.917 2.012 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)[C@@H](C)C[NH2+]1 ZINC000418079623 648276030 /nfs/dbraw/zinc/27/60/30/648276030.db2.gz LGDABNDAOQMDNH-SUNKGSAMSA-N 1 0 385.295 2.491 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C(F)F ZINC000418084578 648276877 /nfs/dbraw/zinc/27/68/77/648276877.db2.gz VUHFNZQPAAODKM-QWRGUYRKSA-N 1 0 395.237 2.380 20 0 GEADRO C[C@H]1CN(C(=O)NCc2ccc(Cl)cc2I)CC[NH2+]1 ZINC000418088370 648277849 /nfs/dbraw/zinc/27/78/49/648277849.db2.gz KFPKNPMWNBAKOB-VIFPVBQESA-N 1 0 393.656 2.448 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000418098597 648279691 /nfs/dbraw/zinc/27/96/91/648279691.db2.gz AZDPURYHQDGQGF-HDJSIYSDSA-N 1 0 386.338 2.490 20 0 GEADRO CCn1nncc1C[NH2+]C[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000418118792 648282571 /nfs/dbraw/zinc/28/25/71/648282571.db2.gz UDFBQKWUGWULPL-CYBMUJFWSA-N 1 0 383.290 2.010 20 0 GEADRO Cc1cc(CNC(=O)N2CCC(C[NH3+])CC2)ccc1I ZINC000418142288 648284543 /nfs/dbraw/zinc/28/45/43/648284543.db2.gz MQXSFQJMFKUNKO-UHFFFAOYSA-N 1 0 387.265 2.480 20 0 GEADRO Cc1cc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)ccc1I ZINC000418142220 648284627 /nfs/dbraw/zinc/28/46/27/648284627.db2.gz MIZDHFKWEBZFFX-CYBMUJFWSA-N 1 0 387.265 2.398 20 0 GEADRO Cc1cc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)ccc1I ZINC000418140665 648284672 /nfs/dbraw/zinc/28/46/72/648284672.db2.gz JXVGHBLVEOYSOH-RISCZKNCSA-N 1 0 387.265 2.397 20 0 GEADRO O=C(NCc1ccc(I)c(Cl)c1)NC[C@H]1CCC[NH2+]1 ZINC000418154523 648285569 /nfs/dbraw/zinc/28/55/69/648285569.db2.gz JYUXNIRNRARRIH-SNVBAGLBSA-N 1 0 393.656 2.496 20 0 GEADRO C[C@H]1CN(C(=O)NCc2ccc(I)c(Cl)c2)CC[NH2+]1 ZINC000418160088 648285938 /nfs/dbraw/zinc/28/59/38/648285938.db2.gz PBGVADLOEAMHHS-VIFPVBQESA-N 1 0 393.656 2.448 20 0 GEADRO CO[C@@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)[C@H](C[NH3+])C1 ZINC000418174556 648286813 /nfs/dbraw/zinc/28/68/13/648286813.db2.gz DLIGEIIXYGGWLH-WDEREUQCSA-N 1 0 392.244 2.375 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418225884 648288014 /nfs/dbraw/zinc/28/80/14/648288014.db2.gz AAYPFIBTZZXUDH-BBRMVZONSA-N 1 0 387.933 2.321 20 0 GEADRO [NH3+][C@@H](CNC(=O)NCc1c(Br)cncc1Br)C1CC1 ZINC000418231958 648289120 /nfs/dbraw/zinc/28/91/20/648289120.db2.gz CUYDMQYZSNGTEK-NSHDSACASA-N 1 0 392.095 2.143 20 0 GEADRO O=C(NCc1c(Br)cncc1Br)NC1CC[NH2+]CC1 ZINC000418241393 648289810 /nfs/dbraw/zinc/28/98/10/648289810.db2.gz SSIDUSLACLQTQK-UHFFFAOYSA-N 1 0 392.095 2.158 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418273664 648290691 /nfs/dbraw/zinc/29/06/91/648290691.db2.gz XJKCWEUMTUELFI-JTQLQIEISA-N 1 0 388.216 2.122 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NCCN1CC[NH2+]CC1 ZINC000418304475 648292108 /nfs/dbraw/zinc/29/21/08/648292108.db2.gz YKPPELCUUHWMET-UHFFFAOYSA-N 1 0 389.725 2.149 20 0 GEADRO O=C(NC1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418303638 648292293 /nfs/dbraw/zinc/29/22/93/648292293.db2.gz DKQPBAMRIDRCMF-UHFFFAOYSA-N 1 0 399.308 2.167 20 0 GEADRO [NH3+]CCCNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418312656 648292602 /nfs/dbraw/zinc/29/26/02/648292602.db2.gz PEYDXOUBSWEYKI-UHFFFAOYSA-N 1 0 383.290 2.158 20 0 GEADRO C[C@@H](NC(=O)N(CCO)Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418335777 648293304 /nfs/dbraw/zinc/29/33/04/648293304.db2.gz HRCAFPKBLAXNTQ-HIFRSBDPSA-N 1 0 384.318 2.341 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)N(CCO)Cc1cc(Br)ccc1F ZINC000418348656 648294190 /nfs/dbraw/zinc/29/41/90/648294190.db2.gz WYQVGYOHKRQZFO-LBPRGKRZSA-N 1 0 388.281 2.092 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418360109 648294424 /nfs/dbraw/zinc/29/44/24/648294424.db2.gz FOOCDNICKMLKPC-MRXNPFEDSA-N 1 0 381.318 2.028 20 0 GEADRO [NH3+]C1CCC(NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000418377982 648295354 /nfs/dbraw/zinc/29/53/54/648295354.db2.gz BZTDACCBEJTJAD-JEYLPNPQSA-N 1 0 384.318 2.169 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000418391071 648296092 /nfs/dbraw/zinc/29/60/92/648296092.db2.gz PIPDMSXIZKKDNM-SWLSCSKDSA-N 1 0 386.334 2.063 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418403660 648296630 /nfs/dbraw/zinc/29/66/30/648296630.db2.gz JNBYEURWYNJMNB-ZDUSSCGKSA-N 1 0 389.363 2.321 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC1CCC([NH3+])CC1 ZINC000418409723 648296927 /nfs/dbraw/zinc/29/69/27/648296927.db2.gz VRMALLUJAHMANA-IUDNXUCKSA-N 1 0 398.345 2.478 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000418405964 648297077 /nfs/dbraw/zinc/29/70/77/648297077.db2.gz LLSSKLGIMCMSNU-CQSZACIVSA-N 1 0 387.311 2.444 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000418478546 648297451 /nfs/dbraw/zinc/29/74/51/648297451.db2.gz ZIOKTDXIRFRCBT-CABCVRRESA-N 1 0 397.317 2.149 20 0 GEADRO CCC[NH2+]CCNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C ZINC000418485867 648297922 /nfs/dbraw/zinc/29/79/22/648297922.db2.gz DWWKTOBEUPJWOP-AWEZNQCLSA-N 1 0 386.334 2.207 20 0 GEADRO [NH3+][C@H](CNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)C1CC1 ZINC000418496950 648298334 /nfs/dbraw/zinc/29/83/34/648298334.db2.gz IYQFPDPXXMLQEY-MRXNPFEDSA-N 1 0 399.308 2.153 20 0 GEADRO [NH3+][C@H](CNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000418500172 648298626 /nfs/dbraw/zinc/29/86/26/648298626.db2.gz PEWUYFSQHNIEBV-CABCVRRESA-N 1 0 386.265 2.408 20 0 GEADRO C[C@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418509640 648299052 /nfs/dbraw/zinc/29/90/52/648299052.db2.gz GMOHAROLFVKTDF-LLVKDONJSA-N 1 0 383.290 2.156 20 0 GEADRO C[C@@]1(CNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CCC[NH2+]C1 ZINC000418538580 648300925 /nfs/dbraw/zinc/30/09/25/648300925.db2.gz LDUHMPLWBONWSU-GOEBONIOSA-N 1 0 388.281 2.311 20 0 GEADRO C[C@]1(CNC(=O)N(CCO)Cc2cccc(Br)c2)CCC[NH2+]C1 ZINC000418547202 648301303 /nfs/dbraw/zinc/30/13/03/648301303.db2.gz RBISQNHOTFMQOE-KRWDZBQOSA-N 1 0 384.318 2.343 20 0 GEADRO C[C@]1(CNC(=O)N(CCO)Cc2ccc(Br)s2)CCC[NH2+]C1 ZINC000418554191 648301312 /nfs/dbraw/zinc/30/13/12/648301312.db2.gz VISFJNJSVROVGK-HNNXBMFYSA-N 1 0 390.347 2.404 20 0 GEADRO C[C@@]1(CNC(=O)N(CCO)Cc2ccc(Br)s2)CCC[NH2+]C1 ZINC000418554194 648301483 /nfs/dbraw/zinc/30/14/83/648301483.db2.gz VISFJNJSVROVGK-OAHLLOKOSA-N 1 0 390.347 2.404 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418556370 648301814 /nfs/dbraw/zinc/30/18/14/648301814.db2.gz FJXLFNSKZCEGFZ-CJNGLKHVSA-N 1 0 381.318 2.279 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418575291 648302357 /nfs/dbraw/zinc/30/23/57/648302357.db2.gz NAXHBXPKBQHDDJ-ZYHUDNBSSA-N 1 0 376.320 2.013 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418578516 648302781 /nfs/dbraw/zinc/30/27/81/648302781.db2.gz QAILFAPDNYYKAC-NTZNESFSSA-N 1 0 376.284 2.030 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418578890 648302805 /nfs/dbraw/zinc/30/28/05/648302805.db2.gz QQHXDIWDHMYGFO-ZWNOBZJWSA-N 1 0 376.320 2.013 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)CC[NH2+]1 ZINC000418593220 648303574 /nfs/dbraw/zinc/30/35/74/648303574.db2.gz DQHNSKQAPCGAHI-UMVBOHGHSA-N 1 0 384.318 2.040 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000418594854 648304126 /nfs/dbraw/zinc/30/41/26/648304126.db2.gz FXOSKIAOBANIEE-UTUOFQBUSA-N 1 0 376.284 2.173 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418614956 648305309 /nfs/dbraw/zinc/30/53/09/648305309.db2.gz XQWXKHZQPWHANT-XPKDYRNWSA-N 1 0 384.318 2.040 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418623504 648305554 /nfs/dbraw/zinc/30/55/54/648305554.db2.gz WYVAZVVKXTVZLS-WRWORJQWSA-N 1 0 384.196 2.148 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000418633251 648306065 /nfs/dbraw/zinc/30/60/65/648306065.db2.gz CXAANVRLNZWXQL-CQSZACIVSA-N 1 0 397.317 2.465 20 0 GEADRO COC[C@]1(CNC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000418653981 648306496 /nfs/dbraw/zinc/30/64/96/648306496.db2.gz LPMUBTKNOWJSPC-XJKSGUPXSA-N 1 0 376.284 2.095 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000418674658 648306863 /nfs/dbraw/zinc/30/68/63/648306863.db2.gz PQKVNYBFWOIGBR-SWLSCSKDSA-N 1 0 397.317 2.149 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418685726 648307248 /nfs/dbraw/zinc/30/72/48/648307248.db2.gz DRKYIKGJXQWHRK-VXGBXAGGSA-N 1 0 390.297 2.166 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000418692170 648307289 /nfs/dbraw/zinc/30/72/89/648307289.db2.gz ROWYIEPVRGHVEW-CYBMUJFWSA-N 1 0 397.317 2.044 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418704624 648307626 /nfs/dbraw/zinc/30/76/26/648307626.db2.gz NFVDNIOLJUYIJA-GFCCVEGCSA-N 1 0 389.363 2.465 20 0 GEADRO [NH3+][C@H]1CCC[C@H](CNC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000418717473 648307989 /nfs/dbraw/zinc/30/79/89/648307989.db2.gz JRVZCDSMSSZAIH-BBRMVZONSA-N 1 0 384.318 2.471 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418715086 648308008 /nfs/dbraw/zinc/30/80/08/648308008.db2.gz YGUWHLGNBRDGLX-HIFRSBDPSA-N 1 0 386.334 2.417 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418754300 648309622 /nfs/dbraw/zinc/30/96/22/648309622.db2.gz DSERHTXMIWRGTQ-ZDUSSCGKSA-N 1 0 389.725 2.148 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1)C1CC1 ZINC000418754777 648309692 /nfs/dbraw/zinc/30/96/92/648309692.db2.gz CBAUHXNPQHXBOF-GDBMZVCRSA-N 1 0 377.897 2.461 20 0 GEADRO Cc1cc(CC(C)(C)NC(=O)NC[C@@H]2C[NH2+]CCO2)ccc1Br ZINC000418766550 648310377 /nfs/dbraw/zinc/31/03/77/648310377.db2.gz NBZYYDGGDZSEKZ-AWEZNQCLSA-N 1 0 384.318 2.366 20 0 GEADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418765214 648310393 /nfs/dbraw/zinc/31/03/93/648310393.db2.gz PEKSSNJVABNYPC-WBMJQRKESA-N 1 0 377.897 2.333 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418766080 648310463 /nfs/dbraw/zinc/31/04/63/648310463.db2.gz MJWVNUFPXNMQOR-RYUDHWBXSA-N 1 0 385.306 2.428 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418771425 648311162 /nfs/dbraw/zinc/31/11/62/648311162.db2.gz VTVLTFIGOWJFTH-LSDHHAIUSA-N 1 0 395.345 2.199 20 0 GEADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418768807 648311347 /nfs/dbraw/zinc/31/13/47/648311347.db2.gz SPSUEPYJQKHINY-INIZCTEOSA-N 1 0 395.345 2.026 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418771424 648311398 /nfs/dbraw/zinc/31/13/98/648311398.db2.gz VTVLTFIGOWJFTH-HUUCEWRRSA-N 1 0 395.345 2.199 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000418770826 648311444 /nfs/dbraw/zinc/31/14/44/648311444.db2.gz VCLQFFJUWLDWMQ-KRWDZBQOSA-N 1 0 395.345 2.242 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000418773130 648311743 /nfs/dbraw/zinc/31/17/43/648311743.db2.gz XMGZZYHJUBNMTB-JKSUJKDBSA-N 1 0 381.318 2.199 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418775016 648311766 /nfs/dbraw/zinc/31/17/66/648311766.db2.gz RVOCEDUHXNBFHF-DOTOQJQBSA-N 1 0 398.345 2.432 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418773502 648311848 /nfs/dbraw/zinc/31/18/48/648311848.db2.gz VJGWLVBXUGYSSA-ZDUSSCGKSA-N 1 0 392.244 2.467 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N(CCO)Cc1ccc(Br)s1 ZINC000418775380 648312192 /nfs/dbraw/zinc/31/21/92/648312192.db2.gz WKWLEYLGWFEQOY-SNVBAGLBSA-N 1 0 398.273 2.012 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000418781078 648312593 /nfs/dbraw/zinc/31/25/93/648312593.db2.gz CQNJXLICGLFMLW-QWRGUYRKSA-N 1 0 376.320 2.142 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418787485 648312713 /nfs/dbraw/zinc/31/27/13/648312713.db2.gz JXUCXQDPJJLHPZ-DZKIICNBSA-N 1 0 398.345 2.335 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC000418797339 648312933 /nfs/dbraw/zinc/31/29/33/648312933.db2.gz UVDJBOQDWDTWRX-YCPHGPKFSA-N 1 0 384.318 2.027 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000418811623 648313517 /nfs/dbraw/zinc/31/35/17/648313517.db2.gz ANTKLWZVKUHSCJ-FJXFWJLJSA-N 1 0 384.307 2.470 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418822647 648314378 /nfs/dbraw/zinc/31/43/78/648314378.db2.gz WZQQDGDHJWBFJI-RSUWNVLCSA-N 1 0 382.291 2.033 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)C1CCCC1 ZINC000418827348 648314971 /nfs/dbraw/zinc/31/49/71/648314971.db2.gz GTAZCEYTIJDUHR-ARFHVFGLSA-N 1 0 394.313 2.055 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000418839997 648316151 /nfs/dbraw/zinc/31/61/51/648316151.db2.gz XGUZIVGUPADNKR-RUAUBTSSSA-N 1 0 394.313 2.007 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000418843370 648316548 /nfs/dbraw/zinc/31/65/48/648316548.db2.gz JUHHTUCMWIJFNI-STQMWFEESA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000418844068 648316648 /nfs/dbraw/zinc/31/66/48/648316648.db2.gz LFAIQZQWZLSXOU-ZENOOKHLSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418849361 648317472 /nfs/dbraw/zinc/31/74/72/648317472.db2.gz MQPAWIHHEODFHW-UINNMSKDSA-N 1 0 376.259 2.424 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000418855432 648318148 /nfs/dbraw/zinc/31/81/48/648318148.db2.gz DHGMAFWDHRDSQQ-CYBMUJFWSA-N 1 0 396.329 2.474 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC000418856995 648318565 /nfs/dbraw/zinc/31/85/65/648318565.db2.gz QURFAIWHDZNZIO-CQSZACIVSA-N 1 0 386.323 2.260 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000418867917 648319929 /nfs/dbraw/zinc/31/99/29/648319929.db2.gz PZPCOWWSPDXZBB-JMGFVUJMSA-N 1 0 394.313 2.212 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000418872972 648320310 /nfs/dbraw/zinc/32/03/10/648320310.db2.gz XNIJUQBQHVRSGJ-DOMZBBRYSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000418872804 648320385 /nfs/dbraw/zinc/32/03/85/648320385.db2.gz WZCLZVFELWBKEH-ZOWXZIJZSA-N 1 0 382.302 2.355 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418942017 648323289 /nfs/dbraw/zinc/32/32/89/648323289.db2.gz LHUJWADWSFOVHZ-LRDDRELGSA-N 1 0 394.313 2.140 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418951706 648324872 /nfs/dbraw/zinc/32/48/72/648324872.db2.gz UVVUKUNNURXINL-ABAIWWIYSA-N 1 0 382.302 2.260 20 0 GEADRO Cc1sc([C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000418977674 648326399 /nfs/dbraw/zinc/32/63/99/648326399.db2.gz WENJAYCMLIDQJT-VHSXEESVSA-N 1 0 380.901 2.413 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1Br ZINC000418981782 648326480 /nfs/dbraw/zinc/32/64/80/648326480.db2.gz AGWQCMLFZRFYCO-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419016543 648327665 /nfs/dbraw/zinc/32/76/65/648327665.db2.gz DRTCJACUSICFDF-ZENOOKHLSA-N 1 0 396.329 2.082 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419024117 648328261 /nfs/dbraw/zinc/32/82/61/648328261.db2.gz QCJCVOMTGHPCOG-XJKSGUPXSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419029600 648328627 /nfs/dbraw/zinc/32/86/27/648328627.db2.gz YPEJOYAELLZLKL-INWMFGNUSA-N 1 0 396.329 2.130 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCC1 ZINC000419035998 648329004 /nfs/dbraw/zinc/32/90/04/648329004.db2.gz FZLOMEMMYZNUHH-UHFFFAOYSA-N 1 0 394.686 2.139 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000419037130 648329016 /nfs/dbraw/zinc/32/90/16/648329016.db2.gz CPOYMTZBHIWAOJ-VIFPVBQESA-N 1 0 378.420 2.117 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419034164 648329142 /nfs/dbraw/zinc/32/91/42/648329142.db2.gz CZUWUAMPINBKGM-BXUZGUMPSA-N 1 0 398.301 2.023 20 0 GEADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419041080 648329486 /nfs/dbraw/zinc/32/94/86/648329486.db2.gz NEEAXCNOJZJXEE-JTQLQIEISA-N 1 0 394.686 2.010 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000419045548 648329816 /nfs/dbraw/zinc/32/98/16/648329816.db2.gz SPVIBRMTERVORA-KXUCPTDWSA-N 1 0 378.420 2.067 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000419063240 648332186 /nfs/dbraw/zinc/33/21/86/648332186.db2.gz GNEKBCQMLKFHNS-WFASDCNBSA-N 1 0 382.302 2.007 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000419067054 648332214 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O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419128679 648335935 /nfs/dbraw/zinc/33/59/35/648335935.db2.gz WYRVDYFRGNOQCU-WBMJQRKESA-N 1 0 377.897 2.333 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419133946 648336766 /nfs/dbraw/zinc/33/67/66/648336766.db2.gz JHEJXZWTVLEPEQ-QGZVFWFLSA-N 1 0 388.295 2.076 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 ZINC000419156605 648337996 /nfs/dbraw/zinc/33/79/96/648337996.db2.gz TUNOXMCOCNORBT-GFCCVEGCSA-N 1 0 384.307 2.339 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000419159478 648338400 /nfs/dbraw/zinc/33/84/00/648338400.db2.gz ZGIAZDOZXBKSSW-TYNCELHUSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)C1 ZINC000419159346 648338424 /nfs/dbraw/zinc/33/84/24/648338424.db2.gz XGRFTOAJVLSSEF-ZDUSSCGKSA-N 1 0 384.307 2.481 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419170224 648339286 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C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)[C@@H](C)C[NH2+]1 ZINC000419195889 648341162 /nfs/dbraw/zinc/34/11/62/648341162.db2.gz YPNNLSQIHWOQRX-OLZOCXBDSA-N 1 0 396.329 2.052 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419215134 648342138 /nfs/dbraw/zinc/34/21/38/648342138.db2.gz LKPXCHWVXQOQSQ-HNNXBMFYSA-N 1 0 379.913 2.419 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419243530 648342806 /nfs/dbraw/zinc/34/28/06/648342806.db2.gz UJEJMKMFVTXMDF-SWLSCSKDSA-N 1 0 381.929 2.499 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419295036 648345242 /nfs/dbraw/zinc/34/52/42/648345242.db2.gz CLANJFPGMGWGSX-UHFFFAOYSA-N 1 0 396.329 2.460 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419305809 648346577 /nfs/dbraw/zinc/34/65/77/648346577.db2.gz XHRGVLFSFUSXSQ-SMDDNHRTSA-N 1 0 396.329 2.125 20 0 GEADRO Cc1cc(NC(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1Br ZINC000419322241 648346811 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GEADRO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000419515652 648355486 /nfs/dbraw/zinc/35/54/86/648355486.db2.gz FVLWQEZHJGGLLP-OSRSDYAFSA-N 1 0 396.329 2.402 20 0 GEADRO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)cn1 ZINC000419514022 648355644 /nfs/dbraw/zinc/35/56/44/648355644.db2.gz BZUNYHMGBZWZOH-UPJWGTAASA-N 1 0 385.306 2.002 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)[C@H]1C[NH3+] ZINC000419585499 648357037 /nfs/dbraw/zinc/35/70/37/648357037.db2.gz KEOKHCWYFOELHE-LYRGGWFBSA-N 1 0 394.313 2.138 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419585003 648357116 /nfs/dbraw/zinc/35/71/16/648357116.db2.gz JPJBDFJCBLUWGS-NHYWBVRUSA-N 1 0 382.302 2.186 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419588235 648357223 /nfs/dbraw/zinc/35/72/23/648357223.db2.gz OMWVJMKYPRQUOM-WBMJQRKESA-N 1 0 394.313 2.140 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000419593953 648357350 /nfs/dbraw/zinc/35/73/50/648357350.db2.gz YPWRFGJNCGEBFY-HWWQOWPSSA-N 1 0 394.313 2.138 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419593955 648357502 /nfs/dbraw/zinc/35/75/02/648357502.db2.gz YPWRFGJNCGEBFY-MKBNYLNASA-N 1 0 394.313 2.138 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br)[C@@H]1CCC[NH2+]C1 ZINC000419594468 648357892 /nfs/dbraw/zinc/35/78/92/648357892.db2.gz ZQTHYTNKZVWAEU-OZVIIMIRSA-N 1 0 394.313 2.057 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000419620832 648358414 /nfs/dbraw/zinc/35/84/14/648358414.db2.gz BPWQBBDKESXJQY-CYBMUJFWSA-N 1 0 377.794 2.391 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCCOC1 ZINC000419673109 648362375 /nfs/dbraw/zinc/36/23/75/648362375.db2.gz BLABRPWKFRRFTL-PWSUYJOCSA-N 1 0 377.304 2.001 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1Br ZINC000419693570 648365651 /nfs/dbraw/zinc/36/56/51/648365651.db2.gz NRKSDOSHYMEGBB-NSHDSACASA-N 1 0 379.345 2.472 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)C1 ZINC000419694593 648366056 /nfs/dbraw/zinc/36/60/56/648366056.db2.gz KZABWGZHBCQRJD-GFCCVEGCSA-N 1 0 386.323 2.455 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000419737470 648373272 /nfs/dbraw/zinc/37/32/72/648373272.db2.gz YFCHOPDRVYRZFO-BIMULSAOSA-N 1 0 386.279 2.177 20 0 GEADRO CN(C(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CCC[NH2+]CC1 ZINC000419738629 648373273 /nfs/dbraw/zinc/37/32/73/648373273.db2.gz ZCECRUIHTAWUQZ-MFKMUULPSA-N 1 0 386.279 2.144 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419741411 648373819 /nfs/dbraw/zinc/37/38/19/648373819.db2.gz CNCCXYBWCTZTRZ-BLLLJJGKSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419759031 648375479 /nfs/dbraw/zinc/37/54/79/648375479.db2.gz LQRVNOHJHFSQTC-SSDOTTSWSA-N 1 0 384.210 2.017 20 0 GEADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419763111 648375828 /nfs/dbraw/zinc/37/58/28/648375828.db2.gz FDIPVDSUNPHCDO-WFASDCNBSA-N 1 0 386.323 2.499 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000419767428 648376833 /nfs/dbraw/zinc/37/68/33/648376833.db2.gz AOYIIDRQEFEXAB-LSDHHAIUSA-N 1 0 398.276 2.105 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)c1cc(F)cc(Br)c1 ZINC000419772572 648377393 /nfs/dbraw/zinc/37/73/93/648377393.db2.gz GPHQBKFFMCBHKS-CQSZACIVSA-N 1 0 386.265 2.024 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1cc(F)cc(Br)c1 ZINC000419770586 648377397 /nfs/dbraw/zinc/37/73/97/648377397.db2.gz DSDFEMBNWAGRTR-ZIAGYGMSSA-N 1 0 386.265 2.024 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419776487 648377781 /nfs/dbraw/zinc/37/77/81/648377781.db2.gz KTOOCSXOAZGBPN-LKFCYVNXSA-N 1 0 386.265 2.009 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000419803122 648379959 /nfs/dbraw/zinc/37/99/59/648379959.db2.gz BTEXDUFVSRUIIE-SWLSCSKDSA-N 1 0 384.318 2.130 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000419806935 648380580 /nfs/dbraw/zinc/38/05/80/648380580.db2.gz FIEVGUJKUQBJCQ-WFASDCNBSA-N 1 0 396.329 2.087 20 0 GEADRO CC1(c2ccc(Br)cc2)CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC000419825277 648382504 /nfs/dbraw/zinc/38/25/04/648382504.db2.gz ANHYTVYTBLUJMU-UHFFFAOYSA-N 1 0 396.329 2.184 20 0 GEADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000419828494 648383188 /nfs/dbraw/zinc/38/31/88/648383188.db2.gz RXXACGUFVHMFCZ-KBPBESRZSA-N 1 0 376.291 2.468 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NCCCC[NH3+])ccc1Br ZINC000419834101 648383571 /nfs/dbraw/zinc/38/35/71/648383571.db2.gz REJGOEZKUOAWBP-OAHLLOKOSA-N 1 0 382.302 2.276 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000419836635 648384154 /nfs/dbraw/zinc/38/41/54/648384154.db2.gz ZMJRBOUJJVMECC-CZUORRHYSA-N 1 0 396.329 2.097 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000419867336 648386284 /nfs/dbraw/zinc/38/62/84/648386284.db2.gz BOXNFIMFQRKPMY-AWEZNQCLSA-N 1 0 394.313 2.198 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000419891041 648386712 /nfs/dbraw/zinc/38/67/12/648386712.db2.gz MQGBIMYKSIKEKL-LSDHHAIUSA-N 1 0 398.276 2.120 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000419892078 648386865 /nfs/dbraw/zinc/38/68/65/648386865.db2.gz NSIJGNYFMMYFCZ-OAHLLOKOSA-N 1 0 382.302 2.147 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000419893773 648386881 /nfs/dbraw/zinc/38/68/81/648386881.db2.gz QBJIXIWVFUIFPW-GHMZBOCLSA-N 1 0 386.315 2.042 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419898258 648387352 /nfs/dbraw/zinc/38/73/52/648387352.db2.gz WPRCWGQHLQWMBR-MRXNPFEDSA-N 1 0 394.313 2.023 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419910933 648388212 /nfs/dbraw/zinc/38/82/12/648388212.db2.gz IURBQAHURVJMIC-CJNGLKHVSA-N 1 0 394.313 2.228 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000419924591 648388984 /nfs/dbraw/zinc/38/89/84/648388984.db2.gz CPBXJVWNRUGPSN-GFCCVEGCSA-N 1 0 384.307 2.384 20 0 GEADRO O=C(NCC1C[NH2+]C1)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000419928389 648389620 /nfs/dbraw/zinc/38/96/20/648389620.db2.gz STBJQXOKKXHYJA-UHFFFAOYSA-N 1 0 394.313 2.056 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419985706 648392721 /nfs/dbraw/zinc/39/27/21/648392721.db2.gz WDIBMRGWQNAMSL-SWLSCSKDSA-N 1 0 388.295 2.073 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419989256 648393233 /nfs/dbraw/zinc/39/32/33/648393233.db2.gz ARBLSBABQRTVIX-KGLIPLIRSA-N 1 0 396.329 2.474 20 0 GEADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420001180 648394519 /nfs/dbraw/zinc/39/45/19/648394519.db2.gz PMYVBZROLVYJFJ-HOTGVXAUSA-N 1 0 394.313 2.371 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420004048 648394906 /nfs/dbraw/zinc/39/49/06/648394906.db2.gz UTECODDSLFVVTO-INIZCTEOSA-N 1 0 396.329 2.444 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000420003711 648394919 /nfs/dbraw/zinc/39/49/19/648394919.db2.gz VMGAQRQQLLLLDJ-GFCCVEGCSA-N 1 0 388.331 2.101 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1c(O)cnc2c(Br)cccc21 ZINC000420006492 648394987 /nfs/dbraw/zinc/39/49/87/648394987.db2.gz ZAXPWVYDKAHUJK-KRWDZBQOSA-N 1 0 396.285 2.135 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000420016468 648395817 /nfs/dbraw/zinc/39/58/17/648395817.db2.gz NEUZGXNIZRBGBG-MNOVXSKESA-N 1 0 388.331 2.274 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420032126 648397498 /nfs/dbraw/zinc/39/74/98/648397498.db2.gz FYRNAFMCRZKGRY-TYNCELHUSA-N 1 0 382.302 2.212 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420060291 648398891 /nfs/dbraw/zinc/39/88/91/648398891.db2.gz KGUUBYITKDAZDL-HNNXBMFYSA-N 1 0 382.302 2.041 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420060293 648398909 /nfs/dbraw/zinc/39/89/09/648398909.db2.gz KGUUBYITKDAZDL-OAHLLOKOSA-N 1 0 382.302 2.041 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC000420065403 648399330 /nfs/dbraw/zinc/39/93/30/648399330.db2.gz PUHMBQLKQOSFHX-LSDHHAIUSA-N 1 0 398.276 2.105 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCC(C)(C)[NH3+])ccc1Br ZINC000420072274 648399604 /nfs/dbraw/zinc/39/96/04/648399604.db2.gz DXUAGSXKFZBVTQ-AWEZNQCLSA-N 1 0 382.302 2.275 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420111762 648402405 /nfs/dbraw/zinc/40/24/05/648402405.db2.gz CZBYTEBCHKVPDO-UKRRQHHQSA-N 1 0 396.329 2.444 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420111760 648402410 /nfs/dbraw/zinc/40/24/10/648402410.db2.gz CZBYTEBCHKVPDO-DZGCQCFKSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420122070 648403260 /nfs/dbraw/zinc/40/32/60/648403260.db2.gz PTWNIZKMKFTVOD-LALPHHSUSA-N 1 0 382.302 2.083 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420129877 648404215 /nfs/dbraw/zinc/40/42/15/648404215.db2.gz QZNCFXIOVXTRDI-CZUORRHYSA-N 1 0 396.329 2.300 20 0 GEADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420135325 648404297 /nfs/dbraw/zinc/40/42/97/648404297.db2.gz GUXCAJWZIFOZSR-LLVKDONJSA-N 1 0 382.291 2.475 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420135416 648404301 /nfs/dbraw/zinc/40/43/01/648404301.db2.gz VGTFBKVKKVGZMP-OCCSQVGLSA-N 1 0 382.302 2.054 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000420151167 648406074 /nfs/dbraw/zinc/40/60/74/648406074.db2.gz BBYYTEAMFZTKFL-VXGBXAGGSA-N 1 0 390.311 2.333 20 0 GEADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420189257 648408849 /nfs/dbraw/zinc/40/88/49/648408849.db2.gz NXAITCJAULBJMN-WCQYABFASA-N 1 0 388.295 2.008 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000420350963 648413491 /nfs/dbraw/zinc/41/34/91/648413491.db2.gz VJLAMZFAQPBIDO-LSDHHAIUSA-N 1 0 395.345 2.064 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000420353471 648414035 /nfs/dbraw/zinc/41/40/35/648414035.db2.gz BXLLNUSKXWDXAM-MRXNPFEDSA-N 1 0 398.345 2.264 20 0 GEADRO CN(Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C[C@@H](O)C[NH3+] ZINC000420361018 648414065 /nfs/dbraw/zinc/41/40/65/648414065.db2.gz XMWMLJYQPXNJSU-JTQLQIEISA-N 1 0 378.885 2.469 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NCCS(=O)(=O)c1cccc(Br)c1 ZINC000420367031 648414567 /nfs/dbraw/zinc/41/45/67/648414567.db2.gz RVRMNGSCDVHOOH-AWEZNQCLSA-N 1 0 375.332 2.201 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NCC(=O)Nc1ccccc1I ZINC000420365131 648414586 /nfs/dbraw/zinc/41/45/86/648414586.db2.gz KVGYMUBGQLVPLD-CYBMUJFWSA-N 1 0 387.265 2.207 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1Br ZINC000420443145 648416370 /nfs/dbraw/zinc/41/63/70/648416370.db2.gz ANXQSYPHNGLUSJ-ZDUSSCGKSA-N 1 0 395.319 2.118 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420413576 648416513 /nfs/dbraw/zinc/41/65/13/648416513.db2.gz ZLTAGPCWLVRCKM-SFHVURJKSA-N 1 0 396.329 2.114 20 0 GEADRO O=S(=O)(NCCC[NH2+]C1CC1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000420445347 648417143 /nfs/dbraw/zinc/41/71/43/648417143.db2.gz FJRMWPMNLWTAIK-ZDUSSCGKSA-N 1 0 388.917 2.176 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420463601 648418340 /nfs/dbraw/zinc/41/83/40/648418340.db2.gz OCHHERNALWRQJS-GXTWGEPZSA-N 1 0 386.901 2.279 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)ccc1Br ZINC000420465923 648418867 /nfs/dbraw/zinc/41/88/67/648418867.db2.gz QXKSKVDTRUSYQJ-ZDUSSCGKSA-N 1 0 377.304 2.124 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000420469943 648419176 /nfs/dbraw/zinc/41/91/76/648419176.db2.gz WGOIRMDNKPSJSQ-ZFWWWQNUSA-N 1 0 386.901 2.279 20 0 GEADRO CN(CC[NH3+])S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000420469124 648419187 /nfs/dbraw/zinc/41/91/87/648419187.db2.gz ICVLGHHJRWFRJW-UHFFFAOYSA-N 1 0 376.301 2.152 20 0 GEADRO C[C@H]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@H]1C[NH3+] ZINC000420471445 648419784 /nfs/dbraw/zinc/41/97/84/648419784.db2.gz APOOQIIOVHHDGF-NWDGAFQWSA-N 1 0 390.347 2.121 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420472050 648419829 /nfs/dbraw/zinc/41/98/29/648419829.db2.gz YWSPAXNGBCJKIB-SWLSCSKDSA-N 1 0 386.901 2.279 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000420475627 648420889 /nfs/dbraw/zinc/42/08/89/648420889.db2.gz GYCZOSSCHVITRI-ONGXEEELSA-N 1 0 377.869 2.043 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000420740776 648446735 /nfs/dbraw/zinc/44/67/35/648446735.db2.gz RXWSTDQMWLNBIO-ZDUSSCGKSA-N 1 0 389.315 2.099 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000420812039 648458045 /nfs/dbraw/zinc/45/80/45/648458045.db2.gz WSRZXGCGDDJLQF-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420975957 648460580 /nfs/dbraw/zinc/46/05/80/648460580.db2.gz QHAQTMRZFVAIHB-AWEZNQCLSA-N 1 0 375.332 2.395 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421188897 648468500 /nfs/dbraw/zinc/46/85/00/648468500.db2.gz LLXFAUXZLYCFRY-QWHCGFSZSA-N 1 0 394.313 2.327 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421412915 648491193 /nfs/dbraw/zinc/49/11/93/648491193.db2.gz UPWPFRKMKDQGRL-CJNGLKHVSA-N 1 0 398.345 2.488 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422196106 648528641 /nfs/dbraw/zinc/52/86/41/648528641.db2.gz WUYARJFWNHSASQ-CYBMUJFWSA-N 1 0 384.318 2.220 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)C(=O)NCc2ccsc2Br)CC1 ZINC000422331737 648536972 /nfs/dbraw/zinc/53/69/72/648536972.db2.gz DGXDIHSMWIFCGQ-UHFFFAOYSA-N 1 0 388.331 2.116 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000422430959 648545824 /nfs/dbraw/zinc/54/58/24/648545824.db2.gz UMOXXDNYVYKVGJ-ZDUSSCGKSA-N 1 0 394.313 2.140 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000422511018 648553734 /nfs/dbraw/zinc/55/37/34/648553734.db2.gz BQYOKUIJERQLQJ-CABCVRRESA-N 1 0 394.313 2.069 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000422514462 648554557 /nfs/dbraw/zinc/55/45/57/648554557.db2.gz HGHPELKUIVBVMP-CZUORRHYSA-N 1 0 396.329 2.172 20 0 GEADRO CC(C)(CC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000422549844 648558179 /nfs/dbraw/zinc/55/81/79/648558179.db2.gz IHVIAGTUMIYIOW-GFCCVEGCSA-N 1 0 376.906 2.161 20 0 GEADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC(C)(C)CC[NH3+])c1 ZINC000422556262 648559201 /nfs/dbraw/zinc/55/92/01/648559201.db2.gz SINPVAAKEVSOIG-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000422604009 648561529 /nfs/dbraw/zinc/56/15/29/648561529.db2.gz NCGQLJCXSVLEKO-UHFFFAOYSA-N 1 0 381.278 2.161 20 0 GEADRO C[C@@H]1C[C@H](C)N(Cc2nnnn2-c2ccccc2Br)C[C@@H]1C[NH3+] ZINC000422625204 648563687 /nfs/dbraw/zinc/56/36/87/648563687.db2.gz AYAWBEUWKRTCFJ-AGIUHOORSA-N 1 0 379.306 2.230 20 0 GEADRO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422768763 648575136 /nfs/dbraw/zinc/57/51/36/648575136.db2.gz UWHNGSTWFIPSFY-ZIAGYGMSSA-N 1 0 375.332 2.471 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@H]([NH3+])C3CCC3)n2)cc1 ZINC000422933468 648577642 /nfs/dbraw/zinc/57/76/42/648577642.db2.gz HTVAGIZQXGYDNR-CQSZACIVSA-N 1 0 380.495 2.248 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000422995829 648580319 /nfs/dbraw/zinc/58/03/19/648580319.db2.gz ZLDZLEBVZYRTRM-OAHLLOKOSA-N 1 0 384.318 2.239 20 0 GEADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422995832 648580488 /nfs/dbraw/zinc/58/04/88/648580488.db2.gz ZLEUCKHPHRLPCB-WMLDXEAASA-N 1 0 398.345 2.142 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423128876 648583314 /nfs/dbraw/zinc/58/33/14/648583314.db2.gz QRUKVNOJNMEDNP-GOSISDBHSA-N 1 0 396.329 2.385 20 0 GEADRO C[C@@H](C[C@@H]1COCC[NH2+]1)NCc1c(Br)cncc1Br ZINC000423163500 648585633 /nfs/dbraw/zinc/58/56/33/648585633.db2.gz VPVWQLURVCWFQF-VHSXEESVSA-N 1 0 393.123 2.463 20 0 GEADRO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423221877 648587784 /nfs/dbraw/zinc/58/77/84/648587784.db2.gz YNLMIBHGQSTIOQ-GVXVVHGQSA-N 1 0 390.347 2.135 20 0 GEADRO CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000423279134 648589005 /nfs/dbraw/zinc/58/90/05/648589005.db2.gz SEHWWYPUBIDPPN-WCQYABFASA-N 1 0 398.326 2.004 20 0 GEADRO CC[C@@H](NC(=O)c1cn(CCCC[NH3+])nn1)c1nc(C(F)(F)F)cs1 ZINC000423281612 648589045 /nfs/dbraw/zinc/58/90/45/648589045.db2.gz VVSBBPLNIOVAOU-SECBINFHSA-N 1 0 376.408 2.373 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000423355351 648589691 /nfs/dbraw/zinc/58/96/91/648589691.db2.gz FFMRXZLQHSXVCT-MRXNPFEDSA-N 1 0 381.929 2.154 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000423369693 648590214 /nfs/dbraw/zinc/59/02/14/648590214.db2.gz SYRMENNODDORPV-BJJXKVORSA-N 1 0 381.929 2.152 20 0 GEADRO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)s1 ZINC000423386939 648590680 /nfs/dbraw/zinc/59/06/80/648590680.db2.gz LSZWRXHGVAYMIF-RKDXNWHRSA-N 1 0 387.269 2.392 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423450038 648590974 /nfs/dbraw/zinc/59/09/74/648590974.db2.gz DLAMZGHIOSOQBF-LBPRGKRZSA-N 1 0 388.693 2.011 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)N1CCC([NH3+])CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000423478473 648592120 /nfs/dbraw/zinc/59/21/20/648592120.db2.gz UQBHEVUNDJSXSG-NSHDSACASA-N 1 0 388.295 2.169 20 0 GEADRO CC[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423475483 648592147 /nfs/dbraw/zinc/59/21/47/648592147.db2.gz IAVQJXORRYZESI-JSGCOSHPSA-N 1 0 381.876 2.286 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)C1 ZINC000423483062 648592606 /nfs/dbraw/zinc/59/26/06/648592606.db2.gz PTNJDZPBFYZVPP-LBPRGKRZSA-N 1 0 384.307 2.336 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC000423488460 648592711 /nfs/dbraw/zinc/59/27/11/648592711.db2.gz ZACPECVMGBOXGJ-LBPRGKRZSA-N 1 0 384.307 2.336 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC000423501158 648593099 /nfs/dbraw/zinc/59/30/99/648593099.db2.gz AYVVMXWIPNXQQW-LSDHHAIUSA-N 1 0 398.276 2.072 20 0 GEADRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(F)c(I)c1 ZINC000423490038 648593154 /nfs/dbraw/zinc/59/31/54/648593154.db2.gz HHWNMISYPNPMLY-JQWIXIFHSA-N 1 0 378.229 2.459 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000423499905 648593201 /nfs/dbraw/zinc/59/32/01/648593201.db2.gz BQFYEZSZKFJUIL-INIZCTEOSA-N 1 0 394.313 2.008 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)C1 ZINC000423513520 648593580 /nfs/dbraw/zinc/59/35/80/648593580.db2.gz CEJZATCOGFBUAM-GOEBONIOSA-N 1 0 394.313 2.241 20 0 GEADRO CN(CC[NH3+])C(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000423556015 648595112 /nfs/dbraw/zinc/59/51/12/648595112.db2.gz JUTDWDPZGLVTRL-UHFFFAOYSA-N 1 0 382.302 2.137 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000423550916 648595155 /nfs/dbraw/zinc/59/51/55/648595155.db2.gz BESOIJZFSWCVJO-FIRUKDTASA-N 1 0 394.313 2.164 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423570520 648596025 /nfs/dbraw/zinc/59/60/25/648596025.db2.gz UXPLEZQIYOHKAR-LBPRGKRZSA-N 1 0 382.302 2.179 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423578439 648596600 /nfs/dbraw/zinc/59/66/00/648596600.db2.gz KZSWZQYYSATPIV-ZIAGYGMSSA-N 1 0 394.313 2.062 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423588960 648596633 /nfs/dbraw/zinc/59/66/33/648596633.db2.gz DKNICGAZFNNPNW-GDBMZVCRSA-N 1 0 394.313 2.008 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423602343 648597087 /nfs/dbraw/zinc/59/70/87/648597087.db2.gz TVBYOCHTHARLOF-GOSISDBHSA-N 1 0 394.313 2.010 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000423599852 648597174 /nfs/dbraw/zinc/59/71/74/648597174.db2.gz YMEHUKVXXDRRRE-ZBFHGGJFSA-N 1 0 381.929 2.243 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000423654703 648598143 /nfs/dbraw/zinc/59/81/43/648598143.db2.gz AZJBPRBMJIVCIL-WPRPVWTQSA-N 1 0 385.287 2.441 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000423656045 648598537 /nfs/dbraw/zinc/59/85/37/648598537.db2.gz TWWOVOACNHWUNO-WWGRRREGSA-N 1 0 381.929 2.229 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000423689291 648599507 /nfs/dbraw/zinc/59/95/07/648599507.db2.gz XPNVYKSIQGAILZ-JSGCOSHPSA-N 1 0 385.555 2.311 20 0 GEADRO Cc1cc(C2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)ccc1Br ZINC000423704759 648599899 /nfs/dbraw/zinc/59/98/99/648599899.db2.gz NHDQOAKQIOHPBZ-CYBMUJFWSA-N 1 0 396.329 2.269 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000423701931 648599904 /nfs/dbraw/zinc/59/99/04/648599904.db2.gz XASBSTAXXYTVGS-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)[C@@H]1C[NH3+] ZINC000423726078 648600799 /nfs/dbraw/zinc/60/07/99/648600799.db2.gz IBAWENXBTHLCTF-CZUORRHYSA-N 1 0 396.329 2.036 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CC[C@@H]1[NH3+] ZINC000423726144 648600897 /nfs/dbraw/zinc/60/08/97/648600897.db2.gz IETKHLZONDJTTJ-WQVCFCJDSA-N 1 0 381.929 2.229 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000423721317 648600953 /nfs/dbraw/zinc/60/09/53/648600953.db2.gz DZQLWSNCVMBGHU-MLGOLLRUSA-N 1 0 396.329 2.302 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000423734734 648600967 /nfs/dbraw/zinc/60/09/67/648600967.db2.gz DEHJTZSIWQFVOB-LLVKDONJSA-N 1 0 388.331 2.070 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000423746886 648601310 /nfs/dbraw/zinc/60/13/10/648601310.db2.gz PWSXREHLKOEXSU-QWRGUYRKSA-N 1 0 389.315 2.018 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000423745036 648601431 /nfs/dbraw/zinc/60/14/31/648601431.db2.gz NGUKECHCJWANOP-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000423750318 648601808 /nfs/dbraw/zinc/60/18/08/648601808.db2.gz UQEPMKSCIRJBOI-OAHLLOKOSA-N 1 0 382.302 2.008 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423815330 648601816 /nfs/dbraw/zinc/60/18/16/648601816.db2.gz WDHVXPBEJMTRQT-LLVKDONJSA-N 1 0 396.289 2.279 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)COc1cccc(I)c1 ZINC000423753880 648601944 /nfs/dbraw/zinc/60/19/44/648601944.db2.gz YPRCWUUHYARORP-CYBMUJFWSA-N 1 0 388.249 2.174 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423946786 648604637 /nfs/dbraw/zinc/60/46/37/648604637.db2.gz VPJGMYXVEDKFDP-ONGXEEELSA-N 1 0 388.331 2.263 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423955127 648605265 /nfs/dbraw/zinc/60/52/65/648605265.db2.gz ONABULYAFHUFCI-DFBGVHRSSA-N 1 0 382.302 2.009 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cc(F)ccc3Br)C2)nn1 ZINC000423995287 648607532 /nfs/dbraw/zinc/60/75/32/648607532.db2.gz DMUXMWATPBEVLH-GFCCVEGCSA-N 1 0 382.237 2.116 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000424009445 648609730 /nfs/dbraw/zinc/60/97/30/648609730.db2.gz JIAWYLRKFPXOPQ-HOTGVXAUSA-N 1 0 395.297 2.377 20 0 GEADRO O=C(Nc1cccc(I)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424071401 648610845 /nfs/dbraw/zinc/61/08/45/648610845.db2.gz BIICMECYNVXXKF-LBPRGKRZSA-N 1 0 397.220 2.060 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccs2)c1 ZINC000424215782 648619853 /nfs/dbraw/zinc/61/98/53/648619853.db2.gz QGZUJYKKFOYVOV-UHFFFAOYSA-N 1 0 387.914 2.494 20 0 GEADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424226310 648621060 /nfs/dbraw/zinc/62/10/60/648621060.db2.gz OMHDJVWTGAVBTE-YNZJMPHRSA-N 1 0 383.279 2.448 20 0 GEADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(Cl)c1 ZINC000424348601 648623431 /nfs/dbraw/zinc/62/34/31/648623431.db2.gz LUUPDKDAHLDDJS-CHWSQXEVSA-N 1 0 375.922 2.270 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)CCCO1 ZINC000424364920 648623847 /nfs/dbraw/zinc/62/38/47/648623847.db2.gz UFWDYNKHSHNOGA-ZDUSSCGKSA-N 1 0 399.310 2.341 20 0 GEADRO COc1cc(NC(=O)C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc(OC)c1 ZINC000425359151 648674726 /nfs/dbraw/zinc/67/47/26/648674726.db2.gz VCJAUTPVPMTTIA-NSHDSACASA-N 1 0 397.273 2.280 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000426119096 648703692 /nfs/dbraw/zinc/70/36/92/648703692.db2.gz ZTSLAYURXJDICG-AAEUAGOBSA-N 1 0 390.347 2.497 20 0 GEADRO CN(Cc1c(Br)cnn1C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000426150359 648705334 /nfs/dbraw/zinc/70/53/34/648705334.db2.gz UBRVFUKIHATHFR-GOSISDBHSA-N 1 0 393.329 2.251 20 0 GEADRO CC1(C)CN(C(=O)CCOc2ccccc2I)CC[NH2+]1 ZINC000426695330 648714062 /nfs/dbraw/zinc/71/40/62/648714062.db2.gz MLAVIRBCZBYHGJ-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO O=C(NCC[NH+]1CCCC1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000426880945 648717013 /nfs/dbraw/zinc/71/70/13/648717013.db2.gz GSEPVKZIZWNSAU-MRXNPFEDSA-N 1 0 394.313 2.152 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000426957318 648719988 /nfs/dbraw/zinc/71/99/88/648719988.db2.gz XNIVNROTPAPSGY-INIZCTEOSA-N 1 0 396.329 2.397 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000428557193 648737180 /nfs/dbraw/zinc/73/71/80/648737180.db2.gz BOKYJUVYXFDOIA-UHFFFAOYSA-N 1 0 384.727 2.025 20 0 GEADRO C[C@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000429149511 648746598 /nfs/dbraw/zinc/74/65/98/648746598.db2.gz GOSKTSWMWXWYPG-FZMZJTMJSA-N 1 0 383.290 2.156 20 0 GEADRO C[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000429149512 648746721 /nfs/dbraw/zinc/74/67/21/648746721.db2.gz GOSKTSWMWXWYPG-RISCZKNCSA-N 1 0 383.290 2.156 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000429158367 648747140 /nfs/dbraw/zinc/74/71/40/648747140.db2.gz KDSUJIKFDBRLAP-DYEKYZERSA-N 1 0 382.302 2.153 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2nnc(SC)s2)[C@H](C)C1 ZINC000429154692 648747433 /nfs/dbraw/zinc/74/74/33/648747433.db2.gz HKFNSSLBJFEQNB-OLZOCXBDSA-N 1 0 387.575 2.196 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000429272144 648749358 /nfs/dbraw/zinc/74/93/58/648749358.db2.gz CHQUEYDMCJGHMM-KRWDZBQOSA-N 1 0 380.330 2.436 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429818444 648752578 /nfs/dbraw/zinc/75/25/78/648752578.db2.gz DNJKABRJJGRVQP-UHFFFAOYSA-N 1 0 399.738 2.349 20 0 GEADRO Cn1ncc(Cl)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000429840146 648753811 /nfs/dbraw/zinc/75/38/11/648753811.db2.gz NQNVXZFYGNCJAY-UHFFFAOYSA-N 1 0 392.859 2.104 20 0 GEADRO C[C@@H](CNC(=O)c1c(I)cnn1C)[N@@H+]1CCCC[C@H]1C ZINC000429868061 648756235 /nfs/dbraw/zinc/75/62/35/648756235.db2.gz RXMACLPCOZRNIH-MNOVXSKESA-N 1 0 390.269 2.017 20 0 GEADRO CN(CC(=O)Nc1ccc(I)cc1)CC(C)(C)C[NH3+] ZINC000430573380 648764427 /nfs/dbraw/zinc/76/44/27/648764427.db2.gz QIZOMOYQEBHTIQ-UHFFFAOYSA-N 1 0 375.254 2.146 20 0 GEADRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430705446 648765447 /nfs/dbraw/zinc/76/54/47/648765447.db2.gz ALSUOSUPZDKKJH-OPQQBVKSSA-N 1 0 379.320 2.154 20 0 GEADRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724419 648766135 /nfs/dbraw/zinc/76/61/35/648766135.db2.gz VUJUSFYWVQVQDP-QMTHXVAHSA-N 1 0 379.320 2.154 20 0 GEADRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000430739992 648767507 /nfs/dbraw/zinc/76/75/07/648767507.db2.gz IJLOMOQVARGCLR-MVWJERBFSA-N 1 0 377.304 2.315 20 0 GEADRO C[C@H]([NH3+])C1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000430923477 648770470 /nfs/dbraw/zinc/77/04/70/648770470.db2.gz FCIFYBCZIFBLOS-LBPRGKRZSA-N 1 0 375.332 2.282 20 0 GEADRO C[NH2+]C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000430936540 648770633 /nfs/dbraw/zinc/77/06/33/648770633.db2.gz ZKEIPWQOGOSFPI-NEPJUHHUSA-N 1 0 387.265 2.160 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430959625 648770878 /nfs/dbraw/zinc/77/08/78/648770878.db2.gz CQILKNBFNHVUHN-UHIISALHSA-N 1 0 387.265 2.287 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000432515519 648777351 /nfs/dbraw/zinc/77/73/51/648777351.db2.gz SFWIABRCAKKNNG-WQVCFCJDSA-N 1 0 396.329 2.318 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(F)ccc1Br ZINC000435210441 648782788 /nfs/dbraw/zinc/78/27/88/648782788.db2.gz ISVSESFSUDAPSP-NOZJJQNGSA-N 1 0 377.279 2.349 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000440744717 648811672 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GEADRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)C[C@H]1C ZINC000441121326 648820886 /nfs/dbraw/zinc/82/08/86/648820886.db2.gz XRCWQQNRLOQRDV-VXGBXAGGSA-N 1 0 398.301 2.337 20 0 GEADRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)C[C@H]1C ZINC000441121316 648820899 /nfs/dbraw/zinc/82/08/99/648820899.db2.gz XRCWQQNRLOQRDV-NEPJUHHUSA-N 1 0 398.301 2.337 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)c1cccc(Br)c1I ZINC000441607045 648832588 /nfs/dbraw/zinc/83/25/88/648832588.db2.gz BXXPYUNZKZVQOU-SSDOTTSWSA-N 1 0 397.054 2.378 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000442799086 648848914 /nfs/dbraw/zinc/84/89/14/648848914.db2.gz YRTHRRVHMVIZOF-IJLUTSLNSA-N 1 0 387.265 2.287 20 0 GEADRO Cc1cc2c(o1)c(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)ccc2Br ZINC000442940596 648854767 /nfs/dbraw/zinc/85/47/67/648854767.db2.gz VJVPMLXHARTLAZ-GFCCVEGCSA-N 1 0 380.286 2.479 20 0 GEADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443345074 648872676 /nfs/dbraw/zinc/87/26/76/648872676.db2.gz 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CCN1CC[C@H]([NH2+]CCCS(=O)(=O)NC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549479132 651097672 /nfs/dbraw/zinc/09/76/72/651097672.db2.gz ZAZRGXLTSUESCP-HOTGVXAUSA-N 1 0 377.913 2.143 20 0 GEADRO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000549924516 651103284 /nfs/dbraw/zinc/10/32/84/651103284.db2.gz YQPDLESWRRVAPJ-QWHCGFSZSA-N 1 0 386.359 2.495 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000550362691 651109822 /nfs/dbraw/zinc/10/98/22/651109822.db2.gz WQVGRZODWBTBAB-AWEZNQCLSA-N 1 0 396.329 2.302 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000550375076 651110174 /nfs/dbraw/zinc/11/01/74/651110174.db2.gz DUFHUXYAEFOESL-INIZCTEOSA-N 1 0 394.313 2.323 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c(I)cnn1C ZINC000550441766 651111429 /nfs/dbraw/zinc/11/14/29/651111429.db2.gz OVRKRZSBYLXZCN-GHMZBOCLSA-N 1 0 390.269 2.017 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000550664513 651113735 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C[N@@H+]1CCN(c2cc(Br)cnc2C(N)=O)C[C@@H]1Cc1ccccc1 ZINC000553347447 651172389 /nfs/dbraw/zinc/17/23/89/651172389.db2.gz WQSVDHJIWYTMPR-HNNXBMFYSA-N 1 0 389.297 2.306 20 0 GEADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cncc(I)c2)C[C@@H](C)C1 ZINC000553769033 651187453 /nfs/dbraw/zinc/18/74/53/651187453.db2.gz DKPQFXJUXUZTFB-YWPYICTPSA-N 1 0 399.276 2.489 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000554028040 651197308 /nfs/dbraw/zinc/19/73/08/651197308.db2.gz CVIMAYBWXYRWMJ-BBRMVZONSA-N 1 0 396.329 2.315 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000554090001 651197648 /nfs/dbraw/zinc/19/76/48/651197648.db2.gz KNJMRLAEIXWXAO-IUODEOHRSA-N 1 0 390.347 2.371 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000554372612 651203056 /nfs/dbraw/zinc/20/30/56/651203056.db2.gz PUAXGQWXWHIBOM-STQMWFEESA-N 1 0 388.917 2.480 20 0 GEADRO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ncc(Br)cn1 ZINC000554517067 651206078 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CO[C@@]1(C[NH2+]Cc2cc(Br)ccc2Cl)CCS(=O)(=O)C1 ZINC000721152226 651476722 /nfs/dbraw/zinc/47/67/22/651476722.db2.gz JTBQRLSDLCWZPJ-CYBMUJFWSA-N 1 0 382.707 2.396 20 0 GEADRO CCOC(=O)c1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000603288433 651477114 /nfs/dbraw/zinc/47/71/14/651477114.db2.gz JYNOJIXLYPIARF-UONOGXRCSA-N 1 0 398.301 2.056 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000643091485 651477782 /nfs/dbraw/zinc/47/77/82/651477782.db2.gz WSWDKMIINDGAIQ-VHDGCEQUSA-N 1 0 385.555 2.240 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000643095907 651477791 /nfs/dbraw/zinc/47/77/91/651477791.db2.gz DCVLZULHZRMYCY-YOEHRIQHSA-N 1 0 388.917 2.256 20 0 GEADRO CC(C)O[C@@]1(C[NH2+]Cc2ncc(I)s2)CCOC1 ZINC000722346919 651477841 /nfs/dbraw/zinc/47/78/41/651477841.db2.gz MCHANIIQMSJTNY-GFCCVEGCSA-N 1 0 382.267 2.421 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)/C=C\c1ccc(Br)o1 ZINC000725906961 651482386 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GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ncc(I)s1 ZINC000603437643 651493088 /nfs/dbraw/zinc/49/30/88/651493088.db2.gz QESKYDHFEGCIHU-VIFPVBQESA-N 1 0 379.267 2.162 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ncc(I)s3)CC[C@H]21 ZINC000603438185 651493589 /nfs/dbraw/zinc/49/35/89/651493589.db2.gz ZYKVAKKFFPWQKS-NXEZZACHSA-N 1 0 391.278 2.304 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000562422565 651494903 /nfs/dbraw/zinc/49/49/03/651494903.db2.gz HRNYPFRNRQXIGG-UHFFFAOYSA-N 1 0 379.551 2.316 20 0 GEADRO O=C(Nc1nnc(SCc2ccccc2)s1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000562746504 651500776 /nfs/dbraw/zinc/50/07/76/651500776.db2.gz AXPQOTYHHUBBAH-KGLIPLIRSA-N 1 0 375.523 2.904 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000562757720 651501384 /nfs/dbraw/zinc/50/13/84/651501384.db2.gz DDRDXBYLUMHBJE-SNVBAGLBSA-N 1 0 375.803 2.120 20 0 GEADRO Cc1nc2cc(Br)cc(NC(=O)N3CCN(CCO)[C@H](C)C3)c2o1 ZINC000562881880 651501939 /nfs/dbraw/zinc/50/19/39/651501939.db2.gz MMUMYERBJAUNMU-SNVBAGLBSA-N 1 0 397.273 2.429 20 0 GEADRO COc1cc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc(OC)c1Br ZINC000563087268 651508825 /nfs/dbraw/zinc/50/88/25/651508825.db2.gz BRKYDZNFVIJZEL-FGWVZKOKSA-N 1 0 397.269 2.220 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604199655 651509749 /nfs/dbraw/zinc/50/97/49/651509749.db2.gz SMEKOEVQLFJPBQ-XJKSGUPXSA-N 1 0 383.945 2.402 20 0 GEADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)cc1 ZINC000563132112 651510827 /nfs/dbraw/zinc/51/08/27/651510827.db2.gz FKJUZSZJBSMMBW-WMLDXEAASA-N 1 0 388.555 2.056 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000727074145 651511001 /nfs/dbraw/zinc/51/10/01/651511001.db2.gz ACAFHDMNPOLUHY-UHFFFAOYSA-N 1 0 384.571 2.101 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000563133004 651511165 /nfs/dbraw/zinc/51/11/65/651511165.db2.gz YPCVUJKAZJMLMN-BDAKNGLRSA-N 1 0 388.262 2.492 20 0 GEADRO O=C(NCCCNC(=O)[C@H]1CCCCC[NH2+]1)c1ccc(Br)cc1 ZINC000563150264 651512522 /nfs/dbraw/zinc/51/25/22/651512522.db2.gz NMXKXEHJEZHSHP-OAHLLOKOSA-N 1 0 382.302 2.217 20 0 GEADRO COc1cc(Br)c(CNC(=S)NCCC[NH+](C)C)cc1OC ZINC000727087589 651512545 /nfs/dbraw/zinc/51/25/45/651512545.db2.gz VZNYETRLNOURSX-UHFFFAOYSA-N 1 0 390.347 2.382 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000563159388 651513253 /nfs/dbraw/zinc/51/32/53/651513253.db2.gz IDLFZXICTRKGIT-NSHDSACASA-N 1 0 394.324 2.002 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644015709 651514851 /nfs/dbraw/zinc/51/48/51/651514851.db2.gz ZTVQEGCITDWINZ-NSHDSACASA-N 1 0 375.803 2.038 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCOC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000563208333 651516069 /nfs/dbraw/zinc/51/60/69/651516069.db2.gz WEFVIJZLXNERSN-MRXNPFEDSA-N 1 0 383.286 2.031 20 0 GEADRO C[C@H]([NH3+])CN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000563214817 651516554 /nfs/dbraw/zinc/51/65/54/651516554.db2.gz ANCQBXVFLQDQGC-NSHDSACASA-N 1 0 378.826 2.262 20 0 GEADRO CN(CCC[NH3+])C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000644066944 651519010 /nfs/dbraw/zinc/51/90/10/651519010.db2.gz XLFGZMSACIUMBS-ZDUSSCGKSA-N 1 0 387.267 2.006 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000644079903 651520363 /nfs/dbraw/zinc/52/03/63/651520363.db2.gz SEWJJDIZPUJGOQ-NSHDSACASA-N 1 0 389.315 2.033 20 0 GEADRO CC1(C)C[NH2+]CCN1C(=O)c1ncc(Br)cc1Br ZINC000644075552 651520437 /nfs/dbraw/zinc/52/04/37/651520437.db2.gz AEGVGECCWZUKDZ-UHFFFAOYSA-N 1 0 377.080 2.431 20 0 GEADRO CO[C@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@H](C[NH3+])C1 ZINC000644105979 651520827 /nfs/dbraw/zinc/52/08/27/651520827.db2.gz MZPVPIHZLBIJEB-HOTGVXAUSA-N 1 0 393.285 2.213 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@H](C[NH3+])C1 ZINC000644105981 651520935 /nfs/dbraw/zinc/52/09/35/651520935.db2.gz MZPVPIHZLBIJEB-JKSUJKDBSA-N 1 0 393.285 2.213 20 0 GEADRO Cn1ccnc1[C@H]1CNCCN1C(=O)CCc1ccc(Br)cc1F 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CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000646427665 651696052 /nfs/dbraw/zinc/69/60/52/651696052.db2.gz ZYUMMFOKHASCJY-SECBINFHSA-N 1 0 390.330 2.007 20 0 GEADRO O=C(CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)Nc1cccc(Br)c1 ZINC000569079981 651699412 /nfs/dbraw/zinc/69/94/12/651699412.db2.gz KBCGNVHMJAKKBW-RHSMWYFYSA-N 1 0 380.286 2.425 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1ccc2cc(Br)ccc2c1 ZINC000569087789 651700032 /nfs/dbraw/zinc/70/00/32/651700032.db2.gz NYAGKLKPQLNQQN-OAHLLOKOSA-N 1 0 399.310 2.259 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646575579 651703091 /nfs/dbraw/zinc/70/30/91/651703091.db2.gz KILHETQLSNEQSA-JTQLQIEISA-N 1 0 381.889 2.253 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000733367538 651703350 /nfs/dbraw/zinc/70/33/50/651703350.db2.gz FEHODVCOITYTLV-CYBMUJFWSA-N 1 0 397.317 2.371 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)c1ccccc1Cl ZINC000646572666 651703212 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GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646843570 651723689 /nfs/dbraw/zinc/72/36/89/651723689.db2.gz JZAXUQCQQMYFDI-ZBEGNZNMSA-N 1 0 393.285 2.131 20 0 GEADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646845509 651723691 /nfs/dbraw/zinc/72/36/91/651723691.db2.gz KBUFSFYUPXQRPR-LXZKKBNFSA-N 1 0 399.329 2.219 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000569848828 651728773 /nfs/dbraw/zinc/72/87/73/651728773.db2.gz ZCGLKIZBANGBIY-FUHWJXTLSA-N 1 0 383.583 2.268 20 0 GEADRO C[C@@H]1SCC[C@@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000646938922 651729613 /nfs/dbraw/zinc/72/96/13/651729613.db2.gz JZDWKLGJLBNCAQ-FZMZJTMJSA-N 1 0 385.917 2.229 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)c1ccc(Br)cc1 ZINC000733974819 651732349 /nfs/dbraw/zinc/73/23/49/651732349.db2.gz CMAQJYBGJJUEOA-MRXNPFEDSA-N 1 0 395.297 2.391 20 0 GEADRO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000569912847 651733013 /nfs/dbraw/zinc/73/30/13/651733013.db2.gz KHVPKPYAQFSEIP-CYBMUJFWSA-N 1 0 392.352 2.299 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000569927435 651734518 /nfs/dbraw/zinc/73/45/18/651734518.db2.gz UZKOBNZAEHFNHZ-LBPRGKRZSA-N 1 0 389.905 2.057 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)NC3(C[NH3+])CCCC3)cc21 ZINC000647220192 651737111 /nfs/dbraw/zinc/73/71/11/651737111.db2.gz GPGUIZYGKPHCFQ-UHFFFAOYSA-N 1 0 386.315 2.491 20 0 GEADRO COc1cc(C[NH2+][C@@H](CO)C2CC2)cc(I)c1OC ZINC000734163687 651738178 /nfs/dbraw/zinc/73/81/78/651738178.db2.gz FZUSIIZNSQNPLJ-LBPRGKRZSA-N 1 0 377.222 2.169 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)c(Cl)c1 ZINC000734244756 651740186 /nfs/dbraw/zinc/74/01/86/651740186.db2.gz XFWKCEQDDWCJSE-ZDUSSCGKSA-N 1 0 376.881 2.401 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)c(F)c1F ZINC000734243004 651740305 /nfs/dbraw/zinc/74/03/05/651740305.db2.gz CRFRGOLRYWHGSB-GFCCVEGCSA-N 1 0 378.416 2.026 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1OC(F)F ZINC000647320267 651743913 /nfs/dbraw/zinc/74/39/13/651743913.db2.gz ZNERSUKWWCVLMK-SNVBAGLBSA-N 1 0 376.759 2.217 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000570072495 651744505 /nfs/dbraw/zinc/74/45/05/651744505.db2.gz VERDYLJTMVHODW-JOYOIKCWSA-N 1 0 380.798 2.430 20 0 GEADRO CC[C@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)NCc1cccs1 ZINC000647335056 651744419 /nfs/dbraw/zinc/74/44/19/651744419.db2.gz YFVPZHXGYVONPJ-WBMJQRKESA-N 1 0 381.523 2.141 20 0 GEADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)NCc1cccs1 ZINC000647334240 651744667 /nfs/dbraw/zinc/74/46/67/651744667.db2.gz ITCBEMXOPKCCDM-MLGOLLRUSA-N 1 0 381.523 2.141 20 0 GEADRO CC[C@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)NCc1cccs1 ZINC000647335054 651744713 /nfs/dbraw/zinc/74/47/13/651744713.db2.gz YFVPZHXGYVONPJ-LRDDRELGSA-N 1 0 381.523 2.141 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000612101861 651745348 /nfs/dbraw/zinc/74/53/48/651745348.db2.gz VMQFKPAXDWFBAK-GFCCVEGCSA-N 1 0 389.338 2.487 20 0 GEADRO O=C1C[C@@H]([NH2+]CC2(O)CCCCC2)C(=O)N1c1ccc(Br)cc1 ZINC000570104766 651747450 /nfs/dbraw/zinc/74/74/50/651747450.db2.gz OVZRTCRKQSBJJF-CQSZACIVSA-N 1 0 381.270 2.366 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000647494519 651748364 /nfs/dbraw/zinc/74/83/64/651748364.db2.gz WMWZTSBFEHNOFT-NKWVEPMBSA-N 1 0 380.645 2.422 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000647494863 651748520 /nfs/dbraw/zinc/74/85/20/651748520.db2.gz WSYHPZUTEVIVKY-VHSXEESVSA-N 1 0 379.258 2.178 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3nc(C(F)(F)F)cs3)CC2)C1 ZINC000734514477 651748760 /nfs/dbraw/zinc/74/87/60/651748760.db2.gz LRTFATKIPOOPOC-NSHDSACASA-N 1 0 377.436 2.406 20 0 GEADRO Cc1ccc(OCCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000647679323 651754177 /nfs/dbraw/zinc/75/41/77/651754177.db2.gz YKPCGTUIKORBNI-HNNXBMFYSA-N 1 0 396.329 2.033 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)sc1C(F)(F)F ZINC000570256711 651755485 /nfs/dbraw/zinc/75/54/85/651755485.db2.gz UQJXCGBZENWLEZ-SECBINFHSA-N 1 0 378.420 2.399 20 0 GEADRO C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000570263676 651756065 /nfs/dbraw/zinc/75/60/65/651756065.db2.gz DPIRDGMSABAIHM-SDDRHHMPSA-N 1 0 396.285 2.142 20 0 GEADRO CC(C)CC[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000570271127 651756389 /nfs/dbraw/zinc/75/63/89/651756389.db2.gz VWKLAADJLSIBMI-HNNXBMFYSA-N 1 0 390.571 2.125 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000570286804 651758129 /nfs/dbraw/zinc/75/81/29/651758129.db2.gz ZWUUKDYEHJYXLO-UHFFFAOYSA-N 1 0 380.436 2.114 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCSC2(CCC2)CC1 ZINC000570305403 651759697 /nfs/dbraw/zinc/75/96/97/651759697.db2.gz OXTLGYFJAIAVPW-UHFFFAOYSA-N 1 0 386.587 2.112 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000647818217 651760716 /nfs/dbraw/zinc/76/07/16/651760716.db2.gz DNUDBAZSRPULQY-NEPJUHHUSA-N 1 0 383.286 2.349 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2C)C1 ZINC000612541784 651761062 /nfs/dbraw/zinc/76/10/62/651761062.db2.gz GFWMDCFGKPATTI-MRXNPFEDSA-N 1 0 396.329 2.316 20 0 GEADRO CN(C)c1nc2sc(C(=O)N3CCOC[C@H]3[C@H]3CCC[N@@H+]3C)cc2s1 ZINC000647822785 651761332 /nfs/dbraw/zinc/76/13/32/651761332.db2.gz YOEVDTSJTLIAIB-NEPJUHHUSA-N 1 0 380.539 2.359 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2Br)CCO1 ZINC000647875946 651764283 /nfs/dbraw/zinc/76/42/83/651764283.db2.gz NATBDUYECLUZRO-YGRLFVJLSA-N 1 0 391.693 2.446 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000570428869 651766530 /nfs/dbraw/zinc/76/65/30/651766530.db2.gz HPROQTQHNKDXFX-GFCCVEGCSA-N 1 0 378.523 2.182 20 0 GEADRO COCCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000647970498 651767910 /nfs/dbraw/zinc/76/79/10/651767910.db2.gz SZADZLINWBTFKU-GXTWGEPZSA-N 1 0 375.307 2.047 20 0 GEADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000570453655 651769076 /nfs/dbraw/zinc/76/90/76/651769076.db2.gz AAIHPKGEDKDVKC-ZDUSSCGKSA-N 1 0 387.571 2.261 20 0 GEADRO COc1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c(Br)c1 ZINC000648053523 651772060 /nfs/dbraw/zinc/77/20/60/651772060.db2.gz NICQLRKOGQBLFV-SNVBAGLBSA-N 1 0 380.246 2.054 20 0 GEADRO C[C@@]1(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000612871124 651773883 /nfs/dbraw/zinc/77/38/83/651773883.db2.gz LECLMFZQSKGCRU-SUMWQHHRSA-N 1 0 381.318 2.327 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)ccc1Cl ZINC000648106857 651774642 /nfs/dbraw/zinc/77/46/42/651774642.db2.gz CHOHCDFMYWNMQP-UHFFFAOYSA-N 1 0 380.857 2.005 20 0 GEADRO COc1ccc(Br)cc1C1(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000648191655 651775818 /nfs/dbraw/zinc/77/58/18/651775818.db2.gz VAICJBMBUJVFHH-ZDUSSCGKSA-N 1 0 383.286 2.332 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@H]1C ZINC000612952924 651776246 /nfs/dbraw/zinc/77/62/46/651776246.db2.gz GNEJAIIGLPRYPU-WQVCFCJDSA-N 1 0 382.302 2.474 20 0 GEADRO CC(C)[N@@H+]1CCCC[C@@H]1CSc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C ZINC000570645246 651780620 /nfs/dbraw/zinc/78/06/20/651780620.db2.gz DXQNPCREPAJZRM-HUUCEWRRSA-N 1 0 386.587 2.147 20 0 GEADRO O=C(CC[NH2+][C@@H](CO)Cc1cccnc1)Nc1cccc(Br)c1 ZINC000570683348 651783922 /nfs/dbraw/zinc/78/39/22/651783922.db2.gz NZFFHTXBAIARNY-MRXNPFEDSA-N 1 0 378.270 2.366 20 0 GEADRO C[C@@H](CC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)n1cc(Br)cn1 ZINC000648373564 651785079 /nfs/dbraw/zinc/78/50/79/651785079.db2.gz OHOSSVJQDSQAIW-KBPBESRZSA-N 1 0 399.333 2.308 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2s1 ZINC000735590266 651787380 /nfs/dbraw/zinc/78/73/80/651787380.db2.gz CFWHOOFJSYGBSH-ZDUSSCGKSA-N 1 0 378.523 2.413 20 0 GEADRO O=C(NCc1cnn(CC(F)(F)F)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000570736890 651787673 /nfs/dbraw/zinc/78/76/73/651787673.db2.gz JTIUZBLQVOHBCY-CQSZACIVSA-N 1 0 376.448 2.279 20 0 GEADRO Cn1c(=O)cc(CN2CCC[C@@H]2c2cccc(Br)c2)n(C)c1=O ZINC000613494189 651788385 /nfs/dbraw/zinc/78/83/85/651788385.db2.gz ZWJUZBAPZPWIOT-OAHLLOKOSA-N 1 0 378.270 2.184 20 0 GEADRO CO[C@H]1CCN(C(=O)c2c(F)cccc2I)[C@@H](C[NH3+])C1 ZINC000570792957 651791340 /nfs/dbraw/zinc/79/13/40/651791340.db2.gz FFBSWZZLBUIVIG-ZJUUUORDSA-N 1 0 392.212 2.009 20 0 GEADRO OC[C@@H](CN1CCCCC1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000570842972 651795367 /nfs/dbraw/zinc/79/53/67/651795367.db2.gz JTFLNELOMKYYFC-CABCVRRESA-N 1 0 377.312 2.170 20 0 GEADRO OC[C@H](CN1CCCCC1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000570842984 651795446 /nfs/dbraw/zinc/79/54/46/651795446.db2.gz JTFLNELOMKYYFC-LSDHHAIUSA-N 1 0 377.312 2.170 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1c2ccc(Br)cc2nn1C ZINC000648733417 651798326 /nfs/dbraw/zinc/79/83/26/651798326.db2.gz SDVHCIIFNGKQEQ-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1sccc1S(N)(=O)=O)[NH+](C)C ZINC000613839225 651799065 /nfs/dbraw/zinc/79/90/65/651799065.db2.gz UIAPNGKBWKHZLF-SWLSCSKDSA-N 1 0 381.523 2.125 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648751144 651799460 /nfs/dbraw/zinc/79/94/60/651799460.db2.gz VPBFUEWRXMEXPL-UHFFFAOYSA-N 1 0 395.301 2.130 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000570942051 651801690 /nfs/dbraw/zinc/80/16/90/651801690.db2.gz MZMFSGSSZAFTKG-IUODEOHRSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@@H](CC(=O)NC[C@]1([NH+](C)C)CCSC1)n1cc(Br)cn1 ZINC000648809034 651805265 /nfs/dbraw/zinc/80/52/65/651805265.db2.gz SVVBDRADIBIFLD-SMDDNHRTSA-N 1 0 375.336 2.150 20 0 GEADRO Brc1c[nH+]c(NCc2cnc3ccccn23)cc1N1CCOCC1 ZINC000648860839 651807061 /nfs/dbraw/zinc/80/70/61/651807061.db2.gz JCVSOLXMCXDYEZ-UHFFFAOYSA-N 1 0 388.269 2.941 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)c1[nH]nc2ccc(I)cc21 ZINC000571047928 651808168 /nfs/dbraw/zinc/80/81/68/651808168.db2.gz UKHKCDRQWBAXJK-UHFFFAOYSA-N 1 0 384.221 2.039 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cn(Cc3ccc(Cl)cc3Cl)nn1)C2 ZINC000614033160 651810214 /nfs/dbraw/zinc/81/02/14/651810214.db2.gz GAVFXKPAANTVHY-UHFFFAOYSA-N 1 0 380.279 2.411 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614065607 651811249 /nfs/dbraw/zinc/81/12/49/651811249.db2.gz QSHHGMVMAAKDMI-KRWDZBQOSA-N 1 0 385.302 2.295 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000571153867 651813850 /nfs/dbraw/zinc/81/38/50/651813850.db2.gz XMIXTXHKWJGXRV-RDJZCZTQSA-N 1 0 386.945 2.037 20 0 GEADRO Cc1ccc(CCC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(Br)c1 ZINC000649071798 651813952 /nfs/dbraw/zinc/81/39/52/651813952.db2.gz SCNBIBNJTHSAGM-AWEZNQCLSA-N 1 0 396.329 2.269 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000649077061 651815029 /nfs/dbraw/zinc/81/50/29/651815029.db2.gz KPLYMIOZOJKDJD-SNVBAGLBSA-N 1 0 382.873 2.249 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2cc(Br)ccc2o1 ZINC000649078619 651815666 /nfs/dbraw/zinc/81/56/66/651815666.db2.gz MVCOTWWUUFKSIR-NSHDSACASA-N 1 0 394.269 2.387 20 0 GEADRO CN(C)c1nc2sc(C(=O)N3CCOC4(CC[NH+](C)CC4)C3)cc2s1 ZINC000649134185 651817079 /nfs/dbraw/zinc/81/70/79/651817079.db2.gz PVLXQNLVJVEXCT-UHFFFAOYSA-N 1 0 380.539 2.361 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CSc3ccc(Cl)cc3)CC2)C1=O ZINC000571207505 651817418 /nfs/dbraw/zinc/81/74/18/651817418.db2.gz AKCUWYNKXJNADI-MRXNPFEDSA-N 1 0 381.929 2.243 20 0 GEADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000571204140 651817464 /nfs/dbraw/zinc/81/74/64/651817464.db2.gz QNSWQBPLLHWLGS-UMVBOHGHSA-N 1 0 385.302 2.213 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614258618 651819479 /nfs/dbraw/zinc/81/94/79/651819479.db2.gz DPMIGLILBMEKOH-CVEARBPZSA-N 1 0 380.286 2.300 20 0 GEADRO C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000736453831 651822269 /nfs/dbraw/zinc/82/22/69/651822269.db2.gz LASYBIMFVVMNKF-RKPUJPDHSA-N 1 0 379.595 2.367 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]CC2(c3cccc(Br)c3)CC2)CC1 ZINC000571277487 651822607 /nfs/dbraw/zinc/82/26/07/651822607.db2.gz JRAHOIGRBNXEBU-UHFFFAOYSA-N 1 0 388.327 2.010 20 0 GEADRO Cc1nc(NCc2nn(C)cc2Cl)cc(NCc2nn(C)cc2Cl)[nH+]1 ZINC000649424347 651826270 /nfs/dbraw/zinc/82/62/70/651826270.db2.gz ZAGRSFPOPNEJCH-UHFFFAOYSA-N 1 0 381.271 2.783 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000571343750 651827048 /nfs/dbraw/zinc/82/70/48/651827048.db2.gz JVMQQDXYHLBIQO-RYUDHWBXSA-N 1 0 395.294 2.358 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000571341105 651827191 /nfs/dbraw/zinc/82/71/91/651827191.db2.gz IWGVNSZHCKPMRN-OAHLLOKOSA-N 1 0 384.318 2.404 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000571417956 651831917 /nfs/dbraw/zinc/83/19/17/651831917.db2.gz UKLROSMKCMVHKH-UHFFFAOYSA-N 1 0 377.286 2.349 20 0 GEADRO CCC[N@H+](C)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)c1ccc(Cl)cc1 ZINC000614675382 651832102 /nfs/dbraw/zinc/83/21/02/651832102.db2.gz VSJIZXRBDBPCME-XJKSGUPXSA-N 1 0 389.949 2.167 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000571439565 651832889 /nfs/dbraw/zinc/83/28/89/651832889.db2.gz QVYMFEDEGQXEIP-TUAOUCFPSA-N 1 0 390.297 2.164 20 0 GEADRO Cc1cc(C[N@H+](C[C@H](O)CC(F)(F)F)C2CC2)cc(S(N)(=O)=O)c1C ZINC000649745287 651833798 /nfs/dbraw/zinc/83/37/98/651833798.db2.gz ICLXNIRKZMYELM-CQSZACIVSA-N 1 0 380.432 2.229 20 0 GEADRO CC[N@H+](CCNc1ncc(I)cn1)CCC(F)(F)F ZINC000571472965 651834360 /nfs/dbraw/zinc/83/43/60/651834360.db2.gz PRDLHHZGHGJBIB-UHFFFAOYSA-N 1 0 388.175 2.767 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000571505005 651836654 /nfs/dbraw/zinc/83/66/54/651836654.db2.gz GQVUBSHFQJZLOD-SNVBAGLBSA-N 1 0 390.253 2.487 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000614793627 651838628 /nfs/dbraw/zinc/83/86/28/651838628.db2.gz LOAOTRPRZJYYBC-ZDUSSCGKSA-N 1 0 393.289 2.029 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000571552357 651839481 /nfs/dbraw/zinc/83/94/81/651839481.db2.gz JXCINCVJFFDYMW-QGZVFWFLSA-N 1 0 387.929 2.337 20 0 GEADRO C[C@H](C[S@](C)=O)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000571552347 651839535 /nfs/dbraw/zinc/83/95/35/651839535.db2.gz JTNJZWIMFCGVAA-SSBAMLGTSA-N 1 0 384.723 2.199 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)Cc3ccc(Br)c(F)c3)[C@@H]2C1 ZINC000650013977 651841742 /nfs/dbraw/zinc/84/17/42/651841742.db2.gz QPOSXOKRIFEGNL-SMDDNHRTSA-N 1 0 377.279 2.054 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000571640594 651845348 /nfs/dbraw/zinc/84/53/48/651845348.db2.gz HZAUDRXUSHLQNK-ZJUUUORDSA-N 1 0 382.258 2.027 20 0 GEADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000571657238 651846857 /nfs/dbraw/zinc/84/68/57/651846857.db2.gz ZQPOFSQJUPKOIO-CQSZACIVSA-N 1 0 387.311 2.046 20 0 GEADRO COc1cc(F)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c(F)c1 ZINC000614987279 651847276 /nfs/dbraw/zinc/84/72/76/651847276.db2.gz PMJJUULPALDPCB-CABCVRRESA-N 1 0 392.493 2.174 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000650198791 651847515 /nfs/dbraw/zinc/84/75/15/651847515.db2.gz YYNBAQWAVWOYPB-WCQYABFASA-N 1 0 389.315 2.172 20 0 GEADRO NC(=O)c1ncc(Br)cc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000571683732 651848159 /nfs/dbraw/zinc/84/81/59/651848159.db2.gz LJWIUFFLFJLVCN-UHFFFAOYSA-N 1 0 375.270 2.265 20 0 GEADRO O=c1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)nc2ccc(Br)cn12 ZINC000650215703 651849348 /nfs/dbraw/zinc/84/93/48/651849348.db2.gz JSAYBVISKPEOSI-KRWDZBQOSA-N 1 0 378.270 2.460 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)CCCc2ccccc2Br)CC1=O ZINC000650306740 651855119 /nfs/dbraw/zinc/85/51/19/651855119.db2.gz ZXROMBYHFGBAPT-UHFFFAOYSA-N 1 0 396.329 2.004 20 0 GEADRO COC(=O)[C@@](C)(NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000571809734 651855454 /nfs/dbraw/zinc/85/54/54/651855454.db2.gz YYUCOWKESHUNLX-DYVFJYSZSA-N 1 0 375.296 2.426 20 0 GEADRO COc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000615261602 651858085 /nfs/dbraw/zinc/85/80/85/651858085.db2.gz RJEGFOWJRUGARU-LSDHHAIUSA-N 1 0 383.286 2.393 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000571866964 651858465 /nfs/dbraw/zinc/85/84/65/651858465.db2.gz XDUBJIRJKKOZIY-MRXNPFEDSA-N 1 0 383.945 2.461 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000571882665 651859951 /nfs/dbraw/zinc/85/99/51/651859951.db2.gz VFBMMDGQNLVZGS-CQSZACIVSA-N 1 0 396.340 2.104 20 0 GEADRO O=C(CC[NH2+]C[C@@H]1CCCCN1CCO)Nc1ccc(Br)cc1 ZINC000571882028 651860023 /nfs/dbraw/zinc/86/00/23/651860023.db2.gz LTOHICHHXOBVPB-INIZCTEOSA-N 1 0 384.318 2.214 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000615304379 651861069 /nfs/dbraw/zinc/86/10/69/651861069.db2.gz XYTKYLOEOAGNNM-FZMZJTMJSA-N 1 0 378.274 2.194 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CCn1cc(Br)cn1)Cc1ccccc1 ZINC000615331259 651861532 /nfs/dbraw/zinc/86/15/32/651861532.db2.gz MKVZZZFJYGCVTK-MRXNPFEDSA-N 1 0 379.302 2.325 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000615319563 651861583 /nfs/dbraw/zinc/86/15/83/651861583.db2.gz RZZCEOQAXUBBFE-SRMUXQRQSA-N 1 0 382.302 2.473 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000615319561 651861607 /nfs/dbraw/zinc/86/16/07/651861607.db2.gz RZZCEOQAXUBBFE-MPESAESLSA-N 1 0 382.302 2.473 20 0 GEADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000571917124 651861530 /nfs/dbraw/zinc/86/15/30/651861530.db2.gz FQZKTURWVAITNO-WBMJQRKESA-N 1 0 377.242 2.115 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000615314622 651861661 /nfs/dbraw/zinc/86/16/61/651861661.db2.gz PBRBVGQAYCWHHF-MFKMUULPSA-N 1 0 389.315 2.017 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000615319562 651861676 /nfs/dbraw/zinc/86/16/76/651861676.db2.gz RZZCEOQAXUBBFE-MWNCTCPHSA-N 1 0 382.302 2.473 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000571982803 651865167 /nfs/dbraw/zinc/86/51/67/651865167.db2.gz HNSLCBXRMSOUNV-QMMMGPOBSA-N 1 0 392.681 2.293 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCN(CC(F)F)C1)COc1cc(F)cc(Br)c1 ZINC000571994364 651866196 /nfs/dbraw/zinc/86/61/96/651866196.db2.gz OWTQSICMNLTBTH-STQMWFEESA-N 1 0 397.235 2.257 20 0 GEADRO COCC[N@@H+]1CCN(C(=O)C[C@@H](C)n2cc(Br)cn2)C(C)(C)C1 ZINC000650828379 651867234 /nfs/dbraw/zinc/86/72/34/651867234.db2.gz GANKVCBDYUDBBK-CYBMUJFWSA-N 1 0 387.322 2.166 20 0 GEADRO COCC[N@@H+]1CCN(C(=O)CCOCC(F)(F)C(F)(F)F)C(C)(C)C1 ZINC000650829624 651867568 /nfs/dbraw/zinc/86/75/68/651867568.db2.gz ZMKXPFFJUHJSMU-UHFFFAOYSA-N 1 0 376.366 2.160 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000572082711 651871786 /nfs/dbraw/zinc/87/17/86/651871786.db2.gz ONLSMHONGIMWKC-WMLDXEAASA-N 1 0 377.312 2.306 20 0 GEADRO C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1ccccc1Br ZINC000572104641 651873351 /nfs/dbraw/zinc/87/33/51/651873351.db2.gz PPLKJWMVDIJSLN-MCIONIFRSA-N 1 0 382.302 2.467 20 0 GEADRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(I)cc1 ZINC000615761596 651874605 /nfs/dbraw/zinc/87/46/05/651874605.db2.gz PXGUUDJFRHONCP-JTQLQIEISA-N 1 0 379.263 2.377 20 0 GEADRO Cc1c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)nnn1-c1cccc(Br)c1 ZINC000572148581 651875936 /nfs/dbraw/zinc/87/59/36/651875936.db2.gz MAYMAKPOJOOLID-JRPNMDOOSA-N 1 0 392.301 2.455 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)Cn1cccn1 ZINC000572274519 651882467 /nfs/dbraw/zinc/88/24/67/651882467.db2.gz FLOBMXXGPVPVKA-YOEHRIQHSA-N 1 0 379.302 2.123 20 0 GEADRO Cc1c2cc(C(=O)NCC[NH+]3CCC(O)CC3)[nH]c2ccc1Br ZINC000615990733 651887420 /nfs/dbraw/zinc/88/74/20/651887420.db2.gz IWDPGOOJWGTSRQ-UHFFFAOYSA-N 1 0 380.286 2.425 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000572393013 651889469 /nfs/dbraw/zinc/88/94/69/651889469.db2.gz RPKWBQHRIIFBHV-GZBFAFLISA-N 1 0 394.313 2.436 20 0 GEADRO [NH3+]C1(CNC(=O)CS(=O)(=O)c2cccc(Br)c2)CCCCC1 ZINC000572404420 651890337 /nfs/dbraw/zinc/89/03/37/651890337.db2.gz JQIJGAGCTCWXRH-UHFFFAOYSA-N 1 0 389.315 2.001 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000572403583 651890441 /nfs/dbraw/zinc/89/04/41/651890441.db2.gz RVCUUQGLQLZVHT-RNFRBKRXSA-N 1 0 391.209 2.362 20 0 GEADRO Cn1cc(Br)c(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)n1 ZINC000572465663 651894018 /nfs/dbraw/zinc/89/40/18/651894018.db2.gz MVSYUQJQOIKPBR-UHFFFAOYSA-N 1 0 377.286 2.247 20 0 GEADRO C[NH+](C)CCN1CCN(Cc2ccnc3c(Br)cccc23)CC1=O ZINC000651891945 651898848 /nfs/dbraw/zinc/89/88/48/651898848.db2.gz WVTKOYVDDAJXQM-UHFFFAOYSA-N 1 0 391.313 2.203 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)[C@@H]2C1 ZINC000616420928 651898994 /nfs/dbraw/zinc/89/89/94/651898994.db2.gz WLPJCEMTIBIFCM-DXEWXGHRSA-N 1 0 394.313 2.474 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)c(OCC[NH+](C)C)c1 ZINC000739067764 651899989 /nfs/dbraw/zinc/89/99/89/651899989.db2.gz MJBANOPUUWQDBZ-GFCCVEGCSA-N 1 0 388.295 2.184 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N(C)C1CCOCC1 ZINC000739942306 651910088 /nfs/dbraw/zinc/91/00/88/651910088.db2.gz XYDZWRSTHFODGV-UHFFFAOYSA-N 1 0 389.587 2.248 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)s1 ZINC000572752794 651910101 /nfs/dbraw/zinc/91/01/01/651910101.db2.gz IUFCSRLSBUWATC-ZDUSSCGKSA-N 1 0 389.926 2.472 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000652292483 651913811 /nfs/dbraw/zinc/91/38/11/651913811.db2.gz UEHGGGBBYVHRFQ-UHFFFAOYSA-N 1 0 386.265 2.471 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)COC1CCOCC1 ZINC000572834599 651916005 /nfs/dbraw/zinc/91/60/05/651916005.db2.gz RRNSZHDDZJWXHB-DOTOQJQBSA-N 1 0 399.329 2.174 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)COC1CCOCC1 ZINC000572834601 651916065 /nfs/dbraw/zinc/91/60/65/651916065.db2.gz RRNSZHDDZJWXHB-RDJZCZTQSA-N 1 0 399.329 2.174 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(CCS(=O)(=O)c1cccc(Br)c1)C2 ZINC000652352141 651916210 /nfs/dbraw/zinc/91/62/10/651916210.db2.gz 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Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724821 651921972 /nfs/dbraw/zinc/92/19/72/651921972.db2.gz NJXAFWLITZGBAI-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000572943749 651923323 /nfs/dbraw/zinc/92/33/23/651923323.db2.gz UEGSADOQQRUKLC-DOMZBBRYSA-N 1 0 395.301 2.089 20 0 GEADRO CC[NH2+]CCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000572959829 651925068 /nfs/dbraw/zinc/92/50/68/651925068.db2.gz DTMUPGJHHWNUKY-ZDUSSCGKSA-N 1 0 376.906 2.033 20 0 GEADRO CCc1n[nH]c(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000617110466 651925705 /nfs/dbraw/zinc/92/57/05/651925705.db2.gz PNNLNBNBDOXYIU-UHFFFAOYSA-N 1 0 399.333 2.355 20 0 GEADRO COCC[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2O)C(C)(C)C1 ZINC000652927132 651926456 /nfs/dbraw/zinc/92/64/56/651926456.db2.gz ZLFXIRSTEXBMKE-UHFFFAOYSA-N 1 0 385.302 2.266 20 0 GEADRO O=C(Nc1ccc(I)cc1F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000573021764 651929018 /nfs/dbraw/zinc/92/90/18/651929018.db2.gz 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Cc1cccc(Br)c1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000574949941 652054158 /nfs/dbraw/zinc/05/41/58/652054158.db2.gz ZVWABKGHKNJGDY-UHFFFAOYSA-N 1 0 396.329 2.288 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000574953122 652054741 /nfs/dbraw/zinc/05/47/41/652054741.db2.gz GNBGMZLKOFFRHA-AWEZNQCLSA-N 1 0 387.933 2.273 20 0 GEADRO CC1(C)[C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)[C@H]2CCO[C@@H]21 ZINC000575000303 652057970 /nfs/dbraw/zinc/05/79/70/652057970.db2.gz NRORSWXSANFFOV-LYRGGWFBSA-N 1 0 386.901 2.085 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cccc(Br)c2N)CC1 ZINC000744787209 652060552 /nfs/dbraw/zinc/06/05/52/652060552.db2.gz ABQHHNVWGCURIH-UHFFFAOYSA-N 1 0 398.301 2.177 20 0 GEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656896714 652064970 /nfs/dbraw/zinc/06/49/70/652064970.db2.gz LDZHUNVGHUNUOE-LLVKDONJSA-N 1 0 379.295 2.349 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)NCCOc2ccc(Br)cc2)n1 ZINC000575193793 652068071 /nfs/dbraw/zinc/06/80/71/652068071.db2.gz QYFJQTRUHKOFNS-UHFFFAOYSA-N 1 0 381.274 2.016 20 0 GEADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ncccc2Br)CC1 ZINC000656942155 652070533 /nfs/dbraw/zinc/07/05/33/652070533.db2.gz UFXXAWWMGGSCEP-UHFFFAOYSA-N 1 0 376.320 2.243 20 0 GEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656960999 652075427 /nfs/dbraw/zinc/07/54/27/652075427.db2.gz DIVBZHGBQBXCLM-UHFFFAOYSA-N 1 0 379.295 2.444 20 0 GEADRO CO[C@H](CS(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000656963523 652075954 /nfs/dbraw/zinc/07/59/54/652075954.db2.gz YGPOMFOEHHNDJB-IAGOWNOFSA-N 1 0 376.563 2.002 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ncccc1Br ZINC000656967576 652077559 /nfs/dbraw/zinc/07/75/59/652077559.db2.gz ZBOQVZVFTHHMAU-NEPJUHHUSA-N 1 0 376.320 2.243 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000575814913 652079664 /nfs/dbraw/zinc/07/96/64/652079664.db2.gz AGYINXLJKJBICD-GFCCVEGCSA-N 1 0 383.283 2.249 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000619894733 652083598 /nfs/dbraw/zinc/08/35/98/652083598.db2.gz OPLHFVNYNKPRAW-AWEZNQCLSA-N 1 0 385.555 2.137 20 0 GEADRO COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000575883885 652084527 /nfs/dbraw/zinc/08/45/27/652084527.db2.gz FQXAOGKZIIGXKC-ABAIWWIYSA-N 1 0 399.285 2.082 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000657008880 652085681 /nfs/dbraw/zinc/08/56/81/652085681.db2.gz GDOGXWTWOSUDBZ-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1cc(F)ccc1Cl)CCO2 ZINC000657019534 652088388 /nfs/dbraw/zinc/08/83/88/652088388.db2.gz BMAOOCARHUKDKG-UHFFFAOYSA-N 1 0 376.881 2.106 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000657060554 652097458 /nfs/dbraw/zinc/09/74/58/652097458.db2.gz IEKZEIJOMYVSDG-LBPRGKRZSA-N 1 0 385.917 2.376 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000576339573 652107968 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O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000576465511 652120566 /nfs/dbraw/zinc/12/05/66/652120566.db2.gz FTGRIXYIOLYDNF-HNNXBMFYSA-N 1 0 392.253 2.355 20 0 GEADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000576487627 652121550 /nfs/dbraw/zinc/12/15/50/652121550.db2.gz TTWRBIIHHNRHEJ-CQSZACIVSA-N 1 0 382.917 2.335 20 0 GEADRO CC[C@@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@H](C)[NH2+]1 ZINC000620906957 652126456 /nfs/dbraw/zinc/12/64/56/652126456.db2.gz ZXMQLURWYNAUTI-WCQYABFASA-N 1 0 383.286 2.362 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)[C@H]1Sc1ccccc1 ZINC000576562791 652127377 /nfs/dbraw/zinc/12/73/77/652127377.db2.gz LACXQCSCPVALEB-VDHUWJSZSA-N 1 0 384.567 2.338 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCC1CC[NH+](CC2CC2)CC1 ZINC000620927503 652127761 /nfs/dbraw/zinc/12/77/61/652127761.db2.gz QDRXJUIRAGRIMO-UHFFFAOYSA-N 1 0 384.929 2.352 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)([NH+](C)C)C1 ZINC000576647311 652134220 /nfs/dbraw/zinc/13/42/20/652134220.db2.gz PUQXINGYGPPPIN-SJCJKPOMSA-N 1 0 387.933 2.228 20 0 GEADRO NC(=O)c1c[nH+]ccc1NCc1ccc(I)cc1Cl ZINC000576682647 652136948 /nfs/dbraw/zinc/13/69/48/652136948.db2.gz AHUTZUILQWEQGQ-UHFFFAOYSA-N 1 0 387.608 2.473 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000576703512 652138847 /nfs/dbraw/zinc/13/88/47/652138847.db2.gz JIEIBUWPRKRAAJ-CQSZACIVSA-N 1 0 381.523 2.257 20 0 GEADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000657160966 652139575 /nfs/dbraw/zinc/13/95/75/652139575.db2.gz MTPCOGMUTUUITQ-AWEZNQCLSA-N 1 0 385.917 2.124 20 0 GEADRO CNS(=O)(=O)CC[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000621290343 652142924 /nfs/dbraw/zinc/14/29/24/652142924.db2.gz HDCLZYLXUIJILI-UHFFFAOYSA-N 1 0 375.332 2.352 20 0 GEADRO O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000747136963 652144164 /nfs/dbraw/zinc/14/41/64/652144164.db2.gz TZWLLROZDBPHKK-INIZCTEOSA-N 1 0 380.535 2.165 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ccc(Br)cn1 ZINC000657180594 652144347 /nfs/dbraw/zinc/14/43/47/652144347.db2.gz ZUCNDVHDUWIYTB-LBPRGKRZSA-N 1 0 376.320 2.243 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cncc(Br)c1 ZINC000657180409 652144452 /nfs/dbraw/zinc/14/44/52/652144452.db2.gz HRXPBMQMYSIKDI-GFCCVEGCSA-N 1 0 376.320 2.243 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC1CC[NH2+]CC1 ZINC000621469087 652157281 /nfs/dbraw/zinc/15/72/81/652157281.db2.gz GILQYXKTJDKFSW-OAHLLOKOSA-N 1 0 382.302 2.072 20 0 GEADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(F)F)c(Cl)c1 ZINC000747329757 652157488 /nfs/dbraw/zinc/15/74/88/652157488.db2.gz VKTAJRHHWJLKBO-QWRGUYRKSA-N 1 0 396.843 2.083 20 0 GEADRO COc1cc(C[NH2+]Cc2cncc(Br)c2C)ccc1OCC(N)=O ZINC000657333583 652160950 /nfs/dbraw/zinc/16/09/50/652160950.db2.gz PQQJJXQPDODUSP-UHFFFAOYSA-N 1 0 394.269 2.315 20 0 GEADRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000657332113 652161153 /nfs/dbraw/zinc/16/11/53/652161153.db2.gz BTVDEEWJDBFJPY-UHFFFAOYSA-N 1 0 396.822 2.160 20 0 GEADRO Cc1c(Br)cncc1C[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000657383956 652163334 /nfs/dbraw/zinc/16/33/34/652163334.db2.gz PLUBARJHQIQABJ-BMIGLBTASA-N 1 0 378.274 2.170 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2c(C3CCC3)cnn2C)c(C)s1 ZINC000657413703 652164017 /nfs/dbraw/zinc/16/40/17/652164017.db2.gz PKAWMUFLNABZNO-UHFFFAOYSA-N 1 0 382.555 2.434 20 0 GEADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(Br)c[nH]c1=O ZINC000621629133 652165558 /nfs/dbraw/zinc/16/55/58/652165558.db2.gz VDVRSSFTHLYBJA-UHFFFAOYSA-N 1 0 391.269 2.339 20 0 GEADRO O=C(NCCC[NH2+]Cc1cccnc1)c1cc2c(cc1Br)OCO2 ZINC000621621174 652165610 /nfs/dbraw/zinc/16/56/10/652165610.db2.gz VEUMVYJQABYIFG-UHFFFAOYSA-N 1 0 392.253 2.483 20 0 GEADRO O=C(CC[C@@H]1CCC[NH2+]C1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000621630498 652165809 /nfs/dbraw/zinc/16/58/09/652165809.db2.gz FLTAAPOKQCKKOY-AWEZNQCLSA-N 1 0 396.329 2.465 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1Cl ZINC000657456150 652166171 /nfs/dbraw/zinc/16/61/71/652166171.db2.gz PHSYNFWENVQGIP-UHFFFAOYSA-N 1 0 383.905 2.115 20 0 GEADRO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H](O)COc1ccccc1Br ZINC000621639545 652166781 /nfs/dbraw/zinc/16/67/81/652166781.db2.gz YIEVIOLFNSPNBJ-KGLIPLIRSA-N 1 0 385.302 2.085 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CCO1 ZINC000621851364 652169389 /nfs/dbraw/zinc/16/93/89/652169389.db2.gz RVFCZBRSFXCTMG-GWCFXTLKSA-N 1 0 392.244 2.299 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)c[nH]c1=O ZINC000621920449 652169993 /nfs/dbraw/zinc/16/99/93/652169993.db2.gz CFTQUIZGHGLQFB-CABCVRRESA-N 1 0 398.301 2.047 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc(C)c1Br ZINC000577214664 652170638 /nfs/dbraw/zinc/17/06/38/652170638.db2.gz XBPUNENZOWVLQG-UHFFFAOYSA-N 1 0 380.286 2.359 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c2ncccc12)[NH+](C)C ZINC000657530303 652170744 /nfs/dbraw/zinc/17/07/44/652170744.db2.gz ARYDIPOQEGZQTG-SNVBAGLBSA-N 1 0 379.258 2.002 20 0 GEADRO CO[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCOC1 ZINC000657543217 652171231 /nfs/dbraw/zinc/17/12/31/652171231.db2.gz RYZKLPOABCFYGA-WBMJQRKESA-N 1 0 381.274 2.171 20 0 GEADRO COC[C@@H](CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)OC ZINC000657554446 652172581 /nfs/dbraw/zinc/17/25/81/652172581.db2.gz QCTOSDQOGWREFT-MRXNPFEDSA-N 1 0 387.318 2.427 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000657564039 652173529 /nfs/dbraw/zinc/17/35/29/652173529.db2.gz RZRXLLOJWNXGTD-GFCCVEGCSA-N 1 0 390.347 2.059 20 0 GEADRO CCc1nn(C)c(CC)c1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657564642 652174249 /nfs/dbraw/zinc/17/42/49/652174249.db2.gz XQSCXGLFGPWLDR-UHFFFAOYSA-N 1 0 394.317 2.222 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1Br ZINC000622013416 652174517 /nfs/dbraw/zinc/17/45/17/652174517.db2.gz PCSGBJDBIKVDBR-NHYWBVRUSA-N 1 0 389.315 2.350 20 0 GEADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(F)c(Br)cc1F)C2 ZINC000622014432 652175004 /nfs/dbraw/zinc/17/50/04/652175004.db2.gz DYYPSIQDNLERKZ-AMIZOPFISA-N 1 0 381.242 2.229 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000657579590 652176023 /nfs/dbraw/zinc/17/60/23/652176023.db2.gz FDPPSOSQNOIQLT-LLVKDONJSA-N 1 0 391.269 2.146 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657592330 652177152 /nfs/dbraw/zinc/17/71/52/652177152.db2.gz STPNZFSHLJVJJP-NSHDSACASA-N 1 0 386.265 2.373 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCCC[NH+](C)C)c1 ZINC000747764758 652177976 /nfs/dbraw/zinc/17/79/76/652177976.db2.gz VNHFVXPXZHLEQK-UHFFFAOYSA-N 1 0 376.906 2.479 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000657601509 652178113 /nfs/dbraw/zinc/17/81/13/652178113.db2.gz QGXJFNJJARPWDV-HNNXBMFYSA-N 1 0 396.329 2.397 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](C)C1(CO)CC1 ZINC000657608854 652179448 /nfs/dbraw/zinc/17/94/48/652179448.db2.gz ZEBUFWCRGCFVQX-RYUDHWBXSA-N 1 0 385.302 2.213 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657623514 652180782 /nfs/dbraw/zinc/18/07/82/652180782.db2.gz INJWWZCYPFSFGT-UHFFFAOYSA-N 1 0 386.265 2.327 20 0 GEADRO C[C@H]1CC[C@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)CS1(=O)=O ZINC000657636768 652183050 /nfs/dbraw/zinc/18/30/50/652183050.db2.gz IQKFHTAMGJRXIV-GJZGRUSLSA-N 1 0 385.961 2.147 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000577380988 652183357 /nfs/dbraw/zinc/18/33/57/652183357.db2.gz ILVUYYOJCCGMAS-UHFFFAOYSA-N 1 0 388.331 2.056 20 0 GEADRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)O1 ZINC000657669216 652189028 /nfs/dbraw/zinc/18/90/28/652189028.db2.gz LPDJBCHOMSUJRA-JQWIXIFHSA-N 1 0 377.304 2.144 20 0 GEADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cn1 ZINC000657687316 652191021 /nfs/dbraw/zinc/19/10/21/652191021.db2.gz HEKSVVDXQFKZAO-GOEBONIOSA-N 1 0 382.917 2.222 20 0 GEADRO CC(=O)NCC[N@@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000577494515 652192978 /nfs/dbraw/zinc/19/29/78/652192978.db2.gz YHMPPRZFTKQSHG-UHFFFAOYSA-N 1 0 379.096 2.362 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1(C(F)(F)F)CCCCC1 ZINC000577530455 652195400 /nfs/dbraw/zinc/19/54/00/652195400.db2.gz KRGNMSHCQLGGMQ-NSHDSACASA-N 1 0 375.357 2.452 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Br)c2F)C[N@@H+]1C1CC1 ZINC000657722919 652196366 /nfs/dbraw/zinc/19/63/66/652196366.db2.gz LOPJDVHUQNYRAW-UWVGGRQHSA-N 1 0 384.249 2.268 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657729694 652198254 /nfs/dbraw/zinc/19/82/54/652198254.db2.gz QPLUNMBJTOFNIP-TVQRCGJNSA-N 1 0 384.249 2.126 20 0 GEADRO O=C(C[C@H]1CCC[NH2+]1)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000577607961 652201582 /nfs/dbraw/zinc/20/15/82/652201582.db2.gz KUXAVDYBZDUGGY-CQSZACIVSA-N 1 0 393.285 2.386 20 0 GEADRO CO[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCCC1 ZINC000657766587 652202913 /nfs/dbraw/zinc/20/29/13/652202913.db2.gz DELSPYAGKKZRBR-CQSZACIVSA-N 1 0 391.331 2.391 20 0 GEADRO CC[NH+](CC)CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000622860964 652204308 /nfs/dbraw/zinc/20/43/08/652204308.db2.gz HZRBILOZRJUAPJ-UHFFFAOYSA-N 1 0 396.340 2.120 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)c(=O)n(C)c1=O ZINC000657784574 652206112 /nfs/dbraw/zinc/20/61/12/652206112.db2.gz YFMRENUFMYNEAE-MRXNPFEDSA-N 1 0 392.297 2.404 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)cc1Cl ZINC000657807131 652207576 /nfs/dbraw/zinc/20/75/76/652207576.db2.gz OGCPHVWZHHBSOW-MRXNPFEDSA-N 1 0 379.913 2.352 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@@H+]1C ZINC000657856154 652210959 /nfs/dbraw/zinc/21/09/59/652210959.db2.gz LQNUFDRCDQACTP-WDEREUQCSA-N 1 0 386.265 2.468 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000577742202 652212364 /nfs/dbraw/zinc/21/23/64/652212364.db2.gz DGUKRGCSKNXRCU-HOCLYGCPSA-N 1 0 385.302 2.322 20 0 GEADRO O=C(CN1CCC(CO)([NH2+]CC2CC2)CC1)Nc1ccc(Br)cc1 ZINC000577756959 652213760 /nfs/dbraw/zinc/21/37/60/652213760.db2.gz FHNRDMUMNOZEJB-UHFFFAOYSA-N 1 0 396.329 2.214 20 0 GEADRO O=C(CN[C@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000577839688 652220456 /nfs/dbraw/zinc/22/04/56/652220456.db2.gz IJBKNKHOUPXINR-KRWDZBQOSA-N 1 0 378.270 2.153 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000577843527 652221173 /nfs/dbraw/zinc/22/11/73/652221173.db2.gz BNCQWYXRHQYGBG-UHOFOFEASA-N 1 0 394.313 2.009 20 0 GEADRO C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)N(C)C1CC1 ZINC000577859151 652223458 /nfs/dbraw/zinc/22/34/58/652223458.db2.gz NNYQVISSBNUDLA-GFCCVEGCSA-N 1 0 375.332 2.295 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@@H+](C2CC2)C1 ZINC000657978015 652224195 /nfs/dbraw/zinc/22/41/95/652224195.db2.gz JOXCJVBOLNFZEO-LLVKDONJSA-N 1 0 398.276 2.469 20 0 GEADRO COC[C@H](CC1CCOCC1)[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000657988771 652226430 /nfs/dbraw/zinc/22/64/30/652226430.db2.gz FWXZZVVIZTZGRP-KRWDZBQOSA-N 1 0 376.563 2.000 20 0 GEADRO C[C@H]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)c2ccsc2S1(=O)=O ZINC000577929316 652228966 /nfs/dbraw/zinc/22/89/66/652228966.db2.gz WINBUUHBXBSXRD-WFASDCNBSA-N 1 0 379.507 2.393 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccccc2SC(F)F)CCSC1 ZINC000748985611 652229368 /nfs/dbraw/zinc/22/93/68/652229368.db2.gz KOLJIYDROWBXRZ-INIZCTEOSA-N 1 0 389.493 2.493 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)c3ncccc23)CC1 ZINC000658018776 652231158 /nfs/dbraw/zinc/23/11/58/652231158.db2.gz LKLUKCUBDIZYSU-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO Cc1cc(CNCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ncc1Br ZINC000623394944 652234389 /nfs/dbraw/zinc/23/43/89/652234389.db2.gz YRRHLODPFRCVJQ-INIZCTEOSA-N 1 0 383.334 2.185 20 0 GEADRO COC[C@]1(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)CCC[NH2+]1 ZINC000578006195 652234826 /nfs/dbraw/zinc/23/48/26/652234826.db2.gz ZMZVAYGDOHRJNE-QGZVFWFLSA-N 1 0 393.285 2.133 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1 ZINC000658076794 652234940 /nfs/dbraw/zinc/23/49/40/652234940.db2.gz FGYYQKKKQUFTRE-CQSZACIVSA-N 1 0 388.555 2.314 20 0 GEADRO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658079484 652235093 /nfs/dbraw/zinc/23/50/93/652235093.db2.gz YMVCYVQFHRZREL-LBPRGKRZSA-N 1 0 377.503 2.095 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000578012096 652235593 /nfs/dbraw/zinc/23/55/93/652235593.db2.gz SPFSXSYULMXPFO-LLVKDONJSA-N 1 0 397.324 2.378 20 0 GEADRO COc1cccc(C[C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)n1 ZINC000658091497 652235761 /nfs/dbraw/zinc/23/57/61/652235761.db2.gz FPQDHQXKJSMUJF-GFCCVEGCSA-N 1 0 393.285 2.198 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)ccn1 ZINC000658091802 652235772 /nfs/dbraw/zinc/23/57/72/652235772.db2.gz IFSGPOXBFWGFOQ-LLVKDONJSA-N 1 0 379.258 2.328 20 0 GEADRO COC[C@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658092676 652236204 /nfs/dbraw/zinc/23/62/04/652236204.db2.gz PQANANMNRDMNLK-INIZCTEOSA-N 1 0 392.297 2.421 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=S)NC1CC[NH+](C)CC1 ZINC000749110207 652236254 /nfs/dbraw/zinc/23/62/54/652236254.db2.gz ULTBPUUVXAXZSZ-UHFFFAOYSA-N 1 0 399.358 2.254 20 0 GEADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ncc(Br)cc2F)C1 ZINC000623415397 652236259 /nfs/dbraw/zinc/23/62/59/652236259.db2.gz KGIJQXBELYVVQK-LBPRGKRZSA-N 1 0 393.260 2.451 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1cscc1Br)C2 ZINC000578018316 652236273 /nfs/dbraw/zinc/23/62/73/652236273.db2.gz IPFHCZDNPKLYAP-JTQLQIEISA-N 1 0 384.299 2.295 20 0 GEADRO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)cn1 ZINC000658095786 652236370 /nfs/dbraw/zinc/23/63/70/652236370.db2.gz MACAHAXWYGICIL-LBPRGKRZSA-N 1 0 393.285 2.198 20 0 GEADRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658095206 652236518 /nfs/dbraw/zinc/23/65/18/652236518.db2.gz FCHQBUAETDAEHY-OAHLLOKOSA-N 1 0 380.290 2.085 20 0 GEADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658148697 652239377 /nfs/dbraw/zinc/23/93/77/652239377.db2.gz OLCVBAZJDTXPNO-MLGOLLRUSA-N 1 0 376.266 2.277 20 0 GEADRO OCCO[C@]1(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CCOC1 ZINC000658149582 652240012 /nfs/dbraw/zinc/24/00/12/652240012.db2.gz UCDDFHIAANVNKX-WBVHZDCISA-N 1 0 386.286 2.420 20 0 GEADRO COc1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)ccc1Br ZINC000623479319 652240274 /nfs/dbraw/zinc/24/02/74/652240274.db2.gz OMXKGBPXKFSPHN-CQSZACIVSA-N 1 0 383.286 2.395 20 0 GEADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000658204925 652243385 /nfs/dbraw/zinc/24/33/85/652243385.db2.gz DRHWWQFWUIGPDJ-AWEZNQCLSA-N 1 0 388.555 2.456 20 0 GEADRO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C(=O)NCCF ZINC000623515357 652243656 /nfs/dbraw/zinc/24/36/56/652243656.db2.gz ZVBCRNYCTLCDFT-MRVPVSSYSA-N 1 0 375.267 2.465 20 0 GEADRO O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000623542869 652246102 /nfs/dbraw/zinc/24/61/02/652246102.db2.gz VFQWNRWCXSVLBJ-GASCZTMLSA-N 1 0 375.296 2.317 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658249931 652247510 /nfs/dbraw/zinc/24/75/10/652247510.db2.gz GQVMVRPHNJNJPQ-PWSUYJOCSA-N 1 0 391.331 2.156 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)CCCC1 ZINC000749348338 652247859 /nfs/dbraw/zinc/24/78/59/652247859.db2.gz VEIIXFOISJZZAK-UHFFFAOYSA-N 1 0 393.289 2.029 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749389082 652250852 /nfs/dbraw/zinc/25/08/52/652250852.db2.gz HBNPIAQCMDCLFB-UHFFFAOYSA-N 1 0 395.305 2.277 20 0 GEADRO CCn1nnc(C)c1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623645388 652251106 /nfs/dbraw/zinc/25/11/06/652251106.db2.gz ZYWJWNBCVUTSMR-QGZVFWFLSA-N 1 0 379.302 2.379 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)[C@H]1OC ZINC000578187508 652251111 /nfs/dbraw/zinc/25/11/11/652251111.db2.gz GCYOJGDCTKYDPX-SLBVQIDZSA-N 1 0 392.265 2.110 20 0 GEADRO C[C@H]1C[C@H](NC(=O)c2ccc3ncc(I)n3c2)CC[N@@H+]1C ZINC000749399954 652251484 /nfs/dbraw/zinc/25/14/84/652251484.db2.gz LBAWKMUQHASCNR-CMPLNLGQSA-N 1 0 398.248 2.151 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc3ncc(I)n3c2)C1 ZINC000749413404 652253273 /nfs/dbraw/zinc/25/32/73/652253273.db2.gz JHWFNZFLDYEZRT-LLVKDONJSA-N 1 0 398.248 2.011 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000658320243 652253715 /nfs/dbraw/zinc/25/37/15/652253715.db2.gz HOJNHNBGRRZWMY-INIZCTEOSA-N 1 0 396.329 2.397 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1Br ZINC000578236574 652255181 /nfs/dbraw/zinc/25/51/81/652255181.db2.gz AJDLOZCFPSLQBC-VIFPVBQESA-N 1 0 389.649 2.378 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Br)cnc2OC)C1 ZINC000623719313 652255967 /nfs/dbraw/zinc/25/59/67/652255967.db2.gz QAILALXLLWCZHP-LBPRGKRZSA-N 1 0 385.306 2.384 20 0 GEADRO Clc1cccc(-n2cc(C[NH2+]CCc3nnc4n3CCC4)nn2)c1Cl ZINC000578249986 652256747 /nfs/dbraw/zinc/25/67/47/652256747.db2.gz LKRFLORHRSFQKY-UHFFFAOYSA-N 1 0 378.267 2.444 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658368253 652258052 /nfs/dbraw/zinc/25/80/52/652258052.db2.gz YDZKCTKZJIRUAC-ZDUSSCGKSA-N 1 0 379.295 2.492 20 0 GEADRO COc1c(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1Br ZINC000623764777 652259170 /nfs/dbraw/zinc/25/91/70/652259170.db2.gz JXYYBZIOCHKMSP-VXGBXAGGSA-N 1 0 395.091 2.460 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)c2cc(Cl)cc(Br)c2)CCC[NH2+]1 ZINC000658378891 652260736 /nfs/dbraw/zinc/26/07/36/652260736.db2.gz BUMLKCKHFKBJHW-ZDUSSCGKSA-N 1 0 397.722 2.149 20 0 GEADRO O=S(=O)(c1ncccc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000658380636 652261325 /nfs/dbraw/zinc/26/13/25/652261325.db2.gz WFDUKKIMYMSYDN-OLZOCXBDSA-N 1 0 388.331 2.244 20 0 GEADRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000623794469 652261377 /nfs/dbraw/zinc/26/13/77/652261377.db2.gz VTTQTKXYFPNDBT-XYOKQWHBSA-N 1 0 377.432 2.189 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@@]1(C)C[NH3+] ZINC000658381930 652261702 /nfs/dbraw/zinc/26/17/02/652261702.db2.gz POADJWLDZXLEHB-QMTHXVAHSA-N 1 0 379.295 2.335 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000658381387 652262072 /nfs/dbraw/zinc/26/20/72/652262072.db2.gz LHQDQFMRCAKIMU-VIFPVBQESA-N 1 0 381.267 2.017 20 0 GEADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ncccc1Br ZINC000658384224 652262944 /nfs/dbraw/zinc/26/29/44/652262944.db2.gz WAQOOALYWWDTHT-CQSZACIVSA-N 1 0 382.283 2.091 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Cl ZINC000658383159 652262981 /nfs/dbraw/zinc/26/29/81/652262981.db2.gz BEWDZTGRXYPCMW-HEHGZKQESA-N 1 0 388.917 2.256 20 0 GEADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(F)F ZINC000578322298 652263127 /nfs/dbraw/zinc/26/31/27/652263127.db2.gz PZSBYIBBXASWDO-PELKAZGASA-N 1 0 380.222 2.445 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1Cl ZINC000658383161 652262987 /nfs/dbraw/zinc/26/29/87/652262987.db2.gz BEWDZTGRXYPCMW-WOSRLPQWSA-N 1 0 388.917 2.256 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1Br ZINC000658400480 652265928 /nfs/dbraw/zinc/26/59/28/652265928.db2.gz 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WEHAWJLDBIZCQO-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO CN(CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)CC(F)F ZINC000624327541 652281802 /nfs/dbraw/zinc/28/18/02/652281802.db2.gz FKUBBFYBUSEFKY-GFCCVEGCSA-N 1 0 397.285 2.454 20 0 GEADRO O=S(=O)(NCCN1CC[NH2+]CC1)c1cccc(Sc2ccccc2)c1 ZINC000624353670 652282608 /nfs/dbraw/zinc/28/26/08/652282608.db2.gz UHYSSNVQDRDRDO-UHFFFAOYSA-N 1 0 377.535 2.021 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000624365294 652283359 /nfs/dbraw/zinc/28/33/59/652283359.db2.gz REAOPSSPFBWBMX-UWVGGRQHSA-N 1 0 383.258 2.217 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)CCC(F)(F)F)cc1F ZINC000624375660 652284493 /nfs/dbraw/zinc/28/44/93/652284493.db2.gz VULFLQXLGYLEKI-AAEUAGOBSA-N 1 0 384.395 2.152 20 0 GEADRO CCN(CC[NH3+])S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000624382146 652285617 /nfs/dbraw/zinc/28/56/17/652285617.db2.gz OWTWSVFEIIZTTC-UHFFFAOYSA-N 1 0 375.210 2.437 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624390419 652286445 /nfs/dbraw/zinc/28/64/45/652286445.db2.gz BPNBQXXWDBSBRH-MWLCHTKSSA-N 1 0 386.823 2.496 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000624391007 652287900 /nfs/dbraw/zinc/28/79/00/652287900.db2.gz NYIQHMQRQMDXQP-OLZOCXBDSA-N 1 0 380.432 2.460 20 0 GEADRO CN(C(=O)c1cccnc1-n1cc(Br)cn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000578722995 652288445 /nfs/dbraw/zinc/28/84/45/652288445.db2.gz PXCPUSZPBVSTHK-AWEZNQCLSA-N 1 0 390.285 2.339 20 0 GEADRO CC(C)(C)c1cc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)no1 ZINC000624392189 652289044 /nfs/dbraw/zinc/28/90/44/652289044.db2.gz LDUPGMRYWDMPHC-ZYHUDNBSSA-N 1 0 383.436 2.261 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000578731721 652289262 /nfs/dbraw/zinc/28/92/62/652289262.db2.gz WGKLGHJKWWPENU-AWEZNQCLSA-N 1 0 396.329 2.098 20 0 GEADRO COCc1ccccc1CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624392629 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20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1csc(C(F)(F)F)c1 ZINC000624926855 652310883 /nfs/dbraw/zinc/31/08/83/652310883.db2.gz NTTUSJFDNYSHIS-JTQLQIEISA-N 1 0 378.420 2.028 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ncc(Br)cc1Br ZINC000579008256 652311050 /nfs/dbraw/zinc/31/10/50/652311050.db2.gz NURACKUNAPYZEB-JGVFFNPUSA-N 1 0 377.080 2.429 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2COC)C1 ZINC000658777612 652312511 /nfs/dbraw/zinc/31/25/11/652312511.db2.gz DPBRTSGBKKGRKC-GFCCVEGCSA-N 1 0 398.301 2.135 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000658778410 652313180 /nfs/dbraw/zinc/31/31/80/652313180.db2.gz NFICBOFSCPBFCT-VIFPVBQESA-N 1 0 390.228 2.266 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2C)C1 ZINC000658778033 652313236 /nfs/dbraw/zinc/31/32/36/652313236.db2.gz LISJAKJTORJMJD-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2c(C)ccc(F)c2Br)C1 ZINC000658786104 652314018 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20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000579132318 652319545 /nfs/dbraw/zinc/31/95/45/652319545.db2.gz SAKZOAOQVNAOBR-GWCFXTLKSA-N 1 0 379.295 2.143 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000579132319 652319785 /nfs/dbraw/zinc/31/97/85/652319785.db2.gz SAKZOAOQVNAOBR-GXFFZTMASA-N 1 0 379.295 2.143 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000579132321 652319791 /nfs/dbraw/zinc/31/97/91/652319791.db2.gz SAKZOAOQVNAOBR-ZWNOBZJWSA-N 1 0 379.295 2.143 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000751088540 652323215 /nfs/dbraw/zinc/32/32/15/652323215.db2.gz RSJFTPDFYZOSOC-TXEJJXNPSA-N 1 0 389.905 2.063 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000658893018 652325954 /nfs/dbraw/zinc/32/59/54/652325954.db2.gz ZDAZMGMEDJOEKA-HNNXBMFYSA-N 1 0 382.302 2.133 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000579221706 652326169 /nfs/dbraw/zinc/32/61/69/652326169.db2.gz PPPPFWJJUBWAML-DZGCQCFKSA-N 1 0 385.302 2.317 20 0 GEADRO NC(=O)CC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625089180 652326705 /nfs/dbraw/zinc/32/67/05/652326705.db2.gz WWOWTXKVWFVXTN-OAHLLOKOSA-N 1 0 380.286 2.290 20 0 GEADRO O=C(CCc1nc2cc(Cl)ccc2s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579227153 652326810 /nfs/dbraw/zinc/32/68/10/652326810.db2.gz PYVHSKUZFQVENX-AWEZNQCLSA-N 1 0 378.929 2.388 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000579254542 652329260 /nfs/dbraw/zinc/32/92/60/652329260.db2.gz MTDMFJOLPYDLIH-AWEZNQCLSA-N 1 0 376.328 2.055 20 0 GEADRO CC[NH2+]CCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000579351187 652333223 /nfs/dbraw/zinc/33/32/23/652333223.db2.gz DOLNCPATYLUYHD-UHFFFAOYSA-N 1 0 391.331 2.117 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)NCc2nc3c(cccc3Br)[nH]2)n1 ZINC000579374681 652334734 /nfs/dbraw/zinc/33/47/34/652334734.db2.gz NWQOWPWAMQYCSX-UHFFFAOYSA-N 1 0 391.273 2.014 20 0 GEADRO Cn1cc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc(Br)c1=O ZINC000659002881 652336620 /nfs/dbraw/zinc/33/66/20/652336620.db2.gz VCVKNKRKLAASIP-ZDUSSCGKSA-N 1 0 397.317 2.391 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CS1(=O)=O ZINC000659022264 652337294 /nfs/dbraw/zinc/33/72/94/652337294.db2.gz QEXWQSMTIYVKGI-SKDRFNHKSA-N 1 0 379.404 2.251 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000659012109 652337430 /nfs/dbraw/zinc/33/74/30/652337430.db2.gz OVWWEXOTYPXSJS-LLVKDONJSA-N 1 0 383.290 2.415 20 0 GEADRO COCCN1CCC[C@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000579463341 652339066 /nfs/dbraw/zinc/33/90/66/652339066.db2.gz OVJHNFUVUHBZOU-GJZGRUSLSA-N 1 0 377.312 2.434 20 0 GEADRO CC1(C)CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c2cc(Br)ccc21 ZINC000659074865 652340183 /nfs/dbraw/zinc/34/01/83/652340183.db2.gz QQRKRJBKEQMIGP-GFCCVEGCSA-N 1 0 394.313 2.189 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)cc1Br ZINC000579472276 652340217 /nfs/dbraw/zinc/34/02/17/652340217.db2.gz LGTWRPRSSKWYHO-MNOVXSKESA-N 1 0 377.279 2.127 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c(Cl)cc1Br ZINC000659076843 652340539 /nfs/dbraw/zinc/34/05/39/652340539.db2.gz GQVQVAFZNDAODO-SNVBAGLBSA-N 1 0 392.681 2.149 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659077632 652340570 /nfs/dbraw/zinc/34/05/70/652340570.db2.gz MHUQFUHDKWMXMZ-MRVPVSSYSA-N 1 0 378.217 2.155 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659082298 652341087 /nfs/dbraw/zinc/34/10/87/652341087.db2.gz WPEZWMCHKIQOPQ-JTQLQIEISA-N 1 0 392.244 2.498 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000659083157 652341426 /nfs/dbraw/zinc/34/14/26/652341426.db2.gz VTKHVUZJBPMVLK-AMIZOPFISA-N 1 0 388.693 2.464 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c2cc(Br)ccc21 ZINC000659085055 652341527 /nfs/dbraw/zinc/34/15/27/652341527.db2.gz CSSZAAVVFPJYIR-QWHCGFSZSA-N 1 0 394.313 2.459 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C[C@@H]1C[NH3+] ZINC000659086680 652341958 /nfs/dbraw/zinc/34/19/58/652341958.db2.gz AYZPFFRLNMNTHQ-BDAKNGLRSA-N 1 0 390.228 2.109 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659085644 652342075 /nfs/dbraw/zinc/34/20/75/652342075.db2.gz LOQOAHRSZSVEGL-YUMQZZPRSA-N 1 0 376.201 2.052 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000659099953 652343495 /nfs/dbraw/zinc/34/34/95/652343495.db2.gz FZMZBLXGUQSBJX-UHFFFAOYSA-N 1 0 388.265 2.491 20 0 GEADRO Cc1cccc(CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1Br ZINC000625331902 652343640 /nfs/dbraw/zinc/34/36/40/652343640.db2.gz CRHZZFGHYPBHHW-HOTGVXAUSA-N 1 0 381.314 2.358 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000751375510 652343619 /nfs/dbraw/zinc/34/36/19/652343619.db2.gz KNMKYJZXBDXBLT-LBPRGKRZSA-N 1 0 387.933 2.241 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000659106882 652344240 /nfs/dbraw/zinc/34/42/40/652344240.db2.gz VNEPCUVKQTWLQZ-CYBMUJFWSA-N 1 0 393.285 2.425 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[C@H]1F ZINC000659109951 652344355 /nfs/dbraw/zinc/34/43/55/652344355.db2.gz QLBQDQKFQVTQTJ-PSASIEDQSA-N 1 0 396.619 2.078 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000659111491 652344515 /nfs/dbraw/zinc/34/45/15/652344515.db2.gz BCKYUYYLLGVAAY-ZETCQYMHSA-N 1 0 382.180 2.131 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000659106654 652344606 /nfs/dbraw/zinc/34/46/06/652344606.db2.gz VBMXJVWNEOHOOM-SNVBAGLBSA-N 1 0 378.217 2.155 20 0 GEADRO COCC[C@H](COC)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000579651476 652348971 /nfs/dbraw/zinc/34/89/71/652348971.db2.gz IAGLMYVIUHUJKO-OCCSQVGLSA-N 1 0 392.315 2.309 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)CC(F)(F)F)c1cccc(Cl)c1Cl ZINC000579702325 652350922 /nfs/dbraw/zinc/35/09/22/652350922.db2.gz VIWGFKNMMYRWCE-MRVPVSSYSA-N 1 0 395.230 2.175 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000659269258 652351520 /nfs/dbraw/zinc/35/15/20/652351520.db2.gz IWUAGEODBXARSJ-AWEZNQCLSA-N 1 0 381.274 2.385 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2csc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000625529333 652352739 /nfs/dbraw/zinc/35/27/39/652352739.db2.gz VMAGAUMLIHCKDX-JQWIXIFHSA-N 1 0 377.432 2.324 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659358280 652354913 /nfs/dbraw/zinc/35/49/13/652354913.db2.gz IBIYDWZLPJSAGO-LSDHHAIUSA-N 1 0 385.327 2.444 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CCC([NH+]2CCOCC2)CC1 ZINC000625550521 652354888 /nfs/dbraw/zinc/35/48/88/652354888.db2.gz VIYDHWKXASXSEH-UHFFFAOYSA-N 1 0 396.329 2.493 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659358279 652355001 /nfs/dbraw/zinc/35/50/01/652355001.db2.gz IBIYDWZLPJSAGO-HUUCEWRRSA-N 1 0 385.327 2.444 20 0 GEADRO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCc2sc(Br)cc2C1 ZINC000659369533 652355526 /nfs/dbraw/zinc/35/55/26/652355526.db2.gz TUHAXDNVAWILFW-UHFFFAOYSA-N 1 0 396.314 2.225 20 0 GEADRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cn1 ZINC000579828279 652356389 /nfs/dbraw/zinc/35/63/89/652356389.db2.gz NJALCLVFQRYQEC-OAHLLOKOSA-N 1 0 394.269 2.332 20 0 GEADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000579838279 652357326 /nfs/dbraw/zinc/35/73/26/652357326.db2.gz PBGYDBFWGISZLM-QGZVFWFLSA-N 1 0 392.341 2.483 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000659446911 652357822 /nfs/dbraw/zinc/35/78/22/652357822.db2.gz VKBGEOPNXMZODO-CYBMUJFWSA-N 1 0 386.290 2.393 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000659449813 652358145 /nfs/dbraw/zinc/35/81/45/652358145.db2.gz RFQUQODOADEXOQ-KDJCLPLCSA-N 1 0 379.302 2.079 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000659468640 652358644 /nfs/dbraw/zinc/35/86/44/652358644.db2.gz CQQUTPOXWOPMAC-KOLCDFICSA-N 1 0 379.814 2.240 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000659479905 652359132 /nfs/dbraw/zinc/35/91/32/652359132.db2.gz IXZPKZANTQKSAC-FBUIMKQZSA-N 1 0 383.279 2.231 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC[C@H]1F ZINC000659491880 652359516 /nfs/dbraw/zinc/35/95/16/652359516.db2.gz OCBVJVBCTKESMO-YUSALJHKSA-N 1 0 376.201 2.102 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)n1 ZINC000659498887 652359832 /nfs/dbraw/zinc/35/98/32/652359832.db2.gz AZGCJOFJFATSTG-UKRRQHHQSA-N 1 0 392.301 2.128 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000659548470 652360612 /nfs/dbraw/zinc/36/06/12/652360612.db2.gz HMUKGIQBSFFYCP-CQSZACIVSA-N 1 0 387.311 2.204 20 0 GEADRO Cc1cc(Br)c(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)s1 ZINC000659600233 652360855 /nfs/dbraw/zinc/36/08/55/652360855.db2.gz AYDPERHYDXTAJK-WCQYABFASA-N 1 0 398.330 2.189 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CCO1 ZINC000659598582 652361063 /nfs/dbraw/zinc/36/10/63/652361063.db2.gz FKYSWZOFAJJQSB-HNNXBMFYSA-N 1 0 382.302 2.141 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)C1CC1 ZINC000579984917 652362542 /nfs/dbraw/zinc/36/25/42/652362542.db2.gz SVFOERNQXQLCEK-CYBMUJFWSA-N 1 0 395.301 2.116 20 0 GEADRO CC[C@H](NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)c1nc(C(F)(F)F)cs1 ZINC000659682089 652363103 /nfs/dbraw/zinc/36/31/03/652363103.db2.gz GZFNRBLYZJZBKO-ZJUUUORDSA-N 1 0 380.436 2.219 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000659680007 652363142 /nfs/dbraw/zinc/36/31/42/652363142.db2.gz ITPBOFOVKYIFFY-UHFFFAOYSA-N 1 0 396.329 2.183 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000659684919 652363368 /nfs/dbraw/zinc/36/33/68/652363368.db2.gz MNTIFEFIFXMAHL-GFCCVEGCSA-N 1 0 390.709 2.208 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000659709714 652363871 /nfs/dbraw/zinc/36/38/71/652363871.db2.gz KTRNLVPSMMQJPU-INIZCTEOSA-N 1 0 377.897 2.341 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CCC[NH2+]C1 ZINC000659724080 652364428 /nfs/dbraw/zinc/36/44/28/652364428.db2.gz PUBZPRDLKKVTRJ-GOSISDBHSA-N 1 0 384.307 2.384 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000659739423 652364579 /nfs/dbraw/zinc/36/45/79/652364579.db2.gz UFKOFAQXCIDCGF-SECBINFHSA-N 1 0 377.329 2.106 20 0 GEADRO Cc1ccc(OCCC(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(Br)c1 ZINC000580127681 652367593 /nfs/dbraw/zinc/36/75/93/652367593.db2.gz WRGADDTZGQRTMF-OAHLLOKOSA-N 1 0 399.329 2.489 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000580158632 652367902 /nfs/dbraw/zinc/36/79/02/652367902.db2.gz QNIAUZFSJDALNV-QGZVFWFLSA-N 1 0 398.276 2.389 20 0 GEADRO NS(=O)(=O)CCC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625706316 652368504 /nfs/dbraw/zinc/36/85/04/652368504.db2.gz ZYJSFVCFAGFRMV-CYBMUJFWSA-N 1 0 379.345 2.294 20 0 GEADRO CC[C@@H](CC(F)F)C[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000659872934 652368802 /nfs/dbraw/zinc/36/88/02/652368802.db2.gz IZTKSMZBVFNFNQ-AWEZNQCLSA-N 1 0 375.485 2.398 20 0 GEADRO CC(C)O[C@]1(CS(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC000659890682 652369594 /nfs/dbraw/zinc/36/95/94/652369594.db2.gz YCJICTBYSUEQIY-ZWKOTPCHSA-N 1 0 376.563 2.000 20 0 GEADRO CC(C)O[C@]1(CS(=O)(=O)NCCCC[NH+]2CCC(C)CC2)CCOC1 ZINC000659891987 652369602 /nfs/dbraw/zinc/36/96/02/652369602.db2.gz QWPJGYURXIXDBC-GOSISDBHSA-N 1 0 376.563 2.002 20 0 GEADRO O=C(Cc1ccc(I)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000580189674 652369814 /nfs/dbraw/zinc/36/98/14/652369814.db2.gz WIPOJXMVAJONKG-UHFFFAOYSA-N 1 0 384.261 2.436 20 0 GEADRO O=C(C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)Nc1nccs1 ZINC000625794597 652370715 /nfs/dbraw/zinc/37/07/15/652370715.db2.gz KYDXWTDGGLWQFM-MRXNPFEDSA-N 1 0 396.310 2.354 20 0 GEADRO Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000580205121 652370739 /nfs/dbraw/zinc/37/07/39/652370739.db2.gz RNBDRUNCARTKTR-LBPRGKRZSA-N 1 0 391.324 2.351 20 0 GEADRO COc1ncc(Br)cc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000659908655 652371313 /nfs/dbraw/zinc/37/13/13/652371313.db2.gz FWDNMBLKJDVJBA-KRWDZBQOSA-N 1 0 397.361 2.455 20 0 GEADRO CC(C)(C)n1nnnc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796225 652371585 /nfs/dbraw/zinc/37/15/85/652371585.db2.gz INKFSYOXVMZDII-QGZVFWFLSA-N 1 0 394.317 2.200 20 0 GEADRO CC(C)O[C@]1(CS(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)CCOC1 ZINC000659925520 652372245 /nfs/dbraw/zinc/37/22/45/652372245.db2.gz PTWJYDMUOSMTBK-QGZVFWFLSA-N 1 0 390.571 2.026 20 0 GEADRO O=C1CC[C@H](C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)CCN1 ZINC000625797820 652372250 /nfs/dbraw/zinc/37/22/50/652372250.db2.gz ZYPIZQYFTJMJKR-SCLBCKFNSA-N 1 0 381.314 2.175 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000580262057 652372871 /nfs/dbraw/zinc/37/28/71/652372871.db2.gz HVSMQTVJSFINAY-ZDUSSCGKSA-N 1 0 389.543 2.047 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccncc2Br)CC[C@@H]1C(F)(F)F ZINC000625874164 652374202 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O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000660090075 652385153 /nfs/dbraw/zinc/38/51/53/652385153.db2.gz HAZWXPNOLSHQPO-AWEZNQCLSA-N 1 0 393.336 2.354 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Cl)cc1F ZINC000660090073 652385187 /nfs/dbraw/zinc/38/51/87/652385187.db2.gz HAEJWKDWIDUIGB-ZDUSSCGKSA-N 1 0 376.881 2.007 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660092358 652385881 /nfs/dbraw/zinc/38/58/81/652385881.db2.gz QJZRXAJQXBPDAB-GFCCVEGCSA-N 1 0 379.309 2.213 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1coc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000626272565 652387583 /nfs/dbraw/zinc/38/75/83/652387583.db2.gz DQFOJIBSMUQTCQ-ZDUSSCGKSA-N 1 0 378.441 2.188 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](CC(F)(F)F)O1 ZINC000660134947 652389932 /nfs/dbraw/zinc/38/99/32/652389932.db2.gz LCUSAKIGMPTGJE-JSGCOSHPSA-N 1 0 380.432 2.479 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000660158060 652391248 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C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000627244090 652420129 /nfs/dbraw/zinc/42/01/29/652420129.db2.gz DOYGIICWFRKKRK-BLLLJJGKSA-N 1 0 399.308 2.166 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627248028 652420266 /nfs/dbraw/zinc/42/02/66/652420266.db2.gz CEJZTJWHTJVKGL-OAHLLOKOSA-N 1 0 395.301 2.171 20 0 GEADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627258012 652420533 /nfs/dbraw/zinc/42/05/33/652420533.db2.gz SDFKHSZBHZNLAQ-GHMZBOCLSA-N 1 0 384.299 2.273 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1cccc(NS(C)(=O)=O)c1 ZINC000753911768 652420479 /nfs/dbraw/zinc/42/04/79/652420479.db2.gz BBPQWJAFWXQZHI-LLVKDONJSA-N 1 0 382.873 2.396 20 0 GEADRO Cc1nc(-c2cccs2)c(CC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)s1 ZINC000627254906 652420711 /nfs/dbraw/zinc/42/07/11/652420711.db2.gz HEFDXVVIBSWABS-ZIAGYGMSSA-N 1 0 377.535 2.390 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627258220 652421123 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CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000627339492 652423421 /nfs/dbraw/zinc/42/34/21/652423421.db2.gz JOUCVOVPMZQSOO-HUUCEWRRSA-N 1 0 381.929 2.450 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1Br ZINC000627345920 652424205 /nfs/dbraw/zinc/42/42/05/652424205.db2.gz ZJDIIDOPHPVHDO-SNVBAGLBSA-N 1 0 386.315 2.177 20 0 GEADRO O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000581771765 652425536 /nfs/dbraw/zinc/42/55/36/652425536.db2.gz WSMQJSNDIQZCMB-TXCZRRACSA-N 1 0 382.551 2.042 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000627405617 652426758 /nfs/dbraw/zinc/42/67/58/652426758.db2.gz IUVLEQGGIJIYDK-XNRPHZJLSA-N 1 0 394.313 2.022 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000627412608 652427020 /nfs/dbraw/zinc/42/70/20/652427020.db2.gz PPVODGHROHEHEQ-DIOULYMOSA-N 1 0 394.313 2.007 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627422827 652427682 /nfs/dbraw/zinc/42/76/82/652427682.db2.gz WLFYMCKVHKTXOH-ABHRYQDASA-N 1 0 396.329 2.396 20 0 GEADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453045 652428791 /nfs/dbraw/zinc/42/87/91/652428791.db2.gz AVFPDBMZEVUHSZ-LLVKDONJSA-N 1 0 388.295 2.137 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000627500106 652430699 /nfs/dbraw/zinc/43/06/99/652430699.db2.gz NSPMKUDDBCYYQS-GHJWDPDVSA-N 1 0 375.519 2.150 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627504095 652431075 /nfs/dbraw/zinc/43/10/75/652431075.db2.gz VEXKBMZUHVMTTM-TWJWRFFLSA-N 1 0 394.313 2.020 20 0 GEADRO CO[C@H]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)[C@@H](C[NH3+])C1 ZINC000582003499 652431430 /nfs/dbraw/zinc/43/14/30/652431430.db2.gz LZGMQGUDJISTAV-CABCVRRESA-N 1 0 395.301 2.361 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1Br ZINC000627534288 652432641 /nfs/dbraw/zinc/43/26/41/652432641.db2.gz URIYXXRPFVQKHA-UHFFFAOYSA-N 1 0 398.326 2.416 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc1Br ZINC000627583492 652433628 /nfs/dbraw/zinc/43/36/28/652433628.db2.gz XCDBUZOOEPLECJ-SNVBAGLBSA-N 1 0 388.331 2.423 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccccc1Br ZINC000661597753 652434500 /nfs/dbraw/zinc/43/45/00/652434500.db2.gz NBVNQJRFQYCKPW-TZMCWYRMSA-N 1 0 380.286 2.378 20 0 GEADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@H]1COCCO1 ZINC000661607149 652435266 /nfs/dbraw/zinc/43/52/66/652435266.db2.gz VUBLQRQPXSHFTI-STQMWFEESA-N 1 0 394.693 2.189 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]21 ZINC000627649344 652437262 /nfs/dbraw/zinc/43/72/62/652437262.db2.gz SOMDEQHOTXMNTJ-BCUIYNNISA-N 1 0 382.291 2.365 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000627827430 652440193 /nfs/dbraw/zinc/44/01/93/652440193.db2.gz ZAQXKBFRUWAMAH-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000582231025 652441207 /nfs/dbraw/zinc/44/12/07/652441207.db2.gz BWHZBNJORARRPP-YYWXWVFPSA-N 1 0 382.302 2.386 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cncnc1)c1ccc(Cl)c(Cl)c1 ZINC000627910496 652442382 /nfs/dbraw/zinc/44/23/82/652442382.db2.gz HZYBYOJVEZPQCX-CQSZACIVSA-N 1 0 382.251 2.141 20 0 GEADRO CN1C(=O)C[C@@H](NC(=S)NCCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754687319 652442705 /nfs/dbraw/zinc/44/27/05/652442705.db2.gz LWFTXPVNSLNNLE-ZBFHGGJFSA-N 1 0 386.924 2.167 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)sc1C(F)(F)F ZINC000582275359 652443035 /nfs/dbraw/zinc/44/30/35/652443035.db2.gz PZPINJYWPNIHOM-SCZZXKLOSA-N 1 0 378.420 2.350 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCn1cc(Br)ccc1=O ZINC000582283870 652443372 /nfs/dbraw/zinc/44/33/72/652443372.db2.gz MKSBTJOXJSFYEC-KBPBESRZSA-N 1 0 399.333 2.173 20 0 GEADRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000662011406 652445083 /nfs/dbraw/zinc/44/50/83/652445083.db2.gz KQMAMXGHDUPVRI-OAHLLOKOSA-N 1 0 397.317 2.465 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000582349401 652446788 /nfs/dbraw/zinc/44/67/88/652446788.db2.gz NIELWRJMWQIIIZ-QWRGUYRKSA-N 1 0 384.274 2.333 20 0 GEADRO CC1(C)CN(CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCO1 ZINC000582366718 652447506 /nfs/dbraw/zinc/44/75/06/652447506.db2.gz HQGSJINEVYMXMP-UHFFFAOYSA-N 1 0 394.317 2.230 20 0 GEADRO O=C(CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1ccccc1Br ZINC000662152253 652448999 /nfs/dbraw/zinc/44/89/99/652448999.db2.gz ARLKEPJZYQQTLC-HNNXBMFYSA-N 1 0 396.329 2.309 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CCN(Cc3nc4cc(Br)ccc4[nH]3)CC2)C1 ZINC000662153097 652449234 /nfs/dbraw/zinc/44/92/34/652449234.db2.gz NQVWWEROTSXTQH-CQSZACIVSA-N 1 0 379.302 2.356 20 0 GEADRO C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ncc(Br)cn1 ZINC000582472123 652451511 /nfs/dbraw/zinc/45/15/11/652451511.db2.gz ZYKSEXNKZPMNGF-QWHCGFSZSA-N 1 0 382.306 2.427 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000582487528 652452342 /nfs/dbraw/zinc/45/23/42/652452342.db2.gz ZAFWCVCMXUZSBG-STQMWFEESA-N 1 0 388.917 2.367 20 0 GEADRO Cc1nc(CSc2ccccc2C(=O)NC[C@H]2C[NH2+]CCN2C)cs1 ZINC000582491227 652452750 /nfs/dbraw/zinc/45/27/50/652452750.db2.gz KDBYAJJBDGGSMZ-OAHLLOKOSA-N 1 0 376.551 2.377 20 0 GEADRO O[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000628137533 652452806 /nfs/dbraw/zinc/45/28/06/652452806.db2.gz JNSNVFDCNMZZEO-HNNXBMFYSA-N 1 0 375.296 2.271 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ncc(Br)cc3Cl)C2)nn1 ZINC000662280102 652455125 /nfs/dbraw/zinc/45/51/25/652455125.db2.gz CKUVEBLBWXKHDJ-GFCCVEGCSA-N 1 0 385.697 2.385 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(CC(=O)Nc2ccccc2Br)CCO1 ZINC000662322019 652455729 /nfs/dbraw/zinc/45/57/29/652455729.db2.gz STCOXVBWRYXFEZ-CQSZACIVSA-N 1 0 384.318 2.430 20 0 GEADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)CCC(F)(F)F)CC1 ZINC000582575104 652455727 /nfs/dbraw/zinc/45/57/27/652455727.db2.gz RXGZXXNXVJEJLA-AWEZNQCLSA-N 1 0 388.496 2.462 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN([C@@H](C(N)=O)c2cccc(Br)c2)CCO1 ZINC000662325359 652455947 /nfs/dbraw/zinc/45/59/47/652455947.db2.gz MERNAHPBIDWUFU-HZPDHXFCSA-N 1 0 384.318 2.018 20 0 GEADRO CN(CCS(=O)(=O)c1cccc(Br)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662328577 652456162 /nfs/dbraw/zinc/45/61/62/652456162.db2.gz FYCHJGIZVYYDDR-LLVKDONJSA-N 1 0 389.237 2.044 20 0 GEADRO CC[C@H]([NH2+]C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000662392258 652458741 /nfs/dbraw/zinc/45/87/41/652458741.db2.gz GCPCSCXBLWZUGS-ZDUSSCGKSA-N 1 0 383.290 2.019 20 0 GEADRO C[NH2+]CC1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000662414861 652459883 /nfs/dbraw/zinc/45/98/83/652459883.db2.gz ZOCOZBXRIMHUOV-CVEARBPZSA-N 1 0 382.302 2.380 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662453390 652461709 /nfs/dbraw/zinc/46/17/09/652461709.db2.gz XNVYRVXPZSDQMZ-INIZCTEOSA-N 1 0 398.345 2.455 20 0 GEADRO O=C(NCCc1ccc(Br)s1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662460707 652462024 /nfs/dbraw/zinc/46/20/24/652462024.db2.gz URLJAKAKKSBBSN-LLVKDONJSA-N 1 0 398.330 2.389 20 0 GEADRO CN[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000662479129 652463214 /nfs/dbraw/zinc/46/32/14/652463214.db2.gz COVDIODQHAJJNQ-GUYCJALGSA-N 1 0 387.355 2.254 20 0 GEADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NCCOCC[NH+](C)C ZINC000582854037 652464250 /nfs/dbraw/zinc/46/42/50/652464250.db2.gz PSKLRZOKUJWEGR-UHFFFAOYSA-N 1 0 391.921 2.222 20 0 GEADRO Cc1cc2c(o1)c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)ccc2Br ZINC000582855103 652464293 /nfs/dbraw/zinc/46/42/93/652464293.db2.gz HSBAHPYRPIYQLQ-NSHDSACASA-N 1 0 396.285 2.300 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662500031 652464509 /nfs/dbraw/zinc/46/45/09/652464509.db2.gz KEWKJKXWAGLEAB-LBPRGKRZSA-N 1 0 392.301 2.326 20 0 GEADRO CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000582905837 652466310 /nfs/dbraw/zinc/46/63/10/652466310.db2.gz AQPHHOAYMOUKKZ-XDNDCFONSA-N 1 0 394.313 2.355 20 0 GEADRO COCC[NH2+]CCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662551699 652467689 /nfs/dbraw/zinc/46/76/89/652467689.db2.gz TUQBXIQQUXNUKV-UHFFFAOYSA-N 1 0 394.107 2.106 20 0 GEADRO O=C(NCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br)c1cnccn1 ZINC000582945190 652468042 /nfs/dbraw/zinc/46/80/42/652468042.db2.gz BGKGIFWTPJGKJP-CYBMUJFWSA-N 1 0 379.233 2.385 20 0 GEADRO N[C@H](C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1Br ZINC000662574197 652468394 /nfs/dbraw/zinc/46/83/94/652468394.db2.gz JFLYRLZPNZGVRB-YESZJQIVSA-N 1 0 396.329 2.194 20 0 GEADRO CN[C@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Cl)c1Cl ZINC000662570319 652468510 /nfs/dbraw/zinc/46/85/10/652468510.db2.gz JWEWTKSSDXFZJC-WBMJQRKESA-N 1 0 386.323 2.468 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000662582324 652468806 /nfs/dbraw/zinc/46/88/06/652468806.db2.gz OBWDXYDRSWHXGD-ULKVUYOBSA-N 1 0 377.243 2.396 20 0 GEADRO Cc1c(F)c(Br)ccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000662580180 652468921 /nfs/dbraw/zinc/46/89/21/652468921.db2.gz OFMXATJIJHKZRQ-GXTWGEPZSA-N 1 0 381.249 2.197 20 0 GEADRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662654946 652470017 /nfs/dbraw/zinc/47/00/17/652470017.db2.gz FGVSJKGJHZRYGC-INIZCTEOSA-N 1 0 378.314 2.487 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000583025175 652471504 /nfs/dbraw/zinc/47/15/04/652471504.db2.gz RCFNLXSZTOWQFV-RNFRBKRXSA-N 1 0 375.210 2.482 20 0 GEADRO Cc1cc(C(=O)NCC23CC(C2)C[NH2+]3)nn1-c1ccc(Br)cc1 ZINC000662718592 652471602 /nfs/dbraw/zinc/47/16/02/652471602.db2.gz QAHLRORLAODAAS-UHFFFAOYSA-N 1 0 375.270 2.425 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719994 652471620 /nfs/dbraw/zinc/47/16/20/652471620.db2.gz NQNJQAJJYUOZPP-WRSVWVKZSA-N 1 0 382.551 2.219 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662728810 652471888 /nfs/dbraw/zinc/47/18/88/652471888.db2.gz FIZDWSMSAHNTLR-CQSZACIVSA-N 1 0 391.331 2.264 20 0 GEADRO COCC1(C(=O)N2CCOc3cc(Br)ccc3C2)CC[NH2+]CC1 ZINC000662743767 652472367 /nfs/dbraw/zinc/47/23/67/652472367.db2.gz LWJFJSZOITXDRG-UHFFFAOYSA-N 1 0 383.286 2.186 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](NC)c2cccc(Cl)c2Cl)CC1 ZINC000662756056 652473570 /nfs/dbraw/zinc/47/35/70/652473570.db2.gz HGRWMPFSBHSOBB-CXAGYDPISA-N 1 0 387.355 2.396 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662770175 652473879 /nfs/dbraw/zinc/47/38/79/652473879.db2.gz MHEZIXXCEDCMRN-QXSJWSMHSA-N 1 0 380.286 2.275 20 0 GEADRO C[C@H]1[C@H](NC(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000583163877 652474725 /nfs/dbraw/zinc/47/47/25/652474725.db2.gz NRXIWGLZWIEFLQ-XJKSGUPXSA-N 1 0 377.286 2.425 20 0 GEADRO CC(C)C[C@H](C[NH3+])CC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000662801377 652474971 /nfs/dbraw/zinc/47/49/71/652474971.db2.gz SVQPSQVUTFSOEB-SUMWQHHRSA-N 1 0 396.329 2.460 20 0 GEADRO COc1cc(C(=O)Nc2nn(C)c(C)c2C[NH3+])cc(Br)c1OC ZINC000662835544 652476241 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C[C@H](CN(C)C(=O)C(=O)N(C)CCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000662941139 652479401 /nfs/dbraw/zinc/47/94/01/652479401.db2.gz ODWIBBJROQMUOO-LLVKDONJSA-N 1 0 376.284 2.026 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000662982075 652480377 /nfs/dbraw/zinc/48/03/77/652480377.db2.gz ADJPCBRRQATYSZ-WBMJQRKESA-N 1 0 396.329 2.302 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCC[NH2+]1 ZINC000583321956 652481532 /nfs/dbraw/zinc/48/15/32/652481532.db2.gz MUSYBJNRPLGJSS-ZDUSSCGKSA-N 1 0 386.823 2.406 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000583380985 652482509 /nfs/dbraw/zinc/48/25/09/652482509.db2.gz QGSOTIWTBFOWAP-ZDUSSCGKSA-N 1 0 388.917 2.367 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000583470715 652485961 /nfs/dbraw/zinc/48/59/61/652485961.db2.gz ZVXQJTDEBMXZOB-LLVKDONJSA-N 1 0 396.340 2.118 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000583494576 652487345 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394.235 2.435 20 0 GEADRO CC(C)CN(CC(F)(F)F)C(=O)CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563067 652493602 /nfs/dbraw/zinc/49/36/02/652493602.db2.gz PRRCZFBTWHKPPF-VXGBXAGGSA-N 1 0 377.373 2.492 20 0 GEADRO C[C@@]1(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC[NH2+]C1 ZINC000663312948 652493681 /nfs/dbraw/zinc/49/36/81/652493681.db2.gz MZGHWYYGSFHRJQ-LLVKDONJSA-N 1 0 387.221 2.498 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCOCCF ZINC000663338556 652494449 /nfs/dbraw/zinc/49/44/49/652494449.db2.gz JSXZKSLUDIJPJR-NSHDSACASA-N 1 0 377.254 2.038 20 0 GEADRO COc1ncc(Br)cc1CNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000629592682 652494619 /nfs/dbraw/zinc/49/46/19/652494619.db2.gz CBBPKBMOOJDFLK-QGZVFWFLSA-N 1 0 394.313 2.435 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)C1 ZINC000583702717 652494901 /nfs/dbraw/zinc/49/49/01/652494901.db2.gz CGULUWPXCNBQQV-MRXNPFEDSA-N 1 0 394.313 2.181 20 0 GEADRO O[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1ccc(Br)cc1 ZINC000663363344 652495233 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CN(C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000583911038 652502217 /nfs/dbraw/zinc/50/22/17/652502217.db2.gz GOAZEBULEGZHAA-GDBMZVCRSA-N 1 0 392.297 2.428 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCOC2(C[NH2+]C2)C1 ZINC000663511155 652502237 /nfs/dbraw/zinc/50/22/37/652502237.db2.gz AUMBTZSZVANITA-UHFFFAOYSA-N 1 0 391.313 2.426 20 0 GEADRO O=C(Nc1ccc(OC(F)(F)F)cc1Cl)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000663602517 652505277 /nfs/dbraw/zinc/50/52/77/652505277.db2.gz AJTPKPHCLGCCRM-SECBINFHSA-N 1 0 379.766 2.435 20 0 GEADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000583996824 652505259 /nfs/dbraw/zinc/50/52/59/652505259.db2.gz DPQAKNFZMSYFAP-KBPBESRZSA-N 1 0 386.945 2.457 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663602938 652505598 /nfs/dbraw/zinc/50/55/98/652505598.db2.gz DIUOQNPPBPEMBU-UFBFGSQYSA-N 1 0 379.766 2.291 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663602932 652505603 /nfs/dbraw/zinc/50/56/03/652505603.db2.gz DIUOQNPPBPEMBU-PELKAZGASA-N 1 0 379.766 2.291 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663604799 652505898 /nfs/dbraw/zinc/50/58/98/652505898.db2.gz NFVFJWUWHFTPHQ-VIFPVBQESA-N 1 0 379.766 2.293 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000663605675 652506166 /nfs/dbraw/zinc/50/61/66/652506166.db2.gz VDRTZEYQOBSTDB-BDAKNGLRSA-N 1 0 379.766 2.434 20 0 GEADRO C[C@]1(NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC[NH2+]C1 ZINC000663612625 652506681 /nfs/dbraw/zinc/50/66/81/652506681.db2.gz YRXPFWLWOYDFCW-ZDUSSCGKSA-N 1 0 394.191 2.275 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(c3nc(C4CC4)ncc3Br)CC2)C1 ZINC000663615923 652506685 /nfs/dbraw/zinc/50/66/85/652506685.db2.gz OVCYUHWHKVPOPR-CQSZACIVSA-N 1 0 380.334 2.333 20 0 GEADRO C[C@@]1(NC(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[NH2+]C1 ZINC000663615417 652506703 /nfs/dbraw/zinc/50/67/03/652506703.db2.gz NGBXJLPNQSZUJQ-CYBMUJFWSA-N 1 0 394.191 2.275 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000663614068 652506726 /nfs/dbraw/zinc/50/67/26/652506726.db2.gz YTSMTJHBJQVIAO-HNNXBMFYSA-N 1 0 375.416 2.456 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000663614069 652506760 /nfs/dbraw/zinc/50/67/60/652506760.db2.gz YTSMTJHBJQVIAO-OAHLLOKOSA-N 1 0 375.416 2.456 20 0 GEADRO C[C@@]1(NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC[NH2+]C1 ZINC000663612624 652506771 /nfs/dbraw/zinc/50/67/71/652506771.db2.gz YRXPFWLWOYDFCW-CYBMUJFWSA-N 1 0 394.191 2.275 20 0 GEADRO C[NH2+]CCCN(C)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000584047564 652507195 /nfs/dbraw/zinc/50/71/95/652507195.db2.gz QLYOAHGQSPWWHO-OAQYLSRUSA-N 1 0 375.332 2.405 20 0 GEADRO Cc1nc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(Br)s1 ZINC000584060232 652507861 /nfs/dbraw/zinc/50/78/61/652507861.db2.gz RXIYGWLHQBGBMA-UHFFFAOYSA-N 1 0 389.363 2.360 20 0 GEADRO Cc1nc(C)c(Br)c(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)n1 ZINC000663751546 652510728 /nfs/dbraw/zinc/51/07/28/652510728.db2.gz VRSSFFOWWLEMJU-ZDUSSCGKSA-N 1 0 386.338 2.360 20 0 GEADRO CC[N@H+](CCNc1noc2ccc(S(N)(=O)=O)cc21)CCC(F)(F)F ZINC000663840830 652512859 /nfs/dbraw/zinc/51/28/59/652512859.db2.gz DHROFFWZMSBNGQ-UHFFFAOYSA-N 1 0 380.392 2.161 20 0 GEADRO C[C@H](Cc1cnn(C)c1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000584286989 652515263 /nfs/dbraw/zinc/51/52/63/652515263.db2.gz QIPLPTSTPMKFHX-IAQYHMDHSA-N 1 0 386.265 2.282 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000584297726 652515867 /nfs/dbraw/zinc/51/58/67/652515867.db2.gz XFIQAVZLFXWWAY-UHFFFAOYSA-N 1 0 396.329 2.270 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)sc1C(F)(F)F ZINC000584325335 652516458 /nfs/dbraw/zinc/51/64/58/652516458.db2.gz HDSBNRQCRRITNZ-WPRPVWTQSA-N 1 0 378.420 2.254 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)C1CCCC1 ZINC000584341227 652517454 /nfs/dbraw/zinc/51/74/54/652517454.db2.gz LLVWLJDWPUUPCO-ARFHVFGLSA-N 1 0 394.313 2.055 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1I ZINC000584350588 652517694 /nfs/dbraw/zinc/51/76/94/652517694.db2.gz RIWWLLOZMYHXNI-SNVBAGLBSA-N 1 0 384.139 2.157 20 0 GEADRO Cc1nc(CSc2ccc(C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)cs1 ZINC000584350182 652517748 /nfs/dbraw/zinc/51/77/48/652517748.db2.gz VVCBWXFORBIVRN-MRXNPFEDSA-N 1 0 376.551 2.377 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000630898709 652517976 /nfs/dbraw/zinc/51/79/76/652517976.db2.gz ZJCMIILYDPJLPS-UHFFFAOYSA-N 1 0 395.301 2.328 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)ccc1Cl ZINC000631049117 652519092 /nfs/dbraw/zinc/51/90/92/652519092.db2.gz AKXQVOAMYBJTKT-AWEZNQCLSA-N 1 0 386.876 2.067 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000664292830 652526109 /nfs/dbraw/zinc/52/61/09/652526109.db2.gz RYQKVQLKIZWHJV-NSHDSACASA-N 1 0 380.290 2.342 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1ccc2cncc(Br)c2n1 ZINC000631503724 652526040 /nfs/dbraw/zinc/52/60/40/652526040.db2.gz HHKRXKVVQHKSDA-UHFFFAOYSA-N 1 0 381.274 2.090 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H](c2cccc(Br)c2)C2CCC2)C1 ZINC000631634433 652529362 /nfs/dbraw/zinc/52/93/62/652529362.db2.gz JLJWMGLGGANRRN-HZPDHXFCSA-N 1 0 388.327 2.430 20 0 GEADRO CCC[C@H](CCO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631670479 652530848 /nfs/dbraw/zinc/53/08/48/652530848.db2.gz VLNBAZKLVDQPSV-ZYHUDNBSSA-N 1 0 379.320 2.298 20 0 GEADRO CNS(=O)(=O)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000631709530 652532310 /nfs/dbraw/zinc/53/23/10/652532310.db2.gz MLAXCAAKIWORCN-HUUCEWRRSA-N 1 0 391.331 2.198 20 0 GEADRO O=C(CCOc1ccc(Cl)cc1Br)N1CCOC2(C[NH2+]C2)C1 ZINC000664725883 652536787 /nfs/dbraw/zinc/53/67/87/652536787.db2.gz UAEFOKRTYJXPGO-UHFFFAOYSA-N 1 0 389.677 2.072 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000758320213 652537054 /nfs/dbraw/zinc/53/70/54/652537054.db2.gz APCSJYDWLIFXOW-CQSZACIVSA-N 1 0 377.360 2.239 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2cccc(I)c2)CC1 ZINC000585766240 652537468 /nfs/dbraw/zinc/53/74/68/652537468.db2.gz DVEWRRRRJXDTHL-JKSUJKDBSA-N 1 0 386.277 2.322 20 0 GEADRO CCN(C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000664748210 652537919 /nfs/dbraw/zinc/53/79/19/652537919.db2.gz BYHFTHRKVHJWJG-CQSZACIVSA-N 1 0 387.933 2.369 20 0 GEADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000631903039 652539454 /nfs/dbraw/zinc/53/94/54/652539454.db2.gz WWVJUBNRBFKXLO-MRVPVSSYSA-N 1 0 376.301 2.028 20 0 GEADRO [NH3+]C[C@@H](NS(=O)(=O)Cc1ncsc1Br)C1CCCCC1 ZINC000631905701 652539796 /nfs/dbraw/zinc/53/97/96/652539796.db2.gz TYISYNNCNYTXBM-SNVBAGLBSA-N 1 0 382.349 2.233 20 0 GEADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000631907920 652540159 /nfs/dbraw/zinc/54/01/59/652540159.db2.gz XECYNQLVUOZPON-SKDRFNHKSA-N 1 0 397.722 2.148 20 0 GEADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000631911626 652540508 /nfs/dbraw/zinc/54/05/08/652540508.db2.gz MCNILECQXMMXEN-ROUUACIJSA-N 1 0 380.897 2.337 20 0 GEADRO C[C@@H]1CN(C(=O)c2scnc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000758427431 652541079 /nfs/dbraw/zinc/54/10/79/652541079.db2.gz OLELWCYUIZHHQR-VXGBXAGGSA-N 1 0 387.347 2.004 20 0 GEADRO C[NH2+]CCC1CCN(S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000631934040 652541824 /nfs/dbraw/zinc/54/18/24/652541824.db2.gz ZHFFWXCURYQOCI-UHFFFAOYSA-N 1 0 382.349 2.057 20 0 GEADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000631941714 652543144 /nfs/dbraw/zinc/54/31/44/652543144.db2.gz FOJYWIMRPDSHLF-SNVBAGLBSA-N 1 0 397.722 2.068 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000631974005 652543566 /nfs/dbraw/zinc/54/35/66/652543566.db2.gz REPBEOLSBWKXBL-YUMQZZPRSA-N 1 0 383.695 2.221 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)[C@@H]2CCCC[C@@H]2OC)[C@H](C)C1 ZINC000631977015 652543885 /nfs/dbraw/zinc/54/38/85/652543885.db2.gz KJXVVMCBVMWYMK-ZJPYXAASSA-N 1 0 376.563 2.000 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000631978934 652544157 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CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cscc1Br ZINC000632085699 652550477 /nfs/dbraw/zinc/55/04/77/652550477.db2.gz SDEUJIIEQJSTLW-SNVBAGLBSA-N 1 0 385.349 2.146 20 0 GEADRO CC[N@H+](CCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)C(C)C ZINC000588225267 652550828 /nfs/dbraw/zinc/55/08/28/652550828.db2.gz PINYHTVOADTMOM-NSHDSACASA-N 1 0 390.347 2.475 20 0 GEADRO CC[C@H](CSc1ccccc1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632136367 652552845 /nfs/dbraw/zinc/55/28/45/652552845.db2.gz OLPJCSOABXRLTJ-QGZVFWFLSA-N 1 0 385.599 2.114 20 0 GEADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1Br ZINC000665448641 652552915 /nfs/dbraw/zinc/55/29/15/652552915.db2.gz JEXGPCMEWXBUTP-UHFFFAOYSA-N 1 0 385.306 2.241 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000665508657 652553594 /nfs/dbraw/zinc/55/35/94/652553594.db2.gz GUMUEOBDWGNKDO-UHFFFAOYSA-N 1 0 393.289 2.027 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000665577104 652554789 /nfs/dbraw/zinc/55/47/89/652554789.db2.gz IBDJHGINLPISEU-UHFFFAOYSA-N 1 0 381.318 2.006 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ncsc1Br ZINC000588752869 652555842 /nfs/dbraw/zinc/55/58/42/652555842.db2.gz ADAHTPVFYZWGGP-UHFFFAOYSA-N 1 0 392.319 2.251 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000632364840 652559427 /nfs/dbraw/zinc/55/94/27/652559427.db2.gz HBJVGSJXPNJZEG-QGZVFWFLSA-N 1 0 385.961 2.097 20 0 GEADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1nc(C)c(Br)s1 ZINC000632407814 652560993 /nfs/dbraw/zinc/56/09/93/652560993.db2.gz HYDGFIGTULAXND-UHFFFAOYSA-N 1 0 382.349 2.319 20 0 GEADRO COC(=O)CN1CCC([NH2+]Cc2cc(F)c(F)cc2Br)CC1 ZINC000589188048 652561608 /nfs/dbraw/zinc/56/16/08/652561608.db2.gz JYWBVMWHUUSLNM-UHFFFAOYSA-N 1 0 377.229 2.454 20 0 GEADRO COc1ccc(Br)c(NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000665920453 652562486 /nfs/dbraw/zinc/56/24/86/652562486.db2.gz HKNSJIOHCVMIHJ-UHFFFAOYSA-N 1 0 387.322 2.463 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)C[C@H]2CCCC(F)(F)C2)CC1 ZINC000632427024 652562962 /nfs/dbraw/zinc/56/29/62/652562962.db2.gz TYIXPCIBYSQOHZ-HNNXBMFYSA-N 1 0 381.533 2.147 20 0 GEADRO C[N@H+](CCCCNS(=O)(=O)Cc1ncsc1Br)C1CC1 ZINC000632432754 652563762 /nfs/dbraw/zinc/56/37/62/652563762.db2.gz ZEVKUFASDUQGAU-UHFFFAOYSA-N 1 0 382.349 2.199 20 0 GEADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1nc(C(F)(F)F)no1 ZINC000632479232 652566400 /nfs/dbraw/zinc/56/64/00/652566400.db2.gz ACZWRSYDQSFNJV-SECBINFHSA-N 1 0 378.376 2.190 20 0 GEADRO CC(C)[N@H+](C[C@H](O)COc1ccc(CC(N)=O)cc1)C[C@H]1CC1(Cl)Cl ZINC000759279346 652567883 /nfs/dbraw/zinc/56/78/83/652567883.db2.gz QZEWMJUNICELLC-CABCVRRESA-N 1 0 389.323 2.358 20 0 GEADRO Cn1cc(S(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)c(C(F)(F)F)n1 ZINC000632639080 652571113 /nfs/dbraw/zinc/57/11/13/652571113.db2.gz JXEIQCLUOFTRMW-UHFFFAOYSA-N 1 0 380.436 2.078 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000666455202 652577315 /nfs/dbraw/zinc/57/73/15/652577315.db2.gz SJKQGHXFNPKZKQ-YPMHNXCESA-N 1 0 379.258 2.388 20 0 GEADRO CC1(C)OCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000590242885 652577332 /nfs/dbraw/zinc/57/73/32/652577332.db2.gz AKZCQJDZEDUVAO-TZMCWYRMSA-N 1 0 391.249 2.188 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000666546235 652579800 /nfs/dbraw/zinc/57/98/00/652579800.db2.gz KTUVJXPSATUCFG-SFHVURJKSA-N 1 0 396.329 2.138 20 0 GEADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000590752764 652580296 /nfs/dbraw/zinc/58/02/96/652580296.db2.gz YDZBLRPAVBCTRU-OLZOCXBDSA-N 1 0 389.315 2.400 20 0 GEADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000590751343 652580343 /nfs/dbraw/zinc/58/03/43/652580343.db2.gz RLMRVNLEEPKBFO-HIFRSBDPSA-N 1 0 383.286 2.339 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000666601330 652581331 /nfs/dbraw/zinc/58/13/31/652581331.db2.gz QDESQDKTEHANRI-UHFFFAOYSA-N 1 0 386.290 2.500 20 0 GEADRO Cc1cc(Br)c(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000666640026 652582195 /nfs/dbraw/zinc/58/21/95/652582195.db2.gz KCGJZGVXUJJQCW-UHFFFAOYSA-N 1 0 390.347 2.417 20 0 GEADRO C[C@H](CCNC(=O)Nc1cc(Br)cnc1-n1cccn1)[NH+](C)C ZINC000666682246 652583041 /nfs/dbraw/zinc/58/30/41/652583041.db2.gz JHXDGJMNGTVQHO-LLVKDONJSA-N 1 0 381.278 2.492 20 0 GEADRO O=C(Nc1nc(-c2ccsc2)ns1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000666682669 652583103 /nfs/dbraw/zinc/58/31/03/652583103.db2.gz OBGTZZFXIJENAG-ZDUSSCGKSA-N 1 0 379.511 2.330 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000633043037 652583283 /nfs/dbraw/zinc/58/32/83/652583283.db2.gz XYAPAWBFAMQWCK-APPZFPTMSA-N 1 0 394.191 2.355 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000633046455 652583672 /nfs/dbraw/zinc/58/36/72/652583672.db2.gz VVRGZOFASVVGFE-JTQLQIEISA-N 1 0 386.265 2.421 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c(Br)c1 ZINC000633046996 652583678 /nfs/dbraw/zinc/58/36/78/652583678.db2.gz XAIWNTFAGLVZFX-LLVKDONJSA-N 1 0 398.301 2.291 20 0 GEADRO [NH3+]CC1(NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCCCC1 ZINC000633048982 652584107 /nfs/dbraw/zinc/58/41/07/652584107.db2.gz MAIUHSPKEFVGKV-UHFFFAOYSA-N 1 0 390.228 2.444 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000666697699 652584621 /nfs/dbraw/zinc/58/46/21/652584621.db2.gz MMEZVJKYDRLDAE-MRXNPFEDSA-N 1 0 383.290 2.097 20 0 GEADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000633069956 652584771 /nfs/dbraw/zinc/58/47/71/652584771.db2.gz SKBXAHAELJCKNX-IMBTUZDBSA-N 1 0 393.325 2.394 20 0 GEADRO O=C(c1oc2ccccc2c1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000633070214 652584914 /nfs/dbraw/zinc/58/49/14/652584914.db2.gz VQPAPCREQSNUSI-VXGBXAGGSA-N 1 0 379.254 2.476 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCOc2ccccc2Br)C1 ZINC000592098119 652585327 /nfs/dbraw/zinc/58/53/27/652585327.db2.gz XJFAZQZEWGQNMA-AWEZNQCLSA-N 1 0 385.302 2.445 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCOc2cccc(Br)c2)C1 ZINC000592098947 652585416 /nfs/dbraw/zinc/58/54/16/652585416.db2.gz ORGRLLLSYDVRNO-HNNXBMFYSA-N 1 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Cc1cc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)cnc1Cl ZINC000760676655 652620428 /nfs/dbraw/zinc/62/04/28/652620428.db2.gz LQECCLFORGYEKH-UHFFFAOYSA-N 1 0 387.933 2.106 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633943157 652622351 /nfs/dbraw/zinc/62/23/51/652622351.db2.gz DDITZUSDPGWOKZ-UHFFFAOYSA-N 1 0 385.555 2.089 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2sc(Br)cc2C)C[C@H]1[NH+](C)C ZINC000593570348 652624891 /nfs/dbraw/zinc/62/48/91/652624891.db2.gz CUBSQEQKGUUAKS-NXEZZACHSA-N 1 0 399.401 2.485 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761078393 652631970 /nfs/dbraw/zinc/63/19/70/652631970.db2.gz OUJKEHUFIYRSRG-RYUDHWBXSA-N 1 0 387.265 2.254 20 0 GEADRO Cc1c(Br)cncc1CNCC(=O)NCC[NH+]1CCCCCC1 ZINC000668189888 652632093 /nfs/dbraw/zinc/63/20/93/652632093.db2.gz SDROLRPSUCRVJR-UHFFFAOYSA-N 1 0 383.334 2.234 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000761128610 652633364 /nfs/dbraw/zinc/63/33/64/652633364.db2.gz 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GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634703135 652655168 /nfs/dbraw/zinc/65/51/68/652655168.db2.gz QKBOLVPOPZTOGH-WMLDXEAASA-N 1 0 385.302 2.198 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634703133 652655392 /nfs/dbraw/zinc/65/53/92/652655392.db2.gz QKBOLVPOPZTOGH-PBHICJAKSA-N 1 0 385.302 2.198 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C1CC1 ZINC000594459311 652655356 /nfs/dbraw/zinc/65/53/56/652655356.db2.gz LLAPTNGRULSIQS-UHFFFAOYSA-N 1 0 378.853 2.028 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000634712530 652657530 /nfs/dbraw/zinc/65/75/30/652657530.db2.gz HRIORLFEDBOTQS-NUJGCVRESA-N 1 0 397.313 2.056 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)CC1(O)CCOCC1 ZINC000634715795 652658247 /nfs/dbraw/zinc/65/82/47/652658247.db2.gz KCWJXWBLHBAULT-ABAIWWIYSA-N 1 0 388.277 2.458 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000668672651 652659218 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C[C@H](CCC[NH3+])NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638252516 652884326 /nfs/dbraw/zinc/88/43/26/652884326.db2.gz SUOZPFCMFASVBD-IUODEOHRSA-N 1 0 382.302 2.184 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)C[C@H]1[NH+](C)C ZINC000599719535 652885254 /nfs/dbraw/zinc/88/52/54/652885254.db2.gz AFBCYWAXRBLPEA-QJPTWQEYSA-N 1 0 376.448 2.283 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)s1 ZINC000638438119 652889119 /nfs/dbraw/zinc/88/91/19/652889119.db2.gz ZUVUQCGOXKHAAF-KGLIPLIRSA-N 1 0 387.571 2.316 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638426196 652889184 /nfs/dbraw/zinc/88/91/84/652889184.db2.gz AUJWEKYPDSOLML-HZPDHXFCSA-N 1 0 396.329 2.430 20 0 GEADRO O=C(c1cc(Br)ccc1Br)N1CCOC2(C[NH2+]C2)C1 ZINC000638437107 652889256 /nfs/dbraw/zinc/88/92/56/652889256.db2.gz ICFBRWORCMRAQK-UHFFFAOYSA-N 1 0 390.075 2.026 20 0 GEADRO O[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)COc1ccc(F)cc1 ZINC000638423416 652889267 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C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc(CN2CC[NH2+]CC2)nn1 ZINC000640801782 653139951 /nfs/dbraw/zinc/13/99/51/653139951.db2.gz IUUGZQUOYNKLLN-NSHDSACASA-N 1 0 383.283 2.190 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000640801715 653139992 /nfs/dbraw/zinc/13/99/92/653139992.db2.gz XNVXLVKBHKDBFD-VXGBXAGGSA-N 1 0 378.274 2.392 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)Cn1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640836022 653140604 /nfs/dbraw/zinc/14/06/04/653140604.db2.gz QPJAPKPGOLQNIC-HOCLYGCPSA-N 1 0 394.273 2.167 20 0 GEADRO CC[NH+](CC)CCOC(=O)c1c(Cl)ccc(S(=O)(=O)NC)c1Cl ZINC000772181131 653140946 /nfs/dbraw/zinc/14/09/46/653140946.db2.gz JNGJNHKXJUZWAZ-UHFFFAOYSA-N 1 0 383.297 2.400 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000602048966 653142100 /nfs/dbraw/zinc/14/21/00/653142100.db2.gz QKMZDZKECWIAFC-VIFPVBQESA-N 1 0 390.267 2.032 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640880426 653143553 /nfs/dbraw/zinc/14/35/53/653143553.db2.gz JZVWPRXLAFJQFS-WKPIXPDZSA-N 1 0 394.273 2.419 20 0 GEADRO COCC[C@@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640900747 653144895 /nfs/dbraw/zinc/14/48/95/653144895.db2.gz BSYWCWHIWDOGME-NWDGAFQWSA-N 1 0 396.289 2.147 20 0 GEADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccccc2I)CC1 ZINC000769326975 653148957 /nfs/dbraw/zinc/14/89/57/653148957.db2.gz JDKJEHUXWVEJJR-HOTGVXAUSA-N 1 0 386.277 2.322 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602133115 653149662 /nfs/dbraw/zinc/14/96/62/653149662.db2.gz NSWQBAXAKNSJKP-BLLLJJGKSA-N 1 0 383.286 2.463 20 0 GEADRO CS[C@@H]1CN(C(=O)CC2CCN(CC(F)F)CC2)C[C@H]1[NH+]1CCCC1 ZINC000602136360 653149722 /nfs/dbraw/zinc/14/97/22/653149722.db2.gz RLEYTLAOAFBNIP-HZPDHXFCSA-N 1 0 375.529 2.392 20 0 GEADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cnc(Cl)n1C ZINC000769390264 653151062 /nfs/dbraw/zinc/15/10/62/653151062.db2.gz RIZQGDQOJUXHAI-ZFWWWQNUSA-N 1 0 380.901 2.379 20 0 GEADRO OCCCC[NH+]1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000769396047 653152090 /nfs/dbraw/zinc/15/20/90/653152090.db2.gz UXLOFIQOQUBBJX-UHFFFAOYSA-N 1 0 384.311 2.464 20 0 GEADRO Cc1ccc([C@@H](CNS(=O)(=O)c2cnc(Cl)n2C)[NH+]2CCCC2)cc1 ZINC000769402428 653153006 /nfs/dbraw/zinc/15/30/06/653153006.db2.gz IMRNBADQGUKIOQ-OAHLLOKOSA-N 1 0 382.917 2.497 20 0 GEADRO Brc1ccc(-c2noc(Cn3cc(C[NH2+]C4CC4)nn3)n2)s1 ZINC000641048651 653153596 /nfs/dbraw/zinc/15/35/96/653153596.db2.gz WUKSAIUOOMPTFG-UHFFFAOYSA-N 1 0 381.259 2.452 20 0 GEADRO O=C1[C@@H](n2cc([C@H]3CCC[NH2+]C3)nn2)CCN1c1cccc(Br)c1 ZINC000641103775 653155944 /nfs/dbraw/zinc/15/59/44/653155944.db2.gz DSRZTBDYGFONFE-LRDDRELGSA-N 1 0 390.285 2.486 20 0 GEADRO O=C1[C@@H](n2cc(C3CC[NH2+]CC3)nn2)CCN1c1cccc(Br)c1 ZINC000641105698 653156573 /nfs/dbraw/zinc/15/65/73/653156573.db2.gz VMNGJIJTLBEGOD-INIZCTEOSA-N 1 0 390.285 2.486 20 0 GEADRO COc1ccc(Br)cc1CNCc1ccc(S(N)(=O)=O)s1 ZINC000679899909 653158003 /nfs/dbraw/zinc/15/80/03/653158003.db2.gz LBTDAXQQEVQMAX-UHFFFAOYSA-N 1 0 391.312 2.456 20 0 GEADRO [NH3+][C@@H](c1cn(CCOC2CCOCC2)nn1)c1ccc(Br)cc1 ZINC000641126011 653159843 /nfs/dbraw/zinc/15/98/43/653159843.db2.gz VJYHKKCVIIFVOD-MRXNPFEDSA-N 1 0 381.274 2.284 20 0 GEADRO CCCn1c(C)nnc1Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641154383 653162949 /nfs/dbraw/zinc/16/29/49/653162949.db2.gz HMCDTPWJOIYCRB-MRXNPFEDSA-N 1 0 390.289 2.447 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2nc3cc(Br)ccc3[nH]2)nn1)C1CCOCC1 ZINC000641161539 653163298 /nfs/dbraw/zinc/16/32/98/653163298.db2.gz DYKQZVFNWABOIW-MRXNPFEDSA-N 1 0 391.273 2.392 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2nnc3n2CCCC3)nn1)c1ccc(Br)cc1 ZINC000641164793 653164395 /nfs/dbraw/zinc/16/43/95/653164395.db2.gz PSOMPNMMHAWDHD-MRXNPFEDSA-N 1 0 388.273 2.065 20 0 GEADRO COCC[C@H]([NH3+])Cc1cn(Cc2ccc(Br)c(F)c2F)nn1 ZINC000641168134 653165094 /nfs/dbraw/zinc/16/50/94/653165094.db2.gz BWZFEBUGAWNKII-JTQLQIEISA-N 1 0 375.217 2.273 20 0 GEADRO CCc1nnc([C@H](C)n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)[nH]1 ZINC000641209355 653170271 /nfs/dbraw/zinc/17/02/71/653170271.db2.gz URUULZDDGZVOJZ-LKFCYVNXSA-N 1 0 376.262 2.379 20 0 GEADRO COc1ccc(-c2cn(C[C@@H](O)C[N@H+](C)C3CC3)nn2)cc1Br ZINC000641222136 653171147 /nfs/dbraw/zinc/17/11/47/653171147.db2.gz KOCBEDLMSHGTHY-ZDUSSCGKSA-N 1 0 381.274 2.171 20 0 GEADRO C[C@](O)(Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1)C(F)(F)F ZINC000641223421 653171357 /nfs/dbraw/zinc/17/13/57/653171357.db2.gz HJSZFEWOYIVYPH-RYUDHWBXSA-N 1 0 379.180 2.402 20 0 GEADRO C[NH2+]C(C)(C)c1cn(C[C@@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641228725 653171891 /nfs/dbraw/zinc/17/18/91/653171891.db2.gz NJEVRNIJTSHLPR-GFCCVEGCSA-N 1 0 387.253 2.074 20 0 GEADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000772945634 653172542 /nfs/dbraw/zinc/17/25/42/653172542.db2.gz IIBYQHYXHWPFBR-KGLIPLIRSA-N 1 0 383.539 2.040 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nccn2c(Br)cnc12 ZINC000769723407 653172929 /nfs/dbraw/zinc/17/29/29/653172929.db2.gz YLYSWYNWHKCJOL-NEPJUHHUSA-N 1 0 380.290 2.342 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000602350260 653173754 /nfs/dbraw/zinc/17/37/54/653173754.db2.gz XDLNXALIEIOYGW-HUUCEWRRSA-N 1 0 383.286 2.209 20 0 GEADRO CC[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000772960244 653174289 /nfs/dbraw/zinc/17/42/89/653174289.db2.gz FXGMDHUAXKAWAJ-HNNXBMFYSA-N 1 0 391.331 2.152 20 0 GEADRO COc1cc(CS(=O)(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)sn1 ZINC000641278791 653177656 /nfs/dbraw/zinc/17/76/56/653177656.db2.gz KPUQWDIPFFLZSO-KBPBESRZSA-N 1 0 375.560 2.329 20 0 GEADRO C[C@@H](NC(=O)CNC(=O)c1ccc(Br)s1)C1CC[NH+](C)CC1 ZINC000681120181 653178583 /nfs/dbraw/zinc/17/85/83/653178583.db2.gz BTERJSQRUGRAQE-SNVBAGLBSA-N 1 0 388.331 2.087 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O)ccc1S(=O)(=O)C(F)F ZINC000773064025 653179100 /nfs/dbraw/zinc/17/91/00/653179100.db2.gz LTFUOMZKFPHOOM-JOMGAKPTSA-N 1 0 383.482 2.499 20 0 GEADRO C[C@H](NC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000602439809 653181042 /nfs/dbraw/zinc/18/10/42/653181042.db2.gz LBFOFBLVNACMRD-JPQMIFPKSA-N 1 0 378.416 2.263 20 0 GEADRO C[S@](=O)C1(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC[NH2+]CC1 ZINC000602444256 653181697 /nfs/dbraw/zinc/18/16/97/653181697.db2.gz DMSDQDBKNPBGFZ-DEOSSOPVSA-N 1 0 384.914 2.298 20 0 GEADRO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602443864 653181716 /nfs/dbraw/zinc/18/17/16/653181716.db2.gz XSQSSCRTPWJZAO-VWLOTQADSA-N 1 0 378.416 2.044 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nccn2c(Br)cnc12 ZINC000769852718 653181854 /nfs/dbraw/zinc/18/18/54/653181854.db2.gz BPYDGNRBISNYSU-GFCCVEGCSA-N 1 0 380.290 2.486 20 0 GEADRO Cc1cc(C)cc(-c2nnc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)s2)c1 ZINC000602461728 653182976 /nfs/dbraw/zinc/18/29/76/653182976.db2.gz DLYDHHODAKOSSH-RUZDIDTESA-N 1 0 378.523 2.261 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2ccnc(Sc3ccccn3)c2)CC[NH2+]CC1 ZINC000602476740 653185068 /nfs/dbraw/zinc/18/50/68/653185068.db2.gz ZJZFBZNIDXUWJR-RUZDIDTESA-N 1 0 376.507 2.067 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1oc2ccccc2c1Br ZINC000602491418 653186157 /nfs/dbraw/zinc/18/61/57/653186157.db2.gz HVJCHSIQZBSELI-LLVKDONJSA-N 1 0 381.226 2.172 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1oc2ccccc2c1Br ZINC000602491420 653186197 /nfs/dbraw/zinc/18/61/97/653186197.db2.gz HVJCHSIQZBSELI-NSHDSACASA-N 1 0 381.226 2.172 20 0 GEADRO C[S@](=O)C1(C(=O)NCCOCc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000602502213 653186796 /nfs/dbraw/zinc/18/67/96/653186796.db2.gz JZMCKTNLWOOLKE-DEOSSOPVSA-N 1 0 393.336 2.127 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000602533144 653188837 /nfs/dbraw/zinc/18/88/37/653188837.db2.gz LEOFCTIRJWPVQT-OLZOCXBDSA-N 1 0 387.299 2.033 20 0 GEADRO COC(=O)[C@@]1(NC(=O)CC2(C[NH3+])CC2)CCc2cc(Br)ccc2C1 ZINC000602543411 653189608 /nfs/dbraw/zinc/18/96/08/653189608.db2.gz IHFYCEJDHOMHTO-GOSISDBHSA-N 1 0 395.297 2.095 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602580724 653192066 /nfs/dbraw/zinc/19/20/66/653192066.db2.gz ZEPJEFGPYPFNEA-OCCSQVGLSA-N 1 0 381.325 2.272 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602588549 653192903 /nfs/dbraw/zinc/19/29/03/653192903.db2.gz BHYUUTTZMUVPGO-DVOMOZLQSA-N 1 0 381.929 2.154 20 0 GEADRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(I)s1 ZINC000602611188 653194774 /nfs/dbraw/zinc/19/47/74/653194774.db2.gz CYFPSIWUUIOSDB-LBPRGKRZSA-N 1 0 383.251 2.411 20 0 GEADRO CCOC(=O)[C@](C)(C[NH2+]Cc1ccc(S(N)(=O)=O)s1)c1ccccc1 ZINC000602628008 653196097 /nfs/dbraw/zinc/19/60/97/653196097.db2.gz ACTWZYNCKCARJN-QGZVFWFLSA-N 1 0 382.507 2.006 20 0 GEADRO Cc1ccc([C@@](O)(CC(=O)NC[C@]2([NH+](C)C)CCSC2)C(F)(F)F)o1 ZINC000773421187 653198435 /nfs/dbraw/zinc/19/84/35/653198435.db2.gz NANVGKYGGJVJAU-CABCVRRESA-N 1 0 380.432 2.282 20 0 GEADRO C[C@@H](C[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)OC(C)(C)C ZINC000602686316 653200382 /nfs/dbraw/zinc/20/03/82/653200382.db2.gz CIDNWOWSELCOGO-NSHDSACASA-N 1 0 376.906 2.397 20 0 GEADRO CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000807758661 653203293 /nfs/dbraw/zinc/20/32/93/653203293.db2.gz VLXFUYFAADNNAB-OAGGEKHMSA-N 1 0 383.945 2.459 20 0 GEADRO CC1(C)CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CCO ZINC000682034005 653204191 /nfs/dbraw/zinc/20/41/91/653204191.db2.gz BQXYWBIGZILSLF-ZDUSSCGKSA-N 1 0 377.312 2.122 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000682033676 653204357 /nfs/dbraw/zinc/20/43/57/653204357.db2.gz HSINUCFVDMEFIG-HNNXBMFYSA-N 1 0 383.286 2.067 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cc(F)ccc2I)CC1 ZINC000773541962 653205229 /nfs/dbraw/zinc/20/52/29/653205229.db2.gz NTYZBYZCJYFVAC-UHFFFAOYSA-N 1 0 378.185 2.186 20 0 GEADRO CC1(C)CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000682035470 653205442 /nfs/dbraw/zinc/20/54/42/653205442.db2.gz YZJJREOJPWYIJO-CQSZACIVSA-N 1 0 377.312 2.122 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000682052805 653205826 /nfs/dbraw/zinc/20/58/26/653205826.db2.gz USPLOHOQBNRJCJ-GFCCVEGCSA-N 1 0 379.262 2.246 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)cc1Br ZINC000682279426 653206934 /nfs/dbraw/zinc/20/69/34/653206934.db2.gz RVNNLHKGPYQDRU-UHFFFAOYSA-N 1 0 386.290 2.196 20 0 GEADRO COC(=O)CC1([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000602796453 653207140 /nfs/dbraw/zinc/20/71/40/653207140.db2.gz ONCXGKYNLDCDEY-AWEZNQCLSA-N 1 0 392.279 2.435 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCOC1 ZINC000602810859 653207596 /nfs/dbraw/zinc/20/75/96/653207596.db2.gz PCVZSUSQUQAMQK-BBRMVZONSA-N 1 0 378.252 2.045 20 0 GEADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Br)n2)CC1 ZINC000770283254 653207786 /nfs/dbraw/zinc/20/77/86/653207786.db2.gz VUGCDZHLPINGAP-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO Cn1cc(I)c(C(=O)NCCC[NH2+]C2CCCCC2)n1 ZINC000602881574 653211369 /nfs/dbraw/zinc/21/13/69/653211369.db2.gz XOTYGXRRQMYZRB-UHFFFAOYSA-N 1 0 390.269 2.067 20 0 GEADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC1CS(=O)(=O)C1 ZINC000682501046 653216312 /nfs/dbraw/zinc/21/63/12/653216312.db2.gz LMLLKYDLXYRULZ-LLVKDONJSA-N 1 0 378.416 2.447 20 0 GEADRO O=C(c1cccnc1I)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000770554345 653216805 /nfs/dbraw/zinc/21/68/05/653216805.db2.gz PSDYTIBMQGOTEQ-LBPRGKRZSA-N 1 0 385.249 2.244 20 0 GEADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000808120410 653219688 /nfs/dbraw/zinc/21/96/88/653219688.db2.gz PRAJJUIPEYAZDD-UHFFFAOYSA-N 1 0 389.327 2.395 20 0 GEADRO COC(=O)C[C@]1([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCOC1 ZINC000770704021 653221874 /nfs/dbraw/zinc/22/18/74/653221874.db2.gz UPLWGWKXODBAAF-SJKOYZFVSA-N 1 0 392.279 2.435 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCOC1 ZINC000770704020 653222003 /nfs/dbraw/zinc/22/20/03/653222003.db2.gz UPLWGWKXODBAAF-SJCJKPOMSA-N 1 0 392.279 2.435 20 0 GEADRO CS[C@@H]1CN(C(=O)Nc2c(Br)c(C)nn2C)C[C@@H]1[NH+](C)C ZINC000603023113 653222232 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Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000774164834 653227335 /nfs/dbraw/zinc/22/73/35/653227335.db2.gz UVKWQUNVPAOMFQ-GFCCVEGCSA-N 1 0 397.317 2.329 20 0 GEADRO CN(C)c1cc(NCc2cn(C[C@H]3CCOC3)nn2)[nH+]cc1Br ZINC000630953978 653227773 /nfs/dbraw/zinc/22/77/73/653227773.db2.gz CQBYCLIMHJFAIG-LLVKDONJSA-N 1 0 381.278 2.150 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000641650643 653227824 /nfs/dbraw/zinc/22/78/24/653227824.db2.gz RTIBFOTXZJZHEB-UHFFFAOYSA-N 1 0 380.341 2.299 20 0 GEADRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(Cl)s1 ZINC000641667175 653229502 /nfs/dbraw/zinc/22/95/02/653229502.db2.gz BTIZXZNLVIKHAW-HUUCEWRRSA-N 1 0 385.961 2.418 20 0 GEADRO CCOCC(C)(C)C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000808451053 653229747 /nfs/dbraw/zinc/22/97/47/653229747.db2.gz ZTPBFAYFSCJSAM-ZDUSSCGKSA-N 1 0 377.938 2.357 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000641697211 653231149 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20 0 GEADRO [NH3+]C/C=C/CNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000641864694 653235563 /nfs/dbraw/zinc/23/55/63/653235563.db2.gz IIVPBGSCDJUXQV-OWOJBTEDSA-N 1 0 395.301 2.324 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NCC[NH+]3CCCC3)CC2=O)ccc1Br ZINC000641999611 653236409 /nfs/dbraw/zinc/23/64/09/653236409.db2.gz XQNBXMYZZXGNTN-AWEZNQCLSA-N 1 0 394.313 2.322 20 0 GEADRO COC1(CO)CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000683676146 653237435 /nfs/dbraw/zinc/23/74/35/653237435.db2.gz QKUHXILVUUIBDR-CQSZACIVSA-N 1 0 399.329 2.269 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cnc(Br)cc1C ZINC000808977169 653238398 /nfs/dbraw/zinc/23/83/98/653238398.db2.gz YAJMEUXQUDEWDQ-LBPRGKRZSA-N 1 0 385.306 2.328 20 0 GEADRO Cc1sc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000642267262 653241132 /nfs/dbraw/zinc/24/11/32/653241132.db2.gz RFBWZAFVMVLQFL-NXEZZACHSA-N 1 0 380.901 2.413 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000683822821 653241794 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CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c(F)cc1Cl ZINC000809392769 653267211 /nfs/dbraw/zinc/26/72/11/653267211.db2.gz GHIBAZDVHIBQPU-NSHDSACASA-N 1 0 392.880 2.371 20 0 GEADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000774951130 653272767 /nfs/dbraw/zinc/27/27/67/653272767.db2.gz CUDHFBBYBPUXTC-ZNMIVQPWSA-N 1 0 381.567 2.402 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000684553060 653275054 /nfs/dbraw/zinc/27/50/54/653275054.db2.gz YLNAUBRXAFHOGB-CYBMUJFWSA-N 1 0 375.485 2.331 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000684553064 653275388 /nfs/dbraw/zinc/27/53/88/653275388.db2.gz YLNAUBRXAFHOGB-ZDUSSCGKSA-N 1 0 375.485 2.331 20 0 GEADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000857018631 653276342 /nfs/dbraw/zinc/27/63/42/653276342.db2.gz IOWWPRBUAGOEBY-LLVKDONJSA-N 1 0 386.242 2.444 20 0 GEADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)s1 ZINC000684556870 653277048 /nfs/dbraw/zinc/27/70/48/653277048.db2.gz JYJHZLOCNWNBEJ-LBPRGKRZSA-N 1 0 377.495 2.368 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857034618 653278615 /nfs/dbraw/zinc/27/86/15/653278615.db2.gz LHNDDFYASGKBEI-GFCCVEGCSA-N 1 0 386.290 2.453 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc(F)c1Br ZINC000874172634 653279199 /nfs/dbraw/zinc/27/91/99/653279199.db2.gz CWQPZFHYTOYNDQ-BXUZGUMPSA-N 1 0 398.276 2.388 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)CC[C@H]21 ZINC000874171383 653279313 /nfs/dbraw/zinc/27/93/13/653279313.db2.gz CGUZZRNVTYPSGN-QMTHXVAHSA-N 1 0 384.249 2.079 20 0 GEADRO O=C(OCC(COC(=O)[C@H]1CCSC1)[NH+]1CCCCC1)[C@H]1CCSC1 ZINC000857041093 653279325 /nfs/dbraw/zinc/27/93/25/653279325.db2.gz MTWRVUHTKAFTAT-GJZGRUSLSA-N 1 0 387.567 2.434 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3nc(-c4cccs4)cs3)CC[C@H]21 ZINC000874174016 653279834 /nfs/dbraw/zinc/27/98/34/653279834.db2.gz PSWHEDYJQLGROC-WCQYABFASA-N 1 0 376.507 2.363 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(Br)ccc3F)CC[C@H]21 ZINC000874172773 653279940 /nfs/dbraw/zinc/27/99/40/653279940.db2.gz KXHKDSOJROJAKW-IINYFYTJSA-N 1 0 384.249 2.079 20 0 GEADRO C[C@@H](C[NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000809616521 653284310 /nfs/dbraw/zinc/28/43/10/653284310.db2.gz QIYRPVIVNVWWSA-ZDUSSCGKSA-N 1 0 380.432 2.061 20 0 GEADRO C[C@H](C[NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000809616520 653285288 /nfs/dbraw/zinc/28/52/88/653285288.db2.gz QIYRPVIVNVWWSA-CYBMUJFWSA-N 1 0 380.432 2.061 20 0 GEADRO NC(=O)[C@@H](C[NH2+]Cc1ncc(C2OCCO2)s1)Cc1ccccc1Cl ZINC000809639491 653285767 /nfs/dbraw/zinc/28/57/67/653285767.db2.gz LNLCCIDFFZRNHR-GFCCVEGCSA-N 1 0 381.885 2.276 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c(Br)nc2n1CCOC2 ZINC000857122831 653286457 /nfs/dbraw/zinc/28/64/57/653286457.db2.gz DHNKEGZUBQCZME-VXGBXAGGSA-N 1 0 385.306 2.169 20 0 GEADRO CC(C)(C)OC(=O)NCCC[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000775107599 653289563 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2.174 20 0 GEADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775164449 653296804 /nfs/dbraw/zinc/29/68/04/653296804.db2.gz OTJCJWFZKVRVHE-HNNXBMFYSA-N 1 0 384.307 2.209 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)C[C@H]1CCCC(F)(F)C1)N1CC[NH+](C)CC1 ZINC000685296972 653302474 /nfs/dbraw/zinc/30/24/74/653302474.db2.gz XLANOYNAMSOZOF-HOTGVXAUSA-N 1 0 381.533 2.003 20 0 GEADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000775200684 653304187 /nfs/dbraw/zinc/30/41/87/653304187.db2.gz YEMUBMNKTCZELQ-HUUCEWRRSA-N 1 0 384.307 2.077 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](CCO)C[C@@H](C)O ZINC000685589670 653305924 /nfs/dbraw/zinc/30/59/24/653305924.db2.gz DJWOHCLUULCVRM-CQSZACIVSA-N 1 0 387.318 2.460 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1F ZINC000713323714 653323982 /nfs/dbraw/zinc/32/39/82/653323982.db2.gz KUSDEYVXICBWER-UHFFFAOYSA-N 1 0 379.173 2.100 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCOc2ccc(Br)cc2C1 ZINC000685598977 653306858 /nfs/dbraw/zinc/30/68/58/653306858.db2.gz XVOKSPZOZKQMIV-UHFFFAOYSA-N 1 0 391.331 2.315 20 0 GEADRO COC1CC[NH+](CCNCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000685617966 653310133 /nfs/dbraw/zinc/31/01/33/653310133.db2.gz VTGJZMOIAALDLC-UHFFFAOYSA-N 1 0 394.317 2.230 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C1 ZINC000685716245 653311812 /nfs/dbraw/zinc/31/18/12/653311812.db2.gz HZKNKWAFWKMTNF-LLVKDONJSA-N 1 0 382.814 2.091 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000874363188 653312465 /nfs/dbraw/zinc/31/24/65/653312465.db2.gz NTWZCNXLUIWSIH-UONOGXRCSA-N 1 0 384.249 2.222 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000775394149 653312803 /nfs/dbraw/zinc/31/28/03/653312803.db2.gz CTAIUKMXUFCRGR-MELADBBJSA-N 1 0 378.535 2.160 20 0 GEADRO CN(CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)S(=O)(=O)c1cccs1 ZINC000775415500 653313141 /nfs/dbraw/zinc/31/31/41/653313141.db2.gz SMCCOZBUGSNDBC-MBNYWOFBSA-N 1 0 378.610 2.338 20 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653318523 /nfs/dbraw/zinc/31/85/23/653318523.db2.gz JZVFJFCPJCLKPB-GJZGRUSLSA-N 1 0 395.301 2.232 20 0 GEADRO CCn1ncc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1Br ZINC000874441217 653318904 /nfs/dbraw/zinc/31/89/04/653318904.db2.gz JBRIVFWPOHZZGM-UHFFFAOYSA-N 1 0 380.290 2.265 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000810047298 653318952 /nfs/dbraw/zinc/31/89/52/653318952.db2.gz BCSAVFQGBUKDOT-UHFFFAOYSA-N 1 0 377.551 2.085 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc(Br)cc1Cl)C2 ZINC000703538315 653320713 /nfs/dbraw/zinc/32/07/13/653320713.db2.gz JASRNFSVOAXREO-TVQRCGJNSA-N 1 0 379.707 2.333 20 0 GEADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)C2(Br)CC2)cc1 ZINC000874462757 653321246 /nfs/dbraw/zinc/32/12/46/653321246.db2.gz ZGORPFGDOALDJZ-UHFFFAOYSA-N 1 0 380.286 2.378 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2cncc(Br)c2)C1 ZINC000705059907 653321331 /nfs/dbraw/zinc/32/13/31/653321331.db2.gz XMKFRSNDAGYJBU-MRXNPFEDSA-N 1 0 386.290 2.306 20 0 GEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncnc(F)c1Br ZINC000711190210 653323414 /nfs/dbraw/zinc/32/34/14/653323414.db2.gz KBPMORJMMJFGDK-KRWDZBQOSA-N 1 0 395.276 2.451 20 0 GEADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000715123408 653324741 /nfs/dbraw/zinc/32/47/41/653324741.db2.gz QWCRPKJVJMJNRW-XWEPSHTISA-N 1 0 398.120 2.227 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@@H]1[NH+](C)C ZINC000775725236 653326062 /nfs/dbraw/zinc/32/60/62/653326062.db2.gz KJLPDPVKCYCRAC-BQBZGAKWSA-N 1 0 390.399 2.048 20 0 GEADRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)nc1 ZINC000810232540 653331826 /nfs/dbraw/zinc/33/18/26/653331826.db2.gz IHYGVCNZORJGDT-MJVIPROJSA-N 1 0 378.274 2.422 20 0 GEADRO C[NH+]1CCC2(CCCN(C(=O)c3c(Br)nc4n3CCOC4)C2)CC1 ZINC000857718424 653334856 /nfs/dbraw/zinc/33/48/56/653334856.db2.gz MVRJRNVBNKBNEG-UHFFFAOYSA-N 1 0 397.317 2.124 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000776047197 653336020 /nfs/dbraw/zinc/33/60/20/653336020.db2.gz CUDDCEGTTJUWEE-GFCCVEGCSA-N 1 0 384.322 2.158 20 0 GEADRO Cn1nnc(Br)c1C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000810363696 653336198 /nfs/dbraw/zinc/33/61/98/653336198.db2.gz AGLSQCRBGBNWAJ-UHFFFAOYSA-N 1 0 393.289 2.283 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000874828266 653338416 /nfs/dbraw/zinc/33/84/16/653338416.db2.gz GRBWXFMUMKCHFI-OLZOCXBDSA-N 1 0 379.258 2.340 20 0 GEADRO CN1C[C@H](C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)CC1=O ZINC000857883344 653341702 /nfs/dbraw/zinc/34/17/02/653341702.db2.gz RELPTGSUEZIDAN-UKRRQHHQSA-N 1 0 394.313 2.137 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000836349481 653346070 /nfs/dbraw/zinc/34/60/70/653346070.db2.gz JYRQKHYRWJTANF-XJKSGUPXSA-N 1 0 393.359 2.202 20 0 GEADRO C[NH+]1CCC(NC(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000874999186 653346227 /nfs/dbraw/zinc/34/62/27/653346227.db2.gz QYMAKYBAWMBBIL-KRWDZBQOSA-N 1 0 384.318 2.136 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c(Br)n1 ZINC000858111761 653348961 /nfs/dbraw/zinc/34/89/61/653348961.db2.gz RWUGLZPUHDSIIO-INIZCTEOSA-N 1 0 397.292 2.485 20 0 GEADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@@H](CO)COC)cc1Br ZINC000858165908 653352339 /nfs/dbraw/zinc/35/23/39/653352339.db2.gz RQEXVLKLVPNARW-JQWIXIFHSA-N 1 0 380.254 2.367 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCSCCC(F)(F)F ZINC000875122310 653353179 /nfs/dbraw/zinc/35/31/79/653353179.db2.gz MGVTVZHFKJWHEF-CHWSQXEVSA-N 1 0 383.480 2.025 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NC[C@@H]1COCCO1)c1ccc(Cl)c(Cl)c1 ZINC000875129575 653353530 /nfs/dbraw/zinc/35/35/30/653353530.db2.gz SLVWLUQSSQIGRM-DOMZBBRYSA-N 1 0 376.284 2.311 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000875132479 653354160 /nfs/dbraw/zinc/35/41/60/653354160.db2.gz QVQFRCAXQBBCFV-NOLJZWGESA-N 1 0 394.313 2.179 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCc1ncc(Cl)s1)[N@H+](C)Cc1ccccc1 ZINC000875206148 653358063 /nfs/dbraw/zinc/35/80/63/653358063.db2.gz HZYCNXTVEBLYEG-GFCCVEGCSA-N 1 0 380.901 2.049 20 0 GEADRO Cn1nnc(Br)c1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000810806719 653359081 /nfs/dbraw/zinc/35/90/81/653359081.db2.gz XCCLZNLZZZYFFQ-UHFFFAOYSA-N 1 0 382.262 2.160 20 0 GEADRO C[C@H](NC(=O)C(=O)NCc1ncc(Cl)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000875307898 653363093 /nfs/dbraw/zinc/36/30/93/653363093.db2.gz RQRBIQNJILBTIB-NWDGAFQWSA-N 1 0 384.933 2.182 20 0 GEADRO Cn1nc(Cl)c(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1Cl ZINC000858437168 653363894 /nfs/dbraw/zinc/36/38/94/653363894.db2.gz WJUPJNJSYKEXCP-UHFFFAOYSA-N 1 0 384.267 2.271 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)nc1 ZINC000858465360 653365305 /nfs/dbraw/zinc/36/53/05/653365305.db2.gz DTXJUKXHQCWVEP-SUMWQHHRSA-N 1 0 384.318 2.111 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)nc1 ZINC000858490245 653365671 /nfs/dbraw/zinc/36/56/71/653365671.db2.gz WJWVJIQGNARIEW-DGCLKSJQSA-N 1 0 388.273 2.211 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(Br)ncc1F ZINC000858498651 653366065 /nfs/dbraw/zinc/36/60/65/653366065.db2.gz SXIIDSGNIBLTQP-ZWKOPEQDSA-N 1 0 394.310 2.494 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000858542162 653367628 /nfs/dbraw/zinc/36/76/28/653367628.db2.gz SWFMCFPTORAYAT-UHFFFAOYSA-N 1 0 383.286 2.354 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000858606966 653368970 /nfs/dbraw/zinc/36/89/70/653368970.db2.gz RSKRDEOVSXYOMS-QWRGUYRKSA-N 1 0 375.878 2.185 20 0 GEADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)cnc1Cl ZINC000858618586 653371107 /nfs/dbraw/zinc/37/11/07/653371107.db2.gz DDXFFHXBKORHRP-JTQLQIEISA-N 1 0 380.695 2.060 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1Br ZINC000858633246 653372362 /nfs/dbraw/zinc/37/23/62/653372362.db2.gz XEESHTCADUNUHS-MWLCHTKSSA-N 1 0 375.288 2.071 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000836764755 653376083 /nfs/dbraw/zinc/37/60/83/653376083.db2.gz UQMOALCTBGHQJF-UHFFFAOYSA-N 1 0 383.290 2.481 20 0 GEADRO Cc1cc(Br)nc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000836766709 653376339 /nfs/dbraw/zinc/37/63/39/653376339.db2.gz OIYAOFNFUYOLFO-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)NCCn3cc(Br)cn3)CC2)CC1 ZINC000875579716 653378250 /nfs/dbraw/zinc/37/82/50/653378250.db2.gz OFZYHJPYIXQIIB-UHFFFAOYSA-N 1 0 384.322 2.163 20 0 GEADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858876569 653381504 /nfs/dbraw/zinc/38/15/04/653381504.db2.gz FOWLIHLGGYZBQN-UHFFFAOYSA-N 1 0 381.420 2.054 20 0 GEADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2c(Cl)nc(Cl)n2C)CC1 ZINC000776957650 653382069 /nfs/dbraw/zinc/38/20/69/653382069.db2.gz DUUZJJLAHSNXND-UHFFFAOYSA-N 1 0 383.345 2.267 20 0 GEADRO C[N@H+](CCNS(=O)(=O)c1ccc(Br)nc1F)C1CCCC1 ZINC000858949268 653387050 /nfs/dbraw/zinc/38/70/50/653387050.db2.gz MAFRQHCEHFPXKF-UHFFFAOYSA-N 1 0 380.283 2.136 20 0 GEADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)OCc2ncsc2Br)cn1 ZINC000875799805 653391433 /nfs/dbraw/zinc/39/14/33/653391433.db2.gz WVSTYMGHBSZMKR-RYUDHWBXSA-N 1 0 399.314 2.418 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1nc(Br)sc1C1CC1 ZINC000811542591 653396763 /nfs/dbraw/zinc/39/67/63/653396763.db2.gz COUALHDDYKKMIH-UHFFFAOYSA-N 1 0 389.363 2.396 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000777476375 653399548 /nfs/dbraw/zinc/39/95/48/653399548.db2.gz KTQBSLUZJUTXGZ-LBPRGKRZSA-N 1 0 380.505 2.095 20 0 GEADRO CSc1ccc(/C=C\C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)s1 ZINC000859086828 653403202 /nfs/dbraw/zinc/40/32/02/653403202.db2.gz PJKYQJKXHCFLFE-ZDTYVGOBSA-N 1 0 379.551 2.424 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3scnc3Br)nc2)CC1 ZINC000777797159 653407323 /nfs/dbraw/zinc/40/73/23/653407323.db2.gz MWXOYEPFALFMOM-UHFFFAOYSA-N 1 0 382.287 2.305 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859126417 653410010 /nfs/dbraw/zinc/41/00/10/653410010.db2.gz 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GEADRO C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2F)C[C@H](C)[N@H+]1CCO ZINC000838444080 653621955 /nfs/dbraw/zinc/62/19/55/653621955.db2.gz JCUMHAARAQYWOO-TXEJJXNPSA-N 1 0 388.281 2.185 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(Br)cnc1F ZINC000860312672 653624148 /nfs/dbraw/zinc/62/41/48/653624148.db2.gz MEEKRQZKOGJOOG-KWCYVHTRSA-N 1 0 386.265 2.307 20 0 GEADRO C[NH+]1CCC(NC(=O)CN2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000877994993 653625576 /nfs/dbraw/zinc/62/55/76/653625576.db2.gz AVTBCMHUCVKEBT-KRWDZBQOSA-N 1 0 396.329 2.033 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(Cn3nc(C(F)(F)F)sc3=S)CC2)C1 ZINC000780440213 653625767 /nfs/dbraw/zinc/62/57/67/653625767.db2.gz SMVAOZSINWQUCI-NSHDSACASA-N 1 0 381.493 2.362 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000780545594 653627863 /nfs/dbraw/zinc/62/78/63/653627863.db2.gz JJZTVVGXHMBSAC-UHFFFAOYSA-N 1 0 387.322 2.195 20 0 GEADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC000814379026 653627980 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NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000781328530 653640451 /nfs/dbraw/zinc/64/04/51/653640451.db2.gz KHEKQUCSBIHVQB-LBPRGKRZSA-N 1 0 383.461 2.304 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000860917594 653640754 /nfs/dbraw/zinc/64/07/54/653640754.db2.gz OKVIMLCNMVBUHI-UHFFFAOYSA-N 1 0 396.329 2.408 20 0 GEADRO CN(C(=O)[C@H]1CC[N@H+](C[C@@H](O)c2cc(Br)no2)C1)c1ccccc1 ZINC000878548642 653640883 /nfs/dbraw/zinc/64/08/83/653640883.db2.gz ZUUVDRIZWNKMBE-GXTWGEPZSA-N 1 0 394.269 2.455 20 0 GEADRO CS(=O)(=O)NCC1CC[NH+](CCc2ccccc2Br)CC1 ZINC000878603003 653642264 /nfs/dbraw/zinc/64/22/64/653642264.db2.gz MSZOWZMFHHKNIQ-UHFFFAOYSA-N 1 0 375.332 2.253 20 0 GEADRO CCn1ncc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)n1 ZINC000839127090 653642901 /nfs/dbraw/zinc/64/29/01/653642901.db2.gz FOLMOJFNXCCPIY-ZDUSSCGKSA-N 1 0 383.290 2.010 20 0 GEADRO C[C@@](O)(C[N@@H+]1CCC[C@](O)(CO)C1)c1ccc(Br)cc1Cl ZINC000839148045 653643298 /nfs/dbraw/zinc/64/32/98/653643298.db2.gz VRLAOBLDSPKFMP-HUUCEWRRSA-N 1 0 378.694 2.129 20 0 GEADRO OC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccc(Br)c(F)c1 ZINC000878645259 653643458 /nfs/dbraw/zinc/64/34/58/653643458.db2.gz JCMPEDJWTBOUEP-SWLSCSKDSA-N 1 0 376.266 2.267 20 0 GEADRO Cn1nccc1[C@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000839186502 653644252 /nfs/dbraw/zinc/64/42/52/653644252.db2.gz MMWNIDLVXWUXKE-ZFWWWQNUSA-N 1 0 388.693 2.367 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(CCc3ccccc3Br)CC2)CCN1 ZINC000878686984 653644455 /nfs/dbraw/zinc/64/44/55/653644455.db2.gz IVOOYBIXASDCGG-INIZCTEOSA-N 1 0 380.330 2.278 20 0 GEADRO O=c1cc([C@@H]2CC[N@@H+](C[C@H](O)c3ccc(Br)cc3)C2)[nH]c(=O)[nH]1 ZINC000878794702 653647576 /nfs/dbraw/zinc/64/75/76/653647576.db2.gz FXQWWKMLSFMGEE-RISCZKNCSA-N 1 0 380.242 2.173 20 0 GEADRO C[C@@H](Sc1nc(CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cs1)C(N)=O ZINC000878866428 653649821 /nfs/dbraw/zinc/64/98/21/653649821.db2.gz BQUAOFLEMCYSTL-DGCLKSJQSA-N 1 0 386.587 2.134 20 0 GEADRO C[C@@H]1CN(C[C@](C)(O)c2ccc(Br)cc2Cl)CC[N@@H+]1CCO ZINC000815096903 653651652 /nfs/dbraw/zinc/65/16/52/653651652.db2.gz XEQYWHKJFYNXAC-WBMJQRKESA-N 1 0 391.737 2.308 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CCN(C)C1 ZINC000781917775 653651935 /nfs/dbraw/zinc/65/19/35/653651935.db2.gz HWOKWUDHVOVIGC-AWEZNQCLSA-N 1 0 385.302 2.493 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(Br)cc1O ZINC000781958264 653652602 /nfs/dbraw/zinc/65/26/02/653652602.db2.gz UAEUFJVBVJLVOD-VYDXJSESSA-N 1 0 397.313 2.407 20 0 GEADRO O[C@@]1(CN2CCn3ncc(Br)c3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000878962803 653653567 /nfs/dbraw/zinc/65/35/67/653653567.db2.gz YPDNXSJFSHUDNH-SFHVURJKSA-N 1 0 391.313 2.098 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000782077146 653654768 /nfs/dbraw/zinc/65/47/68/653654768.db2.gz IMKUFOMTWNUXKQ-LBPRGKRZSA-N 1 0 385.306 2.461 20 0 GEADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000861352364 653655505 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C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(OC(F)F)c(Br)c1 ZINC000879276263 653664375 /nfs/dbraw/zinc/66/43/75/653664375.db2.gz ACGDYKVJUVQXSO-AWEZNQCLSA-N 1 0 381.217 2.093 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(Br)c1 ZINC000861690110 653664791 /nfs/dbraw/zinc/66/47/91/653664791.db2.gz LVVNOMMSDGAAJT-ZWNOBZJWSA-N 1 0 384.274 2.175 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cn2c(Br)cnc2s1 ZINC000815772003 653664968 /nfs/dbraw/zinc/66/49/68/653664968.db2.gz QOXDGCBZZOMSLN-SNVBAGLBSA-N 1 0 389.319 2.245 20 0 GEADRO CCN1CC[C@H]2OCCN(C(=O)c3cc(Br)cc(C=O)c3)[C@H]2C1 ZINC000861832542 653668258 /nfs/dbraw/zinc/66/82/58/653668258.db2.gz IAJRBKIMLOVKLD-JKSUJKDBSA-N 1 0 381.270 2.197 20 0 GEADRO C[C@H](CCNC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)[NH+]1CCCCC1 ZINC000879459014 653669505 /nfs/dbraw/zinc/66/95/05/653669505.db2.gz MOHCDSUVBWSUTC-OLZOCXBDSA-N 1 0 384.571 2.032 20 0 GEADRO CSc1ccc(/C=C/C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)s1 ZINC000861927752 653671162 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O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000863549143 653715424 /nfs/dbraw/zinc/71/54/24/653715424.db2.gz APCOPDWUSZKORN-CVEARBPZSA-N 1 0 398.276 2.345 20 0 GEADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C3SCCCS3)cc2)CC1 ZINC000841400490 653715455 /nfs/dbraw/zinc/71/54/55/653715455.db2.gz MDXYQVUVDMYTAQ-UHFFFAOYSA-N 1 0 381.567 2.448 20 0 GEADRO CC(C)([NH3+])c1noc(CN2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)n1 ZINC000863562770 653715604 /nfs/dbraw/zinc/71/56/04/653715604.db2.gz LJKWVAKELDFFBG-TZMCWYRMSA-N 1 0 381.274 2.334 20 0 GEADRO O=S(=O)(CCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000863573342 653715974 /nfs/dbraw/zinc/71/59/74/653715974.db2.gz VSZVUCXMVJUNIR-QGZVFWFLSA-N 1 0 386.945 2.204 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000863763516 653719771 /nfs/dbraw/zinc/71/97/71/653719771.db2.gz DWGIEBJVTATWAM-WDEREUQCSA-N 1 0 376.284 2.025 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1sc2c(c1C(=O)OC)CCOC2 ZINC000841482883 653719840 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Cn1ncc(I)c1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000864053704 653725075 /nfs/dbraw/zinc/72/50/75/653725075.db2.gz MVIVXCGHLHUFNF-RISCZKNCSA-N 1 0 375.254 2.320 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc2scnc21 ZINC000841507437 653723004 /nfs/dbraw/zinc/72/30/04/653723004.db2.gz IMKJWTOUIGUVRO-HZSPNIEDSA-N 1 0 381.523 2.169 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1cn(-c2ccccc2Br)nn1)C1CCCC1 ZINC000818001170 653723441 /nfs/dbraw/zinc/72/34/41/653723441.db2.gz GPUDQWGRJHCFEI-CYBMUJFWSA-N 1 0 378.274 2.277 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000818003175 653723508 /nfs/dbraw/zinc/72/35/08/653723508.db2.gz OZPGWOLVVQCDPS-HNNXBMFYSA-N 1 0 389.949 2.472 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000818012273 653723903 /nfs/dbraw/zinc/72/39/03/653723903.db2.gz LSFUIVYNDHUOSE-LBPRGKRZSA-N 1 0 395.253 2.054 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000818020754 653724018 /nfs/dbraw/zinc/72/40/18/653724018.db2.gz KDIVHYHIUVOWCA-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)c2cn(-c3ccccc3Br)nn2)C[C@H]1C[NH3+] ZINC000818023215 653724052 /nfs/dbraw/zinc/72/40/52/653724052.db2.gz IAQIEAZTCZLQIX-FRRDWIJNSA-N 1 0 392.301 2.475 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[N@H+]1C ZINC000881270557 653724147 /nfs/dbraw/zinc/72/41/47/653724147.db2.gz GETJFHFEAUDYFS-ZJUUUORDSA-N 1 0 397.273 2.336 20 0 GEADRO CCC1([NH+](C)C)CCN(Cc2c(I)cnn2C)CC1 ZINC000864051010 653724829 /nfs/dbraw/zinc/72/48/29/653724829.db2.gz XYXBXOLXAAVOFE-UHFFFAOYSA-N 1 0 376.286 2.331 20 0 GEADRO C[NH+](C)CC1(NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CCC1 ZINC000881272185 653725084 /nfs/dbraw/zinc/72/50/84/653725084.db2.gz QBJDLEXMWWJNPN-UHFFFAOYSA-N 1 0 397.273 2.386 20 0 GEADRO C[NH+](C)CC(C)(C)NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000841530275 653728281 /nfs/dbraw/zinc/72/82/81/653728281.db2.gz RSFHVLRSKHNJHQ-UHFFFAOYSA-N 1 0 389.315 2.442 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)c2cccc(Br)c2)nn1)C1CCOCC1 ZINC000881406735 653729841 /nfs/dbraw/zinc/72/98/41/653729841.db2.gz KVPJYKJOBIYJMK-CVEARBPZSA-N 1 0 381.274 2.201 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H](O)c2ccc(F)c(Br)c2)nn1)C1CCOCC1 ZINC000881417835 653730291 /nfs/dbraw/zinc/73/02/91/653730291.db2.gz PGXRPTXPHKUQIU-HOTGVXAUSA-N 1 0 399.264 2.340 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000881466437 653732212 /nfs/dbraw/zinc/73/22/12/653732212.db2.gz WGWRCISTBVLFJF-OLZOCXBDSA-N 1 0 377.539 2.381 20 0 GEADRO O=C(c1cc(Br)cnc1F)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881479116 653732327 /nfs/dbraw/zinc/73/23/27/653732327.db2.gz QJUOADJGLIMOPN-ZDUSSCGKSA-N 1 0 386.265 2.356 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818554511 653733312 /nfs/dbraw/zinc/73/33/12/653733312.db2.gz RKVCTPKBFBXYQE-UHFFFAOYSA-N 1 0 377.304 2.100 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000818585531 653734101 /nfs/dbraw/zinc/73/41/01/653734101.db2.gz GGDKZZVXNJDYFY-OAHLLOKOSA-N 1 0 396.329 2.146 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cc(Cl)ncc2Cl)CC1 ZINC000881624259 653734161 /nfs/dbraw/zinc/73/41/61/653734161.db2.gz KOXDTEZQXCRLIW-UHFFFAOYSA-N 1 0 385.295 2.334 20 0 GEADRO C[C@]1(CC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1(Cl)Cl ZINC000881625839 653734256 /nfs/dbraw/zinc/73/42/56/653734256.db2.gz VMLRGALPKJTVRW-HNNXBMFYSA-N 1 0 376.328 2.293 20 0 GEADRO Cn1nc(Br)cc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000787130154 653734752 /nfs/dbraw/zinc/73/47/52/653734752.db2.gz PYFDUJSMLJNSQR-UHFFFAOYSA-N 1 0 399.255 2.269 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000818957674 653739377 /nfs/dbraw/zinc/73/93/77/653739377.db2.gz YOUCKSNNOPCSPQ-MRXNPFEDSA-N 1 0 378.897 2.306 20 0 GEADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000818997793 653740310 /nfs/dbraw/zinc/74/03/10/653740310.db2.gz LDHUXFQXQOAGCD-IRXDYDNUSA-N 1 0 398.345 2.015 20 0 GEADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818997495 653740389 /nfs/dbraw/zinc/74/03/89/653740389.db2.gz BUNPPPFZEDYNGS-IRXDYDNUSA-N 1 0 398.345 2.015 20 0 GEADRO COC(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819002042 653740580 /nfs/dbraw/zinc/74/05/80/653740580.db2.gz HSDCZMIONFMEMQ-FZMZJTMJSA-N 1 0 375.238 2.442 20 0 GEADRO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000819009996 653740777 /nfs/dbraw/zinc/74/07/77/653740777.db2.gz XNBOVBQRBRCBLB-KRWDZBQOSA-N 1 0 392.297 2.168 20 0 GEADRO C[C@@](O)(C[NH2+]CCN1CCOCC1(C)C)c1ccc(Br)cc1F ZINC000819014392 653740943 /nfs/dbraw/zinc/74/09/43/653740943.db2.gz PEALNXVSVRZGCE-QGZVFWFLSA-N 1 0 389.309 2.496 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)NCCSC(F)(F)F)[NH+]1CCC(C)CC1 ZINC000787618433 653741073 /nfs/dbraw/zinc/74/10/73/653741073.db2.gz WXRVMNUHCVVVRY-CYBMUJFWSA-N 1 0 383.480 2.228 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCN1CC(F)(F)F ZINC000819053041 653741529 /nfs/dbraw/zinc/74/15/29/653741529.db2.gz AHOJEDOFAUBXHI-NWDGAFQWSA-N 1 0 381.192 2.235 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]C[C@H](O)c2cccc(F)c2)CC1)C(F)(F)F ZINC000819055076 653741777 /nfs/dbraw/zinc/74/17/77/653741777.db2.gz OFZWZBIRIMYGMA-AWEZNQCLSA-N 1 0 384.395 2.010 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCN1CC(F)(F)F ZINC000819055889 653741850 /nfs/dbraw/zinc/74/18/50/653741850.db2.gz SRONWCYEHOCNFO-RYUDHWBXSA-N 1 0 381.192 2.235 20 0 GEADRO CCOC(=O)C(F)(F)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000864643367 653742742 /nfs/dbraw/zinc/74/27/42/653742742.db2.gz FRQBTWZCSMLUES-NSHDSACASA-N 1 0 375.173 2.201 20 0 GEADRO C[C@]12CCN(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)C[C@H]1C2(Cl)Cl ZINC000841995725 653743275 /nfs/dbraw/zinc/74/32/75/653743275.db2.gz PATDGSHYAROSIT-BOXZVXIZSA-N 1 0 389.371 2.428 20 0 GEADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H]1SCCc2ccccc21 ZINC000819132669 653744280 /nfs/dbraw/zinc/74/42/80/653744280.db2.gz GXZUXZPZKGKCII-MRXNPFEDSA-N 1 0 385.551 2.363 20 0 GEADRO CCOC(=O)c1nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Br ZINC000881868534 653745059 /nfs/dbraw/zinc/74/50/59/653745059.db2.gz HJRNJTJJPYYJCF-NEPJUHHUSA-N 1 0 384.274 2.296 20 0 GEADRO COC(=O)N1CC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819178323 653745341 /nfs/dbraw/zinc/74/53/41/653745341.db2.gz UWNYSMDAJIQQRO-CQSZACIVSA-N 1 0 377.666 2.350 20 0 GEADRO CN(C[C@H](O)C[NH2+]Cc1ccc(O)c(Br)c1)C(=O)OC(C)(C)C ZINC000819176068 653745401 /nfs/dbraw/zinc/74/54/01/653745401.db2.gz HIZRBFXNTAJEHF-GFCCVEGCSA-N 1 0 389.290 2.472 20 0 GEADRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000819186684 653745851 /nfs/dbraw/zinc/74/58/51/653745851.db2.gz VHIIZSZIDBENNK-ZDUSSCGKSA-N 1 0 392.905 2.451 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000819201228 653746171 /nfs/dbraw/zinc/74/61/71/653746171.db2.gz KMKVSURUTNUHCF-QWHCGFSZSA-N 1 0 383.286 2.359 20 0 GEADRO C[NH+](C)CCCOC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000842140735 653746492 /nfs/dbraw/zinc/74/64/92/653746492.db2.gz DCDCYZSPRXKVPR-UHFFFAOYSA-N 1 0 378.288 2.108 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCSCc1ccnc(Cl)c1 ZINC000842182161 653747303 /nfs/dbraw/zinc/74/73/03/653747303.db2.gz JIMINCFUIZYRFT-ZIAGYGMSSA-N 1 0 386.949 2.065 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)ccc1S(N)(=O)=O ZINC000819268826 653747593 /nfs/dbraw/zinc/74/75/93/653747593.db2.gz WNEHCWUSWDSUIH-OAHLLOKOSA-N 1 0 399.310 2.228 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000864883915 653747742 /nfs/dbraw/zinc/74/77/42/653747742.db2.gz FCHNEHRSYAZVQI-IKGGRYGDSA-N 1 0 394.313 2.369 20 0 GEADRO C[C@@H](NC(=O)NCCOCC[NH+](C)C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000788019371 653747739 /nfs/dbraw/zinc/74/77/39/653747739.db2.gz SQHKLGXOOLUCGD-IAQYHMDHSA-N 1 0 378.300 2.293 20 0 GEADRO C[C@H](NC(=O)NCCOCC[NH+](C)C)[C@H](O)c1c(Cl)cccc1Cl ZINC000788019376 653747747 /nfs/dbraw/zinc/74/77/47/653747747.db2.gz SQHKLGXOOLUCGD-NHYWBVRUSA-N 1 0 378.300 2.293 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1Br ZINC000864892228 653747949 /nfs/dbraw/zinc/74/79/49/653747949.db2.gz GZLKYTBVIKADFV-UHFFFAOYSA-N 1 0 399.333 2.411 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)C1 ZINC000842204508 653747897 /nfs/dbraw/zinc/74/78/97/653747897.db2.gz KRQWZCKUKLIKEK-SNVBAGLBSA-N 1 0 378.782 2.245 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc(Br)cc2)CCCC1 ZINC000819307723 653748705 /nfs/dbraw/zinc/74/87/05/653748705.db2.gz FKOVMQPEDRAFIL-AWEZNQCLSA-N 1 0 376.316 2.430 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000819308654 653748861 /nfs/dbraw/zinc/74/88/61/653748861.db2.gz XODGIQXSQGRGQQ-DOMZBBRYSA-N 1 0 380.432 2.143 20 0 GEADRO COc1ccc(Br)c([C@@H]2C(=O)N(CC[N@H+](C)C3CC3)C(=O)N2C)c1 ZINC000842237268 653749144 /nfs/dbraw/zinc/74/91/44/653749144.db2.gz CBZGRLUOGBZZTJ-OAHLLOKOSA-N 1 0 396.285 2.487 20 0 GEADRO C[N@H+](CCN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O)C1CC1 ZINC000842237561 653749159 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O=C(CSCc1cc(=O)n2ccsc2n1)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788119412 653750286 /nfs/dbraw/zinc/75/02/86/653750286.db2.gz XURJIOODTPJMQQ-ZIAGYGMSSA-N 1 0 379.507 2.159 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)[C@H](C)C1 ZINC000881932810 653751338 /nfs/dbraw/zinc/75/13/38/653751338.db2.gz TXGKKPVEOPMFLR-KKAKJJSRSA-N 1 0 379.592 2.324 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000881942708 653752092 /nfs/dbraw/zinc/75/20/92/653752092.db2.gz CJOZUWGWLINFGS-WNSKOXEYSA-N 1 0 379.592 2.468 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C1 ZINC000881952642 653752648 /nfs/dbraw/zinc/75/26/48/653752648.db2.gz XCFUADNQVQOPMO-WNSKOXEYSA-N 1 0 379.592 2.325 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000881961750 653753381 /nfs/dbraw/zinc/75/33/81/653753381.db2.gz GBDVJHORPBSXBO-ZDUSSCGKSA-N 1 0 387.373 2.379 20 0 GEADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cc(Br)n[nH]1 ZINC000788304880 653754131 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COc1c(F)cc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000842698241 653763436 /nfs/dbraw/zinc/76/34/36/653763436.db2.gz XPYIKEFNIKGYRS-SNVBAGLBSA-N 1 0 381.267 2.099 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1OC ZINC000842703201 653763794 /nfs/dbraw/zinc/76/37/94/653763794.db2.gz WTFHQOBEMWZBQE-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c(Cl)cc1Cl ZINC000842708980 653764108 /nfs/dbraw/zinc/76/41/08/653764108.db2.gz RVKSBNIERJLOSA-VIFPVBQESA-N 1 0 381.281 2.058 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c(C)c1Cl ZINC000842710274 653764121 /nfs/dbraw/zinc/76/41/21/653764121.db2.gz LSFDZZPSEZVRBD-NSHDSACASA-N 1 0 388.898 2.475 20 0 GEADRO CC(=O)NCC1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000865425927 653764881 /nfs/dbraw/zinc/76/48/81/653764881.db2.gz VRATXTMJFGRKMQ-UHFFFAOYSA-N 1 0 396.329 2.463 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)Nc1ccc(Br)cc1S(N)(=O)=O ZINC000865440645 653765437 /nfs/dbraw/zinc/76/54/37/653765437.db2.gz JCCOPCXFSZSEHA-LLVKDONJSA-N 1 0 376.320 2.383 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000842745530 653765792 /nfs/dbraw/zinc/76/57/92/653765792.db2.gz JWZITOKXTSGMNB-LLVKDONJSA-N 1 0 393.278 2.112 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000882147219 653766029 /nfs/dbraw/zinc/76/60/29/653766029.db2.gz KKKFOPGEFASJKL-LBPRGKRZSA-N 1 0 394.324 2.126 20 0 GEADRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000842755355 653766152 /nfs/dbraw/zinc/76/61/52/653766152.db2.gz XOAKWLZOHKJSCP-UBHSHLNASA-N 1 0 377.938 2.091 20 0 GEADRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(Cl)nc1C(=O)OC)[NH+](C)C ZINC000788921473 653766478 /nfs/dbraw/zinc/76/64/78/653766478.db2.gz WOOAZVGSAFHEQJ-LBPRGKRZSA-N 1 0 391.921 2.166 20 0 GEADRO Cn1ncc2cc(C[NH2+]C[C@H](O)COc3ccccc3Br)cnc21 ZINC000865493810 653766773 /nfs/dbraw/zinc/76/67/73/653766773.db2.gz NBALMGDHMIDCDG-AWEZNQCLSA-N 1 0 391.269 2.260 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1Cl ZINC000842781553 653767082 /nfs/dbraw/zinc/76/70/82/653767082.db2.gz HBTOHQIXVBVALD-UHFFFAOYSA-N 1 0 386.901 2.281 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC[C@H]1[NH3+] ZINC000842799699 653768168 /nfs/dbraw/zinc/76/81/68/653768168.db2.gz ZQXFQRYNKXDQQE-NXEZZACHSA-N 1 0 380.919 2.244 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CCCS(=O)(=O)C1)CC(F)(F)F ZINC000865570874 653768861 /nfs/dbraw/zinc/76/88/61/653768861.db2.gz OWJTXCFAKMINDY-NEPJUHHUSA-N 1 0 388.452 2.247 20 0 GEADRO CCn1c(CC[NH3+])nnc1Sc1ncc(C(=O)OC)cc1C(F)(F)F ZINC000865581436 653768991 /nfs/dbraw/zinc/76/89/91/653768991.db2.gz UUSGOJUWGYWXSO-UHFFFAOYSA-N 1 0 375.376 2.151 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(Cl)cc1Cl ZINC000842814189 653769223 /nfs/dbraw/zinc/76/92/23/653769223.db2.gz GKLJMBPKCNPHHB-RKDXNWHRSA-N 1 0 381.281 2.199 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(Cl)cc1Cl ZINC000842814183 653769234 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CC(C)N1CC[NH+](C2CCN(c3ccc(CO)c(Br)n3)CC2)CC1 ZINC000865647922 653771051 /nfs/dbraw/zinc/77/10/51/653771051.db2.gz NURLZQDMDZRCLB-UHFFFAOYSA-N 1 0 397.361 2.331 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000865655539 653771275 /nfs/dbraw/zinc/77/12/75/653771275.db2.gz INPAZPNQIPFUHQ-ZDUSSCGKSA-N 1 0 385.302 2.155 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@H]1CCSC1 ZINC000865654036 653771288 /nfs/dbraw/zinc/77/12/88/653771288.db2.gz FKPAGSLTAABPHT-QWHCGFSZSA-N 1 0 377.963 2.437 20 0 GEADRO O=S(=O)(c1cncc(Br)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842875752 653771554 /nfs/dbraw/zinc/77/15/54/653771554.db2.gz OKHLYTRIXRLEFK-QWHCGFSZSA-N 1 0 388.331 2.244 20 0 GEADRO COCC[C@H](C[NH2+]Cc1c(Br)cnn1C)NC(=O)OC(C)(C)C ZINC000865680628 653771765 /nfs/dbraw/zinc/77/17/65/653771765.db2.gz IMAKVURPUQGMSM-LLVKDONJSA-N 1 0 391.310 2.202 20 0 GEADRO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000865699970 653772270 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O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)COc1ccccc1Br ZINC000843094688 653779117 /nfs/dbraw/zinc/77/91/17/653779117.db2.gz LHUPGWPNTXAKTF-DOMZBBRYSA-N 1 0 385.233 2.046 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@H]1CCCCN1CCO)c1ccc(Br)cc1F ZINC000843096427 653779222 /nfs/dbraw/zinc/77/92/22/653779222.db2.gz ZVPBUJMGULNESN-RHSMWYFYSA-N 1 0 389.309 2.232 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C1 ZINC000882384282 653779230 /nfs/dbraw/zinc/77/92/30/653779230.db2.gz OYCSFLFHIGEWTD-PSLXWICFSA-N 1 0 379.592 2.372 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)Cc1cccnc1 ZINC000843112196 653779837 /nfs/dbraw/zinc/77/98/37/653779837.db2.gz XFSHGPIYXJOJOK-CXAGYDPISA-N 1 0 383.261 2.457 20 0 GEADRO O=C(NCCc1nc(CC2CC[NH2+]CC2)no1)c1ccc(Br)cc1 ZINC000843134075 653780196 /nfs/dbraw/zinc/78/01/96/653780196.db2.gz MAHZBOFVGZKXSG-UHFFFAOYSA-N 1 0 393.285 2.347 20 0 GEADRO CC(C)[C@H]([NH3+])c1noc(CCN2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843150537 653780539 /nfs/dbraw/zinc/78/05/39/653780539.db2.gz JYLSFUDGEUVRDX-ZDUSSCGKSA-N 1 0 393.241 2.327 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cnc1Cl ZINC000882432296 653781543 /nfs/dbraw/zinc/78/15/43/653781543.db2.gz QCFFHFWZPYYNHZ-TZMCWYRMSA-N 1 0 375.922 2.485 20 0 GEADRO COc1ccc(NC(=O)Cc2noc(C[C@H]3CSCC[NH2+]3)n2)cc1Cl ZINC000843214584 653781564 /nfs/dbraw/zinc/78/15/64/653781564.db2.gz GSJVKCKNEOVWAP-NSHDSACASA-N 1 0 382.873 2.160 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(COC(=O)C2C[NH+](C3CCCCC3)C2)s1 ZINC000820741272 653781740 /nfs/dbraw/zinc/78/17/40/653781740.db2.gz KDXDDSQAFAWHNO-UHFFFAOYSA-N 1 0 386.539 2.306 20 0 GEADRO Ic1cnc2c(-c3noc(C[NH2+]CC4CC4)n3)cccn12 ZINC000843224572 653781916 /nfs/dbraw/zinc/78/19/16/653781916.db2.gz PZWXNACHOIVCGJ-UHFFFAOYSA-N 1 0 395.204 2.489 20 0 GEADRO O=C(NCc1noc(CC[C@@H]2CCC[NH2+]2)n1)c1ccc(Br)cc1 ZINC000843231003 653782097 /nfs/dbraw/zinc/78/20/97/653782097.db2.gz VYUAYGNUAOPPGD-ZDUSSCGKSA-N 1 0 379.258 2.447 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843261310 653782234 /nfs/dbraw/zinc/78/22/34/653782234.db2.gz IBFJEYYBJQMLFX-UHFFFAOYSA-N 1 0 376.320 2.104 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NCCCCCC[NH3+])CC2 ZINC000843264967 653782512 /nfs/dbraw/zinc/78/25/12/653782512.db2.gz DRNWOHYYCPKANJ-UHFFFAOYSA-N 1 0 396.329 2.278 20 0 GEADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(Br)no1 ZINC000866010308 653783205 /nfs/dbraw/zinc/78/32/05/653783205.db2.gz WCNRGBLKQHYTRL-UHFFFAOYSA-N 1 0 394.269 2.194 20 0 GEADRO O=S(=O)(NCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(Cl)c1 ZINC000820809234 653784548 /nfs/dbraw/zinc/78/45/48/653784548.db2.gz WYFGYPVVABHCML-ZXFUBFMLSA-N 1 0 383.945 2.366 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(Br)ccc1Br ZINC000882491375 653784769 /nfs/dbraw/zinc/78/47/69/653784769.db2.gz GUUPKGIQAUTPFV-QMMMGPOBSA-N 1 0 377.080 2.431 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1I ZINC000866074046 653785243 /nfs/dbraw/zinc/78/52/43/653785243.db2.gz XQKRLUXFXWYJGJ-QWRGUYRKSA-N 1 0 390.269 2.281 20 0 GEADRO CSc1ccc2cc(CN(C)CC(=O)N3CC[NH2+]CC3)c(Cl)nc2c1 ZINC000843346380 653785471 /nfs/dbraw/zinc/78/54/71/653785471.db2.gz FVHFXQCBGOXNGT-UHFFFAOYSA-N 1 0 378.929 2.474 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)o1 ZINC000843379344 653785992 /nfs/dbraw/zinc/78/59/92/653785992.db2.gz ZHOIPQOAWKPVIR-MRXNPFEDSA-N 1 0 383.901 2.330 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000843407540 653786320 /nfs/dbraw/zinc/78/63/20/653786320.db2.gz HRCBLOYATXNBOG-JKSUJKDBSA-N 1 0 383.286 2.118 20 0 GEADRO Cn1cnnc1Sc1ccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000843414128 653786574 /nfs/dbraw/zinc/78/65/74/653786574.db2.gz VSTOQWUTVMHLEX-GFCCVEGCSA-N 1 0 381.889 2.327 20 0 GEADRO CCN(CCOc1ccc(Br)cc1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843444915 653787181 /nfs/dbraw/zinc/78/71/81/653787181.db2.gz JBPMZMRVYQYNNA-MRXNPFEDSA-N 1 0 385.302 2.445 20 0 GEADRO Cc1ccc(/C=C/C(=O)N2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000843452362 653787186 /nfs/dbraw/zinc/78/71/86/653787186.db2.gz BSWDPGXZKMWUEV-VOTSOKGWSA-N 1 0 380.330 2.477 20 0 GEADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843448594 653787207 /nfs/dbraw/zinc/78/72/07/653787207.db2.gz BEPPFSSNSZTUSW-XJKSGUPXSA-N 1 0 377.243 2.285 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cc1Br ZINC000843458937 653787345 /nfs/dbraw/zinc/78/73/45/653787345.db2.gz JMJDSFLMQSVCDY-UHFFFAOYSA-N 1 0 380.246 2.231 20 0 GEADRO Cc1ccc(/C=C/C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000843478307 653787978 /nfs/dbraw/zinc/78/79/78/653787978.db2.gz TWNAVMBJZWITPP-DWTRPJMMSA-N 1 0 378.314 2.277 20 0 GEADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000843493205 653788292 /nfs/dbraw/zinc/78/82/92/653788292.db2.gz USIDMLWXLQSACZ-NSHDSACASA-N 1 0 386.246 2.335 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000843502772 653788523 /nfs/dbraw/zinc/78/85/23/653788523.db2.gz FSYQPLCWDFGACL-STQMWFEESA-N 1 0 387.933 2.370 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000843503305 653788651 /nfs/dbraw/zinc/78/86/51/653788651.db2.gz KEKDAKRTDWCBLY-RKDXNWHRSA-N 1 0 394.324 2.290 20 0 GEADRO [NH3+]CCCCCCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000843509051 653788656 /nfs/dbraw/zinc/78/86/56/653788656.db2.gz DNOPEXIPWABDPX-ZDUSSCGKSA-N 1 0 382.302 2.437 20 0 GEADRO CC(C)n1ncc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1I ZINC000866271937 653789677 /nfs/dbraw/zinc/78/96/77/653789677.db2.gz RCEVPHHEFNEAIQ-LLVKDONJSA-N 1 0 390.269 2.140 20 0 GEADRO O=S(=O)(N1CCC([NH2+][C@H]2c3ccccc3OC[C@H]2F)CC1)C(F)(F)F ZINC000866281074 653789757 /nfs/dbraw/zinc/78/97/57/653789757.db2.gz IAUQUMRDUMNYER-OCCSQVGLSA-N 1 0 382.379 2.362 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@H]1CCCC1(F)F ZINC000882595105 653790253 /nfs/dbraw/zinc/79/02/53/653790253.db2.gz WEBKPDWTVFCLLM-CQSZACIVSA-N 1 0 378.489 2.165 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cncc(Br)c2)CCN1c1cc[nH+]cc1 ZINC000882621506 653791194 /nfs/dbraw/zinc/79/11/94/653791194.db2.gz UVMJPBXOXQNYDL-GFCCVEGCSA-N 1 0 397.298 2.139 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC000790595519 653793991 /nfs/dbraw/zinc/79/39/91/653793991.db2.gz VBKYVJXZMLTODO-QMMMGPOBSA-N 1 0 377.080 2.431 20 0 GEADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866425271 653794520 /nfs/dbraw/zinc/79/45/20/653794520.db2.gz LANBIYWMYIFBAD-XMMPIXPASA-N 1 0 381.523 2.240 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@H]2CCC(=O)O2)C1 ZINC000821391366 653797069 /nfs/dbraw/zinc/79/70/69/653797069.db2.gz JUXSPJKDOUVNDX-DGCLKSJQSA-N 1 0 382.258 2.200 20 0 GEADRO CCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000843991715 653798633 /nfs/dbraw/zinc/79/86/33/653798633.db2.gz LJPMRJWHPOEUPB-CQSZACIVSA-N 1 0 387.933 2.147 20 0 GEADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)C1CC1 ZINC000866491926 653798860 /nfs/dbraw/zinc/79/88/60/653798860.db2.gz HLVWGUARWBVFCE-DGXTUMSLSA-N 1 0 376.613 2.349 20 0 GEADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)C1CC1 ZINC000866491938 653798875 /nfs/dbraw/zinc/79/88/75/653798875.db2.gz HLVWGUARWBVFCE-SUJAAXHWSA-N 1 0 376.613 2.349 20 0 GEADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)C1CC1 ZINC000866491936 653798919 /nfs/dbraw/zinc/79/89/19/653798919.db2.gz HLVWGUARWBVFCE-QCODTGAPSA-N 1 0 376.613 2.349 20 0 GEADRO CC1CC[NH+](CCCCNS(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1 ZINC000866501999 653799192 /nfs/dbraw/zinc/79/91/92/653799192.db2.gz CTYZXPVDJOJTQC-UHFFFAOYSA-N 1 0 382.452 2.229 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000844042041 653800078 /nfs/dbraw/zinc/80/00/78/653800078.db2.gz UQPXGGRNEWHJSW-NSHDSACASA-N 1 0 375.416 2.491 20 0 GEADRO CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F ZINC000844056487 653800256 /nfs/dbraw/zinc/80/02/56/653800256.db2.gz LALVFKKXYFMHSO-ZDUSSCGKSA-N 1 0 383.480 2.121 20 0 GEADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1C ZINC000882735930 653801704 /nfs/dbraw/zinc/80/17/04/653801704.db2.gz YWRRINQJEOYYSJ-WDBKCZKBSA-N 1 0 380.286 2.159 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cnc1Br ZINC000790973833 653802200 /nfs/dbraw/zinc/80/22/00/653802200.db2.gz HCUOTWOCWLSDAI-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000844176939 653802888 /nfs/dbraw/zinc/80/28/88/653802888.db2.gz XCIWEYLCHIOUAC-PBHICJAKSA-N 1 0 396.329 2.160 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000866577168 653803052 /nfs/dbraw/zinc/80/30/52/653803052.db2.gz FLBMBGSWZNVFIF-DEOSSOPVSA-N 1 0 390.527 2.293 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1ccc(Cl)nc1Cl ZINC000844226506 653803505 /nfs/dbraw/zinc/80/35/05/653803505.db2.gz KCXYGIWMCXZWKP-UHFFFAOYSA-N 1 0 375.281 2.242 20 0 GEADRO CC(C)n1ncc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1Br ZINC000866608415 653806160 /nfs/dbraw/zinc/80/61/60/653806160.db2.gz HCTWQUBABVYCOO-ZDUSSCGKSA-N 1 0 385.306 2.210 20 0 GEADRO Cn1ncc(I)c1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000866629177 653806867 /nfs/dbraw/zinc/80/68/67/653806867.db2.gz CSVBDTYBKHRSCP-UHFFFAOYSA-N 1 0 376.286 2.377 20 0 GEADRO COc1cccc2c1OC[C@@H]([NH2+]Cc1c(I)cnn1C)C2 ZINC000866631788 653807159 /nfs/dbraw/zinc/80/71/59/653807159.db2.gz QRZUJUOPHHCPMD-NSHDSACASA-N 1 0 399.232 2.127 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cn(C)nc1Br ZINC000882798008 653808985 /nfs/dbraw/zinc/80/89/85/653808985.db2.gz MHMABWUCQPHCFW-UHFFFAOYSA-N 1 0 393.351 2.069 20 0 GEADRO COc1cc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(Br)cn1 ZINC000882813211 653810527 /nfs/dbraw/zinc/81/05/27/653810527.db2.gz IEKBVSSYSROMAZ-UHFFFAOYSA-N 1 0 397.317 2.163 20 0 GEADRO C[NH+](C)CCCOC1CCN(C(=O)Cc2cccnc2Br)CC1 ZINC000791381370 653811768 /nfs/dbraw/zinc/81/17/68/653811768.db2.gz UWLDAWDPTOEFGY-UHFFFAOYSA-N 1 0 384.318 2.346 20 0 GEADRO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)ONC(=O)OC(C)(C)C ZINC000895030815 653813514 /nfs/dbraw/zinc/81/35/14/653813514.db2.gz OLDFGZBSNSPRQU-ILXRZTDVSA-N 1 0 378.535 2.413 20 0 GEADRO C[C@@H](c1cccc(Br)c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711166 653813773 /nfs/dbraw/zinc/81/37/73/653813773.db2.gz DFQKZUUTYKRPFO-KSYCFECVSA-N 1 0 380.286 2.377 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866721575 653815322 /nfs/dbraw/zinc/81/53/22/653815322.db2.gz WWQFHSMCGHZBFB-CABCVRRESA-N 1 0 399.276 2.364 20 0 GEADRO O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1ccccc1I ZINC000866720007 653815332 /nfs/dbraw/zinc/81/53/32/653815332.db2.gz GOSULQINWHLFOH-KGLIPLIRSA-N 1 0 385.249 2.056 20 0 GEADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)Cc1ncsc1Br ZINC000866742851 653818147 /nfs/dbraw/zinc/81/81/47/653818147.db2.gz FNEUNLAZZQHRCC-PBINXNQUSA-N 1 0 380.333 2.080 20 0 GEADRO C[C@@]1(C(=O)NCCCC[NH+]2CCOCC2)CC1(Br)Br ZINC000822243951 653820585 /nfs/dbraw/zinc/82/05/85/653820585.db2.gz FPSGYORLVKBFST-LBPRGKRZSA-N 1 0 398.139 2.111 20 0 GEADRO Cn1ncc(S(=O)(=O)N[C@H](CCC[NH3+])c2ccccc2)c1C(F)(F)F ZINC000866769454 653822145 /nfs/dbraw/zinc/82/21/45/653822145.db2.gz LCGNGSGZKFNCCC-GFCCVEGCSA-N 1 0 376.404 2.197 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000866768442 653822198 /nfs/dbraw/zinc/82/21/98/653822198.db2.gz UHHLGWNRCOMREG-NSHDSACASA-N 1 0 377.304 2.019 20 0 GEADRO C[C@H](C[NH2+]Cc1cn(C)nc1I)C(=O)OC(C)(C)C ZINC000895189027 653822272 /nfs/dbraw/zinc/82/22/72/653822272.db2.gz REULKLKUYMOKLX-SECBINFHSA-N 1 0 379.242 2.092 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000866770244 653822399 /nfs/dbraw/zinc/82/23/99/653822399.db2.gz WNQHSDCLTVEFRF-MNOVXSKESA-N 1 0 377.304 2.005 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000866778722 653824437 /nfs/dbraw/zinc/82/44/37/653824437.db2.gz BYIJJCMSWQNWDY-CQSZACIVSA-N 1 0 389.315 2.162 20 0 GEADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1oc2ccccc2c1Br ZINC000866778877 653824517 /nfs/dbraw/zinc/82/45/17/653824517.db2.gz DWCHLDOSZOYIHL-UHFFFAOYSA-N 1 0 391.287 2.052 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000866781491 653825142 /nfs/dbraw/zinc/82/51/42/653825142.db2.gz PDIWJECRSQKRJQ-WDEREUQCSA-N 1 0 377.304 2.018 20 0 GEADRO Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000895314589 653827165 /nfs/dbraw/zinc/82/71/65/653827165.db2.gz YNUCRLPLVBIQLD-RUZDIDTESA-N 1 0 384.424 2.168 20 0 GEADRO C[C@]1(Br)C[C@@H]1C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000895320483 653827567 /nfs/dbraw/zinc/82/75/67/653827567.db2.gz XJPQFESOQDCUKR-BSXFFOKHSA-N 1 0 377.282 2.277 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000895332255 653827791 /nfs/dbraw/zinc/82/77/91/653827791.db2.gz UJDYSSJYXMUDGI-IRXDYDNUSA-N 1 0 380.286 2.261 20 0 GEADRO COc1cc(Br)c(Cc2noc([C@H](N)CC[NH+](C)C)n2)cc1OC ZINC000844913642 653829109 /nfs/dbraw/zinc/82/91/09/653829109.db2.gz BPEWTUZEZOTKBA-GFCCVEGCSA-N 1 0 399.289 2.392 20 0 GEADRO CCn1ncc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1Br ZINC000822517133 653830513 /nfs/dbraw/zinc/83/05/13/653830513.db2.gz SFCXFZMXEZFRRZ-UHFFFAOYSA-N 1 0 381.278 2.381 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000844963648 653830646 /nfs/dbraw/zinc/83/06/46/653830646.db2.gz KPDXLNVARKFOQP-ZDUSSCGKSA-N 1 0 393.359 2.202 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc(Br)cnc1Cl)C1CC[NH2+]CC1 ZINC000866811973 653830938 /nfs/dbraw/zinc/83/09/38/653830938.db2.gz UTRWNDMMEYDPSV-MRVPVSSYSA-N 1 0 382.711 2.164 20 0 GEADRO COC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000883174423 653831384 /nfs/dbraw/zinc/83/13/84/653831384.db2.gz KJZOZYQOIUMYFO-ZBFHGGJFSA-N 1 0 385.302 2.210 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cccnc2OCC(F)F)C1 ZINC000866814158 653831553 /nfs/dbraw/zinc/83/15/53/653831553.db2.gz MEZWFZNJPXHQEC-MRXNPFEDSA-N 1 0 377.457 2.111 20 0 GEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984669 653831655 /nfs/dbraw/zinc/83/16/55/653831655.db2.gz NMIFLWCXOUAQDR-ZIAGYGMSSA-N 1 0 377.360 2.428 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000866815614 653831626 /nfs/dbraw/zinc/83/16/26/653831626.db2.gz REUGUKHDDMTOGC-CQSZACIVSA-N 1 0 376.320 2.230 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000822584585 653832749 /nfs/dbraw/zinc/83/27/49/653832749.db2.gz JIDJOOPDNWNGIS-NSHDSACASA-N 1 0 385.306 2.390 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866821840 653832750 /nfs/dbraw/zinc/83/27/50/653832750.db2.gz BBTSNCDRHPMEFC-UONOGXRCSA-N 1 0 389.315 2.114 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866822763 653833032 /nfs/dbraw/zinc/83/30/32/653833032.db2.gz IANRKHLRJMNCCB-NWDGAFQWSA-N 1 0 393.278 2.112 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866822500 653833106 /nfs/dbraw/zinc/83/31/06/653833106.db2.gz BNBHTJPMNUEJOJ-VXGBXAGGSA-N 1 0 393.278 2.112 20 0 GEADRO COc1ccc(Br)cc1CN(C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895444514 653835025 /nfs/dbraw/zinc/83/50/25/653835025.db2.gz NEYJRVOLKJQMOO-HNNXBMFYSA-N 1 0 383.286 2.137 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H]2c3ccccc3CN2C)c(I)n1 ZINC000895458553 653836168 /nfs/dbraw/zinc/83/61/68/653836168.db2.gz PTCJSVQMPIAKLS-CQSZACIVSA-N 1 0 382.249 2.301 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)c3nc(Br)ccc3F)CC2)CC1 ZINC000792160157 653836271 /nfs/dbraw/zinc/83/62/71/653836271.db2.gz URGKQTLNDNVMKR-UHFFFAOYSA-N 1 0 399.308 2.083 20 0 GEADRO Cn1cc(C[NH2+]CCc2cn(C)c3ncccc23)c(I)n1 ZINC000895461893 653836583 /nfs/dbraw/zinc/83/65/83/653836583.db2.gz QFFRSROJFHCRNC-UHFFFAOYSA-N 1 0 395.248 2.244 20 0 GEADRO CCN1CC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000883358504 653836981 /nfs/dbraw/zinc/83/69/81/653836981.db2.gz MOVVVTIGVNELHU-SWLSCSKDSA-N 1 0 384.318 2.146 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)s1 ZINC000822720818 653837840 /nfs/dbraw/zinc/83/78/40/653837840.db2.gz KZCDJYVFNMGCMK-UHFFFAOYSA-N 1 0 380.905 2.262 20 0 GEADRO C[N@H+](CCCNC(=O)c1c[nH]nc1I)Cc1ccccc1 ZINC000895490846 653837896 /nfs/dbraw/zinc/83/78/96/653837896.db2.gz UBSQZOWYOBVTLY-UHFFFAOYSA-N 1 0 398.248 2.266 20 0 GEADRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(Br)nn3C)C2)cc1 ZINC000895497210 653838330 /nfs/dbraw/zinc/83/83/30/653838330.db2.gz YJPOADVRHOBCOW-CQSZACIVSA-N 1 0 379.258 2.474 20 0 GEADRO CCc1[nH]nc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1Br ZINC000792260765 653838855 /nfs/dbraw/zinc/83/88/55/653838855.db2.gz HRWDXTIYBFNVHW-UHFFFAOYSA-N 1 0 387.322 2.308 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000866862172 653839881 /nfs/dbraw/zinc/83/98/81/653839881.db2.gz CJMTYAULBSUICJ-MRVWCRGKSA-N 1 0 398.301 2.182 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2cscc2Br)C1 ZINC000883436436 653839927 /nfs/dbraw/zinc/83/99/27/653839927.db2.gz SQNRXXHSINNQFB-LBPRGKRZSA-N 1 0 376.320 2.373 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000792340905 653840358 /nfs/dbraw/zinc/84/03/58/653840358.db2.gz MEAIDGRDMDIEKJ-UHFFFAOYSA-N 1 0 379.404 2.308 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)/C=C3/SCC(=O)N3C)C2)s1 ZINC000822794000 653840873 /nfs/dbraw/zinc/84/08/73/653840873.db2.gz HHVXTLGQWZTKRM-PVJNQWLSSA-N 1 0 379.551 2.383 20 0 GEADRO C[C@H]1CN(Cc2cn(C)nc2I)CCN1c1cc[nH+]cc1 ZINC000895557609 653840967 /nfs/dbraw/zinc/84/09/67/653840967.db2.gz PBSUWBFNLVLVTJ-LBPRGKRZSA-N 1 0 397.264 2.130 20 0 GEADRO COc1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c2cccnc12 ZINC000883470387 653841008 /nfs/dbraw/zinc/84/10/08/653841008.db2.gz UFNNQTKZODIYQE-UHFFFAOYSA-N 1 0 377.388 2.145 20 0 GEADRO O=C(Nc1nncs1)c1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)nc1 ZINC000895567468 653841013 /nfs/dbraw/zinc/84/10/13/653841013.db2.gz PZGFKMVQYNVWGJ-OLZOCXBDSA-N 1 0 376.511 2.177 20 0 GEADRO Nc1nc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)nc(C(F)(F)C(F)(F)F)n1 ZINC000895565737 653841040 /nfs/dbraw/zinc/84/10/40/653841040.db2.gz XFNNIPDIUWHDPS-YUMQZZPRSA-N 1 0 384.378 2.100 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000883473692 653841550 /nfs/dbraw/zinc/84/15/50/653841550.db2.gz JCZINFBCIMNXKG-LLVKDONJSA-N 1 0 378.853 2.028 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2 ZINC000883481363 653842584 /nfs/dbraw/zinc/84/25/84/653842584.db2.gz ILIHBDIRRSAEHX-UHFFFAOYSA-N 1 0 393.412 2.247 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895602600 653843079 /nfs/dbraw/zinc/84/30/79/653843079.db2.gz KKEBEKZPPKNTJF-SJORKVTESA-N 1 0 396.329 2.498 20 0 GEADRO C[C@@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000895677994 653845419 /nfs/dbraw/zinc/84/54/19/653845419.db2.gz QSLYTXQNVJHOBH-CABZTGNLSA-N 1 0 375.359 2.342 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CCCC[C@@H]2C[NH2+]C)c1Br ZINC000883564035 653845850 /nfs/dbraw/zinc/84/58/50/653845850.db2.gz GJUAWEDLHSZSFQ-LLVKDONJSA-N 1 0 383.290 2.415 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883592898 653846411 /nfs/dbraw/zinc/84/64/11/653846411.db2.gz WULGGEUKEZLNCT-VHSXEESVSA-N 1 0 397.273 2.371 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593783 653847028 /nfs/dbraw/zinc/84/70/28/653847028.db2.gz REKPJFJJGFRWHA-LBPRGKRZSA-N 1 0 397.273 2.242 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593804 653847079 /nfs/dbraw/zinc/84/70/79/653847079.db2.gz RNIAEFLVVVZCJC-GFCCVEGCSA-N 1 0 397.273 2.290 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000883620294 653848081 /nfs/dbraw/zinc/84/80/81/653848081.db2.gz DFPFRNBYXZIUDG-UHFFFAOYSA-N 1 0 379.258 2.179 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)C2 ZINC000883622126 653848124 /nfs/dbraw/zinc/84/81/24/653848124.db2.gz IBUVDXXGVIKUFU-UHFFFAOYSA-N 1 0 385.276 2.432 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000895730353 653848143 /nfs/dbraw/zinc/84/81/43/653848143.db2.gz QXFZOFQSQBKTRZ-ZJUUUORDSA-N 1 0 390.269 2.173 20 0 GEADRO Cn1cc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c(Br)n1 ZINC000895764199 653849257 /nfs/dbraw/zinc/84/92/57/653849257.db2.gz PZYJTAVHOWQRSG-UHFFFAOYSA-N 1 0 381.274 2.053 20 0 GEADRO CC(C)[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000822991575 653849414 /nfs/dbraw/zinc/84/94/14/653849414.db2.gz QHADDZALRGSRBB-SWLSCSKDSA-N 1 0 388.343 2.381 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000883645261 653849457 /nfs/dbraw/zinc/84/94/57/653849457.db2.gz GDIMNOMVDBOANI-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000895772431 653849711 /nfs/dbraw/zinc/84/97/11/653849711.db2.gz QRSFRFIVGNXJOY-JKSUJKDBSA-N 1 0 379.298 2.191 20 0 GEADRO COC[C@]1(c2nc(-c3csc(I)c3)no2)CC[NH2+]C1 ZINC000823015504 653850425 /nfs/dbraw/zinc/85/04/25/653850425.db2.gz GSEGWYXIUAPHOM-LBPRGKRZSA-N 1 0 391.234 2.280 20 0 GEADRO C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1(Br)Br ZINC000823034223 653851090 /nfs/dbraw/zinc/85/10/90/653851090.db2.gz MQQBBTBCNPVTGB-SKDRFNHKSA-N 1 0 380.124 2.483 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2I)C1 ZINC000895835060 653852011 /nfs/dbraw/zinc/85/20/11/653852011.db2.gz XSFKFAKCYASTBJ-SNVBAGLBSA-N 1 0 390.269 2.067 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2c[nH]nc2I)CC1 ZINC000895843822 653852410 /nfs/dbraw/zinc/85/24/10/653852410.db2.gz CZAPSHCJXAMGJJ-UHFFFAOYSA-N 1 0 390.269 2.207 20 0 GEADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1Br ZINC000895846754 653852417 /nfs/dbraw/zinc/85/24/17/653852417.db2.gz XKKBVFKKBHRYFM-GXTWGEPZSA-N 1 0 389.315 2.097 20 0 GEADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)C1C[NH+](C2CCOCC2)C1 ZINC000895855133 653852779 /nfs/dbraw/zinc/85/27/79/653852779.db2.gz NTLNRDPDIJPADD-MRXNPFEDSA-N 1 0 395.297 2.500 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000895853152 653852911 /nfs/dbraw/zinc/85/29/11/653852911.db2.gz DLVBZPSETXUJPQ-UWVGGRQHSA-N 1 0 390.269 2.173 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000823115837 653854118 /nfs/dbraw/zinc/85/41/18/653854118.db2.gz NMGKDOHRYFCUAA-WCBMZHEXSA-N 1 0 395.204 2.454 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000823133673 653855132 /nfs/dbraw/zinc/85/51/32/653855132.db2.gz PCNMAIXLQNAHLX-TZMCWYRMSA-N 1 0 380.286 2.428 20 0 GEADRO O=C(NCc1ncc(Br)cn1)NCC1CC[NH+](CC2CC2)CC1 ZINC000895900783 653856016 /nfs/dbraw/zinc/85/60/16/653856016.db2.gz NNVNMQYTEHQPCN-UHFFFAOYSA-N 1 0 382.306 2.160 20 0 GEADRO Ic1ccc(OCc2noc(C[C@H]3CC[NH2+]C3)n2)cc1 ZINC000823167270 653856132 /nfs/dbraw/zinc/85/61/32/653856132.db2.gz CVFVUERATICSOP-SNVBAGLBSA-N 1 0 385.205 2.405 20 0 GEADRO Ic1ccc(OCc2noc(C[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000823167193 653856175 /nfs/dbraw/zinc/85/61/75/653856175.db2.gz CVFVUERATICSOP-JTQLQIEISA-N 1 0 385.205 2.405 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)nc1Br ZINC000792946428 653856510 /nfs/dbraw/zinc/85/65/10/653856510.db2.gz IZTKYJYSRRVUOK-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)nc1Br ZINC000792948974 653856524 /nfs/dbraw/zinc/85/65/24/653856524.db2.gz NKASMZJJILCVGJ-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1ccccc1 ZINC000792948190 653856566 /nfs/dbraw/zinc/85/65/66/653856566.db2.gz KEHMXUPNONTPDZ-CYBMUJFWSA-N 1 0 391.269 2.202 20 0 GEADRO [NH3+]CCCn1cc(-c2nc(Cc3cc(F)cc(Br)c3)no2)nn1 ZINC000823189629 653856703 /nfs/dbraw/zinc/85/67/03/653856703.db2.gz KOZIHPUVFLHTGQ-UHFFFAOYSA-N 1 0 381.209 2.169 20 0 GEADRO [NH3+]CCCn1cc(-c2nc(Cc3c(F)ccc(Br)c3F)no2)nn1 ZINC000823184469 653856737 /nfs/dbraw/zinc/85/67/37/653856737.db2.gz FUAVPGGKUXGEAO-UHFFFAOYSA-N 1 0 399.199 2.308 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000792980246 653858794 /nfs/dbraw/zinc/85/87/94/653858794.db2.gz MUMJJIDPZXSRRO-RYUDHWBXSA-N 1 0 383.290 2.162 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000895971733 653859389 /nfs/dbraw/zinc/85/93/89/653859389.db2.gz MUDPQEMSUAGVHA-WBMJQRKESA-N 1 0 395.297 2.379 20 0 GEADRO COc1cc(CN[C@H]2CS(=O)(=O)C2(C)C)cc(OC)c1OCC(F)F ZINC000895984034 653859784 /nfs/dbraw/zinc/85/97/84/653859784.db2.gz ZAAIRTJFWYIILW-ZDUSSCGKSA-N 1 0 379.425 2.013 20 0 GEADRO Cc1cc(CN2CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)CC2)on1 ZINC000884006239 653859875 /nfs/dbraw/zinc/85/98/75/653859875.db2.gz KSOJYWQYYXAKLT-INIZCTEOSA-N 1 0 393.285 2.090 20 0 GEADRO Cc1cc([C@@H]([NH3+])Cc2nc(C3(S(C)(=O)=O)CCCC3)no2)cc(Cl)n1 ZINC000823259777 653859943 /nfs/dbraw/zinc/85/99/43/653859943.db2.gz QQHNJPDHBCHMBM-LBPRGKRZSA-N 1 0 384.889 2.483 20 0 GEADRO CN(C)c1ccc(-c2noc(-c3cn(CCC[NH3+])nn3)n2)cc1Br ZINC000823259407 653859962 /nfs/dbraw/zinc/85/99/62/653859962.db2.gz MAXBGOHHWMUUAY-UHFFFAOYSA-N 1 0 392.261 2.172 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000845734700 653861372 /nfs/dbraw/zinc/86/13/72/653861372.db2.gz IIZSIUVDAQZRFE-KGLIPLIRSA-N 1 0 386.539 2.317 20 0 GEADRO Cc1csc(-c2nc(N3CC[NH2+]CC3)no2)c1I ZINC000823303990 653861906 /nfs/dbraw/zinc/86/19/06/653861906.db2.gz BDPQUSJUHQQENI-UHFFFAOYSA-N 1 0 376.223 2.121 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000866995331 653862176 /nfs/dbraw/zinc/86/21/76/653862176.db2.gz CFXIEVAJNZXGMP-DJIMGWMZSA-N 1 0 390.908 2.492 20 0 GEADRO C[NH+](C)CC1CCC(NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000866995494 653862251 /nfs/dbraw/zinc/86/22/51/653862251.db2.gz HEBPVWSVNSXHTB-FSEJBOMISA-N 1 0 391.534 2.237 20 0 GEADRO O=C(c1ccc(Cl)s1)N1CCC(c2nc(N3CC[NH2+]CC3)no2)CC1 ZINC000823315108 653862269 /nfs/dbraw/zinc/86/22/69/653862269.db2.gz KDUAJHHVZZTMRG-UHFFFAOYSA-N 1 0 381.889 2.214 20 0 GEADRO Clc1cc(I)ccc1-c1nc(N2CC[NH2+]CC2)no1 ZINC000823314496 653862296 /nfs/dbraw/zinc/86/22/96/653862296.db2.gz DWZSDRMEWSPMIF-UHFFFAOYSA-N 1 0 390.612 2.404 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000866996081 653862543 /nfs/dbraw/zinc/86/25/43/653862543.db2.gz OXCLDLMLTCAVFV-YIYPIFLZSA-N 1 0 385.357 2.084 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccc(Br)cc1 ZINC000884082532 653862784 /nfs/dbraw/zinc/86/27/84/653862784.db2.gz LAOCFAZOBOZZGZ-GDBMZVCRSA-N 1 0 394.313 2.214 20 0 GEADRO Cc1c(-c2nc(N3CC[NH2+]CC3)no2)cnn1-c1ccc(Br)cc1 ZINC000823320848 653862965 /nfs/dbraw/zinc/86/29/65/653862965.db2.gz KNCLPUKEQVQRRW-UHFFFAOYSA-N 1 0 389.257 2.403 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nc1Br ZINC000793045843 653864033 /nfs/dbraw/zinc/86/40/33/653864033.db2.gz DLIPYRFCXOSYKB-VXGBXAGGSA-N 1 0 383.290 2.032 20 0 GEADRO CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884115064 653864660 /nfs/dbraw/zinc/86/46/60/653864660.db2.gz IONSUYTVQOGPBT-DZGCQCFKSA-N 1 0 382.302 2.214 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)nc1Br ZINC000793054577 653864823 /nfs/dbraw/zinc/86/48/23/653864823.db2.gz LEBKIYNWGRLXBL-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000845843863 653865437 /nfs/dbraw/zinc/86/54/37/653865437.db2.gz ZYLZDHZQRBRYMZ-QWRGUYRKSA-N 1 0 385.338 2.338 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)N=[S@@](C)(=O)c3ccccc3)C2)CC1 ZINC000867012489 653865487 /nfs/dbraw/zinc/86/54/87/653865487.db2.gz MLVUWYWXGGMXBX-FYSMJZIKSA-N 1 0 385.555 2.052 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)c1ccc(Br)cc1 ZINC000884136909 653865712 /nfs/dbraw/zinc/86/57/12/653865712.db2.gz YNOBMZJRGVZUCG-ZBFHGGJFSA-N 1 0 394.313 2.310 20 0 GEADRO COCC[C@@H]([NH3+])C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000884151731 653865923 /nfs/dbraw/zinc/86/59/23/653865923.db2.gz SPIJNSQTQNYKHV-OAHLLOKOSA-N 1 0 381.274 2.191 20 0 GEADRO [NH3+][C@H](C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1 ZINC000884162485 653866304 /nfs/dbraw/zinc/86/63/04/653866304.db2.gz GMGQOCKPQDELBZ-HOTGVXAUSA-N 1 0 394.313 2.356 20 0 GEADRO Cc1cc(CN2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)no1 ZINC000884180364 653866644 /nfs/dbraw/zinc/86/66/44/653866644.db2.gz WCTMFNJORWJHQA-MRXNPFEDSA-N 1 0 393.285 2.090 20 0 GEADRO [NH3+][C@@H](CC1CC1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000884193694 653867492 /nfs/dbraw/zinc/86/74/92/653867492.db2.gz MYLPBPNNVCFXEE-AWEZNQCLSA-N 1 0 395.301 2.149 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884192859 653867519 /nfs/dbraw/zinc/86/75/19/653867519.db2.gz PVXGMEIOSJAYJO-MFKMUULPSA-N 1 0 394.235 2.449 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(Br)cc2=O)[C@H]1c1ccccc1 ZINC000867029347 653868826 /nfs/dbraw/zinc/86/88/26/653868826.db2.gz BKRMRLFYVOEPJL-MAUKXSAKSA-N 1 0 390.281 2.172 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)ccn1 ZINC000867029397 653868875 /nfs/dbraw/zinc/86/88/75/653868875.db2.gz NKVWRZJTAWRCSZ-CQSZACIVSA-N 1 0 396.340 2.025 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc2c(cncc2Cl)s1 ZINC000884273310 653869954 /nfs/dbraw/zinc/86/99/54/653869954.db2.gz NCHZJEKALYBYGY-LLVKDONJSA-N 1 0 380.901 2.409 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884270424 653869999 /nfs/dbraw/zinc/86/99/99/653869999.db2.gz MBLMQIUSMMKAQP-ONGXEEELSA-N 1 0 398.692 2.411 20 0 GEADRO [NH3+]CCN(CCc1ccccc1)C(=O)c1nn2c(c1Br)CCC2 ZINC000884283318 653870262 /nfs/dbraw/zinc/87/02/62/653870262.db2.gz FSMGWSXLKDOJHF-UHFFFAOYSA-N 1 0 377.286 2.235 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884289664 653871037 /nfs/dbraw/zinc/87/10/37/653871037.db2.gz GWBOEBRJPAWBOW-MKBNYLNASA-N 1 0 395.297 2.412 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(OC(F)F)c(Br)c1 ZINC000884302064 653871363 /nfs/dbraw/zinc/87/13/63/653871363.db2.gz JTEDEHNMYYDYLI-JTQLQIEISA-N 1 0 379.201 2.159 20 0 GEADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@H]2C[C@@]2(C)Br)cc1 ZINC000896276132 653871998 /nfs/dbraw/zinc/87/19/98/653871998.db2.gz LNWKIKGLWYPOIC-HUUCEWRRSA-N 1 0 375.332 2.341 20 0 GEADRO COC(=O)N1CCC([C@@H](C)NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884318611 653872048 /nfs/dbraw/zinc/87/20/48/653872048.db2.gz ASNOHWMPTHWRIX-IAQYHMDHSA-N 1 0 398.301 2.432 20 0 GEADRO [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)N1CCn2c(Br)cnc2C1 ZINC000884325715 653872325 /nfs/dbraw/zinc/87/23/25/653872325.db2.gz YSVUEMAHUUIYBP-ZDUSSCGKSA-N 1 0 389.253 2.304 20 0 GEADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000823576114 653872523 /nfs/dbraw/zinc/87/25/23/653872523.db2.gz BWXMOJPIMKHZQO-MRXNPFEDSA-N 1 0 399.329 2.299 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCOCC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000884332305 653872708 /nfs/dbraw/zinc/87/27/08/653872708.db2.gz JKZFVGRBPCLLMY-OAHLLOKOSA-N 1 0 383.286 2.105 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000884335128 653873028 /nfs/dbraw/zinc/87/30/28/653873028.db2.gz LFQQIUZVIMWFCX-LBPRGKRZSA-N 1 0 379.258 2.361 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000867064154 653873530 /nfs/dbraw/zinc/87/35/30/653873530.db2.gz HNLXMGMVYZUEHC-YEBMWUKDSA-N 1 0 391.534 2.189 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000884349194 653873849 /nfs/dbraw/zinc/87/38/49/653873849.db2.gz PTTXZOCOJAGCTB-CABCVRRESA-N 1 0 387.933 2.225 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2nn3c(c2Br)CCC3)C1 ZINC000884388252 653875070 /nfs/dbraw/zinc/87/50/70/653875070.db2.gz QKLXMUVCGXINOS-BZPMIXESSA-N 1 0 397.317 2.093 20 0 GEADRO C[C@@H](NS(=O)(=O)c1nc[nH]c1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000867077407 653875789 /nfs/dbraw/zinc/87/57/89/653875789.db2.gz QJRUIRJHFRCFIF-MNOVXSKESA-N 1 0 391.335 2.104 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000823719180 653877575 /nfs/dbraw/zinc/87/75/75/653877575.db2.gz SCMULFGHXFOBSY-CYBMUJFWSA-N 1 0 383.290 2.215 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCC[N@@H+](C)CC(C)C ZINC000845995490 653878892 /nfs/dbraw/zinc/87/88/92/653878892.db2.gz CVYNOIVFICOJJU-HNNXBMFYSA-N 1 0 390.981 2.272 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCSc3ccc(Cl)cc31)C2 ZINC000884523047 653879708 /nfs/dbraw/zinc/87/97/08/653879708.db2.gz OODRPLKDRYKACH-KQYVJACZSA-N 1 0 379.913 2.061 20 0 GEADRO Brc1cnc2c(C[NH2+][C@H]3CCCN4CCSC[C@@H]34)cnn2c1 ZINC000896429973 653879646 /nfs/dbraw/zinc/87/96/46/653879646.db2.gz UYAVRLZJUKRIBV-KBPBESRZSA-N 1 0 382.331 2.161 20 0 GEADRO CN(C(=O)C(=O)NCc1sccc1Br)C1(C[NH3+])CCCCC1 ZINC000884544556 653880394 /nfs/dbraw/zinc/88/03/94/653880394.db2.gz JTHIQPNXIYIXOO-UHFFFAOYSA-N 1 0 388.331 2.247 20 0 GEADRO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@H]1C[N@H+](C)CCN1C ZINC000896529264 653882320 /nfs/dbraw/zinc/88/23/20/653882320.db2.gz XSPBNFSHATZILR-XKLXXKPTSA-N 1 0 392.341 2.085 20 0 GEADRO C[C@H](NC(=O)c1cc2c(cncc2Br)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896534300 653883057 /nfs/dbraw/zinc/88/30/57/653883057.db2.gz LRKLEIQAIQPIHR-GWCFXTLKSA-N 1 0 397.342 2.423 20 0 GEADRO CC1(C)CC[C@@H](CNC(=O)C(=O)NCc2cc(Br)cs2)[NH2+]C1 ZINC000884653047 653883127 /nfs/dbraw/zinc/88/31/27/653883127.db2.gz OTRPMFMPFZTRLO-NSHDSACASA-N 1 0 388.331 2.021 20 0 GEADRO C[C@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896539760 653883661 /nfs/dbraw/zinc/88/36/61/653883661.db2.gz BPGSDIUHZSEERV-BLLLJJGKSA-N 1 0 398.320 2.370 20 0 GEADRO Cc1ccc(Br)c2cc(C(=O)N3CC(N4CC[C@@H](O)C4)C3)[nH]c21 ZINC000824014786 653883737 /nfs/dbraw/zinc/88/37/37/653883737.db2.gz SQAFPHMRHWSZOW-GFCCVEGCSA-N 1 0 378.270 2.130 20 0 GEADRO O=C(NCc1ccc2ccc(Br)cc2c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884674277 653883938 /nfs/dbraw/zinc/88/39/38/653883938.db2.gz RJEHLYDVENBEDA-MRXNPFEDSA-N 1 0 390.281 2.087 20 0 GEADRO C[C@H](NC(=O)c1cc(Br)c(F)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896541859 653883924 /nfs/dbraw/zinc/88/39/24/653883924.db2.gz IPGAEIORPLOPAF-XPTSAGLGSA-N 1 0 376.245 2.091 20 0 GEADRO C[C@@H](NC(=O)CSc1cccc(Br)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896549369 653884666 /nfs/dbraw/zinc/88/46/66/653884666.db2.gz NSDFWOPJZUFXJT-DOMZBBRYSA-N 1 0 386.359 2.292 20 0 GEADRO C[C@@H](NC(=O)Cc1cc(Cl)ccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896557530 653885560 /nfs/dbraw/zinc/88/55/60/653885560.db2.gz VDAZOERFICYGOY-IAQYHMDHSA-N 1 0 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/nfs/dbraw/zinc/93/73/42/653937342.db2.gz WIPDPSDSZDTBDJ-GXTWGEPZSA-N 1 0 395.301 2.224 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CCC[Si](C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000847611510 653937549 /nfs/dbraw/zinc/93/75/49/653937549.db2.gz HYRXLTJSZBERNG-INIZCTEOSA-N 1 0 376.639 2.462 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000897880705 653941426 /nfs/dbraw/zinc/94/14/26/653941426.db2.gz MGYUKLXFZQZSEZ-LBPRGKRZSA-N 1 0 379.448 2.062 20 0 GEADRO C[N@@H+]1CC[C@H](CCOC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000847824058 653946388 /nfs/dbraw/zinc/94/63/88/653946388.db2.gz KYUKPVNRQIOBJR-GFCCVEGCSA-N 1 0 397.269 2.060 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC[C@@H]2CC[N@@H+](C)C2)s1 ZINC000847823219 653946441 /nfs/dbraw/zinc/94/64/41/653946441.db2.gz DLXMPLDOYDGSBV-LSDHHAIUSA-N 1 0 386.539 2.095 20 0 GEADRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897979016 653947959 /nfs/dbraw/zinc/94/79/59/653947959.db2.gz WGPORRWDUSXVKJ-LBPRGKRZSA-N 1 0 399.289 2.212 20 0 GEADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(Cl)nc1F ZINC000867537785 653948208 /nfs/dbraw/zinc/94/82/08/653948208.db2.gz QWXZNTNHOZIKIP-LBPRGKRZSA-N 1 0 391.896 2.138 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2Cl)CCO1 ZINC000867537443 653948213 /nfs/dbraw/zinc/94/82/13/653948213.db2.gz JNWVXXYGIDIDFV-OAHLLOKOSA-N 1 0 378.897 2.352 20 0 GEADRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)[C@@H]1C ZINC000897979193 653948260 /nfs/dbraw/zinc/94/82/60/653948260.db2.gz XPTGMBPASZMABT-XXSPCDMZSA-N 1 0 396.285 2.275 20 0 GEADRO C[NH+](C)CCN(C(=O)C[C@H]1C(=O)Nc2c1cccc2Br)C1CC1 ZINC000898017493 653949703 /nfs/dbraw/zinc/94/97/03/653949703.db2.gz OEZUGMPDZJZHNP-CYBMUJFWSA-N 1 0 380.286 2.428 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cnc(F)c(Br)c2)CC1 ZINC000848021821 653955206 /nfs/dbraw/zinc/95/52/06/653955206.db2.gz HPUUPVCIXACACQ-UHFFFAOYSA-N 1 0 395.232 2.349 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)N2CCC(O)(c3scnc3Br)CC2)C1 ZINC000848024641 653955482 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O=C(NCc1ccc(Br)cn1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000826826690 653962225 /nfs/dbraw/zinc/96/22/25/653962225.db2.gz BSKQPTCIIBWGCK-GOSISDBHSA-N 1 0 390.281 2.097 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)NCCc1sccc1Br ZINC000898314650 653962332 /nfs/dbraw/zinc/96/23/32/653962332.db2.gz DPUHOODPJAQAFE-UHFFFAOYSA-N 1 0 390.347 2.017 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cnn2cccc(Br)c12 ZINC000885895253 653962611 /nfs/dbraw/zinc/96/26/11/653962611.db2.gz CSIIOUIRUFUNBN-ZDUSSCGKSA-N 1 0 393.285 2.080 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000848211201 653964602 /nfs/dbraw/zinc/96/46/02/653964602.db2.gz GXQPPEWZAZCDSF-MRXNPFEDSA-N 1 0 395.301 2.013 20 0 GEADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3ccc(Br)cn3)C2)c1Cl ZINC000898364221 653964929 /nfs/dbraw/zinc/96/49/29/653964929.db2.gz IQUWTIZLUUPBOI-NSHDSACASA-N 1 0 384.665 2.362 20 0 GEADRO Cc1nnc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)[nH]1 ZINC000898370373 653965185 /nfs/dbraw/zinc/96/51/85/653965185.db2.gz AYGYWBWNMQYYKV-UHFFFAOYSA-N 1 0 395.305 2.149 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886008145 653965219 /nfs/dbraw/zinc/96/52/19/653965219.db2.gz HMMKSAQIHBLGQQ-LSDHHAIUSA-N 1 0 384.464 2.232 20 0 GEADRO CC[C@H]([NH2+]CC(=O)N(CC)CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795783668 653966039 /nfs/dbraw/zinc/96/60/39/653966039.db2.gz IMSAYQGOHFGUKV-AWEZNQCLSA-N 1 0 375.922 2.157 20 0 GEADRO C[C@H]1CN(C(=O)NCc2ncc(Br)cn2)CC[N@@H+](C2CCC2)C1 ZINC000898385784 653966446 /nfs/dbraw/zinc/96/64/46/653966446.db2.gz PQQLCQXQHOOJMS-GFCCVEGCSA-N 1 0 382.306 2.255 20 0 GEADRO CC[C@H]([NH2+]C1COC(C)(C)OC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795814394 653967950 /nfs/dbraw/zinc/96/79/50/653967950.db2.gz QXUCFTQLVOINML-AWEZNQCLSA-N 1 0 376.906 2.440 20 0 GEADRO Cc1c(Cl)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)sc1S(N)(=O)=O ZINC000848351900 653971766 /nfs/dbraw/zinc/97/17/66/653971766.db2.gz HGXCAOGGKSAKPY-MNOVXSKESA-N 1 0 391.946 2.104 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H]1CCC[C@@H](SC)C1)CCS2(=O)=O ZINC000898481526 653972474 /nfs/dbraw/zinc/97/24/74/653972474.db2.gz NKLAUVHOBZNVAU-VXSWHIBVSA-N 1 0 375.556 2.149 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1ccc(SC)s1)CCS2(=O)=O ZINC000898486427 653972967 /nfs/dbraw/zinc/97/29/67/653972967.db2.gz CYJHAXXKXLCKCV-BWBHSNQOSA-N 1 0 389.564 2.459 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1ncc(C(C)C)s1)CCS2(=O)=O ZINC000898488949 653973354 /nfs/dbraw/zinc/97/33/54/653973354.db2.gz MDTWHZQJHOAGGW-UIORMTCPSA-N 1 0 386.539 2.255 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886243207 653973925 /nfs/dbraw/zinc/97/39/25/653973925.db2.gz RARCHPNQRXKRRW-FFGGFLGDSA-N 1 0 380.286 2.225 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000867697799 653974385 /nfs/dbraw/zinc/97/43/85/653974385.db2.gz MGUHJLMKSNJDGG-MRXNPFEDSA-N 1 0 384.318 2.427 20 0 GEADRO O=C(NCc1cscc1Cl)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000898585427 653977003 /nfs/dbraw/zinc/97/70/03/653977003.db2.gz XACRFSJJSUZAGJ-BLLLJJGKSA-N 1 0 381.929 2.493 20 0 GEADRO CN(C)S(=O)(=O)C1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000886320828 653978601 /nfs/dbraw/zinc/97/86/01/653978601.db2.gz HLVQVASZYUCVHV-UHFFFAOYSA-N 1 0 385.961 2.318 20 0 GEADRO CCOc1cc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)cc(Cl)c1OC ZINC000886322269 653978901 /nfs/dbraw/zinc/97/89/01/653978901.db2.gz VJYFYCJGJRXMAI-UHFFFAOYSA-N 1 0 376.906 2.261 20 0 GEADRO Cn1cnc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1 ZINC000898632992 653979038 /nfs/dbraw/zinc/97/90/38/653979038.db2.gz MPTPYHQPSQGXER-UHFFFAOYSA-N 1 0 394.317 2.456 20 0 GEADRO O=C1C[C@]2(CC[N@@H+](Cn3cc(-c4ccc(Br)cc4)cn3)C2)CN1 ZINC000848486266 653980595 /nfs/dbraw/zinc/98/05/95/653980595.db2.gz DPHQYFBZXIUACO-QGZVFWFLSA-N 1 0 375.270 2.482 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(I)n1 ZINC000827209631 653981344 /nfs/dbraw/zinc/98/13/44/653981344.db2.gz CWLSFZDAZPTCBE-SECBINFHSA-N 1 0 379.267 2.352 20 0 GEADRO CCOC(=O)c1cccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)n1 ZINC000898719155 653981662 /nfs/dbraw/zinc/98/16/62/653981662.db2.gz CFOBEQWEMNABFO-GFCCVEGCSA-N 1 0 379.258 2.322 20 0 GEADRO Fc1ccc(-n2cc(C[NH2+][C@H]3CCc4ncc(Br)n4C3)nn2)cc1 ZINC000898720925 653981973 /nfs/dbraw/zinc/98/19/73/653981973.db2.gz OKFYIYJUWZQXSX-LBPRGKRZSA-N 1 0 391.248 2.470 20 0 GEADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1ncc(C3OCCO3)s1)CC2 ZINC000898720234 653982101 /nfs/dbraw/zinc/98/21/01/653982101.db2.gz KNOZQQVILBWXJA-VIFPVBQESA-N 1 0 385.287 2.252 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CC3(Br)Br)CC[C@@H]21 ZINC000827231066 653982109 /nfs/dbraw/zinc/98/21/09/653982109.db2.gz FQNXLMASQBUFPO-JFGNBEQYSA-N 1 0 380.124 2.435 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cccnc3-n3cc(Br)cn3)CC[C@H]21 ZINC000827247411 653982803 /nfs/dbraw/zinc/98/28/03/653982803.db2.gz WWMQQUCLBQAIKL-SWLSCSKDSA-N 1 0 390.285 2.196 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccnc3-n3cc(Br)cn3)CC[C@H]21 ZINC000827247409 653982987 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[NH3+][C@@H](CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)C1CC1 ZINC000827352118 653987540 /nfs/dbraw/zinc/98/75/40/653987540.db2.gz XUQKJETXRKSYMF-JSGCOSHPSA-N 1 0 395.301 2.149 20 0 GEADRO CN(CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2)C(=O)c1ccc(Br)o1 ZINC000898844698 653988095 /nfs/dbraw/zinc/98/80/95/653988095.db2.gz KGJJLMZTLIXCFX-OLZOCXBDSA-N 1 0 398.301 2.103 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848598675 653988327 /nfs/dbraw/zinc/98/83/27/653988327.db2.gz PNBLIXSYSKRVEO-QWRGUYRKSA-N 1 0 384.196 2.014 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)C(F)(F)F ZINC000848598677 653988506 /nfs/dbraw/zinc/98/85/06/653988506.db2.gz POOIRTDQXUOTLM-GFCCVEGCSA-N 1 0 380.798 2.425 20 0 GEADRO C[NH+]1CCC(OCC(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000827387257 653989268 /nfs/dbraw/zinc/98/92/68/653989268.db2.gz ZNDFAUSXXKCMBO-UHFFFAOYSA-N 1 0 377.229 2.454 20 0 GEADRO C[NH+]1CCC(NC(=S)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 ZINC000848653196 653989880 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C[C@@H](CNC(=O)C(F)(F)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000827579400 653998532 /nfs/dbraw/zinc/99/85/32/653998532.db2.gz CUXILWZDBHGKCF-LBPRGKRZSA-N 1 0 390.272 2.293 20 0 GEADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]CC2SCCS2)C1 ZINC000827612960 653999982 /nfs/dbraw/zinc/99/99/82/653999982.db2.gz JIZUKLJNZSOPNX-ZDUSSCGKSA-N 1 0 389.587 2.145 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000848931342 654000255 /nfs/dbraw/zinc/00/02/55/654000255.db2.gz BXKIBMBQEYCQTO-ZDUSSCGKSA-N 1 0 396.329 2.364 20 0 GEADRO CC(C)(C)OC(=O)N1CCN2C(NC[C@]3(C)CC3(Cl)Cl)=[NH+]C[C@@H]2C1 ZINC000849114731 654005069 /nfs/dbraw/zinc/00/50/69/654005069.db2.gz SHYNYXUYENXNEB-ABAIWWIYSA-N 1 0 377.316 2.451 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C[C@@]1(C)CC1(Cl)Cl)[C@H]1CCS(=O)(=O)C1 ZINC000827740356 654006110 /nfs/dbraw/zinc/00/61/10/654006110.db2.gz YKCMXYXKQCSNJB-ZFWWWQNUSA-N 1 0 399.384 2.318 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872604 654006293 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Cc1cc(Br)ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886898031 654008176 /nfs/dbraw/zinc/00/81/76/654008176.db2.gz PMOKJKHIBZRQSI-SNVBAGLBSA-N 1 0 383.258 2.281 20 0 GEADRO Cc1cccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1Br ZINC000886897655 654008181 /nfs/dbraw/zinc/00/81/81/654008181.db2.gz DWZPMKSUQCLKAL-JTQLQIEISA-N 1 0 383.258 2.281 20 0 GEADRO COc1c(C)cc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)cc1Cl ZINC000796797512 654008415 /nfs/dbraw/zinc/00/84/15/654008415.db2.gz HYVJJRMPXRMNNE-GFCCVEGCSA-N 1 0 387.889 2.415 20 0 GEADRO Cc1ccoc1C(=O)NCCCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867943619 654009435 /nfs/dbraw/zinc/00/94/35/654009435.db2.gz AQQAXONYNNHVCI-AWEZNQCLSA-N 1 0 394.269 2.287 20 0 GEADRO [NH3+][C@@H](C(=O)NCCCOCC1CCOCC1)c1cccc(Br)c1 ZINC000867954026 654010535 /nfs/dbraw/zinc/01/05/35/654010535.db2.gz FXACDVFHFWXMAE-MRXNPFEDSA-N 1 0 385.302 2.398 20 0 GEADRO COc1cc(I)ccc1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000867964151 654011183 /nfs/dbraw/zinc/01/11/83/654011183.db2.gz KMLDETLQPWXIBR-QWRGUYRKSA-N 1 0 388.249 2.418 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H]2[C@H](C)CC[NH2+][C@H]2C)c1I ZINC000867971614 654012141 /nfs/dbraw/zinc/01/21/41/654012141.db2.gz SMXYZDADZMYZAN-SCVCMEIPSA-N 1 0 390.269 2.185 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000827899007 654012261 /nfs/dbraw/zinc/01/22/61/654012261.db2.gz YIFNAFAEHHXBPW-GFCCVEGCSA-N 1 0 378.416 2.394 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cnn(C(C)C)c1Br ZINC000867975904 654012406 /nfs/dbraw/zinc/01/24/06/654012406.db2.gz RELSQYYMMBWMJV-LBPRGKRZSA-N 1 0 375.311 2.049 20 0 GEADRO COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867976967 654012414 /nfs/dbraw/zinc/01/24/14/654012414.db2.gz XMURBKSDNQGTPQ-VHSXEESVSA-N 1 0 383.164 2.059 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H](C[NH3+])C(C)(C)C)c1I ZINC000867979785 654012821 /nfs/dbraw/zinc/01/28/21/654012821.db2.gz JZQGTDLWIKAGFQ-SNVBAGLBSA-N 1 0 378.258 2.172 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@H]1CC[NH2+]C12CCCC2)c1cccc(Br)c1 ZINC000867982317 654013070 /nfs/dbraw/zinc/01/30/70/654013070.db2.gz OWKKKDQKXOSBLP-JKSUJKDBSA-N 1 0 394.313 2.417 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000849326740 654013107 /nfs/dbraw/zinc/01/31/07/654013107.db2.gz FLFDTVYKUYUNRD-CQSZACIVSA-N 1 0 376.316 2.287 20 0 GEADRO C[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C1CC[NH2+]CC1 ZINC000868006108 654013779 /nfs/dbraw/zinc/01/37/79/654013779.db2.gz HBIWHAMFPCDQAL-LLVKDONJSA-N 1 0 383.286 2.267 20 0 GEADRO C[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000868008143 654013806 /nfs/dbraw/zinc/01/38/06/654013806.db2.gz GAMZGBCPRQRFOT-LBPRGKRZSA-N 1 0 382.302 2.073 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C1CC[NH2+]CC1 ZINC000868011469 654014042 /nfs/dbraw/zinc/01/40/42/654014042.db2.gz LWTNXXGCICOGDE-GXTWGEPZSA-N 1 0 394.313 2.306 20 0 GEADRO COc1cc(I)ccc1C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868015464 654014388 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O=C(Nc1ccc(Br)cc1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887037001 654016178 /nfs/dbraw/zinc/01/61/78/654016178.db2.gz RUHCXSIADFOLNI-QGZVFWFLSA-N 1 0 380.286 2.380 20 0 GEADRO CCOc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000887035861 654016191 /nfs/dbraw/zinc/01/61/91/654016191.db2.gz YRXJRJSMOBYWCP-SNVBAGLBSA-N 1 0 375.803 2.038 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)ncc1Br ZINC000887040851 654016246 /nfs/dbraw/zinc/01/62/46/654016246.db2.gz MJNWRZBFXXZMQR-QGZVFWFLSA-N 1 0 395.301 2.083 20 0 GEADRO COc1ccc(I)c(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000868114847 654018873 /nfs/dbraw/zinc/01/88/73/654018873.db2.gz MKLMAWMWRMQCIN-DTORHVGOSA-N 1 0 375.210 2.159 20 0 GEADRO CN(CCc1cccs1)C(=O)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000887075861 654019711 /nfs/dbraw/zinc/01/97/11/654019711.db2.gz QHOVMAGLQAZZGO-UHFFFAOYSA-N 1 0 379.913 2.390 20 0 GEADRO O[C@@H]1C[C@H]2CN(C(=S)Nc3ccccc3OCC(F)(F)F)CC[N@@H+]2C1 ZINC000899538387 654020491 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2.343 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868306516 654029629 /nfs/dbraw/zinc/02/96/29/654029629.db2.gz YQMKDTKKIDVUPT-UBSAEIQESA-N 1 0 380.286 2.343 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)cc1Br ZINC000868307536 654029693 /nfs/dbraw/zinc/02/96/93/654029693.db2.gz FJTUCMZUWWVQLW-ZSBIGDGJSA-N 1 0 398.276 2.482 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1ccc(F)c(Br)c1 ZINC000868306901 654029784 /nfs/dbraw/zinc/02/97/84/654029784.db2.gz GUTQTDRCAIKPBU-JGPRNRPPSA-N 1 0 384.249 2.174 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)ncc1Br ZINC000868312605 654030470 /nfs/dbraw/zinc/03/04/70/654030470.db2.gz SULMEKQJWUHBHL-KRWDZBQOSA-N 1 0 397.317 2.315 20 0 GEADRO C[N@H+](CCO)CCNC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000899731778 654030618 /nfs/dbraw/zinc/03/06/18/654030618.db2.gz KCQWUJAGFQJJRQ-UHFFFAOYSA-N 1 0 397.269 2.275 20 0 GEADRO [NH3+]C1CCN(Cc2cn([C@H]3CCOc4ccc(Br)cc43)nn2)CC1 ZINC000899738739 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20 0 GEADRO CCOC(=O)CS[C@H](CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1)C(F)(F)F ZINC000828503897 654038155 /nfs/dbraw/zinc/03/81/55/654038155.db2.gz KYKHTMFGJPSGER-CHWSQXEVSA-N 1 0 382.448 2.347 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C(=O)Nc4c3cccc4Br)CC[C@H]21 ZINC000828509823 654038923 /nfs/dbraw/zinc/03/89/23/654038923.db2.gz FYWLCBQDNHPQFY-OSAQELSMSA-N 1 0 392.297 2.428 20 0 GEADRO CCOC(=O)CS[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC000828510379 654039190 /nfs/dbraw/zinc/03/91/90/654039190.db2.gz PNMXZLAPGUXXPZ-ZDUSSCGKSA-N 1 0 382.448 2.204 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(I)cc3O)C2)C1 ZINC000868534702 654042155 /nfs/dbraw/zinc/04/21/55/654042155.db2.gz KHRJZAFBEIBCGU-HNNXBMFYSA-N 1 0 386.233 2.165 20 0 GEADRO COc1ccc(Br)cc1CN(C)C(=O)c1ccnn1CC[NH+](C)C ZINC000899955525 654042574 /nfs/dbraw/zinc/04/25/74/654042574.db2.gz UTXXYKKXYZMFCL-UHFFFAOYSA-N 1 0 395.301 2.488 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849502066 654045755 /nfs/dbraw/zinc/04/57/55/654045755.db2.gz YRFGZJHDFDCXKS-LSDHHAIUSA-N 1 0 395.301 2.470 20 0 GEADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Br)nc2)cn1 ZINC000849565492 654046284 /nfs/dbraw/zinc/04/62/84/654046284.db2.gz UAKQSCAPAVETRN-UONOGXRCSA-N 1 0 378.274 2.252 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1nc(Br)sc1Cl ZINC000868637005 654047484 /nfs/dbraw/zinc/04/74/84/654047484.db2.gz QXYSQXQYZDVWTR-MRVPVSSYSA-N 1 0 382.711 2.136 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000900038848 654047523 /nfs/dbraw/zinc/04/75/23/654047523.db2.gz IPQALEWZKULVJI-UHFFFAOYSA-N 1 0 395.257 2.231 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000868761466 654054991 /nfs/dbraw/zinc/05/49/91/654054991.db2.gz CRHDEILZHYFSAN-SXBQZSJRSA-N 1 0 383.480 2.394 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)([NH+](C)C)C1 ZINC000798320517 654058670 /nfs/dbraw/zinc/05/86/70/654058670.db2.gz QUJSZQQOMHWAFB-SJKOYZFVSA-N 1 0 387.933 2.228 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000887926300 654059043 /nfs/dbraw/zinc/05/90/43/654059043.db2.gz CYQUUUZWIOVACW-KDOFPFPSSA-N 1 0 384.929 2.304 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000900323354 654059146 /nfs/dbraw/zinc/05/91/46/654059146.db2.gz SUZFVAGMMBHPBN-UHFFFAOYSA-N 1 0 387.311 2.451 20 0 GEADRO Cn1c(SCC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)nnc1-c1cccs1 ZINC000887934883 654059403 /nfs/dbraw/zinc/05/94/03/654059403.db2.gz YLKSIMNVHSKIFL-PXAZEXFGSA-N 1 0 377.539 2.046 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)Cn2ccc(Br)cc2=O)c(F)c1 ZINC000868868184 654059658 /nfs/dbraw/zinc/05/96/58/654059658.db2.gz BFUQHIHNCZLSCC-UHFFFAOYSA-N 1 0 382.233 2.450 20 0 GEADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)C12CC[NH+](CC1)C2 ZINC000900364220 654061080 /nfs/dbraw/zinc/06/10/80/654061080.db2.gz GSTBTQNZYWGQAN-AWEZNQCLSA-N 1 0 378.314 2.487 20 0 GEADRO Cc1cc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)oc1Br ZINC000829206198 654061999 /nfs/dbraw/zinc/06/19/99/654061999.db2.gz SZWPVWAQMOXAAX-UHFFFAOYSA-N 1 0 398.301 2.297 20 0 GEADRO Cc1sc(Br)nc1C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829241652 654063053 /nfs/dbraw/zinc/06/30/53/654063053.db2.gz FTMXXPZCJFHRGA-UHFFFAOYSA-N 1 0 388.331 2.398 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cnc(F)c(Br)c1 ZINC000829236791 654063194 /nfs/dbraw/zinc/06/31/94/654063194.db2.gz YQUWEXRHFPPAKT-UHFFFAOYSA-N 1 0 386.265 2.168 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000868944214 654063357 /nfs/dbraw/zinc/06/33/57/654063357.db2.gz GETJCELHAYPRHP-NRSFXHEJSA-N 1 0 393.325 2.298 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2c(Br)cccc2C1 ZINC000900468679 654065935 /nfs/dbraw/zinc/06/59/35/654065935.db2.gz LNYJNACDBNTLTC-UHFFFAOYSA-N 1 0 377.286 2.406 20 0 GEADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1)C(F)(F)F ZINC000798495217 654066493 /nfs/dbraw/zinc/06/64/93/654066493.db2.gz UFPOYLIXZLFROY-KCQAQPDRSA-N 1 0 384.464 2.485 20 0 GEADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(Br)nn2C)CC(=O)N1Cc1ccccc1 ZINC000798505045 654066568 /nfs/dbraw/zinc/06/65/68/654066568.db2.gz ICLPSEOUESQDPP-DOMZBBRYSA-N 1 0 377.286 2.462 20 0 GEADRO COc1ccc(Br)cc1C1([NH2+]CCCOC(=O)NC(N)=O)CC1 ZINC000829452324 654067900 /nfs/dbraw/zinc/06/79/00/654067900.db2.gz JODJSINWYNVYEP-UHFFFAOYSA-N 1 0 386.246 2.231 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000850236154 654069422 /nfs/dbraw/zinc/06/94/22/654069422.db2.gz BCJCOROUMKLPAM-ZDUSSCGKSA-N 1 0 394.273 2.456 20 0 GEADRO O=C(NCc1ccc(Br)cn1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000869120263 654070717 /nfs/dbraw/zinc/07/07/17/654070717.db2.gz NOKRPCMVMMDNFR-CQSZACIVSA-N 1 0 397.317 2.098 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2ccc(Br)cn2)CC1 ZINC000869121605 654070959 /nfs/dbraw/zinc/07/09/59/654070959.db2.gz FMJXYCQNMGXCRW-UHFFFAOYSA-N 1 0 397.317 2.240 20 0 GEADRO CC[C@](C)([NH3+])c1cn(Cc2cc(OC)c(C(=O)OC)cc2Br)nn1 ZINC000900596048 654071777 /nfs/dbraw/zinc/07/17/77/654071777.db2.gz ZNBRXRLCLSBOHB-INIZCTEOSA-N 1 0 397.273 2.468 20 0 GEADRO O=[S@@](CC[NH2+]Cc1cn2ccc(Br)cc2n1)CC(F)(F)F ZINC000850349389 654072261 /nfs/dbraw/zinc/07/22/61/654072261.db2.gz GGGBSOBSJHYYTH-NRFANRHFSA-N 1 0 384.221 2.497 20 0 GEADRO O=C(NCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(Br)cn1 ZINC000850351539 654072634 /nfs/dbraw/zinc/07/26/34/654072634.db2.gz PQTMRSDPWJJBQR-PWSUYJOCSA-N 1 0 396.207 2.273 20 0 GEADRO COc1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1OC(F)F ZINC000850364224 654072938 /nfs/dbraw/zinc/07/29/38/654072938.db2.gz VEYREOQTVMCWHL-UHFFFAOYSA-N 1 0 377.331 2.363 20 0 GEADRO CCn1c(Br)ncc1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000900625265 654073593 /nfs/dbraw/zinc/07/35/93/654073593.db2.gz VWKHVPDPPMLIDK-UHFFFAOYSA-N 1 0 387.322 2.285 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccc(Br)cc23)C1 ZINC000900625687 654073688 /nfs/dbraw/zinc/07/36/88/654073688.db2.gz YFDINIVULCTDES-CQSZACIVSA-N 1 0 380.286 2.310 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1Br ZINC000850374407 654073737 /nfs/dbraw/zinc/07/37/37/654073737.db2.gz MAOBZWGZXFEXGY-GJZGRUSLSA-N 1 0 397.294 2.365 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(C)(C)Cc1ccc(Br)cc1 ZINC000900661230 654075018 /nfs/dbraw/zinc/07/50/18/654075018.db2.gz YZKYCAVAXIIEEU-INIZCTEOSA-N 1 0 382.346 2.380 20 0 GEADRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000850418120 654076251 /nfs/dbraw/zinc/07/62/51/654076251.db2.gz YYDDAAJNYXQEEQ-LLVKDONJSA-N 1 0 391.921 2.332 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)c1c(C)[nH]nc1I ZINC000900688261 654076470 /nfs/dbraw/zinc/07/64/70/654076470.db2.gz FPGUIPOTBCXEMI-UHFFFAOYSA-N 1 0 378.258 2.175 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2csc(I)n2)C1 ZINC000829703777 654077296 /nfs/dbraw/zinc/07/72/96/654077296.db2.gz IEIYQTZGPODNEJ-BDAKNGLRSA-N 1 0 379.267 2.350 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)cc1 ZINC000850491079 654079037 /nfs/dbraw/zinc/07/90/37/654079037.db2.gz KWTJAUGMPKQFBK-QVQLBTGDSA-N 1 0 386.461 2.410 20 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654134246 /nfs/dbraw/zinc/13/42/46/654134246.db2.gz FRMMWALMQUBBHI-AWEZNQCLSA-N 1 0 397.704 2.474 20 0 GEADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000830674627 654135415 /nfs/dbraw/zinc/13/54/15/654135415.db2.gz NWASHNASAQAQAL-TZMCWYRMSA-N 1 0 395.219 2.483 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2nn3c(c2Br)CCC3)C1 ZINC000889329812 654137003 /nfs/dbraw/zinc/13/70/03/654137003.db2.gz HZFNQVCYIRLNQP-ZDUSSCGKSA-N 1 0 399.333 2.165 20 0 GEADRO CCCCn1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1Cl ZINC000800310098 654140511 /nfs/dbraw/zinc/14/05/11/654140511.db2.gz RUJPLMRDLGPYEH-UKRRQHHQSA-N 1 0 376.954 2.453 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NCc1cccs1 ZINC000901728893 654143954 /nfs/dbraw/zinc/14/39/54/654143954.db2.gz ORHKBASHVQPQTD-MNOVXSKESA-N 1 0 383.315 2.316 20 0 GEADRO O=C(NC[C@H]1CCCN1CC(F)(F)F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000830943860 654151268 /nfs/dbraw/zinc/15/12/68/654151268.db2.gz GXGOTXWTELMDGS-CABCVRRESA-N 1 0 379.492 2.347 20 0 GEADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)Cc1cccc(Br)c1)CC2 ZINC000918900829 654165338 /nfs/dbraw/zinc/16/53/38/654165338.db2.gz WCNBFPWPEOKHNR-UHFFFAOYSA-N 1 0 382.283 2.314 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1Cl ZINC000918947112 654166224 /nfs/dbraw/zinc/16/62/24/654166224.db2.gz KABKMGXBMUSYPL-HNNXBMFYSA-N 1 0 381.325 2.379 20 0 GEADRO O=C(c1ccc(SC(F)(F)F)nc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889745310 654166372 /nfs/dbraw/zinc/16/63/72/654166372.db2.gz STJBOGLANYMIGC-CHWSQXEVSA-N 1 0 375.416 2.365 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000918961298 654166675 /nfs/dbraw/zinc/16/66/75/654166675.db2.gz DOWRVRLACSQVCC-AWEZNQCLSA-N 1 0 385.288 2.210 20 0 GEADRO CO[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccccc1Br ZINC000889748912 654166862 /nfs/dbraw/zinc/16/68/62/654166862.db2.gz INACXACRCICKMA-ULQDDVLXSA-N 1 0 397.313 2.194 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2cc3nc(Cl)ccc3s2)C1 ZINC000918964324 654167098 /nfs/dbraw/zinc/16/70/98/654167098.db2.gz ZGGQOFOMWAYEAM-HNNXBMFYSA-N 1 0 389.930 2.027 20 0 GEADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000851641028 654167527 /nfs/dbraw/zinc/16/75/27/654167527.db2.gz IXCDJXSCJIBQLR-NQBHXWOUSA-N 1 0 378.416 2.426 20 0 GEADRO C[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@H](C[NH3+])C1 ZINC000851646813 654167561 /nfs/dbraw/zinc/16/75/61/654167561.db2.gz MOHULNKWBCVHCY-MNOVXSKESA-N 1 0 389.315 2.052 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889755038 654167821 /nfs/dbraw/zinc/16/78/21/654167821.db2.gz CVXPKJILYIQETL-CVEARBPZSA-N 1 0 385.277 2.188 20 0 GEADRO C[NH2+]CCCNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851661062 654168183 /nfs/dbraw/zinc/16/81/83/654168183.db2.gz DNUGKKFMVSAAII-KOLCDFICSA-N 1 0 383.128 2.133 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851667864 654168593 /nfs/dbraw/zinc/16/85/93/654168593.db2.gz QBVCLIWWFGXRDC-NGZCFLSTSA-N 1 0 383.128 2.261 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000851668687 654168683 /nfs/dbraw/zinc/16/86/83/654168683.db2.gz IGDXTIWFDSJHMQ-ZDUSSCGKSA-N 1 0 393.359 2.250 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889768733 654171139 /nfs/dbraw/zinc/17/11/39/654171139.db2.gz PCHYKNASYVVHMZ-RRQGHBQHSA-N 1 0 397.313 2.274 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889776338 654171897 /nfs/dbraw/zinc/17/18/97/654171897.db2.gz ZQHJODBVNWRISQ-CVEARBPZSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(CCOc1ccccc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889774852 654171918 /nfs/dbraw/zinc/17/19/18/654171918.db2.gz RNLVNXRCPBXZNP-JKSUJKDBSA-N 1 0 397.313 2.276 20 0 GEADRO O=C(CCOc1cccc(Br)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889779767 654172329 /nfs/dbraw/zinc/17/23/29/654172329.db2.gz HFGHOEDNRVXVCK-IAGOWNOFSA-N 1 0 397.313 2.276 20 0 GEADRO C[N@H+](CCc1ccc(Br)cc1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851761900 654175300 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C[NH+]1CCN(c2ccnc(NC(=O)c3nc(Br)ccc3F)c2)CC1 ZINC000870666989 654187517 /nfs/dbraw/zinc/18/75/17/654187517.db2.gz PFALYQMHJAODHT-UHFFFAOYSA-N 1 0 394.248 2.382 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(F)c3Br)CC[C@H]21 ZINC000890019442 654192821 /nfs/dbraw/zinc/19/28/21/654192821.db2.gz UCPOPTIWPBBSGC-BXUZGUMPSA-N 1 0 398.276 2.469 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1 ZINC000919853494 654194297 /nfs/dbraw/zinc/19/42/97/654194297.db2.gz IJNQMNYWKSVHCT-NEPJUHHUSA-N 1 0 389.315 2.315 20 0 GEADRO Cn1c2ccccc2c(Br)c1C[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000902719726 654195466 /nfs/dbraw/zinc/19/54/66/654195466.db2.gz RUZDPLIRQBWKTB-UHFFFAOYSA-N 1 0 391.269 2.383 20 0 GEADRO CC1(C)CC[N@H+](CCNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000890072188 654195559 /nfs/dbraw/zinc/19/55/59/654195559.db2.gz IYMDSMDZNKALEG-UHFFFAOYSA-N 1 0 388.331 2.089 20 0 GEADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000851878548 654198306 /nfs/dbraw/zinc/19/83/06/654198306.db2.gz CMBXTLOWOJVNAN-HNNXBMFYSA-N 1 0 387.933 2.140 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c(Cl)n1 ZINC000851880286 654199174 /nfs/dbraw/zinc/19/91/74/654199174.db2.gz QSCJVNIXPHCZDX-AWEZNQCLSA-N 1 0 387.933 2.307 20 0 GEADRO Cc1cc(CN2CCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2)no1 ZINC000870856610 654200284 /nfs/dbraw/zinc/20/02/84/654200284.db2.gz SFHSDLGUGWTHJO-INIZCTEOSA-N 1 0 393.285 2.090 20 0 GEADRO CN(C(=O)C(=O)Nc1cccc(F)c1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000890153254 654200806 /nfs/dbraw/zinc/20/08/06/654200806.db2.gz KEZGMXAWSMRAGR-NSHDSACASA-N 1 0 384.249 2.222 20 0 GEADRO CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870866782 654200894 /nfs/dbraw/zinc/20/08/94/654200894.db2.gz MEOZEABFHLQWQF-ZIAGYGMSSA-N 1 0 384.274 2.186 20 0 GEADRO CC(C)(C)C(=O)N1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870863401 654200985 /nfs/dbraw/zinc/20/09/85/654200985.db2.gz FLUVILLKSJZVHO-CQSZACIVSA-N 1 0 382.302 2.166 20 0 GEADRO CCO[C@@H](CNC(=O)CCc1ccc(OC)cc1Br)C[NH+](C)C ZINC000831707406 654201366 /nfs/dbraw/zinc/20/13/66/654201366.db2.gz DUWNUEOPFCVFTD-HNNXBMFYSA-N 1 0 387.318 2.473 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)c1cccc(Br)c1 ZINC000870867737 654201591 /nfs/dbraw/zinc/20/15/91/654201591.db2.gz KMCCIFSTOYYHCZ-HOCLYGCPSA-N 1 0 394.313 2.214 20 0 GEADRO O=C(CC[NH2+]CC1CC1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000870868061 654201595 /nfs/dbraw/zinc/20/15/95/654201595.db2.gz RBEUQJOVXKQKPL-UHFFFAOYSA-N 1 0 375.782 2.407 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)c1cccs1 ZINC000902887045 654202313 /nfs/dbraw/zinc/20/23/13/654202313.db2.gz XVWWBHBMKPNMKW-IXDOHACOSA-N 1 0 387.567 2.458 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c(Cl)nc2ccccn21 ZINC000851894992 654202516 /nfs/dbraw/zinc/20/25/16/654202516.db2.gz SRRXIMZVIQMGID-CQSZACIVSA-N 1 0 382.917 2.388 20 0 GEADRO CCO[C@H](CNC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C)C[NH+](C)C ZINC000831719778 654202557 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CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(Cl)c1F)C2 ZINC000920281586 654208572 /nfs/dbraw/zinc/20/85/72/654208572.db2.gz FEDLDEFMRYFZGP-OMNBBPDLSA-N 1 0 390.908 2.237 20 0 GEADRO CCS(=O)(=O)NC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000903004995 654208998 /nfs/dbraw/zinc/20/89/98/654208998.db2.gz QSQLZTLFIRKZMI-UHFFFAOYSA-N 1 0 391.331 2.232 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000870939049 654209633 /nfs/dbraw/zinc/20/96/33/654209633.db2.gz YALCBGUKUCSEQY-WFVVYAPDSA-N 1 0 394.313 2.368 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2cn(C)nn2)cc1Br ZINC000903012912 654209673 /nfs/dbraw/zinc/20/96/73/654209673.db2.gz VOPUYZPQBSSBNX-WCQYABFASA-N 1 0 383.290 2.088 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCCC(C)(F)F)C2)[C@@H]1C(C)C ZINC000920311344 654209793 /nfs/dbraw/zinc/20/97/93/654209793.db2.gz VTJUJEJTQPQNDR-AIANPOQGSA-N 1 0 382.517 2.211 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC=C(Cl)Cl)C2)[C@@H]1C(C)C ZINC000920309675 654209872 /nfs/dbraw/zinc/20/98/72/654209872.db2.gz LPUXEWAZWJHZBJ-RJZRQDKASA-N 1 0 385.357 2.095 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1I ZINC000870940625 654210029 /nfs/dbraw/zinc/21/00/29/654210029.db2.gz MHWICIULLQBONE-UWVGGRQHSA-N 1 0 376.242 2.068 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903013126 654210191 /nfs/dbraw/zinc/21/01/91/654210191.db2.gz XGENBQJRYSQZNU-NWDGAFQWSA-N 1 0 383.290 2.088 20 0 GEADRO O=S(=O)(N[C@H]1CCCN(CCCO)C1)c1ccc2nc(Cl)sc2c1 ZINC000831810853 654211249 /nfs/dbraw/zinc/21/12/49/654211249.db2.gz YPVSRAWTAWPJJZ-NSHDSACASA-N 1 0 389.930 2.075 20 0 GEADRO C[C@]12CC[N@H+](CCN3CCCC3=O)C[C@H]1C2(Br)Br ZINC000852335651 654233121 /nfs/dbraw/zinc/23/31/21/654233121.db2.gz JSDKIOZESMHLLI-PWSUYJOCSA-N 1 0 380.124 2.437 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000870946170 654212675 /nfs/dbraw/zinc/21/26/75/654212675.db2.gz QNWSGNIFIOGIGN-PEYYIBSZSA-N 1 0 382.302 2.070 20 0 GEADRO CN(C(=O)[C@H]1CC[N@H+](CCn2cnc(Br)n2)C1)c1ccccc1 ZINC000852007297 654212688 /nfs/dbraw/zinc/21/26/88/654212688.db2.gz ZDMNPNDNFHRVIP-ZDUSSCGKSA-N 1 0 378.274 2.026 20 0 GEADRO CN1CC[C@@H]([NH2+]CCn2cnc(Br)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000852017944 654213216 /nfs/dbraw/zinc/21/32/16/654213216.db2.gz HKUROSPVKUERAL-ZIAGYGMSSA-N 1 0 386.244 2.354 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(F)c3Br)C2)C1 ZINC000890299025 654213214 /nfs/dbraw/zinc/21/32/14/654213214.db2.gz GRWHTVSNIVRRET-QGZVFWFLSA-N 1 0 398.276 2.471 20 0 GEADRO C[NH+]1CCN(c2ccncc2NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000903081440 654215257 /nfs/dbraw/zinc/21/52/57/654215257.db2.gz WLFSFMHOMQFSIK-CQSZACIVSA-N 1 0 393.340 2.159 20 0 GEADRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903089307 654215757 /nfs/dbraw/zinc/21/57/57/654215757.db2.gz PRRWIYAFJHJGSX-LLVKDONJSA-N 1 0 380.388 2.473 20 0 GEADRO C[C@H]([NH2+]CCCN1CCOC1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903089308 654215928 /nfs/dbraw/zinc/21/59/28/654215928.db2.gz PRRWIYAFJHJGSX-NSHDSACASA-N 1 0 380.388 2.473 20 0 GEADRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000903093505 654216311 /nfs/dbraw/zinc/21/63/11/654216311.db2.gz RWZIDBXFGLQKFD-GXTWGEPZSA-N 1 0 380.432 2.351 20 0 GEADRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccc(N2CCCNC2=O)cc1 ZINC000852071416 654216401 /nfs/dbraw/zinc/21/64/01/654216401.db2.gz LHJWNKLICUIGBW-LBPRGKRZSA-N 1 0 393.289 2.311 20 0 GEADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903113062 654217667 /nfs/dbraw/zinc/21/76/67/654217667.db2.gz LQBVIUPVFPUIGR-GHMZBOCLSA-N 1 0 387.445 2.454 20 0 GEADRO Brc1ccc(C[NH2+][C@H]2CCO[C@@]23CCOC3)c(N2CCOCC2)c1 ZINC000903124586 654218828 /nfs/dbraw/zinc/21/88/28/654218828.db2.gz HMAYPRZVUGAZOI-ZWKOTPCHSA-N 1 0 397.313 2.323 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852125079 654219482 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CCOC(=O)CC1([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CCOCC1 ZINC000852727107 654256327 /nfs/dbraw/zinc/25/63/27/654256327.db2.gz FIHWVKIVIREIEW-UHFFFAOYSA-N 1 0 389.901 2.206 20 0 GEADRO Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562371 654256698 /nfs/dbraw/zinc/25/66/98/654256698.db2.gz KIAANZLMFACNND-CALCHBBNSA-N 1 0 383.945 2.238 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000903570981 654257899 /nfs/dbraw/zinc/25/78/99/654257899.db2.gz LOJJGJJYNWCDNB-XWEPSHTISA-N 1 0 387.221 2.484 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1Cl ZINC000903570876 654257922 /nfs/dbraw/zinc/25/79/22/654257922.db2.gz GUGOYIUQBYQIKT-ZKCHVHJHSA-N 1 0 383.695 2.127 20 0 GEADRO COC(=O)NCCc1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)s1 ZINC000832298305 654258075 /nfs/dbraw/zinc/25/80/75/654258075.db2.gz LJYWXYYADUQACS-UHFFFAOYSA-N 1 0 391.559 2.045 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)nc1 ZINC000903573524 654258649 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GEADRO Cc1ccc(NC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc1I ZINC000852783929 654260418 /nfs/dbraw/zinc/26/04/18/654260418.db2.gz YSSMGIAHGBKFKP-ZDUSSCGKSA-N 1 0 386.233 2.307 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc3c(cc1Cl)CCCC(=O)N3)C2 ZINC000903577770 654260478 /nfs/dbraw/zinc/26/04/78/654260478.db2.gz XNFZOMJUAHXMJK-UHTWSYAYSA-N 1 0 383.901 2.115 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC[C@H]1C(F)(F)F ZINC000903578617 654260695 /nfs/dbraw/zinc/26/06/95/654260695.db2.gz IOODSIBDMSHTQD-SVRRBLITSA-N 1 0 378.203 2.289 20 0 GEADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc3c(cc1Cl)CCCC(=O)N3)C2 ZINC000871804846 654260925 /nfs/dbraw/zinc/26/09/25/654260925.db2.gz HQXMBPHRWCWOJH-SJKOYZFVSA-N 1 0 383.901 2.117 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)[C@@H]1CCC[NH2+]C1 ZINC000871805218 654261275 /nfs/dbraw/zinc/26/12/75/654261275.db2.gz QPQUGEPTHOOYDJ-WCQYABFASA-N 1 0 385.917 2.281 20 0 GEADRO O=C(c1cc2c(s1)CC[NH2+]C2)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000852808812 654261239 /nfs/dbraw/zinc/26/12/39/654261239.db2.gz KKONDJMKTYBSOT-UHFFFAOYSA-N 1 0 376.913 2.400 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000832363976 654261652 /nfs/dbraw/zinc/26/16/52/654261652.db2.gz BAOQLMNTKMYXSP-CQSZACIVSA-N 1 0 397.372 2.314 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC[C@@H]1C(F)(F)F ZINC000903580907 654261732 /nfs/dbraw/zinc/26/17/32/654261732.db2.gz ZNDYDDWGWIQALB-CMPLNLGQSA-N 1 0 396.818 2.369 20 0 GEADRO CO[C@H](CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000903581488 654262069 /nfs/dbraw/zinc/26/20/69/654262069.db2.gz MYXSYNCGEABRSO-HZSPNIEDSA-N 1 0 384.395 2.055 20 0 GEADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)cc(Cl)c1 ZINC000871811143 654262519 /nfs/dbraw/zinc/26/25/19/654262519.db2.gz UCBKRJAFUATLLU-CYBMUJFWSA-N 1 0 379.309 2.430 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000871811508 654262886 /nfs/dbraw/zinc/26/28/86/654262886.db2.gz PMGVJXXCUYRDCC-PSASIEDQSA-N 1 0 376.322 2.463 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@@H]1C(F)(F)F ZINC000871813129 654263158 /nfs/dbraw/zinc/26/31/58/654263158.db2.gz GDZFWXYHKLXDCU-BQBZGAKWSA-N 1 0 378.203 2.146 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000871814360 654263956 /nfs/dbraw/zinc/26/39/56/654263956.db2.gz SRRFIEUVIVBWDT-UWVGGRQHSA-N 1 0 386.823 2.415 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903587948 654264066 /nfs/dbraw/zinc/26/40/66/654264066.db2.gz CIZHFOXAFZVQDB-GTNSWQLSSA-N 1 0 381.885 2.399 20 0 GEADRO CC1(C)CN(S(=O)(=O)c2cnc3c(Br)csc3c2)C[C@H]1[NH3+] ZINC000903587124 654264139 /nfs/dbraw/zinc/26/41/39/654264139.db2.gz PXGPRGNBVUKJPR-LLVKDONJSA-N 1 0 390.328 2.417 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc(Cl)cc1Br)C2 ZINC000871814602 654264374 /nfs/dbraw/zinc/26/43/74/654264374.db2.gz CRQMKWHCUMMTGT-TVQRCGJNSA-N 1 0 379.707 2.333 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000852867324 654264542 /nfs/dbraw/zinc/26/45/42/654264542.db2.gz SSXKNJIPRXFBCV-MRXNPFEDSA-N 1 0 389.949 2.472 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000903589980 654264714 /nfs/dbraw/zinc/26/47/14/654264714.db2.gz SBCIFWTWXRRCGB-GUYCJALGSA-N 1 0 380.901 2.336 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903589950 654264824 /nfs/dbraw/zinc/26/48/24/654264824.db2.gz RNEQGIQODUUAIY-LKFCYVNXSA-N 1 0 393.278 2.099 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1Cl ZINC000871817859 654265097 /nfs/dbraw/zinc/26/50/97/654265097.db2.gz VRVBQFYQVQZCFP-LSDHHAIUSA-N 1 0 375.853 2.000 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CCC[C@]34CC[NH2+]C4)cc2N1 ZINC000903592284 654265224 /nfs/dbraw/zinc/26/52/24/654265224.db2.gz LORBOIFACUONHG-QGZVFWFLSA-N 1 0 383.901 2.131 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1Cl ZINC000871817857 654265188 /nfs/dbraw/zinc/26/51/88/654265188.db2.gz VRVBQFYQVQZCFP-GJZGRUSLSA-N 1 0 375.853 2.000 20 0 GEADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000852881933 654265367 /nfs/dbraw/zinc/26/53/67/654265367.db2.gz TURUJJDCFIWGHN-IUODEOHRSA-N 1 0 375.270 2.459 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)=NO1 ZINC000852886451 654265631 /nfs/dbraw/zinc/26/56/31/654265631.db2.gz MSCOEUXNAFRDBR-OAHLLOKOSA-N 1 0 385.295 2.178 20 0 GEADRO O=C(C=C1CC[NH2+]CC1)NCCOc1ccc(I)cc1 ZINC000852888199 654265785 /nfs/dbraw/zinc/26/57/85/654265785.db2.gz VAPKGGQQTURHSA-UHFFFAOYSA-N 1 0 386.233 2.096 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)=NO1 ZINC000852886450 654265949 /nfs/dbraw/zinc/26/59/49/654265949.db2.gz MSCOEUXNAFRDBR-HNNXBMFYSA-N 1 0 385.295 2.178 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000852895626 654266107 /nfs/dbraw/zinc/26/61/07/654266107.db2.gz GAPZQTZLLYGSGZ-GFCCVEGCSA-N 1 0 398.139 2.110 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)C[C@H]1C[NH3+] ZINC000852895764 654266119 /nfs/dbraw/zinc/26/61/19/654266119.db2.gz IPZKJYMCYRMGSE-IUODEOHRSA-N 1 0 393.285 2.071 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)s1 ZINC000903598831 654266652 /nfs/dbraw/zinc/26/66/52/654266652.db2.gz FVUAMZYAZZHJID-UHFFFAOYSA-N 1 0 380.491 2.177 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C2)C1 ZINC000891146915 654267441 /nfs/dbraw/zinc/26/74/41/654267441.db2.gz YWNKGVIIUGPFIK-CRAIPNDOSA-N 1 0 393.281 2.085 20 0 GEADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cccc2nsnc21)c1cccnc1 ZINC000921479236 654272403 /nfs/dbraw/zinc/27/24/03/654272403.db2.gz DVLVCIVAGAPEQE-ZDUSSCGKSA-N 1 0 377.495 2.058 20 0 GEADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ncccc1Br)c1cccnc1 ZINC000921478696 654272462 /nfs/dbraw/zinc/27/24/62/654272462.db2.gz QHQIERVHILSKCP-AWEZNQCLSA-N 1 0 399.314 2.210 20 0 GEADRO C[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)CC1(C)OCCO1 ZINC000871898316 654274537 /nfs/dbraw/zinc/27/45/37/654274537.db2.gz BOMPJHMNELWSPC-YGRLFVJLSA-N 1 0 389.265 2.493 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(O)CCC(C)CC1 ZINC000853092110 654278783 /nfs/dbraw/zinc/27/87/83/654278783.db2.gz BASGGECETGRPIL-KDJCLPLCSA-N 1 0 389.949 2.235 20 0 GEADRO O[C@H](C[NH2+]CCOc1ccc(I)cc1)c1ccccn1 ZINC000853102902 654279266 /nfs/dbraw/zinc/27/92/66/654279266.db2.gz HNBRVEPYANSSOU-OAHLLOKOSA-N 1 0 384.217 2.388 20 0 GEADRO O=C1N(CC[NH2+]C[C@@H](O)c2ccc(Br)cc2)C[C@H]2CCCCN12 ZINC000853118847 654280264 /nfs/dbraw/zinc/28/02/64/654280264.db2.gz RZWKJPOPZLIVFU-HZPDHXFCSA-N 1 0 382.302 2.362 20 0 GEADRO CN(Cc1ccc(Cl)cc1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903713727 654280519 /nfs/dbraw/zinc/28/05/19/654280519.db2.gz ARBMEUAEBFHMNT-QWHCGFSZSA-N 1 0 377.794 2.037 20 0 GEADRO CN(Cc1ccc(Cl)cc1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903713728 654280641 /nfs/dbraw/zinc/28/06/41/654280641.db2.gz ARBMEUAEBFHMNT-STQMWFEESA-N 1 0 377.794 2.037 20 0 GEADRO COC(=O)[C@H](Nc1cc2n(n1)CC[N@H+](C)C2)c1cccc(Br)c1 ZINC000871926006 654280835 /nfs/dbraw/zinc/28/08/35/654280835.db2.gz CSOOHQIZPVDPCO-OAHLLOKOSA-N 1 0 379.258 2.417 20 0 GEADRO C[N@@H+]1CCn2nc(N[C@@H]3CCN(c4cccc(Br)c4)C3=O)cc2C1 ZINC000871927539 654281371 /nfs/dbraw/zinc/28/13/71/654281371.db2.gz WPDHQFOEFAGGJO-OAHLLOKOSA-N 1 0 390.285 2.308 20 0 GEADRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903721154 654281618 /nfs/dbraw/zinc/28/16/18/654281618.db2.gz YCHMZQRPCBSDMW-ZWKOPEQDSA-N 1 0 377.794 2.207 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000903781568 654283301 /nfs/dbraw/zinc/28/33/01/654283301.db2.gz VYTHFOVGKVDQGC-AWEZNQCLSA-N 1 0 382.302 2.008 20 0 GEADRO C[NH2+]CC1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000832653016 654283281 /nfs/dbraw/zinc/28/32/81/654283281.db2.gz PBBZRCGYFSBFPE-UHFFFAOYSA-N 1 0 378.274 2.101 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCCN2Cc1nnnn1-c1ccccc1Br ZINC000903800244 654283803 /nfs/dbraw/zinc/28/38/03/654283803.db2.gz VQMIFQUPRQWIHK-WBMJQRKESA-N 1 0 377.290 2.128 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1)C(C)C ZINC000903813118 654284289 /nfs/dbraw/zinc/28/42/89/654284289.db2.gz LIKLPEUEWNZOKC-UHFFFAOYSA-N 1 0 388.281 2.003 20 0 GEADRO O=C(CN1CC[NH2+]CCC12CCOCC2)Nc1ccccc1Br ZINC000903816159 654284326 /nfs/dbraw/zinc/28/43/26/654284326.db2.gz SKZMKSNJKJZFQR-UHFFFAOYSA-N 1 0 382.302 2.232 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)Nc1ccccc1I)C2 ZINC000903850430 654287515 /nfs/dbraw/zinc/28/75/15/654287515.db2.gz QSDXKJHRORIMDO-TUAOUCFPSA-N 1 0 385.249 2.041 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000853234372 654288157 /nfs/dbraw/zinc/28/81/57/654288157.db2.gz DQFPMWQJZVKLQL-XELLLNAOSA-N 1 0 397.488 2.495 20 0 GEADRO O=C(CCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)Nc1ccc(Br)cc1 ZINC000891405681 654291923 /nfs/dbraw/zinc/29/19/23/654291923.db2.gz YUURUHSONXMBDQ-WMLDXEAASA-N 1 0 395.301 2.362 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000891411330 654292235 /nfs/dbraw/zinc/29/22/35/654292235.db2.gz GQCAQJHWYYMPOT-UHFFFAOYSA-N 1 0 375.922 2.274 20 0 GEADRO Brc1cccc2c1CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CCO2 ZINC000903933132 654292456 /nfs/dbraw/zinc/29/24/56/654292456.db2.gz YRIJQDSDTWBHBB-ZDUSSCGKSA-N 1 0 392.301 2.360 20 0 GEADRO Brc1cc2c(cc1CN[C@H]1C[NH2+]CC3(CCOCC3)C1)OCO2 ZINC000903974580 654293776 /nfs/dbraw/zinc/29/37/76/654293776.db2.gz QZHVLPYKRXNPQS-CYBMUJFWSA-N 1 0 383.286 2.426 20 0 GEADRO CCN(C(=O)NCc1cc(Br)c(OC)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000891466466 654295007 /nfs/dbraw/zinc/29/50/07/654295007.db2.gz WKRQCZWODFNOAF-LBPRGKRZSA-N 1 0 386.290 2.360 20 0 GEADRO CCO[C@H](CNS(=O)(=O)Cc1cc(Cl)sc1Cl)C[NH+](C)C ZINC000921636130 654296846 /nfs/dbraw/zinc/29/68/46/654296846.db2.gz NVCWPBDUSAZPKB-SNVBAGLBSA-N 1 0 375.343 2.441 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000891494855 654297608 /nfs/dbraw/zinc/29/76/08/654297608.db2.gz ROPYAJZRAXDMHG-TXEJJXNPSA-N 1 0 384.274 2.112 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000832824204 654299066 /nfs/dbraw/zinc/29/90/66/654299066.db2.gz CVEHQCDAXZQOSW-UHFFFAOYSA-N 1 0 392.301 2.492 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000891527798 654299144 /nfs/dbraw/zinc/29/91/44/654299144.db2.gz ZEBHGMUEAOUDMY-SWLSCSKDSA-N 1 0 395.301 2.042 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000891527797 654299172 /nfs/dbraw/zinc/29/91/72/654299172.db2.gz ZEBHGMUEAOUDMY-IUODEOHRSA-N 1 0 395.301 2.042 20 0 GEADRO CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CCC([NH3+])CC1 ZINC000832832548 654299458 /nfs/dbraw/zinc/29/94/58/654299458.db2.gz HXPHOOSJQVEZLJ-UHFFFAOYSA-N 1 0 382.258 2.122 20 0 GEADRO C[C@H]1CN(C(=O)c2cccnc2I)CC[N@@H+](C2CC2)C1 ZINC000832950327 654300972 /nfs/dbraw/zinc/30/09/72/654300972.db2.gz XUMSIKFNIHDWFQ-LLVKDONJSA-N 1 0 385.249 2.243 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)C[C@@H]1C(F)(F)F ZINC000891588856 654302023 /nfs/dbraw/zinc/30/20/23/654302023.db2.gz IOURHJOSVOUBIS-RQJHMYQMSA-N 1 0 376.326 2.441 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)C1 ZINC000891595173 654302048 /nfs/dbraw/zinc/30/20/48/654302048.db2.gz XZRAYBOWMXETST-HOTGVXAUSA-N 1 0 387.933 2.166 20 0 GEADRO CCSc1ccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@@H]34)n2)cc1 ZINC000904112345 654302599 /nfs/dbraw/zinc/30/25/99/654302599.db2.gz DMAAXZGQLQPTLI-VHDGCEQUSA-N 1 0 379.507 2.024 20 0 GEADRO Cn1nc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1Br ZINC000833057240 654302871 /nfs/dbraw/zinc/30/28/71/654302871.db2.gz YSOOYVHARUCHJP-ZDUSSCGKSA-N 1 0 379.258 2.002 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cnc(Br)cn2)[C@@H]1c1ccccc1 ZINC000921679375 654303591 /nfs/dbraw/zinc/30/35/91/654303591.db2.gz WFFJXGHGZHPHGD-ZBFHGGJFSA-N 1 0 390.285 2.484 20 0 GEADRO O=C(N1CCC[C@@H](C2CC[NH+](CN3CCOC3=S)CC2)C1)C(F)(F)F ZINC000853572939 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C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892091573 654327991 /nfs/dbraw/zinc/32/79/91/654327991.db2.gz GMSQZZJXEKQONV-DIOULYMOSA-N 1 0 390.311 2.373 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CCC1)C[C@]1(O)CCOC1 ZINC000905063187 654329070 /nfs/dbraw/zinc/32/90/70/654329070.db2.gz UZIKXRQAMMAGLQ-SJLPKXTDSA-N 1 0 384.314 2.363 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000804975612 654330028 /nfs/dbraw/zinc/33/00/28/654330028.db2.gz QPBPEKYKKNQIRH-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905088738 654330422 /nfs/dbraw/zinc/33/04/22/654330422.db2.gz KOZFSKAZMGLLQT-HNNXBMFYSA-N 1 0 385.302 2.342 20 0 GEADRO Cc1nc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(Br)n1C ZINC000804988643 654331455 /nfs/dbraw/zinc/33/14/55/654331455.db2.gz GGFBFEFRAJCKMV-QWRGUYRKSA-N 1 0 393.351 2.032 20 0 GEADRO COC[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000892156973 654331549 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O[C@@H](C[NH2+]CCc1cc(Cl)ccc1Br)C[C@]1(O)CCOC1 ZINC000905176612 654336449 /nfs/dbraw/zinc/33/64/49/654336449.db2.gz MLYQKJOUPRDIRK-UKRRQHHQSA-N 1 0 378.694 2.137 20 0 GEADRO CC1([NH3+])CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000834594389 654337195 /nfs/dbraw/zinc/33/71/95/654337195.db2.gz SMSXXBIXVNWRRO-UHFFFAOYSA-N 1 0 378.523 2.268 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1COc2cccc(Br)c2C1 ZINC000892268444 654337929 /nfs/dbraw/zinc/33/79/29/654337929.db2.gz WARAKTBYTNUQNT-NHYWBVRUSA-N 1 0 380.286 2.194 20 0 GEADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872448128 654338971 /nfs/dbraw/zinc/33/89/71/654338971.db2.gz KNPCQCNFNUYWTD-ZDUSSCGKSA-N 1 0 385.917 2.330 20 0 GEADRO O=S(=O)(c1cccc(Br)n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000872451724 654339895 /nfs/dbraw/zinc/33/98/95/654339895.db2.gz OZLPQCVPQVYDRN-CYBMUJFWSA-N 1 0 388.331 2.483 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000834635525 654340088 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CS(=O)(=O)C1CC([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000892952498 654372177 /nfs/dbraw/zinc/37/21/77/654372177.db2.gz YLBWATJNUIBKAD-QQFBHYJXSA-N 1 0 376.444 2.445 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cnc3n2CCOC3)cc1Br ZINC000922162511 654372698 /nfs/dbraw/zinc/37/26/98/654372698.db2.gz NVPJDWLYLBYBCA-HNNXBMFYSA-N 1 0 394.313 2.425 20 0 GEADRO Cc1ccc(/C=C\C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c(Br)c1 ZINC000854643754 654372670 /nfs/dbraw/zinc/37/26/70/654372670.db2.gz XJDWWVYNKXZJPI-WAYWQWQTSA-N 1 0 392.341 2.477 20 0 GEADRO OC[C@H](C[NH2+]Cc1cnc2n1CCOC2)Cc1cc(Br)ccc1F ZINC000922162814 654372738 /nfs/dbraw/zinc/37/27/38/654372738.db2.gz VKEVDBQBWBRNPY-LBPRGKRZSA-N 1 0 398.276 2.256 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922167988 654373273 /nfs/dbraw/zinc/37/32/73/654373273.db2.gz GDSCHEGAYDPYBU-CYBMUJFWSA-N 1 0 381.270 2.499 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000922167751 654373287 /nfs/dbraw/zinc/37/32/87/654373287.db2.gz YEXBQEVUOFXCBO-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO Cc1cc(C[NH2+][C@H](CO)c2ccnn2C)c(C)cc1I ZINC000922176237 654374183 /nfs/dbraw/zinc/37/41/83/654374183.db2.gz AXPJWAIPVHBLPJ-CQSZACIVSA-N 1 0 385.249 2.465 20 0 GEADRO C[C@H]1CN(C(=O)c2csc(I)n2)CC[N@@H+](C2CC2)C1 ZINC000854676792 654374490 /nfs/dbraw/zinc/37/44/90/654374490.db2.gz BZSWYFBYNJRMEP-SECBINFHSA-N 1 0 391.278 2.304 20 0 GEADRO C[C@@](CO)(NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000893018997 654376154 /nfs/dbraw/zinc/37/61/54/654376154.db2.gz PDVRCEMUUOAVFX-PBHICJAKSA-N 1 0 382.302 2.193 20 0 GEADRO CCn1c(C[NH2+]CC[C@]2(O)CCOC2)nc(Br)c1Br ZINC000922217197 654376337 /nfs/dbraw/zinc/37/63/37/654376337.db2.gz GTAQNOUTEKCPAA-LBPRGKRZSA-N 1 0 397.111 2.059 20 0 GEADRO CCc1[nH]nc(Cl)c1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000922237092 654377726 /nfs/dbraw/zinc/37/77/26/654377726.db2.gz HSCGRUBISXSOOX-UHFFFAOYSA-N 1 0 386.681 2.303 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835291898 654378356 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COc1ccc(Br)c(Cn2cc(CN3CCC([NH3+])CC3)nn2)c1 ZINC000905801605 654380820 /nfs/dbraw/zinc/38/08/20/654380820.db2.gz JOMVYNJZJYVMIA-UHFFFAOYSA-N 1 0 380.290 2.021 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2ncc(Br)cn2)(C(F)(F)F)CC1 ZINC000905824925 654382076 /nfs/dbraw/zinc/38/20/76/654382076.db2.gz KQMKNSMKXUBWIJ-UHFFFAOYSA-N 1 0 381.196 2.386 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835353920 654382807 /nfs/dbraw/zinc/38/28/07/654382807.db2.gz QDPPPNATKGVWOC-LBPRGKRZSA-N 1 0 385.306 2.328 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)nc1Br ZINC000835370917 654384754 /nfs/dbraw/zinc/38/47/54/654384754.db2.gz BKCHNHPNAFKQLW-NSHDSACASA-N 1 0 395.301 2.034 20 0 GEADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000905854094 654384964 /nfs/dbraw/zinc/38/49/64/654384964.db2.gz CIIFQAYISFEIAY-GXFFZTMASA-N 1 0 384.274 2.485 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000872664134 654387211 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GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000893283467 654395347 /nfs/dbraw/zinc/39/53/47/654395347.db2.gz LNNSFMYWKIOYAR-GOEBONIOSA-N 1 0 398.301 2.133 20 0 GEADRO CN1C[C@@H](CC[NH2+]Cc2cccc(F)c2I)CC1=O ZINC000922485305 654396681 /nfs/dbraw/zinc/39/66/81/654396681.db2.gz XUWVFDIFRZEVGF-JTQLQIEISA-N 1 0 376.213 2.388 20 0 GEADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000922489490 654396887 /nfs/dbraw/zinc/39/68/87/654396887.db2.gz IXRNRYZXKFCYDQ-UHFFFAOYSA-N 1 0 381.932 2.097 20 0 GEADRO COC(=O)c1sccc1C[NH2+]CC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000893333933 654397446 /nfs/dbraw/zinc/39/74/46/654397446.db2.gz VJSSODIRTGYHKK-CQSZACIVSA-N 1 0 377.388 2.198 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000872808853 654397862 /nfs/dbraw/zinc/39/78/62/654397862.db2.gz DJRIEOJVTYYWNS-UHFFFAOYSA-N 1 0 396.329 2.007 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN([S@@](C)(=N)=O)CC1)c1ccsc1 ZINC000872826547 654398950 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CCOC(=O)c1ncc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)s1 ZINC000893548309 654407502 /nfs/dbraw/zinc/40/75/02/654407502.db2.gz DVUYNEKCWPWQIG-LBPRGKRZSA-N 1 0 381.885 2.407 20 0 GEADRO Cc1ccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)c(Br)c1 ZINC000893551713 654407981 /nfs/dbraw/zinc/40/79/81/654407981.db2.gz XNLYCRPIWKKPDN-UHFFFAOYSA-N 1 0 394.317 2.244 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)ccc1Cl ZINC000922707476 654408663 /nfs/dbraw/zinc/40/86/63/654408663.db2.gz CIAXMONQYJGENA-LLVKDONJSA-N 1 0 385.839 2.104 20 0 GEADRO Fc1ccc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(I)c1 ZINC000922727145 654410135 /nfs/dbraw/zinc/41/01/35/654410135.db2.gz ZUXGMQPPPPXGGP-QKCSRTOESA-N 1 0 377.197 2.324 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+]C3CCS(=O)CC3)C2=O)ccc1Br ZINC000893620902 654411516 /nfs/dbraw/zinc/41/15/16/654411516.db2.gz GTLYYAGLXMRION-VVICNBCKSA-N 1 0 385.327 2.364 20 0 GEADRO CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000922784102 654413183 /nfs/dbraw/zinc/41/31/83/654413183.db2.gz FKOGFVNQEVNYJC-OAHLLOKOSA-N 1 0 389.294 2.288 20 0 GEADRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cccc(F)c1I ZINC000873079714 654413403 /nfs/dbraw/zinc/41/34/03/654413403.db2.gz YZWOMRXEWIONDM-SECBINFHSA-N 1 0 385.242 2.343 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000922789267 654413575 /nfs/dbraw/zinc/41/35/75/654413575.db2.gz IDXMJWIHBUHWBC-XYYAHUGASA-N 1 0 385.306 2.385 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(Br)ncc1Cl ZINC000855346620 654414677 /nfs/dbraw/zinc/41/46/77/654414677.db2.gz GZWTUOWTILWLHE-NSHDSACASA-N 1 0 391.741 2.499 20 0 GEADRO O=S1(=O)CCC(C[NH2+]Cc2cccc(F)c2I)CC1 ZINC000873098816 654414903 /nfs/dbraw/zinc/41/49/03/654414903.db2.gz VIASQKDJUPLFSW-UHFFFAOYSA-N 1 0 397.253 2.345 20 0 GEADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1I ZINC000873100115 654414965 /nfs/dbraw/zinc/41/49/65/654414965.db2.gz XHZULWSROXKHQB-JQWIXIFHSA-N 1 0 376.213 2.435 20 0 GEADRO CCN(C(=O)c1cccn2c(I)cnc12)[C@H]1CC[N@H+](C)C1 ZINC000855361024 654415125 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CS(=O)(=O)N1CC(C[NH2+]Cc2c(Br)ccc(Cl)c2F)C1 ZINC000893717782 654417711 /nfs/dbraw/zinc/41/77/11/654417711.db2.gz VFSZXLXNWTUUMH-UHFFFAOYSA-N 1 0 385.686 2.223 20 0 GEADRO OC[C@H]([NH2+]Cc1cccc(F)c1I)[C@H]1CCCOC1 ZINC000873132363 654418014 /nfs/dbraw/zinc/41/80/14/654418014.db2.gz QFWCANWKRMGWAK-AAEUAGOBSA-N 1 0 379.213 2.307 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922882503 654418034 /nfs/dbraw/zinc/41/80/34/654418034.db2.gz SITCBUHDAFDAMJ-UHFFFAOYSA-N 1 0 398.301 2.231 20 0 GEADRO C[C@H](CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[NH+](C)C ZINC000855413815 654417998 /nfs/dbraw/zinc/41/79/98/654417998.db2.gz RBYRTSXDZAGTIF-CYBMUJFWSA-N 1 0 387.933 2.195 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000855414225 654418180 /nfs/dbraw/zinc/41/81/80/654418180.db2.gz XKQJWSHQXVDJKR-CYBMUJFWSA-N 1 0 389.949 2.441 20 0 GEADRO COCC(C)(C)CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000873152734 654418709 /nfs/dbraw/zinc/41/87/09/654418709.db2.gz HURULZUYNBKFSO-UHFFFAOYSA-N 1 0 379.320 2.249 20 0 GEADRO Cn1cc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c(I)n1 ZINC000922896368 654418789 /nfs/dbraw/zinc/41/87/89/654418789.db2.gz MYAYOMCOSDRTBS-WCQYABFASA-N 1 0 375.254 2.320 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000873155347 654419335 /nfs/dbraw/zinc/41/93/35/654419335.db2.gz IWNHVIZFVIKUBD-OLZOCXBDSA-N 1 0 375.922 2.109 20 0 GEADRO CCN(C(=O)c1csc(I)n1)[C@H]1CC[N@H+](CC)C1 ZINC000855485437 654421668 /nfs/dbraw/zinc/42/16/68/654421668.db2.gz CHWFHIJXTCNWLD-VIFPVBQESA-N 1 0 379.267 2.304 20 0 GEADRO CN(C(=O)[C@]1(C)CC1(Br)Br)c1cc(C[NH3+])ccn1 ZINC000906227521 654422375 /nfs/dbraw/zinc/42/23/75/654422375.db2.gz NEXKUFSALXAAFC-NSHDSACASA-N 1 0 377.080 2.399 20 0 GEADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn(C)nc2Br)cc1OC ZINC000873193050 654422383 /nfs/dbraw/zinc/42/23/83/654422383.db2.gz MRHXGTHZVLYTRA-KRWDZBQOSA-N 1 0 398.301 2.283 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](O)c1ccnn1C ZINC000922971367 654422507 /nfs/dbraw/zinc/42/25/07/654422507.db2.gz XNDIJVBOTKDSFL-QGZVFWFLSA-N 1 0 390.285 2.500 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]C[C@H](O)c2ccnn2C)cc1OC ZINC000922976441 654422882 /nfs/dbraw/zinc/42/28/82/654422882.db2.gz KYUJEDWKTINYJP-AWEZNQCLSA-N 1 0 384.274 2.413 20 0 GEADRO CNC(=O)c1ccc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000873302592 654423926 /nfs/dbraw/zinc/42/39/26/654423926.db2.gz FBLQKSMFXNMPQD-GZMMTYOYSA-N 1 0 378.782 2.301 20 0 GEADRO Cn1nc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)cc1Br ZINC000855530164 654424033 /nfs/dbraw/zinc/42/40/33/654424033.db2.gz ZSQMHNYZHIAIPI-UHFFFAOYSA-N 1 0 392.301 2.220 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000923007223 654424301 /nfs/dbraw/zinc/42/43/01/654424301.db2.gz PIJBYKJTXLGXCZ-AKAXFMLLSA-N 1 0 397.260 2.207 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873318139 654424316 /nfs/dbraw/zinc/42/43/16/654424316.db2.gz IRRKRWCTWOMXCI-CJNGLKHVSA-N 1 0 391.273 2.436 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873315132 654424332 /nfs/dbraw/zinc/42/43/32/654424332.db2.gz NJGJCROUCGWRBN-LBPRGKRZSA-N 1 0 383.290 2.433 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873318141 654424498 /nfs/dbraw/zinc/42/44/98/654424498.db2.gz IRRKRWCTWOMXCI-XJKSGUPXSA-N 1 0 391.273 2.436 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873322785 654424712 /nfs/dbraw/zinc/42/47/12/654424712.db2.gz KUDYFUWOBRKZLN-WBMJQRKESA-N 1 0 391.273 2.436 20 0 GEADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC[NH+](CC2CC2)CC1 ZINC000906334684 654427948 /nfs/dbraw/zinc/42/79/48/654427948.db2.gz SVIDULDIYVWCIK-UHFFFAOYSA-N 1 0 380.286 2.114 20 0 GEADRO Cc1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)nnn1-c1ccccc1Br ZINC000906337721 654428007 /nfs/dbraw/zinc/42/80/07/654428007.db2.gz FLOJOLVFOJKCTI-HNNXBMFYSA-N 1 0 392.301 2.408 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000893870649 654428337 /nfs/dbraw/zinc/42/83/37/654428337.db2.gz BRQABUBVMBCISH-CQSZACIVSA-N 1 0 383.290 2.171 20 0 GEADRO COC(=O)CC1([NH2+]Cc2ccc(C(F)F)c(F)c2)CCS(=O)(=O)CC1 ZINC000893901545 654429816 /nfs/dbraw/zinc/42/98/16/654429816.db2.gz JMSVNQBBLXOFBU-UHFFFAOYSA-N 1 0 379.400 2.363 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000923191432 654430988 /nfs/dbraw/zinc/43/09/88/654430988.db2.gz XNDNYZBXGAGTCU-ZDUSSCGKSA-N 1 0 384.322 2.307 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000906373756 654431910 /nfs/dbraw/zinc/43/19/10/654431910.db2.gz BCDMQSFYZDYTQK-RYUDHWBXSA-N 1 0 375.357 2.069 20 0 GEADRO Cn1cc(CN2CCC(C[NH+]3CCCC3)CC2)c(I)n1 ZINC000893940184 654432574 /nfs/dbraw/zinc/43/25/74/654432574.db2.gz KUESKCBCCGMGEW-UHFFFAOYSA-N 1 0 388.297 2.333 20 0 GEADRO CC[NH+]1CCC(CNC(=O)c2nscc2I)CC1 ZINC000906393044 654433994 /nfs/dbraw/zinc/43/39/94/654433994.db2.gz CCHBAWQPSLAXJW-UHFFFAOYSA-N 1 0 379.267 2.209 20 0 GEADRO COC(=O)c1csc(-c2cccc(C[NH2+]C3CC(S(C)(=O)=O)C3)c2)n1 ZINC000893989496 654436341 /nfs/dbraw/zinc/43/63/41/654436341.db2.gz XIZUBENPOVOGAU-UHFFFAOYSA-N 1 0 380.491 2.262 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000923265769 654440767 /nfs/dbraw/zinc/44/07/67/654440767.db2.gz LXTWMAHNFIHPKA-UONOGXRCSA-N 1 0 390.285 2.339 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cccn3ncc(Br)c23)cn1 ZINC000906483707 654442742 /nfs/dbraw/zinc/44/27/42/654442742.db2.gz ODRJLRKYFRCURJ-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO O=S(=O)(c1ccc(Cl)s1)N1CCCN(CCC[NH2+]C2CC2)CC1 ZINC000923313120 654443087 /nfs/dbraw/zinc/44/30/87/654443087.db2.gz UTVJRDTVYKBFTB-UHFFFAOYSA-N 1 0 377.963 2.240 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c(I)n1 ZINC000894086956 654445447 /nfs/dbraw/zinc/44/54/47/654445447.db2.gz PBTNRKVWQWDHSY-GFCCVEGCSA-N 1 0 375.254 2.273 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873664119 654445517 /nfs/dbraw/zinc/44/55/17/654445517.db2.gz QOYFITXEHDLCHK-UHFFFAOYSA-N 1 0 398.301 2.169 20 0 GEADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000923357625 654446318 /nfs/dbraw/zinc/44/63/18/654446318.db2.gz ZBEXSPPNXSMCFM-ZFWWWQNUSA-N 1 0 385.295 2.113 20 0 GEADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2sc(N3CCOCC3)nc2Cl)CN1 ZINC000894094766 654446506 /nfs/dbraw/zinc/44/65/06/654446506.db2.gz NEXUXMNEUZMYKK-OLZOCXBDSA-N 1 0 384.933 2.124 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCC[C@@H]1CC1(Cl)Cl)C2 ZINC000923369212 654446978 /nfs/dbraw/zinc/44/69/78/654446978.db2.gz ITHWHJCHCLTNFZ-AQDIXCGQSA-N 1 0 378.344 2.349 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCC[C@H]1CC1(Cl)Cl)C2 ZINC000923369214 654447446 /nfs/dbraw/zinc/44/74/46/654447446.db2.gz ITHWHJCHCLTNFZ-SQCNAZHOSA-N 1 0 378.344 2.349 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000873683893 654448268 /nfs/dbraw/zinc/44/82/68/654448268.db2.gz LNAPJISLTPRBAO-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1nscc1I ZINC000906568402 654449419 /nfs/dbraw/zinc/44/94/19/654449419.db2.gz ZJWLYDHPFIZZLQ-SECBINFHSA-N 1 0 379.267 2.304 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906569197 654449437 /nfs/dbraw/zinc/44/94/37/654449437.db2.gz NKKUZOORAHUFCT-UHFFFAOYSA-N 1 0 382.302 2.360 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000873692679 654449581 /nfs/dbraw/zinc/44/95/81/654449581.db2.gz SJGJAQKYRMPDMH-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1c(I)cnn1C ZINC000894139548 654449782 /nfs/dbraw/zinc/44/97/82/654449782.db2.gz FSXQWZCCBALBOR-IINYFYTJSA-N 1 0 391.253 2.236 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNCc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894141875 654450014 /nfs/dbraw/zinc/45/00/14/654450014.db2.gz WLTALCOZUNQRBG-CQSZACIVSA-N 1 0 388.965 2.080 20 0 GEADRO Cn1cc(CNC[C@H](Cc2ccccc2)[NH+](C)C)c(I)n1 ZINC000894150191 654450054 /nfs/dbraw/zinc/45/00/54/654450054.db2.gz VYBBAPYSSNESKJ-HNNXBMFYSA-N 1 0 398.292 2.287 20 0 GEADRO OCC[NH2+][C@H]1CCCN(Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000923406251 654450824 /nfs/dbraw/zinc/45/08/24/654450824.db2.gz DOOGBZQFNAFSIH-NSHDSACASA-N 1 0 387.303 2.107 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000894154146 654451066 /nfs/dbraw/zinc/45/10/66/654451066.db2.gz SVGQBCINLWMMHR-CYBMUJFWSA-N 1 0 375.922 2.308 20 0 GEADRO CC(C)[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)N1CCOCC1 ZINC000894162165 654451627 /nfs/dbraw/zinc/45/16/27/654451627.db2.gz ZPXIDTUZMVGPBZ-AWEZNQCLSA-N 1 0 388.965 2.080 20 0 GEADRO Cc1cc(Br)c(CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000906603667 654453053 /nfs/dbraw/zinc/45/30/53/654453053.db2.gz YDGYGCHDDRPURA-KBPBESRZSA-N 1 0 387.343 2.419 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873717136 654453149 /nfs/dbraw/zinc/45/31/49/654453149.db2.gz YMAURTUISGFDSU-UHFFFAOYSA-N 1 0 398.301 2.027 20 0 GEADRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923435670 654453247 /nfs/dbraw/zinc/45/32/47/654453247.db2.gz JZHIVBMQOIUSPT-JUFZMCDQSA-N 1 0 375.282 2.399 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923435672 654453286 /nfs/dbraw/zinc/45/32/86/654453286.db2.gz JZHIVBMQOIUSPT-UUIJZJDISA-N 1 0 375.282 2.399 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)NCC[C@H]1CNC(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000923448871 654453726 /nfs/dbraw/zinc/45/37/26/654453726.db2.gz HPNSOFSJDCOLRW-IAQYHMDHSA-N 1 0 387.311 2.422 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1cnc2ccccc2c1Br)C1CC1 ZINC000873717705 654453738 /nfs/dbraw/zinc/45/37/38/654453738.db2.gz DCOBLWQIANWQSF-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906621284 654454284 /nfs/dbraw/zinc/45/42/84/654454284.db2.gz BTCPOYNZPAIEEH-GFCCVEGCSA-N 1 0 378.274 2.101 20 0 GEADRO CCc1ccc(Br)c(NC(=O)C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000873721719 654454643 /nfs/dbraw/zinc/45/46/43/654454643.db2.gz FNDTYOZFAYUICL-UHFFFAOYSA-N 1 0 382.302 2.408 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCNCC[NH2+]CC1 ZINC000923466792 654454749 /nfs/dbraw/zinc/45/47/49/654454749.db2.gz XWURTUPSHGZDDP-NSHDSACASA-N 1 0 378.826 2.181 20 0 GEADRO COc1cccc(N2CC[C@H](C[NH2+]Cc3nc(Br)nn3C)C2)c1 ZINC000894217129 654456713 /nfs/dbraw/zinc/45/67/13/654456713.db2.gz ZRAZXVGGDXMUSE-GFCCVEGCSA-N 1 0 380.290 2.202 20 0 GEADRO CN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000906654689 654456827 /nfs/dbraw/zinc/45/68/27/654456827.db2.gz MFASLULYCZHRDH-AWEZNQCLSA-N 1 0 380.286 2.254 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2OC)C1 ZINC000873739637 654456788 /nfs/dbraw/zinc/45/67/88/654456788.db2.gz KIOYJZBDNLTWTC-LBPRGKRZSA-N 1 0 398.301 2.196 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(F)c(C(F)F)c2)CCSC1 ZINC000873745626 654457694 /nfs/dbraw/zinc/45/76/94/654457694.db2.gz KSOOSYSBRNGZEL-INIZCTEOSA-N 1 0 375.416 2.255 20 0 GEADRO Cn1nc(Br)nc1CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000894226492 654457793 /nfs/dbraw/zinc/45/77/93/654457793.db2.gz QNXZVXDIPAWIHF-OAHLLOKOSA-N 1 0 378.318 2.232 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000873749244 654458081 /nfs/dbraw/zinc/45/80/81/654458081.db2.gz JKSSRACCXAKJJS-ZDUSSCGKSA-N 1 0 396.285 2.143 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000894241215 654458206 /nfs/dbraw/zinc/45/82/06/654458206.db2.gz WBAZZNZHHTUBQO-NSHDSACASA-N 1 0 388.310 2.314 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518369 654459059 /nfs/dbraw/zinc/45/90/59/654459059.db2.gz LCIWYKRVFILSBA-FRRDWIJNSA-N 1 0 399.276 2.160 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000873754404 654459068 /nfs/dbraw/zinc/45/90/68/654459068.db2.gz JSWKCESKKDBHNW-OLZOCXBDSA-N 1 0 398.301 2.385 20 0 GEADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000906689886 654460635 /nfs/dbraw/zinc/46/06/35/654460635.db2.gz VLQUTBZGLNYPNM-UHFFFAOYSA-N 1 0 378.420 2.324 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)c1 ZINC000906689898 654460661 /nfs/dbraw/zinc/46/06/61/654460661.db2.gz VPSDXTBDKJUDJD-UHFFFAOYSA-N 1 0 397.317 2.315 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906691260 654461191 /nfs/dbraw/zinc/46/11/91/654461191.db2.gz DMPKDXCKCSSMEN-GFCCVEGCSA-N 1 0 378.274 2.054 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000906699739 654462026 /nfs/dbraw/zinc/46/20/26/654462026.db2.gz FFMWMEUIHFZYRR-GFCCVEGCSA-N 1 0 388.693 2.464 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000894287730 654462726 /nfs/dbraw/zinc/46/27/26/654462726.db2.gz LCFZWFMTMBUSHJ-UHFFFAOYSA-N 1 0 392.301 2.220 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000906704304 654462976 /nfs/dbraw/zinc/46/29/76/654462976.db2.gz GAHHVVGCDLJVBJ-AWEZNQCLSA-N 1 0 398.301 2.289 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000906705100 654463011 /nfs/dbraw/zinc/46/30/11/654463011.db2.gz COPHDBJBNSYIEZ-GFCCVEGCSA-N 1 0 375.416 2.394 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906715148 654463920 /nfs/dbraw/zinc/46/39/20/654463920.db2.gz IRGMJKFJAGABEC-UHFFFAOYSA-N 1 0 384.249 2.175 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)ccc1Br ZINC000906717090 654464220 /nfs/dbraw/zinc/46/42/20/654464220.db2.gz OCFHEIOYNYIZOK-UHFFFAOYSA-N 1 0 380.286 2.344 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1cnc(Br)cn1 ZINC000923539744 654465010 /nfs/dbraw/zinc/46/50/10/654465010.db2.gz CULFQKYDJAQBBF-UHFFFAOYSA-N 1 0 396.289 2.496 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906727510 654465122 /nfs/dbraw/zinc/46/51/22/654465122.db2.gz CTYWHJACNDPDIE-ADEWGFFLSA-N 1 0 386.677 2.359 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(Cl)c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906727388 654465153 /nfs/dbraw/zinc/46/51/53/654465153.db2.gz MTUFKOIBLSLQHG-LIEZGIJOSA-N 1 0 390.640 2.189 20 0 GEADRO CN(C)[C@]1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCSC1 ZINC000894324588 654465217 /nfs/dbraw/zinc/46/52/17/654465217.db2.gz JDZFNSBLTINUOP-HNNXBMFYSA-N 1 0 376.979 2.160 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000906742304 654466815 /nfs/dbraw/zinc/46/68/15/654466815.db2.gz UFPNFJOKVUONLP-LJGSYFOKSA-N 1 0 378.629 2.034 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000906749578 654467698 /nfs/dbraw/zinc/46/76/98/654467698.db2.gz XXKIUSQIXMRYFQ-JTQLQIEISA-N 1 0 375.803 2.053 20 0 GEADRO Cn1cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c(I)n1 ZINC000894351236 654467980 /nfs/dbraw/zinc/46/79/80/654467980.db2.gz AIAXJABHZTWTKX-GFCCVEGCSA-N 1 0 399.232 2.344 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)c(Br)c1 ZINC000906764556 654469145 /nfs/dbraw/zinc/46/91/45/654469145.db2.gz DOYQLTPFMYQNJZ-QGZVFWFLSA-N 1 0 380.286 2.359 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cnc3onc(C)c3c2)c(C)s1 ZINC000894360091 654469391 /nfs/dbraw/zinc/46/93/91/654469391.db2.gz VNSSRRWJERQJJG-UHFFFAOYSA-N 1 0 380.495 2.278 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764720 654469701 /nfs/dbraw/zinc/46/97/01/654469701.db2.gz HEEVBLMVWATYTM-QGZVFWFLSA-N 1 0 396.285 2.059 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000873834843 654470535 /nfs/dbraw/zinc/47/05/35/654470535.db2.gz IBCTZHGAOYBRAH-UHFFFAOYSA-N 1 0 396.285 2.143 20 0 GEADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cn(C)nc1I ZINC000894373565 654470631 /nfs/dbraw/zinc/47/06/31/654470631.db2.gz VLMPRMCWZRMMAS-UHFFFAOYSA-N 1 0 387.269 2.097 20 0 GEADRO Cn1ncc(I)c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000894375025 654470825 /nfs/dbraw/zinc/47/08/25/654470825.db2.gz LWNAKVKKYKIOKP-ZDUSSCGKSA-N 1 0 375.254 2.416 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc1Br ZINC000906781679 654471392 /nfs/dbraw/zinc/47/13/92/654471392.db2.gz INIAOHRZJIZSSY-GTNSWQLSSA-N 1 0 396.285 2.045 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873842944 654471863 /nfs/dbraw/zinc/47/18/63/654471863.db2.gz 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O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCCCCN1CC[NH2+]CC1 ZINC000923682056 654475836 /nfs/dbraw/zinc/47/58/36/654475836.db2.gz WLUPTEHUEDGOIY-UHFFFAOYSA-N 1 0 394.368 2.488 20 0 GEADRO O=C(NCc1cnc(Cl)s1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000923683456 654476310 /nfs/dbraw/zinc/47/63/10/654476310.db2.gz JRSRMVZCVALZJZ-CQSZACIVSA-N 1 0 380.901 2.015 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)Cc1ccc(Cl)c(F)c1)CC2 ZINC000923688902 654477266 /nfs/dbraw/zinc/47/72/66/654477266.db2.gz SWKFHKZTOIPULM-CYBMUJFWSA-N 1 0 376.881 2.139 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923687660 654477312 /nfs/dbraw/zinc/47/73/12/654477312.db2.gz NSXBWLVOFNPOPW-HNNXBMFYSA-N 1 0 388.917 2.005 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(C(=O)NCc3cnc(Cl)s3)CC2)CC1 ZINC000923689897 654477675 /nfs/dbraw/zinc/47/76/75/654477675.db2.gz WYNYDDYEWFFWOF-UHFFFAOYSA-N 1 0 385.965 2.356 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CC[C@H]1C[NH3+] ZINC000923699164 654478702 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/nfs/dbraw/zinc/49/98/25/654499825.db2.gz GNTJDGSSCIKZIM-NSHDSACASA-N 1 0 376.448 2.100 20 0 GEADRO C[NH+](C)CC1(O)CCN(c2ncnc(C(F)(F)F)c2Br)CC1 ZINC000894954150 654507854 /nfs/dbraw/zinc/50/78/54/654507854.db2.gz KHBUXCZEKOQEDO-UHFFFAOYSA-N 1 0 383.212 2.151 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)NCc2cn(C)nc2Br)CC1 ZINC000924550177 654516992 /nfs/dbraw/zinc/51/69/92/654516992.db2.gz QANHAKITIFRQRY-UHFFFAOYSA-N 1 0 386.338 2.446 20 0 GEADRO Cn1cc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(Br)n1 ZINC000924553624 654517291 /nfs/dbraw/zinc/51/72/91/654517291.db2.gz HUUOOSRSWHMMEU-AWEZNQCLSA-N 1 0 384.322 2.343 20 0 GEADRO Cn1cc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(Br)n1 ZINC000924557367 654517818 /nfs/dbraw/zinc/51/78/18/654517818.db2.gz UMJQNXDIESLRNC-CQSZACIVSA-N 1 0 384.322 2.343 20 0 GEADRO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1Cc1ccc(O)c(Br)c1 ZINC000924808917 654525382 /nfs/dbraw/zinc/52/53/82/654525382.db2.gz CXNURBMDNADPIY-CYBMUJFWSA-N 1 0 382.258 2.061 20 0 GEADRO C[C@@H](c1ccc(Br)cn1)N1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000924866136 654526852 /nfs/dbraw/zinc/52/68/52/654526852.db2.gz ROZQZNIUTNMOSS-SMDDNHRTSA-N 1 0 381.274 2.311 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)c2ncnn21 ZINC000924891928 654528220 /nfs/dbraw/zinc/52/82/20/654528220.db2.gz SJQIODAKIDWJMM-BXUZGUMPSA-N 1 0 378.274 2.456 20 0 GEADRO CCOc1ccc([C@]2(C(=O)NC[C@H]3C[C@@H](O)C[N@@H+]3C)CC2(Cl)Cl)cc1 ZINC000924991968 654530975 /nfs/dbraw/zinc/53/09/75/654530975.db2.gz NZSJYINANNEGCK-CPUCHLNUSA-N 1 0 387.307 2.082 20 0 GEADRO COC(=O)CCCS(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907343241 654533580 /nfs/dbraw/zinc/53/35/80/654533580.db2.gz AGMZLCCRKUZPTP-OAHLLOKOSA-N 1 0 388.555 2.093 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CN1C(=O)N[C@@H](c2ccc(OC)c(Br)c2)C1=O ZINC000925095198 654533902 /nfs/dbraw/zinc/53/39/02/654533902.db2.gz HAIWMOXGVGQEGA-RISCZKNCSA-N 1 0 382.258 2.145 20 0 GEADRO CCn1cnc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000907344924 654534176 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387.933 2.098 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000926308033 654568027 /nfs/dbraw/zinc/56/80/27/654568027.db2.gz SSSIWFIVDYEHJV-CZUORRHYSA-N 1 0 394.313 2.310 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926318509 654568247 /nfs/dbraw/zinc/56/82/47/654568247.db2.gz ZUVQTRZKOXDBKQ-ZBEGNZNMSA-N 1 0 378.897 2.162 20 0 GEADRO CC(C)[C@H]([NH2+][C@@H](C)C1(Br)CC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000926332204 654568277 /nfs/dbraw/zinc/56/82/77/654568277.db2.gz QOSRSZKXGMQYFE-WFASDCNBSA-N 1 0 398.349 2.113 20 0 GEADRO C[C@@H]1CC2(CC([NH2+]CCNS(=O)(=O)c3ccc(Cl)cc3F)C2)CO1 ZINC000926356994 654569356 /nfs/dbraw/zinc/56/93/56/654569356.db2.gz MHKYZOJODGJFIY-FFKNIBCLSA-N 1 0 376.881 2.305 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)n1 ZINC000926415997 654570601 /nfs/dbraw/zinc/57/06/01/654570601.db2.gz XRPVFNCSKUTYBE-NWDGAFQWSA-N 1 0 376.320 2.309 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)C1 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C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926602149 654577160 /nfs/dbraw/zinc/57/71/60/654577160.db2.gz SKOANGRRTVABSM-HIFRSBDPSA-N 1 0 382.551 2.130 20 0 GEADRO Cc1cc(Br)c(CC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)s1 ZINC000907780886 654578379 /nfs/dbraw/zinc/57/83/79/654578379.db2.gz HYMVGOQUQUQUGR-HNNXBMFYSA-N 1 0 375.332 2.277 20 0 GEADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000907781869 654578692 /nfs/dbraw/zinc/57/86/92/654578692.db2.gz CMAVPMHRSFLINC-UHFFFAOYSA-N 1 0 385.295 2.109 20 0 GEADRO O=C(NCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(Br)cn1 ZINC000926683628 654580109 /nfs/dbraw/zinc/58/01/09/654580109.db2.gz SMMNAMNNDTWWHG-CJNGLKHVSA-N 1 0 382.302 2.369 20 0 GEADRO COc1ccnc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000926682700 654580148 /nfs/dbraw/zinc/58/01/48/654580148.db2.gz GSNRUIZQXFDHGQ-LLVKDONJSA-N 1 0 379.258 2.328 20 0 GEADRO O=C(NCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc(Br)cn1 ZINC000926683630 654580275 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NMSAMRMWWVNYKH-SWLSCSKDSA-N 1 0 381.464 2.484 20 0 GEADRO CCO[C@@H](CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C[NH+](C)C ZINC000926964498 654585139 /nfs/dbraw/zinc/58/51/39/654585139.db2.gz XMKHSALMCZPFFZ-MNOVXSKESA-N 1 0 398.356 2.258 20 0 GEADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)s2)cc1 ZINC000927025130 654589496 /nfs/dbraw/zinc/58/94/96/654589496.db2.gz DSSJBTUCNULSGM-RISCZKNCSA-N 1 0 384.523 2.183 20 0 GEADRO CC[C@H]([NH2+]CCOC1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000927078116 654590876 /nfs/dbraw/zinc/59/08/76/654590876.db2.gz FGWIWJFPOQKYSD-INIZCTEOSA-N 1 0 390.933 2.484 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927108253 654592984 /nfs/dbraw/zinc/59/29/84/654592984.db2.gz ZEKGUBVZJMRARL-HUUCEWRRSA-N 1 0 396.333 2.403 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000927108312 654593003 /nfs/dbraw/zinc/59/30/03/654593003.db2.gz MHSIQQFMHJYFQY-HIFRSBDPSA-N 1 0 396.333 2.260 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)c1nscc1I ZINC000907959990 654593085 /nfs/dbraw/zinc/59/30/85/654593085.db2.gz PIPNTVFNLHEQTA-UHFFFAOYSA-N 1 0 379.267 2.306 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927110754 654593247 /nfs/dbraw/zinc/59/32/47/654593247.db2.gz WXVWYESOPFKBMG-JSGCOSHPSA-N 1 0 384.322 2.116 20 0 GEADRO CN(C(=O)NCC1(n2cc(Br)cn2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000927111744 654593550 /nfs/dbraw/zinc/59/35/50/654593550.db2.gz BNSDGACEGFWBJD-YIONKMFJSA-N 1 0 396.333 2.401 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927112123 654593623 /nfs/dbraw/zinc/59/36/23/654593623.db2.gz JHMKURKZMVQAOL-UHFFFAOYSA-N 1 0 384.322 2.262 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)c1ccnn1C ZINC000927130623 654595094 /nfs/dbraw/zinc/59/50/94/654595094.db2.gz GUOWKZJNDNEYDX-XHDPSFHLSA-N 1 0 381.274 2.223 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](O)c1ccnn1C ZINC000927130616 654595157 /nfs/dbraw/zinc/59/51/57/654595157.db2.gz 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C[NH+]1CCC(OCC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC1 ZINC000931422182 654742048 /nfs/dbraw/zinc/74/20/48/654742048.db2.gz YDWYTSNGBNKVNL-QGZVFWFLSA-N 1 0 397.313 2.460 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931482170 654743315 /nfs/dbraw/zinc/74/33/15/654743315.db2.gz QPBOXKUHDPUCBO-UHFFFAOYSA-N 1 0 381.318 2.224 20 0 GEADRO COC(=O)c1ccc(CN2CCC(O)(C[NH+](C)C)CC2)c(Br)c1 ZINC000931481329 654743381 /nfs/dbraw/zinc/74/33/81/654743381.db2.gz QLUSTOBYRMMNGF-UHFFFAOYSA-N 1 0 385.302 2.124 20 0 GEADRO [NH3+][C@H](CC(=O)NCCCOC[C@@H]1CCCO1)Cc1ccc(Br)cc1 ZINC000912134666 654743572 /nfs/dbraw/zinc/74/35/72/654743572.db2.gz RIJOWOQRPRUPPQ-IRXDYDNUSA-N 1 0 399.329 2.411 20 0 GEADRO Cc1nc(N2CC[NH+](CCC(=O)Nc3ccc(Br)cc3)CC2)n[nH]1 ZINC000931624286 654749488 /nfs/dbraw/zinc/74/94/88/654749488.db2.gz MIIUIHJNOYLCNH-UHFFFAOYSA-N 1 0 393.289 2.026 20 0 GEADRO CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000912312190 654749632 /nfs/dbraw/zinc/74/96/32/654749632.db2.gz 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654752464 /nfs/dbraw/zinc/75/24/64/654752464.db2.gz YOJGOQFPYPRHPA-INIZCTEOSA-N 1 0 396.329 2.383 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000931693465 654753766 /nfs/dbraw/zinc/75/37/66/654753766.db2.gz XCKZHKUAZIKZPO-JSGCOSHPSA-N 1 0 380.286 2.428 20 0 GEADRO COC(=O)C[C@@H](NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000912453618 654754667 /nfs/dbraw/zinc/75/46/67/654754667.db2.gz HFVCIQFGSQEKRG-UXIGCNINSA-N 1 0 383.286 2.415 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000912466092 654755951 /nfs/dbraw/zinc/75/59/51/654755951.db2.gz SHEVOJWSPXDVMR-FUHWJXTLSA-N 1 0 397.313 2.196 20 0 GEADRO CCN(C(=O)c1cc(Br)cn(CC[NH3+])c1=O)c1cccc(OC)c1 ZINC000912498595 654757189 /nfs/dbraw/zinc/75/71/89/654757189.db2.gz QKWSIKXGHOPOND-UHFFFAOYSA-N 1 0 394.269 2.245 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000912586373 654760102 /nfs/dbraw/zinc/76/01/02/654760102.db2.gz BUHYEUBGWDUJBY-UHFFFAOYSA-N 1 0 385.302 2.367 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000912595401 654760399 /nfs/dbraw/zinc/76/03/99/654760399.db2.gz CEYSPCKIWZVYBV-UHFFFAOYSA-N 1 0 397.313 2.474 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000912604238 654760630 /nfs/dbraw/zinc/76/06/30/654760630.db2.gz IZFLQMHDXSRRDX-UHFFFAOYSA-N 1 0 385.302 2.185 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000912599576 654760664 /nfs/dbraw/zinc/76/06/64/654760664.db2.gz OWBDOULNBDTSEZ-UHFFFAOYSA-N 1 0 382.258 2.100 20 0 GEADRO Cn1cc(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c(Br)n1 ZINC000931878791 654760704 /nfs/dbraw/zinc/76/07/04/654760704.db2.gz LWQOKPKXKVCSDF-LBPRGKRZSA-N 1 0 381.278 2.392 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2nscc2I)C12CCC2 ZINC000912600445 654760727 /nfs/dbraw/zinc/76/07/27/654760727.db2.gz LZGDGFFNDCOCJZ-ZJUUUORDSA-N 1 0 391.278 2.350 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(C(C)C)ncc1Br ZINC000931988467 654763313 /nfs/dbraw/zinc/76/33/13/654763313.db2.gz KEWGMHRUSCBPLH-LBPRGKRZSA-N 1 0 385.306 2.203 20 0 GEADRO O=S1(=O)CCC[C@H]1C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000932073567 654765584 /nfs/dbraw/zinc/76/55/84/654765584.db2.gz PCCYDVQKLMPVQQ-ARFHVFGLSA-N 1 0 376.444 2.216 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)n1 ZINC000912733693 654765836 /nfs/dbraw/zinc/76/58/36/654765836.db2.gz WWBJMJFSBACTTO-ZDUSSCGKSA-N 1 0 387.322 2.409 20 0 GEADRO CCn1c(Br)ncc1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000912731545 654765882 /nfs/dbraw/zinc/76/58/82/654765882.db2.gz ZUQVPODLJZUAIP-CYBMUJFWSA-N 1 0 399.333 2.381 20 0 GEADRO CN1C[C@H](O)C[C@]1(C)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000912822943 654769275 /nfs/dbraw/zinc/76/92/75/654769275.db2.gz FBICAJUQKIFVBC-TZMCWYRMSA-N 1 0 377.229 2.112 20 0 GEADRO O=c1cc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)[nH]c2ccnn21 ZINC000932210774 654770435 /nfs/dbraw/zinc/77/04/35/654770435.db2.gz DJZKNFLBYADHRD-CYBMUJFWSA-N 1 0 375.226 2.399 20 0 GEADRO O=C(c1csc(I)n1)N1CCC([NH+]2CCC2)CC1 ZINC000912871907 654772103 /nfs/dbraw/zinc/77/21/03/654772103.db2.gz GSZQRZUEMCRLMF-UHFFFAOYSA-N 1 0 377.251 2.058 20 0 GEADRO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912922843 654774473 /nfs/dbraw/zinc/77/44/73/654774473.db2.gz QKRQDSNDGVEYNK-UONOGXRCSA-N 1 0 392.297 2.109 20 0 GEADRO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920602 654774543 /nfs/dbraw/zinc/77/45/43/654774543.db2.gz ZRHIDDQCAROAAP-JKSUJKDBSA-N 1 0 392.297 2.109 20 0 GEADRO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnc1Br ZINC000932575906 654782564 /nfs/dbraw/zinc/78/25/64/654782564.db2.gz JXFGSBKBVLQHKB-INIZCTEOSA-N 1 0 395.345 2.393 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)C1 ZINC000932622808 654783812 /nfs/dbraw/zinc/78/38/12/654783812.db2.gz MNBAFSWETFSAIX-HNNXBMFYSA-N 1 0 383.583 2.168 20 0 GEADRO COC(=O)c1cnc([C@H]2CC[N@H+](C[C@H](O)COCc3cccs3)C2)s1 ZINC000932660555 654784646 /nfs/dbraw/zinc/78/46/46/654784646.db2.gz QINCPILSMFUFKZ-STQMWFEESA-N 1 0 382.507 2.358 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)c2cnn3cccc(Br)c23)CC1 ZINC000932678800 654785497 /nfs/dbraw/zinc/78/54/97/654785497.db2.gz LDERZCOIXWQXGX-UHFFFAOYSA-N 1 0 395.301 2.280 20 0 GEADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000913160278 654785874 /nfs/dbraw/zinc/78/58/74/654785874.db2.gz XAABMWHZBYGPKR-ZDUSSCGKSA-N 1 0 385.295 2.251 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000932700994 654786114 /nfs/dbraw/zinc/78/61/14/654786114.db2.gz CDBGYNLLKFKQIB-LLVKDONJSA-N 1 0 390.272 2.483 20 0 GEADRO COc1cc(Br)cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000932714699 654786254 /nfs/dbraw/zinc/78/62/54/654786254.db2.gz PEVJCIFYUNVLLW-CYBMUJFWSA-N 1 0 384.318 2.071 20 0 GEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3csc(I)n3)C[C@]2(C)C1 ZINC000913276705 654787685 /nfs/dbraw/zinc/78/76/85/654787685.db2.gz KYQZMHXOUHCPKW-STQMWFEESA-N 1 0 391.278 2.162 20 0 GEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)C[C@]2(C)C1 ZINC000913273002 654787707 /nfs/dbraw/zinc/78/77/07/654787707.db2.gz DZSLSQIRVOPERU-ROUUACIJSA-N 1 0 394.313 2.360 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCc3cc(F)cc(Br)c3C2)C1 ZINC000913346401 654789407 /nfs/dbraw/zinc/78/94/07/654789407.db2.gz NEOAZQGQHNMHDS-QGZVFWFLSA-N 1 0 385.277 2.320 20 0 GEADRO Cc1ncc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(C)c1Br ZINC000932775438 654789478 /nfs/dbraw/zinc/78/94/78/654789478.db2.gz NFDXTGRDDZAMAJ-QWRGUYRKSA-N 1 0 385.306 2.380 20 0 GEADRO O=C1N[C@@H](C2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)CO1 ZINC000932784782 654790166 /nfs/dbraw/zinc/79/01/66/654790166.db2.gz BIMMUTQVRDIWNQ-GDBMZVCRSA-N 1 0 399.285 2.009 20 0 GEADRO CO[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(Br)s1 ZINC000913428080 654791696 /nfs/dbraw/zinc/79/16/96/654791696.db2.gz SGXFJBOZSVGWLH-GXFFZTMASA-N 1 0 391.331 2.160 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000932872402 654793223 /nfs/dbraw/zinc/79/32/23/654793223.db2.gz XTNLVMLSGQVKLK-UHFFFAOYSA-N 1 0 378.274 2.270 20 0 GEADRO NC(=O)C12CCC(CC1)[N@@H+]2CCC(=O)Nc1ccc(Br)cc1F ZINC000932931585 654794762 /nfs/dbraw/zinc/79/47/62/654794762.db2.gz MJHZGZFZLGQJLX-UHFFFAOYSA-N 1 0 384.249 2.399 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)[nH]nc2Br)[C@@H](C)C1 ZINC000932947434 654795758 /nfs/dbraw/zinc/79/57/58/654795758.db2.gz GFVAIYUNWDMBKC-AAEUAGOBSA-N 1 0 387.322 2.347 20 0 GEADRO O=C(CC[NH2+][C@H]1C(=O)NCC12CCOCC2)Nc1c(Cl)cccc1Cl ZINC000933037626 654800786 /nfs/dbraw/zinc/80/07/86/654800786.db2.gz WASVWLFJRGXBDN-HNNXBMFYSA-N 1 0 386.279 2.207 20 0 GEADRO CN1C(=O)C[C@H](C(=O)NC23CC[NH+](CC2)C3)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000913633467 654802361 /nfs/dbraw/zinc/80/23/61/654802361.db2.gz FWJIZBFANRGWRF-LRDDRELGSA-N 1 0 382.291 2.477 20 0 GEADRO O=C(NC12CC[NH+](CC1)C2)c1cc(Br)nn1-c1ncccc1Cl ZINC000913637069 654802453 /nfs/dbraw/zinc/80/24/53/654802453.db2.gz FRRBPJHHHVAMPS-UHFFFAOYSA-N 1 0 396.676 2.261 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N2CCC(O)(C[NH+](C)C)CC2)c(Br)c1 ZINC000913681436 654804033 /nfs/dbraw/zinc/80/40/33/654804033.db2.gz HNZVBVYFAUEIRB-AWEZNQCLSA-N 1 0 399.329 2.440 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000913682125 654804159 /nfs/dbraw/zinc/80/41/59/654804159.db2.gz PCSOFXNBHFSLMJ-UHFFFAOYSA-N 1 0 381.314 2.396 20 0 GEADRO COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC000913738651 654807004 /nfs/dbraw/zinc/80/70/04/654807004.db2.gz AHFOPPPJXINWRE-LBPRGKRZSA-N 1 0 387.299 2.279 20 0 GEADRO CN1CCN(C(=O)Nc2c(F)ccc(Br)c2F)CC[N@H+](C)CC1 ZINC000933303104 654807655 /nfs/dbraw/zinc/80/76/55/654807655.db2.gz RYGRCLMSBPMWHI-UHFFFAOYSA-N 1 0 391.260 2.438 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C1 ZINC000913768309 654808567 /nfs/dbraw/zinc/80/85/67/654808567.db2.gz ZJIYVTSUZAYUEG-SPUZQDLCSA-N 1 0 379.298 2.050 20 0 GEADRO C[C@H](NC(=O)c1cc(Br)cnc1C1CC1)[C@H]1C[N@H+](C)CCN1C ZINC000933381860 654810676 /nfs/dbraw/zinc/81/06/76/654810676.db2.gz DQXOQTYWEAFLNH-XHDPSFHLSA-N 1 0 381.318 2.086 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+]C2([C@@H]3CCCCO3)CC2)c1 ZINC000933379619 654810722 /nfs/dbraw/zinc/81/07/22/654810722.db2.gz UORWFZJQBSTYBC-HNNXBMFYSA-N 1 0 386.901 2.373 20 0 GEADRO C[C@@H](NC(=O)c1nccc2c(Br)cccc21)[C@H]1C[N@H+](C)CCN1C ZINC000933387852 654811385 /nfs/dbraw/zinc/81/13/85/654811385.db2.gz PNOQWABNBDMNIY-MLGOLLRUSA-N 1 0 391.313 2.361 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1cnc(Br)cn1)c1ccccc1 ZINC000913858899 654812086 /nfs/dbraw/zinc/81/20/86/654812086.db2.gz YPCDSXNYJMFUIY-AWEZNQCLSA-N 1 0 378.274 2.341 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1cnc(Br)cn1)c1cccs1 ZINC000913874263 654812924 /nfs/dbraw/zinc/81/29/24/654812924.db2.gz DYINOHXINZLIOO-LLVKDONJSA-N 1 0 384.303 2.403 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CCCCS(C)(=O)=O ZINC000933438183 654813521 /nfs/dbraw/zinc/81/35/21/654813521.db2.gz TUWOOURRSAKKPD-OAHLLOKOSA-N 1 0 378.332 2.157 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000913911167 654815501 /nfs/dbraw/zinc/81/55/01/654815501.db2.gz SMINUIDLPBDOPR-KRWDZBQOSA-N 1 0 386.901 2.017 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC(C)(C)CS(C)(=O)=O)C1 ZINC000914101477 654826649 /nfs/dbraw/zinc/82/66/49/654826649.db2.gz JDDNRJSXUYVHBQ-HZPDHXFCSA-N 1 0 375.579 2.115 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000914111458 654827374 /nfs/dbraw/zinc/82/73/74/654827374.db2.gz HOGMUUGHJWKKGU-NSHDSACASA-N 1 0 379.295 2.302 20 0 GEADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2Br)C1 ZINC000914110603 654827385 /nfs/dbraw/zinc/82/73/85/654827385.db2.gz LARZSVWEGKCUHC-LLVKDONJSA-N 1 0 379.295 2.302 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cn3ncnc23)C1 ZINC000933778782 654827436 /nfs/dbraw/zinc/82/74/36/654827436.db2.gz IQJPFMDLVHDXER-GFCCVEGCSA-N 1 0 380.290 2.296 20 0 GEADRO Cc1ccc(Br)c2cc(C(=O)NCC3(O)CC[NH+](C)CC3)[nH]c21 ZINC000933838590 654828193 /nfs/dbraw/zinc/82/81/93/654828193.db2.gz PQWHLSAZVYACNN-UHFFFAOYSA-N 1 0 380.286 2.425 20 0 GEADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Br)nc2N)CCOCC1 ZINC000933882325 654829076 /nfs/dbraw/zinc/82/90/76/654829076.db2.gz ZHWIWWOZWUDWLD-LLVKDONJSA-N 1 0 386.290 2.264 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@H]1C1OCCO1 ZINC000933901663 654829297 /nfs/dbraw/zinc/82/92/97/654829297.db2.gz DLXSLHVPXHKXIO-CYBMUJFWSA-N 1 0 389.315 2.306 20 0 GEADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914187109 654833427 /nfs/dbraw/zinc/83/34/27/654833427.db2.gz HWJCANYQWARWNB-BGJPBQGDSA-N 1 0 387.449 2.208 20 0 GEADRO CN1CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[N@H+](C)CC1 ZINC000933991561 654833694 /nfs/dbraw/zinc/83/36/94/654833694.db2.gz FSFGVMCUMMPIES-QGZVFWFLSA-N 1 0 385.339 2.278 20 0 GEADRO Cc1cc(NC(=O)[C@@H](C)N2CCN(C)CC[N@H+](C)CC2)ccc1Br ZINC000933994455 654833702 /nfs/dbraw/zinc/83/37/02/654833702.db2.gz QGNYVNMTSHXUCG-OAHLLOKOSA-N 1 0 397.361 2.264 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCCc1nc(C(F)(F)F)cs1 ZINC000914207504 654835241 /nfs/dbraw/zinc/83/52/41/654835241.db2.gz PZACLJLRKNLAEK-ZDUSSCGKSA-N 1 0 383.461 2.110 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2occc2Br)C1 ZINC000914213173 654835543 /nfs/dbraw/zinc/83/55/43/654835543.db2.gz WUVVQKPKXDBHFR-GFCCVEGCSA-N 1 0 377.304 2.395 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)CCSC1 ZINC000934077087 654835791 /nfs/dbraw/zinc/83/57/91/654835791.db2.gz BXNQUDJGHDJKBH-BZNIZROVSA-N 1 0 381.489 2.088 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2cnn3cccc(Br)c23)CCSC1 ZINC000934080583 654835841 /nfs/dbraw/zinc/83/58/41/654835841.db2.gz XQUTVSPUQFTAMM-HNNXBMFYSA-N 1 0 383.315 2.264 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2occc2Br)C1 ZINC000914215984 654835801 /nfs/dbraw/zinc/83/58/01/654835801.db2.gz YGIRGFJDYUHZBG-LBPRGKRZSA-N 1 0 395.319 2.164 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(F)ccc1OC(C)C ZINC000914235066 654837272 /nfs/dbraw/zinc/83/72/72/654837272.db2.gz LKOGUTVUXFEIRT-HNNXBMFYSA-N 1 0 376.494 2.248 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)NCCN2CCC([NH+](C)C)CC2)n1 ZINC000934164072 654837406 /nfs/dbraw/zinc/83/74/06/654837406.db2.gz BORNJIFFAJGFBG-UHFFFAOYSA-N 1 0 398.349 2.118 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000914248100 654838738 /nfs/dbraw/zinc/83/87/38/654838738.db2.gz OIDWOQKTGCPLSI-UHFFFAOYSA-N 1 0 382.306 2.255 20 0 GEADRO Cc1c(Br)cncc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000934256790 654840370 /nfs/dbraw/zinc/84/03/70/654840370.db2.gz UTGKGDNOORPTRA-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCOc1cc(F)cc(Br)c1 ZINC000934264112 654841236 /nfs/dbraw/zinc/84/12/36/654841236.db2.gz FZJZJKRUECAEEX-IAGOWNOFSA-N 1 0 387.293 2.498 20 0 GEADRO Cc1cc(NC(=O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000934263466 654841337 /nfs/dbraw/zinc/84/13/37/654841337.db2.gz POAYSIXCCASXPZ-IAGOWNOFSA-N 1 0 396.329 2.227 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934268200 654842153 /nfs/dbraw/zinc/84/21/53/654842153.db2.gz IAKUOCVEPLQJJW-DLBZAZTESA-N 1 0 397.313 2.267 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934274327 654842436 /nfs/dbraw/zinc/84/24/36/654842436.db2.gz QWOZRLAXLJCXHA-LSDHHAIUSA-N 1 0 383.290 2.215 20 0 GEADRO C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000914298748 654843010 /nfs/dbraw/zinc/84/30/10/654843010.db2.gz GCOJSTURTMXEDM-BBRMVZONSA-N 1 0 381.318 2.279 20 0 GEADRO Cc1sc(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000914308010 654844181 /nfs/dbraw/zinc/84/41/81/654844181.db2.gz KWXHYFYEDHYHRH-SUMWQHHRSA-N 1 0 385.599 2.320 20 0 GEADRO O=C(Nc1c(Br)cnn1C1CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934364470 654845954 /nfs/dbraw/zinc/84/59/54/654845954.db2.gz HZZWMQVGMLAVHD-ZIAGYGMSSA-N 1 0 398.305 2.043 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934370639 654846990 /nfs/dbraw/zinc/84/69/90/654846990.db2.gz VLMAVBKCRTUFOA-LBPRGKRZSA-N 1 0 399.337 2.128 20 0 GEADRO CC(F)(F)CCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000914349896 654847517 /nfs/dbraw/zinc/84/75/17/654847517.db2.gz SHLIQXHPTVGBJD-MRXNPFEDSA-N 1 0 376.469 2.108 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934375917 654848177 /nfs/dbraw/zinc/84/81/77/654848177.db2.gz PBDMMMXRYSETBZ-GFCCVEGCSA-N 1 0 386.294 2.213 20 0 GEADRO CC(C)S(=O)(=O)CCC[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934497011 654851159 /nfs/dbraw/zinc/85/11/59/654851159.db2.gz GUVGUJCOFWIOIR-OAHLLOKOSA-N 1 0 378.332 2.460 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000934578157 654853668 /nfs/dbraw/zinc/85/36/68/654853668.db2.gz SJLHWSPHFKOHSR-HQQWDMGQSA-N 1 0 392.297 2.474 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(Br)cc2OC(F)F)C1 ZINC000934743153 654857140 /nfs/dbraw/zinc/85/71/40/654857140.db2.gz KSYNBJOBTFAMQI-CQSZACIVSA-N 1 0 394.216 2.239 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000915135002 654863722 /nfs/dbraw/zinc/86/37/22/654863722.db2.gz BERXYADUNFUBOW-ZDUSSCGKSA-N 1 0 384.322 2.164 20 0 GEADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)CC2(F)CCC2)CC1 ZINC000915220755 654865553 /nfs/dbraw/zinc/86/55/53/654865553.db2.gz DLDBQSGJJSBWDI-INIZCTEOSA-N 1 0 378.554 2.402 20 0 GEADRO Cc1ccc(/C=C\C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(Br)c1 ZINC000915267037 654867017 /nfs/dbraw/zinc/86/70/17/654867017.db2.gz XDVGXVOODRDPJV-SREVYHEPSA-N 1 0 394.313 2.003 20 0 GEADRO C[NH+](C)CCCOC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000915280626 654867388 /nfs/dbraw/zinc/86/73/88/654867388.db2.gz IJLZWWMIOMLAOJ-UHFFFAOYSA-N 1 0 385.258 2.060 20 0 GEADRO Cc1cc(C(F)(F)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cnc1Cl ZINC000934953948 654868052 /nfs/dbraw/zinc/86/80/52/654868052.db2.gz MCMDULBEUKZIQI-AWEZNQCLSA-N 1 0 375.847 2.488 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000935006309 654870637 /nfs/dbraw/zinc/87/06/37/654870637.db2.gz IPCXJSSRIUPLPU-GFCCVEGCSA-N 1 0 393.289 2.268 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1=O ZINC000935014301 654870986 /nfs/dbraw/zinc/87/09/86/654870986.db2.gz YNHZXWVPEFZLQX-BLLLJJGKSA-N 1 0 394.313 2.237 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000935016090 654871005 /nfs/dbraw/zinc/87/10/05/654871005.db2.gz HUWNBUVBHVNUBG-AEGPPILISA-N 1 0 382.302 2.476 20 0 GEADRO Cc1ccc(Br)c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)n1 ZINC000935084958 654874872 /nfs/dbraw/zinc/87/48/72/654874872.db2.gz JVWAFRIMPAIGTC-UHFFFAOYSA-N 1 0 379.258 2.128 20 0 GEADRO CS[C@@H]1CN(C(=O)c2nc(C(C)C)ncc2Br)C[C@H]1[NH+](C)C ZINC000935114303 654876758 /nfs/dbraw/zinc/87/67/58/654876758.db2.gz RDPVRFUCLACKMX-VXGBXAGGSA-N 1 0 387.347 2.480 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000935132068 654877644 /nfs/dbraw/zinc/87/76/44/654877644.db2.gz YMEMZHLSYHLKNO-UHFFFAOYSA-N 1 0 398.349 2.111 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1F ZINC000915881947 654881690 /nfs/dbraw/zinc/88/16/90/654881690.db2.gz YGUFOKMSDJZUQX-GXSJLCMTSA-N 1 0 395.294 2.310 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935532394 654898696 /nfs/dbraw/zinc/89/86/96/654898696.db2.gz FNFYIONANJZQHF-LBPRGKRZSA-N 1 0 395.301 2.014 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2cc(Br)cnc2n1C ZINC000935779537 654916114 /nfs/dbraw/zinc/91/61/14/654916114.db2.gz DIMLABFSBCNCEQ-AWEZNQCLSA-N 1 0 397.317 2.158 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000935812390 654918404 /nfs/dbraw/zinc/91/84/04/654918404.db2.gz OOKITWHTTUEXFN-HNNXBMFYSA-N 1 0 397.317 2.492 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000935819188 654918971 /nfs/dbraw/zinc/91/89/71/654918971.db2.gz PVTYUADPJIXSAN-UHFFFAOYSA-N 1 0 398.349 2.118 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)c2cnc(CCC(F)(F)F)s2)CC1(C)C ZINC000935818508 654919126 /nfs/dbraw/zinc/91/91/26/654919126.db2.gz HYKPIXQQIBNOJW-UHFFFAOYSA-N 1 0 378.464 2.394 20 0 GEADRO C[NH+]1CCC(ONC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935842003 654921203 /nfs/dbraw/zinc/92/12/03/654921203.db2.gz IWSPDKSUAYYDRW-GFCCVEGCSA-N 1 0 382.258 2.017 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(Br)cn2ncnc12 ZINC000935937125 654928991 /nfs/dbraw/zinc/92/89/91/654928991.db2.gz OXIKGCXWCMIYTM-UHFFFAOYSA-N 1 0 380.290 2.440 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccc(Cl)s4)C[C@H]32)CC[N@@H+]1C ZINC000972418119 654941994 /nfs/dbraw/zinc/94/19/94/654941994.db2.gz XEYXLSMHJYGDSN-AAVRWANBSA-N 1 0 381.929 2.415 20 0 GEADRO O=C1CN(C(F)(F)c2cccc3ccnc(Cl)c32)CC2(CC[NH2+]CC2)N1 ZINC001164390350 718809331 /nfs/dbraw/zinc/80/93/31/718809331.db2.gz PHPHFHNHLZMSCF-UHFFFAOYSA-N 1 0 380.826 2.492 20 0 GEADRO Clc1nc2c(c(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164391900 718822424 /nfs/dbraw/zinc/82/24/24/718822424.db2.gz XSFPJEYSLMZMAW-FUHWJXTLSA-N 1 0 385.899 2.213 20 0 GEADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@@H]3C2)c(Cl)n1 ZINC001164390052 718824029 /nfs/dbraw/zinc/82/40/29/718824029.db2.gz LOCYLMZCEFLPHV-DGCLKSJQSA-N 1 0 375.803 2.024 20 0 GEADRO COc1ccc(-c2csc3ncnc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)cc1 ZINC001164406001 718839260 /nfs/dbraw/zinc/83/92/60/718839260.db2.gz RMHHPULVVKVJCH-OAHLLOKOSA-N 1 0 381.505 2.461 20 0 GEADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164400485 718842035 /nfs/dbraw/zinc/84/20/35/718842035.db2.gz YFKILAZJDHCBDQ-HNNXBMFYSA-N 1 0 379.842 2.436 20 0 GEADRO COc1ccccc1Oc1nc(Cl)ncc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399707 718843889 /nfs/dbraw/zinc/84/38/89/718843889.db2.gz DZRLECRZGUEGDD-ZDUSSCGKSA-N 1 0 375.860 2.025 20 0 GEADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164402974 718853805 /nfs/dbraw/zinc/85/38/05/718853805.db2.gz HCKXWTQMQDJZDP-DYVFJYSZSA-N 1 0 380.826 2.360 20 0 GEADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164403084 718854032 /nfs/dbraw/zinc/85/40/32/718854032.db2.gz HKBPGPYRCKGOQO-YOEHRIQHSA-N 1 0 380.826 2.360 20 0 GEADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164408463 718865040 /nfs/dbraw/zinc/86/50/40/718865040.db2.gz MDNDESKEEUGXRR-NEPJUHHUSA-N 1 0 385.802 2.145 20 0 GEADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164422235 718912575 /nfs/dbraw/zinc/91/25/75/718912575.db2.gz XYPLZKNJBABMMP-QGZVFWFLSA-N 1 0 398.841 2.413 20 0 GEADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424284 718915419 /nfs/dbraw/zinc/91/54/19/718915419.db2.gz MPGHDDUJWVHCTG-QGZVFWFLSA-N 1 0 398.841 2.413 20 0 GEADRO CCOC(=O)[C@@]12CCO[C@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164433075 718977894 /nfs/dbraw/zinc/97/78/94/718977894.db2.gz JJFDZCWGYZHORI-LAUBAEHRSA-N 1 0 389.496 2.105 20 0 GEADRO C(c1nc2sc3c(c2c(N2CCC[C@H]4[NH2+]C[C@H]42)n1)CCCC3)N1CCOCC1 ZINC001164450243 718999781 /nfs/dbraw/zinc/99/97/81/718999781.db2.gz SSYWKALLXKRQKI-HZPDHXFCSA-N 1 0 399.564 2.343 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(Cl)n1 ZINC001164614003 719012422 /nfs/dbraw/zinc/01/24/22/719012422.db2.gz BKCHNRVILNEEBM-XHNCKOQMSA-N 1 0 381.210 2.058 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)ncc1Cl ZINC001164614747 719013769 /nfs/dbraw/zinc/01/37/69/719013769.db2.gz GILBBDBQUWMGBI-HGNGGELXSA-N 1 0 381.210 2.058 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(Cl)(Cl)Oc1ccc(Cl)nc1 ZINC001164615355 719019709 /nfs/dbraw/zinc/01/97/09/719019709.db2.gz ILSNLZODQXYWOE-DLOVCJGASA-N 1 0 394.686 2.428 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)cc(C(=O)OC)n3)CC2)CC1 ZINC001164618438 719028631 /nfs/dbraw/zinc/02/86/31/719028631.db2.gz WULTZDZSKGTBOT-UHFFFAOYSA-N 1 0 389.496 2.421 20 0 GEADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccnc(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164626688 719087228 /nfs/dbraw/zinc/08/72/28/719087228.db2.gz INPKNRMQBSQXGH-WOJBJXKFSA-N 1 0 379.508 2.414 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164624663 719131831 /nfs/dbraw/zinc/13/18/31/719131831.db2.gz 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COC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165026387 721804174 /nfs/dbraw/zinc/80/41/74/721804174.db2.gz RDDRKQSMBKPXGL-ZYSHUDEJSA-N 1 0 381.480 2.395 20 0 GEADRO Cn1cnc2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc21 ZINC001165028262 721810113 /nfs/dbraw/zinc/81/01/13/721810113.db2.gz WTYUJZMMBVCWPB-KVSKMBFKSA-N 1 0 377.496 2.495 20 0 GEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4c3C(=O)NC4)C[C@@H]21 ZINC001165026273 721812317 /nfs/dbraw/zinc/81/23/17/721812317.db2.gz PQGRXPRXJKFJIQ-YTQUADARSA-N 1 0 377.492 2.457 20 0 GEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(N)=O)cn2)CC1 ZINC001165023337 721839337 /nfs/dbraw/zinc/83/93/37/721839337.db2.gz UWDCIGUQAIVVIC-UHFFFAOYSA-N 1 0 384.480 2.299 20 0 GEADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncccc1C(=O)NC1CCCCC1 ZINC001164931816 721850867 /nfs/dbraw/zinc/85/08/67/721850867.db2.gz WKWBAVUKRCAYNF-UXHICEINSA-N 1 0 385.556 2.359 20 0 GEADRO CCOC(=O)c1cnc(N2CC[NH+](C3CCCC3)CC2)cc1C(=O)OCC ZINC001165033726 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1 0 397.523 2.317 20 0 GEADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cccc(C(N)=O)n4)CC3)C2)cc1 ZINC001164938690 721928088 /nfs/dbraw/zinc/92/80/88/721928088.db2.gz DRPKMHYYFPJQKT-UHFFFAOYSA-N 1 0 380.492 2.360 20 0 GEADRO C[NH+](C)CC1CCN(c2ncnc3c2ccn3S(=O)(=O)c2ccccc2)CC1 ZINC001165041765 721944495 /nfs/dbraw/zinc/94/44/95/721944495.db2.gz KUCBMAMBFBNJKF-UHFFFAOYSA-N 1 0 399.520 2.446 20 0 GEADRO c1ccc(OCC[NH+]2CCN(c3ccc(CN4CCOCC4)cn3)CC2)cc1 ZINC001165042836 721952620 /nfs/dbraw/zinc/95/26/20/721952620.db2.gz SREQNSMDOZKJJD-UHFFFAOYSA-N 1 0 382.508 2.115 20 0 GEADRO CCOc1cc[nH+]c(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)c1 ZINC001164946906 721974025 /nfs/dbraw/zinc/97/40/25/721974025.db2.gz YSAYRGPJSAHBFK-UHFFFAOYSA-N 1 0 380.492 2.451 20 0 GEADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049794 721974974 /nfs/dbraw/zinc/97/49/74/721974974.db2.gz RLBROYVWKRGVSH-QZXCRCNTSA-N 1 0 394.541 2.236 20 0 GEADRO COCCOc1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nn1 ZINC001164955864 722022105 /nfs/dbraw/zinc/02/21/05/722022105.db2.gz PXKOAMGNOBXYIV-UHFFFAOYSA-N 1 0 383.496 2.389 20 0 GEADRO Cc1noc(C[C@@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3O2)n1 ZINC001164959579 722041717 /nfs/dbraw/zinc/04/17/17/722041717.db2.gz ILJFTMSLOJJXKL-BZSNNMDCSA-N 1 0 399.495 2.084 20 0 GEADRO O=C1Cc2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncc2N1 ZINC001164960531 722053715 /nfs/dbraw/zinc/05/37/15/722053715.db2.gz RNNMGHGHSBPCBL-UHFFFAOYSA-N 1 0 393.491 2.090 20 0 GEADRO COCc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C)n1 ZINC001164963835 722055376 /nfs/dbraw/zinc/05/53/76/722055376.db2.gz NBPYUAYHMJSPPY-UHFFFAOYSA-N 1 0 397.523 2.445 20 0 GEADRO COC(=O)C[C@@H](c1ccnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1)C1CC1 ZINC001164967731 722074762 /nfs/dbraw/zinc/07/47/62/722074762.db2.gz UJENAQOKRMNKQJ-HSALFYBXSA-N 1 0 385.508 2.438 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc(N5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164981376 722099025 /nfs/dbraw/zinc/09/90/25/722099025.db2.gz LFJQBKCDONXIPJ-PMACEKPBSA-N 1 0 394.523 2.199 20 0 GEADRO Cc1nc2[nH]ccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982841 722106111 /nfs/dbraw/zinc/10/61/11/722106111.db2.gz PJIKJXZSDZHOEW-IEBWSBKVSA-N 1 0 378.480 2.389 20 0 GEADRO Fc1cc2c(cn1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164970857 722108323 /nfs/dbraw/zinc/10/83/23/722108323.db2.gz AADXVKLYFHLPOK-VQIMIIECSA-N 1 0 394.454 2.286 20 0 GEADRO CC(C)Oc1cncc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982563 722143572 /nfs/dbraw/zinc/14/35/72/722143572.db2.gz RPNUFNGEWJMPKS-RTBURBONSA-N 1 0 383.496 2.386 20 0 GEADRO c1nnc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)o1 ZINC001164981605 722146542 /nfs/dbraw/zinc/14/65/42/722146542.db2.gz POOGQFBUWQHVLL-RBUKOAKNSA-N 1 0 392.463 2.254 20 0 GEADRO COc1ncc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972179 722151852 /nfs/dbraw/zinc/15/18/52/722151852.db2.gz GJSQZJWLCOHKSE-RDJZCZTQSA-N 1 0 389.887 2.261 20 0 GEADRO NS(=O)(=O)c1cccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996492 722213356 /nfs/dbraw/zinc/21/33/56/722213356.db2.gz NPRNMSYFJQDYPG-IBGZPJMESA-N 1 0 390.484 2.113 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1c[nH]c3ncnc(Cl)c13)CCC2 ZINC001165001045 722251122 /nfs/dbraw/zinc/25/11/22/722251122.db2.gz ZTXBPZZUNOPEGF-UHFFFAOYSA-N 1 0 389.891 2.248 20 0 GEADRO COc1cccc2c1ncnc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001164999592 722251545 /nfs/dbraw/zinc/25/15/45/722251545.db2.gz DGGHDSQLFJKLNF-UHFFFAOYSA-N 1 0 396.495 2.323 20 0 GEADRO C[C@@H]1CCc2nnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)cc2C1 ZINC001165003711 722257584 /nfs/dbraw/zinc/25/75/84/722257584.db2.gz GKVGJOHQFAIBNP-MRXNPFEDSA-N 1 0 384.528 2.286 20 0 GEADRO Cc1ccnc2nc(C(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)nn21 ZINC000016002888 210180990 /nfs/dbraw/zinc/18/09/90/210180990.db2.gz IDUVHUISJVJFEE-UHFFFAOYSA-N 1 0 385.859 2.090 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cc(Cl)sc2Cl)n1 ZINC000537825504 531462068 /nfs/dbraw/zinc/46/20/68/531462068.db2.gz ZVMOINPDLJRRHF-UHFFFAOYSA-N 1 0 390.296 2.068 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000151435220 531502258 /nfs/dbraw/zinc/50/22/58/531502258.db2.gz CAVCMZWSGLXSOC-HNNXBMFYSA-N 1 0 395.301 2.219 20 0 GEADRO Cc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(Br)n1 ZINC000151514333 531506981 /nfs/dbraw/zinc/50/69/81/531506981.db2.gz UQQBQXHPTCFOQZ-UHFFFAOYSA-N 1 0 383.290 2.481 20 0 GEADRO C[C@@H]1C[C@@H](CNS(=O)(=O)c2ncn(C)c2Cl)C[N@@H+]1Cc1ccccc1 ZINC000151962456 531522611 /nfs/dbraw/zinc/52/26/11/531522611.db2.gz FFUUUOVBODXCDI-HIFRSBDPSA-N 1 0 382.917 2.262 20 0 GEADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]([NH3+])C1 ZINC000152474236 531553413 /nfs/dbraw/zinc/55/34/13/531553413.db2.gz IAVGPSXDQNXIQZ-FZMZJTMJSA-N 1 0 390.336 2.405 20 0 GEADRO C[C@@H](NC(=O)NC1(c2cccc(Br)c2)CC1)[C@@H]1CN(C)CCO1 ZINC000152433868 531549594 /nfs/dbraw/zinc/54/95/94/531549594.db2.gz JCXBPSRJXAOAEU-DOMZBBRYSA-N 1 0 382.302 2.457 20 0 GEADRO C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152153185 531533645 /nfs/dbraw/zinc/53/36/45/531533645.db2.gz AHJCJUDVEZDZSL-CQSZACIVSA-N 1 0 388.555 2.064 20 0 GEADRO Cc1cc(Br)ccc1SCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152500493 531556286 /nfs/dbraw/zinc/55/62/86/531556286.db2.gz YNQZJACGPRLGRO-OAHLLOKOSA-N 1 0 375.332 2.278 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCOc1ccc(Cl)cc1Br ZINC000152548479 531558753 /nfs/dbraw/zinc/55/87/53/531558753.db2.gz ZXSQJBOIYVEFSL-HNNXBMFYSA-N 1 0 393.709 2.300 20 0 GEADRO COC(=O)CCNC(=O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152614980 531560648 /nfs/dbraw/zinc/56/06/48/531560648.db2.gz XFINYTJVOBWTJV-UHFFFAOYSA-N 1 0 383.286 2.092 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)CCSc1ccccc1Br ZINC000152762696 531570098 /nfs/dbraw/zinc/57/00/98/531570098.db2.gz BDWRFAKCNYEXQB-OAHLLOKOSA-N 1 0 375.332 2.360 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152841754 531573090 /nfs/dbraw/zinc/57/30/90/531573090.db2.gz 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394.368 2.464 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000063744553 531861618 /nfs/dbraw/zinc/86/16/18/531861618.db2.gz ALHWXANTJPDFDL-UHFFFAOYSA-N 1 0 381.571 2.181 20 0 GEADRO COc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1I ZINC000163873534 531865071 /nfs/dbraw/zinc/86/50/71/531865071.db2.gz LXICIQTXBBCVGA-TXEJJXNPSA-N 1 0 386.233 2.266 20 0 GEADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000165381517 531873565 /nfs/dbraw/zinc/87/35/65/531873565.db2.gz FXRZQLOTPARVCJ-OCCSQVGLSA-N 1 0 395.301 2.149 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000066376323 531875139 /nfs/dbraw/zinc/87/51/39/531875139.db2.gz OWLDOPKWIDZWKN-CQSZACIVSA-N 1 0 380.432 2.488 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000067118783 531876787 /nfs/dbraw/zinc/87/67/87/531876787.db2.gz GCBDNEMYUCGOLN-SNVBAGLBSA-N 1 0 379.885 2.446 20 0 GEADRO C[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000067281981 531881313 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COc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000175277440 532096138 /nfs/dbraw/zinc/09/61/38/532096138.db2.gz SKSUPKJRSLUMAD-LLVKDONJSA-N 1 0 377.304 2.078 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000123250034 532096923 /nfs/dbraw/zinc/09/69/23/532096923.db2.gz YPIWYPDKTISNPO-GFCCVEGCSA-N 1 0 398.276 2.471 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000123330578 532098030 /nfs/dbraw/zinc/09/80/30/532098030.db2.gz RBEMHUPNYPRJAD-ZDUSSCGKSA-N 1 0 380.286 2.332 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)Cc2ccccc2I)n1 ZINC000123346659 532098750 /nfs/dbraw/zinc/09/87/50/532098750.db2.gz MVWQZMAQCHBVLJ-UHFFFAOYSA-N 1 0 398.248 2.231 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000175450356 532104181 /nfs/dbraw/zinc/10/41/81/532104181.db2.gz PTQYLAPMSBSSBO-UHFFFAOYSA-N 1 0 380.432 2.272 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000123729488 532106747 /nfs/dbraw/zinc/10/67/47/532106747.db2.gz VKGWAWUGQGGCRX-UHFFFAOYSA-N 1 0 390.347 2.383 20 0 GEADRO CN(C(=O)c1ccc2ncc(I)n2c1)C1CC[NH+](C)CC1 ZINC000175567197 532108590 /nfs/dbraw/zinc/10/85/90/532108590.db2.gz MEEWGADHLTXEGF-UHFFFAOYSA-N 1 0 398.248 2.105 20 0 GEADRO Cc1cc(I)cnc1NC(=O)CN(C)[C@H]1CCSC1 ZINC000123847313 532109103 /nfs/dbraw/zinc/10/91/03/532109103.db2.gz PQSRWSOBZWRNEV-NSHDSACASA-N 1 0 391.278 2.370 20 0 GEADRO CN(CCS(=O)(=O)c1cccc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000175678939 532110919 /nfs/dbraw/zinc/11/09/19/532110919.db2.gz AGRGWJGLMIPFFK-CQSZACIVSA-N 1 0 389.359 2.496 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000175671942 532111203 /nfs/dbraw/zinc/11/12/03/532111203.db2.gz HHKJHXWNHOJPAQ-ZDUSSCGKSA-N 1 0 375.332 2.106 20 0 GEADRO C[NH+]1CCN(c2cc(CNC(=O)c3occc3Br)ccn2)CC1 ZINC000175676165 532111487 /nfs/dbraw/zinc/11/14/87/532111487.db2.gz DXBLOOBHKRNFDE-UHFFFAOYSA-N 1 0 379.258 2.119 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000124316616 532119178 /nfs/dbraw/zinc/11/91/78/532119178.db2.gz AFAPPQWZJCTKLZ-UHFFFAOYSA-N 1 0 375.803 2.434 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccncc2Br)ccn1 ZINC000124387239 532119488 /nfs/dbraw/zinc/11/94/88/532119488.db2.gz JSYWAUYXJFWQLH-UHFFFAOYSA-N 1 0 379.258 2.110 20 0 GEADRO Cc1csc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000175982026 532122189 /nfs/dbraw/zinc/12/21/89/532122189.db2.gz CMJQIKXFJMJGDL-CYBMUJFWSA-N 1 0 378.523 2.480 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1c(F)cccc1Br)C[NH+]1CCCC1 ZINC000176079576 532124858 /nfs/dbraw/zinc/12/48/58/532124858.db2.gz DEMGSJKJPUEEGQ-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000175700481 532112145 /nfs/dbraw/zinc/11/21/45/532112145.db2.gz MTMDAETUPZSYKQ-UHFFFAOYSA-N 1 0 385.711 2.293 20 0 GEADRO O=C(CC[NH+]1CCC(N2CCNC2=O)CC1)Nc1cccc(Br)c1 ZINC000123997897 532112916 /nfs/dbraw/zinc/11/29/16/532112916.db2.gz RSBZLMWAYYRNNQ-UHFFFAOYSA-N 1 0 395.301 2.267 20 0 GEADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)N[C@H]1CCC[NH2+]C1 ZINC000124134019 532114858 /nfs/dbraw/zinc/11/48/58/532114858.db2.gz FAUXQVOIXPQCQF-JTQLQIEISA-N 1 0 385.287 2.361 20 0 GEADRO CC(C)(Sc1ccc(Br)cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000125648210 532139575 /nfs/dbraw/zinc/13/95/75/532139575.db2.gz WACLFTDXEZOPEA-UHFFFAOYSA-N 1 0 386.359 2.341 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)c1 ZINC000176157769 532127484 /nfs/dbraw/zinc/12/74/84/532127484.db2.gz JKIUGUKQWXDYGR-UHFFFAOYSA-N 1 0 387.571 2.240 20 0 GEADRO COc1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000124821630 532130236 /nfs/dbraw/zinc/13/02/36/532130236.db2.gz YGRGCXAGKPWUNM-ZDUSSCGKSA-N 1 0 384.318 2.071 20 0 GEADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000124988318 532132001 /nfs/dbraw/zinc/13/20/01/532132001.db2.gz MDWFMHPBPXFOHX-XHDPSFHLSA-N 1 0 384.274 2.375 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000125132696 532132627 /nfs/dbraw/zinc/13/26/27/532132627.db2.gz VGTDISNBEXEZEN-WDEREUQCSA-N 1 0 377.304 2.314 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000125130516 532133157 /nfs/dbraw/zinc/13/31/57/532133157.db2.gz UBMULNZHZAHSMM-UHFFFAOYSA-N 1 0 380.539 2.499 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cncc(I)c2)C1 ZINC000125153820 532133206 /nfs/dbraw/zinc/13/32/06/532133206.db2.gz MVONUFAXVUDCND-LBPRGKRZSA-N 1 0 387.265 2.490 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)NCc2nc(C(F)(F)F)cs2)C[C@H](C)O1 ZINC000125224854 532133967 /nfs/dbraw/zinc/13/39/67/532133967.db2.gz KSQZNEFCJCNMCN-QWRGUYRKSA-N 1 0 380.436 2.460 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000176338729 532134104 /nfs/dbraw/zinc/13/41/04/532134104.db2.gz RZXIMISAGWBZRD-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO CCCCNC(=O)NC(=O)CN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000125538601 532136682 /nfs/dbraw/zinc/13/66/82/532136682.db2.gz QQBCZKMFDQKPMM-AWEZNQCLSA-N 1 0 386.290 2.040 20 0 GEADRO CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000176811551 532150214 /nfs/dbraw/zinc/15/02/14/532150214.db2.gz DCCJVDRMMJEEMJ-UHFFFAOYSA-N 1 0 387.933 2.148 20 0 GEADRO Cc1nc(C)c(S(=O)(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000176882590 532153423 /nfs/dbraw/zinc/15/34/23/532153423.db2.gz PWVHRUORTNSFJG-BETUJISGSA-N 1 0 387.571 2.270 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000125752363 532142872 /nfs/dbraw/zinc/14/28/72/532142872.db2.gz XOKLUEVJWCEKQW-GFCCVEGCSA-N 1 0 386.315 2.369 20 0 GEADRO CC(C)[C@@H](CNC(=O)Nc1cncc(Br)c1)[NH+]1CCN(C)CC1 ZINC000126119979 532145084 /nfs/dbraw/zinc/14/50/84/532145084.db2.gz MYZFBFCZZPDJFV-OAHLLOKOSA-N 1 0 384.322 2.238 20 0 GEADRO C[NH+](C)C[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(Br)s1 ZINC000176694589 532146776 /nfs/dbraw/zinc/14/67/76/532146776.db2.gz ULHKZJPAKGOQDN-LLVKDONJSA-N 1 0 388.331 2.183 20 0 GEADRO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(Br)cc1 ZINC000126292585 532147358 /nfs/dbraw/zinc/14/73/58/532147358.db2.gz IOECKNXKEAMUHV-HIFRSBDPSA-N 1 0 393.260 2.378 20 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/nfs/dbraw/zinc/16/14/09/532161409.db2.gz SODIUVVWDQLZCS-UHFFFAOYSA-N 1 0 388.555 2.026 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccn3c(I)cnc23)C1 ZINC000177174031 532163749 /nfs/dbraw/zinc/16/37/49/532163749.db2.gz KODKAEJNVZXLIU-NSHDSACASA-N 1 0 398.248 2.011 20 0 GEADRO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177218426 532164825 /nfs/dbraw/zinc/16/48/25/532164825.db2.gz UEPUTQVSQQJQOX-CYBMUJFWSA-N 1 0 381.464 2.472 20 0 GEADRO CN(CC[NH+](C)C)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000177679583 532178436 /nfs/dbraw/zinc/17/84/36/532178436.db2.gz LYXQTVRXFJTARD-UHFFFAOYSA-N 1 0 376.507 2.207 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177686249 532178684 /nfs/dbraw/zinc/17/86/84/532178684.db2.gz PWADCGRYYYDFKI-NSHDSACASA-N 1 0 386.677 2.348 20 0 GEADRO Brc1cc2c(cc1CN1CC[C@@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000129435394 532178836 /nfs/dbraw/zinc/17/88/36/532178836.db2.gz QHYCYVXLAKYIKJ-ZDUSSCGKSA-N 1 0 383.286 2.332 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC(C)(C)O ZINC000177729761 532181362 /nfs/dbraw/zinc/18/13/62/532181362.db2.gz SMWHSIUDYGVOJJ-JTQLQIEISA-N 1 0 376.238 2.321 20 0 GEADRO Brc1ccc2ncc(CN3CC[NH+](C4CCOCC4)CC3)n2c1 ZINC000129727223 532183142 /nfs/dbraw/zinc/18/31/42/532183142.db2.gz NGHRURFAVXCKBV-UHFFFAOYSA-N 1 0 379.302 2.393 20 0 GEADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)ccc1S(=O)(=O)C(F)F ZINC000177874837 532185441 /nfs/dbraw/zinc/18/54/41/532185441.db2.gz BDYSMHUHAPEVAQ-ZYHUDNBSSA-N 1 0 376.425 2.011 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177446634 532171709 /nfs/dbraw/zinc/17/17/09/532171709.db2.gz BHHAIICTCPUZTK-CHWSQXEVSA-N 1 0 387.933 2.193 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)cc1Br ZINC000129197391 532175049 /nfs/dbraw/zinc/17/50/49/532175049.db2.gz UXYIKOFKEWQSNJ-CQSZACIVSA-N 1 0 377.304 2.126 20 0 GEADRO CSc1ncc(Cl)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000178134707 532194427 /nfs/dbraw/zinc/19/44/27/532194427.db2.gz JEWLFIKGBWDUMT-UONOGXRCSA-N 1 0 384.933 2.350 20 0 GEADRO O=C(NCc1ccc(O)c(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178267502 532197661 /nfs/dbraw/zinc/19/76/61/532197661.db2.gz HVFIMYALKKKBQX-AWEZNQCLSA-N 1 0 398.301 2.018 20 0 GEADRO CC[NH+](CC)CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000131500185 532198685 /nfs/dbraw/zinc/19/86/85/532198685.db2.gz YGQOBTLQMWMDQH-CYBMUJFWSA-N 1 0 382.302 2.260 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000177885826 532186236 /nfs/dbraw/zinc/18/62/36/532186236.db2.gz ANIZHIRHWQKOEO-GFCCVEGCSA-N 1 0 375.332 2.394 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000131639652 532200827 /nfs/dbraw/zinc/20/08/27/532200827.db2.gz BFOHAIDPWJIFAV-GFCCVEGCSA-N 1 0 386.315 2.369 20 0 GEADRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(I)cc1 ZINC000130028114 532188341 /nfs/dbraw/zinc/18/83/41/532188341.db2.gz SRDKOWGZDIOKOC-UHFFFAOYSA-N 1 0 382.267 2.087 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178008610 532189774 /nfs/dbraw/zinc/18/97/74/532189774.db2.gz CKQRFSQEOZSPGG-STQMWFEESA-N 1 0 398.301 2.385 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1Br ZINC000130202211 532190471 /nfs/dbraw/zinc/19/04/71/532190471.db2.gz YROYHZGCHGWLOQ-LBPRGKRZSA-N 1 0 391.331 2.420 20 0 GEADRO CC[N@H+](CC(=O)NCCc1ccc(I)s1)C1CC1 ZINC000131958351 532206312 /nfs/dbraw/zinc/20/63/12/532206312.db2.gz MFJRGQIRGCTHLT-UHFFFAOYSA-N 1 0 378.279 2.496 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NCC[C@H](C)[NH3+])C1 ZINC000178691976 532210332 /nfs/dbraw/zinc/21/03/32/532210332.db2.gz MUIXOULNPLYWNH-KBPBESRZSA-N 1 0 396.329 2.463 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C1 ZINC000178822115 532214073 /nfs/dbraw/zinc/21/40/73/532214073.db2.gz ZUNQPLQCGPTKKT-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(Cl)cc1Cl ZINC000132330503 532214156 /nfs/dbraw/zinc/21/41/56/532214156.db2.gz JBRARYFVZQELQE-SNVBAGLBSA-N 1 0 394.324 2.101 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000132474895 532215758 /nfs/dbraw/zinc/21/57/58/532215758.db2.gz JAUZWWQQWOKYIA-ZETCQYMHSA-N 1 0 380.613 2.126 20 0 GEADRO CCCN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1CC[NH2+]C1 ZINC000178925103 532217854 /nfs/dbraw/zinc/21/78/54/532217854.db2.gz CFLFHNOJFXHTFF-ZIAGYGMSSA-N 1 0 394.313 2.403 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NCC[C@@H]3CC[NH2+]C3)CC2=O)ccc1Br ZINC000178950723 532218282 /nfs/dbraw/zinc/21/82/82/532218282.db2.gz YBXOCTPFSWUYOU-KBPBESRZSA-N 1 0 394.313 2.226 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178432669 532202295 /nfs/dbraw/zinc/20/22/95/532202295.db2.gz DDYZZDFZWPEIHA-ZDUSSCGKSA-N 1 0 385.277 2.311 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CCN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000179397086 532229673 /nfs/dbraw/zinc/22/96/73/532229673.db2.gz RSQSXIFSLQKOIH-CQSZACIVSA-N 1 0 389.924 2.270 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000133337474 532232223 /nfs/dbraw/zinc/23/22/23/532232223.db2.gz VMULQYPBAAPGAG-UHFFFAOYSA-N 1 0 395.305 2.081 20 0 GEADRO O[C@H](Cn1cccn1)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179552745 532235946 /nfs/dbraw/zinc/23/59/46/532235946.db2.gz FDZDSXWBPYWCDP-INIZCTEOSA-N 1 0 383.323 2.411 20 0 GEADRO NC(=O)c1csc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000132679364 532219965 /nfs/dbraw/zinc/21/99/65/532219965.db2.gz DAFYQWRZRVLXOV-UHFFFAOYSA-N 1 0 382.283 2.129 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2cc(Br)ccc2F)CC1 ZINC000132916597 532223994 /nfs/dbraw/zinc/22/39/94/532223994.db2.gz XBBVYWNVVGUXOR-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000179677706 532240778 /nfs/dbraw/zinc/24/07/78/532240778.db2.gz HLIRTZNBFQMGHY-MRXNPFEDSA-N 1 0 385.961 2.439 20 0 GEADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000179677778 532241088 /nfs/dbraw/zinc/24/10/88/532241088.db2.gz NKADZUYEIAHPEW-KRWDZBQOSA-N 1 0 385.961 2.439 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cncc(I)c2)C1 ZINC000133964673 532246755 /nfs/dbraw/zinc/24/67/55/532246755.db2.gz KCWLQMNKIKVJOP-BXUZGUMPSA-N 1 0 385.249 2.243 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(Br)n1 ZINC000179852049 532247207 /nfs/dbraw/zinc/24/72/07/532247207.db2.gz WRHLGLSXLPCBJB-NEPJUHHUSA-N 1 0 383.290 2.080 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1 ZINC000179869592 532248061 /nfs/dbraw/zinc/24/80/61/532248061.db2.gz HNJHOPAHLWSWFP-LLVKDONJSA-N 1 0 376.425 2.026 20 0 GEADRO Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C ZINC000134089620 532249589 /nfs/dbraw/zinc/24/95/89/532249589.db2.gz LDLAFVBWLHCUEU-OAHLLOKOSA-N 1 0 381.523 2.045 20 0 GEADRO COC(=O)[C@H](O)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000135375620 532270814 /nfs/dbraw/zinc/27/08/14/532270814.db2.gz LYKGSFUOKCEELO-MRXNPFEDSA-N 1 0 399.285 2.024 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(Br)cc(Br)c1 ZINC000180464870 532271475 /nfs/dbraw/zinc/27/14/75/532271475.db2.gz FOQMHWKHEASJPR-ZDUSSCGKSA-N 1 0 394.107 2.254 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)o1 ZINC000180428022 532271800 /nfs/dbraw/zinc/27/18/00/532271800.db2.gz BIHXJKXRYYTCSP-UHFFFAOYSA-N 1 0 381.226 2.348 20 0 GEADRO COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000135375639 532271968 /nfs/dbraw/zinc/27/19/68/532271968.db2.gz LYKGSFUOKCEELO-INIZCTEOSA-N 1 0 399.285 2.024 20 0 GEADRO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000134318881 532254205 /nfs/dbraw/zinc/25/42/05/532254205.db2.gz LMJFBJRTDKNMPA-CYBMUJFWSA-N 1 0 384.527 2.133 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180047752 532254412 /nfs/dbraw/zinc/25/44/12/532254412.db2.gz KXEOTOOKBWRJMM-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180045481 532255047 /nfs/dbraw/zinc/25/50/47/532255047.db2.gz RICIJDLWPWWXHO-UHFFFAOYSA-N 1 0 378.217 2.124 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180096817 532257875 /nfs/dbraw/zinc/25/78/75/532257875.db2.gz GUUBHNNGUGHMFV-JTQLQIEISA-N 1 0 382.349 2.319 20 0 GEADRO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCCC[C@@H](SC)C1 ZINC000134606015 532259521 /nfs/dbraw/zinc/25/95/21/532259521.db2.gz XAPMIQPPHRKTLK-MRXNPFEDSA-N 1 0 383.583 2.430 20 0 GEADRO C[N@H+](CC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCSC1 ZINC000135238856 532268883 /nfs/dbraw/zinc/26/88/83/532268883.db2.gz RNICPNLIRCMOLC-DOMZBBRYSA-N 1 0 385.892 2.138 20 0 GEADRO CCC[NH+]1CCC(N2CCN(C(=O)c3cccnc3Br)CC2)CC1 ZINC000135512819 532274591 /nfs/dbraw/zinc/27/45/91/532274591.db2.gz WWFBWEHHYMJYEM-UHFFFAOYSA-N 1 0 395.345 2.476 20 0 GEADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccc(Br)nc3)C2)CC1 ZINC000180611935 532275866 /nfs/dbraw/zinc/27/58/66/532275866.db2.gz YXJHIBBDOPARBG-OAHLLOKOSA-N 1 0 396.333 2.478 20 0 GEADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3cccnc3Br)C2)CC1 ZINC000180624552 532276915 /nfs/dbraw/zinc/27/69/15/532276915.db2.gz MWBIEKMFBQZREG-CQSZACIVSA-N 1 0 396.333 2.478 20 0 GEADRO COC(=O)[C@H](O)C1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000180673072 532277569 /nfs/dbraw/zinc/27/75/69/532277569.db2.gz WFAMSMWGABISML-QGZVFWFLSA-N 1 0 396.281 2.471 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135642612 532278080 /nfs/dbraw/zinc/27/80/80/532278080.db2.gz PAPVONCBKRDSQE-OAHLLOKOSA-N 1 0 386.286 2.070 20 0 GEADRO COc1ccccc1C[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000180798307 532281525 /nfs/dbraw/zinc/28/15/25/532281525.db2.gz VCUAWNGGLKHTDP-ZDUSSCGKSA-N 1 0 376.469 2.480 20 0 GEADRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000180819287 532282787 /nfs/dbraw/zinc/28/27/87/532282787.db2.gz NXSXSJFKOWLGLV-WDEREUQCSA-N 1 0 377.304 2.189 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000136133843 532282999 /nfs/dbraw/zinc/28/29/99/532282999.db2.gz ADTQKUQXWGGEMR-CYBMUJFWSA-N 1 0 385.302 2.179 20 0 GEADRO Cc1nc(C)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)s1 ZINC000180982749 532287275 /nfs/dbraw/zinc/28/72/75/532287275.db2.gz HEMVTAVQOFRZEB-ZDUSSCGKSA-N 1 0 387.571 2.384 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000181022245 532288935 /nfs/dbraw/zinc/28/89/35/532288935.db2.gz YTRQKGGYCDZMLR-RHSMWYFYSA-N 1 0 396.329 2.033 20 0 GEADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000181022266 532289209 /nfs/dbraw/zinc/28/92/09/532289209.db2.gz YTRQKGGYCDZMLR-YOEHRIQHSA-N 1 0 396.329 2.033 20 0 GEADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000181034522 532289340 /nfs/dbraw/zinc/28/93/40/532289340.db2.gz CZNNXXSPBRMSGU-PBHICJAKSA-N 1 0 396.329 2.033 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000181022227 532289445 /nfs/dbraw/zinc/28/94/45/532289445.db2.gz YTRQKGGYCDZMLR-WMLDXEAASA-N 1 0 396.329 2.033 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000135511139 532274343 /nfs/dbraw/zinc/27/43/43/532274343.db2.gz BTVQNBKKXYJQNQ-UHFFFAOYSA-N 1 0 380.290 2.444 20 0 GEADRO NC(=O)C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000182054352 532308360 /nfs/dbraw/zinc/30/83/60/532308360.db2.gz BTDNFVRSNWRHEH-GDBMZVCRSA-N 1 0 382.302 2.389 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N[C@H](C)C[NH3+])cc1Br ZINC000141936992 532295220 /nfs/dbraw/zinc/29/52/20/532295220.db2.gz WAVMNWDLEATVLX-SSDOTTSWSA-N 1 0 386.109 2.146 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c(Br)n1 ZINC000181384307 532297415 /nfs/dbraw/zinc/29/74/15/532297415.db2.gz HPIKYNDKNVWRQP-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO C[C@H](C[NH2+]C(C)(C)COc1ncccc1Br)CS(C)(=O)=O ZINC000181517787 532300367 /nfs/dbraw/zinc/30/03/67/532300367.db2.gz BVFHPKASOMEJKN-LLVKDONJSA-N 1 0 379.320 2.272 20 0 GEADRO COc1ccc(C[C@H](C)[NH2+]CCNS(=O)(=O)c2cccs2)cc1OC ZINC000181532200 532300936 /nfs/dbraw/zinc/30/09/36/532300936.db2.gz VWUUDDHRHFATMX-ZDUSSCGKSA-N 1 0 384.523 2.264 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)n2)cc1 ZINC000150773618 532301299 /nfs/dbraw/zinc/30/12/99/532301299.db2.gz ZNKNQIVFEPYJSO-NEPJUHHUSA-N 1 0 380.495 2.248 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C[C@H]3CCC[NH2+]3)n2)cc1 ZINC000150773769 532301955 /nfs/dbraw/zinc/30/19/55/532301955.db2.gz UHEMGAVCTPOBBG-CYBMUJFWSA-N 1 0 380.495 2.262 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1sccc1Br ZINC000150872240 532303256 /nfs/dbraw/zinc/30/32/56/532303256.db2.gz PTCMYFKZMLLENL-JTQLQIEISA-N 1 0 385.349 2.146 20 0 GEADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cccc(Cl)c3F)CC2)cn1 ZINC000150981470 532305429 /nfs/dbraw/zinc/30/54/29/532305429.db2.gz DMVOIZVVDHSAAM-UHFFFAOYSA-N 1 0 386.880 2.156 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cccc(I)c1)C1CC1 ZINC000151135388 532307374 /nfs/dbraw/zinc/30/73/74/532307374.db2.gz LIBQMSAYJNCXFF-UHFFFAOYSA-N 1 0 394.278 2.054 20 0 GEADRO [NH3+][C@H](CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC000137428304 532290350 /nfs/dbraw/zinc/29/03/50/532290350.db2.gz XIJLYRVVUOSXOH-MRXNPFEDSA-N 1 0 394.313 2.155 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccnc(Cl)c2I)C1 ZINC000137584988 532290368 /nfs/dbraw/zinc/29/03/68/532290368.db2.gz MPTYFFBIPMRNGK-SECBINFHSA-N 1 0 393.656 2.411 20 0 GEADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000183382993 532324537 /nfs/dbraw/zinc/32/45/37/532324537.db2.gz UMWDFPXRMFSVHG-LLVKDONJSA-N 1 0 394.269 2.090 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182312172 532311934 /nfs/dbraw/zinc/31/19/34/532311934.db2.gz NKTICHAXBKIQII-HNNXBMFYSA-N 1 0 381.314 2.481 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1cc(Br)cs1 ZINC000182384949 532312478 /nfs/dbraw/zinc/31/24/78/532312478.db2.gz QJCANCWPXLIWOC-UHFFFAOYSA-N 1 0 389.363 2.290 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000182434058 532313320 /nfs/dbraw/zinc/31/33/20/532313320.db2.gz LGNOKRZZQWBDBI-LBPRGKRZSA-N 1 0 379.448 2.482 20 0 GEADRO CC[C@H]([NH2+]CC(=O)NCc1sccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183009752 532320586 /nfs/dbraw/zinc/32/05/86/532320586.db2.gz PFLYPZUTVBXYKO-HNNXBMFYSA-N 1 0 381.523 2.061 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000182989448 532320659 /nfs/dbraw/zinc/32/06/59/532320659.db2.gz HIVAGVHQMLROIA-GFCCVEGCSA-N 1 0 381.420 2.128 20 0 GEADRO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000183113548 532321813 /nfs/dbraw/zinc/32/18/13/532321813.db2.gz NTCFBCNJBZJOIS-KOLCDFICSA-N 1 0 385.839 2.355 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000183263100 532322727 /nfs/dbraw/zinc/32/27/27/532322727.db2.gz WEKIPNGISGYENC-ZDUSSCGKSA-N 1 0 389.315 2.253 20 0 GEADRO COc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(I)c1 ZINC000185108884 532336915 /nfs/dbraw/zinc/33/69/15/532336915.db2.gz KHHFSSKFJPHLKV-BHYNMZESSA-N 1 0 386.233 2.109 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000185229264 532337396 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Cc1nc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000185645188 532338401 /nfs/dbraw/zinc/33/84/01/532338401.db2.gz UQHOLQYTZINUJT-ZDUSSCGKSA-N 1 0 383.290 2.339 20 0 GEADRO CC(C)NC(=O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185753113 532338663 /nfs/dbraw/zinc/33/86/63/532338663.db2.gz CRZHXDNHAJEFRZ-UHFFFAOYSA-N 1 0 379.096 2.408 20 0 GEADRO CC[C@@H]([NH2+]CCc1cn(CC(=O)OC)nn1)c1nc(C(F)(F)F)cs1 ZINC000185953299 532339328 /nfs/dbraw/zinc/33/93/28/532339328.db2.gz NTJNCEXTQWKUPU-SNVBAGLBSA-N 1 0 377.392 2.210 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185981285 532339447 /nfs/dbraw/zinc/33/94/47/532339447.db2.gz LARWGIRFYAUWTC-CYBMUJFWSA-N 1 0 389.315 2.099 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000186310945 532340562 /nfs/dbraw/zinc/34/05/62/532340562.db2.gz IPOWXYCXFNAZTH-UHFFFAOYSA-N 1 0 388.917 2.479 20 0 GEADRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186501256 532341013 /nfs/dbraw/zinc/34/10/13/532341013.db2.gz 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Nc1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000463234449 532369826 /nfs/dbraw/zinc/36/98/26/532369826.db2.gz JHYWXPCGTKQABF-PELKAZGASA-N 1 0 394.107 2.281 20 0 GEADRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000191850116 532369979 /nfs/dbraw/zinc/36/99/79/532369979.db2.gz PAEPIZLFKXRTRP-HOCLYGCPSA-N 1 0 384.567 2.432 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000647261804 532371766 /nfs/dbraw/zinc/37/17/66/532371766.db2.gz MXPLFZXZNFNYBY-CYBMUJFWSA-N 1 0 385.555 2.100 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000463254241 532371732 /nfs/dbraw/zinc/37/17/32/532371732.db2.gz DSJXNDDLKAFSHC-HNNXBMFYSA-N 1 0 380.286 2.374 20 0 GEADRO CCC(=O)N1CSC[C@H]1C(=O)N(CC[NH+](CC)CC)CCC(F)(F)F ZINC000464276673 532395241 /nfs/dbraw/zinc/39/52/41/532395241.db2.gz QAHKVXONPIUEIN-ZDUSSCGKSA-N 1 0 383.480 2.421 20 0 GEADRO Cc1ccc(OCCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000647624974 532379424 /nfs/dbraw/zinc/37/94/24/532379424.db2.gz RNSKWTUSINWRMS-SFHVURJKSA-N 1 0 399.329 2.442 20 0 GEADRO Cc1ccc(NC(=O)[C@]2([NH+](C)C)CCCSC2)cc1S(=O)(=O)N(C)C ZINC000372254859 532379727 /nfs/dbraw/zinc/37/97/27/532379727.db2.gz IHSGSVBRIUICPE-KRWDZBQOSA-N 1 0 385.555 2.011 20 0 GEADRO CCOC(=O)[C@@](C)(O)CNc1cc[nH+]c2cc(OC)c(Br)cc12 ZINC000425250137 532379882 /nfs/dbraw/zinc/37/98/82/532379882.db2.gz VMZZMWJSZYCTFZ-INIZCTEOSA-N 1 0 383.242 2.154 20 0 GEADRO CC[C@@H]1CN(Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C[C@H]1O ZINC000294765744 532381027 /nfs/dbraw/zinc/38/10/27/532381027.db2.gz JDRQDJPANCSMKR-YWPYICTPSA-N 1 0 385.302 2.165 20 0 GEADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000647708163 532381572 /nfs/dbraw/zinc/38/15/72/532381572.db2.gz JNODYIOOGNJMOF-HZPDHXFCSA-N 1 0 379.298 2.148 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000647711911 532381588 /nfs/dbraw/zinc/38/15/88/532381588.db2.gz KVQAKHIXHLLHEQ-JSGCOSHPSA-N 1 0 387.293 2.340 20 0 GEADRO COC(=O)c1cnc([C@H](C)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)s1 ZINC000425320006 532382873 /nfs/dbraw/zinc/38/28/73/532382873.db2.gz DTJGXOCOOMUCCV-WCQYABFASA-N 1 0 383.539 2.324 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)c(F)cc1F ZINC000192072096 532383093 /nfs/dbraw/zinc/38/30/93/532383093.db2.gz GDMGNDQSJHRANY-SNVBAGLBSA-N 1 0 376.245 2.093 20 0 GEADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc(F)ccc2Br)C1=O ZINC000677749099 532383110 /nfs/dbraw/zinc/38/31/10/532383110.db2.gz FKLSXCSNLDSKIX-MEDUHNTESA-N 1 0 384.249 2.398 20 0 GEADRO NC(=O)C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073941 532383719 /nfs/dbraw/zinc/38/37/19/532383719.db2.gz QJAAORBLYVCDPO-IUODEOHRSA-N 1 0 380.286 2.142 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000677885082 532383906 /nfs/dbraw/zinc/38/39/06/532383906.db2.gz XIULIZFWJAJCOS-SJORKVTESA-N 1 0 396.329 2.162 20 0 GEADRO C[NH+](C)CCCCNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000463810911 532384129 /nfs/dbraw/zinc/38/41/29/532384129.db2.gz UVYPEGRLDGKXHO-UHFFFAOYSA-N 1 0 386.237 2.239 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cccnc1OCC(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000647895971 532384441 /nfs/dbraw/zinc/38/44/41/532384441.db2.gz QIRIUFSXSBJXGE-STQMWFEESA-N 1 0 377.457 2.124 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)CCCO ZINC000294798909 532384868 /nfs/dbraw/zinc/38/48/68/532384868.db2.gz MQMFJNIROVYRLL-QWHCGFSZSA-N 1 0 387.318 2.461 20 0 GEADRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192074414 532385061 /nfs/dbraw/zinc/38/50/61/532385061.db2.gz HNSVERPCEHKGFI-RHSMWYFYSA-N 1 0 381.270 2.439 20 0 GEADRO O=C(NCc1cc2cccnc2cc1Br)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677920432 532386465 /nfs/dbraw/zinc/38/64/65/532386465.db2.gz JWAGJKJMAIJOID-KRWDZBQOSA-N 1 0 389.297 2.003 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000590812729 532387041 /nfs/dbraw/zinc/38/70/41/532387041.db2.gz WXOZHOUFIPHRDD-NSHDSACASA-N 1 0 388.331 2.229 20 0 GEADRO CCCNC(=O)CN1CCC([NH2+]Cc2cc(C)c(Br)cn2)CC1 ZINC000623356714 532387883 /nfs/dbraw/zinc/38/78/83/532387883.db2.gz BTFOJTXJFFERMN-UHFFFAOYSA-N 1 0 383.334 2.233 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2N1 ZINC000516607055 532388268 /nfs/dbraw/zinc/38/82/68/532388268.db2.gz FDBMAAVGQQJFEA-HIFRSBDPSA-N 1 0 383.901 2.130 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000558208913 532388999 /nfs/dbraw/zinc/38/89/99/532388999.db2.gz JPPFRXXJMFIXCO-WFASDCNBSA-N 1 0 382.302 2.006 20 0 GEADRO C[C@]1(C2CC[NH+](CCOc3ccccc3Br)CC2)NC(=O)NC1=O ZINC000372391331 532389226 /nfs/dbraw/zinc/38/92/26/532389226.db2.gz IQZQXUZHKHUAMM-QGZVFWFLSA-N 1 0 396.285 2.138 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cnc2c(Br)cccn12 ZINC000425679556 532389909 /nfs/dbraw/zinc/38/99/09/532389909.db2.gz ZCHAMYHCVCXXBO-UHFFFAOYSA-N 1 0 397.321 2.102 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000295009760 532395725 /nfs/dbraw/zinc/39/57/25/532395725.db2.gz ZGHLYGPFMOVZFL-KGLIPLIRSA-N 1 0 398.345 2.346 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000516633029 532389965 /nfs/dbraw/zinc/38/99/65/532389965.db2.gz VCOZSZPVXYKFFZ-BETUJISGSA-N 1 0 380.286 2.154 20 0 GEADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000372399192 532390515 /nfs/dbraw/zinc/39/05/15/532390515.db2.gz DGEJLMDRLZJMSX-VIFPVBQESA-N 1 0 398.179 2.102 20 0 GEADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)CCOCC(F)(F)F)C1 ZINC000558426442 532390710 /nfs/dbraw/zinc/39/07/10/532390710.db2.gz DJLZQNIRCWRCLF-HIFRSBDPSA-N 1 0 380.432 2.320 20 0 GEADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279191918 532390871 /nfs/dbraw/zinc/39/08/71/532390871.db2.gz HDOVKBVNPHTVKC-PBHICJAKSA-N 1 0 381.314 2.343 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c(C)cc1Br ZINC000516768854 532391783 /nfs/dbraw/zinc/39/17/83/532391783.db2.gz ARXARVBFENKOIX-LBPRGKRZSA-N 1 0 383.258 2.341 20 0 GEADRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)ccc1C(F)(F)F ZINC000558473071 532392384 /nfs/dbraw/zinc/39/23/84/532392384.db2.gz VYMITVOXGJETOM-UHFFFAOYSA-N 1 0 380.432 2.139 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)CCC[N@@H+]1C ZINC000425742974 532392856 /nfs/dbraw/zinc/39/28/56/532392856.db2.gz MPGVNWZKNIWMPP-KOLCDFICSA-N 1 0 375.803 2.479 20 0 GEADRO Cc1c(Cl)c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)sc1S(N)(=O)=O ZINC000279262081 532392926 /nfs/dbraw/zinc/39/29/26/532392926.db2.gz VCOPMTAAMNZZKB-JTQLQIEISA-N 1 0 393.962 2.209 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)CCC1 ZINC000425773268 532393384 /nfs/dbraw/zinc/39/33/84/532393384.db2.gz UOAOLJJKQLMQOZ-UHFFFAOYSA-N 1 0 375.803 2.480 20 0 GEADRO Cn1ncc(Br)c1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000294987842 532393871 /nfs/dbraw/zinc/39/38/71/532393871.db2.gz YSVRBYJSKZRULC-UHFFFAOYSA-N 1 0 392.301 2.182 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cccc(F)c1Br)CCO2 ZINC000294971182 532394180 /nfs/dbraw/zinc/39/41/80/532394180.db2.gz FNJVYCWTKJFEFL-SWLSCSKDSA-N 1 0 392.290 2.414 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)CC1 ZINC000425771984 532394377 /nfs/dbraw/zinc/39/43/77/532394377.db2.gz RJVABPDDBAHKHL-UHFFFAOYSA-N 1 0 375.803 2.434 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)Cc2cccs2)c1 ZINC000678584280 532398500 /nfs/dbraw/zinc/39/85/00/532398500.db2.gz LYDRTWGRMIGOSC-STQMWFEESA-N 1 0 381.523 2.204 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cccc(Br)c2F)C1=O ZINC000648466230 532398464 /nfs/dbraw/zinc/39/84/64/532398464.db2.gz BQZJJGREBXZIEE-BZNIZROVSA-N 1 0 384.249 2.398 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000558716414 532398634 /nfs/dbraw/zinc/39/86/34/532398634.db2.gz BYZPQRGNIGBGFL-INIZCTEOSA-N 1 0 384.567 2.471 20 0 GEADRO O=C(CN1CCC[C@H](N2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000516936122 532396972 /nfs/dbraw/zinc/39/69/72/532396972.db2.gz TZIPEOKRVDMSSX-INIZCTEOSA-N 1 0 382.302 2.184 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)CC1CCCC1)c1ccc(Cl)cc1F ZINC000516922926 532397081 /nfs/dbraw/zinc/39/70/81/532397081.db2.gz VRLZWBPHSUPBMK-CQSZACIVSA-N 1 0 378.897 2.288 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c1Br ZINC000372549271 532397344 /nfs/dbraw/zinc/39/73/44/532397344.db2.gz YMIOBOAPVQGRAB-UHFFFAOYSA-N 1 0 387.322 2.214 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2CC(=O)Nc1ccc(I)cc1 ZINC000516937582 532399529 /nfs/dbraw/zinc/39/95/29/532399529.db2.gz KVNKHELAEXNBGB-UHFFFAOYSA-N 1 0 399.276 2.433 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000678601795 532399919 /nfs/dbraw/zinc/39/99/19/532399919.db2.gz RBIKTXMJHZBGMD-WWGRRREGSA-N 1 0 384.318 2.475 20 0 GEADRO COC(=O)C[C@]1([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000464611296 532400634 /nfs/dbraw/zinc/40/06/34/532400634.db2.gz SJPDYHMISIUVQO-PIGZYNQJSA-N 1 0 389.279 2.482 20 0 GEADRO CS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)cc1 ZINC000559072150 532400932 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OCC[N@H+](CCN1CCOCC1)Cc1ccc(Cl)c(Br)c1 ZINC000678818739 532401762 /nfs/dbraw/zinc/40/17/62/532401762.db2.gz XRXRCMZUKLASJT-UHFFFAOYSA-N 1 0 377.710 2.229 20 0 GEADRO C[C@@H]1CCSCCN1C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000559405553 532402496 /nfs/dbraw/zinc/40/24/96/532402496.db2.gz LLOXGDTVYCWSHR-HUUCEWRRSA-N 1 0 381.567 2.355 20 0 GEADRO COc1ccc(CCC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1Br ZINC000372723656 532404024 /nfs/dbraw/zinc/40/40/24/532404024.db2.gz HPLGDCBMNFXXFA-CQSZACIVSA-N 1 0 399.329 2.305 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000372723703 532404572 /nfs/dbraw/zinc/40/45/72/532404572.db2.gz HTLRRSQLXRVEHB-JTQLQIEISA-N 1 0 391.331 2.356 20 0 GEADRO COC(=O)c1cc(NC(=O)NCC[C@@H]2CC[NH2+]C2)c(Br)cc1F ZINC000591287354 532404654 /nfs/dbraw/zinc/40/46/54/532404654.db2.gz QFQKZVDNTALAQY-VIFPVBQESA-N 1 0 388.237 2.496 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C[C@H]2C1 ZINC000192537609 532405190 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GEADRO CN(C)c1nc(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)s1 ZINC000372746793 532406023 /nfs/dbraw/zinc/40/60/23/532406023.db2.gz VGFGZRPRUVSZNF-CQSZACIVSA-N 1 0 380.539 2.129 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)c2cc3c(s2)CCS(=O)(=O)C3)([NH+](C)C)C1 ZINC000372799177 532409448 /nfs/dbraw/zinc/40/94/48/532409448.db2.gz FCKVGFYMDBLSQA-FZKQIMNGSA-N 1 0 384.567 2.459 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CCCC[C@@H]1O)COc1cc(F)cc(Br)c1 ZINC000517236391 532409799 /nfs/dbraw/zinc/40/97/99/532409799.db2.gz UZRDJMXPQSJXNU-XFJVYGCCSA-N 1 0 376.266 2.469 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)NC/C=C/C[NH3+] ZINC000591357461 532410235 /nfs/dbraw/zinc/41/02/35/532410235.db2.gz UCLPFMJMYFEQTI-JDGPPOGSSA-N 1 0 387.265 2.426 20 0 GEADRO [NH3+]C/C=C/CNC(=O)NCc1ccc(Cl)cc1I ZINC000591357188 532410458 /nfs/dbraw/zinc/41/04/58/532410458.db2.gz WPIHFDXSNYGCIZ-OWOJBTEDSA-N 1 0 379.629 2.259 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000559933079 532408422 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O=S1(=O)CCC(O)(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000560094245 532413784 /nfs/dbraw/zinc/41/37/84/532413784.db2.gz MFHYHBZAHIYLQG-UHFFFAOYSA-N 1 0 382.707 2.132 20 0 GEADRO C[C@H]1CN(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@@H]1[NH+](C)C ZINC000465285534 532414029 /nfs/dbraw/zinc/41/40/29/532414029.db2.gz MODPZDZSNYVZIC-FZMZJTMJSA-N 1 0 380.290 2.188 20 0 GEADRO CC[C@H]([NH2+]Cc1cccc(I)c1)C(=O)N1CCOCC1 ZINC000560078912 532414207 /nfs/dbraw/zinc/41/42/07/532414207.db2.gz POIIZOXQBTZWSR-AWEZNQCLSA-N 1 0 388.249 2.018 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000192821241 532413300 /nfs/dbraw/zinc/41/33/00/532413300.db2.gz ZWVDXJJRLBOYSW-NFAWXSAZSA-N 1 0 377.312 2.120 20 0 GEADRO OC[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@H]1CCOC1 ZINC000280324513 532413327 /nfs/dbraw/zinc/41/33/27/532413327.db2.gz PQNDVTNNXNEWHU-HOTGVXAUSA-N 1 0 399.329 2.020 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000192824962 532413321 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GEADRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(S(N)(=O)=O)s1)c1ccccc1 ZINC000517566989 532420289 /nfs/dbraw/zinc/42/02/89/532420289.db2.gz WLHXICOVNFZUBJ-LBPRGKRZSA-N 1 0 381.523 2.255 20 0 GEADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686937 532422275 /nfs/dbraw/zinc/42/22/75/532422275.db2.gz BTCNUPWJIRMIJX-LBPRGKRZSA-N 1 0 387.311 2.026 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)s1 ZINC000427368535 532423257 /nfs/dbraw/zinc/42/32/57/532423257.db2.gz AKHBHCXCHHDZOQ-CQSZACIVSA-N 1 0 387.571 2.175 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000466226466 532423384 /nfs/dbraw/zinc/42/33/84/532423384.db2.gz NIDAMKJNFOSNPB-ABAIWWIYSA-N 1 0 392.301 2.379 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000193397232 532423645 /nfs/dbraw/zinc/42/36/45/532423645.db2.gz DVYZRYVVFZGJGG-BXKDBHETSA-N 1 0 377.304 2.042 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1ccccc1Br ZINC000281235195 532421767 /nfs/dbraw/zinc/42/17/67/532421767.db2.gz LIDPXKSTDVEHJO-CQSZACIVSA-N 1 0 382.346 2.479 20 0 GEADRO CCOC(=O)CC[C@@H](O)C[NH2+]CCc1ccc(I)s1 ZINC000591735511 532421907 /nfs/dbraw/zinc/42/19/07/532421907.db2.gz QMCYPQNYVQBBIH-SNVBAGLBSA-N 1 0 397.278 2.189 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000560685072 532421977 /nfs/dbraw/zinc/42/19/77/532421977.db2.gz XEKDDEBZZDRNPW-UHFFFAOYSA-N 1 0 390.709 2.129 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)C1 ZINC000193387188 532424187 /nfs/dbraw/zinc/42/41/87/532424187.db2.gz AIJKAWCTSDPZSD-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1Cl ZINC000193385509 532424335 /nfs/dbraw/zinc/42/43/35/532424335.db2.gz YLCIWHNCKSNVKG-UHFFFAOYSA-N 1 0 395.706 2.309 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C1 ZINC000193384784 532424487 /nfs/dbraw/zinc/42/44/87/532424487.db2.gz OLAJMUDNRHGDPP-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649790151 532425068 /nfs/dbraw/zinc/42/50/68/532425068.db2.gz KQONITREHRNNRR-MRXNPFEDSA-N 1 0 395.301 2.193 20 0 GEADRO Cc1csc(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1Cl ZINC000517739039 532425314 /nfs/dbraw/zinc/42/53/14/532425314.db2.gz IJQYMRHSMBZNRO-QWHCGFSZSA-N 1 0 382.917 2.070 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000281590021 532425329 /nfs/dbraw/zinc/42/53/29/532425329.db2.gz ZBXTYPYFVBRXBM-UHFFFAOYSA-N 1 0 386.265 2.471 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1Cl ZINC000517741150 532425835 /nfs/dbraw/zinc/42/58/35/532425835.db2.gz CFKFQKWKCSPOIW-ZDUSSCGKSA-N 1 0 385.313 2.280 20 0 GEADRO O=C(C[NH2+]C1(C2CCC2)CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000649805997 532425872 /nfs/dbraw/zinc/42/58/72/532425872.db2.gz JNLAQLJQMJAYKL-HNNXBMFYSA-N 1 0 382.551 2.186 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000625420480 532425918 /nfs/dbraw/zinc/42/59/18/532425918.db2.gz GHBNXTQYFVMKGF-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO C[C@@H](C[NH2+]Cc1ccc(I)cc1)CN1CC[NH+](C)CC1 ZINC000295264050 532428080 /nfs/dbraw/zinc/42/80/80/532428080.db2.gz VFAYYTSAFIMVPQ-AWEZNQCLSA-N 1 0 387.309 2.264 20 0 GEADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000625455146 532428528 /nfs/dbraw/zinc/42/85/28/532428528.db2.gz KFXPWNINPYINKU-LBPRGKRZSA-N 1 0 375.416 2.080 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCc3cccc(CC[NH3+])c32)cs1 ZINC000373051484 532428905 /nfs/dbraw/zinc/42/89/05/532428905.db2.gz JIURFRBSEMNYOD-UHFFFAOYSA-N 1 0 380.491 2.177 20 0 GEADRO C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccnn3CC[NH+](C)C)cc(Cl)c2O1 ZINC000295266829 532427545 /nfs/dbraw/zinc/42/75/45/532427545.db2.gz YVEXOGSSYSFWDU-LLVKDONJSA-N 1 0 384.889 2.222 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193635592 532427658 /nfs/dbraw/zinc/42/76/58/532427658.db2.gz AKHMOTJCXRASSL-PHIMTYICSA-N 1 0 386.279 2.212 20 0 GEADRO C[NH+](C)CC1(NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CCC1 ZINC000466571021 532430051 /nfs/dbraw/zinc/43/00/51/532430051.db2.gz ZSGNLFYOMKQNLN-ZDUSSCGKSA-N 1 0 380.286 2.475 20 0 GEADRO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696024 532430400 /nfs/dbraw/zinc/43/04/00/532430400.db2.gz OKFXMRMZGNQDBR-NEPJUHHUSA-N 1 0 387.297 2.221 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373065429 532430380 /nfs/dbraw/zinc/43/03/80/532430380.db2.gz GWGGIHPPABHZCY-LQQXQJGASA-N 1 0 393.281 2.444 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427689809 532430961 /nfs/dbraw/zinc/43/09/61/532430961.db2.gz QOEWAMYOLZGIBY-IUODEOHRSA-N 1 0 377.432 2.491 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000561202104 532431620 /nfs/dbraw/zinc/43/16/20/532431620.db2.gz VWDZIGKKWDABBU-RISCZKNCSA-N 1 0 385.295 2.479 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000561203330 532431677 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CCC(CC)(CCO)[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000282412636 532465827 /nfs/dbraw/zinc/46/58/27/532465827.db2.gz IQVREBPQTJKGHT-UHFFFAOYSA-N 1 0 378.441 2.152 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000373739980 532466221 /nfs/dbraw/zinc/46/62/21/532466221.db2.gz CUUOTUNJQMDYNA-ZDUSSCGKSA-N 1 0 385.302 2.109 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428966552 532466552 /nfs/dbraw/zinc/46/65/52/532466552.db2.gz KQYFKSMLJOSCAU-OBJOEFQTSA-N 1 0 382.302 2.072 20 0 GEADRO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c(Cl)cnn1C ZINC000373733953 532467111 /nfs/dbraw/zinc/46/71/11/532467111.db2.gz AFPHZWMGZUFEOL-HNNXBMFYSA-N 1 0 382.917 2.359 20 0 GEADRO CN1CCOC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000628453099 532467764 /nfs/dbraw/zinc/46/77/64/532467764.db2.gz IITNWSYYKREHEM-NSHDSACASA-N 1 0 393.123 2.214 20 0 GEADRO CC1=C(Br)CN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000373782558 532468092 /nfs/dbraw/zinc/46/80/92/532468092.db2.gz LJVUTDAVDONENV-CQSZACIVSA-N 1 0 385.350 2.239 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000468545675 532468075 /nfs/dbraw/zinc/46/80/75/532468075.db2.gz ZKRMSRDRXQDGPW-MGPQQGTHSA-N 1 0 387.571 2.317 20 0 GEADRO C[NH+](C)CCN1CCN(c2ncc(Br)cc2C(F)(F)F)CC1=O ZINC000651382310 532468572 /nfs/dbraw/zinc/46/85/72/532468572.db2.gz GCQRCKVLGJJUHX-UHFFFAOYSA-N 1 0 395.223 2.073 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000684176676 532471048 /nfs/dbraw/zinc/47/10/48/532471048.db2.gz WRVOCKWBYPGMJM-OAHLLOKOSA-N 1 0 391.331 2.356 20 0 GEADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H]3CNc4ccnn4C3)nc12 ZINC000684198240 532471258 /nfs/dbraw/zinc/47/12/58/532471258.db2.gz AHWJKLYLIVSBHY-GFCCVEGCSA-N 1 0 375.274 2.433 20 0 GEADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@H](O)C(F)F)CC1 ZINC000429221952 532472005 /nfs/dbraw/zinc/47/20/05/532472005.db2.gz LPNJGXPMFUIIQH-AWEZNQCLSA-N 1 0 376.835 2.229 20 0 GEADRO O=c1cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)nc2ccc(Br)cn12 ZINC000562554708 532472165 /nfs/dbraw/zinc/47/21/65/532472165.db2.gz ZEVQDTRTMXIPKC-QAPCUYQASA-N 1 0 392.297 2.344 20 0 GEADRO CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCNC1=O ZINC000282508267 532472226 /nfs/dbraw/zinc/47/22/26/532472226.db2.gz XFQGZPRRABLEED-DGCLKSJQSA-N 1 0 391.693 2.053 20 0 GEADRO Cc1nc[nH]c1CC(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628683713 532472349 /nfs/dbraw/zinc/47/23/49/532472349.db2.gz WZBOQJUAORIYON-QGZVFWFLSA-N 1 0 378.270 2.059 20 0 GEADRO CCN(CC)[C@@H](CNS(=O)(=O)CC1(OC)CCOCC1)c1ccsc1 ZINC000651517617 532472817 /nfs/dbraw/zinc/47/28/17/532472817.db2.gz SPAHHYHVMXBMND-INIZCTEOSA-N 1 0 390.571 2.246 20 0 GEADRO Oc1cccc2c1C[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C2 ZINC000429317621 532473078 /nfs/dbraw/zinc/47/30/78/532473078.db2.gz ZJVFRKKOPONBPH-GFCCVEGCSA-N 1 0 386.253 2.387 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000519760044 532476681 /nfs/dbraw/zinc/47/66/81/532476681.db2.gz OOFJTIGUDYXRFT-JSGCOSHPSA-N 1 0 389.279 2.393 20 0 GEADRO CCCC[C@@H]([NH3+])C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000236751570 532496687 /nfs/dbraw/zinc/49/66/87/532496687.db2.gz STWPAJPKDIMJDZ-OAHLLOKOSA-N 1 0 387.571 2.099 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000429417545 532476942 /nfs/dbraw/zinc/47/69/42/532476942.db2.gz GYTNNRGXSOWVLD-TZMCWYRMSA-N 1 0 378.332 2.013 20 0 GEADRO COCCCn1nccc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000282553266 532477059 /nfs/dbraw/zinc/47/70/59/532477059.db2.gz CUFRVCVYPHRLLN-UHFFFAOYSA-N 1 0 395.301 2.202 20 0 GEADRO C[N@H+](CC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@H]1CCSC1 ZINC000628906835 532477380 /nfs/dbraw/zinc/47/73/80/532477380.db2.gz YOWBIWZOXFGUEZ-GXTWGEPZSA-N 1 0 385.892 2.138 20 0 GEADRO O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000651569197 532478443 /nfs/dbraw/zinc/47/84/43/532478443.db2.gz NZLYLROCNPXXRJ-LLVKDONJSA-N 1 0 387.354 2.321 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NCC[NH+]3CCCC3)n2)s1 ZINC000651574011 532478450 /nfs/dbraw/zinc/47/84/50/532478450.db2.gz RTNQZMOVUONZPD-UHFFFAOYSA-N 1 0 379.511 2.034 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000195480366 532478619 /nfs/dbraw/zinc/47/86/19/532478619.db2.gz BTSJBJAFRCCRKN-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2c(Br)cnn2C)on1 ZINC000684401687 532479020 /nfs/dbraw/zinc/47/90/20/532479020.db2.gz SVJQFAWASFXLRD-RYUDHWBXSA-N 1 0 386.269 2.181 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000562718866 532479348 /nfs/dbraw/zinc/47/93/48/532479348.db2.gz LPMFTOUSDBOBLA-YOEHRIQHSA-N 1 0 379.551 2.434 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@H](O)CC1 ZINC000296040357 532496756 /nfs/dbraw/zinc/49/67/56/532496756.db2.gz OAZIOMWLSYVMMO-WFASDCNBSA-N 1 0 385.302 2.309 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]CC2(c3cccc(Br)c3)CC2)nn1 ZINC000295817191 532479453 /nfs/dbraw/zinc/47/94/53/532479453.db2.gz UMSGZWRMPXXIAB-UHFFFAOYSA-N 1 0 379.258 2.035 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000429541239 532480258 /nfs/dbraw/zinc/48/02/58/532480258.db2.gz OKALWVIPZDLXEZ-IUODEOHRSA-N 1 0 384.318 2.399 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Br)sc1Br ZINC000629173847 532482299 /nfs/dbraw/zinc/48/22/99/532482299.db2.gz JREDQJJCSQDAIS-SSDOTTSWSA-N 1 0 398.120 2.070 20 0 GEADRO O=C(Nc1nnc2ccc(Br)cn21)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000295873434 532484048 /nfs/dbraw/zinc/48/40/48/532484048.db2.gz LNKAXJHUJWADEN-CYBMUJFWSA-N 1 0 394.273 2.074 20 0 GEADRO [NH3+]C1(CNC(=O)NCc2n[nH]cc2Br)C2CC3CC(C2)CC1C3 ZINC000562804170 532484111 /nfs/dbraw/zinc/48/41/11/532484111.db2.gz SWLQIUUTHIPBOQ-UHFFFAOYSA-N 1 0 382.306 2.125 20 0 GEADRO Cc1c(Br)ccnc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000562791264 532484157 /nfs/dbraw/zinc/48/41/57/532484157.db2.gz UKBXSSJIFXYHTG-LLVKDONJSA-N 1 0 385.306 2.461 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468984772 532484468 /nfs/dbraw/zinc/48/44/68/532484468.db2.gz MMFAWTHRZNGALI-CQSZACIVSA-N 1 0 380.286 2.429 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000236746894 532496986 /nfs/dbraw/zinc/49/69/86/532496986.db2.gz GMEAXVNQGNRZFE-LLVKDONJSA-N 1 0 378.336 2.311 20 0 GEADRO COC[C@]1(CNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCC[NH2+]1 ZINC000562812428 532484593 /nfs/dbraw/zinc/48/45/93/532484593.db2.gz XXABHHHCNNZTOW-ZMSDIMECSA-N 1 0 382.302 2.373 20 0 GEADRO OCCOC1(C[NH2+]Cc2c(F)ccc(Br)c2F)CCOCC1 ZINC000282654839 532485028 /nfs/dbraw/zinc/48/50/28/532485028.db2.gz LJSMVRZHGOEGNL-UHFFFAOYSA-N 1 0 380.229 2.375 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000562837588 532485042 /nfs/dbraw/zinc/48/50/42/532485042.db2.gz PCPQJRUGMRYRAJ-HIFRSBDPSA-N 1 0 391.317 2.389 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000562821771 532485119 /nfs/dbraw/zinc/48/51/19/532485119.db2.gz OMLSTTLWZJFJGP-UHFFFAOYSA-N 1 0 398.345 2.347 20 0 GEADRO O=C(Nc1cc2ccc(Br)cn2n1)NC1CC[NH+](C2CC2)CC1 ZINC000429952373 532485498 /nfs/dbraw/zinc/48/54/98/532485498.db2.gz SDXPFROAUPSDRB-UHFFFAOYSA-N 1 0 378.274 2.845 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000651683423 532487236 /nfs/dbraw/zinc/48/72/36/532487236.db2.gz HPZYIUOGQABDNM-ZDUSSCGKSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000651689587 532487586 /nfs/dbraw/zinc/48/75/86/532487586.db2.gz BJKQIQUJBLGWIA-ZDUSSCGKSA-N 1 0 383.290 2.080 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1 ZINC000593563250 532488198 /nfs/dbraw/zinc/48/81/98/532488198.db2.gz NBTFYUIHYNSHLJ-SFHVURJKSA-N 1 0 385.961 2.270 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000374084355 532489153 /nfs/dbraw/zinc/48/91/53/532489153.db2.gz PJGQYFIUROGSHZ-JOYOIKCWSA-N 1 0 379.707 2.475 20 0 GEADRO C[C@@H](CNC(=O)CNC(=O)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000520361607 532489798 /nfs/dbraw/zinc/48/97/98/532489798.db2.gz MWKMVLFNCAMIDL-AWEZNQCLSA-N 1 0 396.329 2.417 20 0 GEADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1nnc2ccc(Br)cn21 ZINC000295963221 532490431 /nfs/dbraw/zinc/49/04/31/532490431.db2.gz RVKMPWXNQIVVOT-AWEZNQCLSA-N 1 0 396.289 2.224 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc[nH]c(=O)c1Br ZINC000469090587 532490497 /nfs/dbraw/zinc/49/04/97/532490497.db2.gz WJCZWFWEUBRIGS-CYBMUJFWSA-N 1 0 378.270 2.452 20 0 GEADRO CS[C@H]1CN(C(=O)C2(c3cncc(Br)c3)CC2)C[C@@H]1[NH+](C)C ZINC000282722132 532490918 /nfs/dbraw/zinc/49/09/18/532490918.db2.gz LSOOXZDONTTYPW-KBPBESRZSA-N 1 0 384.343 2.380 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCNC[C@H]1c1ccccc1Cl ZINC000374307975 532497160 /nfs/dbraw/zinc/49/71/60/532497160.db2.gz CYPAVRFGCORBPI-ZDUSSCGKSA-N 1 0 389.308 2.371 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000520376355 532492274 /nfs/dbraw/zinc/49/22/74/532492274.db2.gz PWAJOXAZTIKTQS-LERXQTSPSA-N 1 0 385.295 2.396 20 0 GEADRO CCc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)n2)s1 ZINC000520415643 532492406 /nfs/dbraw/zinc/49/24/06/532492406.db2.gz UMBWRVWNDUUAGU-NSHDSACASA-N 1 0 378.523 2.440 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cnn(-c2cc(Cl)ccc2OC)c1 ZINC000236682102 532492780 /nfs/dbraw/zinc/49/27/80/532492780.db2.gz FVVKGUIAIPPOOS-ZDUSSCGKSA-N 1 0 386.905 2.330 20 0 GEADRO O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCC[NH2+]CC2)CC1 ZINC000236664627 532493451 /nfs/dbraw/zinc/49/34/51/532493451.db2.gz HEXDRUDHIIHNQK-UHFFFAOYSA-N 1 0 394.313 2.123 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000520426871 532493541 /nfs/dbraw/zinc/49/35/41/532493541.db2.gz UDUGQRJLEZNKBW-AWEZNQCLSA-N 1 0 387.933 2.228 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)Nc1cccc(Br)c1 ZINC000374223430 532494130 /nfs/dbraw/zinc/49/41/30/532494130.db2.gz XOXCCHLHZVMSSJ-BLLLJJGKSA-N 1 0 382.302 2.229 20 0 GEADRO O=C(CCNC(=O)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc(Br)cc1 ZINC000236719012 532495410 /nfs/dbraw/zinc/49/54/10/532495410.db2.gz OOJDSRXLDJXMJJ-AWEZNQCLSA-N 1 0 380.286 2.284 20 0 GEADRO CC(C)(CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000563047630 532495971 /nfs/dbraw/zinc/49/59/71/532495971.db2.gz VSXNOISTXFPDHM-HNNXBMFYSA-N 1 0 396.329 2.101 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000236747237 532496351 /nfs/dbraw/zinc/49/63/51/532496351.db2.gz GVIXOTZPTBKTTP-HZPDHXFCSA-N 1 0 383.286 2.118 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000236736743 532496363 /nfs/dbraw/zinc/49/63/63/532496363.db2.gz ZECWKPIWSKJPOW-NSHDSACASA-N 1 0 390.347 2.414 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000236763030 532496520 /nfs/dbraw/zinc/49/65/20/532496520.db2.gz JXBSECOIXJEVCM-SECBINFHSA-N 1 0 376.320 2.263 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000468813754 532475658 /nfs/dbraw/zinc/47/56/58/532475658.db2.gz CMNFYSXKUXKXEI-AWEZNQCLSA-N 1 0 385.555 2.025 20 0 GEADRO O=S(=O)(CC[NH+]1CCCC1)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000374423115 532502440 /nfs/dbraw/zinc/50/24/40/532502440.db2.gz MEZJGGUVEIAYMJ-OAHLLOKOSA-N 1 0 381.523 2.095 20 0 GEADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000563376427 532502456 /nfs/dbraw/zinc/50/24/56/532502456.db2.gz MIMASTICVXIYND-CQSZACIVSA-N 1 0 387.933 2.372 20 0 GEADRO O=C(C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)N1CCCC1 ZINC000374413045 532502741 /nfs/dbraw/zinc/50/27/41/532502741.db2.gz WUBXGLOXSOYOST-UHFFFAOYSA-N 1 0 395.301 2.117 20 0 GEADRO O=S(=O)(CC[NH+]1CCCC1)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000374423114 532502908 /nfs/dbraw/zinc/50/29/08/532502908.db2.gz MEZJGGUVEIAYMJ-HNNXBMFYSA-N 1 0 381.523 2.095 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCC1(C[NH3+])CC1 ZINC000593915397 532502980 /nfs/dbraw/zinc/50/29/80/532502980.db2.gz WXHADYBXHHXAJD-HNNXBMFYSA-N 1 0 383.945 2.437 20 0 GEADRO CCO[C@@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)C[C@H]1C[NH3+] ZINC000593916735 532503180 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COc1ccc(Br)c(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000652383065 532509867 /nfs/dbraw/zinc/50/98/67/532509867.db2.gz SHBMNKBJCRDYHY-UHFFFAOYSA-N 1 0 377.304 2.207 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 ZINC000237658386 532509896 /nfs/dbraw/zinc/50/98/96/532509896.db2.gz IUUFURGZQLIGEV-GOSISDBHSA-N 1 0 389.297 2.367 20 0 GEADRO Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)s1 ZINC000237664165 532510126 /nfs/dbraw/zinc/51/01/26/532510126.db2.gz XYOBEPNGNNURIW-GJZGRUSLSA-N 1 0 379.507 2.036 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2c(C)cccc2Br)CC1 ZINC000563791631 532510499 /nfs/dbraw/zinc/51/04/99/532510499.db2.gz YBMWETKORKOHFD-UHFFFAOYSA-N 1 0 396.329 2.384 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000652390260 532511174 /nfs/dbraw/zinc/51/11/74/532511174.db2.gz FXODDDWXWJDBRH-GJZGRUSLSA-N 1 0 397.313 2.278 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(F)c(F)cc1I ZINC000237710998 532511310 /nfs/dbraw/zinc/51/13/10/532511310.db2.gz 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C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c2cccnc12)[NH+](C)C ZINC000282849217 532501877 /nfs/dbraw/zinc/50/18/77/532501877.db2.gz LMLOXMHMPZKBQY-JTQLQIEISA-N 1 0 379.258 2.002 20 0 GEADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000629788022 532502070 /nfs/dbraw/zinc/50/20/70/532502070.db2.gz BXSJULSZVHXLSV-OAHLLOKOSA-N 1 0 388.295 2.091 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000469357575 532502072 /nfs/dbraw/zinc/50/20/72/532502072.db2.gz CYVNCVWBJJPLOU-AWEZNQCLSA-N 1 0 390.933 2.470 20 0 GEADRO NC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000564858942 532535733 /nfs/dbraw/zinc/53/57/33/532535733.db2.gz AUYPHIZHOXXWGD-USWWRNFRSA-N 1 0 391.693 2.086 20 0 GEADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000564858505 532536208 /nfs/dbraw/zinc/53/62/08/532536208.db2.gz LMRJWLRATHHGIU-UMVBOHGHSA-N 1 0 385.302 2.070 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000470829139 532536443 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CCC[C@@H]1C[NH2+]CCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000564951292 532539674 /nfs/dbraw/zinc/53/96/74/532539674.db2.gz WABMMLYWGAKJSR-LLVKDONJSA-N 1 0 398.248 2.382 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])C2=O)ccc1Br ZINC000564936116 532539900 /nfs/dbraw/zinc/53/99/00/532539900.db2.gz DJVCFBPVNCEFML-XUJVJEKNSA-N 1 0 397.317 2.288 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000246513447 532540590 /nfs/dbraw/zinc/54/05/90/532540590.db2.gz QSMPIOCIPXMZOZ-WOSRLPQWSA-N 1 0 394.313 2.436 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000246513467 532540721 /nfs/dbraw/zinc/54/07/21/532540721.db2.gz QSMPIOCIPXMZOZ-ZENOOKHLSA-N 1 0 394.313 2.436 20 0 GEADRO Cc1nccc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000526097761 532540740 /nfs/dbraw/zinc/54/07/40/532540740.db2.gz XQSPKYXGDGRETO-TXEJJXNPSA-N 1 0 385.306 2.195 20 0 GEADRO CCC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000296772786 532540799 /nfs/dbraw/zinc/54/07/99/532540799.db2.gz MUBRGRHODNUIKA-INIZCTEOSA-N 1 0 384.318 2.166 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000246529081 532541116 /nfs/dbraw/zinc/54/11/16/532541116.db2.gz RTLQAJHTUMIPOS-FPMFFAJLSA-N 1 0 395.301 2.149 20 0 GEADRO CCCCN(C(=O)CN1CCCC[C@@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246641311 532543160 /nfs/dbraw/zinc/54/31/60/532543160.db2.gz PNYIEOKEZOIXDE-IAGOWNOFSA-N 1 0 390.615 2.410 20 0 GEADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000375245905 532543483 /nfs/dbraw/zinc/54/34/83/532543483.db2.gz QBHGHWMSHAXYTQ-CRWXNKLISA-N 1 0 392.297 2.283 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000565038414 532543734 /nfs/dbraw/zinc/54/37/34/532543734.db2.gz QOPTTZUMQCWMHO-SJORKVTESA-N 1 0 380.330 2.481 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)ccc1Cl ZINC000631139726 532544620 /nfs/dbraw/zinc/54/46/20/532544620.db2.gz SMAJUMOFIDPQIC-YJBOKZPZSA-N 1 0 380.897 2.243 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)NCc2ccsc2Br)CC1 ZINC000374835380 532520709 /nfs/dbraw/zinc/52/07/09/532520709.db2.gz WOZZXDBRZRDHIO-UHFFFAOYSA-N 1 0 390.347 2.499 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(c2cccc(OC(F)(F)F)c2S(N)(=O)=O)C1 ZINC000631136745 532544855 /nfs/dbraw/zinc/54/48/55/532544855.db2.gz OSSKXXRFVQENBZ-NSHDSACASA-N 1 0 381.420 2.011 20 0 GEADRO O=C(C[C@@H]1CSCCS1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000245578722 532521291 /nfs/dbraw/zinc/52/12/91/532521291.db2.gz HKZLFLQWPYKVOQ-KSZLIROESA-N 1 0 380.579 2.224 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)C1 ZINC000296448666 532521540 /nfs/dbraw/zinc/52/15/40/532521540.db2.gz MPRISSBNZCFWAM-HZPDHXFCSA-N 1 0 388.327 2.356 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2COc3ccc(Br)cc32)C1 ZINC000245590565 532522187 /nfs/dbraw/zinc/52/21/87/532522187.db2.gz GFIRYCVBSVDWEF-ZBFHGGJFSA-N 1 0 397.313 2.398 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cncc(I)c1 ZINC000470181999 532522890 /nfs/dbraw/zinc/52/28/90/532522890.db2.gz IMRLLFZFJLVQKX-AWEZNQCLSA-N 1 0 385.249 2.433 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C=O)cc3Br)[C@@H]2C1 ZINC000374893481 532523068 /nfs/dbraw/zinc/52/30/68/532523068.db2.gz JGVGJNWPNGYFJV-UKRRQHHQSA-N 1 0 381.270 2.193 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@H]1[NH+](C)C ZINC000564359131 532523108 /nfs/dbraw/zinc/52/31/08/532523108.db2.gz ZSQBXSOQXMIDGO-VXGBXAGGSA-N 1 0 379.345 2.115 20 0 GEADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000470188905 532523127 /nfs/dbraw/zinc/52/31/27/532523127.db2.gz BLOUKZGVXJPLFC-KGLIPLIRSA-N 1 0 385.555 2.187 20 0 GEADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1c(Cl)cc(F)cc1Cl ZINC000431927225 532523849 /nfs/dbraw/zinc/52/38/49/532523849.db2.gz XOHXHKVRLDBBGT-UHFFFAOYSA-N 1 0 392.302 2.252 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000470240696 532524034 /nfs/dbraw/zinc/52/40/34/532524034.db2.gz YGSSAIZIYAGNBE-LBPRGKRZSA-N 1 0 387.265 2.423 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000283174581 532524191 /nfs/dbraw/zinc/52/41/91/532524191.db2.gz XMEJFXNUUXVNMU-SNVBAGLBSA-N 1 0 393.962 2.289 20 0 GEADRO CS[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000296513055 532526135 /nfs/dbraw/zinc/52/61/35/532526135.db2.gz MEUDSYPSFDIYGG-HNNXBMFYSA-N 1 0 379.551 2.138 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375018267 532528211 /nfs/dbraw/zinc/52/82/11/532528211.db2.gz IVHFINWYCLFQSX-RHSMWYFYSA-N 1 0 380.330 2.434 20 0 GEADRO CC1(C)[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@H]2CCCO[C@H]21 ZINC000245935392 532528307 /nfs/dbraw/zinc/52/83/07/532528307.db2.gz TVXQFWIVSFYGCF-BFHYXJOUSA-N 1 0 384.464 2.341 20 0 GEADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000524024208 532528414 /nfs/dbraw/zinc/52/84/14/532528414.db2.gz VXGSGQUBJICNAQ-GFCCVEGCSA-N 1 0 388.295 2.041 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245967573 532528891 /nfs/dbraw/zinc/52/88/91/532528891.db2.gz VVQJXGGAEJDWCO-ABAIWWIYSA-N 1 0 388.249 2.465 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@H]1C[NH3+] ZINC000246001325 532529012 /nfs/dbraw/zinc/52/90/12/532529012.db2.gz RVXWEJUKHQFBFD-PELKAZGASA-N 1 0 383.258 2.475 20 0 GEADRO Cn1ccnc1[C@H]1N(C(=O)NCCn2cc(Br)cn2)CC1(C)C ZINC000296588601 532530310 /nfs/dbraw/zinc/53/03/10/532530310.db2.gz KCQYLMDBVNMQGF-GFCCVEGCSA-N 1 0 381.278 2.172 20 0 GEADRO C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000653095863 532532076 /nfs/dbraw/zinc/53/20/76/532532076.db2.gz YMSANJBAHFXUNJ-INIZCTEOSA-N 1 0 394.317 2.106 20 0 GEADRO CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000564829838 532532280 /nfs/dbraw/zinc/53/22/80/532532280.db2.gz BHLWNUBORVNAJK-RISCZKNCSA-N 1 0 382.555 2.496 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCc2cc(Br)ccc2F)C[C@@H](C)O1 ZINC000564846196 532534197 /nfs/dbraw/zinc/53/41/97/532534197.db2.gz IJCGSLROQXFPNT-XJKCOSOUSA-N 1 0 389.309 2.190 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Br)c2nccn2c1 ZINC000630931574 532534565 /nfs/dbraw/zinc/53/45/65/532534565.db2.gz SBDUMELJCKHCSI-CQSZACIVSA-N 1 0 395.301 2.280 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCc2ccc(I)cc2)C1 ZINC000595264905 532550230 /nfs/dbraw/zinc/55/02/30/532550230.db2.gz GYDMZGPJNSUVEN-UONOGXRCSA-N 1 0 387.265 2.403 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCCc2ccc(I)cc2)CC[NH2+]1 ZINC000595265306 532550384 /nfs/dbraw/zinc/55/03/84/532550384.db2.gz OBENYCBMYKEKAB-BXUZGUMPSA-N 1 0 387.265 2.273 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000432942208 532550437 /nfs/dbraw/zinc/55/04/37/532550437.db2.gz DHIMZYVQZGYIDO-UHFFFAOYSA-N 1 0 385.302 2.124 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1ccc(I)cc1 ZINC000595265266 532550555 /nfs/dbraw/zinc/55/05/55/532550555.db2.gz NGOUDSYSFBAQMT-RISCZKNCSA-N 1 0 387.265 2.131 20 0 GEADRO O=C(NCCc1ccc(I)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000595272305 532550671 /nfs/dbraw/zinc/55/06/71/532550671.db2.gz CBZBNOXLJGGVLH-HIFRSBDPSA-N 1 0 399.276 2.227 20 0 GEADRO CCC[NH2+]CCNC(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000595265156 532550697 /nfs/dbraw/zinc/55/06/97/532550697.db2.gz KSJHQJPFRWDCKR-UHFFFAOYSA-N 1 0 390.303 2.322 20 0 GEADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc([C@H]2CCCO2)s1)C1CC1 ZINC000631252944 532551456 /nfs/dbraw/zinc/55/14/56/532551456.db2.gz BPBPTHRBYHSSOQ-BZUAXINKSA-N 1 0 385.555 2.477 20 0 GEADRO C[C@H]1CN(C(=O)NCCc2ccc(I)cc2)CC[C@@H]1[NH3+] ZINC000595274611 532551832 /nfs/dbraw/zinc/55/18/32/532551832.db2.gz YCSMSIKUYSYQMT-FZMZJTMJSA-N 1 0 387.265 2.212 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCCc1ccc(I)cc1)C(F)F ZINC000595274778 532551873 /nfs/dbraw/zinc/55/18/73/532551873.db2.gz VPCWOPIKXLWFHX-NSHDSACASA-N 1 0 397.207 2.115 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1ccc(I)cc1 ZINC000595273692 532551893 /nfs/dbraw/zinc/55/18/93/532551893.db2.gz QEZFXKADZREIHY-DGCLKSJQSA-N 1 0 387.265 2.212 20 0 GEADRO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nnn1-c1cccc(Br)c1 ZINC000248632885 532552851 /nfs/dbraw/zinc/55/28/51/532552851.db2.gz PODCPKZYEBBAQQ-TUKIKUTGSA-N 1 0 390.285 2.148 20 0 GEADRO COc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)c(I)c1 ZINC000471601808 532552892 /nfs/dbraw/zinc/55/28/92/532552892.db2.gz LIMWSKJVNYFDQW-NSHDSACASA-N 1 0 388.249 2.466 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1Cl ZINC000527734168 532553012 /nfs/dbraw/zinc/55/30/12/532553012.db2.gz DRWDXEKPKKLXGZ-LBPRGKRZSA-N 1 0 382.795 2.077 20 0 GEADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000248655051 532554985 /nfs/dbraw/zinc/55/49/85/532554985.db2.gz AWMOOZGYADXFEY-ZBFHGGJFSA-N 1 0 386.587 2.182 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC12CC(C1)CO2 ZINC000527790287 532555226 /nfs/dbraw/zinc/55/52/26/532555226.db2.gz LLXCMTPKHPKPRU-ZBFVHZJFSA-N 1 0 383.286 2.231 20 0 GEADRO CN(Cc1cc(Br)ccc1F)C(=O)NCCOCC[NH+](C)C ZINC000471660252 532555506 /nfs/dbraw/zinc/55/55/06/532555506.db2.gz WFUITWLVKCNZST-UHFFFAOYSA-N 1 0 376.270 2.308 20 0 GEADRO C[NH+](C)CCOCCNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000471648432 532555553 /nfs/dbraw/zinc/55/55/53/532555553.db2.gz UWDASRJZBUOHLU-UHFFFAOYSA-N 1 0 376.270 2.008 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c[nH]c(=O)s1)c1cccc(OC)c1 ZINC000631689673 532555656 /nfs/dbraw/zinc/55/56/56/532555656.db2.gz CJXNTNOEPGCJMN-CQSZACIVSA-N 1 0 385.511 2.219 20 0 GEADRO C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000631688024 532555856 /nfs/dbraw/zinc/55/58/56/532555856.db2.gz PQMFIIXUIQWJOE-MFKMUULPSA-N 1 0 377.392 2.104 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000631687301 532556101 /nfs/dbraw/zinc/55/61/01/532556101.db2.gz LGQKBCKVMQKWHZ-ZWNOBZJWSA-N 1 0 377.392 2.104 20 0 GEADRO COc1cc(CNS(=O)(=O)CCC[NH+]2CCCC2)ccc1OC(F)F ZINC000631678607 532556288 /nfs/dbraw/zinc/55/62/88/532556288.db2.gz GGPBYJBFLIKRPW-UHFFFAOYSA-N 1 0 378.441 2.202 20 0 GEADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(F)c(Br)cc1F ZINC000527869256 532557082 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NC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249389785 532564920 /nfs/dbraw/zinc/56/49/20/532564920.db2.gz XXHLLCKVQKNBGI-ILXRZTDVSA-N 1 0 380.286 2.188 20 0 GEADRO CCCc1csc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)n1 ZINC000565474129 532565483 /nfs/dbraw/zinc/56/54/83/532565483.db2.gz BHPDMFKIYMVVCK-UHFFFAOYSA-N 1 0 387.571 2.158 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1C(F)F ZINC000528480405 532565480 /nfs/dbraw/zinc/56/54/80/532565480.db2.gz ZNVBAHGGTLGVKK-CYBMUJFWSA-N 1 0 376.473 2.351 20 0 GEADRO O=C(Nc1cccc(I)c1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433375660 532566143 /nfs/dbraw/zinc/56/61/43/532566143.db2.gz HXGFRUDUXLNUER-GFCCVEGCSA-N 1 0 397.220 2.060 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cnc1Br ZINC000375546496 532566425 /nfs/dbraw/zinc/56/64/25/532566425.db2.gz TWOHLCPMYDQGRJ-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000249440764 532566427 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C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1I ZINC000596653449 532602221 /nfs/dbraw/zinc/60/22/21/532602221.db2.gz KLTMIKQQYHSBAG-SECBINFHSA-N 1 0 384.221 2.096 20 0 GEADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC(n3cc(Br)cn3)CC2)C1(C)C ZINC000262794100 532602327 /nfs/dbraw/zinc/60/23/27/532602327.db2.gz PBXISTMAKQDWHQ-PBHICJAKSA-N 1 0 399.333 2.342 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000655907128 532602567 /nfs/dbraw/zinc/60/25/67/532602567.db2.gz HHKOLHZHDHVKEG-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO CSc1ccccc1S(=O)(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376239208 532602686 /nfs/dbraw/zinc/60/26/86/532602686.db2.gz JGXVIDNBTASOKK-OAHLLOKOSA-N 1 0 383.583 2.198 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262810229 532602817 /nfs/dbraw/zinc/60/28/17/532602817.db2.gz FVBGXARVEHWGFP-ZENOOKHLSA-N 1 0 383.945 2.448 20 0 GEADRO COC[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000434791222 532603014 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CCC(CC)[C@H](CNS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)[NH+](C)C ZINC000473932285 532603539 /nfs/dbraw/zinc/60/35/39/532603539.db2.gz LBVQTFWWKBZMSC-AWEZNQCLSA-N 1 0 387.937 2.336 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)C(F)(F)F ZINC000655923152 532603828 /nfs/dbraw/zinc/60/38/28/532603828.db2.gz UZBGSOPGJLKGFV-WDEREUQCSA-N 1 0 384.196 2.061 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2Br)C1)C(F)(F)F ZINC000655916949 532603949 /nfs/dbraw/zinc/60/39/49/532603949.db2.gz LEKODXRZHCZXQY-JOYOIKCWSA-N 1 0 395.223 2.217 20 0 GEADRO CN([C@H]1CC[C@@H](C(F)(F)F)CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632341324 532603952 /nfs/dbraw/zinc/60/39/52/532603952.db2.gz GEZZWLJDXMCEGI-GASCZTMLSA-N 1 0 385.496 2.007 20 0 GEADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000284599672 532604248 /nfs/dbraw/zinc/60/42/48/532604248.db2.gz XJSYZDRKIMJNAS-CYBMUJFWSA-N 1 0 380.901 2.174 20 0 GEADRO [NH3+]C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)C(F)(F)F ZINC000655926734 532604232 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CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000566424458 532607266 /nfs/dbraw/zinc/60/72/66/532607266.db2.gz MMQRUJRSOUUENW-LSDHHAIUSA-N 1 0 385.302 2.035 20 0 GEADRO COC(=O)CCC[NH+]1CCC(N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000566401823 532607340 /nfs/dbraw/zinc/60/73/40/532607340.db2.gz WJXXSUWPDZOZDL-LBPRGKRZSA-N 1 0 385.306 2.307 20 0 GEADRO C[NH+](C)CC1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000632383014 532607377 /nfs/dbraw/zinc/60/73/77/532607377.db2.gz QLCVMNAKHRGKJA-UHFFFAOYSA-N 1 0 381.723 2.426 20 0 GEADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)s1 ZINC000566396219 532607649 /nfs/dbraw/zinc/60/76/49/532607649.db2.gz YOCGQKHCKOVLSJ-XQHKEYJVSA-N 1 0 388.559 2.009 20 0 GEADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000297783635 532608897 /nfs/dbraw/zinc/60/88/97/532608897.db2.gz IBBQOMVPNABMTR-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC[NH2+]1 ZINC000262969278 532609491 /nfs/dbraw/zinc/60/94/91/532609491.db2.gz XKHVTRKABZZZLT-NEPJUHHUSA-N 1 0 399.563 2.158 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000566456354 532609748 /nfs/dbraw/zinc/60/97/48/532609748.db2.gz GEEPLGSHLKWDDK-HNNXBMFYSA-N 1 0 386.334 2.338 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000297881609 532609723 /nfs/dbraw/zinc/60/97/23/532609723.db2.gz GTTAMZYLJCQUFV-XHDPSFHLSA-N 1 0 388.306 2.083 20 0 GEADRO C[C@@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)[NH+]1CC(C)C1 ZINC000566435662 532609773 /nfs/dbraw/zinc/60/97/73/532609773.db2.gz WVMRMOQQXGQXGQ-AWEZNQCLSA-N 1 0 396.329 2.254 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CCC(O)(c3cccc(Cl)c3)CC2)C1 ZINC000376371748 532610271 /nfs/dbraw/zinc/61/02/71/532610271.db2.gz VYLDOFSBNITMJA-NNGSBXSVSA-N 1 0 386.945 2.341 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263015846 532610281 /nfs/dbraw/zinc/61/02/81/532610281.db2.gz QIWJYAUVMYMTGP-MLGOLLRUSA-N 1 0 383.290 2.149 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1CN1CC[N@@H+](CCO)C[C@H]1C ZINC000656263011 532610499 /nfs/dbraw/zinc/61/04/99/532610499.db2.gz XOBYNEGVCPSSQO-CQSZACIVSA-N 1 0 393.329 2.442 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000435216722 532610678 /nfs/dbraw/zinc/61/06/78/532610678.db2.gz LJUAQVADNASEFN-SECBINFHSA-N 1 0 383.258 2.442 20 0 GEADRO Cc1cccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c1Br ZINC000435228309 532610955 /nfs/dbraw/zinc/61/09/55/532610955.db2.gz VMOIERCAPHRLFG-AWEZNQCLSA-N 1 0 393.372 2.473 20 0 GEADRO CC(=O)NCC(=O)N1CCCN(C[C@H](C)c2cccc(Br)c2)CC1 ZINC000529666324 532611663 /nfs/dbraw/zinc/61/16/63/532611663.db2.gz WPJODMINIONHKC-AWEZNQCLSA-N 1 0 396.329 2.223 20 0 GEADRO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435245549 532611993 /nfs/dbraw/zinc/61/19/93/532611993.db2.gz CHBBFGGHZYCKMT-KBPBESRZSA-N 1 0 392.297 2.155 20 0 GEADRO C[C@H]1COCCN1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000566492583 532612356 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O=S(=O)(Cc1ncsc1Br)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000632539420 532623042 /nfs/dbraw/zinc/62/30/42/532623042.db2.gz HJIVSKHVUBDZEE-ZYHUDNBSSA-N 1 0 394.360 2.342 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(F)cc1Cl ZINC000376644575 532623070 /nfs/dbraw/zinc/62/30/70/532623070.db2.gz RBPVRBBOUXSGDO-NSHDSACASA-N 1 0 390.864 2.125 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435625233 532623268 /nfs/dbraw/zinc/62/32/68/532623268.db2.gz ZWRUVGSRJJEVQB-MRXNPFEDSA-N 1 0 398.345 2.360 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000284807958 532623455 /nfs/dbraw/zinc/62/34/55/532623455.db2.gz QCSJPOZFNIQSFU-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1COCCN1CC(F)F)c1ccsc1 ZINC000474626510 532623820 /nfs/dbraw/zinc/62/38/20/532623820.db2.gz AGHWIFKFGYIICY-HUUCEWRRSA-N 1 0 375.485 2.213 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000436047814 532624312 /nfs/dbraw/zinc/62/43/12/532624312.db2.gz FMIAUCUOCMSEKD-CYBMUJFWSA-N 1 0 387.311 2.251 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000474670813 532624808 /nfs/dbraw/zinc/62/48/08/532624808.db2.gz HHFBEQVFKZOXJL-SWLSCSKDSA-N 1 0 397.317 2.149 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(Cc3nc(-c4cc(Br)cs4)no3)[C@H]2C1 ZINC000284855359 532625760 /nfs/dbraw/zinc/62/57/60/532625760.db2.gz OSKMRRDBRHQQKO-NWDGAFQWSA-N 1 0 399.314 2.466 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000632559214 532626029 /nfs/dbraw/zinc/62/60/29/532626029.db2.gz DAJBSJWBOGKROG-OAHLLOKOSA-N 1 0 391.331 2.104 20 0 GEADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566733162 532626214 /nfs/dbraw/zinc/62/62/14/532626214.db2.gz QRDNZSNTAUDUGN-KRWDZBQOSA-N 1 0 381.270 2.436 20 0 GEADRO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000474724035 532626656 /nfs/dbraw/zinc/62/66/56/532626656.db2.gz VDVYXGHATXPXLY-GOEBONIOSA-N 1 0 388.555 2.064 20 0 GEADRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(I)c(Cl)c2)CC1 ZINC000436117586 532627109 /nfs/dbraw/zinc/62/71/09/532627109.db2.gz YCKDOUOOMAHJFT-LLVKDONJSA-N 1 0 394.684 2.443 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000376741827 532627181 /nfs/dbraw/zinc/62/71/81/532627181.db2.gz JTPVLBHAUDMZPS-HNNXBMFYSA-N 1 0 385.873 2.206 20 0 GEADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566845773 532628129 /nfs/dbraw/zinc/62/81/29/532628129.db2.gz MRXFXFUPMAJYHC-BETUJISGSA-N 1 0 377.286 2.334 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376775709 532628332 /nfs/dbraw/zinc/62/83/32/532628332.db2.gz FOHGFVLLRVVTCL-ZDUSSCGKSA-N 1 0 397.850 2.027 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000566846144 532628395 /nfs/dbraw/zinc/62/83/95/532628395.db2.gz QOHFVHROPQSSOF-OAHLLOKOSA-N 1 0 397.317 2.012 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cc(Cl)ccc1Br ZINC000566911900 532629647 /nfs/dbraw/zinc/62/96/47/532629647.db2.gz RJRJTKRKLSOXMS-CQSZACIVSA-N 1 0 378.698 2.214 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000566909038 532629663 /nfs/dbraw/zinc/62/96/63/532629663.db2.gz GEROUWOLGCGCFK-BBRMVZONSA-N 1 0 394.313 2.310 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000376813343 532630413 /nfs/dbraw/zinc/63/04/13/532630413.db2.gz BNNVSVJYGHNMAV-UHFFFAOYSA-N 1 0 395.301 2.186 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000530806472 532630495 /nfs/dbraw/zinc/63/04/95/532630495.db2.gz SJZCYYIQWZVOER-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO O=C(c1cccc(Br)n1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000376834157 532631482 /nfs/dbraw/zinc/63/14/82/532631482.db2.gz WIICDAMNVNAWLM-UHFFFAOYSA-N 1 0 382.302 2.419 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)c(Cl)n1C ZINC000263649438 532631679 /nfs/dbraw/zinc/63/16/79/532631679.db2.gz DIBYTTYASRVRLR-LBPRGKRZSA-N 1 0 375.300 2.004 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)Cc2c(F)cccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000477141466 532646674 /nfs/dbraw/zinc/64/66/74/532646674.db2.gz FVWYIZDCQZANFI-JKSUJKDBSA-N 1 0 376.494 2.306 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H](O)C1CCOCC1 ZINC000531286884 532632979 /nfs/dbraw/zinc/63/29/79/532632979.db2.gz PBKQOECVFPGUGM-QGZVFWFLSA-N 1 0 399.329 2.127 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000474929545 532633115 /nfs/dbraw/zinc/63/31/15/532633115.db2.gz UIGNBOSBAQGHCP-BBRMVZONSA-N 1 0 388.293 2.269 20 0 GEADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H]1CCCCC[NH2+]1 ZINC000376896446 532634051 /nfs/dbraw/zinc/63/40/51/532634051.db2.gz NODPKBHIGGBLTN-ZDUSSCGKSA-N 1 0 378.274 2.383 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000566995958 532634607 /nfs/dbraw/zinc/63/46/07/532634607.db2.gz FKWZDKOHHHBTFR-UHFFFAOYSA-N 1 0 382.357 2.296 20 0 GEADRO C[C@@H](O)CCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000475036698 532635153 /nfs/dbraw/zinc/63/51/53/532635153.db2.gz ZIRJVFJBZHEELR-CQSZACIVSA-N 1 0 384.318 2.166 20 0 GEADRO O=S(=O)(NCCC[NH2+]CC[C@@H]1CCOC1)c1ccccc1Br ZINC000567000934 532635660 /nfs/dbraw/zinc/63/56/60/532635660.db2.gz ZPEUXPUBOWMELP-CYBMUJFWSA-N 1 0 391.331 2.134 20 0 GEADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc(Br)cn2)cn1 ZINC000475052350 532636398 /nfs/dbraw/zinc/63/63/98/532636398.db2.gz QPPGRBOMQVLWLW-HOCLYGCPSA-N 1 0 382.281 2.280 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CSc1ccccc1Cl ZINC000263710348 532636534 /nfs/dbraw/zinc/63/65/34/532636534.db2.gz QFJPAKCZKDHGFC-HNNXBMFYSA-N 1 0 383.945 2.491 20 0 GEADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000567041256 532637423 /nfs/dbraw/zinc/63/74/23/532637423.db2.gz JXRBWFXYOKXMPI-ACJLOTCBSA-N 1 0 392.297 2.378 20 0 GEADRO COC[C@@H](NC1CC[NH+](Cc2ccccc2Br)CC1)C(=O)OC ZINC000475155709 532638197 /nfs/dbraw/zinc/63/81/97/532638197.db2.gz OQRMYCQSBAFIFP-MRXNPFEDSA-N 1 0 385.302 2.191 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(Br)cc1 ZINC000531979584 532640949 /nfs/dbraw/zinc/64/09/49/532640949.db2.gz MXQTYTIIAWPKTJ-NSHDSACASA-N 1 0 388.287 2.207 20 0 GEADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000567111156 532641374 /nfs/dbraw/zinc/64/13/74/532641374.db2.gz LLUZQNPUAHHQNN-LLVKDONJSA-N 1 0 375.441 2.019 20 0 GEADRO [NH3+]C1CCC(OCC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000567108888 532641798 /nfs/dbraw/zinc/64/17/98/532641798.db2.gz FYNOYCYKBMZTOT-RPFQZYLTSA-N 1 0 387.249 2.424 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)c2cc(I)ccc2O)CC[N@@H+]1C ZINC000436730136 532643004 /nfs/dbraw/zinc/64/30/04/532643004.db2.gz VIPDITKDIVQGEX-ZDUSSCGKSA-N 1 0 388.249 2.409 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC)CC(C)C ZINC000476423872 532644409 /nfs/dbraw/zinc/64/44/09/532644409.db2.gz MTKRMXRREKBVPM-GVDBMIGSSA-N 1 0 376.563 2.394 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)CC(C)C ZINC000476427007 532644508 /nfs/dbraw/zinc/64/45/08/532644508.db2.gz WIPSYIYDXIFSOT-ZDUSSCGKSA-N 1 0 384.468 2.480 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000377561264 532661033 /nfs/dbraw/zinc/66/10/33/532661033.db2.gz CRBAIVCIJMPQDN-JKSUJKDBSA-N 1 0 385.277 2.188 20 0 GEADRO COC[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000298572791 532661413 /nfs/dbraw/zinc/66/14/13/532661413.db2.gz QMAQLWRKTOINQH-LBPRGKRZSA-N 1 0 381.782 2.395 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000298575336 532661639 /nfs/dbraw/zinc/66/16/39/532661639.db2.gz HTXVJBVOUWHXJX-UHFFFAOYSA-N 1 0 384.318 2.208 20 0 GEADRO COC(=O)CC1([NH2+]CCC(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000298595252 532662146 /nfs/dbraw/zinc/66/21/46/532662146.db2.gz KTZUGJXEQBNLNU-UHFFFAOYSA-N 1 0 399.285 2.480 20 0 GEADRO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc1Cl ZINC000285304945 532669239 /nfs/dbraw/zinc/66/92/39/532669239.db2.gz QMYIJSYATJTBTP-GJZGRUSLSA-N 1 0 386.279 2.172 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)CSCC(=O)Nc2ccc(F)cc2)CCSC1 ZINC000480380370 532664286 /nfs/dbraw/zinc/66/42/86/532664286.db2.gz DLXTZFBKKCWYEG-KRWDZBQOSA-N 1 0 385.530 2.051 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000298616253 532664405 /nfs/dbraw/zinc/66/44/05/532664405.db2.gz ZCKHHHHPUMZCBT-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526218 532665092 /nfs/dbraw/zinc/66/50/92/532665092.db2.gz HRVDONAWIAUKJI-ZWNOBZJWSA-N 1 0 386.315 2.460 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000437937078 532665579 /nfs/dbraw/zinc/66/55/79/532665579.db2.gz URDAYOYNGKZWAW-HOTGVXAUSA-N 1 0 383.539 2.134 20 0 GEADRO Cc1nc(CN2CCC(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)cs1 ZINC000481182852 532667454 /nfs/dbraw/zinc/66/74/54/532667454.db2.gz ASZDJYYTQBZSEC-SFHVURJKSA-N 1 0 382.599 2.217 20 0 GEADRO O=C(COc1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438104662 532667556 /nfs/dbraw/zinc/66/75/56/532667556.db2.gz XXKPEMNZBAKAAL-OAHLLOKOSA-N 1 0 397.313 2.399 20 0 GEADRO CC[C@H]([NH2+][C@H](C)COCCOC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481659724 532668738 /nfs/dbraw/zinc/66/87/38/532668738.db2.gz JQHXECYDKAWRDN-DOMZBBRYSA-N 1 0 378.922 2.340 20 0 GEADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)sc2C1 ZINC000567285204 532648120 /nfs/dbraw/zinc/64/81/20/532648120.db2.gz ROODPSJKEOSVTR-LBPRGKRZSA-N 1 0 385.555 2.453 20 0 GEADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000377280647 532648350 /nfs/dbraw/zinc/64/83/50/532648350.db2.gz MNNJILIJFWXNML-VXGBXAGGSA-N 1 0 386.279 2.254 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000632866227 532648686 /nfs/dbraw/zinc/64/86/86/532648686.db2.gz RDGNNMUTUVWQSN-UHFFFAOYSA-N 1 0 380.290 2.244 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000632918254 532649209 /nfs/dbraw/zinc/64/92/09/532649209.db2.gz IEOXSNCENNAJAY-UHFFFAOYSA-N 1 0 380.290 2.114 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000477348803 532649389 /nfs/dbraw/zinc/64/93/89/532649389.db2.gz JLIAZUUDAFWUFV-UHFFFAOYSA-N 1 0 398.345 2.231 20 0 GEADRO CSc1ncc(Cl)c(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000532347277 532649514 /nfs/dbraw/zinc/64/95/14/532649514.db2.gz HXVKADMPXXOGCO-CYBMUJFWSA-N 1 0 383.949 2.092 20 0 GEADRO Cn1cc(Br)cc(NC(=O)NCc2cccc3c2CC[NH2+]C3)c1=O ZINC000632919637 532649892 /nfs/dbraw/zinc/64/98/92/532649892.db2.gz FROBUSGSVSDIDY-UHFFFAOYSA-N 1 0 391.269 2.115 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1F)N1CCC([NH2+]CCO)CC1 ZINC000632938177 532650998 /nfs/dbraw/zinc/65/09/98/532650998.db2.gz RZRPBRMQHGUIFG-UHFFFAOYSA-N 1 0 378.217 2.306 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCC([NH2+]CCO)CC1 ZINC000632940257 532651347 /nfs/dbraw/zinc/65/13/47/532651347.db2.gz HPTMCNRVUKIVRZ-UHFFFAOYSA-N 1 0 383.905 2.380 20 0 GEADRO Cc1nc2n(c1CN1CCN(S(=O)(=O)c3cccs3)CC1)CCCC2 ZINC000377317649 532651442 /nfs/dbraw/zinc/65/14/42/532651442.db2.gz REBPYBBGCVWLAD-UHFFFAOYSA-N 1 0 380.539 2.096 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(CNC(C)=O)s1)CC(C)C ZINC000298489519 532653669 /nfs/dbraw/zinc/65/36/69/532653669.db2.gz IVUNUMCOHXGECI-HNNXBMFYSA-N 1 0 389.587 2.419 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)s1 ZINC000298488532 532654178 /nfs/dbraw/zinc/65/41/78/532654178.db2.gz LFJCEUXDQIXLTG-MRXNPFEDSA-N 1 0 387.571 2.173 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCC1 ZINC000567465079 532654217 /nfs/dbraw/zinc/65/42/17/532654217.db2.gz LWAGBCRCNGJUIQ-NSHDSACASA-N 1 0 382.309 2.290 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C1 ZINC000285163246 532654712 /nfs/dbraw/zinc/65/47/12/532654712.db2.gz UMYMRYABPWYHRJ-LBPRGKRZSA-N 1 0 380.901 2.119 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3cc(F)ccc3Br)[C@@H]2C1 ZINC000656993752 532654817 /nfs/dbraw/zinc/65/48/17/532654817.db2.gz HXFNNRRUEDAKHK-QMTHXVAHSA-N 1 0 377.279 2.054 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3cc(F)ccc3Br)[C@H]2C1 ZINC000656993753 532654859 /nfs/dbraw/zinc/65/48/59/532654859.db2.gz HXFNNRRUEDAKHK-YGRLFVJLSA-N 1 0 377.279 2.054 20 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/nfs/dbraw/zinc/65/61/64/532656164.db2.gz VYOAIBOVSACORY-HOCLYGCPSA-N 1 0 387.571 2.253 20 0 GEADRO CN(CC[NH3+])C(=O)C(=O)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000633006389 532656856 /nfs/dbraw/zinc/65/68/56/532656856.db2.gz PRNRJFNGENIIQI-NXEZZACHSA-N 1 0 378.420 2.335 20 0 GEADRO CN1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)c2ccc(Br)cc21 ZINC000633024533 532657826 /nfs/dbraw/zinc/65/78/26/532657826.db2.gz ZEVYRCNDHRHBNE-UHFFFAOYSA-N 1 0 392.301 2.304 20 0 GEADRO CC[NH+]1CCC(NC(=O)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000478481049 532658828 /nfs/dbraw/zinc/65/88/28/532658828.db2.gz LRQZYPAWVHYXBM-UHFFFAOYSA-N 1 0 390.347 2.499 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000633036089 532659097 /nfs/dbraw/zinc/65/90/97/532659097.db2.gz GOOPFLWBYHSCAX-AULYBMBSSA-N 1 0 398.301 2.338 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)s1 ZINC000567699683 532658990 /nfs/dbraw/zinc/65/89/90/532658990.db2.gz YBQRXXWLACWQMM-LBPRGKRZSA-N 1 0 380.491 2.162 20 0 GEADRO CN(CC(=O)Nc1cccc(I)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000532982858 532659121 /nfs/dbraw/zinc/65/91/21/532659121.db2.gz YXXVCNHYWKHGDM-HNNXBMFYSA-N 1 0 399.276 2.398 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000633035345 532659186 /nfs/dbraw/zinc/65/91/86/532659186.db2.gz FHKVXILRRRTQEC-KYZUINATSA-N 1 0 390.228 2.300 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000633040852 532659263 /nfs/dbraw/zinc/65/92/63/532659263.db2.gz KTSNGHWJJAHIPA-JQWIXIFHSA-N 1 0 384.274 2.123 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1F ZINC000633036579 532659382 /nfs/dbraw/zinc/65/93/82/532659382.db2.gz LSVWEYFDSKXSMQ-XYPYZODXSA-N 1 0 386.265 2.469 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)ccc1Br ZINC000633035914 532659672 /nfs/dbraw/zinc/65/96/72/532659672.db2.gz IDAWLIHMWPFHAV-QWRGUYRKSA-N 1 0 384.274 2.123 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nnnn1-c1ccccc1Br ZINC000285467107 532683672 /nfs/dbraw/zinc/68/36/72/532683672.db2.gz HFKCEQHRBDPHKE-KBPBESRZSA-N 1 0 391.317 2.483 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)O1 ZINC000568618896 532683801 /nfs/dbraw/zinc/68/38/01/532683801.db2.gz WAZOWWOPSWRCOG-GJZGRUSLSA-N 1 0 398.301 2.003 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000638159250 532683993 /nfs/dbraw/zinc/68/39/93/532683993.db2.gz WLMLSKVBLIOWLQ-JGGQBBKZSA-N 1 0 394.313 2.136 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000264931658 532684452 /nfs/dbraw/zinc/68/44/52/532684452.db2.gz SPSQRAIDPCJGSX-ZJUUUORDSA-N 1 0 376.320 2.085 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000439218479 532685454 /nfs/dbraw/zinc/68/54/54/532685454.db2.gz VCXFCMXPNRITPM-UHFFFAOYSA-N 1 0 398.301 2.259 20 0 GEADRO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638227989 532685657 /nfs/dbraw/zinc/68/56/57/532685657.db2.gz VIWXMMBQHUHKDO-ZIFCJYIRSA-N 1 0 392.341 2.233 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000568763229 532685730 /nfs/dbraw/zinc/68/57/30/532685730.db2.gz LUJJSLIJOFSVHK-LLVKDONJSA-N 1 0 379.766 2.088 20 0 GEADRO O=C(c1oc2ccccc2c1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638227680 532685733 /nfs/dbraw/zinc/68/57/33/532685733.db2.gz UITPDHMISGHUMI-LBPRGKRZSA-N 1 0 378.270 2.315 20 0 GEADRO C[NH+](C)C1(CNC(=O)COc2ccc(F)cc2Br)CCOCC1 ZINC000265017638 532685719 /nfs/dbraw/zinc/68/57/19/532685719.db2.gz LJXSCEALICQUGQ-UHFFFAOYSA-N 1 0 389.265 2.194 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638194717 532685979 /nfs/dbraw/zinc/68/59/79/532685979.db2.gz DXTLXFCCOMCCQI-CVEARBPZSA-N 1 0 394.313 2.198 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(I)s2)C[NH2+]1 ZINC000599908065 532670124 /nfs/dbraw/zinc/67/01/24/532670124.db2.gz MQLJCYOGSPFFGH-NXEZZACHSA-N 1 0 393.294 2.335 20 0 GEADRO CC(C)OC[C@@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000567899347 532670303 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Cc1nnc(COCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000285344896 532673153 /nfs/dbraw/zinc/67/31/53/532673153.db2.gz YRWODGWXPQNAIJ-UHFFFAOYSA-N 1 0 380.539 2.453 20 0 GEADRO CO[C@H]1C[C@@H](CN(C)C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[N@H+](C)C1 ZINC000285350687 532673378 /nfs/dbraw/zinc/67/33/78/532673378.db2.gz XBARVZVTIHVSTB-KBPBESRZSA-N 1 0 385.295 2.361 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000264436604 532673630 /nfs/dbraw/zinc/67/36/30/532673630.db2.gz PMMWGVHBKTUDKF-AWEZNQCLSA-N 1 0 387.571 2.239 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000568237313 532673949 /nfs/dbraw/zinc/67/39/49/532673949.db2.gz XMMUGISZBQIYFB-BBWFWOEESA-N 1 0 396.329 2.194 20 0 GEADRO COc1ncc(Br)cc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000660138954 532674271 /nfs/dbraw/zinc/67/42/71/532674271.db2.gz CMDQTWWMVBMBFB-UHFFFAOYSA-N 1 0 385.350 2.311 20 0 GEADRO CCN(C(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000568321865 532674942 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Cc1cc(NC(=O)Cn2cc([C@@H]([NH3+])[C@H]3CCCO3)nn2)ccc1Br ZINC000640759468 532697657 /nfs/dbraw/zinc/69/76/57/532697657.db2.gz SMJFMIDBNHMKRW-GDBMZVCRSA-N 1 0 394.273 2.167 20 0 GEADRO O=C(Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1)Nc1ccc(Br)cc1 ZINC000640753877 532697744 /nfs/dbraw/zinc/69/77/44/532697744.db2.gz BFRUATUAHDCRAO-LBPRGKRZSA-N 1 0 378.274 2.221 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299133999 532697778 /nfs/dbraw/zinc/69/77/78/532697778.db2.gz ZRKLHUQIWZIMBX-CVEARBPZSA-N 1 0 394.313 2.312 20 0 GEADRO CC(C)[N@H+](Cc1ccc(Br)cc1)Cc1cc(=O)n(C)c(=O)n1C ZINC000299126441 532697819 /nfs/dbraw/zinc/69/78/19/532697819.db2.gz JHPARDTWEDHUGY-UHFFFAOYSA-N 1 0 380.286 2.257 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439589249 532698378 /nfs/dbraw/zinc/69/83/78/532698378.db2.gz AGTNMTCNBLGWPV-ZDUSSCGKSA-N 1 0 380.286 2.391 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000265919563 532699302 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C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cc(Cl)c(N)c(Cl)c3)C2)C1 ZINC000299196627 532701305 /nfs/dbraw/zinc/70/13/05/532701305.db2.gz DWKYIXZJQPMZLF-KRWDZBQOSA-N 1 0 385.295 2.458 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000601919988 532687168 /nfs/dbraw/zinc/68/71/68/532687168.db2.gz BZJLKQXQAKXLRW-LBPRGKRZSA-N 1 0 380.491 2.484 20 0 GEADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638782428 532687479 /nfs/dbraw/zinc/68/74/79/532687479.db2.gz URTAMXVCLUIZPL-CYBMUJFWSA-N 1 0 397.317 2.280 20 0 GEADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cnn3cc(Br)cnc23)c1 ZINC000639090133 532688418 /nfs/dbraw/zinc/68/84/18/532688418.db2.gz FMXOJSSWOFSEKX-MRXNPFEDSA-N 1 0 375.270 2.493 20 0 GEADRO Cn1nccc1C1=CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000285539931 532688928 /nfs/dbraw/zinc/68/89/28/532688928.db2.gz IAGDKNOCHRLHTE-UHFFFAOYSA-N 1 0 376.258 2.305 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+][C@H](C)c2ccc(Br)cc2F)nn1 ZINC000285532774 532689440 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OC[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)Cc1ccco1 ZINC000569693721 532703488 /nfs/dbraw/zinc/70/34/88/532703488.db2.gz YKGCKYZTIBYFCO-UKRRQHHQSA-N 1 0 384.270 2.223 20 0 GEADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000285752390 532704557 /nfs/dbraw/zinc/70/45/57/532704557.db2.gz WPGCAJOIFFJAFQ-UHFFFAOYSA-N 1 0 390.933 2.088 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3cc(Br)cnc23)C[C@H]1C ZINC000538742377 532718214 /nfs/dbraw/zinc/71/82/14/532718214.db2.gz KJQMUHJWTCKPJU-DGCLKSJQSA-N 1 0 380.290 2.437 20 0 GEADRO C[C@@H](NC(=O)c1c(Cl)cc(F)cc1Br)C(=O)NCC[NH+](C)C ZINC000569708252 532705228 /nfs/dbraw/zinc/70/52/28/532705228.db2.gz QENYBYZWFGJICZ-MRVPVSSYSA-N 1 0 394.672 2.038 20 0 GEADRO COc1cccc2sc(NC(=O)CN3C[C@@H](SC)[C@@H]([NH+](C)C)C3)nc21 ZINC000537275970 532705275 /nfs/dbraw/zinc/70/52/75/532705275.db2.gz KZGSAEKFHFTSEQ-SMDDNHRTSA-N 1 0 380.539 2.221 20 0 GEADRO COc1cc(Br)c(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000666919627 532706477 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CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000577098798 532733010 /nfs/dbraw/zinc/73/30/10/532733010.db2.gz IYEFCCWRKKQHEB-GOEBONIOSA-N 1 0 385.302 2.037 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000286213931 532733746 /nfs/dbraw/zinc/73/37/46/532733746.db2.gz STKDTRAGNIKDBV-GFCCVEGCSA-N 1 0 398.248 2.282 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1Br ZINC000673885700 532734510 /nfs/dbraw/zinc/73/45/10/532734510.db2.gz KHUMBCOWFSBOSL-HNNXBMFYSA-N 1 0 383.286 2.327 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442762285 532734772 /nfs/dbraw/zinc/73/47/72/532734772.db2.gz GZTVYKLRVNYZJY-UHFFFAOYSA-N 1 0 383.436 2.079 20 0 GEADRO CN1CCC[C@@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)[C@H]1c1cccs1 ZINC000674031490 532735115 /nfs/dbraw/zinc/73/51/15/532735115.db2.gz BOCIUWZBBKEADJ-ZFWWWQNUSA-N 1 0 387.571 2.253 20 0 GEADRO CCN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)CS(=O)(=O)CC ZINC000500778100 532735418 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O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000614514973 532738145 /nfs/dbraw/zinc/73/81/45/532738145.db2.gz QZWCCFBXKCQTLH-IXDOHACOSA-N 1 0 378.314 2.059 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300205057 532738453 /nfs/dbraw/zinc/73/84/53/532738453.db2.gz SANFWTDAGLHGJM-TVQRCGJNSA-N 1 0 379.707 2.475 20 0 GEADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614506661 532738885 /nfs/dbraw/zinc/73/88/85/532738885.db2.gz HTBYTZPOZQXNRU-CQSZACIVSA-N 1 0 378.929 2.388 20 0 GEADRO NS(=O)(=O)c1ccc(N2CC[NH+](C3CCCC3)CC2)cc1C(F)(F)F ZINC000301155809 532741565 /nfs/dbraw/zinc/74/15/65/532741565.db2.gz AEJGAGCIRNQKNC-UHFFFAOYSA-N 1 0 377.432 2.417 20 0 GEADRO CCn1ccnc1[C@H](NC1C[NH2+]C1)c1ccc(I)cc1 ZINC000581364030 532754523 /nfs/dbraw/zinc/75/45/23/532754523.db2.gz JNLWFRRDCHSWAA-CQSZACIVSA-N 1 0 382.249 2.158 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC000268072455 532755215 /nfs/dbraw/zinc/75/52/15/532755215.db2.gz WRRBEDKSXWDOGD-MQIPJXDCSA-N 1 0 390.311 2.435 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)c2cccs2)c1 ZINC000541644508 532756935 /nfs/dbraw/zinc/75/69/35/532756935.db2.gz QMRQCCSHLCRWMD-UHFFFAOYSA-N 1 0 381.523 2.462 20 0 GEADRO O=C(Nc1nnc(SCc2ccccc2)s1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000581872069 532757542 /nfs/dbraw/zinc/75/75/42/532757542.db2.gz FBKQPVOBYVWHLN-LLVKDONJSA-N 1 0 385.465 2.949 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2sccc2Br)C1 ZINC000581876026 532757689 /nfs/dbraw/zinc/75/76/89/532757689.db2.gz URAFEJUZWBTMOF-WDEREUQCSA-N 1 0 388.331 2.116 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000286605433 532757905 /nfs/dbraw/zinc/75/79/05/532757905.db2.gz HHMJHVZPERNYRQ-LRDDRELGSA-N 1 0 386.901 2.374 20 0 GEADRO CC(C)c1cc(N(C)[C@H](C)C[S@](C)=O)nc(N(C)[C@@H](C)C[S@@](C)=O)[nH+]1 ZINC000618680496 532758639 /nfs/dbraw/zinc/75/86/39/532758639.db2.gz BKUOLEMTSMLCGA-KFRPSRRXSA-N 1 0 388.603 2.006 20 0 GEADRO O=S1(=O)CC[C@]2(C1)CCCN(C[C@H](O)COCc1ccc(Cl)cc1)C2 ZINC000581925585 532759230 /nfs/dbraw/zinc/75/92/30/532759230.db2.gz BZBXVDWKVMIUDS-ZWKOTPCHSA-N 1 0 387.929 2.118 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000581913327 532759252 /nfs/dbraw/zinc/75/92/52/532759252.db2.gz BZLFXWLMZYOBPC-KRWDZBQOSA-N 1 0 399.329 2.427 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(c3ncnc4cccc(I)c43)C[C@@H]21 ZINC000450775567 532759731 /nfs/dbraw/zinc/75/97/31/532759731.db2.gz GAFLPDWYDIOJRW-MFKMUULPSA-N 1 0 380.233 2.375 20 0 GEADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)C1 ZINC000582605551 532760089 /nfs/dbraw/zinc/76/00/89/532760089.db2.gz DUYWRAYGXJGCBK-SNVBAGLBSA-N 1 0 383.297 2.001 20 0 GEADRO O=C1C[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CN1C1CC1 ZINC000582611564 532760315 /nfs/dbraw/zinc/76/03/15/532760315.db2.gz ZHPYSPKHZJWJOF-GFCCVEGCSA-N 1 0 390.285 2.130 20 0 GEADRO CC[C@@H]1C[C@H](C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CCO1 ZINC000507809458 532760953 /nfs/dbraw/zinc/76/09/53/532760953.db2.gz FARZQFOIOFFFHD-UKRRQHHQSA-N 1 0 386.480 2.480 20 0 GEADRO O=C(c1cc(Br)c(F)cc1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620479197 532762578 /nfs/dbraw/zinc/76/25/78/532762578.db2.gz PJNVJTIMMHGJAX-NSHDSACASA-N 1 0 389.240 2.399 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)C1 ZINC000286462959 532748342 /nfs/dbraw/zinc/74/83/42/532748342.db2.gz GLWUAKRGFFSPQT-VXGBXAGGSA-N 1 0 388.295 2.008 20 0 GEADRO C[C@@H]1CCNC(=O)[C@@H]1NCc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000580517358 532749476 /nfs/dbraw/zinc/74/94/76/532749476.db2.gz DOOGYUSHZDVQDD-NOZJJQNGSA-N 1 0 379.873 2.058 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NCc1cc(OC)ccc1Br ZINC000616098490 532749556 /nfs/dbraw/zinc/74/95/56/532749556.db2.gz VYXNYYUJETWVEQ-UHFFFAOYSA-N 1 0 388.306 2.225 20 0 GEADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000443737358 532749779 /nfs/dbraw/zinc/74/97/79/532749779.db2.gz NVKPRBNFAQTRRE-VIFPVBQESA-N 1 0 388.212 2.019 20 0 GEADRO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000444691999 532750937 /nfs/dbraw/zinc/75/09/37/532750937.db2.gz KTBXJKXWVZECEI-CQSZACIVSA-N 1 0 396.329 2.269 20 0 GEADRO CSC1(CNC(=O)CN2C(=O)CSc3ccccc32)CC[NH+](C)CC1 ZINC000580864784 532751230 /nfs/dbraw/zinc/75/12/30/532751230.db2.gz KCEODUQNCZGRKR-UHFFFAOYSA-N 1 0 379.551 2.069 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000267852730 532751474 /nfs/dbraw/zinc/75/14/74/532751474.db2.gz DXLGNVXXMQGWHA-STQMWFEESA-N 1 0 384.249 2.270 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CCSC1 ZINC000411282103 532753445 /nfs/dbraw/zinc/75/34/45/532753445.db2.gz WXIMLXGWNBKIPB-ABAIWWIYSA-N 1 0 383.480 2.023 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CS1 ZINC000411779901 532775161 /nfs/dbraw/zinc/77/51/61/532775161.db2.gz DNMXRFLCZKUNAW-WCQYABFASA-N 1 0 385.917 2.229 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000286936510 532775841 /nfs/dbraw/zinc/77/58/41/532775841.db2.gz JOIVBBXQWHKLMN-SWLSCSKDSA-N 1 0 382.302 2.006 20 0 GEADRO CCn1c(C[NH2+][C@@H]2CSC[C@@H]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000512224849 532776768 /nfs/dbraw/zinc/77/67/68/532776768.db2.gz DAVLKQZFLCIPOJ-SWLSCSKDSA-N 1 0 382.555 2.148 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000286976843 532777202 /nfs/dbraw/zinc/77/72/02/532777202.db2.gz HDPCYBUNTXKCRX-BETUJISGSA-N 1 0 381.270 2.051 20 0 GEADRO Cc1nc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000310790849 532777201 /nfs/dbraw/zinc/77/72/01/532777201.db2.gz DPSCLPILFSEMSE-DOMZBBRYSA-N 1 0 380.539 2.421 20 0 GEADRO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000286982161 532777252 /nfs/dbraw/zinc/77/72/52/532777252.db2.gz CAUCDENNQRVKOL-ZDUSSCGKSA-N 1 0 384.929 2.493 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cc(Br)ccn2)CC1 ZINC000455284824 532779924 /nfs/dbraw/zinc/77/99/24/532779924.db2.gz YEWOILBCYRGXIZ-UHFFFAOYSA-N 1 0 384.322 2.382 20 0 GEADRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000269246119 532777799 /nfs/dbraw/zinc/77/77/99/532777799.db2.gz ZMMRHJOACNTIIG-HZMBPMFUSA-N 1 0 378.274 2.148 20 0 GEADRO Cc1nc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000311195972 532777887 /nfs/dbraw/zinc/77/78/87/532777887.db2.gz IBJWOWNHKBMDEE-HNNXBMFYSA-N 1 0 380.539 2.423 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2Cl)CCCO1 ZINC000313346572 532778789 /nfs/dbraw/zinc/77/87/89/532778789.db2.gz GHVBUUXYGKVAPA-LLVKDONJSA-N 1 0 376.682 2.091 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000512898433 532778950 /nfs/dbraw/zinc/77/89/50/532778950.db2.gz CHUPQJNXNQMBEI-BXUZGUMPSA-N 1 0 376.320 2.042 20 0 GEADRO C[NH+](C)CC1(NC(=O)COc2cccc(I)c2)CCC1 ZINC000508645989 532763588 /nfs/dbraw/zinc/76/35/88/532763588.db2.gz QBQPFMHJDFVNAS-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000542078757 532764534 /nfs/dbraw/zinc/76/45/34/532764534.db2.gz BRDMFPZVOOEOJR-CQSZACIVSA-N 1 0 398.345 2.142 20 0 GEADRO NC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000411512811 532764856 /nfs/dbraw/zinc/76/48/56/532764856.db2.gz BYFUYQYDSLCJMD-HNNXBMFYSA-N 1 0 398.301 2.038 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CCO1 ZINC000620967044 532764862 /nfs/dbraw/zinc/76/48/62/532764862.db2.gz OJWHREMKGDYRBS-LBPRGKRZSA-N 1 0 385.306 2.232 20 0 GEADRO OC[C@H]([C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C1CC1)C1CC1 ZINC000451595952 532765443 /nfs/dbraw/zinc/76/54/43/532765443.db2.gz CGQVFBNLSKYIIX-GUYCJALGSA-N 1 0 392.301 2.312 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)COc2cccc(I)c2)C1 ZINC000584226595 532767194 /nfs/dbraw/zinc/76/71/94/532767194.db2.gz BKMIFULCUMHSPY-DGCLKSJQSA-N 1 0 388.249 2.304 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000584222483 532767467 /nfs/dbraw/zinc/76/74/67/532767467.db2.gz KEDBMDROBHRCTQ-MRXNPFEDSA-N 1 0 394.313 2.228 20 0 GEADRO COc1ncc(C(=O)NCCC[NH2+]Cc2cccnc2)cc1Br ZINC000584528640 532768109 /nfs/dbraw/zinc/76/81/09/532768109.db2.gz IKRHHBDKXVUDAK-UHFFFAOYSA-N 1 0 379.258 2.157 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)C2)CC1 ZINC000286766596 532768215 /nfs/dbraw/zinc/76/82/15/532768215.db2.gz FDRZCUOWICZGHL-GFCCVEGCSA-N 1 0 393.887 2.019 20 0 GEADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000584525054 532768691 /nfs/dbraw/zinc/76/86/91/532768691.db2.gz RYXDJXHZLXJTIQ-MLGOLLRUSA-N 1 0 387.343 2.295 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc(I)cc3)C[C@@H]21 ZINC000584529912 532769137 /nfs/dbraw/zinc/76/91/37/532769137.db2.gz FFFIQNJNFYOYMI-BYCMXARLSA-N 1 0 399.276 2.289 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000411633023 532770984 /nfs/dbraw/zinc/77/09/84/532770984.db2.gz HMTSGZWUVZSKER-LSDHHAIUSA-N 1 0 391.896 2.258 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000268798055 532771093 /nfs/dbraw/zinc/77/10/93/532771093.db2.gz IIJVXARXSBYODE-ZDUSSCGKSA-N 1 0 377.304 2.192 20 0 GEADRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cccc(I)c1 ZINC000588931792 532772523 /nfs/dbraw/zinc/77/25/23/532772523.db2.gz PYNPTGXDDDVNDB-LBPRGKRZSA-N 1 0 378.279 2.249 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(Cl)c1 ZINC000286863792 532772923 /nfs/dbraw/zinc/77/29/23/532772923.db2.gz YEELDRWWCUAGIK-DOMZBBRYSA-N 1 0 386.901 2.374 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000302754418 532773309 /nfs/dbraw/zinc/77/33/09/532773309.db2.gz VMRAXAVFDJCZOL-UHFFFAOYSA-N 1 0 389.725 2.488 20 0 GEADRO [NH3+]CCCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000510452748 532773355 /nfs/dbraw/zinc/77/33/55/532773355.db2.gz RCHSAZDAZXYVGI-ZDUSSCGKSA-N 1 0 387.267 2.054 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000588981527 532773666 /nfs/dbraw/zinc/77/36/66/532773666.db2.gz LPCZBRZQXANVKF-QWRGUYRKSA-N 1 0 379.345 2.337 20 0 GEADRO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(Br)cc1OCCCO ZINC000411748165 532773960 /nfs/dbraw/zinc/77/39/60/532773960.db2.gz ZSONJSCCVZOXTN-RYUDHWBXSA-N 1 0 394.331 2.294 20 0 GEADRO CC(C)CN(C(=O)C[NH2+][C@@H](c1cccs1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000542511881 532774141 /nfs/dbraw/zinc/77/41/41/532774141.db2.gz XJBHVWGRVVNSND-CRAIPNDOSA-N 1 0 384.567 2.461 20 0 GEADRO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000268997254 532774556 /nfs/dbraw/zinc/77/45/56/532774556.db2.gz XYZRQGZQMZIEBT-OAHLLOKOSA-N 1 0 385.555 2.011 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccncc3Br)CC2)CC1 ZINC000269553972 532782307 /nfs/dbraw/zinc/78/23/07/532782307.db2.gz YNOAAFXYRWXYAC-UHFFFAOYSA-N 1 0 395.345 2.475 20 0 GEADRO CCC[N@H+](C)CC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456492620 532782614 /nfs/dbraw/zinc/78/26/14/532782614.db2.gz SFKFCTICXTUFGY-LBPRGKRZSA-N 1 0 375.282 2.197 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)Cc2cc(Br)ccc2F)CC1 ZINC000269561856 532783258 /nfs/dbraw/zinc/78/32/58/532783258.db2.gz FUZWWPMQYOLLEH-UHFFFAOYSA-N 1 0 387.293 2.482 20 0 GEADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)NCCc1cccc(Cl)c1Cl ZINC000411998454 532783439 /nfs/dbraw/zinc/78/34/39/532783439.db2.gz VVMULEFPSIJYBL-DZGCQCFKSA-N 1 0 375.296 2.029 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000287186901 532785387 /nfs/dbraw/zinc/78/53/87/532785387.db2.gz LXJRLUGALYTUFA-LAJNKCICSA-N 1 0 375.332 2.403 20 0 GEADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)COCc1ccc(Cl)cc1 ZINC000319435379 532785388 /nfs/dbraw/zinc/78/53/88/532785388.db2.gz KOPTYCBHSQWIJG-HNNXBMFYSA-N 1 0 388.693 2.466 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CN(C)C(=O)c2ccc(Br)o2)C1 ZINC000457116082 532786197 /nfs/dbraw/zinc/78/61/97/532786197.db2.gz LHVMKPHWRBVFEP-LBPRGKRZSA-N 1 0 386.290 2.055 20 0 GEADRO C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CCN1C(=O)c1cscn1 ZINC000457118658 532786541 /nfs/dbraw/zinc/78/65/41/532786541.db2.gz AVLYCANVZVOPDT-LBPRGKRZSA-N 1 0 378.523 2.253 20 0 GEADRO 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20 0 GEADRO COC(=O)c1cn(CC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)nn1 ZINC000551574472 532800895 /nfs/dbraw/zinc/80/08/95/532800895.db2.gz JLHQZGZUJLKNMV-GFCCVEGCSA-N 1 0 383.221 2.243 20 0 GEADRO CN(CC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)[C@H]1CCSC1 ZINC000329061059 532802107 /nfs/dbraw/zinc/80/21/07/532802107.db2.gz ZEPMBLBNPSMCMB-GXTWGEPZSA-N 1 0 388.942 2.064 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)CCO2 ZINC000272097704 532813254 /nfs/dbraw/zinc/81/32/54/532813254.db2.gz VAZATWFQKXIVRK-DZGCQCFKSA-N 1 0 379.400 2.411 20 0 GEADRO Cn1cc(C[N@@H+]2CCCN(c3cc(Br)cnc3C(N)=O)CC2)cn1 ZINC000329938251 532813259 /nfs/dbraw/zinc/81/32/59/532813259.db2.gz LVTUXVDVFPIQHN-UHFFFAOYSA-N 1 0 393.289 2.173 20 0 GEADRO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC1CCS(=O)(=O)CC1 ZINC000329912323 532813405 /nfs/dbraw/zinc/81/34/05/532813405.db2.gz OHBJOHNWKRSHHZ-HOTGVXAUSA-N 1 0 389.562 2.121 20 0 GEADRO Cn1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(-c2ccc(Cl)s2)n1 ZINC000413807880 532814787 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COC(=O)c1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)[nH]1 ZINC000272749813 532817851 /nfs/dbraw/zinc/81/78/51/532817851.db2.gz NEMSZARLSGTYFO-UHFFFAOYSA-N 1 0 380.242 2.083 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccncc2Br)CC1 ZINC000272484545 532816059 /nfs/dbraw/zinc/81/60/59/532816059.db2.gz AADQNQUSHROCEH-LBPRGKRZSA-N 1 0 385.306 2.401 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000272686687 532817049 /nfs/dbraw/zinc/81/70/49/532817049.db2.gz OLVQZXKKAWNNRB-QWHCGFSZSA-N 1 0 386.539 2.466 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000414060167 532818350 /nfs/dbraw/zinc/81/83/50/532818350.db2.gz APMYFJASJNGIJQ-ZFWWWQNUSA-N 1 0 390.281 2.394 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000272816168 532818407 /nfs/dbraw/zinc/81/84/07/532818407.db2.gz KDZYMBFJPHWPQX-UHFFFAOYSA-N 1 0 384.274 2.240 20 0 GEADRO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000330430142 532818602 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376.545 2.439 20 0 GEADRO COc1ncc(C)cc1NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000359957634 209207271 /nfs/dbraw/zinc/20/72/71/209207271.db2.gz HWFLDWLTTSZUHQ-UHFFFAOYSA-N 1 0 375.517 2.280 20 0 GEADRO COC(=O)c1ccc(OC(C)C)c(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000359926918 209203012 /nfs/dbraw/zinc/20/30/12/209203012.db2.gz JAFWUQRFMKJDKV-JKSUJKDBSA-N 1 0 391.468 2.245 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000288825521 532839648 /nfs/dbraw/zinc/83/96/48/532839648.db2.gz LQRRHEKZBPQRHJ-CQSZACIVSA-N 1 0 384.322 2.163 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(I)ccc2Cl)CCO1 ZINC000415271204 532839724 /nfs/dbraw/zinc/83/97/24/532839724.db2.gz RNAXGQUNYXRXNQ-SECBINFHSA-N 1 0 395.628 2.136 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000415269277 532839903 /nfs/dbraw/zinc/83/99/03/532839903.db2.gz KYQUNXGIVRYLSF-VIFPVBQESA-N 1 0 379.766 2.169 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000415263592 532839999 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ZINC000415297666 532840728 /nfs/dbraw/zinc/84/07/28/532840728.db2.gz VQSPPLNPHAUKBU-CYBMUJFWSA-N 1 0 397.317 2.330 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000288880226 532840817 /nfs/dbraw/zinc/84/08/17/532840817.db2.gz GCJKKOAZNKYVHS-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)C1 ZINC000415285595 532840918 /nfs/dbraw/zinc/84/09/18/532840918.db2.gz RXISQSACALLNOY-GFCCVEGCSA-N 1 0 398.301 2.163 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CN(C)[C@@H](C)C(=O)Nc2cc(C)no2)[C@@H]1c1cnn(C)c1 ZINC000328645181 209151911 /nfs/dbraw/zinc/15/19/11/209151911.db2.gz SBWPORWUGCNAQA-TXPKVOOTSA-N 1 0 388.516 2.449 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(COC)on2)[C@@H]1c1cnn(C)c1 ZINC000328631244 209151563 /nfs/dbraw/zinc/15/15/63/209151563.db2.gz QREAOLJCWLCNGX-KBXCAEBGSA-N 1 0 375.473 2.100 20 0 GEADRO Cc1nccn1CCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000328606331 209145361 /nfs/dbraw/zinc/14/53/61/209145361.db2.gz RCTBOVFOKCAVOO-OXQOHEQNSA-N 1 0 379.468 2.475 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415340885 532841803 /nfs/dbraw/zinc/84/18/03/532841803.db2.gz GAQUZPUUQDHDBI-NSHDSACASA-N 1 0 376.254 2.361 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000331681887 532842179 /nfs/dbraw/zinc/84/21/79/532842179.db2.gz TZYSPUOVDJIGFV-HOCLYGCPSA-N 1 0 382.302 2.456 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000331676815 532842226 /nfs/dbraw/zinc/84/22/26/532842226.db2.gz XUVWRNRFKUDALK-WDEREUQCSA-N 1 0 388.331 2.182 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1ccc(C(F)(F)F)cc1Br ZINC000415351592 532842398 /nfs/dbraw/zinc/84/23/98/532842398.db2.gz JUYFEVJGHGRBST-UHFFFAOYSA-N 1 0 395.223 2.495 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000415346884 532842406 /nfs/dbraw/zinc/84/24/06/532842406.db2.gz CMBMMRIJOCEEKK-BXUZGUMPSA-N 1 0 394.313 2.381 20 0 GEADRO O=C(Nc1cccc(F)c1I)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415361221 532842617 /nfs/dbraw/zinc/84/26/17/532842617.db2.gz MWICZBNOYYZHET-DTORHVGOSA-N 1 0 375.185 2.113 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000331697801 532842629 /nfs/dbraw/zinc/84/26/29/532842629.db2.gz ZLSNNQNJRHYUBG-LLVKDONJSA-N 1 0 388.331 2.231 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000331697971 532842985 /nfs/dbraw/zinc/84/29/85/532842985.db2.gz ZQSVFUXFRFBANX-QWRGUYRKSA-N 1 0 377.436 2.078 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000415366563 532842972 /nfs/dbraw/zinc/84/29/72/532842972.db2.gz WLZVAKGRXDCYDM-NSHDSACASA-N 1 0 378.885 2.133 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000415376660 532843038 /nfs/dbraw/zinc/84/30/38/532843038.db2.gz ZDMRUGPNYRHPKC-UHFFFAOYSA-N 1 0 384.274 2.091 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415378211 532843168 /nfs/dbraw/zinc/84/31/68/532843168.db2.gz CBQLMWGPCTYJNL-NSHDSACASA-N 1 0 398.301 2.290 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)Nc1ccnn1[C@@H](C)c1cc(Cl)ccc1Cl ZINC000415365374 532843200 /nfs/dbraw/zinc/84/32/00/532843200.db2.gz VQBFVJHWULEAMH-JTQLQIEISA-N 1 0 384.267 2.073 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000415390286 532843397 /nfs/dbraw/zinc/84/33/97/532843397.db2.gz UMZXXRJJJYUUIA-QMMMGPOBSA-N 1 0 390.228 2.252 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000288967509 532843438 /nfs/dbraw/zinc/84/34/38/532843438.db2.gz CGRMLLQHEYQMKI-AAEUAGOBSA-N 1 0 383.290 2.238 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000288963451 532843548 /nfs/dbraw/zinc/84/35/48/532843548.db2.gz PYFXKTOFEYFRJG-WFASDCNBSA-N 1 0 394.313 2.149 20 0 GEADRO Cn1ncc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1Br ZINC000274201285 532843843 /nfs/dbraw/zinc/84/38/43/532843843.db2.gz MDGPDJMSOCGPTP-UHFFFAOYSA-N 1 0 395.301 2.443 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC(C[NH2+]C)CC2)cc1Br ZINC000415394527 532843849 /nfs/dbraw/zinc/84/38/49/532843849.db2.gz CRZCMEPLAGDWML-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415395416 532843887 /nfs/dbraw/zinc/84/38/87/532843887.db2.gz NVUPWWRIFWWQKG-NSHDSACASA-N 1 0 391.269 2.004 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415407980 532844516 /nfs/dbraw/zinc/84/45/16/532844516.db2.gz GRSREEALNAWOQM-GFCCVEGCSA-N 1 0 398.301 2.211 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000415401213 532844637 /nfs/dbraw/zinc/84/46/37/532844637.db2.gz PEAAYQFILINDSA-UHFFFAOYSA-N 1 0 382.302 2.408 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415429838 532844687 /nfs/dbraw/zinc/84/46/87/532844687.db2.gz QFESEYYRGMVYPG-MRVPVSSYSA-N 1 0 378.217 2.155 20 0 GEADRO O=C(Nc1cccc(Br)c1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331824306 532844747 /nfs/dbraw/zinc/84/47/47/532844747.db2.gz QRIRFXSTUMXYEW-CYBMUJFWSA-N 1 0 395.301 2.125 20 0 GEADRO C[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C[C@@H]1C[NH3+] ZINC000415427736 532844964 /nfs/dbraw/zinc/84/49/64/532844964.db2.gz GIHNHWNJSUMXSI-QWRGUYRKSA-N 1 0 375.441 2.476 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415428904 532845140 /nfs/dbraw/zinc/84/51/40/532845140.db2.gz PLSQQDGKOWCTHV-SECBINFHSA-N 1 0 378.217 2.155 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[C@@H]1[NH3+] ZINC000415434588 532845523 /nfs/dbraw/zinc/84/55/23/532845523.db2.gz IPPBDWXUNZJFMF-GWCFXTLKSA-N 1 0 391.269 2.132 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC000331840037 532845524 /nfs/dbraw/zinc/84/55/24/532845524.db2.gz SXAZIPKPJLBMBS-SMDDNHRTSA-N 1 0 389.315 2.220 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1Br ZINC000289051870 532845740 /nfs/dbraw/zinc/84/57/40/532845740.db2.gz NPLPXSHPFPZOJZ-AAEUAGOBSA-N 1 0 395.301 2.176 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415444106 532845815 /nfs/dbraw/zinc/84/58/15/532845815.db2.gz RHKYZCPONFSVJG-MNOVXSKESA-N 1 0 386.265 2.421 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000274261311 532846483 /nfs/dbraw/zinc/84/64/83/532846483.db2.gz WWZOLHJIZLWFAE-LBPRGKRZSA-N 1 0 385.306 2.133 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)n1 ZINC000415463138 532846603 /nfs/dbraw/zinc/84/66/03/532846603.db2.gz AWWLJPXKMLAUNI-CYBMUJFWSA-N 1 0 376.507 2.491 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415483281 532846764 /nfs/dbraw/zinc/84/67/64/532846764.db2.gz LRLHNCVLBKMYEI-UHFFFAOYSA-N 1 0 376.682 2.484 20 0 GEADRO CN(C(=O)Nc1cc(Br)cnc1-n1cccn1)[C@H](C[NH3+])C1CC1 ZINC000415484150 532846850 /nfs/dbraw/zinc/84/68/50/532846850.db2.gz NBODPGCXLZSNCJ-CYBMUJFWSA-N 1 0 379.262 2.231 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415460570 532846353 /nfs/dbraw/zinc/84/63/53/532846353.db2.gz ATRWJYVRCIIZAM-UHFFFAOYSA-N 1 0 398.179 2.140 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000415493116 532847483 /nfs/dbraw/zinc/84/74/83/532847483.db2.gz CPZQOBIPSIEYED-UHFFFAOYSA-N 1 0 398.301 2.052 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415491677 532847517 /nfs/dbraw/zinc/84/75/17/532847517.db2.gz OIYQJGHLHYCXDN-UHFFFAOYSA-N 1 0 383.290 2.294 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)Nc1cc(Br)cnc1-n1cccn1)C1CC1 ZINC000415477632 532847039 /nfs/dbraw/zinc/84/70/39/532847039.db2.gz FHZHJAAWKYLTGH-HNNXBMFYSA-N 1 0 379.262 2.279 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415478195 532847060 /nfs/dbraw/zinc/84/70/60/532847060.db2.gz FZRDGCHXKLAESV-GFCCVEGCSA-N 1 0 379.262 2.246 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415487923 532847240 /nfs/dbraw/zinc/84/72/40/532847240.db2.gz HIJMQKQUMJQHII-SNVBAGLBSA-N 1 0 375.803 2.133 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415487254 532847267 /nfs/dbraw/zinc/84/72/67/532847267.db2.gz SZNARUXQLRTRMK-UHFFFAOYSA-N 1 0 378.217 2.109 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000289094648 532847278 /nfs/dbraw/zinc/84/72/78/532847278.db2.gz PCPKRBQADSXLFO-FZMZJTMJSA-N 1 0 383.290 2.238 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415493191 532847290 /nfs/dbraw/zinc/84/72/90/532847290.db2.gz GLBRZBWJEKJFBV-LBPRGKRZSA-N 1 0 386.265 2.111 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415501982 532848094 /nfs/dbraw/zinc/84/80/94/532848094.db2.gz SDZBBMHLWVANNV-MRVPVSSYSA-N 1 0 378.217 2.300 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000415500818 532847734 /nfs/dbraw/zinc/84/77/34/532847734.db2.gz LMFYJPNDTVFWHX-CQSZACIVSA-N 1 0 382.302 2.170 20 0 GEADRO [NH3+][C@H](CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1)C1CC1 ZINC000415502830 532847862 /nfs/dbraw/zinc/84/78/62/532847862.db2.gz QTCVMNVQQGTKIH-LLVKDONJSA-N 1 0 382.287 2.826 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415514732 532848231 /nfs/dbraw/zinc/84/82/31/532848231.db2.gz CKFXARZDHNJASD-UHFFFAOYSA-N 1 0 384.267 2.233 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415506966 532848329 /nfs/dbraw/zinc/84/83/29/532848329.db2.gz UKRGKQWSFDUTRP-LLVKDONJSA-N 1 0 382.287 2.923 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415514241 532848500 /nfs/dbraw/zinc/84/85/00/532848500.db2.gz ZDMJNLPRYPFYSC-SSDOTTSWSA-N 1 0 382.180 2.117 20 0 GEADRO O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000415522749 532848747 /nfs/dbraw/zinc/84/87/47/532848747.db2.gz QNYKSWSHAUKFMA-LLVKDONJSA-N 1 0 386.283 2.064 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)C1CC1 ZINC000415531860 532848772 /nfs/dbraw/zinc/84/87/72/532848772.db2.gz FGPAIKYACBIOKN-SNVBAGLBSA-N 1 0 377.844 2.489 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415507626 532848517 /nfs/dbraw/zinc/84/85/17/532848517.db2.gz WEQDHPGYOSYXJT-BQBZGAKWSA-N 1 0 388.266 2.964 20 0 GEADRO O=C(Nc1nc2ccc(I)cc2s1)N1CC[NH2+]CC1 ZINC000415527828 532848951 /nfs/dbraw/zinc/84/89/51/532848951.db2.gz KMRMGYOOBCGSDS-UHFFFAOYSA-N 1 0 388.234 2.338 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)n1 ZINC000415537983 532849260 /nfs/dbraw/zinc/84/92/60/532849260.db2.gz IKOIFWMZNDZQJX-AWEZNQCLSA-N 1 0 376.507 2.395 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000415551060 532849982 /nfs/dbraw/zinc/84/99/82/532849982.db2.gz NPPOLQWNLPJGMB-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)[C@@H](C)C[NH2+]1 ZINC000415551445 532849827 /nfs/dbraw/zinc/84/98/27/532849827.db2.gz DMHMHZXUXARLLI-MNOVXSKESA-N 1 0 391.269 2.145 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000415551140 532849883 /nfs/dbraw/zinc/84/98/83/532849883.db2.gz NZYVFENGCZLGMH-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415559693 532849915 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C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415560823 532850429 /nfs/dbraw/zinc/85/04/29/532850429.db2.gz VPBCPNKZWPNRPP-ZETCQYMHSA-N 1 0 398.179 2.140 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)[C@@H](C)C[NH2+]1 ZINC000415575295 532851027 /nfs/dbraw/zinc/85/10/27/532851027.db2.gz XDBISGOJUHRMSZ-MNOVXSKESA-N 1 0 391.269 2.145 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415572629 532850853 /nfs/dbraw/zinc/85/08/53/532850853.db2.gz OSQBJLXPYFWENY-INIZCTEOSA-N 1 0 386.265 2.341 20 0 GEADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415573387 532850965 /nfs/dbraw/zinc/85/09/65/532850965.db2.gz CCGNOXVITMHOLK-QMMMGPOBSA-N 1 0 386.168 2.131 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415609000 532851202 /nfs/dbraw/zinc/85/12/02/532851202.db2.gz GNZAADZOKAZZLN-SKDRFNHKSA-N 1 0 375.803 2.037 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332283578 532851476 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COc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415746166 532855476 /nfs/dbraw/zinc/85/54/76/532855476.db2.gz SOVOEGHRJBEOHD-HAQNSBGRSA-N 1 0 398.301 2.278 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415743204 532855552 /nfs/dbraw/zinc/85/55/52/532855552.db2.gz NWJUPBFAJBJYKE-MRVPVSSYSA-N 1 0 378.217 2.300 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415744888 532855558 /nfs/dbraw/zinc/85/55/58/532855558.db2.gz LOKMCTKLRRRJFJ-GOEBONIOSA-N 1 0 394.313 2.454 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415756618 532855872 /nfs/dbraw/zinc/85/58/72/532855872.db2.gz LWDBCXVJPVFVSL-UHFFFAOYSA-N 1 0 378.274 2.898 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CCO1 ZINC000274742628 532855901 /nfs/dbraw/zinc/85/59/01/532855901.db2.gz FHCNQIHETJBYNE-JTQLQIEISA-N 1 0 383.235 2.375 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415761322 532855960 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Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)n2)s1 ZINC000415766793 532856378 /nfs/dbraw/zinc/85/63/78/532856378.db2.gz MHLPOOMZKAWSOX-NWDGAFQWSA-N 1 0 376.507 2.329 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415763043 532856429 /nfs/dbraw/zinc/85/64/29/532856429.db2.gz XEABDQYXQHURCM-AWEZNQCLSA-N 1 0 378.274 2.980 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415767766 532856478 /nfs/dbraw/zinc/85/64/78/532856478.db2.gz BIGFXLAFTYZOBD-SNVBAGLBSA-N 1 0 375.210 2.173 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415766768 532856484 /nfs/dbraw/zinc/85/64/84/532856484.db2.gz MEMGXWRUAOPYSN-GXSJLCMTSA-N 1 0 386.677 2.251 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415769798 532856535 /nfs/dbraw/zinc/85/65/35/532856535.db2.gz ASFHBZWIJLVRKT-LBPRGKRZSA-N 1 0 385.281 2.408 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000332504907 532856858 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20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)n2)s1 ZINC000415900655 532862067 /nfs/dbraw/zinc/86/20/67/532862067.db2.gz WKWUHPHSAXXIPT-NWDGAFQWSA-N 1 0 376.507 2.186 20 0 GEADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275045952 532862225 /nfs/dbraw/zinc/86/22/25/532862225.db2.gz GLQPAPLIMFTRIH-ZIAGYGMSSA-N 1 0 390.933 2.374 20 0 GEADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275045950 532862367 /nfs/dbraw/zinc/86/23/67/532862367.db2.gz GLQPAPLIMFTRIH-UONOGXRCSA-N 1 0 390.933 2.374 20 0 GEADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415974067 532862425 /nfs/dbraw/zinc/86/24/25/532862425.db2.gz RDMSTGZSTFSRCM-NXEZZACHSA-N 1 0 381.420 2.449 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000332887787 532862434 /nfs/dbraw/zinc/86/24/34/532862434.db2.gz LINNFXDWCUOOBI-UHOFOFEASA-N 1 0 381.929 2.454 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCc1nc2c(cccc2Br)[nH]1)C(F)(F)F ZINC000415999697 532862550 /nfs/dbraw/zinc/86/25/50/532862550.db2.gz WTKDNABUKVFHNQ-SECBINFHSA-N 1 0 394.195 2.404 20 0 GEADRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000275078799 532863857 /nfs/dbraw/zinc/86/38/57/532863857.db2.gz CQWVQBKBTQPUFB-RYUDHWBXSA-N 1 0 380.794 2.080 20 0 GEADRO OCc1cn(CCC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)nn1 ZINC000289717251 532863888 /nfs/dbraw/zinc/86/38/88/532863888.db2.gz FIVCLUDUEZHBFJ-UHFFFAOYSA-N 1 0 391.273 2.103 20 0 GEADRO COc1cc(Br)c(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1O ZINC000333132766 532864270 /nfs/dbraw/zinc/86/42/70/532864270.db2.gz JTSVKGPVNDZXOB-HIFRSBDPSA-N 1 0 397.313 2.364 20 0 GEADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289794984 532865126 /nfs/dbraw/zinc/86/51/26/532865126.db2.gz OQDFMKYGDRETJK-QWHCGFSZSA-N 1 0 375.270 2.316 20 0 GEADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289794980 532865131 /nfs/dbraw/zinc/86/51/31/532865131.db2.gz OQDFMKYGDRETJK-OLZOCXBDSA-N 1 0 375.270 2.316 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1=O ZINC000333144618 532864882 /nfs/dbraw/zinc/86/48/82/532864882.db2.gz LMTFUJRJMZLNJS-CYBMUJFWSA-N 1 0 383.290 2.144 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)CCSC1 ZINC000275146624 532866371 /nfs/dbraw/zinc/86/63/71/532866371.db2.gz MXPRUIRJGRHZOF-ZBFHGGJFSA-N 1 0 376.444 2.162 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333276792 532866602 /nfs/dbraw/zinc/86/66/02/532866602.db2.gz GXYHIQNVZHSZFS-RYUDHWBXSA-N 1 0 398.305 2.072 20 0 GEADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333339755 532867120 /nfs/dbraw/zinc/86/71/20/532867120.db2.gz PNHIATPFEGOEPS-ZJUUUORDSA-N 1 0 381.864 3.071 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000333315098 532866815 /nfs/dbraw/zinc/86/68/15/532866815.db2.gz MFQJYEYZPJTIKF-SECBINFHSA-N 1 0 382.287 2.923 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333336757 532866907 /nfs/dbraw/zinc/86/69/07/532866907.db2.gz PBLZFWYNAIBJSM-WFASDCNBSA-N 1 0 390.285 2.851 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000333342340 532867054 /nfs/dbraw/zinc/86/70/54/532867054.db2.gz YKAUHJFSMUVCEZ-BLLLJJGKSA-N 1 0 397.317 2.408 20 0 GEADRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1I ZINC000289883999 532867248 /nfs/dbraw/zinc/86/72/48/532867248.db2.gz SDZOFBJFTJMRDU-NSHDSACASA-N 1 0 386.237 2.116 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CCCS1(=O)=O ZINC000289903418 532867698 /nfs/dbraw/zinc/86/76/98/532867698.db2.gz YQWAGWYNDNMDGB-LLVKDONJSA-N 1 0 379.295 2.144 20 0 GEADRO Cc1ccc(Br)c(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000333358977 532867751 /nfs/dbraw/zinc/86/77/51/532867751.db2.gz COXOUJWAIIOROV-GXTWGEPZSA-N 1 0 378.274 2.450 20 0 GEADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000275187717 532868055 /nfs/dbraw/zinc/86/80/55/532868055.db2.gz CIMSPFKXVDKESP-DAXOMENPSA-N 1 0 385.555 2.315 20 0 GEADRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCn1cc(Br)cn1 ZINC000416243541 532868560 /nfs/dbraw/zinc/86/85/60/532868560.db2.gz OTBZGJLNCYVKML-UHFFFAOYSA-N 1 0 377.286 2.210 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000289944049 532869121 /nfs/dbraw/zinc/86/91/21/532869121.db2.gz BGTHSACVQQBXSF-GFCCVEGCSA-N 1 0 380.491 2.453 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cnc4ccsc4c3)CC2)C1 ZINC000333473830 532869173 /nfs/dbraw/zinc/86/91/73/532869173.db2.gz BDVGEWHNRLZYLA-BBRMVZONSA-N 1 0 381.523 2.203 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1([NH+](C)C)CC1 ZINC000416287849 532869175 /nfs/dbraw/zinc/86/91/75/532869175.db2.gz FRHZWTABXDTHHV-HNNXBMFYSA-N 1 0 383.945 2.402 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000333478068 532869620 /nfs/dbraw/zinc/86/96/20/532869620.db2.gz BSDDPQAVTJUERZ-BBRMVZONSA-N 1 0 376.881 2.386 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc(Br)c4)C3)C[C@H]12 ZINC000333503439 532870019 /nfs/dbraw/zinc/87/00/19/532870019.db2.gz DNRHJINVOYPFSA-QIJZBDPFSA-N 1 0 393.329 2.407 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)nc12 ZINC000275240258 532870071 /nfs/dbraw/zinc/87/00/71/532870071.db2.gz KCVCZKFDDYOZDE-ZDUSSCGKSA-N 1 0 394.317 2.498 20 0 GEADRO CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1S(C)(=O)=O ZINC000290004686 532869921 /nfs/dbraw/zinc/86/99/21/532869921.db2.gz RXEKUQFYDYDJOZ-LBPRGKRZSA-N 1 0 379.507 2.177 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1cc(F)ccc1Br ZINC000416307711 532870396 /nfs/dbraw/zinc/87/03/96/532870396.db2.gz LDULSLHYKQJSGJ-QWHCGFSZSA-N 1 0 387.293 2.434 20 0 GEADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333533243 532870529 /nfs/dbraw/zinc/87/05/29/532870529.db2.gz JNFPZHMKNAQRHF-APHBMKBZSA-N 1 0 392.297 2.012 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2c[nH]c3cccc(Br)c23)[C@@H](C)C[N@@H+]1CCO ZINC000416317545 532871146 /nfs/dbraw/zinc/87/11/46/532871146.db2.gz WZJAPKGAHJZMGO-OLZOCXBDSA-N 1 0 394.313 2.386 20 0 GEADRO O=C(c1cnc2ccc(Br)cc2c1O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000333566395 532871027 /nfs/dbraw/zinc/87/10/27/532871027.db2.gz SNCSZTOLSCDVCR-LBPRGKRZSA-N 1 0 376.254 2.211 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Cl)ncc1Br ZINC000290076768 532871784 /nfs/dbraw/zinc/87/17/84/532871784.db2.gz OKLVKHULFJPHHM-UHFFFAOYSA-N 1 0 389.725 2.207 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000333659768 532871574 /nfs/dbraw/zinc/87/15/74/532871574.db2.gz LILUFNULKACENF-OAHLLOKOSA-N 1 0 385.295 2.213 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000333645910 532871685 /nfs/dbraw/zinc/87/16/85/532871685.db2.gz IZTODFQRQJYVBM-OAHLLOKOSA-N 1 0 395.301 2.171 20 0 GEADRO C[C@@H]1OCC[C@]12CN(C(=O)Nc1cc(N(C)C)c(Br)cn1)CCO2 ZINC000333693826 532872124 /nfs/dbraw/zinc/87/21/24/532872124.db2.gz QSPBSLWNQGCZQY-ZBEGNZNMSA-N 1 0 399.289 2.322 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000333698227 532871835 /nfs/dbraw/zinc/87/18/35/532871835.db2.gz QMGJOGIWEIXCJM-LBPRGKRZSA-N 1 0 385.295 2.213 20 0 GEADRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000290087562 532872378 /nfs/dbraw/zinc/87/23/78/532872378.db2.gz HEHAOZMKWLLJLC-IINYFYTJSA-N 1 0 391.331 2.298 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333720802 532872461 /nfs/dbraw/zinc/87/24/61/532872461.db2.gz GOHIAGCQZKLENJ-IMSIIYSGSA-N 1 0 384.249 2.273 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000333729062 532872582 /nfs/dbraw/zinc/87/25/82/532872582.db2.gz VVTPAXVWQTVNQC-RDJZCZTQSA-N 1 0 388.917 2.256 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CCCO1 ZINC000333742660 532872815 /nfs/dbraw/zinc/87/28/15/532872815.db2.gz JBHMHVNPQQBLEK-FVQBIDKESA-N 1 0 382.302 2.454 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3COc4cc(F)c(Br)cc43)C[C@H]12 ZINC000333794499 532873277 /nfs/dbraw/zinc/87/32/77/532873277.db2.gz MZNZAMWINUAIFS-BQAVTBIBSA-N 1 0 384.249 2.400 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000333790374 532873493 /nfs/dbraw/zinc/87/34/93/532873493.db2.gz GDTUJEIROFPDJL-RISCZKNCSA-N 1 0 378.274 2.096 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000416378499 532873782 /nfs/dbraw/zinc/87/37/82/532873782.db2.gz XNXKORWGFDCTJK-UHFFFAOYSA-N 1 0 387.933 2.161 20 0 GEADRO Cc1cc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)sc1Cl ZINC000333857100 532873801 /nfs/dbraw/zinc/87/38/01/532873801.db2.gz OWVMQKUNHLXILA-UHFFFAOYSA-N 1 0 377.963 2.205 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)NC[C@H]1C[NH2+]CCCO1)CC2 ZINC000333778395 532873636 /nfs/dbraw/zinc/87/36/36/532873636.db2.gz DJOPRCSKJGMNJI-CQSZACIVSA-N 1 0 382.302 2.204 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000333883119 532874353 /nfs/dbraw/zinc/87/43/53/532874353.db2.gz WPQCMHGVKJHOFF-ZSHCYNCHSA-N 1 0 379.302 2.253 20 0 GEADRO CCOC(=O)CSc1cncc(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)n1 ZINC000275397337 532874990 /nfs/dbraw/zinc/87/49/90/532874990.db2.gz DGJZBRDYMUTHFR-KBPBESRZSA-N 1 0 382.555 2.148 20 0 GEADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000333874382 532874743 /nfs/dbraw/zinc/87/47/43/532874743.db2.gz SMGPSTTVALUBSH-UHFFFAOYSA-N 1 0 392.352 2.488 20 0 GEADRO Brc1cc(C[NH2+][C@H]2CCc3nnnn3CC2)cc2c1OCCCO2 ZINC000333899934 532875212 /nfs/dbraw/zinc/87/52/12/532875212.db2.gz YZUHLMVFUMMSEP-LBPRGKRZSA-N 1 0 394.273 2.092 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3nc4ccc(Br)cn4n3)CC[C@@H]21 ZINC000333934984 532876063 /nfs/dbraw/zinc/87/60/63/532876063.db2.gz JARAGHCWBKOOIR-AAEUAGOBSA-N 1 0 378.274 2.048 20 0 GEADRO O=C(NCCc1ccc(F)c(Br)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417184506 532878994 /nfs/dbraw/zinc/87/89/94/532878994.db2.gz RETFREZWPGNUJJ-GFCCVEGCSA-N 1 0 380.208 2.427 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000290386619 532879634 /nfs/dbraw/zinc/87/96/34/532879634.db2.gz MBOXUUCTAWRKIU-LLVKDONJSA-N 1 0 384.830 2.337 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccc(I)s1 ZINC000417443639 532879796 /nfs/dbraw/zinc/87/97/96/532879796.db2.gz ZCFPZNXASOHWCQ-UWVGGRQHSA-N 1 0 393.294 2.274 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CCC(C[NH3+])CC2)cc1OC ZINC000417447140 532879850 /nfs/dbraw/zinc/87/98/50/532879850.db2.gz ONATYHPDJDOFMH-UHFFFAOYSA-N 1 0 386.290 2.347 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418922711 532881569 /nfs/dbraw/zinc/88/15/69/532881569.db2.gz DTXSBNFBPVQXJC-OAHLLOKOSA-N 1 0 382.302 2.132 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418931320 532881685 /nfs/dbraw/zinc/88/16/85/532881685.db2.gz GVXZXIWOAMQZCY-XHDPSFHLSA-N 1 0 382.302 2.131 20 0 GEADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cnc([C@H](C)O)s2)cc1 ZINC000290492083 532881993 /nfs/dbraw/zinc/88/19/93/532881993.db2.gz VZINLPZUEWRNGL-ZDUSSCGKSA-N 1 0 383.539 2.314 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1Br ZINC000275712703 532882031 /nfs/dbraw/zinc/88/20/31/532882031.db2.gz HDOYHMVHTCAXFP-SNVBAGLBSA-N 1 0 392.319 2.026 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000275748533 532882694 /nfs/dbraw/zinc/88/26/94/532882694.db2.gz XYYSZAYQQJXYSR-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000419870845 532883002 /nfs/dbraw/zinc/88/30/02/532883002.db2.gz DUNXIPREKNKVDW-NEPJUHHUSA-N 1 0 388.295 2.087 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419874545 532883312 /nfs/dbraw/zinc/88/33/12/532883312.db2.gz ZXUFRVNGTAVDBN-HNNXBMFYSA-N 1 0 396.329 2.302 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419870108 532883345 /nfs/dbraw/zinc/88/33/45/532883345.db2.gz RXSAKWBGIOHKHD-OAHLLOKOSA-N 1 0 382.302 2.040 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000419883854 532883351 /nfs/dbraw/zinc/88/33/51/532883351.db2.gz FDZXTMGRYHXIMM-RYUDHWBXSA-N 1 0 388.295 2.087 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)C1CC1 ZINC000419879171 532883356 /nfs/dbraw/zinc/88/33/56/532883356.db2.gz ZJRIJCWYBVMGOP-MRXNPFEDSA-N 1 0 381.929 2.277 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420451528 532883637 /nfs/dbraw/zinc/88/36/37/532883637.db2.gz BJZITQVKIIIZBQ-SWLSCSKDSA-N 1 0 386.901 2.279 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418419294 532880742 /nfs/dbraw/zinc/88/07/42/532880742.db2.gz YRJSVTVYAGXYLV-LBPRGKRZSA-N 1 0 382.262 2.282 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418410264 532880792 /nfs/dbraw/zinc/88/07/92/532880792.db2.gz PDEXDJCXUGCUPW-XHDPSFHLSA-N 1 0 390.297 2.022 20 0 GEADRO CCC[NH2+]CCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000418470274 532881092 /nfs/dbraw/zinc/88/10/92/532881092.db2.gz IVLDIMHLFZJYCB-UHFFFAOYSA-N 1 0 387.311 2.460 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418447102 532881191 /nfs/dbraw/zinc/88/11/91/532881191.db2.gz OXXSDSOAABSOEG-FZMZJTMJSA-N 1 0 376.270 2.438 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418463101 532881316 /nfs/dbraw/zinc/88/13/16/532881316.db2.gz KXOTWDDKMYJURD-IUODEOHRSA-N 1 0 397.317 2.149 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418449718 532881346 /nfs/dbraw/zinc/88/13/46/532881346.db2.gz TTZQODJCQCJSFP-LBPRGKRZSA-N 1 0 378.336 2.388 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418931319 532881500 /nfs/dbraw/zinc/88/15/00/532881500.db2.gz GVXZXIWOAMQZCY-NHYWBVRUSA-N 1 0 382.302 2.131 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)C[C@H]21 ZINC000418909528 532881515 /nfs/dbraw/zinc/88/15/15/532881515.db2.gz JIJUFNYVEXXEFK-DAXOMENPSA-N 1 0 381.929 2.134 20 0 GEADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000275915724 532885546 /nfs/dbraw/zinc/88/55/46/532885546.db2.gz SFDDYOZHHKUFCL-UHFFFAOYSA-N 1 0 382.675 2.328 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000420897672 532887036 /nfs/dbraw/zinc/88/70/36/532887036.db2.gz YIKKKTVZHXTEDZ-YMAMQOFZSA-N 1 0 397.317 2.148 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(F)c1)C1=CC[N@H+](C)CC1 ZINC000276142228 532889622 /nfs/dbraw/zinc/88/96/22/532889622.db2.gz QMJSOOUTFVPZLG-JTQLQIEISA-N 1 0 384.249 2.293 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC([NH2+]CCCOC[C@H]2CCCO2)CC1 ZINC000360038478 532888977 /nfs/dbraw/zinc/88/89/77/532888977.db2.gz HQXBSZGOIMOUJM-MRXNPFEDSA-N 1 0 388.555 2.077 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421176636 532889150 /nfs/dbraw/zinc/88/91/50/532889150.db2.gz FKWAUOGVIUVYQD-GFCCVEGCSA-N 1 0 382.302 2.185 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)ncc1Br ZINC000290846983 532890966 /nfs/dbraw/zinc/89/09/66/532890966.db2.gz YLPBSNRZWQMPHP-SNVBAGLBSA-N 1 0 390.709 2.415 20 0 GEADRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000421831983 532890956 /nfs/dbraw/zinc/89/09/56/532890956.db2.gz FKMPAUWOUZIJSN-HIFRSBDPSA-N 1 0 390.933 2.488 20 0 GEADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)Nc1ccc(Br)cc1 ZINC000360913758 532891042 /nfs/dbraw/zinc/89/10/42/532891042.db2.gz RTZBSGBBIMWOFR-IRXDYDNUSA-N 1 0 396.329 2.309 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(OC)c(I)n1 ZINC000276206999 532891417 /nfs/dbraw/zinc/89/14/17/532891417.db2.gz KTRGOMPUVUWGRO-UHFFFAOYSA-N 1 0 391.253 2.109 20 0 GEADRO CNC(=O)C(C)(C)C[NH2+]Cc1c(Br)cncc1Br ZINC000290911458 532892005 /nfs/dbraw/zinc/89/20/05/532892005.db2.gz PHMCJTWHLHLPKM-UHFFFAOYSA-N 1 0 379.096 2.468 20 0 GEADRO Cc1cc(Br)oc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000361201711 532892492 /nfs/dbraw/zinc/89/24/92/532892492.db2.gz OFVIPCNHGGGQQD-KGLIPLIRSA-N 1 0 384.318 2.449 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000290925065 532892558 /nfs/dbraw/zinc/89/25/58/532892558.db2.gz KDCZECVGHPZEJX-CYBMUJFWSA-N 1 0 376.469 2.462 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1COc2ccc(Br)cc21 ZINC000360733585 532890508 /nfs/dbraw/zinc/89/05/08/532890508.db2.gz LXHJKFMNNRGYGB-GOEBONIOSA-N 1 0 395.297 2.295 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCOCC(F)(F)C(F)F)CCC2 ZINC000290827454 532890513 /nfs/dbraw/zinc/89/05/13/532890513.db2.gz XLQDSIAHTRVRNK-ZDUSSCGKSA-N 1 0 384.395 2.218 20 0 GEADRO CN(CC[NH3+])C(=O)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000423038203 532893087 /nfs/dbraw/zinc/89/30/87/532893087.db2.gz NYZKRLZPZLWRCD-UHFFFAOYSA-N 1 0 380.901 2.073 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423097140 532893333 /nfs/dbraw/zinc/89/33/33/532893333.db2.gz IWARUMVLEVATPS-CZUORRHYSA-N 1 0 396.329 2.382 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cc(Br)cn1C ZINC000361431267 532893645 /nfs/dbraw/zinc/89/36/45/532893645.db2.gz YFLBAFHVPYGAEJ-YUELXQCFSA-N 1 0 384.318 2.407 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423106239 532893952 /nfs/dbraw/zinc/89/39/52/532893952.db2.gz RFBMZIQRRXNYLA-SFHVURJKSA-N 1 0 394.313 2.010 20 0 GEADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000423105940 532893973 /nfs/dbraw/zinc/89/39/73/532893973.db2.gz NVGDERRUGBXNQT-BBRMVZONSA-N 1 0 394.313 2.122 20 0 GEADRO O=C(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(I)cc1 ZINC000423100857 532894283 /nfs/dbraw/zinc/89/42/83/532894283.db2.gz HTNAKCXYSBROSA-PBWFPOADSA-N 1 0 385.249 2.102 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000361943313 532894609 /nfs/dbraw/zinc/89/46/09/532894609.db2.gz KXZCAYKIWLDFSC-CYBMUJFWSA-N 1 0 380.286 2.474 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(Br)n1 ZINC000362292437 532895366 /nfs/dbraw/zinc/89/53/66/532895366.db2.gz BDHCAPOAGCTHFL-CYBMUJFWSA-N 1 0 395.301 2.178 20 0 GEADRO O=C(c1ccncc1I)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000362413692 532896133 /nfs/dbraw/zinc/89/61/33/532896133.db2.gz NJCADMZYFNJVDS-GFCCVEGCSA-N 1 0 385.249 2.387 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2cnc(OC)c(Br)c2)CC1 ZINC000424642593 532897083 /nfs/dbraw/zinc/89/70/83/532897083.db2.gz LAUOHGPVDNNDHW-UHFFFAOYSA-N 1 0 386.290 2.083 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000291197529 532897798 /nfs/dbraw/zinc/89/77/98/532897798.db2.gz AYSUVLFEHSQNOP-DGCLKSJQSA-N 1 0 397.317 2.328 20 0 GEADRO CS(=O)(=O)NCC1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291269517 532899480 /nfs/dbraw/zinc/89/94/80/532899480.db2.gz XWYZTEHGSOUBFC-OAHLLOKOSA-N 1 0 380.432 2.000 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)cnc1Br ZINC000291293341 532899712 /nfs/dbraw/zinc/89/97/12/532899712.db2.gz JBDAHBNFLHLUKP-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO O=C(CCOc1ccccc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363593101 532899842 /nfs/dbraw/zinc/89/98/42/532899842.db2.gz MJEFZAUJZOMFQY-KBPBESRZSA-N 1 0 383.286 2.197 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)C1 ZINC000363664238 532900012 /nfs/dbraw/zinc/90/00/12/532900012.db2.gz WZQXHKIJGFVDMA-QGZVFWFLSA-N 1 0 380.330 2.230 20 0 GEADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)Nc1ccccc1Br ZINC000363672005 532900129 /nfs/dbraw/zinc/90/01/29/532900129.db2.gz MABUFWPPYSVTOW-LSDHHAIUSA-N 1 0 396.329 2.309 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cc3cccc(Br)c3)CC2)C1 ZINC000363660823 532900419 /nfs/dbraw/zinc/90/04/19/532900419.db2.gz OHEKVBIKFSUGFV-KRWDZBQOSA-N 1 0 380.330 2.230 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccc(Br)cc1 ZINC000363733629 532900441 /nfs/dbraw/zinc/90/04/41/532900441.db2.gz GFAYGMCHMLNQTN-GRDNDAEWSA-N 1 0 381.270 2.169 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)ccc1Cl ZINC000363744076 532900445 /nfs/dbraw/zinc/90/04/45/532900445.db2.gz LGCMADCOFFJHQB-DYVFJYSZSA-N 1 0 385.917 2.309 20 0 GEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(Br)cc3)C2)CC1 ZINC000363338134 532898634 /nfs/dbraw/zinc/89/86/34/532898634.db2.gz AEHGFPUWCPIADJ-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/90/12/85/532901285.db2.gz LJHTYKMWJXEXSB-GDBMZVCRSA-N 1 0 377.286 2.428 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000364005074 532902765 /nfs/dbraw/zinc/90/27/65/532902765.db2.gz UUUFXDNUHHRMOK-MGPQQGTHSA-N 1 0 382.302 2.476 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000364175791 532904241 /nfs/dbraw/zinc/90/42/41/532904241.db2.gz MZTAYQIHIXDDPP-HZPDHXFCSA-N 1 0 394.313 2.312 20 0 GEADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364213303 532904888 /nfs/dbraw/zinc/90/48/88/532904888.db2.gz HNQJQGVCVBXRTG-QMTHXVAHSA-N 1 0 377.388 2.015 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000291636670 532905734 /nfs/dbraw/zinc/90/57/34/532905734.db2.gz GYHNMYJARXMMRR-LBPRGKRZSA-N 1 0 399.504 2.319 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CS(C)(=O)=O)o2)[C@@H]1c1cccs1 ZINC000364313280 532906011 /nfs/dbraw/zinc/90/60/11/532906011.db2.gz DAXOTQGIPYLDSY-BLLLJJGKSA-N 1 0 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532907776 /nfs/dbraw/zinc/90/77/76/532907776.db2.gz KMIAEIRHGLQCOU-UHFFFAOYSA-N 1 0 385.306 2.281 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000291833071 532909251 /nfs/dbraw/zinc/90/92/51/532909251.db2.gz SDOIMCLJAMBNOX-UHFFFAOYSA-N 1 0 378.420 2.433 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1I ZINC000365355891 532909988 /nfs/dbraw/zinc/90/99/88/532909988.db2.gz NMFANXWYRXXZTP-GWCFXTLKSA-N 1 0 386.233 2.124 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000365226196 532908860 /nfs/dbraw/zinc/90/88/60/532908860.db2.gz ZOWCJHVWTFJCDG-ZKYQVNSYSA-N 1 0 389.315 2.206 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000365243208 532908868 /nfs/dbraw/zinc/90/88/68/532908868.db2.gz ASIMTJWKDUXOFV-WDEREUQCSA-N 1 0 390.242 2.050 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000365226194 532909023 /nfs/dbraw/zinc/90/90/23/532909023.db2.gz ZOWCJHVWTFJCDG-SUHUHFCYSA-N 1 0 389.315 2.206 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cnc1Br ZINC000291978189 532911514 /nfs/dbraw/zinc/91/15/14/532911514.db2.gz FINVAGGTVLVIBM-GFCCVEGCSA-N 1 0 385.306 2.328 20 0 GEADRO Cn1ncc(I)c1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000292320114 532915338 /nfs/dbraw/zinc/91/53/38/532915338.db2.gz RFHHQSSQZJNVAF-UHFFFAOYSA-N 1 0 398.248 2.381 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(I)cnn1C ZINC000292346583 532915565 /nfs/dbraw/zinc/91/55/65/532915565.db2.gz TWNBYNVYFBGACP-NSHDSACASA-N 1 0 392.285 2.265 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000366274588 532915702 /nfs/dbraw/zinc/91/57/02/532915702.db2.gz UXBLOVHJSGGJAY-CQSZACIVSA-N 1 0 385.555 2.169 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1Br ZINC000292092670 532912922 /nfs/dbraw/zinc/91/29/22/532912922.db2.gz SOOCCNWIDWOLPX-OAHLLOKOSA-N 1 0 389.315 2.174 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000292103314 532913248 /nfs/dbraw/zinc/91/32/48/532913248.db2.gz SAENHXWYXCHLQR-GXTWGEPZSA-N 1 0 395.301 2.176 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(F)ccc3Br)C2)C1 ZINC000292145355 532913662 /nfs/dbraw/zinc/91/36/62/532913662.db2.gz ZKYVDHNQXQZDPN-CQSZACIVSA-N 1 0 377.279 2.305 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000366336923 532916438 /nfs/dbraw/zinc/91/64/38/532916438.db2.gz BNGQNSPOZJVLTJ-GJZGRUSLSA-N 1 0 386.279 2.301 20 0 GEADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)CC[C@@H]12 ZINC000366358712 532916599 /nfs/dbraw/zinc/91/65/99/532916599.db2.gz SWDTXPYMHAPQQR-ZIAGYGMSSA-N 1 0 390.237 2.199 20 0 GEADRO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]12 ZINC000366358709 532916762 /nfs/dbraw/zinc/91/67/62/532916762.db2.gz SWDTXPYMHAPQQR-KBPBESRZSA-N 1 0 390.237 2.199 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000366383706 532916806 /nfs/dbraw/zinc/91/68/06/532916806.db2.gz ZHBGDTLYKRXXAJ-RYUDHWBXSA-N 1 0 391.509 2.366 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCCCn3cc(Br)cn3)C2)C1 ZINC000292628781 532916965 /nfs/dbraw/zinc/91/69/65/532916965.db2.gz MPEWLPWVVFPWDU-MRXNPFEDSA-N 1 0 384.322 2.163 20 0 GEADRO C[C@H](OC[C@H](O)CN1CC[C@@H](CS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000366416090 532917205 /nfs/dbraw/zinc/91/72/05/532917205.db2.gz GBVKNNLJBAXBHI-JJRVBVJISA-N 1 0 375.918 2.145 20 0 GEADRO Cn1ncc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1I ZINC000292703148 532917859 /nfs/dbraw/zinc/91/78/59/532917859.db2.gz DIVHEANOTSAZNK-UHFFFAOYSA-N 1 0 390.269 2.017 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292789583 532918708 /nfs/dbraw/zinc/91/87/08/532918708.db2.gz LIPUBHITQDCLNQ-QGZVFWFLSA-N 1 0 386.901 2.233 20 0 GEADRO C[NH+](C)CC(C)(C)CNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000292789333 532918745 /nfs/dbraw/zinc/91/87/45/532918745.db2.gz NFXWAYZIAQSVOO-UHFFFAOYSA-N 1 0 380.290 2.390 20 0 GEADRO O=C(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366539254 532918852 /nfs/dbraw/zinc/91/88/52/532918852.db2.gz ZGQHPZICJRNQPA-IUIKQTSFSA-N 1 0 382.291 2.418 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)[C@@H]1COCCN1C1CCCC1 ZINC000366554611 532918863 /nfs/dbraw/zinc/91/88/63/532918863.db2.gz XKDCXQCJHNKJPH-INIZCTEOSA-N 1 0 399.333 2.185 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3nc(-c4cccs4)cs3)C2)C1 ZINC000293105565 532922051 /nfs/dbraw/zinc/92/20/51/532922051.db2.gz CJIIFPMMJJGDGL-KRWDZBQOSA-N 1 0 376.507 2.364 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000366941884 532922140 /nfs/dbraw/zinc/92/21/40/532922140.db2.gz VILUECXRLFHEGC-NGFQHRJXSA-N 1 0 388.917 2.397 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000366935441 532922233 /nfs/dbraw/zinc/92/22/33/532922233.db2.gz IELHRJXJSZXKOC-UHFFFAOYSA-N 1 0 389.315 2.222 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000366593845 532919294 /nfs/dbraw/zinc/91/92/94/532919294.db2.gz JXGYYJIBMCWPJF-GJZGRUSLSA-N 1 0 392.297 2.060 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292900703 532919705 /nfs/dbraw/zinc/91/97/05/532919705.db2.gz DKQJINLVFLYRTP-NFAWXSAZSA-N 1 0 392.297 2.012 20 0 GEADRO Cn1ncc(CCC[NH2+]Cc2c(F)ccc(I)c2F)n1 ZINC000292932029 532920129 /nfs/dbraw/zinc/92/01/29/532920129.db2.gz JBDJXNNEXRHNKB-UHFFFAOYSA-N 1 0 392.191 2.420 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000366812254 532921327 /nfs/dbraw/zinc/92/13/27/532921327.db2.gz SYRPVWAQFZLVMV-BXKDBHETSA-N 1 0 399.314 2.028 20 0 GEADRO Cn1cc(Br)c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)n1 ZINC000293071377 532921516 /nfs/dbraw/zinc/92/15/16/532921516.db2.gz CEYXZYOWENOFSF-UHFFFAOYSA-N 1 0 377.286 2.012 20 0 GEADRO Cn1ncc(C(=O)NCc2cccc(C[NH+](C)C)c2)c1I ZINC000293079240 532921524 /nfs/dbraw/zinc/92/15/24/532921524.db2.gz NROJAHWIOLFUNT-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(c2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000293124652 532922523 /nfs/dbraw/zinc/92/25/23/532922523.db2.gz RFKMCBNRTQEMLK-ZDUSSCGKSA-N 1 0 392.301 2.168 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2cccc(O)c2Cl)c1 ZINC000293170996 532923086 /nfs/dbraw/zinc/92/30/86/532923086.db2.gz GOWTVMLVVHSPES-UHFFFAOYSA-N 1 0 383.901 2.498 20 0 GEADRO Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000367167303 532923205 /nfs/dbraw/zinc/92/32/05/532923205.db2.gz YXYTWZOALDPJQP-GFCCVEGCSA-N 1 0 379.869 2.381 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000367196278 532923411 /nfs/dbraw/zinc/92/34/11/532923411.db2.gz RJWFSFAUKUCICR-VIFPVBQESA-N 1 0 381.267 2.017 20 0 GEADRO CSc1nc2ncnc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2s1 ZINC000367199065 532923618 /nfs/dbraw/zinc/92/36/18/532923618.db2.gz AFYKSPMHXOMLKD-STQMWFEESA-N 1 0 378.571 2.270 20 0 GEADRO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000367384870 532924340 /nfs/dbraw/zinc/92/43/40/532924340.db2.gz IANVHVPKLWGXJP-BRWVUGGUSA-N 1 0 378.314 2.059 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293285475 532924759 /nfs/dbraw/zinc/92/47/59/532924759.db2.gz VQFJLUULNKWSGU-FZMZJTMJSA-N 1 0 388.249 2.465 20 0 GEADRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000367447353 532924794 /nfs/dbraw/zinc/92/47/94/532924794.db2.gz KHEUWIHWAVTKCV-KBPBESRZSA-N 1 0 385.917 2.210 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293350117 532925597 /nfs/dbraw/zinc/92/55/97/532925597.db2.gz JXKRIIYQLWORSE-ZENOOKHLSA-N 1 0 392.297 2.012 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000367662522 532926200 /nfs/dbraw/zinc/92/62/00/532926200.db2.gz WUXMCFQKYFWNHP-MRXNPFEDSA-N 1 0 385.961 2.297 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(F)c3Br)C2)CC1 ZINC000293425821 532926911 /nfs/dbraw/zinc/92/69/11/532926911.db2.gz OJAPRUHAJYBMFP-CYBMUJFWSA-N 1 0 384.293 2.440 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000367799679 532927218 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O=C(Cn1cc(Br)ccc1=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000370772724 532945218 /nfs/dbraw/zinc/94/52/18/532945218.db2.gz LEALONNJXJBLRR-HNNXBMFYSA-N 1 0 396.329 2.335 20 0 GEADRO COCC[NH2+]CC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000370775703 532945227 /nfs/dbraw/zinc/94/52/27/532945227.db2.gz XMOCNFUJIUJBRQ-CQSZACIVSA-N 1 0 388.249 2.191 20 0 GEADRO O=C(COc1cccc(Br)c1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370762082 532945240 /nfs/dbraw/zinc/94/52/40/532945240.db2.gz ZDIGJBLGHRTFLS-RHSMWYFYSA-N 1 0 397.313 2.445 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000370792636 532945359 /nfs/dbraw/zinc/94/53/59/532945359.db2.gz BDCQTRRQUATFNL-KBPBESRZSA-N 1 0 381.318 2.176 20 0 GEADRO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cn1 ZINC000370543648 532944072 /nfs/dbraw/zinc/94/40/72/532944072.db2.gz JVKYNUQDJDWPTF-RCBQFDQVSA-N 1 0 397.317 2.146 20 0 GEADRO CS(=O)(=O)c1ccc(OCCN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000370556645 532944158 /nfs/dbraw/zinc/94/41/58/532944158.db2.gz WCXVINCKGCMTMA-OAHLLOKOSA-N 1 0 381.416 2.248 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371362863 532947682 /nfs/dbraw/zinc/94/76/82/532947682.db2.gz YJQYNQKCYWZFAQ-CZUORRHYSA-N 1 0 396.329 2.253 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)C[C@H]1[NH+](C)C ZINC000371355613 532947686 /nfs/dbraw/zinc/94/76/86/532947686.db2.gz QQZSPEWVXBNIPD-IIAWOOMASA-N 1 0 381.567 2.104 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371424741 532948086 /nfs/dbraw/zinc/94/80/86/532948086.db2.gz PJUFMDPUNYQWJN-INIZCTEOSA-N 1 0 385.961 2.297 20 0 GEADRO CS[C@@H]1CN(C(=O)C2CCN(Cc3csc(C)n3)CC2)C[C@H]1[NH+](C)C ZINC000371446691 532948167 /nfs/dbraw/zinc/94/81/67/532948167.db2.gz GGMFSRSIFDTCDI-IAGOWNOFSA-N 1 0 382.599 2.168 20 0 GEADRO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000371531281 532948530 /nfs/dbraw/zinc/94/85/30/532948530.db2.gz ZHRWRWRHPXIIRD-SJORKVTESA-N 1 0 388.599 2.021 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCc2ccc(Br)cc21 ZINC000371608905 532949003 /nfs/dbraw/zinc/94/90/03/532949003.db2.gz VESRLAWEICVTEG-CABCVRRESA-N 1 0 392.297 2.081 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000371083220 532946977 /nfs/dbraw/zinc/94/69/77/532946977.db2.gz AMYBBPAGVLTGJQ-SJCJKPOMSA-N 1 0 396.285 2.268 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000371096496 532946985 /nfs/dbraw/zinc/94/69/85/532946985.db2.gz AAUKSRKDPJVMHZ-HNNXBMFYSA-N 1 0 380.539 2.281 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc(Br)ccc2F)C1=O ZINC000371093382 532947021 /nfs/dbraw/zinc/94/70/21/532947021.db2.gz KJZNQJDXBCRPIU-BZNIZROVSA-N 1 0 384.249 2.398 20 0 GEADRO COc1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)sc1Br ZINC000371162308 532947096 /nfs/dbraw/zinc/94/70/96/532947096.db2.gz AMXKURNWAZDVBR-WDEREUQCSA-N 1 0 389.315 2.190 20 0 GEADRO C[N@H+](CCc1ccc(Cl)cc1)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736804778 598833314 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RESZNXKJXAFUNV-IBGZPJMESA-N 1 0 397.454 2.453 20 0 GEADRO COC(=O)[C@H](NCCCCC[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736894714 598884393 /nfs/dbraw/zinc/88/43/93/598884393.db2.gz HHVWMKRECBKMPF-GOSISDBHSA-N 1 0 386.500 2.327 20 0 GEADRO Clc1cccc(C2(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CC2)c1 ZINC000737576096 598887379 /nfs/dbraw/zinc/88/73/79/598887379.db2.gz UQNZWAARJINRFA-GFCCVEGCSA-N 1 0 384.875 2.080 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000738383545 598887916 /nfs/dbraw/zinc/88/79/16/598887916.db2.gz VRNFAUZVSFYIHI-HNNXBMFYSA-N 1 0 387.827 2.115 20 0 GEADRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736381602 598897071 /nfs/dbraw/zinc/89/70/71/598897071.db2.gz JDZOQCPVGYYTFG-CABCVRRESA-N 1 0 378.864 2.084 20 0 GEADRO C[NH+](C)CCCNC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000736767827 598931182 /nfs/dbraw/zinc/93/11/82/598931182.db2.gz SKKOZLBDCYOEFP-UHFFFAOYSA-N 1 0 380.452 2.127 20 0 GEADRO C[C@@H](CNC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1)[NH+](C)C ZINC000736026574 598932195 /nfs/dbraw/zinc/93/21/95/598932195.db2.gz UXQKBTKJIXRKTA-AWEZNQCLSA-N 1 0 380.452 2.126 20 0 GEADRO c1ccc(CC[NH+]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)cc1 ZINC000738426764 598935444 /nfs/dbraw/zinc/93/54/44/598935444.db2.gz GXDFVVAMKKBNQA-UHFFFAOYSA-N 1 0 386.463 2.175 20 0 GEADRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737143151 598959678 /nfs/dbraw/zinc/95/96/78/598959678.db2.gz SQBFSFJKYLGSOC-DYVFJYSZSA-N 1 0 378.436 2.331 20 0 GEADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000737074672 598961441 /nfs/dbraw/zinc/96/14/41/598961441.db2.gz XYBSEDDCFHHDSI-FZKQIMNGSA-N 1 0 378.436 2.331 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000737032527 598984491 /nfs/dbraw/zinc/98/44/91/598984491.db2.gz LSYSHZDGCJPJIT-AWEZNQCLSA-N 1 0 375.473 2.270 20 0 GEADRO COCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1cccs1 ZINC000736995658 598987415 /nfs/dbraw/zinc/98/74/15/598987415.db2.gz WCDOMGAQLGQIIF-UHFFFAOYSA-N 1 0 389.481 2.464 20 0 GEADRO CCC[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736469154 598989386 /nfs/dbraw/zinc/98/93/86/598989386.db2.gz GNDSPXWURDIXBS-QXAKKESOSA-N 1 0 398.511 2.008 20 0 GEADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738183284 598999974 /nfs/dbraw/zinc/99/99/74/598999974.db2.gz KRLXVTXOIREKDB-UHFFFAOYSA-N 1 0 381.465 2.063 20 0 GEADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738104268 599020475 /nfs/dbraw/zinc/02/04/75/599020475.db2.gz VRNBLNBVUAHHPB-UHFFFAOYSA-N 1 0 377.452 2.178 20 0 GEADRO C[C@@H](CNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1)[NH+](C)C ZINC000736025964 599022116 /nfs/dbraw/zinc/02/21/16/599022116.db2.gz KJTULVFYEDENTA-AWEZNQCLSA-N 1 0 380.452 2.126 20 0 GEADRO Cc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c(C[NH+](C)C)c1 ZINC000737362486 599030285 /nfs/dbraw/zinc/03/02/85/599030285.db2.gz QTKUOBCLQDIOAG-UHFFFAOYSA-N 1 0 386.481 2.346 20 0 GEADRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736129341 599050116 /nfs/dbraw/zinc/05/01/16/599050116.db2.gz DFSZKGFQOUOEKS-FFFUXKDYSA-N 1 0 390.875 2.250 20 0 GEADRO FC(F)(F)c1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1-c1nn[nH]n1 ZINC000822724078 599051731 /nfs/dbraw/zinc/05/17/31/599051731.db2.gz YJHZYCAGPFNJGR-GFCCVEGCSA-N 1 0 382.390 2.044 20 0 GEADRO CC[NH+]1CCN(c2ccc(C(=O)OCc3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736569136 599055972 /nfs/dbraw/zinc/05/59/72/599055972.db2.gz OATJUDIWZWPPQG-UHFFFAOYSA-N 1 0 392.463 2.366 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(Cl)c(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC000736617662 599063885 /nfs/dbraw/zinc/06/38/85/599063885.db2.gz ZVMKFVJOWPNKDG-TZMCWYRMSA-N 1 0 379.896 2.464 20 0 GEADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000736804759 599074817 /nfs/dbraw/zinc/07/48/17/599074817.db2.gz UJAMBOUHFGQULH-GOSISDBHSA-N 1 0 392.463 2.373 20 0 GEADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000737746057 599076800 /nfs/dbraw/zinc/07/68/00/599076800.db2.gz ZEBHVXUHSDWMSY-VQIMIIECSA-N 1 0 376.464 2.348 20 0 GEADRO CC1CCC([NH+]2CCN(CC(=O)Nc3sccc3-c3nn[nH]n3)CC2)CC1 ZINC000736239563 599082495 /nfs/dbraw/zinc/08/24/95/599082495.db2.gz GOIGLUTXUVTBLG-UHFFFAOYSA-N 1 0 389.529 2.063 20 0 GEADRO CC[NH+](CC)Cc1cccc(CN[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736530294 599090965 /nfs/dbraw/zinc/09/09/65/599090965.db2.gz HMGWKZAXAPUHOW-IBGZPJMESA-N 1 0 393.495 2.025 20 0 GEADRO NC(=O)[C@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735955 599098725 /nfs/dbraw/zinc/09/87/25/599098725.db2.gz FMKXBOFNWSOILI-GOSISDBHSA-N 1 0 375.436 2.097 20 0 GEADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000736771417 599105802 /nfs/dbraw/zinc/10/58/02/599105802.db2.gz KQUMOUJLTDYZHW-UHFFFAOYSA-N 1 0 397.458 2.409 20 0 GEADRO C[NH+](C)Cc1cc(CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000736770667 599105897 /nfs/dbraw/zinc/10/58/97/599105897.db2.gz DGNQHAAQWVRXRN-UHFFFAOYSA-N 1 0 383.431 2.067 20 0 GEADRO Cc1ccccc1[C@H](O)C[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737421288 599131449 /nfs/dbraw/zinc/13/14/49/599131449.db2.gz LYPKMRZLZJRFBS-OAQYLSRUSA-N 1 0 392.507 2.416 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000822535550 599160816 /nfs/dbraw/zinc/16/08/16/599160816.db2.gz VYSGMXMCVLUJLB-GOOCMWNKSA-N 1 0 395.467 2.304 20 0 GEADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000737065496 599185398 /nfs/dbraw/zinc/18/53/98/599185398.db2.gz HBVLXSURHBYXBT-UHFFFAOYSA-N 1 0 394.479 2.388 20 0 GEADRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)n1cccc1 ZINC000735975145 599199204 /nfs/dbraw/zinc/19/92/04/599199204.db2.gz NRFIIRLZDHDADL-INIZCTEOSA-N 1 0 381.484 2.210 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160246 599211773 /nfs/dbraw/zinc/21/17/73/599211773.db2.gz HZHVCRWGDLRFRE-INIZCTEOSA-N 1 0 386.500 2.216 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000821161553 599214242 /nfs/dbraw/zinc/21/42/42/599214242.db2.gz ZQWOEHLAACGOGO-MAUKXSAKSA-N 1 0 386.500 2.070 20 0 GEADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821596471 599215553 /nfs/dbraw/zinc/21/55/53/599215553.db2.gz LDWYUGVJEDGZFP-KRWDZBQOSA-N 1 0 376.464 2.461 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736565645 599243227 /nfs/dbraw/zinc/24/32/27/599243227.db2.gz NEIDNWFWTZRNEH-LJQANCHMSA-N 1 0 397.527 2.074 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736248363 599251177 /nfs/dbraw/zinc/25/11/77/599251177.db2.gz IMAOOPQRQXCDEY-JZKQVHKSSA-N 1 0 397.483 2.102 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000737526124 599252021 /nfs/dbraw/zinc/25/20/21/599252021.db2.gz WLMLLNUIPZZFIX-UHFFFAOYSA-N 1 0 394.483 2.284 20 0 GEADRO Cc1c(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822096392 607292823 /nfs/dbraw/zinc/29/28/23/607292823.db2.gz MHBQGJIQQCKINX-INIZCTEOSA-N 1 0 379.468 2.470 20 0 GEADRO C[C@H]1C[NH+](C(C)(C)CNc2c(-c3nn[nH]n3)cnc3ccccc32)C[C@H](C)O1 ZINC000736290835 599261238 /nfs/dbraw/zinc/26/12/38/599261238.db2.gz KAMIMGLDFYRQEP-KBPBESRZSA-N 1 0 381.484 2.137 20 0 GEADRO NC(=O)C1CC[NH+](Cc2cccc(NCc3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000822864448 607310311 /nfs/dbraw/zinc/31/03/11/607310311.db2.gz ADDZYIGQXWZOGC-UHFFFAOYSA-N 1 0 397.508 2.238 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](CNc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000823747696 607310347 /nfs/dbraw/zinc/31/03/47/607310347.db2.gz HYFMDEBRVRLGHH-INIZCTEOSA-N 1 0 393.499 2.203 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000821180728 599276900 /nfs/dbraw/zinc/27/69/00/599276900.db2.gz GHCBFJRHJPWKIS-GFCCVEGCSA-N 1 0 395.414 2.416 20 0 GEADRO Cc1cc(NC(=O)CC[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)no1 ZINC000737270450 598249060 /nfs/dbraw/zinc/24/90/60/598249060.db2.gz HHNDBPJRJNVURI-UHFFFAOYSA-N 1 0 397.439 2.035 20 0 GEADRO NC(=O)c1cccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737761188 598249737 /nfs/dbraw/zinc/24/97/37/598249737.db2.gz QXMZYLSOPRWTCV-UHFFFAOYSA-N 1 0 378.436 2.009 20 0 GEADRO NC(=O)c1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000737761088 598249787 /nfs/dbraw/zinc/24/97/87/598249787.db2.gz UJFBUCJSNIKIHC-UHFFFAOYSA-N 1 0 378.436 2.009 20 0 GEADRO Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737420737 598255239 /nfs/dbraw/zinc/25/52/39/598255239.db2.gz HBOSUMOOINLIIP-QZTJIDSGSA-N 1 0 379.464 2.404 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735636001 598257505 /nfs/dbraw/zinc/25/75/05/598257505.db2.gz MBYWTJGSLJNGEX-AWEZNQCLSA-N 1 0 388.472 2.092 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000736134183 598273081 /nfs/dbraw/zinc/27/30/81/598273081.db2.gz JWGJXLOLDGMHQV-GFCCVEGCSA-N 1 0 380.408 2.275 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)NCc2cccc(-c3nn[nH]n3)c2)[NH+]2CCCC2)o1 ZINC000737320747 598285620 /nfs/dbraw/zinc/28/56/20/598285620.db2.gz OWJSDZZNLVBAMG-QGZVFWFLSA-N 1 0 395.467 2.404 20 0 GEADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735685458 598299921 /nfs/dbraw/zinc/29/99/21/598299921.db2.gz WAQWEBQADXZIMP-INIZCTEOSA-N 1 0 386.500 2.120 20 0 GEADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736818509 598366821 /nfs/dbraw/zinc/36/68/21/598366821.db2.gz RSZRUPJXDILNHJ-QGZVFWFLSA-N 1 0 394.483 2.224 20 0 GEADRO Cc1cnn([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)c1 ZINC000737443952 598370354 /nfs/dbraw/zinc/37/03/54/598370354.db2.gz KDRIUXAJGDVNDR-OAHLLOKOSA-N 1 0 380.456 2.037 20 0 GEADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000735558328 598373485 /nfs/dbraw/zinc/37/34/85/598373485.db2.gz AAWOSPLONOEPDT-KDOFPFPSSA-N 1 0 377.452 2.380 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000735558326 598373980 /nfs/dbraw/zinc/37/39/80/598373980.db2.gz AAWOSPLONOEPDT-KBXCAEBGSA-N 1 0 377.452 2.380 20 0 GEADRO COc1ccc([C@H](CNc2cnc(-c3nn[nH]n3)cn2)[NH+]2CCCCC2)cc1 ZINC000737074659 598383961 /nfs/dbraw/zinc/38/39/61/598383961.db2.gz JNRIISDZUBNREB-KRWDZBQOSA-N 1 0 380.456 2.304 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)C(=S)Nc1ccccc1-c1nn[nH]n1 ZINC000736768173 598417550 /nfs/dbraw/zinc/41/75/50/598417550.db2.gz AESUGMQCGNSQNJ-UHFFFAOYSA-N 1 0 382.497 2.022 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000737189733 598420783 /nfs/dbraw/zinc/42/07/83/598420783.db2.gz PTXMLOVGZYZOQD-CYBMUJFWSA-N 1 0 399.524 2.171 20 0 GEADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)o1 ZINC000737235358 598463044 /nfs/dbraw/zinc/46/30/44/598463044.db2.gz TXEPKIKQXSYUMK-UHFFFAOYSA-N 1 0 380.452 2.471 20 0 GEADRO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000737932104 598468123 /nfs/dbraw/zinc/46/81/23/598468123.db2.gz JEJDFEAHBGLUPU-QGZVFWFLSA-N 1 0 386.525 2.187 20 0 GEADRO COC1CC[NH+](C2(CNc3nnc(C)c(C)c3-c3nn[nH]n3)CCCC2)CC1 ZINC000736962094 598468354 /nfs/dbraw/zinc/46/83/54/598468354.db2.gz OBXIVMWDTNFXPW-UHFFFAOYSA-N 1 0 386.504 2.109 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738037501 598478792 /nfs/dbraw/zinc/47/87/92/598478792.db2.gz WHXZXNDHYWTCII-SJLPKXTDSA-N 1 0 381.484 2.168 20 0 GEADRO C[C@@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[NH+]1CCCCC1 ZINC000736016930 598479341 /nfs/dbraw/zinc/47/93/41/598479341.db2.gz FVETZILHUFRPJB-HNNXBMFYSA-N 1 0 383.500 2.415 20 0 GEADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N1CCN(c2ccccc2)CC1 ZINC000736026430 598492901 /nfs/dbraw/zinc/49/29/01/598492901.db2.gz UMFIOJFLPDXXEN-KRWDZBQOSA-N 1 0 377.496 2.167 20 0 GEADRO CCN(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736510820 598509005 /nfs/dbraw/zinc/50/90/05/598509005.db2.gz LNRGNWYUSLOJQX-UHFFFAOYSA-N 1 0 393.495 2.389 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C12CC3CC(CC(C3)C1)C2 ZINC000736135830 598516927 /nfs/dbraw/zinc/51/69/27/598516927.db2.gz QDYASSUYYKOKTP-JLZSUIFSSA-N 1 0 382.516 2.299 20 0 GEADRO Clc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(Cl)c1 ZINC000737577216 598517351 /nfs/dbraw/zinc/51/73/51/598517351.db2.gz VBYQUOPITCOMKW-VIFPVBQESA-N 1 0 379.255 2.202 20 0 GEADRO COc1ccc([C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(C)C)cc1 ZINC000737076939 598518852 /nfs/dbraw/zinc/51/88/52/598518852.db2.gz ULOMSNIIBDHPRT-DYVFJYSZSA-N 1 0 382.472 2.100 20 0 GEADRO Fc1cccc2c1SCC[C@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737666468 598520500 /nfs/dbraw/zinc/52/05/00/598520500.db2.gz XWARYHQZBOGIRX-QMTHXVAHSA-N 1 0 386.460 2.071 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1csc(-c3ccccc3)n1)C2 ZINC000738424320 598526868 /nfs/dbraw/zinc/52/68/68/598526868.db2.gz YWODTQDSFDHYPN-LBPRGKRZSA-N 1 0 393.480 2.018 20 0 GEADRO Clc1cccc(Cl)c1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737573231 598527934 /nfs/dbraw/zinc/52/79/34/598527934.db2.gz CRPNTTXPSYPFNM-SECBINFHSA-N 1 0 379.255 2.202 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)C2 ZINC000738428220 598530111 /nfs/dbraw/zinc/53/01/11/598530111.db2.gz MORMGBAZCLLEIW-LNLFQRSKSA-N 1 0 392.511 2.496 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000735875504 598559953 /nfs/dbraw/zinc/55/99/53/598559953.db2.gz NNPFYDDKFWCCFX-UHFFFAOYSA-N 1 0 395.414 2.462 20 0 GEADRO c1cnn(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)c1 ZINC000738410395 598562688 /nfs/dbraw/zinc/56/26/88/598562688.db2.gz MDAPUVNCRVTUEL-UHFFFAOYSA-N 1 0 375.436 2.432 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000736179298 598569367 /nfs/dbraw/zinc/56/93/67/598569367.db2.gz CJIFCTKIOVGMLF-GDBMZVCRSA-N 1 0 392.463 2.154 20 0 GEADRO C[NH+](C)CCN1CCC(Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000736769346 598572770 /nfs/dbraw/zinc/57/27/70/598572770.db2.gz PHXOJKYHGFDPQF-UHFFFAOYSA-N 1 0 383.422 2.323 20 0 GEADRO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735875579 598576990 /nfs/dbraw/zinc/57/69/90/598576990.db2.gz PCXKUNRSXPWXDB-LJQANCHMSA-N 1 0 397.527 2.167 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735619653 598596053 /nfs/dbraw/zinc/59/60/53/598596053.db2.gz VRXTWZDKKQNKPM-GOSISDBHSA-N 1 0 397.527 2.168 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736481503 598596354 /nfs/dbraw/zinc/59/63/54/598596354.db2.gz VBHOEZYCYSELDT-IBGZPJMESA-N 1 0 397.527 2.074 20 0 GEADRO C[NH+](C)C1CCN(c2ccc(Nc3nccnc3-c3nn[nH]n3)cc2F)CC1 ZINC000736765069 598612964 /nfs/dbraw/zinc/61/29/64/598612964.db2.gz TWFHHXHYWJXBIB-UHFFFAOYSA-N 1 0 383.435 2.070 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000737545953 598613864 /nfs/dbraw/zinc/61/38/64/598613864.db2.gz AHIWXMZBOKOPFI-HUUCEWRRSA-N 1 0 395.467 2.258 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000737545947 598614317 /nfs/dbraw/zinc/61/43/17/598614317.db2.gz AHIWXMZBOKOPFI-CABCVRRESA-N 1 0 395.467 2.258 20 0 GEADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000110269835 598616656 /nfs/dbraw/zinc/61/66/56/598616656.db2.gz IQDBBHSXIISSPO-UHFFFAOYSA-N 1 0 391.479 2.408 20 0 GEADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736761552 598626139 /nfs/dbraw/zinc/62/61/39/598626139.db2.gz GPHPEDRNXGNQAE-HNNXBMFYSA-N 1 0 383.431 2.300 20 0 GEADRO COc1ccc(CC[NH+]2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000737087745 598634654 /nfs/dbraw/zinc/63/46/54/598634654.db2.gz IPYJEYSGHZIGJB-UHFFFAOYSA-N 1 0 382.443 2.379 20 0 GEADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736760716 598666177 /nfs/dbraw/zinc/66/61/77/598666177.db2.gz BTLILMPYVIQEQH-KRWDZBQOSA-N 1 0 396.520 2.248 20 0 GEADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000737919523 598669193 /nfs/dbraw/zinc/66/91/93/598669193.db2.gz MWRGRSWHVWWBEU-QGZVFWFLSA-N 1 0 398.511 2.360 20 0 GEADRO O=C(COc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000737921847 598669302 /nfs/dbraw/zinc/66/93/02/598669302.db2.gz ZUTCJXMOMGUGIC-QGZVFWFLSA-N 1 0 398.511 2.360 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC[C@@H]1CCCCO1 ZINC000736767556 598686822 /nfs/dbraw/zinc/68/68/22/598686822.db2.gz QWKCXKQDZXECNO-SFHVURJKSA-N 1 0 386.500 2.106 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)[NH+]1CCCC1 ZINC000736026920 598687836 /nfs/dbraw/zinc/68/78/36/598687836.db2.gz ZHCYOGOHMWNFFR-AWEZNQCLSA-N 1 0 393.451 2.268 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736798624 598688654 /nfs/dbraw/zinc/68/86/54/598688654.db2.gz CDPQUUFMUOTTSB-UHFFFAOYSA-N 1 0 393.451 2.222 20 0 GEADRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H](C)O1 ZINC000736408919 598706762 /nfs/dbraw/zinc/70/67/62/598706762.db2.gz LBOQAFSRBAEZLH-NEPJUHHUSA-N 1 0 390.513 2.245 20 0 GEADRO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000738301540 598707112 /nfs/dbraw/zinc/70/71/12/598707112.db2.gz CALRMWKVTFKKQV-MRXNPFEDSA-N 1 0 379.468 2.096 20 0 GEADRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000737479100 598714879 /nfs/dbraw/zinc/71/48/79/598714879.db2.gz ZCWRHZYPCOZRGU-UHFFFAOYSA-N 1 0 381.484 2.473 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000735873883 598725633 /nfs/dbraw/zinc/72/56/33/598725633.db2.gz BEEIHEKCBTWDEK-LLVKDONJSA-N 1 0 395.414 2.320 20 0 GEADRO CCn1cc(C2CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000736721770 598762158 /nfs/dbraw/zinc/76/21/58/598762158.db2.gz KKYMNWJQLPFMGZ-UHFFFAOYSA-N 1 0 394.483 2.291 20 0 GEADRO C[NH+]1CCC(N(C(=O)COc2ccc(-c3nn[nH]n3)cc2)c2ccccc2)CC1 ZINC000736851166 598762859 /nfs/dbraw/zinc/76/28/59/598762859.db2.gz FXEVEUVLIOZJEM-UHFFFAOYSA-N 1 0 392.463 2.373 20 0 GEADRO O[C@H](Cc1ccccc1)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738389737 598765698 /nfs/dbraw/zinc/76/56/98/598765698.db2.gz ZRZNEKMIVGUTNJ-GOSISDBHSA-N 1 0 379.464 2.314 20 0 GEADRO Cc1ncc(C=CC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)s1 ZINC000737490430 598766302 /nfs/dbraw/zinc/76/63/02/598766302.db2.gz VIGDMDSVKGCGOQ-BQYQJAHWSA-N 1 0 397.508 2.235 20 0 GEADRO COCC1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736970552 598777232 /nfs/dbraw/zinc/77/72/32/598777232.db2.gz CGNWPSXILYOWTF-UHFFFAOYSA-N 1 0 378.864 2.207 20 0 GEADRO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000738302872 598777310 /nfs/dbraw/zinc/77/73/10/598777310.db2.gz OFILDYPBLCWTFG-MRXNPFEDSA-N 1 0 379.468 2.096 20 0 GEADRO CC1(C)C[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736212386 598779496 /nfs/dbraw/zinc/77/94/96/598779496.db2.gz XFJHUAISPONRHH-KRWDZBQOSA-N 1 0 383.500 2.130 20 0 GEADRO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735517490 598780153 /nfs/dbraw/zinc/78/01/53/598780153.db2.gz BKUDPRCCZDGQET-OAHLLOKOSA-N 1 0 384.484 2.111 20 0 GEADRO Cc1cc(N(C)C[C@H]2CC[N@H+](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270741 598797623 /nfs/dbraw/zinc/79/76/23/598797623.db2.gz PHPVIFSVUBQLHV-AWEZNQCLSA-N 1 0 376.468 2.364 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821266506 607367514 /nfs/dbraw/zinc/36/75/14/607367514.db2.gz FEUJFWVQAZGWFW-AWEZNQCLSA-N 1 0 389.529 2.425 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[nH]n1 ZINC000736321274 598820224 /nfs/dbraw/zinc/82/02/24/598820224.db2.gz AKATYVPISQLSNH-NSHDSACASA-N 1 0 391.545 2.126 20 0 GEADRO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736978785 598820868 /nfs/dbraw/zinc/82/08/68/598820868.db2.gz RPRWRPXLBJAXNL-RYUDHWBXSA-N 1 0 390.513 2.102 20 0 GEADRO C[C@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1[NH+](C)C ZINC000736293512 599296425 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COc1ccc(C[NH2+]C[C@H](O)c2cccc(OC(C)C)c2)cc1-c1nn[nH]n1 ZINC000821808538 599442543 /nfs/dbraw/zinc/44/25/43/599442543.db2.gz HTBLTSDPDVVWGQ-SFHVURJKSA-N 1 0 383.452 2.486 20 0 GEADRO Cn1c2ccccc2nc1CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737594203 599445998 /nfs/dbraw/zinc/44/59/98/599445998.db2.gz WSUGNZSCCLQOQR-UHFFFAOYSA-N 1 0 388.479 2.118 20 0 GEADRO c1ccc(C[NH+]2CCC(Nc3c(-c4nn[nH]n4)cnc4ccccc43)CC2)nc1 ZINC000823779433 599484436 /nfs/dbraw/zinc/48/44/36/599484436.db2.gz DCZSACVKTCSLAI-UHFFFAOYSA-N 1 0 386.463 2.308 20 0 GEADRO CCC(CC)C(=O)N1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736338607 599484527 /nfs/dbraw/zinc/48/45/27/599484527.db2.gz YTYPYABKTZEDSE-UHFFFAOYSA-N 1 0 396.499 2.031 20 0 GEADRO CN(C)[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1c(F)cccc1F ZINC000736758395 599490806 /nfs/dbraw/zinc/49/08/06/599490806.db2.gz GVXHTNJHYGZVIT-MRXNPFEDSA-N 1 0 398.421 2.185 20 0 GEADRO O=C(N[C@@H]1CC=CCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738024015 599507245 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C[NH+](C)[C@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736756760 599567066 /nfs/dbraw/zinc/56/70/66/599567066.db2.gz LGVYHPCWDNXFLG-SFHVURJKSA-N 1 0 377.452 2.386 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736859744 599569811 /nfs/dbraw/zinc/56/98/11/599569811.db2.gz IQVZMWJZXAWYFG-GOSISDBHSA-N 1 0 377.452 2.434 20 0 GEADRO CC[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736403805 599581281 /nfs/dbraw/zinc/58/12/81/599581281.db2.gz XGXWGSGEJLWBON-VBKZILBWSA-N 1 0 397.483 2.103 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000821189775 599586897 /nfs/dbraw/zinc/58/68/97/599586897.db2.gz STHBSVZKUQRSGA-AWEZNQCLSA-N 1 0 382.472 2.080 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000735562085 599587787 /nfs/dbraw/zinc/58/77/87/599587787.db2.gz NLDCCXQFJYTUEK-CVEARBPZSA-N 1 0 383.500 2.144 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000819939387 599588132 /nfs/dbraw/zinc/58/81/32/599588132.db2.gz ALHUVNPVGQIOOW-HNNXBMFYSA-N 1 0 388.472 2.235 20 0 GEADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000819939460 599588158 /nfs/dbraw/zinc/58/81/58/599588158.db2.gz COPUVJHYRANCLB-OAHLLOKOSA-N 1 0 388.472 2.235 20 0 GEADRO CN1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCC1=O ZINC000736847582 599599922 /nfs/dbraw/zinc/59/99/22/599599922.db2.gz VILZRDOKRQKFPK-QGZVFWFLSA-N 1 0 392.463 2.156 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@H]1C ZINC000821253116 599639171 /nfs/dbraw/zinc/63/91/71/599639171.db2.gz CTXBLRSLFDBHPF-CJNGLKHVSA-N 1 0 382.472 2.221 20 0 GEADRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000822997594 599640653 /nfs/dbraw/zinc/64/06/53/599640653.db2.gz SVXHYDWUWJCOGO-PBHICJAKSA-N 1 0 392.467 2.255 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H](CCO)c1ccccc1 ZINC000821598096 599642914 /nfs/dbraw/zinc/64/29/14/599642914.db2.gz QOPMYHWKPZSBGM-SFHVURJKSA-N 1 0 380.452 2.251 20 0 GEADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821603849 599683780 /nfs/dbraw/zinc/68/37/80/599683780.db2.gz RCBAZWYYMFXFHS-OAHLLOKOSA-N 1 0 388.472 2.187 20 0 GEADRO c1ccc2c(c1)nc(N1CCC(OCC[NH+]3CCCC3)CC1)cc2-c1nn[nH]n1 ZINC000823792506 599689400 /nfs/dbraw/zinc/68/94/00/599689400.db2.gz VUXNXUSNOGTPPK-UHFFFAOYSA-N 1 0 393.495 2.496 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1-c1nn[nH]n1 ZINC000820166394 607427872 /nfs/dbraw/zinc/42/78/72/607427872.db2.gz YAOINLFSBYMLAQ-HNNXBMFYSA-N 1 0 385.472 2.260 20 0 GEADRO COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](C)C[NH+]1CCC3(C[C@@H]3C(=O)[O-])CC1)CC2 ZINC000737580217 600209728 /nfs/dbraw/zinc/20/97/28/600209728.db2.gz MGSYNIUADGSSQG-BBWFWOEESA-N 1 0 378.513 2.084 20 0 GEADRO Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc(C)c1OCC(=O)[O-] ZINC000738388573 600242263 /nfs/dbraw/zinc/24/22/63/600242263.db2.gz JDFINSXGLKHALF-QGZVFWFLSA-N 1 0 376.497 2.357 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1-c1nn[nH]n1 ZINC000820165220 607432539 /nfs/dbraw/zinc/43/25/39/607432539.db2.gz OJTXHHBBJIFSBM-CQSZACIVSA-N 1 0 387.488 2.459 20 0 GEADRO CC1(C)CC(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC(C)(C)[NH2+]1 ZINC000824791016 607446117 /nfs/dbraw/zinc/44/61/17/607446117.db2.gz VRQVXMBGIGMIJP-UHFFFAOYSA-N 1 0 383.500 2.464 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824300913 607455067 /nfs/dbraw/zinc/45/50/67/607455067.db2.gz MUMVTNLNHQFPED-OAHLLOKOSA-N 1 0 383.500 2.275 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](C(=O)[O-])c3ccccc3F)c2)C1 ZINC000833078900 600748101 /nfs/dbraw/zinc/74/81/01/600748101.db2.gz BNMHTSRBBIVYFI-YLJYHZDGSA-N 1 0 399.466 2.439 20 0 GEADRO CC[C@@H](O)C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000825153843 607472953 /nfs/dbraw/zinc/47/29/53/607472953.db2.gz KPBLNKGRJIGRKW-QGZVFWFLSA-N 1 0 394.479 2.468 20 0 GEADRO Cc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)N2CCOCC2)cc1 ZINC000822230248 607475818 /nfs/dbraw/zinc/47/58/18/607475818.db2.gz AGTYNFQHFURURZ-FQEVSTJZSA-N 1 0 396.470 2.477 20 0 GEADRO C[NH+]1CCN(Cc2cccc(NCc3ccc(-c4nn[nH]n4)cc3F)c2)CC1 ZINC000821627308 607476900 /nfs/dbraw/zinc/47/69/00/607476900.db2.gz WPCBJTMBUDDFHO-UHFFFAOYSA-N 1 0 381.459 2.365 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826176034 607477619 /nfs/dbraw/zinc/47/76/19/607477619.db2.gz YIIJNSJTYUVCAS-AEFFLSMTSA-N 1 0 398.511 2.203 20 0 GEADRO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1-c1nn[nH]n1 ZINC000826193406 607486352 /nfs/dbraw/zinc/48/63/52/607486352.db2.gz CBBAWKCPJWVQMO-OAHLLOKOSA-N 1 0 398.511 2.346 20 0 GEADRO COc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1-c1nn[nH]n1 ZINC000826193529 607491113 /nfs/dbraw/zinc/49/11/13/607491113.db2.gz GPYFHHBNODLUOH-AWEZNQCLSA-N 1 0 386.500 2.248 20 0 GEADRO COc1ccc(CN2CC[NH+](CCc3cccs3)CC2)cc1-c1nn[nH]n1 ZINC000826195561 607489171 /nfs/dbraw/zinc/48/91/71/607489171.db2.gz XZOMXKKKTAJPSZ-UHFFFAOYSA-N 1 0 384.509 2.297 20 0 GEADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823257213 607499649 /nfs/dbraw/zinc/49/96/49/607499649.db2.gz DVMCNWFVPGGFIJ-SJLPKXTDSA-N 1 0 381.484 2.025 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000820092525 607506889 /nfs/dbraw/zinc/50/68/89/607506889.db2.gz NDODLNNBVJFCCR-ZDUSSCGKSA-N 1 0 375.452 2.495 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000830596359 601643183 /nfs/dbraw/zinc/64/31/83/601643183.db2.gz IZVHPNLPJFGEJO-UHFFFAOYSA-N 1 0 393.503 2.440 20 0 GEADRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000825234307 607522043 /nfs/dbraw/zinc/52/20/43/607522043.db2.gz YKFLYHDKUIHUTM-ZBFHGGJFSA-N 1 0 386.500 2.392 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000826961512 601776193 /nfs/dbraw/zinc/77/61/93/601776193.db2.gz 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c1ccc(-c2nn[nH]n2)c(OCC[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000823772670 606118194 /nfs/dbraw/zinc/11/81/94/606118194.db2.gz LPXDIEDMBWHIQJ-QGZVFWFLSA-N 1 0 387.484 2.296 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823303583 606133315 /nfs/dbraw/zinc/13/33/15/606133315.db2.gz NLXUEBXJIQXKEV-GFCCVEGCSA-N 1 0 375.864 2.470 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)C1 ZINC000821188763 606140097 /nfs/dbraw/zinc/14/00/97/606140097.db2.gz CKXPHHNEJLWHFH-OAHLLOKOSA-N 1 0 381.484 2.352 20 0 GEADRO c1cc(-c2nnc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737028 606160980 /nfs/dbraw/zinc/16/09/80/606160980.db2.gz AIHHODJLMSFWTG-IBGZPJMESA-N 1 0 381.440 2.309 20 0 GEADRO CC(C)n1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000820211772 606161021 /nfs/dbraw/zinc/16/10/21/606161021.db2.gz XDURYSQBODKVSV-UHFFFAOYSA-N 1 0 397.487 2.240 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)[C@H](C)C1 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CCOC(=O)COc1ccc(CC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821330908 606223542 /nfs/dbraw/zinc/22/35/42/606223542.db2.gz YCMZQVBRBBMCQJ-UHFFFAOYSA-N 1 0 387.465 2.202 20 0 GEADRO C[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)C[C@H]1[NH+]1CCOCC1 ZINC000820766842 606225493 /nfs/dbraw/zinc/22/54/93/606225493.db2.gz CZEQNSUHXHYTBU-SJKOYZFVSA-N 1 0 399.886 2.225 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1 ZINC000820705676 606256553 /nfs/dbraw/zinc/25/65/53/606256553.db2.gz WFWMRKHKJMBWBM-CQSZACIVSA-N 1 0 379.468 2.499 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)c2cc(-c3nn[nH]n3)cn2C)[NH+]2CCCC2)cc1 ZINC000822230584 606284816 /nfs/dbraw/zinc/28/48/16/606284816.db2.gz KNCXGVADLAPEHB-GOSISDBHSA-N 1 0 379.468 2.081 20 0 GEADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821858315 606302351 /nfs/dbraw/zinc/30/23/51/606302351.db2.gz FDPFGQSGEORALI-XHDPSFHLSA-N 1 0 384.465 2.393 20 0 GEADRO Cc1ccc(CCC[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 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ZINC000820658104 606904124 /nfs/dbraw/zinc/90/41/24/606904124.db2.gz PKMJXEUEZISOHV-HNAYVOBHSA-N 1 0 376.464 2.188 20 0 GEADRO C[C@H]1C[C@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820658105 606904254 /nfs/dbraw/zinc/90/42/54/606904254.db2.gz PKMJXEUEZISOHV-KXBFYZLASA-N 1 0 376.464 2.188 20 0 GEADRO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821653672 606907690 /nfs/dbraw/zinc/90/76/90/606907690.db2.gz HIYYGXLXRFURDB-QYZOEREBSA-N 1 0 399.495 2.344 20 0 GEADRO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821653670 606907990 /nfs/dbraw/zinc/90/79/90/606907990.db2.gz HIYYGXLXRFURDB-FHWLQOOXSA-N 1 0 399.495 2.344 20 0 GEADRO FC(F)(F)c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723296 606911742 /nfs/dbraw/zinc/91/17/42/606911742.db2.gz CVPQYXKUDJEWFX-UHFFFAOYSA-N 1 0 396.417 2.434 20 0 GEADRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820301429 606913550 /nfs/dbraw/zinc/91/35/50/606913550.db2.gz YGCVGTUNWWHNFX-CQSZACIVSA-N 1 0 380.452 2.464 20 0 GEADRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819927953 606913696 /nfs/dbraw/zinc/91/36/96/606913696.db2.gz CNFVMMRBDIMTNO-WMLDXEAASA-N 1 0 387.484 2.344 20 0 GEADRO COc1ccc(C2([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCOCC2)cc1 ZINC000821782877 606925354 /nfs/dbraw/zinc/92/53/54/606925354.db2.gz QRLOKRHVHFEDED-LJQANCHMSA-N 1 0 395.463 2.204 20 0 GEADRO O=C1CCCCN1CC1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823530247 606927336 /nfs/dbraw/zinc/92/73/36/606927336.db2.gz FXKCRMJDWGXMFT-UHFFFAOYSA-N 1 0 398.511 2.360 20 0 GEADRO CC[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000820994905 606932463 /nfs/dbraw/zinc/93/24/63/606932463.db2.gz LLWAUCBJJOVBSY-YPMHNXCESA-N 1 0 384.406 2.167 20 0 GEADRO FC(F)(F)c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723807 606937736 /nfs/dbraw/zinc/93/77/36/606937736.db2.gz PHPKFBNLSFEDQA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/98/90/64/607989064.db2.gz COMRTTLYZYKWTM-UHFFFAOYSA-N 1 0 381.278 2.154 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000824745383 608006799 /nfs/dbraw/zinc/00/67/99/608006799.db2.gz RHRZEPSJNQAYCX-YJLNNSPDSA-N 1 0 392.463 2.196 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCC(C)C)c1-c1nn[nH]n1 ZINC000826084052 608020113 /nfs/dbraw/zinc/02/01/13/608020113.db2.gz UNSVJXBYEWJMCH-UHFFFAOYSA-N 1 0 398.471 2.029 20 0 GEADRO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191957 608065453 /nfs/dbraw/zinc/06/54/53/608065453.db2.gz VPMTYEDYAWEHRB-IFXJQAMLSA-N 1 0 394.479 2.212 20 0 GEADRO Clc1ccccc1C1(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000826353665 608113940 /nfs/dbraw/zinc/11/39/40/608113940.db2.gz YZUAEZPSYQXWCO-GFCCVEGCSA-N 1 0 384.875 2.080 20 0 GEADRO C[C@@]1([NH2+]CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CCO[C@@H]1C1CC1 ZINC000824838492 608133086 /nfs/dbraw/zinc/13/30/86/608133086.db2.gz QVZJCCOBQMCXGM-NVXWUHKLSA-N 1 0 376.848 2.006 20 0 GEADRO CC[N@H+](CCCO)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC000825419408 608159708 /nfs/dbraw/zinc/15/97/08/608159708.db2.gz OUZANACLYKULDB-LBPRGKRZSA-N 1 0 392.529 2.086 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1-c1nn[nH]n1 ZINC000826231219 608201032 /nfs/dbraw/zinc/20/10/32/608201032.db2.gz CAFUFHJGOZPLHA-MNOVXSKESA-N 1 0 387.513 2.026 20 0 GEADRO CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1)CC1CC1 ZINC000825420016 608202758 /nfs/dbraw/zinc/20/27/58/608202758.db2.gz YACFVNLNPJHNRA-UHFFFAOYSA-N 1 0 383.500 2.236 20 0 GEADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1sccc1-c1nn[nH]n1 ZINC000826458032 608213515 /nfs/dbraw/zinc/21/35/15/608213515.db2.gz ZZPAPFLRUTYUTE-UHFFFAOYSA-N 1 0 384.465 2.137 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825444600 608247063 /nfs/dbraw/zinc/24/70/63/608247063.db2.gz OYACCSWODMUXED-JKSUJKDBSA-N 1 0 386.500 2.357 20 0 GEADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826209562 608283076 /nfs/dbraw/zinc/28/30/76/608283076.db2.gz HUYRWIKBFKERRA-AWEZNQCLSA-N 1 0 396.451 2.261 20 0 GEADRO COc1ccc(C[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826202098 608287072 /nfs/dbraw/zinc/28/70/72/608287072.db2.gz NZEMOTCBVPAZPE-AWEZNQCLSA-N 1 0 380.452 2.407 20 0 GEADRO CN1CC[N@H+](C)Cc2ccc(NC(=O)Nc3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000826038806 608300759 /nfs/dbraw/zinc/30/07/59/608300759.db2.gz XZVBWMZRMKRZIP-UHFFFAOYSA-N 1 0 378.440 2.392 20 0 GEADRO CCC[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825261338 608303792 /nfs/dbraw/zinc/30/37/92/608303792.db2.gz XDTIEZSSNTYFEV-LBPRGKRZSA-N 1 0 399.421 2.218 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826332519 608313591 /nfs/dbraw/zinc/31/35/91/608313591.db2.gz WRFHEZOZKYVDBB-YOEHRIQHSA-N 1 0 378.484 2.029 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C[C@H]1C ZINC000825444195 608314941 /nfs/dbraw/zinc/31/49/41/608314941.db2.gz JWUFINLWZRMJPB-OLZOCXBDSA-N 1 0 383.456 2.114 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000824046519 608325467 /nfs/dbraw/zinc/32/54/67/608325467.db2.gz SWXDZMWAXDKIBN-OWCLPIDISA-N 1 0 384.484 2.332 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000826169492 608367426 /nfs/dbraw/zinc/36/74/26/608367426.db2.gz URAZHZCMGVIYDO-HNNXBMFYSA-N 1 0 388.472 2.364 20 0 GEADRO C[NH+](C)[C@@H](CNc1c(-c2nn[nH]n2)cnc2ccc(OC(F)F)cc21)C1CC1 ZINC000825851568 608377167 /nfs/dbraw/zinc/37/71/67/608377167.db2.gz WEYJKFSDWXGZBN-HNNXBMFYSA-N 1 0 389.410 2.190 20 0 GEADRO CCC[C@@H]1CN(Cc2cn3ccccc3c2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825258819 608378097 /nfs/dbraw/zinc/37/80/97/608378097.db2.gz DWLFKPUDVCZUKB-QGZVFWFLSA-N 1 0 383.500 2.052 20 0 GEADRO O[C@H](C[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503104 608379972 /nfs/dbraw/zinc/37/99/72/608379972.db2.gz QOOSGEUVUHJVQG-QUCCMNQESA-N 1 0 399.882 2.233 20 0 GEADRO CS[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1[NH+](C)C ZINC000826227753 608382477 /nfs/dbraw/zinc/38/24/77/608382477.db2.gz XDEGNCRZOWGXND-QWHCGFSZSA-N 1 0 383.319 2.111 20 0 GEADRO CS[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)C[C@H]1[NH+](C)C ZINC000826226983 608382606 /nfs/dbraw/zinc/38/26/06/608382606.db2.gz JOKBVNBKWSZFBZ-CHWSQXEVSA-N 1 0 391.451 2.175 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826435370 608418704 /nfs/dbraw/zinc/41/87/04/608418704.db2.gz MVGMFYVABOFPIT-HNNXBMFYSA-N 1 0 393.495 2.150 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@@H+]1C ZINC000824892607 608419545 /nfs/dbraw/zinc/41/95/45/608419545.db2.gz KSAQRSMRJBZSFS-KSSFIOAISA-N 1 0 381.484 2.148 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824977342 608420749 /nfs/dbraw/zinc/42/07/49/608420749.db2.gz QOQCHYUTVCGLFU-KUHUBIRLSA-N 1 0 393.495 2.148 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(OC)cc1 ZINC000825141801 608427896 /nfs/dbraw/zinc/42/78/96/608427896.db2.gz PTPSTJQPURSXFE-GOSISDBHSA-N 1 0 380.452 2.232 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000826184052 608429355 /nfs/dbraw/zinc/42/93/55/608429355.db2.gz JFCJZRSIEKUMHN-LBPRGKRZSA-N 1 0 387.465 2.130 20 0 GEADRO CCOc1ccccc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825653832 608438321 /nfs/dbraw/zinc/43/83/21/608438321.db2.gz KQTRAEXQZXMABF-HOCLYGCPSA-N 1 0 383.452 2.356 20 0 GEADRO C[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564478 608459582 /nfs/dbraw/zinc/45/95/82/608459582.db2.gz UKWLHYQFVLXZLV-GUYCJALGSA-N 1 0 378.436 2.157 20 0 GEADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)CC1CCOCC1 ZINC000825914425 608459968 /nfs/dbraw/zinc/45/99/68/608459968.db2.gz DWXCMPQKNBWRRS-UHFFFAOYSA-N 1 0 390.513 2.104 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCCCN(C)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824565089 608460905 /nfs/dbraw/zinc/46/09/05/608460905.db2.gz YUXBBKIMGXCCPU-MRXNPFEDSA-N 1 0 393.495 2.160 20 0 GEADRO CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825605045 608465424 /nfs/dbraw/zinc/46/54/24/608465424.db2.gz OWGDMLXYQQSZRD-HNNXBMFYSA-N 1 0 394.479 2.370 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555806 608466589 /nfs/dbraw/zinc/46/65/89/608466589.db2.gz YFKSBTPLUMNNPI-SMDDNHRTSA-N 1 0 382.390 2.318 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000825141290 608470672 /nfs/dbraw/zinc/47/06/72/608470672.db2.gz NJEDOIZWXMJPTQ-MRXNPFEDSA-N 1 0 394.435 2.317 20 0 GEADRO CCOc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825649478 608471854 /nfs/dbraw/zinc/47/18/54/608471854.db2.gz QKLGXMQECVEMQU-PBHICJAKSA-N 1 0 383.452 2.356 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824563754 608483253 /nfs/dbraw/zinc/48/32/53/608483253.db2.gz PUFCEPPCTSICRY-RLFYNMQTSA-N 1 0 386.500 2.229 20 0 GEADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824029189 608485664 /nfs/dbraw/zinc/48/56/64/608485664.db2.gz HBSROEYMSJLETG-UGSOOPFHSA-N 1 0 381.436 2.160 20 0 GEADRO COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826220413 608491267 /nfs/dbraw/zinc/49/12/67/608491267.db2.gz MXKCANVRGCWFDY-KDOFPFPSSA-N 1 0 383.452 2.104 20 0 GEADRO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825981233 608502374 /nfs/dbraw/zinc/50/23/74/608502374.db2.gz QRCCYELKDYPJOI-LJQANCHMSA-N 1 0 376.464 2.492 20 0 GEADRO CS(=O)(=O)Nc1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826224004 608505715 /nfs/dbraw/zinc/50/57/15/608505715.db2.gz KFMOJYCEEWHVPM-GOSISDBHSA-N 1 0 398.492 2.405 20 0 GEADRO CS(=O)(=O)Nc1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826224005 608505737 /nfs/dbraw/zinc/50/57/37/608505737.db2.gz KFMOJYCEEWHVPM-SFHVURJKSA-N 1 0 398.492 2.405 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)COCc1ccccc1 ZINC000826502737 608509416 /nfs/dbraw/zinc/50/94/16/608509416.db2.gz JPCZUYIQZNLFAH-ICSRJNTNSA-N 1 0 379.464 2.411 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)COCc1ccccc1 ZINC000826502736 608509745 /nfs/dbraw/zinc/50/97/45/608509745.db2.gz JPCZUYIQZNLFAH-AZUAARDMSA-N 1 0 379.464 2.411 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)C1 ZINC000826496910 608513110 /nfs/dbraw/zinc/51/31/10/608513110.db2.gz NNLPKHFMXYLQAL-AWEZNQCLSA-N 1 0 389.506 2.262 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1-n1cccn1 ZINC000824562052 608517309 /nfs/dbraw/zinc/51/73/09/608517309.db2.gz CEQKFDSBGFTLQD-AWEZNQCLSA-N 1 0 388.435 2.342 20 0 GEADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000826517860 608518868 /nfs/dbraw/zinc/51/88/68/608518868.db2.gz QYILBDMRFIAJRK-UFYCRDLUSA-N 1 0 382.512 2.477 20 0 GEADRO C[C@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000446291319 649976330 /nfs/dbraw/zinc/97/63/30/649976330.db2.gz JRFXHQVLVLVIEK-KPXOXKRLSA-N 1 0 383.221 2.376 20 0 GEADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826412697 608526561 /nfs/dbraw/zinc/52/65/61/608526561.db2.gz ZOWGNACRSPWNLT-LPHOPBHVSA-N 1 0 378.436 2.173 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000826231939 608527565 /nfs/dbraw/zinc/52/75/65/608527565.db2.gz RXASROJSENZKRZ-RISCZKNCSA-N 1 0 375.379 2.235 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000826412419 608528140 /nfs/dbraw/zinc/52/81/40/608528140.db2.gz NJZJJNGPWTYWST-QGZVFWFLSA-N 1 0 390.447 2.085 20 0 GEADRO O[C@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)COc1cccc2[nH]ccc21 ZINC000826503287 608534358 /nfs/dbraw/zinc/53/43/58/608534358.db2.gz UTTMTPSYZIDBNP-MRXNPFEDSA-N 1 0 390.447 2.367 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000824319212 608548859 /nfs/dbraw/zinc/54/88/59/608548859.db2.gz JGSNZCBCPXATDB-INIZCTEOSA-N 1 0 387.488 2.458 20 0 GEADRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826283127 608552621 /nfs/dbraw/zinc/55/26/21/608552621.db2.gz LBXVBTWGVPVWTJ-ZDUSSCGKSA-N 1 0 389.456 2.439 20 0 GEADRO Cc1cc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000826262558 608553988 /nfs/dbraw/zinc/55/39/88/608553988.db2.gz RZGIXVZVYWDZOD-CYBMUJFWSA-N 1 0 389.456 2.439 20 0 GEADRO CC(C)C[N@H+](CC(N)=O)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824255155 608559065 /nfs/dbraw/zinc/55/90/65/608559065.db2.gz ANYHDLLOAPWORU-UHFFFAOYSA-N 1 0 394.479 2.389 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000826169737 608561121 /nfs/dbraw/zinc/56/11/21/608561121.db2.gz CBQNMZPKUHKDAL-CYBMUJFWSA-N 1 0 376.424 2.307 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824109460 608578641 /nfs/dbraw/zinc/57/86/41/608578641.db2.gz RBBCSIRRZWKKTB-HZPDHXFCSA-N 1 0 388.472 2.281 20 0 GEADRO CCC[N@H+](CC(=O)NC)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825307999 608619791 /nfs/dbraw/zinc/61/97/91/608619791.db2.gz SRIGURQDJPMQIO-UHFFFAOYSA-N 1 0 394.479 2.404 20 0 GEADRO CC(C)n1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000824371913 608658350 /nfs/dbraw/zinc/65/83/50/608658350.db2.gz YLOCLWJZBGTIHE-UHFFFAOYSA-N 1 0 394.483 2.495 20 0 GEADRO Cc1ncccc1C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826330354 608659838 /nfs/dbraw/zinc/65/98/38/608659838.db2.gz QLMFMNYTFWTXFE-UHFFFAOYSA-N 1 0 377.452 2.421 20 0 GEADRO C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@H](c1cccs1)N1CCOCC1 ZINC000825953595 608687654 /nfs/dbraw/zinc/68/76/54/608687654.db2.gz LDXBXGKMHIDCHL-OAHLLOKOSA-N 1 0 390.538 2.495 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000826518210 608746443 /nfs/dbraw/zinc/74/64/43/608746443.db2.gz GCPCIEXRGVDDDH-SFHVURJKSA-N 1 0 397.483 2.065 20 0 GEADRO Cc1cccc(N2CC[NH+](CCCNc3cnccc3-c3nn[nH]n3)CC2)c1 ZINC000826298664 608772494 /nfs/dbraw/zinc/77/24/94/608772494.db2.gz BTIOYPPLOPMIGX-UHFFFAOYSA-N 1 0 378.484 2.194 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000824999214 608808592 /nfs/dbraw/zinc/80/85/92/608808592.db2.gz DZLOHSACBFMPAH-CMPLNLGQSA-N 1 0 393.398 2.169 20 0 GEADRO CC[C@@H](C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C)c1ccccc1 ZINC000825121843 608834650 /nfs/dbraw/zinc/83/46/50/608834650.db2.gz VZDNIBVCGWNPIM-CVEARBPZSA-N 1 0 378.484 2.361 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000826521393 608837866 /nfs/dbraw/zinc/83/78/66/608837866.db2.gz KIXWUFDPTWEYIE-SFHVURJKSA-N 1 0 389.463 2.348 20 0 GEADRO c1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515779 608859597 /nfs/dbraw/zinc/85/95/97/608859597.db2.gz KOFOUUZTBJHTNK-OALUTQOASA-N 1 0 376.464 2.097 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446383103 649978985 /nfs/dbraw/zinc/97/89/85/649978985.db2.gz RJVLKZUYGZJILT-DZGCQCFKSA-N 1 0 398.276 2.326 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824616936 609133486 /nfs/dbraw/zinc/13/34/86/609133486.db2.gz BOLCTDSPOHXOTA-CYBMUJFWSA-N 1 0 398.442 2.324 20 0 GEADRO COc1cc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)ccc1OCCO ZINC000826179467 609135719 /nfs/dbraw/zinc/13/57/19/609135719.db2.gz PGYSQPDUSKHGKW-LBPRGKRZSA-N 1 0 387.415 2.236 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824554752 609142410 /nfs/dbraw/zinc/14/24/10/609142410.db2.gz RUYFEIVBCOTJIF-GXTWGEPZSA-N 1 0 395.442 2.034 20 0 GEADRO CCc1nc(CN2CCC[C@H]([NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000825745184 609155976 /nfs/dbraw/zinc/15/59/76/609155976.db2.gz JHVVZCFLQQHZID-CJNGLKHVSA-N 1 0 382.472 2.127 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000826334766 609160351 /nfs/dbraw/zinc/16/03/51/609160351.db2.gz IRUOYFXKPFFSMT-SFHVURJKSA-N 1 0 394.483 2.282 20 0 GEADRO O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826398575 609222992 /nfs/dbraw/zinc/22/29/92/609222992.db2.gz ZMXOVZRLNNMGKM-QFBILLFUSA-N 1 0 398.511 2.015 20 0 GEADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826160407 609253467 /nfs/dbraw/zinc/25/34/67/609253467.db2.gz QMZBSMANWGKFGW-MSOLQXFVSA-N 1 0 386.500 2.011 20 0 GEADRO COc1cc(OC)c(OC)cc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826180877 609312812 /nfs/dbraw/zinc/31/28/12/609312812.db2.gz AUZZEIFHUHLEFX-UHFFFAOYSA-N 1 0 385.424 2.061 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824569585 609329164 /nfs/dbraw/zinc/32/91/64/609329164.db2.gz JBJUFJXOJIJXHD-BXUZGUMPSA-N 1 0 375.379 2.235 20 0 GEADRO Cc1ccccc1[C@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826305530 609340075 /nfs/dbraw/zinc/34/00/75/609340075.db2.gz ADAJLUONBUZWBE-LJQANCHMSA-N 1 0 389.463 2.399 20 0 GEADRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)ncn1 ZINC000826090993 609341352 /nfs/dbraw/zinc/34/13/52/609341352.db2.gz UGEOKWHKNOKTET-TZMCWYRMSA-N 1 0 397.462 2.157 20 0 GEADRO CC(C)[C@H](O)C1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824200018 609344190 /nfs/dbraw/zinc/34/41/90/609344190.db2.gz OFCPCZNSLMHPNL-SFHVURJKSA-N 1 0 381.484 2.154 20 0 GEADRO O=C(C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)NCC1CC1 ZINC000826412150 609346833 /nfs/dbraw/zinc/34/68/33/609346833.db2.gz DEBUNGSUFHQTBR-UHFFFAOYSA-N 1 0 392.463 2.062 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000823821237 609358449 /nfs/dbraw/zinc/35/84/49/609358449.db2.gz PYUQTECCGUFXSL-UHFFFAOYSA-N 1 0 377.290 2.157 20 0 GEADRO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3Br)C2)cn1 ZINC000826360126 609362864 /nfs/dbraw/zinc/36/28/64/609362864.db2.gz YMEZRPRMYXBNSE-GFCCVEGCSA-N 1 0 388.273 2.352 20 0 GEADRO CS[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@H]1[NH+](C)C ZINC000826227324 609367252 /nfs/dbraw/zinc/36/72/52/609367252.db2.gz PFQBMQMSGYIQIP-ZIAGYGMSSA-N 1 0 397.346 2.107 20 0 GEADRO C[C@@H]1CC[C@@]2(CC[N@@H+]([C@@H]3CC(=O)N(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1 ZINC000824915526 609368044 /nfs/dbraw/zinc/36/80/44/609368044.db2.gz FTUSHXLSHSEZIP-OWDMVUQNSA-N 1 0 380.452 2.011 20 0 GEADRO C[N@H+](CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1)C1CC1 ZINC000825941353 609376925 /nfs/dbraw/zinc/37/69/25/609376925.db2.gz GTPINOGKXBYJSD-UHFFFAOYSA-N 1 0 378.436 2.483 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000826028647 609381550 /nfs/dbraw/zinc/38/15/50/609381550.db2.gz FDNFGCUCARBSAD-CQSZACIVSA-N 1 0 378.436 2.483 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826033770 609384225 /nfs/dbraw/zinc/38/42/25/609384225.db2.gz JWVBKXJTQVZEDD-CQSZACIVSA-N 1 0 378.436 2.483 20 0 GEADRO O[C@H]1CC[N@H+](Cc2ccccc2CNc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC000826506978 609388683 /nfs/dbraw/zinc/38/86/83/609388683.db2.gz GPFWPRBDPQGKBP-HNNXBMFYSA-N 1 0 385.859 2.094 20 0 GEADRO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@@H]2CCCO[C@H]21 ZINC000824784140 609416506 /nfs/dbraw/zinc/41/65/06/609416506.db2.gz NWNXGCPZHUNALF-BSDSXHPESA-N 1 0 396.495 2.155 20 0 GEADRO CC(C)[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000824337946 609438659 /nfs/dbraw/zinc/43/86/59/609438659.db2.gz KUMHSKWXDWGIAW-CYBMUJFWSA-N 1 0 392.529 2.132 20 0 GEADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826266188 609453244 /nfs/dbraw/zinc/45/32/44/609453244.db2.gz FYUSQDQVOAFFQO-UHFFFAOYSA-N 1 0 383.481 2.304 20 0 GEADRO Cc1ccnc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1-c1nn[nH]n1 ZINC000826311079 609523466 /nfs/dbraw/zinc/52/34/66/609523466.db2.gz SEWDNFNLEFOTHF-UHFFFAOYSA-N 1 0 399.886 2.425 20 0 GEADRO COc1ccc(C[N@@H+]2CCCN(c3nccc(C)c3-c3nn[nH]n3)CC2)cc1 ZINC000826194781 609526587 /nfs/dbraw/zinc/52/65/87/609526587.db2.gz WDBZHYSDJTZVQY-UHFFFAOYSA-N 1 0 379.468 2.291 20 0 GEADRO COC[C@@H](C)OC[C@@H](O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000446702965 649986905 /nfs/dbraw/zinc/98/69/05/649986905.db2.gz VZIOJZRQXKMMPA-DOMZBBRYSA-N 1 0 376.291 2.302 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000446965951 649991343 /nfs/dbraw/zinc/99/13/43/649991343.db2.gz KHHGLDOVAPFTMY-UHFFFAOYSA-N 1 0 379.511 2.152 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000447252033 650003626 /nfs/dbraw/zinc/00/36/26/650003626.db2.gz WVOLFQONBXPIAH-HQJQHLMTSA-N 1 0 387.221 2.436 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447861511 650009604 /nfs/dbraw/zinc/00/96/04/650009604.db2.gz BJSSZQHQJZCFJF-NSHDSACASA-N 1 0 386.411 2.480 20 0 GEADRO COCC[C@@]1([NH2+]CC(=O)N[C@H](C)c2ccc(Br)cc2)CCOC1 ZINC000447405425 650006353 /nfs/dbraw/zinc/00/63/53/650006353.db2.gz PGGNPPNHJXJTPN-CXAGYDPISA-N 1 0 385.302 2.412 20 0 GEADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000448135189 650013769 /nfs/dbraw/zinc/01/37/69/650013769.db2.gz RNBVWEPJATVFAQ-HUUCEWRRSA-N 1 0 385.555 2.187 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000448318799 650015093 /nfs/dbraw/zinc/01/50/93/650015093.db2.gz CHIGGYDILHKEBL-ZDUSSCGKSA-N 1 0 383.290 2.019 20 0 GEADRO COC(=O)C1(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000448526399 650016465 /nfs/dbraw/zinc/01/64/65/650016465.db2.gz ZPLZEBITYGXCSX-GFCCVEGCSA-N 1 0 396.285 2.448 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cc(Br)ccc2C)CC1 ZINC000448973561 650027882 /nfs/dbraw/zinc/02/78/82/650027882.db2.gz CMFSFOCCDUMHGN-OAHLLOKOSA-N 1 0 382.346 2.442 20 0 GEADRO OCC[N@H+](CCN1CCOCC1)Cc1ccnc2c(Br)cccc12 ZINC000449014180 650029685 /nfs/dbraw/zinc/02/96/85/650029685.db2.gz GXOXPHBHGXILGY-UHFFFAOYSA-N 1 0 394.313 2.124 20 0 GEADRO C[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449103651 650031602 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20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](CO)C1CC1 ZINC000449336388 650038902 /nfs/dbraw/zinc/03/89/02/650038902.db2.gz NCCVXFFRFDPGRD-BXUZGUMPSA-N 1 0 385.302 2.071 20 0 GEADRO C[C@@H]1CSC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000449314284 650038165 /nfs/dbraw/zinc/03/81/65/650038165.db2.gz BWVYWNMBRKYOHB-DGCLKSJQSA-N 1 0 393.372 2.459 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cc(F)cc(Br)c1)NCC1CCC1 ZINC000449125642 650032275 /nfs/dbraw/zinc/03/22/75/650032275.db2.gz RTOGKFKAAQZDPT-UHFFFAOYSA-N 1 0 379.295 2.397 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNCc2ccc(I)cc2)CC1 ZINC000449125406 650032288 /nfs/dbraw/zinc/03/22/88/650032288.db2.gz SEVDAOBEOIYYMZ-INIZCTEOSA-N 1 0 388.293 2.474 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449682136 650045279 /nfs/dbraw/zinc/04/52/79/650045279.db2.gz KZKQSEUERUOPTC-WCQYABFASA-N 1 0 396.322 2.152 20 0 GEADRO COC(=O)c1ccc(CNC[C@@H]2CCC[N@@H+]2CCCO)c(Br)c1 ZINC000449387185 650039409 /nfs/dbraw/zinc/03/94/09/650039409.db2.gz KVOSIZWMAWDCKZ-HNNXBMFYSA-N 1 0 385.302 2.172 20 0 GEADRO COCCN1CC[C@@H]([NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)C1 ZINC000449683783 650045345 /nfs/dbraw/zinc/04/53/45/650045345.db2.gz NVAPPBOIQLHOPD-DOTOQJQBSA-N 1 0 385.346 2.219 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000449443284 650040995 /nfs/dbraw/zinc/04/09/95/650040995.db2.gz RBYPTTRUKWGVGX-LSDHHAIUSA-N 1 0 375.332 2.224 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CCCNC1=O ZINC000449440373 650040998 /nfs/dbraw/zinc/04/09/98/650040998.db2.gz ZAYMSNNPJIUMHZ-AWEZNQCLSA-N 1 0 399.285 2.068 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449443729 650041027 /nfs/dbraw/zinc/04/10/27/650041027.db2.gz VGVILGVRLPKSFX-GFCCVEGCSA-N 1 0 386.315 2.415 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1C ZINC000449686054 650045529 /nfs/dbraw/zinc/04/55/29/650045529.db2.gz VINJSDLCEIVTGF-GXTWGEPZSA-N 1 0 392.359 2.321 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cnn(C)c2C)cc1Br ZINC000449599823 650043137 /nfs/dbraw/zinc/04/31/37/650043137.db2.gz MGZNPQSAIAVAIP-AWEZNQCLSA-N 1 0 382.302 2.440 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000449601405 650043431 /nfs/dbraw/zinc/04/34/31/650043431.db2.gz RLYHKFYLWGWYNX-GFCCVEGCSA-N 1 0 397.292 2.385 20 0 GEADRO CN(C)c1cc(NCc2cccc(S(C)(=O)=O)c2)[nH+]cc1Br ZINC000449641997 650044364 /nfs/dbraw/zinc/04/43/64/650044364.db2.gz FNOGLRFSAICYAO-UHFFFAOYSA-N 1 0 384.299 2.926 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cn(C)nc1C ZINC000449678622 650044922 /nfs/dbraw/zinc/04/49/22/650044922.db2.gz FVGLDHDKRRRKAM-ZDUSSCGKSA-N 1 0 382.302 2.440 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1nccnc1OC ZINC000449677388 650044993 /nfs/dbraw/zinc/04/49/93/650044993.db2.gz ARAPISFNQSAZEJ-GFCCVEGCSA-N 1 0 396.285 2.197 20 0 GEADRO O=C1CC[C@@H]([NH+]2CCN(Cc3ccc(F)c(Br)c3)CC2)CCN1 ZINC000449697863 650046067 /nfs/dbraw/zinc/04/60/67/650046067.db2.gz MITAXYFISAUKRE-CQSZACIVSA-N 1 0 384.293 2.375 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(Cc3cccc(F)c3Br)CC2)CCN1 ZINC000449693971 650046142 /nfs/dbraw/zinc/04/61/42/650046142.db2.gz GJASWIGDZRVRAG-AWEZNQCLSA-N 1 0 384.293 2.375 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000449700197 650046485 /nfs/dbraw/zinc/04/64/85/650046485.db2.gz SIFVXKIWBSANHR-CABCVRRESA-N 1 0 394.313 2.306 20 0 GEADRO O=C1CC[C@@H]([NH+]2CCN(Cc3ccc(F)cc3Br)CC2)CCN1 ZINC000449705746 650046729 /nfs/dbraw/zinc/04/67/29/650046729.db2.gz ZCOQATJFZZPPPW-OAHLLOKOSA-N 1 0 384.293 2.375 20 0 GEADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000449706389 650046782 /nfs/dbraw/zinc/04/67/82/650046782.db2.gz AUBYZICUSKQFAT-DOTOQJQBSA-N 1 0 399.329 2.139 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449712369 650047167 /nfs/dbraw/zinc/04/71/67/650047167.db2.gz RJVKNDLVKQDJSY-LALPHHSUSA-N 1 0 385.302 2.213 20 0 GEADRO CSc1ccc(N2C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2=O)cc1 ZINC000449714616 650047225 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CC[C@@H]1CN(C(=O)Cc2sccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000450029840 650058717 /nfs/dbraw/zinc/05/87/17/650058717.db2.gz WZBGSDHVYAXHHO-NWDGAFQWSA-N 1 0 375.332 2.357 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000449948243 650056487 /nfs/dbraw/zinc/05/64/87/650056487.db2.gz LJZYQDHAGGEXEZ-OAHLLOKOSA-N 1 0 381.314 2.481 20 0 GEADRO O=C(CCc1cccc(F)c1Br)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000450231195 650062564 /nfs/dbraw/zinc/06/25/64/650062564.db2.gz ITSGNVNYXCGZFE-CQSZACIVSA-N 1 0 387.293 2.484 20 0 GEADRO Ic1ccc(N2CC[NH+](CC3CCOCC3)CC2)nc1 ZINC000450339789 650064057 /nfs/dbraw/zinc/06/40/57/650064057.db2.gz BTTSYNYGMITRSR-UHFFFAOYSA-N 1 0 387.265 2.235 20 0 GEADRO Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)sc1S(N)(=O)=O ZINC000450811558 650070994 /nfs/dbraw/zinc/07/09/94/650070994.db2.gz NROLLEMJNLOZHK-CYBMUJFWSA-N 1 0 380.539 2.057 20 0 GEADRO C[N@@H+](Cc1cccc(Br)c1OCC(C)(C)O)C[C@H]1COCCO1 ZINC000450825660 650071478 /nfs/dbraw/zinc/07/14/78/650071478.db2.gz FLEWNDDSUSBUPP-AWEZNQCLSA-N 1 0 388.302 2.446 20 0 GEADRO COc1ccc(C[C@@H](CO)CNc2ncnc3[nH]ccc32)cc1Br ZINC000450839439 650071739 /nfs/dbraw/zinc/07/17/39/650071739.db2.gz CETWLGVNQWYUKV-GFCCVEGCSA-N 1 0 391.269 2.992 20 0 GEADRO O=S(=O)(Cc1ccc(Br)c(F)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000451047058 650081918 /nfs/dbraw/zinc/08/19/18/650081918.db2.gz WNULIXDYICCAMP-GFCCVEGCSA-N 1 0 391.306 2.492 20 0 GEADRO COCCOC[C@H](O)C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000451072885 650083847 /nfs/dbraw/zinc/08/38/47/650083847.db2.gz HWKXQQJTLSYEHQ-MRXNPFEDSA-N 1 0 375.868 2.184 20 0 GEADRO COCCOC[C@@H](O)C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000451072884 650083882 /nfs/dbraw/zinc/08/38/82/650083882.db2.gz HWKXQQJTLSYEHQ-INIZCTEOSA-N 1 0 375.868 2.184 20 0 GEADRO CCS(=O)(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000451090524 650085166 /nfs/dbraw/zinc/08/51/66/650085166.db2.gz PDHYWOMJHGBBSG-LLVKDONJSA-N 1 0 376.320 2.351 20 0 GEADRO Cc1cc(NC(=O)CN(C)[C@H]2CCN3CCO[C@H]2C3)ccc1Br ZINC000451149156 650090691 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FQJQIKQALVIMMM-ZDUSSCGKSA-N 1 0 385.249 2.387 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455657275 650311687 /nfs/dbraw/zinc/31/16/87/650311687.db2.gz MXOKFHRIBYWPTG-RYUDHWBXSA-N 1 0 380.436 2.499 20 0 GEADRO C[NH+](C)CCC1CCN(C(=O)c2ccc(I)cn2)CC1 ZINC000455658702 650312097 /nfs/dbraw/zinc/31/20/97/650312097.db2.gz FPBBMASEWLAYOV-UHFFFAOYSA-N 1 0 387.265 2.490 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(I)cn1 ZINC000455704158 650313572 /nfs/dbraw/zinc/31/35/72/650313572.db2.gz KSQWZPXAYPHDMS-AAEUAGOBSA-N 1 0 385.249 2.385 20 0 GEADRO C[C@H](CNC(=O)Nc1nc(CC(F)(F)F)cs1)C[NH+]1CCN(C)CC1 ZINC000455718560 650314146 /nfs/dbraw/zinc/31/41/46/650314146.db2.gz HTQPQBNJHDHQOX-LLVKDONJSA-N 1 0 379.452 2.253 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000455857851 650322424 /nfs/dbraw/zinc/32/24/24/650322424.db2.gz ISOYOFQKEKFPBO-UHFFFAOYSA-N 1 0 395.305 2.734 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000455810168 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C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)[C@H]2C1 ZINC000456070088 650329236 /nfs/dbraw/zinc/32/92/36/650329236.db2.gz ZJMHHXPOOWKQPP-YVSFHVDLSA-N 1 0 379.298 2.484 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]34CCC(=O)N3c3cc(Cl)ccc3S4)C[C@@H]21 ZINC000456161040 650332512 /nfs/dbraw/zinc/33/25/12/650332512.db2.gz HOYLISJCIYDXGE-VZSAFFHGSA-N 1 0 377.897 2.431 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456234338 650334850 /nfs/dbraw/zinc/33/48/50/650334850.db2.gz GOUQGNHCPUJQSZ-OKILXGFUSA-N 1 0 399.329 2.304 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000456314738 650336884 /nfs/dbraw/zinc/33/68/84/650336884.db2.gz WCTBCDKRDORHAI-JSGCOSHPSA-N 1 0 382.302 2.422 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)cc1Br ZINC000456510016 650345474 /nfs/dbraw/zinc/34/54/74/650345474.db2.gz YJRBVEMKIWSTDS-OAHLLOKOSA-N 1 0 383.330 2.367 20 0 GEADRO Cc1ncc(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(Cl)c1Cl ZINC000456730949 650361017 /nfs/dbraw/zinc/36/10/17/650361017.db2.gz DVGXXCZFRQXJMV-LBPRGKRZSA-N 1 0 385.295 2.123 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)COc2ccccc2Br)CC1 ZINC000456877835 650365123 /nfs/dbraw/zinc/36/51/23/650365123.db2.gz CSXJYZIZQDKMNP-UHFFFAOYSA-N 1 0 398.345 2.360 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000457215181 650374196 /nfs/dbraw/zinc/37/41/96/650374196.db2.gz YGFKLNMOEYJPIY-UHFFFAOYSA-N 1 0 380.432 2.022 20 0 GEADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000500539499 650380233 /nfs/dbraw/zinc/38/02/33/650380233.db2.gz WXUUIQRGWWVAIL-KRWDZBQOSA-N 1 0 385.961 2.439 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000500496948 650379499 /nfs/dbraw/zinc/37/94/99/650379499.db2.gz JKNHWPQCXMNLGY-BXUZGUMPSA-N 1 0 379.295 2.396 20 0 GEADRO OCCOC1(C[NH2+]Cc2cc(Br)cc3c2OCC3)CCOCC1 ZINC000500500014 650379896 /nfs/dbraw/zinc/37/98/96/650379896.db2.gz PZSBUCSMFLPFSI-UHFFFAOYSA-N 1 0 386.286 2.032 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)CC[N@@H+]1C ZINC000500937153 650385077 /nfs/dbraw/zinc/38/50/77/650385077.db2.gz ZALLYQIRPJWNHX-RYUDHWBXSA-N 1 0 390.347 2.276 20 0 GEADRO O=C(NCc1cc(F)cc(Br)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457963782 650391057 /nfs/dbraw/zinc/39/10/57/650391057.db2.gz RYHFCZIXSVIYEV-HNNXBMFYSA-N 1 0 388.281 2.234 20 0 GEADRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000501543809 650394663 /nfs/dbraw/zinc/39/46/63/650394663.db2.gz AYADCBSRHFZSGE-XJKSGUPXSA-N 1 0 396.329 2.415 20 0 GEADRO O=C(NCCc1ccccc1Br)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458111171 650395564 /nfs/dbraw/zinc/39/55/64/650395564.db2.gz PBLOVQIVCCFIKD-HNNXBMFYSA-N 1 0 384.318 2.138 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458118926 650395943 /nfs/dbraw/zinc/39/59/43/650395943.db2.gz VSXVEYZSCIGMBL-ZDUSSCGKSA-N 1 0 388.281 2.234 20 0 GEADRO O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000458115410 650395971 /nfs/dbraw/zinc/39/59/71/650395971.db2.gz RXRQJTOGOSHBPA-GUYCJALGSA-N 1 0 399.304 2.482 20 0 GEADRO O=C(NCc1sccc1Br)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458163787 650398460 /nfs/dbraw/zinc/39/84/60/650398460.db2.gz YVCJHRQZWVRVCD-NSHDSACASA-N 1 0 376.320 2.157 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000458172403 650398725 /nfs/dbraw/zinc/39/87/25/650398725.db2.gz GVNAUKKBWLQRFK-CQSZACIVSA-N 1 0 396.329 2.417 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)C2=O)ccc1Br ZINC000502162757 650402222 /nfs/dbraw/zinc/40/22/22/650402222.db2.gz ADPLQXQHWQNCDS-SWLSCSKDSA-N 1 0 397.317 2.112 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000458723102 650409436 /nfs/dbraw/zinc/40/94/36/650409436.db2.gz AXYLEKPDGJGKJB-AWEZNQCLSA-N 1 0 386.338 2.457 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cn1 ZINC000458728234 650409536 /nfs/dbraw/zinc/40/95/36/650409536.db2.gz GAJVCVIUCCUGRN-OCCSQVGLSA-N 1 0 385.306 2.051 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)[C@H]2C1 ZINC000502499014 650407343 /nfs/dbraw/zinc/40/73/43/650407343.db2.gz PQVWHLZWNDSDHJ-UAGQMJEPSA-N 1 0 395.297 2.074 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@H]1[NH+](C)C ZINC000503223650 650416451 /nfs/dbraw/zinc/41/64/51/650416451.db2.gz OCZHRKIGNCMNLH-OLZOCXBDSA-N 1 0 397.335 2.254 20 0 GEADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000503447261 650417601 /nfs/dbraw/zinc/41/76/01/650417601.db2.gz PETWMZHIFWRIQZ-TZMCWYRMSA-N 1 0 391.946 2.190 20 0 GEADRO Cn1cc(OCC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000503481511 650418379 /nfs/dbraw/zinc/41/83/79/650418379.db2.gz DVLASRJBPPQUSK-UHFFFAOYSA-N 1 0 395.301 2.152 20 0 GEADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1SCC)[C@H]1CCS(=O)(=O)C1 ZINC000503524166 650419332 /nfs/dbraw/zinc/41/93/32/650419332.db2.gz VTCRYKPDJLAFBI-CAOSSQGBSA-N 1 0 376.588 2.064 20 0 GEADRO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O)c1ccc(Br)cc1 ZINC000503524085 650419333 /nfs/dbraw/zinc/41/93/33/650419333.db2.gz UIXREEXAYANUGR-SWLSCSKDSA-N 1 0 382.302 2.356 20 0 GEADRO O=C(NCCc1cccc(Br)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000459156109 650419828 /nfs/dbraw/zinc/41/98/28/650419828.db2.gz WJQCVKUGFNQDDY-INIZCTEOSA-N 1 0 384.318 2.138 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1Br ZINC000459178113 650420614 /nfs/dbraw/zinc/42/06/14/650420614.db2.gz MTABVNXPYZNBER-OKILXGFUSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@H]1[NH+](C)C ZINC000459211208 650421349 /nfs/dbraw/zinc/42/13/49/650421349.db2.gz LRUSJSLXKSHEOK-ZWNOBZJWSA-N 1 0 380.290 2.417 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NCc2cccc(O)c2Br)CC1 ZINC000459409644 650424112 /nfs/dbraw/zinc/42/41/12/650424112.db2.gz RIRRJJAIKOLFCC-UHFFFAOYSA-N 1 0 384.318 2.187 20 0 GEADRO COC(=O)CC1([NH2+]CC(=O)N(C)Cc2ccccc2Br)CCC1 ZINC000459409591 650424123 /nfs/dbraw/zinc/42/41/23/650424123.db2.gz YWNAHFIWDWVXOM-UHFFFAOYSA-N 1 0 383.286 2.483 20 0 GEADRO CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cc(Cl)c1O ZINC000459485296 650425876 /nfs/dbraw/zinc/42/58/76/650425876.db2.gz UWQSULACOAKZGT-UONOGXRCSA-N 1 0 376.906 2.394 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ncc(Br)cc1S(N)(=O)=O ZINC000504041725 650426055 /nfs/dbraw/zinc/42/60/55/650426055.db2.gz KJOIJQWHUKZRNI-PHIMTYICSA-N 1 0 391.335 2.166 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H]1SC ZINC000459518551 650427234 /nfs/dbraw/zinc/42/72/34/650427234.db2.gz CJCFOUADXADLOA-NFAWXSAZSA-N 1 0 396.937 2.256 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@H]1SC ZINC000459536640 650427663 /nfs/dbraw/zinc/42/76/63/650427663.db2.gz BGCDFNFFJHIASZ-HLPPOEQASA-N 1 0 390.596 2.257 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@@H]1SC ZINC000459536128 650427703 /nfs/dbraw/zinc/42/77/03/650427703.db2.gz BGCDFNFFJHIASZ-CTASWTNQSA-N 1 0 390.596 2.257 20 0 GEADRO C[NH+](C)CC(C)(C)NCC(=O)Nc1cccc(I)c1 ZINC000459551541 650428465 /nfs/dbraw/zinc/42/84/65/650428465.db2.gz SANSOQACMBVCCR-UHFFFAOYSA-N 1 0 375.254 2.160 20 0 GEADRO C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459697838 650429897 /nfs/dbraw/zinc/42/98/97/650429897.db2.gz KNCRYIRLQXZDAR-AAEUAGOBSA-N 1 0 375.282 2.196 20 0 GEADRO CN(C)c1nccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)n1 ZINC000459706944 650430431 /nfs/dbraw/zinc/43/04/31/650430431.db2.gz ROGWSAKSFSMBNN-ZDUSSCGKSA-N 1 0 397.292 2.385 20 0 GEADRO CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459708216 650430623 /nfs/dbraw/zinc/43/06/23/650430623.db2.gz SGQKRFLTKZPFJI-IUODEOHRSA-N 1 0 387.293 2.386 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459715862 650430942 /nfs/dbraw/zinc/43/09/42/650430942.db2.gz PPMUWZURNDVLAT-UHFFFAOYSA-N 1 0 399.329 2.429 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N(C)CC[NH+](C)C)Oc1ccc(Cl)c(Cl)c1 ZINC000459892207 650435000 /nfs/dbraw/zinc/43/50/00/650435000.db2.gz CYTQCRAGZKKRJR-GFCCVEGCSA-N 1 0 390.311 2.239 20 0 GEADRO CS[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000460058600 650438922 /nfs/dbraw/zinc/43/89/22/650438922.db2.gz LLDUYPFLLXSQTA-MRXNPFEDSA-N 1 0 383.945 2.194 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000460256142 650440870 /nfs/dbraw/zinc/44/08/70/650440870.db2.gz HJYYTTRXVLORKO-MRXNPFEDSA-N 1 0 376.284 2.128 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000505812057 650441139 /nfs/dbraw/zinc/44/11/39/650441139.db2.gz KLOVXYHHDOXNST-XHBSWPGZSA-N 1 0 382.302 2.225 20 0 GEADRO CC[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)Cc1cccc(Br)c1 ZINC000460272570 650441250 /nfs/dbraw/zinc/44/12/50/650441250.db2.gz ZDXYQKKIHYNFRH-RDTXWAMCSA-N 1 0 398.345 2.384 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)c2ccc(I)c(O)c2)CC1 ZINC000506651922 650448328 /nfs/dbraw/zinc/44/83/28/650448328.db2.gz CRIRWXNUWGSRRF-UHFFFAOYSA-N 1 0 386.233 2.379 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000506141494 650443626 /nfs/dbraw/zinc/44/36/26/650443626.db2.gz XSNZIUZBOAAYOV-BETUJISGSA-N 1 0 395.301 2.326 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC[NH+]1CCC1 ZINC000506492513 650445385 /nfs/dbraw/zinc/44/53/85/650445385.db2.gz YCINEBHLMMBMGN-UHFFFAOYSA-N 1 0 383.290 2.091 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461436923 650454079 /nfs/dbraw/zinc/45/40/79/650454079.db2.gz FDTAOOAZHHVFEK-OAHLLOKOSA-N 1 0 396.329 2.335 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000461735090 650459183 /nfs/dbraw/zinc/45/91/83/650459183.db2.gz UFHAAOLVLSFIDB-UHFFFAOYSA-N 1 0 395.978 2.260 20 0 GEADRO CCN1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)[C@@H](C)C1 ZINC000507334436 650458781 /nfs/dbraw/zinc/45/87/81/650458781.db2.gz HIOMEELNZJQPDW-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000507517153 650462095 /nfs/dbraw/zinc/46/20/95/650462095.db2.gz XSRVSOLGMQBIMM-DLBZAZTESA-N 1 0 375.579 2.078 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000507556851 650462475 /nfs/dbraw/zinc/46/24/75/650462475.db2.gz XONSBOUHZASKHB-HNNXBMFYSA-N 1 0 397.317 2.103 20 0 GEADRO O=S(=O)(CCc1ccccc1Br)NCC[NH+]1CCCCC1 ZINC000462084518 650466508 /nfs/dbraw/zinc/46/65/08/650466508.db2.gz NAWMHYOLEFHTKL-UHFFFAOYSA-N 1 0 375.332 2.397 20 0 GEADRO C[C@H](CNS(=O)(=O)CCc1ccccc1Br)[N@H+](C)C1CC1 ZINC000462099629 650467958 /nfs/dbraw/zinc/46/79/58/650467958.db2.gz GGPGWKRTTKOFQG-GFCCVEGCSA-N 1 0 375.332 2.394 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)CCc1ccccc1Br ZINC000462101597 650468283 /nfs/dbraw/zinc/46/82/83/650468283.db2.gz KSGLIPGNXYDQHU-CQSZACIVSA-N 1 0 375.332 2.347 20 0 GEADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)CCc1ccccc1Br ZINC000462113861 650469816 /nfs/dbraw/zinc/46/98/16/650469816.db2.gz YMXGNNMCHMMACN-UHFFFAOYSA-N 1 0 377.348 2.499 20 0 GEADRO Cc1ccsc1S(=O)(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000462136983 650470526 /nfs/dbraw/zinc/47/05/26/650470526.db2.gz KBNZUQAPHIPDLL-UHFFFAOYSA-N 1 0 380.539 2.024 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000508207100 650477499 /nfs/dbraw/zinc/47/74/99/650477499.db2.gz RTAXRFLQDKWEFQ-UHFFFAOYSA-N 1 0 384.977 2.073 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462392659 650477644 /nfs/dbraw/zinc/47/76/44/650477644.db2.gz GCZPTUHEHVJERV-CYBMUJFWSA-N 1 0 379.707 2.477 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462395584 650477944 /nfs/dbraw/zinc/47/79/44/650477944.db2.gz MWXXDCNQGXPHNR-WBMJQRKESA-N 1 0 399.276 2.304 20 0 GEADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)cn1)Cc1ccccc1 ZINC000462462543 650480709 /nfs/dbraw/zinc/48/07/09/650480709.db2.gz HVOOJASQRYGZFA-OAHLLOKOSA-N 1 0 398.326 2.295 20 0 GEADRO CSC1(CNC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC000462512028 650482718 /nfs/dbraw/zinc/48/27/18/650482718.db2.gz OPOQQYMGGFPPNF-CYBMUJFWSA-N 1 0 382.496 2.092 20 0 GEADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000462650909 650486882 /nfs/dbraw/zinc/48/68/82/650486882.db2.gz SXMDDZUEVVFGEO-XIRDDKMYSA-N 1 0 378.314 2.201 20 0 GEADRO C[C@@H](CCc1ccsc1)[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000462788132 650490295 /nfs/dbraw/zinc/49/02/95/650490295.db2.gz DYVCPXOSWAFNAJ-HNNXBMFYSA-N 1 0 382.551 2.472 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000462867552 650491747 /nfs/dbraw/zinc/49/17/47/650491747.db2.gz JSVICOBVKSLZBG-NSHDSACASA-N 1 0 396.285 2.058 20 0 GEADRO O=C(Cc1cccc(I)c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462898010 650492490 /nfs/dbraw/zinc/49/24/90/650492490.db2.gz SIAZUGIEVOWQCI-LSDHHAIUSA-N 1 0 384.261 2.338 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCCC2CCOCC2)CC1 ZINC000463299303 650492957 /nfs/dbraw/zinc/49/29/57/650492957.db2.gz DSHXSOFUPZIDQV-UHFFFAOYSA-N 1 0 386.480 2.482 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](C)C[N@@H+]1C ZINC000509630133 650497737 /nfs/dbraw/zinc/49/77/37/650497737.db2.gz AIQCVPLHBSVTIB-DVOMOZLQSA-N 1 0 394.313 2.353 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccc(I)cc1 ZINC000509639561 650498448 /nfs/dbraw/zinc/49/84/48/650498448.db2.gz KRYNRXBSZHHMBG-RYUDHWBXSA-N 1 0 388.249 2.221 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000509709313 650499439 /nfs/dbraw/zinc/49/94/39/650499439.db2.gz ATZATCSHBQUQRU-UHFFFAOYSA-N 1 0 390.311 2.036 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000509815450 650501127 /nfs/dbraw/zinc/50/11/27/650501127.db2.gz UDFLUAIXMDUMSK-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000509826491 650501588 /nfs/dbraw/zinc/50/15/88/650501588.db2.gz RCHGJGYONSMVRZ-NSHDSACASA-N 1 0 386.290 2.241 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)Cn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000467047895 650501894 /nfs/dbraw/zinc/50/18/94/650501894.db2.gz SAHIOQGJHZEOST-CZUORRHYSA-N 1 0 377.286 2.425 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)Cn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000467047897 650501899 /nfs/dbraw/zinc/50/18/99/650501899.db2.gz SAHIOQGJHZEOST-XJKSGUPXSA-N 1 0 377.286 2.425 20 0 GEADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000510366135 650510822 /nfs/dbraw/zinc/51/08/22/650510822.db2.gz DPSMBMVPPDSDKC-BPUTZDHNSA-N 1 0 389.587 2.211 20 0 GEADRO CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000510111667 650506980 /nfs/dbraw/zinc/50/69/80/650506980.db2.gz FPFFHJJRKCVRLA-WDEREUQCSA-N 1 0 376.238 2.321 20 0 GEADRO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000510154479 650507609 /nfs/dbraw/zinc/50/76/09/650507609.db2.gz LACTUXDZELAIRX-OKILXGFUSA-N 1 0 387.311 2.146 20 0 GEADRO CCC[NH+]1CCN(C(=O)COc2cccc(I)c2)CC1 ZINC000468922630 650508435 /nfs/dbraw/zinc/50/84/35/650508435.db2.gz JHLFPSWSMITERA-UHFFFAOYSA-N 1 0 388.249 2.224 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000510325809 650510324 /nfs/dbraw/zinc/51/03/24/650510324.db2.gz ULBSIGMLDNZMRR-UHFFFAOYSA-N 1 0 399.738 2.349 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C[C@@H]1[NH+](C)C ZINC000469490689 650510590 /nfs/dbraw/zinc/51/05/90/650510590.db2.gz WJMVKVRDXSVETM-YVLXSGLVSA-N 1 0 380.286 2.283 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000510518893 650513162 /nfs/dbraw/zinc/51/31/62/650513162.db2.gz RWAMKFIPYFQMIK-SWLSCSKDSA-N 1 0 386.901 2.374 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc(C[S@](C)=O)cc2)cc1 ZINC000510655993 650516024 /nfs/dbraw/zinc/51/60/24/650516024.db2.gz CUFGDRZDBSWFLF-DEOSSOPVSA-N 1 0 380.535 2.105 20 0 GEADRO CC(C)N1CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510799727 650519277 /nfs/dbraw/zinc/51/92/77/650519277.db2.gz WOVQWHSJPJQYEU-IAGOWNOFSA-N 1 0 391.940 2.484 20 0 GEADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510798737 650519326 /nfs/dbraw/zinc/51/93/26/650519326.db2.gz SSIDNQRYOGJIPZ-APHBMKBZSA-N 1 0 387.933 2.425 20 0 GEADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000510792180 650519422 /nfs/dbraw/zinc/51/94/22/650519422.db2.gz QIEXZLOJZABHKB-VBNZEHGJSA-N 1 0 385.555 2.186 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](CCO)CC1CC1 ZINC000510923078 650521123 /nfs/dbraw/zinc/52/11/23/650521123.db2.gz XYOMGWNGQMSHKF-UHFFFAOYSA-N 1 0 375.252 2.423 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCc1cc(F)ccc1Br ZINC000473256390 650525737 /nfs/dbraw/zinc/52/57/37/650525737.db2.gz SWVOPTUUQOEHCG-INIZCTEOSA-N 1 0 375.282 2.340 20 0 GEADRO CO[C@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCOC1 ZINC000473998437 650526734 /nfs/dbraw/zinc/52/67/34/650526734.db2.gz DGOPQIBBLCJMFI-KRWDZBQOSA-N 1 0 385.302 2.181 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000474107363 650527790 /nfs/dbraw/zinc/52/77/90/650527790.db2.gz YALWPNFULYYSOP-MNOVXSKESA-N 1 0 377.304 2.219 20 0 GEADRO CN(C)S(=O)(=O)[C@@H]1CCCN(CCOc2ccc(Br)cc2)C1 ZINC000511145261 650528189 /nfs/dbraw/zinc/52/81/89/650528189.db2.gz MCGDCQYBJQLNGM-OAHLLOKOSA-N 1 0 391.331 2.184 20 0 GEADRO CN1CC[C@H]([N@H+](C)CCCOc2cccc(I)c2)C1=O ZINC000511621828 650539645 /nfs/dbraw/zinc/53/96/45/650539645.db2.gz HYIIKMAGHSVUSP-AWEZNQCLSA-N 1 0 388.249 2.223 20 0 GEADRO CC[C@H](C(=O)OC)N1CCN(CCOc2cccc(Br)c2)CC1 ZINC000511870706 650541414 /nfs/dbraw/zinc/54/14/14/650541414.db2.gz APDGKOBEFZRPDG-MRXNPFEDSA-N 1 0 385.302 2.397 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c(Br)c1 ZINC000512041938 650544248 /nfs/dbraw/zinc/54/42/48/650544248.db2.gz WAIVQLXKEDRJRY-SWLSCSKDSA-N 1 0 391.331 2.265 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c(Br)c1 ZINC000512041936 650544353 /nfs/dbraw/zinc/54/43/53/650544353.db2.gz WAIVQLXKEDRJRY-DOMZBBRYSA-N 1 0 391.331 2.265 20 0 GEADRO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000476338094 650548557 /nfs/dbraw/zinc/54/85/57/650548557.db2.gz BFMKFHQIVGCWGS-CVEARBPZSA-N 1 0 388.555 2.173 20 0 GEADRO C[S@](=O)c1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000512536113 650550284 /nfs/dbraw/zinc/55/02/84/650550284.db2.gz GKGWMZJNXKVNAP-OWJWWREXSA-N 1 0 398.575 2.286 20 0 GEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncccc1Br ZINC000476213919 650546543 /nfs/dbraw/zinc/54/65/43/650546543.db2.gz AHMGFYLTJOVPOC-GOSISDBHSA-N 1 0 390.281 2.211 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512364968 650546860 /nfs/dbraw/zinc/54/68/60/650546860.db2.gz PKRITBCHFHYJQI-UKRRQHHQSA-N 1 0 385.302 2.179 20 0 GEADRO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCCC1)c1ccc(Br)cc1 ZINC000513124019 650558202 /nfs/dbraw/zinc/55/82/02/650558202.db2.gz YNJRPVCQGBVHBA-QGZVFWFLSA-N 1 0 383.286 2.439 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)s1 ZINC000476566663 650554224 /nfs/dbraw/zinc/55/42/24/650554224.db2.gz FYJVRFVQHRXNLL-GFCCVEGCSA-N 1 0 390.527 2.086 20 0 GEADRO C[NH+](C)CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C1CC1 ZINC000476816721 650560189 /nfs/dbraw/zinc/56/01/89/650560189.db2.gz GHEOWJFQUOCDOQ-CYBMUJFWSA-N 1 0 394.313 2.355 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000476862607 650561844 /nfs/dbraw/zinc/56/18/44/650561844.db2.gz VYXZKVQDFGWLCJ-WMLDXEAASA-N 1 0 383.323 2.078 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000513463094 650563557 /nfs/dbraw/zinc/56/35/57/650563557.db2.gz ZYZTYSPYKACAAA-ZYHUDNBSSA-N 1 0 392.677 2.337 20 0 GEADRO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(Br)o1)C(C)(C)C[NH+](C)C ZINC000513483160 650563776 /nfs/dbraw/zinc/56/37/76/650563776.db2.gz JBKYAUFVOAGNRF-NSHDSACASA-N 1 0 388.306 2.093 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000477006203 650565618 /nfs/dbraw/zinc/56/56/18/650565618.db2.gz LHHMWYOAGLGATP-LLVKDONJSA-N 1 0 390.347 2.316 20 0 GEADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)c2cncs2)c1 ZINC000513745723 650568588 /nfs/dbraw/zinc/56/85/88/650568588.db2.gz FQRRNNRPGSVCHM-UHFFFAOYSA-N 1 0 382.511 2.016 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000477116347 650569063 /nfs/dbraw/zinc/56/90/63/650569063.db2.gz OSPOKGTWDOGIPS-LSDHHAIUSA-N 1 0 376.494 2.474 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000477197715 650571597 /nfs/dbraw/zinc/57/15/97/650571597.db2.gz YIAHAADFJZPJMO-CHWSQXEVSA-N 1 0 385.302 2.313 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ncsc2Br)C1 ZINC000513651832 650567204 /nfs/dbraw/zinc/56/72/04/650567204.db2.gz FOEZCAJKJAVQNN-LLVKDONJSA-N 1 0 376.320 2.479 20 0 GEADRO CCN(CCc1cccs1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000477516179 650575200 /nfs/dbraw/zinc/57/52/00/650575200.db2.gz PRWLUCWYLCBKCP-UHFFFAOYSA-N 1 0 384.571 2.376 20 0 GEADRO O=c1cc(C[N@H+]2CC[C@@H](O)C23CCCC3)nc2ccc(Br)cn12 ZINC000514648150 650575913 /nfs/dbraw/zinc/57/59/13/650575913.db2.gz UCZIZHILMJJFHK-CQSZACIVSA-N 1 0 378.270 2.336 20 0 GEADRO C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)CCc2cccs2)cc1 ZINC000477590349 650576414 /nfs/dbraw/zinc/57/64/14/650576414.db2.gz LNOIQCARAQIGSY-OAHLLOKOSA-N 1 0 384.523 2.034 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000514728565 650577882 /nfs/dbraw/zinc/57/78/82/650577882.db2.gz XLMKZCDXKLPAKW-AWEZNQCLSA-N 1 0 390.709 2.160 20 0 GEADRO Cc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)c(=O)n1C ZINC000514856441 650580727 /nfs/dbraw/zinc/58/07/27/650580727.db2.gz HACNMWHJEIARQF-UHFFFAOYSA-N 1 0 399.310 2.020 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000514856808 650581291 /nfs/dbraw/zinc/58/12/91/650581291.db2.gz CINOIWFLJJFPCK-IMSIIYSGSA-N 1 0 378.238 2.024 20 0 GEADRO Cc1cc(SCC(=O)NC[C@H]2C[NH2+]CCN2C)c(C)cc1Br ZINC000514932035 650583566 /nfs/dbraw/zinc/58/35/66/650583566.db2.gz ONQAAOBGRQQYGL-CYBMUJFWSA-N 1 0 386.359 2.178 20 0 GEADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CCO1 ZINC000478269423 650583578 /nfs/dbraw/zinc/58/35/78/650583578.db2.gz WDWPVRAATMVSCS-JTQLQIEISA-N 1 0 396.207 2.066 20 0 GEADRO Cc1cccc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000514933790 650583582 /nfs/dbraw/zinc/58/35/82/650583582.db2.gz YPLOMSWVBYRARW-INIZCTEOSA-N 1 0 383.897 2.452 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000478447418 650585792 /nfs/dbraw/zinc/58/57/92/650585792.db2.gz KMRNGHQBEMOHHR-UHFFFAOYSA-N 1 0 379.258 2.154 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)C[C@H]3CCC[NH2+]3)C2=O)ccc1Br ZINC000515646022 650593284 /nfs/dbraw/zinc/59/32/84/650593284.db2.gz PXDOQFGOHMPZPB-DOMZBBRYSA-N 1 0 380.286 2.121 20 0 GEADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000515234272 650590154 /nfs/dbraw/zinc/59/01/54/650590154.db2.gz GFIWMHJYQJOYOJ-LXZKKBNFSA-N 1 0 387.318 2.030 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CCO1 ZINC000478713406 650590444 /nfs/dbraw/zinc/59/04/44/650590444.db2.gz MISVTRUQNPZJTO-NSHDSACASA-N 1 0 379.869 2.454 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1OC ZINC000515333120 650591872 /nfs/dbraw/zinc/59/18/72/650591872.db2.gz DFLNPJXUMJWZAP-NSHDSACASA-N 1 0 392.905 2.142 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cccc(Br)c1 ZINC000478855381 650592039 /nfs/dbraw/zinc/59/20/39/650592039.db2.gz FVHCFDBWCAXIOK-HNNXBMFYSA-N 1 0 375.270 2.475 20 0 GEADRO C[C@H](NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ncc(Br)cn1 ZINC000515621117 650593052 /nfs/dbraw/zinc/59/30/52/650593052.db2.gz YOQJQWODKJOXTN-AVGNSLFASA-N 1 0 382.306 2.331 20 0 GEADRO CC1CC[NH+](CCNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000515738363 650593830 /nfs/dbraw/zinc/59/38/30/650593830.db2.gz TUYDASGCCZDTAM-UHFFFAOYSA-N 1 0 385.917 2.235 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479047072 650595150 /nfs/dbraw/zinc/59/51/50/650595150.db2.gz KPJNTZDLMKFKJF-CYBMUJFWSA-N 1 0 386.323 2.452 20 0 GEADRO O=C(CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)Nc1ccc(Br)cc1 ZINC000516261506 650596285 /nfs/dbraw/zinc/59/62/85/650596285.db2.gz KEVORGBSQGGTAT-STQMWFEESA-N 1 0 395.301 2.029 20 0 GEADRO C[C@@H](CNC(=O)CN(C)C(=O)c1ccc(Br)s1)[NH+]1CCCC1 ZINC000516390659 650597174 /nfs/dbraw/zinc/59/71/74/650597174.db2.gz GVWCFDCXNNENKZ-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1Br ZINC000479310544 650601010 /nfs/dbraw/zinc/60/10/10/650601010.db2.gz CPQNVQJNBVIXNU-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO [NH3+]CCCN(Cc1ccccc1)C(=O)CCn1cc(Br)ccc1=O ZINC000479341944 650601623 /nfs/dbraw/zinc/60/16/23/650601623.db2.gz GZZKGQFGGBMQBI-UHFFFAOYSA-N 1 0 392.297 2.379 20 0 GEADRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479387891 650602492 /nfs/dbraw/zinc/60/24/92/650602492.db2.gz JMSPKMITLWPSGH-BONVTDFDSA-N 1 0 397.324 2.081 20 0 GEADRO OC[C@H](CC1CCC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000518186077 650602603 /nfs/dbraw/zinc/60/26/03/650602603.db2.gz YVEHNDOYSTZURY-GJZGRUSLSA-N 1 0 376.266 2.469 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479407987 650603021 /nfs/dbraw/zinc/60/30/21/650603021.db2.gz KHFBEONSHHOCAU-IGJMFERPSA-N 1 0 394.324 2.206 20 0 GEADRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479453704 650603946 /nfs/dbraw/zinc/60/39/46/650603946.db2.gz JZRQYCVMGMJRKT-SECBINFHSA-N 1 0 377.297 2.268 20 0 GEADRO C[C@]1(CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000518756624 650607226 /nfs/dbraw/zinc/60/72/26/650607226.db2.gz VRRLPHCDNUGYMU-KRWDZBQOSA-N 1 0 397.317 2.467 20 0 GEADRO C[NH+](C)[C@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000519698329 650610655 /nfs/dbraw/zinc/61/06/55/650610655.db2.gz BVQHBPCJDKDYIP-IKGGRYGDSA-N 1 0 386.323 2.264 20 0 GEADRO C[NH+](C)[C@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000519698330 650610669 /nfs/dbraw/zinc/61/06/69/650610669.db2.gz BVQHBPCJDKDYIP-ULQDDVLXSA-N 1 0 386.323 2.264 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000519706335 650611037 /nfs/dbraw/zinc/61/10/37/650611037.db2.gz JNPDEYZWZZJQNA-SNVBAGLBSA-N 1 0 395.294 2.359 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc(I)c1 ZINC000519730332 650611535 /nfs/dbraw/zinc/61/15/35/650611535.db2.gz YMVAYTFFCKQAEJ-LLVKDONJSA-N 1 0 396.294 2.298 20 0 GEADRO O=S1(=O)CC[C@@H](C[NH2+]C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000519740843 650612408 /nfs/dbraw/zinc/61/24/08/650612408.db2.gz CKNDFRABBGUWAC-ZDUSSCGKSA-N 1 0 388.327 2.479 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000520473438 650614461 /nfs/dbraw/zinc/61/44/61/650614461.db2.gz DPLMKFJYXZXPDQ-JKIFEVAISA-N 1 0 387.571 2.042 20 0 GEADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000521410964 650616965 /nfs/dbraw/zinc/61/69/65/650616965.db2.gz MJCRNYCSAAPMHF-RISCZKNCSA-N 1 0 385.295 2.116 20 0 GEADRO COc1ccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(Br)c1 ZINC000521941863 650620395 /nfs/dbraw/zinc/62/03/95/650620395.db2.gz NASBHTCZMGOABE-QGZVFWFLSA-N 1 0 396.329 2.196 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccnn1COC ZINC000480279713 650618736 /nfs/dbraw/zinc/61/87/36/650618736.db2.gz RVUCFOPBQDRGEB-UHFFFAOYSA-N 1 0 386.543 2.081 20 0 GEADRO C[C@@H](CN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000521999740 650621667 /nfs/dbraw/zinc/62/16/67/650621667.db2.gz UYSSYJMSLOGWOP-NHYWBVRUSA-N 1 0 388.295 2.087 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000522184837 650623425 /nfs/dbraw/zinc/62/34/25/650623425.db2.gz IBYZRBCFXFAAOR-CYBMUJFWSA-N 1 0 384.318 2.416 20 0 GEADRO NC(=O)c1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1 ZINC000522213637 650623874 /nfs/dbraw/zinc/62/38/74/650623874.db2.gz UGIBFAQAVWUXPT-UHFFFAOYSA-N 1 0 376.254 2.068 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000522446127 650625143 /nfs/dbraw/zinc/62/51/43/650625143.db2.gz JPCGAKSEAJLZJZ-LBPRGKRZSA-N 1 0 398.301 2.135 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000480647886 650626718 /nfs/dbraw/zinc/62/67/18/650626718.db2.gz PEFXYEHAJKHKRH-FZMZJTMJSA-N 1 0 391.331 2.418 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c(Br)c1 ZINC000480797713 650632923 /nfs/dbraw/zinc/63/29/23/650632923.db2.gz QJQPOIRDUWJDJL-UHFFFAOYSA-N 1 0 398.282 2.498 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2ccccc2CSc2nc[nH]n2)CCSC1 ZINC000481208762 650640943 /nfs/dbraw/zinc/64/09/43/650640943.db2.gz YKLFHTDZYILIOY-QGZVFWFLSA-N 1 0 377.539 2.264 20 0 GEADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000481394578 650645881 /nfs/dbraw/zinc/64/58/81/650645881.db2.gz WUHUZLSFJUDIMO-AWEZNQCLSA-N 1 0 393.372 2.473 20 0 GEADRO O=C(CC[N@@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc(Br)cc1 ZINC000481326771 650644278 /nfs/dbraw/zinc/64/42/78/650644278.db2.gz ZPHKVIOBOZLOPS-UHFFFAOYSA-N 1 0 377.242 2.332 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Br ZINC000481339593 650644513 /nfs/dbraw/zinc/64/45/13/650644513.db2.gz MXPJUOXMNRZCRG-AWEZNQCLSA-N 1 0 393.372 2.473 20 0 GEADRO CCC[NH+]1CCN(C(=O)COc2ccc(I)cc2)CC1 ZINC000524698124 650645241 /nfs/dbraw/zinc/64/52/41/650645241.db2.gz ACHLTYWIMQVKPC-UHFFFAOYSA-N 1 0 388.249 2.224 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000481466908 650647049 /nfs/dbraw/zinc/64/70/49/650647049.db2.gz QYCBQBPLAXLRAD-UHFFFAOYSA-N 1 0 385.848 2.394 20 0 GEADRO CC[C@H]([NH2+]C[C@H](O)COCC(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481922468 650656188 /nfs/dbraw/zinc/65/61/88/650656188.db2.gz ORCLLIQCOFMZDK-HOCLYGCPSA-N 1 0 392.949 2.322 20 0 GEADRO CC[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481927877 650656550 /nfs/dbraw/zinc/65/65/50/650656550.db2.gz SMPPCBXHBHASMA-CZUORRHYSA-N 1 0 389.949 2.010 20 0 GEADRO CC[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481992007 650657881 /nfs/dbraw/zinc/65/78/81/650657881.db2.gz MSAAFJSLTCSMKS-HZPDHXFCSA-N 1 0 390.933 2.076 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)C[C@@H]1[NH+]1CCCC1 ZINC000525835692 650658341 /nfs/dbraw/zinc/65/83/41/650658341.db2.gz NKXVFSZGYJTBLC-JKSUJKDBSA-N 1 0 386.587 2.281 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000525835984 650658354 /nfs/dbraw/zinc/65/83/54/650658354.db2.gz DSVRLVCDZPIWTO-UHFFFAOYSA-N 1 0 385.917 2.330 20 0 GEADRO COc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1Br ZINC000482029644 650658565 /nfs/dbraw/zinc/65/85/65/650658565.db2.gz IEUBDPULIGUTAD-UHFFFAOYSA-N 1 0 384.318 2.214 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000525839000 650658695 /nfs/dbraw/zinc/65/86/95/650658695.db2.gz JYXDSTVYRNMHAS-ZDUSSCGKSA-N 1 0 382.302 2.462 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000482103372 650659975 /nfs/dbraw/zinc/65/99/75/650659975.db2.gz MVFKPOLHJNZZGZ-INIZCTEOSA-N 1 0 375.604 2.304 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000525979109 650662123 /nfs/dbraw/zinc/66/21/23/650662123.db2.gz ZFXCKLPUZAMVSM-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000526041273 650663429 /nfs/dbraw/zinc/66/34/29/650663429.db2.gz AUSYXHRFELOAOT-OLZOCXBDSA-N 1 0 379.448 2.238 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000482846023 650669862 /nfs/dbraw/zinc/66/98/62/650669862.db2.gz SNYDHDOAMPCSJH-OAHLLOKOSA-N 1 0 378.274 2.082 20 0 GEADRO Brc1cnn(CCCC[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000527528248 650677692 /nfs/dbraw/zinc/67/76/92/650677692.db2.gz RBPMWELWBRSWFS-UHFFFAOYSA-N 1 0 379.306 2.474 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H](O)Cc2c(F)cccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000483387891 650678028 /nfs/dbraw/zinc/67/80/28/650678028.db2.gz CIFBDAXDMQNXNF-IXDOHACOSA-N 1 0 386.920 2.421 20 0 GEADRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cncc(Br)c1 ZINC000527957062 650683524 /nfs/dbraw/zinc/68/35/24/650683524.db2.gz RSLLNFCRMZRYOD-DYVFJYSZSA-N 1 0 384.318 2.111 20 0 GEADRO CN(C)C(=O)CN1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527657153 650681377 /nfs/dbraw/zinc/68/13/77/650681377.db2.gz JKMNNJGYKXDSLF-UHFFFAOYSA-N 1 0 390.272 2.370 20 0 GEADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000527658644 650681418 /nfs/dbraw/zinc/68/14/18/650681418.db2.gz YHXGJUOMVLTHAM-UHFFFAOYSA-N 1 0 381.361 2.109 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000483829773 650682270 /nfs/dbraw/zinc/68/22/70/650682270.db2.gz BFFDUEMAQVRUNN-IAGOWNOFSA-N 1 0 382.917 2.476 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000527768756 650682710 /nfs/dbraw/zinc/68/27/10/650682710.db2.gz RSUAFUAMPSWYPZ-LLVKDONJSA-N 1 0 392.244 2.247 20 0 GEADRO Cc1ccc(Br)cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000483887468 650682780 /nfs/dbraw/zinc/68/27/80/650682780.db2.gz NTWXPDBRJXFWMO-MRXNPFEDSA-N 1 0 394.313 2.136 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)NCCC[NH+]3CCCC3)c(Cl)cc21 ZINC000528292188 650687665 /nfs/dbraw/zinc/68/76/65/650687665.db2.gz IOYATQSXCLVCDB-UHFFFAOYSA-N 1 0 385.917 2.013 20 0 GEADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000484611275 650687763 /nfs/dbraw/zinc/68/77/63/650687763.db2.gz BTCRJMTZAXXBQL-GJZGRUSLSA-N 1 0 375.296 2.436 20 0 GEADRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000484620642 650687836 /nfs/dbraw/zinc/68/78/36/650687836.db2.gz NSPKHRGHAPZVSS-KGLIPLIRSA-N 1 0 391.331 2.253 20 0 GEADRO CS[C@@H]1CN([C@H](C(N)=O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484631639 650688108 /nfs/dbraw/zinc/68/81/08/650688108.db2.gz ZZFQGWVPDDIEGI-XHSDSOJGSA-N 1 0 398.370 2.487 20 0 GEADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000484647637 650688493 /nfs/dbraw/zinc/68/84/93/650688493.db2.gz KAGDVZJEPCSEDB-LSDHHAIUSA-N 1 0 392.315 2.006 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000528339151 650689041 /nfs/dbraw/zinc/68/90/41/650689041.db2.gz MXLRUWKIRSBMQL-LLVKDONJSA-N 1 0 382.404 2.214 20 0 GEADRO C[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)Oc1ccccc1Br ZINC000483982172 650683952 /nfs/dbraw/zinc/68/39/52/650683952.db2.gz OZZORLPLJISWGY-ZDUSSCGKSA-N 1 0 393.285 2.445 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000527998638 650684102 /nfs/dbraw/zinc/68/41/02/650684102.db2.gz BMUCDZZKVFWGET-MLGOLLRUSA-N 1 0 390.281 2.416 20 0 GEADRO CCOC[C@H](O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000484169536 650685721 /nfs/dbraw/zinc/68/57/21/650685721.db2.gz KSYLLVWCVCJUKO-TZMCWYRMSA-N 1 0 391.249 2.492 20 0 GEADRO [NH3+]CC1(NC(=O)Nc2cccc(F)c2I)CCOCC1 ZINC000528687160 650697886 /nfs/dbraw/zinc/69/78/86/650697886.db2.gz PDWUWJAFFGEXCQ-UHFFFAOYSA-N 1 0 393.200 2.060 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000484973746 650691630 /nfs/dbraw/zinc/69/16/30/650691630.db2.gz ZQQLVDXHUVWQFV-VBNZEHGJSA-N 1 0 394.313 2.310 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)c1Br ZINC000528692533 650698080 /nfs/dbraw/zinc/69/80/80/650698080.db2.gz PPQCFVGQCYZWAT-LBPRGKRZSA-N 1 0 381.274 2.215 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000528690283 650698141 /nfs/dbraw/zinc/69/81/41/650698141.db2.gz OGTBUMWPYJFQKB-VIFPVBQESA-N 1 0 398.179 2.458 20 0 GEADRO C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000485671794 650698449 /nfs/dbraw/zinc/69/84/49/650698449.db2.gz KIHMSEJMOLNWIR-GFCCVEGCSA-N 1 0 378.416 2.401 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1cc(F)c(Br)cc1F ZINC000528632981 650696789 /nfs/dbraw/zinc/69/67/89/650696789.db2.gz IARROFYAACSLHX-GHMZBOCLSA-N 1 0 379.245 2.071 20 0 GEADRO OC[C@@]1([NH2+]C[C@H](O)c2ccc(Br)cc2)COc2ccccc2C1 ZINC000528648525 650697230 /nfs/dbraw/zinc/69/72/30/650697230.db2.gz CKNJCADLVDQHDG-FUHWJXTLSA-N 1 0 378.266 2.438 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000485568797 650697335 /nfs/dbraw/zinc/69/73/35/650697335.db2.gz NOXWOGZZVYNJDP-INIZCTEOSA-N 1 0 381.929 2.167 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(Cl)cc1I ZINC000528683380 650697654 /nfs/dbraw/zinc/69/76/54/650697654.db2.gz IBHMLSDVMDTKCY-VIFPVBQESA-N 1 0 395.628 2.055 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1cc(Br)ccc1N1CCCC1 ZINC000528683895 650697735 /nfs/dbraw/zinc/69/77/35/650697735.db2.gz ROUNNLJMQGEIDE-CYBMUJFWSA-N 1 0 383.290 2.159 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000485689549 650699024 /nfs/dbraw/zinc/69/90/24/650699024.db2.gz 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382.302 2.400 20 0 GEADRO COc1ncc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1Br ZINC000529909935 650709240 /nfs/dbraw/zinc/70/92/40/650709240.db2.gz RBZMFRUGSPOHCL-UHFFFAOYSA-N 1 0 398.301 2.180 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000486269800 650710294 /nfs/dbraw/zinc/71/02/94/650710294.db2.gz NYYVPAXPARSCKF-ZDUSSCGKSA-N 1 0 397.317 2.419 20 0 GEADRO O=C(NC1(c2cccc(Br)c2)CCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000486654536 650717948 /nfs/dbraw/zinc/71/79/48/650717948.db2.gz RQJNLLIQFRJMOB-INIZCTEOSA-N 1 0 378.314 2.334 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)Nc1cccc(I)c1 ZINC000530231414 650719092 /nfs/dbraw/zinc/71/90/92/650719092.db2.gz YKCOQKVOKAMFPX-AWEZNQCLSA-N 1 0 387.265 2.160 20 0 GEADRO O=C(CN1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1 ZINC000530239699 650719391 /nfs/dbraw/zinc/71/93/91/650719391.db2.gz TZYXFXCUJREFRP-KRWDZBQOSA-N 1 0 396.329 2.478 20 0 GEADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000486807759 650722550 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C[C@H]1[C@H](NC(=O)N(CCO)Cc2cccc(Br)c2)CCC[N@@H+]1C ZINC000487555385 650735517 /nfs/dbraw/zinc/73/55/17/650735517.db2.gz GGMLOGRZYBMLID-XJKSGUPXSA-N 1 0 384.318 2.436 20 0 GEADRO C[N@H+](CCNC(=O)NCc1n[nH]cc1Br)Cc1ccc(F)cc1 ZINC000531137269 650735577 /nfs/dbraw/zinc/73/55/77/650735577.db2.gz NGZLEERUXCLDHO-UHFFFAOYSA-N 1 0 384.253 2.243 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000531722897 650743479 /nfs/dbraw/zinc/74/34/79/650743479.db2.gz MJDHIWGFTCIBOB-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO C[NH+](C)[C@]1(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)CCSC1 ZINC000531359495 650737222 /nfs/dbraw/zinc/73/72/22/650737222.db2.gz KPUHLIRSUKHDAI-KRWDZBQOSA-N 1 0 384.933 2.057 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000531393008 650738003 /nfs/dbraw/zinc/73/80/03/650738003.db2.gz JDSAJTWRBRFMPF-STQMWFEESA-N 1 0 385.917 2.376 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000531393007 650738087 /nfs/dbraw/zinc/73/80/87/650738087.db2.gz JDSAJTWRBRFMPF-QWHCGFSZSA-N 1 0 385.917 2.376 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000487819199 650738233 /nfs/dbraw/zinc/73/82/33/650738233.db2.gz PGHPRAIVGQLOID-CQSZACIVSA-N 1 0 383.290 2.171 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C ZINC000487844342 650738365 /nfs/dbraw/zinc/73/83/65/650738365.db2.gz VGSJIQXBGAZYQD-BXUZGUMPSA-N 1 0 383.290 2.170 20 0 GEADRO COCCSCCC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000487896079 650739210 /nfs/dbraw/zinc/73/92/10/650739210.db2.gz MUZXAQXHTDGKNU-UHFFFAOYSA-N 1 0 392.509 2.044 20 0 GEADRO C[N@H+](CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000487961445 650740059 /nfs/dbraw/zinc/74/00/59/650740059.db2.gz WIHRUNNWLUJDKT-OAHLLOKOSA-N 1 0 385.295 2.492 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CS(C)(=O)=O)CC1)CC(C)C ZINC000488138392 650741591 /nfs/dbraw/zinc/74/15/91/650741591.db2.gz WZMYCINHTCNRTI-QGZVFWFLSA-N 1 0 375.579 2.209 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000008076639 642348021 /nfs/dbraw/zinc/34/80/21/642348021.db2.gz NLPAOWKONCCPLO-UHFFFAOYSA-N 1 0 377.304 2.222 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000531722896 650743304 /nfs/dbraw/zinc/74/33/04/650743304.db2.gz MJDHIWGFTCIBOB-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532187138 650746149 /nfs/dbraw/zinc/74/61/49/650746149.db2.gz CWJLODKKVVRIGK-HNNXBMFYSA-N 1 0 380.535 2.490 20 0 GEADRO O=c1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)nc2ccc(Br)cn12 ZINC000532646708 650751700 /nfs/dbraw/zinc/75/17/00/650751700.db2.gz GIDDGWQCAGXJEZ-SWLSCSKDSA-N 1 0 378.270 2.458 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCN2CCSCC2)cc1 ZINC000532511191 650749015 /nfs/dbraw/zinc/74/90/15/650749015.db2.gz UQRNOVWSOPJHFA-INIZCTEOSA-N 1 0 385.599 2.417 20 0 GEADRO O=C(CCOc1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488802699 650750765 /nfs/dbraw/zinc/75/07/65/650750765.db2.gz XHGIKJHECQCUBB-HNNXBMFYSA-N 1 0 397.313 2.399 20 0 GEADRO COCCNC(=O)C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000025809052 642427809 /nfs/dbraw/zinc/42/78/09/642427809.db2.gz HXAFRHUHXDDBBZ-UHFFFAOYSA-N 1 0 385.302 2.303 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000489122288 650754847 /nfs/dbraw/zinc/75/48/47/650754847.db2.gz JRHPHNKWYQRYRZ-HZPDHXFCSA-N 1 0 386.901 2.422 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)COc2ccccc2Br)C[C@H](C)O1 ZINC000031671278 642489376 /nfs/dbraw/zinc/48/93/76/642489376.db2.gz ZTQZJVFXZCAIFC-OKILXGFUSA-N 1 0 385.302 2.443 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000031890226 642491773 /nfs/dbraw/zinc/49/17/73/642491773.db2.gz GJURIWCPAKCADO-CYBMUJFWSA-N 1 0 394.313 2.403 20 0 GEADRO Cn1c(=O)cc(C[NH2+]C2(c3cccc(Br)c3)CCC2)n(C)c1=O ZINC000532690921 650752273 /nfs/dbraw/zinc/75/22/73/650752273.db2.gz FHXRHLWVUBQSKP-UHFFFAOYSA-N 1 0 378.270 2.016 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)ccc1-n1cnnn1)c1ccsc1 ZINC000033047545 642501354 /nfs/dbraw/zinc/50/13/54/642501354.db2.gz YHKAWRBCGNCQQW-OAHLLOKOSA-N 1 0 376.873 2.410 20 0 GEADRO O=C(NCC[NH+]1CCCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000034675704 642505278 /nfs/dbraw/zinc/50/52/78/642505278.db2.gz HMKZGZUTTZUTPL-OAHLLOKOSA-N 1 0 380.286 2.014 20 0 GEADRO O=S(=O)(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000532770925 650753159 /nfs/dbraw/zinc/75/31/59/650753159.db2.gz PXUXUZNVENRJLR-INIZCTEOSA-N 1 0 386.926 2.317 20 0 GEADRO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[NH+]1CCCCC1 ZINC000040653158 642524118 /nfs/dbraw/zinc/52/41/18/642524118.db2.gz VIRZNXMZSBSXQR-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1Br ZINC000040446052 642524362 /nfs/dbraw/zinc/52/43/62/642524362.db2.gz YCSCCAFXORDFFZ-JTQLQIEISA-N 1 0 377.279 2.351 20 0 GEADRO C[C@@H](NC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000489910362 650765397 /nfs/dbraw/zinc/76/53/97/650765397.db2.gz XCVVZFIRPBIEFX-HIFRSBDPSA-N 1 0 385.339 2.150 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000041362848 642529572 /nfs/dbraw/zinc/52/95/72/642529572.db2.gz JZGKYMDLILMWOD-OAHLLOKOSA-N 1 0 398.345 2.360 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000041798650 642533475 /nfs/dbraw/zinc/53/34/75/642533475.db2.gz KHUCAZMIODFRHW-LLVKDONJSA-N 1 0 393.962 2.011 20 0 GEADRO Cc1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1I ZINC000533811502 650766482 /nfs/dbraw/zinc/76/64/82/650766482.db2.gz FSYNSBCEJBYQOV-UHFFFAOYSA-N 1 0 381.217 2.258 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](CC(C)C)[NH+](C)C ZINC000042208583 642545941 /nfs/dbraw/zinc/54/59/41/642545941.db2.gz DTLDBKMHZWWEEA-CABCVRRESA-N 1 0 390.981 2.270 20 0 GEADRO CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000489640838 650760562 /nfs/dbraw/zinc/76/05/62/650760562.db2.gz BXQYOYZTOHPTCJ-SFHVURJKSA-N 1 0 375.579 2.158 20 0 GEADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)CC[C@@H]1CCCCN1C(C)=O ZINC000489673236 650761146 /nfs/dbraw/zinc/76/11/46/650761146.db2.gz XGBSDTDRWQFAFM-SFHVURJKSA-N 1 0 375.579 2.161 20 0 GEADRO S=C(NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Nc1ccccc1Cl ZINC000044160055 642570149 /nfs/dbraw/zinc/57/01/49/642570149.db2.gz XZHXVHSZORJPMO-HNNXBMFYSA-N 1 0 382.961 2.281 20 0 GEADRO CCc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000533551473 650762244 /nfs/dbraw/zinc/76/22/44/650762244.db2.gz VSSALORDJDDFRV-SFHVURJKSA-N 1 0 380.535 2.226 20 0 GEADRO CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000045158028 642589403 /nfs/dbraw/zinc/58/94/03/642589403.db2.gz YOABHOFPPLFHES-ZDUSSCGKSA-N 1 0 382.302 2.260 20 0 GEADRO C[NH+](C)C1(CNC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CCC1 ZINC000490194237 650769889 /nfs/dbraw/zinc/76/98/89/650769889.db2.gz LYUNXYCHMCFFOS-CQSZACIVSA-N 1 0 388.281 2.405 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cccc(I)c3)[C@H]2C1 ZINC000490221628 650770128 /nfs/dbraw/zinc/77/01/28/650770128.db2.gz KWWYMPXVBNFTRJ-HIFRSBDPSA-N 1 0 384.261 2.386 20 0 GEADRO C[NH+](C)C1(CNC(=O)CNC(=O)c2ccc(Br)o2)CCCCC1 ZINC000046868506 642618333 /nfs/dbraw/zinc/61/83/33/642618333.db2.gz CZMBAIUZRXDICI-UHFFFAOYSA-N 1 0 386.290 2.153 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000048106123 642643881 /nfs/dbraw/zinc/64/38/81/642643881.db2.gz LGKFFFJDJHENCC-CABCVRRESA-N 1 0 387.571 2.138 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1cccc(C)c1I ZINC000048217911 642646966 /nfs/dbraw/zinc/64/69/66/642646966.db2.gz AWYPTPYYVYBDIB-UHFFFAOYSA-N 1 0 390.265 2.298 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(F)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000490102603 650768572 /nfs/dbraw/zinc/76/85/72/650768572.db2.gz FGHWGJALDGCETL-AWEZNQCLSA-N 1 0 390.908 2.450 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000049993043 642673816 /nfs/dbraw/zinc/67/38/16/642673816.db2.gz JLTQIBQHBHOODG-SJORKVTESA-N 1 0 380.330 2.258 20 0 GEADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000490521809 650775275 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CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000052594087 642722912 /nfs/dbraw/zinc/72/29/12/642722912.db2.gz SMZNFZUEQUUWLJ-HNNXBMFYSA-N 1 0 396.333 2.160 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000491013232 650782390 /nfs/dbraw/zinc/78/23/90/650782390.db2.gz ZCDFERYQACCZJK-ZBFHGGJFSA-N 1 0 382.302 2.356 20 0 GEADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000534755303 650780787 /nfs/dbraw/zinc/78/07/87/650780787.db2.gz ZMAFVCNOICOPFL-MLGOLLRUSA-N 1 0 384.274 2.494 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000054286582 642750305 /nfs/dbraw/zinc/75/03/05/642750305.db2.gz PTEALWPGPADKAP-LBPRGKRZSA-N 1 0 387.933 2.228 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2Br)C1 ZINC000054806080 642759746 /nfs/dbraw/zinc/75/97/46/642759746.db2.gz QZZLEULMRFRIAU-LBPRGKRZSA-N 1 0 383.290 2.125 20 0 GEADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000054815651 642760668 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CSc1cc(Br)ccc1C[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000535072005 650784475 /nfs/dbraw/zinc/78/44/75/650784475.db2.gz IJQZPMBDGSTIFT-GFCCVEGCSA-N 1 0 380.329 2.074 20 0 GEADRO Cc1ccc([C@@H](CNS(=O)(=O)c2ncn(C)c2Cl)[NH+]2CCCC2)cc1 ZINC000057925217 642820815 /nfs/dbraw/zinc/82/08/15/642820815.db2.gz VEAWRJQYUZEZEP-OAHLLOKOSA-N 1 0 382.917 2.497 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1Br ZINC000491285968 650785088 /nfs/dbraw/zinc/78/50/88/650785088.db2.gz VIYDTFUAAKPJJC-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO C[NH+]1CCC(NC(=S)NCCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000063150673 642853463 /nfs/dbraw/zinc/85/34/63/642853463.db2.gz VBTOQGPOHRFNPW-UHFFFAOYSA-N 1 0 375.464 2.461 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000063195441 642854573 /nfs/dbraw/zinc/85/45/73/642854573.db2.gz MZZMELIBYUWVLA-WFASDCNBSA-N 1 0 375.332 2.425 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000063784066 642863014 /nfs/dbraw/zinc/86/30/14/642863014.db2.gz QDVVUAYZSCNPTA-UHFFFAOYSA-N 1 0 387.933 2.181 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000492829816 650792091 /nfs/dbraw/zinc/79/20/91/650792091.db2.gz LMFOYKGXCPFVKM-HOTGVXAUSA-N 1 0 390.311 2.171 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000065663775 642884905 /nfs/dbraw/zinc/88/49/05/642884905.db2.gz KXBXQDZKCACWOX-NSHDSACASA-N 1 0 395.305 2.127 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000536004406 650794032 /nfs/dbraw/zinc/79/40/32/650794032.db2.gz VMPCPHVOEPTBPV-UHFFFAOYSA-N 1 0 383.290 2.115 20 0 GEADRO C[C@@H](C(=O)Nc1nccs1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000065953709 642892585 /nfs/dbraw/zinc/89/25/85/642892585.db2.gz JIPBUJGVYXMDLA-LBPRGKRZSA-N 1 0 380.436 2.057 20 0 GEADRO O=C(NCCc1cc(Cl)ccc1Br)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000493539808 650794559 /nfs/dbraw/zinc/79/45/59/650794559.db2.gz KXUDOABKFVXROH-OAHLLOKOSA-N 1 0 386.721 2.151 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000536040859 650794727 /nfs/dbraw/zinc/79/47/27/650794727.db2.gz YTKZISNTPOBHFK-VXGBXAGGSA-N 1 0 383.290 2.162 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000066127001 642898585 /nfs/dbraw/zinc/89/85/85/642898585.db2.gz KVKFQHHVOCLMNW-AWEZNQCLSA-N 1 0 387.571 2.383 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000066196952 642900846 /nfs/dbraw/zinc/90/08/46/642900846.db2.gz REBSTICZVICNKM-AWEZNQCLSA-N 1 0 398.349 2.406 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066223260 642901744 /nfs/dbraw/zinc/90/17/44/642901744.db2.gz ZKXNBPMUKCCBQW-AWEZNQCLSA-N 1 0 380.286 2.393 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000067044927 642960340 /nfs/dbraw/zinc/96/03/40/642960340.db2.gz UMLOOBHCRGNOHE-HOTGVXAUSA-N 1 0 381.929 2.408 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)([NH+](C)C)C1 ZINC000068116771 642987332 /nfs/dbraw/zinc/98/73/32/642987332.db2.gz OXQHGWCALSBJJT-YVEFUNNKSA-N 1 0 387.933 2.228 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)s1 ZINC000068346283 642990208 /nfs/dbraw/zinc/99/02/08/642990208.db2.gz LIUULDSUFILDMQ-CYBMUJFWSA-N 1 0 387.571 2.488 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1Br ZINC000068423312 642995406 /nfs/dbraw/zinc/99/54/06/642995406.db2.gz RKSZJRDIMHRRDO-LBPRGKRZSA-N 1 0 387.322 2.478 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1Br ZINC000068423314 642995697 /nfs/dbraw/zinc/99/56/97/642995697.db2.gz RKSZJRDIMHRRDO-GFCCVEGCSA-N 1 0 387.322 2.478 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1cccc(Br)c1 ZINC000536522829 650804315 /nfs/dbraw/zinc/80/43/15/650804315.db2.gz XVDQZJMZLDOPDM-HOCLYGCPSA-N 1 0 390.285 2.024 20 0 GEADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(Br)cc2)CN1 ZINC000536545233 650805460 /nfs/dbraw/zinc/80/54/60/650805460.db2.gz GDTCNDKQBCSSSU-QRTARXTBSA-N 1 0 397.313 2.179 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000069138199 643020995 /nfs/dbraw/zinc/02/09/95/643020995.db2.gz MTRXPUVVDGCQKO-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(I)c1 ZINC000069529403 643034006 /nfs/dbraw/zinc/03/40/06/643034006.db2.gz FAFHOFAKBIHXGI-CQSZACIVSA-N 1 0 388.249 2.132 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(I)cc1 ZINC000069531222 643034636 /nfs/dbraw/zinc/03/46/36/643034636.db2.gz GVWYSLJXSJSUHS-AWEZNQCLSA-N 1 0 388.249 2.132 20 0 GEADRO C[C@H](CNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000069534511 643035151 /nfs/dbraw/zinc/03/51/51/643035151.db2.gz LJSOSNKHFGYOQN-LLVKDONJSA-N 1 0 379.917 2.486 20 0 GEADRO CC(C)C(=O)N1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000069609351 643036695 /nfs/dbraw/zinc/03/66/95/643036695.db2.gz FFPSBDPSJDPRBU-INIZCTEOSA-N 1 0 399.329 2.379 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@]23CCC(=O)N2c2ccccc2S3)C[C@H]1[NH+](C)C ZINC000536815822 650808052 /nfs/dbraw/zinc/80/80/52/650808052.db2.gz PMDOYSXYHLUBRH-DDUZABMNSA-N 1 0 377.535 2.119 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856327 643041995 /nfs/dbraw/zinc/04/19/95/643041995.db2.gz MQHOMTHEDZOAPK-PBHICJAKSA-N 1 0 396.329 2.020 20 0 GEADRO C[C@H]1CCCN(CC(=O)Nc2ccccc2I)[C@@H]1C[NH3+] ZINC000070178018 643050189 /nfs/dbraw/zinc/05/01/89/643050189.db2.gz CRLLTQQYLGEFJP-SMDDNHRTSA-N 1 0 387.265 2.289 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000071144698 643058975 /nfs/dbraw/zinc/05/89/75/643058975.db2.gz FPNBKBQPZRBJRH-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO CCCN(CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000071331565 643060399 /nfs/dbraw/zinc/06/03/99/643060399.db2.gz GRCOQWPFOGIZGT-CQSZACIVSA-N 1 0 375.332 2.297 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000494535367 650810374 /nfs/dbraw/zinc/81/03/74/650810374.db2.gz AYYMLMINRPZXFY-WDEREUQCSA-N 1 0 383.290 2.413 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNc2cc(Br)cc(F)c2C(N)=O)CC1 ZINC000092828649 643073531 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GEADRO C[NH+](C)CCCN(C(=O)/C=C/c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000097042435 643094002 /nfs/dbraw/zinc/09/40/02/643094002.db2.gz GDBLGCABFOAHLO-NADMHLTPSA-N 1 0 384.929 2.321 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)c2nc3ncc(Br)cn3n2)([NH+](C)C)C1 ZINC000098036021 643100592 /nfs/dbraw/zinc/10/05/92/643100592.db2.gz KPAAUKJNGHTMFI-ZBEGNZNMSA-N 1 0 395.305 2.127 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000101544583 643106885 /nfs/dbraw/zinc/10/68/85/643106885.db2.gz NTBMWJDZEILJHT-GFCCVEGCSA-N 1 0 394.324 2.336 20 0 GEADRO O=S(=O)(NC1CC[NH+](CCc2ccncc2)CC1)c1ccc(Cl)nc1 ZINC000101578138 643111169 /nfs/dbraw/zinc/11/11/69/643111169.db2.gz WRRIGSLIUYDIAX-UHFFFAOYSA-N 1 0 380.901 2.115 20 0 GEADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000494874605 650818386 /nfs/dbraw/zinc/81/83/86/650818386.db2.gz QGAYBVJUPHYJCF-UONOGXRCSA-N 1 0 381.929 2.464 20 0 GEADRO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000101729529 643115442 /nfs/dbraw/zinc/11/54/42/643115442.db2.gz HQNPVVNZLFOYDE-WBVHZDCISA-N 1 0 399.329 2.288 20 0 GEADRO CC[N@H+](CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC1 ZINC000101957435 643119238 /nfs/dbraw/zinc/11/92/38/643119238.db2.gz PWLXXRWBSVVFOI-AWEZNQCLSA-N 1 0 394.313 2.403 20 0 GEADRO O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494737853 650815640 /nfs/dbraw/zinc/81/56/40/650815640.db2.gz SLLBCQRNWUOCGV-LSDHHAIUSA-N 1 0 389.323 2.387 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000494882609 650818465 /nfs/dbraw/zinc/81/84/65/650818465.db2.gz JOMBMNKNNWSUOQ-CYBMUJFWSA-N 1 0 388.331 2.473 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000103453791 643166421 /nfs/dbraw/zinc/16/64/21/643166421.db2.gz ZZQGJTLMJWWJER-UHFFFAOYSA-N 1 0 396.329 2.369 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000103449548 643166507 /nfs/dbraw/zinc/16/65/07/643166507.db2.gz UALJWEZHPXEQIL-UHFFFAOYSA-N 1 0 388.331 2.137 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000103448948 643166725 /nfs/dbraw/zinc/16/67/25/643166725.db2.gz PNBFGEHXCXFMJC-UHFFFAOYSA-N 1 0 396.329 2.384 20 0 GEADRO O=C([C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Br)cc1)N1CCOCC1 ZINC000103481800 643167870 /nfs/dbraw/zinc/16/78/70/643167870.db2.gz UXLJBXNSRIKGFA-IAGOWNOFSA-N 1 0 397.313 2.196 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000104242744 643180184 /nfs/dbraw/zinc/18/01/84/643180184.db2.gz KZLCBAZPUDGNRW-MRXNPFEDSA-N 1 0 381.929 2.408 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000104530259 643185108 /nfs/dbraw/zinc/18/51/08/643185108.db2.gz UPYKKXOLWFFNTD-UHFFFAOYSA-N 1 0 384.318 2.369 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000104556490 643185117 /nfs/dbraw/zinc/18/51/17/643185117.db2.gz YTTPXQDLVSWCNH-UHFFFAOYSA-N 1 0 395.301 2.489 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000104694503 643188566 /nfs/dbraw/zinc/18/85/66/643188566.db2.gz DFHNMXQEKZKSRL-QGZVFWFLSA-N 1 0 396.329 2.020 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCc1cc(F)cc(Br)c1 ZINC000105170978 643200268 /nfs/dbraw/zinc/20/02/68/643200268.db2.gz GOHZZARUTKDUMY-UHFFFAOYSA-N 1 0 376.270 2.308 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000105326380 643202785 /nfs/dbraw/zinc/20/27/85/643202785.db2.gz RBTKLTGQFLSSAV-GFCCVEGCSA-N 1 0 389.315 2.019 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2ccccc2Br)CC1 ZINC000105321332 643202893 /nfs/dbraw/zinc/20/28/93/643202893.db2.gz ITBCLOZPZUJPKV-OAHLLOKOSA-N 1 0 382.346 2.381 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000105547894 643208807 /nfs/dbraw/zinc/20/88/07/643208807.db2.gz KAEQFHXAKSUSMU-IYBDPMFKSA-N 1 0 389.587 2.246 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000106099892 643220616 /nfs/dbraw/zinc/22/06/16/643220616.db2.gz KYPARDQSYMCAHN-KFWWJZLASA-N 1 0 398.345 2.471 20 0 GEADRO CCOCC[NH+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000106104890 643221463 /nfs/dbraw/zinc/22/14/63/643221463.db2.gz FSFGFPYEQOOZHD-OAHLLOKOSA-N 1 0 377.312 2.387 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000106364206 643229320 /nfs/dbraw/zinc/22/93/20/643229320.db2.gz ZGJUVIHJZWUCMT-ZIAGYGMSSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCc1ccc(Br)cc1 ZINC000106584326 643235004 /nfs/dbraw/zinc/23/50/04/643235004.db2.gz VEZRKMOBZMMNKK-OAHLLOKOSA-N 1 0 397.361 2.269 20 0 GEADRO CC[C@@]1(O)CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000495202348 650823681 /nfs/dbraw/zinc/82/36/81/650823681.db2.gz NDUVSMDFDILOJP-QGZVFWFLSA-N 1 0 385.302 2.133 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2sccc2SC(F)F)C1 ZINC000107243612 643252397 /nfs/dbraw/zinc/25/23/97/643252397.db2.gz PAWUDDJFFBHKSJ-JTQLQIEISA-N 1 0 377.482 2.380 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)Nc1cccc(I)c1 ZINC000495437731 650825199 /nfs/dbraw/zinc/82/51/99/650825199.db2.gz CRMIJWQKLMONGP-NWDGAFQWSA-N 1 0 398.248 2.493 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000107357059 643254494 /nfs/dbraw/zinc/25/44/94/643254494.db2.gz LKDVSTNLHWXIFX-OAHLLOKOSA-N 1 0 396.329 2.397 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000107627583 643259089 /nfs/dbraw/zinc/25/90/89/643259089.db2.gz IQFTUTFVPFUYTI-INIZCTEOSA-N 1 0 396.329 2.478 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000107888993 643262740 /nfs/dbraw/zinc/26/27/40/643262740.db2.gz AMJVQMZIIYTBCE-CJNGLKHVSA-N 1 0 394.313 2.260 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000107893657 643263362 /nfs/dbraw/zinc/26/33/62/643263362.db2.gz YVPKLZLZGQUHDE-KBPBESRZSA-N 1 0 394.313 2.260 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)ccc1S(C)(=O)=O ZINC000537984623 650826357 /nfs/dbraw/zinc/82/63/57/650826357.db2.gz CAFNIXOYLAOCOS-NWANDNLSSA-N 1 0 389.539 2.105 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000108462183 643274450 /nfs/dbraw/zinc/27/44/50/643274450.db2.gz MCBRWULWYIJTLL-GFCCVEGCSA-N 1 0 379.917 2.345 20 0 GEADRO CS[C@@H]1CN(C(=O)CSCC(=O)Nc2ccc(F)cc2)C[C@H]1[NH+](C)C ZINC000495682931 650826799 /nfs/dbraw/zinc/82/67/99/650826799.db2.gz VEZDOGWLZKLYAX-HUUCEWRRSA-N 1 0 385.530 2.001 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000496061947 650827984 /nfs/dbraw/zinc/82/79/84/650827984.db2.gz WDOFKVSJDFPZNM-SJORKVTESA-N 1 0 380.330 2.306 20 0 GEADRO COCCC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000110249687 643309339 /nfs/dbraw/zinc/30/93/39/643309339.db2.gz BMDNGNYYIQFLTO-UHFFFAOYSA-N 1 0 391.331 2.182 20 0 GEADRO C[C@H](NC(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C(=O)N(C)C ZINC000538174831 650831698 /nfs/dbraw/zinc/83/16/98/650831698.db2.gz FUUKCVRAWWWBBQ-SJCJKPOMSA-N 1 0 396.329 2.473 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1Br ZINC000110648412 643315939 /nfs/dbraw/zinc/31/59/39/643315939.db2.gz PKPIGZZBXKQGRD-SNVBAGLBSA-N 1 0 377.304 2.206 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110648345 643315953 /nfs/dbraw/zinc/31/59/53/643315953.db2.gz HZIJRMRPEROMMY-SNVBAGLBSA-N 1 0 377.304 2.206 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C2(c3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000538174901 650831838 /nfs/dbraw/zinc/83/18/38/650831838.db2.gz HVGSOZMSYPFZJB-CKEIUWERSA-N 1 0 383.330 2.498 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc(Br)s1 ZINC000111810316 643347087 /nfs/dbraw/zinc/34/70/87/643347087.db2.gz HUOASRQZYBXASW-GFCCVEGCSA-N 1 0 390.347 2.463 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Br)ccc1F ZINC000111823840 643347132 /nfs/dbraw/zinc/34/71/32/643347132.db2.gz PFXIVDQHRNNWAP-AWEZNQCLSA-N 1 0 388.281 2.498 20 0 GEADRO CC(C)[C@H]([NH2+]CCOc1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000538260618 650833259 /nfs/dbraw/zinc/83/32/59/650833259.db2.gz HGMMRONHFKNMCK-INIZCTEOSA-N 1 0 385.302 2.301 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)c(Br)c1 ZINC000112550325 643365068 /nfs/dbraw/zinc/36/50/68/643365068.db2.gz GTFHWCDUGZSHTJ-NEPJUHHUSA-N 1 0 378.274 2.281 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000497325124 650834352 /nfs/dbraw/zinc/83/43/52/650834352.db2.gz XUTLSKZUTVZHTI-WBMJQRKESA-N 1 0 384.293 2.025 20 0 GEADRO C[NH+](C)CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000112916031 643377449 /nfs/dbraw/zinc/37/74/49/643377449.db2.gz QDQUNPJUIHMVAN-UHFFFAOYSA-N 1 0 393.962 2.013 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000113142404 643383695 /nfs/dbraw/zinc/38/36/95/643383695.db2.gz LAJIMZNXZYWSAA-UHFFFAOYSA-N 1 0 388.737 2.399 20 0 GEADRO CS[C@@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000538377935 650835565 /nfs/dbraw/zinc/83/55/65/650835565.db2.gz DGNVTFIAFLEUJY-BFHYXJOUSA-N 1 0 390.322 2.092 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)COc2ccc(I)cc2)C1 ZINC000113457270 643398432 /nfs/dbraw/zinc/39/84/32/643398432.db2.gz RFNLLLVRBXKSCE-LBPRGKRZSA-N 1 0 388.249 2.080 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000113514309 643399603 /nfs/dbraw/zinc/39/96/03/643399603.db2.gz NGXYGQQSXDNNRS-ZDUSSCGKSA-N 1 0 375.332 2.106 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114148068 643407537 /nfs/dbraw/zinc/40/75/37/643407537.db2.gz ZOSDTNDLUBPGGN-GHMZBOCLSA-N 1 0 388.331 2.039 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000497592828 650837304 /nfs/dbraw/zinc/83/73/04/650837304.db2.gz SWYTWWXDYJYSAM-UHFFFAOYSA-N 1 0 398.301 2.458 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000114400074 643417211 /nfs/dbraw/zinc/41/72/11/643417211.db2.gz FXZOHQCLDUWYJK-BBRMVZONSA-N 1 0 394.313 2.212 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000114399643 643417218 /nfs/dbraw/zinc/41/72/18/643417218.db2.gz LHGPKLRZWQUJKW-UONOGXRCSA-N 1 0 394.313 2.212 20 0 GEADRO CN(C)C(=O)C(C)(C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000114458496 643419314 /nfs/dbraw/zinc/41/93/14/643419314.db2.gz KXVSPFXLVDMJSK-LLVKDONJSA-N 1 0 393.709 2.299 20 0 GEADRO COc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1I ZINC000538912878 650838782 /nfs/dbraw/zinc/83/87/82/650838782.db2.gz GBLSLGLRBPKVHV-WDEREUQCSA-N 1 0 388.249 2.464 20 0 GEADRO C[C@]12CCC(=O)N1[C@@H](C(=O)NC1CC[NH+](Cc3ccsc3)CC1)CS2 ZINC000115117617 643430360 /nfs/dbraw/zinc/43/03/60/643430360.db2.gz LFOUQWZJIWAGKG-QAPCUYQASA-N 1 0 379.551 2.283 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(I)c[nH]2)C1 ZINC000115349864 643436314 /nfs/dbraw/zinc/43/63/14/643436314.db2.gz GHFSCAHIVRBZBJ-LLVKDONJSA-N 1 0 375.254 2.470 20 0 GEADRO C[N@H+](CCCO)C1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000115546604 643441135 /nfs/dbraw/zinc/44/11/35/643441135.db2.gz IKIGZWKSOMSBPZ-UHFFFAOYSA-N 1 0 399.289 2.371 20 0 GEADRO C[N@H+](CCCO)C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000115519825 643441259 /nfs/dbraw/zinc/44/12/59/643441259.db2.gz JBXYFHYUWPZPRY-UHFFFAOYSA-N 1 0 380.432 2.263 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000115586291 643442709 /nfs/dbraw/zinc/44/27/09/643442709.db2.gz APPKCGDBVPVCLR-GFCCVEGCSA-N 1 0 391.331 2.420 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000116372562 643461663 /nfs/dbraw/zinc/46/16/63/643461663.db2.gz QHIGVJOQRBZEQT-AWEZNQCLSA-N 1 0 375.560 2.029 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117762179 643498137 /nfs/dbraw/zinc/49/81/37/643498137.db2.gz QGGGLYRSXOCDGZ-NSHDSACASA-N 1 0 381.249 2.455 20 0 GEADRO CN(CCS(=O)(=O)c1ccc(Br)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841482 643523872 /nfs/dbraw/zinc/52/38/72/643523872.db2.gz HPGBQNJYQHXDSY-AWEZNQCLSA-N 1 0 389.359 2.496 20 0 GEADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccnc(SCC(F)(F)F)c3)[C@@H]2C1 ZINC000498054404 650846611 /nfs/dbraw/zinc/84/66/11/650846611.db2.gz KMXUKTHUCVDPRF-OLZOCXBDSA-N 1 0 375.416 2.281 20 0 GEADRO NC(=O)C1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCOCC1 ZINC000119519067 643554827 /nfs/dbraw/zinc/55/48/27/643554827.db2.gz HKVLZEGOCXREMK-UHFFFAOYSA-N 1 0 393.285 2.211 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+]([C@@H]2CCCCNC2=O)C1 ZINC000119538597 643555956 /nfs/dbraw/zinc/55/59/56/643555956.db2.gz BIPDFFALZOCSBW-TZMCWYRMSA-N 1 0 395.301 2.163 20 0 GEADRO O=C(Nc1cccnc1Br)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000119591858 643559344 /nfs/dbraw/zinc/55/93/44/643559344.db2.gz RSMQQLAKWVDNLC-CYBMUJFWSA-N 1 0 383.290 2.420 20 0 GEADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000119701164 643567042 /nfs/dbraw/zinc/56/70/42/643567042.db2.gz KQZPGCZVEPEDPY-UHFFFAOYSA-N 1 0 381.325 2.461 20 0 GEADRO CC(=O)N(C)C1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000119864017 643575930 /nfs/dbraw/zinc/57/59/30/643575930.db2.gz HFYPSQWMZZMSHR-MRXNPFEDSA-N 1 0 385.302 2.132 20 0 GEADRO [NH3+][C@H](CC(F)F)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000498192049 650850289 /nfs/dbraw/zinc/85/02/89/650850289.db2.gz KQWHMPYOYMGKIG-LLVKDONJSA-N 1 0 380.222 2.260 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000120135492 643594447 /nfs/dbraw/zinc/59/44/47/643594447.db2.gz LEXPDFZUPNQHNE-UHFFFAOYSA-N 1 0 394.273 2.093 20 0 GEADRO COC(=O)C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1cccc(Br)c1 ZINC000498212280 650851477 /nfs/dbraw/zinc/85/14/77/650851477.db2.gz NHTJUTWETRYABB-MNOVXSKESA-N 1 0 379.201 2.152 20 0 GEADRO [NH3+][C@H](CC(F)F)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000498211030 650851555 /nfs/dbraw/zinc/85/15/55/650851555.db2.gz COBWSTVTTDDVSL-WCBMZHEXSA-N 1 0 386.752 2.431 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000498447776 650856992 /nfs/dbraw/zinc/85/69/92/650856992.db2.gz QNPRVNZDEIDGFA-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO O=S(=O)(CC[C@@H]1CCCO1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000120433714 643606494 /nfs/dbraw/zinc/60/64/94/643606494.db2.gz CDWXPHFWPGLYEF-INIZCTEOSA-N 1 0 376.588 2.227 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000120480730 643610730 /nfs/dbraw/zinc/61/07/30/643610730.db2.gz CHIINSXAWAFBTJ-JQWIXIFHSA-N 1 0 386.265 2.468 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1nccn2cnnc12 ZINC000540035054 650857135 /nfs/dbraw/zinc/85/71/35/650857135.db2.gz DBUXOXNTWBYDPO-UHFFFAOYSA-N 1 0 375.274 2.455 20 0 GEADRO COCC[N@H+]1[C@H](C)CN([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1C ZINC000120616438 643620920 /nfs/dbraw/zinc/62/09/20/643620920.db2.gz CZFQEBQUBYFFQL-ZENOOKHLSA-N 1 0 384.318 2.017 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000539921408 650853821 /nfs/dbraw/zinc/85/38/21/650853821.db2.gz XILFSOKCAACDGB-DZGCQCFKSA-N 1 0 387.318 2.425 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000121782795 643639637 /nfs/dbraw/zinc/63/96/37/643639637.db2.gz PCUJMXWAIKECPD-UHFFFAOYSA-N 1 0 387.933 2.052 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccn2c(I)cnc12 ZINC000121809022 643641746 /nfs/dbraw/zinc/64/17/46/643641746.db2.gz BHKBEGWWEITLLC-PWSUYJOCSA-N 1 0 398.248 2.281 20 0 GEADRO C[NH+](C)CCCCNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000498362667 650855178 /nfs/dbraw/zinc/85/51/78/650855178.db2.gz JLOWJJCJTOASIX-UHFFFAOYSA-N 1 0 395.294 2.063 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000540165467 650858668 /nfs/dbraw/zinc/85/86/68/650858668.db2.gz SKVOBCUXTTYRIB-TZMCWYRMSA-N 1 0 390.299 2.066 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cn(C)c(Cl)n1 ZINC000124504134 643687334 /nfs/dbraw/zinc/68/73/34/643687334.db2.gz SYKDPEZRRTUWFQ-ZFWWWQNUSA-N 1 0 382.917 2.262 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000124822548 643691156 /nfs/dbraw/zinc/69/11/56/643691156.db2.gz JGGMCXZXYNHDJH-KWQFWETISA-N 1 0 397.722 2.469 20 0 GEADRO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000540183582 650858988 /nfs/dbraw/zinc/85/89/88/650858988.db2.gz RPFINPKWBSRREG-LSDHHAIUSA-N 1 0 385.961 2.245 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000124882441 643692039 /nfs/dbraw/zinc/69/20/39/643692039.db2.gz PKAQRZUHYNTPGW-LBPRGKRZSA-N 1 0 384.249 2.127 20 0 GEADRO COC[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540193169 650859067 /nfs/dbraw/zinc/85/90/67/650859067.db2.gz ZYALJGCNANFRFO-HUUCEWRRSA-N 1 0 380.432 2.407 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000124978425 643696681 /nfs/dbraw/zinc/69/66/81/643696681.db2.gz WLIYSNSXKHZFTD-QWRGUYRKSA-N 1 0 375.288 2.200 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c(Cl)cc1Cl ZINC000125152380 643701200 /nfs/dbraw/zinc/70/12/00/643701200.db2.gz FDVHMDNIQBCULA-IUCAKERBSA-N 1 0 381.281 2.280 20 0 GEADRO Cn1cnc(CC[NH2+][C@H]2CCCOc3ccc(I)cc32)n1 ZINC000540219099 650860648 /nfs/dbraw/zinc/86/06/48/650860648.db2.gz FAISNYXYHHKUPV-ZDUSSCGKSA-N 1 0 398.248 2.466 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1Cl ZINC000126087982 643721209 /nfs/dbraw/zinc/72/12/09/643721209.db2.gz ZXCXEVDHOPSMBC-NSHDSACASA-N 1 0 376.906 2.381 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1Cl ZINC000126088270 643721273 /nfs/dbraw/zinc/72/12/73/643721273.db2.gz ZXCXEVDHOPSMBC-LLVKDONJSA-N 1 0 376.906 2.381 20 0 GEADRO CC[C@H](C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)[NH+](C)C ZINC000126341168 643729123 /nfs/dbraw/zinc/72/91/23/643729123.db2.gz ICQRYDOXDIUSCL-CQSZACIVSA-N 1 0 382.511 2.460 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc(Br)ccc1=O ZINC000126368498 643730237 /nfs/dbraw/zinc/73/02/37/643730237.db2.gz PVFUMTKLGSUCTK-HNNXBMFYSA-N 1 0 384.318 2.382 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000498650453 650861842 /nfs/dbraw/zinc/86/18/42/650861842.db2.gz ZLUQMEQKTNBNTH-STQMWFEESA-N 1 0 382.302 2.258 20 0 GEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cncc(Br)c1 ZINC000126562303 643735312 /nfs/dbraw/zinc/73/53/12/643735312.db2.gz QGROFSJLIKJNIX-UHFFFAOYSA-N 1 0 384.322 2.334 20 0 GEADRO CC(=O)N[C@H](CC(=O)NCC1=CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000540536433 650863614 /nfs/dbraw/zinc/86/36/14/650863614.db2.gz PWBDPQBRLAJHOX-QGZVFWFLSA-N 1 0 394.313 2.395 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000127035598 643756191 /nfs/dbraw/zinc/75/61/91/643756191.db2.gz SNQGEMDUVPOERU-ZETCQYMHSA-N 1 0 380.613 2.045 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000127129383 643758658 /nfs/dbraw/zinc/75/86/58/643758658.db2.gz FVAZKDJKEOEZSA-LBPRGKRZSA-N 1 0 380.290 2.490 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000127251091 643766359 /nfs/dbraw/zinc/76/63/59/643766359.db2.gz DONSIMMVNVXKQF-TXEJJXNPSA-N 1 0 383.286 2.314 20 0 GEADRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)C1(C(=O)OC)CCC1 ZINC000498763072 650864903 /nfs/dbraw/zinc/86/49/03/650864903.db2.gz BDECWAHYOJFBCT-HNNXBMFYSA-N 1 0 388.555 2.355 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000127297432 643769348 /nfs/dbraw/zinc/76/93/48/643769348.db2.gz ZUNBEFLFSKUNLP-MRXNPFEDSA-N 1 0 385.961 2.439 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCOCC1 ZINC000127296245 643769629 /nfs/dbraw/zinc/76/96/29/643769629.db2.gz LYACAWFLSJEYRJ-CQSZACIVSA-N 1 0 390.311 2.437 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(Cl)s1 ZINC000127775795 643784437 /nfs/dbraw/zinc/78/44/37/643784437.db2.gz XUCCDJZNXISTBY-UHFFFAOYSA-N 1 0 397.913 2.050 20 0 GEADRO CC(C)C[C@H](NC(=O)c1nc(Cl)ccc1Cl)C(=O)NCC[NH+](C)C ZINC000127809712 643786422 /nfs/dbraw/zinc/78/64/22/643786422.db2.gz FGHOUPRXNWVPTD-LBPRGKRZSA-N 1 0 375.300 2.211 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000498858929 650867560 /nfs/dbraw/zinc/86/75/60/650867560.db2.gz VTRSGOKSONPKBA-UHFFFAOYSA-N 1 0 394.313 2.176 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2Cl)CCO1 ZINC000128622885 643807222 /nfs/dbraw/zinc/80/72/22/643807222.db2.gz APVJSJKHLNIVTD-ZANVPECISA-N 1 0 376.682 2.089 20 0 GEADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000128964902 643815976 /nfs/dbraw/zinc/81/59/76/643815976.db2.gz NLYXFHJVIOZWPK-VIFPVBQESA-N 1 0 398.120 2.194 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000128980611 643816862 /nfs/dbraw/zinc/81/68/62/643816862.db2.gz VTBDEKVATFSHFA-OKILXGFUSA-N 1 0 384.318 2.429 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000130953083 643857124 /nfs/dbraw/zinc/85/71/24/643857124.db2.gz PHUHSBRFMCPTCJ-HIFRSBDPSA-N 1 0 382.302 2.041 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000131000914 643858998 /nfs/dbraw/zinc/85/89/98/643858998.db2.gz OZAZGUVUKZCAFE-GOEBONIOSA-N 1 0 397.313 2.134 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000131131139 643865391 /nfs/dbraw/zinc/86/53/91/643865391.db2.gz ZNJXPHWJFDRCLZ-CQSZACIVSA-N 1 0 383.290 2.301 20 0 GEADRO COC(=O)c1nn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1Br ZINC000131327379 643870775 /nfs/dbraw/zinc/87/07/75/643870775.db2.gz GZMDKDAAVDWBQT-ZDUSSCGKSA-N 1 0 385.306 2.116 20 0 GEADRO C[C@@H](CNC(=O)Cc1cc(Cl)ccc1Br)N1CC[NH+](C)CC1 ZINC000132969216 643890244 /nfs/dbraw/zinc/89/02/44/643890244.db2.gz VMDWHPUQQWCCDG-LBPRGKRZSA-N 1 0 388.737 2.397 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)C1 ZINC000133731447 643897564 /nfs/dbraw/zinc/89/75/64/643897564.db2.gz YRNYDGBXDFEJBR-KBPBESRZSA-N 1 0 394.313 2.321 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)C1 ZINC000133731217 643897641 /nfs/dbraw/zinc/89/76/41/643897641.db2.gz YRNYDGBXDFEJBR-KGLIPLIRSA-N 1 0 394.313 2.321 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccnc(Cl)c1I)C1CC1 ZINC000136981519 643920622 /nfs/dbraw/zinc/92/06/22/643920622.db2.gz BUDRCBMHTHPEFI-SNVBAGLBSA-N 1 0 393.656 2.410 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000153362534 643986373 /nfs/dbraw/zinc/98/63/73/643986373.db2.gz XHKXKNHMNLYPPB-BETUJISGSA-N 1 0 387.933 2.191 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000499389990 650882032 /nfs/dbraw/zinc/88/20/32/650882032.db2.gz IOPQQTQTPKGPFV-UHFFFAOYSA-N 1 0 382.555 2.108 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000153780425 644005373 /nfs/dbraw/zinc/00/53/73/644005373.db2.gz BLXQOJXANAZIHF-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1cncc(Br)c1)C(C)(C)C ZINC000154127775 644019441 /nfs/dbraw/zinc/01/94/41/644019441.db2.gz AXSHZNPELYOCNB-CYBMUJFWSA-N 1 0 385.306 2.265 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000154167716 644023407 /nfs/dbraw/zinc/02/34/07/644023407.db2.gz OOJZEBCKHFIIQJ-QWHCGFSZSA-N 1 0 385.917 2.076 20 0 GEADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc(Br)ccc1=O ZINC000154230355 644027507 /nfs/dbraw/zinc/02/75/07/644027507.db2.gz HTTLHZPJHGBPNI-OAHLLOKOSA-N 1 0 384.318 2.238 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000156386384 644093014 /nfs/dbraw/zinc/09/30/14/644093014.db2.gz HAZBWZVMPQHYKB-UHFFFAOYSA-N 1 0 391.331 2.233 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)CN1CCOCC1 ZINC000156829853 644119717 /nfs/dbraw/zinc/11/97/17/644119717.db2.gz IFTOVWRQGJZIJQ-KGLIPLIRSA-N 1 0 384.318 2.477 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+][C@@H](CCO)c2ccccc2Br)CC1 ZINC000542881880 650893227 /nfs/dbraw/zinc/89/32/27/650893227.db2.gz OIUCUGHJNOACBB-AWEZNQCLSA-N 1 0 376.316 2.287 20 0 GEADRO Cc1nccn1C[C@@H](C)CNC(=O)NNC(=O)c1ccccc1Br ZINC000157441291 644134890 /nfs/dbraw/zinc/13/48/90/644134890.db2.gz OHIQUZVXIDMANE-NSHDSACASA-N 1 0 394.273 2.234 20 0 GEADRO O=[N+]([O-])c1nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000157936278 644138659 /nfs/dbraw/zinc/13/86/59/644138659.db2.gz MPRAMDWEXVEVRB-RISCZKNCSA-N 1 0 384.278 2.460 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)COc1ccc(Br)cc1 ZINC000499894181 650894226 /nfs/dbraw/zinc/89/42/26/650894226.db2.gz LNZJWURYFMZMJD-INIZCTEOSA-N 1 0 385.302 2.397 20 0 GEADRO C[NH+](C)[C@@H]1Cc2ccccc2N(Cn2cc(I)cn2)C1 ZINC000158549084 644148856 /nfs/dbraw/zinc/14/88/56/644148856.db2.gz LAKHBSZIWSRZIL-CQSZACIVSA-N 1 0 382.249 2.438 20 0 GEADRO 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[NH3+]CCCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000181062611 644522984 /nfs/dbraw/zinc/52/29/84/644522984.db2.gz QFXOPDVJBWXRLZ-UHFFFAOYSA-N 1 0 378.274 2.376 20 0 GEADRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000181499321 644539226 /nfs/dbraw/zinc/53/92/26/644539226.db2.gz GISXBVCQMDBJFH-OAHLLOKOSA-N 1 0 387.571 2.139 20 0 GEADRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000544349527 650939642 /nfs/dbraw/zinc/93/96/42/650939642.db2.gz AMUMPLSAGIAPRX-HNNXBMFYSA-N 1 0 387.933 2.228 20 0 GEADRO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1I)C(C)C ZINC000544415321 650941888 /nfs/dbraw/zinc/94/18/88/650941888.db2.gz NXAZFGSMKHWECJ-CYBMUJFWSA-N 1 0 376.238 2.490 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000544672331 650949539 /nfs/dbraw/zinc/94/95/39/650949539.db2.gz ZCSORSNADYAVDJ-UHFFFAOYSA-N 1 0 399.376 2.456 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC1(O)CCC1 ZINC000544749686 650952233 /nfs/dbraw/zinc/95/22/33/650952233.db2.gz DCPSMHIWUSJNQH-LLVKDONJSA-N 1 0 388.249 2.465 20 0 GEADRO Cc1cc(SCC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)cc1Br ZINC000545153669 650962783 /nfs/dbraw/zinc/96/27/83/650962783.db2.gz QOHXROLMURIZKI-MRXNPFEDSA-N 1 0 387.343 2.341 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000545162416 650963195 /nfs/dbraw/zinc/96/31/95/650963195.db2.gz KSHHSOQSSFXLCZ-INIZCTEOSA-N 1 0 386.290 2.424 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cnc1Br ZINC000182726644 644969812 /nfs/dbraw/zinc/96/98/12/644969812.db2.gz CSKXBLAATAOBEV-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)C[S@](C)=O)CC1 ZINC000183077748 644978358 /nfs/dbraw/zinc/97/83/58/644978358.db2.gz OIRYKKSDVRKFBL-SHZVTRLKSA-N 1 0 386.949 2.370 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000183164027 644982590 /nfs/dbraw/zinc/98/25/90/644982590.db2.gz CUOKUMLUSVKKAK-LBPRGKRZSA-N 1 0 390.347 2.183 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000183176138 644983986 /nfs/dbraw/zinc/98/39/86/644983986.db2.gz AWRCGIZHVRKZBM-ZYHUDNBSSA-N 1 0 389.315 2.400 20 0 GEADRO COc1cc(C[NH2+][C@@H](C)C[S@@](C)=O)cc(I)c1OC ZINC000184261052 645013795 /nfs/dbraw/zinc/01/37/95/645013795.db2.gz QNZMQPRRCFQVLT-ZRNGKTOUSA-N 1 0 397.278 2.165 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)cnc1Cl ZINC000184313690 645016155 /nfs/dbraw/zinc/01/61/55/645016155.db2.gz CZAAUMLZDDSXNS-NSHDSACASA-N 1 0 389.725 2.253 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(Br)o3)C2)CC1 ZINC000545369261 650972313 /nfs/dbraw/zinc/97/23/13/650972313.db2.gz ALECKFBWZUWKSS-GFCCVEGCSA-N 1 0 377.304 2.395 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@]1(C)CO ZINC000545396450 650972923 /nfs/dbraw/zinc/97/29/23/650972923.db2.gz NTXTZIYZQJMLAL-QGZVFWFLSA-N 1 0 385.302 2.133 20 0 GEADRO CC[C@H](C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)[NH+](C)C ZINC000185414451 645044148 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CCN(CCC[NH+]1CCCC1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000188110834 645108262 /nfs/dbraw/zinc/10/82/62/645108262.db2.gz AVQNNOJLYNYURQ-UHFFFAOYSA-N 1 0 393.962 2.014 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1Br ZINC000188537030 645116778 /nfs/dbraw/zinc/11/67/78/645116778.db2.gz GXXZGSPIHMROEM-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188790815 645125661 /nfs/dbraw/zinc/12/56/61/645125661.db2.gz OYYJXHGGJOGGIN-GOEBONIOSA-N 1 0 384.293 2.230 20 0 GEADRO O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188787044 645125735 /nfs/dbraw/zinc/12/57/35/645125735.db2.gz RLZAKHFUGVSHQJ-HOSYDEDBSA-N 1 0 380.773 2.149 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NNc1cc[nH+]cc1 ZINC000188836681 645127222 /nfs/dbraw/zinc/12/72/22/645127222.db2.gz NJIZCAALYHPCFR-UHFFFAOYSA-N 1 0 379.214 2.243 20 0 GEADRO CN1CC[C@@](O)(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000545853523 650981835 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O=C(NCC[NH+]1CCCC1)c1nc(Br)ccc1Br ZINC000191287314 645171875 /nfs/dbraw/zinc/17/18/75/645171875.db2.gz RMWIQMWDUISTGM-UHFFFAOYSA-N 1 0 377.080 2.432 20 0 GEADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)C1CCCCC1 ZINC000191885262 645184473 /nfs/dbraw/zinc/18/44/73/645184473.db2.gz CGHBYFLDFXJKIR-AWEZNQCLSA-N 1 0 382.452 2.234 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ncc(Br)s1 ZINC000192435306 645206313 /nfs/dbraw/zinc/20/63/13/645206313.db2.gz ULBRDQJZNPTVCX-RYUDHWBXSA-N 1 0 388.331 2.403 20 0 GEADRO C[C@@]([NH3+])(C(=O)NC[C@@H](O)COc1ccccc1Br)c1ccccc1 ZINC000192500565 645210186 /nfs/dbraw/zinc/21/01/86/645210186.db2.gz CKMGYMDRRVJVTE-KDOFPFPSSA-N 1 0 393.281 2.179 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192859117 645225988 /nfs/dbraw/zinc/22/59/88/645225988.db2.gz LRYWPQXUJWILOU-UHFFFAOYSA-N 1 0 394.313 2.478 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ncc1Br ZINC000192923144 645231005 /nfs/dbraw/zinc/23/10/05/645231005.db2.gz QYUGVCWBSXJPEM-AAEUAGOBSA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(Br)cn2)c1 ZINC000192939576 645233085 /nfs/dbraw/zinc/23/30/85/645233085.db2.gz GVVKAVSIFXFZBV-UHFFFAOYSA-N 1 0 391.269 2.161 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(I)cc1 ZINC000192942767 645233340 /nfs/dbraw/zinc/23/33/40/645233340.db2.gz ANYFDTVTUQNJET-UHFFFAOYSA-N 1 0 396.294 2.254 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000546103782 650991731 /nfs/dbraw/zinc/99/17/31/650991731.db2.gz CUNTXDPATGCLMU-HNNXBMFYSA-N 1 0 388.249 2.385 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000193256889 645256609 /nfs/dbraw/zinc/25/66/09/645256609.db2.gz GZZSOJBXRZFUKH-LSDHHAIUSA-N 1 0 388.917 2.318 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000546173179 650994300 /nfs/dbraw/zinc/99/43/00/650994300.db2.gz SUNFFRGCJITLLR-ABAIWWIYSA-N 1 0 389.315 2.172 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193276032 645259451 /nfs/dbraw/zinc/25/94/51/645259451.db2.gz PWTFHESLBVVQQS-UHFFFAOYSA-N 1 0 377.304 2.180 20 0 GEADRO NC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000193278494 645260440 /nfs/dbraw/zinc/26/04/40/645260440.db2.gz JGCLMQCJOKNKKI-OAHLLOKOSA-N 1 0 388.295 2.094 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000193286018 645261419 /nfs/dbraw/zinc/26/14/19/645261419.db2.gz OAKCKNCVOPGODV-ZJUUUORDSA-N 1 0 395.294 2.345 20 0 GEADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Br)C1 ZINC000193330627 645268225 /nfs/dbraw/zinc/26/82/25/645268225.db2.gz BNKMWOLTMPFUBP-VIFPVBQESA-N 1 0 397.722 2.484 20 0 GEADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc(Br)cn1)C2 ZINC000193408331 645270153 /nfs/dbraw/zinc/27/01/53/645270153.db2.gz SSKFTTINXGGURF-UONOGXRCSA-N 1 0 395.301 2.256 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000193414678 645270879 /nfs/dbraw/zinc/27/08/79/645270879.db2.gz VTSOFUHDWAVPEA-GXFFZTMASA-N 1 0 377.304 2.124 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c1F ZINC000193456268 645274930 /nfs/dbraw/zinc/27/49/30/645274930.db2.gz FBXLEDYBHOUJER-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(I)c(O)c1 ZINC000546211373 650996091 /nfs/dbraw/zinc/99/60/91/650996091.db2.gz HFUNYGMAAPVNDR-ZDUSSCGKSA-N 1 0 388.249 2.409 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)ncc1Br ZINC000193558755 645283795 /nfs/dbraw/zinc/28/37/95/645283795.db2.gz QHVCBBHGGAXRPQ-CYBMUJFWSA-N 1 0 397.317 2.185 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1Br ZINC000193558623 645284015 /nfs/dbraw/zinc/28/40/15/645284015.db2.gz KHWRCPZFMDQJJF-ZDUSSCGKSA-N 1 0 397.317 2.185 20 0 GEADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000193580900 645286793 /nfs/dbraw/zinc/28/67/93/645286793.db2.gz YYTCFEHBUIAXIT-BXUZGUMPSA-N 1 0 388.249 2.174 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ncccc1Br ZINC000193586859 645287332 /nfs/dbraw/zinc/28/73/32/645287332.db2.gz XJPVCLDWUOSFCG-CABCVRRESA-N 1 0 382.302 2.342 20 0 GEADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccoc1Br ZINC000193768746 645297291 /nfs/dbraw/zinc/29/72/91/645297291.db2.gz KGAOXENRSLGZDD-KGLIPLIRSA-N 1 0 379.254 2.407 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C)n2)[C@H](C)C1 ZINC000194242888 645318925 /nfs/dbraw/zinc/31/89/25/645318925.db2.gz XBCJBSGUYQYPEO-RISCZKNCSA-N 1 0 397.317 2.280 20 0 GEADRO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)nnn1-c1cccc(Br)c1 ZINC000194691959 645342579 /nfs/dbraw/zinc/34/25/79/645342579.db2.gz YOIWBQJZSBJUHB-AWEZNQCLSA-N 1 0 378.274 2.162 20 0 GEADRO [NH3+]C[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000194775392 645348265 /nfs/dbraw/zinc/34/82/65/645348265.db2.gz MUTNQKMSDJQDBH-LBPRGKRZSA-N 1 0 392.275 2.153 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000195340027 645372272 /nfs/dbraw/zinc/37/22/72/645372272.db2.gz CYTOMNOTQDPMTM-UHFFFAOYSA-N 1 0 388.331 2.041 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1cc(Cl)ccc1I ZINC000227875816 645394274 /nfs/dbraw/zinc/39/42/74/645394274.db2.gz WGWUJHHAVFPJGX-UHFFFAOYSA-N 1 0 396.656 2.253 20 0 GEADRO CO[C@H]1CCN(C(=O)c2ccc(F)cc2I)[C@H](C[NH3+])C1 ZINC000227833798 645394316 /nfs/dbraw/zinc/39/43/16/645394316.db2.gz UOHSFSJHHWYCSS-QWRGUYRKSA-N 1 0 392.212 2.009 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2ccc(F)cc2I)[C@H](C[NH3+])C1 ZINC000227833793 645394514 /nfs/dbraw/zinc/39/45/14/645394514.db2.gz UOHSFSJHHWYCSS-WDEREUQCSA-N 1 0 392.212 2.009 20 0 GEADRO C[NH+](C)CCOCCNC(=O)c1ccc(I)c(Cl)c1 ZINC000230183227 645397309 /nfs/dbraw/zinc/39/73/09/645397309.db2.gz SCSCNSBRRCGXJE-UHFFFAOYSA-N 1 0 396.656 2.253 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(I)c(O)c1)C[NH+]1CCCC1 ZINC000230889479 645400219 /nfs/dbraw/zinc/40/02/19/645400219.db2.gz JKQMOALPUORZGX-NSHDSACASA-N 1 0 388.249 2.459 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(I)c(O)c1 ZINC000230888790 645400304 /nfs/dbraw/zinc/40/03/04/645400304.db2.gz COYPMJVZGBKVRI-UHFFFAOYSA-N 1 0 376.238 2.457 20 0 GEADRO CC[NH+]1CCC(CNC(=O)c2ccc(I)c(O)c2)CC1 ZINC000230890375 645401304 /nfs/dbraw/zinc/40/13/04/645401304.db2.gz QJUBLSXZNCCWNZ-UHFFFAOYSA-N 1 0 388.249 2.459 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)c1ccc(I)c(O)c1 ZINC000230900338 645401852 /nfs/dbraw/zinc/40/18/52/645401852.db2.gz YUHKESWXDDSZTQ-UHFFFAOYSA-N 1 0 376.238 2.459 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc2ncc(I)n2c1 ZINC000236612675 645413724 /nfs/dbraw/zinc/41/37/24/645413724.db2.gz QIBSFCXWVVUCLT-LLVKDONJSA-N 1 0 386.237 2.042 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)s2)CC1 ZINC000236644824 645416040 /nfs/dbraw/zinc/41/60/40/645416040.db2.gz CJYPVDADYPBOQA-KGLIPLIRSA-N 1 0 385.555 2.121 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000236679801 645417730 /nfs/dbraw/zinc/41/77/30/645417730.db2.gz XHOWBOPPWJATFT-GFCCVEGCSA-N 1 0 387.933 2.228 20 0 GEADRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC000236851108 645419952 /nfs/dbraw/zinc/41/99/52/645419952.db2.gz NEXGZMJTXCLCQN-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])CC(C)C)ccc1Cl ZINC000236958580 645421112 /nfs/dbraw/zinc/42/11/12/645421112.db2.gz GNTKGYXVSRTDOF-AWEZNQCLSA-N 1 0 389.949 2.474 20 0 GEADRO CN(C(=O)Cc1csc(NC(=O)Cc2cccs2)n1)C1CC[NH2+]CC1 ZINC000237085358 645421830 /nfs/dbraw/zinc/42/18/30/645421830.db2.gz GMKHIIRHGOAZLD-UHFFFAOYSA-N 1 0 378.523 2.139 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000237140113 645424716 /nfs/dbraw/zinc/42/47/16/645424716.db2.gz ACLHWZUSSSQZGC-OCCSQVGLSA-N 1 0 382.302 2.041 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)CC1CC[NH2+]CC1 ZINC000237145234 645424843 /nfs/dbraw/zinc/42/48/43/645424843.db2.gz FHZHIQWKMBKYGL-UHFFFAOYSA-N 1 0 375.441 2.443 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000237172651 645425578 /nfs/dbraw/zinc/42/55/78/645425578.db2.gz VBBICZTZBPGFSE-NSHDSACASA-N 1 0 388.331 2.041 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c1 ZINC000237330602 645428324 /nfs/dbraw/zinc/42/83/24/645428324.db2.gz QUQATJPNORHNCH-UHFFFAOYSA-N 1 0 377.304 2.348 20 0 GEADRO C[NH2+]CC1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000237319997 645428362 /nfs/dbraw/zinc/42/83/62/645428362.db2.gz AOADEEUEPBBCJP-UHFFFAOYSA-N 1 0 397.317 2.419 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000237357379 645429084 /nfs/dbraw/zinc/42/90/84/645429084.db2.gz VUSGTTVZDIGVSN-UHFFFAOYSA-N 1 0 377.869 2.058 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000237388435 645429706 /nfs/dbraw/zinc/42/97/06/645429706.db2.gz OYAYXFCLEJEZQQ-ZDUSSCGKSA-N 1 0 387.933 2.229 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000237414366 645431157 /nfs/dbraw/zinc/43/11/57/645431157.db2.gz FYOGTLDTZWKYTA-LBPRGKRZSA-N 1 0 380.495 2.120 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CCC[NH2+]CC3)[nH]c(=O)c2c1C ZINC000237525386 645435407 /nfs/dbraw/zinc/43/54/07/645435407.db2.gz JAKLOUJWFFXLPD-LBPRGKRZSA-N 1 0 380.539 2.045 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CCC([NH3+])CC3)[nH]c(=O)c2c1C ZINC000237525281 645435431 /nfs/dbraw/zinc/43/54/31/645435431.db2.gz FQTDYFAYQNSOBB-NSHDSACASA-N 1 0 380.539 2.173 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000237525902 645436219 /nfs/dbraw/zinc/43/62/19/645436219.db2.gz NNCRDIDZOJIBEG-LLVKDONJSA-N 1 0 388.331 2.222 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000237594307 645437182 /nfs/dbraw/zinc/43/71/82/645437182.db2.gz NWWSXGFAKUFXMX-LLVKDONJSA-N 1 0 377.286 2.448 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000237641492 645438787 /nfs/dbraw/zinc/43/87/87/645438787.db2.gz CKAOMCZFTCTDAK-NWDGAFQWSA-N 1 0 387.933 2.239 20 0 GEADRO Cc1nc(CSc2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2)cs1 ZINC000237769072 645439915 /nfs/dbraw/zinc/43/99/15/645439915.db2.gz ZSVBNBSBOICAAH-UHFFFAOYSA-N 1 0 376.551 2.379 20 0 GEADRO [NH3+]CC1(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CCCC1 ZINC000237782777 645440524 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C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000265648415 645787110 /nfs/dbraw/zinc/78/71/10/645787110.db2.gz SXPRTILSGIMXQB-CQSZACIVSA-N 1 0 386.323 2.469 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)NCC(C)(C)c2cccc(Br)c2)CC1 ZINC000265952658 645813928 /nfs/dbraw/zinc/81/39/28/645813928.db2.gz NXAKSNPQOGQDMU-UHFFFAOYSA-N 1 0 398.345 2.483 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(Br)cn1 ZINC000266284294 645835547 /nfs/dbraw/zinc/83/55/47/645835547.db2.gz KGRSHYOTGXBWSC-CYBMUJFWSA-N 1 0 376.320 2.339 20 0 GEADRO C[NH+](C)[C@]1(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)CCSC1 ZINC000267029571 645875419 /nfs/dbraw/zinc/87/54/19/645875419.db2.gz ATCXYYZFIGIPIO-KRWDZBQOSA-N 1 0 384.571 2.105 20 0 GEADRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000267094792 645881332 /nfs/dbraw/zinc/88/13/32/645881332.db2.gz RHQPCQGZOJRWRM-CHWSQXEVSA-N 1 0 384.318 2.110 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000267237462 645891099 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CC(C)[NH+]1CCC(O)(CNC(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000268444518 645968972 /nfs/dbraw/zinc/96/89/72/645968972.db2.gz GXYYXPGMSPFRDK-UHFFFAOYSA-N 1 0 387.293 2.482 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000268510295 645971470 /nfs/dbraw/zinc/97/14/70/645971470.db2.gz UNCPSWHMSGSSHG-UHFFFAOYSA-N 1 0 387.311 2.028 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1Cl ZINC000548042510 651061949 /nfs/dbraw/zinc/06/19/49/651061949.db2.gz LRXDIOFWZSHULY-SNVBAGLBSA-N 1 0 377.869 2.200 20 0 GEADRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268854377 646000713 /nfs/dbraw/zinc/00/07/13/646000713.db2.gz DEYVXPCKQPHOJG-CYBMUJFWSA-N 1 0 376.469 2.444 20 0 GEADRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268854381 646000766 /nfs/dbraw/zinc/00/07/66/646000766.db2.gz DEYVXPCKQPHOJG-ZDUSSCGKSA-N 1 0 376.469 2.444 20 0 GEADRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1Cl ZINC000268877347 646002291 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CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000269194766 646021511 /nfs/dbraw/zinc/02/15/11/646021511.db2.gz ZSMLOFHKRNPLPK-CYBMUJFWSA-N 1 0 387.933 2.100 20 0 GEADRO C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000269199848 646022131 /nfs/dbraw/zinc/02/21/31/646022131.db2.gz KDHCAMLCFQELQZ-SMDDNHRTSA-N 1 0 387.933 2.226 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CCC[NH2+]C1 ZINC000269211556 646022707 /nfs/dbraw/zinc/02/27/07/646022707.db2.gz PKCYEUXJTVSCGJ-IHRRRGAJSA-N 1 0 394.313 2.306 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(F)ccc1Br ZINC000269352985 646029600 /nfs/dbraw/zinc/02/96/00/646029600.db2.gz LFPUEDIVMUXBID-GFCCVEGCSA-N 1 0 397.310 2.223 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c(Cl)cc1Cl ZINC000269373435 646031796 /nfs/dbraw/zinc/03/17/96/646031796.db2.gz UTROBGKKQKCIOX-JTQLQIEISA-N 1 0 395.308 2.495 20 0 GEADRO Cn1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc(Br)c1=O ZINC000269375158 646032332 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COCC[N@@H+]1CCCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000270256035 646097804 /nfs/dbraw/zinc/09/78/04/646097804.db2.gz HBWWINBVNFLXHP-HNNXBMFYSA-N 1 0 383.286 2.106 20 0 GEADRO COc1ccc(C(=O)N(CC[NH+](C)C)C(C)C)nc1I ZINC000270526267 646115967 /nfs/dbraw/zinc/11/59/67/646115967.db2.gz AJIBXUWXPZNWOA-UHFFFAOYSA-N 1 0 391.253 2.107 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000270534157 646117405 /nfs/dbraw/zinc/11/74/05/646117405.db2.gz BKJYPUWFNNOYHC-IAQYHMDHSA-N 1 0 380.286 2.295 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000270916880 646152532 /nfs/dbraw/zinc/15/25/32/646152532.db2.gz TYIQOXYSRLTZBC-GWCFXTLKSA-N 1 0 396.285 2.138 20 0 GEADRO C[N@H+](CC1CCS(=O)(=O)CC1)[C@H](CO)c1cccc(Br)c1 ZINC000270974023 646160403 /nfs/dbraw/zinc/16/04/03/646160403.db2.gz DHBORESITCKGJX-OAHLLOKOSA-N 1 0 376.316 2.239 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000271080378 646171214 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COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(Br)c1 ZINC000281529595 646778661 /nfs/dbraw/zinc/77/86/61/646778661.db2.gz QZKGCKZSSWXJPB-FZMZJTMJSA-N 1 0 389.315 2.172 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1Cl ZINC000281563210 646782850 /nfs/dbraw/zinc/78/28/50/646782850.db2.gz LTWPMICDSXIPQQ-AWEZNQCLSA-N 1 0 385.917 2.078 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)ncc1Br ZINC000281579070 646784743 /nfs/dbraw/zinc/78/47/43/646784743.db2.gz XYHAZENPCOUDKT-UHFFFAOYSA-N 1 0 383.290 2.035 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1Cl)CN1CC[NH+](C)CC1 ZINC000281656705 646786643 /nfs/dbraw/zinc/78/66/43/646786643.db2.gz NFMAZGYLVXKXSK-GFCCVEGCSA-N 1 0 380.341 2.155 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)NCc2sccc2Br)CC1(C)C ZINC000281906745 646802144 /nfs/dbraw/zinc/80/21/44/646802144.db2.gz QZZWFMYWHTXONV-UHFFFAOYSA-N 1 0 389.363 2.336 20 0 GEADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCC=C(Br)C2)cc1 ZINC000281952477 646805599 /nfs/dbraw/zinc/80/55/99/646805599.db2.gz KZSGFEHNRIVYFQ-UHFFFAOYSA-N 1 0 380.286 2.240 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCS1 ZINC000283643175 646825162 /nfs/dbraw/zinc/82/51/62/646825162.db2.gz YPJMPJNBKWTPTH-CABCVRRESA-N 1 0 381.567 2.355 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000283655211 646825887 /nfs/dbraw/zinc/82/58/87/646825887.db2.gz ZEEVODQZMWINOV-UHFFFAOYSA-N 1 0 388.331 2.070 20 0 GEADRO CC1(C)CC(NC(=O)C(=O)NCc2ccccc2Br)CC(C)(C)[NH2+]1 ZINC000283688819 646827575 /nfs/dbraw/zinc/82/75/75/646827575.db2.gz XDBPYOUDXAWEFD-UHFFFAOYSA-N 1 0 396.329 2.491 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000284046168 646830873 /nfs/dbraw/zinc/83/08/73/646830873.db2.gz SNZYUSMWKWXCHD-VXGBXAGGSA-N 1 0 388.331 2.116 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000284049079 646831357 /nfs/dbraw/zinc/83/13/57/646831357.db2.gz QLZGEKYHDKJVNZ-GFCCVEGCSA-N 1 0 394.313 2.369 20 0 GEADRO CC1(C)CC(NC(=O)C(=O)Nc2cccc(Br)n2)CC(C)(C)[NH2+]1 ZINC000284670771 646843461 /nfs/dbraw/zinc/84/34/61/646843461.db2.gz GIXAJHNUHLPGKJ-UHFFFAOYSA-N 1 0 383.290 2.208 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000284952105 646847370 /nfs/dbraw/zinc/84/73/70/646847370.db2.gz ZJLBLMMLZRSEJG-NXEZZACHSA-N 1 0 378.420 2.337 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)COc2ccc(Br)cc2C(C)=O)C1 ZINC000285118220 646848986 /nfs/dbraw/zinc/84/89/86/646848986.db2.gz PCUPYDSSELFUFW-CYBMUJFWSA-N 1 0 383.286 2.489 20 0 GEADRO CN(C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC000285592819 646857659 /nfs/dbraw/zinc/85/76/59/646857659.db2.gz LPKKKBHQFJILII-CQSZACIVSA-N 1 0 387.933 2.272 20 0 GEADRO Cc1c(Br)cc(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(=O)n1C ZINC000286308253 646869765 /nfs/dbraw/zinc/86/97/65/646869765.db2.gz SZMYEXGMFGUXMB-FUNVUKJBSA-N 1 0 382.302 2.153 20 0 GEADRO CN(c1ccc(S(N)(=O)=O)cc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286312737 646870245 /nfs/dbraw/zinc/87/02/45/646870245.db2.gz JCUPEGGIJBRTHB-FOSCPWQOSA-N 1 0 377.432 2.414 20 0 GEADRO O=c1cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)nc2ccc(Cl)cn12 ZINC000286540653 646872824 /nfs/dbraw/zinc/87/28/24/646872824.db2.gz OEHUPXMFLRWGOE-MFKMUULPSA-N 1 0 375.778 2.341 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)[NH+](C)C ZINC000287538282 646891950 /nfs/dbraw/zinc/89/19/50/646891950.db2.gz TUDBQUBVIXUMHC-ZETCQYMHSA-N 1 0 380.645 2.246 20 0 GEADRO CNC(=O)c1cccc(NC(=O)NC2(C[NH+](C)C)CCC2)c1Br ZINC000287563193 646894309 /nfs/dbraw/zinc/89/43/09/646894309.db2.gz XZQUQTOEYHWDGQ-UHFFFAOYSA-N 1 0 383.290 2.415 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000288328895 646912120 /nfs/dbraw/zinc/91/21/20/646912120.db2.gz JGRFRTRIGLGCOE-QWHCGFSZSA-N 1 0 377.539 2.381 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000289113605 646924541 /nfs/dbraw/zinc/92/45/41/646924541.db2.gz PZVJRMGGZBGGDP-IUODEOHRSA-N 1 0 380.286 2.473 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000289115775 646925333 /nfs/dbraw/zinc/92/53/33/646925333.db2.gz DBLKEFGXULUYQA-HDJSIYSDSA-N 1 0 396.329 2.450 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000292187088 647184936 /nfs/dbraw/zinc/18/49/36/647184936.db2.gz ZPDSRVKOGZAHAD-UWVGGRQHSA-N 1 0 376.404 2.186 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000292470105 647192061 /nfs/dbraw/zinc/19/20/61/647192061.db2.gz AZVHJNGFPOSAHF-CYBMUJFWSA-N 1 0 378.922 2.231 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cc(Br)cn(C)c2=O)CC[N@@H+](C2CCC2)C1 ZINC000292617915 647203270 /nfs/dbraw/zinc/20/32/70/647203270.db2.gz FVZWPMCZKNXXQQ-GFCCVEGCSA-N 1 0 397.317 2.486 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1Cl ZINC000292677575 647205174 /nfs/dbraw/zinc/20/51/74/647205174.db2.gz BOVKEWQEKPHNRH-KRWDZBQOSA-N 1 0 386.901 2.233 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1cccc(I)c1 ZINC000294247198 647221333 /nfs/dbraw/zinc/22/13/33/647221333.db2.gz XWCIIIOQQLRRLB-UHFFFAOYSA-N 1 0 384.221 2.302 20 0 GEADRO C[C@H](CNC(=O)CCc1cccc(F)c1Br)N1CC[NH+](C)CC1 ZINC000294887448 647226177 /nfs/dbraw/zinc/22/61/77/647226177.db2.gz FGSJUBPSOYIQFG-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000297954261 647267822 /nfs/dbraw/zinc/26/78/22/647267822.db2.gz UTRVVKBBWLUJOG-UHFFFAOYSA-N 1 0 396.329 2.350 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000299372288 647272513 /nfs/dbraw/zinc/27/25/13/647272513.db2.gz GRBXIFJUVGYHBL-AWEZNQCLSA-N 1 0 381.523 2.010 20 0 GEADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1nc(C)n(C)c1Br ZINC000319033737 647287741 /nfs/dbraw/zinc/28/77/41/647287741.db2.gz BSXXOPWOTQUQHV-UHFFFAOYSA-N 1 0 395.367 2.234 20 0 GEADRO OC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000321622692 647292947 /nfs/dbraw/zinc/29/29/47/647292947.db2.gz NDBIZSDSRGNJBI-SJORKVTESA-N 1 0 380.282 2.382 20 0 GEADRO O=C(Nc1ccc(Br)c2ccccc12)C(=O)N1CCC[NH2+]CC1 ZINC000322279906 647294859 /nfs/dbraw/zinc/29/48/59/647294859.db2.gz NMDOIXXRTKPLFE-UHFFFAOYSA-N 1 0 376.254 2.363 20 0 GEADRO [NH3+]CCCCc1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000322270211 647294974 /nfs/dbraw/zinc/29/49/74/647294974.db2.gz KDZRWEKAUFNPRP-UHFFFAOYSA-N 1 0 377.246 2.420 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2CSCCS2)cc(Cl)c1OCC(N)=O ZINC000322699761 647296214 /nfs/dbraw/zinc/29/62/14/647296214.db2.gz QFGUQXKROPOFRH-LLVKDONJSA-N 1 0 376.931 2.151 20 0 GEADRO COc1ccc(OC)c([C@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000323640036 647297847 /nfs/dbraw/zinc/29/78/47/647297847.db2.gz SJOMUVUMYPMWTL-OAHLLOKOSA-N 1 0 384.274 2.376 20 0 GEADRO CCn1cc(Br)cc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000323706350 647298513 /nfs/dbraw/zinc/29/85/13/647298513.db2.gz LUWDRNOMJCXRDX-UHFFFAOYSA-N 1 0 385.350 2.369 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000329029407 647315110 /nfs/dbraw/zinc/31/51/10/647315110.db2.gz ANVKPNSWVGCOCG-STQMWFEESA-N 1 0 386.901 2.359 20 0 GEADRO C[N@H+](CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1)[C@H]1CCSC1 ZINC000329132719 647319318 /nfs/dbraw/zinc/31/93/18/647319318.db2.gz PIRGUWXZOBSQIQ-GJZGRUSLSA-N 1 0 383.514 2.103 20 0 GEADRO CCn1nc(C)c(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)c1C ZINC000329637738 647321573 /nfs/dbraw/zinc/32/15/73/647321573.db2.gz VUXSEDOWQKTLIQ-UHFFFAOYSA-N 1 0 386.587 2.160 20 0 GEADRO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)[C@H]1CO ZINC000330541835 647344029 /nfs/dbraw/zinc/34/40/29/647344029.db2.gz ADMJVLFEHARGLA-RISCZKNCSA-N 1 0 388.249 2.323 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cncc(Br)c1)[NH+]1CCC(C)CC1 ZINC000330743059 647350099 /nfs/dbraw/zinc/35/00/99/647350099.db2.gz CJGMZUNMTNIXIZ-LBPRGKRZSA-N 1 0 376.320 2.243 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)c(OC)c2)C1 ZINC000330973166 647361399 /nfs/dbraw/zinc/36/13/99/647361399.db2.gz BZKNQHYBODCSRP-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000331147225 647368238 /nfs/dbraw/zinc/36/82/38/647368238.db2.gz ARSUSCWWXDBJLZ-CHWSQXEVSA-N 1 0 394.324 2.382 20 0 GEADRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H]1CO ZINC000331259155 647374172 /nfs/dbraw/zinc/37/41/72/647374172.db2.gz HJJSWKKSIYQDMN-DIOULYMOSA-N 1 0 376.266 2.421 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000331570214 647389488 /nfs/dbraw/zinc/38/94/88/647389488.db2.gz UWMDDPHMNBDKST-XHDPSFHLSA-N 1 0 378.416 2.389 20 0 GEADRO CS[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@@H]1[NH+](C)C ZINC000331652971 647395323 /nfs/dbraw/zinc/39/53/23/647395323.db2.gz VSCAIEQHMFHPIL-STQMWFEESA-N 1 0 383.315 2.443 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000331927382 647403526 /nfs/dbraw/zinc/40/35/26/647403526.db2.gz KPDZZEHLCXIHJP-CYBMUJFWSA-N 1 0 386.901 2.422 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000332067445 647409510 /nfs/dbraw/zinc/40/95/10/647409510.db2.gz UFQAZXQWZJRQCH-DGCLKSJQSA-N 1 0 398.276 2.388 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1Br ZINC000332073082 647410530 /nfs/dbraw/zinc/41/05/30/647410530.db2.gz XLTMWWNABWCFGQ-DGCLKSJQSA-N 1 0 398.276 2.388 20 0 GEADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)C[C@@H](C)O1 ZINC000332198586 647421760 /nfs/dbraw/zinc/42/17/60/647421760.db2.gz ZUMPBQIRSIYIOA-LALPHHSUSA-N 1 0 383.286 2.498 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2ccn(-c3ccccc3Cl)n2)C[C@@H]1[NH+](C)C ZINC000332209212 647422595 /nfs/dbraw/zinc/42/25/95/647422595.db2.gz UFUTZKHKWRBLDI-GJZGRUSLSA-N 1 0 379.917 3.035 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000332208344 647422609 /nfs/dbraw/zinc/42/26/09/647422609.db2.gz UAXVAWZDXIPKBJ-WDEREUQCSA-N 1 0 377.798 2.075 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CCCO1 ZINC000332230239 647425371 /nfs/dbraw/zinc/42/53/71/647425371.db2.gz OBXOOIASIUQMPD-SNVBAGLBSA-N 1 0 394.640 2.134 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1Br ZINC000332314083 647431525 /nfs/dbraw/zinc/43/15/25/647431525.db2.gz IHJNQGMYOUOEMI-GMXVVIOVSA-N 1 0 398.276 2.421 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332537364 647443019 /nfs/dbraw/zinc/44/30/19/647443019.db2.gz BKOOFSXKZOONFZ-MFKMUULPSA-N 1 0 384.249 2.046 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332546064 647444127 /nfs/dbraw/zinc/44/41/27/647444127.db2.gz GJHNEOYCPMTJCD-ZYHUDNBSSA-N 1 0 384.249 2.046 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000332545268 647444232 /nfs/dbraw/zinc/44/42/32/647444232.db2.gz MLFBHJYIZFTGTM-CYBMUJFWSA-N 1 0 398.305 2.026 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332548271 647444720 /nfs/dbraw/zinc/44/47/20/647444720.db2.gz HUIIKNMAUFBTGR-SKDRFNHKSA-N 1 0 386.677 2.251 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332560192 647445764 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COC(=O)[C@H]1CN(C(=O)NCc2cccc(C)c2Br)CC[N@H+](C)C1 ZINC000413472622 648065896 /nfs/dbraw/zinc/06/58/96/648065896.db2.gz KHIKHDZAALOTCT-CQSZACIVSA-N 1 0 398.301 2.004 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)[C@H](C)Cc2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413896888 648082220 /nfs/dbraw/zinc/08/22/20/648082220.db2.gz GVGXCGLOJGFWAT-UKRRQHHQSA-N 1 0 397.313 2.191 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC[N@H+](C)C1 ZINC000413915327 648085228 /nfs/dbraw/zinc/08/52/28/648085228.db2.gz HSQBMRKNTRQOPX-LBPRGKRZSA-N 1 0 394.269 2.107 20 0 GEADRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414278521 648089466 /nfs/dbraw/zinc/08/94/66/648089466.db2.gz XDUKFVARUYJCPX-GFCCVEGCSA-N 1 0 390.347 2.061 20 0 GEADRO C[C@H]1CCCCN1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414280546 648089792 /nfs/dbraw/zinc/08/97/92/648089792.db2.gz DFFRDPQCOVZDOD-LBPRGKRZSA-N 1 0 390.347 2.061 20 0 GEADRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414339020 648095992 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O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415588730 648107264 /nfs/dbraw/zinc/10/72/64/648107264.db2.gz YCHUMXVQJFGVJN-VIFPVBQESA-N 1 0 398.179 2.458 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415586380 648107412 /nfs/dbraw/zinc/10/74/12/648107412.db2.gz NEAPHHBKTYPFGH-SNVBAGLBSA-N 1 0 389.283 2.321 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000415587765 648107462 /nfs/dbraw/zinc/10/74/62/648107462.db2.gz OIDGJDDMDFEWFJ-HOSYDEDBSA-N 1 0 378.885 2.392 20 0 GEADRO COc1ccc(NC(=O)N2CC[NH2+][C@H](C)C2)c(I)c1 ZINC000415595277 648108660 /nfs/dbraw/zinc/10/86/60/648108660.db2.gz JZQXCKDDCIJQQF-SECBINFHSA-N 1 0 375.210 2.125 20 0 GEADRO COc1ccc(NC(=O)N2CC[NH2+][C@@H](C)C2)c(I)c1 ZINC000415595279 648108811 /nfs/dbraw/zinc/10/88/11/648108811.db2.gz JZQXCKDDCIJQQF-VIFPVBQESA-N 1 0 375.210 2.125 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000415626908 648111402 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COc1cc(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000416498124 648150194 /nfs/dbraw/zinc/15/01/94/648150194.db2.gz WNJXKNNIIVFZKR-LBPRGKRZSA-N 1 0 376.906 2.460 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416559307 648171490 /nfs/dbraw/zinc/17/14/90/648171490.db2.gz KPXMLJNAGMYDAG-UHFFFAOYSA-N 1 0 388.536 2.349 20 0 GEADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)cn1 ZINC000416657062 648203989 /nfs/dbraw/zinc/20/39/89/648203989.db2.gz CZTLANVZKVPLKH-UHFFFAOYSA-N 1 0 376.320 2.339 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000416820918 648213091 /nfs/dbraw/zinc/21/30/91/648213091.db2.gz CUQNMGPNFMSHQQ-OLZOCXBDSA-N 1 0 383.290 2.265 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000416861279 648214995 /nfs/dbraw/zinc/21/49/95/648214995.db2.gz KBBBZNXHTDXRBV-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(Br)c(F)c2)CC[N@H+](C)C1 ZINC000416869846 648215510 /nfs/dbraw/zinc/21/55/10/648215510.db2.gz VPGSSPKTCRKQKT-SNVBAGLBSA-N 1 0 388.237 2.157 20 0 GEADRO CO[C@@H]1CCN(C(=O)NCCc2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000416916936 648216478 /nfs/dbraw/zinc/21/64/78/648216478.db2.gz IQMPPCJROWRMLJ-GHMZBOCLSA-N 1 0 376.320 2.201 20 0 GEADRO COCC1(CNC(=O)NCCc2ccc(Br)s2)CC[NH2+]CC1 ZINC000416926730 648217317 /nfs/dbraw/zinc/21/73/17/648217317.db2.gz UXONIPYKAIWQEA-UHFFFAOYSA-N 1 0 390.347 2.369 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(C)ccc2Br)CC[N@H+](C)C1 ZINC000416962659 648219449 /nfs/dbraw/zinc/21/94/49/648219449.db2.gz QUDFJOXQHTVVQW-LBPRGKRZSA-N 1 0 384.274 2.326 20 0 GEADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])c1 ZINC000417135857 648225988 /nfs/dbraw/zinc/22/59/88/648225988.db2.gz HQGALEPUCURHPP-GXTWGEPZSA-N 1 0 386.290 2.105 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417178915 648229267 /nfs/dbraw/zinc/22/92/67/648229267.db2.gz NIOBYYIUGVMMIA-WDEREUQCSA-N 1 0 386.290 2.436 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417179937 648229288 /nfs/dbraw/zinc/22/92/88/648229288.db2.gz OBHMHJVLLVBSJV-GHMZBOCLSA-N 1 0 384.274 2.272 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000417190154 648230232 /nfs/dbraw/zinc/23/02/32/648230232.db2.gz ZQBPUOASKZSQNE-RNCFNFMXSA-N 1 0 384.274 2.318 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000417194911 648230734 /nfs/dbraw/zinc/23/07/34/648230734.db2.gz NKJZPLNZDZSPDI-IRXDYDNUSA-N 1 0 395.345 2.493 20 0 GEADRO C[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@@H]1C[NH3+] ZINC000417212477 648232825 /nfs/dbraw/zinc/23/28/25/648232825.db2.gz FMLHHMFEWJRGFV-NEPJUHHUSA-N 1 0 380.290 2.223 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)NCc1cn2cc(Br)ccc2n1 ZINC000417217789 648233393 /nfs/dbraw/zinc/23/33/93/648233393.db2.gz KSJQSJDVFDOBQV-UHFFFAOYSA-N 1 0 378.274 2.206 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CCO1 ZINC000417219881 648233643 /nfs/dbraw/zinc/23/36/43/648233643.db2.gz XBKJHEREWJYDHV-HNNXBMFYSA-N 1 0 382.302 2.240 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[NH2+]1 ZINC000417227041 648234858 /nfs/dbraw/zinc/23/48/58/648234858.db2.gz PSNNQFDBMDMQJO-FZMZJTMJSA-N 1 0 383.290 2.217 20 0 GEADRO C[C@@]1(CNC(=O)NCc2cn3cc(Br)ccc3n2)CCC[NH2+]C1 ZINC000417229269 648235008 /nfs/dbraw/zinc/23/50/08/648235008.db2.gz XJYQGGXWNBALIT-MRXNPFEDSA-N 1 0 380.290 2.286 20 0 GEADRO CN(C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC([NH3+])C1 ZINC000417258924 648236973 /nfs/dbraw/zinc/23/69/73/648236973.db2.gz FXQZHQSLPAHJTO-YGONEPDPSA-N 1 0 381.318 2.407 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000417258901 648237053 /nfs/dbraw/zinc/23/70/53/648237053.db2.gz FUWZRAXPUGANAL-MLGOLLRUSA-N 1 0 381.318 2.312 20 0 GEADRO CO[C@H]1CCN(C(=O)NCCc2cc(Br)ccc2F)[C@@H](C[NH3+])C1 ZINC000417295508 648237708 /nfs/dbraw/zinc/23/77/08/648237708.db2.gz KJSZUFPUOUIRFP-KGLIPLIRSA-N 1 0 388.281 2.278 20 0 GEADRO CO[C@@H]1CCN(C(=O)NCCc2cc(Br)ccc2F)[C@H](C[NH3+])C1 ZINC000417295509 648237877 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Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417365934 648241111 /nfs/dbraw/zinc/24/11/11/648241111.db2.gz KBKSOHWHLGQPCW-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC1([NH3+])CCC1 ZINC000417371947 648241516 /nfs/dbraw/zinc/24/15/16/648241516.db2.gz XPSGDRSZONSPGA-UHFFFAOYSA-N 1 0 383.290 2.267 20 0 GEADRO O=C(N[C@H]1CCc2c1cccc2Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417449484 648247321 /nfs/dbraw/zinc/24/73/21/648247321.db2.gz BPYKQXRNPPFZSB-DYVFJYSZSA-N 1 0 393.329 2.126 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C(F)F ZINC000417478031 648248208 /nfs/dbraw/zinc/24/82/08/648248208.db2.gz HSONAPIDAROHPX-WCQYABFASA-N 1 0 391.260 2.310 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417483640 648249585 /nfs/dbraw/zinc/24/95/85/648249585.db2.gz JQZWKDFMOMROFV-CYBMUJFWSA-N 1 0 383.290 2.219 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417492288 648250384 /nfs/dbraw/zinc/25/03/84/648250384.db2.gz UWQVMUGTGCWIMD-XHDPSFHLSA-N 1 0 397.317 2.383 20 0 GEADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)N(CC[NH3+])CCO ZINC000417517208 648251200 /nfs/dbraw/zinc/25/12/00/648251200.db2.gz IQCXXGXTUSAFFD-QMTHXVAHSA-N 1 0 388.331 2.195 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417588544 648254129 /nfs/dbraw/zinc/25/41/29/648254129.db2.gz FMJBSWNKTGBFLN-LBPRGKRZSA-N 1 0 390.347 2.455 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417604281 648256008 /nfs/dbraw/zinc/25/60/08/648256008.db2.gz UJORIUFGZBYWMI-GUYCJALGSA-N 1 0 381.318 2.408 20 0 GEADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)NC[C@@H]1CCC[NH2+]C1 ZINC000417718814 648258439 /nfs/dbraw/zinc/25/84/39/648258439.db2.gz CASZXRXBLNXMIA-LLVKDONJSA-N 1 0 393.289 2.033 20 0 GEADRO CCC[NH2+]CCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417717706 648258529 /nfs/dbraw/zinc/25/85/29/648258529.db2.gz BFNVNABOCCCSTE-UHFFFAOYSA-N 1 0 381.278 2.033 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417721102 648259123 /nfs/dbraw/zinc/25/91/23/648259123.db2.gz FKPNYKPFDSGAAU-ZWNOBZJWSA-N 1 0 393.289 2.031 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417720682 648259269 /nfs/dbraw/zinc/25/92/69/648259269.db2.gz FFKPJPOGMDYCIZ-SNVBAGLBSA-N 1 0 381.278 2.031 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417729659 648259500 /nfs/dbraw/zinc/25/95/00/648259500.db2.gz NELJFXXZMOQAOA-PWSUYJOCSA-N 1 0 393.289 2.113 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417735687 648260335 /nfs/dbraw/zinc/26/03/35/648260335.db2.gz SKBBEDNJUVKJSC-CHWSQXEVSA-N 1 0 393.289 2.303 20 0 GEADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NCC[C@@H]1CC[NH2+]C1 ZINC000417735101 648260359 /nfs/dbraw/zinc/26/03/59/648260359.db2.gz KWPDHDNJVHMJSJ-JTQLQIEISA-N 1 0 380.798 2.431 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H]1C ZINC000417741678 648260827 /nfs/dbraw/zinc/26/08/27/648260827.db2.gz ZHZNAYFQVIJIBC-GHMZBOCLSA-N 1 0 393.289 2.126 20 0 GEADRO C[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)Oc1ccc(Br)cc1 ZINC000417777114 648262016 /nfs/dbraw/zinc/26/20/16/648262016.db2.gz QVUPRYGHFKTXMS-JOYOIKCWSA-N 1 0 380.233 2.498 20 0 GEADRO CC[NH2+]CCNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417870101 648263518 /nfs/dbraw/zinc/26/35/18/648263518.db2.gz IJLPVSKQVZQQKU-NSHDSACASA-N 1 0 379.814 2.241 20 0 GEADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)NC[C@@H]1C[NH2+]CCO1 ZINC000417873047 648264015 /nfs/dbraw/zinc/26/40/15/648264015.db2.gz KFJIRRWLFBIBQD-JTQLQIEISA-N 1 0 384.210 2.382 20 0 GEADRO [NH3+][C@@H](CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000417880903 648264127 /nfs/dbraw/zinc/26/41/27/648264127.db2.gz DGMYCLQFIQLNNK-KRWDZBQOSA-N 1 0 395.345 2.450 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000417885391 648264520 /nfs/dbraw/zinc/26/45/20/648264520.db2.gz IUPVRADUEXJPKX-HNNXBMFYSA-N 1 0 395.345 2.404 20 0 GEADRO Fc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c(I)c1 ZINC000417891918 648264890 /nfs/dbraw/zinc/26/48/90/648264890.db2.gz CKEUTTQXMVICFO-AWEZNQCLSA-N 1 0 390.240 2.383 20 0 GEADRO CC(C)([NH3+])CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417892043 648265045 /nfs/dbraw/zinc/26/50/45/648265045.db2.gz QEDVWIUTUZXCQC-UHFFFAOYSA-N 1 0 383.334 2.450 20 0 GEADRO C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417892355 648265237 /nfs/dbraw/zinc/26/52/37/648265237.db2.gz MATANDFRIVNKGD-JOYOIKCWSA-N 1 0 380.246 2.303 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417898226 648265692 /nfs/dbraw/zinc/26/56/92/648265692.db2.gz YWQVXTAGOIGUJH-CYBMUJFWSA-N 1 0 383.334 2.402 20 0 GEADRO COCC[N@@H+]1CC[C@H](NCc2ccc(F)cc2I)C1 ZINC000417932861 648266781 /nfs/dbraw/zinc/26/67/81/648266781.db2.gz RBGIVBVEZZFLSQ-ZDUSSCGKSA-N 1 0 378.229 2.241 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCOCc2ccc(Cl)cc2Cl)CCCO1 ZINC000417976482 648267773 /nfs/dbraw/zinc/26/77/73/648267773.db2.gz BCZMYDXDBCFHID-AWEZNQCLSA-N 1 0 376.284 2.269 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])C2=O)ccc1Br ZINC000418015526 648269931 /nfs/dbraw/zinc/26/99/31/648269931.db2.gz PWYLBKFMHZRPST-XUJVJEKNSA-N 1 0 397.317 2.288 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)N[C@@H](C)CC[NH3+])C2=O)ccc1Br ZINC000418016747 648270455 /nfs/dbraw/zinc/27/04/55/648270455.db2.gz RNNOIURDMAPMCL-WFASDCNBSA-N 1 0 397.317 2.289 20 0 GEADRO CC1(C)C[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)CO1 ZINC000418051918 648273602 /nfs/dbraw/zinc/27/36/02/648273602.db2.gz SWNUKZUJAADYTK-GFCCVEGCSA-N 1 0 391.331 2.275 20 0 GEADRO CC(C)[C@H](CC(F)(F)F)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418052978 648273724 /nfs/dbraw/zinc/27/37/24/648273724.db2.gz XZTPNBMTLXLQCK-QWRGUYRKSA-N 1 0 378.361 2.099 20 0 GEADRO O=C(NCc1cc(Br)ccc1Br)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418050534 648273780 /nfs/dbraw/zinc/27/37/80/648273780.db2.gz WKRYNPIIXNHCOO-IAZYJMLFSA-N 1 0 389.091 2.229 20 0 GEADRO CCn1c(CNC(=O)N2CCC[C@@H]2C[NH3+])nc2cc(Br)ccc21 ZINC000418065376 648274571 /nfs/dbraw/zinc/27/45/71/648274571.db2.gz LKTQKKDDBOECPZ-GFCCVEGCSA-N 1 0 380.290 2.451 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081722 648276036 /nfs/dbraw/zinc/27/60/36/648276036.db2.gz ORNZRRJTIXUOAD-JTNHKYCSSA-N 1 0 385.295 2.477 20 0 GEADRO CN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC[NH2+]CC1 ZINC000418101599 648279448 /nfs/dbraw/zinc/27/94/48/648279448.db2.gz QGXHCMXOLNKBMZ-CQSZACIVSA-N 1 0 381.318 2.421 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418102089 648280019 /nfs/dbraw/zinc/28/00/19/648280019.db2.gz RGXCBKVRIHLEJM-ZBFHGGJFSA-N 1 0 381.318 2.421 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418107311 648280430 /nfs/dbraw/zinc/28/04/30/648280430.db2.gz YZXPFQOPFHPUTL-IIAWOOMASA-N 1 0 393.329 2.279 20 0 GEADRO COc1cc(I)c(Cl)cc1CNC(=O)N(C)CC[NH3+] ZINC000418121531 648282894 /nfs/dbraw/zinc/28/28/94/648282894.db2.gz IWIZSMOWFMOYES-UHFFFAOYSA-N 1 0 397.644 2.053 20 0 GEADRO FC(F)CN1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000418133611 648284130 /nfs/dbraw/zinc/28/41/30/648284130.db2.gz KZRCJSYJCZIDMR-LLVKDONJSA-N 1 0 386.244 2.459 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(I)c(C)c1 ZINC000418135153 648284312 /nfs/dbraw/zinc/28/43/12/648284312.db2.gz ACISPPMFVFBHQS-SNVBAGLBSA-N 1 0 375.254 2.254 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1I ZINC000418142908 648284531 /nfs/dbraw/zinc/28/45/31/648284531.db2.gz NYUJYQVUEQVGND-ZIAGYGMSSA-N 1 0 399.276 2.351 20 0 GEADRO Cc1cc(CNC(=O)NC[C@H]2CCC[NH2+]C2)ccc1I ZINC000418142222 648284664 /nfs/dbraw/zinc/28/46/64/648284664.db2.gz MIZDHFKWEBZFFX-ZDUSSCGKSA-N 1 0 387.265 2.398 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1I ZINC000418143766 648284705 /nfs/dbraw/zinc/28/47/05/648284705.db2.gz QXXQNCUNQOCEAH-INIZCTEOSA-N 1 0 399.276 2.495 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(I)c(C)c2)C1 ZINC000418141838 648284708 /nfs/dbraw/zinc/28/47/08/648284708.db2.gz MBKHLFACANVZCP-ZDUSSCGKSA-N 1 0 387.265 2.493 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1I ZINC000418145615 648285042 /nfs/dbraw/zinc/28/50/42/648285042.db2.gz YKQSXLLRDVDWTL-RISCZKNCSA-N 1 0 387.265 2.478 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418147885 648285491 /nfs/dbraw/zinc/28/54/91/648285491.db2.gz BZVXMVHHNLGOGB-QMMMGPOBSA-N 1 0 381.645 2.481 20 0 GEADRO COCC[C@@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000418157501 648285573 /nfs/dbraw/zinc/28/55/73/648285573.db2.gz CBDMAIOJJMMELA-SWLSCSKDSA-N 1 0 376.284 2.440 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CCC[NH2+]1 ZINC000418160061 648285885 /nfs/dbraw/zinc/28/58/85/648285885.db2.gz DRHBMEPXELPNFM-RDJZCZTQSA-N 1 0 397.317 2.363 20 0 GEADRO CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418218293 648287489 /nfs/dbraw/zinc/28/74/89/648287489.db2.gz QOWVGZYZDNYDCE-DZGCQCFKSA-N 1 0 382.302 2.442 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000418202895 648287548 /nfs/dbraw/zinc/28/75/48/648287548.db2.gz NWMDROONEZUKQU-JCNLHEQBSA-N 1 0 395.345 2.290 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418226307 648288084 /nfs/dbraw/zinc/28/80/84/648288084.db2.gz AYUNZXWFTPTLPD-OAHLLOKOSA-N 1 0 387.933 2.335 20 0 GEADRO [NH3+]CCN(CCO)C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000418228125 648288232 /nfs/dbraw/zinc/28/82/32/648288232.db2.gz RMNLSYUYMKTWLJ-UHFFFAOYSA-N 1 0 390.709 2.097 20 0 GEADRO C[C@@H](NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418232138 648289102 /nfs/dbraw/zinc/28/91/02/648289102.db2.gz MBEIOXXTSIRMQI-ZIAGYGMSSA-N 1 0 387.933 2.191 20 0 GEADRO O=C(NC/C=C\c1ccc(Br)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000418239558 648289793 /nfs/dbraw/zinc/28/97/93/648289793.db2.gz BGSRUHATGQFLHN-NLVOMGJBSA-N 1 0 393.329 2.151 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)NCc1c(Br)cncc1Br ZINC000418243837 648290317 /nfs/dbraw/zinc/29/03/17/648290317.db2.gz WRULJNMCEVOPKN-MRVPVSSYSA-N 1 0 394.111 2.261 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000418288256 648290639 /nfs/dbraw/zinc/29/06/39/648290639.db2.gz MIEFYKBCMKCFME-INIZCTEOSA-N 1 0 395.345 2.243 20 0 GEADRO C[NH2+]CCCNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000418282193 648290815 /nfs/dbraw/zinc/29/08/15/648290815.db2.gz XDMOUSFMTSIAAI-UHFFFAOYSA-N 1 0 379.814 2.195 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418294040 648291203 /nfs/dbraw/zinc/29/12/03/648291203.db2.gz FUHUBENNUVFVGR-CQSZACIVSA-N 1 0 395.345 2.373 20 0 GEADRO CC[NH2+]CCNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418324788 648292856 /nfs/dbraw/zinc/29/28/56/648292856.db2.gz KQHUAVAMYWSGBG-UHFFFAOYSA-N 1 0 384.278 2.060 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418343868 648293811 /nfs/dbraw/zinc/29/38/11/648293811.db2.gz KFWNQMZZUHNVBO-XHDPSFHLSA-N 1 0 388.281 2.311 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418359355 648294513 /nfs/dbraw/zinc/29/45/13/648294513.db2.gz FFBORVMMIQXVHQ-CZUORRHYSA-N 1 0 381.318 2.199 20 0 GEADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418391761 648296109 /nfs/dbraw/zinc/29/61/09/648296109.db2.gz YXUYNZVAMPKYLL-LLVKDONJSA-N 1 0 376.320 2.421 20 0 GEADRO CCC[NH2+]CCNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418487394 648297849 /nfs/dbraw/zinc/29/78/49/648297849.db2.gz IFOBBVRWLRDGNV-ZDUSSCGKSA-N 1 0 390.297 2.038 20 0 GEADRO COCC[NH2+]CCNC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000418504889 648298831 /nfs/dbraw/zinc/29/88/31/648298831.db2.gz CRDWQXLMKUQBHW-UHFFFAOYSA-N 1 0 379.288 2.081 20 0 GEADRO CC1(CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000418512703 648299113 /nfs/dbraw/zinc/29/91/13/648299113.db2.gz FDHKELUXYXIGLF-GFCCVEGCSA-N 1 0 390.311 2.422 20 0 GEADRO C[C@H](C[NH3+])NC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000418510622 648299118 /nfs/dbraw/zinc/29/91/18/648299118.db2.gz IEYVDCYMBJIQRY-LLVKDONJSA-N 1 0 388.281 2.326 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000418506900 648299238 /nfs/dbraw/zinc/29/92/38/648299238.db2.gz JPMOXBSUOOPWIU-HNNXBMFYSA-N 1 0 394.274 2.451 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCC1 ZINC000418527971 648299904 /nfs/dbraw/zinc/29/99/04/648299904.db2.gz QPZKYYUYVZKRJC-UHFFFAOYSA-N 1 0 385.295 2.342 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NCC2=CC[NH2+]CC2)cc1Br ZINC000418543835 648300857 /nfs/dbraw/zinc/30/08/57/648300857.db2.gz SYZTXGVXGXJWPX-MRXNPFEDSA-N 1 0 396.329 2.127 20 0 GEADRO C[C@]1(CNC(=O)NC[C@@H](CO)Cc2ccccc2Br)CCC[NH2+]C1 ZINC000418541646 648300955 /nfs/dbraw/zinc/30/09/55/648300955.db2.gz NYDFODAJNHCIPP-KSSFIOAISA-N 1 0 398.345 2.289 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418544092 648300969 /nfs/dbraw/zinc/30/09/69/648300969.db2.gz CJCQBXNYQKQEHI-VXGBXAGGSA-N 1 0 376.284 2.174 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418551962 648301354 /nfs/dbraw/zinc/30/13/54/648301354.db2.gz QWGWXIHHCPBKAR-GFCCVEGCSA-N 1 0 385.306 2.443 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418561472 648301782 /nfs/dbraw/zinc/30/17/82/648301782.db2.gz FCYZYWBSCDLHFD-NSHDSACASA-N 1 0 383.290 2.156 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000418573699 648302425 /nfs/dbraw/zinc/30/24/25/648302425.db2.gz FRDVCGZBZKSSRV-XHSDSOJGSA-N 1 0 398.345 2.478 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418578515 648302834 /nfs/dbraw/zinc/30/28/34/648302834.db2.gz QAILFAPDNYYKAC-NQBHXWOUSA-N 1 0 376.284 2.030 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)COc1ncccc1Br ZINC000418587614 648303111 /nfs/dbraw/zinc/30/31/11/648303111.db2.gz GVDSIUXWFYVFPI-AAEUAGOBSA-N 1 0 385.306 2.299 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)C1 ZINC000418588148 648303118 /nfs/dbraw/zinc/30/31/18/648303118.db2.gz RQYBVUDPOWELAW-ZIAGYGMSSA-N 1 0 388.281 2.362 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000418589485 648303584 /nfs/dbraw/zinc/30/35/84/648303584.db2.gz IXDBZJGVNMYYAW-GFCCVEGCSA-N 1 0 387.311 2.459 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418589700 648303634 /nfs/dbraw/zinc/30/36/34/648303634.db2.gz IZEQURFMGKCYSV-RVSPLBMKSA-N 1 0 398.345 2.206 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000418597741 648304053 /nfs/dbraw/zinc/30/40/53/648304053.db2.gz YFQAKNCQWGVCFS-MNOVXSKESA-N 1 0 376.320 2.284 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418593271 648304102 /nfs/dbraw/zinc/30/41/02/648304102.db2.gz DUBMLWWWLJAQJQ-NOLJZWGESA-N 1 0 398.345 2.348 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418600622 648304359 /nfs/dbraw/zinc/30/43/59/648304359.db2.gz JZCOXZSXUGAPOM-HNNXBMFYSA-N 1 0 386.265 2.231 20 0 GEADRO C[C@H]1c2ccsc2CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418612337 648305195 /nfs/dbraw/zinc/30/51/95/648305195.db2.gz IRLUSHTWNJWYNF-SMDDNHRTSA-N 1 0 376.448 2.213 20 0 GEADRO [NH3+]C[C@H](NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)C1CCCC1 ZINC000418617356 648305291 /nfs/dbraw/zinc/30/52/91/648305291.db2.gz IIIUBVYHVRMWLJ-YOEHRIQHSA-N 1 0 398.345 2.417 20 0 GEADRO CCS[C@@H]1CC[C@@H](N(C)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418623937 648305628 /nfs/dbraw/zinc/30/56/28/648305628.db2.gz YFUCFHKSLXSOGD-MCIONIFRSA-N 1 0 382.496 2.138 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)N[C@H](CCO)c1ccccc1Br ZINC000418644254 648306569 /nfs/dbraw/zinc/30/65/69/648306569.db2.gz PYBXVLPDFPZVJT-MRXNPFEDSA-N 1 0 382.302 2.482 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418680807 648306980 /nfs/dbraw/zinc/30/69/80/648306980.db2.gz CMWSWAKFSWJIFF-AWEZNQCLSA-N 1 0 383.334 2.404 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418690508 648307286 /nfs/dbraw/zinc/30/72/86/648307286.db2.gz GZYYBVUVVOUVBK-IINYFYTJSA-N 1 0 376.270 2.438 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418748145 648309276 /nfs/dbraw/zinc/30/92/76/648309276.db2.gz KFILUQXHUIMUFR-BXKDBHETSA-N 1 0 398.237 2.030 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418753361 648309310 /nfs/dbraw/zinc/30/93/10/648309310.db2.gz VKEQQIORKKFKQV-IUODEOHRSA-N 1 0 388.281 2.453 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000418764216 648310577 /nfs/dbraw/zinc/31/05/77/648310577.db2.gz NQISKOHFOAHCIA-QGZVFWFLSA-N 1 0 395.345 2.274 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000418768780 648311391 /nfs/dbraw/zinc/31/13/91/648311391.db2.gz SMPUEMRAJVYXLF-CJNGLKHVSA-N 1 0 399.308 2.338 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000418773128 648311792 /nfs/dbraw/zinc/31/17/92/648311792.db2.gz XMGZZYHJUBNMTB-HOTGVXAUSA-N 1 0 381.318 2.199 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000418789923 648313066 /nfs/dbraw/zinc/31/30/66/648313066.db2.gz MFYPMCNHUWUDRN-CQSZACIVSA-N 1 0 390.311 2.266 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000418819615 648314036 /nfs/dbraw/zinc/31/40/36/648314036.db2.gz RAEKUTNRONVRKA-RKOGSIPDSA-N 1 0 384.307 2.470 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418822649 648314418 /nfs/dbraw/zinc/31/44/18/648314418.db2.gz WZQQDGDHJWBFJI-WFGGJUAMSA-N 1 0 382.291 2.033 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418827026 648314683 /nfs/dbraw/zinc/31/46/83/648314683.db2.gz LGJUSAFRJAMQRU-WXYCVUISSA-N 1 0 394.313 2.150 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418829835 648315121 /nfs/dbraw/zinc/31/51/21/648315121.db2.gz NTTIGHDQEMGOSH-IVMMDQJWSA-N 1 0 394.313 2.009 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@@H]1C[NH3+] ZINC000418832757 648315519 /nfs/dbraw/zinc/31/55/19/648315519.db2.gz QAZJVPLGXSUHHF-DDUYRFODSA-N 1 0 394.313 2.007 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418837385 648315701 /nfs/dbraw/zinc/31/57/01/648315701.db2.gz SRSUSJMXBVLYQD-OWCLPIDISA-N 1 0 394.313 2.022 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000418839947 648316230 /nfs/dbraw/zinc/31/62/30/648316230.db2.gz DIIFGXAEAHQFNM-XJKSGUPXSA-N 1 0 398.345 2.328 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2cccc(Br)c2)C1 ZINC000418846707 648316894 /nfs/dbraw/zinc/31/68/94/648316894.db2.gz SMZPMFIWNMRIHD-UMVBOHGHSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418846931 648316969 /nfs/dbraw/zinc/31/69/69/648316969.db2.gz UEIZPCVBSOZNOT-XJKCOSOUSA-N 1 0 396.329 2.225 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418846928 648316993 /nfs/dbraw/zinc/31/69/93/648316993.db2.gz UEIZPCVBSOZNOT-DVOMOZLQSA-N 1 0 396.329 2.225 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC000418849420 648317426 /nfs/dbraw/zinc/31/74/26/648317426.db2.gz ASMAFCAWSIBZTH-UKRRQHHQSA-N 1 0 386.323 2.402 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418855004 648318227 /nfs/dbraw/zinc/31/82/27/648318227.db2.gz UIZFOWHAUCLDKW-VHSXEESVSA-N 1 0 376.259 2.426 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418858235 648318544 /nfs/dbraw/zinc/31/85/44/648318544.db2.gz VJYGEIGMPUHCAC-IUODEOHRSA-N 1 0 382.302 2.007 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418858237 648318610 /nfs/dbraw/zinc/31/86/10/648318610.db2.gz VJYGEIGMPUHCAC-WFASDCNBSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc(Br)cn1 ZINC000418868444 648320036 /nfs/dbraw/zinc/32/00/36/648320036.db2.gz PSDALADFLCAUCP-XHDPSFHLSA-N 1 0 397.317 2.045 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000418874519 648320286 /nfs/dbraw/zinc/32/02/86/648320286.db2.gz ZWZKOZRSBLSJJU-YRGRVCCFSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000418874200 648320413 /nfs/dbraw/zinc/32/04/13/648320413.db2.gz ZGIAZDOZXBKSSW-ZOWXZIJZSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418891137 648321661 /nfs/dbraw/zinc/32/16/61/648321661.db2.gz LIELSVUXXMPKGB-RKOGSIPDSA-N 1 0 384.307 2.470 20 0 GEADRO O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418894635 648321707 /nfs/dbraw/zinc/32/17/07/648321707.db2.gz RTCJBTWTXCIBSA-JXFSHQFZSA-N 1 0 382.291 2.176 20 0 GEADRO CN(C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21)[C@@H]1CCC[NH2+]CC1 ZINC000418940857 648323413 /nfs/dbraw/zinc/32/34/13/648323413.db2.gz JMQMNPSVHSJICR-GDBMZVCRSA-N 1 0 394.313 2.153 20 0 GEADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418945605 648323737 /nfs/dbraw/zinc/32/37/37/648323737.db2.gz MYJCZWISMBONEC-HOTGVXAUSA-N 1 0 394.313 2.356 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418953374 648324868 /nfs/dbraw/zinc/32/48/68/648324868.db2.gz ZXVTZDZFOMCGGO-LRDDRELGSA-N 1 0 394.313 2.011 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418951295 648324903 /nfs/dbraw/zinc/32/49/03/648324903.db2.gz XBPKTFZWWSZXQF-HIFRSBDPSA-N 1 0 382.302 2.186 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418956774 648325250 /nfs/dbraw/zinc/32/52/50/648325250.db2.gz ZGCPWBDFFKYLMG-INIZCTEOSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccc(Cl)cc1Cl ZINC000418958319 648325592 /nfs/dbraw/zinc/32/55/92/648325592.db2.gz XGLABPTYHRVOMT-BFVZDQMLSA-N 1 0 388.295 2.400 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2ccc(Br)c(C)c2)CC1 ZINC000418983002 648326382 /nfs/dbraw/zinc/32/63/82/648326382.db2.gz BTRWQKREVZZLCE-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO Cc1cc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)ccc1Br ZINC000418992972 648326995 /nfs/dbraw/zinc/32/69/95/648326995.db2.gz ORPRRKUOATWDRS-UHFFFAOYSA-N 1 0 382.302 2.152 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419015320 648327173 /nfs/dbraw/zinc/32/71/73/648327173.db2.gz BNGUUCWOLSEHAR-UKRRQHHQSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419017578 648327593 /nfs/dbraw/zinc/32/75/93/648327593.db2.gz GJCBSUADXOTNHY-UHOFOFEASA-N 1 0 396.329 2.273 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419016504 648327670 /nfs/dbraw/zinc/32/76/70/648327670.db2.gz DMTHKBVNARFKRD-WOSRLPQWSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419029053 648328665 /nfs/dbraw/zinc/32/86/65/648328665.db2.gz XODRFAGETLGVOV-CZUORRHYSA-N 1 0 396.329 2.145 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000419046419 648329838 /nfs/dbraw/zinc/32/98/38/648329838.db2.gz YBILTELAROMCSR-JSGCOSHPSA-N 1 0 386.323 2.486 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000419048172 648330147 /nfs/dbraw/zinc/33/01/47/648330147.db2.gz UUFBBUHSNUWHEV-UHFFFAOYSA-N 1 0 380.901 2.114 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419054872 648330693 /nfs/dbraw/zinc/33/06/93/648330693.db2.gz MVDJHGHSTVZMAH-CYBMUJFWSA-N 1 0 396.329 2.274 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000419053449 648330770 /nfs/dbraw/zinc/33/07/70/648330770.db2.gz JZGCLOCFQHGAFY-SQWLQELKSA-N 1 0 396.329 2.130 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419055960 648331083 /nfs/dbraw/zinc/33/10/83/648331083.db2.gz POJXQENZVUFFIK-UHFFFAOYSA-N 1 0 390.709 2.352 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419057119 648331492 /nfs/dbraw/zinc/33/14/92/648331492.db2.gz TURVDCBZIKXGHP-CJNGLKHVSA-N 1 0 398.345 2.328 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000419057594 648331520 /nfs/dbraw/zinc/33/15/20/648331520.db2.gz UURHZXHZOBBQLJ-QWHCGFSZSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000419060240 648331879 /nfs/dbraw/zinc/33/18/79/648331879.db2.gz YUAHWTGOBQQRFC-XNRPHZJLSA-N 1 0 396.329 2.143 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)CC1 ZINC000419065855 648332128 /nfs/dbraw/zinc/33/21/28/648332128.db2.gz JEQDMIYVWGMBPN-UHFFFAOYSA-N 1 0 388.693 2.105 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000419066767 648332200 /nfs/dbraw/zinc/33/22/00/648332200.db2.gz KIQWZFJKCDUHIJ-UHFFFAOYSA-N 1 0 382.302 2.152 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000419066438 648332205 /nfs/dbraw/zinc/33/22/05/648332205.db2.gz JONKTUHCPCRZDI-HNNXBMFYSA-N 1 0 384.318 2.206 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419067700 648332247 /nfs/dbraw/zinc/33/22/47/648332247.db2.gz RXWUUUBFVJQJBO-HUUCEWRRSA-N 1 0 396.329 2.145 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419078696 648332913 /nfs/dbraw/zinc/33/29/13/648332913.db2.gz ZFSLYLWDWYSETA-STQMWFEESA-N 1 0 388.693 2.105 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419099185 648334195 /nfs/dbraw/zinc/33/41/95/648334195.db2.gz HWLNKKBGUWYCDX-NSHDSACASA-N 1 0 380.901 2.072 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419107408 648334690 /nfs/dbraw/zinc/33/46/90/648334690.db2.gz WUNQZARAGQJIGY-JRPNMDOOSA-N 1 0 382.291 2.450 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419121332 648334991 /nfs/dbraw/zinc/33/49/91/648334991.db2.gz DDQJPWCNTXTPCY-MLGOLLRUSA-N 1 0 377.897 2.414 20 0 GEADRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000419128070 648335789 /nfs/dbraw/zinc/33/57/89/648335789.db2.gz UWPFMCYIHGZGSD-MRXNPFEDSA-N 1 0 377.897 2.475 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000419134557 648336734 /nfs/dbraw/zinc/33/67/34/648336734.db2.gz KIACUECMRBNICL-YPMHNXCESA-N 1 0 388.295 2.135 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419135463 648336879 /nfs/dbraw/zinc/33/68/79/648336879.db2.gz MTKZOYFXLYWYDP-WCQYABFASA-N 1 0 388.295 2.122 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccccc1Br)C1CCCCC1 ZINC000419143416 648337119 /nfs/dbraw/zinc/33/71/19/648337119.db2.gz HZIRCIPSYQICGF-OAHLLOKOSA-N 1 0 382.302 2.089 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419154039 648337511 /nfs/dbraw/zinc/33/75/11/648337511.db2.gz QROMVHIWLDVLJC-XJKCOSOUSA-N 1 0 384.307 2.156 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000419153707 648337541 /nfs/dbraw/zinc/33/75/41/648337541.db2.gz PZPCOWWSPDXZBB-YUDUHTQSSA-N 1 0 394.313 2.212 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000419154381 648337579 /nfs/dbraw/zinc/33/75/79/648337579.db2.gz RMKVBYSTOCVAPY-CORIIIEPSA-N 1 0 382.302 2.260 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000419158062 648338509 /nfs/dbraw/zinc/33/85/09/648338509.db2.gz XHGMAZXESOQHIB-SWLSCSKDSA-N 1 0 384.318 2.458 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCc1csc(Br)c1 ZINC000419279793 648343799 /nfs/dbraw/zinc/34/37/99/648343799.db2.gz JNKPEBMFJZLRMI-LLVKDONJSA-N 1 0 388.331 2.021 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000419279848 648343906 /nfs/dbraw/zinc/34/39/06/648343906.db2.gz JTSZJRLFFAENDF-LBPRGKRZSA-N 1 0 386.323 2.499 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000419279846 648343932 /nfs/dbraw/zinc/34/39/32/648343932.db2.gz JTSZJRLFFAENDF-GFCCVEGCSA-N 1 0 386.323 2.499 20 0 GEADRO Cc1cc(NC(=O)CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1Br ZINC000419322253 648347063 /nfs/dbraw/zinc/34/70/63/648347063.db2.gz HGCYMXUWVRLZMJ-ZIAGYGMSSA-N 1 0 384.318 2.083 20 0 GEADRO C[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C[N@@H+]1CCO ZINC000419328443 648347795 /nfs/dbraw/zinc/34/77/95/648347795.db2.gz OUSIGXTXRFLKDD-OLZOCXBDSA-N 1 0 385.302 2.107 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1c(Cl)ccc(F)c1Cl ZINC000419333122 648348130 /nfs/dbraw/zinc/34/81/30/648348130.db2.gz IJDKZEYYTOMUFK-HBNTYKKESA-N 1 0 388.270 2.378 20 0 GEADRO Cc1ccc(NC(=O)CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000419339226 648348428 /nfs/dbraw/zinc/34/84/28/648348428.db2.gz LUCOIBURFNQBRO-KGLIPLIRSA-N 1 0 384.318 2.083 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](CC)Cc1cccc(Br)c1 ZINC000419358566 648349944 /nfs/dbraw/zinc/34/99/44/648349944.db2.gz JBBYORGOPJLZGX-ZIAGYGMSSA-N 1 0 398.345 2.248 20 0 GEADRO CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)Cc1cccc(Br)c1 ZINC000419360734 648349955 /nfs/dbraw/zinc/34/99/55/648349955.db2.gz MBRMQENLLRSKMG-KBPBESRZSA-N 1 0 398.345 2.106 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)Cc1cccc(Br)c1 ZINC000419358575 648349960 /nfs/dbraw/zinc/34/99/60/648349960.db2.gz JCSCPWNKCRKLFT-CYBMUJFWSA-N 1 0 396.329 2.132 20 0 GEADRO C[C@@H]1[C@H](C)C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)[C@H]1C ZINC000419381835 648351017 /nfs/dbraw/zinc/35/10/17/648351017.db2.gz YSPPYJJAMXPHFP-UPJWGTAASA-N 1 0 382.302 2.480 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419464409 648353388 /nfs/dbraw/zinc/35/33/88/648353388.db2.gz RCADUCUPJQZOLC-CYBMUJFWSA-N 1 0 396.329 2.231 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000419520585 648356190 /nfs/dbraw/zinc/35/61/90/648356190.db2.gz MSBHGLHDOGMIBK-UICACZKSSA-N 1 0 396.329 2.402 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419581465 648356639 /nfs/dbraw/zinc/35/66/39/648356639.db2.gz DDTFVEGGBXPKCE-AWEZNQCLSA-N 1 0 382.302 2.186 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CCCCC1 ZINC000419591388 648357329 /nfs/dbraw/zinc/35/73/29/648357329.db2.gz UGYSZPCECKYLPB-HNNXBMFYSA-N 1 0 394.313 2.330 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br)C1CCCC1 ZINC000419588831 648357374 /nfs/dbraw/zinc/35/73/74/648357374.db2.gz PGCAAUXUUQOUAV-HOTGVXAUSA-N 1 0 394.313 2.186 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)CCC[NH2+]C1 ZINC000419589632 648357499 /nfs/dbraw/zinc/35/74/99/648357499.db2.gz QNAOHLUNPIUUDH-CRAIPNDOSA-N 1 0 394.313 2.059 20 0 GEADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419643782 648358925 /nfs/dbraw/zinc/35/89/25/648358925.db2.gz XDYASWZXWZNKTH-ATZCPNFKSA-N 1 0 376.309 2.175 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)n1C ZINC000419697078 648366004 /nfs/dbraw/zinc/36/60/04/648366004.db2.gz QBTPRNGBJIJKJJ-CQSZACIVSA-N 1 0 381.318 2.189 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)s2)C1 ZINC000419710813 648369072 /nfs/dbraw/zinc/36/90/72/648369072.db2.gz OIQBOXUZEQLMPE-GHMZBOCLSA-N 1 0 388.331 2.146 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)n1C ZINC000419713090 648369623 /nfs/dbraw/zinc/36/96/23/648369623.db2.gz QGCQJUPPFHKEFW-GFCCVEGCSA-N 1 0 399.308 2.329 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000419729964 648372029 /nfs/dbraw/zinc/37/20/29/648372029.db2.gz PEHYVTFHYLVHCY-OPQQBVKSSA-N 1 0 386.279 2.129 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C1CC1 ZINC000419754138 648375221 /nfs/dbraw/zinc/37/52/21/648375221.db2.gz BLXUHFFQWBMMAH-LLVKDONJSA-N 1 0 396.221 2.065 20 0 GEADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419764040 648376419 /nfs/dbraw/zinc/37/64/19/648376419.db2.gz PWANIMGSFKYWFE-JTQLQIEISA-N 1 0 380.901 2.366 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000419763799 648376476 /nfs/dbraw/zinc/37/64/76/648376476.db2.gz FYLUNUZHGWHTKD-ZDUSSCGKSA-N 1 0 396.329 2.231 20 0 GEADRO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419781036 648378247 /nfs/dbraw/zinc/37/82/47/648378247.db2.gz PJEVLXNTIZHXJF-GJZGRUSLSA-N 1 0 398.276 2.024 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1cc(F)cc(Br)c1 ZINC000419778842 648378323 /nfs/dbraw/zinc/37/83/23/648378323.db2.gz MVUDHRWVCPKANN-KGLIPLIRSA-N 1 0 386.265 2.024 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000419804238 648380040 /nfs/dbraw/zinc/38/00/40/648380040.db2.gz CWARCGYPMZPHIS-CHWSQXEVSA-N 1 0 396.329 2.039 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419818192 648381734 /nfs/dbraw/zinc/38/17/34/648381734.db2.gz LFSGRIYIHUFYDX-CZUORRHYSA-N 1 0 398.345 2.328 20 0 GEADRO OC[C@@H]([NH2+]Cc1c(Br)cncc1Br)[C@H]1CCCOC1 ZINC000419819313 648381961 /nfs/dbraw/zinc/38/19/61/648381961.db2.gz NFDOHGTVIIDLHB-TVQRCGJNSA-N 1 0 394.107 2.484 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419834213 648383741 /nfs/dbraw/zinc/38/37/41/648383741.db2.gz WWENKYFZCZVEMV-OLZOCXBDSA-N 1 0 396.329 2.082 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419841658 648384269 /nfs/dbraw/zinc/38/42/69/648384269.db2.gz KNOYDVJSNLEFRA-INIZCTEOSA-N 1 0 394.313 2.056 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC2CC[NH2+]CC2)ccc1Br ZINC000419843027 648384340 /nfs/dbraw/zinc/38/43/40/648384340.db2.gz AAJXXWNJJCQJBT-INIZCTEOSA-N 1 0 394.313 2.289 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860205 648385936 /nfs/dbraw/zinc/38/59/36/648385936.db2.gz KQINFXQFQUPXJX-OAHLLOKOSA-N 1 0 382.302 2.040 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419903731 648387266 /nfs/dbraw/zinc/38/72/66/648387266.db2.gz WPDBUDJLKWWIJO-OAHLLOKOSA-N 1 0 382.302 2.054 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419911628 648388231 /nfs/dbraw/zinc/38/82/31/648388231.db2.gz KBMJGAMHHOQLJK-CHWSQXEVSA-N 1 0 394.313 2.011 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419923395 648388628 /nfs/dbraw/zinc/38/86/28/648388628.db2.gz GOLIJEBZIMAMIZ-AWEZNQCLSA-N 1 0 396.310 2.285 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419924224 648389104 /nfs/dbraw/zinc/38/91/04/648389104.db2.gz CCCDJUNZYAWMRW-CQSZACIVSA-N 1 0 396.329 2.304 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419928545 648389494 /nfs/dbraw/zinc/38/94/94/648389494.db2.gz LBPIBHDYWDHBRN-CYBMUJFWSA-N 1 0 396.310 2.285 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000419956466 648390970 /nfs/dbraw/zinc/39/09/70/648390970.db2.gz OHBYIAMDRSVWIG-LBPRGKRZSA-N 1 0 386.323 2.486 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000419986934 648393256 /nfs/dbraw/zinc/39/32/56/648393256.db2.gz WTVDVLDWCZJCTK-CZUORRHYSA-N 1 0 377.535 2.383 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000419987204 648393382 /nfs/dbraw/zinc/39/33/82/648393382.db2.gz GKUPRTDKJYDPAQ-CYBMUJFWSA-N 1 0 396.329 2.183 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419991629 648393728 /nfs/dbraw/zinc/39/37/28/648393728.db2.gz GZTWOHGJFUPYSU-XHDPSFHLSA-N 1 0 390.311 2.319 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420008799 648395575 /nfs/dbraw/zinc/39/55/75/648395575.db2.gz CAZKGMBBDBKINF-CMPLNLGQSA-N 1 0 388.331 2.103 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000420019259 648396506 /nfs/dbraw/zinc/39/65/06/648396506.db2.gz QTTTUVHXOSXHNJ-KRWDZBQOSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000420023717 648396977 /nfs/dbraw/zinc/39/69/77/648396977.db2.gz YEBVHMZBYKNZRT-MRXNPFEDSA-N 1 0 396.329 2.255 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420055029 648398276 /nfs/dbraw/zinc/39/82/76/648398276.db2.gz YPTXVWSDRZFVSZ-SWLSCSKDSA-N 1 0 382.302 2.041 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)C1CC1 ZINC000420055897 648398381 /nfs/dbraw/zinc/39/83/81/648398381.db2.gz GYWDENGMHWOACQ-INIZCTEOSA-N 1 0 381.929 2.277 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420056166 648398908 /nfs/dbraw/zinc/39/89/08/648398908.db2.gz BARCNQKQHXUKND-OAHLLOKOSA-N 1 0 382.302 2.041 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000420080755 648400241 /nfs/dbraw/zinc/40/02/41/648400241.db2.gz LMGWKROQHZJZBG-UHFFFAOYSA-N 1 0 376.320 2.103 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000420081285 648400271 /nfs/dbraw/zinc/40/02/71/648400271.db2.gz NACPWWFEYPONBJ-UHFFFAOYSA-N 1 0 388.281 2.180 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420085571 648400446 /nfs/dbraw/zinc/40/04/46/648400446.db2.gz NPEZIIDOGWYJKR-MRXNPFEDSA-N 1 0 396.329 2.350 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC([NH3+])(CC)CC ZINC000420096804 648401454 /nfs/dbraw/zinc/40/14/54/648401454.db2.gz KUPSVQUWMSDVNB-UHFFFAOYSA-N 1 0 384.318 2.431 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000420098041 648401687 /nfs/dbraw/zinc/40/16/87/648401687.db2.gz AKMKTMKDAOGSDQ-UHOFOFEASA-N 1 0 381.929 2.071 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CCC[NH2+]C1 ZINC000420118744 648402750 /nfs/dbraw/zinc/40/27/50/648402750.db2.gz KFMVCUYKMJKNTN-GOSISDBHSA-N 1 0 384.307 2.384 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000420145997 648405444 /nfs/dbraw/zinc/40/54/44/648405444.db2.gz POLFWWCQAALHIG-DZGCQCFKSA-N 1 0 397.317 2.141 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420153694 648406705 /nfs/dbraw/zinc/40/67/05/648406705.db2.gz BJKKQYWJVHCCEF-OAHLLOKOSA-N 1 0 396.329 2.302 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(c2ccc3cc(Br)ccc3n2)C1 ZINC000420172133 648407856 /nfs/dbraw/zinc/40/78/56/648407856.db2.gz OPJBDQVWCODHPB-ZDUSSCGKSA-N 1 0 377.286 2.289 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000420176283 648408239 /nfs/dbraw/zinc/40/82/39/648408239.db2.gz WLTLZZAIXFORFB-DGCLKSJQSA-N 1 0 388.295 2.087 20 0 GEADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420189256 648408730 /nfs/dbraw/zinc/40/87/30/648408730.db2.gz NXAITCJAULBJMN-DGCLKSJQSA-N 1 0 388.295 2.008 20 0 GEADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420206495 648409140 /nfs/dbraw/zinc/40/91/40/648409140.db2.gz KEUSTOZRFIPCPB-FPMFFAJLSA-N 1 0 384.307 2.456 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420205516 648409228 /nfs/dbraw/zinc/40/92/28/648409228.db2.gz PIZLIJPJVPLDAI-CJNGLKHVSA-N 1 0 396.329 2.430 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420210652 648409305 /nfs/dbraw/zinc/40/93/05/648409305.db2.gz SIKGGVXTRFQAKU-DOMZBBRYSA-N 1 0 382.302 2.041 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000420287845 648412749 /nfs/dbraw/zinc/41/27/49/648412749.db2.gz RQFICHCBAVDPKH-NEPJUHHUSA-N 1 0 378.274 2.319 20 0 GEADRO [NH3+]CCCN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000420319378 648412779 /nfs/dbraw/zinc/41/27/79/648412779.db2.gz PKEHEPQGXHJOGD-UHFFFAOYSA-N 1 0 385.839 2.014 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420348144 648413345 /nfs/dbraw/zinc/41/33/45/648413345.db2.gz JUHMYVHECNMWFT-DFBGVHRSSA-N 1 0 399.276 2.445 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)Nc1cccc(I)c1 ZINC000420355269 648414082 /nfs/dbraw/zinc/41/40/82/648414082.db2.gz BXOHKLAABLUCCB-ZETOZRRWSA-N 1 0 387.265 2.206 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)Nc1cccc(I)c1 ZINC000420355259 648414116 /nfs/dbraw/zinc/41/41/16/648414116.db2.gz BXOHKLAABLUCCB-HFAKWTLXSA-N 1 0 387.265 2.206 20 0 GEADRO O=S(=O)(CCN1CCC[C@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000420355147 648414144 /nfs/dbraw/zinc/41/41/44/648414144.db2.gz CAISLANYDXGTFC-MRXNPFEDSA-N 1 0 387.343 2.298 20 0 GEADRO O=S(=O)(CCN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420391750 648415816 /nfs/dbraw/zinc/41/58/16/648415816.db2.gz ZCIOEKZXPVNBLT-INIZCTEOSA-N 1 0 387.343 2.298 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420407335 648416046 /nfs/dbraw/zinc/41/60/46/648416046.db2.gz SBNVLQKDCPASIV-INIZCTEOSA-N 1 0 399.276 2.366 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1Cl ZINC000420441209 648416421 /nfs/dbraw/zinc/41/64/21/648416421.db2.gz XQSIGYJENMVHOM-ZANVPECISA-N 1 0 383.297 2.129 20 0 GEADRO CCOc1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1Br ZINC000420450424 648417656 /nfs/dbraw/zinc/41/76/56/648417656.db2.gz PKMAAWLAMYTDSH-UHFFFAOYSA-N 1 0 377.304 2.268 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420450822 648418166 /nfs/dbraw/zinc/41/81/66/648418166.db2.gz HMPQVYDAUGBQTN-WDEREUQCSA-N 1 0 377.304 2.172 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420471392 648419270 /nfs/dbraw/zinc/41/92/70/648419270.db2.gz AOITZAOERBIXII-QGZVFWFLSA-N 1 0 388.917 2.272 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CCCO1 ZINC000420470192 648419329 /nfs/dbraw/zinc/41/93/29/648419329.db2.gz LQFFPNWPQZWILL-OAHLLOKOSA-N 1 0 399.310 2.341 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000420473586 648420343 /nfs/dbraw/zinc/42/03/43/648420343.db2.gz DNVWEMOLDJUBBV-GXTWGEPZSA-N 1 0 382.917 2.440 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000420473104 648420368 /nfs/dbraw/zinc/42/03/68/648420368.db2.gz CVOBDVZWFPRNBP-WDEREUQCSA-N 1 0 377.304 2.063 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1Cl ZINC000420475157 648420769 /nfs/dbraw/zinc/42/07/69/648420769.db2.gz LTOVJDBENHTKRM-QMTHXVAHSA-N 1 0 397.324 2.437 20 0 GEADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000420743605 648447984 /nfs/dbraw/zinc/44/79/84/648447984.db2.gz KGWVAXQBXBNVTC-UHFFFAOYSA-N 1 0 388.555 2.021 20 0 GEADRO COc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1Br ZINC000420759436 648452374 /nfs/dbraw/zinc/45/23/74/648452374.db2.gz FBHMCADSGGPUMW-NSHDSACASA-N 1 0 377.304 2.172 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000420773713 648455354 /nfs/dbraw/zinc/45/53/54/648455354.db2.gz XJPWLCZEOYKOSM-LLVKDONJSA-N 1 0 377.869 2.152 20 0 GEADRO CN(C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[N@@H+]1C ZINC000421003323 648461817 /nfs/dbraw/zinc/46/18/17/648461817.db2.gz RWFYNZYTLDJDGA-CABCVRRESA-N 1 0 375.282 2.354 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421227235 648474477 /nfs/dbraw/zinc/47/44/77/648474477.db2.gz PYDJEZSMIQJXFL-DOMZBBRYSA-N 1 0 394.313 2.137 20 0 GEADRO COc1cc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)ccc1Br ZINC000421291817 648484162 /nfs/dbraw/zinc/48/41/62/648484162.db2.gz ZWCXHEXUCFQUKM-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421295317 648485155 /nfs/dbraw/zinc/48/51/55/648485155.db2.gz IBTHXIMUFBOBDO-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000421561036 648497300 /nfs/dbraw/zinc/49/73/00/648497300.db2.gz PTTPHIYWEBETKX-AWEZNQCLSA-N 1 0 396.329 2.364 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000421700081 648505014 /nfs/dbraw/zinc/50/50/14/648505014.db2.gz CZYYGZLRMLEIND-ZDUSSCGKSA-N 1 0 383.286 2.315 20 0 GEADRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000422083154 648520000 /nfs/dbraw/zinc/52/00/00/648520000.db2.gz HJILIYUZXMIWJY-NWDGAFQWSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422124609 648523747 /nfs/dbraw/zinc/52/37/47/648523747.db2.gz AKQWGHGLZSNFKX-BBRMVZONSA-N 1 0 396.329 2.049 20 0 GEADRO C[N@H+](CCCCNC(=O)C(=O)NCc1ccsc1Br)C1CC1 ZINC000422330201 648537064 /nfs/dbraw/zinc/53/70/64/648537064.db2.gz BGJRKMBOKCVINS-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2cccc(Br)c2)CC[N@@H+]1C ZINC000422481800 648550257 /nfs/dbraw/zinc/55/02/57/648550257.db2.gz XPCKELKQUNFJBA-BBRMVZONSA-N 1 0 396.329 2.049 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000422482779 648550926 /nfs/dbraw/zinc/55/09/26/648550926.db2.gz ZWTIHEBYGBVGCG-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@H]1CS[C@H](C)C1 ZINC000422510854 648553726 /nfs/dbraw/zinc/55/37/26/648553726.db2.gz RYOQIGSDOAODFS-CHWSQXEVSA-N 1 0 383.480 2.119 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000422515961 648554988 /nfs/dbraw/zinc/55/49/88/648554988.db2.gz IXRHENYTWYQTBP-DZGCQCFKSA-N 1 0 396.329 2.315 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000422517973 648555489 /nfs/dbraw/zinc/55/54/89/648555489.db2.gz NCGOXMXLWZVDCX-UHFFFAOYSA-N 1 0 396.329 2.318 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1Cl ZINC000422554608 648558794 /nfs/dbraw/zinc/55/87/94/648558794.db2.gz NAICFWMHHUYHNT-FOGDFJRCSA-N 1 0 391.896 2.431 20 0 GEADRO Cc1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])cc1I ZINC000422553991 648558821 /nfs/dbraw/zinc/55/88/21/648558821.db2.gz VTWJPELKTPXEJJ-UHFFFAOYSA-N 1 0 382.267 2.005 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422554628 648558839 /nfs/dbraw/zinc/55/88/39/648558839.db2.gz NGTCYHWNVCSYMN-UHFFFAOYSA-N 1 0 380.491 2.205 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422555898 648559153 /nfs/dbraw/zinc/55/91/53/648559153.db2.gz RHPNQXKMFVTXJE-UHFFFAOYSA-N 1 0 388.917 2.272 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1Cl ZINC000422555487 648559163 /nfs/dbraw/zinc/55/91/63/648559163.db2.gz QBGZIOLJGNVFMJ-TUAOUCFPSA-N 1 0 376.906 2.351 20 0 GEADRO Brc1ccc2nc(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000422737277 648574239 /nfs/dbraw/zinc/57/42/39/648574239.db2.gz ZMDHZVBQGAJUTA-ARFHVFGLSA-N 1 0 379.302 2.344 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422899060 648575909 /nfs/dbraw/zinc/57/59/09/648575909.db2.gz NMWZVULTOLMPRA-RRQGHBQHSA-N 1 0 396.329 2.159 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422929928 648577800 /nfs/dbraw/zinc/57/78/00/648577800.db2.gz AKPWCDIXTHBFAK-RRQGHBQHSA-N 1 0 396.329 2.159 20 0 GEADRO COc1cc(Br)c(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000422946277 648578322 /nfs/dbraw/zinc/57/83/22/648578322.db2.gz OROJOSZMSPBVFB-DLBZAZTESA-N 1 0 385.302 2.323 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422964207 648578927 /nfs/dbraw/zinc/57/89/27/648578927.db2.gz KSEJGPWIJDLSFW-MRXNPFEDSA-N 1 0 396.329 2.228 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422978572 648579756 /nfs/dbraw/zinc/57/97/56/648579756.db2.gz ZQIKUPHEPOSEKN-CJNGLKHVSA-N 1 0 396.329 2.226 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)CC1 ZINC000422988372 648579837 /nfs/dbraw/zinc/57/98/37/648579837.db2.gz IVHBEWBKWXVYMH-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422978573 648579921 /nfs/dbraw/zinc/57/99/21/648579921.db2.gz ZQIKUPHEPOSEKN-CZUORRHYSA-N 1 0 396.329 2.226 20 0 GEADRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422995833 648580367 /nfs/dbraw/zinc/58/03/67/648580367.db2.gz ZLEUCKHPHRLPCB-YOEHRIQHSA-N 1 0 398.345 2.142 20 0 GEADRO Cc1cc(S(=O)(=O)NCCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(C)s1 ZINC000422998338 648580391 /nfs/dbraw/zinc/58/03/91/648580391.db2.gz PVXUMJYUPRSRMS-PBHICJAKSA-N 1 0 381.567 2.191 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423114667 648581982 /nfs/dbraw/zinc/58/19/82/648581982.db2.gz ZUBGXBQWIPVQKC-HIFRSBDPSA-N 1 0 396.329 2.382 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423113502 648582099 /nfs/dbraw/zinc/58/20/99/648582099.db2.gz YIEGFOVZOWSGCN-SFHVURJKSA-N 1 0 396.329 2.383 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000423135041 648583810 /nfs/dbraw/zinc/58/38/10/648583810.db2.gz XTTOEDWSZSTMAD-OAHLLOKOSA-N 1 0 396.329 2.398 20 0 GEADRO CC(C)[C@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H](C)[NH3+] ZINC000423136340 648584126 /nfs/dbraw/zinc/58/41/26/648584126.db2.gz PDOQSUSVLSHJLW-HZMBPMFUSA-N 1 0 380.290 2.470 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000423172974 648586590 /nfs/dbraw/zinc/58/65/90/648586590.db2.gz WFWZQCVTPXLPHB-LBPRGKRZSA-N 1 0 390.347 2.301 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423172677 648586718 /nfs/dbraw/zinc/58/67/18/648586718.db2.gz URBZSOOLOVSMJR-NSHDSACASA-N 1 0 388.331 2.056 20 0 GEADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170276 648586752 /nfs/dbraw/zinc/58/67/52/648586752.db2.gz LMNPZGIAWXLIBF-SUYBPPKGSA-N 1 0 389.309 2.096 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)NCC2(c3ccccc3Br)CC2)nn1 ZINC000423230828 648587721 /nfs/dbraw/zinc/58/77/21/648587721.db2.gz KJKULZRHROAQDK-UHFFFAOYSA-N 1 0 392.301 2.241 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000423254453 648588402 /nfs/dbraw/zinc/58/84/02/648588402.db2.gz YCLSUJABJRXMGI-DOMZBBRYSA-N 1 0 385.302 2.083 20 0 GEADRO CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423300476 648589471 /nfs/dbraw/zinc/58/94/71/648589471.db2.gz RRKZFFYBEQMSIV-PWSUYJOCSA-N 1 0 378.336 2.265 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423288847 648589487 /nfs/dbraw/zinc/58/94/87/648589487.db2.gz VJBMJUWVHLTZCE-RISCZKNCSA-N 1 0 375.252 2.254 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000423379316 648590162 /nfs/dbraw/zinc/59/01/62/648590162.db2.gz NBPNKXAQDYEZLN-UHFFFAOYSA-N 1 0 396.329 2.007 20 0 GEADRO COC[C@]1(CN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCC[NH2+]1 ZINC000423419945 648590615 /nfs/dbraw/zinc/59/06/15/648590615.db2.gz WSAMLTDAXUZQIA-ZUZCIYMTSA-N 1 0 396.340 2.060 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423458264 648591240 /nfs/dbraw/zinc/59/12/40/648591240.db2.gz PQOBBXJFOZLMLC-DZGCQCFKSA-N 1 0 396.329 2.302 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423462061 648591542 /nfs/dbraw/zinc/59/15/42/648591542.db2.gz VAZAXKVHBWFPIW-CQSZACIVSA-N 1 0 396.329 2.303 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)C1 ZINC000423467284 648591654 /nfs/dbraw/zinc/59/16/54/648591654.db2.gz DMEFIWYYSHJOGA-CHWSQXEVSA-N 1 0 394.313 2.105 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000423488582 648592552 /nfs/dbraw/zinc/59/25/52/648592552.db2.gz WDFRUYLKBXDZRI-UHFFFAOYSA-N 1 0 383.945 2.491 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423482835 648592707 /nfs/dbraw/zinc/59/27/07/648592707.db2.gz RDTHHXGBSRCVGL-SGTLLEGYSA-N 1 0 394.313 2.092 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000423488628 648592741 /nfs/dbraw/zinc/59/27/41/648592741.db2.gz WHZCJSIOTOZEQQ-BBRMVZONSA-N 1 0 375.485 2.365 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CC1 ZINC000423482290 648592768 /nfs/dbraw/zinc/59/27/68/648592768.db2.gz OXPOREFBWUQCON-UHFFFAOYSA-N 1 0 384.307 2.336 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000423490462 648593212 /nfs/dbraw/zinc/59/32/12/648593212.db2.gz YTLPJIFAWBIHDJ-AWEZNQCLSA-N 1 0 381.929 2.373 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000423515670 648594148 /nfs/dbraw/zinc/59/41/48/648594148.db2.gz GBXYWDCMQBTHCY-OAHLLOKOSA-N 1 0 382.302 2.099 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000423550914 648594973 /nfs/dbraw/zinc/59/49/73/648594973.db2.gz BESOIJZFSWCVJO-DSPQJCBJSA-N 1 0 394.313 2.164 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br ZINC000423554928 648594979 /nfs/dbraw/zinc/59/49/79/648594979.db2.gz FRRCLSXAMZNFIO-UHFFFAOYSA-N 1 0 396.285 2.141 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423560059 648595565 /nfs/dbraw/zinc/59/55/65/648595565.db2.gz KSMKTFLAPLZPAB-FHSNZYRGSA-N 1 0 396.329 2.412 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423570306 648595936 /nfs/dbraw/zinc/59/59/36/648595936.db2.gz UGDHORQPPUMJIJ-YVEFUNNKSA-N 1 0 382.302 2.166 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC4(CC[NH2+]4)CC3)n2)s1 ZINC000423572392 648596558 /nfs/dbraw/zinc/59/65/58/648596558.db2.gz VIMDCYLKYWHJLK-UHFFFAOYSA-N 1 0 376.507 2.473 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)[C@@H]1C[NH3+] ZINC000423742260 648601400 /nfs/dbraw/zinc/60/14/00/648601400.db2.gz UJFJKCWJGOCOBJ-ZYHUDNBSSA-N 1 0 388.331 2.055 20 0 GEADRO COc1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc(Br)c1OC ZINC000423747304 648601983 /nfs/dbraw/zinc/60/19/83/648601983.db2.gz QKDACUYDZFVXNN-JTQLQIEISA-N 1 0 385.180 2.476 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423942806 648603585 /nfs/dbraw/zinc/60/35/85/648603585.db2.gz BOBZQYRGPNXGGK-UHFFFAOYSA-N 1 0 398.320 2.463 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CCCC1 ZINC000423937401 648603612 /nfs/dbraw/zinc/60/36/12/648603612.db2.gz GQRCNPNPPBDEIY-DZGCQCFKSA-N 1 0 394.313 2.436 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)C1CCCC1 ZINC000423946048 648604123 /nfs/dbraw/zinc/60/41/23/648604123.db2.gz UMPUCDCOTPFSAM-CQSZACIVSA-N 1 0 385.555 2.170 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000423953375 648605212 /nfs/dbraw/zinc/60/52/12/648605212.db2.gz LUDTYJADLHWHJB-UONOGXRCSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000423961937 648605817 /nfs/dbraw/zinc/60/58/17/648605817.db2.gz UIGKJNYQNIDZSB-CYBMUJFWSA-N 1 0 388.281 2.198 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000423965771 648606341 /nfs/dbraw/zinc/60/63/41/648606341.db2.gz YTPAULFSVHIPMI-CYBMUJFWSA-N 1 0 385.306 2.450 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423972227 648606400 /nfs/dbraw/zinc/60/64/00/648606400.db2.gz PDGFKHGCCDQKHU-HIFRSBDPSA-N 1 0 381.523 2.011 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)COc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000423995250 648607373 /nfs/dbraw/zinc/60/73/73/648607373.db2.gz DLEGYFRWRAAHFZ-LBPRGKRZSA-N 1 0 384.267 2.286 20 0 GEADRO C[C@@H]1CN(C(=O)c2c(F)cccc2I)C[C@@]1(C)C[NH3+] ZINC000423988516 648607449 /nfs/dbraw/zinc/60/74/49/648607449.db2.gz YBKFAENDQVGHND-YMTOWFKASA-N 1 0 376.213 2.487 20 0 GEADRO CN(CC[NH3+])C(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC000423999295 648608018 /nfs/dbraw/zinc/60/80/18/648608018.db2.gz CEPOSERBXKPFMR-UHFFFAOYSA-N 1 0 392.179 2.079 20 0 GEADRO O=C(COc1ccc(I)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424031870 648610152 /nfs/dbraw/zinc/61/01/52/648610152.db2.gz UFSKYTRHIBNCIF-OAHLLOKOSA-N 1 0 386.233 2.025 20 0 GEADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@@H]1C[NH3+] ZINC000424069348 648610194 /nfs/dbraw/zinc/61/01/94/648610194.db2.gz ISCBNNHZBSRBSC-MXWKQRLJSA-N 1 0 396.285 2.225 20 0 GEADRO COc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1Br ZINC000424112046 648613548 /nfs/dbraw/zinc/61/35/48/648613548.db2.gz IDBODEOUPKLRKV-NSHDSACASA-N 1 0 380.246 2.226 20 0 GEADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424385311 648626085 /nfs/dbraw/zinc/62/60/85/648626085.db2.gz CUFZCJUTTCCOIJ-GOEBONIOSA-N 1 0 382.917 2.312 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424396507 648626603 /nfs/dbraw/zinc/62/66/03/648626603.db2.gz XKLISBKBGNWNQC-LBPRGKRZSA-N 1 0 386.901 2.279 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000424456376 648628933 /nfs/dbraw/zinc/62/89/33/648628933.db2.gz WRFUPOYAOVFJOH-HUUCEWRRSA-N 1 0 397.317 2.138 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424472008 648629944 /nfs/dbraw/zinc/62/99/44/648629944.db2.gz DVKKGAWAHOPWGZ-MRVPVSSYSA-N 1 0 381.645 2.339 20 0 GEADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)c1 ZINC000424474004 648630048 /nfs/dbraw/zinc/63/00/48/648630048.db2.gz XHGCCMVVTHWQAH-CQSZACIVSA-N 1 0 376.507 2.165 20 0 GEADRO COc1ncc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC000424802618 648648515 /nfs/dbraw/zinc/64/85/15/648648515.db2.gz BTOLCVPPAVEPFW-GFCCVEGCSA-N 1 0 386.290 2.083 20 0 GEADRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425501658 648681585 /nfs/dbraw/zinc/68/15/85/648681585.db2.gz AKPKQAHLIRIKLG-BYCMXARLSA-N 1 0 383.286 2.114 20 0 GEADRO COCC(C)(C)[NH+]1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000425503719 648681823 /nfs/dbraw/zinc/68/18/23/648681823.db2.gz JUBXIVIODLVOKT-HNNXBMFYSA-N 1 0 384.318 2.018 20 0 GEADRO CC[N@H+](CCNC(=O)N1CCN(CC(F)(F)F)CC1)CCC(F)(F)F ZINC000425975993 648702597 /nfs/dbraw/zinc/70/25/97/648702597.db2.gz PETQLZJUIYFVOV-UHFFFAOYSA-N 1 0 378.361 2.150 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1Br ZINC000426972660 648719877 /nfs/dbraw/zinc/71/98/77/648719877.db2.gz HGCKGHZOYLGHLQ-SMDDNHRTSA-N 1 0 398.301 2.385 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1Br ZINC000426972659 648719914 /nfs/dbraw/zinc/71/99/14/648719914.db2.gz HGCKGHZOYLGHLQ-RISCZKNCSA-N 1 0 398.301 2.385 20 0 GEADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1c[nH]c(=O)c(Br)c1 ZINC000428548375 648736239 /nfs/dbraw/zinc/73/62/39/648736239.db2.gz ZZKMYPLNGOGVEI-AWEZNQCLSA-N 1 0 392.253 2.369 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000428557688 648737042 /nfs/dbraw/zinc/73/70/42/648737042.db2.gz KCYRJPYMDXJIDH-UHFFFAOYSA-N 1 0 384.727 2.025 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000428558552 648737124 /nfs/dbraw/zinc/73/71/24/648737124.db2.gz LNSOEMRSUVGZOJ-ZFWWWQNUSA-N 1 0 386.334 2.240 20 0 GEADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000428594341 648740676 /nfs/dbraw/zinc/74/06/76/648740676.db2.gz DNLDZISRAWKKSA-ZBFHGGJFSA-N 1 0 396.329 2.136 20 0 GEADRO CCCN(C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000429108308 648744651 /nfs/dbraw/zinc/74/46/51/648744651.db2.gz GBRHZFNJKQUZLW-WFASDCNBSA-N 1 0 382.302 2.168 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000429105926 648744751 /nfs/dbraw/zinc/74/47/51/648744751.db2.gz UGTQLOKTBRRBOO-AWEZNQCLSA-N 1 0 385.555 2.231 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429123238 648745468 /nfs/dbraw/zinc/74/54/68/648745468.db2.gz PFOSMUDLAGBVHE-UHFFFAOYSA-N 1 0 389.949 2.473 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000429133107 648745946 /nfs/dbraw/zinc/74/59/46/648745946.db2.gz HCCLOOTYNWZAFT-LSDHHAIUSA-N 1 0 384.318 2.303 20 0 GEADRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429292066 648749746 /nfs/dbraw/zinc/74/97/46/648749746.db2.gz HWBGLJKTHJCKMR-MEBBXXQBSA-N 1 0 383.286 2.340 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NCC(=O)Nc1cccc(I)c1 ZINC000430565730 648764441 /nfs/dbraw/zinc/76/44/41/648764441.db2.gz GAGXSEZQKKKAHX-AWEZNQCLSA-N 1 0 375.254 2.193 20 0 GEADRO CC[NH+](CC)C[C@@H](C)N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430711090 648765925 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C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000438843476 648806506 /nfs/dbraw/zinc/80/65/06/648806506.db2.gz VYEUBCOZXJTNFA-AWEZNQCLSA-N 1 0 381.318 2.367 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000440753679 648812061 /nfs/dbraw/zinc/81/20/61/648812061.db2.gz FVANKBXRRLYEHC-IHRRRGAJSA-N 1 0 390.933 2.420 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000440746911 648812106 /nfs/dbraw/zinc/81/21/06/648812106.db2.gz KQDUVXQQSDCCSV-MBNYWOFBSA-N 1 0 376.906 2.112 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000440763039 648812830 /nfs/dbraw/zinc/81/28/30/648812830.db2.gz RZAXEMRXEZQSHC-UHFFFAOYSA-N 1 0 376.906 2.304 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cncc(Cl)c1 ZINC000440807238 648814127 /nfs/dbraw/zinc/81/41/27/648814127.db2.gz IYLWPAVSCMLVFB-XJKSGUPXSA-N 1 0 387.839 2.437 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000440814435 648814667 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20 0 GEADRO O=S(=O)(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000443253127 648869228 /nfs/dbraw/zinc/86/92/28/648869228.db2.gz SCWWUNOCKTXDOS-GOSISDBHSA-N 1 0 380.897 2.255 20 0 GEADRO C[NH+]1CCN(CCNC(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000443918340 648890769 /nfs/dbraw/zinc/89/07/69/648890769.db2.gz GFPMKOYILHMKAX-UHFFFAOYSA-N 1 0 378.673 2.219 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1Br ZINC000548303684 651076676 /nfs/dbraw/zinc/07/66/76/651076676.db2.gz VAJPNHMUWLOSPQ-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000548664730 651082779 /nfs/dbraw/zinc/08/27/79/651082779.db2.gz DJSKJGGJCQGIHS-GUYCJALGSA-N 1 0 382.917 2.488 20 0 GEADRO Cc1nn2c(C[NH2+][C@@H]3CCC[C@@H]3CNS(C)(=O)=O)c(C(C)C)nc2s1 ZINC000548780508 651085914 /nfs/dbraw/zinc/08/59/14/651085914.db2.gz BUDVDPDRLNABMX-CHWSQXEVSA-N 1 0 385.559 2.030 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1CCC12CCOCC2)c1ccc(Cl)cc1F ZINC000548856821 651087680 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C[C@@H]1C[C@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)CC[N@@H+]1C ZINC000549143735 651092800 /nfs/dbraw/zinc/09/28/00/651092800.db2.gz NISQRJCIHBFSEO-VXGBXAGGSA-N 1 0 378.274 2.285 20 0 GEADRO C[C@@H](NC(=O)Cc1cccc(Br)c1)C(=O)NCC[NH+]1CCCCC1 ZINC000549726552 651099328 /nfs/dbraw/zinc/09/93/28/651099328.db2.gz KAXIAJOOJNTWTL-CQSZACIVSA-N 1 0 396.329 2.098 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000550361195 651109790 /nfs/dbraw/zinc/10/97/90/651109790.db2.gz FZZKMJBUGRECTA-HNNXBMFYSA-N 1 0 394.313 2.198 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000550687354 651114075 /nfs/dbraw/zinc/11/40/75/651114075.db2.gz BJMRKBOOKYAXTG-UHFFFAOYSA-N 1 0 388.225 2.203 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cc2)C[C@@H]1C ZINC000550763221 651115171 /nfs/dbraw/zinc/11/51/71/651115171.db2.gz VRERJYUYJUMOGK-BBRMVZONSA-N 1 0 396.329 2.397 20 0 GEADRO CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550836823 651115750 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C[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C[NH+](C)C ZINC000551408585 651124125 /nfs/dbraw/zinc/12/41/25/651124125.db2.gz DNBLJWLKJAGPKR-SECBINFHSA-N 1 0 381.782 2.491 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000551421960 651124478 /nfs/dbraw/zinc/12/44/78/651124478.db2.gz MHOLZPYIUHDMGN-UHFFFAOYSA-N 1 0 378.420 2.480 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1Br)C[NH+]1CCCC1 ZINC000551480180 651125374 /nfs/dbraw/zinc/12/53/74/651125374.db2.gz OOMQPWUBISGBMG-AWEZNQCLSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)NC(=O)NC1CC1 ZINC000551717723 651130215 /nfs/dbraw/zinc/13/02/15/651130215.db2.gz YXTVRNWRLHBFGF-LKFCYVNXSA-N 1 0 381.274 2.262 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H](C)CCS(C)(=O)=O)c(Br)c1 ZINC000551804063 651133040 /nfs/dbraw/zinc/13/30/40/651133040.db2.gz NLKGVELNVHWSOY-JTQLQIEISA-N 1 0 378.288 2.149 20 0 GEADRO C[C@H](NC(=O)CCCOc1cccc(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000552077545 651139559 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O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]Cc1ccc(Br)s1 ZINC000553199728 651167969 /nfs/dbraw/zinc/16/79/69/651167969.db2.gz PCGRENXUOCBAIQ-SNVBAGLBSA-N 1 0 395.278 2.257 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@@H](C)C1 ZINC000553329350 651171850 /nfs/dbraw/zinc/17/18/50/651171850.db2.gz CWLOUYBPYWKMRP-KBPBESRZSA-N 1 0 394.313 2.355 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000553781713 651188166 /nfs/dbraw/zinc/18/81/66/651188166.db2.gz LVSVPLFOKMYDHB-WBMJQRKESA-N 1 0 384.318 2.117 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2ccccc2Br)C[C@@H]1[NH+](C)C ZINC000553871292 651191956 /nfs/dbraw/zinc/19/19/56/651191956.db2.gz IMGUORIEGDHVJS-KBPBESRZSA-N 1 0 393.372 2.256 20 0 GEADRO CC[C@@H]1CN(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)C[C@@H](C)S1(=O)=O ZINC000553946350 651194883 /nfs/dbraw/zinc/19/48/83/651194883.db2.gz UIHWKNGLSBGTNA-BRWVUGGUSA-N 1 0 375.579 2.350 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)C(C)C ZINC000554729116 651211871 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O=C(c1ccc2c[nH+]cn2c1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000555817187 651230898 /nfs/dbraw/zinc/23/08/98/651230898.db2.gz CUJSTYWHUQKJJP-UHFFFAOYSA-N 1 0 386.253 2.454 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)C1 ZINC000556235908 651238802 /nfs/dbraw/zinc/23/88/02/651238802.db2.gz ISJYFLKLAMYICW-BACDZXNISA-N 1 0 388.599 2.066 20 0 GEADRO CC(C)[C@H](Cn1cccn1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000556257409 651239037 /nfs/dbraw/zinc/23/90/37/651239037.db2.gz DOPDBEDJFDKIFR-HNNXBMFYSA-N 1 0 388.896 2.268 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000556295424 651239855 /nfs/dbraw/zinc/23/98/55/651239855.db2.gz AZOOOTHHJGMXGJ-UHFFFAOYSA-N 1 0 387.958 2.471 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000556312937 651240657 /nfs/dbraw/zinc/24/06/57/651240657.db2.gz IHCJIHHQSRINJU-CYBMUJFWSA-N 1 0 385.917 2.328 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(Cl)ccc1F ZINC000556397833 651242616 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C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cnn(C)c1 ZINC000556910530 651256964 /nfs/dbraw/zinc/25/69/64/651256964.db2.gz AJNUHEMRYGSYKK-SNVBAGLBSA-N 1 0 377.297 2.356 20 0 GEADRO COC[C@]1(CNC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CCC[NH2+]1 ZINC000556989484 651259357 /nfs/dbraw/zinc/25/93/57/651259357.db2.gz DBVDLKJYKQTDOG-MRXNPFEDSA-N 1 0 381.889 2.749 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000557278880 651267846 /nfs/dbraw/zinc/26/78/46/651267846.db2.gz LKYOICVTUUNZRN-ZDUSSCGKSA-N 1 0 384.318 2.001 20 0 GEADRO C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000558260275 651278342 /nfs/dbraw/zinc/27/83/42/651278342.db2.gz ZAASWSRUIWJXHA-UONOGXRCSA-N 1 0 375.485 2.146 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCOc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000558442190 651279798 /nfs/dbraw/zinc/27/97/98/651279798.db2.gz CRZXCNDVSBSJGL-QWHCGFSZSA-N 1 0 390.311 2.469 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN(C)[C@@H](C)CN1CCOCC1 ZINC000558741730 651284095 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CCC[NH+]1CCC(CNC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000560225693 651305159 /nfs/dbraw/zinc/30/51/59/651305159.db2.gz UNJWZBBPRLYNCO-UHFFFAOYSA-N 1 0 378.420 2.339 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000560273078 651305889 /nfs/dbraw/zinc/30/58/89/651305889.db2.gz BCNFITLHFLNJPJ-CHWSQXEVSA-N 1 0 385.302 2.107 20 0 GEADRO CO[C@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000560572728 651311800 /nfs/dbraw/zinc/31/18/00/651311800.db2.gz AYKKMOQRWIIVSK-VXGBXAGGSA-N 1 0 379.320 2.049 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000560668909 651313748 /nfs/dbraw/zinc/31/37/48/651313748.db2.gz BDTPQDVIMCIALS-STQMWFEESA-N 1 0 384.318 2.473 20 0 GEADRO C[C@H](NC(=O)Cn1cc(CSCC[NH3+])nn1)c1ccc(Br)cc1 ZINC000603179696 651470959 /nfs/dbraw/zinc/47/09/59/651470959.db2.gz MYYKMRYQPGTFDY-NSHDSACASA-N 1 0 398.330 2.110 20 0 GEADRO CC[C@@H]([NH3+])c1cn([C@H](C)C(=O)Nc2ccc(I)cc2)nn1 ZINC000603190678 651471363 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CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000717134663 651474689 /nfs/dbraw/zinc/47/46/89/651474689.db2.gz SAWBDYOTSZZUEE-LBPRGKRZSA-N 1 0 382.473 2.046 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000642808284 651474987 /nfs/dbraw/zinc/47/49/87/651474987.db2.gz SAYMSSNDAVKUAW-OAHLLOKOSA-N 1 0 398.276 2.024 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000642882365 651474991 /nfs/dbraw/zinc/47/49/91/651474991.db2.gz LXHQYZUAOMNJKB-OAHLLOKOSA-N 1 0 396.329 2.101 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)c1cc(F)cc(Br)c1 ZINC000642808264 651474998 /nfs/dbraw/zinc/47/49/98/651474998.db2.gz GGLZEEALBGSGTK-CQSZACIVSA-N 1 0 386.265 2.024 20 0 GEADRO CC[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000561149059 651475452 /nfs/dbraw/zinc/47/54/52/651475452.db2.gz GLBOELXMCUXHMB-CYBMUJFWSA-N 1 0 382.302 2.122 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)[C@H](C)C1 ZINC000561154099 651475468 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CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000561625336 651481917 /nfs/dbraw/zinc/48/19/17/651481917.db2.gz FHMWKJDZMOPDIM-CABCVRRESA-N 1 0 380.286 2.155 20 0 GEADRO CCOC(=O)CC(C)(C)CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000561867353 651483541 /nfs/dbraw/zinc/48/35/41/651483541.db2.gz SSHUBFNWUQWEMI-CVEARBPZSA-N 1 0 375.531 2.024 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000643391915 651485618 /nfs/dbraw/zinc/48/56/18/651485618.db2.gz AOFWCMQJYHXRIM-ZDUSSCGKSA-N 1 0 396.329 2.220 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000643422787 651486682 /nfs/dbraw/zinc/48/66/82/651486682.db2.gz XSUBVMWXEDHLQL-HNNXBMFYSA-N 1 0 396.329 2.363 20 0 GEADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(SC(F)(F)F)cc1 ZINC000726187349 651487825 /nfs/dbraw/zinc/48/78/25/651487825.db2.gz RPFOAINASJLQCG-NWDGAFQWSA-N 1 0 396.456 2.440 20 0 GEADRO CN(CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)S(=O)(=O)c1cccs1 ZINC000643475111 651488501 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Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCOCC(C)C ZINC000726707621 651499833 /nfs/dbraw/zinc/49/98/33/651499833.db2.gz DYGKBZAAYNFHMQ-AWEZNQCLSA-N 1 0 377.938 2.357 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCC[NH+]1CCCCC1 ZINC000726701251 651499918 /nfs/dbraw/zinc/49/99/18/651499918.db2.gz FMSMCPGAWPSFEY-HNNXBMFYSA-N 1 0 388.965 2.170 20 0 GEADRO Cc1nc2ccc(C[NH2+]C[C@@H]3CCCCN3S(=O)(=O)N(C)C)cc2s1 ZINC000562891925 651503106 /nfs/dbraw/zinc/50/31/06/651503106.db2.gz XDQLRBALQXKPTQ-HNNXBMFYSA-N 1 0 382.555 2.355 20 0 GEADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CSc1nncn1C ZINC000726944317 651506944 /nfs/dbraw/zinc/50/69/44/651506944.db2.gz VERGKRMBPRSEDJ-UHFFFAOYSA-N 1 0 377.539 2.403 20 0 GEADRO C[C@@H](C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO)C1C[NH2+]C1 ZINC000563094547 651509547 /nfs/dbraw/zinc/50/95/47/651509547.db2.gz NHEAFBMCYHJREM-LLVKDONJSA-N 1 0 393.285 2.099 20 0 GEADRO Cc1cccc(Br)c1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000643970647 651512845 /nfs/dbraw/zinc/51/28/45/651512845.db2.gz LRYACSPCYUAWKP-HNNXBMFYSA-N 1 0 394.313 2.312 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000727175078 651514234 /nfs/dbraw/zinc/51/42/34/651514234.db2.gz OAXCJKBLODKQBM-LBPRGKRZSA-N 1 0 380.290 2.490 20 0 GEADRO O=C(CCN1C(=S)N=NC1c1cccs1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727175681 651514277 /nfs/dbraw/zinc/51/42/77/651514277.db2.gz ZPCBJPVOWQTVRC-CYBMUJFWSA-N 1 0 377.539 2.382 20 0 GEADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@@H]1C[NH2+]CCO1 ZINC000563208850 651516054 /nfs/dbraw/zinc/51/60/54/651516054.db2.gz BKJPOPPJOMZOTR-HNNXBMFYSA-N 1 0 381.885 2.023 20 0 GEADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC(n2cc(Br)cn2)CC1 ZINC000644051972 651518331 /nfs/dbraw/zinc/51/83/31/651518331.db2.gz YCLBSNCZKSSODH-GFCCVEGCSA-N 1 0 377.233 2.054 20 0 GEADRO Cc1nnc([C@H]2CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)[nH]1 ZINC000563232810 651518516 /nfs/dbraw/zinc/51/85/16/651518516.db2.gz BBPAACWCDVGMMA-JSGCOSHPSA-N 1 0 381.274 2.105 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000644085863 651520113 /nfs/dbraw/zinc/52/01/13/651520113.db2.gz YAFZWWOWVUDQCJ-IUODEOHRSA-N 1 0 382.302 2.024 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)CC1 ZINC000563275905 651522039 /nfs/dbraw/zinc/52/20/39/651522039.db2.gz QMBJBSQKRDBYPD-LBPRGKRZSA-N 1 0 388.917 2.053 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000644150898 651523525 /nfs/dbraw/zinc/52/35/25/651523525.db2.gz YBPGMYWRRARZEH-UFBFGSQYSA-N 1 0 375.263 2.233 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[N@@H+]1CCC[C@@H](C)C1 ZINC000727757565 651528991 /nfs/dbraw/zinc/52/89/91/651528991.db2.gz YWHAGVXGPPIUNS-MNOVXSKESA-N 1 0 376.935 2.448 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000727762175 651529490 /nfs/dbraw/zinc/52/94/90/651529490.db2.gz JVHIHFMJNQUZKS-UHFFFAOYSA-N 1 0 387.933 2.242 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)NC[C@H](O)COc2ccccc2Br)C1 ZINC000563546700 651531833 /nfs/dbraw/zinc/53/18/33/651531833.db2.gz JINABMHEAOOWJD-ZDUSSCGKSA-N 1 0 385.302 2.037 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000563562968 651532496 /nfs/dbraw/zinc/53/24/96/651532496.db2.gz BWMYPQTUQOIQHY-YPMHNXCESA-N 1 0 398.301 2.217 20 0 GEADRO Cc1nc(-c2ccc(CCNC(=O)N3CCN(C)C[C@@H]3C[NH3+])s2)cs1 ZINC000563559979 651532576 /nfs/dbraw/zinc/53/25/76/651532576.db2.gz PAJMFROBEPTERD-ZDUSSCGKSA-N 1 0 379.555 2.007 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)[C@@H]2C1 ZINC000644300442 651533272 /nfs/dbraw/zinc/53/32/72/651533272.db2.gz PQYKHVOHEWKACL-PRHODGIISA-N 1 0 381.242 2.052 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(Br)c3)[C@H]2C1 ZINC000644303776 651534379 /nfs/dbraw/zinc/53/43/79/651534379.db2.gz XHXDHXALUXRYQN-RNCFNFMXSA-N 1 0 379.707 2.427 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000563592712 651534740 /nfs/dbraw/zinc/53/47/40/651534740.db2.gz LYBDAORRDBNNCA-HDJSIYSDSA-N 1 0 399.308 2.039 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1Br ZINC000563673659 651536252 /nfs/dbraw/zinc/53/62/52/651536252.db2.gz URKIWUBAHHDMOI-DZGCQCFKSA-N 1 0 381.295 2.483 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000563673890 651536381 /nfs/dbraw/zinc/53/63/81/651536381.db2.gz YZEQCNHZWBTQHZ-ZIAGYGMSSA-N 1 0 386.901 2.406 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728174584 651540034 /nfs/dbraw/zinc/54/00/34/651540034.db2.gz SNXJKHYNXFUKNW-GOEBONIOSA-N 1 0 386.286 2.416 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccccc2C(F)(F)F)CCOCC1 ZINC000605787526 651544308 /nfs/dbraw/zinc/54/43/08/651544308.db2.gz KICCNUNQSNJNFL-UHFFFAOYSA-N 1 0 380.432 2.236 20 0 GEADRO CC[C@@H](COC)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000563827827 651544563 /nfs/dbraw/zinc/54/45/63/651544563.db2.gz YJGQBYKQDCMOIM-LBPRGKRZSA-N 1 0 379.320 2.132 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2cc(Br)ccc2F)C1 ZINC000605878621 651545391 /nfs/dbraw/zinc/54/53/91/651545391.db2.gz HJFAOZBEXXVQAF-CQSZACIVSA-N 1 0 388.281 2.151 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000605883367 651545506 /nfs/dbraw/zinc/54/55/06/651545506.db2.gz MTSPXOOEYMXFNW-JTQLQIEISA-N 1 0 377.329 2.233 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCc2cc(Br)ccc2F)C1 ZINC000605878576 651545791 /nfs/dbraw/zinc/54/57/91/651545791.db2.gz HJFAOZBEXXVQAF-AWEZNQCLSA-N 1 0 388.281 2.151 20 0 GEADRO C[N@H+](CC(=O)NC[C@@H](NCc1ccccc1)C(F)(F)F)[C@@H]1CCSC1 ZINC000563959944 651548582 /nfs/dbraw/zinc/54/85/82/651548582.db2.gz LWYYZJXMLRTUHS-HUUCEWRRSA-N 1 0 375.460 2.261 20 0 GEADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CN2CSCC2=O)CC1 ZINC000564051006 651553087 /nfs/dbraw/zinc/55/30/87/651553087.db2.gz ZRHJXDYKRVHMPA-UHFFFAOYSA-N 1 0 383.901 2.284 20 0 GEADRO CC(C)(C)NC(=O)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644544032 651553036 /nfs/dbraw/zinc/55/30/36/651553036.db2.gz QUCRBVWISGTKJO-UHFFFAOYSA-N 1 0 391.331 2.117 20 0 GEADRO CC1(C)COCCN1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000644545923 651553155 /nfs/dbraw/zinc/55/31/55/651553155.db2.gz GVMBLRBLZAFQQM-CQSZACIVSA-N 1 0 377.312 2.434 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000606437842 651553292 /nfs/dbraw/zinc/55/32/92/651553292.db2.gz DDCMYRXTQRLPDR-DLBZAZTESA-N 1 0 396.329 2.162 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000728882066 651553404 /nfs/dbraw/zinc/55/34/04/651553404.db2.gz CTRWLVCTAWJTHK-UHFFFAOYSA-N 1 0 392.301 2.444 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)[C@H](C)N1CCOCC1 ZINC000644547787 651553623 /nfs/dbraw/zinc/55/36/23/651553623.db2.gz SVNGMSFRPWPKDZ-MELADBBJSA-N 1 0 377.312 2.432 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000564074193 651554752 /nfs/dbraw/zinc/55/47/52/651554752.db2.gz ASNDQPHOBAXWCD-QWHCGFSZSA-N 1 0 382.302 2.166 20 0 GEADRO O=C(NCc1n[nH]cc1Br)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000606486028 651555714 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2.070 20 0 GEADRO C[C@@H](Cn1cncn1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000564202284 651560602 /nfs/dbraw/zinc/56/06/02/651560602.db2.gz GBEADPBWEXRQKT-JQWIXIFHSA-N 1 0 389.681 2.112 20 0 GEADRO O=C(CC[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)Nc1cccc(Cl)c1 ZINC000644646620 651561157 /nfs/dbraw/zinc/56/11/57/651561157.db2.gz DXWZCORFZAQUFQ-OAHLLOKOSA-N 1 0 385.917 2.215 20 0 GEADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=S)NCCS(C)(=O)=O)cc1 ZINC000729155054 651561470 /nfs/dbraw/zinc/56/14/70/651561470.db2.gz PUHLZSMAARZLBC-HNNXBMFYSA-N 1 0 383.583 2.070 20 0 GEADRO NC(=O)Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000644649467 651561640 /nfs/dbraw/zinc/56/16/40/651561640.db2.gz WEKGEMJDJFKWBH-INIZCTEOSA-N 1 0 393.281 2.006 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000564332092 651561703 /nfs/dbraw/zinc/56/17/03/651561703.db2.gz QTLFTUDIFVVXSW-UWVGGRQHSA-N 1 0 380.539 2.361 20 0 GEADRO NC(=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000644649468 651561780 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ZINC000646351786 651691249 /nfs/dbraw/zinc/69/12/49/651691249.db2.gz FVTDLUZURLYSMQ-KRWDZBQOSA-N 1 0 380.330 2.278 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000568964213 651692278 /nfs/dbraw/zinc/69/22/78/651692278.db2.gz ZCTDCUIMYIENHA-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO O=C(CNC(=O)c1sccc1Br)NCC[NH+]1CCCCCC1 ZINC000646427475 651696070 /nfs/dbraw/zinc/69/60/70/651696070.db2.gz YMEIIHUDRIYRNX-UHFFFAOYSA-N 1 0 388.331 2.233 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)COc1ccccc1Br ZINC000646456793 651697124 /nfs/dbraw/zinc/69/71/24/651697124.db2.gz YYXISMBGBDLFMJ-LSDHHAIUSA-N 1 0 383.286 2.150 20 0 GEADRO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CSc2ccccc21)c1ccsc1 ZINC000569087146 651699425 /nfs/dbraw/zinc/69/94/25/651699425.db2.gz BKMGAWNGPVPLAR-CABCVRRESA-N 1 0 375.519 2.430 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(Cl)c3)C[C@H]12 ZINC000569091211 651699909 /nfs/dbraw/zinc/69/99/09/651699909.db2.gz SOFUCJOWXZVURK-GMOODISLSA-N 1 0 386.677 2.237 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H](C)N1CCOCC1 ZINC000569111082 651701728 /nfs/dbraw/zinc/70/17/28/651701728.db2.gz NRXAQELOQZCJSP-MELADBBJSA-N 1 0 377.312 2.432 20 0 GEADRO COc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc(OC)c1Br ZINC000569220777 651702824 /nfs/dbraw/zinc/70/28/24/651702824.db2.gz DJMMDJBSZFKFAP-NSHDSACASA-N 1 0 379.201 2.193 20 0 GEADRO [NH3+]Cc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1 ZINC000646580059 651703615 /nfs/dbraw/zinc/70/36/15/651703615.db2.gz UVSFGUFFFCGYSK-OAHLLOKOSA-N 1 0 379.507 2.389 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC1 ZINC000569330421 651706779 /nfs/dbraw/zinc/70/67/79/651706779.db2.gz ANRPITMBHABLAJ-UHFFFAOYSA-N 1 0 394.191 2.356 20 0 GEADRO C[C@H](OC[C@@H](O)C[NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000569333852 651707191 /nfs/dbraw/zinc/70/71/91/651707191.db2.gz ZNMSNYCCZSACKZ-RRQGHBQHSA-N 1 0 375.918 2.335 20 0 GEADRO CSC[C@H](O)C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000569352419 651708210 /nfs/dbraw/zinc/70/82/10/651708210.db2.gz OEQWGNILUBURQQ-CYBMUJFWSA-N 1 0 375.332 2.111 20 0 GEADRO CN1CCO[C@@H](CSCC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000569361731 651709350 /nfs/dbraw/zinc/70/93/50/651709350.db2.gz OIQKWUOFINOVRA-QGZVFWFLSA-N 1 0 383.945 2.052 20 0 GEADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2cccc(I)c2)O1 ZINC000569462070 651715184 /nfs/dbraw/zinc/71/51/84/651715184.db2.gz DSSHRNJIAAPXMY-ZIAGYGMSSA-N 1 0 388.249 2.017 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611236190 651715475 /nfs/dbraw/zinc/71/54/75/651715475.db2.gz VYWFFAMJWZQTQX-HNNXBMFYSA-N 1 0 385.302 2.052 20 0 GEADRO CCCN(C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1)[C@H]1CC[N@H+](C)C1 ZINC000646764513 651717598 /nfs/dbraw/zinc/71/75/98/651717598.db2.gz TWBFLTRAAUQYCN-NSHDSACASA-N 1 0 378.420 2.129 20 0 GEADRO CCCN(C(=O)C(=O)Nc1c(F)cccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000646765565 651717761 /nfs/dbraw/zinc/71/77/61/651717761.db2.gz FMIGGLLKJDGPFV-NSHDSACASA-N 1 0 386.265 2.469 20 0 GEADRO O=C(C[NH2+][C@H](CO)C1CCOCC1)NCCc1cccc(Cl)c1Cl ZINC000569760414 651722301 /nfs/dbraw/zinc/72/23/01/651722301.db2.gz GTCSGUYUZVQLJJ-OAHLLOKOSA-N 1 0 375.296 2.029 20 0 GEADRO COC(=O)CC[N@@H+]1CCN(Cc2cn3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000611407321 651723312 /nfs/dbraw/zinc/72/33/12/651723312.db2.gz GKVBFTLVAKLNCB-ZDUSSCGKSA-N 1 0 395.301 2.166 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CCO1 ZINC000646853490 651724295 /nfs/dbraw/zinc/72/42/95/651724295.db2.gz GYPVHKOMBMGFBJ-PWSUYJOCSA-N 1 0 379.258 2.027 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(CC(=O)Nc3cccc(Cl)c3Cl)C2)nn1 ZINC000569795465 651724381 /nfs/dbraw/zinc/72/43/81/651724381.db2.gz WFXPQDRIBNCISB-LBPRGKRZSA-N 1 0 383.283 2.319 20 0 GEADRO CC[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(I)cc1 ZINC000611446299 651724609 /nfs/dbraw/zinc/72/46/09/651724609.db2.gz IFLBPPPNLCZJMR-AWEZNQCLSA-N 1 0 388.249 2.191 20 0 GEADRO Brc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(N2CCOCC2)c1 ZINC000569810480 651726147 /nfs/dbraw/zinc/72/61/47/651726147.db2.gz KYUFHKMFFKTCPC-GDBMZVCRSA-N 1 0 380.330 2.327 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000569816693 651726740 /nfs/dbraw/zinc/72/67/40/651726740.db2.gz CGYNNFAOMCDIIX-HNNXBMFYSA-N 1 0 386.677 2.253 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)[C@@H]2C1 ZINC000646911799 651727118 /nfs/dbraw/zinc/72/71/18/651727118.db2.gz HCNOXCAVFXJHBO-MLGOLLRUSA-N 1 0 375.270 2.411 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c(O)cnc4c(Br)cccc43)[C@H]2C1 ZINC000646915687 651727707 /nfs/dbraw/zinc/72/77/07/651727707.db2.gz SNKWAADADWLPLW-MFKMUULPSA-N 1 0 376.254 2.479 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000569838903 651727849 /nfs/dbraw/zinc/72/78/49/651727849.db2.gz UMLXOSJZFBVGEQ-UHOFOFEASA-N 1 0 394.295 2.143 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cnc3OCC3CC3)[C@H]2C1 ZINC000646919056 651728465 /nfs/dbraw/zinc/72/84/65/651728465.db2.gz DQYNRLNRERBYTN-DOMZBBRYSA-N 1 0 380.286 2.409 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000569848621 651728546 /nfs/dbraw/zinc/72/85/46/651728546.db2.gz JWUKBPJXVMAVDP-SLEUVZQESA-N 1 0 382.302 2.296 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cnc3OCC3CC3)[C@@H]2C1 ZINC000646919057 651728623 /nfs/dbraw/zinc/72/86/23/651728623.db2.gz DQYNRLNRERBYTN-IUODEOHRSA-N 1 0 380.286 2.409 20 0 GEADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000569847655 651728731 /nfs/dbraw/zinc/72/87/31/651728731.db2.gz DJOFMYNDNGCOFE-LKTVYLICSA-N 1 0 382.302 2.352 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H](C)N2CCOCC2)c(Br)c1 ZINC000569874243 651730950 /nfs/dbraw/zinc/73/09/50/651730950.db2.gz XXVXGKGLTHQSRN-STQMWFEESA-N 1 0 385.302 2.435 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000569909929 651732845 /nfs/dbraw/zinc/73/28/45/651732845.db2.gz IFBDJRKLONILBL-JTQLQIEISA-N 1 0 392.681 2.149 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000647064539 651733218 /nfs/dbraw/zinc/73/32/18/651733218.db2.gz TUVXUYWXUQUFRV-NEPJUHHUSA-N 1 0 391.331 2.103 20 0 GEADRO COc1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)sc1Br ZINC000647077278 651733355 /nfs/dbraw/zinc/73/33/55/651733355.db2.gz JVSYLXRXXDSHOQ-MFKMUULPSA-N 1 0 389.315 2.488 20 0 GEADRO CCCN(C(=O)C(=O)NCCc1cccc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000647078604 651734078 /nfs/dbraw/zinc/73/40/78/651734078.db2.gz HUMGDVUBIIVUEF-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO O=C(CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc(Br)cc1 ZINC000569936330 651735170 /nfs/dbraw/zinc/73/51/70/651735170.db2.gz LDPSGFLLCRKOAX-PBHICJAKSA-N 1 0 380.286 2.425 20 0 GEADRO C[C@H](CCNC(=O)c1sccc1S(N)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC000611774799 651735392 /nfs/dbraw/zinc/73/53/92/651735392.db2.gz DQGLTGBLGCNOIW-CYBMUJFWSA-N 1 0 381.523 2.036 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cncnc2OC)cc1Br ZINC000647215560 651736796 /nfs/dbraw/zinc/73/67/96/651736796.db2.gz YUXSPNIZDMSITR-CYBMUJFWSA-N 1 0 396.285 2.197 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000647223240 651737124 /nfs/dbraw/zinc/73/71/24/651737124.db2.gz NCLHDCUWJMYMQG-IINYFYTJSA-N 1 0 389.905 2.055 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)CC[C@H]1[NH3+] ZINC000647222570 651737204 /nfs/dbraw/zinc/73/72/04/651737204.db2.gz DQZJEJPMQPVVKW-QMTHXVAHSA-N 1 0 386.315 2.299 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1Br ZINC000647228296 651737842 /nfs/dbraw/zinc/73/78/42/651737842.db2.gz RNKRGFOTKHXFOY-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO CSC1(CNC(=O)N2CCN(c3nc(C)cs3)CC2)CC[NH+](C)CC1 ZINC000569980495 651738240 /nfs/dbraw/zinc/73/82/40/651738240.db2.gz LKGIRTIYAMDMJJ-UHFFFAOYSA-N 1 0 383.587 2.111 20 0 GEADRO Cn1cnc(CCC[NH2+]Cc2c(Br)cncc2Br)n1 ZINC000647231555 651738275 /nfs/dbraw/zinc/73/82/75/651738275.db2.gz BGSJGBKRJZAPQV-UHFFFAOYSA-N 1 0 389.095 2.458 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)CC[C@@H]1[NH3+] ZINC000647269967 651738363 /nfs/dbraw/zinc/73/83/63/651738363.db2.gz HILHIPJRXKJXMV-YPMHNXCESA-N 1 0 389.905 2.055 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)NCC3=CC[NH2+]CC3)cc21 ZINC000647282930 651741105 /nfs/dbraw/zinc/74/11/05/651741105.db2.gz AJNBBUJXNFKDHX-UHFFFAOYSA-N 1 0 384.299 2.139 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647287237 651741505 /nfs/dbraw/zinc/74/15/05/651741505.db2.gz VDTNVHKJQHHJSX-HZMBPMFUSA-N 1 0 386.315 2.217 20 0 GEADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000570046418 651742171 /nfs/dbraw/zinc/74/21/71/651742171.db2.gz SIMDINQYPQVUQM-XIRDDKMYSA-N 1 0 397.313 2.442 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(C)c(Br)cc1C ZINC000647293539 651742147 /nfs/dbraw/zinc/74/21/47/651742147.db2.gz NIRVEKJHTLPMCE-RYUDHWBXSA-N 1 0 379.295 2.386 20 0 GEADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000570046417 651742339 /nfs/dbraw/zinc/74/23/39/651742339.db2.gz SIMDINQYPQVUQM-UAGQMJEPSA-N 1 0 397.313 2.442 20 0 GEADRO O=S(=O)(c1ccc(Br)cn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647308351 651743292 /nfs/dbraw/zinc/74/32/92/651743292.db2.gz OFDIPNZNQQLCRS-CHWSQXEVSA-N 1 0 388.331 2.244 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc21 ZINC000647324404 651743936 /nfs/dbraw/zinc/74/39/36/651743936.db2.gz VTPQYWUGPVMHEG-LLVKDONJSA-N 1 0 396.257 2.202 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)NCCC[NH2+]C3CC3)cc21 ZINC000647324337 651743944 /nfs/dbraw/zinc/74/39/44/651743944.db2.gz SXXGNNQVCBHQDR-UHFFFAOYSA-N 1 0 386.315 2.361 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cccc2cc(Br)cnc21 ZINC000570064184 651744031 /nfs/dbraw/zinc/74/40/31/651744031.db2.gz CQYGZXBOWZMLKZ-CYBMUJFWSA-N 1 0 379.258 2.497 20 0 GEADRO CSc1ccc(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)s1 ZINC000570093898 651746265 /nfs/dbraw/zinc/74/62/65/651746265.db2.gz YEGXPMKPOUOULU-UHFFFAOYSA-N 1 0 383.564 2.440 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2Br)[C@@H](C)C1 ZINC000734465012 651746246 /nfs/dbraw/zinc/74/62/46/651746246.db2.gz SYNHRHXVAGYPOU-WCQYABFASA-N 1 0 387.322 2.347 20 0 GEADRO C[C@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000570158327 651750601 /nfs/dbraw/zinc/75/06/01/651750601.db2.gz OTJUZEXEDYCAFM-NSHDSACASA-N 1 0 395.301 2.162 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000612551797 651760950 /nfs/dbraw/zinc/76/09/50/651760950.db2.gz KDAJXUBLFYGTTB-AWEZNQCLSA-N 1 0 382.302 2.008 20 0 GEADRO CN(C)c1nc2sc(C(=O)N3CCOC[C@@H]3[C@H]3CCC[N@@H+]3C)cc2s1 ZINC000647822788 651761363 /nfs/dbraw/zinc/76/13/63/651761363.db2.gz YOEVDTSJTLIAIB-VXGBXAGGSA-N 1 0 380.539 2.359 20 0 GEADRO CN(C)c1nc2sc(C(=O)N3CCOC[C@H]3[C@@H]3CCC[N@@H+]3C)cc2s1 ZINC000647822787 651761426 /nfs/dbraw/zinc/76/14/26/651761426.db2.gz YOEVDTSJTLIAIB-RYUDHWBXSA-N 1 0 380.539 2.359 20 0 GEADRO CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000647840661 651762590 /nfs/dbraw/zinc/76/25/90/651762590.db2.gz RZMLHIVSDRWMPU-GFCCVEGCSA-N 1 0 380.286 2.012 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000570398062 651764683 /nfs/dbraw/zinc/76/46/83/651764683.db2.gz AQMVXEZZFDAQFN-LXZKKBNFSA-N 1 0 394.313 2.356 20 0 GEADRO CC(C)[C@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000647929291 651766476 /nfs/dbraw/zinc/76/64/76/651766476.db2.gz YEMUYBIACFCGDY-OAHLLOKOSA-N 1 0 375.332 2.153 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647957789 651767082 /nfs/dbraw/zinc/76/70/82/651767082.db2.gz KUMIHRNBNMMCFO-HNNXBMFYSA-N 1 0 386.334 2.329 20 0 GEADRO CC[C@@H]1CN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647937918 651767156 /nfs/dbraw/zinc/76/71/56/651767156.db2.gz DWESHDNLHGFRLE-PBHICJAKSA-N 1 0 398.345 2.346 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000612750556 651768958 /nfs/dbraw/zinc/76/89/58/651768958.db2.gz AJATZXHCGPINCU-DAXOMENPSA-N 1 0 382.302 2.476 20 0 GEADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648003841 651769809 /nfs/dbraw/zinc/76/98/09/651769809.db2.gz BYNRDBNZJHZFQN-ZSHCYNCHSA-N 1 0 379.298 2.079 20 0 GEADRO O=C(NCCOc1cccc(Cl)c1Cl)C1(n2cccn2)CC[NH2+]CC1 ZINC000648016069 651769851 /nfs/dbraw/zinc/76/98/51/651769851.db2.gz AARGSWNRRIALMT-UHFFFAOYSA-N 1 0 383.279 2.464 20 0 GEADRO C[C@H]1[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCS1(=O)=O ZINC000570536795 651773353 /nfs/dbraw/zinc/77/33/53/651773353.db2.gz XXQZOZQELOAPRG-NHYWBVRUSA-N 1 0 384.299 2.300 20 0 GEADRO COc1sc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1Br ZINC000648065975 651773401 /nfs/dbraw/zinc/77/34/01/651773401.db2.gz UQSMVLVJFKPKHS-SNVBAGLBSA-N 1 0 376.320 2.071 20 0 GEADRO CN(C)[C@H](CNC(=O)C(=O)N1CCSC(C)(C)C1)c1ccccc1Cl ZINC000570545829 651773800 /nfs/dbraw/zinc/77/38/00/651773800.db2.gz SFAZHYKBABVJNY-OAHLLOKOSA-N 1 0 383.945 2.413 20 0 GEADRO CC(C)(C)N1CC[C@@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1=O ZINC000648196598 651775790 /nfs/dbraw/zinc/77/57/90/651775790.db2.gz AVYCCINJJUCVPV-DYVFJYSZSA-N 1 0 382.302 2.139 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000570580967 651776632 /nfs/dbraw/zinc/77/66/32/651776632.db2.gz AGCMYDMAHJOHGF-AWEZNQCLSA-N 1 0 383.330 2.448 20 0 GEADRO [NH3+]CCC1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000570641555 651780034 /nfs/dbraw/zinc/78/00/34/651780034.db2.gz POCOXEHXIGADDN-CQSZACIVSA-N 1 0 394.313 2.389 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)[C@H]2C1 ZINC000613330805 651783512 /nfs/dbraw/zinc/78/35/12/651783512.db2.gz XRAVATFHVJXBHW-RNCFNFMXSA-N 1 0 379.258 2.197 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000570687412 651783880 /nfs/dbraw/zinc/78/38/80/651783880.db2.gz VBPZTNBFQCWCOH-WMLDXEAASA-N 1 0 397.317 2.001 20 0 GEADRO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000570809420 651793577 /nfs/dbraw/zinc/79/35/77/651793577.db2.gz YPHMJKWBTNRLDL-GOEBONIOSA-N 1 0 394.313 2.009 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000570837274 651794833 /nfs/dbraw/zinc/79/48/33/651794833.db2.gz QCMJVZGCMKYTLT-CYBMUJFWSA-N 1 0 382.309 2.148 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000735924493 651802511 /nfs/dbraw/zinc/80/25/11/651802511.db2.gz WMFIPWFYFVHPRO-CYBMUJFWSA-N 1 0 387.933 2.195 20 0 GEADRO CCCN(C(=O)c1cc(Cn2cc(Br)cn2)on1)[C@H]1CC[N@H+](C)C1 ZINC000648998637 651810119 /nfs/dbraw/zinc/81/01/19/651810119.db2.gz PANQFMCFAFNKHM-ZDUSSCGKSA-N 1 0 396.289 2.238 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000736091111 651810672 /nfs/dbraw/zinc/81/06/72/651810672.db2.gz ABKQJVGQFYYFSU-ZDUSSCGKSA-N 1 0 387.933 2.340 20 0 GEADRO Cn1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(-c2ccc(Cl)s2)n1 ZINC000614065099 651810805 /nfs/dbraw/zinc/81/08/05/651810805.db2.gz KSYHGSABJFSHCS-KRWDZBQOSA-N 1 0 382.917 2.331 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)c(F)cc2F)C1 ZINC000614065201 651811379 /nfs/dbraw/zinc/81/13/79/651811379.db2.gz MGCJNSXFRAQDEO-HNNXBMFYSA-N 1 0 377.229 2.256 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000614071693 651811672 /nfs/dbraw/zinc/81/16/72/651811672.db2.gz XYSBIEJBBMAGDB-LZLYRXPVSA-N 1 0 381.314 2.468 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000614071423 651811796 /nfs/dbraw/zinc/81/17/96/651811796.db2.gz RCUIDHLRHKUXFF-KSSFIOAISA-N 1 0 397.313 2.230 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000614071692 651811817 /nfs/dbraw/zinc/81/18/17/651811817.db2.gz XYSBIEJBBMAGDB-JZXOWHBKSA-N 1 0 381.314 2.468 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccccc1Br ZINC000571148073 651813711 /nfs/dbraw/zinc/81/37/11/651813711.db2.gz WORZUTVXPVNXBC-UHFFFAOYSA-N 1 0 384.318 2.256 20 0 GEADRO C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1cccc(Br)c1 ZINC000649070666 651813941 /nfs/dbraw/zinc/81/39/41/651813941.db2.gz SIPCIXMVJOCNMC-STQMWFEESA-N 1 0 382.302 2.131 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(Cl)cc1Br ZINC000649074392 651815042 /nfs/dbraw/zinc/81/50/42/651815042.db2.gz IBQILQVLENWPGI-SNVBAGLBSA-N 1 0 388.693 2.295 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000571194364 651816461 /nfs/dbraw/zinc/81/64/61/651816461.db2.gz FDDHAURVKRQLLM-FZMZJTMJSA-N 1 0 383.286 2.491 20 0 GEADRO CC[N@@H+]1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)C[C@@H]1C ZINC000649285500 651822104 /nfs/dbraw/zinc/82/21/04/651822104.db2.gz POGQHKROUFPVHR-LBPRGKRZSA-N 1 0 378.274 2.196 20 0 GEADRO CC[N@@H+]1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)C[C@H]1C ZINC000649285499 651822214 /nfs/dbraw/zinc/82/22/14/651822214.db2.gz POGQHKROUFPVHR-GFCCVEGCSA-N 1 0 378.274 2.196 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649342238 651823326 /nfs/dbraw/zinc/82/33/26/651823326.db2.gz VMKBBQXREUAKDP-AWEZNQCLSA-N 1 0 396.329 2.033 20 0 GEADRO O=C(C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)N1CCCC1 ZINC000571315800 651825332 /nfs/dbraw/zinc/82/53/32/651825332.db2.gz OFWFAZCWCKOLTI-GFCCVEGCSA-N 1 0 391.693 2.054 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000571327219 651826181 /nfs/dbraw/zinc/82/61/81/651826181.db2.gz WTJQGQNUPAYAKW-HNNXBMFYSA-N 1 0 380.286 2.060 20 0 GEADRO CS[C@H]1CN(C(=O)CCn2cc(Br)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000614460210 651828786 /nfs/dbraw/zinc/82/87/86/651828786.db2.gz YFGJZBUBGZHVNA-KBPBESRZSA-N 1 0 387.347 2.074 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649558282 651830487 /nfs/dbraw/zinc/83/04/87/651830487.db2.gz IVMMSWXKLQPIJD-HNNXBMFYSA-N 1 0 380.286 2.378 20 0 GEADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000614633379 651831054 /nfs/dbraw/zinc/83/10/54/651831054.db2.gz NDEFKEKUJMIOOD-AWEZNQCLSA-N 1 0 376.507 2.143 20 0 GEADRO C[C@H]([C@H](C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000571432821 651832470 /nfs/dbraw/zinc/83/24/70/651832470.db2.gz VXDBZBRBINGCKF-GZBFAFLISA-N 1 0 377.312 2.432 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2nscc2Br)CC1 ZINC000649986973 651839404 /nfs/dbraw/zinc/83/94/04/651839404.db2.gz XXIHGLVTMXUVET-UHFFFAOYSA-N 1 0 383.271 2.272 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]CC2(c3ccccc3Br)CC2)CC1 ZINC000571552267 651839617 /nfs/dbraw/zinc/83/96/17/651839617.db2.gz SAVNJFFRDUMPHC-UHFFFAOYSA-N 1 0 388.327 2.010 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)NCC1(c2ccccc2Br)CC1 ZINC000571625669 651844375 /nfs/dbraw/zinc/84/43/75/651844375.db2.gz RBCSMUXVUKAUQL-CYBMUJFWSA-N 1 0 382.302 2.158 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c(Br)c1 ZINC000571648155 651845784 /nfs/dbraw/zinc/84/57/84/651845784.db2.gz DKLWHTQWKDRLQV-NSHDSACASA-N 1 0 381.270 2.336 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c(Br)c1 ZINC000571648154 651845875 /nfs/dbraw/zinc/84/58/75/651845875.db2.gz DKLWHTQWKDRLQV-LLVKDONJSA-N 1 0 381.270 2.336 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(I)cc1F ZINC000571658759 651846693 /nfs/dbraw/zinc/84/66/93/651846693.db2.gz RQCWPRKTQLEKDT-VIFPVBQESA-N 1 0 380.226 2.464 20 0 GEADRO C[C@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C[C@H]1[NH3+] ZINC000571656334 651846711 /nfs/dbraw/zinc/84/67/11/651846711.db2.gz JBPMAGRGQSJAJA-XJKSGUPXSA-N 1 0 396.329 2.486 20 0 GEADRO O=C(COc1cccc(I)c1)NCCC[C@H]1CCC[NH2+]1 ZINC000571670452 651847203 /nfs/dbraw/zinc/84/72/03/651847203.db2.gz FPTGFLHEUBLSRB-CYBMUJFWSA-N 1 0 388.249 2.318 20 0 GEADRO COc1cc(F)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000614987286 651847568 /nfs/dbraw/zinc/84/75/68/651847568.db2.gz PMJJUULPALDPCB-LSDHHAIUSA-N 1 0 392.493 2.174 20 0 GEADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc2c1C ZINC000571680282 651848169 /nfs/dbraw/zinc/84/81/69/651848169.db2.gz SVHQGDFIZYGSPO-UWVGGRQHSA-N 1 0 385.511 2.186 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000571760179 651851939 /nfs/dbraw/zinc/85/19/39/651851939.db2.gz LLIWSVUGYNEYTE-UPJWGTAASA-N 1 0 382.291 2.414 20 0 GEADRO COc1nc(C)c(Br)cc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000615263168 651858184 /nfs/dbraw/zinc/85/81/84/651858184.db2.gz CVYSMKHXYLTDBX-GJZGRUSLSA-N 1 0 398.301 2.096 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)CCCc3ccccc3Br)C2)CC1 ZINC000615273393 651859043 /nfs/dbraw/zinc/85/90/43/651859043.db2.gz PJGIVLZTEBGYJK-UHFFFAOYSA-N 1 0 394.357 2.478 20 0 GEADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)[C@H](C(F)(F)F)C1 ZINC000571888945 651859843 /nfs/dbraw/zinc/85/98/43/651859843.db2.gz WAPYSTXZGOVYLH-GIPNMCIBSA-N 1 0 376.341 2.421 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)C(C)(C)c3ccccc3Br)C2)CC1 ZINC000615278726 651859924 /nfs/dbraw/zinc/85/99/24/651859924.db2.gz JKZVNCSQEWFHJG-UHFFFAOYSA-N 1 0 394.357 2.433 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc(Br)cc1F ZINC000615276287 651860073 /nfs/dbraw/zinc/86/00/73/651860073.db2.gz RCXWSUDXVVYQJB-CVEARBPZSA-N 1 0 385.277 2.452 20 0 GEADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N(C)CCC[NH2+]C)cc2c1C ZINC000571899796 651860475 /nfs/dbraw/zinc/86/04/75/651860475.db2.gz NEONVLVOKODGMW-UHFFFAOYSA-N 1 0 385.511 2.011 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3c(Cl)cccc3Br)C2)CC1 ZINC000615281915 651860549 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CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000574823394 652045408 /nfs/dbraw/zinc/04/54/08/652045408.db2.gz KHFGPHURZRRPKT-JTQLQIEISA-N 1 0 395.294 2.359 20 0 GEADRO CC(C)[N@H+](C)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC000656693023 652046153 /nfs/dbraw/zinc/04/61/53/652046153.db2.gz SNXWWBOOYFILSV-SJCJKPOMSA-N 1 0 388.295 2.462 20 0 GEADRO O=C(CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccccc1Br ZINC000574857282 652047226 /nfs/dbraw/zinc/04/72/26/652047226.db2.gz HEQPVJKRDJSVGM-PBHICJAKSA-N 1 0 380.286 2.425 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(CCO)CCCC1 ZINC000744449005 652048476 /nfs/dbraw/zinc/04/84/76/652048476.db2.gz QEKBZUAUKNQUCQ-CQSZACIVSA-N 1 0 389.949 2.237 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000574916420 652052032 /nfs/dbraw/zinc/05/20/32/652052032.db2.gz ONCHNNQIYCEHJL-QWHCGFSZSA-N 1 0 386.901 2.137 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)COc2cccc(I)c2)C1 ZINC000574915727 652052148 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GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(Br)c3F)[C@@H]2C1 ZINC000657777912 652204641 /nfs/dbraw/zinc/20/46/41/652204641.db2.gz FIEWEHNGAWQWEI-GXFFZTMASA-N 1 0 384.249 2.079 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Cc1ccc(Br)c(F)c1 ZINC000577678750 652206303 /nfs/dbraw/zinc/20/63/03/652206303.db2.gz IRZZSNOVLHVPHS-UHFFFAOYSA-N 1 0 388.325 2.473 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657825365 652209285 /nfs/dbraw/zinc/20/92/85/652209285.db2.gz YXGLQRHWVFURCH-LLVKDONJSA-N 1 0 386.265 2.327 20 0 GEADRO C[S@@](=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000577742474 652212347 /nfs/dbraw/zinc/21/23/47/652212347.db2.gz STKFMNKJPXSGLT-WIUDPPPLSA-N 1 0 396.734 2.343 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000577751750 652213154 /nfs/dbraw/zinc/21/31/54/652213154.db2.gz SIMKSYFJPUELHC-QWHCGFSZSA-N 1 0 386.901 2.137 20 0 GEADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748712265 652213420 /nfs/dbraw/zinc/21/34/20/652213420.db2.gz SMDRVMIPQMWUQA-MRXNPFEDSA-N 1 0 387.933 2.050 20 0 GEADRO CSc1ccc(Cl)c(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000657936235 652217808 /nfs/dbraw/zinc/21/78/08/652217808.db2.gz JVEKHSBMHXIXFN-UHFFFAOYSA-N 1 0 381.889 2.397 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)cc1Br ZINC000577829804 652219706 /nfs/dbraw/zinc/21/97/06/652219706.db2.gz IRBABCVRGLOPMQ-TXEJJXNPSA-N 1 0 398.276 2.293 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000577834435 652220372 /nfs/dbraw/zinc/22/03/72/652220372.db2.gz WNZJEWMMEUERDG-JKSUJKDBSA-N 1 0 381.295 2.483 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000577852086 652222535 /nfs/dbraw/zinc/22/25/35/652222535.db2.gz VYIPVJGERHTUOJ-STQMWFEESA-N 1 0 381.523 2.082 20 0 GEADRO CC[N@H+](C)C[C@@H](O)CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000577883703 652226302 /nfs/dbraw/zinc/22/63/02/652226302.db2.gz KONNOFSGYRGOSF-SMDDNHRTSA-N 1 0 399.251 2.404 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@H](CN2CCc3ccc(F)c(Br)c3C2)C1 ZINC000623238785 652228649 /nfs/dbraw/zinc/22/86/49/652228649.db2.gz SSNNYMQBWBINST-GFCCVEGCSA-N 1 0 384.293 2.144 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000658003218 652229132 /nfs/dbraw/zinc/22/91/32/652229132.db2.gz XLGXFMYHAMTRBN-LLVKDONJSA-N 1 0 386.265 2.468 20 0 GEADRO Cc1cc(CNCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ncc1Br ZINC000623394945 652234271 /nfs/dbraw/zinc/23/42/71/652234271.db2.gz YRRHLODPFRCVJQ-MRXNPFEDSA-N 1 0 383.334 2.185 20 0 GEADRO C[NH+](C)CCNC(=S)Nc1cc(F)c(I)c(F)c1 ZINC000749110184 652236243 /nfs/dbraw/zinc/23/62/43/652236243.db2.gz STFYUWUSDSTKCW-UHFFFAOYSA-N 1 0 385.221 2.417 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658121724 652238053 /nfs/dbraw/zinc/23/80/53/652238053.db2.gz BZOGOTIZSHZRDZ-LLVKDONJSA-N 1 0 398.301 2.385 20 0 GEADRO COc1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)ccc1Br ZINC000623479318 652240011 /nfs/dbraw/zinc/24/00/11/652240011.db2.gz OMXKGBPXKFSPHN-AWEZNQCLSA-N 1 0 383.286 2.395 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000623491224 652240841 /nfs/dbraw/zinc/24/08/41/652240841.db2.gz KCPYOYUBHWJPIG-UHFFFAOYSA-N 1 0 375.485 2.182 20 0 GEADRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658169772 652241499 /nfs/dbraw/zinc/24/14/99/652241499.db2.gz KHOLRWGLPOQGQW-UFBFGSQYSA-N 1 0 399.257 2.171 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)c1ccncc1 ZINC000749296296 652244948 /nfs/dbraw/zinc/24/49/48/652244948.db2.gz OFJZBRDYRSDYAC-DOMZBBRYSA-N 1 0 382.917 2.493 20 0 GEADRO Cc1cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)ncc1Br ZINC000623546726 652246023 /nfs/dbraw/zinc/24/60/23/652246023.db2.gz PNWZOLGDWMFCPY-UHFFFAOYSA-N 1 0 384.318 2.124 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749346305 652247926 /nfs/dbraw/zinc/24/79/26/652247926.db2.gz GEZLVLBJXIBHQA-LBPRGKRZSA-N 1 0 393.289 2.029 20 0 GEADRO COc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)ccc1Br ZINC000623576257 652247925 /nfs/dbraw/zinc/24/79/25/652247925.db2.gz NJFYYSFTZFOCIG-UHFFFAOYSA-N 1 0 396.329 2.311 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1 ZINC000623636366 652250420 /nfs/dbraw/zinc/25/04/20/652250420.db2.gz MOXJDMKDXBTQHU-UHFFFAOYSA-N 1 0 377.453 2.137 20 0 GEADRO CN1CCN(C(=O)NCC2(c3cccc(Br)c3)CCC2)[C@@H](C[NH3+])C1 ZINC000578172315 652250592 /nfs/dbraw/zinc/25/05/92/652250592.db2.gz SOJDZFZRMSZCEN-INIZCTEOSA-N 1 0 395.345 2.155 20 0 GEADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000578191033 652251971 /nfs/dbraw/zinc/25/19/71/652251971.db2.gz OEEQCZCCNBUPLD-BLLLJJGKSA-N 1 0 377.242 2.115 20 0 GEADRO Fc1cc(Br)cc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000623651148 652252177 /nfs/dbraw/zinc/25/21/77/652252177.db2.gz DZLNURHMIXHKQK-AWEZNQCLSA-N 1 0 391.248 2.394 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000658332762 652254478 /nfs/dbraw/zinc/25/44/78/652254478.db2.gz HVJSRDMTPFYDEH-LBPRGKRZSA-N 1 0 389.327 2.320 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)C[C@H]12 ZINC000578227118 652254291 /nfs/dbraw/zinc/25/42/91/652254291.db2.gz VXCXREZSEQLTHB-AQNFWKISSA-N 1 0 379.913 2.189 20 0 GEADRO CN1CCOC[C@@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000623712902 652255460 /nfs/dbraw/zinc/25/54/60/652255460.db2.gz OJCDQCKEROESOR-JTQLQIEISA-N 1 0 379.096 2.027 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000749448461 652255725 /nfs/dbraw/zinc/25/57/25/652255725.db2.gz UPBYMZHZCGTNQF-STQMWFEESA-N 1 0 393.289 2.027 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658361826 652256576 /nfs/dbraw/zinc/25/65/76/652256576.db2.gz NVEHYIUSTSUCIB-SNVBAGLBSA-N 1 0 390.228 2.218 20 0 GEADRO C[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000658364559 652257339 /nfs/dbraw/zinc/25/73/39/652257339.db2.gz BDSMXFAJVVBIHX-MNOVXSKESA-N 1 0 379.295 2.396 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000658378242 652260237 /nfs/dbraw/zinc/26/02/37/652260237.db2.gz TXJDENDQYNSYAY-ZYHUDNBSSA-N 1 0 377.304 2.206 20 0 GEADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000658379640 652260610 /nfs/dbraw/zinc/26/06/10/652260610.db2.gz VNTMGWHKUJHAOL-HNNXBMFYSA-N 1 0 378.416 2.491 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000658379425 652260741 /nfs/dbraw/zinc/26/07/41/652260741.db2.gz QPDRGXGADAQYON-HNNXBMFYSA-N 1 0 391.306 2.494 20 0 GEADRO S=c1sc(N2CCOCC2)nn1CN1CCC([NH+]2CCCCC2)CC1 ZINC000749660632 652260796 /nfs/dbraw/zinc/26/07/96/652260796.db2.gz DEWRQOXMPLCJSK-UHFFFAOYSA-N 1 0 383.587 2.418 20 0 GEADRO Brc1cncc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623782547 652260906 /nfs/dbraw/zinc/26/09/06/652260906.db2.gz VZPGHLDRSQLOMG-KRWDZBQOSA-N 1 0 377.286 2.230 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000658382128 652262149 /nfs/dbraw/zinc/26/21/49/652262149.db2.gz IEBBZJDRYYMJTG-UHFFFAOYSA-N 1 0 377.279 2.246 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1Cl ZINC000658382520 652262167 /nfs/dbraw/zinc/26/21/67/652262167.db2.gz OAEJOWZTBHAWNZ-WBVHZDCISA-N 1 0 388.917 2.256 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Cl ZINC000658383163 652262821 /nfs/dbraw/zinc/26/28/21/652262821.db2.gz BEWDZTGRXYPCMW-XEZPLFJOSA-N 1 0 388.917 2.256 20 0 GEADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)s1 ZINC000658388953 652263553 /nfs/dbraw/zinc/26/35/53/652263553.db2.gz DGTPMTLIYRCDMO-UHFFFAOYSA-N 1 0 387.571 2.003 20 0 GEADRO CCOC[C@H](C)CS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000658391330 652264599 /nfs/dbraw/zinc/26/45/99/652264599.db2.gz AGKMIVFAENCKEE-DXCKQFNASA-N 1 0 376.469 2.002 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2ncccc2Br)[C@@H]1CCC[NH3+] ZINC000658399122 652265057 /nfs/dbraw/zinc/26/50/57/652265057.db2.gz MNRDCBTWVWELME-DGCLKSJQSA-N 1 0 376.320 2.372 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000658401993 652266000 /nfs/dbraw/zinc/26/60/00/652266000.db2.gz JVZNQOVEANDBCJ-NSHDSACASA-N 1 0 389.315 2.411 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000658402977 652266036 /nfs/dbraw/zinc/26/60/36/652266036.db2.gz WIZINXGBCPIADZ-LLVKDONJSA-N 1 0 389.880 2.391 20 0 GEADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1ccc(Br)c(C(F)(F)F)c1 ZINC000658403614 652266475 /nfs/dbraw/zinc/26/64/75/652266475.db2.gz HHCGZJVADNNKJW-UHFFFAOYSA-N 1 0 399.232 2.498 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CC[C@H]1F ZINC000658408612 652267328 /nfs/dbraw/zinc/26/73/28/652267328.db2.gz WPAWOKQUCMVSHY-PHDIDXHHSA-N 1 0 377.688 2.224 20 0 GEADRO Cc1cc(Cl)c(C)c(S(=O)(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1Cl ZINC000658408804 652267376 /nfs/dbraw/zinc/26/73/76/652267376.db2.gz QQKDVUCOHBJKRV-UHFFFAOYSA-N 1 0 391.280 2.043 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC[C@H]1F ZINC000658408764 652267533 /nfs/dbraw/zinc/26/75/33/652267533.db2.gz OSLMLUDKZOTRTA-VXGBXAGGSA-N 1 0 385.686 2.303 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624072682 652268465 /nfs/dbraw/zinc/26/84/65/652268465.db2.gz CJQCDDGDBOXMGM-HNNXBMFYSA-N 1 0 384.322 2.352 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000658424128 652269074 /nfs/dbraw/zinc/26/90/74/652269074.db2.gz LWPSVXSKEKBYQS-NSHDSACASA-N 1 0 386.290 2.161 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21)[NH+](C)C ZINC000658424840 652269805 /nfs/dbraw/zinc/26/98/05/652269805.db2.gz ANXONKWYENFZND-LLVKDONJSA-N 1 0 393.285 2.392 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000624097339 652270013 /nfs/dbraw/zinc/27/00/13/652270013.db2.gz UBTBQDZZFKEJHU-DGCLKSJQSA-N 1 0 378.261 2.318 20 0 GEADRO Brc1ccc(-c2ccnc(N3CCN4CCOC[C@@H]4C3)n2)cc1 ZINC000624100655 652270775 /nfs/dbraw/zinc/27/07/75/652270775.db2.gz ZMKRNVYXQOTVHQ-HNNXBMFYSA-N 1 0 375.270 2.427 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[NH+](C)C ZINC000658428990 652271019 /nfs/dbraw/zinc/27/10/19/652271019.db2.gz UZFKTADUEMRQNQ-VIFPVBQESA-N 1 0 376.682 2.497 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000578441334 652273181 /nfs/dbraw/zinc/27/31/81/652273181.db2.gz PBUIOIAYMNPTCA-DOMZBBRYSA-N 1 0 382.302 2.227 20 0 GEADRO Cc1c([C@H](C)[NH2+]C[C@H]2COCCN2C)nnn1-c1cccc(Br)c1 ZINC000624172852 652274560 /nfs/dbraw/zinc/27/45/60/652274560.db2.gz VOTMBOXGIRSYRE-LRDDRELGSA-N 1 0 394.317 2.319 20 0 GEADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000749962254 652275527 /nfs/dbraw/zinc/27/55/27/652275527.db2.gz SSYGHICNGYEMRC-UHFFFAOYSA-N 1 0 376.935 2.448 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000578532142 652276568 /nfs/dbraw/zinc/27/65/68/652276568.db2.gz CQTOCXMCMBAIEH-AWEZNQCLSA-N 1 0 397.324 2.376 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000624208389 652276592 /nfs/dbraw/zinc/27/65/92/652276592.db2.gz KNAYLLMPNNEDBC-ZDUSSCGKSA-N 1 0 384.318 2.238 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(OC)ccc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000658466109 652276678 /nfs/dbraw/zinc/27/66/78/652276678.db2.gz GBPATUJCMCAXRA-LBPRGKRZSA-N 1 0 398.301 2.339 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(OC)c(Br)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658466811 652277135 /nfs/dbraw/zinc/27/71/35/652277135.db2.gz JGMHNGHIGOWWDG-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO OCc1cn([C@H]2CCC[N@H+](CCOc3ccc(Br)cc3)C2)nn1 ZINC000578555886 652278291 /nfs/dbraw/zinc/27/82/91/652278291.db2.gz XWHZMPUQTAQIQH-HNNXBMFYSA-N 1 0 381.274 2.249 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)c2cccc(Br)c21 ZINC000624281114 652280035 /nfs/dbraw/zinc/28/00/35/652280035.db2.gz ZOCXTPHWQQMFFB-QMTHXVAHSA-N 1 0 388.331 2.078 20 0 GEADRO CC[NH+](CC)CCN(CCS(N)(=O)=O)Cc1ccc(Cl)c(Cl)c1 ZINC000750055425 652280367 /nfs/dbraw/zinc/28/03/67/652280367.db2.gz BPMKKPIKVKXYIU-UHFFFAOYSA-N 1 0 382.357 2.426 20 0 GEADRO CN(CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)CC(F)F ZINC000624327542 652281623 /nfs/dbraw/zinc/28/16/23/652281623.db2.gz FKUBBFYBUSEFKY-LBPRGKRZSA-N 1 0 397.285 2.454 20 0 GEADRO C[C@@H]([NH2+]CCN(C)CC(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624327367 652282108 /nfs/dbraw/zinc/28/21/08/652282108.db2.gz CPKYHCWOWIDZDO-MRVPVSSYSA-N 1 0 390.283 2.488 20 0 GEADRO NC(=O)C[C@@H]([NH2+]Cc1nc2cc(Br)ccc2o1)C1CCOCC1 ZINC000578611549 652282527 /nfs/dbraw/zinc/28/25/27/652282527.db2.gz MNVUOTFMOJFBCD-GFCCVEGCSA-N 1 0 382.258 2.351 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000624357409 652283405 /nfs/dbraw/zinc/28/34/05/652283405.db2.gz QTRRHQVAYVORHZ-MNOVXSKESA-N 1 0 377.279 2.412 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000658534484 652284984 /nfs/dbraw/zinc/28/49/84/652284984.db2.gz DWBQZYVXVLRLGQ-UHFFFAOYSA-N 1 0 375.416 2.300 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000578639506 652285105 /nfs/dbraw/zinc/28/51/05/652285105.db2.gz ZHPWJLSSKMEWGS-WBVHZDCISA-N 1 0 394.313 2.134 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000578650620 652285875 /nfs/dbraw/zinc/28/58/75/652285875.db2.gz AKEDQFKGLRDSID-GHMZBOCLSA-N 1 0 377.869 2.233 20 0 GEADRO CCN(CC[NH3+])S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000624382216 652285994 /nfs/dbraw/zinc/28/59/94/652285994.db2.gz SLAYDNKDJUBZNE-AWEZNQCLSA-N 1 0 376.906 2.257 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCOCC1 ZINC000624387933 652286463 /nfs/dbraw/zinc/28/64/63/652286463.db2.gz GNLUWFVAEIIVAW-UHFFFAOYSA-N 1 0 388.795 2.025 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000624390736 652287001 /nfs/dbraw/zinc/28/70/01/652287001.db2.gz HPAFUAKAASHWHG-GXSJLCMTSA-N 1 0 386.823 2.496 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)CC[C@@H]1C(F)(F)F ZINC000624390712 652287266 /nfs/dbraw/zinc/28/72/66/652287266.db2.gz GQGLMSHHIODAKX-ONGXEEELSA-N 1 0 379.429 2.444 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC[C@H]1C(F)(F)F ZINC000624391553 652288291 /nfs/dbraw/zinc/28/82/91/652288291.db2.gz ZSHMNTXLBOQSPS-VXNVDRBHSA-N 1 0 376.322 2.252 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)CCc2c(F)cccc2F)CC[C@H]1C(F)(F)F ZINC000624391945 652289056 /nfs/dbraw/zinc/28/90/56/652289056.db2.gz HIHZAUBAVBDCBS-CMPLNLGQSA-N 1 0 386.386 2.296 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)CCc2c(F)cccc2F)CC[C@@H]1C(F)(F)F ZINC000624391946 652289184 /nfs/dbraw/zinc/28/91/84/652289184.db2.gz HIHZAUBAVBDCBS-JQWIXIFHSA-N 1 0 386.386 2.296 20 0 GEADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000624398404 652290344 /nfs/dbraw/zinc/29/03/44/652290344.db2.gz FZULINLISYVAGR-UHFFFAOYSA-N 1 0 390.811 2.095 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC2CC[NH2+]CC2)cc1Cl ZINC000578748396 652290365 /nfs/dbraw/zinc/29/03/65/652290365.db2.gz YZDROGDCBGMHCS-UHFFFAOYSA-N 1 0 383.297 2.049 20 0 GEADRO C[C@@H](C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)CN1CCOCC1 ZINC000578759620 652291027 /nfs/dbraw/zinc/29/10/27/652291027.db2.gz AOSVLNOYMBMWNR-DZGCQCFKSA-N 1 0 377.312 2.291 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624405463 652291160 /nfs/dbraw/zinc/29/11/60/652291160.db2.gz KTWNSBKMNCDEIR-MNOVXSKESA-N 1 0 377.304 2.185 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC000624404497 652291196 /nfs/dbraw/zinc/29/11/96/652291196.db2.gz QXTKFIAAPGAJMT-QWRGUYRKSA-N 1 0 397.324 2.437 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624405691 652291518 /nfs/dbraw/zinc/29/15/18/652291518.db2.gz OQHIJBPQHNYACX-OCCSQVGLSA-N 1 0 376.906 2.174 20 0 GEADRO CN(CCOCC[NH3+])S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000624410452 652291980 /nfs/dbraw/zinc/29/19/80/652291980.db2.gz UWWALBJCRFPHDG-UHFFFAOYSA-N 1 0 394.337 2.320 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000578769510 652292254 /nfs/dbraw/zinc/29/22/54/652292254.db2.gz VQFBSKVDHUFEJK-CQSZACIVSA-N 1 0 386.901 2.279 20 0 GEADRO Cc1cc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)sc1Br ZINC000624412278 652292397 /nfs/dbraw/zinc/29/23/97/652292397.db2.gz RQCVKWYAYVFZJT-BETUJISGSA-N 1 0 379.345 2.439 20 0 GEADRO OC[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000578821915 652296508 /nfs/dbraw/zinc/29/65/08/652296508.db2.gz LVATWRWRQLOCOY-GOEBONIOSA-N 1 0 376.266 2.469 20 0 GEADRO CC(C)(CNS(=O)(=O)c1cccnc1OCC(F)F)[NH+]1CCCCC1 ZINC000624843035 652306191 /nfs/dbraw/zinc/30/61/91/652306191.db2.gz MBOCFAXPDAKAKP-UHFFFAOYSA-N 1 0 377.457 2.268 20 0 GEADRO COc1ccc(Br)c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000578988072 652309102 /nfs/dbraw/zinc/30/91/02/652309102.db2.gz FMBNJUZZCCJIKM-LBPRGKRZSA-N 1 0 383.286 2.285 20 0 GEADRO COC1CC[NH+](CCNC(=O)c2cc(Br)cnc2Cl)CC1 ZINC000750860951 652312304 /nfs/dbraw/zinc/31/23/04/652312304.db2.gz MSHQXSMYJYLPDR-UHFFFAOYSA-N 1 0 376.682 2.338 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2C)C1 ZINC000658777156 652312536 /nfs/dbraw/zinc/31/25/36/652312536.db2.gz DXFQVYAZJPVKOW-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1cccnc1OCC(F)F ZINC000624961225 652314783 /nfs/dbraw/zinc/31/47/83/652314783.db2.gz OZVKABJKTULEOV-STQMWFEESA-N 1 0 377.457 2.267 20 0 GEADRO Cn1cc(Br)c(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000579082733 652316285 /nfs/dbraw/zinc/31/62/85/652316285.db2.gz JVUFTDHVKMKLKL-CQSZACIVSA-N 1 0 392.301 2.106 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000750976634 652316991 /nfs/dbraw/zinc/31/69/91/652316991.db2.gz BUTLOUPHAHIBPY-LBPRGKRZSA-N 1 0 389.905 2.064 20 0 GEADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000579098375 652317401 /nfs/dbraw/zinc/31/74/01/652317401.db2.gz ZGUBRWOGCGNTBD-NSHDSACASA-N 1 0 385.295 2.054 20 0 GEADRO CNC(=O)C1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625059441 652321918 /nfs/dbraw/zinc/32/19/18/652321918.db2.gz IQTVUOZAAWLBHA-OAHLLOKOSA-N 1 0 380.286 2.160 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc(Sc2ccccc2)c1 ZINC000625082689 652325487 /nfs/dbraw/zinc/32/54/87/652325487.db2.gz MIDACPDTOMOZKA-SFHVURJKSA-N 1 0 380.535 2.429 20 0 GEADRO CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625160323 652327359 /nfs/dbraw/zinc/32/73/59/652327359.db2.gz JTAXNUUJYSSVRQ-WFASDCNBSA-N 1 0 380.286 2.160 20 0 GEADRO [NH3+][C@H]1C[C@H]2CN(Cc3cc(Br)cc(C(F)(F)F)c3)CCN2C1=O ZINC000579259032 652329106 /nfs/dbraw/zinc/32/91/06/652329106.db2.gz IEIVADZFPDPIBS-STQMWFEESA-N 1 0 392.219 2.212 20 0 GEADRO Brc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc2c1OCCO2 ZINC000579342609 652332491 /nfs/dbraw/zinc/33/24/91/652332491.db2.gz WVOCJFYGBKVZPP-HOTGVXAUSA-N 1 0 383.286 2.077 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625217409 652332605 /nfs/dbraw/zinc/33/26/05/652332605.db2.gz HTHVRUWPHBTEEY-UHFFFAOYSA-N 1 0 376.469 2.395 20 0 GEADRO COc1cc(NC(=O)NC[C@H]2C[NH2+]CCO2)c(Cl)cc1Br ZINC000659047668 652337937 /nfs/dbraw/zinc/33/79/37/652337937.db2.gz JHBBEAUDGUEHLN-MRVPVSSYSA-N 1 0 378.654 2.221 20 0 GEADRO COc1cc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c(Cl)cc1Br ZINC000659047673 652337959 /nfs/dbraw/zinc/33/79/59/652337959.db2.gz JMVGFWIYIOQEAV-VIFPVBQESA-N 1 0 391.697 2.218 20 0 GEADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000579470150 652340199 /nfs/dbraw/zinc/34/01/99/652340199.db2.gz WGFSOFCKTYAQAY-SUNYJGFJSA-N 1 0 397.313 2.085 20 0 GEADRO CN1C(=O)C[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579479433 652340835 /nfs/dbraw/zinc/34/08/35/652340835.db2.gz QHIORVVWEFOILH-MRCXROJRSA-N 1 0 377.794 2.097 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000659079936 652341059 /nfs/dbraw/zinc/34/10/59/652341059.db2.gz YWVMLCRYYIEYRD-LBPRGKRZSA-N 1 0 394.313 2.141 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)n1 ZINC000579489882 652341738 /nfs/dbraw/zinc/34/17/38/652341738.db2.gz GKLWZFYUXKLHIF-UHFFFAOYSA-N 1 0 381.933 2.118 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[C@H]1F ZINC000659109345 652344447 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O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000625471891 652348237 /nfs/dbraw/zinc/34/82/37/652348237.db2.gz RAPITPBOBOZBSU-RCBQFDQVSA-N 1 0 383.286 2.080 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000579693089 652350593 /nfs/dbraw/zinc/35/05/93/652350593.db2.gz KYWUSGXLCGMTIS-UHFFFAOYSA-N 1 0 396.329 2.304 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000579743279 652351908 /nfs/dbraw/zinc/35/19/08/652351908.db2.gz MIAJZDNRRWSNIP-CABCVRRESA-N 1 0 388.917 2.451 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]([NH3+])COC(C)C)ccc1Cl ZINC000659282781 652352936 /nfs/dbraw/zinc/35/29/36/652352936.db2.gz XOEKRELLYAGOEY-AWEZNQCLSA-N 1 0 391.921 2.061 20 0 GEADRO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)s1 ZINC000659351626 652354557 /nfs/dbraw/zinc/35/45/57/652354557.db2.gz JUJWKHLECIYCJD-ZIAGYGMSSA-N 1 0 382.482 2.166 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659359990 652355014 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C[C@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000659673327 652363040 /nfs/dbraw/zinc/36/30/40/652363040.db2.gz ABAPIRQPTZCZPG-HOCOFYGGSA-N 1 0 380.222 2.207 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659673668 652363114 /nfs/dbraw/zinc/36/31/14/652363114.db2.gz FKLYEDPLHRUNOR-IOASZLSFSA-N 1 0 396.329 2.082 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000625634484 652363478 /nfs/dbraw/zinc/36/34/78/652363478.db2.gz RHRJDHHKDCNEOG-LBPRGKRZSA-N 1 0 377.432 2.324 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)c1ccc(Cl)c(Cl)c1 ZINC000659696703 652363751 /nfs/dbraw/zinc/36/37/51/652363751.db2.gz OXZYKYSIATYVGW-UHFFFAOYSA-N 1 0 384.307 2.337 20 0 GEADRO CC[NH+]1C[C@@H](C)N(C(=O)CN(C)C(=O)c2ccc(Br)o2)[C@H](C)C1 ZINC000580122347 652367576 /nfs/dbraw/zinc/36/75/76/652367576.db2.gz WOMPPVSTBGQSMU-VXGBXAGGSA-N 1 0 386.290 2.055 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 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CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000660108256 652387132 /nfs/dbraw/zinc/38/71/32/652387132.db2.gz ROWCHIWURSXAFJ-UHFFFAOYSA-N 1 0 387.571 2.051 20 0 GEADRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@H](C)C1 ZINC000580658894 652387306 /nfs/dbraw/zinc/38/73/06/652387306.db2.gz OXEGLOMPQUORSL-GHMZBOCLSA-N 1 0 396.285 2.335 20 0 GEADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCn2cc(Br)cn2)C[C@@H](C)C1 ZINC000580720917 652389795 /nfs/dbraw/zinc/38/97/95/652389795.db2.gz SSISTDKLYHNRSC-YDHLFZDLSA-N 1 0 384.322 2.017 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000580722514 652389990 /nfs/dbraw/zinc/38/99/90/652389990.db2.gz AAJKPXKAYCJDPA-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000660156289 652390903 /nfs/dbraw/zinc/39/09/03/652390903.db2.gz FQMAIMJFCGNGOV-CQSZACIVSA-N 1 0 391.331 2.180 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000580755469 652391285 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CSc1nnc(CCCNC(=O)C[C@@H]2CSCC[NH2+]2)n1C1CCCC1 ZINC000629598049 652494923 /nfs/dbraw/zinc/49/49/23/652494923.db2.gz HFJYEMJPBIDYPW-CYBMUJFWSA-N 1 0 383.587 2.259 20 0 GEADRO O[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1ccc(Br)cc1 ZINC000663363346 652495152 /nfs/dbraw/zinc/49/51/52/652495152.db2.gz JTDJVMAGNJFMAS-SJORKVTESA-N 1 0 399.329 2.032 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000629821900 652495497 /nfs/dbraw/zinc/49/54/97/652495497.db2.gz MSNXSYYCINMMMU-TZMCWYRMSA-N 1 0 394.313 2.103 20 0 GEADRO CCCN1CC[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000663365719 652495611 /nfs/dbraw/zinc/49/56/11/652495611.db2.gz RKLPKLKACHZEEY-CABCVRRESA-N 1 0 375.282 2.402 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccnc(Br)c3)CC2)CC1 ZINC000756380086 652497400 /nfs/dbraw/zinc/49/74/00/652497400.db2.gz SKIAQBQGQLOPKR-UHFFFAOYSA-N 1 0 395.345 2.334 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2=O)ccc1Br ZINC000629982756 652500589 /nfs/dbraw/zinc/50/05/89/652500589.db2.gz WMVGTORHAINVBC-INIZCTEOSA-N 1 0 394.313 2.463 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C[C@@H]1[NH3+] ZINC000583982591 652504665 /nfs/dbraw/zinc/50/46/65/652504665.db2.gz ISIQRJCVZOCXJB-ABAIWWIYSA-N 1 0 395.301 2.496 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C[C@H]1[NH3+] ZINC000583982594 652504728 /nfs/dbraw/zinc/50/47/28/652504728.db2.gz ISIQRJCVZOCXJB-XHDPSFHLSA-N 1 0 395.301 2.496 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)CC(F)(F)F)CC2)cc1 ZINC000583989349 652504811 /nfs/dbraw/zinc/50/48/11/652504811.db2.gz YELPLTXFNPBRJT-CQSZACIVSA-N 1 0 380.432 2.051 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)C1CC[NH2+]CC1 ZINC000663602644 652505223 /nfs/dbraw/zinc/50/52/23/652505223.db2.gz CTXDZTRJHRMOGM-UHFFFAOYSA-N 1 0 379.766 2.388 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)C(F)(F)F ZINC000663604858 652505796 /nfs/dbraw/zinc/50/57/96/652505796.db2.gz HFTKAUBKLTTWQL-QMMMGPOBSA-N 1 0 393.671 2.183 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)C(F)(F)F ZINC000663604856 652505833 /nfs/dbraw/zinc/50/58/33/652505833.db2.gz HFTKAUBKLTTWQL-MRVPVSSYSA-N 1 0 393.671 2.183 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000584009991 652505959 /nfs/dbraw/zinc/50/59/59/652505959.db2.gz WDVNQNBTVXDVBA-VNHYZAJKSA-N 1 0 387.318 2.017 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000584025061 652506549 /nfs/dbraw/zinc/50/65/49/652506549.db2.gz MAELGUGSRYNGDN-UHFFFAOYSA-N 1 0 389.949 2.199 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000584047823 652507238 /nfs/dbraw/zinc/50/72/38/652507238.db2.gz GIWWOTVZHYINKZ-UHFFFAOYSA-N 1 0 389.315 2.114 20 0 GEADRO Brc1ccc2nnc(NC3CC[NH+](C[C@H]4CCOC4)CC3)n2c1 ZINC000663634974 652507384 /nfs/dbraw/zinc/50/73/84/652507384.db2.gz IORKUBDZJXWLSE-GFCCVEGCSA-N 1 0 380.290 2.405 20 0 GEADRO C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584077069 652508269 /nfs/dbraw/zinc/50/82/69/652508269.db2.gz YUQBDPMVJIRTPY-DVOMOZLQSA-N 1 0 383.945 2.411 20 0 GEADRO C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584077071 652508452 /nfs/dbraw/zinc/50/84/52/652508452.db2.gz YUQBDPMVJIRTPY-WWGRRREGSA-N 1 0 383.945 2.411 20 0 GEADRO O=C(NCc1cc(Br)cs1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663705710 652509769 /nfs/dbraw/zinc/50/97/69/652509769.db2.gz YYPDNCCKCMZFHN-ZDUSSCGKSA-N 1 0 388.331 2.251 20 0 GEADRO Cn1nnc2c1ncnc2N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000663713889 652510068 /nfs/dbraw/zinc/51/00/68/652510068.db2.gz HTZVXZDQGCJEHG-UHFFFAOYSA-N 1 0 390.289 2.089 20 0 GEADRO CCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCC[NH2+]CC1 ZINC000584123170 652510189 /nfs/dbraw/zinc/51/01/89/652510189.db2.gz NJPUBRUGGIZALD-GFCCVEGCSA-N 1 0 393.962 2.013 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cn1 ZINC000630458144 652510431 /nfs/dbraw/zinc/51/04/31/652510431.db2.gz DWVLRGXVFKTYNQ-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000584137805 652510630 /nfs/dbraw/zinc/51/06/30/652510630.db2.gz GBAZRDVNHWCJAX-CQSZACIVSA-N 1 0 386.334 2.216 20 0 GEADRO Cn1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)n1 ZINC000584170485 652511838 /nfs/dbraw/zinc/51/18/38/652511838.db2.gz TZLSSDUGBLLGCN-UHFFFAOYSA-N 1 0 382.917 2.360 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1cccc(Cl)c1Cl ZINC000663859608 652513584 /nfs/dbraw/zinc/51/35/84/652513584.db2.gz XIHLLEOVBXEIOI-UHFFFAOYSA-N 1 0 375.300 2.155 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000584283579 652514938 /nfs/dbraw/zinc/51/49/38/652514938.db2.gz JIPILAXQJRHHGK-UHFFFAOYSA-N 1 0 384.318 2.256 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000663937453 652517118 /nfs/dbraw/zinc/51/71/18/652517118.db2.gz HUTGIZPOFMBXCB-AWEZNQCLSA-N 1 0 378.300 2.246 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C3(C[NH3+])CCC3)s2)CC1 ZINC000584345605 652517368 /nfs/dbraw/zinc/51/73/68/652517368.db2.gz GJERFFFRDBERSW-UHFFFAOYSA-N 1 0 385.555 2.122 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000584375763 652518934 /nfs/dbraw/zinc/51/89/34/652518934.db2.gz HGBUNMITINWYOQ-AWEZNQCLSA-N 1 0 387.571 2.383 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)ccc1Cl ZINC000631049120 652519241 /nfs/dbraw/zinc/51/92/41/652519241.db2.gz AKXQVOAMYBJTKT-CQSZACIVSA-N 1 0 386.876 2.067 20 0 GEADRO Cn1nc2c(c1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)CCCC2 ZINC000631054223 652519563 /nfs/dbraw/zinc/51/95/63/652519563.db2.gz SDFZKZIHTSMDLZ-UHFFFAOYSA-N 1 0 382.917 2.020 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000631100512 652520035 /nfs/dbraw/zinc/52/00/35/652520035.db2.gz WSZRDMVGIJIMNF-SNVBAGLBSA-N 1 0 381.723 2.474 20 0 GEADRO C[NH+](C)C1CN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000757673281 652520280 /nfs/dbraw/zinc/52/02/80/652520280.db2.gz BFHATRLVKXKYAP-UHFFFAOYSA-N 1 0 378.068 2.384 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000584505246 652523350 /nfs/dbraw/zinc/52/33/50/652523350.db2.gz JVBOZCXFGFLXDJ-UHFFFAOYSA-N 1 0 378.318 2.094 20 0 GEADRO O=C(Nc1ccc(-c2ccc(Br)s2)nn1)N[C@@H]1CCC[NH2+]C1 ZINC000584517728 652523843 /nfs/dbraw/zinc/52/38/43/652523843.db2.gz JMBGJHDFCZQWOG-SECBINFHSA-N 1 0 382.287 2.841 20 0 GEADRO C[NH2+]Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000584780075 652528993 /nfs/dbraw/zinc/52/89/93/652528993.db2.gz BELPRHRYMMYEOF-UHFFFAOYSA-N 1 0 387.914 2.380 20 0 GEADRO COc1ccc(Br)cc1CN(C)S(=O)(=O)CCC[NH+](C)C ZINC000631652231 652529610 /nfs/dbraw/zinc/52/96/10/652529610.db2.gz JEBYXGFFKQNBRC-UHFFFAOYSA-N 1 0 379.320 2.171 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1F ZINC000584820350 652530608 /nfs/dbraw/zinc/53/06/08/652530608.db2.gz YDQAYRWNBMZLGW-ZDUSSCGKSA-N 1 0 376.881 2.449 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(c3ncc4scc(Br)c4n3)CC2)C1 ZINC000664598378 652531402 /nfs/dbraw/zinc/53/14/02/652531402.db2.gz UAHNYOUPFAGWFH-NSHDSACASA-N 1 0 383.315 2.489 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCOc1cccc(C(F)(F)F)n1 ZINC000758255541 652535277 /nfs/dbraw/zinc/53/52/77/652535277.db2.gz CKWFWMGOTIKXFD-LBPRGKRZSA-N 1 0 376.448 2.428 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000631814558 652536312 /nfs/dbraw/zinc/53/63/12/652536312.db2.gz AYCMSLIXFMROJP-UHFFFAOYSA-N 1 0 380.341 2.050 20 0 GEADRO Cc1cccc(CNC(=O)NCCN(C)CCC[NH+](C)C)c1Br ZINC000664728342 652536891 /nfs/dbraw/zinc/53/68/91/652536891.db2.gz AOFVWWKFAYAKJF-UHFFFAOYSA-N 1 0 385.350 2.440 20 0 GEADRO COC(=O)c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000585766404 652537447 /nfs/dbraw/zinc/53/74/47/652537447.db2.gz PXGFWLWKBVEQCT-IAGOWNOFSA-N 1 0 397.313 2.267 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COc1ccc(C=O)cc1Br ZINC000758335495 652537471 /nfs/dbraw/zinc/53/74/71/652537471.db2.gz PADJWYDYBHZGEA-XHDPSFHLSA-N 1 0 381.270 2.239 20 0 GEADRO COC(=O)c1ccc(CN2CC[N@H+](CCO)C(C)(C)C2)c(Br)c1 ZINC000585767389 652537530 /nfs/dbraw/zinc/53/75/30/652537530.db2.gz IELCKACOTOLCIV-UHFFFAOYSA-N 1 0 385.302 2.124 20 0 GEADRO O=S(=O)(CCN1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1cccc(Br)c1 ZINC000631887407 652537938 /nfs/dbraw/zinc/53/79/38/652537938.db2.gz NICOFGFWMPLJQV-CJNGLKHVSA-N 1 0 387.343 2.297 20 0 GEADRO C[C@H](CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[NH+](C)C ZINC000664767297 652538188 /nfs/dbraw/zinc/53/81/88/652538188.db2.gz KNOIIWPZUASKHW-IUODEOHRSA-N 1 0 397.317 2.194 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000631894855 652538551 /nfs/dbraw/zinc/53/85/51/652538551.db2.gz FTEIDMSQUICFHM-LBPRGKRZSA-N 1 0 380.436 2.078 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000586583886 652539180 /nfs/dbraw/zinc/53/91/80/652539180.db2.gz OLVZGLPDSSHGJT-UHFFFAOYSA-N 1 0 381.885 2.432 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cnc3c(Br)csc3c2)CC[C@@H]1[NH3+] ZINC000631905821 652539869 /nfs/dbraw/zinc/53/98/69/652539869.db2.gz WAUBTERMPKAQGO-KCJUWKMLSA-N 1 0 390.328 2.417 20 0 GEADRO Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)C[C@@H]3C[NH2+]CCO3)cc2)cs1 ZINC000631911410 652540500 /nfs/dbraw/zinc/54/05/00/652540500.db2.gz FDRWBPLGGDBCOT-WBMJQRKESA-N 1 0 381.523 2.087 20 0 GEADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)Cc1ncsc1Br ZINC000631932164 652541530 /nfs/dbraw/zinc/54/15/30/652541530.db2.gz MOLCPTYBZBCTTA-CABZTGNLSA-N 1 0 382.349 2.233 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631932662 652541769 /nfs/dbraw/zinc/54/17/69/652541769.db2.gz XJRFTIGFKHJJMW-DTWKUNHWSA-N 1 0 390.328 2.417 20 0 GEADRO O=C(NCCSCc1ccnc(Cl)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000758456300 652542709 /nfs/dbraw/zinc/54/27/09/652542709.db2.gz QXIKCQQUGBFPFO-CABCVRRESA-N 1 0 384.933 2.131 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000631943441 652543163 /nfs/dbraw/zinc/54/31/63/652543163.db2.gz WPMFNSWFEHQZHB-UHFFFAOYSA-N 1 0 382.452 2.373 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1Cl ZINC000631973902 652543592 /nfs/dbraw/zinc/54/35/92/652543592.db2.gz REPBEOLSBWKXBL-HTQZYQBOSA-N 1 0 383.695 2.221 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000631973903 652543655 /nfs/dbraw/zinc/54/36/55/652543655.db2.gz REPBEOLSBWKXBL-JGVFFNPUSA-N 1 0 383.695 2.221 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)Cc2ncsc2Br)C1 ZINC000631977733 652543817 /nfs/dbraw/zinc/54/38/17/652543817.db2.gz MCJRPMQLQFIBHH-SECBINFHSA-N 1 0 382.349 2.103 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631989887 652545342 /nfs/dbraw/zinc/54/53/42/652545342.db2.gz AWDVJGCFXPXCID-INIZCTEOSA-N 1 0 387.977 2.170 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ncsc2Br)C1 ZINC000632047077 652546592 /nfs/dbraw/zinc/54/65/92/652546592.db2.gz BRLKJFOCELRCIX-NSHDSACASA-N 1 0 396.376 2.399 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ncsc1Br ZINC000632080423 652549924 /nfs/dbraw/zinc/54/99/24/652549924.db2.gz XFGUPTKKUXXOFU-SNVBAGLBSA-N 1 0 382.349 2.199 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@@H]2CCCOc3ccc(Br)cc32)n1 ZINC000665291694 652550241 /nfs/dbraw/zinc/55/02/41/652550241.db2.gz IFVUIYRYCCMZAX-CYBMUJFWSA-N 1 0 379.258 2.407 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cscc1Br ZINC000632085698 652550584 /nfs/dbraw/zinc/55/05/84/652550584.db2.gz SDEUJIIEQJSTLW-JTQLQIEISA-N 1 0 385.349 2.146 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000589177891 652561316 /nfs/dbraw/zinc/56/13/16/652561316.db2.gz SBNWMZYRAILZHX-QWRGUYRKSA-N 1 0 390.347 2.475 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCc1c2ccccc2sc1C(=O)OC ZINC000589278817 652564436 /nfs/dbraw/zinc/56/44/36/652564436.db2.gz VFXMBWOPZLZCNE-UHFFFAOYSA-N 1 0 384.523 2.449 20 0 GEADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3c(F)cncc3Br)CC2)CC1 ZINC000632463799 652564753 /nfs/dbraw/zinc/56/47/53/652564753.db2.gz WSRCGGGMZNCEEF-BETUJISGSA-N 1 0 399.308 2.272 20 0 GEADRO CC(C)[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C(=O)N1CCCC1 ZINC000666100277 652566825 /nfs/dbraw/zinc/56/68/25/652566825.db2.gz BMLYBUULUPYXEI-CJNGLKHVSA-N 1 0 384.318 2.236 20 0 GEADRO C[C@H](O)CN1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)[C@H](C)C1 ZINC000632566566 652566961 /nfs/dbraw/zinc/56/69/61/652566961.db2.gz GEKTTXYPAUGPBF-HGBDLFLASA-N 1 0 393.325 2.248 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000666318096 652570958 /nfs/dbraw/zinc/57/09/58/652570958.db2.gz WSKYBBFUSQQJAU-GFCCVEGCSA-N 1 0 393.289 2.029 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(I)c(F)cc3F)[C@@H]2C1 ZINC000590045309 652573380 /nfs/dbraw/zinc/57/33/80/652573380.db2.gz PAUUQGGTBSXDKD-AMIZOPFISA-N 1 0 392.187 2.346 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+][C@H](C)c2ccc(F)c(Br)c2)nn1 ZINC000590193844 652576148 /nfs/dbraw/zinc/57/61/48/652576148.db2.gz VAHFWUNTAFSTMX-SNVBAGLBSA-N 1 0 385.237 2.246 20 0 GEADRO COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000590242878 652577337 /nfs/dbraw/zinc/57/73/37/652577337.db2.gz AAAZDVIUFUHVJP-YPMHNXCESA-N 1 0 393.265 2.434 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)CCCC[NH+](C)C)c1 ZINC000590749221 652580030 /nfs/dbraw/zinc/58/00/30/652580030.db2.gz UKTXURMSQIJCTG-UHFFFAOYSA-N 1 0 376.906 2.397 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000632842929 652581398 /nfs/dbraw/zinc/58/13/98/652581398.db2.gz ZKMPQUOXQJXXFG-UHFFFAOYSA-N 1 0 392.301 2.040 20 0 GEADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632879062 652581738 /nfs/dbraw/zinc/58/17/38/652581738.db2.gz VJKRNTMFSVLFCD-RISCZKNCSA-N 1 0 381.270 2.434 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000592090949 652584966 /nfs/dbraw/zinc/58/49/66/652584966.db2.gz IIVOIZGQLXZSLD-ZDUSSCGKSA-N 1 0 399.285 2.061 20 0 GEADRO C[NH+](C)C1(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000666738780 652586164 /nfs/dbraw/zinc/58/61/64/652586164.db2.gz JQSBMNDPOSAWJZ-LBPRGKRZSA-N 1 0 395.301 2.115 20 0 GEADRO C[C@@H]1C[NH+](C[C@@H](O)CN(C)Cc2cc(Br)ccc2F)C[C@@H](C)O1 ZINC000592389934 652593293 /nfs/dbraw/zinc/59/32/93/652593293.db2.gz CMXLDXSKBSZESW-IOASZLSFSA-N 1 0 389.309 2.490 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000667133406 652593390 /nfs/dbraw/zinc/59/33/90/652593390.db2.gz YXFRYOWHCJQKOU-NVXWUHKLSA-N 1 0 386.334 2.382 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000633427863 652596420 /nfs/dbraw/zinc/59/64/20/652596420.db2.gz HNXGOWJTBYUHBH-ZDUSSCGKSA-N 1 0 384.322 2.056 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000633428160 652596523 /nfs/dbraw/zinc/59/65/23/652596523.db2.gz KYKZFLLWZQZIQP-SWLSCSKDSA-N 1 0 396.333 2.341 20 0 GEADRO O=C(CCC(=O)c1ccc(I)cc1)NCC[NH2+]C1CC1 ZINC000592468025 652597035 /nfs/dbraw/zinc/59/70/35/652597035.db2.gz OZVNJJROAAOZEZ-UHFFFAOYSA-N 1 0 386.233 2.122 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000592490940 652597399 /nfs/dbraw/zinc/59/73/99/652597399.db2.gz FOKUWBUWKBONJQ-CYBMUJFWSA-N 1 0 394.686 2.422 20 0 GEADRO CC(C)[C@H]1CN(CC(=O)Nc2ccccc2I)CC[NH2+]1 ZINC000592485187 652597489 /nfs/dbraw/zinc/59/74/89/652597489.db2.gz QSQBDAUZJNUUHL-CQSZACIVSA-N 1 0 387.265 2.160 20 0 GEADRO COc1ccc(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1Br ZINC000592519441 652598234 /nfs/dbraw/zinc/59/82/34/652598234.db2.gz PKXGJGPFLBCTAW-GFCCVEGCSA-N 1 0 393.285 2.420 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667259784 652599143 /nfs/dbraw/zinc/59/91/43/652599143.db2.gz RUZGYNOLQXFCRQ-MRVPVSSYSA-N 1 0 392.656 2.296 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000667294285 652600212 /nfs/dbraw/zinc/60/02/12/652600212.db2.gz FXPWDXVWWASRQC-UHFFFAOYSA-N 1 0 379.766 2.088 20 0 GEADRO CC[C@H](NC(C)=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000633492461 652600549 /nfs/dbraw/zinc/60/05/49/652600549.db2.gz OBVUCMLJCWDDAH-AWEZNQCLSA-N 1 0 399.333 2.300 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667311491 652601081 /nfs/dbraw/zinc/60/10/81/652601081.db2.gz SZYDELOQIRDUIG-MRVPVSSYSA-N 1 0 392.656 2.296 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000667343600 652601913 /nfs/dbraw/zinc/60/19/13/652601913.db2.gz YIGYKUMYFPHGCT-CPCISQLKSA-N 1 0 392.656 2.376 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)C1CC1 ZINC000667362396 652602113 /nfs/dbraw/zinc/60/21/13/652602113.db2.gz KBQIEUATYXKRLZ-LLVKDONJSA-N 1 0 378.629 2.034 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N[C@@H]1CCC[NH2+]CC1 ZINC000667374756 652602594 /nfs/dbraw/zinc/60/25/94/652602594.db2.gz LZKHVTXVWFSLRD-GFCCVEGCSA-N 1 0 379.262 2.293 20 0 GEADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CC1CS(=O)(=O)C1 ZINC000633624241 652604452 /nfs/dbraw/zinc/60/44/52/652604452.db2.gz FHISTPOCLGREOT-UHFFFAOYSA-N 1 0 386.945 2.445 20 0 GEADRO CO[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000667427575 652605406 /nfs/dbraw/zinc/60/54/06/652605406.db2.gz JTNJRMBKLZIWLC-RDJZCZTQSA-N 1 0 399.329 2.391 20 0 GEADRO COc1cc(OC)c(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000667436285 652605660 /nfs/dbraw/zinc/60/56/60/652605660.db2.gz MECPZISGDLXBOD-LKFCYVNXSA-N 1 0 388.262 2.046 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)CCO1 ZINC000633649774 652605718 /nfs/dbraw/zinc/60/57/18/652605718.db2.gz ADWZZUWCLSXRLV-HERUPUMHSA-N 1 0 386.265 2.333 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000667458440 652606364 /nfs/dbraw/zinc/60/63/64/652606364.db2.gz IUEIHJZFZQPOKR-SFYZADRCSA-N 1 0 392.656 2.389 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667453072 652606378 /nfs/dbraw/zinc/60/63/78/652606378.db2.gz QRZXYJSUUBVDJH-QWRGUYRKSA-N 1 0 375.416 2.475 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000592878247 652606695 /nfs/dbraw/zinc/60/66/95/652606695.db2.gz CDCIRFBMUQHEQZ-LBPRGKRZSA-N 1 0 379.302 2.296 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(F)cc1Br ZINC000667473099 652607054 /nfs/dbraw/zinc/60/70/54/652607054.db2.gz OQCSLADSGXCHEU-KWBADKCTSA-N 1 0 384.249 2.031 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000667515249 652609684 /nfs/dbraw/zinc/60/96/84/652609684.db2.gz HUMCZNJAXAPIJS-UHFFFAOYSA-N 1 0 376.201 2.006 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[NH2+]1 ZINC000667517386 652609878 /nfs/dbraw/zinc/60/98/78/652609878.db2.gz DNWLOPQBHYZHBA-GFCCVEGCSA-N 1 0 375.803 2.336 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[NH2+]1 ZINC000667519392 652610222 /nfs/dbraw/zinc/61/02/22/652610222.db2.gz ATYYJSMSUGAXQG-GFCCVEGCSA-N 1 0 375.803 2.336 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(F)cc1Br ZINC000667535870 652611116 /nfs/dbraw/zinc/61/11/16/652611116.db2.gz TWJRZCSPRBXUFT-YGRLFVJLSA-N 1 0 384.249 2.046 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667538455 652611129 /nfs/dbraw/zinc/61/11/29/652611129.db2.gz DURMEGRBHOYSRH-OCCSQVGLSA-N 1 0 380.286 2.215 20 0 GEADRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=S)NCC1CC[NH+](C)CC1 ZINC000760499555 652611619 /nfs/dbraw/zinc/61/16/19/652611619.db2.gz LNDDGNLMWKABRN-INIZCTEOSA-N 1 0 383.583 2.045 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)cc1Br ZINC000667544646 652611841 /nfs/dbraw/zinc/61/18/41/652611841.db2.gz BTCNDFGPSDEGCV-BXUZGUMPSA-N 1 0 398.301 2.372 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667542195 652611906 /nfs/dbraw/zinc/61/19/06/652611906.db2.gz MXIXFOLXQULMLM-BZNIZROVSA-N 1 0 392.297 2.087 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000667549957 652612991 /nfs/dbraw/zinc/61/29/91/652612991.db2.gz CAXNLOFUYBJJNN-AAEUAGOBSA-N 1 0 398.301 2.372 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000667583780 652614009 /nfs/dbraw/zinc/61/40/09/652614009.db2.gz JHLIMDIHRMRGEH-UWVGGRQHSA-N 1 0 379.766 2.038 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000667586357 652614316 /nfs/dbraw/zinc/61/43/16/652614316.db2.gz WKWTZYPRJPOGCV-WPRPVWTQSA-N 1 0 378.231 2.099 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633784017 652614391 /nfs/dbraw/zinc/61/43/91/652614391.db2.gz WKNQCJROBZPGDU-QQDQCYIDSA-N 1 0 379.298 2.172 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000593313326 652616689 /nfs/dbraw/zinc/61/66/89/652616689.db2.gz HRXSKBRPYDHMHC-CQSZACIVSA-N 1 0 389.924 2.270 20 0 GEADRO C[C@H](NC(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1ncc(Br)cn1 ZINC000667802576 652619923 /nfs/dbraw/zinc/61/99/23/652619923.db2.gz VERRLCHVRRXVKY-VIFPVBQESA-N 1 0 377.246 2.163 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000668044543 652627767 /nfs/dbraw/zinc/62/77/67/652627767.db2.gz UQCNNULCYFHXFI-UHFFFAOYSA-N 1 0 378.217 2.306 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000668143479 652630180 /nfs/dbraw/zinc/63/01/80/652630180.db2.gz WVWZCEOWGTXMAT-DGCLKSJQSA-N 1 0 379.309 2.429 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000668150555 652630586 /nfs/dbraw/zinc/63/05/86/652630586.db2.gz WEWWKNMQXJNWHI-AWEZNQCLSA-N 1 0 387.933 2.161 20 0 GEADRO C[NH+]1CCC(n2cc(NC(=O)Cc3cc[nH]c(=O)c3Br)cn2)CC1 ZINC000634096330 652630777 /nfs/dbraw/zinc/63/07/77/652630777.db2.gz UQAPLJQOHUIAOZ-UHFFFAOYSA-N 1 0 394.273 2.194 20 0 GEADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1sccc1S(N)(=O)=O)c1ccccc1 ZINC000668181971 652631739 /nfs/dbraw/zinc/63/17/39/652631739.db2.gz WNGVZQOLOROZLW-GFCCVEGCSA-N 1 0 381.523 2.255 20 0 GEADRO CCCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000668224013 652633520 /nfs/dbraw/zinc/63/35/20/652633520.db2.gz AAFCQOLPWDTCMS-CQSZACIVSA-N 1 0 375.579 2.252 20 0 GEADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C3SCCS3)cc2)CC1 ZINC000761156570 652634649 /nfs/dbraw/zinc/63/46/49/652634649.db2.gz QRNPJQIOCHNVKP-UHFFFAOYSA-N 1 0 379.551 2.171 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000668365392 652640367 /nfs/dbraw/zinc/64/03/67/652640367.db2.gz IQYZSYDSPGABDN-IUODEOHRSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000594177780 652642153 /nfs/dbraw/zinc/64/21/53/652642153.db2.gz TVESQQBRVXXWNK-VXGBXAGGSA-N 1 0 386.290 2.151 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCOc2ccc(Br)cc21)CC1(O)CCOCC1 ZINC000634643742 652645949 /nfs/dbraw/zinc/64/59/49/652645949.db2.gz HRTOCLDPVPULCH-ZFWWWQNUSA-N 1 0 386.286 2.155 20 0 GEADRO C[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)C[C@H]1COCCO1 ZINC000668544716 652646615 /nfs/dbraw/zinc/64/66/15/652646615.db2.gz FWWYELOUTZUBDB-INIZCTEOSA-N 1 0 385.302 2.133 20 0 GEADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cc(Br)ccc1C(N)=O ZINC000634652496 652647207 /nfs/dbraw/zinc/64/72/07/652647207.db2.gz SDCPLIRKWQRYJU-OAHLLOKOSA-N 1 0 393.281 2.420 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(Br)c2cccnc12 ZINC000668558942 652647546 /nfs/dbraw/zinc/64/75/46/652647546.db2.gz VXIVAMVTIUOFTM-UHFFFAOYSA-N 1 0 393.329 2.449 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000761504583 652649600 /nfs/dbraw/zinc/64/96/00/652649600.db2.gz NPQFFWCAWVXUOF-ZDUSSCGKSA-N 1 0 389.974 2.192 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c1F ZINC000594442744 652649772 /nfs/dbraw/zinc/64/97/72/652649772.db2.gz IQTSKWCFYZXKQW-SNVBAGLBSA-N 1 0 378.853 2.028 20 0 GEADRO C[NH+]1CCC(CNC(=S)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000761502874 652649770 /nfs/dbraw/zinc/64/97/70/652649770.db2.gz HCAIDDGDCGLMGG-UHFFFAOYSA-N 1 0 389.974 2.049 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594443347 652649924 /nfs/dbraw/zinc/64/99/24/652649924.db2.gz OMRQTNIXIRSCJK-SNVBAGLBSA-N 1 0 380.869 2.274 20 0 GEADRO C[C@](O)(C[C@H](O)C[NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000634701209 652654349 /nfs/dbraw/zinc/65/43/49/652654349.db2.gz LYRPNDAGUQKTFA-RDJZCZTQSA-N 1 0 385.302 2.279 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634707822 652655940 /nfs/dbraw/zinc/65/59/40/652655940.db2.gz LXHTZOPFEUHMGI-TZMCWYRMSA-N 1 0 390.293 2.401 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634712100 652656780 /nfs/dbraw/zinc/65/67/80/652656780.db2.gz ZBSCBMOHGFNAOD-USXIJHARSA-N 1 0 394.295 2.143 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1F ZINC000594463646 652657232 /nfs/dbraw/zinc/65/72/32/652657232.db2.gz JFNNAKAMNLVVEB-UHFFFAOYSA-N 1 0 392.880 2.418 20 0 GEADRO C[C@](O)(C[C@H](O)C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000634716813 652658170 /nfs/dbraw/zinc/65/81/70/652658170.db2.gz ZXOXTSPQRWMMIY-RDJZCZTQSA-N 1 0 375.918 2.005 20 0 GEADRO C[C@](O)(C[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1)C1CC1 ZINC000634721950 652658847 /nfs/dbraw/zinc/65/88/47/652658847.db2.gz HOPNONDFCQVUAL-MAZHCROVSA-N 1 0 376.266 2.123 20 0 GEADRO Cc1c(Br)cncc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000668671016 652658977 /nfs/dbraw/zinc/65/89/77/652658977.db2.gz OCQCQTIHGFREHZ-MRXNPFEDSA-N 1 0 383.334 2.154 20 0 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O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638596177 652897105 /nfs/dbraw/zinc/89/71/05/652897105.db2.gz MSLHTXAGUKKUJP-CABCVRRESA-N 1 0 392.297 2.060 20 0 GEADRO O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638595877 652897177 /nfs/dbraw/zinc/89/71/77/652897177.db2.gz LDXOPMKKSXOJFD-SWLSCSKDSA-N 1 0 380.286 2.060 20 0 GEADRO [NH3+]Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)o1 ZINC000638595823 652897235 /nfs/dbraw/zinc/89/72/35/652897235.db2.gz KFTFYILXAACHAC-ZDUSSCGKSA-N 1 0 378.226 2.036 20 0 GEADRO O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638597090 652897597 /nfs/dbraw/zinc/89/75/97/652897597.db2.gz WGPAQGXCTXMVGQ-DZGCQCFKSA-N 1 0 380.286 2.203 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000638596483 652897760 /nfs/dbraw/zinc/89/77/60/652897760.db2.gz PQOADMVSKIONCV-IUODEOHRSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1F)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638598653 652898035 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Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC1(C[NH3+])CCOCC1 ZINC000638631230 652899767 /nfs/dbraw/zinc/89/97/67/652899767.db2.gz LMOYUHDQPZTYLP-UHFFFAOYSA-N 1 0 393.285 2.181 20 0 GEADRO CN(C)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)c1c(F)cccc1F ZINC000638633652 652899888 /nfs/dbraw/zinc/89/98/88/652899888.db2.gz DEEZVCAAJLJRRS-ZDUSSCGKSA-N 1 0 375.466 2.066 20 0 GEADRO Cc1nc(C(=O)NC2(C[NH3+])CCOCC2)nn1-c1c(Cl)cccc1Cl ZINC000638635922 652899945 /nfs/dbraw/zinc/89/99/45/652899945.db2.gz XLSIEIGBSAKJOJ-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO COc1ncc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1 ZINC000638646067 652900296 /nfs/dbraw/zinc/90/02/96/652900296.db2.gz XQJWDKKMYQFBHW-UHFFFAOYSA-N 1 0 381.523 2.236 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000638648158 652901013 /nfs/dbraw/zinc/90/10/13/652901013.db2.gz LBWQWNSKOCIRQK-ZWNOBZJWSA-N 1 0 378.274 2.209 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(S(N)(=O)=O)s1 ZINC000638719807 652904262 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C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638821480 652907502 /nfs/dbraw/zinc/90/75/02/652907502.db2.gz WBJSHRJADBCAEH-QWRGUYRKSA-N 1 0 388.331 2.359 20 0 GEADRO [NH3+][C@@H]1CCCCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000638833771 652908378 /nfs/dbraw/zinc/90/83/78/652908378.db2.gz CHBRMYXOFMNPRQ-SNVBAGLBSA-N 1 0 382.258 2.124 20 0 GEADRO O=C(CCOC1C[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842075 652908832 /nfs/dbraw/zinc/90/88/32/652908832.db2.gz LCJOUCQVHWHZCV-UHFFFAOYSA-N 1 0 395.297 2.222 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCOc2ccc(Br)cc2)cc1 ZINC000674743379 652911003 /nfs/dbraw/zinc/91/10/03/652911003.db2.gz MZRPUAJNQYVYAQ-UHFFFAOYSA-N 1 0 385.283 2.265 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000638934699 652913930 /nfs/dbraw/zinc/91/39/30/652913930.db2.gz ARMFKRMQNPKMSS-PSASIEDQSA-N 1 0 385.287 2.441 20 0 GEADRO CCn1cc(Br)cc1C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638988106 652915590 /nfs/dbraw/zinc/91/55/90/652915590.db2.gz SDINVWQSMDAHJH-UHFFFAOYSA-N 1 0 378.274 2.327 20 0 GEADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000639026447 652916253 /nfs/dbraw/zinc/91/62/53/652916253.db2.gz IBKLYYKPIUNXAE-AVGNSLFASA-N 1 0 380.286 2.188 20 0 GEADRO CO[C@]1(C)CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000639124391 652920741 /nfs/dbraw/zinc/92/07/41/652920741.db2.gz JZKUYBZFCZTRQO-OAHLLOKOSA-N 1 0 391.331 2.488 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)CCCc2cccc(Br)c2)CC1 ZINC000675435296 652925792 /nfs/dbraw/zinc/92/57/92/652925792.db2.gz QNAYJLCPSHGEDQ-UHFFFAOYSA-N 1 0 382.346 2.478 20 0 GEADRO C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCC(CO)CC1 ZINC000639179006 652925876 /nfs/dbraw/zinc/92/58/76/652925876.db2.gz QTBHYKSTIBGQBD-UHFFFAOYSA-N 1 0 391.331 2.079 20 0 GEADRO CO[C@@]1(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CCOC1 ZINC000639239102 652927546 /nfs/dbraw/zinc/92/75/46/652927546.db2.gz ZYLDGKPAEVBPPW-CZUORRHYSA-N 1 0 376.266 2.134 20 0 GEADRO C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H](CO)CC(C)(C)C ZINC000639248497 652928009 /nfs/dbraw/zinc/92/80/09/652928009.db2.gz ZZVLNHQZBWGHIB-GFCCVEGCSA-N 1 0 393.347 2.325 20 0 GEADRO CO[C@@]1(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CCOC1 ZINC000639250279 652928673 /nfs/dbraw/zinc/92/86/73/652928673.db2.gz HOFINPCUKVWADZ-BLLLJJGKSA-N 1 0 376.266 2.134 20 0 GEADRO OC[C@]1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCc2ccccc21 ZINC000639287232 652930746 /nfs/dbraw/zinc/93/07/46/652930746.db2.gz BGVLHWOIHNMZTK-GOSISDBHSA-N 1 0 387.281 2.458 20 0 GEADRO CC(C)(C[NH2+]Cc1cnn2cc(Br)cnc12)[C@]1(O)CCCOC1 ZINC000639330882 652932220 /nfs/dbraw/zinc/93/22/20/652932220.db2.gz YFPZFIVFGSORTR-INIZCTEOSA-N 1 0 383.290 2.149 20 0 GEADRO CN1CC[C@H]([NH2+]CCN2CC[C@H](O)C2)C[C@H]1c1ccc(Br)cc1 ZINC000639357987 652933923 /nfs/dbraw/zinc/93/39/23/652933923.db2.gz SWSYYCGOGDKPRV-BZSNNMDCSA-N 1 0 382.346 2.241 20 0 GEADRO OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CC1(O)CCOCC1 ZINC000639484276 652938536 /nfs/dbraw/zinc/93/85/36/652938536.db2.gz IMSMKHPKAPURDJ-OAHLLOKOSA-N 1 0 392.323 2.470 20 0 GEADRO Cc1c([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)nnn1-c1ccc(Cl)cc1 ZINC000675746512 652939335 /nfs/dbraw/zinc/93/93/35/652939335.db2.gz JQUHPOTWPJPSPY-GFCCVEGCSA-N 1 0 385.921 2.161 20 0 GEADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c(Cl)c1 ZINC000675745340 652939575 /nfs/dbraw/zinc/93/95/75/652939575.db2.gz KRODNXHCXFMBFC-CYBMUJFWSA-N 1 0 375.922 2.237 20 0 GEADRO Cc1ncc(CNC(=O)CC[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)s1 ZINC000639586846 652942799 /nfs/dbraw/zinc/94/27/99/652942799.db2.gz OPEXPNSYGOMTCL-HNNXBMFYSA-N 1 0 379.448 2.483 20 0 GEADRO COc1cc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cnc1Cl ZINC000767705170 652944928 /nfs/dbraw/zinc/94/49/28/652944928.db2.gz ILIMTYMNDZIOAT-BETUJISGSA-N 1 0 375.922 2.390 20 0 GEADRO Cc1ncc(CNC(=O)CC[N@H+](C)CCn2cc(Br)cn2)s1 ZINC000639645855 652945765 /nfs/dbraw/zinc/94/57/65/652945765.db2.gz BCBVLWTVIZZBAJ-UHFFFAOYSA-N 1 0 386.319 2.049 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000600983341 652946886 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385.302 2.209 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000676206273 652957358 /nfs/dbraw/zinc/95/73/58/652957358.db2.gz SQPDRGJPNCWSAX-SNPRPXQTSA-N 1 0 385.555 2.050 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000601296069 653085303 /nfs/dbraw/zinc/08/53/03/653085303.db2.gz OIUMAPUEWMDSEJ-VWYCJHECSA-N 1 0 387.274 2.175 20 0 GEADRO CC[N@H+](CCC(=O)NCc1cnc(C)s1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639826121 653085713 /nfs/dbraw/zinc/08/57/13/653085713.db2.gz PXNAYAKYAPVAGP-CYBMUJFWSA-N 1 0 378.464 2.416 20 0 GEADRO Nc1nnc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000639827479 653086180 /nfs/dbraw/zinc/08/61/80/653086180.db2.gz ZEECUDORZGLMRA-WDEREUQCSA-N 1 0 387.267 2.578 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1F ZINC000601352428 653087857 /nfs/dbraw/zinc/08/78/57/653087857.db2.gz UVULQSZHZUNRAX-GWCFXTLKSA-N 1 0 390.864 2.028 20 0 GEADRO C[C@@]12C[NH+](Cc3nc4ccc(Br)cc4o3)C[C@@]1(C)C(=O)NC2=O ZINC000639943613 653089365 /nfs/dbraw/zinc/08/93/65/653089365.db2.gz BSPVQTADGJHPJD-HOTGVXAUSA-N 1 0 378.226 2.075 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cscc2Br)C[C@@H]1[NH+](C)C ZINC000601380647 653089675 /nfs/dbraw/zinc/08/96/75/653089675.db2.gz NXTNCZCEQBZIRU-UWVGGRQHSA-N 1 0 385.374 2.177 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C[C@H]1[NH+]1CCCC1 ZINC000601397753 653091446 /nfs/dbraw/zinc/09/14/46/653091446.db2.gz SFOYLSLQGPQBJA-UKRRQHHQSA-N 1 0 399.563 2.202 20 0 GEADRO CO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@@](C)(CO)C1 ZINC000640012009 653093614 /nfs/dbraw/zinc/09/36/14/653093614.db2.gz ZXKMGFFHTBDAHF-YLQAJVPDSA-N 1 0 385.302 2.098 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1[nH]nc(C2CC2)c1Br ZINC000676343963 653094491 /nfs/dbraw/zinc/09/44/91/653094491.db2.gz DNJRVUAVACGJOK-GFCCVEGCSA-N 1 0 383.290 2.033 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768065211 653100099 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GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000676885174 653112432 /nfs/dbraw/zinc/11/24/32/653112432.db2.gz NREXUILBJJRXMX-ZDUSSCGKSA-N 1 0 396.289 2.286 20 0 GEADRO Cc1ccc([C@H](CNC(=O)Nc2nn(C)cc2Br)[NH+](C)C)cc1 ZINC000640308632 653113644 /nfs/dbraw/zinc/11/36/44/653113644.db2.gz JGUMAGQNRHOHIC-AWEZNQCLSA-N 1 0 380.290 2.915 20 0 GEADRO Cn1cc(Br)c(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC000640313699 653117643 /nfs/dbraw/zinc/11/76/43/653117643.db2.gz QJGMIZIGBPHDTR-UHFFFAOYSA-N 1 0 380.290 2.608 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3nn(C)cc3Br)C2)cc1 ZINC000640316456 653119343 /nfs/dbraw/zinc/11/93/43/653119343.db2.gz VFLCDBUYRDPSKX-AWEZNQCLSA-N 1 0 392.301 2.887 20 0 GEADRO O=C(Cn1cc(Br)cn1)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000677840580 653122909 /nfs/dbraw/zinc/12/29/09/653122909.db2.gz INARYZXFQUFHLY-UHFFFAOYSA-N 1 0 393.285 2.241 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640383959 653123327 /nfs/dbraw/zinc/12/33/27/653123327.db2.gz UOESBZURQRMEES-SSDOTTSWSA-N 1 0 375.367 3.044 20 0 GEADRO O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000640383874 653123437 /nfs/dbraw/zinc/12/34/37/653123437.db2.gz QZOYRGVLUFZHBW-YUMQZZPRSA-N 1 0 385.362 2.941 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc2occc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000678091505 653126243 /nfs/dbraw/zinc/12/62/43/653126243.db2.gz STFMIKMHLMINLW-ZDUSSCGKSA-N 1 0 384.523 2.465 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc2ccsc2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000678091159 653126507 /nfs/dbraw/zinc/12/65/07/653126507.db2.gz KESXXIJSVOBECZ-AWEZNQCLSA-N 1 0 383.539 2.201 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000678106174 653127280 /nfs/dbraw/zinc/12/72/80/653127280.db2.gz FHKVNIYJNZDQCZ-IIYDPXPESA-N 1 0 394.313 2.321 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000678113141 653127688 /nfs/dbraw/zinc/12/76/88/653127688.db2.gz URRUWIBMTKKXGW-HZPDHXFCSA-N 1 0 382.302 2.266 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640572110 653131364 /nfs/dbraw/zinc/13/13/64/653131364.db2.gz ITRXLVGOIYWLRE-UHFFFAOYSA-N 1 0 381.278 2.266 20 0 GEADRO C[C@@H]1CN(C(=O)c2cccn3c(I)cnc23)[C@@H](C)C[N@@H+]1C ZINC000768849402 653131982 /nfs/dbraw/zinc/13/19/82/653131982.db2.gz QLSLCUZIOWSOHM-MNOVXSKESA-N 1 0 398.248 2.104 20 0 GEADRO CSC1(CNC(=O)NCCn2ccc(C(F)(F)F)n2)CC[NH+](C)CC1 ZINC000602004589 653137721 /nfs/dbraw/zinc/13/77/21/653137721.db2.gz GEIFUEHOTRCIGK-UHFFFAOYSA-N 1 0 379.452 2.029 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)n1C ZINC000602006174 653137940 /nfs/dbraw/zinc/13/79/40/653137940.db2.gz KZYIPRMTOVRTLE-UHFFFAOYSA-N 1 0 394.269 2.094 20 0 GEADRO C[C@H]1CCCN(C(=O)Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)C1 ZINC000640774719 653138025 /nfs/dbraw/zinc/13/80/25/653138025.db2.gz QUZFVRQCNKOKJA-YVEFUNNKSA-N 1 0 392.301 2.347 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)N(C)CCC[NH+](C)C)c1 ZINC000602034030 653140143 /nfs/dbraw/zinc/14/01/43/653140143.db2.gz RIZNXMDNVDNOQV-UHFFFAOYSA-N 1 0 390.267 2.129 20 0 GEADRO C[C@@H](NC(=O)[C@H](C)n1cc(COCC[NH3+])nn1)c1ccc(Cl)cc1Cl ZINC000640838336 653140780 /nfs/dbraw/zinc/14/07/80/653140780.db2.gz FIPPCPLOOBJBGN-MNOVXSKESA-N 1 0 386.283 2.499 20 0 GEADRO CC(C)(CO)[NH+]1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000679217177 653141189 /nfs/dbraw/zinc/14/11/89/653141189.db2.gz UGRZLPICTCDJOW-INIZCTEOSA-N 1 0 386.323 2.487 20 0 GEADRO C[NH2+]C(C)(C)c1cn(CC(=O)N[C@H](C)c2ccc(Br)cc2)nn1 ZINC000640846585 653141458 /nfs/dbraw/zinc/14/14/58/653141458.db2.gz BVBCCXIBDZSAEJ-LLVKDONJSA-N 1 0 380.290 2.373 20 0 GEADRO CC[N@H+](CCCOC(=O)NC(N)=O)CCOc1ccc(Br)cc1 ZINC000772193174 653141662 /nfs/dbraw/zinc/14/16/62/653141662.db2.gz QMKBOAXFJVLOPD-UHFFFAOYSA-N 1 0 388.262 2.345 20 0 GEADRO Brc1cc2c(cc1Cn1cc(C[C@@H]3CC[NH2+]C3)nn1)OCCO2 ZINC000640851177 653142358 /nfs/dbraw/zinc/14/23/58/653142358.db2.gz FKLLUADKISJDFK-NSHDSACASA-N 1 0 379.258 2.012 20 0 GEADRO [NH3+][C@H](c1cn(Cc2cc3c(cc2Br)OCCO3)nn1)[C@H]1CCCO1 ZINC000640851608 653142466 /nfs/dbraw/zinc/14/24/66/653142466.db2.gz JIVRYERITSJPPW-CZUORRHYSA-N 1 0 395.257 2.039 20 0 GEADRO Brc1cccc(-c2noc(Cn3cc(C[C@@H]4CC[NH2+]C4)nn3)n2)c1 ZINC000640877785 653143079 /nfs/dbraw/zinc/14/30/79/653143079.db2.gz KCVPLTGJHFUUKZ-NSHDSACASA-N 1 0 389.257 2.291 20 0 GEADRO Cc1c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)sc2nc(C)nc(C)c12 ZINC000769126257 653144188 /nfs/dbraw/zinc/14/41/88/653144188.db2.gz XACBVOGGGFHVFA-UHFFFAOYSA-N 1 0 382.555 2.472 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640900689 653145077 /nfs/dbraw/zinc/14/50/77/653145077.db2.gz AWORCENYLPKUNK-GFCCVEGCSA-N 1 0 395.305 2.021 20 0 GEADRO C[NH+](C)CC1(C(=O)NCCc2ccc(I)s2)CC1 ZINC000602090917 653146924 /nfs/dbraw/zinc/14/69/24/653146924.db2.gz VOIXUVKPVGBQEC-UHFFFAOYSA-N 1 0 378.279 2.353 20 0 GEADRO CN(CCC[NH3+])Cc1cn(Cc2cc(Br)cc3cccnc32)nn1 ZINC000640949053 653146797 /nfs/dbraw/zinc/14/67/97/653146797.db2.gz DAAKBYUHWYJYDI-UHFFFAOYSA-N 1 0 389.301 2.418 20 0 GEADRO CCOc1nnc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)s1 ZINC000640993985 653149477 /nfs/dbraw/zinc/14/94/77/653149477.db2.gz LEYOFGFWBYWVSI-ZDUSSCGKSA-N 1 0 395.286 2.387 20 0 GEADRO COC[C@H]([NH3+])Cc1cn(Cc2cc(Br)ccc2OC(F)F)nn1 ZINC000641010469 653150156 /nfs/dbraw/zinc/15/01/56/653150156.db2.gz XQOZGDSRDKCBOK-LLVKDONJSA-N 1 0 391.216 2.207 20 0 GEADRO OCCCC[NH+]1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000769396147 653152080 /nfs/dbraw/zinc/15/20/80/653152080.db2.gz WFSAFODVCVYFKA-UHFFFAOYSA-N 1 0 384.311 2.464 20 0 GEADRO C[NH2+][C@H](C)c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641040470 653152358 /nfs/dbraw/zinc/15/23/58/653152358.db2.gz DNTMYSVBZAMYJP-SNVBAGLBSA-N 1 0 377.246 2.343 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000602179411 653154781 /nfs/dbraw/zinc/15/47/81/653154781.db2.gz GSUJWGNKUXLDRO-UHFFFAOYSA-N 1 0 385.599 2.423 20 0 GEADRO CN(C)c1nc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)ns1 ZINC000641085914 653155316 /nfs/dbraw/zinc/15/53/16/653155316.db2.gz RKORVAAAMTXMEX-CYBMUJFWSA-N 1 0 394.302 2.055 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000679887135 653157436 /nfs/dbraw/zinc/15/74/36/653157436.db2.gz CPSUZGSDJMWXBO-LLVKDONJSA-N 1 0 396.285 2.384 20 0 GEADRO [NH3+][C@H](c1cn([C@H]2CCN(C3CCC3)C2=O)nn1)c1ccc(Br)cc1 ZINC000641110108 653157867 /nfs/dbraw/zinc/15/78/67/653157867.db2.gz YKBWGRKSWIRWDD-HOTGVXAUSA-N 1 0 390.285 2.415 20 0 GEADRO C[NH2+]Cc1cn([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)nn1 ZINC000641117574 653158723 /nfs/dbraw/zinc/15/87/23/653158723.db2.gz NPCYFZQHXQDEEP-OAHLLOKOSA-N 1 0 378.274 2.437 20 0 GEADRO COCC[NH2+]CCc1cn(Cc2cc(Br)cc(F)c2F)nn1 ZINC000641119609 653159309 /nfs/dbraw/zinc/15/93/09/653159309.db2.gz UHQVZOGYYRQPFJ-UHFFFAOYSA-N 1 0 375.217 2.146 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000769485617 653159819 /nfs/dbraw/zinc/15/98/19/653159819.db2.gz VVQLYABBLZKYAP-BPLDGKMQSA-N 1 0 388.965 2.119 20 0 GEADRO Brc1ccc2c(c1)[C@@H](n1cc(CCN3CC[NH2+]CC3)nn1)CCC2 ZINC000641122597 653159895 /nfs/dbraw/zinc/15/98/95/653159895.db2.gz JTBRBCJLSRTGBY-SFHVURJKSA-N 1 0 390.329 2.414 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000769512621 653160132 /nfs/dbraw/zinc/16/01/32/653160132.db2.gz OZTQNTJELRARGN-LSDHHAIUSA-N 1 0 377.551 2.082 20 0 GEADRO [NH3+][C@H](c1cn(Cc2nc3cc(Br)ccc3o2)nn1)[C@@H]1CCCO1 ZINC000641130701 653160489 /nfs/dbraw/zinc/16/04/89/653160489.db2.gz OKNLDUOMHHZYPW-DZGCQCFKSA-N 1 0 378.230 2.409 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000806372603 653160652 /nfs/dbraw/zinc/16/06/52/653160652.db2.gz VKZNJTVXMDYSML-ZBFHGGJFSA-N 1 0 377.360 2.238 20 0 GEADRO Cc1cc(Br)ccc1Cn1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000641139318 653161666 /nfs/dbraw/zinc/16/16/66/653161666.db2.gz YAHJFPCLXREPFI-UHFFFAOYSA-N 1 0 392.301 2.013 20 0 GEADRO Cc1ccc(Br)cc1Cn1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000641139228 653161940 /nfs/dbraw/zinc/16/19/40/653161940.db2.gz VHVUAPLUVKCCNC-UHFFFAOYSA-N 1 0 392.301 2.013 20 0 GEADRO CCCOc1ccc(Br)cc1Cn1cc(C[C@H]([NH3+])COC)nn1 ZINC000641135794 653161990 /nfs/dbraw/zinc/16/19/90/653161990.db2.gz YJNHFDWUTNQXHN-AWEZNQCLSA-N 1 0 383.290 2.394 20 0 GEADRO COCC[NH2+]CCc1cn(Cc2ccc(Br)c3cccnc23)nn1 ZINC000641157372 653163465 /nfs/dbraw/zinc/16/34/65/653163465.db2.gz PCNVSVDCGYTXGI-UHFFFAOYSA-N 1 0 390.285 2.416 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2nc(CC3CC3)no2)nn1)c1ccc(Br)cc1 ZINC000641160053 653163767 /nfs/dbraw/zinc/16/37/67/653163767.db2.gz JEVMYWXYALOJKJ-MRXNPFEDSA-N 1 0 389.257 2.473 20 0 GEADRO COCC[C@@H]([NH3+])Cc1cn(CCOc2cc(F)cc(Br)c2)nn1 ZINC000641174039 653166058 /nfs/dbraw/zinc/16/60/58/653166058.db2.gz FOKJPHJVVGQPJX-CYBMUJFWSA-N 1 0 387.253 2.165 20 0 GEADRO Cn1c2cc(Br)ccc2nc1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641176192 653166071 /nfs/dbraw/zinc/16/60/71/653166071.db2.gz XPNQFPNCIKPUOY-LLVKDONJSA-N 1 0 375.274 2.128 20 0 GEADRO Cn1c2cc(Br)ccc2nc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641176231 653166157 /nfs/dbraw/zinc/16/61/57/653166157.db2.gz YMZGHYYUGHEUKA-LLVKDONJSA-N 1 0 375.274 2.443 20 0 GEADRO CO[C@H](Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1)[C@H]1CCOC1 ZINC000641186493 653167142 /nfs/dbraw/zinc/16/71/42/653167142.db2.gz ZOCHKOVQJBQEFK-APHBMKBZSA-N 1 0 381.274 2.140 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000680844513 653171002 /nfs/dbraw/zinc/17/10/02/653171002.db2.gz NKDGEBYTQHFXNF-GFCCVEGCSA-N 1 0 383.290 2.097 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1OC ZINC000602338954 653172061 /nfs/dbraw/zinc/17/20/61/653172061.db2.gz YOPHPQFROKKCSI-CVEARBPZSA-N 1 0 399.329 2.497 20 0 GEADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000602345082 653172703 /nfs/dbraw/zinc/17/27/03/653172703.db2.gz HNXDBPPZMJGREG-RRQGHBQHSA-N 1 0 389.323 2.264 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000602345663 653173092 /nfs/dbraw/zinc/17/30/92/653173092.db2.gz JFHIAQZZOFBNLC-HZPDHXFCSA-N 1 0 379.302 2.128 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000806787194 653175240 /nfs/dbraw/zinc/17/52/40/653175240.db2.gz GEWKRZJAWLGPPW-NWDGAFQWSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccccc1I ZINC000773017439 653176704 /nfs/dbraw/zinc/17/67/04/653176704.db2.gz RLGCMPFMMDCLAP-NSHDSACASA-N 1 0 397.278 2.003 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1nccn2c(Br)cnc12 ZINC000769785069 653176908 /nfs/dbraw/zinc/17/69/08/653176908.db2.gz UZLCHZURQMOLNT-TXEJJXNPSA-N 1 0 380.290 2.485 20 0 GEADRO C[C@@H]1COCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000641301789 653182047 /nfs/dbraw/zinc/18/20/47/653182047.db2.gz TYFXRHNQBJFQBY-DYVFJYSZSA-N 1 0 376.469 2.083 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1nccn2c(Br)cnc12 ZINC000769852724 653181888 /nfs/dbraw/zinc/18/18/88/653181888.db2.gz BPYDGNRBISNYSU-LBPRGKRZSA-N 1 0 380.290 2.486 20 0 GEADRO C[S@@](=O)C1(C(=O)N[C@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000602453052 653182002 /nfs/dbraw/zinc/18/20/02/653182002.db2.gz YSYSLVYMZXGFMS-RCDICMHDSA-N 1 0 385.327 2.053 20 0 GEADRO COc1ncc(Br)c(NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000641299508 653182116 /nfs/dbraw/zinc/18/21/16/653182116.db2.gz MWZQBIJIHJYURY-UHFFFAOYSA-N 1 0 378.274 2.719 20 0 GEADRO C[S@](=O)C1(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CC[NH2+]CC1 ZINC000602457154 653182750 /nfs/dbraw/zinc/18/27/50/653182750.db2.gz ZXJFOAIOTRCMEP-QHCPKHFHSA-N 1 0 375.321 2.379 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CC[NH2+]CC1 ZINC000602460508 653183260 /nfs/dbraw/zinc/18/32/60/653183260.db2.gz UIJBQJLHUCXRBS-RUZDIDTESA-N 1 0 398.941 2.222 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCSCc2ccnc(Cl)c2)[C@@H](C)C1 ZINC000807105632 653183966 /nfs/dbraw/zinc/18/39/66/653183966.db2.gz CDUQVSMVBDVSAK-KBPBESRZSA-N 1 0 386.949 2.065 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000602523632 653187626 /nfs/dbraw/zinc/18/76/26/653187626.db2.gz DGNWLMBXDZFFOA-HNNXBMFYSA-N 1 0 383.286 2.468 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2ccc(F)c(Br)c2F)CC[NH2+]CC1 ZINC000602536228 653188980 /nfs/dbraw/zinc/18/89/80/653188980.db2.gz RUJQCFIGNOIPLV-OAQYLSRUSA-N 1 0 381.242 2.167 20 0 GEADRO COC(=O)[C@]1(NC(=O)CC[C@@H](C)[NH3+])CCc2cc(Br)ccc2C1 ZINC000602545891 653190065 /nfs/dbraw/zinc/19/00/65/653190065.db2.gz YMUJMEGRKGJZDI-DIFFPNOSSA-N 1 0 383.286 2.093 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2ccc(I)s2)O1 ZINC000602581524 653191984 /nfs/dbraw/zinc/19/19/84/653191984.db2.gz JQDZGOHOHMTNGE-KOLCDFICSA-N 1 0 394.278 2.078 20 0 GEADRO COC(=O)c1csc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000602618923 653195113 /nfs/dbraw/zinc/19/51/13/653195113.db2.gz VXQAXFBPGPCIPH-UHFFFAOYSA-N 1 0 380.491 2.364 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]Cc1cnc(N)nc1N ZINC000602637906 653197157 /nfs/dbraw/zinc/19/71/57/653197157.db2.gz JDJOYNCQGWGPAR-JTQLQIEISA-N 1 0 397.264 2.017 20 0 GEADRO CN(C(=O)c1ncsc1Br)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000807592484 653199844 /nfs/dbraw/zinc/19/98/44/653199844.db2.gz CXVYQLMMFNTGJN-LBPRGKRZSA-N 1 0 387.347 2.146 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC[NH2+]1 ZINC000641404491 653200002 /nfs/dbraw/zinc/20/00/02/653200002.db2.gz IMJGAYMPHAZIAT-GXFFZTMASA-N 1 0 394.273 2.439 20 0 GEADRO CC1(C)CN(c2ncnc3cc(F)c(Br)cc32)CC[N@@H+]1CCO ZINC000681992429 653201119 /nfs/dbraw/zinc/20/11/19/653201119.db2.gz COZKRCKIOXVTBU-UHFFFAOYSA-N 1 0 383.265 2.424 20 0 GEADRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C ZINC000602710552 653201501 /nfs/dbraw/zinc/20/15/01/653201501.db2.gz NDCOCVNYZLHHDF-AWEZNQCLSA-N 1 0 376.906 2.443 20 0 GEADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000807758662 653203358 /nfs/dbraw/zinc/20/33/58/653203358.db2.gz VLXFUYFAADNNAB-XHSDSOJGSA-N 1 0 383.945 2.459 20 0 GEADRO COC1CCN(CCNc2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641422997 653203900 /nfs/dbraw/zinc/20/39/00/653203900.db2.gz LDTBGYJSHVRXFY-UHFFFAOYSA-N 1 0 383.212 2.781 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682038588 653205778 /nfs/dbraw/zinc/20/57/78/653205778.db2.gz RQVPYDHKXRPAFS-UHFFFAOYSA-N 1 0 388.339 2.340 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCC[C@H]3[NH+](C)C)c(Cl)cc21 ZINC000641442012 653206546 /nfs/dbraw/zinc/20/65/46/653206546.db2.gz QOKUTLGGSCLHFG-HUUCEWRRSA-N 1 0 385.917 2.010 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)c(Br)c1 ZINC000682278697 653206882 /nfs/dbraw/zinc/20/68/82/653206882.db2.gz FMLRXUPHMMALAE-UHFFFAOYSA-N 1 0 386.290 2.196 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000682272835 653207086 /nfs/dbraw/zinc/20/70/86/653207086.db2.gz JBYURZRGSXDTJC-CYBMUJFWSA-N 1 0 398.301 2.387 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000682274895 653207111 /nfs/dbraw/zinc/20/71/11/653207111.db2.gz UUOXATVBWOYKGW-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO O=S1(=O)CC(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000682474382 653211429 /nfs/dbraw/zinc/21/14/29/653211429.db2.gz GCCMMIOACUCTSQ-UHFFFAOYSA-N 1 0 390.299 2.135 20 0 GEADRO C[C@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641489278 653212963 /nfs/dbraw/zinc/21/29/63/653212963.db2.gz MVFWONZPKYSJRI-NHYWBVRUSA-N 1 0 378.416 2.015 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682506847 653216201 /nfs/dbraw/zinc/21/62/01/653216201.db2.gz HIPZMQXKLCRRBT-UHFFFAOYSA-N 1 0 375.694 2.218 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1)[NH+](C)C ZINC000682590863 653218454 /nfs/dbraw/zinc/21/84/54/653218454.db2.gz RMCNGWWPZKCSEZ-MRVPVSSYSA-N 1 0 396.207 2.473 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000773996846 653219923 /nfs/dbraw/zinc/21/99/23/653219923.db2.gz CKNSQGNCFTVRHS-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000682724639 653222165 /nfs/dbraw/zinc/22/21/65/653222165.db2.gz CADGTANUHBCSDX-UHFFFAOYSA-N 1 0 385.921 2.188 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000682725106 653222296 /nfs/dbraw/zinc/22/22/96/653222296.db2.gz FPQWEEYYPIBSRT-AWEZNQCLSA-N 1 0 387.571 2.442 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@@H]1CN(C)CCO1 ZINC000682730546 653222416 /nfs/dbraw/zinc/22/24/16/653222416.db2.gz IGUMBNDVOBHEGG-KSSFIOAISA-N 1 0 398.345 2.094 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)Cc2csc(C)n2)CC1 ZINC000682836072 653224907 /nfs/dbraw/zinc/22/49/07/653224907.db2.gz IKWYMPYVMLBPAX-UHFFFAOYSA-N 1 0 389.587 2.352 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000774146643 653226568 /nfs/dbraw/zinc/22/65/68/653226568.db2.gz BOVJFLUMAQSTPD-AWEZNQCLSA-N 1 0 397.317 2.328 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000641650597 653227722 /nfs/dbraw/zinc/22/77/22/653227722.db2.gz QRMIETVPXMWEBQ-UHFFFAOYSA-N 1 0 394.368 2.440 20 0 GEADRO Cc1cc(S(=O)(=O)NCCCN2CCC[N@@H+](C)CC2)c(Cl)cc1F ZINC000641650949 653227788 /nfs/dbraw/zinc/22/77/88/653227788.db2.gz XPMXZQDUPQRXAK-UHFFFAOYSA-N 1 0 377.913 2.093 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000641647297 653227806 /nfs/dbraw/zinc/22/78/06/653227806.db2.gz MCDZTXGUUSJKKS-UHFFFAOYSA-N 1 0 386.370 2.361 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000641649735 653227840 /nfs/dbraw/zinc/22/78/40/653227840.db2.gz FFQZZKBRXPDIAN-UHFFFAOYSA-N 1 0 398.331 2.438 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCCSC1 ZINC000808431748 653229496 /nfs/dbraw/zinc/22/94/96/653229496.db2.gz YXLNRQQTZQRKCY-CHWSQXEVSA-N 1 0 377.963 2.437 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnc(Br)cc1C ZINC000774249908 653231050 /nfs/dbraw/zinc/23/10/50/653231050.db2.gz FTFVXBWNRKMVOS-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@H](NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000683209709 653231560 /nfs/dbraw/zinc/23/15/60/653231560.db2.gz GVZRVDYJRGWPFW-LBPRGKRZSA-N 1 0 387.933 2.273 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cnc(Br)cc2C)C1 ZINC000774279178 653232399 /nfs/dbraw/zinc/23/23/99/653232399.db2.gz BFSNYVUZWVIHKK-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000774300738 653233398 /nfs/dbraw/zinc/23/33/98/653233398.db2.gz CKTZQMZUJZXMSP-NEPJUHHUSA-N 1 0 383.290 2.080 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000641775070 653233529 /nfs/dbraw/zinc/23/35/29/653233529.db2.gz KEJKMCJNMGPHJB-NEPJUHHUSA-N 1 0 394.107 2.423 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnc(Br)cc2C)C[C@@H]1C ZINC000774314327 653234081 /nfs/dbraw/zinc/23/40/81/653234081.db2.gz UEOICMCANZACQI-QWHCGFSZSA-N 1 0 397.317 2.422 20 0 GEADRO O=C(CC[NH2+]C[C@]1(N2CCOCC2)CCSC1)Nc1ccc(Cl)cc1 ZINC000683342709 653234167 /nfs/dbraw/zinc/23/41/67/653234167.db2.gz RWRFXNVGDAYJFQ-GOSISDBHSA-N 1 0 383.945 2.466 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000683662272 653236980 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GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874174210 653280569 /nfs/dbraw/zinc/28/05/69/653280569.db2.gz KBAFEWQPGWRANJ-NHYWBVRUSA-N 1 0 398.276 2.388 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1F ZINC000874177092 653281478 /nfs/dbraw/zinc/28/14/78/653281478.db2.gz YEJLKEPVPGSIBL-RISCZKNCSA-N 1 0 398.276 2.388 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)NCC[C@H](C)[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000857107042 653283557 /nfs/dbraw/zinc/28/35/57/653283557.db2.gz JFGSUBNADFOJHX-TUKIKUTGSA-N 1 0 398.301 2.084 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000857108132 653284345 /nfs/dbraw/zinc/28/43/45/653284345.db2.gz MSMRYCMZYXLECF-LBPRGKRZSA-N 1 0 387.297 2.153 20 0 GEADRO O=S1(=O)CCC(CC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809629547 653285967 /nfs/dbraw/zinc/28/59/67/653285967.db2.gz UOEWIMURKAKJGL-UHFFFAOYSA-N 1 0 386.315 2.401 20 0 GEADRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677069 653287385 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Cc1ccc(Br)cc1CNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000685102220 653294661 /nfs/dbraw/zinc/29/46/61/653294661.db2.gz BPNWCOWXSLEBTK-UHFFFAOYSA-N 1 0 398.345 2.420 20 0 GEADRO C[C@@H](CCNC(=O)c1c(Br)nc2n1CCOC2)[NH+]1CCCCC1 ZINC000857177370 653294578 /nfs/dbraw/zinc/29/45/78/653294578.db2.gz NYOYWNFTVMKECL-LBPRGKRZSA-N 1 0 385.306 2.170 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)[N@H+](C)Cc1ccccc1 ZINC000775163622 653295946 /nfs/dbraw/zinc/29/59/46/653295946.db2.gz MXKYSPCYUZILIM-DZGCQCFKSA-N 1 0 386.323 2.323 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000685103451 653297020 /nfs/dbraw/zinc/29/70/20/653297020.db2.gz PPYKLOKQFOOUOB-UHFFFAOYSA-N 1 0 384.318 2.172 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)[NH+]1CCC(C)CC1 ZINC000775170974 653299604 /nfs/dbraw/zinc/29/96/04/653299604.db2.gz WHGQZVMGPDQXME-KGLIPLIRSA-N 1 0 378.344 2.169 20 0 GEADRO C[NH+](C)C[C@H](CO)Nc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC000685262344 653300609 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CC[C@@H]1CN(CC)CCN1C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000835897851 653312758 /nfs/dbraw/zinc/31/27/58/653312758.db2.gz QHDFCHRAEYXKQF-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO CCc1ccc([C@H](CNC(=O)c2c(Br)nnn2C)[NH+](C)C)cc1 ZINC000809947248 653314107 /nfs/dbraw/zinc/31/41/07/653314107.db2.gz BAHFBFNHFKJREB-ZDUSSCGKSA-N 1 0 380.290 2.173 20 0 GEADRO CC[NH+]1CCN(CC(=O)NCCc2c[nH]c3cccc(Br)c23)CC1 ZINC000685890581 653315873 /nfs/dbraw/zinc/31/58/73/653315873.db2.gz SEQRZRZCCXWRBQ-UHFFFAOYSA-N 1 0 393.329 2.227 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNCc2cc(Br)c(Br)s2)C1 ZINC000702566919 653319472 /nfs/dbraw/zinc/31/94/72/653319472.db2.gz PXWOZGOYANWMPA-LLVKDONJSA-N 1 0 384.137 2.429 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000810064671 653320552 /nfs/dbraw/zinc/32/05/52/653320552.db2.gz PMRGRONJPIIZTB-HUUCEWRRSA-N 1 0 377.551 2.036 20 0 GEADRO Cn1nnc(Br)c1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000810081073 653322233 /nfs/dbraw/zinc/32/22/33/653322233.db2.gz AIQWQHFKHDKYFP-UHFFFAOYSA-N 1 0 392.301 2.144 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(Br)c(Br)c1 ZINC000712333531 653323176 /nfs/dbraw/zinc/32/31/76/653323176.db2.gz RRSHVCZKJXTXNA-SECBINFHSA-N 1 0 377.080 2.431 20 0 GEADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000715122765 653324668 /nfs/dbraw/zinc/32/46/68/653324668.db2.gz LUQCOOYPBDJYJP-XWEPSHTISA-N 1 0 398.120 2.227 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c(Br)n1 ZINC000836087865 653329505 /nfs/dbraw/zinc/32/95/05/653329505.db2.gz DCSZCNMJAAFVIF-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cnc1Br ZINC000836088719 653329935 /nfs/dbraw/zinc/32/99/35/653329935.db2.gz GIPWVFUCIABBES-ZDUSSCGKSA-N 1 0 383.290 2.032 20 0 GEADRO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)nc1 ZINC000810216031 653331316 /nfs/dbraw/zinc/33/13/16/653331316.db2.gz CJKJQANOTQQCNP-ZDUSSCGKSA-N 1 0 383.334 2.437 20 0 GEADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000810222337 653331382 /nfs/dbraw/zinc/33/13/82/653331382.db2.gz QWIZMCAVWRZUQG-CNXDIBTDSA-N 1 0 384.567 2.381 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)nc1 ZINC000810233468 653331921 /nfs/dbraw/zinc/33/19/21/653331921.db2.gz VZGHXNCIBZRNAY-KNHMANMVSA-N 1 0 381.274 2.215 20 0 GEADRO Cn1nnc(Br)c1-c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000810291967 653333589 /nfs/dbraw/zinc/33/35/89/653333589.db2.gz DKMJBFOXGLTWFO-UHFFFAOYSA-N 1 0 393.245 2.235 20 0 GEADRO CC(C)[NH+]1CCC(N(C)C(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000857709000 653333986 /nfs/dbraw/zinc/33/39/86/653333986.db2.gz QCJAQSJYYKFCMS-UHFFFAOYSA-N 1 0 385.306 2.121 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000776047670 653336429 /nfs/dbraw/zinc/33/64/29/653336429.db2.gz AGKVHERMUMAEPC-KBPBESRZSA-N 1 0 383.290 2.215 20 0 GEADRO Cn1nnc(Br)c1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000810372227 653336694 /nfs/dbraw/zinc/33/66/94/653336694.db2.gz CUQIBYRHSDDYDJ-CYBMUJFWSA-N 1 0 384.322 2.352 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000776053682 653336999 /nfs/dbraw/zinc/33/69/99/653336999.db2.gz GKVPVRXNJQPBMS-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(I)cc1O ZINC000874822020 653337651 /nfs/dbraw/zinc/33/76/51/653337651.db2.gz XJIVDTYOBIDEPX-QWHCGFSZSA-N 1 0 386.233 2.306 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000874833397 653338885 /nfs/dbraw/zinc/33/88/85/653338885.db2.gz LHVKCINQVZDSLV-KGLIPLIRSA-N 1 0 394.269 2.089 20 0 GEADRO Cn1nnc(Br)c1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000810436824 653339711 /nfs/dbraw/zinc/33/97/11/653339711.db2.gz TTXRKXJELUSTTQ-ZYHUDNBSSA-N 1 0 398.330 2.452 20 0 GEADRO O=C(NCC[C@H]1CCSC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000874993398 653345793 /nfs/dbraw/zinc/34/57/93/653345793.db2.gz CGOTTZQJIYTUPW-LSDHHAIUSA-N 1 0 381.567 2.261 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000836349478 653345927 /nfs/dbraw/zinc/34/59/27/653345927.db2.gz JYRQKHYRWJTANF-BBRMVZONSA-N 1 0 393.359 2.202 20 0 GEADRO C[C@H](C[NH2+]Cc1cn(C)nc1Br)N1CCN(c2ccccc2)CC1 ZINC000858097475 653348086 /nfs/dbraw/zinc/34/80/86/653348086.db2.gz NNZZJACCYFXLNF-OAHLLOKOSA-N 1 0 392.345 2.483 20 0 GEADRO CNC(=O)CC[NH2+]Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000858109656 653348280 /nfs/dbraw/zinc/34/82/80/653348280.db2.gz ZEYVPJSPBGUYNT-SNVBAGLBSA-N 1 0 377.254 2.495 20 0 GEADRO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000875082673 653350617 /nfs/dbraw/zinc/35/06/17/653350617.db2.gz GMRNRKPWMGUVQW-UHFFFAOYSA-N 1 0 381.464 2.223 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000776495376 653351634 /nfs/dbraw/zinc/35/16/34/653351634.db2.gz ZGIMLOJTYRYHNX-DZGCQCFKSA-N 1 0 389.949 2.091 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCc1csc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000875106473 653351637 /nfs/dbraw/zinc/35/16/37/653351637.db2.gz TYMYIIDAJSNMFG-NSHDSACASA-N 1 0 377.432 2.374 20 0 GEADRO Cc1ccc([C@H](CNC(=O)C(=O)NCc2ncc(Cl)s2)[NH+](C)C)cc1 ZINC000875105993 653351848 /nfs/dbraw/zinc/35/18/48/653351848.db2.gz AHTPKYPISOXEMM-ZDUSSCGKSA-N 1 0 380.901 2.140 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)NC[C@@H](O)c2ccccc2Br)cn1 ZINC000836440508 653352646 /nfs/dbraw/zinc/35/26/46/653352646.db2.gz GZTNNNIWBJBPOM-OAHLLOKOSA-N 1 0 396.289 2.062 20 0 GEADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@@H]2CNC(=O)C2)cc1Br ZINC000858177556 653352774 /nfs/dbraw/zinc/35/27/74/653352774.db2.gz QGZFIIPVOXQLTD-WDEREUQCSA-N 1 0 389.265 2.495 20 0 GEADRO CNC(=O)[C@@H](C[NH2+]Cc1cn(C)nc1Br)Cc1ccc(F)cc1C ZINC000858181774 653353316 /nfs/dbraw/zinc/35/33/16/653353316.db2.gz XSNCVESRQFVHPM-CYBMUJFWSA-N 1 0 397.292 2.325 20 0 GEADRO CC1CC[NH+](C2CCC(NC(=O)c3c(Br)nnn3C)CC2)CC1 ZINC000810714101 653354122 /nfs/dbraw/zinc/35/41/22/653354122.db2.gz ULTPKGASWGPLHW-UHFFFAOYSA-N 1 0 384.322 2.351 20 0 GEADRO CCC[C@@H](C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)OCC ZINC000858212474 653354798 /nfs/dbraw/zinc/35/47/98/653354798.db2.gz NSJWBFZHHZTUOT-KGLIPLIRSA-N 1 0 377.938 2.499 20 0 GEADRO O=Cc1cnc2c(Br)cc(C(=O)NC3CC[NH+](C4CC4)CC3)cn12 ZINC000858233045 653356355 /nfs/dbraw/zinc/35/63/55/653356355.db2.gz DHCZXTNSLRYMKY-UHFFFAOYSA-N 1 0 391.269 2.266 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(F)cc1C(F)(F)F ZINC000858375579 653361286 /nfs/dbraw/zinc/36/12/86/653361286.db2.gz BQDHDEGCUJTOOL-LLVKDONJSA-N 1 0 384.395 2.157 20 0 GEADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000858376534 653361475 /nfs/dbraw/zinc/36/14/75/653361475.db2.gz MSKFVSSWWHRAHX-CYBMUJFWSA-N 1 0 391.331 2.070 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000836588610 653362212 /nfs/dbraw/zinc/36/22/12/653362212.db2.gz GONCXRGDOLBEEM-MRXNPFEDSA-N 1 0 396.359 2.339 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC000858462148 653364751 /nfs/dbraw/zinc/36/47/51/653364751.db2.gz HEEOMNNCADRKFE-UHFFFAOYSA-N 1 0 376.448 2.451 20 0 GEADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000858498894 653366391 /nfs/dbraw/zinc/36/63/91/653366391.db2.gz XHDXCUYIPLLJDJ-LXTVHRRPSA-N 1 0 377.551 2.128 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1Cl ZINC000858609105 653369319 /nfs/dbraw/zinc/36/93/19/653369319.db2.gz OLXLIWKNAUWQII-IINYFYTJSA-N 1 0 375.878 2.266 20 0 GEADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858608367 653369565 /nfs/dbraw/zinc/36/95/65/653369565.db2.gz RHTRAMSHWYYGCJ-UHFFFAOYSA-N 1 0 379.404 2.078 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000858612487 653369726 /nfs/dbraw/zinc/36/97/26/653369726.db2.gz BUVZVENUYARXPD-UHFFFAOYSA-N 1 0 387.889 2.283 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1Cl ZINC000858611431 653369781 /nfs/dbraw/zinc/36/97/81/653369781.db2.gz JUKTWMLDQFXXAQ-CQSZACIVSA-N 1 0 375.878 2.137 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)CC[C@H]1[NH3+] ZINC000858609959 653369965 /nfs/dbraw/zinc/36/99/65/653369965.db2.gz GBAZOXSMAYGGRY-ZWNOBZJWSA-N 1 0 375.878 2.266 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000858614764 653370318 /nfs/dbraw/zinc/37/03/18/653370318.db2.gz BCQWPYVKCKBBJZ-JTQLQIEISA-N 1 0 382.711 2.116 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000858613076 653370396 /nfs/dbraw/zinc/37/03/96/653370396.db2.gz RNCRDFIEOAURRQ-NSHDSACASA-N 1 0 375.878 2.329 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000858619011 653371036 /nfs/dbraw/zinc/37/10/36/653371036.db2.gz IUVMEJTVWLMINC-GFCCVEGCSA-N 1 0 393.278 2.160 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)ccc1Br ZINC000858620065 653371103 /nfs/dbraw/zinc/37/11/03/653371103.db2.gz TXJWXFRSFSDIPP-CQSZACIVSA-N 1 0 387.299 2.215 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[C@@H]1C(F)(F)F ZINC000858624981 653371908 /nfs/dbraw/zinc/37/19/08/653371908.db2.gz ZLYGDQXDQWSCNX-ZJUUUORDSA-N 1 0 396.822 2.136 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000858625107 653371991 /nfs/dbraw/zinc/37/19/91/653371991.db2.gz NVZZROMGQYWSGL-NWDGAFQWSA-N 1 0 381.281 2.199 20 0 GEADRO O=S(=O)(c1cccc2scnc21)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000858641649 653372731 /nfs/dbraw/zinc/37/27/31/653372731.db2.gz AEFWONGBUZEYDT-AWEZNQCLSA-N 1 0 381.523 2.076 20 0 GEADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000858641587 653372790 /nfs/dbraw/zinc/37/27/90/653372790.db2.gz KCONUFSZJLGHOV-ZETCQYMHSA-N 1 0 375.210 2.436 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000836765484 653375911 /nfs/dbraw/zinc/37/59/11/653375911.db2.gz CZBXHYDNDQPANL-GFCCVEGCSA-N 1 0 385.306 2.461 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1Cl ZINC000858938735 653386683 /nfs/dbraw/zinc/38/66/83/653386683.db2.gz KDUSUQGFWZCIBA-SNVBAGLBSA-N 1 0 375.878 2.279 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCCSCCC(F)(F)F)CC1 ZINC000875726430 653386751 /nfs/dbraw/zinc/38/67/51/653386751.db2.gz MMCZGPDPCRFDLJ-UHFFFAOYSA-N 1 0 383.480 2.167 20 0 GEADRO Cn1nc(Cl)c(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1Cl ZINC000875838749 653393850 /nfs/dbraw/zinc/39/38/50/653393850.db2.gz UQJPJBJFTGRHOF-NSHDSACASA-N 1 0 375.300 2.442 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000859017056 653394297 /nfs/dbraw/zinc/39/42/97/653394297.db2.gz XXDGSHXEXNYRSZ-XHDPSFHLSA-N 1 0 389.905 2.479 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)N1CCOC[C@H]1CCO)c1ccc(Cl)c(Cl)c1 ZINC000875871540 653395186 /nfs/dbraw/zinc/39/51/86/653395186.db2.gz MHTFXNSETCBTON-CZUORRHYSA-N 1 0 390.311 2.389 20 0 GEADRO Cn1nnc(Br)c1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000811506201 653395185 /nfs/dbraw/zinc/39/51/85/653395185.db2.gz YIIIQXGIDVFIJI-NSHDSACASA-N 1 0 386.681 2.264 20 0 GEADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859074877 653401119 /nfs/dbraw/zinc/40/11/19/653401119.db2.gz ISHWXXJSRPTSMA-UHFFFAOYSA-N 1 0 381.420 2.148 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2ccc(Br)cn2)C[C@@H]1C ZINC000876214473 653407236 /nfs/dbraw/zinc/40/72/36/653407236.db2.gz RTJXVNAEHKJZEL-BETUJISGSA-N 1 0 385.306 2.095 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000837175156 653408619 /nfs/dbraw/zinc/40/86/19/653408619.db2.gz YYFWXERYXMKUPZ-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000837185184 653408680 /nfs/dbraw/zinc/40/86/80/653408680.db2.gz UCBDEGDWWFGTJM-AWEZNQCLSA-N 1 0 387.933 2.145 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C(C)C ZINC000859120695 653408673 /nfs/dbraw/zinc/40/86/73/653408673.db2.gz DSZWQLIEXAYTAI-UHFFFAOYSA-N 1 0 381.420 2.196 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000811964570 653414216 /nfs/dbraw/zinc/41/42/16/653414216.db2.gz LMFQCLAHDXXSHO-GFCCVEGCSA-N 1 0 395.305 2.275 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(Br)nc1F ZINC000859166161 653415260 /nfs/dbraw/zinc/41/52/60/653415260.db2.gz TWVFYGMRAYLOCY-SNVBAGLBSA-N 1 0 382.299 2.382 20 0 GEADRO COc1ccc(C(=O)NCC2(SC)CC[NH+](C)CC2)nc1Br ZINC000812256707 653418833 /nfs/dbraw/zinc/41/88/33/653418833.db2.gz VVDJDRWMJABNPT-UHFFFAOYSA-N 1 0 388.331 2.410 20 0 GEADRO CSc1ccc(/C=C\C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000859185371 653419292 /nfs/dbraw/zinc/41/92/92/653419292.db2.gz NQZQVHKMFBTOKG-XQRVVYSFSA-N 1 0 379.551 2.250 20 0 GEADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)C2CCSCC2)n1 ZINC000876316650 653422515 /nfs/dbraw/zinc/42/25/15/653422515.db2.gz IXSZPSNMEUNDNX-UHFFFAOYSA-N 1 0 385.555 2.287 20 0 GEADRO COc1cc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc(Br)c1OC ZINC000812329598 653422882 /nfs/dbraw/zinc/42/28/82/653422882.db2.gz LVHOLRFBRRNCBN-WCQYABFASA-N 1 0 383.286 2.490 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(C(=O)NCc3ncc(Cl)s3)CC2)CC1 ZINC000876371636 653426568 /nfs/dbraw/zinc/42/65/68/653426568.db2.gz XXKODFKNLUMXSS-UHFFFAOYSA-N 1 0 385.965 2.356 20 0 GEADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NCc3ncc(Cl)s3)CC2)CC1 ZINC000876371295 653426579 /nfs/dbraw/zinc/42/65/79/653426579.db2.gz RNHRUIBUWPRDJH-UHFFFAOYSA-N 1 0 385.965 2.497 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(Br)cnc2F)CC1 ZINC000859268661 653430837 /nfs/dbraw/zinc/43/08/37/653430837.db2.gz MXNCYXRYXZJAQH-AWEZNQCLSA-N 1 0 399.308 2.225 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000876552148 653435173 /nfs/dbraw/zinc/43/51/73/653435173.db2.gz LACFGEKQCYFQDX-IAQYHMDHSA-N 1 0 391.896 2.257 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837415215 653435764 /nfs/dbraw/zinc/43/57/64/653435764.db2.gz XPGNTTYBYZZQRY-UHFFFAOYSA-N 1 0 399.333 2.165 20 0 GEADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCCNC(=O)c1cccc(Br)c1 ZINC000876635057 653439534 /nfs/dbraw/zinc/43/95/34/653439534.db2.gz KRNUZBZMQAOLFH-DANTVBBOSA-N 1 0 394.313 2.241 20 0 GEADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCCNC(=O)c1cccc(Br)c1 ZINC000876635060 653439733 /nfs/dbraw/zinc/43/97/33/653439733.db2.gz KRNUZBZMQAOLFH-WBTMPAOCSA-N 1 0 394.313 2.241 20 0 GEADRO O=C(C=C[C@H]1CCC[NH2+]C1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000876640672 653440584 /nfs/dbraw/zinc/44/05/84/653440584.db2.gz BIFKAWVRBJEJHT-CPWLGJMPSA-N 1 0 390.285 2.406 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)CC[NH2+]CC1CC1 ZINC000876658497 653441330 /nfs/dbraw/zinc/44/13/30/653441330.db2.gz XPFBTDNRIHPZBG-UHFFFAOYSA-N 1 0 375.441 2.443 20 0 GEADRO COC(=O)c1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000876687528 653442849 /nfs/dbraw/zinc/44/28/49/653442849.db2.gz KMZWTTNXGGTXKT-DLBZAZTESA-N 1 0 397.313 2.267 20 0 GEADRO C[C@H](NC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000876704825 653443168 /nfs/dbraw/zinc/44/31/68/653443168.db2.gz RLNNHVKTCMMHKD-JPQMIFPKSA-N 1 0 378.416 2.263 20 0 GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876778128 653447120 /nfs/dbraw/zinc/44/71/20/653447120.db2.gz XGRBXNNQELYDPH-PBHICJAKSA-N 1 0 398.320 2.477 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000812965977 653447782 /nfs/dbraw/zinc/44/77/82/653447782.db2.gz XVEDWKHXHLTYOI-CHWSQXEVSA-N 1 0 397.317 2.470 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000812965978 653447911 /nfs/dbraw/zinc/44/79/11/653447911.db2.gz XVEDWKHXHLTYOI-STQMWFEESA-N 1 0 397.317 2.470 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000812965976 653447987 /nfs/dbraw/zinc/44/79/87/653447987.db2.gz XVEDWKHXHLTYOI-BETUJISGSA-N 1 0 397.317 2.470 20 0 GEADRO COCC[NH2+]CCNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000876791296 653448416 /nfs/dbraw/zinc/44/84/16/653448416.db2.gz BVJRZVGBOXBJJN-UHFFFAOYSA-N 1 0 375.694 2.486 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000859357945 653449555 /nfs/dbraw/zinc/44/95/55/653449555.db2.gz PDFYOKHTHZWKFH-UHFFFAOYSA-N 1 0 396.329 2.409 20 0 GEADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859359959 653450132 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Nc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc(Br)n1 ZINC000876922003 653454319 /nfs/dbraw/zinc/45/43/19/653454319.db2.gz WJXLORIKILGJBP-QWHCGFSZSA-N 1 0 379.233 2.132 20 0 GEADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000876947705 653455644 /nfs/dbraw/zinc/45/56/44/653455644.db2.gz FQJRLSFWSXEZHZ-BDAKNGLRSA-N 1 0 382.242 2.454 20 0 GEADRO Cc1c(C[NH3+])c(NC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)nn1C ZINC000876957258 653455944 /nfs/dbraw/zinc/45/59/44/653455944.db2.gz VPTCPTJICTWNFI-NWANDNLSSA-N 1 0 375.270 2.474 20 0 GEADRO C[C@]12CCN(C(=O)CCC3C[NH2+]C3)C[C@H]1C2(Br)Br ZINC000876959003 653456190 /nfs/dbraw/zinc/45/61/90/653456190.db2.gz NYASRHSUCWWXIK-PWSUYJOCSA-N 1 0 380.124 2.341 20 0 GEADRO CN1CC[C@@H]([NH2+]CCS(C)(=O)=O)C[C@H]1c1ccc(Br)cc1 ZINC000876976202 653457347 /nfs/dbraw/zinc/45/73/47/653457347.db2.gz LOIPAUSBGMAFBF-CABCVRRESA-N 1 0 375.332 2.219 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1(F)F ZINC000876969106 653457437 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[NH3+]CCCCn1cc(-c2nc(Cc3ccc(Br)cc3)no2)nn1 ZINC000841822531 653741778 /nfs/dbraw/zinc/74/17/78/653741778.db2.gz RMAWLYOGWBXADO-UHFFFAOYSA-N 1 0 377.246 2.420 20 0 GEADRO CC(C)(C)[S@](=O)CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000819057517 653741909 /nfs/dbraw/zinc/74/19/09/653741909.db2.gz XJCMUVHZYZUDNY-WHEQGISXSA-N 1 0 396.322 2.465 20 0 GEADRO Fc1ccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(I)c1 ZINC000841862884 653742120 /nfs/dbraw/zinc/74/21/20/653742120.db2.gz HPMUWAQMUPIUAG-KGLIPLIRSA-N 1 0 390.240 2.383 20 0 GEADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819061055 653742207 /nfs/dbraw/zinc/74/22/07/653742207.db2.gz NHTCPYGISKCYHD-ZDUSSCGKSA-N 1 0 382.295 2.425 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Cl)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000864620929 653742329 /nfs/dbraw/zinc/74/23/29/653742329.db2.gz RYJALJYZSGUQBH-GDLCADMTSA-N 1 0 385.251 2.392 20 0 GEADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1OCCO[C@H]1C(F)(F)F ZINC000864614155 653742364 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GEADRO Cc1cc(F)ccc1[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000819186683 653745843 /nfs/dbraw/zinc/74/58/43/653745843.db2.gz VHIIZSZIDBENNK-CYBMUJFWSA-N 1 0 392.905 2.451 20 0 GEADRO Cn1nccc1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000819233250 653746730 /nfs/dbraw/zinc/74/67/30/653746730.db2.gz KUZBMJYDHJRGBN-ZDUSSCGKSA-N 1 0 388.693 2.408 20 0 GEADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819237942 653746954 /nfs/dbraw/zinc/74/69/54/653746954.db2.gz RDEIOLQIRQCATF-SMDDNHRTSA-N 1 0 375.238 2.442 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000864864587 653747119 /nfs/dbraw/zinc/74/71/19/653747119.db2.gz COZGHXWKRDLQEZ-IXDOHACOSA-N 1 0 381.314 2.419 20 0 GEADRO C[C@](O)(C[NH2+]CCN1CCCOCC1)c1ccc(Br)cc1F ZINC000819250898 653747207 /nfs/dbraw/zinc/74/72/07/653747207.db2.gz JLCIXAZBJQZZEU-INIZCTEOSA-N 1 0 375.282 2.108 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccccc1F)c1ccc(Cl)cc1F ZINC000819286403 653748015 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GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)ncc2Br)C1 ZINC000864961256 653749659 /nfs/dbraw/zinc/74/96/59/653749659.db2.gz YQZUZDYQNSFIBJ-QMMMGPOBSA-N 1 0 377.080 2.288 20 0 GEADRO COc1cc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cnc1Br ZINC000788134664 653750473 /nfs/dbraw/zinc/75/04/73/653750473.db2.gz FNRATTJITVBZGX-AWEZNQCLSA-N 1 0 398.301 2.180 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000881926372 653750821 /nfs/dbraw/zinc/75/08/21/653750821.db2.gz FAEOGJLRXHMAMH-NPMXOYFQSA-N 1 0 377.576 2.079 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C[C@@H]1C ZINC000881928056 653751006 /nfs/dbraw/zinc/75/10/06/653751006.db2.gz TVMPVMDAFJPXJK-NPGVVQFXSA-N 1 0 379.592 2.466 20 0 GEADRO COc1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cnc1Br ZINC000788162730 653751246 /nfs/dbraw/zinc/75/12/46/653751246.db2.gz PHUDFEZPSWMUBX-UHFFFAOYSA-N 1 0 398.301 2.037 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000881942107 653751962 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COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(Br)sc1Cl ZINC000865170351 653755942 /nfs/dbraw/zinc/75/59/42/653755942.db2.gz DUQOKOCPOXYYEY-MRVPVSSYSA-N 1 0 382.711 2.400 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)N=[S@](C)(=O)C3CCCCC3)CC[C@@H]21 ZINC000881994902 653755975 /nfs/dbraw/zinc/75/59/75/653755975.db2.gz JUJVBGLBNKMGSH-KKAKJJSRSA-N 1 0 377.576 2.078 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1ccc[n+]([O-])c1 ZINC000819739995 653756682 /nfs/dbraw/zinc/75/66/82/653756682.db2.gz QBLNNOOIQZPUFV-UHFFFAOYSA-N 1 0 393.285 2.333 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)N=[S@@](C)(=O)C3CCCCC3)C2)CC1 ZINC000882016946 653757207 /nfs/dbraw/zinc/75/72/07/653757207.db2.gz NVLOLABTCKFDTB-FYSMJZIKSA-N 1 0 391.603 2.325 20 0 GEADRO C[NH+]1CCC(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000788475659 653757317 /nfs/dbraw/zinc/75/73/17/653757317.db2.gz RDCVSZMNFYWELA-UHFFFAOYSA-N 1 0 377.963 2.050 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000842479844 653757732 /nfs/dbraw/zinc/75/77/32/653757732.db2.gz FQIWNIZFXMXKRB-SMDDNHRTSA-N 1 0 381.885 2.269 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000842480826 653757773 /nfs/dbraw/zinc/75/77/73/653757773.db2.gz AILVFYVZFFQOIU-HIFRSBDPSA-N 1 0 386.901 2.279 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c(C)c1Cl ZINC000842483299 653758068 /nfs/dbraw/zinc/75/80/68/653758068.db2.gz IIZCMZLCZJJAMJ-VIFPVBQESA-N 1 0 380.919 2.163 20 0 GEADRO O=S(=O)(/C=C\c1cccc(Cl)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000842483929 653758241 /nfs/dbraw/zinc/75/82/41/653758241.db2.gz XSINKAHYRSLCME-JYRVWZFOSA-N 1 0 383.945 2.447 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)ccc1Br ZINC000842485024 653758474 /nfs/dbraw/zinc/75/84/74/653758474.db2.gz HOFSUMLAMUTALD-OAHLLOKOSA-N 1 0 387.299 2.168 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000842484915 653758479 /nfs/dbraw/zinc/75/84/79/653758479.db2.gz CKURBJXSMIHHAR-UWVGGRQHSA-N 1 0 395.294 2.202 20 0 GEADRO O=S(=O)(CC=C(Cl)Cl)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000882033715 653758540 /nfs/dbraw/zinc/75/85/40/653758540.db2.gz JKIMUJADKCKHMP-GJZGRUSLSA-N 1 0 393.336 2.108 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc(Br)cnc3Cl)C2)nn1 ZINC000842510536 653759201 /nfs/dbraw/zinc/75/92/01/653759201.db2.gz RPIQQXNXOBCIBN-NSHDSACASA-N 1 0 399.680 2.025 20 0 GEADRO CC(C)OCC[NH+]1CCC(Nc2ccc3nnc(Br)n3n2)CC1 ZINC000882049038 653759352 /nfs/dbraw/zinc/75/93/52/653759352.db2.gz WYOVYPRNSNILJV-UHFFFAOYSA-N 1 0 383.294 2.188 20 0 GEADRO C[NH2+]C[C@H](C)c1noc(-c2ccc3ncc(I)n3c2)n1 ZINC000842582284 653759866 /nfs/dbraw/zinc/75/98/66/653759866.db2.gz XYBDQKKCGSTBEA-QMMMGPOBSA-N 1 0 383.193 2.312 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NCCC[NH+]2CCCC2)c(C)c1Cl ZINC000788592465 653760068 /nfs/dbraw/zinc/76/00/68/653760068.db2.gz PBNANGXZTUEDQS-UHFFFAOYSA-N 1 0 380.919 2.261 20 0 GEADRO Ic1cnc2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)cn12 ZINC000842643137 653761455 /nfs/dbraw/zinc/76/14/55/653761455.db2.gz MNNMYWPQLNGETK-SECBINFHSA-N 1 0 381.177 2.413 20 0 GEADRO O=C1c2ccc(Br)cc2C(=O)N1Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842663777 653762148 /nfs/dbraw/zinc/76/21/48/653762148.db2.gz JIKSLVVUIOVIGJ-VIFPVBQESA-N 1 0 391.225 2.095 20 0 GEADRO COc1cc2[nH+]ccc(NC[C@@H](O)c3cnn(C)c3)c2cc1Br ZINC000819919570 653762586 /nfs/dbraw/zinc/76/25/86/653762586.db2.gz PBLCVMZDYASYOR-OAHLLOKOSA-N 1 0 377.242 2.307 20 0 GEADRO COc1ccc(CCS(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1 ZINC000788674811 653763004 /nfs/dbraw/zinc/76/30/04/653763004.db2.gz IMAQMKBKXIJHEX-MSOLQXFVSA-N 1 0 384.567 2.079 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000842689702 653763098 /nfs/dbraw/zinc/76/30/98/653763098.db2.gz KBEZWJXEFDSUGF-WCBMZHEXSA-N 1 0 382.711 2.388 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1Cl ZINC000842697279 653763324 /nfs/dbraw/zinc/76/33/24/653763324.db2.gz RSVAVMZOPSKOGK-VHSXEESVSA-N 1 0 380.919 2.163 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1Cl ZINC000842697280 653763377 /nfs/dbraw/zinc/76/33/77/653763377.db2.gz RSVAVMZOPSKOGK-ZJUUUORDSA-N 1 0 380.919 2.163 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000882115398 653763325 /nfs/dbraw/zinc/76/33/25/653763325.db2.gz CCROCBBMNWPRBE-QHCPKHFHSA-N 1 0 379.592 2.470 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000842696153 653763462 /nfs/dbraw/zinc/76/34/62/653763462.db2.gz NSONYTUVFIUNHU-SNVBAGLBSA-N 1 0 381.267 2.017 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000842699972 653763517 /nfs/dbraw/zinc/76/35/17/653763517.db2.gz SRKCELWVZOZRNS-UWVGGRQHSA-N 1 0 395.294 2.263 20 0 GEADRO Brc1nnc2ccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nn12 ZINC000882118791 653763557 /nfs/dbraw/zinc/76/35/57/653763557.db2.gz AQWSRTMSXZEVSS-WCQYABFASA-N 1 0 377.290 2.340 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000842703180 653763746 /nfs/dbraw/zinc/76/37/46/653763746.db2.gz VXYVVCYSXUWPEF-UHFFFAOYSA-N 1 0 399.310 2.437 20 0 GEADRO Cc1ccnc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c1Br ZINC000865405706 653764427 /nfs/dbraw/zinc/76/44/27/653764427.db2.gz SDQOTPITWBSIMS-UHFFFAOYSA-N 1 0 395.301 2.497 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000882133015 653764748 /nfs/dbraw/zinc/76/47/48/653764748.db2.gz AYJORWMAZJCKSP-HSZRJFAPSA-N 1 0 377.576 2.126 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)c1Cl ZINC000842727360 653764956 /nfs/dbraw/zinc/76/49/56/653764956.db2.gz XISNHAIIVJDHNS-VHSXEESVSA-N 1 0 380.919 2.244 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000842737661 653765402 /nfs/dbraw/zinc/76/54/02/653765402.db2.gz RALWCUZTSJJEIO-UHFFFAOYSA-N 1 0 383.283 2.202 20 0 GEADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccc(I)c1 ZINC000842737073 653765419 /nfs/dbraw/zinc/76/54/19/653765419.db2.gz NAYGYSBRBAAGAX-UHFFFAOYSA-N 1 0 394.278 2.182 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(Cl)cc1Cl ZINC000842746579 653765714 /nfs/dbraw/zinc/76/57/14/653765714.db2.gz FSRXBANXUJPGTD-SNVBAGLBSA-N 1 0 393.292 2.295 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000788912764 653766058 /nfs/dbraw/zinc/76/60/58/653766058.db2.gz LRGGWZVAYQVQQJ-MNOVXSKESA-N 1 0 376.935 2.448 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)ccc1Cl ZINC000865514733 653767185 /nfs/dbraw/zinc/76/71/85/653767185.db2.gz SLEHVJUNGVALSD-BZPMIXESSA-N 1 0 378.972 2.457 20 0 GEADRO Brc1cccc(NCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)c1 ZINC000865524603 653767626 /nfs/dbraw/zinc/76/76/26/653767626.db2.gz YGVCCVCXHHNSSH-MRXNPFEDSA-N 1 0 380.290 2.421 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c1 ZINC000842798079 653768048 /nfs/dbraw/zinc/76/80/48/653768048.db2.gz PLGAWWNKHGLBAM-UHFFFAOYSA-N 1 0 375.288 2.006 20 0 GEADRO COc1cc(I)ccc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000865607874 653769853 /nfs/dbraw/zinc/76/98/53/653769853.db2.gz APUTTWLFGMCVAD-LLVKDONJSA-N 1 0 388.249 2.371 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c(Cl)cc1Cl ZINC000842836636 653770016 /nfs/dbraw/zinc/77/00/16/653770016.db2.gz UJMMYFBXMLLVIG-DTWKUNHWSA-N 1 0 381.281 2.151 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(Cl)cc1Cl ZINC000842833700 653770033 /nfs/dbraw/zinc/77/00/33/653770033.db2.gz LZJUJPWJMYPZEN-QPUJVOFHSA-N 1 0 381.281 2.056 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2c(I)cnn2C)C1 ZINC000842829123 653770050 /nfs/dbraw/zinc/77/00/50/653770050.db2.gz HNPJCVYKNXPPRK-LLVKDONJSA-N 1 0 391.253 2.302 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000865622416 653770159 /nfs/dbraw/zinc/77/01/59/653770159.db2.gz VEWZQKZFIIJCTJ-FQEVSTJZSA-N 1 0 375.210 2.253 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CCC([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000865621188 653770308 /nfs/dbraw/zinc/77/03/08/653770308.db2.gz WVCPLPYUUZXVSF-MRXNPFEDSA-N 1 0 382.302 2.179 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cc2n(n1)CCCC2 ZINC000842852663 653770645 /nfs/dbraw/zinc/77/06/45/653770645.db2.gz SYHOMPREOVPORR-GFCCVEGCSA-N 1 0 376.473 2.134 20 0 GEADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842872646 653771360 /nfs/dbraw/zinc/77/13/60/653771360.db2.gz FJXUCWZQKWTYLU-KGLIPLIRSA-N 1 0 382.917 2.388 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c(C)c1Cl ZINC000842873971 653771540 /nfs/dbraw/zinc/77/15/40/653771540.db2.gz RAXDLLIXFBNBJI-UHFFFAOYSA-N 1 0 392.930 2.261 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000865868454 653778086 /nfs/dbraw/zinc/77/80/86/653778086.db2.gz JUJIGBZWJLWOII-XCBNKYQSSA-N 1 0 389.159 2.224 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842916694 653773651 /nfs/dbraw/zinc/77/36/51/653773651.db2.gz ZHBCHGQXKFTJBH-JGVFFNPUSA-N 1 0 395.710 2.154 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1cccc(NS(C)(=O)=O)c1 ZINC000820427056 653774333 /nfs/dbraw/zinc/77/43/33/653774333.db2.gz OUTWMPCGEIXBFQ-SNVBAGLBSA-N 1 0 378.483 2.151 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)c2ccc(I)cc2O)CC1 ZINC000865791314 653775226 /nfs/dbraw/zinc/77/52/26/653775226.db2.gz SEMLDSATQFRJKX-UHFFFAOYSA-N 1 0 388.249 2.411 20 0 GEADRO COC[C@@H](CN1CCO[C@@H](C)C1)OC(=O)c1cc(OC)cc(Cl)c1F ZINC000842967692 653775499 /nfs/dbraw/zinc/77/54/99/653775499.db2.gz NWLNUBSJFUBXSF-WCQYABFASA-N 1 0 375.824 2.380 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc(Br)cc3S(N)(=O)=O)C2)C1 ZINC000865832910 653776770 /nfs/dbraw/zinc/77/67/70/653776770.db2.gz RLCOTKUAOXYAFA-OAHLLOKOSA-N 1 0 388.331 2.019 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000843038238 653777744 /nfs/dbraw/zinc/77/77/44/653777744.db2.gz HZNWTXYWZACUJT-IUCAKERBSA-N 1 0 383.392 2.236 20 0 GEADRO O[C@H](CNC[C@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000843061278 653778326 /nfs/dbraw/zinc/77/83/26/653778326.db2.gz DJVUIUDAOKKBEZ-CJNGLKHVSA-N 1 0 375.282 2.058 20 0 GEADRO OCCCN1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843089309 653778960 /nfs/dbraw/zinc/77/89/60/653778960.db2.gz QFFPVCJSIGTNQH-CJNGLKHVSA-N 1 0 375.282 2.058 20 0 GEADRO OCCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843093855 653779125 /nfs/dbraw/zinc/77/91/25/653779125.db2.gz OMQJCYQMQYAUKU-CZUORRHYSA-N 1 0 375.282 2.058 20 0 GEADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccn1)COc1cc(F)cc(Br)c1 ZINC000843094247 653779142 /nfs/dbraw/zinc/77/91/42/653779142.db2.gz ITGPREYLIOBTJR-CZUORRHYSA-N 1 0 385.233 2.046 20 0 GEADRO C[C@@H]1C[C@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000820656114 653779700 /nfs/dbraw/zinc/77/97/00/653779700.db2.gz DCMHBPCISVVLSD-KOLCDFICSA-N 1 0 377.905 2.432 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)Cc1cccnc1 ZINC000843112199 653779761 /nfs/dbraw/zinc/77/97/61/653779761.db2.gz XFSHGPIYXJOJOK-SUMWQHHRSA-N 1 0 383.261 2.457 20 0 GEADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(Br)no1 ZINC000865929051 653779983 /nfs/dbraw/zinc/77/99/83/653779983.db2.gz XKNJRVUFPIOJBQ-UHFFFAOYSA-N 1 0 394.269 2.324 20 0 GEADRO CN(Cc1nc(CC2CC[NH2+]CC2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000843133753 653780174 /nfs/dbraw/zinc/78/01/74/653780174.db2.gz HGWQHVVABIVZCP-UHFFFAOYSA-N 1 0 384.889 2.086 20 0 GEADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccccc1I ZINC000843122742 653780312 /nfs/dbraw/zinc/78/03/12/653780312.db2.gz UFCFSIXLZYMLNH-AWEZNQCLSA-N 1 0 382.249 2.171 20 0 GEADRO [NH3+]C1CCN(c2ccc(-c3noc(C[C@@H]4CSCCS4)n3)cn2)CC1 ZINC000843146438 653780388 /nfs/dbraw/zinc/78/03/88/653780388.db2.gz JGWUMLXENRPMJM-CQSZACIVSA-N 1 0 377.539 2.450 20 0 GEADRO CC(C)[C@H]([NH3+])c1noc(Cn2cnc3ccc(Br)cc3c2=O)n1 ZINC000843155733 653780768 /nfs/dbraw/zinc/78/07/68/653780768.db2.gz WMIWUUFNSUJBFN-ZDUSSCGKSA-N 1 0 378.230 2.246 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1nc(C2CC2)ncc1Br ZINC000820716577 653780885 /nfs/dbraw/zinc/78/08/85/653780885.db2.gz YABWQNPHYLWLCW-UHFFFAOYSA-N 1 0 379.262 2.127 20 0 GEADRO Cc1c(-c2nc(-c3cncc(Br)c3)no2)nnn1C1CC[NH2+]CC1 ZINC000843176822 653780904 /nfs/dbraw/zinc/78/09/04/653780904.db2.gz WHYVHTFCSCKXDR-UHFFFAOYSA-N 1 0 390.245 2.386 20 0 GEADRO [NH3+][C@H](Cc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1)C1CC1 ZINC000843202727 653781420 /nfs/dbraw/zinc/78/14/20/653781420.db2.gz JHQSQMBFNGOHFJ-GFCCVEGCSA-N 1 0 380.242 2.474 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000882432474 653781530 /nfs/dbraw/zinc/78/15/30/653781530.db2.gz SSZDDNUHUIFIIE-RYUDHWBXSA-N 1 0 382.452 2.180 20 0 GEADRO COc1nc(-c2noc(C[C@H](C)[C@H]3CCC[NH2+]C3)n2)ncc1Br ZINC000843212307 653781616 /nfs/dbraw/zinc/78/16/16/653781616.db2.gz FDOLBQKHVZSPOP-UWVGGRQHSA-N 1 0 382.262 2.476 20 0 GEADRO C[C@@H](NC(=O)Cc1noc([C@@H]2C[NH2+]CCO2)n1)c1ccc(Cl)cc1Cl ZINC000843225811 653781965 /nfs/dbraw/zinc/78/19/65/653781965.db2.gz LVJHUUKXIWCAHQ-RNCFNFMXSA-N 1 0 385.251 2.457 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)c1ccc(I)cc1O ZINC000865975883 653782029 /nfs/dbraw/zinc/78/20/29/653782029.db2.gz COIORZUTNSJTEC-UHFFFAOYSA-N 1 0 376.238 2.411 20 0 GEADRO [NH3+]CCOCc1nc(C2(c3ccc(Br)cc3)CCOCC2)no1 ZINC000843230193 653782123 /nfs/dbraw/zinc/78/21/23/653782123.db2.gz JMDXSFBNSMDHHF-UHFFFAOYSA-N 1 0 382.258 2.404 20 0 GEADRO O=C(NCc1noc(CC[C@H]2CC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000843230199 653782125 /nfs/dbraw/zinc/78/21/25/653782125.db2.gz JYHKDZIVSRCGDR-NSHDSACASA-N 1 0 379.258 2.304 20 0 GEADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Br)no1 ZINC000865983061 653782385 /nfs/dbraw/zinc/78/23/85/653782385.db2.gz CYUZSVSMJWSBSP-CQSZACIVSA-N 1 0 394.269 2.458 20 0 GEADRO Cc1cc(S(=O)(=O)NCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c(C)s1 ZINC000820823424 653784492 /nfs/dbraw/zinc/78/44/92/653784492.db2.gz NCMDEXPOEYCUEL-ZXFUBFMLSA-N 1 0 383.583 2.391 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)ncc1Br ZINC000882498560 653784967 /nfs/dbraw/zinc/78/49/67/653784967.db2.gz WMPFLHIATJQQLW-QMMMGPOBSA-N 1 0 377.080 2.431 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000866067000 653784968 /nfs/dbraw/zinc/78/49/68/653784968.db2.gz AKITZUGBHJBKMP-JKSUJKDBSA-N 1 0 382.302 2.179 20 0 GEADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000843361179 653785782 /nfs/dbraw/zinc/78/57/82/653785782.db2.gz ABBOBYIFZROYSY-LQDVMPOASA-N 1 0 377.286 2.301 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Br)cnc1Cl ZINC000843428808 653786887 /nfs/dbraw/zinc/78/68/87/653786887.db2.gz NITGHZYPPMFKKP-JTQLQIEISA-N 1 0 375.698 2.049 20 0 GEADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)C1(n2cccn2)CC[NH2+]CC1 ZINC000843438240 653787046 /nfs/dbraw/zinc/78/70/46/653787046.db2.gz MXLIHZNLDUGXGE-HNNXBMFYSA-N 1 0 383.279 2.118 20 0 GEADRO C[NH+](C)C1(C)CCC(Nc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000866148702 653787107 /nfs/dbraw/zinc/78/71/07/653787107.db2.gz PGZFRLDNVCNCIP-UHFFFAOYSA-N 1 0 391.335 2.166 20 0 GEADRO [NH3+][C@@H](C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000843445182 653787177 /nfs/dbraw/zinc/78/71/77/653787177.db2.gz YITXXCOWJZMANR-CYBMUJFWSA-N 1 0 377.794 2.257 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc(Cl)n1 ZINC000843444429 653787234 /nfs/dbraw/zinc/78/72/34/653787234.db2.gz SITKNTYHQHMXBT-RBSFLKMASA-N 1 0 387.933 2.248 20 0 GEADRO O=C(/C=C/c1ccc(I)o1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843474544 653787733 /nfs/dbraw/zinc/78/77/33/653787733.db2.gz PTHNNXMCVNUFAC-SJDLMVEWSA-N 1 0 386.233 2.500 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)/C=C/c1ccc(C)cc1Br ZINC000843476891 653787990 /nfs/dbraw/zinc/78/79/90/653787990.db2.gz HPCQYLNRLPNHTC-LQYUOIDQSA-N 1 0 381.270 2.134 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843487034 653788269 /nfs/dbraw/zinc/78/82/69/653788269.db2.gz ZAMFMIJUJIRSFK-GHMZBOCLSA-N 1 0 378.466 2.206 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000843502815 653788484 /nfs/dbraw/zinc/78/84/84/653788484.db2.gz HBOUBQHWGCILBS-GFCCVEGCSA-N 1 0 376.400 2.385 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000843506178 653788650 /nfs/dbraw/zinc/78/86/50/653788650.db2.gz YEKYMVKMZIJWML-RYUDHWBXSA-N 1 0 375.922 2.226 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2cc(Br)ccc2C1 ZINC000790290471 653788969 /nfs/dbraw/zinc/78/89/69/653788969.db2.gz MDQIJPGKHBSDSL-IAGOWNOFSA-N 1 0 394.313 2.380 20 0 GEADRO CC(=O)N[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)c1cccc(Br)c1 ZINC000866271436 653789660 /nfs/dbraw/zinc/78/96/60/653789660.db2.gz KZOOMJXSWAGRHS-MLGOLLRUSA-N 1 0 382.302 2.084 20 0 GEADRO CCOC(=O)c1csc([C@H]2CCCN2C(=S)NC2CC[NH+](C)CC2)n1 ZINC000790355182 653789754 /nfs/dbraw/zinc/78/97/54/653789754.db2.gz OHAWJLYEOGCCHC-CQSZACIVSA-N 1 0 382.555 2.425 20 0 GEADRO Cn1nc(Br)c2c1ncnc2NC1CC[NH+](C2CCOCC2)CC1 ZINC000882593624 653790073 /nfs/dbraw/zinc/79/00/73/653790073.db2.gz OQOZTEKULFISHX-UHFFFAOYSA-N 1 0 395.305 2.181 20 0 GEADRO CN(Cc1ccc(Br)o1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790369733 653790138 /nfs/dbraw/zinc/79/01/38/653790138.db2.gz LWZIMLDWQMONQZ-INIZCTEOSA-N 1 0 384.274 2.348 20 0 GEADRO O=C1O[C@@]2(CN1CN1CCSC[C@H]1c1nccs1)C[NH+]1CCC2CC1 ZINC000790389337 653790687 /nfs/dbraw/zinc/79/06/87/653790687.db2.gz VIHOSHMCZYVDQZ-WMLDXEAASA-N 1 0 380.539 2.107 20 0 GEADRO CC(=O)NCC1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000866352849 653791395 /nfs/dbraw/zinc/79/13/95/653791395.db2.gz UZTVGBSOAKTYMU-MOQPWLNLSA-N 1 0 382.302 2.260 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790514771 653792980 /nfs/dbraw/zinc/79/29/80/653792980.db2.gz GXHZGEQSVRJPNS-UHFFFAOYSA-N 1 0 382.917 2.098 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000843778743 653793778 /nfs/dbraw/zinc/79/37/78/653793778.db2.gz KPBHKXLLLUBZMA-WDEREUQCSA-N 1 0 387.249 2.190 20 0 GEADRO Cc1c(Cl)c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)sc1S(N)(=O)=O ZINC000843840511 653795372 /nfs/dbraw/zinc/79/53/72/653795372.db2.gz CPHCYXKZDBWUDD-JTQLQIEISA-N 1 0 393.962 2.160 20 0 GEADRO C[C@H](CNC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)C[NH+]1CCN(C)CC1 ZINC000790757109 653796638 /nfs/dbraw/zinc/79/66/38/653796638.db2.gz ANZFWRRTMQHUIB-IJEWVQPXSA-N 1 0 377.360 2.095 20 0 GEADRO Cn1ncc(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)c1Br ZINC000866469704 653797319 /nfs/dbraw/zinc/79/73/19/653797319.db2.gz JRYMEGJDGGYDPZ-UHFFFAOYSA-N 1 0 393.351 2.116 20 0 GEADRO Cn1cc(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)c(Br)n1 ZINC000866470446 653797439 /nfs/dbraw/zinc/79/74/39/653797439.db2.gz TZAJFTSUTUKPFG-UHFFFAOYSA-N 1 0 393.351 2.116 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(C2SCCS2)cc1 ZINC000844041292 653799872 /nfs/dbraw/zinc/79/98/72/653799872.db2.gz QBDUCMUMMOBOQO-CYBMUJFWSA-N 1 0 379.551 2.357 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@H]3CCc4c3cc(Br)cc4F)COCCN12 ZINC000866519073 653800211 /nfs/dbraw/zinc/80/02/11/653800211.db2.gz LRBLAGKUMKNLKR-HOCLYGCPSA-N 1 0 385.233 2.386 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@H](c3nc(Br)cs3)C3CC3)COCCN12 ZINC000866523494 653800668 /nfs/dbraw/zinc/80/06/68/653800668.db2.gz PYMRQLVRWZCFFV-SMDDNHRTSA-N 1 0 388.287 2.168 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(Br)c1 ZINC000866539731 653801299 /nfs/dbraw/zinc/80/12/99/653801299.db2.gz FIMHKZRPGBTVNK-LQAWEQHXSA-N 1 0 394.313 2.225 20 0 GEADRO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000844290204 653804255 /nfs/dbraw/zinc/80/42/55/653804255.db2.gz JGZBKDFYMLRXIX-HNNXBMFYSA-N 1 0 377.551 2.085 20 0 GEADRO OCC1([NH2+]CC2CC2)CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000844333778 653805165 /nfs/dbraw/zinc/80/51/65/653805165.db2.gz ASWIQRQKRPNKMH-KRWDZBQOSA-N 1 0 383.330 2.309 20 0 GEADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1c(I)cnn1C ZINC000866632275 653807516 /nfs/dbraw/zinc/80/75/16/653807516.db2.gz WQVGCSLQFFSIIT-JTQLQIEISA-N 1 0 393.269 2.482 20 0 GEADRO O=C1N[C@H]2CN(Cc3c(Cl)cncc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000866666231 653809223 /nfs/dbraw/zinc/80/92/23/653809223.db2.gz NTAUXMKXADGALW-HOTGVXAUSA-N 1 0 384.311 2.109 20 0 GEADRO Cc1cnc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(Br)c1 ZINC000882813296 653810807 /nfs/dbraw/zinc/81/08/07/653810807.db2.gz JZUQHVZBZQTFAI-UHFFFAOYSA-N 1 0 381.318 2.463 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H]2[C@H](C(=O)OC)C2(F)F)c1 ZINC000894991202 653811263 /nfs/dbraw/zinc/81/12/63/653811263.db2.gz PYMWRGWLGBSNFH-CHWSQXEVSA-N 1 0 381.828 2.278 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)ccc1Br ZINC000894988944 653811446 /nfs/dbraw/zinc/81/14/46/653811446.db2.gz NZTLVHHWZWXTOI-NEPJUHHUSA-N 1 0 389.315 2.109 20 0 GEADRO C[NH+](C)C[C@]1(O)CCN(c2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000895010089 653812460 /nfs/dbraw/zinc/81/24/60/653812460.db2.gz LPHIZSDYASGZAG-QGZVFWFLSA-N 1 0 377.286 2.409 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)C1 ZINC000821955208 653813241 /nfs/dbraw/zinc/81/32/41/653813241.db2.gz NINZPFDPYIXNIM-HNNXBMFYSA-N 1 0 387.705 2.317 20 0 GEADRO CCOCC[NH+]1CCN(Cn2nc(-c3ccc(Cl)s3)ccc2=O)CC1 ZINC000844693485 653813569 /nfs/dbraw/zinc/81/35/69/653813569.db2.gz YXTLCHWNFVEKOD-UHFFFAOYSA-N 1 0 382.917 2.237 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714053 653814246 /nfs/dbraw/zinc/81/42/46/653814246.db2.gz DXEUYCTVJPMURA-SRMUXQRQSA-N 1 0 380.286 2.377 20 0 GEADRO Cc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)n1 ZINC000822030628 653816779 /nfs/dbraw/zinc/81/67/79/653816779.db2.gz WNACAMXIHZYULE-ZDUSSCGKSA-N 1 0 383.290 2.215 20 0 GEADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866741715 653817794 /nfs/dbraw/zinc/81/77/94/653817794.db2.gz HSWHEHGBJDPLQM-UHFFFAOYSA-N 1 0 379.404 2.078 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1csc(I)n1 ZINC000822100025 653818378 /nfs/dbraw/zinc/81/83/78/653818378.db2.gz AERKLXPJPFGXNG-SECBINFHSA-N 1 0 379.267 2.352 20 0 GEADRO CC(C)(C)OCCC[NH+]1CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000882929583 653818444 /nfs/dbraw/zinc/81/84/44/653818444.db2.gz KXDLWONFBORQND-UHFFFAOYSA-N 1 0 397.321 2.214 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1nc(Br)ccc1F ZINC000791652464 653820266 /nfs/dbraw/zinc/82/02/66/653820266.db2.gz CJQSTPIPXIDOHR-KGYLQXTDSA-N 1 0 386.265 2.307 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)C1N=NC(=O)N1C ZINC000895178605 653821575 /nfs/dbraw/zinc/82/15/75/653821575.db2.gz WOJHXPKNKQJUCL-NXEZZACHSA-N 1 0 382.262 2.351 20 0 GEADRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1c(I)cnn1C)C(C)C ZINC000895189972 653822275 /nfs/dbraw/zinc/82/22/75/653822275.db2.gz GVHIEKOEVRMGMP-GFCCVEGCSA-N 1 0 393.269 2.481 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866771658 653822686 /nfs/dbraw/zinc/82/26/86/653822686.db2.gz HQGLZFFKWVVPCR-JSGCOSHPSA-N 1 0 394.324 2.295 20 0 GEADRO O=C([C@@H]1CSCCS1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000844850566 653822844 /nfs/dbraw/zinc/82/28/44/653822844.db2.gz UTLIARGKMMNMCP-BZSNNMDCSA-N 1 0 378.563 2.337 20 0 GEADRO CN1CCN(c2ccc(NC(=O)C[C@@H]3CC[N@H+](C)C3)cc2Br)CC1 ZINC000822339583 653823659 /nfs/dbraw/zinc/82/36/59/653823659.db2.gz GXZCDZKZMFSEAH-AWEZNQCLSA-N 1 0 395.345 2.481 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000866778720 653824468 /nfs/dbraw/zinc/82/44/68/653824468.db2.gz BYIJJCMSWQNWDY-AWEZNQCLSA-N 1 0 389.315 2.162 20 0 GEADRO CCOC(=O)c1nc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000895245537 653824595 /nfs/dbraw/zinc/82/45/95/653824595.db2.gz BMAKIXKSZHYPOP-WCQYABFASA-N 1 0 385.306 2.067 20 0 GEADRO CC(C)(C)OC(=O)N1CC(O)(C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895272636 653825569 /nfs/dbraw/zinc/82/55/69/653825569.db2.gz LNKCHLLGLLMAGA-UHFFFAOYSA-N 1 0 381.420 2.319 20 0 GEADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2c(I)cnn2C)cn1 ZINC000895277250 653825905 /nfs/dbraw/zinc/82/59/05/653825905.db2.gz CQGPCMMSCFMEND-JSGCOSHPSA-N 1 0 399.280 2.259 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000866794804 653827634 /nfs/dbraw/zinc/82/76/34/653827634.db2.gz RUYNKQGXCGGIPL-HOMQSWHASA-N 1 0 395.294 2.393 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]1Cc1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000844919832 653829704 /nfs/dbraw/zinc/82/97/04/653829704.db2.gz NPLATXYKPDFCQD-WCQYABFASA-N 1 0 379.258 2.432 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)C[C@@H]1C(F)(F)F ZINC000895368773 653830083 /nfs/dbraw/zinc/83/00/83/653830083.db2.gz KUJCXAXNPZSGCX-ITGHMWBKSA-N 1 0 385.448 2.452 20 0 GEADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCCC[NH+](C)C ZINC000792015869 653831931 /nfs/dbraw/zinc/83/19/31/653831931.db2.gz JMHZHQPESLUONJ-GFCCVEGCSA-N 1 0 392.315 2.354 20 0 GEADRO NC(=O)c1cn(C2CC[NH+](Cc3cc4ccnc(Cl)c4s3)CC2)nn1 ZINC000895393823 653832052 /nfs/dbraw/zinc/83/20/52/653832052.db2.gz PQEUUNJXMZVZMZ-UHFFFAOYSA-N 1 0 376.873 2.477 20 0 GEADRO COCCC1(NS(=O)(=O)c2cc(C)c(Br)s2)CC[NH2+]CC1 ZINC000866822085 653833062 /nfs/dbraw/zinc/83/30/62/653833062.db2.gz VTZDVPCLVJAOOV-UHFFFAOYSA-N 1 0 397.360 2.256 20 0 GEADRO C[C@@H]([NH2+]CCc1ccns1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000883247927 653833237 /nfs/dbraw/zinc/83/32/37/653833237.db2.gz BKLBIVYIYZJFKX-CQSZACIVSA-N 1 0 381.523 2.057 20 0 GEADRO Cc1c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cnn1-c1ccc(Cl)cc1 ZINC000866827512 653834028 /nfs/dbraw/zinc/83/40/28/653834028.db2.gz NYHSLPJPBICVTG-HZPDHXFCSA-N 1 0 380.901 2.349 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866826805 653834060 /nfs/dbraw/zinc/83/40/60/653834060.db2.gz CXAABCAJSTXTNO-VHSXEESVSA-N 1 0 380.695 2.013 20 0 GEADRO Cc1c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cnn1-c1ccc(Cl)cc1 ZINC000866827513 653834070 /nfs/dbraw/zinc/83/40/70/653834070.db2.gz NYHSLPJPBICVTG-JKSUJKDBSA-N 1 0 380.901 2.349 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000883290737 653834188 /nfs/dbraw/zinc/83/41/88/653834188.db2.gz FFQHEFIGWYXJRF-UHFFFAOYSA-N 1 0 390.347 2.493 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866827945 653834369 /nfs/dbraw/zinc/83/43/69/653834369.db2.gz UBQZKXAPMHQGOP-QWHCGFSZSA-N 1 0 389.315 2.281 20 0 GEADRO Cn1cc(C[NH2+]C2(c3cc(Cl)cc(Br)c3)CC2)c(=O)n(C)c1=O ZINC000883303843 653834869 /nfs/dbraw/zinc/83/48/69/653834869.db2.gz HTIPSIPUUSUMEA-UHFFFAOYSA-N 1 0 398.688 2.279 20 0 GEADRO Cn1ccn2c(CNCc3cc(Br)c(Cl)s3)nnc2c1=O ZINC000883332377 653835555 /nfs/dbraw/zinc/83/55/55/653835555.db2.gz UIVNDSKIDDZDCV-UHFFFAOYSA-N 1 0 388.678 2.195 20 0 GEADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCc3cnc(Cl)s3)cc21 ZINC000822671934 653836099 /nfs/dbraw/zinc/83/60/99/653836099.db2.gz SDPCJTBBYSWHBL-UHFFFAOYSA-N 1 0 379.873 2.343 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1I)c1cccs1 ZINC000895465220 653836349 /nfs/dbraw/zinc/83/63/49/653836349.db2.gz QSJJDKGJJUFXGP-SECBINFHSA-N 1 0 390.250 2.109 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)Cc1cscc1Br ZINC000883347494 653836448 /nfs/dbraw/zinc/83/64/48/653836448.db2.gz SWZIJIRDIOVJKU-LBPRGKRZSA-N 1 0 389.363 2.288 20 0 GEADRO CN(C(=O)c1nc(Br)ccc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000792164160 653836640 /nfs/dbraw/zinc/83/66/40/653836640.db2.gz HOEZLDMWTCZSOZ-CYBMUJFWSA-N 1 0 399.308 2.224 20 0 GEADRO C[NH+](C)CCCOC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000792184071 653836932 /nfs/dbraw/zinc/83/69/32/653836932.db2.gz HIKRQJPMCFGSTL-HNNXBMFYSA-N 1 0 383.286 2.435 20 0 GEADRO Cc1nc(C)c(CC(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)s1 ZINC000895468361 653837002 /nfs/dbraw/zinc/83/70/02/653837002.db2.gz TZKOFTUMBKAFAE-HNNXBMFYSA-N 1 0 378.567 2.469 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Cl)NCCCC[N@H+]1CCC[C@H]1CO ZINC000866844566 653837179 /nfs/dbraw/zinc/83/71/79/653837179.db2.gz SWRFKYACOMUHOT-HNNXBMFYSA-N 1 0 378.897 2.135 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883362152 653837428 /nfs/dbraw/zinc/83/74/28/653837428.db2.gz VKXZVEGARFJYLS-SKDRFNHKSA-N 1 0 390.374 2.160 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883374313 653837751 /nfs/dbraw/zinc/83/77/51/653837751.db2.gz XRTMXGSLJLNOCB-LERXQTSPSA-N 1 0 389.315 2.331 20 0 GEADRO Brc1cscc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371169 653837695 /nfs/dbraw/zinc/83/76/95/653837695.db2.gz AHQXMGBGUNRLBF-HNNXBMFYSA-N 1 0 388.375 2.397 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C[C@H]1C ZINC000866855565 653838648 /nfs/dbraw/zinc/83/86/48/653838648.db2.gz PXJHMNIEDMGNTD-QWJLCTJOSA-N 1 0 391.534 2.332 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCc2sccc2Br)C1 ZINC000883435935 653839864 /nfs/dbraw/zinc/83/98/64/653839864.db2.gz GUGPZOQQGMHJRF-NSHDSACASA-N 1 0 376.320 2.073 20 0 GEADRO C[C@@H]1CN(Cc2cn(C)nc2I)CCN1c1cc[nH+]cc1 ZINC000895557608 653840908 /nfs/dbraw/zinc/84/09/08/653840908.db2.gz PBSUWBFNLVLVTJ-GFCCVEGCSA-N 1 0 397.264 2.130 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000895559473 653840958 /nfs/dbraw/zinc/84/09/58/653840958.db2.gz LEKMDXYUBDSDSB-INIZCTEOSA-N 1 0 393.281 2.274 20 0 GEADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000883469646 653841001 /nfs/dbraw/zinc/84/10/01/653841001.db2.gz WVGIFUVPOONFGH-UHFFFAOYSA-N 1 0 397.722 2.197 20 0 GEADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(N)nc(Br)c2)cc1 ZINC000822803805 653841166 /nfs/dbraw/zinc/84/11/66/653841166.db2.gz MQXXFPKKKBMPLV-CQSZACIVSA-N 1 0 393.285 2.468 20 0 GEADRO Cc1cccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c1Br ZINC000883472125 653841291 /nfs/dbraw/zinc/84/12/91/653841291.db2.gz OWPVTQBVPJDVAI-UHFFFAOYSA-N 1 0 375.210 2.269 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1cc(Br)ccc1F ZINC000883472314 653841668 /nfs/dbraw/zinc/84/16/68/653841668.db2.gz ZHVVIGGTOIMMIW-UHFFFAOYSA-N 1 0 379.173 2.100 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C2 ZINC000883480923 653842276 /nfs/dbraw/zinc/84/22/76/653842276.db2.gz REKJYENJIGPHNO-UHFFFAOYSA-N 1 0 399.366 2.044 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000883481151 653842702 /nfs/dbraw/zinc/84/27/02/653842702.db2.gz ZAJRTYKNSZATGQ-UHFFFAOYSA-N 1 0 387.914 2.149 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)c1cnn(C(C)C)c1I ZINC000866883203 653842935 /nfs/dbraw/zinc/84/29/35/653842935.db2.gz MDDBFZGEBALVNL-UHFFFAOYSA-N 1 0 392.285 2.481 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000895603587 653842951 /nfs/dbraw/zinc/84/29/51/653842951.db2.gz ZPZRFZZYUAEUFD-UHFFFAOYSA-N 1 0 383.334 2.146 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895602599 653843019 /nfs/dbraw/zinc/84/30/19/653843019.db2.gz KKEBEKZPPKNTJF-IRXDYDNUSA-N 1 0 396.329 2.498 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)CC1 ZINC000883483263 653843017 /nfs/dbraw/zinc/84/30/17/653843017.db2.gz ZGJYVTNTIUVMEO-UHFFFAOYSA-N 1 0 385.917 2.141 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883567357 653845690 /nfs/dbraw/zinc/84/56/90/653845690.db2.gz WWCHISAXQCNAKX-NCOADZHNSA-N 1 0 385.599 2.309 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592260 653846125 /nfs/dbraw/zinc/84/61/25/653846125.db2.gz BNSQQHPOOUTEGD-SNVBAGLBSA-N 1 0 383.246 2.044 20 0 GEADRO C[NH+](C)C1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000895696762 653846203 /nfs/dbraw/zinc/84/62/03/653846203.db2.gz GPMNVUJVMWZVTN-HNNXBMFYSA-N 1 0 381.270 2.083 20 0 GEADRO CC[C@H]1CN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[C@@H]1[NH3+] ZINC000883592544 653846457 /nfs/dbraw/zinc/84/64/57/653846457.db2.gz LBVIHNVXSBARCV-ONGXEEELSA-N 1 0 397.273 2.371 20 0 GEADRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000895701699 653846751 /nfs/dbraw/zinc/84/67/51/653846751.db2.gz CGEDXTSEGMXFDT-QGZVFWFLSA-N 1 0 394.269 2.053 20 0 GEADRO Brc1cc(Cc2noc(C[C@H]3CC[NH2+]C3)n2)cc2c1OCCO2 ZINC000822946320 653846846 /nfs/dbraw/zinc/84/68/46/653846846.db2.gz CFQRFAYIQQNWMO-SNVBAGLBSA-N 1 0 380.242 2.346 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593786 653847085 /nfs/dbraw/zinc/84/70/85/653847085.db2.gz REZQVZZDDXAFTI-LLVKDONJSA-N 1 0 397.273 2.434 20 0 GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N[C@@H]1CC[NH2+]C12CCC2 ZINC000883593586 653847133 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CN(Cc1cscc1Br)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000883641631 653849205 /nfs/dbraw/zinc/84/92/05/653849205.db2.gz SWQXFLRJNIIBTP-UHFFFAOYSA-N 1 0 388.331 2.056 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)cc(Br)c1F ZINC000822998048 653849557 /nfs/dbraw/zinc/84/95/57/653849557.db2.gz CZIWBPUVKSJIJF-NSHDSACASA-N 1 0 377.229 2.304 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000895767684 653849745 /nfs/dbraw/zinc/84/97/45/653849745.db2.gz ALPIITGXNFWGJE-NHYWBVRUSA-N 1 0 385.277 2.404 20 0 GEADRO COc1ccc(Br)c(CNC(=O)C2C[NH+](C3CCOCC3)C2)c1 ZINC000895778825 653850000 /nfs/dbraw/zinc/85/00/00/653850000.db2.gz FQPLTGOCWSGXER-UHFFFAOYSA-N 1 0 383.286 2.185 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000895797159 653850715 /nfs/dbraw/zinc/85/07/15/653850715.db2.gz VFJQLVLKCNWFRE-LLVKDONJSA-N 1 0 388.253 2.023 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1nn2c(c1Br)CCC2 ZINC000895812245 653850962 /nfs/dbraw/zinc/85/09/62/653850962.db2.gz 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385.306 2.281 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884131998 653865234 /nfs/dbraw/zinc/86/52/34/653865234.db2.gz COGULEXSKWMCBK-HNNXBMFYSA-N 1 0 382.302 2.041 20 0 GEADRO O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000845843862 653865488 /nfs/dbraw/zinc/86/54/88/653865488.db2.gz ZYLZDHZQRBRYMZ-MNOVXSKESA-N 1 0 385.338 2.338 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1 ZINC000884162486 653866338 /nfs/dbraw/zinc/86/63/38/653866338.db2.gz GMGQOCKPQDELBZ-HZPDHXFCSA-N 1 0 394.313 2.356 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1 ZINC000884177047 653866601 /nfs/dbraw/zinc/86/66/01/653866601.db2.gz YXEQGVMZNVRIJJ-INIZCTEOSA-N 1 0 375.270 2.193 20 0 GEADRO Cc1cc(CN2CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)CC2)no1 ZINC000884180363 653866697 /nfs/dbraw/zinc/86/66/97/653866697.db2.gz WCTMFNJORWJHQA-INIZCTEOSA-N 1 0 393.285 2.090 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000884178975 653866745 /nfs/dbraw/zinc/86/67/45/653866745.db2.gz AZZDPYBWYLVEQT-ZDUSSCGKSA-N 1 0 382.302 2.470 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cc(Cl)c(C=O)cc2Cl)CC1 ZINC000867020058 653866910 /nfs/dbraw/zinc/86/69/10/653866910.db2.gz YKSYPILTGYFVGB-UHFFFAOYSA-N 1 0 395.308 2.152 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)C[C@@H]1[NH+](C)C ZINC000867025974 653867775 /nfs/dbraw/zinc/86/77/75/653867775.db2.gz RVPQVFCXWYCLPW-AAEUAGOBSA-N 1 0 375.903 2.147 20 0 GEADRO Cn1cc(C[C@H]2CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)C2)cn1 ZINC000884231946 653869013 /nfs/dbraw/zinc/86/90/13/653869013.db2.gz FEIFFHCJUBMIDM-WBMJQRKESA-N 1 0 377.286 2.274 20 0 GEADRO [NH3+][C@@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(Br)cc1 ZINC000884243737 653869036 /nfs/dbraw/zinc/86/90/36/653869036.db2.gz NWAJSFYZSKEPGA-CZUORRHYSA-N 1 0 375.270 2.299 20 0 GEADRO COC(=O)[C@H]1C[N@@H+](CCC(=O)N(C)OC)C[C@@H]1c1ccc(Br)cc1 ZINC000823492529 653870221 /nfs/dbraw/zinc/87/02/21/653870221.db2.gz PRIMBBPFHXMBNG-CABCVRRESA-N 1 0 399.285 2.047 20 0 GEADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1nn2c(c1Br)CCC2 ZINC000884284638 653870555 /nfs/dbraw/zinc/87/05/55/653870555.db2.gz PFQIWEOIYDBPHA-ZDUSSCGKSA-N 1 0 375.270 2.209 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)NCCSCc1ccnc(Cl)c1 ZINC000867046261 653870599 /nfs/dbraw/zinc/87/05/99/653870599.db2.gz NILJULGDJGAIMQ-UHFFFAOYSA-N 1 0 377.963 2.374 20 0 GEADRO COC[C@H](NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)c1cccc(Br)c1 ZINC000896250745 653870792 /nfs/dbraw/zinc/87/07/92/653870792.db2.gz SDIZLTFERFWAJK-KBMXLJTQSA-N 1 0 382.302 2.482 20 0 GEADRO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)nc1F ZINC000867052271 653871591 /nfs/dbraw/zinc/87/15/91/653871591.db2.gz JCSUZWBZTWZKEB-UHFFFAOYSA-N 1 0 384.864 2.464 20 0 GEADRO CCOC(=O)c1ncc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000896282681 653872415 /nfs/dbraw/zinc/87/24/15/653872415.db2.gz KXPVZKFGTKLXGR-UHFFFAOYSA-N 1 0 389.543 2.050 20 0 GEADRO COC(=O)c1c(F)ccc(S(=O)(=O)NCCC[N@H+](C)CC(C)C)c1F ZINC000845956274 653872426 /nfs/dbraw/zinc/87/24/26/653872426.db2.gz JEQPCJIKOKBWJW-UHFFFAOYSA-N 1 0 378.441 2.008 20 0 GEADRO CN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000884338642 653873066 /nfs/dbraw/zinc/87/30/66/653873066.db2.gz OCYNNYXIMCELTN-LBPRGKRZSA-N 1 0 398.692 2.493 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000884348036 653873767 /nfs/dbraw/zinc/87/37/67/653873767.db2.gz MJQAXHQGHGFYGP-GJZGRUSLSA-N 1 0 387.933 2.226 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCC2SCCS2)CC1 ZINC000823623887 653874693 /nfs/dbraw/zinc/87/46/93/653874693.db2.gz ZMMKSOHCYJQZNF-IYBDPMFKSA-N 1 0 386.631 2.383 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(c2ncccc2F)CC1)c1ccc(Br)cc1 ZINC000884378611 653874679 /nfs/dbraw/zinc/87/46/79/653874679.db2.gz XVPQJWKDMURTAE-OAHLLOKOSA-N 1 0 393.260 2.332 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C(=O)O1 ZINC000896336376 653874874 /nfs/dbraw/zinc/87/48/74/653874874.db2.gz YLNCFMWQTBGKIC-DOMZBBRYSA-N 1 0 398.301 2.226 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(Br)cc1 ZINC000884407021 653875685 /nfs/dbraw/zinc/87/56/85/653875685.db2.gz PCQUGTXENOAVFU-BZPMIXESSA-N 1 0 375.213 2.379 20 0 GEADRO CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884417131 653876202 /nfs/dbraw/zinc/87/62/02/653876202.db2.gz YMFPYAISJQVEHP-ZFWWWQNUSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884429915 653876543 /nfs/dbraw/zinc/87/65/43/653876543.db2.gz YESRKKYZPUEPKB-HNNXBMFYSA-N 1 0 378.897 2.226 20 0 GEADRO [NH3+]C1(CNC(=O)c2ccc(OC(F)F)c(Br)c2)CCOCC1 ZINC000884432621 653876576 /nfs/dbraw/zinc/87/65/76/653876576.db2.gz KFERQIPOPKEJNR-UHFFFAOYSA-N 1 0 379.201 2.288 20 0 GEADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000867086936 653876873 /nfs/dbraw/zinc/87/68/73/653876873.db2.gz UIUAURLDKLUBRV-UHFFFAOYSA-N 1 0 379.592 2.327 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884458559 653877388 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O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884522517 653879736 /nfs/dbraw/zinc/87/97/36/653879736.db2.gz AEVQAWNYRCTIBR-RBSFLKMASA-N 1 0 379.913 2.346 20 0 GEADRO C[NH+](C)CCN1CCN(Cc2nc3ccc(Br)cc3s2)CC1=O ZINC000846013052 653880461 /nfs/dbraw/zinc/88/04/61/653880461.db2.gz JIWNNQUMVTXGKW-UHFFFAOYSA-N 1 0 397.342 2.265 20 0 GEADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000823825055 653880885 /nfs/dbraw/zinc/88/08/85/653880885.db2.gz FXRONMFJWYWWSU-GFCCVEGCSA-N 1 0 397.324 2.012 20 0 GEADRO Brc1ccc(N2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[nH]n2)c1 ZINC000823831952 653881342 /nfs/dbraw/zinc/88/13/42/653881342.db2.gz HHFSSUNBFKDSIE-UHFFFAOYSA-N 1 0 386.257 2.351 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000793623936 653881477 /nfs/dbraw/zinc/88/14/77/653881477.db2.gz SSILCQPVNXZKIP-LBPRGKRZSA-N 1 0 391.509 2.489 20 0 GEADRO C[C@H](NC(=O)c1cc2c(ccc(F)c2Br)[nH]1)[C@@H]1C[N@H+](C)CCN1C ZINC000896537474 653883138 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2.292 20 0 GEADRO C[C@H](NC(=O)CCc1cc(F)ccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896547376 653884679 /nfs/dbraw/zinc/88/46/79/653884679.db2.gz DWMYJZYKYSOXKZ-BLLLJJGKSA-N 1 0 386.309 2.271 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(CN3C(=O)c4ccc(Br)cc4C3=O)C2)C1 ZINC000793765441 653884796 /nfs/dbraw/zinc/88/47/96/653884796.db2.gz JHCPPCSXOWGSNX-QGZVFWFLSA-N 1 0 378.270 2.030 20 0 GEADRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1nc[nH]c1Br ZINC000867130797 653884878 /nfs/dbraw/zinc/88/48/78/653884878.db2.gz OOQFJLHYJPZWBX-UHFFFAOYSA-N 1 0 393.351 2.447 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000884712633 653885617 /nfs/dbraw/zinc/88/56/17/653885617.db2.gz WTMVLTDLLBNOMF-UHFFFAOYSA-N 1 0 377.819 2.191 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC=C(Br)C1 ZINC000846077111 653885769 /nfs/dbraw/zinc/88/57/69/653885769.db2.gz ISXLLZATXXPKGE-CYBMUJFWSA-N 1 0 390.322 2.343 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000896570473 653885876 /nfs/dbraw/zinc/88/58/76/653885876.db2.gz YWNICOIJSXHIFS-SQWLQELKSA-N 1 0 398.345 2.275 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000884717491 653886001 /nfs/dbraw/zinc/88/60/01/653886001.db2.gz CKWGPWMRPNDABL-GXSJLCMTSA-N 1 0 377.794 2.232 20 0 GEADRO C[C@H](NC(=O)C1(c2cccc(Br)c2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896574108 653886559 /nfs/dbraw/zinc/88/65/59/653886559.db2.gz XHOFVTCPJGFJQC-XJKSGUPXSA-N 1 0 380.330 2.231 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000884727580 653886682 /nfs/dbraw/zinc/88/66/82/653886682.db2.gz WHWMMOWDECZGPK-MELADBBJSA-N 1 0 384.307 2.156 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC000793929298 653889117 /nfs/dbraw/zinc/88/91/17/653889117.db2.gz LPCQMGCGIWFBAL-KGLIPLIRSA-N 1 0 382.913 2.056 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCc2c(Cl)ccc(Br)c2C1 ZINC000884875035 653892147 /nfs/dbraw/zinc/89/21/47/653892147.db2.gz NMXGGOYGHXVMHO-HWPZZCPQSA-N 1 0 387.705 2.442 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)[C@H]1CC[NH3+] ZINC000846230356 653892079 /nfs/dbraw/zinc/89/20/79/653892079.db2.gz GPDKOEZPBGKRSW-DOMZBBRYSA-N 1 0 387.933 2.180 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)o2)C1 ZINC000846234184 653892429 /nfs/dbraw/zinc/89/24/29/653892429.db2.gz BJXLPXISEYDTJU-GRYCIOLGSA-N 1 0 393.303 2.092 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000846234814 653892771 /nfs/dbraw/zinc/89/27/71/653892771.db2.gz LTCZGYNRDRDJFP-LERXQTSPSA-N 1 0 394.324 2.438 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)cn2ncnc12 ZINC000824368589 653892989 /nfs/dbraw/zinc/89/29/89/653892989.db2.gz SJRKSGJLNUWEMY-ZIAGYGMSSA-N 1 0 378.274 2.239 20 0 GEADRO COC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCCC1 ZINC000824446384 653895110 /nfs/dbraw/zinc/89/51/10/653895110.db2.gz WDXYCZNWZOPXSW-ZDUSSCGKSA-N 1 0 375.922 2.253 20 0 GEADRO Cc1[nH+]ccc(N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c1Br ZINC000896842211 653896569 /nfs/dbraw/zinc/89/65/69/653896569.db2.gz PMLXMVDVHMAYAR-UHFFFAOYSA-N 1 0 390.289 2.124 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884952204 653897390 /nfs/dbraw/zinc/89/73/90/653897390.db2.gz LYVRFHWENITWQV-RYUDHWBXSA-N 1 0 389.315 2.363 20 0 GEADRO COC(=O)c1cnc(CC[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)s1 ZINC000896929491 653899744 /nfs/dbraw/zinc/89/97/44/653899744.db2.gz DVHVRLAWKHQEJZ-UHFFFAOYSA-N 1 0 380.491 2.067 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000824640019 653903912 /nfs/dbraw/zinc/90/39/12/653903912.db2.gz XIECIVKWVFECQV-LBPRGKRZSA-N 1 0 378.416 2.442 20 0 GEADRO Cc1cc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc(Cl)n1 ZINC000824651321 653904198 /nfs/dbraw/zinc/90/41/98/653904198.db2.gz XEFVLBXOLDAANX-UHFFFAOYSA-N 1 0 382.917 2.259 20 0 GEADRO Cc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)nc1Br ZINC000794361118 653905477 /nfs/dbraw/zinc/90/54/77/653905477.db2.gz SFKFAOAFOGZXMI-GFCCVEGCSA-N 1 0 384.322 2.158 20 0 GEADRO C[C@H](CNC(=O)c1cc(Br)n(C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000824738082 653906680 /nfs/dbraw/zinc/90/66/80/653906680.db2.gz HLGMJWFCBILIJF-GFCCVEGCSA-N 1 0 377.286 2.359 20 0 GEADRO CN1CCCC[C@@H]1C[NH2+][C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000846702763 653906969 /nfs/dbraw/zinc/90/69/69/653906969.db2.gz PUYJJPZRPKFUJM-HUUCEWRRSA-N 1 0 380.286 2.155 20 0 GEADRO O=C(NCc1cc2cccnc2cc1Br)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897082864 653907048 /nfs/dbraw/zinc/90/70/48/653907048.db2.gz SORWSZUOFWFXJZ-OAHLLOKOSA-N 1 0 390.281 2.334 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)C1 ZINC000846720328 653907376 /nfs/dbraw/zinc/90/73/76/653907376.db2.gz FOBUVBCFVJOCLJ-OLMNPRSZSA-N 1 0 375.916 2.436 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl)c1cccs1 ZINC000846720951 653907594 /nfs/dbraw/zinc/90/75/94/653907594.db2.gz CXIWYSVMCFTOHL-HFBAOOFYSA-N 1 0 375.897 2.288 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000846743487 653908663 /nfs/dbraw/zinc/90/86/63/653908663.db2.gz PQBPKBVAQYQAKJ-YPMHNXCESA-N 1 0 387.933 2.369 20 0 GEADRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000897177336 653909968 /nfs/dbraw/zinc/90/99/68/653909968.db2.gz NMRGOXCMLLHACT-HNNXBMFYSA-N 1 0 395.301 2.245 20 0 GEADRO CCN(C(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[C@@H]1CC[N@H+](C)C1 ZINC000824842566 653909992 /nfs/dbraw/zinc/90/99/92/653909992.db2.gz WCGKGDRLRLEUBG-DGCLKSJQSA-N 1 0 380.286 2.428 20 0 GEADRO O=C1Nc2ncc(Br)cc2C[C@H]1Nc1cc(N2CCCC2)ncn1 ZINC000897223858 653910975 /nfs/dbraw/zinc/91/09/75/653910975.db2.gz ABQKJZQHQCJRTB-GFCCVEGCSA-N 1 0 389.257 2.210 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ncnc2cc(Br)sc21 ZINC000897220247 653911218 /nfs/dbraw/zinc/91/12/18/653911218.db2.gz VDWPYAJFYFLUGG-NEPJUHHUSA-N 1 0 383.315 2.489 20 0 GEADRO CCOc1cc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc(Cl)c1OC ZINC000824897245 653911551 /nfs/dbraw/zinc/91/15/51/653911551.db2.gz RUNLNKVATCEDCO-UHFFFAOYSA-N 1 0 391.917 2.431 20 0 GEADRO Cc1ccc(CNC(=O)C(=O)N(C)CCCCCC[NH3+])cc1Br ZINC000885096805 653911866 /nfs/dbraw/zinc/91/18/66/653911866.db2.gz NKFVBVNERAGAIJ-UHFFFAOYSA-N 1 0 384.318 2.351 20 0 GEADRO Cc1cc(Br)cc(C[NH2+]CCS(=O)(=O)C2CCOCC2)c1 ZINC000824904053 653912345 /nfs/dbraw/zinc/91/23/45/653912345.db2.gz SXGINURJDILJSS-UHFFFAOYSA-N 1 0 376.316 2.441 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000885102106 653912418 /nfs/dbraw/zinc/91/24/18/653912418.db2.gz JRXINOLFBIEJBE-UHFFFAOYSA-N 1 0 396.329 2.040 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(Cl)cc1Cl ZINC000867308265 653912952 /nfs/dbraw/zinc/91/29/52/653912952.db2.gz HNSPYVJKSZSRLB-RNCFNFMXSA-N 1 0 395.308 2.493 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000846936236 653913768 /nfs/dbraw/zinc/91/37/68/653913768.db2.gz GTROVKBEJNWCRC-MRXNPFEDSA-N 1 0 389.309 2.447 20 0 GEADRO Cn1nc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1Br ZINC000825005941 653915026 /nfs/dbraw/zinc/91/50/26/653915026.db2.gz VNZHDOGKPXAOJG-UHFFFAOYSA-N 1 0 392.301 2.182 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc3ccc(Br)cc3c2)C1 ZINC000885176093 653915249 /nfs/dbraw/zinc/91/52/49/653915249.db2.gz NFDGOXUTHBNQFN-INIZCTEOSA-N 1 0 390.281 2.039 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc3ccc(Br)cc3c2)C1 ZINC000885176094 653915259 /nfs/dbraw/zinc/91/52/59/653915259.db2.gz NFDGOXUTHBNQFN-MRXNPFEDSA-N 1 0 390.281 2.039 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000897322042 653915969 /nfs/dbraw/zinc/91/59/69/653915969.db2.gz URYWXMQLWJNXSZ-JTQLQIEISA-N 1 0 390.269 2.125 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000885194748 653916123 /nfs/dbraw/zinc/91/61/23/653916123.db2.gz CZNASGVKBWFWCI-UHFFFAOYSA-N 1 0 388.331 2.245 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CCCC(C)(C)O1 ZINC000885196370 653916269 /nfs/dbraw/zinc/91/62/69/653916269.db2.gz BZCRUZNEBHRERR-KRWDZBQOSA-N 1 0 376.563 2.097 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885202883 653916508 /nfs/dbraw/zinc/91/65/08/653916508.db2.gz JAGHKEQWGGWMGQ-UHFFFAOYSA-N 1 0 390.709 2.305 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c(Br)c1 ZINC000897347794 653917296 /nfs/dbraw/zinc/91/72/96/653917296.db2.gz UDHQZQVUTYIITH-GFCCVEGCSA-N 1 0 379.258 2.011 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cscc2Cl)C[C@H]1c1ccccc1F ZINC000885235905 653918163 /nfs/dbraw/zinc/91/81/63/653918163.db2.gz XDAXEWSDYHSCPT-SWLSCSKDSA-N 1 0 381.860 2.110 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000897376136 653918281 /nfs/dbraw/zinc/91/82/81/653918281.db2.gz NUARWQHRMACPGL-SNVBAGLBSA-N 1 0 390.269 2.317 20 0 GEADRO CCn1nc(C)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)n1 ZINC000825133334 653918597 /nfs/dbraw/zinc/91/85/97/653918597.db2.gz FAKGVPHJGRLXKJ-ZDUSSCGKSA-N 1 0 385.281 2.449 20 0 GEADRO CCn1ncc(C(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)c1Br ZINC000825208498 653920966 /nfs/dbraw/zinc/92/09/66/653920966.db2.gz NNVVDHOVTLUNKE-HNNXBMFYSA-N 1 0 393.285 2.461 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000897459178 653922651 /nfs/dbraw/zinc/92/26/51/653922651.db2.gz JDXHIUCXQZVUJT-NHYWBVRUSA-N 1 0 388.281 2.263 20 0 GEADRO C[NH+]1CCC(OCC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000825244481 653922786 /nfs/dbraw/zinc/92/27/86/653922786.db2.gz VBBDPGJUTINELG-QGZVFWFLSA-N 1 0 397.313 2.460 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000825332499 653925517 /nfs/dbraw/zinc/92/55/17/653925517.db2.gz YYHPIYKLJRWMBW-LSDHHAIUSA-N 1 0 388.965 2.119 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000825343791 653925921 /nfs/dbraw/zinc/92/59/21/653925921.db2.gz QFTYAVOEGFYZRW-YWPYICTPSA-N 1 0 376.316 2.428 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000897541883 653926527 /nfs/dbraw/zinc/92/65/27/653926527.db2.gz ZZUHGWSYHILMBG-UHFFFAOYSA-N 1 0 396.276 2.475 20 0 GEADRO COC(=O)c1nc([C@H]2CCCN2C(=S)NC2CC[NH+](C)CC2)sc1C ZINC000795001803 653926839 /nfs/dbraw/zinc/92/68/39/653926839.db2.gz KNSNGAWUBLZMMH-CYBMUJFWSA-N 1 0 382.555 2.344 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1c(Br)nc2n1CCC2 ZINC000825379757 653927299 /nfs/dbraw/zinc/92/72/99/653927299.db2.gz SDDYYQLYXLCFFU-CQSZACIVSA-N 1 0 391.313 2.495 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897565252 653927458 /nfs/dbraw/zinc/92/74/58/653927458.db2.gz IUKNTOPQTHGKRT-QAPCUYQASA-N 1 0 381.314 2.202 20 0 GEADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cnc(F)c(Br)c1 ZINC000847510540 653931826 /nfs/dbraw/zinc/93/18/26/653931826.db2.gz XMBQRFORRZTUBA-LLVKDONJSA-N 1 0 386.265 2.214 20 0 GEADRO O=C(c1cccnc1I)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825558320 653933436 /nfs/dbraw/zinc/93/34/36/653933436.db2.gz GSLJBSKFEHNEIX-AAEUAGOBSA-N 1 0 385.249 2.290 20 0 GEADRO O=C(c1cccnc1I)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000825558322 653933655 /nfs/dbraw/zinc/93/36/55/653933655.db2.gz GSLJBSKFEHNEIX-WCQYABFASA-N 1 0 385.249 2.290 20 0 GEADRO O=C(c1nc(F)ccc1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000847580395 653935697 /nfs/dbraw/zinc/93/56/97/653935697.db2.gz SGWFQUMKPXNCMC-GFCCVEGCSA-N 1 0 386.265 2.310 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1nc(F)ccc1Br ZINC000847598200 653936551 /nfs/dbraw/zinc/93/65/51/653936551.db2.gz AGTZFIXBCUAKNQ-RAIGVLPGSA-N 1 0 386.265 2.307 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc(F)c(Br)c1 ZINC000847598226 653936576 /nfs/dbraw/zinc/93/65/76/653936576.db2.gz ATYWPGRSORQHQT-KWCYVHTRSA-N 1 0 386.265 2.307 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000847608672 653937250 /nfs/dbraw/zinc/93/72/50/653937250.db2.gz WIPDPSDSZDTBDJ-OCCSQVGLSA-N 1 0 395.301 2.224 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847607958 653937322 /nfs/dbraw/zinc/93/73/22/653937322.db2.gz PQNSLFALRBCFOS-TZMCWYRMSA-N 1 0 395.301 2.224 20 0 GEADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCSCCC(F)(F)F)cn1 ZINC000825719213 653938521 /nfs/dbraw/zinc/93/85/21/653938521.db2.gz RRDPUHFXLVBVJR-UONOGXRCSA-N 1 0 378.464 2.257 20 0 GEADRO COc1cc(C[NH2+][C@@]2(C)CCNC2=O)cc(Br)c1OC(F)F ZINC000897873103 653941055 /nfs/dbraw/zinc/94/10/55/653941055.db2.gz WTFZFHIIXQNGKE-AWEZNQCLSA-N 1 0 379.201 2.427 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000897881582 653941822 /nfs/dbraw/zinc/94/18/22/653941822.db2.gz XXARPILWMKDHCO-LBPRGKRZSA-N 1 0 379.448 2.062 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC(Cc2ccc(Br)cc2)C1 ZINC000885686938 653944610 /nfs/dbraw/zinc/94/46/10/653944610.db2.gz OXJFRAAJGCNOET-KRWDZBQOSA-N 1 0 379.298 2.171 20 0 GEADRO CC(=O)c1cn(C2CN(Cc3cnc4c(C)cc(Br)cn34)C2)nn1 ZINC000897938665 653945177 /nfs/dbraw/zinc/94/51/77/653945177.db2.gz LVOGMOUTHBYVNZ-UHFFFAOYSA-N 1 0 389.257 2.256 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000897946182 653945767 /nfs/dbraw/zinc/94/57/67/653945767.db2.gz NDLPPJYEXQINAQ-ZBFHGGJFSA-N 1 0 380.286 2.228 20 0 GEADRO C[N@@H+]1CC[C@@H](CCOC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000847826271 653946283 /nfs/dbraw/zinc/94/62/83/653946283.db2.gz FBAKMAABWITPNT-NSHDSACASA-N 1 0 390.299 2.351 20 0 GEADRO COC[C@H](CC1CCOCC1)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977997 653946907 /nfs/dbraw/zinc/94/69/07/653946907.db2.gz JWSHXYIDJYUYGF-GJZGRUSLSA-N 1 0 398.301 2.129 20 0 GEADRO O=C1Nc2ncc(Br)cc2C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000897979160 653948339 /nfs/dbraw/zinc/94/83/39/653948339.db2.gz XDMIBLYFJOTRCM-OAHLLOKOSA-N 1 0 379.302 2.171 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC[N@@H+]1CCC(C)(C)C1 ZINC000898035508 653950472 /nfs/dbraw/zinc/95/04/72/653950472.db2.gz SIIQKTDYNBXNEW-CQSZACIVSA-N 1 0 388.965 2.026 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCCc1nnnn1C ZINC000898038018 653950749 /nfs/dbraw/zinc/95/07/49/653950749.db2.gz CTEIDSNRMGGQRP-GFCCVEGCSA-N 1 0 399.280 2.358 20 0 GEADRO CCOc1cc(C[NH2+]CCCc2nnnn2C)cc(Br)c1OC ZINC000898042204 653950894 /nfs/dbraw/zinc/95/08/94/653950894.db2.gz LGXIBZQHMNYCRB-UHFFFAOYSA-N 1 0 384.278 2.102 20 0 GEADRO O=C1c2c(cccc2Br)CN1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000795430665 653952013 /nfs/dbraw/zinc/95/20/13/653952013.db2.gz FDCACQSVFUPNSF-AWEZNQCLSA-N 1 0 394.313 2.017 20 0 GEADRO O=C1c2c(cccc2Br)CN1CN1CC[NH+](C2CCOCC2)CC1 ZINC000795433169 653952439 /nfs/dbraw/zinc/95/24/39/653952439.db2.gz MVEHFLDTCKVEJW-UHFFFAOYSA-N 1 0 394.313 2.159 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c(Br)nc3n2CCC3)C1 ZINC000826568214 653953264 /nfs/dbraw/zinc/95/32/64/653953264.db2.gz KFHKJWTWHNWJMD-ZDUSSCGKSA-N 1 0 381.318 2.396 20 0 GEADRO C[C@H](COC(=O)c1c(I)cnn1C)[NH+]1CCCCC1 ZINC000847961658 653953407 /nfs/dbraw/zinc/95/34/07/653953407.db2.gz ADRATMACRXVIGI-SNVBAGLBSA-N 1 0 377.226 2.056 20 0 GEADRO C[C@@H]1CN(CN2Cc3cccc(Br)c3C2=O)CC[N@@H+]1CC(C)(C)O ZINC000795445026 653953489 /nfs/dbraw/zinc/95/34/89/653953489.db2.gz AHPVQKRMCAFTHK-CYBMUJFWSA-N 1 0 396.329 2.139 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000867580980 653955847 /nfs/dbraw/zinc/95/58/47/653955847.db2.gz GCPVQIJFYYCOOV-UHFFFAOYSA-N 1 0 390.933 2.328 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000867580859 653956011 /nfs/dbraw/zinc/95/60/11/653956011.db2.gz HDLZLXBLNDGKMZ-UHFFFAOYSA-N 1 0 390.933 2.328 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000826663047 653956493 /nfs/dbraw/zinc/95/64/93/653956493.db2.gz VYXIZSUBVDTZOV-ZYHUDNBSSA-N 1 0 398.139 2.110 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898197985 653958160 /nfs/dbraw/zinc/95/81/60/653958160.db2.gz MFTRAGRMYWAEOT-ABAIWWIYSA-N 1 0 385.302 2.213 20 0 GEADRO COc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cnc1Cl ZINC000885846994 653959606 /nfs/dbraw/zinc/95/96/06/653959606.db2.gz CDAFLZNXHQSILO-GFCCVEGCSA-N 1 0 382.873 2.038 20 0 GEADRO O=C(COc1ccc(Br)cc1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885855186 653960055 /nfs/dbraw/zinc/96/00/55/653960055.db2.gz KSOYCZQNOUSLLY-OAHLLOKOSA-N 1 0 383.286 2.197 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cnc1Cl ZINC000885866103 653960223 /nfs/dbraw/zinc/96/02/23/653960223.db2.gz RROVHIBMJCDTHN-LBPRGKRZSA-N 1 0 388.693 2.481 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)C1(c2cncc(Br)c2)CC1 ZINC000885882230 653961642 /nfs/dbraw/zinc/96/16/42/653961642.db2.gz GBRUUWLBSQVVBT-MRXNPFEDSA-N 1 0 394.313 2.245 20 0 GEADRO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1(Br)Br ZINC000826868853 653963508 /nfs/dbraw/zinc/96/35/08/653963508.db2.gz XRJXPZZAYIXIQF-CMPLNLGQSA-N 1 0 380.124 2.483 20 0 GEADRO C[NH+]1CCC2(CCN(S(=O)(=O)N=[S@](C)(=O)c3ccccc3)CC2)CC1 ZINC000867619439 653963543 /nfs/dbraw/zinc/96/35/43/653963543.db2.gz HGBGNUPIHNEATQ-XMMPIXPASA-N 1 0 385.555 2.196 20 0 GEADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000867630869 653965012 /nfs/dbraw/zinc/96/50/12/653965012.db2.gz LAQOZKKWOAZMBH-UHFFFAOYSA-N 1 0 394.310 2.478 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NCc1nc2ccccn2c1Br ZINC000826903358 653965636 /nfs/dbraw/zinc/96/56/36/653965636.db2.gz PMKAQXNTKDJCOA-AWEZNQCLSA-N 1 0 382.350 2.458 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)NCCC1SCCS1)[NH+]1CCC(C)CC1 ZINC000826947001 653967353 /nfs/dbraw/zinc/96/73/53/653967353.db2.gz MURCBZLMCCVVNP-HNNXBMFYSA-N 1 0 387.615 2.172 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000826950540 653967661 /nfs/dbraw/zinc/96/76/61/653967661.db2.gz RCYHCKKKSOHFQE-AAEUAGOBSA-N 1 0 378.270 2.182 20 0 GEADRO O=c1[nH]cc(S(=O)(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000867653135 653968925 /nfs/dbraw/zinc/96/89/25/653968925.db2.gz CHZVWMVBCRHDGI-UHFFFAOYSA-N 1 0 381.523 2.429 20 0 GEADRO O=C(NCc1ncc(Br)cn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000898401066 653969180 /nfs/dbraw/zinc/96/91/80/653969180.db2.gz KUCVKKVBHPZHAY-AWEZNQCLSA-N 1 0 382.306 2.399 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1Br ZINC000867654287 653969218 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GEADRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000886223698 653972994 /nfs/dbraw/zinc/97/29/94/653972994.db2.gz PGTZOJXKVBZXCE-OCCSQVGLSA-N 1 0 381.274 2.049 20 0 GEADRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cccc(F)c1I ZINC000886220991 653973101 /nfs/dbraw/zinc/97/31/01/653973101.db2.gz QSLVCYMPGWCFSG-VXGBXAGGSA-N 1 0 379.213 2.450 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1ncc(C(C)C)s1)CCS2(=O)=O ZINC000898488946 653973294 /nfs/dbraw/zinc/97/32/94/653973294.db2.gz MDTWHZQJHOAGGW-JZLYGMAVSA-N 1 0 386.539 2.255 20 0 GEADRO Cn1nc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1Br ZINC000827095294 653974347 /nfs/dbraw/zinc/97/43/47/653974347.db2.gz DGBHWJKCBDFIEQ-NSHDSACASA-N 1 0 379.258 2.152 20 0 GEADRO O[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2I)CC[C@@H]1O ZINC000886262659 653975372 /nfs/dbraw/zinc/97/53/72/653975372.db2.gz XFLZRGPYDGEREA-UBSAEIQESA-N 1 0 379.213 2.184 20 0 GEADRO Cc1cc([C@@H](C)[NH2+]CCc2nnc3c(=O)n(C)ccn23)sc1Br ZINC000886282792 653975420 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C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccnc2I)C12CCC2 ZINC000898835822 653987635 /nfs/dbraw/zinc/98/76/35/653987635.db2.gz PNKXKVVRZQMFHS-RYUDHWBXSA-N 1 0 385.249 2.289 20 0 GEADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccnc2I)C12CCC2 ZINC000898835824 653987755 /nfs/dbraw/zinc/98/77/55/653987755.db2.gz PNKXKVVRZQMFHS-VXGBXAGGSA-N 1 0 385.249 2.289 20 0 GEADRO CN(CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2)C(=O)c1ccc(Br)o1 ZINC000898844699 653987889 /nfs/dbraw/zinc/98/78/89/653987889.db2.gz KGJJLMZTLIXCFX-QWHCGFSZSA-N 1 0 398.301 2.103 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2cc(Cl)cc(Cl)c2F)CC1 ZINC000867800239 653988748 /nfs/dbraw/zinc/98/87/48/653988748.db2.gz AOWJJSKGLCSEFJ-UHFFFAOYSA-N 1 0 398.331 2.189 20 0 GEADRO Brc1cc(Cc2noc(CC[NH2+]C3CC3)n2)cc2c1OCCO2 ZINC000848625088 653989082 /nfs/dbraw/zinc/98/90/82/653989082.db2.gz HGHLSYMCIUEEQK-UHFFFAOYSA-N 1 0 380.242 2.489 20 0 GEADRO O=C(NCCCc1c(Cl)cccc1Cl)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000848613440 653989095 /nfs/dbraw/zinc/98/90/95/653989095.db2.gz 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Cc1nc(Br)sc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827435184 653991531 /nfs/dbraw/zinc/99/15/31/653991531.db2.gz CVLYWYHTOMVFIG-UHFFFAOYSA-N 1 0 387.347 2.066 20 0 GEADRO CN1CC[NH+](C2CCN(C(=O)Cc3sccc3Br)CC2)CC1 ZINC000827435638 653991633 /nfs/dbraw/zinc/99/16/33/653991633.db2.gz QLTACIIFGSTXFL-UHFFFAOYSA-N 1 0 386.359 2.292 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000867813393 653991756 /nfs/dbraw/zinc/99/17/56/653991756.db2.gz VPKUXJLXOGOZKQ-BXUZGUMPSA-N 1 0 389.315 2.172 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867814219 653991822 /nfs/dbraw/zinc/99/18/22/653991822.db2.gz LPICOZKWWADPBX-BLLLJJGKSA-N 1 0 375.897 2.182 20 0 GEADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]CCCn1cc(Br)cn1 ZINC000886610952 653992979 /nfs/dbraw/zinc/99/29/79/653992979.db2.gz OHKPRRXUXTYEOV-GFCCVEGCSA-N 1 0 382.262 2.144 20 0 GEADRO O=c1cc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)nc2ccc(Br)cn12 ZINC000886628693 653993414 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C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000848939782 654000274 /nfs/dbraw/zinc/00/02/74/654000274.db2.gz DBMRPTMLPXDDMP-IUODEOHRSA-N 1 0 385.917 2.076 20 0 GEADRO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000886791872 654000269 /nfs/dbraw/zinc/00/02/69/654000269.db2.gz BOAKDWQKUNLXSB-GXTWGEPZSA-N 1 0 398.219 2.436 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1c[nH]nc1I ZINC000899130484 654000822 /nfs/dbraw/zinc/00/08/22/654000822.db2.gz XHTPUCNGAZMKGB-NSHDSACASA-N 1 0 388.253 2.151 20 0 GEADRO COC[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1cccc(Br)c1 ZINC000899182350 654003017 /nfs/dbraw/zinc/00/30/17/654003017.db2.gz YDTZOVRMWWBXFU-KRWDZBQOSA-N 1 0 397.313 2.364 20 0 GEADRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000849077518 654003566 /nfs/dbraw/zinc/00/35/66/654003566.db2.gz CINWJNWDOJSSNU-LBPRGKRZSA-N 1 0 379.404 2.024 20 0 GEADRO CCS(=O)(=O)N(C)CCCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083082 654003883 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O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886899053 654008318 /nfs/dbraw/zinc/00/83/18/654008318.db2.gz ATIKWNREECZWKB-LLVKDONJSA-N 1 0 388.358 2.249 20 0 GEADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886899944 654008351 /nfs/dbraw/zinc/00/83/51/654008351.db2.gz ZFGVAWKDKWMNKX-LBPRGKRZSA-N 1 0 397.285 2.422 20 0 GEADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000886904391 654009017 /nfs/dbraw/zinc/00/90/17/654009017.db2.gz YDHPAPKOUONBSC-UNEWFSDZSA-N 1 0 388.302 2.220 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000886934414 654009502 /nfs/dbraw/zinc/00/95/02/654009502.db2.gz WGIPAKZBVVXHKX-SECBINFHSA-N 1 0 396.847 2.078 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(Br)c1 ZINC000867953263 654010101 /nfs/dbraw/zinc/01/01/01/654010101.db2.gz RJWJCZLAMRWELW-CVEARBPZSA-N 1 0 394.313 2.356 20 0 GEADRO CO[C@H](C)c1noc(CN(C)C(=O)[C@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867956338 654010567 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CC[NH+](CC)CC[C@@H](CO)NC(=O)c1nc(Br)sc1Cl ZINC000867976457 654012462 /nfs/dbraw/zinc/01/24/62/654012462.db2.gz JOVMPNLDSNCCFH-QMMMGPOBSA-N 1 0 384.727 2.382 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)c1cccc(Br)c1 ZINC000867978297 654012495 /nfs/dbraw/zinc/01/24/95/654012495.db2.gz JBUAPKOTIZVHNV-HZPDHXFCSA-N 1 0 382.302 2.260 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000849326738 654012993 /nfs/dbraw/zinc/01/29/93/654012993.db2.gz FLFDTVYKUYUNRD-AWEZNQCLSA-N 1 0 376.316 2.287 20 0 GEADRO [NH3+][C@H](C(=O)N1CCn2c(CC3CC3)nnc2C1)c1cccc(Br)c1 ZINC000867982922 654013086 /nfs/dbraw/zinc/01/30/86/654013086.db2.gz XRGSKKFVXMBJIW-INIZCTEOSA-N 1 0 390.285 2.035 20 0 GEADRO COC(=O)C(C)(C)n1ccc(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867985375 654013103 /nfs/dbraw/zinc/01/31/03/654013103.db2.gz BVVLHFKOWNZUFE-ZDUSSCGKSA-N 1 0 395.257 2.192 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(Br)c1 ZINC000867985181 654013150 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O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000868035950 654015537 /nfs/dbraw/zinc/01/55/37/654015537.db2.gz XKNLGUMZQQSNOI-OCCSQVGLSA-N 1 0 376.400 2.194 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)Nc1ccccc1SC(F)F ZINC000887032828 654015645 /nfs/dbraw/zinc/01/56/45/654015645.db2.gz UYPZLERLCMIGEP-SECBINFHSA-N 1 0 379.379 2.301 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887037000 654016237 /nfs/dbraw/zinc/01/62/37/654016237.db2.gz RUHCXSIADFOLNI-KRWDZBQOSA-N 1 0 380.286 2.380 20 0 GEADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887041624 654016251 /nfs/dbraw/zinc/01/62/51/654016251.db2.gz AKHIVGXTEGIJIZ-CQSZACIVSA-N 1 0 376.404 2.093 20 0 GEADRO [NH3+]Cc1cc(F)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 ZINC000868068071 654016751 /nfs/dbraw/zinc/01/67/51/654016751.db2.gz GSUFWNQRAJZROC-AWEZNQCLSA-N 1 0 383.470 2.138 20 0 GEADRO C[C@]1([NH3+])CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000868072384 654017146 /nfs/dbraw/zinc/01/71/46/654017146.db2.gz CDEAQILXORYTKF-SFHVURJKSA-N 1 0 394.313 2.251 20 0 GEADRO COC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000868167750 654021725 /nfs/dbraw/zinc/02/17/25/654021725.db2.gz IJQNKELIKDMDSJ-QWRGUYRKSA-N 1 0 384.196 2.325 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000868283852 654027529 /nfs/dbraw/zinc/02/75/29/654027529.db2.gz IVIDUTLRXYXMLF-QMTHXVAHSA-N 1 0 376.254 2.489 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000868288198 654027767 /nfs/dbraw/zinc/02/77/67/654027767.db2.gz AINZGXAHKUZAPZ-UHFFFAOYSA-N 1 0 388.212 2.148 20 0 GEADRO O=C(NCc1ccc(Br)cn1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000868285380 654027825 /nfs/dbraw/zinc/02/78/25/654027825.db2.gz HAWHEBIYBPZLQK-UHFFFAOYSA-N 1 0 397.317 2.288 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000868302093 654028780 /nfs/dbraw/zinc/02/87/80/654028780.db2.gz CXQSQAHFVGRDCG-OTSSQURYSA-N 1 0 394.191 2.260 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000868312300 654030035 /nfs/dbraw/zinc/03/00/35/654030035.db2.gz ORELXNFWDQWRRO-AWEZNQCLSA-N 1 0 378.420 2.324 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C1 ZINC000868312500 654030371 /nfs/dbraw/zinc/03/03/71/654030371.db2.gz BCUVRBBASOCQTL-CQSZACIVSA-N 1 0 378.420 2.324 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000868314698 654030432 /nfs/dbraw/zinc/03/04/32/654030432.db2.gz VVHUKVGRQXJKAG-KRWDZBQOSA-N 1 0 397.317 2.315 20 0 GEADRO CC1=C(Br)CN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000797422752 654030936 /nfs/dbraw/zinc/03/09/36/654030936.db2.gz XRDPTIWAVZBTFK-MRXNPFEDSA-N 1 0 387.366 2.343 20 0 GEADRO COCC[C@H]([NH3+])Cc1cn([C@H]2CCOc3ccc(Br)cc32)nn1 ZINC000899738920 654030982 /nfs/dbraw/zinc/03/09/82/654030982.db2.gz LVGVZLZXDZJDDV-WFASDCNBSA-N 1 0 381.274 2.319 20 0 GEADRO O=C(c1cc(F)c(Br)cc1F)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868344168 654031753 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C[NH+](C)C1(C(=O)N2CCC(O)(c3scnc3Br)CC2)CCC1 ZINC000797772783 654040988 /nfs/dbraw/zinc/04/09/88/654040988.db2.gz XYUQINMDRBEGFO-UHFFFAOYSA-N 1 0 388.331 2.200 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)c1ccnn1CC[NH+](C)C ZINC000899957464 654042561 /nfs/dbraw/zinc/04/25/61/654042561.db2.gz SUKDTMFTSNIABO-UHFFFAOYSA-N 1 0 395.301 2.358 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000849468151 654042935 /nfs/dbraw/zinc/04/29/35/654042935.db2.gz HFGMFTCMAOKENB-NSHDSACASA-N 1 0 376.935 2.448 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000828591534 654043463 /nfs/dbraw/zinc/04/34/63/654043463.db2.gz KTXXBPLYBBCDIR-RISCZKNCSA-N 1 0 378.416 2.392 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)c2csc(I)n2)CC[N@@H+]1C ZINC000828595729 654043705 /nfs/dbraw/zinc/04/37/05/654043705.db2.gz MNJURXCROSHUFN-IUCAKERBSA-N 1 0 379.267 2.302 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C1 ZINC000797832238 654043796 /nfs/dbraw/zinc/04/37/96/654043796.db2.gz RHLHTQLTKKJRGX-CQSZACIVSA-N 1 0 387.933 2.193 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnn(C(C)C)c3Br)[C@H]2C1 ZINC000868570481 654044143 /nfs/dbraw/zinc/04/41/43/654044143.db2.gz XTNATORVTPLIGV-UONOGXRCSA-N 1 0 385.306 2.162 20 0 GEADRO CC(=O)NC(C)(C)c1noc(C[C@@H]([NH3+])Cc2ccc(Br)cc2)n1 ZINC000899994237 654046134 /nfs/dbraw/zinc/04/61/34/654046134.db2.gz WFPZOODBZPNKER-ZDUSSCGKSA-N 1 0 381.274 2.316 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)Br)[C@H](c2cnn(C)c2)C1 ZINC000849590858 654046650 /nfs/dbraw/zinc/04/66/50/654046650.db2.gz ALXPFEAZEQGYPV-STQMWFEESA-N 1 0 393.276 2.338 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000798062347 654049630 /nfs/dbraw/zinc/04/96/30/654049630.db2.gz QCEFOCNEPFPTDM-VVLHAWIVSA-N 1 0 394.313 2.467 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)NCCC2N=NC(=S)N2C(C)C)cc(Cl)n1 ZINC000828777286 654050568 /nfs/dbraw/zinc/05/05/68/654050568.db2.gz HOZFTXLSSQBNLA-GFCCVEGCSA-N 1 0 382.921 2.253 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C1=COCCO1)c1ccc(Br)cn1 ZINC000798240540 654056410 /nfs/dbraw/zinc/05/64/10/654056410.db2.gz IZFFTOLIWMAOJU-UHFFFAOYSA-N 1 0 384.274 2.407 20 0 GEADRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000798251910 654057166 /nfs/dbraw/zinc/05/71/66/654057166.db2.gz GQGGDCYDDAMHNA-UHFFFAOYSA-N 1 0 376.400 2.338 20 0 GEADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000798265353 654057380 /nfs/dbraw/zinc/05/73/80/654057380.db2.gz GNLOSGPQMQTSFX-AWEZNQCLSA-N 1 0 387.933 2.147 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000900286666 654058002 /nfs/dbraw/zinc/05/80/02/654058002.db2.gz NWUBAOCXKWTEOG-UHFFFAOYSA-N 1 0 387.311 2.497 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)C[C@]2(C)C1 ZINC000887922900 654058656 /nfs/dbraw/zinc/05/86/56/654058656.db2.gz FUOCCHWTDUTINY-KBEGMRNHSA-N 1 0 394.313 2.332 20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccncc1Br ZINC000887933945 654059036 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CC(C)[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000829344965 654065014 /nfs/dbraw/zinc/06/50/14/654065014.db2.gz DZBPMAJBHLAVFQ-GOEBONIOSA-N 1 0 388.343 2.381 20 0 GEADRO C[C@@H](CNC(=O)Nc1ccnn1-c1ccc(Br)cn1)C[NH+](C)C ZINC000888062681 654065172 /nfs/dbraw/zinc/06/51/72/654065172.db2.gz WIBCASGZYYWTKG-NSHDSACASA-N 1 0 381.278 2.349 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000798492117 654066283 /nfs/dbraw/zinc/06/62/83/654066283.db2.gz AFIJBNRYAHWGGS-OWCLPIDISA-N 1 0 380.501 2.436 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000869011056 654066321 /nfs/dbraw/zinc/06/63/21/654066321.db2.gz MIJHUXLPLOONRW-UHFFFAOYSA-N 1 0 384.322 2.434 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000900483273 654066521 /nfs/dbraw/zinc/06/65/21/654066521.db2.gz JIXUJTXNSAQQFI-SJLPKXTDSA-N 1 0 397.313 2.196 20 0 GEADRO O=C(NCCSCCC(F)(F)F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000869064071 654068125 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GEADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000917052524 654112485 /nfs/dbraw/zinc/11/24/85/654112485.db2.gz TXYKPHKVSMDZCG-LSDHHAIUSA-N 1 0 380.432 2.143 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901202592 654114531 /nfs/dbraw/zinc/11/45/31/654114531.db2.gz FKHBISLCFUQQBV-PXAZEXFGSA-N 1 0 387.293 2.482 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CC(C)(C)CC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000901211068 654114825 /nfs/dbraw/zinc/11/48/25/654114825.db2.gz BWJZUHFLGRDDHH-AWEZNQCLSA-N 1 0 382.517 2.415 20 0 GEADRO CN1CCN(C(=O)Cc2ccc(Br)cc2Cl)CC[N@H+](C)CC1 ZINC000888977754 654117384 /nfs/dbraw/zinc/11/73/84/654117384.db2.gz MXMDXPCKDPPWFF-UHFFFAOYSA-N 1 0 388.737 2.351 20 0 GEADRO CN1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC[N@H+](C)CC1 ZINC000888980961 654117821 /nfs/dbraw/zinc/11/78/21/654117821.db2.gz VVDXDEWDIAJUHT-KRWDZBQOSA-N 1 0 380.330 2.185 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cn(-c2ccccc2Br)nn1 ZINC000917293419 654119008 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393.325 2.296 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869777647 654122541 /nfs/dbraw/zinc/12/25/41/654122541.db2.gz SHNXJUZVQMOLFE-JTQLQIEISA-N 1 0 379.498 2.270 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869777804 654122671 /nfs/dbraw/zinc/12/26/71/654122671.db2.gz VWTNOVVZLKHWHJ-LBPRGKRZSA-N 1 0 385.302 2.341 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC[N@@H+]1C ZINC000889163034 654127170 /nfs/dbraw/zinc/12/71/70/654127170.db2.gz DVQSDXXEKDLZFT-XFJVYGCCSA-N 1 0 395.297 2.472 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917652885 654129761 /nfs/dbraw/zinc/12/97/61/654129761.db2.gz ALEZUSQRXRMKMO-CHWSQXEVSA-N 1 0 375.897 2.372 20 0 GEADRO O=C(OCCC[NH+]1CCCC1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000800138616 654131835 /nfs/dbraw/zinc/13/18/35/654131835.db2.gz UQZFHVWBYBUYNL-OAHLLOKOSA-N 1 0 386.539 2.320 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000889218868 654133013 /nfs/dbraw/zinc/13/30/13/654133013.db2.gz YWWKVGYVHPJMID-MRXNPFEDSA-N 1 0 385.277 2.492 20 0 GEADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC2CCS(=O)(=O)CC2)s1 ZINC000800250711 654138989 /nfs/dbraw/zinc/13/89/89/654138989.db2.gz HSNNFUMKLYBYTJ-UHFFFAOYSA-N 1 0 375.516 2.405 20 0 GEADRO CS(C)(=O)=NS(=O)(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000901676031 654139672 /nfs/dbraw/zinc/13/96/72/654139672.db2.gz CIEDNQGPMNFPKX-UHFFFAOYSA-N 1 0 377.557 2.259 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000800312936 654140410 /nfs/dbraw/zinc/14/04/10/654140410.db2.gz XDGDIQAPIIFVLJ-CMDGGOBGSA-N 1 0 377.286 2.492 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000800472285 654146732 /nfs/dbraw/zinc/14/67/32/654146732.db2.gz JUFPDYGOTBFBNA-GHMZBOCLSA-N 1 0 389.240 2.249 20 0 GEADRO CCSCCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000800492543 654147095 /nfs/dbraw/zinc/14/70/95/654147095.db2.gz KVYIMMJOHVYZLA-CYBMUJFWSA-N 1 0 394.584 2.206 20 0 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GEADRO CCO[C@H](CNC(=O)[C@@H]1CCOc2ccc(Br)cc21)C[NH+](C)C ZINC000831707375 654201413 /nfs/dbraw/zinc/20/14/13/654201413.db2.gz DANDIFYDTNMEAI-ZIAGYGMSSA-N 1 0 385.302 2.398 20 0 GEADRO Cc1cccc(OC[C@H](O)CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)c1 ZINC000870873826 654201597 /nfs/dbraw/zinc/20/15/97/654201597.db2.gz STPZKTYQFCEOKZ-NVXWUHKLSA-N 1 0 393.281 2.313 20 0 GEADRO CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870878306 654202043 /nfs/dbraw/zinc/20/20/43/654202043.db2.gz HBIQEZTYXPSVOP-CJNGLKHVSA-N 1 0 396.329 2.460 20 0 GEADRO CCO[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)C[NH+](C)C ZINC000831713332 654202297 /nfs/dbraw/zinc/20/22/97/654202297.db2.gz KXMAHJOIKHJZIL-LBPRGKRZSA-N 1 0 397.269 2.252 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000851895772 654202791 /nfs/dbraw/zinc/20/27/91/654202791.db2.gz FIISDEHACVMZMY-OAHLLOKOSA-N 1 0 391.331 2.217 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@H](N2CCCCC2=O)C1)c1cccc(Br)c1 ZINC000870884640 654203055 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2.468 20 0 GEADRO CCO[C@@H](CNC(=O)c1ccc(F)cc1I)C[NH+](C)C ZINC000831767060 654207723 /nfs/dbraw/zinc/20/77/23/654207723.db2.gz ZYPONHYMQSWRBS-NSHDSACASA-N 1 0 394.228 2.127 20 0 GEADRO CCO[C@@H](CNC(=O)c1cc(OC)c(Br)c(OC)c1)C[NH+](C)C ZINC000831770826 654207843 /nfs/dbraw/zinc/20/78/43/654207843.db2.gz FLCYBJYHPAMFEM-LBPRGKRZSA-N 1 0 389.290 2.163 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)Cc1ccccc1Cl)C2 ZINC000920275003 654208202 /nfs/dbraw/zinc/20/82/02/654208202.db2.gz PXZOOUVFRFQJGZ-BRSBDYLESA-N 1 0 386.945 2.239 20 0 GEADRO [NH3+][C@H](C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000870928426 654208316 /nfs/dbraw/zinc/20/83/16/654208316.db2.gz GFHGBLAOICVXBQ-BBWFWOEESA-N 1 0 393.281 2.050 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2=O)ccc1Br ZINC000870927607 654208361 /nfs/dbraw/zinc/20/83/61/654208361.db2.gz XVTOZXVOZBHHII-XEZPLFJOSA-N 1 0 394.313 2.497 20 0 GEADRO CCO[C@H](CNC(=O)COc1ccc(Br)cc1F)C[NH+](C)C ZINC000831777053 654208460 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NC(=O)[C@@](O)(C[NH2+][C@@H]1CCOc2c(Br)cccc21)c1ccccc1 ZINC000852015468 654213128 /nfs/dbraw/zinc/21/31/28/654213128.db2.gz LKAHAYANHIOAKX-CRAIPNDOSA-N 1 0 391.265 2.235 20 0 GEADRO NC(=O)[C@](O)(C[NH2+][C@@H]1CCOc2c(Br)cccc21)c1ccccc1 ZINC000852015472 654213197 /nfs/dbraw/zinc/21/31/97/654213197.db2.gz LKAHAYANHIOAKX-QAPCUYQASA-N 1 0 391.265 2.235 20 0 GEADRO NC(=O)[C@](O)(C[NH2+][C@H](c1cncc(Br)c1)C1CC1)c1ccccc1 ZINC000852023691 654213965 /nfs/dbraw/zinc/21/39/65/654213965.db2.gz OGDOLGQKJFTHLH-WMZOPIPTSA-N 1 0 390.281 2.258 20 0 GEADRO NC(=O)[C@@](O)(C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)c1ccccc1 ZINC000852023689 654214134 /nfs/dbraw/zinc/21/41/34/654214134.db2.gz OGDOLGQKJFTHLH-SJLPKXTDSA-N 1 0 390.281 2.258 20 0 GEADRO CS(=O)(=O)C1(CNC(=O)c2csc(C3CC[NH2+]CC3)n2)CCCCC1 ZINC000870954172 654214314 /nfs/dbraw/zinc/21/43/14/654214314.db2.gz ZCZGRPXQFNZKDH-UHFFFAOYSA-N 1 0 385.555 2.087 20 0 GEADRO CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870957572 654214354 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382.237 2.408 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCn2ncc(Br)c2C1 ZINC000852405535 654238122 /nfs/dbraw/zinc/23/81/22/654238122.db2.gz ZGRBYISFIUNFPF-ZIAGYGMSSA-N 1 0 382.306 2.188 20 0 GEADRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000852430904 654238676 /nfs/dbraw/zinc/23/86/76/654238676.db2.gz NLJOGQWJMZUHSD-NWDGAFQWSA-N 1 0 375.252 2.260 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903426801 654238959 /nfs/dbraw/zinc/23/89/59/654238959.db2.gz OFDOBDPZJUPRSM-CYBMUJFWSA-N 1 0 378.325 2.052 20 0 GEADRO O=c1ccn(CCC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)c(=O)[nH]1 ZINC000903428316 654238999 /nfs/dbraw/zinc/23/89/99/654238999.db2.gz GKOUOYVTLSTXLS-GFCCVEGCSA-N 1 0 385.287 2.299 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1ccnc(Cl)c1)CCS2(=O)=O ZINC000903453383 654239852 /nfs/dbraw/zinc/23/98/52/654239852.db2.gz YFHLROYWIXWTQY-DHFKXCJNSA-N 1 0 386.901 2.285 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1sc(C)nc1C)CCS2(=O)=O 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VSPWPNBABZBUGQ-UHFFFAOYSA-N 1 0 375.922 2.333 20 0 GEADRO O=C(NCc1cnc(Br)cn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000921324665 654248750 /nfs/dbraw/zinc/24/87/50/654248750.db2.gz GTGIBSZUQDFJAO-UHFFFAOYSA-N 1 0 382.306 2.445 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCCC2(C[NH3+])CC2)c1F ZINC000903522369 654248783 /nfs/dbraw/zinc/24/87/83/654248783.db2.gz NKKZYDXDEDKXKU-UHFFFAOYSA-N 1 0 381.267 2.004 20 0 GEADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903522842 654248803 /nfs/dbraw/zinc/24/88/03/654248803.db2.gz VYECIRKOQDTBLV-SKDRFNHKSA-N 1 0 379.707 2.226 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1F ZINC000903525003 654249275 /nfs/dbraw/zinc/24/92/75/654249275.db2.gz JFQPFMONGQQJAZ-BDAKNGLRSA-N 1 0 381.267 2.016 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1F ZINC000903525613 654249515 /nfs/dbraw/zinc/24/95/15/654249515.db2.gz XPKGFYRVIDZIQE-YMTOWFKASA-N 1 0 393.278 2.099 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903525901 654249811 /nfs/dbraw/zinc/24/98/11/654249811.db2.gz UWDRVHISDRQSEK-OLZOCXBDSA-N 1 0 377.279 2.244 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1F ZINC000903526027 654249887 /nfs/dbraw/zinc/24/98/87/654249887.db2.gz ZUHFAUPASGDNJU-FZMZJTMJSA-N 1 0 393.278 2.160 20 0 GEADRO [NH3+][C@H]1CN(CC(=O)NCCOc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000903535873 654251061 /nfs/dbraw/zinc/25/10/61/654251061.db2.gz YHPOUGZLTSICLU-KGLIPLIRSA-N 1 0 379.810 2.047 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCCN2S(=O)(=O)c1cc(F)ccc1Br ZINC000903536756 654251177 /nfs/dbraw/zinc/25/11/77/654251177.db2.gz IGBAHRYWODLTDD-IINYFYTJSA-N 1 0 377.279 2.480 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])cc1Cl ZINC000903537401 654251448 /nfs/dbraw/zinc/25/14/48/654251448.db2.gz TXCKDVMCSRTGAR-MEDUHNTESA-N 1 0 389.880 2.330 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000903537857 654251505 /nfs/dbraw/zinc/25/15/05/654251505.db2.gz FNEDHLXRJVDYJE-UHFFFAOYSA-N 1 0 397.722 2.231 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c(C)c1Cl ZINC000903537690 654251508 /nfs/dbraw/zinc/25/15/08/654251508.db2.gz ZBSHPIBBCFEBEQ-ZUZCIYMTSA-N 1 0 392.930 2.389 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCCN2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000903542013 654252173 /nfs/dbraw/zinc/25/21/73/654252173.db2.gz RRDHIBWRANIOBL-NOZJJQNGSA-N 1 0 394.722 2.390 20 0 GEADRO Cc1nc(-c2ccc(S(=O)(=O)N(C)C3(C[NH3+])CCOCC3)s2)cs1 ZINC000903542522 654252247 /nfs/dbraw/zinc/25/22/47/654252247.db2.gz KGZLRYXGVCCFRC-UHFFFAOYSA-N 1 0 387.552 2.308 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)c(C(F)F)c1 ZINC000903543972 654252911 /nfs/dbraw/zinc/25/29/11/654252911.db2.gz FHKVWQBZBPNQBN-NSHDSACASA-N 1 0 378.416 2.200 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000903543495 654253000 /nfs/dbraw/zinc/25/30/00/654253000.db2.gz DRECUUVRZSRHMY-UHFFFAOYSA-N 1 0 386.823 2.487 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000903547296 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CCc1ncc(S(=O)(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903573491 654258691 /nfs/dbraw/zinc/25/86/91/654258691.db2.gz JFBBEJNWRPYBBQ-CXAGYDPISA-N 1 0 379.507 2.240 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@H]3CSCCS3)C2)[C@H]1C(C)C ZINC000921390886 654260289 /nfs/dbraw/zinc/26/02/89/654260289.db2.gz XDTKRUUUPVNGJZ-JMIFQINSSA-N 1 0 387.615 2.004 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC[C@H]1C(F)(F)F ZINC000903578072 654260713 /nfs/dbraw/zinc/26/07/13/654260713.db2.gz BHMOISJALXTXBW-RNFRBKRXSA-N 1 0 378.203 2.289 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC[C@@H]1C(F)(F)F ZINC000903578618 654260820 /nfs/dbraw/zinc/26/08/20/654260820.db2.gz IOODSIBDMSHTQD-XPUUQOCRSA-N 1 0 378.203 2.289 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871804414 654260772 /nfs/dbraw/zinc/26/07/72/654260772.db2.gz IIYGXVNWZNJORG-CYBMUJFWSA-N 1 0 385.917 2.377 20 0 GEADRO O=C(NCCc1ccc(Br)cc1F)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852803251 654261159 /nfs/dbraw/zinc/26/11/59/654261159.db2.gz DTPXCAIAOOUYRR-LLVKDONJSA-N 1 0 381.249 2.361 20 0 GEADRO COC(=O)C[C@H](NC(=O)C=C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000852814479 654261394 /nfs/dbraw/zinc/26/13/94/654261394.db2.gz UCPFLVOVGDSJPG-HNNXBMFYSA-N 1 0 381.270 2.479 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c2ccccc2n1C ZINC000903580837 654261774 /nfs/dbraw/zinc/26/17/74/654261774.db2.gz YEMLIZHYCNXSFN-QWHCGFSZSA-N 1 0 375.416 2.387 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000871806274 654261703 /nfs/dbraw/zinc/26/17/03/654261703.db2.gz AAQGNTGGIGSPPT-LBPRGKRZSA-N 1 0 385.917 2.364 20 0 GEADRO CC(C)(C)n1ncc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000852832148 654262232 /nfs/dbraw/zinc/26/22/32/654262232.db2.gz GGYYTOCVOYHHPB-GFCCVEGCSA-N 1 0 399.333 2.228 20 0 GEADRO CC[NH2+]CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000832378515 654262737 /nfs/dbraw/zinc/26/27/37/654262737.db2.gz SXNYQPFCQUZQHI-UHFFFAOYSA-N 1 0 387.933 2.244 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000871811488 654262839 /nfs/dbraw/zinc/26/28/39/654262839.db2.gz PDMLQGBDCUTNNG-KCJUWKMLSA-N 1 0 376.322 2.463 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH3+])CCCC2)c1 ZINC000852851297 654263139 /nfs/dbraw/zinc/26/31/39/654263139.db2.gz BRGSYQPCJMKJGU-UHFFFAOYSA-N 1 0 387.933 2.418 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)CCC2Cc3ccccc3C2)C[C@H]1C(F)(F)F ZINC000871812620 654263329 /nfs/dbraw/zinc/26/33/29/654263329.db2.gz IJQPSIOUKYMNKD-JKSUJKDBSA-N 1 0 376.444 2.190 20 0 GEADRO N[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000852858171 654263643 /nfs/dbraw/zinc/26/36/43/654263643.db2.gz SGJBPQYOTDRADW-WMLDXEAASA-N 1 0 396.329 2.209 20 0 GEADRO CC[N@H+]1C[C@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)[C@@H](C)C1 ZINC000921406548 654263756 /nfs/dbraw/zinc/26/37/56/654263756.db2.gz KPDFWQPTKLKABV-FPMFFAJLSA-N 1 0 382.306 2.426 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000903585249 654263688 /nfs/dbraw/zinc/26/36/88/654263688.db2.gz NLXNZNJOSDBMIU-PXAZEXFGSA-N 1 0 383.901 2.117 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000921407010 654263841 /nfs/dbraw/zinc/26/38/41/654263841.db2.gz SHERIANVDRQBFX-DGCLKSJQSA-N 1 0 382.306 2.258 20 0 GEADRO CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C[C@@H]1[NH3+] ZINC000903587101 654264128 /nfs/dbraw/zinc/26/41/28/654264128.db2.gz PFWFMAKRBIQSSL-WBMJQRKESA-N 1 0 388.917 2.113 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903589232 654264483 /nfs/dbraw/zinc/26/44/83/654264483.db2.gz NPAOTTQHNOPQDD-IAQYHMDHSA-N 1 0 389.315 2.268 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903589951 654264682 /nfs/dbraw/zinc/26/46/82/654264682.db2.gz RNEQGIQODUUAIY-OTYXRUKQSA-N 1 0 393.278 2.099 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871816080 654264776 /nfs/dbraw/zinc/26/47/76/654264776.db2.gz AFEAUCOOQIXAMB-IAGOWNOFSA-N 1 0 388.917 2.318 20 0 GEADRO O=S(=O)(N[C@H]1CCCCC12CC[NH2+]CC2)c1cnn(CC(F)(F)F)c1 ZINC000871818045 654265107 /nfs/dbraw/zinc/26/51/07/654265107.db2.gz KZHKSELMDQEDII-ZDUSSCGKSA-N 1 0 380.436 2.036 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 ZINC000903591674 654265238 /nfs/dbraw/zinc/26/52/38/654265238.db2.gz QVOHVIFPZWITSL-UHFFFAOYSA-N 1 0 382.404 2.111 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)ccc1Br ZINC000871820326 654265755 /nfs/dbraw/zinc/26/57/55/654265755.db2.gz NKNXDRRIOWPKDJ-CABCVRRESA-N 1 0 387.299 2.215 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)ccc1Br ZINC000871820328 654265816 /nfs/dbraw/zinc/26/58/16/654265816.db2.gz NKNXDRRIOWPKDJ-GJZGRUSLSA-N 1 0 387.299 2.215 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000921426791 654266342 /nfs/dbraw/zinc/26/63/42/654266342.db2.gz MEEYTOJULIEVKM-AWEZNQCLSA-N 1 0 398.349 2.412 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000921436701 654266906 /nfs/dbraw/zinc/26/69/06/654266906.db2.gz ZYTKDJHECSCZHC-FZMZJTMJSA-N 1 0 394.317 2.400 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)ccc1Br ZINC000903611015 654267101 /nfs/dbraw/zinc/26/71/01/654267101.db2.gz KKNCIGKOPJJLEL-NHYWBVRUSA-N 1 0 387.299 2.072 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N[C@]34CCC[C@H]3C[NH2+]C4)cc2N1 ZINC000903610197 654267215 /nfs/dbraw/zinc/26/72/15/654267215.db2.gz ZWUZJGBIRRRAKQ-SJCJKPOMSA-N 1 0 383.901 2.035 20 0 GEADRO C[C@]12CCN(C(=O)C[NH2+]CC3CC3)C[C@H]1C2(Br)Br ZINC000852901991 654267120 /nfs/dbraw/zinc/26/71/20/654267120.db2.gz YSJVMQRQYITDFY-PWSUYJOCSA-N 1 0 380.124 2.341 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1 ZINC000871920462 654278048 /nfs/dbraw/zinc/27/80/48/654278048.db2.gz GSXYIZNGMHTDKA-GJZGRUSLSA-N 1 0 383.286 2.151 20 0 GEADRO O=C(NCCC[NH2+]C[C@H](O)c1ccccn1)c1ccc(Br)cc1 ZINC000853099821 654279212 /nfs/dbraw/zinc/27/92/12/654279212.db2.gz ZSYPYFOXDGOIFP-INIZCTEOSA-N 1 0 378.270 2.287 20 0 GEADRO CN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903714050 654280574 /nfs/dbraw/zinc/28/05/74/654280574.db2.gz LHSHEAZNALYHCI-STQMWFEESA-N 1 0 377.794 2.037 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719450 654280845 /nfs/dbraw/zinc/28/08/45/654280845.db2.gz ZVNJZVCPLXYFST-MAUKXSAKSA-N 1 0 396.329 2.396 20 0 GEADRO CC(C)[C@H](CNc1ccc2c(c1)S(=O)(=O)N=C2Cl)N1CC[NH+](C)CC1 ZINC000853133039 654281065 /nfs/dbraw/zinc/28/10/65/654281065.db2.gz GECYCATYLGOTKV-HNNXBMFYSA-N 1 0 384.933 2.058 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000891308034 654281221 /nfs/dbraw/zinc/28/12/21/654281221.db2.gz HMJGKYNWWZXOMI-UHFFFAOYSA-N 1 0 380.286 2.474 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000891308525 654281226 /nfs/dbraw/zinc/28/12/26/654281226.db2.gz PVTXXAMJVIRHMS-UHFFFAOYSA-N 1 0 380.286 2.474 20 0 GEADRO CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000903756532 654282297 /nfs/dbraw/zinc/28/22/97/654282297.db2.gz SSJGFWAGSHOWDD-GOEBONIOSA-N 1 0 384.929 2.259 20 0 GEADRO [NH3+]C[C@H]1CN(CCS(=O)(=O)c2nc3ccccc3s2)C[C@H]1C(F)(F)F ZINC000903780466 654283417 /nfs/dbraw/zinc/28/34/17/654283417.db2.gz HCIIUPYXHWCGES-WDEREUQCSA-N 1 0 393.456 2.139 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000903836231 654285156 /nfs/dbraw/zinc/28/51/56/654285156.db2.gz HMUJYNRPGDNJAR-SNVBAGLBSA-N 1 0 387.303 2.371 20 0 GEADRO C[NH+](C)CCCCC(=O)N[C@@H](CO)c1ccccc1I ZINC000891323386 654285736 /nfs/dbraw/zinc/28/57/36/654285736.db2.gz BMPYSUBZFNRMJD-AWEZNQCLSA-N 1 0 390.265 2.173 20 0 GEADRO O=C(NCCOc1cccc(Br)c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891402431 654291008 /nfs/dbraw/zinc/29/10/08/654291008.db2.gz XCNZODHQPTYHOZ-LLVKDONJSA-N 1 0 392.244 2.372 20 0 GEADRO [NH3+][C@H](CC(F)F)CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000903904159 654291110 /nfs/dbraw/zinc/29/11/10/654291110.db2.gz PZCDDSSHNRNNAS-ZYHUDNBSSA-N 1 0 391.260 2.477 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)Nc1nc(Cl)nc2c(Br)c[nH]c21 ZINC000853293857 654291215 /nfs/dbraw/zinc/29/12/15/654291215.db2.gz VDKAGIFSVZUDRQ-SECBINFHSA-N 1 0 387.713 2.422 20 0 GEADRO O=C(CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1ccc(Br)cc1 ZINC000891404226 654291329 /nfs/dbraw/zinc/29/13/29/654291329.db2.gz IGLJGRXFIIZMTG-GJZGRUSLSA-N 1 0 395.301 2.314 20 0 GEADRO O=C(CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)Nc1ccc(Br)cc1 ZINC000891404228 654291364 /nfs/dbraw/zinc/29/13/64/654291364.db2.gz IGLJGRXFIIZMTG-HUUCEWRRSA-N 1 0 395.301 2.314 20 0 GEADRO O=C1NCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Br)cc1 ZINC000903910570 654291627 /nfs/dbraw/zinc/29/16/27/654291627.db2.gz NZEBFSSFKXVHRZ-WPENSMPRSA-N 1 0 378.314 2.453 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Br)s1)C[C@@H]([NH3+])CC(F)F ZINC000903916520 654292056 /nfs/dbraw/zinc/29/20/56/654292056.db2.gz HFNLGEFMPMYNES-JTQLQIEISA-N 1 0 384.290 2.431 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000853330223 654292688 /nfs/dbraw/zinc/29/26/88/654292688.db2.gz WLURKUKDZJVANE-SECBINFHSA-N 1 0 379.766 2.374 20 0 GEADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000903969958 654293329 /nfs/dbraw/zinc/29/33/29/654293329.db2.gz NQIBUWSGLILGHR-SECBINFHSA-N 1 0 387.752 2.030 20 0 GEADRO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903970595 654293588 /nfs/dbraw/zinc/29/35/88/654293588.db2.gz ZVDSEGJSPZSGOE-CZUORRHYSA-N 1 0 378.460 2.393 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)C1 ZINC000853398476 654294359 /nfs/dbraw/zinc/29/43/59/654294359.db2.gz FCUUFKZRJKUFMT-AWEZNQCLSA-N 1 0 385.917 2.311 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853446773 654295475 /nfs/dbraw/zinc/29/54/75/654295475.db2.gz NQOZKZWLIQYAFQ-HZPDHXFCSA-N 1 0 394.313 2.289 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ncc(Br)cn1)c1ccccc1 ZINC000891476053 654295948 /nfs/dbraw/zinc/29/59/48/654295948.db2.gz MCZUNDBETBQBFT-CQSZACIVSA-N 1 0 378.274 2.341 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCc1ccc(I)s1 ZINC000891491601 654297711 /nfs/dbraw/zinc/29/77/11/654297711.db2.gz NYTBOIYAJYQLOK-RKDXNWHRSA-N 1 0 379.267 2.026 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853500343 654299477 /nfs/dbraw/zinc/29/94/77/654299477.db2.gz ZAQKRANDRLSTKV-CYBMUJFWSA-N 1 0 384.318 2.392 20 0 GEADRO [NH3+]C1CC(Cc2nc(-c3ccc4ncc(I)n4c3)no2)C1 ZINC000904113531 654302516 /nfs/dbraw/zinc/30/25/16/654302516.db2.gz YZGQXGROGPQRLY-UHFFFAOYSA-N 1 0 395.204 2.269 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)C1 ZINC000891595175 654302476 /nfs/dbraw/zinc/30/24/76/654302476.db2.gz XZRAYBOWMXETST-JKSUJKDBSA-N 1 0 387.933 2.166 20 0 GEADRO COC(=O)c1c2cnn(CN(C)CC3C[NH+](C)C3)c2ccc1Br ZINC000853554168 654303579 /nfs/dbraw/zinc/30/35/79/654303579.db2.gz YBGRNQSSMKDUSK-UHFFFAOYSA-N 1 0 381.274 2.036 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCc2cnc(Br)cn2)[C@@H]1c1ccccc1 ZINC000921679373 654303706 /nfs/dbraw/zinc/30/37/06/654303706.db2.gz WFFJXGHGZHPHGD-HOCLYGCPSA-N 1 0 390.285 2.484 20 0 GEADRO CC(C)([NH3+])CCNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000891697224 654307168 /nfs/dbraw/zinc/30/71/68/654307168.db2.gz ZUDQBDGTWPBGJN-UHFFFAOYSA-N 1 0 399.333 2.212 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000904335947 654307652 /nfs/dbraw/zinc/30/76/52/654307652.db2.gz KJOJQXSYAJRGAT-CYBMUJFWSA-N 1 0 394.273 2.087 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904393035 654308707 /nfs/dbraw/zinc/30/87/07/654308707.db2.gz GUYGIAIVFJYOMS-HNNXBMFYSA-N 1 0 386.945 2.463 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCc3cc(F)c(Br)cc3C2)C1 ZINC000904433920 654310353 /nfs/dbraw/zinc/31/03/53/654310353.db2.gz QTPUJWWJFCWQOE-LBPRGKRZSA-N 1 0 384.293 2.144 20 0 GEADRO CC(C)(C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)NS(C)(=O)=O ZINC000921722038 654311603 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CS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000891842073 654314415 /nfs/dbraw/zinc/31/44/15/654314415.db2.gz ZVULXDDIVGMVDC-AWEZNQCLSA-N 1 0 385.555 2.263 20 0 GEADRO [NH3+]CCCSCCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000904653780 654314886 /nfs/dbraw/zinc/31/48/86/654314886.db2.gz KBQUSSMELMELEM-UHFFFAOYSA-N 1 0 375.903 2.321 20 0 GEADRO [NH3+]CCN1CCC[C@H](c2nc(Cc3ccc(F)c(Br)c3)no2)C1=O ZINC000904665109 654315434 /nfs/dbraw/zinc/31/54/34/654315434.db2.gz IWMSDUDZWLBMCI-LLVKDONJSA-N 1 0 397.248 2.227 20 0 GEADRO C[C@@H]1CN(c2nc(Cl)nc3c(Br)c[nH]c32)[C@@H](C)C[N@@H+]1CCO ZINC000853694904 654315606 /nfs/dbraw/zinc/31/56/06/654315606.db2.gz ZWZGPXZDNMYKAX-BDAKNGLRSA-N 1 0 388.697 2.265 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cn1 ZINC000891869141 654316182 /nfs/dbraw/zinc/31/61/82/654316182.db2.gz VNEDENSKYIGOHW-TZMCWYRMSA-N 1 0 397.317 2.363 20 0 GEADRO C[C@]1(c2nc(-c3csc(I)c3)no2)C[NH2+]CCO1 ZINC000872179524 654316190 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CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000872223348 654318014 /nfs/dbraw/zinc/31/80/14/654318014.db2.gz HDYUJDFMMRBJPM-OAHLLOKOSA-N 1 0 375.531 2.072 20 0 GEADRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872234835 654318337 /nfs/dbraw/zinc/31/83/37/654318337.db2.gz ZIAOGVNAJHYXDY-HNNXBMFYSA-N 1 0 395.253 2.160 20 0 GEADRO [NH3+][C@H]1CCCCCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000891923277 654318574 /nfs/dbraw/zinc/31/85/74/654318574.db2.gz YORJLAZLFBTQRO-HNNXBMFYSA-N 1 0 387.933 2.417 20 0 GEADRO O=C1OCC[C@@H]1CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000872244362 654319362 /nfs/dbraw/zinc/31/93/62/654319362.db2.gz JBUVFNDXJDRDQG-SMDDNHRTSA-N 1 0 390.249 2.261 20 0 GEADRO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NCc1nc(Br)c[nH]1 ZINC000921764589 654319353 /nfs/dbraw/zinc/31/93/53/654319353.db2.gz LZCRCLVWWCZPMX-CABCVRRESA-N 1 0 379.302 2.145 20 0 GEADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000872246737 654319522 /nfs/dbraw/zinc/31/95/22/654319522.db2.gz FNSUADBPKIDCRA-QAPCUYQASA-N 1 0 383.897 2.143 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC1CC[NH2+]CC1 ZINC000891959108 654320562 /nfs/dbraw/zinc/32/05/62/654320562.db2.gz TVCSBEODBRULQR-CQSZACIVSA-N 1 0 376.284 2.127 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000804777764 654321201 /nfs/dbraw/zinc/32/12/01/654321201.db2.gz FIDCFQVVCYZITG-ZDUSSCGKSA-N 1 0 393.289 2.029 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000891969435 654321462 /nfs/dbraw/zinc/32/14/62/654321462.db2.gz YDEZCUSXIDMMHU-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO C[C@](CO)(NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000891984082 654321985 /nfs/dbraw/zinc/32/19/85/654321985.db2.gz PTHKJGCRNXFNLS-FZKQIMNGSA-N 1 0 396.329 2.440 20 0 GEADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)NCC1SCCS1 ZINC000853824089 654323378 /nfs/dbraw/zinc/32/33/78/654323378.db2.gz UVSLJRAXEKEPJB-UHFFFAOYSA-N 1 0 381.567 2.249 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)C(F)(F)F)n1 ZINC000904927612 654324622 /nfs/dbraw/zinc/32/46/22/654324622.db2.gz HAQIYAUBVMWSSN-ADGXKJENSA-N 1 0 379.448 2.423 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)C(F)(F)F)n1 ZINC000904940814 654324871 /nfs/dbraw/zinc/32/48/71/654324871.db2.gz TUCANEDFTACWAL-YWPYICTPSA-N 1 0 377.432 2.192 20 0 GEADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)N[C@@H]1CCC[NH2+]C1 ZINC000892018782 654325372 /nfs/dbraw/zinc/32/53/72/654325372.db2.gz NCGWECVGQUQHJJ-CYBMUJFWSA-N 1 0 378.274 2.186 20 0 GEADRO O=C(NCCOC(F)(F)C(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000834445577 654325973 /nfs/dbraw/zinc/32/59/73/654325973.db2.gz MDXXRAMBDIUIAM-LLVKDONJSA-N 1 0 376.391 2.492 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CCC1)C[C@@]1(O)CCOC1 ZINC000905063185 654328653 /nfs/dbraw/zinc/32/86/53/654328653.db2.gz UZIKXRQAMMAGLQ-AEFFLSMTSA-N 1 0 384.314 2.363 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000892126443 654330068 /nfs/dbraw/zinc/33/00/68/654330068.db2.gz FHBSISNDYMMMNL-CQSZACIVSA-N 1 0 380.290 2.462 20 0 GEADRO C[C@](O)(C[NH2+]CCOc1ccc(S(C)(=O)=O)cc1)C(F)(F)C(F)(F)F ZINC000905094476 654330909 /nfs/dbraw/zinc/33/09/09/654330909.db2.gz FVPXZANJVRWHSR-LBPRGKRZSA-N 1 0 391.358 2.007 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N[C@H]1C[NH2+]CCC1(F)F ZINC000892156586 654331623 /nfs/dbraw/zinc/33/16/23/654331623.db2.gz LEEYDNLYNMALAC-VZZFWQQMSA-N 1 0 386.240 2.384 20 0 GEADRO O=C(N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892157510 654331646 /nfs/dbraw/zinc/33/16/46/654331646.db2.gz UCWJEWMVOFEPBP-REWJHTLYSA-N 1 0 386.240 2.384 20 0 GEADRO CC1CC[NH+](C[C@@H]2CCCN(c3nc(Cl)ccc3S(N)(=O)=O)C2)CC1 ZINC000892158656 654332035 /nfs/dbraw/zinc/33/20/35/654332035.db2.gz DQLLKHNEOZBXBO-AWEZNQCLSA-N 1 0 386.949 2.331 20 0 GEADRO C[C@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)Sc1ccc(Br)cc1 ZINC000905107458 654332207 /nfs/dbraw/zinc/33/22/07/654332207.db2.gz ZFCCDWCXAVUZHX-DOMZBBRYSA-N 1 0 390.343 2.422 20 0 GEADRO O[C@H](C[NH2+]CCCc1ccc(Br)cc1F)C[C@]1(O)CCOC1 ZINC000905119776 654333188 /nfs/dbraw/zinc/33/31/88/654333188.db2.gz NIUNDXAMJYHYDL-GOEBONIOSA-N 1 0 376.266 2.013 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C1=O ZINC000905147615 654334547 /nfs/dbraw/zinc/33/45/47/654334547.db2.gz LEONDYVZVXJXCK-WHCBVINPSA-N 1 0 386.279 2.337 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872437387 654334844 /nfs/dbraw/zinc/33/48/44/654334844.db2.gz IJPMMHZQAVHKNW-GGOJBBCOSA-N 1 0 381.608 2.475 20 0 GEADRO C[C@](O)(C[NH2+]Cc1ccccc1CS(C)(=O)=O)C(F)(F)C(F)(F)F ZINC000905155130 654335027 /nfs/dbraw/zinc/33/50/27/654335027.db2.gz ORTOTRHXOVMJGS-LBPRGKRZSA-N 1 0 375.359 2.269 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(F)(F)c2ccccc2Br)C1 ZINC000834565093 654335276 /nfs/dbraw/zinc/33/52/76/654335276.db2.gz QUQZGGVDJLKWGF-HNNXBMFYSA-N 1 0 391.256 2.456 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000834565225 654335726 /nfs/dbraw/zinc/33/57/26/654335726.db2.gz RWBVCTCIJJDYPB-OAHLLOKOSA-N 1 0 379.498 2.224 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1cccnc1Br ZINC000853995792 654335972 /nfs/dbraw/zinc/33/59/72/654335972.db2.gz QORHMMDNGJFLDJ-ZDUSSCGKSA-N 1 0 395.301 2.021 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(F)(F)c2ccc(Br)cc2)C1 ZINC000834569588 654336315 /nfs/dbraw/zinc/33/63/15/654336315.db2.gz RRBJGHGBWGGVAC-HNNXBMFYSA-N 1 0 391.256 2.456 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905187712 654336843 /nfs/dbraw/zinc/33/68/43/654336843.db2.gz MZXFZHJRCMQNGO-ABAIWWIYSA-N 1 0 376.266 2.011 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1COc2cccc(Br)c2C1 ZINC000892268446 654337849 /nfs/dbraw/zinc/33/78/49/654337849.db2.gz WARAKTBYTNUQNT-XHDPSFHLSA-N 1 0 380.286 2.194 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)[N@H+](C)C1CC1 ZINC000872446105 654338179 /nfs/dbraw/zinc/33/81/79/654338179.db2.gz VINSUIZVMRHOER-LLVKDONJSA-N 1 0 385.917 2.376 20 0 GEADRO C[NH+](C)C1CCN(C(=O)Cc2noc(CC[C@H]3CC3(Cl)Cl)n2)CC1 ZINC000854053152 654338877 /nfs/dbraw/zinc/33/88/77/654338877.db2.gz JPNHGNVVMGJQHQ-NSHDSACASA-N 1 0 375.300 2.291 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000854067696 654339347 /nfs/dbraw/zinc/33/93/47/654339347.db2.gz CHXPADOVHSTXPS-ZDUSSCGKSA-N 1 0 384.318 2.391 20 0 GEADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872450075 654339508 /nfs/dbraw/zinc/33/95/08/654339508.db2.gz VCYFBIQBENHRFU-GFCCVEGCSA-N 1 0 385.917 2.187 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[N@@H+]1C ZINC000872455715 654341203 /nfs/dbraw/zinc/34/12/03/654341203.db2.gz ZJWDLNALVJFUKL-YPMHNXCESA-N 1 0 385.917 2.376 20 0 GEADRO Cn1ccnc1-c1noc(-c2sc3c(c2I)C[NH2+]C3)n1 ZINC000854141524 654341649 /nfs/dbraw/zinc/34/16/49/654341649.db2.gz DNNMYYNRIXSPQE-UHFFFAOYSA-N 1 0 399.217 2.406 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C[C@]1(O)CCOC1 ZINC000905230896 654341930 /nfs/dbraw/zinc/34/19/30/654341930.db2.gz OLVQXUXOZWIAJX-JKIFEVAISA-N 1 0 375.296 2.064 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2(CO)CCCC2)cc1Cl ZINC000905231003 654341979 /nfs/dbraw/zinc/34/19/79/654341979.db2.gz IIQMTAZGYDPPQG-AWEZNQCLSA-N 1 0 375.918 2.137 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000834702904 654344369 /nfs/dbraw/zinc/34/43/69/654344369.db2.gz BWOHSSNAQKMPMB-GFCCVEGCSA-N 1 0 378.274 2.231 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@]2(C)CC2(Cl)Cl)CCC1 ZINC000905271949 654346859 /nfs/dbraw/zinc/34/68/59/654346859.db2.gz FULPLBLQKJHODG-YPMHNXCESA-N 1 0 387.373 2.161 20 0 GEADRO O=C(NCc1ccccc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892458202 654346980 /nfs/dbraw/zinc/34/69/80/654346980.db2.gz VUHVTCIHESCKLP-JKSUJKDBSA-N 1 0 382.302 2.190 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNc1ncnc2c1c(Br)nn2C(C)(C)C ZINC000892467165 654347307 /nfs/dbraw/zinc/34/73/07/654347307.db2.gz GWFOEPYTARMPSH-LLVKDONJSA-N 1 0 396.337 2.002 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N2C3CCC2(C[NH3+])CC3)c(Br)c1 ZINC000892468689 654347519 /nfs/dbraw/zinc/34/75/19/654347519.db2.gz PZNFZAJCTMFLCQ-UHFFFAOYSA-N 1 0 396.285 2.401 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)c2csc(I)n2)CC1 ZINC000854297826 654348185 /nfs/dbraw/zinc/34/81/85/654348185.db2.gz RTRAKXBVMOBQQZ-UHFFFAOYSA-N 1 0 379.267 2.162 20 0 GEADRO O=C(NCc1sccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892499909 654348732 /nfs/dbraw/zinc/34/87/32/654348732.db2.gz ADNFUZABZQKLBE-OLZOCXBDSA-N 1 0 388.331 2.251 20 0 GEADRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000892511831 654349288 /nfs/dbraw/zinc/34/92/88/654349288.db2.gz KDXDGQNRGPATJU-MPGHIAIKSA-N 1 0 386.945 2.126 20 0 GEADRO COCC(=O)Nc1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892513017 654349347 /nfs/dbraw/zinc/34/93/47/654349347.db2.gz YBAHKNQNNHKETH-UHFFFAOYSA-N 1 0 380.242 2.424 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)CCC[NH3+])ccc1Cl ZINC000834813048 654350050 /nfs/dbraw/zinc/35/00/50/654350050.db2.gz CHHYURGGONKGOM-GFCCVEGCSA-N 1 0 375.922 2.228 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000834817533 654350458 /nfs/dbraw/zinc/35/04/58/654350458.db2.gz USIQTUDPGOXBPU-JHJVBQTASA-N 1 0 387.933 2.226 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCCOCc1ccc(Cl)cc1Cl ZINC000905343719 654351827 /nfs/dbraw/zinc/35/18/27/654351827.db2.gz RPHWMBUYSPBWNS-UHFFFAOYSA-N 1 0 381.325 2.429 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCc1csc(CCc2ccccc2)n1 ZINC000905342090 654351874 /nfs/dbraw/zinc/35/18/74/654351874.db2.gz FKOCLAHWHXFABN-UHFFFAOYSA-N 1 0 379.551 2.347 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000892566127 654351897 /nfs/dbraw/zinc/35/18/97/654351897.db2.gz XFTARMDZVOAPQV-BJHJDKERSA-N 1 0 385.295 2.198 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000905339504 654351893 /nfs/dbraw/zinc/35/18/93/654351893.db2.gz OULFDEPOROMLEA-UHFFFAOYSA-N 1 0 381.933 2.014 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000905339820 654351917 /nfs/dbraw/zinc/35/19/17/654351917.db2.gz IZAOWEYXSOBUAU-MRXNPFEDSA-N 1 0 376.881 2.182 20 0 GEADRO Cc1nc([C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)c2ccc(Cl)cc2)no1 ZINC000905344391 654352232 /nfs/dbraw/zinc/35/22/32/654352232.db2.gz ZANOYLSXVFFEKR-HNNXBMFYSA-N 1 0 384.889 2.040 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cccn2c(I)cnc12 ZINC000834849738 654353342 /nfs/dbraw/zinc/35/33/42/654353342.db2.gz ZDFGQIOUCRAKLN-NSHDSACASA-N 1 0 398.248 2.201 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000905360500 654353456 /nfs/dbraw/zinc/35/34/56/654353456.db2.gz UXGKIWYFPMFWMH-VNQPRFMTSA-N 1 0 385.327 2.006 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)CCC1(O)CCC1)Cc1ccc(Br)cc1 ZINC000905366655 654353810 /nfs/dbraw/zinc/35/38/10/654353810.db2.gz PPJBRALXYJZCLA-WBVHZDCISA-N 1 0 386.330 2.246 20 0 GEADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000905386201 654354915 /nfs/dbraw/zinc/35/49/15/654354915.db2.gz ONEIVYCWGHRKLE-WJEHIRDRSA-N 1 0 382.328 2.395 20 0 GEADRO O=C(CCSc1nc2ccccc2s1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854355317 654355431 /nfs/dbraw/zinc/35/54/31/654355431.db2.gz YYIHXCAAWAZWDM-CQSZACIVSA-N 1 0 376.551 2.285 20 0 GEADRO C[C@]1(Br)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000892674047 654357200 /nfs/dbraw/zinc/35/72/00/654357200.db2.gz KWMFIWSYOGWXCJ-XNJGSVPQSA-N 1 0 383.286 2.074 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1csc(I)n1 ZINC000854428956 654360384 /nfs/dbraw/zinc/36/03/84/654360384.db2.gz ZSWFFCVRWLFOIL-VHSXEESVSA-N 1 0 391.278 2.447 20 0 GEADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000835067331 654360615 /nfs/dbraw/zinc/36/06/15/654360615.db2.gz OTWZJTCWUJAYTG-JTQLQIEISA-N 1 0 379.288 2.452 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000835090357 654361009 /nfs/dbraw/zinc/36/10/09/654361009.db2.gz BXAHVCLCCGZHNX-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cnc2n1CCOC2)Cc1ccccc1Br ZINC000922059089 654361828 /nfs/dbraw/zinc/36/18/28/654361828.db2.gz MZIGYWKYHKEOQI-CYBMUJFWSA-N 1 0 380.286 2.117 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CCC1 ZINC000905510360 654361896 /nfs/dbraw/zinc/36/18/96/654361896.db2.gz VLPRHZGFDOPUPJ-WTXIUTQJSA-N 1 0 390.615 2.252 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1csc(I)n1 ZINC000854455251 654362013 /nfs/dbraw/zinc/36/20/13/654362013.db2.gz FQHWASQJBJIDMN-MWLCHTKSSA-N 1 0 391.278 2.447 20 0 GEADRO C[C@]1(NC(=O)c2cn(-c3ccccc3Br)nn2)C[NH+]2CCC1CC2 ZINC000892789508 654364178 /nfs/dbraw/zinc/36/41/78/654364178.db2.gz RCJKRQLDNBQNHO-KRWDZBQOSA-N 1 0 390.285 2.244 20 0 GEADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)c(=O)[nH]c1=O ZINC000905530572 654364536 /nfs/dbraw/zinc/36/45/36/654364536.db2.gz RSMGVVBMQSAKPO-CQSZACIVSA-N 1 0 396.285 2.290 20 0 GEADRO NC(=O)c1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nc(Cl)n1 ZINC000872526633 654364515 /nfs/dbraw/zinc/36/45/15/654364515.db2.gz BQACZIBVIRUTHF-UHFFFAOYSA-N 1 0 377.798 2.446 20 0 GEADRO CC(C)O[C@@]1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCOC1 ZINC000905557455 654366218 /nfs/dbraw/zinc/36/62/18/654366218.db2.gz OHHHJYZJFZFVLB-NVXWUHKLSA-N 1 0 388.302 2.363 20 0 GEADRO Cc1cc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)nn1C ZINC000905560109 654366309 /nfs/dbraw/zinc/36/63/09/654366309.db2.gz INWWRYZADDNREJ-OAHLLOKOSA-N 1 0 386.265 2.202 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000835181941 654369151 /nfs/dbraw/zinc/36/91/51/654369151.db2.gz HAHOCKPQURMQDM-CYBMUJFWSA-N 1 0 397.317 2.424 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000835190460 654370207 /nfs/dbraw/zinc/37/02/07/654370207.db2.gz YJRANMDAKDUQBX-STQMWFEESA-N 1 0 395.301 2.034 20 0 GEADRO CCC1([NH3+])CCN(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)CC1 ZINC000892926854 654370762 /nfs/dbraw/zinc/37/07/62/654370762.db2.gz ZBBLPIKAEUZOJF-AWEZNQCLSA-N 1 0 385.917 2.424 20 0 GEADRO C[C@@]1(Br)C[C@H]1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000892948148 654371552 /nfs/dbraw/zinc/37/15/52/654371552.db2.gz WFPBLSXMPBLAJE-WDEREUQCSA-N 1 0 393.269 2.311 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CCC1 ZINC000905657769 654372246 /nfs/dbraw/zinc/37/22/46/654372246.db2.gz XKVLTEZEHSBESC-JALIKCBVSA-N 1 0 376.588 2.004 20 0 GEADRO O[C@H](C[NH2+]Cc1cnn(CCF)c1)COc1cc(F)cc(Br)c1 ZINC000905657739 654372416 /nfs/dbraw/zinc/37/24/16/654372416.db2.gz XBZFQHNMTVEOBL-CQSZACIVSA-N 1 0 390.228 2.284 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cc4c(cccc4Br)[nH]3)C2)CC1 ZINC000854642601 654372709 /nfs/dbraw/zinc/37/27/09/654372709.db2.gz NEVVMJAFLZXGBB-UHFFFAOYSA-N 1 0 391.313 2.250 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000922162531 654372796 /nfs/dbraw/zinc/37/27/96/654372796.db2.gz OHRKTIBJLGKHOI-JKSUJKDBSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000892964966 654373091 /nfs/dbraw/zinc/37/30/91/654373091.db2.gz DEFPTGWXAFXDOZ-BFHYXJOUSA-N 1 0 387.343 2.441 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000892964969 654373256 /nfs/dbraw/zinc/37/32/56/654373256.db2.gz DEFPTGWXAFXDOZ-MJBXVCDLSA-N 1 0 387.343 2.441 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000854651253 654373496 /nfs/dbraw/zinc/37/34/96/654373496.db2.gz CJDVCASSDGXWOL-MLGOLLRUSA-N 1 0 385.917 2.045 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000854655789 654373533 /nfs/dbraw/zinc/37/35/33/654373533.db2.gz UKXRVYWZTNORIH-CMPLNLGQSA-N 1 0 398.248 2.104 20 0 GEADRO O=c1ccn(C[N@@H+]2CC[C@H](C3OCCO3)C2)c2c(Br)cccc12 ZINC000905694521 654374805 /nfs/dbraw/zinc/37/48/05/654374805.db2.gz AXVCQJHDSNZIQI-LBPRGKRZSA-N 1 0 379.254 2.416 20 0 GEADRO CNC(=O)[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)Cc1ccc(OC)c(F)c1 ZINC000922207982 654375865 /nfs/dbraw/zinc/37/58/65/654375865.db2.gz NIFKQUKFCCVAMN-LLVKDONJSA-N 1 0 399.264 2.014 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H](C)CN1CCOCC1 ZINC000893029631 654376785 /nfs/dbraw/zinc/37/67/85/654376785.db2.gz NWFLWDZFSNRZPA-ZDUSSCGKSA-N 1 0 384.318 2.465 20 0 GEADRO O=C(NCC[NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(Br)cn1 ZINC000922238687 654378135 /nfs/dbraw/zinc/37/81/35/654378135.db2.gz WXWCTEUKTYTAMR-UHFFFAOYSA-N 1 0 392.301 2.360 20 0 GEADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1csc(I)n1)C2 ZINC000854734889 654379932 /nfs/dbraw/zinc/37/99/32/654379932.db2.gz FOCRYAQSOMNRQB-ZDUSSCGKSA-N 1 0 391.278 2.306 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000835348216 654382402 /nfs/dbraw/zinc/38/24/02/654382402.db2.gz LDYROHJAYKLUTH-STQMWFEESA-N 1 0 395.301 2.176 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)C1 ZINC000893106686 654382565 /nfs/dbraw/zinc/38/25/65/654382565.db2.gz PRSHGLCFZYXDMD-QWHCGFSZSA-N 1 0 385.555 2.315 20 0 GEADRO CNS(=O)(=O)CCC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922307487 654382715 /nfs/dbraw/zinc/38/27/15/654382715.db2.gz QQOAUEDIKXGWDH-UHFFFAOYSA-N 1 0 378.267 2.098 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000835370628 654384718 /nfs/dbraw/zinc/38/47/18/654384718.db2.gz WPCMFKSSIXNBQW-LLVKDONJSA-N 1 0 395.301 2.034 20 0 GEADRO C[C@@]1(Br)C[C@H]1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000893155765 654386650 /nfs/dbraw/zinc/38/66/50/654386650.db2.gz MFKSBPQSLAXTEK-WCBMZHEXSA-N 1 0 379.242 2.064 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCS(=O)(=O)CC1CC1 ZINC000893167402 654386946 /nfs/dbraw/zinc/38/69/46/654386946.db2.gz JEGUYIMNXIQYJS-UHFFFAOYSA-N 1 0 389.315 2.322 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1csc(I)n1 ZINC000854893039 654387849 /nfs/dbraw/zinc/38/78/49/654387849.db2.gz HYYYKSAWMLTQSI-UHFFFAOYSA-N 1 0 379.267 2.352 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1Br ZINC000872666560 654387874 /nfs/dbraw/zinc/38/78/74/654387874.db2.gz VTZKOAZDCRPRCY-ZIAGYGMSSA-N 1 0 389.315 2.315 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1csc(I)n1 ZINC000854893379 654387960 /nfs/dbraw/zinc/38/79/60/654387960.db2.gz KPJSZFUBTKHSDY-UHFFFAOYSA-N 1 0 379.267 2.352 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2csc(I)n2)C1 ZINC000854911936 654389146 /nfs/dbraw/zinc/38/91/46/654389146.db2.gz AWUDLYMLPCDFBM-SECBINFHSA-N 1 0 379.267 2.209 20 0 GEADRO O[C@H](C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1)C[C@@]1(O)CCOC1 ZINC000905919611 654391153 /nfs/dbraw/zinc/39/11/53/654391153.db2.gz PFMGJUSNEUUTAW-BZSNNMDCSA-N 1 0 384.314 2.358 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C[C@H]1C(F)(F)F ZINC000893247948 654393633 /nfs/dbraw/zinc/39/36/33/654393633.db2.gz KPGZMKOUFNUWOL-BFHYXJOUSA-N 1 0 385.448 2.311 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922454928 654394603 /nfs/dbraw/zinc/39/46/03/654394603.db2.gz KWHSIOGZDKEXQF-XVKPBYJWSA-N 1 0 389.159 2.224 20 0 GEADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000922492792 654397330 /nfs/dbraw/zinc/39/73/30/654397330.db2.gz FFYRWWJVZXUMQP-UHFFFAOYSA-N 1 0 381.932 2.097 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000855166821 654398923 /nfs/dbraw/zinc/39/89/23/654398923.db2.gz QJBWGCPNXAVTPD-LBPRGKRZSA-N 1 0 387.933 2.193 20 0 GEADRO CCOc1c(Cl)cc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)cc1OC ZINC000922615771 654403619 /nfs/dbraw/zinc/40/36/19/654403619.db2.gz PHFXGWVTCHOUIG-INIZCTEOSA-N 1 0 377.890 2.041 20 0 GEADRO CCN1CC[C@H]([NH2+]C2CC(S(C)(=O)=O)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000893497553 654404232 /nfs/dbraw/zinc/40/42/32/654404232.db2.gz GGLNMBOPAXMXQR-LHPNLFKDSA-N 1 0 376.444 2.404 20 0 GEADRO O=C(NCc1ncc(Cl)s1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000872966075 654407537 /nfs/dbraw/zinc/40/75/37/654407537.db2.gz KINGCBAGKRZUSR-CQSZACIVSA-N 1 0 380.901 2.363 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)n1 ZINC000922709518 654408737 /nfs/dbraw/zinc/40/87/37/654408737.db2.gz BMKPIPGTXBBKBQ-CQSZACIVSA-N 1 0 395.305 2.070 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)nc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893588859 654409336 /nfs/dbraw/zinc/40/93/36/654409336.db2.gz DSIXQAMYKIHSCH-AWEZNQCLSA-N 1 0 380.901 2.316 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000855289038 654410563 /nfs/dbraw/zinc/41/05/63/654410563.db2.gz NEEIANLUEMHOKR-LBPRGKRZSA-N 1 0 393.289 2.027 20 0 GEADRO C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC(C)(C)CS(C)(=O)=O)CC1 ZINC000922739797 654410914 /nfs/dbraw/zinc/41/09/14/654410914.db2.gz VKBYGHFHIAXJGM-UHFFFAOYSA-N 1 0 387.977 2.252 20 0 GEADRO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000906058862 654411086 /nfs/dbraw/zinc/41/10/86/654411086.db2.gz XYZJWTOBEDQHJV-HSZRJFAPSA-N 1 0 391.584 2.052 20 0 GEADRO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000906058563 654411067 /nfs/dbraw/zinc/41/10/67/654411067.db2.gz XPGKNDJEBIZSTN-JOCHJYFZSA-N 1 0 383.923 2.055 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]CC[C@H]1CNC(=O)C1 ZINC000922781088 654413100 /nfs/dbraw/zinc/41/31/00/654413100.db2.gz MJFZIWVSKXCBJE-MRVPVSSYSA-N 1 0 391.107 2.410 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(F)c1I)[C@@H]1CN(C)CCO1 ZINC000873081889 654413421 /nfs/dbraw/zinc/41/34/21/654413421.db2.gz VEPABUHSVPQMTE-MFKMUULPSA-N 1 0 378.229 2.239 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000922803096 654414461 /nfs/dbraw/zinc/41/44/61/654414461.db2.gz VFYBJGIXPVZMOU-UHFFFAOYSA-N 1 0 384.299 2.328 20 0 GEADRO CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000922822941 654415262 /nfs/dbraw/zinc/41/52/62/654415262.db2.gz KUZYOGVZAJZULF-CYBMUJFWSA-N 1 0 396.372 2.445 20 0 GEADRO OC[C@H]([NH2+]Cc1cccc(F)c1I)C1CCOCC1 ZINC000873101959 654415373 /nfs/dbraw/zinc/41/53/73/654415373.db2.gz IQTNTEDRWDTLHC-ZDUSSCGKSA-N 1 0 379.213 2.307 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)cc1F ZINC000873107649 654416014 /nfs/dbraw/zinc/41/60/14/654416014.db2.gz PERYZXSNGMTLHA-RKDXNWHRSA-N 1 0 381.757 2.322 20 0 GEADRO O=C(c1c(F)cncc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922848503 654416502 /nfs/dbraw/zinc/41/65/02/654416502.db2.gz VADXKPYYMORAHW-UHFFFAOYSA-N 1 0 386.265 2.356 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccnc(Br)c1 ZINC000855402634 654416717 /nfs/dbraw/zinc/41/67/17/654416717.db2.gz GXKYCLDJYFLSCB-INIZCTEOSA-N 1 0 390.281 2.341 20 0 GEADRO OC[C@H](C[NH2+]Cc1cccc(F)c1I)[C@@H]1CCOC1 ZINC000873118988 654416791 /nfs/dbraw/zinc/41/67/91/654416791.db2.gz AITKQYKKYPXOOJ-NEPJUHHUSA-N 1 0 379.213 2.165 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1scnc1Br ZINC000855403463 654417018 /nfs/dbraw/zinc/41/70/18/654417018.db2.gz NOWNFSZZNWJOOQ-CYBMUJFWSA-N 1 0 396.310 2.402 20 0 GEADRO C[C@@H](CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[NH+](C)C ZINC000855413816 654418051 /nfs/dbraw/zinc/41/80/51/654418051.db2.gz RBYRTSXDZAGTIF-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000855414448 654418122 /nfs/dbraw/zinc/41/81/22/654418122.db2.gz ZFFASWAGZHKLEI-CYBMUJFWSA-N 1 0 389.949 2.439 20 0 GEADRO C[C@H](CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[NH+](C)C ZINC000855413338 654418178 /nfs/dbraw/zinc/41/81/78/654418178.db2.gz KCOSFSOGSCQVPO-CYBMUJFWSA-N 1 0 387.933 2.195 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000922896352 654418844 /nfs/dbraw/zinc/41/88/44/654418844.db2.gz MRYHPRISUOQNQC-RISCZKNCSA-N 1 0 375.254 2.320 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)cc1C(F)(F)F ZINC000906143346 654418843 /nfs/dbraw/zinc/41/88/43/654418843.db2.gz WIGAAPNJPUGBNA-CQSZACIVSA-N 1 0 382.379 2.232 20 0 GEADRO C[C@@H](CNC(=O)c1cn(C)nc1I)[N@@H+]1CCCC[C@@H]1C ZINC000906149288 654419204 /nfs/dbraw/zinc/41/92/04/654419204.db2.gz GFFWACAGFKFQAD-QWRGUYRKSA-N 1 0 390.269 2.017 20 0 GEADRO CC1CC[NH+](CCNC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906167234 654419558 /nfs/dbraw/zinc/41/95/58/654419558.db2.gz RZKHXPVQJIIHDZ-UHFFFAOYSA-N 1 0 382.302 2.407 20 0 GEADRO CN(C)c1cc[nH+]c(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000906198930 654420561 /nfs/dbraw/zinc/42/05/61/654420561.db2.gz FSRPMVWVCZJPFM-UHFFFAOYSA-N 1 0 381.885 2.281 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922951859 654421536 /nfs/dbraw/zinc/42/15/36/654421536.db2.gz BQYIYOBXBRFYKU-INIZCTEOSA-N 1 0 386.945 2.477 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](O)c1ccnn1C ZINC000922971001 654422329 /nfs/dbraw/zinc/42/23/29/654422329.db2.gz UFHAUBSKWIYJFM-QGZVFWFLSA-N 1 0 390.285 2.500 20 0 GEADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2c(Br)cnn2C)cc1OC ZINC000873192249 654422524 /nfs/dbraw/zinc/42/25/24/654422524.db2.gz BIHLXAUJVQVMQF-QGZVFWFLSA-N 1 0 398.301 2.283 20 0 GEADRO CCS(=O)(=O)c1ccc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873303829 654424149 /nfs/dbraw/zinc/42/41/49/654424149.db2.gz LIURFUHOBYXDMT-GXFFZTMASA-N 1 0 379.404 2.081 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873318392 654424387 /nfs/dbraw/zinc/42/43/87/654424387.db2.gz CAHGIHFNJUAFGV-LBPRGKRZSA-N 1 0 383.290 2.433 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873312395 654424430 /nfs/dbraw/zinc/42/44/30/654424430.db2.gz NVDFEINJEZWKPN-GFCCVEGCSA-N 1 0 383.290 2.433 20 0 GEADRO Cc1ccc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c(Br)n1 ZINC000873313381 654424456 /nfs/dbraw/zinc/42/44/56/654424456.db2.gz LHRWHMKWUKROQX-LBPRGKRZSA-N 1 0 383.290 2.433 20 0 GEADRO Cc1nccc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1Br ZINC000873321177 654424461 /nfs/dbraw/zinc/42/44/61/654424461.db2.gz IPPHVALMAWQZII-BDAKNGLRSA-N 1 0 381.196 2.175 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)C[C@H]1C(F)(F)F ZINC000873316641 654424465 /nfs/dbraw/zinc/42/44/65/654424465.db2.gz SRXRZTZFATYKBJ-PHDIDXHHSA-N 1 0 377.314 2.244 20 0 GEADRO Cn1cc(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c(I)n1 ZINC000923007217 654424373 /nfs/dbraw/zinc/42/43/73/654424373.db2.gz PGRQQCSBNJJRGH-FZNQNYSPSA-N 1 0 397.260 2.207 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873312396 654424471 /nfs/dbraw/zinc/42/44/71/654424471.db2.gz NVDFEINJEZWKPN-LBPRGKRZSA-N 1 0 383.290 2.433 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1Br ZINC000873323150 654424782 /nfs/dbraw/zinc/42/47/82/654424782.db2.gz FLCSREKOAZGITQ-BLLLJJGKSA-N 1 0 381.274 2.215 20 0 GEADRO O[C@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C12CCOCC2 ZINC000923020775 654425102 /nfs/dbraw/zinc/42/51/02/654425102.db2.gz PHZFIBVNBWUHJN-GJZGRUSLSA-N 1 0 384.270 2.240 20 0 GEADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H](c1nccs1)C(F)(F)F ZINC000873328953 654425183 /nfs/dbraw/zinc/42/51/83/654425183.db2.gz RZKCOENLKANSLJ-WDEREUQCSA-N 1 0 378.420 2.204 20 0 GEADRO OC[C@@]1([NH2+]Cc2cn(C3CC3)nn2)CCc2cc(Br)ccc2C1 ZINC000906312572 654427409 /nfs/dbraw/zinc/42/74/09/654427409.db2.gz CKNRIQWNWLOXSI-QGZVFWFLSA-N 1 0 377.286 2.385 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000923126127 654427725 /nfs/dbraw/zinc/42/77/25/654427725.db2.gz HGRDAGSOWMFXJX-ZIAGYGMSSA-N 1 0 382.306 2.397 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000855695922 654434123 /nfs/dbraw/zinc/43/41/23/654434123.db2.gz WXLHRNCVKJWEQD-UHFFFAOYSA-N 1 0 395.301 2.022 20 0 GEADRO C[C@@H]1[C@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000923223164 654435116 /nfs/dbraw/zinc/43/51/16/654435116.db2.gz CTTONJKJKGYNMQ-ZWNOBZJWSA-N 1 0 394.273 2.391 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[C@H](O)C(Cl)(Cl)Cl)C[C@H](C)O1 ZINC000906410778 654435553 /nfs/dbraw/zinc/43/55/53/654435553.db2.gz KTKWGUQWBVFCHR-RNJOBUHISA-N 1 0 387.735 2.208 20 0 GEADRO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000906454147 654438983 /nfs/dbraw/zinc/43/89/83/654438983.db2.gz BVXXXYHHTLLVSZ-HIFRSBDPSA-N 1 0 382.302 2.214 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1csc(I)n1 ZINC000923265365 654440703 /nfs/dbraw/zinc/44/07/03/654440703.db2.gz HIZNMNLJCLXFHT-DTWKUNHWSA-N 1 0 377.251 2.056 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291410 654441554 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398.301 2.437 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906529184 654446774 /nfs/dbraw/zinc/44/67/74/654446774.db2.gz MUXZQTKCGNAIGV-LBPRGKRZSA-N 1 0 378.274 2.196 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000873671990 654446949 /nfs/dbraw/zinc/44/69/49/654446949.db2.gz ZGOGZHVUOIVTFY-TZMCWYRMSA-N 1 0 396.285 2.139 20 0 GEADRO Cc1c(Cl)c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)sc1S(N)(=O)=O ZINC000855898301 654447340 /nfs/dbraw/zinc/44/73/40/654447340.db2.gz ABFVHGJGAFQTCO-SNVBAGLBSA-N 1 0 393.962 2.208 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1nccn2c(Br)cnc12 ZINC000855898754 654447503 /nfs/dbraw/zinc/44/75/03/654447503.db2.gz UOQSSWKEBGLUPK-GFCCVEGCSA-N 1 0 380.290 2.342 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)c2nscc2I)CC1 ZINC000906545785 654447915 /nfs/dbraw/zinc/44/79/15/654447915.db2.gz MUXQKCQYYRBZAI-UHFFFAOYSA-N 1 0 379.267 2.304 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)c1nscc1I ZINC000906568324 654449463 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CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000873718388 654453877 /nfs/dbraw/zinc/45/38/77/654453877.db2.gz OELJTSRRDIDQSP-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000873718410 654454309 /nfs/dbraw/zinc/45/43/09/654454309.db2.gz OTGDQGGCXQBRSZ-LBPRGKRZSA-N 1 0 396.285 2.048 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873718985 654454328 /nfs/dbraw/zinc/45/43/28/654454328.db2.gz XQMBUSZTYKJOJT-NSHDSACASA-N 1 0 398.301 2.169 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923484021 654455082 /nfs/dbraw/zinc/45/50/82/654455082.db2.gz NBCYBDGCQGXDHS-BONVTDFDSA-N 1 0 379.810 2.471 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCOc1ccc(F)c(F)c1 ZINC000894236479 654458124 /nfs/dbraw/zinc/45/81/24/654458124.db2.gz UCBKYDHXLNYUJG-UHFFFAOYSA-N 1 0 393.175 2.472 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000873754405 654459109 /nfs/dbraw/zinc/45/91/09/654459109.db2.gz JSWKCESKKDBHNW-QWHCGFSZSA-N 1 0 398.301 2.385 20 0 GEADRO COc1cccc(N2CCC[C@H]([NH2+]Cc3nc(Br)nn3C)C2)c1 ZINC000894261855 654460573 /nfs/dbraw/zinc/46/05/73/654460573.db2.gz UZBWVBNVJYOTPH-LBPRGKRZSA-N 1 0 380.290 2.345 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000906696421 654461551 /nfs/dbraw/zinc/46/15/51/654461551.db2.gz FIGTVQCTCTWWDS-UHFFFAOYSA-N 1 0 380.164 2.014 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000906697390 654462127 /nfs/dbraw/zinc/46/21/27/654462127.db2.gz NOFGQWOHHQOKNJ-UHFFFAOYSA-N 1 0 380.164 2.014 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000894285678 654462125 /nfs/dbraw/zinc/46/21/25/654462125.db2.gz YZTQALSMVAPLGJ-GFCCVEGCSA-N 1 0 377.251 2.084 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000923530850 654462663 /nfs/dbraw/zinc/46/26/63/654462663.db2.gz CQLYHIJBOQKVNJ-AWEZNQCLSA-N 1 0 382.306 2.399 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCc1cnc(Br)cn1 ZINC000923533049 654463131 /nfs/dbraw/zinc/46/31/31/654463131.db2.gz JBAZSRVHIRTPEP-KGLIPLIRSA-N 1 0 382.306 2.397 20 0 GEADRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cn(C)nc2I)c(C)o1 ZINC000894305911 654463655 /nfs/dbraw/zinc/46/36/55/654463655.db2.gz WYDDJYYTVPDJAM-AWEZNQCLSA-N 1 0 389.237 2.232 20 0 GEADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1c(I)cnn1C ZINC000894315347 654464743 /nfs/dbraw/zinc/46/47/43/654464743.db2.gz DOMHHMDJSOQGJF-UHFFFAOYSA-N 1 0 379.242 2.236 20 0 GEADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000906734402 654465555 /nfs/dbraw/zinc/46/55/55/654465555.db2.gz FVRUDHVJCXNMKH-VIFPVBQESA-N 1 0 390.228 2.314 20 0 GEADRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(I)cnn2C)C1 ZINC000894325271 654465631 /nfs/dbraw/zinc/46/56/31/654465631.db2.gz RKZAWZQIHWADIU-FDMGOTLNSA-N 1 0 395.310 2.194 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000873796277 654465701 /nfs/dbraw/zinc/46/57/01/654465701.db2.gz SKMGIDITJAEXKJ-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)c1 ZINC000906736204 654466033 /nfs/dbraw/zinc/46/60/33/654466033.db2.gz SKENEAHARZUJMB-LLVKDONJSA-N 1 0 384.274 2.045 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000906739509 654466473 /nfs/dbraw/zinc/46/64/73/654466473.db2.gz MPLZPGHMELDENM-CZMCAQCFSA-N 1 0 379.766 2.073 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)c1 ZINC000906740566 654466870 /nfs/dbraw/zinc/46/68/70/654466870.db2.gz YCEWHPWBYSJRJS-XYPYZODXSA-N 1 0 375.416 2.441 20 0 GEADRO CC1([NH+]2CCC2)CCC(NC(=O)NCc2cnc(Br)cn2)CC1 ZINC000923548830 654467472 /nfs/dbraw/zinc/46/74/72/654467472.db2.gz FJZQGZFSVFYRMK-UHFFFAOYSA-N 1 0 382.306 2.445 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CN(c3ncc(I)c4ccccc43)C2)C1 ZINC000894348644 654467640 /nfs/dbraw/zinc/46/76/40/654467640.db2.gz DTPDVVLOJZZSJR-GFCCVEGCSA-N 1 0 395.244 2.095 20 0 GEADRO Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000894351000 654468001 /nfs/dbraw/zinc/46/80/01/654468001.db2.gz YDURLUYSCUAQTD-CVEARBPZSA-N 1 0 396.329 2.498 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cccc(Cl)c1Br)C2 ZINC000906753313 654468087 /nfs/dbraw/zinc/46/80/87/654468087.db2.gz SOEROVSXPWXTSN-GUBZILKMSA-N 1 0 386.677 2.379 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(I)n1 ZINC000894358513 654468843 /nfs/dbraw/zinc/46/88/43/654468843.db2.gz GNXWIZJHTLKZEH-JHJVBQTASA-N 1 0 387.265 2.462 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000873817863 654468888 /nfs/dbraw/zinc/46/88/88/654468888.db2.gz LRPXNCVOMKQRRJ-LBPRGKRZSA-N 1 0 398.301 2.196 20 0 GEADRO C[C@H]([NH2+]Cc1cn(C)nc1I)[C@H](O)Cc1ccccc1 ZINC000894357876 654468965 /nfs/dbraw/zinc/46/89/65/654468965.db2.gz DBNNHSDNCXCCIM-SMDDNHRTSA-N 1 0 385.249 2.106 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906764229 654469066 /nfs/dbraw/zinc/46/90/66/654469066.db2.gz BAIOGWMQTOFRFI-INIZCTEOSA-N 1 0 384.249 2.190 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764232 654469231 /nfs/dbraw/zinc/46/92/31/654469231.db2.gz BAIOGWMQTOFRFI-MRXNPFEDSA-N 1 0 384.249 2.190 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764792 654469686 /nfs/dbraw/zinc/46/96/86/654469686.db2.gz IOICGVXWPORYDM-OAHLLOKOSA-N 1 0 386.677 2.396 20 0 GEADRO Cn1cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c(I)n1 ZINC000894367454 654469956 /nfs/dbraw/zinc/46/99/56/654469956.db2.gz LQKULWBWSWSFBG-AWEZNQCLSA-N 1 0 389.212 2.161 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC000906766883 654470172 /nfs/dbraw/zinc/47/01/72/654470172.db2.gz YXTBRKXAGPXGFT-KRWDZBQOSA-N 1 0 380.286 2.359 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000873830640 654470239 /nfs/dbraw/zinc/47/02/39/654470239.db2.gz LILBDKXXYSPHJC-WCQYABFASA-N 1 0 398.301 2.337 20 0 GEADRO Cn1ncc(I)c1CNC[C@@H](c1ccccc1)[NH+](C)C ZINC000894382377 654471256 /nfs/dbraw/zinc/47/12/56/654471256.db2.gz SOMXUVHMCBGJAU-AWEZNQCLSA-N 1 0 384.265 2.417 20 0 GEADRO C[C@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)s1)[C@H]1C[N@H+](C)CCN1C ZINC000906783226 654471975 /nfs/dbraw/zinc/47/19/75/654471975.db2.gz ZCWWPEMLFLGAHF-SWLSCSKDSA-N 1 0 381.933 2.010 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC[C@@H]2C[C@]2(C)Br)c1 ZINC000894386066 654472180 /nfs/dbraw/zinc/47/21/80/654472180.db2.gz VDVDVEPBMXWWKN-WFASDCNBSA-N 1 0 390.347 2.112 20 0 GEADRO O=S(=O)([C@@H]1CCC[NH2+]C1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000923628422 654472833 /nfs/dbraw/zinc/47/28/33/654472833.db2.gz OXETYFHKFUDOBT-MSOLQXFVSA-N 1 0 380.535 2.366 20 0 GEADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254658 654473133 /nfs/dbraw/zinc/47/31/33/654473133.db2.gz XSWCJBXELDXMGA-SJORKVTESA-N 1 0 387.307 2.475 20 0 GEADRO O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856257075 654473567 /nfs/dbraw/zinc/47/35/67/654473567.db2.gz TUGJNTRGVYIXKL-ZDUSSCGKSA-N 1 0 383.279 2.312 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254760 654473579 /nfs/dbraw/zinc/47/35/79/654473579.db2.gz ZDGUHLSPTHNBMZ-MRXNPFEDSA-N 1 0 381.314 2.358 20 0 GEADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cnc(CC(F)(F)F)s2)NC(=O)NC1=O ZINC000894417751 654474003 /nfs/dbraw/zinc/47/40/03/654474003.db2.gz WFVLOFPYVCWOLI-XPTSAGLGSA-N 1 0 376.404 2.201 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2occc2Br)CC1 ZINC000923658977 654474196 /nfs/dbraw/zinc/47/41/96/654474196.db2.gz QTMWLCJEXHKIGE-GFCCVEGCSA-N 1 0 377.304 2.441 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C2(S(C)(=O)=O)CC2)C[C@H]1C(F)(F)F ZINC000894420405 654474414 /nfs/dbraw/zinc/47/44/14/654474414.db2.gz ZCULNRCOTVDDNC-YVECIDJPSA-N 1 0 385.448 2.452 20 0 GEADRO Cc1cc(OCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000906810441 654474689 /nfs/dbraw/zinc/47/46/89/654474689.db2.gz MFNBCSMWQBZEHV-HNNXBMFYSA-N 1 0 397.313 2.317 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)NC[C@]34CCC[C@H]3[NH2+]CC4)cc2N1 ZINC000923677143 654475381 /nfs/dbraw/zinc/47/53/81/654475381.db2.gz ZHRRYWVTGCHNSB-NVXWUHKLSA-N 1 0 383.901 2.035 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCc3cnc(Cl)s3)C2)[C@@H]1C(C)C ZINC000923678769 654475527 /nfs/dbraw/zinc/47/55/27/654475527.db2.gz APQOPTBGAMTKOQ-WVZRYYJFSA-N 1 0 386.949 2.466 20 0 GEADRO O=S(=O)(NC[C@]12CCC[C@H]1[NH2+]CC2)c1cc(F)ccc1Br ZINC000923680104 654475799 /nfs/dbraw/zinc/47/57/99/654475799.db2.gz PLNQZFYLMPCVPE-ZIAGYGMSSA-N 1 0 377.279 2.399 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)Cc1cc(Cl)ccc1F)CC2 ZINC000923687998 654477327 /nfs/dbraw/zinc/47/73/27/654477327.db2.gz PEVVGTBPKYUGCN-CQSZACIVSA-N 1 0 376.881 2.139 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)Cc1ccc(F)cc1Cl)CC2 ZINC000923687497 654477332 /nfs/dbraw/zinc/47/73/32/654477332.db2.gz ILHQAEIIMMOCDE-AWEZNQCLSA-N 1 0 376.881 2.139 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)[C@]12CCCO2 ZINC000894462128 654477861 /nfs/dbraw/zinc/47/78/61/654477861.db2.gz UKEAMDMERHRYMJ-CKEIUWERSA-N 1 0 387.933 2.449 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cnc2ccccc2c1Br)C[NH+](C)C ZINC000873890847 654478141 /nfs/dbraw/zinc/47/81/41/654478141.db2.gz UKAHTKPOCRYSSQ-NSHDSACASA-N 1 0 393.285 2.250 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@H](CC[NH3+])C3)ccc2s1 ZINC000923697318 654478348 /nfs/dbraw/zinc/47/83/48/654478348.db2.gz MKKIQQLWJSWLNX-LBPRGKRZSA-N 1 0 382.507 2.437 20 0 GEADRO C[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)CC[C@@H]1C[NH3+] ZINC000923698350 654478616 /nfs/dbraw/zinc/47/86/16/654478616.db2.gz CEPFLMOHMHQPAX-WDEREUQCSA-N 1 0 379.295 2.335 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000923698028 654478676 /nfs/dbraw/zinc/47/86/76/654478676.db2.gz WLPICNGLODTRMQ-CYBMUJFWSA-N 1 0 376.906 2.115 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906848147 654479142 /nfs/dbraw/zinc/47/91/42/654479142.db2.gz UKUNTXMOJJUEOO-CYBMUJFWSA-N 1 0 392.301 2.444 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000894474104 654479229 /nfs/dbraw/zinc/47/92/29/654479229.db2.gz NASAXCCCZPEBGE-UHFFFAOYSA-N 1 0 385.946 2.268 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923704431 654479732 /nfs/dbraw/zinc/47/97/32/654479732.db2.gz SQNWGHRRYUTRGS-RDBSUJKOSA-N 1 0 390.933 2.359 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)oc1Cl ZINC000906863317 654480250 /nfs/dbraw/zinc/48/02/50/654480250.db2.gz FMSOQBAGYBNHBI-UHFFFAOYSA-N 1 0 392.905 2.461 20 0 GEADRO C[C@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000894500834 654481121 /nfs/dbraw/zinc/48/11/21/654481121.db2.gz WZAUKBXCYHTVQF-NSHDSACASA-N 1 0 379.452 2.112 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)Nc2cc(Br)ccc2NC2CC2)C1 ZINC000906869869 654481557 /nfs/dbraw/zinc/48/15/57/654481557.db2.gz FMABFPGFLOXTAF-UHFFFAOYSA-N 1 0 381.318 2.455 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000923736103 654481820 /nfs/dbraw/zinc/48/18/20/654481820.db2.gz IHGDDBYXIKACSZ-OCCSQVGLSA-N 1 0 376.906 2.161 20 0 GEADRO COC(=O)COc1ccccc1C[N@H+](C)CCn1cc(Br)cn1 ZINC000894527252 654483325 /nfs/dbraw/zinc/48/33/25/654483325.db2.gz LFHPDLARHKMKSX-UHFFFAOYSA-N 1 0 382.258 2.329 20 0 GEADRO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cn(C)nc1I)CC2 ZINC000894542084 654484327 /nfs/dbraw/zinc/48/43/27/654484327.db2.gz FVOSTCRMIFZEST-CYBMUJFWSA-N 1 0 399.280 2.449 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C(C)=O)ccc2Br)C1 ZINC000873945617 654486871 /nfs/dbraw/zinc/48/68/71/654486871.db2.gz UTOOLINTDKOWTG-CYBMUJFWSA-N 1 0 396.285 2.191 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1c(Br)nc2n1CCOC2)c1ccccc1 ZINC000856725997 654487124 /nfs/dbraw/zinc/48/71/24/654487124.db2.gz VCUWUNHXVPKJRJ-CYBMUJFWSA-N 1 0 393.285 2.209 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c(I)n1 ZINC000894572911 654487357 /nfs/dbraw/zinc/48/73/57/654487357.db2.gz OPJQQWZNHDBQLB-CYBMUJFWSA-N 1 0 383.233 2.377 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nscc1I ZINC000906926892 654488629 /nfs/dbraw/zinc/48/86/29/654488629.db2.gz DNCBECGHBXNVAJ-ZJUUUORDSA-N 1 0 391.278 2.447 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNC(=O)C[C@H](O)C(Cl)(Cl)Cl)C[C@H](C)O1 ZINC000906930314 654489151 /nfs/dbraw/zinc/48/91/51/654489151.db2.gz GFEVUNCMOLRSHX-TUAOUCFPSA-N 1 0 375.724 2.113 20 0 GEADRO C[C@H]1C[C@H](NC(=O)c2nscc2I)C[N@@H+]1C1CC1 ZINC000906939818 654490439 /nfs/dbraw/zinc/49/04/39/654490439.db2.gz HMLDVFJVACHKDL-YUMQZZPRSA-N 1 0 377.251 2.103 20 0 GEADRO COC(=O)c1c[nH]c(C[NH2+]CCn2cc(Br)ccc2=O)c1C1CC1 ZINC000894665884 654493304 /nfs/dbraw/zinc/49/33/04/654493304.db2.gz BZUUJODVTMTJIU-UHFFFAOYSA-N 1 0 394.269 2.393 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000894670265 654493656 /nfs/dbraw/zinc/49/36/56/654493656.db2.gz FIYCZTGREXWQRD-MRXNPFEDSA-N 1 0 384.318 2.344 20 0 GEADRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856779312 654494211 /nfs/dbraw/zinc/49/42/11/654494211.db2.gz WGAGTRWCOOIPJC-VIFPVBQESA-N 1 0 381.782 2.426 20 0 GEADRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@](C)(CO)c2ccc(Br)cc2)C1(F)F ZINC000894746839 654496654 /nfs/dbraw/zinc/49/66/54/654496654.db2.gz YVRDOGLMQUVQRK-MBNYWOFBSA-N 1 0 378.213 2.301 20 0 GEADRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)C1(F)F ZINC000894746838 654496779 /nfs/dbraw/zinc/49/67/79/654496779.db2.gz YVRDOGLMQUVQRK-DYEKYZERSA-N 1 0 378.213 2.301 20 0 GEADRO CC(C)[C@H]([NH2+]Cc1c(I)cnn1C)C1(CO)CCC1 ZINC000894831618 654501779 /nfs/dbraw/zinc/50/17/79/654501779.db2.gz AYJAFTGSFRJRRY-ZDUSSCGKSA-N 1 0 377.270 2.302 20 0 GEADRO O[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Cc1cccc(F)c1 ZINC000894869303 654503303 /nfs/dbraw/zinc/50/33/03/654503303.db2.gz SXDHNAJKSLWACS-AWEZNQCLSA-N 1 0 385.892 2.465 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c(I)n1 ZINC000894894374 654504325 /nfs/dbraw/zinc/50/43/25/654504325.db2.gz GMASNQIZLUDWQM-LLVKDONJSA-N 1 0 375.254 2.464 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000894894600 654504373 /nfs/dbraw/zinc/50/43/73/654504373.db2.gz JHEXWXUIJASFHO-LLVKDONJSA-N 1 0 375.254 2.464 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c(I)n1 ZINC000894918231 654505215 /nfs/dbraw/zinc/50/52/15/654505215.db2.gz SHLWPPWWEKSMAX-TZMCWYRMSA-N 1 0 398.248 2.430 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nscc2I)C1 ZINC000907063933 654506001 /nfs/dbraw/zinc/50/60/01/654506001.db2.gz DZESPAIANLSLGV-MWLCHTKSSA-N 1 0 391.278 2.304 20 0 GEADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000894934573 654506377 /nfs/dbraw/zinc/50/63/77/654506377.db2.gz RBVHWZSEGSCSGA-QGZVFWFLSA-N 1 0 376.254 2.179 20 0 GEADRO NC(=O)[C@@H]1C[N@H+](Cc2ncc(Br)cc2O)C[C@H]1c1ccccc1 ZINC000894935037 654506402 /nfs/dbraw/zinc/50/64/02/654506402.db2.gz VZVFPRKRNJRBBB-UONOGXRCSA-N 1 0 376.254 2.251 20 0 GEADRO C[C@@H](NC(=O)c1cnnn1-c1cc(Cl)ccc1Cl)[C@@H]1CN(C)CCO1 ZINC000907070022 654507004 /nfs/dbraw/zinc/50/70/04/654507004.db2.gz BSDWIXJUUXBNOM-BMIGLBTASA-N 1 0 384.267 2.023 20 0 GEADRO COc1ccc(Br)c(CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)c1 ZINC000924499465 654515417 /nfs/dbraw/zinc/51/54/17/654515417.db2.gz LRBPZOFGCCCIAR-HNNXBMFYSA-N 1 0 396.285 2.364 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907215349 654520766 /nfs/dbraw/zinc/52/07/66/654520766.db2.gz DZEPOFXNIOWGHI-DYVFJYSZSA-N 1 0 398.345 2.135 20 0 GEADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907215353 654520988 /nfs/dbraw/zinc/52/09/88/654520988.db2.gz DZEPOFXNIOWGHI-SUMWQHHRSA-N 1 0 398.345 2.135 20 0 GEADRO CN(C)c1cc[nH+]c(CNC(=O)NC[C@H](O)c2cccc(Br)c2)c1 ZINC000924668080 654522084 /nfs/dbraw/zinc/52/20/84/654522084.db2.gz OGZZNFIIJNBABR-INIZCTEOSA-N 1 0 393.285 2.443 20 0 GEADRO CN(C)c1cc[nH+]c(CNC(=O)N[C@H](CO)c2cccc(Br)c2)c1 ZINC000924658914 654522137 /nfs/dbraw/zinc/52/21/37/654522137.db2.gz JPQXUTOJAWQUPC-MRXNPFEDSA-N 1 0 393.285 2.443 20 0 GEADRO Cc1cc(Br)c(CC(=O)NC2(CCO)CC[NH+](C)CC2)s1 ZINC000907239254 654522788 /nfs/dbraw/zinc/52/27/88/654522788.db2.gz SLTFTNCINSZLRG-UHFFFAOYSA-N 1 0 375.332 2.325 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1(Br)CC1 ZINC000924790470 654524826 /nfs/dbraw/zinc/52/48/26/654524826.db2.gz HPOATPYGPZTTTO-AAEUAGOBSA-N 1 0 383.286 2.217 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3ncc(Br)cc32)C1 ZINC000924846545 654525859 /nfs/dbraw/zinc/52/58/59/654525859.db2.gz SARCBOBOTURHMS-DOMZBBRYSA-N 1 0 388.331 2.235 20 0 GEADRO COc1ccc([C@H]2NC(=O)N([C@@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1Br ZINC000924887424 654527788 /nfs/dbraw/zinc/52/77/88/654527788.db2.gz SOLIAVOUOJNXLL-IUODEOHRSA-N 1 0 394.269 2.287 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)C(C)(C)CO ZINC000924920362 654529103 /nfs/dbraw/zinc/52/91/03/654529103.db2.gz PBRFDOWTIFVRCM-AAEUAGOBSA-N 1 0 393.265 2.028 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)oc1Cl ZINC000907301096 654529316 /nfs/dbraw/zinc/52/93/16/654529316.db2.gz YCVMKTWNOXOBEA-WCQYABFASA-N 1 0 392.905 2.461 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)oc1Cl ZINC000907301095 654529379 /nfs/dbraw/zinc/52/93/79/654529379.db2.gz YCVMKTWNOXOBEA-DGCLKSJQSA-N 1 0 392.905 2.461 20 0 GEADRO C[C@]1(CS(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)CC1(Cl)Cl ZINC000907328300 654532289 /nfs/dbraw/zinc/53/22/89/654532289.db2.gz NCPHNIITSUCBIZ-CQSZACIVSA-N 1 0 385.357 2.133 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000925085166 654533383 /nfs/dbraw/zinc/53/33/83/654533383.db2.gz FOYUSZHIZLOODW-OAHLLOKOSA-N 1 0 385.277 2.406 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CCn3cccn3)C2)s1 ZINC000907346466 654534597 /nfs/dbraw/zinc/53/45/97/654534597.db2.gz NASXCSACIZSPMF-MRXNPFEDSA-N 1 0 382.555 2.037 20 0 GEADRO CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000925143086 654534838 /nfs/dbraw/zinc/53/48/38/654534838.db2.gz PSPAVDGIUOLENO-HZPDHXFCSA-N 1 0 383.539 2.182 20 0 GEADRO COC1(OC)CC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000925156411 654535513 /nfs/dbraw/zinc/53/55/13/654535513.db2.gz JXAZKZZECBPWHL-OAHLLOKOSA-N 1 0 388.555 2.206 20 0 GEADRO O=C(NC[C@H](CO)c1ccc(Cl)cc1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925163234 654535769 /nfs/dbraw/zinc/53/57/69/654535769.db2.gz JLYWKCDQGUNUSR-HYVNUMGLSA-N 1 0 383.945 2.295 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000925163319 654535872 /nfs/dbraw/zinc/53/58/72/654535872.db2.gz JVUUJRAUMVVBSO-QAETUUGQSA-N 1 0 381.567 2.045 20 0 GEADRO C[C@H](C[NH2+][C@H]1C(=O)NCC12CCOCC2)Oc1ccc(Br)cc1 ZINC000925183855 654536882 /nfs/dbraw/zinc/53/68/82/654536882.db2.gz KQDGEQUSXQTKSE-DOMZBBRYSA-N 1 0 383.286 2.101 20 0 GEADRO COc1ccc(Br)c([C@H]2C(=O)N([C@H]3CCC[N@H+](C)C3)C(=O)N2C)c1 ZINC000925290125 654539709 /nfs/dbraw/zinc/53/97/09/654539709.db2.gz AUSQDGYTLSHLNJ-NHYWBVRUSA-N 1 0 396.285 2.487 20 0 GEADRO COc1ccc(Br)c([C@@H]2C(=O)N(C[C@H](C)[NH+](C)C)C(=O)N2C)c1 ZINC000925317615 654541248 /nfs/dbraw/zinc/54/12/48/654541248.db2.gz FOZQXIAUBPQIOS-IINYFYTJSA-N 1 0 384.274 2.343 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000925350338 654542407 /nfs/dbraw/zinc/54/24/07/654542407.db2.gz CNGXEILSAIVVOU-CYBMUJFWSA-N 1 0 376.320 2.139 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(Br)n1 ZINC000925523684 654545715 /nfs/dbraw/zinc/54/57/15/654545715.db2.gz VENQDVKMTMVTJD-LLVKDONJSA-N 1 0 388.331 2.451 20 0 GEADRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000925566530 654546096 /nfs/dbraw/zinc/54/60/96/654546096.db2.gz INIBZXHUILVGJM-XJKSGUPXSA-N 1 0 396.329 2.433 20 0 GEADRO C[C@H](C[C@H]1COCC[NH2+]1)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000925775354 654549070 /nfs/dbraw/zinc/54/90/70/654549070.db2.gz PNDZVNXGWDMJIA-CJNGLKHVSA-N 1 0 379.302 2.491 20 0 GEADRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925787366 654549589 /nfs/dbraw/zinc/54/95/89/654549589.db2.gz ARXWWUDJGWCOPO-BBRMVZONSA-N 1 0 378.460 2.393 20 0 GEADRO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(F)c(Br)c1 ZINC000925796033 654550333 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C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000912814311 654769113 /nfs/dbraw/zinc/76/91/13/654769113.db2.gz VOHMBCNQCXSHFB-ZFWWWQNUSA-N 1 0 384.318 2.190 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000912815875 654769146 /nfs/dbraw/zinc/76/91/46/654769146.db2.gz RDTCMMSPLSEHIA-SWLSCSKDSA-N 1 0 387.933 2.180 20 0 GEADRO O=C(Nc1ccc2c(c1)SCC(=O)N2)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000932216072 654770707 /nfs/dbraw/zinc/77/07/07/654770707.db2.gz RGUAQYDKBXSAGD-GXTWGEPZSA-N 1 0 378.523 2.432 20 0 GEADRO COc1cc(/C=C\C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc(Br)c1O ZINC000912921600 654774433 /nfs/dbraw/zinc/77/44/33/654774433.db2.gz JBGVKFULPRZFSO-DHCBQETCSA-N 1 0 381.270 2.483 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912921227 654774460 /nfs/dbraw/zinc/77/44/60/654774460.db2.gz CIGANMLEHFQQSN-OAHLLOKOSA-N 1 0 395.301 2.267 20 0 GEADRO COc1nsc(CNC(=O)c2ccc(C[NH+](C)C)nc2)c1Br ZINC000912945787 654775464 /nfs/dbraw/zinc/77/54/64/654775464.db2.gz FUHMBERKFZILJE-UHFFFAOYSA-N 1 0 385.287 2.301 20 0 GEADRO COc1cc(Br)cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000932473991 654778686 /nfs/dbraw/zinc/77/86/86/654778686.db2.gz DEYQLJCMAHPXGS-UHFFFAOYSA-N 1 0 384.318 2.167 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000932671496 654785179 /nfs/dbraw/zinc/78/51/79/654785179.db2.gz RBWVJJJNYWFCJE-AAEUAGOBSA-N 1 0 392.414 2.304 20 0 GEADRO C[N@@H+]1CCCN(CCCNC(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC000932726652 654787480 /nfs/dbraw/zinc/78/74/80/654787480.db2.gz WVIGCLOUZGLKLV-UHFFFAOYSA-N 1 0 378.464 2.395 20 0 GEADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)C[C@]2(C)C1 ZINC000913278292 654787663 /nfs/dbraw/zinc/78/76/63/654787663.db2.gz DLPULDVQIFSSRZ-IRXDYDNUSA-N 1 0 393.285 2.445 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000913335253 654788907 /nfs/dbraw/zinc/78/89/07/654788907.db2.gz PHFIDXPCZMLAMS-DOTOQJQBSA-N 1 0 375.296 2.380 20 0 GEADRO C[NH+](C)C1(C)CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000913402081 654790361 /nfs/dbraw/zinc/79/03/61/654790361.db2.gz BMUTXUBNMAIGLW-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H](O)c1cccc(Br)c1 ZINC000913427851 654791672 /nfs/dbraw/zinc/79/16/72/654791672.db2.gz UOLGQAMKVYXENC-KRWDZBQOSA-N 1 0 399.329 2.299 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)Nc1cnc(OC)c(Br)c1C ZINC000932944246 654795311 /nfs/dbraw/zinc/79/53/11/654795311.db2.gz DGXVWVZCBCAQPG-UHFFFAOYSA-N 1 0 389.294 2.203 20 0 GEADRO NS(=O)(=O)C[C@H]1CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000932946858 654795729 /nfs/dbraw/zinc/79/57/29/654795729.db2.gz IZNHSCFOFDTOFA-LBPRGKRZSA-N 1 0 389.315 2.022 20 0 GEADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932950534 654796616 /nfs/dbraw/zinc/79/66/16/654796616.db2.gz QAKQFPKEHQTQHO-LBPRGKRZSA-N 1 0 391.331 2.001 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000933037761 654800890 /nfs/dbraw/zinc/80/08/90/654800890.db2.gz ZHICYXUWWFWHPL-MRXNPFEDSA-N 1 0 390.281 2.382 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000913676360 654803778 /nfs/dbraw/zinc/80/37/78/654803778.db2.gz UMMKMEYGFICOMN-UHFFFAOYSA-N 1 0 392.244 2.055 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913679481 654803995 /nfs/dbraw/zinc/80/39/95/654803995.db2.gz CUZRUIBDUFISQQ-UHFFFAOYSA-N 1 0 391.331 2.356 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)CSc2cccc(Br)c2)CC1 ZINC000913678733 654804020 /nfs/dbraw/zinc/80/40/20/654804020.db2.gz VAYOOMFSYYJUOA-UHFFFAOYSA-N 1 0 387.343 2.456 20 0 GEADRO Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cnc1Br ZINC000933166622 654804004 /nfs/dbraw/zinc/80/40/04/654804004.db2.gz WZSOTUBSSBUXLD-CYBMUJFWSA-N 1 0 382.302 2.383 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000913679222 654804024 /nfs/dbraw/zinc/80/40/24/654804024.db2.gz RJHHSCNTFUPMAO-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000913683926 654804126 /nfs/dbraw/zinc/80/41/26/654804126.db2.gz YGZBEDRDSTYAPP-IXDOHACOSA-N 1 0 393.325 2.250 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000913681602 654804134 /nfs/dbraw/zinc/80/41/34/654804134.db2.gz PWMHTUNPJCENNZ-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cn(C)nc3Br)C2)c1 ZINC000913709669 654805889 /nfs/dbraw/zinc/80/58/89/654805889.db2.gz UAWBWQYHCNQODY-AWEZNQCLSA-N 1 0 377.286 2.495 20 0 GEADRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)Cc3c(Br)cnn3C)C2)c1 ZINC000913709009 654805975 /nfs/dbraw/zinc/80/59/75/654805975.db2.gz IWAOHBHKSXPERL-HNNXBMFYSA-N 1 0 391.313 2.424 20 0 GEADRO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)Cc3c(Br)cnn3C)C2)c1 ZINC000913709010 654805983 /nfs/dbraw/zinc/80/59/83/654805983.db2.gz IWAOHBHKSXPERL-OAHLLOKOSA-N 1 0 391.313 2.424 20 0 GEADRO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC000913738650 654806965 /nfs/dbraw/zinc/80/69/65/654806965.db2.gz AHFOPPPJXINWRE-GFCCVEGCSA-N 1 0 387.299 2.279 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000913796376 654809686 /nfs/dbraw/zinc/80/96/86/654809686.db2.gz BNKVRLMSSMOMHG-SFHVURJKSA-N 1 0 381.314 2.444 20 0 GEADRO C[C@@H](NC(=O)c1cc(Br)cnc1C1CC1)[C@H]1C[N@H+](C)CCN1C ZINC000933381858 654810686 /nfs/dbraw/zinc/81/06/86/654810686.db2.gz DQXOQTYWEAFLNH-IAQYHMDHSA-N 1 0 381.318 2.086 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1ccccc1OC(F)(F)F ZINC000913873069 654812614 /nfs/dbraw/zinc/81/26/14/654812614.db2.gz BFJCPUKCQOEMFB-HNNXBMFYSA-N 1 0 378.416 2.491 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC000933436710 654812954 /nfs/dbraw/zinc/81/29/54/654812954.db2.gz GKRASDZUKFDTID-GDBMZVCRSA-N 1 0 390.343 2.157 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1ccccn1 ZINC000933438856 654813522 /nfs/dbraw/zinc/81/35/22/654813522.db2.gz GYJZTSGECKJOFB-KRWDZBQOSA-N 1 0 378.270 2.366 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)o1 ZINC000933449633 654813848 /nfs/dbraw/zinc/81/38/48/654813848.db2.gz PZIBUSMQQCLYDR-QGZVFWFLSA-N 1 0 386.901 2.267 20 0 GEADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000933444370 654813928 /nfs/dbraw/zinc/81/39/28/654813928.db2.gz LSLBCBBUWNNZSD-KRWDZBQOSA-N 1 0 386.876 2.210 20 0 GEADRO Cn1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000913892393 654814059 /nfs/dbraw/zinc/81/40/59/654814059.db2.gz PSPKGVIDVSEABY-HNNXBMFYSA-N 1 0 392.301 2.256 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Br)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000913912591 654815572 /nfs/dbraw/zinc/81/55/72/654815572.db2.gz DEIAGNKNQPOYAB-NSHDSACASA-N 1 0 391.306 2.492 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000913969228 654819311 /nfs/dbraw/zinc/81/93/11/654819311.db2.gz KFIPWEAJQKLDKZ-LBPRGKRZSA-N 1 0 377.279 2.244 20 0 GEADRO CC(C)[NH2+]C1CCN(C(=O)Nc2cnn(C)c2I)CC1 ZINC000933731741 654821929 /nfs/dbraw/zinc/82/19/29/654821929.db2.gz GATBEDMTPHXLRP-UHFFFAOYSA-N 1 0 391.257 2.019 20 0 GEADRO C[C@H](CNC(=O)Nc1cnn(C)c1I)[NH+]1CCCCC1 ZINC000933735589 654822906 /nfs/dbraw/zinc/82/29/06/654822906.db2.gz YNYMHBWUJBXRSB-SNVBAGLBSA-N 1 0 391.257 2.021 20 0 GEADRO CC(C)[C@H](CNC(=O)NCC(C)(C)CS(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000914066507 654824411 /nfs/dbraw/zinc/82/44/11/654824411.db2.gz XTYBIFQONLWCRI-INIZCTEOSA-N 1 0 375.579 2.113 20 0 GEADRO Cn1ncc(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1I ZINC000933741446 654824942 /nfs/dbraw/zinc/82/49/42/654824942.db2.gz AOSJPIBUJKMUNV-SECBINFHSA-N 1 0 391.257 2.019 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)Nc1cnn(C)c1I ZINC000933743289 654825470 /nfs/dbraw/zinc/82/54/70/654825470.db2.gz YOKBUNGMJVMDTL-UHFFFAOYSA-N 1 0 393.273 2.124 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000933929008 654831218 /nfs/dbraw/zinc/83/12/18/654831218.db2.gz IBNRSVVZTHRCOF-WCQYABFASA-N 1 0 380.286 2.333 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1F ZINC000914185636 654833492 /nfs/dbraw/zinc/83/34/92/654833492.db2.gz MXROOPNTPVHUPH-VHSXEESVSA-N 1 0 395.294 2.358 20 0 GEADRO CO[C@@H]1CCOC[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000934045028 654834831 /nfs/dbraw/zinc/83/48/31/654834831.db2.gz ZFYXWPPSDGKOTN-ZIAGYGMSSA-N 1 0 375.238 2.310 20 0 GEADRO CC1(C)CN(C(=O)c2cc(Br)cnc2Br)CC[NH2+]1 ZINC000934055664 654835380 /nfs/dbraw/zinc/83/53/80/654835380.db2.gz HEEPNVDUBXMTGA-UHFFFAOYSA-N 1 0 377.080 2.431 20 0 GEADRO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914216984 654836031 /nfs/dbraw/zinc/83/60/31/654836031.db2.gz WKTVCQAVYCVPCG-RGUAHJAXSA-N 1 0 384.567 2.233 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccnn1CC1CCC1 ZINC000914234271 654837273 /nfs/dbraw/zinc/83/72/73/654837273.db2.gz MGWHDWMWKBRCBJ-UHFFFAOYSA-N 1 0 382.555 2.497 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000934219753 654839058 /nfs/dbraw/zinc/83/90/58/654839058.db2.gz KZDRZAJMBAQQGR-CYBMUJFWSA-N 1 0 397.317 2.157 20 0 GEADRO COc1cc(Br)cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000934219866 654839173 /nfs/dbraw/zinc/83/91/73/654839173.db2.gz MKHIQJPOHAZITR-CYBMUJFWSA-N 1 0 383.286 2.252 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000934248950 654839543 /nfs/dbraw/zinc/83/95/43/654839543.db2.gz IPXIWVBQUNWLHD-CABCVRRESA-N 1 0 383.290 2.215 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934262899 654841059 /nfs/dbraw/zinc/84/10/59/654841059.db2.gz FUCNXTIJGWBGRH-SJORKVTESA-N 1 0 396.329 2.227 20 0 GEADRO Cn1cc(CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(Br)n1 ZINC000914298941 654843243 /nfs/dbraw/zinc/84/32/43/654843243.db2.gz JGPJJEOQPAEVDZ-OAHLLOKOSA-N 1 0 394.317 2.155 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cscc2C(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000914308421 654844109 /nfs/dbraw/zinc/84/41/09/654844109.db2.gz QQGLQQHRPIPVBA-TZMCWYRMSA-N 1 0 393.525 2.332 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3ccncc32)C[C@H]1[NH+]1CCCC1 ZINC000914390785 654850464 /nfs/dbraw/zinc/85/04/64/654850464.db2.gz MCDRMKBVWQCTTL-IAGOWNOFSA-N 1 0 377.535 2.435 20 0 GEADRO C[C@](CO)([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Br)c1 ZINC000934498036 654851452 /nfs/dbraw/zinc/85/14/52/654851452.db2.gz WMLVHUJECGFSTL-TZMCWYRMSA-N 1 0 395.219 2.409 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1cc(Cl)cc(Br)c1 ZINC000914421920 654852916 /nfs/dbraw/zinc/85/29/16/654852916.db2.gz HXEJUWMHTLIWEP-ZFWWWQNUSA-N 1 0 375.694 2.216 20 0 GEADRO CSCC(C)(C)[NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000934677181 654855296 /nfs/dbraw/zinc/85/52/96/654855296.db2.gz FHHWXNNBIPJGRF-OAHLLOKOSA-N 1 0 376.588 2.066 20 0 GEADRO CC[NH+](CC)CCCNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000914708922 654856704 /nfs/dbraw/zinc/85/67/04/654856704.db2.gz PKBOMQFZQQGJDO-UHFFFAOYSA-N 1 0 380.290 2.492 20 0 GEADRO NC(=O)CC1([NH2+]Cc2nnnn2-c2ccccc2Br)CCCCC1 ZINC000934823256 654861260 /nfs/dbraw/zinc/86/12/60/654861260.db2.gz HOUCACOFXKRHNE-UHFFFAOYSA-N 1 0 393.289 2.093 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935089363 654875166 /nfs/dbraw/zinc/87/51/66/654875166.db2.gz KCLNMGPGEROLEG-JTNHKYCSSA-N 1 0 380.286 2.426 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc3cc(Br)cnc3n2C)C[C@@H]1[NH+](C)C ZINC000935115258 654876730 /nfs/dbraw/zinc/87/67/30/654876730.db2.gz XMNDMIBOFWYLFT-KBPBESRZSA-N 1 0 397.342 2.453 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1occc1Br ZINC000915748657 654878617 /nfs/dbraw/zinc/87/86/17/654878617.db2.gz VAPGJGFSUSUWKD-UHFFFAOYSA-N 1 0 395.319 2.164 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000935316582 654886847 /nfs/dbraw/zinc/88/68/47/654886847.db2.gz CSJZBNMSLGJZME-INIZCTEOSA-N 1 0 385.302 2.100 20 0 GEADRO O=C(NCCN1CCCOCC1)C(F)(F)c1cccc(Br)c1 ZINC000935551854 654899761 /nfs/dbraw/zinc/89/97/61/654899761.db2.gz VLJKTJNYMNRHFZ-UHFFFAOYSA-N 1 0 377.229 2.379 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000935838804 654920634 /nfs/dbraw/zinc/92/06/34/654920634.db2.gz IUBUZQHRXGAJLD-AWEZNQCLSA-N 1 0 387.249 2.249 20 0 GEADRO O=C(C/C=C\c1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000935843171 654921051 /nfs/dbraw/zinc/92/10/51/654921051.db2.gz OFXFELXFIRKMRV-YKUAXSNGSA-N 1 0 378.314 2.359 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4sccc4Cl)C[C@H]32)CC[N@@H+]1C ZINC000972422493 654942019 /nfs/dbraw/zinc/94/20/19/654942019.db2.gz DLOJHGJQMLHGLE-RGCMKSIDSA-N 1 0 381.929 2.415 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncc(Cl)s2)C3)C1 ZINC000998331947 654951255 /nfs/dbraw/zinc/95/12/55/654951255.db2.gz NCEKDQPWDWILTI-RNJOBUHISA-N 1 0 382.917 2.000 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(Cl)cs1)C2 ZINC000999572290 654953397 /nfs/dbraw/zinc/95/33/97/654953397.db2.gz MEVKDESLWISXAC-NDBYEHHHSA-N 1 0 382.917 2.143 20 0 GEADRO C[Si](C)(C)c1ccc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc1Cl ZINC001164389424 718823498 /nfs/dbraw/zinc/82/34/98/718823498.db2.gz IHZKZIPTTISVDR-RYUDHWBXSA-N 1 0 375.923 2.392 20 0 GEADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@H]3C2)c(Cl)n1 ZINC001164390054 718824193 /nfs/dbraw/zinc/82/41/93/718824193.db2.gz LOCYLMZCEFLPHV-YPMHNXCESA-N 1 0 375.803 2.024 20 0 GEADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCN3CC[NH2+]C[C@H]3C2)n1 ZINC001164404333 718839807 /nfs/dbraw/zinc/83/98/07/718839807.db2.gz MICHOGAVCFCUTK-INIZCTEOSA-N 1 0 388.585 2.244 20 0 GEADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164403866 718852483 /nfs/dbraw/zinc/85/24/83/718852483.db2.gz JGCMCBGARVSOPA-SUMWQHHRSA-N 1 0 380.826 2.360 20 0 GEADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)n1 ZINC001164410069 718853062 /nfs/dbraw/zinc/85/30/62/718853062.db2.gz YNYWAHWCSUIEOG-MGPUTAFESA-N 1 0 389.569 2.168 20 0 GEADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164408671 718854215 /nfs/dbraw/zinc/85/42/15/718854215.db2.gz SENCVJFCFRPXPU-YOEHRIQHSA-N 1 0 380.826 2.360 20 0 GEADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164400938 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384.484 2.417 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164620843 719016549 /nfs/dbraw/zinc/01/65/49/719016549.db2.gz ZRUNMMSMLAUKNJ-LPEHRKFASA-N 1 0 395.237 2.144 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(N4CCCC4)n3)CC2)CC1 ZINC001164614045 719020689 /nfs/dbraw/zinc/02/06/89/719020689.db2.gz BNONIJHDKZJJHJ-UHFFFAOYSA-N 1 0 387.528 2.321 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc(N(C)C)n3)CC2)CC1 ZINC001164619323 719021351 /nfs/dbraw/zinc/02/13/51/719021351.db2.gz VQRMTTCRHVVLNB-UHFFFAOYSA-N 1 0 395.935 2.440 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4ccc(=O)n(C)c4n3)CC2)CC1 ZINC001164618579 719027168 /nfs/dbraw/zinc/02/71/68/719027168.db2.gz ZBXPVECTQUUKPN-UHFFFAOYSA-N 1 0 398.507 2.177 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4ncsc4n3)CC2)CC1 ZINC001164617011 719028856 /nfs/dbraw/zinc/02/88/56/719028856.db2.gz IQIRVBAQEGZBJV-UHFFFAOYSA-N 1 0 375.498 2.330 20 0 GEADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ccnc(N3CCOCC3)n2)cc1 ZINC001164626680 719086689 /nfs/dbraw/zinc/08/66/89/719086689.db2.gz INPKNRMQBSQXGH-PMACEKPBSA-N 1 0 379.508 2.414 20 0 GEADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164625111 719115502 /nfs/dbraw/zinc/11/55/02/719115502.db2.gz GNEZRYAEUYYBGK-MWLCHTKSSA-N 1 0 392.809 2.365 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164623971 719134281 /nfs/dbraw/zinc/13/42/81/719134281.db2.gz SSGNIZHETSYRHF-NSHDSACASA-N 1 0 391.205 2.433 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164629988 719136273 /nfs/dbraw/zinc/13/62/73/719136273.db2.gz DYMDPXWZWALGEL-LLVKDONJSA-N 1 0 388.827 2.355 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164633683 719136523 /nfs/dbraw/zinc/13/65/23/719136523.db2.gz SKSGUWBPPIPJBA-CQSZACIVSA-N 1 0 382.798 2.293 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC001164642630 719226419 /nfs/dbraw/zinc/22/64/19/719226419.db2.gz WWKQIHFGFUMBPQ-ZIAGYGMSSA-N 1 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ZINC001164684311 719694166 /nfs/dbraw/zinc/69/41/66/719694166.db2.gz IAPXIALCAKFJQD-UHFFFAOYSA-N 1 0 394.903 2.093 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164684254 719695386 /nfs/dbraw/zinc/69/53/86/719695386.db2.gz HXJHNNHQUYDUEI-UHFFFAOYSA-N 1 0 397.310 2.446 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164689849 719750289 /nfs/dbraw/zinc/75/02/89/719750289.db2.gz LYLUJEVGVYHBBG-UHFFFAOYSA-N 1 0 396.495 2.190 20 0 GEADRO O=C1C[C@@H]2[C@H](CCN2c2ncccc2C[NH+]2CCCC2)N1Cc1cccnc1 ZINC001164690350 719776573 /nfs/dbraw/zinc/77/65/73/719776573.db2.gz ASJVZXAYYHGQOK-VQTJNVASSA-N 1 0 377.492 2.452 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(OC)c(NC(C)C)n1)C2 ZINC001164809767 720066829 /nfs/dbraw/zinc/06/68/29/720066829.db2.gz KBSSWKRSEIJXER-UTKZUKDTSA-N 1 0 389.544 2.490 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)OC(C)C)nn1)C2 ZINC001164814227 720088498 /nfs/dbraw/zinc/08/84/98/720088498.db2.gz WDJBJHAKDYFYJI-UTKZUKDTSA-N 1 0 388.512 2.227 20 0 GEADRO CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164814291 720094379 /nfs/dbraw/zinc/09/43/79/720094379.db2.gz WLIOLAJBJCGGAI-LAUBAEHRSA-N 1 0 388.512 2.146 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1COC3)C2 ZINC001164811833 720094559 /nfs/dbraw/zinc/09/45/59/720094559.db2.gz PSGAUJONMPLLPU-LIRRHRJNSA-N 1 0 378.904 2.345 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3ncnc(Cl)c3n1)C2 ZINC001164811719 720143692 /nfs/dbraw/zinc/14/36/92/720143692.db2.gz NAZSZOCIFDTTTE-LIRRHRJNSA-N 1 0 388.903 2.258 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3ncnc(Cl)c3n1)C2 ZINC001164811717 720143983 /nfs/dbraw/zinc/14/39/83/720143983.db2.gz NAZSZOCIFDTTTE-KUHUBIRLSA-N 1 0 388.903 2.258 20 0 GEADRO Cn1nnc2c1CCN(c1ccc(C(C)(C)C)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714974 720198226 /nfs/dbraw/zinc/19/82/26/720198226.db2.gz HYJBIMOFFNTENX-QGZVFWFLSA-N 1 0 399.543 2.119 20 0 GEADRO CCS(=O)(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001164812638 720206005 /nfs/dbraw/zinc/20/60/05/720206005.db2.gz LNHQOZUOOHINOP-YLJYHZDGSA-N 1 0 393.553 2.060 20 0 GEADRO CCOC(=O)c1cccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813985 720218358 /nfs/dbraw/zinc/21/83/58/720218358.db2.gz QPPNTQWTJZKJGA-UHFFFAOYSA-N 1 0 399.495 2.066 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3ncccc3n1)CCC2 ZINC001164814798 720219737 /nfs/dbraw/zinc/21/97/37/720219737.db2.gz ZJFPHNUZPSUSHF-UHFFFAOYSA-N 1 0 378.480 2.437 20 0 GEADRO Cc1nc2[nH]ccc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825848 720303266 /nfs/dbraw/zinc/30/32/66/720303266.db2.gz UBOOVCBBIRDYMJ-QZTJIDSGSA-N 1 0 382.512 2.178 20 0 GEADRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1Cl ZINC001164818964 720304221 /nfs/dbraw/zinc/30/42/21/720304221.db2.gz CDRSPXLHXLKOMY-DLBZAZTESA-N 1 0 377.920 2.350 20 0 GEADRO Cc1nc(Cl)cnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830884 720321119 /nfs/dbraw/zinc/32/11/19/720321119.db2.gz QHYSABUABIQTLN-HOTGVXAUSA-N 1 0 377.920 2.350 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(Cl)cc2N)CC1 ZINC001164823971 720334096 /nfs/dbraw/zinc/33/40/96/720334096.db2.gz CHFGBESXDNZIRH-HZPDHXFCSA-N 1 0 377.920 2.229 20 0 GEADRO c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(CN3CCOCC3)cn2)c1 ZINC001164724515 720339023 /nfs/dbraw/zinc/33/90/23/720339023.db2.gz KMCXUIZLXWNFCI-NHCUHLMSSA-N 1 0 379.508 2.162 20 0 GEADRO CC(C)Oc1nccnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829516 720347416 /nfs/dbraw/zinc/34/74/16/720347416.db2.gz SHKNWXFVMGPKOR-MSOLQXFVSA-N 1 0 387.528 2.175 20 0 GEADRO COc1ncc(Cl)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164830163 720349684 /nfs/dbraw/zinc/34/96/84/720349684.db2.gz VJPWIHCLNLTCLA-HZPDHXFCSA-N 1 0 393.919 2.050 20 0 GEADRO O=C1NCc2c1c(N1CC[C@H]3[C@@H]1CC[N@@H+]3Cc1cccnc1)nc(Cl)c2F ZINC001164727023 720394867 /nfs/dbraw/zinc/39/48/67/720394867.db2.gz 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NC(=O)c1ccnc(Cl)c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906850 721563344 /nfs/dbraw/zinc/56/33/44/721563344.db2.gz LDURJWNBCGHMTP-ZFWWWQNUSA-N 1 0 390.846 2.315 20 0 GEADRO CCNC(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164809426 721576022 /nfs/dbraw/zinc/57/60/22/721576022.db2.gz XEUQBHFRYQDAQF-IRFCIJBXSA-N 1 0 395.507 2.095 20 0 GEADRO CCOc1nc(Cl)cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165011213 721734657 /nfs/dbraw/zinc/73/46/57/721734657.db2.gz PLODAYKEYHJDNG-UHFFFAOYSA-N 1 0 381.908 2.052 20 0 GEADRO COc1ccc2c(c1)ncnc2N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011919 721737751 /nfs/dbraw/zinc/73/77/51/721737751.db2.gz XOFQBUVVNCENGM-UHFFFAOYSA-N 1 0 383.496 2.161 20 0 GEADRO CC(C)COc1nccnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165012593 721747662 /nfs/dbraw/zinc/74/76/62/721747662.db2.gz LGYOKQVDNDPOSQ-UHFFFAOYSA-N 1 0 375.517 2.034 20 0 GEADRO Cn1cnc2cnc(N3C[C@H]4[C@@H](C3)CCC[C@H]4[N@H+](C)Cc3ccccn3)nc21 ZINC001165028260 721809934 /nfs/dbraw/zinc/80/99/34/721809934.db2.gz WTYUJZMMBVCWPB-HHXXYDBFSA-N 1 0 377.496 2.495 20 0 GEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)cc3C(N)=O)C[C@H]21 ZINC001165023579 721820460 /nfs/dbraw/zinc/82/04/60/721820460.db2.gz HYEKBSDSDQYVKW-NIKGAXFTSA-N 1 0 383.471 2.452 20 0 GEADRO CN(C)C(=O)c1cncc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165020713 721825547 /nfs/dbraw/zinc/82/55/47/721825547.db2.gz DLLGYOQDQJSUPD-HQRMLTQVSA-N 1 0 394.523 2.310 20 0 GEADRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1cc(C[NH+](C)C)ccn1)C2 ZINC001164925401 721836913 /nfs/dbraw/zinc/83/69/13/721836913.db2.gz OXILXJUJSGAGHN-NQIIRXRSSA-N 1 0 382.512 2.198 20 0 GEADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[NH+](C2CCCC2)CC1 ZINC001165027960 721857413 /nfs/dbraw/zinc/85/74/13/721857413.db2.gz DTMXIRGIAYJGAV-UHFFFAOYSA-N 1 0 392.891 2.107 20 0 GEADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164928857 721857926 /nfs/dbraw/zinc/85/79/26/721857926.db2.gz OSRICYCSOTWSQW-GJZGRUSLSA-N 1 0 380.920 2.435 20 0 GEADRO O=S(=O)(c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1)N1CCCCC1 ZINC000074271804 721859682 /nfs/dbraw/zinc/85/96/82/721859682.db2.gz JSJKIUBFYKYCAB-UHFFFAOYSA-N 1 0 378.542 2.321 20 0 GEADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc2ncnc(Cl)c2n1 ZINC001164925224 721869825 /nfs/dbraw/zinc/86/98/25/721869825.db2.gz MYQPLVRGSZYCDD-KGLIPLIRSA-N 1 0 396.873 2.438 20 0 GEADRO CN(C)c1ccc(-c2ccnc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164923151 721874537 /nfs/dbraw/zinc/87/45/37/721874537.db2.gz ITFDRXIJWKAFPH-LEWJYISDSA-N 1 0 380.540 2.424 20 0 GEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1c2c(nnc1Cl)CCC2 ZINC001164931510 721881053 /nfs/dbraw/zinc/88/10/53/721881053.db2.gz GAMKVGVKPZOTCC-HUUCEWRRSA-N 1 0 385.890 2.378 20 0 GEADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1c2c(nnc1Cl)CCC2 ZINC001164931509 721881059 /nfs/dbraw/zinc/88/10/59/721881059.db2.gz GAMKVGVKPZOTCC-GJZGRUSLSA-N 1 0 385.890 2.378 20 0 GEADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)nn2)c(OC)c1 ZINC001164932253 721883936 /nfs/dbraw/zinc/88/39/36/721883936.db2.gz HLYHUEUKXQKLHY-WOJBJXKFSA-N 1 0 397.523 2.375 20 0 GEADRO COC(=O)c1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c2ccccc2c1OC ZINC001164931442 721884819 /nfs/dbraw/zinc/88/48/19/721884819.db2.gz FGVHQMBGFVPSND-ROUUACIJSA-N 1 0 398.507 2.245 20 0 GEADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2c1ncn2-c1ccccc1 ZINC001164936345 721886110 /nfs/dbraw/zinc/88/61/10/721886110.db2.gz ZPKRBCYZTNPHGT-ROUUACIJSA-N 1 0 377.496 2.030 20 0 GEADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165040162 721914339 /nfs/dbraw/zinc/91/43/39/721914339.db2.gz YVCPZVDTHPUJKU-SFHVURJKSA-N 1 0 397.523 2.317 20 0 GEADRO COc1ccc(-c2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nn2)c(OC)c1 ZINC001165045199 721921434 /nfs/dbraw/zinc/92/14/34/721921434.db2.gz ZWDHHBLGBSSQLF-KRWDZBQOSA-N 1 0 384.480 2.462 20 0 GEADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N(C)CC3CC[NH+](C)CC3)nn2)C1 ZINC001165042062 721937082 /nfs/dbraw/zinc/93/70/82/721937082.db2.gz DLMVYLBBDQFAQJ-QGZVFWFLSA-N 1 0 375.517 2.034 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1 ZINC001165044149 721939399 /nfs/dbraw/zinc/93/93/99/721939399.db2.gz KIOXJBCHRMIZNA-UHFFFAOYSA-N 1 0 381.876 2.461 20 0 GEADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC(C[NH+](C)C)CC3)nn2)C1 ZINC001165044852 721949354 /nfs/dbraw/zinc/94/93/54/721949354.db2.gz JJQVREHJUPKDGJ-QGZVFWFLSA-N 1 0 375.517 2.034 20 0 GEADRO Cn1cnc2c1nc(N1CCCC[C@H]1CC[NH+]1CCCC1)nc2N1CCOCC1 ZINC001165049987 721968011 /nfs/dbraw/zinc/96/80/11/721968011.db2.gz XHHKVPPDRGXUGZ-KRWDZBQOSA-N 1 0 399.543 2.045 20 0 GEADRO CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)C2)C1 ZINC001164954174 722010413 /nfs/dbraw/zinc/01/04/13/722010413.db2.gz JQNKTCIDYDNHCA-UWJYYQICSA-N 1 0 387.528 2.075 20 0 GEADRO NC(=O)c1cnc(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951813 722014350 /nfs/dbraw/zinc/01/43/50/722014350.db2.gz FIKGCZGCOUPTPT-UHFFFAOYSA-N 1 0 386.887 2.116 20 0 GEADRO CCOC(=O)c1cnc2cc(N3CC[NH+](CCc4ccccn4)CC3)[nH]cc1-2 ZINC001165056276 722016583 /nfs/dbraw/zinc/01/65/83/722016583.db2.gz RQNQWSVGKHHPPA-UHFFFAOYSA-N 1 0 379.464 2.499 20 0 GEADRO O=C1COc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ccc2N1 ZINC001164953724 722017460 /nfs/dbraw/zinc/01/74/60/722017460.db2.gz XLYFIXFONYBLIK-UHFFFAOYSA-N 1 0 379.464 2.300 20 0 GEADRO CCOc1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963181 722054804 /nfs/dbraw/zinc/05/48/04/722054804.db2.gz HXZKPRXPMJDIRJ-UHFFFAOYSA-N 1 0 383.496 2.389 20 0 GEADRO CCOC(=O)c1nc2ccccc2c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164965322 722068032 /nfs/dbraw/zinc/06/80/32/722068032.db2.gz JAFPEWOLBXQAJE-IYBDPMFKSA-N 1 0 382.464 2.106 20 0 GEADRO CCOC(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974735 722101648 /nfs/dbraw/zinc/10/16/48/722101648.db2.gz BPKLCQTYMKORST-QUCCMNQESA-N 1 0 396.491 2.381 20 0 GEADRO COC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164982699 722107947 /nfs/dbraw/zinc/10/79/47/722107947.db2.gz OBVJIWPRVRLMAB-AZUAARDMSA-N 1 0 396.491 2.299 20 0 GEADRO COC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164982712 722108025 /nfs/dbraw/zinc/10/80/25/722108025.db2.gz OBVJIWPRVRLMAB-UYAOXDASSA-N 1 0 396.491 2.299 20 0 GEADRO COC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001164983754 722108811 /nfs/dbraw/zinc/10/88/11/722108811.db2.gz ZUMFBMDIEUQDTP-UYAOXDASSA-N 1 0 396.491 2.299 20 0 GEADRO COCc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)n1 ZINC001164981138 722111655 /nfs/dbraw/zinc/11/16/55/722111655.db2.gz SXWAKTVNBPWXKC-ICSRJNTNSA-N 1 0 383.496 2.054 20 0 GEADRO Cc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCC2 ZINC001164982605 722134862 /nfs/dbraw/zinc/13/48/62/722134862.db2.gz RRUSWKLRVNEXDM-RXVVDRJESA-N 1 0 379.508 2.396 20 0 GEADRO c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nnc2c1 ZINC001164981741 722145714 /nfs/dbraw/zinc/14/57/14/722145714.db2.gz QFUINWWGXRGPEH-XLIONFOSSA-N 1 0 376.464 2.147 20 0 GEADRO Cc1cnc2c(ccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978912 722150101 /nfs/dbraw/zinc/15/01/01/722150101.db2.gz KSCJKTXAARKYHE-QUCCMNQESA-N 1 0 390.491 2.456 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc(-c3ccco3)cn1)CCC2 ZINC001164999573 722252650 /nfs/dbraw/zinc/25/26/50/722252650.db2.gz CKJLWBUXEPKEKY-UHFFFAOYSA-N 1 0 382.468 2.422 20 0 GEADRO COc1cccc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c21 ZINC001165004941 722256837 /nfs/dbraw/zinc/25/68/37/722256837.db2.gz YCDANPZPDNCWAT-UHFFFAOYSA-N 1 0 396.495 2.323 20 0 GEADRO CC1CC[NH+](CCCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000015731543 210165761 /nfs/dbraw/zinc/16/57/61/210165761.db2.gz IRZVHLPARSGSQB-UHFFFAOYSA-N 1 0 379.526 2.078 20 0 GEADRO O=S(=O)(NCCC[NH+]1CCCC1)c1ccc(I)cc1 ZINC000015042725 210145680 /nfs/dbraw/zinc/14/56/80/210145680.db2.gz LYFXQZJGPSVUSN-UHFFFAOYSA-N 1 0 394.278 2.055 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000528692082 531372526 /nfs/dbraw/zinc/37/25/26/531372526.db2.gz VAWMXVKXZREOBR-LLVKDONJSA-N 1 0 398.286 2.078 20 0 GEADRO Cc1ccc(Br)c(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000151555573 531510874 /nfs/dbraw/zinc/51/08/74/531510874.db2.gz DXBQWPHKYNIASA-INIZCTEOSA-N 1 0 396.329 2.430 20 0 GEADRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000151656866 531512014 /nfs/dbraw/zinc/51/20/14/531512014.db2.gz SPQPTDZJPWGKKM-UHFFFAOYSA-N 1 0 375.285 2.272 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000151651545 531512313 /nfs/dbraw/zinc/51/23/13/531512313.db2.gz GLQJVCSFPNPHBV-UHFFFAOYSA-N 1 0 394.368 2.439 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000151761724 531518471 /nfs/dbraw/zinc/51/84/71/531518471.db2.gz WPYSVSXFZFTNDQ-UHFFFAOYSA-N 1 0 376.320 2.087 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000151421996 531501104 /nfs/dbraw/zinc/50/11/04/531501104.db2.gz RXCUEAWKDVDQNV-OAHLLOKOSA-N 1 0 395.301 2.219 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151798811 531520319 /nfs/dbraw/zinc/52/03/19/531520319.db2.gz MLLBITAJELZYCW-ZYHUDNBSSA-N 1 0 380.286 2.437 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151945582 531524132 /nfs/dbraw/zinc/52/41/32/531524132.db2.gz HKRLRLXSHQAKKL-ZYHUDNBSSA-N 1 0 396.285 2.138 20 0 GEADRO CCC[NH+]1CCC(NC(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000151979845 531526469 /nfs/dbraw/zinc/52/64/69/531526469.db2.gz AOWHIWOSWUQWMQ-UHFFFAOYSA-N 1 0 396.289 2.286 20 0 GEADRO CN(CC(=O)NC[C@@H]([NH3+])c1ccccc1)C(=O)c1ccc(Br)s1 ZINC000152069657 531529992 /nfs/dbraw/zinc/52/99/92/531529992.db2.gz AMXUEYNXCDASMS-GFCCVEGCSA-N 1 0 396.310 2.399 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000152615392 531560372 /nfs/dbraw/zinc/56/03/72/531560372.db2.gz QGGFTFHGYQNADZ-MRXNPFEDSA-N 1 0 384.307 2.301 20 0 GEADRO Cc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c2cc(Br)ccc2n1 ZINC000152635055 531562899 /nfs/dbraw/zinc/56/28/99/531562899.db2.gz KHVDTPYPZDPNHG-KRWDZBQOSA-N 1 0 380.286 2.348 20 0 GEADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000153087108 531588666 /nfs/dbraw/zinc/58/86/66/531588666.db2.gz KTNVNSVMYVLECE-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO C[C@@H](Sc1nnc(N)s1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022738545 531592165 /nfs/dbraw/zinc/59/21/65/531592165.db2.gz BZIDRWCGVXLIGN-GFCCVEGCSA-N 1 0 377.539 2.382 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000153267593 531594921 /nfs/dbraw/zinc/59/49/21/531594921.db2.gz UFZHZPNFUMEFHX-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000153603249 531605941 /nfs/dbraw/zinc/60/59/41/531605941.db2.gz CSHVACHYLJVDTQ-CYBMUJFWSA-N 1 0 390.336 2.358 20 0 GEADRO CNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000024898978 531609398 /nfs/dbraw/zinc/60/93/98/531609398.db2.gz OESWQZUHNSOGLH-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1NS(C)(=O)=O ZINC000025816197 531615311 /nfs/dbraw/zinc/61/53/11/531615311.db2.gz NRMVDHOULDOAIO-MRXNPFEDSA-N 1 0 381.523 2.461 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000153928425 531612660 /nfs/dbraw/zinc/61/26/60/531612660.db2.gz RVNKHMDVXCQLFL-VXGBXAGGSA-N 1 0 383.290 2.019 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)C1 ZINC000153971841 531613981 /nfs/dbraw/zinc/61/39/81/531613981.db2.gz HUFVKAHGBAOFBN-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO CN(C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@@H]1CCC[N@H+](C)C1 ZINC000153981927 531617011 /nfs/dbraw/zinc/61/70/11/531617011.db2.gz ZRHOAZADZAWPHK-SNVBAGLBSA-N 1 0 384.263 2.142 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000153986326 531616663 /nfs/dbraw/zinc/61/66/63/531616663.db2.gz ZKBVSAOHXFEKNR-WFASDCNBSA-N 1 0 381.318 2.466 20 0 GEADRO [NH3+][C@H]1CCC[C@H](C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000154423764 531625061 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CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000042539259 531670105 /nfs/dbraw/zinc/67/01/05/531670105.db2.gz HWHBDXOIJTZQMG-CYBMUJFWSA-N 1 0 389.949 2.488 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)CNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000155040736 531652427 /nfs/dbraw/zinc/65/24/27/531652427.db2.gz HMSBRROSZYXTEQ-SWLSCSKDSA-N 1 0 382.302 2.120 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000041422948 531663128 /nfs/dbraw/zinc/66/31/28/531663128.db2.gz DJHIEMLGYOANFM-OAHLLOKOSA-N 1 0 385.917 2.227 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000043008304 531677079 /nfs/dbraw/zinc/67/70/79/531677079.db2.gz KDXVSRDHGLIGAV-UHFFFAOYSA-N 1 0 387.933 2.004 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000044560328 531682338 /nfs/dbraw/zinc/68/23/38/531682338.db2.gz FEMKNHPTXNZNHA-LLVKDONJSA-N 1 0 377.304 2.078 20 0 GEADRO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000155407035 531682991 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COc1ccc(Br)cc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000155892413 531704047 /nfs/dbraw/zinc/70/40/47/531704047.db2.gz BLWXLLRMSKQLAZ-AWEZNQCLSA-N 1 0 379.320 2.500 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+]C2(c3cccc(Br)c3)CCC2)nn1 ZINC000156245509 531722948 /nfs/dbraw/zinc/72/29/48/531722948.db2.gz DHFNXDQETNSAQO-UHFFFAOYSA-N 1 0 393.285 2.425 20 0 GEADRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc(S(N)(=O)=O)c1C ZINC000047530542 531714619 /nfs/dbraw/zinc/71/46/19/531714619.db2.gz CDHKJQRUXHQGHT-CQSZACIVSA-N 1 0 381.523 2.045 20 0 GEADRO C[NH+](C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000156168624 531719398 /nfs/dbraw/zinc/71/93/98/531719398.db2.gz QZHMDIBUHYERPS-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc(Br)c1=O ZINC000156191017 531721093 /nfs/dbraw/zinc/72/10/93/531721093.db2.gz NXWDHNSRDKTAEN-UHFFFAOYSA-N 1 0 397.273 2.337 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000047833038 531722207 /nfs/dbraw/zinc/72/22/07/531722207.db2.gz AMBMRBCQKCLZFY-HNNXBMFYSA-N 1 0 381.523 2.254 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000156225641 531722620 /nfs/dbraw/zinc/72/26/20/531722620.db2.gz BUQAAVMFOYIYTF-GHMZBOCLSA-N 1 0 378.270 2.490 20 0 GEADRO CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000047872396 531722627 /nfs/dbraw/zinc/72/26/27/531722627.db2.gz MKAZTDJWRSUEFA-OAHLLOKOSA-N 1 0 381.523 2.079 20 0 GEADRO C[C@@H](O)C[C@H]1COCCN1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000157494843 531744508 /nfs/dbraw/zinc/74/45/08/531744508.db2.gz LGINJQNRFZWXML-OCCSQVGLSA-N 1 0 375.296 2.424 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCCC[C@H]1CO ZINC000052871203 531753162 /nfs/dbraw/zinc/75/31/62/531753162.db2.gz MXWDICGJLXHGIH-HNNXBMFYSA-N 1 0 385.302 2.133 20 0 GEADRO CC(C)CN(C(=O)Cn1cc(Br)ccc1=O)C1CC[NH+](C)CC1 ZINC000053232229 531759000 /nfs/dbraw/zinc/75/90/00/531759000.db2.gz OJXBBXPNQFZORC-UHFFFAOYSA-N 1 0 384.318 2.190 20 0 GEADRO C[C@H](c1nc(-c2cccs2)no1)N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000158265482 531773395 /nfs/dbraw/zinc/77/33/95/531773395.db2.gz VWYJJGQGPZAFKD-PWSUYJOCSA-N 1 0 376.404 2.400 20 0 GEADRO CC(C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000054210892 531775907 /nfs/dbraw/zinc/77/59/07/531775907.db2.gz PIBGUGSEPATWDM-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1Br ZINC000158367812 531778102 /nfs/dbraw/zinc/77/81/02/531778102.db2.gz AIGDCFOSUIDZHL-AAEUAGOBSA-N 1 0 389.315 2.100 20 0 GEADRO O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056326960 531812214 /nfs/dbraw/zinc/81/22/14/531812214.db2.gz ACMXQGNNRCPGHD-KRWDZBQOSA-N 1 0 382.551 2.184 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057706374 531822143 /nfs/dbraw/zinc/82/21/43/531822143.db2.gz YERRVEYXBCBRMY-UWVGGRQHSA-N 1 0 388.331 2.228 20 0 GEADRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)nnn1-c1cccc(Br)c1 ZINC000057554743 531821170 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O=C(CCOc1ccccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061649130 531854739 /nfs/dbraw/zinc/85/47/39/531854739.db2.gz MJEFZAUJZOMFQY-UONOGXRCSA-N 1 0 383.286 2.197 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccc(Br)cn2)CC1)NC1CCCC1 ZINC000060468452 531842534 /nfs/dbraw/zinc/84/25/34/531842534.db2.gz AKUMKNAPJMGJFP-UHFFFAOYSA-N 1 0 381.318 2.415 20 0 GEADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000162348262 531842580 /nfs/dbraw/zinc/84/25/80/531842580.db2.gz IBQPSYHHQWACJK-OAHLLOKOSA-N 1 0 385.873 2.251 20 0 GEADRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000162495817 531843574 /nfs/dbraw/zinc/84/35/74/531843574.db2.gz JCJQSWTWZMBBPV-LLVKDONJSA-N 1 0 380.341 2.216 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000060566879 531844536 /nfs/dbraw/zinc/84/45/36/531844536.db2.gz AFTJELPMLMTRFN-OAHLLOKOSA-N 1 0 387.571 2.045 20 0 GEADRO O=C(Cc1cc[nH]n1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000162654925 531844896 /nfs/dbraw/zinc/84/48/96/531844896.db2.gz GNNVQPAQASCLHI-UHFFFAOYSA-N 1 0 377.286 2.496 20 0 GEADRO Cc1nc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccc1Br ZINC000162602054 531845520 /nfs/dbraw/zinc/84/55/20/531845520.db2.gz MIPLKCZHTDXYCL-LBPRGKRZSA-N 1 0 384.322 2.158 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cc(F)ccc1Br ZINC000162704294 531847613 /nfs/dbraw/zinc/84/76/13/531847613.db2.gz ANDUTKOKWFICGR-JTQLQIEISA-N 1 0 384.249 2.127 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000063734791 531860528 /nfs/dbraw/zinc/86/05/28/531860528.db2.gz CNIRJDXAVSCTOH-JTQLQIEISA-N 1 0 388.331 2.182 20 0 GEADRO CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)C1CC1 ZINC000064142354 531862879 /nfs/dbraw/zinc/86/28/79/531862879.db2.gz KKXBFTQMKTVUJT-UHFFFAOYSA-N 1 0 395.301 2.115 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163772538 531863246 /nfs/dbraw/zinc/86/32/46/531863246.db2.gz GIDWABSFFJGDLH-QWRGUYRKSA-N 1 0 377.304 2.063 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 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C[NH+](C)C1(CNC(=O)c2ccc(I)cc2)CCOCC1 ZINC000079306145 531921712 /nfs/dbraw/zinc/92/17/12/531921712.db2.gz GXNOKPDGCKJHIU-UHFFFAOYSA-N 1 0 388.249 2.132 20 0 GEADRO CC(C)[NH2+]C1CCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000171891491 531922247 /nfs/dbraw/zinc/92/22/47/531922247.db2.gz BNFQTKFYSVBDPR-UHFFFAOYSA-N 1 0 387.933 2.286 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1[nH]nc2ccc(Br)cc21 ZINC000171772774 531916604 /nfs/dbraw/zinc/91/66/04/531916604.db2.gz WOJRBUVJRDIJMV-UHFFFAOYSA-N 1 0 381.274 2.168 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000094031722 531930109 /nfs/dbraw/zinc/93/01/09/531930109.db2.gz RFQFGBUQZLXBDM-UHFFFAOYSA-N 1 0 380.290 2.485 20 0 GEADRO COc1ccc(CC[NH2+]Cc2cccc(Br)c2)cc1S(N)(=O)=O ZINC000094013702 531930130 /nfs/dbraw/zinc/93/01/30/531930130.db2.gz NADAXYOGXIYHHU-UHFFFAOYSA-N 1 0 399.310 2.437 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000093990651 531930228 /nfs/dbraw/zinc/93/02/28/531930228.db2.gz 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531962059 /nfs/dbraw/zinc/96/20/59/531962059.db2.gz DVLYPKNSCTWPHL-CYBMUJFWSA-N 1 0 382.448 2.434 20 0 GEADRO COC[C@H](C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000117912018 531962335 /nfs/dbraw/zinc/96/23/35/531962335.db2.gz USRLZICABDOCLX-ZDUSSCGKSA-N 1 0 393.347 2.177 20 0 GEADRO Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)c(C[NH+](C)C)c1 ZINC000113912717 531952249 /nfs/dbraw/zinc/95/22/49/531952249.db2.gz AISZWWUZXILEET-UHFFFAOYSA-N 1 0 381.523 2.425 20 0 GEADRO CNS(=O)(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000113940321 531953029 /nfs/dbraw/zinc/95/30/29/531953029.db2.gz VSGFKODIXCIPSR-UHFFFAOYSA-N 1 0 391.896 2.069 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2cc(Br)cs2)CCOCC1 ZINC000114021348 531954363 /nfs/dbraw/zinc/95/43/63/531954363.db2.gz DSXNBCJOWZWRHL-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000119285090 531965395 /nfs/dbraw/zinc/96/53/95/531965395.db2.gz HVHXPBPQICYKHF-YGRLFVJLSA-N 1 0 386.265 2.325 20 0 GEADRO 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/nfs/dbraw/zinc/98/23/73/531982373.db2.gz SFBPOBYQANOSBQ-CQSZACIVSA-N 1 0 396.329 2.288 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2cc(Cn3cc(Br)cn3)on2)C[N@@H+]1C1CC1 ZINC000120574692 531983619 /nfs/dbraw/zinc/98/36/19/531983619.db2.gz GIQBANVUFWSVIM-CMPLNLGQSA-N 1 0 394.273 2.037 20 0 GEADRO CCCN(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000120622272 531985394 /nfs/dbraw/zinc/98/53/94/531985394.db2.gz VOMIPLITAZFPAG-OAHLLOKOSA-N 1 0 379.448 2.456 20 0 GEADRO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000120623020 531986095 /nfs/dbraw/zinc/98/60/95/531986095.db2.gz UKBYDOXOZAVHRB-LSDHHAIUSA-N 1 0 399.329 2.379 20 0 GEADRO CCN(CC)c1ccc(CNC(=O)c2c[nH]c(=O)c(Br)c2)cn1 ZINC000173115558 531988689 /nfs/dbraw/zinc/98/86/89/531988689.db2.gz PUXRBHQPBSTXBH-UHFFFAOYSA-N 1 0 379.258 2.309 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000120694288 531990446 /nfs/dbraw/zinc/99/04/46/531990446.db2.gz BBXRGMBOOHRQSX-AAEUAGOBSA-N 1 0 398.301 2.337 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173230568 531997759 /nfs/dbraw/zinc/99/77/59/531997759.db2.gz SIAHVJDSWCAFDT-LBPRGKRZSA-N 1 0 386.279 2.113 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000173245959 531998094 /nfs/dbraw/zinc/99/80/94/531998094.db2.gz JXRVHJYMFOCCEE-LRDDRELGSA-N 1 0 377.913 2.428 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc(Br)c32)C[C@H]1C ZINC000120868055 532000113 /nfs/dbraw/zinc/00/01/13/532000113.db2.gz DTWZTUJISZIEQK-VXGBXAGGSA-N 1 0 380.286 2.458 20 0 GEADRO C[C@@H](CNC(=O)CCn1cc(Br)ccc1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000120908356 532001757 /nfs/dbraw/zinc/00/17/57/532001757.db2.gz ZJGMIXRFFYZLAP-KGLIPLIRSA-N 1 0 384.318 2.238 20 0 GEADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173307568 532003305 /nfs/dbraw/zinc/00/33/05/532003305.db2.gz RXDIKRKAPPTSKH-UHFFFAOYSA-N 1 0 378.270 2.341 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)COc1ccccc1Br ZINC000121034148 532009831 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CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000173598850 532023398 /nfs/dbraw/zinc/02/33/98/532023398.db2.gz HDBIDQGLCDMXRG-NSHDSACASA-N 1 0 375.254 2.423 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2OC)C1 ZINC000173738990 532028774 /nfs/dbraw/zinc/02/87/74/532028774.db2.gz FUKUBJIIWMMQAO-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000173757803 532031294 /nfs/dbraw/zinc/03/12/94/532031294.db2.gz JPEVRZQNYOOVJH-CYBMUJFWSA-N 1 0 385.302 2.443 20 0 GEADRO C[NH2+]CCCNC(=O)c1cccn1-c1cccc(I)c1 ZINC000121514344 532031854 /nfs/dbraw/zinc/03/18/54/532031854.db2.gz VYYZAPOPCOIODA-UHFFFAOYSA-N 1 0 383.233 2.421 20 0 GEADRO OC1(C(F)(F)F)CCN(CCC[NH+]2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000121517424 532032386 /nfs/dbraw/zinc/03/23/86/532032386.db2.gz YDOJNIKOIRECIH-UHFFFAOYSA-N 1 0 378.357 2.155 20 0 GEADRO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000121651063 532040211 /nfs/dbraw/zinc/04/02/11/532040211.db2.gz QDSOEMNWCQQDGX-UHFFFAOYSA-N 1 0 394.324 2.288 20 0 GEADRO COc1sc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1Br ZINC000121645287 532040730 /nfs/dbraw/zinc/04/07/30/532040730.db2.gz ALOVMQCWQQSZOY-ZDUSSCGKSA-N 1 0 389.315 2.389 20 0 GEADRO C[N@H+](CCCc1nc(-c2cccs2)no1)C1CCN(S(C)(=O)=O)CC1 ZINC000121729974 532043107 /nfs/dbraw/zinc/04/31/07/532043107.db2.gz RPDYZNBIRVIWJH-UHFFFAOYSA-N 1 0 384.527 2.087 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000121723501 532043149 /nfs/dbraw/zinc/04/31/49/532043149.db2.gz GIMZBURANPGYHH-TZMCWYRMSA-N 1 0 384.523 2.172 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cccnc1Br ZINC000121714677 532043611 /nfs/dbraw/zinc/04/36/11/532043611.db2.gz DJKMIHVCGADXCJ-UHFFFAOYSA-N 1 0 385.306 2.363 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)C1 ZINC000173954148 532044127 /nfs/dbraw/zinc/04/41/27/532044127.db2.gz FOUOUFICAJHNPK-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)C1 ZINC000174023419 532046458 /nfs/dbraw/zinc/04/64/58/532046458.db2.gz SMOBBZMORZOFDD-LBPRGKRZSA-N 1 0 391.331 2.420 20 0 GEADRO Cc1cc(S(=O)(=O)NCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)s1 ZINC000121825019 532048231 /nfs/dbraw/zinc/04/82/31/532048231.db2.gz NFGPRUNJOGMXHF-CQSZACIVSA-N 1 0 387.571 2.024 20 0 GEADRO Cc1cc(S(=O)(=O)NCCNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c(C)s1 ZINC000121818796 532048981 /nfs/dbraw/zinc/04/89/81/532048981.db2.gz WLUBEAYXELNNEF-MBNYWOFBSA-N 1 0 387.571 2.021 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(OC)ccc2Br)CC1 ZINC000122131088 532058738 /nfs/dbraw/zinc/05/87/38/532058738.db2.gz MTPDJXREPBLEQA-CQSZACIVSA-N 1 0 398.345 2.461 20 0 GEADRO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000122258657 532062774 /nfs/dbraw/zinc/06/27/74/532062774.db2.gz IVPDLXZQLDOZBI-GFCCVEGCSA-N 1 0 397.317 2.409 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccc(CO)o2)c1 ZINC000174373817 532062923 /nfs/dbraw/zinc/06/29/23/532062923.db2.gz RYBWFOGHKMZXBH-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/07/12/01/532071201.db2.gz JVDOHXDOGUORDW-UHFFFAOYSA-N 1 0 390.228 2.268 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC1 ZINC000122508573 532072971 /nfs/dbraw/zinc/07/29/71/532072971.db2.gz SNTUJFOVBANWTK-BBRMVZONSA-N 1 0 394.313 2.258 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000122513266 532072456 /nfs/dbraw/zinc/07/24/56/532072456.db2.gz KIQRCWCPNYBGJE-CVEARBPZSA-N 1 0 394.313 2.258 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)NC(c2cccs2)c2cccs2)CC1=O ZINC000174735103 532075453 /nfs/dbraw/zinc/07/54/53/532075453.db2.gz VTHHCVHVDGCNSE-ZDUSSCGKSA-N 1 0 377.535 2.425 20 0 GEADRO Cc1cc(NC(=O)CN(C)CCC[NH+]2CCN(C)CC2)ccc1Br ZINC000174713191 532074097 /nfs/dbraw/zinc/07/40/97/532074097.db2.gz ZUAFNUXSJPQCEJ-UHFFFAOYSA-N 1 0 397.361 2.265 20 0 GEADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cn1cc(Br)ccc1=O)C2 ZINC000175004802 532087068 /nfs/dbraw/zinc/08/70/68/532087068.db2.gz JDYYHDKWICCWRA-LSDHHAIUSA-N 1 0 382.302 2.085 20 0 GEADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000123039520 532090921 /nfs/dbraw/zinc/09/09/21/532090921.db2.gz SRTUPNSLIUCBFF-OAHLLOKOSA-N 1 0 381.519 2.183 20 0 GEADRO COc1cc(C[NH2+][C@@H](C)[C@@H](C)CO)cc(I)c1OC ZINC000123169498 532094170 /nfs/dbraw/zinc/09/41/70/532094170.db2.gz MZWRUCQKPBFXIP-UWVGGRQHSA-N 1 0 379.238 2.415 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(Br)cc1 ZINC000175424599 532102905 /nfs/dbraw/zinc/10/29/05/532102905.db2.gz CXSCOQLQOHIRSO-HNNXBMFYSA-N 1 0 382.302 2.227 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])C2)c(Br)c1 ZINC000123599751 532103483 /nfs/dbraw/zinc/10/34/83/532103483.db2.gz DKIRHJDSTUZBAB-QMMMGPOBSA-N 1 0 398.120 2.242 20 0 GEADRO C[NH+](C)[C@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000175664648 532110819 /nfs/dbraw/zinc/11/08/19/532110819.db2.gz XKPCTSMDFLVJBD-AWEZNQCLSA-N 1 0 375.332 2.249 20 0 GEADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[NH+](C2CCOCC2)CC1 ZINC000175862810 532117169 /nfs/dbraw/zinc/11/71/69/532117169.db2.gz YKDSOVYEUMTFHC-UHFFFAOYSA-N 1 0 397.269 2.115 20 0 GEADRO O=C(NCc1cc(Br)cs1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175877836 532117984 /nfs/dbraw/zinc/11/79/84/532117984.db2.gz NBFYWJKAYUGLDQ-LBPRGKRZSA-N 1 0 388.331 2.374 20 0 GEADRO C[NH+]1CCN(CCNC(=O)CCc2cc(Cl)ccc2Br)CC1 ZINC000175976112 532120961 /nfs/dbraw/zinc/12/09/61/532120961.db2.gz CGGFCFRBSILNNS-UHFFFAOYSA-N 1 0 388.737 2.399 20 0 GEADRO CC(C)[C@@H](CNC(=O)Cc1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000124440092 532122351 /nfs/dbraw/zinc/12/23/51/532122351.db2.gz VRHODOHIBAQZGK-QGZVFWFLSA-N 1 0 382.346 2.380 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000176013203 532122787 /nfs/dbraw/zinc/12/27/87/532122787.db2.gz WIGUWDGWRKBLDX-UHFFFAOYSA-N 1 0 378.270 2.362 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000176051700 532123801 /nfs/dbraw/zinc/12/38/01/532123801.db2.gz YHSSQEONCCCEKQ-BBRMVZONSA-N 1 0 387.933 2.095 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000124547227 532123928 /nfs/dbraw/zinc/12/39/28/532123928.db2.gz CDCPKPIEJBONOU-GWCFXTLKSA-N 1 0 377.869 2.233 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1c(F)cccc1Br)C[NH+]1CCCC1 ZINC000176079593 532124866 /nfs/dbraw/zinc/12/48/66/532124866.db2.gz DEMGSJKJPUEEGQ-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)CCc2cc(Br)ccc2F)CC1 ZINC000124101528 532114369 /nfs/dbraw/zinc/11/43/69/532114369.db2.gz HBTCZJYFXRZTCU-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000124145252 532114642 /nfs/dbraw/zinc/11/46/42/532114642.db2.gz NMYCTNGAGSAKQI-DZGCQCFKSA-N 1 0 385.302 2.398 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Br ZINC000124096649 532114862 /nfs/dbraw/zinc/11/48/62/532114862.db2.gz YVVOUOGIQYFUTJ-GHMZBOCLSA-N 1 0 389.315 2.361 20 0 GEADRO COc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)ccc1Br ZINC000175821866 532115988 /nfs/dbraw/zinc/11/59/88/532115988.db2.gz SUHVXTSMOWTSJW-UHFFFAOYSA-N 1 0 398.301 2.388 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000124590887 532125212 /nfs/dbraw/zinc/12/52/12/532125212.db2.gz VPAULCZGLPWMBD-GWCFXTLKSA-N 1 0 394.278 2.087 20 0 GEADRO CCOCC[NH+]1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000124595178 532125588 /nfs/dbraw/zinc/12/55/88/532125588.db2.gz VKQDIUAKNSOCMS-UHFFFAOYSA-N 1 0 384.318 2.432 20 0 GEADRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(Cl)ncc3Cl)cn2)CC1 ZINC000124819589 532129430 /nfs/dbraw/zinc/12/94/30/532129430.db2.gz LWNLVESTRMOXGM-UHFFFAOYSA-N 1 0 380.279 2.465 20 0 GEADRO C[NH+](C)CC(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000176203677 532129449 /nfs/dbraw/zinc/12/94/49/532129449.db2.gz XNKNIQBAWCFJML-UHFFFAOYSA-N 1 0 388.249 2.223 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176244558 532131538 /nfs/dbraw/zinc/13/15/38/532131538.db2.gz BGFCNWKUNYRLSB-INIZCTEOSA-N 1 0 396.329 2.355 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2nc(C(F)(F)F)cs2)C[C@@H](C)O1 ZINC000125224999 532133791 /nfs/dbraw/zinc/13/37/91/532133791.db2.gz KSQZNEFCJCNMCN-GHMZBOCLSA-N 1 0 380.436 2.460 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000176407971 532136055 /nfs/dbraw/zinc/13/60/55/532136055.db2.gz JIRNEGWFIFUALC-GFCCVEGCSA-N 1 0 398.248 2.105 20 0 GEADRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000126771761 532150496 /nfs/dbraw/zinc/15/04/96/532150496.db2.gz PXZSKQYPKWBGPZ-LBPRGKRZSA-N 1 0 390.299 2.277 20 0 GEADRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(I)cc2)CC1 ZINC000125745139 532141849 /nfs/dbraw/zinc/14/18/49/532141849.db2.gz SAXMHDZTQNHPJN-LBPRGKRZSA-N 1 0 387.265 2.256 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000176624517 532144044 /nfs/dbraw/zinc/14/40/44/532144044.db2.gz LZQSWMQSCCLZCD-KRWDZBQOSA-N 1 0 385.961 2.129 20 0 GEADRO CS(=O)(=O)CC1(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000176685386 532145585 /nfs/dbraw/zinc/14/55/85/532145585.db2.gz CJXHFJRBYXSIGC-UHFFFAOYSA-N 1 0 384.567 2.291 20 0 GEADRO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(Br)cc1 ZINC000126292347 532147814 /nfs/dbraw/zinc/14/78/14/532147814.db2.gz IOECKNXKEAMUHV-ZFWWWQNUSA-N 1 0 393.260 2.378 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1c(C)nn(C)c1C ZINC000176781566 532149233 /nfs/dbraw/zinc/14/92/33/532149233.db2.gz HQKXYCPUHNUFBC-UHFFFAOYSA-N 1 0 384.468 2.322 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Br)c(C)[nH]c1=O ZINC000126498988 532149276 /nfs/dbraw/zinc/14/92/76/532149276.db2.gz UMONBUWGZRDLRT-UHFFFAOYSA-N 1 0 388.306 2.289 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177258769 532166723 /nfs/dbraw/zinc/16/67/23/532166723.db2.gz YWUIJKJNDYABQE-UHFFFAOYSA-N 1 0 385.555 2.231 20 0 GEADRO Cn1cncc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000177260007 532166736 /nfs/dbraw/zinc/16/67/36/532166736.db2.gz HOJGERHJXTYZPA-UHFFFAOYSA-N 1 0 378.274 2.428 20 0 GEADRO CC[NH+]1CCN(CCC(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000177270716 532167894 /nfs/dbraw/zinc/16/78/94/532167894.db2.gz NGOMKXJETIOBKM-OAHLLOKOSA-N 1 0 398.345 2.360 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000127712589 532157008 /nfs/dbraw/zinc/15/70/08/532157008.db2.gz UBTSKFPSBXBDOS-UHFFFAOYSA-N 1 0 390.297 2.398 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1Br ZINC000176974811 532157996 /nfs/dbraw/zinc/15/79/96/532157996.db2.gz UWVPCPZGSLPDBQ-UHFFFAOYSA-N 1 0 398.282 2.498 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NCC[NH+]2CCCC2)c1 ZINC000177024101 532159439 /nfs/dbraw/zinc/15/94/39/532159439.db2.gz AIOPXWSDDOGZOU-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000127929564 532159605 /nfs/dbraw/zinc/15/96/05/532159605.db2.gz DIOAKZAQDPDULK-GFCCVEGCSA-N 1 0 375.270 2.215 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000177023852 532159695 /nfs/dbraw/zinc/15/96/95/532159695.db2.gz FPTUZKGEAQCYLT-CYBMUJFWSA-N 1 0 398.301 2.305 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000128196758 532162546 /nfs/dbraw/zinc/16/25/46/532162546.db2.gz BOCKQVRAAUEFSO-MRXNPFEDSA-N 1 0 384.318 2.093 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC(C)(C)O ZINC000177731133 532181649 /nfs/dbraw/zinc/18/16/49/532181649.db2.gz FHYXINHLCIIHJN-SNVBAGLBSA-N 1 0 376.238 2.321 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000129668077 532182107 /nfs/dbraw/zinc/18/21/07/532182107.db2.gz KMIJPMZQUWARFM-UHFFFAOYSA-N 1 0 392.301 2.444 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000177771077 532182371 /nfs/dbraw/zinc/18/23/71/532182371.db2.gz FNJOCOWVHGIGDE-MYYSRTQBSA-N 1 0 380.535 2.194 20 0 GEADRO CC[N@H+](CCCS(=O)(=O)N(C)C)CCOc1ccc(Br)cc1 ZINC000129711143 532182677 /nfs/dbraw/zinc/18/26/77/532182677.db2.gz BROATQCJLHNOIX-UHFFFAOYSA-N 1 0 393.347 2.431 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000129819175 532185246 /nfs/dbraw/zinc/18/52/46/532185246.db2.gz NITYNYOMOOLQOY-CYBMUJFWSA-N 1 0 387.933 2.098 20 0 GEADRO O=C(NCc1ccccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000177446631 532171783 /nfs/dbraw/zinc/17/17/83/532171783.db2.gz XARRXBJQWBRPJF-UHFFFAOYSA-N 1 0 382.302 2.455 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129115283 532173072 /nfs/dbraw/zinc/17/30/72/532173072.db2.gz SJCKGTBLJKJDSY-LSDHHAIUSA-N 1 0 396.329 2.430 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000130442861 532192352 /nfs/dbraw/zinc/19/23/52/532192352.db2.gz SUTBFSGBTKYFET-CZUORRHYSA-N 1 0 396.329 2.462 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178079535 532192510 /nfs/dbraw/zinc/19/25/10/532192510.db2.gz YFGYXBOZRCYZMV-HUUCEWRRSA-N 1 0 397.313 2.397 20 0 GEADRO O=C(/C=C/c1c(Cl)nc2sccn12)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178121096 532193800 /nfs/dbraw/zinc/19/38/00/532193800.db2.gz GVUCIKSXBQUIMA-ZIYVKSGCSA-N 1 0 380.901 2.243 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000178415648 532201007 /nfs/dbraw/zinc/20/10/07/532201007.db2.gz DGSVKSVMFFTGSJ-UHFFFAOYSA-N 1 0 398.276 2.079 20 0 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CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000182582832 532315253 /nfs/dbraw/zinc/31/52/53/532315253.db2.gz DEINWZFILVATCF-LBPRGKRZSA-N 1 0 382.302 2.227 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+]CCCN2CCN(c3ccccc3Cl)CC2)C1 ZINC000182611532 532315412 /nfs/dbraw/zinc/31/54/12/532315412.db2.gz HOZZDKYLRFEFQJ-MRXNPFEDSA-N 1 0 385.961 2.019 20 0 GEADRO O=S(=O)(NC1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1)c1cccs1 ZINC000182665288 532316395 /nfs/dbraw/zinc/31/63/95/532316395.db2.gz TYQXMAJOSMROIJ-AEFFLSMTSA-N 1 0 378.519 2.149 20 0 GEADRO O=S(=O)(NC1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1)c1cccs1 ZINC000182665239 532316487 /nfs/dbraw/zinc/31/64/87/532316487.db2.gz TYQXMAJOSMROIJ-FUHWJXTLSA-N 1 0 378.519 2.149 20 0 GEADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC[N@@H+]1C ZINC000182961925 532320212 /nfs/dbraw/zinc/32/02/12/532320212.db2.gz ZKKVECNAGRPQAG-NEPJUHHUSA-N 1 0 381.420 2.126 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1cccc(S(N)(=O)=O)c1 ZINC000183020496 532321266 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CSc1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1Cl ZINC000185688912 532338454 /nfs/dbraw/zinc/33/84/54/532338454.db2.gz GTUSMLNNEMSBJF-UHFFFAOYSA-N 1 0 378.947 2.187 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]CC(=O)NCC1CC1 ZINC000185892042 532339017 /nfs/dbraw/zinc/33/90/17/532339017.db2.gz IQIFGQWQTOYHMY-UHFFFAOYSA-N 1 0 391.107 2.410 20 0 GEADRO CN(C)[C@@H](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1cccs1 ZINC000186056696 532339683 /nfs/dbraw/zinc/33/96/83/532339683.db2.gz PPOSCVJBNSOGRL-NSHDSACASA-N 1 0 382.433 2.088 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1=CC[NH2+]CC1 ZINC000186340945 532340594 /nfs/dbraw/zinc/34/05/94/532340594.db2.gz VRFYSPHYQXXCAP-INIZCTEOSA-N 1 0 381.929 2.227 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000186628612 532341521 /nfs/dbraw/zinc/34/15/21/532341521.db2.gz MFIFQJLQLPLBEA-CHWSQXEVSA-N 1 0 378.489 2.183 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000186709875 532341750 /nfs/dbraw/zinc/34/17/50/532341750.db2.gz SVWKKQBSQLZFPN-JMCQJSRRSA-N 1 0 380.176 2.297 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cc(Cl)ccc1Cl ZINC000186780475 532341903 /nfs/dbraw/zinc/34/19/03/532341903.db2.gz DCXOSKVDRNYVCC-JTQLQIEISA-N 1 0 377.297 2.356 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000186797198 532342048 /nfs/dbraw/zinc/34/20/48/532342048.db2.gz HJZZMSRZRZRCFS-AAEUAGOBSA-N 1 0 399.563 2.016 20 0 GEADRO COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1I ZINC000186811558 532342100 /nfs/dbraw/zinc/34/21/00/532342100.db2.gz WGBJXOHJPCNEQJ-UHFFFAOYSA-N 1 0 388.249 2.466 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000186857891 532342324 /nfs/dbraw/zinc/34/23/24/532342324.db2.gz WOZOYNRXQFDKBF-RCBQFDQVSA-N 1 0 394.313 2.168 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1ccccc1Br ZINC000186879810 532342397 /nfs/dbraw/zinc/34/23/97/532342397.db2.gz UZYMFZWCEWTIGO-ZDUSSCGKSA-N 1 0 385.302 2.132 20 0 GEADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@@H]12 ZINC000186938072 532342676 /nfs/dbraw/zinc/34/26/76/532342676.db2.gz TVBUAHJQAMIHLW-DFBGVHRSSA-N 1 0 375.270 2.444 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000186971874 532342860 /nfs/dbraw/zinc/34/28/60/532342860.db2.gz OZUQSEIAUWZURS-SWLSCSKDSA-N 1 0 397.313 2.229 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000186962250 532342897 /nfs/dbraw/zinc/34/28/97/532342897.db2.gz ZWMKKKBRYWTXSQ-ITKZLYELSA-N 1 0 382.917 2.366 20 0 GEADRO COc1c(Br)cccc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000187113687 532343237 /nfs/dbraw/zinc/34/32/37/532343237.db2.gz MNMOEYJKGLSOHZ-UHFFFAOYSA-N 1 0 399.310 2.437 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000183656171 532327319 /nfs/dbraw/zinc/32/73/19/532327319.db2.gz LOKRRQXEHFVZOA-JTQLQIEISA-N 1 0 395.294 2.217 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183706986 532327827 /nfs/dbraw/zinc/32/78/27/532327827.db2.gz GJTVKWUYPKNNKW-NSHDSACASA-N 1 0 396.285 2.194 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000187211135 532343494 /nfs/dbraw/zinc/34/34/94/532343494.db2.gz WAXZXSKNTKHSMJ-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000184329400 532331867 /nfs/dbraw/zinc/33/18/67/532331867.db2.gz YFWFQZPUNSSWKY-CABCVRRESA-N 1 0 398.345 2.359 20 0 GEADRO O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000184345532 532332231 /nfs/dbraw/zinc/33/22/31/532332231.db2.gz ZQEJRCRBQVXCQM-CYBMUJFWSA-N 1 0 380.436 2.084 20 0 GEADRO C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000184642308 532334110 /nfs/dbraw/zinc/33/41/10/532334110.db2.gz SFXGRTDFJYECJA-MJBXVCDLSA-N 1 0 386.480 2.478 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000184669103 532334391 /nfs/dbraw/zinc/33/43/91/532334391.db2.gz IBSNLCFAFUTDDM-NSHDSACASA-N 1 0 398.301 2.304 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc(C)c(Cl)s3)C2)CC1 ZINC000187863078 532345876 /nfs/dbraw/zinc/34/58/76/532345876.db2.gz JBDJFHWQKXWDNW-ZDUSSCGKSA-N 1 0 377.963 2.110 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000187853317 532345951 /nfs/dbraw/zinc/34/59/51/532345951.db2.gz KVPCVSBQMOGJME-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000188069435 532346502 /nfs/dbraw/zinc/34/65/02/532346502.db2.gz FTUFRMHUGRKCPO-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000188223705 532347470 /nfs/dbraw/zinc/34/74/70/532347470.db2.gz YYIMKQOPTHLNIN-ZDUSSCGKSA-N 1 0 376.906 2.381 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000188321421 532347758 /nfs/dbraw/zinc/34/77/58/532347758.db2.gz HOYRLWDSHLVFQN-SWLSCSKDSA-N 1 0 375.332 2.394 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CC[NH2+][C@H](C)C3)[nH]c(=O)c2c1C ZINC000188377592 532347975 /nfs/dbraw/zinc/34/79/75/532347975.db2.gz LKHFFPHFENPSEG-SKDRFNHKSA-N 1 0 380.539 2.043 20 0 GEADRO COc1cc(Br)c(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1OC ZINC000188421292 532348031 /nfs/dbraw/zinc/34/80/31/532348031.db2.gz MASFDMDMVUKORG-UHFFFAOYSA-N 1 0 381.230 2.087 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000188419126 532348104 /nfs/dbraw/zinc/34/81/04/532348104.db2.gz GCPIWEZKUSRVEP-GFCCVEGCSA-N 1 0 375.332 2.251 20 0 GEADRO CCn1c(SCC(=O)N2CC[NH+]3CCC2CC3)nnc1-c1cccs1 ZINC000188631244 532348935 /nfs/dbraw/zinc/34/89/35/532348935.db2.gz HTEZUSABEVDYAV-UHFFFAOYSA-N 1 0 377.539 2.425 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC[N@H+](CC)C2CC2)cc1Br ZINC000188752472 532349513 /nfs/dbraw/zinc/34/95/13/532349513.db2.gz DWFRIHZKAPPPRV-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188761765 532349553 /nfs/dbraw/zinc/34/95/53/532349553.db2.gz ZKPIRCGJHYDEHI-LAJNKCICSA-N 1 0 375.332 2.142 20 0 GEADRO Brc1ccc(C[NH2+]CCCn2ccnn2)c(N2CCOCC2)c1 ZINC000188761694 532349585 /nfs/dbraw/zinc/34/95/85/532349585.db2.gz PCIRMYOUVBIPQS-UHFFFAOYSA-N 1 0 380.290 2.057 20 0 GEADRO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[NH+]2CCC1CC2 ZINC000188862967 532349886 /nfs/dbraw/zinc/34/98/86/532349886.db2.gz UFYLWFQIAPCTSN-INIZCTEOSA-N 1 0 392.297 2.109 20 0 GEADRO Cc1c(C(=O)N2CC[NH+]3CCC2CC3)nnn1-c1cccc(Br)c1 ZINC000188851065 532349888 /nfs/dbraw/zinc/34/98/88/532349888.db2.gz FLLSSTYJDKVBKL-UHFFFAOYSA-N 1 0 390.285 2.258 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000191351999 532360672 /nfs/dbraw/zinc/36/06/72/532360672.db2.gz JXJIASXPDSWBOP-OAHLLOKOSA-N 1 0 395.345 2.395 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)Nc3ccsc3Cl)CC2)CC1 ZINC000189238000 532351471 /nfs/dbraw/zinc/35/14/71/532351471.db2.gz NPDNTAVDQDWYQY-UHFFFAOYSA-N 1 0 384.933 2.015 20 0 GEADRO Cc1ccc(I)c(C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000189409043 532352162 /nfs/dbraw/zinc/35/21/62/532352162.db2.gz LGBVELISCLSABD-UHFFFAOYSA-N 1 0 388.249 2.052 20 0 GEADRO C[C@@H](NS(=O)(=O)CC[NH+]1CCCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000189441751 532352234 /nfs/dbraw/zinc/35/22/34/532352234.db2.gz VJQHNJKFEHLBNO-GFCCVEGCSA-N 1 0 384.889 2.466 20 0 GEADRO C[N@@H+](Cc1cc(Br)c(Cl)s1)C[C@@H](O)CN1CCOCC1 ZINC000191387700 532360701 /nfs/dbraw/zinc/36/07/01/532360701.db2.gz DBWCCPFZABEBOL-SNVBAGLBSA-N 1 0 383.739 2.289 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)no2)[C@H](C)C1 ZINC000189547580 532352656 /nfs/dbraw/zinc/35/26/56/532352656.db2.gz KTRCYOZSFLDRGR-CHWSQXEVSA-N 1 0 395.301 2.386 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccsc3Cl)CC2)c1 ZINC000189540864 532352663 /nfs/dbraw/zinc/35/26/63/532352663.db2.gz VOMQVAYIAAUCKC-UHFFFAOYSA-N 1 0 380.857 2.092 20 0 GEADRO CCc1nc([C@@H](C)NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)cs1 ZINC000189610196 532353042 /nfs/dbraw/zinc/35/30/42/532353042.db2.gz STMCNZNKMOTSKT-LLVKDONJSA-N 1 0 385.559 2.120 20 0 GEADRO Cc1c([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cnn1C(C)(C)C ZINC000191390817 532360724 /nfs/dbraw/zinc/36/07/24/532360724.db2.gz VDJFRBRPTSSCEU-GXTWGEPZSA-N 1 0 385.555 2.493 20 0 GEADRO Cc1cccc(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1Br ZINC000189773995 532353574 /nfs/dbraw/zinc/35/35/74/532353574.db2.gz UASJOEGTOAQGMG-AWEZNQCLSA-N 1 0 397.361 2.440 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189948627 532354247 /nfs/dbraw/zinc/35/42/47/532354247.db2.gz XDNNGCFATJAUMF-CQSZACIVSA-N 1 0 398.345 2.473 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000189978327 532354417 /nfs/dbraw/zinc/35/44/17/532354417.db2.gz KXCPCHQDRNFYCT-ZJUUUORDSA-N 1 0 384.274 2.485 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000190012086 532354454 /nfs/dbraw/zinc/35/44/54/532354454.db2.gz JTBQWPWRZNSZIC-UHFFFAOYSA-N 1 0 397.310 2.143 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000190109174 532354984 /nfs/dbraw/zinc/35/49/84/532354984.db2.gz TTYRAHIHUFSXSH-CMPLNLGQSA-N 1 0 384.249 2.222 20 0 GEADRO CCc1cnc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000190324294 532355575 /nfs/dbraw/zinc/35/55/75/532355575.db2.gz OSNKPZBMFQHYNL-UHFFFAOYSA-N 1 0 382.555 2.122 20 0 GEADRO COC(=O)CNC(=O)CC[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000190361999 532355650 /nfs/dbraw/zinc/35/56/50/532355650.db2.gz NAAYMZDZGLBYPU-LLVKDONJSA-N 1 0 377.268 2.372 20 0 GEADRO C[C@H](CNC(=O)C1(c2ccccc2Br)CC1)N1CC[NH+](C)CC1 ZINC000190500623 532356473 /nfs/dbraw/zinc/35/64/73/532356473.db2.gz HXQMMPDGRAERGD-CQSZACIVSA-N 1 0 380.330 2.233 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)ccc1OC ZINC000190568910 532356809 /nfs/dbraw/zinc/35/68/09/532356809.db2.gz SASCJWLMRRPXCX-UHFFFAOYSA-N 1 0 379.320 2.420 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000190748171 532357732 /nfs/dbraw/zinc/35/77/32/532357732.db2.gz DLHMDFUZCNYJRP-UHFFFAOYSA-N 1 0 384.318 2.261 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000190909944 532358710 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CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCOc2ccc(Br)cc2)C1(C)C ZINC000187554589 532344866 /nfs/dbraw/zinc/34/48/66/532344866.db2.gz SXMYXWYBJMZRJB-RHSMWYFYSA-N 1 0 385.302 2.477 20 0 GEADRO C[C@H]1CN(Cc2cc3c(cc2Br)OCCCO3)CC[N@@H+]1CCO ZINC000187701887 532345094 /nfs/dbraw/zinc/34/50/94/532345094.db2.gz WLPLDRHANYNUMP-ZDUSSCGKSA-N 1 0 385.302 2.109 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000187734566 532345248 /nfs/dbraw/zinc/34/52/48/532345248.db2.gz NSYRKGZUDNURFW-UHFFFAOYSA-N 1 0 398.301 2.257 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000278035350 532372083 /nfs/dbraw/zinc/37/20/83/532372083.db2.gz HQEWMYMHOHSRPO-LBPRGKRZSA-N 1 0 391.269 2.146 20 0 GEADRO C[N@H+](CCc1cccc(Br)c1)CC(=O)NC(=O)NCC(F)(F)F ZINC000463429464 532373055 /nfs/dbraw/zinc/37/30/55/532373055.db2.gz PYBYQWHIAILJLT-UHFFFAOYSA-N 1 0 396.207 2.312 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264212 532373184 /nfs/dbraw/zinc/37/31/84/532373184.db2.gz 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ZINC000558426444 532390340 /nfs/dbraw/zinc/39/03/40/532390340.db2.gz DJLZQNIRCWRCLF-UKRRQHHQSA-N 1 0 380.432 2.320 20 0 GEADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)c1cncc(Cl)c1 ZINC000372402594 532390829 /nfs/dbraw/zinc/39/08/29/532390829.db2.gz CBJWWVKZPHOFQY-YOEHRIQHSA-N 1 0 380.901 2.444 20 0 GEADRO [NH3+]CC1(CC(=O)NCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000516773868 532390864 /nfs/dbraw/zinc/39/08/64/532390864.db2.gz BCIXAKRIKLOHTK-UHFFFAOYSA-N 1 0 382.302 2.031 20 0 GEADRO Cc1c(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)nnn1-c1cccc(Br)c1 ZINC000372435475 532392149 /nfs/dbraw/zinc/39/21/49/532392149.db2.gz FAGKKENVQZZXKV-ZSOGYDGISA-N 1 0 390.285 2.433 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000372509252 532393131 /nfs/dbraw/zinc/39/31/31/532393131.db2.gz ZKDHAKYXFOFGMA-UHFFFAOYSA-N 1 0 388.295 2.237 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000294973924 532393708 /nfs/dbraw/zinc/39/37/08/532393708.db2.gz GAWZWAPFOUMDEM-QWHCGFSZSA-N 1 0 375.922 2.283 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425764950 532393938 /nfs/dbraw/zinc/39/39/38/532393938.db2.gz GIMAVEOZMUOLCJ-NSHDSACASA-N 1 0 375.803 2.433 20 0 GEADRO C[C@]1(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CCC[NH2+]C1 ZINC000516929716 532397506 /nfs/dbraw/zinc/39/75/06/532397506.db2.gz LUPADVPLNIELTM-SFHVURJKSA-N 1 0 380.330 2.483 20 0 GEADRO COc1cc(OC)c([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1Cl ZINC000678580320 532397790 /nfs/dbraw/zinc/39/77/90/532397790.db2.gz HLBQMNFPHFKPGH-LBPRGKRZSA-N 1 0 376.906 2.433 20 0 GEADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000591084712 532398293 /nfs/dbraw/zinc/39/82/93/532398293.db2.gz CQFGLRYQWCOIMB-UHFFFAOYSA-N 1 0 385.917 2.187 20 0 GEADRO COc1cc(OC)c([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1Cl ZINC000678580319 532398369 /nfs/dbraw/zinc/39/83/69/532398369.db2.gz HLBQMNFPHFKPGH-GFCCVEGCSA-N 1 0 376.906 2.433 20 0 GEADRO CN(C)C(=O)C1([NH2+]CC(=O)Nc2ccc(Br)cn2)CCCCC1 ZINC000295043475 532398825 /nfs/dbraw/zinc/39/88/25/532398825.db2.gz AVHHOOYILCMDJC-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000516883261 532395852 /nfs/dbraw/zinc/39/58/52/532395852.db2.gz SKAUTVJAKDCUPH-ZDUSSCGKSA-N 1 0 393.525 2.078 20 0 GEADRO Cn1nc(Br)cc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000192229006 532396513 /nfs/dbraw/zinc/39/65/13/532396513.db2.gz UWYQMDPMMPYKRR-UHFFFAOYSA-N 1 0 392.301 2.182 20 0 GEADRO COc1cc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(Br)c1OC ZINC000516916205 532397020 /nfs/dbraw/zinc/39/70/20/532397020.db2.gz ZBUVIFHWFUSMKT-CHWSQXEVSA-N 1 0 398.301 2.217 20 0 GEADRO CCc1n[nH]c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1Br ZINC000558684444 532397380 /nfs/dbraw/zinc/39/73/80/532397380.db2.gz VNEUNPQHVGXRRW-UHFFFAOYSA-N 1 0 385.306 2.109 20 0 GEADRO COC(=O)C[C@@]1([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000464611295 532400257 /nfs/dbraw/zinc/40/02/57/532400257.db2.gz SJPDYHMISIUVQO-GTNSWQLSSA-N 1 0 389.279 2.482 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@H](C)CCO ZINC000295071017 532400755 /nfs/dbraw/zinc/40/07/55/532400755.db2.gz HJHSDWAOHDBJSK-STQMWFEESA-N 1 0 387.318 2.461 20 0 GEADRO CS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1 ZINC000559072151 532400847 /nfs/dbraw/zinc/40/08/47/532400847.db2.gz VIBPWSBYFKYLDF-MRXNPFEDSA-N 1 0 383.897 2.414 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624609320 532399036 /nfs/dbraw/zinc/39/90/36/532399036.db2.gz ULRZJWXLMSNWGA-LBPRGKRZSA-N 1 0 385.306 2.384 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC000279738990 532401681 /nfs/dbraw/zinc/40/16/81/532401681.db2.gz KIHIHKZITZCETO-HNNXBMFYSA-N 1 0 394.946 2.073 20 0 GEADRO C[C@H](C(=O)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1)c1ccc(Cl)s1 ZINC000372703373 532401753 /nfs/dbraw/zinc/40/17/53/532401753.db2.gz SPTLNSFIQBWJHT-AAEUAGOBSA-N 1 0 390.958 2.273 20 0 GEADRO C[C@@H]1SCCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@H]1C ZINC000559401746 532402118 /nfs/dbraw/zinc/40/21/18/532402118.db2.gz DGOJHRRRPODASG-KKUMJFAQSA-N 1 0 381.567 2.354 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000648814923 532402314 /nfs/dbraw/zinc/40/23/14/532402314.db2.gz YZIUDIDBFHEMPG-UHFFFAOYSA-N 1 0 389.265 2.437 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCc1cccs1)c1ccc(Cl)cc1 ZINC000559433453 532404051 /nfs/dbraw/zinc/40/40/51/532404051.db2.gz AFQPDDPOWPOUAI-MRXNPFEDSA-N 1 0 379.913 2.479 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(Br)cc1F ZINC000591287218 532404598 /nfs/dbraw/zinc/40/45/98/532404598.db2.gz DIWYUBFUGASBIT-OQPBUACISA-N 1 0 388.237 2.494 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000372733581 532404678 /nfs/dbraw/zinc/40/46/78/532404678.db2.gz YURFJAKLGBKHOV-LBPRGKRZSA-N 1 0 380.286 2.459 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000372733312 532405274 /nfs/dbraw/zinc/40/52/74/532405274.db2.gz WSPDIYWQVZUHPC-GFCCVEGCSA-N 1 0 380.286 2.459 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C[C@H]2C1 ZINC000192518301 532405321 /nfs/dbraw/zinc/40/53/21/532405321.db2.gz MEUQJKHSOODEIV-RWMBFGLXSA-N 1 0 382.291 2.366 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372753900 532406785 /nfs/dbraw/zinc/40/67/85/532406785.db2.gz WWDGHMVJFKGUPR-HNNXBMFYSA-N 1 0 395.345 2.393 20 0 GEADRO COc1nc(N2CC[NH+](CC3CC(F)(F)C3)CC2)ncc1Br ZINC000295131732 532407530 /nfs/dbraw/zinc/40/75/30/532407530.db2.gz YGMBCEYBILMNPO-UHFFFAOYSA-N 1 0 377.233 2.415 20 0 GEADRO COCCC[N@H+](C)CCN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280062035 532407735 /nfs/dbraw/zinc/40/77/35/532407735.db2.gz KJEWIOUYGHYPIT-NSHDSACASA-N 1 0 398.356 2.260 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000517230161 532409644 /nfs/dbraw/zinc/40/96/44/532409644.db2.gz VLGOZOFVXZMLLJ-OAHLLOKOSA-N 1 0 393.285 2.052 20 0 GEADRO COc1cc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc(Br)c1OC ZINC000372785850 532409632 /nfs/dbraw/zinc/40/96/32/532409632.db2.gz QWHQNSOBCFTGSW-CYBMUJFWSA-N 1 0 383.286 2.424 20 0 GEADRO CC[NH2+]CCCNC(=O)NCc1ccc(I)c(C)c1 ZINC000591357845 532409700 /nfs/dbraw/zinc/40/97/00/532409700.db2.gz ODEMFIIHGIYWIG-UHFFFAOYSA-N 1 0 375.254 2.398 20 0 GEADRO C[C@H]([NH2+]C1CCC(N2CCCS2(=O)=O)CC1)c1ccc([S@](C)=O)cc1 ZINC000372784305 532409784 /nfs/dbraw/zinc/40/97/84/532409784.db2.gz SIHHXHUNPLGDHB-OSABRUBCSA-N 1 0 384.567 2.421 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000560036792 532409990 /nfs/dbraw/zinc/40/99/90/532409990.db2.gz NMUGIIUAVAZPOP-UHFFFAOYSA-N 1 0 399.738 2.349 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000648920607 532410008 /nfs/dbraw/zinc/41/00/08/532410008.db2.gz LYWDSHQGJOXHCS-AXAPSJFSSA-N 1 0 385.302 2.290 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NCC2CC[NH2+]CC2)cc1Br ZINC000517225149 532410066 /nfs/dbraw/zinc/41/00/66/532410066.db2.gz FKPNSLUWQJLPSA-INIZCTEOSA-N 1 0 398.345 2.207 20 0 GEADRO [NH3+]C/C=C\CNC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000591360977 532410072 /nfs/dbraw/zinc/41/00/72/532410072.db2.gz SLHRYZIIVFADHQ-DDGIKZQJSA-N 1 0 399.276 2.380 20 0 GEADRO [NH3+]C/C=C\CNC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000591360976 532410116 /nfs/dbraw/zinc/41/01/16/532410116.db2.gz SLHRYZIIVFADHQ-BOPNBLERSA-N 1 0 399.276 2.380 20 0 GEADRO C[C@H]([NH3+])CNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000591351988 532410190 /nfs/dbraw/zinc/41/01/90/532410190.db2.gz VCRAPKNCQMMGNT-NSHDSACASA-N 1 0 376.320 2.208 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000648918427 532410210 /nfs/dbraw/zinc/41/02/10/532410210.db2.gz VMBZVIARBGQFQG-LLVKDONJSA-N 1 0 389.265 2.173 20 0 GEADRO C[C@@H]([NH2+]C1CCC(N2CCCS2(=O)=O)CC1)c1ccc([S@](C)=O)cc1 ZINC000372784301 532410355 /nfs/dbraw/zinc/41/03/55/532410355.db2.gz SIHHXHUNPLGDHB-BZCWUULZSA-N 1 0 384.567 2.421 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000591584802 532414594 /nfs/dbraw/zinc/41/45/94/532414594.db2.gz PURYMNJUASAXTG-AWEZNQCLSA-N 1 0 397.317 2.432 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[N@@H+](C)C3)nc12 ZINC000680387539 532413588 /nfs/dbraw/zinc/41/35/88/532413588.db2.gz WQPICMHGGKGJME-CQSZACIVSA-N 1 0 394.317 2.341 20 0 GEADRO C[NH+](C)CCN1CCCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000372891371 532416974 /nfs/dbraw/zinc/41/69/74/532416974.db2.gz LRPYEBRWDDXFJE-UHFFFAOYSA-N 1 0 390.272 2.437 20 0 GEADRO C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280571977 532415054 /nfs/dbraw/zinc/41/50/54/532415054.db2.gz KMCATUHVVMOEJG-NSHDSACASA-N 1 0 399.310 2.440 20 0 GEADRO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000427207428 532416310 /nfs/dbraw/zinc/41/63/10/532416310.db2.gz VYLWCLNFLRANGD-QWHCGFSZSA-N 1 0 383.480 2.325 20 0 GEADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000680506503 532416439 /nfs/dbraw/zinc/41/64/39/532416439.db2.gz HQZXAVHUPUUMPN-UHFFFAOYSA-N 1 0 391.331 2.346 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372914360 532418610 /nfs/dbraw/zinc/41/86/10/532418610.db2.gz PTFRBSUZYLQZSK-SMDDNHRTSA-N 1 0 377.901 2.098 20 0 GEADRO COc1ccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(Br)c1O ZINC000680649435 532418623 /nfs/dbraw/zinc/41/86/23/532418623.db2.gz BLZBXNJJPREVKG-HNNXBMFYSA-N 1 0 398.345 2.375 20 0 GEADRO O=C(c1c(Cl)cc(F)cc1Cl)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000372882361 532417130 /nfs/dbraw/zinc/41/71/30/532417130.db2.gz SXVMCUMSQVCYFM-UHFFFAOYSA-N 1 0 391.270 2.432 20 0 GEADRO COC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1 ZINC000591674633 532417852 /nfs/dbraw/zinc/41/78/52/532417852.db2.gz KVVZJRACISRZLK-RYUDHWBXSA-N 1 0 391.212 2.024 20 0 GEADRO COc1c(Br)ccc(F)c1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000649216435 532417983 /nfs/dbraw/zinc/41/79/83/532417983.db2.gz ZLKHDPHXCKPEDO-OAHLLOKOSA-N 1 0 377.254 2.029 20 0 GEADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000193037579 532418369 /nfs/dbraw/zinc/41/83/69/532418369.db2.gz SPYNOXXXKPHQIT-UHFFFAOYSA-N 1 0 394.313 2.429 20 0 GEADRO Cn1ncc(Br)c1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000295216465 532418959 /nfs/dbraw/zinc/41/89/59/532418959.db2.gz MENVMNJNGPJEFD-UHFFFAOYSA-N 1 0 387.347 2.274 20 0 GEADRO CN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295209850 532419035 /nfs/dbraw/zinc/41/90/35/532419035.db2.gz ZWNFGNILSKMWCP-SJORKVTESA-N 1 0 382.295 2.479 20 0 GEADRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280952624 532419777 /nfs/dbraw/zinc/41/97/77/532419777.db2.gz UCSNFIRVIRMLKA-BXUZGUMPSA-N 1 0 375.922 2.156 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000465786157 532419937 /nfs/dbraw/zinc/41/99/37/532419937.db2.gz NRVPQCYCRFKKFJ-OCCSQVGLSA-N 1 0 397.317 2.478 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000295207544 532420070 /nfs/dbraw/zinc/42/00/70/532420070.db2.gz PSGBVEZCZONWBB-JTQLQIEISA-N 1 0 376.247 2.134 20 0 GEADRO O=C(NCC[NH2+]C1CC1)NCc1cc(Cl)cc(I)c1 ZINC000591692038 532420137 /nfs/dbraw/zinc/42/01/37/532420137.db2.gz XIJGFVYOBYLJPX-UHFFFAOYSA-N 1 0 393.656 2.496 20 0 GEADRO O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000427311442 532420696 /nfs/dbraw/zinc/42/06/96/532420696.db2.gz AYTJJXOSDRHJSW-STQMWFEESA-N 1 0 395.301 2.021 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)s1 ZINC000427368533 532423225 /nfs/dbraw/zinc/42/32/25/532423225.db2.gz AKHBHCXCHHDZOQ-AWEZNQCLSA-N 1 0 387.571 2.175 20 0 GEADRO CN(C(=O)c1cc(Br)c2c(c1)OCCO2)[C@H]1C[NH+]2CCC1CC2 ZINC000517698414 532423381 /nfs/dbraw/zinc/42/33/81/532423381.db2.gz XPPJAXVSMKPQJA-AWEZNQCLSA-N 1 0 381.270 2.387 20 0 GEADRO C[C@@H](NC(=O)CNC(=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000681189202 532423487 /nfs/dbraw/zinc/42/34/87/532423487.db2.gz KWEHSVBAIVYBHR-GFCCVEGCSA-N 1 0 382.302 2.025 20 0 GEADRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000649690848 532421924 /nfs/dbraw/zinc/42/19/24/532421924.db2.gz UABPHBBDIPEONI-NHYWBVRUSA-N 1 0 376.906 2.069 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000517715712 532423901 /nfs/dbraw/zinc/42/39/01/532423901.db2.gz VFKMNGADOIYEKY-SFHVURJKSA-N 1 0 392.297 2.088 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000517709569 532424069 /nfs/dbraw/zinc/42/40/69/532424069.db2.gz OXQXFBCMFQUNHK-ZDUSSCGKSA-N 1 0 375.897 2.324 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)C1 ZINC000193390132 532424325 /nfs/dbraw/zinc/42/43/25/532424325.db2.gz IDGSXHLTBWMGRI-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO C[C@@H](CNC(=O)NCC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000193385845 532424402 /nfs/dbraw/zinc/42/44/02/532424402.db2.gz PGEIOPHLUKOCMH-ZDUSSCGKSA-N 1 0 397.317 2.419 20 0 GEADRO C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000373001529 532425361 /nfs/dbraw/zinc/42/53/61/532425361.db2.gz PJNAOQBVDXGWEN-UHFFFAOYSA-N 1 0 395.301 2.117 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561023008 532426935 /nfs/dbraw/zinc/42/69/35/532426935.db2.gz VHZCIEMXBOKDHT-INIZCTEOSA-N 1 0 384.249 2.129 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000193538827 532426267 /nfs/dbraw/zinc/42/62/67/532426267.db2.gz NCTNBSKJJMXEGM-UHFFFAOYSA-N 1 0 396.207 2.474 20 0 GEADRO O[C@@H](C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1)CC1(O)CCC1 ZINC000625422028 532428221 /nfs/dbraw/zinc/42/82/21/532428221.db2.gz ZUJRRBIVDLCGPK-CQSZACIVSA-N 1 0 398.301 2.407 20 0 GEADRO C[N@H+](CC(=O)N(CCO)Cc1cc(Br)cs1)[C@H]1CCSC1 ZINC000427584668 532427061 /nfs/dbraw/zinc/42/70/61/532427061.db2.gz BYJPORPHZXMNLT-LBPRGKRZSA-N 1 0 393.372 2.269 20 0 GEADRO C[N@H+](CC(=O)N(CCO)Cc1cc(Br)cs1)[C@@H]1CCSC1 ZINC000427584667 532427267 /nfs/dbraw/zinc/42/72/67/532427267.db2.gz BYJPORPHZXMNLT-GFCCVEGCSA-N 1 0 393.372 2.269 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000625422697 532427619 /nfs/dbraw/zinc/42/76/19/532427619.db2.gz SJPMITJONWOIQZ-LBPRGKRZSA-N 1 0 385.917 2.235 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1ccccc1Br ZINC000193665546 532429501 /nfs/dbraw/zinc/42/95/01/532429501.db2.gz OJUGKHULIXSUMS-HNNXBMFYSA-N 1 0 396.329 2.228 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193689222 532430335 /nfs/dbraw/zinc/43/03/35/532430335.db2.gz XTZBNBRMNICRBL-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO C[NH+](C)CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000193684030 532430603 /nfs/dbraw/zinc/43/06/03/532430603.db2.gz QYLZOLNBDVUAOR-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696025 532430751 /nfs/dbraw/zinc/43/07/51/532430751.db2.gz OKFXMRMZGNQDBR-NWDGAFQWSA-N 1 0 387.297 2.221 20 0 GEADRO COC[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000193683292 532431225 /nfs/dbraw/zinc/43/12/25/532431225.db2.gz DFULQPYMRXEATP-KRWDZBQOSA-N 1 0 384.885 2.344 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)[C@H](C[NH3+])C1 ZINC000561197859 532431468 /nfs/dbraw/zinc/43/14/68/532431468.db2.gz HHIZXMYXLRJVNQ-ARFHVFGLSA-N 1 0 397.317 2.443 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Br)ccc2OC)C1 ZINC000626167830 532436029 /nfs/dbraw/zinc/43/60/29/532436029.db2.gz DJDZMWWPHHPZDU-GFCCVEGCSA-N 1 0 391.331 2.219 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000518114699 532434990 /nfs/dbraw/zinc/43/49/90/532434990.db2.gz IPAZVLTUHDZOMT-IXDOHACOSA-N 1 0 396.329 2.451 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428039643 532441307 /nfs/dbraw/zinc/44/13/07/532441307.db2.gz SNDWKPBOHKJWOG-UKPHBRMFSA-N 1 0 380.330 2.480 20 0 GEADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000427943224 532438106 /nfs/dbraw/zinc/43/81/06/532438106.db2.gz COCKEZRDJUYQGX-SNVBAGLBSA-N 1 0 393.303 2.032 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3F)C[C@@H]21 ZINC000427951201 532438270 /nfs/dbraw/zinc/43/82/70/532438270.db2.gz ORKJWZVVDXSVSW-GARJFASQSA-N 1 0 382.379 2.472 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000561474298 532440597 /nfs/dbraw/zinc/44/05/97/532440597.db2.gz NSCJFURAKZIXML-UHFFFAOYSA-N 1 0 377.388 2.446 20 0 GEADRO COc1cc(Br)c(CN2CC[N@H+](CCO)C(C)(C)C2)c(OC)c1 ZINC000682166046 532442178 /nfs/dbraw/zinc/44/21/78/532442178.db2.gz GKMKLJFDAFAQLR-UHFFFAOYSA-N 1 0 387.318 2.355 20 0 GEADRO CC[N@@H+]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000682186143 532442380 /nfs/dbraw/zinc/44/23/80/532442380.db2.gz DRRLKBUBWCOENI-SWLSCSKDSA-N 1 0 375.282 2.354 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626835258 532442411 /nfs/dbraw/zinc/44/24/11/532442411.db2.gz GXHJYXWHUDGCER-KRTXAFLBSA-N 1 0 392.656 2.294 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000626835374 532442578 /nfs/dbraw/zinc/44/25/78/532442578.db2.gz MVMLGJSYPBBGCC-SKDRFNHKSA-N 1 0 386.315 2.224 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000626845581 532443036 /nfs/dbraw/zinc/44/30/36/532443036.db2.gz BSMPDHPBWQVQND-LBPRGKRZSA-N 1 0 390.228 2.122 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)c(F)cc1Br ZINC000626846068 532443114 /nfs/dbraw/zinc/44/31/14/532443114.db2.gz ABSCADHKDRUKIM-AWEZNQCLSA-N 1 0 386.265 2.292 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)c1Br ZINC000626847077 532443226 /nfs/dbraw/zinc/44/32/26/532443226.db2.gz LELITDOWOBVNHN-GFCCVEGCSA-N 1 0 386.265 2.292 20 0 GEADRO C[C@@]1(NC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)CC[NH2+]C1 ZINC000626843345 532443415 /nfs/dbraw/zinc/44/34/15/532443415.db2.gz ZBKWIWCFLJZZBZ-CYBMUJFWSA-N 1 0 378.629 2.048 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000626844668 532443545 /nfs/dbraw/zinc/44/35/45/532443545.db2.gz OGXYSPBNRMYZSK-LBPRGKRZSA-N 1 0 375.803 2.336 20 0 GEADRO [NH3+]CC1(CCNC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)CC1 ZINC000626840721 532443800 /nfs/dbraw/zinc/44/38/00/532443800.db2.gz GIYDIHATCWMCQH-UHFFFAOYSA-N 1 0 392.297 2.073 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000626847673 532443827 /nfs/dbraw/zinc/44/38/27/532443827.db2.gz VARIWJKRBJOKIH-GFCCVEGCSA-N 1 0 388.693 2.497 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000626847675 532444267 /nfs/dbraw/zinc/44/42/67/532444267.db2.gz VAZVVGSYBNGVKV-GFCCVEGCSA-N 1 0 388.693 2.497 20 0 GEADRO O=C(CC[C@@H]1CCC[NH2+]1)NCCOc1ccc(I)cc1 ZINC000592275855 532444675 /nfs/dbraw/zinc/44/46/75/532444675.db2.gz PWZABMIKKQTFFR-ZDUSSCGKSA-N 1 0 388.249 2.318 20 0 GEADRO CC(=O)N[C@H](CC(=O)NCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000428116512 532445038 /nfs/dbraw/zinc/44/50/38/532445038.db2.gz DHIUHISKDZTTDF-MRXNPFEDSA-N 1 0 382.302 2.132 20 0 GEADRO CC[NH+](CC)C[C@H](C)Nc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000428110677 532445050 /nfs/dbraw/zinc/44/50/50/532445050.db2.gz HTKRKQQZXIFFSH-VIFPVBQESA-N 1 0 382.299 2.378 20 0 GEADRO COC[C@@H](CCO)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000373385969 532445537 /nfs/dbraw/zinc/44/55/37/532445537.db2.gz VPYFJMDGEUHCBO-MRXNPFEDSA-N 1 0 399.329 2.349 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000682409957 532445541 /nfs/dbraw/zinc/44/55/41/532445541.db2.gz BELOMMLCKQHHCT-UHFFFAOYSA-N 1 0 392.244 2.466 20 0 GEADRO C=Cn1cc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)cn1 ZINC000194285721 532445714 /nfs/dbraw/zinc/44/57/14/532445714.db2.gz ILWUZTBVURPGMI-CQSZACIVSA-N 1 0 399.232 2.118 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NCC2=CC[NH2+]CC2)cc1Br ZINC000626835543 532441692 /nfs/dbraw/zinc/44/16/92/532441692.db2.gz XBHDHEFMFQFCMR-UHFFFAOYSA-N 1 0 384.299 2.145 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cncc(Br)c2)C1 ZINC000561515843 532441924 /nfs/dbraw/zinc/44/19/24/532441924.db2.gz KEWYZYSYUFIJKZ-STQMWFEESA-N 1 0 390.347 2.490 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626835342 532442145 /nfs/dbraw/zinc/44/21/45/532442145.db2.gz LSLCESSVXDKAHS-UHFFFAOYSA-N 1 0 390.640 2.216 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000626834729 532442228 /nfs/dbraw/zinc/44/22/28/532442228.db2.gz IVWUGGWWOHPMIV-MRXNPFEDSA-N 1 0 398.326 2.322 20 0 GEADRO C[C@H]1C[C@@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)CC[N@@H+]1C ZINC000428168584 532446523 /nfs/dbraw/zinc/44/65/23/532446523.db2.gz BXBAQFJDHPJIJD-IUCAKERBSA-N 1 0 380.283 2.130 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)CC2([NH3+])CCC2)C[C@H]1c1ccc(Br)cc1 ZINC000592283278 532446612 /nfs/dbraw/zinc/44/66/12/532446612.db2.gz RUYFHRWJARZYOP-LSDHHAIUSA-N 1 0 395.297 2.436 20 0 GEADRO Cn1nnnc1CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000682435710 532446729 /nfs/dbraw/zinc/44/67/29/532446729.db2.gz DLZYFQPJMCUMBR-INIZCTEOSA-N 1 0 380.290 2.273 20 0 GEADRO COC[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C1CCOCC1 ZINC000467413542 532446955 /nfs/dbraw/zinc/44/69/55/532446955.db2.gz XNZHOCMCFWGTFQ-MRXNPFEDSA-N 1 0 390.933 2.040 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCc2csc(Br)c2)CC1 ZINC000518814160 532447121 /nfs/dbraw/zinc/44/71/21/532447121.db2.gz PUIURDHKWPCXGQ-CYBMUJFWSA-N 1 0 390.347 2.403 20 0 GEADRO C[NH2+]CCOCCNC(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000626946381 532447346 /nfs/dbraw/zinc/44/73/46/532447346.db2.gz PSANDHUVDQDUTE-UHFFFAOYSA-N 1 0 384.318 2.406 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(I)cc2Cl)CCO1 ZINC000592307466 532447581 /nfs/dbraw/zinc/44/75/81/532447581.db2.gz IOCHANLRAKACCM-PRHODGIISA-N 1 0 394.640 2.133 20 0 GEADRO CC(C)(C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1Br ZINC000627264890 532448309 /nfs/dbraw/zinc/44/83/09/532448309.db2.gz AEQDBJHJAYDXIC-ZIAGYGMSSA-N 1 0 381.314 2.394 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000592313923 532448682 /nfs/dbraw/zinc/44/86/82/532448682.db2.gz XMOBUHAPJVIPMH-ZDUSSCGKSA-N 1 0 385.295 2.411 20 0 GEADRO CSc1ccccc1S(=O)(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000373427979 532448767 /nfs/dbraw/zinc/44/87/67/532448767.db2.gz WIQJLYHGUNWJDP-INIZCTEOSA-N 1 0 383.583 2.198 20 0 GEADRO Cc1c(Cl)cccc1S(=O)(=O)NCc1ccncc1OCC[NH+](C)C ZINC000561730579 532449103 /nfs/dbraw/zinc/44/91/03/532449103.db2.gz 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PPWLMLCIYUBZSW-ZDUSSCGKSA-N 1 0 377.286 2.209 20 0 GEADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000282635951 532484842 /nfs/dbraw/zinc/48/48/42/532484842.db2.gz TUEOIZSJZCJMKG-UHFFFAOYSA-N 1 0 379.448 2.010 20 0 GEADRO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000520182807 532485317 /nfs/dbraw/zinc/48/53/17/532485317.db2.gz GQQIBPQKJIAAKZ-JSGCOSHPSA-N 1 0 383.286 2.291 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651672473 532485495 /nfs/dbraw/zinc/48/54/95/532485495.db2.gz AKZCHGGALDLWLX-AWEZNQCLSA-N 1 0 397.313 2.278 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000374083683 532487593 /nfs/dbraw/zinc/48/75/93/532487593.db2.gz MVFPVUJRJJJTKJ-ZFWWWQNUSA-N 1 0 388.917 2.128 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1 ZINC000593563249 532488450 /nfs/dbraw/zinc/48/84/50/532488450.db2.gz NBTFYUIHYNSHLJ-GOSISDBHSA-N 1 0 385.961 2.270 20 0 GEADRO COc1nccc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000295930367 532488687 /nfs/dbraw/zinc/48/86/87/532488687.db2.gz AOGCUBFWAROVIN-CQSZACIVSA-N 1 0 377.242 2.143 20 0 GEADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295963296 532490641 /nfs/dbraw/zinc/49/06/41/532490641.db2.gz BVVSWDJWYOPTJI-SNVBAGLBSA-N 1 0 392.258 2.034 20 0 GEADRO COCC[NH+]1CCC(N[C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000430134870 532490977 /nfs/dbraw/zinc/49/09/77/532490977.db2.gz DPQHNUTVAZZUEY-INIZCTEOSA-N 1 0 375.282 2.322 20 0 GEADRO Cc1sc2nc(C)nc(SCC(=O)N3CCC(O)(C[NH3+])CC3)c2c1C ZINC000562963098 532491242 /nfs/dbraw/zinc/49/12/42/532491242.db2.gz DXHKJWJAARYZGT-UHFFFAOYSA-N 1 0 380.539 2.021 20 0 GEADRO CCC[C@H]([NH3+])c1cn(CC(=O)Nc2cccc(I)c2)nn1 ZINC000229970284 532491575 /nfs/dbraw/zinc/49/15/75/532491575.db2.gz ZWFHPHVCDZVALA-LBPRGKRZSA-N 1 0 399.236 2.321 20 0 GEADRO CC[C@H](C(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1)[NH+](CC)CC ZINC000685247104 532492018 /nfs/dbraw/zinc/49/20/18/532492018.db2.gz PCYVKSBUDAXMNA-DOTOQJQBSA-N 1 0 375.579 2.015 20 0 GEADRO O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)N1CC[NH2+]CC1 ZINC000236672599 532493225 /nfs/dbraw/zinc/49/32/25/532493225.db2.gz IAYMHAZWQRJEAS-UHFFFAOYSA-N 1 0 392.253 2.269 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000563024659 532493538 /nfs/dbraw/zinc/49/35/38/532493538.db2.gz FKJBBOZYKBVEJK-CABCVRRESA-N 1 0 399.264 2.257 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000520473437 532493626 /nfs/dbraw/zinc/49/36/26/532493626.db2.gz DPLMKFJYXZXPDQ-CPUCHLNUSA-N 1 0 387.571 2.042 20 0 GEADRO CC(C)[C@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)[C@H](O)C(F)(F)F ZINC000685413304 532493735 /nfs/dbraw/zinc/49/37/35/532493735.db2.gz XBYAPGWEJGYSPB-GJZGRUSLSA-N 1 0 383.432 2.396 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000296010843 532493846 /nfs/dbraw/zinc/49/38/46/532493846.db2.gz YJXPRFSIGLVMCI-ZDUSSCGKSA-N 1 0 392.301 2.444 20 0 GEADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000430233526 532493887 /nfs/dbraw/zinc/49/38/87/532493887.db2.gz LZRISZRNPSCQSM-SNVBAGLBSA-N 1 0 399.676 2.810 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000236718579 532494606 /nfs/dbraw/zinc/49/46/06/532494606.db2.gz HPEDIWYWBKGDSK-CZUORRHYSA-N 1 0 382.302 2.214 20 0 GEADRO CC(C)(C)c1nc(CN2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)cs1 ZINC000236720594 532494703 /nfs/dbraw/zinc/49/47/03/532494703.db2.gz SCUCBSXMJIPBAQ-CQSZACIVSA-N 1 0 382.599 2.180 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)CCOCC(F)(F)F ZINC000685493538 532495009 /nfs/dbraw/zinc/49/50/09/532495009.db2.gz NGSWCHIOJCDHAE-UHFFFAOYSA-N 1 0 386.411 2.098 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236716329 532495277 /nfs/dbraw/zinc/49/52/77/532495277.db2.gz YVKZZYWFAIZMCC-RHSMWYFYSA-N 1 0 396.329 2.160 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)COc1ccc(I)cc1 ZINC000236749485 532496296 /nfs/dbraw/zinc/49/62/96/532496296.db2.gz TUWIHTRXUMUEFC-UHFFFAOYSA-N 1 0 376.238 2.304 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000236750903 532496429 /nfs/dbraw/zinc/49/64/29/532496429.db2.gz SXJLXKSQWFOABK-UHFFFAOYSA-N 1 0 396.340 2.296 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000651531449 532473795 /nfs/dbraw/zinc/47/37/95/532473795.db2.gz KCTOZJHGYRGTOA-LLVKDONJSA-N 1 0 379.511 2.032 20 0 GEADRO Cc1nn(C)c(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1Br ZINC000373840764 532474226 /nfs/dbraw/zinc/47/42/26/532474226.db2.gz GAIFVPBWBCVWLX-NWANDNLSSA-N 1 0 385.350 2.470 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000373841036 532474245 /nfs/dbraw/zinc/47/42/45/532474245.db2.gz ISSKDHXIXGTCMW-LBPRGKRZSA-N 1 0 393.289 2.445 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccncc1I ZINC000593177707 532474544 /nfs/dbraw/zinc/47/45/44/532474544.db2.gz UEEDPMOZNIDNLX-UHFFFAOYSA-N 1 0 390.269 2.208 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000430352677 532496632 /nfs/dbraw/zinc/49/66/32/532496632.db2.gz BDNNUKLWYUOZGF-HNNXBMFYSA-N 1 0 391.896 2.494 20 0 GEADRO COCCN1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429401701 532474916 /nfs/dbraw/zinc/47/49/16/532474916.db2.gz BAARGQWSHYRSHW-INIZCTEOSA-N 1 0 385.346 2.301 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000562625714 532475341 /nfs/dbraw/zinc/47/53/41/532475341.db2.gz LCADDTNFGKDWPY-CYBMUJFWSA-N 1 0 394.273 2.393 20 0 GEADRO O=S(=O)(c1cc(Br)cc(C(F)(F)F)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195302463 532475524 /nfs/dbraw/zinc/47/55/24/532475524.db2.gz PVGHSDQIFBEMSH-DTORHVGOSA-N 1 0 399.232 2.308 20 0 GEADRO O=S(=O)(c1ccc(Br)c(C(F)(F)F)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195302826 532475541 /nfs/dbraw/zinc/47/55/41/532475541.db2.gz REVBMHAMNMXOCN-DTORHVGOSA-N 1 0 399.232 2.308 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000468822106 532475994 /nfs/dbraw/zinc/47/59/94/532475994.db2.gz FGTBFGBSVQEYBA-ZIAGYGMSSA-N 1 0 385.302 2.396 20 0 GEADRO CCC[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)C(=O)N1CCc2sccc2C1 ZINC000236980993 532502465 /nfs/dbraw/zinc/50/24/65/532502465.db2.gz AFWBKEVUBGVLDK-GJZGRUSLSA-N 1 0 381.567 2.013 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000629816079 532502691 /nfs/dbraw/zinc/50/26/91/532502691.db2.gz UUAMGIHEBUYBOW-MRXNPFEDSA-N 1 0 396.329 2.172 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000521009064 532502822 /nfs/dbraw/zinc/50/28/22/532502822.db2.gz LZDVNDDOQWUPQU-UHFFFAOYSA-N 1 0 398.237 2.327 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000431023242 532502983 /nfs/dbraw/zinc/50/29/83/532502983.db2.gz HCAXJQMZOUZGOY-UHFFFAOYSA-N 1 0 395.269 2.492 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000237003664 532503084 /nfs/dbraw/zinc/50/30/84/532503084.db2.gz ZGIIKKMXYDLYLR-LRDDRELGSA-N 1 0 387.933 2.228 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430972343 532503170 /nfs/dbraw/zinc/50/31/70/532503170.db2.gz RUPLAZRAGHBVRA-UHIISALHSA-N 1 0 387.265 2.287 20 0 GEADRO C[C@H]1C[C@H](NC(=O)COc2cccc(I)c2)CC[N@@H+]1C ZINC000469464118 532503176 /nfs/dbraw/zinc/50/31/76/532503176.db2.gz DWRJJKHBUPZOMC-WCQYABFASA-N 1 0 388.249 2.269 20 0 GEADRO O=C(NCc1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000521076426 532504583 /nfs/dbraw/zinc/50/45/83/532504583.db2.gz TUCICNKWTHMFOY-CQSZACIVSA-N 1 0 394.313 2.198 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)CCC1CC[NH2+]CC1 ZINC000237095901 532504640 /nfs/dbraw/zinc/50/46/40/532504640.db2.gz LSNQAQCSEOIXAE-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO O=C1CNC(=O)N1CCC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296182381 532504664 /nfs/dbraw/zinc/50/46/64/532504664.db2.gz IKYIIQBGIUTITL-UHFFFAOYSA-N 1 0 376.404 2.283 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1Br ZINC000237227855 532505128 /nfs/dbraw/zinc/50/51/28/532505128.db2.gz XFQMUQARAYOBOA-MFKMUULPSA-N 1 0 377.304 2.206 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000237246008 532505314 /nfs/dbraw/zinc/50/53/14/532505314.db2.gz HGBPQZVSZNPIQW-NSHDSACASA-N 1 0 378.270 2.362 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1Br ZINC000237230336 532505446 /nfs/dbraw/zinc/50/54/46/532505446.db2.gz SHXKNFWRKMVNID-GWCFXTLKSA-N 1 0 377.304 2.254 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000237281428 532505875 /nfs/dbraw/zinc/50/58/75/532505875.db2.gz FFSYOBHRSCQLCM-GTJPDFRWSA-N 1 0 375.332 2.309 20 0 GEADRO C[NH2+]C1(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CCC1 ZINC000629999539 532505916 /nfs/dbraw/zinc/50/59/16/532505916.db2.gz NNXFDTZHAWHSHK-GFCCVEGCSA-N 1 0 380.286 2.060 20 0 GEADRO COCC[NH2+]CCNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000237287789 532505911 /nfs/dbraw/zinc/50/59/11/532505911.db2.gz ZCOIPBUNRGEQJK-UHFFFAOYSA-N 1 0 398.326 2.467 20 0 GEADRO COc1ccc(C[C@@H](CO)CNC(=O)C[N@H+](C)C2CCC2)cc1Br ZINC000630004546 532506043 /nfs/dbraw/zinc/50/60/43/532506043.db2.gz 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GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000630948862 532536161 /nfs/dbraw/zinc/53/61/61/532536161.db2.gz NEJRIZRDJZSZPL-LSBZLQRGSA-N 1 0 394.357 2.479 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000525891727 532536691 /nfs/dbraw/zinc/53/66/91/532536691.db2.gz FSPWCPFZMAZMOX-VXGBXAGGSA-N 1 0 383.286 2.314 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)N[C@@H](c2nccs2)C(F)(F)F)CC1 ZINC000296733835 532538052 /nfs/dbraw/zinc/53/80/52/532538052.db2.gz CKPQLABCLCMAHL-LBPRGKRZSA-N 1 0 379.452 2.072 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000246430881 532538832 /nfs/dbraw/zinc/53/88/32/532538832.db2.gz NXLBKTQFKPYSSA-NHYWBVRUSA-N 1 0 378.416 2.444 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1Cl ZINC000470930995 532539087 /nfs/dbraw/zinc/53/90/87/532539087.db2.gz MCNNUPPRQLJPSI-GFCCVEGCSA-N 1 0 388.295 2.155 20 0 GEADRO CN(Cc1cnc(Br)s1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296751129 532539571 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GEADRO O=C(C[NH2+][C@H]1CCc2ccc(I)cc21)NCC(F)F ZINC000595048507 532541782 /nfs/dbraw/zinc/54/17/82/532541782.db2.gz GVFYVAAIXOLTQP-NSHDSACASA-N 1 0 380.176 2.249 20 0 GEADRO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000653827278 532542431 /nfs/dbraw/zinc/54/24/31/532542431.db2.gz VDEZVDVWUGBVKF-NWDGAFQWSA-N 1 0 377.794 2.048 20 0 GEADRO COC(=O)c1coc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000595056199 532542586 /nfs/dbraw/zinc/54/25/86/532542586.db2.gz CWWCEBRAJLLDQN-JTQLQIEISA-N 1 0 396.241 2.304 20 0 GEADRO C[C@@H](CN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1)CS(C)(=O)=O ZINC000246640936 532542703 /nfs/dbraw/zinc/54/27/03/532542703.db2.gz UJMLNCCDBOKAKS-GXTWGEPZSA-N 1 0 383.432 2.058 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](C)[NH2+]1 ZINC000247300043 532545570 /nfs/dbraw/zinc/54/55/70/532545570.db2.gz OXTPPYUXEZEPKY-LALPHHSUSA-N 1 0 380.286 2.011 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3nnc4ccc(Br)cn43)[C@@H]2C1 ZINC000296794837 532543226 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O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000564580853 532529447 /nfs/dbraw/zinc/52/94/47/532529447.db2.gz FBNBREINAJSRJG-UHFFFAOYSA-N 1 0 380.901 2.263 20 0 GEADRO Cc1c(Br)c2ccccc2n1CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000653049342 532529475 /nfs/dbraw/zinc/52/94/75/532529475.db2.gz FLBFUZOSGKZARH-UHFFFAOYSA-N 1 0 393.329 2.076 20 0 GEADRO [NH3+]CC(=O)NCC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000470479730 532529727 /nfs/dbraw/zinc/52/97/27/532529727.db2.gz JIONGUPLFPQAPE-UHFFFAOYSA-N 1 0 389.321 2.373 20 0 GEADRO O=C(NCCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)c1cccc(Br)c1 ZINC000653083196 532530571 /nfs/dbraw/zinc/53/05/71/532530571.db2.gz RBRHVRZCHVOQBD-JKSUJKDBSA-N 1 0 394.313 2.216 20 0 GEADRO O=C(NCCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1ccc(Br)cc1 ZINC000653082883 532530601 /nfs/dbraw/zinc/53/06/01/532530601.db2.gz HUXLYXCIAVDXGR-CVEARBPZSA-N 1 0 394.313 2.216 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283285916 532530666 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C[C@H](NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1Br ZINC000433417534 532567533 /nfs/dbraw/zinc/56/75/33/532567533.db2.gz MAKFDVRBDDUNSA-RYUDHWBXSA-N 1 0 378.274 2.456 20 0 GEADRO O=C(NC1(c2ccc(Br)cc2)CC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433384761 532567855 /nfs/dbraw/zinc/56/78/55/532567855.db2.gz WYQWGQGACDSEGK-CQSZACIVSA-N 1 0 390.285 2.384 20 0 GEADRO COCc1c(Br)cccc1NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433390063 532567958 /nfs/dbraw/zinc/56/79/58/532567958.db2.gz ZDRPEAAVIXGZGZ-LLVKDONJSA-N 1 0 394.273 2.364 20 0 GEADRO O=C(Nc1ccc(I)cc1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433407952 532568046 /nfs/dbraw/zinc/56/80/46/532568046.db2.gz ZQJOKWOFSDUHHZ-GFCCVEGCSA-N 1 0 397.220 2.060 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2csnc2-c2ccccc2)CC1 ZINC000631948173 532568446 /nfs/dbraw/zinc/56/84/46/532568446.db2.gz YLTSJOHGYFWQLV-UHFFFAOYSA-N 1 0 381.523 2.199 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000249612304 532568391 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20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)CC[C@H]21 ZINC000248122413 532549110 /nfs/dbraw/zinc/54/91/10/532549110.db2.gz NNFUZLDNHWHBEY-XJKSGUPXSA-N 1 0 385.917 2.268 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000375843265 532582854 /nfs/dbraw/zinc/58/28/54/532582854.db2.gz XRULNQNQPVUODB-HDEZJCGLSA-N 1 0 382.551 2.306 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000565891367 532583100 /nfs/dbraw/zinc/58/31/00/532583100.db2.gz BUYXTIZEFCWFAD-UHFFFAOYSA-N 1 0 375.822 2.412 20 0 GEADRO COCC1(CNS(=O)(=O)c2cccc(Br)c2C)CC[NH2+]CC1 ZINC000262043356 532583224 /nfs/dbraw/zinc/58/32/24/532583224.db2.gz PMGJVNWYIQDETH-UHFFFAOYSA-N 1 0 391.331 2.052 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000375843273 532583390 /nfs/dbraw/zinc/58/33/90/532583390.db2.gz XRULNQNQPVUODB-WTTBNOFXSA-N 1 0 382.551 2.306 20 0 GEADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375835915 532583464 /nfs/dbraw/zinc/58/34/64/532583464.db2.gz AELVYCRHYWSQJC-UONOGXRCSA-N 1 0 388.555 2.469 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000262048210 532583580 /nfs/dbraw/zinc/58/35/80/532583580.db2.gz IDBJOYXEAAHNIK-INIZCTEOSA-N 1 0 396.329 2.039 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000632151184 532583716 /nfs/dbraw/zinc/58/37/16/532583716.db2.gz AHOGDCJIPHQOJH-HNNXBMFYSA-N 1 0 380.432 2.144 20 0 GEADRO Cc1nc(C(F)(F)F)c(CN2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000262078674 532584734 /nfs/dbraw/zinc/58/47/34/532584734.db2.gz DUGKPTYFSGISRZ-LBPRGKRZSA-N 1 0 376.448 2.114 20 0 GEADRO CN(Cc1cscn1)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000565916288 532584944 /nfs/dbraw/zinc/58/49/44/532584944.db2.gz IYGKNHCDVNCLSQ-HNNXBMFYSA-N 1 0 380.901 2.174 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)ccc2s1 ZINC000262137390 532585249 /nfs/dbraw/zinc/58/52/49/532585249.db2.gz XKSTYGSVEWGIAP-NWDGAFQWSA-N 1 0 382.507 2.436 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000632163958 532585395 /nfs/dbraw/zinc/58/53/95/532585395.db2.gz GIEKPHDXABYNEN-UHFFFAOYSA-N 1 0 382.452 2.181 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000434047255 532585597 /nfs/dbraw/zinc/58/55/97/532585597.db2.gz OODGQMGPWHBTMB-OLZOCXBDSA-N 1 0 398.301 2.199 20 0 GEADRO C[C@]1(Br)C[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000528860586 532585649 /nfs/dbraw/zinc/58/56/49/532585649.db2.gz IMUIDPQXEYVKLI-CBZIJGRNSA-N 1 0 381.314 2.159 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000297386190 532585738 /nfs/dbraw/zinc/58/57/38/532585738.db2.gz NNFQTRWVKCOBSD-XJKSGUPXSA-N 1 0 394.313 2.251 20 0 GEADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298625 532585838 /nfs/dbraw/zinc/58/58/38/532585838.db2.gz ABZOYTCAFLVTQB-UONOGXRCSA-N 1 0 392.297 2.059 20 0 GEADRO C[C@]1(Br)C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000528860590 532586403 /nfs/dbraw/zinc/58/64/03/532586403.db2.gz IMUIDPQXEYVKLI-KONPQCLYSA-N 1 0 381.314 2.159 20 0 GEADRO O=C(CCCCOc1ccc(Br)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297524 532586456 /nfs/dbraw/zinc/58/64/56/532586456.db2.gz KLCZDWHSJFPDPV-JKSUJKDBSA-N 1 0 397.313 2.276 20 0 GEADRO Cc1ccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc1I ZINC000473276888 532586980 /nfs/dbraw/zinc/58/69/80/532586980.db2.gz ADUPVRTVLYVNAC-OAHLLOKOSA-N 1 0 390.265 2.032 20 0 GEADRO Cc1c(I)cccc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000473278349 532587796 /nfs/dbraw/zinc/58/77/96/532587796.db2.gz XUOLVBDSVYIXKH-HNNXBMFYSA-N 1 0 390.265 2.032 20 0 GEADRO Brc1ccc(-n2cc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cn2)cc1 ZINC000262168651 532587743 /nfs/dbraw/zinc/58/77/43/532587743.db2.gz UTSSSIWLHHZUNH-GOSISDBHSA-N 1 0 390.329 2.114 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(c3nc(C4CC4)ncc3Br)C2)CC1 ZINC000596122164 532587832 /nfs/dbraw/zinc/58/78/32/532587832.db2.gz JTMJUYQHXHUOLE-CQSZACIVSA-N 1 0 380.334 2.333 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)ccc1Cl ZINC000375966205 532587951 /nfs/dbraw/zinc/58/79/51/532587951.db2.gz XKENSZUUQFDNJM-MRXNPFEDSA-N 1 0 378.881 2.360 20 0 GEADRO C[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)C1C[NH2+]C1 ZINC000262202173 532588384 /nfs/dbraw/zinc/58/83/84/532588384.db2.gz NFHUITZSNHVBCC-GFCCVEGCSA-N 1 0 394.313 2.482 20 0 GEADRO O=S(=O)(C[C@@H]1CCC1(F)F)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000632192379 532588432 /nfs/dbraw/zinc/58/84/32/532588432.db2.gz BPZRXTVSZGLTEO-INIZCTEOSA-N 1 0 380.501 2.186 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2c(F)cncc2Br)ccn1 ZINC000632201038 532588572 /nfs/dbraw/zinc/58/85/72/532588572.db2.gz OEMRHTQNHSLYOA-UHFFFAOYSA-N 1 0 397.248 2.249 20 0 GEADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655435357 532588977 /nfs/dbraw/zinc/58/89/77/532588977.db2.gz DWUTVWVPXHEMDK-RHSMWYFYSA-N 1 0 390.285 2.417 20 0 GEADRO CSc1cc(Br)ccc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000655462871 532589646 /nfs/dbraw/zinc/58/96/46/532589646.db2.gz YFAROKGNJLKOOM-ZDUSSCGKSA-N 1 0 384.343 2.291 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000473376249 532589829 /nfs/dbraw/zinc/58/98/29/532589829.db2.gz WHFKIZNJRGFRKG-QWRGUYRKSA-N 1 0 386.265 2.434 20 0 GEADRO C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000297545464 532595726 /nfs/dbraw/zinc/59/57/26/532595726.db2.gz ZEOBJESBCBPGCF-BLLLJJGKSA-N 1 0 390.311 2.437 20 0 GEADRO O=S(=O)(c1ccc(CC[NH2+][C@@H]2CCn3ccnc32)s1)N1CCCCC1 ZINC000297559587 532595772 /nfs/dbraw/zinc/59/57/72/532595772.db2.gz GBWCUQJUPMWFSJ-OAHLLOKOSA-N 1 0 380.539 2.396 20 0 GEADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NS(=O)(=O)CCc2cccs2)cc1 ZINC000262360684 532590635 /nfs/dbraw/zinc/59/06/35/532590635.db2.gz VNPSGCYPIAGCPQ-QZTJIDSGSA-N 1 0 380.535 2.364 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000473404902 532591194 /nfs/dbraw/zinc/59/11/94/532591194.db2.gz GSLVUNUJQGDXBH-GXFFZTMASA-N 1 0 386.265 2.434 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)[C@@H](OC)c2ccccc2Br)CC1 ZINC000655481802 532591906 /nfs/dbraw/zinc/59/19/06/532591906.db2.gz LCCWXWOLRZPGMW-INIZCTEOSA-N 1 0 385.302 2.364 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000434342134 532592172 /nfs/dbraw/zinc/59/21/72/532592172.db2.gz AIFRNZVCXQPABC-OAHLLOKOSA-N 1 0 396.329 2.126 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000434342132 532592370 /nfs/dbraw/zinc/59/23/70/532592370.db2.gz AIFRNZVCXQPABC-HNNXBMFYSA-N 1 0 396.329 2.126 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1cn[nH]c1 ZINC000297544413 532595840 /nfs/dbraw/zinc/59/58/40/532595840.db2.gz FEVKCDCERKGDGH-MFKMUULPSA-N 1 0 387.221 2.105 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CCC2(CC[NH2+]2)CC1)c1ccc(Br)cc1 ZINC000566093023 532593222 /nfs/dbraw/zinc/59/32/22/532593222.db2.gz BHCYHMPNPQDSHE-MRXNPFEDSA-N 1 0 394.313 2.371 20 0 GEADRO COc1ccc(-c2nc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cs2)cc1OC ZINC000655512346 532593673 /nfs/dbraw/zinc/59/36/73/532593673.db2.gz DWERJQVZDITXTA-GFCCVEGCSA-N 1 0 375.372 2.447 20 0 GEADRO CC(C)C(=O)NCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000566108628 532593675 /nfs/dbraw/zinc/59/36/75/532593675.db2.gz WXLDDNPSPOYITO-LBPRGKRZSA-N 1 0 393.709 2.204 20 0 GEADRO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2csc(CC[NH3+])n2)C1 ZINC000262407643 532593835 /nfs/dbraw/zinc/59/38/35/532593835.db2.gz RXZGSLDBPRHIQX-LBPRGKRZSA-N 1 0 380.901 2.315 20 0 GEADRO [NH3+]C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)C(F)(F)F ZINC000655508699 532594261 /nfs/dbraw/zinc/59/42/61/532594261.db2.gz NIWIXBKTIUDUTA-LBPRGKRZSA-N 1 0 398.834 2.432 20 0 GEADRO CN([C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)S(=O)(=O)CCC[NH+](C)C ZINC000632239016 532594764 /nfs/dbraw/zinc/59/47/64/532594764.db2.gz YGWCKXKOMHETRW-GJZGRUSLSA-N 1 0 381.325 2.165 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC[C@H]([NH3+])C3)c(Cl)cc21 ZINC000631962706 532570454 /nfs/dbraw/zinc/57/04/54/532570454.db2.gz ORFYTLLACZLHSG-AWEZNQCLSA-N 1 0 385.917 2.141 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)c2nccn2c1 ZINC000631962555 532570505 /nfs/dbraw/zinc/57/05/05/532570505.db2.gz PPXSEFYRAYQOMH-AWEZNQCLSA-N 1 0 395.301 2.064 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C[N@@H+]1C1CC1 ZINC000472309081 532570462 /nfs/dbraw/zinc/57/04/62/532570462.db2.gz HRRVTDWFXZMQQZ-NXEZZACHSA-N 1 0 377.279 2.492 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2csnc2-c2ccccc2)CCOCC1 ZINC000631968842 532570687 /nfs/dbraw/zinc/57/06/87/532570687.db2.gz XRZZCEPLNCZQIB-UHFFFAOYSA-N 1 0 381.523 2.199 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc21 ZINC000631971426 532570846 /nfs/dbraw/zinc/57/08/46/532570846.db2.gz RLFNXLJHJAUWBB-PHIMTYICSA-N 1 0 384.299 2.066 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000631972366 532570923 /nfs/dbraw/zinc/57/09/23/532570923.db2.gz CJRXJQOYBDKDIR-BPLDGKMQSA-N 1 0 388.917 2.398 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000251029662 532571028 /nfs/dbraw/zinc/57/10/28/532571028.db2.gz CQIQEWAMWKROMP-NWDGAFQWSA-N 1 0 387.265 2.220 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C[N@@H+]1C1CC1 ZINC000472309091 532571226 /nfs/dbraw/zinc/57/12/26/532571226.db2.gz HRRVTDWFXZMQQZ-UWVGGRQHSA-N 1 0 377.279 2.492 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1OC[C@H]1CCCCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631970661 532571353 /nfs/dbraw/zinc/57/13/53/532571353.db2.gz ZOBZEWBAXHFLJY-SOUVJXGZSA-N 1 0 386.901 2.023 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000631972367 532571456 /nfs/dbraw/zinc/57/14/56/532571456.db2.gz CJRXJQOYBDKDIR-SNPRPXQTSA-N 1 0 388.917 2.398 20 0 GEADRO CC(C)C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccccc1Cl)[NH+](C)C ZINC000565602318 532571529 /nfs/dbraw/zinc/57/15/29/532571529.db2.gz BXJKNFGLFYZORT-AWEZNQCLSA-N 1 0 389.949 2.101 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC[C@H]1[NH3+] ZINC000251755805 532571765 /nfs/dbraw/zinc/57/17/65/532571765.db2.gz LPSOCGWIZXKBLT-GXFFZTMASA-N 1 0 377.304 2.206 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000433520554 532572312 /nfs/dbraw/zinc/57/23/12/532572312.db2.gz ZBRFLVBMPJKCFC-NSHDSACASA-N 1 0 386.290 2.241 20 0 GEADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631994713 532572329 /nfs/dbraw/zinc/57/23/29/532572329.db2.gz QGFQGTPBWKQWLU-GXFFZTMASA-N 1 0 377.279 2.351 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000252007173 532572457 /nfs/dbraw/zinc/57/24/57/532572457.db2.gz XXWBXPSJAYMZBP-HZSPNIEDSA-N 1 0 385.302 2.130 20 0 GEADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000565705486 532572502 /nfs/dbraw/zinc/57/25/02/532572502.db2.gz MXIWJUVCCUBHJF-SKDRFNHKSA-N 1 0 378.782 2.136 20 0 GEADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631995115 532572668 /nfs/dbraw/zinc/57/26/68/532572668.db2.gz YEZZVGUZNNYSQY-MFKMUULPSA-N 1 0 377.279 2.351 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C1 ZINC000283995403 532572727 /nfs/dbraw/zinc/57/27/27/532572727.db2.gz IDNDHPHVTLAXSQ-UWVGGRQHSA-N 1 0 376.404 2.043 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654886669 532573408 /nfs/dbraw/zinc/57/34/08/532573408.db2.gz IRRSTFNWUXBMRT-XBXGTLAGSA-N 1 0 382.302 2.461 20 0 GEADRO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000375660169 532573409 /nfs/dbraw/zinc/57/34/09/532573409.db2.gz ZTOULFLPHOBGHO-LUYZLQTOSA-N 1 0 386.539 2.002 20 0 GEADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000565712500 532573562 /nfs/dbraw/zinc/57/35/62/532573562.db2.gz YQWYXKPGMBQASL-DOMZBBRYSA-N 1 0 385.302 2.475 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000654888308 532573806 /nfs/dbraw/zinc/57/38/06/532573806.db2.gz HUCUSHAWTOUSGB-WAAGHKOSSA-N 1 0 390.228 2.122 20 0 GEADRO Cc1csc([C@H](NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)C(F)(F)F)n1 ZINC000297228734 532574612 /nfs/dbraw/zinc/57/46/12/532574612.db2.gz WJLQIIRNNVWZMG-WOPDTQHZSA-N 1 0 380.436 2.151 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000654890246 532574908 /nfs/dbraw/zinc/57/49/08/532574908.db2.gz NNWSMBZFMBMCFU-AOOOYVTPSA-N 1 0 388.693 2.497 20 0 GEADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(Br)cc2)CCCO1 ZINC000433639769 532574922 /nfs/dbraw/zinc/57/49/22/532574922.db2.gz ZRNXFZORPSRHNH-ZDUSSCGKSA-N 1 0 398.301 2.005 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000528568634 532575046 /nfs/dbraw/zinc/57/50/46/532575046.db2.gz YIRJCZTWFAQGDW-UHFFFAOYSA-N 1 0 386.323 2.452 20 0 GEADRO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000375687595 532575808 /nfs/dbraw/zinc/57/58/08/532575808.db2.gz KAGRJZOQJAIKRH-STQMWFEESA-N 1 0 386.901 2.374 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000654949571 532575822 /nfs/dbraw/zinc/57/58/22/532575822.db2.gz WWHUDSNRQDTIIH-KGLIPLIRSA-N 1 0 395.301 2.224 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C[C@@H](O)C[N@H+](C)C1CC1)C2 ZINC000595904736 532575809 /nfs/dbraw/zinc/57/58/09/532575809.db2.gz CFQDRXAFMSEJHB-JTQLQIEISA-N 1 0 389.315 2.068 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1c(F)cncc1Br ZINC000632026275 532576147 /nfs/dbraw/zinc/57/61/47/532576147.db2.gz BJAPYBKWMUKEPY-DDTOSNHZSA-N 1 0 386.265 2.307 20 0 GEADRO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)Nc1ccc(Br)cc1 ZINC000565756891 532576834 /nfs/dbraw/zinc/57/68/34/532576834.db2.gz ZADRQXKEVHRLHE-APHBMKBZSA-N 1 0 383.286 2.249 20 0 GEADRO COc1nc(N2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)ncc1Br ZINC000472560291 532577245 /nfs/dbraw/zinc/57/72/45/532577245.db2.gz BKGLELCXYLMCGP-AWEZNQCLSA-N 1 0 398.349 2.244 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCc1nccs1)c1ccsc1 ZINC000284478465 532595347 /nfs/dbraw/zinc/59/53/47/532595347.db2.gz HEJYOQLVMFIIJP-AWEZNQCLSA-N 1 0 380.539 2.063 20 0 GEADRO CC(C)(C)C(=O)N1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261739192 532578570 /nfs/dbraw/zinc/57/85/70/532578570.db2.gz LQZOHNGMDKKREE-SFHVURJKSA-N 1 0 396.329 2.340 20 0 GEADRO COC(=O)[C@H](NC(=O)c1cc(C(C)(C)[NH3+])no1)c1ccc(Br)cc1 ZINC000595934625 532578568 /nfs/dbraw/zinc/57/85/68/532578568.db2.gz WOAIQNKVKBPNOG-CYBMUJFWSA-N 1 0 396.241 2.275 20 0 GEADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000472588297 532578846 /nfs/dbraw/zinc/57/88/46/532578846.db2.gz ZMCXYSRSXSYCLF-CQSZACIVSA-N 1 0 393.372 2.473 20 0 GEADRO CCOc1cc(C[NH2+][C@H]2CCCN(CCCO)C2)cc(Br)c1O ZINC000297294319 532579327 /nfs/dbraw/zinc/57/93/27/532579327.db2.gz ASUUZBDVRZDOJF-AWEZNQCLSA-N 1 0 387.318 2.490 20 0 GEADRO C[C@]1(CO)C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@]1(C)CO ZINC000528752173 532579455 /nfs/dbraw/zinc/57/94/55/532579455.db2.gz WHBJMTRIZKFVHL-AFAVFJNCSA-N 1 0 378.296 2.046 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)c1sc2c(c1I)CNC2 ZINC000595944770 532579468 /nfs/dbraw/zinc/57/94/68/532579468.db2.gz XMEYWQANIKZYPY-MRVPVSSYSA-N 1 0 393.294 2.026 20 0 GEADRO COc1ccc(Br)cc1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261959446 532579627 /nfs/dbraw/zinc/57/96/27/532579627.db2.gz HCDRVRNIPFSVQH-HNNXBMFYSA-N 1 0 384.318 2.277 20 0 GEADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000565827836 532580311 /nfs/dbraw/zinc/58/03/11/532580311.db2.gz CYFBISMNXUBQAT-HNNXBMFYSA-N 1 0 383.286 2.500 20 0 GEADRO O=C(Nc1nc2cc(I)ccc2[nH]1)[C@H]1CC12CC[NH2+]CC2 ZINC000595947215 532580194 /nfs/dbraw/zinc/58/01/94/532580194.db2.gz HNGWDWYJNKNQLV-SNVBAGLBSA-N 1 0 396.232 2.496 20 0 GEADRO CN(C)C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000528768668 532580539 /nfs/dbraw/zinc/58/05/39/532580539.db2.gz PJKNYKGKVQWIEY-WBMJQRKESA-N 1 0 394.368 2.467 20 0 GEADRO Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375753940 532581170 /nfs/dbraw/zinc/58/11/70/532581170.db2.gz NBNBWKVSEAOMEO-LBPRGKRZSA-N 1 0 388.946 2.244 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[C@H]1c1ccccc1Cl ZINC000262015458 532581171 /nfs/dbraw/zinc/58/11/71/532581171.db2.gz OJRJQYNQESJMRT-YDHLFZDLSA-N 1 0 375.822 2.396 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000261988543 532581866 /nfs/dbraw/zinc/58/18/66/532581866.db2.gz SKXGOBCCQZFWJI-UHFFFAOYSA-N 1 0 383.315 2.444 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)s1 ZINC000262015521 532582117 /nfs/dbraw/zinc/58/21/17/532582117.db2.gz OLEABWTVKMUAGH-SECBINFHSA-N 1 0 386.237 2.077 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000566510950 532614488 /nfs/dbraw/zinc/61/44/88/532614488.db2.gz FIURVNRAUAGNEA-UHFFFAOYSA-N 1 0 396.329 2.184 20 0 GEADRO COc1cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)cc(I)c1OC ZINC000435373325 532614576 /nfs/dbraw/zinc/61/45/76/532614576.db2.gz DNBGCFSGPMANBF-ZWNOBZJWSA-N 1 0 390.265 2.478 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000474360550 532614902 /nfs/dbraw/zinc/61/49/02/532614902.db2.gz AGQLDFKSLXASDS-QWHCGFSZSA-N 1 0 382.302 2.120 20 0 GEADRO COc1cc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc(I)c1OC ZINC000435373379 532615164 /nfs/dbraw/zinc/61/51/64/532615164.db2.gz MXSCXXDXZAHPDS-JQWIXIFHSA-N 1 0 390.265 2.478 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CC3(CC3)c3ccc(Br)cc32)CC1 ZINC000529823087 532615584 /nfs/dbraw/zinc/61/55/84/532615584.db2.gz YNGDALVWJSFVTG-UHFFFAOYSA-N 1 0 378.314 2.465 20 0 GEADRO COc1cc(CN2CCC[C@@H]([NH3+])C2)cc(I)c1OC ZINC000435387086 532615647 /nfs/dbraw/zinc/61/56/47/532615647.db2.gz WWFHXTIYJLUQSK-LLVKDONJSA-N 1 0 376.238 2.232 20 0 GEADRO C[C@@H](c1ncc(Br)cn1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376517596 532615683 /nfs/dbraw/zinc/61/56/83/532615683.db2.gz KJQVUSJCMIEXMA-YCPHGPKFSA-N 1 0 382.350 2.258 20 0 GEADRO C[NH+](C)C[C@@H](CNS(=O)(=O)c1c[nH]c(=O)s1)c1ccc(Cl)cc1 ZINC000632506720 532616806 /nfs/dbraw/zinc/61/68/06/532616806.db2.gz ICWPBICCTXFGAA-LLVKDONJSA-N 1 0 375.903 2.126 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN([C@H](C)c3ncc(Br)cn3)C2)CC1 ZINC000376544508 532617581 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20 0 GEADRO COc1ccc(Br)c(CN(C)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655926182 532603452 /nfs/dbraw/zinc/60/34/52/532603452.db2.gz DKXZOGHTROMFTN-LLVKDONJSA-N 1 0 384.196 2.489 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)C(F)(F)F ZINC000655914670 532603642 /nfs/dbraw/zinc/60/36/42/532603642.db2.gz HDSNAICKXJUTCA-VXGBXAGGSA-N 1 0 396.207 2.422 20 0 GEADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000473944424 532604096 /nfs/dbraw/zinc/60/40/96/532604096.db2.gz LCOFHGGADGNZRH-UHFFFAOYSA-N 1 0 390.571 2.223 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)nc12 ZINC000655923564 532604330 /nfs/dbraw/zinc/60/43/30/532604330.db2.gz AGAFUZQXPROPBA-JTQLQIEISA-N 1 0 394.195 2.094 20 0 GEADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000376242895 532604588 /nfs/dbraw/zinc/60/45/88/532604588.db2.gz WVZGCWRLANUVEA-SGTLLEGYSA-N 1 0 382.291 2.277 20 0 GEADRO O=C(C[C@@H]1CCS(=O)(=O)C1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435565811 532621739 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CO[C@@H](C[NH3+])CC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000262935551 532607892 /nfs/dbraw/zinc/60/78/92/532607892.db2.gz TXQZBZYJFWOXKX-CZUORRHYSA-N 1 0 384.318 2.018 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC000262944692 532608339 /nfs/dbraw/zinc/60/83/39/532608339.db2.gz UYJFHOAQYMOETK-XFBWCDHKSA-N 1 0 382.302 2.273 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000566396656 532608331 /nfs/dbraw/zinc/60/83/31/532608331.db2.gz DNCLQSVMCLMEBM-CYBMUJFWSA-N 1 0 393.347 2.478 20 0 GEADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)[C@@H]1c1cccnc1 ZINC000376329181 532608388 /nfs/dbraw/zinc/60/83/88/532608388.db2.gz YYHKTTHPGSZDFR-WFASDCNBSA-N 1 0 384.864 2.240 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 ZINC000474172484 532608690 /nfs/dbraw/zinc/60/86/90/532608690.db2.gz QNYJVSMLBLMFMT-AWEZNQCLSA-N 1 0 390.933 2.470 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000474166064 532609076 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CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000297907720 532611066 /nfs/dbraw/zinc/61/10/66/532611066.db2.gz SFPIBYZBDCKBRE-AWEZNQCLSA-N 1 0 382.291 2.425 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263015847 532611198 /nfs/dbraw/zinc/61/11/98/532611198.db2.gz QIWJYAUVMYMTGP-WBMJQRKESA-N 1 0 383.290 2.149 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000656263102 532611882 /nfs/dbraw/zinc/61/18/82/532611882.db2.gz AQVCYPQNCBDKKP-QGZVFWFLSA-N 1 0 380.286 2.262 20 0 GEADRO COc1cc(Br)cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000284699438 532612176 /nfs/dbraw/zinc/61/21/76/532612176.db2.gz GGNREPMBZXOVRI-NEPJUHHUSA-N 1 0 386.290 2.377 20 0 GEADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CCO[C@@H]2C(=O)OC)cc1OC ZINC000597192206 532613371 /nfs/dbraw/zinc/61/33/71/532613371.db2.gz LEHDMHRXPBDTMB-DOMZBBRYSA-N 1 0 388.258 2.277 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000597187099 532613444 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GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000436058614 532625405 /nfs/dbraw/zinc/62/54/05/532625405.db2.gz LCCJHBVDUHIOMV-ZDUSSCGKSA-N 1 0 387.311 2.251 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1nc(Br)sc1C1CC1 ZINC000376719702 532625666 /nfs/dbraw/zinc/62/56/66/532625666.db2.gz YNINDMKTLVYARH-WDEREUQCSA-N 1 0 386.315 2.376 20 0 GEADRO NC(=O)c1ccc(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)nc1Cl ZINC000376713777 532625708 /nfs/dbraw/zinc/62/57/08/532625708.db2.gz XSYQIZLQFTVZIL-UHFFFAOYSA-N 1 0 378.885 2.290 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cc(F)c(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000298115874 532626286 /nfs/dbraw/zinc/62/62/86/532626286.db2.gz ZCLGFSJIVACRRF-NSHDSACASA-N 1 0 394.871 2.199 20 0 GEADRO C[C@H]1CN(Cc2ccc(I)c(Cl)c2)CC[N@@H+]1CCO ZINC000436100376 532627128 /nfs/dbraw/zinc/62/71/28/532627128.db2.gz NIDCBCIXPODJEB-NSHDSACASA-N 1 0 394.684 2.443 20 0 GEADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1Cc1csc(Cl)n1 ZINC000298121535 532628209 /nfs/dbraw/zinc/62/82/09/532628209.db2.gz BTIBBIMSTXJXDP-KRWDZBQOSA-N 1 0 376.869 2.493 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NCc2c(F)ccc(I)c2F)C1 ZINC000474795267 532628741 /nfs/dbraw/zinc/62/87/41/532628741.db2.gz NTSYTIJUFPMANL-SNVBAGLBSA-N 1 0 396.219 2.380 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000567231499 532646143 /nfs/dbraw/zinc/64/61/43/532646143.db2.gz BNJJABFRGYOGEU-SGMGOOAPSA-N 1 0 395.301 2.019 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000298155134 532629778 /nfs/dbraw/zinc/62/97/78/532629778.db2.gz ZGSXTLLTNBLFIT-XJKSGUPXSA-N 1 0 396.329 2.349 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000285082084 532646158 /nfs/dbraw/zinc/64/61/58/532646158.db2.gz JQGQSBGQOZEUJW-AWEZNQCLSA-N 1 0 394.313 2.008 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1cnc2n(c1=O)CCS2)c1ccc(Cl)cc1 ZINC000530828341 532630925 /nfs/dbraw/zinc/63/09/25/532630925.db2.gz CMCOSQUNUOIFHA-CQSZACIVSA-N 1 0 378.885 2.035 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1(CO)COC1 ZINC000474887719 532631103 /nfs/dbraw/zinc/63/11/03/532631103.db2.gz BANQPVVPRKMBNU-LBPRGKRZSA-N 1 0 375.250 2.211 20 0 GEADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)[C@H]1C ZINC000474897912 532631434 /nfs/dbraw/zinc/63/14/34/532631434.db2.gz VQCVUVFRZZKZDR-AEGPPILISA-N 1 0 388.555 2.211 20 0 GEADRO C[C@@H]1COCCN1CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474882084 532632038 /nfs/dbraw/zinc/63/20/38/532632038.db2.gz YEISFQYGRQRWRB-SNVBAGLBSA-N 1 0 396.219 2.380 20 0 GEADRO Fc1ccc(I)c(F)c1C[NH2+]CCCn1ccnn1 ZINC000474927220 532632832 /nfs/dbraw/zinc/63/28/32/532632832.db2.gz MXDUERYZJWIANW-UHFFFAOYSA-N 1 0 378.164 2.341 20 0 GEADRO CC[C@H]1C[N@H+](C)CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000566969333 532633265 /nfs/dbraw/zinc/63/32/65/532633265.db2.gz GKNAUUIXYSXDKB-LSDHHAIUSA-N 1 0 375.282 2.354 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2c(Br)cnn2C)cc1 ZINC000656790354 532633572 /nfs/dbraw/zinc/63/35/72/532633572.db2.gz PMTJXFACNYJDHX-HOCLYGCPSA-N 1 0 379.302 2.427 20 0 GEADRO CC1(C)CC(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000298195976 532633740 /nfs/dbraw/zinc/63/37/40/532633740.db2.gz CQSLSRDDMOCNSZ-UHFFFAOYSA-N 1 0 387.933 2.044 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000531282673 532633789 /nfs/dbraw/zinc/63/37/89/532633789.db2.gz AJUITGQSUUDCOL-ZDUSSCGKSA-N 1 0 388.331 2.197 20 0 GEADRO C[N@@H+]1CC[C@@H]2OCCN(Cc3nc(-c4ccc(Br)s4)no3)[C@@H]2C1 ZINC000284962483 532634614 /nfs/dbraw/zinc/63/46/14/532634614.db2.gz WKXIQBKSBLPBHA-MNOVXSKESA-N 1 0 399.314 2.466 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000376906498 532635936 /nfs/dbraw/zinc/63/59/36/532635936.db2.gz XZFQLVKADDLNRD-UPJWGTAASA-N 1 0 398.472 2.458 20 0 GEADRO C[C@@H]1C[C@@H](CC(F)(F)F)[C@H](C)N1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632659784 532636455 /nfs/dbraw/zinc/63/64/55/532636455.db2.gz BZNBBCLCANNIKT-ILXRZTDVSA-N 1 0 385.496 2.005 20 0 GEADRO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CS[C@H](C(C)(C)C)C3)CC2)cn1 ZINC000377012627 532636621 /nfs/dbraw/zinc/63/66/21/532636621.db2.gz KZTLGTOBZCQNRF-ZBFHGGJFSA-N 1 0 386.587 2.083 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000531832118 532637286 /nfs/dbraw/zinc/63/72/86/532637286.db2.gz IWMBKSIHKVECBE-AWEZNQCLSA-N 1 0 398.349 2.406 20 0 GEADRO CC1(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000567032985 532637344 /nfs/dbraw/zinc/63/73/44/532637344.db2.gz XHTKPZPPZKJQDZ-CYBMUJFWSA-N 1 0 388.917 2.176 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ncccc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000656878110 532637611 /nfs/dbraw/zinc/63/76/11/532637611.db2.gz XZUZHMGVRRNCMD-RYUDHWBXSA-N 1 0 376.320 2.385 20 0 GEADRO COc1cc(NC(=O)NCCC[N@H+](C)CCN(C)C)ccc1Br ZINC000436519660 532637926 /nfs/dbraw/zinc/63/79/26/532637926.db2.gz RFXZLFARBNUZQW-UHFFFAOYSA-N 1 0 387.322 2.463 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000263786736 532640646 /nfs/dbraw/zinc/64/06/46/532640646.db2.gz RBHQOIYOESGVEH-UHFFFAOYSA-N 1 0 398.301 2.005 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656902972 532642104 /nfs/dbraw/zinc/64/21/04/532642104.db2.gz IQWZTZWOCSVGNO-NSHDSACASA-N 1 0 379.295 2.302 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)CCOc1cccc(I)c1 ZINC000598162081 532642358 /nfs/dbraw/zinc/64/23/58/532642358.db2.gz SXHQWWTYWLKMCF-UHFFFAOYSA-N 1 0 388.249 2.080 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000567166554 532642920 /nfs/dbraw/zinc/64/29/20/532642920.db2.gz DOBGYSJUVVPVGE-PWSUYJOCSA-N 1 0 377.304 2.254 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000567173029 532643108 /nfs/dbraw/zinc/64/31/08/532643108.db2.gz KJZNBHIUMXTWDJ-UHFFFAOYSA-N 1 0 386.265 2.423 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(I)ccc1O ZINC000436743550 532643213 /nfs/dbraw/zinc/64/32/13/532643213.db2.gz HKBMFSFXNQYWKI-LLVKDONJSA-N 1 0 388.249 2.411 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000285065943 532644086 /nfs/dbraw/zinc/64/40/86/532644086.db2.gz OZMUHUXQRRQRTP-LBPRGKRZSA-N 1 0 380.901 2.166 20 0 GEADRO C[C@@H](C(=O)NCC(F)(F)F)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298365528 532644207 /nfs/dbraw/zinc/64/42/07/532644207.db2.gz NIEZFSDPZWLSSS-CABZTGNLSA-N 1 0 383.208 2.481 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC)CC(C)C ZINC000476423871 532644637 /nfs/dbraw/zinc/64/46/37/532644637.db2.gz MTKRMXRREKBVPM-BBWFWOEESA-N 1 0 376.563 2.394 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)CCc1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000656916427 532644865 /nfs/dbraw/zinc/64/48/65/532644865.db2.gz CCVZGJXVTYNERA-GOSISDBHSA-N 1 0 387.977 2.074 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(C)(C)C[NH+](C)C ZINC000532079559 532645206 /nfs/dbraw/zinc/64/52/06/532645206.db2.gz ILARIVRRQMMLDB-LLVKDONJSA-N 1 0 387.933 2.479 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000377535283 532660040 /nfs/dbraw/zinc/66/00/40/532660040.db2.gz DVZKZAKPIZBCPS-GJZGRUSLSA-N 1 0 383.286 2.263 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCCNC(=O)c1ccccc1)c1cccc(Br)c1 ZINC000478957965 532662730 /nfs/dbraw/zinc/66/27/30/532662730.db2.gz JUMOMUBNRRZMGJ-INIZCTEOSA-N 1 0 390.281 2.385 20 0 GEADRO Cc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(Br)c1 ZINC000567785471 532663019 /nfs/dbraw/zinc/66/30/19/532663019.db2.gz PPQMXECDBOUSQW-CQSZACIVSA-N 1 0 390.347 2.118 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000298622747 532663363 /nfs/dbraw/zinc/66/33/63/532663363.db2.gz ZBNAYPOUVQYLNV-HUUCEWRRSA-N 1 0 380.286 2.439 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCN2CCOCC2)CC1 ZINC000533499140 532663940 /nfs/dbraw/zinc/66/39/40/532663940.db2.gz VAUDWPGMTDFPHF-UHFFFAOYSA-N 1 0 396.329 2.432 20 0 GEADRO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526217 532665255 /nfs/dbraw/zinc/66/52/55/532665255.db2.gz HRVDONAWIAUKJI-MFKMUULPSA-N 1 0 386.315 2.460 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1Cl ZINC000285271769 532665436 /nfs/dbraw/zinc/66/54/36/532665436.db2.gz ISILRSVZROTSJW-QWHCGFSZSA-N 1 0 386.901 2.374 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000533711924 532666494 /nfs/dbraw/zinc/66/64/94/532666494.db2.gz DXIWYFLMTDKDPU-MRXNPFEDSA-N 1 0 389.924 2.270 20 0 GEADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCNC[C@@](C)(F)C1 ZINC000567862200 532666629 /nfs/dbraw/zinc/66/66/29/532666629.db2.gz SUPXAGFRWUSFJM-CQSZACIVSA-N 1 0 379.295 2.388 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1c(Br)cnn1C ZINC000633430090 532667586 /nfs/dbraw/zinc/66/75/86/532667586.db2.gz PONYPHWEECQZMZ-UHFFFAOYSA-N 1 0 398.305 2.439 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000567880798 532668161 /nfs/dbraw/zinc/66/81/61/532668161.db2.gz NJZDELIZNSHNGY-RWSFTLGLSA-N 1 0 388.295 2.135 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000567871646 532668230 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COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567351817 532651358 /nfs/dbraw/zinc/65/13/58/532651358.db2.gz CNSQMPSUMRTMLX-IINYFYTJSA-N 1 0 398.859 2.029 20 0 GEADRO O=C(c1cc(Cl)cc(Br)c1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000567383231 532651875 /nfs/dbraw/zinc/65/18/75/532651875.db2.gz RRAALFKMZALDBE-NSHDSACASA-N 1 0 390.684 2.361 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000632955979 532651979 /nfs/dbraw/zinc/65/19/79/532651979.db2.gz SFHSANWLPLAPPU-OAHLLOKOSA-N 1 0 394.273 2.165 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000437242987 532652871 /nfs/dbraw/zinc/65/28/71/532652871.db2.gz ZQXCVCCUUYPXQM-UHFFFAOYSA-N 1 0 383.539 2.464 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000632994466 532654269 /nfs/dbraw/zinc/65/42/69/532654269.db2.gz AYUHLOOMECOORV-LBPRGKRZSA-N 1 0 378.826 2.404 20 0 GEADRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000477658511 532654315 /nfs/dbraw/zinc/65/43/15/532654315.db2.gz HFJXDJAGZQJLCR-HNNXBMFYSA-N 1 0 387.571 2.184 20 0 GEADRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(CNC(C)=O)s1)[NH+](C)C ZINC000298509999 532654624 /nfs/dbraw/zinc/65/46/24/532654624.db2.gz PQVRRDMWPFTTAP-HNNXBMFYSA-N 1 0 375.560 2.029 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)CC(C)(C)C(F)(F)CC)C2)CC1 ZINC000599232910 532655217 /nfs/dbraw/zinc/65/52/17/532655217.db2.gz PQVMRMPUFMIBLO-HNNXBMFYSA-N 1 0 381.533 2.100 20 0 GEADRO CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000477934348 532655532 /nfs/dbraw/zinc/65/55/32/532655532.db2.gz USVUYHFALKLZJJ-SWLSCSKDSA-N 1 0 393.265 2.356 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000285182123 532655623 /nfs/dbraw/zinc/65/56/23/532655623.db2.gz DHWHFVHNARYHPS-OAHLLOKOSA-N 1 0 375.523 2.131 20 0 GEADRO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1ccccc1I ZINC000477928901 532656165 /nfs/dbraw/zinc/65/61/65/532656165.db2.gz GKAFULRYYNRQDJ-OLZOCXBDSA-N 1 0 393.265 2.356 20 0 GEADRO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000633011944 532656240 /nfs/dbraw/zinc/65/62/40/532656240.db2.gz FOBOXUUBJSXEQW-GFCCVEGCSA-N 1 0 395.301 2.390 20 0 GEADRO Cc1sc2nc(C)nc(SCC(=O)NC[C@](C)(O)C[NH+](C)C)c2c1C ZINC000532790128 532656638 /nfs/dbraw/zinc/65/66/38/532656638.db2.gz QUWJABTZONMNHB-KRWDZBQOSA-N 1 0 382.555 2.137 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000532778829 532656913 /nfs/dbraw/zinc/65/69/13/532656913.db2.gz JCBNMGQHYSKKBG-LBPRGKRZSA-N 1 0 396.289 2.142 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599310835 532656969 /nfs/dbraw/zinc/65/69/69/532656969.db2.gz FIZPEJAVYZVAMG-LLVKDONJSA-N 1 0 378.441 2.150 20 0 GEADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)N[C@H]1CC[NH2+]C1 ZINC000567522485 532657038 /nfs/dbraw/zinc/65/70/38/532657038.db2.gz RZUUVDWUMVLBBV-HNNXBMFYSA-N 1 0 382.302 2.158 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1Br ZINC000633007372 532657185 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C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000633038491 532659090 /nfs/dbraw/zinc/65/90/90/532659090.db2.gz YQWRJCLBBHADCL-NKWVEPMBSA-N 1 0 378.629 2.128 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000633036507 532659398 /nfs/dbraw/zinc/65/93/98/532659398.db2.gz LQLLWNQYIDPMRZ-AULYBMBSSA-N 1 0 398.301 2.420 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000633040185 532659515 /nfs/dbraw/zinc/65/95/15/532659515.db2.gz OBOZGAFMZSSZQX-APPZFPTMSA-N 1 0 394.191 2.355 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000264945409 532683761 /nfs/dbraw/zinc/68/37/61/532683761.db2.gz XADOFMPBBSFKIL-UHFFFAOYSA-N 1 0 389.949 2.199 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000378222591 532684317 /nfs/dbraw/zinc/68/43/17/532684317.db2.gz GHKJRUKWGMACCI-LRDDRELGSA-N 1 0 386.901 2.279 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@H](C)S1 ZINC000568691402 532684371 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388.237 2.433 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)Nc2ccncc2I)C1 ZINC000601567571 532685841 /nfs/dbraw/zinc/68/58/41/532685841.db2.gz ZSSDMDNHVBLGJP-SNVBAGLBSA-N 1 0 388.253 2.008 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000568763230 532686386 /nfs/dbraw/zinc/68/63/86/532686386.db2.gz LUJJSLIJOFSVHK-NSHDSACASA-N 1 0 379.766 2.088 20 0 GEADRO CC(C)OC[C@@H](O)C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000567899348 532670644 /nfs/dbraw/zinc/67/06/44/532670644.db2.gz YOJQKTWSSGWYDX-KGLIPLIRSA-N 1 0 378.282 2.115 20 0 GEADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)CSc3nncs3)[C@H](C)C2)s1 ZINC000377786043 532671025 /nfs/dbraw/zinc/67/10/25/532671025.db2.gz GWJQEDLKFHMKOG-ZWNOBZJWSA-N 1 0 383.568 2.422 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000482519780 532671153 /nfs/dbraw/zinc/67/11/53/532671153.db2.gz RYTGPINHDNJMLG-SNVBAGLBSA-N 1 0 389.930 2.310 20 0 GEADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)CSc3nncs3)[C@H](C)C2)s1 ZINC000377786041 532671434 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C[C@H](CN1CC[NH+](C)CC1)NC(=O)/C=C/c1cc(Br)ccc1F ZINC000264431551 532673197 /nfs/dbraw/zinc/67/31/97/532673197.db2.gz MDKMGAQWMBXQQM-VUUYWXRKSA-N 1 0 384.293 2.354 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638787358 532686938 /nfs/dbraw/zinc/68/69/38/532686938.db2.gz GKHQFVFXRWWMJR-GLQYFDAESA-N 1 0 382.302 2.070 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2csc(C(F)(F)F)c2)CCCC1 ZINC000636458028 532675455 /nfs/dbraw/zinc/67/54/55/532675455.db2.gz TYTZNYMEUJQKBE-UHFFFAOYSA-N 1 0 377.432 2.374 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000534996641 532675610 /nfs/dbraw/zinc/67/56/10/532675610.db2.gz YODITCQQSFBULE-CYBMUJFWSA-N 1 0 385.917 2.183 20 0 GEADRO CC(C)[C@@H](O)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000285377772 532675960 /nfs/dbraw/zinc/67/59/60/532675960.db2.gz CKBLJSGZQWAJLV-QGZVFWFLSA-N 1 0 399.329 2.425 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000660835694 532676536 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C[N@H+](CCc1nccs1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638152539 532681651 /nfs/dbraw/zinc/68/16/51/532681651.db2.gz KAVVMGOWFZLHLI-UHFFFAOYSA-N 1 0 390.328 2.228 20 0 GEADRO COCCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000600759603 532681953 /nfs/dbraw/zinc/68/19/53/532681953.db2.gz WTOQFCWTANFLQK-UHFFFAOYSA-N 1 0 382.448 2.435 20 0 GEADRO O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661575901 532682048 /nfs/dbraw/zinc/68/20/48/532682048.db2.gz DBVIHARYIYIKCP-MSOLQXFVSA-N 1 0 399.329 2.128 20 0 GEADRO [NH3+]CCSCc1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000603170669 532691354 /nfs/dbraw/zinc/69/13/54/532691354.db2.gz GAKPHBZWNDQZFC-UHFFFAOYSA-N 1 0 395.286 2.331 20 0 GEADRO CN(CC[NH+]1CCCC1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439429936 532692064 /nfs/dbraw/zinc/69/20/64/532692064.db2.gz HEENYRQOXCPNCU-HNNXBMFYSA-N 1 0 375.282 2.356 20 0 GEADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(I)cc1 ZINC000488722916 532702928 /nfs/dbraw/zinc/70/29/28/532702928.db2.gz HVXPQEBNYJJBIQ-UHFFFAOYSA-N 1 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C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000569498702 532696385 /nfs/dbraw/zinc/69/63/85/532696385.db2.gz ACLAENGHGNWRLM-IPYPFGDCSA-N 1 0 380.432 2.443 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000439588946 532697061 /nfs/dbraw/zinc/69/70/61/532697061.db2.gz PCHRLAPJFFEUQI-CYBMUJFWSA-N 1 0 380.286 2.391 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000439584642 532697232 /nfs/dbraw/zinc/69/72/32/532697232.db2.gz BZMPLAPNISQRHX-HNNXBMFYSA-N 1 0 380.286 2.391 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000439587657 532697604 /nfs/dbraw/zinc/69/76/04/532697604.db2.gz PKAZKAOEQBTXDN-AWEZNQCLSA-N 1 0 380.286 2.391 20 0 GEADRO CCC[C@@]1([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)CCOC1 ZINC000285681934 532698328 /nfs/dbraw/zinc/69/83/28/532698328.db2.gz UWNQADGCBGSAEO-QGZVFWFLSA-N 1 0 398.301 2.053 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000439588947 532698271 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COc1cccc([C@@H](CNC(=O)NCc2n[nH]cc2Br)[NH+](C)C)c1 ZINC000606621862 532702126 /nfs/dbraw/zinc/70/21/26/532702126.db2.gz JVPVHNFQFUQNQR-OAHLLOKOSA-N 1 0 396.289 2.283 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cn(C)cc(Br)c2=O)C[C@@H]1C ZINC000666693138 532702520 /nfs/dbraw/zinc/70/25/20/532702520.db2.gz KIWYGMYPHCCIDQ-NWDGAFQWSA-N 1 0 385.306 2.484 20 0 GEADRO O=C(COc1ccc(Br)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638776571 532687571 /nfs/dbraw/zinc/68/75/71/532687571.db2.gz QXLPPKFPSUQMHP-KRWDZBQOSA-N 1 0 397.313 2.445 20 0 GEADRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cnn3cc(Br)cnc23)cn1 ZINC000639080144 532689474 /nfs/dbraw/zinc/68/94/74/532689474.db2.gz PRUQIWLIQHFESR-LSDHHAIUSA-N 1 0 391.273 2.235 20 0 GEADRO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439314617 532690037 /nfs/dbraw/zinc/69/00/37/532690037.db2.gz GULCJOXWVJZKSW-GFCCVEGCSA-N 1 0 383.286 2.306 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC000569687643 532703989 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Cc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1I ZINC000572641859 532708872 /nfs/dbraw/zinc/70/88/72/532708872.db2.gz DEJHIENCKUBBLQ-UHFFFAOYSA-N 1 0 394.278 2.102 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000572630632 532709097 /nfs/dbraw/zinc/70/90/97/532709097.db2.gz GOXRVDZVDOTISK-WFASDCNBSA-N 1 0 392.301 2.326 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000266243405 532710230 /nfs/dbraw/zinc/71/02/30/532710230.db2.gz AJKDYURTLGGDJL-LBPRGKRZSA-N 1 0 376.320 2.197 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000668372611 532710446 /nfs/dbraw/zinc/71/04/46/532710446.db2.gz MVLJAVNHXJTGSJ-CYBMUJFWSA-N 1 0 399.285 2.061 20 0 GEADRO O=C1CC[C@H]([NH2+]Cc2c(Br)cncc2Br)CCN1 ZINC000396662216 532711780 /nfs/dbraw/zinc/71/17/80/532711780.db2.gz UDJVNQIDLGJBQR-QMMMGPOBSA-N 1 0 377.080 2.365 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)[C@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000643986284 532711850 /nfs/dbraw/zinc/71/18/50/532711850.db2.gz VREGBQIRUDXKKM-LLVKDONJSA-N 1 0 390.228 2.057 20 0 GEADRO COC[C@]1(CNC(=O)N2CCc3ccc(Br)cc3C2)CCC[NH2+]1 ZINC000573786254 532712229 /nfs/dbraw/zinc/71/22/29/532712229.db2.gz OETHBRQKVRLOLN-QGZVFWFLSA-N 1 0 382.302 2.285 20 0 GEADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000440361462 532712301 /nfs/dbraw/zinc/71/23/01/532712301.db2.gz UGJGMHXDWBPHKX-VIFPVBQESA-N 1 0 387.221 2.450 20 0 GEADRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1=O ZINC000608071389 532712483 /nfs/dbraw/zinc/71/24/83/532712483.db2.gz FRQRWLSVKWLZQP-QKCSRTOESA-N 1 0 381.270 2.319 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2sccc2Br)CC1 ZINC000285822218 532712525 /nfs/dbraw/zinc/71/25/25/532712525.db2.gz IEHIJLJBVWAVCK-UHFFFAOYSA-N 1 0 388.331 2.070 20 0 GEADRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1=O ZINC000608071391 532713022 /nfs/dbraw/zinc/71/30/22/532713022.db2.gz FRQRWLSVKWLZQP-SCDSUCTJSA-N 1 0 381.270 2.319 20 0 GEADRO OCCN1CC[NH+](CCCCNc2ncc(Br)cc2Cl)CC1 ZINC000492289344 532713091 /nfs/dbraw/zinc/71/30/91/532713091.db2.gz DVBWCYLIHVZTMU-UHFFFAOYSA-N 1 0 391.741 2.300 20 0 GEADRO NC(=O)C[C@@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)C1CCOCC1 ZINC000538536124 532713312 /nfs/dbraw/zinc/71/33/12/532713312.db2.gz QDQIEWCZHPWLHC-MRXNPFEDSA-N 1 0 395.297 2.485 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000440412468 532713313 /nfs/dbraw/zinc/71/33/13/532713313.db2.gz VIJLKDXMXFPVHD-UHFFFAOYSA-N 1 0 380.388 2.042 20 0 GEADRO COC(=O)Cn1cc(CC[N@H+](C)Cc2ccc(Br)c(F)c2)nn1 ZINC000494294148 532715432 /nfs/dbraw/zinc/71/54/32/532715432.db2.gz WTWWXJAUOLGXRN-UHFFFAOYSA-N 1 0 385.237 2.027 20 0 GEADRO COc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c(Br)cc1O ZINC000645272687 532715781 /nfs/dbraw/zinc/71/57/81/532715781.db2.gz NJNKHNNJHNGUMH-LLVKDONJSA-N 1 0 386.290 2.304 20 0 GEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1coc(Br)c1 ZINC000440501906 532715899 /nfs/dbraw/zinc/71/58/99/532715899.db2.gz FJGIVXXIZXBBHR-QGZVFWFLSA-N 1 0 379.254 2.409 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1c(F)cc(Br)cc1F ZINC000266426275 532719973 /nfs/dbraw/zinc/71/99/73/532719973.db2.gz WHFBLJUVKCHPKK-SNVBAGLBSA-N 1 0 377.233 2.095 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccccc1Br ZINC000670851942 532720212 /nfs/dbraw/zinc/72/02/12/532720212.db2.gz ZCMFCOXVLXUKDV-ZIAGYGMSSA-N 1 0 396.329 2.302 20 0 GEADRO C[N@H+](CCNC(=O)Nc1nc2cc(Br)ccn2n1)C1CCCCC1 ZINC000575331670 532720332 /nfs/dbraw/zinc/72/03/32/532720332.db2.gz CRYVAJMCLXJPEC-UHFFFAOYSA-N 1 0 395.305 2.878 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000440730320 532722082 /nfs/dbraw/zinc/72/20/82/532722082.db2.gz AXZDUZYQQHZOTB-UHFFFAOYSA-N 1 0 376.906 2.128 20 0 GEADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000646118915 532722190 /nfs/dbraw/zinc/72/21/90/532722190.db2.gz LIDIXEMZQQUQPA-DZGCQCFKSA-N 1 0 398.370 2.436 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)C1 ZINC000646140339 532722273 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GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000440861193 532723453 /nfs/dbraw/zinc/72/34/53/532723453.db2.gz RAENFGYMPRTSLN-RKDXNWHRSA-N 1 0 381.267 2.145 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)C1 ZINC000646140336 532723540 /nfs/dbraw/zinc/72/35/40/532723540.db2.gz KZLQSAKKSCDUKA-FZKCQIBNSA-N 1 0 379.444 2.466 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671631948 532723592 /nfs/dbraw/zinc/72/35/92/532723592.db2.gz VNFRTTCSASQBBR-UHFFFAOYSA-N 1 0 377.242 2.216 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000440858972 532723706 /nfs/dbraw/zinc/72/37/06/532723706.db2.gz MFVIDYOAZNCPRY-HNNXBMFYSA-N 1 0 377.869 2.106 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)[C@H](C[NH3+])C1 ZINC000440857421 532723767 /nfs/dbraw/zinc/72/37/67/532723767.db2.gz SVQKWJLFHRQXIL-QWRGUYRKSA-N 1 0 397.722 2.229 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000612985715 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384.249 2.270 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000539217276 532726878 /nfs/dbraw/zinc/72/68/78/532726878.db2.gz JCALBVQUYBGEFK-LBPRGKRZSA-N 1 0 381.885 2.068 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000266841744 532726867 /nfs/dbraw/zinc/72/68/67/532726867.db2.gz PMMUKLJZCXEVKB-UHFFFAOYSA-N 1 0 385.555 2.240 20 0 GEADRO Cn1cc(CC(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)cn1 ZINC000299566506 532727196 /nfs/dbraw/zinc/72/71/96/532727196.db2.gz AFCGDGRMIVARMR-UHFFFAOYSA-N 1 0 392.301 2.116 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CCC2(CC[NH2+]2)CC1 ZINC000576218691 532727815 /nfs/dbraw/zinc/72/78/15/532727815.db2.gz FCUXDPBSSFUESO-UHFFFAOYSA-N 1 0 378.274 2.363 20 0 GEADRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1cccc(I)c1 ZINC000286112341 532729496 /nfs/dbraw/zinc/72/94/96/532729496.db2.gz LRDOFUAAMLVNNQ-BXUZGUMPSA-N 1 0 388.249 2.370 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000539417294 532729669 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/nfs/dbraw/zinc/74/76/76/532747676.db2.gz ZLKHPUBWRAAHOH-XHDPSFHLSA-N 1 0 395.301 2.170 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2OC)C1 ZINC000673824479 532732982 /nfs/dbraw/zinc/73/29/82/532732982.db2.gz MHORIRTWVHGHCX-HNNXBMFYSA-N 1 0 390.933 2.470 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000673822173 532733148 /nfs/dbraw/zinc/73/31/48/532733148.db2.gz BNBHJSXDIFUAOX-UHFFFAOYSA-N 1 0 376.906 2.080 20 0 GEADRO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000539808820 532733860 /nfs/dbraw/zinc/73/38/60/532733860.db2.gz XZEOQXITMXVFPF-TZMCWYRMSA-N 1 0 395.301 2.115 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000673895147 532734012 /nfs/dbraw/zinc/73/40/12/532734012.db2.gz DSWAZIQZLKQXPB-CQSZACIVSA-N 1 0 377.312 2.122 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000673895145 532734484 /nfs/dbraw/zinc/73/44/84/532734484.db2.gz DSWAZIQZLKQXPB-AWEZNQCLSA-N 1 0 377.312 2.122 20 0 GEADRO CS[C@H]1CN(C(=O)c2csc(-c3ncccn3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000614278283 532735708 /nfs/dbraw/zinc/73/57/08/532735708.db2.gz RJEGCLHMIDXNSZ-KBPBESRZSA-N 1 0 375.523 2.252 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000286245709 532736603 /nfs/dbraw/zinc/73/66/03/532736603.db2.gz UXYGZQHJXPUDRC-HNNXBMFYSA-N 1 0 382.302 2.299 20 0 GEADRO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614501481 532736908 /nfs/dbraw/zinc/73/69/08/532736908.db2.gz FMLQRKVQFOVLQN-CYBMUJFWSA-N 1 0 386.721 2.151 20 0 GEADRO C[C@@H]1CCN(CC(=O)Nc2ccccc2I)[C@H](C[NH3+])C1 ZINC000300173534 532737040 /nfs/dbraw/zinc/73/70/40/532737040.db2.gz AQLXQHDGIVZJGE-NEPJUHHUSA-N 1 0 387.265 2.289 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000300175294 532737072 /nfs/dbraw/zinc/73/70/72/532737072.db2.gz FSJFOJRYTGXEOJ-PWSUYJOCSA-N 1 0 377.304 2.206 20 0 GEADRO Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000501127692 532737153 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COC(=O)[C@H](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501228409 532739860 /nfs/dbraw/zinc/73/98/60/532739860.db2.gz QBAKGLUJNWLUFC-GFCCVEGCSA-N 1 0 398.301 2.339 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000501188421 532740060 /nfs/dbraw/zinc/74/00/60/532740060.db2.gz SNAIWVJEGWKFNV-UHFFFAOYSA-N 1 0 391.896 2.400 20 0 GEADRO COC(=O)c1csc([C@@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000286335502 532740071 /nfs/dbraw/zinc/74/00/71/532740071.db2.gz YOTWFSZKYFIXCP-OTYXRUKQSA-N 1 0 377.388 2.369 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000501218321 532740218 /nfs/dbraw/zinc/74/02/18/532740218.db2.gz OZKLFYSZJVIRIL-DZGCQCFKSA-N 1 0 387.571 2.056 20 0 GEADRO CC[N@@H+]1CCN(CC(=O)Nc2ccccc2I)[C@H](C)C1 ZINC000286317138 532740321 /nfs/dbraw/zinc/74/03/21/532740321.db2.gz DEMHGXMCVXRMIO-GFCCVEGCSA-N 1 0 387.265 2.256 20 0 GEADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl ZINC000675819842 532740972 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COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC000268072451 532755053 /nfs/dbraw/zinc/75/50/53/532755053.db2.gz WRRBEDKSXWDOGD-MKBNYLNASA-N 1 0 390.311 2.435 20 0 GEADRO COc1ccc(Br)cc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620481529 532763454 /nfs/dbraw/zinc/76/34/54/532763454.db2.gz FXEHCNOKHSQZAR-AWEZNQCLSA-N 1 0 383.286 2.129 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000286583769 532756468 /nfs/dbraw/zinc/75/64/68/532756468.db2.gz VGCQOMFMKXENHC-UHFFFAOYSA-N 1 0 386.323 2.452 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1F ZINC000286596182 532757384 /nfs/dbraw/zinc/75/73/84/532757384.db2.gz GQHFPCYYMVKRIC-WCQYABFASA-N 1 0 387.297 2.194 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1F ZINC000286596178 532757551 /nfs/dbraw/zinc/75/75/51/532757551.db2.gz GQHFPCYYMVKRIC-DGCLKSJQSA-N 1 0 387.297 2.194 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCCC[NH2+]C(C)C ZINC000581874947 532757636 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C[C@@H]1CN(C(=O)c2cn3ccc(Br)cc3n2)CC[N@@H+]1CC(C)(C)O ZINC000286662531 532761160 /nfs/dbraw/zinc/76/11/60/532761160.db2.gz CRNMORMQSCSQLD-GFCCVEGCSA-N 1 0 395.301 2.014 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cnn(-c2cccc(Br)c2)c1 ZINC000582784795 532762166 /nfs/dbraw/zinc/76/21/66/532762166.db2.gz HGHBZHBAGFILHM-CYBMUJFWSA-N 1 0 385.212 2.362 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)C[C@H](O)C[N@H+](C)CCOC ZINC000583031817 532762549 /nfs/dbraw/zinc/76/25/49/532762549.db2.gz DQDPCLRMEFTSPY-OAHLLOKOSA-N 1 0 377.298 2.349 20 0 GEADRO C[NH+](C)[C@]1(CNCc2ncc(I)s2)CCSC1 ZINC000286453970 532748672 /nfs/dbraw/zinc/74/86/72/532748672.db2.gz JXGHOSBSEAEKBJ-NSHDSACASA-N 1 0 383.324 2.275 20 0 GEADRO C[C@H](NC(=O)C[NH+]1CCC2(CNC(=O)C2)CC1)c1ccc(Br)cc1 ZINC000267636449 532749015 /nfs/dbraw/zinc/74/90/15/532749015.db2.gz HWPAAFBSWHRWQZ-ZDUSSCGKSA-N 1 0 394.313 2.228 20 0 GEADRO C[C@@H](O)C[NH+]1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000444691166 532751353 /nfs/dbraw/zinc/75/13/53/532751353.db2.gz 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532774946 /nfs/dbraw/zinc/77/49/46/532774946.db2.gz STDDLTNSXQEYLI-UHFFFAOYSA-N 1 0 387.709 2.242 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)c1ccc(F)cc1I)C(F)(F)F ZINC000307804578 532776697 /nfs/dbraw/zinc/77/66/97/532776697.db2.gz CFVKHMPLLPAPFN-SECBINFHSA-N 1 0 390.118 2.440 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000453816259 532777285 /nfs/dbraw/zinc/77/72/85/532777285.db2.gz IKCUVYDTQWNLAU-LBPRGKRZSA-N 1 0 388.295 2.203 20 0 GEADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000512273293 532777414 /nfs/dbraw/zinc/77/74/14/532777414.db2.gz ZJDHHBRXNKHJQM-JTQLQIEISA-N 1 0 380.297 2.075 20 0 GEADRO COCC(COC)[NH+]1CCN(CCOc2cccc(Br)c2)CC1 ZINC000411856194 532777764 /nfs/dbraw/zinc/77/77/64/532777764.db2.gz GULGOPJTOYITKA-UHFFFAOYSA-N 1 0 387.318 2.107 20 0 GEADRO Cc1nc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000310790851 532777854 /nfs/dbraw/zinc/77/78/54/532777854.db2.gz DPSCLPILFSEMSE-SWLSCSKDSA-N 1 0 380.539 2.421 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000512270493 532777915 /nfs/dbraw/zinc/77/79/15/532777915.db2.gz MMYCXHHAGRQXAM-DYVFJYSZSA-N 1 0 386.323 2.435 20 0 GEADRO CC(C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000269265757 532778265 /nfs/dbraw/zinc/77/82/65/532778265.db2.gz ZEDKCIZSVPXPQG-CQSZACIVSA-N 1 0 383.290 2.005 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)CCO1 ZINC000512884361 532778651 /nfs/dbraw/zinc/77/86/51/532778651.db2.gz DJKGJAMKECNBCX-CHWSQXEVSA-N 1 0 391.331 2.275 20 0 GEADRO O=S(=O)(NCCC[NH2+]C[C@H]1CCCOC1)c1ccccc1Br ZINC000512874546 532778994 /nfs/dbraw/zinc/77/89/94/532778994.db2.gz PWCIUGFSWOJKTM-CYBMUJFWSA-N 1 0 391.331 2.134 20 0 GEADRO O=S(=O)(c1ccccc1C[NH2+]CC1(C(F)(F)F)CC1)N1CCOCC1 ZINC000512914260 532779186 /nfs/dbraw/zinc/77/91/86/532779186.db2.gz XSKRICOWAMSJMG-UHFFFAOYSA-N 1 0 378.416 2.140 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620478182 532763530 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COC(=O)CNC(=O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509046315 532765875 /nfs/dbraw/zinc/76/58/75/532765875.db2.gz CLMFRNWUJUGABH-UHFFFAOYSA-N 1 0 383.286 2.092 20 0 GEADRO CC1(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC[NH2+]CC1 ZINC000583747442 532766044 /nfs/dbraw/zinc/76/60/44/532766044.db2.gz SOYLQDUNYORJQU-UHFFFAOYSA-N 1 0 385.555 2.042 20 0 GEADRO O=C(NCc1cc(F)cc(Br)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000583747225 532766770 /nfs/dbraw/zinc/76/67/70/532766770.db2.gz QXWKGNWQDTVDON-CYBMUJFWSA-N 1 0 382.237 2.034 20 0 GEADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000583751452 532766785 /nfs/dbraw/zinc/76/67/85/532766785.db2.gz XTKAULIUSMXBMH-OLZOCXBDSA-N 1 0 395.297 2.489 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ncc(Br)cc1Br ZINC000584226526 532767808 /nfs/dbraw/zinc/76/78/08/532767808.db2.gz QZNAXYUCXUKGFH-JGVFFNPUSA-N 1 0 377.080 2.416 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccc(Cl)cc3Br)C[C@@H]21 ZINC000451630883 532769178 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C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000412097906 532786010 /nfs/dbraw/zinc/78/60/10/532786010.db2.gz ZOAURBHVFKJLSU-CABCVRRESA-N 1 0 399.329 2.379 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000287253039 532788274 /nfs/dbraw/zinc/78/82/74/532788274.db2.gz HJZXXFRNTHAVSM-ABAIWWIYSA-N 1 0 382.511 2.071 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(CCOc1ccc(Br)cc1)C2=O ZINC000325281635 532788861 /nfs/dbraw/zinc/78/88/61/532788861.db2.gz PGPBBUCUNMBDLD-SJCJKPOMSA-N 1 0 396.285 2.267 20 0 GEADRO C[C@@H]1CSCCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000287295694 532790329 /nfs/dbraw/zinc/79/03/29/532790329.db2.gz ZSHBDLSXZFPUAQ-HUUCEWRRSA-N 1 0 381.567 2.040 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1 ZINC000326781479 532790959 /nfs/dbraw/zinc/79/09/59/532790959.db2.gz NRXZBPSZWUSVDF-INIZCTEOSA-N 1 0 383.897 2.411 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)c1cnc2ccc(I)cc2c1O ZINC000287313840 532791209 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QOWMBEPOYINRON-UHFFFAOYSA-N 1 0 384.318 2.404 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccnc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000287446533 532796298 /nfs/dbraw/zinc/79/62/98/532796298.db2.gz QUUKXVMIWMEDSH-RYUDHWBXSA-N 1 0 395.472 2.301 20 0 GEADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000514241763 532780624 /nfs/dbraw/zinc/78/06/24/532780624.db2.gz NHYOIECORBOWHG-NEPJUHHUSA-N 1 0 392.315 2.400 20 0 GEADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000514241766 532780827 /nfs/dbraw/zinc/78/08/27/532780827.db2.gz NHYOIECORBOWHG-VXGBXAGGSA-N 1 0 392.315 2.400 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(I)cn2)C1 ZINC000455988160 532780817 /nfs/dbraw/zinc/78/08/17/532780817.db2.gz LSPYMTSUXJPNHH-RISCZKNCSA-N 1 0 385.249 2.243 20 0 GEADRO CC[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1)[NH+](C)C ZINC000456485916 532781670 /nfs/dbraw/zinc/78/16/70/532781670.db2.gz HXVAQUIOLHSQCH-ZFWWWQNUSA-N 1 0 387.318 2.065 20 0 GEADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000544347391 532781781 /nfs/dbraw/zinc/78/17/81/532781781.db2.gz GIHDRNUFPHEVDK-UHFFFAOYSA-N 1 0 375.922 2.181 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000514975165 532781824 /nfs/dbraw/zinc/78/18/24/532781824.db2.gz LARDANUIDJNVPX-CYBMUJFWSA-N 1 0 377.913 2.319 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCC(C)(C)S(C)(=O)=O)C1 ZINC000413118063 532806640 /nfs/dbraw/zinc/80/66/40/532806640.db2.gz YUVWHIYCPMJFDY-IYBDPMFKSA-N 1 0 375.579 2.257 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(F)cc1NS(C)(=O)=O ZINC000271502675 532807504 /nfs/dbraw/zinc/80/75/04/532807504.db2.gz LDCZFSCQYRYDBG-UHFFFAOYSA-N 1 0 377.507 2.211 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)c(C)nc3OC)[C@H]2C1 ZINC000329561750 532808638 /nfs/dbraw/zinc/80/86/38/532808638.db2.gz ROBSCHINZOUOGQ-LSDHHAIUSA-N 1 0 398.301 2.096 20 0 GEADRO CN(CC[NH2+]C1CCN(c2ccccn2)CC1)S(=O)(=O)c1cccs1 ZINC000271562907 532809077 /nfs/dbraw/zinc/80/90/77/532809077.db2.gz XDPYAODRKVYZNB-UHFFFAOYSA-N 1 0 380.539 2.022 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000287792656 532809332 /nfs/dbraw/zinc/80/93/32/532809332.db2.gz IYCCVSRFPCZTPX-GXTWGEPZSA-N 1 0 397.317 2.012 20 0 GEADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2nnc(SC)s2)cc1 ZINC000287797994 532809983 /nfs/dbraw/zinc/80/99/83/532809983.db2.gz UDCRJJWPJICBEX-CYBMUJFWSA-N 1 0 381.527 2.371 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551140201 532799023 /nfs/dbraw/zinc/79/90/23/532799023.db2.gz ONSDFROJYLSLMN-HOTGVXAUSA-N 1 0 384.307 2.395 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(F)cc1Br ZINC000287549940 532799526 /nfs/dbraw/zinc/79/95/26/532799526.db2.gz JBFKPUYYYNNOBD-LBPRGKRZSA-N 1 0 396.260 2.308 20 0 GEADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(I)c1 ZINC000551590410 532800661 /nfs/dbraw/zinc/80/06/61/532800661.db2.gz CCPSEVMWNAKBNY-CABCVRRESA-N 1 0 391.249 2.201 20 0 GEADRO COc1cc(NC(=O)CN2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(OC)cc1Cl ZINC000270659656 532800731 /nfs/dbraw/zinc/80/07/31/532800731.db2.gz OIMFHYHLFFAFRH-CZUORRHYSA-N 1 0 387.933 2.273 20 0 GEADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000551574486 532801209 /nfs/dbraw/zinc/80/12/09/532801209.db2.gz JSTRKIPCWLQDEE-LLVKDONJSA-N 1 0 394.306 2.049 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000270814455 532801601 /nfs/dbraw/zinc/80/16/01/532801601.db2.gz XINOSHYIAPIXRL-AWEZNQCLSA-N 1 0 393.285 2.000 20 0 GEADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000329177770 532803752 /nfs/dbraw/zinc/80/37/52/532803752.db2.gz NFQZZKMSFOJPJI-KRWDZBQOSA-N 1 0 385.961 2.318 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000329203900 532803779 /nfs/dbraw/zinc/80/37/79/532803779.db2.gz CXPDVYIDHNBZCK-OCCSQVGLSA-N 1 0 386.901 2.359 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(Br)cs1)CCO2 ZINC000272101393 532812907 /nfs/dbraw/zinc/81/29/07/532812907.db2.gz VPMAYKVWFKWTBK-DGCLKSJQSA-N 1 0 380.329 2.337 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(Cl)c1OC ZINC000272095140 532813273 /nfs/dbraw/zinc/81/32/73/532813273.db2.gz UMJIIUCDAUQZTF-GUYCJALGSA-N 1 0 389.901 2.183 20 0 GEADRO CC(C)n1ncc2cc(S(=O)(=O)NC[C@]3([NH+](C)C)CCSC3)ccc21 ZINC000556672349 532811705 /nfs/dbraw/zinc/81/17/05/532811705.db2.gz NKXMBJMBWBRILQ-QGZVFWFLSA-N 1 0 382.555 2.333 20 0 GEADRO C[C@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)C[NH+]1CCCCC1 ZINC000556664910 532811787 /nfs/dbraw/zinc/81/17/87/532811787.db2.gz BIVUMPDKPMVCJA-GFCCVEGCSA-N 1 0 395.305 2.735 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1Br ZINC000272395990 532815316 /nfs/dbraw/zinc/81/53/16/532815316.db2.gz YQOQUPWRGUBBPA-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000413724771 532814193 /nfs/dbraw/zinc/81/41/93/532814193.db2.gz JOLRMRXFEBPIEC-KGLIPLIRSA-N 1 0 384.318 2.354 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1 ZINC000413793240 532814626 /nfs/dbraw/zinc/81/46/26/532814626.db2.gz AELVMBPXNYHPRS-OAHLLOKOSA-N 1 0 384.318 2.092 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cnc1Br ZINC000288112487 532817709 /nfs/dbraw/zinc/81/77/09/532817709.db2.gz JOARWMIEFSUZKK-GXTWGEPZSA-N 1 0 395.301 2.176 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272489382 532816257 /nfs/dbraw/zinc/81/62/57/532816257.db2.gz VXGRDDQHVKKXOO-MLGOLLRUSA-N 1 0 375.897 2.182 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccsc1Br ZINC000288084286 532816779 /nfs/dbraw/zinc/81/67/79/532816779.db2.gz VZIGJODREWDELT-GFCCVEGCSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H](NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000272686009 532816875 /nfs/dbraw/zinc/81/68/75/532816875.db2.gz BPHSBVFMBRBHSC-ZDUSSCGKSA-N 1 0 385.917 2.063 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000288144837 532818491 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COc1ccc([C@H](CO)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414192722 532820368 /nfs/dbraw/zinc/82/03/68/532820368.db2.gz SWVUUNMMFWPUCB-HIFRSBDPSA-N 1 0 395.297 2.374 20 0 GEADRO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)Cn1ccnn1 ZINC000414196768 532820481 /nfs/dbraw/zinc/82/04/81/532820481.db2.gz VHIXYIXTAQZZJB-SJORKVTESA-N 1 0 395.301 2.159 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000414060164 532818197 /nfs/dbraw/zinc/81/81/97/532818197.db2.gz APMYFJASJNGIJQ-HIFRSBDPSA-N 1 0 390.281 2.394 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C)cc1Br ZINC000330516550 532820918 /nfs/dbraw/zinc/82/09/18/532820918.db2.gz WRYCMQRHDGZYBF-CYBMUJFWSA-N 1 0 391.331 2.147 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000330566115 532821155 /nfs/dbraw/zinc/82/11/55/532821155.db2.gz AONYZVVJIFACOC-CHWSQXEVSA-N 1 0 382.302 2.120 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000414248863 532821219 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GEADRO C[C@@H]1[C@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000330621262 532823120 /nfs/dbraw/zinc/82/31/20/532823120.db2.gz BHZRIYLIWNRQAK-OLZOCXBDSA-N 1 0 382.302 2.120 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1Cl ZINC000330639338 532823188 /nfs/dbraw/zinc/82/31/88/532823188.db2.gz HDXZYAGLDGCQLZ-AWEZNQCLSA-N 1 0 385.917 2.412 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)C(F)(F)F ZINC000288285327 532823295 /nfs/dbraw/zinc/82/32/95/532823295.db2.gz DXELUMCQFCEEJV-LLVKDONJSA-N 1 0 375.416 2.241 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414381233 532823417 /nfs/dbraw/zinc/82/34/17/532823417.db2.gz MPULEBGLYHMMLU-HOTGVXAUSA-N 1 0 385.599 2.142 20 0 GEADRO C[C@@H](CNC(=O)c1nc2ccc(Br)cn2n1)[N@@H+]1CCCC[C@@H]1C ZINC000414404471 532824941 /nfs/dbraw/zinc/82/49/41/532824941.db2.gz IEIQQKRUOZVJAO-RYUDHWBXSA-N 1 0 380.290 2.485 20 0 GEADRO C[C@@H](CNC(=O)c1nc2ccc(Br)cn2n1)C[NH+]1CCCCC1 ZINC000414417377 532825569 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GEADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000288450817 532827693 /nfs/dbraw/zinc/82/76/93/532827693.db2.gz DANMDJHVBVQVAL-GXFFZTMASA-N 1 0 390.299 2.133 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cn1)C[NH+]1CCCCC1 ZINC000330908024 532829990 /nfs/dbraw/zinc/82/99/90/532829990.db2.gz WPMVZXNXOFDUQT-LBPRGKRZSA-N 1 0 376.320 2.244 20 0 GEADRO COc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)ccc1Br ZINC000414469097 532830287 /nfs/dbraw/zinc/83/02/87/532830287.db2.gz ZQBFJSJJEMMLGJ-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000330881695 532828909 /nfs/dbraw/zinc/82/89/09/532828909.db2.gz ZNTYDWPAHRURNT-XJKSGUPXSA-N 1 0 396.329 2.366 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000288493305 532829213 /nfs/dbraw/zinc/82/92/13/532829213.db2.gz AROFTIQTQLOQBO-UONOGXRCSA-N 1 0 393.242 2.313 20 0 GEADRO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000330900153 532829292 /nfs/dbraw/zinc/82/92/92/532829292.db2.gz AHEKAZVKSFMTEK-NSHDSACASA-N 1 0 381.420 2.164 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CC[N@@H+]1C ZINC000330902175 532829378 /nfs/dbraw/zinc/82/93/78/532829378.db2.gz KWRATGNKRKOMSS-QWRGUYRKSA-N 1 0 388.331 2.182 20 0 GEADRO Cc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1C[NH+](C)C ZINC000414467805 532829492 /nfs/dbraw/zinc/82/94/92/532829492.db2.gz ZTXCILHSACROJT-UHFFFAOYSA-N 1 0 382.507 2.261 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000414466014 532829519 /nfs/dbraw/zinc/82/95/19/532829519.db2.gz SZAJCQZWDJVIGG-CYBMUJFWSA-N 1 0 390.933 2.468 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)ccc1Br ZINC000414464736 532829620 /nfs/dbraw/zinc/82/96/20/532829620.db2.gz OEOYDFXLQRBRIF-STQMWFEESA-N 1 0 377.304 2.219 20 0 GEADRO O=C(Nc1ccncc1I)N1CC[NH+](CC2CC2)CC1 ZINC000273652786 532829630 /nfs/dbraw/zinc/82/96/30/532829630.db2.gz BFCQEBQWTRZYGN-UHFFFAOYSA-N 1 0 386.237 2.246 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2CNC(=O)C2)cc(Br)c1OC(F)F ZINC000414484042 532830994 /nfs/dbraw/zinc/83/09/94/532830994.db2.gz NLGGQGMQOWPEQI-SECBINFHSA-N 1 0 379.201 2.285 20 0 GEADRO CO[C@@H]1CCN(C(=O)Nc2ccccc2I)[C@@H](C[NH3+])C1 ZINC000414662370 532834278 /nfs/dbraw/zinc/83/42/78/532834278.db2.gz PYWSJHPFMHAIQE-GHMZBOCLSA-N 1 0 389.237 2.261 20 0 GEADRO C[N@H+](CCn1cc(Br)cn1)C[C@H](O)COCc1ccccc1F ZINC000288671906 532834423 /nfs/dbraw/zinc/83/44/23/532834423.db2.gz CHLXGTNZDOGBKZ-HNNXBMFYSA-N 1 0 386.265 2.294 20 0 GEADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCC(F)(F)CN)CC1 ZINC000414732040 532834728 /nfs/dbraw/zinc/83/47/28/532834728.db2.gz UGYYWWJJSWIZIH-UHFFFAOYSA-N 1 0 375.851 2.197 20 0 GEADRO CCOC(=O)C1CCC(O)(C[N@H+](C)CCn2cc(Br)cn2)CC1 ZINC000288636502 532833445 /nfs/dbraw/zinc/83/34/45/532833445.db2.gz AFKISJBUDFCNTI-UHFFFAOYSA-N 1 0 388.306 2.062 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000331146121 532833928 /nfs/dbraw/zinc/83/39/28/532833928.db2.gz NNDBINOBVPTEEB-INIZCTEOSA-N 1 0 396.329 2.368 20 0 GEADRO C[C@]1(CO)CCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000331195872 532835896 /nfs/dbraw/zinc/83/58/96/532835896.db2.gz YCZQXNSBMQEWOO-LSDHHAIUSA-N 1 0 376.316 2.364 20 0 GEADRO COc1cc(CN[C@@H]2C[NH2+]CC[C@H]2C)cc(I)c1OC ZINC000414928667 532835917 /nfs/dbraw/zinc/83/59/17/532835917.db2.gz NDPFPIQFZAOBLB-ZWNOBZJWSA-N 1 0 390.265 2.396 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414924822 532835942 /nfs/dbraw/zinc/83/59/42/532835942.db2.gz HQPUUFNIDJMEGC-ZDUSSCGKSA-N 1 0 383.290 2.241 20 0 GEADRO CC(C)N(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000331236520 532836106 /nfs/dbraw/zinc/83/61/06/532836106.db2.gz HMZLTXBOUVZDSM-UHFFFAOYSA-N 1 0 397.317 2.361 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000331232057 532836243 /nfs/dbraw/zinc/83/62/43/532836243.db2.gz JGWBLBQRDNTQSZ-LBPRGKRZSA-N 1 0 398.301 2.196 20 0 GEADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)NC1CC[NH2+]CC1 ZINC000414925707 532836348 /nfs/dbraw/zinc/83/63/48/532836348.db2.gz JGCYXNHPBRVBFW-UHFFFAOYSA-N 1 0 383.290 2.159 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414931029 532836354 /nfs/dbraw/zinc/83/63/54/532836354.db2.gz QQEMSFAMICYGRU-KRWDZBQOSA-N 1 0 397.317 2.488 20 0 GEADRO CSC[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414980195 532836499 /nfs/dbraw/zinc/83/64/99/532836499.db2.gz PIDWPNYTOQJPIM-ZDUSSCGKSA-N 1 0 375.416 2.457 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)N(C)C[C@H](O)C[NH3+] ZINC000414780867 532835286 /nfs/dbraw/zinc/83/52/86/532835286.db2.gz UMJOHECPSRDSIU-SECBINFHSA-N 1 0 380.670 2.285 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000414897653 532835578 /nfs/dbraw/zinc/83/55/78/532835578.db2.gz FETYUKUEFUEOII-GFCCVEGCSA-N 1 0 383.290 2.076 20 0 GEADRO Cn1c(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)nc2cc(Cl)ccc21 ZINC000414991635 532836740 /nfs/dbraw/zinc/83/67/40/532836740.db2.gz SPFKKLQJZGFMAH-AWEZNQCLSA-N 1 0 375.826 2.152 20 0 GEADRO COc1c(Cl)cccc1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415024452 532836913 /nfs/dbraw/zinc/83/69/13/532836913.db2.gz YPVLJLFOJZBECX-GFCCVEGCSA-N 1 0 380.798 2.306 20 0 GEADRO Cn1c(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)nc2ccc(Cl)cc21 ZINC000414996112 532836997 /nfs/dbraw/zinc/83/69/97/532836997.db2.gz XBMKOZXRYQBCMW-AWEZNQCLSA-N 1 0 375.826 2.152 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000415076657 532837434 /nfs/dbraw/zinc/83/74/34/532837434.db2.gz SDMRFOVBWKHQJE-NOZJJQNGSA-N 1 0 389.237 2.419 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(OC)ccc1I ZINC000415069772 532837475 /nfs/dbraw/zinc/83/74/75/532837475.db2.gz HELJHNFSBBBKRD-SECBINFHSA-N 1 0 377.226 2.419 20 0 GEADRO COc1ccc(I)c(NC(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000415069504 532837488 /nfs/dbraw/zinc/83/74/88/532837488.db2.gz GTVVSSRAIKFXRR-NSHDSACASA-N 1 0 375.210 2.159 20 0 GEADRO COc1ccc(I)c(NC(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000415069503 532837545 /nfs/dbraw/zinc/83/75/45/532837545.db2.gz GTVVSSRAIKFXRR-LLVKDONJSA-N 1 0 375.210 2.159 20 0 GEADRO Cc1c(Br)cccc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415092047 532838190 /nfs/dbraw/zinc/83/81/90/532838190.db2.gz DZYKYCUFTFYMQE-LBPRGKRZSA-N 1 0 383.290 2.076 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@@H]1C[NH2+]CCO1 ZINC000415091032 532838198 /nfs/dbraw/zinc/83/81/98/532838198.db2.gz BMQCOGJSOCIAER-INIZCTEOSA-N 1 0 379.302 2.330 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCS1 ZINC000415174939 532838640 /nfs/dbraw/zinc/83/86/40/532838640.db2.gz BPIWHQYEDAKFLW-SNVBAGLBSA-N 1 0 375.416 2.457 20 0 GEADRO CN(c1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1)C1CC[NH+](C)CC1 ZINC000097207809 209241854 /nfs/dbraw/zinc/24/18/54/209241854.db2.gz VFJUXFOEFNDXSE-UHFFFAOYSA-N 1 0 391.475 2.477 20 0 GEADRO O=C1N[C@@H]2CN(Cc3cc(Br)cs3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141390 532838767 /nfs/dbraw/zinc/83/87/67/532838767.db2.gz PDBHPSSMAOTNCF-CABCVRRESA-N 1 0 399.358 2.231 20 0 GEADRO O=C1N[C@@H]2CN(Cc3sccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415136496 532838986 /nfs/dbraw/zinc/83/89/86/532838986.db2.gz HOTQHRXIKPMSBZ-ZIAGYGMSSA-N 1 0 399.358 2.231 20 0 GEADRO Cn1cc([C@H](O)CNC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000359999521 209213476 /nfs/dbraw/zinc/21/34/76/209213476.db2.gz ZLTSRICZOOQELF-CWJKEVGVSA-N 1 0 397.523 2.053 20 0 GEADRO c1nc([C@H]2CCCO2)sc1C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000359997563 209211685 /nfs/dbraw/zinc/21/16/85/209211685.db2.gz VAFOCGFRFGRDPF-GOEBONIOSA-N 1 0 399.524 2.439 20 0 GEADRO CCCCO[C@H](C)C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000359996408 209211354 /nfs/dbraw/zinc/21/13/54/209211354.db2.gz GSXLMCYTZQXYHN-QGZVFWFLSA-N 1 0 381.561 2.373 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCSc2ccc(F)cc2)CC1 ZINC000359932716 209203287 /nfs/dbraw/zinc/20/32/87/209203287.db2.gz CJVZBNMJJQPCSC-QGZVFWFLSA-N 1 0 379.501 2.249 20 0 GEADRO Cn1cc([C@H]([NH2+]C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cn1 ZINC000359905089 209201127 /nfs/dbraw/zinc/20/11/27/209201127.db2.gz UVKZGYIYCFYXQV-RTWAWAEBSA-N 1 0 399.516 2.410 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)Cc3cc(C)n[nH]3)CC2)cc1 ZINC000359899518 209200658 /nfs/dbraw/zinc/20/06/58/209200658.db2.gz NGZYTPYMYWMMJY-AWEZNQCLSA-N 1 0 392.525 2.101 20 0 GEADRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000359864309 209196459 /nfs/dbraw/zinc/19/64/59/209196459.db2.gz BMEMJYZYKNVSHX-CQSZACIVSA-N 1 0 377.435 2.308 20 0 GEADRO O=C(Nc1cc(F)c(F)cc1I)N[C@@H]1CCC[NH2+]C1 ZINC000415235992 532839493 /nfs/dbraw/zinc/83/94/93/532839493.db2.gz DZNWSMPAZFJXST-SSDOTTSWSA-N 1 0 381.164 2.443 20 0 GEADRO COc1ccccc1COC[C@@H](O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000288831924 532839580 /nfs/dbraw/zinc/83/95/80/532839580.db2.gz NYKOGYNJWIODPL-INIZCTEOSA-N 1 0 398.301 2.164 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N(CC[NH3+])Cc2ccccc2)c1=O ZINC000415250248 532839763 /nfs/dbraw/zinc/83/97/63/532839763.db2.gz GTJZHFSLEOBALY-UHFFFAOYSA-N 1 0 379.258 2.141 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000415266690 532840017 /nfs/dbraw/zinc/84/00/17/532840017.db2.gz LQMNBIBXCCXTFS-UHFFFAOYSA-N 1 0 384.274 2.125 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)C[C@@H]1[NH3+] ZINC000331458038 532840255 /nfs/dbraw/zinc/84/02/55/532840255.db2.gz AXFDYLKGAIZGGX-WKPIXPDZSA-N 1 0 398.276 2.057 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000415284914 532840320 /nfs/dbraw/zinc/84/03/20/532840320.db2.gz QMFOUXHOVLVYRA-GFCCVEGCSA-N 1 0 382.302 2.408 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000415278955 532840388 /nfs/dbraw/zinc/84/03/88/532840388.db2.gz HOSGETVPDNTIQK-UHFFFAOYSA-N 1 0 378.629 2.130 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000331467936 532840446 /nfs/dbraw/zinc/84/04/46/532840446.db2.gz HVWLXVDFGILQGR-UHFFFAOYSA-N 1 0 387.571 2.431 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000415279196 532840455 /nfs/dbraw/zinc/84/04/55/532840455.db2.gz HLLAEAIWKNCOTR-SNVBAGLBSA-N 1 0 375.803 2.338 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000415274730 532840500 /nfs/dbraw/zinc/84/05/00/532840500.db2.gz ACEJWWGUMIUTHI-CYBMUJFWSA-N 1 0 382.302 2.462 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C[C@@H]1[NH3+] ZINC000331458031 532840485 /nfs/dbraw/zinc/84/04/85/532840485.db2.gz AXFDYLKGAIZGGX-ONERCXAPSA-N 1 0 398.276 2.057 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000415284593 532840594 /nfs/dbraw/zinc/84/05/94/532840594.db2.gz QCBPLXZMKINKTF-ZDUSSCGKSA-N 1 0 382.302 2.462 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000288871379 532840928 /nfs/dbraw/zinc/84/09/28/532840928.db2.gz QSTJOBXOJRPUND-NSHDSACASA-N 1 0 385.306 2.328 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415299723 532840975 /nfs/dbraw/zinc/84/09/75/532840975.db2.gz ZXQHMDFGMNOCTK-UHFFFAOYSA-N 1 0 384.274 2.174 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCCC[N@H+]3CCCC[C@H]3C)cnc2c1Cl ZINC000331559158 532841244 /nfs/dbraw/zinc/84/12/44/532841244.db2.gz JFVKZIBUOGNCNE-GFCCVEGCSA-N 1 0 385.921 2.234 20 0 GEADRO Cc1cc(C)c(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(Br)c1 ZINC000415314190 532841277 /nfs/dbraw/zinc/84/12/77/532841277.db2.gz JEIXNBHPOZVXLN-ZDUSSCGKSA-N 1 0 397.317 2.385 20 0 GEADRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)C(=O)N1CCC[NH2+]CC1 ZINC000415316490 532841291 /nfs/dbraw/zinc/84/12/91/532841291.db2.gz JVLMXRGETITQJP-UHFFFAOYSA-N 1 0 379.766 2.042 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000331542906 532841451 /nfs/dbraw/zinc/84/14/51/532841451.db2.gz QRTKGPQTIKBZGM-HZMBPMFUSA-N 1 0 389.315 2.219 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000067270979 209138834 /nfs/dbraw/zinc/13/88/34/209138834.db2.gz YUTYCVNEENWLIY-HKUYNNGSSA-N 1 0 393.553 2.076 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415352210 532842113 /nfs/dbraw/zinc/84/21/13/532842113.db2.gz ARDVHRRZKKOHBG-MRVPVSSYSA-N 1 0 392.656 2.391 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[C@H]1CCC[NH2+]C1 ZINC000415346887 532842133 /nfs/dbraw/zinc/84/21/33/532842133.db2.gz CMBMMRIJOCEEKK-RISCZKNCSA-N 1 0 394.313 2.381 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000415351860 532842188 /nfs/dbraw/zinc/84/21/88/532842188.db2.gz KECLHDUMADPSPX-IUCAKERBSA-N 1 0 390.228 2.170 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000415346880 532842279 /nfs/dbraw/zinc/84/22/79/532842279.db2.gz CKUFHYPGXKTLTF-UHFFFAOYSA-N 1 0 376.201 2.052 20 0 GEADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cnn(C)c2Br)CC1 ZINC000274156974 532842446 /nfs/dbraw/zinc/84/24/46/532842446.db2.gz GQUMBSSCQVHHKC-UHFFFAOYSA-N 1 0 381.278 2.288 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415359545 532842603 /nfs/dbraw/zinc/84/26/03/532842603.db2.gz YPUDRXYSVVHKJS-QWRGUYRKSA-N 1 0 386.265 2.339 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415361420 532842630 /nfs/dbraw/zinc/84/26/30/532842630.db2.gz NBQVEWVZFYQXKB-JTQLQIEISA-N 1 0 375.803 2.133 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415354198 532842664 /nfs/dbraw/zinc/84/26/64/532842664.db2.gz DKUWYSVZMDHDQM-SECBINFHSA-N 1 0 398.179 2.458 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415353298 532842696 /nfs/dbraw/zinc/84/26/96/532842696.db2.gz LLHLGCPLBWRYIK-RYUDHWBXSA-N 1 0 398.301 2.291 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000415369595 532842963 /nfs/dbraw/zinc/84/29/63/532842963.db2.gz BWZPOOBYSJNDID-LLVKDONJSA-N 1 0 375.416 2.456 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415370031 532843204 /nfs/dbraw/zinc/84/32/04/532843204.db2.gz DDJWTJFKHSFPEL-LLVKDONJSA-N 1 0 391.269 2.146 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415384894 532843321 /nfs/dbraw/zinc/84/33/21/532843321.db2.gz AHNZFRUVHNKYQV-LLVKDONJSA-N 1 0 391.269 2.052 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415384993 532843488 /nfs/dbraw/zinc/84/34/88/532843488.db2.gz AMAZPBJJSDGSEP-GFCCVEGCSA-N 1 0 398.301 2.291 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000288965988 532843534 /nfs/dbraw/zinc/84/35/34/532843534.db2.gz WUGBPLSFNBWQSJ-GOOCMWNKSA-N 1 0 384.322 2.302 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415394342 532844021 /nfs/dbraw/zinc/84/40/21/532844021.db2.gz MGGZFSWUHKNFBL-NSHDSACASA-N 1 0 378.885 2.470 20 0 GEADRO CCCN(C(=O)C(=O)Nc1c(F)ccc(C)c1Br)[C@@H]1CC[NH2+]C1 ZINC000415400408 532844166 /nfs/dbraw/zinc/84/41/66/532844166.db2.gz ZKIYEGCHYQVVPV-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c1Br ZINC000415403116 532844360 /nfs/dbraw/zinc/84/43/60/532844360.db2.gz JQHIMHHLKIJQLT-LLVKDONJSA-N 1 0 386.265 2.341 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000415408130 532844464 /nfs/dbraw/zinc/84/44/64/532844464.db2.gz ZGKICQLTLUMADV-UHFFFAOYSA-N 1 0 388.693 2.499 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415407790 532844392 /nfs/dbraw/zinc/84/43/92/532844392.db2.gz GKUJOBBENXEOHD-GFCCVEGCSA-N 1 0 398.301 2.211 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000415403458 532844521 /nfs/dbraw/zinc/84/45/21/532844521.db2.gz KGAPGBYRWPLCJC-INIZCTEOSA-N 1 0 382.258 2.453 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415434198 532845435 /nfs/dbraw/zinc/84/54/35/532845435.db2.gz HKFKBRORTXBCMV-MNOVXSKESA-N 1 0 386.265 2.421 20 0 GEADRO CN(C(=O)Nc1cc(Br)c(=O)n(C)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289039223 532845493 /nfs/dbraw/zinc/84/54/93/532845493.db2.gz KCDSVEYSIGGXAI-FUNVUKJBSA-N 1 0 383.290 2.237 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415435639 532845520 /nfs/dbraw/zinc/84/55/20/532845520.db2.gz JLLPBFZFJVNGOY-WDEREUQCSA-N 1 0 386.265 2.421 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1nnnn1-c1ccccc1Br ZINC000331832524 532845546 /nfs/dbraw/zinc/84/55/46/532845546.db2.gz BLHHOQAQUCCLQS-HNNXBMFYSA-N 1 0 379.306 2.197 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cc2)n1 ZINC000415436491 532845626 /nfs/dbraw/zinc/84/56/26/532845626.db2.gz OGYGGGZKYWJOGL-NSHDSACASA-N 1 0 376.507 2.362 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000289055087 532845761 /nfs/dbraw/zinc/84/57/61/532845761.db2.gz NIEJFNXFJLYBPH-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415446539 532845776 /nfs/dbraw/zinc/84/57/76/532845776.db2.gz PLYWYUPXGJMGRS-RISCZKNCSA-N 1 0 394.313 2.462 20 0 GEADRO Cc1c(Br)cc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c(=O)n1C ZINC000331870827 532845793 /nfs/dbraw/zinc/84/57/93/532845793.db2.gz BFFADJVXVFVXGV-LBPRGKRZSA-N 1 0 384.318 2.451 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415446528 532845798 /nfs/dbraw/zinc/84/57/98/532845798.db2.gz PLYWYUPXGJMGRS-BXUZGUMPSA-N 1 0 394.313 2.462 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000415461714 532846257 /nfs/dbraw/zinc/84/62/57/532846257.db2.gz OILKCWWAFCUHSK-CQSZACIVSA-N 1 0 380.901 2.425 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415445848 532845977 /nfs/dbraw/zinc/84/59/77/532845977.db2.gz SSXXBAMKLLMZGJ-IUCAKERBSA-N 1 0 390.228 2.252 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC[C@H]1[NH3+] ZINC000415450789 532846035 /nfs/dbraw/zinc/84/60/35/532846035.db2.gz KIBPCNUDJPZBLO-GXSJLCMTSA-N 1 0 375.416 2.317 20 0 GEADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)Nc1nc2c(s1)CSCC2 ZINC000415455800 532846587 /nfs/dbraw/zinc/84/65/87/532846587.db2.gz USLCDMMEVNFZFB-UHFFFAOYSA-N 1 0 382.555 2.300 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC[NH2+]1 ZINC000415482926 532846977 /nfs/dbraw/zinc/84/69/77/532846977.db2.gz MACGZHAPQCTOMT-JQWIXIFHSA-N 1 0 379.262 2.292 20 0 GEADRO COc1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1OC(F)F ZINC000289097595 532847317 /nfs/dbraw/zinc/84/73/17/532847317.db2.gz BWKQIUUVNVUZRK-UHFFFAOYSA-N 1 0 378.441 2.058 20 0 GEADRO C[C@H](CNC(=O)c1cnn(C)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC000274279871 532847032 /nfs/dbraw/zinc/84/70/32/532847032.db2.gz YPOBGFWCECTIIH-GFCCVEGCSA-N 1 0 377.286 2.359 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415481798 532847118 /nfs/dbraw/zinc/84/71/18/532847118.db2.gz JETFHUGMBVYAOI-UHFFFAOYSA-N 1 0 393.285 2.379 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000331953040 532847204 /nfs/dbraw/zinc/84/72/04/532847204.db2.gz OHADGRDFLGZFAE-RYUDHWBXSA-N 1 0 380.290 2.342 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000289090381 532847286 /nfs/dbraw/zinc/84/72/86/532847286.db2.gz OSEYYDDUHGHYHI-RISCZKNCSA-N 1 0 383.290 2.238 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000415504914 532847866 /nfs/dbraw/zinc/84/78/66/532847866.db2.gz WMNMZDMHOPGLHQ-UHFFFAOYSA-N 1 0 398.301 2.052 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000415496775 532848018 /nfs/dbraw/zinc/84/80/18/532848018.db2.gz KTMXTPZGLZCGED-UHFFFAOYSA-N 1 0 385.917 2.357 20 0 GEADRO O=C(Nc1cc(Cl)c(Cl)cn1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000415515582 532848240 /nfs/dbraw/zinc/84/82/40/532848240.db2.gz IJEOPWWJXZMRSE-DOMZBBRYSA-N 1 0 386.283 2.157 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cc(Cl)c(Cl)cn1 ZINC000415518715 532848244 /nfs/dbraw/zinc/84/82/44/532848244.db2.gz MUOUXRFOPDDHKJ-JTQLQIEISA-N 1 0 386.205 2.346 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415529622 532848757 /nfs/dbraw/zinc/84/87/57/532848757.db2.gz XEBXVLWENWSCEM-HNNXBMFYSA-N 1 0 380.286 2.378 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ncc1Br ZINC000415547200 532849274 /nfs/dbraw/zinc/84/92/74/532849274.db2.gz YZDRWGDGPLJUHD-AWEZNQCLSA-N 1 0 395.301 2.082 20 0 GEADRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000289192330 532849712 /nfs/dbraw/zinc/84/97/12/532849712.db2.gz UFMWOOXXJOROJK-AAEUAGOBSA-N 1 0 386.279 2.254 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)c(F)cc1Br ZINC000415577298 532850778 /nfs/dbraw/zinc/85/07/78/532850778.db2.gz XNBWSNMUOKOMCR-UHFFFAOYSA-N 1 0 386.265 2.341 20 0 GEADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415573385 532851056 /nfs/dbraw/zinc/85/10/56/532851056.db2.gz CCGNOXVITMHOLK-MRVPVSSYSA-N 1 0 386.168 2.131 20 0 GEADRO [NH3+]CCN(CCO)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415572004 532850970 /nfs/dbraw/zinc/85/09/70/532850970.db2.gz AZMQYKDUJQPQEW-UHFFFAOYSA-N 1 0 386.168 2.133 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1Br ZINC000415620488 532851190 /nfs/dbraw/zinc/85/11/90/532851190.db2.gz UWRCFFBHXWJFIR-PELKAZGASA-N 1 0 388.693 2.464 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc(Br)c1F ZINC000415608042 532851351 /nfs/dbraw/zinc/85/13/51/532851351.db2.gz LMBRQHURVKJZQR-PRHODGIISA-N 1 0 388.237 2.494 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415608995 532851415 /nfs/dbraw/zinc/85/14/15/532851415.db2.gz GNZAADZOKAZZLN-CABZTGNLSA-N 1 0 375.803 2.037 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1Br ZINC000415607497 532851472 /nfs/dbraw/zinc/85/14/72/532851472.db2.gz KHEPTKXVZGVREG-WDEREUQCSA-N 1 0 382.258 2.309 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415648758 532852156 /nfs/dbraw/zinc/85/21/56/532852156.db2.gz PBPUDUPDUMBEAS-QWRGUYRKSA-N 1 0 391.269 2.322 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415650278 532852136 /nfs/dbraw/zinc/85/21/36/532852136.db2.gz PYXUESHAGUGMQR-WDEREUQCSA-N 1 0 375.803 2.309 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415645816 532852226 /nfs/dbraw/zinc/85/22/26/532852226.db2.gz LZFTZRJEXAKSMC-IUCAKERBSA-N 1 0 388.251 2.105 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415650277 532852241 /nfs/dbraw/zinc/85/22/41/532852241.db2.gz PYXUESHAGUGMQR-QWRGUYRKSA-N 1 0 375.803 2.309 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000332345837 532852299 /nfs/dbraw/zinc/85/22/99/532852299.db2.gz NWLXEYQHUOMFSX-UBHSHLNASA-N 1 0 380.286 2.282 20 0 GEADRO Cc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1Br ZINC000332346517 532852349 /nfs/dbraw/zinc/85/23/49/532852349.db2.gz XHLHRHYISHOZMU-OAHLLOKOSA-N 1 0 394.313 2.182 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(F)cc1Br ZINC000332350076 532852402 /nfs/dbraw/zinc/85/24/02/532852402.db2.gz OPSPKHHUXNYLNV-MJVIPROJSA-N 1 0 398.276 2.421 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000332344957 532852413 /nfs/dbraw/zinc/85/24/13/532852413.db2.gz UCESFPSQCUPFPU-HBNTYKKESA-N 1 0 388.331 2.228 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332343390 532852165 /nfs/dbraw/zinc/85/21/65/532852165.db2.gz SNYFFGXEJUIQEI-STQMWFEESA-N 1 0 380.286 2.072 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[NH2+]1 ZINC000415661913 532852516 /nfs/dbraw/zinc/85/25/16/532852516.db2.gz PKVZGHHSTMVCAY-JGVFFNPUSA-N 1 0 392.656 2.437 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC[NH2+]1 ZINC000415665706 532852748 /nfs/dbraw/zinc/85/27/48/532852748.db2.gz VBRRVOCHDREVHE-ONGXEEELSA-N 1 0 375.803 2.179 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415663440 532852796 /nfs/dbraw/zinc/85/27/96/532852796.db2.gz SCCINSQBQPFCPC-WRWORJQWSA-N 1 0 392.656 2.294 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332369582 532853171 /nfs/dbraw/zinc/85/31/71/532853171.db2.gz YPYQKRNJRBUVBX-ZJUUUORDSA-N 1 0 386.677 2.109 20 0 GEADRO O=c1nc(C2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)[nH][nH]1 ZINC000289378558 532853400 /nfs/dbraw/zinc/85/34/00/532853400.db2.gz IXSLNAIYZSHMNH-LBPRGKRZSA-N 1 0 387.267 2.024 20 0 GEADRO Cc1ccc(OCCC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000289361115 532853495 /nfs/dbraw/zinc/85/34/95/532853495.db2.gz ZGSUMSVAZYMNNV-HNNXBMFYSA-N 1 0 396.329 2.033 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000289362160 532853584 /nfs/dbraw/zinc/85/35/84/532853584.db2.gz ZIXBRYLJOMFIOZ-HUUCEWRRSA-N 1 0 396.329 2.031 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415686795 532853652 /nfs/dbraw/zinc/85/36/52/532853652.db2.gz VGZCCYMSHHIMPC-ONGXEEELSA-N 1 0 375.416 2.378 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000274657146 532853729 /nfs/dbraw/zinc/85/37/29/532853729.db2.gz OLKXQPABWGZKOI-JTQLQIEISA-N 1 0 386.370 2.359 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000274657045 532853840 /nfs/dbraw/zinc/85/38/40/532853840.db2.gz IFEMUXFVVPPDPP-OAHLLOKOSA-N 1 0 390.933 2.470 20 0 GEADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cc(Cl)ccc3F)CC2)c1 ZINC000332375712 532853845 /nfs/dbraw/zinc/85/38/45/532853845.db2.gz NDYNYNTYZSYDHE-UHFFFAOYSA-N 1 0 385.848 2.394 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415696732 532853923 /nfs/dbraw/zinc/85/39/23/532853923.db2.gz VBSRPPNLFGXTKC-QGZVFWFLSA-N 1 0 391.269 2.133 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000332389773 532854091 /nfs/dbraw/zinc/85/40/91/532854091.db2.gz WXRYTRNLHCSMCF-SGMGOOAPSA-N 1 0 380.286 2.282 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3c(F)cccc3Br)C[C@H]21 ZINC000332398140 532854507 /nfs/dbraw/zinc/85/45/07/532854507.db2.gz ZDLDWQICZDFVCD-OPQQBVKSSA-N 1 0 384.249 2.113 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415711278 532854530 /nfs/dbraw/zinc/85/45/30/532854530.db2.gz SCWBLCVODBQWQJ-HTQZYQBOSA-N 1 0 375.376 2.961 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415708204 532854658 /nfs/dbraw/zinc/85/46/58/532854658.db2.gz OLFDNGSWXKUPIT-QMMMGPOBSA-N 1 0 375.376 2.820 20 0 GEADRO C[NH+](C)C1(CNCc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000289437101 532854379 /nfs/dbraw/zinc/85/43/79/532854379.db2.gz FLRVNBSXUHTBLG-UHFFFAOYSA-N 1 0 394.317 2.230 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(OC)c(Br)cc1C(=O)OC ZINC000415729785 532855125 /nfs/dbraw/zinc/85/51/25/532855125.db2.gz SYVTYUYCIGCANQ-VIFPVBQESA-N 1 0 388.262 2.221 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415734800 532855084 /nfs/dbraw/zinc/85/50/84/532855084.db2.gz XWPJEEOPFACJAT-VIFPVBQESA-N 1 0 386.246 2.070 20 0 GEADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415740394 532855429 /nfs/dbraw/zinc/85/54/29/532855429.db2.gz HAEHBSGFMHWOEE-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1Br ZINC000415737611 532855213 /nfs/dbraw/zinc/85/52/13/532855213.db2.gz CTDFASXOXAWZOH-WCQYABFASA-N 1 0 398.276 2.339 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cccc2cc(Br)cnc21 ZINC000415735752 532855230 /nfs/dbraw/zinc/85/52/30/532855230.db2.gz ZOJCPYSKJRNJJT-UHFFFAOYSA-N 1 0 392.301 2.414 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000289470383 532855809 /nfs/dbraw/zinc/85/58/09/532855809.db2.gz AUKDUUYEDLYBQH-CVEARBPZSA-N 1 0 394.313 2.122 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000332513645 532856557 /nfs/dbraw/zinc/85/65/57/532856557.db2.gz VXFHTGJQIQPNAX-KGLIPLIRSA-N 1 0 394.313 2.028 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2s1 ZINC000415750145 532856120 /nfs/dbraw/zinc/85/61/20/532856120.db2.gz SUGIDRDUKNZGPQ-MNOVXSKESA-N 1 0 378.885 2.265 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(OC)ccc1Cl ZINC000289485852 532856372 /nfs/dbraw/zinc/85/63/72/532856372.db2.gz IPTSHWVDMVIZQT-UHFFFAOYSA-N 1 0 390.933 2.470 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)[C@@H](C)C[NH2+]1 ZINC000415762014 532856467 /nfs/dbraw/zinc/85/64/67/532856467.db2.gz VIBFTWJMSIINEZ-NEPJUHHUSA-N 1 0 378.274 2.849 20 0 GEADRO COc1cc(I)ccc1NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000415772593 532856990 /nfs/dbraw/zinc/85/69/90/532856990.db2.gz KJRBJYWDOFEPCN-PSASIEDQSA-N 1 0 375.210 2.111 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415789764 532857141 /nfs/dbraw/zinc/85/71/41/532857141.db2.gz PVKFGTDUFNCINK-SECBINFHSA-N 1 0 382.180 2.260 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000415787261 532857158 /nfs/dbraw/zinc/85/71/58/532857158.db2.gz KVCBYLCEQGXIFL-QLHKPRNWSA-N 1 0 376.507 2.442 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415782903 532857213 /nfs/dbraw/zinc/85/72/13/532857213.db2.gz HNEUFUBOQXARTC-LLVKDONJSA-N 1 0 384.267 2.030 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000415788795 532857310 /nfs/dbraw/zinc/85/73/10/532857310.db2.gz MZTZZBZKCWYTRR-FOCQTFQBSA-N 1 0 384.249 2.159 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000289522533 532857367 /nfs/dbraw/zinc/85/73/67/532857367.db2.gz RRBZZEHZGYMRPQ-MRXNPFEDSA-N 1 0 390.933 2.002 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415789405 532857466 /nfs/dbraw/zinc/85/74/66/532857466.db2.gz QYWPEYGFZVJZHZ-QMMMGPOBSA-N 1 0 398.179 2.140 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1)S(C)(=O)=O ZINC000289518938 532857557 /nfs/dbraw/zinc/85/75/57/532857557.db2.gz PFXGCKAFJNWYAL-HNNXBMFYSA-N 1 0 376.469 2.434 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415779205 532857014 /nfs/dbraw/zinc/85/70/14/532857014.db2.gz ANCLEYCKZUCWEL-QMMMGPOBSA-N 1 0 393.079 2.004 20 0 GEADRO COc1cc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)ccc1Br ZINC000415798628 532857739 /nfs/dbraw/zinc/85/77/39/532857739.db2.gz BESZKCTZFYYJLP-LLVKDONJSA-N 1 0 384.274 2.045 20 0 GEADRO C[C@H]1C[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000332600559 532857741 /nfs/dbraw/zinc/85/77/41/532857741.db2.gz KSKJIPMMWRVCQV-SWLSCSKDSA-N 1 0 382.302 2.168 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000415798018 532857637 /nfs/dbraw/zinc/85/76/37/532857637.db2.gz AWMNUSFLZRMSLE-MNOVXSKESA-N 1 0 384.274 2.030 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000415798293 532857649 /nfs/dbraw/zinc/85/76/49/532857649.db2.gz AOMIFPSAMPYAHM-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)C1CCCC1 ZINC000415824535 532858708 /nfs/dbraw/zinc/85/87/08/532858708.db2.gz WARDJWFBLUBTAP-ZDUSSCGKSA-N 1 0 395.301 2.294 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(Br)c1 ZINC000332643717 532858845 /nfs/dbraw/zinc/85/88/45/532858845.db2.gz ZEHPELFCBFDIND-VXGBXAGGSA-N 1 0 396.285 2.091 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415819728 532858917 /nfs/dbraw/zinc/85/89/17/532858917.db2.gz YNXMSWOKULBGAM-ZYHUDNBSSA-N 1 0 395.301 2.294 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415823404 532858629 /nfs/dbraw/zinc/85/86/29/532858629.db2.gz PUWIHDZVDMDHCQ-CQSZACIVSA-N 1 0 386.265 2.469 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415834647 532859393 /nfs/dbraw/zinc/85/93/93/532859393.db2.gz LGZLYUUGVFSNEP-AAEUAGOBSA-N 1 0 398.301 2.418 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415827288 532859409 /nfs/dbraw/zinc/85/94/09/532859409.db2.gz BOJKGPUNEFTMPD-DGCLKSJQSA-N 1 0 398.301 2.418 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415829692 532859448 /nfs/dbraw/zinc/85/94/48/532859448.db2.gz HQJJIZCAZXQGRS-VHSXEESVSA-N 1 0 375.803 2.166 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(Br)c1 ZINC000332643715 532859000 /nfs/dbraw/zinc/85/90/00/532859000.db2.gz ZEHPELFCBFDIND-NWDGAFQWSA-N 1 0 396.285 2.091 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000332640020 532859106 /nfs/dbraw/zinc/85/91/06/532859106.db2.gz USZRSYZKMXXHSG-ZDUSSCGKSA-N 1 0 396.329 2.368 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000415840244 532859672 /nfs/dbraw/zinc/85/96/72/532859672.db2.gz FYEASGBSHJFAIY-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415839862 532859769 /nfs/dbraw/zinc/85/97/69/532859769.db2.gz FPHHMKJMMDXDOC-KOLCDFICSA-N 1 0 386.265 2.278 20 0 GEADRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c(Cl)c1 ZINC000415836970 532859932 /nfs/dbraw/zinc/85/99/32/532859932.db2.gz MZAQYUQKERTXDO-GFCCVEGCSA-N 1 0 381.782 2.462 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C[C@H]1C[NH3+] ZINC000415837857 532859796 /nfs/dbraw/zinc/85/97/96/532859796.db2.gz CVNJPYRCTWUBFV-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415842096 532859833 /nfs/dbraw/zinc/85/98/33/532859833.db2.gz PFKVYQUOOFSXAK-PIGZYNQJSA-N 1 0 382.302 2.393 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415839170 532859904 /nfs/dbraw/zinc/85/99/04/532859904.db2.gz OLNDVGDIZXQDCC-WDEREUQCSA-N 1 0 391.269 2.179 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415845898 532860252 /nfs/dbraw/zinc/86/02/52/532860252.db2.gz VNJQAHPXHXJRLN-PWSUYJOCSA-N 1 0 384.274 2.030 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C[C@@H]1C[NH3+] ZINC000415845499 532860330 /nfs/dbraw/zinc/86/03/30/532860330.db2.gz JYGRQJRZHYAXKN-IUCAKERBSA-N 1 0 390.228 2.109 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000415848325 532860660 /nfs/dbraw/zinc/86/06/60/532860660.db2.gz CWQAEBJRKGRSEO-AWEZNQCLSA-N 1 0 395.301 2.019 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415864563 532861012 /nfs/dbraw/zinc/86/10/12/532861012.db2.gz CRJUGAACIMGHHS-HOSYDEDBSA-N 1 0 384.249 2.031 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@H]1[NH3+] ZINC000332716008 532861339 /nfs/dbraw/zinc/86/13/39/532861339.db2.gz ZEFBKBYAYBGXEV-VCTAVGKDSA-N 1 0 385.295 2.477 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415858202 532861210 /nfs/dbraw/zinc/86/12/10/532861210.db2.gz SKDGJGMIFRKBAN-QWHCGFSZSA-N 1 0 380.286 2.236 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415857263 532861218 /nfs/dbraw/zinc/86/12/18/532861218.db2.gz RBOLPUJTIPZUSL-VXGBXAGGSA-N 1 0 398.276 2.375 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415873166 532861588 /nfs/dbraw/zinc/86/15/88/532861588.db2.gz UIMSTEXIEUUIOI-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415871128 532861761 /nfs/dbraw/zinc/86/17/61/532861761.db2.gz GQQCNUZLYLHTLE-UHFFFAOYSA-N 1 0 388.212 2.092 20 0 GEADRO CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415971007 532862634 /nfs/dbraw/zinc/86/26/34/532862634.db2.gz MLYHTMUNHHTINU-JTQLQIEISA-N 1 0 381.420 2.451 20 0 GEADRO C[C@@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1(S(C)(=O)=O)CC1 ZINC000415974710 532862677 /nfs/dbraw/zinc/86/26/77/532862677.db2.gz RVKQXZQVGSXCFX-SECBINFHSA-N 1 0 379.404 2.251 20 0 GEADRO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289671456 532862792 /nfs/dbraw/zinc/86/27/92/532862792.db2.gz NPARPDKTSXQLPM-SUMWQHHRSA-N 1 0 396.285 2.410 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCc1nc(-c2cccc(Cl)c2)no1)C(F)(F)F ZINC000416011204 532862831 /nfs/dbraw/zinc/86/28/31/532862831.db2.gz RKAZGVBEPICYOF-JTQLQIEISA-N 1 0 377.754 2.469 20 0 GEADRO CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H](CO)c1cccc(Br)c1 ZINC000416003221 532862506 /nfs/dbraw/zinc/86/25/06/532862506.db2.gz GKKGKKCELYZHGD-NEPJUHHUSA-N 1 0 398.223 2.404 20 0 GEADRO CC(C)C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C(=O)Nc1nccs1 ZINC000416001897 532862587 /nfs/dbraw/zinc/86/25/87/532862587.db2.gz ATICSEAJCLLDND-NXEZZACHSA-N 1 0 381.424 2.075 20 0 GEADRO CCN(C[C@@H]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C1)CC(F)(F)F ZINC000416033699 532863436 /nfs/dbraw/zinc/86/34/36/532863436.db2.gz SFJFWIQTJTWQNC-WDEREUQCSA-N 1 0 378.361 2.182 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCCOc1ncc(Cl)cc1Cl)C(F)(F)F ZINC000416015978 532863040 /nfs/dbraw/zinc/86/30/40/532863040.db2.gz WOVHGUSOYDWHHL-VIFPVBQESA-N 1 0 375.178 2.346 20 0 GEADRO C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333082305 532863950 /nfs/dbraw/zinc/86/39/50/532863950.db2.gz XJMVTPBTOQAWKB-OLZOCXBDSA-N 1 0 382.511 2.359 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCCN1CCc2c(Cl)cccc2C1)C(F)(F)F ZINC000416032404 532863591 /nfs/dbraw/zinc/86/35/91/532863591.db2.gz QAYLGHHDGCALTK-AWEZNQCLSA-N 1 0 378.826 2.277 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000333147427 532864762 /nfs/dbraw/zinc/86/47/62/532864762.db2.gz KHVDNVUOFKNQBN-GXTWGEPZSA-N 1 0 388.917 2.462 20 0 GEADRO C[N@H+](C[C@@H](O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)C1CC1 ZINC000289768854 532864481 /nfs/dbraw/zinc/86/44/81/532864481.db2.gz KDOLGVXJSLOBDG-CQSZACIVSA-N 1 0 386.323 2.206 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000416161064 532865294 /nfs/dbraw/zinc/86/52/94/532865294.db2.gz QFUFUFNCRYKUES-LBPRGKRZSA-N 1 0 391.331 2.069 20 0 GEADRO Cc1nc(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)ccc1Br ZINC000333201332 532865885 /nfs/dbraw/zinc/86/58/85/532865885.db2.gz XVDRGBRGMYXETG-UHFFFAOYSA-N 1 0 396.333 2.490 20 0 GEADRO O=C(Cc1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333304282 532866711 /nfs/dbraw/zinc/86/67/11/532866711.db2.gz CLUHPPXBKHLGCY-OAHLLOKOSA-N 1 0 384.307 2.349 20 0 GEADRO O=C(Cc1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333304281 532866520 /nfs/dbraw/zinc/86/65/20/532866520.db2.gz CLUHPPXBKHLGCY-HNNXBMFYSA-N 1 0 384.307 2.349 20 0 GEADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C1CCS(=O)(=O)CC1 ZINC000275158561 532867086 /nfs/dbraw/zinc/86/70/86/532867086.db2.gz AENPHDHOXRHSTN-ABAIWWIYSA-N 1 0 376.316 2.285 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cnn1-c1cccc(Br)c1 ZINC000333320424 532866868 /nfs/dbraw/zinc/86/68/68/532866868.db2.gz PIMXTCWGZDOKPG-WBMJQRKESA-N 1 0 375.270 2.377 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333390117 532867899 /nfs/dbraw/zinc/86/78/99/532867899.db2.gz XICRWZPPEKZXKA-STQMWFEESA-N 1 0 390.285 2.708 20 0 GEADRO CCNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](CC)CC)CC(C)C)cc1 ZINC000047917623 210843808 /nfs/dbraw/zinc/84/38/08/210843808.db2.gz ITWNNNGJNUIZTQ-UHFFFAOYSA-N 1 0 383.558 2.425 20 0 GEADRO CCOc1cc(C[NH2+]CCCn2cc(CO)nn2)cc(Br)c1OC ZINC000289930027 532868378 /nfs/dbraw/zinc/86/83/78/532868378.db2.gz SZGHWZZPSLCIPY-UHFFFAOYSA-N 1 0 399.289 2.120 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)C1 ZINC000289931633 532868496 /nfs/dbraw/zinc/86/84/96/532868496.db2.gz UXBTWRWBYUUANS-INIZCTEOSA-N 1 0 375.441 2.348 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289944626 532868803 /nfs/dbraw/zinc/86/88/03/532868803.db2.gz OWZCNALVIINGMV-ZFWWWQNUSA-N 1 0 398.320 2.273 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1cn[nH]c1 ZINC000275238450 532869886 /nfs/dbraw/zinc/86/98/86/532869886.db2.gz WTQUNGCTMJRFQZ-NSHDSACASA-N 1 0 383.283 2.111 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000416299809 532869647 /nfs/dbraw/zinc/86/96/47/532869647.db2.gz GUDOFTWFSOXJKP-LBPRGKRZSA-N 1 0 380.286 2.012 20 0 GEADRO COc1cc(C[NH2+]Cc2cncn2C)cc(I)c1OC ZINC000289975106 532869650 /nfs/dbraw/zinc/86/96/50/532869650.db2.gz WLMOLSMYCCLBFY-UHFFFAOYSA-N 1 0 387.221 2.332 20 0 GEADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000289983402 532869716 /nfs/dbraw/zinc/86/97/16/532869716.db2.gz OEISEYQAPGVLNN-ZIAGYGMSSA-N 1 0 378.274 2.416 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000333532358 532870439 /nfs/dbraw/zinc/87/04/39/532870439.db2.gz MJWITAACXPMAOL-ZUZCIYMTSA-N 1 0 392.258 2.204 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1cc(Br)ccc1F ZINC000416305710 532870537 /nfs/dbraw/zinc/87/05/37/532870537.db2.gz JAJOAEYQNDTTGI-STQMWFEESA-N 1 0 387.293 2.434 20 0 GEADRO CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C)CC1 ZINC000290005434 532870278 /nfs/dbraw/zinc/87/02/78/532870278.db2.gz XAFWMFVPXPNIMM-UHFFFAOYSA-N 1 0 380.290 2.395 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000416317547 532870882 /nfs/dbraw/zinc/87/08/82/532870882.db2.gz WZJAPKGAHJZMGO-QWHCGFSZSA-N 1 0 394.313 2.386 20 0 GEADRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333536884 532870724 /nfs/dbraw/zinc/87/07/24/532870724.db2.gz RFLPSNSBGSNYRF-CQSZACIVSA-N 1 0 384.307 2.349 20 0 GEADRO Brc1c(CN2CC[NH+](C3CCOCC3)CC2)nc2ccccn21 ZINC000290052021 532871288 /nfs/dbraw/zinc/87/12/88/532871288.db2.gz OTDTUMUYDKPLOA-UHFFFAOYSA-N 1 0 379.302 2.393 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000290094395 532872383 /nfs/dbraw/zinc/87/23/83/532872383.db2.gz XHSHMUJTEKPUBZ-NSHDSACASA-N 1 0 397.191 2.365 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000416369404 532872452 /nfs/dbraw/zinc/87/24/52/532872452.db2.gz JGGSXJKXBNNNML-LBPRGKRZSA-N 1 0 387.933 2.018 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(F)ccc3Cl)CC2)C1 ZINC000333716751 532872573 /nfs/dbraw/zinc/87/25/73/532872573.db2.gz TYKTXNJFNRNFTH-HIFRSBDPSA-N 1 0 376.881 2.386 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)C[C@@H]21 ZINC000333744649 532872946 /nfs/dbraw/zinc/87/29/46/532872946.db2.gz YOLLWBCPKFHCRB-DOMZBBRYSA-N 1 0 390.285 2.803 20 0 GEADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000290109649 532873036 /nfs/dbraw/zinc/87/30/36/532873036.db2.gz YIQAGPRKARYEMF-GDBMZVCRSA-N 1 0 396.329 2.302 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2nc3ccccc3cc2Br)CC1 ZINC000290140958 532873309 /nfs/dbraw/zinc/87/33/09/532873309.db2.gz KHQQSOFLDLLGCC-UHFFFAOYSA-N 1 0 391.313 2.365 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC4(CC[NH2+]4)CC3)nc12 ZINC000333785827 532873373 /nfs/dbraw/zinc/87/33/73/532873373.db2.gz FIFPZLHKKMIGTJ-UHFFFAOYSA-N 1 0 392.301 2.443 20 0 GEADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333785992 532873392 /nfs/dbraw/zinc/87/33/92/532873392.db2.gz LRLYFMNWFFPFNX-XJKSGUPXSA-N 1 0 384.249 2.417 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000290150963 532873836 /nfs/dbraw/zinc/87/38/36/532873836.db2.gz LBLAPJGHSPZJKR-MISXGVKJSA-N 1 0 389.315 2.189 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c(OC)cc2OC)C1 ZINC000416382169 532873958 /nfs/dbraw/zinc/87/39/58/532873958.db2.gz IVNMKRNHQDFZSX-GFCCVEGCSA-N 1 0 376.906 2.367 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c2ccsc2S1(=O)=O ZINC000333789050 532873583 /nfs/dbraw/zinc/87/35/83/532873583.db2.gz MFEGWAAZNWPMSE-RCZQDCHWSA-N 1 0 383.539 2.124 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000333854629 532874067 /nfs/dbraw/zinc/87/40/67/532874067.db2.gz QRBRBNRRMXHTPU-CYBMUJFWSA-N 1 0 392.297 2.157 20 0 GEADRO CCOC(=O)CSc1cncc(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)n1 ZINC000275397341 532874909 /nfs/dbraw/zinc/87/49/09/532874909.db2.gz DGJZBRDYMUTHFR-KGLIPLIRSA-N 1 0 382.555 2.148 20 0 GEADRO CC(C)(CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000333896217 532875272 /nfs/dbraw/zinc/87/52/72/532875272.db2.gz ARLSUHHZWHPAMB-UHFFFAOYSA-N 1 0 382.302 2.111 20 0 GEADRO CC1(C)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[S@]1=O ZINC000333969785 532876379 /nfs/dbraw/zinc/87/63/79/532876379.db2.gz UYIWIXHRUCVQEC-RUZDIDTESA-N 1 0 387.615 2.291 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333940608 532876091 /nfs/dbraw/zinc/87/60/91/532876091.db2.gz OFCIZLFKKCBYOD-KRWDZBQOSA-N 1 0 396.285 2.115 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000333964914 532876453 /nfs/dbraw/zinc/87/64/53/532876453.db2.gz PLXANEKRJQONRM-DOMZBBRYSA-N 1 0 395.301 2.042 20 0 GEADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)NC[C@@H]1CCCO1 ZINC000334051924 532877953 /nfs/dbraw/zinc/87/79/53/532877953.db2.gz SKOIDWGVNJQNHZ-INIZCTEOSA-N 1 0 397.313 2.340 20 0 GEADRO O=C(c1cc(Cl)ncc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000290332160 532878346 /nfs/dbraw/zinc/87/83/46/532878346.db2.gz IYJUXCIKKBJLMQ-LLVKDONJSA-N 1 0 388.693 2.292 20 0 GEADRO C[C@H](NC(=O)NCC1([NH3+])CCC1)c1cc2c(cc1Br)OCCO2 ZINC000417187168 532878859 /nfs/dbraw/zinc/87/88/59/532878859.db2.gz WFOXGFCCWBKPHP-JTQLQIEISA-N 1 0 384.274 2.462 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417278323 532879377 /nfs/dbraw/zinc/87/93/77/532879377.db2.gz ITIRKEQADNSGRD-RHSMWYFYSA-N 1 0 395.345 2.069 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000417275159 532879572 /nfs/dbraw/zinc/87/95/72/532879572.db2.gz VJHXFUVPCCBUBR-LBPRGKRZSA-N 1 0 387.311 2.032 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CCCC[C@H]2C[NH3+])cc1OC ZINC000417445460 532879734 /nfs/dbraw/zinc/87/97/34/532879734.db2.gz HAOHGVHUCFZFAX-LBPRGKRZSA-N 1 0 386.290 2.489 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000416438497 532877236 /nfs/dbraw/zinc/87/72/36/532877236.db2.gz KBLSQFRDJXKPFD-SMDDNHRTSA-N 1 0 394.946 2.023 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C[C@H]1[NH3+] ZINC000418933518 532881688 /nfs/dbraw/zinc/88/16/88/532881688.db2.gz IJDZSQPKSGKSMD-LYRGGWFBSA-N 1 0 394.313 2.212 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000419529443 532882431 /nfs/dbraw/zinc/88/24/31/532882431.db2.gz XTRZPUMSYWXEQF-SWLSCSKDSA-N 1 0 396.329 2.039 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420455793 532883907 /nfs/dbraw/zinc/88/39/07/532883907.db2.gz XYZZDGRJUOZPLI-GXFFZTMASA-N 1 0 377.279 2.269 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000419882062 532882994 /nfs/dbraw/zinc/88/29/94/532882994.db2.gz VAGGLGHHXWCQQO-UYSNPLJNSA-N 1 0 394.313 2.499 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419870107 532883198 /nfs/dbraw/zinc/88/31/98/532883198.db2.gz RXSAKWBGIOHKHD-HNNXBMFYSA-N 1 0 382.302 2.040 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000419882053 532883202 /nfs/dbraw/zinc/88/32/02/532883202.db2.gz VAFMNMNQHLEHGO-UYSNPLJNSA-N 1 0 381.929 2.343 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000420460585 532883489 /nfs/dbraw/zinc/88/34/89/532883489.db2.gz LCJVCFARBHXZKE-MRXNPFEDSA-N 1 0 381.523 2.143 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000420458054 532883611 /nfs/dbraw/zinc/88/36/11/532883611.db2.gz IIYHGMJIERRARX-CQSZACIVSA-N 1 0 377.869 2.104 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000420459381 532883718 /nfs/dbraw/zinc/88/37/18/532883718.db2.gz QXLRAEDSQYBVDY-QWRGUYRKSA-N 1 0 397.324 2.424 20 0 GEADRO O=C(Cn1cc(Br)cn1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000275642559 532880648 /nfs/dbraw/zinc/88/06/48/532880648.db2.gz KCJRVPDEXIDMSN-INIZCTEOSA-N 1 0 392.301 2.212 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000418434500 532880831 /nfs/dbraw/zinc/88/08/31/532880831.db2.gz FDDZEPZOJVPZBJ-ZFWWWQNUSA-N 1 0 386.334 2.273 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418420764 532880835 /nfs/dbraw/zinc/88/08/35/532880835.db2.gz AHOXEUFTALLSCL-IUODEOHRSA-N 1 0 397.317 2.005 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418411381 532880859 /nfs/dbraw/zinc/88/08/59/532880859.db2.gz WXKKWNPMVCQNKO-LBPRGKRZSA-N 1 0 376.320 2.406 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418430020 532880896 /nfs/dbraw/zinc/88/08/96/532880896.db2.gz QXPLRWIRFNUVAD-YQQAZPJKSA-N 1 0 398.345 2.417 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000418463100 532881187 /nfs/dbraw/zinc/88/11/87/532881187.db2.gz KXOTWDDKMYJURD-DOMZBBRYSA-N 1 0 397.317 2.149 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000418448417 532881284 /nfs/dbraw/zinc/88/12/84/532881284.db2.gz RXDCCJAONJOPGZ-HUUCEWRRSA-N 1 0 397.317 2.005 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000275909936 532885760 /nfs/dbraw/zinc/88/57/60/532885760.db2.gz BIVGOHBVVRVMIG-BXUZGUMPSA-N 1 0 398.301 2.337 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420732272 532886065 /nfs/dbraw/zinc/88/60/65/532886065.db2.gz GPNXUTOVEXQMIK-ZFWWWQNUSA-N 1 0 390.933 2.468 20 0 GEADRO C[NH+](C)C1CCN(C(=O)Cc2noc(CSCc3cscn3)n2)CC1 ZINC000350954721 532886835 /nfs/dbraw/zinc/88/68/35/532886835.db2.gz KVFHGFZSERWUCR-UHFFFAOYSA-N 1 0 381.527 2.055 20 0 GEADRO CS[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@H]1[NH+]1CCCC1 ZINC000290699814 532887158 /nfs/dbraw/zinc/88/71/58/532887158.db2.gz LMRVRMFKOPUGQA-OLZOCXBDSA-N 1 0 376.448 2.249 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(Br)nc3)C2=O)n(C)n1 ZINC000290583520 532884791 /nfs/dbraw/zinc/88/47/91/532884791.db2.gz GBIIJSFHJBPXRO-YPMHNXCESA-N 1 0 378.274 2.342 20 0 GEADRO C[C@H](COCC(F)(F)F)NC(=O)NC1CCN(Cc2cscn2)CC1 ZINC000360215966 532889627 /nfs/dbraw/zinc/88/96/27/532889627.db2.gz JPAQLBCNXYYUIT-LLVKDONJSA-N 1 0 380.436 2.374 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(F)c1)C1=CC[N@H+](C)CC1 ZINC000276142230 532889667 /nfs/dbraw/zinc/88/96/67/532889667.db2.gz QMJSOOUTFVPZLG-SNVBAGLBSA-N 1 0 384.249 2.293 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000276142007 532889847 /nfs/dbraw/zinc/88/98/47/532889847.db2.gz OSCHPUMXBNUXSO-UHFFFAOYSA-N 1 0 381.318 2.006 20 0 GEADRO CS(=O)(=O)CCCN1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000360246303 532889905 /nfs/dbraw/zinc/88/99/05/532889905.db2.gz LFWWXCXHLCKRIE-CQSZACIVSA-N 1 0 389.315 2.287 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1c(F)cccc1Br)C1=CC[N@H+](C)CC1 ZINC000276038069 532887920 /nfs/dbraw/zinc/88/79/20/532887920.db2.gz JCJRKZHFFFGSPW-SNVBAGLBSA-N 1 0 384.249 2.293 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2-n2cncn2)CCC1 ZINC000276075173 532888770 /nfs/dbraw/zinc/88/87/70/532888770.db2.gz WPEZEAUCCBRZAR-UHFFFAOYSA-N 1 0 378.274 2.244 20 0 GEADRO COC(=O)CCNC(=O)C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000360025442 532889149 /nfs/dbraw/zinc/88/91/49/532889149.db2.gz YOORIWBFADBNDO-GTNSWQLSSA-N 1 0 389.279 2.340 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCOc1ccc(Cl)cn1)CCC2 ZINC000290851796 532890944 /nfs/dbraw/zinc/89/09/44/532890944.db2.gz ZOPVKYPAINQXDK-INIZCTEOSA-N 1 0 381.885 2.428 20 0 GEADRO CC(C)(C)[S@@](=O)CC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000360871051 532891403 /nfs/dbraw/zinc/89/14/03/532891403.db2.gz JSVJZZORQUTEHP-QFIPXVFZSA-N 1 0 378.585 2.038 20 0 GEADRO O=C(NCc1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000360977535 532891659 /nfs/dbraw/zinc/89/16/59/532891659.db2.gz SJZKJKQOMQIEEF-HOTGVXAUSA-N 1 0 382.302 2.190 20 0 GEADRO COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000361030841 532892062 /nfs/dbraw/zinc/89/20/62/532892062.db2.gz DDCKJLXGGKVSHH-SJCJKPOMSA-N 1 0 396.285 2.268 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000423079242 532893525 /nfs/dbraw/zinc/89/35/25/532893525.db2.gz QHJAFXIKRXSCLE-TZMCWYRMSA-N 1 0 394.313 2.136 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000423104960 532893971 /nfs/dbraw/zinc/89/39/71/532893971.db2.gz HUEHFSGGKIBPQQ-JKSUJKDBSA-N 1 0 394.313 2.323 20 0 GEADRO C[C@@H]1CC[NH2+]CC[C@@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000423099194 532893999 /nfs/dbraw/zinc/89/39/99/532893999.db2.gz FDPOSZNIKGESBA-RISCZKNCSA-N 1 0 387.265 2.207 20 0 GEADRO O=C(CCc1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000361922875 532894428 /nfs/dbraw/zinc/89/44/28/532894428.db2.gz AVPAKQUZCBITGU-IRXDYDNUSA-N 1 0 381.314 2.439 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424020953 532894536 /nfs/dbraw/zinc/89/45/36/532894536.db2.gz MZEGSPADVOVZMQ-JQWIXIFHSA-N 1 0 391.693 2.446 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C[C@H]1C[NH3+] ZINC000424029234 532894542 /nfs/dbraw/zinc/89/45/42/532894542.db2.gz ZCJLNFVBNRZDDO-MGPQQGTHSA-N 1 0 394.313 2.245 20 0 GEADRO C[NH2+]CCCN(C)C(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000424036686 532894787 /nfs/dbraw/zinc/89/47/87/532894787.db2.gz VKJVZMALEYXBBL-UHFFFAOYSA-N 1 0 387.571 2.431 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000423043600 532892945 /nfs/dbraw/zinc/89/29/45/532892945.db2.gz PFMPIBXUZGJVHC-WBMJQRKESA-N 1 0 375.519 2.104 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000423043599 532892950 /nfs/dbraw/zinc/89/29/50/532892950.db2.gz PFMPIBXUZGJVHC-MLGOLLRUSA-N 1 0 375.519 2.104 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)CCc2ccccc2Br)CC1 ZINC000291031968 532895249 /nfs/dbraw/zinc/89/52/49/532895249.db2.gz FHNARYFBKCSKRV-UHFFFAOYSA-N 1 0 375.332 2.395 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000276420794 532895343 /nfs/dbraw/zinc/89/53/43/532895343.db2.gz GIXPOJAFAUCRCU-ZUZCIYMTSA-N 1 0 398.276 2.434 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000276416666 532895439 /nfs/dbraw/zinc/89/54/39/532895439.db2.gz FWEZABQRLHWHGS-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCCN(c2ncccn2)C1 ZINC000362313916 532895530 /nfs/dbraw/zinc/89/55/30/532895530.db2.gz ALGLSUYLOMDPDQ-UONOGXRCSA-N 1 0 379.306 2.330 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1Cl ZINC000362255177 532895661 /nfs/dbraw/zinc/89/56/61/532895661.db2.gz IKVRVAZMOHSEIA-MRXNPFEDSA-N 1 0 385.961 2.297 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000291202240 532898058 /nfs/dbraw/zinc/89/80/58/532898058.db2.gz AOWNLLDBPRPYAD-AAEUAGOBSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000291267217 532899233 /nfs/dbraw/zinc/89/92/33/532899233.db2.gz GWGXSCDLXDDUCK-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(F)(F)F ZINC000276655863 532899281 /nfs/dbraw/zinc/89/92/81/532899281.db2.gz JDGGPBDDHJOMBQ-CYBMUJFWSA-N 1 0 383.208 2.299 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000363557243 532899335 /nfs/dbraw/zinc/89/93/35/532899335.db2.gz IUYASPMBGBTDSN-OAHLLOKOSA-N 1 0 391.320 2.375 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000291277075 532899412 /nfs/dbraw/zinc/89/94/12/532899412.db2.gz HUAANQJQXOAQNS-RYUDHWBXSA-N 1 0 383.290 2.080 20 0 GEADRO C[NH+]1CCC(NC(=O)N2CCC(Cn3cc(Br)cn3)CC2)CC1 ZINC000363683996 532900383 /nfs/dbraw/zinc/90/03/83/532900383.db2.gz FJPIFDGBMPVNPN-UHFFFAOYSA-N 1 0 384.322 2.161 20 0 GEADRO CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000363460136 532898837 /nfs/dbraw/zinc/89/88/37/532898837.db2.gz XIVBTFKIKKVDDQ-UHFFFAOYSA-N 1 0 387.933 2.140 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000291441551 532902164 /nfs/dbraw/zinc/90/21/64/532902164.db2.gz YPGWTKXADCSDFI-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO C[NH+]1CCC(CC(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000291476003 532902562 /nfs/dbraw/zinc/90/25/62/532902562.db2.gz MEGQETXFLNRABE-UHFFFAOYSA-N 1 0 382.302 2.027 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000291359235 532900595 /nfs/dbraw/zinc/90/05/95/532900595.db2.gz QMWLAUNIHHCXMZ-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(C)C)CC2)c(Br)n1 ZINC000364106810 532903473 /nfs/dbraw/zinc/90/34/73/532903473.db2.gz XCHQROPZCFDHGZ-UHFFFAOYSA-N 1 0 397.317 2.281 20 0 GEADRO CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@H](C)N2CCSCC2)n1 ZINC000276940571 532903945 /nfs/dbraw/zinc/90/39/45/532903945.db2.gz ZFTJZDDZDADSMC-JSGCOSHPSA-N 1 0 383.539 2.421 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c1 ZINC000364184091 532904252 /nfs/dbraw/zinc/90/42/52/532904252.db2.gz QBSCWJMIAJALKZ-GJZGRUSLSA-N 1 0 389.315 2.350 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)ccc1Br ZINC000364185492 532904353 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CCCc1c(C(=O)N[C@@H](C)C[NH3+])nnn1Cc1cccc(Br)c1 ZINC000277024353 532906277 /nfs/dbraw/zinc/90/62/77/532906277.db2.gz HTIMYVUPPKRAPA-NSHDSACASA-N 1 0 380.290 2.118 20 0 GEADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)[nH]1 ZINC000277041424 532906513 /nfs/dbraw/zinc/90/65/13/532906513.db2.gz PCVMAFSUYREXQB-AWEZNQCLSA-N 1 0 394.313 2.420 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000364604133 532907266 /nfs/dbraw/zinc/90/72/66/532907266.db2.gz SCPBATBQFQXVCY-SCLBCKFNSA-N 1 0 382.291 2.277 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000365284261 532909559 /nfs/dbraw/zinc/90/95/59/532909559.db2.gz YUAVTZBLIHZWBW-DYVFJYSZSA-N 1 0 386.323 2.487 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000291876146 532909899 /nfs/dbraw/zinc/90/98/99/532909899.db2.gz LEIOSYOBFCOBCX-SNVBAGLBSA-N 1 0 376.320 2.085 20 0 GEADRO CN(CC(F)(F)Br)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000291880186 532910126 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NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000293568026 532928809 /nfs/dbraw/zinc/92/88/09/532928809.db2.gz XVMJILZGQLGZKZ-OLZOCXBDSA-N 1 0 384.933 2.418 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CCN(c2nnnn2C)CC1 ZINC000367950005 532928914 /nfs/dbraw/zinc/92/89/14/532928914.db2.gz BXWYLRPBJQELLF-LLVKDONJSA-N 1 0 397.296 2.301 20 0 GEADRO C[C@@H]1CCN(C(=O)c2cccn3c(I)cnc23)[C@H](C[NH3+])C1 ZINC000293683864 532930354 /nfs/dbraw/zinc/93/03/54/532930354.db2.gz OEZZMSTXYNFXNN-MNOVXSKESA-N 1 0 398.248 2.138 20 0 GEADRO C[C@H]1CCN(C(=O)c2cccn3c(I)cnc23)[C@@H](C[NH3+])C1 ZINC000293683891 532930448 /nfs/dbraw/zinc/93/04/48/532930448.db2.gz OEZZMSTXYNFXNN-WDEREUQCSA-N 1 0 398.248 2.138 20 0 GEADRO CS(=O)(=O)Cc1ccc(C(=O)NC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000368859491 532934942 /nfs/dbraw/zinc/93/49/42/532934942.db2.gz HRPILDPWYHACKQ-UHFFFAOYSA-N 1 0 382.507 2.280 20 0 GEADRO O=C(Nc1ccsc1Cl)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368881253 532935214 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392.463 2.026 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736848452 598932688 /nfs/dbraw/zinc/93/26/88/598932688.db2.gz MQSWQVXWYJVVBJ-INIZCTEOSA-N 1 0 392.463 2.127 20 0 GEADRO C[N@H+](CCNC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000736801638 598933050 /nfs/dbraw/zinc/93/30/50/598933050.db2.gz ZJABZWFCDZQTEG-UHFFFAOYSA-N 1 0 392.463 2.270 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[NH+](C2CCC2)CC1 ZINC000735550282 598944732 /nfs/dbraw/zinc/94/47/32/598944732.db2.gz HTEZYFPXASUGHL-LBPRGKRZSA-N 1 0 389.891 2.017 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000738101171 598963335 /nfs/dbraw/zinc/96/33/35/598963335.db2.gz GNTYRZHALHBEBY-IBGZPJMESA-N 1 0 391.479 2.331 20 0 GEADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)CCc1nc(-c2ccccc2)no1 ZINC000736800911 598986960 /nfs/dbraw/zinc/98/69/60/598986960.db2.gz FIPBUSUTZQLNJY-UHFFFAOYSA-N 1 0 391.435 2.470 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@H]1C ZINC000736565519 598991496 /nfs/dbraw/zinc/99/14/96/598991496.db2.gz LFMRSULXJXSUEK-OCCSQVGLSA-N 1 0 391.907 2.263 20 0 GEADRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C1(C)C ZINC000736613757 598992044 /nfs/dbraw/zinc/99/20/44/598992044.db2.gz SZFIQDFVQLUZCQ-STQMWFEESA-N 1 0 378.502 2.392 20 0 GEADRO CCO[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)C1(C)C ZINC000736615882 598992383 /nfs/dbraw/zinc/99/23/83/598992383.db2.gz YSGPLSARVFTURB-IAGOWNOFSA-N 1 0 375.473 2.390 20 0 GEADRO C[NH+](C)CCCNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736768012 599018571 /nfs/dbraw/zinc/01/85/71/599018571.db2.gz VROGBUQGKFJLQF-UHFFFAOYSA-N 1 0 380.452 2.127 20 0 GEADRO C[N@H+](CCNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000736800723 599025071 /nfs/dbraw/zinc/02/50/71/599025071.db2.gz OXZUVPWBWWOXAK-UHFFFAOYSA-N 1 0 392.463 2.270 20 0 GEADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000737994729 599028879 /nfs/dbraw/zinc/02/88/79/599028879.db2.gz FSTAXQZAEUSNHL-GOSISDBHSA-N 1 0 377.452 2.219 20 0 GEADRO C[C@@H](O)C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000736145064 599048152 /nfs/dbraw/zinc/04/81/52/599048152.db2.gz AMSISNUWNSLLDR-CYBMUJFWSA-N 1 0 386.481 2.140 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000737031880 599049026 /nfs/dbraw/zinc/04/90/26/599049026.db2.gz HZNZCFNEBBQHKG-HNNXBMFYSA-N 1 0 383.452 2.137 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(-c4nn[nH]n4)c(C(F)(F)F)c3)CC2)C1 ZINC000736858189 599061872 /nfs/dbraw/zinc/06/18/72/599061872.db2.gz QYTGNHKOJIJLMD-AWEZNQCLSA-N 1 0 395.433 2.102 20 0 GEADRO COc1cccc(C2CC[NH+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737130870 599071280 /nfs/dbraw/zinc/07/12/80/599071280.db2.gz SXSRIGTXRSFAHY-LJQANCHMSA-N 1 0 392.463 2.281 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736294063 599077497 /nfs/dbraw/zinc/07/74/97/599077497.db2.gz 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384.440 2.109 20 0 GEADRO C[C@@H]1CCC[C@H]([N@H+](C)CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000736253978 598334542 /nfs/dbraw/zinc/33/45/42/598334542.db2.gz WZHXAVKHFUAFHS-ZBFHGGJFSA-N 1 0 397.483 2.099 20 0 GEADRO CCC1(C)CC[NH+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736398234 598334643 /nfs/dbraw/zinc/33/46/43/598334643.db2.gz ZYWOPYSMDUKWTK-UHFFFAOYSA-N 1 0 397.483 2.101 20 0 GEADRO COc1ccc([C@H](CNc2nccnc2-c2nn[nH]n2)[NH+]2CCCCC2)cc1 ZINC000737076847 598337808 /nfs/dbraw/zinc/33/78/08/598337808.db2.gz RTFGRAJKBGVWEE-INIZCTEOSA-N 1 0 380.456 2.304 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736859740 598346990 /nfs/dbraw/zinc/34/69/90/598346990.db2.gz IPNYGZAOZHYTNQ-DLBZAZTESA-N 1 0 386.525 2.185 20 0 GEADRO C[C@@H]1CN([C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c2cccs2)CCO1 ZINC000736290097 598349058 /nfs/dbraw/zinc/34/90/58/598349058.db2.gz GUZNTZCKNLOVES-PBHICJAKSA-N 1 0 384.509 2.480 20 0 GEADRO Cc1nccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737501875 598356777 /nfs/dbraw/zinc/35/67/77/598356777.db2.gz VTFJLLCAALIYOO-KRWDZBQOSA-N 1 0 380.456 2.037 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736532930 598358004 /nfs/dbraw/zinc/35/80/04/598358004.db2.gz FNJXRNIGFDUPGF-CQSZACIVSA-N 1 0 398.467 2.499 20 0 GEADRO C[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736290597 598365608 /nfs/dbraw/zinc/36/56/08/598365608.db2.gz RLBOAVHKXHXHSR-JXFKEZNVSA-N 1 0 378.480 2.106 20 0 GEADRO C[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736288107 598365616 /nfs/dbraw/zinc/36/56/16/598365616.db2.gz QTYGVBKQGJRHBM-QRWLVFNGSA-N 1 0 396.470 2.246 20 0 GEADRO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737445204 598367905 /nfs/dbraw/zinc/36/79/05/598367905.db2.gz PUEJTLRNUIBAPE-OAHLLOKOSA-N 1 0 394.483 2.111 20 0 GEADRO Cc1nccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737500675 598368038 /nfs/dbraw/zinc/36/80/38/598368038.db2.gz QVWPHDZLHKHLMQ-HNNXBMFYSA-N 1 0 380.456 2.037 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000735561232 598373491 /nfs/dbraw/zinc/37/34/91/598373491.db2.gz JRUMOAZHGLRNQV-ZBFHGGJFSA-N 1 0 377.452 2.380 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736757069 598376082 /nfs/dbraw/zinc/37/60/82/598376082.db2.gz NVEPAUMSBAZDEH-MRXNPFEDSA-N 1 0 396.451 2.205 20 0 GEADRO COc1ccc([C@@H](CNc2cnc(-c3nn[nH]n3)cn2)[NH+]2CCCCC2)cc1 ZINC000737074660 598384700 /nfs/dbraw/zinc/38/47/00/598384700.db2.gz JNRIISDZUBNREB-QGZVFWFLSA-N 1 0 380.456 2.304 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000737189736 598420452 /nfs/dbraw/zinc/42/04/52/598420452.db2.gz PTXMLOVGZYZOQD-ZDUSSCGKSA-N 1 0 399.524 2.171 20 0 GEADRO C[NH+](C)CCCOc1ccc(NC(=O)COc2ccccc2-c2nn[nH]n2)cc1 ZINC000736766616 598424350 /nfs/dbraw/zinc/42/43/50/598424350.db2.gz FBARTKSJWWTKNH-UHFFFAOYSA-N 1 0 396.451 2.215 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000735875599 598429135 /nfs/dbraw/zinc/42/91/35/598429135.db2.gz WOCNDUPYNTYQHL-QZTJIDSGSA-N 1 0 383.500 2.414 20 0 GEADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000736559033 598454993 /nfs/dbraw/zinc/45/49/93/598454993.db2.gz SVZZYYXCLDDRQC-UHFFFAOYSA-N 1 0 394.479 2.356 20 0 GEADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736828312 598463612 /nfs/dbraw/zinc/46/36/12/598463612.db2.gz NBRIDZNXDRLGCO-UHFFFAOYSA-N 1 0 391.479 2.246 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000735734853 598466909 /nfs/dbraw/zinc/46/69/09/598466909.db2.gz PHFPULPPOBOAID-LPHOPBHVSA-N 1 0 398.511 2.357 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000736168619 598501074 /nfs/dbraw/zinc/50/10/74/598501074.db2.gz IWZWQCFLQOBNSE-DOTOQJQBSA-N 1 0 384.484 2.111 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1)[N@H+](C)C1CC1 ZINC000736026027 598502256 /nfs/dbraw/zinc/50/22/56/598502256.db2.gz LXZKODCUYVYZKB-ZDUSSCGKSA-N 1 0 396.451 2.251 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000736765179 598510946 /nfs/dbraw/zinc/51/09/46/598510946.db2.gz VHLXDDCGPGTSQC-CQSZACIVSA-N 1 0 396.451 2.205 20 0 GEADRO Clc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(Cl)c1 ZINC000737577210 598517490 /nfs/dbraw/zinc/51/74/90/598517490.db2.gz VBYQUOPITCOMKW-SECBINFHSA-N 1 0 379.255 2.202 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)C2 ZINC000738424532 598517597 /nfs/dbraw/zinc/51/75/97/598517597.db2.gz DXTMSUGKQHPITD-HNNXBMFYSA-N 1 0 386.463 2.484 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCC13CC4CC(CC(C4)C1)C3)C2 ZINC000738450757 598519731 /nfs/dbraw/zinc/51/97/31/598519731.db2.gz WZVGHWJDZBVUJA-FYMRZPMTSA-N 1 0 382.516 2.301 20 0 GEADRO Fc1cccc2c1SCC[C@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737666462 598520507 /nfs/dbraw/zinc/52/05/07/598520507.db2.gz XWARYHQZBOGIRX-IINYFYTJSA-N 1 0 386.460 2.071 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1C(F)(F)F ZINC000736137133 598524509 /nfs/dbraw/zinc/52/45/09/598524509.db2.gz VTEHEDOXGNPDTF-MNOVXSKESA-N 1 0 392.389 2.475 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)c(Cl)c1 ZINC000736132817 598525380 /nfs/dbraw/zinc/52/53/80/598525380.db2.gz DKYCCNLIOFGXMV-NXEZZACHSA-N 1 0 376.827 2.248 20 0 GEADRO CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736491196 598527534 /nfs/dbraw/zinc/52/75/34/598527534.db2.gz TXKBMGSTSMSHLN-KGLIPLIRSA-N 1 0 382.472 2.245 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000737190273 598536241 /nfs/dbraw/zinc/53/62/41/598536241.db2.gz WZWHDEGFLLVPKQ-LLVKDONJSA-N 1 0 399.524 2.075 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736530246 598555856 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CC(C)c1cc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ncn1 ZINC000735922561 598636953 /nfs/dbraw/zinc/63/69/53/598636953.db2.gz LRFHCJICVTXOSF-UHFFFAOYSA-N 1 0 378.484 2.492 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000737833225 598655414 /nfs/dbraw/zinc/65/54/14/598655414.db2.gz QPCUBMJLGJWNFW-QGZVFWFLSA-N 1 0 384.484 2.113 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736868474 598665181 /nfs/dbraw/zinc/66/51/81/598665181.db2.gz RQHQMUXWVADWRA-UHFFFAOYSA-N 1 0 384.875 2.279 20 0 GEADRO C[C@H](CNC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736184734 598665972 /nfs/dbraw/zinc/66/59/72/598665972.db2.gz MXUGWIXVXSOPTA-CVEARBPZSA-N 1 0 394.479 2.271 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000736184737 598666126 /nfs/dbraw/zinc/66/61/26/598666126.db2.gz MXUGWIXVXSOPTA-JKSUJKDBSA-N 1 0 394.479 2.271 20 0 GEADRO O=C(COc1ccccc1-c1nn[nH]n1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000737925551 598669283 /nfs/dbraw/zinc/66/92/83/598669283.db2.gz VCUAXOGJLGDVBJ-QGZVFWFLSA-N 1 0 398.511 2.360 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736568461 598694622 /nfs/dbraw/zinc/69/46/22/598694622.db2.gz CDFYLURMNRXXMP-QGZVFWFLSA-N 1 0 386.500 2.406 20 0 GEADRO C[NH+](C)CCCOc1cccc(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736767299 598697455 /nfs/dbraw/zinc/69/74/55/598697455.db2.gz OHTXSWGTFSHPDC-UHFFFAOYSA-N 1 0 395.467 2.248 20 0 GEADRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC ZINC000736322266 598703168 /nfs/dbraw/zinc/70/31/68/598703168.db2.gz JZFPAQMCIAXSBQ-CYBMUJFWSA-N 1 0 391.520 2.238 20 0 GEADRO COCC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1ccc2c(c1)OCO2 ZINC000736994353 598727464 /nfs/dbraw/zinc/72/74/64/598727464.db2.gz GKSLIWOPAUTGCS-UHFFFAOYSA-N 1 0 397.435 2.123 20 0 GEADRO COCC[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1ccc2c(c1)OCO2 ZINC000736994075 598727750 /nfs/dbraw/zinc/72/77/50/598727750.db2.gz CTXJIKYRQHVSSW-UHFFFAOYSA-N 1 0 397.435 2.123 20 0 GEADRO C[C@@H]1CCc2c(sc(NC(=O)CC[NH+]3CCSCC3)c2-c2nn[nH]n2)C1 ZINC000736279845 598758367 /nfs/dbraw/zinc/75/83/67/598758367.db2.gz NOIYSJXBGLOSGB-LLVKDONJSA-N 1 0 392.554 2.430 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000736637902 598760506 /nfs/dbraw/zinc/76/05/06/598760506.db2.gz UOOSKQCOOQZOHG-HOTGVXAUSA-N 1 0 385.472 2.356 20 0 GEADRO Cc1nccc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737499587 598761043 /nfs/dbraw/zinc/76/10/43/598761043.db2.gz MBUKRFBXDQHANX-HNNXBMFYSA-N 1 0 392.467 2.173 20 0 GEADRO COc1ccccc1C(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737139166 598764287 /nfs/dbraw/zinc/76/42/87/598764287.db2.gz UERYAJGIFINAJO-OAHLLOKOSA-N 1 0 383.452 2.140 20 0 GEADRO O=C1[C@@H]([N@@H+]2CC[C@@H](Nc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291564 598764469 /nfs/dbraw/zinc/76/44/69/598764469.db2.gz VHIZWJWMQJDSFO-MJGOQNOKSA-N 1 0 389.463 2.158 20 0 GEADRO Cc1cccc(C)c1OCCC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000737388238 598795855 /nfs/dbraw/zinc/79/58/55/598795855.db2.gz DBUZNTCFPPEPGK-UHFFFAOYSA-N 1 0 393.495 2.470 20 0 GEADRO Cc1cc(C)c(-c2nn[nH]n2)c(NCCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000737241559 598797566 /nfs/dbraw/zinc/79/75/66/598797566.db2.gz RVFBIDVXQVKNPK-UHFFFAOYSA-N 1 0 381.484 2.474 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000736247537 598811598 /nfs/dbraw/zinc/81/15/98/598811598.db2.gz FOLMVBYLPGAHNR-KBPBESRZSA-N 1 0 380.456 2.254 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[nH]n1 ZINC000736533488 598812220 /nfs/dbraw/zinc/81/22/20/598812220.db2.gz HJJVWJOJNGJYBS-LLVKDONJSA-N 1 0 389.529 2.321 20 0 GEADRO O=C(CCCC[NH+]1CCCC1)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737824870 598817654 /nfs/dbraw/zinc/81/76/54/598817654.db2.gz JBWLGNODRRMBCS-UHFFFAOYSA-N 1 0 397.527 2.172 20 0 GEADRO CC(C)[C@H](C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1CCCCC1 ZINC000735692846 598819156 /nfs/dbraw/zinc/81/91/56/598819156.db2.gz UVXQATBNJARKOR-LJQANCHMSA-N 1 0 397.527 2.026 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C=Cc1cncc(F)c1 ZINC000736767627 598819581 /nfs/dbraw/zinc/81/95/81/598819581.db2.gz RQXOMJFWPFXKOZ-SREVYHEPSA-N 1 0 395.442 2.004 20 0 GEADRO C[C@H]1CN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C[C@@H]1[NH+](C)C ZINC000736290788 599297862 /nfs/dbraw/zinc/29/78/62/599297862.db2.gz JRBIPAANPLIOBF-GUYCJALGSA-N 1 0 396.451 2.061 20 0 GEADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736409774 599301037 /nfs/dbraw/zinc/30/10/37/599301037.db2.gz NFGJONLTKWNCLU-PBHICJAKSA-N 1 0 384.484 2.002 20 0 GEADRO Cc1ccc([C@@H](O)C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000822230933 599305162 /nfs/dbraw/zinc/30/51/62/599305162.db2.gz VOFIYTHYMPQZHE-FQEVSTJZSA-N 1 0 378.480 2.421 20 0 GEADRO Cc1ccc([C@H](O)C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000822230934 599305365 /nfs/dbraw/zinc/30/53/65/599305365.db2.gz VOFIYTHYMPQZHE-HXUWFJFHSA-N 1 0 378.480 2.421 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000738388850 599321022 /nfs/dbraw/zinc/32/10/22/599321022.db2.gz HSRLTDRTUNPELP-IAGOWNOFSA-N 1 0 399.886 2.104 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821188948 599330389 /nfs/dbraw/zinc/33/03/89/599330389.db2.gz HGVUPQJDJNYBKF-MRXNPFEDSA-N 1 0 395.515 2.055 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)Nc1ccccc1F ZINC000820410345 599389415 /nfs/dbraw/zinc/38/94/15/599389415.db2.gz DSGPHQHVGZVYKB-VXGBXAGGSA-N 1 0 397.414 2.393 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000820410029 599389501 /nfs/dbraw/zinc/38/95/01/599389501.db2.gz CBPBKMJDNUTGOY-QWHCGFSZSA-N 1 0 394.435 2.316 20 0 GEADRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821898174 599390548 /nfs/dbraw/zinc/39/05/48/599390548.db2.gz NPDKKAWDJJDKBI-KGLIPLIRSA-N 1 0 380.452 2.231 20 0 GEADRO COc1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821804822 599396420 /nfs/dbraw/zinc/39/64/20/599396420.db2.gz PMBGRYRPXRTMEE-IBGZPJMESA-N 1 0 394.479 2.038 20 0 GEADRO COc1ccc(C[NH2+]CC2(N3CCSCC3)CCCC2)cc1-c1nn[nH]n1 ZINC000821808491 599404330 /nfs/dbraw/zinc/40/43/30/599404330.db2.gz HHKOVVZIILQXTB-UHFFFAOYSA-N 1 0 388.541 2.327 20 0 GEADRO COCc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000821695028 599425721 /nfs/dbraw/zinc/42/57/21/599425721.db2.gz FTVMDLVOFITZOE-UHFFFAOYSA-N 1 0 379.468 2.167 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000736860231 599433724 /nfs/dbraw/zinc/43/37/24/599433724.db2.gz MRZTUMYGVMCXPZ-INIZCTEOSA-N 1 0 392.511 2.021 20 0 GEADRO COc1cc2c(c(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)c1)O[C@H](C)C2 ZINC000821717272 599450985 /nfs/dbraw/zinc/45/09/85/599450985.db2.gz MZGBRKOHYDICGL-CYBMUJFWSA-N 1 0 381.436 2.367 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1Cl ZINC000736135325 599451061 /nfs/dbraw/zinc/45/10/61/599451061.db2.gz PKACPRQROZRWID-NXEZZACHSA-N 1 0 376.827 2.248 20 0 GEADRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000821805705 599454381 /nfs/dbraw/zinc/45/43/81/599454381.db2.gz WIQYSRUXJQCEJC-GUYCJALGSA-N 1 0 378.436 2.159 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736238736 599478913 /nfs/dbraw/zinc/47/89/13/599478913.db2.gz ZVVXCAAAYSSCPF-KDOFPFPSSA-N 1 0 394.454 2.500 20 0 GEADRO CCc1ccc([C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N(C)C)cc1 ZINC000736689500 599482350 /nfs/dbraw/zinc/48/23/50/599482350.db2.gz YFVLPGGWSFTERN-LJQANCHMSA-N 1 0 390.495 2.469 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000738412130 599485894 /nfs/dbraw/zinc/48/58/94/599485894.db2.gz AOIXMEQQXQKKQM-UHFFFAOYSA-N 1 0 389.467 2.190 20 0 GEADRO COc1ccccc1C1(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000737145130 599489186 /nfs/dbraw/zinc/48/91/86/599489186.db2.gz BLNGQFUHIQMHNI-UHFFFAOYSA-N 1 0 375.436 2.344 20 0 GEADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[NH+]1CCCCCC1 ZINC000736988938 599504897 /nfs/dbraw/zinc/50/48/97/599504897.db2.gz XWWQMXAMWSQSJX-UHFFFAOYSA-N 1 0 389.504 2.136 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000736149697 599524002 /nfs/dbraw/zinc/52/40/02/599524002.db2.gz WBHLKERICYUVBJ-LBPRGKRZSA-N 1 0 398.433 2.415 20 0 GEADRO C[C@H]1CN(c2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820778985 599531016 /nfs/dbraw/zinc/53/10/16/599531016.db2.gz ZSPZTUCFRXTQHV-IFXJQAMLSA-N 1 0 382.443 2.250 20 0 GEADRO COCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)C[C@H]1C ZINC000821691040 599534884 /nfs/dbraw/zinc/53/48/84/599534884.db2.gz GEMVCVKSJOMLFT-CYBMUJFWSA-N 1 0 385.447 2.019 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000821625648 599544843 /nfs/dbraw/zinc/54/48/43/599544843.db2.gz SPAKANKFHCHQBI-MRXNPFEDSA-N 1 0 392.511 2.021 20 0 GEADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000821196607 599546128 /nfs/dbraw/zinc/54/61/28/599546128.db2.gz BWFYDCHPOTYJFE-KRWDZBQOSA-N 1 0 391.479 2.246 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736849787 599565686 /nfs/dbraw/zinc/56/56/86/599565686.db2.gz XBGZBTANWXPKMA-CQSZACIVSA-N 1 0 377.452 2.292 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736857568 599569801 /nfs/dbraw/zinc/56/98/01/599569801.db2.gz ORLRKUAQVPDWDW-SFHVURJKSA-N 1 0 377.452 2.434 20 0 GEADRO c1cc(-c2nnc(CN3CCC[C@H]3C[NH+]3CCCCC3)o2)ccc1-c1nn[nH]n1 ZINC000823738607 599573319 /nfs/dbraw/zinc/57/33/19/599573319.db2.gz WEPIGGOQGUPJBJ-KRWDZBQOSA-N 1 0 394.483 2.367 20 0 GEADRO COC[C@@H](C)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCCC1 ZINC000736970648 599575963 /nfs/dbraw/zinc/57/59/63/599575963.db2.gz QHXAACJHFBSQSW-GFCCVEGCSA-N 1 0 389.504 2.353 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC[C@H]([NH+]4CCCC4)CC3)o2)c1 ZINC000823738188 599577445 /nfs/dbraw/zinc/57/74/45/599577445.db2.gz PSIQSEBYPZGXOC-KRWDZBQOSA-N 1 0 394.483 2.367 20 0 GEADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000819939438 599588358 /nfs/dbraw/zinc/58/83/58/599588358.db2.gz BWPYUQNPJOMCLV-CQSZACIVSA-N 1 0 388.472 2.235 20 0 GEADRO C[C@H]1C[C@@H](Nc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)CC[N@@H+]1C ZINC000820666269 599589748 /nfs/dbraw/zinc/58/97/48/599589748.db2.gz HLTFPNSVJUMTSU-QWRGUYRKSA-N 1 0 389.410 2.333 20 0 GEADRO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335126 599589811 /nfs/dbraw/zinc/58/98/11/599589811.db2.gz QHCDPJXKQSXVPD-APWZRJJASA-N 1 0 381.480 2.478 20 0 GEADRO COc1ccccc1[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737148240 599592732 /nfs/dbraw/zinc/59/27/32/599592732.db2.gz PNOZYQTYJYNZTL-DLBZAZTESA-N 1 0 395.463 2.105 20 0 GEADRO C[NH+]1CCC(NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736855187 599602789 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C[C@@]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)(C(=O)[O-])C1CC1 ZINC000827728328 601038272 /nfs/dbraw/zinc/03/82/72/601038272.db2.gz REVGAJAUCOEODL-IBGZPJMESA-N 1 0 377.510 2.017 20 0 GEADRO COc1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1-c1nn[nH]n1 ZINC000826193531 607486652 /nfs/dbraw/zinc/48/66/52/607486652.db2.gz GQULNKFACMOJGC-CALCHBBNSA-N 1 0 376.464 2.444 20 0 GEADRO COc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1-c1nn[nH]n1 ZINC000826193530 607491267 /nfs/dbraw/zinc/49/12/67/607491267.db2.gz GPYFHHBNODLUOH-CQSZACIVSA-N 1 0 386.500 2.248 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823246271 607497232 /nfs/dbraw/zinc/49/72/32/607497232.db2.gz JACDMZPZUJDVDC-WMZOPIPTSA-N 1 0 381.484 2.025 20 0 GEADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826435224 607511788 /nfs/dbraw/zinc/51/17/88/607511788.db2.gz JGLVTGUUNQRHIZ-QGZVFWFLSA-N 1 0 377.452 2.046 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[NH+](CCc2cccs2)CC1 ZINC000826183334 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CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000825381099 607703993 /nfs/dbraw/zinc/70/39/93/607703993.db2.gz ZLUJJZAGWZCOGQ-ZBFHGGJFSA-N 1 0 379.468 2.492 20 0 GEADRO C[C@@H](CCNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000833515147 605054247 /nfs/dbraw/zinc/05/42/47/605054247.db2.gz MPEBTQJVRVEYFN-ZWKOTPCHSA-N 1 0 390.528 2.087 20 0 GEADRO CN(CC(C)(C)C[NH+]1CCOCC1)c1cc(-c2nn[nH]n2)nc2ccccc21 ZINC000825898041 607735045 /nfs/dbraw/zinc/73/50/45/607735045.db2.gz WQQYGHQZLSBVRA-UHFFFAOYSA-N 1 0 381.484 2.210 20 0 GEADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000833622038 605135606 /nfs/dbraw/zinc/13/56/06/605135606.db2.gz DRSIYEWRRYVGQR-HOTGVXAUSA-N 1 0 394.541 2.075 20 0 GEADRO O=C([O-])CCC[NH+]1CCC([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)CC1 ZINC000833773869 605223195 /nfs/dbraw/zinc/22/31/95/605223195.db2.gz UGQDOVQSRIORCJ-HXUWFJFHSA-N 1 0 393.503 2.118 20 0 GEADRO O=C([O-])CCC[NH+]1CCC([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 ZINC000833773868 605223225 /nfs/dbraw/zinc/22/32/25/605223225.db2.gz UGQDOVQSRIORCJ-FQEVSTJZSA-N 1 0 393.503 2.118 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@@H+]1CCC(=O)[O-] ZINC000833619181 605275240 /nfs/dbraw/zinc/27/52/40/605275240.db2.gz SVNHVOJTZWSSKU-SJLPKXTDSA-N 1 0 391.487 2.045 20 0 GEADRO CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)O1 ZINC000833576174 605349212 /nfs/dbraw/zinc/34/92/12/605349212.db2.gz HKYFTERTSNCZKU-IBGZPJMESA-N 1 0 379.545 2.262 20 0 GEADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000824984405 607751260 /nfs/dbraw/zinc/75/12/60/607751260.db2.gz JOPOQMAODHXSBX-UOIKSKOESA-N 1 0 379.468 2.081 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)CC1(O)CCCC1 ZINC000825914794 607755233 /nfs/dbraw/zinc/75/52/33/607755233.db2.gz OIHIZDUYVSIZPG-UHFFFAOYSA-N 1 0 378.864 2.086 20 0 GEADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000824046475 607756654 /nfs/dbraw/zinc/75/66/54/607756654.db2.gz SJNYPKSKPOCIRX-CQSZACIVSA-N 1 0 384.484 2.332 20 0 GEADRO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C[C@@H]3CCCN3C(=O)[O-])cn2)CC1 ZINC000827229051 605489680 /nfs/dbraw/zinc/48/96/80/605489680.db2.gz SSQDMIXMVDLMDQ-WMZOPIPTSA-N 1 0 375.517 2.234 20 0 GEADRO CCOC(=O)Nc1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1-c1nn[nH]n1 ZINC000825532593 607761104 /nfs/dbraw/zinc/76/11/04/607761104.db2.gz UUXDNTXJWCURQO-RYUDHWBXSA-N 1 0 387.444 2.246 20 0 GEADRO O=C(COc1cccc(-c2nn[nH]n2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826417948 607767674 /nfs/dbraw/zinc/76/76/74/607767674.db2.gz LTVVUEWEXMVOAF-UHFFFAOYSA-N 1 0 398.511 2.360 20 0 GEADRO CC(C)[NH+](CCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000820116604 606028484 /nfs/dbraw/zinc/02/84/84/606028484.db2.gz KPIBDHDPXFKWDU-LJQANCHMSA-N 1 0 399.543 2.461 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820340940 606056665 /nfs/dbraw/zinc/05/66/65/606056665.db2.gz NWSJWQTZCGMFEN-ZBFHGGJFSA-N 1 0 383.500 2.301 20 0 GEADRO CC(C)[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820044547 606081596 /nfs/dbraw/zinc/08/15/96/606081596.db2.gz HCDUCFMGWQHTAS-MRXNPFEDSA-N 1 0 391.907 2.121 20 0 GEADRO NC(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000822874194 606090192 /nfs/dbraw/zinc/09/01/92/606090192.db2.gz UHORJYCKIITWEB-UHFFFAOYSA-N 1 0 377.452 2.166 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000821596799 606097631 /nfs/dbraw/zinc/09/76/31/606097631.db2.gz VOAYXDVMIZWOHL-HNNXBMFYSA-N 1 0 394.483 2.080 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000822194948 606101344 /nfs/dbraw/zinc/10/13/44/606101344.db2.gz BDNDYJZOFCNBDX-MRXNPFEDSA-N 1 0 393.495 2.190 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000445711652 649964224 /nfs/dbraw/zinc/96/42/24/649964224.db2.gz JUNVUIBUNFLDAO-KBPBESRZSA-N 1 0 380.457 2.304 20 0 GEADRO COC1CCC([N@H+](C)CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000821679694 606112037 /nfs/dbraw/zinc/11/20/37/606112037.db2.gz IKQNKYGMEWFSFY-UHFFFAOYSA-N 1 0 378.502 2.373 20 0 GEADRO c1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000823742637 606118241 /nfs/dbraw/zinc/11/82/41/606118241.db2.gz JPQNWDVBNWDLKZ-LJQANCHMSA-N 1 0 387.484 2.296 20 0 GEADRO O[C@@]1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCSC1 ZINC000823698514 606166816 /nfs/dbraw/zinc/16/68/16/606166816.db2.gz QOIPHFCIXUEOEU-HXUWFJFHSA-N 1 0 397.504 2.403 20 0 GEADRO Cc1cc(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000822207538 606191745 /nfs/dbraw/zinc/19/17/45/606191745.db2.gz ZEMIAFSWZUDKSQ-UHFFFAOYSA-N 1 0 394.483 2.210 20 0 GEADRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821638957 606195330 /nfs/dbraw/zinc/19/53/30/606195330.db2.gz LYXMVICMCNNPKG-KBXCAEBGSA-N 1 0 381.436 2.386 20 0 GEADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cn2)C[C@H](C)O1 ZINC000820767618 606211567 /nfs/dbraw/zinc/21/15/67/606211567.db2.gz JACGBLQHHQIUEU-BETUJISGSA-N 1 0 385.497 2.227 20 0 GEADRO COc1ccc([C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[NH+]2CCCCC2)cc1 ZINC000821778322 606247094 /nfs/dbraw/zinc/24/70/94/606247094.db2.gz YIGIBPYFZXRFES-GOSISDBHSA-N 1 0 395.467 2.160 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000821001345 606275205 /nfs/dbraw/zinc/27/52/05/606275205.db2.gz QMUMLIPKIVGSKT-HOTGVXAUSA-N 1 0 386.525 2.434 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000820033015 606282139 /nfs/dbraw/zinc/28/21/39/606282139.db2.gz RKUMULGWFJCHDR-PBHICJAKSA-N 1 0 388.516 2.363 20 0 GEADRO Cc1ccc([C@H](CNC(=O)c2cc(-c3nn[nH]n3)cn2C)[NH+]2CCCC2)cc1 ZINC000822230585 606284773 /nfs/dbraw/zinc/28/47/73/606284773.db2.gz KNCXGVADLAPEHB-SFHVURJKSA-N 1 0 379.468 2.081 20 0 GEADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000821651722 606319120 /nfs/dbraw/zinc/31/91/20/606319120.db2.gz FMZWFQOFPQZOGL-QXGSTGNESA-N 1 0 398.511 2.418 20 0 GEADRO CCCO[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000821127211 606322286 /nfs/dbraw/zinc/32/22/86/606322286.db2.gz CYHPETUCJCUTAI-DZGCQCFKSA-N 1 0 390.513 2.315 20 0 GEADRO O=C1[C@@H]([NH+]2CCc3ccccc3CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503529 606324920 /nfs/dbraw/zinc/32/49/20/606324920.db2.gz GIPYHMYNDPSKBC-INIZCTEOSA-N 1 0 380.477 2.134 20 0 GEADRO COc1ccccc1C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000821889497 606328169 /nfs/dbraw/zinc/32/81/69/606328169.db2.gz BXJUUJWXDDSOEB-PKOBYXMFSA-N 1 0 394.479 2.259 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)NCC2([NH+](C)C)CCC2)ccc1Br ZINC000445849552 649965253 /nfs/dbraw/zinc/96/52/53/649965253.db2.gz PLHDNMAMQXCMIH-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821000634 606333702 /nfs/dbraw/zinc/33/37/02/606333702.db2.gz HMCRAWFODABHEX-ROUUACIJSA-N 1 0 383.500 2.144 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000821001512 606334273 /nfs/dbraw/zinc/33/42/73/606334273.db2.gz RHKVWAQLCPLXDK-SJORKVTESA-N 1 0 386.500 2.203 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000823 606334427 /nfs/dbraw/zinc/33/44/27/606334427.db2.gz JZRCDLDUCQCHQO-ZWKOTPCHSA-N 1 0 383.500 2.144 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821000636 606334438 /nfs/dbraw/zinc/33/44/38/606334438.db2.gz HMCRAWFODABHEX-ZWKOTPCHSA-N 1 0 383.500 2.144 20 0 GEADRO CCCCN(C(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000445887857 649965578 /nfs/dbraw/zinc/96/55/78/649965578.db2.gz SCJJOZUXZBXAOX-KBPBESRZSA-N 1 0 386.480 2.369 20 0 GEADRO C[C@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820368258 606381661 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OHYULRTVNCZZBU-LERXQTSPSA-N 1 0 382.390 2.351 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000823308535 606485066 /nfs/dbraw/zinc/48/50/66/606485066.db2.gz DJFYBMDXEPCKEU-UHFFFAOYSA-N 1 0 393.451 2.467 20 0 GEADRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821275787 606495196 /nfs/dbraw/zinc/49/51/96/606495196.db2.gz DLLAEECCLPCFFA-UHFFFAOYSA-N 1 0 391.479 2.190 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000823093032 606520470 /nfs/dbraw/zinc/52/04/70/606520470.db2.gz SJWZJTSJHMRTGP-LJQANCHMSA-N 1 0 376.464 2.363 20 0 GEADRO COC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000821684807 606521341 /nfs/dbraw/zinc/52/13/41/606521341.db2.gz LDQHWNXCASEKOM-LBPRGKRZSA-N 1 0 390.513 2.246 20 0 GEADRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(-c4nn[nH]n4)s3)CC2)c1 ZINC000821867306 606527426 /nfs/dbraw/zinc/52/74/26/606527426.db2.gz BJIAXOZVGJHHOP-UHFFFAOYSA-N 1 0 398.492 2.331 20 0 GEADRO C[NH+](C)CCCOc1ccc(CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821584427 606550666 /nfs/dbraw/zinc/55/06/66/606550666.db2.gz CWDKNWCGFGFSGD-UHFFFAOYSA-N 1 0 394.479 2.056 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821266281 606556788 /nfs/dbraw/zinc/55/67/88/606556788.db2.gz AHDRTNGIMLTXQP-HNNXBMFYSA-N 1 0 397.508 2.450 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820758905 606584015 /nfs/dbraw/zinc/58/40/15/606584015.db2.gz FSKIUFSGOIEELT-UZLBHIALSA-N 1 0 390.491 2.436 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000822534875 606586065 /nfs/dbraw/zinc/58/60/65/606586065.db2.gz AVPQKSKDPYRVCV-KBPBESRZSA-N 1 0 383.456 2.161 20 0 GEADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000823363634 606591149 /nfs/dbraw/zinc/59/11/49/606591149.db2.gz KJKXAHFIIHSOAF-UHFFFAOYSA-N 1 0 378.436 2.076 20 0 GEADRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820421036 606619920 /nfs/dbraw/zinc/61/99/20/606619920.db2.gz ZXHWMWYAPVRXNY-OZVIIMIRSA-N 1 0 392.891 2.498 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850512 606622306 /nfs/dbraw/zinc/62/23/06/606622306.db2.gz IUQMOJGEENZCMM-DLBZAZTESA-N 1 0 380.477 2.013 20 0 GEADRO C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)C1([NH+]2CCOCC2)CCCC1 ZINC000820321673 606639285 /nfs/dbraw/zinc/63/92/85/606639285.db2.gz KPAOXUNXBTWBOX-ROJDOSBLSA-N 1 0 396.495 2.030 20 0 GEADRO C[C@@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000820380038 606645595 /nfs/dbraw/zinc/64/55/95/606645595.db2.gz JZKJIXVSWXKEMR-CQSZACIVSA-N 1 0 385.472 2.022 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000823107626 606657761 /nfs/dbraw/zinc/65/77/61/606657761.db2.gz BWFBVZGQFPPHMT-UHFFFAOYSA-N 1 0 392.463 2.005 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)Cc1ccccc1 ZINC000821579711 606662566 /nfs/dbraw/zinc/66/25/66/606662566.db2.gz LHYNZFHTMVYOSH-AWEZNQCLSA-N 1 0 386.406 2.048 20 0 GEADRO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000823454077 606673945 /nfs/dbraw/zinc/67/39/45/606673945.db2.gz LDSRYFKQQQVKPP-UHFFFAOYSA-N 1 0 376.411 2.235 20 0 GEADRO C[C@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[N@H+](C)Cc1ccccc1 ZINC000820270092 606678651 /nfs/dbraw/zinc/67/86/51/606678651.db2.gz UYABRGRPYFSBCF-GFCCVEGCSA-N 1 0 386.406 2.395 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821002221 606685848 /nfs/dbraw/zinc/68/58/48/606685848.db2.gz VBSFOBUPEOPYKW-QWHCGFSZSA-N 1 0 376.411 2.234 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821614530 606687649 /nfs/dbraw/zinc/68/76/49/606687649.db2.gz JXUDROLURVVJPM-OAHLLOKOSA-N 1 0 398.417 2.491 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000821240598 606692681 /nfs/dbraw/zinc/69/26/81/606692681.db2.gz HSJSFIGOVVKYNO-CXAGYDPISA-N 1 0 393.451 2.124 20 0 GEADRO CCC1(CC)CC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820955738 606705177 /nfs/dbraw/zinc/70/51/77/606705177.db2.gz FPCVXNOTTLNUNO-IBGZPJMESA-N 1 0 397.483 2.103 20 0 GEADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000820760679 606748499 /nfs/dbraw/zinc/74/84/99/606748499.db2.gz RNJNYCUKCDYFIC-GJZGRUSLSA-N 1 0 391.479 2.148 20 0 GEADRO CC(C)COC(=O)N1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820096879 606771794 /nfs/dbraw/zinc/77/17/94/606771794.db2.gz HXBBVBVROMCJOY-UHFFFAOYSA-N 1 0 388.472 2.092 20 0 GEADRO CC(C)(C)CC(=O)N1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819907086 606772037 /nfs/dbraw/zinc/77/20/37/606772037.db2.gz MANJINIGKFDCAC-UHFFFAOYSA-N 1 0 386.500 2.262 20 0 GEADRO C[N@H+](CCOCc1ccccc1)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821603892 606773913 /nfs/dbraw/zinc/77/39/13/606773913.db2.gz TVBCPQGGOQGCQM-UHFFFAOYSA-N 1 0 380.452 2.344 20 0 GEADRO C[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C[C@@H]1[NH+](C)C 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C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000824731198 608007579 /nfs/dbraw/zinc/00/75/79/608007579.db2.gz TTYYBBHFTGJKIB-GDIGMMSISA-N 1 0 392.463 2.196 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccccc2C)c1-c1nn[nH]n1 ZINC000826077600 608019698 /nfs/dbraw/zinc/01/96/98/608019698.db2.gz NZFXOYNLTHHGCU-ZDUSSCGKSA-N 1 0 382.472 2.183 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1-c1nn[nH]n1 ZINC000826077578 608021114 /nfs/dbraw/zinc/02/11/14/608021114.db2.gz NCSVQKNZGCCLSG-BFHYXJOUSA-N 1 0 386.504 2.287 20 0 GEADRO COc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC2 ZINC000826213164 608038121 /nfs/dbraw/zinc/03/81/21/608038121.db2.gz MYLUSGCLTCZEAD-UHFFFAOYSA-N 1 0 398.492 2.366 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1-c1nn[nH]n1 ZINC000826202965 608101126 /nfs/dbraw/zinc/10/11/26/608101126.db2.gz ULLSKORDKXIWSD-OAHLLOKOSA-N 1 0 377.807 2.491 20 0 GEADRO O=C(CC[N@@H+]1CCOCC12CCCC2)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407683 608105235 /nfs/dbraw/zinc/10/52/35/608105235.db2.gz WULCATGNNRGWEK-UHFFFAOYSA-N 1 0 390.875 2.494 20 0 GEADRO Cc1cc(C)cc([C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264107 608128416 /nfs/dbraw/zinc/12/84/16/608128416.db2.gz CCZZDSSUPNKPIL-HKUYNNGSSA-N 1 0 376.464 2.499 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCCC(F)(F)F ZINC000825865452 608157246 /nfs/dbraw/zinc/15/72/46/608157246.db2.gz FSXXQGWFOUIELZ-UHFFFAOYSA-N 1 0 384.406 2.490 20 0 GEADRO S=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000826512150 608219320 /nfs/dbraw/zinc/21/93/20/608219320.db2.gz QEJOVCCWMDSYBR-UHFFFAOYSA-N 1 0 394.508 2.465 20 0 GEADRO c1cc2nc(NC3CC[NH+](C[C@H]4CCCO4)CC3)ccc2cc1-c1nn[nH]n1 ZINC000826518487 608224212 /nfs/dbraw/zinc/22/42/12/608224212.db2.gz PEQXEWKGCHJCRZ-QGZVFWFLSA-N 1 0 379.468 2.470 20 0 GEADRO CC(=O)N1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC12CCCCC2 ZINC000823981420 608254984 /nfs/dbraw/zinc/25/49/84/608254984.db2.gz NOOWHQSNYLTRES-UHFFFAOYSA-N 1 0 384.484 2.113 20 0 GEADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000825192826 608264134 /nfs/dbraw/zinc/26/41/34/608264134.db2.gz JFGUIRPGHDCKSA-KGLIPLIRSA-N 1 0 380.456 2.254 20 0 GEADRO C[C@H](CCO)[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000824406386 608267360 /nfs/dbraw/zinc/26/73/60/608267360.db2.gz INCGVRZIVMZYEF-MRXNPFEDSA-N 1 0 394.479 2.468 20 0 GEADRO c1c2c(nc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c1-c1nn[nH]n1)CCCC2 ZINC000826512397 608274943 /nfs/dbraw/zinc/27/49/43/608274943.db2.gz ZCYPZQCYKBNVBE-INIZCTEOSA-N 1 0 383.500 2.196 20 0 GEADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000826417590 608276216 /nfs/dbraw/zinc/27/62/16/608276216.db2.gz WWMAWBQAQGCPRT-UHFFFAOYSA-N 1 0 397.435 2.294 20 0 GEADRO C[C@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CN1Cc1ccccc1 ZINC000824892516 608307208 /nfs/dbraw/zinc/30/72/08/608307208.db2.gz JOVLNMQNFREXSW-QFBILLFUSA-N 1 0 378.480 2.498 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c1-c1nn[nH]n1 ZINC000826332609 608313131 /nfs/dbraw/zinc/31/31/31/608313131.db2.gz ZIGFVCXIFUAUBU-ROUUACIJSA-N 1 0 392.511 2.419 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000824730893 608314638 /nfs/dbraw/zinc/31/46/38/608314638.db2.gz QOXGUKSUOODCCX-OAHLLOKOSA-N 1 0 386.500 2.214 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1-c1nn[nH]n1 ZINC000826332061 608315346 /nfs/dbraw/zinc/31/53/46/608315346.db2.gz ILJGINAVQOIIGC-QAPCUYQASA-N 1 0 392.511 2.419 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C(C)(C)C1 ZINC000826038325 608316476 /nfs/dbraw/zinc/31/64/76/608316476.db2.gz JWIUQWNHNKPBHX-UHFFFAOYSA-N 1 0 393.451 2.220 20 0 GEADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000825233815 608355565 /nfs/dbraw/zinc/35/55/65/608355565.db2.gz SCTIDJPZZUWMMI-WMLDXEAASA-N 1 0 386.500 2.392 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000826167400 608357580 /nfs/dbraw/zinc/35/75/80/608357580.db2.gz BZFRZGLNLIZQOW-KRWDZBQOSA-N 1 0 394.483 2.075 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000826168479 608358295 /nfs/dbraw/zinc/35/82/95/608358295.db2.gz OMTUDMRLTPNSKI-UHFFFAOYSA-N 1 0 396.451 2.171 20 0 GEADRO C[N@@H+]1CCCC12CCN(CC(=O)Nc1ccc(-c3nn[nH]n3)c(Cl)c1)CC2 ZINC000826033727 608381993 /nfs/dbraw/zinc/38/19/93/608381993.db2.gz IKXQKJYUZQTUOW-UHFFFAOYSA-N 1 0 389.891 2.019 20 0 GEADRO C[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2F)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000824983556 608391841 /nfs/dbraw/zinc/39/18/41/608391841.db2.gz BNAYKZNKPKKEBA-DNVCBOLYSA-N 1 0 396.470 2.246 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825069167 608406569 /nfs/dbraw/zinc/40/65/69/608406569.db2.gz YRIMZCHJRJGWFN-OAHLLOKOSA-N 1 0 383.500 2.396 20 0 GEADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000826495051 608417760 /nfs/dbraw/zinc/41/77/60/608417760.db2.gz ASEYZCUNFDIWMG-MRXNPFEDSA-N 1 0 396.476 2.040 20 0 GEADRO C[NH+](C)CC1CCN(c2ccc(Nc3ccc(-c4nn[nH]n4)nn3)cc2)CC1 ZINC000825859607 608421859 /nfs/dbraw/zinc/42/18/59/608421859.db2.gz HTJGJXOZYNEXNF-UHFFFAOYSA-N 1 0 379.472 2.178 20 0 GEADRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ccc(-c2nn[nH]n2)nn1 ZINC000825986299 608422778 /nfs/dbraw/zinc/42/27/78/608422778.db2.gz XYNPPSMLHLWMTL-UHFFFAOYSA-N 1 0 376.424 2.494 20 0 GEADRO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccc(-c5nn[nH]n5)nn4)C3)C2)cc1 ZINC000826521738 608428660 /nfs/dbraw/zinc/42/86/60/608428660.db2.gz XCVBCOBJDITILP-HXUWFJFHSA-N 1 0 376.468 2.149 20 0 GEADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824005077 608433005 /nfs/dbraw/zinc/43/30/05/608433005.db2.gz JUHQELYNVRJACU-LBPRGKRZSA-N 1 0 379.424 2.114 20 0 GEADRO O=C1CCCN1C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826480607 608442411 /nfs/dbraw/zinc/44/24/11/608442411.db2.gz JJVIZROUOFTVQN-IBGZPJMESA-N 1 0 392.463 2.199 20 0 GEADRO O=C1CCCN1C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000826480578 608443883 /nfs/dbraw/zinc/44/38/83/608443883.db2.gz HWPDMBWLVLNQCT-SFHVURJKSA-N 1 0 392.463 2.199 20 0 GEADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826177895 608446223 /nfs/dbraw/zinc/44/62/23/608446223.db2.gz ABAOJAVPFJNILJ-ZDUSSCGKSA-N 1 0 396.451 2.482 20 0 GEADRO CC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1OCC(=O)NC ZINC000825140804 608457908 /nfs/dbraw/zinc/45/79/08/608457908.db2.gz LNOLBPJLLYUOPE-KRWDZBQOSA-N 1 0 398.442 2.372 20 0 GEADRO CC(C)([NH2+]CCOc1ccccc1-c1nn[nH]n1)C(=O)NCC1CCCCC1 ZINC000824166276 608458206 /nfs/dbraw/zinc/45/82/06/608458206.db2.gz GUQGPHFSLBSIFM-UHFFFAOYSA-N 1 0 386.500 2.310 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562855 608459476 /nfs/dbraw/zinc/45/94/76/608459476.db2.gz KGHAZDJLFVGPDT-HNNXBMFYSA-N 1 0 376.464 2.365 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562856 608459488 /nfs/dbraw/zinc/45/94/88/608459488.db2.gz KGHAZDJLFVGPDT-OAHLLOKOSA-N 1 0 376.464 2.365 20 0 GEADRO CC[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000825140498 608470487 /nfs/dbraw/zinc/47/04/87/608470487.db2.gz JZVHITYZEDYPFN-IRXDYDNUSA-N 1 0 381.436 2.412 20 0 GEADRO CCOc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825649480 608471660 /nfs/dbraw/zinc/47/16/60/608471660.db2.gz QKLGXMQECVEMQU-WMLDXEAASA-N 1 0 383.452 2.356 20 0 GEADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825649518 608471798 /nfs/dbraw/zinc/47/17/98/608471798.db2.gz RAEVFEVHMLEASF-AWEZNQCLSA-N 1 0 380.452 2.232 20 0 GEADRO CCOc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825649482 608471873 /nfs/dbraw/zinc/47/18/73/608471873.db2.gz QKLGXMQECVEMQU-YOEHRIQHSA-N 1 0 383.452 2.356 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826187866 608472276 /nfs/dbraw/zinc/47/22/76/608472276.db2.gz GVZYCIRLZSRSAA-LBPRGKRZSA-N 1 0 382.424 2.173 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000825621372 608477747 /nfs/dbraw/zinc/47/77/47/608477747.db2.gz RFTLLZBKYQDSKI-GJZGRUSLSA-N 1 0 385.472 2.356 20 0 GEADRO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826216272 608485256 /nfs/dbraw/zinc/48/52/56/608485256.db2.gz QZAAUCALJNIIST-CQSZACIVSA-N 1 0 380.452 2.185 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)c1cccc(-c2nn[nH]n2)c1 ZINC000824554770 608489114 /nfs/dbraw/zinc/48/91/14/608489114.db2.gz SCOVFXTXPSTCDY-OHTICNEOSA-N 1 0 380.496 2.458 20 0 GEADRO c1cnc(N2CCC[C@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)nc1 ZINC000826525332 608502711 /nfs/dbraw/zinc/50/27/11/608502711.db2.gz FSDACOBPXIBUAK-WMZOPIPTSA-N 1 0 376.468 2.293 20 0 GEADRO O=C(NCCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc(O)c1 ZINC000826437080 608507966 /nfs/dbraw/zinc/50/79/66/608507966.db2.gz VKAPYVBGGLNZFY-LJQANCHMSA-N 1 0 392.463 2.359 20 0 GEADRO c1cc2c(c(CN3CCC[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)c1)OCO2 ZINC000826516150 608508133 /nfs/dbraw/zinc/50/81/33/608508133.db2.gz YPUNBQAPPWYFCI-UHFFFAOYSA-N 1 0 392.463 2.303 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1-n1cccn1 ZINC000824563458 608517176 /nfs/dbraw/zinc/51/71/76/608517176.db2.gz OURNPCPSNKGSLK-LBPRGKRZSA-N 1 0 394.464 2.403 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000825659069 608526349 /nfs/dbraw/zinc/52/63/49/608526349.db2.gz NNSGNQRFGRPKFP-CQSZACIVSA-N 1 0 385.493 2.447 20 0 GEADRO O=S1(=O)CCC(CC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826496193 608526984 /nfs/dbraw/zinc/52/69/84/608526984.db2.gz NZAJRHOTVQHKGM-KRWDZBQOSA-N 1 0 375.498 2.049 20 0 GEADRO CC(C)[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)C(=O)N1CCCC1 ZINC000824337587 608527210 /nfs/dbraw/zinc/52/72/10/608527210.db2.gz BMXLEBVEGVONTA-HNNXBMFYSA-N 1 0 394.426 2.205 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000826232286 608528213 /nfs/dbraw/zinc/52/82/13/608528213.db2.gz RXASROJSENZKRZ-FZMZJTMJSA-N 1 0 375.379 2.235 20 0 GEADRO COc1ccc(OC)c(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826211276 608531013 /nfs/dbraw/zinc/53/10/13/608531013.db2.gz WFJBTROPBCIDFL-UHFFFAOYSA-N 1 0 394.435 2.101 20 0 GEADRO Cc1ccc(CNC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1F ZINC000826287789 608532607 /nfs/dbraw/zinc/53/26/07/608532607.db2.gz DFWWJAFLXYGTHM-UHFFFAOYSA-N 1 0 380.427 2.209 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cccn2)cc1 ZINC000824570249 608550727 /nfs/dbraw/zinc/55/07/27/608550727.db2.gz MLAUVLDDPDYRSF-LIRRHRJNSA-N 1 0 375.436 2.437 20 0 GEADRO COC(=O)C(C)(C)[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826098754 608555075 /nfs/dbraw/zinc/55/50/75/608555075.db2.gz NQIXULSHANCYGC-ZWKOTPCHSA-N 1 0 395.463 2.430 20 0 GEADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2ccnn2)cc1 ZINC000824599437 608559800 /nfs/dbraw/zinc/55/98/00/608559800.db2.gz ORWSDYWALDMRMU-AWEZNQCLSA-N 1 0 376.424 2.177 20 0 GEADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000826250557 608560752 /nfs/dbraw/zinc/56/07/52/608560752.db2.gz HCVYESAGFRAHCA-UHFFFAOYSA-N 1 0 392.463 2.384 20 0 GEADRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824531362 608577735 /nfs/dbraw/zinc/57/77/35/608577735.db2.gz PFIAFTHASZDJBX-BDJLRTHQSA-N 1 0 386.843 2.170 20 0 GEADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824109459 608578865 /nfs/dbraw/zinc/57/88/65/608578865.db2.gz RBBCSIRRZWKKTB-HOTGVXAUSA-N 1 0 388.472 2.281 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825492601 608581068 /nfs/dbraw/zinc/58/10/68/608581068.db2.gz HBJKTIQHWCNFSK-STQMWFEESA-N 1 0 383.374 2.463 20 0 GEADRO FC(F)(F)COCCC[NH+]1CCN(Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826367573 608637421 /nfs/dbraw/zinc/63/74/21/608637421.db2.gz FCOSCHZTTZRIAQ-UHFFFAOYSA-N 1 0 390.435 2.015 20 0 GEADRO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)C1CCN(CCc2ccccn2)CC1 ZINC000825954111 608654359 /nfs/dbraw/zinc/65/43/59/608654359.db2.gz VZWLMAOCMUBSCQ-UHFFFAOYSA-N 1 0 383.525 2.462 20 0 GEADRO Cc1cc(C)n([C@@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)n1 ZINC000826265074 608690719 /nfs/dbraw/zinc/69/07/19/608690719.db2.gz LBDOAEBXZXTAPH-MRXNPFEDSA-N 1 0 377.456 2.165 20 0 GEADRO CC[C@@H](O)C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000825153104 608732173 /nfs/dbraw/zinc/73/21/73/608732173.db2.gz FKWUOOGUWZGNFH-GOSISDBHSA-N 1 0 377.452 2.288 20 0 GEADRO Clc1cccc(N2CC[NH+](CCNc3cnccc3-c3nn[nH]n3)CC2)c1 ZINC000826353170 608794094 /nfs/dbraw/zinc/79/40/94/608794094.db2.gz DYHGYWUCQQJMPE-UHFFFAOYSA-N 1 0 384.875 2.149 20 0 GEADRO Cc1cc(C)c(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1C ZINC000826262881 608836477 /nfs/dbraw/zinc/83/64/77/608836477.db2.gz BPMFODGWBQYGEV-MRXNPFEDSA-N 1 0 378.484 2.293 20 0 GEADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1C1CC1 ZINC000824998958 608837777 /nfs/dbraw/zinc/83/77/77/608837777.db2.gz AZWFZSPXABWRND-AWEZNQCLSA-N 1 0 376.468 2.245 20 0 GEADRO COc1ccc(C[NH+](C)C)cc1NCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826192338 608860271 /nfs/dbraw/zinc/86/02/71/608860271.db2.gz JRJJCWSIDRTGTF-UHFFFAOYSA-N 1 0 378.440 2.197 20 0 GEADRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000826181394 609144429 /nfs/dbraw/zinc/14/44/29/609144429.db2.gz XSXBKMMIMTWIKD-BBATYDOGSA-N 1 0 387.415 2.407 20 0 GEADRO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584637 609151800 /nfs/dbraw/zinc/15/18/00/609151800.db2.gz CXXWEKVRLXMZGN-ZDUSSCGKSA-N 1 0 396.426 2.472 20 0 GEADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548344 609152824 /nfs/dbraw/zinc/15/28/24/609152824.db2.gz WISKAESUEFDNIJ-MJXNMMHHSA-N 1 0 388.491 2.424 20 0 GEADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824465791 609153757 /nfs/dbraw/zinc/15/37/57/609153757.db2.gz SQGIWSMBRQKJDX-STQMWFEESA-N 1 0 393.426 2.455 20 0 GEADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824465789 609153876 /nfs/dbraw/zinc/15/38/76/609153876.db2.gz SQGIWSMBRQKJDX-OLZOCXBDSA-N 1 0 393.426 2.455 20 0 GEADRO CCc1nc(CN2CCC[C@@H]([NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000825745188 609156027 /nfs/dbraw/zinc/15/60/27/609156027.db2.gz JHVVZCFLQQHZID-XJKSGUPXSA-N 1 0 382.472 2.127 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000826022307 609157796 /nfs/dbraw/zinc/15/77/96/609157796.db2.gz JGSYANFNQHALAG-UHFFFAOYSA-N 1 0 395.414 2.322 20 0 GEADRO FC(F)(F)CCN1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826367923 609168258 /nfs/dbraw/zinc/16/82/58/609168258.db2.gz UQJMSQOHWIBNDF-UHFFFAOYSA-N 1 0 384.406 2.252 20 0 GEADRO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824402494 609168539 /nfs/dbraw/zinc/16/85/39/609168539.db2.gz WYKKQYRVLKXBQM-KBXCAEBGSA-N 1 0 384.484 2.157 20 0 GEADRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000824545985 609168727 /nfs/dbraw/zinc/16/87/27/609168727.db2.gz FWFHXIXTQBEPPL-KSSFIOAISA-N 1 0 394.483 2.490 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cncc(F)c1 ZINC000824548056 609169009 /nfs/dbraw/zinc/16/90/09/609169009.db2.gz USJZMOHZGDMCKH-SJKOYZFVSA-N 1 0 381.415 2.247 20 0 GEADRO COc1ccc([C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[NH+]2CCCCC2)cc1 ZINC000826189117 609189535 /nfs/dbraw/zinc/18/95/35/609189535.db2.gz NVVCBDGUFJRPBZ-SFHVURJKSA-N 1 0 395.467 2.160 20 0 GEADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC000824937918 609195841 /nfs/dbraw/zinc/19/58/41/609195841.db2.gz RXLARNAKWMWCIC-AWEZNQCLSA-N 1 0 379.468 2.499 20 0 GEADRO COc1ccccc1[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH+]1CCCCC1 ZINC000826219117 609199446 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SJRTUCDUCITXCD-KBXCAEBGSA-N 1 0 396.470 2.076 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824573367 609329118 /nfs/dbraw/zinc/32/91/18/609329118.db2.gz ZAPMAQKAJASGPJ-SMDDNHRTSA-N 1 0 375.379 2.235 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554898 609334650 /nfs/dbraw/zinc/33/46/50/609334650.db2.gz SNUZLKRUBCIAPN-TZMCWYRMSA-N 1 0 395.442 2.034 20 0 GEADRO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCCC1 ZINC000825122155 609337256 /nfs/dbraw/zinc/33/72/56/609337256.db2.gz XJPQTQBTQRHKIO-SFHVURJKSA-N 1 0 380.500 2.231 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H]2CSCCS2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361530 609341878 /nfs/dbraw/zinc/34/18/78/609341878.db2.gz BBKJWLAUQMEKQA-OAHLLOKOSA-N 1 0 387.538 2.205 20 0 GEADRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826390896 609360334 /nfs/dbraw/zinc/36/03/34/609360334.db2.gz QMOAVXMELDPHIS-NSHDSACASA-N 1 0 393.289 2.107 20 0 GEADRO COCc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826164583 609412934 /nfs/dbraw/zinc/41/29/34/609412934.db2.gz HUHVUOJKFHZTJV-LJQANCHMSA-N 1 0 392.463 2.298 20 0 GEADRO O=C(CC[NH2+][C@@H](CO)c1ccc(Cl)cc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407131 609429168 /nfs/dbraw/zinc/42/91/68/609429168.db2.gz CAVJMYHNBWTQOU-INIZCTEOSA-N 1 0 386.843 2.172 20 0 GEADRO OC[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000826507673 609429649 /nfs/dbraw/zinc/42/96/49/609429649.db2.gz UCRAOKMERNQUKD-JKSUJKDBSA-N 1 0 393.369 2.242 20 0 GEADRO C[NH+](C)CCCNC(=O)CSc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000825860268 609450768 /nfs/dbraw/zinc/45/07/68/609450768.db2.gz NKBULHSEJSHNSC-UHFFFAOYSA-N 1 0 388.419 2.046 20 0 GEADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)nc2)CC1 ZINC000826033593 609489468 /nfs/dbraw/zinc/48/94/68/609489468.db2.gz IBWBCNWHCYMGMC-UHFFFAOYSA-N 1 0 394.439 2.223 20 0 GEADRO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826429870 609496079 /nfs/dbraw/zinc/49/60/79/609496079.db2.gz OUJJRMCEGMJQDP-RYQLBKOJSA-N 1 0 391.479 2.225 20 0 GEADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824531359 609512047 /nfs/dbraw/zinc/51/20/47/609512047.db2.gz PDOJXZKAJAWTNL-SRVKXCTJSA-N 1 0 390.513 2.149 20 0 GEADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCO1 ZINC000824215538 609600910 /nfs/dbraw/zinc/60/09/10/609600910.db2.gz LCZQYEFWVLMIRM-SZMVWBNQSA-N 1 0 384.484 2.155 20 0 GEADRO C[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@H]1CC=CCC1 ZINC000825892117 609610448 /nfs/dbraw/zinc/61/04/48/609610448.db2.gz GQVHYMIUTUALMV-HNNXBMFYSA-N 1 0 392.467 2.279 20 0 GEADRO CCCCN(CCCC)S(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000446934880 649991251 /nfs/dbraw/zinc/99/12/51/649991251.db2.gz WVIFZARPWIBMQI-FGTMMUONSA-N 1 0 375.579 2.317 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(F)c(Br)cc3F)C[C@H]21 ZINC000447243967 650002933 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CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000447521258 650007202 /nfs/dbraw/zinc/00/72/02/650007202.db2.gz VUCSXHWCSFAKIM-DVOMOZLQSA-N 1 0 396.329 2.460 20 0 GEADRO Cc1nn(C)c(CNCc2ccnc(OCC[NH+](C)C)c2)c1Br ZINC000447900061 650010587 /nfs/dbraw/zinc/01/05/87/650010587.db2.gz ZKLJLBWPXBSUBD-UHFFFAOYSA-N 1 0 382.306 2.116 20 0 GEADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](CO)[C@H]3CCCO3)C2=O)ccc1Br ZINC000447900605 650010658 /nfs/dbraw/zinc/01/06/58/650010658.db2.gz CZJZRVIHPVUKTO-YESZJQIVSA-N 1 0 397.313 2.382 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000447403346 650006382 /nfs/dbraw/zinc/00/63/82/650006382.db2.gz DXYKOQFPULSVFQ-HOTGVXAUSA-N 1 0 383.330 2.279 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(Br)cccc3cn2)C1 ZINC000448932939 650025990 /nfs/dbraw/zinc/02/59/90/650025990.db2.gz MYIPWRXTUFZGBP-CYBMUJFWSA-N 1 0 378.270 2.448 20 0 GEADRO Cc1ccc(CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000448978004 650027789 /nfs/dbraw/zinc/02/77/89/650027789.db2.gz VNETWIOZTHMSEC-HNNXBMFYSA-N 1 0 382.346 2.300 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](CCO)CC1CC1 ZINC000449021288 650030027 /nfs/dbraw/zinc/03/00/27/650030027.db2.gz SNZOFKOAOMFZCV-LBPRGKRZSA-N 1 0 385.302 2.167 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1 ZINC000449082729 650031221 /nfs/dbraw/zinc/03/12/21/650031221.db2.gz PJQAPLANONLNRX-UHFFFAOYSA-N 1 0 381.519 2.185 20 0 GEADRO COc1cc(C[NH2+]CCS(=O)(=O)N2CCSCC2)cc2ccccc21 ZINC000449127218 650032261 /nfs/dbraw/zinc/03/22/61/650032261.db2.gz OMMAMSSKGJEUPA-UHFFFAOYSA-N 1 0 380.535 2.317 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000449289874 650037596 /nfs/dbraw/zinc/03/75/96/650037596.db2.gz VHUINRPHXIXPSW-FRRDWIJNSA-N 1 0 385.302 2.165 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000449286497 650037637 /nfs/dbraw/zinc/03/76/37/650037637.db2.gz HMEHFJWNLTXLFQ-SGTLLEGYSA-N 1 0 397.313 2.309 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+]Cc1ccc(I)c(C)c1 ZINC000449298589 650037711 /nfs/dbraw/zinc/03/77/11/650037711.db2.gz IFPYTXNNQBQFQA-LLVKDONJSA-N 1 0 377.222 2.267 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](CO)C1CC1 ZINC000449336391 650038894 /nfs/dbraw/zinc/03/88/94/650038894.db2.gz NCCVXFFRFDPGRD-RISCZKNCSA-N 1 0 385.302 2.071 20 0 GEADRO C[C@H]1CSC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000449314286 650038065 /nfs/dbraw/zinc/03/80/65/650038065.db2.gz BWVYWNMBRKYOHB-WCQYABFASA-N 1 0 393.372 2.459 20 0 GEADRO C[C@H]1CSC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000449314279 650038163 /nfs/dbraw/zinc/03/81/63/650038163.db2.gz BWVYWNMBRKYOHB-AAEUAGOBSA-N 1 0 393.372 2.459 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449321569 650038415 /nfs/dbraw/zinc/03/84/15/650038415.db2.gz MSQFKMBQQMHVLJ-CQSZACIVSA-N 1 0 379.295 2.492 20 0 GEADRO COC[C@](C)(O)CC[NH2+]Cc1c(Br)cncc1Br ZINC000449388421 650039328 /nfs/dbraw/zinc/03/93/28/650039328.db2.gz ZSJFOIAYVCLYGY-GFCCVEGCSA-N 1 0 382.096 2.484 20 0 GEADRO COC[C@@](C)(O)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000449385690 650039478 /nfs/dbraw/zinc/03/94/78/650039478.db2.gz RBGCHNYICMEXQF-KRWDZBQOSA-N 1 0 387.318 2.163 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000449407527 650039836 /nfs/dbraw/zinc/03/98/36/650039836.db2.gz HTHKQRQWKYULSF-GFCCVEGCSA-N 1 0 391.333 2.363 20 0 GEADRO CC(C)c1ncc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000449426443 650040535 /nfs/dbraw/zinc/04/05/35/650040535.db2.gz URRLJOTZPJFNOT-UHFFFAOYSA-N 1 0 382.555 2.482 20 0 GEADRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000449463162 650041324 /nfs/dbraw/zinc/04/13/24/650041324.db2.gz WGZOGEYBRIFDPH-QAPCUYQASA-N 1 0 399.329 2.427 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3nn(C)cc3Cl)CC2)cc1 ZINC000449478978 650041593 /nfs/dbraw/zinc/04/15/93/650041593.db2.gz LCPNKVLTKLQXGE-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cnc(C)nc1 ZINC000449685930 650045556 /nfs/dbraw/zinc/04/55/56/650045556.db2.gz WREZVRRSOBMZOW-CYBMUJFWSA-N 1 0 380.286 2.497 20 0 GEADRO CSc1ccc(C[NH+]2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)s1 ZINC000449511049 650042165 /nfs/dbraw/zinc/04/21/65/650042165.db2.gz YFJFFBLNKZBQAJ-UHFFFAOYSA-N 1 0 381.567 2.373 20 0 GEADRO C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)C[C@H](C)[N@H+]1CCO ZINC000449535572 650042370 /nfs/dbraw/zinc/04/23/70/650042370.db2.gz DJQVGKUUFINKIU-BETUJISGSA-N 1 0 385.302 2.107 20 0 GEADRO COC(=O)c1ccc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(Br)c1 ZINC000449540767 650042510 /nfs/dbraw/zinc/04/25/10/650042510.db2.gz YEPDAXOLXMMPKL-BETUJISGSA-N 1 0 385.302 2.123 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C ZINC000449686055 650045632 /nfs/dbraw/zinc/04/56/32/650045632.db2.gz VINJSDLCEIVTGF-JSGCOSHPSA-N 1 0 392.359 2.321 20 0 GEADRO COc1nccnc1C[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000449596334 650043238 /nfs/dbraw/zinc/04/32/38/650043238.db2.gz AXZWFYNSEVVZLX-AWEZNQCLSA-N 1 0 380.286 2.497 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000449596641 650043253 /nfs/dbraw/zinc/04/32/53/650043253.db2.gz BVKGEOBABXLFAA-HIFRSBDPSA-N 1 0 392.359 2.321 20 0 GEADRO COc1ccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1Br ZINC000449694878 650046118 /nfs/dbraw/zinc/04/61/18/650046118.db2.gz HMYZQXJLBFMSDQ-OAHLLOKOSA-N 1 0 396.329 2.244 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449698170 650046128 /nfs/dbraw/zinc/04/61/28/650046128.db2.gz NDZBFQAQXCDRRI-KOLCDFICSA-N 1 0 388.331 2.133 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000449696078 650046155 /nfs/dbraw/zinc/04/61/55/650046155.db2.gz HBVQIWFGZBRWFG-CQSZACIVSA-N 1 0 397.317 2.465 20 0 GEADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000449824436 650052141 /nfs/dbraw/zinc/05/21/41/650052141.db2.gz DTCXRTKXKUSRDD-BETUJISGSA-N 1 0 399.333 2.144 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000449699391 650046476 /nfs/dbraw/zinc/04/64/76/650046476.db2.gz QLRCNTRPEUAHKW-SWLSCSKDSA-N 1 0 394.313 2.306 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449708931 650046954 /nfs/dbraw/zinc/04/69/54/650046954.db2.gz HTDRIZZMLIAYAJ-IOASZLSFSA-N 1 0 396.329 2.447 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000449710971 650046976 /nfs/dbraw/zinc/04/69/76/650046976.db2.gz CGBFCLPCDGDFPD-FRRDWIJNSA-N 1 0 380.286 2.046 20 0 GEADRO CSc1ccc(N2C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2=O)cc1 ZINC000449714617 650047123 /nfs/dbraw/zinc/04/71/23/650047123.db2.gz CLZLIWDEJDEQAV-ZWNOBZJWSA-N 1 0 375.416 2.157 20 0 GEADRO Cc1sc2nc(CCC(=O)N[C@H](CC[NH3+])C(F)(F)F)[nH]c(=O)c2c1C ZINC000449726998 650047961 /nfs/dbraw/zinc/04/79/61/650047961.db2.gz YUWLJFYUKGUKKT-SECBINFHSA-N 1 0 376.404 2.342 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N[C@@H]1CC[NH2+]C1(C)C)c1ccc(Br)cc1 ZINC000449750736 650048955 /nfs/dbraw/zinc/04/89/55/650048955.db2.gz WBOYCJPENZZXCO-LSDHHAIUSA-N 1 0 382.302 2.273 20 0 GEADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1scnc1C1CC1 ZINC000449754595 650049291 /nfs/dbraw/zinc/04/92/91/650049291.db2.gz MAYBQRVNQOTPLR-UHFFFAOYSA-N 1 0 385.486 2.318 20 0 GEADRO C[C@@H]1C[N@H+](CCO)CCN1Cc1ncc(Br)cc1Br ZINC000449786307 650049903 /nfs/dbraw/zinc/04/99/03/650049903.db2.gz MTBOGDJIVDGBPW-SNVBAGLBSA-N 1 0 393.123 2.105 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000450055250 650059089 /nfs/dbraw/zinc/05/90/89/650059089.db2.gz CBEXZJTWQSQGIS-HNNXBMFYSA-N 1 0 381.314 2.481 20 0 GEADRO O=C(NCC1CC[NH+](CCO)CC1)c1cc2c(Br)cccc2cn1 ZINC000450167911 650061535 /nfs/dbraw/zinc/06/15/35/650061535.db2.gz HOXDOPKHJMSBAJ-UHFFFAOYSA-N 1 0 392.297 2.431 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNc2ncnc3cc(Br)ccc32)CC1 ZINC000450264815 650063118 /nfs/dbraw/zinc/06/31/18/650063118.db2.gz VJDKPVATKZFOMG-AWEZNQCLSA-N 1 0 392.345 3.078 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNc2ncnc3cc(Br)ccc32)CC1 ZINC000450264816 650063149 /nfs/dbraw/zinc/06/31/49/650063149.db2.gz VJDKPVATKZFOMG-CQSZACIVSA-N 1 0 392.345 3.078 20 0 GEADRO CCOCC[N@@H+]1CCN(c2ccc(I)cn2)C[C@@H]1C ZINC000450312184 650063822 /nfs/dbraw/zinc/06/38/22/650063822.db2.gz KZDOJERWOAAQJF-LBPRGKRZSA-N 1 0 375.254 2.233 20 0 GEADRO C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000450402006 650064593 /nfs/dbraw/zinc/06/45/93/650064593.db2.gz BEDRIUPDQNGSJX-DLBZAZTESA-N 1 0 381.314 2.468 20 0 GEADRO COC(=O)CCN1CCN(C(=O)Cc2cc(Br)ccc2C)[C@H](C)C1 ZINC000450407703 650064818 /nfs/dbraw/zinc/06/48/18/650064818.db2.gz UMFGQYZOIPNCAU-CQSZACIVSA-N 1 0 397.313 2.396 20 0 GEADRO Cc1nc(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C(C)C)CC2)cs1 ZINC000450560490 650067325 /nfs/dbraw/zinc/06/73/25/650067325.db2.gz PGZXVWQVXWORTK-MRXNPFEDSA-N 1 0 386.587 2.021 20 0 GEADRO CC(C)(C)Oc1nc(NC[C@H]2CCC[N@@H+]2CCCO)ncc1Br ZINC000450591961 650067692 /nfs/dbraw/zinc/06/76/92/650067692.db2.gz GUBAEURKJSWWSM-GFCCVEGCSA-N 1 0 387.322 2.675 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000450734895 650070061 /nfs/dbraw/zinc/07/00/61/650070061.db2.gz XLTZLANJGPHIGY-WDEREUQCSA-N 1 0 376.238 2.145 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451096881 650085774 /nfs/dbraw/zinc/08/57/74/650085774.db2.gz CDQNPDNVWPZTCE-GFCCVEGCSA-N 1 0 379.295 2.492 20 0 GEADRO Cc1csc([C@@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(F)(F)F)n1 ZINC000451126659 650089096 /nfs/dbraw/zinc/08/90/96/650089096.db2.gz DTUROQCFGYOHGJ-CQSZACIVSA-N 1 0 376.448 2.388 20 0 GEADRO CC[N@@H+]1CCCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451174877 650093243 /nfs/dbraw/zinc/09/32/43/650093243.db2.gz YZRDOXHSTYSJOP-UHFFFAOYSA-N 1 0 379.295 2.446 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000451277991 650100433 /nfs/dbraw/zinc/10/04/33/650100433.db2.gz SYZXCPIBQGHXDO-CQSZACIVSA-N 1 0 398.472 2.430 20 0 GEADRO CCOC[C@@H](C)CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000451186536 650094633 /nfs/dbraw/zinc/09/46/33/650094633.db2.gz BVHXDHQBKRFVBP-MRXNPFEDSA-N 1 0 378.604 2.330 20 0 GEADRO O=C1NCCN1CC[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451196097 650095500 /nfs/dbraw/zinc/09/55/00/650095500.db2.gz VLIJUTGGQBMBRG-CQSZACIVSA-N 1 0 399.276 2.181 20 0 GEADRO O[C@H](CN1CCOCC1)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451296604 650101817 /nfs/dbraw/zinc/10/18/17/650101817.db2.gz PYNHMBVUSFZBFB-ZDUSSCGKSA-N 1 0 379.448 2.034 20 0 GEADRO COC[C@@]1(C(=O)OC)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000451327101 650103727 /nfs/dbraw/zinc/10/37/27/650103727.db2.gz FZRNLTDXOLSCMN-SUMWQHHRSA-N 1 0 392.279 2.245 20 0 GEADRO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C2(CCCC2)CN1C[C@@H](O)C(F)(F)F ZINC000451349917 650106079 /nfs/dbraw/zinc/10/60/79/650106079.db2.gz ZVLMUSKSYGHFTC-IJLUTSLNSA-N 1 0 378.357 2.152 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000451418279 650112347 /nfs/dbraw/zinc/11/23/47/650112347.db2.gz MBKAPXGFERGCPM-UHFFFAOYSA-N 1 0 391.940 2.315 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451425955 650112857 /nfs/dbraw/zinc/11/28/57/650112857.db2.gz HQIKWKYBTLALPU-RISCZKNCSA-N 1 0 384.192 2.030 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451730267 650136653 /nfs/dbraw/zinc/13/66/53/650136653.db2.gz NZLJFZJKPUGUDZ-HNNXBMFYSA-N 1 0 382.448 2.390 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000451881248 650149836 /nfs/dbraw/zinc/14/98/36/650149836.db2.gz YAODRVAOBFEXRO-MFKMUULPSA-N 1 0 377.279 2.221 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)[NH+](C)C ZINC000451924782 650154213 /nfs/dbraw/zinc/15/42/13/650154213.db2.gz FENJKRLFHDTKLS-NSHDSACASA-N 1 0 386.411 2.332 20 0 GEADRO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(-c2ccc(Cl)s2)n1 ZINC000452363398 650181853 /nfs/dbraw/zinc/18/18/53/650181853.db2.gz LXXWFXMBWDYFGO-GFCCVEGCSA-N 1 0 382.917 2.379 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c(F)cc(Br)cc1F ZINC000452361292 650181865 /nfs/dbraw/zinc/18/18/65/650181865.db2.gz JWXXPGSEMCEBAO-NSHDSACASA-N 1 0 377.229 2.304 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452361700 650181959 /nfs/dbraw/zinc/18/19/59/650181959.db2.gz KBNVJBLJSLGSCP-ZFWWWQNUSA-N 1 0 385.302 2.179 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452383458 650183319 /nfs/dbraw/zinc/18/33/19/650183319.db2.gz AQQSDBBFXYKAOD-HIFRSBDPSA-N 1 0 385.302 2.179 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCOC1)c1ccc(F)c(I)c1 ZINC000453135075 650206191 /nfs/dbraw/zinc/20/61/91/650206191.db2.gz CRYWPRSLUZXLLQ-PXWWUCIGSA-N 1 0 379.213 2.478 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)[C@H]1CCOC1)c1ccc(F)c(I)c1 ZINC000453135067 650206134 /nfs/dbraw/zinc/20/61/34/650206134.db2.gz CRYWPRSLUZXLLQ-CHIMOYNISA-N 1 0 379.213 2.478 20 0 GEADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000453274641 650207593 /nfs/dbraw/zinc/20/75/93/650207593.db2.gz KODNBYHGXDPXTD-UGSOOPFHSA-N 1 0 380.535 2.243 20 0 GEADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1Br ZINC000453343885 650208175 /nfs/dbraw/zinc/20/81/75/650208175.db2.gz CXTKCVYGDDMSCW-CABCVRRESA-N 1 0 390.343 2.075 20 0 GEADRO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1OC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453313486 650208233 /nfs/dbraw/zinc/20/82/33/650208233.db2.gz HQZHBLGUGBWZRW-VNQPRFMTSA-N 1 0 390.933 2.340 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2ccc(=O)[nH]n2)cc1Br ZINC000453341624 650208287 /nfs/dbraw/zinc/20/82/87/650208287.db2.gz CDWOXUAAJIVJOC-AAEUAGOBSA-N 1 0 396.285 2.455 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)C(=O)NCCc1ccccc1 ZINC000453419484 650209080 /nfs/dbraw/zinc/20/90/80/650209080.db2.gz CYNZBXHYPZDCEI-UONOGXRCSA-N 1 0 379.302 2.371 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000453634538 650211374 /nfs/dbraw/zinc/21/13/74/650211374.db2.gz KAYAZABPYRWDDM-NSHDSACASA-N 1 0 391.269 2.098 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000453642826 650211633 /nfs/dbraw/zinc/21/16/33/650211633.db2.gz ZEIWGFKGBNEOHJ-HNNXBMFYSA-N 1 0 397.317 2.328 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br)C1CC1 ZINC000453643361 650211805 /nfs/dbraw/zinc/21/18/05/650211805.db2.gz LADYNVQEGTUGHC-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000454098438 650252871 /nfs/dbraw/zinc/25/28/71/650252871.db2.gz NAGKUVQOLPECAP-GFCCVEGCSA-N 1 0 386.265 2.468 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000454244105 650260344 /nfs/dbraw/zinc/26/03/44/650260344.db2.gz VRPBQHVABINVTJ-ZDUSSCGKSA-N 1 0 386.319 2.346 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCn1cc(Br)ccc1=O ZINC000454499266 650268173 /nfs/dbraw/zinc/26/81/73/650268173.db2.gz PLTAFCLESACZGC-HNNXBMFYSA-N 1 0 399.333 2.175 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCOc2ccc(Cl)c(Cl)c2)C1 ZINC000454532391 650268498 /nfs/dbraw/zinc/26/84/98/650268498.db2.gz CACQYMXMEMOACY-GFCCVEGCSA-N 1 0 376.284 2.392 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@@H]1CS(C)(=O)=O)CC(C)C ZINC000454622256 650273660 /nfs/dbraw/zinc/27/36/60/650273660.db2.gz QWSZETAQUHLAQE-IAGOWNOFSA-N 1 0 375.579 2.352 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)NCc2nn(C)cc2Br)([NH+](C)C)C1 ZINC000454631165 650273878 /nfs/dbraw/zinc/27/38/78/650273878.db2.gz MSNYHSMQRJPGDJ-BLLLJJGKSA-N 1 0 386.338 2.492 20 0 GEADRO C[C@H](CNC(=O)NCCn1cc(Br)ccc1=O)C[NH+]1CCCCC1 ZINC000454622137 650273951 /nfs/dbraw/zinc/27/39/51/650273951.db2.gz OZVWYVCHZTUOMH-CQSZACIVSA-N 1 0 399.333 2.032 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454642843 650274272 /nfs/dbraw/zinc/27/42/72/650274272.db2.gz GILNTOKDRLUNFL-BWPKMQGJSA-N 1 0 395.345 2.397 20 0 GEADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NCC[N@@H+]1CCCOCC1 ZINC000455000341 650286127 /nfs/dbraw/zinc/28/61/27/650286127.db2.gz KPZIFKDHPBFGSI-UHFFFAOYSA-N 1 0 376.284 2.394 20 0 GEADRO O=C(NCCCCC[NH+]1CCCC1)NCCn1cc(Br)ccc1=O ZINC000455037141 650287856 /nfs/dbraw/zinc/28/78/56/650287856.db2.gz RFJWZVIDQMQWEM-UHFFFAOYSA-N 1 0 399.333 2.176 20 0 GEADRO O=C(c1ccc(I)cn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000455548730 650307485 /nfs/dbraw/zinc/30/74/85/650307485.db2.gz FKWMRNNFCWTKNJ-CYBMUJFWSA-N 1 0 385.249 2.387 20 0 GEADRO Cc1csc([C@@H](NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)C(F)(F)F)n1 ZINC000455717400 650314111 /nfs/dbraw/zinc/31/41/11/650314111.db2.gz ZYIPDQAIAFRIGX-NWDGAFQWSA-N 1 0 380.436 2.153 20 0 GEADRO C[N@H+](CCNC(=O)Nc1nnc2ccc(Br)cn21)C1CCCCC1 ZINC000455763853 650317122 /nfs/dbraw/zinc/31/71/22/650317122.db2.gz RYCRRLBYXZOSKC-UHFFFAOYSA-N 1 0 395.305 2.878 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455861023 650323136 /nfs/dbraw/zinc/32/31/36/650323136.db2.gz MLRYEGIQOALXQX-NSHDSACASA-N 1 0 383.294 2.734 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(I)cn2)C1 ZINC000455789729 650318337 /nfs/dbraw/zinc/31/83/37/650318337.db2.gz YEVHCIDWKQNHJR-LBPRGKRZSA-N 1 0 387.265 2.490 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455866506 650324104 /nfs/dbraw/zinc/32/41/04/650324104.db2.gz VLMXQTSRDNWMAU-LLVKDONJSA-N 1 0 383.294 2.734 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455845776 650321150 /nfs/dbraw/zinc/32/11/50/650321150.db2.gz NWJAOVQDQIACGZ-RYUDHWBXSA-N 1 0 395.305 2.734 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455867802 650324259 /nfs/dbraw/zinc/32/42/59/650324259.db2.gz XHCASJMZWZJQRS-UHFFFAOYSA-N 1 0 397.321 3.078 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000456105814 650330749 /nfs/dbraw/zinc/33/07/49/650330749.db2.gz NGDHLNGVQYMBTI-PEYYIBSZSA-N 1 0 385.302 2.147 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(I)cn1 ZINC000455958756 650326661 /nfs/dbraw/zinc/32/66/61/650326661.db2.gz WAFIAFAYKUWSGC-UHFFFAOYSA-N 1 0 399.232 2.483 20 0 GEADRO CC[N@H+](CC(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br)C1CC1 ZINC000456108918 650330870 /nfs/dbraw/zinc/33/08/70/650330870.db2.gz VMYODCHNMLZNPW-MRXNPFEDSA-N 1 0 385.302 2.434 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(I)cn1 ZINC000456038933 650328187 /nfs/dbraw/zinc/32/81/87/650328187.db2.gz ZJIAZFSWLKWWIP-UHFFFAOYSA-N 1 0 375.254 2.490 20 0 GEADRO CC(=O)N[C@H](C)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456383064 650338567 /nfs/dbraw/zinc/33/85/67/650338567.db2.gz YBKOHRFRGRPBHU-NWDGAFQWSA-N 1 0 397.317 2.053 20 0 GEADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCC(N)=O ZINC000456384240 650338789 /nfs/dbraw/zinc/33/87/89/650338789.db2.gz ZZZACPNWHJKXJX-GFCCVEGCSA-N 1 0 397.317 2.184 20 0 GEADRO CC[C@@H](C(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC)[NH+](C)C ZINC000456718417 650358359 /nfs/dbraw/zinc/35/83/59/650358359.db2.gz LCPRWNRUXIWVGZ-DOMZBBRYSA-N 1 0 387.318 2.065 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000500217211 650373109 /nfs/dbraw/zinc/37/31/09/650373109.db2.gz ROTVLGMTLFNCHP-NSHDSACASA-N 1 0 382.555 2.060 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000457215548 650374173 /nfs/dbraw/zinc/37/41/73/650374173.db2.gz ZHHNNODQQCFJQA-UHFFFAOYSA-N 1 0 395.294 2.062 20 0 GEADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000500539501 650380297 /nfs/dbraw/zinc/38/02/97/650380297.db2.gz WXUUIQRGWWVAIL-QGZVFWFLSA-N 1 0 385.961 2.439 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000457540458 650380577 /nfs/dbraw/zinc/38/05/77/650380577.db2.gz ZUJZSQNDYDBBRZ-HNNXBMFYSA-N 1 0 380.290 2.285 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(Br)co2)cc1 ZINC000457537442 650380584 /nfs/dbraw/zinc/38/05/84/650380584.db2.gz FKVKSPGKLPMVKW-UHFFFAOYSA-N 1 0 394.269 2.264 20 0 GEADRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc(Br)c2)C1 ZINC000500467688 650378320 /nfs/dbraw/zinc/37/83/20/650378320.db2.gz UOSATSSURCIWRE-CABCVRRESA-N 1 0 385.302 2.179 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc(Cl)c1OCC(N)=O ZINC000500476992 650379019 /nfs/dbraw/zinc/37/90/19/650379019.db2.gz PQYKOGNQUVLKHY-VXGBXAGGSA-N 1 0 378.803 2.463 20 0 GEADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000500572272 650380680 /nfs/dbraw/zinc/38/06/80/650380680.db2.gz QMTYNQDCHXGTDB-IAQYHMDHSA-N 1 0 391.331 2.265 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000500567411 650380714 /nfs/dbraw/zinc/38/07/14/650380714.db2.gz RFGOABMHTAJJGF-RISCZKNCSA-N 1 0 379.295 2.396 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)ccc1F ZINC000500596632 650381285 /nfs/dbraw/zinc/38/12/85/650381285.db2.gz XNSLPAJBANTOHV-CHWSQXEVSA-N 1 0 377.279 2.493 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c(F)cc1Br ZINC000500636850 650381755 /nfs/dbraw/zinc/38/17/55/650381755.db2.gz RRFSICKERYVRAS-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500802483 650382982 /nfs/dbraw/zinc/38/29/82/650382982.db2.gz LRSDEKIHYYHQBE-UHFFFAOYSA-N 1 0 396.329 2.283 20 0 GEADRO CCS(=O)(=O)c1cccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000501002861 650385960 /nfs/dbraw/zinc/38/59/60/650385960.db2.gz UOESXCKVMUABNR-KRWDZBQOSA-N 1 0 380.897 2.320 20 0 GEADRO O=C(NCc1ccc(F)cc1Br)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457942977 650389905 /nfs/dbraw/zinc/38/99/05/650389905.db2.gz XKUCLAYVJDKTHG-AWEZNQCLSA-N 1 0 388.281 2.234 20 0 GEADRO O=C(NCc1cc(F)cc(Br)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000457963783 650390922 /nfs/dbraw/zinc/39/09/22/650390922.db2.gz RYHFCZIXSVIYEV-OAHLLOKOSA-N 1 0 388.281 2.234 20 0 GEADRO CCN1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000501743235 650396913 /nfs/dbraw/zinc/39/69/13/650396913.db2.gz CKORYSDUIWUGCQ-KRWDZBQOSA-N 1 0 398.345 2.060 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NC(C)(C)C[NH+](C)C ZINC000458149545 650397591 /nfs/dbraw/zinc/39/75/91/650397591.db2.gz XUQXRPVKHIIVHN-UHFFFAOYSA-N 1 0 385.306 2.335 20 0 GEADRO Cc1cc(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000458347210 650400526 /nfs/dbraw/zinc/40/05/26/650400526.db2.gz SLJGSCFBLPZPFW-CQSZACIVSA-N 1 0 383.334 2.193 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458366760 650400714 /nfs/dbraw/zinc/40/07/14/650400714.db2.gz CSASZAKJWKGYJT-MRXNPFEDSA-N 1 0 384.318 2.404 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1nc(C(F)(F)F)cs1 ZINC000458722278 650409099 /nfs/dbraw/zinc/40/90/99/650409099.db2.gz OEUZHVGMLJSBQC-QWRGUYRKSA-N 1 0 380.436 2.369 20 0 GEADRO O=C(NCC[NH+]1CCC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000502496723 650407229 /nfs/dbraw/zinc/40/72/29/650407229.db2.gz QVKDRMMWYYWICS-AWEZNQCLSA-N 1 0 381.318 2.280 20 0 GEADRO Cc1cccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1Br ZINC000502589905 650408759 /nfs/dbraw/zinc/40/87/59/650408759.db2.gz WCVJCRBGCFYUHF-KGLIPLIRSA-N 1 0 384.318 2.354 20 0 GEADRO O=S1(=O)CCC(O)(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000502695220 650410273 /nfs/dbraw/zinc/41/02/73/650410273.db2.gz WGXYEBNSYWHHGD-UHFFFAOYSA-N 1 0 396.336 2.118 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)NC/C=C\c2ccc(Br)cc2)CCO1 ZINC000458973733 650416506 /nfs/dbraw/zinc/41/65/06/650416506.db2.gz MTXPELZGHHRZHH-MJSXRHKHSA-N 1 0 382.302 2.434 20 0 GEADRO C[C@@H](CNC(=O)NCc1noc(-c2cccc(Br)c2)n1)[NH+](C)C ZINC000459057675 650418442 /nfs/dbraw/zinc/41/84/42/650418442.db2.gz LJPYXEIAORNRKA-JTQLQIEISA-N 1 0 382.262 2.248 20 0 GEADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000503511956 650419153 /nfs/dbraw/zinc/41/91/53/650419153.db2.gz RPQCMTJXNIGOOM-VHSXEESVSA-N 1 0 375.803 2.466 20 0 GEADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1SCC)[C@@H]1CCS(=O)(=O)C1 ZINC000503524167 650419251 /nfs/dbraw/zinc/41/92/51/650419251.db2.gz VTCRYKPDJLAFBI-JJXSEGSLSA-N 1 0 376.588 2.064 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2cccc(Br)c2)[C@@H](C)C1 ZINC000459155052 650419808 /nfs/dbraw/zinc/41/98/08/650419808.db2.gz UQBOXJRUPVIGJL-UONOGXRCSA-N 1 0 384.318 2.088 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000503685404 650421528 /nfs/dbraw/zinc/42/15/28/650421528.db2.gz NOPRFQWDATVCHU-NSHDSACASA-N 1 0 391.256 2.233 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000459224628 650421573 /nfs/dbraw/zinc/42/15/73/650421573.db2.gz WXVXFHYEUGMQQP-NSHDSACASA-N 1 0 380.290 2.419 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)[C@@H]1SC ZINC000459450043 650424825 /nfs/dbraw/zinc/42/48/25/650424825.db2.gz OAPHPZFJGGQOAR-GUTXKFCHSA-N 1 0 378.585 2.142 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000504006218 650425591 /nfs/dbraw/zinc/42/55/91/650425591.db2.gz MOMXEOOFSWQYGK-UHFFFAOYSA-N 1 0 379.245 2.354 20 0 GEADRO Oc1cccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1Br ZINC000459481573 650425870 /nfs/dbraw/zinc/42/58/70/650425870.db2.gz WWARRENMFBUUIW-MRXNPFEDSA-N 1 0 387.343 2.452 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@@H]1SC ZINC000459536127 650427625 /nfs/dbraw/zinc/42/76/25/650427625.db2.gz BGCDFNFFJHIASZ-AYDFFVQHSA-N 1 0 390.596 2.257 20 0 GEADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(Cl)c1O ZINC000459543494 650428212 /nfs/dbraw/zinc/42/82/12/650428212.db2.gz MIIJEOFUBHPFKX-TZMCWYRMSA-N 1 0 376.906 2.252 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000504205361 650428366 /nfs/dbraw/zinc/42/83/66/650428366.db2.gz RPIFWMQTVNNPFS-XEZPLFJOSA-N 1 0 383.945 2.387 20 0 GEADRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000459754776 650432301 /nfs/dbraw/zinc/43/23/01/650432301.db2.gz MCXFAJHITWBEPM-WDEREUQCSA-N 1 0 380.080 2.297 20 0 GEADRO CS[C@H]1CN(C(=O)C2CCN(CC(F)(F)F)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000504873395 650433440 /nfs/dbraw/zinc/43/34/40/650433440.db2.gz SVDXCPMGTOTMLU-GJZGRUSLSA-N 1 0 379.492 2.299 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000459959366 650437008 /nfs/dbraw/zinc/43/70/08/650437008.db2.gz ANPWEVTZRJOIDO-HNNXBMFYSA-N 1 0 382.302 2.133 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000505350769 650436916 /nfs/dbraw/zinc/43/69/16/650436916.db2.gz PTTWNFHWIRYJCQ-CYBMUJFWSA-N 1 0 384.318 2.044 20 0 GEADRO CC(C)[NH+](CCN(C)C(=O)c1sccc1S(=O)(=O)N(C)C)C(C)C ZINC000505396911 650437263 /nfs/dbraw/zinc/43/72/63/650437263.db2.gz QQAKNDJVMQZQIJ-UHFFFAOYSA-N 1 0 375.560 2.189 20 0 GEADRO CS[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000460058597 650438954 /nfs/dbraw/zinc/43/89/54/650438954.db2.gz LLDUYPFLLXSQTA-INIZCTEOSA-N 1 0 383.945 2.194 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)c2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000506141496 650443677 /nfs/dbraw/zinc/44/36/77/650443677.db2.gz XSNZIUZBOAAYOV-STQMWFEESA-N 1 0 395.301 2.326 20 0 GEADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000460932724 650448317 /nfs/dbraw/zinc/44/83/17/650448317.db2.gz JALQRWOVYWCWNJ-UHFFFAOYSA-N 1 0 387.937 2.434 20 0 GEADRO COc1ccc(NC(=O)CC[NH3+])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000506659294 650448506 /nfs/dbraw/zinc/44/85/06/650448506.db2.gz BZVQMLKGLFGNSC-UHFFFAOYSA-N 1 0 383.857 2.437 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cnc(CC)s2)[C@H](C)C1 ZINC000460955928 650448812 /nfs/dbraw/zinc/44/88/12/650448812.db2.gz JKPQDJLGHJEJGO-ZIAGYGMSSA-N 1 0 375.560 2.121 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461436922 650454203 /nfs/dbraw/zinc/45/42/03/650454203.db2.gz FDTAOOAZHHVFEK-HNNXBMFYSA-N 1 0 396.329 2.335 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000461980273 650463355 /nfs/dbraw/zinc/46/33/55/650463355.db2.gz BDVPEJJGCCNOLR-JSGCOSHPSA-N 1 0 386.323 2.451 20 0 GEADRO C[C@H]1CSC[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000507628451 650465368 /nfs/dbraw/zinc/46/53/68/650465368.db2.gz FFZKXLFYAIBXHF-SMDDNHRTSA-N 1 0 385.917 2.087 20 0 GEADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)CCc1ccccc1Br ZINC000462096370 650467805 /nfs/dbraw/zinc/46/78/05/650467805.db2.gz IHOBUFBJBZCZMX-OAHLLOKOSA-N 1 0 387.343 2.490 20 0 GEADRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)CCc1ccccc1Br ZINC000462113847 650469802 /nfs/dbraw/zinc/46/98/02/650469802.db2.gz YBIOTNHYJCOWCF-CQSZACIVSA-N 1 0 375.332 2.347 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462115981 650469818 /nfs/dbraw/zinc/46/98/18/650469818.db2.gz FRZABXPSBIUCRJ-UHFFFAOYSA-N 1 0 387.493 2.271 20 0 GEADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCCCCC[NH+]1CCCC1 ZINC000508102680 650474430 /nfs/dbraw/zinc/47/44/30/650474430.db2.gz OIJVOTUMQPTBOU-UHFFFAOYSA-N 1 0 393.962 2.062 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cn2)C[C@H]1C ZINC000462333438 650475851 /nfs/dbraw/zinc/47/58/51/650475851.db2.gz HCWUIFREXWMERB-DGCLKSJQSA-N 1 0 376.320 2.337 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000462503698 650482188 /nfs/dbraw/zinc/48/21/88/650482188.db2.gz RYIHFQDKELYIGK-UHFFFAOYSA-N 1 0 386.848 2.188 20 0 GEADRO CSC1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CC[NH+](C)CC1 ZINC000462507824 650482309 /nfs/dbraw/zinc/48/23/09/650482309.db2.gz VJLUFCLYTSTRMI-OLZOCXBDSA-N 1 0 383.480 2.016 20 0 GEADRO C[C@H](CCc1ccsc1)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000462797246 650490686 /nfs/dbraw/zinc/49/06/86/650490686.db2.gz CIAVTVPUFRZXSA-CQSZACIVSA-N 1 0 382.555 2.246 20 0 GEADRO COCCN1CC[C@@H]([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000462835023 650490751 /nfs/dbraw/zinc/49/07/51/650490751.db2.gz CUVMGFOSBYYICU-PBHICJAKSA-N 1 0 396.329 2.173 20 0 GEADRO Cn1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c(C(F)F)n1 ZINC000462895270 650492041 /nfs/dbraw/zinc/49/20/41/650492041.db2.gz LAZGTHILKUBPPW-UHFFFAOYSA-N 1 0 392.859 2.469 20 0 GEADRO Cc1cc(N2CCC[C@H]([NH2+]C[C@H]3CN(C)CCO3)C2=O)ccc1Br ZINC000463408334 650495111 /nfs/dbraw/zinc/49/51/11/650495111.db2.gz DGQGXPOTUUFINM-RDJZCZTQSA-N 1 0 396.329 2.173 20 0 GEADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)[C@H](C)C(=O)N(C)C)c1ccc(Cl)cc1 ZINC000509621308 650497453 /nfs/dbraw/zinc/49/74/53/650497453.db2.gz LFCAKJNUEXIFCR-CZUORRHYSA-N 1 0 389.949 2.119 20 0 GEADRO C[C@H]1C[C@H](NC(=O)Cn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000467047892 650501890 /nfs/dbraw/zinc/50/18/90/650501890.db2.gz SAHIOQGJHZEOST-BBRMVZONSA-N 1 0 377.286 2.425 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)CCOc1ccccc1I ZINC000468798396 650507790 /nfs/dbraw/zinc/50/77/90/650507790.db2.gz COSLMUOYPUPXDK-LBPRGKRZSA-N 1 0 388.249 2.271 20 0 GEADRO CN(CC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)c1ccc(Br)o1 ZINC000470342004 650513404 /nfs/dbraw/zinc/51/34/04/650513404.db2.gz ASBASRBEGPGXKF-UHFFFAOYSA-N 1 0 398.301 2.105 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000470344735 650513460 /nfs/dbraw/zinc/51/34/60/650513460.db2.gz VAGIKKMJOIILMJ-UHFFFAOYSA-N 1 0 385.917 2.316 20 0 GEADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000510769402 650518590 /nfs/dbraw/zinc/51/85/90/650518590.db2.gz VZDROOCZJXBBQV-VBNZEHGJSA-N 1 0 385.555 2.186 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000473243031 650525072 /nfs/dbraw/zinc/52/50/72/650525072.db2.gz IHBBIENEFWCCLW-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[N@H+](CCO)CC1CC1 ZINC000510972162 650522360 /nfs/dbraw/zinc/52/23/60/650522360.db2.gz XENUGUJZDMLTIH-UHFFFAOYSA-N 1 0 388.249 2.242 20 0 GEADRO CC[N@H+](CC(=O)NCCOc1ccc(I)cc1)C1CC1 ZINC000511069791 650525223 /nfs/dbraw/zinc/52/52/23/650525223.db2.gz NJKAXKOERGBLDY-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO CN(C)CC[NH+]1CCC(CNC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000511046874 650524111 /nfs/dbraw/zinc/52/41/11/650524111.db2.gz MZLSNRWVSGJDIS-UHFFFAOYSA-N 1 0 398.349 2.053 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCOC1 ZINC000473998438 650526666 /nfs/dbraw/zinc/52/66/66/650526666.db2.gz DGOPQIBBLCJMFI-QGZVFWFLSA-N 1 0 385.302 2.181 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000474107365 650527897 /nfs/dbraw/zinc/52/78/97/650527897.db2.gz YALWPNFULYYSOP-WDEREUQCSA-N 1 0 377.304 2.219 20 0 GEADRO CCCCN(CCCC)C(=O)CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511145074 650528309 /nfs/dbraw/zinc/52/83/09/650528309.db2.gz VEPOMAXZUXEIEI-KRWDZBQOSA-N 1 0 375.579 2.019 20 0 GEADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000511424737 650536671 /nfs/dbraw/zinc/53/66/71/650536671.db2.gz HULSHAFJXSFAPT-UHFFFAOYSA-N 1 0 390.571 2.113 20 0 GEADRO C[C@](CO)([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000511567525 650538755 /nfs/dbraw/zinc/53/87/55/650538755.db2.gz ZUPURUKNBZMFBX-IUODEOHRSA-N 1 0 376.316 2.071 20 0 GEADRO CN1CC[C@@H]([N@H+](C)CCCOc2cccc(I)c2)C1=O ZINC000511621829 650539570 /nfs/dbraw/zinc/53/95/70/650539570.db2.gz HYIIKMAGHSVUSP-CQSZACIVSA-N 1 0 388.249 2.223 20 0 GEADRO COc1ccc(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)c(Br)c1 ZINC000511897200 650541856 /nfs/dbraw/zinc/54/18/56/650541856.db2.gz RQULUQMWIGFCRF-UHFFFAOYSA-N 1 0 396.285 2.412 20 0 GEADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000512059846 650544842 /nfs/dbraw/zinc/54/48/42/650544842.db2.gz HYTNXXGLJMXZJN-MRXNPFEDSA-N 1 0 390.281 2.467 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2ccn(C(F)F)n2)C1 ZINC000512565808 650550604 /nfs/dbraw/zinc/55/06/04/650550604.db2.gz SKHMUZWHBOHARN-NSHDSACASA-N 1 0 376.454 2.140 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000476464560 650550663 /nfs/dbraw/zinc/55/06/63/650550663.db2.gz UUEULQCRGLPDKP-ZBFHGGJFSA-N 1 0 399.329 2.425 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2ccn(C(F)F)n2)C1 ZINC000512565807 650550656 /nfs/dbraw/zinc/55/06/56/650550656.db2.gz SKHMUZWHBOHARN-LLVKDONJSA-N 1 0 376.454 2.140 20 0 GEADRO COc1cc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)ncc1Br ZINC000512315769 650546459 /nfs/dbraw/zinc/54/64/59/650546459.db2.gz VCMSEPRTZFCTDI-UHFFFAOYSA-N 1 0 395.257 2.440 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(Br)c1 ZINC000512404872 650547459 /nfs/dbraw/zinc/54/74/59/650547459.db2.gz VSWDPONPYMWLOP-IUODEOHRSA-N 1 0 391.331 2.265 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512395554 650547483 /nfs/dbraw/zinc/54/74/83/650547483.db2.gz XDCVNPXCYHDIQE-UONOGXRCSA-N 1 0 385.302 2.179 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)C1(c2ccc(Br)cc2)CC1 ZINC000512390030 650547524 /nfs/dbraw/zinc/54/75/24/650547524.db2.gz XJSWWYBYHSTHHG-MRXNPFEDSA-N 1 0 381.314 2.444 20 0 GEADRO C[C@@H]1CN(C(=O)c2ncccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000476535585 650553089 /nfs/dbraw/zinc/55/30/89/650553089.db2.gz DWHVOWKUJYGJLY-CYBMUJFWSA-N 1 0 381.318 2.085 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N[C@H](C)C[NH+]3CCCCCC3)cnc2c1Cl ZINC000476566750 650554203 /nfs/dbraw/zinc/55/42/03/650554203.db2.gz JINLRWMBMQZLRY-GFCCVEGCSA-N 1 0 385.921 2.234 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ncc(Br)s1 ZINC000512849719 650555087 /nfs/dbraw/zinc/55/50/87/650555087.db2.gz GBIPQKGJNMDSSU-VHSXEESVSA-N 1 0 382.349 2.103 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(O)ccc1Br ZINC000512849799 650555095 /nfs/dbraw/zinc/55/50/95/650555095.db2.gz GVWJWTFGHVCQEW-NHYWBVRUSA-N 1 0 391.331 2.352 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cscn1)c1ccccc1Br ZINC000512855182 650555374 /nfs/dbraw/zinc/55/53/74/650555374.db2.gz GFVSQSOECIPJJM-UHFFFAOYSA-N 1 0 390.328 2.364 20 0 GEADRO COc1sc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1Br ZINC000513026384 650556803 /nfs/dbraw/zinc/55/68/03/650556803.db2.gz BMTYVPVNCOJMDN-JTQLQIEISA-N 1 0 397.360 2.423 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@H](C)[N@H+]1C ZINC000513050003 650556985 /nfs/dbraw/zinc/55/69/85/650556985.db2.gz CEIGHDUFWCJDBW-DVOMOZLQSA-N 1 0 381.929 2.406 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000477003449 650565581 /nfs/dbraw/zinc/56/55/81/650565581.db2.gz ASJWMXCTNPSHNI-STQMWFEESA-N 1 0 384.318 2.473 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cnn(CC(F)F)c1)c1ccc(Cl)cc1F ZINC000513497097 650563782 /nfs/dbraw/zinc/56/37/82/650563782.db2.gz QPUFQAYXHJCVGZ-UHFFFAOYSA-N 1 0 396.822 2.009 20 0 GEADRO CN1CCN(C(=O)CC[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)CC1 ZINC000513884876 650570716 /nfs/dbraw/zinc/57/07/16/650570716.db2.gz GSNICPRZNFBJNV-AEFFLSMTSA-N 1 0 386.323 2.047 20 0 GEADRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513888824 650571000 /nfs/dbraw/zinc/57/10/00/650571000.db2.gz HUWOOWDDDXXSKG-NSHDSACASA-N 1 0 379.295 2.302 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000477035671 650567149 /nfs/dbraw/zinc/56/71/49/650567149.db2.gz RTONRZVPEMODNJ-LLVKDONJSA-N 1 0 390.347 2.316 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1CC(F)F ZINC000477467467 650574538 /nfs/dbraw/zinc/57/45/38/650574538.db2.gz JIPVEAVDCMDLKV-OAHLLOKOSA-N 1 0 375.485 2.098 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1c(F)cccc1Cl ZINC000477502712 650575024 /nfs/dbraw/zinc/57/50/24/650575024.db2.gz RIFQCUZWSIPFCR-UHFFFAOYSA-N 1 0 388.896 2.333 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1cccc(Br)c1C ZINC000514614058 650575067 /nfs/dbraw/zinc/57/50/67/650575067.db2.gz AFLREPPARZTFCP-LBPRGKRZSA-N 1 0 384.318 2.220 20 0 GEADRO CN(C)c1ncccc1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000514667587 650576245 /nfs/dbraw/zinc/57/62/45/650576245.db2.gz IKUHMUYQQDADOS-OAHLLOKOSA-N 1 0 380.286 2.440 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000514786011 650579034 /nfs/dbraw/zinc/57/90/34/650579034.db2.gz ZNMPOKOALHNVSX-UHFFFAOYSA-N 1 0 390.347 2.317 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCCS1)c1ccc(Cl)cc1 ZINC000514809431 650580010 /nfs/dbraw/zinc/58/00/10/650580010.db2.gz DYBUFLYHMIVPRD-MAUKXSAKSA-N 1 0 383.945 2.461 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(Br)s2)[C@@H](C)C1 ZINC000477847902 650580078 /nfs/dbraw/zinc/58/00/78/650580078.db2.gz JFHMREPDTFIYRX-NWDGAFQWSA-N 1 0 390.347 2.150 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000514825088 650580433 /nfs/dbraw/zinc/58/04/33/650580433.db2.gz PBRVWDXYPJOXTK-CQSZACIVSA-N 1 0 396.329 2.385 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000515178146 650588778 /nfs/dbraw/zinc/58/87/78/650588778.db2.gz GYNFHVCOYHOUQH-UHFFFAOYSA-N 1 0 384.318 2.213 20 0 GEADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000515208737 650589494 /nfs/dbraw/zinc/58/94/94/650589494.db2.gz KMUAGVNWGNZOAU-UHFFFAOYSA-N 1 0 380.341 2.299 20 0 GEADRO CCSc1ccc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000478875451 650592480 /nfs/dbraw/zinc/59/24/80/650592480.db2.gz XFGSPWPQMIQUEI-MRXNPFEDSA-N 1 0 384.567 2.380 20 0 GEADRO C[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ncc(Br)cn1 ZINC000515621120 650593124 /nfs/dbraw/zinc/59/31/24/650593124.db2.gz YOQJQWODKJOXTN-YNEHKIRRSA-N 1 0 382.306 2.331 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000479036673 650595120 /nfs/dbraw/zinc/59/51/20/650595120.db2.gz XEFFTBZAHFXIKP-SNVBAGLBSA-N 1 0 386.677 2.394 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)c(Br)c1)C(=O)NC1CC[NH2+]CC1 ZINC000516551086 650598730 /nfs/dbraw/zinc/59/87/30/650598730.db2.gz IGDAELGAJKTXFH-UHFFFAOYSA-N 1 0 394.191 2.275 20 0 GEADRO CSC1(CNC(=O)N2CCSC[C@H]2c2cnn(C)c2)CC[NH+](C)CC1 ZINC000516696206 650600568 /nfs/dbraw/zinc/60/05/68/650600568.db2.gz POSYQPZPEMAFLC-HNNXBMFYSA-N 1 0 383.587 2.047 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCCN(C)CC(F)(F)F ZINC000479335090 650601545 /nfs/dbraw/zinc/60/15/45/650601545.db2.gz KKWFXSPYKHNUJQ-CYBMUJFWSA-N 1 0 381.464 2.486 20 0 GEADRO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479390993 650602715 /nfs/dbraw/zinc/60/27/15/650602715.db2.gz LZTOCUSMXHCWBU-XNWIYYODSA-N 1 0 394.324 2.336 20 0 GEADRO [NH3+]CCC1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC1 ZINC000518199861 650602932 /nfs/dbraw/zinc/60/29/32/650602932.db2.gz FHANIWXRUAYNCZ-UHFFFAOYSA-N 1 0 398.276 2.065 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC[C@H]1CC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000518395696 650604194 /nfs/dbraw/zinc/60/41/94/650604194.db2.gz NWVKULHZWAMHIP-CZUORRHYSA-N 1 0 382.302 2.084 20 0 GEADRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000518758068 650607233 /nfs/dbraw/zinc/60/72/33/650607233.db2.gz QJFWFRJDRNXXDA-UGFHNGPFSA-N 1 0 380.286 2.377 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000479749221 650609218 /nfs/dbraw/zinc/60/92/18/650609218.db2.gz QDHBNVZBNVNAFW-UHFFFAOYSA-N 1 0 377.235 2.233 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000519637339 650610560 /nfs/dbraw/zinc/61/05/60/650610560.db2.gz OZFATWXKAXZCJT-HOTGVXAUSA-N 1 0 385.551 2.280 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc([S@@](C)=O)cc1 ZINC000519707103 650610998 /nfs/dbraw/zinc/61/09/98/650610998.db2.gz BCXOIXDXNIQHBQ-LCMBLOJZSA-N 1 0 379.503 2.310 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1ccc(I)c(F)c1 ZINC000520515025 650614829 /nfs/dbraw/zinc/61/48/29/650614829.db2.gz CLELQJUZKZNAEQ-UHFFFAOYSA-N 1 0 394.228 2.128 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000520765383 650616619 /nfs/dbraw/zinc/61/66/19/650616619.db2.gz RTPFSNZDTSAYSK-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO C[C@H](CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[S@](C)=O ZINC000480187345 650617508 /nfs/dbraw/zinc/61/75/08/650617508.db2.gz BTEYSOGJDLYNAP-MZJFNTNISA-N 1 0 394.356 2.414 20 0 GEADRO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)c2cc(Br)ccc21 ZINC000480207955 650617679 /nfs/dbraw/zinc/61/76/79/650617679.db2.gz GLNPEGHZCPPFDC-SWLSCSKDSA-N 1 0 385.327 2.494 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]CCSCCCO)c2cc(Br)ccc21 ZINC000480228752 650618210 /nfs/dbraw/zinc/61/82/10/650618210.db2.gz OOSGNSRTOVCLNY-ZDUSSCGKSA-N 1 0 394.356 2.373 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000521679577 650618634 /nfs/dbraw/zinc/61/86/34/650618634.db2.gz WXCNDJNWDLUYCG-LBPRGKRZSA-N 1 0 391.693 2.318 20 0 GEADRO COc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(Br)c1 ZINC000480292937 650618958 /nfs/dbraw/zinc/61/89/58/650618958.db2.gz LXJORVVWRDQGQW-UHFFFAOYSA-N 1 0 379.320 2.324 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000480465467 650622853 /nfs/dbraw/zinc/62/28/53/650622853.db2.gz DHMHKACGUGBUDJ-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO CC(C)(CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000480529957 650623995 /nfs/dbraw/zinc/62/39/95/650623995.db2.gz OZRYVDVKFYJEDL-MRXNPFEDSA-N 1 0 380.330 2.233 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c(Br)c1 ZINC000480530599 650624058 /nfs/dbraw/zinc/62/40/58/650624058.db2.gz VZXUXZCFWUJWMK-JTQLQIEISA-N 1 0 377.304 2.219 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1ccc(Br)cc1 ZINC000522689666 650626810 /nfs/dbraw/zinc/62/68/10/650626810.db2.gz MJWXJTJEDZHLSE-ZBFHGGJFSA-N 1 0 390.285 2.024 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCn1cc(Br)ccc1=O ZINC000522693169 650626902 /nfs/dbraw/zinc/62/69/02/650626902.db2.gz KYPDEVILUCBCFJ-ZFWWWQNUSA-N 1 0 382.302 2.086 20 0 GEADRO CC(C)CCN(CCC(C)C)S(=O)(=O)NCC1([NH+](C)C)CCOCC1 ZINC000522983414 650630483 /nfs/dbraw/zinc/63/04/83/650630483.db2.gz NFBSLPGPJLDMII-UHFFFAOYSA-N 1 0 377.595 2.326 20 0 GEADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1n[nH]cc1Br ZINC000523432569 650634763 /nfs/dbraw/zinc/63/47/63/650634763.db2.gz RLOAIZMZDRFDRO-ZDUSSCGKSA-N 1 0 380.290 2.144 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000480855820 650634884 /nfs/dbraw/zinc/63/48/84/650634884.db2.gz JFSIAZSXFVJKSM-LKFCYVNXSA-N 1 0 377.279 2.349 20 0 GEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000523449864 650635049 /nfs/dbraw/zinc/63/50/49/650635049.db2.gz KAHVERRBLYJIOH-UHFFFAOYSA-N 1 0 383.495 2.026 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CC(F)F)CC1CCC1 ZINC000480919809 650637668 /nfs/dbraw/zinc/63/76/68/650637668.db2.gz HXRWJQPUPIGTKB-UHFFFAOYSA-N 1 0 378.489 2.117 20 0 GEADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cnc3ccc(Cl)cn23)cc1 ZINC000480924675 650637979 /nfs/dbraw/zinc/63/79/79/650637979.db2.gz HGMVTEPXFYPZOW-UHFFFAOYSA-N 1 0 379.869 2.044 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(Br)s2)CCSC1 ZINC000481391472 650645838 /nfs/dbraw/zinc/64/58/38/650645838.db2.gz HVHYDYBTAFAXAX-LLVKDONJSA-N 1 0 385.374 2.226 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000524468595 650641786 /nfs/dbraw/zinc/64/17/86/650641786.db2.gz RTMOKHLZBRNFRD-LBPRGKRZSA-N 1 0 396.285 2.256 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(F)cc2Br)CCSC1 ZINC000481336636 650644189 /nfs/dbraw/zinc/64/41/89/650644189.db2.gz GQAKGCUSUHOYEW-CYBMUJFWSA-N 1 0 397.335 2.304 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000524721163 650645482 /nfs/dbraw/zinc/64/54/82/650645482.db2.gz SVVLRAAKMGSEFA-NSHDSACASA-N 1 0 388.331 2.041 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccccc2SC)CC1 ZINC000481496973 650647787 /nfs/dbraw/zinc/64/77/87/650647787.db2.gz HUIFRJIXPJLFQM-UHFFFAOYSA-N 1 0 379.507 2.323 20 0 GEADRO CCCNC(=O)NC(=O)C[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000525123433 650649951 /nfs/dbraw/zinc/64/99/51/650649951.db2.gz BSCRVZOXSHMSPQ-UHFFFAOYSA-N 1 0 386.290 2.386 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000525180305 650650767 /nfs/dbraw/zinc/65/07/67/650650767.db2.gz CJZJNDJQEVKCPI-ZDUSSCGKSA-N 1 0 385.917 2.330 20 0 GEADRO CN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@@H]1CCC[N@H+](C)C1 ZINC000525620119 650655141 /nfs/dbraw/zinc/65/51/41/650655141.db2.gz CFMBJTAQMKHTFT-GFCCVEGCSA-N 1 0 378.270 2.457 20 0 GEADRO CC[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481927876 650656654 /nfs/dbraw/zinc/65/66/54/650656654.db2.gz SMPPCBXHBHASMA-CJNGLKHVSA-N 1 0 389.949 2.010 20 0 GEADRO CC[C@@H]([NH2+]C[C@]1(OC)CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481994778 650657856 /nfs/dbraw/zinc/65/78/56/650657856.db2.gz XZNOIXPKDYOJAZ-GDBMZVCRSA-N 1 0 376.906 2.094 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000525835637 650658288 /nfs/dbraw/zinc/65/82/88/650658288.db2.gz BMBKSEUQYCFNKF-HOTGVXAUSA-N 1 0 376.494 2.306 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000482164181 650661141 /nfs/dbraw/zinc/66/11/41/650661141.db2.gz NQYIWCQWLNBUQV-UHFFFAOYSA-N 1 0 388.917 2.420 20 0 GEADRO OCCC1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000526135001 650664289 /nfs/dbraw/zinc/66/42/89/650664289.db2.gz IGGDQHSCMISJQN-OAHLLOKOSA-N 1 0 376.266 2.422 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000527483953 650676737 /nfs/dbraw/zinc/67/67/37/650676737.db2.gz KEYCBOQCPKABHH-STQMWFEESA-N 1 0 395.472 2.301 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NCC[N@H+]3CC=CCC3)nc12 ZINC000527520529 650677568 /nfs/dbraw/zinc/67/75/68/650677568.db2.gz JAVBOZNXTXHMJM-UHFFFAOYSA-N 1 0 392.301 2.466 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000527939022 650683308 /nfs/dbraw/zinc/68/33/08/650683308.db2.gz ZYXMSZILQGSKKR-RISCZKNCSA-N 1 0 376.404 2.245 20 0 GEADRO C[C@H](CNCc1ncc(Cl)cc1Br)C[NH+]1CCN(C)CC1 ZINC000527650847 650681386 /nfs/dbraw/zinc/68/13/86/650681386.db2.gz AIVAJJYIEXHKQG-GFCCVEGCSA-N 1 0 375.742 2.471 20 0 GEADRO CN(C)C(=O)CN1CCC([NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527657726 650681414 /nfs/dbraw/zinc/68/14/14/650681414.db2.gz NKVKZHCTCXIFEY-UHFFFAOYSA-N 1 0 389.725 2.140 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCSC1 ZINC000483964364 650683679 /nfs/dbraw/zinc/68/36/79/650683679.db2.gz VFXNHDZIRPIFDF-OAHLLOKOSA-N 1 0 376.309 2.485 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000527756145 650682406 /nfs/dbraw/zinc/68/24/06/650682406.db2.gz XCFDYKMVMQNBKP-GOSISDBHSA-N 1 0 399.329 2.163 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H](C)[NH+]3CCCC3)c(Cl)cc21 ZINC000528302432 650687820 /nfs/dbraw/zinc/68/78/20/650687820.db2.gz OQEFHNWNFBUONP-GFCCVEGCSA-N 1 0 385.917 2.012 20 0 GEADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000484620644 650687882 /nfs/dbraw/zinc/68/78/82/650687882.db2.gz NSPKHRGHAPZVSS-UONOGXRCSA-N 1 0 391.331 2.253 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000528307111 650688180 /nfs/dbraw/zinc/68/81/80/650688180.db2.gz YYCWLYODXKKKSK-UHFFFAOYSA-N 1 0 380.436 2.078 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000484653533 650688743 /nfs/dbraw/zinc/68/87/43/650688743.db2.gz WODOZXBFGIYGMJ-DAXOMENPSA-N 1 0 385.302 2.410 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528343249 650689596 /nfs/dbraw/zinc/68/95/96/650689596.db2.gz VXHRVWRSCPIUBS-TUAOUCFPSA-N 1 0 382.452 2.084 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccsc2C(F)(F)F)CC1 ZINC000528352572 650690186 /nfs/dbraw/zinc/69/01/86/650690186.db2.gz IBKXCXWVKFISIO-LBPRGKRZSA-N 1 0 375.416 2.321 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000528036802 650684544 /nfs/dbraw/zinc/68/45/44/650684544.db2.gz XVHMQFUPRHTTNP-CRAIPNDOSA-N 1 0 394.313 2.496 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)c1Br ZINC000528686908 650697847 /nfs/dbraw/zinc/69/78/47/650697847.db2.gz AJCFUMCAKMBSIX-ZDUSSCGKSA-N 1 0 383.290 2.270 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@H](O)CN(C)Cc2ccc(F)cc2Br)C[C@H](C)O1 ZINC000485008043 650692071 /nfs/dbraw/zinc/69/20/71/650692071.db2.gz UOUCCLBFBSWXOB-DVOMOZLQSA-N 1 0 389.309 2.490 20 0 GEADRO C[C@@H]1C[NH+](C[C@H](O)CN(C)Cc2ccc(F)cc2Br)C[C@@H](C)O1 ZINC000485008045 650692132 /nfs/dbraw/zinc/69/21/32/650692132.db2.gz UOUCCLBFBSWXOB-XJKCOSOUSA-N 1 0 389.309 2.490 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000528416719 650692963 /nfs/dbraw/zinc/69/29/63/650692963.db2.gz IRADWKVRSMFZBL-LLVKDONJSA-N 1 0 382.404 2.309 20 0 GEADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)COCc1ccco1 ZINC000485125195 650693487 /nfs/dbraw/zinc/69/34/87/650693487.db2.gz SBJGTJHXODNSQT-GFCCVEGCSA-N 1 0 390.299 2.476 20 0 GEADRO Cc1nccc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000528692130 650698163 /nfs/dbraw/zinc/69/81/63/650698163.db2.gz VESZVLSSEHLGEL-CQSZACIVSA-N 1 0 397.317 2.197 20 0 GEADRO C[NH+](C)CCN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CC1 ZINC000485268967 650694660 /nfs/dbraw/zinc/69/46/60/650694660.db2.gz DAHXGWTUDDRPJV-CQSZACIVSA-N 1 0 394.313 2.355 20 0 GEADRO COc1cc(Br)c(NC(=O)NC2(C[NH3+])CCOCC2)cc1OC ZINC000528675861 650697703 /nfs/dbraw/zinc/69/77/03/650697703.db2.gz JTBMYHLVWKOTIY-UHFFFAOYSA-N 1 0 388.262 2.096 20 0 GEADRO CC[C@H]([NH2+][C@H](C)C(=O)NCC(=O)OC)c1cc(F)cc(Br)c1 ZINC000485804206 650700939 /nfs/dbraw/zinc/70/09/39/650700939.db2.gz GUXOTLKCMZKNRI-RNCFNFMXSA-N 1 0 375.238 2.307 20 0 GEADRO [NH3+]CC1(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000529322418 650702680 /nfs/dbraw/zinc/70/26/80/650702680.db2.gz LBSSJLJMLAZIQK-GFCCVEGCSA-N 1 0 387.311 2.379 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486079230 650707061 /nfs/dbraw/zinc/70/70/61/650707061.db2.gz HTVYGNPLOSDFKD-OCCSQVGLSA-N 1 0 382.302 2.400 20 0 GEADRO Cn1cc(C(N)=O)cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530031945 650711188 /nfs/dbraw/zinc/71/11/88/650711188.db2.gz NTFRSRQDKVGISL-CQSZACIVSA-N 1 0 383.279 2.464 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Br)c(F)c3)[C@@H]2C1 ZINC000486685871 650719438 /nfs/dbraw/zinc/71/94/38/650719438.db2.gz QIUDCZZJRHZKGZ-IINYFYTJSA-N 1 0 377.279 2.303 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000486710399 650719884 /nfs/dbraw/zinc/71/98/84/650719884.db2.gz OSOYFHXYRWAIRF-HIFRSBDPSA-N 1 0 398.320 2.430 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCc1cn2c(n1)SCC2 ZINC000530360397 650723236 /nfs/dbraw/zinc/72/32/36/650723236.db2.gz XVZCIPPWIHGZNW-CYBMUJFWSA-N 1 0 380.539 2.146 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CSc1nnnn1C1CC1)c1ccc(Cl)cc1 ZINC000530590310 650727530 /nfs/dbraw/zinc/72/75/30/650727530.db2.gz JSQJRUPHCUDFIN-AWEZNQCLSA-N 1 0 380.905 2.173 20 0 GEADRO Cn1cc(C[C@@H]2CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)cn1 ZINC000530866637 650730175 /nfs/dbraw/zinc/73/01/75/650730175.db2.gz WVHCREXGHXFNIA-YOEHRIQHSA-N 1 0 394.313 2.487 20 0 GEADRO C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@]3([NH+](C)C)CCSC3)cc(Cl)c2O1 ZINC000530891243 650730368 /nfs/dbraw/zinc/73/03/68/650730368.db2.gz FHIJQBVAPMCTEJ-BZNIZROVSA-N 1 0 390.958 2.379 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000487528583 650735074 /nfs/dbraw/zinc/73/50/74/650735074.db2.gz UOPHQAFWIXLKIP-XJKSGUPXSA-N 1 0 398.320 2.430 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000487553882 650735440 /nfs/dbraw/zinc/73/54/40/650735440.db2.gz CLIKSUHERNTYGF-CQSZACIVSA-N 1 0 394.313 2.356 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)c1cccs1 ZINC000531190190 650736045 /nfs/dbraw/zinc/73/60/45/650736045.db2.gz ZDRHRTWTVHSBEN-GJZGRUSLSA-N 1 0 387.571 2.043 20 0 GEADRO CS(=O)(=O)c1ccc(OCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000531720097 650743509 /nfs/dbraw/zinc/74/35/09/650743509.db2.gz IYHIQHMLWOHROG-UHFFFAOYSA-N 1 0 381.416 2.295 20 0 GEADRO CO[C@@H]1C[NH+](CCCOc2cccc(I)c2)C[C@H]1OC ZINC000488002680 650740925 /nfs/dbraw/zinc/74/09/25/650740925.db2.gz YZGXMZAMZBPSBY-HUUCEWRRSA-N 1 0 391.249 2.406 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000531569778 650740977 /nfs/dbraw/zinc/74/09/77/650740977.db2.gz CFRAUDIXUXUUDG-YPMHNXCESA-N 1 0 377.539 2.235 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)Sc1ccc(Br)cc1 ZINC000488310042 650744279 /nfs/dbraw/zinc/74/42/79/650744279.db2.gz HOMXSMVCNQBBLQ-XJKSGUPXSA-N 1 0 398.370 2.436 20 0 GEADRO CCC[NH+]1CCC(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000007369239 642338404 /nfs/dbraw/zinc/33/84/04/642338404.db2.gz QTIPXKGAAKJUBK-UHFFFAOYSA-N 1 0 384.571 2.098 20 0 GEADRO CC[NH+]1CCC(NC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000007964245 642346529 /nfs/dbraw/zinc/34/65/29/642346529.db2.gz QXTUFZOYCJFZGT-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO COC[C@@](C)(O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000531711236 650742907 /nfs/dbraw/zinc/74/29/07/650742907.db2.gz FFIUAKFORVXUPW-HIFRSBDPSA-N 1 0 391.249 2.492 20 0 GEADRO C[NH+](C)CCCNC(=S)NNC(=S)Nc1cccc(Br)c1 ZINC000008108413 642349103 /nfs/dbraw/zinc/34/91/03/642349103.db2.gz DVHMCRLPYYBRCJ-UHFFFAOYSA-N 1 0 390.376 2.066 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2OC)CC1 ZINC000014096835 642376005 /nfs/dbraw/zinc/37/60/05/642376005.db2.gz JIEGUBHXFWPFCS-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO COCCN1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000532514315 650749019 /nfs/dbraw/zinc/74/90/19/650749019.db2.gz MEWCRLPPDIJCND-BBRMVZONSA-N 1 0 384.318 2.477 20 0 GEADRO O=c1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)nc2ccc(Br)cn12 ZINC000532583835 650750395 /nfs/dbraw/zinc/75/03/95/650750395.db2.gz ZNZLYEDELRXEOI-CQSZACIVSA-N 1 0 391.313 2.375 20 0 GEADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1 ZINC000532674229 650751927 /nfs/dbraw/zinc/75/19/27/650751927.db2.gz KVXVXXMDKUZTCP-ZDUSSCGKSA-N 1 0 382.258 2.331 20 0 GEADRO CC[N@H+](Cc1cccc(Br)c1)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000488799898 650750751 /nfs/dbraw/zinc/75/07/51/650750751.db2.gz XPKGZKSOXLVTTA-UKRRQHHQSA-N 1 0 396.329 2.383 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000025810492 642428079 /nfs/dbraw/zinc/42/80/79/642428079.db2.gz IOGPEWLVUFLIMA-MRXNPFEDSA-N 1 0 381.523 2.031 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(I)cc3)[C@@H]2C1 ZINC000488798183 650750843 /nfs/dbraw/zinc/75/08/43/650750843.db2.gz JDMRKZYNRSDAGU-UKRRQHHQSA-N 1 0 384.261 2.386 20 0 GEADRO CC[N@H+](Cc1cccc(Br)c1)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000488799897 650750891 /nfs/dbraw/zinc/75/08/91/650750891.db2.gz XPKGZKSOXLVTTA-HIFRSBDPSA-N 1 0 396.329 2.383 20 0 GEADRO O=C(C[NH2+]C1CCN(c2cnccn2)CC1)Nc1ccc(Br)cc1 ZINC000532880225 650754482 /nfs/dbraw/zinc/75/44/82/650754482.db2.gz POSYDOCMSXUFKZ-UHFFFAOYSA-N 1 0 390.285 2.436 20 0 GEADRO C[C@@H]1C[C@@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000533311226 650759559 /nfs/dbraw/zinc/75/95/59/650759559.db2.gz MLMYRZAHKBLIBZ-DOMZBBRYSA-N 1 0 379.302 2.372 20 0 GEADRO COCC[N@H+](C[C@H](O)COc1cccc(Br)c1)[C@H]1CCO[C@@H]1C ZINC000489448094 650759179 /nfs/dbraw/zinc/75/91/79/650759179.db2.gz JYSHYOXDWZVMSB-KMFMINBZSA-N 1 0 388.302 2.315 20 0 GEADRO COc1ccc(Br)cc1C[N@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000533079957 650756648 /nfs/dbraw/zinc/75/66/48/650756648.db2.gz IMAIRJOYFVHLEP-JKSUJKDBSA-N 1 0 388.302 2.446 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2sccc2Br)[C@@H](C)C1 ZINC000489290788 650757168 /nfs/dbraw/zinc/75/71/68/650757168.db2.gz QPWIAGIPPJNPPE-QWRGUYRKSA-N 1 0 376.320 2.107 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000031890238 642491812 /nfs/dbraw/zinc/49/18/12/642491812.db2.gz XPEPTMCKJCFUTE-ZDUSSCGKSA-N 1 0 394.313 2.403 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](C)[NH+](C)C)ccc1Cl ZINC000033092981 642501282 /nfs/dbraw/zinc/50/12/82/642501282.db2.gz JCWBPAWMZWUPSQ-LBPRGKRZSA-N 1 0 375.922 2.050 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H](C)[NH+](C)C)ccc1Cl ZINC000033092980 642501365 /nfs/dbraw/zinc/50/13/65/642501365.db2.gz JCWBPAWMZWUPSQ-GFCCVEGCSA-N 1 0 375.922 2.050 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)NC[C@@H](C)[NH+](C)C)[nH]c(=O)c2c1C ZINC000033093889 642501529 /nfs/dbraw/zinc/50/15/29/642501529.db2.gz SVCLLHGPGXZWIA-BXKDBHETSA-N 1 0 382.555 2.289 20 0 GEADRO CCC[NH+]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000033471590 642504402 /nfs/dbraw/zinc/50/44/02/642504402.db2.gz MHZDVHCRKKRCDV-UHFFFAOYSA-N 1 0 382.302 2.123 20 0 GEADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1Br ZINC000040446037 642523600 /nfs/dbraw/zinc/52/36/00/642523600.db2.gz VPGMINULSHGQRQ-UHFFFAOYSA-N 1 0 377.279 2.493 20 0 GEADRO O=S(=O)(NCCC[NH+]1CCCC1)c1cc(Br)cnc1Cl ZINC000041066280 642524769 /nfs/dbraw/zinc/52/47/69/642524769.db2.gz UDHJWFDQANWVAP-UHFFFAOYSA-N 1 0 382.711 2.262 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000041925036 642536275 /nfs/dbraw/zinc/53/62/75/642536275.db2.gz ADNPULDOMPCKRC-HIFRSBDPSA-N 1 0 387.571 2.056 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000533950092 650767580 /nfs/dbraw/zinc/76/75/80/650767580.db2.gz ZZWGUAHPQNJIQT-UHFFFAOYSA-N 1 0 392.301 2.444 20 0 GEADRO Cc1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c(F)cc1Br ZINC000490062585 650767592 /nfs/dbraw/zinc/76/75/92/650767592.db2.gz PYJISNCYXZOORV-NSHDSACASA-N 1 0 386.265 2.245 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cncc(I)c2)C1 ZINC000533845685 650766599 /nfs/dbraw/zinc/76/65/99/650766599.db2.gz IEKMZPLRXMSBCV-CYBMUJFWSA-N 1 0 399.276 2.490 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCc2n[nH]cc2Br)[C@@H]1c1ccccc1 ZINC000533947931 650767631 /nfs/dbraw/zinc/76/76/31/650767631.db2.gz IYJNSOKJNTZZHS-ZFWWWQNUSA-N 1 0 378.274 2.417 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C[NH+](C)C ZINC000490062476 650767626 /nfs/dbraw/zinc/76/76/26/650767626.db2.gz ZWVDGYVQYVBGHI-KGLIPLIRSA-N 1 0 390.933 2.231 20 0 GEADRO CNc1nnc(S[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000042467824 642553012 /nfs/dbraw/zinc/55/30/12/642553012.db2.gz HRINYWIUNTXJHJ-GXTWGEPZSA-N 1 0 377.539 2.451 20 0 GEADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490061066 650766981 /nfs/dbraw/zinc/76/69/81/650766981.db2.gz RRGXYBGRDIJENE-AWEZNQCLSA-N 1 0 377.279 2.352 20 0 GEADRO CCOc1ccc(NC(=S)NNC(=S)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000043562749 642562335 /nfs/dbraw/zinc/56/23/35/642562335.db2.gz RYLAQEGAPVEVMG-CQSZACIVSA-N 1 0 381.571 2.235 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000490053461 650767049 /nfs/dbraw/zinc/76/70/49/650767049.db2.gz KDSPDQVVKWBVBQ-SECBINFHSA-N 1 0 383.283 2.073 20 0 GEADRO CC(C)C[C@H](CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+](C)C ZINC000044157248 642570258 /nfs/dbraw/zinc/57/02/58/642570258.db2.gz SAYIQOYHWQSDMP-OAHLLOKOSA-N 1 0 386.587 2.200 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH+](C)C)c1 ZINC000045164509 642590348 /nfs/dbraw/zinc/59/03/48/642590348.db2.gz SCAHNJXAWZTRIO-UHFFFAOYSA-N 1 0 375.922 2.050 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000046036465 642602518 /nfs/dbraw/zinc/60/25/18/642602518.db2.gz IHYSYBIYGYQQBV-UONOGXRCSA-N 1 0 389.315 2.363 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@H]1[NH+](C)C ZINC000534171857 650770101 /nfs/dbraw/zinc/77/01/01/650770101.db2.gz NDCWXTOXZOROHQ-PWSUYJOCSA-N 1 0 384.445 2.251 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@H]1[NH+](C)C ZINC000534171858 650770189 /nfs/dbraw/zinc/77/01/89/650770189.db2.gz NDCWXTOXZOROHQ-ZYHUDNBSSA-N 1 0 384.445 2.251 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1cnc2n(c1=O)CCS2)c1ccsc1 ZINC000046946045 642620186 /nfs/dbraw/zinc/62/01/86/642620186.db2.gz BHVYWQFEIBVVFQ-CQSZACIVSA-N 1 0 378.523 2.223 20 0 GEADRO CCn1cc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)nc1C ZINC000534310901 650772022 /nfs/dbraw/zinc/77/20/22/650772022.db2.gz URQRFPDIECXBSZ-UHFFFAOYSA-N 1 0 386.587 2.241 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1cccs1 ZINC000047872389 642640822 /nfs/dbraw/zinc/64/08/22/642640822.db2.gz YAYANWKSQWSRFQ-ZDUSSCGKSA-N 1 0 387.914 2.082 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000049048468 642666452 /nfs/dbraw/zinc/66/64/52/642666452.db2.gz WYBXSGXKGBKNQZ-HNNXBMFYSA-N 1 0 388.295 2.405 20 0 GEADRO CS[C@H]1CN(C(=O)c2cccc(I)c2)C[C@@H]1[NH+](C)C ZINC000534092288 650769022 /nfs/dbraw/zinc/76/90/22/650769022.db2.gz ZRYMXJKCNBDVBS-STQMWFEESA-N 1 0 390.290 2.409 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000050045343 642675525 /nfs/dbraw/zinc/67/55/25/642675525.db2.gz FNOKDPNGKVIOAM-UHFFFAOYSA-N 1 0 376.682 2.292 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000050204018 642678465 /nfs/dbraw/zinc/67/84/65/642678465.db2.gz RZSLMVYZXTWXIC-AWEZNQCLSA-N 1 0 380.286 2.393 20 0 GEADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000050246634 642678938 /nfs/dbraw/zinc/67/89/38/642678938.db2.gz PTZWMSYUPDUJIG-MRVPVSSYSA-N 1 0 398.120 2.181 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000051283431 642693202 /nfs/dbraw/zinc/69/32/02/642693202.db2.gz LUXZZXUHEVOPFT-SNVBAGLBSA-N 1 0 388.331 2.229 20 0 GEADRO CCCS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000052642970 642724055 /nfs/dbraw/zinc/72/40/55/642724055.db2.gz HWMRXRYFAZQLPU-UHFFFAOYSA-N 1 0 387.933 2.462 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053688424 642735702 /nfs/dbraw/zinc/73/57/02/642735702.db2.gz CVSWNAOTUXSPFF-TXEJJXNPSA-N 1 0 376.954 2.417 20 0 GEADRO 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O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000536357541 650800884 /nfs/dbraw/zinc/80/08/84/650800884.db2.gz COSMHHXCQGWFJO-CYBMUJFWSA-N 1 0 391.269 2.383 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000068347818 642990443 /nfs/dbraw/zinc/99/04/43/642990443.db2.gz LMDQLLQCYDBPAL-AWEZNQCLSA-N 1 0 375.485 2.305 20 0 GEADRO CCC[NH+](CCC)CCCC(=O)NNC(=O)c1cc(Br)cn1C ZINC000068388035 642992560 /nfs/dbraw/zinc/99/25/60/642992560.db2.gz IPDKLPDBGVCPQU-UHFFFAOYSA-N 1 0 387.322 2.451 20 0 GEADRO C[NH+](C)CCOC1CCN(c2cc(Br)cc(F)c2C(N)=O)CC1 ZINC000536706059 650806066 /nfs/dbraw/zinc/80/60/66/650806066.db2.gz CXCQQNNMCZNWMH-UHFFFAOYSA-N 1 0 388.281 2.234 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000536731356 650806808 /nfs/dbraw/zinc/80/68/08/650806808.db2.gz KXSPKYLGTWKQQW-CYBMUJFWSA-N 1 0 392.301 2.296 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000069607505 643036777 /nfs/dbraw/zinc/03/67/77/643036777.db2.gz MCBWQWHCGNMTNH-UHFFFAOYSA-N 1 0 377.290 2.095 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCCS(=O)(=O)CC ZINC000069694533 643038817 /nfs/dbraw/zinc/03/88/17/643038817.db2.gz TZJWEYVDTTUZPR-UHFFFAOYSA-N 1 0 375.560 2.036 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1 ZINC000536840503 650808393 /nfs/dbraw/zinc/80/83/93/650808393.db2.gz RCRNYPUHEVCCTL-AWEZNQCLSA-N 1 0 388.555 2.314 20 0 GEADRO CNC(=O)c1cccc(NC(=O)NCCC[NH+]2CCCC2)c1Br ZINC000494467371 650808655 /nfs/dbraw/zinc/80/86/55/650808655.db2.gz AVHLOJUGMAAIQR-UHFFFAOYSA-N 1 0 383.290 2.416 20 0 GEADRO O=C(CNC(=O)c1ccsc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000069974439 643046382 /nfs/dbraw/zinc/04/63/82/643046382.db2.gz OILWOSYUPKZQGC-UHFFFAOYSA-N 1 0 381.567 2.346 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1OC ZINC000071330542 643060222 /nfs/dbraw/zinc/06/02/22/643060222.db2.gz VIKOUVAMPRQGEK-LBPRGKRZSA-N 1 0 377.304 2.220 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC000080216929 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CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)s1 ZINC000494628960 650813399 /nfs/dbraw/zinc/81/33/99/650813399.db2.gz APBQIOPNTGYGSF-RHSMWYFYSA-N 1 0 385.599 2.393 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000494685178 650814453 /nfs/dbraw/zinc/81/44/53/650814453.db2.gz IRTNCVVCLQLJGL-CQSZACIVSA-N 1 0 380.432 2.488 20 0 GEADRO CC[N@H+](CCNC(=O)NCC(=O)Nc1cc(Br)ccc1C)C1CC1 ZINC000102015535 643120522 /nfs/dbraw/zinc/12/05/22/643120522.db2.gz PTJODAKPABJZGY-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000494721860 650815154 /nfs/dbraw/zinc/81/51/54/650815154.db2.gz NQFAHINKDKDJOM-LBPRGKRZSA-N 1 0 398.301 2.198 20 0 GEADRO Cn1c(SCC(=O)NCCC2CC[NH+](C)CC2)nnc1-c1cccs1 ZINC000102640194 643130669 /nfs/dbraw/zinc/13/06/69/643130669.db2.gz ZWEMDUZZICMVMU-UHFFFAOYSA-N 1 0 379.555 2.484 20 0 GEADRO CNC(=O)CCOC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000494938344 650819409 /nfs/dbraw/zinc/81/94/09/650819409.db2.gz OQRATIRTJLWXDM-UHFFFAOYSA-N 1 0 385.302 2.445 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000104406977 643182924 /nfs/dbraw/zinc/18/29/24/643182924.db2.gz CDKMKGIQIBKILS-LRDDRELGSA-N 1 0 381.929 2.454 20 0 GEADRO C[NH+]1CCC(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000104364142 643183069 /nfs/dbraw/zinc/18/30/69/643183069.db2.gz QKKHUXWIXMEXDF-INIZCTEOSA-N 1 0 381.929 2.313 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000104387293 643183100 /nfs/dbraw/zinc/18/31/00/643183100.db2.gz OXSGLQUXZPPAIF-CYBMUJFWSA-N 1 0 383.290 2.115 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000104936857 643197177 /nfs/dbraw/zinc/19/71/77/643197177.db2.gz VMMOROCOSSNLEH-DOTOQJQBSA-N 1 0 380.330 2.449 20 0 GEADRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000104975679 643198578 /nfs/dbraw/zinc/19/85/78/643198578.db2.gz PDTUZMVNJPQELR-ZDUSSCGKSA-N 1 0 397.317 2.466 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)Nc1cccc(I)c1 ZINC000104975081 643198593 /nfs/dbraw/zinc/19/85/93/643198593.db2.gz XNQIHDSSIBJRLV-UHFFFAOYSA-N 1 0 391.253 2.333 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000105223339 643202218 /nfs/dbraw/zinc/20/22/18/643202218.db2.gz WHWGQFKCXCDKOQ-UHFFFAOYSA-N 1 0 388.306 2.177 20 0 GEADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCN1CCCS1(=O)=O ZINC000105473507 643206974 /nfs/dbraw/zinc/20/69/74/643206974.db2.gz BXQIUAKPZCRDJU-UHFFFAOYSA-N 1 0 382.917 2.268 20 0 GEADRO C[N@H+](CC(=O)NCc1ccc(Cl)s1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106075743 643220230 /nfs/dbraw/zinc/22/02/30/643220230.db2.gz AMBXQHMHWJYCOR-ZDUSSCGKSA-N 1 0 379.917 2.409 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccn1-c1cccc(I)c1 ZINC000495130133 650822857 /nfs/dbraw/zinc/82/28/57/650822857.db2.gz HFRXPXYLDVACMU-NHAGDIPZSA-N 1 0 393.228 2.030 20 0 GEADRO C[NH+](C)CCSCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000106459253 643232231 /nfs/dbraw/zinc/23/22/31/643232231.db2.gz KWIGOQQRMODGFM-UHFFFAOYSA-N 1 0 377.341 2.332 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000106803003 643238819 /nfs/dbraw/zinc/23/88/19/643238819.db2.gz VACZHLGSPVVZND-CQSZACIVSA-N 1 0 384.293 2.440 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000106805990 643239732 /nfs/dbraw/zinc/23/97/32/643239732.db2.gz CRBZGQMDCYLVCO-KRWDZBQOSA-N 1 0 380.330 2.230 20 0 GEADRO O=C(CN1CSCC1=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106829436 643239989 /nfs/dbraw/zinc/23/99/89/643239989.db2.gz OIYYBGLXVGCNLR-UHFFFAOYSA-N 1 0 381.929 2.201 20 0 GEADRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000106865570 643242342 /nfs/dbraw/zinc/24/23/42/643242342.db2.gz XRTQBYRTFQUWMQ-RISCZKNCSA-N 1 0 388.249 2.465 20 0 GEADRO CC(C)[N@@H+](CC(=O)Nc1ccc(I)cc1)C[C@@H](C)O ZINC000107043729 643248816 /nfs/dbraw/zinc/24/88/16/643248816.db2.gz SGDSMEOZGBZPMN-LLVKDONJSA-N 1 0 376.238 2.321 20 0 GEADRO CC(C)[N@@H+](CC(=O)Nc1cccc(I)c1)C[C@H](C)O ZINC000107043451 643248974 /nfs/dbraw/zinc/24/89/74/643248974.db2.gz 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CCN1CC[NH+](CCCCNC(=O)Nc2cccnc2Br)CC1 ZINC000120036266 643587523 /nfs/dbraw/zinc/58/75/23/643587523.db2.gz RGGRDHMMNKFXSF-UHFFFAOYSA-N 1 0 384.322 2.383 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)CCn1cc(Br)ccc1=O)c1ccccc1 ZINC000120112870 643592768 /nfs/dbraw/zinc/59/27/68/643592768.db2.gz GRWJTSBGTDONHR-MRXNPFEDSA-N 1 0 392.297 2.420 20 0 GEADRO CC(C)[C@H](CNC(=O)Nc1cccnc1Br)[NH+]1CCN(C)CC1 ZINC000120160808 643594409 /nfs/dbraw/zinc/59/44/09/643594409.db2.gz MRWHMJBEZQNWBT-AWEZNQCLSA-N 1 0 384.322 2.238 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000120257167 643596577 /nfs/dbraw/zinc/59/65/77/643596577.db2.gz NSZYZTHNDYQGHM-QMMMGPOBSA-N 1 0 394.640 2.435 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000120369467 643601851 /nfs/dbraw/zinc/60/18/51/643601851.db2.gz HOWZVCVETHLDAJ-NHYWBVRUSA-N 1 0 398.276 2.469 20 0 GEADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000120402955 643604574 /nfs/dbraw/zinc/60/45/74/643604574.db2.gz CKHNYAWKTMPGHW-UHFFFAOYSA-N 1 0 385.258 2.090 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000120467159 643609285 /nfs/dbraw/zinc/60/92/85/643609285.db2.gz NDYPJPPKYMECFI-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO COc1ccc(Br)cc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000120481976 643610605 /nfs/dbraw/zinc/61/06/05/643610605.db2.gz OQLWLRLUQBAOAF-ZDUSSCGKSA-N 1 0 384.318 2.071 20 0 GEADRO O=Cc1cc(Br)ccc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000120846693 643625340 /nfs/dbraw/zinc/62/53/40/643625340.db2.gz HYCMSZCTCAMXGE-UHFFFAOYSA-N 1 0 381.270 2.383 20 0 GEADRO C[C@@H](CNC(=O)C1(c2cccc(Br)c2)CC1)C[NH+]1CCN(C)CC1 ZINC000121814323 643642475 /nfs/dbraw/zinc/64/24/75/643642475.db2.gz LWZNDCXOGIRGQV-HNNXBMFYSA-N 1 0 394.357 2.480 20 0 GEADRO CC[C@@H]([NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@H](O)C(F)(F)F ZINC000498369283 650855164 /nfs/dbraw/zinc/85/51/64/650855164.db2.gz MLIGOQQAYGHMKW-YGRLFVJLSA-N 1 0 384.782 2.004 20 0 GEADRO CN(CC(=O)Nc1ccccc1I)CC(C)(C)C[NH3+] ZINC000122427666 643654636 /nfs/dbraw/zinc/65/46/36/643654636.db2.gz QKBIQXLGGIWMKX-UHFFFAOYSA-N 1 0 375.254 2.146 20 0 GEADRO COc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1I ZINC000123409140 643667903 /nfs/dbraw/zinc/66/79/03/643667903.db2.gz PHYVCKJBEFBHNG-UHFFFAOYSA-N 1 0 376.238 2.370 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000498441346 650856689 /nfs/dbraw/zinc/85/66/89/650856689.db2.gz CZPJIYVLMYFRJW-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@H+]1C ZINC000540019913 650856712 /nfs/dbraw/zinc/85/67/12/650856712.db2.gz DQNQMSXEAKVCKY-WWGRRREGSA-N 1 0 394.313 2.353 20 0 GEADRO CCC(=O)N1CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000124049128 643680973 /nfs/dbraw/zinc/68/09/73/643680973.db2.gz KSJLOYQURDZWQI-UHFFFAOYSA-N 1 0 393.285 2.061 20 0 GEADRO COCCOC[C@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124231094 643683397 /nfs/dbraw/zinc/68/33/97/643683397.db2.gz QYLMSNWVBGPINW-ZDUSSCGKSA-N 1 0 396.285 2.101 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000124247579 643684042 /nfs/dbraw/zinc/68/40/42/643684042.db2.gz NEQMKSKWFJGBPP-UHFFFAOYSA-N 1 0 376.906 2.432 20 0 GEADRO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000540183581 650858530 /nfs/dbraw/zinc/85/85/30/650858530.db2.gz RPFINPKWBSRREG-HUUCEWRRSA-N 1 0 385.961 2.245 20 0 GEADRO CC(C)[C@@H](CNC(=O)N(C)CC(C)(C)S(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000124741203 643689794 /nfs/dbraw/zinc/68/97/94/643689794.db2.gz IAXHHUUZFTZDLT-MRXNPFEDSA-N 1 0 375.579 2.208 20 0 GEADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(Br)cc2O)CC1 ZINC000124881282 643691957 /nfs/dbraw/zinc/69/19/57/643691957.db2.gz ZENFVVYTEBVZML-UHFFFAOYSA-N 1 0 384.318 2.158 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000498648089 650861895 /nfs/dbraw/zinc/86/18/95/650861895.db2.gz AVVLWZOVDUJICT-SWLSCSKDSA-N 1 0 382.302 2.258 20 0 GEADRO CC[N@H+](CCC1CCN(C(=O)NC[C@H](C)S(C)(=O)=O)CC1)CC(C)C ZINC000540281247 650862228 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C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000127581215 643779170 /nfs/dbraw/zinc/77/91/70/643779170.db2.gz YMFRZLLUEGETIM-GFCCVEGCSA-N 1 0 387.311 2.026 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127574722 643779210 /nfs/dbraw/zinc/77/92/10/643779210.db2.gz FFUJRTKQCFXDBH-CYBMUJFWSA-N 1 0 381.318 2.468 20 0 GEADRO Cc1cccn2c(C[NH2+]CCNS(=O)(=O)c3ccc(Cl)s3)cnc12 ZINC000127805862 643786295 /nfs/dbraw/zinc/78/62/95/643786295.db2.gz ZTKFRHNNABEZFB-UHFFFAOYSA-N 1 0 384.914 2.426 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])s2)CC1 ZINC000128167075 643793853 /nfs/dbraw/zinc/79/38/53/643793853.db2.gz SBAPLNXEIUTYCP-ZIAGYGMSSA-N 1 0 385.555 2.168 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000128242740 643795325 /nfs/dbraw/zinc/79/53/25/643795325.db2.gz SHWGIGNLMGQERH-HZPDHXFCSA-N 1 0 387.933 2.369 20 0 GEADRO C[NH+](C)CCn1nnnc1SCC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000128730904 643810654 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GEADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000151290173 643935935 /nfs/dbraw/zinc/93/59/35/643935935.db2.gz ZNTYDWPAHRURNT-CZUORRHYSA-N 1 0 396.329 2.366 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151322208 643937351 /nfs/dbraw/zinc/93/73/51/643937351.db2.gz MGRFTHPBPKCGEC-QGZVFWFLSA-N 1 0 392.297 2.406 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C[N@@H+]1C1CC1 ZINC000151824316 643954913 /nfs/dbraw/zinc/95/49/13/643954913.db2.gz CPDGQWIAYQZEQB-MWLCHTKSSA-N 1 0 384.249 2.268 20 0 GEADRO OCC[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccccc1Br ZINC000541952769 650883525 /nfs/dbraw/zinc/88/35/25/650883525.db2.gz ZLMVAGDYTSFGSZ-VBQJREDUSA-N 1 0 388.302 2.019 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000153688567 644001373 /nfs/dbraw/zinc/00/13/73/644001373.db2.gz ARUZBSVZFQTRDJ-AWEZNQCLSA-N 1 0 378.300 2.294 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000153782399 644006241 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CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@@H]1C ZINC000542082939 650886048 /nfs/dbraw/zinc/88/60/48/650886048.db2.gz ILFCLCBRZSYQAU-WDEREUQCSA-N 1 0 396.285 2.335 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(Br)n1 ZINC000154440441 644041600 /nfs/dbraw/zinc/04/16/00/644041600.db2.gz XUKVRUZPXIASAN-CYBMUJFWSA-N 1 0 397.317 2.424 20 0 GEADRO CCC[NH2+]CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000154551982 644051248 /nfs/dbraw/zinc/05/12/48/644051248.db2.gz WMQZEIPGFYWMOX-OAHLLOKOSA-N 1 0 382.302 2.170 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000154593127 644054324 /nfs/dbraw/zinc/05/43/24/644054324.db2.gz XCKBSXGSRWSDCY-DOMZBBRYSA-N 1 0 384.318 2.175 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)CCC(=O)c1ccc(I)cc1 ZINC000154631155 644057263 /nfs/dbraw/zinc/05/72/63/644057263.db2.gz GGQBYPDZEQZNEE-LLVKDONJSA-N 1 0 388.249 2.226 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)c1cccn2c(I)cnc12 ZINC000155416557 644070949 /nfs/dbraw/zinc/07/09/49/644070949.db2.gz VTXDVYYSKLIMAX-SNVBAGLBSA-N 1 0 386.237 2.042 20 0 GEADRO C[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC(=O)N1 ZINC000542619725 650891243 /nfs/dbraw/zinc/89/12/43/650891243.db2.gz POVNWDRPHNSRJU-DZGCQCFKSA-N 1 0 396.329 2.254 20 0 GEADRO C[C@@H]([NH2+]Cc1cccs1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000156501697 644099420 /nfs/dbraw/zinc/09/94/20/644099420.db2.gz VHOPQWUUGYHRCF-GFCCVEGCSA-N 1 0 388.536 2.325 20 0 GEADRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000156731230 644114346 /nfs/dbraw/zinc/11/43/46/644114346.db2.gz VFTNJZMGXJCNJG-UONOGXRCSA-N 1 0 384.318 2.477 20 0 GEADRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000156829996 644119740 /nfs/dbraw/zinc/11/97/40/644119740.db2.gz IFTOVWRQGJZIJQ-UONOGXRCSA-N 1 0 384.318 2.477 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000156840214 644120593 /nfs/dbraw/zinc/12/05/93/644120593.db2.gz ZMWUXFDPDKXXPG-ZDUSSCGKSA-N 1 0 386.901 2.233 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)[C@H](C)C1 ZINC000156842277 644121238 /nfs/dbraw/zinc/12/12/38/644121238.db2.gz QAHPKFCDXRWRJR-WBMJQRKESA-N 1 0 388.917 2.477 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)C1 ZINC000156849688 644121887 /nfs/dbraw/zinc/12/18/87/644121887.db2.gz FDVKNZHOIDNQKX-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO O=[N+]([O-])c1nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000157936110 644138450 /nfs/dbraw/zinc/13/84/50/644138450.db2.gz MPRAMDWEXVEVRB-BXUZGUMPSA-N 1 0 384.278 2.460 20 0 GEADRO CC(C)(O)C[NH+]1CCN(Cn2nc3sc4ccccc4n3c2=S)CC1 ZINC000158594340 644151021 /nfs/dbraw/zinc/15/10/21/644151021.db2.gz NNCBKSHSEZHQAO-UHFFFAOYSA-N 1 0 377.539 2.426 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000158623958 644152308 /nfs/dbraw/zinc/15/23/08/644152308.db2.gz NVYAATSCONDSMZ-IPYPFGDCSA-N 1 0 394.313 2.436 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000158731197 644156902 /nfs/dbraw/zinc/15/69/02/644156902.db2.gz KWMOPHHLMQPTEV-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO Cc1csc([C@H](C)[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)n1 ZINC000158809077 644160862 /nfs/dbraw/zinc/16/08/62/644160862.db2.gz RZWMWAVRNPVBRF-ZDUSSCGKSA-N 1 0 383.543 2.295 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(Cc3nnnn3-c3ccccc3Br)CC[C@@H]21 ZINC000158898061 644166215 /nfs/dbraw/zinc/16/62/15/644166215.db2.gz CGOGNALMBHXSKE-HIFRSBDPSA-N 1 0 391.317 2.341 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000158918957 644167616 /nfs/dbraw/zinc/16/76/16/644167616.db2.gz WUWQVVVVJPWIPS-LLVKDONJSA-N 1 0 398.248 2.011 20 0 GEADRO CC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000543054361 650898684 /nfs/dbraw/zinc/89/86/84/650898684.db2.gz JMUIJXBTSNSNAV-KRWDZBQOSA-N 1 0 383.901 2.035 20 0 GEADRO CCC[C@@H]1CN(Cn2ncn(CC(F)(F)F)c2=S)CC[N@@H+]1CCOC ZINC000159745865 644194760 /nfs/dbraw/zinc/19/47/60/644194760.db2.gz GTNPNAOTFQJJRE-CYBMUJFWSA-N 1 0 381.468 2.367 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000161680223 644214720 /nfs/dbraw/zinc/21/47/20/644214720.db2.gz JUIOQMOKLUFCIO-GFCCVEGCSA-N 1 0 381.325 2.365 20 0 GEADRO CC(C)N(C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161830348 644222156 /nfs/dbraw/zinc/22/21/56/644222156.db2.gz IPQJQAHCZHZVBN-HNNXBMFYSA-N 1 0 375.922 2.185 20 0 GEADRO NC(=O)[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000162020732 644229772 /nfs/dbraw/zinc/22/97/72/644229772.db2.gz HKLHBWJZEPAMDY-VXGBXAGGSA-N 1 0 380.208 2.202 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cccc(OC(F)F)c1 ZINC000162369040 644235083 /nfs/dbraw/zinc/23/50/83/644235083.db2.gz SDHZSOIWUOBSEY-NSHDSACASA-N 1 0 375.397 2.046 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cccc(C(F)(F)F)c1 ZINC000162399493 644235907 /nfs/dbraw/zinc/23/59/07/644235907.db2.gz LUYRWKDLTXROCS-LLVKDONJSA-N 1 0 377.388 2.464 20 0 GEADRO Cn1c(C(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1-c1ccc(Br)cc1 ZINC000162424306 644237380 /nfs/dbraw/zinc/23/73/80/644237380.db2.gz YYLRCGAYKCTSKN-HNNXBMFYSA-N 1 0 391.313 2.170 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)cc1Cl ZINC000164124021 644259023 /nfs/dbraw/zinc/25/90/23/644259023.db2.gz BKODOEFBXSTHJD-UHFFFAOYSA-N 1 0 388.295 2.203 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(CN3c4ccc(Br)cc4C(=O)C3=O)CC[C@@H]21 ZINC000164613835 644267321 /nfs/dbraw/zinc/26/73/21/644267321.db2.gz IZJGDOPHKZYPSH-WFASDCNBSA-N 1 0 392.297 2.352 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000166104535 644272227 /nfs/dbraw/zinc/27/22/27/644272227.db2.gz MGXZLRUXPHEKHM-IUODEOHRSA-N 1 0 386.359 2.472 20 0 GEADRO CO[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000170818195 644288801 /nfs/dbraw/zinc/28/88/01/644288801.db2.gz BBNBGXIRATXJPF-AWEZNQCLSA-N 1 0 387.311 2.148 20 0 GEADRO CC(C)NS(=O)(=O)CCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000170913084 644296611 /nfs/dbraw/zinc/29/66/11/644296611.db2.gz RJQYOVRBLFEHKV-JTQLQIEISA-N 1 0 381.329 2.287 20 0 GEADRO CCn1cc(Br)cc1C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000170949767 644298038 /nfs/dbraw/zinc/29/80/38/644298038.db2.gz XFRNXHZDGIEJSY-OAHLLOKOSA-N 1 0 383.334 2.123 20 0 GEADRO CC(C)C[NH+]1CCN(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000171038023 644303041 /nfs/dbraw/zinc/30/30/41/644303041.db2.gz QGIGDQFWBUNVOI-QGZVFWFLSA-N 1 0 384.933 2.400 20 0 GEADRO COc1cc(Br)c(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000171053104 644304433 /nfs/dbraw/zinc/30/44/33/644304433.db2.gz NMQIYSNKPSZVSC-GFCCVEGCSA-N 1 0 386.290 2.360 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)C[C@@H]1CCCCO1 ZINC000171087298 644307182 /nfs/dbraw/zinc/30/71/82/644307182.db2.gz ALWRXTKIZWKEAX-INIZCTEOSA-N 1 0 376.469 2.227 20 0 GEADRO NC(=O)c1ncc(Br)cc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000543398505 650910233 /nfs/dbraw/zinc/91/02/33/650910233.db2.gz LQAXUJRBXPBDAF-UHFFFAOYSA-N 1 0 375.270 2.413 20 0 GEADRO CCN1C(=S)N=NC1C1CCN(C(=O)CSCC[NH+](CC)CC)CC1 ZINC000172802398 644344904 /nfs/dbraw/zinc/34/49/04/644344904.db2.gz VGDIGBGIWOKRKD-UHFFFAOYSA-N 1 0 385.603 2.368 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000173490450 644358481 /nfs/dbraw/zinc/35/84/81/644358481.db2.gz IXFWCXYDHQARCN-GFCCVEGCSA-N 1 0 380.286 2.210 20 0 GEADRO O=c1c(Cl)c(Cl)cnn1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174103257 644369090 /nfs/dbraw/zinc/36/90/90/644369090.db2.gz SUAVUWNNQLAILT-UHFFFAOYSA-N 1 0 375.300 2.084 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CSC(=O)N1 ZINC000174353584 644372989 /nfs/dbraw/zinc/37/29/89/644372989.db2.gz GIVRCLDCMJORAD-CYBMUJFWSA-N 1 0 386.315 2.164 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)CSc2nnc(-c3cccs3)n2C)C1 ZINC000543581937 650914812 /nfs/dbraw/zinc/91/48/12/650914812.db2.gz NHMBMEHVJFLISM-CYBMUJFWSA-N 1 0 379.555 2.484 20 0 GEADRO CCCn1nc(C)c(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1C ZINC000177581630 644419091 /nfs/dbraw/zinc/41/90/91/644419091.db2.gz OSKGVROPYAOKEM-UHFFFAOYSA-N 1 0 378.489 2.264 20 0 GEADRO Cc1nc(Cl)sc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000177809132 644427034 /nfs/dbraw/zinc/42/70/34/644427034.db2.gz XBFQOMIIWZTPIY-UHFFFAOYSA-N 1 0 380.901 2.326 20 0 GEADRO CC(C)[C@H](C)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000178579858 644434632 /nfs/dbraw/zinc/43/46/32/644434632.db2.gz YSZPMQHBSSJVAR-ZIAGYGMSSA-N 1 0 376.544 2.355 20 0 GEADRO O=C(CSCC(F)(F)F)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000543707235 650920798 /nfs/dbraw/zinc/92/07/98/650920798.db2.gz HSBZRKZXJCHFEO-HUUCEWRRSA-N 1 0 376.444 2.281 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC1 ZINC000178818109 644442100 /nfs/dbraw/zinc/44/21/00/644442100.db2.gz HGNPYUFSVUDHNX-SNVBAGLBSA-N 1 0 388.331 2.168 20 0 GEADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000178941168 644445944 /nfs/dbraw/zinc/44/59/44/644445944.db2.gz MYPWEJUYFFREHP-VIFPVBQESA-N 1 0 381.281 2.010 20 0 GEADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000178945589 644446645 /nfs/dbraw/zinc/44/66/45/644446645.db2.gz SECCWYRLXCYYLQ-JTQLQIEISA-N 1 0 387.221 2.450 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000178965010 644447627 /nfs/dbraw/zinc/44/76/27/644447627.db2.gz RTJTZFPXBXSHNH-SCZZXKLOSA-N 1 0 382.711 2.293 20 0 GEADRO C[C@H](C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCc2sccc2C1 ZINC000180060319 644485384 /nfs/dbraw/zinc/48/53/84/644485384.db2.gz OQXWLJOQVQKYKD-ZIAGYGMSSA-N 1 0 379.551 2.493 20 0 GEADRO CC(C)[C@H]([NH2+]CCOc1ccccc1Br)C(=O)N1CCOCC1 ZINC000180059470 644485584 /nfs/dbraw/zinc/48/55/84/644485584.db2.gz KTNYGKPBFCBDKR-INIZCTEOSA-N 1 0 385.302 2.301 20 0 GEADRO OC[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1cccc(Br)c1 ZINC000543838241 650925900 /nfs/dbraw/zinc/92/59/00/650925900.db2.gz DIAALPYNMKBBBR-INIZCTEOSA-N 1 0 388.269 2.291 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c(F)cccc2Br)CC1 ZINC000180547244 644506572 /nfs/dbraw/zinc/50/65/72/644506572.db2.gz WSOWJHDBJHYBFT-MRXNPFEDSA-N 1 0 384.293 2.327 20 0 GEADRO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)Cn2cc(Br)cn2)ncn1 ZINC000180571260 644507825 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XULQKOOCVIGKKL-CVEARBPZSA-N 1 0 375.531 2.167 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000544552060 650944340 /nfs/dbraw/zinc/94/43/40/650944340.db2.gz CEYLVFVJOPZOLN-ZDUSSCGKSA-N 1 0 392.301 2.492 20 0 GEADRO CCOCCOc1ccc(Br)cc1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000545148916 650962881 /nfs/dbraw/zinc/96/28/81/650962881.db2.gz WJUPTTDIOYJIKK-KRWDZBQOSA-N 1 0 387.318 2.021 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cnc1Br ZINC000182718545 644969210 /nfs/dbraw/zinc/96/92/10/644969210.db2.gz YPLDBCQBUSUHGD-WCQYABFASA-N 1 0 397.317 2.328 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000545330961 650969762 /nfs/dbraw/zinc/96/97/62/650969762.db2.gz UTOKYLNJBUHTLT-UHFFFAOYSA-N 1 0 398.301 2.456 20 0 GEADRO C[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000184617340 645023212 /nfs/dbraw/zinc/02/32/12/645023212.db2.gz BMKYYSPUUOLMEK-UHFFFAOYSA-N 1 0 382.917 2.382 20 0 GEADRO Nc1cc(Br)ccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000185267969 645041195 /nfs/dbraw/zinc/04/11/95/645041195.db2.gz SFSCCPGWUOZVHS-GFCCVEGCSA-N 1 0 382.302 2.262 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)C1 ZINC000185863422 645055396 /nfs/dbraw/zinc/05/53/96/645055396.db2.gz JPZNDSXPXJDMTF-GFCCVEGCSA-N 1 0 391.331 2.420 20 0 GEADRO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(Br)n1 ZINC000186719932 645072543 /nfs/dbraw/zinc/07/25/43/645072543.db2.gz HBSOJPTZNGBUQR-LBPRGKRZSA-N 1 0 385.306 2.461 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187042604 645080348 /nfs/dbraw/zinc/08/03/48/645080348.db2.gz ZFINEXHNEWZMKI-CQSZACIVSA-N 1 0 384.318 2.402 20 0 GEADRO O[C@@H](CN1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000187132278 645083554 /nfs/dbraw/zinc/08/35/54/645083554.db2.gz QLTHKZHLGUYTFH-DYVFJYSZSA-N 1 0 387.293 2.276 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187304744 645087787 /nfs/dbraw/zinc/08/77/87/645087787.db2.gz LSWZQMPMMIOYDO-AWEZNQCLSA-N 1 0 384.318 2.402 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1CCS(=O)(=O)CC1 ZINC000187487152 645091518 /nfs/dbraw/zinc/09/15/18/645091518.db2.gz BMZJZPLYZLJTCD-MEDUHNTESA-N 1 0 388.892 2.387 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)Cc2ccc(F)cc2Br)CC1 ZINC000188053097 645105429 /nfs/dbraw/zinc/10/54/29/645105429.db2.gz VMTVSQNNXZGPER-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000188759295 645124498 /nfs/dbraw/zinc/12/44/98/645124498.db2.gz KNVYUDFYFHRGOE-IAQYHMDHSA-N 1 0 375.296 2.330 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000545863252 650982351 /nfs/dbraw/zinc/98/23/51/650982351.db2.gz ZQFBKKHTJJBDLK-ZDUSSCGKSA-N 1 0 381.192 2.264 20 0 GEADRO C[C@H](O)C[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000189857290 645144484 /nfs/dbraw/zinc/14/44/84/645144484.db2.gz OFVHKLFJQGYKKJ-AWEZNQCLSA-N 1 0 379.302 2.133 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000190310803 645151511 /nfs/dbraw/zinc/15/15/11/645151511.db2.gz KFSGWRDSQYNOSI-CQSZACIVSA-N 1 0 388.555 2.489 20 0 GEADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000191990975 645188542 /nfs/dbraw/zinc/18/85/42/645188542.db2.gz VXIGXGKNTZNXDR-UHFFFAOYSA-N 1 0 390.228 2.218 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ncc(Br)s1 ZINC000192435308 645206396 /nfs/dbraw/zinc/20/63/96/645206396.db2.gz ULBRDQJZNPTVCX-VXGBXAGGSA-N 1 0 388.331 2.403 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)C[C@H]2C1 ZINC000192484566 645209520 /nfs/dbraw/zinc/20/95/20/645209520.db2.gz VGDGPEHSFAPLSW-TXEJJXNPSA-N 1 0 393.260 2.408 20 0 GEADRO C[C@]([NH3+])(C(=O)NC[C@H](O)COc1ccccc1Br)c1ccccc1 ZINC000192500516 645210139 /nfs/dbraw/zinc/21/01/39/645210139.db2.gz CKMGYMDRRVJVTE-KBXCAEBGSA-N 1 0 393.281 2.179 20 0 GEADRO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192683038 645220871 /nfs/dbraw/zinc/22/08/71/645220871.db2.gz QIQKIESTIZCNFV-QGZVFWFLSA-N 1 0 396.285 2.064 20 0 GEADRO C[NH+](C)CCCN(C(=O)/C=C/Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000192749069 645223383 /nfs/dbraw/zinc/22/33/83/645223383.db2.gz PDWXWXBPOXQEEO-WQMJKPAKSA-N 1 0 382.551 2.260 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)ncc1Br ZINC000192844509 645225506 /nfs/dbraw/zinc/22/55/06/645225506.db2.gz CQYRXXHILGYKRK-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO C[NH+](C)CC1(CNC(=O)CCn2cc(Br)ccc2=O)CCCC1 ZINC000546078407 650990928 /nfs/dbraw/zinc/99/09/28/650990928.db2.gz OUHDNFZOKXFUEF-UHFFFAOYSA-N 1 0 384.318 2.239 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(Cl)c3)C[C@@H]2C1 ZINC000192919465 645230207 /nfs/dbraw/zinc/23/02/07/645230207.db2.gz SYLLVABWBCJTAF-AOOOYVTPSA-N 1 0 379.707 2.285 20 0 GEADRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000192933595 645232621 /nfs/dbraw/zinc/23/26/21/645232621.db2.gz BCEAORFLUBXNQR-CQSZACIVSA-N 1 0 384.527 2.199 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000192942789 645233352 /nfs/dbraw/zinc/23/33/52/645233352.db2.gz FLNBIUDMNMWHTE-UHFFFAOYSA-N 1 0 379.320 2.420 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193084261 645239407 /nfs/dbraw/zinc/23/94/07/645239407.db2.gz CKXVMYZIRGLIBA-NWDGAFQWSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193091531 645240219 /nfs/dbraw/zinc/24/02/19/645240219.db2.gz QTAZXLCFYSJJHW-FRRDWIJNSA-N 1 0 397.317 2.265 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000193100883 645241326 /nfs/dbraw/zinc/24/13/26/645241326.db2.gz WZYHAAIAWXFMRO-UHFFFAOYSA-N 1 0 399.866 2.275 20 0 GEADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(OC)c(OC)cc1F)[NH+](C)C ZINC000193098889 645241415 /nfs/dbraw/zinc/24/14/15/645241415.db2.gz WUJAYFDHIGKWCD-CQSZACIVSA-N 1 0 376.494 2.488 20 0 GEADRO O=C1c2cc(Br)ccc2S(=O)(=O)N1CCC[NH+]1CCCCC1 ZINC000193107255 645242495 /nfs/dbraw/zinc/24/24/95/645242495.db2.gz OGHCTKSQNSJEPR-UHFFFAOYSA-N 1 0 387.299 2.470 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(O)(c3ccccc3Cl)CC2)C1 ZINC000193155433 645246041 /nfs/dbraw/zinc/24/60/41/645246041.db2.gz SVEMDMJTJAJJIV-HNNXBMFYSA-N 1 0 386.945 2.295 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000193285978 645261403 /nfs/dbraw/zinc/26/14/03/645261403.db2.gz OAKCKNCVOPGODV-VHSXEESVSA-N 1 0 395.294 2.345 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000193285609 645261518 /nfs/dbraw/zinc/26/15/18/645261518.db2.gz PKMNEPNUFYGKNW-GHMZBOCLSA-N 1 0 377.304 2.206 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000193293512 645263621 /nfs/dbraw/zinc/26/36/21/645263621.db2.gz MTGXXVDCGSTVGV-JOYOIKCWSA-N 1 0 395.294 2.393 20 0 GEADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000193300019 645264056 /nfs/dbraw/zinc/26/40/56/645264056.db2.gz MIVRAANEJQWDNK-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000193303487 645264684 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COC(=O)c1cc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c(Cl)cc1Cl ZINC000193373920 645268818 /nfs/dbraw/zinc/26/88/18/645268818.db2.gz LLFDKCHVGLEIPQ-UHFFFAOYSA-N 1 0 395.308 2.448 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)ccc1Cl ZINC000193432724 645272755 /nfs/dbraw/zinc/27/27/55/645272755.db2.gz KNYAMWMMIXZNDZ-UHFFFAOYSA-N 1 0 380.853 2.208 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000193566687 645284597 /nfs/dbraw/zinc/28/45/97/645284597.db2.gz LVSCLLOBAGRLPL-BLLLJJGKSA-N 1 0 387.933 2.241 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1Br ZINC000193574937 645285156 /nfs/dbraw/zinc/28/51/56/645285156.db2.gz VCGLDUYNRYBQCL-OCCSQVGLSA-N 1 0 395.301 2.034 20 0 GEADRO O=C(Cc1cccc(Cl)c1Cl)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000194031520 645309136 /nfs/dbraw/zinc/30/91/36/645309136.db2.gz VHMBZHAWIQMVOI-UHFFFAOYSA-N 1 0 384.307 2.303 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000194058522 645310336 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Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000195329286 645371454 /nfs/dbraw/zinc/37/14/54/645371454.db2.gz VKWCUIBCQIXKSN-CYBMUJFWSA-N 1 0 382.452 2.025 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000195389681 645375481 /nfs/dbraw/zinc/37/54/81/645375481.db2.gz YBESEXOMNYGXQG-UHFFFAOYSA-N 1 0 385.917 2.316 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209474841 645384092 /nfs/dbraw/zinc/38/40/92/645384092.db2.gz GDMOTIHXEVBWMV-KCJUWKMLSA-N 1 0 395.706 2.094 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1Br ZINC000226353521 645390592 /nfs/dbraw/zinc/39/05/92/645390592.db2.gz FLXNMQNECGOADY-STQMWFEESA-N 1 0 377.279 2.493 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(I)c(O)c1 ZINC000230420668 645398452 /nfs/dbraw/zinc/39/84/52/645398452.db2.gz ZPPULWHSHDBYTR-UHFFFAOYSA-N 1 0 376.238 2.411 20 0 GEADRO CNC(=O)C(C)(C)C[NH2+]Cc1ncc(Br)cc1Br ZINC000230557629 645399206 /nfs/dbraw/zinc/39/92/06/645399206.db2.gz RKMGWBNNSYIIHA-UHFFFAOYSA-N 1 0 379.096 2.468 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(I)c(O)c1 ZINC000230886908 645400321 /nfs/dbraw/zinc/40/03/21/645400321.db2.gz GKZUMBBVCIDOIO-UHFFFAOYSA-N 1 0 376.238 2.314 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC000230886915 645400617 /nfs/dbraw/zinc/40/06/17/645400617.db2.gz MZWZMTBRGSUGSR-UHFFFAOYSA-N 1 0 388.249 2.411 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000233777921 645405865 /nfs/dbraw/zinc/40/58/65/645405865.db2.gz PIEZVWZCAUPLJI-PWSUYJOCSA-N 1 0 377.304 2.267 20 0 GEADRO C[C@H]1CCN(C(=O)c2ccc(F)cc2I)C[C@H]1C[NH3+] ZINC000235656011 645409684 /nfs/dbraw/zinc/40/96/84/645409684.db2.gz YIPNVAZPLYUGKF-VHSXEESVSA-N 1 0 376.213 2.487 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236570856 645411700 /nfs/dbraw/zinc/41/17/00/645411700.db2.gz DQBILEYSXOJSII-ZFWWWQNUSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000236571042 645411892 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CN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)C1CC[NH2+]CC1 ZINC000237099307 645422614 /nfs/dbraw/zinc/42/26/14/645422614.db2.gz VUMNAYONECIYKS-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000237131800 645423872 /nfs/dbraw/zinc/42/38/72/645423872.db2.gz ZPVGUCHSIPDXNZ-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237140992 645424967 /nfs/dbraw/zinc/42/49/67/645424967.db2.gz ACLHWZUSSSQZGC-GXTWGEPZSA-N 1 0 382.302 2.041 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000237177972 645426081 /nfs/dbraw/zinc/42/60/81/645426081.db2.gz GXKQEBPQHQLFRH-ZDUSSCGKSA-N 1 0 387.571 2.335 20 0 GEADRO C[NH2+]CC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000237190334 645426099 /nfs/dbraw/zinc/42/60/99/645426099.db2.gz TUJPFDULERWBPK-CYBMUJFWSA-N 1 0 379.258 2.306 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237189717 645426249 /nfs/dbraw/zinc/42/62/49/645426249.db2.gz XLZWVKJALYSKBY-NSHDSACASA-N 1 0 394.640 2.420 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237186074 645426284 /nfs/dbraw/zinc/42/62/84/645426284.db2.gz RBTTYFSJHWOYGQ-UHFFFAOYSA-N 1 0 384.303 2.299 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C3CC[NH2+]CC3)n2)cc1 ZINC000237413590 645431135 /nfs/dbraw/zinc/43/11/35/645431135.db2.gz GALIQZSMNNULAW-UHFFFAOYSA-N 1 0 380.495 2.120 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000237409624 645431218 /nfs/dbraw/zinc/43/12/18/645431218.db2.gz OMBRVFUEZXTHEP-JSGCOSHPSA-N 1 0 382.302 2.155 20 0 GEADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000237432308 645431860 /nfs/dbraw/zinc/43/18/60/645431860.db2.gz HQMFXUUIFLWQBT-FZMZJTMJSA-N 1 0 381.523 2.058 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)c1cc(Br)ccc1I ZINC000237455362 645432651 /nfs/dbraw/zinc/43/26/51/645432651.db2.gz DYDWIPYHRIVKDY-ZETCQYMHSA-N 1 0 397.054 2.473 20 0 GEADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc(Br)cc1Br ZINC000237490358 645433825 /nfs/dbraw/zinc/43/38/25/645433825.db2.gz MMRLQUGEXHLNOW-ZETCQYMHSA-N 1 0 386.109 2.179 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000237516777 645435166 /nfs/dbraw/zinc/43/51/66/645435166.db2.gz BACYIDNKRMVJHW-CYBMUJFWSA-N 1 0 376.448 2.266 20 0 GEADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000237591717 645437544 /nfs/dbraw/zinc/43/75/44/645437544.db2.gz JYESKARUJNOAQZ-RYUDHWBXSA-N 1 0 388.295 2.074 20 0 GEADRO Cn1c(C(=O)NCCN2CC[NH2+]CC2)ccc1-c1ccccc1Br ZINC000237716747 645439844 /nfs/dbraw/zinc/43/98/44/645439844.db2.gz MAIJYNKKYKHLJL-UHFFFAOYSA-N 1 0 391.313 2.090 20 0 GEADRO [NH3+]C1(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CCCCC1 ZINC000237769582 645440359 /nfs/dbraw/zinc/44/03/59/645440359.db2.gz RJEBKBXPAKSCHH-UHFFFAOYSA-N 1 0 385.555 2.314 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1c[nH]c2nccc(Cl)c12 ZINC000237789510 645441308 /nfs/dbraw/zinc/44/13/08/645441308.db2.gz LUCJDIHGHXAYAY-UHFFFAOYSA-N 1 0 379.873 2.070 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N3CCC(C[NH3+])CC3)CC2=O)ccc1Br ZINC000237789548 645441320 /nfs/dbraw/zinc/44/13/20/645441320.db2.gz LHVBVNLBGDNZBX-AWEZNQCLSA-N 1 0 394.313 2.308 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)[C@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000237804928 645442590 /nfs/dbraw/zinc/44/25/90/645442590.db2.gz SAYHWVNJOLEJCA-CYBMUJFWSA-N 1 0 380.286 2.202 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)[C@@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000237804749 645442688 /nfs/dbraw/zinc/44/26/88/645442688.db2.gz SAYHWVNJOLEJCA-ZDUSSCGKSA-N 1 0 380.286 2.202 20 0 GEADRO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000237804889 645442694 /nfs/dbraw/zinc/44/26/94/645442694.db2.gz PLSCOMWKHWKGBB-GFCCVEGCSA-N 1 0 378.274 2.068 20 0 GEADRO O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)nc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000237813207 645443471 /nfs/dbraw/zinc/44/34/71/645443471.db2.gz IKBBGUFRRSTBTJ-DGCLKSJQSA-N 1 0 385.295 2.109 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)COc2ccc(Br)cc2F)CC1 ZINC000237819650 645444151 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GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCCC(=O)N1 ZINC000270340554 646104457 /nfs/dbraw/zinc/10/44/57/646104457.db2.gz KXAQGRZZCDIJEY-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO CCS(=O)(=O)c1ccc2oc(CN3C[C@@H]([NH+](C)C)[C@@H](SC)C3)nc2c1 ZINC000270621512 646126781 /nfs/dbraw/zinc/12/67/81/646126781.db2.gz DJXDYVOQTJMARS-ZBFHGGJFSA-N 1 0 383.539 2.099 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc(CSc3nc[nH]n3)cc2)C[C@@H]1[NH+](C)C ZINC000270750010 646134697 /nfs/dbraw/zinc/13/46/97/646134697.db2.gz MNRAQLHJLIVLFK-LSDHHAIUSA-N 1 0 377.539 2.215 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000270879867 646146240 /nfs/dbraw/zinc/14/62/40/646146240.db2.gz NVDBYCHZRHWJSS-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO C[NH+]1CCC(N(CCO)Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000271012225 646165912 /nfs/dbraw/zinc/16/59/12/646165912.db2.gz QCAHOPPIUNDNLK-UHFFFAOYSA-N 1 0 384.311 2.463 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000271013673 646166149 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GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000417363194 648240552 /nfs/dbraw/zinc/24/05/52/648240552.db2.gz FQEMIWJXDBKIKD-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCC([NH3+])CC1 ZINC000417364610 648241125 /nfs/dbraw/zinc/24/11/25/648241125.db2.gz HRKDKTIBXVRSHP-UHFFFAOYSA-N 1 0 383.290 2.219 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417372360 648241646 /nfs/dbraw/zinc/24/16/46/648241646.db2.gz WXUPAUVLAYJUSY-INIZCTEOSA-N 1 0 395.345 2.255 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000417372639 648241658 /nfs/dbraw/zinc/24/16/58/648241658.db2.gz ZLJBLYRGNKCQGQ-LLVKDONJSA-N 1 0 385.306 2.241 20 0 GEADRO C[C@H]1CN(C(=O)NCCc2ccc(I)s2)CC[C@@H]1[NH3+] ZINC000417434697 648244823 /nfs/dbraw/zinc/24/48/23/648244823.db2.gz AERURDGIUXDFIO-ONGXEEELSA-N 1 0 393.294 2.274 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NCCc1ccc(I)s1 ZINC000417436571 648245515 /nfs/dbraw/zinc/24/55/15/648245515.db2.gz 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[NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C(F)F ZINC000417478028 648248230 /nfs/dbraw/zinc/24/82/30/648248230.db2.gz HSONAPIDAROHPX-AAEUAGOBSA-N 1 0 391.260 2.310 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417483612 648249485 /nfs/dbraw/zinc/24/94/85/648249485.db2.gz SIVJLPMUQGGXJA-YJBOKZPZSA-N 1 0 393.329 2.423 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417486024 648249827 /nfs/dbraw/zinc/24/98/27/648249827.db2.gz XQSNPBZABYOXAF-GZBFAFLISA-N 1 0 381.318 2.407 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417486027 648249890 /nfs/dbraw/zinc/24/98/90/648249890.db2.gz XQSNPBZABYOXAF-YDHLFZDLSA-N 1 0 381.318 2.407 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417494421 648250408 /nfs/dbraw/zinc/25/04/08/648250408.db2.gz XVBXTCSDCAJDKQ-SWLSCSKDSA-N 1 0 397.317 2.383 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417495184 648250591 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2.161 20 0 GEADRO C[C@H]1CN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[C@H]1[NH3+] ZINC000417742274 648260955 /nfs/dbraw/zinc/26/09/55/648260955.db2.gz ZYWWHWKNMCZOSQ-GXFFZTMASA-N 1 0 393.289 2.113 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417738284 648261002 /nfs/dbraw/zinc/26/10/02/648261002.db2.gz OROAXNVDHOSRCQ-SKDRFNHKSA-N 1 0 380.798 2.430 20 0 GEADRO C[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)Oc1cccc(Br)c1 ZINC000417799092 648262361 /nfs/dbraw/zinc/26/23/61/648262361.db2.gz RWZNHWNZXHRRLG-BXKDBHETSA-N 1 0 380.233 2.498 20 0 GEADRO CCS[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417824975 648262940 /nfs/dbraw/zinc/26/29/40/648262940.db2.gz ASKJEQSOUUAKGP-BFHYXJOUSA-N 1 0 382.496 2.186 20 0 GEADRO COCC[N@H+](C)CCCNCc1ccc(F)cc1I ZINC000417873626 648263932 /nfs/dbraw/zinc/26/39/32/648263932.db2.gz OCCJEIGQUDSLQX-UHFFFAOYSA-N 1 0 380.245 2.488 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417871456 648263975 /nfs/dbraw/zinc/26/39/75/648263975.db2.gz JRFLUHTUEOXYHP-ONGXEEELSA-N 1 0 379.814 2.369 20 0 GEADRO CC(C)(C[NH3+])NC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417881288 648264028 /nfs/dbraw/zinc/26/40/28/648264028.db2.gz TUKUCFORBSEWGI-JTQLQIEISA-N 1 0 379.814 2.369 20 0 GEADRO CC[NH2+]CCNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417893403 648265058 /nfs/dbraw/zinc/26/50/58/648265058.db2.gz RVJQVCOYSMFIAW-UHFFFAOYSA-N 1 0 383.334 2.322 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(F)cc1I)COCC1CC1 ZINC000417903118 648266169 /nfs/dbraw/zinc/26/61/69/648266169.db2.gz QTSLZURNVYECNQ-CYBMUJFWSA-N 1 0 379.213 2.307 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)F ZINC000418016030 648269901 /nfs/dbraw/zinc/26/99/01/648269901.db2.gz ZMLXVDAVLMLPDP-NEPJUHHUSA-N 1 0 395.237 2.380 20 0 GEADRO CO[C@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)[C@H](C[NH3+])C1 ZINC000418015544 648270014 /nfs/dbraw/zinc/27/00/14/648270014.db2.gz PYNLZBNIYYNRQH-GJZGRUSLSA-N 1 0 398.301 2.032 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCC[C@H]([NH3+])C3)nc12 ZINC000418018914 648270980 /nfs/dbraw/zinc/27/09/80/648270980.db2.gz JPBFXZCHXHKTNP-STQMWFEESA-N 1 0 380.290 2.474 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)nc12 ZINC000418027882 648272354 /nfs/dbraw/zinc/27/23/54/648272354.db2.gz XSELFYHNIZVHEK-FZMZJTMJSA-N 1 0 380.290 2.079 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(F)cc2I)[C@@H](C)C1 ZINC000418036909 648272896 /nfs/dbraw/zinc/27/28/96/648272896.db2.gz WXPASIOMPZTKAX-NWDGAFQWSA-N 1 0 392.256 2.317 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418047767 648273663 /nfs/dbraw/zinc/27/36/63/648273663.db2.gz QXVICMOKNZPFHM-GJZGRUSLSA-N 1 0 386.265 2.327 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418047969 648273767 /nfs/dbraw/zinc/27/37/67/648273767.db2.gz QXVICMOKNZPFHM-LSDHHAIUSA-N 1 0 386.265 2.327 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CCO1 ZINC000418047214 648273787 /nfs/dbraw/zinc/27/37/87/648273787.db2.gz QBEMMASRKPRAKB-LSDHHAIUSA-N 1 0 386.265 2.408 20 0 GEADRO CCn1c(CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)nc2cc(Br)ccc21 ZINC000418061773 648274205 /nfs/dbraw/zinc/27/42/05/648274205.db2.gz FQBPSWPHMPURKO-JQWIXIFHSA-N 1 0 380.290 2.450 20 0 GEADRO CCn1c(CNC(=O)NCC2([NH3+])CCC2)nc2cc(Br)ccc21 ZINC000418070016 648275030 /nfs/dbraw/zinc/27/50/30/648275030.db2.gz SWFOJYFLDWSGKF-UHFFFAOYSA-N 1 0 380.290 2.499 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000418072172 648275062 /nfs/dbraw/zinc/27/50/62/648275062.db2.gz KDISRZLWQSNEBK-HNNXBMFYSA-N 1 0 387.933 2.321 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418074840 648275569 /nfs/dbraw/zinc/27/55/69/648275569.db2.gz DHEIDDUIIGDFCW-RISCZKNCSA-N 1 0 385.295 2.479 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418082238 648276437 /nfs/dbraw/zinc/27/64/37/648276437.db2.gz POJMXMSHHWBKEQ-LERXQTSPSA-N 1 0 385.295 2.396 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCCO1 ZINC000418084807 648276801 /nfs/dbraw/zinc/27/68/01/648276801.db2.gz WKCDUUNSACQSHJ-ZIAGYGMSSA-N 1 0 387.311 2.331 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418087547 648277447 /nfs/dbraw/zinc/27/74/47/648277447.db2.gz HLUXKLKIZSXGJP-VNHYZAJKSA-N 1 0 395.301 2.124 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418093021 648278766 /nfs/dbraw/zinc/27/87/66/648278766.db2.gz SGVAIEBHBMXCJH-MLGOLLRUSA-N 1 0 392.301 2.432 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418099341 648279591 /nfs/dbraw/zinc/27/95/91/648279591.db2.gz NDBNEICLDOFAPS-GJZGRUSLSA-N 1 0 381.318 2.421 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418102083 648280026 /nfs/dbraw/zinc/28/00/26/648280026.db2.gz RGXCBKVRIHLEJM-GDBMZVCRSA-N 1 0 381.318 2.421 20 0 GEADRO OC[C@@H]([NH2+]Cc1ccc(F)cc1I)[C@@H]1CCCOC1 ZINC000418106432 648280328 /nfs/dbraw/zinc/28/03/28/648280328.db2.gz XGJVSIZAWVHHRG-BXUZGUMPSA-N 1 0 379.213 2.307 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CSc2ccc(Br)cc21 ZINC000418106580 648280399 /nfs/dbraw/zinc/28/03/99/648280399.db2.gz XUUWPTFABZLHIH-AWEZNQCLSA-N 1 0 399.358 2.190 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418106404 648280521 /nfs/dbraw/zinc/28/05/21/648280521.db2.gz XFDAVYRKMPLXPJ-LXZKKBNFSA-N 1 0 393.329 2.421 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418107994 648280806 /nfs/dbraw/zinc/28/08/06/648280806.db2.gz QKGQMVITAYMUQQ-LSDHHAIUSA-N 1 0 398.349 2.457 20 0 GEADRO CN(C(=O)NCCCCn1cc(Br)cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418107644 648280961 /nfs/dbraw/zinc/28/09/61/648280961.db2.gz PMSDGNIGVSCRLM-YIONKMFJSA-N 1 0 384.322 2.350 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418107362 648281080 /nfs/dbraw/zinc/28/10/80/648281080.db2.gz ZCXWOLPDHZOETK-XPKDYRNWSA-N 1 0 381.318 2.325 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418112222 648281396 /nfs/dbraw/zinc/28/13/96/648281396.db2.gz BETHCFAQTXCNJX-YNEHKIRRSA-N 1 0 399.358 2.056 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCCCn3cc(Br)cn3)C[C@H]21 ZINC000418110542 648281564 /nfs/dbraw/zinc/28/15/64/648281564.db2.gz WJWMKCGAQOLLQJ-BPLDGKMQSA-N 1 0 384.322 2.195 20 0 GEADRO C[NH2+]CCCNC(=O)NCc1ccc(I)cc1Cl ZINC000418117655 648282042 /nfs/dbraw/zinc/28/20/42/648282042.db2.gz CPRYYGUPCXWUQY-UHFFFAOYSA-N 1 0 381.645 2.353 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)NCc2ccc(I)cc2Cl)C1 ZINC000418120381 648282354 /nfs/dbraw/zinc/28/23/54/648282354.db2.gz HMUAXVRNBJOGHM-SECBINFHSA-N 1 0 393.656 2.435 20 0 GEADRO O=C(NCc1ccc(I)cc1Cl)N[C@H]1CC[NH2+]C1 ZINC000418129391 648283314 /nfs/dbraw/zinc/28/33/14/648283314.db2.gz UOWRLTDVGAEVRZ-JTQLQIEISA-N 1 0 379.629 2.106 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1I ZINC000418143100 648284669 /nfs/dbraw/zinc/28/46/69/648284669.db2.gz OTRMETIJFIBQAZ-OCCSQVGLSA-N 1 0 385.249 2.103 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1I ZINC000418145616 648284995 /nfs/dbraw/zinc/28/49/95/648284995.db2.gz YKQSXLLRDVDWTL-SMDDNHRTSA-N 1 0 387.265 2.478 20 0 GEADRO Cc1cc(CNC(=O)NCC[C@H]2CC[NH2+]C2)ccc1I ZINC000418144699 648285178 /nfs/dbraw/zinc/28/51/78/648285178.db2.gz UTUBYNQJMRONKA-GFCCVEGCSA-N 1 0 387.265 2.398 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000418150447 648285583 /nfs/dbraw/zinc/28/55/83/648285583.db2.gz FSQDPMSKAWAHEG-QMMMGPOBSA-N 1 0 381.645 2.433 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccc(I)c(Cl)c2)CC[NH2+]1 ZINC000418160087 648285999 /nfs/dbraw/zinc/28/59/99/648285999.db2.gz PBGVADLOEAMHHS-SECBINFHSA-N 1 0 393.656 2.448 20 0 GEADRO COCC[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000418174280 648286692 /nfs/dbraw/zinc/28/66/92/648286692.db2.gz UEWHYYZJFRNLFH-DOMZBBRYSA-N 1 0 376.284 2.359 20 0 GEADRO [NH3+]CCCN(Cc1ccccc1)C(=O)NCCn1cc(Br)cn1 ZINC000418174590 648286712 /nfs/dbraw/zinc/28/67/12/648286712.db2.gz DPSWPUUHZIRXTC-UHFFFAOYSA-N 1 0 380.290 2.206 20 0 GEADRO C[C@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1F ZINC000418184538 648287232 /nfs/dbraw/zinc/28/72/32/648287232.db2.gz NSNPVINPGYAJRR-GXTWGEPZSA-N 1 0 399.308 2.338 20 0 GEADRO COc1ccc(CCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(Cl)c1OC ZINC000418220106 648287841 /nfs/dbraw/zinc/28/78/41/648287841.db2.gz GSOHBVABPNOSAW-GFCCVEGCSA-N 1 0 377.819 2.196 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2Cl)CCCO1 ZINC000418226764 648288128 /nfs/dbraw/zinc/28/81/28/648288128.db2.gz BGJFFKKTFBAKAK-CYBMUJFWSA-N 1 0 390.709 2.404 20 0 GEADRO C[C@]1(CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000418228950 648288408 /nfs/dbraw/zinc/28/84/08/648288408.db2.gz FYOQBKQUSBBTGB-KRWDZBQOSA-N 1 0 387.933 2.193 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418229684 648288458 /nfs/dbraw/zinc/28/84/58/648288458.db2.gz HZSXSIICRVPYLY-CYBMUJFWSA-N 1 0 375.922 2.321 20 0 GEADRO C[C@H]1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000418236192 648289321 /nfs/dbraw/zinc/28/93/21/648289321.db2.gz ULPHGRLSQHMGJI-KBPBESRZSA-N 1 0 387.933 2.130 20 0 GEADRO CCCN(C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000418234692 648289460 /nfs/dbraw/zinc/28/94/60/648289460.db2.gz QNJCAEQMGMLASQ-HNNXBMFYSA-N 1 0 387.933 2.287 20 0 GEADRO O=C(NC/C=C/c1ccc(Br)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000418255900 648290196 /nfs/dbraw/zinc/29/01/96/648290196.db2.gz CVHQXIMXAGERMQ-IMLGJKEDSA-N 1 0 393.329 2.151 20 0 GEADRO C[C@@H](CN(C)C(=O)NCCN1CC[NH2+]CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000418299087 648291592 /nfs/dbraw/zinc/29/15/92/648291592.db2.gz NJRKKHAGFHGUTB-ZDUSSCGKSA-N 1 0 389.327 2.307 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)N(CCO)Cc1cc(Br)ccc1F ZINC000418324076 648293016 /nfs/dbraw/zinc/29/30/16/648293016.db2.gz VQUUJKSEXSKAOF-GFCCVEGCSA-N 1 0 388.281 2.092 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418345612 648294248 /nfs/dbraw/zinc/29/42/48/648294248.db2.gz LMUNSNILYQIAPF-GOEBONIOSA-N 1 0 398.345 2.289 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000418362906 648294806 /nfs/dbraw/zinc/29/48/06/648294806.db2.gz BKNHCRYJBRLZEQ-GFCCVEGCSA-N 1 0 387.311 2.316 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418364210 648294961 /nfs/dbraw/zinc/29/49/61/648294961.db2.gz NOQQCKDGOCJSPF-AWEZNQCLSA-N 1 0 383.334 2.132 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000418404475 648297108 /nfs/dbraw/zinc/29/71/08/648297108.db2.gz CLPUNGKESKZALE-RISCZKNCSA-N 1 0 383.290 2.204 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000418478549 648297431 /nfs/dbraw/zinc/29/74/31/648297431.db2.gz ZIOKTDXIRFRCBT-LSDHHAIUSA-N 1 0 397.317 2.149 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418478500 648297528 /nfs/dbraw/zinc/29/75/28/648297528.db2.gz ZDLFBQOLWCZLIS-GDBMZVCRSA-N 1 0 386.334 2.417 20 0 GEADRO [NH3+][C@@H](CNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000418497457 648298189 /nfs/dbraw/zinc/29/81/89/648298189.db2.gz KCVFCDLERPCQDQ-HNNXBMFYSA-N 1 0 385.295 2.198 20 0 GEADRO CCC[NH2+]CCNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418491042 648298205 /nfs/dbraw/zinc/29/82/05/648298205.db2.gz QRZITDIMQFKUBS-LBPRGKRZSA-N 1 0 390.297 2.038 20 0 GEADRO [NH3+][C@@H](CNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)C1CC1 ZINC000418503559 648298844 /nfs/dbraw/zinc/29/88/44/648298844.db2.gz YEYXMHAXEXKSKU-INIZCTEOSA-N 1 0 399.308 2.153 20 0 GEADRO COCC[NH2+]CCNC(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000418506201 648299130 /nfs/dbraw/zinc/29/91/30/648299130.db2.gz HPGCTHPQIXGVLU-UHFFFAOYSA-N 1 0 378.698 2.480 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000418515898 648299598 /nfs/dbraw/zinc/29/95/98/648299598.db2.gz ZAXUZGDAKHDWQJ-MRXNPFEDSA-N 1 0 399.333 2.271 20 0 GEADRO CC1(CNC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000418525709 648299865 /nfs/dbraw/zinc/29/98/65/648299865.db2.gz YIUKRVYEOUTOOL-HNNXBMFYSA-N 1 0 398.345 2.289 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCC1 ZINC000418531467 648300626 /nfs/dbraw/zinc/30/06/26/648300626.db2.gz XGVUMMCFNSKOGC-UHFFFAOYSA-N 1 0 385.295 2.342 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418538680 648300839 /nfs/dbraw/zinc/30/08/39/648300839.db2.gz DXSVWBPFQIXZGE-LBPRGKRZSA-N 1 0 384.278 2.188 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)N(CCO)Cc1cc(Br)ccc1F ZINC000418547425 648301291 /nfs/dbraw/zinc/30/12/91/648301291.db2.gz YHPGVEFEPPWTHI-UHFFFAOYSA-N 1 0 386.265 2.012 20 0 GEADRO C[C@]1(CNC(=O)NCC(=O)Nc2cccc(Br)c2)CCC[NH2+]C1 ZINC000418561874 648301760 /nfs/dbraw/zinc/30/17/60/648301760.db2.gz ZPLJNVSKDFLPQW-INIZCTEOSA-N 1 0 383.290 2.077 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418573239 648302344 /nfs/dbraw/zinc/30/23/44/648302344.db2.gz ZXHWMLQZCZNVSF-GFCCVEGCSA-N 1 0 387.297 2.153 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000418584968 648303033 /nfs/dbraw/zinc/30/30/33/648303033.db2.gz XYMDDPLWMWEMDD-JLJPHGGASA-N 1 0 398.345 2.206 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000418588786 648303146 /nfs/dbraw/zinc/30/31/46/648303146.db2.gz ABNYJUAIDPZKOU-BXUZGUMPSA-N 1 0 388.281 2.233 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000418591663 648303591 /nfs/dbraw/zinc/30/35/91/648303591.db2.gz NKPJNTYKJUOJPW-GFCCVEGCSA-N 1 0 387.311 2.459 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000418590311 648303595 /nfs/dbraw/zinc/30/35/95/648303595.db2.gz KNRLSTOEUZPTEK-GFCCVEGCSA-N 1 0 387.311 2.459 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@H]1c1ccsc1 ZINC000418605945 648304458 /nfs/dbraw/zinc/30/44/58/648304458.db2.gz AYZKWMKYQNAREG-KBPBESRZSA-N 1 0 376.448 2.431 20 0 GEADRO [NH3+]C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)C1CCCC1 ZINC000418609655 648304797 /nfs/dbraw/zinc/30/47/97/648304797.db2.gz CMNKAOATCVZRJV-YOEHRIQHSA-N 1 0 398.345 2.417 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000418671652 648306920 /nfs/dbraw/zinc/30/69/20/648306920.db2.gz LHVHORJQENZNJU-DOMZBBRYSA-N 1 0 397.317 2.149 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418672356 648307018 /nfs/dbraw/zinc/30/70/18/648307018.db2.gz NFYADKWDCNWFAT-LJISPDSOSA-N 1 0 397.260 2.356 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418682404 648307190 /nfs/dbraw/zinc/30/71/90/648307190.db2.gz ZSKWCGDPRCXTHF-VZEFYGNVSA-N 1 0 393.329 2.055 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418689241 648307244 /nfs/dbraw/zinc/30/72/44/648307244.db2.gz FQVKOMOEAKEGCW-ZFWWWQNUSA-N 1 0 386.334 2.417 20 0 GEADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000418701541 648307720 /nfs/dbraw/zinc/30/77/20/648307720.db2.gz AJVGKBMZKRNLHI-ZFURPNQOSA-N 1 0 382.302 2.298 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000418718975 648308399 /nfs/dbraw/zinc/30/83/99/648308399.db2.gz KKGIUEKMNNXQHN-IJEWVQPXSA-N 1 0 398.345 2.417 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418766082 648310562 /nfs/dbraw/zinc/31/05/62/648310562.db2.gz MJWVNUFPXNMQOR-VXGBXAGGSA-N 1 0 385.306 2.428 20 0 GEADRO O=C(NCCc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418768637 648311365 /nfs/dbraw/zinc/31/13/65/648311365.db2.gz UHHVSNWNPOWVDY-MELADBBJSA-N 1 0 384.307 2.156 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)C[C@@H]12 ZINC000418812888 648313588 /nfs/dbraw/zinc/31/35/88/648313588.db2.gz CGXKPHHGJZCXER-YYFFNPIBSA-N 1 0 382.291 2.161 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418813811 648313593 /nfs/dbraw/zinc/31/35/93/648313593.db2.gz FAUBKLPYBGLQJF-JCKWVBRZSA-N 1 0 382.291 2.178 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000418820008 648313936 /nfs/dbraw/zinc/31/39/36/648313936.db2.gz RLORYWKMBCGWOM-DIOULYMOSA-N 1 0 384.307 2.424 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418821427 648314392 /nfs/dbraw/zinc/31/43/92/648314392.db2.gz VFNDKZJEFXUVPX-WKVXFZQGSA-N 1 0 382.291 2.365 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418838681 648315677 /nfs/dbraw/zinc/31/56/77/648315677.db2.gz VWRNUNJNEBOLDE-UONOGXRCSA-N 1 0 382.302 2.055 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418838937 648315873 /nfs/dbraw/zinc/31/58/73/648315873.db2.gz WAYBAKFOGCDMKO-QCEMKRCNSA-N 1 0 394.313 2.055 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418839862 648316281 /nfs/dbraw/zinc/31/62/81/648316281.db2.gz DFIAAXYHYBTCME-ZIAGYGMSSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000418864262 648319209 /nfs/dbraw/zinc/31/92/09/648319209.db2.gz KAVCXPRNLIUASZ-CHWSQXEVSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000418869143 648319965 /nfs/dbraw/zinc/31/99/65/648319965.db2.gz RMKVBYSTOCVAPY-KYOSRNDESA-N 1 0 382.302 2.260 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000418874275 648320232 /nfs/dbraw/zinc/32/02/32/648320232.db2.gz ZKOQESAJUUFVRJ-XKVFNRALSA-N 1 0 394.313 2.131 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000418872798 648320390 /nfs/dbraw/zinc/32/03/90/648320390.db2.gz WYSUBZAMVKUWRG-IUODEOHRSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)c1ccc(Br)cn1 ZINC000418874704 648320776 /nfs/dbraw/zinc/32/07/76/648320776.db2.gz ZURVMDJXHVICAZ-LBPRGKRZSA-N 1 0 397.317 2.189 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000418906088 648322526 /nfs/dbraw/zinc/32/25/26/648322526.db2.gz FIGBFFVRNVJAGD-UHFFFAOYSA-N 1 0 383.945 2.396 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000418937846 648322984 /nfs/dbraw/zinc/32/29/84/648322984.db2.gz GKGSJYRFGZGBLQ-GHJWDPDVSA-N 1 0 394.313 2.057 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc1Br ZINC000418981927 648326343 /nfs/dbraw/zinc/32/63/43/648326343.db2.gz AOECDCOAIOBIPX-HNNXBMFYSA-N 1 0 384.318 2.206 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1Br ZINC000418989499 648326806 /nfs/dbraw/zinc/32/68/06/648326806.db2.gz JZSYJSLFRJVPPX-IUODEOHRSA-N 1 0 382.302 2.102 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1Br ZINC000418989501 648326935 /nfs/dbraw/zinc/32/69/35/648326935.db2.gz JZSYJSLFRJVPPX-WFASDCNBSA-N 1 0 382.302 2.102 20 0 GEADRO Cc1cc(CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)ccc1Br ZINC000418994333 648326974 /nfs/dbraw/zinc/32/69/74/648326974.db2.gz QEDVYMGJKXDNIZ-HNNXBMFYSA-N 1 0 396.329 2.268 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419016505 648327608 /nfs/dbraw/zinc/32/76/08/648327608.db2.gz DMTHKBVNARFKRD-XJKCOSOUSA-N 1 0 396.329 2.001 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419016540 648327615 /nfs/dbraw/zinc/32/76/15/648327615.db2.gz DRTCJACUSICFDF-IOASZLSFSA-N 1 0 396.329 2.082 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419035498 648329093 /nfs/dbraw/zinc/32/90/93/648329093.db2.gz AAQNLQVZBRZPSZ-LBPRGKRZSA-N 1 0 377.819 2.191 20 0 GEADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419043540 648329514 /nfs/dbraw/zinc/32/95/14/648329514.db2.gz RMUXIJGSBBRZPG-JTQLQIEISA-N 1 0 394.686 2.010 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419045556 648329832 /nfs/dbraw/zinc/32/98/32/648329832.db2.gz WMIZMRHRNQIMKB-AWEZNQCLSA-N 1 0 388.281 2.036 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419058555 648331907 /nfs/dbraw/zinc/33/19/07/648331907.db2.gz WLSTYFOGFJHXQO-UONOGXRCSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419058554 648331974 /nfs/dbraw/zinc/33/19/74/648331974.db2.gz WLSTYFOGFJHXQO-KGLIPLIRSA-N 1 0 396.329 2.084 20 0 GEADRO CCCN(C(=O)C(=O)NCc1cc(C)ccc1Br)C1CC[NH2+]CC1 ZINC000419067506 648332094 /nfs/dbraw/zinc/33/20/94/648332094.db2.gz LDZZKPQIZAMKFM-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000419096810 648333664 /nfs/dbraw/zinc/33/36/64/648333664.db2.gz FIZZEGMVWVVCSN-UHFFFAOYSA-N 1 0 380.901 2.024 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCc4c3ccc(Cl)c4Cl)C[C@H]12 ZINC000419107454 648334675 /nfs/dbraw/zinc/33/46/75/648334675.db2.gz WVHJTPDFPAHPNO-PWFWHMEDSA-N 1 0 382.291 2.293 20 0 GEADRO C[C@]1(CNC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCC[NH2+]C1 ZINC000419113071 648334984 /nfs/dbraw/zinc/33/49/84/648334984.db2.gz WACCASCDIAVHJP-KRWDZBQOSA-N 1 0 380.901 2.072 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419124826 648335441 /nfs/dbraw/zinc/33/54/41/648335441.db2.gz IZSGYIMBGGBFII-JKSUJKDBSA-N 1 0 377.897 2.475 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2cc(Br)ccc2C)CC1 ZINC000419132376 648336196 /nfs/dbraw/zinc/33/61/96/648336196.db2.gz BIABFZUANXJDTE-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419130331 648336303 /nfs/dbraw/zinc/33/63/03/648336303.db2.gz ZUVDGLRHTFQQON-HOTGVXAUSA-N 1 0 377.897 2.475 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419135462 648336747 /nfs/dbraw/zinc/33/67/47/648336747.db2.gz MTKZOYFXLYWYDP-DGCLKSJQSA-N 1 0 388.295 2.122 20 0 GEADRO O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419136381 648336883 /nfs/dbraw/zinc/33/68/83/648336883.db2.gz OWXCWWYIABSXAJ-CYBMUJFWSA-N 1 0 388.295 2.137 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000419152583 648337566 /nfs/dbraw/zinc/33/75/66/648337566.db2.gz OQZZMHDYMNQETE-DYEKYZERSA-N 1 0 382.302 2.070 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000419152527 648337628 /nfs/dbraw/zinc/33/76/28/648337628.db2.gz OLVCSDODHCIGFP-OBJOEFQTSA-N 1 0 382.302 2.131 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000419152585 648337638 /nfs/dbraw/zinc/33/76/38/648337638.db2.gz OQZZMHDYMNQETE-OBJOEFQTSA-N 1 0 382.302 2.070 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000419157885 648337874 /nfs/dbraw/zinc/33/78/74/648337874.db2.gz WYSUBZAMVKUWRG-SWLSCSKDSA-N 1 0 382.302 2.227 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000419166755 648338814 /nfs/dbraw/zinc/33/88/14/648338814.db2.gz CFDFDNOZOVIUPL-GFCCVEGCSA-N 1 0 384.307 2.352 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419184478 648340317 /nfs/dbraw/zinc/34/03/17/648340317.db2.gz JSFXPECXXDHKHM-CYBMUJFWSA-N 1 0 396.329 2.053 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)CC[C@H]1[NH3+] ZINC000419187067 648340693 /nfs/dbraw/zinc/34/06/93/648340693.db2.gz MWIFLCFVQUHPPY-SWLSCSKDSA-N 1 0 396.329 2.039 20 0 GEADRO CC[C@H](C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1)OC ZINC000419208439 648341864 /nfs/dbraw/zinc/34/18/64/648341864.db2.gz AGQPXKVVBCHDOO-MRXNPFEDSA-N 1 0 384.318 2.430 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000419249017 648342758 /nfs/dbraw/zinc/34/27/58/648342758.db2.gz OSUHRHRJKBNMHK-QJPTWQEYSA-N 1 0 388.295 2.135 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419303297 648346001 /nfs/dbraw/zinc/34/60/01/648346001.db2.gz ROACDTZTVBGDFF-UHFFFAOYSA-N 1 0 394.313 2.108 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419300272 648346121 /nfs/dbraw/zinc/34/61/21/648346121.db2.gz LRXRFTDGJYDUFL-CABCVRRESA-N 1 0 394.313 2.035 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000419322141 648346889 /nfs/dbraw/zinc/34/68/89/648346889.db2.gz GYPCZOOBOMQRPV-CHWSQXEVSA-N 1 0 395.301 2.386 20 0 GEADRO C[C@H](NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000419324386 648347041 /nfs/dbraw/zinc/34/70/41/648347041.db2.gz JZNXCIYKHYMJPI-ILXRZTDVSA-N 1 0 398.345 2.013 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc2c(cc1Br)OCCO2 ZINC000419328447 648347918 /nfs/dbraw/zinc/34/79/18/648347918.db2.gz OUSIGXTXRFLKDD-STQMWFEESA-N 1 0 385.302 2.107 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419335952 648348104 /nfs/dbraw/zinc/34/81/04/648348104.db2.gz PBFWNXGIYNSNMA-UHFFFAOYSA-N 1 0 382.917 2.052 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)N(C)CCC[NH2+]C)Cc1cccc(Br)c1 ZINC000419369289 648350434 /nfs/dbraw/zinc/35/04/34/648350434.db2.gz ZBUGCNDHMLFNDO-CQSZACIVSA-N 1 0 398.345 2.202 20 0 GEADRO CC[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)Cc1cccc(Br)c1 ZINC000419363852 648350511 /nfs/dbraw/zinc/35/05/11/648350511.db2.gz PIVSLPXMRJHOSU-ZDUSSCGKSA-N 1 0 396.329 2.084 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419376048 648350959 /nfs/dbraw/zinc/35/09/59/648350959.db2.gz RKLVGWXUOJMEMA-UHFFFAOYSA-N 1 0 396.329 2.103 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1cc(Br)cs1 ZINC000419425058 648352262 /nfs/dbraw/zinc/35/22/62/648352262.db2.gz DOXBLPWMSAGSKP-GHMZBOCLSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419442916 648352688 /nfs/dbraw/zinc/35/26/88/648352688.db2.gz RKTORSIKUJKVKZ-KFWWJZLASA-N 1 0 398.345 2.477 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419442917 648352822 /nfs/dbraw/zinc/35/28/22/648352822.db2.gz RKTORSIKUJKVKZ-QLFBSQMISA-N 1 0 398.345 2.477 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1Br ZINC000419505788 648355012 /nfs/dbraw/zinc/35/50/12/648355012.db2.gz KYBWPLRARUISLH-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000419508605 648355261 /nfs/dbraw/zinc/35/52/61/648355261.db2.gz CZDOJDXNKKJSMP-STQMWFEESA-N 1 0 396.329 2.052 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H]1CCc2c1cccc2Br)[C@@H]1CC[NH2+]C1 ZINC000419584070 648356661 /nfs/dbraw/zinc/35/66/61/648356661.db2.gz IBQYMQFCKHDXCQ-MLGOLLRUSA-N 1 0 394.313 2.153 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000419585068 648356922 /nfs/dbraw/zinc/35/69/22/648356922.db2.gz KAOUTQZUZALAKC-MEDUHNTESA-N 1 0 394.313 2.138 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419586078 648357057 /nfs/dbraw/zinc/35/70/57/648357057.db2.gz LIHHLVPFPZOBJG-KNXALSJPSA-N 1 0 394.313 2.186 20 0 GEADRO C[C@]1(CNC(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CCC[NH2+]C1 ZINC000419589639 648357385 /nfs/dbraw/zinc/35/73/85/648357385.db2.gz QNAOHLUNPIUUDH-YJBOKZPZSA-N 1 0 394.313 2.059 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2nnc(C3CC3)s2)C1 ZINC000419595200 648357898 /nfs/dbraw/zinc/35/78/98/648357898.db2.gz KXUXVWFVHWYARD-CQSZACIVSA-N 1 0 384.571 2.122 20 0 GEADRO O=C(NCc1cccc(Br)c1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419625861 648358320 /nfs/dbraw/zinc/35/83/20/648358320.db2.gz BPDJVYDHRUIXCQ-MRXNPFEDSA-N 1 0 394.313 2.056 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000419629506 648358405 /nfs/dbraw/zinc/35/84/05/648358405.db2.gz LGPZKLLZJZNXCW-AMIZOPFISA-N 1 0 377.794 2.390 20 0 GEADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419643788 648359351 /nfs/dbraw/zinc/35/93/51/648359351.db2.gz XDYASWZXWZNKTH-IQJOONFLSA-N 1 0 376.309 2.175 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)s1 ZINC000419674471 648362706 /nfs/dbraw/zinc/36/27/06/648362706.db2.gz ACOQERVIHDTQDH-MXWKQRLJSA-N 1 0 388.331 2.131 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000419702261 648367306 /nfs/dbraw/zinc/36/73/06/648367306.db2.gz FKWHOXGYTKXYEG-HBNTYKKESA-N 1 0 388.331 2.322 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000419706417 648368269 /nfs/dbraw/zinc/36/82/69/648368269.db2.gz JQTYJPQQEWARLZ-VWYCJHECSA-N 1 0 388.331 2.192 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cnc(N(C)C)n1C ZINC000419708256 648368679 /nfs/dbraw/zinc/36/86/79/648368679.db2.gz HGLDDNRVZPSVLV-CQSZACIVSA-N 1 0 395.345 2.498 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)n1C ZINC000419713091 648369440 /nfs/dbraw/zinc/36/94/40/648369440.db2.gz QGCQJUPPFHKEFW-LBPRGKRZSA-N 1 0 399.308 2.329 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419714625 648370054 /nfs/dbraw/zinc/37/00/54/648370054.db2.gz TXAWPZVDRAVXTC-QWRGUYRKSA-N 1 0 388.331 2.194 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000419727897 648371255 /nfs/dbraw/zinc/37/12/55/648371255.db2.gz MFLJKPQRNJQIDH-ZWNOBZJWSA-N 1 0 386.279 2.049 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000419727946 648371262 /nfs/dbraw/zinc/37/12/62/648371262.db2.gz MIRBZAFBPDDBDE-RNCFNFMXSA-N 1 0 386.279 2.129 20 0 GEADRO O=C(NCc1cc(Br)cs1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419720176 648371312 /nfs/dbraw/zinc/37/13/12/648371312.db2.gz HROBSKHLTPLSBE-UHFFFAOYSA-N 1 0 394.294 2.046 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419719868 648371329 /nfs/dbraw/zinc/37/13/29/648371329.db2.gz XOXDFWBPTARSPJ-ZUZCIYMTSA-N 1 0 388.331 2.194 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000419736220 648372935 /nfs/dbraw/zinc/37/29/35/648372935.db2.gz WXEAZCCRURQCNQ-ZWNOBZJWSA-N 1 0 386.279 2.131 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000419737473 648373301 /nfs/dbraw/zinc/37/33/01/648373301.db2.gz YFCHOPDRVYRZFO-XDTLVQLUSA-N 1 0 386.279 2.177 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419741413 648373864 /nfs/dbraw/zinc/37/38/64/648373864.db2.gz CNCCXYBWCTZTRZ-MLGOLLRUSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419749754 648374287 /nfs/dbraw/zinc/37/42/87/648374287.db2.gz HJPCEYHPDRQAFU-HNNXBMFYSA-N 1 0 384.307 2.467 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000419763796 648376264 /nfs/dbraw/zinc/37/62/64/648376264.db2.gz FYLUNUZHGWHTKD-CYBMUJFWSA-N 1 0 396.329 2.231 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000419764160 648376328 /nfs/dbraw/zinc/37/63/28/648376328.db2.gz VMBCDFGIVHUDLM-MRVPVSSYSA-N 1 0 396.221 2.018 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1cc(F)cc(Br)c1 ZINC000419778843 648378207 /nfs/dbraw/zinc/37/82/07/648378207.db2.gz MVUDHRWVCPKANN-UONOGXRCSA-N 1 0 386.265 2.024 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CCC1 ZINC000419781016 648378318 /nfs/dbraw/zinc/37/83/18/648378318.db2.gz PCYULLFQTVHYOX-CQSZACIVSA-N 1 0 398.276 2.153 20 0 GEADRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C12CCC2 ZINC000419794374 648379095 /nfs/dbraw/zinc/37/90/95/648379095.db2.gz KYZJPPLXUKVPKP-UONOGXRCSA-N 1 0 389.315 2.144 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419797359 648379562 /nfs/dbraw/zinc/37/95/62/648379562.db2.gz RWYKQGPFSLZAII-UMVBOHGHSA-N 1 0 384.307 2.156 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000419804241 648379924 /nfs/dbraw/zinc/37/99/24/648379924.db2.gz CWARCGYPMZPHIS-STQMWFEESA-N 1 0 396.329 2.039 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419806962 648380484 /nfs/dbraw/zinc/38/04/84/648380484.db2.gz FPYSCUOEQJXROT-OAHLLOKOSA-N 1 0 398.345 2.477 20 0 GEADRO CCOc1cc(C[NH2+][C@H](CO)[C@@H](C)O)cc(Br)c1OC(F)F ZINC000419820580 648381793 /nfs/dbraw/zinc/38/17/93/648381793.db2.gz UWLORVLUMADXSI-LDYMZIIASA-N 1 0 384.217 2.281 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000419818187 648381839 /nfs/dbraw/zinc/38/18/39/648381839.db2.gz LFSGRIYIHUFYDX-BBRMVZONSA-N 1 0 398.345 2.328 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419831660 648383580 /nfs/dbraw/zinc/38/35/80/648383580.db2.gz UZUNNSADCFCKIH-VNHYZAJKSA-N 1 0 396.329 2.001 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000419835770 648384149 /nfs/dbraw/zinc/38/41/49/648384149.db2.gz ATJOLKQBSMXWTL-AWEZNQCLSA-N 1 0 381.929 2.291 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000419841462 648384397 /nfs/dbraw/zinc/38/43/97/648384397.db2.gz JYPQKFHTXKJGEM-WDEREUQCSA-N 1 0 386.315 2.042 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419840418 648384436 /nfs/dbraw/zinc/38/44/36/648384436.db2.gz IVNLZZCUXLAXDJ-IUODEOHRSA-N 1 0 398.276 2.120 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419848462 648384814 /nfs/dbraw/zinc/38/48/14/648384814.db2.gz VPBIWEPETBHGRR-INIZCTEOSA-N 1 0 394.313 2.023 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000419845191 648384892 /nfs/dbraw/zinc/38/48/92/648384892.db2.gz NGAGRQIVNXVEMM-UHFFFAOYSA-N 1 0 396.329 2.055 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419844090 648384991 /nfs/dbraw/zinc/38/49/91/648384991.db2.gz KSALMESGUMWZDS-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000419844173 648384999 /nfs/dbraw/zinc/38/49/99/648384999.db2.gz BTBZKOFVXMFOSQ-UHFFFAOYSA-N 1 0 396.329 2.446 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419855460 648385861 /nfs/dbraw/zinc/38/58/61/648385861.db2.gz HSWVMYQAULFFFQ-OAHLLOKOSA-N 1 0 396.329 2.302 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000419869398 648386197 /nfs/dbraw/zinc/38/61/97/648386197.db2.gz WCAYNBHOZPYBDG-BBRMVZONSA-N 1 0 381.929 2.072 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)ccc1Br ZINC000419869034 648386334 /nfs/dbraw/zinc/38/63/34/648386334.db2.gz RFWIRWSBEQVYNN-HZPDHXFCSA-N 1 0 394.313 2.275 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000419890232 648386682 /nfs/dbraw/zinc/38/66/82/648386682.db2.gz IFZMAQHJVHUDDX-LRDDRELGSA-N 1 0 375.519 2.152 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000419910049 648387899 /nfs/dbraw/zinc/38/78/99/648387899.db2.gz NZOUQSZRDLSUTD-UHFFFAOYSA-N 1 0 384.318 2.302 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000419909792 648387921 /nfs/dbraw/zinc/38/79/21/648387921.db2.gz GTPPCDDGLUCCNB-CJNGLKHVSA-N 1 0 381.929 2.072 20 0 GEADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000419916491 648388137 /nfs/dbraw/zinc/38/81/37/648388137.db2.gz FPVHHJIMJFYHAE-GFCCVEGCSA-N 1 0 382.291 2.335 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419922666 648388705 /nfs/dbraw/zinc/38/87/05/648388705.db2.gz AIZMXSYGDSIEHJ-ZDUSSCGKSA-N 1 0 396.329 2.127 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000419926276 648389059 /nfs/dbraw/zinc/38/90/59/648389059.db2.gz AXFSTDXIKSNDBS-AWEZNQCLSA-N 1 0 398.345 2.405 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419924120 648389126 /nfs/dbraw/zinc/38/91/26/648389126.db2.gz BXOJKHIZDLRIDV-CQSZACIVSA-N 1 0 396.329 2.222 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419932109 648389814 /nfs/dbraw/zinc/38/98/14/648389814.db2.gz DLBUFDOXHCYAGP-CYBMUJFWSA-N 1 0 396.329 2.159 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419971238 648392066 /nfs/dbraw/zinc/39/20/66/648392066.db2.gz WKGYXUZDBXRHMH-INIZCTEOSA-N 1 0 396.329 2.431 20 0 GEADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419975348 648392456 /nfs/dbraw/zinc/39/24/56/648392456.db2.gz AJZVYCFJNBRGHM-CJNGLKHVSA-N 1 0 394.313 2.184 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419979237 648392486 /nfs/dbraw/zinc/39/24/86/648392486.db2.gz PGERFPOLEPYSRT-NEPJUHHUSA-N 1 0 390.311 2.191 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000419989539 648393575 /nfs/dbraw/zinc/39/35/75/648393575.db2.gz BGFMBBWCFNFMPD-LBPRGKRZSA-N 1 0 384.307 2.384 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419997293 648394221 /nfs/dbraw/zinc/39/42/21/648394221.db2.gz JVMXXRPDVWRSBQ-AWEZNQCLSA-N 1 0 382.302 2.056 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419998957 648394515 /nfs/dbraw/zinc/39/45/15/648394515.db2.gz NZFLQFNDJOSQDR-GJZGRUSLSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000420016470 648395985 /nfs/dbraw/zinc/39/59/85/648395985.db2.gz NEUZGXNIZRBGBG-WDEREUQCSA-N 1 0 388.331 2.274 20 0 GEADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000420035357 648397355 /nfs/dbraw/zinc/39/73/55/648397355.db2.gz KDJKJONGDOTYEU-GWCFXTLKSA-N 1 0 388.295 2.181 20 0 GEADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000420042374 648398025 /nfs/dbraw/zinc/39/80/25/648398025.db2.gz QMDKCPAYXLOVGG-QMTHXVAHSA-N 1 0 388.295 2.181 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420055229 648398247 /nfs/dbraw/zinc/39/82/47/648398247.db2.gz HWMLIZAJPOOBOJ-WFASDCNBSA-N 1 0 382.302 2.041 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420055028 648398438 /nfs/dbraw/zinc/39/84/38/648398438.db2.gz YPTXVWSDRZFVSZ-IUODEOHRSA-N 1 0 382.302 2.041 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420070776 648399608 /nfs/dbraw/zinc/39/96/08/648399608.db2.gz VSSMTWOUCWZWQN-ZBFHGGJFSA-N 1 0 396.329 2.431 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)CCC1 ZINC000420089143 648401152 /nfs/dbraw/zinc/40/11/52/648401152.db2.gz JFDFTYZSMMCOQR-UHFFFAOYSA-N 1 0 394.313 2.153 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)s2)CCC1 ZINC000420091176 648401171 /nfs/dbraw/zinc/40/11/71/648401171.db2.gz MNVNCWNISKSRGC-JTQLQIEISA-N 1 0 386.315 2.172 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000420098042 648401645 /nfs/dbraw/zinc/40/16/45/648401645.db2.gz AKMKTMKDAOGSDQ-WQVCFCJDSA-N 1 0 381.929 2.071 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000420111417 648402442 /nfs/dbraw/zinc/40/24/42/648402442.db2.gz CQPFBGVUHMHJBB-WQVCFCJDSA-N 1 0 394.313 2.369 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420111764 648402477 /nfs/dbraw/zinc/40/24/77/648402477.db2.gz CZBYTEBCHKVPDO-ZFWWWQNUSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420115290 648402865 /nfs/dbraw/zinc/40/28/65/648402865.db2.gz GMTBBUBJZFWROV-SCLBCKFNSA-N 1 0 396.329 2.474 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420121576 648403195 /nfs/dbraw/zinc/40/31/95/648403195.db2.gz PLHYTHVLMMDWEM-XJKSGUPXSA-N 1 0 396.329 2.300 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)CCC1 ZINC000420122962 648403308 /nfs/dbraw/zinc/40/33/08/648403308.db2.gz LIKIAYWCHCNXPD-UHFFFAOYSA-N 1 0 394.313 2.185 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420126239 648403808 /nfs/dbraw/zinc/40/38/08/648403808.db2.gz UBPVNKISKDZBRE-BBRMVZONSA-N 1 0 396.329 2.300 20 0 GEADRO Cc1ccc(Br)cc1-c1nnc(NCCCN2CC[NH2+]CC2)s1 ZINC000420124841 648403843 /nfs/dbraw/zinc/40/38/43/648403843.db2.gz PADVEDCPDGNHOV-UHFFFAOYSA-N 1 0 396.358 2.983 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420125094 648403865 /nfs/dbraw/zinc/40/38/65/648403865.db2.gz NHQGRMLELNOQRD-CJNGLKHVSA-N 1 0 396.329 2.300 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420127241 648403877 /nfs/dbraw/zinc/40/38/77/648403877.db2.gz OTGFINPLIRIKEG-WQVCFCJDSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420152327 648405953 /nfs/dbraw/zinc/40/59/53/648405953.db2.gz ZAOQZBMTSMXMLJ-WBMJQRKESA-N 1 0 394.313 2.054 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000420152972 648406027 /nfs/dbraw/zinc/40/60/27/648406027.db2.gz ZOMHSMKRQZYEBZ-CYBMUJFWSA-N 1 0 396.329 2.444 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420153692 648406561 /nfs/dbraw/zinc/40/65/61/648406561.db2.gz BJKKQYWJVHCCEF-HNNXBMFYSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420174463 648407836 /nfs/dbraw/zinc/40/78/36/648407836.db2.gz WWRGCMUUMWNPMG-HUBLWGQQSA-N 1 0 382.302 2.225 20 0 GEADRO COCC[NH2+]CCNC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000420183009 648408306 /nfs/dbraw/zinc/40/83/06/648408306.db2.gz KUVPCQCILHFKAZ-UHFFFAOYSA-N 1 0 390.311 2.083 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420199139 648409422 /nfs/dbraw/zinc/40/94/22/648409422.db2.gz DFLSURACVXLMEA-WOSRLPQWSA-N 1 0 384.307 2.456 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000420217311 648409727 /nfs/dbraw/zinc/40/97/27/648409727.db2.gz XMQGJAQHILIHOJ-WQVCFCJDSA-N 1 0 381.929 2.200 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1c1ncnc2cc(Br)ccc21 ZINC000420245997 648411191 /nfs/dbraw/zinc/41/11/91/648411191.db2.gz MFXGUIDCIBLAKV-CYBMUJFWSA-N 1 0 392.301 2.216 20 0 GEADRO Ic1ccc2ncnc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000420253413 648411902 /nfs/dbraw/zinc/41/19/02/648411902.db2.gz DNVFZAPVZGBSRK-MNOVXSKESA-N 1 0 380.233 2.280 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCS(=O)(=O)c1cccc(Br)c1 ZINC000420375559 648414433 /nfs/dbraw/zinc/41/44/33/648414433.db2.gz TXWVXLXYMHMBAU-LALPHHSUSA-N 1 0 375.332 2.199 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420367968 648414729 /nfs/dbraw/zinc/41/47/29/648414729.db2.gz KCTWNGHDFUAAML-SFHVURJKSA-N 1 0 380.330 2.483 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(O)(C[NH3+])CC1 ZINC000420401609 648415742 /nfs/dbraw/zinc/41/57/42/648415742.db2.gz GVSKYSLPBJXPLG-SNVBAGLBSA-N 1 0 379.810 2.471 20 0 GEADRO O=S(=O)(NCCC[NH2+]C1CC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000420445346 648416442 /nfs/dbraw/zinc/41/64/42/648416442.db2.gz FJRMWPMNLWTAIK-CYBMUJFWSA-N 1 0 388.917 2.176 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000420445244 648416471 /nfs/dbraw/zinc/41/64/71/648416471.db2.gz DOMPMGXGTYPCGB-GFCCVEGCSA-N 1 0 376.906 2.174 20 0 GEADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420446635 648417155 /nfs/dbraw/zinc/41/71/55/648417155.db2.gz HUNYFVWJFGWYJE-HQJQHLMTSA-N 1 0 383.670 2.224 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420463609 648418089 /nfs/dbraw/zinc/41/80/89/648418089.db2.gz OCHHERNALWRQJS-TZMCWYRMSA-N 1 0 386.901 2.279 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420670942 648431867 /nfs/dbraw/zinc/43/18/67/648431867.db2.gz IPXXJMGSOBWGKD-UHFFFAOYSA-N 1 0 386.848 2.188 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421181543 648467652 /nfs/dbraw/zinc/46/76/52/648467652.db2.gz QTXWFMZDQNCHRV-ZDUSSCGKSA-N 1 0 394.313 2.186 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)ccc1Br ZINC000421291811 648484058 /nfs/dbraw/zinc/48/40/58/648484058.db2.gz ZUANLTDRDUDMDR-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000421371069 648488659 /nfs/dbraw/zinc/48/86/59/648488659.db2.gz ZXKIAKAPHDCJDH-RDBSUJKOSA-N 1 0 399.329 2.413 20 0 GEADRO CN(C(=O)C(=O)NCc1ccsc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000421424414 648491731 /nfs/dbraw/zinc/49/17/31/648491731.db2.gz WYMYGCPIFSEDQP-UHFFFAOYSA-N 1 0 377.432 2.240 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000421709100 648505979 /nfs/dbraw/zinc/50/59/79/648505979.db2.gz CLXGDMXPQKMAED-ZDUSSCGKSA-N 1 0 378.274 2.196 20 0 GEADRO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(I)c1 ZINC000421708915 648506074 /nfs/dbraw/zinc/50/60/74/648506074.db2.gz BNPIJJMMMHWIBN-NSHDSACASA-N 1 0 388.249 2.466 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000422013890 648517905 /nfs/dbraw/zinc/51/79/05/648517905.db2.gz YESCWNNUSMTUHL-UHFFFAOYSA-N 1 0 396.285 2.383 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422109835 648522897 /nfs/dbraw/zinc/52/28/97/648522897.db2.gz VXJQHGSTHQCUNT-GFCCVEGCSA-N 1 0 388.331 2.022 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000422274741 648532247 /nfs/dbraw/zinc/53/22/47/648532247.db2.gz YYSRURNJXMQEFF-DZGCQCFKSA-N 1 0 381.567 2.087 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1)c1nccs1 ZINC000422334681 648537509 /nfs/dbraw/zinc/53/75/09/648537509.db2.gz DJJWBGAAKXNQLG-CQSZACIVSA-N 1 0 380.539 2.362 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000422406692 648543990 /nfs/dbraw/zinc/54/39/90/648543990.db2.gz AVTYGYXNMMLLRI-JSGCOSHPSA-N 1 0 394.313 2.115 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422472283 648548112 /nfs/dbraw/zinc/54/81/12/648548112.db2.gz CEDSNLQVRSNRDT-UHFFFAOYSA-N 1 0 396.329 2.051 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000422478156 648549323 /nfs/dbraw/zinc/54/93/23/648549323.db2.gz OPJPPDSTCHWKQS-UHFFFAOYSA-N 1 0 396.329 2.051 20 0 GEADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000422479026 648549823 /nfs/dbraw/zinc/54/98/23/648549823.db2.gz QSCUZVUZGFULLZ-UHFFFAOYSA-N 1 0 396.329 2.097 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422491411 648551266 /nfs/dbraw/zinc/55/12/66/648551266.db2.gz NWDZPBZVNAHNQR-AWEZNQCLSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CS1 ZINC000422511854 648554168 /nfs/dbraw/zinc/55/41/68/648554168.db2.gz VJXSBRNOCHUQAB-XJKSGUPXSA-N 1 0 383.945 2.240 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000422521624 648556324 /nfs/dbraw/zinc/55/63/24/648556324.db2.gz SYMCJTPPZOYTLY-UHFFFAOYSA-N 1 0 396.329 2.363 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422551639 648558122 /nfs/dbraw/zinc/55/81/22/648558122.db2.gz FNILMSRHGDDCBS-WDMOLILDSA-N 1 0 388.917 2.429 20 0 GEADRO COc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1Br ZINC000422551013 648558154 /nfs/dbraw/zinc/55/81/54/648558154.db2.gz CRLONBIOXBXPCQ-TUAOUCFPSA-N 1 0 391.331 2.452 20 0 GEADRO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000422548336 648558293 /nfs/dbraw/zinc/55/82/93/648558293.db2.gz YTKHADRZNJTPHR-STQMWFEESA-N 1 0 394.313 2.105 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC2(CC[NH2+]2)CC1 ZINC000422558258 648559091 /nfs/dbraw/zinc/55/90/91/648559091.db2.gz YJKBIOUFXTYTKA-UHFFFAOYSA-N 1 0 381.242 2.244 20 0 GEADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1C[NH3+] ZINC000422558364 648559160 /nfs/dbraw/zinc/55/91/60/648559160.db2.gz ZBKMQGHTJKZGDD-JHJVBQTASA-N 1 0 377.913 2.461 20 0 GEADRO Brc1ccccc1N1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422703484 648573743 /nfs/dbraw/zinc/57/37/43/648573743.db2.gz HVIKXEICFGAKSF-QGTPRVQTSA-N 1 0 380.330 2.384 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CNCC[C@@H]2C)c1 ZINC000422907235 648576817 /nfs/dbraw/zinc/57/68/17/648576817.db2.gz LEJJFTZWNVETHZ-BLLLJJGKSA-N 1 0 384.318 2.165 20 0 GEADRO FC(F)(F)c1cnc(OCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)c(Cl)c1 ZINC000422925898 648577377 /nfs/dbraw/zinc/57/73/77/648577377.db2.gz VUHSHBNYAYOKCU-UONOGXRCSA-N 1 0 379.810 2.489 20 0 GEADRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000422933512 648577648 /nfs/dbraw/zinc/57/76/48/648577648.db2.gz HXBXCDSHBDALOW-KWQFWETISA-N 1 0 375.782 2.406 20 0 GEADRO C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000422926958 648577719 /nfs/dbraw/zinc/57/77/19/648577719.db2.gz FHEMDMVUPXUUFA-WFASDCNBSA-N 1 0 385.917 2.451 20 0 GEADRO COc1ccc([C@H](C)NC(=O)c2cn(CCCC[NH3+])nn2)cc1Br ZINC000422932259 648577793 /nfs/dbraw/zinc/57/77/93/648577793.db2.gz FHJLCGZJOSREOO-NSHDSACASA-N 1 0 396.289 2.279 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422967156 648579270 /nfs/dbraw/zinc/57/92/70/648579270.db2.gz BIJWMCNVECSUOH-MRXNPFEDSA-N 1 0 396.329 2.098 20 0 GEADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)[C@@H](C)[NH3+] ZINC000423109741 648580914 /nfs/dbraw/zinc/58/09/14/648580914.db2.gz SZNJMWUMJHMJSR-CJNGLKHVSA-N 1 0 396.329 2.353 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C(C)C)C1 ZINC000423109239 648580935 /nfs/dbraw/zinc/58/09/35/648580935.db2.gz UQBPITOWENSZIV-OAHLLOKOSA-N 1 0 396.329 2.254 20 0 GEADRO COC[C@]1(C(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]C1 ZINC000423122101 648582799 /nfs/dbraw/zinc/58/27/99/648582799.db2.gz KEHWRFASAHUZMB-ZDUSSCGKSA-N 1 0 396.175 2.134 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000423140203 648584310 /nfs/dbraw/zinc/58/43/10/648584310.db2.gz XSLZKMWAMIYYON-ZDUSSCGKSA-N 1 0 390.347 2.301 20 0 GEADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000423154849 648585172 /nfs/dbraw/zinc/58/51/72/648585172.db2.gz KDKHQUGLTKWETJ-XJKCOSOUSA-N 1 0 389.309 2.096 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1Br ZINC000423164493 648585753 /nfs/dbraw/zinc/58/57/53/648585753.db2.gz SRIMGOBEUCOHFC-KFKAGJAMSA-N 1 0 397.357 2.265 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000423168663 648585992 /nfs/dbraw/zinc/58/59/92/648585992.db2.gz HOPWZPYSANYJAG-OAHLLOKOSA-N 1 0 382.302 2.181 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423167364 648586048 /nfs/dbraw/zinc/58/60/48/648586048.db2.gz DYJXYPVKWFXHCP-HZPDHXFCSA-N 1 0 394.313 2.323 20 0 GEADRO COC[C@H](CCC[NH3+])NCc1c(Br)cncc1Br ZINC000423166891 648586109 /nfs/dbraw/zinc/58/61/09/648586109.db2.gz ZSPOLICENQSPQU-VIFPVBQESA-N 1 0 381.112 2.450 20 0 GEADRO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)Sc1ccc(Br)cc1 ZINC000423191513 648587123 /nfs/dbraw/zinc/58/71/23/648587123.db2.gz UJFQINNHPNFXKS-NSHDSACASA-N 1 0 398.330 2.300 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423193688 648587267 /nfs/dbraw/zinc/58/72/67/648587267.db2.gz VWPPZAVFDKMJGK-MRXNPFEDSA-N 1 0 382.302 2.041 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000423233047 648588177 /nfs/dbraw/zinc/58/81/77/648588177.db2.gz NQWHYRVABOTLTR-MRXNPFEDSA-N 1 0 396.329 2.166 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423423094 648590501 /nfs/dbraw/zinc/59/05/01/648590501.db2.gz KSHODQLAXZVSKP-SUMWQHHRSA-N 1 0 376.298 2.476 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423449186 648591019 /nfs/dbraw/zinc/59/10/19/648591019.db2.gz CDZNREQHHFIFGR-UHFFFAOYSA-N 1 0 388.693 2.011 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000423475140 648591438 /nfs/dbraw/zinc/59/14/38/648591438.db2.gz RPSZVZJECBFVJF-NEPJUHHUSA-N 1 0 388.295 2.169 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000423468494 648591734 /nfs/dbraw/zinc/59/17/34/648591734.db2.gz OKJRSNSYSIQXLK-LBPRGKRZSA-N 1 0 390.311 2.287 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423485001 648592587 /nfs/dbraw/zinc/59/25/87/648592587.db2.gz STCVLLXTTHZTAA-GFCCVEGCSA-N 1 0 396.329 2.338 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)CC1 ZINC000423485023 648592657 /nfs/dbraw/zinc/59/26/57/648592657.db2.gz SUYNKIOQEMLKIV-GFCCVEGCSA-N 1 0 394.313 2.105 20 0 GEADRO C[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423497269 648593178 /nfs/dbraw/zinc/59/31/78/648593178.db2.gz GIEUFUYFIUKMDT-IINYFYTJSA-N 1 0 390.347 2.265 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000423508579 648593505 /nfs/dbraw/zinc/59/35/05/648593505.db2.gz KWBKOFIKVMWKAE-UHFFFAOYSA-N 1 0 394.313 2.137 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423550866 648595151 /nfs/dbraw/zinc/59/51/51/648595151.db2.gz BBRWSNKRSLCBFT-SCLBCKFNSA-N 1 0 394.313 2.181 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000423650177 648597995 /nfs/dbraw/zinc/59/79/95/648597995.db2.gz QFXKJJWCBCIVMH-CQSZACIVSA-N 1 0 381.929 2.373 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423652007 648598011 /nfs/dbraw/zinc/59/80/11/648598011.db2.gz WUEVCZIMMVCNHT-DFBGVHRSSA-N 1 0 382.302 2.152 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000423662401 648598973 /nfs/dbraw/zinc/59/89/73/648598973.db2.gz BHWCEWWPZIMAPP-PWSUYJOCSA-N 1 0 388.331 2.197 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423668693 648598993 /nfs/dbraw/zinc/59/89/93/648598993.db2.gz WKAZSRWXKMWRQW-BBRMVZONSA-N 1 0 381.929 2.101 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000423677004 648599500 /nfs/dbraw/zinc/59/95/00/648599500.db2.gz JNAUJLYCSSOAOG-IUODEOHRSA-N 1 0 382.302 2.136 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000423699928 648599802 /nfs/dbraw/zinc/59/98/02/648599802.db2.gz SEJJVGNMUWCONI-XJKSGUPXSA-N 1 0 396.329 2.444 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423702714 648599853 /nfs/dbraw/zinc/59/98/53/648599853.db2.gz ANQVEHZKXJKIIQ-HNNXBMFYSA-N 1 0 383.945 2.402 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423709139 648600412 /nfs/dbraw/zinc/60/04/12/648600412.db2.gz VUSDOCPRITYGPS-DGCLKSJQSA-N 1 0 388.295 2.169 20 0 GEADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000423719338 648600985 /nfs/dbraw/zinc/60/09/85/648600985.db2.gz FFECWRSKFSLNTK-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)[C@@H]1C[NH3+] ZINC000423743614 648601315 /nfs/dbraw/zinc/60/13/15/648601315.db2.gz VMMBJTAHOUWWAD-XJKSGUPXSA-N 1 0 396.329 2.036 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)C2=O)ccc1Br ZINC000423843912 648602623 /nfs/dbraw/zinc/60/26/23/648602623.db2.gz MYZFUKHLEBRZQN-UVBJJODRSA-N 1 0 394.313 2.367 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423869756 648602911 /nfs/dbraw/zinc/60/29/11/648602911.db2.gz IRJPFRVAMWMKAY-UHFFFAOYSA-N 1 0 386.681 2.315 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@H]([NH3+])C3CCC3)C2=O)ccc1Br ZINC000423851672 648602992 /nfs/dbraw/zinc/60/29/92/648602992.db2.gz URFOUALBPBIKMS-HUUCEWRRSA-N 1 0 380.286 2.106 20 0 GEADRO COC(=O)c1cc(NC(=O)COC2CC[NH2+]CC2)cc(Br)c1F ZINC000423911642 648603000 /nfs/dbraw/zinc/60/30/00/648603000.db2.gz IYQHGJIPHPQBAW-UHFFFAOYSA-N 1 0 389.221 2.082 20 0 GEADRO [NH3+]C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1CCCC1 ZINC000423938020 648603638 /nfs/dbraw/zinc/60/36/38/648603638.db2.gz IGJORRRISHHAEO-ZFWWWQNUSA-N 1 0 394.313 2.436 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C[C@@]1(C)C[NH3+] ZINC000423982934 648606857 /nfs/dbraw/zinc/60/68/57/648606857.db2.gz KSHOHPSILQTEOR-FHSNZYRGSA-N 1 0 394.313 2.245 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc(F)ccc3Br)C2)nn1 ZINC000423995291 648607275 /nfs/dbraw/zinc/60/72/75/648607275.db2.gz DMUXMWATPBEVLH-LBPRGKRZSA-N 1 0 382.237 2.116 20 0 GEADRO Cc1c(Br)cccc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423999357 648608029 /nfs/dbraw/zinc/60/80/29/648608029.db2.gz KERKZKPMLDMVEZ-CYBMUJFWSA-N 1 0 378.274 2.285 20 0 GEADRO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc(I)cc32)C[C@@H]1C[NH3+] ZINC000424002147 648608641 /nfs/dbraw/zinc/60/86/41/648608641.db2.gz CTDYRKBLJABBKL-ZJUUUORDSA-N 1 0 398.248 2.224 20 0 GEADRO C[C@H]1CCN(C(=O)c2n[nH]c3ccc(I)cc32)C[C@H]1C[NH3+] ZINC000424002144 648608667 /nfs/dbraw/zinc/60/86/67/648608667.db2.gz CTDYRKBLJABBKL-VHSXEESVSA-N 1 0 398.248 2.224 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000424081093 648611365 /nfs/dbraw/zinc/61/13/65/648611365.db2.gz WFNXTLKNKIYDTN-DYEKYZERSA-N 1 0 382.302 2.011 20 0 GEADRO COc1ccc(Br)cc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424098014 648612865 /nfs/dbraw/zinc/61/28/65/648612865.db2.gz SGLHMGKWHYFCFJ-NSHDSACASA-N 1 0 380.246 2.226 20 0 GEADRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000424118047 648614235 /nfs/dbraw/zinc/61/42/35/648614235.db2.gz CEDDRQHEGKQAFD-WCQYABFASA-N 1 0 386.233 2.008 20 0 GEADRO C[NH+](C)CCOc1ccc(NS(=O)(=O)CCOCC2CC2)cc1Cl ZINC000424205722 648617352 /nfs/dbraw/zinc/61/73/52/648617352.db2.gz MPHWVQRBYIXAID-UHFFFAOYSA-N 1 0 376.906 2.449 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)CCc3cc(F)ccc3Br)C[C@H]2[NH3+])cn1 ZINC000424229872 648621097 /nfs/dbraw/zinc/62/10/97/648621097.db2.gz YFWYRJQZNAXKBQ-GOEBONIOSA-N 1 0 395.276 2.208 20 0 GEADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424228800 648621231 /nfs/dbraw/zinc/62/12/31/648621231.db2.gz UZPSKGPJROFQKG-VHRBIJSZSA-N 1 0 383.279 2.448 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3ccc(Br)cc3Cl)C[C@H]2[NH3+])cn1 ZINC000424228737 648621234 /nfs/dbraw/zinc/62/12/34/648621234.db2.gz ULOASQXCWJEMAV-GXTWGEPZSA-N 1 0 383.677 2.403 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCCS(C)(=O)=O ZINC000424308954 648622656 /nfs/dbraw/zinc/62/26/56/648622656.db2.gz PPNHDPYZYCCXQI-GFCCVEGCSA-N 1 0 376.906 2.480 20 0 GEADRO Cn1cc([C@@H]2CN(Cc3cc(Br)cc4c3OCC4)C[C@H]2[NH3+])cn1 ZINC000424381982 648625633 /nfs/dbraw/zinc/62/56/33/648625633.db2.gz RQXQDIWAALIBSE-JKSUJKDBSA-N 1 0 377.286 2.044 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424396506 648626728 /nfs/dbraw/zinc/62/67/28/648626728.db2.gz XKLISBKBGNWNQC-GFCCVEGCSA-N 1 0 386.901 2.279 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCCC[C@H]3[NH3+])nc12 ZINC000424468214 648629478 /nfs/dbraw/zinc/62/94/78/648629478.db2.gz XHQDFNZCVNPJMF-ZIAGYGMSSA-N 1 0 380.290 2.474 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000424467731 648629502 /nfs/dbraw/zinc/62/95/02/648629502.db2.gz NCLIJLZPIACQRT-GFCCVEGCSA-N 1 0 393.656 2.448 20 0 GEADRO C[C@H]1CN(C(=O)NCc2cc(Cl)cc(I)c2)CC[NH2+]1 ZINC000424467333 648629524 /nfs/dbraw/zinc/62/95/24/648629524.db2.gz MQAHCAOPGQYMAQ-VIFPVBQESA-N 1 0 393.656 2.448 20 0 GEADRO CC(C)([NH3+])CNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424473607 648629973 /nfs/dbraw/zinc/62/99/73/648629973.db2.gz HGGZQROWCGSVMX-UHFFFAOYSA-N 1 0 381.645 2.481 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000424478345 648630656 /nfs/dbraw/zinc/63/06/56/648630656.db2.gz NEWPDPIMOGTYQY-UONOGXRCSA-N 1 0 398.301 2.084 20 0 GEADRO COc1ncc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000424559414 648634777 /nfs/dbraw/zinc/63/47/77/648634777.db2.gz KDIVZCHATGQXDR-RYUDHWBXSA-N 1 0 386.290 2.082 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000424663902 648637347 /nfs/dbraw/zinc/63/73/47/648637347.db2.gz LIGNBONRPKXILB-UHFFFAOYSA-N 1 0 398.345 2.476 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000424858527 648653716 /nfs/dbraw/zinc/65/37/16/648653716.db2.gz BTAVAGNIQKEIHD-CYBMUJFWSA-N 1 0 385.302 2.343 20 0 GEADRO CO[C@H](C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1)C1CC1 ZINC000425427944 648676546 /nfs/dbraw/zinc/67/65/46/648676546.db2.gz TZCMKUUYYQKJRP-QGZVFWFLSA-N 1 0 396.329 2.430 20 0 GEADRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000425515141 648683773 /nfs/dbraw/zinc/68/37/73/648683773.db2.gz WOHAXDPSKRZKDC-XFBWCDHKSA-N 1 0 395.297 2.305 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1Br ZINC000425822755 648699871 /nfs/dbraw/zinc/69/98/71/648699871.db2.gz UUAQVHHJPVYKEH-WCQYABFASA-N 1 0 398.276 2.388 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425820908 648699897 /nfs/dbraw/zinc/69/98/97/648699897.db2.gz PJCMWUQDWPXAGE-IINYFYTJSA-N 1 0 386.279 2.493 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000426195876 648707884 /nfs/dbraw/zinc/70/78/84/648707884.db2.gz ILYLWFJITXMEOF-LLVKDONJSA-N 1 0 394.324 2.336 20 0 GEADRO CC[NH+](CC)CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000426848600 648716021 /nfs/dbraw/zinc/71/60/21/648716021.db2.gz PPTBXTPZNJQWGR-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO O=C(NCC[NH+]1CCCC1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000426880944 648717282 /nfs/dbraw/zinc/71/72/82/648717282.db2.gz GSEPVKZIZWNSAU-INIZCTEOSA-N 1 0 394.313 2.152 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427079501 648722365 /nfs/dbraw/zinc/72/23/65/648722365.db2.gz CBVSNBZTCRNZJA-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1Br ZINC000427766620 648729048 /nfs/dbraw/zinc/72/90/48/648729048.db2.gz ZYQDVQJTBVCOPA-CYBMUJFWSA-N 1 0 398.301 2.185 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNC(=O)c1cccs1 ZINC000428459460 648734194 /nfs/dbraw/zinc/73/41/94/648734194.db2.gz DZEOSQMBGBUDNQ-GFCCVEGCSA-N 1 0 398.326 2.471 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000428558925 648736871 /nfs/dbraw/zinc/73/68/71/648736871.db2.gz JCKJRAMSFFTLOS-UHFFFAOYSA-N 1 0 396.376 2.093 20 0 GEADRO C[C@H](CNC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000428573483 648738139 /nfs/dbraw/zinc/73/81/39/648738139.db2.gz NASPVKAVBZWSEN-UKRRQHHQSA-N 1 0 398.345 2.382 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccccc1Br)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000428591882 648740119 /nfs/dbraw/zinc/74/01/19/648740119.db2.gz AMLZZTPUJCEESP-UKRRQHHQSA-N 1 0 396.329 2.136 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000428620648 648741745 /nfs/dbraw/zinc/74/17/45/648741745.db2.gz LUANRBGUKIPCPX-UKPHBRMFSA-N 1 0 398.345 2.382 20 0 GEADRO OC[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccc(Br)c(F)c1 ZINC000429010442 648742667 /nfs/dbraw/zinc/74/26/67/648742667.db2.gz PTVIWLQHAWETNY-WBMJQRKESA-N 1 0 388.233 2.382 20 0 GEADRO O=C(CCC(=O)c1ccc(I)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000429077822 648743826 /nfs/dbraw/zinc/74/38/26/648743826.db2.gz LREGCUOYLOZTRC-ZDUSSCGKSA-N 1 0 386.233 2.122 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000429139467 648745769 /nfs/dbraw/zinc/74/57/69/648745769.db2.gz XTJVNDFKLOAIES-CQSZACIVSA-N 1 0 387.571 2.462 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2nnc(SC)s2)[C@@H](C)C1 ZINC000429154694 648747207 /nfs/dbraw/zinc/74/72/07/648747207.db2.gz HKFNSSLBJFEQNB-QWHCGFSZSA-N 1 0 387.575 2.196 20 0 GEADRO Cc1cc(CC(C)(C)[NH2+]CC(=O)N2CCN(C)CC2)ccc1Br ZINC000429258286 648748565 /nfs/dbraw/zinc/74/85/65/648748565.db2.gz HGBYZNVRGCZXIN-UHFFFAOYSA-N 1 0 382.346 2.442 20 0 GEADRO C[C@H](CNC(=O)c1c(I)cnn1C)[N@@H+]1CCCC[C@@H]1C ZINC000429868066 648756202 /nfs/dbraw/zinc/75/62/02/648756202.db2.gz RXMACLPCOZRNIH-WDEREUQCSA-N 1 0 390.269 2.017 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000430542499 648763437 /nfs/dbraw/zinc/76/34/37/648763437.db2.gz KPAOLCYIMIFOLG-STQMWFEESA-N 1 0 375.332 2.282 20 0 GEADRO CC(C)[C@H](O)CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430700679 648765405 /nfs/dbraw/zinc/76/54/05/648765405.db2.gz SSPQZQKDAWVYDI-GXFFZTMASA-N 1 0 379.320 2.154 20 0 GEADRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430712264 648765921 /nfs/dbraw/zinc/76/59/21/648765921.db2.gz HDWAZXHMECJHKW-CMPLNLGQSA-N 1 0 379.320 2.298 20 0 GEADRO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430738681 648766773 /nfs/dbraw/zinc/76/67/73/648766773.db2.gz FWIKAFLTMVIHDD-SSDOTTSWSA-N 1 0 391.209 2.284 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000432525441 648777670 /nfs/dbraw/zinc/77/76/70/648777670.db2.gz HRWPOVKTZBYTDV-SMDDNHRTSA-N 1 0 383.290 2.075 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(Cc2c(Br)cccc2C(=O)OC)CC1 ZINC000432824184 648780638 /nfs/dbraw/zinc/78/06/38/648780638.db2.gz OGSBMUOGVIWZQR-CYBMUJFWSA-N 1 0 385.302 2.124 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2c(Br)cccc2C(=O)OC)CC1 ZINC000432824185 648780776 /nfs/dbraw/zinc/78/07/76/648780776.db2.gz OGSBMUOGVIWZQR-ZDUSSCGKSA-N 1 0 385.302 2.124 20 0 GEADRO Cc1ncsc1CN(CCS(=O)(=O)c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000435722275 648785870 /nfs/dbraw/zinc/78/58/70/648785870.db2.gz ILKSFQBRVRFWFC-MRXNPFEDSA-N 1 0 379.551 2.337 20 0 GEADRO COc1cc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c(SC)cc1OC ZINC000435768987 648787219 /nfs/dbraw/zinc/78/72/19/648787219.db2.gz HSXAQIHEFPLOHH-ZDUSSCGKSA-N 1 0 388.555 2.187 20 0 GEADRO C[NH2+]CCCN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000435874300 648788740 /nfs/dbraw/zinc/78/87/40/648788740.db2.gz IUXYZRHKGCBNAE-UHFFFAOYSA-N 1 0 399.866 2.275 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000438792395 648804610 /nfs/dbraw/zinc/80/46/10/648804610.db2.gz MNMGYXKFYVDQGG-NSHDSACASA-N 1 0 386.265 2.469 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000438802460 648805012 /nfs/dbraw/zinc/80/50/12/648805012.db2.gz CYNWALMXDVSEDG-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000440740665 648811736 /nfs/dbraw/zinc/81/17/36/648811736.db2.gz DWNNWCHKNFVCOR-QGZVFWFLSA-N 1 0 388.917 2.129 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440745126 648812014 /nfs/dbraw/zinc/81/20/14/648812014.db2.gz HKSVAGJOUDEHAB-IUODEOHRSA-N 1 0 388.917 2.269 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440753676 648812035 /nfs/dbraw/zinc/81/20/35/648812035.db2.gz FVANKBXRRLYEHC-BFHYXJOUSA-N 1 0 390.933 2.420 20 0 GEADRO CCC(CC)(CC)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440780831 648813288 /nfs/dbraw/zinc/81/32/88/648813288.db2.gz IBDNEJLGMGHFCG-UHFFFAOYSA-N 1 0 390.571 2.269 20 0 GEADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cccc(I)c2)C1 ZINC000440821096 648814599 /nfs/dbraw/zinc/81/45/99/648814599.db2.gz ICLHYQSEFVICOR-LLVKDONJSA-N 1 0 394.278 2.041 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000440838191 648815992 /nfs/dbraw/zinc/81/59/92/648815992.db2.gz NYKMBWCVVOXUOV-TZMCWYRMSA-N 1 0 376.906 2.174 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@H](C[NH3+])C1 ZINC000440849418 648816784 /nfs/dbraw/zinc/81/67/84/648816784.db2.gz RJIUFPVDLHWSGI-UWVGGRQHSA-N 1 0 397.722 2.229 20 0 GEADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000440847806 648816805 /nfs/dbraw/zinc/81/68/05/648816805.db2.gz OSBFPIAOIPVZOG-UHFFFAOYSA-N 1 0 377.279 2.352 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000440947120 648817417 /nfs/dbraw/zinc/81/74/17/648817417.db2.gz XICMBHHYOHGJRT-YPMHNXCESA-N 1 0 398.301 2.337 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2nc(C)c(C)s2)cc1 ZINC000440852789 648817442 /nfs/dbraw/zinc/81/74/42/648817442.db2.gz YBDIZEDAZOYEHV-HOTGVXAUSA-N 1 0 381.523 2.193 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000440851483 648817468 /nfs/dbraw/zinc/81/74/68/648817468.db2.gz WCGCGFPBTIGQRU-OLZOCXBDSA-N 1 0 376.906 2.113 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000441033110 648818758 /nfs/dbraw/zinc/81/87/58/648818758.db2.gz OANOWUWRDSKKBP-NHYWBVRUSA-N 1 0 398.301 2.195 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000441542702 648831485 /nfs/dbraw/zinc/83/14/85/648831485.db2.gz FRTNFCQBSIZHBS-LLVKDONJSA-N 1 0 397.310 2.223 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000441542718 648831529 /nfs/dbraw/zinc/83/15/29/648831529.db2.gz HWTPHTFVSHYJTQ-ZDUSSCGKSA-N 1 0 393.347 2.393 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NC[C@H](C)C[NH3+] ZINC000441622084 648832809 /nfs/dbraw/zinc/83/28/09/648832809.db2.gz CRUXVFPIQSSQEZ-DOMZBBRYSA-N 1 0 399.333 2.128 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000442615394 648846720 /nfs/dbraw/zinc/84/67/20/648846720.db2.gz DEEQXFHGWUVVMD-CQSZACIVSA-N 1 0 385.555 2.124 20 0 GEADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000443103843 648862236 /nfs/dbraw/zinc/86/22/36/648862236.db2.gz SPVMIORDLWPXHR-UHFFFAOYSA-N 1 0 379.448 2.010 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000443250301 648869174 /nfs/dbraw/zinc/86/91/74/648869174.db2.gz VLOQRYXEQLTZPE-RYUDHWBXSA-N 1 0 382.507 2.449 20 0 GEADRO CN(C)CC[NH+]1CCC(CNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000548729284 651083548 /nfs/dbraw/zinc/08/35/48/651083548.db2.gz ZTGHIWFMGCSNMA-UHFFFAOYSA-N 1 0 398.345 2.087 20 0 GEADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000548787048 651086144 /nfs/dbraw/zinc/08/61/44/651086144.db2.gz ISDJYKKZVWRAIY-LKFCYVNXSA-N 1 0 384.299 2.373 20 0 GEADRO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549116612 651092125 /nfs/dbraw/zinc/09/21/25/651092125.db2.gz QZDUWHSHOWUSAT-HZPDHXFCSA-N 1 0 377.913 2.143 20 0 GEADRO O=C(CNC(=O)c1ccccc1Br)NCC[NH+]1CCCCCC1 ZINC000549531442 651098570 /nfs/dbraw/zinc/09/85/70/651098570.db2.gz JUWFPQFVSUKFQN-UHFFFAOYSA-N 1 0 382.302 2.171 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000550349167 651109620 /nfs/dbraw/zinc/10/96/20/651109620.db2.gz CYOVRRXIDIDKJF-IUODEOHRSA-N 1 0 382.302 2.179 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000550375243 651110362 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GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000551101158 651118248 /nfs/dbraw/zinc/11/82/48/651118248.db2.gz TUAJYOVBMXLTOI-UHFFFAOYSA-N 1 0 383.290 2.164 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNCc2cccc(I)c2)CC1 ZINC000551186666 651119458 /nfs/dbraw/zinc/11/94/58/651119458.db2.gz NTXNJZXVCBDTQU-INIZCTEOSA-N 1 0 388.293 2.474 20 0 GEADRO CC[C@H](Cn1cncn1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000551270769 651121722 /nfs/dbraw/zinc/12/17/22/651121722.db2.gz QEYNCNUWRNLQNS-OAHLLOKOSA-N 1 0 380.290 2.229 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000551414083 651124069 /nfs/dbraw/zinc/12/40/69/651124069.db2.gz OKJSHVKNHVZLSK-OAHLLOKOSA-N 1 0 385.555 2.069 20 0 GEADRO C[C@@H]1C[NH+](C[C@H](O)CN2CCc3ccc(Br)cc3C2)C[C@@H](C)O1 ZINC000551747598 651131400 /nfs/dbraw/zinc/13/14/00/651131400.db2.gz CWCVLOYXGMPXGY-HBUWYVDXSA-N 1 0 383.330 2.277 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000551852827 651134208 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C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C[NH+](C)C ZINC000552240255 651144642 /nfs/dbraw/zinc/14/46/42/651144642.db2.gz LLSOGTGBYULEPI-STQMWFEESA-N 1 0 382.302 2.116 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000552448949 651149882 /nfs/dbraw/zinc/14/98/82/651149882.db2.gz JYLQXTVZYPYNRW-LBPRGKRZSA-N 1 0 399.563 2.099 20 0 GEADRO C[NH+](C)CCCCC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000552658381 651154309 /nfs/dbraw/zinc/15/43/09/651154309.db2.gz DLSMAUDFNBRLPX-UHFFFAOYSA-N 1 0 380.432 2.457 20 0 GEADRO Cn1cc(Br)c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)n1 ZINC000552892807 651160811 /nfs/dbraw/zinc/16/08/11/651160811.db2.gz AORHURCPONNEOQ-ZDUSSCGKSA-N 1 0 379.258 2.002 20 0 GEADRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cnc(NC(C)=O)s1)c1ccco1 ZINC000553541726 651179766 /nfs/dbraw/zinc/17/97/66/651179766.db2.gz ADMYIKLMVQARCM-JQWIXIFHSA-N 1 0 386.499 2.102 20 0 GEADRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1cnc(NC(C)=O)s1)c1ccco1 ZINC000553541725 651179807 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CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000555181413 651219825 /nfs/dbraw/zinc/21/98/25/651219825.db2.gz HCRQYTKKEVAUPA-DOMZBBRYSA-N 1 0 399.333 2.395 20 0 GEADRO CSc1ncc(Cl)c(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000555204555 651220108 /nfs/dbraw/zinc/22/01/08/651220108.db2.gz SRNJUDYFNNSLNX-UHFFFAOYSA-N 1 0 384.933 2.426 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000555318301 651222768 /nfs/dbraw/zinc/22/27/68/651222768.db2.gz OMZBYMWBFNSBDI-INIZCTEOSA-N 1 0 376.469 2.136 20 0 GEADRO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)cn1 ZINC000555368895 651224244 /nfs/dbraw/zinc/22/42/44/651224244.db2.gz AJARGCNICQCRQK-ZDUSSCGKSA-N 1 0 383.334 2.437 20 0 GEADRO O=C(NCC[NH2+][C@@H]1CCc2cccc(Br)c2C1)c1cnccn1 ZINC000555537346 651228003 /nfs/dbraw/zinc/22/80/03/651228003.db2.gz MDBXTAXOJNSKED-CYBMUJFWSA-N 1 0 375.270 2.116 20 0 GEADRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555547599 651228671 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C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000556650358 651248854 /nfs/dbraw/zinc/24/88/54/651248854.db2.gz YGLSVXCZTGMRSS-OLZOCXBDSA-N 1 0 396.329 2.095 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000556650361 651248993 /nfs/dbraw/zinc/24/89/93/651248993.db2.gz YGLSVXCZTGMRSS-STQMWFEESA-N 1 0 396.329 2.095 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000556763395 651251592 /nfs/dbraw/zinc/25/15/92/651251592.db2.gz JHQBTZQAWFENKW-IXDOHACOSA-N 1 0 396.329 2.451 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000556770642 651251882 /nfs/dbraw/zinc/25/18/82/651251882.db2.gz IARIBNVCEJKNQR-CYBMUJFWSA-N 1 0 390.343 2.300 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000556888216 651255933 /nfs/dbraw/zinc/25/59/33/651255933.db2.gz GAPTYEOFUUWKJH-GFCCVEGCSA-N 1 0 379.302 2.401 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cn3ccc(Br)cc3n2)C[C@@H]1[NH+](C)C ZINC000556953273 651258231 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C[C@@H](NC(=O)C(=O)NCc1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000559632466 651299556 /nfs/dbraw/zinc/29/95/56/651299556.db2.gz QXSFUMMUJDSUMX-GFCCVEGCSA-N 1 0 384.318 2.158 20 0 GEADRO COCC[C@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000560181605 651304687 /nfs/dbraw/zinc/30/46/87/651304687.db2.gz DJXMMYAXKGKJLI-NHYWBVRUSA-N 1 0 390.311 2.254 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNCc1ccc(C(=O)OC)cc1Br ZINC000560244022 651305426 /nfs/dbraw/zinc/30/54/26/651305426.db2.gz SGTFZFKEAPBNAJ-HNNXBMFYSA-N 1 0 385.302 2.436 20 0 GEADRO COC(=O)c1ccc(CNC[C@@H](O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000560244459 651305502 /nfs/dbraw/zinc/30/55/02/651305502.db2.gz YJYLUHUVPORTFR-MRXNPFEDSA-N 1 0 399.329 2.418 20 0 GEADRO C[NH+](C)CCCCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000560601347 651312154 /nfs/dbraw/zinc/31/21/54/651312154.db2.gz ALURDIVZOOFIOC-UHFFFAOYSA-N 1 0 396.329 2.465 20 0 GEADRO Cc1nc(CSc2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2)cs1 ZINC000560636945 651313003 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Cn1nnc(Br)c1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000717980977 651475059 /nfs/dbraw/zinc/47/50/59/651475059.db2.gz SEZXQFSHXVRAEI-CQSZACIVSA-N 1 0 392.301 2.218 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](C)C1 ZINC000561148389 651475219 /nfs/dbraw/zinc/47/52/19/651475219.db2.gz JBBSWISQAHECRQ-BBRMVZONSA-N 1 0 394.313 2.355 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719056777 651475313 /nfs/dbraw/zinc/47/53/13/651475313.db2.gz FVDXYDZUIYGDNJ-AWEZNQCLSA-N 1 0 383.286 2.102 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905056 651475335 /nfs/dbraw/zinc/47/53/35/651475335.db2.gz FJHWZVBHVHZDBW-INIZCTEOSA-N 1 0 396.329 2.444 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(Br)c1OC ZINC000561151559 651475411 /nfs/dbraw/zinc/47/54/11/651475411.db2.gz ZKBIJRINPDBNFE-TZMCWYRMSA-N 1 0 398.301 2.360 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642904407 651475425 /nfs/dbraw/zinc/47/54/25/651475425.db2.gz VTBIZTXTKSZIEB-OAHLLOKOSA-N 1 0 396.329 2.446 20 0 GEADRO CC(C)(CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1Br ZINC000561189737 651476400 /nfs/dbraw/zinc/47/64/00/651476400.db2.gz GVPUPVLIHZCLKQ-CYBMUJFWSA-N 1 0 384.318 2.404 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(I)ccc1O ZINC000720847368 651476387 /nfs/dbraw/zinc/47/63/87/651476387.db2.gz YGWNHCAUCWIYOY-QWHCGFSZSA-N 1 0 386.233 2.306 20 0 GEADRO CO[C@]1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CCS(=O)(=O)C1 ZINC000721154619 651476639 /nfs/dbraw/zinc/47/66/39/651476639.db2.gz QBVNVILWQAQGCM-MFKMUULPSA-N 1 0 380.329 2.291 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643069252 651477410 /nfs/dbraw/zinc/47/74/10/651477410.db2.gz QFAFYJRXHKGGAI-UKPHBRMFSA-N 1 0 380.330 2.480 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000643081341 651477533 /nfs/dbraw/zinc/47/75/33/651477533.db2.gz JCKVVFHNGBZBRF-ULQDDVLXSA-N 1 0 396.329 2.194 20 0 GEADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH2+][C@H]2CCCSCC2)C1 ZINC000721808548 651477544 /nfs/dbraw/zinc/47/75/44/651477544.db2.gz VAZWCBVDXRRRNC-GJZGRUSLSA-N 1 0 392.587 2.286 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000561283794 651477574 /nfs/dbraw/zinc/47/75/74/651477574.db2.gz CUNBJMMWMUFPPG-ZIAGYGMSSA-N 1 0 386.901 2.422 20 0 GEADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+][C@@H]2CCCSCC2)C1 ZINC000721808549 651477611 /nfs/dbraw/zinc/47/76/11/651477611.db2.gz VAZWCBVDXRRRNC-HUUCEWRRSA-N 1 0 392.587 2.286 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000643095905 651477762 /nfs/dbraw/zinc/47/77/62/651477762.db2.gz DCVLZULHZRMYCY-RHSMWYFYSA-N 1 0 388.917 2.256 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000561625338 651481971 /nfs/dbraw/zinc/48/19/71/651481971.db2.gz FHMWKJDZMOPDIM-GJZGRUSLSA-N 1 0 380.286 2.155 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000643375383 651484825 /nfs/dbraw/zinc/48/48/25/651484825.db2.gz MRDPNMYHPHNCED-UHFFFAOYSA-N 1 0 385.961 2.320 20 0 GEADRO C[C@H](Cc1ccsc1)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000643383963 651485126 /nfs/dbraw/zinc/48/51/26/651485126.db2.gz LUWREQXHCBXTGB-CQSZACIVSA-N 1 0 379.551 2.447 20 0 GEADRO CCOC(=O)COc1ccc(C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000561968655 651486059 /nfs/dbraw/zinc/48/60/59/651486059.db2.gz OMEOARBVPNZJMC-UHFFFAOYSA-N 1 0 382.258 2.377 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000603377245 651486971 /nfs/dbraw/zinc/48/69/71/651486971.db2.gz AZEBWVCVXLINEZ-UHFFFAOYSA-N 1 0 386.901 2.233 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@H]3COCCN3)nc12 ZINC000643480757 651488648 /nfs/dbraw/zinc/48/86/48/651488648.db2.gz BKMBAWGGIOKDOL-CJNGLKHVSA-N 1 0 381.318 2.304 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2csc(Br)c2)CC[C@H]1[NH3+] ZINC000643494878 651489049 /nfs/dbraw/zinc/48/90/49/651489049.db2.gz WFBCZBWRFFLMOE-NWDGAFQWSA-N 1 0 388.331 2.055 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N(CC)Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000643487682 651489191 /nfs/dbraw/zinc/48/91/91/651489191.db2.gz GCNRXGCEYGBKRC-GOEBONIOSA-N 1 0 396.329 2.383 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000643539044 651489411 /nfs/dbraw/zinc/48/94/11/651489411.db2.gz URHDJWSDOBZFSG-BBRMVZONSA-N 1 0 396.329 2.302 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CCC[C@H]2c2ccccc2Br)nn1 ZINC000643510977 651489572 /nfs/dbraw/zinc/48/95/72/651489572.db2.gz GLHNMLGDJLLKNJ-HNNXBMFYSA-N 1 0 378.274 2.367 20 0 GEADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ncc(I)s1 ZINC000603430823 651491058 /nfs/dbraw/zinc/49/10/58/651491058.db2.gz DAZHPZTYCBQGAZ-UHFFFAOYSA-N 1 0 391.278 2.494 20 0 GEADRO Cc1cc(C)c(CNC(=O)NCCn2cc(Br)ccc2=O)cn1 ZINC000562883392 651502397 /nfs/dbraw/zinc/50/23/97/651502397.db2.gz QNNKLNFWBHMLLO-UHFFFAOYSA-N 1 0 379.258 2.122 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)C3(C[NH3+])CCCC3)C2=O)ccc1Br ZINC000562976663 651504697 /nfs/dbraw/zinc/50/46/97/651504697.db2.gz QOVOIEQPGRPWTI-HNNXBMFYSA-N 1 0 394.313 2.498 20 0 GEADRO CO[C@@H]1COC[C@H]1[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000563086476 651508973 /nfs/dbraw/zinc/50/89/73/651508973.db2.gz ZNFQBEQEQIUAOU-ARFHVFGLSA-N 1 0 383.286 2.256 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000563095265 651509571 /nfs/dbraw/zinc/50/95/71/651509571.db2.gz NOSGHYTZNBMJEE-LBPRGKRZSA-N 1 0 397.298 2.210 20 0 GEADRO O=C(NCCCNC(=O)[C@H]1CCCCC[NH2+]1)c1cccc(Br)c1 ZINC000563149615 651512570 /nfs/dbraw/zinc/51/25/70/651512570.db2.gz KGLYVWZQMXTAHT-OAHLLOKOSA-N 1 0 382.302 2.217 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000643971033 651512757 /nfs/dbraw/zinc/51/27/57/651512757.db2.gz STHVTYNVBRTEAM-CHWSQXEVSA-N 1 0 385.555 2.098 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644008745 651514227 /nfs/dbraw/zinc/51/42/27/651514227.db2.gz AYEUEONGRYASOT-JTQLQIEISA-N 1 0 390.228 2.091 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000563209742 651516620 /nfs/dbraw/zinc/51/66/20/651516620.db2.gz XLWBHNGVTHWNEN-JOQOYGCGSA-N 1 0 378.314 2.406 20 0 GEADRO C[C@@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H]1C[NH3+] ZINC000644063466 651518900 /nfs/dbraw/zinc/51/89/00/651518900.db2.gz ATGSDDKQAVZKLH-RISCZKNCSA-N 1 0 383.286 2.349 20 0 GEADRO C[C@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H]1C[NH3+] ZINC000644063467 651519033 /nfs/dbraw/zinc/51/90/33/651519033.db2.gz ATGSDDKQAVZKLH-SMDDNHRTSA-N 1 0 383.286 2.349 20 0 GEADRO C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CN2CC[C@@H]([NH+]3CCCC3)C2)C1=O ZINC000727424854 651519627 /nfs/dbraw/zinc/51/96/27/651519627.db2.gz PUEWONVYSCHALD-PXAZEXFGSA-N 1 0 382.917 2.296 20 0 GEADRO C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CC[NH+](CC3CC3)CC2)C1=O ZINC000727420340 651519645 /nfs/dbraw/zinc/51/96/45/651519645.db2.gz LTEMYQWUWDNZFR-QGZVFWFLSA-N 1 0 382.917 2.154 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000644132786 651522624 /nfs/dbraw/zinc/52/26/24/651522624.db2.gz JNJCQLJQCYKMCN-DZGCQCFKSA-N 1 0 394.313 2.450 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000644150896 651523528 /nfs/dbraw/zinc/52/35/28/651523528.db2.gz YBPGMYWRRARZEH-PRHODGIISA-N 1 0 375.263 2.233 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644153588 651523565 /nfs/dbraw/zinc/52/35/65/651523565.db2.gz XJHFMFLAMFSXOH-GWCFXTLKSA-N 1 0 392.233 2.460 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000563494647 651526833 /nfs/dbraw/zinc/52/68/33/651526833.db2.gz HZQSAKVYNHYGHI-UHFFFAOYSA-N 1 0 378.274 2.756 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@@H](C)S1 ZINC000563510207 651527833 /nfs/dbraw/zinc/52/78/33/651527833.db2.gz ZPJVIVMDXVDIEK-RBSFLKMASA-N 1 0 381.567 2.354 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000563532545 651530706 /nfs/dbraw/zinc/53/07/06/651530706.db2.gz RWWNBHFXTVBLTD-HZPDHXFCSA-N 1 0 384.318 2.018 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)c(F)cc3F)[C@@H]2C1 ZINC000644297515 651531978 /nfs/dbraw/zinc/53/19/78/651531978.db2.gz AOQFZTUCTCPRKV-PRHODGIISA-N 1 0 381.242 2.052 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000563660761 651535627 /nfs/dbraw/zinc/53/56/27/651535627.db2.gz OFSBKBSJHMRABZ-UHFFFAOYSA-N 1 0 396.329 2.271 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000605521155 651538108 /nfs/dbraw/zinc/53/81/08/651538108.db2.gz PEZKHCXQBHXRSV-GFCCVEGCSA-N 1 0 386.290 2.105 20 0 GEADRO CN(C1CC1)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000605583654 651540085 /nfs/dbraw/zinc/54/00/85/651540085.db2.gz FTIYHGCTZCRBMP-UHFFFAOYSA-N 1 0 379.448 2.408 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000605855374 651544853 /nfs/dbraw/zinc/54/48/53/651544853.db2.gz UOPQEYJBIUROCD-CZUORRHYSA-N 1 0 384.318 2.400 20 0 GEADRO O=C(N[C@H](c1nccs1)C(F)(F)F)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000644442970 651545352 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COc1ccc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1Br ZINC000646271489 651685027 /nfs/dbraw/zinc/68/50/27/651685027.db2.gz CWWMGOHOCHKNEZ-NSHDSACASA-N 1 0 399.289 2.041 20 0 GEADRO CC(=O)NCc1ccc(-c2nc([C@]3(NC(C)=O)CC[NH2+]C3)sc2C)s1 ZINC000568866328 651685429 /nfs/dbraw/zinc/68/54/29/651685429.db2.gz IXCAPBMNJGOHQZ-KRWDZBQOSA-N 1 0 378.523 2.141 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)C1C[C@@H]3C[NH2+]C[C@H](C1)C3=O)CC2 ZINC000646292059 651686514 /nfs/dbraw/zinc/68/65/14/651686514.db2.gz DGKRLDROXOAEGA-GOOCMWNKSA-N 1 0 391.309 2.457 20 0 GEADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cncc(Br)c1 ZINC000568883859 651686865 /nfs/dbraw/zinc/68/68/65/651686865.db2.gz WJHVKXPAKFQKGN-NSHDSACASA-N 1 0 376.320 2.166 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646345208 651690865 /nfs/dbraw/zinc/69/08/65/651690865.db2.gz NSBFQBBSGFABDN-XJKCOSOUSA-N 1 0 392.297 2.012 20 0 GEADRO O=C(CCCc1cccc(Br)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646351787 651691349 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CSc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)cn1 ZINC000569448285 651714288 /nfs/dbraw/zinc/71/42/88/651714288.db2.gz HYZABTKBJRDDDJ-UHFFFAOYSA-N 1 0 378.523 2.394 20 0 GEADRO CC(C)NC(=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000569568807 651717057 /nfs/dbraw/zinc/71/70/57/651717057.db2.gz PGMGGEDYKJRXFI-LBPRGKRZSA-N 1 0 393.709 2.347 20 0 GEADRO O=c1cc(C[N@H+]2CCC[C@H](CCO)CC2)nc2ccc(Br)cn12 ZINC000569588251 651718806 /nfs/dbraw/zinc/71/88/06/651718806.db2.gz XFFWPRCRBWHYLJ-ZDUSSCGKSA-N 1 0 380.286 2.442 20 0 GEADRO C[C@H]1CN(C(=O)c2ncc(Br)cc2Br)C[C@H](C)[NH2+]1 ZINC000569595157 651719641 /nfs/dbraw/zinc/71/96/41/651719641.db2.gz MTGLVIMCYTXPBN-YUMQZZPRSA-N 1 0 377.080 2.429 20 0 GEADRO [NH3+][C@H](CC(F)F)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000569602584 651720058 /nfs/dbraw/zinc/72/00/58/651720058.db2.gz CCLFKVLOLCQWFF-CYBMUJFWSA-N 1 0 394.235 2.215 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646837327 651722610 /nfs/dbraw/zinc/72/26/10/651722610.db2.gz ZWHVRTMAFLQDGI-ZYHUDNBSSA-N 1 0 396.285 2.067 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CCO1 ZINC000646846396 651723681 /nfs/dbraw/zinc/72/36/81/651723681.db2.gz RPFKKGHUTIWGGS-BXUZGUMPSA-N 1 0 378.885 2.469 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CCO1 ZINC000646846399 651723707 /nfs/dbraw/zinc/72/37/07/651723707.db2.gz RPFKKGHUTIWGGS-FZMZJTMJSA-N 1 0 378.885 2.469 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000646857570 651724722 /nfs/dbraw/zinc/72/47/22/651724722.db2.gz FVVZXGLYVABJIE-UHFFFAOYSA-N 1 0 381.274 2.445 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(F)c(F)c(F)c1 ZINC000569798555 651724826 /nfs/dbraw/zinc/72/48/26/651724826.db2.gz PNKBNEXUTCGEEG-AAEUAGOBSA-N 1 0 379.448 2.415 20 0 GEADRO C[N@@H+]1CCCN(CCCNC(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000733885790 651727664 /nfs/dbraw/zinc/72/76/64/651727664.db2.gz SWOMXUMZJYXDKW-UHFFFAOYSA-N 1 0 376.448 2.451 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)[C@H]2C1 ZINC000646930578 651728390 /nfs/dbraw/zinc/72/83/90/651728390.db2.gz JMPIGJUKIYDCNJ-BMIGLBTASA-N 1 0 376.254 2.067 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000569848830 651728590 /nfs/dbraw/zinc/72/85/90/651728590.db2.gz ZCGLKIZBANGBIY-WMZOPIPTSA-N 1 0 383.583 2.268 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000646938033 651729680 /nfs/dbraw/zinc/72/96/80/651729680.db2.gz XXGIXOMJPOPIKL-AAEUAGOBSA-N 1 0 377.897 2.447 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646983983 651731768 /nfs/dbraw/zinc/73/17/68/651731768.db2.gz ACQRMAKXWPYCQT-CJNGLKHVSA-N 1 0 396.329 2.462 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647077508 651733176 /nfs/dbraw/zinc/73/31/76/651733176.db2.gz LOCOHXPPTCFCNH-ZBFHGGJFSA-N 1 0 394.313 2.450 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC(C[NH3+])CC3)cc21 ZINC000647188531 651734489 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CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(C[S@](=O)CCOC)c1 ZINC000734988093 651762195 /nfs/dbraw/zinc/76/21/95/651762195.db2.gz ROCQRMHKUQYCAU-SSOJOUAXSA-N 1 0 383.583 2.352 20 0 GEADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000570365295 651763050 /nfs/dbraw/zinc/76/30/50/651763050.db2.gz GGRLSXZGIWLKNA-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CCO1 ZINC000647877640 651764182 /nfs/dbraw/zinc/76/41/82/651764182.db2.gz YIYIGHYKZNMPKD-CJNGLKHVSA-N 1 0 397.313 2.072 20 0 GEADRO CC[C@@H]1CN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647937919 651767270 /nfs/dbraw/zinc/76/72/70/651767270.db2.gz DWESHDNLHGFRLE-RHSMWYFYSA-N 1 0 398.345 2.346 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c1 ZINC000570450631 651768419 /nfs/dbraw/zinc/76/84/19/651768419.db2.gz NJHVPPCCOKPRDS-UHFFFAOYSA-N 1 0 376.320 2.017 20 0 GEADRO CC(C)(NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccc(Br)cc1 ZINC000647994121 651769124 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C[C@]1(NC(=O)NCc2c(Br)cncc2Br)CC[NH2+]C1 ZINC000612908326 651775634 /nfs/dbraw/zinc/77/56/34/651775634.db2.gz FFOLTFGOOAKUIX-LBPRGKRZSA-N 1 0 392.095 2.158 20 0 GEADRO C[C@@]1(NC(=O)NCc2c(Br)cncc2Br)CC[NH2+]C1 ZINC000612908325 651775654 /nfs/dbraw/zinc/77/56/54/651775654.db2.gz FFOLTFGOOAKUIX-GFCCVEGCSA-N 1 0 392.095 2.158 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CCC[C@H](C[NH3+])C2)cc1OC ZINC000570665957 651781659 /nfs/dbraw/zinc/78/16/59/651781659.db2.gz OFUAPVAJMBDSAB-LLVKDONJSA-N 1 0 386.290 2.347 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000570667676 651782377 /nfs/dbraw/zinc/78/23/77/651782377.db2.gz SCUQCIVBPYMUMJ-PWSUYJOCSA-N 1 0 391.693 2.365 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CC1CCCC1)c1ccc(F)cc1Cl ZINC000570676310 651782846 /nfs/dbraw/zinc/78/28/46/651782846.db2.gz KIACGICUVLHFIM-AWEZNQCLSA-N 1 0 378.897 2.288 20 0 GEADRO O=C(CC[NH2+][C@H](CO)Cc1cccnc1)Nc1cccc(Br)c1 ZINC000570683347 651783680 /nfs/dbraw/zinc/78/36/80/651783680.db2.gz 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[NH3+]C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000570909391 651799644 /nfs/dbraw/zinc/79/96/44/651799644.db2.gz WCTYNGNITYHLER-LBPRGKRZSA-N 1 0 378.274 2.837 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(Br)c1OC ZINC000648769864 651800470 /nfs/dbraw/zinc/80/04/70/651800470.db2.gz LKBVWULMHAAUMH-LLVKDONJSA-N 1 0 389.265 2.437 20 0 GEADRO CN(C(=O)NCCSCC(F)(F)F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000613862830 651800534 /nfs/dbraw/zinc/80/05/34/651800534.db2.gz ZJSKRRODLMTIQO-AWEZNQCLSA-N 1 0 382.496 2.092 20 0 GEADRO C[C@H](CC(=O)N1CCC(OCC[NH+](C)C)CC1)n1cc(Br)cn1 ZINC000648780896 651802044 /nfs/dbraw/zinc/80/20/44/651802044.db2.gz FLAXFKQRTZILSK-CYBMUJFWSA-N 1 0 387.322 2.166 20 0 GEADRO C[C@H](CNC(=O)c1cc2c(cncc2Br)s1)N1CC[NH+](C)CC1 ZINC000648783241 651802543 /nfs/dbraw/zinc/80/25/43/651802543.db2.gz VRTBYMOSDXEJCI-LLVKDONJSA-N 1 0 397.342 2.425 20 0 GEADRO CCCN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@@H]1CC[N@H+](C)C1 ZINC000648997860 651810575 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O[C@H](C[NH2+]C[C@H](O)COc1ccccc1)COc1ccc(Br)cc1 ZINC000571314017 651825342 /nfs/dbraw/zinc/82/53/42/651825342.db2.gz CFBJFUWYWLRBDE-JKSUJKDBSA-N 1 0 396.281 2.218 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000736666819 651830188 /nfs/dbraw/zinc/83/01/88/651830188.db2.gz XAVOCXCONQBUEB-DOMZBBRYSA-N 1 0 376.284 2.047 20 0 GEADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000571416368 651831290 /nfs/dbraw/zinc/83/12/90/651831290.db2.gz JTJKWZSOQFZNDI-SFHVURJKSA-N 1 0 379.913 2.455 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000571742094 651850912 /nfs/dbraw/zinc/85/09/12/651850912.db2.gz GYEHGGDHDCBDAQ-IAQYHMDHSA-N 1 0 392.297 2.475 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1=O ZINC000650305190 651855095 /nfs/dbraw/zinc/85/50/95/651855095.db2.gz MPGNUGIOQWUQSH-HUUCEWRRSA-N 1 0 384.307 2.329 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000615265480 651858690 /nfs/dbraw/zinc/85/86/90/651858690.db2.gz IYRXXXPKRLDTEQ-JKSUJKDBSA-N 1 0 394.313 2.197 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000571874357 651858880 /nfs/dbraw/zinc/85/88/80/651858880.db2.gz FKVAILLVIUBSCZ-KRWDZBQOSA-N 1 0 382.913 2.284 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)[C@H](C)[NH3+] ZINC000571880581 651859419 /nfs/dbraw/zinc/85/94/19/651859419.db2.gz GPPBVQCFSBVKEJ-OUCADQQQSA-N 1 0 376.906 2.302 20 0 GEADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)[C@H](C(F)(F)F)C1 ZINC000571888942 651859729 /nfs/dbraw/zinc/85/97/29/651859729.db2.gz WAPYSTXZGOVYLH-BREBYQMCSA-N 1 0 376.341 2.421 20 0 GEADRO CO[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C)c1ccccc1Br ZINC000615276057 651859766 /nfs/dbraw/zinc/85/97/66/651859766.db2.gz PRYHEAUEPHYZNM-ZACQAIPSSA-N 1 0 397.313 2.458 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000615278245 651859892 /nfs/dbraw/zinc/85/98/92/651859892.db2.gz AZVWYGAYRUBOSP-UHFFFAOYSA-N 1 0 396.329 2.086 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)CCc3cccc(F)c3Br)C2)CC1 ZINC000615278315 651860029 /nfs/dbraw/zinc/86/00/29/651860029.db2.gz DJCYZESAYAQEMZ-UHFFFAOYSA-N 1 0 398.320 2.227 20 0 GEADRO C[C@@H]1CN(CC[NH2+]Cc2c(Br)cncc2Br)CCO1 ZINC000571935185 651862475 /nfs/dbraw/zinc/86/24/75/651862475.db2.gz OACFGADUIXVFMG-SNVBAGLBSA-N 1 0 393.123 2.417 20 0 GEADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnn3cc(Br)cnc13)C2 ZINC000615604846 651869014 /nfs/dbraw/zinc/86/90/14/651869014.db2.gz GKNDYAKBNNPWBO-MRXNPFEDSA-N 1 0 378.274 2.050 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000572036021 651869256 /nfs/dbraw/zinc/86/92/56/651869256.db2.gz BVDGQDSMFZOAHD-NSHDSACASA-N 1 0 386.196 2.430 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651023238 651869366 /nfs/dbraw/zinc/86/93/66/651869366.db2.gz IDWUYCCJBRNMGP-HNNXBMFYSA-N 1 0 396.329 2.069 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C(F)(F)F)n1 ZINC000738000309 651872899 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DRDXGHPPVNXJAY-ZDUSSCGKSA-N 1 0 397.248 2.685 20 0 GEADRO CCO[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)C[C@H]1C[NH3+] ZINC000653245536 651936710 /nfs/dbraw/zinc/93/67/10/651936710.db2.gz BFDYLXCRRMOBAK-XJKCOSOUSA-N 1 0 385.302 2.347 20 0 GEADRO C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)n1cc(Br)cn1 ZINC000653258395 651937291 /nfs/dbraw/zinc/93/72/91/651937291.db2.gz IFNHQJHUKQYTFI-BVUBDWEXSA-N 1 0 399.333 2.484 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000653262930 651937939 /nfs/dbraw/zinc/93/79/39/651937939.db2.gz JOHIAIZDWQYWEW-KWCYVHTRSA-N 1 0 384.274 2.051 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000653279224 651938679 /nfs/dbraw/zinc/93/86/79/651938679.db2.gz PZECCHMYMKFJOG-QWRGUYRKSA-N 1 0 386.315 2.441 20 0 GEADRO O=S(=O)(CC[NH+]1CCCC1)NCCc1cnc(SC2CCCC2)nc1 ZINC000573224196 651942713 /nfs/dbraw/zinc/94/27/13/651942713.db2.gz WBGQSNFOGGHJTR-UHFFFAOYSA-N 1 0 384.571 2.069 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000653362150 651942895 /nfs/dbraw/zinc/94/28/95/651942895.db2.gz FLRRQSXEYUNJMT-UHFFFAOYSA-N 1 0 382.302 2.010 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000573245973 651944338 /nfs/dbraw/zinc/94/43/38/651944338.db2.gz GWQAXRSZOYLQCH-CABCVRRESA-N 1 0 394.313 2.027 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000617415897 651945257 /nfs/dbraw/zinc/94/52/57/651945257.db2.gz TWLYGYYFQDPRPL-HIFRSBDPSA-N 1 0 380.286 2.012 20 0 GEADRO CSC[C@H](CCO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000573324239 651947608 /nfs/dbraw/zinc/94/76/08/651947608.db2.gz KWGMINFGAFZKPJ-STQMWFEESA-N 1 0 382.295 2.032 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000653585124 651949112 /nfs/dbraw/zinc/94/91/12/651949112.db2.gz YMHKUJVTSZJLJB-LSDHHAIUSA-N 1 0 383.290 2.215 20 0 GEADRO CN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@@H]1CCC[N@H+](C)C1 ZINC000741625811 651954547 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C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000654583692 651964900 /nfs/dbraw/zinc/96/49/00/651964900.db2.gz GOAWOONGZGVQIZ-CQSZACIVSA-N 1 0 393.285 2.461 20 0 GEADRO C[C@H](CCNC(=O)CCN1C(=O)COc2cc(Br)ccc21)[NH+](C)C ZINC000617749620 651970425 /nfs/dbraw/zinc/97/04/25/651970425.db2.gz OMHNGSMQCIMQKO-GFCCVEGCSA-N 1 0 398.301 2.021 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000617763106 651970742 /nfs/dbraw/zinc/97/07/42/651970742.db2.gz FKVCRXPLRGDTFA-KRWDZBQOSA-N 1 0 382.346 2.479 20 0 GEADRO C[C@@H](CCNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1)[NH+](C)C ZINC000617757786 651970805 /nfs/dbraw/zinc/97/08/05/651970805.db2.gz AOKUZBUWSOJKQR-JTQLQIEISA-N 1 0 381.420 2.147 20 0 GEADRO CO[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)c1ccccc1Br ZINC000617763526 651970954 /nfs/dbraw/zinc/97/09/54/651970954.db2.gz TZELXLXDEIQYCU-MRXNPFEDSA-N 1 0 386.334 2.136 20 0 GEADRO CO[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccccc1Br ZINC000655017506 651971243 /nfs/dbraw/zinc/97/12/43/651971243.db2.gz NUROFIYJHWVOJQ-CZUORRHYSA-N 1 0 399.329 2.440 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000617768107 651971585 /nfs/dbraw/zinc/97/15/85/651971585.db2.gz PERREEJXDNNZBT-UHFFFAOYSA-N 1 0 396.329 2.225 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000617768145 651971740 /nfs/dbraw/zinc/97/17/40/651971740.db2.gz QRMDCYDPDRLDFL-UHFFFAOYSA-N 1 0 382.346 2.480 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)nc3sccn32)[C@H](C)C1 ZINC000742303893 651977051 /nfs/dbraw/zinc/97/70/51/651977051.db2.gz MVZQPMARAADIBW-GHMZBOCLSA-N 1 0 376.935 2.400 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C1CCC1 ZINC000573799021 651979393 /nfs/dbraw/zinc/97/93/93/651979393.db2.gz WKUYYNSUHZUPRH-IUODEOHRSA-N 1 0 395.301 2.149 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)/C=C\c1ccccc1Br ZINC000742313472 651979863 /nfs/dbraw/zinc/97/98/63/651979863.db2.gz PGTFIEAUSBDVFE-JYRVWZFOSA-N 1 0 391.331 2.308 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1Br ZINC000655135066 651980297 /nfs/dbraw/zinc/98/02/97/651980297.db2.gz AMLXZLJZGVFQCA-BBRMVZONSA-N 1 0 383.330 2.367 20 0 GEADRO CC[NH+]1CCC(CNC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000742367394 651986273 /nfs/dbraw/zinc/98/62/73/651986273.db2.gz XMTVMRWEPWKWJF-UHFFFAOYSA-N 1 0 392.301 2.492 20 0 GEADRO O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCc2sc(Cl)cc2C1 ZINC000573921110 651988727 /nfs/dbraw/zinc/98/87/27/651988727.db2.gz JBNCNRAUDGPNMB-QWHCGFSZSA-N 1 0 381.929 2.134 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N(C)CC1C[NH+](C)C1)c1ccc(Br)cc1 ZINC000618196639 651995903 /nfs/dbraw/zinc/99/59/03/651995903.db2.gz FXYLAZUCEPZFRW-INIZCTEOSA-N 1 0 382.302 2.036 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618197601 651995969 /nfs/dbraw/zinc/99/59/69/651995969.db2.gz RFKIUZRBJFTAJZ-MRXNPFEDSA-N 1 0 396.329 2.224 20 0 GEADRO CN(C(=O)COc1ccc(C=O)cc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000742663621 651996222 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Cc1c(Br)cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(=O)n1C ZINC000576325840 652106540 /nfs/dbraw/zinc/10/65/40/652106540.db2.gz ILQKONHQEFWIAD-UHFFFAOYSA-N 1 0 384.318 2.403 20 0 GEADRO C[C@H](CCNS(=O)(=O)c1cc(N(C)C)ccc1Br)[NH+](C)C ZINC000657091151 652110567 /nfs/dbraw/zinc/11/05/67/652110567.db2.gz MDVFVVUPELBRSF-LLVKDONJSA-N 1 0 378.336 2.134 20 0 GEADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000657091247 652110690 /nfs/dbraw/zinc/11/06/90/652110690.db2.gz KYBIGHWAZATGSW-UHFFFAOYSA-N 1 0 381.464 2.008 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000657092284 652111798 /nfs/dbraw/zinc/11/17/98/652111798.db2.gz SFBFMXSAYBBUOV-LLVKDONJSA-N 1 0 379.320 2.385 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000746524728 652113155 /nfs/dbraw/zinc/11/31/55/652113155.db2.gz DWRVWBNZPMZALL-CYBMUJFWSA-N 1 0 392.301 2.492 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000576400377 652114369 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Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C2 ZINC000577172520 652167643 /nfs/dbraw/zinc/16/76/43/652167643.db2.gz YOGNLYBDAWPANI-HOTGVXAUSA-N 1 0 392.297 2.434 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CCSc3ccc(Cl)cc31)C2 ZINC000621839959 652168583 /nfs/dbraw/zinc/16/85/83/652168583.db2.gz BBOLAGXWKBZEQK-MIUNTBIASA-N 1 0 379.913 2.333 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000657546025 652171839 /nfs/dbraw/zinc/17/18/39/652171839.db2.gz MGYCCMLKUUFZTJ-UHFFFAOYSA-N 1 0 390.299 2.482 20 0 GEADRO COc1cccc(OC)c1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657562022 652173207 /nfs/dbraw/zinc/17/32/07/652173207.db2.gz FICJXENYDRYWQT-UHFFFAOYSA-N 1 0 394.269 2.381 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)cc21 ZINC000622014783 652175032 /nfs/dbraw/zinc/17/50/32/652175032.db2.gz KMPSQZDZHNLRMC-ZBEGNZNMSA-N 1 0 398.326 2.443 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622014639 652175074 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CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000657706939 652194209 /nfs/dbraw/zinc/19/42/09/652194209.db2.gz FWJPJNJWVLCXQZ-XZJROXQQSA-N 1 0 397.313 2.356 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2F)C[N@@H+]1C1CC1 ZINC000657722917 652196052 /nfs/dbraw/zinc/19/60/52/652196052.db2.gz LOPJDVHUQNYRAW-NXEZZACHSA-N 1 0 384.249 2.268 20 0 GEADRO Cc1nnc(COCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000622675970 652197985 /nfs/dbraw/zinc/19/79/85/652197985.db2.gz HKDUOLAZZWYZDL-UHFFFAOYSA-N 1 0 380.436 2.238 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)sc1C(F)(F)F ZINC000577580477 652198008 /nfs/dbraw/zinc/19/80/08/652198008.db2.gz JYKYOUJLRYZOHE-SNVBAGLBSA-N 1 0 378.420 2.350 20 0 GEADRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000577607960 652201408 /nfs/dbraw/zinc/20/14/08/652201408.db2.gz KUXAVDYBZDUGGY-AWEZNQCLSA-N 1 0 393.285 2.386 20 0 GEADRO Cc1cc(NC(=O)CNC(=S)NC2CC[NH+](C)CC2)ccc1Br ZINC000748589255 652206994 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GEADRO CC[NH+]1CCC(N(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000748706659 652212630 /nfs/dbraw/zinc/21/26/30/652212630.db2.gz KZSBNGQJMFXTOV-UHFFFAOYSA-N 1 0 387.933 2.147 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748711086 652213437 /nfs/dbraw/zinc/21/34/37/652213437.db2.gz IXKXFIDVAKNHPJ-CYBMUJFWSA-N 1 0 387.933 2.195 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000657886360 652213777 /nfs/dbraw/zinc/21/37/77/652213777.db2.gz DYYLQKSTBPYPOX-HNNXBMFYSA-N 1 0 390.343 2.300 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cncc(Br)c1 ZINC000657926647 652217203 /nfs/dbraw/zinc/21/72/03/652217203.db2.gz NLUZLLHKONCMOI-LLVKDONJSA-N 1 0 388.331 2.451 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623024288 652217439 /nfs/dbraw/zinc/21/74/39/652217439.db2.gz KPGOKMAEUFEQTG-UHFFFAOYSA-N 1 0 395.305 2.229 20 0 GEADRO CSc1ccc(Cl)c(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)c1 ZINC000657957948 652221685 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20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000623757779 652258539 /nfs/dbraw/zinc/25/85/39/652258539.db2.gz CMGUVWFTZGHJCO-MRXNPFEDSA-N 1 0 387.318 2.021 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000623764644 652259349 /nfs/dbraw/zinc/25/93/49/652259349.db2.gz IBZVPRDETBUUKH-VXGBXAGGSA-N 1 0 395.091 2.460 20 0 GEADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000658379642 652260691 /nfs/dbraw/zinc/26/06/91/652260691.db2.gz VNTMGWHKUJHAOL-OAHLLOKOSA-N 1 0 378.416 2.491 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000578315986 652261218 /nfs/dbraw/zinc/26/12/18/652261218.db2.gz ITQIHPAYVSLQQA-KGLIPLIRSA-N 1 0 385.302 2.322 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000658382475 652261962 /nfs/dbraw/zinc/26/19/62/652261962.db2.gz LVFWYGSYLFUGMA-ZJUUUORDSA-N 1 0 395.294 2.202 20 0 GEADRO O[C@H]1CCN(CC[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000623837750 652264003 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CN(C)S(=O)(=O)c1cccc(NC(=S)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000749829749 652269260 /nfs/dbraw/zinc/26/92/60/652269260.db2.gz YCEOORLBVVZYFH-UKRRQHHQSA-N 1 0 384.571 2.096 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658426028 652269683 /nfs/dbraw/zinc/26/96/83/652269683.db2.gz FNXBVMJXIFMJCU-CQSZACIVSA-N 1 0 396.329 2.397 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658426178 652269843 /nfs/dbraw/zinc/26/98/43/652269843.db2.gz JAECERWTPWNKLB-LLVKDONJSA-N 1 0 386.290 2.161 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)ccc1S(C)(=O)=O ZINC000624095769 652270032 /nfs/dbraw/zinc/27/00/32/652270032.db2.gz MDXBOZQOWLPYOW-GXTWGEPZSA-N 1 0 376.469 2.479 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N(C)C(C)(C)C[NH+]3CCCC3)cnc2c1Cl ZINC000578424660 652271059 /nfs/dbraw/zinc/27/10/59/652271059.db2.gz FVSLADJWNPRGEB-UHFFFAOYSA-N 1 0 385.921 2.186 20 0 GEADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000624137989 652273224 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GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000624380884 652285796 /nfs/dbraw/zinc/28/57/96/652285796.db2.gz VZGKNUSDYZPKAJ-CQSZACIVSA-N 1 0 389.315 2.411 20 0 GEADRO CCN(CC[NH3+])S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000624382217 652285849 /nfs/dbraw/zinc/28/58/49/652285849.db2.gz SLAYDNKDJUBZNE-CQSZACIVSA-N 1 0 376.906 2.257 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000624390605 652286686 /nfs/dbraw/zinc/28/66/86/652286686.db2.gz DYNXCJIRUYGTEB-KOLCDFICSA-N 1 0 386.823 2.496 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)CC[C@@H]1C(F)(F)F ZINC000624390710 652287068 /nfs/dbraw/zinc/28/70/68/652287068.db2.gz GQGLMSHHIODAKX-KOLCDFICSA-N 1 0 379.429 2.444 20 0 GEADRO COc1c(C)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000624391066 652287705 /nfs/dbraw/zinc/28/77/05/652287705.db2.gz PCPADCSKNYGSDX-OCCSQVGLSA-N 1 0 380.432 2.460 20 0 GEADRO O=S(=O)(CC[NH2+]CCCc1c(F)cccc1Cl)NC[C@H]1CCCCO1 ZINC000578721492 652287851 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376.906 2.173 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC000624404498 652291043 /nfs/dbraw/zinc/29/10/43/652291043.db2.gz QXTKFIAAPGAJMT-WDEREUQCSA-N 1 0 397.324 2.437 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000578769687 652292108 /nfs/dbraw/zinc/29/21/08/652292108.db2.gz ZSRITFXEGNBKDK-GHMZBOCLSA-N 1 0 384.832 2.068 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000624414374 652292243 /nfs/dbraw/zinc/29/22/43/652292243.db2.gz KYSUZZCVNUSTSL-CMPLNLGQSA-N 1 0 377.304 2.267 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000624415316 652292846 /nfs/dbraw/zinc/29/28/46/652292846.db2.gz AUDMAORXDDPALI-ZDUSSCGKSA-N 1 0 376.881 2.258 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000624414988 652292896 /nfs/dbraw/zinc/29/28/96/652292896.db2.gz NMROQTKHAOOFGC-WRWORJQWSA-N 1 0 387.221 2.497 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658650177 652298878 /nfs/dbraw/zinc/29/88/78/652298878.db2.gz WFDDWPFJRCAQFY-CYBMUJFWSA-N 1 0 395.301 2.306 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000750627579 652303192 /nfs/dbraw/zinc/30/31/92/652303192.db2.gz XEJNPVCXGILBSK-RUZDIDTESA-N 1 0 381.420 2.404 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000624832420 652305428 /nfs/dbraw/zinc/30/54/28/652305428.db2.gz ZTROEOFUPAMIMV-UHFFFAOYSA-N 1 0 382.452 2.372 20 0 GEADRO CCO[C@@H](CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000624846438 652306384 /nfs/dbraw/zinc/30/63/84/652306384.db2.gz IDTHFGKDAXSNKW-INIZCTEOSA-N 1 0 376.588 2.083 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000578994878 652309687 /nfs/dbraw/zinc/30/96/87/652309687.db2.gz VTLAMTZDBFNXAV-ACJLOTCBSA-N 1 0 392.297 2.378 20 0 GEADRO COCC[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000579008225 652310935 /nfs/dbraw/zinc/31/09/35/652310935.db2.gz MNTLLMQKSQQYHL-UONOGXRCSA-N 1 0 377.268 2.468 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1csc(C(F)(F)F)c1 ZINC000624926856 652311003 /nfs/dbraw/zinc/31/10/03/652311003.db2.gz NTTUSJFDNYSHIS-SNVBAGLBSA-N 1 0 378.420 2.028 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000658778791 652313290 /nfs/dbraw/zinc/31/32/90/652313290.db2.gz PZTNLXGFJAYXLH-VIFPVBQESA-N 1 0 390.228 2.266 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2nc(-c3sccc3C)ns2)C1 ZINC000658785620 652314274 /nfs/dbraw/zinc/31/42/74/652314274.db2.gz WMGDKKACAQZLPS-NSHDSACASA-N 1 0 379.511 2.114 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658803931 652314676 /nfs/dbraw/zinc/31/46/76/652314676.db2.gz TVVPEHFRWKRDPC-CYBMUJFWSA-N 1 0 386.279 2.301 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1cccnc1OCC(F)F ZINC000624961222 652314741 /nfs/dbraw/zinc/31/47/41/652314741.db2.gz OZVKABJKTULEOV-BETUJISGSA-N 1 0 377.457 2.267 20 0 GEADRO Cn1cc(Br)c(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000579082732 652316032 /nfs/dbraw/zinc/31/60/32/652316032.db2.gz JVUFTDHVKMKLKL-AWEZNQCLSA-N 1 0 392.301 2.106 20 0 GEADRO O=S1(=O)C[C@H](C[NH2+]Cc2cncc(Br)c2)Oc2ccccc21 ZINC000579108659 652317784 /nfs/dbraw/zinc/31/77/84/652317784.db2.gz ITXYZEWYRSRAFA-ZDUSSCGKSA-N 1 0 383.267 2.169 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000579128832 652319205 /nfs/dbraw/zinc/31/92/05/652319205.db2.gz RWLCJSADJXTSQP-CRAIPNDOSA-N 1 0 397.313 2.167 20 0 GEADRO Cc1ccc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c(F)c1F ZINC000625044735 652319527 /nfs/dbraw/zinc/31/95/27/652319527.db2.gz SQYXLRHRNRXKJS-UHFFFAOYSA-N 1 0 376.469 2.441 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000579132320 652319561 /nfs/dbraw/zinc/31/95/61/652319561.db2.gz SAKZOAOQVNAOBR-MFKMUULPSA-N 1 0 379.295 2.143 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000751005713 652319673 /nfs/dbraw/zinc/31/96/73/652319673.db2.gz XCQWDWBLADZANR-NWDGAFQWSA-N 1 0 389.905 2.063 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000658892656 652324934 /nfs/dbraw/zinc/32/49/34/652324934.db2.gz AGHJAYBVJLJBIV-CVEARBPZSA-N 1 0 394.313 2.275 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000579235555 652327323 /nfs/dbraw/zinc/32/73/23/652327323.db2.gz TVTJRHIBQWDCIX-VXGBXAGGSA-N 1 0 389.363 2.464 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1Cl ZINC000579237596 652327722 /nfs/dbraw/zinc/32/77/22/652327722.db2.gz WUXRDJMUDFJQAF-UHFFFAOYSA-N 1 0 397.324 2.297 20 0 GEADRO Cn1cc(CC[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)nn1 ZINC000625246056 652333745 /nfs/dbraw/zinc/33/37/45/652333745.db2.gz OSXIVTINTGGERF-UHFFFAOYSA-N 1 0 392.301 2.471 20 0 GEADRO C[NH+](C)C[C@@H](CNC(=O)[C@@]12CCC(=O)N1CCS2)c1ccc(Cl)cc1 ZINC000579363001 652334217 /nfs/dbraw/zinc/33/42/17/652334217.db2.gz ALOMAQUDNSRMAX-KDOFPFPSSA-N 1 0 381.929 2.167 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000658971991 652335024 /nfs/dbraw/zinc/33/50/24/652335024.db2.gz CKASTZZUCCJZPT-YGRLFVJLSA-N 1 0 378.274 2.148 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F ZINC000659024845 652337335 /nfs/dbraw/zinc/33/73/35/652337335.db2.gz LJTXKJSIMQLDAZ-GFCCVEGCSA-N 1 0 395.223 2.170 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000659079066 652340414 /nfs/dbraw/zinc/34/04/14/652340414.db2.gz YKLHKLBJWGPFNA-NSHDSACASA-N 1 0 376.682 2.449 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000659079064 652340590 /nfs/dbraw/zinc/34/05/90/652340590.db2.gz YKLHKLBJWGPFNA-LLVKDONJSA-N 1 0 376.682 2.449 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC[NH2+]CC1 ZINC000659082931 652341555 /nfs/dbraw/zinc/34/15/55/652341555.db2.gz RXDCLYFCMMLWFR-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659092998 652342992 /nfs/dbraw/zinc/34/29/92/652342992.db2.gz XDLLNHUFCJOJIM-UHFFFAOYSA-N 1 0 390.253 2.121 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659099653 652343442 /nfs/dbraw/zinc/34/34/42/652343442.db2.gz ADODKGMWDXMEGA-UHFFFAOYSA-N 1 0 396.285 2.125 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc3cc(Br)cnc32)CCCC1 ZINC000659097620 652343491 /nfs/dbraw/zinc/34/34/91/652343491.db2.gz CLVGSIVTMYWMMF-UHFFFAOYSA-N 1 0 391.269 2.324 20 0 GEADRO O=C(c1ccc(Br)c(F)c1F)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000625339549 652345400 /nfs/dbraw/zinc/34/54/00/652345400.db2.gz XFAQNYDUBNNWHY-QWHCGFSZSA-N 1 0 389.240 2.399 20 0 GEADRO CS(=O)(=O)CC[C@H]1CCCCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000579611483 652347139 /nfs/dbraw/zinc/34/71/39/652347139.db2.gz MGVNGPKPARZHFW-IAGOWNOFSA-N 1 0 388.599 2.020 20 0 GEADRO CN(C)C(=O)[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625470061 652347616 /nfs/dbraw/zinc/34/76/16/652347616.db2.gz HHLHHAISUMJHRW-SWLSCSKDSA-N 1 0 380.286 2.113 20 0 GEADRO C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccc(Br)s1 ZINC000579702415 652350981 /nfs/dbraw/zinc/35/09/81/652350981.db2.gz CGQDJWFOPBJTLT-ADEWGFFLSA-N 1 0 383.315 2.301 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000625524856 652351990 /nfs/dbraw/zinc/35/19/90/652351990.db2.gz MBVJGTJUAYWYRC-ZYHUDNBSSA-N 1 0 377.432 2.182 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNCc2cn3ccc(Br)cc3n2)CC1 ZINC000579768317 652353336 /nfs/dbraw/zinc/35/33/36/652353336.db2.gz GOPWJVHGMPTNNX-INIZCTEOSA-N 1 0 381.318 2.279 20 0 GEADRO O=C(CCn1cc(Br)cn1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659348722 652354463 /nfs/dbraw/zinc/35/44/63/652354463.db2.gz ZNKSZXQOYGCNAG-HZPDHXFCSA-N 1 0 377.286 2.298 20 0 GEADRO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCc2sc(Br)cc2C1 ZINC000659368344 652355416 /nfs/dbraw/zinc/35/54/16/652355416.db2.gz OZZFPOXRJFTRPC-LLVKDONJSA-N 1 0 396.314 2.053 20 0 GEADRO Brc1ccc(-c2nnc(CN3CCC([NH+]4CCOCC4)CC3)o2)o1 ZINC000625554629 652355616 /nfs/dbraw/zinc/35/56/16/652355616.db2.gz LZQMTUOJEXXGKK-UHFFFAOYSA-N 1 0 397.273 2.389 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC[C@H]1F ZINC000659388913 652355990 /nfs/dbraw/zinc/35/59/90/652355990.db2.gz GUHLQUNADFRPNX-KFWWJZLASA-N 1 0 388.270 2.496 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[NH+](C)CC1 ZINC000625569796 652356452 /nfs/dbraw/zinc/35/64/52/652356452.db2.gz GVEDUKAIIAOHKW-ZYRRHWMLSA-N 1 0 392.341 2.087 20 0 GEADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1OC ZINC000659391007 652356460 /nfs/dbraw/zinc/35/64/60/652356460.db2.gz MATRHJCZDBZIAB-VXGBXAGGSA-N 1 0 375.238 2.368 20 0 GEADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NCC12CC(C1)C[NH2+]2 ZINC000659443440 652357666 /nfs/dbraw/zinc/35/76/66/652357666.db2.gz SHHRFNXPUFWDTD-WRSVWVKZSA-N 1 0 393.329 2.327 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000659443165 652357794 /nfs/dbraw/zinc/35/77/94/652357794.db2.gz PNNVMOWKRNAQBV-WRSVWVKZSA-N 1 0 393.329 2.408 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)n1 ZINC000659453953 652358274 /nfs/dbraw/zinc/35/82/74/652358274.db2.gz AGRZGQOCWRYVJY-GFCCVEGCSA-N 1 0 382.251 2.434 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000659463884 652358809 /nfs/dbraw/zinc/35/88/09/652358809.db2.gz BDUDTACKUMCUGO-UHFFFAOYSA-N 1 0 378.786 2.280 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000659484787 652359188 /nfs/dbraw/zinc/35/91/88/652359188.db2.gz SMIRAPAQQITJRA-CQSZACIVSA-N 1 0 385.555 2.073 20 0 GEADRO CCn1c(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)nc2cc(Br)ccc21 ZINC000659485635 652359190 /nfs/dbraw/zinc/35/91/90/652359190.db2.gz WGULTYCMESSIIH-VXGBXAGGSA-N 1 0 398.280 2.399 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)NCc1c(Br)cncc1Br ZINC000659499310 652359866 /nfs/dbraw/zinc/35/98/66/652359866.db2.gz UTWXENFWHYYAFA-SSDOTTSWSA-N 1 0 380.084 2.014 20 0 GEADRO Brc1nc(Br)n(CN2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000751589943 652360546 /nfs/dbraw/zinc/36/05/46/652360546.db2.gz OUPBIQSKSYDARG-SNVBAGLBSA-N 1 0 393.127 2.321 20 0 GEADRO Cc1cc(Br)c(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000659602810 652361073 /nfs/dbraw/zinc/36/10/73/652361073.db2.gz KKIQXKPSQOBZDO-GFCCVEGCSA-N 1 0 387.347 2.008 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)C[NH+](C)C ZINC000579956069 652361249 /nfs/dbraw/zinc/36/12/49/652361249.db2.gz ZSTIMAOUWPARFQ-VIFPVBQESA-N 1 0 381.782 2.491 20 0 GEADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579951688 652361271 /nfs/dbraw/zinc/36/12/71/652361271.db2.gz YZTRFOMNODFOHS-NEPJUHHUSA-N 1 0 378.416 2.437 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000659616936 652361360 /nfs/dbraw/zinc/36/13/60/652361360.db2.gz YBHHXVPWZMREGB-GMQFJONSSA-N 1 0 398.276 2.423 20 0 GEADRO COCCN(Cc1cc(Br)cs1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614848 652361382 /nfs/dbraw/zinc/36/13/82/652361382.db2.gz RBVHDNWRKJUAFR-UHFFFAOYSA-N 1 0 388.331 2.421 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000579957251 652361574 /nfs/dbraw/zinc/36/15/74/652361574.db2.gz HIIDRFNMXDLUCL-VXGBXAGGSA-N 1 0 397.317 2.230 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000659625712 652361705 /nfs/dbraw/zinc/36/17/05/652361705.db2.gz XRAVCQCDBZZKRO-DGCLKSJQSA-N 1 0 378.300 2.406 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)n1 ZINC000659632994 652362000 /nfs/dbraw/zinc/36/20/00/652362000.db2.gz OABWECJJCVFGAU-UHFFFAOYSA-N 1 0 382.251 2.216 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000659635427 652362071 /nfs/dbraw/zinc/36/20/71/652362071.db2.gz PKLBOKMVDWHRTE-BXUZGUMPSA-N 1 0 381.826 2.425 20 0 GEADRO C[C@@H](CNC(=O)c1cc(Cn2cc(Br)cn2)on1)[NH+]1CCCCC1 ZINC000751664281 652362413 /nfs/dbraw/zinc/36/24/13/652362413.db2.gz MTLWWIAPFDPTCS-LBPRGKRZSA-N 1 0 396.289 2.286 20 0 GEADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CCn1cc(Br)ccc1=O ZINC000579991137 652362585 /nfs/dbraw/zinc/36/25/85/652362585.db2.gz RIBKYMRJJZGSJO-OAHLLOKOSA-N 1 0 384.318 2.334 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659680428 652363053 /nfs/dbraw/zinc/36/30/53/652363053.db2.gz GAFGPFKUUBJRSD-GFCCVEGCSA-N 1 0 384.318 2.082 20 0 GEADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])s2)cs1 ZINC000659683120 652363062 /nfs/dbraw/zinc/36/30/62/652363062.db2.gz NQABJFWFOKVFPT-UHFFFAOYSA-N 1 0 380.539 2.034 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])Cc1cccc(Br)c1 ZINC000659697072 652363769 /nfs/dbraw/zinc/36/37/69/652363769.db2.gz SMLZELCRGRFBNF-CYBMUJFWSA-N 1 0 398.345 2.330 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)C2 ZINC000659716218 652364153 /nfs/dbraw/zinc/36/41/53/652364153.db2.gz VCZWVAXNODDGMX-QWHCGFSZSA-N 1 0 394.313 2.104 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)C2 ZINC000659718736 652364219 /nfs/dbraw/zinc/36/42/19/652364219.db2.gz CACRBPLPOVUTAA-HNNXBMFYSA-N 1 0 394.313 2.233 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000659739424 652364523 /nfs/dbraw/zinc/36/45/23/652364523.db2.gz UFKOFAQXCIDCGF-VIFPVBQESA-N 1 0 377.329 2.106 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC000659723885 652364546 /nfs/dbraw/zinc/36/45/46/652364546.db2.gz RUFLTCDJRLBYOA-ZDUSSCGKSA-N 1 0 382.302 2.233 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000659744501 652364849 /nfs/dbraw/zinc/36/48/49/652364849.db2.gz LUYCOUHYDAHONY-CQSZACIVSA-N 1 0 388.281 2.036 20 0 GEADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000580088716 652366532 /nfs/dbraw/zinc/36/65/32/652366532.db2.gz BWECCFQZNYQFAA-CQSZACIVSA-N 1 0 387.311 2.052 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ncsc1Br ZINC000580119511 652367246 /nfs/dbraw/zinc/36/72/46/652367246.db2.gz HMSFHFAMOQUXOE-UHFFFAOYSA-N 1 0 383.271 2.318 20 0 GEADRO CC(C)N(CCCNC(=O)C[N@@H+]1CC(C)(C)CCC1(C)C)S(C)(=O)=O ZINC000625722822 652368843 /nfs/dbraw/zinc/36/88/43/652368843.db2.gz FVAIAAFFCARYKN-UHFFFAOYSA-N 1 0 375.579 2.063 20 0 GEADRO 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[NH3+]C[C@H]1CN(C(=O)NCCOc2ccc(Cl)cn2)CC[C@H]1C(F)(F)F ZINC000627000704 652411429 /nfs/dbraw/zinc/41/14/29/652411429.db2.gz UVEUTUHXQDUPFL-CMPLNLGQSA-N 1 0 380.798 2.283 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[C@H](C)[NH2+]C3)nc12 ZINC000627013922 652411974 /nfs/dbraw/zinc/41/19/74/652411974.db2.gz MCSSYNAGGUOQGI-AAEUAGOBSA-N 1 0 380.290 2.345 20 0 GEADRO COc1cc(Br)ccc1CCCNC(=O)N(C)CCOCC[NH3+] ZINC000627014787 652412001 /nfs/dbraw/zinc/41/20/01/652412001.db2.gz XUEYGEUUAOSOJY-UHFFFAOYSA-N 1 0 388.306 2.007 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[C@H](C)[NH2+]C3)nc12 ZINC000627012752 652412005 /nfs/dbraw/zinc/41/20/05/652412005.db2.gz DWKFTNZDTGTXRU-JSGCOSHPSA-N 1 0 394.317 2.387 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000627012937 652412033 /nfs/dbraw/zinc/41/20/33/652412033.db2.gz AFAPPNUDRPSRKO-UONOGXRCSA-N 1 0 380.290 2.345 20 0 GEADRO O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000660733656 652412563 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KYOSOAMDYZNUFK-QMMMGPOBSA-N 1 0 392.656 2.377 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627129116 652414767 /nfs/dbraw/zinc/41/47/67/652414767.db2.gz CVINKFNUFWGNNA-GDBMZVCRSA-N 1 0 396.329 2.184 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000581476706 652414793 /nfs/dbraw/zinc/41/47/93/652414793.db2.gz KWVDFBJROMQDMC-KOLCDFICSA-N 1 0 386.677 2.394 20 0 GEADRO [NH3+]C1(CNC(=O)NCc2cc(F)c(Br)cc2F)CCOCC1 ZINC000627147212 652415835 /nfs/dbraw/zinc/41/58/35/652415835.db2.gz JPROSFBRBGNVBV-UHFFFAOYSA-N 1 0 378.217 2.034 20 0 GEADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000581550310 652416301 /nfs/dbraw/zinc/41/63/01/652416301.db2.gz VPLHXBRCPPRORI-QGZVFWFLSA-N 1 0 378.881 2.198 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000627156730 652416369 /nfs/dbraw/zinc/41/63/69/652416369.db2.gz HAAAXGBEMUEYSM-UHFFFAOYSA-N 1 0 385.306 2.384 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000627161914 652416552 /nfs/dbraw/zinc/41/65/52/652416552.db2.gz ANVWIHQOAFOBST-VNQPRFMTSA-N 1 0 384.318 2.040 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](CO)Cc1cccc(Br)c1C ZINC000627158991 652416608 /nfs/dbraw/zinc/41/66/08/652416608.db2.gz JUERRRFLRCKCKV-XOKHGSTOSA-N 1 0 398.345 2.348 20 0 GEADRO C[NH2+]CCOCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000627171086 652417095 /nfs/dbraw/zinc/41/70/95/652417095.db2.gz QBUFDEOMVUQGLC-UHFFFAOYSA-N 1 0 375.300 2.061 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F)[NH+](C)C ZINC000627193188 652418067 /nfs/dbraw/zinc/41/80/67/652418067.db2.gz ZCQNJIUMTPDPTH-ZETCQYMHSA-N 1 0 380.645 2.246 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000581602683 652418136 /nfs/dbraw/zinc/41/81/36/652418136.db2.gz KRFCZNCZBADIGY-UHFFFAOYSA-N 1 0 377.428 2.266 20 0 GEADRO C[C@@H](C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)S(C)(=O)=O ZINC000581602519 652418159 /nfs/dbraw/zinc/41/81/59/652418159.db2.gz CNGZWXSMKHFREO-STQMWFEESA-N 1 0 375.332 2.298 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)NC(C)(C)COc2ncccc2Br)C[NH2+]1 ZINC000627204024 652418803 /nfs/dbraw/zinc/41/88/03/652418803.db2.gz APOOURIQFQLMRV-NWDGAFQWSA-N 1 0 385.306 2.441 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C[NH2+]1 ZINC000627210148 652418984 /nfs/dbraw/zinc/41/89/84/652418984.db2.gz MSNWELAKBYKGJY-UKRRQHHQSA-N 1 0 381.318 2.421 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1)Nc1ccccc1Br ZINC000661140792 652419935 /nfs/dbraw/zinc/41/99/35/652419935.db2.gz MYJBPDBHHLAPDY-CYBMUJFWSA-N 1 0 378.274 2.391 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](Cn2ccnn2)C1)Nc1ccc(Br)cc1 ZINC000661143245 652420425 /nfs/dbraw/zinc/42/04/25/652420425.db2.gz ZOAWKBYJTHUXLT-ZDUSSCGKSA-N 1 0 378.274 2.391 20 0 GEADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627258015 652420462 /nfs/dbraw/zinc/42/04/62/652420462.db2.gz SDFKHSZBHZNLAQ-WDEREUQCSA-N 1 0 384.299 2.273 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(Br)c1 ZINC000627256497 652420666 /nfs/dbraw/zinc/42/06/66/652420666.db2.gz NSKXRGYHMHAOJA-QLFBSQMISA-N 1 0 397.313 2.192 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000581666523 652420993 /nfs/dbraw/zinc/42/09/93/652420993.db2.gz KIFZMEWNFGBFJE-INIZCTEOSA-N 1 0 391.921 2.349 20 0 GEADRO O=C(c1cc(F)c(F)cc1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627261425 652421377 /nfs/dbraw/zinc/42/13/77/652421377.db2.gz XWOKKTYFKZOXLP-ZJUUUORDSA-N 1 0 375.213 2.008 20 0 GEADRO O=C(Cc1ccc(Br)c(Cl)c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627264380 652421851 /nfs/dbraw/zinc/42/18/51/652421851.db2.gz SSHNFQKIPXMCAH-OLZOCXBDSA-N 1 0 387.705 2.313 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627312384 652422242 /nfs/dbraw/zinc/42/22/42/652422242.db2.gz XLWRYSUHKWKNQS-IOASZLSFSA-N 1 0 396.329 2.143 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000627339493 652423491 /nfs/dbraw/zinc/42/34/91/652423491.db2.gz JOUCVOVPMZQSOO-LSDHHAIUSA-N 1 0 381.929 2.450 20 0 GEADRO CCN(CC[NH3+])C(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000627393925 652426021 /nfs/dbraw/zinc/42/60/21/652426021.db2.gz QFNFEHWCGAYZKL-UHFFFAOYSA-N 1 0 384.210 2.018 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627440746 652428117 /nfs/dbraw/zinc/42/81/17/652428117.db2.gz SMMMYAIOKZHJGK-OAHLLOKOSA-N 1 0 394.313 2.198 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627484071 652429971 /nfs/dbraw/zinc/42/99/71/652429971.db2.gz QJTMQGNWJNSYKG-DOMZBBRYSA-N 1 0 382.302 2.054 20 0 GEADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000581990418 652430682 /nfs/dbraw/zinc/43/06/82/652430682.db2.gz SEKHJUBYZZJHJV-GFCCVEGCSA-N 1 0 380.290 2.200 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627501928 652430916 /nfs/dbraw/zinc/43/09/16/652430916.db2.gz DIOQOSLTSCILGH-SWLSCSKDSA-N 1 0 382.302 2.054 20 0 GEADRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000661440697 652431750 /nfs/dbraw/zinc/43/17/50/652431750.db2.gz DRODBXIJGVHHBA-SWLSCSKDSA-N 1 0 380.286 2.440 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000582011745 652431648 /nfs/dbraw/zinc/43/16/48/652431648.db2.gz MCGHAMAUMUCOIF-CYBMUJFWSA-N 1 0 382.302 2.027 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2scnc2Br)C1 ZINC000754324388 652433236 /nfs/dbraw/zinc/43/32/36/652433236.db2.gz RBRLIGXMWYXLKE-LLVKDONJSA-N 1 0 376.320 2.479 20 0 GEADRO C[C@H](CNC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21)C[NH+](C)C ZINC000627583469 652433756 /nfs/dbraw/zinc/43/37/56/652433756.db2.gz WJINVXXOSIHRSL-GFCCVEGCSA-N 1 0 394.313 2.141 20 0 GEADRO CCOc1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1Br ZINC000582061897 652433824 /nfs/dbraw/zinc/43/38/24/652433824.db2.gz DWEQWZRRXMPSHE-UHFFFAOYSA-N 1 0 377.304 2.126 20 0 GEADRO NC(=O)C1([NH2+]CCOc2ccc(Cl)cc2Br)CCOCC1 ZINC000661594501 652434181 /nfs/dbraw/zinc/43/41/81/652434181.db2.gz PEBFPDVJUMJDPE-UHFFFAOYSA-N 1 0 377.666 2.105 20 0 GEADRO C[C@@H]1C[NH+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H](C)C1O ZINC000661623990 652435842 /nfs/dbraw/zinc/43/58/42/652435842.db2.gz TXSWTBYVWAMSRK-GHMZBOCLSA-N 1 0 375.332 2.418 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627642335 652437026 /nfs/dbraw/zinc/43/70/26/652437026.db2.gz MUKXVLNBABIDOA-UHFFFAOYSA-N 1 0 392.656 2.200 20 0 GEADRO COCC[C@@]1([NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)CCOC1 ZINC000582161533 652438078 /nfs/dbraw/zinc/43/80/78/652438078.db2.gz YNDYOPDTWICMDO-QGZVFWFLSA-N 1 0 375.296 2.437 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661696659 652438117 /nfs/dbraw/zinc/43/81/17/652438117.db2.gz LTTXWWPFJZGLKO-RDTXWAMCSA-N 1 0 397.313 2.255 20 0 GEADRO COc1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1Br ZINC000582181016 652439068 /nfs/dbraw/zinc/43/90/68/652439068.db2.gz AXKAYCUVSSLNSL-NSHDSACASA-N 1 0 377.304 2.268 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cc(=O)[nH]cn1 ZINC000627837308 652440802 /nfs/dbraw/zinc/44/08/02/652440802.db2.gz NPMPJIVMDVPJGG-UHFFFAOYSA-N 1 0 394.273 2.195 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000582231026 652441265 /nfs/dbraw/zinc/44/12/65/652441265.db2.gz BWHZBNJORARRPP-ZIEJDFEHSA-N 1 0 382.302 2.386 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cnns1)c1ccc(Cl)c(Cl)c1 ZINC000627910903 652442356 /nfs/dbraw/zinc/44/23/56/652442356.db2.gz UAAZHKHLIOBTLU-LLVKDONJSA-N 1 0 388.280 2.203 20 0 GEADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCCCC[NH+](C)C ZINC000754683169 652442681 /nfs/dbraw/zinc/44/26/81/652442681.db2.gz VXZRQGRYWOZLGK-ZDUSSCGKSA-N 1 0 376.906 2.282 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCn1cc(Br)ccc1=O ZINC000582283872 652443447 /nfs/dbraw/zinc/44/34/47/652443447.db2.gz MKSBTJOXJSFYEC-ZIAGYGMSSA-N 1 0 399.333 2.173 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000582289281 652443798 /nfs/dbraw/zinc/44/37/98/652443798.db2.gz RGPBTXYCSINMPS-OKILXGFUSA-N 1 0 390.285 2.993 20 0 GEADRO CCCCN(C(=O)C[NH2+][C@@H](C)C1CCC(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000662002993 652444595 /nfs/dbraw/zinc/44/45/95/652444595.db2.gz MGGIBYNJNNOJJU-OTBWCIGPSA-N 1 0 376.538 2.309 20 0 GEADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000582414679 652449296 /nfs/dbraw/zinc/44/92/96/652449296.db2.gz XFKGTJYELDNBTD-AWEZNQCLSA-N 1 0 379.913 2.348 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662155095 652449507 /nfs/dbraw/zinc/44/95/07/652449507.db2.gz HNWPMNVIDNLIBZ-HIFRSBDPSA-N 1 0 396.329 2.307 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000662175893 652450590 /nfs/dbraw/zinc/45/05/90/652450590.db2.gz SJBWHVILVXVDRK-UHFFFAOYSA-N 1 0 389.949 2.392 20 0 GEADRO O=C(c1ccc(Br)c(F)c1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000628146552 652453207 /nfs/dbraw/zinc/45/32/07/652453207.db2.gz RARZKOVJZYTVFU-LLVKDONJSA-N 1 0 389.240 2.399 20 0 GEADRO CN1CCN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000582534757 652454115 /nfs/dbraw/zinc/45/41/15/652454115.db2.gz YQTOXXRVPLNQBJ-SECBINFHSA-N 1 0 379.661 2.348 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000582540791 652454627 /nfs/dbraw/zinc/45/46/27/652454627.db2.gz JIPOZIMJNNSGEP-IUODEOHRSA-N 1 0 392.301 2.326 20 0 GEADRO Brc1ccc(CN2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC000662257254 652454708 /nfs/dbraw/zinc/45/47/08/652454708.db2.gz BUYSRMACKMJRTL-ZDUSSCGKSA-N 1 0 386.359 2.149 20 0 GEADRO Fc1ccc([C@@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CCO2)cc1Br ZINC000662279021 652455159 /nfs/dbraw/zinc/45/51/59/652455159.db2.gz OQTIQPRRFFASCR-CJNGLKHVSA-N 1 0 385.277 2.483 20 0 GEADRO C[NH+](C)CCC[C@H]1CN([C@@H](C(N)=O)c2cccc(Br)c2)CCO1 ZINC000662325360 652456081 /nfs/dbraw/zinc/45/60/81/652456081.db2.gz MERNAHPBIDWUFU-JKSUJKDBSA-N 1 0 384.318 2.018 20 0 GEADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000662340800 652456289 /nfs/dbraw/zinc/45/62/89/652456289.db2.gz JINLKGPOIKJURD-UHFFFAOYSA-N 1 0 384.307 2.305 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000662332179 652456300 /nfs/dbraw/zinc/45/63/00/652456300.db2.gz NYMGWNCXXKTTSG-RYUDHWBXSA-N 1 0 380.208 2.376 20 0 GEADRO C[C@@H]1C[NH+](C[C@H](O)CNc2ccc(I)cc2)C[C@@H](C)O1 ZINC000582661146 652457732 /nfs/dbraw/zinc/45/77/32/652457732.db2.gz QYMKAKUSLAFPET-LALPHHSUSA-N 1 0 390.265 2.173 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H](O)CNc2ccc(I)cc2)C[C@H](C)O1 ZINC000582661148 652458203 /nfs/dbraw/zinc/45/82/03/652458203.db2.gz QYMKAKUSLAFPET-ZOWXZIJZSA-N 1 0 390.265 2.173 20 0 GEADRO CC(C)Nc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000582668928 652458631 /nfs/dbraw/zinc/45/86/31/652458631.db2.gz QKMTWLIVTLTCEN-CQSZACIVSA-N 1 0 397.317 2.466 20 0 GEADRO N[C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000662387667 652458762 /nfs/dbraw/zinc/45/87/62/652458762.db2.gz UYNUIYLRMWSOIG-KRWDZBQOSA-N 1 0 396.329 2.020 20 0 GEADRO C[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccccc1NS(C)(=O)=O ZINC000662389411 652458773 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C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000662486026 652463766 /nfs/dbraw/zinc/46/37/66/652463766.db2.gz UXARYFDQHBUWTE-RYUDHWBXSA-N 1 0 393.285 2.446 20 0 GEADRO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCc2cccc(Br)c2C1 ZINC000662498449 652464391 /nfs/dbraw/zinc/46/43/91/652464391.db2.gz OSSBSNWAHYZDLZ-GFCCVEGCSA-N 1 0 375.270 2.448 20 0 GEADRO O=C(NCc1ccc(Br)s1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662498363 652464405 /nfs/dbraw/zinc/46/44/05/652464405.db2.gz GPZZXCASZORIDJ-JTQLQIEISA-N 1 0 384.303 2.347 20 0 GEADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662517649 652465699 /nfs/dbraw/zinc/46/56/99/652465699.db2.gz NVUDAYOWFVHFGO-OAHLLOKOSA-N 1 0 396.329 2.113 20 0 GEADRO O=C(Cc1c(Cl)cccc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662518441 652465709 /nfs/dbraw/zinc/46/57/09/652465709.db2.gz RQQDONPCUNDYRL-GFCCVEGCSA-N 1 0 386.721 2.151 20 0 GEADRO CCCS(=O)(=O)Nc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662539267 652466827 /nfs/dbraw/zinc/46/68/27/652466827.db2.gz UKGMGXGZCTVEDS-AWEZNQCLSA-N 1 0 379.404 2.319 20 0 GEADRO N[C@H](C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1Br ZINC000662576508 652468455 /nfs/dbraw/zinc/46/84/55/652468455.db2.gz VMUALQODOVWERQ-COXVUDFISA-N 1 0 396.329 2.194 20 0 GEADRO C[N@H+](CC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)[C@@H]1CCSC1 ZINC000628742419 652469509 /nfs/dbraw/zinc/46/95/09/652469509.db2.gz ZBVDRRDKUKRIBX-IAGOWNOFSA-N 1 0 383.945 2.099 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000662611447 652469560 /nfs/dbraw/zinc/46/95/60/652469560.db2.gz KNISGNFODHPUAE-UHFFFAOYSA-N 1 0 376.507 2.382 20 0 GEADRO CN[C@H](C(=O)NCCN(C)CCC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662630944 652469659 /nfs/dbraw/zinc/46/96/59/652469659.db2.gz JEAXYUDIAYOAFB-INIZCTEOSA-N 1 0 375.344 2.254 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000628744113 652469633 /nfs/dbraw/zinc/46/96/33/652469633.db2.gz PGNAZUGEQNCFIG-CQSZACIVSA-N 1 0 384.929 2.494 20 0 GEADRO [NH3+]C1(CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CCCC1 ZINC000662651952 652470056 /nfs/dbraw/zinc/47/00/56/652470056.db2.gz IHQCIXKCXKJEJC-LBPRGKRZSA-N 1 0 380.286 2.190 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000662657496 652470323 /nfs/dbraw/zinc/47/03/23/652470323.db2.gz SJLIJNYBQHDCNM-ZWKOPEQDSA-N 1 0 395.257 2.040 20 0 GEADRO CC1(C)CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000662692790 652470762 /nfs/dbraw/zinc/47/07/62/652470762.db2.gz QSJPJVLIAJHMRE-AWEZNQCLSA-N 1 0 394.313 2.332 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000662696647 652470800 /nfs/dbraw/zinc/47/08/00/652470800.db2.gz QNCSCAFKQHZLPK-SNVBAGLBSA-N 1 0 377.329 2.024 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662679950 652470803 /nfs/dbraw/zinc/47/08/03/652470803.db2.gz SMDDBTAYTQEJAP-VNSJNIRKSA-N 1 0 382.551 2.301 20 0 GEADRO CN[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000662716626 652471089 /nfs/dbraw/zinc/47/10/89/652471089.db2.gz GRHJXGMDRHEBQN-UXLLHSPISA-N 1 0 386.323 2.312 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000583020567 652471158 /nfs/dbraw/zinc/47/11/58/652471158.db2.gz LAAKTIVIWPTIIK-UHFFFAOYSA-N 1 0 387.933 2.320 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662733263 652472029 /nfs/dbraw/zinc/47/20/29/652472029.db2.gz RYSOIWWORQITMJ-HOTGVXAUSA-N 1 0 396.329 2.145 20 0 GEADRO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCOc2cc(Br)ccc2C1 ZINC000662744533 652472380 /nfs/dbraw/zinc/47/23/80/652472380.db2.gz PMPOGRGUCGEPBS-NSHDSACASA-N 1 0 391.269 2.284 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000662734411 652472426 /nfs/dbraw/zinc/47/24/26/652472426.db2.gz AHXSDMQWRFMLPD-JKSUJKDBSA-N 1 0 394.313 2.201 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662745167 652472922 /nfs/dbraw/zinc/47/29/22/652472922.db2.gz GZDRXFIAGHJNCJ-XYPHTWIQSA-N 1 0 396.329 2.018 20 0 GEADRO C[C@@H]1[C@H](NC(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000583163876 652474625 /nfs/dbraw/zinc/47/46/25/652474625.db2.gz NRXIWGLZWIEFLQ-CZUORRHYSA-N 1 0 377.286 2.425 20 0 GEADRO Cc1nccc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1Br ZINC000583158068 652474682 /nfs/dbraw/zinc/47/46/82/652474682.db2.gz GVGSNQYUQCXKJS-UHFFFAOYSA-N 1 0 384.299 2.437 20 0 GEADRO CCn1cc(C[N@H+](C)Cn2nc(Br)c(=O)c3ccccc32)cn1 ZINC000755746735 652474904 /nfs/dbraw/zinc/47/49/04/652474904.db2.gz WWZRVCHXXDZREU-UHFFFAOYSA-N 1 0 376.258 2.465 20 0 GEADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000662800872 652475100 /nfs/dbraw/zinc/47/51/00/652475100.db2.gz ULMXVGNMNSRBAB-HZPDHXFCSA-N 1 0 383.286 2.183 20 0 GEADRO O=c1c(Br)nn(C[N@@H+]2CC[C@H](N3CC=CC3)C2)c2ccccc12 ZINC000755749015 652475402 /nfs/dbraw/zinc/47/54/02/652475402.db2.gz FZFWJQVUIZUEBU-ZDUSSCGKSA-N 1 0 375.270 2.063 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@@H]1C[NH3+] ZINC000662814612 652475537 /nfs/dbraw/zinc/47/55/37/652475537.db2.gz QLJWHHFBIUETDF-JMGFVUJMSA-N 1 0 382.302 2.365 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000662827468 652475732 /nfs/dbraw/zinc/47/57/32/652475732.db2.gz JXOLYYXHFFPGJU-UHFFFAOYSA-N 1 0 387.322 2.241 20 0 GEADRO Cc1c(C[NH3+])c(NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)nn1C ZINC000662840409 652476156 /nfs/dbraw/zinc/47/61/56/652476156.db2.gz APPDOTUVVMYJRG-MRVPVSSYSA-N 1 0 384.267 2.251 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662845754 652476257 /nfs/dbraw/zinc/47/62/57/652476257.db2.gz KNAZVOFSVZTKTE-HNNXBMFYSA-N 1 0 384.929 2.352 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000628967603 652476451 /nfs/dbraw/zinc/47/64/51/652476451.db2.gz AGWZBIHFRUFJOV-INIZCTEOSA-N 1 0 394.313 2.312 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000662925057 652478627 /nfs/dbraw/zinc/47/86/27/652478627.db2.gz JRGJXBCJEDXKOD-AWEZNQCLSA-N 1 0 382.302 2.308 20 0 GEADRO O=C(C(=O)N1CCc2ccc(Cl)c(Cl)c2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662969491 652479641 /nfs/dbraw/zinc/47/96/41/652479641.db2.gz PWMZSOLTOZAPFH-GOSISDBHSA-N 1 0 382.291 2.090 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000662961484 652479701 /nfs/dbraw/zinc/47/97/01/652479701.db2.gz CARFNHNIDIMJFR-UONOGXRCSA-N 1 0 396.329 2.334 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N2Cc3ccc(C)c(Br)c3C2)CC[C@@H]1[NH3+] ZINC000662993638 652480925 /nfs/dbraw/zinc/48/09/25/652480925.db2.gz PNLQEPDJMGEOIF-DOMZBBRYSA-N 1 0 394.313 2.186 20 0 GEADRO CC(C)OC(=O)[C@H](C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000583376522 652482514 /nfs/dbraw/zinc/48/25/14/652482514.db2.gz RLIBEJZPIVWXSL-GFCCVEGCSA-N 1 0 392.315 2.400 20 0 GEADRO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Br)n1 ZINC000756018022 652484981 /nfs/dbraw/zinc/48/49/81/652484981.db2.gz REXOXSUHVQMTQW-NWANDNLSSA-N 1 0 382.302 2.476 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000756151179 652490440 /nfs/dbraw/zinc/49/04/40/652490440.db2.gz KLVKLDAECFYTAO-UHFFFAOYSA-N 1 0 389.905 2.015 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000663309383 652492752 /nfs/dbraw/zinc/49/27/52/652492752.db2.gz CAUKNYDYCNWUBV-JTQLQIEISA-N 1 0 375.210 2.100 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3c(Cl)cc(F)cc3Br)C[C@H]21 ZINC000629353860 652493114 /nfs/dbraw/zinc/49/31/14/652493114.db2.gz WBXKAKSVTDEZCB-GDGBQDQQSA-N 1 0 397.697 2.422 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629560433 652493221 /nfs/dbraw/zinc/49/32/21/652493221.db2.gz YLXMOWVJXRVMBC-HNNXBMFYSA-N 1 0 384.318 2.132 20 0 GEADRO [NH3+]C[C@@H]1CN(CCCS(=O)(=O)c2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629562686 652493621 /nfs/dbraw/zinc/49/36/21/652493621.db2.gz OPJUSOBVJLTBQS-IUODEOHRSA-N 1 0 382.423 2.449 20 0 GEADRO Cc1cc(Br)cc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000663312303 652493665 /nfs/dbraw/zinc/49/36/65/652493665.db2.gz WPNMUFYVAYLELC-SNVBAGLBSA-N 1 0 375.210 2.268 20 0 GEADRO [NH3+]C1(CNC(=O)CCC(=O)c2ccc(I)cc2)CCC1 ZINC000583694218 652494490 /nfs/dbraw/zinc/49/44/90/652494490.db2.gz HLMVXQHENXXPSZ-UHFFFAOYSA-N 1 0 386.233 2.252 20 0 GEADRO COc1ncc(Br)cc1CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000629592681 652494605 /nfs/dbraw/zinc/49/46/05/652494605.db2.gz CBBPKBMOOJDFLK-KRWDZBQOSA-N 1 0 394.313 2.435 20 0 GEADRO CCn1nncc1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000629596377 652494609 /nfs/dbraw/zinc/49/46/09/652494609.db2.gz XVIRCIWANQJJCH-GFCCVEGCSA-N 1 0 389.681 2.243 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000663364721 652495598 /nfs/dbraw/zinc/49/55/98/652495598.db2.gz VCODJCYNKDLZHM-CYBMUJFWSA-N 1 0 381.416 2.002 20 0 GEADRO O=C(NCCC[NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(Br)cc1 ZINC000583807579 652498126 /nfs/dbraw/zinc/49/81/26/652498126.db2.gz QXSREVXFZJNUIO-LBPRGKRZSA-N 1 0 383.208 2.472 20 0 GEADRO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000583989787 652504853 /nfs/dbraw/zinc/50/48/53/652504853.db2.gz QHUCFOJVSJCGFB-OLZOCXBDSA-N 1 0 391.693 2.053 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)C(F)F ZINC000663603691 652505576 /nfs/dbraw/zinc/50/55/76/652505576.db2.gz IOSXVDYHCHFHKO-SECBINFHSA-N 1 0 389.708 2.276 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000584009990 652505779 /nfs/dbraw/zinc/50/57/79/652505779.db2.gz WDVNQNBTVXDVBA-NFAWXSAZSA-N 1 0 387.318 2.017 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000663613424 652506743 /nfs/dbraw/zinc/50/67/43/652506743.db2.gz QOADHXVDNOQFJF-MRXNPFEDSA-N 1 0 384.274 2.043 20 0 GEADRO C[C@]1(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)CC[NH2+]C1 ZINC000663612743 652506749 /nfs/dbraw/zinc/50/67/49/652506749.db2.gz KMSQXDSBRZVEPM-ZDUSSCGKSA-N 1 0 394.191 2.275 20 0 GEADRO CC[N@H+](CCNc1c(F)cc(S(N)(=O)=O)cc1Br)C(C)C ZINC000584045806 652506869 /nfs/dbraw/zinc/50/68/69/652506869.db2.gz GSXFBCURTZARGZ-UHFFFAOYSA-N 1 0 382.299 2.378 20 0 GEADRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(Br)cnn1 ZINC000663631960 652506983 /nfs/dbraw/zinc/50/69/83/652506983.db2.gz CFHHTVOTCWFDQF-CYBMUJFWSA-N 1 0 377.290 2.257 20 0 GEADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1cc(Br)cnn1 ZINC000663644302 652507333 /nfs/dbraw/zinc/50/73/33/652507333.db2.gz LKTKRGRXGNCPPJ-UHFFFAOYSA-N 1 0 376.302 2.498 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(c2nnc3ccc(Br)cn32)C1 ZINC000663681322 652508421 /nfs/dbraw/zinc/50/84/21/652508421.db2.gz JSSDEUNKYSECND-CQSZACIVSA-N 1 0 382.306 2.429 20 0 GEADRO O=C(NCc1ccc(Br)s1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663694771 652508996 /nfs/dbraw/zinc/50/89/96/652508996.db2.gz YBFXJFTUCFAJFO-GFCCVEGCSA-N 1 0 388.331 2.251 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000756933905 652509173 /nfs/dbraw/zinc/50/91/73/652509173.db2.gz YLCPDHBGMREWCW-AWEZNQCLSA-N 1 0 385.917 2.046 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000584103192 652509287 /nfs/dbraw/zinc/50/92/87/652509287.db2.gz IUAOLCHXCMRFHH-GOEBONIOSA-N 1 0 382.302 2.012 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000630559433 652511929 /nfs/dbraw/zinc/51/19/29/652511929.db2.gz RSVUUDDJGNCQGF-MJGOQNOKSA-N 1 0 394.357 2.480 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000584183836 652512481 /nfs/dbraw/zinc/51/24/81/652512481.db2.gz XQIHZRWEHLGOIH-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)NCc1sccc1Br ZINC000663864501 652513662 /nfs/dbraw/zinc/51/36/62/652513662.db2.gz AKSFFQHYIRILSO-UHFFFAOYSA-N 1 0 377.352 2.193 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000584293187 652515551 /nfs/dbraw/zinc/51/55/51/652515551.db2.gz ZKTHPYAOKDIDHR-FOLVSLTJSA-N 1 0 375.270 2.199 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000584313656 652516099 /nfs/dbraw/zinc/51/60/99/652516099.db2.gz ADKFZKBRONALOV-UHFFFAOYSA-N 1 0 385.427 2.006 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)sc1C(F)(F)F ZINC000584325334 652516306 /nfs/dbraw/zinc/51/63/06/652516306.db2.gz HDSBNRQCRRITNZ-WCBMZHEXSA-N 1 0 378.420 2.254 20 0 GEADRO C[NH+](C)CCNC(=S)Nc1cnc(Br)c(Br)c1 ZINC000757540658 652517815 /nfs/dbraw/zinc/51/78/15/652517815.db2.gz FKCXAWIHDLCUSI-UHFFFAOYSA-N 1 0 382.125 2.455 20 0 GEADRO Cc1nc(C)c(Br)c(NCC2(N3CCOCC3)CC[NH+](C)CC2)n1 ZINC000664012223 652518034 /nfs/dbraw/zinc/51/80/34/652518034.db2.gz PRUFJZNSYRIAEC-UHFFFAOYSA-N 1 0 398.349 2.064 20 0 GEADRO COCCc1ncc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)s1 ZINC000631030617 652518453 /nfs/dbraw/zinc/51/84/53/652518453.db2.gz SPPZXEOVISMUAA-INIZCTEOSA-N 1 0 380.583 2.472 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000584397850 652519595 /nfs/dbraw/zinc/51/95/95/652519595.db2.gz PKMDLQTZCWDNRR-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO CCn1c(CNC(=O)NC[C@H]2CCC[NH2+]2)nc2cc(Br)ccc21 ZINC000584400244 652519860 /nfs/dbraw/zinc/51/98/60/652519860.db2.gz OZZBGERCBCMPAK-GFCCVEGCSA-N 1 0 380.290 2.370 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c(F)cc1Br ZINC000631108611 652520226 /nfs/dbraw/zinc/52/02/26/652520226.db2.gz YVAMROVTWNFNGM-BXUZGUMPSA-N 1 0 389.265 2.322 20 0 GEADRO COc1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c(I)c1 ZINC000584464222 652521716 /nfs/dbraw/zinc/52/17/16/652521716.db2.gz JVEZLDVOLWKOGW-HNNXBMFYSA-N 1 0 388.249 2.419 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1c(F)cncc1Br ZINC000631386379 652522861 /nfs/dbraw/zinc/52/28/61/652522861.db2.gz OMTSHNOQXLSOID-NSHDSACASA-N 1 0 386.265 2.214 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc(Br)cc(F)c1C(N)=O ZINC000664197427 652522870 /nfs/dbraw/zinc/52/28/70/652522870.db2.gz XAWLFNBGRSTSTG-NSHDSACASA-N 1 0 389.313 2.371 20 0 GEADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ncsc1Br ZINC000584664148 652524973 /nfs/dbraw/zinc/52/49/73/652524973.db2.gz XZGHYAIMQRLGED-CHWSQXEVSA-N 1 0 396.310 2.271 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H](C)S1 ZINC000584707121 652526499 /nfs/dbraw/zinc/52/64/99/652526499.db2.gz VFDSBCKVOVXNML-NXEZZACHSA-N 1 0 375.416 2.455 20 0 GEADRO O=C(C(=O)N1CCc2c(ccc(Cl)c2Cl)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000584714956 652526846 /nfs/dbraw/zinc/52/68/46/652526846.db2.gz UQIBXUIYJNWDKR-SFHVURJKSA-N 1 0 382.291 2.090 20 0 GEADRO Cn1nc(Br)cc1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000758033172 652528953 /nfs/dbraw/zinc/52/89/53/652528953.db2.gz BYPAGMOPFINURU-UHFFFAOYSA-N 1 0 392.301 2.182 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000584830157 652530883 /nfs/dbraw/zinc/53/08/83/652530883.db2.gz LKYJYJXLCSTKDY-CYBMUJFWSA-N 1 0 392.352 2.299 20 0 GEADRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631670475 652530953 /nfs/dbraw/zinc/53/09/53/652530953.db2.gz VLNBAZKLVDQPSV-JQWIXIFHSA-N 1 0 379.320 2.298 20 0 GEADRO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000631699231 652531495 /nfs/dbraw/zinc/53/14/95/652531495.db2.gz ISVBXXQGQVVULD-LDWIPMOCSA-N 1 0 377.240 2.308 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(c3ncnc4ccc(Br)cc43)CC2)C1 ZINC000664600798 652531607 /nfs/dbraw/zinc/53/16/07/652531607.db2.gz KFLAKANCNVSXOS-AWEZNQCLSA-N 1 0 377.286 2.428 20 0 GEADRO Cc1nccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1Br ZINC000584874955 652532576 /nfs/dbraw/zinc/53/25/76/652532576.db2.gz XXPFJLCRMUJKBL-LBPRGKRZSA-N 1 0 397.317 2.291 20 0 GEADRO CC(C)[C@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)[C@H](O)C(F)(F)F ZINC000631715767 652533074 /nfs/dbraw/zinc/53/30/74/652533074.db2.gz ATGXRUFUDINJSQ-KKUMJFAQSA-N 1 0 380.432 2.249 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 ZINC000664627627 652533230 /nfs/dbraw/zinc/53/32/30/652533230.db2.gz DBYIQVGTZWFDTI-UHFFFAOYSA-N 1 0 379.766 2.388 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000631785003 652533625 /nfs/dbraw/zinc/53/36/25/652533625.db2.gz KAOCOHRCWWNHDB-UTUOFQBUSA-N 1 0 380.436 2.454 20 0 GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1cc(CO)on1 ZINC000631821162 652536756 /nfs/dbraw/zinc/53/67/56/652536756.db2.gz QLOFHXNPJNQPNT-UHFFFAOYSA-N 1 0 394.269 2.324 20 0 GEADRO C[C@H](CCCCO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000585765395 652537265 /nfs/dbraw/zinc/53/72/65/652537265.db2.gz BDYADCFVUAHWLS-LLVKDONJSA-N 1 0 376.238 2.370 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)COc2ccccc2Br)CC[N@@H+]1C ZINC000631883538 652537502 /nfs/dbraw/zinc/53/75/02/652537502.db2.gz GPGHNBCDADEWIZ-KCQAQPDRSA-N 1 0 385.302 2.035 20 0 GEADRO COC(=O)c1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000585766406 652537575 /nfs/dbraw/zinc/53/75/75/652537575.db2.gz PXGFWLWKBVEQCT-SJORKVTESA-N 1 0 397.313 2.267 20 0 GEADRO O=S(=O)(CCN1CCC[C@H]2C[NH2+]CC[C@H]21)c1cccc(Br)c1 ZINC000631887409 652537853 /nfs/dbraw/zinc/53/78/53/652537853.db2.gz NICOFGFWMPLJQV-XJKSGUPXSA-N 1 0 387.343 2.297 20 0 GEADRO C[C@@H](CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[NH+](C)C ZINC000664767300 652538069 /nfs/dbraw/zinc/53/80/69/652538069.db2.gz KNOIIWPZUASKHW-SWLSCSKDSA-N 1 0 397.317 2.194 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(Br)cc1 ZINC000586127130 652538789 /nfs/dbraw/zinc/53/87/89/652538789.db2.gz ZEHGPHQRDNAAFV-UHFFFAOYSA-N 1 0 393.347 2.428 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccnc3I)C2)CC1 ZINC000758409684 652540005 /nfs/dbraw/zinc/54/00/05/652540005.db2.gz CBBSWRMDKTWUHA-CYBMUJFWSA-N 1 0 399.276 2.490 20 0 GEADRO C[C@H]1CN(C(=O)c2scnc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000758427429 652541113 /nfs/dbraw/zinc/54/11/13/652541113.db2.gz OLELWCYUIZHHQR-RYUDHWBXSA-N 1 0 387.347 2.004 20 0 GEADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(C(=O)OC)cs2)cc1 ZINC000586789118 652541394 /nfs/dbraw/zinc/54/13/94/652541394.db2.gz YQRVRBVASKNWMG-GFCCVEGCSA-N 1 0 382.507 2.435 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000631941639 652542732 /nfs/dbraw/zinc/54/27/32/652542732.db2.gz CITFOHMCMQEDDJ-BDAKNGLRSA-N 1 0 390.328 2.465 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000631940671 652542744 /nfs/dbraw/zinc/54/27/44/652542744.db2.gz DNAASTMFYDOIGZ-GHMZBOCLSA-N 1 0 394.360 2.057 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000631972381 652543368 /nfs/dbraw/zinc/54/33/68/652543368.db2.gz CKKDYMYGNPFCJM-ZYHUDNBSSA-N 1 0 377.304 2.348 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000586853170 652543421 /nfs/dbraw/zinc/54/34/21/652543421.db2.gz QWYSIEIGPPGNHW-AWEZNQCLSA-N 1 0 397.317 2.480 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000586853171 652543535 /nfs/dbraw/zinc/54/35/35/652543535.db2.gz QWYSIEIGPPGNHW-CQSZACIVSA-N 1 0 397.317 2.480 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631992384 652545668 /nfs/dbraw/zinc/54/56/68/652545668.db2.gz BWCVQFMNPVTKIB-IAQYHMDHSA-N 1 0 391.306 2.492 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000665146323 652546194 /nfs/dbraw/zinc/54/61/94/652546194.db2.gz ZCUVSYIHRWLBJJ-INIZCTEOSA-N 1 0 396.329 2.498 20 0 GEADRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCNC(=O)c1ccc(Br)cn1 ZINC000665236613 652549322 /nfs/dbraw/zinc/54/93/22/652549322.db2.gz QTVKBJBZEAGQRS-DYVFJYSZSA-N 1 0 391.313 2.122 20 0 GEADRO CN(CCC[NH2+]CC1=Cc2cc(Br)ccc2OC1)S(C)(=O)=O ZINC000588177630 652550219 /nfs/dbraw/zinc/55/02/19/652550219.db2.gz MHXXTPURMYDFFX-UHFFFAOYSA-N 1 0 389.315 2.096 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@@H]2CCCOc3cc(Br)ccc32)n1 ZINC000665292063 652550640 /nfs/dbraw/zinc/55/06/40/652550640.db2.gz RSQQSVMIRBUYRG-CYBMUJFWSA-N 1 0 379.258 2.407 20 0 GEADRO O=S(=O)(C[C@@H]1CCC(F)(F)C1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000632118422 652551480 /nfs/dbraw/zinc/55/14/80/652551480.db2.gz PWIOBSZYDOAQFK-KBMXLJTQSA-N 1 0 380.501 2.109 20 0 GEADRO CC(C)(CNS(=O)(=O)Cc1ncsc1Br)C[NH+]1CCCC1 ZINC000632272707 652554117 /nfs/dbraw/zinc/55/41/17/652554117.db2.gz XCPAJZXMEZEMOE-UHFFFAOYSA-N 1 0 396.376 2.447 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000632368622 652559784 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CC[C@@H](CNCc1ccc(S(N)(=O)=O)c(Br)c1)[NH+]1CCCC1 ZINC000666220781 652569272 /nfs/dbraw/zinc/56/92/72/652569272.db2.gz NQZKJFQUEOZTQQ-ZDUSSCGKSA-N 1 0 390.347 2.061 20 0 GEADRO Cn1cc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)cc(Br)c1=O ZINC000666331718 652572344 /nfs/dbraw/zinc/57/23/44/652572344.db2.gz UVWFNKMVGFKXBE-UHFFFAOYSA-N 1 0 397.317 2.391 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1I ZINC000590045948 652573400 /nfs/dbraw/zinc/57/34/00/652573400.db2.gz ZABWIMMLPWYWJK-YPMHNXCESA-N 1 0 386.233 2.076 20 0 GEADRO Cc1cc(Br)c(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)s1 ZINC000666639128 652581716 /nfs/dbraw/zinc/58/17/16/652581716.db2.gz XPCOTPYYPKSGMT-GHMZBOCLSA-N 1 0 390.347 2.416 20 0 GEADRO Cc1cc(Br)c(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)s1 ZINC000666638254 652581923 /nfs/dbraw/zinc/58/19/23/652581923.db2.gz AHJGIHYDTQJQGD-GFCCVEGCSA-N 1 0 390.347 2.465 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2C[C@H]([NH3+])C[C@H]2C)ccc1Cl ZINC000632891413 652582445 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ZINC000766138195 652868917 /nfs/dbraw/zinc/86/89/17/652868917.db2.gz FKHWZMPSXCMYJJ-PWSUYJOCSA-N 1 0 383.482 2.456 20 0 GEADRO COc1cc(C[NH2+]CC(C)(C)S(C)(=O)=O)cc(OC)c1OCC(F)F ZINC000673603367 652872329 /nfs/dbraw/zinc/87/23/29/652872329.db2.gz LAHRXDGPXIXLRM-UHFFFAOYSA-N 1 0 381.441 2.261 20 0 GEADRO [NH3+]C1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 ZINC000637819156 652874260 /nfs/dbraw/zinc/87/42/60/652874260.db2.gz MJIFLJCBCXVUIV-GPANFISMSA-N 1 0 394.313 2.326 20 0 GEADRO NS(=O)(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000637812073 652874455 /nfs/dbraw/zinc/87/44/55/652874455.db2.gz VXBATIDHOJQFNM-UHFFFAOYSA-N 1 0 379.913 2.305 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637848182 652875707 /nfs/dbraw/zinc/87/57/07/652875707.db2.gz ROMFJDWTNZAHBI-GJZGRUSLSA-N 1 0 382.302 2.040 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1cnc2sccn2c1=O)c1ccc(Cl)cc1 ZINC000673751005 652875804 /nfs/dbraw/zinc/87/58/04/652875804.db2.gz YZJPIRDUKDUACB-AWEZNQCLSA-N 1 0 376.869 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GEADRO O=C1CCCCCN1CCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638297993 652885127 /nfs/dbraw/zinc/88/51/27/652885127.db2.gz LWGLMSDDJMGDJT-UHFFFAOYSA-N 1 0 380.290 2.374 20 0 GEADRO O=C(CCC1C[NH2+]C1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000638325907 652885809 /nfs/dbraw/zinc/88/58/09/652885809.db2.gz LVGAJQDTDKMJFW-UHFFFAOYSA-N 1 0 384.293 2.232 20 0 GEADRO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)s1)N1CCc2ccccc2C1 ZINC000638325675 652885826 /nfs/dbraw/zinc/88/58/26/652885826.db2.gz JPJLOQXARLKCLO-UHFFFAOYSA-N 1 0 379.551 2.322 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2scc(Br)c2Br)CCCO1 ZINC000638346070 652886360 /nfs/dbraw/zinc/88/63/60/652886360.db2.gz UCHWNEMCPXJRLJ-ZETCQYMHSA-N 1 0 398.120 2.463 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3sc4ncccc4c3Cl)C2)nn1 ZINC000638339002 652886423 /nfs/dbraw/zinc/88/64/23/652886423.db2.gz BZOUAKQPGCZCDY-NSHDSACASA-N 1 0 376.873 2.477 20 0 GEADRO Brc1cnc2c(C[NH2+]CCc3nnc4n3CCCCC4)cnn2c1 ZINC000638346086 652886488 /nfs/dbraw/zinc/88/64/88/652886488.db2.gz UIJYYWXDGFTYIA-UHFFFAOYSA-N 1 0 390.289 2.142 20 0 GEADRO Cc1c(Br)csc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000638342756 652886520 /nfs/dbraw/zinc/88/65/20/652886520.db2.gz QVOXIYFRPXZCBM-NSHDSACASA-N 1 0 384.303 2.347 20 0 GEADRO O=C(COc1ccc(Br)cn1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000638401230 652887990 /nfs/dbraw/zinc/88/79/90/652887990.db2.gz QXPAZUAAANFISM-CQSZACIVSA-N 1 0 382.302 2.461 20 0 GEADRO Cc1c(C[NH3+])c(NC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)nn1C ZINC000638398758 652888019 /nfs/dbraw/zinc/88/80/19/652888019.db2.gz DTNLKWWOFPUQLT-PBHICJAKSA-N 1 0 377.286 2.866 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)COc2ccc(Br)cn2)C1 ZINC000638394119 652888079 /nfs/dbraw/zinc/88/80/79/652888079.db2.gz YPQZPBXNNCCRJU-QLFBSQMISA-N 1 0 398.301 2.110 20 0 GEADRO Cc1cc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)sn1 ZINC000638439726 652889807 /nfs/dbraw/zinc/88/98/07/652889807.db2.gz WIIDPGFFJBQGFM-OAHLLOKOSA-N 1 0 381.523 2.199 20 0 GEADRO O=S(=O)(NC[C@H]1CCCO1)c1ccc(C[NH2+]CC2CCSCC2)cc1 ZINC000638438942 652889888 /nfs/dbraw/zinc/88/98/88/652889888.db2.gz NLGRJCWAVREURN-QGZVFWFLSA-N 1 0 384.567 2.377 20 0 GEADRO CO[C@@H](C[NH2+]CCCNC(=O)c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000638475646 652890769 /nfs/dbraw/zinc/89/07/69/652890769.db2.gz CGLGWPXVHAZGPT-ZBFHGGJFSA-N 1 0 385.302 2.210 20 0 GEADRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccc(S(N)(=O)=O)s3)C2)c1 ZINC000638485746 652890821 /nfs/dbraw/zinc/89/08/21/652890821.db2.gz XHYQWPLSXYVYOE-ZDUSSCGKSA-N 1 0 381.523 2.020 20 0 GEADRO COc1cccc(N2CC[C@H](C[NH2+]Cc3ccc(S(N)(=O)=O)s3)C2)c1 ZINC000638485740 652890907 /nfs/dbraw/zinc/89/09/07/652890907.db2.gz XHYQWPLSXYVYOE-CYBMUJFWSA-N 1 0 381.523 2.020 20 0 GEADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N[C@H]1CC[NH2+]C12CCC2 ZINC000638501414 652891371 /nfs/dbraw/zinc/89/13/71/652891371.db2.gz UVNOUIFKERMPLF-AWEZNQCLSA-N 1 0 398.276 2.109 20 0 GEADRO C[C@]([NH3+])(C(=O)NC[C@@H]1CCCN1CC(F)F)c1ccc(Br)cc1 ZINC000638515504 652892049 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[NH3+]C[C@@H]1CN(C(=O)COc2ccc(Br)cn2)CC[C@@H]1C(F)(F)F ZINC000638561464 652894918 /nfs/dbraw/zinc/89/49/18/652894918.db2.gz GYKQEPHUHBNAOX-KOLCDFICSA-N 1 0 396.207 2.209 20 0 GEADRO CO[C@@H](C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCC1 ZINC000638563799 652895481 /nfs/dbraw/zinc/89/54/81/652895481.db2.gz QLAVRRPHLNJDIY-INIZCTEOSA-N 1 0 388.555 2.064 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000638570605 652895711 /nfs/dbraw/zinc/89/57/11/652895711.db2.gz WESDQGRELXQFCF-UONOGXRCSA-N 1 0 383.290 2.217 20 0 GEADRO C[NH2+]CCOCCNC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000638575600 652895886 /nfs/dbraw/zinc/89/58/86/652895886.db2.gz GQDFZLYHCRCLCZ-UHFFFAOYSA-N 1 0 395.301 2.217 20 0 GEADRO CCSc1ccc(CC(=O)NCCOCC[NH2+]C)c(Br)c1 ZINC000638574233 652895942 /nfs/dbraw/zinc/89/59/42/652895942.db2.gz AQFDJZNBTLJMLO-UHFFFAOYSA-N 1 0 375.332 2.456 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000638589476 652896472 /nfs/dbraw/zinc/89/64/72/652896472.db2.gz SGPAUPCTDCDZPF-UHFFFAOYSA-N 1 0 395.301 2.251 20 0 GEADRO O=C(CN1CC[NH2+]CC1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638595550 652896873 /nfs/dbraw/zinc/89/68/73/652896873.db2.gz HWLJSKSNUDWNCB-MRXNPFEDSA-N 1 0 391.313 2.329 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638595919 652897202 /nfs/dbraw/zinc/89/72/02/652897202.db2.gz LHISMWPLONDXIF-RKVPGOIHSA-N 1 0 392.297 2.060 20 0 GEADRO O=C(NCc1cc(F)c(Br)cc1F)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638598502 652898166 /nfs/dbraw/zinc/89/81/66/652898166.db2.gz FTQQRACDAYURJP-QMMMGPOBSA-N 1 0 385.212 2.457 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674434997 652898388 /nfs/dbraw/zinc/89/83/88/652898388.db2.gz OFXCEMKOJVFYNA-QWRGUYRKSA-N 1 0 379.345 2.337 20 0 GEADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@@H]1COCC[NH2+]1 ZINC000638618165 652899373 /nfs/dbraw/zinc/89/93/73/652899373.db2.gz LIOYDOSFYKLEAQ-CQSZACIVSA-N 1 0 381.885 2.023 20 0 GEADRO CC1(C)NC(=O)N(CCC[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)C1=O ZINC000674459025 652899725 /nfs/dbraw/zinc/89/97/25/652899725.db2.gz FQRAWMCAOOJILF-IUCAKERBSA-N 1 0 375.313 2.380 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C[NH2+]1 ZINC000638638797 652900384 /nfs/dbraw/zinc/90/03/84/652900384.db2.gz GGXNMQBHCHNPLZ-DAXOMENPSA-N 1 0 394.313 2.197 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000638648154 652900830 /nfs/dbraw/zinc/90/08/30/652900830.db2.gz LBWQWNSKOCIRQK-GXFFZTMASA-N 1 0 378.274 2.209 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)s2)CC1 ZINC000638648645 652900897 /nfs/dbraw/zinc/90/08/97/652900897.db2.gz MXIXFVZJWQNBTQ-KGLIPLIRSA-N 1 0 385.555 2.039 20 0 GEADRO [NH3+]CCCOCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000638657651 652901578 /nfs/dbraw/zinc/90/15/78/652901578.db2.gz OLWWOLJRAGXQND-HNNXBMFYSA-N 1 0 388.295 2.080 20 0 GEADRO CN(CCOCC[NH3+])C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000638675642 652901946 /nfs/dbraw/zinc/90/19/46/652901946.db2.gz YERPKIGXTOLGGN-UHFFFAOYSA-N 1 0 385.180 2.395 20 0 GEADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cn(CC[NH3+])nn1 ZINC000638699287 652903751 /nfs/dbraw/zinc/90/37/51/652903751.db2.gz NTZIFUAWGKWCSV-WCQYABFASA-N 1 0 378.274 2.018 20 0 GEADRO CN1CC[C@H]([NH2+]CCNc2cnccn2)C[C@H]1c1ccc(Br)cc1 ZINC000638739747 652904649 /nfs/dbraw/zinc/90/46/49/652904649.db2.gz VZHMKPZWIAQPMK-IRXDYDNUSA-N 1 0 390.329 3.076 20 0 GEADRO Cc1ncc(C[NH2+]C[C@H](O)COc2ccc(I)cc2)o1 ZINC000600133911 652905289 /nfs/dbraw/zinc/90/52/89/652905289.db2.gz DQOVCOKZJFONIC-LBPRGKRZSA-N 1 0 388.205 2.117 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000638802681 652907374 /nfs/dbraw/zinc/90/73/74/652907374.db2.gz VYFCDHGCYVUUNQ-ZDUSSCGKSA-N 1 0 383.876 2.495 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638831130 652908050 /nfs/dbraw/zinc/90/80/50/652908050.db2.gz INCJKNDASPRQEV-YVZBYOTBSA-N 1 0 387.281 2.317 20 0 GEADRO Nc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000638838854 652908929 /nfs/dbraw/zinc/90/89/29/652908929.db2.gz QNNYDQGVSQUSFL-WFASDCNBSA-N 1 0 379.309 2.402 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNC(=O)CCn2cc(Br)cn2)C[C@H](C)O1 ZINC000674733389 652910593 /nfs/dbraw/zinc/91/05/93/652910593.db2.gz YFRDGQZPVLUMLN-OKILXGFUSA-N 1 0 387.322 2.041 20 0 GEADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638942339 652914228 /nfs/dbraw/zinc/91/42/28/652914228.db2.gz GSNANXIOQPWIJY-OEVJGCMJSA-N 1 0 387.281 2.317 20 0 GEADRO CC(C)Oc1cc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)ccc1Br ZINC000638972401 652915110 /nfs/dbraw/zinc/91/51/10/652915110.db2.gz HCLNEXSSTYNGGY-AWEZNQCLSA-N 1 0 398.301 2.433 20 0 GEADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000638989787 652915528 /nfs/dbraw/zinc/91/55/28/652915528.db2.gz XXWWYUDAWRLJPI-CYBMUJFWSA-N 1 0 377.794 2.233 20 0 GEADRO O=C([C@@H]1COc2ccc(Br)cc21)N1C[C@H]2CC[C@H]1[C@H]1C[NH2+]C[C@@H]12 ZINC000639008028 652915815 /nfs/dbraw/zinc/91/58/15/652915815.db2.gz QINLYWGRDJPKRL-IRHMCKRBSA-N 1 0 377.282 2.382 20 0 GEADRO Nc1ncc(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(N)n1 ZINC000639035981 652916552 /nfs/dbraw/zinc/91/65/52/652916552.db2.gz LDCDSNVTAJAHJJ-UHFFFAOYSA-N 1 0 381.311 2.363 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CCc3c(F)cc(Br)cc3C2)CC1 ZINC000675238504 652920351 /nfs/dbraw/zinc/92/03/51/652920351.db2.gz XXAKDZMNGCBGNA-UHFFFAOYSA-N 1 0 384.293 2.110 20 0 GEADRO O=C(CSCc1ccc(Br)cc1F)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600532966 652921999 /nfs/dbraw/zinc/92/19/99/652921999.db2.gz JXPFHQGDFFRPNW-CYBMUJFWSA-N 1 0 391.306 2.004 20 0 GEADRO NS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)s1 ZINC000639160457 652924423 /nfs/dbraw/zinc/92/44/23/652924423.db2.gz RKYWXCUFGTXYHR-ZACQAIPSSA-N 1 0 378.519 2.400 20 0 GEADRO COc1nsc(CN(CC[NH+](C)C)C[C@H]2CCCO2)c1Br ZINC000639171183 652924794 /nfs/dbraw/zinc/92/47/94/652924794.db2.gz UFOIRKJVEFXALB-LLVKDONJSA-N 1 0 378.336 2.457 20 0 GEADRO O[C@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000639201268 652927022 /nfs/dbraw/zinc/92/70/22/652927022.db2.gz HMHVQZDBVGBULO-CMPLNLGQSA-N 1 0 379.180 2.427 20 0 GEADRO C[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C1CCN(CC(F)(F)F)CC1 ZINC000639255564 652928546 /nfs/dbraw/zinc/92/85/46/652928546.db2.gz ZRNCOBBDOZMMKX-UHFFFAOYSA-N 1 0 399.866 2.446 20 0 GEADRO CC[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCCOC1 ZINC000639292864 652931365 /nfs/dbraw/zinc/93/13/65/652931365.db2.gz ACWSBOWNXZUXBT-GFCCVEGCSA-N 1 0 377.304 2.097 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)o1 ZINC000639308638 652931693 /nfs/dbraw/zinc/93/16/93/652931693.db2.gz HMECPLABPOJYCT-KRWDZBQOSA-N 1 0 384.885 2.462 20 0 GEADRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000639329356 652932258 /nfs/dbraw/zinc/93/22/58/652932258.db2.gz DAPYGMVYWMORNV-LBPRGKRZSA-N 1 0 380.290 2.228 20 0 GEADRO COc1nsc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1Br ZINC000639327440 652932404 /nfs/dbraw/zinc/93/24/04/652932404.db2.gz KOUFISJMMNZEGK-NSHDSACASA-N 1 0 376.320 2.257 20 0 GEADRO Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000639348331 652933191 /nfs/dbraw/zinc/93/31/91/652933191.db2.gz VXOYABFSXBTQBF-GFCCVEGCSA-N 1 0 378.267 2.382 20 0 GEADRO CCC(O)(CC)C[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639356214 652933898 /nfs/dbraw/zinc/93/38/98/652933898.db2.gz FWDCAMXMDDNDHI-UHFFFAOYSA-N 1 0 379.320 2.079 20 0 GEADRO Cc1c([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)nnn1-c1cccc(Cl)c1 ZINC000675745425 652939558 /nfs/dbraw/zinc/93/95/58/652939558.db2.gz NGRPMRPAKOQXIG-LBPRGKRZSA-N 1 0 385.921 2.161 20 0 GEADRO Fc1cc(CN2CC[NH+](C[C@H]3CCc4ncnn43)CC2)ccc1Br ZINC000639518599 652939648 /nfs/dbraw/zinc/93/96/48/652939648.db2.gz KMRCLMBHOOBGPH-CQSZACIVSA-N 1 0 394.292 2.485 20 0 GEADRO C[C@H]1OCC[C@@H]1C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000639520129 652939673 /nfs/dbraw/zinc/93/96/73/652939673.db2.gz XESOIOUYWDPVRM-HUUCEWRRSA-N 1 0 396.329 2.430 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)NC[C@H]3C[N@@H+](C)CCN3C)s2)cs1 ZINC000600906480 652939645 /nfs/dbraw/zinc/93/96/45/652939645.db2.gz YHHWHMUMTQWDHA-ZDUSSCGKSA-N 1 0 379.555 2.225 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2ccc(I)cc2)nn1)C1CCOCC1 ZINC000600970648 652946489 /nfs/dbraw/zinc/94/64/89/652946489.db2.gz YLIDUMBEFQJFQQ-OAHLLOKOSA-N 1 0 398.248 2.357 20 0 GEADRO Nc1nnc(C2CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)o1 ZINC000639725195 652950136 /nfs/dbraw/zinc/95/01/36/652950136.db2.gz ISOUFBGDMSINTH-LBPRGKRZSA-N 1 0 387.267 2.578 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000639760720 652951974 /nfs/dbraw/zinc/95/19/74/652951974.db2.gz CAQRTSAPJMUUIQ-KSSFIOAISA-N 1 0 398.345 2.473 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000639762937 652952272 /nfs/dbraw/zinc/95/22/72/652952272.db2.gz ATIGVGDVIRPCHL-QGZVFWFLSA-N 1 0 395.301 2.388 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cnc1Cl ZINC000767821411 652952495 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Cc1[nH]nc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000616010956 652966992 /nfs/dbraw/zinc/96/69/92/652966992.db2.gz UCZMUCKRMZJHKL-INIZCTEOSA-N 1 0 379.258 2.056 20 0 GEADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(Br)c[nH]c3=O)n2)CC1 ZINC000621977832 653000593 /nfs/dbraw/zinc/00/05/93/653000593.db2.gz ZYEJYLLAHXVMKI-UHFFFAOYSA-N 1 0 380.246 2.265 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000601293716 653084955 /nfs/dbraw/zinc/08/49/55/653084955.db2.gz BTCXRCSPOUGIQA-UINNMSKDSA-N 1 0 387.249 2.231 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000601296068 653085260 /nfs/dbraw/zinc/08/52/60/653085260.db2.gz OIUMAPUEWMDSEJ-DCAQKATOSA-N 1 0 387.274 2.175 20 0 GEADRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000639852545 653086413 /nfs/dbraw/zinc/08/64/13/653086413.db2.gz UMFHYXHOWGOEMQ-RPVQJOFSSA-N 1 0 387.307 2.475 20 0 GEADRO C[C@](O)(C[C@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000639890330 653087527 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CC[N@H+](CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)C(C)C ZINC000768166683 653103599 /nfs/dbraw/zinc/10/35/99/653103599.db2.gz NLGMDHDFXWLVKB-UHFFFAOYSA-N 1 0 391.697 2.283 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000676731877 653105296 /nfs/dbraw/zinc/10/52/96/653105296.db2.gz XABJEEFQFNWBCA-LRVUVFPRSA-N 1 0 387.571 2.344 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)c2cccn3c(I)cnc23)CC[N@H+]1C ZINC000771409127 653110732 /nfs/dbraw/zinc/11/07/32/653110732.db2.gz XJACNFGUZLDOJG-MNOVXSKESA-N 1 0 398.248 2.104 20 0 GEADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccn2c(I)cnc12 ZINC000771409128 653110796 /nfs/dbraw/zinc/11/07/96/653110796.db2.gz XJACNFGUZLDOJG-QWRGUYRKSA-N 1 0 398.248 2.104 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000771576150 653116516 /nfs/dbraw/zinc/11/65/16/653116516.db2.gz MRNRCBJHLFVPQT-UHFFFAOYSA-N 1 0 385.917 2.046 20 0 GEADRO O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000640383872 653123359 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C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000678926352 653134382 /nfs/dbraw/zinc/13/43/82/653134382.db2.gz ABCOVTXSVQGTLU-CYBMUJFWSA-N 1 0 385.917 2.314 20 0 GEADRO Cc1ncc(CC[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)s1 ZINC000771975137 653135229 /nfs/dbraw/zinc/13/52/29/653135229.db2.gz DTTLRIRKIRLXCX-GFCCVEGCSA-N 1 0 388.946 2.302 20 0 GEADRO Brc1ccccc1-c1nnc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)o1 ZINC000640795657 653139648 /nfs/dbraw/zinc/13/96/48/653139648.db2.gz YKEDIYTXAVUEMM-LLVKDONJSA-N 1 0 389.257 2.291 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640800429 653140023 /nfs/dbraw/zinc/14/00/23/653140023.db2.gz FYJZJKAAJOXULF-LBPRGKRZSA-N 1 0 395.305 2.021 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000679196847 653140043 /nfs/dbraw/zinc/14/00/43/653140043.db2.gz HSLCIORQYKJIID-GFCCVEGCSA-N 1 0 381.420 2.175 20 0 GEADRO Brc1cc2c(cc1Cn1cc(C[C@H]3CC[NH2+]C3)nn1)OCCO2 ZINC000640851176 653142587 /nfs/dbraw/zinc/14/25/87/653142587.db2.gz FKLLUADKISJDFK-LLVKDONJSA-N 1 0 379.258 2.012 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640880799 653143658 /nfs/dbraw/zinc/14/36/58/653143658.db2.gz MICYQLOEGWYXQQ-GFCCVEGCSA-N 1 0 395.305 2.021 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640882806 653144159 /nfs/dbraw/zinc/14/41/59/653144159.db2.gz DNDKPKHJZGDRRI-LBPRGKRZSA-N 1 0 382.295 2.396 20 0 GEADRO O=C(Cn1cc(C[NH2+]C2CCCC2)nn1)Nc1ccc(Br)cn1 ZINC000640898250 653144937 /nfs/dbraw/zinc/14/49/37/653144937.db2.gz VZQDGYUOMXWZTP-UHFFFAOYSA-N 1 0 379.262 2.107 20 0 GEADRO COCC[C@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640900745 653145170 /nfs/dbraw/zinc/14/51/70/653145170.db2.gz BSYWCWHIWDOGME-NEPJUHHUSA-N 1 0 396.289 2.147 20 0 GEADRO COC[C@@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640905620 653145659 /nfs/dbraw/zinc/14/56/59/653145659.db2.gz AKMICCBRXLKCGF-RYUDHWBXSA-N 1 0 396.289 2.065 20 0 GEADRO [NH3+]C[C@@H](O)CCc1cn(Cc2csc(Cc3ccc(Cl)cc3)n2)nn1 ZINC000640949790 653147363 /nfs/dbraw/zinc/14/73/63/653147363.db2.gz ZESSNJYYTRVLER-INIZCTEOSA-N 1 0 377.901 2.279 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@H](n2ccnc2)C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000602135648 653149576 /nfs/dbraw/zinc/14/95/76/653149576.db2.gz LICNNSJJBBZEFU-MJBXVCDLSA-N 1 0 376.448 2.415 20 0 GEADRO CCOc1nnc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)s1 ZINC000640993983 653149766 /nfs/dbraw/zinc/14/97/66/653149766.db2.gz LEYOFGFWBYWVSI-CYBMUJFWSA-N 1 0 395.286 2.387 20 0 GEADRO CCOC(=O)[C@H](NC(=O)[C@@H](C)[NH+](C)C)c1ccc(OC)c(Br)c1 ZINC000602142486 653150589 /nfs/dbraw/zinc/15/05/89/653150589.db2.gz KKYXELLDFYLEQL-QMTHXVAHSA-N 1 0 387.274 2.128 20 0 GEADRO [NH3+][C@H](c1cn(CC(=O)NCC2CCC2)nn1)c1ccc(Br)cc1 ZINC000641031558 653151443 /nfs/dbraw/zinc/15/14/43/653151443.db2.gz QEOAFOWCEPMSHS-INIZCTEOSA-N 1 0 378.274 2.005 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000679820284 653153396 /nfs/dbraw/zinc/15/33/96/653153396.db2.gz ZAABWIMXILMXAD-GASCZTMLSA-N 1 0 385.302 2.212 20 0 GEADRO C[N@H+](Cc1cn(Cc2csc(CS(C)(=O)=O)n2)nn1)C1CCCCC1 ZINC000641073269 653154562 /nfs/dbraw/zinc/15/45/62/653154562.db2.gz OOANWAAMTFQKSV-UHFFFAOYSA-N 1 0 383.543 2.092 20 0 GEADRO COC[C@@H]([NH3+])Cc1cn(Cc2ncc(-c3ccc(Br)cc3)o2)nn1 ZINC000641073306 653154786 /nfs/dbraw/zinc/15/47/86/653154786.db2.gz RIVCVJAVMFMWIC-ZDUSSCGKSA-N 1 0 392.257 2.260 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2cn(CC3CC3)nn2)nn1)c1ccc(Br)cc1 ZINC000641108985 653157905 /nfs/dbraw/zinc/15/79/05/653157905.db2.gz CUVIJVKGPFWKLX-MRXNPFEDSA-N 1 0 388.273 2.139 20 0 GEADRO Cn1cc(I)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000602224937 653159185 /nfs/dbraw/zinc/15/91/85/653159185.db2.gz HVUNFGFVOXPPLM-CYBMUJFWSA-N 1 0 398.248 2.057 20 0 GEADRO [NH3+][C@H](c1cn(Cc2nc3ccc(Br)cc3o2)nn1)[C@@H]1CCCO1 ZINC000641130489 653160115 /nfs/dbraw/zinc/16/01/15/653160115.db2.gz NLMFKSVMZITVRP-SWLSCSKDSA-N 1 0 378.230 2.409 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2nc3cc(Br)ccc3o2)nn1)[C@@H]1CCCO1 ZINC000641130710 653160982 /nfs/dbraw/zinc/16/09/82/653160982.db2.gz OKNLDUOMHHZYPW-ZFWWWQNUSA-N 1 0 378.230 2.409 20 0 GEADRO C[NH+](C)CCc1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164148 653164523 /nfs/dbraw/zinc/16/45/23/653164523.db2.gz CQIBXUOJLVGTMG-OAHLLOKOSA-N 1 0 378.274 2.271 20 0 GEADRO Cc1cc(Br)cn2c(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cnc12 ZINC000680329762 653164857 /nfs/dbraw/zinc/16/48/57/653164857.db2.gz QFCIGLBWTSYNPB-IRXDYDNUSA-N 1 0 393.329 2.436 20 0 GEADRO Cn1c(Cn2cc([C@@H]([NH3+])[C@@H]3CCCO3)nn2)nc2ccc(Br)cc21 ZINC000641172418 653165309 /nfs/dbraw/zinc/16/53/09/653165309.db2.gz GGVJNYZVOAGZOA-GOEBONIOSA-N 1 0 391.273 2.154 20 0 GEADRO C[NH2+][C@H](C)c1cn(C[C@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000641213855 653169965 /nfs/dbraw/zinc/16/99/65/653169965.db2.gz HDRPINZKEZGHJN-KOLCDFICSA-N 1 0 389.681 2.414 20 0 GEADRO CCc1nnc([C@H](C)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)[nH]1 ZINC000641209357 653170086 /nfs/dbraw/zinc/17/00/86/653170086.db2.gz URUULZDDGZVOJZ-XPTSAGLGSA-N 1 0 376.262 2.379 20 0 GEADRO C[NH2+][C@@H](C)c1cn(C[C@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000641213858 653170808 /nfs/dbraw/zinc/17/08/08/653170808.db2.gz HDRPINZKEZGHJN-ONGXEEELSA-N 1 0 389.681 2.414 20 0 GEADRO NC(=O)C[C@@H]([NH2+]Cc1ccc(I)s1)C1CCOCC1 ZINC000602610542 653194320 /nfs/dbraw/zinc/19/43/20/653194320.db2.gz ATNBBUNJEPNQSS-LLVKDONJSA-N 1 0 394.278 2.113 20 0 GEADRO C[C@@](O)(Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1)C(F)(F)F ZINC000641223422 653171417 /nfs/dbraw/zinc/17/14/17/653171417.db2.gz HJSZFEWOYIVYPH-VXGBXAGGSA-N 1 0 379.180 2.402 20 0 GEADRO COc1ccc(-c2cn(C[C@H](O)C[N@H+](C)C3CC3)nn2)cc1Br ZINC000641222134 653171426 /nfs/dbraw/zinc/17/14/26/653171426.db2.gz KOCBEDLMSHGTHY-CYBMUJFWSA-N 1 0 381.274 2.171 20 0 GEADRO C[NH2+]C(C)(C)c1cn(C[C@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641228726 653171782 /nfs/dbraw/zinc/17/17/82/653171782.db2.gz NJEVRNIJTSHLPR-LBPRGKRZSA-N 1 0 387.253 2.074 20 0 GEADRO C[C@](O)(C[C@@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1)C1CC1 ZINC000641231803 653172271 /nfs/dbraw/zinc/17/22/71/653172271.db2.gz ODOBAMFXSBXAAB-PVAVHDDUSA-N 1 0 395.301 2.001 20 0 GEADRO CSC1(CNC(=O)c2cc3ncc(Br)cn3n2)CC[NH+](C)CC1 ZINC000602342038 653172230 /nfs/dbraw/zinc/17/22/30/653172230.db2.gz TULNGVXAWUXOIY-UHFFFAOYSA-N 1 0 398.330 2.049 20 0 GEADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000602345080 653172784 /nfs/dbraw/zinc/17/27/84/653172784.db2.gz HNXDBPPZMJGREG-IAOVAPTHSA-N 1 0 389.323 2.264 20 0 GEADRO COc1cc(CS(=O)(=O)N(CCC[NH+](C)C)Cc2ccccc2)sn1 ZINC000641255178 653172985 /nfs/dbraw/zinc/17/29/85/653172985.db2.gz CAGSAVKRSMBXKP-UHFFFAOYSA-N 1 0 383.539 2.435 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000602348492 653173406 /nfs/dbraw/zinc/17/34/06/653173406.db2.gz QQKGOAOIFMETEW-HUUCEWRRSA-N 1 0 383.286 2.209 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(SCC(F)F)cc1 ZINC000772961981 653174637 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C[C@@H](NC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000602456280 653182601 /nfs/dbraw/zinc/18/26/01/653182601.db2.gz WYUXXRLYOLUWMW-YMXBGEKHSA-N 1 0 377.535 2.488 20 0 GEADRO C[S@@](=O)C1(C(=O)NCCCc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000602454095 653182680 /nfs/dbraw/zinc/18/26/80/653182680.db2.gz OMGXFKWEJIROFI-RUZDIDTESA-N 1 0 376.444 2.255 20 0 GEADRO COc1ccccc1SC[C@@H](C)CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602454268 653182735 /nfs/dbraw/zinc/18/27/35/653182735.db2.gz QUBRMMSRMKLYLL-SXBQZSJRSA-N 1 0 384.567 2.040 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CC[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000641329597 653188113 /nfs/dbraw/zinc/18/81/13/653188113.db2.gz JAUVGYLDGAXQAW-BZSNNMDCSA-N 1 0 376.563 2.002 20 0 GEADRO O[C@H](C[NH2+]CCC[C@@H]1CCO1)COc1ccc(I)cc1 ZINC000602535080 653188984 /nfs/dbraw/zinc/18/89/84/653188984.db2.gz MQKCEOADENTXAA-ZIAGYGMSSA-N 1 0 391.249 2.190 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000602533145 653189019 /nfs/dbraw/zinc/18/90/19/653189019.db2.gz LEOFCTIRJWPVQT-STQMWFEESA-N 1 0 387.299 2.033 20 0 GEADRO [NH3+]C1(CNC(=O)c2ccc(Cl)c(I)c2)CCOCC1 ZINC000602538091 653189639 /nfs/dbraw/zinc/18/96/39/653189639.db2.gz HWZIDMPGIVMIQH-UHFFFAOYSA-N 1 0 394.640 2.182 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(Br)cc1OC ZINC000602538417 653189688 /nfs/dbraw/zinc/18/96/88/653189688.db2.gz CCHZQDHGZDURGG-KBPBESRZSA-N 1 0 399.285 2.402 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000602544168 653190012 /nfs/dbraw/zinc/19/00/12/653190012.db2.gz FEKGWVXHLHTKJY-JSGCOSHPSA-N 1 0 394.269 2.314 20 0 GEADRO [NH3+]CC1(NC(=O)c2cc(Cl)ccc2I)CCOCC1 ZINC000602545519 653190100 /nfs/dbraw/zinc/19/01/00/653190100.db2.gz DWHOCTOOEGWEPB-UHFFFAOYSA-N 1 0 394.640 2.182 20 0 GEADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ncc(Br)cc1F ZINC000681740509 653190655 /nfs/dbraw/zinc/19/06/55/653190655.db2.gz VDDUCCBMYAOLLY-SNVBAGLBSA-N 1 0 380.283 2.059 20 0 GEADRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000769928546 653191265 /nfs/dbraw/zinc/19/12/65/653191265.db2.gz SOIDMECIVIGOPV-DLBZAZTESA-N 1 0 384.567 2.471 20 0 GEADRO O=C(c1cc(F)c(F)cc1I)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602589496 653192811 /nfs/dbraw/zinc/19/28/11/653192811.db2.gz DXRKLLJXQVGXMM-OCAPTIKFSA-N 1 0 378.160 2.146 20 0 GEADRO COc1cc(CS(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)sn1 ZINC000641374254 653194822 /nfs/dbraw/zinc/19/48/22/653194822.db2.gz JGZZYBXKLPKHSH-UHFFFAOYSA-N 1 0 375.541 2.107 20 0 GEADRO O=C(C[NH2+]C1CC(n2cccn2)C1)Nc1ccc(I)cc1 ZINC000602651097 653198219 /nfs/dbraw/zinc/19/82/19/653198219.db2.gz FOUXDFQPOPXVMY-UHFFFAOYSA-N 1 0 396.232 2.420 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000770163489 653201574 /nfs/dbraw/zinc/20/15/74/653201574.db2.gz MMGSUWYFFJHERR-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO CO[C@@H](C[NH2+]CCc1ccc(I)cc1)[C@H]1CCOC1 ZINC000602716181 653202316 /nfs/dbraw/zinc/20/23/16/653202316.db2.gz AGZALWYXCGTUEV-ZFWWWQNUSA-N 1 0 375.250 2.475 20 0 GEADRO O=S(=O)(CCn1ccnc1)N1CCc2c(Br)ccc(F)c2C1 ZINC000641423377 653203856 /nfs/dbraw/zinc/20/38/56/653203856.db2.gz RLQZKIDNBONZRL-UHFFFAOYSA-N 1 0 388.262 2.173 20 0 GEADRO COC(=O)CN1CCC([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000602737744 653204142 /nfs/dbraw/zinc/20/41/42/653204142.db2.gz ZTZAFHNPGMOFHB-CGTJXYLNSA-N 1 0 379.298 2.314 20 0 GEADRO O=C(/C=C/c1cc(Br)ccc1F)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000773534017 653204365 /nfs/dbraw/zinc/20/43/65/653204365.db2.gz RLZIOBGUBJDTMT-IJJSQOHJSA-N 1 0 382.277 2.108 20 0 GEADRO O=C(/C=C\c1cc(Br)ccc1F)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000773534022 653204420 /nfs/dbraw/zinc/20/44/20/653204420.db2.gz RLZIOBGUBJDTMT-PRSOIBJXSA-N 1 0 382.277 2.108 20 0 GEADRO COc1ccc(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1Br ZINC000682048897 653205762 /nfs/dbraw/zinc/20/57/62/653205762.db2.gz QHZXEEAWUARVEJ-UHFFFAOYSA-N 1 0 386.290 2.378 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000682274822 653207027 /nfs/dbraw/zinc/20/70/27/653207027.db2.gz WJZDTYPYILUYDP-OAHLLOKOSA-N 1 0 394.313 2.329 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000682274296 653207164 /nfs/dbraw/zinc/20/71/64/653207164.db2.gz QIJJMVSZPJKQHF-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO COc1cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)ccc1Br ZINC000682352916 653208407 /nfs/dbraw/zinc/20/84/07/653208407.db2.gz RLSNQEAKANJSDM-ZDUSSCGKSA-N 1 0 398.301 2.385 20 0 GEADRO COc1cnc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000641467257 653210215 /nfs/dbraw/zinc/21/02/15/653210215.db2.gz HMAZLFZSWBCJBD-BBRMVZONSA-N 1 0 383.334 2.315 20 0 GEADRO COc1cc(Br)c2nc(N3CC[C@H](C[NH+](C)C)C3)nc(N)c2c1 ZINC000641485992 653212361 /nfs/dbraw/zinc/21/23/61/653212361.db2.gz VDNCVEHXAOYVPV-SNVBAGLBSA-N 1 0 380.290 2.371 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cnc1Br ZINC000773949997 653218445 /nfs/dbraw/zinc/21/84/45/653218445.db2.gz QAERPHGOCQOIRI-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808158261 653221244 /nfs/dbraw/zinc/22/12/44/653221244.db2.gz CFVHYEFYAYTIKJ-UONOGXRCSA-N 1 0 378.270 2.212 20 0 GEADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808158262 653221320 /nfs/dbraw/zinc/22/13/20/653221320.db2.gz CFVHYEFYAYTIKJ-ZIAGYGMSSA-N 1 0 378.270 2.212 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000641622843 653224397 /nfs/dbraw/zinc/22/43/97/653224397.db2.gz CHGUHDBRYKQBGL-RYUDHWBXSA-N 1 0 382.452 2.180 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000808334139 653227554 /nfs/dbraw/zinc/22/75/54/653227554.db2.gz AGURNVZNFMBKRE-UHFFFAOYSA-N 1 0 399.504 2.460 20 0 GEADRO CC[NH+](CC)CCCC1CCN(C(=O)NCCS(=O)(=O)C(C)C)CC1 ZINC000808363181 653228695 /nfs/dbraw/zinc/22/86/95/653228695.db2.gz VZVHCWHRAKPIOQ-UHFFFAOYSA-N 1 0 375.579 2.353 20 0 GEADRO CCC1([NH+]2CCOCC2)CCN(c2nc(OC)ncc2Br)CC1 ZINC000641679153 653229789 /nfs/dbraw/zinc/22/97/89/653229789.db2.gz HUENKTXLBTZBPT-UHFFFAOYSA-N 1 0 385.306 2.329 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000774222048 653229812 /nfs/dbraw/zinc/22/98/12/653229812.db2.gz GVYGZLGZRONUDI-VXGBXAGGSA-N 1 0 397.317 2.470 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000774222042 653229823 /nfs/dbraw/zinc/22/98/23/653229823.db2.gz GVYGZLGZRONUDI-TXEJJXNPSA-N 1 0 397.317 2.470 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)c1c(F)cc(S(N)(=O)=O)cc1Br ZINC000683189175 653230317 /nfs/dbraw/zinc/23/03/17/653230317.db2.gz COLCLLULDCLRTB-JTQLQIEISA-N 1 0 394.310 2.014 20 0 GEADRO Cc1ccnc(N[C@H]2CCCN(CCN3CCOCC3)C2)c1Br ZINC000641718673 653232073 /nfs/dbraw/zinc/23/20/73/653232073.db2.gz VBKNUEKXNLFWOD-HNNXBMFYSA-N 1 0 383.334 2.361 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000774277920 653232183 /nfs/dbraw/zinc/23/21/83/653232183.db2.gz FDAGRFVHSRPIBH-YHWZYXNKSA-N 1 0 395.301 2.223 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000641775072 653233335 /nfs/dbraw/zinc/23/33/35/653233335.db2.gz KEJKMCJNMGPHJB-NWDGAFQWSA-N 1 0 394.107 2.423 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccnc2Br)C[C@H]1C ZINC000774315198 653234028 /nfs/dbraw/zinc/23/40/28/653234028.db2.gz YFYDRDPJAFTFEF-NEPJUHHUSA-N 1 0 383.290 2.114 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1C ZINC000774315206 653234060 /nfs/dbraw/zinc/23/40/60/653234060.db2.gz YFYDRDPJAFTFEF-RYUDHWBXSA-N 1 0 383.290 2.114 20 0 GEADRO COC[C@@]1(CNC(=O)N2CCc3cccc(Br)c3C2)CCC[NH2+]1 ZINC000641836937 653235050 /nfs/dbraw/zinc/23/50/50/653235050.db2.gz FYONNNSKPRUWRD-KRWDZBQOSA-N 1 0 382.302 2.285 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000642000311 653236733 /nfs/dbraw/zinc/23/67/33/653236733.db2.gz GRMMXNDIVLCLGP-XJKSGUPXSA-N 1 0 394.313 2.403 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)CC2=O)ccc1Br ZINC000642152416 653238255 /nfs/dbraw/zinc/23/82/55/653238255.db2.gz LTLCABZTMTWWCD-OLZOCXBDSA-N 1 0 382.302 2.177 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000774467044 653238342 /nfs/dbraw/zinc/23/83/42/653238342.db2.gz YPUYVCNSJPPLAO-BZNIZROVSA-N 1 0 399.310 2.481 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1cccc(Br)c1 ZINC000642188120 653238990 /nfs/dbraw/zinc/23/89/90/653238990.db2.gz JRAISQYYWACHPJ-AWEZNQCLSA-N 1 0 391.331 2.232 20 0 GEADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)cc1Cl ZINC000642342366 653244743 /nfs/dbraw/zinc/24/47/43/653244743.db2.gz CINKXLFORDMUTC-ZDUSSCGKSA-N 1 0 375.922 2.237 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642351398 653244905 /nfs/dbraw/zinc/24/49/05/653244905.db2.gz OSXSWWZSJFFKIQ-CZUORRHYSA-N 1 0 384.307 2.253 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000809191361 653255884 /nfs/dbraw/zinc/25/58/84/653255884.db2.gz TWLFQQIQLNRPEH-UHFFFAOYSA-N 1 0 388.354 2.014 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)nc1Br ZINC000874121500 653265531 /nfs/dbraw/zinc/26/55/31/653265531.db2.gz ZJNNTYVGNNUJHF-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000874121492 653265647 /nfs/dbraw/zinc/26/56/47/653265647.db2.gz ZALHZMSDOVRJEP-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ncc(Br)s2)cn1 ZINC000874123607 653266041 /nfs/dbraw/zinc/26/60/41/653266041.db2.gz QENVYUASVFOVMX-GHMZBOCLSA-N 1 0 384.303 2.313 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)NC2CC[NH+](C)CC2)c(F)cc1Cl ZINC000809388608 653266048 /nfs/dbraw/zinc/26/60/48/653266048.db2.gz VXQOXEFKCJUYRI-UHFFFAOYSA-N 1 0 378.853 2.028 20 0 GEADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000809425234 653270806 /nfs/dbraw/zinc/27/08/06/653270806.db2.gz VNWJBXJXWLQAKQ-UHFFFAOYSA-N 1 0 391.921 2.380 20 0 GEADRO CCc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)[NH+](C)C)cc1 ZINC000774947540 653272316 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CN1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000858128025 653349508 /nfs/dbraw/zinc/34/95/08/653349508.db2.gz YFJFIGMWUBNGED-INIZCTEOSA-N 1 0 388.339 2.498 20 0 GEADRO Cn1cc(CN[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c(Br)n1 ZINC000858121792 653349771 /nfs/dbraw/zinc/34/97/71/653349771.db2.gz HDNYFSAWOSKLSJ-KRWDZBQOSA-N 1 0 392.345 2.261 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(Br)n1 ZINC000858143834 653350544 /nfs/dbraw/zinc/35/05/44/653350544.db2.gz YCPDMYQEHRCZLZ-DOTOQJQBSA-N 1 0 393.329 2.155 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ncc(Cl)s1)c1ccco1 ZINC000875117900 653352544 /nfs/dbraw/zinc/35/25/44/653352544.db2.gz GNCHHWNISKTAEQ-NSHDSACASA-N 1 0 384.889 2.205 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ncc(Cl)s2)C1 ZINC000875121882 653353030 /nfs/dbraw/zinc/35/30/30/653353030.db2.gz GVIDAWNYWDIVEK-TXEJJXNPSA-N 1 0 386.949 2.285 20 0 GEADRO CSc1ncc(Cl)c(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)n1 ZINC000810766806 653356253 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CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C1 ZINC000859227936 653426006 /nfs/dbraw/zinc/42/60/06/653426006.db2.gz MINYTQYTKVWOQE-NSHDSACASA-N 1 0 375.878 2.281 20 0 GEADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)nc1F ZINC000859226684 653426060 /nfs/dbraw/zinc/42/60/60/653426060.db2.gz PKWCYKHKZDIRNI-SNVBAGLBSA-N 1 0 380.283 2.088 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837317399 653426877 /nfs/dbraw/zinc/42/68/77/653426877.db2.gz NOITUKYKSTWXFT-CYBMUJFWSA-N 1 0 399.333 2.069 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)c2c(Br)nc3n2CCCC3)C[C@@H](C)O1 ZINC000837323873 653427364 /nfs/dbraw/zinc/42/73/64/653427364.db2.gz VFKNGMNAVHZSCE-CHWSQXEVSA-N 1 0 399.333 2.211 20 0 GEADRO Cc1nonc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000876439290 653428513 /nfs/dbraw/zinc/42/85/13/653428513.db2.gz HLRODLYKKFLMKI-UHFFFAOYSA-N 1 0 396.289 2.414 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)CCc1ccccc1Br ZINC000812505687 653430483 /nfs/dbraw/zinc/43/04/83/653430483.db2.gz 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[NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc2ccnc(Cl)c2s1 ZINC000876832204 653449769 /nfs/dbraw/zinc/44/97/69/653449769.db2.gz BGGSLNFFGFMOLS-LBPRGKRZSA-N 1 0 380.901 2.409 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2cc(Br)cnc2F)CC1 ZINC000859357770 653449772 /nfs/dbraw/zinc/44/97/72/653449772.db2.gz NECIDOOFIBMXFP-UHFFFAOYSA-N 1 0 387.297 2.131 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000876835532 653450188 /nfs/dbraw/zinc/45/01/88/653450188.db2.gz XNKSCOJKJUAQKV-AWEZNQCLSA-N 1 0 386.279 2.022 20 0 GEADRO C[C@@H]1C[N@H+](CCCNC(=O)c2c(Br)nc3n2CCCC3)CCCO1 ZINC000837579769 653451185 /nfs/dbraw/zinc/45/11/85/653451185.db2.gz KYMBTHSPLVGISQ-CYBMUJFWSA-N 1 0 399.333 2.213 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000812989519 653451534 /nfs/dbraw/zinc/45/15/34/653451534.db2.gz IVLASHBCZGKMJV-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000812991893 653452175 /nfs/dbraw/zinc/45/21/75/653452175.db2.gz 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2.162 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])C2=O)ccc1Br ZINC000861619127 653663334 /nfs/dbraw/zinc/66/33/34/653663334.db2.gz XDHCFQYLVNSUDT-DOMZBBRYSA-N 1 0 397.317 2.242 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(C4SCCS4)c3)[C@H]2C1 ZINC000815704985 653663714 /nfs/dbraw/zinc/66/37/14/653663714.db2.gz VKRXBSMCWCVZCE-HIFRSBDPSA-N 1 0 377.535 2.266 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)n2)CC[N@@H+](C2CCC2)C1 ZINC000815734288 653664099 /nfs/dbraw/zinc/66/40/99/653664099.db2.gz YDSNOHRCYRZXLA-LBPRGKRZSA-N 1 0 395.301 2.115 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(Br)c1 ZINC000861690108 653664832 /nfs/dbraw/zinc/66/48/32/653664832.db2.gz LVVNOMMSDGAAJT-GXFFZTMASA-N 1 0 384.274 2.175 20 0 GEADRO O=C(c1nc(Br)sc1C1CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861716208 653665383 /nfs/dbraw/zinc/66/53/83/653665383.db2.gz TXNKGQYFSSDFQZ-MNOVXSKESA-N 1 0 386.315 2.064 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cn3c(Br)cnc3s2)C[C@@H]1[NH+](C)C 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CC(=O)N[C@@H](C(=O)N(CC[NH+](C)C)C1CC1)c1cccc(Br)c1 ZINC000879528183 653671422 /nfs/dbraw/zinc/67/14/22/653671422.db2.gz OBPFIXVURXXIFM-MRXNPFEDSA-N 1 0 382.302 2.179 20 0 GEADRO COc1ccc([C@@H]2CN(C[C@H](O)c3cc(Br)no3)CC[NH2+]2)cc1 ZINC000879522711 653671497 /nfs/dbraw/zinc/67/14/97/653671497.db2.gz KXRSEGSQZFPYME-KBPBESRZSA-N 1 0 382.258 2.126 20 0 GEADRO O=C(C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)c1ccc(Br)cc1 ZINC000861985523 653672488 /nfs/dbraw/zinc/67/24/88/653672488.db2.gz YHWQWBGSVXSPDT-UHFFFAOYSA-N 1 0 395.297 2.345 20 0 GEADRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879560335 653673136 /nfs/dbraw/zinc/67/31/36/653673136.db2.gz GHOXQZWLZPFOBC-UONOGXRCSA-N 1 0 381.929 2.388 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879575910 653673330 /nfs/dbraw/zinc/67/33/30/653673330.db2.gz OMRPUGVXLKYSDU-WFASDCNBSA-N 1 0 386.359 2.495 20 0 GEADRO CN1CC[NH+](C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000879592350 653673780 /nfs/dbraw/zinc/67/37/80/653673780.db2.gz JTGXNPJNDJSPTG-UHFFFAOYSA-N 1 0 395.345 2.099 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000862092612 653675274 /nfs/dbraw/zinc/67/52/74/653675274.db2.gz YKLGTVPECZHIAK-ZDUSSCGKSA-N 1 0 395.301 2.224 20 0 GEADRO COCCN1CCN(C(=O)c2cc(Br)cc(C=O)c2)C(C)(C)C1 ZINC000862134768 653676722 /nfs/dbraw/zinc/67/67/22/653676722.db2.gz QZJHBLPZUUWTGA-UHFFFAOYSA-N 1 0 383.286 2.444 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[N@H+](CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000840173611 653678386 /nfs/dbraw/zinc/67/83/86/653678386.db2.gz DEKMHOIGPHWAPY-GDBMZVCRSA-N 1 0 394.313 2.133 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cnc(Br)cc2C)CC1 ZINC000783466029 653679518 /nfs/dbraw/zinc/67/95/18/653679518.db2.gz CZUONZUIANYTEW-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000840288607 653681533 /nfs/dbraw/zinc/68/15/33/653681533.db2.gz CQTSCGWYELIYKJ-LSDHHAIUSA-N 1 0 382.302 2.420 20 0 GEADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CCS(=O)(=O)CC1CC1 ZINC000862289456 653682742 /nfs/dbraw/zinc/68/27/42/653682742.db2.gz GJHVVPWVJROAHO-ZDUSSCGKSA-N 1 0 382.473 2.046 20 0 GEADRO Cn1ncc(Br)c1CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000879827775 653683403 /nfs/dbraw/zinc/68/34/03/653683403.db2.gz WAZQTFDVUCHJCW-OAHLLOKOSA-N 1 0 391.313 2.363 20 0 GEADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CS1(=O)=O ZINC000862414160 653686030 /nfs/dbraw/zinc/68/60/30/653686030.db2.gz ODMJQTYHLWQSHM-UPJWGTAASA-N 1 0 382.473 2.186 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862419287 653686457 /nfs/dbraw/zinc/68/64/57/653686457.db2.gz PXPBZMVORXGKLK-LBPRGKRZSA-N 1 0 382.473 2.188 20 0 GEADRO Cn1nnnc1C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000879915362 653686985 /nfs/dbraw/zinc/68/69/85/653686985.db2.gz CUEZHSOASTVCPW-LBPRGKRZSA-N 1 0 386.283 2.136 20 0 GEADRO Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)c1Cl ZINC000862537517 653687955 /nfs/dbraw/zinc/68/79/55/653687955.db2.gz BZZOICLTZDSNER-SQNXGDPESA-N 1 0 376.810 2.305 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1nc(Br)sc1C1CC1 ZINC000816567277 653687987 /nfs/dbraw/zinc/68/79/87/653687987.db2.gz VXNSMRIRRLQQKT-NSHDSACASA-N 1 0 388.331 2.360 20 0 GEADRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1Cl ZINC000879940396 653689191 /nfs/dbraw/zinc/68/91/91/653689191.db2.gz NQWSBGCQFRNALQ-OLZOCXBDSA-N 1 0 386.901 2.044 20 0 GEADRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccn(C)n1 ZINC000840733519 653692139 /nfs/dbraw/zinc/69/21/39/653692139.db2.gz UPEGPTWDQLEPDY-NSHDSACASA-N 1 0 377.388 2.443 20 0 GEADRO Cc1nc(Br)sc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000816839184 653694490 /nfs/dbraw/zinc/69/44/90/653694490.db2.gz XHSDVZKRNKDEMB-NXEZZACHSA-N 1 0 376.320 2.443 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2csc(I)n2)C1 ZINC000862797390 653695441 /nfs/dbraw/zinc/69/54/41/653695441.db2.gz XCZATJCKCYIFPK-SECBINFHSA-N 1 0 379.267 2.209 20 0 GEADRO 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O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841249289 653712445 /nfs/dbraw/zinc/71/24/45/653712445.db2.gz ATTXLUNZGVENOV-QWHCGFSZSA-N 1 0 395.301 2.021 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841255611 653712559 /nfs/dbraw/zinc/71/25/59/653712559.db2.gz WYPCYFQTRDEUEH-QWHCGFSZSA-N 1 0 395.301 2.021 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)NC2CCC([NH+](C)C)CC2)ccc1Cl ZINC000817483861 653712753 /nfs/dbraw/zinc/71/27/53/653712753.db2.gz KWOMANJUNNTHPV-UHFFFAOYSA-N 1 0 387.933 2.193 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841262603 653712783 /nfs/dbraw/zinc/71/27/83/653712783.db2.gz WKKRAPZUZSEPBJ-SECBINFHSA-N 1 0 393.843 2.088 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NC2CC[NH+](C)CC2)c(Br)c1 ZINC000785581725 653712817 /nfs/dbraw/zinc/71/28/17/653712817.db2.gz TUHIXMXOHLTFAJ-UHFFFAOYSA-N 1 0 384.274 2.129 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000785581736 653712832 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CC(=O)c1ccc(Br)c(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000880806174 653715107 /nfs/dbraw/zinc/71/51/07/653715107.db2.gz ZDKFPYIPEARCOP-ZDUSSCGKSA-N 1 0 383.290 2.019 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000880808599 653715534 /nfs/dbraw/zinc/71/55/34/653715534.db2.gz DPIRQZYEXQJXGW-UHFFFAOYSA-N 1 0 384.274 2.230 20 0 GEADRO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]CCS(=O)(=O)C(C)(C)C)CC1 ZINC000863550834 653715629 /nfs/dbraw/zinc/71/56/29/653715629.db2.gz BNKIOHLDHXCJHI-UHFFFAOYSA-N 1 0 377.547 2.052 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841438876 653717261 /nfs/dbraw/zinc/71/72/61/653717261.db2.gz VPOPCCIQOZMUKI-GWCFXTLKSA-N 1 0 377.238 2.332 20 0 GEADRO O=C(Nc1cnc2ccccc2c1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000880940924 653717619 /nfs/dbraw/zinc/71/76/19/653717619.db2.gz QFFRDFKHGLAAIK-NWDGAFQWSA-N 1 0 391.269 2.280 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(F)cc1Cl ZINC000841480637 653719539 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CCC(C)(C)[NH+]1CCN(Cc2cn(C)nc2I)CC1 ZINC000864049866 653724618 /nfs/dbraw/zinc/72/46/18/653724618.db2.gz MYKFTYRSJNFZOW-UHFFFAOYSA-N 1 0 376.286 2.331 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000864053124 653725092 /nfs/dbraw/zinc/72/50/92/653725092.db2.gz SNPMJXVBGFUXDP-UHFFFAOYSA-N 1 0 377.270 2.446 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1C(F)F ZINC000841517333 653725306 /nfs/dbraw/zinc/72/53/06/653725306.db2.gz PTOWLNSFAIUNKY-UHFFFAOYSA-N 1 0 376.473 2.163 20 0 GEADRO CCN(C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)[C@H]1CC[N@H+](C)C1 ZINC000881273172 653725530 /nfs/dbraw/zinc/72/55/30/653725530.db2.gz NHJIQSCSRUDATP-NSHDSACASA-N 1 0 397.273 2.338 20 0 GEADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881273662 653726024 /nfs/dbraw/zinc/72/60/24/653726024.db2.gz PDHUNQOAAQUZDG-NSHDSACASA-N 1 0 397.273 2.338 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c(F)cc1Cl ZINC000841521591 653726327 /nfs/dbraw/zinc/72/63/27/653726327.db2.gz PRLNZONIKPRDIJ-JTQLQIEISA-N 1 0 380.869 2.132 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c(F)cc1Cl ZINC000841526919 653727642 /nfs/dbraw/zinc/72/76/42/653727642.db2.gz DBQDWBQLKLWWDH-UHFFFAOYSA-N 1 0 392.880 2.418 20 0 GEADRO COC(=O)c1ccc(Br)cc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000881340107 653727650 /nfs/dbraw/zinc/72/76/50/653727650.db2.gz QHQPKTPTOAZKGM-LBPRGKRZSA-N 1 0 393.285 2.418 20 0 GEADRO Cc1cccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1Br ZINC000786747212 653727871 /nfs/dbraw/zinc/72/78/71/653727871.db2.gz ANHVUFBMPGFGCU-GJZGRUSLSA-N 1 0 382.302 2.420 20 0 GEADRO C[C@@H]1CC2(CN1C(=O)CN1C(=S)N=NC1c1cccs1)CC[NH2+]CC2 ZINC000818291967 653728834 /nfs/dbraw/zinc/72/88/34/653728834.db2.gz FJKMLRXCGJFEEQ-GFCCVEGCSA-N 1 0 377.539 2.286 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@H](O)c2ccc(F)c(Br)c2)nn1)C1CCOCC1 ZINC000881417837 653730280 /nfs/dbraw/zinc/73/02/80/653730280.db2.gz PGXRPTXPHKUQIU-JKSUJKDBSA-N 1 0 399.264 2.340 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@@H](O)c2ccccc2Br)nn1)C1CCOCC1 ZINC000881418304 653730443 /nfs/dbraw/zinc/73/04/43/653730443.db2.gz FYQIUQGEVAWYQN-HZPDHXFCSA-N 1 0 381.274 2.201 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000841547137 653731181 /nfs/dbraw/zinc/73/11/81/653731181.db2.gz XDTGEDLZIJVPJZ-UHFFFAOYSA-N 1 0 380.491 2.171 20 0 GEADRO C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)n1cc(Br)cn1 ZINC000881478261 653732365 /nfs/dbraw/zinc/73/23/65/653732365.db2.gz IDURSIUIBPFHEA-XJKSGUPXSA-N 1 0 399.333 2.356 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000818522177 653732469 /nfs/dbraw/zinc/73/24/69/653732469.db2.gz HLONHMWVAIOYDN-QMTHXVAHSA-N 1 0 389.315 2.100 20 0 GEADRO CN(C(=O)c1cc(S(C)(=O)=O)ccc1Br)C1CCC([NH3+])CC1 ZINC000818529124 653733045 /nfs/dbraw/zinc/73/30/45/653733045.db2.gz VNOMAYYZMKGKEM-UHFFFAOYSA-N 1 0 389.315 2.195 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000818555086 653733222 /nfs/dbraw/zinc/73/32/22/653733222.db2.gz YGLCZRITXNXKNO-QGZVFWFLSA-N 1 0 387.933 2.228 20 0 GEADRO CCCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000818544471 653733289 /nfs/dbraw/zinc/73/32/89/653733289.db2.gz AXWRFIQRYFBXLC-CQSZACIVSA-N 1 0 385.917 2.094 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000818563022 653733618 /nfs/dbraw/zinc/73/36/18/653733618.db2.gz AUTUHJBBXXWQDB-OLZOCXBDSA-N 1 0 387.933 2.180 20 0 GEADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3sccc3S(=O)(=O)C(F)F)cc2C1 ZINC000818564210 653733625 /nfs/dbraw/zinc/73/36/25/653733625.db2.gz XYYFLGRSOHCFLA-SECBINFHSA-N 1 0 387.433 2.208 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000818563468 653733627 /nfs/dbraw/zinc/73/36/27/653733627.db2.gz MQELHMZBXZNGJY-RYUDHWBXSA-N 1 0 387.933 2.226 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1Cl ZINC000818563030 653733680 /nfs/dbraw/zinc/73/36/80/653733680.db2.gz AYWFLPZOASSWSM-QWHCGFSZSA-N 1 0 387.933 2.180 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cn(-c4ccccc4Br)nn3)C[C@H]21 ZINC000818575900 653733834 /nfs/dbraw/zinc/73/38/34/653733834.db2.gz LRUCOILFZVNMPQ-OUCADQQQSA-N 1 0 390.285 2.229 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000818590434 653733962 /nfs/dbraw/zinc/73/39/62/653733962.db2.gz SGHYEMSJMPXHAK-JRPNMDOOSA-N 1 0 378.274 2.146 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC000818593960 653734239 /nfs/dbraw/zinc/73/42/39/653734239.db2.gz WPUGADQMOOAMDJ-KRWDZBQOSA-N 1 0 387.933 2.228 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCC[C@@H]2CC[NH3+])c1 ZINC000818591944 653734259 /nfs/dbraw/zinc/73/42/59/653734259.db2.gz QILPRRNZTKBTPW-LLVKDONJSA-N 1 0 389.315 2.196 20 0 GEADRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000881628520 653734207 /nfs/dbraw/zinc/73/42/07/653734207.db2.gz UPHSURAOLXVKFR-UHFFFAOYSA-N 1 0 384.322 2.448 20 0 GEADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1sccc1S(=O)(=O)C(F)F ZINC000818597434 653734457 /nfs/dbraw/zinc/73/44/57/653734457.db2.gz WBCQCYBDWUBKTD-UHFFFAOYSA-N 1 0 388.417 2.479 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C2(C[NH3+])CCC2)c1 ZINC000818596210 653734511 /nfs/dbraw/zinc/73/45/11/653734511.db2.gz COXZTHNBCMDXKA-UHFFFAOYSA-N 1 0 387.933 2.324 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000787305780 653736930 /nfs/dbraw/zinc/73/69/30/653736930.db2.gz ONBDYUJMARFFTM-DZUCGIPZSA-N 1 0 385.599 2.261 20 0 GEADRO Cn1nc(I)cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000864479529 653737523 /nfs/dbraw/zinc/73/75/23/653737523.db2.gz FKSGEJASPZTCNL-ZDUSSCGKSA-N 1 0 398.248 2.057 20 0 GEADRO C[C@](O)(C[NH2+]CCNC(=O)c1cccnc1)c1ccc(Br)cc1F ZINC000818957670 653739417 /nfs/dbraw/zinc/73/94/17/653739417.db2.gz YMMGMBMBSRCMOC-KRWDZBQOSA-N 1 0 396.260 2.210 20 0 GEADRO C[C@@](O)(C[NH2+]CCc1nnc2n1CCC2)c1ccc(Br)cc1F ZINC000818965285 653739686 /nfs/dbraw/zinc/73/96/86/653739686.db2.gz GVWSWWJSOLSFSJ-MRXNPFEDSA-N 1 0 383.265 2.166 20 0 GEADRO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000819009307 653740695 /nfs/dbraw/zinc/74/06/95/653740695.db2.gz JXBWCHVDLOYJMP-QGZVFWFLSA-N 1 0 392.297 2.168 20 0 GEADRO CC1(C)COCCN1CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819014788 653740876 /nfs/dbraw/zinc/74/08/76/653740876.db2.gz UYEGLEHRAZLREC-OAHLLOKOSA-N 1 0 375.282 2.322 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)[C@H](C)N1CCOCC1 ZINC000819020795 653740964 /nfs/dbraw/zinc/74/09/64/653740964.db2.gz MEYZYFKMNKEMJI-MKBNYLNASA-N 1 0 375.282 2.320 20 0 GEADRO CC1(C)COCCN1CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819014787 653740979 /nfs/dbraw/zinc/74/09/79/653740979.db2.gz UYEGLEHRAZLREC-HNNXBMFYSA-N 1 0 375.282 2.322 20 0 GEADRO C[C@](O)(C[NH2+]C[C@H]1CCCNC1=O)c1ccc(Br)cc1Cl ZINC000819040444 653741250 /nfs/dbraw/zinc/74/12/50/653741250.db2.gz YRICCYGTOQFIFF-BMIGLBTASA-N 1 0 375.694 2.426 20 0 GEADRO CN(C)C(=O)CCN1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819043137 653741305 /nfs/dbraw/zinc/74/13/05/653741305.db2.gz PUNJENJPQOHWER-KRWDZBQOSA-N 1 0 398.345 2.015 20 0 GEADRO Brc1nnc2ccc(NC3CC[NH+](Cc4ccncc4)CC3)nn12 ZINC000881822516 653741416 /nfs/dbraw/zinc/74/14/16/653741416.db2.gz NUBQJFQUPCEKRN-UHFFFAOYSA-N 1 0 388.273 2.358 20 0 GEADRO CN1CCN(C)[C@@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819050609 653741480 /nfs/dbraw/zinc/74/14/80/653741480.db2.gz UFJLGJSAOOVYLV-BBRMVZONSA-N 1 0 390.753 2.145 20 0 GEADRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCN1CC(F)(F)F ZINC000819055891 653741748 /nfs/dbraw/zinc/74/17/48/653741748.db2.gz SRONWCYEHOCNFO-VXGBXAGGSA-N 1 0 381.192 2.235 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]C[C@@H](O)c2cccc(F)c2)CC1)C(F)(F)F ZINC000819055080 653741836 /nfs/dbraw/zinc/74/18/36/653741836.db2.gz OFZWZBIRIMYGMA-CQSZACIVSA-N 1 0 384.395 2.010 20 0 GEADRO CC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)[NH+](C)C ZINC000787673112 653741934 /nfs/dbraw/zinc/74/19/34/653741934.db2.gz VANRAZHFYLZBTR-HNNXBMFYSA-N 1 0 383.334 2.480 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000864609351 653742154 /nfs/dbraw/zinc/74/21/54/653742154.db2.gz SNQRUKDQTZYDFB-FGTMMUONSA-N 1 0 392.341 2.041 20 0 GEADRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000819062017 653742202 /nfs/dbraw/zinc/74/22/02/653742202.db2.gz ZSNIKQMOCGJAPR-HNNXBMFYSA-N 1 0 380.432 2.022 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000864610356 653742214 /nfs/dbraw/zinc/74/22/14/653742214.db2.gz NQOFAYKSAFNJRZ-INIZCTEOSA-N 1 0 382.302 2.227 20 0 GEADRO CO[C@@H](C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)CC(C)C ZINC000841888683 653742417 /nfs/dbraw/zinc/74/24/17/653742417.db2.gz NEBPUQACVPKOAF-ZIAGYGMSSA-N 1 0 377.938 2.355 20 0 GEADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000881844034 653742632 /nfs/dbraw/zinc/74/26/32/653742632.db2.gz QHEZXLUIMDJQKN-OAHLLOKOSA-N 1 0 399.384 2.334 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NCC2(C)CC[NH2+]CC2)c(Br)c1 ZINC000841969554 653742894 /nfs/dbraw/zinc/74/28/94/653742894.db2.gz KBQWOYXRUDQXRX-UHFFFAOYSA-N 1 0 398.301 2.425 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(Br)c1 ZINC000841987049 653743145 /nfs/dbraw/zinc/74/31/45/653743145.db2.gz PTTHHFNYZYQPNT-GXFFZTMASA-N 1 0 384.274 2.175 20 0 GEADRO COC[C@@]1(CNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000841997260 653743231 /nfs/dbraw/zinc/74/32/31/653743231.db2.gz NHNZXMVQPSXOTL-ZBFHGGJFSA-N 1 0 376.284 2.095 20 0 GEADRO Cn1cc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)C2)cn1 ZINC000819104285 653743387 /nfs/dbraw/zinc/74/33/87/653743387.db2.gz JGRBRRPJNRARFJ-RDJZCZTQSA-N 1 0 379.302 2.475 20 0 GEADRO COc1ccc([C@H](O)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000787759136 653743501 /nfs/dbraw/zinc/74/35/01/653743501.db2.gz NMTJQFKEKXIRHO-MLGOLLRUSA-N 1 0 381.270 2.331 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000787768201 653743677 /nfs/dbraw/zinc/74/36/77/653743677.db2.gz ZUDTUWQGCZSPST-UHFFFAOYSA-N 1 0 389.949 2.394 20 0 GEADRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1=O ZINC000819120870 653744007 /nfs/dbraw/zinc/74/40/07/653744007.db2.gz CQKHQUAVKJHRBE-CBDIBXMSSA-N 1 0 385.277 2.395 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1=O ZINC000819129190 653744260 /nfs/dbraw/zinc/74/42/60/653744260.db2.gz CVXOBKUZYYVYII-NCHVAJSOSA-N 1 0 386.279 2.337 20 0 GEADRO O=S(=O)(C1CC1)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819147977 653744422 /nfs/dbraw/zinc/74/44/22/653744422.db2.gz NJJFGJIHLKURBS-INIZCTEOSA-N 1 0 376.881 2.059 20 0 GEADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000819146209 653744428 /nfs/dbraw/zinc/74/44/28/653744428.db2.gz NEQPPUCFRGSTKY-IUODEOHRSA-N 1 0 380.432 2.055 20 0 GEADRO O=S(=O)(N1CCC([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000819145333 653744441 /nfs/dbraw/zinc/74/44/41/653744441.db2.gz DELKUFAQGVNOPQ-CYBMUJFWSA-N 1 0 386.823 2.277 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)CC1CC1 ZINC000819173916 653745160 /nfs/dbraw/zinc/74/51/60/653745160.db2.gz PTLLARMRYWMYEK-CQSZACIVSA-N 1 0 380.279 2.036 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)s1 ZINC000819180055 653745546 /nfs/dbraw/zinc/74/55/46/653745546.db2.gz LWKFMVHGOVNNOG-AWEZNQCLSA-N 1 0 392.905 2.451 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1cccs1 ZINC000819183257 653745620 /nfs/dbraw/zinc/74/56/20/653745620.db2.gz NCVFRRVSMLWQTG-CYBMUJFWSA-N 1 0 378.878 2.142 20 0 GEADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000819199821 653746026 /nfs/dbraw/zinc/74/60/26/653746026.db2.gz ZGQHTGNTSYAWCN-BGTYHANMSA-N 1 0 382.551 2.354 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H]1COC2(CCOCC2)O1)COc1ccc(Cl)cc1Cl ZINC000819215494 653746342 /nfs/dbraw/zinc/74/63/42/653746342.db2.gz IDKKDGHGYSAMFS-UONOGXRCSA-N 1 0 392.279 2.245 20 0 GEADRO C[C@H](CNC(=O)c1cc(I)nn1C)[N@@H+]1CCCC[C@H]1C ZINC000864871619 653747338 /nfs/dbraw/zinc/74/73/38/653747338.db2.gz ILRNPSLFIXVGHR-GHMZBOCLSA-N 1 0 390.269 2.017 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842203144 653747462 /nfs/dbraw/zinc/74/74/62/653747462.db2.gz PGVJXXMJQWYUDP-UHFFFAOYSA-N 1 0 380.798 2.396 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842202624 653747514 /nfs/dbraw/zinc/74/75/14/653747514.db2.gz KAXPZXJIAZFMEK-JTQLQIEISA-N 1 0 378.782 2.293 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000864886088 653747805 /nfs/dbraw/zinc/74/78/05/653747805.db2.gz HZBNKCFASKVMOH-UHFFFAOYSA-N 1 0 384.318 2.239 20 0 GEADRO Cc1ccc([C@H](O)C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000819285753 653747912 /nfs/dbraw/zinc/74/79/12/653747912.db2.gz BSSAJEMUSVMMHB-MRXNPFEDSA-N 1 0 386.876 2.389 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842206210 653748097 /nfs/dbraw/zinc/74/80/97/653748097.db2.gz URKCWWJZYRRLMV-VIFPVBQESA-N 1 0 378.782 2.293 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000819287563 653748138 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C[C@]1(CC[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1(Cl)Cl ZINC000819348025 653749546 /nfs/dbraw/zinc/74/95/46/653749546.db2.gz FLWYIEWDGSLTSS-CJNGLKHVSA-N 1 0 386.279 2.428 20 0 GEADRO CSc1ccc([C@@H](CNC(=O)c2c(Br)nnn2C)[NH+](C)C)cc1 ZINC000819342742 653749573 /nfs/dbraw/zinc/74/95/73/653749573.db2.gz SUVQHJNNSRMEIZ-GFCCVEGCSA-N 1 0 398.330 2.332 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)c2cccc(Br)c2)CCC1 ZINC000819377785 653750014 /nfs/dbraw/zinc/75/00/14/653750014.db2.gz VTKYRSAAIOOCBM-AWEZNQCLSA-N 1 0 376.316 2.287 20 0 GEADRO O=C(Nc1nc(CN2CCCCC2)cs1)[C@H]1OCCO[C@H]1C(F)(F)F ZINC000864977708 653750232 /nfs/dbraw/zinc/75/02/32/653750232.db2.gz WHYDXGDMQIQJTD-NWDGAFQWSA-N 1 0 379.404 2.414 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000842278184 653750423 /nfs/dbraw/zinc/75/04/23/653750423.db2.gz WPPXAMMAJPXYFD-AWEZNQCLSA-N 1 0 386.949 2.205 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000881942706 653752130 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CC[N@H+](CCNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1)C1CC1 ZINC000865151606 653755323 /nfs/dbraw/zinc/75/53/23/653755323.db2.gz RGMDGPRYLFFSOL-MRXNPFEDSA-N 1 0 382.302 2.227 20 0 GEADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000788435286 653756192 /nfs/dbraw/zinc/75/61/92/653756192.db2.gz XHUKZCAWQYOTDV-LLVKDONJSA-N 1 0 395.282 2.292 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NCCC[NH2+]C2CC2)ccc1Br ZINC000842481442 653757999 /nfs/dbraw/zinc/75/79/99/653757999.db2.gz JOVKVKLTJGQPGX-UHFFFAOYSA-N 1 0 375.288 2.072 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000842483814 653758342 /nfs/dbraw/zinc/75/83/42/653758342.db2.gz QWVPFDVTMASNQD-JTQLQIEISA-N 1 0 379.816 2.158 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000842484917 653758508 /nfs/dbraw/zinc/75/85/08/653758508.db2.gz CKURBJXSMIHHAR-VHSXEESVSA-N 1 0 395.294 2.202 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1Br ZINC000842485699 653758654 /nfs/dbraw/zinc/75/86/54/653758654.db2.gz QHPFZPBMTCPXJB-HNNXBMFYSA-N 1 0 389.315 2.364 20 0 GEADRO O=C(CCCOc1cccc(Br)c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000819837526 653758720 /nfs/dbraw/zinc/75/87/20/653758720.db2.gz NJHONTPKXHHOEA-HNNXBMFYSA-N 1 0 385.302 2.181 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000788536481 653759055 /nfs/dbraw/zinc/75/90/55/653759055.db2.gz MLRMZQJTHSWUJW-UHFFFAOYSA-N 1 0 389.949 2.442 20 0 GEADRO O=C([C@@H]1CSCCS1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000842514459 653759100 /nfs/dbraw/zinc/75/91/00/653759100.db2.gz MJNMEBCVDSTKBT-KRWDZBQOSA-N 1 0 380.583 2.431 20 0 GEADRO C[NH2+]C[C@@H](C)c1noc(CCNS(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000842577240 653759635 /nfs/dbraw/zinc/75/96/35/653759635.db2.gz NHSQQZQFLJUFAE-SECBINFHSA-N 1 0 393.296 2.220 20 0 GEADRO COCC(C)(C)[NH+]1CCN(Cn2c3ccc(Br)cc3oc2=O)CC1 ZINC000819894254 653760593 /nfs/dbraw/zinc/76/05/93/653760593.db2.gz RZDQWKRUFURQMR-UHFFFAOYSA-N 1 0 398.301 2.357 20 0 GEADRO COCC(C)(C)[NH+]1CCN(CN2Cc3c(cccc3Br)C2=O)CC1 ZINC000819895267 653760777 /nfs/dbraw/zinc/76/07/77/653760777.db2.gz KLOBIMNHXWFDDU-UHFFFAOYSA-N 1 0 396.329 2.405 20 0 GEADRO Cn1c(SCC(=O)NC2CC[NH+](C)CC2)nnc1-c1ccc(Cl)cc1 ZINC000865334921 653760964 /nfs/dbraw/zinc/76/09/64/653760964.db2.gz SXXPNBYHACIPDM-UHFFFAOYSA-N 1 0 379.917 2.438 20 0 GEADRO C[NH+]1CCC(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000865339658 653761476 /nfs/dbraw/zinc/76/14/76/653761476.db2.gz JWHLEVSJSXWNDJ-UHFFFAOYSA-N 1 0 384.303 2.023 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc(Br)cnc1Cl)[C@H]1CCC[NH2+]C1 ZINC000842698273 653763443 /nfs/dbraw/zinc/76/34/43/653763443.db2.gz CITZTXPLNIAGMW-IUCAKERBSA-N 1 0 382.711 2.164 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cnc1Cl ZINC000842702438 653763779 /nfs/dbraw/zinc/76/37/79/653763779.db2.gz HXDDNKPHKWPOCW-CABZTGNLSA-N 1 0 396.738 2.305 20 0 GEADRO COc1ccc(C[C@](C)([NH3+])CNc2ccc3nnc(Br)n3n2)cc1 ZINC000882126214 653763835 /nfs/dbraw/zinc/76/38/35/653763835.db2.gz WOSKWHKEYXXXJA-INIZCTEOSA-N 1 0 391.273 2.267 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1Br ZINC000842719719 653764540 /nfs/dbraw/zinc/76/45/40/653764540.db2.gz JQLRLEFCRLACTI-OTYXRUKQSA-N 1 0 375.288 2.010 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000842722920 653764789 /nfs/dbraw/zinc/76/47/89/653764789.db2.gz VRRQAOOMPXWZDY-SKDRFNHKSA-N 1 0 395.294 2.345 20 0 GEADRO COCC1(CC[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000842728306 653765058 /nfs/dbraw/zinc/76/50/58/653765058.db2.gz DYJNEFRRCQIFJO-ZDUSSCGKSA-N 1 0 375.922 2.111 20 0 GEADRO OCc1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc1Br ZINC000865436964 653765373 /nfs/dbraw/zinc/76/53/73/653765373.db2.gz VKOARBHFHWYFNG-MRXNPFEDSA-N 1 0 392.297 2.168 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000842742017 653765586 /nfs/dbraw/zinc/76/55/86/653765586.db2.gz OXTVQAKQNPIYND-UHFFFAOYSA-N 1 0 388.306 2.411 20 0 GEADRO COc1cncc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1C ZINC000865460140 653766022 /nfs/dbraw/zinc/76/60/22/653766022.db2.gz GMLOPKQVFPGFIR-UHFFFAOYSA-N 1 0 381.420 2.050 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)CC(F)F ZINC000865473271 653766399 /nfs/dbraw/zinc/76/63/99/653766399.db2.gz LYJKIJSMNQBOOM-RWMBFGLXSA-N 1 0 384.489 2.480 20 0 GEADRO Cn1nc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1Br ZINC000820099735 653766511 /nfs/dbraw/zinc/76/65/11/653766511.db2.gz FYTKUHVBMVLIGT-VIKVFOODSA-N 1 0 375.270 2.043 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1Br ZINC000842788434 653767416 /nfs/dbraw/zinc/76/74/16/653767416.db2.gz HVSOXSSBAMQWJG-ONGXEEELSA-N 1 0 375.288 2.010 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000842791699 653767573 /nfs/dbraw/zinc/76/75/73/653767573.db2.gz ZFVXZTQYSRDYCX-KOLCDFICSA-N 1 0 375.288 2.010 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CC[C@@H]1[NH3+] ZINC000842793979 653767706 /nfs/dbraw/zinc/76/77/06/653767706.db2.gz VCYUXTAGDFPHJP-WPRPVWTQSA-N 1 0 382.711 2.245 20 0 GEADRO CCn1ncc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1Br ZINC000820245550 653769728 /nfs/dbraw/zinc/76/97/28/653769728.db2.gz UJFPBDBMQPWIQP-UHFFFAOYSA-N 1 0 391.313 2.495 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000842851560 653770392 /nfs/dbraw/zinc/77/03/92/653770392.db2.gz PTXVURMAIKLPRA-QWRGUYRKSA-N 1 0 387.864 2.217 20 0 GEADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842876609 653771548 /nfs/dbraw/zinc/77/15/48/653771548.db2.gz VAVKGEXASBRBTQ-NWDGAFQWSA-N 1 0 388.946 2.450 20 0 GEADRO CNS(=O)(=O)CCC[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000865707646 653772436 /nfs/dbraw/zinc/77/24/36/653772436.db2.gz VCHRVDGALVDIHM-UHFFFAOYSA-N 1 0 388.896 2.061 20 0 GEADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842894805 653772533 /nfs/dbraw/zinc/77/25/33/653772533.db2.gz SHAZGEVCZUPGCO-MRVPVSSYSA-N 1 0 375.260 2.095 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000865720693 653772869 /nfs/dbraw/zinc/77/28/69/653772869.db2.gz GYPJYJGBBCDRPK-UHFFFAOYSA-N 1 0 382.331 2.421 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H]2CCCS2)cc1Br ZINC000865725978 653773030 /nfs/dbraw/zinc/77/30/30/653773030.db2.gz RUHUMHYYFGTAPJ-LLVKDONJSA-N 1 0 379.345 2.472 20 0 GEADRO COc1nc(Br)ccc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000789378446 653773124 /nfs/dbraw/zinc/77/31/24/653773124.db2.gz FILZZWCMAOQTPB-UHFFFAOYSA-N 1 0 383.250 2.255 20 0 GEADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000842917626 653773645 /nfs/dbraw/zinc/77/36/45/653773645.db2.gz QUWRIGPMYAEZBT-GFCCVEGCSA-N 1 0 382.898 2.296 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000865789103 653774983 /nfs/dbraw/zinc/77/49/83/653774983.db2.gz PNTXCDUJICTBLE-ZDUSSCGKSA-N 1 0 398.301 2.231 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000865790156 653775003 /nfs/dbraw/zinc/77/50/03/653775003.db2.gz LIVFSFBLOPUSDY-MLGOLLRUSA-N 1 0 384.318 2.473 20 0 GEADRO COC[C@H](CN1CCO[C@@H](C)C1)OC(=O)CSc1ccc(F)c(F)c1 ZINC000842967391 653775559 /nfs/dbraw/zinc/77/55/59/653775559.db2.gz SYBLKAOQQOSWII-STQMWFEESA-N 1 0 375.437 2.336 20 0 GEADRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CS(N)(=O)=O ZINC000865813263 653775880 /nfs/dbraw/zinc/77/58/80/653775880.db2.gz LZEOVRONWXHMDT-HNNXBMFYSA-N 1 0 390.933 2.302 20 0 GEADRO CC(C)(C[NH2+]Cc1ccnc2c(Br)cccc12)CS(N)(=O)=O ZINC000865813804 653775910 /nfs/dbraw/zinc/77/59/10/653775910.db2.gz HUHFYVSCSNCIMJ-UHFFFAOYSA-N 1 0 386.315 2.402 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CC[NH+](C)CC1 ZINC000865817086 653776105 /nfs/dbraw/zinc/77/61/05/653776105.db2.gz XZLIKORKKBUEGZ-GQAVTEOGSA-N 1 0 392.341 2.087 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cncc(Br)c2C)cc1 ZINC000865818925 653776240 /nfs/dbraw/zinc/77/62/40/653776240.db2.gz YTEAFNYCDVUMHP-UHFFFAOYSA-N 1 0 398.326 2.393 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[C@@H]2CC2(Cl)Cl)CC1=O ZINC000820577571 653777045 /nfs/dbraw/zinc/77/70/45/653777045.db2.gz HEXVJYIURUUWRL-BFHYXJOUSA-N 1 0 377.312 2.446 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3nc(C4CC4)ncc3Br)[C@H]2C1 ZINC000820587697 653777321 /nfs/dbraw/zinc/77/73/21/653777321.db2.gz HSRZIQARWARLGN-UONOGXRCSA-N 1 0 395.301 2.052 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1I ZINC000865857315 653777456 /nfs/dbraw/zinc/77/74/56/653777456.db2.gz PJOWKAIBUUSFCM-LLVKDONJSA-N 1 0 390.269 2.092 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)cn4ncnc34)C2)C1 ZINC000820608159 653777635 /nfs/dbraw/zinc/77/76/35/653777635.db2.gz FMSSKEDPHTXEOJ-INIZCTEOSA-N 1 0 378.274 2.050 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000843049844 653777988 /nfs/dbraw/zinc/77/79/88/653777988.db2.gz VFXIOEWNMGVIGX-RNFRBKRXSA-N 1 0 397.195 2.043 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000843049655 653777998 /nfs/dbraw/zinc/77/79/98/653777998.db2.gz QDRLUXRHTDRUHS-NXEZZACHSA-N 1 0 379.258 2.178 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000843096353 653779374 /nfs/dbraw/zinc/77/93/74/653779374.db2.gz YYRAZGFZIDBBSP-PBHICJAKSA-N 1 0 376.856 2.378 20 0 GEADRO O=C(NCCCCC[NH+]1CCCC1)c1cc(Br)cn2ncnc12 ZINC000820637886 653779404 /nfs/dbraw/zinc/77/94/04/653779404.db2.gz ORJHWZGQYXPHQV-UHFFFAOYSA-N 1 0 380.290 2.488 20 0 GEADRO CN(C[C@@H](O)C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000843113002 653779849 /nfs/dbraw/zinc/77/98/49/653779849.db2.gz ZMNAEILJAVXVKS-LSDHHAIUSA-N 1 0 376.856 2.330 20 0 GEADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@@H]1O)COc1ccc(Br)cc1 ZINC000843117838 653780019 /nfs/dbraw/zinc/78/00/19/653780019.db2.gz UNLVFGQMIPNYHF-QBIMZIAESA-N 1 0 394.265 2.273 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1sccc1C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000820673442 653780076 /nfs/dbraw/zinc/78/00/76/653780076.db2.gz ADWDRCOIEVDIFD-LLVKDONJSA-N 1 0 380.482 2.267 20 0 GEADRO CCn1ncc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000820674101 653780080 /nfs/dbraw/zinc/78/00/80/653780080.db2.gz PXGLCBVDMNDWLX-CHWSQXEVSA-N 1 0 387.322 2.285 20 0 GEADRO CN(C)S(=O)(=O)c1cc(-c2nc(CC3CC[NH2+]CC3)no2)ccc1Cl ZINC000843133296 653780224 /nfs/dbraw/zinc/78/02/24/653780224.db2.gz BIUZLJSJJDOHFJ-UHFFFAOYSA-N 1 0 384.889 2.182 20 0 GEADRO CC(C)(C[NH3+])c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000843201458 653781199 /nfs/dbraw/zinc/78/11/99/653781199.db2.gz VSWOFTLUHCXHCQ-UHFFFAOYSA-N 1 0 378.230 2.308 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(F)c(Br)cc1F ZINC000865952413 653781273 /nfs/dbraw/zinc/78/12/73/653781273.db2.gz SPZXGOSMOLPOIY-UHFFFAOYSA-N 1 0 377.229 2.304 20 0 GEADRO Brc1cc(Cc2noc(C[C@@H]3CCC[NH2+]3)n2)cc2c1OCCO2 ZINC000843203620 653781405 /nfs/dbraw/zinc/78/14/05/653781405.db2.gz UXENJXKMQRGLEI-NSHDSACASA-N 1 0 380.242 2.489 20 0 GEADRO F[C@]1(c2nc(-c3cccn4c(I)cnc34)no2)CC[NH2+]C1 ZINC000843223326 653781759 /nfs/dbraw/zinc/78/17/59/653781759.db2.gz AXPLTAZYTSJTGD-CYBMUJFWSA-N 1 0 399.167 2.147 20 0 GEADRO F[C@]1(c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)CC[NH2+]C1 ZINC000843228671 653782166 /nfs/dbraw/zinc/78/21/66/653782166.db2.gz LDSLMQIYLUXAAK-CQSZACIVSA-N 1 0 379.193 2.442 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882472293 653783618 /nfs/dbraw/zinc/78/36/18/653783618.db2.gz DESGSYSLYPNXQT-VIFPVBQESA-N 1 0 383.212 2.099 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl ZINC000882476505 653783860 /nfs/dbraw/zinc/78/38/60/653783860.db2.gz ATRLMBQLWRFPPZ-XJKSGUPXSA-N 1 0 383.945 2.402 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000882483871 653784507 /nfs/dbraw/zinc/78/45/07/653784507.db2.gz MMLBCPUSEOAYBF-STQMWFEESA-N 1 0 380.286 2.012 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(Br)cc1Br ZINC000882490479 653784525 /nfs/dbraw/zinc/78/45/25/653784525.db2.gz PVBMSLBDGPWAPO-VIFPVBQESA-N 1 0 377.080 2.431 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000882485471 653784642 /nfs/dbraw/zinc/78/46/42/653784642.db2.gz IXAFXFICDDQBGJ-HOTGVXAUSA-N 1 0 394.313 2.264 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000843356902 653785592 /nfs/dbraw/zinc/78/55/92/653785592.db2.gz GXWVIDYPJODZOK-IINYFYTJSA-N 1 0 395.253 2.052 20 0 GEADRO C[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000843392796 653785974 /nfs/dbraw/zinc/78/59/74/653785974.db2.gz MSXLEJYDRNSCOQ-RYUDHWBXSA-N 1 0 399.285 2.166 20 0 GEADRO Cc1oc(Br)cc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000820960935 653787431 /nfs/dbraw/zinc/78/74/31/653787431.db2.gz AZPOUKHMIYFDLW-UHFFFAOYSA-N 1 0 385.258 2.250 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000843480360 653787894 /nfs/dbraw/zinc/78/78/94/653787894.db2.gz WKKLMERZZDMPFM-UEKVPHQBSA-N 1 0 379.917 2.390 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Nc1cc(Br)ccn1 ZINC000866167150 653787957 /nfs/dbraw/zinc/78/79/57/653787957.db2.gz BDHHASONEYZZEN-UHFFFAOYSA-N 1 0 383.290 2.420 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843486301 653788091 /nfs/dbraw/zinc/78/80/91/653788091.db2.gz FOKPLQSOCAOIRN-ZDUSSCGKSA-N 1 0 387.274 2.181 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000843504473 653788676 /nfs/dbraw/zinc/78/86/76/653788676.db2.gz AKHQTJMYUPRDGA-GHMZBOCLSA-N 1 0 375.922 2.272 20 0 GEADRO [NH3+]CCCCCCNC(=O)COc1ccc(I)cc1 ZINC000843505938 653788692 /nfs/dbraw/zinc/78/86/92/653788692.db2.gz GLODZUOEAOJLEO-UHFFFAOYSA-N 1 0 376.238 2.305 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000843504476 653788696 /nfs/dbraw/zinc/78/86/96/653788696.db2.gz AKHQTJMYUPRDGA-WDEREUQCSA-N 1 0 375.922 2.272 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCCCCC[NH3+])s2)CC1 ZINC000843512144 653788883 /nfs/dbraw/zinc/78/88/83/653788883.db2.gz QEXGVMPUAXYHNF-UHFFFAOYSA-N 1 0 387.571 2.418 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2cc(Br)ccc2C1 ZINC000790290472 653788974 /nfs/dbraw/zinc/78/89/74/653788974.db2.gz MDQIJPGKHBSDSL-IRXDYDNUSA-N 1 0 394.313 2.380 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1csc(Br)n1 ZINC000821042675 653789343 /nfs/dbraw/zinc/78/93/43/653789343.db2.gz JXARCTFCUCOOQC-OLZOCXBDSA-N 1 0 388.331 2.403 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)c1nnc2ccc(Br)cn21 ZINC000866258580 653789573 /nfs/dbraw/zinc/78/95/73/653789573.db2.gz VQSKMMJKAKKNJQ-UHFFFAOYSA-N 1 0 380.290 2.040 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000866351733 653791178 /nfs/dbraw/zinc/79/11/78/653791178.db2.gz CRTUBGSHRUJUGQ-UHFFFAOYSA-N 1 0 390.272 2.483 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)c2nc(Br)sc2Cl)CC1 ZINC000866351856 653791316 /nfs/dbraw/zinc/79/13/16/653791316.db2.gz FECBWOFOBCAZJF-UHFFFAOYSA-N 1 0 395.754 2.315 20 0 GEADRO COC(=O)c1c2cnn(CN3CC[NH+](C4CC4)CC3)c2ccc1Br ZINC000790438121 653791812 /nfs/dbraw/zinc/79/18/12/653791812.db2.gz GBZVZEUQXCNLCK-UHFFFAOYSA-N 1 0 393.285 2.323 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000790450705 653792322 /nfs/dbraw/zinc/79/23/22/653792322.db2.gz PNVKNRPSVDWKQQ-JTQLQIEISA-N 1 0 376.935 2.448 20 0 GEADRO C[C@@H](CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)n1cc(Br)cn1 ZINC000843797433 653794514 /nfs/dbraw/zinc/79/45/14/653794514.db2.gz VGGNLKKZRYGIFC-BBRMVZONSA-N 1 0 399.333 2.356 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)Cc2c(Br)cccc2OC)CC1 ZINC000866479242 653797837 /nfs/dbraw/zinc/79/78/37/653797837.db2.gz SAQOIMTZBDLVKT-UHFFFAOYSA-N 1 0 391.331 2.361 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000866484673 653798156 /nfs/dbraw/zinc/79/81/56/653798156.db2.gz ZUWFHYSTCDXPRG-UHFFFAOYSA-N 1 0 391.331 2.314 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F ZINC000844060178 653800440 /nfs/dbraw/zinc/80/04/40/653800440.db2.gz CATUXXHFVSJLJX-LBPRGKRZSA-N 1 0 377.432 2.483 20 0 GEADRO C[S@@](=O)(=NS(=O)(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000866533550 653800949 /nfs/dbraw/zinc/80/09/49/653800949.db2.gz RWKKGRDLXPITEH-DEOSSOPVSA-N 1 0 385.555 2.338 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccnc1Br ZINC000790973916 653802151 /nfs/dbraw/zinc/80/21/51/653802151.db2.gz HZQUBBZQLVRPPC-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000866569839 653802669 /nfs/dbraw/zinc/80/26/69/653802669.db2.gz FIHZHMDNRVYQAC-JTQLQIEISA-N 1 0 381.311 2.424 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)cc1Br ZINC000866573775 653802877 /nfs/dbraw/zinc/80/28/77/653802877.db2.gz NLIPLWVSDGMMNQ-SNVBAGLBSA-N 1 0 379.320 2.423 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1c(Cl)ccnc1Cl ZINC000844227097 653803477 /nfs/dbraw/zinc/80/34/77/653803477.db2.gz VILOSVMOYCFMKP-UHFFFAOYSA-N 1 0 375.281 2.242 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2nc[nH]c2Br)c1 ZINC000866580416 653803500 /nfs/dbraw/zinc/80/35/00/653803500.db2.gz HTBDIWFPWLJHOU-UHFFFAOYSA-N 1 0 387.303 2.102 20 0 GEADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C1 ZINC000844306870 653804628 /nfs/dbraw/zinc/80/46/28/653804628.db2.gz LTXSXXXILSSCBZ-OAHLLOKOSA-N 1 0 377.551 2.085 20 0 GEADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3c(I)cnn3C)C[C@H]2C1 ZINC000866631262 653807188 /nfs/dbraw/zinc/80/71/88/653807188.db2.gz JZGIZJAHLLPLNJ-BKUVIOGVSA-N 1 0 375.254 2.318 20 0 GEADRO O=C1O[C@@H](C[N@@H+](CCO)Cc2cc(Br)cs2)CN1C1CC1 ZINC000844319227 653804913 /nfs/dbraw/zinc/80/49/13/653804913.db2.gz AYRYAVVGGDATJF-LBPRGKRZSA-N 1 0 375.288 2.288 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000866612661 653806043 /nfs/dbraw/zinc/80/60/43/653806043.db2.gz AZKMHQHJISJVHK-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000866608546 653806077 /nfs/dbraw/zinc/80/60/77/653806077.db2.gz CHMJDRDNIYAQEH-OWCLPIDISA-N 1 0 385.327 2.101 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000866656272 653808872 /nfs/dbraw/zinc/80/88/72/653808872.db2.gz YLSBHSMUWONAAR-ZDUSSCGKSA-N 1 0 398.301 2.185 20 0 GEADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2ccnc(Cl)c2c1 ZINC000866674605 653809924 /nfs/dbraw/zinc/80/99/24/653809924.db2.gz BCXDCLCZPBEBFC-KGLIPLIRSA-N 1 0 381.885 2.030 20 0 GEADRO Cn1nc(Br)nc1C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000895046926 653814327 /nfs/dbraw/zinc/81/43/27/653814327.db2.gz YWCDCZPBVAXPMD-NXEZZACHSA-N 1 0 388.310 2.359 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2c(Br)cccc2OC)C1 ZINC000866733971 653816636 /nfs/dbraw/zinc/81/66/36/653816636.db2.gz GNHNBCNEFKLTSM-GFCCVEGCSA-N 1 0 391.331 2.219 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1(Cl)Cl ZINC000866771917 653822982 /nfs/dbraw/zinc/82/29/82/653822982.db2.gz LSBWJWKXJAVBFU-BFHYXJOUSA-N 1 0 385.357 2.118 20 0 GEADRO C[C@@]1(CS(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1(Cl)Cl ZINC000866772061 653823015 /nfs/dbraw/zinc/82/30/15/653823015.db2.gz NSGFAXHWYXSNJU-MJBXVCDLSA-N 1 0 381.300 2.466 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000866772920 653823359 /nfs/dbraw/zinc/82/33/59/653823359.db2.gz JRRBGCIHSCXJLR-UHFFFAOYSA-N 1 0 389.315 2.115 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC1 ZINC000866775162 653823603 /nfs/dbraw/zinc/82/36/03/653823603.db2.gz WJNLUHABSPRGDR-UHFFFAOYSA-N 1 0 383.901 2.277 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000883059014 653824213 /nfs/dbraw/zinc/82/42/13/653824213.db2.gz JMIDSFDNKYYOCW-ZDUSSCGKSA-N 1 0 383.290 2.089 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)c(C)c1Cl ZINC000866783659 653825323 /nfs/dbraw/zinc/82/53/23/653825323.db2.gz QLEXAQVMPVUFKN-JTQLQIEISA-N 1 0 380.919 2.389 20 0 GEADRO CC1(C)CC[C@@H](CNS(=O)(=O)Cc2ncsc2Br)[NH2+]C1 ZINC000866786504 653826017 /nfs/dbraw/zinc/82/60/17/653826017.db2.gz AMXPQGLNJVMMPO-VIFPVBQESA-N 1 0 382.349 2.103 20 0 GEADRO C[C@@]1(CS(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1(Cl)Cl ZINC000866792065 653826984 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20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1cc(Cl)cc(Br)c1 ZINC000895360588 653829890 /nfs/dbraw/zinc/82/98/90/653829890.db2.gz JZLRRMGFYXYPNM-UHFFFAOYSA-N 1 0 390.709 2.358 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000866813213 653831284 /nfs/dbraw/zinc/83/12/84/653831284.db2.gz VYUZNZLUXXGGJR-NSHDSACASA-N 1 0 391.331 2.265 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866813222 653831345 /nfs/dbraw/zinc/83/13/45/653831345.db2.gz WJIIBWXDUFNLPV-SNVBAGLBSA-N 1 0 377.304 2.124 20 0 GEADRO C[C@H](NS(=O)(=O)Cc1cc(F)ccc1Br)C1CC[NH2+]CC1 ZINC000866812681 653831347 /nfs/dbraw/zinc/83/13/47/653831347.db2.gz OOEWVMYKJZRFIA-JTQLQIEISA-N 1 0 379.295 2.396 20 0 GEADRO COC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000883174420 653831317 /nfs/dbraw/zinc/83/13/17/653831317.db2.gz KJZOZYQOIUMYFO-GDBMZVCRSA-N 1 0 385.302 2.210 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000866815182 653831617 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O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000883299797 653834543 /nfs/dbraw/zinc/83/45/43/653834543.db2.gz GEYVIWZFWZGXSJ-LBPRGKRZSA-N 1 0 390.299 2.277 20 0 GEADRO CCOC(=O)C1CCC([NH2+]Cc2cn(C)nc2I)CC1 ZINC000895454294 653835245 /nfs/dbraw/zinc/83/52/45/653835245.db2.gz ISYLSNIXKNVSBX-UHFFFAOYSA-N 1 0 391.253 2.236 20 0 GEADRO CN(C(=O)c1nc(Br)ccc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000792164162 653836582 /nfs/dbraw/zinc/83/65/82/653836582.db2.gz HOEZLDMWTCZSOZ-ZDUSSCGKSA-N 1 0 399.308 2.224 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000883359183 653837016 /nfs/dbraw/zinc/83/70/16/653837016.db2.gz ZSBHAZLEJYAUJK-SKDRFNHKSA-N 1 0 390.374 2.146 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)C[NH+]1CCCC1 ZINC000822719368 653837826 /nfs/dbraw/zinc/83/78/26/653837826.db2.gz QNHNHEJFYCOMDW-UHFFFAOYSA-N 1 0 388.331 2.071 20 0 GEADRO COCCN1CC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000883377691 653837923 /nfs/dbraw/zinc/83/79/23/653837923.db2.gz NRDUJIKHLRNNPX-ZBFHGGJFSA-N 1 0 382.302 2.013 20 0 GEADRO C[C@H]1CN(C(=O)c2nc(Br)ccc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000792292286 653839379 /nfs/dbraw/zinc/83/93/79/653839379.db2.gz YXWABZAKKDSAFF-GXTWGEPZSA-N 1 0 399.308 2.081 20 0 GEADRO [NH3+]CCN(Cc1nc(-c2cccc(Cl)c2Cl)cs1)C[C@@H](O)CO ZINC000883434789 653839906 /nfs/dbraw/zinc/83/99/06/653839906.db2.gz AXLSTDREHXANLB-SNVBAGLBSA-N 1 0 376.309 2.231 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000883428255 653839909 /nfs/dbraw/zinc/83/99/09/653839909.db2.gz PUAQIMQHIXTVQV-GFCCVEGCSA-N 1 0 385.251 2.380 20 0 GEADRO CC1(C)CC(NC(=O)c2c[nH]nc2I)CC(C)(C)[NH2+]1 ZINC000895541691 653840040 /nfs/dbraw/zinc/84/00/40/653840040.db2.gz PZJVNPGMSDVTFH-UHFFFAOYSA-N 1 0 376.242 2.053 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cccc(O)c2Br)CC1 ZINC000895550488 653840579 /nfs/dbraw/zinc/84/05/79/653840579.db2.gz JNVQSUAGEYUPSB-UHFFFAOYSA-N 1 0 396.329 2.461 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000866871419 653840700 /nfs/dbraw/zinc/84/07/00/653840700.db2.gz MDQZLOAKANFUBG-NEPJUHHUSA-N 1 0 391.331 2.360 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000866871421 653840719 /nfs/dbraw/zinc/84/07/19/653840719.db2.gz MDQZLOAKANFUBG-RYUDHWBXSA-N 1 0 391.331 2.360 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000866871420 653840817 /nfs/dbraw/zinc/84/08/17/653840817.db2.gz MDQZLOAKANFUBG-NWDGAFQWSA-N 1 0 391.331 2.360 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000883470450 653841011 /nfs/dbraw/zinc/84/10/11/653841011.db2.gz WNKBSSMYJLSDLJ-UHFFFAOYSA-N 1 0 380.310 2.487 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1OC ZINC000883470932 653841015 /nfs/dbraw/zinc/84/10/15/653841015.db2.gz NGTCGJPWHUMWMH-UHFFFAOYSA-N 1 0 390.811 2.259 20 0 GEADRO NS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(C(F)(F)F)c1 ZINC000895571661 653841210 /nfs/dbraw/zinc/84/12/10/653841210.db2.gz KYIDPVPKJRKXNR-KGLIPLIRSA-N 1 0 395.472 2.345 20 0 GEADRO NS(=O)(=O)c1ccc2ccccc2c1N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895568793 653841307 /nfs/dbraw/zinc/84/13/07/653841307.db2.gz KFTNWKYSGMTEEF-HOTGVXAUSA-N 1 0 377.535 2.479 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(CC[NH3+])CC(F)(F)F ZINC000883472060 653841258 /nfs/dbraw/zinc/84/12/58/653841258.db2.gz LTJQFKHMMPEDAO-UHFFFAOYSA-N 1 0 396.412 2.200 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2c[nH]nc2I)CCCCCC1 ZINC000895569007 653841472 /nfs/dbraw/zinc/84/14/72/653841472.db2.gz QIIQEQAULZAAPJ-UHFFFAOYSA-N 1 0 390.269 2.399 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)C1 ZINC000895585703 653842207 /nfs/dbraw/zinc/84/22/07/653842207.db2.gz NKEUNXBVQLLTKX-SOUVJXGZSA-N 1 0 376.316 2.428 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000866882759 653842527 /nfs/dbraw/zinc/84/25/27/653842527.db2.gz XYFKMZHNWXEQCM-SHACYNPGSA-N 1 0 391.534 2.333 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000895601584 653843059 /nfs/dbraw/zinc/84/30/59/653843059.db2.gz NFSKUFBUFFKHDH-UHFFFAOYSA-N 1 0 376.299 2.361 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000883483412 653843026 /nfs/dbraw/zinc/84/30/26/653843026.db2.gz FWOVKECIDZOASN-UHFFFAOYSA-N 1 0 379.404 2.079 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883567002 653845718 /nfs/dbraw/zinc/84/57/18/653845718.db2.gz MVEQCPFFIHBNRZ-IKGGRYGDSA-N 1 0 385.599 2.309 20 0 GEADRO CC[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)[C@@H](O)c1c(F)cccc1F ZINC000866899947 653846365 /nfs/dbraw/zinc/84/63/65/653846365.db2.gz ZFEOEIWOPANZCR-NVXWUHKLSA-N 1 0 376.469 2.182 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000895697337 653846720 /nfs/dbraw/zinc/84/67/20/653846720.db2.gz OIQPRYYKDQKJNT-ZBEGNZNMSA-N 1 0 393.281 2.131 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000866904259 653846926 /nfs/dbraw/zinc/84/69/26/653846926.db2.gz IBJCWKLMCIANRJ-ZIAGYGMSSA-N 1 0 387.373 2.333 20 0 GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000883593903 653847070 /nfs/dbraw/zinc/84/70/70/653847070.db2.gz UILZYLOBVSEHDR-JQWIXIFHSA-N 1 0 395.257 2.138 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000883622310 653848102 /nfs/dbraw/zinc/84/81/02/653848102.db2.gz MDKHFOGQUOSXDB-UHFFFAOYSA-N 1 0 385.276 2.432 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000895730351 653848057 /nfs/dbraw/zinc/84/80/57/653848057.db2.gz QXFZOFQSQBKTRZ-UWVGGRQHSA-N 1 0 390.269 2.173 20 0 GEADRO COCCO[C@H]1C[C@H](CO)C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000822976722 653848195 /nfs/dbraw/zinc/84/81/95/653848195.db2.gz IVBGOSDXMXOIED-JDFRZJQESA-N 1 0 378.296 2.373 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000883627720 653848397 /nfs/dbraw/zinc/84/83/97/653848397.db2.gz MJNXAUUSCGLTRV-UHFFFAOYSA-N 1 0 384.274 2.126 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000883644916 653849180 /nfs/dbraw/zinc/84/91/80/653849180.db2.gz VNFUEDSYXOWRPA-LLVKDONJSA-N 1 0 388.331 2.070 20 0 GEADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000895768656 653849553 /nfs/dbraw/zinc/84/95/53/653849553.db2.gz JFZHIVQRPHDEMO-CJNGLKHVSA-N 1 0 379.298 2.191 20 0 GEADRO O=S(=O)(NC1CCC([NH+]2CCCCC2)CC1)c1nc[nH]c1Br ZINC000866931775 653851443 /nfs/dbraw/zinc/85/14/43/653851443.db2.gz JHEOCYCYGHJCMJ-UHFFFAOYSA-N 1 0 391.335 2.248 20 0 GEADRO O=C1OC[C@@]2(C[NH2+]Cc3cc(Cl)cc(Br)c3)COCCN12 ZINC000895825756 653851657 /nfs/dbraw/zinc/85/16/57/653851657.db2.gz LVWAOLBAPSLOCZ-CQSZACIVSA-N 1 0 375.650 2.413 20 0 GEADRO C[C@@H](NS(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C(C)(C)C[NH+](C)C ZINC000866941668 653852975 /nfs/dbraw/zinc/85/29/75/653852975.db2.gz KDPHNBQRCFWRBC-SFDCACGMSA-N 1 0 379.523 2.093 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)c3c(C)[nH]nc3Br)CC2)CC1 ZINC000823113716 653853840 /nfs/dbraw/zinc/85/38/40/653853840.db2.gz DYDNBUUUMKXOMK-UHFFFAOYSA-N 1 0 398.349 2.113 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000895877251 653854494 /nfs/dbraw/zinc/85/44/94/653854494.db2.gz AMKDVQZOZFBAEY-OIBJUYFYSA-N 1 0 384.059 2.288 20 0 GEADRO C[C@@]12CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1C2(Cl)Cl ZINC000792902164 653855260 /nfs/dbraw/zinc/85/52/60/653855260.db2.gz HESMRMIAOWIWQU-GZMMTYOYSA-N 1 0 376.206 2.280 20 0 GEADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NOCC(F)F ZINC000792919751 653855839 /nfs/dbraw/zinc/85/58/39/653855839.db2.gz MYZMDWANYSMRSR-UHFFFAOYSA-N 1 0 376.835 2.348 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Br)c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000883934113 653855996 /nfs/dbraw/zinc/85/59/96/653855996.db2.gz BKNFDUQNHIAWTC-CQSZACIVSA-N 1 0 390.709 2.011 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)nc1Br ZINC000792952986 653856944 /nfs/dbraw/zinc/85/69/44/653856944.db2.gz LYLHJVJYZCXUEG-CHWSQXEVSA-N 1 0 397.317 2.470 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cc3cc(Br)ccc3o2)C1 ZINC000883945546 653857265 /nfs/dbraw/zinc/85/72/65/653857265.db2.gz SBOXJJXLZRSOIR-INIZCTEOSA-N 1 0 382.258 2.061 20 0 GEADRO O=C(NCc1cc2cc(Br)ccc2o1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000883946386 653857481 /nfs/dbraw/zinc/85/74/81/653857481.db2.gz UKRNRFYOMXFUAL-UONOGXRCSA-N 1 0 394.269 2.156 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000845669396 653858042 /nfs/dbraw/zinc/85/80/42/653858042.db2.gz UKFLMOKQUGQPDP-CQSZACIVSA-N 1 0 393.359 2.156 20 0 GEADRO O=C(NCc1ncc(Br)cn1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000895964289 653858880 /nfs/dbraw/zinc/85/88/80/653858880.db2.gz LMSDPXSNGBUOAN-CQSZACIVSA-N 1 0 382.306 2.445 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000792980248 653858819 /nfs/dbraw/zinc/85/88/19/653858819.db2.gz MUMJJIDPZXSRRO-VXGBXAGGSA-N 1 0 383.290 2.162 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(C[C@H](O)c3ccc(Cl)cc3Cl)CC2)CCN1 ZINC000823225397 653858975 /nfs/dbraw/zinc/85/89/75/653858975.db2.gz OXRYZGCZBFEPRL-YOEHRIQHSA-N 1 0 386.323 2.313 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792988264 653859276 /nfs/dbraw/zinc/85/92/76/653859276.db2.gz UQTVKLQOWYTFJB-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000792989978 653859692 /nfs/dbraw/zinc/85/96/92/653859692.db2.gz PZACPBDVBYFVRJ-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CS(=O)(=O)C1(c2nc(COc3ccc(F)c(Cl)c3)no2)CC[NH2+]CC1 ZINC000823263150 653859902 /nfs/dbraw/zinc/85/99/02/653859902.db2.gz DIWFAPKDDKZFLN-UHFFFAOYSA-N 1 0 389.836 2.064 20 0 GEADRO [NH3+]CC1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 ZINC000884011627 653860285 /nfs/dbraw/zinc/86/02/85/653860285.db2.gz KRZMDTBFNCIZTG-UHFFFAOYSA-N 1 0 398.692 2.494 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884017231 653860367 /nfs/dbraw/zinc/86/03/67/653860367.db2.gz PPTDKSPDDUUILR-JTQLQIEISA-N 1 0 398.692 2.413 20 0 GEADRO C[C@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)[C@H]1CCC[NH2+]C1 ZINC000884019695 653860748 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20 0 GEADRO CC(C)(C)C(=O)N1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884070615 653862380 /nfs/dbraw/zinc/86/23/80/653862380.db2.gz RPFGQVVHTRSOEX-CQSZACIVSA-N 1 0 382.302 2.166 20 0 GEADRO O=C(NCc1ccccc1Br)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884068721 653862394 /nfs/dbraw/zinc/86/23/94/653862394.db2.gz CFKNEASGBNSYGB-UHFFFAOYSA-N 1 0 375.270 2.184 20 0 GEADRO O=C1NCCN1CC[NH2+]Cc1cc(Br)ccc1Br ZINC000896054496 653862489 /nfs/dbraw/zinc/86/24/89/653862489.db2.gz VKEIBXDILFRNAX-UHFFFAOYSA-N 1 0 377.080 2.326 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000884094895 653863087 /nfs/dbraw/zinc/86/30/87/653863087.db2.gz XPMRYEIYLQVYSN-ZFWWWQNUSA-N 1 0 386.926 2.369 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)nc1Br ZINC000793035216 653863530 /nfs/dbraw/zinc/86/35/30/653863530.db2.gz FLZDTRNLYQKFKM-UHFFFAOYSA-N 1 0 385.306 2.137 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000867005395 653864205 /nfs/dbraw/zinc/86/42/05/653864205.db2.gz ZBABEVHXRKLJGQ-RLJZQAMKSA-N 1 0 387.571 2.239 20 0 GEADRO CON(C)S(=O)(=O)c1cc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1Cl ZINC000845814927 653864565 /nfs/dbraw/zinc/86/45/65/653864565.db2.gz ULZBSHACKGKXFK-YPMHNXCESA-N 1 0 390.889 2.019 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884115881 653864546 /nfs/dbraw/zinc/86/45/46/653864546.db2.gz GPNRDHRKUPEXNZ-ZDUSSCGKSA-N 1 0 382.302 2.448 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000884126369 653864957 /nfs/dbraw/zinc/86/49/57/653864957.db2.gz XSZWUQOOIDFLQB-SNVBAGLBSA-N 1 0 379.404 2.261 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000845859602 653866146 /nfs/dbraw/zinc/86/61/46/653866146.db2.gz OJUZBMHKZXLINY-CYBMUJFWSA-N 1 0 376.881 2.401 20 0 GEADRO [NH3+][C@H](C(=O)NCCc1nnc2n1CCCCC2)c1ccc(Br)cc1 ZINC000884182222 653867049 /nfs/dbraw/zinc/86/70/49/653867049.db2.gz CBPBSDMYQBTJHN-INIZCTEOSA-N 1 0 392.301 2.126 20 0 GEADRO CS[C@@H]1CN(C(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1[NH+](C)C ZINC000845893132 653868509 /nfs/dbraw/zinc/86/85/09/653868509.db2.gz OZVWSSFSDNNEOG-VXGBXAGGSA-N 1 0 381.489 2.041 20 0 GEADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884237035 653869042 /nfs/dbraw/zinc/86/90/42/653869042.db2.gz OZJDIHDMYHAKTG-NQKGRLOXSA-N 1 0 393.281 2.401 20 0 GEADRO [NH3+][C@H](CNC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1 ZINC000884242433 653869051 /nfs/dbraw/zinc/86/90/51/653869051.db2.gz WJLKIFSNMTUIFP-SNVBAGLBSA-N 1 0 384.665 2.150 20 0 GEADRO Cc1nnc([C@@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)C2)[nH]1 ZINC000884233807 653869053 /nfs/dbraw/zinc/86/90/53/653869053.db2.gz ZMCSRZATRRZLTR-OCCSQVGLSA-N 1 0 378.274 2.282 20 0 GEADRO [NH3+]Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc(C(F)(F)F)c1 ZINC000884274742 653869929 /nfs/dbraw/zinc/86/99/29/653869929.db2.gz UCZPPUXOCSSRQG-OJNYZHBWSA-N 1 0 376.400 2.458 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC[C@@H]1[NH3+] ZINC000884270314 653870049 /nfs/dbraw/zinc/87/00/49/653870049.db2.gz KJOSDCKRVHOEOV-WKPIXPDZSA-N 1 0 381.270 2.116 20 0 GEADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000884280515 653870386 /nfs/dbraw/zinc/87/03/86/653870386.db2.gz MPZBJRDHNDNMKX-YJBOKZPZSA-N 1 0 393.281 2.133 20 0 GEADRO COC[C@H](NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)c1cccc(Br)c1 ZINC000896250744 653870587 /nfs/dbraw/zinc/87/05/87/653870587.db2.gz SDIZLTFERFWAJK-CWRNSKLLSA-N 1 0 382.302 2.482 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884289665 653870976 /nfs/dbraw/zinc/87/09/76/653870976.db2.gz GWBOEBRJPAWBOW-XHBSWPGZSA-N 1 0 395.297 2.412 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)Nc2ccc(C[NH2+]C)cc2)cs1)C(N)=O ZINC000884298376 653871059 /nfs/dbraw/zinc/87/10/59/653871059.db2.gz PQDJZOMZDKEAMQ-CQSZACIVSA-N 1 0 378.523 2.400 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]Cc2cc3cnccc3o2)CC1)C(F)(F)F ZINC000845938987 653871559 /nfs/dbraw/zinc/87/15/59/653871559.db2.gz IDPOERHIGLLQLO-UHFFFAOYSA-N 1 0 377.388 2.479 20 0 GEADRO CC[N@H+](CCC1CCN(S(=O)(=O)N=[S@@](C)(=O)CC)CC1)CC(C)C ZINC000867054584 653871988 /nfs/dbraw/zinc/87/19/88/653871988.db2.gz RNWOXCWTXUNSSM-QHCPKHFHSA-N 1 0 381.608 2.429 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000823572146 653872224 /nfs/dbraw/zinc/87/22/24/653872224.db2.gz PODAYXZSYWJNPQ-ZDUSSCGKSA-N 1 0 383.290 2.215 20 0 GEADRO CC(C)[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000884325593 653872354 /nfs/dbraw/zinc/87/23/54/653872354.db2.gz VJNFPBMUXMXBKS-UONOGXRCSA-N 1 0 380.432 2.281 20 0 GEADRO Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br ZINC000896287839 653872743 /nfs/dbraw/zinc/87/27/43/653872743.db2.gz WUOSKBTZYAKSGT-SJORKVTESA-N 1 0 396.329 2.498 20 0 GEADRO Cn1c(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)nnc1C1CCC1 ZINC000884332094 653872764 /nfs/dbraw/zinc/87/27/64/653872764.db2.gz DZLPLGPYYFIAPJ-AWEZNQCLSA-N 1 0 378.274 2.161 20 0 GEADRO C[C@H](C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(C(F)(F)F)cc1 ZINC000896312194 653873735 /nfs/dbraw/zinc/87/37/35/653873735.db2.gz AJGHHVIDWQZOFQ-LLVKDONJSA-N 1 0 386.461 2.456 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000884348035 653873811 /nfs/dbraw/zinc/87/38/11/653873811.db2.gz MJQAXHQGHGFYGP-CABCVRRESA-N 1 0 387.933 2.226 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)CCCc3ccc(Br)cc3)C[C@H]2[NH3+])cn1 ZINC000884371507 653874366 /nfs/dbraw/zinc/87/43/66/653874366.db2.gz PUMACXQWIBQMCE-DLBZAZTESA-N 1 0 391.313 2.459 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884378266 653874488 /nfs/dbraw/zinc/87/44/88/653874488.db2.gz NCGTWSUMDFBOKH-LBPRGKRZSA-N 1 0 377.304 2.273 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000884378521 653874807 /nfs/dbraw/zinc/87/48/07/653874807.db2.gz VKPHGTPCWRURLC-OAHLLOKOSA-N 1 0 396.329 2.148 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884388818 653875123 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Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000884495887 653878665 /nfs/dbraw/zinc/87/86/65/653878665.db2.gz GWAGUYIIBYOTFZ-UHFFFAOYSA-N 1 0 384.318 2.351 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000896409948 653878763 /nfs/dbraw/zinc/87/87/63/653878763.db2.gz NQLLUQDRZUEVGU-SNVBAGLBSA-N 1 0 392.285 2.419 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CN(c3ncncc3-c3ccc(Br)cc3)C2)C1 ZINC000884541866 653880104 /nfs/dbraw/zinc/88/01/04/653880104.db2.gz PNHKUXUOQKMPJB-OAHLLOKOSA-N 1 0 375.270 2.161 20 0 GEADRO C[C@@H](NS(=O)(=O)c1nc[nH]c1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000867119590 653882085 /nfs/dbraw/zinc/88/20/85/653882085.db2.gz GGMDCDUFYWRZMD-PWSUYJOCSA-N 1 0 387.303 2.142 20 0 GEADRO CCN(C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000884601728 653882226 /nfs/dbraw/zinc/88/22/26/653882226.db2.gz UFSWHWDGWWCSQD-HNNXBMFYSA-N 1 0 396.329 2.053 20 0 GEADRO C[C@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)[C@@H]1C[N@H+](C)CCN1C ZINC000896532178 653882406 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377.794 2.091 20 0 GEADRO C[C@@H](NC(=O)c1cc(Br)c(F)cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896541860 653884151 /nfs/dbraw/zinc/88/41/51/653884151.db2.gz IPGAEIORPLOPAF-YMTOWFKASA-N 1 0 376.245 2.091 20 0 GEADRO C[C@@H](NC(=O)c1c(F)ccc(Br)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896545213 653884355 /nfs/dbraw/zinc/88/43/55/653884355.db2.gz PMKUTCLLCWMQFJ-SKDRFNHKSA-N 1 0 376.245 2.091 20 0 GEADRO C[C@@H](NC(=O)CCc1cc(F)ccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896547380 653884428 /nfs/dbraw/zinc/88/44/28/653884428.db2.gz DWMYJZYKYSOXKZ-WBMJQRKESA-N 1 0 386.309 2.271 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884691694 653884546 /nfs/dbraw/zinc/88/45/46/653884546.db2.gz PCCJGGBKCUSWIE-SNVBAGLBSA-N 1 0 377.794 2.091 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884691693 653884579 /nfs/dbraw/zinc/88/45/79/653884579.db2.gz PCCJGGBKCUSWIE-JTQLQIEISA-N 1 0 377.794 2.091 20 0 GEADRO C[C@@H](NC(=O)C1(c2ccccc2Br)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896545760 653884687 /nfs/dbraw/zinc/88/46/87/653884687.db2.gz PYCZJWFQTNGOGX-CJNGLKHVSA-N 1 0 380.330 2.231 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(Cn3c(=O)oc4cc(Br)c(F)cc43)C2)C1 ZINC000793769852 653884812 /nfs/dbraw/zinc/88/48/12/653884812.db2.gz USLOOWGWYQDWSI-MRXNPFEDSA-N 1 0 384.249 2.481 20 0 GEADRO C[C@@H](NC(=O)C(C)(C)c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896558818 653885499 /nfs/dbraw/zinc/88/54/99/653885499.db2.gz ZGDOMECVGSEVRT-CJNGLKHVSA-N 1 0 382.346 2.477 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000793814891 653885654 /nfs/dbraw/zinc/88/56/54/653885654.db2.gz BOESQYXIVJEQAR-BZUAXINKSA-N 1 0 387.615 2.111 20 0 GEADRO C[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)[C@@H]1C[N@H+](C)CCN1C ZINC000896556841 653885645 /nfs/dbraw/zinc/88/56/45/653885645.db2.gz QITFOXVILZVECE-SJCJKPOMSA-N 1 0 393.329 2.223 20 0 GEADRO C[C@@H](NC(=O)CCCOc1ccccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896570932 653886154 /nfs/dbraw/zinc/88/61/54/653886154.db2.gz NGOCIPRZIDUXTI-ZBFHGGJFSA-N 1 0 398.345 2.359 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884723939 653886225 /nfs/dbraw/zinc/88/62/25/653886225.db2.gz DMQBRVIEHFDXOK-KOLCDFICSA-N 1 0 377.794 2.219 20 0 GEADRO COc1ccc(CCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1Br ZINC000896572549 653886248 /nfs/dbraw/zinc/88/62/48/653886248.db2.gz QICRXTLQCAXDOJ-CJNGLKHVSA-N 1 0 398.345 2.141 20 0 GEADRO C[C@H](NC(=O)CCCOc1cccc(Br)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896579820 653886446 /nfs/dbraw/zinc/88/64/46/653886446.db2.gz IVITUZYTLZTNKM-YOEHRIQHSA-N 1 0 398.345 2.359 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1cc(Br)ccc1Cl ZINC000896591386 653886864 /nfs/dbraw/zinc/88/68/64/653886864.db2.gz BSWWALHORRCCLU-UHFFFAOYSA-N 1 0 390.709 2.358 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000884751644 653887585 /nfs/dbraw/zinc/88/75/85/653887585.db2.gz NJPSDZYWQZZECS-ZFWWWQNUSA-N 1 0 386.539 2.005 20 0 GEADRO CSCC1(CCNC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CC1 ZINC000884778444 653889510 /nfs/dbraw/zinc/88/95/10/653889510.db2.gz VVRQZPHAYMUPEI-UHFFFAOYSA-N 1 0 383.945 2.277 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000896693400 653891498 /nfs/dbraw/zinc/89/14/98/653891498.db2.gz LLPDCMNSTGOFGE-FGWVZKOKSA-N 1 0 388.253 2.068 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2Br)C[C@H]1C[NH3+] ZINC000846232309 653892126 /nfs/dbraw/zinc/89/21/26/653892126.db2.gz OYLQJPSLMIBXES-KHGFPJFYSA-N 1 0 389.315 2.045 20 0 GEADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([NH2+]CCOC)CC2)c1 ZINC000846230918 653892184 /nfs/dbraw/zinc/89/21/84/653892184.db2.gz WEQOAHLFOCVNCF-UHFFFAOYSA-N 1 0 388.917 2.322 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NCCC2(C[NH3+])CC2)ccc1Br ZINC000846230337 653892223 /nfs/dbraw/zinc/89/22/23/653892223.db2.gz GCQMPNKKWFGMBV-UHFFFAOYSA-N 1 0 375.288 2.059 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NCCC2CC[NH2+]CC2)c(C)c1Cl ZINC000846234781 653892787 /nfs/dbraw/zinc/89/27/87/653892787.db2.gz LDUYFBZPJOKUGW-UHFFFAOYSA-N 1 0 380.919 2.165 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846240454 653893049 /nfs/dbraw/zinc/89/30/49/653893049.db2.gz AHNSIGQLXXTLAT-MSOLQXFVSA-N 1 0 375.916 2.388 20 0 GEADRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCn2cc(Br)cn2)C1 ZINC000824376809 653893260 /nfs/dbraw/zinc/89/32/60/653893260.db2.gz OWYIEZXZMZSFHG-LRDDRELGSA-N 1 0 385.306 2.492 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1csc(Br)n1 ZINC000824432080 653894711 /nfs/dbraw/zinc/89/47/11/653894711.db2.gz MLALPIGSNYBEEU-CYBMUJFWSA-N 1 0 396.310 2.402 20 0 GEADRO COC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCCC1 ZINC000824446354 653895224 /nfs/dbraw/zinc/89/52/24/653895224.db2.gz WDXYCZNWZOPXSW-CYBMUJFWSA-N 1 0 375.922 2.253 20 0 GEADRO C[C@@H]1C[NH+](Cc2ccc(CNS(=O)(=O)c3ccns3)cc2)C[C@@H](C)O1 ZINC000884926957 653895401 /nfs/dbraw/zinc/89/54/01/653895401.db2.gz HOLSGAMNCIHISE-ZIAGYGMSSA-N 1 0 381.523 2.231 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1Cl ZINC000884954668 653897334 /nfs/dbraw/zinc/89/73/34/653897334.db2.gz IEGNJIWNAFZGCZ-MNOVXSKESA-N 1 0 392.930 2.402 20 0 GEADRO COc1cc2[nH+]ccc(N3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)c2cc1Br ZINC000896909049 653898906 /nfs/dbraw/zinc/89/89/06/653898906.db2.gz NGVDNTVFHNJISX-PHIMTYICSA-N 1 0 397.294 2.487 20 0 GEADRO CCN(C(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000884976978 653902525 /nfs/dbraw/zinc/90/25/25/653902525.db2.gz GAASOEJTQVIQMD-NSHDSACASA-N 1 0 377.794 2.185 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884977558 653902685 /nfs/dbraw/zinc/90/26/85/653902685.db2.gz WTWGLSOKJHBVHZ-NSHDSACASA-N 1 0 377.794 2.043 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cccnc2Br)CC1 ZINC000794343666 653904306 /nfs/dbraw/zinc/90/43/06/653904306.db2.gz KJOFCTACQUDFNI-UHFFFAOYSA-N 1 0 377.242 2.210 20 0 GEADRO COc1ccc(C(=O)NOC2CC[NH+](C)CC2)cc1I ZINC000846648421 653905501 /nfs/dbraw/zinc/90/55/01/653905501.db2.gz XVBXOFVDUZACOT-UHFFFAOYSA-N 1 0 390.221 2.055 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2ccc(I)cc2F)CC1 ZINC000846650651 653905921 /nfs/dbraw/zinc/90/59/21/653905921.db2.gz BOSIZFIOWVROIO-UHFFFAOYSA-N 1 0 378.185 2.186 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885012933 653906060 /nfs/dbraw/zinc/90/60/60/653906060.db2.gz UHZUKXBENFMFFY-RBVVOMGSSA-N 1 0 394.313 2.054 20 0 GEADRO [NH3+]CCC1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000846696364 653906640 /nfs/dbraw/zinc/90/66/40/653906640.db2.gz RPBCKCCGLKBLNV-UHFFFAOYSA-N 1 0 378.274 2.231 20 0 GEADRO CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)C1CCCCC1 ZINC000846720298 653907273 /nfs/dbraw/zinc/90/72/73/653907273.db2.gz AOASJJHJVPMFJD-ZDUSSCGKSA-N 1 0 378.344 2.457 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)C1 ZINC000846720330 653907332 /nfs/dbraw/zinc/90/73/32/653907332.db2.gz FOBUVBCFVJOCLJ-ZTFGCOKTSA-N 1 0 375.916 2.436 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)c1cccs1 ZINC000846720956 653907573 /nfs/dbraw/zinc/90/75/73/653907573.db2.gz CXIWYSVMCFTOHL-RLCCDNCMSA-N 1 0 375.897 2.288 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000846727286 653907964 /nfs/dbraw/zinc/90/79/64/653907964.db2.gz RXFSNINHYKUHIG-IZOOLLGQSA-N 1 0 375.916 2.290 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824772678 653908255 /nfs/dbraw/zinc/90/82/55/653908255.db2.gz GVTSXCNIRAZEPF-CQSZACIVSA-N 1 0 395.356 2.353 20 0 GEADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000897219933 653911263 /nfs/dbraw/zinc/91/12/63/653911263.db2.gz QITNMRJYMQKNBD-ZIAGYGMSSA-N 1 0 398.301 2.056 20 0 GEADRO Cn1ncc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1Br ZINC000794593664 653912892 /nfs/dbraw/zinc/91/28/92/653912892.db2.gz NUQMQIOTYGNXJN-ZDUSSCGKSA-N 1 0 379.258 2.002 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(C)cnc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000885115947 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CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000825196518 653920349 /nfs/dbraw/zinc/92/03/49/653920349.db2.gz IBKXWYMJUYUCAE-NWDGAFQWSA-N 1 0 387.933 2.274 20 0 GEADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(F)(F)F ZINC000825202067 653921031 /nfs/dbraw/zinc/92/10/31/653921031.db2.gz PBDFOCMNZCZFFB-YPMHNXCESA-N 1 0 377.794 2.084 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nccn2c(Br)cnc12 ZINC000847257441 653921979 /nfs/dbraw/zinc/92/19/79/653921979.db2.gz XEDZDZMLCNJJMU-NEPJUHHUSA-N 1 0 378.274 2.239 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000825332496 653925670 /nfs/dbraw/zinc/92/56/70/653925670.db2.gz YYHPIYKLJRWMBW-CABCVRRESA-N 1 0 388.965 2.119 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897539371 653926100 /nfs/dbraw/zinc/92/61/00/653926100.db2.gz AGNFMGUJGXWXAS-LZWOXQAQSA-N 1 0 389.949 2.235 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3nc(F)ccc3Br)CC2)CC1 ZINC000847408689 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CCCN(CC[NH+](CC)CC)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867529689 653946219 /nfs/dbraw/zinc/94/62/19/653946219.db2.gz LXPSJQFJWGMECE-UHFFFAOYSA-N 1 0 399.333 2.041 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2Cl)CCO1 ZINC000867537442 653948139 /nfs/dbraw/zinc/94/81/39/653948139.db2.gz JNWVXXYGIDIDFV-HNNXBMFYSA-N 1 0 378.897 2.352 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cnn(C(C)(C)C)c2I)CC1 ZINC000897988900 653948817 /nfs/dbraw/zinc/94/88/17/653948817.db2.gz ALEGFUDAQMYPLI-UHFFFAOYSA-N 1 0 390.269 2.067 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000898030193 653950511 /nfs/dbraw/zinc/95/05/11/653950511.db2.gz OXVNDDCYLXFTLT-LBPRGKRZSA-N 1 0 384.307 2.419 20 0 GEADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCn2c(Br)cnc2C1 ZINC000847908757 653951535 /nfs/dbraw/zinc/95/15/35/653951535.db2.gz HJSHPHJBSCTLLU-CYBMUJFWSA-N 1 0 399.358 2.205 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898117810 653954542 /nfs/dbraw/zinc/95/45/42/653954542.db2.gz 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386.539 2.036 20 0 GEADRO COc1cc(Br)cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000885896114 653962467 /nfs/dbraw/zinc/96/24/67/653962467.db2.gz UVDTWJWNINCIQX-OAHLLOKOSA-N 1 0 383.286 2.441 20 0 GEADRO COC(=O)c1nn(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(C)c1Br ZINC000795700762 653963294 /nfs/dbraw/zinc/96/32/94/653963294.db2.gz LGZMMHZRHKHKBI-DGCLKSJQSA-N 1 0 385.306 2.257 20 0 GEADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CC1 ZINC000867632121 653965137 /nfs/dbraw/zinc/96/51/37/653965137.db2.gz RBHRFEQHSKIJLL-UHFFFAOYSA-N 1 0 389.905 2.017 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795759458 653965356 /nfs/dbraw/zinc/96/53/56/653965356.db2.gz MCHIZGKMAFGNSP-JTQLQIEISA-N 1 0 378.853 2.028 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898379465 653965659 /nfs/dbraw/zinc/96/56/59/653965659.db2.gz GPQQEALGBNWIGQ-UVBJJODRSA-N 1 0 397.313 2.477 20 0 GEADRO CC[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795791841 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COc1cc(C)c(Br)cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000795849804 653970302 /nfs/dbraw/zinc/97/03/02/653970302.db2.gz BAQMQUMAYCKYBJ-STQMWFEESA-N 1 0 383.286 2.359 20 0 GEADRO Cc1c(Cl)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)sc1S(N)(=O)=O ZINC000848351899 653971787 /nfs/dbraw/zinc/97/17/87/653971787.db2.gz HGXCAOGGKSAKPY-GHMZBOCLSA-N 1 0 391.946 2.104 20 0 GEADRO Cc1c(Cl)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)sc1S(N)(=O)=O ZINC000848351901 653971892 /nfs/dbraw/zinc/97/18/92/653971892.db2.gz HGXCAOGGKSAKPY-QWRGUYRKSA-N 1 0 391.946 2.104 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2c[nH]nc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000898479929 653972525 /nfs/dbraw/zinc/97/25/25/653972525.db2.gz KUHPCGVFEYCOCD-QWHCGFSZSA-N 1 0 395.305 2.358 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C1 ZINC000795865730 653972521 /nfs/dbraw/zinc/97/25/21/653972521.db2.gz DSINREYXJOJADU-LLVKDONJSA-N 1 0 392.880 2.228 20 0 GEADRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000886223699 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CCn1c(Br)ncc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000900979344 654100513 /nfs/dbraw/zinc/10/05/13/654100513.db2.gz AENWEUNWJLESTA-STQMWFEESA-N 1 0 387.322 2.285 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000850728429 654101991 /nfs/dbraw/zinc/10/19/91/654101991.db2.gz RMRKTPJWICJTKW-UHFFFAOYSA-N 1 0 383.392 2.190 20 0 GEADRO O=C(Nc1nc2ccc(Cl)nc2s1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000888783308 654103715 /nfs/dbraw/zinc/10/37/15/654103715.db2.gz NROMXDLRFBHQGY-NWDGAFQWSA-N 1 0 381.889 2.408 20 0 GEADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901104748 654108842 /nfs/dbraw/zinc/10/88/42/654108842.db2.gz JLMKRVHKXLGSOM-YCPHGPKFSA-N 1 0 397.313 2.322 20 0 GEADRO CC[N@H+](CCNC(=O)N1CC[C@@](CO)(C(F)(F)F)C1)CCC(F)(F)F ZINC000888874622 654110168 /nfs/dbraw/zinc/11/01/68/654110168.db2.gz RRNVENDJHIVOJA-GFCCVEGCSA-N 1 0 379.345 2.217 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1cc(Cl)ccc1Br ZINC000901150536 654112464 /nfs/dbraw/zinc/11/24/64/654112464.db2.gz QCWHVAAQNUMBCM-WFASDCNBSA-N 1 0 375.694 2.216 20 0 GEADRO CN1CCN(C(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC[N@H+](C)CC1 ZINC000888977486 654117420 /nfs/dbraw/zinc/11/74/20/654117420.db2.gz CQLHYVFNGJVSJW-HKUYNNGSSA-N 1 0 394.357 2.433 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)c1F ZINC000917237318 654117512 /nfs/dbraw/zinc/11/75/12/654117512.db2.gz PPUAGPXNYCHSNY-SECBINFHSA-N 1 0 383.283 2.215 20 0 GEADRO CN1CCN(C(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC[N@H+](C)CC1 ZINC000888978055 654117566 /nfs/dbraw/zinc/11/75/66/654117566.db2.gz VHLOCJWFERDKIE-RCCFBDPRSA-N 1 0 392.341 2.041 20 0 GEADRO CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@H+](C)CC1 ZINC000888982257 654117984 /nfs/dbraw/zinc/11/79/84/654117984.db2.gz LJQUQQQOHLGWJT-DLBZAZTESA-N 1 0 380.330 2.258 20 0 GEADRO CN1CCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC[N@H+](C)CC1 ZINC000888983816 654118404 /nfs/dbraw/zinc/11/84/04/654118404.db2.gz QREBCVVKWDBTRM-UHFFFAOYSA-N 1 0 398.320 2.326 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000901288230 654118870 /nfs/dbraw/zinc/11/88/70/654118870.db2.gz KRCIACXGIDIDSW-UHFFFAOYSA-N 1 0 385.295 2.386 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000901290743 654119222 /nfs/dbraw/zinc/11/92/22/654119222.db2.gz UQDZJGUQBVBGOQ-QGZVFWFLSA-N 1 0 375.296 2.161 20 0 GEADRO COc1cc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc(OC)c1Br ZINC000901331285 654120835 /nfs/dbraw/zinc/12/08/35/654120835.db2.gz SDVDPEUIUPZOKS-MRXNPFEDSA-N 1 0 387.274 2.252 20 0 GEADRO O=C(Nc1ccccc1Br)c1cc(CC2(O)CC[NH2+]CC2)on1 ZINC000901390783 654122984 /nfs/dbraw/zinc/12/29/84/654122984.db2.gz XKOAGLGCFIYEGV-UHFFFAOYSA-N 1 0 380.242 2.346 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000917527759 654127140 /nfs/dbraw/zinc/12/71/40/654127140.db2.gz OHZBYPQEWOZVTM-UHFFFAOYSA-N 1 0 380.432 2.219 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(Br)cc1 ZINC000901606787 654134239 /nfs/dbraw/zinc/13/42/39/654134239.db2.gz JDESKSARWBEIBP-LSDHHAIUSA-N 1 0 383.286 2.293 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(Br)cc1 ZINC000901606784 654134275 /nfs/dbraw/zinc/13/42/75/654134275.db2.gz JDESKSARWBEIBP-CABCVRRESA-N 1 0 383.286 2.293 20 0 GEADRO CS(=O)(=O)c1ccc(C(=O)OCCC[NH+]2CCCC2)cc1Br ZINC000800192729 654136156 /nfs/dbraw/zinc/13/61/56/654136156.db2.gz FVNLUADEOWRXDB-UHFFFAOYSA-N 1 0 390.299 2.495 20 0 GEADRO NC(=O)COc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000800288176 654139571 /nfs/dbraw/zinc/13/95/71/654139571.db2.gz ITRQKFKJIKIPRV-INIZCTEOSA-N 1 0 379.254 2.136 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000800312425 654140494 /nfs/dbraw/zinc/14/04/94/654140494.db2.gz DKXMQFFCXFRWHO-HJWRWDBZSA-N 1 0 377.286 2.492 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NCc1ccccc1F ZINC000901728901 654144040 /nfs/dbraw/zinc/14/40/40/654144040.db2.gz OUDPVNZWDSVJJT-WCQYABFASA-N 1 0 395.276 2.394 20 0 GEADRO CN(C)C(=O)[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901731317 654144981 /nfs/dbraw/zinc/14/49/81/654144981.db2.gz ZWNXGKZQQVQTDR-XJKSGUPXSA-N 1 0 377.286 2.380 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C[C@@H](O)C[NH+]1CCCC1 ZINC000800451841 654145732 /nfs/dbraw/zinc/14/57/32/654145732.db2.gz MQUNDYZMGZOOPO-KRWDZBQOSA-N 1 0 388.339 2.388 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1OC ZINC000918359610 654149248 /nfs/dbraw/zinc/14/92/48/654149248.db2.gz FEKOIBTVVDIECC-IAGOWNOFSA-N 1 0 388.917 2.320 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000918350884 654149264 /nfs/dbraw/zinc/14/92/64/654149264.db2.gz FSUUGNDSWIVUEZ-IRXDYDNUSA-N 1 0 386.901 2.089 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1OC ZINC000918359611 654149394 /nfs/dbraw/zinc/14/93/94/654149394.db2.gz FEKOIBTVVDIECC-IRXDYDNUSA-N 1 0 388.917 2.320 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000918503055 654153592 /nfs/dbraw/zinc/15/35/92/654153592.db2.gz QRICLLTVIIBLIU-IRXDYDNUSA-N 1 0 390.908 2.308 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)Nc1nc2cc(F)c(Br)cc2[nH]1 ZINC000889646235 654154650 /nfs/dbraw/zinc/15/46/50/654154650.db2.gz IHMOXNVNGGRPRX-UHFFFAOYSA-N 1 0 395.236 2.475 20 0 GEADRO CC[NH+]1CCN(CC(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)CC1 ZINC000889648406 654155861 /nfs/dbraw/zinc/15/58/61/654155861.db2.gz VGGRBTGMNKKAKO-UHFFFAOYSA-N 1 0 384.253 2.041 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(CCNC(C)=O)Cc1ccc(C)s1 ZINC000800819561 654158909 /nfs/dbraw/zinc/15/89/09/654158909.db2.gz PLTHMEOCIDSZIY-MRXNPFEDSA-N 1 0 382.599 2.353 20 0 GEADRO CS(=O)(=O)NC1CC([NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000800890484 654163599 /nfs/dbraw/zinc/16/35/99/654163599.db2.gz JTBIIBBUTKEVQO-UHFFFAOYSA-N 1 0 390.328 2.229 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OC3CC3)cc2)C[C@H]1[NH+]1CCCC1 ZINC000831136117 654166360 /nfs/dbraw/zinc/16/63/60/654166360.db2.gz ZCCVLTPCYZAMGO-MSOLQXFVSA-N 1 0 382.551 2.428 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1Cl ZINC000918947113 654166390 /nfs/dbraw/zinc/16/63/90/654166390.db2.gz KABKMGXBMUSYPL-OAHLLOKOSA-N 1 0 381.325 2.379 20 0 GEADRO O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851635805 654166716 /nfs/dbraw/zinc/16/67/16/654166716.db2.gz NDKLWMUGWNNUBM-HNNXBMFYSA-N 1 0 376.400 2.196 20 0 GEADRO C[C@]1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1(Br)Br ZINC000851635139 654166743 /nfs/dbraw/zinc/16/67/43/654166743.db2.gz IYANMEZVZFFSND-VXGBXAGGSA-N 1 0 380.124 2.485 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)C[C@H]21 ZINC000851636223 654167267 /nfs/dbraw/zinc/16/72/67/654167267.db2.gz UOUIMHJXEQMURD-MRVWCRGKSA-N 1 0 376.400 2.180 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889748936 654167319 /nfs/dbraw/zinc/16/73/19/654167319.db2.gz DNUKBFYXEVVVTI-DLBZAZTESA-N 1 0 381.314 2.358 20 0 GEADRO [NH3+]CCCCCCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000831155357 654167425 /nfs/dbraw/zinc/16/74/25/654167425.db2.gz HKISUGRUUPFIEA-HNNXBMFYSA-N 1 0 397.317 2.373 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000889752334 654167702 /nfs/dbraw/zinc/16/77/02/654167702.db2.gz UVQBIMCGCJVNSO-SJORKVTESA-N 1 0 396.329 2.186 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000851660273 654168063 /nfs/dbraw/zinc/16/80/63/654168063.db2.gz JMWLBICYCANXQR-HZPDHXFCSA-N 1 0 392.301 2.091 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851662210 654168087 /nfs/dbraw/zinc/16/80/87/654168087.db2.gz CKDSLCHHAYUQCD-KKZNHRDASA-N 1 0 383.128 2.119 20 0 GEADRO C[C@]12CCN(C(=O)NC[C@H]([NH3+])C3CC3)C[C@H]1C2(Br)Br ZINC000851662645 654168208 /nfs/dbraw/zinc/16/82/08/654168208.db2.gz GLAZCOQTZVBBFT-UMNHJUIQSA-N 1 0 395.139 2.261 20 0 GEADRO O=C(c1c(F)ccc(Br)c1F)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756117 654168411 /nfs/dbraw/zinc/16/84/11/654168411.db2.gz LISYMLDIDQEDDL-OLZOCXBDSA-N 1 0 389.240 2.399 20 0 GEADRO CC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2C(=O)OC)CC1 ZINC000902230768 654168746 /nfs/dbraw/zinc/16/87/46/654168746.db2.gz LMFOYBFMSSYDFM-UHFFFAOYSA-N 1 0 399.285 2.215 20 0 GEADRO O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756626 654168918 /nfs/dbraw/zinc/16/89/18/654168918.db2.gz PNGWWOLSFZXWTC-CHWSQXEVSA-N 1 0 377.794 2.425 20 0 GEADRO CC(C)(C)n1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)n1 ZINC000889760653 654169386 /nfs/dbraw/zinc/16/93/86/654169386.db2.gz HUUWZBFNZAHPQS-UONOGXRCSA-N 1 0 399.333 2.072 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831193940 654169929 /nfs/dbraw/zinc/16/99/29/654169929.db2.gz URPKUUGSSBCZKE-CABCVRRESA-N 1 0 382.302 2.266 20 0 GEADRO COc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)sc1Br ZINC000889764972 654170075 /nfs/dbraw/zinc/17/00/75/654170075.db2.gz UZTSGHMBFHLGIZ-MNOVXSKESA-N 1 0 389.315 2.190 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889768642 654171367 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C[NH+]1CCN(c2ccnc(NC(=O)c3ccnc(Br)c3)c2)CC1 ZINC000870667356 654187476 /nfs/dbraw/zinc/18/74/76/654187476.db2.gz WFXRGSUYIQSKAE-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO CC[NH+]1CCC(NC(=O)Cn2ccc3c(Br)csc3c2=O)CC1 ZINC000902613857 654187961 /nfs/dbraw/zinc/18/79/61/654187961.db2.gz RFWPYJOPTMVJBI-UHFFFAOYSA-N 1 0 398.326 2.426 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000851845705 654190666 /nfs/dbraw/zinc/19/06/66/654190666.db2.gz QGTXKLHCASRJSI-ZDUSSCGKSA-N 1 0 379.463 2.070 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000890050773 654194553 /nfs/dbraw/zinc/19/45/53/654194553.db2.gz YGNXGVLYUCPZKE-YCPHGPKFSA-N 1 0 393.281 2.274 20 0 GEADRO C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1cnn(C)c1I ZINC000870783671 654195814 /nfs/dbraw/zinc/19/58/14/654195814.db2.gz ATVUVCQZFGFRGX-WDEREUQCSA-N 1 0 391.253 2.444 20 0 GEADRO C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1c(I)cnn1C ZINC000870787554 654196184 /nfs/dbraw/zinc/19/61/84/654196184.db2.gz XKGUCEIPDWCVSI-GHMZBOCLSA-N 1 0 391.253 2.444 20 0 GEADRO Cc1csc([C@@](O)(CC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(F)(F)F)n1 ZINC000890078356 654196140 /nfs/dbraw/zinc/19/61/40/654196140.db2.gz BOMUCSSTBBYUKD-HNNXBMFYSA-N 1 0 379.448 2.440 20 0 GEADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1ccc(Br)o1 ZINC000851879569 654198792 /nfs/dbraw/zinc/19/87/92/654198792.db2.gz LHFQEGFDLLNAHO-UHFFFAOYSA-N 1 0 377.304 2.442 20 0 GEADRO [NH3+][C@H](C(=O)NCCc1nnc2n1CCCCC2)c1cccc(Br)c1 ZINC000870859905 654200708 /nfs/dbraw/zinc/20/07/08/654200708.db2.gz KKDCASGSYVAIQJ-INIZCTEOSA-N 1 0 392.301 2.126 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000870875442 654201428 /nfs/dbraw/zinc/20/14/28/654201428.db2.gz CNVPPYOORBCUDI-NWDGAFQWSA-N 1 0 380.208 2.202 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000920073890 654201851 /nfs/dbraw/zinc/20/18/51/654201851.db2.gz FIDKWHUSSVSIIT-UHFFFAOYSA-N 1 0 393.289 2.128 20 0 GEADRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]CCn2cnc(Br)n2)cc1 ZINC000851894309 654202069 /nfs/dbraw/zinc/20/20/69/654202069.db2.gz ZABYKTXWONMPKU-INIZCTEOSA-N 1 0 394.317 2.012 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@@](O)(C(N)=O)c2ccccc2)cc1Br ZINC000851894159 654202239 /nfs/dbraw/zinc/20/22/39/654202239.db2.gz UBSXLJFGUQVVSN-SGTLLEGYSA-N 1 0 393.281 2.481 20 0 GEADRO CCO[C@@H](CNC(=O)c1ccc(I)cc1F)C[NH+](C)C ZINC000831713997 654202261 /nfs/dbraw/zinc/20/22/61/654202261.db2.gz RTHMZXHVBIYBOD-NSHDSACASA-N 1 0 394.228 2.127 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)c1cccs1 ZINC000902887036 654202399 /nfs/dbraw/zinc/20/23/99/654202399.db2.gz XVWWBHBMKPNMKW-BRWVUGGUSA-N 1 0 387.567 2.458 20 0 GEADRO CC(C)C(=O)N1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870879507 654202363 /nfs/dbraw/zinc/20/23/63/654202363.db2.gz BENQRDKNZANLAQ-HNNXBMFYSA-N 1 0 382.302 2.166 20 0 GEADRO [NH3+][C@H]1CC[C@H](C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000870878724 654202483 /nfs/dbraw/zinc/20/24/83/654202483.db2.gz QMOXTUZADRORBR-CTYIDZIISA-N 1 0 382.302 2.203 20 0 GEADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CC[NH2+]1 ZINC000851895986 654202981 /nfs/dbraw/zinc/20/29/81/654202981.db2.gz FSWYQCLJFWMECU-JTQLQIEISA-N 1 0 382.711 2.116 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@@H](N2CCCCC2=O)C1)c1cccc(Br)c1 ZINC000870884643 654203003 /nfs/dbraw/zinc/20/30/03/654203003.db2.gz DGIDSLJAZWDIOE-WBVHZDCISA-N 1 0 394.313 2.452 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1cccc(Br)c1 ZINC000870885103 654203025 /nfs/dbraw/zinc/20/30/25/654203025.db2.gz BMRIQJFZCGGAPR-HOCLYGCPSA-N 1 0 380.286 2.062 20 0 GEADRO NC(=O)[C@](O)(C[NH2+]C1(c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000851898240 654203397 /nfs/dbraw/zinc/20/33/97/654203397.db2.gz UIVRZXIIFUTSCQ-SFHVURJKSA-N 1 0 375.266 2.401 20 0 GEADRO CCO[C@H](CNC(=O)c1cn(C(C)(C)C)nc1Br)C[NH+](C)C ZINC000831731746 654204187 /nfs/dbraw/zinc/20/41/87/654204187.db2.gz SSSRVXDAGKNNSD-LLVKDONJSA-N 1 0 375.311 2.097 20 0 GEADRO O=C(c1cccnc1I)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000831735319 654204495 /nfs/dbraw/zinc/20/44/95/654204495.db2.gz NWCGJVOJRSLDNT-NWDGAFQWSA-N 1 0 385.249 2.148 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC[N@H+]1CCCC[C@H]1C ZINC000920180214 654204965 /nfs/dbraw/zinc/20/49/65/654204965.db2.gz QZESDYHOYAYAED-UKRRQHHQSA-N 1 0 388.965 2.169 20 0 GEADRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000870908449 654206566 /nfs/dbraw/zinc/20/65/66/654206566.db2.gz LEHYQKIPWFBKPU-SAZUREKKSA-N 1 0 396.329 2.419 20 0 GEADRO Cc1nnc([C@H]2CCCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)C2)[nH]1 ZINC000870906930 654206651 /nfs/dbraw/zinc/20/66/51/654206651.db2.gz SHKJWFVMNABGAB-GXTWGEPZSA-N 1 0 378.274 2.282 20 0 GEADRO Cc1nnc([C@@H]2CCCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)C2)[nH]1 ZINC000870906932 654206790 /nfs/dbraw/zinc/20/67/90/654206790.db2.gz SHKJWFVMNABGAB-OCCSQVGLSA-N 1 0 378.274 2.282 20 0 GEADRO Cc1nnc([C@H]2CCCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)C2)[nH]1 ZINC000870906931 654206846 /nfs/dbraw/zinc/20/68/46/654206846.db2.gz SHKJWFVMNABGAB-JSGCOSHPSA-N 1 0 378.274 2.282 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920281816 654208540 /nfs/dbraw/zinc/20/85/40/654208540.db2.gz HROYMYIFMKBICV-JOCBIADPSA-N 1 0 386.945 2.406 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(Cl)c1F)C2 ZINC000920281584 654208551 /nfs/dbraw/zinc/20/85/51/654208551.db2.gz FEDLDEFMRYFZGP-BQGCOEIASA-N 1 0 390.908 2.237 20 0 GEADRO CCO[C@@H](CNC(=O)CSc1ncnc2sc(C)c(C)c21)C[NH+](C)C ZINC000831776726 654208554 /nfs/dbraw/zinc/20/85/54/654208554.db2.gz LXBCTWKKKYQYNI-ZDUSSCGKSA-N 1 0 382.555 2.483 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000870932033 654208887 /nfs/dbraw/zinc/20/88/87/654208887.db2.gz USVRZUYVPQXGIU-KANYHAFZSA-N 1 0 377.242 2.243 20 0 GEADRO Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920281881 654209031 /nfs/dbraw/zinc/20/90/31/654209031.db2.gz IHGZUBVTVIGCGY-JOCBIADPSA-N 1 0 386.945 2.406 20 0 GEADRO CSc1ccc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000920283031 654209094 /nfs/dbraw/zinc/20/90/94/654209094.db2.gz VSOHBXNVLAOALW-BDXSIMOUSA-N 1 0 384.567 2.167 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000831786387 654209292 /nfs/dbraw/zinc/20/92/92/654209292.db2.gz ZQAKDBSFVLOVPV-UHFFFAOYSA-N 1 0 392.244 2.102 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000870935717 654209207 /nfs/dbraw/zinc/20/92/07/654209207.db2.gz RMEHZLGFBYHBDB-JTQLQIEISA-N 1 0 388.249 2.499 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(C(C)C)c2I)C1 ZINC000870933900 654209280 /nfs/dbraw/zinc/20/92/80/654209280.db2.gz ZVSFETMBXOGKCA-NSHDSACASA-N 1 0 390.269 2.140 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCc3cccs3)C2)[C@@H]1C(C)C ZINC000920304532 654209808 /nfs/dbraw/zinc/20/98/08/654209808.db2.gz ZTJBDASYIJIWDG-BDXSIMOUSA-N 1 0 386.583 2.080 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@](O)(C(N)=O)c1ccccc1 ZINC000851976868 654210102 /nfs/dbraw/zinc/21/01/02/654210102.db2.gz ZTVBKOBEOBCEFO-KPZWWZAWSA-N 1 0 393.281 2.481 20 0 GEADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@]1(F)CCS(=O)(=O)C1 ZINC000903021021 654210788 /nfs/dbraw/zinc/21/07/88/654210788.db2.gz LTEDUWUNJZXFPX-QGZVFWFLSA-N 1 0 386.514 2.009 20 0 GEADRO O=C1C[C@H](C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CN1 ZINC000852004711 654211976 /nfs/dbraw/zinc/21/19/76/654211976.db2.gz SGKHOZOAKIOOIS-PELKAZGASA-N 1 0 381.192 2.227 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000870946574 654212594 /nfs/dbraw/zinc/21/25/94/654212594.db2.gz SJOJQHAIBDVXHN-QWRGUYRKSA-N 1 0 388.249 2.357 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ncc(I)s1 ZINC000903044408 654213256 /nfs/dbraw/zinc/21/32/56/654213256.db2.gz FDKQNGKTDIXTJC-UHFFFAOYSA-N 1 0 381.283 2.408 20 0 GEADRO C[C@H]1[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC000903049816 654213496 /nfs/dbraw/zinc/21/34/96/654213496.db2.gz IHEXNKATYGZNKH-NWDGAFQWSA-N 1 0 388.452 2.341 20 0 GEADRO NC(=O)[C@](O)(C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)c1ccccc1 ZINC000852023684 654213588 /nfs/dbraw/zinc/21/35/88/654213588.db2.gz OGDOLGQKJFTHLH-AEFFLSMTSA-N 1 0 390.281 2.258 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 ZINC000870954413 654214322 /nfs/dbraw/zinc/21/43/22/654214322.db2.gz AYXNUGTUPSINDX-UHFFFAOYSA-N 1 0 393.962 2.289 20 0 GEADRO CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000870972860 654214733 /nfs/dbraw/zinc/21/47/33/654214733.db2.gz YNQIPVJAAVOYHC-VJUNAUMWSA-N 1 0 394.313 2.273 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903088255 654215830 /nfs/dbraw/zinc/21/58/30/654215830.db2.gz YOVAVNWJMLNDPC-RISCZKNCSA-N 1 0 381.416 2.418 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852067307 654215946 /nfs/dbraw/zinc/21/59/46/654215946.db2.gz XKZMWAWTCOAIGE-JMSVASOKSA-N 1 0 388.295 2.189 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903104337 654216549 /nfs/dbraw/zinc/21/65/49/654216549.db2.gz SONBRCVJTAVRPG-YGRLFVJLSA-N 1 0 377.388 2.098 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000890402326 654218642 /nfs/dbraw/zinc/21/86/42/654218642.db2.gz RACQBJFNFNJGPI-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1cccc(F)c1Br ZINC000890441292 654220467 /nfs/dbraw/zinc/22/04/67/654220467.db2.gz GEGPYWIHTPAIDR-CHWSQXEVSA-N 1 0 384.249 2.222 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000852142963 654220829 /nfs/dbraw/zinc/22/08/29/654220829.db2.gz FWJGZRPQMXTCAG-STQMWFEESA-N 1 0 376.356 2.387 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000831992894 654223075 /nfs/dbraw/zinc/22/30/75/654223075.db2.gz LNJGFSVDZRNOIY-LLVKDONJSA-N 1 0 380.279 2.371 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCn2ncc(Br)c2C1 ZINC000852187900 654224191 /nfs/dbraw/zinc/22/41/91/654224191.db2.gz VQNFLJFHOWUNLF-QWHCGFSZSA-N 1 0 384.322 2.291 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC(=O)O2)C[C@H]1c1ccc(Br)cc1 ZINC000852189974 654224507 /nfs/dbraw/zinc/22/45/07/654224507.db2.gz FOOISJNQEXRUTP-SOUVJXGZSA-N 1 0 382.254 2.343 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000852289047 654230103 /nfs/dbraw/zinc/23/01/03/654230103.db2.gz JXUJLRLDWAYPQU-AWEZNQCLSA-N 1 0 384.322 2.291 20 0 GEADRO CCOC(=O)[C@]1(F)C[N@H+](C[C@@H](O)P(=O)(OCC)OCC)CC12CCC2 ZINC000852317206 654231779 /nfs/dbraw/zinc/23/17/79/654231779.db2.gz LEGZYAZXVRFGRZ-XJKSGUPXSA-N 1 0 381.381 2.328 20 0 GEADRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ncc(Br)cn1 ZINC000903320169 654233831 /nfs/dbraw/zinc/23/38/31/654233831.db2.gz DRFOHHBPYGXAHA-LLVKDONJSA-N 1 0 389.253 2.404 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903318872 654233931 /nfs/dbraw/zinc/23/39/31/654233931.db2.gz RYOZYDKWILRTCZ-GUDXXQAFSA-N 1 0 386.539 2.251 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccc(O)cc1 ZINC000921065704 654234361 /nfs/dbraw/zinc/23/43/61/654234361.db2.gz FWUFYSOVBZEVNZ-AWEZNQCLSA-N 1 0 383.901 2.242 20 0 GEADRO C[C@@H]([NH2+]CCCc1nnnn1C)c1ccc(F)c(I)c1 ZINC000903348556 654234778 /nfs/dbraw/zinc/23/47/78/654234778.db2.gz GEALLLPPLKRLIS-SECBINFHSA-N 1 0 389.216 2.237 20 0 GEADRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000903327309 654234781 /nfs/dbraw/zinc/23/47/81/654234781.db2.gz ZPZUKANYUQYZCB-STQMWFEESA-N 1 0 376.258 2.108 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)CCS(=O)(=O)C1 ZINC000903365406 654235868 /nfs/dbraw/zinc/23/58/68/654235868.db2.gz NAICTXGBSBTUKU-WFASDCNBSA-N 1 0 376.316 2.173 20 0 GEADRO CO[C@@]1(C[NH2+][C@H](C)c2cc(Br)ccc2F)CCS(=O)(=O)C1 ZINC000903366229 654236196 /nfs/dbraw/zinc/23/61/96/654236196.db2.gz CKFSGVLVFIUPJA-QMTHXVAHSA-N 1 0 380.279 2.443 20 0 GEADRO C[C@@H](CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[NH+](C)C ZINC000852372315 654236451 /nfs/dbraw/zinc/23/64/51/654236451.db2.gz YFVKJOAMEGYUPD-UMNHJUIQSA-N 1 0 397.155 2.474 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CCS(=O)(=O)C1 ZINC000903369224 654237077 /nfs/dbraw/zinc/23/70/77/654237077.db2.gz VJNHVJDQPIOSQK-IINYFYTJSA-N 1 0 380.279 2.443 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CCS(=O)(=O)C1 ZINC000903369636 654237153 /nfs/dbraw/zinc/23/71/53/654237153.db2.gz YZNOWLBWCKKAPW-HUUCEWRRSA-N 1 0 392.290 2.369 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1nc(Br)ccc1F ZINC000903397474 654238013 /nfs/dbraw/zinc/23/80/13/654238013.db2.gz FIEMXBYLRSRHHF-VHSXEESVSA-N 1 0 382.237 2.408 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000903427359 654238915 /nfs/dbraw/zinc/23/89/15/654238915.db2.gz XDUMJQOCPYAKBA-QWHCGFSZSA-N 1 0 392.352 2.427 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)CCS2(=O)=O ZINC000903451287 654239494 /nfs/dbraw/zinc/23/94/94/654239494.db2.gz DZSJQMRSPOHZPQ-AJQURBJUSA-N 1 0 386.901 2.285 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)c1sc(C)nc1C)CCS2(=O)=O ZINC000903453364 654239949 /nfs/dbraw/zinc/23/99/49/654239949.db2.gz XWMBXIGITKRTER-MZYOMISDSA-N 1 0 386.539 2.310 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[C@@H]1CCCF)CCS2(=O)=O ZINC000903453467 654240008 /nfs/dbraw/zinc/24/00/08/654240008.db2.gz ZKIHAUKLZNXHGO-HCBPCCMXSA-N 1 0 375.506 2.393 20 0 GEADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000903490694 654240950 /nfs/dbraw/zinc/24/09/50/654240950.db2.gz DLOKCUXBZXQXKL-BFCNOCSMSA-N 1 0 386.279 2.144 20 0 GEADRO C[C@@H](NS(=O)(=O)Cc1cccc(F)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000903513248 654244429 /nfs/dbraw/zinc/24/44/29/654244429.db2.gz ZSIXRVSFMNYTHI-GHMZBOCLSA-N 1 0 379.295 2.396 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903513294 654244669 /nfs/dbraw/zinc/24/46/69/654244669.db2.gz GRPMRMUCDAKHIU-GFCCVEGCSA-N 1 0 377.279 2.244 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1F ZINC000903513259 654244893 /nfs/dbraw/zinc/24/48/93/654244893.db2.gz ZZMOLWZEUHCWEZ-VHSXEESVSA-N 1 0 395.294 2.263 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1F ZINC000903517786 654246459 /nfs/dbraw/zinc/24/64/59/654246459.db2.gz LRBNOFKTLLZFCK-RKDXNWHRSA-N 1 0 381.267 2.145 20 0 GEADRO CC(C)OCCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852533315 654246974 /nfs/dbraw/zinc/24/69/74/654246974.db2.gz XVAWWASZPJHWAL-UHFFFAOYSA-N 1 0 378.258 2.335 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1F ZINC000903518828 654246803 /nfs/dbraw/zinc/24/68/03/654246803.db2.gz SGGJNIHHCSWMKK-DTWKUNHWSA-N 1 0 381.267 2.016 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903518674 654246865 /nfs/dbraw/zinc/24/68/65/654246865.db2.gz ODRHLYJIKABSHM-ZWNOBZJWSA-N 1 0 377.279 2.102 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903518673 654246909 /nfs/dbraw/zinc/24/69/09/654246909.db2.gz ODRHLYJIKABSHM-MFKMUULPSA-N 1 0 377.279 2.102 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903521838 654248231 /nfs/dbraw/zinc/24/82/31/654248231.db2.gz JEUFGEQZKIFZLP-GXFFZTMASA-N 1 0 377.279 2.102 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)Cc1cccc(F)c1Br)C2 ZINC000903522126 654248720 /nfs/dbraw/zinc/24/87/20/654248720.db2.gz LYXLPPIVNYQWQV-WFASDCNBSA-N 1 0 391.306 2.479 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1F ZINC000903522543 654248809 /nfs/dbraw/zinc/24/88/09/654248809.db2.gz RDCZMJPVGFPYIJ-DTWKUNHWSA-N 1 0 381.267 2.003 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000903525686 654250009 /nfs/dbraw/zinc/25/00/09/654250009.db2.gz OWBWETDHAIHKGA-GXTWGEPZSA-N 1 0 377.279 2.292 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)Cc1cccc(F)c1Br ZINC000903527133 654250384 /nfs/dbraw/zinc/25/03/84/654250384.db2.gz VKALEEWDUPAPRW-UHFFFAOYSA-N 1 0 393.200 2.241 20 0 GEADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1ccc(Br)s1 ZINC000871676816 654251364 /nfs/dbraw/zinc/25/13/64/654251364.db2.gz KQUVSPAFNUVAIU-UHFFFAOYSA-N 1 0 394.298 2.390 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])cc1Cl ZINC000903537402 654251481 /nfs/dbraw/zinc/25/14/81/654251481.db2.gz TXCKDVMCSRTGAR-ZBEGNZNMSA-N 1 0 389.880 2.330 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000903542475 654252153 /nfs/dbraw/zinc/25/21/53/654252153.db2.gz IYHZBGWFYTWHRG-UHFFFAOYSA-N 1 0 384.832 2.070 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2S(=O)(=O)c1ccc(F)cc1Br ZINC000903540366 654252245 /nfs/dbraw/zinc/25/22/45/654252245.db2.gz IXVYZFJFYVAEFA-HZMBPMFUSA-N 1 0 377.279 2.480 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000903544544 654252948 /nfs/dbraw/zinc/25/29/48/654252948.db2.gz YJQHYBODFLHLCC-UHFFFAOYSA-N 1 0 386.823 2.487 20 0 GEADRO Cc1c(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000903556287 654255163 /nfs/dbraw/zinc/25/51/63/654255163.db2.gz SXSXFKGAFDYVSU-TZMCWYRMSA-N 1 0 382.917 2.440 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903557150 654255272 /nfs/dbraw/zinc/25/52/72/654255272.db2.gz MCVKTFOSMGDLRM-VXGBXAGGSA-N 1 0 391.331 2.204 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000903567084 654257212 /nfs/dbraw/zinc/25/72/12/654257212.db2.gz WBRWWOQLONHRCM-LBPRGKRZSA-N 1 0 389.905 2.118 20 0 GEADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000832297172 654257610 /nfs/dbraw/zinc/25/76/10/654257610.db2.gz CUASWAYUIFGTKB-UHFFFAOYSA-N 1 0 396.962 2.142 20 0 GEADRO Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903570579 654257824 /nfs/dbraw/zinc/25/78/24/654257824.db2.gz RHHAJJLRQJALKQ-PSASIEDQSA-N 1 0 387.221 2.268 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@H]1C(F)(F)F ZINC000903570688 654257996 /nfs/dbraw/zinc/25/79/96/654257996.db2.gz XRCNIJPAXLICLE-GMSGAONNSA-N 1 0 391.184 2.098 20 0 GEADRO O=S(=O)(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)nc1 ZINC000903573527 654258737 /nfs/dbraw/zinc/25/87/37/654258737.db2.gz JYKUAKHGMCNUAS-YOEHRIQHSA-N 1 0 379.869 2.269 20 0 GEADRO CCOc1cc(-c2noc([C@]3(C)C[NH2+]CCO3)n2)cc(Br)c1O ZINC000871780995 654259116 /nfs/dbraw/zinc/25/91/16/654259116.db2.gz LHGAVJAHQHVDTI-HNNXBMFYSA-N 1 0 384.230 2.438 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000903577262 654260114 /nfs/dbraw/zinc/26/01/14/654260114.db2.gz HXNKTKVTJKUZEH-SCZZXKLOSA-N 1 0 387.221 2.349 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000903577261 654260173 /nfs/dbraw/zinc/26/01/73/654260173.db2.gz HXNKTKVTJKUZEH-PSASIEDQSA-N 1 0 387.221 2.349 20 0 GEADRO CC(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903577987 654260454 /nfs/dbraw/zinc/26/04/54/654260454.db2.gz AHBLXRDLLLFATC-KGLIPLIRSA-N 1 0 378.416 2.426 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000903577976 654260536 /nfs/dbraw/zinc/26/05/36/654260536.db2.gz ABQFKUZSJZYOQY-IONNQARKSA-N 1 0 377.310 2.001 20 0 GEADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852802137 654260666 /nfs/dbraw/zinc/26/06/66/654260666.db2.gz KODFMLUJRUNGDC-NSHDSACASA-N 1 0 387.267 2.274 20 0 GEADRO [NH3+]CCC1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC1 ZINC000871804704 654260741 /nfs/dbraw/zinc/26/07/41/654260741.db2.gz GEIJPNPSNHGMPZ-UHFFFAOYSA-N 1 0 385.917 2.364 20 0 GEADRO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903579137 654261113 /nfs/dbraw/zinc/26/11/13/654261113.db2.gz LWKNBRJJBHXYIR-CHWSQXEVSA-N 1 0 382.452 2.056 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)[C@H]1CCC[NH2+]C1 ZINC000871805216 654261243 /nfs/dbraw/zinc/26/12/43/654261243.db2.gz QPQUGEPTHOOYDJ-AAEUAGOBSA-N 1 0 385.917 2.281 20 0 GEADRO O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000852820839 654261718 /nfs/dbraw/zinc/26/17/18/654261718.db2.gz UKFAEUJMQZDBBP-UHFFFAOYSA-N 1 0 376.400 2.196 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC[C@@H]1C(F)(F)F ZINC000903580908 654261782 /nfs/dbraw/zinc/26/17/82/654261782.db2.gz ZNDYDDWGWIQALB-JQWIXIFHSA-N 1 0 396.818 2.369 20 0 GEADRO O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000852818894 654261859 /nfs/dbraw/zinc/26/18/59/654261859.db2.gz ROUYXSVMUMHQGI-AWEZNQCLSA-N 1 0 388.256 2.047 20 0 GEADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C(F)(F)F)c1 ZINC000871809921 654261949 /nfs/dbraw/zinc/26/19/49/654261949.db2.gz ISISTQOCHYOLRM-CYBMUJFWSA-N 1 0 378.416 2.142 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809503 654262041 /nfs/dbraw/zinc/26/20/41/654262041.db2.gz CIKPSOFPHOZNCD-CYBMUJFWSA-N 1 0 376.881 2.057 20 0 GEADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852828010 654262124 /nfs/dbraw/zinc/26/21/24/654262124.db2.gz SKFIQUWMBMPGKW-RISCZKNCSA-N 1 0 382.258 2.225 20 0 GEADRO O=C(C=C1CC[NH2+]CC1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000852825070 654262159 /nfs/dbraw/zinc/26/21/59/654262159.db2.gz JINVSJFSWFJACT-UHFFFAOYSA-N 1 0 376.258 2.337 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000871810890 654262415 /nfs/dbraw/zinc/26/24/15/654262415.db2.gz KEHQGVPWPOFGCN-KWQFWETISA-N 1 0 392.321 2.343 20 0 GEADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)ccc1Cl ZINC000871811358 654262422 /nfs/dbraw/zinc/26/24/22/654262422.db2.gz VIJHTPVRWBIAEC-GFCCVEGCSA-N 1 0 379.309 2.430 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903583058 654262400 /nfs/dbraw/zinc/26/24/00/654262400.db2.gz BGWVFLYLAFJZKI-LKFCYVNXSA-N 1 0 393.278 2.099 20 0 GEADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000871811973 654262880 /nfs/dbraw/zinc/26/28/80/654262880.db2.gz XPZZMTOYYMJUNW-GFCCVEGCSA-N 1 0 379.309 2.430 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000871811487 654262897 /nfs/dbraw/zinc/26/28/97/654262897.db2.gz PDMLQGBDCUTNNG-GZMMTYOYSA-N 1 0 376.322 2.463 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000871811509 654262906 /nfs/dbraw/zinc/26/29/06/654262906.db2.gz PMGVJXXCUYRDCC-SCZZXKLOSA-N 1 0 376.322 2.463 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871813592 654263968 /nfs/dbraw/zinc/26/39/68/654263968.db2.gz JLKXSDILZQTDSH-WDEREUQCSA-N 1 0 384.807 2.300 20 0 GEADRO Cc1c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c2ccccc2n1C ZINC000871815125 654264403 /nfs/dbraw/zinc/26/44/03/654264403.db2.gz ZJHRCHHUJGJCMR-YPMHNXCESA-N 1 0 375.416 2.244 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000852866679 654264443 /nfs/dbraw/zinc/26/44/43/654264443.db2.gz KKIPYTJVUHLWGT-OAHLLOKOSA-N 1 0 387.933 2.228 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000903589066 654264524 /nfs/dbraw/zinc/26/45/24/654264524.db2.gz MVBZWHQYVSHFNF-AMIZOPFISA-N 1 0 381.242 2.229 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871816405 654264788 /nfs/dbraw/zinc/26/47/88/654264788.db2.gz FFFWCUAJMKLLMJ-SUMWQHHRSA-N 1 0 380.491 2.251 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000903590156 654264883 /nfs/dbraw/zinc/26/48/83/654264883.db2.gz QNGVOMAJONXCPC-UHFFFAOYSA-N 1 0 389.587 2.071 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903590678 654265098 /nfs/dbraw/zinc/26/50/98/654265098.db2.gz YMSILLYQVOXATE-GUYCJALGSA-N 1 0 388.917 2.257 20 0 GEADRO O=S(=O)(N[C@H]1CCCCC12CC[NH2+]CC2)c1ncccc1Br ZINC000871819049 654265639 /nfs/dbraw/zinc/26/56/39/654265639.db2.gz PGQRNFDOSRIBLI-ZDUSSCGKSA-N 1 0 388.331 2.435 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592705 654265650 /nfs/dbraw/zinc/26/56/50/654265650.db2.gz QAELRCAMOBXFRJ-AWEZNQCLSA-N 1 0 393.278 2.113 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903592706 654265712 /nfs/dbraw/zinc/26/57/12/654265712.db2.gz QAELRCAMOBXFRJ-CQSZACIVSA-N 1 0 393.278 2.113 20 0 GEADRO C[C@]12CCN(C(=O)[C@H]([NH3+])C3CCC3)C[C@H]1C2(Br)Br ZINC000852901155 654266331 /nfs/dbraw/zinc/26/63/31/654266331.db2.gz AZKFAJMRNJTEQJ-FOGDFJRCSA-N 1 0 380.124 2.468 20 0 GEADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000921427084 654266363 /nfs/dbraw/zinc/26/63/63/654266363.db2.gz WZOINPRBEFHLJZ-CYBMUJFWSA-N 1 0 384.322 2.358 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000921436703 654267258 /nfs/dbraw/zinc/26/72/58/654267258.db2.gz ZYTKDJHECSCZHC-SMDDNHRTSA-N 1 0 394.317 2.400 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000852907292 654267672 /nfs/dbraw/zinc/26/76/72/654267672.db2.gz IRKUMACGAPOETO-HOTGVXAUSA-N 1 0 383.286 2.118 20 0 GEADRO C[C@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)cc2)C1 ZINC000903618640 654268227 /nfs/dbraw/zinc/26/82/27/654268227.db2.gz NTPXACRPMPPNQE-BSEYFRJRSA-N 1 0 388.559 2.150 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000832496195 654270232 /nfs/dbraw/zinc/27/02/32/654270232.db2.gz PAEZJQUUOQWTDM-HZPDHXFCSA-N 1 0 385.917 2.092 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN(C)C(=O)c2cccs2)(C(F)(F)F)CC1 ZINC000891205393 654272079 /nfs/dbraw/zinc/27/20/79/654272079.db2.gz DFEOLFPVSCBTND-UHFFFAOYSA-N 1 0 377.432 2.353 20 0 GEADRO C[N@@H+]1CC[C@H]1CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000921487773 654273983 /nfs/dbraw/zinc/27/39/83/654273983.db2.gz WREGYMGXOZWTTB-KRWDZBQOSA-N 1 0 395.345 2.417 20 0 GEADRO CCCNC(=O)CN1CCC([NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000921527788 654278616 /nfs/dbraw/zinc/27/86/16/654278616.db2.gz OGBYQSQLOBJOGC-UHFFFAOYSA-N 1 0 389.363 2.294 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCS[C@H](C(F)(F)F)C1 ZINC000921528975 654278675 /nfs/dbraw/zinc/27/86/75/654278675.db2.gz YAWJJZUNMLRIDB-MCIONIFRSA-N 1 0 381.464 2.054 20 0 GEADRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000921542244 654279179 /nfs/dbraw/zinc/27/91/79/654279179.db2.gz ASZQDNMAIJOXIP-HNNXBMFYSA-N 1 0 398.345 2.096 20 0 GEADRO O=C1N(CC[NH2+]C[C@@H](O)c2cccc(Br)c2)C[C@@H]2CCCCN12 ZINC000853118844 654280222 /nfs/dbraw/zinc/28/02/22/654280222.db2.gz RZEGGKMWCIWKNE-JKSUJKDBSA-N 1 0 382.302 2.362 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903716094 654281067 /nfs/dbraw/zinc/28/10/67/654281067.db2.gz QXRQMQBUJWKQNP-NXEZZACHSA-N 1 0 383.823 2.098 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717883 654281095 /nfs/dbraw/zinc/28/10/95/654281095.db2.gz FHKZUVUDLVRCRT-SUMWQHHRSA-N 1 0 382.302 2.088 20 0 GEADRO CCN(Cc1ccccc1Cl)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903720696 654281483 /nfs/dbraw/zinc/28/14/83/654281483.db2.gz GOIMJNYXYJLELU-DGCLKSJQSA-N 1 0 377.794 2.037 20 0 GEADRO CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000903756530 654282490 /nfs/dbraw/zinc/28/24/90/654282490.db2.gz SSJGFWAGSHOWDD-GDBMZVCRSA-N 1 0 384.929 2.259 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCN2CC(=O)Nc1ccccc1I ZINC000903853090 654287329 /nfs/dbraw/zinc/28/73/29/654287329.db2.gz DIUUETGHPFVTHM-NHYWBVRUSA-N 1 0 385.249 2.043 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)Nc1ccc(I)cc1)C2 ZINC000903850501 654287367 /nfs/dbraw/zinc/28/73/67/654287367.db2.gz SHTXESZATRKDJF-SUHUHFCYSA-N 1 0 385.249 2.041 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)Nc1cccc(I)c1)C2 ZINC000903850198 654287627 /nfs/dbraw/zinc/28/76/27/654287627.db2.gz LZVGOVZIJIUQOH-JKOKRWQUSA-N 1 0 385.249 2.041 20 0 GEADRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000832698246 654288175 /nfs/dbraw/zinc/28/81/75/654288175.db2.gz PRAZVVSRZBXCOV-KRWDZBQOSA-N 1 0 380.535 2.432 20 0 GEADRO O=C(COc1ccc(C2SCCCS2)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000853244401 654289011 /nfs/dbraw/zinc/28/90/11/654289011.db2.gz LDZBJYSUXGZATN-UHFFFAOYSA-N 1 0 380.535 2.135 20 0 GEADRO O=C(NCc1cc(Br)cs1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891368857 654289734 /nfs/dbraw/zinc/28/97/34/654289734.db2.gz HZCFWQWGXAAMSO-GFCCVEGCSA-N 1 0 388.331 2.469 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000891393611 654290818 /nfs/dbraw/zinc/29/08/18/654290818.db2.gz AGEZKBYJKWGKCY-GMTAPVOTSA-N 1 0 384.274 2.318 20 0 GEADRO C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000891395735 654291026 /nfs/dbraw/zinc/29/10/26/654291026.db2.gz WHLLCAIUEPRILX-OUAUKWLOSA-N 1 0 384.274 2.412 20 0 GEADRO Brc1ccc2c(c1)N(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CCO2 ZINC000903912547 654292075 /nfs/dbraw/zinc/29/20/75/654292075.db2.gz GSVKGUUAKCYLAY-CYBMUJFWSA-N 1 0 378.274 2.364 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)c1cnn(C(C)(C)C)c1I ZINC000891411791 654292163 /nfs/dbraw/zinc/29/21/63/654292163.db2.gz AFYZQGMILXKXKB-UHFFFAOYSA-N 1 0 392.285 2.313 20 0 GEADRO Brc1cc(C[NH2+]Cc2cnc3n2CCOC3)cc2c1OCCO2 ZINC000921611851 654292848 /nfs/dbraw/zinc/29/28/48/654292848.db2.gz LPWQVLIQUKPAOL-UHFFFAOYSA-N 1 0 380.242 2.237 20 0 GEADRO C[C@@]1(NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC[NH2+]C1 ZINC000853338922 654293193 /nfs/dbraw/zinc/29/31/93/654293193.db2.gz UMFSZKWLFFOMOP-QGZVFWFLSA-N 1 0 376.254 2.409 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891463233 654294508 /nfs/dbraw/zinc/29/45/08/654294508.db2.gz CPKBJCVZZWSMJP-YPMHNXCESA-N 1 0 383.290 2.217 20 0 GEADRO O=C(NCc1ccccc1Br)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891455360 654294551 /nfs/dbraw/zinc/29/45/51/654294551.db2.gz GTERIOUNALOLET-CQSZACIVSA-N 1 0 382.302 2.407 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853401129 654294782 /nfs/dbraw/zinc/29/47/82/654294782.db2.gz HVASJNWCLSIJGS-ZDUSSCGKSA-N 1 0 394.313 2.146 20 0 GEADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C[C@@H]3C[C@@]3(C)Br)CC2)C1 ZINC000891529596 654299268 /nfs/dbraw/zinc/29/92/68/654299268.db2.gz SIOSWHFBEIOQRX-UIBIWLFHSA-N 1 0 386.378 2.282 20 0 GEADRO Cc1nc(CNCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)sc1Br ZINC000921654268 654299395 /nfs/dbraw/zinc/29/93/95/654299395.db2.gz WXFVLGQOYVLJOZ-LBPRGKRZSA-N 1 0 389.363 2.246 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ncc(Br)cn1)c1cccc(F)c1 ZINC000891537009 654299662 /nfs/dbraw/zinc/29/96/62/654299662.db2.gz XLFRPOOKKAWUNG-CQSZACIVSA-N 1 0 396.264 2.480 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(CSc3ccc(Cl)cc3)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904081197 654300770 /nfs/dbraw/zinc/30/07/70/654300770.db2.gz ALCPEOIKOXKBCI-ZLKJLUDKSA-N 1 0 399.925 2.190 20 0 GEADRO C[NH2+]CCOc1cccc(-c2nc(Cn3cc(Br)cn3)no2)c1 ZINC000904096489 654301135 /nfs/dbraw/zinc/30/11/35/654301135.db2.gz JENYJKMDKVWZTN-UHFFFAOYSA-N 1 0 378.230 2.342 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc4sccc4c3)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904093217 654301323 /nfs/dbraw/zinc/30/13/23/654301323.db2.gz OIYIHOQFKNMTMY-GZBFAFLISA-N 1 0 375.475 2.126 20 0 GEADRO [NH3+]C[C@@H]1C[C@@H]1c1nc(-c2cccn3c(I)cnc23)no1 ZINC000904113495 654302555 /nfs/dbraw/zinc/30/25/55/654302555.db2.gz YBSITNAITFXDJJ-CBAPKCEASA-N 1 0 381.177 2.051 20 0 GEADRO O=c1ccn(C[NH+]2CCN([C@@H]3CCOC3)CC2)c2c(Br)cccc12 ZINC000853553006 654303003 /nfs/dbraw/zinc/30/30/03/654303003.db2.gz LONKRVIGAYHCLF-CQSZACIVSA-N 1 0 392.297 2.128 20 0 GEADRO Cn1cc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(Br)n1 ZINC000921678602 654303673 /nfs/dbraw/zinc/30/36/73/654303673.db2.gz MBDWUYNSXZSYEI-LSDHHAIUSA-N 1 0 392.301 2.427 20 0 GEADRO O=c1ccn(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c2c(Br)cccc12 ZINC000853557765 654303765 /nfs/dbraw/zinc/30/37/65/654303765.db2.gz MTBKLCGVKNXPBQ-SWLSCSKDSA-N 1 0 390.281 2.322 20 0 GEADRO O=C(NCC1CN(C[C@H](O)c2ccccc2Br)C1)C(F)(F)F ZINC000871991432 654303952 /nfs/dbraw/zinc/30/39/52/654303952.db2.gz BPQSUTOQHYWYGE-LBPRGKRZSA-N 1 0 381.192 2.093 20 0 GEADRO O=c1ccn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c2c(Br)cccc12 ZINC000853557763 654303927 /nfs/dbraw/zinc/30/39/27/654303927.db2.gz MTBKLCGVKNXPBQ-DOMZBBRYSA-N 1 0 390.281 2.322 20 0 GEADRO CCOC(=O)[C@@H](C)C1C[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000871993349 654304333 /nfs/dbraw/zinc/30/43/33/654304333.db2.gz NGCCIXALSGCYCF-WFASDCNBSA-N 1 0 386.286 2.320 20 0 GEADRO COCCC1(NC(=O)NCCOc2ncc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000891683561 654306332 /nfs/dbraw/zinc/30/63/32/654306332.db2.gz ZSNCNBQZAMQOSU-UHFFFAOYSA-N 1 0 391.299 2.225 20 0 GEADRO C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1nc(-c2ccc(Br)cc2)no1 ZINC000891680206 654306396 /nfs/dbraw/zinc/30/63/96/654306396.db2.gz LFCMLLFHRJGMHW-ICCXJUOJSA-N 1 0 392.257 2.316 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000904320783 654307430 /nfs/dbraw/zinc/30/74/30/654307430.db2.gz PDGZMKDPNQEXET-YDEJPDAXSA-N 1 0 387.221 2.314 20 0 GEADRO Nc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)nn1 ZINC000904337422 654307716 /nfs/dbraw/zinc/30/77/16/654307716.db2.gz YLSXXRALPSYCDD-UHFFFAOYSA-N 1 0 391.273 2.067 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCOC3(CCSCC3)C2)C[C@@H]1C(F)(F)F ZINC000891698196 654307869 /nfs/dbraw/zinc/30/78/69/654307869.db2.gz MMDFOKZWTQFWJU-AGIUHOORSA-N 1 0 381.464 2.210 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H](SC)C2)c1 ZINC000921702793 654308066 /nfs/dbraw/zinc/30/80/66/654308066.db2.gz NNVCFFDUXIOJQV-GUTXKFCHSA-N 1 0 385.555 2.186 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H]2C[NH2+]CC2(C)C)c(Br)cc1F ZINC000904350634 654308197 /nfs/dbraw/zinc/30/81/97/654308197.db2.gz NVZOGCSRUBGTCT-LBPRGKRZSA-N 1 0 388.237 2.494 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CCC[C@]12CC[NH2+]C2 ZINC000904417921 654309802 /nfs/dbraw/zinc/30/98/02/654309802.db2.gz OMFRVDRAHAAZCL-MRXNPFEDSA-N 1 0 391.273 2.390 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NCCC(C)(C)[NH3+])nc12 ZINC000891784360 654311553 /nfs/dbraw/zinc/31/15/53/654311553.db2.gz SMGQWWWKGZUGCD-UHFFFAOYSA-N 1 0 382.306 2.374 20 0 GEADRO COc1cc(CN[C@H]2C[NH2+]CC2(C)C)cc(I)c1OC ZINC000904462144 654311695 /nfs/dbraw/zinc/31/16/95/654311695.db2.gz NRXKRMLDMAHVLO-ZDUSSCGKSA-N 1 0 390.265 2.396 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@]23CC[NH2+]C3)c1Br ZINC000904473946 654311980 /nfs/dbraw/zinc/31/19/80/654311980.db2.gz VXDRVQZYJNRYQC-MRXNPFEDSA-N 1 0 381.274 2.169 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000904483411 654312124 /nfs/dbraw/zinc/31/21/24/654312124.db2.gz JJSKBKOWGLICFY-CQSZACIVSA-N 1 0 394.273 2.087 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000904471783 654312248 /nfs/dbraw/zinc/31/22/48/654312248.db2.gz CGYYKDDAAVEJSE-NSHDSACASA-N 1 0 394.273 2.235 20 0 GEADRO CCCS(=O)(=O)N1CCC(Nc2cc[nH+]c(C)c2Br)CC1 ZINC000891817906 654312829 /nfs/dbraw/zinc/31/28/29/654312829.db2.gz FKJSEFHIHKVSQD-UHFFFAOYSA-N 1 0 376.320 2.191 20 0 GEADRO CS(=O)(=O)NCCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872017914 654313077 /nfs/dbraw/zinc/31/30/77/654313077.db2.gz GYDJNWQDJBUXDP-DZGCQCFKSA-N 1 0 391.331 2.056 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccc(Br)nn2)CC1 ZINC000891830345 654313589 /nfs/dbraw/zinc/31/35/89/654313589.db2.gz GGNFGXDVNJRJRE-UHFFFAOYSA-N 1 0 396.333 2.058 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872072691 654313602 /nfs/dbraw/zinc/31/36/02/654313602.db2.gz IXTODPATJJROTB-UKRRQHHQSA-N 1 0 391.331 2.008 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)cc1 ZINC000872110188 654313913 /nfs/dbraw/zinc/31/39/13/654313913.db2.gz DVWFEAZZDWRATM-VIFPVBQESA-N 1 0 376.347 2.417 20 0 GEADRO Brc1cnn(Cc2noc(-c3ccc4c(c3)OCC[NH2+]C4)n2)c1 ZINC000904615313 654314284 /nfs/dbraw/zinc/31/42/84/654314284.db2.gz BWQBOEWEBCRUNK-UHFFFAOYSA-N 1 0 376.214 2.226 20 0 GEADRO [NH3+]C[C@H]1CN(CC(=O)NCCCSc2ccccc2)C[C@@H]1C(F)(F)F ZINC000872147079 654314428 /nfs/dbraw/zinc/31/44/28/654314428.db2.gz CUXJHTDMBUEVJY-ZFWWWQNUSA-N 1 0 375.460 2.354 20 0 GEADRO CN(CCCCCC[NH3+])CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000872155471 654314788 /nfs/dbraw/zinc/31/47/88/654314788.db2.gz SZCGDUXWTZFGNC-UHFFFAOYSA-N 1 0 375.922 2.133 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N1CC[NH2+]CCC12CCC2 ZINC000891864951 654315710 /nfs/dbraw/zinc/31/57/10/654315710.db2.gz KTEVDGGORJGZAV-UHFFFAOYSA-N 1 0 384.322 2.353 20 0 GEADRO COc1cc(Br)ccc1-c1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1 ZINC000904672734 654315744 /nfs/dbraw/zinc/31/57/44/654315744.db2.gz GDTDLFUYYVFWNE-HWPZZCPQSA-N 1 0 380.242 2.385 20 0 GEADRO [NH3+]C[C@]1(c2nc(-c3csc(I)c3)no2)CCCOC1 ZINC000872179123 654316039 /nfs/dbraw/zinc/31/60/39/654316039.db2.gz BWYTXDUVTRXQBG-GFCCVEGCSA-N 1 0 391.234 2.410 20 0 GEADRO CC(C)N(Cc1cccs1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872187749 654316563 /nfs/dbraw/zinc/31/65/63/654316563.db2.gz ZKUOPNYKUODXIO-AAEUAGOBSA-N 1 0 377.432 2.081 20 0 GEADRO O[C@@H](C[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1)CC1(O)CCOCC1 ZINC000872214953 654317043 /nfs/dbraw/zinc/31/70/43/654317043.db2.gz LAYSJWNUBJNUAR-CZUORRHYSA-N 1 0 378.296 2.299 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000904714609 654317542 /nfs/dbraw/zinc/31/75/42/654317542.db2.gz ZGILLXZZFDMKQN-ZYHUDNBSSA-N 1 0 379.258 2.160 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000872217610 654317541 /nfs/dbraw/zinc/31/75/41/654317541.db2.gz BCINVUIXDPFINP-WFASDCNBSA-N 1 0 375.282 2.056 20 0 GEADRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+]Cc1ccc(Br)cn1 ZINC000872234338 654318323 /nfs/dbraw/zinc/31/83/23/654318323.db2.gz OWWFTYCGCMQHRS-AWEZNQCLSA-N 1 0 397.269 2.391 20 0 GEADRO C[C@](O)(C[NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000834353280 654318632 /nfs/dbraw/zinc/31/86/32/654318632.db2.gz GGIMBKNRSGBUFO-MFKMUULPSA-N 1 0 382.707 2.087 20 0 GEADRO Brc1cccc(-n2ncc3c2ncnc3N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000891928421 654319175 /nfs/dbraw/zinc/31/91/75/654319175.db2.gz ARMPVMRCTVJLIN-TXEJJXNPSA-N 1 0 385.269 2.234 20 0 GEADRO C[C@]1(Br)C[C@H]1C[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000891950345 654319966 /nfs/dbraw/zinc/31/99/66/654319966.db2.gz KWBPFAKSOHELOL-KSSFIOAISA-N 1 0 398.320 2.347 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264276 654320741 /nfs/dbraw/zinc/32/07/41/654320741.db2.gz LRVIXWGYXWFZMY-KGLIPLIRSA-N 1 0 384.263 2.391 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000891967904 654321083 /nfs/dbraw/zinc/32/10/83/654321083.db2.gz JCRNHTXPSKGAMC-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO O=C1CC2(CCOCC2)[N@H+](CCOc2ccc(Br)cc2)CCN1 ZINC000872290672 654321736 /nfs/dbraw/zinc/32/17/36/654321736.db2.gz XYSVPQHGESKWDZ-UHFFFAOYSA-N 1 0 383.286 2.199 20 0 GEADRO CC1(C)CC[NH2+]CCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000872294624 654321875 /nfs/dbraw/zinc/32/18/75/654321875.db2.gz UCGKYQBXVDULEF-UHFFFAOYSA-N 1 0 389.315 2.067 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000891995375 654323112 /nfs/dbraw/zinc/32/31/12/654323112.db2.gz NIGGSQLSSPHZBG-SWLSCSKDSA-N 1 0 390.311 2.374 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000904969819 654325896 /nfs/dbraw/zinc/32/58/96/654325896.db2.gz DCXJDFGJPGJDFD-KBXCAEBGSA-N 1 0 394.313 2.137 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905006113 654326450 /nfs/dbraw/zinc/32/64/50/654326450.db2.gz HXGQMDIRRFIIDY-KBXCAEBGSA-N 1 0 394.313 2.056 20 0 GEADRO Cc1nc(Br)sc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000834449359 654326351 /nfs/dbraw/zinc/32/63/51/654326351.db2.gz ZSUOEQRXIFPMIG-JTQLQIEISA-N 1 0 376.320 2.445 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CC[NH3+])c(Cl)cc1Cl ZINC000834456839 654327034 /nfs/dbraw/zinc/32/70/34/654327034.db2.gz IVSDFVOEMAYXCL-JTQLQIEISA-N 1 0 396.340 2.395 20 0 GEADRO Cc1nc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(Br)n1C ZINC000804950021 654327948 /nfs/dbraw/zinc/32/79/48/654327948.db2.gz LAXDLHDRCAQOEQ-MNOVXSKESA-N 1 0 393.351 2.032 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000834469619 654328015 /nfs/dbraw/zinc/32/80/15/654328015.db2.gz KJYYJRQOKUSWTN-GFCCVEGCSA-N 1 0 389.315 2.067 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892091480 654327974 /nfs/dbraw/zinc/32/79/74/654327974.db2.gz LGFGSFWFMMJQMK-MLGOLLRUSA-N 1 0 392.301 2.432 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CCC1)C1(O)CCOCC1 ZINC000905063105 654328660 /nfs/dbraw/zinc/32/86/60/654328660.db2.gz SFIGERITSYLJGP-MRXNPFEDSA-N 1 0 384.314 2.363 20 0 GEADRO C[C@@H]1c2sccc2CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000892108048 654328772 /nfs/dbraw/zinc/32/87/72/654328772.db2.gz PDGNNKOEKDBYDU-YPMHNXCESA-N 1 0 376.448 2.213 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2cccc(Br)c2)CCC1)C1(O)CCOCC1 ZINC000905063292 654329050 /nfs/dbraw/zinc/32/90/50/654329050.db2.gz XSHNCEZBBZFEKK-INIZCTEOSA-N 1 0 384.314 2.363 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1(O)CCOCC1 ZINC000905079228 654329423 /nfs/dbraw/zinc/32/94/23/654329423.db2.gz ITWIWVNCUAJZAQ-CYBMUJFWSA-N 1 0 396.228 2.043 20 0 GEADRO Cc1cc(Br)c2c(c1)CCN(C(=O)NC[C@H]1C[NH2+]CCCO1)C2 ZINC000892168967 654332422 /nfs/dbraw/zinc/33/24/22/654332422.db2.gz KXRBTQXXXICNKR-CQSZACIVSA-N 1 0 382.302 2.204 20 0 GEADRO Cn1nc2c(c1C[NH2+]C[C@H](O)COc1ccccc1Br)CCC2 ZINC000921856666 654332466 /nfs/dbraw/zinc/33/24/66/654332466.db2.gz NJRXLUBRSIBQKP-LBPRGKRZSA-N 1 0 380.286 2.201 20 0 GEADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCc3ncc(Cl)s3)cc21 ZINC000834543555 654332960 /nfs/dbraw/zinc/33/29/60/654332960.db2.gz RKCDZWOQDDQRPO-UHFFFAOYSA-N 1 0 379.873 2.343 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834541365 654332994 /nfs/dbraw/zinc/33/29/94/654332994.db2.gz VBAPOFYQEPBSPR-UONOGXRCSA-N 1 0 377.551 2.082 20 0 GEADRO O[C@H](C[NH2+]CCCc1ccc(Br)cc1F)C1(O)CCOCC1 ZINC000905120376 654332971 /nfs/dbraw/zinc/33/29/71/654332971.db2.gz XGBKAUIWKYPYHF-OAHLLOKOSA-N 1 0 376.266 2.013 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000834546825 654333334 /nfs/dbraw/zinc/33/33/34/654333334.db2.gz UWBFUHSQEHZVEB-SMDDNHRTSA-N 1 0 378.523 2.043 20 0 GEADRO O[C@H](C[NH2+]CCc1cc(Cl)ccc1Br)C1(O)CCOCC1 ZINC000905173199 654335979 /nfs/dbraw/zinc/33/59/79/654335979.db2.gz AYPNRZKUEICOQO-CQSZACIVSA-N 1 0 378.694 2.137 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1 ZINC000872440005 654336209 /nfs/dbraw/zinc/33/62/09/654336209.db2.gz WSVYDLBPAVWFPX-QHCPKHFHSA-N 1 0 375.560 2.369 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872440021 654336486 /nfs/dbraw/zinc/33/64/86/654336486.db2.gz WZJMBSQGALIDCE-RQHSMIJDSA-N 1 0 379.592 2.465 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000834592731 654337117 /nfs/dbraw/zinc/33/71/17/654337117.db2.gz BIELXNMTHLDCTE-NWDGAFQWSA-N 1 0 378.523 2.314 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905190640 654337280 /nfs/dbraw/zinc/33/72/80/654337280.db2.gz XQEDMAKHOQLJHX-DIOULYMOSA-N 1 0 376.266 2.011 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)[N@H+](C)C1CC1 ZINC000872446106 654338097 /nfs/dbraw/zinc/33/80/97/654338097.db2.gz VINSUIZVMRHOER-NSHDSACASA-N 1 0 385.917 2.376 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3nc(Br)c[nH]3)cc2)C1 ZINC000921890816 654338346 /nfs/dbraw/zinc/33/83/46/654338346.db2.gz AITBIQNFXQTGTO-CYBMUJFWSA-N 1 0 392.301 2.482 20 0 GEADRO C[NH+]1CCN(c2ccc(-c3noc(C[C@H]4CSCCS4)n3)nc2)CC1 ZINC000854089252 654339859 /nfs/dbraw/zinc/33/98/59/654339859.db2.gz XMFVOXVASVMWDR-AWEZNQCLSA-N 1 0 377.539 2.275 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000892323561 654340122 /nfs/dbraw/zinc/34/01/22/654340122.db2.gz WNYXIYXJPVMPBV-RJQLZAPDSA-N 1 0 376.298 2.481 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000921908805 654340353 /nfs/dbraw/zinc/34/03/53/654340353.db2.gz NTMOUORKLFOBGC-AWEZNQCLSA-N 1 0 378.416 2.237 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892326112 654340550 /nfs/dbraw/zinc/34/05/50/654340550.db2.gz SUIKZRQYXNQAKH-ZDUSSCGKSA-N 1 0 384.318 2.136 20 0 GEADRO CN1CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)CC[N@H+](C)CC1 ZINC000892325872 654340568 /nfs/dbraw/zinc/34/05/68/654340568.db2.gz SQNQSJZVIQWAPC-UHFFFAOYSA-N 1 0 381.933 2.339 20 0 GEADRO CC[C@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC[C@@H]1[NH3+] ZINC000834647829 654340984 /nfs/dbraw/zinc/34/09/84/654340984.db2.gz RGWOVXUWORLCSS-LRDDRELGSA-N 1 0 385.917 2.079 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000892355514 654342246 /nfs/dbraw/zinc/34/22/46/654342246.db2.gz CPZGPOKPILMVNI-CYBMUJFWSA-N 1 0 384.322 2.104 20 0 GEADRO Cn1ncc(-c2noc(-c3cc(C4CC[NH2+]CC4)no3)n2)c1Br ZINC000854151948 654342252 /nfs/dbraw/zinc/34/22/52/654342252.db2.gz PNIBNRAZPLXYSB-UHFFFAOYSA-N 1 0 379.218 2.355 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@@H](O)CC2(O)CCCC2)CCN1c1cccc(Br)c1 ZINC000905236207 654342379 /nfs/dbraw/zinc/34/23/79/654342379.db2.gz DVWURMLSRIJJFB-HOTGVXAUSA-N 1 0 397.313 2.200 20 0 GEADRO NS(=O)(=O)CCCCCCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000834682015 654342516 /nfs/dbraw/zinc/34/25/16/654342516.db2.gz MDXCQCLHAFXDOE-UHFFFAOYSA-N 1 0 381.420 2.342 20 0 GEADRO [NH3+]CCn1cc(-c2nc(C3(c4ccccc4Br)CC3)no2)nn1 ZINC000854156199 654342906 /nfs/dbraw/zinc/34/29/06/654342906.db2.gz ARROTOOUYDRYSJ-UHFFFAOYSA-N 1 0 375.230 2.129 20 0 GEADRO O=C1[C@H]([NH2+]C[C@H](O)CCC2(O)CCC2)CCN1c1cccc(Br)c1 ZINC000905237360 654343088 /nfs/dbraw/zinc/34/30/88/654343088.db2.gz JKNHKKQWJHDJDN-HZPDHXFCSA-N 1 0 397.313 2.200 20 0 GEADRO O[C@H](C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C[C@@]1(O)CCOC1 ZINC000905245528 654344141 /nfs/dbraw/zinc/34/41/41/654344141.db2.gz WIHUAJBRXHAVJX-WSMBLCCSSA-N 1 0 388.277 2.326 20 0 GEADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000872463008 654344547 /nfs/dbraw/zinc/34/45/47/654344547.db2.gz GYHZAFGZMXHYTM-CYULLINESA-N 1 0 377.576 2.076 20 0 GEADRO [NH3+]CCN(CCc1ccccc1)C(=O)c1cccnc1I ZINC000834751240 654346471 /nfs/dbraw/zinc/34/64/71/654346471.db2.gz QERYFTDYRJGVKR-UHFFFAOYSA-N 1 0 395.244 2.330 20 0 GEADRO C[C@@](O)(C[NH2+]CCn1cc(Br)ccc1=O)C(F)(F)C(F)(F)F ZINC000905272637 654346733 /nfs/dbraw/zinc/34/67/33/654346733.db2.gz HVPGRCOMNOVRRA-SNVBAGLBSA-N 1 0 393.150 2.149 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc(Br)n1 ZINC000872470575 654347724 /nfs/dbraw/zinc/34/77/24/654347724.db2.gz JVGITBBJRFDDSC-LLVKDONJSA-N 1 0 376.320 2.195 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@@H]2CC23CCSCC3)CCC1 ZINC000905288630 654348123 /nfs/dbraw/zinc/34/81/23/654348123.db2.gz NJPGNXMFYDWVAB-LSDHHAIUSA-N 1 0 390.615 2.111 20 0 GEADRO O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1nc(C2CC2)ncc1Br ZINC000905289506 654348194 /nfs/dbraw/zinc/34/81/94/654348194.db2.gz UEVBJOSRRYTWLK-GFCCVEGCSA-N 1 0 395.301 2.005 20 0 GEADRO O[C@H](C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)C1(O)CCC1 ZINC000905292852 654348726 /nfs/dbraw/zinc/34/87/26/654348726.db2.gz SARAGNCZRAAGTR-QGZVFWFLSA-N 1 0 383.330 2.279 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C)nc1I ZINC000905313861 654349923 /nfs/dbraw/zinc/34/99/23/654349923.db2.gz BZOYRHSYGOQRSN-NSHDSACASA-N 1 0 390.269 2.019 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)C1 ZINC000892566926 654351675 /nfs/dbraw/zinc/35/16/75/654351675.db2.gz OIHNLIPKCLUPCY-JOCQHMNTSA-N 1 0 396.289 2.188 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344728 654352129 /nfs/dbraw/zinc/35/21/29/654352129.db2.gz YFYVWNDWLHLJOI-NSHDSACASA-N 1 0 393.322 2.438 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344727 654352308 /nfs/dbraw/zinc/35/23/08/654352308.db2.gz YFYVWNDWLHLJOI-LLVKDONJSA-N 1 0 393.322 2.438 20 0 GEADRO CN1CCN(C(=O)c2ccc(C[NH2+]C[C@@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000892582808 654352788 /nfs/dbraw/zinc/35/27/88/654352788.db2.gz MXCACPZZJCGUHW-FUHWJXTLSA-N 1 0 380.330 2.337 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C2(C)C)c1F ZINC000905358072 654352892 /nfs/dbraw/zinc/35/28/92/654352892.db2.gz MYOPSYRWENPWBW-SNVBAGLBSA-N 1 0 381.267 2.016 20 0 GEADRO CCn1c(Br)c(Br)nc1C[NH2+]CCc1ccnn1C ZINC000921998005 654353038 /nfs/dbraw/zinc/35/30/38/654353038.db2.gz CQFQAWBFSWMJLI-UHFFFAOYSA-N 1 0 391.111 2.494 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCc2ccc(F)c(Br)c2C1 ZINC000905362364 654353307 /nfs/dbraw/zinc/35/33/07/654353307.db2.gz RLBRQFVHYGSYLB-UHFFFAOYSA-N 1 0 391.306 2.276 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000905360591 654353397 /nfs/dbraw/zinc/35/33/97/654353397.db2.gz VVPXXQHCRCRBLT-OWCLPIDISA-N 1 0 385.327 2.006 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCc1cc(F)c(Br)cc1F ZINC000905362392 654353451 /nfs/dbraw/zinc/35/34/51/654353451.db2.gz SMDVXQZEERQLOP-UHFFFAOYSA-N 1 0 383.258 2.146 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)Cc1ccc(Br)cc1 ZINC000905366498 654353692 /nfs/dbraw/zinc/35/36/92/654353692.db2.gz OLCCHSWGLMAWBG-WBVHZDCISA-N 1 0 386.330 2.246 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)CC1(O)CCCC1)Cc1cccc(Br)c1 ZINC000905365298 654353835 /nfs/dbraw/zinc/35/38/35/654353835.db2.gz IUEMJPOMLKSQLG-NVXWUHKLSA-N 1 0 386.330 2.246 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)NCc2ccc(Br)cn2)CC1 ZINC000892616946 654353811 /nfs/dbraw/zinc/35/38/11/654353811.db2.gz QLYOGZKBVYTTEH-HOTGVXAUSA-N 1 0 397.317 2.272 20 0 GEADRO O[C@@H](CCC1(O)CCC1)C[NH2+]CCc1ccc(I)cc1 ZINC000905381584 654354532 /nfs/dbraw/zinc/35/45/32/654354532.db2.gz NZLXJWBTEUNOLO-HNNXBMFYSA-N 1 0 389.277 2.479 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000892634255 654354675 /nfs/dbraw/zinc/35/46/75/654354675.db2.gz QBMFYAOBYTXBQY-LBPRGKRZSA-N 1 0 383.290 2.338 20 0 GEADRO Cc1ccc(/C=C\C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000854353829 654354794 /nfs/dbraw/zinc/35/47/94/654354794.db2.gz HAKYQOWIDUIORP-KJPDOMRESA-N 1 0 378.314 2.277 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905384526 654354848 /nfs/dbraw/zinc/35/48/48/654354848.db2.gz LRXNTPJECNIFHO-HOTGVXAUSA-N 1 0 381.270 2.427 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC[C@H]2CC2(Cl)Cl)CCC1 ZINC000905386270 654354982 /nfs/dbraw/zinc/35/49/82/654354982.db2.gz OZJJDHRBZTVPNO-RYUDHWBXSA-N 1 0 387.373 2.161 20 0 GEADRO O=C(NCc1cnc(Br)s1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000854356606 654355837 /nfs/dbraw/zinc/35/58/37/654355837.db2.gz RGFFXZYCSIYJFG-MRXNPFEDSA-N 1 0 396.310 2.159 20 0 GEADRO OC[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)Cc1ccoc1 ZINC000905418905 654356226 /nfs/dbraw/zinc/35/62/26/654356226.db2.gz MYZHBYCHPQILHD-HOCLYGCPSA-N 1 0 384.270 2.223 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC[C@@H]2CCCC2(F)F)CCC1 ZINC000905424139 654356313 /nfs/dbraw/zinc/35/63/13/654356313.db2.gz YLUCVMGSRZJYSK-KBPBESRZSA-N 1 0 382.517 2.403 20 0 GEADRO CCC(F)(F)C(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000854395193 654357789 /nfs/dbraw/zinc/35/77/89/654357789.db2.gz ZQYYBRPXYYRJOU-UHFFFAOYSA-N 1 0 377.457 2.291 20 0 GEADRO C[C@](O)(C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)c1ccc(Br)cc1F ZINC000905465302 654359117 /nfs/dbraw/zinc/35/91/17/654359117.db2.gz KDQKUJBSLXIALV-KSYCFECVSA-N 1 0 376.266 2.050 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)C[C@@]1(O)CCOC1 ZINC000905464594 654359143 /nfs/dbraw/zinc/35/91/43/654359143.db2.gz ISCJTGPKKVPMSY-OCCSQVGLSA-N 1 0 398.219 2.460 20 0 GEADRO Cc1cncc(Br)c1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000892698278 654360041 /nfs/dbraw/zinc/36/00/41/654360041.db2.gz ANITXSQKCCWUMG-UHFFFAOYSA-N 1 0 379.258 2.162 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000905477602 654360147 /nfs/dbraw/zinc/36/01/47/654360147.db2.gz DMLKNKXSJVNKHN-SUMWQHHRSA-N 1 0 398.301 2.137 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000892759516 654362534 /nfs/dbraw/zinc/36/25/34/654362534.db2.gz PEOQYJVQBUQFIJ-AEFFLSMTSA-N 1 0 394.313 2.227 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CCC1 ZINC000905519825 654362759 /nfs/dbraw/zinc/36/27/59/654362759.db2.gz HITKYCHSQQDGGS-HNNXBMFYSA-N 1 0 376.469 2.228 20 0 GEADRO C[NH+](C)C[C@H](CO)NC(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC000854466243 654362867 /nfs/dbraw/zinc/36/28/67/654362867.db2.gz ZGMXCLMJBDVWDA-GFCCVEGCSA-N 1 0 397.235 2.439 20 0 GEADRO CN(C)c1ccnc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000905526182 654363560 /nfs/dbraw/zinc/36/35/60/654363560.db2.gz UCJVTAKEHDPCTH-INIZCTEOSA-N 1 0 380.286 2.440 20 0 GEADRO CN(C)c1cc[nH+]c(CNCCS(=O)(=O)c2cccc(Br)c2)c1 ZINC000905524421 654363569 /nfs/dbraw/zinc/36/35/69/654363569.db2.gz HHJNJLFQYUJPMN-UHFFFAOYSA-N 1 0 398.326 2.474 20 0 GEADRO S=C(Nc1ccccc1Cl)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905555431 654366048 /nfs/dbraw/zinc/36/60/48/654366048.db2.gz JJJMFLPZZJASKY-OAHLLOKOSA-N 1 0 382.961 2.423 20 0 GEADRO CC(C)O[C@]1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCOC1 ZINC000905557951 654366348 /nfs/dbraw/zinc/36/63/48/654366348.db2.gz RNGBPWWZKBISOW-RDJZCZTQSA-N 1 0 388.302 2.363 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)CS(C)(=O)=O ZINC000905578657 654367016 /nfs/dbraw/zinc/36/70/16/654367016.db2.gz JTEWCEYQBCUJNG-NSHDSACASA-N 1 0 384.325 2.394 20 0 GEADRO CCO[C@H](CNC[C@@](C)(O)c1ccc(Br)cc1F)C[NH+](C)C ZINC000905580331 654367458 /nfs/dbraw/zinc/36/74/58/654367458.db2.gz OHIAFXAYLHEJKW-CZUORRHYSA-N 1 0 377.298 2.352 20 0 GEADRO Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)sc1Br ZINC000922106335 654367747 /nfs/dbraw/zinc/36/77/47/654367747.db2.gz NQMDJFOZMFGCDG-NXEZZACHSA-N 1 0 382.349 2.022 20 0 GEADRO C[C@@H](C[NH2+]C[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000905585126 654367894 /nfs/dbraw/zinc/36/78/94/654367894.db2.gz DAZJKRJKRWRSHT-SMDDNHRTSA-N 1 0 388.452 2.341 20 0 GEADRO C[NH+](C)CCNC(=S)NNc1cccc(OC(F)F)c1Br ZINC000905593966 654368548 /nfs/dbraw/zinc/36/85/48/654368548.db2.gz CHLPLHSQUGSZAG-UHFFFAOYSA-N 1 0 383.262 2.403 20 0 GEADRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000922112005 654368697 /nfs/dbraw/zinc/36/86/97/654368697.db2.gz ZFSPFOAXIHTKHS-AWEZNQCLSA-N 1 0 377.286 2.496 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H](CCO)c1ccc(Cl)cc1)C2 ZINC000892879206 654368873 /nfs/dbraw/zinc/36/88/73/654368873.db2.gz LSUOFMRSJFSRDY-ZDUSSCGKSA-N 1 0 380.901 2.447 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC2(c3ncc(Br)cn3)CCC2)CCC1 ZINC000922116976 654369109 /nfs/dbraw/zinc/36/91/09/654369109.db2.gz FASBEDXCOUPUAH-UHFFFAOYSA-N 1 0 382.306 2.402 20 0 GEADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2nc(Br)c[nH]2)s1 ZINC000922128813 654370169 /nfs/dbraw/zinc/37/01/69/654370169.db2.gz ZHQAJUKQSHJVKB-SFYZADRCSA-N 1 0 387.307 2.339 20 0 GEADRO CCO[C@@H]1CN(C(=O)NCCc2sccc2Br)C[C@H]1C[NH3+] ZINC000892939127 654371252 /nfs/dbraw/zinc/37/12/52/654371252.db2.gz HNNZCYXJRJUGLF-ZYHUDNBSSA-N 1 0 376.320 2.058 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000892948145 654371536 /nfs/dbraw/zinc/37/15/36/654371536.db2.gz WFPBLSXMPBLAJE-GHMZBOCLSA-N 1 0 393.269 2.311 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cn(C(C)(C)C)nc1Br ZINC000854642347 654372385 /nfs/dbraw/zinc/37/23/85/654372385.db2.gz KPEDJHLFPNHQKA-KBPBESRZSA-N 1 0 399.333 2.336 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1nnn(-c2ccccc2Br)c1C ZINC000922166341 654373137 /nfs/dbraw/zinc/37/31/37/654373137.db2.gz OAVFTGPSBLTUKT-LBPRGKRZSA-N 1 0 378.274 2.162 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC[C@H]2CCC(F)(F)C2)CCC1 ZINC000905675362 654373706 /nfs/dbraw/zinc/37/37/06/654373706.db2.gz OJLRXGUGLCBAPQ-KGLIPLIRSA-N 1 0 382.517 2.403 20 0 GEADRO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000905696999 654375473 /nfs/dbraw/zinc/37/54/73/654375473.db2.gz SVMUVNBHVVNBJT-GDBMZVCRSA-N 1 0 395.297 2.417 20 0 GEADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000922216839 654376203 /nfs/dbraw/zinc/37/62/03/654376203.db2.gz YBCVPMJZZBNFJW-JTQLQIEISA-N 1 0 390.278 2.193 20 0 GEADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1nc2ncc(Br)cn2n1 ZINC000893021837 654376300 /nfs/dbraw/zinc/37/63/00/654376300.db2.gz CAEJEUFAJHCPQX-DGCLKSJQSA-N 1 0 395.305 2.222 20 0 GEADRO C[C@@]12CN(S(=O)(=O)c3c[nH]nc3Cl)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000872597654 654377764 /nfs/dbraw/zinc/37/77/64/654377764.db2.gz KFIFSGUDGFRTTH-WMLDXEAASA-N 1 0 380.901 2.206 20 0 GEADRO O=C(OCCc1cnc2c(Br)cnn2c1)C12CCC[NH+](CCC1)C2 ZINC000893045448 654377768 /nfs/dbraw/zinc/37/77/68/654377768.db2.gz XJDAFWWGIDYQMP-UHFFFAOYSA-N 1 0 393.285 2.454 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC(C[NH+](C)C)C2)ccc1Cl ZINC000854723915 654379090 /nfs/dbraw/zinc/37/90/90/654379090.db2.gz JITZLMYWFOWYJK-UHFFFAOYSA-N 1 0 387.933 2.004 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)NCc2nc(-c3cccc(Br)c3)no2)CC[N@@H+]1C ZINC000922258435 654379546 /nfs/dbraw/zinc/37/95/46/654379546.db2.gz GIENDXGXQWSFHE-MFKMUULPSA-N 1 0 394.273 2.391 20 0 GEADRO Cc1nc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)sc1Br ZINC000922283985 654381369 /nfs/dbraw/zinc/38/13/69/654381369.db2.gz KVSAYWBYDQQDQK-SNVBAGLBSA-N 1 0 394.302 2.020 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C[C@@H]1C(F)(F)F ZINC000893101023 654382048 /nfs/dbraw/zinc/38/20/48/654382048.db2.gz FCJMMJKRSHAIFV-UPJWGTAASA-N 1 0 385.448 2.311 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnc2n1CCOC2 ZINC000922302809 654382241 /nfs/dbraw/zinc/38/22/41/654382241.db2.gz FTQUFICDNJNICW-QGZVFWFLSA-N 1 0 380.286 2.259 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000835348212 654382324 /nfs/dbraw/zinc/38/23/24/654382324.db2.gz LDYROHJAYKLUTH-CHWSQXEVSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+][C@@H](C(N)=O)c3cccc(Br)c3)O2)CO1 ZINC000905841158 654384098 /nfs/dbraw/zinc/38/40/98/654384098.db2.gz YSEXIIVZPCQPRX-BNGXUDDSSA-N 1 0 383.286 2.292 20 0 GEADRO O=C(/C=C/c1ccc(Cl)s1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922346616 654384886 /nfs/dbraw/zinc/38/48/86/654384886.db2.gz KKOAXGDJEOQRGX-CSPWOOARSA-N 1 0 383.945 2.328 20 0 GEADRO COCCOC[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000893142006 654385060 /nfs/dbraw/zinc/38/50/60/654385060.db2.gz LHNLTEWEXNNCST-CQSZACIVSA-N 1 0 387.318 2.427 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000893138885 654385085 /nfs/dbraw/zinc/38/50/85/654385085.db2.gz KYTMHJIRASTMES-AEGPPILISA-N 1 0 379.444 2.269 20 0 GEADRO NC(=O)[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1cccc(Br)c1 ZINC000905852463 654385105 /nfs/dbraw/zinc/38/51/05/654385105.db2.gz DYWNKVFNKUSFGE-RBSFLKMASA-N 1 0 384.343 2.145 20 0 GEADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000905854095 654385126 /nfs/dbraw/zinc/38/51/26/654385126.db2.gz CIIFQAYISFEIAY-ZWNOBZJWSA-N 1 0 384.274 2.485 20 0 GEADRO C[C@]1(Br)C[C@@H]1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000893155764 654386178 /nfs/dbraw/zinc/38/61/78/654386178.db2.gz MFKSBPQSLAXTEK-SCZZXKLOSA-N 1 0 379.242 2.064 20 0 GEADRO COC(=O)c1cn([C@H]2CCCN(c3cc[nH+]c(C)c3Br)C2)nn1 ZINC000893186873 654387804 /nfs/dbraw/zinc/38/78/04/654387804.db2.gz HUYUNOCEDGSNOW-NSHDSACASA-N 1 0 380.246 2.372 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(F)cc1Br ZINC000872666661 654388209 /nfs/dbraw/zinc/38/82/09/654388209.db2.gz XVZZJRQRYRBTTO-STQMWFEESA-N 1 0 377.279 2.445 20 0 GEADRO O[C@H](C[NH2+]C[C@H](O)CC1(O)CCCC1)COc1cccc(Cl)c1Cl ZINC000905917996 654390618 /nfs/dbraw/zinc/39/06/18/654390618.db2.gz FREWLJGHSVIHBO-CHWSQXEVSA-N 1 0 378.296 2.379 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)c1csc(I)n1 ZINC000855034160 654394447 /nfs/dbraw/zinc/39/44/47/654394447.db2.gz UUEFMAQSPGAIHT-UHFFFAOYSA-N 1 0 379.267 2.306 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1csc(I)n1 ZINC000855056510 654395124 /nfs/dbraw/zinc/39/51/24/654395124.db2.gz OJBMYHYQGNBAQK-ONGXEEELSA-N 1 0 391.278 2.494 20 0 GEADRO C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000893380533 654399123 /nfs/dbraw/zinc/39/91/23/654399123.db2.gz RXYZOBJEWXXLDA-CMPLNLGQSA-N 1 0 399.314 2.147 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000855200465 654399771 /nfs/dbraw/zinc/39/97/71/654399771.db2.gz BUYNZEWGBRKDJU-UHFFFAOYSA-N 1 0 399.333 2.112 20 0 GEADRO CSC1(CNC(=O)NC[C@H]2CCCN2CC(F)(F)F)CC[NH+](C)CC1 ZINC000922529716 654400140 /nfs/dbraw/zinc/40/01/40/654400140.db2.gz HVCPTZHTMAEFOV-CYBMUJFWSA-N 1 0 382.496 2.140 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)cc(I)c1OC ZINC000922557897 654401310 /nfs/dbraw/zinc/40/13/10/654401310.db2.gz VFWQLCRMZJUVJN-ZWNOBZJWSA-N 1 0 390.265 2.491 20 0 GEADRO CC[C@@H](C[NH2+]Cc1c(I)cnn1C)C(=O)OC(C)(C)C ZINC000922601013 654402670 /nfs/dbraw/zinc/40/26/70/654402670.db2.gz ZTSMLHBZRAPLEW-JTQLQIEISA-N 1 0 393.269 2.482 20 0 GEADRO CO[C@]1(C[NH2+]C/C(C)=C/c2ccccc2OC(F)F)CCS(=O)(=O)C1 ZINC000922617259 654403792 /nfs/dbraw/zinc/40/37/92/654403792.db2.gz HXINROXNCYZEIW-VEMDQMBVSA-N 1 0 375.437 2.485 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000855266916 654403961 /nfs/dbraw/zinc/40/39/61/654403961.db2.gz LEOSYPXJGDRGCL-SGANQWHYSA-N 1 0 376.444 2.293 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000855273809 654407198 /nfs/dbraw/zinc/40/71/98/654407198.db2.gz FOKHQBOVSZKEIO-VWLOTQADSA-N 1 0 376.444 2.326 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000855274530 654407657 /nfs/dbraw/zinc/40/76/57/654407657.db2.gz LQCWVDJRTNZYDD-SGANQWHYSA-N 1 0 376.444 2.326 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000893543135 654407659 /nfs/dbraw/zinc/40/76/59/654407659.db2.gz QXFAMBNAHIBNMW-UHFFFAOYSA-N 1 0 389.315 2.251 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2ccc(Br)cc2F)cn1 ZINC000893552322 654408135 /nfs/dbraw/zinc/40/81/35/654408135.db2.gz BOTJRRVIUYYTJT-UHFFFAOYSA-N 1 0 398.280 2.075 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1Cl ZINC000922709387 654408746 /nfs/dbraw/zinc/40/87/46/654408746.db2.gz MHICSZMUTLAEMK-LLVKDONJSA-N 1 0 385.839 2.104 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)n1 ZINC000922709515 654408752 /nfs/dbraw/zinc/40/87/52/654408752.db2.gz BMKPIPGTXBBKBQ-AWEZNQCLSA-N 1 0 395.305 2.070 20 0 GEADRO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCCC2SCCS2)CC1 ZINC000872997903 654409516 /nfs/dbraw/zinc/40/95/16/654409516.db2.gz MFEVJAKVWDOSSR-UHFFFAOYSA-N 1 0 385.599 2.166 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2csc(I)n2)C1 ZINC000855286678 654410034 /nfs/dbraw/zinc/41/00/34/654410034.db2.gz VIBBEUPTVIPVPX-QMMMGPOBSA-N 1 0 379.267 2.350 20 0 GEADRO Brc1ccc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(N2CCOCC2)c1 ZINC000922727353 654410264 /nfs/dbraw/zinc/41/02/64/654410264.db2.gz UJQCBKLNCWBULC-HFTRVMKXSA-N 1 0 397.313 2.179 20 0 GEADRO O[C@@H](C[NH2+]Cc1cccc(F)c1I)COCC1CC1 ZINC000873030116 654411144 /nfs/dbraw/zinc/41/11/44/654411144.db2.gz BMOJVTARWJZTKR-LBPRGKRZSA-N 1 0 379.213 2.307 20 0 GEADRO O=C1C[C@H](CC[NH2+]Cc2c(Br)cncc2Br)CN1 ZINC000922779613 654412875 /nfs/dbraw/zinc/41/28/75/654412875.db2.gz XXLJMCWMWIIJPJ-QMMMGPOBSA-N 1 0 377.080 2.222 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]Cc2cccc(F)c2I)CC1 ZINC000873071738 654412794 /nfs/dbraw/zinc/41/27/94/654412794.db2.gz OWEIMHNVINRSAC-UHFFFAOYSA-N 1 0 397.253 2.345 20 0 GEADRO Cn1cc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c(Br)n1 ZINC000922800948 654413984 /nfs/dbraw/zinc/41/39/84/654413984.db2.gz AROSEZLWTCAPLA-UHFFFAOYSA-N 1 0 389.095 2.421 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1I ZINC000873100116 654414940 /nfs/dbraw/zinc/41/49/40/654414940.db2.gz XHZULWSROXKHQB-PWSUYJOCSA-N 1 0 376.213 2.435 20 0 GEADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000873101053 654415344 /nfs/dbraw/zinc/41/53/44/654415344.db2.gz MSQHRTSWYGZKRA-GFCCVEGCSA-N 1 0 386.279 2.207 20 0 GEADRO CSc1c(F)cccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873106189 654415664 /nfs/dbraw/zinc/41/56/64/654415664.db2.gz FXBZJEQBGHQCBK-RKDXNWHRSA-N 1 0 379.379 2.082 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C2 ZINC000873109039 654415999 /nfs/dbraw/zinc/41/59/99/654415999.db2.gz BZOOJCGAHYBIJA-BJOHPYRUSA-N 1 0 386.677 2.109 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C2 ZINC000873108900 654416029 /nfs/dbraw/zinc/41/60/29/654416029.db2.gz WEMPDKKEPGUHCN-BJOHPYRUSA-N 1 0 386.677 2.109 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1nscc1I ZINC000906103059 654416589 /nfs/dbraw/zinc/41/65/89/654416589.db2.gz GONPIZTUOJIRES-SECBINFHSA-N 1 0 379.267 2.352 20 0 GEADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922850305 654416840 /nfs/dbraw/zinc/41/68/40/654416840.db2.gz VVRBCHXPJHJUFE-AGUYFDCRSA-N 1 0 380.901 2.427 20 0 GEADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922863090 654417690 /nfs/dbraw/zinc/41/76/90/654417690.db2.gz XUXZTIQDTXEGSL-UHFFFAOYSA-N 1 0 397.317 2.423 20 0 GEADRO Cn1c2ccccc2c(Br)c1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000873134369 654417916 /nfs/dbraw/zinc/41/79/16/654417916.db2.gz QGQKEJMRTWGGNL-LLVKDONJSA-N 1 0 386.315 2.064 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000855415185 654418092 /nfs/dbraw/zinc/41/80/92/654418092.db2.gz TUQIVWMGPWFEBR-UHFFFAOYSA-N 1 0 393.276 2.139 20 0 GEADRO CCN1C[C@@H](C[NH2+]Cc2cccc(F)c2I)CC1=O ZINC000873132923 654418118 /nfs/dbraw/zinc/41/81/18/654418118.db2.gz KPRRGWOHVXKOCA-SNVBAGLBSA-N 1 0 376.213 2.388 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922889498 654418513 /nfs/dbraw/zinc/41/85/13/654418513.db2.gz WVFACMORXFDWIC-UHFFFAOYSA-N 1 0 398.301 2.231 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873157412 654419168 /nfs/dbraw/zinc/41/91/68/654419168.db2.gz YETHJTUKKUCEPZ-FQLMCAECSA-N 1 0 387.933 2.252 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCOC(F)(F)C(F)(F)F)cc1Cl ZINC000873158118 654419279 /nfs/dbraw/zinc/41/92/79/654419279.db2.gz CXDUYAPLTMYBER-UHFFFAOYSA-N 1 0 382.738 2.249 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906174106 654419885 /nfs/dbraw/zinc/41/98/85/654419885.db2.gz XHQQMAWTSJGLLQ-LBPRGKRZSA-N 1 0 382.302 2.407 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ncc(Br)cn2)C1 ZINC000893771239 654420860 /nfs/dbraw/zinc/42/08/60/654420860.db2.gz UGHDBOZLAFUUMJ-CYBMUJFWSA-N 1 0 384.322 2.406 20 0 GEADRO Brc1ccc(C[NH2+]CCO[C@H]2CCOC2)c(N2CCOCC2)c1 ZINC000922941014 654421331 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Cn1ncc(I)c1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000873277942 654423552 /nfs/dbraw/zinc/42/35/52/654423552.db2.gz XTIWMWRGJSLJKJ-FPMFFAJLSA-N 1 0 388.297 2.425 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c1Br ZINC000873323153 654424830 /nfs/dbraw/zinc/42/48/30/654424830.db2.gz FLCSREKOAZGITQ-WBMJQRKESA-N 1 0 381.274 2.215 20 0 GEADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)C12CCOCC2 ZINC000923033760 654425487 /nfs/dbraw/zinc/42/54/87/654425487.db2.gz BLNZATVSLFTJGU-UONOGXRCSA-N 1 0 388.555 2.238 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2nnn(-c3ccccc3Br)c2C)C1 ZINC000906363649 654431625 /nfs/dbraw/zinc/43/16/25/654431625.db2.gz ZIYNDGIYDPDOFQ-ZDUSSCGKSA-N 1 0 392.301 2.410 20 0 GEADRO Cn1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(I)n1 ZINC000893968708 654434809 /nfs/dbraw/zinc/43/48/09/654434809.db2.gz KKUFBPBLBHPJPA-CQSZACIVSA-N 1 0 388.297 2.475 20 0 GEADRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[C@@H](O)C(Cl)(Cl)Cl)C[C@@H](C)O1 ZINC000906410546 654435260 /nfs/dbraw/zinc/43/52/60/654435260.db2.gz KTKWGUQWBVFCHR-FVCCEPFGSA-N 1 0 387.735 2.208 20 0 GEADRO CCOC(=O)c1ncc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)s1 ZINC000894022644 654439638 /nfs/dbraw/zinc/43/96/38/654439638.db2.gz ZESWRMUQTIDUIP-UHFFFAOYSA-N 1 0 389.543 2.002 20 0 GEADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000906459909 654440550 /nfs/dbraw/zinc/44/05/50/654440550.db2.gz QPCIBOLTKFYTHT-ZDUSSCGKSA-N 1 0 387.735 2.069 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C)nc2I)C[C@H]1C ZINC000894044393 654441562 /nfs/dbraw/zinc/44/15/62/654441562.db2.gz KAKSXNOKQYZPCJ-DGCLKSJQSA-N 1 0 376.286 2.329 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283756 654441636 /nfs/dbraw/zinc/44/16/36/654441636.db2.gz YBAXXZURXYPODX-IUODEOHRSA-N 1 0 375.282 2.259 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283757 654441752 /nfs/dbraw/zinc/44/17/52/654441752.db2.gz YBAXXZURXYPODX-SWLSCSKDSA-N 1 0 375.282 2.259 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C)nc2I)C[C@@H]1C ZINC000894044394 654442130 /nfs/dbraw/zinc/44/21/30/654442130.db2.gz KAKSXNOKQYZPCJ-WCQYABFASA-N 1 0 376.286 2.329 20 0 GEADRO COCCOC[C@H]1CC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894069358 654444122 /nfs/dbraw/zinc/44/41/22/654444122.db2.gz DAMXTBOSJKXSPI-ZDUSSCGKSA-N 1 0 375.922 2.118 20 0 GEADRO COC(=O)c1cc(Br)c(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000923332681 654444981 /nfs/dbraw/zinc/44/49/81/654444981.db2.gz VMBSNLHBENWTGQ-QGZVFWFLSA-N 1 0 383.286 2.430 20 0 GEADRO [NH3+]C[C@@H]1C[C@H](F)CN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923345098 654446103 /nfs/dbraw/zinc/44/61/03/654446103.db2.gz UQLNJWOJJWGMCQ-SDDRHHMPSA-N 1 0 381.673 2.213 20 0 GEADRO COCC[NH2+]C1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923386734 654448078 /nfs/dbraw/zinc/44/80/78/654448078.db2.gz DULBCEYNUCFRJG-HNNXBMFYSA-N 1 0 377.312 2.434 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000873683268 654448332 /nfs/dbraw/zinc/44/83/32/654448332.db2.gz SAPQEXUIOYPHME-UHFFFAOYSA-N 1 0 396.285 2.143 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnc3ccccc3c2Br)C1 ZINC000873686344 654448725 /nfs/dbraw/zinc/44/87/25/654448725.db2.gz CSRZMFIUWBYLKK-NSHDSACASA-N 1 0 391.269 2.146 20 0 GEADRO Cn1cc(CNCC(C)(C)[NH+]2CCCCC2)c(I)n1 ZINC000894146033 654450072 /nfs/dbraw/zinc/45/00/72/654450072.db2.gz MHERPWFUGCROHC-UHFFFAOYSA-N 1 0 376.286 2.379 20 0 GEADRO CC(C)C[NH+]1CCC(NCc2cn(C)nc2I)CC1 ZINC000894167471 654452172 /nfs/dbraw/zinc/45/21/72/654452172.db2.gz POQVXOIRRXMOOF-UHFFFAOYSA-N 1 0 376.286 2.235 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873716336 654453076 /nfs/dbraw/zinc/45/30/76/654453076.db2.gz ILVVMUCNDFSEHY-UHFFFAOYSA-N 1 0 384.274 2.048 20 0 GEADRO C[C@@H](CNCc1c(I)cnn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000894176386 654453220 /nfs/dbraw/zinc/45/32/20/654453220.db2.gz KZYCWULZXYWMQD-NEPJUHHUSA-N 1 0 376.286 2.235 20 0 GEADRO COC(=O)[C@@H](c1ccccc1Br)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447481 654453717 /nfs/dbraw/zinc/45/37/17/654453717.db2.gz UHRGPOJKROTHNR-CZUORRHYSA-N 1 0 397.313 2.493 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br)C(C)C ZINC000873718326 654453618 /nfs/dbraw/zinc/45/36/18/654453618.db2.gz NEKFSXRNWABEPS-UHFFFAOYSA-N 1 0 398.301 2.437 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000873718387 654453643 /nfs/dbraw/zinc/45/36/43/654453643.db2.gz OELJTSRRDIDQSP-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873717837 654453661 /nfs/dbraw/zinc/45/36/61/654453661.db2.gz OAAIAWGQUMKSIR-NSHDSACASA-N 1 0 392.258 2.298 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873717788 654453833 /nfs/dbraw/zinc/45/38/33/654453833.db2.gz GAFYWJUNMJDHLD-UHFFFAOYSA-N 1 0 398.301 2.438 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(CC(=O)Nc1ccccc1Br)CC2 ZINC000923456771 654454148 /nfs/dbraw/zinc/45/41/48/654454148.db2.gz GFLQWCDJICTRMX-CYBMUJFWSA-N 1 0 382.302 2.217 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000894211611 654456173 /nfs/dbraw/zinc/45/61/73/654456173.db2.gz QRJYBMXIOKDIAW-LLVKDONJSA-N 1 0 388.310 2.314 20 0 GEADRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2nc(Br)nn2C)C1 ZINC000894215825 654456855 /nfs/dbraw/zinc/45/68/55/654456855.db2.gz CERARGDNEUVSPH-GFCCVEGCSA-N 1 0 380.290 2.202 20 0 GEADRO CN(C(=O)c1cnnn1-c1ccccc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000906657184 654457260 /nfs/dbraw/zinc/45/72/60/654457260.db2.gz UCQWVZZOAQKPRV-ZDUSSCGKSA-N 1 0 390.285 2.339 20 0 GEADRO O=S1(=O)C[C@H]2[C@@H](C1)[NH2+]CCN2Cc1cc2cc(Cl)ccc2nc1Cl ZINC000923524084 654460016 /nfs/dbraw/zinc/46/00/16/654460016.db2.gz RRFXLNMUVIDIMX-CABCVRRESA-N 1 0 386.304 2.112 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)c1 ZINC000906688661 654460226 /nfs/dbraw/zinc/46/02/26/654460226.db2.gz KKAWEDFTPGLKQJ-UHFFFAOYSA-N 1 0 397.317 2.315 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)ncc1Br ZINC000906688148 654460254 /nfs/dbraw/zinc/46/02/54/654460254.db2.gz CMJGAQQFAKFXIV-UHFFFAOYSA-N 1 0 397.317 2.315 20 0 GEADRO C[C@@H]([NH2+]Cc1c(I)cnn1C)[C@@H](O)c1ccc(F)cc1 ZINC000894259570 654460423 /nfs/dbraw/zinc/46/04/23/654460423.db2.gz XHFYPBFAWNOVCR-YMTOWFKASA-N 1 0 389.212 2.376 20 0 GEADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000906689365 654460626 /nfs/dbraw/zinc/46/06/26/654460626.db2.gz AGJFBUMDXFFBII-GFCCVEGCSA-N 1 0 375.416 2.325 20 0 GEADRO Cn1cc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)c(I)n1 ZINC000923526684 654461336 /nfs/dbraw/zinc/46/13/36/654461336.db2.gz SDOKJXQMZRZCFA-JTQLQIEISA-N 1 0 377.226 2.056 20 0 GEADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2cnc(Br)cn2)o1 ZINC000923529119 654462287 /nfs/dbraw/zinc/46/22/87/654462287.db2.gz KXAHQASLZSRUIC-UHFFFAOYSA-N 1 0 396.289 2.414 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000894281678 654462236 /nfs/dbraw/zinc/46/22/36/654462236.db2.gz RVPMKKORHVFHAW-GFCCVEGCSA-N 1 0 377.251 2.084 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000906701559 654462474 /nfs/dbraw/zinc/46/24/74/654462474.db2.gz OSYIABHVUCWDDD-ZDUSSCGKSA-N 1 0 391.269 2.050 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)cc1Br ZINC000906716183 654463892 /nfs/dbraw/zinc/46/38/92/654463892.db2.gz ICKQYVHVLMRSPM-UHFFFAOYSA-N 1 0 380.286 2.344 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c(Br)c1 ZINC000906718024 654464172 /nfs/dbraw/zinc/46/41/72/654464172.db2.gz TUCWEZMTZOQPSF-UHFFFAOYSA-N 1 0 380.286 2.344 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000923537679 654464584 /nfs/dbraw/zinc/46/45/84/654464584.db2.gz XIJHCBLBRGXUQW-SWLSCSKDSA-N 1 0 394.317 2.397 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCc1cnc(Br)cn1)c1ccc(F)cc1 ZINC000923540603 654465470 /nfs/dbraw/zinc/46/54/70/654465470.db2.gz IEAGTNOQCYKUKT-AWEZNQCLSA-N 1 0 396.264 2.480 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)cc1Br ZINC000906735586 654465597 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O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764582 654469200 /nfs/dbraw/zinc/46/92/00/654469200.db2.gz FIZFWQOFCALSCB-OAHLLOKOSA-N 1 0 388.212 2.020 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906765171 654469592 /nfs/dbraw/zinc/46/95/92/654469592.db2.gz BKHPJSVKDBHWIS-INIZCTEOSA-N 1 0 384.249 2.190 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906765263 654469757 /nfs/dbraw/zinc/46/97/57/654469757.db2.gz MFSUMQHDBQXWRF-KRWDZBQOSA-N 1 0 380.286 2.305 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000894367913 654469869 /nfs/dbraw/zinc/46/98/69/654469869.db2.gz OHZKOLLOMXPEAS-AWEZNQCLSA-N 1 0 389.212 2.161 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000873830621 654470093 /nfs/dbraw/zinc/47/00/93/654470093.db2.gz KXQOPZZVCWXULI-FZMZJTMJSA-N 1 0 398.301 2.195 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(I)n1 ZINC000894374651 654470878 /nfs/dbraw/zinc/47/08/78/654470878.db2.gz 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/nfs/dbraw/zinc/52/58/93/654525893.db2.gz SARCBOBOTURHMS-SWLSCSKDSA-N 1 0 388.331 2.235 20 0 GEADRO C[NH+](C)C[C@@H]1NC(=O)N(CC2(c3ccc(Br)s3)CCC2)C1=O ZINC000924878653 654527579 /nfs/dbraw/zinc/52/75/79/654527579.db2.gz YUFRFKFGURNICG-JTQLQIEISA-N 1 0 386.315 2.414 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCC2(OC)OC)s1 ZINC000924949456 654529527 /nfs/dbraw/zinc/52/95/27/654529527.db2.gz ZEJMPBWXCMVCTC-AWEZNQCLSA-N 1 0 376.544 2.062 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc(CO)on2)s1 ZINC000924947367 654529584 /nfs/dbraw/zinc/52/95/84/654529584.db2.gz QPMJKGBAOWQAAF-GFCCVEGCSA-N 1 0 387.527 2.152 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000924996340 654530939 /nfs/dbraw/zinc/53/09/39/654530939.db2.gz TWMNFGJXZPMBNY-HTQZYQBOSA-N 1 0 399.182 2.402 20 0 GEADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(Br)n1 ZINC000925018353 654531554 /nfs/dbraw/zinc/53/15/54/654531554.db2.gz JUOKIXMBLRHAOC-LBPRGKRZSA-N 1 0 390.347 2.004 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1)C(F)(F)F ZINC000925039531 654532236 /nfs/dbraw/zinc/53/22/36/654532236.db2.gz HEMZASWANGRKQW-HUUCEWRRSA-N 1 0 384.464 2.343 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCCN3CCCC[C@H]23)CC1)C(F)(F)F ZINC000925041067 654532266 /nfs/dbraw/zinc/53/22/66/654532266.db2.gz TVVWBIWWXIFKRA-LSDHHAIUSA-N 1 0 383.480 2.155 20 0 GEADRO CS[C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000907355051 654535246 /nfs/dbraw/zinc/53/52/46/654535246.db2.gz UARKQMZTVKEPAQ-CHWSQXEVSA-N 1 0 375.416 2.458 20 0 GEADRO Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)CCO2)n1 ZINC000925157970 654535373 /nfs/dbraw/zinc/53/53/73/654535373.db2.gz AJLSMIOGVIIHKH-KFWWJZLASA-N 1 0 382.555 2.114 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C1(Br)CC1 ZINC000925261546 654539095 /nfs/dbraw/zinc/53/90/95/654539095.db2.gz IVZPYOJRTMAQNY-MRVPVSSYSA-N 1 0 379.242 2.206 20 0 GEADRO COc1ccc([C@H]2NC(=O)N([C@H]3CCC[N@H+](C)C3)C2=O)cc1Br ZINC000925301070 654540625 /nfs/dbraw/zinc/54/06/25/654540625.db2.gz YPMBBKYXAWFCLS-SMDDNHRTSA-N 1 0 382.258 2.145 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000925318641 654541336 /nfs/dbraw/zinc/54/13/36/654541336.db2.gz GSQUHJJQXVKKGJ-WZRBSPASSA-N 1 0 376.284 2.125 20 0 GEADRO C[C@@H]1[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000925331798 654541727 /nfs/dbraw/zinc/54/17/27/654541727.db2.gz HTTDDKRAYUAPDF-ZWNOBZJWSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1nc(Br)ccc1F ZINC000925359209 654542604 /nfs/dbraw/zinc/54/26/04/654542604.db2.gz LTDOERZKDOBGNQ-SNVBAGLBSA-N 1 0 380.283 2.059 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cn2c(n1)CCCC2 ZINC000925396246 654544015 /nfs/dbraw/zinc/54/40/15/654544015.db2.gz KXIFZXGHMWGKPH-GFCCVEGCSA-N 1 0 376.473 2.134 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCOC12CCOCC2)c1cccc(Br)c1 ZINC000925401673 654544032 /nfs/dbraw/zinc/54/40/32/654544032.db2.gz UZBVWYXVTTXOSN-HNNXBMFYSA-N 1 0 383.286 2.107 20 0 GEADRO Cc1cc(OCC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000907452459 654544509 /nfs/dbraw/zinc/54/45/09/654544509.db2.gz NRAASKNGOXMHHZ-HNNXBMFYSA-N 1 0 398.345 2.279 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1ccccc1Br ZINC000925542684 654545775 /nfs/dbraw/zinc/54/57/75/654545775.db2.gz INGYYAOHGVPRHH-CJNGLKHVSA-N 1 0 386.286 2.117 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(Br)n1 ZINC000925523685 654545829 /nfs/dbraw/zinc/54/58/29/654545829.db2.gz VENQDVKMTMVTJD-NSHDSACASA-N 1 0 388.331 2.451 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCCN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000925566072 654546018 /nfs/dbraw/zinc/54/60/18/654546018.db2.gz CRLYIODQZRAINU-INIZCTEOSA-N 1 0 396.329 2.452 20 0 GEADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000925788255 654549801 /nfs/dbraw/zinc/54/98/01/654549801.db2.gz GVIHETZAZJPCJN-FZMZJTMJSA-N 1 0 393.372 2.328 20 0 GEADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000925788254 654549883 /nfs/dbraw/zinc/54/98/83/654549883.db2.gz GVIHETZAZJPCJN-BXUZGUMPSA-N 1 0 393.372 2.328 20 0 GEADRO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(SCC(F)F)cc1 ZINC000925790265 654550131 /nfs/dbraw/zinc/55/01/31/654550131.db2.gz ASJFGIVCELVRML-IUODEOHRSA-N 1 0 378.510 2.471 20 0 GEADRO CC[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(OC(F)(F)F)cc1 ZINC000925789999 654550147 /nfs/dbraw/zinc/55/01/47/654550147.db2.gz ZRBRECQHBRBRKI-LSDHHAIUSA-N 1 0 380.432 2.403 20 0 GEADRO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(Br)ccc1F ZINC000925794181 654550313 /nfs/dbraw/zinc/55/03/13/654550313.db2.gz KZMHAJCUACGEJC-ZYHUDNBSSA-N 1 0 379.295 2.016 20 0 GEADRO CNC(=O)c1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1Cl ZINC000925959878 654554763 /nfs/dbraw/zinc/55/47/63/654554763.db2.gz LBQLVXXVOHQGGM-JQWIXIFHSA-N 1 0 378.782 2.443 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)cc1Br)N1CCNCC[NH2+]CC1 ZINC000926076319 654558184 /nfs/dbraw/zinc/55/81/84/654558184.db2.gz OIGNKDIBWULSKW-UHFFFAOYSA-N 1 0 395.223 2.495 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000926089729 654558437 /nfs/dbraw/zinc/55/84/37/654558437.db2.gz BMJKHXACXAXJSS-LLVKDONJSA-N 1 0 379.262 2.232 20 0 GEADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CCNCC[NH2+]CC1 ZINC000926097428 654559044 /nfs/dbraw/zinc/55/90/44/654559044.db2.gz PPCCSCAJYWWXQA-UHFFFAOYSA-N 1 0 384.868 2.024 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1Br ZINC000926116164 654559517 /nfs/dbraw/zinc/55/95/17/654559517.db2.gz OMBUDCXXKZKPKS-QWRGUYRKSA-N 1 0 383.290 2.257 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000926110725 654559606 /nfs/dbraw/zinc/55/96/06/654559606.db2.gz XZGNZMSHOZNRHS-BLLLJJGKSA-N 1 0 384.307 2.457 20 0 GEADRO C[C@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[C@@H]1C[NH3+] ZINC000926109313 654559632 /nfs/dbraw/zinc/55/96/32/654559632.db2.gz YXPUEYDGZFBJHE-NWDGAFQWSA-N 1 0 393.289 2.478 20 0 GEADRO O=C(N[C@@H](c1nccs1)C(F)(F)F)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926126101 654559777 /nfs/dbraw/zinc/55/97/77/654559777.db2.gz OVWJOTYTSRXRNX-MNOVXSKESA-N 1 0 378.420 2.204 20 0 GEADRO COc1cc(Br)ccc1CCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000926138837 654560447 /nfs/dbraw/zinc/56/04/47/654560447.db2.gz AXVPWZJTNMWXPN-INIZCTEOSA-N 1 0 397.313 2.275 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1scnc1C(F)(F)F)C2 ZINC000926151185 654561091 /nfs/dbraw/zinc/56/10/91/654561091.db2.gz SRPBTTKBLNEUAP-FRWLMAKKSA-N 1 0 377.432 2.371 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccncc3Br)C2)[C@@H]1C(C)C ZINC000926251015 654564301 /nfs/dbraw/zinc/56/43/01/654564301.db2.gz OOFTVTOUENENEZ-CBZIJGRNSA-N 1 0 396.329 2.444 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907655141 654564410 /nfs/dbraw/zinc/56/44/10/654564410.db2.gz LIFDNEFFJIHBMO-LBPRGKRZSA-N 1 0 384.318 2.128 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cncc(Br)c3)C2)[C@@H]1C(C)C ZINC000926268459 654565376 /nfs/dbraw/zinc/56/53/76/654565376.db2.gz IMHJTWPBPBPRKN-XLMAVXFVSA-N 1 0 396.329 2.444 20 0 GEADRO CC(C)[C@H]1COCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000926368432 654569586 /nfs/dbraw/zinc/56/95/86/654569586.db2.gz ATOCSOWWKSTUJU-UKRRQHHQSA-N 1 0 378.897 2.408 20 0 GEADRO C[C@H]([NH2+][C@H]1C(=O)NCC1(C)C)c1ccc(Br)cc1OCCCO ZINC000926468407 654571430 /nfs/dbraw/zinc/57/14/30/654571430.db2.gz ZSYWRFUDCGPTBB-NHYWBVRUSA-N 1 0 385.302 2.386 20 0 GEADRO C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000926482798 654571936 /nfs/dbraw/zinc/57/19/36/654571936.db2.gz PFKBDRDIRGTXBG-LBPRGKRZSA-N 1 0 379.448 2.293 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H](Cc2cccc(F)c2Cl)c2ccco2)C1 ZINC000926507771 654572817 /nfs/dbraw/zinc/57/28/17/654572817.db2.gz KTWYKMCUDXCPAW-PBHICJAKSA-N 1 0 387.860 2.495 20 0 GEADRO C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926517532 654573296 /nfs/dbraw/zinc/57/32/96/654573296.db2.gz AZVRLJXNKVHJDN-YGRLFVJLSA-N 1 0 379.309 2.180 20 0 GEADRO CON1CCC([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000926540813 654574497 /nfs/dbraw/zinc/57/44/97/654574497.db2.gz FRWQPLVUFCXJLO-CYBMUJFWSA-N 1 0 375.282 2.355 20 0 GEADRO COC1(OC)CC[C@@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000926542494 654574750 /nfs/dbraw/zinc/57/47/50/654574750.db2.gz SZAVYYKVRUAFMC-ABAIWWIYSA-N 1 0 376.266 2.480 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cccc(Br)n1 ZINC000926673818 654579730 /nfs/dbraw/zinc/57/97/30/654579730.db2.gz ZQEKFOQMTQUNPK-NSODJVPESA-N 1 0 378.274 2.248 20 0 GEADRO O=C(NCC[NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(Br)cn1 ZINC000926682694 654580146 /nfs/dbraw/zinc/58/01/46/654580146.db2.gz GRYASEPMYONMGU-INIZCTEOSA-N 1 0 382.302 2.369 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1(C)C ZINC000926691921 654580341 /nfs/dbraw/zinc/58/03/41/654580341.db2.gz FFZKYYYEEOKKPS-LLVKDONJSA-N 1 0 388.452 2.341 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@H]3CCCc4ncc(Br)cc43)COCCN12 ZINC000926794692 654582072 /nfs/dbraw/zinc/58/20/72/654582072.db2.gz AYYVWUCSJCIYFW-GOEBONIOSA-N 1 0 382.258 2.032 20 0 GEADRO CCO[C@@H](CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000926837392 654583429 /nfs/dbraw/zinc/58/34/29/654583429.db2.gz TYFYUOPJNHZLJU-GJZGRUSLSA-N 1 0 378.300 2.293 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)C1(Br)CC1 ZINC000926884492 654584395 /nfs/dbraw/zinc/58/43/95/654584395.db2.gz UOUBIAYUVNXRKJ-LBPRGKRZSA-N 1 0 375.332 2.484 20 0 GEADRO Cc1c(Br)cccc1CC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000926910109 654584527 /nfs/dbraw/zinc/58/45/27/654584527.db2.gz GHNOUKFCDOFVSF-UHFFFAOYSA-N 1 0 375.332 2.314 20 0 GEADRO CN1CCO[C@@H]([C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000926953039 654584893 /nfs/dbraw/zinc/58/48/93/654584893.db2.gz HIFDECAGSJNNHT-IAGOWNOFSA-N 1 0 388.961 2.372 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000926963252 654585143 /nfs/dbraw/zinc/58/51/43/654585143.db2.gz NMSAMRMWWVNYKH-IUODEOHRSA-N 1 0 381.464 2.484 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000926971773 654585962 /nfs/dbraw/zinc/58/59/62/654585962.db2.gz MAVONFXILDSFJL-CQSZACIVSA-N 1 0 399.358 2.415 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000926980974 654587059 /nfs/dbraw/zinc/58/70/59/654587059.db2.gz TXZMJJZGHXLASQ-UHFFFAOYSA-N 1 0 397.317 2.233 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC000926995935 654588911 /nfs/dbraw/zinc/58/89/11/654588911.db2.gz PLWMGGKVRNFWRZ-GBRKPNRJSA-N 1 0 375.531 2.069 20 0 GEADRO CC1(C)C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c2cc(Br)ccc21 ZINC000927027311 654589865 /nfs/dbraw/zinc/58/98/65/654589865.db2.gz TYTLVXWBXUUJQD-SMDDNHRTSA-N 1 0 376.316 2.167 20 0 GEADRO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)C1 ZINC000927026457 654589876 /nfs/dbraw/zinc/58/98/76/654589876.db2.gz QFHFEJYOOGGMQD-DJSGYFEHSA-N 1 0 390.343 2.458 20 0 GEADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927027971 654590260 /nfs/dbraw/zinc/59/02/60/654590260.db2.gz HKLZBCGCIRSHKL-UDZFHETQSA-N 1 0 394.356 2.227 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927113402 654594082 /nfs/dbraw/zinc/59/40/82/654594082.db2.gz HEVGMJKSICDGIH-ZFWWWQNUSA-N 1 0 396.333 2.403 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000927144953 654595238 /nfs/dbraw/zinc/59/52/38/654595238.db2.gz HJYURLQLWBFGCN-BXUZGUMPSA-N 1 0 392.301 2.442 20 0 GEADRO C[NH+](C)C[C@H]1NC(=O)N(c2cc(Br)cc(C(F)(F)F)c2)C1=O ZINC000927183892 654595492 /nfs/dbraw/zinc/59/54/92/654595492.db2.gz RIOANLLROKMUFU-SNVBAGLBSA-N 1 0 380.164 2.454 20 0 GEADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2cnc(Br)s2)CC1 ZINC000908028879 654598273 /nfs/dbraw/zinc/59/82/73/654598273.db2.gz FKENMDOQRJAPJB-UHFFFAOYSA-N 1 0 389.363 2.328 20 0 GEADRO O=C([C@@H](O)c1cccc(Br)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000908033639 654599074 /nfs/dbraw/zinc/59/90/74/654599074.db2.gz AWFMPDPHROUUGK-PBHICJAKSA-N 1 0 397.313 2.053 20 0 GEADRO Cn1cc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c(Br)n1 ZINC000927622646 654606509 /nfs/dbraw/zinc/60/65/09/654606509.db2.gz VLLNVQQBPSLRAI-CABCVRRESA-N 1 0 377.286 2.144 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1c(Cl)cc(F)cc1Br ZINC000908201352 654612675 /nfs/dbraw/zinc/61/26/75/654612675.db2.gz FKXOWBNOBLNWAX-SNVBAGLBSA-N 1 0 379.657 2.428 20 0 GEADRO Cc1c(NC(=O)C(=O)NCC2C[NH2+]C2)cc(Br)cc1C(F)(F)F ZINC000927796037 654614960 /nfs/dbraw/zinc/61/49/60/654614960.db2.gz JKZPBVBOSZGXLC-UHFFFAOYSA-N 1 0 394.191 2.050 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000927809695 654615166 /nfs/dbraw/zinc/61/51/66/654615166.db2.gz MXVQMKQUGWYOGS-RDDDGLTNSA-N 1 0 394.191 2.131 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000908238796 654615290 /nfs/dbraw/zinc/61/52/90/654615290.db2.gz RJJPWJUAJBFTGG-ZDUSSCGKSA-N 1 0 382.719 2.483 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1Br ZINC000927829701 654616196 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391.269 2.132 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1c(F)cc(Br)cc1F)C(C)C ZINC000927862812 654618116 /nfs/dbraw/zinc/61/81/16/654618116.db2.gz HCTXZKPSRICXGU-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C(C)C ZINC000927863856 654618164 /nfs/dbraw/zinc/61/81/64/654618164.db2.gz USKSDDLKKJMOJZ-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cccc2cncc(Br)c21)C(C)C ZINC000927864735 654618393 /nfs/dbraw/zinc/61/83/93/654618393.db2.gz HETREYYXCGKHRE-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C(C)C ZINC000927865310 654618462 /nfs/dbraw/zinc/61/84/62/654618462.db2.gz PRYCHOVINFSPBL-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c(Br)c1 ZINC000927869780 654618647 /nfs/dbraw/zinc/61/86/47/654618647.db2.gz VMMCREVITYPREM-RHSMWYFYSA-N 1 0 380.286 2.344 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000927886633 654619556 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CC(C)[NH+]1CCC(N(C)C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000929726353 654691085 /nfs/dbraw/zinc/69/10/85/654691085.db2.gz UYURDTTWYPEHRY-UHFFFAOYSA-N 1 0 380.290 2.437 20 0 GEADRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC000929749810 654691589 /nfs/dbraw/zinc/69/15/89/654691589.db2.gz LBTNIQLYVHGASH-STQMWFEESA-N 1 0 383.480 2.072 20 0 GEADRO CS(=O)(=O)N1CC(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)C1 ZINC000929825782 654692725 /nfs/dbraw/zinc/69/27/25/654692725.db2.gz RPUSHOJIMGPANY-QGZVFWFLSA-N 1 0 380.535 2.175 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000929885938 654694109 /nfs/dbraw/zinc/69/41/09/654694109.db2.gz KAGIYUWBJRICAO-ZFWWWQNUSA-N 1 0 398.301 2.300 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000929885936 654694114 /nfs/dbraw/zinc/69/41/14/654694114.db2.gz KAGIYUWBJRICAO-HIFRSBDPSA-N 1 0 398.301 2.300 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000929992281 654696942 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ZINC000931078032 654728501 /nfs/dbraw/zinc/72/85/01/654728501.db2.gz MYSPODBXPIUAKY-NSHDSACASA-N 1 0 375.828 2.354 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)Nc1ccccc1-c1cccs1 ZINC000911645469 654729040 /nfs/dbraw/zinc/72/90/40/654729040.db2.gz COGKNMOPAMKQIO-HACGYAERSA-N 1 0 376.503 2.376 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(=O)n(C)cc2Br)CC1 ZINC000931109850 654729608 /nfs/dbraw/zinc/72/96/08/654729608.db2.gz PHTJBADNHVEYIQ-UHFFFAOYSA-N 1 0 384.318 2.342 20 0 GEADRO CC(F)(F)CCC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000931125939 654729862 /nfs/dbraw/zinc/72/98/62/654729862.db2.gz CVUQZERCHPKILE-UHFFFAOYSA-N 1 0 375.485 2.018 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)c1cc(Br)c(C(F)(F)F)cc1F ZINC000911694979 654729923 /nfs/dbraw/zinc/72/99/23/654729923.db2.gz IDVZSMRIYSTGDU-UHFFFAOYSA-N 1 0 398.198 2.242 20 0 GEADRO Cc1cc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cnc1Br ZINC000911736476 654730888 /nfs/dbraw/zinc/73/08/88/654730888.db2.gz SDDDORPWIHYFMP-UHFFFAOYSA-N 1 0 376.258 2.209 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000911736739 654730950 /nfs/dbraw/zinc/73/09/50/654730950.db2.gz NJXSARDSWUOTHO-SECBINFHSA-N 1 0 377.080 2.431 20 0 GEADRO [NH3+]CCc1ccc(CNC(=O)c2cc(Br)cn(C3CC3)c2=O)cc1 ZINC000911733956 654730965 /nfs/dbraw/zinc/73/09/65/654730965.db2.gz GJFRHHNARGDFSN-UHFFFAOYSA-N 1 0 390.281 2.377 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@H](C)C1(F)F ZINC000931160019 654731375 /nfs/dbraw/zinc/73/13/75/654731375.db2.gz RINYZIHXEFHCSF-MJBXVCDLSA-N 1 0 382.517 2.211 20 0 GEADRO Cc1c(C(=O)NCC[C@@H]2CC[NH2+]C2)nnn1-c1ccccc1Br ZINC000911767549 654731726 /nfs/dbraw/zinc/73/17/26/654731726.db2.gz KSCPZBWODUFKPF-LBPRGKRZSA-N 1 0 378.274 2.068 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)C[C@]1(O)CCOC1)c1cc(F)c(Br)cc1F ZINC000931170543 654731710 /nfs/dbraw/zinc/73/17/10/654731710.db2.gz AOBNCHDKLUMLSB-FEUHOPSXSA-N 1 0 380.229 2.280 20 0 GEADRO OC[C@@]1([NH2+]C[C@@H]2CCC3(COC3)O2)CCc2cc(Br)ccc2C1 ZINC000931175038 654731895 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CN1CC[NH2+]C[C@@H]1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000911967563 654738079 /nfs/dbraw/zinc/73/80/79/654738079.db2.gz JKAATOCZAIQJTJ-CYBMUJFWSA-N 1 0 381.299 2.415 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2nc3ccc(Br)cc3o2)C1 ZINC000911985867 654738790 /nfs/dbraw/zinc/73/87/90/654738790.db2.gz AZZODGLJIKDHLI-MRXNPFEDSA-N 1 0 382.258 2.053 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@]23C[C@H]2CCC[NH2+]3)ccc1Cl ZINC000911993897 654738994 /nfs/dbraw/zinc/73/89/94/654738994.db2.gz WRUZGOIKMXJLQE-PXAZEXFGSA-N 1 0 385.917 2.451 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)ccc1Cl ZINC000911993344 654739011 /nfs/dbraw/zinc/73/90/11/654739011.db2.gz SYRDVBSUCDDUIR-WWGRRREGSA-N 1 0 385.917 2.165 20 0 GEADRO C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)c1ccc(Cl)cc1Cl ZINC000912028910 654740175 /nfs/dbraw/zinc/74/01/75/654740175.db2.gz FXYNDXVAMXJIEX-LHAYTIOMSA-N 1 0 391.320 2.193 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 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COC(=O)C[C@@H](NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Br)cc1 ZINC000912453944 654754593 /nfs/dbraw/zinc/75/45/93/654754593.db2.gz IOBYZABIMBDKCW-GBJTYRQASA-N 1 0 381.270 2.310 20 0 GEADRO Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)nn1CC(F)(F)F ZINC000931764036 654756165 /nfs/dbraw/zinc/75/61/65/654756165.db2.gz MKRCECGMWGSLRM-VXGBXAGGSA-N 1 0 377.436 2.455 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000912512761 654757699 /nfs/dbraw/zinc/75/76/99/654757699.db2.gz KLVDDECFBAIGOI-UHFFFAOYSA-N 1 0 377.286 2.429 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912586620 654760132 /nfs/dbraw/zinc/76/01/32/654760132.db2.gz VZIYFTOUKWOZOY-UHFFFAOYSA-N 1 0 384.318 2.365 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2ccc(Br)cc2O)CC1 ZINC000912589285 654760146 /nfs/dbraw/zinc/76/01/46/654760146.db2.gz PIOQJGKDIAZWCS-UHFFFAOYSA-N 1 0 399.329 2.296 20 0 GEADRO C[NH+](C)CCCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000912593342 654760421 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CCn1c(Br)ncc1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000912731546 654765856 /nfs/dbraw/zinc/76/58/56/654765856.db2.gz ZUQVPODLJZUAIP-ZDUSSCGKSA-N 1 0 399.333 2.381 20 0 GEADRO COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000932187512 654769332 /nfs/dbraw/zinc/76/93/32/654769332.db2.gz XCNVYKOILIHQQN-GFCCVEGCSA-N 1 0 375.847 2.193 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1nccc2c(Br)cccc21 ZINC000932185647 654769410 /nfs/dbraw/zinc/76/94/10/654769410.db2.gz FYFQCJYKEXJPAX-ZDUSSCGKSA-N 1 0 391.313 2.363 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cnc1C1CC1 ZINC000932185610 654769479 /nfs/dbraw/zinc/76/94/79/654769479.db2.gz KPPPLPNWFWBXIH-GFCCVEGCSA-N 1 0 381.318 2.087 20 0 GEADRO NC(=O)[C@@](O)(C[NH2+][C@H]1CCOc2ccc(Br)cc21)c1ccccc1 ZINC000932206261 654770090 /nfs/dbraw/zinc/77/00/90/654770090.db2.gz ZIUVYULQGCTAFH-MAUKXSAKSA-N 1 0 391.265 2.235 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932204953 654770107 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CC[NH+]1CCN(CCNC(=O)c2nccc3c(Br)cccc32)CC1 ZINC000932704715 654786156 /nfs/dbraw/zinc/78/61/56/654786156.db2.gz WCBNTQNVEJVZFO-UHFFFAOYSA-N 1 0 391.313 2.365 20 0 GEADRO Cc1cc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cnc1Br ZINC000932721744 654786810 /nfs/dbraw/zinc/78/68/10/654786810.db2.gz XOMNYXQUJMPNSE-UHFFFAOYSA-N 1 0 383.334 2.156 20 0 GEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cncc(I)c3)C[C@@]2(C)C1 ZINC000913282680 654787720 /nfs/dbraw/zinc/78/77/20/654787720.db2.gz BONZUHJDBXEWHB-HUUCEWRRSA-N 1 0 385.249 2.100 20 0 GEADRO Cc1ncc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1Br ZINC000932786490 654790462 /nfs/dbraw/zinc/79/04/62/654790462.db2.gz SOEHTFLWFZKUHB-NSHDSACASA-N 1 0 384.322 2.218 20 0 GEADRO Cc1ncc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1Br ZINC000932786767 654790505 /nfs/dbraw/zinc/79/05/05/654790505.db2.gz WXRITMVWJWQPIC-OLZOCXBDSA-N 1 0 383.290 2.446 20 0 GEADRO NS(=O)(=O)C[C@@H]1CC[N@H+](CCCCOc2ccc(Br)cc2)C1 ZINC000932946768 654795703 /nfs/dbraw/zinc/79/57/03/654795703.db2.gz UZVQJWVDUYNIOS-CYBMUJFWSA-N 1 0 391.331 2.219 20 0 GEADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000933037760 654800804 /nfs/dbraw/zinc/80/08/04/654800804.db2.gz ZHICYXUWWFWHPL-INIZCTEOSA-N 1 0 390.281 2.382 20 0 GEADRO CCn1c(Br)ncc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000913660042 654803056 /nfs/dbraw/zinc/80/30/56/654803056.db2.gz PCFXCNLGDKSVMI-UHFFFAOYSA-N 1 0 381.278 2.381 20 0 GEADRO Cc1csc(C[C@H]2CC[N@H+](CCOc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC000933126695 654803050 /nfs/dbraw/zinc/80/30/50/654803050.db2.gz BUZGHAYGWBJSGH-CQSZACIVSA-N 1 0 381.523 2.042 20 0 GEADRO CO[C@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)c1ccccc1Br ZINC000913675673 654803525 /nfs/dbraw/zinc/80/35/25/654803525.db2.gz DJHKSJJJYQGCMD-HNNXBMFYSA-N 1 0 385.302 2.052 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000913677651 654803823 /nfs/dbraw/zinc/80/38/23/654803823.db2.gz YOLFLPVGVURVMM-JKSUJKDBSA-N 1 0 381.314 2.468 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Nc2c(F)ccc(Br)c2F)CC1 ZINC000933291141 654806591 /nfs/dbraw/zinc/80/65/91/654806591.db2.gz SYRPZXDFYZBWBC-UHFFFAOYSA-N 1 0 378.217 2.306 20 0 GEADRO CCOC(=O)CS[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(F)(F)F ZINC000913766531 654808424 /nfs/dbraw/zinc/80/84/24/654808424.db2.gz GIXLCEUAKCNNDP-FRRDWIJNSA-N 1 0 382.448 2.347 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC1([NH+](C)C)CC1 ZINC000913884288 654813374 /nfs/dbraw/zinc/81/33/74/654813374.db2.gz OXUKCLCIGUSJCP-UHFFFAOYSA-N 1 0 383.290 2.089 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1[nH]nc2c1COCC2 ZINC000933440783 654813705 /nfs/dbraw/zinc/81/37/05/654813705.db2.gz NUCIIWJJFHKNQS-QGZVFWFLSA-N 1 0 380.286 2.328 20 0 GEADRO Cn1cc(CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c(Br)n1 ZINC000913888761 654813822 /nfs/dbraw/zinc/81/38/22/654813822.db2.gz LFIILNUQEAXNHE-HNNXBMFYSA-N 1 0 394.317 2.155 20 0 GEADRO Cn1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000913892394 654814069 /nfs/dbraw/zinc/81/40/69/654814069.db2.gz PSPKGVIDVSEABY-OAHLLOKOSA-N 1 0 392.301 2.256 20 0 GEADRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)CC1 ZINC000913913315 654815835 /nfs/dbraw/zinc/81/58/35/654815835.db2.gz ZAPBFZOYLQUGTB-UHFFFAOYSA-N 1 0 391.320 2.314 20 0 GEADRO C[C@H](NC(=O)c1cc(=O)[nH]cc1Br)C1([NH+]2CCOCC2)CCCC1 ZINC000933562977 654817097 /nfs/dbraw/zinc/81/70/97/654817097.db2.gz HCJCXNVUVUTTPD-LBPRGKRZSA-N 1 0 398.301 2.313 20 0 GEADRO O=C1NCCN1CC1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000933585066 654817295 /nfs/dbraw/zinc/81/72/95/654817295.db2.gz GGXNJJMEKRWJKX-MRXNPFEDSA-N 1 0 382.302 2.220 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1cc(F)ccc1Br ZINC000913949619 654817878 /nfs/dbraw/zinc/81/78/78/654817878.db2.gz UFRXBEVZXBSRMP-HNNXBMFYSA-N 1 0 391.306 2.494 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C[C@H](O)COc3cc(F)cc(Br)c3)C[C@]2(C)C1 ZINC000933733052 654822286 /nfs/dbraw/zinc/82/22/86/654822286.db2.gz ZTWBTYHCDITLCK-PVUWLOKVSA-N 1 0 387.293 2.211 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(C)c1I ZINC000933733824 654822513 /nfs/dbraw/zinc/82/25/13/654822513.db2.gz WXEZSYBWBFBGDA-JTQLQIEISA-N 1 0 391.257 2.021 20 0 GEADRO Cn1cc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(Br)n1 ZINC000914073429 654824882 /nfs/dbraw/zinc/82/48/82/654824882.db2.gz LISWTMJNTDDLOS-GFCCVEGCSA-N 1 0 386.319 2.346 20 0 GEADRO Cn1ncc(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1I ZINC000933741447 654824994 /nfs/dbraw/zinc/82/49/94/654824994.db2.gz AOSJPIBUJKMUNV-VIFPVBQESA-N 1 0 391.257 2.019 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC000933839561 654828231 /nfs/dbraw/zinc/82/82/31/654828231.db2.gz ZCDHHDVRDJRURC-UHFFFAOYSA-N 1 0 377.229 2.114 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000914150538 654829972 /nfs/dbraw/zinc/82/99/72/654829972.db2.gz OQEYMGNPEWSENR-KGLIPLIRSA-N 1 0 382.306 2.061 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cscc2C(F)F)CC1 ZINC000914156164 654830236 /nfs/dbraw/zinc/83/02/36/654830236.db2.gz SIBHXOPHPVFEKD-NSHDSACASA-N 1 0 382.498 2.399 20 0 GEADRO CN1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC[N@H+](C)CC1 ZINC000933996441 654833714 /nfs/dbraw/zinc/83/37/14/654833714.db2.gz BHRFOZBBUTXNGP-UHFFFAOYSA-N 1 0 394.317 2.178 20 0 GEADRO Cn1cc(Br)c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1=O ZINC000934163674 654837422 /nfs/dbraw/zinc/83/74/22/654837422.db2.gz UKYHTKPYQLTSJA-UHFFFAOYSA-N 1 0 396.260 2.149 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCCSC(F)(F)F)C2)[C@@H]1C(C)C ZINC000914239112 654837749 /nfs/dbraw/zinc/83/77/49/654837749.db2.gz SAWQSJTVDWCMDX-GUIRCDHDSA-N 1 0 383.480 2.408 20 0 GEADRO COc1cc(Br)cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000934219867 654839105 /nfs/dbraw/zinc/83/91/05/654839105.db2.gz MKHIQJPOHAZITR-ZDUSSCGKSA-N 1 0 383.286 2.252 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1nnc(-c2ccc(Br)o2)o1 ZINC000934251151 654839899 /nfs/dbraw/zinc/83/98/99/654839899.db2.gz AOCTWNADQOLAGK-RYUDHWBXSA-N 1 0 397.273 2.123 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1nc2cc(Br)ccc2[nH]1 ZINC000934266823 654841938 /nfs/dbraw/zinc/84/19/38/654841938.db2.gz WKLXUXPCWWDHQK-HZPDHXFCSA-N 1 0 379.302 2.356 20 0 GEADRO C[C@H]1C[NH+](CCCCNC(=O)C2(n3cc(Br)cn3)CC2)C[C@H](C)O1 ZINC000934313967 654843910 /nfs/dbraw/zinc/84/39/10/654843910.db2.gz QXEBPFGYSFERRX-KBPBESRZSA-N 1 0 399.333 2.140 20 0 GEADRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)CC1 ZINC000914332957 654846207 /nfs/dbraw/zinc/84/62/07/654846207.db2.gz MFDJDWCTGMHIAL-UHFFFAOYSA-N 1 0 389.304 2.140 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934370636 654847010 /nfs/dbraw/zinc/84/70/10/654847010.db2.gz VLMAVBKCRTUFOA-GFCCVEGCSA-N 1 0 399.337 2.128 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cnc(Br)cn1 ZINC000914356612 654847899 /nfs/dbraw/zinc/84/78/99/654847899.db2.gz LOYHJIZWFUENLW-UPJWGTAASA-N 1 0 384.322 2.405 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)c2nccnc2c1 ZINC000934386120 654848631 /nfs/dbraw/zinc/84/86/31/654848631.db2.gz RUSRTAZJNVXGOH-ZDUSSCGKSA-N 1 0 395.301 2.479 20 0 GEADRO C[C@H](c1ccsc1)N1CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000914376156 654849450 /nfs/dbraw/zinc/84/94/50/654849450.db2.gz VCSBZKQTUSMQJV-AEFFLSMTSA-N 1 0 383.583 2.242 20 0 GEADRO C[C@](CO)([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000934495579 654850998 /nfs/dbraw/zinc/85/09/98/654850998.db2.gz DOLPKBOMUHPJMP-IUODEOHRSA-N 1 0 376.316 2.071 20 0 GEADRO C[C@](CO)([NH2+]Cc1ccc(OCC(N)=O)cc1)c1cccc(Br)c1 ZINC000934496669 654851201 /nfs/dbraw/zinc/85/12/01/654851201.db2.gz CFKDCHQVWIDSBS-GOSISDBHSA-N 1 0 393.281 2.311 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000934548505 654852684 /nfs/dbraw/zinc/85/26/84/654852684.db2.gz POPDNHOGPCQAAF-LBPRGKRZSA-N 1 0 380.290 2.200 20 0 GEADRO C[NH+](C)C[C@H]1CN(C(=O)c2ncc(Br)cn2)c2ccccc2O1 ZINC000934735583 654856386 /nfs/dbraw/zinc/85/63/86/654856386.db2.gz OAYUBYKYRYVRKM-LBPRGKRZSA-N 1 0 377.242 2.209 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC[NH+]1CCCCCC1 ZINC000914795917 654857540 /nfs/dbraw/zinc/85/75/40/654857540.db2.gz MPIKOVLMKJZJCL-HNNXBMFYSA-N 1 0 388.965 2.170 20 0 GEADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000934750886 654857914 /nfs/dbraw/zinc/85/79/14/654857914.db2.gz TZLLRIAAQRMQBL-CRICUBBOSA-N 1 0 375.485 2.285 20 0 GEADRO Cn1cncc1CCC[NH2+][C@H](CO)c1ccccc1I ZINC000934827439 654861956 /nfs/dbraw/zinc/86/19/56/654861956.db2.gz WBCCWSCEALVPEI-OAHLLOKOSA-N 1 0 385.249 2.281 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=S)NCCCN1CCOCC1)c1ccsc1 ZINC000915126492 654863345 /nfs/dbraw/zinc/86/33/45/654863345.db2.gz GKUXCNBKQGLSQH-QGZVFWFLSA-N 1 0 384.615 2.317 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccc(F)cc3Br)[C@@H]2C1 ZINC000915834986 654880103 /nfs/dbraw/zinc/88/01/03/654880103.db2.gz NDRCGYLWXPIWKW-QMTHXVAHSA-N 1 0 377.279 2.054 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000935190595 654881171 /nfs/dbraw/zinc/88/11/71/654881171.db2.gz RNCBHVOEWOEEQD-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935252306 654883510 /nfs/dbraw/zinc/88/35/10/654883510.db2.gz SKGBRCJHZLXSAJ-CYBMUJFWSA-N 1 0 378.270 2.253 20 0 GEADRO CC[NH+]1CCC(CNC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000916033074 654885595 /nfs/dbraw/zinc/88/55/95/654885595.db2.gz SKJATJWBAUXENL-UHFFFAOYSA-N 1 0 384.322 2.166 20 0 GEADRO CS[C@H]1CN(C(=O)C2(n3cc(Br)cn3)CC2)C[C@H]1[NH+]1CCCC1 ZINC000935368082 654889962 /nfs/dbraw/zinc/88/99/62/654889962.db2.gz QANZGZKBVSVYPQ-KGLIPLIRSA-N 1 0 399.358 2.173 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1nc(C(C)C)ncc1Br ZINC000935372140 654890225 /nfs/dbraw/zinc/89/02/25/654890225.db2.gz SLBASAWQDHJDER-UHFFFAOYSA-N 1 0 387.322 2.451 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000935477074 654895909 /nfs/dbraw/zinc/89/59/09/654895909.db2.gz FPOCDDJKVNPHRN-LLVKDONJSA-N 1 0 377.436 2.078 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)c1nccc2c(Br)cccc21 ZINC000935551061 654899730 /nfs/dbraw/zinc/89/97/30/654899730.db2.gz MYUCIBPQCLIJBO-UHFFFAOYSA-N 1 0 378.270 2.449 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1 ZINC000935697121 654911480 /nfs/dbraw/zinc/91/14/80/654911480.db2.gz FFXCQVYTPYBOEQ-CYBMUJFWSA-N 1 0 382.302 2.478 20 0 GEADRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cnc1Br ZINC000935812586 654918377 /nfs/dbraw/zinc/91/83/77/654918377.db2.gz JJQMAWKZCLVJAK-HNNXBMFYSA-N 1 0 382.302 2.479 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3csc(Cl)n3)C[C@H]2C)CC[N@@H+]1C ZINC000959632768 654940680 /nfs/dbraw/zinc/94/06/80/654940680.db2.gz NVODRJCRUPEVGW-GFQSEFKGSA-N 1 0 384.933 2.104 20 0 GEADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncc(Cl)s2)CC[N@@H+]1C ZINC000976763096 654943383 /nfs/dbraw/zinc/94/33/83/654943383.db2.gz ZCLDWUUZDMAWFK-FDYHWXHSSA-N 1 0 384.933 2.294 20 0 GEADRO CC[C@@H]1[C@@H](NC(=O)c2csc(Cl)n2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000985476130 654944736 /nfs/dbraw/zinc/94/47/36/654944736.db2.gz MBNCNVJQXXJNBK-NRWUCQMLSA-N 1 0 384.933 2.246 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ccc(Cl)s1 ZINC000995928212 654947078 /nfs/dbraw/zinc/94/70/78/654947078.db2.gz HEXWKIZANAOEDU-UNQGMJICSA-N 1 0 381.929 2.286 20 0 GEADRO COc1ccc(-c2csc3ncnc(N4CCN5CC[NH2+]C[C@H]5C4)c23)cc1 ZINC001164406000 718839135 /nfs/dbraw/zinc/83/91/35/718839135.db2.gz RMHHPULVVKVJCH-HNNXBMFYSA-N 1 0 381.505 2.461 20 0 GEADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164402128 718852036 /nfs/dbraw/zinc/85/20/36/718852036.db2.gz FCGWUPCVHGKMBL-ZUZCIYMTSA-N 1 0 389.233 2.500 20 0 GEADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164409130 718854843 /nfs/dbraw/zinc/85/48/43/718854843.db2.gz UHWYGEQXMQGHEC-APPDUMDISA-N 1 0 398.816 2.499 20 0 GEADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164407761 718865034 /nfs/dbraw/zinc/86/50/34/718865034.db2.gz JQKLKIYUSFMZEC-AAEUAGOBSA-N 1 0 390.818 2.187 20 0 GEADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164410025 718866299 /nfs/dbraw/zinc/86/62/99/718866299.db2.gz WJDLILVOUYAYMQ-NXEZZACHSA-N 1 0 389.859 2.185 20 0 GEADRO O=C1NCCN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)C12C[NH2+]C2 ZINC001164414406 718879228 /nfs/dbraw/zinc/87/92/28/718879228.db2.gz SOKDBNFCOOWWPI-UHFFFAOYSA-N 1 0 396.800 2.364 20 0 GEADRO [NH3+][C@]12C[C@H]1CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164420094 718896312 /nfs/dbraw/zinc/89/63/12/718896312.db2.gz KCWPWGZAJWJESY-SZNDQCEHSA-N 1 0 399.564 2.330 20 0 GEADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425810 718914288 /nfs/dbraw/zinc/91/42/88/718914288.db2.gz VNLLPVVDVABRRC-QGZVFWFLSA-N 1 0 398.841 2.413 20 0 GEADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164422818 718915182 /nfs/dbraw/zinc/91/51/82/718915182.db2.gz BJHQZXYOQRNYJR-MRXNPFEDSA-N 1 0 386.830 2.347 20 0 GEADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164422808 718919901 /nfs/dbraw/zinc/91/99/01/718919901.db2.gz BHOLPNDKFGHBFI-QGZVFWFLSA-N 1 0 387.858 2.354 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(OC)c1 ZINC001164615304 719012962 /nfs/dbraw/zinc/01/29/62/719012962.db2.gz IHAWBFBRLRVIPW-ADEWGFFLSA-N 1 0 375.803 2.018 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(SC)n1 ZINC001164619623 719013062 /nfs/dbraw/zinc/01/30/62/719013062.db2.gz WEYOXUYRPOXTHC-LPEHRKFASA-N 1 0 392.859 2.127 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164617830 719016039 /nfs/dbraw/zinc/01/60/39/719016039.db2.gz QBTNXFDQDBBZNT-SRVKXCTJSA-N 1 0 384.814 2.491 20 0 GEADRO c1ccc([C@H]2C[NH2+]C[C@@]23CCN(c2ccc(CN4CCOCC4)cn2)C3)cc1 ZINC001164619715 719043858 /nfs/dbraw/zinc/04/38/58/719043858.db2.gz DQVWDFQZGOLARJ-FYYLOGMGSA-N 1 0 378.520 2.497 20 0 GEADRO c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2ccc(CN4CCOCC4)cn2)C3)cc1 ZINC001164619719 719044009 /nfs/dbraw/zinc/04/40/09/719044009.db2.gz DQVWDFQZGOLARJ-GGAORHGYSA-N 1 0 378.520 2.497 20 0 GEADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4cc(N5CCOCC5)ncn4)[C@H]3C2)cc1 ZINC001164622839 719059520 /nfs/dbraw/zinc/05/95/20/719059520.db2.gz IYMBDTSLFCOZMT-UXHICEINSA-N 1 0 379.508 2.414 20 0 GEADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccnc(N5CCOCC5)n4)[C@H]3C2)cc1 ZINC001164626682 719087253 /nfs/dbraw/zinc/08/72/53/719087253.db2.gz INPKNRMQBSQXGH-UXHICEINSA-N 1 0 379.508 2.414 20 0 GEADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001164625112 719115638 /nfs/dbraw/zinc/11/56/38/719115638.db2.gz GNEZRYAEUYYBGK-ONGXEEELSA-N 1 0 392.809 2.365 20 0 GEADRO C[NH+]1CCN(c2ccc(N3CCC(n4c5ccccc5[nH]c4=O)CC3)nn2)CC1 ZINC001164621202 719127281 /nfs/dbraw/zinc/12/72/81/719127281.db2.gz LSKRIYKAPNMDCQ-UHFFFAOYSA-N 1 0 393.495 2.125 20 0 GEADRO CS(=O)(=O)c1cc(C(F)(F)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)cnc1Cl ZINC001164621216 719127346 /nfs/dbraw/zinc/12/73/46/719127346.db2.gz LXUVTGJKJLINQR-KOLCDFICSA-N 1 0 397.850 2.197 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164630053 719136415 /nfs/dbraw/zinc/13/64/15/719136415.db2.gz FYASZNCDIAZWQR-CQSZACIVSA-N 1 0 382.798 2.293 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncc2ccn(S(=O)(=O)c3ccccc3)c2n1 ZINC001164638757 719231774 /nfs/dbraw/zinc/23/17/74/719231774.db2.gz OVVPZWJUMPBTFJ-HUUCEWRRSA-N 1 0 385.493 2.197 20 0 GEADRO O=C1CCCN1[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@H]2CCCO[C@H]21 ZINC001164653170 719304658 /nfs/dbraw/zinc/30/46/58/719304658.db2.gz OVIRXVGJGLRGKD-WOIUINJBSA-N 1 0 384.524 2.284 20 0 GEADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C[C@@H]21 ZINC001164666269 719382772 /nfs/dbraw/zinc/38/27/72/719382772.db2.gz KDHHTNWZNSZLCP-LSDHHAIUSA-N 1 0 384.871 2.047 20 0 GEADRO Fc1ccc(CN2CCOCC23CCN(c2ncc4c(n2)C[NH2+]C4)CC3)cc1 ZINC001164674508 719507229 /nfs/dbraw/zinc/50/72/29/719507229.db2.gz YSIIEDWEMNDYJW-UHFFFAOYSA-N 1 0 383.471 2.090 20 0 GEADRO COC(=O)c1c(Cl)ccnc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682539 719605987 /nfs/dbraw/zinc/60/59/87/719605987.db2.gz DRFGKCPRYYMEAV-UHFFFAOYSA-N 1 0 377.876 2.193 20 0 GEADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3ncsc32)c2c1CC[NH2+]C2 ZINC001164684639 719623442 /nfs/dbraw/zinc/62/34/42/719623442.db2.gz VQUPINGPABBCHW-UHFFFAOYSA-N 1 0 377.905 2.411 20 0 GEADRO COc1nc(-c2ccccc2)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681584 719626950 /nfs/dbraw/zinc/62/69/50/719626950.db2.gz INENNBOQAJXNPT-UHFFFAOYSA-N 1 0 393.495 2.219 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(OC)cc3)nn1)CC2 ZINC001164689640 719738856 /nfs/dbraw/zinc/73/88/56/719738856.db2.gz JQKZESKPGAHFLA-UHFFFAOYSA-N 1 0 395.507 2.333 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(Cl)c(C(N)=O)n1)C2 ZINC001164811741 720079483 /nfs/dbraw/zinc/07/94/83/720079483.db2.gz PNLNDMOSDULUGX-AUUYWEPGSA-N 1 0 378.904 2.019 20 0 GEADRO CCOC(=O)c1cnc(C)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164813592 720095805 /nfs/dbraw/zinc/09/58/05/720095805.db2.gz UGTQUCICPGBDHA-LAUBAEHRSA-N 1 0 388.512 2.146 20 0 GEADRO 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Cn1ccc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981447 722104754 /nfs/dbraw/zinc/10/47/54/722104754.db2.gz LNFHJJOMHBETSP-MJGOQNOKSA-N 1 0 378.480 2.091 20 0 GEADRO CCOC(=O)c1cccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164970900 722109909 /nfs/dbraw/zinc/10/99/09/722109909.db2.gz AMBOORDLIZEDIY-ICSRJNTNSA-N 1 0 396.491 2.381 20 0 GEADRO COC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164973116 722111462 /nfs/dbraw/zinc/11/14/62/722111462.db2.gz GPUNIJFVZJYZNC-QUCCMNQESA-N 1 0 396.491 2.299 20 0 GEADRO CCN(CC)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164976049 722130617 /nfs/dbraw/zinc/13/06/17/722130617.db2.gz GTVAMMAYJKYSLH-VQTJNVASSA-N 1 0 396.539 2.445 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cncc(N5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164976974 722131898 /nfs/dbraw/zinc/13/18/98/722131898.db2.gz HKZBZNWNACNCTK-VQTJNVASSA-N 1 0 394.523 2.199 20 0 GEADRO c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nnc2c1 ZINC001164981745 722145429 /nfs/dbraw/zinc/14/54/29/722145429.db2.gz QFUINWWGXRGPEH-YLJYHZDGSA-N 1 0 376.464 2.147 20 0 GEADRO NS(=O)(=O)c1ccnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994734 722210738 /nfs/dbraw/zinc/21/07/38/722210738.db2.gz CXDPOKYDNVUREI-LJQANCHMSA-N 1 0 390.484 2.113 20 0 GEADRO COCCO[C@H]1CCN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]1Cc1cnn(C)c1 ZINC001164999043 722224720 /nfs/dbraw/zinc/22/47/20/722224720.db2.gz HGCUWZLRTMULNS-RTWAWAEBSA-N 1 0 399.539 2.264 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc3c1C(=O)OC3(C)C)CCC2 ZINC001165000238 722252681 /nfs/dbraw/zinc/25/26/81/722252681.db2.gz MORVLSAVIYDGLK-UHFFFAOYSA-N 1 0 399.495 2.172 20 0 GEADRO CSc1cc(C)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165002934 722253254 /nfs/dbraw/zinc/25/32/54/722253254.db2.gz XRTNZIZNERGDEQ-UHFFFAOYSA-N 1 0 376.530 2.192 20 0 GEADRO COc1cccc2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc21 ZINC001165001570 722254272 /nfs/dbraw/zinc/25/42/72/722254272.db2.gz BYNLZNYCBCXUDO-UHFFFAOYSA-N 1 0 396.495 2.323 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3ccncc3)ncn1)CCC2 ZINC001165004483 722256663 /nfs/dbraw/zinc/25/66/63/722256663.db2.gz SHNDPCPVFVIAOR-UHFFFAOYSA-N 1 0 393.495 2.224 20 0 GEADRO CCc1c(Cl)ncnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165005021 722256877 /nfs/dbraw/zinc/25/68/77/722256877.db2.gz ZYRPZFQLWQNJAT-UHFFFAOYSA-N 1 0 378.908 2.377 20 0 GEADRO CC[C@@H]([NH2+]CCNc1cnccn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481645822 531388304 /nfs/dbraw/zinc/38/83/04/531388304.db2.gz WKZZIPXVCQVLDT-CQSZACIVSA-N 1 0 383.905 2.191 20 0 GEADRO CCSc1nnc(NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000531584560 531411785 /nfs/dbraw/zinc/41/17/85/531411785.db2.gz SEMDNHMRLLZEEI-ZDUSSCGKSA-N 1 0 384.575 2.282 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000151750498 531519547 /nfs/dbraw/zinc/51/95/47/531519547.db2.gz ZTVPRTBTYFEUET-CYBMUJFWSA-N 1 0 382.302 2.306 20 0 GEADRO CC[C@@H](NC(=O)CSc1nnnn1CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000151659841 531515482 /nfs/dbraw/zinc/51/54/82/531515482.db2.gz LHQBSZPVAGNAJF-CQSZACIVSA-N 1 0 382.921 2.248 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000151493804 531505793 /nfs/dbraw/zinc/50/57/93/531505793.db2.gz CXDZQNOWERFLMY-UHIISALHSA-N 1 0 378.416 2.048 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000151566641 531510166 /nfs/dbraw/zinc/51/01/66/531510166.db2.gz MGMYMOSIGXSYNW-STQMWFEESA-N 1 0 397.317 2.267 20 0 GEADRO CNC(=O)CN1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000151971542 531526084 /nfs/dbraw/zinc/52/60/84/531526084.db2.gz WHSSEISLHKALMF-MRXNPFEDSA-N 1 0 384.293 2.376 20 0 GEADRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000152114604 531530717 /nfs/dbraw/zinc/53/07/17/531530717.db2.gz JOETXZKYYOOPMG-SFHVURJKSA-N 1 0 388.961 2.255 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000152182662 531535605 /nfs/dbraw/zinc/53/56/05/531535605.db2.gz UNZRZKPETXTYDM-UHFFFAOYSA-N 1 0 386.905 2.460 20 0 GEADRO C[C@@H](NC(=O)N(C)CCc1ccc(Br)cc1)[C@H]1CN(C)CCO1 ZINC000152640755 531563230 /nfs/dbraw/zinc/56/32/30/531563230.db2.gz UIYFAZNGVSVQQY-CZUORRHYSA-N 1 0 384.318 2.352 20 0 GEADRO C[C@H](NC(=O)N(C)CCc1ccc(Br)cc1)[C@@H]1CN(C)CCO1 ZINC000152640468 531563734 /nfs/dbraw/zinc/56/37/34/531563734.db2.gz UIYFAZNGVSVQQY-BBRMVZONSA-N 1 0 384.318 2.352 20 0 GEADRO [NH3+]C1(C(=O)NCCOc2cccc(Br)c2)Cc2ccccc2C1 ZINC000152794018 531571418 /nfs/dbraw/zinc/57/14/18/531571418.db2.gz ZFKQVDHLANDHJS-UHFFFAOYSA-N 1 0 375.266 2.440 20 0 GEADRO COC1(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000152874628 531576125 /nfs/dbraw/zinc/57/61/25/531576125.db2.gz CZHSIQXRZDNKBY-HNNXBMFYSA-N 1 0 383.286 2.118 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)CCCCOc1ccc(Br)cc1 ZINC000152946605 531580262 /nfs/dbraw/zinc/58/02/62/531580262.db2.gz RTQAMEDNFRCQBC-QGZVFWFLSA-N 1 0 387.318 2.427 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1=O ZINC000153032107 531584460 /nfs/dbraw/zinc/58/44/60/531584460.db2.gz MQFSSOIDPBRLOU-BXUZGUMPSA-N 1 0 383.290 2.096 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1=O ZINC000153032242 531584640 /nfs/dbraw/zinc/58/46/40/531584640.db2.gz MQFSSOIDPBRLOU-RISCZKNCSA-N 1 0 383.290 2.096 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000153284948 531593735 /nfs/dbraw/zinc/59/37/35/531593735.db2.gz UEVOIOHPDQHLHH-UHFFFAOYSA-N 1 0 395.319 2.086 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153458303 531600801 /nfs/dbraw/zinc/60/08/01/531600801.db2.gz RCUFARGEBZHLCC-XJKCOSOUSA-N 1 0 396.329 2.412 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000153710694 531608240 /nfs/dbraw/zinc/60/82/40/531608240.db2.gz MXMRWFBTHDNTMT-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO C[NH+](C)Cc1ccccc1NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000024810857 531608395 /nfs/dbraw/zinc/60/83/95/531608395.db2.gz UMDZUMVOYXOIGW-UHFFFAOYSA-N 1 0 380.242 2.472 20 0 GEADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@H+](Cc2cccs2)C2CC2)c1 ZINC000025953151 531615667 /nfs/dbraw/zinc/61/56/67/531615667.db2.gz HXVNHIAJJONZJJ-UHFFFAOYSA-N 1 0 379.507 2.389 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2ncnc3ccsc32)C1 ZINC000026962939 531621950 /nfs/dbraw/zinc/62/19/50/531621950.db2.gz ZPMUUGAUHAEFPF-ZDUSSCGKSA-N 1 0 380.539 2.256 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000154669377 531626596 /nfs/dbraw/zinc/62/65/96/531626596.db2.gz NZENAUJEYBRGFR-WCQYABFASA-N 1 0 382.302 2.082 20 0 GEADRO C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1cncs1 ZINC000154822447 531635212 /nfs/dbraw/zinc/63/52/12/531635212.db2.gz ABCYOSSGPQCQNQ-CQSZACIVSA-N 1 0 381.523 2.156 20 0 GEADRO C[C@H](CC(=O)NCCNC(=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000154868641 531637478 /nfs/dbraw/zinc/63/74/78/531637478.db2.gz MIQBBEYNJIOGER-CYBMUJFWSA-N 1 0 396.329 2.321 20 0 GEADRO C[C@@H](NC(=O)CNC(=O)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000155046231 531651679 /nfs/dbraw/zinc/65/16/79/531651679.db2.gz XJFOJAQAUDWRQG-GFCCVEGCSA-N 1 0 384.318 2.271 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000155093169 531655986 /nfs/dbraw/zinc/65/59/86/531655986.db2.gz QYQUUQKOBKKBPH-LSDHHAIUSA-N 1 0 397.361 2.392 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000041719862 531667155 /nfs/dbraw/zinc/66/71/55/531667155.db2.gz WCKVEZZDLARPLF-UHFFFAOYSA-N 1 0 387.311 2.076 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000041640302 531667828 /nfs/dbraw/zinc/66/78/28/531667828.db2.gz DPCRTBBDYQROIF-LBPRGKRZSA-N 1 0 387.311 2.074 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000041685009 531667906 /nfs/dbraw/zinc/66/79/06/531667906.db2.gz YLJFVNCFNJWNCS-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000042917667 531673836 /nfs/dbraw/zinc/67/38/36/531673836.db2.gz GOLHRXHOCXTBHR-GFCCVEGCSA-N 1 0 398.301 2.021 20 0 GEADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000155744181 531698247 /nfs/dbraw/zinc/69/82/47/531698247.db2.gz CKJQPPYKXIDQNJ-OAHLLOKOSA-N 1 0 380.432 2.488 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)COc2ccc(I)cc2)CC1 ZINC000045427561 531692523 /nfs/dbraw/zinc/69/25/23/531692523.db2.gz NAKJHVWCHLDIKM-UHFFFAOYSA-N 1 0 388.249 2.223 20 0 GEADRO O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155651739 531693709 /nfs/dbraw/zinc/69/37/09/531693709.db2.gz LJFHNLVPTUOMJD-LBPRGKRZSA-N 1 0 377.432 2.464 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000156251807 531725462 /nfs/dbraw/zinc/72/54/62/531725462.db2.gz SSFMWOQODCORNI-OAHLLOKOSA-N 1 0 387.571 2.139 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1cccc(I)c1 ZINC000048284903 531728066 /nfs/dbraw/zinc/72/80/66/531728066.db2.gz SZUZHHZNQGLMBR-UHFFFAOYSA-N 1 0 388.249 2.133 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)COc2ccc(F)cc2Br)CC1 ZINC000048426597 531730104 /nfs/dbraw/zinc/73/01/04/531730104.db2.gz JSVUUJJNXYLRCG-UHFFFAOYSA-N 1 0 389.265 2.148 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)[NH+]1CCC(C)CC1 ZINC000156095901 531715261 /nfs/dbraw/zinc/71/52/61/531715261.db2.gz VQSXDHFQCPTOQN-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000156094551 531715355 /nfs/dbraw/zinc/71/53/55/531715355.db2.gz URZFFLOYACZAQZ-UHFFFAOYSA-N 1 0 376.682 2.499 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000156120524 531717254 /nfs/dbraw/zinc/71/72/54/531717254.db2.gz ZJKUJZAYJRCPCN-LLVKDONJSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000156174418 531718392 /nfs/dbraw/zinc/71/83/92/531718392.db2.gz UJURRUJXZZGYHK-CMPLNLGQSA-N 1 0 389.315 2.052 20 0 GEADRO COc1cc(CNC(=O)[C@@H]([NH3+])CCSC)cc(Br)c1OC ZINC000157263739 531736854 /nfs/dbraw/zinc/73/68/54/531736854.db2.gz GTNLMTDNCSLFBD-NSHDSACASA-N 1 0 377.304 2.163 20 0 GEADRO CC(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000050991008 531738549 /nfs/dbraw/zinc/73/85/49/531738549.db2.gz GQMMCIIJHVAHJD-CYBMUJFWSA-N 1 0 396.329 2.397 20 0 GEADRO O=C(c1cc(Br)ccc1F)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052920105 531752924 /nfs/dbraw/zinc/75/29/24/531752924.db2.gz JTBPYNFLANOODP-UHFFFAOYSA-N 1 0 384.293 2.442 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000157806974 531755033 /nfs/dbraw/zinc/75/50/33/531755033.db2.gz HTGOWNSWOOZFMD-PBHICJAKSA-N 1 0 396.329 2.020 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000053212825 531757093 /nfs/dbraw/zinc/75/70/93/531757093.db2.gz HEGYOHAGTMFPHO-INIZCTEOSA-N 1 0 394.313 2.404 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000052827916 531750335 /nfs/dbraw/zinc/75/03/35/531750335.db2.gz PBGFEZMBIOLGPN-AWEZNQCLSA-N 1 0 380.432 2.389 20 0 GEADRO O=C([C@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)C1)N1CCOCC1 ZINC000054994044 531780534 /nfs/dbraw/zinc/78/05/34/531780534.db2.gz IGLWPMWSXNHWEN-HNNXBMFYSA-N 1 0 397.313 2.399 20 0 GEADRO C[C@H]1CN(C(=O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000158203752 531768304 /nfs/dbraw/zinc/76/83/04/531768304.db2.gz XOUPRRSIORNWIE-STQMWFEESA-N 1 0 375.296 2.424 20 0 GEADRO C[C@@H]1CN(C(=O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000158203615 531769955 /nfs/dbraw/zinc/76/99/55/531769955.db2.gz XOUPRRSIORNWIE-BETUJISGSA-N 1 0 375.296 2.424 20 0 GEADRO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCc2ccc(Br)cc21 ZINC000158412171 531777795 /nfs/dbraw/zinc/77/77/95/531777795.db2.gz KPYWNFLFUXJWSE-UHFFFAOYSA-N 1 0 376.258 2.168 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000054506950 531779131 /nfs/dbraw/zinc/77/91/31/531779131.db2.gz DOLZOOIYIGTAQA-UHFFFAOYSA-N 1 0 387.933 2.287 20 0 GEADRO C[NH+](C)CCNC(=O)CCCOc1ccc(I)cc1 ZINC000056967422 531816117 /nfs/dbraw/zinc/81/61/17/531816117.db2.gz QAGOIAXQKOPUAX-UHFFFAOYSA-N 1 0 376.238 2.128 20 0 GEADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCn2cc(Br)ccc2=O)C1 ZINC000161669498 531833087 /nfs/dbraw/zinc/83/30/87/531833087.db2.gz FUFIWZLLGRHOOU-CQSZACIVSA-N 1 0 384.318 2.095 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000161647546 531834480 /nfs/dbraw/zinc/83/44/80/531834480.db2.gz XYZSDLHRPOMNHR-ZDUSSCGKSA-N 1 0 387.933 2.419 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000162195569 531838219 /nfs/dbraw/zinc/83/82/19/531838219.db2.gz NTWSKVLPOCKMAR-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO CN(CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C(=O)c1ccc(Br)o1 ZINC000058919665 531839633 /nfs/dbraw/zinc/83/96/33/531839633.db2.gz RCERKPQRCSCHBD-ZDUSSCGKSA-N 1 0 398.301 2.201 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cncs1 ZINC000162934264 531852376 /nfs/dbraw/zinc/85/23/76/531852376.db2.gz FNLIPCUAUPNWMP-HIFRSBDPSA-N 1 0 381.523 2.451 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000060554866 531845711 /nfs/dbraw/zinc/84/57/11/531845711.db2.gz IJVYASLCFMRAQR-QWHCGFSZSA-N 1 0 387.933 2.098 20 0 GEADRO 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NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172424962 531952871 /nfs/dbraw/zinc/95/28/71/531952871.db2.gz GQUDBWUVFGIDPW-QGZVFWFLSA-N 1 0 396.329 2.020 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2ccc(Br)s2)CCOCC1 ZINC000114021201 531954867 /nfs/dbraw/zinc/95/48/67/531954867.db2.gz WDUYLUQKLHKVGD-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C)cc1Br ZINC000120776055 531994147 /nfs/dbraw/zinc/99/41/47/531994147.db2.gz REVQJYPXZGVEIV-BZNIZROVSA-N 1 0 388.306 2.131 20 0 GEADRO CC(C)OCCN1CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000173168412 531991268 /nfs/dbraw/zinc/99/12/68/531991268.db2.gz ZPIQKJZLGFGUNX-INIZCTEOSA-N 1 0 384.318 2.018 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000173227741 531995646 /nfs/dbraw/zinc/99/56/46/531995646.db2.gz YNWBJGQTPARSHG-OLZOCXBDSA-N 1 0 380.286 2.391 20 0 GEADRO O=C(NCc1cc2c(c(Br)c1)OCO2)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000120859044 531998117 /nfs/dbraw/zinc/99/81/17/531998117.db2.gz 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532019931 /nfs/dbraw/zinc/01/99/31/532019931.db2.gz PFADLJXWYUYGEU-ZDUSSCGKSA-N 1 0 384.889 2.190 20 0 GEADRO C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000173636960 532024654 /nfs/dbraw/zinc/02/46/54/532024654.db2.gz RSSJKYYPLKJRFT-UHFFFAOYSA-N 1 0 385.917 2.405 20 0 GEADRO CCOCCN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121471977 532030511 /nfs/dbraw/zinc/03/05/11/532030511.db2.gz QODHXODCKQTELI-UHFFFAOYSA-N 1 0 397.360 2.244 20 0 GEADRO CN(C(=O)c1ccc(Br)cc1-n1cncn1)C1CC[NH+](C)CC1 ZINC000121491467 532032576 /nfs/dbraw/zinc/03/25/76/532032576.db2.gz UOKBUNIUJDDRFP-UHFFFAOYSA-N 1 0 378.274 2.196 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1=O ZINC000173744152 532031077 /nfs/dbraw/zinc/03/10/77/532031077.db2.gz CBTYVYLFQCIZCT-IUODEOHRSA-N 1 0 381.929 2.403 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000173815646 532035953 /nfs/dbraw/zinc/03/59/53/532035953.db2.gz WCEFGOWSZIRSOH-NSHDSACASA-N 1 0 375.254 2.423 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)NCCNc2ncc(Cl)cc2Cl)n1 ZINC000173925010 532042612 /nfs/dbraw/zinc/04/26/12/532042612.db2.gz CHTIXDDOZPOWGG-UHFFFAOYSA-N 1 0 386.287 2.380 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000121775137 532046263 /nfs/dbraw/zinc/04/62/63/532046263.db2.gz GWEQIHKKVVEDDB-ZDUSSCGKSA-N 1 0 391.940 2.339 20 0 GEADRO CC[C@H](CO)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000174129986 532052214 /nfs/dbraw/zinc/05/22/14/532052214.db2.gz OYDQLQPAXPFXSR-UONOGXRCSA-N 1 0 384.318 2.165 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000174133687 532052246 /nfs/dbraw/zinc/05/22/46/532052246.db2.gz QJERNIMFLWEXNZ-CABCVRRESA-N 1 0 377.312 2.122 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000174133276 532052276 /nfs/dbraw/zinc/05/22/76/532052276.db2.gz SUPNFGJAIJSPAX-HNNXBMFYSA-N 1 0 395.301 2.388 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000174157795 532053282 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GEADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000122513494 532072767 /nfs/dbraw/zinc/07/27/67/532072767.db2.gz KIQRCWCPNYBGJE-HZPDHXFCSA-N 1 0 394.313 2.258 20 0 GEADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CNC(=O)c1ccc(Br)o1)C2 ZINC000174743649 532075967 /nfs/dbraw/zinc/07/59/67/532075967.db2.gz HLQAMVCETPZNHX-QWHCGFSZSA-N 1 0 398.301 2.246 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2Br)C1 ZINC000122578229 532075961 /nfs/dbraw/zinc/07/59/61/532075961.db2.gz WWCHCBBJPUZVRT-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)C2 ZINC000174744092 532076162 /nfs/dbraw/zinc/07/61/62/532076162.db2.gz YCAAUCSWRNYXLW-UONOGXRCSA-N 1 0 385.917 2.075 20 0 GEADRO CC[C@@H]1CN(CC(=O)Nc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000122767327 532082193 /nfs/dbraw/zinc/08/21/93/532082193.db2.gz DECCFBZKOXJYCQ-RISCZKNCSA-N 1 0 387.265 2.289 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174900807 532082217 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C[C@H]1C[C@H](N(C)C(=O)CNC(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000175101616 532089315 /nfs/dbraw/zinc/08/93/15/532089315.db2.gz DJPVDOKMXTZSRK-SWLSCSKDSA-N 1 0 382.302 2.120 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)CNC(=O)c2ccc(Br)s2)CC[N@@H+]1C ZINC000175099200 532089333 /nfs/dbraw/zinc/08/93/33/532089333.db2.gz WLBZJPLQKFVBEN-WDEREUQCSA-N 1 0 388.331 2.182 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(I)c1 ZINC000123073283 532091912 /nfs/dbraw/zinc/09/19/12/532091912.db2.gz NPMQLNVRMDYKNS-GXFFZTMASA-N 1 0 394.278 2.182 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000123336780 532099305 /nfs/dbraw/zinc/09/93/05/532099305.db2.gz JGFKUDCUUVPEKT-ZACCUICWSA-N 1 0 375.288 2.019 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175234153 532095401 /nfs/dbraw/zinc/09/54/01/532095401.db2.gz TUBUAOGNZDERNG-UKRRQHHQSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@H]1C[C@@H](N(C)Cc2nnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000123533891 532101000 /nfs/dbraw/zinc/10/10/00/532101000.db2.gz RSWHBVSZZQMHEK-STQMWFEESA-N 1 0 379.306 2.339 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000175450150 532103909 /nfs/dbraw/zinc/10/39/09/532103909.db2.gz GDHCOZAFTVWYNI-UHFFFAOYSA-N 1 0 380.432 2.272 20 0 GEADRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000175440516 532104451 /nfs/dbraw/zinc/10/44/51/532104451.db2.gz MCNHPBBWPOCBHF-ZIAGYGMSSA-N 1 0 384.933 2.476 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000175443332 532104474 /nfs/dbraw/zinc/10/44/74/532104474.db2.gz IUJLAGDBSHVUJS-CABCVRRESA-N 1 0 382.302 2.168 20 0 GEADRO Brc1cc2c(cc1CN1CC[NH+](C3CCOCC3)CC1)OCO2 ZINC000175491572 532105229 /nfs/dbraw/zinc/10/52/29/532105229.db2.gz WUDOPHWUDWXCIM-UHFFFAOYSA-N 1 0 383.286 2.474 20 0 GEADRO Cc1nc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)no1 ZINC000175699519 532111728 /nfs/dbraw/zinc/11/17/28/532111728.db2.gz UTKOSSWGAWQWIJ-UHFFFAOYSA-N 1 0 396.289 2.414 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000123833974 532108633 /nfs/dbraw/zinc/10/86/33/532108633.db2.gz YYFSIEWMPPHNHF-QGZVFWFLSA-N 1 0 385.302 2.133 20 0 GEADRO CCCS(=O)(=O)CC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123838368 532108756 /nfs/dbraw/zinc/10/87/56/532108756.db2.gz UBYPTTLFEJSCNL-CXAGYDPISA-N 1 0 390.908 2.413 20 0 GEADRO C[C@@H](CNC(=O)CCn1cc(Br)ccc1=O)C[NH+]1CCCCC1 ZINC000123839268 532109004 /nfs/dbraw/zinc/10/90/04/532109004.db2.gz OARHXDFNPDXLPN-AWEZNQCLSA-N 1 0 384.318 2.239 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)CN2CSCC2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123861421 532109902 /nfs/dbraw/zinc/10/99/02/532109902.db2.gz RKJYXTISTZCRCI-PXAZEXFGSA-N 1 0 385.892 2.121 20 0 GEADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cc(S(C)(=O)=O)cs2)c1 ZINC000123896767 532111123 /nfs/dbraw/zinc/11/11/23/532111123.db2.gz YCSULFGPQIJYLY-UHFFFAOYSA-N 1 0 382.507 2.022 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000124351606 532118848 /nfs/dbraw/zinc/11/88/48/532118848.db2.gz UYQNBUBORZWMEQ-IUCAKERBSA-N 1 0 383.258 2.475 20 0 GEADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000175989893 532121967 /nfs/dbraw/zinc/12/19/67/532121967.db2.gz XHRPEMYOCREGIC-UHFFFAOYSA-N 1 0 392.656 2.392 20 0 GEADRO C[C@H]1CCC[C@](CNC(=O)CCNS(=O)(=O)c2cccs2)([NH+](C)C)C1 ZINC000124482243 532122365 /nfs/dbraw/zinc/12/23/65/532122365.db2.gz CBPBFZOOAGOYFF-YOEHRIQHSA-N 1 0 387.571 2.043 20 0 GEADRO O=C(NCc1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176030008 532122884 /nfs/dbraw/zinc/12/28/84/532122884.db2.gz QYCHSSKDZGOWLI-AWEZNQCLSA-N 1 0 382.302 2.313 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2cccnc2Br)ccn1 ZINC000124030239 532112869 /nfs/dbraw/zinc/11/28/69/532112869.db2.gz DGSGECUHGIPMBR-UHFFFAOYSA-N 1 0 379.258 2.110 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000175732727 532112928 /nfs/dbraw/zinc/11/29/28/532112928.db2.gz VPNYTSPUBRUDMH-LLVKDONJSA-N 1 0 378.270 2.362 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000124145714 532114472 /nfs/dbraw/zinc/11/44/72/532114472.db2.gz NMYCTNGAGSAKQI-ZFWWWQNUSA-N 1 0 385.302 2.398 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000175790936 532115043 /nfs/dbraw/zinc/11/50/43/532115043.db2.gz DIQMTOXTEZTXJL-LBPRGKRZSA-N 1 0 376.284 2.405 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000175841372 532116032 /nfs/dbraw/zinc/11/60/32/532116032.db2.gz XFMVRKYRVYGATJ-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000124664727 532127357 /nfs/dbraw/zinc/12/73/57/532127357.db2.gz UCFUHRHIZHKTFC-UHFFFAOYSA-N 1 0 388.555 2.071 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000125132897 532132961 /nfs/dbraw/zinc/13/29/61/532132961.db2.gz VGTDISNBEXEZEN-QWRGUYRKSA-N 1 0 377.304 2.314 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(Cl)c1 ZINC000125385588 532135108 /nfs/dbraw/zinc/13/51/08/532135108.db2.gz NEIKQQZKMTZVDT-LLVKDONJSA-N 1 0 376.906 2.381 20 0 GEADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000127422589 532153740 /nfs/dbraw/zinc/15/37/40/532153740.db2.gz XMZZCAFLINSVJX-CHWSQXEVSA-N 1 0 378.947 2.448 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000176895117 532154285 /nfs/dbraw/zinc/15/42/85/532154285.db2.gz VVHDIDCFSZJKNP-GFCCVEGCSA-N 1 0 387.274 2.264 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000127520453 532155059 /nfs/dbraw/zinc/15/50/59/532155059.db2.gz WLUJCNUJQOBKEO-GFCCVEGCSA-N 1 0 376.810 2.448 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000127543434 532155105 /nfs/dbraw/zinc/15/51/05/532155105.db2.gz FGIHKEVUKRDDDW-NSHDSACASA-N 1 0 379.320 2.438 20 0 GEADRO Cc1cc(Br)cc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000126088216 532145366 /nfs/dbraw/zinc/14/53/66/532145366.db2.gz MPHRBVBGZIIPMY-UHFFFAOYSA-N 1 0 396.329 2.288 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000176697646 532146582 /nfs/dbraw/zinc/14/65/82/532146582.db2.gz AXEWMGVKLBEOGR-LSDHHAIUSA-N 1 0 382.302 2.168 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000177159088 532163589 /nfs/dbraw/zinc/16/35/89/532163589.db2.gz YGMJAZIECCYPSJ-IUODEOHRSA-N 1 0 394.313 2.310 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000177771059 532182459 /nfs/dbraw/zinc/18/24/59/532182459.db2.gz FNJOCOWVHGIGDE-OWJWWREXSA-N 1 0 380.535 2.194 20 0 GEADRO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000177452010 532171737 /nfs/dbraw/zinc/17/17/37/532171737.db2.gz QUKNGFIVEWUAPC-HNNXBMFYSA-N 1 0 389.315 2.354 20 0 GEADRO [NH3+][C@@H](CNS(=O)(=O)c1ccc(Br)cc1Br)C1CC1 ZINC000129286936 532175765 /nfs/dbraw/zinc/17/57/65/532175765.db2.gz DOEFJMDTODWJTJ-JTQLQIEISA-N 1 0 398.120 2.227 20 0 GEADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000129360736 532177011 /nfs/dbraw/zinc/17/70/11/532177011.db2.gz SEJILYVPJKZUEN-LBPRGKRZSA-N 1 0 380.341 2.049 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000130467288 532192272 /nfs/dbraw/zinc/19/22/72/532192272.db2.gz RCDYWSFWFOEFHZ-MELADBBJSA-N 1 0 387.571 2.029 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000131358904 532196465 /nfs/dbraw/zinc/19/64/65/532196465.db2.gz LCHUZTZMJINQHN-MEDUHNTESA-N 1 0 390.297 2.131 20 0 GEADRO C[NH+]1CCN(CCCSc2nnnn2-c2ccc(Br)cc2)CC1 ZINC000131581655 532200382 /nfs/dbraw/zinc/20/03/82/532200382.db2.gz KXLKZOYDLSNECL-UHFFFAOYSA-N 1 0 397.346 2.154 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000129903234 532186024 /nfs/dbraw/zinc/18/60/24/532186024.db2.gz OIPALXRTBKAAKB-GJZGRUSLSA-N 1 0 384.567 2.467 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cc(Cl)ccc1Br ZINC000129929964 532187314 /nfs/dbraw/zinc/18/73/14/532187314.db2.gz ZSPNLDALEZVYGS-LBPRGKRZSA-N 1 0 388.737 2.397 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000129903438 532187326 /nfs/dbraw/zinc/18/73/26/532187326.db2.gz OIPALXRTBKAAKB-CABCVRRESA-N 1 0 384.567 2.467 20 0 GEADRO C[C@H](CNC(=O)c1cc(F)c(F)cc1Br)C[NH+]1CCN(C)CC1 ZINC000130029976 532187893 /nfs/dbraw/zinc/18/78/93/532187893.db2.gz DQSXIWOITRLRJD-LLVKDONJSA-N 1 0 390.272 2.341 20 0 GEADRO CC1CC[NH+](CCCNC(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000177976169 532188574 /nfs/dbraw/zinc/18/85/74/532188574.db2.gz QDALIAQHDMERDD-UHFFFAOYSA-N 1 0 385.306 2.391 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)c(F)c1 ZINC000130218598 532189744 /nfs/dbraw/zinc/18/97/44/532189744.db2.gz VLXKNWPMMRBEFB-UHFFFAOYSA-N 1 0 386.309 2.227 20 0 GEADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000178957187 532218926 /nfs/dbraw/zinc/21/89/26/532218926.db2.gz STNCZGJTJPVFRG-SSDOTTSWSA-N 1 0 375.210 2.436 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000131984372 532207796 /nfs/dbraw/zinc/20/77/96/532207796.db2.gz NPCVKBZIKQJMAK-CQSZACIVSA-N 1 0 382.675 2.014 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000178673898 532209266 /nfs/dbraw/zinc/20/92/66/532209266.db2.gz DPGCIPBCUFAHQR-MRXNPFEDSA-N 1 0 396.329 2.417 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000178737389 532211306 /nfs/dbraw/zinc/21/13/06/532211306.db2.gz UCKLSVNNHQRPOV-SECBINFHSA-N 1 0 390.228 2.076 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1Cl ZINC000178787846 532212556 /nfs/dbraw/zinc/21/25/56/532212556.db2.gz MEQRMTJTSQPUOA-ZDUSSCGKSA-N 1 0 386.901 2.376 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178822358 532213552 /nfs/dbraw/zinc/21/35/52/532213552.db2.gz IYRYPJCPXQBGOM-LSDHHAIUSA-N 1 0 396.329 2.430 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000178827840 532213959 /nfs/dbraw/zinc/21/39/59/532213959.db2.gz WIWIBYTZSDZFCJ-OAHLLOKOSA-N 1 0 396.329 2.350 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000178919159 532217713 /nfs/dbraw/zinc/21/77/13/532217713.db2.gz NJAPPHUMYAGRLC-QMMMGPOBSA-N 1 0 387.221 2.498 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000178920822 532217843 /nfs/dbraw/zinc/21/78/43/532217843.db2.gz PWFCAVZRUPQAER-QMMMGPOBSA-N 1 0 383.695 2.141 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000178919170 532217922 /nfs/dbraw/zinc/21/79/22/532217922.db2.gz NJAPPHUMYAGRLC-MRVPVSSYSA-N 1 0 387.221 2.498 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1C(F)(F)F ZINC000178921773 532217958 /nfs/dbraw/zinc/21/79/58/532217958.db2.gz YZOBZDCPEOKSRB-SECBINFHSA-N 1 0 387.221 2.498 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000178958331 532218295 /nfs/dbraw/zinc/21/82/95/532218295.db2.gz IPGWLVQHGMTVFY-XJKSGUPXSA-N 1 0 383.945 2.307 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178955172 532218356 /nfs/dbraw/zinc/21/83/56/532218356.db2.gz AFXKXYLPCPINLM-UHFFFAOYSA-N 1 0 392.352 2.299 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCc1cc(Cl)ccc1Br ZINC000131702172 532202008 /nfs/dbraw/zinc/20/20/08/532202008.db2.gz ZPFBGJCUILOYTP-OAHLLOKOSA-N 1 0 392.725 2.257 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000131789585 532203410 /nfs/dbraw/zinc/20/34/10/532203410.db2.gz JVXRMFXXRALCCD-CYBMUJFWSA-N 1 0 376.258 2.485 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000131789822 532203702 /nfs/dbraw/zinc/20/37/02/532203702.db2.gz JVXRMFXXRALCCD-ZDUSSCGKSA-N 1 0 376.258 2.485 20 0 GEADRO COCCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000178519610 532203765 /nfs/dbraw/zinc/20/37/65/532203765.db2.gz NITMRKJOGJTFHJ-GXTWGEPZSA-N 1 0 393.265 2.436 20 0 GEADRO COCCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000178519621 532204424 /nfs/dbraw/zinc/20/44/24/532204424.db2.gz NITMRKJOGJTFHJ-TZMCWYRMSA-N 1 0 393.265 2.436 20 0 GEADRO O=C(c1ccc(Br)c(O)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000133147167 532227782 /nfs/dbraw/zinc/22/77/82/532227782.db2.gz YTZGZMLEHGMSKZ-UHFFFAOYSA-N 1 0 383.286 2.339 20 0 GEADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2sccc2Br)cc1 ZINC000133319154 532231694 /nfs/dbraw/zinc/23/16/94/532231694.db2.gz BREALXWGNJGWMY-UHFFFAOYSA-N 1 0 375.313 2.490 20 0 GEADRO C[C@@H](CC[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)[S@@](C)=O ZINC000133420737 532234551 /nfs/dbraw/zinc/23/45/51/532234551.db2.gz NYSFWIIYSNKNBP-MQNRADLISA-N 1 0 388.961 2.298 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000179531488 532234769 /nfs/dbraw/zinc/23/47/69/532234769.db2.gz JORXUFULDJUCKX-CQSZACIVSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cccnc1Br)[NH+]1CCCC1 ZINC000179531407 532235206 /nfs/dbraw/zinc/23/52/06/532235206.db2.gz WNYRFABRWSMTNU-ZDUSSCGKSA-N 1 0 383.290 2.019 20 0 GEADRO CC(C)C[C@@H](CNC(=O)c1cc(Cn2cc(Br)cn2)on1)[NH+](C)C ZINC000132837508 532222096 /nfs/dbraw/zinc/22/20/96/532222096.db2.gz CBVXANVILZHPAM-ZDUSSCGKSA-N 1 0 398.305 2.388 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000132875764 532223107 /nfs/dbraw/zinc/22/31/07/532223107.db2.gz DFQBPTVTXQRDSM-CYBMUJFWSA-N 1 0 377.913 2.031 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000133038164 532225886 /nfs/dbraw/zinc/22/58/86/532225886.db2.gz WXEUECMGNVDFLO-QWHCGFSZSA-N 1 0 380.286 2.012 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000133087485 532226556 /nfs/dbraw/zinc/22/65/56/532226556.db2.gz PNMZOMODLDHIHD-ZDUSSCGKSA-N 1 0 378.274 2.162 20 0 GEADRO C[N@H+](CCCO)C1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000179667028 532240860 /nfs/dbraw/zinc/24/08/60/532240860.db2.gz AGDQQHVZYVDKMV-UHFFFAOYSA-N 1 0 399.329 2.499 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c(Br)n1 ZINC000179730827 532242247 /nfs/dbraw/zinc/24/22/47/532242247.db2.gz MYIUBXLSHMHECQ-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000133744481 532242384 /nfs/dbraw/zinc/24/23/84/532242384.db2.gz NURIISUWZAXHJS-ZDUSSCGKSA-N 1 0 387.933 2.241 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179757920 532242884 /nfs/dbraw/zinc/24/28/84/532242884.db2.gz IDGQMYQUSQYWNS-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000179782332 532243972 /nfs/dbraw/zinc/24/39/72/532243972.db2.gz KDUIWPUTNVNLJL-ZDUSSCGKSA-N 1 0 395.301 2.117 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000133964038 532247080 /nfs/dbraw/zinc/24/70/80/532247080.db2.gz NTWKLLDDXAMCSD-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Br)nc1 ZINC000134216451 532252130 /nfs/dbraw/zinc/25/21/30/532252130.db2.gz DLOIGGVSZRPTCM-UHFFFAOYSA-N 1 0 390.285 2.390 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccnc1Br ZINC000179562514 532236049 /nfs/dbraw/zinc/23/60/49/532236049.db2.gz GZRBIVAOQDTRNE-VXGBXAGGSA-N 1 0 383.290 2.019 20 0 GEADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cccnc3Br)C2)CC1 ZINC000179626391 532238929 /nfs/dbraw/zinc/23/89/29/532238929.db2.gz OFTZGSNJCHYQBJ-CQSZACIVSA-N 1 0 381.318 2.086 20 0 GEADRO C[C@H](CN1CCOCC1)[NH2+]Cc1ncc(Br)cc1Br ZINC000135283186 532270301 /nfs/dbraw/zinc/27/03/01/532270301.db2.gz CEZMKBFOFDZFHG-SNVBAGLBSA-N 1 0 393.123 2.417 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180096798 532257927 /nfs/dbraw/zinc/25/79/27/532257927.db2.gz GUUBHNNGUGHMFV-SNVBAGLBSA-N 1 0 382.349 2.319 20 0 GEADRO CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)[NH+](C)C ZINC000134644220 532260659 /nfs/dbraw/zinc/26/06/59/532260659.db2.gz AWCSGCYXNUHRSV-KRWDZBQOSA-N 1 0 398.345 2.488 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000136258367 532283682 /nfs/dbraw/zinc/28/36/82/532283682.db2.gz RXKCJQCXAMHLKR-XNRPHZJLSA-N 1 0 397.313 2.229 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000136324422 532284248 /nfs/dbraw/zinc/28/42/48/532284248.db2.gz MUJZMBBGGBHHSA-ZDUSSCGKSA-N 1 0 398.301 2.385 20 0 GEADRO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)ccc1Cl ZINC000180971008 532287482 /nfs/dbraw/zinc/28/74/82/532287482.db2.gz PNPMQYCOEJHJMN-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO CC(C)(O)C[NH+]1CCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000181073462 532289752 /nfs/dbraw/zinc/28/97/52/532289752.db2.gz YPIYGGAXJCFXHE-MRXNPFEDSA-N 1 0 386.323 2.487 20 0 GEADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000181022284 532288984 /nfs/dbraw/zinc/28/89/84/532288984.db2.gz YTRQKGGYCDZMLR-PBHICJAKSA-N 1 0 396.329 2.033 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2cccs2)cc1 ZINC000181042302 532289077 /nfs/dbraw/zinc/28/90/77/532289077.db2.gz VYLMLYVKZUAMLF-CHWSQXEVSA-N 1 0 381.523 2.012 20 0 GEADRO O=C1NCCCN1C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000135446685 532273191 /nfs/dbraw/zinc/27/31/91/532273191.db2.gz MZHTZSNTNIPKKH-MRXNPFEDSA-N 1 0 382.302 2.362 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000181122873 532291329 /nfs/dbraw/zinc/29/13/29/532291329.db2.gz KIELCQFETQGOLE-SUMWQHHRSA-N 1 0 386.323 2.487 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cccnc1N1CCOCC1 ZINC000151248995 532308315 /nfs/dbraw/zinc/30/83/15/532308315.db2.gz OFDNCXTXUVWILG-ZDUSSCGKSA-N 1 0 380.290 2.056 20 0 GEADRO C[C@@H](Sc1nncn1C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000139981463 532293577 /nfs/dbraw/zinc/29/35/77/532293577.db2.gz AAHAHXINEOWOGB-ZIAGYGMSSA-N 1 0 379.555 2.386 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCc2ccc(Br)s2)CC1 ZINC000140374204 532294041 /nfs/dbraw/zinc/29/40/41/532294041.db2.gz RBKMQDVSZSDDKX-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000141330047 532295033 /nfs/dbraw/zinc/29/50/33/532295033.db2.gz IHFOJKASLOLAOQ-UHFFFAOYSA-N 1 0 385.258 2.018 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c(Br)n1 ZINC000181355014 532296531 /nfs/dbraw/zinc/29/65/31/532296531.db2.gz VIJIZVVDQXNAEG-UHFFFAOYSA-N 1 0 397.317 2.473 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC000181517307 532300186 /nfs/dbraw/zinc/30/01/86/532300186.db2.gz JOKXOJRJAGPEHK-UHFFFAOYSA-N 1 0 392.257 2.127 20 0 GEADRO CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1(C)C ZINC000182061874 532308579 /nfs/dbraw/zinc/30/85/79/532308579.db2.gz QUABILIJRFHHFZ-RRFJBIMHSA-N 1 0 375.556 2.312 20 0 GEADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000181681660 532305274 /nfs/dbraw/zinc/30/52/74/532305274.db2.gz DGTUSVRYPNZRSM-JSGCOSHPSA-N 1 0 380.539 2.446 20 0 GEADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000181892208 532307459 /nfs/dbraw/zinc/30/74/59/532307459.db2.gz CONFUGYBYSTIIH-AWEZNQCLSA-N 1 0 391.331 2.014 20 0 GEADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccccc1Br ZINC000181964843 532307749 /nfs/dbraw/zinc/30/77/49/532307749.db2.gz OOLGTFZZZYZVIK-XHDPSFHLSA-N 1 0 398.301 2.036 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)CCc2cc(F)ccc2Br)CC1 ZINC000182271902 532311200 /nfs/dbraw/zinc/31/12/00/532311200.db2.gz WFYQKRMXEQJXRI-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cnc(Br)c(C)c3)C2)CC1 ZINC000182422311 532312811 /nfs/dbraw/zinc/31/28/11/532312811.db2.gz PMDJLNXSZGGTRQ-OAHLLOKOSA-N 1 0 396.333 2.396 20 0 GEADRO CC(C)(C)OC(=O)CNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000182404968 532312995 /nfs/dbraw/zinc/31/29/95/532312995.db2.gz RUCAIXLUTVGARU-UHFFFAOYSA-N 1 0 383.286 2.486 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000182581953 532315042 /nfs/dbraw/zinc/31/50/42/532315042.db2.gz VDLMWISMQYYZBL-NWDGAFQWSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1cccc(Br)c1 ZINC000182574667 532315180 /nfs/dbraw/zinc/31/51/80/532315180.db2.gz GVQOSOUNMIULGX-ZDUSSCGKSA-N 1 0 394.313 2.181 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000182624400 532315430 /nfs/dbraw/zinc/31/54/30/532315430.db2.gz BLGQBAVUFTUXQS-UKRRQHHQSA-N 1 0 387.343 2.442 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182768082 532317602 /nfs/dbraw/zinc/31/76/02/532317602.db2.gz LKUOKHQTMANKKJ-CYBMUJFWSA-N 1 0 383.290 2.082 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000182803876 532317775 /nfs/dbraw/zinc/31/77/75/532317775.db2.gz DKZFEKUYDUXSIB-GXTWGEPZSA-N 1 0 375.332 2.441 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)C1 ZINC000182804591 532318000 /nfs/dbraw/zinc/31/80/00/532318000.db2.gz HQCBZEIBAWEPOM-CYBMUJFWSA-N 1 0 383.290 2.034 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000182889321 532319032 /nfs/dbraw/zinc/31/90/32/532319032.db2.gz ITMUIHMQEWKLPB-MRXNPFEDSA-N 1 0 387.977 2.265 20 0 GEADRO CC[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000183007216 532320599 /nfs/dbraw/zinc/32/05/99/532320599.db2.gz MIMCAYSZNJVLKX-YOEHRIQHSA-N 1 0 384.523 2.014 20 0 GEADRO CC1(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]CC1 ZINC000183347282 532323796 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CC(C)C(=O)NCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188688561 532349276 /nfs/dbraw/zinc/34/92/76/532349276.db2.gz YPWXTZPBABLHEV-UHFFFAOYSA-N 1 0 384.318 2.148 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cnc2ccc(Br)cn12 ZINC000188743755 532349425 /nfs/dbraw/zinc/34/94/25/532349425.db2.gz VYNHZZIMUPMPHS-CYBMUJFWSA-N 1 0 381.318 2.374 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000188912865 532350241 /nfs/dbraw/zinc/35/02/41/532350241.db2.gz SIMSPSDJGMGYEZ-UHFFFAOYSA-N 1 0 384.318 2.369 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)ncc1Cl ZINC000188942176 532350447 /nfs/dbraw/zinc/35/04/47/532350447.db2.gz WLJVAUAVUNURSU-LLVKDONJSA-N 1 0 390.709 2.464 20 0 GEADRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000189399458 532352073 /nfs/dbraw/zinc/35/20/73/532352073.db2.gz ZAHAZYCEIVJRHZ-WDEREUQCSA-N 1 0 378.441 2.209 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)no2)[C@@H](C)C1 ZINC000189547600 532352626 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O=C(Nc1ccccc1Br)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190013657 532354543 /nfs/dbraw/zinc/35/45/43/532354543.db2.gz GSVNBAGRPKBTAK-ZDUSSCGKSA-N 1 0 380.286 2.474 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(Br)n1 ZINC000190035953 532354550 /nfs/dbraw/zinc/35/45/50/532354550.db2.gz ZTPCWWWXBKTMRL-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1Br ZINC000190090891 532354795 /nfs/dbraw/zinc/35/47/95/532354795.db2.gz RBEMEYWDAKDKAC-STQMWFEESA-N 1 0 380.286 2.391 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000190243313 532355351 /nfs/dbraw/zinc/35/53/51/532355351.db2.gz UEIJKUITEGMRBH-SGMGOOAPSA-N 1 0 388.555 2.488 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000190250345 532355436 /nfs/dbraw/zinc/35/54/36/532355436.db2.gz YZNRXULZAOUOMI-UHFFFAOYSA-N 1 0 386.495 2.189 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@H](C)[C@H]1CO ZINC000190391715 532355847 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CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191255609 532360145 /nfs/dbraw/zinc/36/01/45/532360145.db2.gz NHHXTUFHKURIQN-UHFFFAOYSA-N 1 0 378.217 2.076 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCC(C)(C)c1ccccc1Br ZINC000187375819 532344179 /nfs/dbraw/zinc/34/41/79/532344179.db2.gz CATKEUVHTMPWSF-UHFFFAOYSA-N 1 0 386.334 2.340 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(I)cc1 ZINC000187421499 532344472 /nfs/dbraw/zinc/34/44/72/532344472.db2.gz RXEDBAIYHFHMNB-UHFFFAOYSA-N 1 0 389.237 2.135 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2nnc(C(F)(F)F)s2)C1 ZINC000187420111 532344504 /nfs/dbraw/zinc/34/45/04/532344504.db2.gz BWZMZOVOPPOGNH-JTQLQIEISA-N 1 0 398.476 2.122 20 0 GEADRO COC[C@@H](C)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000187469633 532344557 /nfs/dbraw/zinc/34/45/57/532344557.db2.gz NGIYORDEHACDLW-AWEZNQCLSA-N 1 0 384.318 2.288 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000187593258 532344947 /nfs/dbraw/zinc/34/49/47/532344947.db2.gz FRLGUILLDTYSIV-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621902145 532372283 /nfs/dbraw/zinc/37/22/83/532372283.db2.gz XAEUFXIESOZISJ-UHFFFAOYSA-N 1 0 386.290 2.123 20 0 GEADRO C[N@H+](CCc1cccc(Br)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000463426843 532372586 /nfs/dbraw/zinc/37/25/86/532372586.db2.gz RLUFVAFNPWVMPZ-AWEZNQCLSA-N 1 0 375.332 2.205 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647263421 532373480 /nfs/dbraw/zinc/37/34/80/532373480.db2.gz GYDOVVLPSFHDEJ-YPMHNXCESA-N 1 0 389.315 2.220 20 0 GEADRO C[N@H+](CCc1cccc(Br)c1)CC(=O)NCC(=O)OC(C)(C)C ZINC000463428212 532373471 /nfs/dbraw/zinc/37/34/71/532373471.db2.gz XYTAFCPINYNJGY-UHFFFAOYSA-N 1 0 385.302 2.381 20 0 GEADRO Cn1ncc(Br)c1CNc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000278328237 532374790 /nfs/dbraw/zinc/37/47/90/532374790.db2.gz FQRZVMRXDMPVCX-HNNXBMFYSA-N 1 0 392.301 2.244 20 0 GEADRO OC[C@H](CN1CCCCC1)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647535795 532374893 /nfs/dbraw/zinc/37/48/93/532374893.db2.gz NZYGZVXRMROMEF-UONOGXRCSA-N 1 0 377.312 2.170 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000515921371 532375008 /nfs/dbraw/zinc/37/50/08/532375008.db2.gz DLJBTPVZNICLSV-CYBMUJFWSA-N 1 0 384.318 2.254 20 0 GEADRO O[C@H](C[NH2+]C[C@H](O)COc1ccccc1Br)COc1ccccc1 ZINC000647529562 532375147 /nfs/dbraw/zinc/37/51/47/532375147.db2.gz VETFDEPIPYWUNT-CABCVRRESA-N 1 0 396.281 2.218 20 0 GEADRO COc1cc2[nH+]ccc(NCC3(C(N)=O)CCOCC3)c2cc1Br ZINC000425226084 532376032 /nfs/dbraw/zinc/37/60/32/532376032.db2.gz MLNHXFZTSNSBSP-UHFFFAOYSA-N 1 0 394.269 2.122 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c(I)c1 ZINC000590566093 532377087 /nfs/dbraw/zinc/37/70/87/532377087.db2.gz BOLNMUBRZNCNAW-QMTHXVAHSA-N 1 0 388.249 2.464 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000647568251 532377213 /nfs/dbraw/zinc/37/72/13/532377213.db2.gz JRUUSQZTIFNKQK-HNNXBMFYSA-N 1 0 396.329 2.350 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000372235930 532377797 /nfs/dbraw/zinc/37/77/97/532377797.db2.gz KFNJDCSGXNDOBI-UHFFFAOYSA-N 1 0 386.323 2.474 20 0 GEADRO COc1cc2[nH+]ccc(N[C@H](CO)c3cnn(C)c3)c2cc1Br ZINC000425241976 532378192 /nfs/dbraw/zinc/37/81/92/532378192.db2.gz BGJDYEWXGSEVJC-OAHLLOKOSA-N 1 0 377.242 2.307 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000191529073 532361298 /nfs/dbraw/zinc/36/12/98/532361298.db2.gz GFIYXQMBSPZBRG-NSHDSACASA-N 1 0 386.265 2.245 20 0 GEADRO C[NH+](C)C[C@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CCO1 ZINC000191608466 532361654 /nfs/dbraw/zinc/36/16/54/532361654.db2.gz ZHJDEBUFVDTTGW-KRWDZBQOSA-N 1 0 398.345 2.048 20 0 GEADRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cncc(Br)c2)C1=O ZINC000191639245 532361771 /nfs/dbraw/zinc/36/17/71/532361771.db2.gz NHAADSMEJDVHDI-CQSZACIVSA-N 1 0 378.274 2.346 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1=O ZINC000371906330 532361936 /nfs/dbraw/zinc/36/19/36/532361936.db2.gz TVNPPDWHNOKTEE-CORIIIEPSA-N 1 0 395.301 2.096 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC[C@@H]1[NH3+] ZINC000647007153 532363651 /nfs/dbraw/zinc/36/36/51/532363651.db2.gz ZDKLEXZRKRHQEE-NFAWXSAZSA-N 1 0 394.313 2.388 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@@H]1[NH3+] ZINC000647008368 532363726 /nfs/dbraw/zinc/36/37/26/532363726.db2.gz NNFFQEOKNYQOGT-KCXAZCMYSA-N 1 0 394.313 2.388 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)C2 ZINC000621695636 532364927 /nfs/dbraw/zinc/36/49/27/532364927.db2.gz YBGDJEFJMSXRJC-DIFFPNOSSA-N 1 0 398.276 2.048 20 0 GEADRO CCCN(C(=O)C(=O)NCc1ccsc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000647041428 532365026 /nfs/dbraw/zinc/36/50/26/532365026.db2.gz IGSPJGNZMSMTOZ-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)CC[N@@H+]1CCCOCC1 ZINC000463073061 532365148 /nfs/dbraw/zinc/36/51/48/532365148.db2.gz UPCHYYWICZAOFD-UHFFFAOYSA-N 1 0 384.318 2.350 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(=O)c3cc(Br)ccc3[nH]1)C2 ZINC000621699191 532365587 /nfs/dbraw/zinc/36/55/87/532365587.db2.gz OGSXBISLFGMGDP-BTDLBPIBSA-N 1 0 376.254 2.244 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000590001718 532365703 /nfs/dbraw/zinc/36/57/03/532365703.db2.gz FBESQBNADWMZOC-HZPDHXFCSA-N 1 0 394.313 2.355 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590012342 532365901 /nfs/dbraw/zinc/36/59/01/532365901.db2.gz RMMKYWDOZUGYON-QMTHXVAHSA-N 1 0 386.279 2.354 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1ccnnc1 ZINC000425101143 532366497 /nfs/dbraw/zinc/36/64/97/532366497.db2.gz YCCCOJBGXFFPPG-UHFFFAOYSA-N 1 0 378.274 2.489 20 0 GEADRO CC[C@H]1CN(CC(=O)N(C)CCOc2ccc(Br)cc2)CCO1 ZINC000515548563 532367946 /nfs/dbraw/zinc/36/79/46/532367946.db2.gz GZWCJKURGKXOLM-HNNXBMFYSA-N 1 0 385.302 2.397 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC1CC([NH+](C)C)C1 ZINC000590356294 532368667 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C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706685 532381303 /nfs/dbraw/zinc/38/13/03/532381303.db2.gz OSZJMTCQSHJIQJ-SNPRPXQTSA-N 1 0 399.304 2.434 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000647888458 532381785 /nfs/dbraw/zinc/38/17/85/532381785.db2.gz GNEZEGRUARFRDW-SKDRFNHKSA-N 1 0 395.294 2.310 20 0 GEADRO FC(F)(F)c1ccc(I)c(N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000590686179 532382065 /nfs/dbraw/zinc/38/20/65/532382065.db2.gz OLQXTWLAODOXIB-YUMQZZPRSA-N 1 0 383.155 2.361 20 0 GEADRO C[N@H+](CCCNS(=O)(=O)c1c[nH]nc1C(F)(F)F)Cc1ccccc1 ZINC000647892584 532382882 /nfs/dbraw/zinc/38/28/82/532382882.db2.gz KENMXRQWJIPXMG-UHFFFAOYSA-N 1 0 376.404 2.229 20 0 GEADRO Cn1ncc(Br)c1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000278531807 532383083 /nfs/dbraw/zinc/38/30/83/532383083.db2.gz RUFQRJQKCJEGCZ-RDJZCZTQSA-N 1 0 393.329 2.155 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372311947 532383310 /nfs/dbraw/zinc/38/33/10/532383310.db2.gz QBLQPPJNDKBOHS-CJNGLKHVSA-N 1 0 389.924 2.126 20 0 GEADRO Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)n1 ZINC000372305118 532383935 /nfs/dbraw/zinc/38/39/35/532383935.db2.gz MJSQAVCCNRMAGR-OAHLLOKOSA-N 1 0 395.345 2.393 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000463792212 532384086 /nfs/dbraw/zinc/38/40/86/532384086.db2.gz WBZPOOFDRXNEKT-UHFFFAOYSA-N 1 0 378.420 2.337 20 0 GEADRO CN(Cc1ccc(Cl)cc1Cl)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000647906058 532384112 /nfs/dbraw/zinc/38/41/12/532384112.db2.gz IVSSLHMGUQRVMQ-UHFFFAOYSA-N 1 0 379.309 2.119 20 0 GEADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192076464 532384905 /nfs/dbraw/zinc/38/49/05/532384905.db2.gz XXHLLCKVQKNBGI-KKUMJFAQSA-N 1 0 380.286 2.188 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)CCc1cccc(Cl)c1 ZINC000558091818 532385135 /nfs/dbraw/zinc/38/51/35/532385135.db2.gz OCPPSMVMPKBONN-UHFFFAOYSA-N 1 0 375.966 2.028 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000648142144 532385544 /nfs/dbraw/zinc/38/55/44/532385544.db2.gz KIIVXNSIFQRACK-GJZGRUSLSA-N 1 0 384.929 2.352 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccc(Cl)s1 ZINC000372325901 532385723 /nfs/dbraw/zinc/38/57/23/532385723.db2.gz REKQPBXZFDBUAT-CHWSQXEVSA-N 1 0 393.962 2.094 20 0 GEADRO CO[C@@H](C[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1)C1CC1 ZINC000425403884 532385753 /nfs/dbraw/zinc/38/57/53/532385753.db2.gz KMNPMHSIBRQLNH-KRWDZBQOSA-N 1 0 397.313 2.397 20 0 GEADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123299 532386187 /nfs/dbraw/zinc/38/61/87/532386187.db2.gz QZYHJKHSUBNRJO-ZUZCIYMTSA-N 1 0 376.254 2.115 20 0 GEADRO C[C@H]([NH3+])CNC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC000648129241 532386675 /nfs/dbraw/zinc/38/66/75/532386675.db2.gz PSAXSDQRPMHIFY-ZETCQYMHSA-N 1 0 392.179 2.126 20 0 GEADRO CC[C@H]([NH2+][C@H](CCOC)COC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000516605557 532388280 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GEADRO Cn1nc2cc(Br)ccc2c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000648269712 532392808 /nfs/dbraw/zinc/39/28/08/532392808.db2.gz AGZJGYFLNXJCEG-UHFFFAOYSA-N 1 0 391.273 2.346 20 0 GEADRO C[C@H](CNC(=O)C(F)(F)c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000294958344 532392829 /nfs/dbraw/zinc/39/28/29/532392829.db2.gz OXKZCDCAMPEZTF-GFCCVEGCSA-N 1 0 390.272 2.293 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H](CO)Cc1ccccc1)c1cccc(Br)c1 ZINC000516867004 532394395 /nfs/dbraw/zinc/39/43/95/532394395.db2.gz DMLPEQRASIHYRK-MRXNPFEDSA-N 1 0 398.322 2.416 20 0 GEADRO CN(C(=O)NCC[C@H]1CCC[NH2+]C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000516857158 532394927 /nfs/dbraw/zinc/39/49/27/532394927.db2.gz OGBJLHMMHKPJEE-IUODEOHRSA-N 1 0 385.917 2.200 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000516926776 532397521 /nfs/dbraw/zinc/39/75/21/532397521.db2.gz KUAGBHHUMPOEMC-RYUDHWBXSA-N 1 0 382.507 2.484 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000516921703 532397856 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2.179 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCc1ccccc1Cl ZINC000192551814 532404046 /nfs/dbraw/zinc/40/40/46/532404046.db2.gz WBWSYRJMVVOAFY-UHFFFAOYSA-N 1 0 384.933 2.236 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000372726216 532404156 /nfs/dbraw/zinc/40/41/56/532404156.db2.gz MMRPAOVBKUJOGU-CYBMUJFWSA-N 1 0 394.313 2.388 20 0 GEADRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279933224 532404482 /nfs/dbraw/zinc/40/44/82/532404482.db2.gz AWMQTBHWDUDHQJ-SNVBAGLBSA-N 1 0 397.324 2.081 20 0 GEADRO CCCC[NH+]1CCC(Nc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000679465698 532405417 /nfs/dbraw/zinc/40/54/17/532405417.db2.gz ARDHRFPNZIFSSH-UHFFFAOYSA-N 1 0 391.335 2.168 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3ncc(Br)cc3Br)C[C@H]2C1 ZINC000192535906 532405639 /nfs/dbraw/zinc/40/56/39/532405639.db2.gz KDVUIILEPYWJRR-DTORHVGOSA-N 1 0 389.091 2.240 20 0 GEADRO C[C@H](CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)n1cc(Br)cn1 ZINC000648880701 532406709 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[NH3+][C@H]1CCCO[C@H]1C1CCN(c2ncccc2I)CC1 ZINC000591446058 532412132 /nfs/dbraw/zinc/41/21/32/532412132.db2.gz RMSGYDARDCDSAV-KBPBESRZSA-N 1 0 387.265 2.409 20 0 GEADRO C[NH+](C)CCCCC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000591452282 532412166 /nfs/dbraw/zinc/41/21/66/532412166.db2.gz AUPFIJLLOIQUPD-UHFFFAOYSA-N 1 0 384.318 2.417 20 0 GEADRO Ic1ccc2ncnc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000591439605 532412482 /nfs/dbraw/zinc/41/24/82/532412482.db2.gz WWNXINLCINZYNV-IINYFYTJSA-N 1 0 380.233 2.423 20 0 GEADRO Ic1ccc2ncnc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000591439607 532412501 /nfs/dbraw/zinc/41/25/01/532412501.db2.gz WWNXINLCINZYNV-QMTHXVAHSA-N 1 0 380.233 2.423 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ccc(I)cn2)CC1 ZINC000591445977 532412867 /nfs/dbraw/zinc/41/28/67/532412867.db2.gz HFACLNSPNYSCFJ-ZFWWWQNUSA-N 1 0 387.265 2.409 20 0 GEADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000192813357 532410627 /nfs/dbraw/zinc/41/06/27/532410627.db2.gz ALIHNFGPAQJSMC-GOSISDBHSA-N 1 0 386.583 2.292 20 0 GEADRO C[N@@H+]1C[C@@H](CNC(=O)c2csc(S(C)(=O)=O)c2)[C@H](c2ccccc2)C1 ZINC000649102529 532413736 /nfs/dbraw/zinc/41/37/36/532413736.db2.gz ADPBBUVTWYUVSD-CVEARBPZSA-N 1 0 378.519 2.227 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)COc2ncccc2Br)C1 ZINC000680499293 532414442 /nfs/dbraw/zinc/41/44/42/532414442.db2.gz JQDFUAOTDCROBU-GFCCVEGCSA-N 1 0 385.306 2.395 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000192829210 532413253 /nfs/dbraw/zinc/41/32/53/532413253.db2.gz ABSDMVBEYFAKOO-ZIAGYGMSSA-N 1 0 388.339 2.339 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000591579808 532414930 /nfs/dbraw/zinc/41/49/30/532414930.db2.gz IRPAXTHGWBWWOM-CYBMUJFWSA-N 1 0 398.301 2.456 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(C)c1F)C1CC1 ZINC000192971641 532415266 /nfs/dbraw/zinc/41/52/66/532415266.db2.gz VBBSUPNGIHHMNG-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(Br)sc1C ZINC000680513409 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O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427438005 532424209 /nfs/dbraw/zinc/42/42/09/532424209.db2.gz BGBZZPKECJUARA-PBHICJAKSA-N 1 0 381.314 2.343 20 0 GEADRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3cncc(Br)c3)C2)nc1 ZINC000466351773 532424759 /nfs/dbraw/zinc/42/47/59/532424759.db2.gz GKRCRMNWNMDOEK-UHFFFAOYSA-N 1 0 391.269 2.394 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193521652 532425816 /nfs/dbraw/zinc/42/58/16/532425816.db2.gz ADPJINBAKNWWNT-DAXOMENPSA-N 1 0 383.945 2.448 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000517741325 532426045 /nfs/dbraw/zinc/42/60/45/532426045.db2.gz JDNWIIZIYCWPTB-JTQLQIEISA-N 1 0 395.294 2.489 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000427630254 532428367 /nfs/dbraw/zinc/42/83/67/532428367.db2.gz RJHDNEATIIBIKE-RBSFLKMASA-N 1 0 376.444 2.113 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(Br)cc1F ZINC000193682491 532428732 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YSLKVPHFGWKPJP-YOEHRIQHSA-N 1 0 398.345 2.215 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)CC[N@@H+]1C ZINC000428631928 532456937 /nfs/dbraw/zinc/45/69/37/532456937.db2.gz YZVPPBLHFHVELG-YCPHGPKFSA-N 1 0 398.345 2.382 20 0 GEADRO Cc1ccc(S(=O)(=O)NCc2ccncc2OCC[NH+](C)C)c(Cl)c1 ZINC000519024287 532452747 /nfs/dbraw/zinc/45/27/47/532452747.db2.gz JPTXZUKMDWKXKQ-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000592382324 532453172 /nfs/dbraw/zinc/45/31/72/532453172.db2.gz OWUCIMFRICEYKM-GWCFXTLKSA-N 1 0 394.278 2.039 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CC[C@@H]1[NH3+] ZINC000592382249 532453624 /nfs/dbraw/zinc/45/36/24/532453624.db2.gz IZHMLXXFLATOCG-YPMHNXCESA-N 1 0 382.507 2.436 20 0 GEADRO CN(C(=O)c1csc(C(F)(F)F)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373501905 532453779 /nfs/dbraw/zinc/45/37/79/532453779.db2.gz KQLMAYCVUBJHNW-GFCCVEGCSA-N 1 0 376.448 2.402 20 0 GEADRO 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CC[NH+]1CCN(CC(=O)NCC(C)(C)c2ccc(Br)cc2)CC1 ZINC000468426240 532464352 /nfs/dbraw/zinc/46/43/52/532464352.db2.gz LBORKYNLKKJWBL-UHFFFAOYSA-N 1 0 382.346 2.480 20 0 GEADRO CC(C)Oc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000651306815 532464334 /nfs/dbraw/zinc/46/43/34/532464334.db2.gz LMIQWLAHZHRQBW-CQSZACIVSA-N 1 0 384.318 2.212 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000519435157 532464348 /nfs/dbraw/zinc/46/43/48/532464348.db2.gz JCSKWKYPGKYDIL-CQSZACIVSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373725477 532464833 /nfs/dbraw/zinc/46/48/33/532464833.db2.gz IRGSISUALSBKBI-UKRRQHHQSA-N 1 0 382.917 2.262 20 0 GEADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000519417610 532464907 /nfs/dbraw/zinc/46/49/07/532464907.db2.gz FJQCWVXLYKDDMI-ZDUSSCGKSA-N 1 0 380.901 2.031 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@@H]1C ZINC000428941014 532465181 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C[C@@H]1[C@@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CCC[N@@H+]1C ZINC000428965750 532466497 /nfs/dbraw/zinc/46/64/97/532466497.db2.gz IATLPQZYKQNLSV-KMFMINBZSA-N 1 0 398.345 2.382 20 0 GEADRO C[C@@H]1[C@H](C(=O)NCCOc2ccc(I)cc2)CC[N@@H+]1C ZINC000592797563 532466547 /nfs/dbraw/zinc/46/65/47/532466547.db2.gz CEJOMLWXGXOWFG-BXUZGUMPSA-N 1 0 388.249 2.126 20 0 GEADRO C[C@@H](NC(=O)COc1ccc(I)cc1)[C@H]1CCC[NH2+]C1 ZINC000428980987 532466914 /nfs/dbraw/zinc/46/69/14/532466914.db2.gz WCZGCCDPEQJQQN-NEPJUHHUSA-N 1 0 388.249 2.174 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000373706860 532463472 /nfs/dbraw/zinc/46/34/72/532463472.db2.gz HJIMEPHGQXACEX-ARFHVFGLSA-N 1 0 380.501 2.436 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651382556 532468603 /nfs/dbraw/zinc/46/86/03/532468603.db2.gz OGBSNJLEITZXMR-CQSZACIVSA-N 1 0 385.302 2.400 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN(C)Cc2cc(OC)ccc2Br)CC1 ZINC000429315064 532473636 /nfs/dbraw/zinc/47/36/36/532473636.db2.gz STGQFNUXZCWKKK-UHFFFAOYSA-N 1 0 398.345 2.490 20 0 GEADRO COC(=O)CCCCCS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000373763762 532468932 /nfs/dbraw/zinc/46/89/32/532468932.db2.gz VOOSZHZJQITHGQ-RHSMWYFYSA-N 1 0 388.555 2.394 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651382555 532469240 /nfs/dbraw/zinc/46/92/40/532469240.db2.gz OGBSNJLEITZXMR-AWEZNQCLSA-N 1 0 385.302 2.400 20 0 GEADRO CN(C)c1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000519583775 532469729 /nfs/dbraw/zinc/46/97/29/532469729.db2.gz BERPWAHZHHNIKQ-UHFFFAOYSA-N 1 0 383.583 2.393 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000468620879 532470077 /nfs/dbraw/zinc/47/00/77/532470077.db2.gz LHRLMVFLDIMWEA-MRXNPFEDSA-N 1 0 398.732 2.377 20 0 GEADRO O=C1[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)CCN1c1cccc(Br)c1 ZINC000684201836 532470398 /nfs/dbraw/zinc/47/03/98/532470398.db2.gz YLSZNBMXBBQGJG-IUODEOHRSA-N 1 0 390.285 2.082 20 0 GEADRO CO[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000195134818 532470883 /nfs/dbraw/zinc/47/08/83/532470883.db2.gz CMMLKOQNRJFQFA-CYBMUJFWSA-N 1 0 393.347 2.177 20 0 GEADRO OC[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)Cc1cccnc1 ZINC000519608337 532471035 /nfs/dbraw/zinc/47/10/35/532471035.db2.gz NECOFXHUBCZPDM-RDJZCZTQSA-N 1 0 395.297 2.025 20 0 GEADRO C[NH+](C)CCN1CCN(c2ccnc3c(Br)cccc23)CC1=O ZINC000651384007 532471129 /nfs/dbraw/zinc/47/11/29/532471129.db2.gz YELZDDADRWBUNE-UHFFFAOYSA-N 1 0 377.286 2.208 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)C1(CO)CCC1 ZINC000429232034 532471602 /nfs/dbraw/zinc/47/16/02/532471602.db2.gz RWPDGHXAFVEOEF-UHFFFAOYSA-N 1 0 388.249 2.385 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000519590469 532471619 /nfs/dbraw/zinc/47/16/19/532471619.db2.gz JSILVCIHMPSFNE-HUUCEWRRSA-N 1 0 383.334 2.055 20 0 GEADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)CS1 ZINC000373800486 532471783 /nfs/dbraw/zinc/47/17/83/532471783.db2.gz NVDKLRWKPRRXIC-NVXWUHKLSA-N 1 0 390.615 2.469 20 0 GEADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000519649543 532472127 /nfs/dbraw/zinc/47/21/27/532472127.db2.gz YSUXMCZVXDUTKR-KBPBESRZSA-N 1 0 381.929 2.322 20 0 GEADRO Cc1nn(C)c(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1Br ZINC000373840766 532473608 /nfs/dbraw/zinc/47/36/08/532473608.db2.gz GAIFVPBWBCVWLX-VHDGCEQUSA-N 1 0 385.350 2.470 20 0 GEADRO COc1ccc(CCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1Br ZINC000683909632 532467317 /nfs/dbraw/zinc/46/73/17/532467317.db2.gz MCBIPEQHIYYFLL-GOSISDBHSA-N 1 0 399.329 2.305 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1Br ZINC000373885614 532476926 /nfs/dbraw/zinc/47/69/26/532476926.db2.gz LVYQCYODWFWDOA-IAQYHMDHSA-N 1 0 387.299 2.024 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373887465 532477000 /nfs/dbraw/zinc/47/70/00/532477000.db2.gz ZDODUGBAONCASQ-TVQRCGJNSA-N 1 0 379.707 2.475 20 0 GEADRO NC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cccc(Br)c1 ZINC000373903668 532479194 /nfs/dbraw/zinc/47/91/94/532479194.db2.gz LUPMWODCJLMLGQ-KBMXLJTQSA-N 1 0 394.313 2.356 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373929540 532479290 /nfs/dbraw/zinc/47/92/90/532479290.db2.gz PNORMSJLXUFURC-JKSUJKDBSA-N 1 0 394.313 2.312 20 0 GEADRO CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000195652023 532479670 /nfs/dbraw/zinc/47/96/70/532479670.db2.gz XTRHSHALMKYSGV-DGCLKSJQSA-N 1 0 391.693 2.053 20 0 GEADRO CC[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684611823 532479967 /nfs/dbraw/zinc/47/99/67/532479967.db2.gz NAMQUVCPZIIQHV-HNNXBMFYSA-N 1 0 387.933 2.348 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000374274582 532496823 /nfs/dbraw/zinc/49/68/23/532496823.db2.gz ZJWWDXFDPVAHTJ-CYBMUJFWSA-N 1 0 389.924 2.268 20 0 GEADRO CC1CC[NH+]([C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c2cccs2)CC1 ZINC000593293433 532480957 /nfs/dbraw/zinc/48/09/57/532480957.db2.gz DEHXVZAJNFLQGI-WWYSBMSCSA-N 1 0 381.567 2.436 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Br)ccc1Br ZINC000629171590 532481376 /nfs/dbraw/zinc/48/13/76/532481376.db2.gz FEAULGKZFNNQJK-SNVBAGLBSA-N 1 0 392.091 2.008 20 0 GEADRO O=C1[C@H](NCc2cn(-c3ccccc3Br)nn2)C[C@H]2CCCCN12 ZINC000562805194 532483343 /nfs/dbraw/zinc/48/33/43/532483343.db2.gz NXVHCCDNHGUCST-UKRRQHHQSA-N 1 0 390.285 2.273 20 0 GEADRO CCOCCCNC(=O)[C@H](C)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374010737 532484332 /nfs/dbraw/zinc/48/43/32/532484332.db2.gz RNXTWIPRTFFITP-ZDUSSCGKSA-N 1 0 387.322 2.214 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCC[NH2+]1 ZINC000562812427 532484740 /nfs/dbraw/zinc/48/47/40/532484740.db2.gz XXABHHHCNNZTOW-UXLLHSPISA-N 1 0 382.302 2.373 20 0 GEADRO COCC[C@]1(C(=O)NC[C@H](C)Oc2cccc(Br)c2)CC[NH2+]C1 ZINC000429996307 532485345 /nfs/dbraw/zinc/48/53/45/532485345.db2.gz ZTKIOTDVPOCTRN-SUMWQHHRSA-N 1 0 385.302 2.349 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651684865 532486903 /nfs/dbraw/zinc/48/69/03/532486903.db2.gz ZPEFDQSTSURTMK-UHFFFAOYSA-N 1 0 385.848 2.394 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000469027094 532486968 /nfs/dbraw/zinc/48/69/68/532486968.db2.gz NYZBQEGJEIGEGJ-BETUJISGSA-N 1 0 382.302 2.168 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(NS(C)(=O)=O)cc1 ZINC000469229633 532497050 /nfs/dbraw/zinc/49/70/50/532497050.db2.gz OBFYKYZWJDOSHW-NSHDSACASA-N 1 0 388.536 2.374 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000374078914 532488009 /nfs/dbraw/zinc/48/80/09/532488009.db2.gz CKIWREQDEQJWEX-JOYOIKCWSA-N 1 0 379.707 2.475 20 0 GEADRO COC1(CS(=O)(=O)N(CC[NH+]2CCCCCC2)C(C)C)CCOCC1 ZINC000651705502 532488347 /nfs/dbraw/zinc/48/83/47/532488347.db2.gz VEPQRAOZEPPDSP-UHFFFAOYSA-N 1 0 376.563 2.098 20 0 GEADRO O=C(Nc1nc(CC(F)(F)F)cs1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000562919507 532488462 /nfs/dbraw/zinc/48/84/62/532488462.db2.gz QKZKHYVAGBWCCQ-LLVKDONJSA-N 1 0 378.420 2.434 20 0 GEADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)N1CCCOCC1)c1ccc(Cl)cc1 ZINC000651700424 532488884 /nfs/dbraw/zinc/48/88/84/532488884.db2.gz FBCGZIUZHHKSEN-QGZVFWFLSA-N 1 0 389.949 2.280 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(Cl)cc(Br)c3)C[C@H]21 ZINC000629354635 532489151 /nfs/dbraw/zinc/48/91/51/532489151.db2.gz VJEHMEVOWAAQEW-ITGUQSILSA-N 1 0 379.707 2.283 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)cc21 ZINC000629354494 532489166 /nfs/dbraw/zinc/48/91/66/532489166.db2.gz QNXGJZFYUAEGAL-VIKVFOODSA-N 1 0 398.326 2.121 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000374084356 532489413 /nfs/dbraw/zinc/48/94/13/532489413.db2.gz PJGQYFIUROGSHZ-SKDRFNHKSA-N 1 0 379.707 2.475 20 0 GEADRO O=S(=O)(NCCNCc1nc2c(s1)CCCC2)c1ccc(F)cc1F ZINC000685042596 532489583 /nfs/dbraw/zinc/48/95/83/532489583.db2.gz GKALMXHLVATTNN-UHFFFAOYSA-N 1 0 387.477 2.368 20 0 GEADRO COCC[C@@](C)(O)C[NH2+]Cc1ncc(Br)cc1Br ZINC000229603452 532490683 /nfs/dbraw/zinc/49/06/83/532490683.db2.gz JZMBGVXNLBSYKM-GFCCVEGCSA-N 1 0 382.096 2.484 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3I)C[C@@H]21 ZINC000230048832 532491084 /nfs/dbraw/zinc/49/10/84/532491084.db2.gz VYFVYNMYOXHKHH-MBNYWOFBSA-N 1 0 399.276 2.289 20 0 GEADRO CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000469121221 532491942 /nfs/dbraw/zinc/49/19/42/532491942.db2.gz WQSJZCATYVXKAF-CQSZACIVSA-N 1 0 380.286 2.429 20 0 GEADRO O=S1(=O)CCC(CC[NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000562991939 532492399 /nfs/dbraw/zinc/49/23/99/532492399.db2.gz SYCHHSOFEKEBNY-MRXNPFEDSA-N 1 0 375.918 2.022 20 0 GEADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000520409438 532492581 /nfs/dbraw/zinc/49/25/81/532492581.db2.gz KDXNFUBUTONHKR-GJZGRUSLSA-N 1 0 396.329 2.473 20 0 GEADRO O=C(NCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccc(Br)cc1 ZINC000236669032 532492659 /nfs/dbraw/zinc/49/26/59/532492659.db2.gz FNMCQOUGARLWSV-KBMXLJTQSA-N 1 0 394.313 2.216 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)Nc1cccc(Br)c1 ZINC000374223433 532493411 /nfs/dbraw/zinc/49/34/11/532493411.db2.gz XOXCCHLHZVMSSJ-WBMJQRKESA-N 1 0 382.302 2.229 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000374226575 532493654 /nfs/dbraw/zinc/49/36/54/532493654.db2.gz BEKHGYKZKCMMRS-INIZCTEOSA-N 1 0 394.313 2.245 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000520429243 532493602 /nfs/dbraw/zinc/49/36/02/532493602.db2.gz LHFJJZFNAHCWSF-CYBMUJFWSA-N 1 0 398.345 2.466 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)Nc1ccccc1Br ZINC000374228563 532494148 /nfs/dbraw/zinc/49/41/48/532494148.db2.gz HROVISONDCRUAJ-GXTWGEPZSA-N 1 0 382.302 2.229 20 0 GEADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000430233523 532494313 /nfs/dbraw/zinc/49/43/13/532494313.db2.gz LZRISZRNPSCQSM-JTQLQIEISA-N 1 0 399.676 2.810 20 0 GEADRO CC[NH+]1CCN(CC(=O)N(C)Cc2cc(OC)ccc2Br)CC1 ZINC000430192423 532494582 /nfs/dbraw/zinc/49/45/82/532494582.db2.gz BXPFCXKSNFKDFN-UHFFFAOYSA-N 1 0 384.318 2.054 20 0 GEADRO CCSc1ccc(CN(C)CC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000629507772 532494652 /nfs/dbraw/zinc/49/46/52/532494652.db2.gz IVZNLSKTOHVAQE-UHFFFAOYSA-N 1 0 386.359 2.425 20 0 GEADRO O=S(=O)(CC[NH2+]C1CCN(CC(F)(F)F)CC1)CCc1ccccc1 ZINC000282763244 532494608 /nfs/dbraw/zinc/49/46/08/532494608.db2.gz OJBJXAODWYPKME-UHFFFAOYSA-N 1 0 378.460 2.260 20 0 GEADRO CC[N@H+](CCCNS(=O)(=O)c1cnc(NC(C)=O)s1)C1CCCCC1 ZINC000651804133 532494920 /nfs/dbraw/zinc/49/49/20/532494920.db2.gz SXTFVHYJUDPSQH-UHFFFAOYSA-N 1 0 388.559 2.425 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000296032672 532494893 /nfs/dbraw/zinc/49/48/93/532494893.db2.gz AFTZTGCGSIVREA-YHWZYXNKSA-N 1 0 396.285 2.138 20 0 GEADRO CCCN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@H]1CC[NH2+]C1 ZINC000520566668 532495007 /nfs/dbraw/zinc/49/50/07/532495007.db2.gz ZKAOWHBAOXLRCD-ZDUSSCGKSA-N 1 0 383.286 2.363 20 0 GEADRO O=C(C[NH2+]C1CC1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000236717904 532495356 /nfs/dbraw/zinc/49/53/56/532495356.db2.gz ODKQWXMVSHPVMW-UHFFFAOYSA-N 1 0 380.286 2.378 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000651531450 532473831 /nfs/dbraw/zinc/47/38/31/532473831.db2.gz KCTOZJHGYRGTOA-NSHDSACASA-N 1 0 379.511 2.032 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ncsc3Br)C2)CC1 ZINC000519661251 532474029 /nfs/dbraw/zinc/47/40/29/532474029.db2.gz CBYSWZRBNDWRBN-LBPRGKRZSA-N 1 0 387.347 2.146 20 0 GEADRO Cc1nn(C)c(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1Br ZINC000373840763 532474193 /nfs/dbraw/zinc/47/41/93/532474193.db2.gz GAIFVPBWBCVWLX-BPLDGKMQSA-N 1 0 385.350 2.470 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC[C@@H](O)CC1 ZINC000296040355 532496617 /nfs/dbraw/zinc/49/66/17/532496617.db2.gz OAZIOMWLSYVMMO-IUODEOHRSA-N 1 0 385.302 2.309 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373872702 532474930 /nfs/dbraw/zinc/47/49/30/532474930.db2.gz RYXWTVJNYANMOW-AWEZNQCLSA-N 1 0 385.555 2.231 20 0 GEADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(Cl)c(F)c3)CC2)c1 ZINC000651551257 532475228 /nfs/dbraw/zinc/47/52/28/532475228.db2.gz UHENBHJGROAUQG-UHFFFAOYSA-N 1 0 385.848 2.394 20 0 GEADRO NC(=O)CC[C@H]([NH3+])C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000373874657 532475447 /nfs/dbraw/zinc/47/54/47/532475447.db2.gz RQHMZIURMKVUHE-AWEZNQCLSA-N 1 0 386.279 2.008 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000562644543 532475912 /nfs/dbraw/zinc/47/59/12/532475912.db2.gz SXTZAVOUAKMZRB-ZDUSSCGKSA-N 1 0 392.301 2.490 20 0 GEADRO COc1sc(C[NH2+]CC2(OCCO)CCOCC2)cc1Br ZINC000282545747 532476307 /nfs/dbraw/zinc/47/63/07/532476307.db2.gz CMSBLLQYJMSSFZ-UHFFFAOYSA-N 1 0 380.304 2.167 20 0 GEADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430614388 532502334 /nfs/dbraw/zinc/50/23/34/532502334.db2.gz YYDLPSAPUDEYNZ-RYUDHWBXSA-N 1 0 387.311 2.107 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431015645 532502705 /nfs/dbraw/zinc/50/27/05/532502705.db2.gz WGZYTKLVUHZHAL-UHFFFAOYSA-N 1 0 389.315 2.222 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374425874 532502773 /nfs/dbraw/zinc/50/27/73/532502773.db2.gz AGCRJWGJFDHKRC-NSHDSACASA-N 1 0 378.466 2.349 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374426525 532502847 /nfs/dbraw/zinc/50/28/47/532502847.db2.gz DWWAEYXUTINEJT-CYBMUJFWSA-N 1 0 377.539 2.286 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000237072242 532503394 /nfs/dbraw/zinc/50/33/94/532503394.db2.gz XPXGFCQZNZEONE-LBPRGKRZSA-N 1 0 376.320 2.017 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000629915571 532503618 /nfs/dbraw/zinc/50/36/18/532503618.db2.gz CREUUGINRBSEDD-JTQLQIEISA-N 1 0 397.191 2.144 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(Br)sc1Br ZINC000629913384 532503722 /nfs/dbraw/zinc/50/37/22/532503722.db2.gz JREDQJJCSQDAIS-ZETCQYMHSA-N 1 0 398.120 2.070 20 0 GEADRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c2ccc(Br)cc2n1 ZINC000629912634 532503810 /nfs/dbraw/zinc/50/38/10/532503810.db2.gz WQGAVULWUKDGFF-ZDUSSCGKSA-N 1 0 378.270 2.102 20 0 GEADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000237053437 532504110 /nfs/dbraw/zinc/50/41/10/532504110.db2.gz KXCUWXIJIKJJRD-UHFFFAOYSA-N 1 0 381.420 2.033 20 0 GEADRO O=C(CCNC(=O)NCCC1CC[NH2+]CC1)Nc1ccc(Br)cc1 ZINC000652136257 532504114 /nfs/dbraw/zinc/50/41/14/532504114.db2.gz KTLGSGPJROWFSO-UHFFFAOYSA-N 1 0 397.317 2.467 20 0 GEADRO [NH3+]CC1(CCNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000652146216 532504213 /nfs/dbraw/zinc/50/42/13/532504213.db2.gz MGAWOKGJWBVZGC-CQSZACIVSA-N 1 0 381.318 2.456 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1Br ZINC000431030152 532504311 /nfs/dbraw/zinc/50/43/11/532504311.db2.gz JSDMNZFJBAOZPO-UHFFFAOYSA-N 1 0 389.315 2.222 20 0 GEADRO CC[C@@H]1CN(C(=O)C2(c3cncc(Br)c3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000282884859 532504421 /nfs/dbraw/zinc/50/44/21/532504421.db2.gz VRZDZSSADMALAS-XJKSGUPXSA-N 1 0 396.329 2.179 20 0 GEADRO CC(C)([NH3+])c1noc(CN(CCO)Cc2cc(Br)ccc2F)n1 ZINC000431060297 532504977 /nfs/dbraw/zinc/50/49/77/532504977.db2.gz FGMLHZCPVYQDSD-UHFFFAOYSA-N 1 0 387.253 2.160 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)NCC[N@H+](CC)CCO ZINC000521124114 532505948 /nfs/dbraw/zinc/50/59/48/532505948.db2.gz USCBMLKMHDQQLA-UHFFFAOYSA-N 1 0 392.269 2.423 20 0 GEADRO C[C@@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000563599342 532506739 /nfs/dbraw/zinc/50/67/39/532506739.db2.gz XKTPVYVRFSEHBS-OLZOCXBDSA-N 1 0 384.322 2.380 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652233066 532506914 /nfs/dbraw/zinc/50/69/14/532506914.db2.gz LXGAIAUNMZVMKP-CQSZACIVSA-N 1 0 398.345 2.337 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000563609896 532507067 /nfs/dbraw/zinc/50/70/67/532507067.db2.gz NQSHUWJZPUEDBR-WBVHZDCISA-N 1 0 396.329 2.402 20 0 GEADRO C[NH2+]CC1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC1 ZINC000237324175 532507551 /nfs/dbraw/zinc/50/75/51/532507551.db2.gz RSUFKPBJTDASCV-UHFFFAOYSA-N 1 0 388.331 2.041 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652376096 532507807 /nfs/dbraw/zinc/50/78/07/532507807.db2.gz VYMVHRRCKYNAAY-NHYWBVRUSA-N 1 0 389.315 2.207 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000652372099 532507872 /nfs/dbraw/zinc/50/78/72/532507872.db2.gz QGNUVGJZXMHWOS-JKSUJKDBSA-N 1 0 376.881 2.386 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652374428 532507992 /nfs/dbraw/zinc/50/79/92/532507992.db2.gz QXYHGWKHFDUZNB-NOLJZWGESA-N 1 0 388.917 2.256 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652375251 532508446 /nfs/dbraw/zinc/50/84/46/532508446.db2.gz MDUFVVBXPFGMDO-WOSRLPQWSA-N 1 0 388.917 2.256 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594463233 532508376 /nfs/dbraw/zinc/50/83/76/532508376.db2.gz KZPHCXVNUNGRGQ-GFCCVEGCSA-N 1 0 392.880 2.418 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)c1cccc(Br)c1I ZINC000237635109 532508923 /nfs/dbraw/zinc/50/89/23/532508923.db2.gz SOKFPNMMEBHSEZ-SSDOTTSWSA-N 1 0 397.054 2.473 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652383585 532509222 /nfs/dbraw/zinc/50/92/22/532509222.db2.gz AFTHMMAFPYNCJQ-IIAWOOMASA-N 1 0 388.917 2.398 20 0 GEADRO [NH3+]CC1(CCNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC000652378876 532509428 /nfs/dbraw/zinc/50/94/28/532509428.db2.gz KSLGQEAOEQLIRN-ZDUSSCGKSA-N 1 0 388.917 2.163 20 0 GEADRO COC[C@]1(C(=O)OC)CCN(CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000296262865 532509759 /nfs/dbraw/zinc/50/97/59/532509759.db2.gz LXLXUVFMPMRLOU-INIZCTEOSA-N 1 0 375.252 2.443 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000296266757 532509795 /nfs/dbraw/zinc/50/97/95/532509795.db2.gz DLPNYIYWJWURGK-STQMWFEESA-N 1 0 380.329 2.101 20 0 GEADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000237663914 532509918 /nfs/dbraw/zinc/50/99/18/532509918.db2.gz DDDHLKSUXZRXOQ-NWDGAFQWSA-N 1 0 388.295 2.074 20 0 GEADRO C[N@H+](CCNS(C)(=O)=O)C1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000374533671 532510199 /nfs/dbraw/zinc/51/01/99/532510199.db2.gz BTXVDPUIAAVLPU-UHFFFAOYSA-N 1 0 379.448 2.155 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594483026 532510781 /nfs/dbraw/zinc/51/07/81/532510781.db2.gz HQDXJCKFIQUFCL-CABCVRRESA-N 1 0 386.901 2.422 20 0 GEADRO O=C(NCCc1ccc(F)c(Br)c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237752252 532511286 /nfs/dbraw/zinc/51/12/86/532511286.db2.gz ZSDJYUXYWRIUGK-UHFFFAOYSA-N 1 0 396.264 2.077 20 0 GEADRO CCC[NH+](CCC)CCCC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000521298484 532511377 /nfs/dbraw/zinc/51/13/77/532511377.db2.gz ZYFUKNJQPJAGIQ-MRXNPFEDSA-N 1 0 387.615 2.366 20 0 GEADRO CO[C@@H]1CN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)[C@](C)(C[NH3+])C1 ZINC000630359724 532512973 /nfs/dbraw/zinc/51/29/73/532512973.db2.gz DMKKOLVUFIJTRQ-NHYWBVRUSA-N 1 0 387.552 2.307 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1F ZINC000594531708 532513273 /nfs/dbraw/zinc/51/32/73/532513273.db2.gz WZASVXQGIVRNOW-XDTLVQLUSA-N 1 0 390.864 2.014 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1F ZINC000594530101 532513482 /nfs/dbraw/zinc/51/34/82/532513482.db2.gz HGNRHKKQUGQWBA-BXKDBHETSA-N 1 0 378.853 2.014 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)Cn1cccn1 ZINC000296301604 532513638 /nfs/dbraw/zinc/51/36/38/532513638.db2.gz GCQDAFMLMQXMHN-CHWSQXEVSA-N 1 0 395.301 2.337 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1F ZINC000594531496 532513645 /nfs/dbraw/zinc/51/36/45/532513645.db2.gz BSFJWLMEOPNLLO-LLVKDONJSA-N 1 0 378.853 2.076 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1F ZINC000594530969 532514052 /nfs/dbraw/zinc/51/40/52/532514052.db2.gz NFHBZCHXZXMMCO-CABZTGNLSA-N 1 0 378.853 2.062 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000469863913 532514407 /nfs/dbraw/zinc/51/44/07/532514407.db2.gz IRVHJMVFBSROTG-ZAMGYDSWSA-N 1 0 379.353 2.490 20 0 GEADRO CO[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630367298 532515030 /nfs/dbraw/zinc/51/50/30/532515030.db2.gz YDROGSGBYLSJRQ-ZWNOBZJWSA-N 1 0 386.823 2.486 20 0 GEADRO Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cn1 ZINC000237997720 532515102 /nfs/dbraw/zinc/51/51/02/532515102.db2.gz DQYQWHKFYLSBJJ-JTQLQIEISA-N 1 0 375.226 2.418 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2ccccc2I)nn1)[C@H]1CCCO1 ZINC000594650912 532516497 /nfs/dbraw/zinc/51/64/97/532516497.db2.gz AYBPPGALWAXQOE-KGLIPLIRSA-N 1 0 384.221 2.110 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000283073578 532517107 /nfs/dbraw/zinc/51/71/07/532517107.db2.gz PXPNGITVADGIQT-QWRGUYRKSA-N 1 0 393.962 2.147 20 0 GEADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000238077867 532517199 /nfs/dbraw/zinc/51/71/99/532517199.db2.gz CHKUQKHUSRRTJU-KRTXAFLBSA-N 1 0 380.176 2.427 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594640363 532517327 /nfs/dbraw/zinc/51/73/27/532517327.db2.gz FHPGOTGIWKKIQW-MRXNPFEDSA-N 1 0 394.313 2.170 20 0 GEADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000296384268 532517369 /nfs/dbraw/zinc/51/73/69/532517369.db2.gz JTDAZIUEYPTVJT-GTNSWQLSSA-N 1 0 384.498 2.458 20 0 GEADRO [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000652709480 532517864 /nfs/dbraw/zinc/51/78/64/532517864.db2.gz SMASIQWDFHPBSS-OAHLLOKOSA-N 1 0 394.313 2.358 20 0 GEADRO C[C@@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C[C@H]1C[NH3+] ZINC000563116764 532497882 /nfs/dbraw/zinc/49/78/82/532497882.db2.gz MZOIZHSICIGGHI-VXGBXAGGSA-N 1 0 378.523 2.443 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000236820130 532498257 /nfs/dbraw/zinc/49/82/57/532498257.db2.gz ISAGLOQRLPLDPK-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000520811428 532498971 /nfs/dbraw/zinc/49/89/71/532498971.db2.gz JJZGMLWHVODDCR-AAEUAGOBSA-N 1 0 389.905 2.103 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000564210020 532518689 /nfs/dbraw/zinc/51/86/89/532518689.db2.gz PBQNJNHJWWUJQR-ZDUSSCGKSA-N 1 0 389.315 2.276 20 0 GEADRO C[C@H]1COCC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000374366798 532499416 /nfs/dbraw/zinc/49/94/16/532499416.db2.gz VYQDPQAENSHRAZ-CYBMUJFWSA-N 1 0 387.311 2.005 20 0 GEADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[NH2+]CCOC ZINC000236890191 532499853 /nfs/dbraw/zinc/49/98/53/532499853.db2.gz XZEVZZLWPDGNSN-UHFFFAOYSA-N 1 0 376.284 2.407 20 0 GEADRO CCC[NH2+]CCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000236908453 532499915 /nfs/dbraw/zinc/49/99/15/532499915.db2.gz XYONXYBGCODJEM-NRFANRHFSA-N 1 0 375.332 2.453 20 0 GEADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C[NH2+]CCOC ZINC000236885336 532499982 /nfs/dbraw/zinc/49/99/82/532499982.db2.gz IJJXWYXMWQWJSV-UHFFFAOYSA-N 1 0 376.284 2.407 20 0 GEADRO O=C1NCC[C@@H]1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000563356571 532500655 /nfs/dbraw/zinc/50/06/55/532500655.db2.gz WILHQENANXJLBR-CYBMUJFWSA-N 1 0 384.293 2.232 20 0 GEADRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000236944924 532500806 /nfs/dbraw/zinc/50/08/06/532500806.db2.gz VLFATPZGFPFLTC-WBMJQRKESA-N 1 0 384.318 2.275 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]CC1(O)CCOCC1 ZINC000236949402 532500886 /nfs/dbraw/zinc/50/08/86/532500886.db2.gz RVUXCVUVERNLJP-UHFFFAOYSA-N 1 0 388.302 2.496 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)ccc1Br ZINC000593898070 532501329 /nfs/dbraw/zinc/50/13/29/532501329.db2.gz NBFMYQZKKQFAQK-CYBMUJFWSA-N 1 0 388.693 2.172 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611378 532501594 /nfs/dbraw/zinc/50/15/94/532501594.db2.gz NYDCNJPXAICLKU-RYUDHWBXSA-N 1 0 387.311 2.107 20 0 GEADRO CC(C)(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(Br)c1 ZINC000593896901 532501563 /nfs/dbraw/zinc/50/15/63/532501563.db2.gz SMWDFXMRRKMHSR-OAHLLOKOSA-N 1 0 396.329 2.183 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC2(C[NH3+])CCCC2)ccc1Cl ZINC000236970180 532501809 /nfs/dbraw/zinc/50/18/09/532501809.db2.gz HYPPLQMEWQKHIX-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000237020324 532502040 /nfs/dbraw/zinc/50/20/40/532502040.db2.gz WQRWXNZLWUZCBR-INIZCTEOSA-N 1 0 382.346 2.429 20 0 GEADRO Cc1ccc(CC(=O)NCCCC[NH+]2CCN(C)CC2)cc1Br ZINC000525864884 532536440 /nfs/dbraw/zinc/53/64/40/532536440.db2.gz SYABDUQVGHULGP-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO O=C(Nc1nnc2ccc(Br)cn21)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000296721589 532536554 /nfs/dbraw/zinc/53/65/54/532536554.db2.gz FJCYFQSYOOFHAA-RYUDHWBXSA-N 1 0 379.262 2.240 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000283401871 532536993 /nfs/dbraw/zinc/53/69/93/532536993.db2.gz OFEZCYZRLCITAV-CHWSQXEVSA-N 1 0 387.933 2.098 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000283401876 532537544 /nfs/dbraw/zinc/53/75/44/532537544.db2.gz OFEZCYZRLCITAV-OLZOCXBDSA-N 1 0 387.933 2.098 20 0 GEADRO CN(CCC[NH3+])S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000564958107 532539098 /nfs/dbraw/zinc/53/90/98/532539098.db2.gz PQTJAIUSOOSOHY-UHFFFAOYSA-N 1 0 391.209 2.317 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2sc(C)nc2C)[C@@H](C)C1 ZINC000246492570 532539623 /nfs/dbraw/zinc/53/96/23/532539623.db2.gz MJMXUWCHDHTGMS-SWLSCSKDSA-N 1 0 375.560 2.175 20 0 GEADRO CO[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1Br ZINC000653678519 532539807 /nfs/dbraw/zinc/53/98/07/532539807.db2.gz OAXHZOIQLCIWKJ-KRWDZBQOSA-N 1 0 397.313 2.460 20 0 GEADRO O[C@H](CN[C@@H]1CCc2ccc(I)cc21)C[NH+]1CCCC1 ZINC000595017260 532541172 /nfs/dbraw/zinc/54/11/72/532541172.db2.gz LEQIQYYEXUQDSW-GDBMZVCRSA-N 1 0 386.277 2.325 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC000564966242 532541459 /nfs/dbraw/zinc/54/14/59/532541459.db2.gz GFRGHUNDSAUIEY-TXEJJXNPSA-N 1 0 389.315 2.078 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)s1 ZINC000296817120 532545532 /nfs/dbraw/zinc/54/55/32/532545532.db2.gz JKLGCIMPXGSNLE-UHFFFAOYSA-N 1 0 385.555 2.358 20 0 GEADRO COC[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCCO1 ZINC000432628359 532541791 /nfs/dbraw/zinc/54/17/91/532541791.db2.gz BJIOSZMFZQNQDD-OWCLPIDISA-N 1 0 383.286 2.338 20 0 GEADRO COC(=O)c1coc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000595056200 532542121 /nfs/dbraw/zinc/54/21/21/532542121.db2.gz CWWCEBRAJLLDQN-SNVBAGLBSA-N 1 0 396.241 2.304 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000283498984 532543305 /nfs/dbraw/zinc/54/33/05/532543305.db2.gz YPUYVCNSJPPLAO-MEDUHNTESA-N 1 0 399.310 2.481 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000283493978 532543507 /nfs/dbraw/zinc/54/35/07/532543507.db2.gz IDPREFSZOYPFOC-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO NS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000471147029 532543539 /nfs/dbraw/zinc/54/35/39/532543539.db2.gz ILZZANNHPGIWRG-JTQLQIEISA-N 1 0 380.297 2.075 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]CCc2ccc(I)cc2)C1 ZINC000595094533 532543825 /nfs/dbraw/zinc/54/38/25/532543825.db2.gz LOFZULIKORBUDJ-ZDUSSCGKSA-N 1 0 379.263 2.001 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@]2(CO)CCCc3ccccc32)ccc1Cl ZINC000631128236 532543908 /nfs/dbraw/zinc/54/39/08/532543908.db2.gz VYCXMCJOOGADAY-SFHVURJKSA-N 1 0 380.897 2.301 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)ccc1Cl ZINC000631142452 532544355 /nfs/dbraw/zinc/54/43/55/532544355.db2.gz MIEXXYPENDKKEX-CYBMUJFWSA-N 1 0 383.876 2.495 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1=O ZINC000654018686 532545628 /nfs/dbraw/zinc/54/56/28/532545628.db2.gz KDODFCNCKXTMOU-GXTWGEPZSA-N 1 0 383.290 2.286 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000470091292 532519703 /nfs/dbraw/zinc/51/97/03/532519703.db2.gz QBWKVNYYDQURGS-JTQLQIEISA-N 1 0 377.229 2.256 20 0 GEADRO O=S(=O)(CCOCC(F)(F)F)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000521921537 532520317 /nfs/dbraw/zinc/52/03/17/532520317.db2.gz FHSUDMDHLZHDEY-OAHLLOKOSA-N 1 0 380.432 2.322 20 0 GEADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1 ZINC000564304886 532522118 /nfs/dbraw/zinc/52/21/18/532522118.db2.gz OASIDMUMDCRKAP-SFHVURJKSA-N 1 0 397.313 2.423 20 0 GEADRO O=C1CN(CCC[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCN1 ZINC000564353078 532523353 /nfs/dbraw/zinc/52/33/53/532523353.db2.gz YKULUYZKZKPCFS-UHFFFAOYSA-N 1 0 394.235 2.379 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000283174576 532523614 /nfs/dbraw/zinc/52/36/14/532523614.db2.gz XMEJFXNUUXVNMU-JTQLQIEISA-N 1 0 393.962 2.289 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000470275943 532523917 /nfs/dbraw/zinc/52/39/17/532523917.db2.gz PNWKOWGIDNVPFQ-UHFFFAOYSA-N 1 0 397.317 2.086 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564481336 532524755 /nfs/dbraw/zinc/52/47/55/532524755.db2.gz CVXQHFMNAYMIKX-INIZCTEOSA-N 1 0 392.301 2.219 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000432004676 532525919 /nfs/dbraw/zinc/52/59/19/532525919.db2.gz CBGSDWKAYUXLCT-UHFFFAOYSA-N 1 0 395.301 2.333 20 0 GEADRO Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](S(=O)(=O)N4CCCC4)C3)s2)cn1 ZINC000375001029 532526751 /nfs/dbraw/zinc/52/67/51/532526751.db2.gz MEULQDILOALFFY-INIZCTEOSA-N 1 0 380.539 2.149 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(I)o3)C[C@@H]21 ZINC000375025154 532528126 /nfs/dbraw/zinc/52/81/26/532528126.db2.gz YTGWKQLWUZAMKS-JZLDWQBISA-N 1 0 386.233 2.450 20 0 GEADRO C[NH+](C)[C@]1(C(=O)NC[C@@H](O)c2cccc(Br)c2)CCCSC1 ZINC000375009324 532528167 /nfs/dbraw/zinc/52/81/67/532528167.db2.gz CVVHFCJXUZAZBS-GDBMZVCRSA-N 1 0 387.343 2.426 20 0 GEADRO CC[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2Br)CC[N@@H+]1C[C@H](C)O ZINC000246870730 532545127 /nfs/dbraw/zinc/54/51/27/532545127.db2.gz OABUWRIBOQBRDG-NWDGAFQWSA-N 1 0 387.322 2.213 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000524048581 532528760 /nfs/dbraw/zinc/52/87/60/532528760.db2.gz RMOFCCPNXUAWBS-LSDHHAIUSA-N 1 0 396.285 2.139 20 0 GEADRO O=C(CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)Nc1ccc(Br)cc1 ZINC000653074677 532529152 /nfs/dbraw/zinc/52/91/52/532529152.db2.gz RFVPMTKJCGULJZ-HUUCEWRRSA-N 1 0 380.286 2.425 20 0 GEADRO CC[C@@H](NC(C)=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000630848176 532529800 /nfs/dbraw/zinc/52/98/00/532529800.db2.gz VDEMMAMOYIQBAV-MRXNPFEDSA-N 1 0 384.318 2.254 20 0 GEADRO COc1ccc(I)c(NC(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000296593662 532530924 /nfs/dbraw/zinc/53/09/24/532530924.db2.gz XIUAUWVVGSYKOQ-JTQLQIEISA-N 1 0 389.237 2.373 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000375075852 532531180 /nfs/dbraw/zinc/53/11/80/532531180.db2.gz VKTBVKYWQGSPPM-JSGCOSHPSA-N 1 0 381.249 2.407 20 0 GEADRO C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000296642384 532531718 /nfs/dbraw/zinc/53/17/18/532531718.db2.gz YDIWCSSRAWLCGH-GHMZBOCLSA-N 1 0 379.320 2.298 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cc(Br)ccn2)cc1 ZINC000432274573 532532843 /nfs/dbraw/zinc/53/28/43/532532843.db2.gz LNBJGSFVNLBXAC-UHFFFAOYSA-N 1 0 384.299 2.384 20 0 GEADRO Cc1cc(Br)cn2cc(CN[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)nc12 ZINC000564825513 532533024 /nfs/dbraw/zinc/53/30/24/532533024.db2.gz MJVNFCUAEHZHMO-HOTGVXAUSA-N 1 0 379.302 2.262 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCc1ccsc1Br ZINC000653401709 532534195 /nfs/dbraw/zinc/53/41/95/532534195.db2.gz DETXDEDAAQHISE-UHFFFAOYSA-N 1 0 388.331 2.071 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)c2ccc(I)cc2)CC1 ZINC000565149584 532549845 /nfs/dbraw/zinc/54/98/45/532549845.db2.gz VABVTHPRBIECPP-UHFFFAOYSA-N 1 0 388.249 2.132 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2nn(C)cc2Br)CC1 ZINC000432937259 532550063 /nfs/dbraw/zinc/55/00/63/532550063.db2.gz GYWKEZMOHRAHGW-GASCZTMLSA-N 1 0 384.366 2.173 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2nn(C)cc2Br)CC1 ZINC000432937263 532550143 /nfs/dbraw/zinc/55/01/43/532550143.db2.gz GYWKEZMOHRAHGW-HUUCEWRRSA-N 1 0 384.366 2.173 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2ccc(I)cc2)C1 ZINC000595272701 532551303 /nfs/dbraw/zinc/55/13/03/532551303.db2.gz DYWZPODYUWISRW-DGCLKSJQSA-N 1 0 387.265 2.212 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000595277775 532551910 /nfs/dbraw/zinc/55/19/10/532551910.db2.gz QTCIHCXWHIREIF-JTQLQIEISA-N 1 0 378.325 2.067 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000565178867 532552452 /nfs/dbraw/zinc/55/24/52/532552452.db2.gz KCDFNXHRLJVMCR-OLZOCXBDSA-N 1 0 384.318 2.354 20 0 GEADRO COc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c(I)c1 ZINC000471601807 532553492 /nfs/dbraw/zinc/55/34/92/532553492.db2.gz 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ZINC000527799339 532555505 /nfs/dbraw/zinc/55/55/05/532555505.db2.gz VQJSZWXADUZXGI-UHFFFAOYSA-N 1 0 375.235 2.484 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(Br)nn1C ZINC000248652609 532555613 /nfs/dbraw/zinc/55/56/13/532555613.db2.gz BLCGYDUAOKTYQL-GXTWGEPZSA-N 1 0 377.286 2.433 20 0 GEADRO CC(C)(C[NH2+]Cc1ncc(I)s1)C(=O)N1CCCC1 ZINC000527809437 532555760 /nfs/dbraw/zinc/55/57/60/532555760.db2.gz BZSVQNYHDVNVEF-UHFFFAOYSA-N 1 0 393.294 2.486 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000433086982 532555769 /nfs/dbraw/zinc/55/57/69/532555769.db2.gz GYVZJFODTDDUAW-ZDUSSCGKSA-N 1 0 376.906 2.046 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000471662966 532555826 /nfs/dbraw/zinc/55/58/26/532555826.db2.gz NVEBEVGVPKQFPK-UHFFFAOYSA-N 1 0 378.300 2.076 20 0 GEADRO COC(=O)[C@@H](c1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000595333111 532556010 /nfs/dbraw/zinc/55/60/10/532556010.db2.gz BONLVRPCFBUYQB-WMLDXEAASA-N 1 0 397.313 2.317 20 0 GEADRO 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[NH3+]C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)C(F)(F)F ZINC000655507527 532593914 /nfs/dbraw/zinc/59/39/14/532593914.db2.gz UZAGRQOFOGJNIZ-SECBINFHSA-N 1 0 375.572 2.487 20 0 GEADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376066256 532594856 /nfs/dbraw/zinc/59/48/56/532594856.db2.gz JFMOEIWQUORVDW-YESZJQIVSA-N 1 0 378.314 2.059 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)c2nccn2c1 ZINC000631962556 532571367 /nfs/dbraw/zinc/57/13/67/532571367.db2.gz PPXSEFYRAYQOMH-CQSZACIVSA-N 1 0 395.301 2.064 20 0 GEADRO Cc1ccc(CC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Br ZINC000565593310 532571692 /nfs/dbraw/zinc/57/16/92/532571692.db2.gz LPJXNFMBCFPXSW-HNNXBMFYSA-N 1 0 396.329 2.146 20 0 GEADRO Brc1ccc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c(N2CCOCC2)c1 ZINC000566137657 532595102 /nfs/dbraw/zinc/59/51/02/532595102.db2.gz ANQJTQLJCJAACW-CQSZACIVSA-N 1 0 392.301 2.393 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c(Br)c1 ZINC000631993127 532572409 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GEADRO COCC1(CNC(=O)Cc2cc(Br)ccc2OC)CC[NH2+]CC1 ZINC000261675010 532576802 /nfs/dbraw/zinc/57/68/02/532576802.db2.gz GUBLVXASWRSZAP-UHFFFAOYSA-N 1 0 385.302 2.133 20 0 GEADRO COc1cccc([C@@H](O)CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261739135 532577761 /nfs/dbraw/zinc/57/77/61/532577761.db2.gz LQKLEKPMTOCXAA-WMZOPIPTSA-N 1 0 393.281 2.481 20 0 GEADRO CC(=O)NCC(=O)N1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000528735279 532578189 /nfs/dbraw/zinc/57/81/89/532578189.db2.gz SGCXBUMKROOLOI-UHFFFAOYSA-N 1 0 388.295 2.043 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[NH2+]C[C@@H]2c2nccn2C)c(Br)c1 ZINC000261744622 532578332 /nfs/dbraw/zinc/57/83/32/532578332.db2.gz LDCIDHFRFGHVCA-OAHLLOKOSA-N 1 0 392.301 2.076 20 0 GEADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C3(c4c(Cl)cccc4Cl)CCC3)CCN2C1=O ZINC000595942784 532579159 /nfs/dbraw/zinc/57/91/59/532579159.db2.gz ZAXQCGGOTJOHPK-RISCZKNCSA-N 1 0 382.291 2.186 20 0 GEADRO CC(C)Cn1cc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000375738607 532579577 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COc1cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)cc(I)c1OC ZINC000435383146 532614895 /nfs/dbraw/zinc/61/48/95/532614895.db2.gz GNZRCCLSSNIGBC-GHMZBOCLSA-N 1 0 390.265 2.491 20 0 GEADRO COc1ccc(Br)cc1C1(NS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632497207 532614980 /nfs/dbraw/zinc/61/49/80/532614980.db2.gz ASOMEZHNPMSJAS-UHFFFAOYSA-N 1 0 391.331 2.318 20 0 GEADRO COc1cc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc(I)c1OC ZINC000435383147 532615285 /nfs/dbraw/zinc/61/52/85/532615285.db2.gz GNZRCCLSSNIGBC-PHIMTYICSA-N 1 0 390.265 2.491 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@@H]1[NH+](C)C ZINC000597445752 532616992 /nfs/dbraw/zinc/61/69/92/532616992.db2.gz JJSLVQWPIISJKL-NWDGAFQWSA-N 1 0 399.314 2.149 20 0 GEADRO CO[C@H]1C[C@@H](CN(C)Cc2nnc(-c3ccc(Br)o3)o2)[N@H+](C)C1 ZINC000284746451 532617546 /nfs/dbraw/zinc/61/75/46/532617546.db2.gz FPORXBIKOWLCST-QWRGUYRKSA-N 1 0 385.262 2.243 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@@H]1[NH+](C)C ZINC000597445753 532617928 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GEADRO O=C(NC1CC1)[C@H](O)C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000434713405 532599739 /nfs/dbraw/zinc/59/97/39/532599739.db2.gz ZZVBXRLNGRDWPH-QGZVFWFLSA-N 1 0 397.313 2.179 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1Br ZINC000262748858 532599915 /nfs/dbraw/zinc/59/99/15/532599915.db2.gz FPRLSNBDZOZEPJ-GHMZBOCLSA-N 1 0 377.304 2.219 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000566190062 532600274 /nfs/dbraw/zinc/60/02/74/532600274.db2.gz KTKAYHPLOHWDMN-NSHDSACASA-N 1 0 396.221 2.079 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000262766768 532600289 /nfs/dbraw/zinc/60/02/89/532600289.db2.gz LBXKWJUHAHKYLR-LDYMZIIASA-N 1 0 397.722 2.387 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@H](c2cc(Cl)ccc2Cl)[C@H]2CCOC2)CC1 ZINC000376176452 532600466 /nfs/dbraw/zinc/60/04/66/532600466.db2.gz BEDRLKIVPZNQGQ-UGSOOPFHSA-N 1 0 386.323 2.435 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000566199732 532600579 /nfs/dbraw/zinc/60/05/79/532600579.db2.gz KUQCEWOYNCFMSJ-HNNXBMFYSA-N 1 0 382.302 2.306 20 0 GEADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262778055 532600556 /nfs/dbraw/zinc/60/05/56/532600556.db2.gz YFQGULNRZLJCQP-BDAKNGLRSA-N 1 0 381.242 2.242 20 0 GEADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000529407603 532601043 /nfs/dbraw/zinc/60/10/43/532601043.db2.gz HHVXHURYRJGFMF-GFCCVEGCSA-N 1 0 383.286 2.480 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1O ZINC000529409814 532601166 /nfs/dbraw/zinc/60/11/66/532601166.db2.gz NRAQKXGPXTWXJC-SOUVJXGZSA-N 1 0 375.296 2.186 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000566249626 532601485 /nfs/dbraw/zinc/60/14/85/532601485.db2.gz ZZRPWYDBUKHEHK-KRWDZBQOSA-N 1 0 396.329 2.255 20 0 GEADRO O=CN1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000297656725 532601570 /nfs/dbraw/zinc/60/15/70/532601570.db2.gz NONYUTDHSYKYMJ-CYBMUJFWSA-N 1 0 391.693 2.006 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000473906846 532601986 /nfs/dbraw/zinc/60/19/86/532601986.db2.gz VWTSUWFPVAHKTP-UHFFFAOYSA-N 1 0 394.946 2.263 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566251098 532602113 /nfs/dbraw/zinc/60/21/13/532602113.db2.gz MAVJDNNDKBAREM-OLZOCXBDSA-N 1 0 395.301 2.029 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262816599 532602292 /nfs/dbraw/zinc/60/22/92/532602292.db2.gz PFGKPNXGFXQJOY-RBSFLKMASA-N 1 0 384.567 2.465 20 0 GEADRO Cn1ccnc1[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655914028 532602698 /nfs/dbraw/zinc/60/26/98/532602698.db2.gz XMWKKZFVLXJVAI-NEPJUHHUSA-N 1 0 375.782 2.352 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)C(F)(F)F ZINC000655926149 532603157 /nfs/dbraw/zinc/60/31/57/532603157.db2.gz CJDLDOQNTKWUGM-GHMZBOCLSA-N 1 0 381.196 2.484 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)(F)F ZINC000655919532 532603558 /nfs/dbraw/zinc/60/35/58/532603558.db2.gz BWWGBYXGJSHFNK-GHMZBOCLSA-N 1 0 399.200 2.288 20 0 GEADRO Cn1ccc([C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c2ccc(Cl)cc2)n1 ZINC000655925236 532603740 /nfs/dbraw/zinc/60/37/40/532603740.db2.gz ZBRNYYPZQJQGOQ-OLZOCXBDSA-N 1 0 375.782 2.352 20 0 GEADRO CCOc1cccc(C[NH2+]CCCN2CCCS2(=O)=O)c1OC(F)F ZINC000596676479 532603687 /nfs/dbraw/zinc/60/36/87/532603687.db2.gz QDLFAAFAFALNOK-UHFFFAOYSA-N 1 0 378.441 2.202 20 0 GEADRO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000434871371 532604404 /nfs/dbraw/zinc/60/44/04/532604404.db2.gz WEQPYKDFARPURB-OAHLLOKOSA-N 1 0 379.551 2.218 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474051607 532605182 /nfs/dbraw/zinc/60/51/82/532605182.db2.gz LCFZBURNDNYMJA-HNNXBMFYSA-N 1 0 390.311 2.438 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000297733488 532605637 /nfs/dbraw/zinc/60/56/37/532605637.db2.gz FTNJTEBFBHNADW-LLVKDONJSA-N 1 0 388.331 2.022 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474051608 532605613 /nfs/dbraw/zinc/60/56/13/532605613.db2.gz LCFZBURNDNYMJA-OAHLLOKOSA-N 1 0 390.311 2.438 20 0 GEADRO CCC[NH+]1CCC(NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000474075462 532606165 /nfs/dbraw/zinc/60/61/65/532606165.db2.gz UEZYBHDTRIDBFT-OAHLLOKOSA-N 1 0 397.317 2.149 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)C1(c3ccc(I)cc3)CC1)C2 ZINC000597569025 532621794 /nfs/dbraw/zinc/62/17/94/532621794.db2.gz SOSIBOVWNCOOHA-UHFFFAOYSA-N 1 0 396.272 2.487 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000262904881 532606577 /nfs/dbraw/zinc/60/65/77/532606577.db2.gz QCFGPYXTKDSGLH-DAXOMENPSA-N 1 0 394.313 2.310 20 0 GEADRO [NH3+]CCC1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000566407959 532607482 /nfs/dbraw/zinc/60/74/82/532607482.db2.gz XANORLOAMVWUEI-INIZCTEOSA-N 1 0 394.313 2.389 20 0 GEADRO CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566437420 532609992 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CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000265279140 532692227 /nfs/dbraw/zinc/69/22/27/532692227.db2.gz WQMATOKRLMBWIF-IAGOWNOFSA-N 1 0 390.318 2.217 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000569206838 532692275 /nfs/dbraw/zinc/69/22/75/532692275.db2.gz VGJSULGDMKRWKR-CFVMTHIKSA-N 1 0 388.917 2.398 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000603391244 532692822 /nfs/dbraw/zinc/69/28/22/532692822.db2.gz XDAPTYYCKFBHLO-HZPDHXFCSA-N 1 0 377.286 2.428 20 0 GEADRO [NH3+][C@@H](CNC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)C1CC1 ZINC000569204218 532692852 /nfs/dbraw/zinc/69/28/52/532692852.db2.gz DOMUMXIYFOVESF-LBPRGKRZSA-N 1 0 378.523 2.168 20 0 GEADRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000378392895 532694361 /nfs/dbraw/zinc/69/43/61/532694361.db2.gz GIOFGIIYRHTXPF-UHFFFAOYSA-N 1 0 376.400 2.196 20 0 GEADRO CC(C)Oc1cc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1Br ZINC000640440365 532694797 /nfs/dbraw/zinc/69/47/97/532694797.db2.gz ALVQVPIDFBUQKX-INIZCTEOSA-N 1 0 386.290 2.424 20 0 GEADRO Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000536583527 532694926 /nfs/dbraw/zinc/69/49/26/532694926.db2.gz QXEPVWQQWJBKRU-HOTGVXAUSA-N 1 0 379.551 2.272 20 0 GEADRO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000378460807 532695836 /nfs/dbraw/zinc/69/58/36/532695836.db2.gz KCDAOXGVTRXNON-WBMJQRKESA-N 1 0 375.922 2.023 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000299111234 532696222 /nfs/dbraw/zinc/69/62/22/532696222.db2.gz YAYBWYQOEYDHFW-VXGBXAGGSA-N 1 0 386.290 2.009 20 0 GEADRO CN(C(=O)C(=O)N1CCc2ccc(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439593129 532697131 /nfs/dbraw/zinc/69/71/31/532697131.db2.gz IPOJAAMDZQCJLM-OAHLLOKOSA-N 1 0 392.297 2.033 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(Br)cc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439587448 532697256 /nfs/dbraw/zinc/69/72/56/532697256.db2.gz LDQHOXKUYHKSAM-GFCCVEGCSA-N 1 0 384.249 2.222 20 0 GEADRO O=C(CNS(=O)(=O)c1cccs1)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000378525528 532697485 /nfs/dbraw/zinc/69/74/85/532697485.db2.gz GFDMIKXUUYLXJW-UHFFFAOYSA-N 1 0 377.491 2.143 20 0 GEADRO [NH3+][C@@H](c1cn(CC(=O)N2CCCCCC2)nn1)c1ccc(Br)cc1 ZINC000640756470 532697514 /nfs/dbraw/zinc/69/75/14/532697514.db2.gz ZUCWMBKXWSDGLW-QGZVFWFLSA-N 1 0 392.301 2.491 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000439589969 532697560 /nfs/dbraw/zinc/69/75/60/532697560.db2.gz IPJCBMFNPZASLD-ZDUSSCGKSA-N 1 0 380.286 2.391 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000439588284 532697668 /nfs/dbraw/zinc/69/76/68/532697668.db2.gz FOXGWBSWXPRHKH-GFCCVEGCSA-N 1 0 396.285 2.091 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(F)cc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439584353 532697759 /nfs/dbraw/zinc/69/77/59/532697759.db2.gz BHCYSJNJBUNGQH-LBPRGKRZSA-N 1 0 384.249 2.222 20 0 GEADRO [NH3+][C@@H](c1cn(CC(=O)NC2CCCC2)nn1)c1ccc(Br)cc1 ZINC000640763660 532697917 /nfs/dbraw/zinc/69/79/17/532697917.db2.gz LVWZEZDIKYZDID-MRXNPFEDSA-N 1 0 378.274 2.148 20 0 GEADRO CN(C(=O)C(=O)Nc1c(F)cccc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439590488 532697976 /nfs/dbraw/zinc/69/79/76/532697976.db2.gz RUTNWRZLRJZTPR-LLVKDONJSA-N 1 0 384.249 2.222 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000265925125 532699557 /nfs/dbraw/zinc/69/95/57/532699557.db2.gz URLLQLGRJJITNE-UHFFFAOYSA-N 1 0 394.686 2.158 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2c(Br)cccc2C1 ZINC000569651825 532700647 /nfs/dbraw/zinc/70/06/47/532700647.db2.gz HTGSSSWEFJTDDT-UHFFFAOYSA-N 1 0 375.332 2.479 20 0 GEADRO Nc1nc(-n2cccn2)cc(N[C@@H](CO)c2ccc(Br)c(F)c2)[nH+]1 ZINC000488738300 532702063 /nfs/dbraw/zinc/70/20/63/532702063.db2.gz UADYPQDVNPTKKM-LBPRGKRZSA-N 1 0 393.220 2.292 20 0 GEADRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ncccc1Br ZINC000382998097 532702182 /nfs/dbraw/zinc/70/21/82/532702182.db2.gz AHHLLTDUCVWNBP-HNNXBMFYSA-N 1 0 390.281 2.475 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cn(C)cc(Br)c1=O ZINC000666693702 532702288 /nfs/dbraw/zinc/70/22/88/532702288.db2.gz XSEADWFWYFCJBP-GFCCVEGCSA-N 1 0 385.306 2.486 20 0 GEADRO Brc1cnc2c(C[NH2+][C@H]3CCOC4(CCOCC4)C3)cnn2c1 ZINC000638781102 532687065 /nfs/dbraw/zinc/68/70/65/532687065.db2.gz SGJZHHCWHIINGK-AWEZNQCLSA-N 1 0 381.274 2.310 20 0 GEADRO C[C@H](CNC(=O)c1[nH]c2ccccc2c1Br)N1CC[NH+](C)CC1 ZINC000265037079 532687226 /nfs/dbraw/zinc/68/72/26/532687226.db2.gz LMOWVJMORFDWMH-GFCCVEGCSA-N 1 0 379.302 2.296 20 0 GEADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000638768737 532687387 /nfs/dbraw/zinc/68/73/87/532687387.db2.gz DSZXAWKUPCDJLE-RDBSUJKOSA-N 1 0 385.302 2.226 20 0 GEADRO C[C@H](Cn1cccn1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000265042802 532687477 /nfs/dbraw/zinc/68/74/77/532687477.db2.gz IQHWKUBRHAQTCW-LLVKDONJSA-N 1 0 384.221 2.105 20 0 GEADRO Brc1cnc2c(C[NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)cnn2c1 ZINC000638763917 532687562 /nfs/dbraw/zinc/68/75/62/532687562.db2.gz LSSQKIKHSXLPSN-CVEARBPZSA-N 1 0 394.317 2.225 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298983860 532688352 /nfs/dbraw/zinc/68/83/52/532688352.db2.gz MXNCJSAXRQHQTQ-ZFWWWQNUSA-N 1 0 380.286 2.439 20 0 GEADRO Cc1ncc(S(=O)(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000378286900 532688931 /nfs/dbraw/zinc/68/89/31/532688931.db2.gz UIEHNIHYTMEMCS-OKILXGFUSA-N 1 0 387.571 2.352 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000378310192 532689167 /nfs/dbraw/zinc/68/91/67/532689167.db2.gz UIBQUDQSQFYOMA-RDJZCZTQSA-N 1 0 385.961 2.295 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378311878 532689569 /nfs/dbraw/zinc/68/95/69/532689569.db2.gz QZERDNPSFLQKFS-CZUORRHYSA-N 1 0 396.329 2.253 20 0 GEADRO COC(=O)COCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000602361092 532689982 /nfs/dbraw/zinc/68/99/82/532689982.db2.gz QOVWCHDUGYLTKR-AWEZNQCLSA-N 1 0 392.283 2.085 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000439367741 532690008 /nfs/dbraw/zinc/69/00/08/532690008.db2.gz XLODSPYUDRYLNE-LBPRGKRZSA-N 1 0 398.301 2.087 20 0 GEADRO CCC[C@@]1([NH2+]CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCOC1 ZINC000285544215 532690518 /nfs/dbraw/zinc/69/05/18/532690518.db2.gz LTSXRMPMWUOGML-MRXNPFEDSA-N 1 0 376.425 2.170 20 0 GEADRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000639236059 532690700 /nfs/dbraw/zinc/69/07/00/532690700.db2.gz XCMWGMONKXLCDI-GFCCVEGCSA-N 1 0 390.347 2.013 20 0 GEADRO C[N@H+](CCOc1ccc(Br)cc1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000641938080 532703766 /nfs/dbraw/zinc/70/37/66/532703766.db2.gz IGXSUVPLGKULBY-NVXWUHKLSA-N 1 0 388.302 2.316 20 0 GEADRO Cn1c(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc2sc3c(c2c1=O)CCC3 ZINC000537072999 532704307 /nfs/dbraw/zinc/70/43/07/532704307.db2.gz GBEWWTPPAUSNID-TXEJJXNPSA-N 1 0 377.535 2.439 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000387710015 532704981 /nfs/dbraw/zinc/70/49/81/532704981.db2.gz KWZOLRXOUMIZEL-CQSZACIVSA-N 1 0 389.315 2.286 20 0 GEADRO O=C(NCC[NH2+]C1CC1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000666869509 532705270 /nfs/dbraw/zinc/70/52/70/532705270.db2.gz MSMXLQNWBJLOLL-UHFFFAOYSA-N 1 0 383.290 2.159 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000299263466 532705902 /nfs/dbraw/zinc/70/59/02/532705902.db2.gz IVYSHZXBPCMTAV-UHFFFAOYSA-N 1 0 380.279 2.465 20 0 GEADRO OC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000391074526 532707062 /nfs/dbraw/zinc/70/70/62/532707062.db2.gz XGZRBCGBXGJPDS-IRXDYDNUSA-N 1 0 380.282 2.382 20 0 GEADRO C[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000440267140 532708686 /nfs/dbraw/zinc/70/86/86/532708686.db2.gz FSZDPOSDTCGTKA-SNVBAGLBSA-N 1 0 375.416 2.284 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H]1C ZINC000266218271 532708715 /nfs/dbraw/zinc/70/87/15/532708715.db2.gz LBXCEXHVWPHWJE-NEPJUHHUSA-N 1 0 385.295 2.097 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)NC[C@@H](C)CN2CCOCC2)s1 ZINC000266223720 532709291 /nfs/dbraw/zinc/70/92/91/532709291.db2.gz WZRVHVUBPLWKPV-SNVBAGLBSA-N 1 0 397.360 2.066 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000394085103 532710468 /nfs/dbraw/zinc/71/04/68/532710468.db2.gz QAFAGCGRDQIXGV-SNVBAGLBSA-N 1 0 380.208 2.101 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)C1 ZINC000608047637 532710871 /nfs/dbraw/zinc/71/08/71/532710871.db2.gz VYFGBOKOLQHQAU-DZGCQCFKSA-N 1 0 387.571 2.298 20 0 GEADRO CC[C@@](C)([NH3+])c1cn(CC(=O)Nc2ccccc2I)nn1 ZINC000395129517 532711550 /nfs/dbraw/zinc/71/15/50/532711550.db2.gz DYNAODKWGUBCKM-CQSZACIVSA-N 1 0 399.236 2.105 20 0 GEADRO [NH3+]Cc1cc(NC(=O)NC[C@@H]2CCCCS2(=O)=O)cc(C(F)(F)F)c1 ZINC000573784803 532711552 /nfs/dbraw/zinc/71/15/52/532711552.db2.gz WVECQKOMGWDHHW-ZDUSSCGKSA-N 1 0 379.404 2.253 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)cc2F)C1 ZINC000440397645 532711887 /nfs/dbraw/zinc/71/18/87/532711887.db2.gz IHCMXGCUUUUSHD-CQSZACIVSA-N 1 0 376.469 2.395 20 0 GEADRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000573761110 532712171 /nfs/dbraw/zinc/71/21/71/532712171.db2.gz ZPTQGVQWWWZUIZ-LBPRGKRZSA-N 1 0 376.238 2.226 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3cc(Br)cnc23)C[C@@H]1C ZINC000538742376 532718313 /nfs/dbraw/zinc/71/83/13/532718313.db2.gz KJQMUHJWTCKPJU-AAEUAGOBSA-N 1 0 380.290 2.437 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1)NCc1ccccc1Cl ZINC000574369224 532713017 /nfs/dbraw/zinc/71/30/17/532713017.db2.gz NRMAYRRESJUZQA-SFHVURJKSA-N 1 0 384.929 2.247 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc(I)cc32)CC[N@@H+]1C ZINC000408243889 532713090 /nfs/dbraw/zinc/71/30/90/532713090.db2.gz LCODZNCOBQOGHJ-ONGXEEELSA-N 1 0 398.248 2.380 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440435374 532714364 /nfs/dbraw/zinc/71/43/64/532714364.db2.gz BZHKAQNDFGXXTM-LBPRGKRZSA-N 1 0 380.491 2.203 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000440447472 532714749 /nfs/dbraw/zinc/71/47/49/532714749.db2.gz OQXSVBRUOAZHKT-GFCCVEGCSA-N 1 0 393.303 2.032 20 0 GEADRO CCCCN(C(=O)CN(CC)CCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000299426921 532715148 /nfs/dbraw/zinc/71/51/48/532715148.db2.gz TZUIHIHDUNRHJX-INIZCTEOSA-N 1 0 386.583 2.428 20 0 GEADRO O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000299414422 532715661 /nfs/dbraw/zinc/71/56/61/532715661.db2.gz QZXNAZRTPDAUCT-MRXNPFEDSA-N 1 0 382.551 2.041 20 0 GEADRO COc1cc(CNC(=O)NCC2CC[NH+](C)CC2)c(Br)cc1O ZINC000645266317 532716751 /nfs/dbraw/zinc/71/67/51/532716751.db2.gz WDEHCTRLOZNQQM-UHFFFAOYSA-N 1 0 386.290 2.304 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C1 ZINC000266383971 532717187 /nfs/dbraw/zinc/71/71/87/532717187.db2.gz IQWBJAVHCMOORO-DOMZBBRYSA-N 1 0 379.448 2.392 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1Br ZINC000494301209 532717382 /nfs/dbraw/zinc/71/73/82/532717382.db2.gz MLHSESZFLBWQGS-NSHDSACASA-N 1 0 383.290 2.224 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C[N@@H+]1C1CC1 ZINC000670495350 532717681 /nfs/dbraw/zinc/71/76/81/532717681.db2.gz FCJOYLDUBMPQBV-BXUZGUMPSA-N 1 0 384.307 2.394 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000646010394 532720384 /nfs/dbraw/zinc/72/03/84/532720384.db2.gz KNMQLWLZNNWPHS-ZIAGYGMSSA-N 1 0 385.555 2.135 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cscc1Br ZINC000575900701 532721651 /nfs/dbraw/zinc/72/16/51/532721651.db2.gz IVFXYIVDEJRAGI-GFCCVEGCSA-N 1 0 396.376 2.261 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc(N(C)C)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000497355009 532722006 /nfs/dbraw/zinc/72/20/06/532722006.db2.gz PSDWUKLZHOHYCB-VXGBXAGGSA-N 1 0 390.347 2.182 20 0 GEADRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000646108258 532722114 /nfs/dbraw/zinc/72/21/14/532722114.db2.gz QEHFRCQVFQEZIB-WFASDCNBSA-N 1 0 380.794 2.080 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2c(C)cc(Br)cc2C)[C@H](C[NH3+])C1 ZINC000440855099 532723269 /nfs/dbraw/zinc/72/32/69/532723269.db2.gz MTWLKDXOKZGJQK-UONOGXRCSA-N 1 0 391.331 2.193 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)[C@H](C[NH3+])C1 ZINC000440857423 532723355 /nfs/dbraw/zinc/72/33/55/532723355.db2.gz SVQKWJLFHRQXIL-WDEREUQCSA-N 1 0 397.722 2.229 20 0 GEADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000285971369 532723416 /nfs/dbraw/zinc/72/34/16/532723416.db2.gz DSVOFKPCSBVPQG-GDBMZVCRSA-N 1 0 385.555 2.153 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)C1 ZINC000646140337 532723493 /nfs/dbraw/zinc/72/34/93/532723493.db2.gz KZLQSAKKSCDUKA-JJXSEGSLSA-N 1 0 379.444 2.466 20 0 GEADRO C[NH+](C)CCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000299517331 532723709 /nfs/dbraw/zinc/72/37/09/532723709.db2.gz WUOBGNMVCIZXOV-UHFFFAOYSA-N 1 0 387.933 2.196 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCO1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000576117021 532723751 /nfs/dbraw/zinc/72/37/51/532723751.db2.gz CNCXQKIWLHXUTR-MRXNPFEDSA-N 1 0 382.869 2.399 20 0 GEADRO CC(C)[NH2+]CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000576138458 532723870 /nfs/dbraw/zinc/72/38/70/532723870.db2.gz WZXZHGIETXOWOW-ZDUSSCGKSA-N 1 0 397.317 2.409 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCOc2cccc(Br)c2C1 ZINC000612994562 532724335 /nfs/dbraw/zinc/72/43/35/532724335.db2.gz HLKUEIFOJWTASE-OAHLLOKOSA-N 1 0 380.286 2.495 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000612990584 532724541 /nfs/dbraw/zinc/72/45/41/532724541.db2.gz UFTFLLYPUCUHFE-GXTWGEPZSA-N 1 0 384.249 2.463 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000409528561 532724533 /nfs/dbraw/zinc/72/45/33/532724533.db2.gz LEWSEXTXOSPLOH-UHFFFAOYSA-N 1 0 391.331 2.314 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000539236354 532726767 /nfs/dbraw/zinc/72/67/67/532726767.db2.gz HUZHJZJEDWLNBW-UHFFFAOYSA-N 1 0 384.318 2.403 20 0 GEADRO O=C(COc1ccccc1Br)N1CCNC[C@H]1c1ccncc1 ZINC000576219277 532727202 /nfs/dbraw/zinc/72/72/02/532727202.db2.gz MVJGWCIDBRLPPO-HNNXBMFYSA-N 1 0 376.254 2.396 20 0 GEADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)NC(=O)NCC(F)(F)F ZINC000299564294 532727504 /nfs/dbraw/zinc/72/75/04/532727504.db2.gz NLFYGOAYKZGTHO-UHFFFAOYSA-N 1 0 394.191 2.416 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000442004884 532727579 /nfs/dbraw/zinc/72/75/79/532727579.db2.gz TYAMMICRGRJHSG-GFCCVEGCSA-N 1 0 396.285 2.139 20 0 GEADRO COC(=O)CC[N@@H+]1CCN(CCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000539322061 532728210 /nfs/dbraw/zinc/72/82/10/532728210.db2.gz SHKQWYXUPOEWHX-AWEZNQCLSA-N 1 0 385.302 2.397 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000266935718 532730219 /nfs/dbraw/zinc/73/02/19/532730219.db2.gz IRPNYWSPKDLDLU-KBPBESRZSA-N 1 0 396.285 2.139 20 0 GEADRO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H](C)Oc2ccccc2Br)C1 ZINC000500033989 532731128 /nfs/dbraw/zinc/73/11/28/532731128.db2.gz ZLJDELOYUWGMHQ-BBRMVZONSA-N 1 0 385.302 2.442 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000442594615 532731182 /nfs/dbraw/zinc/73/11/82/532731182.db2.gz DFGZDBRSOWGBLY-KBPBESRZSA-N 1 0 394.313 2.389 20 0 GEADRO COC(=O)c1c(C)c(C)sc1NC(=O)CN1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000539492704 532731651 /nfs/dbraw/zinc/73/16/51/532731651.db2.gz HSDHHVUWQPDNFK-OLZOCXBDSA-N 1 0 385.555 2.067 20 0 GEADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000577062428 532731912 /nfs/dbraw/zinc/73/19/12/532731912.db2.gz DIBXQJOENWALFX-MRXNPFEDSA-N 1 0 384.274 2.273 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613596510 532732260 /nfs/dbraw/zinc/73/22/60/532732260.db2.gz IVIFVYKMVFWJEW-CVEARBPZSA-N 1 0 382.302 2.474 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000577074494 532732373 /nfs/dbraw/zinc/73/23/73/532732373.db2.gz DVUJLZKMMAPVBP-JTQLQIEISA-N 1 0 378.420 2.337 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)C[C@@H]1[NH+]1CCCC1 ZINC000408445557 532718741 /nfs/dbraw/zinc/71/87/41/532718741.db2.gz YHQIAUWCJZCDEU-QWRGUYRKSA-N 1 0 395.344 2.242 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1nc(C2CC2)ncc1Br ZINC000494339444 532719001 /nfs/dbraw/zinc/71/90/01/532719001.db2.gz OMSTWEAYSWMJHN-UHFFFAOYSA-N 1 0 398.349 2.072 20 0 GEADRO C[C@H]1CN(CCNC(=O)Cc2cc(Cl)ccc2Br)CCO1 ZINC000676370407 532742732 /nfs/dbraw/zinc/74/27/32/532742732.db2.gz GNZFXBQKPLGNDN-NSHDSACASA-N 1 0 375.694 2.482 20 0 GEADRO NS(=O)(=O)c1cccnc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000301166180 532743111 /nfs/dbraw/zinc/74/31/11/532743111.db2.gz HZEBRFPZLGRXNL-UHFFFAOYSA-N 1 0 380.901 2.459 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000286389476 532743224 /nfs/dbraw/zinc/74/32/24/532743224.db2.gz GWPBQUVWDHJPPW-VHSXEESVSA-N 1 0 393.294 2.484 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579712207 532743449 /nfs/dbraw/zinc/74/34/49/532743449.db2.gz KMRXPPYAZYPFLA-BMFZPTHFSA-N 1 0 380.330 2.337 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000540731450 532744269 /nfs/dbraw/zinc/74/42/69/532744269.db2.gz JREIDVQZKAUUDS-LSDHHAIUSA-N 1 0 396.329 2.112 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C)C[C@@H]1[NH+](C)C ZINC000503248901 532744546 /nfs/dbraw/zinc/74/45/46/532744546.db2.gz XBNKPWLGEYCMME-STQMWFEESA-N 1 0 393.372 2.424 20 0 GEADRO Cn1ncc(NCCC[N@@H+]2CCc3ccccc3C2)c(Br)c1=O ZINC000301244717 532745939 /nfs/dbraw/zinc/74/59/39/532745939.db2.gz PNSBEVRXMVECNM-UHFFFAOYSA-N 1 0 377.286 2.403 20 0 GEADRO C[C@@H](CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)[NH+](C)C ZINC000267593258 532747338 /nfs/dbraw/zinc/74/73/38/532747338.db2.gz QGOWKUHOZPMUFW-NSHDSACASA-N 1 0 375.922 2.097 20 0 GEADRO C[NH+](C)CC1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000615513277 532747508 /nfs/dbraw/zinc/74/75/08/532747508.db2.gz NTSYAPCWORPHJN-UHFFFAOYSA-N 1 0 384.929 2.447 20 0 GEADRO O[C@@H](CN1CCOCC1)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503403992 532747582 /nfs/dbraw/zinc/74/75/82/532747582.db2.gz GJVJIUNYADMIAL-GOSISDBHSA-N 1 0 383.330 2.322 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000577088246 532733301 /nfs/dbraw/zinc/73/33/01/532733301.db2.gz TWZFSHKUTKJEGD-CJNGLKHVSA-N 1 0 396.329 2.397 20 0 GEADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000286205485 532734172 /nfs/dbraw/zinc/73/41/72/532734172.db2.gz QHIHJQAXVIBYDA-INMHGKMJSA-N 1 0 384.567 2.432 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000286213903 532734248 /nfs/dbraw/zinc/73/42/48/532734248.db2.gz CQOBAPZQVMDSCD-NWDGAFQWSA-N 1 0 377.432 2.416 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000673895127 532734561 /nfs/dbraw/zinc/73/45/61/532734561.db2.gz DHQYIGZHJLJRAL-CQSZACIVSA-N 1 0 377.312 2.122 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000442792007 532735310 /nfs/dbraw/zinc/73/53/10/532735310.db2.gz PHNDQXOFAQRJRG-GRYCIOLGSA-N 1 0 387.265 2.287 20 0 GEADRO CS[C@@H]1CN(C(=O)c2csc(-c3ncccn3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000614278285 532735356 /nfs/dbraw/zinc/73/53/56/532735356.db2.gz RJEGCLHMIDXNSZ-UONOGXRCSA-N 1 0 375.523 2.252 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500787610 532735820 /nfs/dbraw/zinc/73/58/20/532735820.db2.gz WSGCNAPFQKJTTC-UHFFFAOYSA-N 1 0 388.331 2.070 20 0 GEADRO CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000501127400 532736904 /nfs/dbraw/zinc/73/69/04/532736904.db2.gz GMQUTNTVCIBTSF-XHSDSOJGSA-N 1 0 387.615 2.266 20 0 GEADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000442990276 532737010 /nfs/dbraw/zinc/73/70/10/532737010.db2.gz JVDORTIYOZFCAU-UHFFFAOYSA-N 1 0 377.388 2.211 20 0 GEADRO O=C(CCc1cccc(F)c1Br)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614504598 532738320 /nfs/dbraw/zinc/73/83/20/532738320.db2.gz USTDOQOOFPQRHA-CQSZACIVSA-N 1 0 384.293 2.027 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(F)c(Br)c(Cl)c1 ZINC000614505680 532738797 /nfs/dbraw/zinc/73/87/97/532738797.db2.gz RMAPCIILFSFSHJ-NSHDSACASA-N 1 0 390.684 2.361 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1c(Cl)cc(F)cc1Br ZINC000614512518 532739468 /nfs/dbraw/zinc/73/94/68/532739468.db2.gz BAMNAMRSQXULIC-LLVKDONJSA-N 1 0 390.684 2.361 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)c(Cl)c1F ZINC000614505693 532739570 /nfs/dbraw/zinc/73/95/70/532739570.db2.gz RRJNXQUIAOIKLO-JTQLQIEISA-N 1 0 390.684 2.361 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc(F)c(F)cc1Br ZINC000286335434 532739802 /nfs/dbraw/zinc/73/98/02/532739802.db2.gz GMUJVZISCRWMCY-SNVBAGLBSA-N 1 0 377.229 2.312 20 0 GEADRO CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1Br ZINC000614504842 532740040 /nfs/dbraw/zinc/74/00/40/532740040.db2.gz HATFJDIBBCSGEP-CQSZACIVSA-N 1 0 380.330 2.233 20 0 GEADRO O=C(CCCc1ccccc1Br)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614506005 532740120 /nfs/dbraw/zinc/74/01/20/532740120.db2.gz CWRVBDBBWYFADO-INIZCTEOSA-N 1 0 380.330 2.278 20 0 GEADRO COC(=O)c1csc([C@@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000286335511 532740593 /nfs/dbraw/zinc/74/05/93/532740593.db2.gz YOTWFSZKYFIXCP-YMTOWFKASA-N 1 0 377.388 2.369 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000675781888 532740696 /nfs/dbraw/zinc/74/06/96/532740696.db2.gz FWCMRYVTJGFKDC-HNNXBMFYSA-N 1 0 382.302 2.026 20 0 GEADRO CCC(=O)N1CCC([NH2+]C[C@@H](O)COc2ccccc2Br)CC1 ZINC000675763789 532741067 /nfs/dbraw/zinc/74/10/67/532741067.db2.gz VXNBALIDQRKMQX-CQSZACIVSA-N 1 0 385.302 2.179 20 0 GEADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(Cl)sc1Cl ZINC000675818985 532741118 /nfs/dbraw/zinc/74/11/18/532741118.db2.gz IOFRYROLQBFRHV-JTQLQIEISA-N 1 0 386.370 2.283 20 0 GEADRO COC(=O)c1csc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000286345088 532741843 /nfs/dbraw/zinc/74/18/43/532741843.db2.gz YYXHWWIOTVRNMG-CMPLNLGQSA-N 1 0 389.520 2.082 20 0 GEADRO COC(=O)c1csc([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000286345091 532741937 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C[NH+](C)CCn1cc(NS(=O)(=O)c2csc3ccccc32)ccc1=O ZINC000506831270 532755696 /nfs/dbraw/zinc/75/56/96/532755696.db2.gz WRGUJHOUGJJNEK-UHFFFAOYSA-N 1 0 377.491 2.425 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000446961846 532756223 /nfs/dbraw/zinc/75/62/23/532756223.db2.gz DMMUIHLYDATEEN-UHFFFAOYSA-N 1 0 377.432 2.483 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)c1 ZINC000286585998 532756794 /nfs/dbraw/zinc/75/67/94/532756794.db2.gz ZSKQREBWEGAJAV-ZFWWWQNUSA-N 1 0 388.917 2.222 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1nc2ncc(Br)cn2n1 ZINC000618659115 532757492 /nfs/dbraw/zinc/75/74/92/532757492.db2.gz DHKNOTJLYNAJKS-LBPRGKRZSA-N 1 0 393.289 2.024 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc(F)c1Br ZINC000411361269 532758136 /nfs/dbraw/zinc/75/81/36/532758136.db2.gz QZDLBRCJCXUBRP-MFKMUULPSA-N 1 0 386.265 2.434 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc(F)c1Br ZINC000411361261 532758260 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NS(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)cc1C(F)(F)F ZINC000301976289 532762429 /nfs/dbraw/zinc/76/24/29/532762429.db2.gz DLVHANKRJIPMII-ZDUSSCGKSA-N 1 0 377.432 2.417 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620481532 532762610 /nfs/dbraw/zinc/76/26/10/532762610.db2.gz FXJUPHLJTCUQLL-CJNGLKHVSA-N 1 0 397.313 2.274 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301339363 532748987 /nfs/dbraw/zinc/74/89/87/532748987.db2.gz HPOSVTDPIICCPM-QJPTWQEYSA-N 1 0 377.290 2.046 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)C1 ZINC000286462955 532749137 /nfs/dbraw/zinc/74/91/37/532749137.db2.gz GLWUAKRGFFSPQT-NWDGAFQWSA-N 1 0 388.295 2.008 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br)C1CC1 ZINC000443736470 532749298 /nfs/dbraw/zinc/74/92/98/532749298.db2.gz XXMJPHYVGRLZPV-LBPRGKRZSA-N 1 0 390.228 2.122 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[N@@H+]1C ZINC000443719211 532749954 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COC(=O)c1ccc(C[NH2+]C(C)(C)CN2CCOCC2)c(Br)c1 ZINC000308585263 532777707 /nfs/dbraw/zinc/77/77/07/532777707.db2.gz HVPUZXWZOMHZES-UHFFFAOYSA-N 1 0 385.302 2.436 20 0 GEADRO CC(C)(CN1CCOCC1)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000308649682 532777735 /nfs/dbraw/zinc/77/77/35/532777735.db2.gz ZCCIYRJSLMFLDG-CYBMUJFWSA-N 1 0 377.312 2.434 20 0 GEADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1nc2cc(Br)cnc2[nH]1 ZINC000269255315 532777843 /nfs/dbraw/zinc/77/78/43/532777843.db2.gz JKQSYAFNUZROKG-CLYYMRHHSA-N 1 0 378.274 2.257 20 0 GEADRO COCC(COC)[NH+]1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000411856407 532777971 /nfs/dbraw/zinc/77/79/71/532777971.db2.gz HCCHDSRQBBFAIY-UHFFFAOYSA-N 1 0 375.282 2.367 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000269259087 532778569 /nfs/dbraw/zinc/77/85/69/532778569.db2.gz IORBURYFAHCWFM-GJZGRUSLSA-N 1 0 382.302 2.153 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cncs1)c1ccccc1Br ZINC000512884171 532778828 /nfs/dbraw/zinc/77/88/28/532778828.db2.gz 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GEADRO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000316009739 532782824 /nfs/dbraw/zinc/78/28/24/532782824.db2.gz JYJCYPGDJHTDLR-LBPRGKRZSA-N 1 0 390.299 2.277 20 0 GEADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000545204798 532783726 /nfs/dbraw/zinc/78/37/26/532783726.db2.gz GAEDADQWIBIHRR-CABCVRRESA-N 1 0 391.331 2.408 20 0 GEADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000287171329 532784872 /nfs/dbraw/zinc/78/48/72/532784872.db2.gz UQMFCWANVBSPJC-GDBMZVCRSA-N 1 0 386.945 2.491 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cn2cc(Br)cn2)on1 ZINC000269685466 532785837 /nfs/dbraw/zinc/78/58/37/532785837.db2.gz CRWLVFPRHDKOFD-HIFRSBDPSA-N 1 0 394.273 2.039 20 0 GEADRO O=C(Nc1cc(CSCCO)ccn1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412206806 532787071 /nfs/dbraw/zinc/78/70/71/532787071.db2.gz SZMBHMFSCGRNNV-INIZCTEOSA-N 1 0 381.567 2.463 20 0 GEADRO CNc1cc(I)ccc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000412352984 532789224 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C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(S(C)(=O)=O)cc1C(F)(F)F ZINC000287326077 532792254 /nfs/dbraw/zinc/79/22/54/532792254.db2.gz MKVYHSZARGUAOM-LBPRGKRZSA-N 1 0 379.448 2.157 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000270059033 532793497 /nfs/dbraw/zinc/79/34/97/532793497.db2.gz DZPJRFUIROTCIS-UHFFFAOYSA-N 1 0 392.880 2.033 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000458735409 532794468 /nfs/dbraw/zinc/79/44/68/532794468.db2.gz NRQNRNCBDRWCJI-YESZJQIVSA-N 1 0 396.329 2.451 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N(C)CC[N@H+](C)C2CC2)c1Br ZINC000287409496 532794498 /nfs/dbraw/zinc/79/44/98/532794498.db2.gz NDFBWUGJZFWTDQ-UHFFFAOYSA-N 1 0 383.290 2.367 20 0 GEADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCn1cc(Br)cn1 ZINC000287425216 532794869 /nfs/dbraw/zinc/79/48/69/532794869.db2.gz SMTHODRCFKJELJ-CYBMUJFWSA-N 1 0 386.315 2.488 20 0 GEADRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cn1 ZINC000458748577 532795005 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Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c(C)s1 ZINC000287682181 532806339 /nfs/dbraw/zinc/80/63/39/532806339.db2.gz MSLYHGRMHHUIQI-AAEUAGOBSA-N 1 0 386.461 2.343 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000271275835 532806630 /nfs/dbraw/zinc/80/66/30/532806630.db2.gz NFOFGVMHHDTQMU-ZDUSSCGKSA-N 1 0 378.274 2.192 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459697645 532797296 /nfs/dbraw/zinc/79/72/96/532797296.db2.gz YRDHLKYCYHFSRB-HIFRSBDPSA-N 1 0 385.302 2.070 20 0 GEADRO COc1nccnc1C[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685511 532797655 /nfs/dbraw/zinc/79/76/55/532797655.db2.gz AUEXJDVCXJGPKI-LBPRGKRZSA-N 1 0 384.249 2.328 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000287485005 532798089 /nfs/dbraw/zinc/79/80/89/532798089.db2.gz SENDLWBPUCQRLT-UHFFFAOYSA-N 1 0 383.290 2.368 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000550818559 532798726 /nfs/dbraw/zinc/79/87/26/532798726.db2.gz NTEKUYBCJRZNGG-GDBMZVCRSA-N 1 0 378.519 2.352 20 0 GEADRO COc1cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc(Br)c1O ZINC000551582025 532801106 /nfs/dbraw/zinc/80/11/06/532801106.db2.gz YCOZXSLJYHYXAZ-BXUZGUMPSA-N 1 0 376.291 2.411 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000551628696 532801389 /nfs/dbraw/zinc/80/13/89/532801389.db2.gz TYGOYJMAQYDXPP-CQSZACIVSA-N 1 0 398.345 2.297 20 0 GEADRO O=C(C[C@@H]1CSCCS1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270817537 532801754 /nfs/dbraw/zinc/80/17/54/532801754.db2.gz HUOOBXCOJAPGOB-KZNAEPCWSA-N 1 0 380.579 2.224 20 0 GEADRO Cc1nn2c(CN3CCC(N(C)S(C)(=O)=O)CC3)c(C(C)C)nc2s1 ZINC000329155072 532802849 /nfs/dbraw/zinc/80/28/49/532802849.db2.gz CHHBVDUPRCLIPO-UHFFFAOYSA-N 1 0 385.559 2.078 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000552335499 532803894 /nfs/dbraw/zinc/80/38/94/532803894.db2.gz UQNDSAVWNCWSKC-HNNXBMFYSA-N 1 0 382.917 2.327 20 0 GEADRO CCOc1cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)ccc1OC(F)F ZINC000271174679 532803968 /nfs/dbraw/zinc/80/39/68/532803968.db2.gz KANZOSSVYSCATP-ZDUSSCGKSA-N 1 0 378.441 2.187 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N[C@H](C)C[N@@H+]3CCC[C@@H](C)C3)cnc2c1Cl ZINC000329942530 532813012 /nfs/dbraw/zinc/81/30/12/532813012.db2.gz VRHJTZCKUZWVDP-VXGBXAGGSA-N 1 0 385.921 2.090 20 0 GEADRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000272102937 532813082 /nfs/dbraw/zinc/81/30/82/532813082.db2.gz LWPOANLTKQXGHG-UHFFFAOYSA-N 1 0 380.535 2.492 20 0 GEADRO COC(=O)CCN1CC[N@H+](C[C@H](O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000271792771 532811910 /nfs/dbraw/zinc/81/19/10/532811910.db2.gz VAIPRYZXFPDLEN-BBRMVZONSA-N 1 0 385.302 2.052 20 0 GEADRO O=C(Nc1ccncc1Br)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000272485837 532815603 /nfs/dbraw/zinc/81/56/03/532815603.db2.gz AGTPIZMEGTZDFJ-CABCVRRESA-N 1 0 383.290 2.343 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCCC(C)(C)S(C)(=O)=O ZINC000413731970 532814324 /nfs/dbraw/zinc/81/43/24/532814324.db2.gz XGOCCCJMOZBELL-JKSUJKDBSA-N 1 0 375.579 2.400 20 0 GEADRO C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272375337 532814443 /nfs/dbraw/zinc/81/44/43/532814443.db2.gz HAIBUJNMECZQOX-UKRRQHHQSA-N 1 0 382.917 2.262 20 0 GEADRO C[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CC[N@H+](C)CC1 ZINC000272740162 532817896 /nfs/dbraw/zinc/81/78/96/532817896.db2.gz CQKHLECQTKYYBO-LLVKDONJSA-N 1 0 376.400 2.360 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000288043460 532815998 /nfs/dbraw/zinc/81/59/98/532815998.db2.gz IUTZXPVAAXQOSC-DOMZBBRYSA-N 1 0 380.286 2.473 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cc4c(cc3Br)OCCO4)[C@H]2C1 ZINC000272468343 532816037 /nfs/dbraw/zinc/81/60/37/532816037.db2.gz LCJFMSMLXCOUEC-WFASDCNBSA-N 1 0 395.297 2.315 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000330230680 532816322 /nfs/dbraw/zinc/81/63/22/532816322.db2.gz QROQBXOTQAUQIX-RISCZKNCSA-N 1 0 377.432 2.349 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Br ZINC000288146405 532818465 /nfs/dbraw/zinc/81/84/65/532818465.db2.gz PBKAUZJWQCRLPA-FUNVUKJBSA-N 1 0 395.301 2.175 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)CCCC1 ZINC000272874348 532818798 /nfs/dbraw/zinc/81/87/98/532818798.db2.gz VLGLDYSWNYAFRN-UHFFFAOYSA-N 1 0 396.285 2.384 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000272860958 532818881 /nfs/dbraw/zinc/81/88/81/532818881.db2.gz QLAFZDPZTSGPSL-GXTWGEPZSA-N 1 0 384.885 2.078 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cnc1Br ZINC000272856326 532818889 /nfs/dbraw/zinc/81/88/89/532818889.db2.gz ONJYWPIRVZMTQD-CQSZACIVSA-N 1 0 395.301 2.178 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000288165676 532819010 /nfs/dbraw/zinc/81/90/10/532819010.db2.gz NFXXGKJCOCMPQY-JTQLQIEISA-N 1 0 379.258 2.002 20 0 GEADRO CCOC(=O)c1cc(Cl)c(OC[C@H](O)CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000414148748 532819509 /nfs/dbraw/zinc/81/95/09/532819509.db2.gz TXXYLEMSNSDNBB-CYBMUJFWSA-N 1 0 391.295 2.157 20 0 GEADRO COCCC[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(Br)cc1 ZINC000414200187 532820256 /nfs/dbraw/zinc/82/02/56/532820256.db2.gz XJWKDFQVYUUBAP-HZPDHXFCSA-N 1 0 383.290 2.159 20 0 GEADRO COc1cccc([C@@H](CNC(=O)c2cnn(C)c2Br)[NH+](C)C)c1 ZINC000273190448 532820859 /nfs/dbraw/zinc/82/08/59/532820859.db2.gz GUZNTEHTCRZLPM-CQSZACIVSA-N 1 0 381.274 2.224 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1cnc(N(C)C)n1C ZINC000414249300 532821229 /nfs/dbraw/zinc/82/12/29/532821229.db2.gz AKZQMNUBHIFBET-UHFFFAOYSA-N 1 0 380.290 2.285 20 0 GEADRO CCS(=O)(=O)CCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000414353686 532821944 /nfs/dbraw/zinc/82/19/44/532821944.db2.gz ZDTCOLHZGOWMLH-GFCCVEGCSA-N 1 0 376.906 2.480 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCCc2ccccn2)cc1Br ZINC000414364904 532822235 /nfs/dbraw/zinc/82/22/35/532822235.db2.gz ZOMJLRSPXZRYDV-UHFFFAOYSA-N 1 0 384.299 2.214 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000330611236 532822363 /nfs/dbraw/zinc/82/23/63/532822363.db2.gz PQGBGLUZPKAXOD-NWDGAFQWSA-N 1 0 394.324 2.382 20 0 GEADRO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCOCC1 ZINC000414362150 532822573 /nfs/dbraw/zinc/82/25/73/532822573.db2.gz JBVGZKXBYXLGJO-AWEZNQCLSA-N 1 0 391.331 2.391 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288280355 532823484 /nfs/dbraw/zinc/82/34/84/532823484.db2.gz XOQLHKPPIPSSMC-FUNVUKJBSA-N 1 0 395.301 2.175 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)s1 ZINC000414390870 532824671 /nfs/dbraw/zinc/82/46/71/532824671.db2.gz JUAHVMOVQVSOGM-DZGCQCFKSA-N 1 0 375.462 2.479 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccsc2Br)[C@H](C)C1 ZINC000288366311 532825394 /nfs/dbraw/zinc/82/53/94/532825394.db2.gz DSRFFZZNXYLQTQ-GHMZBOCLSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cncc(Br)c1)[NH+]1CCC(C)CC1 ZINC000330743058 532826301 /nfs/dbraw/zinc/82/63/01/532826301.db2.gz CJGMZUNMTNIXIZ-GFCCVEGCSA-N 1 0 376.320 2.243 20 0 GEADRO CC(C)n1cc2c(n1)C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC2 ZINC000414385528 532823996 /nfs/dbraw/zinc/82/39/96/532823996.db2.gz WZXTXMXLMQKDRS-CQSZACIVSA-N 1 0 382.917 2.412 20 0 GEADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000288293198 532823994 /nfs/dbraw/zinc/82/39/94/532823994.db2.gz HSLUPXWIPKRRDX-UHFFFAOYSA-N 1 0 399.925 2.005 20 0 GEADRO COC(=O)c1coc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000273425231 532824149 /nfs/dbraw/zinc/82/41/49/532824149.db2.gz RUTLXYFFNHJUCC-GFCCVEGCSA-N 1 0 384.226 2.358 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)s1 ZINC000414442910 532827873 /nfs/dbraw/zinc/82/78/73/532827873.db2.gz ZCUQEQOOJMNHQB-GFCCVEGCSA-N 1 0 375.462 2.371 20 0 GEADRO COC(C[N@H+](CCCO)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)OC ZINC000273664901 532830192 /nfs/dbraw/zinc/83/01/92/532830192.db2.gz YIMOVBOZCGXINX-RHSMWYFYSA-N 1 0 375.893 2.082 20 0 GEADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000330993769 532831384 /nfs/dbraw/zinc/83/13/84/532831384.db2.gz HWKICNPIIITNOO-KBPBESRZSA-N 1 0 391.331 2.408 20 0 GEADRO C[C@@H](C[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1)CC(F)(F)F ZINC000414522708 532831438 /nfs/dbraw/zinc/83/14/38/532831438.db2.gz DKBLEOQRONANNG-CYBMUJFWSA-N 1 0 380.432 2.386 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CCC1 ZINC000414549501 532831944 /nfs/dbraw/zinc/83/19/44/532831944.db2.gz ATKNHPNRRCRWFE-UHFFFAOYSA-N 1 0 386.315 2.401 20 0 GEADRO Cc1cc(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)sc1Cl ZINC000331001022 532832204 /nfs/dbraw/zinc/83/22/04/532832204.db2.gz FMLWFLVFBBHFHA-UHFFFAOYSA-N 1 0 379.979 2.404 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2ccccc2SCCC(N)=O)C[C@@H]1[NH+](C)C ZINC000273791592 532834394 /nfs/dbraw/zinc/83/43/94/532834394.db2.gz YPCKPRWOTTYZBY-ZFWWWQNUSA-N 1 0 382.555 2.163 20 0 GEADRO CS[C@@H]1CN(C(=O)Nc2ccccc2SCCC(N)=O)C[C@@H]1[NH+](C)C ZINC000273791586 532834812 /nfs/dbraw/zinc/83/48/12/532834812.db2.gz YPCKPRWOTTYZBY-DZGCQCFKSA-N 1 0 382.555 2.163 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414921014 532835921 /nfs/dbraw/zinc/83/59/21/532835921.db2.gz APCIYIZOXJQSBU-CYBMUJFWSA-N 1 0 385.306 2.391 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414921062 532836123 /nfs/dbraw/zinc/83/61/23/532836123.db2.gz APCIYIZOXJQSBU-ZDUSSCGKSA-N 1 0 385.306 2.391 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414933097 532836282 /nfs/dbraw/zinc/83/62/82/532836282.db2.gz TZCIONVQKCAWGW-OLZOCXBDSA-N 1 0 397.317 2.487 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000288732014 532836480 /nfs/dbraw/zinc/83/64/80/532836480.db2.gz BGANOXRNQLRBAU-HNNXBMFYSA-N 1 0 384.322 2.306 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(I)cc1Cl ZINC000414786917 532835075 /nfs/dbraw/zinc/83/50/75/532835075.db2.gz BVQZUKNUELOIHK-SECBINFHSA-N 1 0 395.628 2.055 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000331194856 532835464 /nfs/dbraw/zinc/83/54/64/532835464.db2.gz RLKJSTQAZHEDKE-CHWSQXEVSA-N 1 0 394.324 2.382 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414794642 532835525 /nfs/dbraw/zinc/83/55/25/532835525.db2.gz VYGRCRBMEUDICN-CJNGLKHVSA-N 1 0 397.313 2.493 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(OC)ccc2I)C1 ZINC000415073988 532837380 /nfs/dbraw/zinc/83/73/80/532837380.db2.gz OCJSWKNELIZLFP-JTQLQIEISA-N 1 0 389.237 2.373 20 0 GEADRO CCOc1c(Br)cc(Br)cc1CN(C)C[C@H](O)C[NH3+] ZINC000415054707 532837470 /nfs/dbraw/zinc/83/74/70/532837470.db2.gz MBPOWLVJIFRNMP-LLVKDONJSA-N 1 0 396.123 2.362 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(I)c(F)c2)C[C@H]1[NH3+] ZINC000415122163 532837630 /nfs/dbraw/zinc/83/76/30/532837630.db2.gz NOBGOVRSFMRHDH-LHLIQPBNSA-N 1 0 381.164 2.380 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2CNCCO2)cc(Br)c1OC(F)F ZINC000415090677 532837682 /nfs/dbraw/zinc/83/76/82/532837682.db2.gz AZKUHLZRGIPBMT-SNVBAGLBSA-N 1 0 381.217 2.137 20 0 GEADRO [NH3+]C[C@H]1CN(CCCOc2cccc(I)c2)CCCO1 ZINC000415107161 532837753 /nfs/dbraw/zinc/83/77/53/532837753.db2.gz KOCMDMJRPJLNLO-HNNXBMFYSA-N 1 0 390.265 2.110 20 0 GEADRO Cc1c(Br)cccc1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415092046 532838033 /nfs/dbraw/zinc/83/80/33/532838033.db2.gz DZYKYCUFTFYMQE-GFCCVEGCSA-N 1 0 383.290 2.076 20 0 GEADRO COc1c(Cl)cc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000415083516 532838120 /nfs/dbraw/zinc/83/81/20/532838120.db2.gz NMELUTJVUXKDEY-SNVBAGLBSA-N 1 0 389.283 2.321 20 0 GEADRO O=C(Nc1cc(F)c(I)c(F)c1)N1CCC[NH2+]CC1 ZINC000415126717 532838157 /nfs/dbraw/zinc/83/81/57/532838157.db2.gz UZISAYCPEAPRCA-UHFFFAOYSA-N 1 0 381.164 2.397 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000288776295 532838201 /nfs/dbraw/zinc/83/82/01/532838201.db2.gz PQPPIMNXUUDKOY-KBPBESRZSA-N 1 0 375.252 2.174 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000288800457 532838438 /nfs/dbraw/zinc/83/84/38/532838438.db2.gz IOBFSVJYIRTDQR-UHFFFAOYSA-N 1 0 397.324 2.391 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000331389993 532838620 /nfs/dbraw/zinc/83/86/20/532838620.db2.gz LOTRWRFLRAIIBG-KCXAZCMYSA-N 1 0 381.929 2.152 20 0 GEADRO CC1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000331425700 532839077 /nfs/dbraw/zinc/83/90/77/532839077.db2.gz QXCOJUCKIFTWFW-QGZVFWFLSA-N 1 0 394.313 2.181 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415222386 532839185 /nfs/dbraw/zinc/83/91/85/532839185.db2.gz ZRMCSAGKNDPJAE-LBPRGKRZSA-N 1 0 395.223 2.493 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415236402 532839194 /nfs/dbraw/zinc/83/91/94/532839194.db2.gz FOXNEOXLXGOOHZ-ZETCQYMHSA-N 1 0 381.164 2.382 20 0 GEADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000359997291 209212007 /nfs/dbraw/zinc/21/20/07/209212007.db2.gz JABAWVODLXSBCM-OXJNMPFZSA-N 1 0 387.524 2.343 20 0 GEADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)CC1 ZINC000359997295 209211975 /nfs/dbraw/zinc/21/19/75/209211975.db2.gz JABAWVODLXSBCM-UZLBHIALSA-N 1 0 387.524 2.343 20 0 GEADRO FC(F)(F)CC[NH+]1CCC(Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000359993974 209211046 /nfs/dbraw/zinc/21/10/46/209211046.db2.gz AOWUVQVMNTZBQH-UHFFFAOYSA-N 1 0 375.439 2.044 20 0 GEADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000415201059 532839258 /nfs/dbraw/zinc/83/92/58/532839258.db2.gz KFYAKRRBUOQCQJ-ZDUSSCGKSA-N 1 0 378.445 2.332 20 0 GEADRO O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000359870511 209197884 /nfs/dbraw/zinc/19/78/84/209197884.db2.gz MDCFSLRKNMFMNR-CQSZACIVSA-N 1 0 386.418 2.233 20 0 GEADRO CC1CC[NH+](CC2CCN(C(=O)c3ccc(CS(C)(=O)=O)o3)CC2)CC1 ZINC000359955484 209205701 /nfs/dbraw/zinc/20/57/01/209205701.db2.gz INPZBEPTHIAOSI-UHFFFAOYSA-N 1 0 382.526 2.408 20 0 GEADRO NC(=O)NCc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000359938474 209205234 /nfs/dbraw/zinc/20/52/34/209205234.db2.gz VEEZXSWGKDLNST-IBGZPJMESA-N 1 0 380.492 2.149 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCO1)c1ccc(F)cc1 ZINC000359925804 209204617 /nfs/dbraw/zinc/20/46/17/209204617.db2.gz CEODGZSPVOGNDV-GUDVDZBRSA-N 1 0 391.487 2.105 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000288830140 532839554 /nfs/dbraw/zinc/83/95/54/532839554.db2.gz OOUZRLMBXPUNGQ-UHFFFAOYSA-N 1 0 393.290 2.071 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000288825519 532839626 /nfs/dbraw/zinc/83/96/26/532839626.db2.gz LQRRHEKZBPQRHJ-AWEZNQCLSA-N 1 0 384.322 2.163 20 0 GEADRO CN(CC[NH3+])C(=O)Nc1ccc(I)cc1Br ZINC000415248587 532839826 /nfs/dbraw/zinc/83/98/26/532839826.db2.gz HBLWOYIGERDCDQ-UHFFFAOYSA-N 1 0 398.042 2.476 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415277527 532840345 /nfs/dbraw/zinc/84/03/45/532840345.db2.gz DZHFUHNRHXXCLA-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415285351 532840640 /nfs/dbraw/zinc/84/06/40/532840640.db2.gz RNLQETHHZNKDPE-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000415303675 532840910 /nfs/dbraw/zinc/84/09/10/532840910.db2.gz SSBAOJXSCQTFMZ-LBPRGKRZSA-N 1 0 378.885 2.146 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)cc1Br)C(=O)N1CCC[NH2+]CC1 ZINC000415309884 532841074 /nfs/dbraw/zinc/84/10/74/532841074.db2.gz NXLRNLUQBRDLLB-UHFFFAOYSA-N 1 0 394.191 2.228 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415333284 532841641 /nfs/dbraw/zinc/84/16/41/532841641.db2.gz OKDNBXNKCKHHNK-LLVKDONJSA-N 1 0 391.269 2.052 20 0 GEADRO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C ZINC000328618554 209148501 /nfs/dbraw/zinc/14/85/01/209148501.db2.gz DVWJAXIKYBWBST-CNNODRBYSA-N 1 0 384.524 2.404 20 0 GEADRO CC[N@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000186637463 209137465 /nfs/dbraw/zinc/13/74/65/209137465.db2.gz RVIIKXJJQGZIEM-LJQANCHMSA-N 1 0 387.524 2.296 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415331978 532841980 /nfs/dbraw/zinc/84/19/80/532841980.db2.gz MYGVEOODXIXBFI-NSHDSACASA-N 1 0 391.269 2.052 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415339737 532842038 /nfs/dbraw/zinc/84/20/38/532842038.db2.gz YPTXEAFXZUFTEB-LLVKDONJSA-N 1 0 391.269 2.052 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000331677110 532842149 /nfs/dbraw/zinc/84/21/49/532842149.db2.gz ZZKYVNISUAWYLC-SNVBAGLBSA-N 1 0 398.248 2.191 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000415342597 532842167 /nfs/dbraw/zinc/84/21/67/532842167.db2.gz AJHOVIQTYRSPCO-NEPJUHHUSA-N 1 0 398.301 2.291 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415348837 532842206 /nfs/dbraw/zinc/84/22/06/532842206.db2.gz LAASOLWBWHSNTR-MNOVXSKESA-N 1 0 386.265 2.339 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415348374 532842357 /nfs/dbraw/zinc/84/23/57/532842357.db2.gz VKGCCIXUBNJVTB-MRVPVSSYSA-N 1 0 394.191 2.227 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000415359325 532842593 /nfs/dbraw/zinc/84/25/93/532842593.db2.gz WEHMVMYTVXCLLT-SECBINFHSA-N 1 0 379.766 2.027 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415359548 532842778 /nfs/dbraw/zinc/84/27/78/532842778.db2.gz YPUDRXYSVVHKJS-WDEREUQCSA-N 1 0 386.265 2.339 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000331697803 532842834 /nfs/dbraw/zinc/84/28/34/532842834.db2.gz ZLSNNQNJRHYUBG-NSHDSACASA-N 1 0 388.331 2.231 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415383809 532843440 /nfs/dbraw/zinc/84/34/40/532843440.db2.gz YCWUWSYCGVAGLK-LLVKDONJSA-N 1 0 375.416 2.332 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2OC(C)C)C1 ZINC000415382020 532843659 /nfs/dbraw/zinc/84/36/59/532843659.db2.gz VQXGEYCSSFRDMI-ZDUSSCGKSA-N 1 0 398.301 2.385 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)c(F)cc1C)[C@H]1CC[NH2+]C1 ZINC000415382788 532843669 /nfs/dbraw/zinc/84/36/69/532843669.db2.gz AYFQMSQGBPPXCQ-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO CCCN(C(=O)C(=O)Nc1c(C)ccc(F)c1Br)[C@@H]1CC[NH2+]C1 ZINC000415385316 532843679 /nfs/dbraw/zinc/84/36/79/532843679.db2.gz DRDLHUGTMJFIRX-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000415384668 532843681 /nfs/dbraw/zinc/84/36/81/532843681.db2.gz VERGGPDNPSDUSM-ZDUSSCGKSA-N 1 0 376.507 2.409 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000288989245 532843691 /nfs/dbraw/zinc/84/36/91/532843691.db2.gz RWHUBLVZCCTFNK-WFASDCNBSA-N 1 0 394.313 2.149 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415400951 532843890 /nfs/dbraw/zinc/84/38/90/532843890.db2.gz WRRZUPDCVURLNF-LLVKDONJSA-N 1 0 391.269 2.052 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415394332 532844093 /nfs/dbraw/zinc/84/40/93/532844093.db2.gz MFWNTDCRTHPGFU-NSHDSACASA-N 1 0 378.885 2.470 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415407797 532844232 /nfs/dbraw/zinc/84/42/32/532844232.db2.gz GKUJOBBENXEOHD-LBPRGKRZSA-N 1 0 398.301 2.211 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415408267 532844283 /nfs/dbraw/zinc/84/42/83/532844283.db2.gz BYWLMKPRSNEPFY-MRVPVSSYSA-N 1 0 396.207 2.378 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000274210208 532844294 /nfs/dbraw/zinc/84/42/94/532844294.db2.gz MZRXATGBSZQOCC-UHFFFAOYSA-N 1 0 386.290 2.161 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)ccc1OCC)[C@@H]1CC[NH2+]C1 ZINC000415407978 532844413 /nfs/dbraw/zinc/84/44/13/532844413.db2.gz RGMOBSSVNJYJDC-CYBMUJFWSA-N 1 0 398.301 2.387 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415408590 532844646 /nfs/dbraw/zinc/84/46/46/532844646.db2.gz RCMZSPBLCDIRLD-GFCCVEGCSA-N 1 0 398.301 2.292 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415426217 532845123 /nfs/dbraw/zinc/84/51/23/532845123.db2.gz AHQWGULFMCGCKZ-RKDXNWHRSA-N 1 0 390.228 2.252 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415437552 532845332 /nfs/dbraw/zinc/84/53/32/532845332.db2.gz KOBWUUCRJKCVHE-RYUDHWBXSA-N 1 0 398.301 2.372 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415432520 532845335 /nfs/dbraw/zinc/84/53/35/532845335.db2.gz FVEBXOZGRYBTFL-IUCAKERBSA-N 1 0 390.228 2.252 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000331842919 532845437 /nfs/dbraw/zinc/84/54/37/532845437.db2.gz BBDBGUQKYGINHU-HNNXBMFYSA-N 1 0 380.286 2.062 20 0 GEADRO Cc1cc(NC(=O)N2CCO[C@@H](C[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415432179 532845572 /nfs/dbraw/zinc/84/55/72/532845572.db2.gz UDABRCCOUIFIHL-LBPRGKRZSA-N 1 0 384.267 2.679 20 0 GEADRO Cc1cc(N2CCC[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)ccc1Br ZINC000274232494 532845643 /nfs/dbraw/zinc/84/56/43/532845643.db2.gz QXRMRMQMRNNLIN-MRXNPFEDSA-N 1 0 394.313 2.450 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C[C@@]1(C)C[NH3+] ZINC000415438003 532845600 /nfs/dbraw/zinc/84/56/00/532845600.db2.gz PSLHKQXRNZWBGH-QLJPJBMISA-N 1 0 375.441 2.476 20 0 GEADRO C[C@@H](CNC(=O)c1nc2ccc(Br)cn2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000331865665 532845856 /nfs/dbraw/zinc/84/58/56/532845856.db2.gz BXWQWDCUFSJOPL-NEPJUHHUSA-N 1 0 380.290 2.342 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)C1CC1 ZINC000415441146 532845864 /nfs/dbraw/zinc/84/58/64/532845864.db2.gz AFOSOCAFRKVSGP-NSHDSACASA-N 1 0 377.844 2.489 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415451946 532846041 /nfs/dbraw/zinc/84/60/41/532846041.db2.gz XRMFYSJEWRRNGN-NSHDSACASA-N 1 0 390.253 2.025 20 0 GEADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000415456808 532846408 /nfs/dbraw/zinc/84/64/08/532846408.db2.gz WIQCGHNPEBVXGG-LBPRGKRZSA-N 1 0 399.314 2.280 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)C1CC1 ZINC000415455248 532846663 /nfs/dbraw/zinc/84/66/63/532846663.db2.gz PKSNODGOAOPIKU-NSHDSACASA-N 1 0 379.766 2.073 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)c2ccc(Br)cc2-n2cncn2)CC[N@H+]1C ZINC000331914462 532846697 /nfs/dbraw/zinc/84/66/97/532846697.db2.gz NKFLGBVYGBTFQN-NEPJUHHUSA-N 1 0 378.274 2.194 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000331971910 532846952 /nfs/dbraw/zinc/84/69/52/532846952.db2.gz UNKRIZOBJTZDIS-UHOFOFEASA-N 1 0 394.313 2.308 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415483854 532846965 /nfs/dbraw/zinc/84/69/65/532846965.db2.gz BJSWXJXRHWMHIC-NSHDSACASA-N 1 0 391.269 2.146 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000415465375 532846357 /nfs/dbraw/zinc/84/63/57/532846357.db2.gz FIAXLAGLRLVNHE-MRVPVSSYSA-N 1 0 376.226 2.352 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415493839 532847453 /nfs/dbraw/zinc/84/74/53/532847453.db2.gz ZAQOQIKTRDXERR-OAHLLOKOSA-N 1 0 379.262 2.232 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415477449 532847005 /nfs/dbraw/zinc/84/70/05/532847005.db2.gz BBPYFNDGCUOYDR-UHFFFAOYSA-N 1 0 377.819 2.366 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415481812 532847024 /nfs/dbraw/zinc/84/70/24/532847024.db2.gz KRZGAOBPVMSEGF-MRVPVSSYSA-N 1 0 378.629 2.130 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)c(C)cc1OC ZINC000415499373 532848036 /nfs/dbraw/zinc/84/80/36/532848036.db2.gz OOKRMUTZPVZYOU-LLVKDONJSA-N 1 0 386.290 2.338 20 0 GEADRO C[C@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[NH2+]1 ZINC000415507555 532848235 /nfs/dbraw/zinc/84/82/35/532848235.db2.gz VVVRKAXSNHVIMS-VIFPVBQESA-N 1 0 382.287 2.793 20 0 GEADRO [NH3+]C1CCC(NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 ZINC000332075709 532848262 /nfs/dbraw/zinc/84/82/62/532848262.db2.gz YJZYMCKUVBMLAV-UHFFFAOYSA-N 1 0 398.305 2.072 20 0 GEADRO Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1Br ZINC000415505927 532848263 /nfs/dbraw/zinc/84/82/63/532848263.db2.gz QZXSFMHDVVFVTG-LBPRGKRZSA-N 1 0 383.290 2.076 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000274334572 532848199 /nfs/dbraw/zinc/84/81/99/532848199.db2.gz GQOJSLPYDWGFRG-UHFFFAOYSA-N 1 0 395.301 2.186 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415527710 532849020 /nfs/dbraw/zinc/84/90/20/532849020.db2.gz RMHDNVBDRHDYDQ-MNOVXSKESA-N 1 0 380.286 2.072 20 0 GEADRO O=C(Nc1nc2ccc(I)cc2s1)N[C@H]1CC[NH2+]C1 ZINC000415531648 532848870 /nfs/dbraw/zinc/84/88/70/532848870.db2.gz XCMOSKYTJVJRHX-QMMMGPOBSA-N 1 0 388.234 2.384 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415547902 532849270 /nfs/dbraw/zinc/84/92/70/532849270.db2.gz DKBNAGXIYACVHY-UHFFFAOYSA-N 1 0 398.276 2.437 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415537505 532849392 /nfs/dbraw/zinc/84/93/92/532849392.db2.gz GSDSRRWTTQMPMV-ZJUUUORDSA-N 1 0 375.803 2.118 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ncc1Br ZINC000415547201 532849570 /nfs/dbraw/zinc/84/95/70/532849570.db2.gz YZDRWGDGPLJUHD-CQSZACIVSA-N 1 0 395.301 2.082 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415536590 532849596 /nfs/dbraw/zinc/84/95/96/532849596.db2.gz ZYODREDHKXUHEW-VHSXEESVSA-N 1 0 375.416 2.317 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415553950 532849819 /nfs/dbraw/zinc/84/98/19/532849819.db2.gz PNAVXPULPPTQPV-SSDOTTSWSA-N 1 0 382.180 2.260 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415557230 532849824 /nfs/dbraw/zinc/84/98/24/532849824.db2.gz DGKSYSSXKGJRSZ-UHFFFAOYSA-N 1 0 398.179 2.141 20 0 GEADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)C[NH3+] ZINC000274424688 532850083 /nfs/dbraw/zinc/85/00/83/532850083.db2.gz MFXIGQVNOMAIEX-RNCFNFMXSA-N 1 0 378.325 2.308 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000274446544 532850535 /nfs/dbraw/zinc/85/05/35/532850535.db2.gz HSVDLYVYZNNXQB-ZDUSSCGKSA-N 1 0 379.448 2.418 20 0 GEADRO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000274453931 532850664 /nfs/dbraw/zinc/85/06/64/532850664.db2.gz ZJSWFZFTVKAUSH-ZDUSSCGKSA-N 1 0 380.539 2.132 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)[C@@H](C)C[NH2+]1 ZINC000415575297 532850713 /nfs/dbraw/zinc/85/07/13/532850713.db2.gz XDBISGOJUHRMSZ-QWRGUYRKSA-N 1 0 391.269 2.145 20 0 GEADRO C[C@H](C[NH3+])NC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000274463410 532850357 /nfs/dbraw/zinc/85/03/57/532850357.db2.gz VSPCCHWPYWDOLV-QMTHXVAHSA-N 1 0 386.265 2.046 20 0 GEADRO O=C(CCCOc1ccccc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289244248 532850867 /nfs/dbraw/zinc/85/08/67/532850867.db2.gz NCMHRRYBRAUIEY-HNNXBMFYSA-N 1 0 396.329 2.114 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(C)c1Br ZINC000332258974 532850878 /nfs/dbraw/zinc/85/08/78/532850878.db2.gz DDPAVRQQVJYQFE-STQMWFEESA-N 1 0 380.286 2.072 20 0 GEADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc(Br)c1F ZINC000415616578 532851206 /nfs/dbraw/zinc/85/12/06/532851206.db2.gz UENQFMBLTIBLCR-SECBINFHSA-N 1 0 388.237 2.496 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415615128 532851223 /nfs/dbraw/zinc/85/12/23/532851223.db2.gz OFVPCLZTVCCWOZ-BXKDBHETSA-N 1 0 375.803 2.037 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc(Br)c1F ZINC000415608043 532851227 /nfs/dbraw/zinc/85/12/27/532851227.db2.gz LMBRQHURVKJZQR-QPUJVOFHSA-N 1 0 388.237 2.494 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000415613703 532851248 /nfs/dbraw/zinc/85/12/48/532851248.db2.gz MIBRGLZWAXNKHK-GWCFXTLKSA-N 1 0 382.789 2.285 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415615130 532851292 /nfs/dbraw/zinc/85/12/92/532851292.db2.gz OFVPCLZTVCCWOZ-JOYOIKCWSA-N 1 0 375.803 2.037 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415636001 532851622 /nfs/dbraw/zinc/85/16/22/532851622.db2.gz KNAAAHFIKUZVRG-GFCCVEGCSA-N 1 0 379.262 2.246 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415620801 532851396 /nfs/dbraw/zinc/85/13/96/532851396.db2.gz VHJAFWMSNJJZDY-IINYFYTJSA-N 1 0 391.269 2.050 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415641744 532851960 /nfs/dbraw/zinc/85/19/60/532851960.db2.gz GGWOXVWILJUPPU-BDAKNGLRSA-N 1 0 376.201 2.052 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000415656112 532852115 /nfs/dbraw/zinc/85/21/15/532852115.db2.gz IPCLBONAOXSZKP-SECBINFHSA-N 1 0 376.682 2.464 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(Br)c(F)cc1C(=O)OC ZINC000415632965 532851783 /nfs/dbraw/zinc/85/17/83/532851783.db2.gz YSBKPLFETDHTBK-MRVPVSSYSA-N 1 0 376.226 2.352 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415649123 532852249 /nfs/dbraw/zinc/85/22/49/532852249.db2.gz PGBJJDJITLPQBL-CHWSQXEVSA-N 1 0 380.286 2.262 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000332348700 532852404 /nfs/dbraw/zinc/85/24/04/532852404.db2.gz OIQMWXXWKQUUFR-NJZAAPMLSA-N 1 0 380.286 2.282 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332343388 532852471 /nfs/dbraw/zinc/85/24/71/532852471.db2.gz SNYFFGXEJUIQEI-QWHCGFSZSA-N 1 0 380.286 2.072 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415664992 532852565 /nfs/dbraw/zinc/85/25/65/532852565.db2.gz ZMXSZYXWXFVIPF-JGVFFNPUSA-N 1 0 376.201 2.052 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415663434 532852620 /nfs/dbraw/zinc/85/26/20/532852620.db2.gz SCCINSQBQPFCPC-CPCISQLKSA-N 1 0 392.656 2.294 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415657760 532852653 /nfs/dbraw/zinc/85/26/53/532852653.db2.gz QOSQIVXFOOQHEY-MWLCHTKSSA-N 1 0 375.416 2.236 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000289343465 532852666 /nfs/dbraw/zinc/85/26/66/532852666.db2.gz XFLIPGPOTYLLEU-HDJSIYSDSA-N 1 0 385.555 2.028 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415674031 532853070 /nfs/dbraw/zinc/85/30/70/532853070.db2.gz DGYAQWMWYBCUKX-LBPRGKRZSA-N 1 0 398.301 2.292 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415676481 532853094 /nfs/dbraw/zinc/85/30/94/532853094.db2.gz MINFYLAXXKZXJO-WCQYABFASA-N 1 0 398.301 2.432 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332369660 532853140 /nfs/dbraw/zinc/85/31/40/532853140.db2.gz YRLRBBLWXVMRMN-UWVGGRQHSA-N 1 0 386.677 2.109 20 0 GEADRO CC[NH+]1CCC(NC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000332356335 532852871 /nfs/dbraw/zinc/85/28/71/532852871.db2.gz BUZHWUJMUZUUAP-UHFFFAOYSA-N 1 0 384.322 2.476 20 0 GEADRO Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(Br)c1 ZINC000332378662 532853693 /nfs/dbraw/zinc/85/36/93/532853693.db2.gz GXSJTXXWYXJTSM-INIZCTEOSA-N 1 0 394.313 2.182 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415671296 532853262 /nfs/dbraw/zinc/85/32/62/532853262.db2.gz CQPALBBPTKHQHS-VIFPVBQESA-N 1 0 390.228 2.253 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000332373807 532853838 /nfs/dbraw/zinc/85/38/38/532853838.db2.gz YYCJQEFNTLHHJS-PWSUYJOCSA-N 1 0 398.276 2.063 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415695829 532853920 /nfs/dbraw/zinc/85/39/20/532853920.db2.gz XRPOIARMHYFDBP-GFCCVEGCSA-N 1 0 398.301 2.292 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415696982 532854037 /nfs/dbraw/zinc/85/40/37/532854037.db2.gz VPCSLGDERRVMGR-KRWDZBQOSA-N 1 0 391.269 2.133 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1csc(Br)c1 ZINC000274704385 532854509 /nfs/dbraw/zinc/85/45/09/532854509.db2.gz ZJRZHMCRVYJQQX-LBPRGKRZSA-N 1 0 389.363 2.336 20 0 GEADRO COc1c(NC(=O)N[C@H](CC[NH3+])C(F)F)cc(Cl)cc1C(=O)N(C)C ZINC000415709985 532854661 /nfs/dbraw/zinc/85/46/61/532854661.db2.gz YURPWVFNDXLZNS-SNVBAGLBSA-N 1 0 378.807 2.154 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289407239 532854194 /nfs/dbraw/zinc/85/41/94/532854194.db2.gz UJHDFLQCJGRQRC-HOTGVXAUSA-N 1 0 385.302 2.050 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(I)cc2Cl)CCCO1 ZINC000332385178 532854350 /nfs/dbraw/zinc/85/43/50/532854350.db2.gz ZMJVPXWLVMFNQP-JTQLQIEISA-N 1 0 394.640 2.134 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415746907 532855424 /nfs/dbraw/zinc/85/54/24/532855424.db2.gz NZHQTBJEEHFHNN-WCQYABFASA-N 1 0 384.249 2.031 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)s1 ZINC000415744971 532855503 /nfs/dbraw/zinc/85/55/03/532855503.db2.gz LWXMSFFXNQQPKQ-NWDGAFQWSA-N 1 0 376.507 2.186 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415740403 532855522 /nfs/dbraw/zinc/85/55/22/532855522.db2.gz HALOMERPUXNUMC-SECBINFHSA-N 1 0 376.226 2.097 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415743214 532855620 /nfs/dbraw/zinc/85/56/20/532855620.db2.gz NWMZXLHARAZULF-SWLSCSKDSA-N 1 0 380.286 2.200 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415758155 532855937 /nfs/dbraw/zinc/85/59/37/532855937.db2.gz KASRFCFNRNSKRW-UHFFFAOYSA-N 1 0 378.217 2.300 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415756568 532855953 /nfs/dbraw/zinc/85/59/53/532855953.db2.gz LOQJWUQQWFETAG-QWHCGFSZSA-N 1 0 378.274 2.448 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CCC1 ZINC000332500138 532855987 /nfs/dbraw/zinc/85/59/87/532855987.db2.gz VSLXPHLUAVQRMT-UHFFFAOYSA-N 1 0 389.315 2.067 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1cc(Cl)ccc1I ZINC000415759387 532856090 /nfs/dbraw/zinc/85/60/90/532856090.db2.gz QFHYDCRHMNRULS-SECBINFHSA-N 1 0 395.628 2.055 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)C[C@@H]1C ZINC000332489674 532856301 /nfs/dbraw/zinc/85/63/01/532856301.db2.gz ACGOZONCXCYCAW-QWHCGFSZSA-N 1 0 395.297 2.138 20 0 GEADRO CN(C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC[NH2+]CC1 ZINC000415763895 532856471 /nfs/dbraw/zinc/85/64/71/532856471.db2.gz YCVXJZDSSBXTQC-UHFFFAOYSA-N 1 0 378.274 2.851 20 0 GEADRO COC(=O)CC1([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCOCC1 ZINC000274811538 532856817 /nfs/dbraw/zinc/85/68/17/532856817.db2.gz HYUJMCKBZYEYLW-CQSZACIVSA-N 1 0 390.249 2.324 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415778826 532856843 /nfs/dbraw/zinc/85/68/43/532856843.db2.gz GTTKOYBTLFCPFK-SSDOTTSWSA-N 1 0 398.179 2.140 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(I)cc2OC)C1 ZINC000415774369 532856927 /nfs/dbraw/zinc/85/69/27/532856927.db2.gz PNBFIQCKIUIFKK-JTQLQIEISA-N 1 0 375.210 2.125 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000415782470 532857209 /nfs/dbraw/zinc/85/72/09/532857209.db2.gz FDWJTBGXLHLMTJ-SNVBAGLBSA-N 1 0 378.217 2.103 20 0 GEADRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289513390 532857295 /nfs/dbraw/zinc/85/72/95/532857295.db2.gz NHOMTTUMXKLIMK-ZFWWWQNUSA-N 1 0 376.258 2.450 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000415770287 532857060 /nfs/dbraw/zinc/85/70/60/532857060.db2.gz BJBLWVNVWUSAMH-VIFPVBQESA-N 1 0 390.253 2.169 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C(F)F ZINC000415780491 532857089 /nfs/dbraw/zinc/85/70/89/532857089.db2.gz BNBLLGZBFXOANS-SECBINFHSA-N 1 0 384.608 2.140 20 0 GEADRO COc1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc(Br)c1OC(F)F ZINC000289537922 532857916 /nfs/dbraw/zinc/85/79/16/532857916.db2.gz HXUIHIINAYSRCH-GHMZBOCLSA-N 1 0 382.201 2.251 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000332600558 532857969 /nfs/dbraw/zinc/85/79/69/532857969.db2.gz KSKJIPMMWRVCQV-IUODEOHRSA-N 1 0 382.302 2.168 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415807908 532858259 /nfs/dbraw/zinc/85/82/59/532858259.db2.gz NQAIZOIUBYKTTE-JGVFFNPUSA-N 1 0 392.681 2.292 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415807911 532858340 /nfs/dbraw/zinc/85/83/40/532858340.db2.gz NQAIZOIUBYKTTE-YUMQZZPRSA-N 1 0 392.681 2.292 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415823403 532858776 /nfs/dbraw/zinc/85/87/76/532858776.db2.gz PUWIHDZVDMDHCQ-AWEZNQCLSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C[C@H]1[NH3+] ZINC000415826433 532859356 /nfs/dbraw/zinc/85/93/56/532859356.db2.gz CPBGAQLNXRMVTL-PSASIEDQSA-N 1 0 377.844 2.441 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@@]1(C)C[NH3+] ZINC000415834170 532859380 /nfs/dbraw/zinc/85/93/80/532859380.db2.gz AQORMCWUKSMLSK-BMLIUANNSA-N 1 0 395.301 2.103 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)C1CCCC1 ZINC000415832971 532859423 /nfs/dbraw/zinc/85/94/23/532859423.db2.gz HISRPQFFVVSWTO-GFCCVEGCSA-N 1 0 390.228 2.300 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc(C)c1Br ZINC000415831231 532859170 /nfs/dbraw/zinc/85/91/70/532859170.db2.gz HKGITKUKASJPJO-SNVBAGLBSA-N 1 0 396.207 2.400 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1Br ZINC000415830797 532859263 /nfs/dbraw/zinc/85/92/63/532859263.db2.gz GVJNZXXAAMCRDD-SNVBAGLBSA-N 1 0 382.180 2.092 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c2cccc(Cl)c21 ZINC000415836311 532859713 /nfs/dbraw/zinc/85/97/13/532859713.db2.gz MOUQWAYDXVGUOG-NSHDSACASA-N 1 0 377.794 2.360 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415837671 532859767 /nfs/dbraw/zinc/85/97/67/532859767.db2.gz NJVZNEKWEYMKMR-SFYZADRCSA-N 1 0 392.656 2.424 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[C@@]1(C)C[NH3+] ZINC000415844392 532860100 /nfs/dbraw/zinc/86/01/00/532860100.db2.gz UBUYMYLAGQYSQC-ANRSDYALSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C[C@@H]1C[NH3+] ZINC000415845496 532860148 /nfs/dbraw/zinc/86/01/48/532860148.db2.gz JYGRQJRZHYAXKN-BDAKNGLRSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C[C@H]1C[NH3+] ZINC000415846121 532860269 /nfs/dbraw/zinc/86/02/69/532860269.db2.gz KODHWWNIHXNBRK-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415854970 532860538 /nfs/dbraw/zinc/86/05/38/532860538.db2.gz NXTFGBKUXBQZIC-CHWSQXEVSA-N 1 0 380.286 2.236 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(Br)c1 ZINC000289605587 532860544 /nfs/dbraw/zinc/86/05/44/532860544.db2.gz KZSJDLLAQFAHFX-SJKOYZFVSA-N 1 0 396.285 2.410 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@H]1C[NH3+] ZINC000415852101 532860610 /nfs/dbraw/zinc/86/06/10/532860610.db2.gz QCJJELUTEQRVAQ-CMPLNLGQSA-N 1 0 395.301 2.103 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000332694707 532860645 /nfs/dbraw/zinc/86/06/45/532860645.db2.gz VRINNWMXEHVHGT-XNRPHZJLSA-N 1 0 394.313 2.401 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[C@@H]1C[NH3+] ZINC000415854692 532860663 /nfs/dbraw/zinc/86/06/63/532860663.db2.gz XBRGAUTWRWJOOC-BDAKNGLRSA-N 1 0 390.228 2.109 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC000415864097 532861049 /nfs/dbraw/zinc/86/10/49/532861049.db2.gz HINLOZKJGFGEKL-QWRGUYRKSA-N 1 0 386.279 2.399 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000332693531 532860873 /nfs/dbraw/zinc/86/08/73/532860873.db2.gz RFPWMERPSAXFEZ-AWEZNQCLSA-N 1 0 384.299 2.302 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000415858531 532860944 /nfs/dbraw/zinc/86/09/44/532860944.db2.gz KCNYXRSBXCHCHT-AWEZNQCLSA-N 1 0 395.301 2.019 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cccc(Br)c1Cl ZINC000415879961 532861570 /nfs/dbraw/zinc/86/15/70/532861570.db2.gz QMMDHRYYMYDENR-UHFFFAOYSA-N 1 0 386.677 2.467 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415873287 532861707 /nfs/dbraw/zinc/86/17/07/532861707.db2.gz UHQWOVVPCIGWFJ-GARJFASQSA-N 1 0 384.249 2.031 20 0 GEADRO O=C(Nc1cccc2c(Br)ccnc12)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415872642 532861725 /nfs/dbraw/zinc/86/17/25/532861725.db2.gz SQYFFFIFHAQQOT-NSHDSACASA-N 1 0 391.269 2.194 20 0 GEADRO O=C(Nc1c[nH]cc(Br)c1=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000332812817 532861823 /nfs/dbraw/zinc/86/18/23/532861823.db2.gz WGVOGGRVOJQIOJ-LLVKDONJSA-N 1 0 386.315 2.293 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)c(F)cc1Br ZINC000415901229 532861853 /nfs/dbraw/zinc/86/18/53/532861853.db2.gz XDGHRMZEFKQYOV-UHFFFAOYSA-N 1 0 384.249 2.261 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cccc(Cl)c1Br ZINC000415883673 532861937 /nfs/dbraw/zinc/86/19/37/532861937.db2.gz YRPNCSSCZFILHY-UHFFFAOYSA-N 1 0 386.677 2.467 20 0 GEADRO C[NH2+]Cc1ccccc1NC(=O)NCCn1cc(Br)ccc1=O ZINC000415894963 532861965 /nfs/dbraw/zinc/86/19/65/532861965.db2.gz ARVWPGFSTVYSFK-UHFFFAOYSA-N 1 0 379.258 2.152 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000275037989 532862281 /nfs/dbraw/zinc/86/22/81/532862281.db2.gz QQBIMYAPAXEDCB-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000332902208 532862339 /nfs/dbraw/zinc/86/23/39/532862339.db2.gz SAXJVLCWSNJDQA-WHEFHEQHSA-N 1 0 387.615 2.289 20 0 GEADRO CC(C)C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C(=O)Nc1nccs1 ZINC000416001902 532862474 /nfs/dbraw/zinc/86/24/74/532862474.db2.gz ATICSEAJCLLDND-VHSXEESVSA-N 1 0 381.424 2.075 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCCOc1ccc(Br)cc1)C(F)(F)F ZINC000415991129 532862529 /nfs/dbraw/zinc/86/25/29/532862529.db2.gz FJQKNYNOUAHTBL-NSHDSACASA-N 1 0 384.196 2.407 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(F)(F)F ZINC000416005935 532863119 /nfs/dbraw/zinc/86/31/19/532863119.db2.gz KLBYRNRAKDAAHE-JOYOIKCWSA-N 1 0 378.782 2.024 20 0 GEADRO O=C(Nc1cncc(Br)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333077186 532863800 /nfs/dbraw/zinc/86/38/00/532863800.db2.gz ACKQNWSGMUPGFP-UHFFFAOYSA-N 1 0 382.306 2.182 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000289696497 532863559 /nfs/dbraw/zinc/86/35/59/532863559.db2.gz KFTQXOQHEJXWCM-LLVKDONJSA-N 1 0 376.320 2.309 20 0 GEADRO Cc1cc(C(C)(C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)ccc1Br ZINC000289726871 532864056 /nfs/dbraw/zinc/86/40/56/532864056.db2.gz DDLONOXPDUQBCG-UHFFFAOYSA-N 1 0 380.286 2.180 20 0 GEADRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000275124825 532865537 /nfs/dbraw/zinc/86/55/37/532865537.db2.gz QFJKMKCTAPZSOT-AAEUAGOBSA-N 1 0 380.794 2.080 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1C(F)F ZINC000333195242 532865750 /nfs/dbraw/zinc/86/57/50/532865750.db2.gz TWIPTSSOJFMYGM-ZDUSSCGKSA-N 1 0 376.473 2.305 20 0 GEADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333193296 532866055 /nfs/dbraw/zinc/86/60/55/532866055.db2.gz VPWWRVRXOBTLOZ-WDEREUQCSA-N 1 0 377.436 3.029 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1C(F)F ZINC000333195241 532865866 /nfs/dbraw/zinc/86/58/66/532865866.db2.gz TWIPTSSOJFMYGM-CYBMUJFWSA-N 1 0 376.473 2.305 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333190634 532866079 /nfs/dbraw/zinc/86/60/79/532866079.db2.gz UXXCOHMMEIZPSO-INIZCTEOSA-N 1 0 391.273 2.247 20 0 GEADRO OCc1cn(CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)nn1 ZINC000289837805 532866240 /nfs/dbraw/zinc/86/62/40/532866240.db2.gz PSNJQIHGAWFIAQ-HNNXBMFYSA-N 1 0 381.274 2.427 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1Br ZINC000275158758 532866889 /nfs/dbraw/zinc/86/68/89/532866889.db2.gz RCWGIJUWYLXCCU-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cnn4cc(Br)cnc34)sc2C1 ZINC000289886109 532866939 /nfs/dbraw/zinc/86/69/39/532866939.db2.gz MHVPZIACNYWKRH-QMMMGPOBSA-N 1 0 393.270 2.017 20 0 GEADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333354709 532867330 /nfs/dbraw/zinc/86/73/30/532867330.db2.gz RXCRXCQTVGKQID-PWSUYJOCSA-N 1 0 394.298 2.793 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4ccc(Br)cc4c3O)[C@@H]2C1 ZINC000333354818 532867391 /nfs/dbraw/zinc/86/73/91/532867391.db2.gz SGNURMVYWWRHIL-MEDUHNTESA-N 1 0 390.281 2.457 20 0 GEADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289922811 532868251 /nfs/dbraw/zinc/86/82/51/532868251.db2.gz VGLDZIKLIXCNKM-NWDGAFQWSA-N 1 0 393.260 2.455 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000333478070 532869217 /nfs/dbraw/zinc/86/92/17/532869217.db2.gz BSDDPQAVTJUERZ-CZUORRHYSA-N 1 0 376.881 2.386 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000289983394 532869276 /nfs/dbraw/zinc/86/92/76/532869276.db2.gz OEISEYQAPGVLNN-KGLIPLIRSA-N 1 0 378.274 2.416 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)C[C@H]2CCCCC2(F)F)CC1 ZINC000333491088 532869281 /nfs/dbraw/zinc/86/92/81/532869281.db2.gz DHPQYZUYUSZXRB-OAGGEKHMSA-N 1 0 380.501 2.360 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCc1cc(Br)cs1 ZINC000416297445 532869360 /nfs/dbraw/zinc/86/93/60/532869360.db2.gz PSGKJSMBOUKQLA-VXGBXAGGSA-N 1 0 375.332 2.357 20 0 GEADRO O=C(c1cc(F)ccc1Br)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333482592 532869422 /nfs/dbraw/zinc/86/94/22/532869422.db2.gz HNIAQAYNALGOTC-CYBMUJFWSA-N 1 0 398.276 2.015 20 0 GEADRO C[NH+](C)C1(CNC(=O)CCOc2cccc(I)c2)CC1 ZINC000416310089 532870159 /nfs/dbraw/zinc/87/01/59/532870159.db2.gz YTDGUFZGBTXSHP-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290015865 532870186 /nfs/dbraw/zinc/87/01/86/532870186.db2.gz FCGNHDJIAOAHRS-OLZOCXBDSA-N 1 0 375.270 2.316 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2c[nH]c3cc(Br)ccc23)[C@@H](C)C[N@@H+]1CCO ZINC000416315202 532870379 /nfs/dbraw/zinc/87/03/79/532870379.db2.gz UIDZCGLLYRIGNR-OLZOCXBDSA-N 1 0 394.313 2.386 20 0 GEADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000290020689 532870509 /nfs/dbraw/zinc/87/05/09/532870509.db2.gz RBYOCKYYBONRNI-GHMZBOCLSA-N 1 0 380.388 2.315 20 0 GEADRO O=C(Cc1cc(Cl)ccc1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333568432 532870789 /nfs/dbraw/zinc/87/07/89/532870789.db2.gz XPBKXJAPALWMKE-OAHLLOKOSA-N 1 0 384.307 2.349 20 0 GEADRO CN(C)c1cc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)ncc1Br ZINC000333667321 532871353 /nfs/dbraw/zinc/87/13/53/532871353.db2.gz NCFUNBVVCMRYFO-BXUZGUMPSA-N 1 0 382.306 2.468 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333579841 532871021 /nfs/dbraw/zinc/87/10/21/532871021.db2.gz ZNPVBWPVFZJUDI-HNNXBMFYSA-N 1 0 394.313 2.184 20 0 GEADRO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333547874 532871031 /nfs/dbraw/zinc/87/10/31/532871031.db2.gz MAAXSCHAIKDCLM-WOSRLPQWSA-N 1 0 392.297 2.012 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000290061866 532871563 /nfs/dbraw/zinc/87/15/63/532871563.db2.gz HICKERBOAUYXIA-LBPRGKRZSA-N 1 0 379.263 2.206 20 0 GEADRO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000290091272 532872102 /nfs/dbraw/zinc/87/21/02/532872102.db2.gz XDPDJLFKMNMKRY-GFCCVEGCSA-N 1 0 395.276 2.189 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333692392 532871804 /nfs/dbraw/zinc/87/18/04/532871804.db2.gz CQHFBJBJAONPTN-ISTVAULSSA-N 1 0 384.249 2.273 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000333698226 532871921 /nfs/dbraw/zinc/87/19/21/532871921.db2.gz QMGJOGIWEIXCJM-GFCCVEGCSA-N 1 0 385.295 2.213 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416368796 532872228 /nfs/dbraw/zinc/87/22/28/532872228.db2.gz IIRXGOXEZGCRJC-LLVKDONJSA-N 1 0 375.922 2.017 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CCCO1 ZINC000333742658 532873011 /nfs/dbraw/zinc/87/30/11/532873011.db2.gz JBHMHVNPQQBLEK-BPUTZDHNSA-N 1 0 382.302 2.454 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000275326213 532872801 /nfs/dbraw/zinc/87/28/01/532872801.db2.gz PNJIOBISWDXBLZ-UHFFFAOYSA-N 1 0 376.682 2.292 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c2ccsc2S1(=O)=O ZINC000333789049 532873395 /nfs/dbraw/zinc/87/33/95/532873395.db2.gz MFEGWAAZNWPMSE-OPYWOCCESA-N 1 0 383.539 2.124 20 0 GEADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(OC)c1 ZINC000290135483 532873510 /nfs/dbraw/zinc/87/35/10/532873510.db2.gz NHSFFZRJPOFHIJ-NSHDSACASA-N 1 0 392.315 2.381 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000333745309 532873163 /nfs/dbraw/zinc/87/31/63/532873163.db2.gz JKISTRMKWFNHEX-WFASDCNBSA-N 1 0 385.555 2.386 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000416379135 532873679 /nfs/dbraw/zinc/87/36/79/532873679.db2.gz ZYWIUZAFZOIHCU-GFCCVEGCSA-N 1 0 387.933 2.161 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000333851589 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COCCc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1 ZINC000275435622 532876211 /nfs/dbraw/zinc/87/62/11/532876211.db2.gz FZCLDMUHUSBIQO-MSOLQXFVSA-N 1 0 384.567 2.076 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1Br ZINC000290263105 532876520 /nfs/dbraw/zinc/87/65/20/532876520.db2.gz CYTOWAQZAHMYTN-LLVKDONJSA-N 1 0 386.290 2.241 20 0 GEADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(Br)cn1 ZINC000334064738 532877848 /nfs/dbraw/zinc/87/78/48/532877848.db2.gz ONRYVRNEONRVPI-CHWSQXEVSA-N 1 0 399.333 2.392 20 0 GEADRO C[NH2+]CCN(C)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417183403 532878966 /nfs/dbraw/zinc/87/89/66/532878966.db2.gz RNKFICSSOIIBAI-UHFFFAOYSA-N 1 0 384.318 2.358 20 0 GEADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N1CCC[NH2+]CC1 ZINC000417267519 532879384 /nfs/dbraw/zinc/87/93/84/532879384.db2.gz XVMPXVKCKOLTPY-CQSZACIVSA-N 1 0 381.318 2.280 20 0 GEADRO O=C(NCCSc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418918387 532881847 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CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423096861 532893653 /nfs/dbraw/zinc/89/36/53/532893653.db2.gz IHPONKVSQXKXPD-GDBMZVCRSA-N 1 0 394.313 2.008 20 0 GEADRO Cn1nccc1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000276341922 532893679 /nfs/dbraw/zinc/89/36/79/532893679.db2.gz UCEZZSOYAVYWHM-ZDUSSCGKSA-N 1 0 392.301 2.471 20 0 GEADRO C[C@H]1CC[NH2+]CC[C@@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000423099193 532893927 /nfs/dbraw/zinc/89/39/27/532893927.db2.gz FDPOSZNIKGESBA-FZMZJTMJSA-N 1 0 387.265 2.207 20 0 GEADRO OCC[NH2+]C1CCN(c2cc(Br)cnc2Br)CC1 ZINC000290972954 532893968 /nfs/dbraw/zinc/89/39/68/532893968.db2.gz QEZYOGAXLHGTAV-UHFFFAOYSA-N 1 0 379.096 2.157 20 0 GEADRO O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(Cc1cccs1)Cc1cccs1 ZINC000423013615 532892736 /nfs/dbraw/zinc/89/27/36/532892736.db2.gz GKPMXYFWAXFKRA-OKILXGFUSA-N 1 0 375.519 2.016 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)NC2(c3ccc(Br)cc3)CC2)nn1 ZINC000423053917 532893020 /nfs/dbraw/zinc/89/30/20/532893020.db2.gz SNPABHBHXXULOK-UHFFFAOYSA-N 1 0 378.274 2.199 20 0 GEADRO CN(CC(=O)NCc1ccc(Cl)s1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362254153 532895416 /nfs/dbraw/zinc/89/54/16/532895416.db2.gz GRWYNQUCWXXTOA-OAHLLOKOSA-N 1 0 384.977 2.118 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291070272 532895847 /nfs/dbraw/zinc/89/58/47/532895847.db2.gz LOCSSUMBYGSJRU-CABCVRRESA-N 1 0 380.432 2.143 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000291047911 532896002 /nfs/dbraw/zinc/89/60/02/532896002.db2.gz HQJZYFXXZXUGLF-UHFFFAOYSA-N 1 0 394.896 2.286 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362398781 532896039 /nfs/dbraw/zinc/89/60/39/532896039.db2.gz ZFXVFYIVKNMLGX-OLZOCXBDSA-N 1 0 377.963 2.048 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362397329 532896097 /nfs/dbraw/zinc/89/60/97/532896097.db2.gz RVMKAOJMKZUXAI-CZUORRHYSA-N 1 0 389.924 2.126 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)c1cncc(I)c1 ZINC000276443725 532896091 /nfs/dbraw/zinc/89/60/91/532896091.db2.gz VOJTYNGCYFDMRX-UHFFFAOYSA-N 1 0 375.254 2.490 20 0 GEADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000276470695 532896594 /nfs/dbraw/zinc/89/65/94/532896594.db2.gz MRDOQUOGSYVHOV-JTQLQIEISA-N 1 0 380.164 2.188 20 0 GEADRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c(C(F)F)n1 ZINC000291155527 532897349 /nfs/dbraw/zinc/89/73/49/532897349.db2.gz HRWQGRMQAOVCDL-UHFFFAOYSA-N 1 0 378.832 2.079 20 0 GEADRO Cc1cc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)sc1Cl ZINC000276538280 532897612 /nfs/dbraw/zinc/89/76/12/532897612.db2.gz CTQRMJFXINVFDS-UHFFFAOYSA-N 1 0 375.903 2.234 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cnc2Br)C1 ZINC000291286058 532899537 /nfs/dbraw/zinc/89/95/37/532899537.db2.gz IMKLYUSJPQWCNL-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@H+](CC(C)C)CC2)c1 ZINC000363675982 532900115 /nfs/dbraw/zinc/90/01/15/532900115.db2.gz ZJXKCSMWDIFPFQ-UHFFFAOYSA-N 1 0 387.933 2.052 20 0 GEADRO COC(=O)C1CCN(C(=O)C[N@H+](C)CCc2cccc(Br)c2)CC1 ZINC000291237416 532898938 /nfs/dbraw/zinc/89/89/38/532898938.db2.gz MULQCZDXIWXJLM-UHFFFAOYSA-N 1 0 397.313 2.335 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000291250911 532899107 /nfs/dbraw/zinc/89/91/07/532899107.db2.gz VXRNOXLKDGLFEE-NSHDSACASA-N 1 0 377.865 2.439 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000291415746 532901710 /nfs/dbraw/zinc/90/17/10/532901710.db2.gz WLAMEVAUHWJJPE-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)(CNC(=O)C(=O)Nc1cccnc1Br)C[NH+]1CCCC1 ZINC000276831960 532901779 /nfs/dbraw/zinc/90/17/79/532901779.db2.gz WUMTUNPQRWFHTD-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363946085 532902171 /nfs/dbraw/zinc/90/21/71/532902171.db2.gz RYGDUCQTAVWCQQ-STQMWFEESA-N 1 0 396.285 2.139 20 0 GEADRO O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000363738514 532900722 /nfs/dbraw/zinc/90/07/22/532900722.db2.gz NRDKDZCQIWULEE-CQSZACIVSA-N 1 0 376.473 2.177 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000363820836 532901335 /nfs/dbraw/zinc/90/13/35/532901335.db2.gz KBOOFEPZHLYMDS-INIZCTEOSA-N 1 0 384.498 2.364 20 0 GEADRO O=C(Nc1cc(F)ccc1Cl)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000363847322 532901513 /nfs/dbraw/zinc/90/15/13/532901513.db2.gz WEPBZFAMIRUPAM-CYBMUJFWSA-N 1 0 389.880 2.252 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)c1Br ZINC000363867912 532901567 /nfs/dbraw/zinc/90/15/67/532901567.db2.gz LSWKBWINCPYLEZ-UHFFFAOYSA-N 1 0 385.306 2.062 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000364260509 532905669 /nfs/dbraw/zinc/90/56/69/532905669.db2.gz RPXOEKRDNFTRNA-HUUCEWRRSA-N 1 0 389.315 2.350 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000364260507 532905498 /nfs/dbraw/zinc/90/54/98/532905498.db2.gz RPXOEKRDNFTRNA-CABCVRRESA-N 1 0 389.315 2.350 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291627228 532905551 /nfs/dbraw/zinc/90/55/51/532905551.db2.gz CYURJQPQGZFZKO-INIZCTEOSA-N 1 0 375.897 2.183 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C1 ZINC000291550246 532904042 /nfs/dbraw/zinc/90/40/42/532904042.db2.gz UEUDXOYPZJFVJT-SNVBAGLBSA-N 1 0 378.420 2.291 20 0 GEADRO [NH3+][C@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@H]1c1ccc(F)cc1 ZINC000364178838 532904162 /nfs/dbraw/zinc/90/41/62/532904162.db2.gz ARIPRQMGZLQOLG-STQMWFEESA-N 1 0 399.207 2.325 20 0 GEADRO O=C([N-]C[C@@H]1CCC[N@H+](Cc2cnc(C3OCCO3)s2)C1)C(F)(F)F ZINC000291577021 532904354 /nfs/dbraw/zinc/90/43/54/532904354.db2.gz OLHCYLYHKDQRMB-JTQLQIEISA-N 1 0 379.404 2.079 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)ccc1Br ZINC000364185490 532904486 /nfs/dbraw/zinc/90/44/86/532904486.db2.gz VGQQKJSKAHMDJY-GJZGRUSLSA-N 1 0 389.315 2.350 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1Br ZINC000364204872 532904820 /nfs/dbraw/zinc/90/48/20/532904820.db2.gz CAEKJFYXEGLXBA-LBPRGKRZSA-N 1 0 398.349 2.194 20 0 GEADRO C[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000364250414 532905194 /nfs/dbraw/zinc/90/51/94/532905194.db2.gz NEPOMZAHFDVFSP-QMMMGPOBSA-N 1 0 387.292 2.369 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000291651709 532906366 /nfs/dbraw/zinc/90/63/66/532906366.db2.gz DWTQAWBQIPTENZ-GXTWGEPZSA-N 1 0 395.301 2.034 20 0 GEADRO NC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)cc1 ZINC000277052574 532906957 /nfs/dbraw/zinc/90/69/57/532906957.db2.gz QNASNEYTGIHILX-OAHLLOKOSA-N 1 0 377.282 2.489 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000364609911 532907135 /nfs/dbraw/zinc/90/71/35/532907135.db2.gz VEWVBVIJTLVFKU-BLLLJJGKSA-N 1 0 376.284 2.429 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)CC[C@@H]21 ZINC000291708369 532907636 /nfs/dbraw/zinc/90/76/36/532907636.db2.gz JHTNKZMORCNCAX-ZJUUUORDSA-N 1 0 376.404 2.043 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(Br)c3F)C2)C1 ZINC000291855429 532909680 /nfs/dbraw/zinc/90/96/80/532909680.db2.gz IHUINXPWALHLEV-CQSZACIVSA-N 1 0 377.279 2.305 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3Br)[C@@H]2C1 ZINC000364855311 532908496 /nfs/dbraw/zinc/90/84/96/532908496.db2.gz PYXLIOUHZFJWEA-GXFFZTMASA-N 1 0 377.279 2.303 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2nc(C3CC3)ncc2Br)CCSC1 ZINC000291821350 532908927 /nfs/dbraw/zinc/90/89/27/532908927.db2.gz SEAYCABAOMZADD-HNNXBMFYSA-N 1 0 385.331 2.284 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000292035111 532912105 /nfs/dbraw/zinc/91/21/05/532912105.db2.gz LFZKSVZSWJCZIS-CHWSQXEVSA-N 1 0 395.301 2.176 20 0 GEADRO O=S1(=O)CCC([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000365829845 532912270 /nfs/dbraw/zinc/91/22/70/532912270.db2.gz DCAKRHXNBYSYAE-LBPRGKRZSA-N 1 0 397.850 2.499 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000292037321 532912308 /nfs/dbraw/zinc/91/23/08/532912308.db2.gz FMEHVTCYIBJTLR-UHFFFAOYSA-N 1 0 399.285 2.030 20 0 GEADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365814856 532912317 /nfs/dbraw/zinc/91/23/17/532912317.db2.gz TUVDEOLCUQWJRO-VIFPVBQESA-N 1 0 376.404 2.234 20 0 GEADRO O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365862717 532912527 /nfs/dbraw/zinc/91/25/27/532912527.db2.gz GDDIKOOEBLSESA-BBRMVZONSA-N 1 0 377.535 2.139 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000291970953 532911599 /nfs/dbraw/zinc/91/15/99/532911599.db2.gz SOVYHUQATWSLMN-NHYWBVRUSA-N 1 0 381.270 2.402 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Br)cnc1Cl ZINC000366190002 532915312 /nfs/dbraw/zinc/91/53/12/532915312.db2.gz GSLBBANQYXKGHT-LBPRGKRZSA-N 1 0 388.693 2.481 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1CN(C2CC2)CCO1)c1nc(C(F)(F)F)cs1 ZINC000366269715 532915606 /nfs/dbraw/zinc/91/56/06/532915606.db2.gz DGTNYUZXCDGEFB-GXSJLCMTSA-N 1 0 378.420 2.385 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Br)c4c(c3)OCCO4)C2)C1 ZINC000292094172 532912910 /nfs/dbraw/zinc/91/29/10/532912910.db2.gz DNZDVKAKTKVEBZ-QGZVFWFLSA-N 1 0 381.270 2.388 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1Br ZINC000292092666 532912959 /nfs/dbraw/zinc/91/29/59/532912959.db2.gz SOOCCNWIDWOLPX-HNNXBMFYSA-N 1 0 389.315 2.174 20 0 GEADRO COc1ccc(CNC(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1Br ZINC000366096990 532914375 /nfs/dbraw/zinc/91/43/75/532914375.db2.gz ZNRVEOHGQOMKDH-CQSZACIVSA-N 1 0 398.301 2.120 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCCCn3cc(Br)cn3)C2)C1 ZINC000292628774 532917038 /nfs/dbraw/zinc/91/70/38/532917038.db2.gz MPEWLPWVVFPWDU-INIZCTEOSA-N 1 0 384.322 2.163 20 0 GEADRO O=C(CN1CC[C@H]2C(=O)NC(=O)[C@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000366428542 532917151 /nfs/dbraw/zinc/91/71/51/532917151.db2.gz IDRZDIIPCIGYKL-SFYZADRCSA-N 1 0 390.654 2.180 20 0 GEADRO C[C@H](OC[C@@H](O)CN1CC[C@H](CS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000366416092 532917271 /nfs/dbraw/zinc/91/72/71/532917271.db2.gz GBVKNNLJBAXBHI-ZQIUZPCESA-N 1 0 375.918 2.145 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000366464864 532917544 /nfs/dbraw/zinc/91/75/44/532917544.db2.gz GOJCNEDJGKKRRB-GJZGRUSLSA-N 1 0 390.908 2.230 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366497596 532918140 /nfs/dbraw/zinc/91/81/40/532918140.db2.gz NIMLNZGOGHUZSQ-GOSISDBHSA-N 1 0 380.330 2.435 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000293101080 532921960 /nfs/dbraw/zinc/92/19/60/532921960.db2.gz BXXAMPAWCAFGPN-MRXNPFEDSA-N 1 0 384.249 2.081 20 0 GEADRO C[N@H+]1CC=C(CNc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000293096137 532922019 /nfs/dbraw/zinc/92/20/19/532922019.db2.gz PBKZRRPVWKZTFQ-UHFFFAOYSA-N 1 0 376.258 2.064 20 0 GEADRO COc1ccsc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000366935745 532922098 /nfs/dbraw/zinc/92/20/98/532922098.db2.gz KCGPQGPHSMLIKK-HUUCEWRRSA-N 1 0 382.507 2.189 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000366593844 532919458 /nfs/dbraw/zinc/91/94/58/532919458.db2.gz JXGYYJIBMCWPJF-CABCVRRESA-N 1 0 392.297 2.060 20 0 GEADRO Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000366651700 532919862 /nfs/dbraw/zinc/91/98/62/532919862.db2.gz WAFFZCGIXMWYPI-SMDDNHRTSA-N 1 0 388.946 2.496 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000366659463 532919918 /nfs/dbraw/zinc/91/99/18/532919918.db2.gz XQKISVYLVFMIIM-KGLIPLIRSA-N 1 0 376.881 2.089 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc2ccccc2nc1Br)C[NH+](C)C ZINC000293063074 532921665 /nfs/dbraw/zinc/92/16/65/532921665.db2.gz BLFGJLGEYMTJBR-NSHDSACASA-N 1 0 393.285 2.250 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)NCCc2cccc(C(F)(F)F)n2)CCSC1 ZINC000293122805 532922443 /nfs/dbraw/zinc/92/24/43/532922443.db2.gz QCYGXNPHMFOZIP-HNNXBMFYSA-N 1 0 376.448 2.379 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Cc1csc(N2CCOCC2)n1)c1cccs1 ZINC000367162394 532923265 /nfs/dbraw/zinc/92/32/65/532923265.db2.gz ARSGPGFTFBIIHX-AWEZNQCLSA-N 1 0 380.539 2.003 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000367202626 532923580 /nfs/dbraw/zinc/92/35/80/532923580.db2.gz WQAUIMFWPBAYRR-GJZGRUSLSA-N 1 0 384.343 2.099 20 0 GEADRO COCC[C@H](CO)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000367198423 532923610 /nfs/dbraw/zinc/92/36/10/532923610.db2.gz BPXKBHDEYZFJQC-MRXNPFEDSA-N 1 0 399.329 2.349 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000293335696 532925538 /nfs/dbraw/zinc/92/55/38/532925538.db2.gz WJHHWAMRMIPKIM-KRWDZBQOSA-N 1 0 380.286 2.250 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000367245197 532923799 /nfs/dbraw/zinc/92/37/99/532923799.db2.gz WEAZHOGAYXPBKE-WFASDCNBSA-N 1 0 393.285 2.264 20 0 GEADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000367384873 532924190 /nfs/dbraw/zinc/92/41/90/532924190.db2.gz IANVHVPKLWGXJP-YESZJQIVSA-N 1 0 378.314 2.059 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3c(F)cccc3Br)C2)C1 ZINC000293293947 532924765 /nfs/dbraw/zinc/92/47/65/532924765.db2.gz SDJNBFXJXJUSII-MRXNPFEDSA-N 1 0 384.249 2.081 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000367712495 532926666 /nfs/dbraw/zinc/92/66/66/532926666.db2.gz KJLXNDSFJFBWMO-LBPRGKRZSA-N 1 0 380.491 2.484 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C1CC1 ZINC000293465155 532927200 /nfs/dbraw/zinc/92/72/00/532927200.db2.gz RAUNINZZQNRDKF-UHFFFAOYSA-N 1 0 379.766 2.388 20 0 GEADRO Cc1cc(CCC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000368008695 532929454 /nfs/dbraw/zinc/92/94/54/532929454.db2.gz KFRNKOBGERKCET-MRXNPFEDSA-N 1 0 380.330 2.196 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)cc1Br ZINC000293635670 532929642 /nfs/dbraw/zinc/92/96/42/532929642.db2.gz YGEZCTYUEZRJSC-DOMZBBRYSA-N 1 0 377.286 2.433 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCCOCCO)CC1 ZINC000368129514 532930076 /nfs/dbraw/zinc/93/00/76/532930076.db2.gz RMSNQLBRBBMWCX-UHFFFAOYSA-N 1 0 399.329 2.351 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)Nc1cccc2c1C[NH2+]CC2 ZINC000367513047 532925733 /nfs/dbraw/zinc/92/57/33/532925733.db2.gz IQTSBUCIOISIFO-UHFFFAOYSA-N 1 0 388.265 2.463 20 0 GEADRO O=C(CNC(=O)C[NH+]1CCC2(CC2)CC1)Nc1ccccc1Br ZINC000368424220 532932081 /nfs/dbraw/zinc/93/20/81/532932081.db2.gz HZEXZUDRDJLLLJ-UHFFFAOYSA-N 1 0 380.286 2.380 20 0 GEADRO Cc1nc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000368415548 532932279 /nfs/dbraw/zinc/93/22/79/532932279.db2.gz CDCWNDCBXUHAKR-KBPBESRZSA-N 1 0 383.290 2.215 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C[C@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000293848279 532932342 /nfs/dbraw/zinc/93/23/42/532932342.db2.gz YFQOWMDVKPBCBW-CYBMUJFWSA-N 1 0 388.917 2.434 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000368144751 532930415 /nfs/dbraw/zinc/93/04/15/532930415.db2.gz 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COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000737032623 598981005 /nfs/dbraw/zinc/98/10/05/598981005.db2.gz JBGHRTHHPVYNIL-HNNXBMFYSA-N 1 0 397.435 2.026 20 0 GEADRO CCc1nccn1[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736705546 598985101 /nfs/dbraw/zinc/98/51/01/598985101.db2.gz LCUVLVSOZGYMBA-INIZCTEOSA-N 1 0 397.483 2.350 20 0 GEADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738158830 598999791 /nfs/dbraw/zinc/99/97/91/598999791.db2.gz KFSTWAQZERQHIF-UHFFFAOYSA-N 1 0 395.492 2.105 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736854207 599029566 /nfs/dbraw/zinc/02/95/66/599029566.db2.gz BMXONESOEBXHBC-SFHVURJKSA-N 1 0 392.463 2.270 20 0 GEADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000822204715 599051190 /nfs/dbraw/zinc/05/11/90/599051190.db2.gz YINDMQGZUGBFTR-CQSZACIVSA-N 1 0 397.458 2.021 20 0 GEADRO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000737473622 599073453 /nfs/dbraw/zinc/07/34/53/599073453.db2.gz FBQGSFYQKATMHU-HZPDHXFCSA-N 1 0 397.508 2.346 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000736226972 599078972 /nfs/dbraw/zinc/07/89/72/599078972.db2.gz KBDUUDGDURGZBE-DOTOQJQBSA-N 1 0 386.500 2.357 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000736565333 599080130 /nfs/dbraw/zinc/08/01/30/599080130.db2.gz JTLQDYLNOKEZBD-YOEHRIQHSA-N 1 0 388.541 2.289 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000738384175 599081204 /nfs/dbraw/zinc/08/12/04/599081204.db2.gz CZJJWQHZTGOXIZ-IEBWSBKVSA-N 1 0 397.504 2.397 20 0 GEADRO CC1CCC([NH+]2CCN(CC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000736241457 599081934 /nfs/dbraw/zinc/08/19/34/599081934.db2.gz NWCFOIAKHDWSPY-UHFFFAOYSA-N 1 0 383.500 2.002 20 0 GEADRO OC1CC[NH+](Cc2ccccc2CNc2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000823706829 599084324 /nfs/dbraw/zinc/08/43/24/599084324.db2.gz PQDHJCDCANQGHE-UHFFFAOYSA-N 1 0 399.886 2.484 20 0 GEADRO NC(=O)[C@H]([NH2+]CCCSc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735382 599087762 /nfs/dbraw/zinc/08/77/62/599087762.db2.gz COXKPBKMUKYLJM-MRXNPFEDSA-N 1 0 386.456 2.304 20 0 GEADRO CN(C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000736856059 599090934 /nfs/dbraw/zinc/09/09/34/599090934.db2.gz KRIDTKDUCOHCGS-INIZCTEOSA-N 1 0 393.451 2.220 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC[N@@H+]1C ZINC000736234986 599106485 /nfs/dbraw/zinc/10/64/85/599106485.db2.gz LFTBLAUTJKVDNL-BBRMVZONSA-N 1 0 393.451 2.267 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000737188780 599107407 /nfs/dbraw/zinc/10/74/07/599107407.db2.gz GOMQBYDRHMIKIF-PWSUYJOCSA-N 1 0 387.513 2.074 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)CSc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000736758948 599164641 /nfs/dbraw/zinc/16/46/41/599164641.db2.gz LBBRVYRRQYDEIC-OAHLLOKOSA-N 1 0 376.530 2.441 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N(C)CCOc1ccc(F)cc1 ZINC000735559206 599174421 /nfs/dbraw/zinc/17/44/21/599174421.db2.gz JXQOBVIYXNATGE-ZDUSSCGKSA-N 1 0 384.415 2.344 20 0 GEADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC000738380943 599177768 /nfs/dbraw/zinc/17/77/68/599177768.db2.gz JCCRECYOMJDKMC-HOTGVXAUSA-N 1 0 377.370 2.491 20 0 GEADRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736351478 599181295 /nfs/dbraw/zinc/18/12/95/599181295.db2.gz GLHSPSAFEUHOPP-ZFWWWQNUSA-N 1 0 386.891 2.369 20 0 GEADRO CCCc1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)s1 ZINC000736495903 599188818 /nfs/dbraw/zinc/18/88/18/599188818.db2.gz VBOVQQHRXFROJN-UHFFFAOYSA-N 1 0 399.524 2.480 20 0 GEADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000737065410 599189143 /nfs/dbraw/zinc/18/91/43/599189143.db2.gz FRTNQBHSSWZTDW-UHFFFAOYSA-N 1 0 394.479 2.388 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000736189949 599220533 /nfs/dbraw/zinc/22/05/33/599220533.db2.gz UYEHJHNCHAXRER-NVXWUHKLSA-N 1 0 393.447 2.452 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736290832 599235381 /nfs/dbraw/zinc/23/53/81/599235381.db2.gz CKCWUFVMDROWEF-GXTWGEPZSA-N 1 0 389.891 2.017 20 0 GEADRO CC[N@H+](C)[C@H](C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736509516 599245339 /nfs/dbraw/zinc/24/53/39/599245339.db2.gz FCGUBVLJRCPRLC-SFHVURJKSA-N 1 0 380.452 2.055 20 0 GEADRO Cc1c(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cccc1-c1nn[nH]n1 ZINC000822090349 607289975 /nfs/dbraw/zinc/28/99/75/607289975.db2.gz KJUOGDKWVGIAMN-UHFFFAOYSA-N 1 0 387.488 2.186 20 0 GEADRO CN(C)c1cccc(C[N@H+](C)[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000821590707 607312362 /nfs/dbraw/zinc/31/23/62/607312362.db2.gz BPMCVOAWCLKDLO-IBGZPJMESA-N 1 0 391.479 2.170 20 0 GEADRO Cc1ccc(C[NH+]2CCCC2)cc1NC[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000822237137 607318935 /nfs/dbraw/zinc/31/89/35/607318935.db2.gz HECAIBNRNMJZOA-MRXNPFEDSA-N 1 0 393.499 2.121 20 0 GEADRO CCn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736730895 599288773 /nfs/dbraw/zinc/28/87/73/599288773.db2.gz KEFPBZQVQSDKCY-LRDDRELGSA-N 1 0 380.456 2.077 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821601597 599291611 /nfs/dbraw/zinc/29/16/11/599291611.db2.gz PSGDRKDFEDLVOM-UHFFFAOYSA-N 1 0 383.378 2.445 20 0 GEADRO Fc1ccc(OCC[NH+]2CCC(Nc3ccc(-c4nn[nH]n4)nc3)CC2)cc1 ZINC000822782733 607328972 /nfs/dbraw/zinc/32/89/72/607328972.db2.gz DMTOZRDLNRMHMJ-UHFFFAOYSA-N 1 0 383.431 2.356 20 0 GEADRO Fc1cc(-c2nn[nH]n2)ccc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000737640121 598235147 /nfs/dbraw/zinc/23/51/47/598235147.db2.gz KIDDZLZRUHPIDE-UHFFFAOYSA-N 1 0 381.459 2.236 20 0 GEADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736848276 598239720 /nfs/dbraw/zinc/23/97/20/598239720.db2.gz LFCVAOAPDLDVIX-CQSZACIVSA-N 1 0 396.451 2.062 20 0 GEADRO Fc1cccc(N2CC[NH+](CCCCCn3cccn3)CC2)c1-c1nn[nH]n1 ZINC000737660373 598246730 /nfs/dbraw/zinc/24/67/30/598246730.db2.gz IZYNYTOOBPUFBK-UHFFFAOYSA-N 1 0 384.463 2.195 20 0 GEADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737890782 598246773 /nfs/dbraw/zinc/24/67/73/598246773.db2.gz DHUIOIGJXWXMSA-UHFFFAOYSA-N 1 0 380.427 2.291 20 0 GEADRO CC(=O)Nc1cccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000735489305 598250270 /nfs/dbraw/zinc/25/02/70/598250270.db2.gz ZQMPDXWTDJBYME-UHFFFAOYSA-N 1 0 377.452 2.147 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736994940 598274188 /nfs/dbraw/zinc/27/41/88/598274188.db2.gz NYONYMXOUYLJPF-UHFFFAOYSA-N 1 0 394.479 2.184 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CCCCC1 ZINC000736756476 598317908 /nfs/dbraw/zinc/31/79/08/598317908.db2.gz JIJDHFWXWCELNE-UHFFFAOYSA-N 1 0 375.452 2.070 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736276311 598319043 /nfs/dbraw/zinc/31/90/43/598319043.db2.gz OBCGXAVPPZDREM-UHFFFAOYSA-N 1 0 389.479 2.317 20 0 GEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000737090958 598324253 /nfs/dbraw/zinc/32/42/53/598324253.db2.gz XNKUEENXXFJJSD-UHFFFAOYSA-N 1 0 399.430 2.398 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736771007 598326320 /nfs/dbraw/zinc/32/63/20/598326320.db2.gz GNNXRQOYCIOIDB-UHFFFAOYSA-N 1 0 397.458 2.409 20 0 GEADRO CC(C)C[C@@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000735795165 598334135 /nfs/dbraw/zinc/33/41/35/598334135.db2.gz MBGIWEFEDXUOJV-INIZCTEOSA-N 1 0 397.483 2.099 20 0 GEADRO C[C@H]1CCC[C@@H]([N@H+](C)CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736254570 598334784 /nfs/dbraw/zinc/33/47/84/598334784.db2.gz ZIRDGTSDGTWWBX-WMLDXEAASA-N 1 0 397.483 2.099 20 0 GEADRO c1cnnc(NC2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000738447890 598342320 /nfs/dbraw/zinc/34/23/20/598342320.db2.gz KKZLDWZYFXVPQP-UHFFFAOYSA-N 1 0 380.456 2.002 20 0 GEADRO Cc1nc(CN2CCC[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)oc1C ZINC000737477791 598349516 /nfs/dbraw/zinc/34/95/16/598349516.db2.gz OVNYKMGYBBQGMR-UHFFFAOYSA-N 1 0 385.447 2.319 20 0 GEADRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n1 ZINC000737473656 598357464 /nfs/dbraw/zinc/35/74/64/598357464.db2.gz GAGJRETWNLHUBP-MRXNPFEDSA-N 1 0 391.483 2.240 20 0 GEADRO CC[N@H+](CCNC(=O)NCCSCc1ccccc1-c1nn[nH]n1)C(C)C ZINC000736536221 598362021 /nfs/dbraw/zinc/36/20/21/598362021.db2.gz FPRIOWMLQMFSSI-UHFFFAOYSA-N 1 0 391.545 2.129 20 0 GEADRO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736286816 598366018 /nfs/dbraw/zinc/36/60/18/598366018.db2.gz NTQRHXJPGMKHTM-OXJNMPFZSA-N 1 0 378.480 2.106 20 0 GEADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736828679 598366852 /nfs/dbraw/zinc/36/68/52/598366852.db2.gz QLXKYWFTNWYXPF-INIZCTEOSA-N 1 0 394.483 2.224 20 0 GEADRO c1ncn(-c2ccccc2C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)n1 ZINC000738421643 598370089 /nfs/dbraw/zinc/37/00/89/598370089.db2.gz DNALQDOKECPJNI-UHFFFAOYSA-N 1 0 392.492 2.470 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000735559891 598373986 /nfs/dbraw/zinc/37/39/86/598373986.db2.gz ASJSEQOEFURHJL-ZDUSSCGKSA-N 1 0 378.436 2.000 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000737072074 598375660 /nfs/dbraw/zinc/37/56/60/598375660.db2.gz IVRBUINRAFNPNH-IUODEOHRSA-N 1 0 387.415 2.105 20 0 GEADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000737893608 598416106 /nfs/dbraw/zinc/41/61/06/598416106.db2.gz AMZOCOZSYVFAAJ-UHFFFAOYSA-N 1 0 391.479 2.059 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000738400979 598418914 /nfs/dbraw/zinc/41/89/14/598418914.db2.gz MRQQFDOYXNRJHU-GFCCVEGCSA-N 1 0 377.905 2.387 20 0 GEADRO O=C(COc1cccc(-c2nn[nH]n2)c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000737919793 598421723 /nfs/dbraw/zinc/42/17/23/598421723.db2.gz KBGDSGWKKCGLGI-QGZVFWFLSA-N 1 0 390.447 2.257 20 0 GEADRO C[NH+](C)CCCOc1ccc(NC(=O)COc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736766612 598424163 /nfs/dbraw/zinc/42/41/63/598424163.db2.gz DYDWYEMSQCZJOA-UHFFFAOYSA-N 1 0 396.451 2.215 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000737291767 598431921 /nfs/dbraw/zinc/43/19/21/598431921.db2.gz PFLWXDRMCUKDFE-UHFFFAOYSA-N 1 0 380.456 2.166 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)c1cccc(OC)c1 ZINC000736534509 598440825 /nfs/dbraw/zinc/44/08/25/598440825.db2.gz PURGPLYXTJPERU-SFHVURJKSA-N 1 0 395.467 2.083 20 0 GEADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737372042 598441280 /nfs/dbraw/zinc/44/12/80/598441280.db2.gz VFBGTNARHQVULZ-MAUKXSAKSA-N 1 0 375.436 2.018 20 0 GEADRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)CCCO1 ZINC000736284727 598462882 /nfs/dbraw/zinc/46/28/82/598462882.db2.gz DXRGHMFMUNPKSV-GFCCVEGCSA-N 1 0 390.513 2.246 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736247450 598465872 /nfs/dbraw/zinc/46/58/72/598465872.db2.gz DEDFBYKDKLQCKU-JTDSTZFVSA-N 1 0 397.527 2.215 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000737064796 598484161 /nfs/dbraw/zinc/48/41/61/598484161.db2.gz ZOYSWJHWONFWNN-HNNXBMFYSA-N 1 0 385.472 2.358 20 0 GEADRO C[C@@]1([NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCCc2ccccc21 ZINC000736222489 598486625 /nfs/dbraw/zinc/48/66/25/598486625.db2.gz HSPRZBMSQPZLCU-LAUBAEHRSA-N 1 0 379.464 2.448 20 0 GEADRO C[C@H](CNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1)[N@H+](C)C1CC1 ZINC000736026025 598502308 /nfs/dbraw/zinc/50/23/08/598502308.db2.gz LXZKODCUYVYZKB-CYBMUJFWSA-N 1 0 396.451 2.251 20 0 GEADRO CC(C)[NH2+]C1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735892723 598505205 /nfs/dbraw/zinc/50/52/05/598505205.db2.gz MEJXBQBUMSABAP-UHFFFAOYSA-N 1 0 391.907 2.311 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCC13CC4CC(CC(C4)C1)C3)C2 ZINC000738450761 598519631 /nfs/dbraw/zinc/51/96/31/598519631.db2.gz WZVGHWJDZBVUJA-OCABNYQQSA-N 1 0 382.516 2.301 20 0 GEADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735915171 598522310 /nfs/dbraw/zinc/52/23/10/598522310.db2.gz ZKJJMRCAAFXAJC-KBPBESRZSA-N 1 0 382.472 2.243 20 0 GEADRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735914043 598522370 /nfs/dbraw/zinc/52/23/70/598522370.db2.gz HALFRNZOKRZJJG-KBPBESRZSA-N 1 0 382.472 2.243 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)c(Cl)c1 ZINC000736132824 598525595 /nfs/dbraw/zinc/52/55/95/598525595.db2.gz DKYCCNLIOFGXMV-UWVGGRQHSA-N 1 0 376.827 2.248 20 0 GEADRO CC(C)(C)Oc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735640128 598525857 /nfs/dbraw/zinc/52/58/57/598525857.db2.gz YKLCRRVYXHTQPJ-CQSZACIVSA-N 1 0 382.472 2.072 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)C2 ZINC000738428647 598526679 /nfs/dbraw/zinc/52/66/79/598526679.db2.gz QASORSGTNRQDEL-UWWQBHOKSA-N 1 0 378.484 2.421 20 0 GEADRO CC(C)CCOc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735820852 598529274 /nfs/dbraw/zinc/52/92/74/598529274.db2.gz YBRLMYPWLSNGCZ-HNNXBMFYSA-N 1 0 396.499 2.320 20 0 GEADRO Fc1ccc(C2([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)cc1 ZINC000737647087 598529596 /nfs/dbraw/zinc/52/95/96/598529596.db2.gz BCVOUICHCHDPAW-ZDUSSCGKSA-N 1 0 382.447 2.303 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)[NH+]1CCCC1 ZINC000736026282 598555424 /nfs/dbraw/zinc/55/54/24/598555424.db2.gz QBYCTMFOGIDQHO-AWEZNQCLSA-N 1 0 396.451 2.253 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736569377 598555745 /nfs/dbraw/zinc/55/57/45/598555745.db2.gz HGHVXFCXUGZASA-OAHLLOKOSA-N 1 0 396.451 2.253 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000738066577 598561182 /nfs/dbraw/zinc/56/11/82/598561182.db2.gz QRPZEVKPQHQHLM-UHFFFAOYSA-N 1 0 395.414 2.466 20 0 GEADRO C[NH+](C)C1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000736756042 598562323 /nfs/dbraw/zinc/56/23/23/598562323.db2.gz HGRZBBPZUYWNHR-UHFFFAOYSA-N 1 0 381.387 2.026 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000736179303 598569050 /nfs/dbraw/zinc/56/90/50/598569050.db2.gz CJIFCTKIOVGMLF-HOCLYGCPSA-N 1 0 392.463 2.154 20 0 GEADRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735875577 598576837 /nfs/dbraw/zinc/57/68/37/598576837.db2.gz PCXKUNRSXPWXDB-IBGZPJMESA-N 1 0 397.527 2.167 20 0 GEADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000737919649 598623815 /nfs/dbraw/zinc/62/38/15/598623815.db2.gz PDHGEHVGUABELS-UHFFFAOYSA-N 1 0 392.463 2.158 20 0 GEADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000738167756 598630060 /nfs/dbraw/zinc/63/00/60/598630060.db2.gz UEKZUQFJZHQFSZ-UHFFFAOYSA-N 1 0 396.430 2.187 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000736759284 598664380 /nfs/dbraw/zinc/66/43/80/598664380.db2.gz LSSQLGDUBUDGPM-HNNXBMFYSA-N 1 0 388.522 2.439 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000736171631 598669089 /nfs/dbraw/zinc/66/90/89/598669089.db2.gz XMZZVBRPSZDCRQ-MRXNPFEDSA-N 1 0 386.500 2.406 20 0 GEADRO CCC[NH+]1CCC(NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736480321 598680978 /nfs/dbraw/zinc/68/09/78/598680978.db2.gz MTKXMZSHLMTLGN-UHFFFAOYSA-N 1 0 386.500 2.406 20 0 GEADRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000738198474 598683444 /nfs/dbraw/zinc/68/34/44/598683444.db2.gz UERHPKASMPFSQO-CQSZACIVSA-N 1 0 381.415 2.252 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000738075874 598684013 /nfs/dbraw/zinc/68/40/13/598684013.db2.gz SFQWNONLJDPGMI-UHFFFAOYSA-N 1 0 393.451 2.270 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000737833129 598687071 /nfs/dbraw/zinc/68/70/71/598687071.db2.gz PFMSYEKQTUUWEJ-QGZVFWFLSA-N 1 0 384.484 2.113 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000735889316 598699873 /nfs/dbraw/zinc/69/98/73/598699873.db2.gz YNRMWNWDOQFGRV-YJBOKZPZSA-N 1 0 386.500 2.259 20 0 GEADRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736020000 598704414 /nfs/dbraw/zinc/70/44/14/598704414.db2.gz JHBOMMCPLHVKQQ-ZDUSSCGKSA-N 1 0 376.461 2.091 20 0 GEADRO O=C1CCCN1C[C@H]1CCCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000738302366 598707663 /nfs/dbraw/zinc/70/76/63/598707663.db2.gz LABXIHYFZVFHHS-QGZVFWFLSA-N 1 0 384.484 2.113 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736402561 598710598 /nfs/dbraw/zinc/71/05/98/598710598.db2.gz NYCHPJJBKJDWFR-CQSZACIVSA-N 1 0 392.529 2.046 20 0 GEADRO c1ccc(NC[C@H]2CC[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000738436478 598763104 /nfs/dbraw/zinc/76/31/04/598763104.db2.gz RAZSUGGFRKMGAC-MRXNPFEDSA-N 1 0 379.468 2.465 20 0 GEADRO C[C@H]1c2ccccc2OCC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736305025 598763370 /nfs/dbraw/zinc/76/33/70/598763370.db2.gz SAQNSHHFALFWMT-GOEBONIOSA-N 1 0 381.436 2.062 20 0 GEADRO COCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000737005772 598771737 /nfs/dbraw/zinc/77/17/37/598771737.db2.gz BXYAHKCQQJXTII-UHFFFAOYSA-N 1 0 389.410 2.216 20 0 GEADRO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ncccc1-c1nn[nH]n1 ZINC000736791892 598787606 /nfs/dbraw/zinc/78/76/06/598787606.db2.gz OWJSQSBNQKVDMK-IBGZPJMESA-N 1 0 393.495 2.144 20 0 GEADRO C[NH+](C)CCCCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736758599 598812251 /nfs/dbraw/zinc/81/22/51/598812251.db2.gz GYIQONZNWPFEEN-UHFFFAOYSA-N 1 0 381.440 2.126 20 0 GEADRO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)o1 ZINC000736702449 599292629 /nfs/dbraw/zinc/29/26/29/599292629.db2.gz PIOLSBBFMQMTLL-MRXNPFEDSA-N 1 0 395.467 2.040 20 0 GEADRO CCOc1cc(C)nc(N2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000736626309 599316079 /nfs/dbraw/zinc/31/60/79/599316079.db2.gz RBROHIURRWVPFT-OAHLLOKOSA-N 1 0 394.483 2.247 20 0 GEADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000736196643 599316126 /nfs/dbraw/zinc/31/61/26/599316126.db2.gz LEALGAKSCLTCPG-UZLBHIALSA-N 1 0 378.480 2.279 20 0 GEADRO CC[C@@]1(C)CCC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820950128 599329096 /nfs/dbraw/zinc/32/90/96/599329096.db2.gz JYPHEWYDEUNFPI-FQEVSTJZSA-N 1 0 397.483 2.101 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC(OCC2CC2)CC1 ZINC000822505293 599329528 /nfs/dbraw/zinc/32/95/28/599329528.db2.gz HCBBJXBQAIEIMH-UHFFFAOYSA-N 1 0 394.483 2.282 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C[C@H]1C ZINC000821255379 599344498 /nfs/dbraw/zinc/34/44/98/599344498.db2.gz ZGPZKCXYKVHSHW-DGCLKSJQSA-N 1 0 398.920 2.013 20 0 GEADRO O=C(CC[N@@H+](CCCCO)C1CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737838910 599355692 /nfs/dbraw/zinc/35/56/92/599355692.db2.gz OXVAPPRQFAHSQB-UHFFFAOYSA-N 1 0 378.864 2.086 20 0 GEADRO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420562 599379354 /nfs/dbraw/zinc/37/93/54/599379354.db2.gz SYQLZHNFCIMGFX-CQSZACIVSA-N 1 0 378.436 2.333 20 0 GEADRO COc1ccc([C@@H](C)CC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821777809 599381562 /nfs/dbraw/zinc/38/15/62/599381562.db2.gz MQLIREXBZNIIER-UGSOOPFHSA-N 1 0 380.452 2.185 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414565 599388682 /nfs/dbraw/zinc/38/86/82/599388682.db2.gz ZFUBPYAYVPLBAA-OLZOCXBDSA-N 1 0 385.472 2.064 20 0 GEADRO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821868102 599389278 /nfs/dbraw/zinc/38/92/78/599389278.db2.gz OEHCVCVYVFYOEK-ZIAGYGMSSA-N 1 0 380.452 2.231 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1cccc(-c2nn[nH]n2)c1 ZINC000820413475 599389468 /nfs/dbraw/zinc/38/94/68/599389468.db2.gz QPJZDRDYVWEXGQ-NEPJUHHUSA-N 1 0 380.408 2.273 20 0 GEADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1-c1nn[nH]n1 ZINC000821804014 599396140 /nfs/dbraw/zinc/39/61/40/599396140.db2.gz IGHZYSIOYNIGNC-LBPRGKRZSA-N 1 0 387.465 2.130 20 0 GEADRO Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000822309345 599402859 /nfs/dbraw/zinc/40/28/59/599402859.db2.gz VHRQIJPGNNFSMZ-UHFFFAOYSA-N 1 0 395.511 2.460 20 0 GEADRO c1cc(-c2nnn[n-]2)oc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000823788256 599410265 /nfs/dbraw/zinc/41/02/65/599410265.db2.gz WETSGYGLZLNQFN-UHFFFAOYSA-N 1 0 381.484 2.152 20 0 GEADRO COCc1nc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000821695743 599419261 /nfs/dbraw/zinc/41/92/61/599419261.db2.gz GTSOHCIIQQRRPH-UHFFFAOYSA-N 1 0 385.497 2.228 20 0 GEADRO COc1ccc(C[NH2+]CCOc2cccc(NC(C)=O)c2)cc1-c1nn[nH]n1 ZINC000821813922 599429002 /nfs/dbraw/zinc/42/90/02/599429002.db2.gz PCGNDWJUDLVARM-UHFFFAOYSA-N 1 0 382.424 2.002 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000821804077 599439484 /nfs/dbraw/zinc/43/94/84/599439484.db2.gz JXXLHPQJZMNLRT-QGZVFWFLSA-N 1 0 378.436 2.161 20 0 GEADRO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000821574700 599441687 /nfs/dbraw/zinc/44/16/87/599441687.db2.gz SPOCEWZYEZBALZ-UHFFFAOYSA-N 1 0 389.419 2.421 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820979953 599442938 /nfs/dbraw/zinc/44/29/38/599442938.db2.gz KGBODELKIHWXDS-OAHLLOKOSA-N 1 0 375.452 2.070 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC000821584731 599443357 /nfs/dbraw/zinc/44/33/57/599443357.db2.gz QNGNOASHPUAYJU-HNNXBMFYSA-N 1 0 377.468 2.171 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1-c1nn[nH]n1 ZINC000821809855 599448159 /nfs/dbraw/zinc/44/81/59/599448159.db2.gz SVEZZBBDYVMGIU-QGZVFWFLSA-N 1 0 378.436 2.079 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1 ZINC000821579676 599463593 /nfs/dbraw/zinc/46/35/93/599463593.db2.gz KKSATWPKJPSNRF-KRWDZBQOSA-N 1 0 383.431 2.108 20 0 GEADRO C[NH+]1CCN(c2ccc(CNc3c(Cl)cccc3-c3nn[nH]n3)cn2)CC1 ZINC000821628462 599467200 /nfs/dbraw/zinc/46/72/00/599467200.db2.gz JGYWCWFLZHXGBC-UHFFFAOYSA-N 1 0 384.875 2.279 20 0 GEADRO c1coc([C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N2CCCC2)c1 ZINC000738447925 599484491 /nfs/dbraw/zinc/48/44/91/599484491.db2.gz LPNPMOHHMKYJJF-INIZCTEOSA-N 1 0 378.440 2.034 20 0 GEADRO CCN(CC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1C ZINC000736536103 599485195 /nfs/dbraw/zinc/48/51/95/599485195.db2.gz CFFVRZMWAXQIBT-UHFFFAOYSA-N 1 0 376.468 2.439 20 0 GEADRO c1cnn(Cc2cccc(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)c2)c1 ZINC000738412186 599487200 /nfs/dbraw/zinc/48/72/00/599487200.db2.gz BTHZLXLXEMOLTC-UHFFFAOYSA-N 1 0 385.435 2.049 20 0 GEADRO COc1ccccc1OCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737151545 599489205 /nfs/dbraw/zinc/48/92/05/599489205.db2.gz GPEPSQHBUJLURO-UHFFFAOYSA-N 1 0 379.424 2.082 20 0 GEADRO C[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)N(C)Cc1ccccc1 ZINC000736026071 599489620 /nfs/dbraw/zinc/48/96/20/599489620.db2.gz PEXFWDKFTDZKET-HNNXBMFYSA-N 1 0 376.468 2.125 20 0 GEADRO C[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)N(C)Cc1ccccc1 ZINC000736026074 599489703 /nfs/dbraw/zinc/48/97/03/599489703.db2.gz PEXFWDKFTDZKET-OAHLLOKOSA-N 1 0 376.468 2.125 20 0 GEADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735628488 599489838 /nfs/dbraw/zinc/48/98/38/599489838.db2.gz VGVWZXJIMBQAEU-CQSZACIVSA-N 1 0 398.471 2.004 20 0 GEADRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735628485 599490074 /nfs/dbraw/zinc/49/00/74/599490074.db2.gz VGVWZXJIMBQAEU-AWEZNQCLSA-N 1 0 398.471 2.004 20 0 GEADRO CN(C)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1c(F)cccc1F ZINC000736758394 599490431 /nfs/dbraw/zinc/49/04/31/599490431.db2.gz GVXHTNJHYGZVIT-INIZCTEOSA-N 1 0 398.421 2.185 20 0 GEADRO Fc1cccc(N2CCC[C@H]([NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)c1 ZINC000737662280 599490961 /nfs/dbraw/zinc/49/09/61/599490961.db2.gz SWDMMZZQGYPNBV-INIZCTEOSA-N 1 0 392.442 2.412 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000738432201 599491452 /nfs/dbraw/zinc/49/14/52/599491452.db2.gz DSUKSKKZEQBCLW-GOSISDBHSA-N 1 0 388.479 2.269 20 0 GEADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000823792620 599507040 /nfs/dbraw/zinc/50/70/40/599507040.db2.gz ZUCBWWCXWXWPBH-UHFFFAOYSA-N 1 0 393.495 2.354 20 0 GEADRO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000821378633 599533634 /nfs/dbraw/zinc/53/36/34/599533634.db2.gz QPTNKDCFVDOEQQ-GFCCVEGCSA-N 1 0 384.406 2.433 20 0 GEADRO C[C@H](CNc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)C[NH+]1CCOCC1 ZINC000736027028 599534651 /nfs/dbraw/zinc/53/46/51/599534651.db2.gz VKIAUAOZQYVCLN-LLVKDONJSA-N 1 0 389.410 2.073 20 0 GEADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735749506 599539372 /nfs/dbraw/zinc/53/93/72/599539372.db2.gz MZJHKIATZAMCJG-CQSZACIVSA-N 1 0 379.921 2.489 20 0 GEADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC[C@H]3C[NH+]3CCCCC3)o2)c1 ZINC000823738166 599572972 /nfs/dbraw/zinc/57/29/72/599572972.db2.gz OTIGSSIAQDQTMU-KRWDZBQOSA-N 1 0 394.483 2.367 20 0 GEADRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736302927 599591312 /nfs/dbraw/zinc/59/13/12/599591312.db2.gz IPZNXNGVMRBJJL-CXAGYDPISA-N 1 0 383.427 2.365 20 0 GEADRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000822997597 599640870 /nfs/dbraw/zinc/64/08/70/599640870.db2.gz SVXHYDWUWJCOGO-RHSMWYFYSA-N 1 0 392.467 2.255 20 0 GEADRO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821890696 599643280 /nfs/dbraw/zinc/64/32/80/599643280.db2.gz OBZKOFUALRAYHQ-CQSZACIVSA-N 1 0 380.452 2.377 20 0 GEADRO CC[C@](C)([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1nc(C)cs1 ZINC000820854089 599645342 /nfs/dbraw/zinc/64/53/42/599645342.db2.gz RIWFSSQSMNVJSI-KSSFIOAISA-N 1 0 388.497 2.286 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccncc1Cl ZINC000821586429 599649541 /nfs/dbraw/zinc/64/95/41/599649541.db2.gz XRDICTMVVPZTJM-UHFFFAOYSA-N 1 0 385.859 2.119 20 0 GEADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)C1 ZINC000820722862 599654851 /nfs/dbraw/zinc/65/48/51/599654851.db2.gz QFTVFUOYIOOVQJ-CQSZACIVSA-N 1 0 393.451 2.235 20 0 GEADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821604967 599683890 /nfs/dbraw/zinc/68/38/90/599683890.db2.gz PCXYOAJDUOSNSW-AWEZNQCLSA-N 1 0 388.472 2.187 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000820542212 599692310 /nfs/dbraw/zinc/69/23/10/599692310.db2.gz MFJGQEZZOBUSJC-HNNXBMFYSA-N 1 0 384.484 2.111 20 0 GEADRO CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000737086232 599761224 /nfs/dbraw/zinc/76/12/24/599761224.db2.gz IANJFLKXZPWYJF-INIZCTEOSA-N 1 0 375.513 2.443 20 0 GEADRO Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C3CC3)CC2)cc1 ZINC000738598005 599948177 /nfs/dbraw/zinc/94/81/77/599948177.db2.gz NAGUGAIHMBIIKA-GOSISDBHSA-N 1 0 387.524 2.214 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000824288427 607426508 /nfs/dbraw/zinc/42/65/08/607426508.db2.gz FVCKVAANNZGNBX-UHFFFAOYSA-N 1 0 398.467 2.451 20 0 GEADRO O=C([O-])[C@H]1CC12CC[NH+](CC(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000739277857 600288545 /nfs/dbraw/zinc/28/85/45/600288545.db2.gz JLCYYNJQRXUAEH-LJQANCHMSA-N 1 0 385.508 2.085 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](C(=O)[O-])c3ccccc3)c2)C1 ZINC000738436174 600435962 /nfs/dbraw/zinc/43/59/62/600435962.db2.gz FXCTWBUYNYTQQH-UXHICEINSA-N 1 0 381.476 2.299 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000825850659 607446819 /nfs/dbraw/zinc/44/68/19/607446819.db2.gz QCMNCYSKJIUYTH-GOSISDBHSA-N 1 0 391.479 2.458 20 0 GEADRO O=C(C[NH2+]C1(C(=O)[O-])CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000583908469 600558205 /nfs/dbraw/zinc/55/82/05/600558205.db2.gz HPAQZLAKHIEWRJ-UHFFFAOYSA-N 1 0 377.510 2.161 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826176037 607476975 /nfs/dbraw/zinc/47/69/75/607476975.db2.gz YIIJNSJTYUVCAS-WMZOPIPTSA-N 1 0 398.511 2.203 20 0 GEADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825232916 607489967 /nfs/dbraw/zinc/48/99/67/607489967.db2.gz LHVULOUKMXHKNF-HOCLYGCPSA-N 1 0 386.500 2.392 20 0 GEADRO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826194352 607492546 /nfs/dbraw/zinc/49/25/46/607492546.db2.gz JZWYAIBTJVZNQJ-CQSZACIVSA-N 1 0 388.472 2.222 20 0 GEADRO c1ccc(-c2noc(C3CC[NH+](Cc4ccnc(-c5nn[nH]n5)c4)CC3)n2)nc1 ZINC000826519975 607493303 /nfs/dbraw/zinc/49/33/03/607493303.db2.gz WLAMXNYTJZTBCF-UHFFFAOYSA-N 1 0 389.423 2.086 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823246267 607497162 /nfs/dbraw/zinc/49/71/62/607497162.db2.gz JACDMZPZUJDVDC-AEFFLSMTSA-N 1 0 381.484 2.025 20 0 GEADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823232975 607499165 /nfs/dbraw/zinc/49/91/65/607499165.db2.gz CEMDTFZJPARYCK-KDOFPFPSSA-N 1 0 399.474 2.164 20 0 GEADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823066458 607503312 /nfs/dbraw/zinc/50/33/12/607503312.db2.gz ZSQITPSCZAFLRW-MAUKXSAKSA-N 1 0 398.536 2.434 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000830596457 601382508 /nfs/dbraw/zinc/38/25/08/601382508.db2.gz NMXYCZXJQBSRPX-SFHVURJKSA-N 1 0 393.503 2.367 20 0 GEADRO COc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1-c1nn[nH]n1 ZINC000826194324 607517382 /nfs/dbraw/zinc/51/73/82/607517382.db2.gz JBINQVPSCURCFO-UHFFFAOYSA-N 1 0 388.472 2.364 20 0 GEADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000824505481 607523157 /nfs/dbraw/zinc/52/31/57/607523157.db2.gz DXTLKHAHDYZGGL-DZGCQCFKSA-N 1 0 387.488 2.387 20 0 GEADRO CC(C)(CO)[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000824163131 607570323 /nfs/dbraw/zinc/57/03/23/607570323.db2.gz YYGYFGVLNTUJLX-GOSISDBHSA-N 1 0 391.479 2.406 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)[N@@H+]1CCCC[C@H]1C ZINC000824939935 607586924 /nfs/dbraw/zinc/58/69/24/607586924.db2.gz YETNHQQSUCUXJK-VXGBXAGGSA-N 1 0 398.920 2.061 20 0 GEADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000824094413 607593335 /nfs/dbraw/zinc/59/33/35/607593335.db2.gz UUUHDGXRHIQELL-UHFFFAOYSA-N 1 0 398.920 2.061 20 0 GEADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000825327289 607597616 /nfs/dbraw/zinc/59/76/16/607597616.db2.gz IMRJXYXUUFCXDL-UHFFFAOYSA-N 1 0 398.920 2.015 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000825194061 607614538 /nfs/dbraw/zinc/61/45/38/607614538.db2.gz OUQALZZZURHMRJ-CYBMUJFWSA-N 1 0 398.920 2.063 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000826182242 607639380 /nfs/dbraw/zinc/63/93/80/607639380.db2.gz FEAANGDBHCEENR-SFHVURJKSA-N 1 0 387.484 2.425 20 0 GEADRO C[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1cc2c(cc1Br)OCCO2 ZINC000444149502 649937947 /nfs/dbraw/zinc/93/79/47/649937947.db2.gz AQLRBMBBRGJGSS-ZMNCSTGQSA-N 1 0 381.270 2.397 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407423 607647177 /nfs/dbraw/zinc/64/71/77/607647177.db2.gz MOSQIZIPCGVNJY-OLZOCXBDSA-N 1 0 376.486 2.005 20 0 GEADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000826244107 607666335 /nfs/dbraw/zinc/66/63/35/607666335.db2.gz HITXGURKMZSGAT-UHFFFAOYSA-N 1 0 378.480 2.422 20 0 GEADRO CN(CC(=O)NCc1ccc2c(c1)C[NH2+]C2)C(=O)c1ccc(Br)o1 ZINC000444261203 649943951 /nfs/dbraw/zinc/94/39/51/649943951.db2.gz QGJOMEMEBPEJPN-UHFFFAOYSA-N 1 0 392.253 2.034 20 0 GEADRO COC(=O)[C@@H]1CC12CC[NH+]([C@H](C)CC[NH+]1CCC3(C[C@@H]3C(=O)[O-])CC1)CC2 ZINC000831098899 604437041 /nfs/dbraw/zinc/43/70/41/604437041.db2.gz AQGRQHSNQAAYAE-ZACQAIPSSA-N 1 0 378.513 2.227 20 0 GEADRO Cc1nc(Cl)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826326330 607700184 /nfs/dbraw/zinc/70/01/84/607700184.db2.gz KTYPNGHCJUDOFE-UHFFFAOYSA-N 1 0 399.886 2.428 20 0 GEADRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000824072057 607700767 /nfs/dbraw/zinc/70/07/67/607700767.db2.gz RXEFKAOYZXDELB-GOSISDBHSA-N 1 0 393.495 2.398 20 0 GEADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826434945 607728890 /nfs/dbraw/zinc/72/88/90/607728890.db2.gz BYHFCHFOKUEHES-UHFFFAOYSA-N 1 0 399.886 2.490 20 0 GEADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)cc2)CC1 ZINC000825860354 607741136 /nfs/dbraw/zinc/74/11/36/607741136.db2.gz QICXWPAAWRTUAD-UHFFFAOYSA-N 1 0 394.483 2.225 20 0 GEADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826471356 607754934 /nfs/dbraw/zinc/75/49/34/607754934.db2.gz WFPBGSPRAUTPOC-QFBILLFUSA-N 1 0 391.479 2.322 20 0 GEADRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[nH]n2)c1 ZINC000825327990 607758784 /nfs/dbraw/zinc/75/87/84/607758784.db2.gz NAWBELUIKKEUQU-OAHLLOKOSA-N 1 0 387.444 2.248 20 0 GEADRO CCOC(=O)Nc1ccc(NC(=O)[C@H](CC)[NH+](CC)CC)cc1-c1nn[nH]n1 ZINC000825532638 607759446 /nfs/dbraw/zinc/75/94/46/607759446.db2.gz VYRMLSSEYHZPFM-HNNXBMFYSA-N 1 0 389.460 2.494 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCC(NC(=O)[O-])CC3)c2)C1 ZINC000833981138 605609286 /nfs/dbraw/zinc/60/92/86/605609286.db2.gz OGKLBTJCYQMJLB-VIQWUECVSA-N 1 0 388.512 2.052 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCC(NC(=O)[O-])CC3)c2)C1 ZINC000833981134 605609454 /nfs/dbraw/zinc/60/94/54/605609454.db2.gz OGKLBTJCYQMJLB-LMDPOFIKSA-N 1 0 388.512 2.052 20 0 GEADRO O=C([O-])N1CCN(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000834113475 605691668 /nfs/dbraw/zinc/69/16/68/605691668.db2.gz WZGWDSKEUWJLTG-WKCHPHFGSA-N 1 0 386.540 2.457 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000821702539 606069752 /nfs/dbraw/zinc/06/97/52/606069752.db2.gz WVZQWCIIVWXQLI-JLTOFOAXSA-N 1 0 389.500 2.421 20 0 GEADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)cc1O ZINC000821794375 606077292 /nfs/dbraw/zinc/07/72/92/606077292.db2.gz FQZUZXFOHGVTEF-UHFFFAOYSA-N 1 0 382.424 2.042 20 0 GEADRO C[C@@](CO)([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCCCC1 ZINC000820281794 606084524 /nfs/dbraw/zinc/08/45/24/606084524.db2.gz XXGBSYCJKBMJIJ-SFHVURJKSA-N 1 0 392.891 2.380 20 0 GEADRO C[C@@H](CCNC(=O)COc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000820242163 606102990 /nfs/dbraw/zinc/10/29/90/606102990.db2.gz LJIYYERQARPJEL-INIZCTEOSA-N 1 0 394.479 2.272 20 0 GEADRO CC[C@@H](C(=O)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+](CC)CC ZINC000820842293 606112619 /nfs/dbraw/zinc/11/26/19/606112619.db2.gz LVPRMJQZKADVNO-KRWDZBQOSA-N 1 0 385.516 2.072 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614661 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O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000823372468 606965507 /nfs/dbraw/zinc/96/55/07/606965507.db2.gz FSIACXVPIUVGQQ-AWEZNQCLSA-N 1 0 381.415 2.252 20 0 GEADRO CC[C@]1(C)CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000820950999 606980702 /nfs/dbraw/zinc/98/07/02/606980702.db2.gz ULGABQHGCDVJLE-LJQANCHMSA-N 1 0 380.456 2.113 20 0 GEADRO Cn1cc(Br)cc1C[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821603866 606985153 /nfs/dbraw/zinc/98/51/53/606985153.db2.gz RWRBWEZFNBOMEF-UHFFFAOYSA-N 1 0 391.273 2.479 20 0 GEADRO O=C(CCN1CC[NH+](C2CCCCC2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822969587 606991238 /nfs/dbraw/zinc/99/12/38/606991238.db2.gz RVZCLTVSNPFEOT-UHFFFAOYSA-N 1 0 383.500 2.146 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@@H]21 ZINC000821625374 607002665 /nfs/dbraw/zinc/00/26/65/607002665.db2.gz MCNWXGNPDBJPLA-MJGOQNOKSA-N 1 0 378.484 2.104 20 0 GEADRO Cc1nc(CC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c(C)s1 ZINC000822436258 607011440 /nfs/dbraw/zinc/01/14/40/607011440.db2.gz KCYBRNJDZRVORA-UHFFFAOYSA-N 1 0 399.524 2.073 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821637864 607014336 /nfs/dbraw/zinc/01/43/36/607014336.db2.gz WUCIEIGCDLNIJL-QWHCGFSZSA-N 1 0 386.481 2.187 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820699001 607022973 /nfs/dbraw/zinc/02/29/73/607022973.db2.gz XMLSGMODAVOWRW-GASCZTMLSA-N 1 0 386.500 2.403 20 0 GEADRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000821786143 607046913 /nfs/dbraw/zinc/04/69/13/607046913.db2.gz AMHDBDPKKYPZIY-OAHLLOKOSA-N 1 0 393.495 2.460 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000820033241 607070961 /nfs/dbraw/zinc/07/09/61/607070961.db2.gz SSWSDKNEDDQOCV-WDYCEAGBSA-N 1 0 398.511 2.213 20 0 GEADRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000821572292 607072251 /nfs/dbraw/zinc/07/22/51/607072251.db2.gz YUOXURNTPSQYMB-AWEZNQCLSA-N 1 0 376.436 2.447 20 0 GEADRO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1nnc(-c3cccc(-c4nn[nH]n4)c3)o1)CC2 ZINC000823698728 607075630 /nfs/dbraw/zinc/07/56/30/607075630.db2.gz QUQZIDBYPMTHAD-DNVCBOLYSA-N 1 0 381.440 2.044 20 0 GEADRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820957287 607106443 /nfs/dbraw/zinc/10/64/43/607106443.db2.gz MUKUGCZIRZAENF-BPQIPLTHSA-N 1 0 389.500 2.132 20 0 GEADRO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822997077 607107458 /nfs/dbraw/zinc/10/74/58/607107458.db2.gz MTXIIPODXRBACR-KZULUSFZSA-N 1 0 390.875 2.086 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821623858 607171962 /nfs/dbraw/zinc/17/19/62/607171962.db2.gz UQDIIKHRSXALPU-HKUYNNGSSA-N 1 0 378.484 2.104 20 0 GEADRO C[C@@H](C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1)[NH+]1CCCCCC1 ZINC000819865423 607187343 /nfs/dbraw/zinc/18/73/43/607187343.db2.gz FJJXVQNBAMCQPI-AWEZNQCLSA-N 1 0 394.483 2.138 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821624088 607192936 /nfs/dbraw/zinc/19/29/36/607192936.db2.gz YTVMBMMDCDYHNJ-SJORKVTESA-N 1 0 386.525 2.043 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C[C@H](C)O1 ZINC000820761323 607202459 /nfs/dbraw/zinc/20/24/59/607202459.db2.gz XBMHAKLGKNMFCX-TXEJJXNPSA-N 1 0 393.879 2.141 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)cc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000822723464 607227079 /nfs/dbraw/zinc/22/70/79/607227079.db2.gz FVUWWMXEZZOIBP-CYBMUJFWSA-N 1 0 382.390 2.187 20 0 GEADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823167151 607231454 /nfs/dbraw/zinc/23/14/54/607231454.db2.gz YCRGZAXLSWIFBI-INIZCTEOSA-N 1 0 397.870 2.482 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC000820709391 607233480 /nfs/dbraw/zinc/23/34/80/607233480.db2.gz IKAHMORLZYGRMO-LLVKDONJSA-N 1 0 377.880 2.155 20 0 GEADRO CC[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825119525 607814598 /nfs/dbraw/zinc/81/45/98/607814598.db2.gz DLYXQLKHRRSQKN-HNNXBMFYSA-N 1 0 385.493 2.424 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCc2cc(F)ccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000826485636 607815923 /nfs/dbraw/zinc/81/59/23/607815923.db2.gz YOIXPUJQCPIZCZ-QGZVFWFLSA-N 1 0 387.440 2.057 20 0 GEADRO CC[N@@H+]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@H]1C ZINC000825459823 607834777 /nfs/dbraw/zinc/83/47/77/607834777.db2.gz OCECYFZYNAFTPA-SNVBAGLBSA-N 1 0 381.387 2.026 20 0 GEADRO CC[C@@H]1CN(c2cc(-c3nn[nH]n3)ccc2C(F)(F)F)CC[N@@H+]1C[C@H](C)O ZINC000825213459 607841062 /nfs/dbraw/zinc/84/10/62/607841062.db2.gz YNRWJMVGZBUVHV-WCQYABFASA-N 1 0 384.406 2.167 20 0 GEADRO CCOCC[N@@H+]1CCN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)C[C@@H]1CC ZINC000825599474 607841283 /nfs/dbraw/zinc/84/12/83/607841283.db2.gz MSZVVCNXVRDKQU-KRWDZBQOSA-N 1 0 381.484 2.352 20 0 GEADRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824540393 607842729 /nfs/dbraw/zinc/84/27/29/607842729.db2.gz XHPZMSFHAWERON-LBRJOISOSA-N 1 0 382.468 2.131 20 0 GEADRO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824528694 607843547 /nfs/dbraw/zinc/84/35/47/607843547.db2.gz BLEHWAFDONVJGT-DCGLDWPTSA-N 1 0 378.436 2.348 20 0 GEADRO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824531692 607843631 /nfs/dbraw/zinc/84/36/31/607843631.db2.gz QMTVUCUBLNJAPX-XEZPLFJOSA-N 1 0 378.436 2.348 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000824978512 607913529 /nfs/dbraw/zinc/91/35/29/607913529.db2.gz WHOCDPSUKPJRER-OKILXGFUSA-N 1 0 393.451 2.219 20 0 GEADRO COc1cc(C)nc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826178335 607940599 /nfs/dbraw/zinc/94/05/99/607940599.db2.gz TVKALBPGWZZRCR-UHFFFAOYSA-N 1 0 393.495 2.287 20 0 GEADRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825981468 607957443 /nfs/dbraw/zinc/95/74/43/607957443.db2.gz SOKNNDULDWTLHL-UHFFFAOYSA-N 1 0 393.495 2.305 20 0 GEADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000825972059 607981301 /nfs/dbraw/zinc/98/13/01/607981301.db2.gz UFCZZYMFPHXBIB-MOPGFXCFSA-N 1 0 391.479 2.454 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825459710 607989088 /nfs/dbraw/zinc/98/90/88/607989088.db2.gz MCISPQCMARFVJZ-GFCCVEGCSA-N 1 0 394.321 2.067 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825459711 607989230 /nfs/dbraw/zinc/98/92/30/607989230.db2.gz MCISPQCMARFVJZ-LBPRGKRZSA-N 1 0 394.321 2.067 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000824731199 608007582 /nfs/dbraw/zinc/00/75/82/608007582.db2.gz TTYYBBHFTGJKIB-JVPBZIDWSA-N 1 0 392.463 2.196 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000825492988 608011993 /nfs/dbraw/zinc/01/19/93/608011993.db2.gz JDUKQPAHXNVSFI-STQMWFEESA-N 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O=C(C[NH2+][C@H](CCO)c1ccccc1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826412218 608434118 /nfs/dbraw/zinc/43/41/18/608434118.db2.gz GOPAVVULUXXHPM-MRXNPFEDSA-N 1 0 386.843 2.172 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000825144357 608456176 /nfs/dbraw/zinc/45/61/76/608456176.db2.gz ZBYZAHXZAPCZKJ-QGZVFWFLSA-N 1 0 380.452 2.232 20 0 GEADRO O[C@H](COc1ccccc1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826504827 608463034 /nfs/dbraw/zinc/46/30/34/608463034.db2.gz FSGGXOLDBVBCJX-IBGZPJMESA-N 1 0 377.448 2.396 20 0 GEADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210678 608463276 /nfs/dbraw/zinc/46/32/76/608463276.db2.gz AABHGRKSNLVWIU-GFCCVEGCSA-N 1 0 382.424 2.173 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554295 608466759 /nfs/dbraw/zinc/46/67/59/608466759.db2.gz ODPCHGQCQGZGOG-CQSZACIVSA-N 1 0 398.442 2.194 20 0 GEADRO COc1cc([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2F)ccc1OCCO ZINC000826177741 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C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cccn2)c1 ZINC000824562378 608527137 /nfs/dbraw/zinc/52/71/37/608527137.db2.gz GQAKQSBYOAZIPO-AWEZNQCLSA-N 1 0 388.435 2.342 20 0 GEADRO COc1ccccc1[C@@H](C)NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826219169 608532324 /nfs/dbraw/zinc/53/23/24/608532324.db2.gz UWYLXJNWKHZNAZ-CQSZACIVSA-N 1 0 392.463 2.331 20 0 GEADRO CCOc1ccccc1NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825654220 608532377 /nfs/dbraw/zinc/53/23/77/608532377.db2.gz SDCDVNNBBSRUKP-UHFFFAOYSA-N 1 0 378.436 2.483 20 0 GEADRO Cc1cc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000826262409 608553961 /nfs/dbraw/zinc/55/39/61/608553961.db2.gz NWKPNYFDDHPPQK-ZDUSSCGKSA-N 1 0 389.456 2.439 20 0 GEADRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)C(C)(C)C)cn1 ZINC000826359878 608554556 /nfs/dbraw/zinc/55/45/56/608554556.db2.gz RWNIURXVGRACIH-CQSZACIVSA-N 1 0 388.501 2.367 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(-n2ccnn2)cc1 ZINC000824598328 608559795 /nfs/dbraw/zinc/55/97/95/608559795.db2.gz DTJMHWSLHPEOPW-CQSZACIVSA-N 1 0 376.424 2.177 20 0 GEADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC000826299185 608560575 /nfs/dbraw/zinc/56/05/75/608560575.db2.gz UVPRJNCSBRFABB-ZDUSSCGKSA-N 1 0 383.481 2.482 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825492135 608579532 /nfs/dbraw/zinc/57/95/32/608579532.db2.gz DNUXKSMNLQBENF-KBPBESRZSA-N 1 0 395.410 2.202 20 0 GEADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825491997 608580910 /nfs/dbraw/zinc/58/09/10/608580910.db2.gz BVTZBLZZSCOHJN-CHWSQXEVSA-N 1 0 395.410 2.332 20 0 GEADRO CN(C)c1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000825880223 608603101 /nfs/dbraw/zinc/60/31/01/608603101.db2.gz ZICBNUDRLSWXIE-UHFFFAOYSA-N 1 0 379.468 2.371 20 0 GEADRO Fc1c(C[NH+]2CCC(c3nnc4ccccn43)CC2)cccc1-c1nn[nH]n1 ZINC000826370797 608649331 /nfs/dbraw/zinc/64/93/31/608649331.db2.gz HQVRICSHRPUWKB-UHFFFAOYSA-N 1 0 378.415 2.428 20 0 GEADRO Cc1ccnc(NC[C@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)c1 ZINC000826313722 608664172 /nfs/dbraw/zinc/66/41/72/608664172.db2.gz QZXCGZZKGZFDCG-OAHLLOKOSA-N 1 0 389.467 2.152 20 0 GEADRO CCc1nsc(N2CCC[N@H+](Cc3cc(-c4nn[nH]n4)cs3)CC2)n1 ZINC000825776380 608747474 /nfs/dbraw/zinc/74/74/74/608747474.db2.gz HMEPEODZJKNESC-UHFFFAOYSA-N 1 0 376.515 2.054 20 0 GEADRO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cnccc1-c1nn[nH]n1 ZINC000825909505 608781367 /nfs/dbraw/zinc/78/13/67/608781367.db2.gz ZKSAWYWENXYQBX-FQEVSTJZSA-N 1 0 393.495 2.144 20 0 GEADRO C/C(=C\c1ccccc1)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000823943084 608838424 /nfs/dbraw/zinc/83/84/24/608838424.db2.gz MRWVGNDQPPDJSA-ASNKMWSDSA-N 1 0 376.468 2.271 20 0 GEADRO c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515778 608858955 /nfs/dbraw/zinc/85/89/55/608858955.db2.gz KOFOUUZTBJHTNK-KDURUIRLSA-N 1 0 376.464 2.097 20 0 GEADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)c2)c1 ZINC000826515849 608859671 /nfs/dbraw/zinc/85/96/71/608859671.db2.gz NJNRSZSSHVSQLX-QZTJIDSGSA-N 1 0 376.464 2.097 20 0 GEADRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824531627 609142095 /nfs/dbraw/zinc/14/20/95/609142095.db2.gz PSZAXWGQXSRWGI-FZKQIMNGSA-N 1 0 382.443 2.356 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000446405028 649979576 /nfs/dbraw/zinc/97/95/76/649979576.db2.gz ICLAWCCEWZRQJH-OWCLPIDISA-N 1 0 382.302 2.403 20 0 GEADRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826329562 609169565 /nfs/dbraw/zinc/16/95/65/609169565.db2.gz ILNVACZQXADWCP-FZKQIMNGSA-N 1 0 392.467 2.120 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000826340676 609170856 /nfs/dbraw/zinc/17/08/56/609170856.db2.gz HCNBQUOQVLMVPP-UHFFFAOYSA-N 1 0 383.456 2.021 20 0 GEADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433356 609185270 /nfs/dbraw/zinc/18/52/70/609185270.db2.gz CPVPGYGDCHXKKJ-GOSISDBHSA-N 1 0 398.511 2.205 20 0 GEADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)C1 ZINC000824947527 609196740 /nfs/dbraw/zinc/19/67/40/609196740.db2.gz OIMURVVDWZRIEU-AWEZNQCLSA-N 1 0 379.468 2.357 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000824885058 609215755 /nfs/dbraw/zinc/21/57/55/609215755.db2.gz QZOJAXIELVPFCG-YOEHRIQHSA-N 1 0 379.468 2.320 20 0 GEADRO CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000825376552 609222337 /nfs/dbraw/zinc/22/23/37/609222337.db2.gz JLJDZXIIRDWMKO-WMLDXEAASA-N 1 0 379.468 2.492 20 0 GEADRO O=C(c1ccoc1)N1CCC([NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000826475177 609252591 /nfs/dbraw/zinc/25/25/91/609252591.db2.gz WGXSGEGNXXNBIZ-UHFFFAOYSA-N 1 0 378.436 2.343 20 0 GEADRO Cc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1C(N)=O ZINC000826291543 609278632 /nfs/dbraw/zinc/27/86/32/609278632.db2.gz KSDQHOZMWCDWFX-UHFFFAOYSA-N 1 0 391.479 2.351 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)C[C@H]1[NH+]1CCCC1 ZINC000446420475 649980452 /nfs/dbraw/zinc/98/04/52/649980452.db2.gz JCSHTXPSBCKYOR-VXGBXAGGSA-N 1 0 386.315 2.202 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824573361 609329197 /nfs/dbraw/zinc/32/91/97/609329197.db2.gz ZAPMAQKAJASGPJ-BXUZGUMPSA-N 1 0 375.379 2.235 20 0 GEADRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826214113 609331338 /nfs/dbraw/zinc/33/13/38/609331338.db2.gz ALZYDWQWGHEAMG-GFCCVEGCSA-N 1 0 384.415 2.095 20 0 GEADRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617928 609332113 /nfs/dbraw/zinc/33/21/13/609332113.db2.gz LQTLNOMYDVHSSO-LBPRGKRZSA-N 1 0 389.456 2.401 20 0 GEADRO C[C@@H]1CCCCN1CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824937619 609336848 /nfs/dbraw/zinc/33/68/48/609336848.db2.gz QAHHPRORPVECNZ-OAHLLOKOSA-N 1 0 380.500 2.231 20 0 GEADRO CC(C)C[NH+]1CCC(NCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824261897 609336860 /nfs/dbraw/zinc/33/68/60/609336860.db2.gz TXEYUENWTQFKMY-UHFFFAOYSA-N 1 0 394.527 2.477 20 0 GEADRO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCCC1 ZINC000825122154 609337126 /nfs/dbraw/zinc/33/71/26/609337126.db2.gz XJPQTQBTQRHKIO-GOSISDBHSA-N 1 0 380.500 2.231 20 0 GEADRO Cc1n[nH]cc1CCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826233422 609337131 /nfs/dbraw/zinc/33/71/31/609337131.db2.gz GSRWCQUISNZQPJ-UHFFFAOYSA-N 1 0 377.456 2.021 20 0 GEADRO C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579467 609337417 /nfs/dbraw/zinc/33/74/17/609337417.db2.gz ZNBORXHKXZQDFS-QVKFZJNVSA-N 1 0 396.470 2.293 20 0 GEADRO Cn1cc(C[NH2+]C[C@](C)(O)c2ccsc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361043 609340086 /nfs/dbraw/zinc/34/00/86/609340086.db2.gz JGEGFCMZZMSFOU-IBGZPJMESA-N 1 0 395.492 2.326 20 0 GEADRO Cn1cc(C[NH2+]Cc2ccc(O)c(F)c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361769 609340502 /nfs/dbraw/zinc/34/05/02/609340502.db2.gz NWDCWYWRGSKIDP-UHFFFAOYSA-N 1 0 379.399 2.402 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361214 609343268 /nfs/dbraw/zinc/34/32/68/609343268.db2.gz PPDVJHSRKXSDHW-QGZVFWFLSA-N 1 0 379.468 2.459 20 0 GEADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545581 609343474 /nfs/dbraw/zinc/34/34/74/609343474.db2.gz DDGIKPRZNMKKQR-FASAQXTFSA-N 1 0 388.491 2.424 20 0 GEADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824466321 609344674 /nfs/dbraw/zinc/34/46/74/609344674.db2.gz WHXHGRRFHRSHKU-STQMWFEESA-N 1 0 393.426 2.455 20 0 GEADRO Cn1cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361622 609345302 /nfs/dbraw/zinc/34/53/02/609345302.db2.gz GAKQPPZXSWGIBS-KRWDZBQOSA-N 1 0 395.467 2.043 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361623 609345390 /nfs/dbraw/zinc/34/53/90/609345390.db2.gz GAKQPPZXSWGIBS-QGZVFWFLSA-N 1 0 395.467 2.043 20 0 GEADRO O=C(C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)NCC1CC1 ZINC000826412121 609347177 /nfs/dbraw/zinc/34/71/77/609347177.db2.gz BXJJHMOSFFRJHS-UHFFFAOYSA-N 1 0 392.463 2.062 20 0 GEADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826431285 609395440 /nfs/dbraw/zinc/39/54/40/609395440.db2.gz XBXDWVYKQNRGRM-UHFFFAOYSA-N 1 0 389.891 2.300 20 0 GEADRO c1ccc2c(c1)CC[C@H](C[NH+]1CCN(c3cc(-c4nn[nH]n4)ccn3)CC1)C2 ZINC000826523707 609419142 /nfs/dbraw/zinc/41/91/42/609419142.db2.gz UWSAWOSUNUHFFC-INIZCTEOSA-N 1 0 375.480 2.189 20 0 GEADRO C[C@@H](CNc1nc2ccccn2c1-c1nn[nH]n1)[N@@H+]1CCc2sccc2C1 ZINC000824435712 609458477 /nfs/dbraw/zinc/45/84/77/609458477.db2.gz ORPLWLKTLKIERH-LBPRGKRZSA-N 1 0 380.481 2.435 20 0 GEADRO Cc1cc(OCc2cccc(-c3nn[nH]n3)c2)ccc1NC(=O)NCC[NH+](C)C ZINC000826271677 609495878 /nfs/dbraw/zinc/49/58/78/609495878.db2.gz CCEYCFGUPNZWKU-UHFFFAOYSA-N 1 0 395.467 2.437 20 0 GEADRO Cc1c(Cl)cnc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1-c1nn[nH]n1 ZINC000826239567 609530849 /nfs/dbraw/zinc/53/08/49/609530849.db2.gz KSNMGCJGBYSFKX-HNNXBMFYSA-N 1 0 399.886 2.055 20 0 GEADRO Cc1ccnc(NCCC[NH+]2CCN(c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826313592 609533370 /nfs/dbraw/zinc/53/33/70/609533370.db2.gz MLDCRCCJAGLYRM-UHFFFAOYSA-N 1 0 378.484 2.194 20 0 GEADRO Cc1ccnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C(C)C)c1-c1nn[nH]n1 ZINC000826314892 609555522 /nfs/dbraw/zinc/55/55/22/609555522.db2.gz QSOGDBWJAUXMSS-GFCCVEGCSA-N 1 0 385.501 2.361 20 0 GEADRO Clc1nsc(N2CCC(CCC[NH+]3CCOCC3)CC2)c1-c1nn[nH]n1 ZINC000826354074 609558704 /nfs/dbraw/zinc/55/87/04/609558704.db2.gz OPSPIPGFGQGVCW-UHFFFAOYSA-N 1 0 397.936 2.305 20 0 GEADRO Cc1c(Cl)cnc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1-c1nn[nH]n1 ZINC000826239052 609577135 /nfs/dbraw/zinc/57/71/35/609577135.db2.gz WWIXYTMYQIXINM-UONOGXRCSA-N 1 0 377.880 2.279 20 0 GEADRO Cc1c(Cl)cnc(NCc2ccnc(OCC[NH+](C)C)c2)c1-c1nn[nH]n1 ZINC000826240206 609582908 /nfs/dbraw/zinc/58/29/08/609582908.db2.gz INFDUYJJAKYIRP-UHFFFAOYSA-N 1 0 388.863 2.171 20 0 GEADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4nccnc4-c4nn[nH]n4)[C@H]3C2)cc1 ZINC000826521417 609595815 /nfs/dbraw/zinc/59/58/15/609595815.db2.gz LIKZEPDZZFJBFN-YESZJQIVSA-N 1 0 376.468 2.369 20 0 GEADRO COc1ccsc1C[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826221390 609601538 /nfs/dbraw/zinc/60/15/38/609601538.db2.gz CGCWLDBBLZPCIG-CQSZACIVSA-N 1 0 384.465 2.222 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)c(F)cc3F)C[C@@H]21 ZINC000447254735 650004141 /nfs/dbraw/zinc/00/41/41/650004141.db2.gz HSIHWVLUUCCVMC-VYUIOLGVSA-N 1 0 395.269 2.475 20 0 GEADRO COc1cc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)sc1S(N)(=O)=O ZINC000447432014 650006758 /nfs/dbraw/zinc/00/67/58/650006758.db2.gz RDLWIXLWMYVKBC-UHFFFAOYSA-N 1 0 383.495 2.026 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000448278573 650014845 /nfs/dbraw/zinc/01/48/45/650014845.db2.gz NCJCETQAAMKNFQ-VXGBXAGGSA-N 1 0 394.107 2.423 20 0 GEADRO CCC[NH+]1CCN(Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)CC1 ZINC000449002224 650029457 /nfs/dbraw/zinc/02/94/57/650029457.db2.gz JVCUHSGAGYZCNE-CQSZACIVSA-N 1 0 398.345 2.490 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000449098702 650031620 /nfs/dbraw/zinc/03/16/20/650031620.db2.gz QRBYBSYGVDTZTR-KGLIPLIRSA-N 1 0 385.302 2.443 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@](C)(O)C(C)C ZINC000449152771 650033410 /nfs/dbraw/zinc/03/34/10/650033410.db2.gz HCRMHMMQOGLVRR-SJCJKPOMSA-N 1 0 387.318 2.459 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000449218958 650034641 /nfs/dbraw/zinc/03/46/41/650034641.db2.gz BMPFPUIWLACPMB-GXFFZTMASA-N 1 0 379.295 2.396 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000449227060 650034652 /nfs/dbraw/zinc/03/46/52/650034652.db2.gz OAGYWDPQAOFOMB-IINYFYTJSA-N 1 0 375.252 2.266 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000449218959 650034693 /nfs/dbraw/zinc/03/46/93/650034693.db2.gz BMPFPUIWLACPMB-MFKMUULPSA-N 1 0 379.295 2.396 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000449221934 650034760 /nfs/dbraw/zinc/03/47/60/650034760.db2.gz LAWRTTXQMVLSSA-ZWNOBZJWSA-N 1 0 379.295 2.396 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000449242885 650035601 /nfs/dbraw/zinc/03/56/01/650035601.db2.gz ZHDYZBGYPWLGAS-CHWSQXEVSA-N 1 0 385.302 2.479 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000449241031 650035806 /nfs/dbraw/zinc/03/58/06/650035806.db2.gz QPOLQBUMJPBGBF-LBPRGKRZSA-N 1 0 387.274 2.254 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000449279614 650037305 /nfs/dbraw/zinc/03/73/05/650037305.db2.gz RPRGAWOPWYQUGO-GXFFZTMASA-N 1 0 375.252 2.266 20 0 GEADRO CCn1c(C[NH2+][C@@H](C)COCC(=O)OC)nc2cc(Br)ccc21 ZINC000449282543 650037328 /nfs/dbraw/zinc/03/73/28/650037328.db2.gz HMRXYGZUMDFOEF-NSHDSACASA-N 1 0 384.274 2.486 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000449286498 650037718 /nfs/dbraw/zinc/03/77/18/650037718.db2.gz HMEHFJWNLTXLFQ-XIKOKIGWSA-N 1 0 397.313 2.309 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)[C@@H](C)O1 ZINC000449319039 650038233 /nfs/dbraw/zinc/03/82/33/650038233.db2.gz XPUYWBDNPFLSMS-YRGRVCCFSA-N 1 0 391.331 2.273 20 0 GEADRO C[C@@H](C[NH2+]CCn1cc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000449323055 650038328 /nfs/dbraw/zinc/03/83/28/650038328.db2.gz RLMZKLUTUWQGKU-LBPRGKRZSA-N 1 0 386.315 2.442 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](CO)C(C)C ZINC000449322374 650038376 /nfs/dbraw/zinc/03/83/76/650038376.db2.gz XGKXNDGVKUMWFW-JSGCOSHPSA-N 1 0 387.318 2.317 20 0 GEADRO OCc1cn(CCC[NH2+]Cc2ccnc3c(Br)cccc23)nn1 ZINC000449327721 650038403 /nfs/dbraw/zinc/03/84/03/650038403.db2.gz FRJATUUDUNDFKD-UHFFFAOYSA-N 1 0 376.258 2.261 20 0 GEADRO 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379.657 2.428 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC000450264579 650063156 /nfs/dbraw/zinc/06/31/56/650063156.db2.gz UEPXCJZRMYCQEA-AWEZNQCLSA-N 1 0 387.293 2.436 20 0 GEADRO O=c1[n-]nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)o1 ZINC000450899825 650074845 /nfs/dbraw/zinc/07/48/45/650074845.db2.gz DVDONOQZDSOVCU-YPMHNXCESA-N 1 0 398.257 2.157 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000451237083 650097092 /nfs/dbraw/zinc/09/70/92/650097092.db2.gz BJCQHMKTWJOEAL-IAQYHMDHSA-N 1 0 388.917 2.396 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000451250785 650098136 /nfs/dbraw/zinc/09/81/36/650098136.db2.gz XVACKPAUKBQXLB-ZYHUDNBSSA-N 1 0 379.295 2.490 20 0 GEADRO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000451250930 650098355 /nfs/dbraw/zinc/09/83/55/650098355.db2.gz GYFQCRHJFCENJE-STQMWFEESA-N 1 0 388.452 2.007 20 0 GEADRO 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379.295 2.490 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451425957 650113019 /nfs/dbraw/zinc/11/30/19/650113019.db2.gz HQIKWKYBTLALPU-SMDDNHRTSA-N 1 0 384.192 2.030 20 0 GEADRO Cc1ccc(NC(=O)CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(Br)c1 ZINC000451650824 650128826 /nfs/dbraw/zinc/12/88/26/650128826.db2.gz FLUKIUPLIVBNQO-OKILXGFUSA-N 1 0 384.318 2.083 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000451664866 650130710 /nfs/dbraw/zinc/13/07/10/650130710.db2.gz CJUXXDDYIUXZEK-CYBMUJFWSA-N 1 0 381.325 2.260 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)cc1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451663766 650130805 /nfs/dbraw/zinc/13/08/05/650130805.db2.gz BCBSAQNATIOZIG-AWEZNQCLSA-N 1 0 381.325 2.260 20 0 GEADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H](C)[C@H](C(N)=O)C3)C2=O)ccc1Br ZINC000451704389 650134609 /nfs/dbraw/zinc/13/46/09/650134609.db2.gz XCHVBTKMPLSPNT-XPKDYRNWSA-N 1 0 394.313 2.306 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451880414 650149551 /nfs/dbraw/zinc/14/95/51/650149551.db2.gz WMNWPPGEMRNPIE-VNHYZAJKSA-N 1 0 388.917 2.078 20 0 GEADRO C[C@@](CO)([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000451904527 650151603 /nfs/dbraw/zinc/15/16/03/650151603.db2.gz GCKXWOGXDCIVOA-LRDDRELGSA-N 1 0 395.352 2.462 20 0 GEADRO O[C@H]([C@H]1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C1)C(F)(F)F ZINC000451914394 650153060 /nfs/dbraw/zinc/15/30/60/650153060.db2.gz UKJAOJBZZDAMGP-VHRBIJSZSA-N 1 0 398.219 2.434 20 0 GEADRO COC[C@]1(CO)CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000451930314 650154553 /nfs/dbraw/zinc/15/45/53/650154553.db2.gz QQJNZBZTWMTNJZ-MRXNPFEDSA-N 1 0 389.265 2.248 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1Cl ZINC000451928443 650154587 /nfs/dbraw/zinc/15/45/87/650154587.db2.gz KMUBYHJYZJBMBC-JTQLQIEISA-N 1 0 385.313 2.247 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000452046911 650168929 /nfs/dbraw/zinc/16/89/29/650168929.db2.gz JHAIEPZBTCZOIB-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/18/39/61/650183961.db2.gz KVALUZXNAUJZGR-CQSZACIVSA-N 1 0 385.295 2.147 20 0 GEADRO COc1ccc(CCC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1Br ZINC000452393126 650184202 /nfs/dbraw/zinc/18/42/02/650184202.db2.gz RZHDILOUVYVRAI-OAHLLOKOSA-N 1 0 399.329 2.353 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1c(Br)cncc1Br ZINC000452832710 650198950 /nfs/dbraw/zinc/19/89/50/650198950.db2.gz XRFDCBXOBLZKPT-WCBMZHEXSA-N 1 0 391.107 2.421 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)c(I)c1 ZINC000453132133 650206184 /nfs/dbraw/zinc/20/61/84/650206184.db2.gz HSSKVCBORUCEGV-CMPLNLGQSA-N 1 0 378.229 2.412 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ncc(Br)cc3Br)C[C@@H]21 ZINC000452975708 650201902 /nfs/dbraw/zinc/20/19/02/650201902.db2.gz NYWADXPTXPIOQY-KCJUWKMLSA-N 1 0 389.091 2.383 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1ccncn1 ZINC000453094529 650205591 /nfs/dbraw/zinc/20/55/91/650205591.db2.gz PYLNLAKNSFNHMU-YPMHNXCESA-N 1 0 399.232 2.172 20 0 GEADRO COc1ccc2c(c1)C[C@H]([NH2+]CCn1cc(Br)ccc1=O)CO2 ZINC000453247600 650207287 /nfs/dbraw/zinc/20/72/87/650207287.db2.gz KCCCIWHESZQTRY-AWEZNQCLSA-N 1 0 379.254 2.213 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000453270016 650207319 /nfs/dbraw/zinc/20/73/19/650207319.db2.gz DJBQUVGOEAICOV-CVEARBPZSA-N 1 0 388.327 2.356 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000453270018 650207625 /nfs/dbraw/zinc/20/76/25/650207625.db2.gz DJBQUVGOEAICOV-HZPDHXFCSA-N 1 0 388.327 2.356 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000453275462 650207673 /nfs/dbraw/zinc/20/76/73/650207673.db2.gz FFQXHBLBQCIRCY-NOZJJQNGSA-N 1 0 379.295 2.493 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000453277351 650207721 /nfs/dbraw/zinc/20/77/21/650207721.db2.gz OAVUHWGPNTYROF-KBPBESRZSA-N 1 0 394.718 2.229 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccccc1I ZINC000453293464 650207979 /nfs/dbraw/zinc/20/79/79/650207979.db2.gz WWRNLMVBGJKUEV-MNOVXSKESA-N 1 0 396.294 2.270 20 0 GEADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453312646 650208288 /nfs/dbraw/zinc/20/82/88/650208288.db2.gz HDRAAFSEKXESHG-PKFCDNJMSA-N 1 0 397.324 2.343 20 0 GEADRO C[C@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCC(=O)N1 ZINC000453581665 650209358 /nfs/dbraw/zinc/20/93/58/650209358.db2.gz AKCUGLJZVVTALF-QGZVFWFLSA-N 1 0 382.302 2.044 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12)[NH+](C)C ZINC000453602251 650209799 /nfs/dbraw/zinc/20/97/99/650209799.db2.gz SQIFVVCMVVLBJJ-SNVBAGLBSA-N 1 0 379.258 2.002 20 0 GEADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)s1 ZINC000453605375 650210181 /nfs/dbraw/zinc/21/01/81/650210181.db2.gz WNUWNYHXFNULED-LLVKDONJSA-N 1 0 396.376 2.179 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000453607506 650210370 /nfs/dbraw/zinc/21/03/70/650210370.db2.gz GCOAZOAAGDSJDF-VXGBXAGGSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000453610990 650210625 /nfs/dbraw/zinc/21/06/25/650210625.db2.gz RJCDXLQAOCGYFG-VXGBXAGGSA-N 1 0 397.317 2.470 20 0 GEADRO CCN(C)C(=O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000453624477 650210744 /nfs/dbraw/zinc/21/07/44/650210744.db2.gz FQSGWTHRHYUJEC-LBPRGKRZSA-N 1 0 397.317 2.006 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cnc2C)C1 ZINC000453651090 650212259 /nfs/dbraw/zinc/21/22/59/650212259.db2.gz BUYHXSRUISVAAX-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000453651477 650212367 /nfs/dbraw/zinc/21/23/67/650212367.db2.gz CMXQZQWIPKQLEI-AGUYFDCRSA-N 1 0 395.301 2.223 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000453653461 650212727 /nfs/dbraw/zinc/21/27/27/650212727.db2.gz UIFYDGBUCCORKL-SNVBAGLBSA-N 1 0 388.693 2.451 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000453684827 650215528 /nfs/dbraw/zinc/21/55/28/650215528.db2.gz ZFDCMHPEWDBYMZ-AWEZNQCLSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000453694445 650216700 /nfs/dbraw/zinc/21/67/00/650216700.db2.gz UFXNKWAJGVTSQV-GFCCVEGCSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000453701867 650217645 /nfs/dbraw/zinc/21/76/45/650217645.db2.gz TUFDMEUSFYCQDW-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Br)cnc2C)[C@@H](C)C1 ZINC000453710052 650218512 /nfs/dbraw/zinc/21/85/12/650218512.db2.gz DZUVMAXZTXXEPK-NHYWBVRUSA-N 1 0 397.317 2.280 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000453713302 650218967 /nfs/dbraw/zinc/21/89/67/650218967.db2.gz UJRSXZCCYZXHCE-LBPRGKRZSA-N 1 0 397.317 2.280 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000453737383 650221128 /nfs/dbraw/zinc/22/11/28/650221128.db2.gz FMECHPCNNQNLDR-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000453740427 650221521 /nfs/dbraw/zinc/22/15/21/650221521.db2.gz CHZWSQKYHFDRLH-IUODEOHRSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453747268 650222322 /nfs/dbraw/zinc/22/23/22/650222322.db2.gz JDOOERDVKURSKP-JTQLQIEISA-N 1 0 379.258 2.002 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453769387 650224638 /nfs/dbraw/zinc/22/46/38/650224638.db2.gz VPDDHGGBZLMKQF-LLVKDONJSA-N 1 0 385.306 2.328 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2Br)CC[N@@H+](C2CC2)C1 ZINC000453768303 650224709 /nfs/dbraw/zinc/22/47/09/650224709.db2.gz MGAHZAFHQVIVOJ-LLVKDONJSA-N 1 0 398.276 2.469 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@@H]21 ZINC000453926691 650236880 /nfs/dbraw/zinc/23/68/80/650236880.db2.gz KJYLJJBFFJWBCM-RNCFNFMXSA-N 1 0 375.778 2.460 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@H](C)[N@H+]1C ZINC000454361144 650264049 /nfs/dbraw/zinc/26/40/49/650264049.db2.gz VEHYYKOLWIQGRK-TXEJJXNPSA-N 1 0 380.290 2.331 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccccc4Br)C3)C[C@@H]21 ZINC000454488299 650267659 /nfs/dbraw/zinc/26/76/59/650267659.db2.gz QBQPTGNYCNMXMF-CPUCHLNUSA-N 1 0 393.329 2.373 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000454640144 650274294 /nfs/dbraw/zinc/27/42/94/650274294.db2.gz JHOWQQJPFAWVGV-DZGCQCFKSA-N 1 0 387.933 2.286 20 0 GEADRO CN(Cc1ccc(Br)c(F)c1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000455002495 650286694 /nfs/dbraw/zinc/28/66/94/650286694.db2.gz MWDWIMIYELSMEN-UHFFFAOYSA-N 1 0 388.281 2.452 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC000455380056 650301762 /nfs/dbraw/zinc/30/17/62/650301762.db2.gz SMUXDPWVLWXCLL-UHFFFAOYSA-N 1 0 394.317 2.286 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000455662278 650311883 /nfs/dbraw/zinc/31/18/83/650311883.db2.gz VJMKGKLTCNMONU-UHFFFAOYSA-N 1 0 387.271 2.347 20 0 GEADRO Cc1csc([C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C(F)(F)F)n1 ZINC000455706989 650313595 /nfs/dbraw/zinc/31/35/95/650313595.db2.gz PYIKPVASFUMFJV-NEPJUHHUSA-N 1 0 380.436 2.201 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000455712530 650314165 /nfs/dbraw/zinc/31/41/65/650314165.db2.gz URWKSHKIOCSABC-NEPJUHHUSA-N 1 0 382.452 2.447 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(I)cn2)C1 ZINC000455770176 650317837 /nfs/dbraw/zinc/31/78/37/650317837.db2.gz NDYDOLBCDABMSL-LBPRGKRZSA-N 1 0 387.265 2.490 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1nnc2ccc(Br)cn21 ZINC000455748578 650315327 /nfs/dbraw/zinc/31/53/27/650315327.db2.gz CJLXUSLNVUYSAD-RYUDHWBXSA-N 1 0 395.305 2.876 20 0 GEADRO C[C@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[NH+]1CCC(C)CC1 ZINC000455819055 650320014 /nfs/dbraw/zinc/32/00/14/650320014.db2.gz AJVYKLCHPVQMLB-GFCCVEGCSA-N 1 0 395.305 2.734 20 0 GEADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CCC([NH+]2CCCC2)CC1 ZINC000455839549 650321234 /nfs/dbraw/zinc/32/12/34/650321234.db2.gz HSUAEAGHUFKXQQ-UHFFFAOYSA-N 1 0 393.289 2.584 20 0 GEADRO C[C@H]1CN(C(=O)c2ccc(I)cn2)CC[N@@H+](C2CC2)C1 ZINC000456025248 650327779 /nfs/dbraw/zinc/32/77/79/650327779.db2.gz CHCOBERLHFTFNL-LLVKDONJSA-N 1 0 385.249 2.243 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(I)cn3)C2)C1 ZINC000456029174 650327877 /nfs/dbraw/zinc/32/78/77/650327877.db2.gz JCAUXPUVBSZRED-HNNXBMFYSA-N 1 0 385.249 2.244 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(I)cn1 ZINC000456050030 650328667 /nfs/dbraw/zinc/32/86/67/650328667.db2.gz IGLNKGFOCHVDAF-WCQYABFASA-N 1 0 385.249 2.385 20 0 GEADRO C[C@@H]1CN(C(=O)CCOc2ccccc2Br)C[C@H](C)[N@H+]1CCO ZINC000456205754 650334018 /nfs/dbraw/zinc/33/40/18/650334018.db2.gz CESQOAZABWMOJY-OKILXGFUSA-N 1 0 385.302 2.132 20 0 GEADRO CC[NH+](CC)CC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456470072 650341131 /nfs/dbraw/zinc/34/11/31/650341131.db2.gz ATWQRDCLOVHTMG-GFCCVEGCSA-N 1 0 375.282 2.197 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc1Br ZINC000456512317 650346016 /nfs/dbraw/zinc/34/60/16/650346016.db2.gz ZXWBELOXSCHKPZ-VNQPRFMTSA-N 1 0 383.330 2.222 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)c1cc(F)c(Br)c(Cl)c1 ZINC000456584011 650350123 /nfs/dbraw/zinc/35/01/23/650350123.db2.gz OUCKEBQNCZGMNM-UHFFFAOYSA-N 1 0 379.657 2.428 20 0 GEADRO CC(C)[C@H](C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456713584 650357159 /nfs/dbraw/zinc/35/71/59/650357159.db2.gz IRSZWQJBZDUVOJ-CZUORRHYSA-N 1 0 389.309 2.442 20 0 GEADRO CCC[C@@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[NH+](C)C ZINC000456978636 650369367 /nfs/dbraw/zinc/36/93/67/650369367.db2.gz HUHJDDZMOLRLRO-ZDUSSCGKSA-N 1 0 385.306 2.350 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000457048072 650372560 /nfs/dbraw/zinc/37/25/60/650372560.db2.gz DJEDNLHWRBKUTK-UHFFFAOYSA-N 1 0 396.289 2.286 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(Cl)c1OC ZINC000500548873 650380288 /nfs/dbraw/zinc/38/02/88/650380288.db2.gz WESWDLZTRYHYJX-TZMCWYRMSA-N 1 0 376.906 2.165 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(Br)co2)CC1 ZINC000457522993 650380311 /nfs/dbraw/zinc/38/03/11/650380311.db2.gz ZHXKRRIBCOGQDB-UHFFFAOYSA-N 1 0 379.258 2.119 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000500567410 650380411 /nfs/dbraw/zinc/38/04/11/650380411.db2.gz RFGOABMHTAJJGF-FZMZJTMJSA-N 1 0 379.295 2.396 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(Cl)c1 ZINC000500500569 650379769 /nfs/dbraw/zinc/37/97/69/650379769.db2.gz RIEAZEIIQLNGEC-MRXNPFEDSA-N 1 0 385.961 2.439 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C(C)(C)C1 ZINC000500509500 650379901 /nfs/dbraw/zinc/37/99/01/650379901.db2.gz YULWAPDTGBYQLB-OAHLLOKOSA-N 1 0 394.313 2.355 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000500568548 650380690 /nfs/dbraw/zinc/38/06/90/650380690.db2.gz HUTDYCXSBGPWMM-YGRLFVJLSA-N 1 0 379.295 2.396 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000501343457 650390233 /nfs/dbraw/zinc/39/02/33/650390233.db2.gz ZHJDOONIZNXQNY-LBPRGKRZSA-N 1 0 382.302 2.120 20 0 GEADRO COC(=O)CN(C)C(=O)CC[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000501420519 650391459 /nfs/dbraw/zinc/39/14/59/650391459.db2.gz QQHHHWRRTYSRPT-GFCCVEGCSA-N 1 0 383.286 2.217 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NC[C@@H]2CCC[N@H+]2C)cc1Br ZINC000458013748 650392748 /nfs/dbraw/zinc/39/27/48/650392748.db2.gz NNNGIPARVFNMBE-HOTGVXAUSA-N 1 0 398.345 2.302 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC[C@H]2CCC[N@H+]2C)cc1Br ZINC000458013750 650392910 /nfs/dbraw/zinc/39/29/10/650392910.db2.gz NNNGIPARVFNMBE-HZPDHXFCSA-N 1 0 398.345 2.302 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000501645194 650396035 /nfs/dbraw/zinc/39/60/35/650396035.db2.gz IEFZQSKZCGTOQS-JTQLQIEISA-N 1 0 388.331 2.182 20 0 GEADRO Cc1cc(NC(=O)CCNS(=O)(=O)c2cccs2)ccc1C[NH+](C)C ZINC000458324574 650400301 /nfs/dbraw/zinc/40/03/01/650400301.db2.gz SOFJIXATSINKDE-UHFFFAOYSA-N 1 0 381.523 2.425 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NCC[N@@H+](C)C2CC2)cc1Br ZINC000458386858 650401614 /nfs/dbraw/zinc/40/16/14/650401614.db2.gz NXWXKDBJLAREOI-OAHLLOKOSA-N 1 0 398.345 2.302 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458396773 650402048 /nfs/dbraw/zinc/40/20/48/650402048.db2.gz MHOOFQQJFYYOCB-MRXNPFEDSA-N 1 0 384.318 2.138 20 0 GEADRO CC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H](O)C(F)F ZINC000458390080 650402119 /nfs/dbraw/zinc/40/21/19/650402119.db2.gz QKELHTQOFFXXTA-KBPBESRZSA-N 1 0 379.517 2.442 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000502604364 650409186 /nfs/dbraw/zinc/40/91/86/650409186.db2.gz RWJLIKISLVJVAG-OAHLLOKOSA-N 1 0 385.306 2.173 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cn1 ZINC000458728231 650409457 /nfs/dbraw/zinc/40/94/57/650409457.db2.gz GAJVCVIUCCUGRN-JSGCOSHPSA-N 1 0 385.306 2.051 20 0 GEADRO O=S(=O)([C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1)N1CCOCC1 ZINC000502376411 650405732 /nfs/dbraw/zinc/40/57/32/650405732.db2.gz NLPCLMKZDZBHLS-QGZVFWFLSA-N 1 0 388.530 2.044 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)NCc1nc(C)c(Br)s1 ZINC000458683591 650407602 /nfs/dbraw/zinc/40/76/02/650407602.db2.gz XXJPVLNCMJOJEH-UHFFFAOYSA-N 1 0 393.351 2.372 20 0 GEADRO C[NH+](C)CCOCCNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000458704119 650408244 /nfs/dbraw/zinc/40/82/44/650408244.db2.gz XCVMLDYMYHGKTF-UHFFFAOYSA-N 1 0 391.299 2.199 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000502694007 650410118 /nfs/dbraw/zinc/41/01/18/650410118.db2.gz LEBQKDVCDYHEID-UONOGXRCSA-N 1 0 384.318 2.354 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000502712177 650410491 /nfs/dbraw/zinc/41/04/91/650410491.db2.gz PFFGIELVXWJCAR-HNNXBMFYSA-N 1 0 387.571 2.317 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)cc3[nH]cnc32)CCSC1 ZINC000502997932 650413751 /nfs/dbraw/zinc/41/37/51/650413751.db2.gz LYLMAXRRXOKIQM-HNNXBMFYSA-N 1 0 383.315 2.493 20 0 GEADRO O=C(NCCC[NH2+]C1CCCCC1)NCCn1cc(Br)ccc1=O ZINC000458919261 650414053 /nfs/dbraw/zinc/41/40/53/650414053.db2.gz LQXPAMGTIJEHLA-UHFFFAOYSA-N 1 0 399.333 2.222 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)NC/C=C/c2ccc(Br)cc2)CCO1 ZINC000458973736 650416488 /nfs/dbraw/zinc/41/64/88/650416488.db2.gz MTXPELZGHHRZHH-QDLOVBKTSA-N 1 0 382.302 2.434 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2sc(C)cc2Br)C[C@@H]1[NH+](C)C ZINC000503207986 650415637 /nfs/dbraw/zinc/41/56/37/650415637.db2.gz MRSSKLXBCLLAAS-QWRGUYRKSA-N 1 0 399.401 2.485 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@@H]1[NH+](C)C ZINC000503205678 650415709 /nfs/dbraw/zinc/41/57/09/650415709.db2.gz CLNOLMXWZPWXNM-UONOGXRCSA-N 1 0 383.564 2.476 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2sc(C)cc2Br)C[C@H]1[NH+](C)C ZINC000503207984 650415728 /nfs/dbraw/zinc/41/57/28/650415728.db2.gz MRSSKLXBCLLAAS-GHMZBOCLSA-N 1 0 399.401 2.485 20 0 GEADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000503445023 650417614 /nfs/dbraw/zinc/41/76/14/650417614.db2.gz BBYDPOJMXDTTTB-CABCVRRESA-N 1 0 381.567 2.296 20 0 GEADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(CC)CC(=O)NCc1cccs1 ZINC000503458999 650418007 /nfs/dbraw/zinc/41/80/07/650418007.db2.gz IJSMONROCVTVOZ-HOTGVXAUSA-N 1 0 383.583 2.477 20 0 GEADRO Cc1cc(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000459163082 650420301 /nfs/dbraw/zinc/42/03/01/650420301.db2.gz AXDULRFEKCDARL-OAHLLOKOSA-N 1 0 384.318 2.404 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)ccc1Br ZINC000459165534 650420390 /nfs/dbraw/zinc/42/03/90/650420390.db2.gz CQQYOYCTDQRYOQ-CZUORRHYSA-N 1 0 384.318 2.354 20 0 GEADRO Cc1cc(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1Br ZINC000459187538 650420759 /nfs/dbraw/zinc/42/07/59/650420759.db2.gz UZFQJXXUOHJHQR-OAHLLOKOSA-N 1 0 384.318 2.404 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459337002 650422943 /nfs/dbraw/zinc/42/29/43/650422943.db2.gz DWHSRRNVOIPORJ-UHFFFAOYSA-N 1 0 386.480 2.482 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[C@H]1Sc1ccccc1 ZINC000459445737 650424478 /nfs/dbraw/zinc/42/44/78/650424478.db2.gz SJKOQTSVXLCOGS-VDHUWJSZSA-N 1 0 384.567 2.196 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)Nc1ncc(Br)cc1S(N)(=O)=O ZINC000504023995 650425858 /nfs/dbraw/zinc/42/58/58/650425858.db2.gz OMOYKJABUJSIPF-NSHDSACASA-N 1 0 393.351 2.414 20 0 GEADRO O=C(CNC1CC[NH+](C2CC2)CC1)Nc1ccc(I)cc1 ZINC000459518854 650427102 /nfs/dbraw/zinc/42/71/02/650427102.db2.gz GSVMFLUEDGBKBE-UHFFFAOYSA-N 1 0 399.276 2.446 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@H](C)C1 ZINC000504139590 650427773 /nfs/dbraw/zinc/42/77/73/650427773.db2.gz FUGMPSIFHPDRDY-OSRSDYAFSA-N 1 0 396.329 2.402 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)[C@@H]1SC ZINC000459544098 650428178 /nfs/dbraw/zinc/42/81/78/650428178.db2.gz CSNHMOCKSAFYJA-LZWOXQAQSA-N 1 0 392.974 2.425 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000459895504 650435073 /nfs/dbraw/zinc/43/50/73/650435073.db2.gz DJHNITUYFJSDQI-UHFFFAOYSA-N 1 0 398.345 2.454 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)Cn1ccnn1 ZINC000459706023 650430426 /nfs/dbraw/zinc/43/04/26/650430426.db2.gz INVYHYHKIYLGIW-LLVKDONJSA-N 1 0 379.180 2.210 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)Cn1ccnn1 ZINC000459716144 650430878 /nfs/dbraw/zinc/43/08/78/650430878.db2.gz PPQIIMLSEBBPMH-JTQLQIEISA-N 1 0 395.179 2.090 20 0 GEADRO Cc1c(Br)cc(CN2C[C@@H](O)[C@H](CO)C2)cc1Br ZINC000459714147 650430881 /nfs/dbraw/zinc/43/08/81/650430881.db2.gz TVEPIAUPDFNLMN-GXFFZTMASA-N 1 0 379.092 2.305 20 0 GEADRO CCn1nnc(C)c1C[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459716759 650431306 /nfs/dbraw/zinc/43/13/06/650431306.db2.gz ZZIGLDBBDWVNGU-CYBMUJFWSA-N 1 0 385.281 2.449 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000459900260 650435272 /nfs/dbraw/zinc/43/52/72/650435272.db2.gz RWBSAFQAGQPWBI-UHFFFAOYSA-N 1 0 390.709 2.081 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000504820951 650432521 /nfs/dbraw/zinc/43/25/21/650432521.db2.gz VADPJDKEPNNZFL-WPGHFRTFSA-N 1 0 382.302 2.407 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000459883979 650434689 /nfs/dbraw/zinc/43/46/89/650434689.db2.gz FWOLDTIKKZRYEA-INIZCTEOSA-N 1 0 377.535 2.304 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000505389205 650437145 /nfs/dbraw/zinc/43/71/45/650437145.db2.gz OVGGGUADPOVECT-UHFFFAOYSA-N 1 0 383.945 2.445 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000460255626 650440928 /nfs/dbraw/zinc/44/09/28/650440928.db2.gz GGLBXWUKEKVCKL-SFHVURJKSA-N 1 0 396.329 2.237 20 0 GEADRO Brc1cc2c(cc1CN1CCN(CC[NH+]3CCCC3)CC1)OCO2 ZINC000505999280 650442719 /nfs/dbraw/zinc/44/27/19/650442719.db2.gz BBYZTWQKLFHREH-UHFFFAOYSA-N 1 0 396.329 2.391 20 0 GEADRO O=S(=O)(c1cccc2nsnc21)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000506084952 650443094 /nfs/dbraw/zinc/44/30/94/650443094.db2.gz DTIIKCNEBMJUOS-AWEZNQCLSA-N 1 0 378.523 2.354 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(Br)c1Cl ZINC000506349646 650444147 /nfs/dbraw/zinc/44/41/47/650444147.db2.gz PZKPHGWJGAQFNW-LBPRGKRZSA-N 1 0 388.693 2.172 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000506937645 650452155 /nfs/dbraw/zinc/45/21/55/650452155.db2.gz RQFXOXFADBSHNR-GFCCVEGCSA-N 1 0 391.896 2.069 20 0 GEADRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000461404283 650453379 /nfs/dbraw/zinc/45/33/79/650453379.db2.gz DCXRLMIODOGTPQ-DEOSSOPVSA-N 1 0 378.519 2.254 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccncc1Br ZINC000507239569 650457072 /nfs/dbraw/zinc/45/70/72/650457072.db2.gz VXUXLAYXYSDWNR-UHFFFAOYSA-N 1 0 378.274 2.257 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000461617873 650457299 /nfs/dbraw/zinc/45/72/99/650457299.db2.gz HROGCJGUHYLNSN-LLVKDONJSA-N 1 0 390.347 2.477 20 0 GEADRO Cc1cc(CNC(=O)N(C)CC[NH+](C)C)ccc1I ZINC000462026073 650464301 /nfs/dbraw/zinc/46/43/01/650464301.db2.gz DLBFJZURALQMTB-UHFFFAOYSA-N 1 0 375.254 2.303 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3sc(C(F)(F)F)nc3C)C2)CC1 ZINC000462053076 650465084 /nfs/dbraw/zinc/46/50/84/650465084.db2.gz LDZZIEKXMPUGLH-LBPRGKRZSA-N 1 0 376.448 2.322 20 0 GEADRO Cc1nc(C(F)(F)F)sc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000462127427 650470182 /nfs/dbraw/zinc/47/01/82/650470182.db2.gz DPAKPIQUDABEME-UHFFFAOYSA-N 1 0 378.464 2.474 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)NCCCCC[NH+]1CCCC1 ZINC000508198846 650477233 /nfs/dbraw/zinc/47/72/33/650477233.db2.gz YZBNZUDLXCAUNP-UHFFFAOYSA-N 1 0 384.318 2.383 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)CCn1cc(Br)ccc1=O ZINC000508208039 650477517 /nfs/dbraw/zinc/47/75/17/650477517.db2.gz WOCMFWKXIQXUOY-UHFFFAOYSA-N 1 0 384.318 2.335 20 0 GEADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000462412930 650478356 /nfs/dbraw/zinc/47/83/56/650478356.db2.gz UTZZZGRWRLAEDN-GOSISDBHSA-N 1 0 377.535 2.399 20 0 GEADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462418646 650478704 /nfs/dbraw/zinc/47/87/04/650478704.db2.gz ZUTZTMDOTAUJFW-ZDUSSCGKSA-N 1 0 379.707 2.477 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000508970958 650485000 /nfs/dbraw/zinc/48/50/00/650485000.db2.gz RRICKARUIBTTED-AWEZNQCLSA-N 1 0 398.301 2.387 20 0 GEADRO CC(C)CCSCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000462763458 650490362 /nfs/dbraw/zinc/49/03/62/650490362.db2.gz OYUARIDVKUCVTI-UHFFFAOYSA-N 1 0 387.571 2.244 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462851925 650491426 /nfs/dbraw/zinc/49/14/26/650491426.db2.gz BVORSMRMOBRMKQ-NWDGAFQWSA-N 1 0 398.301 2.304 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCS2)cc1Cl ZINC000465311201 650497771 /nfs/dbraw/zinc/49/77/71/650497771.db2.gz JGRWXXKVDQMCKF-CYBMUJFWSA-N 1 0 385.917 2.231 20 0 GEADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000468060414 650503735 /nfs/dbraw/zinc/50/37/35/650503735.db2.gz PSXUPSYPMIYESL-CYBMUJFWSA-N 1 0 396.285 2.310 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000509634936 650498115 /nfs/dbraw/zinc/49/81/15/650498115.db2.gz QGTPRWGHOWZEMA-MGPQQGTHSA-N 1 0 394.313 2.353 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000465656908 650498611 /nfs/dbraw/zinc/49/86/11/650498611.db2.gz JBLRLSQWSOXACF-FZMZJTMJSA-N 1 0 383.290 2.170 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc(S(N)(=O)=O)cc1C)c1ccco1 ZINC000509944950 650504002 /nfs/dbraw/zinc/50/40/02/650504002.db2.gz STYMFDBTZYEQCF-LBPRGKRZSA-N 1 0 385.511 2.110 20 0 GEADRO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H](C)S(C)(=O)=O ZINC000468085594 650504066 /nfs/dbraw/zinc/50/40/66/650504066.db2.gz JHAGZCARBKJJTJ-LSDHHAIUSA-N 1 0 384.567 2.286 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(=O)n1C ZINC000469500572 650510707 /nfs/dbraw/zinc/51/07/07/650510707.db2.gz YIZSPIAZSAGTQQ-AWEZNQCLSA-N 1 0 396.329 2.260 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000510035794 650505555 /nfs/dbraw/zinc/50/55/55/650505555.db2.gz SANDEHPQVYSUAH-UHFFFAOYSA-N 1 0 393.292 2.320 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c(=O)n1C ZINC000469500573 650510758 /nfs/dbraw/zinc/51/07/58/650510758.db2.gz YIZSPIAZSAGTQQ-CQSZACIVSA-N 1 0 396.329 2.260 20 0 GEADRO CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000510078779 650506678 /nfs/dbraw/zinc/50/66/78/650506678.db2.gz LRUPMXFOTPPMFB-QWRGUYRKSA-N 1 0 376.238 2.321 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccccc1I ZINC000468798277 650507681 /nfs/dbraw/zinc/50/76/81/650507681.db2.gz COSLMUOYPUPXDK-GFCCVEGCSA-N 1 0 388.249 2.271 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1Br ZINC000468918087 650508078 /nfs/dbraw/zinc/50/80/78/650508078.db2.gz JWKZKMGMQVPDBD-UHFFFAOYSA-N 1 0 399.333 2.452 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000469336805 650509341 /nfs/dbraw/zinc/50/93/41/650509341.db2.gz POOIVTXABMOTSW-ZDUSSCGKSA-N 1 0 388.917 2.294 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000471881799 650518157 /nfs/dbraw/zinc/51/81/57/650518157.db2.gz UWZLLBBEAGJKAG-CYBMUJFWSA-N 1 0 391.921 2.222 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000470298308 650512866 /nfs/dbraw/zinc/51/28/66/650512866.db2.gz RYUYQZXTZWANAB-CYBMUJFWSA-N 1 0 389.327 2.186 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000510518891 650513025 /nfs/dbraw/zinc/51/30/25/650513025.db2.gz RWAMKFIPYFQMIK-DOMZBBRYSA-N 1 0 386.901 2.374 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)c1ccc(Br)cc1 ZINC000510853993 650520348 /nfs/dbraw/zinc/52/03/48/650520348.db2.gz SPFRIYNQGDHSQV-UHFFFAOYSA-N 1 0 385.302 2.449 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2C)C[C@H]1[NH+](C)C ZINC000472601466 650521072 /nfs/dbraw/zinc/52/10/72/650521072.db2.gz YOGMPPMKAUHJCX-CHWSQXEVSA-N 1 0 393.372 2.424 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](CCO)CC1CC1 ZINC000510918057 650521078 /nfs/dbraw/zinc/52/10/78/650521078.db2.gz PBWYZZMHCSWGIW-NSHDSACASA-N 1 0 388.249 2.323 20 0 GEADRO O=S(=O)(NCC[NH2+]C1CCN(CC(F)F)CC1)c1ccc(F)cc1Cl ZINC000510961467 650521924 /nfs/dbraw/zinc/52/19/24/650521924.db2.gz WINGTKMMWCUCQA-UHFFFAOYSA-N 1 0 399.866 2.077 20 0 GEADRO C[C@H](CC(=O)N(C)C)[NH2+]CCOc1ccc(I)cc1 ZINC000511050571 650524130 /nfs/dbraw/zinc/52/41/30/650524130.db2.gz PJTURPRTOHQYCC-LLVKDONJSA-N 1 0 376.238 2.126 20 0 GEADRO Cc1cccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1I ZINC000473257592 650525669 /nfs/dbraw/zinc/52/56/69/650525669.db2.gz XRZNHOORGKZQPC-HNNXBMFYSA-N 1 0 390.265 2.032 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCc1cc(F)ccc1Br ZINC000473256391 650525772 /nfs/dbraw/zinc/52/57/72/650525772.db2.gz SWVOPTUUQOEHCG-MRXNPFEDSA-N 1 0 375.282 2.340 20 0 GEADRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(Br)cn1)[NH+](C)C ZINC000473958840 650525774 /nfs/dbraw/zinc/52/57/74/650525774.db2.gz VBQHIYYQUFLJOY-CYBMUJFWSA-N 1 0 378.336 2.489 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000474085010 650526868 /nfs/dbraw/zinc/52/68/68/650526868.db2.gz WBEYGDPSSQBYAC-CQSZACIVSA-N 1 0 380.432 2.403 20 0 GEADRO CCO[C@@H]1C[C@@H]([N@H+](C)CCNS(=O)(=O)CCCOC)C12CCCCC2 ZINC000475352464 650532160 /nfs/dbraw/zinc/53/21/60/650532160.db2.gz DFAFIKLEMFPBAD-IAGOWNOFSA-N 1 0 376.563 2.002 20 0 GEADRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000511455100 650537502 /nfs/dbraw/zinc/53/75/02/650537502.db2.gz RCMCHQLQDBCRQI-PIMMBPRGSA-N 1 0 376.831 2.362 20 0 GEADRO CN1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)C1=O ZINC000511575039 650538897 /nfs/dbraw/zinc/53/88/97/650538897.db2.gz MFYLDXDMRQEVMN-WCQYABFASA-N 1 0 391.693 2.005 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000511590528 650539177 /nfs/dbraw/zinc/53/91/77/650539177.db2.gz CECVAHLEIMGROH-NWDGAFQWSA-N 1 0 377.409 2.462 20 0 GEADRO C[C@@](CO)([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000511606802 650539713 /nfs/dbraw/zinc/53/97/13/650539713.db2.gz XVVZXRRVCRXCTA-AWEZNQCLSA-N 1 0 376.316 2.071 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000511714201 650541259 /nfs/dbraw/zinc/54/12/59/650541259.db2.gz LCCHDRIXNQFWOM-MRVPVSSYSA-N 1 0 388.212 2.019 20 0 GEADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000476327425 650548581 /nfs/dbraw/zinc/54/85/81/650548581.db2.gz NVHQSKPCXQODJA-UHFFFAOYSA-N 1 0 383.539 2.418 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCSCC2)[C@@H]1c1cccs1 ZINC000512613946 650551528 /nfs/dbraw/zinc/55/15/28/650551528.db2.gz UMZLUMYICVVZSW-GOEBONIOSA-N 1 0 381.567 2.213 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000512309936 650546003 /nfs/dbraw/zinc/54/60/03/650546003.db2.gz OGTCLFHVIPRKQG-CYBMUJFWSA-N 1 0 398.345 2.379 20 0 GEADRO CC(C)N(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512185719 650546159 /nfs/dbraw/zinc/54/61/59/650546159.db2.gz RTDPGGSKBSKQMF-OAHLLOKOSA-N 1 0 379.448 2.454 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000512860609 650555427 /nfs/dbraw/zinc/55/54/27/650555427.db2.gz JXDLJUMSRRBQRP-DZGCQCFKSA-N 1 0 388.917 2.309 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000512988510 650555816 /nfs/dbraw/zinc/55/58/16/650555816.db2.gz JFRCBXMGDMVLKB-CQSZACIVSA-N 1 0 391.331 2.361 20 0 GEADRO CSc1cc2c(cc1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)OCCO2 ZINC000512994375 650556043 /nfs/dbraw/zinc/55/60/43/650556043.db2.gz ZLRSKHDQTMQIKR-AWEZNQCLSA-N 1 0 386.539 2.083 20 0 GEADRO CSc1nsc(NC(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)n1 ZINC000476626788 650556069 /nfs/dbraw/zinc/55/60/69/650556069.db2.gz FQMLCFVVWPXFPU-LLVKDONJSA-N 1 0 383.499 2.205 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000513059273 650557216 /nfs/dbraw/zinc/55/72/16/650557216.db2.gz VOGRLCBHWWJBLU-OLZOCXBDSA-N 1 0 391.331 2.193 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)[N@H+]1C ZINC000513088632 650557678 /nfs/dbraw/zinc/55/76/78/650557678.db2.gz KMRPHPJLAADHDX-DVOMOZLQSA-N 1 0 394.313 2.353 20 0 GEADRO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCCC1)c1ccc(Br)cc1 ZINC000513124018 650558059 /nfs/dbraw/zinc/55/80/59/650558059.db2.gz YNJRPVCQGBVHBA-KRWDZBQOSA-N 1 0 383.286 2.439 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000477163856 650570267 /nfs/dbraw/zinc/57/02/67/650570267.db2.gz PAAUQOGZHZYDND-KBPBESRZSA-N 1 0 396.329 2.463 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000477029975 650566696 /nfs/dbraw/zinc/56/66/96/650566696.db2.gz DBQYAHRFPUGEDO-NSHDSACASA-N 1 0 390.347 2.316 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)NCC1CC[NH2+]CC1 ZINC000514663302 650575974 /nfs/dbraw/zinc/57/59/74/650575974.db2.gz KVQKKGSJAUCDER-GFCCVEGCSA-N 1 0 376.284 2.032 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCCS1)c1ccc(Cl)cc1 ZINC000514809425 650580041 /nfs/dbraw/zinc/58/00/41/650580041.db2.gz DYBUFLYHMIVPRD-CRAIPNDOSA-N 1 0 383.945 2.461 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)COc1ccc(I)cc1 ZINC000514855498 650580904 /nfs/dbraw/zinc/58/09/04/650580904.db2.gz GWWLVVAABUMPEL-ZETOZRRWSA-N 1 0 388.249 2.173 20 0 GEADRO O[C@H](C[NH2+]CCCN1CCC(O)CC1)COc1ccc(Cl)cc1Cl ZINC000514861658 650581550 /nfs/dbraw/zinc/58/15/50/650581550.db2.gz NOEYYKTZHKEHQS-OAHLLOKOSA-N 1 0 377.312 2.170 20 0 GEADRO O=C(CCc1cc(Br)ccc1F)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000514871339 650581940 /nfs/dbraw/zinc/58/19/40/650581940.db2.gz HBXFSVYDLAVSCD-KRWDZBQOSA-N 1 0 385.277 2.094 20 0 GEADRO O=C(CCc1cc(Br)ccc1F)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000514871340 650581990 /nfs/dbraw/zinc/58/19/90/650581990.db2.gz HBXFSVYDLAVSCD-QGZVFWFLSA-N 1 0 385.277 2.094 20 0 GEADRO C[N@H+](CC(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F)[C@@H]1CCSC1 ZINC000478138450 650583398 /nfs/dbraw/zinc/58/33/98/650583398.db2.gz CHFZRYYTCBJYSJ-YPMHNXCESA-N 1 0 378.416 2.172 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000514946184 650584188 /nfs/dbraw/zinc/58/41/88/650584188.db2.gz CLNMNMXJNDFZBI-HNNXBMFYSA-N 1 0 398.345 2.412 20 0 GEADRO CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)CCC2 ZINC000515013490 650584545 /nfs/dbraw/zinc/58/45/45/650584545.db2.gz GIADIUKTXIUZCM-UONOGXRCSA-N 1 0 386.587 2.333 20 0 GEADRO CS[C@H]1CN(C(=O)CSCC(=O)Nc2cccc(C)c2)C[C@@H]1[NH+](C)C ZINC000478452387 650585887 /nfs/dbraw/zinc/58/58/87/650585887.db2.gz ARXDGHRFYAIOAQ-HOTGVXAUSA-N 1 0 381.567 2.171 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(c3ncnc4cccc(I)c43)C[C@H]12 ZINC000515146443 650587710 /nfs/dbraw/zinc/58/77/10/650587710.db2.gz QJGOESBTNXORSR-JFGNBEQYSA-N 1 0 380.233 2.408 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000515223007 650589795 /nfs/dbraw/zinc/58/97/95/650589795.db2.gz JZFDXRHWCJCSOJ-IHRRRGAJSA-N 1 0 399.308 2.037 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000515234711 650590282 /nfs/dbraw/zinc/59/02/82/650590282.db2.gz MTGQYEFSTPMEGA-CYBMUJFWSA-N 1 0 387.274 2.181 20 0 GEADRO COC(=O)COc1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000515254927 650590471 /nfs/dbraw/zinc/59/04/71/650590471.db2.gz ZBZOLIXTUKKQHJ-UHFFFAOYSA-N 1 0 382.258 2.329 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000515342111 650592000 /nfs/dbraw/zinc/59/20/00/650592000.db2.gz UXHOIWUUQUEQBV-HNNXBMFYSA-N 1 0 386.334 2.287 20 0 GEADRO C[C@H](NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ncc(Br)cn1 ZINC000515621118 650593120 /nfs/dbraw/zinc/59/31/20/650593120.db2.gz YOQJQWODKJOXTN-RWMBFGLXSA-N 1 0 382.306 2.331 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000479221513 650599508 /nfs/dbraw/zinc/59/95/08/650599508.db2.gz GGPDZFQMJUEWHV-QGZVFWFLSA-N 1 0 385.295 2.383 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000515845495 650594843 /nfs/dbraw/zinc/59/48/43/650594843.db2.gz IAUXIMKLPFYTAC-NKWVEPMBSA-N 1 0 380.645 2.422 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479064745 650595584 /nfs/dbraw/zinc/59/55/84/650595584.db2.gz QUUVZRXMHLYMGP-MWLCHTKSSA-N 1 0 397.324 2.079 20 0 GEADRO O=C(CCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Nc1ccc(Br)cc1 ZINC000516261504 650596189 /nfs/dbraw/zinc/59/61/89/650596189.db2.gz KEVORGBSQGGTAT-OLZOCXBDSA-N 1 0 395.301 2.029 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000517038256 650601967 /nfs/dbraw/zinc/60/19/67/650601967.db2.gz QNWXTDNNZPTFHZ-LUKYLMHMSA-N 1 0 384.929 2.115 20 0 GEADRO C[C@@H]([NH2+]CCc1cnccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479411641 650603044 /nfs/dbraw/zinc/60/30/44/650603044.db2.gz UEIQKOHKZKPZBY-SECBINFHSA-N 1 0 375.281 2.324 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000518499247 650604857 /nfs/dbraw/zinc/60/48/57/650604857.db2.gz XRWVMYBGUBVRBA-AWEZNQCLSA-N 1 0 379.917 2.166 20 0 GEADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)[C@H]1CCCO1 ZINC000518413304 650604871 /nfs/dbraw/zinc/60/48/71/650604871.db2.gz WUVSLMZPRQIWNE-TZMCWYRMSA-N 1 0 391.331 2.275 20 0 GEADRO C[C@@]1(CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000518756625 650607282 /nfs/dbraw/zinc/60/72/82/650607282.db2.gz VRRLPHCDNUGYMU-QGZVFWFLSA-N 1 0 397.317 2.467 20 0 GEADRO CC[C@@H](C)NC(=O)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000519637748 650610548 /nfs/dbraw/zinc/61/05/48/650610548.db2.gz KBPFCNUHIZRROM-GFCCVEGCSA-N 1 0 391.331 2.117 20 0 GEADRO CCC[NH2+][C@@H](C)C(=O)NCCOc1ccc(I)cc1 ZINC000519710505 650611142 /nfs/dbraw/zinc/61/11/42/650611142.db2.gz HCMZLLFFRCAUKU-NSHDSACASA-N 1 0 376.238 2.174 20 0 GEADRO CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)C1(C)C ZINC000519733789 650612143 /nfs/dbraw/zinc/61/21/43/650612143.db2.gz WZCHYUOILXRNRT-YESZJQIVSA-N 1 0 375.579 2.077 20 0 GEADRO O=C(NCc1ccc(Br)cc1Cl)NC[C@@H]1C[NH2+]CCCO1 ZINC000519808593 650613193 /nfs/dbraw/zinc/61/31/93/650613193.db2.gz INVAJVLGANQMEX-LBPRGKRZSA-N 1 0 376.682 2.280 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000479964660 650613465 /nfs/dbraw/zinc/61/34/65/650613465.db2.gz IZONFMURJFPSGG-KBPBESRZSA-N 1 0 396.329 2.416 20 0 GEADRO CN(C1CC[NH+](CCOc2ccc(Br)cc2)CC1)S(C)(=O)=O ZINC000480025047 650614913 /nfs/dbraw/zinc/61/49/13/650614913.db2.gz VRVAUBWOVDEQLL-UHFFFAOYSA-N 1 0 391.331 2.184 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCc2ccc(Br)cc2)C[C@H](C)O1 ZINC000520747178 650616230 /nfs/dbraw/zinc/61/62/30/650616230.db2.gz OORPUVZXPJPKTA-DAYGRLMNSA-N 1 0 385.346 2.394 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000521695456 650618843 /nfs/dbraw/zinc/61/88/43/650618843.db2.gz STUDOLPZDJTSOC-UHFFFAOYSA-N 1 0 376.469 2.480 20 0 GEADRO COCCOCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480331606 650619845 /nfs/dbraw/zinc/61/98/45/650619845.db2.gz JCUYLLYDUCLMSW-CQSZACIVSA-N 1 0 392.315 2.310 20 0 GEADRO CC[NH+]1CCN(CC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC1 ZINC000480440023 650621933 /nfs/dbraw/zinc/62/19/33/650621933.db2.gz APKBMNXEOKXDNT-WMZOPIPTSA-N 1 0 386.323 2.047 20 0 GEADRO C[C@@H]1C[N@H+](C)CCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000522069719 650621977 /nfs/dbraw/zinc/62/19/77/650621977.db2.gz CFKAOMPGIQABMF-DGCLKSJQSA-N 1 0 377.710 2.478 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000522167655 650623107 /nfs/dbraw/zinc/62/31/07/650623107.db2.gz VKDUIXGRAABHFZ-LLVKDONJSA-N 1 0 388.331 2.087 20 0 GEADRO Cn1ncc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Br)c1=O ZINC000480574585 650624743 /nfs/dbraw/zinc/62/47/43/650624743.db2.gz HVDZPPSHQKFMNN-GASCZTMLSA-N 1 0 389.297 2.111 20 0 GEADRO CC[N@H+](CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000522422720 650625202 /nfs/dbraw/zinc/62/52/02/650625202.db2.gz BJBOHFQYWKHLGT-MRXNPFEDSA-N 1 0 394.313 2.403 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCn1cc(Br)ccc1=O ZINC000522693168 650626819 /nfs/dbraw/zinc/62/68/19/650626819.db2.gz KYPDEVILUCBCFJ-UKRRQHHQSA-N 1 0 382.302 2.086 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000480731393 650629850 /nfs/dbraw/zinc/62/98/50/650629850.db2.gz BSPYQOSSKNNLRG-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO CS[C@@H](CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(C)(C)C ZINC000480884266 650636659 /nfs/dbraw/zinc/63/66/59/650636659.db2.gz WQPBOXKHFDWJCR-AWEZNQCLSA-N 1 0 376.592 2.118 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(Br)c(F)c2)CCSC1 ZINC000481391466 650645858 /nfs/dbraw/zinc/64/58/58/650645858.db2.gz HUMLZNSMDYCVCC-ZDUSSCGKSA-N 1 0 397.335 2.304 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000525293197 650652980 /nfs/dbraw/zinc/65/29/80/650652980.db2.gz CRQNQWPQICCLNH-BBRMVZONSA-N 1 0 394.313 2.260 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000481574653 650649592 /nfs/dbraw/zinc/64/95/92/650649592.db2.gz XAIJNXGQZLZMJE-QGZVFWFLSA-N 1 0 396.304 2.469 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000525088433 650649602 /nfs/dbraw/zinc/64/96/02/650649602.db2.gz KPAQZDCXHYPWBQ-UHFFFAOYSA-N 1 0 383.286 2.309 20 0 GEADRO Cc1c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000525174509 650650755 /nfs/dbraw/zinc/65/07/55/650650755.db2.gz JZAGGXIYVDCIFJ-AWEZNQCLSA-N 1 0 382.917 2.454 20 0 GEADRO O[C@H](C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)CN1CCOCC1 ZINC000481748656 650652234 /nfs/dbraw/zinc/65/22/34/650652234.db2.gz UZXJZHMTFAPZFX-SJORKVTESA-N 1 0 387.293 2.322 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000525951787 650661255 /nfs/dbraw/zinc/66/12/55/650661255.db2.gz OZXIOJSBTNRWPR-CYBMUJFWSA-N 1 0 377.432 2.453 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000526036910 650663437 /nfs/dbraw/zinc/66/34/37/650663437.db2.gz IFSQFFSZAKRNBT-UHFFFAOYSA-N 1 0 384.293 2.110 20 0 GEADRO C[NH+](C)Cc1ccnc(NC(=O)CCn2cc(Br)ccc2=O)c1 ZINC000482348049 650664559 /nfs/dbraw/zinc/66/45/59/650664559.db2.gz YPXUMYNDEZJRMP-UHFFFAOYSA-N 1 0 379.258 2.096 20 0 GEADRO CN(CCC(=O)NCCCCn1cc(Br)cn1)c1cc[nH+]cc1 ZINC000527185542 650670415 /nfs/dbraw/zinc/67/04/15/650670415.db2.gz WYIFXACOIQYLIO-UHFFFAOYSA-N 1 0 380.290 2.464 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000527308497 650672629 /nfs/dbraw/zinc/67/26/29/650672629.db2.gz IVDMUABEBCTSIN-UHFFFAOYSA-N 1 0 391.331 2.023 20 0 GEADRO Cc1nccc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000527339051 650673985 /nfs/dbraw/zinc/67/39/85/650673985.db2.gz LPGPRULRPZUZBC-CYBMUJFWSA-N 1 0 385.306 2.053 20 0 GEADRO CCCC[C@@](C)([NH2+]CC(=O)N1CCNC(=O)C1)c1cccc(Br)c1 ZINC000483054907 650674135 /nfs/dbraw/zinc/67/41/35/650674135.db2.gz ACCXAAMQYFPQCP-GOSISDBHSA-N 1 0 396.329 2.403 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cn1 ZINC000527956680 650683498 /nfs/dbraw/zinc/68/34/98/650683498.db2.gz RAPSYBLXIHXKIB-SUMWQHHRSA-N 1 0 384.318 2.111 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cccc(Br)c1F ZINC000527752479 650681960 /nfs/dbraw/zinc/68/19/60/650681960.db2.gz HCOVLEHVUSQSBW-KRWDZBQOSA-N 1 0 387.293 2.294 20 0 GEADRO O[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@H]1CCCO1 ZINC000527754647 650682308 /nfs/dbraw/zinc/68/23/08/650682308.db2.gz FHHYLVCTUWFNCR-NWDGAFQWSA-N 1 0 383.176 2.199 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527756241 650682362 /nfs/dbraw/zinc/68/23/62/650682362.db2.gz YFRHGFOOHDGOPH-SFHVURJKSA-N 1 0 399.329 2.163 20 0 GEADRO COc1ccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c(Br)c1 ZINC000527755982 650682474 /nfs/dbraw/zinc/68/24/74/650682474.db2.gz ZSGINMNYFBPUEW-GOSISDBHSA-N 1 0 399.329 2.163 20 0 GEADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000484636441 650688080 /nfs/dbraw/zinc/68/80/80/650688080.db2.gz GRMZHMJWVJULFE-JKSUJKDBSA-N 1 0 385.302 2.191 20 0 GEADRO CS[C@@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000484631637 650688196 /nfs/dbraw/zinc/68/81/96/650688196.db2.gz ZZFQGWVPDDIEGI-BZUAXINKSA-N 1 0 398.370 2.487 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000528312253 650688441 /nfs/dbraw/zinc/68/84/41/650688441.db2.gz ZZUAQKIISMRYSM-NSHDSACASA-N 1 0 382.452 2.228 20 0 GEADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000484646313 650688504 /nfs/dbraw/zinc/68/85/04/650688504.db2.gz IQYMJDPWISWDSW-KBPBESRZSA-N 1 0 375.238 2.310 20 0 GEADRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000484646315 650688547 /nfs/dbraw/zinc/68/85/47/650688547.db2.gz IQYMJDPWISWDSW-KGLIPLIRSA-N 1 0 375.238 2.310 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000528349295 650689950 /nfs/dbraw/zinc/68/99/50/650689950.db2.gz MDIVILUMSBAKMA-NSHDSACASA-N 1 0 382.404 2.309 20 0 GEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@]3(C)Br)cc2)CC1 ZINC000527973052 650683956 /nfs/dbraw/zinc/68/39/56/650683956.db2.gz HCPPHULRUICRQK-WMZOPIPTSA-N 1 0 380.330 2.224 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(Cl)cc21 ZINC000528354073 650690242 /nfs/dbraw/zinc/69/02/42/650690242.db2.gz WHPKUJYUSNZWOT-UHFFFAOYSA-N 1 0 387.933 2.210 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]3(C)Br)cn2)CC1 ZINC000528015178 650684321 /nfs/dbraw/zinc/68/43/21/650684321.db2.gz HXXHXLJQWCFTJF-RHSMWYFYSA-N 1 0 381.318 2.013 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)c(Cl)cc21 ZINC000528046420 650684723 /nfs/dbraw/zinc/68/47/23/650684723.db2.gz ICLADPSSYJYKTL-GXTWGEPZSA-N 1 0 385.917 2.045 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484112423 650685214 /nfs/dbraw/zinc/68/52/14/650685214.db2.gz HKMPMRAOZYIMDO-ZENOOKHLSA-N 1 0 396.329 2.399 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000484112419 650685231 /nfs/dbraw/zinc/68/52/31/650685231.db2.gz HKMPMRAOZYIMDO-WWGRRREGSA-N 1 0 396.329 2.399 20 0 GEADRO CC(C)[C@@H]1CN(c2ncc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000528124759 650685660 /nfs/dbraw/zinc/68/56/60/650685660.db2.gz HBVQLEUTSHMLFW-HNNXBMFYSA-N 1 0 380.539 2.137 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000484243384 650686392 /nfs/dbraw/zinc/68/63/92/650686392.db2.gz FAJYVCWEGSCYPA-UHFFFAOYSA-N 1 0 398.276 2.032 20 0 GEADRO C[N@H+](CCN1CCN(C(=O)[C@@H]2C[C@@]2(C)Br)CC1)Cc1ccccc1 ZINC000528420616 650693075 /nfs/dbraw/zinc/69/30/75/650693075.db2.gz LLGYZKQBVILIBK-PKOBYXMFSA-N 1 0 394.357 2.436 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000528690280 650698095 /nfs/dbraw/zinc/69/80/95/650698095.db2.gz OGTBUMWPYJFQKB-SECBINFHSA-N 1 0 398.179 2.458 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000528450680 650694139 /nfs/dbraw/zinc/69/41/39/650694139.db2.gz JHAXSZYVYQYMSZ-AWEZNQCLSA-N 1 0 376.404 2.027 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000528464790 650694598 /nfs/dbraw/zinc/69/45/98/650694598.db2.gz GBQCFDREFINWDD-INIZCTEOSA-N 1 0 396.329 2.397 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)[C@H]1SC ZINC000485324508 650695206 /nfs/dbraw/zinc/69/52/06/650695206.db2.gz WIBPDJFMMGUMJQ-RBSFLKMASA-N 1 0 378.947 2.117 20 0 GEADRO COc1nc(C)c(Br)cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000485468686 650696920 /nfs/dbraw/zinc/69/69/20/650696920.db2.gz SXRPTUCAPMZDTQ-HNNXBMFYSA-N 1 0 388.331 2.328 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1cc(F)c(Br)cc1F ZINC000528632991 650697096 /nfs/dbraw/zinc/69/70/96/650697096.db2.gz IARROFYAACSLHX-WDEREUQCSA-N 1 0 379.245 2.071 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1)C1CC1 ZINC000485566950 650697267 /nfs/dbraw/zinc/69/72/67/650697267.db2.gz JSIONBPMXFCOLX-INIZCTEOSA-N 1 0 394.313 2.323 20 0 GEADRO C[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Oc1ccc(Br)cc1 ZINC000485791473 650700319 /nfs/dbraw/zinc/70/03/19/650700319.db2.gz HVTDGNAUPMSBNI-NEPJUHHUSA-N 1 0 393.285 2.446 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000485831748 650701245 /nfs/dbraw/zinc/70/12/45/650701245.db2.gz VZJRZSAQYVONLI-DOMZBBRYSA-N 1 0 384.307 2.476 20 0 GEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1C[C@]1(C)Br ZINC000529355006 650703532 /nfs/dbraw/zinc/70/35/32/650703532.db2.gz CAJVFEUYJVZHOG-MJGOQNOKSA-N 1 0 394.357 2.436 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N(CCO)Cc1cccc(Br)c1 ZINC000529351576 650703586 /nfs/dbraw/zinc/70/35/86/650703586.db2.gz IGQXGRGMDKKYSH-HNNXBMFYSA-N 1 0 382.302 2.238 20 0 GEADRO CC(C)NS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000485979801 650704233 /nfs/dbraw/zinc/70/42/33/650704233.db2.gz FIMRYGGITCWPJS-UHFFFAOYSA-N 1 0 378.336 2.056 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000486000689 650704903 /nfs/dbraw/zinc/70/49/03/650704903.db2.gz HEHFAFLAFMGAII-RISCZKNCSA-N 1 0 378.274 2.225 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)Cc2ccc(F)cc2Br)CC1 ZINC000486213001 650709122 /nfs/dbraw/zinc/70/91/22/650709122.db2.gz WQKXMAHOEMJOCE-OAHLLOKOSA-N 1 0 387.293 2.340 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cnn2cc(Br)cnc12 ZINC000530022027 650710740 /nfs/dbraw/zinc/71/07/40/650710740.db2.gz BXSWGMITEKCYFW-ZDUSSCGKSA-N 1 0 378.274 2.239 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1Cl ZINC000530024412 650710846 /nfs/dbraw/zinc/71/08/46/650710846.db2.gz MBKZHWASLNIHRR-AWEZNQCLSA-N 1 0 385.917 2.458 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000486536504 650714662 /nfs/dbraw/zinc/71/46/62/650714662.db2.gz KPERIPRQSSBCJU-NSHDSACASA-N 1 0 375.336 2.491 20 0 GEADRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000530220793 650718687 /nfs/dbraw/zinc/71/86/87/650718687.db2.gz BMTGSPOLHZTDFN-UHFFFAOYSA-N 1 0 377.539 2.014 20 0 GEADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239018 650718986 /nfs/dbraw/zinc/71/89/86/650718986.db2.gz CACKTOMXNPYCPX-DLBZAZTESA-N 1 0 396.329 2.066 20 0 GEADRO C[C@](O)(C[NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(Br)cc1Cl ZINC000530237957 650719110 /nfs/dbraw/zinc/71/91/10/650719110.db2.gz HROBKCXCSNOKOJ-KKUMJFAQSA-N 1 0 378.694 2.440 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Br)c(F)c3)[C@H]2C1 ZINC000486685897 650719302 /nfs/dbraw/zinc/71/93/02/650719302.db2.gz QIUDCZZJRHZKGZ-YGRLFVJLSA-N 1 0 377.279 2.303 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000486701185 650719575 /nfs/dbraw/zinc/71/95/75/650719575.db2.gz KJNDMBFBCQDDLM-PBHICJAKSA-N 1 0 380.330 2.291 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000530577368 650727080 /nfs/dbraw/zinc/72/70/80/650727080.db2.gz PGCRFQOOLFNKGE-IRXDYDNUSA-N 1 0 380.330 2.449 20 0 GEADRO CC[N@H+](CC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000487232884 650731216 /nfs/dbraw/zinc/73/12/16/650731216.db2.gz KPMLHKXILHHXER-OAHLLOKOSA-N 1 0 380.286 2.155 20 0 GEADRO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000531003604 650732943 /nfs/dbraw/zinc/73/29/43/650732943.db2.gz ABPDMLJIPCWCKA-NSHDSACASA-N 1 0 382.258 2.214 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000487585107 650735935 /nfs/dbraw/zinc/73/59/35/650735935.db2.gz DNUOKMVEXMZELJ-MLGOLLRUSA-N 1 0 392.301 2.186 20 0 GEADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)c1cccs1 ZINC000531190184 650736050 /nfs/dbraw/zinc/73/60/50/650736050.db2.gz ZDRHRTWTVHSBEN-CABCVRRESA-N 1 0 387.571 2.043 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1occc1Br ZINC000531432202 650738404 /nfs/dbraw/zinc/73/84/04/650738404.db2.gz PNBKJXBJHBQAFX-UHFFFAOYSA-N 1 0 375.263 2.388 20 0 GEADRO COC1CC[NH+](C2(CNS(=O)(=O)c3sc(C)nc3C)CCCC2)CC1 ZINC000531434165 650738424 /nfs/dbraw/zinc/73/84/24/650738424.db2.gz OIFVTMDREKFMHW-UHFFFAOYSA-N 1 0 387.571 2.462 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000531483670 650739205 /nfs/dbraw/zinc/73/92/05/650739205.db2.gz NKECTKLEUHCIAY-AWEZNQCLSA-N 1 0 382.448 2.482 20 0 GEADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000531651213 650741859 /nfs/dbraw/zinc/74/18/59/650741859.db2.gz CGGWKDRSPOQOLY-DLBZAZTESA-N 1 0 375.579 2.063 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Sc1ccc(Br)cc1 ZINC000488310039 650744363 /nfs/dbraw/zinc/74/43/63/650744363.db2.gz HOMXSMVCNQBBLQ-CJNGLKHVSA-N 1 0 398.370 2.436 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488188471 650742307 /nfs/dbraw/zinc/74/23/07/650742307.db2.gz WNWUVTWKDWKWFJ-OAHLLOKOSA-N 1 0 388.281 2.407 20 0 GEADRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCOCC1 ZINC000531681758 650742868 /nfs/dbraw/zinc/74/28/68/650742868.db2.gz IKIQVLGBHXDPBB-MRXNPFEDSA-N 1 0 388.555 2.064 20 0 GEADRO CC[NH+](CC)CCN(C(=S)Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000011047312 642366014 /nfs/dbraw/zinc/36/60/14/642366014.db2.gz UBGFEIQWGLKPOW-AWEZNQCLSA-N 1 0 387.546 2.353 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000532232832 650746608 /nfs/dbraw/zinc/74/66/08/650746608.db2.gz HRYTXHRPPKBXBM-LLVKDONJSA-N 1 0 391.269 2.450 20 0 GEADRO CN(Cc1cccc(Cl)c1Cl)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000020632497 642398070 /nfs/dbraw/zinc/39/80/70/642398070.db2.gz LVKGRQZYLHFTKG-UHFFFAOYSA-N 1 0 385.295 2.399 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCNC(=O)c2cnccn2)cc1Br ZINC000532494064 650748912 /nfs/dbraw/zinc/74/89/12/650748912.db2.gz KJTZXKLOBAMRQV-NSHDSACASA-N 1 0 379.258 2.328 20 0 GEADRO COC(=O)[C@@H](C)C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000532549575 650750007 /nfs/dbraw/zinc/75/00/07/650750007.db2.gz XVSOOFGYXYCDEQ-NSHDSACASA-N 1 0 394.269 2.231 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CCn1cnc2sccc2c1=O)c1cccs1 ZINC000025385734 642422204 /nfs/dbraw/zinc/42/22/04/642422204.db2.gz NYJCAHCWFPFVNO-CYBMUJFWSA-N 1 0 376.507 2.329 20 0 GEADRO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000488816089 650750989 /nfs/dbraw/zinc/75/09/89/650750989.db2.gz KXNACOSXHLIDKB-CYBMUJFWSA-N 1 0 383.286 2.252 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cnn(CC(F)(F)F)c2)c(C)s1 ZINC000533253718 650758862 /nfs/dbraw/zinc/75/88/62/650758862.db2.gz RYYDMIMUAYTXOD-UHFFFAOYSA-N 1 0 396.460 2.192 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000038083411 642516834 /nfs/dbraw/zinc/51/68/34/642516834.db2.gz OXTOCGLQIYCPFB-GHMZBOCLSA-N 1 0 379.263 2.377 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000041362846 642529250 /nfs/dbraw/zinc/52/92/50/642529250.db2.gz JZGKYMDLILMWOD-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C[NH+](C)C ZINC000490062470 650767556 /nfs/dbraw/zinc/76/75/56/650767556.db2.gz ZWVDGYVQYVBGHI-KBPBESRZSA-N 1 0 390.933 2.231 20 0 GEADRO Cc1cc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)ccc1Br ZINC000533847280 650766683 /nfs/dbraw/zinc/76/66/83/650766683.db2.gz HWCYJSKLBJLXGG-UHFFFAOYSA-N 1 0 396.329 2.430 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cn1 ZINC000490040546 650766780 /nfs/dbraw/zinc/76/67/80/650766780.db2.gz XPGYECVPBQRQFM-GFCCVEGCSA-N 1 0 386.905 2.010 20 0 GEADRO CC[NH+]1CCN(CC(=O)N(C)Cc2cc(Br)ccc2OC)CC1 ZINC000533296592 650759663 /nfs/dbraw/zinc/75/96/63/650759663.db2.gz KLDNGGOERBRHJC-UHFFFAOYSA-N 1 0 384.318 2.054 20 0 GEADRO CC[C@@H](CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)[NH+]1CCCC1 ZINC000042227134 642545923 /nfs/dbraw/zinc/54/59/23/642545923.db2.gz VQZCMWXFHVLYMQ-LSDHHAIUSA-N 1 0 388.965 2.169 20 0 GEADRO C[NH+](C)CCNC(=S)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000042788746 642556910 /nfs/dbraw/zinc/55/69/10/642556910.db2.gz PNWYOCVUSJMTEI-UHFFFAOYSA-N 1 0 378.523 2.335 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490054897 650767142 /nfs/dbraw/zinc/76/71/42/650767142.db2.gz OWGXCWRHJWDCCZ-VIFPVBQESA-N 1 0 383.297 2.256 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000044362772 642576886 /nfs/dbraw/zinc/57/68/86/642576886.db2.gz OEJWORSQSRYBJR-HNNXBMFYSA-N 1 0 398.345 2.231 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000533575111 650762889 /nfs/dbraw/zinc/76/28/89/650762889.db2.gz LEQLXBRQXZUQFX-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000045137155 642589745 /nfs/dbraw/zinc/58/97/45/642589745.db2.gz UINSDWSLZAQJGP-GFCCVEGCSA-N 1 0 382.302 2.258 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(CC)CCC[NH+](C)C)c1 ZINC000489800899 650763862 /nfs/dbraw/zinc/76/38/62/650763862.db2.gz YNYPPKHVOTUUQH-UHFFFAOYSA-N 1 0 376.906 2.479 20 0 GEADRO CC[NH+]1CCC(N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000045906707 642599783 /nfs/dbraw/zinc/59/97/83/642599783.db2.gz XDIISFOSFASZCY-UHFFFAOYSA-N 1 0 387.933 2.147 20 0 GEADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000046935700 642620405 /nfs/dbraw/zinc/62/04/05/642620405.db2.gz VSHUQEFHVIAHOS-QGZVFWFLSA-N 1 0 384.567 2.063 20 0 GEADRO COc1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c(Br)c1 ZINC000533994247 650767981 /nfs/dbraw/zinc/76/79/81/650767981.db2.gz LUYBMEMHBSDFGY-UHFFFAOYSA-N 1 0 385.302 2.377 20 0 GEADRO C[C@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)[NH+]1CCCC1 ZINC000534065250 650768736 /nfs/dbraw/zinc/76/87/36/650768736.db2.gz FCZHMPIUALMXKD-GFCCVEGCSA-N 1 0 378.274 2.244 20 0 GEADRO CCCC[N@H+](CCO)CC(=O)Nc1cccc(I)c1 ZINC000049800654 642671765 /nfs/dbraw/zinc/67/17/65/642671765.db2.gz RGWGUPFYGHLIHF-UHFFFAOYSA-N 1 0 376.238 2.324 20 0 GEADRO CC[NH+](CC)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000049934637 642672335 /nfs/dbraw/zinc/67/23/35/642672335.db2.gz PHITZJMXUWVCBR-UHFFFAOYSA-N 1 0 375.922 2.052 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)C2)C1 ZINC000490559956 650776190 /nfs/dbraw/zinc/77/61/90/650776190.db2.gz VRMSTVSHOHHVHM-AWEZNQCLSA-N 1 0 395.269 2.444 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Br)c(F)cc3F)C2)C1 ZINC000490611655 650777353 /nfs/dbraw/zinc/77/73/53/650777353.db2.gz XPPRPIRWKYBIOF-CQSZACIVSA-N 1 0 395.269 2.444 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)NCCc1ccc(I)s1 ZINC000490622019 650777530 /nfs/dbraw/zinc/77/75/30/650777530.db2.gz MNPFKBHBJROVCC-VIFPVBQESA-N 1 0 381.283 2.145 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3F)C2)C1 ZINC000490625532 650777609 /nfs/dbraw/zinc/77/76/09/650777609.db2.gz KTOITSOSNTXOFV-CQSZACIVSA-N 1 0 382.379 2.441 20 0 GEADRO CSCC[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1nnc2ccccn21 ZINC000534585122 650778132 /nfs/dbraw/zinc/77/81/32/650778132.db2.gz GUCKGXASGYMLPY-UONOGXRCSA-N 1 0 379.555 2.077 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000053688431 642736532 /nfs/dbraw/zinc/73/65/32/642736532.db2.gz CVSWNAOTUXSPFF-VXGBXAGGSA-N 1 0 376.954 2.417 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000053699030 642736539 /nfs/dbraw/zinc/73/65/39/642736539.db2.gz WRDOZMHDQLKNEA-CYBMUJFWSA-N 1 0 387.571 2.173 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000534737730 650780300 /nfs/dbraw/zinc/78/03/00/650780300.db2.gz QQWRKRANXUJYHP-CHWSQXEVSA-N 1 0 386.323 2.451 20 0 GEADRO CS[C@@H]1CN(C(=O)c2csc(I)c2)C[C@@H]1[NH+](C)C ZINC000534828329 650781045 /nfs/dbraw/zinc/78/10/45/650781045.db2.gz YKPOPQLJSRGCQL-VHSXEESVSA-N 1 0 396.319 2.470 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)Nc1cccc(I)c1 ZINC000535261454 650786447 /nfs/dbraw/zinc/78/64/47/650786447.db2.gz NZEORBOZWPONKS-UHFFFAOYSA-N 1 0 382.205 2.342 20 0 GEADRO C[C@H](CNC(=O)CN(C)C(=O)c1ccc(Br)o1)[NH+]1CCCCC1 ZINC000055936124 642785521 /nfs/dbraw/zinc/78/55/21/642785521.db2.gz DZSAHWTUKDIRKW-GFCCVEGCSA-N 1 0 386.290 2.105 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCCn1cncn1 ZINC000056997040 642799713 /nfs/dbraw/zinc/79/97/13/642799713.db2.gz MWEKKVNEXPUJDA-UHFFFAOYSA-N 1 0 394.317 2.411 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)cc2Br)C[C@H]1[NH+](C)C ZINC000535621539 650789404 /nfs/dbraw/zinc/78/94/04/650789404.db2.gz PHXHIQNWXLPGOK-OLZOCXBDSA-N 1 0 393.372 2.424 20 0 GEADRO C[NH+]1CCC(NC(=S)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000063142922 642853355 /nfs/dbraw/zinc/85/33/55/642853355.db2.gz RDUBXZURRSPCLD-UHFFFAOYSA-N 1 0 377.392 2.499 20 0 GEADRO C[NH+]1CCC(NC(=S)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000063143982 642853432 /nfs/dbraw/zinc/85/34/32/642853432.db2.gz WBYXYCVZOOHTEH-UHFFFAOYSA-N 1 0 375.325 2.490 20 0 GEADRO C[NH2+]CC1CCN(CC(=O)Nc2ccccc2I)CC1 ZINC000063165935 642853488 /nfs/dbraw/zinc/85/34/88/642853488.db2.gz SYAIJUCSLAYCLR-UHFFFAOYSA-N 1 0 387.265 2.161 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000063168847 642853501 /nfs/dbraw/zinc/85/35/01/642853501.db2.gz AQPAWWXBLJWLDK-CQSZACIVSA-N 1 0 375.332 2.297 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000535836042 650791378 /nfs/dbraw/zinc/79/13/78/650791378.db2.gz AKECXRAKVTWYDH-AWEZNQCLSA-N 1 0 392.297 2.180 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000063490109 642859345 /nfs/dbraw/zinc/85/93/45/642859345.db2.gz ZRYVGWJTVVNZGS-ZDUSSCGKSA-N 1 0 387.933 2.050 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000063822509 642862863 /nfs/dbraw/zinc/86/28/63/642862863.db2.gz UVTRZAPWTDRPFE-HUUCEWRRSA-N 1 0 387.571 2.043 20 0 GEADRO C[NH+](C)CCNC(=S)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000063794420 642863114 /nfs/dbraw/zinc/86/31/14/642863114.db2.gz 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381.929 2.197 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1Cl ZINC000537978093 650826439 /nfs/dbraw/zinc/82/64/39/650826439.db2.gz HHPDVHDEQMSUHF-HIFRSBDPSA-N 1 0 390.933 2.488 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(I)cc2)C1 ZINC000108338550 643271290 /nfs/dbraw/zinc/27/12/90/643271290.db2.gz AEPFSMFLSFRWND-LBPRGKRZSA-N 1 0 388.249 2.128 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108403726 643272864 /nfs/dbraw/zinc/27/28/64/643272864.db2.gz XXURQCJRXHJFJA-CYBMUJFWSA-N 1 0 375.897 2.230 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000108569016 643276805 /nfs/dbraw/zinc/27/68/05/643276805.db2.gz SKVZECIMVYSTDN-CYBMUJFWSA-N 1 0 397.317 2.337 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108618525 643279269 /nfs/dbraw/zinc/27/92/69/643279269.db2.gz JURLRRGYORKQOB-LBPRGKRZSA-N 1 0 384.249 2.127 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108618523 643279425 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GEADRO Cc1cc(I)ccc1NC(=O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000111784612 643346450 /nfs/dbraw/zinc/34/64/50/643346450.db2.gz HTHUNDLZRCAXQL-VXGBXAGGSA-N 1 0 387.265 2.220 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000112297220 643358604 /nfs/dbraw/zinc/35/86/04/643358604.db2.gz KNAIHTMQCMRLPZ-OAHLLOKOSA-N 1 0 398.345 2.312 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000112403808 643361857 /nfs/dbraw/zinc/36/18/57/643361857.db2.gz URQGNSRMHYPBDF-LSDHHAIUSA-N 1 0 398.345 2.216 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c(Br)c1 ZINC000112550324 643365195 /nfs/dbraw/zinc/36/51/95/643365195.db2.gz GTFHWCDUGZSHTJ-NWDGAFQWSA-N 1 0 378.274 2.281 20 0 GEADRO CCOC(=O)CN(C)C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000112602547 643366319 /nfs/dbraw/zinc/36/63/19/643366319.db2.gz NSBFXHPVBPOTRN-UHFFFAOYSA-N 1 0 383.286 2.439 20 0 GEADRO CCS(=O)(=O)C[C@H](C)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000113607617 643401612 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Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000116178991 643454585 /nfs/dbraw/zinc/45/45/85/643454585.db2.gz HBOJLHVJGJBWGB-OAHLLOKOSA-N 1 0 382.551 2.307 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1nc2c(s1)CSCC2)[N@@H+]1CCCC[C@@H]1C ZINC000497915403 650841446 /nfs/dbraw/zinc/84/14/46/650841446.db2.gz FEVFSGKBBGIDLB-RYUDHWBXSA-N 1 0 382.555 2.250 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)C(C)(C)C ZINC000116466962 643464198 /nfs/dbraw/zinc/46/41/98/643464198.db2.gz SZNDQLIUOFNFPE-LBPRGKRZSA-N 1 0 388.306 2.255 20 0 GEADRO C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000116533811 643465106 /nfs/dbraw/zinc/46/51/06/643465106.db2.gz WCYNWDOWEWZJEX-CQSZACIVSA-N 1 0 394.313 2.260 20 0 GEADRO Cc1c([C@H](C)[NH2+]C[C@H](O)[C@H]2CCOC2)nnn1-c1cccc(Br)c1 ZINC000539074656 650841896 /nfs/dbraw/zinc/84/18/96/650841896.db2.gz XESAVNRWKWMDDL-RBOXIYTFSA-N 1 0 395.301 2.386 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)COC[C@@H]1CCOC1 ZINC000117669199 643494452 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O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccncc1I ZINC000119831660 643573578 /nfs/dbraw/zinc/57/35/78/643573578.db2.gz UAHXBPKJIRJQKN-LLVKDONJSA-N 1 0 385.249 2.433 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000119909377 643579043 /nfs/dbraw/zinc/57/90/43/643579043.db2.gz HXDDPORXKVCXJC-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO Cc1cccc(I)c1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000119950480 643581382 /nfs/dbraw/zinc/58/13/82/643581382.db2.gz DZUJKEJHZQEUPT-LBPRGKRZSA-N 1 0 388.249 2.002 20 0 GEADRO O=C(c1ccncc1I)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000119974726 643582969 /nfs/dbraw/zinc/58/29/69/643582969.db2.gz ATMPZXCNWWVFLK-LBPRGKRZSA-N 1 0 385.249 2.244 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)CCn1cc(Br)ccc1=O)c1ccccc1 ZINC000120112752 643592821 /nfs/dbraw/zinc/59/28/21/643592821.db2.gz GRWJTSBGTDONHR-INIZCTEOSA-N 1 0 392.297 2.420 20 0 GEADRO O=C1c2cc(Br)ccc2S(=O)(=O)N1CC[NH+]1CCCCCC1 ZINC000120283397 643597707 /nfs/dbraw/zinc/59/77/07/643597707.db2.gz NXAGXSOSFSQKDN-UHFFFAOYSA-N 1 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C[C@H](CNC(=O)NNC(=O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000123042725 643664467 /nfs/dbraw/zinc/66/44/67/643664467.db2.gz PNCIGEJZAPEIQK-GFCCVEGCSA-N 1 0 383.290 2.125 20 0 GEADRO CCCC[N@H+](CCO)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000123440135 643670272 /nfs/dbraw/zinc/67/02/72/643670272.db2.gz GVCBIEYJHGUNID-UHFFFAOYSA-N 1 0 389.327 2.131 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000540042995 650857808 /nfs/dbraw/zinc/85/78/08/650857808.db2.gz OJFNODFQAWPGKF-HUUCEWRRSA-N 1 0 398.345 2.311 20 0 GEADRO COc1ccc(CC[NH2+][C@H]2CCCc3nc(C)sc32)cc1S(N)(=O)=O ZINC000540164421 650858720 /nfs/dbraw/zinc/85/87/20/650858720.db2.gz UTMACYIKAMTBFT-ZDUSSCGKSA-N 1 0 381.523 2.317 20 0 GEADRO CC[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)[NH+](C)C ZINC000124873985 643691216 /nfs/dbraw/zinc/69/12/16/643691216.db2.gz JMBMRCNCDIKURT-AWEZNQCLSA-N 1 0 397.317 2.361 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000124926537 643694287 /nfs/dbraw/zinc/69/42/87/643694287.db2.gz PQRZQTLXGBOXDB-UHFFFAOYSA-N 1 0 378.274 2.101 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H]1C ZINC000498558008 650859555 /nfs/dbraw/zinc/85/95/55/650859555.db2.gz XRISCCUSNGKQEX-OLZOCXBDSA-N 1 0 382.302 2.120 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000125022496 643698533 /nfs/dbraw/zinc/69/85/33/643698533.db2.gz RTVOZMGNYRTLIT-GHMZBOCLSA-N 1 0 377.304 2.396 20 0 GEADRO COC(=O)c1nn(CN2CC[NH+](C3CCCC3)CC2)c(C)c1Br ZINC000125931244 643715999 /nfs/dbraw/zinc/71/59/99/643715999.db2.gz CIYCJCLOQZOVOS-UHFFFAOYSA-N 1 0 385.306 2.258 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(C)(C)C[NH+](C)C ZINC000126005922 643717888 /nfs/dbraw/zinc/71/78/88/643717888.db2.gz HWPCMFDJKLCNOO-NSHDSACASA-N 1 0 376.906 2.366 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)c(F)cc1Br ZINC000498690035 650862565 /nfs/dbraw/zinc/86/25/65/650862565.db2.gz WQAOAYJBRPXZKT-AWEZNQCLSA-N 1 0 386.265 2.292 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000126681739 643741518 /nfs/dbraw/zinc/74/15/18/643741518.db2.gz YGGCDDPBIJHNOI-CYBMUJFWSA-N 1 0 385.302 2.132 20 0 GEADRO CN1CCO[C@H]([C@H](NC(=O)CSc2nncs2)c2ccc(Cl)cc2)C1 ZINC000126728508 643744225 /nfs/dbraw/zinc/74/42/25/643744225.db2.gz PUMDLXHKNQQIHA-DZGCQCFKSA-N 1 0 398.941 2.472 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cncc(Br)c3)C2)CC1 ZINC000126736874 643744897 /nfs/dbraw/zinc/74/48/97/643744897.db2.gz PMSBCYDDEQFONH-OAHLLOKOSA-N 1 0 382.306 2.088 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000126866087 643749142 /nfs/dbraw/zinc/74/91/42/643749142.db2.gz AOYLLLJUZQEUAQ-ZDUSSCGKSA-N 1 0 385.917 2.269 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000498726872 650863447 /nfs/dbraw/zinc/86/34/47/650863447.db2.gz OLIOYMJVYSKILK-ZIAGYGMSSA-N 1 0 394.313 2.355 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)c1cc(I)cc(C(F)(F)F)c1 ZINC000127132852 643758586 /nfs/dbraw/zinc/75/85/86/643758586.db2.gz XYDHCWFSRWGQPJ-JTQLQIEISA-N 1 0 384.139 2.402 20 0 GEADRO CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000127196275 643762702 /nfs/dbraw/zinc/76/27/02/643762702.db2.gz VQNSXEMXWQAEMP-ZDUSSCGKSA-N 1 0 376.503 2.333 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000127247558 643765739 /nfs/dbraw/zinc/76/57/39/643765739.db2.gz VYFKCSNOQAGVLY-DOMZBBRYSA-N 1 0 390.311 2.437 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)[C@H](C)C1 ZINC000127356928 643772972 /nfs/dbraw/zinc/77/29/72/643772972.db2.gz UFUCKSXCWZOZSB-WBMJQRKESA-N 1 0 387.933 2.050 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000127500317 643777909 /nfs/dbraw/zinc/77/79/09/643777909.db2.gz QBMZCZUJNQLQMI-ZDUSSCGKSA-N 1 0 378.274 2.196 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000127500081 643778087 /nfs/dbraw/zinc/77/80/87/643778087.db2.gz QBMZCZUJNQLQMI-CYBMUJFWSA-N 1 0 378.274 2.196 20 0 GEADRO CC(C)(C)n1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000127750480 643783309 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C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000128975313 643816235 /nfs/dbraw/zinc/81/62/35/643816235.db2.gz AUYYVSUVJDRTJL-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO COCCN1[C@H](C)CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C ZINC000129581088 643823133 /nfs/dbraw/zinc/82/31/33/643823133.db2.gz KGXOWAMLJRZTSQ-OKILXGFUSA-N 1 0 376.469 2.224 20 0 GEADRO COC[C@H](O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000129652692 643826106 /nfs/dbraw/zinc/82/61/06/643826106.db2.gz POKNGTYYOVJHSC-YPMHNXCESA-N 1 0 377.222 2.102 20 0 GEADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000541036781 650869233 /nfs/dbraw/zinc/86/92/33/650869233.db2.gz ORCGUBHEZMXPFN-LRDDRELGSA-N 1 0 382.302 2.409 20 0 GEADRO CCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000130510197 643841800 /nfs/dbraw/zinc/84/18/00/643841800.db2.gz VNJLVXUXUJMQDG-GJZGRUSLSA-N 1 0 385.302 2.179 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1cccc(I)c1C ZINC000130809072 643852018 /nfs/dbraw/zinc/85/20/18/643852018.db2.gz 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C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000134776952 643906657 /nfs/dbraw/zinc/90/66/57/643906657.db2.gz PFRHKGVCWGZESI-AWEZNQCLSA-N 1 0 385.917 2.046 20 0 GEADRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000541331450 650874236 /nfs/dbraw/zinc/87/42/36/650874236.db2.gz LUTHGKVQNPMMPG-NSHDSACASA-N 1 0 382.258 2.231 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000499124726 650874311 /nfs/dbraw/zinc/87/43/11/650874311.db2.gz BLWQUELFOUEHFT-ZDUSSCGKSA-N 1 0 385.302 2.179 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(Br)n1 ZINC000137171789 643920792 /nfs/dbraw/zinc/92/07/92/643920792.db2.gz CNUHZOWOATUIKC-UHFFFAOYSA-N 1 0 377.242 2.257 20 0 GEADRO Cn1cc(Br)cc1C[N@H+](C)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000151616370 643949929 /nfs/dbraw/zinc/94/99/29/643949929.db2.gz WHWZCFSHVHQAHE-CQSZACIVSA-N 1 0 397.269 2.388 20 0 GEADRO CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C)[C@H](C)CS(=O)(=O)CC ZINC000151845478 643956437 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CC[NH+]1CCN(CCC(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000541985293 650884803 /nfs/dbraw/zinc/88/48/03/650884803.db2.gz VHGCWTCAMZNVPQ-QGZVFWFLSA-N 1 0 398.345 2.016 20 0 GEADRO O=C(Nc1cncc(Br)c1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000154258312 644029496 /nfs/dbraw/zinc/02/94/96/644029496.db2.gz RGYAFCDITJMCOQ-ZDUSSCGKSA-N 1 0 395.301 2.117 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000154278925 644031191 /nfs/dbraw/zinc/03/11/91/644031191.db2.gz JXLWWNRWXOBMCP-SCZZXKLOSA-N 1 0 384.221 2.119 20 0 GEADRO CSc1nnc(CCCNC(=O)C[N@H+](C)[C@H]2CCSC2)n1CC(C)C ZINC000154369355 644039702 /nfs/dbraw/zinc/03/97/02/644039702.db2.gz LVIALHRHMHRYDT-AWEZNQCLSA-N 1 0 385.603 2.142 20 0 GEADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000154467925 644044411 /nfs/dbraw/zinc/04/44/11/644044411.db2.gz GYYPTYPUUJYFCC-LBPRGKRZSA-N 1 0 395.301 2.258 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000154555077 644051529 /nfs/dbraw/zinc/05/15/29/644051529.db2.gz 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Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000158663891 644154262 /nfs/dbraw/zinc/15/42/62/644154262.db2.gz VIJJGSFEQKPPOD-UHFFFAOYSA-N 1 0 383.905 2.018 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)C1 ZINC000158911184 644166980 /nfs/dbraw/zinc/16/69/80/644166980.db2.gz DTRXUARJVMPPKJ-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO O=C(NCCC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Br)cc1 ZINC000158989104 644171277 /nfs/dbraw/zinc/17/12/77/644171277.db2.gz JKHLDBNTSZKPPR-KRWDZBQOSA-N 1 0 395.301 2.173 20 0 GEADRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCNS(=O)(=O)c2ccc(C)s2)o1 ZINC000159020997 644172419 /nfs/dbraw/zinc/17/24/19/644172419.db2.gz SOMKLPVANDZBJT-UHFFFAOYSA-N 1 0 380.495 2.416 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)COc2ccc(I)cc2)C1 ZINC000159032376 644172876 /nfs/dbraw/zinc/17/28/76/644172876.db2.gz MIUZWZICZDOSLQ-LBPRGKRZSA-N 1 0 388.249 2.128 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000159060102 644174311 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GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000161700607 644216076 /nfs/dbraw/zinc/21/60/76/644216076.db2.gz MYGDUNWMPLEBMN-OAHLLOKOSA-N 1 0 388.917 2.058 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2=O)ccc1Br ZINC000161734818 644217487 /nfs/dbraw/zinc/21/74/87/644217487.db2.gz QFFLITYFVXNJQD-HZSPNIEDSA-N 1 0 394.313 2.497 20 0 GEADRO CC(C)C[C@H](C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)N1CCOCC1 ZINC000161874051 644223934 /nfs/dbraw/zinc/22/39/34/644223934.db2.gz YTKWAEBFBJNHLP-IAGOWNOFSA-N 1 0 398.345 2.312 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000162361176 644234747 /nfs/dbraw/zinc/23/47/47/644234747.db2.gz XYOPAWVTASUGHN-MRXNPFEDSA-N 1 0 384.293 2.327 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccccc1OC(F)F ZINC000162367867 644234929 /nfs/dbraw/zinc/23/49/29/644234929.db2.gz ZAIAAWHBTZQMFL-NSHDSACASA-N 1 0 375.397 2.046 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccccc1C(F)(F)F ZINC000162383800 644235851 /nfs/dbraw/zinc/23/58/51/644235851.db2.gz IWFVDXUJMGGSPY-LLVKDONJSA-N 1 0 377.388 2.464 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000162564630 644239146 /nfs/dbraw/zinc/23/91/46/644239146.db2.gz ZMHTVWLEJMRWHI-MRXNPFEDSA-N 1 0 384.293 2.327 20 0 GEADRO C[C@H](CNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)[N@H+](C)C1CC1 ZINC000162958857 644242609 /nfs/dbraw/zinc/24/26/09/644242609.db2.gz IKYCCLPQSXZSOM-IAQYHMDHSA-N 1 0 385.917 2.293 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1CCOC1 ZINC000163016528 644244986 /nfs/dbraw/zinc/24/49/86/644244986.db2.gz INQHBMKPTXTSGW-STQMWFEESA-N 1 0 387.311 2.052 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000164390702 644263843 /nfs/dbraw/zinc/26/38/43/644263843.db2.gz GJFVJYXOXUSAFN-UHFFFAOYSA-N 1 0 376.284 2.325 20 0 GEADRO C[C@@H]1CN(CCCCNS(=O)(=O)Cc2c(F)cccc2F)C[C@H](C)O1 ZINC000164468770 644265314 /nfs/dbraw/zinc/26/53/14/644265314.db2.gz RTESMNZVGCXMGP-OKILXGFUSA-N 1 0 376.469 2.274 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(Br)cc1I ZINC000170811276 644288902 /nfs/dbraw/zinc/28/89/02/644288902.db2.gz GKOKYTHGDRNCDQ-UHFFFAOYSA-N 1 0 397.054 2.345 20 0 GEADRO CSc1ccc(Cl)c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000171341303 644319219 /nfs/dbraw/zinc/31/92/19/644319219.db2.gz UUVNOHZAWDCSGE-UHFFFAOYSA-N 1 0 381.929 2.442 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000171435007 644321870 /nfs/dbraw/zinc/32/18/70/644321870.db2.gz IVGCNHAVSDAEEB-OAHLLOKOSA-N 1 0 381.318 2.367 20 0 GEADRO Cn1c(SCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)nnc1-c1cccs1 ZINC000171455165 644322548 /nfs/dbraw/zinc/32/25/48/644322548.db2.gz HGSNKBGTSLRAQQ-CYBMUJFWSA-N 1 0 377.539 2.332 20 0 GEADRO CC1CC[NH+](CCNC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000173501023 644358582 /nfs/dbraw/zinc/35/85/82/644358582.db2.gz FOALRIVBCZQETG-UHFFFAOYSA-N 1 0 383.286 2.489 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CSC(=O)N1 ZINC000174354376 644373015 /nfs/dbraw/zinc/37/30/15/644373015.db2.gz DXMKKVYWKNIZKZ-CYBMUJFWSA-N 1 0 375.416 2.421 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174652463 644378469 /nfs/dbraw/zinc/37/84/69/644378469.db2.gz VHLGYOIUQCYVGR-SNVBAGLBSA-N 1 0 384.249 2.127 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174652274 644378983 /nfs/dbraw/zinc/37/89/83/644378983.db2.gz XPERBBRDWHYHKH-JTQLQIEISA-N 1 0 384.249 2.127 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)c1ccc2ncc(I)n2c1 ZINC000175993475 644395797 /nfs/dbraw/zinc/39/57/97/644395797.db2.gz URJYQZFZEKSKFQ-UHFFFAOYSA-N 1 0 398.248 2.155 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000543686046 650919496 /nfs/dbraw/zinc/91/94/96/650919496.db2.gz YAOZEXYLZRECGF-CYBMUJFWSA-N 1 0 390.933 2.300 20 0 GEADRO C[C@@H]([NH2+]Cc1ccsc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000178024484 644428495 /nfs/dbraw/zinc/42/84/95/644428495.db2.gz GGKNLLJEPYJHCA-GFCCVEGCSA-N 1 0 388.536 2.325 20 0 GEADRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1ccccc1I ZINC000178330045 644432735 /nfs/dbraw/zinc/43/27/35/644432735.db2.gz HKYDHOILBYKBJQ-UHFFFAOYSA-N 1 0 390.221 2.161 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000178934642 644445270 /nfs/dbraw/zinc/44/52/70/644445270.db2.gz NPHDXXSQKRIWFM-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000179728575 644472577 /nfs/dbraw/zinc/47/25/77/644472577.db2.gz DMYAQGIKLJJECX-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(Br)n1 ZINC000179878071 644477789 /nfs/dbraw/zinc/47/77/89/644477789.db2.gz WVTQHMHAVMTMPK-NSHDSACASA-N 1 0 385.306 2.184 20 0 GEADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCc2sccc2C1 ZINC000180060268 644485749 /nfs/dbraw/zinc/48/57/49/644485749.db2.gz OQXWLJOQVQKYKD-KBPBESRZSA-N 1 0 379.551 2.493 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000181146772 644526466 /nfs/dbraw/zinc/52/64/66/644526466.db2.gz XYLKZMBLMYMRDB-AWEZNQCLSA-N 1 0 392.315 2.314 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccnc1Br)c1ccccc1 ZINC000181323226 644530852 /nfs/dbraw/zinc/53/08/52/644530852.db2.gz XHNXXKQZTXIDBO-AWEZNQCLSA-N 1 0 391.269 2.202 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)N[C@@H](CO)c2cccc(Cl)c2F)CCSC1 ZINC000544054333 650931893 /nfs/dbraw/zinc/93/18/93/650931893.db2.gz ZMYISJILRXZFHL-XJKSGUPXSA-N 1 0 375.897 2.249 20 0 GEADRO O[C@@H](C[NH2+]Cc1ncc(Br)cc1Br)[C@@H]1CCOC1 ZINC000544405779 650941320 /nfs/dbraw/zinc/94/13/20/650941320.db2.gz JRRCSTDRJGGTEO-PELKAZGASA-N 1 0 380.080 2.094 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)CC(C)C ZINC000544352019 650939920 /nfs/dbraw/zinc/93/99/20/650939920.db2.gz UUHGKCXXDDVUGO-HNNXBMFYSA-N 1 0 389.949 2.474 20 0 GEADRO O[C@H](C[NH2+]Cc1ncc(Br)cc1Br)[C@@H]1CCOC1 ZINC000544405780 650941333 /nfs/dbraw/zinc/94/13/33/650941333.db2.gz JRRCSTDRJGGTEO-PRHODGIISA-N 1 0 380.080 2.094 20 0 GEADRO O[C@H](C[NH2+]Cc1ncc(Br)cc1Br)[C@H]1CCOC1 ZINC000544405781 650941477 /nfs/dbraw/zinc/94/14/77/650941477.db2.gz JRRCSTDRJGGTEO-QPUJVOFHSA-N 1 0 380.080 2.094 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000544523575 650943789 /nfs/dbraw/zinc/94/37/89/650943789.db2.gz BZLDYFZAJUFODO-UHFFFAOYSA-N 1 0 377.819 2.301 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1[nH]nc(C(C)C)c1Br ZINC000544586945 650944538 /nfs/dbraw/zinc/94/45/38/650944538.db2.gz QRGGUIUXDNEWDN-UHFFFAOYSA-N 1 0 375.311 2.384 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000544586644 650944594 /nfs/dbraw/zinc/94/45/94/650944594.db2.gz LCFHMLGUFYJOTG-UHFFFAOYSA-N 1 0 383.290 2.414 20 0 GEADRO CN(C)c1nccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)n1 ZINC000544598718 650945266 /nfs/dbraw/zinc/94/52/66/650945266.db2.gz STFYZJACQZGZHU-UHFFFAOYSA-N 1 0 378.274 2.424 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cnc(-c3ccccn3)s2)CC1 ZINC000544617175 650946626 /nfs/dbraw/zinc/94/66/26/650946626.db2.gz SVQFZPFYMMPMDG-UHFFFAOYSA-N 1 0 380.539 2.356 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(I)cc1 ZINC000544658028 650948718 /nfs/dbraw/zinc/94/87/18/650948718.db2.gz IJMYTURLFUAITK-LBPRGKRZSA-N 1 0 394.278 2.006 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000544836791 650955184 /nfs/dbraw/zinc/95/51/84/650955184.db2.gz KDLFCWOCJKNARA-CMPLNLGQSA-N 1 0 377.304 2.219 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000544836794 650955322 /nfs/dbraw/zinc/95/53/22/650955322.db2.gz KDLFCWOCJKNARA-ZYHUDNBSSA-N 1 0 377.304 2.219 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cncc(Br)c1)[NH+]1CCCCC1 ZINC000182141917 644957461 /nfs/dbraw/zinc/95/74/61/644957461.db2.gz PGHRDYNAAITBKY-GFCCVEGCSA-N 1 0 383.290 2.163 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)cnc1Br ZINC000182149327 644957474 /nfs/dbraw/zinc/95/74/74/644957474.db2.gz IPDKOZBJEUPEMQ-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cnc1Br ZINC000182831388 644972233 /nfs/dbraw/zinc/97/22/33/644972233.db2.gz XOCBBAWOXKCLHW-LLVKDONJSA-N 1 0 385.306 2.184 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000183176057 644984149 /nfs/dbraw/zinc/98/41/49/644984149.db2.gz WNRAXGKEABNDOZ-RKDXNWHRSA-N 1 0 383.258 2.475 20 0 GEADRO Cn1ccnc1[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000183276838 644990278 /nfs/dbraw/zinc/99/02/78/644990278.db2.gz LZPAHJWFBLMXGB-CYBMUJFWSA-N 1 0 380.436 2.022 20 0 GEADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000184092890 645008929 /nfs/dbraw/zinc/00/89/29/645008929.db2.gz PSUDSASOMXWYCR-UHFFFAOYSA-N 1 0 394.291 2.223 20 0 GEADRO Cc1c(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)nnn1-c1cccc(Br)c1 ZINC000185149276 645036460 /nfs/dbraw/zinc/03/64/60/645036460.db2.gz PODCPKZYEBBAQQ-DFBGVHRSSA-N 1 0 390.285 2.148 20 0 GEADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000185263405 645040737 /nfs/dbraw/zinc/04/07/37/645040737.db2.gz KTTLSSZWVLLMAE-HNNXBMFYSA-N 1 0 381.519 2.183 20 0 GEADRO CC[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185522493 645047430 /nfs/dbraw/zinc/04/74/30/645047430.db2.gz UZBFHMZWSZIIQM-OAHLLOKOSA-N 1 0 397.317 2.114 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1ccc(Br)cc1 ZINC000185721039 645052103 /nfs/dbraw/zinc/05/21/03/645052103.db2.gz XNUHPQQOCDBDPP-OAHLLOKOSA-N 1 0 397.361 2.317 20 0 GEADRO O=C(NCC[NH+]1CCCCCC1)Nc1ccncc1I ZINC000545422360 650974174 /nfs/dbraw/zinc/97/41/74/650974174.db2.gz BKYHCYCWXPHCHG-UHFFFAOYSA-N 1 0 388.253 2.106 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000545470966 650976107 /nfs/dbraw/zinc/97/61/07/650976107.db2.gz URKLCENQHBAFDI-UHFFFAOYSA-N 1 0 380.491 2.228 20 0 GEADRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Br)cc3c2OCC3)CCC1 ZINC000545488903 650976636 /nfs/dbraw/zinc/97/66/36/650976636.db2.gz DAGAKKQRBIRZNW-UHFFFAOYSA-N 1 0 389.315 2.147 20 0 GEADRO CC[N@H+](CCNC(=O)c1ccc(I)c(O)c1)C(C)C ZINC000545489357 650976842 /nfs/dbraw/zinc/97/68/42/650976842.db2.gz VGJKYBQQOCMZAP-UHFFFAOYSA-N 1 0 376.238 2.457 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000187168481 645083746 /nfs/dbraw/zinc/08/37/46/645083746.db2.gz BCPMHOZEBVTKQN-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000187319979 645089220 /nfs/dbraw/zinc/08/92/20/645089220.db2.gz QXQXZOLTSMQEMG-UHFFFAOYSA-N 1 0 384.318 2.094 20 0 GEADRO [NH3+]Cc1cc(C(=O)NCCc2ccc(I)s2)co1 ZINC000187653933 645097175 /nfs/dbraw/zinc/09/71/75/645097175.db2.gz LCJAVVYNQARXAT-UHFFFAOYSA-N 1 0 376.219 2.377 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl)CN1CC[NH+](C)CC1 ZINC000188053738 645105244 /nfs/dbraw/zinc/10/52/44/645105244.db2.gz WPGFTZXMHXBNBA-NSHDSACASA-N 1 0 398.331 2.294 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000188060967 645106550 /nfs/dbraw/zinc/10/65/50/645106550.db2.gz LLWVCOMMDULOTE-LBPRGKRZSA-N 1 0 380.286 2.297 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188112038 645108889 /nfs/dbraw/zinc/10/88/89/645108889.db2.gz SOMSPXZTGZUBKO-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO O=C(NCCSCCOc1cccc(Br)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188539966 645116728 /nfs/dbraw/zinc/11/67/28/645116728.db2.gz YQMYNGYEUJTPOU-GXTWGEPZSA-N 1 0 391.306 2.377 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000189441019 645137320 /nfs/dbraw/zinc/13/73/20/645137320.db2.gz JOCVVKQOIRBBEY-CQSZACIVSA-N 1 0 375.485 2.368 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000545864154 650982499 /nfs/dbraw/zinc/98/24/99/650982499.db2.gz RNEPSZFTOMJWME-INIZCTEOSA-N 1 0 398.232 2.040 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)COc2ccc3ccccc3c2Br)C1 ZINC000545861357 650982516 /nfs/dbraw/zinc/98/25/16/650982516.db2.gz PWOMISLLQBDTAI-SFHVURJKSA-N 1 0 393.281 2.164 20 0 GEADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)c1 ZINC000189842755 645143091 /nfs/dbraw/zinc/14/30/91/645143091.db2.gz CITZIEDVRSQAJU-JTQLQIEISA-N 1 0 390.374 2.460 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000190294360 645149503 /nfs/dbraw/zinc/14/95/03/645149503.db2.gz UDDRWLYATUIDEY-UHFFFAOYSA-N 1 0 381.523 2.093 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000190563853 645159956 /nfs/dbraw/zinc/15/99/56/645159956.db2.gz LRICRMCWAHHRTK-UHFFFAOYSA-N 1 0 394.291 2.320 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(S(=O)(=O)CC)CC1)CC(C)C ZINC000192494436 645209915 /nfs/dbraw/zinc/20/99/15/645209915.db2.gz KCSDRFFBCOHXSS-INIZCTEOSA-N 1 0 375.579 2.352 20 0 GEADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000192581692 645212568 /nfs/dbraw/zinc/21/25/68/645212568.db2.gz YFNXPPQQRYOUFB-QWHCGFSZSA-N 1 0 382.302 2.179 20 0 GEADRO CN(C(=O)COc1cccc(I)c1)[C@H]1CCC[N@H+](C)C1 ZINC000192603984 645213769 /nfs/dbraw/zinc/21/37/69/645213769.db2.gz CSRUDUGFNYCLKQ-ZDUSSCGKSA-N 1 0 388.249 2.223 20 0 GEADRO C[NH+](C)CCCN(C(=O)/C=C/Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000192749058 645223281 /nfs/dbraw/zinc/22/32/81/645223281.db2.gz PDWXWXBPOXQEEO-LRFDDAOPSA-N 1 0 382.551 2.260 20 0 GEADRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000193096192 645240810 /nfs/dbraw/zinc/24/08/10/645240810.db2.gz PTDRNMWQTAHXAU-CQSZACIVSA-N 1 0 389.327 2.034 20 0 GEADRO [NH3+]C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 ZINC000193222864 645252312 /nfs/dbraw/zinc/25/23/12/645252312.db2.gz JHPKPICYLQTQJZ-OAHLLOKOSA-N 1 0 388.917 2.400 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000193244746 645255202 /nfs/dbraw/zinc/25/52/02/645255202.db2.gz RVIWJDWPYOSWQR-GFCCVEGCSA-N 1 0 394.313 2.286 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000193249171 645255533 /nfs/dbraw/zinc/25/55/33/645255533.db2.gz BGYPAGIPDIXVDO-XGNXJENSSA-N 1 0 376.906 2.302 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1cc(C(F)(F)F)ccc1Br ZINC000193256640 645256593 /nfs/dbraw/zinc/25/65/93/645256593.db2.gz PAXUFXPXWMICTK-SECBINFHSA-N 1 0 387.221 2.498 20 0 GEADRO C[C@@H]([NH3+])CCC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000193259574 645257378 /nfs/dbraw/zinc/25/73/78/645257378.db2.gz ZJPPIQBRODOKBE-LLVKDONJSA-N 1 0 391.331 2.245 20 0 GEADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193276712 645259422 /nfs/dbraw/zinc/25/94/22/645259422.db2.gz QCBZAZMKAFPCEV-ZFWWWQNUSA-N 1 0 390.933 2.422 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000193285622 645261483 /nfs/dbraw/zinc/26/14/83/645261483.db2.gz PKMNEPNUFYGKNW-QWRGUYRKSA-N 1 0 377.304 2.206 20 0 GEADRO O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)c1cc2c(cc1Cl)OCCO2 ZINC000193431180 645272682 /nfs/dbraw/zinc/27/26/82/645272682.db2.gz CVTOAEOXIRXCIV-UHFFFAOYSA-N 1 0 380.853 2.193 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000193441750 645273258 /nfs/dbraw/zinc/27/32/58/645273258.db2.gz WMRSHHSCXDANBX-UHFFFAOYSA-N 1 0 395.301 2.306 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ncc1Br ZINC000193493914 645278952 /nfs/dbraw/zinc/27/89/52/645278952.db2.gz OHTYNKNCIOJPTI-RYUDHWBXSA-N 1 0 383.290 2.080 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193562609 645283818 /nfs/dbraw/zinc/28/38/18/645283818.db2.gz NGRCMOVCZXJUJX-MLGOLLRUSA-N 1 0 387.933 2.239 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000193620672 645291134 /nfs/dbraw/zinc/29/11/34/645291134.db2.gz MOOHQBKPOOEXJU-XHDPSFHLSA-N 1 0 387.933 2.287 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2ncccc2Br)ccn1 ZINC000193712668 645292965 /nfs/dbraw/zinc/29/29/65/645292965.db2.gz CVKYUMJTXPGMNP-UHFFFAOYSA-N 1 0 379.258 2.110 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000193769346 645297659 /nfs/dbraw/zinc/29/76/59/645297659.db2.gz HCCQHRFBAFBPNB-UHFFFAOYSA-N 1 0 387.933 2.289 20 0 GEADRO CCC[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000193779576 645298331 /nfs/dbraw/zinc/29/83/31/645298331.db2.gz YMHNVZNOZDZKSD-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000193807036 645300648 /nfs/dbraw/zinc/30/06/48/645300648.db2.gz RQHJKWSROUPLMR-INIZCTEOSA-N 1 0 394.313 2.404 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000194401470 645326525 /nfs/dbraw/zinc/32/65/25/645326525.db2.gz JQPGUHROSIDQNI-UHFFFAOYSA-N 1 0 385.306 2.363 20 0 GEADRO O=C(c1cc(I)ccc1O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194534881 645331596 /nfs/dbraw/zinc/33/15/96/645331596.db2.gz GBVAYLCPIRNQSL-UHFFFAOYSA-N 1 0 386.233 2.307 20 0 GEADRO C[N@H+]1C[C@H]2CN(Cc3ccc(Br)cc3N3CCOCC3)C[C@H]2C1 ZINC000194543642 645332248 /nfs/dbraw/zinc/33/22/48/645332248.db2.gz GJHVEPSIYGCAFR-IYBDPMFKSA-N 1 0 380.330 2.279 20 0 GEADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000546571925 651002595 /nfs/dbraw/zinc/00/25/95/651002595.db2.gz ZFTHHPNPSVDZLC-DOTOQJQBSA-N 1 0 385.302 2.035 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000195172963 645360582 /nfs/dbraw/zinc/36/05/82/645360582.db2.gz GKOLXVKDRRJHDU-CHWSQXEVSA-N 1 0 395.301 2.021 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195213948 645363645 /nfs/dbraw/zinc/36/36/45/645363645.db2.gz GCYNGVDNZIDFBN-KFWWJZLASA-N 1 0 382.551 2.029 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)NCc1cc(Br)cc2c1OCC2 ZINC000546619074 651004753 /nfs/dbraw/zinc/00/47/53/651004753.db2.gz NTIDQTSXCGVSKG-UHFFFAOYSA-N 1 0 391.269 2.112 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(I)ccc1O ZINC000225897755 645389070 /nfs/dbraw/zinc/38/90/70/645389070.db2.gz OSNCQBFSGMFTNR-NWDGAFQWSA-N 1 0 386.233 2.353 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228201009 645395477 /nfs/dbraw/zinc/39/54/77/645395477.db2.gz YCWMUOOBNXXAPU-RYUDHWBXSA-N 1 0 387.265 2.207 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNCc1ncc(Br)cc1Br ZINC000230557538 645398611 /nfs/dbraw/zinc/39/86/11/645398611.db2.gz CHDFGZFGXXQNLQ-GFCCVEGCSA-N 1 0 381.112 2.009 20 0 GEADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(I)c(O)c1 ZINC000230894441 645401364 /nfs/dbraw/zinc/40/13/64/645401364.db2.gz QWDNBYAJRJHWMW-GFCCVEGCSA-N 1 0 376.238 2.313 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233777637 645405873 /nfs/dbraw/zinc/40/58/73/645405873.db2.gz PIEZVWZCAUPLJI-CMPLNLGQSA-N 1 0 377.304 2.267 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000236572396 645412033 /nfs/dbraw/zinc/41/20/33/645412033.db2.gz HOWDKJVVJYQMDY-TZMCWYRMSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236579936 645412505 /nfs/dbraw/zinc/41/25/05/645412505.db2.gz WHQQANCUPDABGY-OLZOCXBDSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000236578721 645412582 /nfs/dbraw/zinc/41/25/82/645412582.db2.gz DIEYREBYPIFQGR-QWHCGFSZSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000236578215 645412607 /nfs/dbraw/zinc/41/26/07/645412607.db2.gz KVBDMDIUVHKGOV-CHWSQXEVSA-N 1 0 384.343 2.239 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236593931 645413083 /nfs/dbraw/zinc/41/30/83/645413083.db2.gz GAGHMQRWHMTOCO-UKRRQHHQSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000236590238 645413176 /nfs/dbraw/zinc/41/31/76/645413176.db2.gz LGOWEFWTXUBAKV-GXTWGEPZSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000236625015 645414482 /nfs/dbraw/zinc/41/44/82/645414482.db2.gz GSORRAVPCWNQJN-SECBINFHSA-N 1 0 380.264 2.009 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000236621934 645414532 /nfs/dbraw/zinc/41/45/32/645414532.db2.gz JLBLGQHOYZGCHB-LBPRGKRZSA-N 1 0 388.281 2.198 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])s2)CC1 ZINC000236647061 645416122 /nfs/dbraw/zinc/41/61/22/645416122.db2.gz HEYOENBFZKGVAG-KBPBESRZSA-N 1 0 385.555 2.026 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000236654265 645416679 /nfs/dbraw/zinc/41/66/79/645416679.db2.gz HILZDMHFZLMERB-IAQYHMDHSA-N 1 0 389.315 2.448 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)ccc1Br ZINC000236654151 645416790 /nfs/dbraw/zinc/41/67/90/645416790.db2.gz KWVCHRDKUPTFJX-LLVKDONJSA-N 1 0 375.288 2.072 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000236680413 645417513 /nfs/dbraw/zinc/41/75/13/645417513.db2.gz IQGSBHDHVSPNMT-ZDUSSCGKSA-N 1 0 387.933 2.241 20 0 GEADRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000236722861 645418527 /nfs/dbraw/zinc/41/85/27/645418527.db2.gz UIJKGFGZSHNKDP-ZDUSSCGKSA-N 1 0 394.291 2.399 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc2ncc(I)n2c1 ZINC000236843776 645420176 /nfs/dbraw/zinc/42/01/76/645420176.db2.gz MCIJYRRUGXTVFY-CQSZACIVSA-N 1 0 386.237 2.042 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000237003386 645421704 /nfs/dbraw/zinc/42/17/04/645421704.db2.gz UKBDJHYJDOVXNF-CYBMUJFWSA-N 1 0 387.933 2.242 20 0 GEADRO CCOc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000237106702 645422567 /nfs/dbraw/zinc/42/25/67/645422567.db2.gz NVSDOKFPLFIOHL-FOSCPWQOSA-N 1 0 389.315 2.409 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)C1 ZINC000237188294 645425938 /nfs/dbraw/zinc/42/59/38/645425938.db2.gz SJLFNGZRAQBRJJ-QWRGUYRKSA-N 1 0 388.331 2.087 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c(Cl)cc1Cl ZINC000237188926 645426065 /nfs/dbraw/zinc/42/60/65/645426065.db2.gz NFMKXDWBIGQVBD-UHFFFAOYSA-N 1 0 381.281 2.153 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c(Cl)cc1Cl ZINC000237191695 645426121 /nfs/dbraw/zinc/42/61/21/645426121.db2.gz JSLGBUNUYYBBAL-VIFPVBQESA-N 1 0 381.281 2.282 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N1CCC[NH2+]CC1 ZINC000237188764 645426175 /nfs/dbraw/zinc/42/61/75/645426175.db2.gz DGWRHXFAUSANLF-UHFFFAOYSA-N 1 0 394.640 2.389 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC1 ZINC000237358141 645428975 /nfs/dbraw/zinc/42/89/75/645428975.db2.gz IBWVCFVUVRNLFB-UHFFFAOYSA-N 1 0 390.347 2.135 20 0 GEADRO C[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@H](C)C[NH2+]1 ZINC000237410478 645430926 /nfs/dbraw/zinc/43/09/26/645430926.db2.gz YNVBMUVLUFLQHO-VXGBXAGGSA-N 1 0 383.290 2.170 20 0 GEADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000237418416 645431195 /nfs/dbraw/zinc/43/11/95/645431195.db2.gz HQMFXUUIFLWQBT-BXUZGUMPSA-N 1 0 381.523 2.058 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2ccc3ncc(I)n3c2)[C@H]1C[NH3+] ZINC000237444251 645432510 /nfs/dbraw/zinc/43/25/10/645432510.db2.gz XWGCGUYWKDHFEC-PWSUYJOCSA-N 1 0 398.248 2.138 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000237478732 645433334 /nfs/dbraw/zinc/43/33/34/645433334.db2.gz FXOYFAKMQIUKQU-NWDGAFQWSA-N 1 0 390.347 2.263 20 0 GEADRO C[C@@H](CC(=O)N(C)CC(=O)Nc1ccc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000237519169 645435143 /nfs/dbraw/zinc/43/51/43/645435143.db2.gz ZWIXXXOBGYOHQU-QWHCGFSZSA-N 1 0 397.317 2.267 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@H]([NH3+])C3CC3)[nH]c(=O)c2c1C ZINC000237526342 645435823 /nfs/dbraw/zinc/43/58/23/645435823.db2.gz JGWRXGWPXWKLLQ-JQWIXIFHSA-N 1 0 380.539 2.077 20 0 GEADRO C[C@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCC[NH2+]C1 ZINC000237609210 645438002 /nfs/dbraw/zinc/43/80/02/645438002.db2.gz YISWSJQWEAOCHE-KRWDZBQOSA-N 1 0 385.917 2.453 20 0 GEADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237601916 645438046 /nfs/dbraw/zinc/43/80/46/645438046.db2.gz QBQWFPDMFQEHCY-UHFFFAOYSA-N 1 0 391.877 2.075 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000237620456 645439003 /nfs/dbraw/zinc/43/90/03/645439003.db2.gz CRIFNISWFRTNOA-GXTWGEPZSA-N 1 0 385.917 2.076 20 0 GEADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCC[NH2+]C1CCCCCC1 ZINC000237767661 645439829 /nfs/dbraw/zinc/43/98/29/645439829.db2.gz LNJJVGVEMRFCDH-UHFFFAOYSA-N 1 0 393.962 2.108 20 0 GEADRO C[C@]1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC[NH2+]C1 ZINC000237787409 645440462 /nfs/dbraw/zinc/44/04/62/645440462.db2.gz WTFGEOAQDIAWNS-KRWDZBQOSA-N 1 0 395.301 2.021 20 0 GEADRO [NH3+]CC1(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCCC1 ZINC000237782313 645440684 /nfs/dbraw/zinc/44/06/84/645440684.db2.gz UQZYLDGWAHCCLJ-AWEZNQCLSA-N 1 0 380.286 2.190 20 0 GEADRO [NH3+]C[C@H](C(=O)NC[C@@H](O)COc1ccccc1Br)c1ccccc1 ZINC000237820974 645444018 /nfs/dbraw/zinc/44/40/18/645444018.db2.gz LZNAHXUDNWEYCD-CABCVRRESA-N 1 0 393.281 2.048 20 0 GEADRO [NH3+]C1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000237826752 645444320 /nfs/dbraw/zinc/44/43/20/645444320.db2.gz RMMRQTFKDROWDM-UHFFFAOYSA-N 1 0 385.287 2.443 20 0 GEADRO [NH3+]C[C@H](NC(=O)CCc1nc(-c2cc(Br)cs2)no1)C1CC1 ZINC000237864452 645446404 /nfs/dbraw/zinc/44/64/04/645446404.db2.gz OETJIHWTPSBEFA-JTQLQIEISA-N 1 0 385.287 2.347 20 0 GEADRO O=C(C[NH2+]CC1=Cc2cc(Br)ccc2OC1)NCC(F)(F)F ZINC000237873708 645447331 /nfs/dbraw/zinc/44/73/31/645447331.db2.gz OTCDNMLOIYRAHR-UHFFFAOYSA-N 1 0 379.176 2.493 20 0 GEADRO 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20 0 GEADRO [NH3+]C1(c2noc(CN3C(=O)c4ccc(Br)cc4C3=O)n2)CCCC1 ZINC000261766830 645598148 /nfs/dbraw/zinc/59/81/48/645598148.db2.gz MVKSWJVMRNTLDM-UHFFFAOYSA-N 1 0 391.225 2.356 20 0 GEADRO COCC1(CNC(=O)CCOc2ccccc2Br)CC[NH2+]CC1 ZINC000261777892 645599390 /nfs/dbraw/zinc/59/93/90/645599390.db2.gz SCDPVWRMDSIQCZ-UHFFFAOYSA-N 1 0 385.302 2.350 20 0 GEADRO C[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000261791466 645600145 /nfs/dbraw/zinc/60/01/45/645600145.db2.gz QMRCOYQFDLLPHS-RISCZKNCSA-N 1 0 387.265 2.302 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261795594 645600878 /nfs/dbraw/zinc/60/08/78/645600878.db2.gz MHDRIWRXHXUQEB-GASCZTMLSA-N 1 0 394.313 2.027 20 0 GEADRO [NH3+]C1(c2noc(Cc3ccc(S(=O)(=O)N4CCCC4)s3)n2)CCCC1 ZINC000261804186 645601623 /nfs/dbraw/zinc/60/16/23/645601623.db2.gz PIXODHOIDAGYKD-UHFFFAOYSA-N 1 0 382.511 2.234 20 0 GEADRO COc1cc(Br)c(CN2CC[NH2+]C[C@@H]2c2nccn2C)cc1OC ZINC000261810892 645602391 /nfs/dbraw/zinc/60/23/91/645602391.db2.gz SLXTVHVIUYBYBZ-CQSZACIVSA-N 1 0 395.301 2.346 20 0 GEADRO O=C(CC[C@H]1CC[NH2+]C1)NCCc1ccc(I)s1 ZINC000261821971 645603006 /nfs/dbraw/zinc/60/30/06/645603006.db2.gz IILMPYNOZMOBQF-JTQLQIEISA-N 1 0 378.279 2.401 20 0 GEADRO C[C@@H]1CCc2sc(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)cc2C1 ZINC000261820156 645603067 /nfs/dbraw/zinc/60/30/67/645603067.db2.gz KEDIQISAWWHXRQ-ABAIWWIYSA-N 1 0 375.460 2.439 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000261829299 645603695 /nfs/dbraw/zinc/60/36/95/645603695.db2.gz OFIJGDPAOTUSEU-GXFFZTMASA-N 1 0 389.315 2.274 20 0 GEADRO Brc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000261837114 645604241 /nfs/dbraw/zinc/60/42/41/645604241.db2.gz ILMHXFAPYBWVGI-OAHLLOKOSA-N 1 0 375.314 2.477 20 0 GEADRO C[C@@]([NH3+])(C(=O)NCc1cn2c(n1)CCCC2)c1ccc(Br)cc1 ZINC000261832859 645604330 /nfs/dbraw/zinc/60/43/30/645604330.db2.gz UGRIURAQVDAINL-KRWDZBQOSA-N 1 0 377.286 2.472 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC[C@H](n2cncn2)C1)c1ccc(Br)cc1 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C[NH+](C)[C@@]1(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)CCSC1 ZINC000267029575 645875403 /nfs/dbraw/zinc/87/54/03/645875403.db2.gz ATCXYYZFIGIPIO-QGZVFWFLSA-N 1 0 384.571 2.105 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2cc(N3CCNC3=O)ccc2Cl)CCSC1 ZINC000267130770 645885930 /nfs/dbraw/zinc/88/59/30/645885930.db2.gz RRELFENHSNOHJW-KRWDZBQOSA-N 1 0 382.917 2.037 20 0 GEADRO Cc1nc(-c2ccc(S(=O)(=O)NC[C@]3([NH+](C)C)CCSC3)cc2)co1 ZINC000267234420 645890637 /nfs/dbraw/zinc/89/06/37/645890637.db2.gz XAZMIPWZTTZPKQ-QGZVFWFLSA-N 1 0 381.523 2.366 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCSC2)cc1Cl ZINC000267308032 645897262 /nfs/dbraw/zinc/89/72/62/645897262.db2.gz LGEUJWWESLTNNP-ZDUSSCGKSA-N 1 0 385.917 2.231 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)CCSC1 ZINC000267309576 645897652 /nfs/dbraw/zinc/89/76/52/645897652.db2.gz LQXZJALKMYHQLA-HNNXBMFYSA-N 1 0 375.416 2.197 20 0 GEADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267482083 645907077 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OC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000321622686 647292958 /nfs/dbraw/zinc/29/29/58/647292958.db2.gz NDBIZSDSRGNJBI-DLBZAZTESA-N 1 0 380.282 2.382 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)COc1ccc(Cl)cc1Cl ZINC000325859290 647303959 /nfs/dbraw/zinc/30/39/59/647303959.db2.gz XQDKFAKTGTVMHH-RBSFLKMASA-N 1 0 375.296 2.186 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1 ZINC000329136578 647319147 /nfs/dbraw/zinc/31/91/47/647319147.db2.gz RCFLKVQZAMIQTE-CYBMUJFWSA-N 1 0 385.921 2.044 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C[C@H]1[NH+]1CCCC1 ZINC000330103556 647330090 /nfs/dbraw/zinc/33/00/90/647330090.db2.gz GYCOCVXWPGOKJL-FDYHWXHSSA-N 1 0 379.448 2.322 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000330863114 647356512 /nfs/dbraw/zinc/35/65/12/647356512.db2.gz TUBLVIPUNDTLTD-UHFFFAOYSA-N 1 0 379.931 2.189 20 0 GEADRO COc1ccc(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000331018014 647362502 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COc1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000368574111 647759258 /nfs/dbraw/zinc/75/92/58/647759258.db2.gz JEYKTLXHLBBFDC-HNNXBMFYSA-N 1 0 389.315 2.222 20 0 GEADRO CS(=O)(=O)C1(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000368597531 647760502 /nfs/dbraw/zinc/76/05/02/647760502.db2.gz JLAWHYPSOFEJOW-HZPDHXFCSA-N 1 0 384.929 2.259 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(I)ccc3O)C[C@@H]21 ZINC000368595380 647760670 /nfs/dbraw/zinc/76/06/70/647760670.db2.gz SOPFSCJCCFWAQW-MFKMUULPSA-N 1 0 386.233 2.163 20 0 GEADRO Cn1ncc(Cl)c1S(=O)(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000369183874 647771777 /nfs/dbraw/zinc/77/17/77/647771777.db2.gz OBCDGZVKZQUHAS-KRWDZBQOSA-N 1 0 382.917 2.264 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371251131 647787442 /nfs/dbraw/zinc/78/74/42/647787442.db2.gz HYECNYHVIJZHTA-BBRMVZONSA-N 1 0 389.924 2.126 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccncc3I)C2)CC1 ZINC000371265846 647788399 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647840062 /nfs/dbraw/zinc/84/00/62/647840062.db2.gz QJCVPEPAVYSEKL-CXAGYDPISA-N 1 0 380.539 2.180 20 0 GEADRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(=O)n1C ZINC000376422498 647845514 /nfs/dbraw/zinc/84/55/14/647845514.db2.gz ASJUKRZKMYALOK-GFCCVEGCSA-N 1 0 382.302 2.203 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1nc2c(s1)CSCC2)C(C)(C)C ZINC000376709901 647849271 /nfs/dbraw/zinc/84/92/71/647849271.db2.gz JKPUSOQQDNHLKF-ZDUSSCGKSA-N 1 0 384.571 2.354 20 0 GEADRO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)Cn3cc(Br)cn3)C2)nn1 ZINC000377248645 647857867 /nfs/dbraw/zinc/85/78/67/647857867.db2.gz HFEHAINMKJMNBV-HIFRSBDPSA-N 1 0 379.306 2.391 20 0 GEADRO O=C1NC[C@@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC[C@H]12 ZINC000377651895 647863142 /nfs/dbraw/zinc/86/31/42/647863142.db2.gz KOZZQXDDRCGQJY-CJNGLKHVSA-N 1 0 387.281 2.474 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(Br)n1 ZINC000378433321 647880596 /nfs/dbraw/zinc/88/05/96/647880596.db2.gz QEULVAUNLOKCGN-LBPRGKRZSA-N 1 0 395.301 2.224 20 0 GEADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380337768 647887751 /nfs/dbraw/zinc/88/77/51/647887751.db2.gz UGNHEAXJPCLQHJ-PHIMTYICSA-N 1 0 379.345 2.439 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000389804560 647891756 /nfs/dbraw/zinc/89/17/56/647891756.db2.gz LBMRUEAPJQUDAH-CQSZACIVSA-N 1 0 389.315 2.268 20 0 GEADRO C[C@@H]1[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCS1(=O)=O ZINC000390187258 647892801 /nfs/dbraw/zinc/89/28/01/647892801.db2.gz SKCPBMFZYVVQAE-ZWNOBZJWSA-N 1 0 390.299 2.276 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(I)c2)C1 ZINC000398827293 647900207 /nfs/dbraw/zinc/90/02/07/647900207.db2.gz AIBPSKYCNLDMGG-CQSZACIVSA-N 1 0 388.249 2.132 20 0 GEADRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000400101247 647902252 /nfs/dbraw/zinc/90/22/52/647902252.db2.gz AMQDQHPEXYVEPS-GFCCVEGCSA-N 1 0 384.299 2.121 20 0 GEADRO Cc1ccc(NC(=O)Cn2cc([C@H]3CCC[NH2+]C3)nn2)c(Br)c1 ZINC000404841995 647908828 /nfs/dbraw/zinc/90/88/28/647908828.db2.gz KFEKIVQGYCNBLI-LBPRGKRZSA-N 1 0 378.274 2.455 20 0 GEADRO COc1ccc(Br)c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000409713665 647980508 /nfs/dbraw/zinc/98/05/08/647980508.db2.gz SESWJXMZVMRPPM-ZDUSSCGKSA-N 1 0 385.302 2.280 20 0 GEADRO O=C(CC[NH2+][C@@H](CO)[C@H]1CCCO1)Nc1ccc(Br)cc1F ZINC000411660489 648029468 /nfs/dbraw/zinc/02/94/68/648029468.db2.gz AKSMFAILQNBXQO-UONOGXRCSA-N 1 0 375.238 2.046 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000411667949 648030165 /nfs/dbraw/zinc/03/01/65/648030165.db2.gz IGORRNSHTAPWPD-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412046325 648041811 /nfs/dbraw/zinc/04/18/11/648041811.db2.gz QZTPLUSPNISPOM-MISXGVKJSA-N 1 0 388.249 2.321 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412114750 648043831 /nfs/dbraw/zinc/04/38/31/648043831.db2.gz YCBOSLFIVSRRJJ-GDBMZVCRSA-N 1 0 399.329 2.460 20 0 GEADRO Cc1cc(Br)cc(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000412319076 648048058 /nfs/dbraw/zinc/04/80/58/648048058.db2.gz HPRNZRNQYXXVJX-CQSZACIVSA-N 1 0 396.329 2.478 20 0 GEADRO CC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)[NH+](C)C ZINC000413502771 648068227 /nfs/dbraw/zinc/06/82/27/648068227.db2.gz KTXOJRBRWKKVAX-ZDUSSCGKSA-N 1 0 377.869 2.199 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)[C@H](C)c2cccc(Br)c2)CC[N@H+](C)C1 ZINC000413896459 648082641 /nfs/dbraw/zinc/08/26/41/648082641.db2.gz SJKLTMKDIZBNDM-TZMCWYRMSA-N 1 0 383.286 2.116 20 0 GEADRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414278523 648089406 /nfs/dbraw/zinc/08/94/06/648089406.db2.gz XDUKFVARUYJCPX-LBPRGKRZSA-N 1 0 390.347 2.061 20 0 GEADRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)N2CCOCC2)o1 ZINC000414283919 648089877 /nfs/dbraw/zinc/08/98/77/648089877.db2.gz PUOHMQSACJNDEE-OAHLLOKOSA-N 1 0 384.523 2.216 20 0 GEADRO COCCOc1ccccc1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414315598 648091859 /nfs/dbraw/zinc/09/18/59/648091859.db2.gz MTQZDUNPCXFFNG-UHFFFAOYSA-N 1 0 384.885 2.302 20 0 GEADRO CCc1ncc(C[NH2+]CCc2ccc(S(=O)(=O)N(CC)CC)s2)cn1 ZINC000414324051 648093462 /nfs/dbraw/zinc/09/34/62/648093462.db2.gz JTJSPLWSSREXRJ-UHFFFAOYSA-N 1 0 382.555 2.463 20 0 GEADRO CN(C)c1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414333957 648095031 /nfs/dbraw/zinc/09/50/31/648095031.db2.gz UFKIDCHPRQHDEP-UHFFFAOYSA-N 1 0 398.326 2.452 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Nc1ccc(Br)cc1 ZINC000414669286 648098890 /nfs/dbraw/zinc/09/88/90/648098890.db2.gz JWSGZJOZCIARLM-CQSZACIVSA-N 1 0 383.290 2.301 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ccc(Br)cc1 ZINC000414670088 648098963 /nfs/dbraw/zinc/09/89/63/648098963.db2.gz KKPWVMDEVQYJRR-GFCCVEGCSA-N 1 0 395.223 2.407 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CC[C@@H]([NH2+]C)C2)ccc1Cl ZINC000414707682 648100632 /nfs/dbraw/zinc/10/06/32/648100632.db2.gz BXEKYQCPVJABFI-CYBMUJFWSA-N 1 0 388.921 2.196 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@H](C[NH3+])C2CC2)ccc1Cl ZINC000414718267 648102006 /nfs/dbraw/zinc/10/20/06/648102006.db2.gz RDCYVYJWNXONNR-CQSZACIVSA-N 1 0 388.921 2.229 20 0 GEADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(Br)o1 ZINC000414724405 648102425 /nfs/dbraw/zinc/10/24/25/648102425.db2.gz FMXRYJUQLCKZOE-UHFFFAOYSA-N 1 0 380.242 2.359 20 0 GEADRO CC(C)(C)c1csc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414723701 648102436 /nfs/dbraw/zinc/10/24/36/648102436.db2.gz IPXFDFHSIKWZQX-NSHDSACASA-N 1 0 379.452 2.398 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[NH2+]1 ZINC000415419281 648104343 /nfs/dbraw/zinc/10/43/43/648104343.db2.gz ULBQEZWXCJPCLJ-NSHDSACASA-N 1 0 376.254 2.361 20 0 GEADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415472132 648105925 /nfs/dbraw/zinc/10/59/25/648105925.db2.gz UVXUMWFDJJYPET-QPUJVOFHSA-N 1 0 388.237 2.494 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415582086 648106870 /nfs/dbraw/zinc/10/68/70/648106870.db2.gz OIRQOCWAKIIVMJ-QGZVFWFLSA-N 1 0 398.301 2.292 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCC[NH2+]C1 ZINC000415588625 648107391 /nfs/dbraw/zinc/10/73/91/648107391.db2.gz XVIKVQXJQIOEDP-OAHLLOKOSA-N 1 0 390.228 2.172 20 0 GEADRO COc1ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)c(I)c1 ZINC000415590943 648107996 /nfs/dbraw/zinc/10/79/96/648107996.db2.gz BVGUSJSSAUSYQM-JTQLQIEISA-N 1 0 389.237 2.421 20 0 GEADRO COc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(I)c1 ZINC000415600527 648109779 /nfs/dbraw/zinc/10/97/79/648109779.db2.gz SXYNLPVWGNJJJQ-CABZTGNLSA-N 1 0 389.237 2.419 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415625299 648110801 /nfs/dbraw/zinc/11/08/01/648110801.db2.gz PDEXEEXYFATRNS-JMCQJSRRSA-N 1 0 392.656 2.294 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2C(=O)OC)C1 ZINC000415630771 648111911 /nfs/dbraw/zinc/11/19/11/648111911.db2.gz GVCKCPVHKMWVRE-VIFPVBQESA-N 1 0 388.237 2.448 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415815309 648113887 /nfs/dbraw/zinc/11/38/87/648113887.db2.gz WJFVKGAMMNHURA-BQBZGAKWSA-N 1 0 393.079 2.002 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415813351 648113959 /nfs/dbraw/zinc/11/39/59/648113959.db2.gz UEQJIYVMSNZYEM-RQJHMYQMSA-N 1 0 398.179 2.138 20 0 GEADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416415198 648118652 /nfs/dbraw/zinc/11/86/52/648118652.db2.gz JMUBSWJBTXTXGA-UHFFFAOYSA-N 1 0 375.922 2.018 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416483530 648142755 /nfs/dbraw/zinc/14/27/55/648142755.db2.gz LXLFHSXLONPHGH-LBPRGKRZSA-N 1 0 389.949 2.407 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000416483798 648143273 /nfs/dbraw/zinc/14/32/73/648143273.db2.gz NYUIMIFIPWPDRM-UHFFFAOYSA-N 1 0 390.933 2.470 20 0 GEADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000416485177 648143959 /nfs/dbraw/zinc/14/39/59/648143959.db2.gz ZRPRBDMKALNUBU-NSHDSACASA-N 1 0 375.922 2.015 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@H]3CC[N@H+](C)C3)ccc2s1 ZINC000416494462 648147929 /nfs/dbraw/zinc/14/79/29/648147929.db2.gz ISJHUTVBVWFBGB-GFCCVEGCSA-N 1 0 382.507 2.308 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000416554432 648169884 /nfs/dbraw/zinc/16/98/84/648169884.db2.gz JTMVDQNHCRCKCR-GFCCVEGCSA-N 1 0 391.896 2.448 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000416554451 648169950 /nfs/dbraw/zinc/16/99/50/648169950.db2.gz JTMVDQNHCRCKCR-LBPRGKRZSA-N 1 0 391.896 2.448 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000416553522 648169978 /nfs/dbraw/zinc/16/99/78/648169978.db2.gz COKFROCYUINLIR-UHFFFAOYSA-N 1 0 382.507 2.272 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000416832818 648213997 /nfs/dbraw/zinc/21/39/97/648213997.db2.gz QNLVWJWDSITDQM-STQMWFEESA-N 1 0 397.317 2.465 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000416834281 648214142 /nfs/dbraw/zinc/21/41/42/648214142.db2.gz RZFFIMDZRAWWIG-RYUDHWBXSA-N 1 0 383.290 2.075 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000416832814 648214164 /nfs/dbraw/zinc/21/41/64/648214164.db2.gz QNLVWJWDSITDQM-CHWSQXEVSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000416835876 648214504 /nfs/dbraw/zinc/21/45/04/648214504.db2.gz USNZXCQGXJNYLA-CYBMUJFWSA-N 1 0 397.317 2.385 20 0 GEADRO COc1ccc([C@H](C)NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Br ZINC000416891636 648215588 /nfs/dbraw/zinc/21/55/88/648215588.db2.gz NRHWSBLNTDOWCR-AAEUAGOBSA-N 1 0 386.290 2.278 20 0 GEADRO COCC1(CNC(=O)NCc2cc(Br)cs2)CC[NH2+]CC1 ZINC000417095513 648224384 /nfs/dbraw/zinc/22/43/84/648224384.db2.gz ODWWVAGOKNMFCD-UHFFFAOYSA-N 1 0 376.320 2.326 20 0 GEADRO COc1ccc(Br)c(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000417134408 648225952 /nfs/dbraw/zinc/22/59/52/648225952.db2.gz DVRARMHATHBLOQ-LBPRGKRZSA-N 1 0 378.217 2.254 20 0 GEADRO O=C(NCc1cn2cc(Br)ccc2n1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417209880 648232458 /nfs/dbraw/zinc/23/24/58/648232458.db2.gz CPQCGGNZUMBBRE-BETUJISGSA-N 1 0 392.301 2.238 20 0 GEADRO C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2n1)[C@H]1CCC[NH2+]C1 ZINC000417224187 648234273 /nfs/dbraw/zinc/23/42/73/648234273.db2.gz RCQAFXCOVKETIB-NEPJUHHUSA-N 1 0 380.290 2.284 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000417226307 648234839 /nfs/dbraw/zinc/23/48/39/648234839.db2.gz ZPNAOMRXGWUPAC-OAHLLOKOSA-N 1 0 375.922 2.129 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417226155 648234853 /nfs/dbraw/zinc/23/48/53/648234853.db2.gz ORGLBQZJFAIHSF-MRXNPFEDSA-N 1 0 383.290 2.158 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)[C@H]1C ZINC000417228607 648235251 /nfs/dbraw/zinc/23/52/51/648235251.db2.gz RUQJKUMNPFIMFG-NEPJUHHUSA-N 1 0 383.290 2.170 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000417229913 648235674 /nfs/dbraw/zinc/23/56/74/648235674.db2.gz YEMWWXZVYKHONA-LBPRGKRZSA-N 1 0 380.290 2.367 20 0 GEADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000417256712 648237000 /nfs/dbraw/zinc/23/70/00/648237000.db2.gz BFMMDCWKGNHSQP-KGLIPLIRSA-N 1 0 381.318 2.279 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417303561 648238734 /nfs/dbraw/zinc/23/87/34/648238734.db2.gz SPKNSXYFZRVASC-JQWIXIFHSA-N 1 0 384.274 2.147 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417358589 648240134 /nfs/dbraw/zinc/24/01/34/648240134.db2.gz HQEMHZGGAJTLRJ-MRXNPFEDSA-N 1 0 395.345 2.255 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417366567 648241034 /nfs/dbraw/zinc/24/10/34/648241034.db2.gz PABAJEMNWDYJLV-UHFFFAOYSA-N 1 0 383.334 2.160 20 0 GEADRO COc1cc(CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc(Br)c1OC ZINC000417376768 648242058 /nfs/dbraw/zinc/24/20/58/648242058.db2.gz OPADWOONNVQKAA-QWRGUYRKSA-N 1 0 386.290 2.358 20 0 GEADRO COc1cc(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc(Br)c1OC ZINC000417380795 648242365 /nfs/dbraw/zinc/24/23/65/648242365.db2.gz VGAAPSXQQGKGCU-CMPLNLGQSA-N 1 0 386.290 2.345 20 0 GEADRO C[C@H]1CN(C(=O)NCCc2ccc(I)s2)CC[C@H]1[NH3+] ZINC000417434694 648244923 /nfs/dbraw/zinc/24/49/23/648244923.db2.gz AERURDGIUXDFIO-GXSJLCMTSA-N 1 0 393.294 2.274 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1ccc(I)s1 ZINC000417435076 648245482 /nfs/dbraw/zinc/24/54/82/648245482.db2.gz BGCQUKFAOQLUQR-JTQLQIEISA-N 1 0 393.294 2.289 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417439490 648246215 /nfs/dbraw/zinc/24/62/15/648246215.db2.gz WDNAWYMTXIARKC-OAHLLOKOSA-N 1 0 397.317 2.092 20 0 GEADRO CC1(NC(=O)NCCc2ccc(I)s2)CC[NH2+]CC1 ZINC000417441752 648246333 /nfs/dbraw/zinc/24/63/33/648246333.db2.gz RFFOUZYDXXSHIR-UHFFFAOYSA-N 1 0 393.294 2.337 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417439485 648246359 /nfs/dbraw/zinc/24/63/59/648246359.db2.gz WDNAWYMTXIARKC-HNNXBMFYSA-N 1 0 397.317 2.092 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417478412 648248221 /nfs/dbraw/zinc/24/82/21/648248221.db2.gz IBUHKGLVQZHGMH-XPKDYRNWSA-N 1 0 381.318 2.325 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000417480031 648248522 /nfs/dbraw/zinc/24/85/22/648248522.db2.gz FRXMVJUEHIHHLX-STQMWFEESA-N 1 0 397.317 2.478 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417486278 648249861 /nfs/dbraw/zinc/24/98/61/648249861.db2.gz MKCCCHXSJCWCHN-HUUCEWRRSA-N 1 0 397.317 2.138 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000417485809 648249992 /nfs/dbraw/zinc/24/99/92/648249992.db2.gz LYCSIRZHTKREJJ-DGCLKSJQSA-N 1 0 383.290 2.075 20 0 GEADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)N(CC[NH3+])CCO ZINC000417517207 648250986 /nfs/dbraw/zinc/25/09/86/648250986.db2.gz IQCXXGXTUSAFFD-IINYFYTJSA-N 1 0 388.331 2.195 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417604280 648256091 /nfs/dbraw/zinc/25/60/91/648256091.db2.gz UJORIUFGZBYWMI-DYVFJYSZSA-N 1 0 381.318 2.408 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCCc2ccc(Br)cc2F)CCCO1 ZINC000417678987 648257904 /nfs/dbraw/zinc/25/79/04/648257904.db2.gz KQPBSFPXFLRJRR-AWEZNQCLSA-N 1 0 388.281 2.280 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417718817 648258356 /nfs/dbraw/zinc/25/83/56/648258356.db2.gz CATFTGIHXYPVEH-NSHDSACASA-N 1 0 393.289 2.033 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417717185 648258404 /nfs/dbraw/zinc/25/84/04/648258404.db2.gz APRNDTSPHHOWPV-ZDUSSCGKSA-N 1 0 395.305 2.407 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417720071 648258884 /nfs/dbraw/zinc/25/88/84/648258884.db2.gz DJCMGNYJSWPMPY-GXFFZTMASA-N 1 0 393.289 2.031 20 0 GEADRO C[C@H]1CN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H](C)C[NH2+]1 ZINC000417742190 648260802 /nfs/dbraw/zinc/26/08/02/648260802.db2.gz ZSSUEIKEXGOBAO-QWRGUYRKSA-N 1 0 393.289 2.126 20 0 GEADRO C[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)Oc1ccccc1Br ZINC000417821249 648262464 /nfs/dbraw/zinc/26/24/64/648262464.db2.gz IIXGPTBJEIPNHF-GXSJLCMTSA-N 1 0 380.233 2.498 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883614 648264458 /nfs/dbraw/zinc/26/44/58/648264458.db2.gz FNHSMCWGGRABKU-UWVGGRQHSA-N 1 0 382.262 2.454 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417892356 648265139 /nfs/dbraw/zinc/26/51/39/648265139.db2.gz MATANDFRIVNKGD-SKDRFNHKSA-N 1 0 380.246 2.303 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000417895300 648265205 /nfs/dbraw/zinc/26/52/05/648265205.db2.gz URADIBNZBGUQCR-OAHLLOKOSA-N 1 0 381.318 2.156 20 0 GEADRO CC(C)(CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1Br ZINC000417914169 648266035 /nfs/dbraw/zinc/26/60/35/648266035.db2.gz RSXDGXYWMRTXQN-ZDUSSCGKSA-N 1 0 384.318 2.486 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417908405 648266068 /nfs/dbraw/zinc/26/60/68/648266068.db2.gz IHLGCHDIRNAZKF-HNNXBMFYSA-N 1 0 399.333 2.068 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cc(C)nn2C)c1 ZINC000417905474 648266095 /nfs/dbraw/zinc/26/60/95/648266095.db2.gz YEXFPPBSPSHWCX-UHFFFAOYSA-N 1 0 395.301 2.409 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[NH2+][C@H](C)C3)nc12 ZINC000417996072 648268601 /nfs/dbraw/zinc/26/86/01/648268601.db2.gz BDBGVRNQZVKUNM-YPMHNXCESA-N 1 0 380.290 2.345 20 0 GEADRO [NH3+]CCN(CCO)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000417996571 648268730 /nfs/dbraw/zinc/26/87/30/648268730.db2.gz BSRLBHUEQMEDGP-LBPRGKRZSA-N 1 0 398.223 2.405 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418007183 648269009 /nfs/dbraw/zinc/26/90/09/648269009.db2.gz QASRHRZPVRQIAW-IUODEOHRSA-N 1 0 385.295 2.492 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418006658 648269112 /nfs/dbraw/zinc/26/91/12/648269112.db2.gz PMKWNLRXKAVVNV-PBHICJAKSA-N 1 0 385.295 2.479 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418014878 648269484 /nfs/dbraw/zinc/26/94/84/648269484.db2.gz PDOAOSZMBJWXAJ-IUODEOHRSA-N 1 0 397.317 2.160 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)NC(C)(C)C[NH3+])C2=O)ccc1Br ZINC000418017229 648270503 /nfs/dbraw/zinc/27/05/03/648270503.db2.gz SKHIFNSNKQHDNE-AWEZNQCLSA-N 1 0 397.317 2.289 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[NH2+]C[C@H]3C)nc12 ZINC000418019897 648271445 /nfs/dbraw/zinc/27/14/45/648271445.db2.gz MAGDSAVMVVXUHN-RISCZKNCSA-N 1 0 380.290 2.202 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)CCCO1 ZINC000418026178 648271643 /nfs/dbraw/zinc/27/16/43/648271643.db2.gz FRPJWUYZGISDJH-CQSZACIVSA-N 1 0 381.274 2.190 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000418029674 648272099 /nfs/dbraw/zinc/27/20/99/648272099.db2.gz LNWWGXUZBHUTSU-USXIJHARSA-N 1 0 396.329 2.040 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC([NH3+])CC3)nc12 ZINC000418026549 648272139 /nfs/dbraw/zinc/27/21/39/648272139.db2.gz VZWKVDPZXACYGP-UHFFFAOYSA-N 1 0 380.290 2.080 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000418036077 648272912 /nfs/dbraw/zinc/27/29/12/648272912.db2.gz VLQIFBCSMVZTHU-IRXDYDNUSA-N 1 0 396.329 2.448 20 0 GEADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NCC1C[NH2+]C1 ZINC000418039043 648273118 /nfs/dbraw/zinc/27/31/18/648273118.db2.gz ZIRDZKOSQYHKDO-INIZCTEOSA-N 1 0 384.318 2.305 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)s1 ZINC000418053125 648273756 /nfs/dbraw/zinc/27/37/56/648273756.db2.gz BJYMHILUTRDICR-NEPJUHHUSA-N 1 0 387.347 2.261 20 0 GEADRO C[C@@H](CCCC(F)(F)F)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418061467 648274262 /nfs/dbraw/zinc/27/42/62/648274262.db2.gz ATRGKSLDZGWVNJ-QWRGUYRKSA-N 1 0 378.361 2.243 20 0 GEADRO CCn1c(CNC(=O)N[C@H](C[NH3+])C2CC2)nc2cc(Br)ccc21 ZINC000418069530 648274886 /nfs/dbraw/zinc/27/48/86/648274886.db2.gz ROBBXPRLNHPFNS-CYBMUJFWSA-N 1 0 380.290 2.355 20 0 GEADRO CCn1c(CNC(=O)NC[C@@H]([NH3+])C2CC2)nc2cc(Br)ccc21 ZINC000418070525 648275008 /nfs/dbraw/zinc/27/50/08/648275008.db2.gz UMCSJGPMEHSOJF-GFCCVEGCSA-N 1 0 380.290 2.355 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418074843 648275479 /nfs/dbraw/zinc/27/54/79/648275479.db2.gz DHEIDDUIIGDFCW-SMDDNHRTSA-N 1 0 385.295 2.479 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081723 648276088 /nfs/dbraw/zinc/27/60/88/648276088.db2.gz ORNZRRJTIXUOAD-SUNKGSAMSA-N 1 0 385.295 2.477 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(Cl)cc2I)C1 ZINC000418088163 648277965 /nfs/dbraw/zinc/27/79/65/648277965.db2.gz JNZVTRUFXGVAOD-NSHDSACASA-N 1 0 393.656 2.448 20 0 GEADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N1CCC[NH2+]CC1 ZINC000418092136 648278250 /nfs/dbraw/zinc/27/82/50/648278250.db2.gz QSTATDMCEJQPLZ-UHFFFAOYSA-N 1 0 378.274 2.140 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418095471 648279199 /nfs/dbraw/zinc/27/91/99/648279199.db2.gz JEZQQLULFHAERD-OAHLLOKOSA-N 1 0 381.318 2.469 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418095433 648279205 /nfs/dbraw/zinc/27/92/05/648279205.db2.gz VXAVCNMWOBFFPJ-AWEZNQCLSA-N 1 0 397.317 2.181 20 0 GEADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418101605 648280004 /nfs/dbraw/zinc/28/00/04/648280004.db2.gz QHEPVPBNXRJLDN-YJBOKZPZSA-N 1 0 393.329 2.423 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418106924 648280526 /nfs/dbraw/zinc/28/05/26/648280526.db2.gz YKWPNGAVGASEFB-YDHLFZDLSA-N 1 0 381.318 2.407 20 0 GEADRO OC[C@H]([NH2+]Cc1ccc(F)cc1I)[C@@H]1CCCOC1 ZINC000418106437 648280597 /nfs/dbraw/zinc/28/05/97/648280597.db2.gz XGJVSIZAWVHHRG-RISCZKNCSA-N 1 0 379.213 2.307 20 0 GEADRO C[C@H](C[NH3+])NC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418109921 648280991 /nfs/dbraw/zinc/28/09/91/648280991.db2.gz AXGSKLFGEDCWDB-WDEREUQCSA-N 1 0 375.254 2.259 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N[C@@H](C)C[NH3+] ZINC000418109919 648280993 /nfs/dbraw/zinc/28/09/93/648280993.db2.gz AXGSKLFGEDCWDB-MNOVXSKESA-N 1 0 375.254 2.259 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccc(I)cc2Cl)CC[NH2+]1 ZINC000418120549 648282507 /nfs/dbraw/zinc/28/25/07/648282507.db2.gz IAMAKMBROSTZIH-SECBINFHSA-N 1 0 393.656 2.448 20 0 GEADRO [NH3+]CCCCNC(=O)NCc1ccc(I)cc1Cl ZINC000418128329 648283324 /nfs/dbraw/zinc/28/33/24/648283324.db2.gz SKPRIMFOPIRSPT-UHFFFAOYSA-N 1 0 381.645 2.483 20 0 GEADRO COc1cc(I)c(Cl)cc1CNC(=O)N[C@H](C)C[NH3+] ZINC000418128349 648283361 /nfs/dbraw/zinc/28/33/61/648283361.db2.gz SMTCWYPWAYLIKT-SSDOTTSWSA-N 1 0 397.644 2.100 20 0 GEADRO COCC[NH2+]CCNC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418131522 648283653 /nfs/dbraw/zinc/28/36/53/648283653.db2.gz WPFJJDAVSJIAEY-JOCQHMNTSA-N 1 0 388.281 2.369 20 0 GEADRO O=C(NCc1ccc(Cl)cc1F)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418132610 648283780 /nfs/dbraw/zinc/28/37/80/648283780.db2.gz DXJTWXZLPGEXDQ-ZDUSSCGKSA-N 1 0 382.789 2.114 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1I ZINC000418137929 648284264 /nfs/dbraw/zinc/28/42/64/648284264.db2.gz FMHYJSZNFVXDPL-UONOGXRCSA-N 1 0 399.276 2.351 20 0 GEADRO COC[C@@]1(CNC(=O)NCc2ccc(Br)cc2OC)CCC[NH2+]1 ZINC000418143697 648284613 /nfs/dbraw/zinc/28/46/13/648284613.db2.gz MPXDKTGOWQCJMN-INIZCTEOSA-N 1 0 386.290 2.026 20 0 GEADRO Cc1cc(CNC(=O)NCC2=CC[NH2+]CC2)ccc1I ZINC000418144707 648285161 /nfs/dbraw/zinc/28/51/61/648285161.db2.gz UWNWHSUMEISXMO-UHFFFAOYSA-N 1 0 385.249 2.319 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1I ZINC000418144490 648285207 /nfs/dbraw/zinc/28/52/07/648285207.db2.gz UFKSOLUWWBZNEH-HIFRSBDPSA-N 1 0 399.276 2.493 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000418150446 648285473 /nfs/dbraw/zinc/28/54/73/648285473.db2.gz FSQDPMSKAWAHEG-MRVPVSSYSA-N 1 0 381.645 2.433 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000418153584 648285503 /nfs/dbraw/zinc/28/55/03/648285503.db2.gz VCOUAGYTZOZOEX-ZIAGYGMSSA-N 1 0 386.290 2.105 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000418168205 648286312 /nfs/dbraw/zinc/28/63/12/648286312.db2.gz WHEBQFITKUMJQP-SNVBAGLBSA-N 1 0 393.656 2.448 20 0 GEADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCn1cc(Br)cn1 ZINC000418174070 648286657 /nfs/dbraw/zinc/28/66/57/648286657.db2.gz DABRKJXLTSHUNR-OAHLLOKOSA-N 1 0 380.290 2.207 20 0 GEADRO C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000418184941 648287085 /nfs/dbraw/zinc/28/70/85/648287085.db2.gz OBBSXRWDPPWEPB-GFCCVEGCSA-N 1 0 387.297 2.244 20 0 GEADRO CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418218298 648287830 /nfs/dbraw/zinc/28/78/30/648287830.db2.gz QOWVGZYZDNYDCE-UKRRQHHQSA-N 1 0 382.302 2.442 20 0 GEADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000418228927 648288413 /nfs/dbraw/zinc/28/84/13/648288413.db2.gz FUUFAVWXWBTHCZ-CQSZACIVSA-N 1 0 387.933 2.193 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1c(Br)cncc1Br ZINC000418241375 648289880 /nfs/dbraw/zinc/28/98/80/648289880.db2.gz SQJFVYLJHTZVGB-BQBZGAKWSA-N 1 0 380.084 2.142 20 0 GEADRO C[NH2+]CCCNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418280391 648290634 /nfs/dbraw/zinc/29/06/34/648290634.db2.gz RTVVBNYOGUFUJI-LBPRGKRZSA-N 1 0 398.223 2.410 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)NC1(Cc2ccccc2Br)CC1 ZINC000418284707 648290713 /nfs/dbraw/zinc/29/07/13/648290713.db2.gz CPDRKIJWJOEBJJ-UHFFFAOYSA-N 1 0 395.345 2.119 20 0 GEADRO Cc1cc(CC(C)(C)NC(=O)NCCN2CC[NH2+]CC2)ccc1Br ZINC000418293218 648291139 /nfs/dbraw/zinc/29/11/39/648291139.db2.gz FDMHGAQTVGIOFF-UHFFFAOYSA-N 1 0 397.361 2.283 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418297050 648291570 /nfs/dbraw/zinc/29/15/70/648291570.db2.gz HMRDCAOANFESFR-LBPRGKRZSA-N 1 0 376.284 2.174 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000418311749 648292449 /nfs/dbraw/zinc/29/24/49/648292449.db2.gz GCLZEFIVADJCRD-CVEARBPZSA-N 1 0 398.345 2.207 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)N(CCO)Cc1cc(Br)cs1 ZINC000418331515 648293385 /nfs/dbraw/zinc/29/33/85/648293385.db2.gz DRFAZCXIOIXKGM-NSHDSACASA-N 1 0 376.320 2.014 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N(CCO)Cc1cc(Br)cs1 ZINC000418355794 648294490 /nfs/dbraw/zinc/29/44/90/648294490.db2.gz XJWDKHABXPUREV-LBPRGKRZSA-N 1 0 390.347 2.404 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418381353 648295372 /nfs/dbraw/zinc/29/53/72/648295372.db2.gz KYJAZWDOLAWZNV-CQSZACIVSA-N 1 0 399.308 2.167 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418384778 648295761 /nfs/dbraw/zinc/29/57/61/648295761.db2.gz OOHDAUHYTYNFOQ-UONOGXRCSA-N 1 0 385.249 2.500 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418384476 648295774 /nfs/dbraw/zinc/29/57/74/648295774.db2.gz OOHDAUHYTYNFOQ-KBPBESRZSA-N 1 0 385.249 2.500 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418405357 648296898 /nfs/dbraw/zinc/29/68/98/648296898.db2.gz KYNFDIMJUIYVBZ-CZUORRHYSA-N 1 0 386.334 2.191 20 0 GEADRO O=C(NCC1C[NH2+]C1)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000418480649 648297437 /nfs/dbraw/zinc/29/74/37/648297437.db2.gz BZQVAPOBLNKXTP-ZDUSSCGKSA-N 1 0 399.276 2.085 20 0 GEADRO [NH3+][C@H](CNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000418499968 648298821 /nfs/dbraw/zinc/29/88/21/648298821.db2.gz OTAUQMMYBLWQEN-OAHLLOKOSA-N 1 0 385.295 2.198 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NCC2([NH3+])CCC2)cc1Br ZINC000418505744 648299204 /nfs/dbraw/zinc/29/92/04/648299204.db2.gz DPJYYHWGPGKHNF-CQSZACIVSA-N 1 0 384.318 2.089 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418538679 648300936 /nfs/dbraw/zinc/30/09/36/648300936.db2.gz DXSVWBPFQIXZGE-GFCCVEGCSA-N 1 0 384.278 2.188 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)N(CCO)Cc1ccc(Br)s1 ZINC000418556217 648301458 /nfs/dbraw/zinc/30/14/58/648301458.db2.gz XONXNIADLJCOTN-LLVKDONJSA-N 1 0 376.320 2.157 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418569077 648301833 /nfs/dbraw/zinc/30/18/33/648301833.db2.gz PHBSSDBSOQHNIQ-NSHDSACASA-N 1 0 383.290 2.156 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)C1CCCC1 ZINC000418625889 648305672 /nfs/dbraw/zinc/30/56/72/648305672.db2.gz RCRCJGAKGPNMMV-CABCVRRESA-N 1 0 388.281 2.438 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)NC[C@H](CO)Cc1ccccc1Br ZINC000418638385 648306079 /nfs/dbraw/zinc/30/60/79/648306079.db2.gz KSLPSYKWCWEBDX-OAHLLOKOSA-N 1 0 396.329 2.209 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H](CCO)c1ccccc1Br ZINC000418644249 648306122 /nfs/dbraw/zinc/30/61/22/648306122.db2.gz PYBXVLPDFPZVJT-INIZCTEOSA-N 1 0 382.302 2.482 20 0 GEADRO O=C(CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Nc1cccc(Br)c1 ZINC000418657887 648306462 /nfs/dbraw/zinc/30/64/62/648306462.db2.gz IRCCDKAQACQGSH-LSDHHAIUSA-N 1 0 395.301 2.075 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000418673631 648306929 /nfs/dbraw/zinc/30/69/29/648306929.db2.gz OJAMQPALIWFSKL-QWHCGFSZSA-N 1 0 388.306 2.006 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000418717476 648308430 /nfs/dbraw/zinc/30/84/30/648308430.db2.gz JRVZCDSMSSZAIH-XJKSGUPXSA-N 1 0 384.318 2.471 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC000418730568 648308746 /nfs/dbraw/zinc/30/87/46/648308746.db2.gz SMYVUHGNEYPESG-HLLBOEOZSA-N 1 0 398.345 2.417 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418753529 648309099 /nfs/dbraw/zinc/30/90/99/648309099.db2.gz ASNYZALOSOSQAE-GOEBONIOSA-N 1 0 377.897 2.475 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N(CCO)Cc1cc(Br)cs1 ZINC000418751100 648309211 /nfs/dbraw/zinc/30/92/11/648309211.db2.gz FEVDUDSMGMFITM-LLVKDONJSA-N 1 0 398.273 2.012 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1)C1CC1 ZINC000418754782 648309627 /nfs/dbraw/zinc/30/96/27/648309627.db2.gz CBAUHXNPQHXBOF-ZBFHGGJFSA-N 1 0 377.897 2.461 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1)C1CC1 ZINC000418754779 648309712 /nfs/dbraw/zinc/30/97/12/648309712.db2.gz CBAUHXNPQHXBOF-HOCLYGCPSA-N 1 0 377.897 2.461 20 0 GEADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418765205 648310584 /nfs/dbraw/zinc/31/05/84/648310584.db2.gz PEKSSNJVABNYPC-BLLLJJGKSA-N 1 0 377.897 2.333 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418762971 648310636 /nfs/dbraw/zinc/31/06/36/648310636.db2.gz MLDQBRGYDBCOMB-MLGOLLRUSA-N 1 0 377.897 2.427 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000418768420 648310893 /nfs/dbraw/zinc/31/08/93/648310893.db2.gz SBAMNIRIYMYDPI-GUYCJALGSA-N 1 0 376.551 2.370 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cccc(Cl)c3Cl)C[C@H]21 ZINC000418766673 648310900 /nfs/dbraw/zinc/31/09/00/648310900.db2.gz RCLRKNLAPZYXBV-UMVBOHGHSA-N 1 0 384.307 2.238 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H](CO)Cc1ccccc1Br ZINC000418766906 648310928 /nfs/dbraw/zinc/31/09/28/648310928.db2.gz KUOXSPJGEQRLLK-GDBMZVCRSA-N 1 0 398.345 2.432 20 0 GEADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418791477 648313004 /nfs/dbraw/zinc/31/30/04/648313004.db2.gz MVJIJTBPLJGBSM-CLWVCHIJSA-N 1 0 382.302 2.170 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418797750 648313116 /nfs/dbraw/zinc/31/31/16/648313116.db2.gz VAXTWWZHRUHVAP-GRYCIOLGSA-N 1 0 376.284 2.160 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000418811626 648313577 /nfs/dbraw/zinc/31/35/77/648313577.db2.gz ANTKLWZVKUHSCJ-TWINXVHLSA-N 1 0 384.307 2.470 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418815632 648314040 /nfs/dbraw/zinc/31/40/40/648314040.db2.gz IYWYUUUBYFUIFO-IARCWEKQSA-N 1 0 382.291 2.365 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418820605 648314372 /nfs/dbraw/zinc/31/43/72/648314372.db2.gz SPJIHVIFZFEBEL-TWINXVHLSA-N 1 0 382.291 2.033 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418823625 648314776 /nfs/dbraw/zinc/31/47/76/648314776.db2.gz YJDNKIQBCDJOMM-DIOULYMOSA-N 1 0 384.307 2.471 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@H]1C[NH3+] ZINC000418832759 648315451 /nfs/dbraw/zinc/31/54/51/648315451.db2.gz QAZJVPLGXSUHHF-JMGFVUJMSA-N 1 0 394.313 2.007 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000418834635 648315670 /nfs/dbraw/zinc/31/56/70/648315670.db2.gz OXBXLKDCDBARAE-KSYCFECVSA-N 1 0 394.313 2.007 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418835867 648315829 /nfs/dbraw/zinc/31/58/29/648315829.db2.gz UDRXKDUPGIPJTR-OSAQELSMSA-N 1 0 382.302 2.055 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418839854 648316211 /nfs/dbraw/zinc/31/62/11/648316211.db2.gz DFIAAXYHYBTCME-KBPBESRZSA-N 1 0 396.329 2.002 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000418842201 648316697 /nfs/dbraw/zinc/31/66/97/648316697.db2.gz HZRLALNUNUQGTG-XJKSGUPXSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418846504 648316918 /nfs/dbraw/zinc/31/69/18/648316918.db2.gz RVZLGDHUQRMWFZ-NFAWXSAZSA-N 1 0 396.329 2.001 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC000418849421 648317486 /nfs/dbraw/zinc/31/74/86/648317486.db2.gz ASMAFCAWSIBZTH-ZFWWWQNUSA-N 1 0 386.323 2.402 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000418856528 648318528 /nfs/dbraw/zinc/31/85/28/648318528.db2.gz XBTPUUOJVZGMRL-CYZMBNFOSA-N 1 0 388.295 2.135 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cn1)C1CC[NH2+]CC1 ZINC000418866520 648319556 /nfs/dbraw/zinc/31/95/56/648319556.db2.gz NEENXYMAEPLMBU-GFCCVEGCSA-N 1 0 397.317 2.012 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Br)cc1 ZINC000418867924 648320032 /nfs/dbraw/zinc/32/00/32/648320032.db2.gz PZPCOWWSPDXZBB-XTBFLFJDSA-N 1 0 394.313 2.212 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000418872801 648320185 /nfs/dbraw/zinc/32/01/85/648320185.db2.gz WZCLZVFELWBKEH-JMSVASOKSA-N 1 0 382.302 2.355 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000418872480 648320265 /nfs/dbraw/zinc/32/02/65/648320265.db2.gz WQQMNXHDXOSCQA-SJKOYZFVSA-N 1 0 382.302 2.132 20 0 GEADRO O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418887848 648321015 /nfs/dbraw/zinc/32/10/15/648321015.db2.gz DXXMFKLOKFRIRF-ZSZSROOQSA-N 1 0 382.291 2.033 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418892455 648321755 /nfs/dbraw/zinc/32/17/55/648321755.db2.gz NYQMZNOYLNRSAO-MRVWCRGKSA-N 1 0 384.307 2.471 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418897657 648322128 /nfs/dbraw/zinc/32/21/28/648322128.db2.gz XJUBEEHVMVYMJD-SDPXSBNPSA-N 1 0 384.307 2.470 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418940729 648323279 /nfs/dbraw/zinc/32/32/79/648323279.db2.gz UCDNZGAMUNFKDC-INIZCTEOSA-N 1 0 394.313 2.056 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418942016 648323402 /nfs/dbraw/zinc/32/34/02/648323402.db2.gz LHUJWADWSFOVHZ-BLLLJJGKSA-N 1 0 394.313 2.140 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000418947542 648323925 /nfs/dbraw/zinc/32/39/25/648323925.db2.gz BAXWUVHKADOUFG-GPCCPHFNSA-N 1 0 388.295 2.400 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418947824 648323999 /nfs/dbraw/zinc/32/39/99/648323999.db2.gz AGIBZDONCALTOM-UHFFFAOYSA-N 1 0 385.295 2.201 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418948282 648324088 /nfs/dbraw/zinc/32/40/88/648324088.db2.gz QCJJSUKGERGOAR-MLGOLLRUSA-N 1 0 394.313 2.227 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000418948737 648324541 /nfs/dbraw/zinc/32/45/41/648324541.db2.gz QOFQVMLRYQFUCQ-JKSUJKDBSA-N 1 0 394.313 2.260 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418949148 648324583 /nfs/dbraw/zinc/32/45/83/648324583.db2.gz RDSWBMIRXSQUCJ-XHDPSFHLSA-N 1 0 382.302 2.118 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000418953358 648324857 /nfs/dbraw/zinc/32/48/57/648324857.db2.gz ZXAKFOQGOVJBBJ-ZBEGNZNMSA-N 1 0 394.313 2.138 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000418953578 648325137 /nfs/dbraw/zinc/32/51/37/648325137.db2.gz WSQAWRGULTVPIY-CVEARBPZSA-N 1 0 394.313 2.260 20 0 GEADRO CO[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000418954578 648325198 /nfs/dbraw/zinc/32/51/98/648325198.db2.gz OIRAGWRFMUSCCM-UHTWSYAYSA-N 1 0 388.295 2.135 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418960276 648325720 /nfs/dbraw/zinc/32/57/20/648325720.db2.gz CNBBBZTTZMXKOY-JTQLQIEISA-N 1 0 385.295 2.105 20 0 GEADRO Cc1sc([C@H](C)NC(=O)C(=O)N(C)CC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000418975585 648326588 /nfs/dbraw/zinc/32/65/88/648326588.db2.gz SZQXVMLSUBAFQD-JTQLQIEISA-N 1 0 380.901 2.366 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419021410 648328071 /nfs/dbraw/zinc/32/80/71/648328071.db2.gz MBQRAOYVCYGELF-FZKQIMNGSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419028203 648328707 /nfs/dbraw/zinc/32/87/07/648328707.db2.gz WNYASQJOYPZBOA-ZDUSSCGKSA-N 1 0 398.345 2.330 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419051377 648330480 /nfs/dbraw/zinc/33/04/80/648330480.db2.gz GDPJFRGJALTUDO-WWGRRREGSA-N 1 0 396.329 2.225 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419051379 648330521 /nfs/dbraw/zinc/33/05/21/648330521.db2.gz GDPJFRGJALTUDO-XJKCOSOUSA-N 1 0 396.329 2.225 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419055195 648331173 /nfs/dbraw/zinc/33/11/73/648331173.db2.gz NPUGIHLRHDPVQW-OAHLLOKOSA-N 1 0 396.329 2.084 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419067701 648332117 /nfs/dbraw/zinc/33/21/17/648332117.db2.gz RXWUUUBFVJQJBO-LSDHHAIUSA-N 1 0 396.329 2.145 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)[C@@H]1CCC[NH2+]C1 ZINC000419094966 648333720 /nfs/dbraw/zinc/33/37/20/648333720.db2.gz BWFKHACROZRMSQ-GHMZBOCLSA-N 1 0 380.901 2.070 20 0 GEADRO O=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419132573 648336121 /nfs/dbraw/zinc/33/61/21/648336121.db2.gz FAMDHKFHZZRCHV-CYBMUJFWSA-N 1 0 384.307 2.400 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ccccc1Br)C1CCCCC1 ZINC000419143415 648337007 /nfs/dbraw/zinc/33/70/07/648337007.db2.gz HZIRCIPSYQICGF-HNNXBMFYSA-N 1 0 382.302 2.089 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000419152586 648337623 /nfs/dbraw/zinc/33/76/23/648337623.db2.gz OQZZMHDYMNQETE-SGMGOOAPSA-N 1 0 382.302 2.070 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)C[C@H]21 ZINC000419155380 648337947 /nfs/dbraw/zinc/33/79/47/648337947.db2.gz SVSSMAFEWZZGTL-APHBMKBZSA-N 1 0 384.307 2.238 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCc1ccsc1Br ZINC000419179381 648339614 /nfs/dbraw/zinc/33/96/14/648339614.db2.gz ILHCHLBCUCCTFK-NSHDSACASA-N 1 0 388.331 2.021 20 0 GEADRO O=C(NCc1ccsc1Br)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419177693 648339805 /nfs/dbraw/zinc/33/98/05/648339805.db2.gz FBRQLYVGGYJMGF-UHFFFAOYSA-N 1 0 394.294 2.046 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1ccc(Br)cc1)C1CCCCC1 ZINC000419186486 648340324 /nfs/dbraw/zinc/34/03/24/648340324.db2.gz IJFGRKPDBADQGO-MRXNPFEDSA-N 1 0 396.329 2.132 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Br ZINC000419184219 648340335 /nfs/dbraw/zinc/34/03/35/648340335.db2.gz JONCQEXDROSPPG-CHWSQXEVSA-N 1 0 396.329 2.229 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1Br ZINC000419195052 648341077 /nfs/dbraw/zinc/34/10/77/648341077.db2.gz XMGFJOFDEIPQNX-SFHVURJKSA-N 1 0 396.329 2.040 20 0 GEADRO CC[C@@H](C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1)OC ZINC000419208437 648341803 /nfs/dbraw/zinc/34/18/03/648341803.db2.gz AGQPXKVVBCHDOO-INIZCTEOSA-N 1 0 384.318 2.430 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000419286028 648344539 /nfs/dbraw/zinc/34/45/39/648344539.db2.gz NOPFGYFYYWPJBM-QWHCGFSZSA-N 1 0 382.302 2.132 20 0 GEADRO O=C(NCc1csc(Br)c1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419290312 648344787 /nfs/dbraw/zinc/34/47/87/648344787.db2.gz VIHMKKUTWHHAHT-UHFFFAOYSA-N 1 0 394.294 2.046 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000419320408 648346530 /nfs/dbraw/zinc/34/65/30/648346530.db2.gz DRORSRTWXLMJGF-UONOGXRCSA-N 1 0 388.339 2.339 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000419355259 648349949 /nfs/dbraw/zinc/34/99/49/648349949.db2.gz GAJIZLRPYHWDHK-GFCCVEGCSA-N 1 0 386.323 2.455 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419466350 648353263 /nfs/dbraw/zinc/35/32/63/648353263.db2.gz VOYSEQFYZZTURX-CYBMUJFWSA-N 1 0 396.329 2.087 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419463342 648353583 /nfs/dbraw/zinc/35/35/83/648353583.db2.gz OTEBGBPRSXHRAE-UHFFFAOYSA-N 1 0 396.329 2.231 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1Br ZINC000419505783 648355185 /nfs/dbraw/zinc/35/51/85/648355185.db2.gz KYBWPLRARUISLH-KBPBESRZSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000419513841 648355725 /nfs/dbraw/zinc/35/57/25/648355725.db2.gz GFFFRBBBBVIWPG-JHJVBQTASA-N 1 0 384.307 2.281 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H]1CCc2c1cccc2Br)[C@H]1CC[NH2+]C1 ZINC000419584069 648356689 /nfs/dbraw/zinc/35/66/89/648356689.db2.gz IBQYMQFCKHDXCQ-LRDDRELGSA-N 1 0 394.313 2.153 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000419585627 648357067 /nfs/dbraw/zinc/35/70/67/648357067.db2.gz GKQSRZTYTFUBNO-LBPRGKRZSA-N 1 0 386.323 2.499 20 0 GEADRO CC1(CNC(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000419594600 648357858 /nfs/dbraw/zinc/35/78/58/648357858.db2.gz ZRGMEYBOSMIEBV-OAHLLOKOSA-N 1 0 394.313 2.059 20 0 GEADRO CCCN(C(=O)C(=O)NCc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000419624708 648358485 /nfs/dbraw/zinc/35/84/85/648358485.db2.gz ABGOFYCBDSNTBM-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419643791 648359370 /nfs/dbraw/zinc/35/93/70/648359370.db2.gz XDYASWZXWZNKTH-WCABBAIRSA-N 1 0 376.309 2.175 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(Br)s1 ZINC000419674462 648362659 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C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000419714519 648370089 /nfs/dbraw/zinc/37/00/89/648370089.db2.gz SYCGGVMIYZFLGA-MXWKQRLJSA-N 1 0 388.331 2.416 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])c1ccc(Br)s1 ZINC000419714517 648370111 /nfs/dbraw/zinc/37/01/11/648370111.db2.gz SYCGGVMIYZFLGA-HBNTYKKESA-N 1 0 388.331 2.416 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000419719103 648370945 /nfs/dbraw/zinc/37/09/45/648370945.db2.gz WXJIPLBBLJGRDV-NXEZZACHSA-N 1 0 376.320 2.177 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1Cl ZINC000419748760 648374390 /nfs/dbraw/zinc/37/43/90/648374390.db2.gz PBINWCDGPGGFCS-ZDUSSCGKSA-N 1 0 383.876 2.495 20 0 GEADRO CO[C@](C)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000419753477 648374851 /nfs/dbraw/zinc/37/48/51/648374851.db2.gz YNTSKYCAAAXYGA-CQSZACIVSA-N 1 0 377.304 2.001 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC[NH2+]1 ZINC000419763735 648376450 /nfs/dbraw/zinc/37/64/50/648376450.db2.gz VEPQMQGCABBICZ-MRVPVSSYSA-N 1 0 396.221 2.031 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)c1cc(F)cc(Br)c1 ZINC000419771850 648377362 /nfs/dbraw/zinc/37/73/62/648377362.db2.gz FYXXXOJVTQGSBT-CQSZACIVSA-N 1 0 386.265 2.105 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](CC)c1cc(F)cc(Br)c1 ZINC000419776469 648377792 /nfs/dbraw/zinc/37/77/92/648377792.db2.gz KSLVMKDRNKQWAJ-YGRLFVJLSA-N 1 0 388.281 2.270 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)C1 ZINC000419778837 648377873 /nfs/dbraw/zinc/37/78/73/648377873.db2.gz MTVFYSDEPOJRNA-HUUCEWRRSA-N 1 0 398.276 2.105 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000419801119 648379474 /nfs/dbraw/zinc/37/94/74/648379474.db2.gz APMHQUDIXJDUNU-SWLSCSKDSA-N 1 0 396.329 2.039 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000419809098 648381059 /nfs/dbraw/zinc/38/10/59/648381059.db2.gz HGFAQVJDVFHASU-UHFFFAOYSA-N 1 0 379.766 2.388 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419819574 648381750 /nfs/dbraw/zinc/38/17/50/648381750.db2.gz MDBPDXBTPLTDIS-ZDUSSCGKSA-N 1 0 396.329 2.274 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3cccc(Br)c3C2)CCCCC1 ZINC000419819993 648381955 /nfs/dbraw/zinc/38/19/55/648381955.db2.gz NQHXVDQASHMWIE-UHFFFAOYSA-N 1 0 394.313 2.112 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419824242 648382367 /nfs/dbraw/zinc/38/23/67/648382367.db2.gz PKBIXGGDYGECFL-LRDDRELGSA-N 1 0 396.329 2.130 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000419828537 648383084 /nfs/dbraw/zinc/38/30/84/648383084.db2.gz SABZTWMOLLWJPM-LBPRGKRZSA-N 1 0 384.318 2.130 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000419834214 648383771 /nfs/dbraw/zinc/38/37/71/648383771.db2.gz WWENKYFZCZVEMV-QWHCGFSZSA-N 1 0 396.329 2.082 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000419836740 648384106 /nfs/dbraw/zinc/38/41/06/648384106.db2.gz CCGTYCHEQZXTMD-HUUCEWRRSA-N 1 0 398.276 2.120 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419835857 648384171 /nfs/dbraw/zinc/38/41/71/648384171.db2.gz WVFJQWMFPRKFAQ-CYBMUJFWSA-N 1 0 388.295 2.218 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000419843417 648384915 /nfs/dbraw/zinc/38/49/15/648384915.db2.gz JMSOEKFGRVQTDM-HNNXBMFYSA-N 1 0 382.302 2.147 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419849458 648385214 /nfs/dbraw/zinc/38/52/14/648385214.db2.gz YORRLJMUZNIXTP-UHFFFAOYSA-N 1 0 394.313 2.056 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860204 648385752 /nfs/dbraw/zinc/38/57/52/648385752.db2.gz KQINFXQFQUPXJX-HNNXBMFYSA-N 1 0 382.302 2.040 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419920565 648388710 /nfs/dbraw/zinc/38/87/10/648388710.db2.gz CCQITSOQGQHVON-OAHLLOKOSA-N 1 0 396.329 2.446 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419932447 648389894 /nfs/dbraw/zinc/38/98/94/648389894.db2.gz DORQUIDBXOCWJC-SWLSCSKDSA-N 1 0 382.302 2.084 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419946878 648390644 /nfs/dbraw/zinc/39/06/44/648390644.db2.gz VSXVOKLDAYEEAX-AAEUAGOBSA-N 1 0 388.295 2.074 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419962728 648391475 /nfs/dbraw/zinc/39/14/75/648391475.db2.gz UHWMMRJGNXPJBF-OAHLLOKOSA-N 1 0 384.318 2.206 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000419970096 648391925 /nfs/dbraw/zinc/39/19/25/648391925.db2.gz BEECDLJKYKMOKG-KRWDZBQOSA-N 1 0 395.301 2.067 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419991077 648393788 /nfs/dbraw/zinc/39/37/88/648393788.db2.gz GMCYRQBCQKENML-INIZCTEOSA-N 1 0 396.329 2.255 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419998889 648394110 /nfs/dbraw/zinc/39/41/10/648394110.db2.gz NPXVSFBLWYLYTB-CABCVRRESA-N 1 0 382.302 2.212 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)N[C@H](C)CC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420010719 648395469 /nfs/dbraw/zinc/39/54/69/648395469.db2.gz XSXHAVWCHQGHBA-VXGBXAGGSA-N 1 0 390.311 2.463 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420013779 648396000 /nfs/dbraw/zinc/39/60/00/648396000.db2.gz JMSHQRWLXBFYSQ-CJNGLKHVSA-N 1 0 396.329 2.350 20 0 GEADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000420051897 648398423 /nfs/dbraw/zinc/39/84/23/648398423.db2.gz FHORZTSCNUWQRR-QMTHXVAHSA-N 1 0 388.295 2.181 20 0 GEADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420073918 648399667 /nfs/dbraw/zinc/39/96/67/648399667.db2.gz HGAMKLOADIDKIY-UHFFFAOYSA-N 1 0 388.281 2.179 20 0 GEADRO Cc1cc(C2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)ccc1Br ZINC000420077471 648400023 /nfs/dbraw/zinc/40/00/23/648400023.db2.gz NPCFAAJNUMCAIC-UHFFFAOYSA-N 1 0 396.329 2.317 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000420079308 648400127 /nfs/dbraw/zinc/40/01/27/648400127.db2.gz PWKPYBZUYBGUEH-CYBMUJFWSA-N 1 0 386.265 2.105 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)NCC(C)(C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420078006 648400163 /nfs/dbraw/zinc/40/01/63/648400163.db2.gz OCBBIGFCEYPIGU-NSHDSACASA-N 1 0 390.311 2.463 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420088232 648400594 /nfs/dbraw/zinc/40/05/94/648400594.db2.gz QNOFKMMEMYBDCU-GFCCVEGCSA-N 1 0 388.331 2.103 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CCC1 ZINC000420090620 648401097 /nfs/dbraw/zinc/40/10/97/648401097.db2.gz LSBQFCPMVQVFHJ-AWEZNQCLSA-N 1 0 380.286 2.110 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420092462 648401166 /nfs/dbraw/zinc/40/11/66/648401166.db2.gz BWQFQQLSHJWKQE-XJKSGUPXSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000420103283 648401953 /nfs/dbraw/zinc/40/19/53/648401953.db2.gz PDVKYUNUXYIJKX-CZUORRHYSA-N 1 0 377.535 2.453 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420113833 648402430 /nfs/dbraw/zinc/40/24/30/648402430.db2.gz YRSMWPKXJHTIAV-GOSISDBHSA-N 1 0 396.329 2.304 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420110707 648402457 /nfs/dbraw/zinc/40/24/57/648402457.db2.gz WFZGIKJZFXCLTM-SFHVURJKSA-N 1 0 396.329 2.222 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420119155 648402735 /nfs/dbraw/zinc/40/27/35/648402735.db2.gz NDTIRWBLCLLVKW-WQVCFCJDSA-N 1 0 394.313 2.227 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420127827 648403772 /nfs/dbraw/zinc/40/37/72/648403772.db2.gz PIKRHZRAAFIKJH-SWLSCSKDSA-N 1 0 382.302 2.054 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420129879 648404258 /nfs/dbraw/zinc/40/42/58/648404258.db2.gz QZNCFXIOVXTRDI-XJKSGUPXSA-N 1 0 396.329 2.300 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420135341 648404309 /nfs/dbraw/zinc/40/43/09/648404309.db2.gz GYEXSEYIMAULRK-INIZCTEOSA-N 1 0 392.297 2.149 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420164081 648406975 /nfs/dbraw/zinc/40/69/75/648406975.db2.gz FLMLYZVAIWERSO-DOMZBBRYSA-N 1 0 382.302 2.227 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420180599 648408342 /nfs/dbraw/zinc/40/83/42/648408342.db2.gz BUBMHLPVFYSNEB-UHFFFAOYSA-N 1 0 394.313 2.224 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420205518 648409194 /nfs/dbraw/zinc/40/91/94/648409194.db2.gz PIZLIJPJVPLDAI-CZUORRHYSA-N 1 0 396.329 2.430 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000420214289 648409801 /nfs/dbraw/zinc/40/98/01/648409801.db2.gz VFRNRLORAKRYHB-KCXAZCMYSA-N 1 0 394.313 2.356 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000420219616 648410259 /nfs/dbraw/zinc/41/02/59/648410259.db2.gz YSNJPYAJVXXBJL-WQVCFCJDSA-N 1 0 394.313 2.356 20 0 GEADRO Cc1ccc(-n2ncc(NC[C@@H]3C[NH2+]CCN3C)c(Cl)c2=O)cc1Cl ZINC000420265895 648412328 /nfs/dbraw/zinc/41/23/28/648412328.db2.gz FMIUJAQJZFUOFM-ZDUSSCGKSA-N 1 0 382.295 2.163 20 0 GEADRO Ic1cccc2ncnc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c12 ZINC000420267897 648412374 /nfs/dbraw/zinc/41/23/74/648412374.db2.gz XBTYZBCKRIBWAK-GHMZBOCLSA-N 1 0 380.233 2.280 20 0 GEADRO C[C@@H](NC(=O)CN1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350443 648413468 /nfs/dbraw/zinc/41/34/68/648413468.db2.gz SVDSKODFJCARPM-HIFRSBDPSA-N 1 0 385.339 2.150 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1ccc(I)cc1 ZINC000420365542 648414722 /nfs/dbraw/zinc/41/47/22/648414722.db2.gz QFHUPBADQXIIJN-LBPRGKRZSA-N 1 0 375.254 2.193 20 0 GEADRO CN(CC[NH3+])CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000420375610 648414753 /nfs/dbraw/zinc/41/47/53/648414753.db2.gz JBAIGTMIPLAHGN-UHFFFAOYSA-N 1 0 379.258 2.465 20 0 GEADRO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1I ZINC000420383974 648415095 /nfs/dbraw/zinc/41/50/95/648415095.db2.gz TVOCGPLHVXRTAE-INIZCTEOSA-N 1 0 399.276 2.305 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000420447610 648417169 /nfs/dbraw/zinc/41/71/69/648417169.db2.gz JWIVCWKTKKUXST-UHFFFAOYSA-N 1 0 377.304 2.187 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000420450245 648417611 /nfs/dbraw/zinc/41/76/11/648417611.db2.gz GWUHDHYKKKLDIF-MNOVXSKESA-N 1 0 377.304 2.254 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1OC ZINC000420473507 648420275 /nfs/dbraw/zinc/42/02/75/648420275.db2.gz HRMBYDBDGCVUKO-LBPRGKRZSA-N 1 0 382.869 2.436 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC12CCSCC2)c1cccs1 ZINC000420756388 648451359 /nfs/dbraw/zinc/45/13/59/648451359.db2.gz DUWUBUGCSGOBJV-UONOGXRCSA-N 1 0 381.567 2.117 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420760913 648452808 /nfs/dbraw/zinc/45/28/08/648452808.db2.gz GQBLLEVAFBYVOJ-GFCCVEGCSA-N 1 0 391.331 2.481 20 0 GEADRO CN(CC(=O)Nc1ccc(I)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000420999780 648461991 /nfs/dbraw/zinc/46/19/91/648461991.db2.gz JSJOTLOVPWJZHC-AWEZNQCLSA-N 1 0 387.265 2.256 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCc3c2cccc3Br)CC1 ZINC000421202597 648470477 /nfs/dbraw/zinc/47/04/77/648470477.db2.gz OWWNGKUQBMRSCD-UHFFFAOYSA-N 1 0 392.297 2.106 20 0 GEADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421243376 648477665 /nfs/dbraw/zinc/47/76/65/648477665.db2.gz VCBAFJAWNUNOOA-LBPRGKRZSA-N 1 0 382.302 2.183 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421290923 648484083 /nfs/dbraw/zinc/48/40/83/648484083.db2.gz VKSYSZJIKRPLIW-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000421300882 648486120 /nfs/dbraw/zinc/48/61/20/648486120.db2.gz PJBWHIWECROYPU-SECBINFHSA-N 1 0 390.228 2.218 20 0 GEADRO CON1CCC([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000421872703 648509811 /nfs/dbraw/zinc/50/98/11/648509811.db2.gz HAMWSFPQFRMWPP-VIFPVBQESA-N 1 0 382.313 2.317 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000422087924 648520549 /nfs/dbraw/zinc/52/05/49/648520549.db2.gz RJZIBMOTBXHEJY-HZPDHXFCSA-N 1 0 394.313 2.117 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000422292476 648534698 /nfs/dbraw/zinc/53/46/98/648534698.db2.gz GZWOYGYBWIUXFB-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000422319120 648536107 /nfs/dbraw/zinc/53/61/07/648536107.db2.gz KCEKZLUZDGZJEZ-HOTGVXAUSA-N 1 0 396.329 2.097 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000422325504 648536706 /nfs/dbraw/zinc/53/67/06/648536706.db2.gz ZKNGJGWQPAKHJP-CABCVRRESA-N 1 0 396.329 2.363 20 0 GEADRO CC[C@H](CSC)NC(=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000422373148 648541107 /nfs/dbraw/zinc/54/11/07/648541107.db2.gz AAYTWEBXHFEQKL-GFCCVEGCSA-N 1 0 383.480 2.119 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1)c1nccs1 ZINC000422393756 648542774 /nfs/dbraw/zinc/54/27/74/648542774.db2.gz ABBGCKOEBMOAGE-ZDUSSCGKSA-N 1 0 380.539 2.015 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CS[C@H](C)C1 ZINC000422531402 648557690 /nfs/dbraw/zinc/55/76/90/648557690.db2.gz OSGRBKWUWLXWCD-HUUCEWRRSA-N 1 0 383.583 2.429 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)NCCc1ccc(I)s1 ZINC000422598286 648561633 /nfs/dbraw/zinc/56/16/33/648561633.db2.gz MZJXCJOEWVQLBE-UHFFFAOYSA-N 1 0 381.283 2.322 20 0 GEADRO O=C(CN1CCC2(CC[NH2+]2)CC1)Nc1ccc(I)cc1 ZINC000422642078 648564578 /nfs/dbraw/zinc/56/45/78/648564578.db2.gz ZAJNUWYFDHUTAM-UHFFFAOYSA-N 1 0 385.249 2.058 20 0 GEADRO CC(C)[C@H](C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H](C)[NH3+] ZINC000422933097 648577672 /nfs/dbraw/zinc/57/76/72/648577672.db2.gz GYGLWZPGWFGRCV-MFKMUULPSA-N 1 0 381.420 2.085 20 0 GEADRO COc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc(Br)c1OC ZINC000422946861 648578408 /nfs/dbraw/zinc/57/84/08/648578408.db2.gz PMWWKQNXLLXKFI-HOTGVXAUSA-N 1 0 385.302 2.323 20 0 GEADRO COc1cc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc(Br)c1OC ZINC000422946862 648578525 /nfs/dbraw/zinc/57/85/25/648578525.db2.gz PMWWKQNXLLXKFI-HZPDHXFCSA-N 1 0 385.302 2.323 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422970329 648579481 /nfs/dbraw/zinc/57/94/81/648579481.db2.gz GAWQPNZWHOGHSX-CJNGLKHVSA-N 1 0 396.329 2.084 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000422987095 648579679 /nfs/dbraw/zinc/57/96/79/648579679.db2.gz FDVQGPYNMHQUIR-UHFFFAOYSA-N 1 0 394.313 2.010 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423113043 648581490 /nfs/dbraw/zinc/58/14/90/648581490.db2.gz YEZWYRFKXDYYEF-HIFRSBDPSA-N 1 0 396.329 2.383 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000423259239 648588826 /nfs/dbraw/zinc/58/88/26/648588826.db2.gz DJMKNTTXDZMFIZ-GFCCVEGCSA-N 1 0 384.267 2.227 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000423259240 648588931 /nfs/dbraw/zinc/58/89/31/648588931.db2.gz DJMKNTTXDZMFIZ-LBPRGKRZSA-N 1 0 384.267 2.227 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000423369697 648590176 /nfs/dbraw/zinc/59/01/76/648590176.db2.gz SYRMENNODDORPV-JGGQBBKZSA-N 1 0 381.929 2.152 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000423481200 648592098 /nfs/dbraw/zinc/59/20/98/648592098.db2.gz QAIRIAPYOFPBCB-CYBMUJFWSA-N 1 0 381.929 2.230 20 0 GEADRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423478341 648592157 /nfs/dbraw/zinc/59/21/57/648592157.db2.gz LCEURSGTVVBGBI-MADCSZMMSA-N 1 0 388.267 2.289 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000423488639 648592572 /nfs/dbraw/zinc/59/25/72/648592572.db2.gz WIXBFVWAVIZXPK-RWMBFGLXSA-N 1 0 394.313 2.091 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000423490463 648593064 /nfs/dbraw/zinc/59/30/64/648593064.db2.gz YTLPJIFAWBIHDJ-CQSZACIVSA-N 1 0 381.929 2.373 20 0 GEADRO Ic1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CNCCO1)CCCO2 ZINC000423513558 648593667 /nfs/dbraw/zinc/59/36/67/648593667.db2.gz CINASMLGYMSMTE-JSGCOSHPSA-N 1 0 388.249 2.083 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000423516453 648594122 /nfs/dbraw/zinc/59/41/22/648594122.db2.gz UAURNSQRFBOJNO-MRXNPFEDSA-N 1 0 396.329 2.166 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000423529768 648594736 /nfs/dbraw/zinc/59/47/36/648594736.db2.gz VTQBFFJAZWDYGX-WFASDCNBSA-N 1 0 398.276 2.072 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423552067 648594959 /nfs/dbraw/zinc/59/49/59/648594959.db2.gz CCDAFDKZSGCBKF-WWGRRREGSA-N 1 0 394.313 2.179 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423551537 648595073 /nfs/dbraw/zinc/59/50/73/648595073.db2.gz BWKAMSFTPSGULC-GFCCVEGCSA-N 1 0 382.302 2.166 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423560727 648595544 /nfs/dbraw/zinc/59/55/44/648595544.db2.gz LKOAFBICGONUPO-XQQFMLRXSA-N 1 0 382.302 2.164 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423582105 648596622 /nfs/dbraw/zinc/59/66/22/648596622.db2.gz WVKZDTRHURWHGJ-AWEZNQCLSA-N 1 0 396.329 2.180 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000423627742 648597665 /nfs/dbraw/zinc/59/76/65/648597665.db2.gz VAJGZHJHHJWHNO-GDBMZVCRSA-N 1 0 394.313 2.105 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000423653637 648598067 /nfs/dbraw/zinc/59/80/67/648598067.db2.gz ZLOCUMQFAUVZQW-INIZCTEOSA-N 1 0 381.929 2.230 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000423656041 648598572 /nfs/dbraw/zinc/59/85/72/648598572.db2.gz TWWOVOACNHWUNO-DVOMOZLQSA-N 1 0 381.929 2.229 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000423699926 648599794 /nfs/dbraw/zinc/59/97/94/648599794.db2.gz SEJJVGNMUWCONI-CJNGLKHVSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N(C)[C@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000423715339 648600279 /nfs/dbraw/zinc/60/02/79/648600279.db2.gz HINCOOPVZYLJQL-GHMZBOCLSA-N 1 0 376.284 2.025 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000423746885 648601248 /nfs/dbraw/zinc/60/12/48/648601248.db2.gz PWSXREHLKOEXSU-MNOVXSKESA-N 1 0 389.315 2.018 20 0 GEADRO O=C(NCc1ccc(I)c(Cl)c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423817993 648601913 /nfs/dbraw/zinc/60/19/13/648601913.db2.gz MDQCFEDVKCHAKB-RNCFNFMXSA-N 1 0 376.625 2.313 20 0 GEADRO COC[C@@]1(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000423854388 648602862 /nfs/dbraw/zinc/60/28/62/648602862.db2.gz XPBFFKSMDKYQEN-GOSISDBHSA-N 1 0 397.313 2.445 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)c2cn(CCC[NH3+])nn2)cc1Cl ZINC000423857394 648603032 /nfs/dbraw/zinc/60/30/32/648603032.db2.gz ZMIBHBVQTXYICZ-UHFFFAOYSA-N 1 0 388.255 2.211 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N(C)[C@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423942879 648603611 /nfs/dbraw/zinc/60/36/11/648603611.db2.gz BZCWBHCNUUUPQX-JKSUJKDBSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1c(C(=O)N[C@H](C[NH3+])C(C)(C)C)nnn1-c1cccc(Br)c1 ZINC000423949929 648604580 /nfs/dbraw/zinc/60/45/80/648604580.db2.gz HLIVUILZBJTCHE-CYBMUJFWSA-N 1 0 380.290 2.441 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000423951151 648604623 /nfs/dbraw/zinc/60/46/23/648604623.db2.gz JGJSINFIYOFXPR-SMDDNHRTSA-N 1 0 382.302 2.292 20 0 GEADRO Cc1c(C(=O)N(C)[C@@H](C[NH3+])C2CC2)nnn1-c1cccc(Br)c1 ZINC000423946865 648604731 /nfs/dbraw/zinc/60/47/31/648604731.db2.gz KCHJCIZWDLHTRT-AWEZNQCLSA-N 1 0 378.274 2.148 20 0 GEADRO [NH3+]C[C@H](NC(=O)c1[nH]nc2ccc(I)cc21)C1CCCC1 ZINC000423970182 648606403 /nfs/dbraw/zinc/60/64/03/648606403.db2.gz WNOAUNOVMAZESR-ZDUSSCGKSA-N 1 0 398.248 2.415 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1csc(-c2ccc(Br)s2)n1 ZINC000423992668 648607553 /nfs/dbraw/zinc/60/75/53/648607553.db2.gz PFTNLGWRRUVPFD-QMMMGPOBSA-N 1 0 388.312 2.352 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)Cc3ccc(F)c(Br)c3)C2)nn1 ZINC000424001017 648608554 /nfs/dbraw/zinc/60/85/54/648608554.db2.gz MKJRZZDDLQDAJT-CYBMUJFWSA-N 1 0 396.264 2.045 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000424003662 648609112 /nfs/dbraw/zinc/60/91/12/648609112.db2.gz DTHVCYSKZVYMOD-YPMHNXCESA-N 1 0 392.301 2.395 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)COc3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000424006079 648609132 /nfs/dbraw/zinc/60/91/32/648609132.db2.gz TVDSOFDYONDBPQ-CQSZACIVSA-N 1 0 384.267 2.286 20 0 GEADRO C[NH2+]CCCN(C)C(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000424008446 648609637 /nfs/dbraw/zinc/60/96/37/648609637.db2.gz ICIOECFGJNSVEU-OAHLLOKOSA-N 1 0 384.318 2.271 20 0 GEADRO C[C@H]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000424013622 648609796 /nfs/dbraw/zinc/60/97/96/648609796.db2.gz KSLVWPZZAPEWBI-WDEREUQCSA-N 1 0 388.331 2.026 20 0 GEADRO O=C(Nc1ccc(I)cc1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424076004 648610820 /nfs/dbraw/zinc/61/08/20/648610820.db2.gz KTNQNLKGRAJNEO-LBPRGKRZSA-N 1 0 397.220 2.060 20 0 GEADRO CN(CC(=O)N1C[C@H]([NH3+])Cc2ccccc21)C(=O)c1ccc(Br)o1 ZINC000424078192 648610858 /nfs/dbraw/zinc/61/08/58/648610858.db2.gz PUMHTCKIIMPWJM-GFCCVEGCSA-N 1 0 392.253 2.031 20 0 GEADRO O=C(Nc1ccc(I)cc1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424076002 648610883 /nfs/dbraw/zinc/61/08/83/648610883.db2.gz KTNQNLKGRAJNEO-GFCCVEGCSA-N 1 0 397.220 2.060 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000424081095 648611265 /nfs/dbraw/zinc/61/12/65/648611265.db2.gz WFNXTLKNKIYDTN-MBNYWOFBSA-N 1 0 382.302 2.011 20 0 GEADRO CN1CC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1=O ZINC000424185683 648615900 /nfs/dbraw/zinc/61/59/00/648615900.db2.gz HBDZARLSSANNFM-AWEZNQCLSA-N 1 0 396.329 2.244 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3cc(Br)ccc3Cl)C[C@H]2[NH3+])cn1 ZINC000424245375 648621631 /nfs/dbraw/zinc/62/16/31/648621631.db2.gz UMAJSQLLXKHKJU-GXTWGEPZSA-N 1 0 383.677 2.403 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CC(CC(=O)OC)C2)s1 ZINC000424272350 648622199 /nfs/dbraw/zinc/62/21/99/648622199.db2.gz QKOHPDWCAGEYGS-UHFFFAOYSA-N 1 0 388.555 2.252 20 0 GEADRO CC[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000424301414 648622820 /nfs/dbraw/zinc/62/28/20/648622820.db2.gz ZVUPNNUROQQAPB-CQSZACIVSA-N 1 0 396.962 2.114 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)N[C@H](C)CC[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000424475445 648630690 /nfs/dbraw/zinc/63/06/90/648630690.db2.gz JPIKAZOFWMMOSJ-BYCMXARLSA-N 1 0 398.301 2.084 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000424792097 648647071 /nfs/dbraw/zinc/64/70/71/648647071.db2.gz REAAHQTXJMDYSO-UHFFFAOYSA-N 1 0 396.285 2.096 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNc2ncc(C)cc2I)CC1 ZINC000425206524 648670411 /nfs/dbraw/zinc/67/04/11/648670411.db2.gz LBOIFEHWJFAHJM-CYBMUJFWSA-N 1 0 388.297 2.433 20 0 GEADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000425449119 648678139 /nfs/dbraw/zinc/67/81/39/648678139.db2.gz SESFNLKILGDIFN-AWEZNQCLSA-N 1 0 380.432 2.273 20 0 GEADRO COCC(C)(C)[NH+]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000425509190 648682236 /nfs/dbraw/zinc/68/22/36/648682236.db2.gz SNXBPZYPXMSFPV-OAHLLOKOSA-N 1 0 384.318 2.018 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](C[C@H]2COCCO2)C[C@H]1c1ccc(Br)cc1 ZINC000425505700 648682396 /nfs/dbraw/zinc/68/23/96/648682396.db2.gz CANQLCFMCSQVQT-HRCADAONSA-N 1 0 384.270 2.053 20 0 GEADRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000425515140 648683323 /nfs/dbraw/zinc/68/33/23/648683323.db2.gz WOHAXDPSKRZKDC-KNXALSJPSA-N 1 0 395.297 2.305 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](CCCNC(C)=O)C[C@H]1c1ccc(Br)cc1 ZINC000425516913 648683735 /nfs/dbraw/zinc/68/37/35/648683735.db2.gz KBMILCMKPXGGMY-JKSUJKDBSA-N 1 0 383.286 2.164 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)COc1cccc(I)c1 ZINC000425981967 648702618 /nfs/dbraw/zinc/70/26/18/648702618.db2.gz UJEOOVRNYDQZIY-ZDUSSCGKSA-N 1 0 388.249 2.223 20 0 GEADRO Cn1ncc(Br)c1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000426156886 648705187 /nfs/dbraw/zinc/70/51/87/648705187.db2.gz NNCRLPGSEUPXOC-UHFFFAOYSA-N 1 0 384.366 2.032 20 0 GEADRO C[NH+](C)CCCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000426851845 648716082 /nfs/dbraw/zinc/71/60/82/648716082.db2.gz UKIYQDORSGBGRB-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000426860350 648716634 /nfs/dbraw/zinc/71/66/34/648716634.db2.gz YUSSUIKFZBPHKM-ZDUSSCGKSA-N 1 0 388.331 2.209 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000428457542 648734351 /nfs/dbraw/zinc/73/43/51/648734351.db2.gz JXASNQYXRUOTPC-HIFRSBDPSA-N 1 0 377.286 2.263 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000428563111 648736979 /nfs/dbraw/zinc/73/69/79/648736979.db2.gz VKDOFZXMQZGFPP-DZGCQCFKSA-N 1 0 386.334 2.240 20 0 GEADRO C[C@@H](CNC(=O)NC[C@@H](CO)Cc1ccccc1Br)[N@H+](C)C1CC1 ZINC000428579088 648738537 /nfs/dbraw/zinc/73/85/37/648738537.db2.gz HZFKPGVWGQVPDQ-KBPBESRZSA-N 1 0 398.345 2.382 20 0 GEADRO C[C@H](CNC(=O)NC[C@H](CO)Cc1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000428585662 648739547 /nfs/dbraw/zinc/73/95/47/648739547.db2.gz ZXGWOUZHFURBAU-UKRRQHHQSA-N 1 0 398.345 2.382 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000428606348 648741299 /nfs/dbraw/zinc/74/12/99/648741299.db2.gz ZOFSCPOGHAQXJK-UKPHBRMFSA-N 1 0 398.345 2.382 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000429024634 648743758 /nfs/dbraw/zinc/74/37/58/648743758.db2.gz WPVRFQIMUHFCOV-YGRLFVJLSA-N 1 0 380.279 2.036 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000429158368 648747256 /nfs/dbraw/zinc/74/72/56/648747256.db2.gz KDSUJIKFDBRLAP-MBNYWOFBSA-N 1 0 382.302 2.153 20 0 GEADRO Cc1cc(CC(C)(C)[NH2+]C[C@@H](O)CN2CCOCC2)ccc1Br ZINC000429260178 648748536 /nfs/dbraw/zinc/74/85/36/648748536.db2.gz WECYFPVNRSURFX-MRXNPFEDSA-N 1 0 385.346 2.361 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000429282080 648748888 /nfs/dbraw/zinc/74/88/88/648748888.db2.gz AEKQFWDLAHNZIM-CORIIIEPSA-N 1 0 382.302 2.201 20 0 GEADRO COC(=O)CNC(=O)CC[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429274070 648748949 /nfs/dbraw/zinc/74/89/49/648748949.db2.gz IAKWQVBTJQDOSJ-INIZCTEOSA-N 1 0 383.286 2.341 20 0 GEADRO COC(=O)CNC(=O)CC[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429274071 648749168 /nfs/dbraw/zinc/74/91/68/648749168.db2.gz IAKWQVBTJQDOSJ-MRXNPFEDSA-N 1 0 383.286 2.341 20 0 GEADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000429286799 648749341 /nfs/dbraw/zinc/74/93/41/648749341.db2.gz TWDNETLFDZMLQG-RDJZCZTQSA-N 1 0 383.330 2.355 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000429294424 648749859 /nfs/dbraw/zinc/74/98/59/648749859.db2.gz MZSXGBHWKNJODG-BXKDBHETSA-N 1 0 398.248 2.415 20 0 GEADRO O=C(c1n[nH]c2ccc(I)cc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429660164 648750199 /nfs/dbraw/zinc/75/01/99/648750199.db2.gz MFYCIJMTXXRDNT-MNOVXSKESA-N 1 0 396.232 2.134 20 0 GEADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000429684105 648750403 /nfs/dbraw/zinc/75/04/03/648750403.db2.gz SKHAITLEEKMRLP-CABCVRRESA-N 1 0 386.279 2.301 20 0 GEADRO CN(C)C(=O)N1CCC([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000430120634 648759071 /nfs/dbraw/zinc/75/90/71/648759071.db2.gz HRPQONOHEADTKD-OAHLLOKOSA-N 1 0 388.281 2.357 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NCC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000430555066 648763420 /nfs/dbraw/zinc/76/34/20/648763420.db2.gz HSQSMEQAZKCDOO-QGZVFWFLSA-N 1 0 386.334 2.249 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2ccc(I)cc2)C1 ZINC000430563603 648763514 /nfs/dbraw/zinc/76/35/14/648763514.db2.gz JLHQCQGMJZFOQF-NWDGAFQWSA-N 1 0 387.265 2.289 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000430575988 648764153 /nfs/dbraw/zinc/76/41/53/648764153.db2.gz WIKPVKSHAKWNTK-KRWDZBQOSA-N 1 0 384.318 2.003 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN[C@](C)(C[NH3+])C1CC1 ZINC000430575990 648764395 /nfs/dbraw/zinc/76/43/95/648764395.db2.gz WIKPVKSHAKWNTK-QGZVFWFLSA-N 1 0 384.318 2.003 20 0 GEADRO CC(C)[C@H](O)CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430700683 648765429 /nfs/dbraw/zinc/76/54/29/648765429.db2.gz SSPQZQKDAWVYDI-ZWNOBZJWSA-N 1 0 379.320 2.154 20 0 GEADRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430720784 648766291 /nfs/dbraw/zinc/76/62/91/648766291.db2.gz KCBNIOJFFZVPET-QMTHXVAHSA-N 1 0 377.304 2.174 20 0 GEADRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430731011 648766811 /nfs/dbraw/zinc/76/68/11/648766811.db2.gz KSQARLOHLQYXNW-DLOVCJGASA-N 1 0 377.304 2.051 20 0 GEADRO COCC[C@@]1(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[NH2+]C1 ZINC000430736220 648766849 /nfs/dbraw/zinc/76/68/49/648766849.db2.gz SHEYJDRWIZBNST-KDOFPFPSSA-N 1 0 396.329 2.160 20 0 GEADRO COCC[C@]1(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[NH2+]C1 ZINC000430736218 648766874 /nfs/dbraw/zinc/76/68/74/648766874.db2.gz SHEYJDRWIZBNST-KBXCAEBGSA-N 1 0 396.329 2.160 20 0 GEADRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000430739991 648767560 /nfs/dbraw/zinc/76/75/60/648767560.db2.gz IJLOMOQVARGCLR-ADEWGFFLSA-N 1 0 377.304 2.315 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430940428 648770450 /nfs/dbraw/zinc/77/04/50/648770450.db2.gz KCNJTIYQIBRRMI-GRYCIOLGSA-N 1 0 387.265 2.300 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430940430 648770556 /nfs/dbraw/zinc/77/05/56/648770556.db2.gz KCNJTIYQIBRRMI-TUAOUCFPSA-N 1 0 387.265 2.300 20 0 GEADRO CCCN(CC(=O)Nc1ccc(I)cc1)[C@H]1CC[NH2+]C1 ZINC000430944749 648770623 /nfs/dbraw/zinc/77/06/23/648770623.db2.gz NSPBVMOSOVHGMT-AWEZNQCLSA-N 1 0 387.265 2.304 20 0 GEADRO C[NH2+]CC1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000430926848 648770634 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COc1ccc(S(=O)(=O)NCC2([NH3+])CCCCC2)c(Br)c1 ZINC000440742146 648811712 /nfs/dbraw/zinc/81/17/12/648811712.db2.gz SORVVKLTAOCMJV-UHFFFAOYSA-N 1 0 377.304 2.398 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000440751706 648812017 /nfs/dbraw/zinc/81/20/17/648812017.db2.gz WENYIYWPIOAHRG-ZDUSSCGKSA-N 1 0 379.707 2.477 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440746988 648812100 /nfs/dbraw/zinc/81/21/00/648812100.db2.gz LORHXZFWPIJUGY-HNNXBMFYSA-N 1 0 388.917 2.270 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000440754907 648812468 /nfs/dbraw/zinc/81/24/68/648812468.db2.gz ONPHZZHQIIXQER-GXTWGEPZSA-N 1 0 376.906 2.161 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000440754910 648812490 /nfs/dbraw/zinc/81/24/90/648812490.db2.gz ONPHZZHQIIXQER-JSGCOSHPSA-N 1 0 376.906 2.161 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000440755553 648812492 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20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)NCc2cccc(Br)c2)CC1(C)C ZINC000440990659 648817884 /nfs/dbraw/zinc/81/78/84/648817884.db2.gz WPQUJAUSOKIEKD-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(OC)cc2Br)C[C@@H]1C ZINC000441120687 648820924 /nfs/dbraw/zinc/82/09/24/648820924.db2.gz WNJMLQAPFUCNQI-NWDGAFQWSA-N 1 0 398.301 2.337 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000441607019 648832514 /nfs/dbraw/zinc/83/25/14/648832514.db2.gz BTSMZIOVZYXYKO-ZETCQYMHSA-N 1 0 382.180 2.117 20 0 GEADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000441832401 648834219 /nfs/dbraw/zinc/83/42/19/648834219.db2.gz HLBWEXGVWHTYKK-UHFFFAOYSA-N 1 0 382.675 2.280 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000441857026 648835079 /nfs/dbraw/zinc/83/50/79/648835079.db2.gz GIXJUFOUYAMWLQ-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO C[S@@](=O)C1(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000442803202 648848883 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C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(Br)cc1O ZINC000548729234 651083565 /nfs/dbraw/zinc/08/35/65/651083565.db2.gz GAHRAUHAWUJCCC-OAHLLOKOSA-N 1 0 385.302 2.266 20 0 GEADRO CCN1CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549479246 651097676 /nfs/dbraw/zinc/09/76/76/651097676.db2.gz ZJYAWMXZHSBLOB-IRXDYDNUSA-N 1 0 391.940 2.486 20 0 GEADRO CCN1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549479247 651097735 /nfs/dbraw/zinc/09/77/35/651097735.db2.gz ZJYAWMXZHSBLOB-SJORKVTESA-N 1 0 391.940 2.486 20 0 GEADRO C[NH+](C)[C@@H](CNc1cnn(-c2ccccn2)c(=O)c1Br)C1CC1 ZINC000549488843 651097759 /nfs/dbraw/zinc/09/77/59/651097759.db2.gz JDTBDCLIYQUHAU-ZDUSSCGKSA-N 1 0 378.274 2.142 20 0 GEADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000549903132 651102506 /nfs/dbraw/zinc/10/25/06/651102506.db2.gz FIQCQQUGQFWDQF-JTQLQIEISA-N 1 0 376.309 2.022 20 0 GEADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1ccc(Br)cn1 ZINC000549912361 651102643 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C[N@@H+]1CCCC[C@H]1CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000551414082 651124157 /nfs/dbraw/zinc/12/41/57/651124157.db2.gz OKJSHVKNHVZLSK-HNNXBMFYSA-N 1 0 385.555 2.069 20 0 GEADRO O=C(NCCSc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551496225 651125981 /nfs/dbraw/zinc/12/59/81/651125981.db2.gz JEMIUBTZDULJJQ-JKSUJKDBSA-N 1 0 381.929 2.291 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c1OC ZINC000551513579 651126785 /nfs/dbraw/zinc/12/67/85/651126785.db2.gz UITWVJGBHOMHNY-UHFFFAOYSA-N 1 0 392.905 2.096 20 0 GEADRO C[C@@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)NC(=O)NC1CC1 ZINC000551717726 651130312 /nfs/dbraw/zinc/13/03/12/651130312.db2.gz YXTVRNWRLHBFGF-YMTOWFKASA-N 1 0 381.274 2.262 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000551766787 651132341 /nfs/dbraw/zinc/13/23/41/651132341.db2.gz PRZKKIAGAIFSOW-NXEZZACHSA-N 1 0 378.420 2.480 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000551819059 651133715 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CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000552748919 651157005 /nfs/dbraw/zinc/15/70/05/651157005.db2.gz MNZWKWPEOINNMC-AWEZNQCLSA-N 1 0 398.345 2.297 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000552779006 651158154 /nfs/dbraw/zinc/15/81/54/651158154.db2.gz BRZCSOBAVMBHBS-QGZVFWFLSA-N 1 0 381.318 2.049 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000553040842 651162870 /nfs/dbraw/zinc/16/28/70/651162870.db2.gz PROAEKOYFSMIDO-CYBMUJFWSA-N 1 0 396.329 2.397 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000553097293 651164879 /nfs/dbraw/zinc/16/48/79/651164879.db2.gz XLGZNVKUCWFTRN-CYBMUJFWSA-N 1 0 384.318 2.254 20 0 GEADRO C[NH+](C)CCCOC1CCN(C(=O)c2ncsc2Br)CC1 ZINC000553162952 651166670 /nfs/dbraw/zinc/16/66/70/651166670.db2.gz AKUJRZGJCNBZKA-UHFFFAOYSA-N 1 0 376.320 2.479 20 0 GEADRO C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN1CC(F)(F)F ZINC000553210840 651168308 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AGRUHMRXQXGKLF-LLVKDONJSA-N 1 0 381.311 2.437 20 0 GEADRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000554719295 651211696 /nfs/dbraw/zinc/21/16/96/651211696.db2.gz LBZWZCOYNSPEQH-NSHDSACASA-N 1 0 377.304 2.121 20 0 GEADRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000554976456 651215308 /nfs/dbraw/zinc/21/53/08/651215308.db2.gz VIXPCTLFLYJVGO-QGZVFWFLSA-N 1 0 387.318 2.283 20 0 GEADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000555287091 651221892 /nfs/dbraw/zinc/22/18/92/651221892.db2.gz POBMSJMHDMACIT-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1OC ZINC000556429387 651244197 /nfs/dbraw/zinc/24/41/97/651244197.db2.gz BZYDMRWOCRNCPI-UHFFFAOYSA-N 1 0 391.917 2.167 20 0 GEADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc2c(c1)OCC(=O)N2 ZINC000556454052 651244457 /nfs/dbraw/zinc/24/44/57/651244457.db2.gz NPBFBGMYIWMEOK-NSHDSACASA-N 1 0 392.253 2.293 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000556793633 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Cn1cc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cn1 ZINC000558508394 651281107 /nfs/dbraw/zinc/28/11/07/651281107.db2.gz FHGIZNVBYLMCLI-AWEZNQCLSA-N 1 0 384.299 2.233 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000559603533 651298541 /nfs/dbraw/zinc/29/85/41/651298541.db2.gz CMMCLQYINUWBGT-UHFFFAOYSA-N 1 0 378.420 2.129 20 0 GEADRO Cn1cc([C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C(F)(F)F)cn1 ZINC000559961742 651302166 /nfs/dbraw/zinc/30/21/66/651302166.db2.gz IYFPLONAFDIICR-CQSZACIVSA-N 1 0 376.404 2.064 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000559972048 651302396 /nfs/dbraw/zinc/30/23/96/651302396.db2.gz DFSGSBWOIOROIA-LLVKDONJSA-N 1 0 386.290 2.100 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000560024951 651303642 /nfs/dbraw/zinc/30/36/42/651303642.db2.gz YNOPDLPHTHVNBQ-HZPDHXFCSA-N 1 0 394.313 2.151 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000560300146 651306494 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CC[C@@H]([NH3+])c1cn([C@H](C)C(=O)Nc2cccc(I)c2)nn1 ZINC000603201975 651471757 /nfs/dbraw/zinc/47/17/57/651471757.db2.gz OOKCZTQXVAUFNT-BXKDBHETSA-N 1 0 399.236 2.492 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000560920019 651472333 /nfs/dbraw/zinc/47/23/33/651472333.db2.gz PEWMWDFVNHKFOF-SMDDNHRTSA-N 1 0 390.299 2.066 20 0 GEADRO CSCc1cn(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)nn1 ZINC000603214399 651472347 /nfs/dbraw/zinc/47/23/47/651472347.db2.gz IAUHXFYYVNZRGL-UHFFFAOYSA-N 1 0 377.539 2.329 20 0 GEADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642692596 651473749 /nfs/dbraw/zinc/47/37/49/651473749.db2.gz DOCDKJXXCDZXQW-DFBGVHRSSA-N 1 0 379.913 2.204 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[NH2+]1 ZINC000642692701 651473752 /nfs/dbraw/zinc/47/37/52/651473752.db2.gz RMHYNWATGFHCEO-HUUCEWRRSA-N 1 0 381.929 2.450 20 0 GEADRO CCOC(=O)c1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Br ZINC000603267784 651474926 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VISSUWYAVXACHW-BBRMVZONSA-N 1 0 386.338 2.455 20 0 GEADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000725895892 651482369 /nfs/dbraw/zinc/48/23/69/651482369.db2.gz IVYVBJATPRUUQP-ZIAGYGMSSA-N 1 0 383.279 2.163 20 0 GEADRO CC(C)CCN(CCC(C)C)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000726186581 651487228 /nfs/dbraw/zinc/48/72/28/651487228.db2.gz DYRZVVRQZHGFTI-QZTJIDSGSA-N 1 0 375.579 2.078 20 0 GEADRO CC(C)CCN(CCC(C)C)S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000726186583 651487260 /nfs/dbraw/zinc/48/72/60/651487260.db2.gz DYRZVVRQZHGFTI-ROUUACIJSA-N 1 0 375.579 2.078 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)C1CCS(=O)(=O)CC1 ZINC000562056237 651487358 /nfs/dbraw/zinc/48/73/58/651487358.db2.gz GYKAUHWZMLXCOI-TZMCWYRMSA-N 1 0 384.464 2.123 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C(F)(F)F ZINC000726187132 651487787 /nfs/dbraw/zinc/48/77/87/651487787.db2.gz LSIBNMSXOIERDE-QWHCGFSZSA-N 1 0 378.416 2.155 20 0 GEADRO Cc1ccc(Br)c(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000562184242 651488340 /nfs/dbraw/zinc/48/83/40/651488340.db2.gz ODHVNEARZLGNBM-UHFFFAOYSA-N 1 0 396.329 2.480 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@H]3COCCN3)nc12 ZINC000643480756 651488441 /nfs/dbraw/zinc/48/84/41/651488441.db2.gz BKMBAWGGIOKDOL-BBRMVZONSA-N 1 0 381.318 2.304 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000643477528 651488471 /nfs/dbraw/zinc/48/84/71/651488471.db2.gz FNUDJLLKPAFOPD-ZYHUDNBSSA-N 1 0 388.331 2.055 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CCc3cc(Br)cs3)C2)nn1 ZINC000643604472 651490217 /nfs/dbraw/zinc/49/02/17/651490217.db2.gz HBVTWVFGMFOFLW-CYBMUJFWSA-N 1 0 398.330 2.357 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CCCO1 ZINC000643605388 651490344 /nfs/dbraw/zinc/49/03/44/651490344.db2.gz IVDUEJHDPHHNPF-UWWQBHOKSA-N 1 0 379.298 2.229 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000562252153 651490549 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CC[C@@H](CO)[NH+]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000608506625 651599405 /nfs/dbraw/zinc/59/94/05/651599405.db2.gz XBBZWJWCSMRQQA-KBPBESRZSA-N 1 0 377.312 2.122 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000608518776 651600388 /nfs/dbraw/zinc/60/03/88/651600388.db2.gz GNTJFAHNFZCURA-GFCCVEGCSA-N 1 0 384.249 2.127 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000566210826 651602860 /nfs/dbraw/zinc/60/28/60/651602860.db2.gz BOAQNXRXONNMHZ-WBVHZDCISA-N 1 0 385.277 2.486 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000608660645 651604210 /nfs/dbraw/zinc/60/42/10/651604210.db2.gz BUHXGHHAMQSCMP-AWEZNQCLSA-N 1 0 397.317 2.480 20 0 GEADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000566224267 651604628 /nfs/dbraw/zinc/60/46/28/651604628.db2.gz IJOAPQFNHWYBEJ-SSDOTTSWSA-N 1 0 391.209 2.363 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(F)c3Br)CC2)C1 ZINC000645461783 651607110 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CC[N@@H+]1CCN(CC(=O)Nc2cccc(I)c2)C[C@H]1C ZINC000611092369 651706265 /nfs/dbraw/zinc/70/62/65/651706265.db2.gz RKVXPCXVTULPDL-GFCCVEGCSA-N 1 0 387.265 2.256 20 0 GEADRO CC[NH2+]CCCNC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000646623272 651707687 /nfs/dbraw/zinc/70/76/87/651707687.db2.gz LDUPSHCUROUHDD-HNNXBMFYSA-N 1 0 384.318 2.319 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569340563 651707858 /nfs/dbraw/zinc/70/78/58/651707858.db2.gz QLRDTPGJXRTBQX-CQSZACIVSA-N 1 0 395.269 2.492 20 0 GEADRO O=S(=O)(CC[NH2+]CC[C@H](O)C(F)(F)F)c1cccc(Br)c1 ZINC000569362772 651709444 /nfs/dbraw/zinc/70/94/44/651709444.db2.gz OADDSNWOHNPWEZ-NSHDSACASA-N 1 0 390.221 2.126 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000569367018 651709975 /nfs/dbraw/zinc/70/99/75/651709975.db2.gz VZFJKVJOSDWYEV-CYBMUJFWSA-N 1 0 378.274 2.285 20 0 GEADRO C[C@@H]1CC(=O)NCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000611178015 651713257 /nfs/dbraw/zinc/71/32/57/651713257.db2.gz 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ZINC000733848267 651724869 /nfs/dbraw/zinc/72/48/69/651724869.db2.gz NDJPMJFVEQSLJF-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)COc2ccc(Br)cc2Cl)CCO1 ZINC000646859731 651724848 /nfs/dbraw/zinc/72/48/48/651724848.db2.gz SVKZBQDSKCGONI-TVQRCGJNSA-N 1 0 377.666 2.056 20 0 GEADRO Brc1ccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c(N2CCOCC2)c1 ZINC000569810481 651725964 /nfs/dbraw/zinc/72/59/64/651725964.db2.gz KYUFHKMFFKTCPC-GOEBONIOSA-N 1 0 380.330 2.327 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1CCC[C@@H](O)C1)COc1cc(F)cc(Br)c1 ZINC000569811227 651726105 /nfs/dbraw/zinc/72/61/05/651726105.db2.gz XULAYIWHMHJSSW-KCPJHIHWSA-N 1 0 376.266 2.469 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c(Br)c1 ZINC000569874240 651730339 /nfs/dbraw/zinc/73/03/39/651730339.db2.gz XXVXGKGLTHQSRN-CHWSQXEVSA-N 1 0 385.302 2.435 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000569895410 651731924 /nfs/dbraw/zinc/73/19/24/651731924.db2.gz PGOQVDLXYARFDX-CQSZACIVSA-N 1 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651735416 /nfs/dbraw/zinc/73/54/16/651735416.db2.gz QIBBBDUUSDIWDS-HIFRSBDPSA-N 1 0 388.917 2.176 20 0 GEADRO Cc1sc2c(cccc2C)c1S(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000569955384 651736287 /nfs/dbraw/zinc/73/62/87/651736287.db2.gz ZCGCJXNWEUXTAN-CQSZACIVSA-N 1 0 381.567 2.432 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000647228058 651737810 /nfs/dbraw/zinc/73/78/10/651737810.db2.gz FOZSFFWIYDHWGO-UHFFFAOYSA-N 1 0 377.304 2.139 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCO1 ZINC000647234182 651738304 /nfs/dbraw/zinc/73/83/04/651738304.db2.gz MQDSAWUJNCZJDL-FZMZJTMJSA-N 1 0 383.539 2.331 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000647232027 651738313 /nfs/dbraw/zinc/73/83/13/651738313.db2.gz AETCWZFDTSRVOG-ZDUSSCGKSA-N 1 0 391.921 2.301 20 0 GEADRO Cn1cnc(CCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)n1 ZINC000647230734 651738455 /nfs/dbraw/zinc/73/84/55/651738455.db2.gz KUTVQQVGEVPICM-UHFFFAOYSA-N 1 0 375.274 2.486 20 0 GEADRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000647273720 651739411 /nfs/dbraw/zinc/73/94/11/651739411.db2.gz HDILYIODVQRRKG-APPDUMDISA-N 1 0 385.917 2.411 20 0 GEADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000647273723 651739452 /nfs/dbraw/zinc/73/94/52/651739452.db2.gz HDILYIODVQRRKG-PIGZYNQJSA-N 1 0 385.917 2.411 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000570042819 651741765 /nfs/dbraw/zinc/74/17/65/651741765.db2.gz OCEJWXNGRCEZOF-RDJZCZTQSA-N 1 0 394.313 2.275 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]C2CCC(F)(F)CC2)c1 ZINC000647292898 651742310 /nfs/dbraw/zinc/74/23/10/651742310.db2.gz KKONBOOSXBBQJW-LLVKDONJSA-N 1 0 375.441 2.089 20 0 GEADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647301699 651742904 /nfs/dbraw/zinc/74/29/04/651742904.db2.gz UUEUIZSWZUHGBF-OAHLLOKOSA-N 1 0 386.315 2.299 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1OC(F)F ZINC000647320266 651744025 /nfs/dbraw/zinc/74/40/25/651744025.db2.gz ZNERSUKWWCVLMK-JTQLQIEISA-N 1 0 376.759 2.217 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000570082390 651745603 /nfs/dbraw/zinc/74/56/03/651745603.db2.gz ZIGRVWBMGXOUAE-QGZVFWFLSA-N 1 0 398.345 2.460 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)/C=C/c3ccc(Br)o3)CC2)C1 ZINC000734454636 651745532 /nfs/dbraw/zinc/74/55/32/651745532.db2.gz ZECRGNVGZAIDGB-HZRUHFOJSA-N 1 0 382.302 2.294 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000570089296 651746201 /nfs/dbraw/zinc/74/62/01/651746201.db2.gz CUWZVNGFOARGKH-JTQLQIEISA-N 1 0 376.320 2.133 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C[C@H](O)c3ccc(Br)cc3)CC2)C1 ZINC000734487198 651746260 /nfs/dbraw/zinc/74/62/60/651746260.db2.gz MYQKZBLOEHLLPW-MSOLQXFVSA-N 1 0 382.346 2.194 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000570104565 651747428 /nfs/dbraw/zinc/74/74/28/651747428.db2.gz LWTPRJVMFNWBBN-CYBMUJFWSA-N 1 0 381.464 2.280 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CN(C)CCN1CC[NH2+]CC1 ZINC000647493101 651748370 /nfs/dbraw/zinc/74/83/70/651748370.db2.gz UPLUBNYREBVHJZ-UHFFFAOYSA-N 1 0 392.345 2.280 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000647494879 651749114 /nfs/dbraw/zinc/74/91/14/651749114.db2.gz ZGJQTNZOVJBMFU-IUCAKERBSA-N 1 0 390.253 2.167 20 0 GEADRO O[C@H](CNC[C@@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)c(Cl)c1 ZINC000647517808 651749520 /nfs/dbraw/zinc/74/95/20/651749520.db2.gz GGCRUXQJTBORCF-ZIAGYGMSSA-N 1 0 377.312 2.170 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000570281848 651757692 /nfs/dbraw/zinc/75/76/92/651757692.db2.gz ODSCIQYLRHGIJS-INIZCTEOSA-N 1 0 382.302 2.275 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777376 651758592 /nfs/dbraw/zinc/75/85/92/651758592.db2.gz NCMOFXIJIINFEV-HNNXBMFYSA-N 1 0 382.346 2.381 20 0 GEADRO COC(=O)[C@](C)(O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000570313093 651759811 /nfs/dbraw/zinc/75/98/11/651759811.db2.gz BJZQHJPHWULGBX-QGZVFWFLSA-N 1 0 386.286 2.354 20 0 GEADRO CN(C)[C@]1(C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CCSC1 ZINC000570322949 651760358 /nfs/dbraw/zinc/76/03/58/651760358.db2.gz PHYXLUCUUOTFLJ-BBRMVZONSA-N 1 0 378.460 2.472 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)c1cc(Cl)c(Br)cc1OC ZINC000570334736 651760838 /nfs/dbraw/zinc/76/08/38/651760838.db2.gz MDFCFTOQJWFULM-UHFFFAOYSA-N 1 0 379.682 2.155 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000612551416 651760892 /nfs/dbraw/zinc/76/08/92/651760892.db2.gz GJYXFGVMOLIKMT-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO Cc1ccc(CC(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1Br ZINC000647824926 651761187 /nfs/dbraw/zinc/76/11/87/651761187.db2.gz FMHPIDNZXATCMV-UHFFFAOYSA-N 1 0 380.330 2.006 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000647834197 651761922 /nfs/dbraw/zinc/76/19/22/651761922.db2.gz YBALFSDTMNHNCG-WQVCFCJDSA-N 1 0 381.929 2.406 20 0 GEADRO CC1(C)C[NH2+]CCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000647840662 651762498 /nfs/dbraw/zinc/76/24/98/651762498.db2.gz RZMLHIVSDRWMPU-LBPRGKRZSA-N 1 0 380.286 2.012 20 0 GEADRO CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647840596 651762527 /nfs/dbraw/zinc/76/25/27/651762527.db2.gz KHLVNKRQTKOHOS-CQSZACIVSA-N 1 0 380.286 2.012 20 0 GEADRO COc1ccc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Br)c1 ZINC000612659939 651764149 /nfs/dbraw/zinc/76/41/49/651764149.db2.gz SXNIWSQIXCOZEJ-HNNXBMFYSA-N 1 0 399.329 2.353 20 0 GEADRO CCn1c(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nc2cc(Br)ccc21 ZINC000570428212 651766425 /nfs/dbraw/zinc/76/64/25/651766425.db2.gz PBGSMJFSUXZWDE-ABAIWWIYSA-N 1 0 392.301 2.322 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000570439369 651767813 /nfs/dbraw/zinc/76/78/13/651767813.db2.gz VJUYATYQZXKOAY-QGZVFWFLSA-N 1 0 390.933 2.380 20 0 GEADRO COCCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000647970500 651768098 /nfs/dbraw/zinc/76/80/98/651768098.db2.gz SZADZLINWBTFKU-OCCSQVGLSA-N 1 0 375.307 2.047 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1C[NH2+]CCC1(F)F ZINC000648021215 651770528 /nfs/dbraw/zinc/77/05/28/651770528.db2.gz BYRWANZUOCUWKT-NXEZZACHSA-N 1 0 383.222 2.094 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1cc(Br)ccc1F ZINC000648041081 651771082 /nfs/dbraw/zinc/77/10/82/651771082.db2.gz GRTVXJFUYAZJRM-CHWSQXEVSA-N 1 0 397.292 2.267 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000570513909 651771677 /nfs/dbraw/zinc/77/16/77/651771677.db2.gz FGRAILRBRVBYKZ-CYBMUJFWSA-N 1 0 378.416 2.081 20 0 GEADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000648050172 651772185 /nfs/dbraw/zinc/77/21/85/651772185.db2.gz CRDQWOHFGMAMRZ-CQSZACIVSA-N 1 0 383.286 2.500 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(OC)cc3Br)[C@H]2C1 ZINC000570646289 651780686 /nfs/dbraw/zinc/78/06/86/651780686.db2.gz SUQHTTFDORUGPL-JKSUJKDBSA-N 1 0 383.286 2.393 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(Br)cc4c3OCCO4)[C@H]2C1 ZINC000613328140 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O=S(=O)(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000657083845 652108060 /nfs/dbraw/zinc/10/80/60/652108060.db2.gz GFGCXADSZPPQLI-QGZVFWFLSA-N 1 0 380.897 2.385 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000657090423 652110543 /nfs/dbraw/zinc/11/05/43/652110543.db2.gz GTMCQCDKMSJMJF-VIFPVBQESA-N 1 0 383.283 2.215 20 0 GEADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000657090350 652110826 /nfs/dbraw/zinc/11/08/26/652110826.db2.gz CICIPLZVTJQFOM-UHFFFAOYSA-N 1 0 385.427 2.006 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000576390093 652112548 /nfs/dbraw/zinc/11/25/48/652112548.db2.gz GXWRJRKBLNKCDJ-BMFZPTHFSA-N 1 0 399.329 2.425 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)OCC(F)(F)F)c1ccc(Cl)cc1 ZINC000746638636 652118556 /nfs/dbraw/zinc/11/85/56/652118556.db2.gz XZIXPUUCLLNKJD-LBPRGKRZSA-N 1 0 381.782 2.347 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCOc2cc(Br)ccc21 ZINC000657123750 652122291 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COc1cc(OC)c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000576989503 652161026 /nfs/dbraw/zinc/16/10/26/652161026.db2.gz IAWRYBDFUBCVGI-STQMWFEESA-N 1 0 388.917 2.367 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1c(F)cncc1Br ZINC000657341242 652161901 /nfs/dbraw/zinc/16/19/01/652161901.db2.gz QJAKOLVQJGCHQV-OAHLLOKOSA-N 1 0 387.297 2.016 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cnc2n1CCC2)c1cccc(Cl)c1Cl ZINC000657463670 652165868 /nfs/dbraw/zinc/16/58/68/652165868.db2.gz DVWPHYUZTMCPJD-UHFFFAOYSA-N 1 0 389.308 2.204 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccnn1CC1CC1 ZINC000657466201 652166668 /nfs/dbraw/zinc/16/66/68/652166668.db2.gz QHWDPCAKSYLHJY-UHFFFAOYSA-N 1 0 382.917 2.323 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000657466233 652166715 /nfs/dbraw/zinc/16/67/15/652166715.db2.gz RLVUMBGOUZYWLX-UHFFFAOYSA-N 1 0 382.917 2.327 20 0 GEADRO C[N@H+](C[C@H](O)CNCc1nc(-c2cccc(Br)c2)no1)C1CC1 ZINC000577172728 652167414 /nfs/dbraw/zinc/16/74/14/652167414.db2.gz BBENCGRKPKQPQM-CQSZACIVSA-N 1 0 381.274 2.044 20 0 GEADRO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000747530051 652167918 /nfs/dbraw/zinc/16/79/18/652167918.db2.gz JLZVTMPCVHCBNL-MRXNPFEDSA-N 1 0 390.933 2.139 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CCSc3ccc(Cl)cc31)C2 ZINC000621839960 652168471 /nfs/dbraw/zinc/16/84/71/652168471.db2.gz BBOLAGXWKBZEQK-OMPKRAJASA-N 1 0 379.913 2.333 20 0 GEADRO O=C(Nc1cccc(Br)c1F)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657527196 652169786 /nfs/dbraw/zinc/16/97/86/652169786.db2.gz QOYKAWXSCSJHAZ-QWRGUYRKSA-N 1 0 384.249 2.270 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657528004 652169847 /nfs/dbraw/zinc/16/98/47/652169847.db2.gz KWPMMPPNJHPVJS-NSHDSACASA-N 1 0 398.276 2.436 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21)[NH+](C)C ZINC000657532410 652170579 /nfs/dbraw/zinc/17/05/79/652170579.db2.gz WNCVNABCCNURGL-NSHDSACASA-N 1 0 382.302 2.140 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cccc(Br)c1F ZINC000657528375 652170729 /nfs/dbraw/zinc/17/07/29/652170729.db2.gz YZZQTHVOWFRHHG-JTQLQIEISA-N 1 0 384.249 2.127 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000657547328 652171762 /nfs/dbraw/zinc/17/17/62/652171762.db2.gz DVTYRZOMGXRYCC-UHFFFAOYSA-N 1 0 393.958 2.438 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC1CC([NH+](C)C)C1 ZINC000577232160 652172429 /nfs/dbraw/zinc/17/24/29/652172429.db2.gz WMSYZSCQNKGFGG-QGLTVNCISA-N 1 0 384.318 2.145 20 0 GEADRO C[NH+](C)[C@@H](CNC(=S)NCCCN1CCOCC1)c1ccc(Cl)cc1 ZINC000747657838 652173643 /nfs/dbraw/zinc/17/36/43/652173643.db2.gz AFWNGKDMKKESBN-KRWDZBQOSA-N 1 0 384.977 2.129 20 0 GEADRO Cc1c(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000622013519 652174338 /nfs/dbraw/zinc/17/43/38/652174338.db2.gz QONVQTGILOMBFA-DYVFJYSZSA-N 1 0 380.901 2.336 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622012690 652174361 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396.285 2.267 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000577288903 652176987 /nfs/dbraw/zinc/17/69/87/652176987.db2.gz JXJSKVLOCWBOLV-OAHLLOKOSA-N 1 0 388.327 2.356 20 0 GEADRO Cc1nn(C)c(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1Br ZINC000657595707 652177299 /nfs/dbraw/zinc/17/72/99/652177299.db2.gz JLWJXISLRSFHPO-MRXNPFEDSA-N 1 0 393.329 2.347 20 0 GEADRO Cc1cccc(Br)c1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000577289477 652177320 /nfs/dbraw/zinc/17/73/20/652177320.db2.gz YGUXDANNQXOCOC-OAHLLOKOSA-N 1 0 394.313 2.136 20 0 GEADRO C[NH+](C)CCCCCOC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000747770077 652177951 /nfs/dbraw/zinc/17/79/51/652177951.db2.gz ZJBFXSOKHDVWTE-UHFFFAOYSA-N 1 0 399.285 2.450 20 0 GEADRO C[NH+](C)CCCCCOC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000747768734 652178103 /nfs/dbraw/zinc/17/81/03/652178103.db2.gz NZBUMYLVTHGGIO-UHFFFAOYSA-N 1 0 397.269 2.320 20 0 GEADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657622350 652180683 /nfs/dbraw/zinc/18/06/83/652180683.db2.gz PFRVIPJDCMQLLC-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@@H]1CC[C@@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)CS1(=O)=O ZINC000657636769 652182809 /nfs/dbraw/zinc/18/28/09/652182809.db2.gz IQKFHTAMGJRXIV-HUUCEWRRSA-N 1 0 385.961 2.147 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(I)cc1 ZINC000577492622 652192344 /nfs/dbraw/zinc/19/23/44/652192344.db2.gz GZVMIZWMXRJJIL-CQSZACIVSA-N 1 0 387.265 2.304 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(SC)ccc1Cl ZINC000657723961 652196737 /nfs/dbraw/zinc/19/67/37/652196737.db2.gz ZARHVCBSWUIYEJ-GFCCVEGCSA-N 1 0 387.933 2.473 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(SC)ccc1Cl ZINC000657723963 652197144 /nfs/dbraw/zinc/19/71/44/652197144.db2.gz ZARHVCBSWUIYEJ-LBPRGKRZSA-N 1 0 387.933 2.473 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000748525826 652205738 /nfs/dbraw/zinc/20/57/38/652205738.db2.gz CPGDRBDTPHRDHZ-ZDUSSCGKSA-N 1 0 377.539 2.382 20 0 GEADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCCSCC2)s1)N1CCOCC1 ZINC000657834485 652209165 /nfs/dbraw/zinc/20/91/65/652209165.db2.gz KJCDRCVIAYWHDI-CYBMUJFWSA-N 1 0 376.569 2.144 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000657819071 652209310 /nfs/dbraw/zinc/20/93/10/652209310.db2.gz ZPJNJBSEDGREOU-UHFFFAOYSA-N 1 0 396.329 2.483 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748695594 652212178 /nfs/dbraw/zinc/21/21/78/652212178.db2.gz PLDKUAKNJRUXLI-UHFFFAOYSA-N 1 0 387.933 2.052 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000577751751 652212962 /nfs/dbraw/zinc/21/29/62/652212962.db2.gz SIMKSYFJPUELHC-STQMWFEESA-N 1 0 386.901 2.137 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748713754 652213942 /nfs/dbraw/zinc/21/39/42/652213942.db2.gz SGHVPLKALGELPO-UHFFFAOYSA-N 1 0 387.933 2.148 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2-n2cnnn2)CCCC1 ZINC000623016906 652214352 /nfs/dbraw/zinc/21/43/52/652214352.db2.gz MKSRVPAVIASWJN-UHFFFAOYSA-N 1 0 393.289 2.029 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000577845864 652221102 /nfs/dbraw/zinc/22/11/02/652221102.db2.gz KYDJVTDDLNIJRP-MRVPVSSYSA-N 1 0 387.328 2.934 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c2ncccc12)C[NH+](C)C ZINC000657968608 652222863 /nfs/dbraw/zinc/22/28/63/652222863.db2.gz YYKPCFMLTMQSFZ-NSHDSACASA-N 1 0 393.285 2.250 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cncc(Br)c1 ZINC000657991662 652226774 /nfs/dbraw/zinc/22/67/74/652226774.db2.gz WKIXTYZQTCLRCD-GFCCVEGCSA-N 1 0 399.310 2.461 20 0 GEADRO Brc1ccnc2c1C[N@H+](CCc1nnnn1-c1ccccc1)CC2 ZINC000623286055 652230715 /nfs/dbraw/zinc/23/07/15/652230715.db2.gz CIMTZFZGMIZVSZ-UHFFFAOYSA-N 1 0 385.269 2.421 20 0 GEADRO COCC[NH2+]C1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000577958211 652231917 /nfs/dbraw/zinc/23/19/17/652231917.db2.gz ZTCXHQIXXVYTHY-UHFFFAOYSA-N 1 0 388.281 2.227 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000658020629 652232084 /nfs/dbraw/zinc/23/20/84/652232084.db2.gz AJXGSXGNBSCLBU-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(Br)c3F)[C@@H]2C1 ZINC000658026264 652232966 /nfs/dbraw/zinc/23/29/66/652232966.db2.gz CNHGKINNWWSWGV-GXFFZTMASA-N 1 0 384.249 2.079 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@]1([NH+](C)C)CCSC1 ZINC000749097472 652234021 /nfs/dbraw/zinc/23/40/21/652234021.db2.gz KQFPKMHTPWHRAK-OAHLLOKOSA-N 1 0 392.978 2.086 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000658051884 652234184 /nfs/dbraw/zinc/23/41/84/652234184.db2.gz CDTDCXWQUHZCKR-PHIMTYICSA-N 1 0 386.265 2.292 20 0 GEADRO CC[C@@H]([NH2+]CC[C@H](COC)OC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658081240 652235535 /nfs/dbraw/zinc/23/55/35/652235535.db2.gz HHOOCMSIBPCTGL-UKRRQHHQSA-N 1 0 378.922 2.340 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000658123989 652238140 /nfs/dbraw/zinc/23/81/40/652238140.db2.gz OLTITISJADSXNU-CQSZACIVSA-N 1 0 394.313 2.327 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000658128685 652239072 /nfs/dbraw/zinc/23/90/72/652239072.db2.gz WCXUPDQMEBCRTN-GFCCVEGCSA-N 1 0 394.313 2.327 20 0 GEADRO CSC1(CNC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC[NH+](C)CC1 ZINC000578055824 652240311 /nfs/dbraw/zinc/24/03/11/652240311.db2.gz YQZUPLWCAHOQEP-UHFFFAOYSA-N 1 0 396.460 2.044 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000749287838 652243873 /nfs/dbraw/zinc/24/38/73/652243873.db2.gz QJDYWMIROZPNLB-QLFBSQMISA-N 1 0 388.965 2.167 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000749287841 652244077 /nfs/dbraw/zinc/24/40/77/652244077.db2.gz QJDYWMIROZPNLB-SOUVJXGZSA-N 1 0 388.965 2.167 20 0 GEADRO CN(C)c1c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc(F)c1F ZINC000623521843 652244846 /nfs/dbraw/zinc/24/48/46/652244846.db2.gz KVCCKXAKLDXVFT-WFASDCNBSA-N 1 0 375.485 2.228 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000578122080 652245272 /nfs/dbraw/zinc/24/52/72/652245272.db2.gz PLGFYHKZANUQTP-KBPBESRZSA-N 1 0 387.311 2.250 20 0 GEADRO CCC[NH+]1CCC(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000749334475 652247226 /nfs/dbraw/zinc/24/72/26/652247226.db2.gz HFHUMCANWKMIHW-UHFFFAOYSA-N 1 0 393.289 2.029 20 0 GEADRO COCC[N@H+](C)CCNC(=O)NCc1ccc(Br)c(F)c1F ZINC000623572225 652247530 /nfs/dbraw/zinc/24/75/30/652247530.db2.gz VNALUEJNPPWLDC-UHFFFAOYSA-N 1 0 380.233 2.105 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658262007 652248330 /nfs/dbraw/zinc/24/83/30/652248330.db2.gz OAMOCLUIVPXGSC-LLVKDONJSA-N 1 0 398.301 2.385 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000658263781 652248350 /nfs/dbraw/zinc/24/83/50/652248350.db2.gz MNYQLXYQDNYTCB-LLVKDONJSA-N 1 0 383.290 2.080 20 0 GEADRO OCCCC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000749366767 652249363 /nfs/dbraw/zinc/24/93/63/652249363.db2.gz RODVHSDBCSFGLE-CQSZACIVSA-N 1 0 377.312 2.123 20 0 GEADRO Cc1n[nH]c(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1Br ZINC000749399155 652251167 /nfs/dbraw/zinc/25/11/67/652251167.db2.gz NBRJGTPHYQHFRN-STQMWFEESA-N 1 0 398.349 2.111 20 0 GEADRO Fc1cc(Br)ccc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623653349 652251819 /nfs/dbraw/zinc/25/18/19/652251819.db2.gz FDWJXEIDGCEWAF-CYBMUJFWSA-N 1 0 391.248 2.394 20 0 GEADRO Fc1cc(Br)ccc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623653350 652251883 /nfs/dbraw/zinc/25/18/83/652251883.db2.gz FDWJXEIDGCEWAF-ZDUSSCGKSA-N 1 0 391.248 2.394 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCSc4ccc(Cl)cc43)C[C@@H]12 ZINC000578227121 652254588 /nfs/dbraw/zinc/25/45/88/652254588.db2.gz VXCXREZSEQLTHB-QZKOUSHUSA-N 1 0 379.913 2.189 20 0 GEADRO C[C@H](CNC(=O)NCc1csc(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000623712476 652255487 /nfs/dbraw/zinc/25/54/87/652255487.db2.gz FXGLOITXMONZQP-GFCCVEGCSA-N 1 0 378.464 2.450 20 0 GEADRO CCN(C(=O)C(=O)Nc1c(F)ccc(C)c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000658361404 652256430 /nfs/dbraw/zinc/25/64/30/652256430.db2.gz MMJYQVQSUCOPHK-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000658362459 652256653 /nfs/dbraw/zinc/25/66/53/652256653.db2.gz AHKOVVAMBZNCPE-GFCCVEGCSA-N 1 0 377.304 2.268 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C)c1F)[C@@H]1CC[N@H+](C)C1 ZINC000658363092 652257149 /nfs/dbraw/zinc/25/71/49/652257149.db2.gz ZACCTQREIWXKGP-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000658365566 652257221 /nfs/dbraw/zinc/25/72/21/652257221.db2.gz AVGMJVHDYLHRSA-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000623735249 652257931 /nfs/dbraw/zinc/25/79/31/652257931.db2.gz OZQBIFDMGRKOCT-GWCFXTLKSA-N 1 0 383.290 2.277 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@H]1C[NH3+] ZINC000658368732 652258036 /nfs/dbraw/zinc/25/80/36/652258036.db2.gz MXCXAATVSGLPSL-HZMBPMFUSA-N 1 0 379.295 2.477 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000658368668 652258128 /nfs/dbraw/zinc/25/81/28/652258128.db2.gz LVAZWLYTVDZEET-GHMZBOCLSA-N 1 0 379.295 2.477 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000658374361 652259391 /nfs/dbraw/zinc/25/93/91/652259391.db2.gz VALWMCZLYCAQGP-CQSZACIVSA-N 1 0 377.279 2.103 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000658374886 652259466 /nfs/dbraw/zinc/25/94/66/652259466.db2.gz YVMQJMDYDOMSAN-RNCFNFMXSA-N 1 0 379.707 2.475 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000658377600 652260144 /nfs/dbraw/zinc/26/01/44/652260144.db2.gz BOYROKSKPBBZHW-VIFPVBQESA-N 1 0 381.267 2.017 20 0 GEADRO C[C@]1(CNS(=O)(=O)Cc2cc(F)ccc2Br)CCC[NH2+]C1 ZINC000658376542 652260209 /nfs/dbraw/zinc/26/02/09/652260209.db2.gz GBRUPWZLJJNCIC-AWEZNQCLSA-N 1 0 379.295 2.397 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000658380248 652261073 /nfs/dbraw/zinc/26/10/73/652261073.db2.gz KMTYFVNAVPAMCL-TXEJJXNPSA-N 1 0 391.306 2.349 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000658380927 652261313 /nfs/dbraw/zinc/26/13/13/652261313.db2.gz LFALJEWCRBQAAD-UWVGGRQHSA-N 1 0 395.294 2.393 20 0 GEADRO Cc1sc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Br ZINC000578315520 652261565 /nfs/dbraw/zinc/26/15/65/652261565.db2.gz VGDSDAOAHNOFHN-LLVKDONJSA-N 1 0 388.331 2.279 20 0 GEADRO C[C@H](C[C@@H]1COCC[NH2+]1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000578313936 652261571 /nfs/dbraw/zinc/26/15/71/652261571.db2.gz CBSKOESWNGJFMK-BXUZGUMPSA-N 1 0 380.290 2.091 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000658381495 652262095 /nfs/dbraw/zinc/26/20/95/652262095.db2.gz RJRCLKHEFNEARE-TVQRCGJNSA-N 1 0 379.707 2.475 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)CCC[NH2+]C ZINC000658382097 652262180 /nfs/dbraw/zinc/26/21/80/652262180.db2.gz DQOMPIDDRABWRT-UHFFFAOYSA-N 1 0 379.320 2.468 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)CCc2ccccc2Cl)CC1 ZINC000658382550 652262543 /nfs/dbraw/zinc/26/25/43/652262543.db2.gz OYBQUHXJOWBJGY-ROUUACIJSA-N 1 0 386.945 2.431 20 0 GEADRO O=S(=O)(c1cc(F)ccc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578322938 652262837 /nfs/dbraw/zinc/26/28/37/652262837.db2.gz SSNBBVRPICMHCZ-PHIMTYICSA-N 1 0 377.279 2.208 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(F)F ZINC000578322300 652262857 /nfs/dbraw/zinc/26/28/57/652262857.db2.gz PZSBYIBBXASWDO-QPUJVOFHSA-N 1 0 380.222 2.445 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)CCc3ccccc3Cl)C2)C1 ZINC000658383645 652263032 /nfs/dbraw/zinc/26/30/32/652263032.db2.gz KIIFPSQXYOLGJF-JFIYKMOQSA-N 1 0 386.945 2.431 20 0 GEADRO O=S(=O)(c1ccc(Br)cn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658384827 652263065 /nfs/dbraw/zinc/26/30/65/652263065.db2.gz MAJUBFDBWHERFL-CYBMUJFWSA-N 1 0 388.331 2.244 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])s1 ZINC000658398135 652265246 /nfs/dbraw/zinc/26/52/46/652265246.db2.gz NYDBTALOTITYBM-VNHYZAJKSA-N 1 0 387.571 2.473 20 0 GEADRO CC[C@@H](C)NC(=S)NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000749759433 652265957 /nfs/dbraw/zinc/26/59/57/652265957.db2.gz XAIASUICDDZANF-CQSZACIVSA-N 1 0 379.599 2.293 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000658402252 652265978 /nfs/dbraw/zinc/26/59/78/652265978.db2.gz LPLZHQXNZFSHSS-GFCCVEGCSA-N 1 0 389.315 2.411 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1 ZINC000624051939 652267588 /nfs/dbraw/zinc/26/75/88/652267588.db2.gz SGOSMJIYGCXSJE-SNVBAGLBSA-N 1 0 376.404 2.198 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000658427473 652270503 /nfs/dbraw/zinc/27/05/03/652270503.db2.gz DXLXRUPOVWOPKM-UHFFFAOYSA-N 1 0 393.290 2.071 20 0 GEADRO CSc1cc(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)ccc1Cl ZINC000658429126 652270982 /nfs/dbraw/zinc/27/09/82/652270982.db2.gz SEJOOAICLOMCOH-UHFFFAOYSA-N 1 0 386.949 2.000 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F)[NH+](C)C ZINC000658429212 652271093 /nfs/dbraw/zinc/27/10/93/652271093.db2.gz QFWONYPENRUBAK-SNVBAGLBSA-N 1 0 377.819 2.379 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)n2)s1 ZINC000658429760 652271111 /nfs/dbraw/zinc/27/11/11/652271111.db2.gz WGOPGYQVWMBYSP-SECBINFHSA-N 1 0 381.527 2.278 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)[NH+](C)C ZINC000658429812 652271119 /nfs/dbraw/zinc/27/11/19/652271119.db2.gz XMWNZIRVJIQCPZ-JTQLQIEISA-N 1 0 377.819 2.379 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc(Br)c(F)c1F ZINC000624115218 652271390 /nfs/dbraw/zinc/27/13/90/652271390.db2.gz QIYXJMZXGOLLPH-UHFFFAOYSA-N 1 0 392.244 2.249 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cncc(Br)c1 ZINC000624116946 652271507 /nfs/dbraw/zinc/27/15/07/652271507.db2.gz CCMJVJYTIVHZIX-BXUZGUMPSA-N 1 0 388.273 2.211 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000578451713 652274464 /nfs/dbraw/zinc/27/44/64/652274464.db2.gz MNEQHKGXWVLYHK-UHFFFAOYSA-N 1 0 387.933 2.181 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cncc(Br)c1 ZINC000578453803 652274594 /nfs/dbraw/zinc/27/45/94/652274594.db2.gz GKTHFLVGXCXOSJ-SWLSCSKDSA-N 1 0 392.301 2.419 20 0 GEADRO O=c1scc(C(F)(F)F)n1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000749955558 652274910 /nfs/dbraw/zinc/27/49/10/652274910.db2.gz RHVCZMKICWHCAG-UHFFFAOYSA-N 1 0 379.448 2.320 20 0 GEADRO C[C@@H](NC(=O)COc1cccc(I)c1)[C@H]1CCC[NH2+]C1 ZINC000578520597 652276042 /nfs/dbraw/zinc/27/60/42/652276042.db2.gz NUHJPFANHQCNGR-NEPJUHHUSA-N 1 0 388.249 2.174 20 0 GEADRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624223664 652277240 /nfs/dbraw/zinc/27/72/40/652277240.db2.gz ZZYUAQCLMDRPFO-WFBYXXMGSA-N 1 0 389.315 2.315 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000578546945 652277267 /nfs/dbraw/zinc/27/72/67/652277267.db2.gz AJWQQWMPMHOZBF-UHFFFAOYSA-N 1 0 394.317 2.419 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000624225623 652277495 /nfs/dbraw/zinc/27/74/95/652277495.db2.gz ZDKNPIASFNYLQK-CQSZACIVSA-N 1 0 375.897 2.071 20 0 GEADRO CC(C)(O)C[N@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1 ZINC000750047569 652279765 /nfs/dbraw/zinc/27/97/65/652279765.db2.gz OVYUIYBCCSXOEF-UHFFFAOYSA-N 1 0 377.453 2.435 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624289628 652280763 /nfs/dbraw/zinc/28/07/63/652280763.db2.gz OJZCQGUBNFUMKQ-OAHLLOKOSA-N 1 0 381.325 2.431 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000624361721 652283218 /nfs/dbraw/zinc/28/32/18/652283218.db2.gz WMXORDRBKDIYNT-AWEZNQCLSA-N 1 0 377.279 2.271 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2OC(F)F)CC[C@H]1C(F)(F)F ZINC000624390966 652287762 /nfs/dbraw/zinc/28/77/62/652287762.db2.gz NBMSAMVGZRZOFF-VHSXEESVSA-N 1 0 388.358 2.436 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000578722486 652288641 /nfs/dbraw/zinc/28/86/41/652288641.db2.gz XVPMEWPAFDBRNJ-IXDOHACOSA-N 1 0 396.329 2.451 20 0 GEADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)C[NH2+]1 ZINC000624404238 652290955 /nfs/dbraw/zinc/29/09/55/652290955.db2.gz LCGYZRVAUAZSBZ-MNOVXSKESA-N 1 0 386.315 2.360 20 0 GEADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000578759199 652291013 /nfs/dbraw/zinc/29/10/13/652291013.db2.gz XIPKFCCWZQQJJW-UHFFFAOYSA-N 1 0 387.567 2.172 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624406507 652291780 /nfs/dbraw/zinc/29/17/80/652291780.db2.gz DSFSIEXXTHAKRW-PWSUYJOCSA-N 1 0 377.304 2.267 20 0 GEADRO CN(CCOCC[NH3+])S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000624409855 652291973 /nfs/dbraw/zinc/29/19/73/652291973.db2.gz VOBRQMKHIRHZHR-UHFFFAOYSA-N 1 0 376.906 2.115 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000578781584 652293647 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C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000751974587 652373830 /nfs/dbraw/zinc/37/38/30/652373830.db2.gz TZIVTWCMCKMKME-UHFFFAOYSA-N 1 0 382.917 2.112 20 0 GEADRO [NH3+]CCCOCCNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000625880973 652374495 /nfs/dbraw/zinc/37/44/95/652374495.db2.gz XKZDABWPHQABEP-UHFFFAOYSA-N 1 0 396.289 2.181 20 0 GEADRO COc1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)c(Cl)cc1Br ZINC000625900742 652375571 /nfs/dbraw/zinc/37/55/71/652375571.db2.gz DXZNUEYIHVGARI-MRVPVSSYSA-N 1 0 378.654 2.221 20 0 GEADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000751988374 652375612 /nfs/dbraw/zinc/37/56/12/652375612.db2.gz HBVIJPDRZCEVGH-UHFFFAOYSA-N 1 0 384.889 2.083 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000580325311 652376187 /nfs/dbraw/zinc/37/61/87/652376187.db2.gz VJGXJOUTPJHIKX-MWLCHTKSSA-N 1 0 398.248 2.415 20 0 GEADRO CN(C)C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000625982464 652377987 /nfs/dbraw/zinc/37/79/87/652377987.db2.gz AFUBGASIVMZTAS-KRWDZBQOSA-N 1 0 387.355 2.350 20 0 GEADRO O=S(=O)(CC[NH2+]CCCc1c(F)cccc1Cl)N1CCSCC1 ZINC000580395261 652379033 /nfs/dbraw/zinc/37/90/33/652379033.db2.gz YMKZOVNRIFNSNY-UHFFFAOYSA-N 1 0 380.938 2.380 20 0 GEADRO COc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000626008655 652379254 /nfs/dbraw/zinc/37/92/54/652379254.db2.gz FBVSYYKJLAPZPD-CYBMUJFWSA-N 1 0 383.286 2.252 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ncc(Br)cn1 ZINC000580413280 652379819 /nfs/dbraw/zinc/37/98/19/652379819.db2.gz BWUMGJIWECTPNH-XHDPSFHLSA-N 1 0 390.285 2.486 20 0 GEADRO CCc1ccc(-c2nc(CN3CCC(NS(N)(=O)=O)CC3)cs2)cc1 ZINC000626033466 652379980 /nfs/dbraw/zinc/37/99/80/652379980.db2.gz SCCWBEGVNICCIU-UHFFFAOYSA-N 1 0 380.539 2.130 20 0 GEADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CCCC(=O)OC(C)(C)C)CC1 ZINC000580416900 652380043 /nfs/dbraw/zinc/38/00/43/652380043.db2.gz HRSWNFWAUMDPNX-HNNXBMFYSA-N 1 0 376.563 2.490 20 0 GEADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000580426492 652380478 /nfs/dbraw/zinc/38/04/78/652380478.db2.gz GYOXOEWHKNCEQR-QWHCGFSZSA-N 1 0 378.274 2.239 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000626039812 652380540 /nfs/dbraw/zinc/38/05/40/652380540.db2.gz PBMQYCKUTAQXPE-TZMCWYRMSA-N 1 0 392.297 2.225 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)CN1CC[NH+](CCCF)CC1 ZINC000626070562 652381528 /nfs/dbraw/zinc/38/15/28/652381528.db2.gz SXBQSJQWKVTIKR-HNNXBMFYSA-N 1 0 393.272 2.305 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000626101209 652382576 /nfs/dbraw/zinc/38/25/76/652382576.db2.gz LJCHDEUNWPUXEF-XHDPSFHLSA-N 1 0 381.325 2.288 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cncc(Br)c1 ZINC000580571980 652384432 /nfs/dbraw/zinc/38/44/32/652384432.db2.gz KGWLSGPKDXGVAR-SMDDNHRTSA-N 1 0 388.331 2.451 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000752396952 652385574 /nfs/dbraw/zinc/38/55/74/652385574.db2.gz UOSORNZIVFLUFP-NEPJUHHUSA-N 1 0 386.279 2.220 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000580640421 652386318 /nfs/dbraw/zinc/38/63/18/652386318.db2.gz AEUHXPKPBWWEMN-UHFFFAOYSA-N 1 0 382.707 2.132 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1Br ZINC000580708953 652389238 /nfs/dbraw/zinc/38/92/38/652389238.db2.gz VCVMRLQVTBVLIW-UHFFFAOYSA-N 1 0 398.349 2.242 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000580719902 652389955 /nfs/dbraw/zinc/38/99/55/652389955.db2.gz CRVHYPBDUUYEBV-CQSZACIVSA-N 1 0 386.334 2.216 20 0 GEADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000660150558 652390537 /nfs/dbraw/zinc/39/05/37/652390537.db2.gz JNLBPBHXGWQORJ-KGLIPLIRSA-N 1 0 386.480 2.480 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000580740215 652390548 /nfs/dbraw/zinc/39/05/48/652390548.db2.gz PTDMAVOVJLUVMH-UHFFFAOYSA-N 1 0 386.334 2.379 20 0 GEADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000660150560 652390550 /nfs/dbraw/zinc/39/05/50/652390550.db2.gz JNLBPBHXGWQORJ-ZIAGYGMSSA-N 1 0 386.480 2.480 20 0 GEADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000660151481 652390571 /nfs/dbraw/zinc/39/05/71/652390571.db2.gz SQHTUGXXFKVXMI-LSDHHAIUSA-N 1 0 380.501 2.327 20 0 GEADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1ncccc1Br ZINC000660150384 652390648 /nfs/dbraw/zinc/39/06/48/652390648.db2.gz POXAVEFWUFLDLD-UHFFFAOYSA-N 1 0 388.331 2.244 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000660157926 652391180 /nfs/dbraw/zinc/39/11/80/652391180.db2.gz LVACCNHADJQRJC-ZDUSSCGKSA-N 1 0 380.432 2.437 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2c(F)cccc2Cl)CCO1 ZINC000660159069 652391652 /nfs/dbraw/zinc/39/16/52/652391652.db2.gz YKMJLHZWRLUUHO-CYBMUJFWSA-N 1 0 378.897 2.352 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ncsc2Br)CC1 ZINC000580793790 652392594 /nfs/dbraw/zinc/39/25/94/652392594.db2.gz CIQLDCCYRLBBHO-UHFFFAOYSA-N 1 0 383.271 2.272 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000626562695 652396011 /nfs/dbraw/zinc/39/60/11/652396011.db2.gz BZQNIIWMSPXORD-SECBINFHSA-N 1 0 380.645 2.430 20 0 GEADRO CC(C)(C)n1nnc(CC[NH2+][C@H](CCO)c2ccccc2Br)n1 ZINC000660237493 652396230 /nfs/dbraw/zinc/39/62/30/652396230.db2.gz FLJHVAVCSFVOFT-CQSZACIVSA-N 1 0 382.306 2.446 20 0 GEADRO CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000753145432 652400197 /nfs/dbraw/zinc/40/01/97/652400197.db2.gz FHRABPBBEJCZCJ-CABCVRRESA-N 1 0 377.551 2.084 20 0 GEADRO CO[C@H](C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1)[C@@H]1CCOC1 ZINC000660403313 652401202 /nfs/dbraw/zinc/40/12/02/652401202.db2.gz VZWRQPVXJYSWSE-VXGBXAGGSA-N 1 0 380.436 2.121 20 0 GEADRO COC[C@@H](C[NH+]1CCN(Cc2cc(Br)ccc2F)CC1)OC ZINC000660464527 652403255 /nfs/dbraw/zinc/40/32/55/652403255.db2.gz BJZOYUJQUCWEID-OAHLLOKOSA-N 1 0 375.282 2.367 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626830359 652404246 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2.316 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000581208744 652406298 /nfs/dbraw/zinc/40/62/98/652406298.db2.gz XPLSDTZXQDFGPC-OAHLLOKOSA-N 1 0 396.329 2.398 20 0 GEADRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000626853107 652406412 /nfs/dbraw/zinc/40/64/12/652406412.db2.gz LXATUXDSEQJHOV-UHFFFAOYSA-N 1 0 382.180 2.214 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000626860205 652406452 /nfs/dbraw/zinc/40/64/52/652406452.db2.gz BYWBXNAZXFNGDH-PSASIEDQSA-N 1 0 381.757 2.403 20 0 GEADRO Nc1n[nH]c(C2CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)n1 ZINC000660567401 652406684 /nfs/dbraw/zinc/40/66/84/652406684.db2.gz FDVYWJYMTILAMX-NSHDSACASA-N 1 0 386.283 2.313 20 0 GEADRO C[C@H](CNC(=O)N(C)CCn1cc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000581211543 652406655 /nfs/dbraw/zinc/40/66/55/652406655.db2.gz GMNPUYTWKPTQOF-CQSZACIVSA-N 1 0 386.338 2.407 20 0 GEADRO Nc1n[nH]c(C2CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000660568945 652406980 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2.412 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC000660638335 652408477 /nfs/dbraw/zinc/40/84/77/652408477.db2.gz JIQFBCIDQYIBIT-CQSZACIVSA-N 1 0 381.318 2.029 20 0 GEADRO O=C(Cc1ccc(I)cc1)OCC[NH+]1CCSCC1 ZINC000753457964 652408737 /nfs/dbraw/zinc/40/87/37/652408737.db2.gz SBBWKMWNWHKPQO-UHFFFAOYSA-N 1 0 391.274 2.426 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1Br ZINC000626901667 652408981 /nfs/dbraw/zinc/40/89/81/652408981.db2.gz NNTPPQYEPGSOKO-HDICACEKSA-N 1 0 394.313 2.462 20 0 GEADRO Cc1nc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)oc1-c1ccc(Cl)cc1 ZINC000581305290 652409749 /nfs/dbraw/zinc/40/97/49/652409749.db2.gz BPLRCIQCLAFHJW-UHFFFAOYSA-N 1 0 384.885 2.333 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CCCS1 ZINC000581305724 652409814 /nfs/dbraw/zinc/40/98/14/652409814.db2.gz VVMBMVXYSBYGFY-AWEZNQCLSA-N 1 0 391.580 2.129 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)NCCCc1ccc(Br)cc1F ZINC000626979964 652410153 /nfs/dbraw/zinc/41/01/53/652410153.db2.gz NKYLPKAYKHFJEB-UHFFFAOYSA-N 1 0 390.297 2.398 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2F)C1 ZINC000581315787 652410498 /nfs/dbraw/zinc/41/04/98/652410498.db2.gz RVXWVGFJKIARDZ-SNVBAGLBSA-N 1 0 376.245 2.014 20 0 GEADRO C[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)Oc1ccccc1Br ZINC000626994221 652410853 /nfs/dbraw/zinc/41/08/53/652410853.db2.gz ZZYNLCBWSNQDBG-GFCCVEGCSA-N 1 0 386.290 2.024 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCCNc2cc[nH+]cc2C)c1 ZINC000581327674 652411004 /nfs/dbraw/zinc/41/10/04/652411004.db2.gz NUCFUWHPFRMDRV-UHFFFAOYSA-N 1 0 384.299 2.273 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NCCOCCC[NH3+] ZINC000627002614 652411339 /nfs/dbraw/zinc/41/13/39/652411339.db2.gz UHYLAQXYRRLQKQ-NSHDSACASA-N 1 0 376.270 2.184 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)CCOCC[NH3+] ZINC000627009657 652411627 /nfs/dbraw/zinc/41/16/27/652411627.db2.gz ROTHEUDRSLWAFP-WFASDCNBSA-N 1 0 388.306 2.142 20 0 GEADRO C[NH2+]CCOCCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000627011093 652411986 /nfs/dbraw/zinc/41/19/86/652411986.db2.gz XIXBKLWJQXUKPD-LBPRGKRZSA-N 1 0 375.300 2.107 20 0 GEADRO CN(CCOCC[NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000627009772 652412015 /nfs/dbraw/zinc/41/20/15/652412015.db2.gz JHWFZURFBVKPAJ-GFCCVEGCSA-N 1 0 375.300 2.189 20 0 GEADRO [NH3+]CC1(NC(=O)NCCc2ccc(Br)cc2Cl)CCOCC1 ZINC000627044973 652413171 /nfs/dbraw/zinc/41/31/71/652413171.db2.gz GOTIYLCHTXKYHC-UHFFFAOYSA-N 1 0 390.709 2.452 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000627066227 652413648 /nfs/dbraw/zinc/41/36/48/652413648.db2.gz KCQFGKXLCASZEV-GDBMZVCRSA-N 1 0 395.345 2.242 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3csnn3)CC2)cc1 ZINC000581475861 652414417 /nfs/dbraw/zinc/41/44/17/652414417.db2.gz SXCVCJINWURDFJ-GFCCVEGCSA-N 1 0 382.511 2.051 20 0 GEADRO COCC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)C[C@H](O)C(F)(F)F ZINC000660922483 652414697 /nfs/dbraw/zinc/41/46/97/652414697.db2.gz DPPLIBIMACIQDM-KBPBESRZSA-N 1 0 378.416 2.361 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CCOCC1 ZINC000627154381 652416254 /nfs/dbraw/zinc/41/62/54/652416254.db2.gz IJCLIXCAFORARJ-HNNXBMFYSA-N 1 0 398.301 2.040 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000627161875 652416665 /nfs/dbraw/zinc/41/66/65/652416665.db2.gz ZPUAAWZQZZIRHD-JKSUJKDBSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)C[NH2+]1 ZINC000627201792 652418383 /nfs/dbraw/zinc/41/83/83/652418383.db2.gz DIYAHYCAORLQKN-UMVBOHGHSA-N 1 0 384.318 2.040 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661140735 652420078 /nfs/dbraw/zinc/42/00/78/652420078.db2.gz JSSREUQCFDBQNX-GFCCVEGCSA-N 1 0 398.330 2.083 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000581666524 652420960 /nfs/dbraw/zinc/42/09/60/652420960.db2.gz KIFZMEWNFGBFJE-MRXNPFEDSA-N 1 0 391.921 2.349 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000581672535 652421303 /nfs/dbraw/zinc/42/13/03/652421303.db2.gz OXRRUVIDPJOIBQ-CYBMUJFWSA-N 1 0 396.329 2.084 20 0 GEADRO COC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CCOCC1 ZINC000661158548 652421518 /nfs/dbraw/zinc/42/15/18/652421518.db2.gz BNCJQDKWBCVUHG-NVXWUHKLSA-N 1 0 388.302 2.220 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627262406 652421639 /nfs/dbraw/zinc/42/16/39/652421639.db2.gz NGHITTQKUXICSW-XOKHGSTOSA-N 1 0 381.314 2.295 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)c2ccccc2Br)C[NH2+]1 ZINC000627335609 652423436 /nfs/dbraw/zinc/42/34/36/652423436.db2.gz ATIVYNQUKGHUII-QWHCGFSZSA-N 1 0 396.329 2.100 20 0 GEADRO O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000581771766 652425464 /nfs/dbraw/zinc/42/54/64/652425464.db2.gz WSMQJSNDIQZCMB-YQFWSFKMSA-N 1 0 382.551 2.042 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2nc(C)c(C(F)(F)F)s2)CC1 ZINC000581774715 652425476 /nfs/dbraw/zinc/42/54/76/652425476.db2.gz IXMHVSABFZOHSE-UHFFFAOYSA-N 1 0 378.420 2.257 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627399878 652426452 /nfs/dbraw/zinc/42/64/52/652426452.db2.gz DNBNHVLSTIUFAP-XNRPHZJLSA-N 1 0 394.313 2.022 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627400934 652426459 /nfs/dbraw/zinc/42/64/59/652426459.db2.gz HHNITCOUIIBZDN-DZGCQCFKSA-N 1 0 396.329 2.269 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627402990 652426668 /nfs/dbraw/zinc/42/66/68/652426668.db2.gz VYSRAQVZGQMPNN-DIOULYMOSA-N 1 0 394.313 2.007 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627406496 652426748 /nfs/dbraw/zinc/42/67/48/652426748.db2.gz IVTVQUWUQWGIMT-ZFWWWQNUSA-N 1 0 396.329 2.269 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000627411173 652427021 /nfs/dbraw/zinc/42/70/21/652427021.db2.gz YPAYFJFBEIITIM-XNRPHZJLSA-N 1 0 396.329 2.253 20 0 GEADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000627413146 652427026 /nfs/dbraw/zinc/42/70/26/652427026.db2.gz BJRDESOQZYKKDL-WCQYABFASA-N 1 0 382.302 2.007 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627411248 652427028 /nfs/dbraw/zinc/42/70/28/652427028.db2.gz AVZKCOUBINILNM-MBNYWOFBSA-N 1 0 382.302 2.007 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627452065 652428291 /nfs/dbraw/zinc/42/82/91/652428291.db2.gz ZVBCGWGFKLUSQO-UHFFFAOYSA-N 1 0 380.645 2.200 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627457816 652428690 /nfs/dbraw/zinc/42/86/90/652428690.db2.gz KPUCOMYHTYOMDY-JKSUJKDBSA-N 1 0 396.329 2.444 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000627460295 652428753 /nfs/dbraw/zinc/42/87/53/652428753.db2.gz GCHHDFBDSVRJOB-JKSUJKDBSA-N 1 0 396.329 2.443 20 0 GEADRO Cc1cc2c(Br)ccnc2cc1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581954914 652429114 /nfs/dbraw/zinc/42/91/14/652429114.db2.gz PEWJOCJYGDYHRQ-BXUZGUMPSA-N 1 0 375.270 2.054 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627477917 652429503 /nfs/dbraw/zinc/42/95/03/652429503.db2.gz DSHSPJIGBOPIRN-UKRRQHHQSA-N 1 0 396.329 2.444 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000661377522 652429637 /nfs/dbraw/zinc/42/96/37/652429637.db2.gz OSNQTLZKDVEJTH-CYBMUJFWSA-N 1 0 392.352 2.397 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CN1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000661386342 652429838 /nfs/dbraw/zinc/42/98/38/652429838.db2.gz RXUSNHYZFHACFM-OAHLLOKOSA-N 1 0 376.328 2.055 20 0 GEADRO [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000627487871 652429950 /nfs/dbraw/zinc/42/99/50/652429950.db2.gz MQLYJTIWZYBTIT-HNNXBMFYSA-N 1 0 388.295 2.139 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000627500107 652430589 /nfs/dbraw/zinc/43/05/89/652430589.db2.gz NSPMKUDDBCYYQS-NORZTCDRSA-N 1 0 375.519 2.150 20 0 GEADRO CC[N@H+](C)C[C@@H](O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000582010779 652431595 /nfs/dbraw/zinc/43/15/95/652431595.db2.gz CONSJDBXHCXRRF-CYBMUJFWSA-N 1 0 380.842 2.188 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627570633 652433002 /nfs/dbraw/zinc/43/30/02/652433002.db2.gz PRJRRBSUWDKILW-PWUKJLEFSA-N 1 0 393.325 2.298 20 0 GEADRO O=C(CN1CCOc2cc(Br)ccc21)NC1CC[NH+](C2CC2)CC1 ZINC000661584753 652433705 /nfs/dbraw/zinc/43/37/05/652433705.db2.gz SYGCTVUEJAIRGV-UHFFFAOYSA-N 1 0 394.313 2.391 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1cccc(Br)c1 ZINC000661599265 652434506 /nfs/dbraw/zinc/43/45/06/652434506.db2.gz SQEFDTULBNPPAB-DOMZBBRYSA-N 1 0 380.286 2.378 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCOc2cccc(Cl)c2Cl)CC1 ZINC000582112257 652435996 /nfs/dbraw/zinc/43/59/96/652435996.db2.gz KIAAZFFEIFTOSV-NSHDSACASA-N 1 0 388.295 2.074 20 0 GEADRO CCOc1c(Br)cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1OC ZINC000627644844 652437034 /nfs/dbraw/zinc/43/70/34/652437034.db2.gz GWOQEUUOGHPJQX-JYAVWHMHSA-N 1 0 383.286 2.488 20 0 GEADRO COC(=O)C[C@@](C)(NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000582150502 652437344 /nfs/dbraw/zinc/43/73/44/652437344.db2.gz DKWQLWJJTOIQPQ-SJLPKXTDSA-N 1 0 399.329 2.272 20 0 GEADRO O=C(CNC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)N1CC[NH2+]CC1 ZINC000582171416 652438491 /nfs/dbraw/zinc/43/84/91/652438491.db2.gz UBRRKOKGACCCSX-OAHLLOKOSA-N 1 0 385.295 2.272 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)ccc1Br ZINC000627828397 652440578 /nfs/dbraw/zinc/44/05/78/652440578.db2.gz ZRLPHUFPNUVXBU-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000582414680 652449319 /nfs/dbraw/zinc/44/93/19/652449319.db2.gz XFKGTJYELDNBTD-CQSZACIVSA-N 1 0 379.913 2.348 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662155105 652449426 /nfs/dbraw/zinc/44/94/26/652449426.db2.gz HPACPNLNSCPNSH-DYVFJYSZSA-N 1 0 396.329 2.307 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662251125 652454263 /nfs/dbraw/zinc/45/42/63/652454263.db2.gz ZKTBXOSNRGNBIP-ZDUSSCGKSA-N 1 0 384.307 2.272 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)co1)c1cccs1 ZINC000662268260 652454778 /nfs/dbraw/zinc/45/47/78/652454778.db2.gz JLWBLGAZXUCRDY-QMMMGPOBSA-N 1 0 376.360 2.113 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(CC(=O)Nc2ccccc2Br)CCO1 ZINC000662322017 652455679 /nfs/dbraw/zinc/45/56/79/652455679.db2.gz STCOXVBWRYXFEZ-AWEZNQCLSA-N 1 0 384.318 2.430 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662328842 652456047 /nfs/dbraw/zinc/45/60/47/652456047.db2.gz FSURGKHRRMCXFP-LBPRGKRZSA-N 1 0 382.224 2.229 20 0 GEADRO O=C(NCCOc1cccc(Br)c1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662399783 652459067 /nfs/dbraw/zinc/45/90/67/652459067.db2.gz BVBKKRHDCHIYBF-NSHDSACASA-N 1 0 379.258 2.058 20 0 GEADRO N[C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1Br ZINC000662397625 652459120 /nfs/dbraw/zinc/45/91/20/652459120.db2.gz IVHYLNPWUYHFQF-MRXNPFEDSA-N 1 0 377.286 2.140 20 0 GEADRO O=C(NCCC[NH2+]Cc1cccnc1)c1sc2c(c1Br)CNC2 ZINC000662397535 652459126 /nfs/dbraw/zinc/45/91/26/652459126.db2.gz FLWAWDAHMCSZQI-UHFFFAOYSA-N 1 0 395.326 2.419 20 0 GEADRO Cc1sc(CNC(=O)c2cn(CC[NH3+])nn2)nc1-c1ccc(Cl)cc1 ZINC000662405487 652459351 /nfs/dbraw/zinc/45/93/51/652459351.db2.gz ZBSUOWGGAPFHAN-UHFFFAOYSA-N 1 0 376.873 2.252 20 0 GEADRO Cc1c2cc(C(=O)N(C)CCN3CC[NH2+]CC3)[nH]c2ccc1Br ZINC000662412552 652459851 /nfs/dbraw/zinc/45/98/51/652459851.db2.gz NVZSIHPEVCEMJR-UHFFFAOYSA-N 1 0 379.302 2.216 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC(Oc3cccc(Br)c3)CC2)O1 ZINC000582723614 652460575 /nfs/dbraw/zinc/46/05/75/652460575.db2.gz NDSAHQPFDFYXQD-CVEARBPZSA-N 1 0 383.286 2.325 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CCO1 ZINC000662431261 652460553 /nfs/dbraw/zinc/46/05/53/652460553.db2.gz IQLMVYXZJBMSSK-WBMJQRKESA-N 1 0 382.302 2.238 20 0 GEADRO O=C(NCc1cc(F)ccc1Br)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662467566 652462974 /nfs/dbraw/zinc/46/29/74/652462974.db2.gz HSMMLKFXUKELHM-ZDUSSCGKSA-N 1 0 396.264 2.424 20 0 GEADRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000582841052 652463631 /nfs/dbraw/zinc/46/36/31/652463631.db2.gz WKEONQYCCLNWIU-ADEWGFFLSA-N 1 0 392.677 2.383 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000628585394 652463799 /nfs/dbraw/zinc/46/37/99/652463799.db2.gz CVTYBRLGTHQDEA-ZDUSSCGKSA-N 1 0 377.794 2.428 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000582846333 652463853 /nfs/dbraw/zinc/46/38/53/652463853.db2.gz JCMFLNHPUBOXNH-LBPRGKRZSA-N 1 0 394.273 2.444 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662488512 652464095 /nfs/dbraw/zinc/46/40/95/652464095.db2.gz QARWEQILFLGUPY-KRWDZBQOSA-N 1 0 398.345 2.455 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662550746 652467585 /nfs/dbraw/zinc/46/75/85/652467585.db2.gz MPJUEIOJTFWYGT-UHFFFAOYSA-N 1 0 380.286 2.487 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662550787 652467696 /nfs/dbraw/zinc/46/76/96/652467696.db2.gz RMNNVAVPJCIIJX-UHFFFAOYSA-N 1 0 395.257 2.308 20 0 GEADRO CC[N@H+](CC(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000628682539 652468530 /nfs/dbraw/zinc/46/85/30/652468530.db2.gz OPPXKXNQZGUONC-SFHVURJKSA-N 1 0 381.314 2.269 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000662611108 652469215 /nfs/dbraw/zinc/46/92/15/652469215.db2.gz IHQJGWRWCDBITG-UHFFFAOYSA-N 1 0 396.285 2.021 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662591584 652469283 /nfs/dbraw/zinc/46/92/83/652469283.db2.gz UJUXYJIJUNXFDC-CYBMUJFWSA-N 1 0 392.301 2.344 20 0 GEADRO [NH3+]C1(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCCC1 ZINC000662651758 652469953 /nfs/dbraw/zinc/46/99/53/652469953.db2.gz FTGKYGGXRDSAEE-GFCCVEGCSA-N 1 0 380.286 2.190 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc(F)c1Br ZINC000662695787 652470755 /nfs/dbraw/zinc/47/07/55/652470755.db2.gz OGEQPJFEJDNUDY-GFCCVEGCSA-N 1 0 398.276 2.436 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000662680193 652470841 /nfs/dbraw/zinc/47/08/41/652470841.db2.gz XKTQTHMTXIRTAO-UHFFFAOYSA-N 1 0 397.298 2.443 20 0 GEADRO CC(C)(C)N1C[C@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1=O ZINC000662707646 652471114 /nfs/dbraw/zinc/47/11/14/652471114.db2.gz GKVJOONAMQRWFR-KPZWWZAWSA-N 1 0 396.329 2.386 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1Cl ZINC000583024590 652471605 /nfs/dbraw/zinc/47/16/05/652471605.db2.gz DORCXDVUJCVPQY-JTQLQIEISA-N 1 0 389.649 2.378 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000662717912 652471661 /nfs/dbraw/zinc/47/16/61/652471661.db2.gz TUAOBGWBTCLQGW-UHFFFAOYSA-N 1 0 379.233 2.256 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cc2cccc(Br)c2)CC1 ZINC000662745934 652472838 /nfs/dbraw/zinc/47/28/38/652472838.db2.gz QCALQYLBVKLDRW-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662745163 652472877 /nfs/dbraw/zinc/47/28/77/652472877.db2.gz GZDRXFIAGHJNCJ-COXVUDFISA-N 1 0 396.329 2.018 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2sccc2Br)CC1 ZINC000662744771 652472887 /nfs/dbraw/zinc/47/28/87/652472887.db2.gz GEKKASAJAFIQHK-UHFFFAOYSA-N 1 0 388.331 2.231 20 0 GEADRO CCN(C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1)CC(F)(F)F ZINC000662748889 652473099 /nfs/dbraw/zinc/47/30/99/652473099.db2.gz FBLKDUVZBIKNHC-YPMHNXCESA-N 1 0 375.357 2.261 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C2(c3ccc(Br)cc3)CCC2)n1 ZINC000662750475 652473250 /nfs/dbraw/zinc/47/32/50/652473250.db2.gz SRBBVGPTEDPUGI-UHFFFAOYSA-N 1 0 391.269 2.142 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC[C@H]1F ZINC000662750623 652473313 /nfs/dbraw/zinc/47/33/13/652473313.db2.gz VHKFPUXIADNEAN-OAGGEKHMSA-N 1 0 384.293 2.484 20 0 GEADRO Cn1ncc2c1CCCN(C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C2 ZINC000662761102 652473533 /nfs/dbraw/zinc/47/35/33/652473533.db2.gz NWSYKNZNTPRTIL-KRWDZBQOSA-N 1 0 377.286 2.332 20 0 GEADRO N[C@@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccccc1Br ZINC000662764532 652473575 /nfs/dbraw/zinc/47/35/75/652473575.db2.gz QKOAFUYDVPFJLD-MEDUHNTESA-N 1 0 375.270 2.299 20 0 GEADRO Cc1cc(Br)cc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c1N ZINC000662765014 652473579 /nfs/dbraw/zinc/47/35/79/652473579.db2.gz CPKHIDKKVKEDNB-LBPRGKRZSA-N 1 0 393.289 2.498 20 0 GEADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862288 652476641 /nfs/dbraw/zinc/47/66/41/652476641.db2.gz JSSWBEKOHAZBCR-GFCCVEGCSA-N 1 0 378.270 2.194 20 0 GEADRO C[C@H]1CSCCN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000583226943 652478164 /nfs/dbraw/zinc/47/81/64/652478164.db2.gz NRMVTKOBEPVMAI-CZUORRHYSA-N 1 0 383.945 2.270 20 0 GEADRO COCCN1C(=O)C[C@@H](N2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000583243832 652478389 /nfs/dbraw/zinc/47/83/89/652478389.db2.gz UWUVEFHOICZDGS-UKRRQHHQSA-N 1 0 381.270 2.012 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000662931949 652478940 /nfs/dbraw/zinc/47/89/40/652478940.db2.gz KCMQNVAXYCFIME-RDJZCZTQSA-N 1 0 396.329 2.432 20 0 GEADRO CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000583260098 652479325 /nfs/dbraw/zinc/47/93/25/652479325.db2.gz JGIKVZXNVSGNBD-STQMWFEESA-N 1 0 397.317 2.409 20 0 GEADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCOc2cc(Br)ccc2C1 ZINC000662940582 652479433 /nfs/dbraw/zinc/47/94/33/652479433.db2.gz XACORSRMBHKBAG-LBPRGKRZSA-N 1 0 375.213 2.415 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC[C@H]1[NH3+] ZINC000662968391 652479721 /nfs/dbraw/zinc/47/97/21/652479721.db2.gz FLIQLDGIYAHWRM-IAQYHMDHSA-N 1 0 384.307 2.464 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C1 ZINC000662969660 652480008 /nfs/dbraw/zinc/48/00/08/652480008.db2.gz WAPXMNUJODWPEF-DGCLKSJQSA-N 1 0 384.307 2.464 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)C2 ZINC000662993063 652480892 /nfs/dbraw/zinc/48/08/92/652480892.db2.gz LHZQNSNNFVZJSW-LBPRGKRZSA-N 1 0 394.313 2.186 20 0 GEADRO C[C@]1(NC(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)CC[NH2+]C1 ZINC000663007869 652481118 /nfs/dbraw/zinc/48/11/18/652481118.db2.gz CMLRPNIHWARGKX-ZDUSSCGKSA-N 1 0 394.191 2.275 20 0 GEADRO C[C@@]1(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[NH2+]C1 ZINC000663011590 652481160 /nfs/dbraw/zinc/48/11/60/652481160.db2.gz OTUSRIGXTIOGKU-CQSZACIVSA-N 1 0 385.287 2.361 20 0 GEADRO CN(C)[C@]1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCSC1 ZINC000583494873 652487375 /nfs/dbraw/zinc/48/73/75/652487375.db2.gz IGMSJWHTRMDOJP-HOCLYGCPSA-N 1 0 389.359 2.216 20 0 GEADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000756097340 652487585 /nfs/dbraw/zinc/48/75/85/652487585.db2.gz KPCFEEVHNOORQF-HIFRSBDPSA-N 1 0 379.302 2.350 20 0 GEADRO O=S1(=O)CCCC[C@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000583626745 652492186 /nfs/dbraw/zinc/49/21/86/652492186.db2.gz ICVXXOZQWLVVHB-NEPJUHHUSA-N 1 0 382.309 2.290 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000663308980 652492820 /nfs/dbraw/zinc/49/28/20/652492820.db2.gz IKDLKUNSBSHLBD-VIFPVBQESA-N 1 0 382.738 2.452 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1Cl ZINC000663310741 652493128 /nfs/dbraw/zinc/49/31/28/652493128.db2.gz FEMKPDDYENVMRU-AWEZNQCLSA-N 1 0 383.297 2.049 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000629555388 652493090 /nfs/dbraw/zinc/49/30/90/652493090.db2.gz XGCUSVVDDPRAHI-KRWDZBQOSA-N 1 0 398.345 2.216 20 0 GEADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000663312236 652493457 /nfs/dbraw/zinc/49/34/57/652493457.db2.gz WBUUVBFPXGLKPF-GFCCVEGCSA-N 1 0 381.420 2.181 20 0 GEADRO CCCN1CC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000663364260 652495096 /nfs/dbraw/zinc/49/50/96/652495096.db2.gz GQBBGPULSJEYSW-CQSZACIVSA-N 1 0 375.332 2.297 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000663363790 652495240 /nfs/dbraw/zinc/49/52/40/652495240.db2.gz MQMKRPWXWKGROE-NSHDSACASA-N 1 0 382.309 2.290 20 0 GEADRO CCCN1CC[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000663365723 652495445 /nfs/dbraw/zinc/49/54/45/652495445.db2.gz RKLPKLKACHZEEY-HUUCEWRRSA-N 1 0 375.282 2.402 20 0 GEADRO CN(C)S(=O)(=O)c1ccccc1N1CC[NH+](CCc2cccs2)CC1 ZINC000663418002 652497691 /nfs/dbraw/zinc/49/76/91/652497691.db2.gz MPFWKPKPGUHPMI-UHFFFAOYSA-N 1 0 379.551 2.363 20 0 GEADRO O[C@H](C[NH2+]Cc1c(Br)cncc1Br)[C@H]1CCOC1 ZINC000583877783 652501175 /nfs/dbraw/zinc/50/11/75/652501175.db2.gz XXEXWPLMVFLVFG-QPUJVOFHSA-N 1 0 380.080 2.094 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC[C@H](C)[NH+](C)C ZINC000663442744 652500666 /nfs/dbraw/zinc/50/06/66/652500666.db2.gz KOJZRGBPCNLMPI-LBPRGKRZSA-N 1 0 385.306 2.335 20 0 GEADRO CNS(=O)(=O)c1ccc(NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)nc1 ZINC000583884963 652501433 /nfs/dbraw/zinc/50/14/33/652501433.db2.gz UQISLSVIYWEFOB-INIZCTEOSA-N 1 0 380.539 2.426 20 0 GEADRO O=C(CCCCOc1ccc(Br)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000663489246 652501705 /nfs/dbraw/zinc/50/17/05/652501705.db2.gz CPFHZYOQEVZKRY-UHFFFAOYSA-N 1 0 383.286 2.199 20 0 GEADRO O=C(c1ccc(Br)cc1C(F)(F)F)N1CCOC2(C[NH2+]C2)C1 ZINC000663492001 652501715 /nfs/dbraw/zinc/50/17/15/652501715.db2.gz VWFYOUKAFWXXPZ-UHFFFAOYSA-N 1 0 379.176 2.282 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@]2(C)CC[NH2+]C2)ccc1Cl ZINC000663582156 652504695 /nfs/dbraw/zinc/50/46/95/652504695.db2.gz CGIDGABQSHANLP-MRXNPFEDSA-N 1 0 388.921 2.244 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC[C@@H]1[NH3+] ZINC000663603899 652505777 /nfs/dbraw/zinc/50/57/77/652505777.db2.gz KHEHMSFSIVGOKI-KWQFWETISA-N 1 0 379.766 2.373 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000584005536 652505869 /nfs/dbraw/zinc/50/58/69/652505869.db2.gz XBKVQDBBOJPGDX-VHSXEESVSA-N 1 0 395.294 2.358 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663606228 652506121 /nfs/dbraw/zinc/50/61/21/652506121.db2.gz YHMQEISKZKXNTA-DTWKUNHWSA-N 1 0 379.766 2.373 20 0 GEADRO O=c1cc(C[N@@H+](CCO)[C@H]2CCCSC2)nc2ccc(Br)cn12 ZINC000584091008 652508471 /nfs/dbraw/zinc/50/84/71/652508471.db2.gz YXLVTDWZQFPBRW-AWEZNQCLSA-N 1 0 398.326 2.147 20 0 GEADRO COc1nc(N2CCN(c3[nH+]ccc4[nH]ccc43)CC2)ncc1Br ZINC000663699304 652508940 /nfs/dbraw/zinc/50/89/40/652508940.db2.gz HTKFEZGGWZBXDT-UHFFFAOYSA-N 1 0 389.257 2.451 20 0 GEADRO O=C(CCc1cccc(F)c1Br)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000584123547 652510225 /nfs/dbraw/zinc/51/02/25/652510225.db2.gz ZDPIINOCXVNDOY-QGZVFWFLSA-N 1 0 385.277 2.094 20 0 GEADRO C[C@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)[NH+]1CC(C)C1 ZINC000584122085 652510249 /nfs/dbraw/zinc/51/02/49/652510249.db2.gz HPNUVPTVJSBRLO-CYBMUJFWSA-N 1 0 382.302 2.025 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000663739341 652510745 /nfs/dbraw/zinc/51/07/45/652510745.db2.gz KJKNTVZZHFZFTQ-CQSZACIVSA-N 1 0 394.317 2.035 20 0 GEADRO COc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(Br)cn1 ZINC000663753886 652511122 /nfs/dbraw/zinc/51/11/22/652511122.db2.gz CGLDOLHQOOIRFN-UKRRQHHQSA-N 1 0 383.334 2.315 20 0 GEADRO Cc1cc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(Br)s1 ZINC000584285959 652514838 /nfs/dbraw/zinc/51/48/38/652514838.db2.gz OXTNFMDTZIWAAW-LLVKDONJSA-N 1 0 384.303 2.347 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000584276697 652514875 /nfs/dbraw/zinc/51/48/75/652514875.db2.gz XKXSYDBQCGTZLU-NSHDSACASA-N 1 0 388.331 2.089 20 0 GEADRO Cc1c(C(=O)Nc2nnc(-c3ccsc3)s2)nnn1C1CC[NH2+]CC1 ZINC000584288878 652515266 /nfs/dbraw/zinc/51/52/66/652515266.db2.gz JCMWGQSIBYQFRM-UHFFFAOYSA-N 1 0 375.483 2.343 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000584290883 652515283 /nfs/dbraw/zinc/51/52/83/652515283.db2.gz NCPPBHOWMJNYHC-TVQRCGJNSA-N 1 0 392.233 2.460 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1)S(C)(=O)=O ZINC000584343889 652517341 /nfs/dbraw/zinc/51/73/41/652517341.db2.gz RIJLYCVXHKCBDL-AWEZNQCLSA-N 1 0 380.539 2.309 20 0 GEADRO COCCc1ncc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)s1 ZINC000631030618 652518394 /nfs/dbraw/zinc/51/83/94/652518394.db2.gz SPPZXEOVISMUAA-MRXNPFEDSA-N 1 0 380.583 2.472 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000631034203 652518408 /nfs/dbraw/zinc/51/84/08/652518408.db2.gz OOWMPIRJVAWEBR-MRXNPFEDSA-N 1 0 379.913 2.352 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)Nc1ccc(I)cc1 ZINC000584376025 652518914 /nfs/dbraw/zinc/51/89/14/652518914.db2.gz UEVJTLYZYWTTCQ-UHFFFAOYSA-N 1 0 382.205 2.342 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000584410727 652520183 /nfs/dbraw/zinc/52/01/83/652520183.db2.gz XTKNADZXRDOKDA-WDEREUQCSA-N 1 0 376.270 2.218 20 0 GEADRO Brc1cccc(NCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000631108347 652520294 /nfs/dbraw/zinc/52/02/94/652520294.db2.gz APHIPNOAEDWMGR-CYBMUJFWSA-N 1 0 380.290 2.279 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCNc1ccccc1 ZINC000757686135 652520676 /nfs/dbraw/zinc/52/06/76/652520676.db2.gz WEEADBUBUICCTH-HNNXBMFYSA-N 1 0 382.917 2.406 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)c1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631119197 652520800 /nfs/dbraw/zinc/52/08/00/652520800.db2.gz MJMZWNKWWUDSSE-NSHDSACASA-N 1 0 381.420 2.011 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cccc2c(Br)ccnc12 ZINC000584458046 652521730 /nfs/dbraw/zinc/52/17/30/652521730.db2.gz IZJXMNZPCIAYAO-LLVKDONJSA-N 1 0 379.258 2.497 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)C1 ZINC000664184828 652522459 /nfs/dbraw/zinc/52/24/59/652522459.db2.gz WCRYKNWNIAIDDL-IUODEOHRSA-N 1 0 390.311 2.389 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000584498495 652522953 /nfs/dbraw/zinc/52/29/53/652522953.db2.gz SMTKUJPAXMIPDG-CYBMUJFWSA-N 1 0 396.329 2.180 20 0 GEADRO 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GCVNBBBYSIIWKO-NSHDSACASA-N 1 0 379.320 2.390 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000632301112 652555396 /nfs/dbraw/zinc/55/53/96/652555396.db2.gz NAJXYKVRPQDGIF-SAABIXHNSA-N 1 0 385.961 2.143 20 0 GEADRO Cc1cc(S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)sn1 ZINC000632303455 652555624 /nfs/dbraw/zinc/55/56/24/652555624.db2.gz MRNDPVKXSMLVKE-OAHLLOKOSA-N 1 0 389.587 2.334 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000589231892 652562720 /nfs/dbraw/zinc/56/27/20/652562720.db2.gz UNEZDSLJOJNEEO-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO O=C(COC(=O)c1cccc(Br)c1F)NC1CC[NH+](C2CC2)CC1 ZINC000759149086 652564940 /nfs/dbraw/zinc/56/49/40/652564940.db2.gz NOMMIUHQEAXKJB-UHFFFAOYSA-N 1 0 399.260 2.488 20 0 GEADRO CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(I)cc1 ZINC000589355436 652566009 /nfs/dbraw/zinc/56/60/09/652566009.db2.gz DQQOKDLBSLCOHM-CYBMUJFWSA-N 1 0 396.294 2.223 20 0 GEADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1nc(C(F)(F)F)no1 ZINC000632479233 652566270 /nfs/dbraw/zinc/56/62/70/652566270.db2.gz ACZWRSYDQSFNJV-VIFPVBQESA-N 1 0 378.376 2.190 20 0 GEADRO C[NH+]1CCN(C[C@H](O)COc2cc(F)c(Cl)cc2Br)CC1 ZINC000666145231 652567433 /nfs/dbraw/zinc/56/74/33/652567433.db2.gz HIBCXISUHKSQHT-JTQLQIEISA-N 1 0 381.673 2.229 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000590116001 652575020 /nfs/dbraw/zinc/57/50/20/652575020.db2.gz POMUZSTYPWJBLA-CQSZACIVSA-N 1 0 385.295 2.411 20 0 GEADRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000590193007 652576421 /nfs/dbraw/zinc/57/64/21/652576421.db2.gz KUFKULCZXBNGEU-SNVBAGLBSA-N 1 0 375.238 2.260 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000666427177 652576451 /nfs/dbraw/zinc/57/64/51/652576451.db2.gz PASSRVOMXWJTHG-GFCCVEGCSA-N 1 0 393.289 2.029 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000666455199 652577457 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COCC[N@@H+]1CCC[C@H](NC(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000592103651 652585628 /nfs/dbraw/zinc/58/56/28/652585628.db2.gz UMTSQTPNQUJHDI-INIZCTEOSA-N 1 0 395.297 2.452 20 0 GEADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759843796 652589003 /nfs/dbraw/zinc/58/90/03/652589003.db2.gz IYLARAHYAXCABV-XJKSGUPXSA-N 1 0 378.897 2.306 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000633256772 652589944 /nfs/dbraw/zinc/58/99/44/652589944.db2.gz PGGFVMAOLQNPRD-BZZMCLGOSA-N 1 0 393.325 2.298 20 0 GEADRO O=C(Cc1csc(CCC(F)(F)F)n1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000633253704 652590069 /nfs/dbraw/zinc/59/00/69/652590069.db2.gz ZQTICXPJXFZLBZ-ZDUSSCGKSA-N 1 0 379.448 2.144 20 0 GEADRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000592197873 652590590 /nfs/dbraw/zinc/59/05/90/652590590.db2.gz PWBIEWZTMREDBG-CMPLNLGQSA-N 1 0 375.252 2.178 20 0 GEADRO O=C(CCOc1ccccc1Br)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592408239 652594152 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CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667262991 652599492 /nfs/dbraw/zinc/59/94/92/652599492.db2.gz RHXJJWDFVFGYDO-ZDUSSCGKSA-N 1 0 398.301 2.433 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667264554 652599538 /nfs/dbraw/zinc/59/95/38/652599538.db2.gz QCKMVMFOXRVHCF-QMMMGPOBSA-N 1 0 392.656 2.438 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633480667 652599684 /nfs/dbraw/zinc/59/96/84/652599684.db2.gz WLFVFCJGQAHGBH-ZYRRHWMLSA-N 1 0 393.325 2.298 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000592557305 652600302 /nfs/dbraw/zinc/60/03/02/652600302.db2.gz YZGSMOGMDGVJPC-QMTHXVAHSA-N 1 0 375.252 2.124 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NCC[NH2+]C2CC2)c1 ZINC000667297842 652600569 /nfs/dbraw/zinc/60/05/69/652600569.db2.gz JSIRIWUWMHFBJR-UHFFFAOYSA-N 1 0 384.274 2.043 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667352283 652601807 /nfs/dbraw/zinc/60/18/07/652601807.db2.gz GPDQMCGABQCCMG-SNVBAGLBSA-N 1 0 380.645 2.280 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000667375753 652602925 /nfs/dbraw/zinc/60/29/25/652602925.db2.gz RUABFSFIMOMDJY-LLVKDONJSA-N 1 0 379.262 2.232 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000667399630 652603727 /nfs/dbraw/zinc/60/37/27/652603727.db2.gz JVVZGTBIEQRCRP-BXUZGUMPSA-N 1 0 385.917 2.354 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000667473072 652606990 /nfs/dbraw/zinc/60/69/90/652606990.db2.gz KPXLQSSNTUAKMS-KWBADKCTSA-N 1 0 384.249 2.031 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000667513384 652609532 /nfs/dbraw/zinc/60/95/32/652609532.db2.gz SYIRGIMFHFMMMV-UHFFFAOYSA-N 1 0 381.889 2.080 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000667517578 652610033 /nfs/dbraw/zinc/61/00/33/652610033.db2.gz UXCJCKLIUJTBSL-LBPRGKRZSA-N 1 0 379.262 2.293 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000667522236 652610782 /nfs/dbraw/zinc/61/07/82/652610782.db2.gz MMFIYILGGCTIPZ-JTQLQIEISA-N 1 0 384.868 2.023 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667535171 652610867 /nfs/dbraw/zinc/61/08/67/652610867.db2.gz ARYGQMMIORFZLZ-ZYHUDNBSSA-N 1 0 384.249 2.046 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667539186 652611133 /nfs/dbraw/zinc/61/11/33/652611133.db2.gz XZJRKISYMFMWCG-BXKDBHETSA-N 1 0 386.677 2.251 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000667537161 652611139 /nfs/dbraw/zinc/61/11/39/652611139.db2.gz RUWPJQWHYABXMZ-IUODEOHRSA-N 1 0 380.286 2.215 20 0 GEADRO CCN(C[C@H]1CCN(C(=S)NCC2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000760491177 652611327 /nfs/dbraw/zinc/61/13/27/652611327.db2.gz MFMRWXNGQLJHSN-OAHLLOKOSA-N 1 0 380.524 2.409 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1F ZINC000667540753 652611520 /nfs/dbraw/zinc/61/15/20/652611520.db2.gz SNGLEUHNUOGROE-GXFFZTMASA-N 1 0 384.249 2.046 20 0 GEADRO CCOC(=O)c1sc([C@@H](C)NC(=S)NCC2CC[NH+](C)CC2)nc1C ZINC000760497031 652611638 /nfs/dbraw/zinc/61/16/38/652611638.db2.gz QFJQXHGXWREANR-GFCCVEGCSA-N 1 0 384.571 2.495 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1Br ZINC000667544649 652611813 /nfs/dbraw/zinc/61/18/13/652611813.db2.gz BTCNDFGPSDEGCV-SMDDNHRTSA-N 1 0 398.301 2.372 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[C@H]1[NH3+] ZINC000667545284 652612210 /nfs/dbraw/zinc/61/22/10/652612210.db2.gz ORMJUSLFQKJAOI-PRHODGIISA-N 1 0 390.228 2.252 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2c(C)ccc(F)c2Br)CC[C@H]1[NH3+] ZINC000667545203 652612240 /nfs/dbraw/zinc/61/22/40/652612240.db2.gz OBVGPWLQKDMBKA-CMPLNLGQSA-N 1 0 386.265 2.421 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)cs2)c1 ZINC000760512106 652612304 /nfs/dbraw/zinc/61/23/04/652612304.db2.gz PURLHBKNOGYKRN-UHFFFAOYSA-N 1 0 387.914 2.494 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2c(F)ccc(C)c2Br)CC[C@H]1[NH3+] ZINC000667548483 652612585 /nfs/dbraw/zinc/61/25/85/652612585.db2.gz NZYHQGDKJWDARM-ZYHUDNBSSA-N 1 0 386.265 2.421 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2C)CC[C@@H]1[NH3+] ZINC000667547055 652612607 /nfs/dbraw/zinc/61/26/07/652612607.db2.gz ZMAMNHSXMFQOCD-MFKMUULPSA-N 1 0 386.265 2.421 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC[C@@H]1[NH3+] ZINC000667550127 652612819 /nfs/dbraw/zinc/61/28/19/652612819.db2.gz GJLYMPWHGGKTOW-NHYWBVRUSA-N 1 0 394.313 2.462 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000667559304 652613348 /nfs/dbraw/zinc/61/33/48/652613348.db2.gz IQQCGNDGMPHGAF-ZCFIWIBFSA-N 1 0 388.173 2.336 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000667585520 652614382 /nfs/dbraw/zinc/61/43/82/652614382.db2.gz INSCZQDMGSFWDI-UWVGGRQHSA-N 1 0 392.656 2.199 20 0 GEADRO CCO[C@@H]1CN(Cc2c(F)ccc(I)c2F)C[C@H]1C[NH3+] ZINC000593314956 652616604 /nfs/dbraw/zinc/61/66/04/652616604.db2.gz ILXXOEJDRDHSEN-NOZJJQNGSA-N 1 0 396.219 2.365 20 0 GEADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cnc(Cl)c(C)c2)cc1 ZINC000760662486 652620046 /nfs/dbraw/zinc/62/00/46/652620046.db2.gz JFTRXULIUFYLAF-UHFFFAOYSA-N 1 0 383.901 2.258 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2sc(Br)cc2C)C[C@@H]1[NH+](C)C ZINC000593570350 652624842 /nfs/dbraw/zinc/62/48/42/652624842.db2.gz CUBSQEQKGUUAKS-VHSXEESVSA-N 1 0 399.401 2.485 20 0 GEADRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000760906241 652627686 /nfs/dbraw/zinc/62/76/86/652627686.db2.gz LIIASBYIPWYZEL-INIZCTEOSA-N 1 0 390.889 2.003 20 0 GEADRO Cc1[nH]nc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1Br ZINC000761006682 652629655 /nfs/dbraw/zinc/62/96/55/652629655.db2.gz JSERDXCWALCCPN-LLVKDONJSA-N 1 0 379.258 2.450 20 0 GEADRO C[NH+]1CCC(n2cc(NC(=O)COc3ccc(Br)cn3)cn2)CC1 ZINC000634098134 652630632 /nfs/dbraw/zinc/63/06/32/652630632.db2.gz RJIXUSPPFXBYDK-UHFFFAOYSA-N 1 0 394.273 2.325 20 0 GEADRO Cc1c(Br)cncc1C[N@@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000668146269 652630667 /nfs/dbraw/zinc/63/06/67/652630667.db2.gz BDWNLOOLOBWBQC-WBMJQRKESA-N 1 0 381.274 2.105 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000761074689 652631482 /nfs/dbraw/zinc/63/14/82/652631482.db2.gz YEABTIIPBWNGDR-GFCCVEGCSA-N 1 0 387.265 2.174 20 0 GEADRO COc1cc(C[NH2+][C@H](CO)CCF)cc(I)c1OC ZINC000593690175 652632045 /nfs/dbraw/zinc/63/20/45/652632045.db2.gz UFQZVIVWGPTFQN-JTQLQIEISA-N 1 0 383.201 2.119 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(F)cc1Br ZINC000668208347 652632936 /nfs/dbraw/zinc/63/29/36/652632936.db2.gz PPDKOPUIKORRMV-ZWNOBZJWSA-N 1 0 377.279 2.221 20 0 GEADRO C[NH+]1CCN(c2ccnc(NC(=O)c3ncccc3Br)c2)CC1 ZINC000634194385 652633815 /nfs/dbraw/zinc/63/38/15/652633815.db2.gz QJHBZCXOQYWJHC-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO C[N@@H+]1CCCC12CCN(C(=O)c1nccn3c(Br)cnc13)CC2 ZINC000761165075 652634983 /nfs/dbraw/zinc/63/49/83/652634983.db2.gz HURVGBCBUIPZPO-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000594003596 652636247 /nfs/dbraw/zinc/63/62/47/652636247.db2.gz DPEXPNYBMHOJIN-CHWSQXEVSA-N 1 0 388.249 2.287 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(Br)cc2)C1 ZINC000668435284 652641819 /nfs/dbraw/zinc/64/18/19/652641819.db2.gz BWOQLZJVGUAKPV-AWEZNQCLSA-N 1 0 385.302 2.443 20 0 GEADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668457943 652643161 /nfs/dbraw/zinc/64/31/61/652643161.db2.gz UGLVIZFKMVFNKB-LLVKDONJSA-N 1 0 379.258 2.245 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000668507814 652645634 /nfs/dbraw/zinc/64/56/34/652645634.db2.gz RBISSMMDQADDMF-RBSFLKMASA-N 1 0 376.316 2.172 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc(Br)cc1SC ZINC000594443900 652650726 /nfs/dbraw/zinc/65/07/26/652650726.db2.gz IKOWYSQNVWSJSS-GFCCVEGCSA-N 1 0 387.299 2.148 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1F ZINC000594452811 652653661 /nfs/dbraw/zinc/65/36/61/652653661.db2.gz DDQXIPNUCMXXFB-MFKMUULPSA-N 1 0 392.880 2.226 20 0 GEADRO O[C@H](C[NH2+]CCc1cc(Br)ccc1F)CC1(O)CCOCC1 ZINC000634700907 652654414 /nfs/dbraw/zinc/65/44/14/652654414.db2.gz HFDQMWROECJYPX-AWEZNQCLSA-N 1 0 376.266 2.013 20 0 GEADRO COc1cc(Br)c(C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)cc1OC ZINC000634702525 652654554 /nfs/dbraw/zinc/65/45/54/652654554.db2.gz IFALDNAUOTZZPN-GUYCJALGSA-N 1 0 388.302 2.468 20 0 GEADRO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000634700957 652654764 /nfs/dbraw/zinc/65/47/64/652654764.db2.gz HZWHRZMFEHUGDB-CXAGYDPISA-N 1 0 386.286 2.222 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH2+]CCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000634702837 652655455 /nfs/dbraw/zinc/65/54/55/652655455.db2.gz LZBQNEJABZVWKC-AEFFLSMTSA-N 1 0 399.329 2.071 20 0 GEADRO O=S1(=O)CCCC[C@H]1C[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634711386 652656533 /nfs/dbraw/zinc/65/65/33/652656533.db2.gz NVVZQRWAFXYFCG-ZFWWWQNUSA-N 1 0 382.309 2.290 20 0 GEADRO O[C@@H](C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)CC1(O)CCOCC1 ZINC000634715091 652658035 /nfs/dbraw/zinc/65/80/35/652658035.db2.gz XGHAOFQYVSLPJB-HZPDHXFCSA-N 1 0 385.302 2.177 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc(Br)cc3c1OCCO3)C2 ZINC000634741435 652661243 /nfs/dbraw/zinc/66/12/43/652661243.db2.gz CBADELFCQLYCNP-CALCHBBNSA-N 1 0 381.270 2.292 20 0 GEADRO C[N@@H+]1CCCN(CCCNC(=O)Cc2ccc(Br)cc2F)CC1 ZINC000668697960 652661484 /nfs/dbraw/zinc/66/14/84/652661484.db2.gz QBAYIUQRFNRZJA-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO CCN(C(=O)C(=O)NCc1sccc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000668726904 652663832 /nfs/dbraw/zinc/66/38/32/652663832.db2.gz PCIIPMOXEDBCTA-NSHDSACASA-N 1 0 388.331 2.070 20 0 GEADRO O=C(COC(=O)[C@@H]1CCSC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000762027162 652667624 /nfs/dbraw/zinc/66/76/24/652667624.db2.gz PLPJKAMCLFSTNT-OAHLLOKOSA-N 1 0 380.535 2.470 20 0 GEADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000668795523 652667682 /nfs/dbraw/zinc/66/76/82/652667682.db2.gz BJFVIHDZDCYPPR-MLGOLLRUSA-N 1 0 394.313 2.321 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC[N@@H+]1C ZINC000668892726 652673915 /nfs/dbraw/zinc/67/39/15/652673915.db2.gz JOQWIHAEDSKVCY-DGCLKSJQSA-N 1 0 384.307 2.477 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000634956267 652677586 /nfs/dbraw/zinc/67/75/86/652677586.db2.gz DIUDPCHLEGNBLZ-LBPRGKRZSA-N 1 0 390.299 2.277 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000634955332 652677653 /nfs/dbraw/zinc/67/76/53/652677653.db2.gz FBUOUDSEMOHNAI-KGLIPLIRSA-N 1 0 381.416 2.002 20 0 GEADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000634956394 652678215 /nfs/dbraw/zinc/67/82/15/652678215.db2.gz HWSYGHKYLJXEOX-NWDGAFQWSA-N 1 0 382.309 2.290 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000635103646 652690059 /nfs/dbraw/zinc/69/00/59/652690059.db2.gz CJZANCWPIKFVIM-ZDUSSCGKSA-N 1 0 385.917 2.405 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cscn1 ZINC000669296958 652690549 /nfs/dbraw/zinc/69/05/49/652690549.db2.gz ZADQXWGKLVRMOI-XHDPSFHLSA-N 1 0 380.901 2.393 20 0 GEADRO CCN(C(=O)C(=O)NCc1cc(Br)ccc1C)[C@H]1CC[N@H+](CC)C1 ZINC000669312167 652691504 /nfs/dbraw/zinc/69/15/04/652691504.db2.gz IGLJLAFWWZYLND-INIZCTEOSA-N 1 0 396.329 2.316 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635119775 652692917 /nfs/dbraw/zinc/69/29/17/652692917.db2.gz PAXBYBYMGWSKAE-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000594937851 652697069 /nfs/dbraw/zinc/69/70/69/652697069.db2.gz JCPOKGBUFIEFCN-QOWREQOWSA-N 1 0 381.270 2.342 20 0 GEADRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000594939049 652697105 /nfs/dbraw/zinc/69/71/05/652697105.db2.gz NWLAWLWNVZNCTJ-ZMLRMANQSA-N 1 0 379.400 2.396 20 0 GEADRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000594940074 652697579 /nfs/dbraw/zinc/69/75/79/652697579.db2.gz GQVJCTIFNRBSCQ-GARJFASQSA-N 1 0 395.308 2.059 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc(Br)c1OC ZINC000669432615 652698488 /nfs/dbraw/zinc/69/84/88/652698488.db2.gz XKWRXAGZEIIVLD-QGZVFWFLSA-N 1 0 398.301 2.361 20 0 GEADRO O=C(NCCCNC(=O)c1cccc(Br)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000669438639 652699114 /nfs/dbraw/zinc/69/91/14/652699114.db2.gz STSYNQRHXYNPGR-OAHLLOKOSA-N 1 0 397.317 2.010 20 0 GEADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)Nc1cscc1Cl ZINC000635208579 652700466 /nfs/dbraw/zinc/70/04/66/652700466.db2.gz VAKSXINLZQLHMX-UHFFFAOYSA-N 1 0 385.917 2.347 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669458027 652700842 /nfs/dbraw/zinc/70/08/42/652700842.db2.gz IWFQPHWGVCFLNJ-YSVLISHTSA-N 1 0 393.329 2.421 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000669458217 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2.166 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)nc12 ZINC000669559386 652705651 /nfs/dbraw/zinc/70/56/51/652705651.db2.gz UZYMNWOZZSIHJU-SWLSCSKDSA-N 1 0 392.301 2.299 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)cc1C(F)(F)F ZINC000595119493 652705953 /nfs/dbraw/zinc/70/59/53/652705953.db2.gz BTOYMMFMYUEBFL-UHFFFAOYSA-N 1 0 380.388 2.042 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000669573704 652707105 /nfs/dbraw/zinc/70/71/05/652707105.db2.gz NAEUYBGNDAOMHF-AWEZNQCLSA-N 1 0 385.555 2.073 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CCO1 ZINC000669582996 652707599 /nfs/dbraw/zinc/70/75/99/652707599.db2.gz WFQKTSOXGBASBK-LKTVYLICSA-N 1 0 383.290 2.053 20 0 GEADRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])COC(C)C)cc(Br)c1F ZINC000595252752 652710651 /nfs/dbraw/zinc/71/06/51/652710651.db2.gz FVPHTJLCUBSMCG-NSHDSACASA-N 1 0 377.210 2.066 20 0 GEADRO COC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1Br ZINC000595256591 652711319 /nfs/dbraw/zinc/71/13/19/652711319.db2.gz OWRBGLKMCGVZOS-JQWIXIFHSA-N 1 0 391.212 2.024 20 0 GEADRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1c(Cl)ccc(F)c1Cl ZINC000595264343 652712495 /nfs/dbraw/zinc/71/24/95/652712495.db2.gz VDOMPCDQKDVTTG-SBMIAAHKSA-N 1 0 389.258 2.147 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000595263316 652712516 /nfs/dbraw/zinc/71/25/16/652712516.db2.gz SHKGFKPWBVLQBE-QMMMGPOBSA-N 1 0 381.645 2.352 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1sccc1S(N)(=O)=O ZINC000669709473 652715124 /nfs/dbraw/zinc/71/51/24/652715124.db2.gz KANZFTJDZCJOOE-UHFFFAOYSA-N 1 0 381.523 2.167 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000669718696 652715644 /nfs/dbraw/zinc/71/56/44/652715644.db2.gz HQGSVCJARXFKFN-CYBMUJFWSA-N 1 0 393.278 2.035 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000762831911 652721266 /nfs/dbraw/zinc/72/12/66/652721266.db2.gz RPELVHCPXUJXPV-KRWDZBQOSA-N 1 0 384.933 2.081 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N(C)CCC[NH+]1CCN(C)CC1 ZINC000595400281 652722581 /nfs/dbraw/zinc/72/25/81/652722581.db2.gz FDSRUUNSNKQLCX-KRWDZBQOSA-N 1 0 398.345 2.233 20 0 GEADRO CC(C)CN(C)S(=O)(=O)N1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1 ZINC000669978412 652730276 /nfs/dbraw/zinc/73/02/76/652730276.db2.gz WPPBLOLBAWYDCD-HNNXBMFYSA-N 1 0 386.587 2.262 20 0 GEADRO O=C1C[C@@H](C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)CN1 ZINC000595507266 652732039 /nfs/dbraw/zinc/73/20/39/652732039.db2.gz UQWVKWRUFDDZHC-ZIAGYGMSSA-N 1 0 384.261 2.292 20 0 GEADRO O=C1C[C@H](C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)CN1 ZINC000595507264 652732257 /nfs/dbraw/zinc/73/22/57/652732257.db2.gz UQWVKWRUFDDZHC-KGLIPLIRSA-N 1 0 384.261 2.292 20 0 GEADRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000635469992 652733475 /nfs/dbraw/zinc/73/34/75/652733475.db2.gz SNUCGHGZJWRAAQ-CQSZACIVSA-N 1 0 394.313 2.075 20 0 GEADRO C[NH+]1CCC(NC(=O)NCCc2ccc(I)cc2)CC1 ZINC000595540696 652733732 /nfs/dbraw/zinc/73/37/32/652733732.db2.gz PGJJGBDADVLMJT-UHFFFAOYSA-N 1 0 387.265 2.227 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000763059259 652734947 /nfs/dbraw/zinc/73/49/47/652734947.db2.gz AFKJPWKQSIKOSQ-OWCLPIDISA-N 1 0 375.604 2.366 20 0 GEADRO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000595828575 652737388 /nfs/dbraw/zinc/73/73/88/652737388.db2.gz XYHCDUBWPZMGFI-OAHLLOKOSA-N 1 0 376.563 2.348 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864258 652739933 /nfs/dbraw/zinc/73/99/33/652739933.db2.gz RNHBVFSRLDWWBC-IAGOWNOFSA-N 1 0 397.313 2.194 20 0 GEADRO COC1CC[NH+](CCNC(=O)NCc2ccsc2Br)CC1 ZINC000670165191 652741750 /nfs/dbraw/zinc/74/17/50/652741750.db2.gz AGDZZLNDTAYVCT-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO COC(=O)[C@@H](c1ccccc1Br)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000595895041 652741781 /nfs/dbraw/zinc/74/17/81/652741781.db2.gz BNIUKLMZSRZQHM-ZACQAIPSSA-N 1 0 397.313 2.491 20 0 GEADRO COC(=O)[C@@H](c1ccccc1Br)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000595895026 652741885 /nfs/dbraw/zinc/74/18/85/652741885.db2.gz BDGQJXYAJPUFIT-CZUORRHYSA-N 1 0 397.313 2.351 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000595895024 652741925 /nfs/dbraw/zinc/74/19/25/652741925.db2.gz BDGQJXYAJPUFIT-BBRMVZONSA-N 1 0 397.313 2.351 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N(C)CC(C)(C)[NH3+] ZINC000595901356 652742398 /nfs/dbraw/zinc/74/23/98/652742398.db2.gz FQQQWBSSTYFAJS-JTQLQIEISA-N 1 0 375.254 2.287 20 0 GEADRO COCC[NH2+]C1CCN([C@@H](C(=O)OC)c2ccccc2Br)CC1 ZINC000595896366 652742484 /nfs/dbraw/zinc/74/24/84/652742484.db2.gz LRIJLGZXNHSFEN-MRXNPFEDSA-N 1 0 385.302 2.364 20 0 GEADRO CC1(C)CC[NH2+][C@@H]1C(=O)NCCOc1ccc(I)cc1 ZINC000595955158 652743543 /nfs/dbraw/zinc/74/35/43/652743543.db2.gz FHNOTQUWTLCTJB-CYBMUJFWSA-N 1 0 388.249 2.174 20 0 GEADRO C[C@H](CCNC(=O)c1sc2c(c1I)CNC2)[NH+](C)C ZINC000595959409 652743647 /nfs/dbraw/zinc/74/36/47/652743647.db2.gz DMNGYUWFTGTCOC-MRVPVSSYSA-N 1 0 393.294 2.026 20 0 GEADRO CS[C@H]1CN(C(=O)CCN2C(=S)N=NC2c2cccs2)C[C@@H]1[NH+](C)C ZINC000763236195 652746578 /nfs/dbraw/zinc/74/65/78/652746578.db2.gz AYISUPOQLGJQGH-AAEUAGOBSA-N 1 0 397.595 2.189 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000595993741 652746577 /nfs/dbraw/zinc/74/65/77/652746577.db2.gz WSFNEMNVLUGJOY-VIFPVBQESA-N 1 0 379.638 2.330 20 0 GEADRO Cn1cc(NC(=O)C[N@H+](C)CCc2ccccc2)cc(Br)c1=O ZINC000635667966 652747022 /nfs/dbraw/zinc/74/70/22/652747022.db2.gz ILLGYMJWQKDQBD-UHFFFAOYSA-N 1 0 378.270 2.261 20 0 GEADRO Cc1nn(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1Br ZINC000763331391 652751890 /nfs/dbraw/zinc/75/18/90/652751890.db2.gz DGLLKYVUXZDYOL-CZUORRHYSA-N 1 0 384.366 2.178 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000670572131 652752216 /nfs/dbraw/zinc/75/22/16/652752216.db2.gz NQXRTIABWYPEDS-WQVCFCJDSA-N 1 0 394.313 2.369 20 0 GEADRO NC(=O)[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(Br)c1 ZINC000763385298 652755167 /nfs/dbraw/zinc/75/51/67/652755167.db2.gz XUMLGBYSKJEBNO-GJZGRUSLSA-N 1 0 383.286 2.293 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000635864365 652761040 /nfs/dbraw/zinc/76/10/40/652761040.db2.gz DMHKYLLASDUPPE-SWLSCSKDSA-N 1 0 380.286 2.012 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636007788 652773838 /nfs/dbraw/zinc/77/38/38/652773838.db2.gz PJCMFZPGFQXJPH-KBPBESRZSA-N 1 0 399.329 2.067 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccsc1 ZINC000671149420 652780836 /nfs/dbraw/zinc/78/08/36/652780836.db2.gz LGYNTVXFUKFBHC-AWEZNQCLSA-N 1 0 381.567 2.403 20 0 GEADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000636098437 652780880 /nfs/dbraw/zinc/78/08/80/652780880.db2.gz RRBBJUDTRJTLBI-PHIMTYICSA-N 1 0 394.269 2.137 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000671168593 652783203 /nfs/dbraw/zinc/78/32/03/652783203.db2.gz LLAKIOKCKLZDIO-HNNXBMFYSA-N 1 0 396.329 2.053 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000636255450 652791136 /nfs/dbraw/zinc/79/11/36/652791136.db2.gz IBINBRPUGCZMBG-UGSOOPFHSA-N 1 0 381.314 2.127 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000671302448 652791529 /nfs/dbraw/zinc/79/15/29/652791529.db2.gz XQOBBQOTRNXQFK-OAHLLOKOSA-N 1 0 388.331 2.309 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCCNC(=O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000636477539 652804957 /nfs/dbraw/zinc/80/49/57/652804957.db2.gz VZHGVLFDVUFGQO-HNNXBMFYSA-N 1 0 387.311 2.422 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000636540161 652807565 /nfs/dbraw/zinc/80/75/65/652807565.db2.gz MFHFYVDTGRTZJE-NSHDSACASA-N 1 0 377.432 2.374 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cscc2Br)CC1 ZINC000671686163 652807942 /nfs/dbraw/zinc/80/79/42/652807942.db2.gz YQTVCAOABOLNBK-CYBMUJFWSA-N 1 0 386.315 2.065 20 0 GEADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000636586410 652809780 /nfs/dbraw/zinc/80/97/80/652809780.db2.gz VDCBFVOFTBUDAI-RYUDHWBXSA-N 1 0 375.416 2.126 20 0 GEADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br)C1CC1 ZINC000671771544 652812369 /nfs/dbraw/zinc/81/23/69/652812369.db2.gz CDRUVESSYXCBIA-AWEZNQCLSA-N 1 0 391.331 2.050 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000671813645 652814301 /nfs/dbraw/zinc/81/43/01/652814301.db2.gz SLHSGVYNWWGXBT-GFCCVEGCSA-N 1 0 386.323 2.499 20 0 GEADRO C[C@@H]1[C@H](C(=O)Nc2nc3cc(I)ccc3[nH]2)CC[N@@H+]1C ZINC000598429604 652814320 /nfs/dbraw/zinc/81/43/20/652814320.db2.gz ZOTYBCKFWLEHKQ-PSASIEDQSA-N 1 0 384.221 2.446 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)Nc2nc3cc(I)ccc3[nH]2)C1 ZINC000598429346 652814540 /nfs/dbraw/zinc/81/45/40/652814540.db2.gz YDWPBUKCFWMGDI-SECBINFHSA-N 1 0 384.221 2.448 20 0 GEADRO Cn1ncc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1Br ZINC000764976285 652817553 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BCKQXKCUYICYPV-UHFFFAOYSA-N 1 0 381.523 2.130 20 0 GEADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638242051 652884301 /nfs/dbraw/zinc/88/43/01/652884301.db2.gz VUVPDFKEGHDGEX-YQVWRLOYSA-N 1 0 392.341 2.233 20 0 GEADRO CC1(C)CN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000638270856 652884745 /nfs/dbraw/zinc/88/47/45/652884745.db2.gz NJAIZDMBQOUOKI-OAHLLOKOSA-N 1 0 394.313 2.151 20 0 GEADRO COc1nsc(CNC[C@@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000638277503 652884779 /nfs/dbraw/zinc/88/47/79/652884779.db2.gz BIEULQUARJSCLA-LLVKDONJSA-N 1 0 378.336 2.361 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)C3=CC[C@@H]([NH3+])C3)C2=O)ccc1Br ZINC000638301437 652885214 /nfs/dbraw/zinc/88/52/14/652885214.db2.gz UKCJZEJBGYJNLI-IUODEOHRSA-N 1 0 378.270 2.027 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)C[C@H]1[NH+](C)C ZINC000599719533 652885331 /nfs/dbraw/zinc/88/53/31/652885331.db2.gz AFBCYWAXRBLPEA-IJLUTSLNSA-N 1 0 376.448 2.283 20 0 GEADRO CC[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)N1CCc2ccccc2C1 ZINC000638335104 652885935 /nfs/dbraw/zinc/88/59/35/652885935.db2.gz GJTNQMULXDXMPX-MRXNPFEDSA-N 1 0 379.551 2.322 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638381232 652887684 /nfs/dbraw/zinc/88/76/84/652887684.db2.gz IUVINKVKQBGIKF-OAHLLOKOSA-N 1 0 380.286 2.460 20 0 GEADRO Cc1c(C[NH3+])c(NC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)nn1C ZINC000638398764 652888067 /nfs/dbraw/zinc/88/80/67/652888067.db2.gz DTNLKWWOFPUQLT-RHSMWYFYSA-N 1 0 377.286 2.866 20 0 GEADRO CCO[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)C[C@H]1C[NH3+] ZINC000638391514 652888200 /nfs/dbraw/zinc/88/82/00/652888200.db2.gz TZXYUUMCYMRUDA-OFGYBXGMSA-N 1 0 379.298 2.157 20 0 GEADRO C[C@]1(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C[NH2+]CCO1 ZINC000638407666 652888709 /nfs/dbraw/zinc/88/87/09/652888709.db2.gz HVKYVYCLJJMIEV-QGZVFWFLSA-N 1 0 378.270 2.194 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638426175 652889105 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/nfs/dbraw/zinc/89/47/45/652894745.db2.gz OTRVDFPXRBWJME-GDZNZVCISA-N 1 0 398.301 2.001 20 0 GEADRO COC1CC[NH+](CCNC(=O)NCc2cc(F)ccc2Br)CC1 ZINC000674328352 652895008 /nfs/dbraw/zinc/89/50/08/652895008.db2.gz KPOAMLQNBAMUMP-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO COC1CC[NH+](CCNC(=O)NCc2cc(Br)cs2)CC1 ZINC000674328842 652895026 /nfs/dbraw/zinc/89/50/26/652895026.db2.gz RGSLSZNURQVCBJ-UHFFFAOYSA-N 1 0 376.320 2.421 20 0 GEADRO CO[C@H](C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCC1 ZINC000638563800 652895270 /nfs/dbraw/zinc/89/52/70/652895270.db2.gz QLAVRRPHLNJDIY-MRXNPFEDSA-N 1 0 388.555 2.064 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000638590276 652896444 /nfs/dbraw/zinc/89/64/44/652896444.db2.gz SYCITUVNRPTEQZ-UHFFFAOYSA-N 1 0 399.329 2.192 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638595050 652896810 /nfs/dbraw/zinc/89/68/10/652896810.db2.gz FRGCSEPSRKFFKE-GLQYFDAESA-N 1 0 380.286 2.188 20 0 GEADRO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)o1 ZINC000638595822 652897083 /nfs/dbraw/zinc/89/70/83/652897083.db2.gz KFTFYILXAACHAC-CYBMUJFWSA-N 1 0 378.226 2.036 20 0 GEADRO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]1 ZINC000638596841 652897680 /nfs/dbraw/zinc/89/76/80/652897680.db2.gz UXCDZRDZDCGGCZ-HUBLWGQQSA-N 1 0 380.286 2.059 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000638596612 652897704 /nfs/dbraw/zinc/89/77/04/652897704.db2.gz RNLXOCKPRZFUPJ-KYOSRNDESA-N 1 0 380.286 2.188 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1F)C1(n2cccn2)CC[NH2+]CC1 ZINC000638598945 652898091 /nfs/dbraw/zinc/89/80/91/652898091.db2.gz DQMIQAJELBOIKS-UHFFFAOYSA-N 1 0 399.239 2.319 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000638601289 652898715 /nfs/dbraw/zinc/89/87/15/652898715.db2.gz DAKRDRBYEUVRDH-MRXNPFEDSA-N 1 0 396.329 2.162 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)c1ccc(COc2cccc(Br)c2)o1 ZINC000638621489 652899417 /nfs/dbraw/zinc/89/94/17/652899417.db2.gz PVGSQBSGYFYOLF-ZDUSSCGKSA-N 1 0 395.253 2.339 20 0 GEADRO [NH3+]CC1(NC(=O)COc2ccc(Br)cc2Cl)CCOCC1 ZINC000638636110 652899913 /nfs/dbraw/zinc/89/99/13/652899913.db2.gz OJGXIUHBDVCCMK-UHFFFAOYSA-N 1 0 377.666 2.105 20 0 GEADRO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CCN1CCCS1(=O)=O ZINC000674496351 652901219 /nfs/dbraw/zinc/90/12/19/652901219.db2.gz VLDJBWPFAQVZAN-UHFFFAOYSA-N 1 0 394.324 2.289 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638654475 652901431 /nfs/dbraw/zinc/90/14/31/652901431.db2.gz LCXKRGMIVVEGIF-DVOMOZLQSA-N 1 0 396.329 2.460 20 0 GEADRO O=C(Cc1cccc(I)c1)N1CCN(CCCF)CC1 ZINC000600076549 652901912 /nfs/dbraw/zinc/90/19/12/652901912.db2.gz PEHGDTOGQFCBHL-UHFFFAOYSA-N 1 0 390.240 2.338 20 0 GEADRO CN(CCOCC[NH3+])C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000638677716 652902161 /nfs/dbraw/zinc/90/21/61/652902161.db2.gz IIIDUHYZHWYRDH-HNNXBMFYSA-N 1 0 388.295 2.032 20 0 GEADRO CN(CCOCC[NH3+])C(=O)c1scc(Br)c1Br ZINC000638671051 652902170 /nfs/dbraw/zinc/90/21/70/652902170.db2.gz UCKMKFDZDFOINR-UHFFFAOYSA-N 1 0 386.109 2.320 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000674583526 652905281 /nfs/dbraw/zinc/90/52/81/652905281.db2.gz UNSJJRZJCZMWAI-LLVKDONJSA-N 1 0 384.249 2.127 20 0 GEADRO CN(Cc1ccc(Br)cc1F)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000638829789 652907935 /nfs/dbraw/zinc/90/79/35/652907935.db2.gz ZMCFELSUOVQOEA-CYBMUJFWSA-N 1 0 396.264 2.204 20 0 GEADRO COC[C@]1(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CCCC[NH2+]1 ZINC000638832221 652908456 /nfs/dbraw/zinc/90/84/56/652908456.db2.gz PTHKXLOQDVPBHQ-ZDRJDWQYSA-N 1 0 379.298 2.362 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000638833229 652908482 /nfs/dbraw/zinc/90/84/82/652908482.db2.gz XBJGEYVJHFRAHZ-GZEBKTBXSA-N 1 0 389.293 2.018 20 0 GEADRO O=C(COc1ccc(Br)cn1)NCc1cccc2c1CC[NH2+]C2 ZINC000638848072 652909523 /nfs/dbraw/zinc/90/95/23/652909523.db2.gz YMBWZQBHFJUOLF-UHFFFAOYSA-N 1 0 376.254 2.185 20 0 GEADRO C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@H]1C[NH3+] ZINC000638920265 652913301 /nfs/dbraw/zinc/91/33/01/652913301.db2.gz YQZUTMMBXHDEQV-GHMZBOCLSA-N 1 0 381.249 2.441 20 0 GEADRO [NH3+]C1CCC(OCC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000638943073 652914370 /nfs/dbraw/zinc/91/43/70/652914370.db2.gz NLTRKBKVUVMVEL-XZNMGCDBSA-N 1 0 379.298 2.490 20 0 GEADRO CC(C)Oc1cc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)ccc1Br ZINC000638972402 652915064 /nfs/dbraw/zinc/91/50/64/652915064.db2.gz HCLNEXSSTYNGGY-CQSZACIVSA-N 1 0 398.301 2.433 20 0 GEADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1n[nH]c(C2CC2)c1Br ZINC000638987427 652915490 /nfs/dbraw/zinc/91/54/90/652915490.db2.gz IQDVSLVJYOKUJS-UHFFFAOYSA-N 1 0 391.273 2.107 20 0 GEADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000638989788 652915651 /nfs/dbraw/zinc/91/56/51/652915651.db2.gz XXWWYUDAWRLJPI-ZDUSSCGKSA-N 1 0 377.794 2.233 20 0 GEADRO Cc1ccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1Br ZINC000639035248 652916580 /nfs/dbraw/zinc/91/65/80/652916580.db2.gz AMROTLPHAHFYHP-CYBMUJFWSA-N 1 0 378.274 2.031 20 0 GEADRO Cc1ccc(CNC(=O)c2cnnn2C2CC[NH2+]CC2)cc1Br ZINC000639035627 652916613 /nfs/dbraw/zinc/91/66/13/652916613.db2.gz FSUQIUZCGAWDLK-UHFFFAOYSA-N 1 0 378.274 2.204 20 0 GEADRO CC(=O)NC1CCC([N@H+](C)Cc2cnn3cc(Br)cnc23)CC1 ZINC000639039022 652916966 /nfs/dbraw/zinc/91/69/66/652916966.db2.gz YCOOMKRXXMKJBN-UHFFFAOYSA-N 1 0 380.290 2.371 20 0 GEADRO Cc1ccc(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1Br ZINC000639036760 652917041 /nfs/dbraw/zinc/91/70/41/652917041.db2.gz WFPQEJLXHMPCSE-UHFFFAOYSA-N 1 0 377.286 2.349 20 0 GEADRO CN1CC[C@](O)(C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC000639049072 652917445 /nfs/dbraw/zinc/91/74/45/652917445.db2.gz HKPROKZDYHYGBH-BZSNNMDCSA-N 1 0 382.346 2.241 20 0 GEADRO CO[C@@H](C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000639110570 652919564 /nfs/dbraw/zinc/91/95/64/652919564.db2.gz PKZCTULAMGMXBH-JSGCOSHPSA-N 1 0 381.416 2.250 20 0 GEADRO CO[C@@H](C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C1CCOCC1 ZINC000639132370 652921337 /nfs/dbraw/zinc/92/13/37/652921337.db2.gz NBHUEPXEMQVAEO-INIZCTEOSA-N 1 0 390.933 2.040 20 0 GEADRO C[C@@](CO)([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000639159712 652924379 /nfs/dbraw/zinc/92/43/79/652924379.db2.gz IFRSIRMDBITVMX-INIZCTEOSA-N 1 0 399.310 2.094 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]CCC[C@H]2CCO2)c1 ZINC000639165927 652925065 /nfs/dbraw/zinc/92/50/65/652925065.db2.gz BSVITPPTGANIDN-ZDUSSCGKSA-N 1 0 391.331 2.195 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@]1(OC)CCOC1 ZINC000639237636 652927345 /nfs/dbraw/zinc/92/73/45/652927345.db2.gz KNKRAFKSFNFJDH-CXAGYDPISA-N 1 0 388.302 2.004 20 0 GEADRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)CCO1 ZINC000639248430 652927907 /nfs/dbraw/zinc/92/79/07/652927907.db2.gz YOXXLJABTXDWLN-UKRRQHHQSA-N 1 0 391.273 2.235 20 0 GEADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639317725 652932386 /nfs/dbraw/zinc/93/23/86/652932386.db2.gz SSAFSTWUIYRKFW-MRXNPFEDSA-N 1 0 379.551 2.144 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000639357784 652933678 /nfs/dbraw/zinc/93/36/78/652933678.db2.gz YJYXIVBHDFVMBL-GFCCVEGCSA-N 1 0 376.906 2.118 20 0 GEADRO C[N@H+](C[C@H](O)CC1(O)CCOCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000639459306 652937864 /nfs/dbraw/zinc/93/78/64/652937864.db2.gz IJSDQUDAWJYXJM-OAUYIBNBSA-N 1 0 390.307 2.176 20 0 GEADRO O=C1NCCN1[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639491947 652938427 /nfs/dbraw/zinc/93/84/27/652938427.db2.gz UUVGTAGIPQTBJV-GJZGRUSLSA-N 1 0 388.295 2.223 20 0 GEADRO CN(CCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)S(C)(=O)=O ZINC000675747133 652939527 /nfs/dbraw/zinc/93/95/27/652939527.db2.gz VOANXSJALFZRFT-UHFFFAOYSA-N 1 0 391.940 2.315 20 0 GEADRO COc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2)cnc1Cl ZINC000767664526 652940736 /nfs/dbraw/zinc/94/07/36/652940736.db2.gz KQMJVDYVLLFAIA-UHFFFAOYSA-N 1 0 383.901 2.496 20 0 GEADRO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CC1(O)CCOCC1 ZINC000639553074 652941306 /nfs/dbraw/zinc/94/13/06/652941306.db2.gz BZWQZBACKRCVNX-CQSZACIVSA-N 1 0 378.296 2.080 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000639596459 652943268 /nfs/dbraw/zinc/94/32/68/652943268.db2.gz UNSRNYFSLLOIPV-WWGRRREGSA-N 1 0 377.312 2.120 20 0 GEADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000600985074 652946953 /nfs/dbraw/zinc/94/69/53/652946953.db2.gz GPNNHUYFMRRZNS-INIZCTEOSA-N 1 0 394.313 2.218 20 0 GEADRO C[C@@](CO)([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000639665457 652947285 /nfs/dbraw/zinc/94/72/85/652947285.db2.gz LHGBCHJAJJZMSI-HOTGVXAUSA-N 1 0 378.296 2.083 20 0 GEADRO CCOC1CC(C[NH2+]Cc2c(Cl)nc(Cl)n2C)(N2CCOCC2)C1 ZINC000767737462 652947499 /nfs/dbraw/zinc/94/74/99/652947499.db2.gz ZMYSJWGWZCJPDW-UHFFFAOYSA-N 1 0 377.316 2.086 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000639766493 652952630 /nfs/dbraw/zinc/95/26/30/652952630.db2.gz PZZMYSVVUJKEBH-WMLDXEAASA-N 1 0 377.312 2.122 20 0 GEADRO O=C(C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1)Nc1ccc(Br)cn1 ZINC000639767864 652952739 /nfs/dbraw/zinc/95/27/39/652952739.db2.gz OUQGAAJDCIQCLR-BBRMVZONSA-N 1 0 398.301 2.082 20 0 GEADRO FC(F)(F)c1cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(I)c1 ZINC000601106009 652954494 /nfs/dbraw/zinc/95/44/94/652954494.db2.gz JYJVGKPDXBSAKM-OCAPTIKFSA-N 1 0 383.155 2.361 20 0 GEADRO Nc1nnc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(Br)cc3)C2)o1 ZINC000639822722 652957733 /nfs/dbraw/zinc/95/77/33/652957733.db2.gz WSTUFUNVENTWPY-NSHDSACASA-N 1 0 394.273 2.623 20 0 GEADRO Nc1nnc([C@H]2CCC[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)o1 ZINC000639824175 653085929 /nfs/dbraw/zinc/08/59/29/653085929.db2.gz GWCKLTBKUVKARL-QWRGUYRKSA-N 1 0 387.267 2.578 20 0 GEADRO [NH3+][C@H]1CCCCCN(CC(=O)Nc2ccccc2I)C1 ZINC000601324489 653086682 /nfs/dbraw/zinc/08/66/82/653086682.db2.gz OQQIJZWDAAQZED-LBPRGKRZSA-N 1 0 387.265 2.433 20 0 GEADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)Nc1ccncc1Br ZINC000639901572 653087898 /nfs/dbraw/zinc/08/78/98/653087898.db2.gz YCAGFIHLKIYQEV-ZDUSSCGKSA-N 1 0 397.317 2.373 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C(F)F)o3)C2)CC1 ZINC000601370788 653088952 /nfs/dbraw/zinc/08/89/52/653088952.db2.gz XFXJYNYBBXGXKG-CYBMUJFWSA-N 1 0 377.457 2.006 20 0 GEADRO C[C@]12C[N@H+](Cc3cc(Br)cc4cccnc43)C[C@@]1(C)C(=O)NC2=O ZINC000639954453 653089788 /nfs/dbraw/zinc/08/97/88/653089788.db2.gz SGMUMWKHLKSASF-HDICACEKSA-N 1 0 388.265 2.482 20 0 GEADRO COc1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ncc1Br ZINC000639967473 653091363 /nfs/dbraw/zinc/09/13/63/653091363.db2.gz NAWAYXWXHXMXQB-GFCCVEGCSA-N 1 0 399.289 2.039 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cnc(Cl)c(Br)c1 ZINC000767912720 653095261 /nfs/dbraw/zinc/09/52/61/653095261.db2.gz JDPTUGMYTMUQIB-GHMZBOCLSA-N 1 0 389.681 2.482 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N2CCc3sc(Br)cc3C2)CC1 ZINC000676457011 653096662 /nfs/dbraw/zinc/09/66/62/653096662.db2.gz QYSSACOXQNZKGS-UHFFFAOYSA-N 1 0 386.359 2.423 20 0 GEADRO CCC(CC)[C@H](CNC(=O)N(CCS(C)(=O)=O)C(C)C)[NH+]1CCCC1 ZINC000768028737 653099025 /nfs/dbraw/zinc/09/90/25/653099025.db2.gz RDNNDRGDBWYPAL-KRWDZBQOSA-N 1 0 375.579 2.352 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(N3CCOCC3)ccc2Br)C1 ZINC000640236684 653105838 /nfs/dbraw/zinc/10/58/38/653105838.db2.gz JHDVIFBXNITVMT-CYBMUJFWSA-N 1 0 397.317 2.359 20 0 GEADRO COc1ccc(I)c(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000601558831 653111304 /nfs/dbraw/zinc/11/13/04/653111304.db2.gz KSUZTESFIJBGME-IUCAKERBSA-N 1 0 375.210 2.253 20 0 GEADRO COC(=O)c1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)cc1F ZINC000601560046 653111348 /nfs/dbraw/zinc/11/13/48/653111348.db2.gz JVIMIUUFVAKDPV-DTORHVGOSA-N 1 0 386.221 2.343 20 0 GEADRO C[N@@H+]1CCCN(CCCNC(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000676883246 653112441 /nfs/dbraw/zinc/11/24/41/653112441.db2.gz HUSJQUOFCJHHKT-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO Cn1cc(Br)c(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000640309338 653114339 /nfs/dbraw/zinc/11/43/39/653114339.db2.gz YJHXWPRBYDTEHW-GFCCVEGCSA-N 1 0 382.262 2.734 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3CSCCS3)CC2)CC1 ZINC000771554229 653115585 /nfs/dbraw/zinc/11/55/85/653115585.db2.gz ARROUAVBALKAII-KRWDZBQOSA-N 1 0 386.631 2.035 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc2c(cncc2Br)s1 ZINC000640320392 653120270 /nfs/dbraw/zinc/12/02/70/653120270.db2.gz QIHDHORRQKQDSW-SNVBAGLBSA-N 1 0 384.299 2.245 20 0 GEADRO CC1CCC([NH+]2CCN(C(=O)Nc3nn(C)cc3Br)CC2)CC1 ZINC000640327820 653120983 /nfs/dbraw/zinc/12/09/83/653120983.db2.gz UANPZSAKXPAYNA-UHFFFAOYSA-N 1 0 384.322 2.911 20 0 GEADRO O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000640383867 653123431 /nfs/dbraw/zinc/12/34/31/653123431.db2.gz QZOYRGVLUFZHBW-HTQZYQBOSA-N 1 0 385.362 2.941 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640387706 653125097 /nfs/dbraw/zinc/12/50/97/653125097.db2.gz XCUZAUMCULKYDT-ZETCQYMHSA-N 1 0 375.367 3.042 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)C1 ZINC000805637522 653126015 /nfs/dbraw/zinc/12/60/15/653126015.db2.gz SNNVTTYXJSISFY-QWHCGFSZSA-N 1 0 378.344 2.313 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000768843247 653130892 /nfs/dbraw/zinc/13/08/92/653130892.db2.gz UIVDBIVCZWTVQU-UHFFFAOYSA-N 1 0 377.539 2.382 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c(Br)c1 ZINC000678924840 653134144 /nfs/dbraw/zinc/13/41/44/653134144.db2.gz ISCWLPBMGJQLSN-NSHDSACASA-N 1 0 392.315 2.048 20 0 GEADRO CC1CCN(C(=O)Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)CC1 ZINC000640776655 653138147 /nfs/dbraw/zinc/13/81/47/653138147.db2.gz KSWBWTICYCSHPD-QGZVFWFLSA-N 1 0 392.301 2.347 20 0 GEADRO CC[NH+](CC)CCOC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000772066055 653138909 /nfs/dbraw/zinc/13/89/09/653138909.db2.gz UTQXAPCGPMNWMN-UHFFFAOYSA-N 1 0 378.288 2.351 20 0 GEADRO C[C@@H]1CCCCN1C(=O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640795013 653139085 /nfs/dbraw/zinc/13/90/85/653139085.db2.gz ZMDDNQSUOSAKHI-PXAZEXFGSA-N 1 0 392.301 2.490 20 0 GEADRO CC(C)[C@@H](C)NC(=O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640798253 653139652 /nfs/dbraw/zinc/13/96/52/653139652.db2.gz PPNRSCYQGPBPPH-BZNIZROVSA-N 1 0 380.290 2.249 20 0 GEADRO Cc1cc(Br)cc(C[NH2+]CCc2nnnn2C)c1OC(F)F ZINC000679206996 653140759 /nfs/dbraw/zinc/14/07/59/653140759.db2.gz UPVZRQYBLYMTLK-UHFFFAOYSA-N 1 0 376.205 2.215 20 0 GEADRO COCC[C@@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640880718 653143495 /nfs/dbraw/zinc/14/34/95/653143495.db2.gz LWVMMPQXMDYGOI-DGCLKSJQSA-N 1 0 396.289 2.147 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C(=O)c2c[nH]c3cccc(Br)c32)CC1 ZINC000679316953 653143626 /nfs/dbraw/zinc/14/36/26/653143626.db2.gz FDCMJPMXQHBLMX-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO CS(=O)(=O)NCCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679330486 653143938 /nfs/dbraw/zinc/14/39/38/653143938.db2.gz KPUWWGKZWKBIPI-LSDHHAIUSA-N 1 0 391.331 2.198 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000640882268 653144154 /nfs/dbraw/zinc/14/41/54/653144154.db2.gz VXLXWAHJYYMWRK-VXGBXAGGSA-N 1 0 378.274 2.392 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000640900753 653145749 /nfs/dbraw/zinc/14/57/49/653145749.db2.gz BTSAHTWMGYABPX-VXGBXAGGSA-N 1 0 378.274 2.392 20 0 GEADRO CC[NH2+]Cc1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640925081 653146270 /nfs/dbraw/zinc/14/62/70/653146270.db2.gz HAOHOZJFLLXDNF-LBPRGKRZSA-N 1 0 380.290 2.370 20 0 GEADRO COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H](C)[NH+](C)C ZINC000602108611 653148061 /nfs/dbraw/zinc/14/80/61/653148061.db2.gz QSDALQSGNBBJBJ-MEBBXXQBSA-N 1 0 396.285 2.081 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccccc2I)CC1 ZINC000769326981 653148882 /nfs/dbraw/zinc/14/88/82/653148882.db2.gz JDKJEHUXWVEJJR-JKSUJKDBSA-N 1 0 386.277 2.322 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602133117 653149740 /nfs/dbraw/zinc/14/97/40/653149740.db2.gz NSWQBAXAKNSJKP-MLGOLLRUSA-N 1 0 383.286 2.463 20 0 GEADRO Clc1cc(Br)ccc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641013683 653150571 /nfs/dbraw/zinc/15/05/71/653150571.db2.gz IZBKYDISFFZVPB-UHFFFAOYSA-N 1 0 384.709 2.190 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641033091 653151630 /nfs/dbraw/zinc/15/16/30/653151630.db2.gz KTBDMECCCDKSGE-LBPRGKRZSA-N 1 0 385.306 2.443 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641033090 653151738 /nfs/dbraw/zinc/15/17/38/653151738.db2.gz KTBDMECCCDKSGE-GFCCVEGCSA-N 1 0 385.306 2.443 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccccc1Br)N[C@@H]1CCC[NH2+]CC1 ZINC000641041390 653152222 /nfs/dbraw/zinc/15/22/22/653152222.db2.gz BSCWMKPNELAUFM-UKRRQHHQSA-N 1 0 384.318 2.041 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1)C(F)(F)F ZINC000806138823 653154047 /nfs/dbraw/zinc/15/40/47/653154047.db2.gz CITHRVFLCKXFIQ-GHMZBOCLSA-N 1 0 398.369 2.248 20 0 GEADRO COC[C@H]([NH3+])Cc1cn(Cc2ncc(-c3ccccc3Br)o2)nn1 ZINC000641064365 653154017 /nfs/dbraw/zinc/15/40/17/653154017.db2.gz PWIPNJQVYWCBOH-LLVKDONJSA-N 1 0 392.257 2.260 20 0 GEADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000806182818 653154672 /nfs/dbraw/zinc/15/46/72/653154672.db2.gz DAIREWFJGMXRGK-SVGFKBNWSA-N 1 0 384.592 2.419 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641072584 653154827 /nfs/dbraw/zinc/15/48/27/653154827.db2.gz KQUVHXUZVZUZJI-HOCLYGCPSA-N 1 0 398.345 2.350 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000769420061 653154923 /nfs/dbraw/zinc/15/49/23/653154923.db2.gz OGYHRRMHSUZJHD-SMDDNHRTSA-N 1 0 388.946 2.496 20 0 GEADRO CS[C@H]1CN(c2ncnc3c2c(Br)nn3C)C[C@H]1[NH+]1CCCC1 ZINC000772581668 653155081 /nfs/dbraw/zinc/15/50/81/653155081.db2.gz XVSQBYFBGYVRSO-MNOVXSKESA-N 1 0 397.346 2.142 20 0 GEADRO C[NH2+]C(C)(C)c1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641104635 653156788 /nfs/dbraw/zinc/15/67/88/653156788.db2.gz JOZXDUGVRBEFEI-CYBMUJFWSA-N 1 0 378.274 2.473 20 0 GEADRO COC[C@H]([NH3+])Cc1cn([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nn1 ZINC000641107610 653157357 /nfs/dbraw/zinc/15/73/57/653157357.db2.gz HZSQDGRBOYZFMR-MEBBXXQBSA-N 1 0 384.267 2.079 20 0 GEADRO [NH3+][C@H](c1cn(CCOC2CCOCC2)nn1)c1ccc(Br)cc1 ZINC000641126010 653159642 /nfs/dbraw/zinc/15/96/42/653159642.db2.gz VJYHKKCVIIFVOD-INIZCTEOSA-N 1 0 381.274 2.284 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000602235964 653160028 /nfs/dbraw/zinc/16/00/28/653160028.db2.gz MXCZIEBUKIVLKM-ITNZAGEZSA-N 1 0 385.599 2.043 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000806360915 653160579 /nfs/dbraw/zinc/16/05/79/653160579.db2.gz GYPJEUJZKCTIIM-XJKSGUPXSA-N 1 0 377.360 2.238 20 0 GEADRO CN(CCC[NH3+])Cc1cn(Cc2nc3cc(Br)ccc3o2)nn1 ZINC000641131221 653161308 /nfs/dbraw/zinc/16/13/08/653161308.db2.gz WDTSNCOVBVXBII-UHFFFAOYSA-N 1 0 379.262 2.011 20 0 GEADRO O=C(NCc1cn(CCc2cccc(Cl)c2Cl)nn1)C1CC[NH2+]CC1 ZINC000641139298 653161727 /nfs/dbraw/zinc/16/17/27/653161727.db2.gz XNHURPCCAAXOOZ-UHFFFAOYSA-N 1 0 382.295 2.443 20 0 GEADRO CC(C)(C)n1cc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)nn1 ZINC000641152632 653162997 /nfs/dbraw/zinc/16/29/97/653162997.db2.gz VSWRXDFAHZMWMZ-OAHLLOKOSA-N 1 0 390.289 2.484 20 0 GEADRO Cn1cc(I)c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000602264198 653163178 /nfs/dbraw/zinc/16/31/78/653163178.db2.gz QLWDJYLQLGMSNF-NSHDSACASA-N 1 0 392.285 2.121 20 0 GEADRO CC(C)(C)n1ncnc1Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641166806 653164717 /nfs/dbraw/zinc/16/47/17/653164717.db2.gz ZZAJODNCPLDABM-HNNXBMFYSA-N 1 0 390.289 2.484 20 0 GEADRO O=C(Cn1cc(C[NH2+]C2CC2)nn1)c1c[nH]c2ncc(Br)cc12 ZINC000641168596 653164810 /nfs/dbraw/zinc/16/48/10/653164810.db2.gz JWDADHDDKKVINO-UHFFFAOYSA-N 1 0 375.230 2.052 20 0 GEADRO CN(CCC[NH3+])Cc1cn(CCOc2cc(F)cc(Br)c2)nn1 ZINC000641176724 653166723 /nfs/dbraw/zinc/16/67/23/653166723.db2.gz PWVUYPYFNUKGMP-UHFFFAOYSA-N 1 0 386.269 2.039 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H](O)COc2ccc(Cl)cc2Cl)nn1)[C@H]1CCCO1 ZINC000641196017 653168538 /nfs/dbraw/zinc/16/85/38/653168538.db2.gz MVBPOKXVKFTRTL-IUIKQTSFSA-N 1 0 387.267 2.204 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N[C@@H](C)C[NH+](C)C)c1 ZINC000806590575 653169277 /nfs/dbraw/zinc/16/92/77/653169277.db2.gz GNGNMJFJDBRBIC-AWEZNQCLSA-N 1 0 386.587 2.262 20 0 GEADRO Cn1cc(Br)cc1C(=O)N[C@@H]1CC[C@H]([NH+]2CCN(C)CC2)CC1 ZINC000680842162 653170727 /nfs/dbraw/zinc/17/07/27/653170727.db2.gz XCVKTBQNISQFND-GASCZTMLSA-N 1 0 383.334 2.076 20 0 GEADRO CC[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1F ZINC000680856920 653171439 /nfs/dbraw/zinc/17/14/39/653171439.db2.gz KDMPTOMXABUELM-HNNXBMFYSA-N 1 0 377.913 2.097 20 0 GEADRO COc1cc(CS(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000641250500 653172339 /nfs/dbraw/zinc/17/23/39/653172339.db2.gz VACUJTMDRCKANS-UHFFFAOYSA-N 1 0 381.523 2.236 20 0 GEADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000806663364 653172530 /nfs/dbraw/zinc/17/25/30/653172530.db2.gz PRJBWEVDDJXICK-GWCFXTLKSA-N 1 0 380.482 2.201 20 0 GEADRO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000602347808 653173106 /nfs/dbraw/zinc/17/31/06/653173106.db2.gz ONAWRRNLPBLQGK-MORSLUCNSA-N 1 0 389.323 2.264 20 0 GEADRO C[C@H](NC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000602439807 653181219 /nfs/dbraw/zinc/18/12/19/653181219.db2.gz LBFOFBLVNACMRD-FTJNGKRUSA-N 1 0 378.416 2.263 20 0 GEADRO C[S@](=O)C1(C(=O)NCc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000602447386 653181553 /nfs/dbraw/zinc/18/15/53/653181553.db2.gz DUXKSNWPZOTXAQ-NRFANRHFSA-N 1 0 393.734 2.219 20 0 GEADRO COc1ccccc1SC[C@H](C)CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602454267 653182351 /nfs/dbraw/zinc/18/23/51/653182351.db2.gz QUBRMMSRMKLYLL-PWECECGKSA-N 1 0 384.567 2.040 20 0 GEADRO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602464313 653183525 /nfs/dbraw/zinc/18/35/25/653183525.db2.gz FALJMTSCRINYFF-VWLOTQADSA-N 1 0 378.416 2.044 20 0 GEADRO COC(=O)CC[N@@H+](Cc1cnn2cc(Br)cnc12)C[C@H]1CCCO1 ZINC000602476688 653185096 /nfs/dbraw/zinc/18/50/96/653185096.db2.gz ZFLVEOJEMCBADA-CQSZACIVSA-N 1 0 397.273 2.036 20 0 GEADRO COC[C@@]1(C(=O)Nc2ccc(I)c(C)n2)CCCC[NH2+]1 ZINC000602492696 653186115 /nfs/dbraw/zinc/18/61/15/653186115.db2.gz WJKMBWAKVYUVDI-CQSZACIVSA-N 1 0 389.237 2.092 20 0 GEADRO CN(Cc1ccc(F)cc1Br)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602506671 653186757 /nfs/dbraw/zinc/18/67/57/653186757.db2.gz KOBADASTNARMFK-JOCHJYFZSA-N 1 0 391.306 2.047 20 0 GEADRO COC(=O)[C@@H](NC(=O)c1oc(C[NH3+])cc1C)c1ccccc1Br ZINC000602530739 653188417 /nfs/dbraw/zinc/18/84/17/653188417.db2.gz WVKYZUDDBDITTQ-ZDUSSCGKSA-N 1 0 381.226 2.453 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(I)c(Cl)c1 ZINC000602545736 653190082 /nfs/dbraw/zinc/19/00/82/653190082.db2.gz ONIRLRVBKRDEFI-UHFFFAOYSA-N 1 0 396.656 2.253 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000807335003 653190471 /nfs/dbraw/zinc/19/04/71/653190471.db2.gz ZSUXFWDDVSZEAO-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO Cc1cc(C(=O)N(C)CCOCC[NH3+])c(I)cc1Cl ZINC000602552385 653190667 /nfs/dbraw/zinc/19/06/67/653190667.db2.gz VBZOIOHVENJSGI-UHFFFAOYSA-N 1 0 396.656 2.300 20 0 GEADRO C[S@@](=O)C1(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)CC[NH2+]CC1 ZINC000602570837 653191547 /nfs/dbraw/zinc/19/15/47/653191547.db2.gz UNXXIDZCCNTQIR-RUZDIDTESA-N 1 0 385.892 2.120 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000681800078 653192117 /nfs/dbraw/zinc/19/21/17/653192117.db2.gz HJCWGJGZRNTXQB-OAGGEKHMSA-N 1 0 381.929 2.454 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602588551 653192705 /nfs/dbraw/zinc/19/27/05/653192705.db2.gz BHYUUTTZMUVPGO-ZENOOKHLSA-N 1 0 381.929 2.154 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000602598430 653194008 /nfs/dbraw/zinc/19/40/08/653194008.db2.gz YSTZVBZOLZHQHG-VHSXEESVSA-N 1 0 378.523 2.067 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(I)s1 ZINC000602625843 653195838 /nfs/dbraw/zinc/19/58/38/653195838.db2.gz VXFXLKOAHAXYIR-RYUDHWBXSA-N 1 0 397.278 2.263 20 0 GEADRO Cc1ccc([C@@](O)(CC(=O)NC[C@@]2([NH+](C)C)CCSC2)C(F)(F)F)o1 ZINC000773421190 653198342 /nfs/dbraw/zinc/19/83/42/653198342.db2.gz NANVGKYGGJVJAU-GJZGRUSLSA-N 1 0 380.432 2.282 20 0 GEADRO COC(=O)c1csc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000602663868 653198953 /nfs/dbraw/zinc/19/89/53/653198953.db2.gz WLDKCHBQKIXVGJ-AWEZNQCLSA-N 1 0 380.491 2.088 20 0 GEADRO COC(=O)CN1CCC([NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000602726753 653203032 /nfs/dbraw/zinc/20/30/32/653203032.db2.gz BCDUFZOPDQFHAA-BMGDILEWSA-N 1 0 379.298 2.314 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602753825 653204450 /nfs/dbraw/zinc/20/44/50/653204450.db2.gz CTSRDYIPLFXPQC-NSHDSACASA-N 1 0 376.254 2.257 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682035185 653205388 /nfs/dbraw/zinc/20/53/88/653205388.db2.gz SIJRWRPHLKNQMF-UHFFFAOYSA-N 1 0 388.339 2.340 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682038849 653205877 /nfs/dbraw/zinc/20/58/77/653205877.db2.gz TWNUMUMOFPEHTG-UHFFFAOYSA-N 1 0 384.318 2.085 20 0 GEADRO C[C@@H]1CN(Cc2cn3cc(Br)ccc3n2)CC[N@@H+]1CC(C)(C)O ZINC000682043190 653206067 /nfs/dbraw/zinc/20/60/67/653206067.db2.gz HTGCVAUBZGLIGW-CYBMUJFWSA-N 1 0 381.318 2.374 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000770283736 653207796 /nfs/dbraw/zinc/20/77/96/653207796.db2.gz OHEZWZBHWVVVQX-UHFFFAOYSA-N 1 0 395.294 2.312 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCCC1CS(=O)(=O)C1 ZINC000682480393 653212528 /nfs/dbraw/zinc/21/25/28/653212528.db2.gz UNZGAUQNUYZYID-UHFFFAOYSA-N 1 0 387.571 2.036 20 0 GEADRO O=C(c1cccnc1I)N1CCN(c2cc[nH+]cc2)CC1 ZINC000770466943 653213759 /nfs/dbraw/zinc/21/37/59/653213759.db2.gz WIZCOGXQKYCXAB-UHFFFAOYSA-N 1 0 394.216 2.044 20 0 GEADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC1CS(=O)(=O)C1 ZINC000682501047 653216228 /nfs/dbraw/zinc/21/62/28/653216228.db2.gz LMLLKYDLXYRULZ-NSHDSACASA-N 1 0 378.416 2.447 20 0 GEADRO O=C(c1cccnc1I)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000770554344 653216618 /nfs/dbraw/zinc/21/66/18/653216618.db2.gz PSDYTIBMQGOTEQ-GFCCVEGCSA-N 1 0 385.249 2.244 20 0 GEADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000808079472 653217100 /nfs/dbraw/zinc/21/71/00/653217100.db2.gz GXOXMCFACNNDFR-HOTGVXAUSA-N 1 0 375.296 2.380 20 0 GEADRO COC(=O)C[C@]1([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCCOC1 ZINC000770696265 653221191 /nfs/dbraw/zinc/22/11/91/653221191.db2.gz FWWUNKXKTCOSDM-CXAGYDPISA-N 1 0 392.279 2.435 20 0 GEADRO CC[N@H+](CCC1CCN(C(=O)NCCS(=O)(=O)CC)CC1)CC(C)C ZINC000774036656 653221378 /nfs/dbraw/zinc/22/13/78/653221378.db2.gz DQVDQWXVPOVCEC-UHFFFAOYSA-N 1 0 375.579 2.211 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CN1c2cc(Br)ccc2C(=O)C1=O ZINC000808190483 653221942 /nfs/dbraw/zinc/22/19/42/653221942.db2.gz GDMLDEVPEYABIH-WFASDCNBSA-N 1 0 392.297 2.495 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000774061864 653222353 /nfs/dbraw/zinc/22/23/53/653222353.db2.gz HBVDXMWALQOVCK-UHFFFAOYSA-N 1 0 385.306 2.326 20 0 GEADRO Brc1ccc(C[NH2+]CCOC[C@H]2CCOC2)c(N2CCOCC2)c1 ZINC000682730779 653222595 /nfs/dbraw/zinc/22/25/95/653222595.db2.gz PDSDFOUCZSZKGQ-HNNXBMFYSA-N 1 0 399.329 2.428 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000808222413 653223014 /nfs/dbraw/zinc/22/30/14/653223014.db2.gz GHUAQUQSDHSLDP-LRDDRELGSA-N 1 0 386.279 2.059 20 0 GEADRO C[NH+]1CCN(c2cccc(Cl)c2CNCCS(=O)(=O)CC2CC2)CC1 ZINC000770738714 653223344 /nfs/dbraw/zinc/22/33/44/653223344.db2.gz XPIMAQPUAZMTII-UHFFFAOYSA-N 1 0 385.961 2.006 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCN(C)C(C)(C)C1 ZINC000641593357 653223518 /nfs/dbraw/zinc/22/35/18/653223518.db2.gz PRDJLMAXYAJMLD-UHFFFAOYSA-N 1 0 389.905 2.022 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000774099109 653224348 /nfs/dbraw/zinc/22/43/48/653224348.db2.gz GDLSVKQRZUGHMQ-NEPJUHHUSA-N 1 0 397.317 2.470 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000641625619 653224782 /nfs/dbraw/zinc/22/47/82/653224782.db2.gz WJAGNQDYLPXXHG-GXTWGEPZSA-N 1 0 382.452 2.186 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000774102123 653224781 /nfs/dbraw/zinc/22/47/81/653224781.db2.gz QNNVWQIMAGMVLL-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000682852035 653225462 /nfs/dbraw/zinc/22/54/62/653225462.db2.gz IORVXNFCBMXXPG-NSHDSACASA-N 1 0 376.320 2.109 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000774149020 653226579 /nfs/dbraw/zinc/22/65/79/653226579.db2.gz KNOPLZSYVIZJKR-CYBMUJFWSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000774163228 653227150 /nfs/dbraw/zinc/22/71/50/653227150.db2.gz DYOJFGKEJKKLNC-WCQYABFASA-N 1 0 397.317 2.328 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000774163227 653227208 /nfs/dbraw/zinc/22/72/08/653227208.db2.gz DYOJFGKEJKKLNC-DGCLKSJQSA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1 ZINC000683162363 653228967 /nfs/dbraw/zinc/22/89/67/653228967.db2.gz DUXYQSXRWYOCDS-UHFFFAOYSA-N 1 0 388.230 2.468 20 0 GEADRO CCOCC(C)(C)C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000808451050 653229814 /nfs/dbraw/zinc/22/98/14/653229814.db2.gz ZTPBFAYFSCJSAM-CYBMUJFWSA-N 1 0 377.938 2.357 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000774224702 653229784 /nfs/dbraw/zinc/22/97/84/653229784.db2.gz XTCVSAFBRKQALT-BETUJISGSA-N 1 0 397.317 2.470 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1sc(N2CCCC2)nc1Cl ZINC000771039759 653229844 /nfs/dbraw/zinc/22/98/44/653229844.db2.gz GUCQADCKTQNEEN-CYBMUJFWSA-N 1 0 384.933 2.380 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(c2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000683190999 653230479 /nfs/dbraw/zinc/23/04/79/653230479.db2.gz YWFPZHBXYJEPOL-JTQLQIEISA-N 1 0 394.310 2.156 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cnc(Br)cc2C)C1 ZINC000774281077 653232372 /nfs/dbraw/zinc/23/23/72/653232372.db2.gz BOEHRMQQTYPOKN-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1cncc(Br)c1 ZINC000641785824 653233984 /nfs/dbraw/zinc/23/39/84/653233984.db2.gz LKRFHTVEJKMFFQ-QAPCUYQASA-N 1 0 397.361 2.291 20 0 GEADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000808730865 653234080 /nfs/dbraw/zinc/23/40/80/653234080.db2.gz MSYYXLBQVUTCQT-INIZCTEOSA-N 1 0 375.531 2.167 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)C(C)C ZINC000808726102 653234122 /nfs/dbraw/zinc/23/41/22/653234122.db2.gz PMVXPODACDZWHP-GFCCVEGCSA-N 1 0 376.906 2.479 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(Nc3nc(C4CC4)ncc3Br)CC2)C1=O ZINC000631307351 653234397 /nfs/dbraw/zinc/23/43/97/653234397.db2.gz NWZWFLPEPZPFHU-AWEZNQCLSA-N 1 0 394.317 2.224 20 0 GEADRO [NH3+]C/C=C/CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000641867017 653235435 /nfs/dbraw/zinc/23/54/35/653235435.db2.gz LTXQRHAYIBLYBT-OWOJBTEDSA-N 1 0 377.798 2.100 20 0 GEADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCC(O)(C(N)=O)CC2)c1C ZINC000642262649 653241158 /nfs/dbraw/zinc/24/11/58/653241158.db2.gz YTDZKEKBCWOJCA-UHFFFAOYSA-N 1 0 378.270 2.431 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642327437 653242185 /nfs/dbraw/zinc/24/21/85/653242185.db2.gz AEMWMJYABQLGTI-CJNGLKHVSA-N 1 0 396.329 2.145 20 0 GEADRO CON(C)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000774675878 653247896 /nfs/dbraw/zinc/24/78/96/653247896.db2.gz RWFAFNQOTOVLMA-UHFFFAOYSA-N 1 0 384.274 2.119 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3ccc(Br)cn3)CC2)CC1 ZINC000874015002 653252043 /nfs/dbraw/zinc/25/20/43/653252043.db2.gz NQRNQVRJQPAKES-UHFFFAOYSA-N 1 0 395.301 2.117 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000874071757 653258144 /nfs/dbraw/zinc/25/81/44/653258144.db2.gz ZQPMRSIQFALOGK-UHFFFAOYSA-N 1 0 397.317 2.409 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)Cc2csc(C)n2)c1 ZINC000684106898 653260330 /nfs/dbraw/zinc/26/03/30/653260330.db2.gz XWEAGEBAYRIHFL-UHFFFAOYSA-N 1 0 383.539 2.354 20 0 GEADRO CS[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000874088495 653260620 /nfs/dbraw/zinc/26/06/20/653260620.db2.gz FNIQQNGGCLXXHK-SHTZXODSSA-N 1 0 379.551 2.184 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1Br ZINC000874094385 653262255 /nfs/dbraw/zinc/26/22/55/653262255.db2.gz CUIJJQUARDMGPM-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000684131492 653262712 /nfs/dbraw/zinc/26/27/12/653262712.db2.gz OBQUEBOXCLUEHL-GFCCVEGCSA-N 1 0 379.262 2.246 20 0 GEADRO C[C@H](CNC(=O)c1c(Br)nc2n1CCOC2)[N@@H+]1CCCC[C@H]1C ZINC000856960253 653263546 /nfs/dbraw/zinc/26/35/46/653263546.db2.gz NNPXKMZJDQPUSC-VXGBXAGGSA-N 1 0 385.306 2.169 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000856986307 653265927 /nfs/dbraw/zinc/26/59/27/653265927.db2.gz QSBAHBPHENWUSR-CYBMUJFWSA-N 1 0 394.273 2.456 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000857009379 653273240 /nfs/dbraw/zinc/27/32/40/653273240.db2.gz AOWVOYGOELEBSK-UHFFFAOYSA-N 1 0 399.333 2.370 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857027787 653277249 /nfs/dbraw/zinc/27/72/49/653277249.db2.gz ZDMTVVDBTNPHDO-JHJVBQTASA-N 1 0 399.333 2.272 20 0 GEADRO CS(=O)(=O)NCCC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774976279 653277723 /nfs/dbraw/zinc/27/77/23/653277723.db2.gz KMVSHPQTVCVASF-UHFFFAOYSA-N 1 0 378.317 2.088 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCc2sccc2C1 ZINC000684573896 653278395 /nfs/dbraw/zinc/27/83/95/653278395.db2.gz HOGUUVFTKRYSLV-UHFFFAOYSA-N 1 0 382.555 2.260 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1Br ZINC000874168750 653278399 /nfs/dbraw/zinc/27/83/99/653278399.db2.gz GRQCKAYNTKHABU-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3c(F)cccc3Br)CC[C@H]21 ZINC000874172212 653278607 /nfs/dbraw/zinc/27/86/07/653278607.db2.gz IRDACIUTCONDEM-GXFFZTMASA-N 1 0 384.249 2.079 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874172403 653278920 /nfs/dbraw/zinc/27/89/20/653278920.db2.gz YRHYDKCPZYZSAR-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)CC[C@@H]21 ZINC000874171792 653279302 /nfs/dbraw/zinc/27/93/02/653279302.db2.gz FRUNRDOZWAYWAJ-HZMBPMFUSA-N 1 0 384.249 2.079 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000874174041 653279624 /nfs/dbraw/zinc/27/96/24/653279624.db2.gz JQFZVDQDYRFRCE-YGRLFVJLSA-N 1 0 386.279 2.493 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000874174032 653279709 /nfs/dbraw/zinc/27/97/09/653279709.db2.gz JQFZVDQDYRFRCE-HZMBPMFUSA-N 1 0 386.279 2.493 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(F)cc1Br ZINC000874174002 653279856 /nfs/dbraw/zinc/27/98/56/653279856.db2.gz JMKCGVJQHMKPCT-IAQYHMDHSA-N 1 0 398.276 2.388 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1F ZINC000874177090 653280313 /nfs/dbraw/zinc/28/03/13/653280313.db2.gz YEJLKEPVPGSIBL-BXUZGUMPSA-N 1 0 398.276 2.388 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)CC[C@H]21 ZINC000874174100 653280629 /nfs/dbraw/zinc/28/06/29/653280629.db2.gz QDUYFVDWVVIJFX-IINYFYTJSA-N 1 0 384.249 2.079 20 0 GEADRO Brc1c(CN2CC[NH+](C[C@H]3CCCO3)CC2)nc2ccccn12 ZINC000809541729 653281406 /nfs/dbraw/zinc/28/14/06/653281406.db2.gz OUTFNNYTGLHHKR-CQSZACIVSA-N 1 0 379.302 2.393 20 0 GEADRO Nc1nc(-n2cccn2)cc(N2CCOc3c(Br)cccc3C2)[nH+]1 ZINC000684592620 653281630 /nfs/dbraw/zinc/28/16/30/653281630.db2.gz OIOOAZUAIMGMAT-UHFFFAOYSA-N 1 0 387.241 2.406 20 0 GEADRO O=C(c1c(Br)nc2n1CCOC2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000857124393 653287111 /nfs/dbraw/zinc/28/71/11/653287111.db2.gz XZWXFLPTSDYEKE-CYBMUJFWSA-N 1 0 397.317 2.266 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c(Br)nc2n1CCOC2 ZINC000857138133 653288359 /nfs/dbraw/zinc/28/83/59/653288359.db2.gz PAWNZYNEWPDGLC-LBPRGKRZSA-N 1 0 385.306 2.122 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775144505 653290875 /nfs/dbraw/zinc/29/08/75/653290875.db2.gz AYMFYRCSOJYYHT-ZDUSSCGKSA-N 1 0 390.286 2.026 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000809754172 653293296 /nfs/dbraw/zinc/29/32/96/653293296.db2.gz DZQGUUNRFLLGGS-OAHLLOKOSA-N 1 0 381.325 2.431 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000685101840 653293851 /nfs/dbraw/zinc/29/38/51/653293851.db2.gz JDUWCMDDUATURL-INIZCTEOSA-N 1 0 394.313 2.069 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000857183220 653295427 /nfs/dbraw/zinc/29/54/27/653295427.db2.gz CWGJIPSTPJJCTB-CQSZACIVSA-N 1 0 379.245 2.360 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cc(Br)ccc2C)C1 ZINC000685102986 653295681 /nfs/dbraw/zinc/29/56/81/653295681.db2.gz DMGNRWQXCAHYFL-AWEZNQCLSA-N 1 0 396.329 2.174 20 0 GEADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cnc([C@@H](C)O)s2)CC1 ZINC000809786394 653296019 /nfs/dbraw/zinc/29/60/19/653296019.db2.gz ZZONQRUPVJRQMC-QWHCGFSZSA-N 1 0 375.560 2.078 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3csc(Br)n3)CC2)CC1 ZINC000874256785 653295932 /nfs/dbraw/zinc/29/59/32/653295932.db2.gz NOWJSRJCTOTBSR-UHFFFAOYSA-N 1 0 387.347 2.194 20 0 GEADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)c1 ZINC000775171135 653299554 /nfs/dbraw/zinc/29/95/54/653299554.db2.gz WSIRZDHQUWRIAY-HNNXBMFYSA-N 1 0 386.323 2.195 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000685271799 653301431 /nfs/dbraw/zinc/30/14/31/653301431.db2.gz ZZBUWOKOUOBLFU-UHFFFAOYSA-N 1 0 396.333 2.107 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(C4SCCS4)c3)C[C@@H]21 ZINC000835794072 653302085 /nfs/dbraw/zinc/30/20/85/653302085.db2.gz YFPIZENAOJGUOE-HIFRSBDPSA-N 1 0 377.535 2.266 20 0 GEADRO O=C(NCCCCC[NH+]1CCCC1)c1c(Br)nc2n1CCOC2 ZINC000857272686 653305015 /nfs/dbraw/zinc/30/50/15/653305015.db2.gz OHMDBFLWXVWSRD-UHFFFAOYSA-N 1 0 385.306 2.172 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000685591250 653305996 /nfs/dbraw/zinc/30/59/96/653305996.db2.gz OHUQXPMYUXSRNC-HNNXBMFYSA-N 1 0 389.949 2.189 20 0 GEADRO C[C@@]1(CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1(Cl)Cl ZINC000835854519 653309848 /nfs/dbraw/zinc/30/98/48/653309848.db2.gz UZWXMWQBOCRRSC-OAHLLOKOSA-N 1 0 382.251 2.296 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874363284 653312385 /nfs/dbraw/zinc/31/23/85/653312385.db2.gz PPCKPUOUCLPKAH-CABCVRRESA-N 1 0 380.286 2.391 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1c(F)cccc1Br ZINC000874370368 653314565 /nfs/dbraw/zinc/31/45/65/653314565.db2.gz XOFWYMDZPQCSQL-STQMWFEESA-N 1 0 384.249 2.222 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874370507 653314587 /nfs/dbraw/zinc/31/45/87/653314587.db2.gz YWDSXCHTHYSLJF-ZIAGYGMSSA-N 1 0 396.285 2.091 20 0 GEADRO Cn1nccc1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775555019 653316545 /nfs/dbraw/zinc/31/65/45/653316545.db2.gz HEFXGFXBVQVALL-CQSZACIVSA-N 1 0 384.299 2.233 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1=O ZINC000857376878 653317958 /nfs/dbraw/zinc/31/79/58/653317958.db2.gz KRHMDABOSVZYTO-BFHYXJOUSA-N 1 0 376.328 2.019 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000810064810 653320557 /nfs/dbraw/zinc/32/05/57/653320557.db2.gz VLTJKHSHMIDHSG-UHFFFAOYSA-N 1 0 377.551 2.037 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000810070726 653320927 /nfs/dbraw/zinc/32/09/27/653320927.db2.gz WHTJNDSKGQWAJQ-HUUCEWRRSA-N 1 0 377.551 2.084 20 0 GEADRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3sccc3Br)C[C@]2(C)C1 ZINC000706203012 653321820 /nfs/dbraw/zinc/32/18/20/653321820.db2.gz MEBOSACFOIJSJA-STQMWFEESA-N 1 0 379.345 2.473 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)ccc1Br ZINC000775710034 653324551 /nfs/dbraw/zinc/32/45/51/653324551.db2.gz IKOJZJMIEKVAOJ-JTQLQIEISA-N 1 0 377.304 2.270 20 0 GEADRO COC(=O)[C@@](C)(NC[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000775730550 653326975 /nfs/dbraw/zinc/32/69/75/653326975.db2.gz AIMMUGLNZJKQEP-GUYCJALGSA-N 1 0 375.296 2.428 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000836087181 653329419 /nfs/dbraw/zinc/32/94/19/653329419.db2.gz OOBZHYLMRPLYPM-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)C1 ZINC000775811193 653330081 /nfs/dbraw/zinc/33/00/81/653330081.db2.gz AKVCKSUJDQNJPU-VXGBXAGGSA-N 1 0 399.289 2.239 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000775958931 653332998 /nfs/dbraw/zinc/33/29/98/653332998.db2.gz LXNKIDYELNKTEU-UHFFFAOYSA-N 1 0 376.258 2.022 20 0 GEADRO Cn1nnc(Br)c1-c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000810279561 653333119 /nfs/dbraw/zinc/33/31/19/653333119.db2.gz AICFURAOFCHBSX-UHFFFAOYSA-N 1 0 393.245 2.235 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)nc2n1CCOC2)C1CCCCC1 ZINC000857708812 653334090 /nfs/dbraw/zinc/33/40/90/653334090.db2.gz MROSBSGHJJHOEQ-ZDUSSCGKSA-N 1 0 399.333 2.416 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000874828270 653337981 /nfs/dbraw/zinc/33/79/81/653337981.db2.gz GRBWXFMUMKCHFI-STQMWFEESA-N 1 0 379.258 2.340 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1csc(I)n1 ZINC000874824478 653338361 /nfs/dbraw/zinc/33/83/61/653338361.db2.gz FSJVVGICXAUQQU-VHSXEESVSA-N 1 0 377.251 2.056 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000874828259 653338375 /nfs/dbraw/zinc/33/83/75/653338375.db2.gz GRBWXFMUMKCHFI-CHWSQXEVSA-N 1 0 379.258 2.340 20 0 GEADRO Cc1c(C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)nnn1C ZINC000857880316 653341788 /nfs/dbraw/zinc/34/17/88/653341788.db2.gz GLZJNUYETBAKTF-CQSZACIVSA-N 1 0 392.301 2.409 20 0 GEADRO CN1C[C@@H](C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)CC1=O ZINC000857883342 653341842 /nfs/dbraw/zinc/34/18/42/653341842.db2.gz RELPTGSUEZIDAN-DZGCQCFKSA-N 1 0 394.313 2.137 20 0 GEADRO Brc1ncn(CC[N@@H+]2CCc3nccc(Br)c3C2)n1 ZINC000857916093 653343039 /nfs/dbraw/zinc/34/30/39/653343039.db2.gz FGATUQJIYFOPOG-UHFFFAOYSA-N 1 0 387.079 2.256 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]Cc2cccc3n[nH]cc32)CC1)C(F)(F)F ZINC000858134241 653349647 /nfs/dbraw/zinc/34/96/47/653349647.db2.gz MWKVQMKZLRNKIG-UHFFFAOYSA-N 1 0 376.404 2.214 20 0 GEADRO Cc1cc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c(Br)cc1F ZINC000858153094 653351221 /nfs/dbraw/zinc/35/12/21/653351221.db2.gz HMPDHCQXNHNVRD-GFCCVEGCSA-N 1 0 379.295 2.410 20 0 GEADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000875100658 653351595 /nfs/dbraw/zinc/35/15/95/653351595.db2.gz WGHGBWOLUXRETK-UHFFFAOYSA-N 1 0 380.290 2.437 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCc1csc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000875106471 653351879 /nfs/dbraw/zinc/35/18/79/653351879.db2.gz TYMYIIDAJSNMFG-LLVKDONJSA-N 1 0 377.432 2.374 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@H]1CCCOC1 ZINC000858205875 653354450 /nfs/dbraw/zinc/35/44/50/653354450.db2.gz DGZGKPCSQKKWIR-UONOGXRCSA-N 1 0 375.922 2.111 20 0 GEADRO Cn1cc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c(Br)n1 ZINC000858234388 653356298 /nfs/dbraw/zinc/35/62/98/653356298.db2.gz MLZHQSGLHOVYLR-UHFFFAOYSA-N 1 0 380.290 2.086 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000858608898 653369369 /nfs/dbraw/zinc/36/93/69/653369369.db2.gz YYJUUIAYXPCQTO-FOSCPWQOSA-N 1 0 387.889 2.422 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1Cl ZINC000858607519 653369464 /nfs/dbraw/zinc/36/94/64/653369464.db2.gz DFNVKAPXLWMTMJ-SNVBAGLBSA-N 1 0 375.878 2.266 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000858608486 653369488 /nfs/dbraw/zinc/36/94/88/653369488.db2.gz JUHPGEVBHPEJNZ-QWRGUYRKSA-N 1 0 375.878 2.266 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1Cl ZINC000858616884 653370699 /nfs/dbraw/zinc/37/06/99/653370699.db2.gz VLEPVLCEPZOPEV-CQSZACIVSA-N 1 0 375.878 2.137 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)c(C)c1Cl ZINC000858615140 653370746 /nfs/dbraw/zinc/37/07/46/653370746.db2.gz FHSKYNAMVXAQMT-SNVBAGLBSA-N 1 0 380.919 2.115 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCSCCC(F)(F)F ZINC000875457198 653371003 /nfs/dbraw/zinc/37/10/03/653371003.db2.gz HMJUMTRHMDGSQX-ZDUSSCGKSA-N 1 0 383.480 2.025 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000836700657 653371726 /nfs/dbraw/zinc/37/17/26/653371726.db2.gz RJOPJPRYWUKWHU-AWEZNQCLSA-N 1 0 396.289 2.062 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC[C@H]1C(F)(F)F ZINC000858624560 653371861 /nfs/dbraw/zinc/37/18/61/653371861.db2.gz VUYDROARRVNWPH-HTQZYQBOSA-N 1 0 391.209 2.190 20 0 GEADRO Cc1csc([C@H](NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C(F)(F)F)n1 ZINC000836707099 653372130 /nfs/dbraw/zinc/37/21/30/653372130.db2.gz NWPKBJDJDPFVAI-TUAOUCFPSA-N 1 0 378.420 2.217 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000858633020 653372286 /nfs/dbraw/zinc/37/22/86/653372286.db2.gz VGJAWMIXJSSAKW-PSASIEDQSA-N 1 0 381.267 2.016 20 0 GEADRO O=Cc1cnc2c(Br)cc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cn12 ZINC000858677329 653374486 /nfs/dbraw/zinc/37/44/86/653374486.db2.gz GKVLZHIXUKZPCH-NSHDSACASA-N 1 0 391.269 2.123 20 0 GEADRO Cc1cc(Br)nc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000836761060 653375110 /nfs/dbraw/zinc/37/51/10/653375110.db2.gz YVCMTAIIMIRARH-ZDUSSCGKSA-N 1 0 384.322 2.158 20 0 GEADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000858889309 653382849 /nfs/dbraw/zinc/38/28/49/653382849.db2.gz FSIIIXYSBZMHAK-UHFFFAOYSA-N 1 0 380.283 2.088 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(Br)nc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000858902994 653384366 /nfs/dbraw/zinc/38/43/66/653384366.db2.gz YPQYQLPCBLWWID-WDEREUQCSA-N 1 0 394.310 2.382 20 0 GEADRO C[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000836869734 653384554 /nfs/dbraw/zinc/38/45/54/653384554.db2.gz RSOOOMUSXSMSMP-OZVIIMIRSA-N 1 0 375.296 2.330 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1Cl ZINC000858947672 653387094 /nfs/dbraw/zinc/38/70/94/653387094.db2.gz IVHALXVJXLITCS-UHFFFAOYSA-N 1 0 389.905 2.481 20 0 GEADRO O=C(NCc1ncc(Cl)s1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000875765144 653388958 /nfs/dbraw/zinc/38/89/58/653388958.db2.gz HLCOWCCSNHMOLT-CYBMUJFWSA-N 1 0 384.933 2.326 20 0 GEADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)OCc2ncsc2Br)cn1 ZINC000875799806 653391384 /nfs/dbraw/zinc/39/13/84/653391384.db2.gz WVSTYMGHBSZMKR-VXGBXAGGSA-N 1 0 399.314 2.418 20 0 GEADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c(Br)nnn1C)[NH+](C)C ZINC000811506303 653395235 /nfs/dbraw/zinc/39/52/35/653395235.db2.gz PNZJQZCRLGNCQC-AAEUAGOBSA-N 1 0 380.290 2.307 20 0 GEADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000811602147 653398926 /nfs/dbraw/zinc/39/89/26/653398926.db2.gz VWZOVZFNGSUZAS-ZDUSSCGKSA-N 1 0 387.933 2.338 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Br)nc1F ZINC000859097016 653405246 /nfs/dbraw/zinc/40/52/46/653405246.db2.gz KKVLVZBWJYPCNM-JTQLQIEISA-N 1 0 394.310 2.334 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)cc1Cl ZINC000859113785 653406974 /nfs/dbraw/zinc/40/69/74/653406974.db2.gz RTUQSHOHZWDSSO-UHFFFAOYSA-N 1 0 375.878 2.233 20 0 GEADRO O=C(NCc1ccc(Br)cn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000876214281 653407246 /nfs/dbraw/zinc/40/72/46/653407246.db2.gz MCAYMOHJOQNEFK-MRXNPFEDSA-N 1 0 397.317 2.240 20 0 GEADRO O=Cc1cnc2c(Br)cc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cn12 ZINC000859118822 653408263 /nfs/dbraw/zinc/40/82/63/653408263.db2.gz IKMFQJCONXWEDX-ZDUSSCGKSA-N 1 0 391.269 2.220 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)cc1Cl ZINC000859120898 653408891 /nfs/dbraw/zinc/40/88/91/653408891.db2.gz LQXCBWWOODVJKI-LLVKDONJSA-N 1 0 375.878 2.281 20 0 GEADRO CSC1(CNC(=O)c2sccc2S(=O)(=O)C(F)F)CC[NH+](C)CC1 ZINC000811933265 653413283 /nfs/dbraw/zinc/41/32/83/653413283.db2.gz HXKUKOWMLGHWTK-UHFFFAOYSA-N 1 0 398.522 2.302 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000811969788 653414231 /nfs/dbraw/zinc/41/42/31/653414231.db2.gz KDCZECVGHPZEJX-ZDUSSCGKSA-N 1 0 376.469 2.462 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000859168019 653415644 /nfs/dbraw/zinc/41/56/44/653415644.db2.gz HIYSRWXKKUOYCO-MRXNPFEDSA-N 1 0 387.889 2.235 20 0 GEADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000812310619 653421703 /nfs/dbraw/zinc/42/17/03/653421703.db2.gz KKWDSFLPAUWRJU-CYBMUJFWSA-N 1 0 387.933 2.193 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)/C=C/c2ccc(SC)s2)CC1 ZINC000859200370 653422194 /nfs/dbraw/zinc/42/21/94/653422194.db2.gz YHDYBMRYIREZIP-SOFGYWHQSA-N 1 0 381.567 2.496 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000859211425 653423689 /nfs/dbraw/zinc/42/36/89/653423689.db2.gz PYLBXCFFZJPHIQ-PHIMTYICSA-N 1 0 375.878 2.137 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCc2ncc(Cl)s2)CC1 ZINC000876367954 653425873 /nfs/dbraw/zinc/42/58/73/653425873.db2.gz ROAFLTKLLVOMQI-OKILXGFUSA-N 1 0 385.965 2.497 20 0 GEADRO C[C@]12CCN(C(=O)C3=CC[C@H]([NH3+])C3)C[C@H]1C2(Br)Br ZINC000876959025 653456138 /nfs/dbraw/zinc/45/61/38/653456138.db2.gz OAZNJDKLBNXQFT-UMNHJUIQSA-N 1 0 378.108 2.388 20 0 GEADRO O=C1[C@@H](N2CC[NH+](CCCCO)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000778221283 653434967 /nfs/dbraw/zinc/43/49/67/653434967.db2.gz KXCYNUPNZBWFPW-KRWDZBQOSA-N 1 0 386.323 2.489 20 0 GEADRO COc1ccc(I)c(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)c1 ZINC000876628379 653438618 /nfs/dbraw/zinc/43/86/18/653438618.db2.gz ZVUVUKFEBBMPFK-UFBFGSQYSA-N 1 0 378.185 2.186 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1(F)F ZINC000876629353 653438722 /nfs/dbraw/zinc/43/87/22/653438722.db2.gz ZRIWJQBUZYZBMQ-JHJVBQTASA-N 1 0 375.213 2.189 20 0 GEADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000876629359 653438727 /nfs/dbraw/zinc/43/87/27/653438727.db2.gz ZSYKLBOWTAZBOV-NUTKFTJISA-N 1 0 383.286 2.116 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837462640 653440483 /nfs/dbraw/zinc/44/04/83/653440483.db2.gz RRJGWAJHIJXNHD-GFCCVEGCSA-N 1 0 387.322 2.069 20 0 GEADRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000837479083 653441561 /nfs/dbraw/zinc/44/15/61/653441561.db2.gz CUNRRRHHENXZCJ-CQSZACIVSA-N 1 0 386.539 2.232 20 0 GEADRO CS[C@@H]1CN(C(=O)c2c(Br)nc3n2CCCC3)C[C@@H]1[NH+](C)C ZINC000837498026 653443935 /nfs/dbraw/zinc/44/39/35/653443935.db2.gz SOJPMBXXRHSQDS-WDEREUQCSA-N 1 0 387.347 2.100 20 0 GEADRO CC1(C2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)OCCO1 ZINC000876726176 653443993 /nfs/dbraw/zinc/44/39/93/653443993.db2.gz BYOPFCNKVTVRGS-UHFFFAOYSA-N 1 0 381.274 2.467 20 0 GEADRO O=C(Nc1ccc(Br)nc1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000876729544 653444430 /nfs/dbraw/zinc/44/44/30/653444430.db2.gz QCLRYTRIQKMOLY-QMMMGPOBSA-N 1 0 387.188 2.160 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000812955343 653446653 /nfs/dbraw/zinc/44/66/53/653446653.db2.gz GQJKZLSVRLFLDX-QWHCGFSZSA-N 1 0 397.317 2.470 20 0 GEADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cc(Br)c2nccn2c1 ZINC000876800173 653448458 /nfs/dbraw/zinc/44/84/58/653448458.db2.gz HMXBWBJLCVRIIT-UHFFFAOYSA-N 1 0 389.257 2.470 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c1 ZINC000876832015 653449822 /nfs/dbraw/zinc/44/98/22/653449822.db2.gz MTRRAMOEZIOVLW-STQMWFEESA-N 1 0 387.933 2.193 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2nc(Br)sc2Cl)CC12CCOCC2 ZINC000876868571 653451466 /nfs/dbraw/zinc/45/14/66/653451466.db2.gz GPUXAKOOGLYLJY-MRVPVSSYSA-N 1 0 394.722 2.387 20 0 GEADRO C[NH+](C)C[C@H](N)C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000876875823 653451468 /nfs/dbraw/zinc/45/14/68/653451468.db2.gz CANPYCBTXVYFNZ-IRXDYDNUSA-N 1 0 391.313 2.133 20 0 GEADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000876892999 653452197 /nfs/dbraw/zinc/45/21/97/653452197.db2.gz HBOLOKZMILLYAF-PWIULLJGSA-N 1 0 392.297 2.004 20 0 GEADRO CC[C@H](C(=O)OCCNC(=O)c1cncc(Br)c1)[NH+](CC)CC ZINC000778651585 653452176 /nfs/dbraw/zinc/45/21/76/653452176.db2.gz OGFFCTUXETXFKW-CQSZACIVSA-N 1 0 386.290 2.238 20 0 GEADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876911069 653453272 /nfs/dbraw/zinc/45/32/72/653453272.db2.gz UFBUGBQFJITJBL-MFKMUULPSA-N 1 0 383.221 2.063 20 0 GEADRO [NH3+]CCC[C@H](NC(=O)Cn1ccc(Br)cc1=O)c1ccccc1 ZINC000876914961 653453999 /nfs/dbraw/zinc/45/39/99/653453999.db2.gz JNFXTXVJYIQKOK-HNNXBMFYSA-N 1 0 378.270 2.207 20 0 GEADRO Cc1ccc(NC(=O)c2c(Br)nnn2C)c(OCC[NH+](C)C)c1 ZINC000813014873 653454254 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2.189 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cnn(C(C)C)c1I ZINC000876997787 653458701 /nfs/dbraw/zinc/45/87/01/653458701.db2.gz HKRIIHMSXYLWJV-LBPRGKRZSA-N 1 0 390.269 2.139 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cn(-c2ccccc2Br)nn1 ZINC000877002894 653458983 /nfs/dbraw/zinc/45/89/83/653458983.db2.gz FSZRJDNGOPDQGM-CQSZACIVSA-N 1 0 376.258 2.044 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000877017135 653460334 /nfs/dbraw/zinc/46/03/34/653460334.db2.gz LEXQHTMCIBQCQB-WDEREUQCSA-N 1 0 398.834 2.343 20 0 GEADRO C[C@@H](CC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC000877023249 653460789 /nfs/dbraw/zinc/46/07/89/653460789.db2.gz KDQYNKMKLPTIGD-ZDUSSCGKSA-N 1 0 377.551 2.130 20 0 GEADRO O=C(CC[NH2+]CC1CC1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031186 653462187 /nfs/dbraw/zinc/46/21/87/653462187.db2.gz RLIQQOHNDXWYHZ-OAHLLOKOSA-N 1 0 380.286 2.060 20 0 GEADRO [NH3+]CCCOCCNC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000877053232 653463783 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O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc2ccccc2nc1Br ZINC000841157339 653708440 /nfs/dbraw/zinc/70/84/40/653708440.db2.gz FVZVEZGIXDFFOM-LLVKDONJSA-N 1 0 391.269 2.052 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)C1 ZINC000841162573 653708647 /nfs/dbraw/zinc/70/86/47/653708647.db2.gz WAOYSTRVXPLEAK-MNOVXSKESA-N 1 0 388.320 2.471 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cnc(Cl)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000841168766 653708735 /nfs/dbraw/zinc/70/87/35/653708735.db2.gz PCOIHIRWDSYQOC-SNVBAGLBSA-N 1 0 389.681 2.037 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000785414686 653708851 /nfs/dbraw/zinc/70/88/51/653708851.db2.gz VJGLFYSJOSORJN-MRXNPFEDSA-N 1 0 397.292 2.485 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000785416597 653708893 /nfs/dbraw/zinc/70/88/93/653708893.db2.gz FWHAPPAWLHHCLP-INIZCTEOSA-N 1 0 379.302 2.346 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000841170224 653708999 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C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(S(C)(=O)=O)s2)CC1 ZINC000817423419 653711100 /nfs/dbraw/zinc/71/11/00/653711100.db2.gz IJZXWYYEHZCWKT-UHFFFAOYSA-N 1 0 379.507 2.156 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@@H]1[NH3+] ZINC000841229936 653711246 /nfs/dbraw/zinc/71/12/46/653711246.db2.gz SMHVQLHLFDVQHQ-KCJUWKMLSA-N 1 0 389.681 2.022 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cnc(Cl)c1Br ZINC000841228488 653711250 /nfs/dbraw/zinc/71/12/50/653711250.db2.gz FCIGOEVAKOFGNE-IONNQARKSA-N 1 0 389.681 2.001 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2s1 ZINC000841248901 653712246 /nfs/dbraw/zinc/71/22/46/653712246.db2.gz HZTXGNAJEZKKRW-PWSUYJOCSA-N 1 0 376.507 2.167 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841251478 653712406 /nfs/dbraw/zinc/71/24/06/653712406.db2.gz MFLDDTFCLBQJAE-QWHCGFSZSA-N 1 0 395.301 2.021 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)c(Br)c1 ZINC000785581748 653712865 /nfs/dbraw/zinc/71/28/65/653712865.db2.gz UWZDSXZGRBYNMM-CYBMUJFWSA-N 1 0 384.274 2.129 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2s1 ZINC000841275531 653712922 /nfs/dbraw/zinc/71/29/22/653712922.db2.gz DGYZRHATKXVSNC-MNOVXSKESA-N 1 0 378.523 2.400 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2c3c(ccc2Br)OCC3)[C@@H](C)C1 ZINC000880800016 653713787 /nfs/dbraw/zinc/71/37/87/653713787.db2.gz IXGCRULSQDDTNM-RYUDHWBXSA-N 1 0 398.301 2.303 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576951 653714856 /nfs/dbraw/zinc/71/48/56/653714856.db2.gz AYBYGXJTNPJSNI-CQSZACIVSA-N 1 0 387.347 2.110 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000864052341 653724779 /nfs/dbraw/zinc/72/47/79/653724779.db2.gz IOGFYUUMZZBQBT-UHFFFAOYSA-N 1 0 385.196 2.055 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH+](C)C)CC2)c1 ZINC000841455040 653717761 /nfs/dbraw/zinc/71/77/61/653717761.db2.gz QOPTUVHAQVBGSY-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863765921 653719759 /nfs/dbraw/zinc/71/97/59/653719759.db2.gz PXAWVFFVMUOJIY-ZDUSSCGKSA-N 1 0 384.318 2.239 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c(F)cc1Cl ZINC000841482028 653719849 /nfs/dbraw/zinc/71/98/49/653719849.db2.gz OYQODGSQZUGMGN-LLVKDONJSA-N 1 0 392.880 2.276 20 0 GEADRO COc1cc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000841487959 653720268 /nfs/dbraw/zinc/72/02/68/653720268.db2.gz ARTDISSGBMWSGV-AWEZNQCLSA-N 1 0 388.917 2.270 20 0 GEADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@H]1C[NH3+] ZINC000817863890 653721412 /nfs/dbraw/zinc/72/14/12/653721412.db2.gz WUSJJYWPVQEYDO-OPRDCNLKSA-N 1 0 396.738 2.491 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000863936450 653722422 /nfs/dbraw/zinc/72/24/22/653722422.db2.gz NJZSGHCKCOJIPD-CYBMUJFWSA-N 1 0 385.917 2.124 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[N@@H+]1C ZINC000881270171 653723764 /nfs/dbraw/zinc/72/37/64/653723764.db2.gz PWCXUFRPXFVXDP-KOLCDFICSA-N 1 0 397.273 2.384 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000818015755 653723837 /nfs/dbraw/zinc/72/38/37/653723837.db2.gz DDKTXARSKOBXCE-WMZOPIPTSA-N 1 0 394.313 2.371 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000818012272 653723845 /nfs/dbraw/zinc/72/38/45/653723845.db2.gz LSFUIVYNDHUOSE-GFCCVEGCSA-N 1 0 395.253 2.054 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016616 653724038 /nfs/dbraw/zinc/72/40/38/653724038.db2.gz ZKNVRBYIZRDCRU-QGZVFWFLSA-N 1 0 377.901 2.242 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(F)cc1Cl ZINC000841514909 653724687 /nfs/dbraw/zinc/72/46/87/653724687.db2.gz RDYUTWTWHONQPU-UHFFFAOYSA-N 1 0 392.880 2.371 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000864053702 653725017 /nfs/dbraw/zinc/72/50/17/653725017.db2.gz MVIVXCGHLHUFNF-BXUZGUMPSA-N 1 0 375.254 2.320 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000786630410 653726086 /nfs/dbraw/zinc/72/60/86/653726086.db2.gz XOUMVRJLVRMDRT-CYBMUJFWSA-N 1 0 382.302 2.056 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881274390 653726152 /nfs/dbraw/zinc/72/61/52/653726152.db2.gz ZWFHVDCPDWDJCR-UHFFFAOYSA-N 1 0 385.262 2.242 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c(F)cc1Cl ZINC000841530240 653728102 /nfs/dbraw/zinc/72/81/02/653728102.db2.gz RJOODRHLFWDOQL-UHFFFAOYSA-N 1 0 380.869 2.274 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c(Cl)cc1Cl ZINC000841531313 653728419 /nfs/dbraw/zinc/72/84/19/653728419.db2.gz YPMDPNOCHSTHJY-UHFFFAOYSA-N 1 0 383.297 2.399 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CCCCS(C)(=O)=O)ccc1S(=O)(=O)C(F)F ZINC000818351245 653730297 /nfs/dbraw/zinc/73/02/97/653730297.db2.gz ZUHWCUPSANCLMP-LLVKDONJSA-N 1 0 399.481 2.167 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@](C)(C[NH3+])C(C)C)c1 ZINC000818522174 653732525 /nfs/dbraw/zinc/73/25/25/653732525.db2.gz GWIDOXYYENFLBH-QGZVFWFLSA-N 1 0 389.949 2.474 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000818522175 653732603 /nfs/dbraw/zinc/73/26/03/653732603.db2.gz HLONHMWVAIOYDN-HZMBPMFUSA-N 1 0 389.315 2.100 20 0 GEADRO COc1cccc([C@@H](CNC(=O)c2ncc(Br)cn2)[NH+](C)C)c1 ZINC000787000387 653733014 /nfs/dbraw/zinc/73/30/14/653733014.db2.gz RBTIXJHNYNKQQB-CQSZACIVSA-N 1 0 379.258 2.280 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@](C)(C[NH3+])C2CC2)c1 ZINC000818555085 653733202 /nfs/dbraw/zinc/73/32/02/653733202.db2.gz YGLCZRITXNXKNO-KRWDZBQOSA-N 1 0 387.933 2.228 20 0 GEADRO CCCN(C(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@H]1CC[NH2+]C1 ZINC000818544605 653733285 /nfs/dbraw/zinc/73/32/85/653733285.db2.gz JVMPUOUTLJERMV-NSHDSACASA-N 1 0 389.315 2.067 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000818563983 653733597 /nfs/dbraw/zinc/73/35/97/653733597.db2.gz DCEKKRAOAARALY-NSHDSACASA-N 1 0 379.869 2.207 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000818563467 653733654 /nfs/dbraw/zinc/73/36/54/653733654.db2.gz MQELHMZBXZNGJY-NWDGAFQWSA-N 1 0 387.933 2.226 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000818582429 653733979 /nfs/dbraw/zinc/73/39/79/653733979.db2.gz QFLOCOUCPXAKGQ-GFCCVEGCSA-N 1 0 375.922 2.098 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000818594231 653734196 /nfs/dbraw/zinc/73/41/96/653734196.db2.gz KVIQKDMZUXMFLD-QGZVFWFLSA-N 1 0 387.933 2.181 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CCN1c1cc[nH+]cc1 ZINC000881633551 653734202 /nfs/dbraw/zinc/73/42/02/653734202.db2.gz KFKCWSFCXFSQBT-LLVKDONJSA-N 1 0 377.242 2.296 20 0 GEADRO CN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C1(C[NH3+])CCC1 ZINC000818597425 653734405 /nfs/dbraw/zinc/73/44/05/653734405.db2.gz VKNRIILKWSJGLD-UHFFFAOYSA-N 1 0 387.933 2.370 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000818613764 653734824 /nfs/dbraw/zinc/73/48/24/653734824.db2.gz BEXJLCYUQXDZJJ-OAHLLOKOSA-N 1 0 389.949 2.474 20 0 GEADRO CO[C@H]1CC(=O)N(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000787211324 653735584 /nfs/dbraw/zinc/73/55/84/653735584.db2.gz IWLHTQCCGOUUFO-HNNXBMFYSA-N 1 0 383.286 2.249 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000818948648 653739036 /nfs/dbraw/zinc/73/90/36/653739036.db2.gz UUHPXGYKHGQAJA-KRWDZBQOSA-N 1 0 386.876 2.389 20 0 GEADRO COC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819002112 653740729 /nfs/dbraw/zinc/74/07/29/653740729.db2.gz HSDCZMIONFMEMQ-SMDDNHRTSA-N 1 0 375.238 2.442 20 0 GEADRO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000819009998 653740796 /nfs/dbraw/zinc/74/07/96/653740796.db2.gz XNBOVBQRBRCBLB-QGZVFWFLSA-N 1 0 392.297 2.168 20 0 GEADRO CN(C)C(=O)CCN1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819042802 653741264 /nfs/dbraw/zinc/74/12/64/653741264.db2.gz MDBHWCWMEIVORG-QGZVFWFLSA-N 1 0 398.345 2.015 20 0 GEADRO CN(C)C(=O)CCN1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819044019 653741408 /nfs/dbraw/zinc/74/14/08/653741408.db2.gz XRJARDLHDFVZJM-KRWDZBQOSA-N 1 0 398.345 2.015 20 0 GEADRO CN1CCN(C)[C@@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819050612 653741607 /nfs/dbraw/zinc/74/16/07/653741607.db2.gz UFJLGJSAOOVYLV-XJKSGUPXSA-N 1 0 390.753 2.145 20 0 GEADRO CC(C)(C)[S@](=O)CC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000819055189 653741823 /nfs/dbraw/zinc/74/18/23/653741823.db2.gz DAZDNDKCGGWOMW-YEJXKQKISA-N 1 0 378.332 2.326 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Cl)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000864620930 653742315 /nfs/dbraw/zinc/74/23/15/653742315.db2.gz RYJALJYZSGUQBH-HONMWMINSA-N 1 0 385.251 2.392 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819065945 653742369 /nfs/dbraw/zinc/74/23/69/653742369.db2.gz VWRNGDRMIRRRES-HZMBPMFUSA-N 1 0 382.295 2.209 20 0 GEADRO [NH3+]CCc1ccc(CNC(=O)NCCCCn2cc(Br)cn2)cc1 ZINC000841891550 653742426 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C[N@@H+]1CCn2nc(NCc3ncc(I)s3)cc2C1 ZINC000865845913 653777107 /nfs/dbraw/zinc/77/71/07/653777107.db2.gz JDLKVJRNGKUHCG-UHFFFAOYSA-N 1 0 375.239 2.002 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000843052060 653778016 /nfs/dbraw/zinc/77/80/16/653778016.db2.gz KTTILMZDFVTYIJ-UHFFFAOYSA-N 1 0 378.217 2.301 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000843052386 653778402 /nfs/dbraw/zinc/77/84/02/653778402.db2.gz QXENDCXMFCBYBE-UHFFFAOYSA-N 1 0 377.670 2.071 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H](O)C2CCCC2)cc1Br ZINC000865878120 653778509 /nfs/dbraw/zinc/77/85/09/653778509.db2.gz ZVFIPXMUCLVQLK-CQSZACIVSA-N 1 0 391.331 2.127 20 0 GEADRO Cn1cc([C@@H](O)C[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)cn1 ZINC000843091143 653778973 /nfs/dbraw/zinc/77/89/73/653778973.db2.gz GSIZKKCYATXWNK-GJZGRUSLSA-N 1 0 388.693 2.367 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNc2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000820628791 653779219 /nfs/dbraw/zinc/77/92/19/653779219.db2.gz BMXYCGVBPWRJFP-CYBMUJFWSA-N 1 0 384.933 2.060 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC[C@](C)(O)c1ccc(Br)cc1F ZINC000843100655 653779329 /nfs/dbraw/zinc/77/93/29/653779329.db2.gz DWOBLDCEVQQKHG-PBHICJAKSA-N 1 0 391.325 2.478 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)C2 ZINC000843111504 653779723 /nfs/dbraw/zinc/77/97/23/653779723.db2.gz FLTOLUOHWDNUKO-SCLBCKFNSA-N 1 0 394.313 2.127 20 0 GEADRO CN(C[C@H](O)C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000843112999 653779804 /nfs/dbraw/zinc/77/98/04/653779804.db2.gz ZMNAEILJAVXVKS-CABCVRRESA-N 1 0 376.856 2.330 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C2 ZINC000843116144 653779980 /nfs/dbraw/zinc/77/99/80/653779980.db2.gz WDNRWDYHFPJRHK-YJBOKZPZSA-N 1 0 394.313 2.127 20 0 GEADRO C[C@@](O)(C[NH2+][C@@H](CO)CN1CCCC1)c1ccc(Br)cc1Cl ZINC000843117909 653780031 /nfs/dbraw/zinc/78/00/31/653780031.db2.gz VEFOWJINYWHXDB-CZUORRHYSA-N 1 0 391.737 2.356 20 0 GEADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@H]1O)COc1cccc(Br)c1 ZINC000843115846 653780039 /nfs/dbraw/zinc/78/00/39/653780039.db2.gz JYDQHVPJSPAABX-RPVQJOFSSA-N 1 0 394.265 2.273 20 0 GEADRO [NH3+]CCc1noc([C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)n1 ZINC000843130937 653780220 /nfs/dbraw/zinc/78/02/20/653780220.db2.gz CLLGPSMLDSBLOT-LLVKDONJSA-N 1 0 397.248 2.492 20 0 GEADRO Ic1cnc2ccc(-c3nc(C4CC[NH2+]CC4)no3)cn12 ZINC000843139150 653780538 /nfs/dbraw/zinc/78/05/38/653780538.db2.gz ANYRXWNQOOSOOI-UHFFFAOYSA-N 1 0 395.204 2.456 20 0 GEADRO [NH3+]C1CCN(c2ccc(-c3noc(C[C@H]4CSCCS4)n3)cn2)CC1 ZINC000843146437 653780545 /nfs/dbraw/zinc/78/05/45/653780545.db2.gz JGWUMLXENRPMJM-AWEZNQCLSA-N 1 0 377.539 2.450 20 0 GEADRO CC(C)[C@H]([NH3+])c1noc(CN2c3ccc(Br)cc3OCC2=O)n1 ZINC000843153474 653780616 /nfs/dbraw/zinc/78/06/16/653780616.db2.gz VKSDRPRMXKYBKE-AWEZNQCLSA-N 1 0 381.230 2.414 20 0 GEADRO Cn1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccc(Cl)s2)n1 ZINC000789750707 653781015 /nfs/dbraw/zinc/78/10/15/653781015.db2.gz CREFRVFNLLXZBS-VXGBXAGGSA-N 1 0 380.901 2.395 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843260831 653782271 /nfs/dbraw/zinc/78/22/71/653782271.db2.gz FZADUWFWBBIPPX-UHFFFAOYSA-N 1 0 376.320 2.104 20 0 GEADRO COc1ccc(Br)cc1C1(c2noc(C[C@H]3C[NH2+]CCO3)n2)CC1 ZINC000843242320 653782313 /nfs/dbraw/zinc/78/23/13/653782313.db2.gz SLTVWPOFGLIVSO-LBPRGKRZSA-N 1 0 394.269 2.452 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000789911676 653782620 /nfs/dbraw/zinc/78/26/20/653782620.db2.gz IEQCXQDALIUKFD-UHFFFAOYSA-N 1 0 386.949 2.353 20 0 GEADRO COC(=O)[C@@H]1CN(c2ccc([S@](=N)(=O)C(F)(F)F)cc2)CC[N@H+](C)C1 ZINC000882450980 653782583 /nfs/dbraw/zinc/78/25/83/653782583.db2.gz BCROCSXODKJSBE-FTJNGKRUSA-N 1 0 379.404 2.153 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000789972201 653783627 /nfs/dbraw/zinc/78/36/27/653783627.db2.gz DWKPHURZMZISKN-LLVKDONJSA-N 1 0 378.826 2.048 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+]2CC)ccc1Cl ZINC000882479339 653784112 /nfs/dbraw/zinc/78/41/12/653784112.db2.gz SZOKKLPMTKGBMT-CQSZACIVSA-N 1 0 387.933 2.195 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000882483869 653784359 /nfs/dbraw/zinc/78/43/59/653784359.db2.gz MMLBCPUSEOAYBF-OLZOCXBDSA-N 1 0 380.286 2.012 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000882484282 653784475 /nfs/dbraw/zinc/78/44/75/653784475.db2.gz YCFGJPGSUJVXJR-CYBMUJFWSA-N 1 0 378.523 2.139 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(Cl)c1I ZINC000882489687 653784630 /nfs/dbraw/zinc/78/46/30/653784630.db2.gz UGBICMKIXQWKLV-QMMMGPOBSA-N 1 0 379.629 2.164 20 0 GEADRO Nc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc(Br)n1 ZINC000820856477 653785128 /nfs/dbraw/zinc/78/51/28/653785128.db2.gz YHGHFHGEOPADLH-AWEZNQCLSA-N 1 0 397.317 2.143 20 0 GEADRO C[NH+](C)CCCOC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000820864735 653785400 /nfs/dbraw/zinc/78/54/00/653785400.db2.gz GSUSQWFSAOKHDW-UHFFFAOYSA-N 1 0 392.315 2.498 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000843407537 653786315 /nfs/dbraw/zinc/78/63/15/653786315.db2.gz HRCBLOYATXNBOG-HOTGVXAUSA-N 1 0 383.286 2.118 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000843480358 653787905 /nfs/dbraw/zinc/78/79/05/653787905.db2.gz WKKLMERZZDMPFM-JRPNMDOOSA-N 1 0 379.917 2.390 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843487046 653788341 /nfs/dbraw/zinc/78/83/41/653788341.db2.gz ZAMFMIJUJIRSFK-WDEREUQCSA-N 1 0 378.466 2.206 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000843502771 653788505 /nfs/dbraw/zinc/78/85/05/653788505.db2.gz FSYQPLCWDFGACL-QWHCGFSZSA-N 1 0 387.933 2.370 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NCCCCCC[NH3+])c1 ZINC000843510336 653788837 /nfs/dbraw/zinc/78/88/37/653788837.db2.gz MYZWGFDBESDHFD-UHFFFAOYSA-N 1 0 377.304 2.102 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCCCC[NH3+])C2)s1 ZINC000843510279 653788853 /nfs/dbraw/zinc/78/88/53/653788853.db2.gz LYJMUNZLTSGUFJ-HNNXBMFYSA-N 1 0 387.571 2.093 20 0 GEADRO [NH3+]CCCCCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000843510166 653788879 /nfs/dbraw/zinc/78/88/79/653788879.db2.gz ZEBUSYVZFHNXLS-CYBMUJFWSA-N 1 0 382.302 2.437 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866295982 653790430 /nfs/dbraw/zinc/79/04/30/653790430.db2.gz MBDTUUJFPKMUJX-DZGCQCFKSA-N 1 0 378.416 2.312 20 0 GEADRO O=C(c1cc(Br)cn2ccnc12)N1CC[NH+](C2CCOCC2)CC1 ZINC000866319735 653790602 /nfs/dbraw/zinc/79/06/02/653790602.db2.gz HIRYWTFAJWFOLC-UHFFFAOYSA-N 1 0 393.285 2.034 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000866439310 653795710 /nfs/dbraw/zinc/79/57/10/653795710.db2.gz FWEYRBLOVKPOAQ-MYTXZNPBSA-N 1 0 383.286 2.351 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cn2ccnc12 ZINC000866454689 653796522 /nfs/dbraw/zinc/79/65/22/653796522.db2.gz PCLRZUSPCRZVBQ-ZDUSSCGKSA-N 1 0 383.290 2.183 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@@H]3CCc4cc(Br)ccc4C3)COCCN12 ZINC000866519220 653800287 /nfs/dbraw/zinc/80/02/87/653800287.db2.gz OHBGVQVXPSEBCQ-WBVHZDCISA-N 1 0 381.270 2.117 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@@H]3CCCOc4c(Br)cccc43)COCCN12 ZINC000866523476 653800589 /nfs/dbraw/zinc/80/05/89/653800589.db2.gz DECGZHAMVVXFBK-PBHICJAKSA-N 1 0 397.269 2.474 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c(Br)c1 ZINC000866525555 653800788 /nfs/dbraw/zinc/80/07/88/653800788.db2.gz SAMXVNITJZMOCV-BDJLRTHQSA-N 1 0 385.258 2.330 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000866577283 653802973 /nfs/dbraw/zinc/80/29/73/653802973.db2.gz DOZHVLUFAKKGQS-LFPIHBKWSA-N 1 0 380.535 2.225 20 0 GEADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844199325 653803366 /nfs/dbraw/zinc/80/33/66/653803366.db2.gz YMLWVNGZGZPJBM-ZDUSSCGKSA-N 1 0 378.523 2.185 20 0 GEADRO Nc1nc(N2CCC[C@@H](OC(=O)c3cncc(Br)c3)C2)cc[nH+]1 ZINC000791106664 653803482 /nfs/dbraw/zinc/80/34/82/653803482.db2.gz JQLBNQJYUNBTBN-GFCCVEGCSA-N 1 0 378.230 2.042 20 0 GEADRO OCC1([NH2+]CC2CC2)CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000844335797 653805148 /nfs/dbraw/zinc/80/51/48/653805148.db2.gz RJFMDQJUZNAGOJ-QGZVFWFLSA-N 1 0 383.330 2.309 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000866632349 653807485 /nfs/dbraw/zinc/80/74/85/653807485.db2.gz YLIVHUGJOULVMA-CYBMUJFWSA-N 1 0 375.254 2.464 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000882798007 653809040 /nfs/dbraw/zinc/80/90/40/653809040.db2.gz MGHBCZKUVDKFGA-UHFFFAOYSA-N 1 0 382.452 2.326 20 0 GEADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccnc(Cl)c2c1 ZINC000866674604 653809770 /nfs/dbraw/zinc/80/97/70/653809770.db2.gz BCXDCLCZPBEBFC-KBPBESRZSA-N 1 0 381.885 2.030 20 0 GEADRO Cc1ccc(Br)c(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n1 ZINC000882813124 653810472 /nfs/dbraw/zinc/81/04/72/653810472.db2.gz FUBWQRSHGWWQCN-UHFFFAOYSA-N 1 0 381.318 2.463 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000821883751 653810742 /nfs/dbraw/zinc/81/07/42/653810742.db2.gz JMMQVXDICGBLCL-UHFFFAOYSA-N 1 0 375.311 2.099 20 0 GEADRO Cn1cc(C[NH2+][C@@H](CO)CC2CCCCC2)c(I)n1 ZINC000895025173 653813152 /nfs/dbraw/zinc/81/31/52/653813152.db2.gz OHFMKHCQCADIEN-CYBMUJFWSA-N 1 0 377.270 2.446 20 0 GEADRO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000866710689 653813714 /nfs/dbraw/zinc/81/37/14/653813714.db2.gz SXAYPFPSXFVQFL-QLFBSQMISA-N 1 0 376.507 2.239 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714051 653814149 /nfs/dbraw/zinc/81/41/49/653814149.db2.gz DXEUYCTVJPMURA-KSYCFECVSA-N 1 0 380.286 2.377 20 0 GEADRO CC[S@@](C)(=O)=NS(=O)(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000866717960 653814784 /nfs/dbraw/zinc/81/47/84/653814784.db2.gz VCCYDWIWKRVYFE-XMMPIXPASA-N 1 0 387.571 2.193 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866721582 653815336 /nfs/dbraw/zinc/81/53/36/653815336.db2.gz WWQFHSMCGHZBFB-HUUCEWRRSA-N 1 0 399.276 2.364 20 0 GEADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1C(F)(F)F ZINC000866722083 653815369 /nfs/dbraw/zinc/81/53/69/653815369.db2.gz UDCJFWMZUJZPID-GFCCVEGCSA-N 1 0 380.436 2.078 20 0 GEADRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cc(OC)c(O)cc2Br)C1(F)F ZINC000895087337 653816543 /nfs/dbraw/zinc/81/65/43/653816543.db2.gz CEZVMJIAGPIHIH-PELKAZGASA-N 1 0 380.185 2.307 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1csc(I)n1 ZINC000822100028 653818449 /nfs/dbraw/zinc/81/84/49/653818449.db2.gz AERKLXPJPFGXNG-VIFPVBQESA-N 1 0 379.267 2.352 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1nc(Br)ccc1F ZINC000791652466 653820149 /nfs/dbraw/zinc/82/01/49/653820149.db2.gz CJQSTPIPXIDOHR-RTXFEEFZSA-N 1 0 386.265 2.307 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000822235538 653820711 /nfs/dbraw/zinc/82/07/11/653820711.db2.gz LQONVNSGFRVKLM-UHFFFAOYSA-N 1 0 390.272 2.247 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000895160925 653821068 /nfs/dbraw/zinc/82/10/68/653821068.db2.gz PADANRMCIJHNOU-UHFFFAOYSA-N 1 0 383.290 2.480 20 0 GEADRO Cc1cc(Br)cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000895165707 653821192 /nfs/dbraw/zinc/82/11/92/653821192.db2.gz MMTCXVGZSNYNRN-INIZCTEOSA-N 1 0 383.334 2.361 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000866766447 653821906 /nfs/dbraw/zinc/82/19/06/653821906.db2.gz RUPUIXZEPWCJIZ-LLVKDONJSA-N 1 0 379.320 2.395 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000866770385 653822366 /nfs/dbraw/zinc/82/23/66/653822366.db2.gz WGADNKSNFAVLMR-PWSUYJOCSA-N 1 0 386.930 2.497 20 0 GEADRO C[C@H]1CC2(CN1S(=O)(=O)c1cc3nc(Cl)ncc3s1)CC[NH2+]CC2 ZINC000866773970 653823290 /nfs/dbraw/zinc/82/32/90/653823290.db2.gz LTQPUCFGLMANDD-JTQLQIEISA-N 1 0 386.930 2.497 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000822330668 653823414 /nfs/dbraw/zinc/82/34/14/653823414.db2.gz QCDUEDLJEPZGNC-UHFFFAOYSA-N 1 0 380.905 2.262 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000866775692 653823835 /nfs/dbraw/zinc/82/38/35/653823835.db2.gz MJCKTAYMXXUTGS-UHFFFAOYSA-N 1 0 391.331 2.267 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CC[C@H]1F ZINC000866778372 653824216 /nfs/dbraw/zinc/82/42/16/653824216.db2.gz DGTUQAPDVUJJDX-NXEZZACHSA-N 1 0 377.235 2.255 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)CC[C@H]1C(F)(F)F ZINC000866778649 653824450 /nfs/dbraw/zinc/82/44/50/653824450.db2.gz BEILRSJBAZAIQU-JGVFFNPUSA-N 1 0 375.775 2.022 20 0 GEADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1cc(Br)cc(Br)c1 ZINC000866780559 653824816 /nfs/dbraw/zinc/82/48/16/653824816.db2.gz GABSHSCPEDBXSI-SSDOTTSWSA-N 1 0 386.109 2.179 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895300191 653826836 /nfs/dbraw/zinc/82/68/36/653826836.db2.gz JIFCKYNAJUQWRD-RISCZKNCSA-N 1 0 384.274 2.217 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000866793125 653827094 /nfs/dbraw/zinc/82/70/94/653827094.db2.gz OEFGEHOBCPGYLX-HAQNSBGRSA-N 1 0 391.331 2.395 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866795832 653827691 /nfs/dbraw/zinc/82/76/91/653827691.db2.gz KWMWQQXGIOUAFG-UHFFFAOYSA-N 1 0 375.288 2.102 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000895337016 653828311 /nfs/dbraw/zinc/82/83/11/653828311.db2.gz CDCQHODOEOIJON-HNNXBMFYSA-N 1 0 387.933 2.369 20 0 GEADRO CCOc1ccc(Br)cc1-c1noc([C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000844916130 653829251 /nfs/dbraw/zinc/82/92/51/653829251.db2.gz UJXHGUPEANAXHZ-QFYYESIMSA-N 1 0 380.242 2.385 20 0 GEADRO C[NH+](C)CC[C@H](N)c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000844916441 653829298 /nfs/dbraw/zinc/82/92/98/653829298.db2.gz WYSIZRANYIXSTH-NSHDSACASA-N 1 0 383.246 2.103 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000866805776 653829794 /nfs/dbraw/zinc/82/97/94/653829794.db2.gz QNYYNAUFWODBHE-KLPPZKSPSA-N 1 0 377.304 2.254 20 0 GEADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000866808408 653830043 /nfs/dbraw/zinc/83/00/43/653830043.db2.gz MPOYOJDQWRRINW-XWEPSHTISA-N 1 0 387.221 2.484 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)C[C@@H]1C(F)(F)F ZINC000895368776 653830215 /nfs/dbraw/zinc/83/02/15/653830215.db2.gz KUJCXAXNPZSGCX-QNSTZXKLSA-N 1 0 385.448 2.452 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)c2ncc(I)s2)CC1 ZINC000883153286 653830592 /nfs/dbraw/zinc/83/05/92/653830592.db2.gz YSNXKROKJVINOQ-UHFFFAOYSA-N 1 0 391.278 2.448 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000866820057 653832209 /nfs/dbraw/zinc/83/22/09/653832209.db2.gz DSTVTQRMDJKOQJ-UHFFFAOYSA-N 1 0 384.395 2.282 20 0 GEADRO COCCC1(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)CC[NH2+]CC1 ZINC000866821577 653832866 /nfs/dbraw/zinc/83/28/66/653832866.db2.gz LGAUDPWARQSYMY-LBPRGKRZSA-N 1 0 388.917 2.100 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866822116 653833147 /nfs/dbraw/zinc/83/31/47/653833147.db2.gz AADWTYHOHXITJT-QEJZJMRPSA-N 1 0 388.917 2.269 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866824074 653833528 /nfs/dbraw/zinc/83/35/28/653833528.db2.gz RGIZEIBPAANCIV-KGLIPLIRSA-N 1 0 377.279 2.244 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866827193 653834008 /nfs/dbraw/zinc/83/40/08/653834008.db2.gz JCDXEZSKAOUFLP-UONOGXRCSA-N 1 0 381.885 2.412 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827943 653834303 /nfs/dbraw/zinc/83/43/03/653834303.db2.gz UBQZKXAPMHQGOP-CHWSQXEVSA-N 1 0 389.315 2.281 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000883299796 653834472 /nfs/dbraw/zinc/83/44/72/653834472.db2.gz GEYVIWZFWZGXSJ-GFCCVEGCSA-N 1 0 390.299 2.277 20 0 GEADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCC=C(Br)C3)cc21 ZINC000822689800 653836330 /nfs/dbraw/zinc/83/63/30/653836330.db2.gz HGGQSRMMDZJQQF-UHFFFAOYSA-N 1 0 393.285 2.428 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000895462484 653836382 /nfs/dbraw/zinc/83/63/82/653836382.db2.gz WYTDGMNTODSHRE-UHFFFAOYSA-N 1 0 390.269 2.319 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccc(Br)cc2=O)C1 ZINC000866841491 653836549 /nfs/dbraw/zinc/83/65/49/653836549.db2.gz DIIYRGMEUHDRGD-AWEZNQCLSA-N 1 0 384.318 2.095 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000883359181 653836929 /nfs/dbraw/zinc/83/69/29/653836929.db2.gz ZSBHAZLEJYAUJK-CABZTGNLSA-N 1 0 390.374 2.146 20 0 GEADRO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCCOC1 ZINC000883354618 653836977 /nfs/dbraw/zinc/83/69/77/653836977.db2.gz ZVEXAUKORBDRMM-GXTWGEPZSA-N 1 0 391.331 2.391 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000792222870 653838308 /nfs/dbraw/zinc/83/83/08/653838308.db2.gz CNOJSMHCZPFJNM-WBVHZDCISA-N 1 0 395.297 2.122 20 0 GEADRO O=C1COc2cc(Br)cc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2N1 ZINC000883398343 653838730 /nfs/dbraw/zinc/83/87/30/653838730.db2.gz KLWKDCLFTDKTMT-ZDUSSCGKSA-N 1 0 396.285 2.445 20 0 GEADRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1S(C)(=O)=O ZINC000895508747 653838825 /nfs/dbraw/zinc/83/88/25/653838825.db2.gz JPWNITIUGVHWIC-SWLSCSKDSA-N 1 0 397.827 2.007 20 0 GEADRO C[C@]1(C(=O)N2CC[NH+](CC3CC3)CC2)CC1(Br)Br ZINC000822763279 653839390 /nfs/dbraw/zinc/83/93/90/653839390.db2.gz OHILKKMRSUXQQT-GFCCVEGCSA-N 1 0 380.124 2.437 20 0 GEADRO COc1cc(CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(Br)cc1O ZINC000895527089 653839549 /nfs/dbraw/zinc/83/95/49/653839549.db2.gz BRLUDUWXMYINFX-GFCCVEGCSA-N 1 0 386.290 2.399 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC1 ZINC000866862212 653839901 /nfs/dbraw/zinc/83/99/01/653839901.db2.gz DBXIINUFGOSCOT-UHFFFAOYSA-N 1 0 387.889 2.213 20 0 GEADRO [NH3+]CCN(CCS(=O)(=O)c1ccc(Br)cc1)CC(F)(F)F ZINC000883445731 653840255 /nfs/dbraw/zinc/84/02/55/653840255.db2.gz JWXMPHMUAJROLD-UHFFFAOYSA-N 1 0 389.237 2.046 20 0 GEADRO [NH3+]CCN(CC(=O)Nc1c(F)cc(F)cc1Br)CC(F)(F)F ZINC000883445073 653840344 /nfs/dbraw/zinc/84/03/44/653840344.db2.gz GGIPGZAISQCJTB-UHFFFAOYSA-N 1 0 390.150 2.489 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)/C=C3\SCC(=O)N3C)C2)s1 ZINC000822794001 653840836 /nfs/dbraw/zinc/84/08/36/653840836.db2.gz HHVXTLGQWZTKRM-RQRKTLAASA-N 1 0 379.551 2.383 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000883471867 653841254 /nfs/dbraw/zinc/84/12/54/653841254.db2.gz BOSQTGSZIQTFIT-UHFFFAOYSA-N 1 0 396.616 2.009 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c(C)c1Cl ZINC000883471445 653841341 /nfs/dbraw/zinc/84/13/41/653841341.db2.gz LPPVTINOUJDGAX-UHFFFAOYSA-N 1 0 394.824 2.008 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000883474258 653841593 /nfs/dbraw/zinc/84/15/93/653841593.db2.gz HYGOXCMEFSLOPA-SNVBAGLBSA-N 1 0 382.711 2.260 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C2(C[NH3+])CCCCC2)c1 ZINC000883476407 653842038 /nfs/dbraw/zinc/84/20/38/653842038.db2.gz GOKYHJMUYWYDDK-UHFFFAOYSA-N 1 0 387.933 2.324 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000866881037 653842097 /nfs/dbraw/zinc/84/20/97/653842097.db2.gz YMEFJQCVRMNEQA-UPCLLVRISA-N 1 0 385.555 2.196 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)Cc1ccc(F)c(Cl)c1)C2 ZINC000883480742 653842381 /nfs/dbraw/zinc/84/23/81/653842381.db2.gz LPNOJEGFRQXFMS-UHFFFAOYSA-N 1 0 375.878 2.282 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)cc1Cl ZINC000883480916 653842389 /nfs/dbraw/zinc/84/23/89/653842389.db2.gz QXRUDUNOTWSVAT-UHFFFAOYSA-N 1 0 387.914 2.319 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)CCC1Cc3ccccc3C1)C2 ZINC000883480599 653842425 /nfs/dbraw/zinc/84/24/25/653842425.db2.gz HNGWGALEBUZNIW-UHFFFAOYSA-N 1 0 377.535 2.095 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(CC[NH+](C)C)C(C)C)c1cccc(Br)c1 ZINC000866882859 653842602 /nfs/dbraw/zinc/84/26/02/653842602.db2.gz ASJIYPPRWOEJLQ-MRXNPFEDSA-N 1 0 384.318 2.425 20 0 GEADRO CC(C)COc1ccc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000883481502 653842687 /nfs/dbraw/zinc/84/26/87/653842687.db2.gz NWLKERRSVRISBR-UHFFFAOYSA-N 1 0 381.523 2.384 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2 ZINC000883481201 653842743 /nfs/dbraw/zinc/84/27/43/653842743.db2.gz AQYDHXRGISWHPS-UHFFFAOYSA-N 1 0 393.412 2.247 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cnc(Cl)c(Cl)c1)C2 ZINC000883481410 653842771 /nfs/dbraw/zinc/84/27/71/653842771.db2.gz KFORTKPQXNCFNQ-UHFFFAOYSA-N 1 0 379.294 2.051 20 0 GEADRO CC1(C)Cc2cc(S(=O)(=O)N3CCc4sc(C[NH3+])nc4C3)ccc2O1 ZINC000883481613 653842794 /nfs/dbraw/zinc/84/27/94/653842794.db2.gz TXBQNWPKGFFMQM-UHFFFAOYSA-N 1 0 379.507 2.062 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(OC)cc2Br)CC1 ZINC000883483906 653843114 /nfs/dbraw/zinc/84/31/14/653843114.db2.gz YOXQQTQFHJOOSA-UHFFFAOYSA-N 1 0 377.304 2.350 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000845344000 653844461 /nfs/dbraw/zinc/84/44/61/653844461.db2.gz TWTCPMKNTOSRMP-ZNMIVQPWSA-N 1 0 395.297 2.295 20 0 GEADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@@](C)(=O)CC ZINC000866899741 653846033 /nfs/dbraw/zinc/84/60/33/653846033.db2.gz MUZRZXIWMVWRRK-OSPHWJPCSA-N 1 0 387.571 2.193 20 0 GEADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@](C)(=O)CC ZINC000866899740 653846127 /nfs/dbraw/zinc/84/61/27/653846127.db2.gz MUZRZXIWMVWRRK-MZNJEOGPSA-N 1 0 387.571 2.193 20 0 GEADRO CO[C@H](C[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)[C@H]1CCOC1 ZINC000895693750 653846269 /nfs/dbraw/zinc/84/62/69/653846269.db2.gz BRWKSDDHYOWQCJ-VBNZEHGJSA-N 1 0 383.286 2.344 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883592430 653846479 /nfs/dbraw/zinc/84/64/79/653846479.db2.gz HWUDKPZOPBHJIO-SNVBAGLBSA-N 1 0 397.273 2.373 20 0 GEADRO C[C@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)[C@H]1C[NH3+] ZINC000883592922 653846483 /nfs/dbraw/zinc/84/64/83/653846483.db2.gz XFTURHSXGVXVRF-CABZTGNLSA-N 1 0 397.273 2.371 20 0 GEADRO COC(=O)[C@]1(O)CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000895701698 653846555 /nfs/dbraw/zinc/84/65/55/653846555.db2.gz CGEDXTSEGMXFDT-KRWDZBQOSA-N 1 0 394.269 2.053 20 0 GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N[C@@H]1CCC[NH2+]CC1 ZINC000883593354 653846805 /nfs/dbraw/zinc/84/68/05/653846805.db2.gz HEOHKHWIBZCGGH-SNVBAGLBSA-N 1 0 383.246 2.044 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593787 653846966 /nfs/dbraw/zinc/84/69/66/653846966.db2.gz REZQVZZDDXAFTI-NSHDSACASA-N 1 0 397.273 2.434 20 0 GEADRO C[C@@H]1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C[C@@H]1C[NH3+] ZINC000883593455 653846999 /nfs/dbraw/zinc/84/69/99/653846999.db2.gz JRHHAPKZQKFMQL-ZJUUUORDSA-N 1 0 397.273 2.229 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)cc(C)c1Cl ZINC000883623530 653848371 /nfs/dbraw/zinc/84/83/71/653848371.db2.gz XXLQNDZTUAREHN-UHFFFAOYSA-N 1 0 378.885 2.395 20 0 GEADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1nn2c(c1Br)CCC2 ZINC000895812244 653851006 /nfs/dbraw/zinc/85/10/06/653851006.db2.gz MOANMMOPNZFGOT-AWEZNQCLSA-N 1 0 391.313 2.495 20 0 GEADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1Br ZINC000895846757 653852353 /nfs/dbraw/zinc/85/23/53/653852353.db2.gz XKKBVFKKBHRYFM-OCCSQVGLSA-N 1 0 389.315 2.097 20 0 GEADRO O=C(Cc1noc([C@H]2C[C@@]23CC[NH2+]C3)n1)Nc1ccccc1Br ZINC000823075548 653852483 /nfs/dbraw/zinc/85/24/83/653852483.db2.gz SHPPQQMOYJADDH-QLJPJBMISA-N 1 0 377.242 2.480 20 0 GEADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)C1C[NH+](C2CCOCC2)C1 ZINC000895855132 653852866 /nfs/dbraw/zinc/85/28/66/653852866.db2.gz NTLNRDPDIJPADD-INIZCTEOSA-N 1 0 395.297 2.500 20 0 GEADRO Clc1nc2sccn2c1-c1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000823079338 653852807 /nfs/dbraw/zinc/85/28/07/653852807.db2.gz GVSDFQBIMWMNMS-QMMMGPOBSA-N 1 0 376.833 2.282 20 0 GEADRO C[C@H]([NH3+])CCc1nc(-c2cccn3c(I)cnc23)no1 ZINC000823114338 653853781 /nfs/dbraw/zinc/85/37/81/653853781.db2.gz AHUXFKREEORIIE-QMMMGPOBSA-N 1 0 383.193 2.269 20 0 GEADRO C[C@@H]([NH3+])CCc1nc(-c2cccn3c(I)cnc23)no1 ZINC000823114336 653853836 /nfs/dbraw/zinc/85/38/36/653853836.db2.gz AHUXFKREEORIIE-MRVPVSSYSA-N 1 0 383.193 2.269 20 0 GEADRO C[C@H]1[NH2+]CC[C@H]1c1nc(-c2cccn3c(I)cnc23)no1 ZINC000823116632 653854379 /nfs/dbraw/zinc/85/43/79/653854379.db2.gz XNLFNUKGFYFQSK-RKDXNWHRSA-N 1 0 395.204 2.454 20 0 GEADRO Ic1cnc2c(-c3noc(C[C@H]4CC[NH2+]C4)n3)cccn12 ZINC000823116835 653854454 /nfs/dbraw/zinc/85/44/54/653854454.db2.gz ZTUWEYDDXBQITH-SECBINFHSA-N 1 0 395.204 2.141 20 0 GEADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792906888 653855583 /nfs/dbraw/zinc/85/55/83/653855583.db2.gz OQEKMFDFEXIEIW-FDCLKBLSSA-N 1 0 393.336 2.482 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)nc1Br ZINC000792952995 653856958 /nfs/dbraw/zinc/85/69/58/653856958.db2.gz LYLHJVJYZCXUEG-STQMWFEESA-N 1 0 397.317 2.470 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[N@@H+]1CCCC[C@H]1C ZINC000792952974 653857104 /nfs/dbraw/zinc/85/71/04/653857104.db2.gz LQYMGRWGYILHMK-VXGBXAGGSA-N 1 0 383.290 2.162 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)nc1Br ZINC000792967573 653858187 /nfs/dbraw/zinc/85/81/87/653858187.db2.gz BMSWYDOYZGGYLE-LBPRGKRZSA-N 1 0 397.317 2.329 20 0 GEADRO C[C@@H](C[NH+]1CCCC1)OC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000845672301 653858372 /nfs/dbraw/zinc/85/83/72/653858372.db2.gz NYNOQQPHXCJIOB-AWEZNQCLSA-N 1 0 386.539 2.103 20 0 GEADRO COC[C@]1(c2nc(-c3cn4ccc(Br)cc4n3)no2)CC[NH2+]C1 ZINC000823230829 653858847 /nfs/dbraw/zinc/85/88/47/653858847.db2.gz OVNSJOXNIFVHKG-HNNXBMFYSA-N 1 0 378.230 2.024 20 0 GEADRO COCC1(c2nc(-c3cn4ccc(Br)cc4n3)no2)CC[NH2+]CC1 ZINC000823230397 653858901 /nfs/dbraw/zinc/85/89/01/653858901.db2.gz JRFIMXAMSXAKHZ-UHFFFAOYSA-N 1 0 392.257 2.414 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000792986910 653859309 /nfs/dbraw/zinc/85/93/09/653859309.db2.gz FBDGIUODSNKUPF-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO C[C@H](CNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000792989004 653859493 /nfs/dbraw/zinc/85/94/93/653859493.db2.gz YPYMIQYWSJEOBJ-IUODEOHRSA-N 1 0 397.317 2.149 20 0 GEADRO C[C@@H](CNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000792989006 653859708 /nfs/dbraw/zinc/85/97/08/653859708.db2.gz YPYMIQYWSJEOBJ-WFASDCNBSA-N 1 0 397.317 2.149 20 0 GEADRO CC[NH2+]Cc1ccccc1NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000884014495 653860297 /nfs/dbraw/zinc/86/02/97/653860297.db2.gz NWJTXQKOQLIBKO-LLVKDONJSA-N 1 0 378.523 2.400 20 0 GEADRO CC[C@H](Sc1nc(CC(=O)Nc2cccc(C[NH2+]C)c2)cs1)C(N)=O ZINC000884014290 653860395 /nfs/dbraw/zinc/86/03/95/653860395.db2.gz HFPKDFSOLSDCRU-AWEZNQCLSA-N 1 0 378.523 2.400 20 0 GEADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1nn2c(c1Br)CCC2 ZINC000884010823 653860461 /nfs/dbraw/zinc/86/04/61/653860461.db2.gz MOYCDGBEXJCEBN-LLVKDONJSA-N 1 0 379.258 2.030 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[C@H]1[NH3+] ZINC000884034167 653860881 /nfs/dbraw/zinc/86/08/81/653860881.db2.gz ZFWMFNNVALPZSN-MWLCHTKSSA-N 1 0 398.692 2.493 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)n2)C[C@@H]1C ZINC000793006358 653861093 /nfs/dbraw/zinc/86/10/93/653861093.db2.gz VMIZQLUFNHHWKX-NWDGAFQWSA-N 1 0 383.290 2.114 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc1Br ZINC000793005122 653861123 /nfs/dbraw/zinc/86/11/23/653861123.db2.gz LATHMOBRAAETNO-STQMWFEESA-N 1 0 395.301 2.034 20 0 GEADRO Cc1c(-c2nc(N3CC[NH2+]CC3)no2)cnn1-c1cccc(Br)c1 ZINC000823314917 653862282 /nfs/dbraw/zinc/86/22/82/653862282.db2.gz HXORXILTRJHRSZ-UHFFFAOYSA-N 1 0 389.257 2.403 20 0 GEADRO Cc1cccc(OC[C@@H](O)CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000884104060 653863989 /nfs/dbraw/zinc/86/39/89/653863989.db2.gz BJGMEPZGMURGGS-RDJZCZTQSA-N 1 0 393.281 2.313 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884117862 653864531 /nfs/dbraw/zinc/86/45/31/653864531.db2.gz OEZSIEMNADIXHH-SNVBAGLBSA-N 1 0 380.388 2.173 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000884122422 653864879 /nfs/dbraw/zinc/86/48/79/653864879.db2.gz QGIXWBWRUHMQHM-KBPBESRZSA-N 1 0 378.416 2.131 20 0 GEADRO CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000884145432 653865552 /nfs/dbraw/zinc/86/55/52/653865552.db2.gz KCHLSHFSKPZYDX-FZMZJTMJSA-N 1 0 380.432 2.377 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)nc1Br ZINC000793069142 653865717 /nfs/dbraw/zinc/86/57/17/653865717.db2.gz XMKNPXSNYMAAON-UHFFFAOYSA-N 1 0 395.301 2.224 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000884182846 653867038 /nfs/dbraw/zinc/86/70/38/653867038.db2.gz VVKBBQITUKGABT-GFCCVEGCSA-N 1 0 380.208 2.155 20 0 GEADRO COCC[C@@H]([NH3+])C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000884226942 653868464 /nfs/dbraw/zinc/86/84/64/653868464.db2.gz DUROUSUEAGXIIG-CZUORRHYSA-N 1 0 384.318 2.018 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884244440 653869243 /nfs/dbraw/zinc/86/92/43/653869243.db2.gz FFBPGFYRGKNDLX-UWVGGRQHSA-N 1 0 398.692 2.493 20 0 GEADRO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000884280512 653870365 /nfs/dbraw/zinc/87/03/65/653870365.db2.gz MPZBJRDHNDNMKX-CRAIPNDOSA-N 1 0 393.281 2.133 20 0 GEADRO Cn1cc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(Br)n1 ZINC000884298516 653870824 /nfs/dbraw/zinc/87/08/24/653870824.db2.gz UREWNZYMIZDLFH-GXTWGEPZSA-N 1 0 395.276 2.445 20 0 GEADRO COC(=O)N1CCC([C@H](C)NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884318613 653871921 /nfs/dbraw/zinc/87/19/21/653871921.db2.gz ASNOHWMPTHWRIX-XHDPSFHLSA-N 1 0 398.301 2.432 20 0 GEADRO CC[N@H+](CCC1CCN(S(=O)(=O)N=[S@](C)(=O)CC)CC1)CC(C)C ZINC000867054583 653871880 /nfs/dbraw/zinc/87/18/80/653871880.db2.gz RNWOXCWTXUNSSM-HSZRJFAPSA-N 1 0 381.608 2.429 20 0 GEADRO [NH3+][C@H](C(=O)NCCNC(=O)NC1CCCCC1)c1ccc(Br)cc1 ZINC000884327798 653872337 /nfs/dbraw/zinc/87/23/37/653872337.db2.gz BPIRXWYLDBLNOM-HNNXBMFYSA-N 1 0 397.317 2.197 20 0 GEADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000845956257 653872589 /nfs/dbraw/zinc/87/25/89/653872589.db2.gz IMUZXEGDBBWENS-UHFFFAOYSA-N 1 0 389.949 2.298 20 0 GEADRO [NH3+][C@H](C(=O)N1CCOCC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000884332304 653872759 /nfs/dbraw/zinc/87/27/59/653872759.db2.gz JKZFVGRBPCLLMY-HNNXBMFYSA-N 1 0 383.286 2.105 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c(Br)c2)CCCO1 ZINC000884342324 653873522 /nfs/dbraw/zinc/87/35/22/653873522.db2.gz YBVWREPOZSHXSY-SNVBAGLBSA-N 1 0 379.201 2.240 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000884348038 653873853 /nfs/dbraw/zinc/87/38/53/653873853.db2.gz MJQAXHQGHGFYGP-LSDHHAIUSA-N 1 0 387.933 2.226 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000823630223 653874752 /nfs/dbraw/zinc/87/47/52/653874752.db2.gz FXRKBWQTJOIGOH-SMDDNHRTSA-N 1 0 397.269 2.379 20 0 GEADRO C[C@@H](CNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1)[NH+](C)C ZINC000884396537 653875496 /nfs/dbraw/zinc/87/54/96/653875496.db2.gz GHEXBSZISJYPQE-LBPRGKRZSA-N 1 0 380.290 2.384 20 0 GEADRO C[C@]1(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[NH2+]C1 ZINC000884422533 653876388 /nfs/dbraw/zinc/87/63/88/653876388.db2.gz ZFLAHAKBYZJIQU-AWEZNQCLSA-N 1 0 384.665 2.165 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@H]1CCCN1CC(F)F)c1ccc(Br)cc1 ZINC000884431940 653876554 /nfs/dbraw/zinc/87/65/54/653876554.db2.gz NFONKGQEIBSMHF-OCCSQVGLSA-N 1 0 376.245 2.295 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)c1c[nH]nc1I)C(C)(C)C ZINC000896409783 653878666 /nfs/dbraw/zinc/87/86/66/653878666.db2.gz MVFRGVYQCREGCY-JTQLQIEISA-N 1 0 378.258 2.111 20 0 GEADRO Brc1cnc2c(C[NH2+][C@@H]3CCCN4CCSC[C@H]34)cnn2c1 ZINC000896429976 653879750 /nfs/dbraw/zinc/87/97/50/653879750.db2.gz UYAVRLZJUKRIBV-ZIAGYGMSSA-N 1 0 382.331 2.161 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCSc3ccc(Cl)cc31)C2 ZINC000884523048 653880147 /nfs/dbraw/zinc/88/01/47/653880147.db2.gz OODRPLKDRYKACH-UCMVZMLTSA-N 1 0 379.913 2.061 20 0 GEADRO O=C(c1c[nH]nc1I)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000896494702 653881599 /nfs/dbraw/zinc/88/15/99/653881599.db2.gz BQHYQLONMDEUJX-NSHDSACASA-N 1 0 388.253 2.105 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000846025317 653882354 /nfs/dbraw/zinc/88/23/54/653882354.db2.gz ILDKACGSTGLYRH-KRWDZBQOSA-N 1 0 382.917 2.325 20 0 GEADRO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1C[N@H+](C)CCN1C ZINC000896529261 653882645 /nfs/dbraw/zinc/88/26/45/653882645.db2.gz XSPBNFSHATZILR-SDCWGCLJSA-N 1 0 392.341 2.085 20 0 GEADRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896537481 653883020 /nfs/dbraw/zinc/88/30/20/653883020.db2.gz ZKPSDLOTQJEMGX-KKBVYLPWSA-N 1 0 380.330 2.303 20 0 GEADRO C[C@H](NC(=O)C(C)(C)Oc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896534921 653883072 /nfs/dbraw/zinc/88/30/72/653883072.db2.gz XCFFLVISDBCIIM-XJKSGUPXSA-N 1 0 398.345 2.357 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896537484 653883080 /nfs/dbraw/zinc/88/30/80/653883080.db2.gz ZKPSDLOTQJEMGX-ZFVVBOAOSA-N 1 0 380.330 2.303 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C[C@@H]1C(F)(F)F ZINC000884666446 653883508 /nfs/dbraw/zinc/88/35/08/653883508.db2.gz DGMRTXIJSQHZBB-ONGXEEELSA-N 1 0 398.212 2.205 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000884666443 653883560 /nfs/dbraw/zinc/88/35/60/653883560.db2.gz DGMRTXIJSQHZBB-GXSJLCMTSA-N 1 0 398.212 2.205 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884716531 653885919 /nfs/dbraw/zinc/88/59/19/653885919.db2.gz BCJPTUJKFWSPSP-RNCFNFMXSA-N 1 0 377.794 2.089 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884723941 653886339 /nfs/dbraw/zinc/88/63/39/653886339.db2.gz DMQBRVIEHFDXOK-ONGXEEELSA-N 1 0 377.794 2.219 20 0 GEADRO C[C@H](NC(=O)c1c[nH]c2ccc(Br)cc12)[C@@H]1C[N@H+](C)CCN1C ZINC000896577108 653886536 /nfs/dbraw/zinc/88/65/36/653886536.db2.gz MUJIVIPTVSYVAF-ZBEGNZNMSA-N 1 0 379.302 2.295 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000884729958 653886635 /nfs/dbraw/zinc/88/66/35/653886635.db2.gz ZGAQXJXMTAYLBE-RYUDHWBXSA-N 1 0 392.297 2.461 20 0 GEADRO CC[C@](O)(CCC(F)(F)F)CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000896608424 653888075 /nfs/dbraw/zinc/88/80/75/653888075.db2.gz FFVJBOULQGVWOO-YDHLFZDLSA-N 1 0 383.480 2.349 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C/c3ccc(I)o3)C[C@@H]2C1 ZINC000793931658 653889143 /nfs/dbraw/zinc/88/91/43/653889143.db2.gz PDJJVDJFCRWWPB-CHULQOHASA-N 1 0 386.233 2.308 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000884824078 653890435 /nfs/dbraw/zinc/89/04/35/653890435.db2.gz QFHJOTSEPAMGFV-MEDUHNTESA-N 1 0 390.281 2.085 20 0 GEADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc3onc(Cl)c3c2)CCCO1 ZINC000867190532 653890721 /nfs/dbraw/zinc/89/07/21/653890721.db2.gz DNVBIGJDIBPPMP-GFCCVEGCSA-N 1 0 387.889 2.260 20 0 GEADRO Cc1ccc(Br)c2[nH]c(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc21 ZINC000824297999 653890854 /nfs/dbraw/zinc/89/08/54/653890854.db2.gz OBRBPFBDXLKLHW-NWDGAFQWSA-N 1 0 378.270 2.130 20 0 GEADRO CO[C@]1(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000896682692 653890872 /nfs/dbraw/zinc/89/08/72/653890872.db2.gz IVYZNZJXCOMUSJ-INIZCTEOSA-N 1 0 390.527 2.388 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000896682693 653890941 /nfs/dbraw/zinc/89/09/41/653890941.db2.gz IVYZNZJXCOMUSJ-MRXNPFEDSA-N 1 0 390.527 2.388 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000846204745 653891374 /nfs/dbraw/zinc/89/13/74/653891374.db2.gz BNHUCMORVRLTCA-UHFFFAOYSA-N 1 0 383.290 2.035 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)NCCC[C@@H]3CC3(Cl)Cl)C2)nn1 ZINC000846210339 653891408 /nfs/dbraw/zinc/89/14/08/653891408.db2.gz YUOUBEIIWHOIBZ-YPMHNXCESA-N 1 0 375.304 2.057 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)OCC[C@H]2CCCC[N@@H+]2C)cs1)C(N)=O ZINC000884855234 653891540 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2.007 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CCc3cc(Br)c(F)cc3C2)CC1 ZINC000884928254 653895910 /nfs/dbraw/zinc/89/59/10/653895910.db2.gz WPGZJNGYQKOXIH-UHFFFAOYSA-N 1 0 384.293 2.110 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)ccc1F ZINC000884950995 653897418 /nfs/dbraw/zinc/89/74/18/653897418.db2.gz VYMMSTILLAXVLZ-RYUDHWBXSA-N 1 0 377.279 2.493 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)c(Br)c1 ZINC000884951417 653897503 /nfs/dbraw/zinc/89/75/03/653897503.db2.gz CZYHDMGFHVWPIN-GHMZBOCLSA-N 1 0 377.279 2.493 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)c(Br)c1 ZINC000896870972 653897651 /nfs/dbraw/zinc/89/76/51/653897651.db2.gz VEXNMASOQHVYGE-UHFFFAOYSA-N 1 0 392.315 2.396 20 0 GEADRO Brc1cnc2c(C[NH2+]C[C@H]3CCC4(CCOCC4)O3)cnn2c1 ZINC000896920708 653899228 /nfs/dbraw/zinc/89/92/28/653899228.db2.gz JXFARRUCSGFYIO-CQSZACIVSA-N 1 0 381.274 2.310 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CCc2ncc(C(=O)OC)s2)C1 ZINC000896933069 653900093 /nfs/dbraw/zinc/90/00/93/653900093.db2.gz WUBPPCOBUMEDAY-QWRGUYRKSA-N 1 0 376.425 2.429 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCc2c(F)cc(Br)cc2C1 ZINC000896974172 653900931 /nfs/dbraw/zinc/90/09/31/653900931.db2.gz YJLIKQKRUJWQJS-CQSZACIVSA-N 1 0 383.261 2.194 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000884977483 653902705 /nfs/dbraw/zinc/90/27/05/653902705.db2.gz UQUJBFADKFQZOD-RNCFNFMXSA-N 1 0 377.794 2.171 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884977384 653902781 /nfs/dbraw/zinc/90/27/81/653902781.db2.gz QUNDRGLAFZYEOE-OAHLLOKOSA-N 1 0 377.794 2.172 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884977547 653902789 /nfs/dbraw/zinc/90/27/89/653902789.db2.gz WMQGSQDHVZGOND-MWLCHTKSSA-N 1 0 377.794 2.171 20 0 GEADRO Cc1cc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cnc1Cl ZINC000824649105 653904174 /nfs/dbraw/zinc/90/41/74/653904174.db2.gz BIWJBZITYTWVTB-UHFFFAOYSA-N 1 0 382.917 2.259 20 0 GEADRO CSc1nsc(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)n1 ZINC000846630820 653904862 /nfs/dbraw/zinc/90/48/62/653904862.db2.gz IKZQKMSXWASLGR-SECBINFHSA-N 1 0 375.520 2.044 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000846651182 653905877 /nfs/dbraw/zinc/90/58/77/653905877.db2.gz KOSIOKVPHWHYPN-UHFFFAOYSA-N 1 0 384.267 2.389 20 0 GEADRO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)nc1Br ZINC000794364279 653906076 /nfs/dbraw/zinc/90/60/76/653906076.db2.gz PFXHITXZSPMZPL-GFCCVEGCSA-N 1 0 385.306 2.461 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)/C=C/c1ccc(I)o1)C2 ZINC000846686886 653906298 /nfs/dbraw/zinc/90/62/98/653906298.db2.gz AFHUZWUHZJSIAI-RBZUQTFTSA-N 1 0 386.233 2.485 20 0 GEADRO Cn1cc(Br)cc1C[N@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000794399369 653907044 /nfs/dbraw/zinc/90/70/44/653907044.db2.gz QKTVLYFQXKDPKU-CQSZACIVSA-N 1 0 390.322 2.495 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000846718441 653907312 /nfs/dbraw/zinc/90/73/12/653907312.db2.gz OMKDVMYNBDDZCV-UHFFFAOYSA-N 1 0 376.682 2.338 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)C1 ZINC000846720326 653907351 /nfs/dbraw/zinc/90/73/51/653907351.db2.gz FOBUVBCFVJOCLJ-JLSDUUJJSA-N 1 0 375.916 2.436 20 0 GEADRO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824827190 653909644 /nfs/dbraw/zinc/90/96/44/653909644.db2.gz AXQXURVVMHZUII-MNOVXSKESA-N 1 0 378.826 2.479 20 0 GEADRO COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846778744 653910334 /nfs/dbraw/zinc/91/03/34/653910334.db2.gz JXNWTAXOPPSVJD-ROUUACIJSA-N 1 0 385.346 2.395 20 0 GEADRO O=c1[nH]c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)nc2ccc(Br)cc12 ZINC000897216097 653910749 /nfs/dbraw/zinc/91/07/49/653910749.db2.gz IVGLZJWKXSUOHJ-CABCVRRESA-N 1 0 393.285 2.133 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N1CC([NH+]2CCCC2)C1 ZINC000824865186 653910906 /nfs/dbraw/zinc/91/09/06/653910906.db2.gz CXUPOJQLSIBKBT-ZDUSSCGKSA-N 1 0 378.270 2.182 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ncnc2cc(Br)sc21 ZINC000897220249 653911251 /nfs/dbraw/zinc/91/12/51/653911251.db2.gz VDWPYAJFYFLUGG-RYUDHWBXSA-N 1 0 383.315 2.489 20 0 GEADRO C[C@]1(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C[NH+]2CCC1CC2 ZINC000824895075 653911307 /nfs/dbraw/zinc/91/13/07/653911307.db2.gz QBUQXJNETKHPKZ-KDOFPFPSSA-N 1 0 392.297 2.475 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000867309166 653913412 /nfs/dbraw/zinc/91/34/12/653913412.db2.gz QXLQFIGIHIPTAO-KCJUWKMLSA-N 1 0 382.711 2.211 20 0 GEADRO CCOC[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C(C)C ZINC000794602614 653913453 /nfs/dbraw/zinc/91/34/53/653913453.db2.gz WYWRFMAQQKXDKX-AWEZNQCLSA-N 1 0 378.441 2.272 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885153034 653914337 /nfs/dbraw/zinc/91/43/37/653914337.db2.gz DLCYOCPZZDKTOK-CQSZACIVSA-N 1 0 377.897 2.191 20 0 GEADRO C[C@@H]1CN(Cn2c(=O)oc3cccc(Br)c32)CC[N@@H+]1CC(C)(C)O ZINC000794643743 653915383 /nfs/dbraw/zinc/91/53/83/653915383.db2.gz UEQKIRCWOHNQNB-GFCCVEGCSA-N 1 0 398.301 2.092 20 0 GEADRO C[NH+]1CCC(CCNC(=O)c2csc(I)n2)CC1 ZINC000825077885 653916591 /nfs/dbraw/zinc/91/65/91/653916591.db2.gz LHTSYMJMFXECIG-UHFFFAOYSA-N 1 0 379.267 2.209 20 0 GEADRO O=C(N[C@@H](CCO)c1ccccc1Br)C1C[NH+](C2CCOCC2)C1 ZINC000897355793 653917634 /nfs/dbraw/zinc/91/76/34/653917634.db2.gz DXBGXFMQERCDIR-KRWDZBQOSA-N 1 0 397.313 2.100 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1csc(Br)n1 ZINC000825127838 653918545 /nfs/dbraw/zinc/91/85/45/653918545.db2.gz VKMCHQULHUUSPE-UHFFFAOYSA-N 1 0 376.320 2.336 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000897382944 653918870 /nfs/dbraw/zinc/91/88/70/653918870.db2.gz MABIQCONRHABPG-GFCCVEGCSA-N 1 0 383.261 2.194 20 0 GEADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000825188988 653920304 /nfs/dbraw/zinc/92/03/04/653920304.db2.gz VDMPERMMMWSUDM-CQSZACIVSA-N 1 0 393.285 2.052 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000794841086 653921851 /nfs/dbraw/zinc/92/18/51/653921851.db2.gz LHGFOIPDSZUBIV-QLFBSQMISA-N 1 0 388.555 2.499 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)ccc1Cl ZINC000825249931 653922624 /nfs/dbraw/zinc/92/26/24/653922624.db2.gz RJAFISJXTRWHJW-HNNXBMFYSA-N 1 0 387.933 2.241 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897481592 653923826 /nfs/dbraw/zinc/92/38/26/653923826.db2.gz UPMVGKDOMLXVQZ-KGLIPLIRSA-N 1 0 384.307 2.395 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000897482496 653923897 /nfs/dbraw/zinc/92/38/97/653923897.db2.gz UAESQYCDZMOZRE-ZDUSSCGKSA-N 1 0 384.322 2.476 20 0 GEADRO C[NH+](C)CCc1ccccc1NC(=O)c1c[nH]nc1I ZINC000897505320 653924864 /nfs/dbraw/zinc/92/48/64/653924864.db2.gz RLWUKNRUYBJOSO-UHFFFAOYSA-N 1 0 384.221 2.371 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000897519038 653925432 /nfs/dbraw/zinc/92/54/32/653925432.db2.gz NMLGLBWYNVTXIK-LBPRGKRZSA-N 1 0 382.306 2.402 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000897519037 653925562 /nfs/dbraw/zinc/92/55/62/653925562.db2.gz NMLGLBWYNVTXIK-GFCCVEGCSA-N 1 0 382.306 2.402 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)NCCCCC(F)(F)F ZINC000794976771 653925947 /nfs/dbraw/zinc/92/59/47/653925947.db2.gz JTKLWECHOYOAAM-ZDUSSCGKSA-N 1 0 382.496 2.126 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000825343793 653925979 /nfs/dbraw/zinc/92/59/79/653925979.db2.gz QFTYAVOEGFYZRW-ZOWXZIJZSA-N 1 0 376.316 2.428 20 0 GEADRO CN(C)Cc1cnc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)s1 ZINC000897540987 653926050 /nfs/dbraw/zinc/92/60/50/653926050.db2.gz HULNUHKLLULGKF-UHFFFAOYSA-N 1 0 377.501 2.497 20 0 GEADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897594172 653929134 /nfs/dbraw/zinc/92/91/34/653929134.db2.gz RZXLPRAFEOJFJE-GXTWGEPZSA-N 1 0 383.311 2.433 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2nc(F)ccc2Br)CC1 ZINC000847464091 653929677 /nfs/dbraw/zinc/92/96/77/653929677.db2.gz OXSSBDSQOZHWGX-ZDUSSCGKSA-N 1 0 399.308 2.225 20 0 GEADRO CC[NH+]1CCC(N(C)C(=O)c2csc(I)n2)CC1 ZINC000825536166 653932764 /nfs/dbraw/zinc/93/27/64/653932764.db2.gz GGCZYOGOXOHZKW-UHFFFAOYSA-N 1 0 379.267 2.304 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000847576714 653935729 /nfs/dbraw/zinc/93/57/29/653935729.db2.gz YJWNQZDCIYHCSS-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO C[C@H](NC(=O)Cn1ccc(Br)cc1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000867470827 653936927 /nfs/dbraw/zinc/93/69/27/653936927.db2.gz SSSFYZHJLRSSEO-UGSOOPFHSA-N 1 0 392.297 2.418 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000847608671 653937161 /nfs/dbraw/zinc/93/71/61/653937161.db2.gz WIPDPSDSZDTBDJ-JSGCOSHPSA-N 1 0 395.301 2.224 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000795181922 653937456 /nfs/dbraw/zinc/93/74/56/653937456.db2.gz QSBSUANTANALJL-UHFFFAOYSA-N 1 0 382.935 2.459 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)c1c(Br)nc2n1CCC2 ZINC000825720897 653938501 /nfs/dbraw/zinc/93/85/01/653938501.db2.gz IQSZCQALJSYKTF-UHFFFAOYSA-N 1 0 387.322 2.022 20 0 GEADRO CS[C@@H]1CN(C(=O)Cc2ccn(CC(F)(F)F)n2)C[C@H]1[NH+]1CCCC1 ZINC000897835573 653939837 /nfs/dbraw/zinc/93/98/37/653939837.db2.gz OJLBOWFFGOHXNR-ZIAGYGMSSA-N 1 0 376.448 2.026 20 0 GEADRO CN1CCN(Cc2cccc(F)c2I)CC[N@H+](C)CC1 ZINC000897860739 653940785 /nfs/dbraw/zinc/94/07/85/653940785.db2.gz YVMMRZBKZZQLQA-UHFFFAOYSA-N 1 0 391.272 2.110 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCc2c(F)ccc(Br)c2C1 ZINC000897870739 653941017 /nfs/dbraw/zinc/94/10/17/653941017.db2.gz YCAMQJJDFZDIIZ-GFCCVEGCSA-N 1 0 383.261 2.194 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1c[nH]nc1I ZINC000897875342 653941400 /nfs/dbraw/zinc/94/14/00/653941400.db2.gz DLACHYWHHJYICY-NSHDSACASA-N 1 0 390.269 2.255 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000897886330 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CCO[C@@H]1C[C@H]([NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)[C@H]1SC ZINC000897978528 653947571 /nfs/dbraw/zinc/94/75/71/653947571.db2.gz PDWBHWMPQBNQNI-WUHRBBMRSA-N 1 0 386.315 2.206 20 0 GEADRO CCN(C)c1ccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cn1 ZINC000897978622 653947625 /nfs/dbraw/zinc/94/76/25/653947625.db2.gz QJUQTKTZHYIULE-AWEZNQCLSA-N 1 0 390.285 2.348 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C1CC(CCO)C1 ZINC000898009975 653949894 /nfs/dbraw/zinc/94/98/94/653949894.db2.gz DAAJWLFVQIQNHP-XIKARTHZSA-N 1 0 385.302 2.213 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c(Br)nc3n2CCC3)C1 ZINC000826568197 653953256 /nfs/dbraw/zinc/95/32/56/653953256.db2.gz KFHKJWTWHNWJMD-CYBMUJFWSA-N 1 0 381.318 2.396 20 0 GEADRO C[C@H]1CN(CN2Cc3cccc(Br)c3C2=O)CC[N@@H+]1CC(C)(C)O ZINC000795445030 653953311 /nfs/dbraw/zinc/95/33/11/653953311.db2.gz AHPVQKRMCAFTHK-ZDUSSCGKSA-N 1 0 396.329 2.139 20 0 GEADRO O=C(c1cc(F)cc(Br)c1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000826569542 653953568 /nfs/dbraw/zinc/95/35/68/653953568.db2.gz JTFSWWPPABGRGP-GFCCVEGCSA-N 1 0 389.240 2.399 20 0 GEADRO O=C(COc1ccccc1Br)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898115848 653954199 /nfs/dbraw/zinc/95/41/99/653954199.db2.gz WJQLGEXZIAORGP-UHFFFAOYSA-N 1 0 397.313 2.181 20 0 GEADRO CCn1cc(Br)cc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898121017 653954369 /nfs/dbraw/zinc/95/43/69/653954369.db2.gz ILHAEHWPFCAWGP-UHFFFAOYSA-N 1 0 384.318 2.237 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c(Br)c1 ZINC000898152429 653955801 /nfs/dbraw/zinc/95/58/01/653955801.db2.gz IAPGEILMQGLITL-LBPRGKRZSA-N 1 0 379.258 2.322 20 0 GEADRO COC(=O)[C@@H]1[C@H](C[NH2+][C@@](C)(CO)c2cccc(Br)c2)C1(F)F ZINC000898168381 653956550 /nfs/dbraw/zinc/95/65/50/653956550.db2.gz CLWCVBLMXPKESD-OBJOEFQTSA-N 1 0 378.213 2.301 20 0 GEADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000848063993 653957806 /nfs/dbraw/zinc/95/78/06/653957806.db2.gz LGEKLPHACFIGCY-INIZCTEOSA-N 1 0 378.344 2.409 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc3c(Br)cnn3c2)CCO1 ZINC000826702356 653958002 /nfs/dbraw/zinc/95/80/02/653958002.db2.gz IFVJUUMFJNEJDQ-CQSZACIVSA-N 1 0 395.301 2.280 20 0 GEADRO Cn1ncc(S(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1C(F)(F)F ZINC000867600478 653959077 /nfs/dbraw/zinc/95/90/77/653959077.db2.gz LONAQLZWHNFBIE-UHFFFAOYSA-N 1 0 380.436 2.078 20 0 GEADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccc(Br)o1 ZINC000885848366 653959678 /nfs/dbraw/zinc/95/96/78/653959678.db2.gz SQJNUDWNKQRMQS-NSHDSACASA-N 1 0 386.271 2.337 20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cccc(Br)n1 ZINC000885848595 653959697 /nfs/dbraw/zinc/95/96/97/653959697.db2.gz XZRUSGCLXKOKGG-GFCCVEGCSA-N 1 0 397.298 2.139 20 0 GEADRO CN(C)c1nc2sc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCOCC3)cc2s1 ZINC000885866017 653960274 /nfs/dbraw/zinc/96/02/74/653960274.db2.gz QKTDDWLJADFLEB-LBPRGKRZSA-N 1 0 380.539 2.407 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@H]1COc2ccc(Br)cc21 ZINC000885876431 653961270 /nfs/dbraw/zinc/96/12/70/653961270.db2.gz QVIGIDNELHGWIZ-ZBFHGGJFSA-N 1 0 395.297 2.295 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)C1 ZINC000898289867 653961583 /nfs/dbraw/zinc/96/15/83/653961583.db2.gz IIPMUZAODZYQKU-WMLDXEAASA-N 1 0 386.539 2.036 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000885882676 653961553 /nfs/dbraw/zinc/96/15/53/653961553.db2.gz JUXYZVURRSSKHL-RDJZCZTQSA-N 1 0 395.297 2.122 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)CC(C)(C)C[NH+](C)C ZINC000898310806 653962064 /nfs/dbraw/zinc/96/20/64/653962064.db2.gz ZTCBBEOWCJXNCN-CQSZACIVSA-N 1 0 390.981 2.224 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1nc(Br)c2ccccn21 ZINC000885896192 653962595 /nfs/dbraw/zinc/96/25/95/653962595.db2.gz WIOSJOZDZJIFEL-CYBMUJFWSA-N 1 0 393.285 2.080 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000795706784 653963455 /nfs/dbraw/zinc/96/34/55/653963455.db2.gz LZHCGFOMFBNDTM-GXTWGEPZSA-N 1 0 392.297 2.495 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1nc(Br)nc1Br ZINC000795707909 653963734 /nfs/dbraw/zinc/96/37/34/653963734.db2.gz QJJISZUBLWGMJY-UWVGGRQHSA-N 1 0 393.127 2.319 20 0 GEADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]C3CCN(c4nccs4)CC3)C2)c1Cl ZINC000898366418 653964944 /nfs/dbraw/zinc/96/49/44/653964944.db2.gz BGHWJLOVQITWSO-GFCCVEGCSA-N 1 0 380.905 2.129 20 0 GEADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc(-n4ccnc4)cs3)C2)c1Cl ZINC000898367082 653965030 /nfs/dbraw/zinc/96/50/30/653965030.db2.gz LGJMKLZQJHQBKJ-LLVKDONJSA-N 1 0 376.873 2.451 20 0 GEADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cccnc3Br)C2)c1Cl ZINC000898370663 653965326 /nfs/dbraw/zinc/96/53/26/653965326.db2.gz AFRQXXSLXCSYLN-SNVBAGLBSA-N 1 0 384.665 2.362 20 0 GEADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000848223474 653965654 /nfs/dbraw/zinc/96/56/54/653965654.db2.gz RJTQIZHKTFMOJC-INIZCTEOSA-N 1 0 395.301 2.013 20 0 GEADRO COc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(F)c1OC ZINC000886040286 653965729 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GEADRO COc1cc(I)ccc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000868519496 654041244 /nfs/dbraw/zinc/04/12/44/654041244.db2.gz BVTBJMGLFYBIIW-MFKMUULPSA-N 1 0 386.233 2.076 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000868530982 654041898 /nfs/dbraw/zinc/04/18/98/654041898.db2.gz PIGCTHNIGHJGQM-UHFFFAOYSA-N 1 0 387.571 2.461 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000828569659 654042434 /nfs/dbraw/zinc/04/24/34/654042434.db2.gz QRAOEODNCZTSMQ-CGTJXYLNSA-N 1 0 379.298 2.314 20 0 GEADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Br)nc2)cn1 ZINC000849565489 654046146 /nfs/dbraw/zinc/04/61/46/654046146.db2.gz UAKQSCAPAVETRN-KBPBESRZSA-N 1 0 378.274 2.252 20 0 GEADRO COc1ccc(Br)cc1[C@H](N)c1nc(CC2CC[NH2+]CC2)no1 ZINC000900017913 654046856 /nfs/dbraw/zinc/04/68/56/654046856.db2.gz ZLSCUTXWPHNHEE-HNNXBMFYSA-N 1 0 381.274 2.431 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000828724709 654047238 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O=C([C@H](O)c1cccc(Br)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000900419748 654062893 /nfs/dbraw/zinc/06/28/93/654062893.db2.gz XQMWYQWXWJHRHB-DLBZAZTESA-N 1 0 397.313 2.196 20 0 GEADRO CC(C)n1ncc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1I ZINC000868927260 654063042 /nfs/dbraw/zinc/06/30/42/654063042.db2.gz QIJQVNHXXXYACA-NSHDSACASA-N 1 0 390.269 2.235 20 0 GEADRO NC(=O)[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1cccc(Br)c1 ZINC000900431828 654063475 /nfs/dbraw/zinc/06/34/75/654063475.db2.gz LJANGTTURPHIIO-RBSFLKMASA-N 1 0 380.286 2.109 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000900464208 654065595 /nfs/dbraw/zinc/06/55/95/654065595.db2.gz IVKDJMWUUFWANG-WMZOPIPTSA-N 1 0 397.313 2.196 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900465125 654066016 /nfs/dbraw/zinc/06/60/16/654066016.db2.gz OTESGWHSWRERJR-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO C[NH+]1CCC(NCc2cn(CCOc3cccc(Br)c3)nn2)CC1 ZINC000900495851 654067199 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CCOC(=O)[C@@H]1C[C@H]1Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000900631727 654073768 /nfs/dbraw/zinc/07/37/68/654073768.db2.gz BQJQMCIDUKEHTK-NJZAAPMLSA-N 1 0 379.258 2.288 20 0 GEADRO [NH3+][C@H](c1cn(Cc2cnn(CCF)c2)nn1)c1ccc(Br)cc1 ZINC000900640492 654073969 /nfs/dbraw/zinc/07/39/69/654073969.db2.gz XNANUXYSLDUHAN-HNNXBMFYSA-N 1 0 379.237 2.303 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2cnn(CCF)c2)nn1)c1ccc(Br)cc1 ZINC000900640493 654074115 /nfs/dbraw/zinc/07/41/15/654074115.db2.gz XNANUXYSLDUHAN-OAHLLOKOSA-N 1 0 379.237 2.303 20 0 GEADRO COCCOc1ccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1Br ZINC000888293400 654074942 /nfs/dbraw/zinc/07/49/42/654074942.db2.gz SYSCPXZSWFTXKP-AWEZNQCLSA-N 1 0 399.285 2.134 20 0 GEADRO COCCOc1ccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1Br ZINC000888293401 654075022 /nfs/dbraw/zinc/07/50/22/654075022.db2.gz SYSCPXZSWFTXKP-CQSZACIVSA-N 1 0 399.285 2.134 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1SCCS1 ZINC000850400686 654075741 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COc1c(Br)ccc(C)c1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900803951 654081642 /nfs/dbraw/zinc/08/16/42/654081642.db2.gz JZQJUPNASCFNON-OCCSQVGLSA-N 1 0 384.318 2.130 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000900822819 654083154 /nfs/dbraw/zinc/08/31/54/654083154.db2.gz SDNYYEYUIOYFOD-FZMZJTMJSA-N 1 0 387.311 2.307 20 0 GEADRO CCN(C(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1)[C@H]1CC[N@H+](C)C1 ZINC000850583219 654083627 /nfs/dbraw/zinc/08/36/27/654083627.db2.gz JNMROJQCSZZYSX-JTQLQIEISA-N 1 0 378.782 2.245 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cccc4scnc43)CC2)C1 ZINC000850588433 654083898 /nfs/dbraw/zinc/08/38/98/654083898.db2.gz GLKJUBGYVVZRGY-KBPBESRZSA-N 1 0 381.523 2.203 20 0 GEADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000850590168 654084473 /nfs/dbraw/zinc/08/44/73/654084473.db2.gz YAJABFOUMAUOOO-GFCCVEGCSA-N 1 0 384.889 2.277 20 0 GEADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCCC2SCCS2)CC1 ZINC000850612144 654086826 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GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000901148697 654111849 /nfs/dbraw/zinc/11/18/49/654111849.db2.gz FWOMCMUNYZWXOZ-HFAKWTLXSA-N 1 0 377.432 2.323 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CC(C)(C)CC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000901211079 654114927 /nfs/dbraw/zinc/11/49/27/654114927.db2.gz BWJZUHFLGRDDHH-CQSZACIVSA-N 1 0 382.517 2.415 20 0 GEADRO CC[NH+](CC)CCN(C(=O)Cc1sc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000901214094 654115320 /nfs/dbraw/zinc/11/53/20/654115320.db2.gz ZXUVUDRGCDTBRR-INIZCTEOSA-N 1 0 386.583 2.265 20 0 GEADRO Cn1cc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c(Br)n1 ZINC000901251180 654116708 /nfs/dbraw/zinc/11/67/08/654116708.db2.gz DKRZXYATUQOPML-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000830434195 654117816 /nfs/dbraw/zinc/11/78/16/654117816.db2.gz HZGVMVJUQMDXQV-SECBINFHSA-N 1 0 382.711 2.118 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888982221 654118090 /nfs/dbraw/zinc/11/80/90/654118090.db2.gz KBXAXUITKVVXCQ-UHFFFAOYSA-N 1 0 384.318 2.086 20 0 GEADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888984864 654118656 /nfs/dbraw/zinc/11/86/56/654118656.db2.gz BHTQYVKXGQHHOM-UHFFFAOYSA-N 1 0 396.504 2.312 20 0 GEADRO CN1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC[N@H+](C)CC1 ZINC000888989695 654119137 /nfs/dbraw/zinc/11/91/37/654119137.db2.gz VZWGCEMIIHGTDX-UHFFFAOYSA-N 1 0 388.737 2.351 20 0 GEADRO C[N@H+](C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000830462583 654119680 /nfs/dbraw/zinc/11/96/80/654119680.db2.gz YWWNAXMBFCXNCW-IUODEOHRSA-N 1 0 376.856 2.330 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)COC1CC[NH+](C)CC1 ZINC000901354346 654122187 /nfs/dbraw/zinc/12/21/87/654122187.db2.gz AVEDMQMBCHNRAV-UHFFFAOYSA-N 1 0 385.258 2.285 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869776888 654122436 /nfs/dbraw/zinc/12/24/36/654122436.db2.gz ZYAXGVBBVUANSN-LBPRGKRZSA-N 1 0 385.302 2.341 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000830525126 654123954 /nfs/dbraw/zinc/12/39/54/654123954.db2.gz UFHIHGBHBNICIJ-ABAIWWIYSA-N 1 0 375.296 2.330 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000889157786 654126581 /nfs/dbraw/zinc/12/65/81/654126581.db2.gz GJZSOLXSXMNHCV-HFBAOOFYSA-N 1 0 395.297 2.329 20 0 GEADRO Cc1nc(Br)sc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000830588862 654128498 /nfs/dbraw/zinc/12/84/98/654128498.db2.gz OKIQACNIWDOSHT-LLVKDONJSA-N 1 0 376.320 2.181 20 0 GEADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCCC[NH+]1CCCC1 ZINC000800098156 654129242 /nfs/dbraw/zinc/12/92/42/654129242.db2.gz BWSUTYVDVQRMHW-UHFFFAOYSA-N 1 0 395.253 2.074 20 0 GEADRO CC[NH+](CC)CCCOC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000800097482 654129362 /nfs/dbraw/zinc/12/93/62/654129362.db2.gz WTRIOIDYYIRJGQ-UHFFFAOYSA-N 1 0 376.906 2.479 20 0 GEADRO CC[NH+](CC)CCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000800110447 654130166 /nfs/dbraw/zinc/13/01/66/654130166.db2.gz JQUHJYQNGKGCDQ-ZDUSSCGKSA-N 1 0 376.906 2.282 20 0 GEADRO CC[NH+](CC)CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000800120156 654130462 /nfs/dbraw/zinc/13/04/62/654130462.db2.gz MQTGRXOGZHDBLS-UHFFFAOYSA-N 1 0 392.905 2.411 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000917670824 654130767 /nfs/dbraw/zinc/13/07/67/654130767.db2.gz YWYSPHSTDLNFNX-CVEARBPZSA-N 1 0 393.336 2.432 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000901606443 654134226 /nfs/dbraw/zinc/13/42/26/654134226.db2.gz FLPZMMGRBMBTMS-GJZGRUSLSA-N 1 0 383.286 2.293 20 0 GEADRO CCCCn1nc(C)c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1Cl ZINC000800310097 654140444 /nfs/dbraw/zinc/14/04/44/654140444.db2.gz RUJPLMRDLGPYEH-HIFRSBDPSA-N 1 0 376.954 2.453 20 0 GEADRO O=C1[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)CCN1c1ccc(F)cc1 ZINC000901727151 654143653 /nfs/dbraw/zinc/14/36/53/654143653.db2.gz CVRNYIZUPXYIPI-GXTWGEPZSA-N 1 0 393.260 2.495 20 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ZINC000918580419 654154819 /nfs/dbraw/zinc/15/48/19/654154819.db2.gz FIVQUVIDFVAXDL-XJKSGUPXSA-N 1 0 390.285 2.386 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)cn1 ZINC000889646900 654155471 /nfs/dbraw/zinc/15/54/71/654155471.db2.gz RUODMJKCHYHOMB-UHFFFAOYSA-N 1 0 395.236 2.475 20 0 GEADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CSCCS3)c2)CC1 ZINC000918643596 654157248 /nfs/dbraw/zinc/15/72/48/654157248.db2.gz UGGBUOMZBZULTM-INIZCTEOSA-N 1 0 379.551 2.171 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(C[NH+](C)C)CC2)ccc1Cl ZINC000918695400 654158588 /nfs/dbraw/zinc/15/85/88/654158588.db2.gz ABQTYTPIAXAQLQ-UHFFFAOYSA-N 1 0 387.933 2.004 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(CCNC(C)=O)Cc1ccc(C)s1 ZINC000800819560 654158699 /nfs/dbraw/zinc/15/86/99/654158699.db2.gz PLTHMEOCIDSZIY-INIZCTEOSA-N 1 0 382.599 2.353 20 0 GEADRO O=C(NCc1ncc(Br)cn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000889717601 654162359 /nfs/dbraw/zinc/16/23/59/654162359.db2.gz MCTXVNISIBSVNB-AWEZNQCLSA-N 1 0 390.285 2.163 20 0 GEADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCc2[nH+]ccc(N)c2C1 ZINC000918894895 654165421 /nfs/dbraw/zinc/16/54/21/654165421.db2.gz YIGSQQUXAQDOKN-UHFFFAOYSA-N 1 0 382.283 2.482 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000918947944 654166187 /nfs/dbraw/zinc/16/61/87/654166187.db2.gz UPSKBOKOESRKKT-OAHLLOKOSA-N 1 0 398.859 2.019 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C1 ZINC000918957792 654166702 /nfs/dbraw/zinc/16/67/02/654166702.db2.gz XPYKUEGWGRBTSM-OAHLLOKOSA-N 1 0 389.930 2.027 20 0 GEADRO O=C(c1nc(Br)sc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889750979 654167096 /nfs/dbraw/zinc/16/70/96/654167096.db2.gz RGKLSRVAEWDSMU-BDAKNGLRSA-N 1 0 394.722 2.230 20 0 GEADRO CC(C)(C)n1ncc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000889752157 654167676 /nfs/dbraw/zinc/16/76/76/654167676.db2.gz WKPKYDMDPPSAMN-KBPBESRZSA-N 1 0 399.333 2.072 20 0 GEADRO C[NH+](C)CCOc1cc(NC(=O)c2nn3c(c2Br)CCC3)ccn1 ZINC000889754046 654167766 /nfs/dbraw/zinc/16/77/66/654167766.db2.gz JYPXSDZCGVFEMH-UHFFFAOYSA-N 1 0 394.273 2.180 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755043 654168230 /nfs/dbraw/zinc/16/82/30/654168230.db2.gz CVXPKJILYIQETL-JKSUJKDBSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889755039 654168258 /nfs/dbraw/zinc/16/82/58/654168258.db2.gz CVXPKJILYIQETL-HOTGVXAUSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(CCOc1ccccc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889774850 654171657 /nfs/dbraw/zinc/17/16/57/654171657.db2.gz RNLVNXRCPBXZNP-HOTGVXAUSA-N 1 0 397.313 2.276 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000851720413 654172202 /nfs/dbraw/zinc/17/22/02/654172202.db2.gz JAFJNSTWIGZQTE-MRXNPFEDSA-N 1 0 376.434 2.295 20 0 GEADRO O=C(CSc1nc2ccccc2s1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889778653 654172492 /nfs/dbraw/zinc/17/24/92/654172492.db2.gz AUQMRANPQGYEAX-HUUCEWRRSA-N 1 0 377.535 2.446 20 0 GEADRO [NH3+]CCCCCCNC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000831267064 654175115 /nfs/dbraw/zinc/17/51/15/654175115.db2.gz HLHQZUPULWMXSB-OAHLLOKOSA-N 1 0 397.317 2.151 20 0 GEADRO CC[NH+]1CCC(NC(=O)Cn2ccc3cc(Br)ccc3c2=O)CC1 ZINC000902412578 654177017 /nfs/dbraw/zinc/17/70/17/654177017.db2.gz AYOLMPHPYNTFPW-UHFFFAOYSA-N 1 0 392.297 2.365 20 0 GEADRO CC[NH+]1CCC(NC(=O)Cn2ccc3ccc(Br)cc3c2=O)CC1 ZINC000902454894 654178641 /nfs/dbraw/zinc/17/86/41/654178641.db2.gz HARVOYFVWBMOFW-UHFFFAOYSA-N 1 0 392.297 2.365 20 0 GEADRO CC[C@H](C[NH+](C)C)OC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000870555043 654181673 /nfs/dbraw/zinc/18/16/73/654181673.db2.gz PIDPJALOCHWUIY-GFCCVEGCSA-N 1 0 382.258 2.042 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000870573722 654181775 /nfs/dbraw/zinc/18/17/75/654181775.db2.gz OXZPODXEEMJQDU-UHFFFAOYSA-N 1 0 391.896 2.073 20 0 GEADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)NC1(c2ncc(Br)cn2)CCC1 ZINC000919627079 654187259 /nfs/dbraw/zinc/18/72/59/654187259.db2.gz FJFPCPPDFBBYAC-CQSZACIVSA-N 1 0 394.317 2.402 20 0 GEADRO O=C(Nc1cccc(F)c1Br)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000889954864 654189139 /nfs/dbraw/zinc/18/91/39/654189139.db2.gz JPLYBJALQPGKAW-LBPRGKRZSA-N 1 0 398.276 2.471 20 0 GEADRO [NH3+]C1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CCC1 ZINC000831550588 654191170 /nfs/dbraw/zinc/19/11/70/654191170.db2.gz YLOHQEDFARSFHX-UHFFFAOYSA-N 1 0 385.917 2.126 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cnc1Cl ZINC000851879949 654198822 /nfs/dbraw/zinc/19/88/22/654198822.db2.gz NYVVSADXYAIAKF-AWEZNQCLSA-N 1 0 387.933 2.307 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CC[NH+](CCCCO)CC1 ZINC000801524467 654199975 /nfs/dbraw/zinc/19/99/75/654199975.db2.gz HTPNVAKIOCYSRG-UHFFFAOYSA-N 1 0 385.302 2.126 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(Br)c1 ZINC000870854577 654200367 /nfs/dbraw/zinc/20/03/67/654200367.db2.gz MEIBPOJKJQQRAW-HNNXBMFYSA-N 1 0 392.253 2.027 20 0 GEADRO CCO[C@H](CNC(=O)c1cc2cc(Br)cnc2n1C)C[NH+](C)C ZINC000831696414 654200984 /nfs/dbraw/zinc/20/09/84/654200984.db2.gz XKAZHJDACNESRZ-CYBMUJFWSA-N 1 0 383.290 2.032 20 0 GEADRO CC(C)C(=O)N1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870863420 654201012 /nfs/dbraw/zinc/20/10/12/654201012.db2.gz GCZYQRXEQKZZFK-OAHLLOKOSA-N 1 0 382.302 2.212 20 0 GEADRO CCO[C@H](CNC(=O)c1c2ccc(Br)cc2nn1C)C[NH+](C)C ZINC000831707761 654201379 /nfs/dbraw/zinc/20/13/79/654201379.db2.gz LIVYINYWWNNAIT-GFCCVEGCSA-N 1 0 383.290 2.032 20 0 GEADRO O=C(CC[NH2+]CC1CC1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000870877949 654201982 /nfs/dbraw/zinc/20/19/82/654201982.db2.gz UZGYDCLTVKUOMA-UHFFFAOYSA-N 1 0 394.313 2.123 20 0 GEADRO CC(C)C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)C1CCOCC1 ZINC000902886253 654202206 /nfs/dbraw/zinc/20/22/06/654202206.db2.gz MNSKZMPBZXTASE-CVEARBPZSA-N 1 0 375.556 2.314 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cn(C)nc2Br)c1 ZINC000890189586 654202216 /nfs/dbraw/zinc/20/22/16/654202216.db2.gz NEEIYSUGEVKQDI-UHFFFAOYSA-N 1 0 395.301 2.395 20 0 GEADRO CC(C)N1C(=S)N=NC1CNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870884009 654202395 /nfs/dbraw/zinc/20/23/95/654202395.db2.gz OJQAYLDWSMGAQU-GFCCVEGCSA-N 1 0 384.303 2.226 20 0 GEADRO CCO[C@H](CNC(=O)c1c(F)cccc1I)C[NH+](C)C ZINC000831737179 654204967 /nfs/dbraw/zinc/20/49/67/654204967.db2.gz DXUXEJHUAMCVBX-SNVBAGLBSA-N 1 0 394.228 2.127 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1cccc(NS(C)(=O)=O)c1 ZINC000851921487 654205921 /nfs/dbraw/zinc/20/59/21/654205921.db2.gz SLIWWOVQACADDK-LLVKDONJSA-N 1 0 382.873 2.396 20 0 GEADRO Cn1cc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)cc(Br)c1=O ZINC000870904694 654206707 /nfs/dbraw/zinc/20/67/07/654206707.db2.gz VVEZAYAGPQMUNS-UHFFFAOYSA-N 1 0 397.298 2.324 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)c1cccc(Br)c1 ZINC000870913839 654207374 /nfs/dbraw/zinc/20/73/74/654207374.db2.gz GLEFLGSCAKOXHG-INIZCTEOSA-N 1 0 394.313 2.228 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC000920282576 654209117 /nfs/dbraw/zinc/20/91/17/654209117.db2.gz RRCOLMQSMICTFF-TXCZRRACSA-N 1 0 390.908 2.237 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)c1cnn(C(C)C)c1I ZINC000870938346 654209771 /nfs/dbraw/zinc/20/97/71/654209771.db2.gz MGHICWGAIURGPR-JTQLQIEISA-N 1 0 378.258 2.316 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCc3cccs3)C2)[C@H]1C(C)C ZINC000920304536 654209906 /nfs/dbraw/zinc/20/99/06/654209906.db2.gz ZTJBDASYIJIWDG-TVFCKZIOSA-N 1 0 386.583 2.080 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2Br)CCO1 ZINC000870940499 654210048 /nfs/dbraw/zinc/21/00/48/654210048.db2.gz JRRIIDKAYJIULM-VIFPVBQESA-N 1 0 383.164 2.147 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCCC(C)(F)F)C2)[C@@H]1C(C)C ZINC000920311347 654210251 /nfs/dbraw/zinc/21/02/51/654210251.db2.gz VTJUJEJTQPQNDR-PNBKFKSVSA-N 1 0 382.517 2.211 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851976873 654210334 /nfs/dbraw/zinc/21/03/34/654210334.db2.gz ZTVBKOBEOBCEFO-XIKOKIGWSA-N 1 0 393.281 2.481 20 0 GEADRO C[NH+](C)CCCNC(=S)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000920389087 654210951 /nfs/dbraw/zinc/21/09/51/654210951.db2.gz LEPPCXSLKJIRPE-LLVKDONJSA-N 1 0 380.341 2.149 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(OC(F)(F)F)cc1Br ZINC000870945286 654212371 /nfs/dbraw/zinc/21/23/71/654212371.db2.gz RIGJXANNGVMHRD-SNVBAGLBSA-N 1 0 397.191 2.456 20 0 GEADRO C[C@H](CNC(=O)CNC(=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000920458262 654213069 /nfs/dbraw/zinc/21/30/69/654213069.db2.gz FSQNPIKALMTNEF-CYBMUJFWSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903061092 654214309 /nfs/dbraw/zinc/21/43/09/654214309.db2.gz ABTIJEBIQADCKC-GHMZBOCLSA-N 1 0 385.429 2.065 20 0 GEADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](CCn2cnc(Br)n2)C1 ZINC000852054515 654215371 /nfs/dbraw/zinc/21/53/71/654215371.db2.gz YLVDSIAZFNBFPM-MRXNPFEDSA-N 1 0 383.265 2.107 20 0 GEADRO C[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CC[NH2+]CC1 ZINC000870987233 654215276 /nfs/dbraw/zinc/21/52/76/654215276.db2.gz IEEHFFYZCNWBJU-GXTWGEPZSA-N 1 0 394.313 2.306 20 0 GEADRO C[C@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000852088931 654217244 /nfs/dbraw/zinc/21/72/44/654217244.db2.gz IYAPWIJJDBUDAM-SHZVTRLKSA-N 1 0 379.448 2.117 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000852084920 654217254 /nfs/dbraw/zinc/21/72/54/654217254.db2.gz ZVUFQEHVLUFUQT-MWLCHTKSSA-N 1 0 382.195 2.474 20 0 GEADRO Cn1cc(Br)cc1-c1nnc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)n1C ZINC000871045014 654217455 /nfs/dbraw/zinc/21/74/55/654217455.db2.gz DFCXPSINLMBSOP-DGCLKSJQSA-N 1 0 379.306 2.114 20 0 GEADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903126367 654219332 /nfs/dbraw/zinc/21/93/32/654219332.db2.gz SWDQEKJWBPIKEY-HUBLWGQQSA-N 1 0 380.432 2.350 20 0 GEADRO C[N@H+](CCn1cnc(Br)n1)C1CCN(CCC(F)(F)F)CC1 ZINC000852148860 654221343 /nfs/dbraw/zinc/22/13/43/654221343.db2.gz HOONOTLNOFSEFP-UHFFFAOYSA-N 1 0 384.244 2.389 20 0 GEADRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903147584 654221559 /nfs/dbraw/zinc/22/15/59/654221559.db2.gz LJRUCAYMLYUCLZ-ABAIWWIYSA-N 1 0 381.416 2.418 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCO[C@]23CCOC3)cc1C(F)(F)F ZINC000903159452 654222686 /nfs/dbraw/zinc/22/26/86/654222686.db2.gz OVVZJZNFJBVHMV-GJZGRUSLSA-N 1 0 379.400 2.147 20 0 GEADRO CN(CCC[N@H+](C)CCn1cnc(Br)n1)C(=O)OC(C)(C)C ZINC000852175809 654223607 /nfs/dbraw/zinc/22/36/07/654223607.db2.gz LKEJINJZDGLYLH-UHFFFAOYSA-N 1 0 376.299 2.229 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000852187866 654223952 /nfs/dbraw/zinc/22/39/52/654223952.db2.gz QWMHALWAZAYAJW-JKSUJKDBSA-N 1 0 376.434 2.342 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)CCC2 ZINC000903175646 654224499 /nfs/dbraw/zinc/22/44/99/654224499.db2.gz IMAPHGGISIKMAV-KCPJHIHWSA-N 1 0 378.416 2.411 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)C[C@@H]([NH3+])C3CC3)C2=O)ccc1Br ZINC000832013398 654224775 /nfs/dbraw/zinc/22/47/75/654224775.db2.gz JVPXFGCGJDTXTL-HUUCEWRRSA-N 1 0 380.286 2.106 20 0 GEADRO O[C@H]1CCC[N@H+](CCn2cnc(Br)n2)[C@H]1CCc1ccccc1 ZINC000852207236 654225620 /nfs/dbraw/zinc/22/56/20/654225620.db2.gz CBUIQDLNWOHPFN-HOTGVXAUSA-N 1 0 379.302 2.499 20 0 GEADRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903193165 654225720 /nfs/dbraw/zinc/22/57/20/654225720.db2.gz SKSPSZMCTVXOGB-NSHDSACASA-N 1 0 387.445 2.456 20 0 GEADRO C[C@H]([NH2+]CCN1CCCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903228452 654229473 /nfs/dbraw/zinc/22/94/73/654229473.db2.gz QXFWIKFGDBILQD-ZDUSSCGKSA-N 1 0 380.432 2.353 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)[C@@H](C)c1nc2ccccc2s1 ZINC000903229774 654230296 /nfs/dbraw/zinc/23/02/96/654230296.db2.gz OZNCEYDDHVXYAF-VXGBXAGGSA-N 1 0 389.568 2.435 20 0 GEADRO C[N@H+](CCn1cnc(Br)n1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852304269 654231186 /nfs/dbraw/zinc/23/11/86/654231186.db2.gz DAAVJAZFGUPULU-UHFFFAOYSA-N 1 0 376.299 2.276 20 0 GEADRO CCOC(=O)[C@@]1(F)C[N@H+](C[C@H](O)P(=O)(OCC)OCC)CC12CCC2 ZINC000852317138 654231855 /nfs/dbraw/zinc/23/18/55/654231855.db2.gz LEGZYAZXVRFGRZ-CJNGLKHVSA-N 1 0 381.381 2.328 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000903269886 654232166 /nfs/dbraw/zinc/23/21/66/654232166.db2.gz AVQHRIYHSHJDNH-NUEKZKHPSA-N 1 0 378.460 2.462 20 0 GEADRO CON(C)C(=O)CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337229 654233810 /nfs/dbraw/zinc/23/38/10/654233810.db2.gz LJBIDOOFMVQORJ-KOLCDFICSA-N 1 0 384.112 2.224 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CCS(=O)(=O)C1 ZINC000903363386 654235299 /nfs/dbraw/zinc/23/52/99/654235299.db2.gz NTFXYGQZUZAATP-KSZLIROESA-N 1 0 387.929 2.223 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CCS(=O)(=O)C1 ZINC000903364759 654235874 /nfs/dbraw/zinc/23/58/74/654235874.db2.gz BIZUEDIHPVRHOO-HZMBPMFUSA-N 1 0 380.279 2.443 20 0 GEADRO CO[C@]1(C[NH2+][C@H](C)Cc2ccc(Br)c(F)c2)CCS(=O)(=O)C1 ZINC000903366632 654236191 /nfs/dbraw/zinc/23/61/91/654236191.db2.gz FAXHXCPMRYNJON-ABAIWWIYSA-N 1 0 394.306 2.313 20 0 GEADRO COC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000903365967 654236273 /nfs/dbraw/zinc/23/62/73/654236273.db2.gz BNUSZGNSVQBNAA-HUUCEWRRSA-N 1 0 381.416 2.186 20 0 GEADRO CO[C@@]1(C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CCS(=O)(=O)C1 ZINC000903367699 654236641 /nfs/dbraw/zinc/23/66/41/654236641.db2.gz JHHLFKMRDGVJLK-SJKOYZFVSA-N 1 0 381.523 2.368 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)ccc1OC(F)F ZINC000903367393 654236719 /nfs/dbraw/zinc/23/67/19/654236719.db2.gz INFJBFBRZVTULR-MEDUHNTESA-N 1 0 379.425 2.151 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CCS(=O)(=O)C1 ZINC000903367698 654236750 /nfs/dbraw/zinc/23/67/50/654236750.db2.gz JHHLFKMRDGVJLK-SJCJKPOMSA-N 1 0 381.523 2.368 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000921143281 654237117 /nfs/dbraw/zinc/23/71/17/654237117.db2.gz LSSVWJYDHMCVAH-HNNXBMFYSA-N 1 0 384.571 2.050 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1ccc(Cl)nc1)CCS2(=O)=O ZINC000903451289 654239500 /nfs/dbraw/zinc/23/95/00/654239500.db2.gz DZSJQMRSPOHZPQ-DHFKXCJNSA-N 1 0 386.901 2.285 20 0 GEADRO O=C(CN[C@@H]1CC[NH2+]C12CCC2)Nc1ccccc1I ZINC000903465795 654239984 /nfs/dbraw/zinc/23/99/84/654239984.db2.gz MUAYZMFWDGHLDZ-CYBMUJFWSA-N 1 0 385.249 2.104 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)CCS2(=O)=O ZINC000903452612 654239910 /nfs/dbraw/zinc/23/99/10/654239910.db2.gz PDIFAYMNAKZTIU-BBYOUEMTSA-N 1 0 386.901 2.285 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1ccc(Cl)cn1)CCS2(=O)=O ZINC000903452965 654240036 /nfs/dbraw/zinc/24/00/36/654240036.db2.gz RPKPVVOPABABBP-ROBSIFSHSA-N 1 0 386.901 2.285 20 0 GEADRO O=C(CN[C@@H]1CC[NH2+]C12CCCC2)Nc1ccccc1I ZINC000903486540 654240607 /nfs/dbraw/zinc/24/06/07/654240607.db2.gz WBSCSKYXFMSPPB-CQSZACIVSA-N 1 0 399.276 2.494 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC[C@H]1C(F)(F)F ZINC000903512095 654244042 /nfs/dbraw/zinc/24/40/42/654244042.db2.gz JZUGALOOXPJTCQ-LDYMZIIASA-N 1 0 396.822 2.364 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(Br)ccc(OC)c2F)C1 ZINC000903511154 654244060 /nfs/dbraw/zinc/24/40/60/654244060.db2.gz QRLRKWYQSAQFBO-SNVBAGLBSA-N 1 0 395.294 2.217 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)CC[C@@H]1C(F)(F)F ZINC000903512313 654244438 /nfs/dbraw/zinc/24/44/38/654244438.db2.gz QFZMOGSFGJSZPM-ZJUUUORDSA-N 1 0 379.379 2.455 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2c(Br)ccc(OC)c2F)CC1 ZINC000903512992 654244524 /nfs/dbraw/zinc/24/45/24/654244524.db2.gz MNYVZCLEQZQMOW-UHFFFAOYSA-N 1 0 395.294 2.217 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)CC[C@H]1C(F)(F)F ZINC000903512312 654244544 /nfs/dbraw/zinc/24/45/44/654244544.db2.gz QFZMOGSFGJSZPM-VHSXEESVSA-N 1 0 379.379 2.455 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CC[C@H]1[NH3+] ZINC000903517064 654246448 /nfs/dbraw/zinc/24/64/48/654246448.db2.gz DGQIJLHTJFZLSL-ZWNOBZJWSA-N 1 0 379.295 2.477 20 0 GEADRO C[N@H+](CCNC(=O)NCc1cnc(Br)cn1)Cc1ccc(F)cc1 ZINC000921320793 654246408 /nfs/dbraw/zinc/24/64/08/654246408.db2.gz SOQVSNAEVPORJQ-UHFFFAOYSA-N 1 0 396.264 2.309 20 0 GEADRO C[C@@H]1C[C@@H](C[NH+]2CCC(n3nncc3I)CC2)CCO1 ZINC000852532613 654246684 /nfs/dbraw/zinc/24/66/84/654246684.db2.gz NLPDNVQJHRHUTE-NEPJUHHUSA-N 1 0 390.269 2.335 20 0 GEADRO C[C@]1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1(Br)Br ZINC000852880692 654265248 /nfs/dbraw/zinc/26/52/48/654265248.db2.gz OELVHFGMMNCHED-VXGBXAGGSA-N 1 0 380.124 2.485 20 0 GEADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2cccnc2OCC(F)F)CC1 ZINC000903523486 654248746 /nfs/dbraw/zinc/24/87/46/654248746.db2.gz WUNTUINDHJTXLX-UHFFFAOYSA-N 1 0 377.457 2.111 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1F ZINC000903525132 654249429 /nfs/dbraw/zinc/24/94/29/654249429.db2.gz AGOPGNKNYCRUPE-WDEREUQCSA-N 1 0 393.278 2.112 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c1F ZINC000903531014 654250813 /nfs/dbraw/zinc/25/08/13/654250813.db2.gz GNDHATRSYACDDZ-HWPZZCPQSA-N 1 0 390.864 2.158 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)CS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000871695172 654252384 /nfs/dbraw/zinc/25/23/84/654252384.db2.gz VJUIJIZSVLBHOU-UHFFFAOYSA-N 1 0 376.881 2.242 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903544877 654252955 /nfs/dbraw/zinc/25/29/55/654252955.db2.gz KYWXSJWULHDNEX-CYBMUJFWSA-N 1 0 388.917 2.094 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1F)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544855 654252982 /nfs/dbraw/zinc/25/29/82/654252982.db2.gz KBALAICKAHKUIU-AWEZNQCLSA-N 1 0 376.881 2.057 20 0 GEADRO CSc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903545125 654253337 /nfs/dbraw/zinc/25/33/37/654253337.db2.gz ZDZXXGCYZAWKLK-GFCCVEGCSA-N 1 0 390.958 2.499 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)cccc1Cl ZINC000903545331 654253400 /nfs/dbraw/zinc/25/34/00/654253400.db2.gz LYHOCCPDVLRANW-LLVKDONJSA-N 1 0 379.309 2.430 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@H]1CC[NH3+] ZINC000903552336 654254765 /nfs/dbraw/zinc/25/47/65/654254765.db2.gz DVOZOSQYRRTWPQ-RKDXNWHRSA-N 1 0 382.711 2.103 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1F)N1CC[NH2+]CCC12CCOCC2 ZINC000903549923 654254557 /nfs/dbraw/zinc/25/45/57/654254557.db2.gz TVOKHTZFNZKLDV-UHFFFAOYSA-N 1 0 376.881 2.153 20 0 GEADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1ccc(Br)c(F)c1 ZINC000903555384 654254810 /nfs/dbraw/zinc/25/48/10/654254810.db2.gz LIAPPPCHBDFLOL-UHFFFAOYSA-N 1 0 377.279 2.399 20 0 GEADRO O[C@H](CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(F)c(Br)c1 ZINC000852708001 654255230 /nfs/dbraw/zinc/25/52/30/654255230.db2.gz NXURVCCIPNAHMU-WMLDXEAASA-N 1 0 387.293 2.153 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903563220 654257067 /nfs/dbraw/zinc/25/70/67/654257067.db2.gz UMCASAGYYBGHJS-JMJZKYOTSA-N 1 0 395.706 2.282 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2CCCCC[NH2+]2)cc1Cl ZINC000903567182 654257090 /nfs/dbraw/zinc/25/70/90/654257090.db2.gz ABRWWYFGBISUPS-LLVKDONJSA-N 1 0 377.869 2.248 20 0 GEADRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1 ZINC000903569740 654257480 /nfs/dbraw/zinc/25/74/80/654257480.db2.gz JYLAVEKSSQIGFE-PSASIEDQSA-N 1 0 387.221 2.268 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000903570204 654257618 /nfs/dbraw/zinc/25/76/18/654257618.db2.gz VHYVSCKBURVQLZ-VXNVDRBHSA-N 1 0 394.749 2.452 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000903571092 654257802 /nfs/dbraw/zinc/25/78/02/654257802.db2.gz QLZFEEMWZVOVPR-XWEPSHTISA-N 1 0 383.695 2.127 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000903573991 654259288 /nfs/dbraw/zinc/25/92/88/654259288.db2.gz PQYGGXUTRVNOFY-NSHDSACASA-N 1 0 375.878 2.281 20 0 GEADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852771527 654259942 /nfs/dbraw/zinc/25/99/42/654259942.db2.gz FWEVGXIOHPIYKR-HNNXBMFYSA-N 1 0 386.279 2.159 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000903577752 654260137 /nfs/dbraw/zinc/26/01/37/654260137.db2.gz UMZRRPNPEWBURH-MNOVXSKESA-N 1 0 387.221 2.349 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000903577497 654260188 /nfs/dbraw/zinc/26/01/88/654260188.db2.gz NMMHBHPTTBRPLR-NSHDSACASA-N 1 0 395.294 2.359 20 0 GEADRO C[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1cccc(NS(C)(=O)=O)c1 ZINC000852785800 654260339 /nfs/dbraw/zinc/26/03/39/654260339.db2.gz HFBPRSHUVQMYDA-LLVKDONJSA-N 1 0 379.507 2.256 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC[C@H]1C(F)(F)F ZINC000903578037 654260450 /nfs/dbraw/zinc/26/04/50/654260450.db2.gz AVECZVXONNMKNM-RKDXNWHRSA-N 1 0 377.310 2.001 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852800029 654260711 /nfs/dbraw/zinc/26/07/11/654260711.db2.gz WJGFFPLIRMNQTO-CYBMUJFWSA-N 1 0 398.248 2.190 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871804415 654260835 /nfs/dbraw/zinc/26/08/35/654260835.db2.gz IIYGXVNWZNJORG-ZDUSSCGKSA-N 1 0 385.917 2.377 20 0 GEADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc3c(cc1Cl)CCCC(=O)N3)C2 ZINC000871804848 654260919 /nfs/dbraw/zinc/26/09/19/654260919.db2.gz HQXMBPHRWCWOJH-YVEFUNNKSA-N 1 0 383.901 2.117 20 0 GEADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852802132 654260862 /nfs/dbraw/zinc/26/08/62/654260862.db2.gz KHFWRIORWHGQRT-NSHDSACASA-N 1 0 387.267 2.274 20 0 GEADRO C[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C[C@@H]1C[NH3+] ZINC000871806203 654261156 /nfs/dbraw/zinc/26/11/56/654261156.db2.gz YRJFJPIIOXCNGE-AAEUAGOBSA-N 1 0 385.917 2.220 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852803932 654261164 /nfs/dbraw/zinc/26/11/64/654261164.db2.gz GFLHAMFHGHCABH-UHFFFAOYSA-N 1 0 380.286 2.464 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)C1CC[NH2+]CC1 ZINC000871807476 654261595 /nfs/dbraw/zinc/26/15/95/654261595.db2.gz UTNMZKHLJFRTES-NSHDSACASA-N 1 0 385.917 2.281 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC000871807332 654261603 /nfs/dbraw/zinc/26/16/03/654261603.db2.gz MJOTZJXXCLZJHI-CABCVRRESA-N 1 0 378.416 2.280 20 0 GEADRO C[C@]1(CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CCC[NH2+]C1 ZINC000871808118 654261713 /nfs/dbraw/zinc/26/17/13/654261713.db2.gz VFDJRVZDSDTEPX-KRWDZBQOSA-N 1 0 385.917 2.283 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cscc2Br)CC[C@H]1C(F)(F)F ZINC000903581607 654262019 /nfs/dbraw/zinc/26/20/19/654262019.db2.gz NLQQEKOLTIQBIT-HTRCEHHLSA-N 1 0 393.250 2.411 20 0 GEADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC2(C1)CC[NH2+]CC2 ZINC000852826472 654262224 /nfs/dbraw/zinc/26/22/24/654262224.db2.gz KFPOXPPPRXWTJM-UHFFFAOYSA-N 1 0 381.270 2.436 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000871811879 654262827 /nfs/dbraw/zinc/26/28/27/654262827.db2.gz SVYOXNIXIXKDGM-KCJUWKMLSA-N 1 0 376.322 2.463 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c(Cl)cc1Cl ZINC000903583696 654262859 /nfs/dbraw/zinc/26/28/59/654262859.db2.gz DHMLIVRVHSHJON-GFCCVEGCSA-N 1 0 381.281 2.138 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)Cc1cc(F)ccc1Br ZINC000903583829 654263118 /nfs/dbraw/zinc/26/31/18/654263118.db2.gz GYMPIDXLMFBJTO-SMDDNHRTSA-N 1 0 377.279 2.231 20 0 GEADRO [NH3+]C1(CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CCCC1 ZINC000852852759 654263324 /nfs/dbraw/zinc/26/33/24/654263324.db2.gz HXVKULUIJBRLFI-UHFFFAOYSA-N 1 0 378.523 2.316 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903584225 654263296 /nfs/dbraw/zinc/26/32/96/654263296.db2.gz JTWOYRDOTKGZFP-ZDUSSCGKSA-N 1 0 377.304 2.206 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000871814076 654264021 /nfs/dbraw/zinc/26/40/21/654264021.db2.gz OUDDTMYBVXNAJJ-CABZTGNLSA-N 1 0 388.358 2.088 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(Br)cc1 ZINC000852869716 654264473 /nfs/dbraw/zinc/26/44/73/654264473.db2.gz FEZBLKXGVCVEOY-QGZVFWFLSA-N 1 0 396.285 2.066 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871819451 654265579 /nfs/dbraw/zinc/26/55/79/654265579.db2.gz SYEQLHJITVZVBC-CABCVRRESA-N 1 0 389.315 2.162 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000871821011 654266003 /nfs/dbraw/zinc/26/60/03/654266003.db2.gz ZCKMNLOMBCHBKH-LSDHHAIUSA-N 1 0 388.331 2.078 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000921427085 654266249 /nfs/dbraw/zinc/26/62/49/654266249.db2.gz WZOINPRBEFHLJZ-ZDUSSCGKSA-N 1 0 384.322 2.358 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)C[C@H]1C2(Br)Br ZINC000852901773 654266425 /nfs/dbraw/zinc/26/64/25/654266425.db2.gz RAAZDZZLQLNNBO-LFSVMHDDSA-N 1 0 392.135 2.341 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000852908273 654267526 /nfs/dbraw/zinc/26/75/26/654267526.db2.gz KTQDCBKCWHLELC-OAHLLOKOSA-N 1 0 391.269 2.032 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000852908421 654268044 /nfs/dbraw/zinc/26/80/44/654268044.db2.gz MYHFSNBGBVKWFA-JKSUJKDBSA-N 1 0 383.286 2.118 20 0 GEADRO COc1ncc(S(=O)(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1Cl ZINC000921480124 654272455 /nfs/dbraw/zinc/27/24/55/654272455.db2.gz ZMQXXCRSLKAZEE-OAHLLOKOSA-N 1 0 384.889 2.110 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC1 ZINC000832591691 654279416 /nfs/dbraw/zinc/27/94/16/654279416.db2.gz HDUQKXIJOYAKRL-GFCCVEGCSA-N 1 0 385.917 2.079 20 0 GEADRO CN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903714049 654280551 /nfs/dbraw/zinc/28/05/51/654280551.db2.gz LHSHEAZNALYHCI-QWHCGFSZSA-N 1 0 377.794 2.037 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717882 654280963 /nfs/dbraw/zinc/28/09/63/654280963.db2.gz FHKZUVUDLVRCRT-GUYCJALGSA-N 1 0 382.302 2.088 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000832614164 654280852 /nfs/dbraw/zinc/28/08/52/654280852.db2.gz WICMBFMBEVKWCD-UHFFFAOYSA-N 1 0 380.539 2.433 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717880 654281019 /nfs/dbraw/zinc/28/10/19/654281019.db2.gz FHKZUVUDLVRCRT-CXAGYDPISA-N 1 0 382.302 2.088 20 0 GEADRO C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903719966 654281599 /nfs/dbraw/zinc/28/15/99/654281599.db2.gz AZSQPRVFLWMRKZ-IRUJWGPZSA-N 1 0 377.794 2.207 20 0 GEADRO Cc1ccc(CN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C(C)C)s1 ZINC000903730990 654281796 /nfs/dbraw/zinc/28/17/96/654281796.db2.gz SSTBMSWLXPLMIX-CHWSQXEVSA-N 1 0 377.432 2.142 20 0 GEADRO CC(C)[C@@H](C(=O)OCc1cc(=O)n2cc(Br)ccc2n1)[NH+](C)C ZINC000803498301 654281854 /nfs/dbraw/zinc/28/18/54/654281854.db2.gz RWTREWWXQYZQCA-HNNXBMFYSA-N 1 0 382.258 2.086 20 0 GEADRO [NH3+][C@H](CC(F)F)CN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000903904123 654291047 /nfs/dbraw/zinc/29/10/47/654291047.db2.gz PLHZUSGIXNREBA-SNVBAGLBSA-N 1 0 387.905 2.080 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000891393618 654290949 /nfs/dbraw/zinc/29/09/49/654290949.db2.gz AGEZKBYJKWGKCY-MXWKQRLJSA-N 1 0 384.274 2.318 20 0 GEADRO [NH3+][C@H](CC(F)F)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000903903245 654291007 /nfs/dbraw/zinc/29/10/07/654291007.db2.gz HMAQZKUCKQYPMY-GFCCVEGCSA-N 1 0 391.260 2.477 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000891393607 654291074 /nfs/dbraw/zinc/29/10/74/654291074.db2.gz AGEZKBYJKWGKCY-GARJFASQSA-N 1 0 384.274 2.318 20 0 GEADRO O=C(COC(=O)c1cscc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000803772741 654291406 /nfs/dbraw/zinc/29/14/06/654291406.db2.gz WRLSOLNRRWESKQ-UHFFFAOYSA-N 1 0 387.299 2.410 20 0 GEADRO C[C@@]1(NC(=O)Nc2cnc(Br)c(Br)c2)CC[NH2+]C1 ZINC000853315209 654291819 /nfs/dbraw/zinc/29/18/19/654291819.db2.gz YNSWGTPJAWNKQD-LLVKDONJSA-N 1 0 378.068 2.480 20 0 GEADRO Brc1ccc2c(c1)N(Cc1cnnn1[C@H]1CCC[NH2+]C1)CCO2 ZINC000903912548 654291904 /nfs/dbraw/zinc/29/19/04/654291904.db2.gz GSVKGUUAKCYLAY-ZDUSSCGKSA-N 1 0 378.274 2.364 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903967286 654292946 /nfs/dbraw/zinc/29/29/46/654292946.db2.gz BRMVRWWSNOYLOV-ZDUSSCGKSA-N 1 0 393.372 2.037 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000832743404 654292944 /nfs/dbraw/zinc/29/29/44/654292944.db2.gz YAZBDCHQCOFDPR-RYUDHWBXSA-N 1 0 378.274 2.229 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(F)cc1Cl ZINC000832764499 654293870 /nfs/dbraw/zinc/29/38/70/654293870.db2.gz NFEBJVUAEJXKCS-LLVKDONJSA-N 1 0 392.880 2.369 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)C1 ZINC000853398477 654294469 /nfs/dbraw/zinc/29/44/69/654294469.db2.gz FCUUFKZRJKUFMT-CQSZACIVSA-N 1 0 385.917 2.311 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)CC1 ZINC000853390649 654294494 /nfs/dbraw/zinc/29/44/94/654294494.db2.gz HQGZXYNWXJYNQC-SECBINFHSA-N 1 0 388.697 2.267 20 0 GEADRO COCCC1(NC(=O)NCc2sccc2Br)CC[NH2+]CC1 ZINC000891460919 654294602 /nfs/dbraw/zinc/29/46/02/654294602.db2.gz LCPJVUIGJQXIGH-UHFFFAOYSA-N 1 0 376.320 2.469 20 0 GEADRO O=C(NCCSC(F)(F)F)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000853452560 654296455 /nfs/dbraw/zinc/29/64/55/654296455.db2.gz LVKLBGLYJGUDDB-CQSZACIVSA-N 1 0 377.432 2.305 20 0 GEADRO CCO[C@@H](CNS(=O)(=O)Cc1cc(Cl)sc1Cl)C[NH+](C)C ZINC000921636129 654296823 /nfs/dbraw/zinc/29/68/23/654296823.db2.gz NVCWPBDUSAZPKB-JTQLQIEISA-N 1 0 375.343 2.441 20 0 GEADRO CCO[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC(F)F)C[NH+](C)C ZINC000921635162 654296922 /nfs/dbraw/zinc/29/69/22/654296922.db2.gz WEQCPTZTHJSYTP-NSHDSACASA-N 1 0 386.848 2.186 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(c3ncnc(F)c3Br)CC2)CC1 ZINC000853477933 654298141 /nfs/dbraw/zinc/29/81/41/654298141.db2.gz LHQGEEQRSZIUJJ-UHFFFAOYSA-N 1 0 386.313 2.232 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000891531717 654299574 /nfs/dbraw/zinc/29/95/74/654299574.db2.gz PSTKQQYDBVSCGF-MLGOLLRUSA-N 1 0 397.342 2.047 20 0 GEADRO CCSc1cccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@@H]34)n2)c1 ZINC000904121745 654303109 /nfs/dbraw/zinc/30/31/09/654303109.db2.gz WBTVTXAIXLBNBX-VHDGCEQUSA-N 1 0 379.507 2.024 20 0 GEADRO CCOC(=O)[C@@H](C)C1C[NH+](C[C@H](O)COc2cccc(Br)c2)C1 ZINC000871994734 654305157 /nfs/dbraw/zinc/30/51/57/654305157.db2.gz WSMGFWBRRVOFLL-WFASDCNBSA-N 1 0 386.286 2.320 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccccc1I ZINC000904274803 654306992 /nfs/dbraw/zinc/30/69/92/654306992.db2.gz RJEWWFFHTVALQR-LLVKDONJSA-N 1 0 389.237 2.133 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1nc(Br)sc1C1CC1 ZINC000833574692 654307807 /nfs/dbraw/zinc/30/78/07/654307807.db2.gz IDZFMTZTLFBGOZ-LLVKDONJSA-N 1 0 388.331 2.360 20 0 GEADRO [NH3+][C@H]1C[C@@H](CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000904334402 654307896 /nfs/dbraw/zinc/30/78/96/654307896.db2.gz VAONCYFLZMUPNU-TXEJJXNPSA-N 1 0 378.325 2.037 20 0 GEADRO O=C(Nc1ccc(F)cc1I)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904364458 654308182 /nfs/dbraw/zinc/30/81/82/654308182.db2.gz MBSOKXDHBREXSY-JFUSQASVSA-N 1 0 375.185 2.445 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(C)CC2(Cl)Cl)CC1=O ZINC000833833782 654309729 /nfs/dbraw/zinc/30/97/29/654309729.db2.gz OPGLFYIZTRAHSV-XJKCOSOUSA-N 1 0 376.328 2.019 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000904418669 654309841 /nfs/dbraw/zinc/30/98/41/654309841.db2.gz BEVOYRZPAHJJCI-JTQLQIEISA-N 1 0 377.670 2.340 20 0 GEADRO Brc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(N2CCOCC2)c1 ZINC000904420355 654310145 /nfs/dbraw/zinc/31/01/45/654310145.db2.gz LQHPLGDBUZASBZ-GOEBONIOSA-N 1 0 380.330 2.327 20 0 GEADRO Cn1ncc(S(=O)(=O)NC2(C[NH+]3CCCCC3)CCC2)c1C(F)(F)F ZINC000872006457 654310250 /nfs/dbraw/zinc/31/02/50/654310250.db2.gz XXCGRJKDZQAOKG-UHFFFAOYSA-N 1 0 380.436 2.126 20 0 GEADRO COc1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(I)c1 ZINC000904448660 654311135 /nfs/dbraw/zinc/31/11/35/654311135.db2.gz BFADJUANOYGFNM-OXHMUOHRSA-N 1 0 387.221 2.314 20 0 GEADRO CCN(C(=O)NCCc1cn2cc(Br)cc(C)c2n1)[C@H]1CC[NH2+]C1 ZINC000891782363 654311544 /nfs/dbraw/zinc/31/15/44/654311544.db2.gz GSXSIKQJYZKBIW-HNNXBMFYSA-N 1 0 394.317 2.341 20 0 GEADRO CC[N@H+](CCNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000853636698 654312482 /nfs/dbraw/zinc/31/24/82/654312482.db2.gz IPEOUVPUAQAKFG-UHFFFAOYSA-N 1 0 382.302 2.146 20 0 GEADRO Brc1c[nH]c(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)n1 ZINC000921728304 654312851 /nfs/dbraw/zinc/31/28/51/654312851.db2.gz HDTBTZVEOVXOQL-HNNXBMFYSA-N 1 0 379.302 2.205 20 0 GEADRO O=C(C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)NCC(F)F ZINC000872068612 654312963 /nfs/dbraw/zinc/31/29/63/654312963.db2.gz HQEVNGHVONCNMR-ABAIWWIYSA-N 1 0 377.229 2.498 20 0 GEADRO OCc1cn(CCC[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)nn1 ZINC000872073911 654313426 /nfs/dbraw/zinc/31/34/26/654313426.db2.gz WWTLSIMDWRIJRK-WMLDXEAASA-N 1 0 395.301 2.290 20 0 GEADRO COCCOc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC000904551006 654313903 /nfs/dbraw/zinc/31/39/03/654313903.db2.gz JHZGCMBEKDZWIX-RISCZKNCSA-N 1 0 384.274 2.300 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3nc(Br)ccc3Br)C[C@@H]21 ZINC000834308032 654314210 /nfs/dbraw/zinc/31/42/10/654314210.db2.gz WCOVOSNIHLOVHX-SCZZXKLOSA-N 1 0 389.091 2.383 20 0 GEADRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(NS(C)(=O)=O)c1 ZINC000872120951 654314433 /nfs/dbraw/zinc/31/44/33/654314433.db2.gz WVVCXZASDUPLIH-KZWSWKJNSA-N 1 0 386.539 2.065 20 0 GEADRO C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc(Cn2cc(Br)cn2)no1 ZINC000872176304 654315501 /nfs/dbraw/zinc/31/55/01/654315501.db2.gz SCKKQMBZIKVLHN-CQSZACIVSA-N 1 0 391.273 2.209 20 0 GEADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1-c1nc(Cn2cc(Br)cn2)no1 ZINC000872176584 654315679 /nfs/dbraw/zinc/31/56/79/654315679.db2.gz VRIWURYVGKETPF-LBPRGKRZSA-N 1 0 392.261 2.173 20 0 GEADRO Brc1ccccc1CCc1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1 ZINC000904674765 654315758 /nfs/dbraw/zinc/31/57/58/654315758.db2.gz QSLGSAYUOINPCE-DYVFJYSZSA-N 1 0 378.270 2.495 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccc(I)cc2Cl)C1 ZINC000891866626 654316130 /nfs/dbraw/zinc/31/61/30/654316130.db2.gz DRVAADIWZWIHJK-JLIMDTESSA-N 1 0 393.656 2.481 20 0 GEADRO C[C@H](NC(=O)Cc1noc([C@@H](N)C[NH+](C)C)n1)c1ccc(Cl)cc1Cl ZINC000872180560 654316202 /nfs/dbraw/zinc/31/62/02/654316202.db2.gz QQPWIHWBHBCTLT-ZANVPECISA-N 1 0 386.283 2.358 20 0 GEADRO COCCC1(NC(=O)N[C@H](C)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000891866566 654316283 /nfs/dbraw/zinc/31/62/83/654316283.db2.gz FXSRLDDPELSVSR-GFCCVEGCSA-N 1 0 385.306 2.363 20 0 GEADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1ncc(Br)cn1 ZINC000891882354 654316574 /nfs/dbraw/zinc/31/65/74/654316574.db2.gz RIZXKUALNSTWFL-UHFFFAOYSA-N 1 0 390.285 2.097 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199554 654316626 /nfs/dbraw/zinc/31/66/26/654316626.db2.gz PYMMKDXBEWCKGX-INMHGKMJSA-N 1 0 375.296 2.186 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000872187560 654316654 /nfs/dbraw/zinc/31/66/54/654316654.db2.gz WUQWGCJZRAUREC-UHFFFAOYSA-N 1 0 384.318 2.385 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000872246733 654319540 /nfs/dbraw/zinc/31/95/40/654319540.db2.gz FNSUADBPKIDCRA-CRAIPNDOSA-N 1 0 383.897 2.143 20 0 GEADRO O=C1OCC[C@@H]1CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000872244360 654319555 /nfs/dbraw/zinc/31/95/55/654319555.db2.gz JBUVFNDXJDRDQG-FZMZJTMJSA-N 1 0 390.249 2.261 20 0 GEADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(Br)c[nH]1 ZINC000921767445 654319897 /nfs/dbraw/zinc/31/98/97/654319897.db2.gz RLYKOAYLKQZHJY-GJZGRUSLSA-N 1 0 379.302 2.145 20 0 GEADRO O=C(CCc1ccc(Cl)s1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872260440 654320423 /nfs/dbraw/zinc/32/04/23/654320423.db2.gz VCIUSAJOQYIRCO-KGLIPLIRSA-N 1 0 383.901 2.118 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)/C=C/c1ccc(I)o1)C2 ZINC000872262737 654320478 /nfs/dbraw/zinc/32/04/78/654320478.db2.gz AXPUMPUCCRPWMG-LPZJRDJDSA-N 1 0 386.233 2.355 20 0 GEADRO O=C1OC[C@]2(C[NH2+]Cc3cccc(Cl)c3Br)COCCN12 ZINC000872261364 654320488 /nfs/dbraw/zinc/32/04/88/654320488.db2.gz NQCCOWLYHAQFGC-AWEZNQCLSA-N 1 0 375.650 2.413 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)C1 ZINC000872266046 654320838 /nfs/dbraw/zinc/32/08/38/654320838.db2.gz SKUAMDARNJMKCR-NORZTCDRSA-N 1 0 376.258 2.155 20 0 GEADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)NC1CC[NH2+]CC1 ZINC000891961913 654321057 /nfs/dbraw/zinc/32/10/57/654321057.db2.gz LFXVFKPFMPNVDF-UHFFFAOYSA-N 1 0 378.274 2.186 20 0 GEADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)NC[C@@H]1CCC[NH2+]1 ZINC000891999752 654322814 /nfs/dbraw/zinc/32/28/14/654322814.db2.gz MRRZSMRCNKEHLM-ZDUSSCGKSA-N 1 0 378.274 2.186 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)C(F)(F)F)n1 ZINC000904940811 654325134 /nfs/dbraw/zinc/32/51/34/654325134.db2.gz TUCANEDFTACWAL-LALPHHSUSA-N 1 0 377.432 2.192 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000834453603 654326661 /nfs/dbraw/zinc/32/66/61/654326661.db2.gz SVPOKGNUIBNXEF-QWHCGFSZSA-N 1 0 387.933 2.228 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)N[C@H](C)CC[NH3+])c(Cl)cc1Cl ZINC000834456840 654327087 /nfs/dbraw/zinc/32/70/87/654327087.db2.gz IVSDFVOEMAYXCL-SNVBAGLBSA-N 1 0 396.340 2.395 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905025622 654327355 /nfs/dbraw/zinc/32/73/55/654327355.db2.gz OQNJQYGJBNZYIF-CQSZACIVSA-N 1 0 385.302 2.342 20 0 GEADRO Cc1nc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)sc1Br ZINC000921832577 654329007 /nfs/dbraw/zinc/32/90/07/654329007.db2.gz ARZQGXIVWBKKCB-NXEZZACHSA-N 1 0 382.349 2.022 20 0 GEADRO C[C@@](O)(C[NH2+]Cc1cccc(CS(C)(=O)=O)c1)C(F)(F)C(F)(F)F ZINC000905080533 654329512 /nfs/dbraw/zinc/32/95/12/654329512.db2.gz MUSVAOPVIDRZJW-GFCCVEGCSA-N 1 0 375.359 2.269 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000853926555 654331074 /nfs/dbraw/zinc/33/10/74/654331074.db2.gz XLJVIGWOWRWBIC-VVLHAWIVSA-N 1 0 385.599 2.262 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905106219 654332107 /nfs/dbraw/zinc/33/21/07/654332107.db2.gz ORHMTHBDQNXYEN-INIZCTEOSA-N 1 0 399.329 2.053 20 0 GEADRO Cn1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(I)n1 ZINC000905110064 654332538 /nfs/dbraw/zinc/33/25/38/654332538.db2.gz DOCCKPYPMGRCFC-ZDUSSCGKSA-N 1 0 398.248 2.057 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000905121692 654333183 /nfs/dbraw/zinc/33/31/83/654333183.db2.gz FQXMBEGYUSYBNS-MAUKXSAKSA-N 1 0 388.339 2.023 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000892194548 654333430 /nfs/dbraw/zinc/33/34/30/654333430.db2.gz YTOGDUOTSDYBLG-OTCDBFHCSA-N 1 0 393.656 2.481 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1CSc3ccccc3O1)C2 ZINC000892201317 654333961 /nfs/dbraw/zinc/33/39/61/654333961.db2.gz LBUXXAXINHCEGW-LLVKDONJSA-N 1 0 376.507 2.223 20 0 GEADRO CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@H]3C[C@@]3(C)Br)CC2)n1 ZINC000892212432 654334339 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O[C@@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1(O)CCOCC1 ZINC000905192551 654337682 /nfs/dbraw/zinc/33/76/82/654337682.db2.gz VJVLBYGUHGEFLU-ZDUSSCGKSA-N 1 0 398.219 2.460 20 0 GEADRO O=C(NCc1cc(C(F)(F)F)ccc1Br)NC[C@@H]1COCC[NH2+]1 ZINC000892290912 654338827 /nfs/dbraw/zinc/33/88/27/654338827.db2.gz VOMATZAOTSKHBI-LLVKDONJSA-N 1 0 396.207 2.256 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)C3(O)CCCC3)nc12 ZINC000905208532 654339471 /nfs/dbraw/zinc/33/94/71/654339471.db2.gz LNZNVIBLVRUTOM-HNNXBMFYSA-N 1 0 382.302 2.203 20 0 GEADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2ncc(Br)c3cccnc32)CC1 ZINC000892320706 654339914 /nfs/dbraw/zinc/33/99/14/654339914.db2.gz YKXVNIINCDFMJD-GJZGRUSLSA-N 1 0 377.286 2.428 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000834640968 654340102 /nfs/dbraw/zinc/34/01/02/654340102.db2.gz VCGLGKSQLCGHQP-HNNXBMFYSA-N 1 0 375.332 2.299 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1(O)CCOCC1 ZINC000905230368 654341524 /nfs/dbraw/zinc/34/15/24/654341524.db2.gz MCHUDCKPRAAPTK-BBRMVZONSA-N 1 0 375.296 2.064 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@@H](O)CCC2(O)CCC2)CCN1c1cccc(Br)c1 ZINC000905237359 654342783 /nfs/dbraw/zinc/34/27/83/654342783.db2.gz JKNHKKQWJHDJDN-HOTGVXAUSA-N 1 0 397.313 2.200 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3cc(Br)c4c(c3)OCCO4)[C@@H]2C1 ZINC000892365092 654343220 /nfs/dbraw/zinc/34/32/20/654343220.db2.gz NKKJLRINVRAGJG-TZMCWYRMSA-N 1 0 396.285 2.066 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000921925553 654343340 /nfs/dbraw/zinc/34/33/40/654343340.db2.gz VXJSCLPXPRMRFU-FRRDWIJNSA-N 1 0 378.947 2.475 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccc(Cl)s1 ZINC000921925558 654343469 /nfs/dbraw/zinc/34/34/69/654343469.db2.gz VXJSCLPXPRMRFU-YNEHKIRRSA-N 1 0 378.947 2.475 20 0 GEADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000872463016 654344573 /nfs/dbraw/zinc/34/45/73/654344573.db2.gz GYHZAFGZMXHYTM-WXQIDZRNSA-N 1 0 377.576 2.076 20 0 GEADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000892425445 654345608 /nfs/dbraw/zinc/34/56/08/654345608.db2.gz BLGLTDVLCIGKOH-ZJGDRNRASA-N 1 0 376.298 2.481 20 0 GEADRO CN(C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000892438457 654346530 /nfs/dbraw/zinc/34/65/30/654346530.db2.gz CENWYMGJAPLZPP-UXIGCNINSA-N 1 0 385.917 2.327 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@@]2(C)CC2(Cl)Cl)CCC1 ZINC000905271945 654346654 /nfs/dbraw/zinc/34/66/54/654346654.db2.gz FULPLBLQKJHODG-DGCLKSJQSA-N 1 0 387.373 2.161 20 0 GEADRO O=C(NCC12CCC[NH+]1CCC2)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000834755179 654346724 /nfs/dbraw/zinc/34/67/24/654346724.db2.gz QBHPDDDUROVRCO-UHFFFAOYSA-N 1 0 376.400 2.338 20 0 GEADRO COCC1(CNC(=O)c2cc(Br)ncc2Cl)CC[NH2+]CC1 ZINC000834756122 654346743 /nfs/dbraw/zinc/34/67/43/654346743.db2.gz WRLIVPZTFNTTCS-UHFFFAOYSA-N 1 0 376.682 2.244 20 0 GEADRO COCC1(CNC(=O)c2cc(Br)cnc2Cl)CC[NH2+]CC1 ZINC000834754490 654346935 /nfs/dbraw/zinc/34/69/35/654346935.db2.gz AEUMNOAJFQVGJY-UHFFFAOYSA-N 1 0 376.682 2.244 20 0 GEADRO O=C(NCc1sccc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892499908 654348336 /nfs/dbraw/zinc/34/83/36/654348336.db2.gz ADNFUZABZQKLBE-CHWSQXEVSA-N 1 0 388.331 2.251 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834805235 654349275 /nfs/dbraw/zinc/34/92/75/654349275.db2.gz LTMGGCBWMVMDCX-VROVMSAKSA-N 1 0 388.205 2.156 20 0 GEADRO CC1([NH+]2CCC2)CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000834798848 654349300 /nfs/dbraw/zinc/34/93/00/654349300.db2.gz CWOFJENTMCAXSE-UHFFFAOYSA-N 1 0 382.302 2.134 20 0 GEADRO C[C@@H]([NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000892528119 654349599 /nfs/dbraw/zinc/34/95/99/654349599.db2.gz PPWRZCZRQOIRAZ-BDAKNGLRSA-N 1 0 396.822 2.314 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000905317516 654349711 /nfs/dbraw/zinc/34/97/11/654349711.db2.gz IVWPEQMTPGYRLP-UHFFFAOYSA-N 1 0 384.889 2.182 20 0 GEADRO CCCC[N@H+](C)CC1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 ZINC000854307609 654350184 /nfs/dbraw/zinc/35/01/84/654350184.db2.gz QNEMIPCRIXJKDY-VWLOTQADSA-N 1 0 385.496 2.451 20 0 GEADRO C[C@@H]([NH2+]CCC(C)(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834817940 654350428 /nfs/dbraw/zinc/35/04/28/654350428.db2.gz FQULVSJZTMATLG-LLVKDONJSA-N 1 0 384.470 2.108 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000892554207 654350677 /nfs/dbraw/zinc/35/06/77/654350677.db2.gz BIFJDXLRSUTZCB-DOMZBBRYSA-N 1 0 395.301 2.042 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2cc(Cl)ccc2I)C1 ZINC000892547770 654350872 /nfs/dbraw/zinc/35/08/72/654350872.db2.gz CWBXJRFSSKAMPW-DKTWLAJQSA-N 1 0 393.656 2.481 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl ZINC000834827601 654351113 /nfs/dbraw/zinc/35/11/13/654351113.db2.gz UXSFEOJKNYHBFS-JTQLQIEISA-N 1 0 396.340 2.395 20 0 GEADRO O=C(c1nc(F)ccc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854330836 654351332 /nfs/dbraw/zinc/35/13/32/654351332.db2.gz MYSPCSSOMCKXIK-LBPRGKRZSA-N 1 0 386.265 2.310 20 0 GEADRO COc1cc(CN(C)S(=O)(=O)CC2CC[NH2+]CC2)c(SC)cc1OC ZINC000905337620 654351326 /nfs/dbraw/zinc/35/13/26/654351326.db2.gz JCMYBRMIJCBUEU-UHFFFAOYSA-N 1 0 388.555 2.187 20 0 GEADRO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000905337290 654351407 /nfs/dbraw/zinc/35/14/07/654351407.db2.gz DTYBQMIBJJJNLS-NSHDSACASA-N 1 0 384.889 2.370 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc(Br)c1OC ZINC000892556001 654351460 /nfs/dbraw/zinc/35/14/60/654351460.db2.gz YLNMFHXVJCDEKD-JSGCOSHPSA-N 1 0 398.301 2.312 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000892556223 654351692 /nfs/dbraw/zinc/35/16/92/654351692.db2.gz VHNUOIDKASKIEU-IFUGULHKSA-N 1 0 386.265 2.408 20 0 GEADRO CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CC([NH3+])C1 ZINC000834832313 654352270 /nfs/dbraw/zinc/35/22/70/654352270.db2.gz WFOHLMFQQOSJRL-UHFFFAOYSA-N 1 0 385.917 2.076 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2C[C@]2(C)Br)ccc1OCC(=O)N(C)C ZINC000892584829 654352773 /nfs/dbraw/zinc/35/27/73/654352773.db2.gz OOLUJVKFPTYHMH-GUYCJALGSA-N 1 0 385.302 2.425 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000905356978 654353091 /nfs/dbraw/zinc/35/30/91/654353091.db2.gz SKBLJNNRWGHGPU-CQSZACIVSA-N 1 0 377.432 2.499 20 0 GEADRO CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@]2(C)Br)cc1OC ZINC000892595178 654353208 /nfs/dbraw/zinc/35/32/08/654353208.db2.gz RQDBFBSESCZAIC-GUYCJALGSA-N 1 0 385.302 2.473 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)CC1(O)CCCC1)Cc1ccccc1Br ZINC000905364572 654353320 /nfs/dbraw/zinc/35/33/20/654353320.db2.gz DZWXXCBUEDQMFX-GDBMZVCRSA-N 1 0 386.330 2.246 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000834856904 654353732 /nfs/dbraw/zinc/35/37/32/654353732.db2.gz BOHBKPFWUAUVRL-NSHDSACASA-N 1 0 398.248 2.057 20 0 GEADRO O=C(Cc1ccc(Cl)cc1Br)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854352695 654354955 /nfs/dbraw/zinc/35/49/55/654354955.db2.gz IWQWPUCTCUBVAN-AWEZNQCLSA-N 1 0 386.721 2.151 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905384528 654354969 /nfs/dbraw/zinc/35/49/69/654354969.db2.gz LRXNTPJECNIFHO-HZPDHXFCSA-N 1 0 381.270 2.427 20 0 GEADRO Cc1ccc(/C=C/C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000854353831 654354981 /nfs/dbraw/zinc/35/49/81/654354981.db2.gz HAKYQOWIDUIORP-SQRWCISFSA-N 1 0 378.314 2.277 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000854354073 654354994 /nfs/dbraw/zinc/35/49/94/654354994.db2.gz LYMKYORMIAYLQZ-LLVKDONJSA-N 1 0 395.276 2.189 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000834878179 654355120 /nfs/dbraw/zinc/35/51/20/654355120.db2.gz JYVDHOHMRFDXNV-RBSFLKMASA-N 1 0 377.551 2.130 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC[C@H]2CCCC2(F)F)CCC1 ZINC000905424140 654356243 /nfs/dbraw/zinc/35/62/43/654356243.db2.gz YLUCVMGSRZJYSK-KGLIPLIRSA-N 1 0 382.517 2.403 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000905430384 654356703 /nfs/dbraw/zinc/35/67/03/654356703.db2.gz JACGGMFFIONJRZ-WCQYABFASA-N 1 0 382.309 2.290 20 0 GEADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892664712 654356760 /nfs/dbraw/zinc/35/67/60/654356760.db2.gz ASTVZXNHKMKLQJ-UHFFFAOYSA-N 1 0 393.456 2.457 20 0 GEADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1 ZINC000905433135 654357056 /nfs/dbraw/zinc/35/70/56/654357056.db2.gz WATKADKXGGOQFJ-INIZCTEOSA-N 1 0 387.567 2.315 20 0 GEADRO C[C@H](OC[C@H](O)C[NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000905432817 654357084 /nfs/dbraw/zinc/35/70/84/654357084.db2.gz SJLAFFIPJWSJJM-IAOVAPTHSA-N 1 0 375.918 2.335 20 0 GEADRO Cc1cccc(C[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)c1Br ZINC000922027710 654357331 /nfs/dbraw/zinc/35/73/31/654357331.db2.gz AFNWQJMRRPZDQI-LBPRGKRZSA-N 1 0 377.286 2.405 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]Cc2cc(O)ccc2Cl)CCC1 ZINC000905438105 654357469 /nfs/dbraw/zinc/35/74/69/654357469.db2.gz POAPMANERNJBLU-HNNXBMFYSA-N 1 0 390.933 2.137 20 0 GEADRO C[C@](O)(C[NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000905459635 654358752 /nfs/dbraw/zinc/35/87/52/654358752.db2.gz HRAUSMUBMVZMPW-XEZPLFJOSA-N 1 0 376.266 2.315 20 0 GEADRO CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nc(Br)c[nH]2)nn1 ZINC000922044082 654359033 /nfs/dbraw/zinc/35/90/33/654359033.db2.gz KOYOETHTCUADNS-WDEREUQCSA-N 1 0 383.294 2.265 20 0 GEADRO OC[C@H](C[NH2+]Cc1cnc2n1CCOC2)Cc1cccc(Br)c1 ZINC000922057960 654361996 /nfs/dbraw/zinc/36/19/96/654361996.db2.gz INQNWQVMWZTOQO-AWEZNQCLSA-N 1 0 380.286 2.117 20 0 GEADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]Cc1cn(C)nc1Br ZINC000905516339 654362523 /nfs/dbraw/zinc/36/25/23/654362523.db2.gz LTYQKNDOHYRGPK-XJKSGUPXSA-N 1 0 388.306 2.147 20 0 GEADRO CCO[C@@H](CNC(=O)NCc1ccc(Br)cc1OC)C[NH+](C)C ZINC000922072214 654363128 /nfs/dbraw/zinc/36/31/28/654363128.db2.gz DSKBGDVHJALEJP-AWEZNQCLSA-N 1 0 388.306 2.224 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H](O)c2c(F)cccc2F)CCC1 ZINC000905521637 654363168 /nfs/dbraw/zinc/36/31/68/654363168.db2.gz SZAZYTKWBKSCMZ-AWEZNQCLSA-N 1 0 376.469 2.228 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000835136568 654364264 /nfs/dbraw/zinc/36/42/64/654364264.db2.gz QWZPXUANHYTQMR-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cc(Br)n2)CC1 ZINC000835140310 654364271 /nfs/dbraw/zinc/36/42/71/654364271.db2.gz AMRHRKPRLGOPAI-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CC(C)(C)n1cc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)c(=O)[nH]c1=O ZINC000905530745 654364391 /nfs/dbraw/zinc/36/43/91/654364391.db2.gz UOYUGQIFOWUGMC-AWEZNQCLSA-N 1 0 396.285 2.290 20 0 GEADRO COC(=O)CC(C)(C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000905532284 654364494 /nfs/dbraw/zinc/36/44/94/654364494.db2.gz PNQSQTAVOLUEEW-UHFFFAOYSA-N 1 0 392.315 2.402 20 0 GEADRO CCn1c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)nc(Br)c1Br ZINC000922080719 654364735 /nfs/dbraw/zinc/36/47/35/654364735.db2.gz ZDWONRSRFNHSSI-UFBFGSQYSA-N 1 0 397.111 2.058 20 0 GEADRO CC(C)O[C@@]1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCOC1 ZINC000905557946 654366337 /nfs/dbraw/zinc/36/63/37/654366337.db2.gz RNGBPWWZKBISOW-DOTOQJQBSA-N 1 0 388.302 2.363 20 0 GEADRO CC(C)([NH3+])CCNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000892860006 654367399 /nfs/dbraw/zinc/36/73/99/654367399.db2.gz HTNIAUODSLZOPE-UHFFFAOYSA-N 1 0 389.363 2.465 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000835167007 654367576 /nfs/dbraw/zinc/36/75/76/654367576.db2.gz PZSLETFCXYZZIW-NWDGAFQWSA-N 1 0 383.290 2.080 20 0 GEADRO O[C@@H](C[NH2+]CC1(n2cc(Br)cn2)CC1)C[C@@H](O)c1ccccc1 ZINC000905585162 654367701 /nfs/dbraw/zinc/36/77/01/654367701.db2.gz DIKWLJVQRKIIDN-HZPDHXFCSA-N 1 0 380.286 2.209 20 0 GEADRO O=C(NCc1ccc(Br)cc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892873517 654368066 /nfs/dbraw/zinc/36/80/66/654368066.db2.gz ROVIJDDBYLDDRE-HZPDHXFCSA-N 1 0 382.302 2.190 20 0 GEADRO Cc1ccccc1OC[C@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905588983 654368606 /nfs/dbraw/zinc/36/86/06/654368606.db2.gz ZQBPOQGUTPPLNQ-OAHLLOKOSA-N 1 0 380.286 2.473 20 0 GEADRO Cn1nccc1[C@@H](O)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000905623851 654370809 /nfs/dbraw/zinc/37/08/09/654370809.db2.gz GBHJOSCQHBVRPQ-LSDHHAIUSA-N 1 0 388.693 2.367 20 0 GEADRO C[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892944141 654371523 /nfs/dbraw/zinc/37/15/23/654371523.db2.gz FUDBPQCOTITTMB-YXJHDRRASA-N 1 0 386.945 2.126 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000922143797 654371994 /nfs/dbraw/zinc/37/19/94/654371994.db2.gz AQTGNYALDGJQKT-OAHLLOKOSA-N 1 0 385.306 2.269 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cnc2n1CCOC2)Cc1ccc(F)c(Br)c1 ZINC000922170427 654373067 /nfs/dbraw/zinc/37/30/67/654373067.db2.gz ZBIRPXKRZZJSMG-CYBMUJFWSA-N 1 0 398.276 2.256 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000905669181 654373317 /nfs/dbraw/zinc/37/33/17/654373317.db2.gz YLMKLUZVJCTBQJ-HRCADAONSA-N 1 0 385.551 2.422 20 0 GEADRO Cn1nnnc1CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000905684235 654374032 /nfs/dbraw/zinc/37/40/32/654374032.db2.gz VPHVZHYAIRFYPQ-AWEZNQCLSA-N 1 0 388.697 2.056 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000872588107 654375825 /nfs/dbraw/zinc/37/58/25/654375825.db2.gz CDRDMKVUDGZVRT-CQSZACIVSA-N 1 0 382.452 2.025 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000835287369 654377881 /nfs/dbraw/zinc/37/78/81/654377881.db2.gz RGUXBTFJFBAOJC-GFCCVEGCSA-N 1 0 383.290 2.080 20 0 GEADRO [NH3+]C1CCN(Cc2cn(Cc3ccc(Br)c(F)c3F)nn2)CC1 ZINC000905812536 654381203 /nfs/dbraw/zinc/38/12/03/654381203.db2.gz DSTPPXCKBUZVQH-UHFFFAOYSA-N 1 0 386.244 2.290 20 0 GEADRO [NH3+]C1CCN(Cc2cn(Cc3cc(Br)cc(F)c3F)nn2)CC1 ZINC000905809300 654381307 /nfs/dbraw/zinc/38/13/07/654381307.db2.gz WNGGRDZYVWUQAE-UHFFFAOYSA-N 1 0 386.244 2.290 20 0 GEADRO [NH3+]C1CCN(Cc2cn(Cc3nc4ccc(Br)cc4o3)nn2)CC1 ZINC000905808587 654381399 /nfs/dbraw/zinc/38/13/99/654381399.db2.gz YBRSQXNRGIIVRY-UHFFFAOYSA-N 1 0 391.273 2.153 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)CCC2(O)CCC2)nn1)c1ccc(Br)cc1 ZINC000905821133 654381821 /nfs/dbraw/zinc/38/18/21/654381821.db2.gz IVAFWNBZCZFUHN-HOCLYGCPSA-N 1 0 395.301 2.145 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872615494 654381925 /nfs/dbraw/zinc/38/19/25/654381925.db2.gz CKXAHRBRDKCCED-WDEREUQCSA-N 1 0 398.834 2.188 20 0 GEADRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+][C@H](C(N)=O)c3cccc(Br)c3)O2)CO1 ZINC000905841160 654384091 /nfs/dbraw/zinc/38/40/91/654384091.db2.gz YSEXIIVZPCQPRX-FIUQPQMISA-N 1 0 383.286 2.292 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000922334525 654384292 /nfs/dbraw/zinc/38/42/92/654384292.db2.gz CEYAIDTVUPCILY-OAHLLOKOSA-N 1 0 391.269 2.219 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1ccc(Br)cc1 ZINC000905852536 654385029 /nfs/dbraw/zinc/38/50/29/654385029.db2.gz FTSMMHSITHYHSY-SOUVJXGZSA-N 1 0 384.343 2.145 20 0 GEADRO NC(=O)[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1cccc(Br)c1 ZINC000905852455 654385045 /nfs/dbraw/zinc/38/50/45/654385045.db2.gz DYWNKVFNKUSFGE-QLFBSQMISA-N 1 0 384.343 2.145 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1cccc(Br)c1 ZINC000905852467 654385055 /nfs/dbraw/zinc/38/50/55/654385055.db2.gz DYWNKVFNKUSFGE-SOUVJXGZSA-N 1 0 384.343 2.145 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(Br)c1 ZINC000872661777 654386797 /nfs/dbraw/zinc/38/67/97/654386797.db2.gz BXIDDNLTPFARDJ-KGLIPLIRSA-N 1 0 389.315 2.315 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)CC2CC2)C[C@H]1C(F)(F)F ZINC000893167977 654387049 /nfs/dbraw/zinc/38/70/49/654387049.db2.gz QPSHSKPHDXSODD-BFHYXJOUSA-N 1 0 385.448 2.311 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1Br ZINC000872666558 654387855 /nfs/dbraw/zinc/38/78/55/654387855.db2.gz VTZKOAZDCRPRCY-KGLIPLIRSA-N 1 0 389.315 2.315 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2)C1 ZINC000905913036 654390732 /nfs/dbraw/zinc/39/07/32/654390732.db2.gz UNPWYDHUVJOKSX-GUYCJALGSA-N 1 0 376.469 2.213 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)c(Br)c1O ZINC000922407984 654390836 /nfs/dbraw/zinc/39/08/36/654390836.db2.gz XVRQZWKYFCACCF-NHYWBVRUSA-N 1 0 397.273 2.457 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC[C@@H]21 ZINC000872724861 654393416 /nfs/dbraw/zinc/39/34/16/654393416.db2.gz YYXDCAIZCFCQJF-GWCFXTLKSA-N 1 0 384.249 2.480 20 0 GEADRO CC(C)[C@H]1CN(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CC[N@@H+]1C ZINC000872736373 654393856 /nfs/dbraw/zinc/39/38/56/654393856.db2.gz QBTPNEDJCLAOFU-SJKOYZFVSA-N 1 0 384.933 2.398 20 0 GEADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]CC[S@@](=O)C(F)(F)F)O2 ZINC000905967709 654395112 /nfs/dbraw/zinc/39/51/12/654395112.db2.gz WHSVVWRVBJBRFV-JPQMIFPKSA-N 1 0 386.436 2.013 20 0 GEADRO CC(C)(C)n1nc(Br)c2c1ncnc2NCC[N@@H+]1CCCOCC1 ZINC000893383203 654399150 /nfs/dbraw/zinc/39/91/50/654399150.db2.gz QRWFUTYJBPDWGD-UHFFFAOYSA-N 1 0 397.321 2.478 20 0 GEADRO C[C@@H]1C[N@H+](CCCOC(=O)c2cn3ccc(Br)cc3n2)CCO1 ZINC000893386182 654399261 /nfs/dbraw/zinc/39/92/61/654399261.db2.gz ROPPKFHJPJHDLV-GFCCVEGCSA-N 1 0 382.258 2.364 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H](CO)CCc1ccccc1 ZINC000922541504 654400389 /nfs/dbraw/zinc/40/03/89/654400389.db2.gz KEFWOSHBEQEFEH-ZDUSSCGKSA-N 1 0 385.249 2.108 20 0 GEADRO CN(C)c1cc[nH+]cc1CNc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 ZINC000922616069 654403644 /nfs/dbraw/zinc/40/36/44/654403644.db2.gz VBRFNFUSGLAAPU-UHFFFAOYSA-N 1 0 382.511 2.176 20 0 GEADRO CO[C@]1(C[NH2+]Cc2ccnc3c(Br)cccc23)CCS(=O)(=O)C1 ZINC000922618009 654404214 /nfs/dbraw/zinc/40/42/14/654404214.db2.gz XSXWTTDHATWUNF-INIZCTEOSA-N 1 0 399.310 2.291 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000872903195 654404359 /nfs/dbraw/zinc/40/43/59/654404359.db2.gz LMSMAXDNVUSGNY-LLVKDONJSA-N 1 0 380.798 2.274 20 0 GEADRO O=C(NCc1ncc(Cl)s1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000872966074 654407706 /nfs/dbraw/zinc/40/77/06/654407706.db2.gz KINGCBAGKRZUSR-AWEZNQCLSA-N 1 0 380.901 2.363 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Cl ZINC000855285693 654410087 /nfs/dbraw/zinc/41/00/87/654410087.db2.gz AJAICJNNAHYYLD-ZDUSSCGKSA-N 1 0 387.933 2.193 20 0 GEADRO O[C@H](C[NH2+]Cc1cccc(F)c1I)C1CCOCC1 ZINC000873055239 654412045 /nfs/dbraw/zinc/41/20/45/654412045.db2.gz FTRMWNLXPSLLPC-CYBMUJFWSA-N 1 0 379.213 2.307 20 0 GEADRO Cc1sc(C[NH2+]CCNS(=O)(=O)Cc2ccon2)cc1Br ZINC000873072024 654412885 /nfs/dbraw/zinc/41/28/85/654412885.db2.gz PAUYYVJYUHGJEM-UHFFFAOYSA-N 1 0 394.316 2.016 20 0 GEADRO CCn1c(C[NH2+]CC[C@@H]2CNC(=O)C2)nc(Br)c1Br ZINC000922779702 654412772 /nfs/dbraw/zinc/41/27/72/654412772.db2.gz YXXGGOWVGZNLSV-QMMMGPOBSA-N 1 0 394.111 2.044 20 0 GEADRO Cc1cc(NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)ccc1OCC[NH+](C)C ZINC000906068060 654413226 /nfs/dbraw/zinc/41/32/26/654413226.db2.gz QAKWGPHTZFZXDR-DEOSSOPVSA-N 1 0 391.559 2.488 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000922781989 654413317 /nfs/dbraw/zinc/41/33/17/654413317.db2.gz ODNGXQCMWHCPGN-ZDUSSCGKSA-N 1 0 385.302 2.480 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922800971 654414114 /nfs/dbraw/zinc/41/41/14/654414114.db2.gz AZRPTGPNRSBREK-UHFFFAOYSA-N 1 0 389.095 2.421 20 0 GEADRO COC(=O)c1cc(C[NH2+]CC2(n3cc(Br)cn3)CC2)n(C)c1C ZINC000922803257 654414502 /nfs/dbraw/zinc/41/45/02/654414502.db2.gz XCQZRBJVDSUFEC-UHFFFAOYSA-N 1 0 381.274 2.358 20 0 GEADRO CCN(C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)[C@H]1CC[N@H+](C)C1 ZINC000855363338 654414947 /nfs/dbraw/zinc/41/49/47/654414947.db2.gz SJOHJBNAACFTAY-AWEZNQCLSA-N 1 0 379.917 2.440 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000873105609 654415397 /nfs/dbraw/zinc/41/53/97/654415397.db2.gz ZJWSLPHBNDFRAC-MNOVXSKESA-N 1 0 377.794 2.491 20 0 GEADRO Cn1cc(C(=O)Nc2ccccc2C[NH+](C)C)c(I)n1 ZINC000906084329 654415530 /nfs/dbraw/zinc/41/55/30/654415530.db2.gz VLGHDKXIQPVNEN-UHFFFAOYSA-N 1 0 384.221 2.339 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1Cl ZINC000873108381 654415967 /nfs/dbraw/zinc/41/59/67/654415967.db2.gz IZSXWALWGPCQQH-DYZYQPBXSA-N 1 0 386.279 2.399 20 0 GEADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000922837508 654416098 /nfs/dbraw/zinc/41/60/98/654416098.db2.gz HKFMHCIPVNDHBX-GXSJLCMTSA-N 1 0 379.345 2.470 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000922828258 654416184 /nfs/dbraw/zinc/41/61/84/654416184.db2.gz ZZUSEGFTQIWTQM-CYBMUJFWSA-N 1 0 388.283 2.204 20 0 GEADRO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(Br)c1O ZINC000922848591 654416407 /nfs/dbraw/zinc/41/64/07/654416407.db2.gz JDTFJKODRJDRJI-YOGCLGLASA-N 1 0 390.299 2.361 20 0 GEADRO C[C@@H](CCNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)[NH+](C)C ZINC000855411020 654417522 /nfs/dbraw/zinc/41/75/22/654417522.db2.gz LRDPVHVMEWMAQQ-LBPRGKRZSA-N 1 0 380.539 2.385 20 0 GEADRO OC[C@H]([NH2+]Cc1cccc(F)c1I)[C@@H]1CCCOC1 ZINC000873132366 654418073 /nfs/dbraw/zinc/41/80/73/654418073.db2.gz QFWCANWKRMGWAK-YPMHNXCESA-N 1 0 379.213 2.307 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1Br ZINC000922883809 654418356 /nfs/dbraw/zinc/41/83/56/654418356.db2.gz WJRAHYSIEAUBBE-UHFFFAOYSA-N 1 0 385.306 2.108 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2C[C@H](O)C2)cc(I)c1OC ZINC000873177511 654420719 /nfs/dbraw/zinc/42/07/19/654420719.db2.gz QICNMVIITSBGRW-HOMQSWHASA-N 1 0 377.222 2.169 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000873155339 654419298 /nfs/dbraw/zinc/41/92/98/654419298.db2.gz IWNHVIZFVIKUBD-CHWSQXEVSA-N 1 0 375.922 2.109 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1nscc1I ZINC000906199003 654420308 /nfs/dbraw/zinc/42/03/08/654420308.db2.gz LWTRVCHUUGRQDM-NXEZZACHSA-N 1 0 377.251 2.104 20 0 GEADRO Cc1nn(C)c2nc(Cl)c(C[NH2+]CC3C[C@H]4CC[C@@H](C3)S4(=O)=O)cc12 ZINC000873171315 654420421 /nfs/dbraw/zinc/42/04/21/654420421.db2.gz JSUYQSLPUIVCPR-QXMXGUDHSA-N 1 0 382.917 2.376 20 0 GEADRO Ic1cnc(C[NH2+]C[C@H]2CCN2C2CCOCC2)s1 ZINC000922955526 654421472 /nfs/dbraw/zinc/42/14/72/654421472.db2.gz YZZOUQGUVBDNTH-LLVKDONJSA-N 1 0 393.294 2.091 20 0 GEADRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cn(C)nc2Br)c1 ZINC000873194705 654422260 /nfs/dbraw/zinc/42/22/60/654422260.db2.gz IXVAZWXOGDHFQO-BMIGLBTASA-N 1 0 384.274 2.412 20 0 GEADRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000873197102 654422427 /nfs/dbraw/zinc/42/24/27/654422427.db2.gz VRZSLSHJUZRLQK-HWPZZCPQSA-N 1 0 384.274 2.412 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H](O)c1ccnn1C ZINC000922973752 654422865 /nfs/dbraw/zinc/42/28/65/654422865.db2.gz RMTXXKIZURFOPC-INIZCTEOSA-N 1 0 398.301 2.421 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnnn1-c1ccccc1Br ZINC000906241742 654423506 /nfs/dbraw/zinc/42/35/06/654423506.db2.gz XYFHBTISWCGHOU-OLZOCXBDSA-N 1 0 390.285 2.386 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1nscc1I ZINC000906241354 654423518 /nfs/dbraw/zinc/42/35/18/654423518.db2.gz UUHPOWLRJVSNOY-BDAKNGLRSA-N 1 0 377.251 2.104 20 0 GEADRO Cc1cc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cnc1Br ZINC000873317592 654424380 /nfs/dbraw/zinc/42/43/80/654424380.db2.gz QOBUDRHILRELPO-ZDUSSCGKSA-N 1 0 383.290 2.433 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873315130 654424487 /nfs/dbraw/zinc/42/44/87/654424487.db2.gz NJGJCROUCGWRBN-GFCCVEGCSA-N 1 0 383.290 2.433 20 0 GEADRO Cc1nccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000873321179 654424706 /nfs/dbraw/zinc/42/47/06/654424706.db2.gz IPPHVALMAWQZII-IUCAKERBSA-N 1 0 381.196 2.175 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3C[C@H](O)C34CCOCC4)cnc12 ZINC000923018019 654424831 /nfs/dbraw/zinc/42/48/31/654424831.db2.gz DRRRKBVVMYXNBR-CABCVRRESA-N 1 0 380.286 2.425 20 0 GEADRO CC1([NH+]2CCCC2)CCC(NC(=O)NCC[S@@](=O)CC(F)(F)F)CC1 ZINC000923185967 654430624 /nfs/dbraw/zinc/43/06/24/654430624.db2.gz GXRGZCGPEVQECJ-OYQJBCTPSA-N 1 0 383.480 2.394 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(C2SCCS2)cc1 ZINC000855697545 654434497 /nfs/dbraw/zinc/43/44/97/654434497.db2.gz UMAIQBXXIPPBAJ-UHFFFAOYSA-N 1 0 381.567 2.257 20 0 GEADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000894031678 654440757 /nfs/dbraw/zinc/44/07/57/654440757.db2.gz IDZRYOALHBKZKL-NWANDNLSSA-N 1 0 390.343 2.013 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000894031806 654441163 /nfs/dbraw/zinc/44/11/63/654441163.db2.gz LQRUIMJWLYODEV-KCQAQPDRSA-N 1 0 390.343 2.013 20 0 GEADRO COC(=O)c1cc(Br)c(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000923332334 654444947 /nfs/dbraw/zinc/44/49/47/654444947.db2.gz LEZGVLKORDFYKF-XEGUGMAKSA-N 1 0 383.286 2.413 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000873663402 654445644 /nfs/dbraw/zinc/44/56/44/654445644.db2.gz FTWOCLPPSMYCIJ-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873664409 654446187 /nfs/dbraw/zinc/44/61/87/654446187.db2.gz VYIJPGCUWDGPQN-LLVKDONJSA-N 1 0 398.301 2.169 20 0 GEADRO COC(=O)c1cc(Br)c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000923358967 654446354 /nfs/dbraw/zinc/44/63/54/654446354.db2.gz NLFUMBIBNANBKG-IAQYHMDHSA-N 1 0 383.286 2.428 20 0 GEADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923359635 654446504 /nfs/dbraw/zinc/44/65/04/654446504.db2.gz ABBCOBLQQSLTJH-OSMZGAPFSA-N 1 0 375.694 2.136 20 0 GEADRO CC[NH+]1CCN(Cc2ccc(NCc3nc(Br)nn3C)cc2)CC1 ZINC000894102590 654447068 /nfs/dbraw/zinc/44/70/68/654447068.db2.gz MRNBKLRLHIYPTQ-UHFFFAOYSA-N 1 0 393.333 2.327 20 0 GEADRO C[NH+](C)CCOc1cccc(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c1 ZINC000906537482 654447471 /nfs/dbraw/zinc/44/74/71/654447471.db2.gz ZBZYMESRKCNOAG-CYBMUJFWSA-N 1 0 383.703 2.364 20 0 GEADRO COCC[NH2+]C1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923387255 654448478 /nfs/dbraw/zinc/44/84/78/654448478.db2.gz HWGZIWUQTQSISA-OAHLLOKOSA-N 1 0 377.312 2.434 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([NH2+]CCO)C2)c(Br)c1 ZINC000923404371 654450188 /nfs/dbraw/zinc/45/01/88/654450188.db2.gz IOIIWFPGEHNQRQ-KBPBESRZSA-N 1 0 384.318 2.131 20 0 GEADRO Cc1nc2ccccc2n1CC[NH2+]Cc1c(I)cnn1C ZINC000894154099 654450628 /nfs/dbraw/zinc/45/06/28/654450628.db2.gz RJFJKZUPBCEGNJ-UHFFFAOYSA-N 1 0 395.248 2.473 20 0 GEADRO C[N@H+](CCNC(=O)c1nscc1I)C1CCCC1 ZINC000906582532 654450852 /nfs/dbraw/zinc/45/08/52/654450852.db2.gz PJSHLSZODKKMNO-UHFFFAOYSA-N 1 0 379.267 2.352 20 0 GEADRO COc1ccc(OCC[NH2+]Cc2cn(C)nc2I)cc1 ZINC000894157820 654451204 /nfs/dbraw/zinc/45/12/04/654451204.db2.gz JFHFHXHQUMQKEK-UHFFFAOYSA-N 1 0 387.221 2.202 20 0 GEADRO CCc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000873718304 654453722 /nfs/dbraw/zinc/45/37/22/654453722.db2.gz MKEUGAJNLAOHRW-CYBMUJFWSA-N 1 0 382.302 2.408 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)C1 ZINC000906619244 654454020 /nfs/dbraw/zinc/45/40/20/654454020.db2.gz PNEPBTTYSQMFOQ-GFCCVEGCSA-N 1 0 384.267 2.025 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906621285 654454037 /nfs/dbraw/zinc/45/40/37/654454037.db2.gz BTCPOYNZPAIEEH-LBPRGKRZSA-N 1 0 378.274 2.101 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1cn(C)nc1I ZINC000894199702 654454986 /nfs/dbraw/zinc/45/49/86/654454986.db2.gz CUFOIIGOWOADLO-VXGBXAGGSA-N 1 0 376.286 2.235 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000873732148 654456000 /nfs/dbraw/zinc/45/60/00/654456000.db2.gz JUSIZELWCZDEMI-MFKMUULPSA-N 1 0 396.285 2.189 20 0 GEADRO C[C@@H](CNCc1cn(C)nc1I)[NH+]1CCC(C)CC1 ZINC000894208384 654456461 /nfs/dbraw/zinc/45/64/61/654456461.db2.gz HIBLBLICKWHBJZ-LBPRGKRZSA-N 1 0 376.286 2.235 20 0 GEADRO C[C@@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC000923502223 654457279 /nfs/dbraw/zinc/45/72/79/654457279.db2.gz AKHUWIGTCRQONQ-OLZOCXBDSA-N 1 0 375.332 2.140 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000894241214 654458328 /nfs/dbraw/zinc/45/83/28/654458328.db2.gz WBAZZNZHHTUBQO-LLVKDONJSA-N 1 0 388.310 2.314 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cc2ccnc(Cl)c2s1)N1CCSCC1 ZINC000894233430 654458386 /nfs/dbraw/zinc/45/83/86/654458386.db2.gz HNVPRJCHNHDLIJ-UHFFFAOYSA-N 1 0 391.971 2.418 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000906673840 654459158 /nfs/dbraw/zinc/45/91/58/654459158.db2.gz YKLPOEJFBKGNCJ-UHFFFAOYSA-N 1 0 381.933 2.014 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1I ZINC000906687435 654459799 /nfs/dbraw/zinc/45/97/99/654459799.db2.gz YNRYHCDCQLXTTR-NSHDSACASA-N 1 0 390.269 2.019 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000906688594 654460142 /nfs/dbraw/zinc/46/01/42/654460142.db2.gz GYPCSEOZMUNRRM-UHFFFAOYSA-N 1 0 397.317 2.315 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1)C(C)C ZINC000906690870 654461223 /nfs/dbraw/zinc/46/12/23/654461223.db2.gz LOTJLVOGGJIUKO-UHFFFAOYSA-N 1 0 383.905 2.041 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)cc1Br ZINC000906699024 654462049 /nfs/dbraw/zinc/46/20/49/654462049.db2.gz BBQRUKRIBCZGEE-LBPRGKRZSA-N 1 0 386.315 2.224 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000906699068 654462103 /nfs/dbraw/zinc/46/21/03/654462103.db2.gz BVESMFQMOCZRLS-CYBMUJFWSA-N 1 0 391.269 2.050 20 0 GEADRO Cn1cc(C[NH2+]C[C@](C)(O)c2cccs2)c(I)n1 ZINC000894281187 654462115 /nfs/dbraw/zinc/46/21/15/654462115.db2.gz MBSROFJNYYCYJB-LBPRGKRZSA-N 1 0 377.251 2.084 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000906702257 654462588 /nfs/dbraw/zinc/46/25/88/654462588.db2.gz WPULWJNQBBBFMZ-NSHDSACASA-N 1 0 375.803 2.037 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1nscc1I ZINC000906714521 654463405 /nfs/dbraw/zinc/46/34/05/654463405.db2.gz HVCOEILDUOOASN-SECBINFHSA-N 1 0 379.267 2.352 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906715526 654463840 /nfs/dbraw/zinc/46/38/40/654463840.db2.gz VMNCYRYHFRLZST-UHFFFAOYSA-N 1 0 384.249 2.175 20 0 GEADRO CCc1cnc(CC[NH2+]Cc2cn(C)nc2I)s1 ZINC000894314827 654464671 /nfs/dbraw/zinc/46/46/71/654464671.db2.gz KREXVTDYTYEBTI-UHFFFAOYSA-N 1 0 376.267 2.376 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c(I)n1 ZINC000894313735 654464711 /nfs/dbraw/zinc/46/47/11/654464711.db2.gz VPZHZOHLYDFVRC-IJLUTSLNSA-N 1 0 375.254 2.318 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1Cl)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906727385 654465140 /nfs/dbraw/zinc/46/51/40/654465140.db2.gz MRPAGQGVWLFPFW-MDSUWVFBSA-N 1 0 390.640 2.189 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)ccc1Br ZINC000906734503 654465609 /nfs/dbraw/zinc/46/56/09/654465609.db2.gz HCILBTUOOCFHOJ-LBPRGKRZSA-N 1 0 384.274 2.045 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000906739955 654466405 /nfs/dbraw/zinc/46/64/05/654466405.db2.gz PKKZHTDMGATCIV-XWEPSHTISA-N 1 0 394.191 2.260 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)c1cnnn1-c1ccccc1Br ZINC000906749054 654467792 /nfs/dbraw/zinc/46/77/92/654467792.db2.gz IOSTVGCASISMAL-UHFFFAOYSA-N 1 0 380.290 2.444 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC[C@]34CC[NH2+]C4)cc2s1 ZINC000906757725 654468663 /nfs/dbraw/zinc/46/86/63/654468663.db2.gz PKEGIIIWGGDSBJ-QGZVFWFLSA-N 1 0 376.507 2.311 20 0 GEADRO C[C@@H]([NH2+]Cc1cn(C)nc1I)[C@H](O)Cc1ccccc1 ZINC000894357873 654468913 /nfs/dbraw/zinc/46/89/13/654468913.db2.gz DBNNHSDNCXCCIM-BXUZGUMPSA-N 1 0 385.249 2.106 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873822316 654469203 /nfs/dbraw/zinc/46/92/03/654469203.db2.gz CHRWRJWTZKBNFC-UHFFFAOYSA-N 1 0 393.285 2.440 20 0 GEADRO COc1ccc([C@@H](C)NS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000923582813 654469966 /nfs/dbraw/zinc/46/99/66/654469966.db2.gz NYWMRVSINGCJQL-ZYHUDNBSSA-N 1 0 377.304 2.190 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000873830622 654470122 /nfs/dbraw/zinc/47/01/22/654470122.db2.gz KXQOPZZVCWXULI-RISCZKNCSA-N 1 0 398.301 2.195 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c(I)n1 ZINC000894370397 654470437 /nfs/dbraw/zinc/47/04/37/654470437.db2.gz KPHMRRXZNDXVQU-MXWKQRLJSA-N 1 0 395.335 2.494 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906772722 654470677 /nfs/dbraw/zinc/47/06/77/654470677.db2.gz RAZLPQNYEGTIPO-MRXNPFEDSA-N 1 0 384.249 2.190 20 0 GEADRO Cn1ncc(I)c1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000894384583 654471687 /nfs/dbraw/zinc/47/16/87/654471687.db2.gz NOBFJRIRIBXGNY-UHFFFAOYSA-N 1 0 376.286 2.424 20 0 GEADRO Cn1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c(I)n1 ZINC000894384452 654471690 /nfs/dbraw/zinc/47/16/90/654471690.db2.gz MJAVAHVTVDXWRG-UHFFFAOYSA-N 1 0 376.286 2.424 20 0 GEADRO CC(C)(C)OC(=O)NCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894386836 654472103 /nfs/dbraw/zinc/47/21/03/654472103.db2.gz MXFHKFJDEWUBDO-UHFFFAOYSA-N 1 0 376.910 2.247 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906791692 654472671 /nfs/dbraw/zinc/47/26/71/654472671.db2.gz KWFZXUKCLVECQV-NHYWBVRUSA-N 1 0 382.302 2.358 20 0 GEADRO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000923630402 654472848 /nfs/dbraw/zinc/47/28/48/654472848.db2.gz YEMVYJCANRFHOA-MNOVXSKESA-N 1 0 383.461 2.423 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856252968 654473158 /nfs/dbraw/zinc/47/31/58/654473158.db2.gz BTWXXOUAGJACPL-KRWDZBQOSA-N 1 0 381.314 2.358 20 0 GEADRO O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254309 654473262 /nfs/dbraw/zinc/47/32/62/654473262.db2.gz UTWMZEWKFIZNNO-LBPRGKRZSA-N 1 0 377.794 2.425 20 0 GEADRO O=S(=O)(c1occc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923645995 654473381 /nfs/dbraw/zinc/47/33/81/654473381.db2.gz QSSFRUYCWUHVKJ-NWDGAFQWSA-N 1 0 377.304 2.442 20 0 GEADRO C[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1cc(F)c(Br)cc1F ZINC000923659412 654474214 /nfs/dbraw/zinc/47/42/14/654474214.db2.gz IKRWMNJEFTYVBN-IUCAKERBSA-N 1 0 383.258 2.460 20 0 GEADRO C[C@H](NC(=O)C[C@H](O)C(Cl)(Cl)Cl)C1([NH+]2CCOCC2)CCCC1 ZINC000906815709 654475051 /nfs/dbraw/zinc/47/50/51/654475051.db2.gz ONBJNTKGYDCJHS-RYUDHWBXSA-N 1 0 387.735 2.257 20 0 GEADRO C[NH+]1CCC(NS(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000906812461 654475177 /nfs/dbraw/zinc/47/51/77/654475177.db2.gz QJTANDYJQODQCK-MRXNPFEDSA-N 1 0 387.343 2.320 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000923679122 654475402 /nfs/dbraw/zinc/47/54/02/654475402.db2.gz BXWXZOXAJKQHGE-HUUCEWRRSA-N 1 0 389.315 2.268 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br)C[NH+](C)C ZINC000873889738 654478030 /nfs/dbraw/zinc/47/80/30/654478030.db2.gz DFVOQSDZOHPODZ-QMMMGPOBSA-N 1 0 394.672 2.494 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H](CC[NH3+])C2)cc1Br ZINC000923697364 654478298 /nfs/dbraw/zinc/47/82/98/654478298.db2.gz NOZMZYBWANITNO-LLVKDONJSA-N 1 0 377.304 2.207 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923696737 654478310 /nfs/dbraw/zinc/47/83/10/654478310.db2.gz ZRQRGAKJHYSSKI-VIFPVBQESA-N 1 0 397.722 2.471 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](CC[NH3+])C2)c(Cl)cc1Cl ZINC000923696425 654478370 /nfs/dbraw/zinc/47/83/70/654478370.db2.gz BSNMWSZODWAEQQ-VIFPVBQESA-N 1 0 381.281 2.139 20 0 GEADRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cs1 ZINC000894471472 654478848 /nfs/dbraw/zinc/47/88/48/654478848.db2.gz SODIENGYSBHPIC-UHFFFAOYSA-N 1 0 380.491 2.364 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923700679 654478991 /nfs/dbraw/zinc/47/89/91/654478991.db2.gz WLMYGKJUNDMMNY-MNOVXSKESA-N 1 0 377.304 2.063 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923700681 654479016 /nfs/dbraw/zinc/47/90/16/654479016.db2.gz WLMYGKJUNDMMNY-WDEREUQCSA-N 1 0 377.304 2.063 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)oc1Cl ZINC000906851237 654479247 /nfs/dbraw/zinc/47/92/47/654479247.db2.gz DAZSYZHNDROISI-UHFFFAOYSA-N 1 0 390.889 2.359 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923702417 654479385 /nfs/dbraw/zinc/47/93/85/654479385.db2.gz KXSAFACGGYBCIR-UONOGXRCSA-N 1 0 390.933 2.361 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923705259 654479864 /nfs/dbraw/zinc/47/98/64/654479864.db2.gz ZFRIVBJUTNMLCR-NEPJUHHUSA-N 1 0 391.331 2.204 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000923736166 654481719 /nfs/dbraw/zinc/48/17/19/654481719.db2.gz IZJCWMDZYHIZEB-BZPMIXESSA-N 1 0 376.906 2.159 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C(F)(F)F ZINC000894506648 654481910 /nfs/dbraw/zinc/48/19/10/654481910.db2.gz RMZUZGWJKKFWOE-IGQOVBAYSA-N 1 0 385.448 2.311 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000923737678 654482335 /nfs/dbraw/zinc/48/23/35/654482335.db2.gz YVCOWQLMOHOHNR-GZBFAFLISA-N 1 0 388.917 2.161 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)CC)s2)C1 ZINC000894516070 654482544 /nfs/dbraw/zinc/48/25/44/654482544.db2.gz ZTLCFDGKFBPXSQ-CQSZACIVSA-N 1 0 387.571 2.415 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c(Br)nc2n1CCC2 ZINC000856476337 654482808 /nfs/dbraw/zinc/48/28/08/654482808.db2.gz VRPITXNBRQPNPS-CYBMUJFWSA-N 1 0 381.318 2.444 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)c2cn(-c3ccccc3Br)nn2)CC[NH2+]1 ZINC000856484586 654483161 /nfs/dbraw/zinc/48/31/61/654483161.db2.gz DYMIRDTZBPAVGM-ZDUSSCGKSA-N 1 0 378.274 2.100 20 0 GEADRO CC(C)[C@H]1CN(C(=O)c2ccnc(Cl)c2I)CC[NH2+]1 ZINC000856488846 654483301 /nfs/dbraw/zinc/48/33/01/654483301.db2.gz FWWMTQSUVUATBE-SNVBAGLBSA-N 1 0 393.656 2.410 20 0 GEADRO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1I)c1ccnn1C ZINC000894537125 654484001 /nfs/dbraw/zinc/48/40/01/654484001.db2.gz ITSUVVBCRSADAU-GFCCVEGCSA-N 1 0 387.269 2.288 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cnc2ccccc2c1Br)[NH+](C)C ZINC000873940959 654485858 /nfs/dbraw/zinc/48/58/58/654485858.db2.gz YVGORKHIBJIGPD-LLVKDONJSA-N 1 0 393.285 2.392 20 0 GEADRO CN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@H+](C)CC1 ZINC000894576201 654487933 /nfs/dbraw/zinc/48/79/33/654487933.db2.gz UFBQLQZXUUWJRM-DLBZAZTESA-N 1 0 395.345 2.194 20 0 GEADRO CO[C@@H](C(=O)NCC[NH+]1CCC(OC)CC1)c1ccc(Br)s1 ZINC000906930801 654489052 /nfs/dbraw/zinc/48/90/52/654489052.db2.gz RHBDOESROAUYTP-CQSZACIVSA-N 1 0 391.331 2.425 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000873984454 654490874 /nfs/dbraw/zinc/49/08/74/654490874.db2.gz BJDHMZCTBWGOLB-UHFFFAOYSA-N 1 0 395.301 2.260 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000894670263 654493759 /nfs/dbraw/zinc/49/37/59/654493759.db2.gz FIYCZTGREXWQRD-INIZCTEOSA-N 1 0 384.318 2.344 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2nscc2I)C1 ZINC000906967069 654494174 /nfs/dbraw/zinc/49/41/74/654494174.db2.gz NRQGTEBZJFVVKJ-JTQLQIEISA-N 1 0 393.294 2.455 20 0 GEADRO Cc1ccnc(N)c1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000894745229 654496413 /nfs/dbraw/zinc/49/64/13/654496413.db2.gz DBRTUCJUAXWKDA-UHFFFAOYSA-N 1 0 389.308 2.347 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)c1cc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000906987443 654496423 /nfs/dbraw/zinc/49/64/23/654496423.db2.gz LBVMRYORLRXCQY-INIZCTEOSA-N 1 0 381.567 2.452 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]C2CCS(=O)CC2)cc1Br ZINC000894749928 654496979 /nfs/dbraw/zinc/49/69/79/654496979.db2.gz DROMLQSQNCRGJD-QSLFRCLVSA-N 1 0 390.343 2.109 20 0 GEADRO COC(=O)c1cnc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)s1 ZINC000894753228 654497288 /nfs/dbraw/zinc/49/72/88/654497288.db2.gz RIZGBLATOMUHHB-UHFFFAOYSA-N 1 0 382.873 2.306 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000894768140 654498090 /nfs/dbraw/zinc/49/80/90/654498090.db2.gz FMZWXPANZHQSPR-LRVUVFPRSA-N 1 0 390.343 2.074 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856878696 654499470 /nfs/dbraw/zinc/49/94/70/654499470.db2.gz YWIABBNNNFRLBH-BLLLJJGKSA-N 1 0 394.313 2.145 20 0 GEADRO Cn1cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c(I)n1 ZINC000894789215 654499487 /nfs/dbraw/zinc/49/94/87/654499487.db2.gz DGJIIUABCXBUFV-GDBMZVCRSA-N 1 0 397.260 2.281 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000894788891 654499524 /nfs/dbraw/zinc/49/95/24/654499524.db2.gz CVYCIVTUXUAAJN-CZUORRHYSA-N 1 0 397.260 2.281 20 0 GEADRO C[NH+](C)CC1(c2nc(CNC(=O)c3ccc(Br)cc3)no2)CC1 ZINC000924070761 654499878 /nfs/dbraw/zinc/49/98/78/654499878.db2.gz WKUGLBQORUBFHM-UHFFFAOYSA-N 1 0 379.258 2.355 20 0 GEADRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)C1(F)F ZINC000894848558 654502149 /nfs/dbraw/zinc/50/21/49/654502149.db2.gz IFGBJAXOLGEISA-ZHAHWJHGSA-N 1 0 382.176 2.266 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000894861996 654502728 /nfs/dbraw/zinc/50/27/28/654502728.db2.gz QWUVWJXGOYEDTR-LBPRGKRZSA-N 1 0 377.270 2.303 20 0 GEADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]C[C@@H]2COCO2)c1 ZINC000894888994 654503983 /nfs/dbraw/zinc/50/39/83/654503983.db2.gz MWPPCQABRDATRR-OAHLLOKOSA-N 1 0 391.295 2.167 20 0 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CC[NH2+]CC1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000911861593 654734352 /nfs/dbraw/zinc/73/43/52/654734352.db2.gz KUGGFNDGLLWYNI-UHFFFAOYSA-N 1 0 381.274 2.493 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)c1nnn(-c2ccccc2Br)c1C ZINC000911863236 654734362 /nfs/dbraw/zinc/73/43/62/654734362.db2.gz BRSUUJHAFVXCLC-GFCCVEGCSA-N 1 0 378.274 2.162 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(Br)cnc1Br ZINC000911869639 654734573 /nfs/dbraw/zinc/73/45/73/654734573.db2.gz YYLLVQJKHHKZKR-VIFPVBQESA-N 1 0 377.080 2.431 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2cnn3cccc(Br)c23)CC1 ZINC000911875184 654734764 /nfs/dbraw/zinc/73/47/64/654734764.db2.gz KOGPZBSNIHEOBU-UHFFFAOYSA-N 1 0 381.274 2.067 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)nn1-c1ccccc1Br ZINC000911884504 654735236 /nfs/dbraw/zinc/73/52/36/654735236.db2.gz QWPJNEUIWIQBHX-MLGOLLRUSA-N 1 0 393.285 2.131 20 0 GEADRO Cc1cc(I)ccc1NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000911918594 654735978 /nfs/dbraw/zinc/73/59/78/654735978.db2.gz BQWYNJLLJVZHMX-ZDUSSCGKSA-N 1 0 386.233 2.307 20 0 GEADRO O=C(Nc1ccc(I)cc1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911926415 654736427 /nfs/dbraw/zinc/73/64/27/654736427.db2.gz ZDBIOHCBYGCYFH-UHFFFAOYSA-N 1 0 385.205 2.128 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000911941444 654736883 /nfs/dbraw/zinc/73/68/83/654736883.db2.gz AFZNBURMFHSPIO-UHFFFAOYSA-N 1 0 391.256 2.456 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC000911946617 654737161 /nfs/dbraw/zinc/73/71/61/654737161.db2.gz NMBMTYRGYNFALN-UHFFFAOYSA-N 1 0 394.313 2.388 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000911945823 654737196 /nfs/dbraw/zinc/73/71/96/654737196.db2.gz JZGLHCRTJJCJHT-UHFFFAOYSA-N 1 0 392.244 2.055 20 0 GEADRO CCOC(=O)CSc1nnc(NC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)s1 ZINC000911970825 654738275 /nfs/dbraw/zinc/73/82/75/654738275.db2.gz JLZHTUPWLAHQIH-GMXVVIOVSA-N 1 0 384.527 2.300 20 0 GEADRO Brc1nnc(-c2ccc(N3CC[NH+]([C@@H]4CCOC4)CC3)cc2)o1 ZINC000911989819 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O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)Nc1ccccc1SC(F)(F)F ZINC000912256077 654748125 /nfs/dbraw/zinc/74/81/25/654748125.db2.gz QWEDGAVSCFPYEX-GBIKHYSHSA-N 1 0 394.440 2.260 20 0 GEADRO O=C(Cc1cccnc1Br)NC1CC[NH+](C2CCOCC2)CC1 ZINC000912346911 654750715 /nfs/dbraw/zinc/75/07/15/654750715.db2.gz INWYBQFDPUANSJ-UHFFFAOYSA-N 1 0 382.302 2.146 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000912394270 654752250 /nfs/dbraw/zinc/75/22/50/654752250.db2.gz LQMFHCKSHWUHAP-MXASKKJJSA-N 1 0 382.913 2.026 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000912395331 654752484 /nfs/dbraw/zinc/75/24/84/654752484.db2.gz NTLZKUJBRYZEJQ-MRXNPFEDSA-N 1 0 396.329 2.383 20 0 GEADRO CCCOc1ccc(Cl)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC000912449552 654754380 /nfs/dbraw/zinc/75/43/80/654754380.db2.gz PZMXTOJLNAJLTO-KFNAQCHYSA-N 1 0 386.901 2.090 20 0 GEADRO COC(=O)C[C@H](NC(=O)C1=CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000912455328 654754642 /nfs/dbraw/zinc/75/46/42/654754642.db2.gz UGZRIYNAJUPZHO-HNNXBMFYSA-N 1 0 381.270 2.479 20 0 GEADRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1c(F)cc(I)cc1F ZINC000931732389 654754902 /nfs/dbraw/zinc/75/49/02/654754902.db2.gz JFCSUHANUJSUQR-QMMMGPOBSA-N 1 0 381.164 2.395 20 0 GEADRO CN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000912463361 654755418 /nfs/dbraw/zinc/75/54/18/654755418.db2.gz PYWAGQFBWPZONL-PBHICJAKSA-N 1 0 375.296 2.332 20 0 GEADRO COc1cc(F)c(Br)cc1NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000931760848 654756010 /nfs/dbraw/zinc/75/60/10/654756010.db2.gz IBZXNFYYKQBXRD-UHFFFAOYSA-N 1 0 390.253 2.175 20 0 GEADRO Cc1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)nn1CC(F)(F)F ZINC000931764035 654756208 /nfs/dbraw/zinc/75/62/08/654756208.db2.gz MKRCECGMWGSLRM-RYUDHWBXSA-N 1 0 377.436 2.455 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000912599777 654760697 /nfs/dbraw/zinc/76/06/97/654760697.db2.gz SZILKNKJVRWLTE-UHFFFAOYSA-N 1 0 387.171 2.002 20 0 GEADRO CCO[C@H](CNC(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)C[NH+](C)C ZINC000931893897 654761139 /nfs/dbraw/zinc/76/11/39/654761139.db2.gz JNHQPVKHWFPTGA-SNVBAGLBSA-N 1 0 386.909 2.285 20 0 GEADRO C[NH+](C)CCOc1ccc(CCC(=O)NCc2n[nH]cc2Br)cc1 ZINC000931988649 654763357 /nfs/dbraw/zinc/76/33/57/654763357.db2.gz RQMDUYKIIMBQSH-UHFFFAOYSA-N 1 0 395.301 2.362 20 0 GEADRO C[C@@H](CNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[NH+]1CCCC1 ZINC000932031701 654764534 /nfs/dbraw/zinc/76/45/34/654764534.db2.gz WYCXFEUFEKDXGO-WCQYABFASA-N 1 0 380.286 2.475 20 0 GEADRO Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CCS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000912761067 654766550 /nfs/dbraw/zinc/76/65/50/654766550.db2.gz JSUXZWVVGJQUJW-ZIAGYGMSSA-N 1 0 375.918 2.288 20 0 GEADRO Cc1cc(OC[C@@H](O)C[NH2+][C@@H]2CCS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000912761063 654766575 /nfs/dbraw/zinc/76/65/75/654766575.db2.gz JSUXZWVVGJQUJW-KGLIPLIRSA-N 1 0 375.918 2.288 20 0 GEADRO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000932112821 654767367 /nfs/dbraw/zinc/76/73/67/654767367.db2.gz RFWTUDDJZRJDOM-UMVBOHGHSA-N 1 0 386.286 2.320 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@H](Cc2nccs2)C1)NC(=O)NCC(F)(F)F ZINC000932197943 654769957 /nfs/dbraw/zinc/76/99/57/654769957.db2.gz JKAXWPWOZCBJTL-LLVKDONJSA-N 1 0 378.420 2.176 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000932209920 654770383 /nfs/dbraw/zinc/77/03/83/654770383.db2.gz GYVVASYAMOIDBO-SMDDNHRTSA-N 1 0 389.315 2.144 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCOc2ccc(Br)cc21)COC[C@@H]1CCCO1 ZINC000932209090 654770450 /nfs/dbraw/zinc/77/04/50/654770450.db2.gz SGQKAMXXPIPQFW-YCPHGPKFSA-N 1 0 386.286 2.419 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918013 654774142 /nfs/dbraw/zinc/77/41/42/654774142.db2.gz SMOHTFCOHBZMSS-HZPDHXFCSA-N 1 0 379.913 2.162 20 0 GEADRO COc1cc(/C=C/C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc(Br)c1O ZINC000912921602 654774537 /nfs/dbraw/zinc/77/45/37/654774537.db2.gz JBGVKFULPRZFSO-ITDFMYJTSA-N 1 0 381.270 2.483 20 0 GEADRO C[NH+](C)C1CCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000932363526 654776388 /nfs/dbraw/zinc/77/63/88/654776388.db2.gz XEMBJMOUUMASEW-ZDUSSCGKSA-N 1 0 380.286 2.428 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000932432130 654777564 /nfs/dbraw/zinc/77/75/64/654777564.db2.gz DSZPXQMMDXJGIT-SNVBAGLBSA-N 1 0 397.273 2.386 20 0 GEADRO CCO[C@H](CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)C[NH+](C)C ZINC000932467742 654778682 /nfs/dbraw/zinc/77/86/82/654778682.db2.gz DQJAAPDSXRBNQR-GFCCVEGCSA-N 1 0 390.311 2.035 20 0 GEADRO CSCC1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000932585165 654782849 /nfs/dbraw/zinc/78/28/49/654782849.db2.gz HMHXZXPMAUEPSB-HNNXBMFYSA-N 1 0 378.604 2.063 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH+]2CCC(F)(C3CC3)CC2)CCC1 ZINC000932628837 654784168 /nfs/dbraw/zinc/78/41/68/654784168.db2.gz LSXVNRSKSJZPJV-HNNXBMFYSA-N 1 0 376.538 2.202 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000932704438 654785953 /nfs/dbraw/zinc/78/59/53/654785953.db2.gz VBLBLWDTWQLMFT-CYBMUJFWSA-N 1 0 384.318 2.214 20 0 GEADRO C[C@@H](CNC(=O)c1nccc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000932722536 654786981 /nfs/dbraw/zinc/78/69/81/654786981.db2.gz CSRWDWOVXKECHG-ZDUSSCGKSA-N 1 0 391.313 2.363 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1nscc1I ZINC000913815769 654810727 /nfs/dbraw/zinc/81/07/27/654810727.db2.gz QTZDTHORNWRRES-VHSXEESVSA-N 1 0 377.251 2.056 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000913335256 654788935 /nfs/dbraw/zinc/78/89/35/654788935.db2.gz PHFIDXPCZMLAMS-WBVHZDCISA-N 1 0 375.296 2.380 20 0 GEADRO C[NH+](C)C1(C)CCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000913392633 654790134 /nfs/dbraw/zinc/79/01/34/654790134.db2.gz AAZVFQCXICKZSY-UHFFFAOYSA-N 1 0 388.331 2.183 20 0 GEADRO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](CCCN2CCOCC2)C1 ZINC000932809489 654791183 /nfs/dbraw/zinc/79/11/83/654791183.db2.gz KLMGWGCJLCYTMW-SFHVURJKSA-N 1 0 383.330 2.455 20 0 GEADRO O[C@@]1(c2ccc(Br)cc2)CCCN(Cc2nnnn2C2CC2)C1 ZINC000932808991 654791208 /nfs/dbraw/zinc/79/12/08/654791208.db2.gz JNGYWRKZBGFSRC-INIZCTEOSA-N 1 0 378.274 2.254 20 0 GEADRO C[N@H+](C[C@@H](O)CN1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819437 654792162 /nfs/dbraw/zinc/79/21/62/654792162.db2.gz WZQMNWNRVBPPEH-MSOLQXFVSA-N 1 0 383.330 2.188 20 0 GEADRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000932952959 654797152 /nfs/dbraw/zinc/79/71/52/654797152.db2.gz SNTRYNBYBSRQKR-LLVKDONJSA-N 1 0 384.299 2.108 20 0 GEADRO O=C(NCc1ccncc1Br)C1CCC([NH+]2CCOCC2)CC1 ZINC000913531364 654797294 /nfs/dbraw/zinc/79/72/94/654797294.db2.gz MEMZAMNGHISGDS-UHFFFAOYSA-N 1 0 382.302 2.351 20 0 GEADRO COc1ccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1SC(F)(F)F ZINC000932954105 654797364 /nfs/dbraw/zinc/79/73/64/654797364.db2.gz ALAMWEKTHMCGDW-LLVKDONJSA-N 1 0 384.445 2.418 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000913676255 654803780 /nfs/dbraw/zinc/80/37/80/654803780.db2.gz PLVHGINQYCCNSP-UHFFFAOYSA-N 1 0 391.256 2.456 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000913676741 654803791 /nfs/dbraw/zinc/80/37/91/654803791.db2.gz JEZGKDWVKDPHDP-UHFFFAOYSA-N 1 0 376.682 2.026 20 0 GEADRO CC(C)[C@H]1CN(C(=O)c2nscc2I)CC[N@@H+]1C ZINC000913761249 654808204 /nfs/dbraw/zinc/80/82/04/654808204.db2.gz DXGSMZWOLFJMHE-SNVBAGLBSA-N 1 0 379.267 2.160 20 0 GEADRO COC[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)c1cccc(Br)c1 ZINC000913764178 654808220 /nfs/dbraw/zinc/80/82/20/654808220.db2.gz GIBLWKSVYIMIDK-OAHLLOKOSA-N 1 0 395.301 2.325 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H](O)c1cccc(Br)c1 ZINC000913770634 654808647 /nfs/dbraw/zinc/80/86/47/654808647.db2.gz WWJRFWLBVRWSJV-INIZCTEOSA-N 1 0 397.313 2.053 20 0 GEADRO C[C@H](C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1)CS(C)(=O)=O ZINC000933436299 654812898 /nfs/dbraw/zinc/81/28/98/654812898.db2.gz CJFHXJFFQRZOCH-IUODEOHRSA-N 1 0 378.332 2.013 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CCCNC(=O)C(F)(F)F ZINC000933437655 654813209 /nfs/dbraw/zinc/81/32/09/654813209.db2.gz BGDCEEUJKUOQSQ-AWEZNQCLSA-N 1 0 397.235 2.401 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)n(C)n1 ZINC000933437309 654813218 /nfs/dbraw/zinc/81/32/18/654813218.db2.gz MAWOBLMGDUJLFZ-KRWDZBQOSA-N 1 0 395.301 2.013 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCc1ccccn1 ZINC000933438431 654813364 /nfs/dbraw/zinc/81/33/64/654813364.db2.gz XBHHFXLZRUSPRJ-GOSISDBHSA-N 1 0 392.297 2.044 20 0 GEADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000933442651 654813750 /nfs/dbraw/zinc/81/37/50/654813750.db2.gz MOGZOSVANRULGC-SFHVURJKSA-N 1 0 382.913 2.113 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000933441885 654813754 /nfs/dbraw/zinc/81/37/54/654813754.db2.gz PUQSBLIKUFCGKH-SJORKVTESA-N 1 0 386.330 2.388 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000933491357 654815032 /nfs/dbraw/zinc/81/50/32/654815032.db2.gz MHMILHDVFYUBMY-UHFFFAOYSA-N 1 0 381.274 2.090 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1ccc(Br)s1 ZINC000913902746 654815082 /nfs/dbraw/zinc/81/50/82/654815082.db2.gz JLPOWHCFMNLVIW-ZDUSSCGKSA-N 1 0 379.345 2.416 20 0 GEADRO CN(Cc1ccc(Br)o1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913916053 654815790 /nfs/dbraw/zinc/81/57/90/654815790.db2.gz WNILFPVNQAMTTB-AWEZNQCLSA-N 1 0 377.304 2.290 20 0 GEADRO NS(=O)(=O)c1ccc(C2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000933553184 654816637 /nfs/dbraw/zinc/81/66/37/654816637.db2.gz FCORGNFNHZCPLA-UHFFFAOYSA-N 1 0 380.432 2.482 20 0 GEADRO O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000933595004 654817592 /nfs/dbraw/zinc/81/75/92/654817592.db2.gz PFOKVKJGBHHLQD-CQSZACIVSA-N 1 0 381.318 2.469 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000913969550 654819349 /nfs/dbraw/zinc/81/93/49/654819349.db2.gz VXERSFMCVBEZIQ-LLVKDONJSA-N 1 0 377.279 2.244 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000913969551 654819547 /nfs/dbraw/zinc/81/95/47/654819547.db2.gz VXERSFMCVBEZIQ-NSHDSACASA-N 1 0 377.279 2.244 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(CCS(=O)(=O)c3cccc(Br)c3)C[C@]2(C)C1 ZINC000933741035 654824759 /nfs/dbraw/zinc/82/47/59/654824759.db2.gz ZPJWEVQWTMMOQP-CJNGLKHVSA-N 1 0 387.343 2.106 20 0 GEADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccc(Br)cc1F)C2 ZINC000933760234 654826907 /nfs/dbraw/zinc/82/69/07/654826907.db2.gz XCPPEXWJIFRXKE-QFYYESIMSA-N 1 0 384.249 2.114 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c1F ZINC000914111444 654827353 /nfs/dbraw/zinc/82/73/53/654827353.db2.gz HBINDLRDFGKHNY-JTQLQIEISA-N 1 0 395.294 2.169 20 0 GEADRO CC[N@H+](CCC(=O)NC)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000933868222 654828555 /nfs/dbraw/zinc/82/85/55/654828555.db2.gz XUMFJOYTAYWKNT-ZDUSSCGKSA-N 1 0 384.318 2.254 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)NCc2cnc(Br)cn2)c1 ZINC000914141408 654829479 /nfs/dbraw/zinc/82/94/79/654829479.db2.gz HRLIIUCMWGGAHV-UHFFFAOYSA-N 1 0 378.274 2.300 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000914150500 654829960 /nfs/dbraw/zinc/82/99/60/654829960.db2.gz OQEYMGNPEWSENR-KBPBESRZSA-N 1 0 382.306 2.061 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000933919843 654830204 /nfs/dbraw/zinc/83/02/04/654830204.db2.gz NZSNCZLYWOLFKL-GFCCVEGCSA-N 1 0 382.921 2.014 20 0 GEADRO OCC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C1CCCC1 ZINC000934011895 654834228 /nfs/dbraw/zinc/83/42/28/654834228.db2.gz QZEGANKHDDHOTE-CQSZACIVSA-N 1 0 380.290 2.456 20 0 GEADRO COC(=O)C[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C(C)(C)C ZINC000934028636 654834481 /nfs/dbraw/zinc/83/44/81/654834481.db2.gz GRXVQPHAJVVBBU-ZDUSSCGKSA-N 1 0 396.289 2.492 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000934164962 654837409 /nfs/dbraw/zinc/83/74/09/654837409.db2.gz LZUSQACBFCTFJK-UHFFFAOYSA-N 1 0 390.272 2.483 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccccc1SC(F)(F)F ZINC000934183350 654838074 /nfs/dbraw/zinc/83/80/74/654838074.db2.gz RRNWUVOGFFKMSW-UHFFFAOYSA-N 1 0 377.432 2.325 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1F ZINC000914241874 654838154 /nfs/dbraw/zinc/83/81/54/654838154.db2.gz VIUCOJQBJFWUKX-KOLCDFICSA-N 1 0 395.294 2.167 20 0 GEADRO Cn1cc(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(Br)n1 ZINC000914270883 654840456 /nfs/dbraw/zinc/84/04/56/654840456.db2.gz IIRMPVCMXOLLAR-AWEZNQCLSA-N 1 0 398.280 2.424 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934257381 654840548 /nfs/dbraw/zinc/84/05/48/654840548.db2.gz IFDDEAIVHUTNTH-XYPHTWIQSA-N 1 0 396.329 2.307 20 0 GEADRO O=C(CC[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO)Nc1ccc(Br)cc1 ZINC000934259661 654840572 /nfs/dbraw/zinc/84/05/72/654840572.db2.gz QWWUCUNOMFAYDC-IRXDYDNUSA-N 1 0 396.329 2.309 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934261228 654840771 /nfs/dbraw/zinc/84/07/71/654840771.db2.gz PYSMFLSGTVBGQO-XOKHGSTOSA-N 1 0 396.329 2.307 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000934263071 654841027 /nfs/dbraw/zinc/84/10/27/654841027.db2.gz AWNXTIYNRIXLNK-BRWVUGGUSA-N 1 0 387.293 2.153 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000934263930 654841289 /nfs/dbraw/zinc/84/12/89/654841289.db2.gz KRKICZFUDSXCEU-NSHDSACASA-N 1 0 385.306 2.461 20 0 GEADRO OCCN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000934267341 654841892 /nfs/dbraw/zinc/84/18/92/654841892.db2.gz AJRLGYWKSFYZHH-NXHRZFHOSA-N 1 0 389.323 2.264 20 0 GEADRO COC(=O)c1ccc(Br)c(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000934271442 654842419 /nfs/dbraw/zinc/84/24/19/654842419.db2.gz FWWFVAMRNULEFR-IAGOWNOFSA-N 1 0 397.313 2.267 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cnc(Br)cn1 ZINC000914298758 654843051 /nfs/dbraw/zinc/84/30/51/654843051.db2.gz GCUPBYQAJZREAX-CQSZACIVSA-N 1 0 392.301 2.211 20 0 GEADRO COC1CC[NH+](CCNC(=O)c2cc3cc(Br)cnc3n2C)CC1 ZINC000934305981 654843550 /nfs/dbraw/zinc/84/35/50/654843550.db2.gz UCUUIMDEWPPAJL-UHFFFAOYSA-N 1 0 395.301 2.176 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000934332493 654845069 /nfs/dbraw/zinc/84/50/69/654845069.db2.gz FUYBPIPRNWDEQP-UHFFFAOYSA-N 1 0 399.333 2.493 20 0 GEADRO COC(=O)C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1cccc(Br)c1 ZINC000914339334 654846864 /nfs/dbraw/zinc/84/68/64/654846864.db2.gz JDARQZJKUZNZBQ-UONOGXRCSA-N 1 0 384.274 2.057 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cnc(Br)cn1 ZINC000914356611 654847867 /nfs/dbraw/zinc/84/78/67/654847867.db2.gz LOYHJIZWFUENLW-JHJVBQTASA-N 1 0 384.322 2.405 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1ccc(Br)cc1 ZINC000934408848 654849134 /nfs/dbraw/zinc/84/91/34/654849134.db2.gz MPEOBPLMAVWZTI-HOCLYGCPSA-N 1 0 386.286 2.117 20 0 GEADRO C[C@](CO)([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000934496961 654851209 /nfs/dbraw/zinc/85/12/09/654851209.db2.gz FLNKGGKGDFJIOH-FUHWJXTLSA-N 1 0 397.313 2.026 20 0 GEADRO COc1ccc(C[N@H+](CCCO)C[C@@H](O)c2cc(Br)no2)cc1 ZINC000934501249 654851691 /nfs/dbraw/zinc/85/16/91/654851691.db2.gz FWWNNDVGIYWHKR-CQSZACIVSA-N 1 0 385.258 2.364 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000914416106 654852406 /nfs/dbraw/zinc/85/24/06/654852406.db2.gz HZDYXUXZJLTCPZ-UHFFFAOYSA-N 1 0 384.274 2.114 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)NCc2ncc(Br)cn2)CC1 ZINC000914435256 654854272 /nfs/dbraw/zinc/85/42/72/654854272.db2.gz AHYDLBWRRUFYKZ-UHFFFAOYSA-N 1 0 382.306 2.399 20 0 GEADRO CCc1nccn1C[C@H]1CCCN1C(=O)NCc1ncc(Br)cn1 ZINC000914435935 654854493 /nfs/dbraw/zinc/85/44/93/654854493.db2.gz MMQPKJRNMMGKNA-CYBMUJFWSA-N 1 0 393.289 2.372 20 0 GEADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000914444390 654854656 /nfs/dbraw/zinc/85/46/56/654854656.db2.gz USCFKZIAMSYHLX-LSDHHAIUSA-N 1 0 387.571 2.138 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000934726484 654856304 /nfs/dbraw/zinc/85/63/04/654856304.db2.gz SLBBNAHRVDIJHO-CYBMUJFWSA-N 1 0 397.317 2.346 20 0 GEADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CCCNC(=O)OC(C)(C)C)CC1 ZINC000934752401 654858014 /nfs/dbraw/zinc/85/80/14/654858014.db2.gz PEOPDBPSINCTJD-VWLOTQADSA-N 1 0 376.567 2.188 20 0 GEADRO Cc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cnc1Br ZINC000934786112 654859866 /nfs/dbraw/zinc/85/98/66/654859866.db2.gz VXWUTDSFRKTSSY-OAHLLOKOSA-N 1 0 382.302 2.479 20 0 GEADRO OC[C@@H]([NH2+]CC1(O)CCSCC1)c1ccccc1I ZINC000934825400 654861305 /nfs/dbraw/zinc/86/13/05/654861305.db2.gz DIJTTWMIWYNYKF-CYBMUJFWSA-N 1 0 393.290 2.172 20 0 GEADRO OC[C@H]([NH2+]CCC1OCCCO1)c1ccccc1I ZINC000934829689 654862849 /nfs/dbraw/zinc/86/28/49/654862849.db2.gz RDVBWNNSDLDAGT-ZDUSSCGKSA-N 1 0 377.222 2.067 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=S)NCCCN1CCOCC1)c1ccsc1 ZINC000915126490 654863497 /nfs/dbraw/zinc/86/34/97/654863497.db2.gz GKUXCNBKQGLSQH-KRWDZBQOSA-N 1 0 384.615 2.317 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000934938725 654867008 /nfs/dbraw/zinc/86/70/08/654867008.db2.gz OJMGNOYBQVCLFD-UHFFFAOYSA-N 1 0 381.274 2.390 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(Br)[nH]c1=O ZINC000934938203 654867018 /nfs/dbraw/zinc/86/70/18/654867018.db2.gz BLIMEORTPYZXST-UHFFFAOYSA-N 1 0 394.269 2.459 20 0 GEADRO CCOc1ccc(Br)c(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1F ZINC000934964675 654868272 /nfs/dbraw/zinc/86/82/72/654868272.db2.gz FTTKDQRHMUNWNC-MFKMUULPSA-N 1 0 389.265 2.436 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cnc1Br ZINC000935017164 654871374 /nfs/dbraw/zinc/87/13/74/654871374.db2.gz KWMSBBIGCLZOQF-QLFBSQMISA-N 1 0 382.302 2.476 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000915593662 654874426 /nfs/dbraw/zinc/87/44/26/654874426.db2.gz UXRXUFIOJUOTTJ-CYBMUJFWSA-N 1 0 383.290 2.089 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(Br)cn4ncnc34)C2)CC1 ZINC000935084908 654874807 /nfs/dbraw/zinc/87/48/07/654874807.db2.gz IIYDYHOPZNAGBO-ZDUSSCGKSA-N 1 0 392.301 2.296 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C3(n4cc(Br)cn4)CC3)C2)CC1 ZINC000935085436 654874810 /nfs/dbraw/zinc/87/48/10/654874810.db2.gz QHGFKCDXJRJZAI-CQSZACIVSA-N 1 0 381.318 2.325 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000915628119 654875315 /nfs/dbraw/zinc/87/53/15/654875315.db2.gz VHVCUHFZYJUYIQ-GQCTYLIASA-N 1 0 399.285 2.447 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)Cc3cccc(F)c3Br)C2)C1 ZINC000915850193 654880783 /nfs/dbraw/zinc/88/07/83/654880783.db2.gz OAVLKJBIMFTIML-OAHLLOKOSA-N 1 0 391.306 2.446 20 0 GEADRO C[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)[C@@H](C)C[N@@H+]1C ZINC000935189514 654880827 /nfs/dbraw/zinc/88/08/27/654880827.db2.gz KEIGDUMKCJHTOA-SUNKGSAMSA-N 1 0 380.286 2.426 20 0 GEADRO S=C(NC[C@H]1CC[N@H+](CCN2CCOCC2)C1)Nc1ccc(Cl)cc1 ZINC000916017490 654884992 /nfs/dbraw/zinc/88/49/92/654884992.db2.gz BNVVYIHMMQIMPW-OAHLLOKOSA-N 1 0 382.961 2.281 20 0 GEADRO Cc1cc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cnc1Br ZINC000935448742 654894040 /nfs/dbraw/zinc/89/40/40/654894040.db2.gz NZASXFRFDVVSPN-UHFFFAOYSA-N 1 0 383.334 2.298 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)n1 ZINC000935532676 654898723 /nfs/dbraw/zinc/89/87/23/654898723.db2.gz OIEZINCCLNVPDK-LBPRGKRZSA-N 1 0 399.333 2.280 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccccc1[S@@](=O)C(F)(F)F ZINC000935779533 654916170 /nfs/dbraw/zinc/91/61/70/654916170.db2.gz DICWKHZEBFNEJL-XELLLNAOSA-N 1 0 380.432 2.137 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cnn2cccc(Br)c12 ZINC000936009964 654933754 /nfs/dbraw/zinc/93/37/54/654933754.db2.gz RXAKRTHGHNPPMR-UHFFFAOYSA-N 1 0 396.333 2.052 20 0 GEADRO Cc1nc(Cl)sc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC000949516049 654939505 /nfs/dbraw/zinc/93/95/05/654939505.db2.gz KPBYAHGLRAWYNY-OJAKKHQRSA-N 1 0 384.933 2.022 20 0 GEADRO Cc1sc(Cl)nc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC000995911509 654946999 /nfs/dbraw/zinc/94/69/99/654946999.db2.gz YQOBVHXXEKMDPD-VOAKCMCISA-N 1 0 382.917 2.061 20 0 GEADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1Cl)C2)C1CCC1 ZINC000996597273 654948866 /nfs/dbraw/zinc/94/88/66/654948866.db2.gz WHRPEJBCMREHPT-AGIUHOORSA-N 1 0 382.917 2.143 20 0 GEADRO O=C1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)CC2(CC[NH2+]CC2)N1 ZINC001164389482 718809373 /nfs/dbraw/zinc/80/93/73/718809373.db2.gz IZIJKARFCCGDDC-UHFFFAOYSA-N 1 0 380.826 2.492 20 0 GEADRO Clc1nc2c(c(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164391902 718822452 /nfs/dbraw/zinc/82/24/52/718822452.db2.gz XSFPJEYSLMZMAW-SJLPKXTDSA-N 1 0 385.899 2.213 20 0 GEADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164408669 718854028 /nfs/dbraw/zinc/85/40/28/718854028.db2.gz SENCVJFCFRPXPU-RHSMWYFYSA-N 1 0 380.826 2.360 20 0 GEADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164406397 718854904 /nfs/dbraw/zinc/85/49/04/718854904.db2.gz NUCHYWFWERIJMX-SJCJKPOMSA-N 1 0 398.816 2.499 20 0 GEADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164400937 718861763 /nfs/dbraw/zinc/86/17/63/718861763.db2.gz BLWYKILDWPVTFA-OLZOCXBDSA-N 1 0 387.862 2.090 20 0 GEADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415550 718885952 /nfs/dbraw/zinc/88/59/52/718885952.db2.gz KKPHUYGBRQEWCT-UHFFFAOYSA-N 1 0 394.857 2.459 20 0 GEADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424753 718914435 /nfs/dbraw/zinc/91/44/35/718914435.db2.gz PFTWJNNROWHUNP-QGZVFWFLSA-N 1 0 398.841 2.413 20 0 GEADRO C[NH+]1CCN(c2ccc(N3CCC4(CC(=O)c5ccc(F)cc54)CC3)nn2)CC1 ZINC001164423351 718936642 /nfs/dbraw/zinc/93/66/42/718936642.db2.gz IELLOZQAOYSUIE-UHFFFAOYSA-N 1 0 395.482 2.492 20 0 GEADRO C(c1nc2sc3c(c2c(N2CCC[C@@H]4[NH2+]C[C@@H]42)n1)CCCC3)N1CCOCC1 ZINC001164450242 718999309 /nfs/dbraw/zinc/99/93/09/718999309.db2.gz SSYWKALLXKRQKI-HOTGVXAUSA-N 1 0 399.564 2.343 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(N(C)C)n3)CC2)CC1 ZINC001164618378 719027231 /nfs/dbraw/zinc/02/72/31/719027231.db2.gz UYHVSZKIJLHSOE-UHFFFAOYSA-N 1 0 395.935 2.440 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3[nH+][n-]c(Cl)c4ncnc3-4)CC2)CC1 ZINC001164616975 719028717 /nfs/dbraw/zinc/02/87/17/719028717.db2.gz GPUNVYAEDNBTHE-UHFFFAOYSA-N 1 0 392.891 2.250 20 0 GEADRO CS(=O)(=O)c1cc(C(F)(F)N2CCC(C3C[NH2+]C3)CC2)cnc1Cl ZINC001164616212 719038285 /nfs/dbraw/zinc/03/82/85/719038285.db2.gz UMDDLCSUPQKJAE-UHFFFAOYSA-N 1 0 379.860 2.119 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001164640769 719179022 /nfs/dbraw/zinc/17/90/22/719179022.db2.gz VZGXIAMMZUAFMZ-GJZGRUSLSA-N 1 0 385.493 2.197 20 0 GEADRO C[C@@H]1CN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)[C@@H](C)C[N@@H+]1C ZINC001164642627 719226079 /nfs/dbraw/zinc/22/60/79/719226079.db2.gz WWKQIHFGFUMBPQ-KGLIPLIRSA-N 1 0 376.482 2.201 20 0 GEADRO COCCN1CCN(C)C2(CCN(c3[nH+]c(C)cc4ccccc43)CC2)C1=O ZINC001164637869 719277116 /nfs/dbraw/zinc/27/71/16/719277116.db2.gz AIHRPTWXZBWCHN-UHFFFAOYSA-N 1 0 382.508 2.303 20 0 GEADRO O=C1CCCN1[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@@H]2CCCO[C@H]12 ZINC001164653164 719304619 /nfs/dbraw/zinc/30/46/19/719304619.db2.gz OVIRXVGJGLRGKD-JQVVWYNYSA-N 1 0 384.524 2.284 20 0 GEADRO CC(C)n1nc(CN(C)C)c2c1CN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164649072 719308515 /nfs/dbraw/zinc/30/85/15/719308515.db2.gz TWFJRRJTRIVIIX-UHFFFAOYSA-N 1 0 389.935 2.177 20 0 GEADRO C[N@@H+]1CCO[C@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@H]21 ZINC001164665233 719379323 /nfs/dbraw/zinc/37/93/23/719379323.db2.gz AKFJLJAZCZAFDO-SJORKVTESA-N 1 0 386.883 2.184 20 0 GEADRO C[N@H+](Cc1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@H]32)nc1)C1CC1 ZINC001164677303 719543095 /nfs/dbraw/zinc/54/30/95/719543095.db2.gz CIYFZNYOHIQBNZ-RLLQIKCJSA-N 1 0 384.524 2.282 20 0 GEADRO O=C([C@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)CC12CCOCC2)N1CC=CC1 ZINC001164676637 719559693 /nfs/dbraw/zinc/55/96/93/719559693.db2.gz DJVLXSPKNWNLJX-HXUWFJFHSA-N 1 0 396.535 2.309 20 0 GEADRO CCOC(=O)/C=C\c1cccnc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685025 719605556 /nfs/dbraw/zinc/60/55/56/719605556.db2.gz 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CC[NH+]1CCN(CCCNC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000153022990 531582945 /nfs/dbraw/zinc/58/29/45/531582945.db2.gz BENQMXBRVVZHJD-MRXNPFEDSA-N 1 0 396.329 2.069 20 0 GEADRO O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CC[NH+](C2CC2)CC1 ZINC000021653455 531587150 /nfs/dbraw/zinc/58/71/50/531587150.db2.gz OZJVMRBPRWNSKY-UHFFFAOYSA-N 1 0 377.794 2.264 20 0 GEADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000153098791 531588641 /nfs/dbraw/zinc/58/86/41/531588641.db2.gz BYRGDLPTFBNWAM-UHFFFAOYSA-N 1 0 377.963 2.194 20 0 GEADRO CC[NH+](CC)Cc1cccc(NC(=O)Cc2ccc(S(N)(=O)=O)s2)c1 ZINC000024928027 531611795 /nfs/dbraw/zinc/61/17/95/531611795.db2.gz UNIDTIGCILEGEA-UHFFFAOYSA-N 1 0 381.523 2.419 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153925301 531612332 /nfs/dbraw/zinc/61/23/32/531612332.db2.gz NCCQYDMRHQYVNE-BBRMVZONSA-N 1 0 394.313 2.086 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)Cc2cc(Br)ccc2F)CC1 ZINC000153823747 531609888 /nfs/dbraw/zinc/60/98/88/531609888.db2.gz 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CC[NH+](CC)[C@@H](CNC(=O)CSc1nnnn1C1CC1)c1ccsc1 ZINC000041441120 531664764 /nfs/dbraw/zinc/66/47/64/531664764.db2.gz PZAWLURGGZGXIC-AWEZNQCLSA-N 1 0 380.543 2.361 20 0 GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000041685010 531666763 /nfs/dbraw/zinc/66/67/63/531666763.db2.gz YLJFVNCFNJWNCS-NSHDSACASA-N 1 0 379.320 2.466 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc(I)cc1 ZINC000044571677 531681489 /nfs/dbraw/zinc/68/14/89/531681489.db2.gz GPXADNSCCKMFFC-ZDUSSCGKSA-N 1 0 388.249 2.271 20 0 GEADRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000155395965 531681795 /nfs/dbraw/zinc/68/17/95/531681795.db2.gz ZMCMBOMFRDWSCQ-CYBMUJFWSA-N 1 0 392.924 2.334 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000045944191 531695962 /nfs/dbraw/zinc/69/59/62/531695962.db2.gz DJCOFEIXGAAMGR-ZDUSSCGKSA-N 1 0 384.527 2.134 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000155559983 531690811 /nfs/dbraw/zinc/69/08/11/531690811.db2.gz 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O=C(COc1ccccc1Br)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000122365548 532067381 /nfs/dbraw/zinc/06/73/81/532067381.db2.gz SOUCRFQHRPUFHA-CQSZACIVSA-N 1 0 397.313 2.445 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000174576856 532071142 /nfs/dbraw/zinc/07/11/42/532071142.db2.gz QHSFHQBYHPUESC-LBPRGKRZSA-N 1 0 398.301 2.196 20 0 GEADRO CC[C@@H]1CN(C(=O)c2cc(OC)ccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000174620183 532073359 /nfs/dbraw/zinc/07/33/59/532073359.db2.gz UKSBBDZQCFOAET-CHWSQXEVSA-N 1 0 385.302 2.375 20 0 GEADRO CC[NH+](CC)CCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000122494798 532073380 /nfs/dbraw/zinc/07/33/80/532073380.db2.gz DTUUOAUPAJHLAG-UHFFFAOYSA-N 1 0 381.278 2.493 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccncc1Br ZINC000122516187 532073416 /nfs/dbraw/zinc/07/34/16/532073416.db2.gz YNSWQLWQNYAQPJ-JKSUJKDBSA-N 1 0 382.302 2.342 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CC1 ZINC000122509041 532072719 /nfs/dbraw/zinc/07/27/19/532072719.db2.gz 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ZINC000175176066 532091458 /nfs/dbraw/zinc/09/14/58/532091458.db2.gz ITFXFPJEFRQXEO-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](C)CC2)c(Cl)cc1Cl ZINC000175195109 532092698 /nfs/dbraw/zinc/09/26/98/532092698.db2.gz NIXLVJWMQVZEQS-UHFFFAOYSA-N 1 0 381.281 2.153 20 0 GEADRO COC(=O)[C@@H](C)CS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000175335763 532099503 /nfs/dbraw/zinc/09/95/03/532099503.db2.gz XPBNPZGOWFBKAL-LSDHHAIUSA-N 1 0 388.555 2.250 20 0 GEADRO COc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000175217361 532093644 /nfs/dbraw/zinc/09/36/44/532093644.db2.gz AXAQDOFJBQMBND-NSHDSACASA-N 1 0 389.315 2.220 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000175218130 532093873 /nfs/dbraw/zinc/09/38/73/532093873.db2.gz ZQKBOIDAKZZOSK-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000123250202 532096906 /nfs/dbraw/zinc/09/69/06/532096906.db2.gz YPIWYPDKTISNPO-LBPRGKRZSA-N 1 0 398.276 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20 0 GEADRO COc1cc(C(=O)N2CCC(OCCC[NH3+])CC2)sc1Br ZINC000124469010 532121759 /nfs/dbraw/zinc/12/17/59/532121759.db2.gz KIRXRRZMYIDFAD-UHFFFAOYSA-N 1 0 377.304 2.489 20 0 GEADRO CC(C)(O)C[NH+]1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000124460820 532121908 /nfs/dbraw/zinc/12/19/08/532121908.db2.gz IUNYFNMDWWCRGZ-UHFFFAOYSA-N 1 0 384.318 2.166 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)Cn2cc(Br)ccc2=O)([NH+](C)C)C1 ZINC000124488013 532123299 /nfs/dbraw/zinc/12/32/99/532123299.db2.gz CDVWKCOYAMFLGF-DYVFJYSZSA-N 1 0 384.318 2.238 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000124546559 532124302 /nfs/dbraw/zinc/12/43/02/532124302.db2.gz CDCPKPIEJBONOU-ZWNOBZJWSA-N 1 0 377.869 2.233 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000123988507 532112009 /nfs/dbraw/zinc/11/20/09/532112009.db2.gz MIEVFFSNYPILGH-UHFFFAOYSA-N 1 0 379.302 2.298 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176073913 532124632 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Cn1ccc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)c1 ZINC000124862035 532130803 /nfs/dbraw/zinc/13/08/03/532130803.db2.gz JTRIZDZLQVZOOQ-CQSZACIVSA-N 1 0 386.233 2.159 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(OC)cc2Br)CC1 ZINC000124827223 532131168 /nfs/dbraw/zinc/13/11/68/532131168.db2.gz WKEFFZKGTLUZPA-CQSZACIVSA-N 1 0 398.345 2.461 20 0 GEADRO CN(CC[NH+](C)C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000176350497 532135015 /nfs/dbraw/zinc/13/50/15/532135015.db2.gz IQNWKTGMYNDEQV-UHFFFAOYSA-N 1 0 399.333 2.001 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)oc1C ZINC000176794334 532150647 /nfs/dbraw/zinc/15/06/47/532150647.db2.gz HDRKUWHVTIMGEJ-UHFFFAOYSA-N 1 0 386.495 2.189 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000127425182 532153561 /nfs/dbraw/zinc/15/35/61/532153561.db2.gz ZUUFEVNPTNDFNN-UHFFFAOYSA-N 1 0 387.933 2.148 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1cc(Br)ccc1OC ZINC000176893589 532153862 /nfs/dbraw/zinc/15/38/62/532153862.db2.gz 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ZINC000176923268 532156019 /nfs/dbraw/zinc/15/60/19/532156019.db2.gz ZKZBMGVSYOWJCI-UHFFFAOYSA-N 1 0 380.341 2.298 20 0 GEADRO COc1cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)ccc1Br ZINC000176975139 532157670 /nfs/dbraw/zinc/15/76/70/532157670.db2.gz XANDUPDQZYYJKY-UHFFFAOYSA-N 1 0 398.282 2.498 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000127961466 532159609 /nfs/dbraw/zinc/15/96/09/532159609.db2.gz MJGYXZXDPBDUIF-UHFFFAOYSA-N 1 0 378.217 2.170 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000128108885 532161642 /nfs/dbraw/zinc/16/16/42/532161642.db2.gz FYDXLGPBEQAXIC-LBPRGKRZSA-N 1 0 383.286 2.385 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000128209006 532162459 /nfs/dbraw/zinc/16/24/59/532162459.db2.gz PYTBSSGCRWNMEP-KGLIPLIRSA-N 1 0 399.276 2.364 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)CC)CCOc1ccc(Br)cc1 ZINC000129720447 532183288 /nfs/dbraw/zinc/18/32/88/532183288.db2.gz XNYLSEOVGVFXSD-UHFFFAOYSA-N 1 0 379.320 2.089 20 0 GEADRO Cc1cc(Cl)ccc1C[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000129830425 532184739 /nfs/dbraw/zinc/18/47/39/532184739.db2.gz MRWJKORORXHIJA-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CCC(=O)NC(C)C)ccc1S(=O)(=O)C(F)F ZINC000177867349 532185450 /nfs/dbraw/zinc/18/54/50/532185450.db2.gz UDSKTTQJODVKIY-LLVKDONJSA-N 1 0 378.441 2.257 20 0 GEADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000128986742 532171199 /nfs/dbraw/zinc/17/11/99/532171199.db2.gz GCQXRFDUWSDEEP-SECBINFHSA-N 1 0 398.120 2.194 20 0 GEADRO Cc1cc(NC(=O)CN2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000129182044 532173719 /nfs/dbraw/zinc/17/37/19/532173719.db2.gz JPORLKRMYWMADH-HNNXBMFYSA-N 1 0 396.329 2.350 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000129169141 532174083 /nfs/dbraw/zinc/17/40/83/532174083.db2.gz QIQAZCOOKRACIT-UHFFFAOYSA-N 1 0 390.272 2.485 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000129232466 532175277 /nfs/dbraw/zinc/17/52/77/532175277.db2.gz YGTCZYNWZTVWEM-CQSZACIVSA-N 1 0 377.304 2.126 20 0 GEADRO C[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000129360953 532177085 /nfs/dbraw/zinc/17/70/85/532177085.db2.gz SEJILYVPJKZUEN-GFCCVEGCSA-N 1 0 380.341 2.049 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178110918 532193894 /nfs/dbraw/zinc/19/38/94/532193894.db2.gz SGNGYFVDVSSPPR-LSDHHAIUSA-N 1 0 397.313 2.397 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000131358685 532196453 /nfs/dbraw/zinc/19/64/53/532196453.db2.gz LCHUZTZMJINQHN-BZNIZROVSA-N 1 0 390.297 2.131 20 0 GEADRO CC(C)(O)C[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000129943998 532186462 /nfs/dbraw/zinc/18/64/62/532186462.db2.gz XVCZKZFRAVTZEF-UHFFFAOYSA-N 1 0 399.329 2.499 20 0 GEADRO CNC(=O)C[NH+]1CCC(N[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)CC1 ZINC000129951779 532186514 /nfs/dbraw/zinc/18/65/14/532186514.db2.gz ICENIHLXEXVNJE-MRXNPFEDSA-N 1 0 388.295 2.008 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1CC[NH+](C)CC1 ZINC000129934106 532186653 /nfs/dbraw/zinc/18/66/53/532186653.db2.gz RMMRALFKDRZYHH-JTQLQIEISA-N 1 0 388.331 2.087 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000130011751 532187818 /nfs/dbraw/zinc/18/78/18/532187818.db2.gz VIZWBTJFCXYNIF-CYBMUJFWSA-N 1 0 379.306 2.293 20 0 GEADRO C[C@@H](CNC(=O)c1cc(F)c(F)cc1Br)C[NH+]1CCN(C)CC1 ZINC000130029771 532188243 /nfs/dbraw/zinc/18/82/43/532188243.db2.gz DQSXIWOITRLRJD-NSHDSACASA-N 1 0 390.272 2.341 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1=O ZINC000177979523 532188848 /nfs/dbraw/zinc/18/88/48/532188848.db2.gz SOXDGUWUPDSGGD-ZDUSSCGKSA-N 1 0 383.290 2.240 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178558525 532204917 /nfs/dbraw/zinc/20/49/17/532204917.db2.gz VDEUEIBAKSUIGG-QMMMGPOBSA-N 1 0 394.640 2.374 20 0 GEADRO O=C(CCCOc1ccc(I)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000178779763 532212910 /nfs/dbraw/zinc/21/29/10/532212910.db2.gz WFMZQCZLWMKPLP-ZDUSSCGKSA-N 1 0 388.249 2.318 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000132306884 532213014 /nfs/dbraw/zinc/21/30/14/532213014.db2.gz ABJMWNIOEYRGSP-MNOVXSKESA-N 1 0 377.304 2.206 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH3+])C2)c(Cl)cc1Cl ZINC000132330308 532213528 /nfs/dbraw/zinc/21/35/28/532213528.db2.gz JBRARYFVZQELQE-JTQLQIEISA-N 1 0 394.324 2.101 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000178857253 532214788 /nfs/dbraw/zinc/21/47/88/532214788.db2.gz NVUOCKWAIIKMHD-JSGCOSHPSA-N 1 0 394.313 2.388 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000178849918 532214886 /nfs/dbraw/zinc/21/48/86/532214886.db2.gz FZQIPPFEAUCTQT-NSHDSACASA-N 1 0 376.906 2.381 20 0 GEADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)cnc1Cl ZINC000178898936 532216280 /nfs/dbraw/zinc/21/62/80/532216280.db2.gz ZOODNSSACWZDJW-ULKQDVFKSA-N 1 0 380.695 2.059 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178926635 532217822 /nfs/dbraw/zinc/21/78/22/532217822.db2.gz TVWSOHMDMKNHJV-LLVKDONJSA-N 1 0 382.507 2.436 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1Cl ZINC000178948737 532218760 /nfs/dbraw/zinc/21/87/60/532218760.db2.gz SPXXKXOZRUTDKJ-MRVPVSSYSA-N 1 0 383.695 2.094 20 0 GEADRO Cc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)n1 ZINC000178392770 532201283 /nfs/dbraw/zinc/20/12/83/532201283.db2.gz LFSYPFWWJRUKGU-CYBMUJFWSA-N 1 0 383.290 2.339 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000131639424 532201466 /nfs/dbraw/zinc/20/14/66/532201466.db2.gz BFOHAIDPWJIFAV-LBPRGKRZSA-N 1 0 386.315 2.369 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1cc(Cl)ccc1Br ZINC000131702414 532202068 /nfs/dbraw/zinc/20/20/68/532202068.db2.gz ZPFBGJCUILOYTP-HNNXBMFYSA-N 1 0 392.725 2.257 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC(C)(C)c1ccccc1Br ZINC000131748620 532203162 /nfs/dbraw/zinc/20/31/62/532203162.db2.gz XERIEGJPECVLLF-KRWDZBQOSA-N 1 0 386.334 2.339 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H](CO)c2cccc(Br)c2)n1 ZINC000178467034 532203269 /nfs/dbraw/zinc/20/32/69/532203269.db2.gz QFGBHPNGWIHBLR-AWEZNQCLSA-N 1 0 396.289 2.062 20 0 GEADRO CC[N@H+](Cc1cc(Br)ccc1F)Cc1cn(C)c(=O)n(C)c1=O ZINC000179328297 532228228 /nfs/dbraw/zinc/22/82/28/532228228.db2.gz OUNWOKIXCXQIEQ-UHFFFAOYSA-N 1 0 384.249 2.008 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000133181702 532228981 /nfs/dbraw/zinc/22/89/81/532228981.db2.gz MHFVRHNOWQDQFL-QMMMGPOBSA-N 1 0 380.176 2.393 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000133284694 532230430 /nfs/dbraw/zinc/23/04/30/532230430.db2.gz ZGDITHRZWLPUGA-ZFWWWQNUSA-N 1 0 380.286 2.012 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179556119 532235882 /nfs/dbraw/zinc/23/58/82/532235882.db2.gz VHIKAERCAUPIFQ-UHFFFAOYSA-N 1 0 383.290 2.162 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000179556355 532235469 /nfs/dbraw/zinc/23/54/69/532235469.db2.gz IOABAYJPGOOIQI-LBPRGKRZSA-N 1 0 397.317 2.329 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000178996824 532219774 /nfs/dbraw/zinc/21/97/74/532219774.db2.gz RRLNJKTYQHOCFF-CQSZACIVSA-N 1 0 378.897 2.135 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000179017921 532220290 /nfs/dbraw/zinc/22/02/90/532220290.db2.gz XRMRDDYPJDSQRF-DMZKTXOQSA-N 1 0 387.343 2.405 20 0 GEADRO COC(=O)C[C@@H]1CCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000179127314 532222350 /nfs/dbraw/zinc/22/23/50/532222350.db2.gz JJALQKJJZQAIFV-LBPRGKRZSA-N 1 0 389.315 2.497 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000132875596 532222546 /nfs/dbraw/zinc/22/25/46/532222546.db2.gz DFQBPTVTXQRDSM-ZDUSSCGKSA-N 1 0 377.913 2.031 20 0 GEADRO CN(C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000179123506 532222718 /nfs/dbraw/zinc/22/27/18/532222718.db2.gz BYYLSRDWBJPOEG-CQSZACIVSA-N 1 0 390.285 2.341 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000133037981 532225706 /nfs/dbraw/zinc/22/57/06/532225706.db2.gz WXEUECMGNVDFLO-OLZOCXBDSA-N 1 0 380.286 2.012 20 0 GEADRO COc1nc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ncc1Br ZINC000179261472 532226702 /nfs/dbraw/zinc/22/67/02/532226702.db2.gz IBMRICOQJDCJRU-KBPBESRZSA-N 1 0 393.285 2.295 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179651131 532240411 /nfs/dbraw/zinc/24/04/11/532240411.db2.gz LBNBADKHXYNOLH-LBPRGKRZSA-N 1 0 380.290 2.296 20 0 GEADRO CN(CCC[NH3+])S(=O)(=O)c1ccc(Br)cc1Br ZINC000133772316 532242433 /nfs/dbraw/zinc/24/24/33/532242433.db2.gz KVTASHLIOCUMQZ-UHFFFAOYSA-N 1 0 386.109 2.181 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000133823940 532243943 /nfs/dbraw/zinc/24/39/43/532243943.db2.gz DTGXBPQPHXGWJP-UHFFFAOYSA-N 1 0 379.448 2.053 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000134009775 532248102 /nfs/dbraw/zinc/24/81/02/532248102.db2.gz NBZZNHNWRJXNBU-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)n1 ZINC000179891882 532249172 /nfs/dbraw/zinc/24/91/72/532249172.db2.gz MBVKULNRJBFYCX-GXTWGEPZSA-N 1 0 395.301 2.034 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000134043575 532249380 /nfs/dbraw/zinc/24/93/80/532249380.db2.gz LZIXDUQWLNQOHO-MUBLQREKSA-N 1 0 381.270 2.444 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000134165117 532250812 /nfs/dbraw/zinc/25/08/12/532250812.db2.gz IGZQOHDHJMMHIR-LBPRGKRZSA-N 1 0 398.301 2.196 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000134165324 532251097 /nfs/dbraw/zinc/25/10/97/532251097.db2.gz IGZQOHDHJMMHIR-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c(Br)n1 ZINC000134181403 532251985 /nfs/dbraw/zinc/25/19/85/532251985.db2.gz WVMISDXROZDXHG-UHFFFAOYSA-N 1 0 383.334 2.251 20 0 GEADRO Cc1nc2[nH]c(SCC(=O)NCCC[NH+](C)C)nc2cc1Br ZINC000179989319 532253060 /nfs/dbraw/zinc/25/30/60/532253060.db2.gz FWSNZCYAZAEYHB-UHFFFAOYSA-N 1 0 386.319 2.189 20 0 GEADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000180032917 532254963 /nfs/dbraw/zinc/25/49/63/532254963.db2.gz MHTCBZZPQGTKSO-CJQITXGSSA-N 1 0 384.929 2.319 20 0 GEADRO CC[C@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)CCC[NH2+]1 ZINC000134461773 532255795 /nfs/dbraw/zinc/25/57/95/532255795.db2.gz ZBMDOLNICSAJAG-QGZVFWFLSA-N 1 0 382.302 2.217 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000134596684 532258658 /nfs/dbraw/zinc/25/86/58/532258658.db2.gz HWSXZLVHBFAXEG-CZUORRHYSA-N 1 0 396.329 2.067 20 0 GEADRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F ZINC000180257518 532263534 /nfs/dbraw/zinc/26/35/34/532263534.db2.gz DHAJATAPGPDNPT-NORZTCDRSA-N 1 0 390.908 2.458 20 0 GEADRO CC[N@H+](CCCO)CC(=O)Nc1ccc(I)cc1C ZINC000135509140 532275019 /nfs/dbraw/zinc/27/50/19/532275019.db2.gz PRKLPEHIDRPQPE-UHFFFAOYSA-N 1 0 376.238 2.242 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCSc2ccc(F)cc21)NC[C@@H]1CCCCO1 ZINC000180749771 532279972 /nfs/dbraw/zinc/27/99/72/532279972.db2.gz MOQKOVFAFHNBRY-HOCLYGCPSA-N 1 0 388.530 2.441 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)cc1 ZINC000180831941 532282202 /nfs/dbraw/zinc/28/22/02/532282202.db2.gz SAPWTAYIQVSXKS-CYBMUJFWSA-N 1 0 381.523 2.127 20 0 GEADRO CC1CC[NH+](CC(=O)NCCNC(=O)c2cccc(Br)c2)CC1 ZINC000136240495 532283920 /nfs/dbraw/zinc/28/39/20/532283920.db2.gz BYUAOEHVLXSAQK-UHFFFAOYSA-N 1 0 382.302 2.027 20 0 GEADRO Cc1cccc(S(=O)(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1Cl ZINC000180924120 532285600 /nfs/dbraw/zinc/28/56/00/532285600.db2.gz CRHYQESDTQHJST-INIZCTEOSA-N 1 0 385.961 2.439 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000180925095 532285768 /nfs/dbraw/zinc/28/57/68/532285768.db2.gz GBJSBUBFJALMMO-MRXNPFEDSA-N 1 0 385.961 2.439 20 0 GEADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1Br ZINC000181034671 532288710 /nfs/dbraw/zinc/28/87/10/532288710.db2.gz VVXSMFKIMZPZIM-CABCVRRESA-N 1 0 396.329 2.033 20 0 GEADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000181123459 532291747 /nfs/dbraw/zinc/29/17/47/532291747.db2.gz VNJYSWJMXVYNIW-MLGOLLRUSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000139037226 532291806 /nfs/dbraw/zinc/29/18/06/532291806.db2.gz RQMRMPPPFSBXJR-AAEUAGOBSA-N 1 0 383.265 2.107 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000139365828 532292727 /nfs/dbraw/zinc/29/27/27/532292727.db2.gz SZPSZTCYHLNVOD-ZDUSSCGKSA-N 1 0 383.290 2.089 20 0 GEADRO O=C(NC[C@@H](O)C(F)(F)F)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000139928368 532293762 /nfs/dbraw/zinc/29/37/62/532293762.db2.gz RATSTDCKZUIYOZ-CQSZACIVSA-N 1 0 377.432 2.323 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)C[C@H](O)C(F)(F)F ZINC000181261623 532294186 /nfs/dbraw/zinc/29/41/86/532294186.db2.gz NWQFQGPGOCBEPN-GWCFXTLKSA-N 1 0 375.416 2.498 20 0 GEADRO 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Cc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cnc1Br ZINC000182668393 532316390 /nfs/dbraw/zinc/31/63/90/532316390.db2.gz URKWCJNDQLGQGD-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cnc1Br ZINC000182682390 532316475 /nfs/dbraw/zinc/31/64/75/532316475.db2.gz KDNRNBLFASFPFT-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cc([C@H](C)[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)c(C)s1 ZINC000182739355 532316842 /nfs/dbraw/zinc/31/68/42/532316842.db2.gz MCRKWIHIOGSXBY-AWEZNQCLSA-N 1 0 389.587 2.192 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccc(Br)cc1 ZINC000182741501 532316899 /nfs/dbraw/zinc/31/68/99/532316899.db2.gz YQBWNIWYJTVAIR-UHFFFAOYSA-N 1 0 383.334 2.228 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cnc1Br ZINC000182835621 532318766 /nfs/dbraw/zinc/31/87/66/532318766.db2.gz FAVFISRXEGWCDH-CYBMUJFWSA-N 1 0 397.317 2.185 20 0 GEADRO CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000183010125 532320483 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CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000185928164 532339186 /nfs/dbraw/zinc/33/91/86/532339186.db2.gz HGWKIGSOUGQQKY-SJORKVTESA-N 1 0 385.346 2.395 20 0 GEADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186047869 532339655 /nfs/dbraw/zinc/33/96/55/532339655.db2.gz AQHPIWHZJZOQPC-GFCCVEGCSA-N 1 0 380.794 2.124 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186147684 532339913 /nfs/dbraw/zinc/33/99/13/532339913.db2.gz OYHZBIXTAIECCQ-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000186567393 532341187 /nfs/dbraw/zinc/34/11/87/532341187.db2.gz CKEYSHMEJRODPW-UHFFFAOYSA-N 1 0 384.318 2.403 20 0 GEADRO O[C@H](C[NH2+]Cc1cncc(Br)c1)COc1ccc2c(c1)OCO2 ZINC000186605493 532341281 /nfs/dbraw/zinc/34/12/81/532341281.db2.gz CLHXQIAVFJQFLD-CYBMUJFWSA-N 1 0 381.226 2.102 20 0 GEADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000186660486 532341687 /nfs/dbraw/zinc/34/16/87/532341687.db2.gz MBLPCWKBWJYAIX-LBPRGKRZSA-N 1 0 383.290 2.163 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000186705808 532341714 /nfs/dbraw/zinc/34/17/14/532341714.db2.gz OHKANHOGNAGLLM-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186777418 532341942 /nfs/dbraw/zinc/34/19/42/532341942.db2.gz VOXZZQAIUMCLMB-DAXOMENPSA-N 1 0 383.945 2.306 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc2ncc(I)n2c1 ZINC000186795709 532341988 /nfs/dbraw/zinc/34/19/88/532341988.db2.gz IAJINDJRACXPFK-UHFFFAOYSA-N 1 0 398.248 2.105 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1Cl ZINC000186835270 532342161 /nfs/dbraw/zinc/34/21/61/532342161.db2.gz VQHGLCZUQRXPAK-IUODEOHRSA-N 1 0 387.933 2.098 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000186885671 532342358 /nfs/dbraw/zinc/34/23/58/532342358.db2.gz UXLWEKMDRNNLLB-ZDUSSCGKSA-N 1 0 399.329 2.304 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1cc(Br)ccc1F ZINC000186928376 532342651 /nfs/dbraw/zinc/34/26/51/532342651.db2.gz JHAAHJHTWIHFCS-GFCCVEGCSA-N 1 0 387.293 2.434 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000187084602 532343085 /nfs/dbraw/zinc/34/30/85/532343085.db2.gz RKYJWALWGJEWIA-UHFFFAOYSA-N 1 0 386.265 2.437 20 0 GEADRO COc1c(Br)cccc1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000187079698 532343128 /nfs/dbraw/zinc/34/31/28/532343128.db2.gz MFWXHCYYMQBWNU-INIZCTEOSA-N 1 0 396.329 2.196 20 0 GEADRO COc1c(Br)cccc1CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000187079673 532343150 /nfs/dbraw/zinc/34/31/50/532343150.db2.gz MFWXHCYYMQBWNU-MRXNPFEDSA-N 1 0 396.329 2.196 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cccc(Br)c1OC ZINC000187122592 532343206 /nfs/dbraw/zinc/34/32/06/532343206.db2.gz JFWSKSOSFGAWBH-UHFFFAOYSA-N 1 0 379.320 2.219 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000187117848 532343212 /nfs/dbraw/zinc/34/32/12/532343212.db2.gz DEOUQOSADZARRH-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000183663896 532327587 /nfs/dbraw/zinc/32/75/87/532327587.db2.gz XOZMDZYHAUPULY-ZDUSSCGKSA-N 1 0 378.441 2.008 20 0 GEADRO CC(C)[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccccc1Cl ZINC000183704093 532327957 /nfs/dbraw/zinc/32/79/57/532327957.db2.gz CYIPFQMUSHZSSP-QGZVFWFLSA-N 1 0 389.949 2.024 20 0 GEADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000183734571 532328271 /nfs/dbraw/zinc/32/82/71/532328271.db2.gz QTZPGSPDIWHWKE-LBPRGKRZSA-N 1 0 376.906 2.328 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184325210 532331861 /nfs/dbraw/zinc/33/18/61/532331861.db2.gz FBOLDCHKZMUZMF-LSDHHAIUSA-N 1 0 398.345 2.359 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184312119 532332008 /nfs/dbraw/zinc/33/20/08/532332008.db2.gz MAXTWAGNUKXLOL-CQSZACIVSA-N 1 0 398.345 2.142 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000184321190 532332067 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CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)C1 ZINC000190679990 532357537 /nfs/dbraw/zinc/35/75/37/532357537.db2.gz CSBHVJWMWALCHI-GFCCVEGCSA-N 1 0 380.539 2.446 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190835581 532358192 /nfs/dbraw/zinc/35/81/92/532358192.db2.gz ZJIQPIWVWXZQIR-VIFPVBQESA-N 1 0 390.228 2.266 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000190852203 532358252 /nfs/dbraw/zinc/35/82/52/532358252.db2.gz VJOKDFUYJAFVCX-UHFFFAOYSA-N 1 0 391.331 2.346 20 0 GEADRO CCN(C)c1ccc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)cn1 ZINC000190891248 532358545 /nfs/dbraw/zinc/35/85/45/532358545.db2.gz ABNDCYKEPGSTFW-UHFFFAOYSA-N 1 0 382.917 2.259 20 0 GEADRO CN(C[C@@H](O)C(F)(F)F)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000190879138 532358582 /nfs/dbraw/zinc/35/85/82/532358582.db2.gz UWLRTIRFVWLOGX-CQSZACIVSA-N 1 0 379.810 2.263 20 0 GEADRO C[C@H](NC(=O)C[N@H+](C)C1(CO)CCOCC1)c1ccc(Br)cc1 ZINC000190994239 532359056 /nfs/dbraw/zinc/35/90/56/532359056.db2.gz 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COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000187702139 532345327 /nfs/dbraw/zinc/34/53/27/532345327.db2.gz GNPIGFGVVOJCCS-UHFFFAOYSA-N 1 0 398.301 2.257 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CCO1 ZINC000647235387 532372580 /nfs/dbraw/zinc/37/25/80/532372580.db2.gz ZCBHPQWQKKSPFB-ZBEGNZNMSA-N 1 0 399.310 2.339 20 0 GEADRO Cn1cc(N2CC[C@H]([N@H+](C)CCc3cccc(Br)c3)C2=O)cn1 ZINC000463430331 532372789 /nfs/dbraw/zinc/37/27/89/532372789.db2.gz VNLNJNDVGSATPJ-INIZCTEOSA-N 1 0 377.286 2.462 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1Br ZINC000463450075 532372863 /nfs/dbraw/zinc/37/28/63/532372863.db2.gz JTLDJOGVLJPDGB-UHFFFAOYSA-N 1 0 386.290 2.041 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647264117 532373078 /nfs/dbraw/zinc/37/30/78/532373078.db2.gz QUBHEEWLUJCZMI-DGCLKSJQSA-N 1 0 389.315 2.139 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000647263920 532373335 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C[C@H](CNC(=O)c1[nH]nc2ccc(I)cc21)[N@H+](C)C1CC1 ZINC000463478892 532375602 /nfs/dbraw/zinc/37/56/02/532375602.db2.gz NZKPDJUWUXJUAV-SECBINFHSA-N 1 0 398.248 2.380 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000647596178 532376398 /nfs/dbraw/zinc/37/63/98/532376398.db2.gz OTOIJRNXQWGYDQ-NWDGAFQWSA-N 1 0 388.693 2.105 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)NCc2cc(Cl)ccc2Br)CC1 ZINC000647596761 532376505 /nfs/dbraw/zinc/37/65/05/532376505.db2.gz NEUCNARSXIMWRV-UHFFFAOYSA-N 1 0 388.693 2.059 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000516088387 532377239 /nfs/dbraw/zinc/37/72/39/532377239.db2.gz FAKHEDOVIWPEEV-UHFFFAOYSA-N 1 0 395.294 2.312 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000516089812 532377784 /nfs/dbraw/zinc/37/77/84/532377784.db2.gz XZKYSNLOUUTMSY-SNVBAGLBSA-N 1 0 395.294 2.169 20 0 GEADRO CCc1nnc2n1C[C@@H]([NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC)CC2 ZINC000372233100 532378055 /nfs/dbraw/zinc/37/80/55/532378055.db2.gz RQBVLTCJZMAJID-ZDUSSCGKSA-N 1 0 382.917 2.392 20 0 GEADRO Cc1ccc(Br)nc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000191619854 532361635 /nfs/dbraw/zinc/36/16/35/532361635.db2.gz DDTWFOVLVKYJEH-CQSZACIVSA-N 1 0 383.334 2.154 20 0 GEADRO C[N@H+](CCN1CCOCC1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191641315 532361744 /nfs/dbraw/zinc/36/17/44/532361744.db2.gz NPFFWUWWYNXVSP-UHFFFAOYSA-N 1 0 398.345 2.050 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)s1 ZINC000515415893 532362392 /nfs/dbraw/zinc/36/23/92/532362392.db2.gz YGQNPRJTRLSIII-LLVKDONJSA-N 1 0 375.899 2.335 20 0 GEADRO O[C@@H](C[NH2+]CCOc1ncccc1F)COc1cccc(Br)c1 ZINC000515415577 532362635 /nfs/dbraw/zinc/36/26/35/532362635.db2.gz UMZMYNORDWXZMI-ZDUSSCGKSA-N 1 0 385.233 2.392 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000277754183 532363027 /nfs/dbraw/zinc/36/30/27/532363027.db2.gz QOMQSSINPNEWKT-UHFFFAOYSA-N 1 0 386.901 2.279 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@H]1[NH3+] 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CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193521687 532426042 /nfs/dbraw/zinc/42/60/42/532426042.db2.gz ADPJINBAKNWWNT-UHOFOFEASA-N 1 0 383.945 2.448 20 0 GEADRO CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)s1 ZINC000373020653 532426081 /nfs/dbraw/zinc/42/60/81/532426081.db2.gz QGUJAXVQLVARBJ-HNNXBMFYSA-N 1 0 385.555 2.070 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000681170659 532423749 /nfs/dbraw/zinc/42/37/49/532423749.db2.gz WFYHPZSVRZGXJX-LBPRGKRZSA-N 1 0 398.276 2.436 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)NCc2ccc(Br)cc2)CC1(C)C ZINC000281622773 532427981 /nfs/dbraw/zinc/42/79/81/532427981.db2.gz HRIQDBVLANKXKM-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000625422695 532428138 /nfs/dbraw/zinc/42/81/38/532428138.db2.gz SJPMITJONWOIQZ-GFCCVEGCSA-N 1 0 385.917 2.235 20 0 GEADRO CC[C@H](C(=O)NCCCNS(=O)(=O)c1ccccc1Cl)[NH+](CC)CC ZINC000466501530 532428353 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CC(=O)N[C@@H](CC(=O)N[C@H]1CCC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000193633860 532427589 /nfs/dbraw/zinc/42/75/89/532427589.db2.gz GTHILTDISHZALL-UVBJJODRSA-N 1 0 382.302 2.273 20 0 GEADRO C[C@H]1C[C@@H](S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CCO1 ZINC000295274128 532429428 /nfs/dbraw/zinc/42/94/28/532429428.db2.gz CMLTUBGUFXKNDP-BBRMVZONSA-N 1 0 376.469 2.226 20 0 GEADRO O=C(c1ccnc(Cl)c1I)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373065641 532429760 /nfs/dbraw/zinc/42/97/60/532429760.db2.gz JDPLZCDRWVNMOM-WPRPVWTQSA-N 1 0 391.640 2.164 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373065428 532430518 /nfs/dbraw/zinc/43/05/18/532430518.db2.gz GWGGIHPPABHZCY-KTKLAQCOSA-N 1 0 393.281 2.444 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000427680406 532430642 /nfs/dbraw/zinc/43/06/42/532430642.db2.gz SUBZVCWOHLAVOI-UHFFFAOYSA-N 1 0 389.949 2.055 20 0 GEADRO CCS(=O)(=O)CCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000517924934 532430934 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2.187 20 0 GEADRO CSc1ccc(-c2nsc(NC(=O)NCC[N@@H+]3CC[C@H](O)C3)n2)cc1 ZINC000626567551 532439939 /nfs/dbraw/zinc/43/99/39/532439939.db2.gz UWUMZBJDGUJGLP-LBPRGKRZSA-N 1 0 379.511 2.115 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000650177345 532440131 /nfs/dbraw/zinc/44/01/31/532440131.db2.gz UMNBVXJZKKPZMZ-UHFFFAOYSA-N 1 0 387.571 2.240 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1c(F)cccc1Br)C1CC[NH+](C)CC1 ZINC000682192776 532442211 /nfs/dbraw/zinc/44/22/11/532442211.db2.gz OFBZJUINUBRVNM-SNVBAGLBSA-N 1 0 386.265 2.373 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000682192099 532442357 /nfs/dbraw/zinc/44/23/57/532442357.db2.gz KTFSSPHJZYUBLZ-JTQLQIEISA-N 1 0 386.265 2.373 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)CCCC1 ZINC000626842292 532443135 /nfs/dbraw/zinc/44/31/35/532443135.db2.gz OXGOBSUUXXUNQU-UHFFFAOYSA-N 1 0 392.297 2.215 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000467280569 532443374 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CC1(C)CN(Cc2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1CCO ZINC000682167076 532441813 /nfs/dbraw/zinc/44/18/13/532441813.db2.gz ZYBPDYJWVHAMDF-UHFFFAOYSA-N 1 0 385.302 2.109 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000626838272 532441915 /nfs/dbraw/zinc/44/19/15/532441915.db2.gz DGSZTDYVAMXOQP-JGVFFNPUSA-N 1 0 392.656 2.424 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000282062277 532441908 /nfs/dbraw/zinc/44/19/08/532441908.db2.gz AZLIUPWRHKOQJV-UHFFFAOYSA-N 1 0 384.311 2.351 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc(OC)c(OC)cc1Br ZINC000626965368 532446931 /nfs/dbraw/zinc/44/69/31/532446931.db2.gz BFUQYOXUJRDAKU-QWHCGFSZSA-N 1 0 386.290 2.406 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)C[NH2+]1 ZINC000626965243 532447064 /nfs/dbraw/zinc/44/70/64/532447064.db2.gz XHAGBRQCKUQZAS-SWLSCSKDSA-N 1 0 397.317 2.009 20 0 GEADRO CNC(=O)c1cccc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000428229293 532448195 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2.002 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000561721736 532449652 /nfs/dbraw/zinc/44/96/52/532449652.db2.gz FLTRIGAXHGAJJR-UHFFFAOYSA-N 1 0 389.905 2.022 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000561750259 532450687 /nfs/dbraw/zinc/45/06/87/532450687.db2.gz UJZRLETYKGBLPT-CQSZACIVSA-N 1 0 379.448 2.456 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCN1CCCC1 ZINC000295474992 532450819 /nfs/dbraw/zinc/45/08/19/532450819.db2.gz RUDDEQFDHGFTKY-ZDUSSCGKSA-N 1 0 384.318 2.148 20 0 GEADRO COc1c(Br)cccc1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000373459774 532451162 /nfs/dbraw/zinc/45/11/62/532451162.db2.gz GXXSHQOBZHUSEB-SJKOYZFVSA-N 1 0 396.285 2.268 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000561768734 532451193 /nfs/dbraw/zinc/45/11/93/532451193.db2.gz XNGBUZFTVBINGH-CHWSQXEVSA-N 1 0 398.301 2.199 20 0 GEADRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1nc(C(F)(F)F)no1 ZINC000627822008 532457451 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GEADRO Cc1cc(C(=O)N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c(C)cc1Cl ZINC000373529281 532455598 /nfs/dbraw/zinc/45/55/98/532455598.db2.gz MNUPAKSSIPWYHE-OAHLLOKOSA-N 1 0 384.929 2.338 20 0 GEADRO CN(CC(=O)Nc1ccccc1I)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000562042594 532456484 /nfs/dbraw/zinc/45/64/84/532456484.db2.gz FVMYYIGVCFCOMX-ZDUSSCGKSA-N 1 0 399.276 2.398 20 0 GEADRO C[C@@H]1CN(C(=O)c2ncc(Br)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000683415970 532458187 /nfs/dbraw/zinc/45/81/87/532458187.db2.gz XKCWYWBTQDZULY-VXGBXAGGSA-N 1 0 387.347 2.004 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(Cc3csc(Cc4ccc(Cl)cc4)n3)CCN2C1=O ZINC000519183062 532458755 /nfs/dbraw/zinc/45/87/55/532458755.db2.gz HVNCGKXSSIEVKP-JKSUJKDBSA-N 1 0 376.913 2.131 20 0 GEADRO [NH3+][C@H]1C[C@H]2CN(Cc3csc(Cc4ccc(Cl)cc4)n3)CCN2C1=O ZINC000519183060 532459883 /nfs/dbraw/zinc/45/98/83/532459883.db2.gz HVNCGKXSSIEVKP-HOTGVXAUSA-N 1 0 376.913 2.131 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295588792 532460830 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Cc1ccc(Br)nc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373728640 532465672 /nfs/dbraw/zinc/46/56/72/532465672.db2.gz OVCBANJCKVNCSP-ZDUSSCGKSA-N 1 0 381.318 2.051 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000468456477 532465837 /nfs/dbraw/zinc/46/58/37/532465837.db2.gz OASIKSYJDUZNSX-UHFFFAOYSA-N 1 0 387.571 2.463 20 0 GEADRO COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592793326 532465991 /nfs/dbraw/zinc/46/59/91/532465991.db2.gz PUCFQOUVOMGLRZ-IUODEOHRSA-N 1 0 383.286 2.291 20 0 GEADRO C[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000428975502 532466160 /nfs/dbraw/zinc/46/61/60/532466160.db2.gz HNEFPVJXOYFUHP-CHWSQXEVSA-N 1 0 397.317 2.465 20 0 GEADRO COc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)sc1Br ZINC000683911749 532466644 /nfs/dbraw/zinc/46/66/44/532466644.db2.gz HKNTXTHLVSDORA-CQSZACIVSA-N 1 0 377.304 2.048 20 0 GEADRO C[N@H+](CCNC(=O)NCc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000468533903 532466676 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COc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)sc1Br ZINC000683911748 532467914 /nfs/dbraw/zinc/46/79/14/532467914.db2.gz HKNTXTHLVSDORA-AWEZNQCLSA-N 1 0 377.304 2.048 20 0 GEADRO OC[C@]1([NH2+]C[C@H]2CNc3ccnn3C2)CCc2cc(Br)ccc2C1 ZINC000628423576 532467923 /nfs/dbraw/zinc/46/79/23/532467923.db2.gz AHZCKTAZWXLWKW-ACJLOTCBSA-N 1 0 391.313 2.197 20 0 GEADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000628427926 532467995 /nfs/dbraw/zinc/46/79/95/532467995.db2.gz XXRFYZFGZCVGLJ-CHWSQXEVSA-N 1 0 377.304 2.298 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000429340550 532473441 /nfs/dbraw/zinc/47/34/41/532473441.db2.gz VIEDKSLJPHUPAA-QMMMGPOBSA-N 1 0 394.191 2.227 20 0 GEADRO CC(C)c1[nH]nc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1Br ZINC000429052102 532468902 /nfs/dbraw/zinc/46/89/02/532468902.db2.gz JPLZLKXRIMSFEM-UHFFFAOYSA-N 1 0 393.289 2.353 20 0 GEADRO C[NH+](C)CCN1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1=O ZINC000651383222 532469403 /nfs/dbraw/zinc/46/94/03/532469403.db2.gz PMGQKPYQLGYDPQ-UHFFFAOYSA-N 1 0 395.276 2.347 20 0 GEADRO CCOc1cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc(Br)c1O ZINC000628453701 532469398 /nfs/dbraw/zinc/46/93/98/532469398.db2.gz RMEWQAXNZYRJAC-BXKDBHETSA-N 1 0 378.288 2.219 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)C1 ZINC000429062928 532470047 /nfs/dbraw/zinc/47/00/47/532470047.db2.gz GICVOPKOYKTADN-ZDUSSCGKSA-N 1 0 385.555 2.170 20 0 GEADRO O=C(CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)Nc1ccc(Br)cc1F ZINC000593102734 532470037 /nfs/dbraw/zinc/47/00/37/532470037.db2.gz UYDQHWSNQLGIEI-HJTOQOCKSA-N 1 0 375.263 2.122 20 0 GEADRO C[N@H+](CC(=O)NC[C@H]1CSCCN1Cc1ccccc1)[C@H]1CCSC1 ZINC000429049889 532470079 /nfs/dbraw/zinc/47/00/79/532470079.db2.gz XFCLLEFPJAGSND-ROUUACIJSA-N 1 0 379.595 2.158 20 0 GEADRO OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CNc2ccnn2C1 ZINC000684195793 532471540 /nfs/dbraw/zinc/47/15/40/532471540.db2.gz LXQYRIIBNJPVIF-GFCCVEGCSA-N 1 0 383.265 2.321 20 0 GEADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H](O)C(F)F)CC1 ZINC000429221955 532471903 /nfs/dbraw/zinc/47/19/03/532471903.db2.gz LPNJGXPMFUIIQH-CQSZACIVSA-N 1 0 376.835 2.229 20 0 GEADRO O=C(c1ccc(I)cc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195245002 532472375 /nfs/dbraw/zinc/47/23/75/532472375.db2.gz VWKICBKNVMLLRY-DTORHVGOSA-N 1 0 376.625 2.236 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000468515846 532467414 /nfs/dbraw/zinc/46/74/14/532467414.db2.gz GWRBQMXUKPLOQB-ZDUSSCGKSA-N 1 0 387.571 2.461 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000683889056 532467483 /nfs/dbraw/zinc/46/74/83/532467483.db2.gz IXHWBANAYNZVMC-BBRMVZONSA-N 1 0 396.329 2.380 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000429004284 532467551 /nfs/dbraw/zinc/46/75/51/532467551.db2.gz DZKMCCCWLHWHHR-CYBMUJFWSA-N 1 0 380.279 2.036 20 0 GEADRO C[C@@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000519529569 532467578 /nfs/dbraw/zinc/46/75/78/532467578.db2.gz GAVJIHBDYSLCSX-DGCLKSJQSA-N 1 0 398.301 2.408 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373887463 532477528 /nfs/dbraw/zinc/47/75/28/532477528.db2.gz ZDODUGBAONCASQ-NOZJJQNGSA-N 1 0 379.707 2.475 20 0 GEADRO C[N@H+](CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@H]1CCSC1 ZINC000628906836 532477687 /nfs/dbraw/zinc/47/76/87/532477687.db2.gz YOWBIWZOXFGUEZ-JSGCOSHPSA-N 1 0 385.892 2.138 20 0 GEADRO O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000282563235 532477797 /nfs/dbraw/zinc/47/77/97/532477797.db2.gz BKCYEUOIJFSBKC-AWEZNQCLSA-N 1 0 394.313 2.056 20 0 GEADRO C[C@H](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)n1cc(Br)cn1 ZINC000628904216 532477769 /nfs/dbraw/zinc/47/77/69/532477769.db2.gz BYPDMKVBHMMXCF-CQSZACIVSA-N 1 0 399.333 2.310 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000195480384 532478209 /nfs/dbraw/zinc/47/82/09/532478209.db2.gz ZHQBYSWGZXHKJK-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@H]([NH3+])c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000429519127 532478422 /nfs/dbraw/zinc/47/84/22/532478422.db2.gz JSGISRNXSSUFIF-JTQLQIEISA-N 1 0 387.914 2.016 20 0 GEADRO O=S(=O)(Cc1cc(Cl)sc1Cl)NCCC[NH+]1CCC(O)CC1 ZINC000651569246 532478493 /nfs/dbraw/zinc/47/84/93/532478493.db2.gz QHFFRJXPUZAIDW-UHFFFAOYSA-N 1 0 387.354 2.321 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000430342659 532496717 /nfs/dbraw/zinc/49/67/17/532496717.db2.gz MDBRASVITWJRMC-SECBINFHSA-N 1 0 390.267 2.175 20 0 GEADRO C[N@@H+]1CCN(CCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000282567273 532479531 /nfs/dbraw/zinc/47/95/31/532479531.db2.gz OQMCIGXXCCSBNG-UHFFFAOYSA-N 1 0 394.368 2.439 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)C[C@@H]2CCCCC2(F)F)CC1 ZINC000562725296 532480396 /nfs/dbraw/zinc/48/03/96/532480396.db2.gz LFWYGAJIYAZLLB-HNNXBMFYSA-N 1 0 381.533 2.147 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000651842550 532496788 /nfs/dbraw/zinc/49/67/88/532496788.db2.gz OSNLROJZZPXWGI-OCCSQVGLSA-N 1 0 380.286 2.167 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000429629203 532481438 /nfs/dbraw/zinc/48/14/38/532481438.db2.gz ULHUPIWAFZRPPI-JTQLQIEISA-N 1 0 386.237 2.415 20 0 GEADRO O=S1(=O)CC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000236749840 532496883 /nfs/dbraw/zinc/49/68/83/532496883.db2.gz LGPKHPXOZAYSLE-LLVKDONJSA-N 1 0 384.299 2.364 20 0 GEADRO CCOC(=O)[C@@H](F)C1CN(C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000295860151 532482538 /nfs/dbraw/zinc/48/25/38/532482538.db2.gz DWAJOLPHJFHHIX-KGLIPLIRSA-N 1 0 378.213 2.455 20 0 GEADRO CCOC(=O)[C@@H](F)C1CN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000295860146 532482671 /nfs/dbraw/zinc/48/26/71/532482671.db2.gz DWAJOLPHJFHHIX-KBPBESRZSA-N 1 0 378.213 2.455 20 0 GEADRO COCC[C@@]1(C(=O)N(C)CCOc2ccc(Br)cc2)CC[NH2+]C1 ZINC000429751244 532482969 /nfs/dbraw/zinc/48/29/69/532482969.db2.gz XFGPISMYUQRUSN-KRWDZBQOSA-N 1 0 385.302 2.303 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(I)ccc1O ZINC000220417185 532483314 /nfs/dbraw/zinc/48/33/14/532483314.db2.gz NIGZBXVJDCLFPV-STQMWFEESA-N 1 0 386.233 2.353 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000562806022 532483404 /nfs/dbraw/zinc/48/34/04/532483404.db2.gz HZTMWSMRTNEVFN-HOTGVXAUSA-N 1 0 399.308 2.242 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429948290 532485582 /nfs/dbraw/zinc/48/55/82/532485582.db2.gz PMRSLYRXVVPMLF-SMDDNHRTSA-N 1 0 378.274 2.797 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000520035953 532486074 /nfs/dbraw/zinc/48/60/74/532486074.db2.gz RZXJDIFISGBFBU-UHFFFAOYSA-N 1 0 383.290 2.043 20 0 GEADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000374048805 532486456 /nfs/dbraw/zinc/48/64/56/532486456.db2.gz FQCUZYIMCBBIBZ-DYQSUWPFSA-N 1 0 389.315 2.315 20 0 GEADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(Br)cc1 ZINC000282660409 532486595 /nfs/dbraw/zinc/48/65/95/532486595.db2.gz BOBBBGXJOLTCOW-IUODEOHRSA-N 1 0 394.313 2.417 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000295919023 532487731 /nfs/dbraw/zinc/48/77/31/532487731.db2.gz ZZGNHRATMACIMF-SLEUVZQESA-N 1 0 385.302 2.213 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc(C)c1Br ZINC000651843283 532497057 /nfs/dbraw/zinc/49/70/57/532497057.db2.gz XYMCYFYHSZYEPO-OCCSQVGLSA-N 1 0 380.286 2.167 20 0 GEADRO Cc1cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(F)cc1Br ZINC000629354606 532488994 /nfs/dbraw/zinc/48/89/94/532488994.db2.gz URHJWAUEYUSVNF-MSRIBSCDSA-N 1 0 377.279 2.077 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nscc1Br ZINC000651698460 532489114 /nfs/dbraw/zinc/48/91/14/532489114.db2.gz RECKFUPGYUCKTQ-CYBMUJFWSA-N 1 0 396.310 2.402 20 0 GEADRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Br)ncc1F ZINC000282706925 532489428 /nfs/dbraw/zinc/48/94/28/532489428.db2.gz LDRDOHZMFSDNEV-NSHDSACASA-N 1 0 377.254 2.192 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651708422 532489374 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O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295963294 532490972 /nfs/dbraw/zinc/49/09/72/532490972.db2.gz BVVSWDJWYOPTJI-JTQLQIEISA-N 1 0 392.258 2.034 20 0 GEADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430135340 532491228 /nfs/dbraw/zinc/49/12/28/532491228.db2.gz SXRRQDWNRCIRDD-ZDUSSCGKSA-N 1 0 392.297 2.491 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3Br)C[C@@H]21 ZINC000230129936 532491736 /nfs/dbraw/zinc/49/17/36/532491736.db2.gz HYLKSTYVKSCCLO-XHVZSJERSA-N 1 0 377.279 2.336 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000469117696 532492086 /nfs/dbraw/zinc/49/20/86/532492086.db2.gz VBIINNYIUKCLNN-UHFFFAOYSA-N 1 0 385.339 2.280 20 0 GEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000629416468 532492143 /nfs/dbraw/zinc/49/21/43/532492143.db2.gz PZXBBZKKCCHIQS-UHFFFAOYSA-N 1 0 398.301 2.267 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000236679848 532492683 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C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)CCOCC(F)(F)F)C1 ZINC000685499670 532494366 /nfs/dbraw/zinc/49/43/66/532494366.db2.gz QDRNYMSSETZSDL-OAHLLOKOSA-N 1 0 380.432 2.101 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(I)cc1 ZINC000563023370 532494413 /nfs/dbraw/zinc/49/44/13/532494413.db2.gz CGQDJHUNCYAEKE-CQSZACIVSA-N 1 0 387.265 2.256 20 0 GEADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000236697629 532494822 /nfs/dbraw/zinc/49/48/22/532494822.db2.gz HSQNCMDFZIJKOC-INIZCTEOSA-N 1 0 375.922 2.084 20 0 GEADRO CN(CCOc1ccc(Cl)cc1)C(=O)CN1CCO[C@]2(CCSC2)C1 ZINC000520575114 532495759 /nfs/dbraw/zinc/49/57/59/532495759.db2.gz BWPZZTHBGHEUBM-GOSISDBHSA-N 1 0 384.929 2.385 20 0 GEADRO COCC[C@@]1(C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC[NH2+]C1 ZINC000430293609 532496022 /nfs/dbraw/zinc/49/60/22/532496022.db2.gz LVBXJTQQCIDTBH-YOEHRIQHSA-N 1 0 383.286 2.405 20 0 GEADRO COCC[C@]1(C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC[NH2+]C1 ZINC000430293608 532496293 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GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000684290123 532475858 /nfs/dbraw/zinc/47/58/58/532475858.db2.gz OCAYYHVZGJALNM-ZDUSSCGKSA-N 1 0 393.285 2.309 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296118115 532502449 /nfs/dbraw/zinc/50/24/49/532502449.db2.gz HMAYCDXQKWEZNK-CYBMUJFWSA-N 1 0 381.325 2.260 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1Cl ZINC000236970084 532502584 /nfs/dbraw/zinc/50/25/84/532502584.db2.gz YSYXGPZMDQZROL-QWHCGFSZSA-N 1 0 387.933 2.193 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cccc(I)c1)C2 ZINC000593913978 532502817 /nfs/dbraw/zinc/50/28/17/532502817.db2.gz DGQHKHCWVORRIY-BBRMVZONSA-N 1 0 384.261 2.421 20 0 GEADRO CCC[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)C(=O)N1CCc2sccc2C1 ZINC000236979162 532502982 /nfs/dbraw/zinc/50/29/82/532502982.db2.gz AFWBKEVUBGVLDK-CABCVRRESA-N 1 0 381.567 2.013 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCOc2ccc(C)cc2Br)C1 ZINC000593912851 532503233 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CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000431032720 532504088 /nfs/dbraw/zinc/50/40/88/532504088.db2.gz LGKSVOFZMSOAMB-UHFFFAOYSA-N 1 0 391.559 2.024 20 0 GEADRO C[S@](=O)CCCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000521066550 532505237 /nfs/dbraw/zinc/50/52/37/532505237.db2.gz WRYHCHITEOIHBL-CPJLOUKISA-N 1 0 376.444 2.326 20 0 GEADRO COc1ccc(C[C@H](CO)CNC(=O)C[N@H+](C)C2CCC2)cc1Br ZINC000630004545 532505351 /nfs/dbraw/zinc/50/53/51/532505351.db2.gz DCBFOBQVWLNMJI-AWEZNQCLSA-N 1 0 399.329 2.209 20 0 GEADRO C[C@H](CN(C)C(=O)NC[C@@H]1C[NH2+]CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000563610008 532506222 /nfs/dbraw/zinc/50/62/22/532506222.db2.gz VRRYYEIWFVHMSS-YPMHNXCESA-N 1 0 376.284 2.391 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NCCC2(C[NH3+])CC2)cc1Br ZINC000652233106 532506900 /nfs/dbraw/zinc/50/69/00/532506900.db2.gz MZAUKLDLQBQAGL-OAHLLOKOSA-N 1 0 398.345 2.337 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000652227281 532506950 /nfs/dbraw/zinc/50/69/50/532506950.db2.gz CKSDZJHVRYNTRF-KUHUBIRLSA-N 1 0 391.309 2.465 20 0 GEADRO C[C@@H](CN(C)C(=O)NC[C@H]1C[NH2+]CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000563610007 532507052 /nfs/dbraw/zinc/50/70/52/532507052.db2.gz VRRYYEIWFVHMSS-WCQYABFASA-N 1 0 376.284 2.391 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652238232 532507331 /nfs/dbraw/zinc/50/73/31/532507331.db2.gz YVJPWQYPZNGNHD-UHFFFAOYSA-N 1 0 385.306 2.430 20 0 GEADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000237323802 532507652 /nfs/dbraw/zinc/50/76/52/532507652.db2.gz KHXZUPZMKPBLBB-QGZVFWFLSA-N 1 0 380.897 2.385 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652375438 532507835 /nfs/dbraw/zinc/50/78/35/532507835.db2.gz QTYIFCKPJZVYFC-CFVMTHIKSA-N 1 0 388.917 2.256 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cccc(Br)c2C)CC1 ZINC000652373778 532507919 /nfs/dbraw/zinc/50/79/19/532507919.db2.gz YQXOAWIZAFJMPH-UHFFFAOYSA-N 1 0 391.331 2.147 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000237331939 532508308 /nfs/dbraw/zinc/50/83/08/532508308.db2.gz OYOXHKDXPXNOJX-GFCCVEGCSA-N 1 0 379.917 2.345 20 0 GEADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000237317290 532508441 /nfs/dbraw/zinc/50/84/41/532508441.db2.gz SUWOHLSNJXSWGP-OAHLLOKOSA-N 1 0 390.958 2.185 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000469655866 532508515 /nfs/dbraw/zinc/50/85/15/532508515.db2.gz LQRHFPDESFKBNI-UHFFFAOYSA-N 1 0 387.271 2.010 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652383584 532509204 /nfs/dbraw/zinc/50/92/04/532509204.db2.gz AFTHMMAFPYNCJQ-FMKPAKJESA-N 1 0 388.917 2.398 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000237635741 532509205 /nfs/dbraw/zinc/50/92/05/532509205.db2.gz YGVNPCCNWZEOJQ-DIFFPNOSSA-N 1 0 380.286 2.046 20 0 GEADRO C[C@H](CC(=O)NCCNC(=O)c1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000237629355 532509314 /nfs/dbraw/zinc/50/93/14/532509314.db2.gz CFCVQHAPYKSODH-HIFRSBDPSA-N 1 0 396.329 2.321 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1cccc(I)c1 ZINC000469736547 532509484 /nfs/dbraw/zinc/50/94/84/532509484.db2.gz WTZTZCCBLMBRBH-RYUDHWBXSA-N 1 0 388.249 2.221 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000652378034 532509479 /nfs/dbraw/zinc/50/94/79/532509479.db2.gz XFFRDUTYVTWRJQ-WCQYABFASA-N 1 0 376.906 2.495 20 0 GEADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COCc2ccccc2F)s1 ZINC000563806235 532509744 /nfs/dbraw/zinc/50/97/44/532509744.db2.gz YEBLPILYGSGNIT-AWEZNQCLSA-N 1 0 387.498 2.348 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563799814 532509975 /nfs/dbraw/zinc/50/99/75/532509975.db2.gz ALQDCOJRUHXDOL-UHFFFAOYSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@@]1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CCC[NH2+]C1 ZINC000237640803 532510010 /nfs/dbraw/zinc/51/00/10/532510010.db2.gz SKFRKEFTNGMQCA-MRXNPFEDSA-N 1 0 378.274 2.417 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(F)c(Br)c1)C2 ZINC000652376343 532510117 /nfs/dbraw/zinc/51/01/17/532510117.db2.gz GVPRUKRLYDVMDL-HZMBPMFUSA-N 1 0 377.279 2.338 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000237743407 532510764 /nfs/dbraw/zinc/51/07/64/532510764.db2.gz AMNRREHAFMXHTF-GXTWGEPZSA-N 1 0 382.917 2.007 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1CCOc2ccc(Br)cc21 ZINC000652390479 532511057 /nfs/dbraw/zinc/51/10/57/532511057.db2.gz RPTBNTSXZTWIEL-GJZGRUSLSA-N 1 0 397.313 2.278 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000237741587 532511621 /nfs/dbraw/zinc/51/16/21/532511621.db2.gz AMNRREHAFMXHTF-TZMCWYRMSA-N 1 0 382.917 2.007 20 0 GEADRO O=C(CCc1cc(Cl)ccc1Br)NCCCN1CC[NH2+]CC1 ZINC000237720595 532511679 /nfs/dbraw/zinc/51/16/79/532511679.db2.gz ZHWPEGBZBGGCDM-UHFFFAOYSA-N 1 0 388.737 2.447 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000237741613 532512019 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COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1F ZINC000594530677 532513728 /nfs/dbraw/zinc/51/37/28/532513728.db2.gz MLZWPWXVYSGISH-JOYOIKCWSA-N 1 0 378.853 2.156 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1F ZINC000594531702 532514019 /nfs/dbraw/zinc/51/40/19/532514019.db2.gz WLRPDNFFQMQLHJ-SECBINFHSA-N 1 0 378.853 2.014 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1F ZINC000594530104 532514028 /nfs/dbraw/zinc/51/40/28/532514028.db2.gz HGNRHKKQUGQWBA-SKDRFNHKSA-N 1 0 378.853 2.014 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1F ZINC000594531674 532514032 /nfs/dbraw/zinc/51/40/32/532514032.db2.gz VSIARQWLRJZSOI-NXEZZACHSA-N 1 0 378.853 2.014 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000237985694 532514660 /nfs/dbraw/zinc/51/46/60/532514660.db2.gz UPQMVFHSRIWVGL-OAHLLOKOSA-N 1 0 379.507 2.421 20 0 GEADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)Cn2cc(Br)cn2)cc1 ZINC000521558472 532514798 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O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000652643379 532517581 /nfs/dbraw/zinc/51/75/81/532517581.db2.gz HZKGNOKNXYSUIB-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000296395542 532518190 /nfs/dbraw/zinc/51/81/90/532518190.db2.gz KGBGVHJIWSBHDH-CMPLNLGQSA-N 1 0 379.320 2.436 20 0 GEADRO COc1cc(I)c(C(=O)N[C@@H](C)CCC[NH3+])cc1OC ZINC000563117779 532498071 /nfs/dbraw/zinc/49/80/71/532498071.db2.gz ZKJWYWVNMXUGLM-VIFPVBQESA-N 1 0 392.237 2.166 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000236831260 532498933 /nfs/dbraw/zinc/49/89/33/532498933.db2.gz JVJRBBSMRRAZFY-UHFFFAOYSA-N 1 0 387.571 2.416 20 0 GEADRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000469287701 532499632 /nfs/dbraw/zinc/49/96/32/532499632.db2.gz HRTKGSQLRDKCBC-AWEZNQCLSA-N 1 0 380.535 2.379 20 0 GEADRO CC[NH2+]CCNC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl ZINC000236969894 532499795 /nfs/dbraw/zinc/49/97/95/532499795.db2.gz QENLHMBQRFXHHY-UHFFFAOYSA-N 1 0 396.340 2.267 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)[NH+](C)C ZINC000651862543 532499856 /nfs/dbraw/zinc/49/98/56/532499856.db2.gz ZJIODZCTGTVHJK-ZETCQYMHSA-N 1 0 380.645 2.246 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000520824632 532500182 /nfs/dbraw/zinc/50/01/82/532500182.db2.gz YWUKEJKGPXUVSE-UHFFFAOYSA-N 1 0 381.523 2.199 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000236928471 532500300 /nfs/dbraw/zinc/50/03/00/532500300.db2.gz IQMFNUCKEJHIJM-SNVBAGLBSA-N 1 0 377.304 2.100 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]CCN2CCN(c3ccccc3)CC2)s1 ZINC000563351569 532500359 /nfs/dbraw/zinc/50/03/59/532500359.db2.gz LITLGNRPAMIMNY-UHFFFAOYSA-N 1 0 379.551 2.063 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282838165 532500454 /nfs/dbraw/zinc/50/04/54/532500454.db2.gz OPPBCRHFCFRPAJ-GUYCJALGSA-N 1 0 387.929 2.401 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000236901408 532501201 /nfs/dbraw/zinc/50/12/01/532501201.db2.gz BPGKYQCINNWQTG-NXEZZACHSA-N 1 0 376.320 2.263 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CCCC[C@H]1C[NH3+] ZINC000430603890 532501229 /nfs/dbraw/zinc/50/12/29/532501229.db2.gz OESWCICOPMIYDS-HNNXBMFYSA-N 1 0 384.318 2.100 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000282849170 532501509 /nfs/dbraw/zinc/50/15/09/532501509.db2.gz LLGCNGBSONVHAO-ZDUSSCGKSA-N 1 0 387.914 2.082 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000563376111 532501649 /nfs/dbraw/zinc/50/16/49/532501649.db2.gz HNCABGVUPRGCLQ-GFCCVEGCSA-N 1 0 375.922 2.228 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)C1 ZINC000527123340 532545447 /nfs/dbraw/zinc/54/54/47/532545447.db2.gz BNYCTJJSWDBPBC-QGZVFWFLSA-N 1 0 382.917 2.034 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000470829137 532537097 /nfs/dbraw/zinc/53/70/97/532537097.db2.gz BCJPZIFIUCSZOE-DOMZBBRYSA-N 1 0 382.302 2.025 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000246286132 532537755 /nfs/dbraw/zinc/53/77/55/532537755.db2.gz MWLOIFYIQMTEDT-WFASDCNBSA-N 1 0 381.318 2.466 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])C2=O)ccc1Br ZINC000564936109 532539170 /nfs/dbraw/zinc/53/91/70/532539170.db2.gz DJVCFBPVNCEFML-HUBLWGQQSA-N 1 0 397.317 2.288 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000564937816 532539419 /nfs/dbraw/zinc/53/94/19/532539419.db2.gz ZBTXFFUUXQRSSZ-CYBMUJFWSA-N 1 0 386.309 2.178 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)C1(Cc2ccccc2Br)CC1 ZINC000296772427 532540443 /nfs/dbraw/zinc/54/04/43/532540443.db2.gz CKTBQYBIODDYFC-UHFFFAOYSA-N 1 0 381.314 2.345 20 0 GEADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000595021350 532540446 /nfs/dbraw/zinc/54/04/46/532540446.db2.gz CHILGTCLGJWQFA-LBPRGKRZSA-N 1 0 376.544 2.292 20 0 GEADRO CN1CCN(C)[C@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595021041 532540772 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C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ncccc1Br ZINC000526990666 532543808 /nfs/dbraw/zinc/54/38/08/532543808.db2.gz PBBKCRGJWUSYHU-UHFFFAOYSA-N 1 0 386.290 2.190 20 0 GEADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000375252193 532544311 /nfs/dbraw/zinc/54/43/11/532544311.db2.gz FELFLPXEPGTHAU-DYVFJYSZSA-N 1 0 383.901 2.063 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000565038413 532544617 /nfs/dbraw/zinc/54/46/17/532544617.db2.gz QOPTTZUMQCWMHO-IRXDYDNUSA-N 1 0 380.330 2.481 20 0 GEADRO Cn1cnnc1[C@H]1CCCN1C[C@@H](O)COc1ccc(Br)cc1 ZINC000245559313 532521461 /nfs/dbraw/zinc/52/14/61/532521461.db2.gz BMSGWUHOJQQXOU-UKRRQHHQSA-N 1 0 381.274 2.154 20 0 GEADRO COC(=O)CCN1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(Br)c2)C1=O ZINC000594714910 532522260 /nfs/dbraw/zinc/52/22/60/532522260.db2.gz LCGCWSVBAZNXJQ-RISCZKNCSA-N 1 0 399.285 2.272 20 0 GEADRO COc1cccc(N2C[C@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)CC2=O)c1 ZINC000470172161 532522864 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COc1ccc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1Br ZINC000470357063 532526201 /nfs/dbraw/zinc/52/62/01/532526201.db2.gz XDUSGHZEGVHFRG-LBPRGKRZSA-N 1 0 386.290 2.378 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cccc(S(N)(=O)=O)c1 ZINC000374989945 532526882 /nfs/dbraw/zinc/52/68/82/532526882.db2.gz RFVDWQLYILCWLF-JSGCOSHPSA-N 1 0 380.901 2.312 20 0 GEADRO COc1cc(Br)cc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000470405828 532527327 /nfs/dbraw/zinc/52/73/27/532527327.db2.gz VWWXMMQZRMVCBM-LBPRGKRZSA-N 1 0 386.290 2.378 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245934165 532528258 /nfs/dbraw/zinc/52/82/58/532528258.db2.gz PSXLUZRUJLQHIO-ABAIWWIYSA-N 1 0 388.249 2.465 20 0 GEADRO Cc1cc(NC(=O)[C@@H](N)CC[NH+](C)C)n(-c2cccc(Br)c2)n1 ZINC000653071578 532528688 /nfs/dbraw/zinc/52/86/88/532528688.db2.gz LKRDBLIWONAWLY-AWEZNQCLSA-N 1 0 380.290 2.161 20 0 GEADRO C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000653072418 532529119 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COC[C@]1(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCC[NH2+]1 ZINC000565534301 532568188 /nfs/dbraw/zinc/56/81/88/532568188.db2.gz BOJJVMHNQTWFMR-QGZVFWFLSA-N 1 0 393.285 2.133 20 0 GEADRO COC(=O)[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(OC)c(Cl)c1 ZINC000472225663 532568286 /nfs/dbraw/zinc/56/82/86/532568286.db2.gz REMGXRFJOZKTSS-WBMJQRKESA-N 1 0 386.901 2.116 20 0 GEADRO COC(=O)[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(OC)c(Cl)c1 ZINC000472225661 532568625 /nfs/dbraw/zinc/56/86/25/532568625.db2.gz REMGXRFJOZKTSS-LRDDRELGSA-N 1 0 386.901 2.116 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)C[C@@H]12 ZINC000375614481 532568674 /nfs/dbraw/zinc/56/86/74/532568674.db2.gz RIXPIYFVOKZZJX-MKPLZMMCSA-N 1 0 379.707 2.460 20 0 GEADRO CO[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccccc1Br ZINC000654782195 532569046 /nfs/dbraw/zinc/56/90/46/532569046.db2.gz MLNXLLWPASYVDK-YOEHRIQHSA-N 1 0 398.345 2.136 20 0 GEADRO CO[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccccc1Br ZINC000654783883 532569123 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O=C(Nc1cc(Br)c(F)cc1F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654045227 532546680 /nfs/dbraw/zinc/54/66/80/532546680.db2.gz QGWNOMRGZBLUGA-DTWKUNHWSA-N 1 0 376.201 2.010 20 0 GEADRO CN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000247318167 532547043 /nfs/dbraw/zinc/54/70/43/532547043.db2.gz HWBATWIYPMPDAN-UONOGXRCSA-N 1 0 394.313 2.355 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)ccc1Br ZINC000375283743 532547448 /nfs/dbraw/zinc/54/74/48/532547448.db2.gz ZEOWYBVEYYLRRK-PBHICJAKSA-N 1 0 380.286 2.343 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC[C@H]1C(F)(F)F ZINC000631954861 532569527 /nfs/dbraw/zinc/56/95/27/532569527.db2.gz YQZRQFTVEAYREZ-RKDXNWHRSA-N 1 0 387.811 2.353 20 0 GEADRO CCCCn1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)n1 ZINC000631954515 532569536 /nfs/dbraw/zinc/56/95/36/532569536.db2.gz OSBFXLLXDVBIKM-CHWSQXEVSA-N 1 0 382.452 2.139 20 0 GEADRO O=C(Cn1cc(Br)cn1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471297459 532548109 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C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000433878228 532582565 /nfs/dbraw/zinc/58/25/65/532582565.db2.gz PKLJMURWSFUZTL-LSDHHAIUSA-N 1 0 380.432 2.215 20 0 GEADRO [NH3+]CCC1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000565897430 532582640 /nfs/dbraw/zinc/58/26/40/532582640.db2.gz HOUWQGIHQIJBKW-UHFFFAOYSA-N 1 0 375.332 2.284 20 0 GEADRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000375842664 532582831 /nfs/dbraw/zinc/58/28/31/532582831.db2.gz WQHLQOYBRHPNTN-BBRMVZONSA-N 1 0 380.539 2.233 20 0 GEADRO COc1cc(C)c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000433880618 532583038 /nfs/dbraw/zinc/58/30/38/532583038.db2.gz BCWLSNNVRHTQIJ-OAHLLOKOSA-N 1 0 378.947 2.373 20 0 GEADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375835916 532583346 /nfs/dbraw/zinc/58/33/46/532583346.db2.gz AELVYCRHYWSQJC-ZIAGYGMSSA-N 1 0 388.555 2.469 20 0 GEADRO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CCc3c2cccc3Br)cn1 ZINC000262046134 532583539 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C[NH+](C)CCCS(=O)(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000632199393 532589271 /nfs/dbraw/zinc/58/92/71/532589271.db2.gz ISFNMUXZIHYVFL-HNNXBMFYSA-N 1 0 380.432 2.360 20 0 GEADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262344637 532589771 /nfs/dbraw/zinc/58/97/71/532589771.db2.gz TVUAXMGRQJFVAF-IXDOHACOSA-N 1 0 378.314 2.059 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@H]3CC[NH2+]C[C@@H]3C)ccc2s1 ZINC000262343485 532590156 /nfs/dbraw/zinc/59/01/56/532590156.db2.gz SYGUMJALGYXGPH-FZMZJTMJSA-N 1 0 382.507 2.354 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCc1cccc(Br)c1 ZINC000297438863 532590364 /nfs/dbraw/zinc/59/03/64/532590364.db2.gz IQWRSTIMYHGKEP-UHFFFAOYSA-N 1 0 397.361 2.271 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)C[C@@H]12 ZINC000262360740 532590721 /nfs/dbraw/zinc/59/07/21/532590721.db2.gz INHPUTYFJZSPPX-CYZMBNFOSA-N 1 0 376.507 2.195 20 0 GEADRO CC(C)(C)c1ncc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 ZINC000284421584 532590779 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COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000597185913 532614738 /nfs/dbraw/zinc/61/47/38/532614738.db2.gz FSJZAWQFUSISCD-CMPLNLGQSA-N 1 0 380.185 2.471 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000474365342 532614793 /nfs/dbraw/zinc/61/47/93/532614793.db2.gz IVPLCAPQNKBIQK-SMDDNHRTSA-N 1 0 376.284 2.047 20 0 GEADRO COc1cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc(I)c1OC ZINC000435383149 532615097 /nfs/dbraw/zinc/61/50/97/532615097.db2.gz GNZRCCLSSNIGBC-QWRGUYRKSA-N 1 0 390.265 2.491 20 0 GEADRO CN(CC(=O)N1CC[NH2+]C2(CCCCC2)C1)C(=O)c1ccc(Br)o1 ZINC000656362952 532615391 /nfs/dbraw/zinc/61/53/91/532615391.db2.gz GBSCJNZYBFLBHH-UHFFFAOYSA-N 1 0 398.301 2.249 20 0 GEADRO C[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1OCCc2sccc21 ZINC000297985560 532615626 /nfs/dbraw/zinc/61/56/26/532615626.db2.gz AAAHQHOWCKNRNU-TVQRCGJNSA-N 1 0 379.404 2.118 20 0 GEADRO COc1cc(CN(C)C2CC[NH2+]CC2)cc(I)c1OC ZINC000435385388 532615935 /nfs/dbraw/zinc/61/59/35/532615935.db2.gz PYHYBVZSRKECPX-UHFFFAOYSA-N 1 0 390.265 2.492 20 0 GEADRO Cc1ncsc1CN(Cc1ccc(S(C)(=O)=O)cc1)C[C@H]1CC[NH2+]C1 ZINC000435423322 532617162 /nfs/dbraw/zinc/61/71/62/532617162.db2.gz SVEIBOQAFIKTMX-INIZCTEOSA-N 1 0 379.551 2.467 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN([C@@H](C)c3ncc(Br)cn3)C2)CC1 ZINC000376544506 532617747 /nfs/dbraw/zinc/61/77/47/532617747.db2.gz BYVJVUBNIOGUBK-GOEBONIOSA-N 1 0 382.350 2.400 20 0 GEADRO O[C@H](C[NH2+][C@H](c1cncc(Br)c1)C1CC1)COC1CCOCC1 ZINC000284769050 532617890 /nfs/dbraw/zinc/61/78/90/532617890.db2.gz MOXLJTIGNDROHI-WBVHZDCISA-N 1 0 385.302 2.441 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000566560254 532618243 /nfs/dbraw/zinc/61/82/43/532618243.db2.gz RRCHZZCKFJKUQD-INIZCTEOSA-N 1 0 381.929 2.291 20 0 GEADRO C[C@H]1CN(C(=O)NCCCn2cc(Br)cn2)CC[N@@H+](C2CC2)C1 ZINC000297559477 532596397 /nfs/dbraw/zinc/59/63/97/532596397.db2.gz BEXCIYOLCCZWQG-CYBMUJFWSA-N 1 0 384.322 2.161 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000262633619 532596547 /nfs/dbraw/zinc/59/65/47/532596547.db2.gz OVHMEXGVBRUZJK-SCRDCRAPSA-N 1 0 380.286 2.046 20 0 GEADRO C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632287011 532597270 /nfs/dbraw/zinc/59/72/70/532597270.db2.gz SFLBKPREHTWZJH-NSHDSACASA-N 1 0 389.905 2.079 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(OC)cc1Br ZINC000473702103 532597841 /nfs/dbraw/zinc/59/78/41/532597841.db2.gz UWFYYHIWNYBDCS-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000529373488 532598036 /nfs/dbraw/zinc/59/80/36/532598036.db2.gz DUCXKNJUYMQVCL-ZUZCIYMTSA-N 1 0 392.258 2.204 20 0 GEADRO COc1ccc(Br)c(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1 ZINC000284506237 532598234 /nfs/dbraw/zinc/59/82/34/532598234.db2.gz DROCGMKXGXZYQM-CABCVRRESA-N 1 0 384.274 2.395 20 0 GEADRO COC(=O)c1cn(CC[NH2+]C2CC(c3ccc(Br)cc3)C2)nn1 ZINC000284504984 532598426 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O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000376687694 532624549 /nfs/dbraw/zinc/62/45/49/532624549.db2.gz IGXAQIBAEZMDED-WFASDCNBSA-N 1 0 375.270 2.459 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000298080742 532625079 /nfs/dbraw/zinc/62/50/79/532625079.db2.gz SVXIMKWRXTWJGP-CZUORRHYSA-N 1 0 396.329 2.206 20 0 GEADRO COc1cc(Cl)c(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl ZINC000566742906 532626163 /nfs/dbraw/zinc/62/61/63/532626163.db2.gz BYXYANSWEMDEPG-GFCCVEGCSA-N 1 0 396.340 2.362 20 0 GEADRO COCC[C@@](C)(O)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000474719543 532626188 /nfs/dbraw/zinc/62/61/88/532626188.db2.gz LQUSXSPAMJEISO-CYBMUJFWSA-N 1 0 385.192 2.447 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000376741828 532627311 /nfs/dbraw/zinc/62/73/11/532627311.db2.gz JTPVLBHAUDMZPS-OAHLLOKOSA-N 1 0 385.873 2.206 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(Br)s2)CC1 ZINC000530715801 532627598 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CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439438949 532694108 /nfs/dbraw/zinc/69/41/08/532694108.db2.gz MAUXKZDGXIQHHR-CWRNSKLLSA-N 1 0 392.265 2.112 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000378404684 532694143 /nfs/dbraw/zinc/69/41/43/532694143.db2.gz PIWMFTUOTDDBAY-BXUZGUMPSA-N 1 0 389.315 2.144 20 0 GEADRO CSC1(CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC[NH+](C)CC1 ZINC000569277387 532694248 /nfs/dbraw/zinc/69/42/48/532694248.db2.gz UDOBTJOQDZUGRS-UHFFFAOYSA-N 1 0 388.946 2.322 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F)c1cccs1 ZINC000665333826 532694369 /nfs/dbraw/zinc/69/43/69/532694369.db2.gz CTLCZJDSCNDIOC-JHJVBQTASA-N 1 0 380.432 2.451 20 0 GEADRO Cc1nc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(Br)s1 ZINC000665302837 532694696 /nfs/dbraw/zinc/69/46/96/532694696.db2.gz FEEFBNYXACNURZ-LBPRGKRZSA-N 1 0 387.347 2.066 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)cnc2c1Cl ZINC000536586324 532695154 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CC(C)[C@H]1CN(Cc2nnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000488035792 532699274 /nfs/dbraw/zinc/69/92/74/532699274.db2.gz XTKHODGBTSSYOK-OAHLLOKOSA-N 1 0 379.306 2.197 20 0 GEADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000439685760 532699456 /nfs/dbraw/zinc/69/94/56/532699456.db2.gz WKRZHAKHIYOBKV-LSDHHAIUSA-N 1 0 387.571 2.042 20 0 GEADRO Cn1cc(Br)cc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)c1=O ZINC000666288226 532699815 /nfs/dbraw/zinc/69/98/15/532699815.db2.gz YPECVQZEVZQRBG-UHFFFAOYSA-N 1 0 397.317 2.391 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000285717802 532700574 /nfs/dbraw/zinc/70/05/74/532700574.db2.gz MZXUIYRRCXKRFO-GOSISDBHSA-N 1 0 395.345 2.439 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000666690291 532700735 /nfs/dbraw/zinc/70/07/35/532700735.db2.gz HJZAMWGDMOMKTP-GFCCVEGCSA-N 1 0 383.290 2.240 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)C1 ZINC000604390319 532700926 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GEADRO COC(=O)CC1([NH2+]CCCOc2cccc(Cl)c2)CCS(=O)(=O)CC1 ZINC000439277537 532688763 /nfs/dbraw/zinc/68/87/63/532688763.db2.gz SAUNJDBLVIOJLK-UHFFFAOYSA-N 1 0 389.901 2.209 20 0 GEADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639091297 532689737 /nfs/dbraw/zinc/68/97/37/532689737.db2.gz NTTUQLMPRBCEHL-INIZCTEOSA-N 1 0 375.270 2.493 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000439358040 532689810 /nfs/dbraw/zinc/68/98/10/532689810.db2.gz MRZARZFNDSTIMM-GFCCVEGCSA-N 1 0 398.301 2.257 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000439348202 532689875 /nfs/dbraw/zinc/68/98/75/532689875.db2.gz KJOWVFPHLFLVTA-GFCCVEGCSA-N 1 0 398.301 2.339 20 0 GEADRO O[C@H](CN1CCOCC1)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439321314 532690125 /nfs/dbraw/zinc/69/01/25/532690125.db2.gz OTKBJJHOAFVCEQ-SFHVURJKSA-N 1 0 383.330 2.322 20 0 GEADRO O=C1C[C@H]([NH2+]Cc2c(Br)cncc2Br)CCCN1 ZINC000639218339 532690249 /nfs/dbraw/zinc/69/02/49/532690249.db2.gz CMCYHYVMWWFYCO-MRVPVSSYSA-N 1 0 377.080 2.365 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000439358390 532690500 /nfs/dbraw/zinc/69/05/00/532690500.db2.gz WZXSBXYFHCGHBI-SNVBAGLBSA-N 1 0 375.803 2.433 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)NCc2csc(C(F)(F)F)c2)CC[N@H+](C)C1 ZINC000602380112 532690471 /nfs/dbraw/zinc/69/04/71/532690471.db2.gz XYQQAGSSLWTUPW-NSHDSACASA-N 1 0 379.404 2.013 20 0 GEADRO Cc1nccc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1Br ZINC000666837340 532703329 /nfs/dbraw/zinc/70/33/29/532703329.db2.gz RUJCVYRTRTYDQX-CYBMUJFWSA-N 1 0 385.306 2.149 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000266129616 532703684 /nfs/dbraw/zinc/70/36/84/532703684.db2.gz XWIBNRQTNVEXJM-IBUXWKBASA-N 1 0 381.270 2.301 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000607128271 532704879 /nfs/dbraw/zinc/70/48/79/532704879.db2.gz XUSXKDBLRPHCKZ-NWDGAFQWSA-N 1 0 393.962 2.011 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000537229667 532705718 /nfs/dbraw/zinc/70/57/18/532705718.db2.gz JCXUKOWPVPOHKU-UHFFFAOYSA-N 1 0 397.313 2.134 20 0 GEADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Br)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000299261447 532706084 /nfs/dbraw/zinc/70/60/84/532706084.db2.gz PVNZHUWJOWZWRL-VXGBXAGGSA-N 1 0 386.290 2.009 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000666923331 532706248 /nfs/dbraw/zinc/70/62/48/532706248.db2.gz ISSVIDVTMAINNV-CYBMUJFWSA-N 1 0 390.347 2.499 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000489481949 532706690 /nfs/dbraw/zinc/70/66/90/532706690.db2.gz RFEGYQZXQIVTAS-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO COCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)[C@@H]1CCO[C@H]1C ZINC000489488964 532707114 /nfs/dbraw/zinc/70/71/14/532707114.db2.gz VJCPTJBQKYQNDY-JLJPHGGASA-N 1 0 388.302 2.315 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000299283106 532708138 /nfs/dbraw/zinc/70/81/38/532708138.db2.gz LSWDOLYTXIXYQP-ZIAGYGMSSA-N 1 0 384.318 2.165 20 0 GEADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000489563065 532708223 /nfs/dbraw/zinc/70/82/23/532708223.db2.gz BGBDNUCKJQQCHG-KRWDZBQOSA-N 1 0 392.341 2.329 20 0 GEADRO CC(C)OC(=O)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000572631310 532709036 /nfs/dbraw/zinc/70/90/36/532709036.db2.gz HWPROJXZMATGPQ-UHFFFAOYSA-N 1 0 378.288 2.154 20 0 GEADRO C[S@@](=O)C1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCC1 ZINC000393700102 532709820 /nfs/dbraw/zinc/70/98/20/532709820.db2.gz REDFGGSMZZCWQG-YEJXKQKISA-N 1 0 376.316 2.080 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000489585712 532709842 /nfs/dbraw/zinc/70/98/42/532709842.db2.gz NFBQDHSVAJONMH-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO CN1C(=O)CC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1=O ZINC000394559271 532709864 /nfs/dbraw/zinc/70/98/64/532709864.db2.gz IIHJFMMKHXFQAM-NSHDSACASA-N 1 0 390.075 2.449 20 0 GEADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Br)C1 ZINC000440337053 532709849 /nfs/dbraw/zinc/70/98/49/532709849.db2.gz IJZWHZAUBWEYRR-MRVPVSSYSA-N 1 0 383.695 2.094 20 0 GEADRO C[N@@H+]1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@H](c2ccccc2)C1 ZINC000643885407 532709896 /nfs/dbraw/zinc/70/98/96/532709896.db2.gz XBLHQFJHFHIPBC-KRWDZBQOSA-N 1 0 379.913 2.476 20 0 GEADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000494324153 532718442 /nfs/dbraw/zinc/71/84/42/532718442.db2.gz AIDGBWDIORSHLZ-OAHLLOKOSA-N 1 0 379.302 2.120 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(F)cc2I)C[C@@]1(C)C[NH3+] ZINC000394025802 532709966 /nfs/dbraw/zinc/70/99/66/532709966.db2.gz GKNKRMAIBAJRCD-YMTOWFKASA-N 1 0 376.213 2.487 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000608042290 532710442 /nfs/dbraw/zinc/71/04/42/532710442.db2.gz CCJIHYAXYRJSNY-NWANDNLSSA-N 1 0 385.555 2.193 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCn2cc(Br)cn2)cc1 ZINC000285817667 532710490 /nfs/dbraw/zinc/71/04/90/532710490.db2.gz WVRMOKGHAPVVNG-ZDUSSCGKSA-N 1 0 386.315 2.406 20 0 GEADRO CS(=O)(=O)C1(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CC[NH2+]CC1 ZINC000285820169 532710963 /nfs/dbraw/zinc/71/09/63/532710963.db2.gz SXABGSQOLZGCOE-UHFFFAOYSA-N 1 0 385.917 2.046 20 0 GEADRO CC[C@@](C)([NH3+])c1cn(CC(=O)N(C)Cc2ccccc2Br)nn1 ZINC000395208925 532711968 /nfs/dbraw/zinc/71/19/68/532711968.db2.gz IZCVOOMHIAGCSA-MRXNPFEDSA-N 1 0 380.290 2.283 20 0 GEADRO COc1cc(C[NH2+]C(CO)CO)cc(Br)c1OCc1ccccc1 ZINC000608061776 532712515 /nfs/dbraw/zinc/71/25/15/532712515.db2.gz NDXWRXPQZAMLRW-UHFFFAOYSA-N 1 0 396.281 2.480 20 0 GEADRO CC[C@H]([NH2+][C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000538524226 532712862 /nfs/dbraw/zinc/71/28/62/532712862.db2.gz IHIKRJXIGPFXJJ-UTUOFQBUSA-N 1 0 378.947 2.382 20 0 GEADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000440417192 532713244 /nfs/dbraw/zinc/71/32/44/532713244.db2.gz XPTVNBNTJIUIEY-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000440424524 532713877 /nfs/dbraw/zinc/71/38/77/532713877.db2.gz FQUAIOHGADKVJC-GWCFXTLKSA-N 1 0 377.304 2.206 20 0 GEADRO O=C1CNC(=O)N1CCC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000299390987 532714294 /nfs/dbraw/zinc/71/42/94/532714294.db2.gz RKMHGQKNJBJKSF-UHFFFAOYSA-N 1 0 384.249 2.495 20 0 GEADRO CCOc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1Br ZINC000440439840 532714866 /nfs/dbraw/zinc/71/48/66/532714866.db2.gz FCHSZFDUORLIGL-GFCCVEGCSA-N 1 0 389.315 2.363 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cscc1Br)CCO2 ZINC000285866499 532714965 /nfs/dbraw/zinc/71/49/65/532714965.db2.gz ITAITOYEFNZBGH-YPMHNXCESA-N 1 0 380.329 2.337 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000670494602 532716869 /nfs/dbraw/zinc/71/68/69/532716869.db2.gz GLFXWSCRTPSCSY-HNNXBMFYSA-N 1 0 384.307 2.349 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000670496018 532717155 /nfs/dbraw/zinc/71/71/55/532717155.db2.gz BHQROHZXTVWRTN-LBPRGKRZSA-N 1 0 384.307 2.419 20 0 GEADRO OC[C@H]1C=C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000575059881 532717180 /nfs/dbraw/zinc/71/71/80/532717180.db2.gz MURFELVLFIDZBA-CYZMBNFOSA-N 1 0 376.678 2.369 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nccn2c(Br)cnc12 ZINC000285893640 532717943 /nfs/dbraw/zinc/71/79/43/532717943.db2.gz RMQNJPKZLCQLAY-RYUDHWBXSA-N 1 0 378.274 2.191 20 0 GEADRO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000495310979 532720521 /nfs/dbraw/zinc/72/05/21/532720521.db2.gz ZHYHTXPKSQCMST-ZDUSSCGKSA-N 1 0 385.306 2.408 20 0 GEADRO CCN(C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H](C)CS(C)(=O)=O ZINC000497353173 532721968 /nfs/dbraw/zinc/72/19/68/532721968.db2.gz ZLFVXVZHHMNCBS-ZACQAIPSSA-N 1 0 375.579 2.209 20 0 GEADRO O[C@H](COCc1ccco1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000409447842 532721998 /nfs/dbraw/zinc/72/19/98/532721998.db2.gz PMDSXMMXPOTAFJ-HNNXBMFYSA-N 1 0 384.274 2.453 20 0 GEADRO CC(C)[N@H+](C)CC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000299500985 532722253 /nfs/dbraw/zinc/72/22/53/532722253.db2.gz MYYLREDNOOGUKC-UHFFFAOYSA-N 1 0 382.511 2.460 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC000577098066 532732849 /nfs/dbraw/zinc/73/28/49/532732849.db2.gz QJNGDZFTSMDPCV-MRXNPFEDSA-N 1 0 383.897 2.281 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000299517114 532722806 /nfs/dbraw/zinc/72/28/06/532722806.db2.gz GZIAKIIGVWJAAE-IUODEOHRSA-N 1 0 382.302 2.120 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CC[NH3+])ccc1Br ZINC000285963421 532722802 /nfs/dbraw/zinc/72/28/02/532722802.db2.gz GXWUCERYELYLSZ-LBPRGKRZSA-N 1 0 389.315 2.196 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000646121870 532723231 /nfs/dbraw/zinc/72/32/31/532723231.db2.gz WTHOWSPQPNIMOH-WMLDXEAASA-N 1 0 380.330 2.134 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000440852979 532723762 /nfs/dbraw/zinc/72/37/62/532723762.db2.gz ZEKNZKOZABMDOS-MGPQQGTHSA-N 1 0 388.917 2.113 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H](C[NH3+])C1 ZINC000440855625 532723894 /nfs/dbraw/zinc/72/38/94/532723894.db2.gz GFFAGJQOUSFOAB-WDEREUQCSA-N 1 0 386.823 2.486 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000539126773 532724130 /nfs/dbraw/zinc/72/41/30/532724130.db2.gz QPVGUPOXEHRBGY-LBPRGKRZSA-N 1 0 388.917 2.480 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000646483651 532724149 /nfs/dbraw/zinc/72/41/49/532724149.db2.gz HLIUUOAXOMWITF-DOMZBBRYSA-N 1 0 382.302 2.120 20 0 GEADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc2)cs1 ZINC000497792387 532724187 /nfs/dbraw/zinc/72/41/87/532724187.db2.gz UQOVVOSXGYBFDQ-IAQYHMDHSA-N 1 0 381.523 2.058 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(SC)oc1C)[C@H]1CCS(=O)(=O)C1 ZINC000613011825 532724204 /nfs/dbraw/zinc/72/42/04/532724204.db2.gz KFJQUSXFFLBGMO-AWEZNQCLSA-N 1 0 388.555 2.281 20 0 GEADRO COc1ccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c(I)c1 ZINC000286009788 532724206 /nfs/dbraw/zinc/72/42/06/532724206.db2.gz JEYUHKAUCCGLFR-PKFCDNJMSA-N 1 0 388.249 2.416 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccccc1Br)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987169 532724258 /nfs/dbraw/zinc/72/42/58/532724258.db2.gz UHTARZUOIIDRTR-CJNGLKHVSA-N 1 0 396.329 2.041 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000266793957 532724307 /nfs/dbraw/zinc/72/43/07/532724307.db2.gz XCGGRBLNMBHJSF-UHFFFAOYSA-N 1 0 381.314 2.444 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000539126771 532724379 /nfs/dbraw/zinc/72/43/79/532724379.db2.gz QPVGUPOXEHRBGY-GFCCVEGCSA-N 1 0 388.917 2.480 20 0 GEADRO O=C1CC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)[C@@H](C2CC2)N1 ZINC000576152329 532724695 /nfs/dbraw/zinc/72/46/95/532724695.db2.gz AYXATBAQYWUIRV-WMLDXEAASA-N 1 0 390.285 2.177 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000646474877 532724867 /nfs/dbraw/zinc/72/48/67/532724867.db2.gz CVIHWIRKCLOQQL-KCXAZCMYSA-N 1 0 394.313 2.353 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000441781751 532726637 /nfs/dbraw/zinc/72/66/37/532726637.db2.gz WQMCSJDZUZFMGQ-NWDGAFQWSA-N 1 0 384.249 2.270 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)c1 ZINC000299563041 532727306 /nfs/dbraw/zinc/72/73/06/532727306.db2.gz DNZCSXRCCOHNPC-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1nc(C)c(SCC(N)=O)s1 ZINC000266846132 532727390 /nfs/dbraw/zinc/72/73/90/532727390.db2.gz QNNKHDFHUBPXCL-UHFFFAOYSA-N 1 0 376.573 2.042 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441992138 532727698 /nfs/dbraw/zinc/72/76/98/532727698.db2.gz AGIUSLBMTRFZAI-CYBMUJFWSA-N 1 0 380.286 2.357 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613193014 532729113 /nfs/dbraw/zinc/72/91/13/532729113.db2.gz ZQHDTOYCQAWSHQ-BHTHQVBYSA-N 1 0 382.302 2.473 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1Cl)C(C)(C)C ZINC000539425431 532730473 /nfs/dbraw/zinc/73/04/73/532730473.db2.gz QWNSVLXNLWDAJB-CQSZACIVSA-N 1 0 375.922 2.084 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000577055264 532730794 /nfs/dbraw/zinc/73/07/94/532730794.db2.gz XIQKIUAAPCWJLH-MELADBBJSA-N 1 0 394.313 2.436 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000613579783 532730871 /nfs/dbraw/zinc/73/08/71/532730871.db2.gz UYXWFGJXPSRBHB-CYBMUJFWSA-N 1 0 393.289 2.027 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000500022076 532731017 /nfs/dbraw/zinc/73/10/17/532731017.db2.gz YNCVLMDBDDFEPH-UHFFFAOYSA-N 1 0 377.819 2.427 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)C1(CC)CC ZINC000539508929 532731301 /nfs/dbraw/zinc/73/13/01/532731301.db2.gz CXBXFFSGIUWXGQ-YESZJQIVSA-N 1 0 376.563 2.048 20 0 GEADRO Cc1c(Br)cncc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000613606926 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CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1Br ZINC000614504841 532739883 /nfs/dbraw/zinc/73/98/83/532739883.db2.gz HATFJDIBBCSGEP-AWEZNQCLSA-N 1 0 380.330 2.233 20 0 GEADRO COC(=O)[C@@H](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501228410 532740077 /nfs/dbraw/zinc/74/00/77/532740077.db2.gz QBAKGLUJNWLUFC-LBPRGKRZSA-N 1 0 398.301 2.339 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000502816516 532740725 /nfs/dbraw/zinc/74/07/25/532740725.db2.gz YSBUGKSVRVOUDU-GFCCVEGCSA-N 1 0 398.301 2.456 20 0 GEADRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000675820268 532740808 /nfs/dbraw/zinc/74/08/08/532740808.db2.gz ZFGRLPKQLJHQGG-OAHLLOKOSA-N 1 0 389.974 2.044 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]CCc2ccc(F)c(Br)c2)CC1 ZINC000675780696 532741131 /nfs/dbraw/zinc/74/11/31/532741131.db2.gz MHTUYRMCIOXQDZ-UHFFFAOYSA-N 1 0 379.295 2.144 20 0 GEADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(F)c(Cl)cc1Cl ZINC000675819026 532741375 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Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000458767967 532795719 /nfs/dbraw/zinc/79/57/19/532795719.db2.gz VEZJAEUPKJXBNS-JSGCOSHPSA-N 1 0 386.334 2.158 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000269307301 532780233 /nfs/dbraw/zinc/78/02/33/532780233.db2.gz ZESRSJVBGUZGIG-LRDDRELGSA-N 1 0 387.933 2.226 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1Cl ZINC000269304978 532780313 /nfs/dbraw/zinc/78/03/13/532780313.db2.gz YTSWVARRNVYEBK-IUODEOHRSA-N 1 0 387.933 2.180 20 0 GEADRO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CCCO)cc(Br)c1O ZINC000459571756 532796619 /nfs/dbraw/zinc/79/66/19/532796619.db2.gz PMPTUYAAOZQKIJ-AWEZNQCLSA-N 1 0 387.318 2.490 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000459581155 532796635 /nfs/dbraw/zinc/79/66/35/532796635.db2.gz ODXJBGAFCUIZKX-UHFFFAOYSA-N 1 0 378.889 3.040 20 0 GEADRO O=C1c2ccccc2C(=O)N1CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000514229795 532781116 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Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c(Br)n1 ZINC000271535760 532808388 /nfs/dbraw/zinc/80/83/88/532808388.db2.gz GOVPYJVCNPOBHD-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(Br)cc2C)CC[N@H+](C)C1 ZINC000413272662 532808781 /nfs/dbraw/zinc/80/87/81/532808781.db2.gz XVCFGYYLAZFYFR-AWEZNQCLSA-N 1 0 398.301 2.004 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000287813137 532810451 /nfs/dbraw/zinc/81/04/51/532810451.db2.gz XEOBQPOYCBIUNQ-UHFFFAOYSA-N 1 0 377.819 2.380 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1(C)C ZINC000550115386 532797979 /nfs/dbraw/zinc/79/79/79/532797979.db2.gz KJIJQGLSMWBAOV-CYBMUJFWSA-N 1 0 394.313 2.355 20 0 GEADRO CN(CC1CC1)S(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328810768 532798124 /nfs/dbraw/zinc/79/81/24/532798124.db2.gz FETKGHBIUJZPPO-JKSUJKDBSA-N 1 0 375.897 2.401 20 0 GEADRO CSC1(CNC(=O)CN2CCOc3ccc(Cl)cc32)CC[NH+](C)CC1 ZINC000460962192 532798679 /nfs/dbraw/zinc/79/86/79/532798679.db2.gz WWBUVUOMLUGXCQ-UHFFFAOYSA-N 1 0 383.945 2.482 20 0 GEADRO CSC1(CNC(=O)Cc2cc[nH]c(=O)c2Br)CC[NH+](C)CC1 ZINC000460972522 532798872 /nfs/dbraw/zinc/79/88/72/532798872.db2.gz APPULUFEXUGDGG-UHFFFAOYSA-N 1 0 388.331 2.036 20 0 GEADRO CNC(=O)c1cccc(NC(=O)NCC2=CC[N@H+](C)CC2)c1Br ZINC000287551152 532799104 /nfs/dbraw/zinc/79/91/04/532799104.db2.gz XFLFAFDFCLTNBX-UHFFFAOYSA-N 1 0 381.274 2.192 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1Br ZINC000287546090 532799589 /nfs/dbraw/zinc/79/95/89/532799589.db2.gz WWWMVXQILHINCH-SMDDNHRTSA-N 1 0 395.301 2.367 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000461032973 532799641 /nfs/dbraw/zinc/79/96/41/532799641.db2.gz HYFUDDOSUCEBRG-LLVKDONJSA-N 1 0 396.340 2.117 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21)[NH+](C)C ZINC000287573317 532800126 /nfs/dbraw/zinc/80/01/26/532800126.db2.gz VTOKBGQPGJROQI-JTQLQIEISA-N 1 0 379.258 2.002 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cnc2c1Cl ZINC000329074055 532802029 /nfs/dbraw/zinc/80/20/29/532802029.db2.gz BEUFTZYQRSREHT-CYBMUJFWSA-N 1 0 385.921 2.186 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000270834944 532802621 /nfs/dbraw/zinc/80/26/21/532802621.db2.gz SWWSCUVTCATNHH-NSHDSACASA-N 1 0 391.896 2.073 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000287624695 532803451 /nfs/dbraw/zinc/80/34/51/532803451.db2.gz OUPZIHDAISDXAV-UHFFFAOYSA-N 1 0 380.645 2.248 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[N@H+](CCO)CCCO ZINC000271160423 532803563 /nfs/dbraw/zinc/80/35/63/532803563.db2.gz FKZQBGWOTBFTAK-UHFFFAOYSA-N 1 0 376.291 2.041 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000552340025 532803887 /nfs/dbraw/zinc/80/38/87/532803887.db2.gz JFLXXGSZMXOEIE-CJNGLKHVSA-N 1 0 387.933 2.461 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000554042672 532804373 /nfs/dbraw/zinc/80/43/73/532804373.db2.gz XZTNAYDSAZGTEY-JSGCOSHPSA-N 1 0 382.302 2.006 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000287647924 532804503 /nfs/dbraw/zinc/80/45/03/532804503.db2.gz QDLOXDSHZKZSRB-LBPRGKRZSA-N 1 0 376.835 2.351 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)sn1 ZINC000287896145 532812469 /nfs/dbraw/zinc/81/24/69/532812469.db2.gz HKICOZYIWDCFMV-UHFFFAOYSA-N 1 0 378.523 2.480 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)NCc2cccc(Br)c2Cl)CC1 ZINC000413660900 532813049 /nfs/dbraw/zinc/81/30/49/532813049.db2.gz WVDOCTBZQFCJES-UHFFFAOYSA-N 1 0 390.709 2.358 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000556664888 532811566 /nfs/dbraw/zinc/81/15/66/532811566.db2.gz YMGKRJPBSNYQHE-HNNXBMFYSA-N 1 0 384.933 2.487 20 0 GEADRO COC(=O)CCN1CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000271792784 532811888 /nfs/dbraw/zinc/81/18/88/532811888.db2.gz VAIPRYZXFPDLEN-XJKSGUPXSA-N 1 0 385.302 2.052 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413805358 532814847 /nfs/dbraw/zinc/81/48/47/532814847.db2.gz DDVPXXVWBGHGSM-MRXNPFEDSA-N 1 0 399.329 2.353 20 0 GEADRO O=C(CCc1cc(Br)ccc1F)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413819127 532815222 /nfs/dbraw/zinc/81/52/22/532815222.db2.gz OQTODFPQHSRJSH-OAHLLOKOSA-N 1 0 387.293 2.484 20 0 GEADRO COc1ccc(I)c(NC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000272387699 532815342 /nfs/dbraw/zinc/81/53/42/532815342.db2.gz TZNWBWFJDJZHFG-UHFFFAOYSA-N 1 0 389.237 2.469 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000272214040 532813743 /nfs/dbraw/zinc/81/37/43/532813743.db2.gz HWXHNXCYQLVORE-JGVFFNPUSA-N 1 0 380.176 2.379 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cc(Cl)cc(Br)c1 ZINC000413706465 532813843 /nfs/dbraw/zinc/81/38/43/532813843.db2.gz WWKIOXBVOOMPDC-AWEZNQCLSA-N 1 0 378.698 2.214 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000272734356 532817929 /nfs/dbraw/zinc/81/79/29/532817929.db2.gz VOHQTWJXPDAOMA-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[C@H](CNc1ccc(S(C)(=O)=O)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000288052097 532816041 /nfs/dbraw/zinc/81/60/41/532816041.db2.gz UMQZEIUVDOHVPS-GFCCVEGCSA-N 1 0 379.448 2.157 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000272694343 532816784 /nfs/dbraw/zinc/81/67/84/532816784.db2.gz OMCUSJZYDQDASE-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)C1(C)C ZINC000414089046 532818581 /nfs/dbraw/zinc/81/85/81/532818581.db2.gz JPCQAELCNLERCR-HRCADAONSA-N 1 0 376.563 2.047 20 0 GEADRO COc1ccc(C[C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)cn1 ZINC000414070871 532818644 /nfs/dbraw/zinc/81/86/44/532818644.db2.gz KESVXUBMHFXXIF-CYBMUJFWSA-N 1 0 383.901 2.243 20 0 GEADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1(C)C ZINC000414098482 532818961 /nfs/dbraw/zinc/81/89/61/532818961.db2.gz JQXNMVZFUJYNLQ-MELADBBJSA-N 1 0 375.556 2.455 20 0 GEADRO Cc1c([C@@H](C)[NH2+]C[C@H]2CNC(=O)C2)nnn1-c1cccc(Br)c1 ZINC000414187942 532819874 /nfs/dbraw/zinc/81/98/74/532819874.db2.gz IPHIWSOELKZAOV-PWSUYJOCSA-N 1 0 378.274 2.125 20 0 GEADRO COC(=O)CC[NH+]1CCC2(CC1)Nc1ccc(Br)cc1C(=O)N2C ZINC000414210061 532820318 /nfs/dbraw/zinc/82/03/18/532820318.db2.gz NBPCNPINRQIHTB-UHFFFAOYSA-N 1 0 396.285 2.302 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000288205072 532820582 /nfs/dbraw/zinc/82/05/82/532820582.db2.gz PTABVTFTMSZICP-NXEZZACHSA-N 1 0 376.404 2.186 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCn1cc(Br)cn1 ZINC000288121991 532818070 /nfs/dbraw/zinc/81/80/70/532818070.db2.gz KKCSXCCBGXDBAZ-UHFFFAOYSA-N 1 0 384.278 2.012 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1C ZINC000330517278 532820844 /nfs/dbraw/zinc/82/08/44/532820844.db2.gz XJNIAQUGJRSDON-CQSZACIVSA-N 1 0 391.331 2.147 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000330548499 532821451 /nfs/dbraw/zinc/82/14/51/532821451.db2.gz CXNADBNATVSARC-UHFFFAOYSA-N 1 0 384.318 2.380 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cc(C)n(C)n2)c1 ZINC000414351524 532821682 /nfs/dbraw/zinc/82/16/82/532821682.db2.gz RUUYKXRIPXGVLC-UHFFFAOYSA-N 1 0 395.301 2.409 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)nn1 ZINC000414353270 532821884 /nfs/dbraw/zinc/82/18/84/532821884.db2.gz ROKIUTBLEMYIDI-CQSZACIVSA-N 1 0 396.264 2.336 20 0 GEADRO COC(=O)C(C)(C)CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000288250280 532822164 /nfs/dbraw/zinc/82/21/64/532822164.db2.gz GUCBFACAMLBZLJ-AWEZNQCLSA-N 1 0 388.555 2.079 20 0 GEADRO C[NH+](C)C1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000330609830 532822196 /nfs/dbraw/zinc/82/21/96/532822196.db2.gz OIEJLDPGLYJCAM-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)Nc1ccc(F)cc1Cl ZINC000330614176 532822236 /nfs/dbraw/zinc/82/22/36/532822236.db2.gz SPQXNFOBGLLHBX-NZVBXONLSA-N 1 0 391.896 2.256 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C(F)(F)F ZINC000288262057 532822437 /nfs/dbraw/zinc/82/24/37/532822437.db2.gz CIOQLKBYLUKMRP-SECBINFHSA-N 1 0 381.782 2.286 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C(F)(F)F ZINC000288262059 532822445 /nfs/dbraw/zinc/82/24/45/532822445.db2.gz CIOQLKBYLUKMRP-VIFPVBQESA-N 1 0 381.782 2.286 20 0 GEADRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C2 ZINC000414365316 532822496 /nfs/dbraw/zinc/82/24/96/532822496.db2.gz KOABCPXSIUXJOI-ZDUSSCGKSA-N 1 0 382.869 2.089 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000330607009 532822506 /nfs/dbraw/zinc/82/25/06/532822506.db2.gz LENZQVVNCPRADS-UPJWGTAASA-N 1 0 382.302 2.118 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000273312919 532822726 /nfs/dbraw/zinc/82/27/26/532822726.db2.gz XHBJTSCGGZQBFR-BBRMVZONSA-N 1 0 392.301 2.210 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c(Br)c1 ZINC000330630028 532822919 /nfs/dbraw/zinc/82/29/19/532822919.db2.gz CCHDCJJRMZNVMV-IIAWOOMASA-N 1 0 399.329 2.438 20 0 GEADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000330621264 532823106 /nfs/dbraw/zinc/82/31/06/532823106.db2.gz BHZRIYLIWNRQAK-STQMWFEESA-N 1 0 382.302 2.120 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCOCC1 ZINC000414382840 532823185 /nfs/dbraw/zinc/82/31/85/532823185.db2.gz SCEORMCNRQKIKH-SNVBAGLBSA-N 1 0 377.304 2.001 20 0 GEADRO CS[C@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)C[C@@H]1[NH+]1CCCC1 ZINC000273529769 532825510 /nfs/dbraw/zinc/82/55/10/532825510.db2.gz QYYUNRHZSWGCAW-HOTGVXAUSA-N 1 0 377.539 2.040 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(OC)c(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000330685572 532825730 /nfs/dbraw/zinc/82/57/30/532825730.db2.gz LLURORMLXDDCLB-TZMCWYRMSA-N 1 0 385.302 2.375 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1Br ZINC000288304314 532823936 /nfs/dbraw/zinc/82/39/36/532823936.db2.gz WLRLRMXTSFOVFQ-GXTWGEPZSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@H](C)[N@H+]1C ZINC000330788192 532827385 /nfs/dbraw/zinc/82/73/85/532827385.db2.gz QMNGTIANXJYTNM-BETUJISGSA-N 1 0 382.302 2.120 20 0 GEADRO CCCN(CC)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000288463880 532828245 /nfs/dbraw/zinc/82/82/45/532828245.db2.gz FANBESNWLVVQDU-UHFFFAOYSA-N 1 0 381.274 2.280 20 0 GEADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000414455538 532828322 /nfs/dbraw/zinc/82/83/22/532828322.db2.gz CGUPKYIZCFHKRR-UHFFFAOYSA-N 1 0 383.258 2.442 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(C)nn2)cc1Br ZINC000414474933 532830273 /nfs/dbraw/zinc/83/02/73/532830273.db2.gz XBZPGRMWNSHNDL-AWEZNQCLSA-N 1 0 380.286 2.497 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)[C@@H](C)C1 ZINC000330892217 532829287 /nfs/dbraw/zinc/82/92/87/532829287.db2.gz KPVUHPHHSBIPDW-BLLLJJGKSA-N 1 0 388.917 2.477 20 0 GEADRO C[C@H]1C[C@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CC[N@@H+]1C ZINC000330902176 532829315 /nfs/dbraw/zinc/82/93/15/532829315.db2.gz KWRATGNKRKOMSS-WDEREUQCSA-N 1 0 388.331 2.182 20 0 GEADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330993773 532831664 /nfs/dbraw/zinc/83/16/64/532831664.db2.gz HWKICNPIIITNOO-UONOGXRCSA-N 1 0 391.331 2.408 20 0 GEADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000414505300 532831837 /nfs/dbraw/zinc/83/18/37/532831837.db2.gz ZNSHYWRBPWMGKZ-HNNXBMFYSA-N 1 0 396.329 2.196 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000288597337 532832319 /nfs/dbraw/zinc/83/23/19/532832319.db2.gz KEMICLUMFQPZRC-KGLIPLIRSA-N 1 0 399.285 2.402 20 0 GEADRO [NH3+][C@H]1CCc2nc(NC(=O)CN3C(=S)N=NC3c3cccs3)sc2C1 ZINC000288588275 532832325 /nfs/dbraw/zinc/83/23/25/532832325.db2.gz JFMMLPHMGNJRTJ-QMMMGPOBSA-N 1 0 392.535 2.207 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+]Cc2cc(Br)ccc2Cl)nn1 ZINC000414566137 532832423 /nfs/dbraw/zinc/83/24/23/532832423.db2.gz HMIPJFDZZLPKLA-UHFFFAOYSA-N 1 0 386.681 2.363 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000414560573 532832573 /nfs/dbraw/zinc/83/25/73/532832573.db2.gz QYHWCVSDDNLPBG-KBXCAEBGSA-N 1 0 394.313 2.427 20 0 GEADRO CS[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1[NH+](C)C ZINC000273727045 532832665 /nfs/dbraw/zinc/83/26/65/532832665.db2.gz QEPCQQCLXWORSJ-CHWSQXEVSA-N 1 0 393.481 2.192 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]CCCn1cc(Br)cn1 ZINC000288561214 532831336 /nfs/dbraw/zinc/83/13/36/532831336.db2.gz YRCRDHQKWNFHKZ-UHFFFAOYSA-N 1 0 377.084 2.322 20 0 GEADRO CC(C)C[C@@H]([NH3+])CN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000414752445 532834820 /nfs/dbraw/zinc/83/48/20/532834820.db2.gz KQUNQKIFLXJICY-MRXNPFEDSA-N 1 0 397.361 2.379 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1Br ZINC000331163164 532834892 /nfs/dbraw/zinc/83/48/92/532834892.db2.gz FWULRTCOCWNQBS-ZIAGYGMSSA-N 1 0 391.331 2.278 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1cc(Br)ccc1Br ZINC000414785709 532835718 /nfs/dbraw/zinc/83/57/18/532835718.db2.gz VYPMKQVTKNJKFX-VIFPVBQESA-N 1 0 393.079 2.322 20 0 GEADRO COc1ccc(Br)c(CC(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000331193738 532835899 /nfs/dbraw/zinc/83/58/99/532835899.db2.gz LCMNGUPALIMLMW-UHFFFAOYSA-N 1 0 399.329 2.352 20 0 GEADRO COc1cc(CN[C@H]2C[NH2+]CC[C@@H]2C)cc(I)c1OC ZINC000414928664 532836329 /nfs/dbraw/zinc/83/63/29/532836329.db2.gz NDPFPIQFZAOBLB-GWCFXTLKSA-N 1 0 390.265 2.396 20 0 GEADRO CCOc1cc(Br)c(NC(=O)N(CC[NH3+])CCO)cc1OCC ZINC000415010912 532836577 /nfs/dbraw/zinc/83/65/77/532836577.db2.gz HJJDJCNYTNHJCI-UHFFFAOYSA-N 1 0 390.278 2.031 20 0 GEADRO CCCOc1c(Br)cc(CNC[C@@H]2C[NH2+]CCN2C)cc1OC ZINC000414967193 532836581 /nfs/dbraw/zinc/83/65/81/532836581.db2.gz PSOHOOCQVIIGIB-AWEZNQCLSA-N 1 0 386.334 2.240 20 0 GEADRO COc1cc(CNC[C@H]([NH3+])C(C)C)cc(I)c1OC ZINC000414789093 532835060 /nfs/dbraw/zinc/83/50/60/532835060.db2.gz DYIHLAFEGAPGRL-LBPRGKRZSA-N 1 0 378.254 2.381 20 0 GEADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCn1cc(Br)cn1 ZINC000288733665 532836694 /nfs/dbraw/zinc/83/66/94/532836694.db2.gz BKAZNEDOHQQNQT-DZGCQCFKSA-N 1 0 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PKLQFUIJTUKYRL-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)C1 ZINC000415282587 532840378 /nfs/dbraw/zinc/84/03/78/532840378.db2.gz MWEXCFWUSQQNBS-ZDUSSCGKSA-N 1 0 382.302 2.462 20 0 GEADRO O=C(Nc1cc(I)ccc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415275507 532840528 /nfs/dbraw/zinc/84/05/28/532840528.db2.gz YVOLFOOAZUJATG-VROVMSAKSA-N 1 0 377.613 2.284 20 0 GEADRO [NH3+]CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000415272781 532840582 /nfs/dbraw/zinc/84/05/82/532840582.db2.gz QHPJGNZXMXBXLZ-UHFFFAOYSA-N 1 0 389.321 2.373 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000288869716 532840751 /nfs/dbraw/zinc/84/07/51/532840751.db2.gz YKIIIDIYRMBLKU-LLVKDONJSA-N 1 0 383.659 2.422 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCO1 ZINC000415297586 532840775 /nfs/dbraw/zinc/84/07/75/532840775.db2.gz KDQPKSHKTONJJT-CYBMUJFWSA-N 1 0 383.290 2.241 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 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375.803 2.384 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415353300 532842624 /nfs/dbraw/zinc/84/26/24/532842624.db2.gz LLHLGCPLBWRYIK-VXGBXAGGSA-N 1 0 398.301 2.291 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415359474 532842633 /nfs/dbraw/zinc/84/26/33/532842633.db2.gz YPTZNZCJKOXDLH-GHMZBOCLSA-N 1 0 386.265 2.339 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000415355976 532842754 /nfs/dbraw/zinc/84/27/54/532842754.db2.gz PUBIFYZDXSRAKJ-LURJTMIESA-N 1 0 381.057 2.254 20 0 GEADRO CCS[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)C(C)C ZINC000274168087 532842775 /nfs/dbraw/zinc/84/27/75/532842775.db2.gz BJYZBTCEFGUGPU-MRXNPFEDSA-N 1 0 387.571 2.243 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000415366122 532842896 /nfs/dbraw/zinc/84/28/96/532842896.db2.gz DNQFWDIVSOWVJC-UHFFFAOYSA-N 1 0 391.269 2.322 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415378135 532842930 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Cn1ncc(C(=O)NCc2ccccc2OCC[NH+](C)C)c1Br ZINC000274197093 532844080 /nfs/dbraw/zinc/84/40/80/532844080.db2.gz LMDREPUDCMAJDG-UHFFFAOYSA-N 1 0 381.274 2.053 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000415399328 532844140 /nfs/dbraw/zinc/84/41/40/532844140.db2.gz MMDREQJPYPXZQM-UHFFFAOYSA-N 1 0 394.313 2.334 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000415403487 532844643 /nfs/dbraw/zinc/84/46/43/532844643.db2.gz KJSHZQPTXGSOMI-MNOVXSKESA-N 1 0 382.258 2.309 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cc1Br ZINC000415425038 532845076 /nfs/dbraw/zinc/84/50/76/532845076.db2.gz JJBXOEZODDRAIW-LBPRGKRZSA-N 1 0 386.290 2.276 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(F)cc1Br ZINC000415435965 532845355 /nfs/dbraw/zinc/84/53/55/532845355.db2.gz JCGRPPUTLUPEBZ-QWRGUYRKSA-N 1 0 386.265 2.421 20 0 GEADRO Cc1cc(NC(=O)N2CCO[C@H](C[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415432178 532845366 /nfs/dbraw/zinc/84/53/66/532845366.db2.gz UDABRCCOUIFIHL-GFCCVEGCSA-N 1 0 384.267 2.679 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CC[NH2+]1 ZINC000415440275 532845386 /nfs/dbraw/zinc/84/53/86/532845386.db2.gz RUBMQGKOEXVARZ-SECBINFHSA-N 1 0 379.766 2.040 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC[C@@H]1[NH3+] ZINC000415439413 532845467 /nfs/dbraw/zinc/84/54/67/532845467.db2.gz LSFBNEDMXKOTLG-KOLCDFICSA-N 1 0 375.803 2.118 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000415435562 532845621 /nfs/dbraw/zinc/84/56/21/532845621.db2.gz XTMMJTPUOBRVMD-LBPRGKRZSA-N 1 0 386.290 2.276 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000415451902 532845948 /nfs/dbraw/zinc/84/59/48/532845948.db2.gz KUECZZQJRSBINC-ABAIWWIYSA-N 1 0 398.301 2.371 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415449232 532846125 /nfs/dbraw/zinc/84/61/25/532846125.db2.gz VNIZDHDKBKHAAG-IUCAKERBSA-N 1 0 390.228 2.252 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000415465265 532846549 /nfs/dbraw/zinc/84/65/49/532846549.db2.gz FBOMFEGYKSJWSG-GFCCVEGCSA-N 1 0 384.274 2.125 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000415455691 532846642 /nfs/dbraw/zinc/84/66/42/532846642.db2.gz WIFCXQGGWGVLNX-UWVGGRQHSA-N 1 0 375.803 2.466 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000415481224 532846869 /nfs/dbraw/zinc/84/68/69/532846869.db2.gz VGDZYZSNSJKUOD-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)C1CC1 ZINC000415455244 532846369 /nfs/dbraw/zinc/84/63/69/532846369.db2.gz PKSNODGOAOPIKU-LLVKDONJSA-N 1 0 379.766 2.073 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415494318 532847318 /nfs/dbraw/zinc/84/73/18/532847318.db2.gz ZGLDDQBHHMPMIX-GHMZBOCLSA-N 1 0 379.262 2.231 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415494984 532847344 /nfs/dbraw/zinc/84/73/44/532847344.db2.gz FNSUGCIUBBNJMM-LLVKDONJSA-N 1 0 392.244 2.498 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415493768 532847346 /nfs/dbraw/zinc/84/73/46/532847346.db2.gz YWYNGLLBKUTLRE-JQWIXIFHSA-N 1 0 379.262 2.149 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)C1 ZINC000331989207 532847435 /nfs/dbraw/zinc/84/74/35/532847435.db2.gz YPYLVFWXHUJGSP-IUODEOHRSA-N 1 0 398.276 2.201 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415481046 532847072 /nfs/dbraw/zinc/84/70/72/532847072.db2.gz JYOAWQNPBWONTG-LBPRGKRZSA-N 1 0 379.262 2.246 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415493188 532847244 /nfs/dbraw/zinc/84/72/44/532847244.db2.gz GLBRZBWJEKJFBV-GFCCVEGCSA-N 1 0 386.265 2.111 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OCC)c(Br)c1 ZINC000415503016 532848055 /nfs/dbraw/zinc/84/80/55/532848055.db2.gz UGJUVFOFCJUZRE-GFCCVEGCSA-N 1 0 386.290 2.420 20 0 GEADRO [NH3+]C1(CNC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CCC1 ZINC000415500023 532847733 /nfs/dbraw/zinc/84/77/33/532847733.db2.gz MFZIHNCOITUNHC-UHFFFAOYSA-N 1 0 382.287 2.971 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415501550 532847823 /nfs/dbraw/zinc/84/78/23/532847823.db2.gz RRUSTGVZFIHFKA-SECBINFHSA-N 1 0 378.217 2.300 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000415502648 532847833 /nfs/dbraw/zinc/84/78/33/532847833.db2.gz XLEGOEIPERAXIS-UHFFFAOYSA-N 1 0 386.290 2.338 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415505224 532847870 /nfs/dbraw/zinc/84/78/70/532847870.db2.gz XNZBZFHBFBSCRY-LBPRGKRZSA-N 1 0 385.281 2.408 20 0 GEADRO Cc1nc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000415502963 532848022 /nfs/dbraw/zinc/84/80/22/532848022.db2.gz VVCFJCYYRYBANX-LBPRGKRZSA-N 1 0 383.290 2.372 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415509802 532848229 /nfs/dbraw/zinc/84/82/29/532848229.db2.gz INZIOFQTUKAGCA-SSDOTTSWSA-N 1 0 382.180 2.117 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1cccc2ccsc21)[C@@H]1CCS(=O)(=O)C1 ZINC000274336635 532848159 /nfs/dbraw/zinc/84/81/59/532848159.db2.gz CACZKOHYMNOENW-OAHLLOKOSA-N 1 0 380.535 2.482 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415538778 532849220 /nfs/dbraw/zinc/84/92/20/532849220.db2.gz IUZRWVQYLMQBHC-FUNVUKJBSA-N 1 0 396.285 2.138 20 0 GEADRO COCCOCCOCCC[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000274393370 532849339 /nfs/dbraw/zinc/84/93/39/532849339.db2.gz DUIDOORGFJJUNC-UHFFFAOYSA-N 1 0 392.290 2.323 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415535374 532849345 /nfs/dbraw/zinc/84/93/45/532849345.db2.gz DGOHOFMKYUNAOV-NXEZZACHSA-N 1 0 375.803 2.118 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415548998 532849802 /nfs/dbraw/zinc/84/98/02/532849802.db2.gz GAWFHLSFHIHMPZ-MRVPVSSYSA-N 1 0 392.681 2.293 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000415551106 532849861 /nfs/dbraw/zinc/84/98/61/532849861.db2.gz NUZXBRJHNZOUDE-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CCC1 ZINC000415557418 532849932 /nfs/dbraw/zinc/84/99/32/532849932.db2.gz HSMIDWQEILKDAM-UHFFFAOYSA-N 1 0 379.766 2.217 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415556306 532850055 /nfs/dbraw/zinc/85/00/55/532850055.db2.gz IDTFMMBEMVOEJN-VHSXEESVSA-N 1 0 375.803 2.131 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415565408 532850530 /nfs/dbraw/zinc/85/05/30/532850530.db2.gz LJYMDDCMZMAHAX-UHFFFAOYSA-N 1 0 384.267 2.032 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415573746 532850757 /nfs/dbraw/zinc/85/07/57/532850757.db2.gz ODNBDDWVRDIVPX-JQWIXIFHSA-N 1 0 391.269 2.132 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCC1 ZINC000415563475 532850304 /nfs/dbraw/zinc/85/03/04/532850304.db2.gz RHOUHQZOCCAPCF-UHFFFAOYSA-N 1 0 378.885 2.323 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000415567579 532850313 /nfs/dbraw/zinc/85/03/13/532850313.db2.gz JXNPDIAVMQWEQD-RYUDHWBXSA-N 1 0 398.301 2.371 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(F)cc(F)c1Br ZINC000415571225 532850427 /nfs/dbraw/zinc/85/04/27/532850427.db2.gz TYCMPRMTUFEIGR-UHFFFAOYSA-N 1 0 377.233 2.144 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415575298 532851004 /nfs/dbraw/zinc/85/10/04/532851004.db2.gz XDBISGOJUHRMSZ-WDEREUQCSA-N 1 0 391.269 2.145 20 0 GEADRO COC(=O)c1cc(NC(=O)NCC[C@H]2CC[NH2+]C2)cc(Br)c1F ZINC000415607540 532851347 /nfs/dbraw/zinc/85/13/47/532851347.db2.gz KOSUXLXJBLUOBI-SECBINFHSA-N 1 0 388.237 2.496 20 0 GEADRO Cn1cc(C(=O)N(CC(C)(C)C[NH+](C)C)c2ccc(Br)cn2)nn1 ZINC000415613131 532851398 /nfs/dbraw/zinc/85/13/98/532851398.db2.gz MMCZREZVKDVYPC-UHFFFAOYSA-N 1 0 395.305 2.207 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415638371 532851826 /nfs/dbraw/zinc/85/18/26/532851826.db2.gz BIMAACXLVSMXRD-RKDXNWHRSA-N 1 0 376.201 2.052 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415632829 532851902 /nfs/dbraw/zinc/85/19/02/532851902.db2.gz XGQAMSQFTHHIMT-LLVKDONJSA-N 1 0 376.226 2.480 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c(Br)c1 ZINC000332298128 532852040 /nfs/dbraw/zinc/85/20/40/532852040.db2.gz KPZMDZJLQXGHAF-OLZOCXBDSA-N 1 0 380.286 2.072 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415632367 532851698 /nfs/dbraw/zinc/85/16/98/532851698.db2.gz GLCSYZGBCFHLKY-LLVKDONJSA-N 1 0 383.290 2.401 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415643087 532851732 /nfs/dbraw/zinc/85/17/32/532851732.db2.gz WMLNWKPYNDKTKE-UHFFFAOYSA-N 1 0 381.278 2.478 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415647543 532852224 /nfs/dbraw/zinc/85/22/24/532852224.db2.gz ATPJWXDBAAQGKR-GXFFZTMASA-N 1 0 391.269 2.050 20 0 GEADRO CS(=O)(=O)Cc1cccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000332347844 532852243 /nfs/dbraw/zinc/85/22/43/532852243.db2.gz XNZMSUKVZNJPQT-QGZVFWFLSA-N 1 0 382.551 2.387 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415649129 532852371 /nfs/dbraw/zinc/85/23/71/532852371.db2.gz PGBJJDJITLPQBL-OLZOCXBDSA-N 1 0 380.286 2.262 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415648744 532852396 /nfs/dbraw/zinc/85/23/96/532852396.db2.gz PBMWZTLLFMWJNH-NXEZZACHSA-N 1 0 375.803 2.309 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415662349 532852526 /nfs/dbraw/zinc/85/25/26/532852526.db2.gz RIHSFESUFCTNHH-QMMMGPOBSA-N 1 0 379.661 2.267 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000415659943 532852535 /nfs/dbraw/zinc/85/25/35/532852535.db2.gz RPBSZFGZVYYHSS-LLVKDONJSA-N 1 0 386.290 2.289 20 0 GEADRO COc1ncc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1Br ZINC000332359027 532852655 /nfs/dbraw/zinc/85/26/55/532852655.db2.gz IZLMCGRUQZDVIS-LBPRGKRZSA-N 1 0 398.301 2.178 20 0 GEADRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C(N)=O ZINC000289339788 532852867 /nfs/dbraw/zinc/85/28/67/532852867.db2.gz LUDPPWKSIBOKCH-CQSZACIVSA-N 1 0 378.217 2.155 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)C1CC1 ZINC000274662569 532853536 /nfs/dbraw/zinc/85/35/36/532853536.db2.gz WROFPZHPXKNAHU-UHFFFAOYSA-N 1 0 389.681 2.037 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415680003 532853669 /nfs/dbraw/zinc/85/36/69/532853669.db2.gz PODLDMXIHOUEOD-DGCLKSJQSA-N 1 0 398.301 2.432 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000332373808 532853702 /nfs/dbraw/zinc/85/37/02/532853702.db2.gz YYCJQEFNTLHHJS-ZYHUDNBSSA-N 1 0 398.276 2.063 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415693052 532854177 /nfs/dbraw/zinc/85/41/77/532854177.db2.gz PFQNPHFYJNQHSJ-QGZVFWFLSA-N 1 0 398.301 2.372 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[NH2+]1 ZINC000415683337 532853764 /nfs/dbraw/zinc/85/37/64/532853764.db2.gz SNBFEKTZCSPOJU-HTQZYQBOSA-N 1 0 392.656 2.437 20 0 GEADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415679319 532853766 /nfs/dbraw/zinc/85/37/66/532853766.db2.gz YHNPTZSSTBHJCA-PHIMTYICSA-N 1 0 376.869 2.080 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415694211 532853892 /nfs/dbraw/zinc/85/38/92/532853892.db2.gz QOBXOCGNXPMISL-KRWDZBQOSA-N 1 0 380.286 2.074 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415696583 532854007 /nfs/dbraw/zinc/85/40/07/532854007.db2.gz ZRZRDCSKQBZBSN-VIFPVBQESA-N 1 0 390.228 2.253 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415694652 532854109 /nfs/dbraw/zinc/85/41/09/532854109.db2.gz VUUVDOHBXHNWTR-NSHDSACASA-N 1 0 386.265 2.423 20 0 GEADRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)ccc1Br ZINC000332399000 532854554 /nfs/dbraw/zinc/85/45/54/532854554.db2.gz MNGNWAPHFUYTIU-INIZCTEOSA-N 1 0 394.313 2.182 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1Br ZINC000415712404 532854569 /nfs/dbraw/zinc/85/45/69/532854569.db2.gz UVEATNKYXPZUEJ-GWCFXTLKSA-N 1 0 383.290 2.400 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1nc2c(cccc2Br)s1 ZINC000415713586 532854610 /nfs/dbraw/zinc/85/46/10/532854610.db2.gz XCZPCTFBSJUCPS-UHFFFAOYSA-N 1 0 384.303 2.086 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(I)cc2Cl)CCCO1 ZINC000332385185 532854202 /nfs/dbraw/zinc/85/42/02/532854202.db2.gz ZMJVPXWLVMFNQP-SNVBAGLBSA-N 1 0 394.640 2.134 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)c1Br ZINC000415704063 532854229 /nfs/dbraw/zinc/85/42/29/532854229.db2.gz GYYWOIPACGFKIY-CYBMUJFWSA-N 1 0 383.290 2.448 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415737114 532855037 /nfs/dbraw/zinc/85/50/37/532855037.db2.gz BUZJTRSOZHWAHJ-QMMMGPOBSA-N 1 0 378.217 2.300 20 0 GEADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415749510 532855432 /nfs/dbraw/zinc/85/54/32/532855432.db2.gz RBWXAMLSIKTHCV-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415730759 532855132 /nfs/dbraw/zinc/85/51/32/532855132.db2.gz URZITGUCBQQZCN-VIFPVBQESA-N 1 0 386.246 2.057 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415746040 532855509 /nfs/dbraw/zinc/85/55/09/532855509.db2.gz UCSZHDRXGSJFOZ-MRVPVSSYSA-N 1 0 378.217 2.300 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)[C@H](C)C[NH2+]1 ZINC000332466044 532855774 /nfs/dbraw/zinc/85/57/74/532855774.db2.gz QOOFJTILWAUCQK-GHMZBOCLSA-N 1 0 384.274 2.112 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415761684 532855936 /nfs/dbraw/zinc/85/59/36/532855936.db2.gz ULRUVFMUAUMFIB-RYUDHWBXSA-N 1 0 378.274 2.836 20 0 GEADRO O=c1nc(C2CC[NH+](Cc3nc4cc(Br)ccc4o3)CC2)[nH][nH]1 ZINC000289477458 532856221 /nfs/dbraw/zinc/85/62/21/532856221.db2.gz RLRCSNXMHAOIRL-UHFFFAOYSA-N 1 0 378.230 2.381 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)C[C@H]1C ZINC000332489673 532856269 /nfs/dbraw/zinc/85/62/69/532856269.db2.gz ACGOZONCXCYCAW-OLZOCXBDSA-N 1 0 395.297 2.138 20 0 GEADRO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)N[C@H](CC[NH3+])C(F)F)nc21 ZINC000415767543 532856460 /nfs/dbraw/zinc/85/64/60/532856460.db2.gz XPRJKCHCWHBIGL-RKDXNWHRSA-N 1 0 376.429 2.230 20 0 GEADRO [NH3+]CC1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000415762585 532856476 /nfs/dbraw/zinc/85/64/76/532856476.db2.gz WQZLGXYFDNLHIO-UHFFFAOYSA-N 1 0 378.274 2.837 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415764668 532856517 /nfs/dbraw/zinc/85/65/17/532856517.db2.gz ZXYFNLXTBVOZAF-CYBMUJFWSA-N 1 0 378.274 2.851 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332591824 532857139 /nfs/dbraw/zinc/85/71/39/532857139.db2.gz MBOVZVDUHRZCCV-NXEZZACHSA-N 1 0 386.677 2.109 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br)C1CC([NH3+])C1 ZINC000415782213 532857402 /nfs/dbraw/zinc/85/74/02/532857402.db2.gz BAJWIYCVHFDMSH-UHFFFAOYSA-N 1 0 394.191 2.355 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000415796936 532857876 /nfs/dbraw/zinc/85/78/76/532857876.db2.gz ZVDLVTNXZAYFNP-LBPRGKRZSA-N 1 0 383.290 2.372 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)C[C@H]1C[NH3+] ZINC000332601390 532858062 /nfs/dbraw/zinc/85/80/62/532858062.db2.gz NHSGGUMYHQNXJC-WCQYABFASA-N 1 0 384.307 2.321 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415808018 532858332 /nfs/dbraw/zinc/85/83/32/532858332.db2.gz LOPLCORHOWZZBD-WDEREUQCSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000415807570 532858349 /nfs/dbraw/zinc/85/83/49/532858349.db2.gz NCUCAAODIWHPEM-NKWVEPMBSA-N 1 0 382.180 2.258 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1Br ZINC000415824487 532858781 /nfs/dbraw/zinc/85/87/81/532858781.db2.gz VLPCDYJCGIYAGY-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415818208 532858835 /nfs/dbraw/zinc/85/88/35/532858835.db2.gz ZOZNAGYVWTVEKR-BQBZGAKWSA-N 1 0 393.079 2.002 20 0 GEADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415818135 532858850 /nfs/dbraw/zinc/85/88/50/532858850.db2.gz SILZUHFVYGCSOD-SKDRFNHKSA-N 1 0 389.855 2.456 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415805108 532858421 /nfs/dbraw/zinc/85/84/21/532858421.db2.gz MUFLBDVJIKYVQZ-ZDUSSCGKSA-N 1 0 398.276 2.126 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC[N@@H+]1C ZINC000332616678 532858478 /nfs/dbraw/zinc/85/84/78/532858478.db2.gz DBPICKOSQJAUME-RDBSUJKOSA-N 1 0 394.313 2.401 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[NH2+]1 ZINC000415821287 532858681 /nfs/dbraw/zinc/85/86/81/532858681.db2.gz GHLPJADNQQCLIK-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415832432 532859386 /nfs/dbraw/zinc/85/93/86/532859386.db2.gz LHDFASWLIIAKLF-MNOVXSKESA-N 1 0 384.274 2.030 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c(Br)c1 ZINC000415829384 532859400 /nfs/dbraw/zinc/85/94/00/532859400.db2.gz DYTMYHGOYQFSQD-SNVBAGLBSA-N 1 0 396.207 2.400 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1Br ZINC000415830796 532859443 /nfs/dbraw/zinc/85/94/43/532859443.db2.gz GVJNZXXAAMCRDD-JTQLQIEISA-N 1 0 382.180 2.092 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)ccc1Br ZINC000415820803 532858973 /nfs/dbraw/zinc/85/89/73/532858973.db2.gz CSACBKVCOVYQDP-CYBMUJFWSA-N 1 0 384.274 2.030 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[NH2+]1 ZINC000415822237 532858985 /nfs/dbraw/zinc/85/89/85/532858985.db2.gz LDCPKBKDZYSSFF-UHFFFAOYSA-N 1 0 379.766 2.388 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)C(F)(F)F ZINC000415829026 532859282 /nfs/dbraw/zinc/85/92/82/532859282.db2.gz DQVARFKOBACKKK-SECBINFHSA-N 1 0 376.137 2.467 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415839252 532859856 /nfs/dbraw/zinc/85/98/56/532859856.db2.gz SBAPXTQDUJTCSP-KOLCDFICSA-N 1 0 375.803 2.166 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C[C@H]1C[NH3+] ZINC000415838378 532859865 /nfs/dbraw/zinc/85/98/65/532859865.db2.gz DBJVUBLRUNGPEM-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415843827 532860187 /nfs/dbraw/zinc/86/01/87/532860187.db2.gz SVMXTCWIDUDFJU-ZWNOBZJWSA-N 1 0 380.286 2.120 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(Br)c1 ZINC000289605583 532860294 /nfs/dbraw/zinc/86/02/94/532860294.db2.gz KZSJDLLAQFAHFX-SJCJKPOMSA-N 1 0 396.285 2.410 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C[C@H]1C[NH3+] ZINC000415855090 532860551 /nfs/dbraw/zinc/86/05/51/532860551.db2.gz XVQMLJGAPGSXAC-BXUZGUMPSA-N 1 0 394.313 2.320 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C[C@H]1C[NH3+] ZINC000415855608 532860585 /nfs/dbraw/zinc/86/05/85/532860585.db2.gz YQGFQKCLUOVVJF-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000332694695 532860774 /nfs/dbraw/zinc/86/07/74/532860774.db2.gz VRINNWMXEHVHGT-INWMFGNUSA-N 1 0 394.313 2.401 20 0 GEADRO O=C(Nc1ccc(Cl)cc1OCC(F)F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415859992 532861030 /nfs/dbraw/zinc/86/10/30/532861030.db2.gz BJKMXXXPVZQIRQ-NSHDSACASA-N 1 0 375.803 2.181 20 0 GEADRO O=C(Nc1ccccc1Br)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000289622195 532860903 /nfs/dbraw/zinc/86/09/03/532860903.db2.gz BDSVGLHWZNBKIR-UHFFFAOYSA-N 1 0 395.301 2.125 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C[C@@]1(C)C[NH3+] ZINC000415859899 532861230 /nfs/dbraw/zinc/86/12/30/532861230.db2.gz HBAOWHHKXOHKIE-RFAUZJTJSA-N 1 0 388.693 2.484 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415878116 532861575 /nfs/dbraw/zinc/86/15/75/532861575.db2.gz LYSWWIVNWBLJHZ-IJLUTSLNSA-N 1 0 398.276 2.339 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415877674 532861604 /nfs/dbraw/zinc/86/16/04/532861604.db2.gz KVKPTANIGNOLTD-UHFFFAOYSA-N 1 0 396.285 2.212 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415879182 532861631 /nfs/dbraw/zinc/86/16/31/532861631.db2.gz PACDKYBLZVUUNK-RWMBFGLXSA-N 1 0 380.286 2.200 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415871126 532861461 /nfs/dbraw/zinc/86/14/61/532861461.db2.gz GQNCZYOTOLAQRN-UHFFFAOYSA-N 1 0 386.677 2.467 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000332910886 532862079 /nfs/dbraw/zinc/86/20/79/532862079.db2.gz JCTDDLOCFMAQHW-NHYWBVRUSA-N 1 0 395.297 2.362 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415971008 532862450 /nfs/dbraw/zinc/86/24/50/532862450.db2.gz MLYHTMUNHHTINU-SNVBAGLBSA-N 1 0 381.420 2.451 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415882880 532862156 /nfs/dbraw/zinc/86/21/56/532862156.db2.gz XMPMVBOKSJTEKT-GMTAPVOTSA-N 1 0 386.279 2.445 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCCC1CCN(CC(F)(F)F)CC1)C(F)(F)F ZINC000416002970 532862539 /nfs/dbraw/zinc/86/25/39/532862539.db2.gz FZPMTAZLMKSHIG-LLVKDONJSA-N 1 0 378.361 2.230 20 0 GEADRO CC1(C)CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCS1(=O)=O ZINC000415952040 532862554 /nfs/dbraw/zinc/86/25/54/532862554.db2.gz GOLHGNHISVAJAF-UHFFFAOYSA-N 1 0 379.404 2.205 20 0 GEADRO Cc1nn(C)c(C)c1[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C(F)(F)F ZINC000416015014 532862981 /nfs/dbraw/zinc/86/29/81/532862981.db2.gz VVASYIWZROWDQW-WPRPVWTQSA-N 1 0 375.317 2.219 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C(F)(F)F ZINC000416012545 532863044 /nfs/dbraw/zinc/86/30/44/532863044.db2.gz SLUWLZGKKQKERF-NWDGAFQWSA-N 1 0 378.782 2.024 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(F)(F)F ZINC000416005930 532863070 /nfs/dbraw/zinc/86/30/70/532863070.db2.gz KLBYRNRAKDAAHE-BXKDBHETSA-N 1 0 378.782 2.024 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@H](C)S(C)(=O)=O ZINC000416166560 532865710 /nfs/dbraw/zinc/86/57/10/532865710.db2.gz MSIOZCRLSHTCPY-NEPJUHHUSA-N 1 0 376.906 2.288 20 0 GEADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000289837825 532866040 /nfs/dbraw/zinc/86/60/40/532866040.db2.gz DZVDZQGVEKDNOC-WDEREUQCSA-N 1 0 378.279 2.400 20 0 GEADRO Cn1cc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(Br)c1=O ZINC000333191141 532865900 /nfs/dbraw/zinc/86/59/00/532865900.db2.gz SDRULJVSZNENIH-NEPJUHHUSA-N 1 0 383.290 2.001 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000333303501 532866411 /nfs/dbraw/zinc/86/64/11/532866411.db2.gz KOKRMEMPMPPPKY-SECBINFHSA-N 1 0 382.287 2.793 20 0 GEADRO Cc1nn(C)c(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1Br ZINC000333356248 532867697 /nfs/dbraw/zinc/86/76/97/532867697.db2.gz WSEKGEZGBLCGDM-GOEBONIOSA-N 1 0 385.350 2.349 20 0 GEADRO Cc1nc2ccc(Br)cn2c1-c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000289922421 532867740 /nfs/dbraw/zinc/86/77/40/532867740.db2.gz XRLKQGVDMWBWIF-LBPRGKRZSA-N 1 0 389.257 2.128 20 0 GEADRO O=C(Nc1ccc(-c2ccc(Br)s2)nn1)N1CCC[NH2+]CC1 ZINC000333360384 532867746 /nfs/dbraw/zinc/86/77/46/532867746.db2.gz STFUKFCSWNFFGH-UHFFFAOYSA-N 1 0 382.287 2.795 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CCCS1(=O)=O ZINC000289903424 532867915 /nfs/dbraw/zinc/86/79/15/532867915.db2.gz YQWAGWYNDNMDGB-NSHDSACASA-N 1 0 379.295 2.144 20 0 GEADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000275187716 532868007 /nfs/dbraw/zinc/86/80/07/532868007.db2.gz CIMSPFKXVDKESP-APHBMKBZSA-N 1 0 385.555 2.315 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000416304085 532870176 /nfs/dbraw/zinc/87/01/76/532870176.db2.gz TWLGBYCLUIBZOY-LBPRGKRZSA-N 1 0 380.286 2.012 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1cc(F)ccc1Br ZINC000416307712 532870180 /nfs/dbraw/zinc/87/01/80/532870180.db2.gz LDULSLHYKQJSGJ-STQMWFEESA-N 1 0 387.293 2.434 20 0 GEADRO O=C(c1cc(Br)ccc1F)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333547288 532870240 /nfs/dbraw/zinc/87/02/40/532870240.db2.gz TWUASPQNCBNFKS-CYBMUJFWSA-N 1 0 398.276 2.015 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000416304084 532870392 /nfs/dbraw/zinc/87/03/92/532870392.db2.gz TWLGBYCLUIBZOY-GFCCVEGCSA-N 1 0 380.286 2.012 20 0 GEADRO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333533244 532870625 /nfs/dbraw/zinc/87/06/25/532870625.db2.gz JNFPZHMKNAQRHF-VBNZEHGJSA-N 1 0 392.297 2.012 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333541655 532870300 /nfs/dbraw/zinc/87/03/00/532870300.db2.gz IAJYROBINHKJBS-UHFFFAOYSA-N 1 0 380.901 2.474 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1cccc(F)c1Br ZINC000416316844 532871257 /nfs/dbraw/zinc/87/12/57/532871257.db2.gz WEZGAWGRGRUAMF-QWHCGFSZSA-N 1 0 387.293 2.434 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000333727349 532872340 /nfs/dbraw/zinc/87/23/40/532872340.db2.gz WBYFVOWGKYJVBT-ZDUSSCGKSA-N 1 0 383.290 2.339 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000333720088 532872510 /nfs/dbraw/zinc/87/25/10/532872510.db2.gz GMHBVUQAGNVJEA-KMUNFCNLSA-N 1 0 385.295 2.396 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1C(F)F ZINC000416369695 532872524 /nfs/dbraw/zinc/87/25/24/532872524.db2.gz IWJSEHNDWIQVOP-CYBMUJFWSA-N 1 0 378.489 2.455 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)nc12 ZINC000333727566 532872556 /nfs/dbraw/zinc/87/25/56/532872556.db2.gz HGXDMDCPXKDGHJ-STQMWFEESA-N 1 0 392.301 2.156 20 0 GEADRO O=C(Cc1cccc(Cl)c1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333746428 532872821 /nfs/dbraw/zinc/87/28/21/532872821.db2.gz MMKJWYIWWMJOIQ-CQSZACIVSA-N 1 0 384.307 2.349 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333781378 532873370 /nfs/dbraw/zinc/87/33/70/532873370.db2.gz KWBXJZCVDDVPKV-ONERCXAPSA-N 1 0 383.279 2.102 20 0 GEADRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C1CCS(=O)(=O)CC1 ZINC000275337280 532873192 /nfs/dbraw/zinc/87/31/92/532873192.db2.gz NZWALKFNLHAAGQ-YPMHNXCESA-N 1 0 388.892 2.387 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1C(F)F ZINC000416374153 532873245 /nfs/dbraw/zinc/87/32/45/532873245.db2.gz SMSRBUJNDMYNAE-UHFFFAOYSA-N 1 0 378.489 2.407 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333790372 532873707 /nfs/dbraw/zinc/87/37/07/532873707.db2.gz GDTUJEIROFPDJL-BXUZGUMPSA-N 1 0 378.274 2.096 20 0 GEADRO CCOC(=O)CSc1cncc(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)n1 ZINC000275397352 532875306 /nfs/dbraw/zinc/87/53/06/532875306.db2.gz DGJZBRDYMUTHFR-ZIAGYGMSSA-N 1 0 382.555 2.148 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416395564 532875760 /nfs/dbraw/zinc/87/57/60/532875760.db2.gz ZDTGNBGHVOIDKE-LLVKDONJSA-N 1 0 375.922 2.017 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc3cnccc32)C[C@@H]1[NH+]1CCCC1 ZINC000275525038 532878052 /nfs/dbraw/zinc/87/80/52/532878052.db2.gz WHPXLQAPYOIZBQ-IRXDYDNUSA-N 1 0 377.535 2.435 20 0 GEADRO C[C@@H]1CN(C(=O)NCCc2ccc(I)s2)[C@H](C)C[NH2+]1 ZINC000417442333 532879990 /nfs/dbraw/zinc/87/99/90/532879990.db2.gz UEAOGURIVOAXKW-NXEZZACHSA-N 1 0 393.294 2.287 20 0 GEADRO CSc1nnc(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000275564011 532879021 /nfs/dbraw/zinc/87/90/21/532879021.db2.gz FHVQYCDFTTZVFY-UHFFFAOYSA-N 1 0 378.527 2.119 20 0 GEADRO [NH3+]C1CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000417265894 532879422 /nfs/dbraw/zinc/87/94/22/532879422.db2.gz VRCJYVJBJJHBRK-CYBMUJFWSA-N 1 0 381.318 2.408 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccc(I)s1 ZINC000417442351 532879787 /nfs/dbraw/zinc/87/97/87/532879787.db2.gz UHXQVYZFEUULTB-MWLCHTKSSA-N 1 0 393.294 2.192 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)NCCc2ccc(I)s2)[C@@H]1C ZINC000417443673 532879808 /nfs/dbraw/zinc/87/98/08/532879808.db2.gz ZJOSEVOMVUNZQW-NXEZZACHSA-N 1 0 393.294 2.287 20 0 GEADRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000275723422 532881963 /nfs/dbraw/zinc/88/19/63/532881963.db2.gz ZFOGVNYVSYPVMN-ZFWWWQNUSA-N 1 0 376.258 2.450 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000419527997 532882151 /nfs/dbraw/zinc/88/21/51/532882151.db2.gz VOMXBSDUJWMKHR-BETUJISGSA-N 1 0 396.329 2.052 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000419873993 532883109 /nfs/dbraw/zinc/88/31/09/532883109.db2.gz VOFPMLGUDBIGQJ-CZUORRHYSA-N 1 0 375.519 2.137 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419873285 532883223 /nfs/dbraw/zinc/88/32/23/532883223.db2.gz YXPDNZQWELBZJP-HABKJSAYSA-N 1 0 394.313 2.368 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000419886323 532883278 /nfs/dbraw/zinc/88/32/78/532883278.db2.gz ZTLGZGXDLWAIPU-UHFFFAOYSA-N 1 0 394.313 2.326 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419878355 532883368 /nfs/dbraw/zinc/88/33/68/532883368.db2.gz GFVMZGKMONWEIZ-BFHYXJOUSA-N 1 0 396.329 2.473 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420451390 532883507 /nfs/dbraw/zinc/88/35/07/532883507.db2.gz QJEGPQYAALRFES-QPUJVOFHSA-N 1 0 381.242 2.100 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420454910 532883594 /nfs/dbraw/zinc/88/35/94/532883594.db2.gz FILODIQAHCLHPU-LRDDRELGSA-N 1 0 386.901 2.279 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000420460159 532883604 /nfs/dbraw/zinc/88/36/04/532883604.db2.gz KOWWXURARADPLM-NSHDSACASA-N 1 0 386.848 2.016 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418437313 532880634 /nfs/dbraw/zinc/88/06/34/532880634.db2.gz HXUJQTDPOVKASE-LLVKDONJSA-N 1 0 378.336 2.388 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C1CC1 ZINC000418412682 532880651 /nfs/dbraw/zinc/88/06/51/532880651.db2.gz YBBOGVQIAQQQBB-ZDUSSCGKSA-N 1 0 387.347 2.075 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418436353 532880715 /nfs/dbraw/zinc/88/07/15/532880715.db2.gz GRRPNSIZVLHOCX-FZMZJTMJSA-N 1 0 376.270 2.294 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000418425890 532880805 /nfs/dbraw/zinc/88/08/05/532880805.db2.gz KSFCKGKAOGIJIH-GFCCVEGCSA-N 1 0 388.306 2.006 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418434498 532880890 /nfs/dbraw/zinc/88/08/90/532880890.db2.gz FDDZEPZOJVPZBJ-HIFRSBDPSA-N 1 0 386.334 2.273 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418419292 532880898 /nfs/dbraw/zinc/88/08/98/532880898.db2.gz YRJSVTVYAGXYLV-GFCCVEGCSA-N 1 0 382.262 2.282 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418463102 532881014 /nfs/dbraw/zinc/88/10/14/532881014.db2.gz KXOTWDDKMYJURD-SWLSCSKDSA-N 1 0 397.317 2.149 20 0 GEADRO CCC[NH2+]CCNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418467147 532881049 /nfs/dbraw/zinc/88/10/49/532881049.db2.gz IABYMGPLTUTUJW-UHFFFAOYSA-N 1 0 383.334 2.276 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418440110 532881132 /nfs/dbraw/zinc/88/11/32/532881132.db2.gz KJDZRFWQXYFEOZ-GOEBONIOSA-N 1 0 386.334 2.273 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418446358 532881308 /nfs/dbraw/zinc/88/13/08/532881308.db2.gz PIVNBHQMAGLADV-CQSZACIVSA-N 1 0 390.297 2.466 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418461350 532881322 /nfs/dbraw/zinc/88/13/22/532881322.db2.gz IUOBCWXLFNZWAD-UKRRQHHQSA-N 1 0 386.334 2.417 20 0 GEADRO O=C(NCCSc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418918392 532881415 /nfs/dbraw/zinc/88/14/15/532881415.db2.gz VNGGIFMZWNGKGW-VNHYZAJKSA-N 1 0 381.929 2.053 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000275839637 532884123 /nfs/dbraw/zinc/88/41/23/532884123.db2.gz ZGVFBOFCNSIESJ-VNHYZAJKSA-N 1 0 380.286 2.188 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000290560169 532884382 /nfs/dbraw/zinc/88/43/82/532884382.db2.gz FUWFYJLICQYITB-UHFFFAOYSA-N 1 0 386.327 2.183 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000421304181 532890063 /nfs/dbraw/zinc/89/00/63/532890063.db2.gz TURLKRRNYFQQHF-JTQLQIEISA-N 1 0 390.228 2.218 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1COc2ccc(Br)cc21 ZINC000360733584 532890253 /nfs/dbraw/zinc/89/02/53/532890253.db2.gz LXHJKFMNNRGYGB-GDBMZVCRSA-N 1 0 395.297 2.295 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2c(c(Br)c1)OCO2 ZINC000360870749 532891027 /nfs/dbraw/zinc/89/10/27/532891027.db2.gz GWKZWIIHNMBRCY-CYBMUJFWSA-N 1 0 397.269 2.161 20 0 GEADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000360852047 532891174 /nfs/dbraw/zinc/89/11/74/532891174.db2.gz UHMBKEUATYBFJA-QWRGUYRKSA-N 1 0 378.420 2.167 20 0 GEADRO Cc1cc(S(=O)(=O)NCCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)s1 ZINC000422998340 532892603 /nfs/dbraw/zinc/89/26/03/532892603.db2.gz PVXUMJYUPRSRMS-WMLDXEAASA-N 1 0 381.567 2.191 20 0 GEADRO COc1cc(Br)c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc1O ZINC000360670570 532890700 /nfs/dbraw/zinc/89/07/00/532890700.db2.gz IOMFHNYMRFGZSC-ZDUSSCGKSA-N 1 0 385.302 2.317 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000423043386 532893092 /nfs/dbraw/zinc/89/30/92/532893092.db2.gz OTIHCASWGUVDIW-MLGOLLRUSA-N 1 0 375.519 2.233 20 0 GEADRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423084432 532893368 /nfs/dbraw/zinc/89/33/68/532893368.db2.gz HYUUGVWUBNEOMN-BBRMVZONSA-N 1 0 379.302 2.491 20 0 GEADRO COC(=O)CCCN1CCC([NH2+]CCCn2cc(Br)cn2)CC1 ZINC000290998915 532894956 /nfs/dbraw/zinc/89/49/56/532894956.db2.gz BKOOPNDVCABROW-UHFFFAOYSA-N 1 0 387.322 2.043 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2ccc(Br)cc2)C(C)C)C1 ZINC000423098072 532893982 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COCC[C@@](C)(O)C[NH2+]Cc1c(Br)cncc1Br ZINC000290923855 532892789 /nfs/dbraw/zinc/89/27/89/532892789.db2.gz QWGQZHAKUJCBCZ-GFCCVEGCSA-N 1 0 382.096 2.484 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000423042977 532892819 /nfs/dbraw/zinc/89/28/19/532892819.db2.gz MUJKWHBWANOLQC-INIZCTEOSA-N 1 0 377.535 2.352 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000423041734 532893010 /nfs/dbraw/zinc/89/30/10/532893010.db2.gz JOHLOQZEQKIQJN-LRDDRELGSA-N 1 0 375.519 2.091 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000291202242 532898204 /nfs/dbraw/zinc/89/82/04/532898204.db2.gz AOWNLLDBPRPYAD-DGCLKSJQSA-N 1 0 397.317 2.328 20 0 GEADRO [NH3+]CC1(O)CCN(C(=O)CCOc2ccc(Cl)cc2Br)CC1 ZINC000424066943 532895084 /nfs/dbraw/zinc/89/50/84/532895084.db2.gz YXOLGMCCCXQQHL-UHFFFAOYSA-N 1 0 391.693 2.184 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CCCCO ZINC000276399343 532895466 /nfs/dbraw/zinc/89/54/66/532895466.db2.gz 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GEADRO O=C(c1nc(C2CC2)ncc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000291801571 532908732 /nfs/dbraw/zinc/90/87/32/532908732.db2.gz QQCNLVGVBXLZME-UHFFFAOYSA-N 1 0 395.301 2.053 20 0 GEADRO O=C(c1cc(I)c[nH]1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365539531 532910995 /nfs/dbraw/zinc/91/09/95/532910995.db2.gz QAXZNLVEVCVFIX-VHRBIJSZSA-N 1 0 385.249 2.176 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)c1c(I)cnn1C ZINC000292310921 532915341 /nfs/dbraw/zinc/91/53/41/532915341.db2.gz QPFPOUORYQOWRI-UHFFFAOYSA-N 1 0 392.285 2.267 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000366314673 532916254 /nfs/dbraw/zinc/91/62/54/532916254.db2.gz BRERYBSYSDYWMG-XHDPSFHLSA-N 1 0 387.299 2.024 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366286704 532915976 /nfs/dbraw/zinc/91/59/76/532915976.db2.gz OBCMJSJMTHSZPX-JOYOIKCWSA-N 1 0 379.707 2.475 20 0 GEADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3c(F)cccc3Br)C2)CC1 ZINC000365908708 532913180 /nfs/dbraw/zinc/91/31/80/532913180.db2.gz 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COC(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000292795893 532918617 /nfs/dbraw/zinc/91/86/17/532918617.db2.gz LYMYENPTTHIQSD-KRWDZBQOSA-N 1 0 386.901 2.233 20 0 GEADRO OC[C@@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1ccccc1OC(F)(F)F ZINC000292819502 532918851 /nfs/dbraw/zinc/91/88/51/532918851.db2.gz CYAWTILQANJAPN-MWLCHTKSSA-N 1 0 377.281 2.148 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000366941885 532922121 /nfs/dbraw/zinc/92/21/21/532922121.db2.gz VILUECXRLFHEGC-REBRKWNGSA-N 1 0 388.917 2.397 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000293105467 532922133 /nfs/dbraw/zinc/92/21/33/532922133.db2.gz GJIVOAHXDAAIQF-NSHDSACASA-N 1 0 386.290 2.100 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(F)cc1I ZINC000366942971 532922190 /nfs/dbraw/zinc/92/21/90/532922190.db2.gz JFPBDXISCQLFKW-UWVGGRQHSA-N 1 0 380.176 2.202 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(C)c(I)c1 ZINC000366943379 532922244 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CN(CCCNC(=O)CSCC(=O)c1ccc(Cl)cc1)CC[NH+](C)C ZINC000293481223 532927573 /nfs/dbraw/zinc/92/75/73/532927573.db2.gz REMBLHJSJFIKPI-UHFFFAOYSA-N 1 0 385.961 2.256 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccncc1I ZINC000367836459 532927650 /nfs/dbraw/zinc/92/76/50/532927650.db2.gz OXACDVFKMJCLLR-VXGBXAGGSA-N 1 0 385.249 2.385 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@@H+](C2CCC2)C1 ZINC000293494742 532927846 /nfs/dbraw/zinc/92/78/46/532927846.db2.gz VGVMYTYCGBDLRE-LBPRGKRZSA-N 1 0 395.301 2.115 20 0 GEADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000367957291 532929077 /nfs/dbraw/zinc/92/90/77/532929077.db2.gz NDKCTTDTYYBREF-GVXVVHGQSA-N 1 0 376.309 2.493 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000293636344 532929587 /nfs/dbraw/zinc/92/95/87/532929587.db2.gz JDGRQZRBVIEOMO-AWEZNQCLSA-N 1 0 382.302 2.436 20 0 GEADRO Cc1nn(C)c(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1Br ZINC000368050648 532929792 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C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(COc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736854219 598933212 /nfs/dbraw/zinc/93/32/12/598933212.db2.gz BSARJTXGYPQBDZ-QGZVFWFLSA-N 1 0 392.463 2.270 20 0 GEADRO CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCCO1 ZINC000736533613 598945689 /nfs/dbraw/zinc/94/56/89/598945689.db2.gz AMBYXGAFRMQSCC-CYBMUJFWSA-N 1 0 378.864 2.350 20 0 GEADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000737074527 598959881 /nfs/dbraw/zinc/95/98/81/598959881.db2.gz XICVXFJXTPIDJH-PXAZEXFGSA-N 1 0 396.426 2.471 20 0 GEADRO COc1ccc2c(c1)C[N@@H+](CCOc1ccc(-c3nn[nH]n3)cc1OC)CC2 ZINC000737119730 598985553 /nfs/dbraw/zinc/98/55/53/598985553.db2.gz UNZRANGUZXGKLW-UHFFFAOYSA-N 1 0 381.436 2.321 20 0 GEADRO CCC[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736471846 598989272 /nfs/dbraw/zinc/98/92/72/598989272.db2.gz XHXDESSFYYERHX-BHIYHBOVSA-N 1 0 398.511 2.008 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736768332 599006452 /nfs/dbraw/zinc/00/64/52/599006452.db2.gz DXWHXLQCDXUMKB-UHFFFAOYSA-N 1 0 385.859 2.119 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736756472 599029595 /nfs/dbraw/zinc/02/95/95/599029595.db2.gz JBJITTJMXAIZJU-SFHVURJKSA-N 1 0 392.463 2.222 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736860762 599032915 /nfs/dbraw/zinc/03/29/15/599032915.db2.gz VLKZEKWEQSDEJF-GOSISDBHSA-N 1 0 392.463 2.270 20 0 GEADRO C[NH+](C)Cc1cc(CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000736771187 599033204 /nfs/dbraw/zinc/03/32/04/599033204.db2.gz JNTOBDFMSUNWNG-UHFFFAOYSA-N 1 0 382.443 2.316 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822206086 599047080 /nfs/dbraw/zinc/04/70/80/599047080.db2.gz UGMWQGOXZADJSV-OAHLLOKOSA-N 1 0 386.463 2.427 20 0 GEADRO CC[NH+]1CCN(c2ccc(C(=O)OCc3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000736569845 599056500 /nfs/dbraw/zinc/05/65/00/599056500.db2.gz UTWPEWUFWQELLH-UHFFFAOYSA-N 1 0 392.463 2.366 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000736226974 599078873 /nfs/dbraw/zinc/07/88/73/599078873.db2.gz KBDUUDGDURGZBE-NVXWUHKLSA-N 1 0 386.500 2.357 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)[C@@H]1c1cccs1 ZINC000736856735 599084715 /nfs/dbraw/zinc/08/47/15/599084715.db2.gz MNOPVDHJBMHJKX-BLLLJJGKSA-N 1 0 383.481 2.136 20 0 GEADRO Cc1ccc2c(CC[NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)c[nH]c2c1 ZINC000737371654 599095538 /nfs/dbraw/zinc/09/55/38/599095538.db2.gz HHVKUSJARFZKFS-SFHVURJKSA-N 1 0 375.436 2.015 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000736615826 599104360 /nfs/dbraw/zinc/10/43/60/599104360.db2.gz ONDMVXCAUSXGQX-RHSMWYFYSA-N 1 0 387.488 2.125 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](Cc2ccncc2)CC1 ZINC000737411425 599122784 /nfs/dbraw/zinc/12/27/84/599122784.db2.gz YBSNDAOQWSQVCZ-UHFFFAOYSA-N 1 0 386.463 2.441 20 0 GEADRO CC(C)[C@@H](CO)[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000735708822 599132498 /nfs/dbraw/zinc/13/24/98/599132498.db2.gz IVJZSVKXBGJBQE-LJQANCHMSA-N 1 0 394.479 2.324 20 0 GEADRO O=C(CCC(F)(F)F)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822950112 599135633 /nfs/dbraw/zinc/13/56/33/599135633.db2.gz FCOQWXOLCBUMAK-UHFFFAOYSA-N 1 0 382.390 2.244 20 0 GEADRO O=C(C[N@@H+]1CC[C@@H](Cc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737874360 599136766 /nfs/dbraw/zinc/13/67/66/599136766.db2.gz BKIGNJTWYPBYAE-SFHVURJKSA-N 1 0 376.464 2.048 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=S)NC(C1CC1)C1CC1 ZINC000736767956 599158812 /nfs/dbraw/zinc/15/88/12/599158812.db2.gz VDYVDNNGBGGXDX-UHFFFAOYSA-N 1 0 399.568 2.293 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000820033505 599159095 /nfs/dbraw/zinc/15/90/95/599159095.db2.gz VETGFZZODSFWMV-IHBAFOEMSA-N 1 0 398.511 2.402 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C1 ZINC000821182266 599209897 /nfs/dbraw/zinc/20/98/97/599209897.db2.gz UAWOIRMNVDJSJM-AWEZNQCLSA-N 1 0 383.456 2.115 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000821161552 599212198 /nfs/dbraw/zinc/21/21/98/599212198.db2.gz ZQWOEHLAACGOGO-CRAIPNDOSA-N 1 0 386.500 2.070 20 0 GEADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000822249046 607274662 /nfs/dbraw/zinc/27/46/62/607274662.db2.gz ZOPIPBKWKOJNLB-UHFFFAOYSA-N 1 0 380.456 2.166 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736792767 599250950 /nfs/dbraw/zinc/25/09/50/599250950.db2.gz NXFBDTPAXSPPSQ-MJGOQNOKSA-N 1 0 397.527 2.168 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2C)C1 ZINC000821189661 607280243 /nfs/dbraw/zinc/28/02/43/607280243.db2.gz RGFPDICCAQUEJY-HNNXBMFYSA-N 1 0 387.488 2.140 20 0 GEADRO c1cn(CN2CC[C@@H](C[NH+]3CCCCC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738406468 599252860 /nfs/dbraw/zinc/25/28/60/599252860.db2.gz UPJJJTPYTHUSPB-KRWDZBQOSA-N 1 0 392.511 2.496 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000737247977 599264360 /nfs/dbraw/zinc/26/43/60/599264360.db2.gz CJJSYNXSFCVGQK-HOTGVXAUSA-N 1 0 395.511 2.365 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736236396 599271125 /nfs/dbraw/zinc/27/11/25/599271125.db2.gz JCENJJMDHIITSD-RVKKMQEKSA-N 1 0 383.500 2.142 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000820120590 599285991 /nfs/dbraw/zinc/28/59/91/599285991.db2.gz FONMXTOPFSLQMD-UHFFFAOYSA-N 1 0 397.487 2.067 20 0 GEADRO Cn1nccc1[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000737627629 599290067 /nfs/dbraw/zinc/29/00/67/599290067.db2.gz LCBOFAZZTTUUQN-HNNXBMFYSA-N 1 0 391.439 2.030 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821255208 599291927 /nfs/dbraw/zinc/29/19/27/599291927.db2.gz WIIZORAJNFIXSS-LLVKDONJSA-N 1 0 383.378 2.491 20 0 GEADRO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819854799 607325140 /nfs/dbraw/zinc/32/51/40/607325140.db2.gz CDKQTVMPZYHKQA-HNNXBMFYSA-N 1 0 376.464 2.272 20 0 GEADRO C[C@@H]1CCC[C@@H]([N@H+](C)CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736247495 598232792 /nfs/dbraw/zinc/23/27/92/598232792.db2.gz FEXHQWUJHGIVNR-AUJRIZCKSA-N 1 0 397.483 2.102 20 0 GEADRO Cc1ccc([C@H](CNC(=O)COc2ccccc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737319767 598233952 /nfs/dbraw/zinc/23/39/52/598233952.db2.gz GQURXQUJOZYHGR-INIZCTEOSA-N 1 0 396.451 2.100 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000737546237 598242165 /nfs/dbraw/zinc/24/21/65/598242165.db2.gz BLKKBRVKJJNIRY-UHFFFAOYSA-N 1 0 383.456 2.163 20 0 GEADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000738388903 598253329 /nfs/dbraw/zinc/25/33/29/598253329.db2.gz UHFPWYWGHZHXHH-SJLPKXTDSA-N 1 0 383.427 2.235 20 0 GEADRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736768175 598254264 /nfs/dbraw/zinc/25/42/64/598254264.db2.gz AFVIRVPTNVOMBU-UHFFFAOYSA-N 1 0 395.467 2.171 20 0 GEADRO Cc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737420735 598255485 /nfs/dbraw/zinc/25/54/85/598255485.db2.gz HBOSUMOOINLIIP-MSOLQXFVSA-N 1 0 379.464 2.404 20 0 GEADRO C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@H]1OCCc2ccccc21 ZINC000736793161 598257957 /nfs/dbraw/zinc/25/79/57/598257957.db2.gz SVMXFZKMWYMCEN-LJQANCHMSA-N 1 0 392.463 2.441 20 0 GEADRO COC(=O)COc1c(C)cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1C ZINC000736931747 598314575 /nfs/dbraw/zinc/31/45/75/598314575.db2.gz URVZIYFSBBVXHM-UHFFFAOYSA-N 1 0 399.426 2.464 20 0 GEADRO C[N@H+](CCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)C1CCCCC1 ZINC000736801127 598325913 /nfs/dbraw/zinc/32/59/13/598325913.db2.gz RVGSYIBPNIOBEF-UHFFFAOYSA-N 1 0 375.452 2.070 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736759656 598330129 /nfs/dbraw/zinc/33/01/29/598330129.db2.gz NXUJOSLOKUCUGA-UHFFFAOYSA-N 1 0 384.440 2.109 20 0 GEADRO COc1ccc([C@@H](CNc2nccnc2-c2nn[nH]n2)[NH+]2CCCCC2)cc1 ZINC000737076848 598337632 /nfs/dbraw/zinc/33/76/32/598337632.db2.gz RTFGRAJKBGVWEE-MRXNPFEDSA-N 1 0 380.456 2.304 20 0 GEADRO Cc1ccc(N2CCC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3F)C2)nn1 ZINC000737353406 598341571 /nfs/dbraw/zinc/34/15/71/598341571.db2.gz WFDMXSCTNVPIFA-MRXNPFEDSA-N 1 0 382.447 2.205 20 0 GEADRO C[C@@H]1CN([C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c2cccs2)CCO1 ZINC000736290099 598349211 /nfs/dbraw/zinc/34/92/11/598349211.db2.gz GUZNTZCKNLOVES-RHSMWYFYSA-N 1 0 384.509 2.480 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736532929 598357580 /nfs/dbraw/zinc/35/75/80/598357580.db2.gz FNJXRNIGFDUPGF-AWEZNQCLSA-N 1 0 398.467 2.499 20 0 GEADRO C[C@H]1CN(Cc2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736291002 598364775 /nfs/dbraw/zinc/36/47/75/598364775.db2.gz TVVZPCDKXVLTLZ-MGPUTAFESA-N 1 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CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000735875602 598429069 /nfs/dbraw/zinc/42/90/69/598429069.db2.gz WOCNDUPYNTYQHL-ZWKOTPCHSA-N 1 0 383.500 2.414 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)cc1F ZINC000737073798 598453762 /nfs/dbraw/zinc/45/37/62/598453762.db2.gz TVFYEWYBMQZPOI-SECBINFHSA-N 1 0 376.417 2.365 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000737548654 598467407 /nfs/dbraw/zinc/46/74/07/598467407.db2.gz PXDSCZSWSNVIGK-HNNXBMFYSA-N 1 0 395.467 2.259 20 0 GEADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@@H]1CCCOC1 ZINC000736792764 598469688 /nfs/dbraw/zinc/46/96/88/598469688.db2.gz NTVGBTVSPXORDH-LBPRGKRZSA-N 1 0 390.513 2.104 20 0 GEADRO C[NH+](C)C1(CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCCC1 ZINC000736756022 598476509 /nfs/dbraw/zinc/47/65/09/598476509.db2.gz GOGHKBWQBNLWQI-UHFFFAOYSA-N 1 0 383.500 2.415 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738050621 598478834 /nfs/dbraw/zinc/47/88/34/598478834.db2.gz SRARGVRITFFESG-OAHLLOKOSA-N 1 0 381.484 2.025 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736565933 598486930 /nfs/dbraw/zinc/48/69/30/598486930.db2.gz UWJRUEDTSQQJQJ-CQSZACIVSA-N 1 0 396.451 2.110 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1-c1nn[nH]n1 ZINC000737188522 598497666 /nfs/dbraw/zinc/49/76/66/598497666.db2.gz AKNYUZQSTUSRGD-CYBMUJFWSA-N 1 0 399.524 2.075 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000735889307 598505424 /nfs/dbraw/zinc/50/54/24/598505424.db2.gz YKDZISQBBHWNSX-TZMCWYRMSA-N 1 0 391.907 2.310 20 0 GEADRO CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735913374 598522584 /nfs/dbraw/zinc/52/25/84/598522584.db2.gz NGIKRLBTXBXAJW-ZIAGYGMSSA-N 1 0 382.472 2.243 20 0 GEADRO Fc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(C(F)(F)F)c1 ZINC000737648215 598523752 /nfs/dbraw/zinc/52/37/52/598523752.db2.gz HADZDZPLBBMSOM-VIFPVBQESA-N 1 0 396.352 2.053 20 0 GEADRO Fc1ccc(C2(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)cc1 ZINC000737648625 598523866 /nfs/dbraw/zinc/52/38/66/598523866.db2.gz IERWAXOIONPXSH-CQSZACIVSA-N 1 0 396.474 2.346 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1C(F)(F)F ZINC000736137045 598524479 /nfs/dbraw/zinc/52/44/79/598524479.db2.gz VTEHEDOXGNPDTF-GHMZBOCLSA-N 1 0 392.389 2.475 20 0 GEADRO O=C(CCN1CCC[C@H]1C[NH+]1CCCCC1)Nc1sccc1-c1nn[nH]n1 ZINC000737843146 598525098 /nfs/dbraw/zinc/52/50/98/598525098.db2.gz HYRZAFYUCLCTOI-AWEZNQCLSA-N 1 0 389.529 2.207 20 0 GEADRO COc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737146652 598526002 /nfs/dbraw/zinc/52/60/02/598526002.db2.gz IOYPOLWGMOIGBB-QFBILLFUSA-N 1 0 395.463 2.452 20 0 GEADRO Fc1ccc([C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCC2)cc1 ZINC000737652569 598529861 /nfs/dbraw/zinc/52/98/61/598529861.db2.gz VECBBFUIPGRXGO-SJCJKPOMSA-N 1 0 382.447 2.375 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000735856458 598548078 /nfs/dbraw/zinc/54/80/78/598548078.db2.gz HFSTTWYCTLBKGC-UHFFFAOYSA-N 1 0 398.467 2.499 20 0 GEADRO Fc1cc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc(F)c1F ZINC000737643119 598555527 /nfs/dbraw/zinc/55/55/27/598555527.db2.gz ATPXVJUXEYYEDA-UHFFFAOYSA-N 1 0 389.385 2.438 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000735987912 598556827 /nfs/dbraw/zinc/55/68/27/598556827.db2.gz YHHIVEWAIDQQIT-CYBMUJFWSA-N 1 0 384.440 2.109 20 0 GEADRO CC(C)CN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1)C1CC[NH+](C)CC1 ZINC000735819087 598556881 /nfs/dbraw/zinc/55/68/81/598556881.db2.gz RMEJERXBNOLPST-OAHLLOKOSA-N 1 0 386.500 2.213 20 0 GEADRO CCCNC(=O)CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736484111 598561307 /nfs/dbraw/zinc/56/13/07/598561307.db2.gz URONJIBMAOBYRG-UHFFFAOYSA-N 1 0 394.479 2.452 20 0 GEADRO CN(C)C(=O)CCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736747205 598562263 /nfs/dbraw/zinc/56/22/63/598562263.db2.gz PPEOCXXGLNTHRB-UHFFFAOYSA-N 1 0 394.479 2.404 20 0 GEADRO O[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C(F)(F)F ZINC000738382641 598562415 /nfs/dbraw/zinc/56/24/15/598562415.db2.gz MRZMYQXYYSPJKG-INIZCTEOSA-N 1 0 393.369 2.459 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1-c1nn[nH]n1 ZINC000737190434 598566914 /nfs/dbraw/zinc/56/69/14/598566914.db2.gz ZESUJMGZMXELIZ-LBPRGKRZSA-N 1 0 387.513 2.027 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000736761842 598574220 /nfs/dbraw/zinc/57/42/20/598574220.db2.gz URWGWCQDYPPBRF-SFHVURJKSA-N 1 0 397.527 2.216 20 0 GEADRO CC[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000736542014 598614464 /nfs/dbraw/zinc/61/44/64/598614464.db2.gz NALDGYZQPHBQAT-UHFFFAOYSA-N 1 0 394.479 2.469 20 0 GEADRO CC(C)(C)C[N@H+](CCCO)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735605225 598616404 /nfs/dbraw/zinc/61/64/04/598616404.db2.gz SIQZYZLIPCMUGC-UHFFFAOYSA-N 1 0 380.880 2.189 20 0 GEADRO CC[N@H+]([C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736510930 598621700 /nfs/dbraw/zinc/62/17/00/598621700.db2.gz ABEMIOTWSCQIIN-FZMZJTMJSA-N 1 0 382.390 2.413 20 0 GEADRO CC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736541467 598621767 /nfs/dbraw/zinc/62/17/67/598621767.db2.gz HIYHXECMRUMUFR-IBGZPJMESA-N 1 0 392.463 2.373 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000736401290 598625842 /nfs/dbraw/zinc/62/58/42/598625842.db2.gz HTSNGUWWXVTNDH-OAHLLOKOSA-N 1 0 386.500 2.262 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736226100 598633616 /nfs/dbraw/zinc/63/36/16/598633616.db2.gz VFCMBFDQZMFKCM-UPJWGTAASA-N 1 0 375.452 2.494 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000736757416 598664330 /nfs/dbraw/zinc/66/43/30/598664330.db2.gz AGJYXVSVNFOGKO-KRWDZBQOSA-N 1 0 396.520 2.248 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736224021 598666178 /nfs/dbraw/zinc/66/61/78/598666178.db2.gz LBZPJRVIZKHCIQ-RBSFLKMASA-N 1 0 388.541 2.441 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736760720 598666442 /nfs/dbraw/zinc/66/64/42/598666442.db2.gz BTLILMPYVIQEQH-QGZVFWFLSA-N 1 0 396.520 2.248 20 0 GEADRO CN(C(=O)CCc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736768684 598668179 /nfs/dbraw/zinc/66/81/79/598668179.db2.gz HQDNJGSRTCOYBU-UHFFFAOYSA-N 1 0 394.479 2.403 20 0 GEADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000737943667 598669334 /nfs/dbraw/zinc/66/93/34/598669334.db2.gz UIQQABFQRNATLY-INIZCTEOSA-N 1 0 386.525 2.436 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736760644 598680890 /nfs/dbraw/zinc/68/08/90/598680890.db2.gz BHDNUJGFFAZOMJ-UHFFFAOYSA-N 1 0 395.467 2.372 20 0 GEADRO CC1CC[NH+](CCNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736277459 598682869 /nfs/dbraw/zinc/68/28/69/598682869.db2.gz WQEJXDMNEIMYDJ-UHFFFAOYSA-N 1 0 386.500 2.264 20 0 GEADRO O=C(CC[N@H+]1CCc2ccc(O)cc2CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737848504 598684616 /nfs/dbraw/zinc/68/46/16/598684616.db2.gz ZZZJDBXQSSLSLJ-UHFFFAOYSA-N 1 0 378.436 2.002 20 0 GEADRO C[C@H](CNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C[NH+]1CCCC1 ZINC000736008408 598684830 /nfs/dbraw/zinc/68/48/30/598684830.db2.gz LFLMDYLAPCVORA-MRXNPFEDSA-N 1 0 386.500 2.264 20 0 GEADRO C[C@H](CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)[N@H+](C)C1CC1 ZINC000736026576 598687989 /nfs/dbraw/zinc/68/79/89/598687989.db2.gz VCGDXVOIUMJZGG-CYBMUJFWSA-N 1 0 393.451 2.267 20 0 GEADRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736018912 598704512 /nfs/dbraw/zinc/70/45/12/598704512.db2.gz BLHKVXUFBSEUNS-CYBMUJFWSA-N 1 0 376.461 2.091 20 0 GEADRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736018915 598704521 /nfs/dbraw/zinc/70/45/21/598704521.db2.gz BLHKVXUFBSEUNS-ZDUSSCGKSA-N 1 0 376.461 2.091 20 0 GEADRO OC1(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCOCC1 ZINC000738386005 598729905 /nfs/dbraw/zinc/72/99/05/598729905.db2.gz KSSWDUDYJCFEBG-UHFFFAOYSA-N 1 0 395.463 2.077 20 0 GEADRO CC(C)[NH2+]C1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000735887560 598730290 /nfs/dbraw/zinc/73/02/90/598730290.db2.gz CQQIDJNCJGQOPX-UHFFFAOYSA-N 1 0 395.414 2.462 20 0 GEADRO Cc1ncc(C=CC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)s1 ZINC000737490431 598766229 /nfs/dbraw/zinc/76/62/29/598766229.db2.gz VIGDMDSVKGCGOQ-FPLPWBNLSA-N 1 0 397.508 2.235 20 0 GEADRO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736250869 598766649 /nfs/dbraw/zinc/76/66/49/598766649.db2.gz NLOULJPIFZZDOA-HOTGVXAUSA-N 1 0 398.511 2.499 20 0 GEADRO Cc1cc(NC(=O)CC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC000737271907 598767252 /nfs/dbraw/zinc/76/72/52/598767252.db2.gz RAXCIKRHPNTLJH-UHFFFAOYSA-N 1 0 397.439 2.035 20 0 GEADRO O[C@@H](COc1ccccc1)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738389709 598767723 /nfs/dbraw/zinc/76/77/23/598767723.db2.gz ZCGFHSWYIVEHSU-QGZVFWFLSA-N 1 0 395.463 2.150 20 0 GEADRO C[C@H](Nc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)[C@H](C)[NH+]1CCOCC1 ZINC000736136685 598771798 /nfs/dbraw/zinc/77/17/98/598771798.db2.gz GOFKENBRCLUTBQ-QWRGUYRKSA-N 1 0 389.410 2.214 20 0 GEADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000736145435 598787217 /nfs/dbraw/zinc/78/72/17/598787217.db2.gz BYXKFJWKXQANSL-GFCCVEGCSA-N 1 0 398.433 2.415 20 0 GEADRO C[N@@H+]1CC[C@H](C(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736850126 598814300 /nfs/dbraw/zinc/81/43/00/598814300.db2.gz ZSPRMLDGNUULAX-INIZCTEOSA-N 1 0 378.436 2.336 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCc2ccccc21 ZINC000736767462 598818820 /nfs/dbraw/zinc/81/88/20/598818820.db2.gz QKCMFHPWHGJMAX-FQEVSTJZSA-N 1 0 390.491 2.487 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[nH]n1 ZINC000736321273 598819753 /nfs/dbraw/zinc/81/97/53/598819753.db2.gz AKATYVPISQLSNH-LLVKDONJSA-N 1 0 391.545 2.126 20 0 GEADRO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736978783 598820634 /nfs/dbraw/zinc/82/06/34/598820634.db2.gz RPRWRPXLBJAXNL-NWDGAFQWSA-N 1 0 390.513 2.102 20 0 GEADRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736973973 598820752 /nfs/dbraw/zinc/82/07/52/598820752.db2.gz VUYOPDRHZYDPDL-LBPRGKRZSA-N 1 0 390.513 2.104 20 0 GEADRO CCCn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000821149475 599294701 /nfs/dbraw/zinc/29/47/01/599294701.db2.gz ZDVYLPXCNMUNKV-UHFFFAOYSA-N 1 0 397.487 2.069 20 0 GEADRO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736409781 599300570 /nfs/dbraw/zinc/30/05/70/599300570.db2.gz NFGJONLTKWNCLU-WMLDXEAASA-N 1 0 384.484 2.002 20 0 GEADRO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736409784 599301021 /nfs/dbraw/zinc/30/10/21/599301021.db2.gz NFGJONLTKWNCLU-YOEHRIQHSA-N 1 0 384.484 2.002 20 0 GEADRO C[C@@H]1CC[C@H](CCC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820684087 599311082 /nfs/dbraw/zinc/31/10/82/599311082.db2.gz LWVPQBPBUJWLLM-VQIMIIECSA-N 1 0 398.511 2.249 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821087353 599328640 /nfs/dbraw/zinc/32/86/40/599328640.db2.gz AFLJKIWUJFBWAL-INIZCTEOSA-N 1 0 395.515 2.055 20 0 GEADRO CCN(CC)C(=O)C1([NH2+]CCOc2cccc(-c3nn[nH]n3)c2)CCCCC1 ZINC000736521259 599353808 /nfs/dbraw/zinc/35/38/08/599353808.db2.gz CVANXENTXXGHTN-UHFFFAOYSA-N 1 0 386.500 2.406 20 0 GEADRO CCN(CC)C(=O)C1([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000736525247 599354494 /nfs/dbraw/zinc/35/44/94/599354494.db2.gz ZYNMTKVFNVXVOR-UHFFFAOYSA-N 1 0 386.500 2.406 20 0 GEADRO Cc1cccnc1[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000737435436 599355334 /nfs/dbraw/zinc/35/53/34/599355334.db2.gz NTYSUXXJOYWSEU-SJLPKXTDSA-N 1 0 382.468 2.297 20 0 GEADRO Cc1oc(NC(=O)[C@@H](C)N2CCC(CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737547182 599360027 /nfs/dbraw/zinc/36/00/27/599360027.db2.gz HXODZAOHRGRUTF-CYBMUJFWSA-N 1 0 389.504 2.067 20 0 GEADRO CCC[C@H](C(=O)OCC)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736416181 599362620 /nfs/dbraw/zinc/36/26/20/599362620.db2.gz LOYSQCVQGQQGPE-GOSISDBHSA-N 1 0 386.500 2.106 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820433668 599365475 /nfs/dbraw/zinc/36/54/75/599365475.db2.gz ZXESVYBMKLQMEV-HNNXBMFYSA-N 1 0 392.463 2.190 20 0 GEADRO C[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccc(Cl)cc1 ZINC000820275427 599386117 /nfs/dbraw/zinc/38/61/17/599386117.db2.gz QTEQTSKBGNWXPV-MEDUHNTESA-N 1 0 386.843 2.104 20 0 GEADRO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821868091 599388995 /nfs/dbraw/zinc/38/89/95/599388995.db2.gz OEHCVCVYVFYOEK-KBPBESRZSA-N 1 0 380.452 2.231 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)cc1-c1nn[nH]n1 ZINC000821818488 599407630 /nfs/dbraw/zinc/40/76/30/599407630.db2.gz SQEAANCTVQDYHG-UHFFFAOYSA-N 1 0 390.451 2.363 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H](O)COc2c(C)cccc2C)cc1-c1nn[nH]n1 ZINC000821808443 599414483 /nfs/dbraw/zinc/41/44/83/599414483.db2.gz GTXBNGSHFJHQJW-MRXNPFEDSA-N 1 0 383.452 2.022 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000820649191 599416385 /nfs/dbraw/zinc/41/63/85/599416385.db2.gz JUCIBPODYKTSPZ-OKILXGFUSA-N 1 0 389.479 2.173 20 0 GEADRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821854834 599449802 /nfs/dbraw/zinc/44/98/02/599449802.db2.gz XHABDOGCGBBWRD-MRXNPFEDSA-N 1 0 377.408 2.136 20 0 GEADRO COc1cc(OC)c(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000821723721 599450828 /nfs/dbraw/zinc/45/08/28/599450828.db2.gz IJTWIEWJDSZUQZ-UHFFFAOYSA-N 1 0 385.424 2.061 20 0 GEADRO c1cn(-c2ccccc2)nc1CC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000738425863 599490194 /nfs/dbraw/zinc/49/01/94/599490194.db2.gz OONDLQWVBZJTKP-UHFFFAOYSA-N 1 0 385.435 2.032 20 0 GEADRO C[NH+](C)CC1CCN(c2ccc(Nc3nccnc3-c3nn[nH]n3)cc2)CC1 ZINC000736759436 599530485 /nfs/dbraw/zinc/53/04/85/599530485.db2.gz RCXGJEJNQVCMFH-UHFFFAOYSA-N 1 0 379.472 2.178 20 0 GEADRO CC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC[N@@H+]1CCOC ZINC000820995479 599533554 /nfs/dbraw/zinc/53/35/54/599533554.db2.gz RVCRYHBSPMJNRD-HNNXBMFYSA-N 1 0 399.474 2.409 20 0 GEADRO CCOCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000821378205 599533672 /nfs/dbraw/zinc/53/36/72/599533672.db2.gz LITAXZSGNFUYNY-UHFFFAOYSA-N 1 0 385.447 2.021 20 0 GEADRO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000821378634 599534310 /nfs/dbraw/zinc/53/43/10/599534310.db2.gz QPTNKDCFVDOEQQ-LBPRGKRZSA-N 1 0 384.406 2.433 20 0 GEADRO CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)C[C@@H]1CC ZINC000821378402 599534538 /nfs/dbraw/zinc/53/45/38/599534538.db2.gz NJQMDHFXYJSDNM-HNNXBMFYSA-N 1 0 381.484 2.352 20 0 GEADRO COCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)C[C@H]1C ZINC000821691136 599535236 /nfs/dbraw/zinc/53/52/36/599535236.db2.gz KCTTXQFUNUIKOB-OAHLLOKOSA-N 1 0 381.484 2.189 20 0 GEADRO O[C@@H](C[NH+]1CCC(CNc2cccc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC000823673291 599536133 /nfs/dbraw/zinc/53/61/33/599536133.db2.gz KDQMOYBUJKRTOJ-SFHVURJKSA-N 1 0 379.468 2.119 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735749501 599539515 /nfs/dbraw/zinc/53/95/15/599539515.db2.gz MZJHKIATZAMCJG-AWEZNQCLSA-N 1 0 379.921 2.489 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000736232588 599554747 /nfs/dbraw/zinc/55/47/47/599554747.db2.gz ZPDPPURAIXISSU-CRAIPNDOSA-N 1 0 391.479 2.387 20 0 GEADRO c1cc(CC[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1OCC2 ZINC000823766728 599563285 /nfs/dbraw/zinc/56/32/85/599563285.db2.gz ISUCGUDORLQIMD-UHFFFAOYSA-N 1 0 390.491 2.162 20 0 GEADRO c1cc(-c2nnc(CN3CCC(C[NH+]4CCCC4)CC3)o2)ccc1-c1nn[nH]n1 ZINC000823737094 599565097 /nfs/dbraw/zinc/56/50/97/599565097.db2.gz AOYLHSGYYTXMGV-UHFFFAOYSA-N 1 0 394.483 2.225 20 0 GEADRO CC[C@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736403940 599581005 /nfs/dbraw/zinc/58/10/05/599581005.db2.gz ZQCKOCKIKJTTJB-HNNXBMFYSA-N 1 0 397.483 2.101 20 0 GEADRO CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736403807 599581176 /nfs/dbraw/zinc/58/11/76/599581176.db2.gz XGXWGSGEJLWBON-VLIAUNLRSA-N 1 0 397.483 2.103 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000819939436 599588104 /nfs/dbraw/zinc/58/81/04/599588104.db2.gz BWPYUQNPJOMCLV-AWEZNQCLSA-N 1 0 388.472 2.235 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000735561511 599590314 /nfs/dbraw/zinc/59/03/14/599590314.db2.gz KZTVDDFVRSEYAI-HNNXBMFYSA-N 1 0 383.500 2.144 20 0 GEADRO Cc1ccc(NC(=O)NCc2cccc(-c3nn[nH]n3)c2)c(OCC[NH+](C)C)c1 ZINC000737360452 599611998 /nfs/dbraw/zinc/61/19/98/599611998.db2.gz NQIIPUWVVFITGP-UHFFFAOYSA-N 1 0 395.467 2.437 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000820907127 599642376 /nfs/dbraw/zinc/64/23/76/599642376.db2.gz BUYSBZCGYKMCRB-IBGZPJMESA-N 1 0 392.507 2.422 20 0 GEADRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821181715 599644531 /nfs/dbraw/zinc/64/45/31/599644531.db2.gz PGSNJUGEZPJCIX-JSGCOSHPSA-N 1 0 391.907 2.263 20 0 GEADRO FC(F)(F)C1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000822713979 599647537 /nfs/dbraw/zinc/64/75/37/599647537.db2.gz DPDPZSDZMMGSSM-MOENNCHZSA-N 1 0 384.410 2.063 20 0 GEADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1cccc(-c2nn[nH]n2)c1 ZINC000820339230 599680659 /nfs/dbraw/zinc/68/06/59/599680659.db2.gz AIMPSGIBZMSGIN-HNNXBMFYSA-N 1 0 394.483 2.096 20 0 GEADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)C[C@H]1CCCOC1 ZINC000819876407 599690255 /nfs/dbraw/zinc/69/02/55/599690255.db2.gz GXRSMLQGJCOFCJ-VXGBXAGGSA-N 1 0 390.513 2.102 20 0 GEADRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000820971787 599690894 /nfs/dbraw/zinc/69/08/94/599690894.db2.gz GBRCQXCADOPSHA-KBPBESRZSA-N 1 0 380.456 2.111 20 0 GEADRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821609757 607387228 /nfs/dbraw/zinc/38/72/28/607387228.db2.gz KQOAGPWTEXRYJP-GFCCVEGCSA-N 1 0 392.389 2.256 20 0 GEADRO O=C([O-])c1ccc(CCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000739256956 600066804 /nfs/dbraw/zinc/06/68/04/600066804.db2.gz SKTYDGHDKZDIDP-UHFFFAOYSA-N 1 0 396.491 2.041 20 0 GEADRO CCC[C@](C)([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C(=O)[O-] ZINC000736960193 600151397 /nfs/dbraw/zinc/15/13/97/600151397.db2.gz NCTDOUMVLPJVBU-NRFANRHFSA-N 1 0 375.513 2.262 20 0 GEADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)CC2)cc1 ZINC000738598640 600300101 /nfs/dbraw/zinc/30/01/01/600300101.db2.gz VPDSCRHZBOTENA-HXUWFJFHSA-N 1 0 399.535 2.216 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(F)cc3)c2)C1 ZINC000739151193 600435632 /nfs/dbraw/zinc/43/56/32/600435632.db2.gz AIJBINBWTJSUDI-UYAOXDASSA-N 1 0 399.466 2.439 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](C(=O)[O-])c3ccccc3)c2)C1 ZINC000738435723 600436008 /nfs/dbraw/zinc/43/60/08/600436008.db2.gz FXCTWBUYNYTQQH-PMACEKPBSA-N 1 0 381.476 2.299 20 0 GEADRO C[NH+](C)Cc1cccc(CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000825870614 607453983 /nfs/dbraw/zinc/45/39/83/607453983.db2.gz UXBXVIANYBFBCF-UHFFFAOYSA-N 1 0 391.479 2.417 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](C(=O)[O-])c3ccccc3F)c2)C1 ZINC000833078891 600748003 /nfs/dbraw/zinc/74/80/03/600748003.db2.gz BNMHTSRBBIVYFI-FXAWDEMLSA-N 1 0 399.466 2.439 20 0 GEADRO CCc1nnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821521357 607470497 /nfs/dbraw/zinc/47/04/97/607470497.db2.gz FHMMDHMWPWEXKM-DYVFJYSZSA-N 1 0 382.516 2.235 20 0 GEADRO 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Cc1nc(CN2CCC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)oc1C ZINC000822439635 607064924 /nfs/dbraw/zinc/06/49/24/607064924.db2.gz CNRAUCSFLACGSZ-UHFFFAOYSA-N 1 0 385.447 2.319 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CSCc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625602 607071993 /nfs/dbraw/zinc/07/19/93/607071993.db2.gz RPCRJMIUOQDZPJ-IAGOWNOFSA-N 1 0 386.525 2.043 20 0 GEADRO O[C@@]12CCCC[C@H]1C[N@H+](Cc1nnc(-c3cccc(-c4nn[nH]n4)c3)o1)CC2 ZINC000823698730 607075205 /nfs/dbraw/zinc/07/52/05/607075205.db2.gz QUQZIDBYPMTHAD-HNAYVOBHSA-N 1 0 381.440 2.044 20 0 GEADRO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822997074 607107510 /nfs/dbraw/zinc/10/75/10/607107510.db2.gz MTXIIPODXRBACR-KPZWWZAWSA-N 1 0 390.875 2.086 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000820418444 607149711 /nfs/dbraw/zinc/14/97/11/607149711.db2.gz AXUDEQRIAISUKT-BBRMVZONSA-N 1 0 378.436 2.439 20 0 GEADRO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1cccc(F)c1-c1nn[nH]n1 ZINC000823713327 607175005 /nfs/dbraw/zinc/17/50/05/607175005.db2.gz GPBUNNBEYPRNAX-CRAIPNDOSA-N 1 0 382.443 2.301 20 0 GEADRO COC(=O)CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821660424 607176205 /nfs/dbraw/zinc/17/62/05/607176205.db2.gz QJOBQMBMTIBZIO-IBGZPJMESA-N 1 0 395.463 2.356 20 0 GEADRO C[C@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000820269107 607233528 /nfs/dbraw/zinc/23/35/28/607233528.db2.gz HGWIHWBWUREBLD-GFCCVEGCSA-N 1 0 397.870 2.092 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820804589 607238108 /nfs/dbraw/zinc/23/81/08/607238108.db2.gz VMRXCUIGSRKYJK-HOCLYGCPSA-N 1 0 384.484 2.109 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000826340748 607773931 /nfs/dbraw/zinc/77/39/31/607773931.db2.gz JMEMZTGMRRHKCY-OAHLLOKOSA-N 1 0 397.483 2.409 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCc2ccccc21 ZINC000825865424 607780060 /nfs/dbraw/zinc/78/00/60/607780060.db2.gz DORCZFDUOPLBMV-UHFFFAOYSA-N 1 0 391.479 2.413 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)CCc1nccs1 ZINC000825914772 607802231 /nfs/dbraw/zinc/80/22/31/607802231.db2.gz NOAHZFGAOXPPFV-UHFFFAOYSA-N 1 0 391.888 2.480 20 0 GEADRO Clc1ccc(OCC[NH+]2CCN(c3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826352751 607839148 /nfs/dbraw/zinc/83/91/48/607839148.db2.gz MUKOXIARKRDBML-UHFFFAOYSA-N 1 0 385.859 2.116 20 0 GEADRO CCOCC[N@@H+]1CCN(c2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000825599588 607841079 /nfs/dbraw/zinc/84/10/79/607841079.db2.gz NWMRVJYVWJXUJM-GFCCVEGCSA-N 1 0 384.406 2.433 20 0 GEADRO CC[C@H]1CN(c2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@H](C)O ZINC000825211347 607841266 /nfs/dbraw/zinc/84/12/66/607841266.db2.gz MHNQBKQAMMAYJI-RYUDHWBXSA-N 1 0 384.406 2.167 20 0 GEADRO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)s1 ZINC000826318521 607858265 /nfs/dbraw/zinc/85/82/65/607858265.db2.gz MOSOAHPPUYLTDG-UHFFFAOYSA-N 1 0 377.499 2.196 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc[nH]c(=O)c1Br ZINC000446177962 649972503 /nfs/dbraw/zinc/97/25/03/649972503.db2.gz UEDFQFVXYQPOMD-ZIAGYGMSSA-N 1 0 398.301 2.047 20 0 GEADRO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826406644 607943021 /nfs/dbraw/zinc/94/30/21/607943021.db2.gz GRCHOKXLWJIMNU-ZWKOTPCHSA-N 1 0 396.426 2.142 20 0 GEADRO COCC[C@@H](c1ccccc1)[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826154949 607958437 /nfs/dbraw/zinc/95/84/37/607958437.db2.gz BBHDVXZPSDNDTK-SFHVURJKSA-N 1 0 379.468 2.162 20 0 GEADRO COc1ccc(OC)c(CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000826210773 607977358 /nfs/dbraw/zinc/97/73/58/607977358.db2.gz DLBWWNZVCIEQOZ-UHFFFAOYSA-N 1 0 393.451 2.254 20 0 GEADRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CN1Cc1ccccc1 ZINC000826479299 607978268 /nfs/dbraw/zinc/97/82/68/607978268.db2.gz VYKUCUWJEPAAII-HNNXBMFYSA-N 1 0 380.427 2.144 20 0 GEADRO O=S(=O)(CC[N@@H+]1CCCC12CCCCC2)c1cccc(-c2nn[nH]n2)c1 ZINC000826484416 607992335 /nfs/dbraw/zinc/99/23/35/607992335.db2.gz BXEABCGIFHUQCB-UHFFFAOYSA-N 1 0 375.498 2.439 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000826202883 608015514 /nfs/dbraw/zinc/01/55/14/608015514.db2.gz RCSULIIMKASDRM-GOSISDBHSA-N 1 0 392.463 2.156 20 0 GEADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000825933889 608037198 /nfs/dbraw/zinc/03/71/98/608037198.db2.gz IKBSOZYVYIIXPX-UHFFFAOYSA-N 1 0 397.418 2.031 20 0 GEADRO C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1Br)C[NH+]1CCOCC1 ZINC000824429426 608050025 /nfs/dbraw/zinc/05/00/25/608050025.db2.gz WKPGQUGUUNHBCY-NSHDSACASA-N 1 0 381.278 2.009 20 0 GEADRO C[NH+](C)C1CCN(CCNc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825856190 608050698 /nfs/dbraw/zinc/05/06/98/608050698.db2.gz QTEYZWJCDYJNOD-UHFFFAOYSA-N 1 0 394.321 2.067 20 0 GEADRO O[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(Cl)c(F)c1 ZINC000826503106 608102315 /nfs/dbraw/zinc/10/23/15/608102315.db2.gz QPCBALDIHQODQA-HNNXBMFYSA-N 1 0 387.806 2.130 20 0 GEADRO CCCCNc1ccccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825291348 608113839 /nfs/dbraw/zinc/11/38/39/608113839.db2.gz PTTCEAKWGJFIRP-UHFFFAOYSA-N 1 0 397.487 2.206 20 0 GEADRO Cc1ccc(N2CC[NH+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826290248 608124522 /nfs/dbraw/zinc/12/45/22/608124522.db2.gz GWTWCFNPDVKLQF-UHFFFAOYSA-N 1 0 391.479 2.326 20 0 GEADRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)C2 ZINC000826212710 608134426 /nfs/dbraw/zinc/13/44/26/608134426.db2.gz ZCAAXWNQXDZQCH-MRXNPFEDSA-N 1 0 375.436 2.170 20 0 GEADRO O=C(N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C12CCC(CC1)C2 ZINC000826425719 608145256 /nfs/dbraw/zinc/14/52/56/608145256.db2.gz PYGRFYPTGXYRFX-UHFFFAOYSA-N 1 0 380.496 2.481 20 0 GEADRO c1cc2nc(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)ccc2cc1-c1nn[nH]n1 ZINC000826518415 608233973 /nfs/dbraw/zinc/23/39/73/608233973.db2.gz MWLACLJYUZNDNP-ROUUACIJSA-N 1 0 379.468 2.470 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000824739150 608248303 /nfs/dbraw/zinc/24/83/03/608248303.db2.gz VSCBNFWPXVXIFV-ZBFHGGJFSA-N 1 0 397.435 2.435 20 0 GEADRO COc1ccc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)cc1-c1nn[nH]n1 ZINC000826195397 608256299 /nfs/dbraw/zinc/25/62/99/608256299.db2.gz RSQQIAUVCDEUHH-UHFFFAOYSA-N 1 0 384.484 2.242 20 0 GEADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nc(C)ccc3-c3nn[nH]n3)CC2)c1 ZINC000826214467 608283273 /nfs/dbraw/zinc/28/32/73/608283273.db2.gz MQEWIYCWHUCHRH-OAHLLOKOSA-N 1 0 379.468 2.462 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1 ZINC000825595235 608284454 /nfs/dbraw/zinc/28/44/54/608284454.db2.gz WEGFIZKKHYSSCD-KDOFPFPSSA-N 1 0 376.480 2.232 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000824604706 608285103 /nfs/dbraw/zinc/28/51/03/608285103.db2.gz DCGOJVDVOCNQIL-QRWLVFNGSA-N 1 0 396.470 2.385 20 0 GEADRO COc1ccc(C[NH2+][C@@H](C)CC(=O)NCCc2ccccc2)cc1-c1nn[nH]n1 ZINC000826202134 608286926 /nfs/dbraw/zinc/28/69/26/608286926.db2.gz PGGOVTMXTQZRCQ-HNNXBMFYSA-N 1 0 394.479 2.102 20 0 GEADRO C[NH+](C)CCNC(=S)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000825870495 608290039 /nfs/dbraw/zinc/29/00/39/608290039.db2.gz OUIXXPRKZNHMGO-UHFFFAOYSA-N 1 0 381.509 2.059 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C[C@H]1C ZINC000825444272 608314969 /nfs/dbraw/zinc/31/49/69/608314969.db2.gz LDSALYWDWGUANI-VKJFTORMSA-N 1 0 386.500 2.211 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000825860796 608315189 /nfs/dbraw/zinc/31/51/89/608315189.db2.gz XCXODTLVVPJVJJ-UHFFFAOYSA-N 1 0 378.427 2.339 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1-c1nn[nH]n1 ZINC000826331910 608316319 /nfs/dbraw/zinc/31/63/19/608316319.db2.gz CMIJTPJSIQQOMW-OAHLLOKOSA-N 1 0 389.467 2.464 20 0 GEADRO CC1(C)c2ccccc2CC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000824818730 608331264 /nfs/dbraw/zinc/33/12/64/608331264.db2.gz VONHRSOLZFQYKC-UHFFFAOYSA-N 1 0 376.464 2.276 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000826168311 608354961 /nfs/dbraw/zinc/35/49/61/608354961.db2.gz JIAWNVHRANLVGT-QZTJIDSGSA-N 1 0 376.464 2.444 20 0 GEADRO c1cc(OCC[NH+]2CCCC2)ccc1CCNc1ccc(-c2nn[nH]n2)nc1 ZINC000826517700 608416184 /nfs/dbraw/zinc/41/61/84/608416184.db2.gz LZFHELJWIGVUQT-UHFFFAOYSA-N 1 0 379.468 2.391 20 0 GEADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826190202 608429483 /nfs/dbraw/zinc/42/94/83/608429483.db2.gz TVAZMDCSHOXKFC-CQSZACIVSA-N 1 0 380.452 2.151 20 0 GEADRO c1cc(-c2nnn[n-]2)oc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000826518020 608430017 /nfs/dbraw/zinc/43/00/17/608430017.db2.gz YQFYWBLGFHKSOP-UHFFFAOYSA-N 1 0 382.468 2.267 20 0 GEADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCO2 ZINC000824586566 608430097 /nfs/dbraw/zinc/43/00/97/608430097.db2.gz ZYPYAKKJYQCAOR-LBPRGKRZSA-N 1 0 380.408 2.275 20 0 GEADRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c(-c2nn[nH]n2)c1C ZINC000826341340 608431277 /nfs/dbraw/zinc/43/12/77/608431277.db2.gz FCDNPKUZOFHOJK-SNVBAGLBSA-N 1 0 384.396 2.095 20 0 GEADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)CC[C@H]32)cc1 ZINC000826521381 608433923 /nfs/dbraw/zinc/43/39/23/608433923.db2.gz KDDHNZACEFTSEL-FUHWJXTLSA-N 1 0 376.468 2.148 20 0 GEADRO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825653834 608438448 /nfs/dbraw/zinc/43/84/48/608438448.db2.gz KQTRAEXQZXMABF-ZBFHGGJFSA-N 1 0 383.452 2.356 20 0 GEADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1n1ccnc1 ZINC000824957829 608453389 /nfs/dbraw/zinc/45/33/89/608453389.db2.gz ZQEVVXDIOQIORY-TZMCWYRMSA-N 1 0 386.485 2.036 20 0 GEADRO O[C@H](COCc1ccco1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826504233 608461047 /nfs/dbraw/zinc/46/10/47/608461047.db2.gz QILJOLUEYWIBGQ-SFHVURJKSA-N 1 0 381.436 2.127 20 0 GEADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000824280089 608463728 /nfs/dbraw/zinc/46/37/28/608463728.db2.gz CLNFARWHBSLRLH-LLVKDONJSA-N 1 0 386.485 2.206 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824586522 608464917 /nfs/dbraw/zinc/46/49/17/608464917.db2.gz ZISMQHUWHWGDDO-UZLBHIALSA-N 1 0 378.480 2.418 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C(C)(C)c1ccccc1 ZINC000824563446 608477105 /nfs/dbraw/zinc/47/71/05/608477105.db2.gz ONKWVVFFZYHIAD-OAHLLOKOSA-N 1 0 378.480 2.439 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1cccc2nsnc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824563346 608489753 /nfs/dbraw/zinc/48/97/53/608489753.db2.gz NBYSCBRETBVZDK-JTQLQIEISA-N 1 0 380.437 2.161 20 0 GEADRO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825565566 608491324 /nfs/dbraw/zinc/49/13/24/608491324.db2.gz VRMVKXRDLGBAPE-ZDUSSCGKSA-N 1 0 394.435 2.333 20 0 GEADRO COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826220414 608491592 /nfs/dbraw/zinc/49/15/92/608491592.db2.gz MXKCANVRGCWFDY-KSSFIOAISA-N 1 0 383.452 2.104 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825459390 608491625 /nfs/dbraw/zinc/49/16/25/608491625.db2.gz JUCAPEVDMGFGGI-SFHVURJKSA-N 1 0 381.484 2.150 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000826453016 608494586 /nfs/dbraw/zinc/49/45/86/608494586.db2.gz SCESLHZIWJVHSK-GFCCVEGCSA-N 1 0 375.864 2.470 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000826453017 608494641 /nfs/dbraw/zinc/49/46/41/608494641.db2.gz SCESLHZIWJVHSK-LBPRGKRZSA-N 1 0 375.864 2.470 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)COc1cccc(F)c1 ZINC000826503481 608504629 /nfs/dbraw/zinc/50/46/29/608504629.db2.gz YRVFREQDJQHARS-LPHOPBHVSA-N 1 0 383.427 2.413 20 0 GEADRO COc1cccc(C(=O)NCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826214362 608505747 /nfs/dbraw/zinc/50/57/47/608505747.db2.gz JHMRAKHCFLWLKX-LJQANCHMSA-N 1 0 392.463 2.272 20 0 GEADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826457758 608507708 /nfs/dbraw/zinc/50/77/08/608507708.db2.gz OQBAREVWQMRKQH-UHFFFAOYSA-N 1 0 384.465 2.485 20 0 GEADRO COCCOc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826162420 608514485 /nfs/dbraw/zinc/51/44/85/608514485.db2.gz BFVXPCVRGSGAEG-UHFFFAOYSA-N 1 0 394.479 2.214 20 0 GEADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826507043 608525614 /nfs/dbraw/zinc/52/56/14/608525614.db2.gz HWSCVZBYPXOHNE-IHPCNDPISA-N 1 0 379.464 2.318 20 0 GEADRO COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826179768 608526230 /nfs/dbraw/zinc/52/62/30/608526230.db2.gz DCZXBKQBONUNHB-BDJLRTHQSA-N 1 0 387.415 2.407 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000826412701 608533191 /nfs/dbraw/zinc/53/31/91/608533191.db2.gz ZSBZSIZYQVEFHF-CQSZACIVSA-N 1 0 394.401 2.246 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCc2sccc2C1 ZINC000826412174 608534274 /nfs/dbraw/zinc/53/42/74/608534274.db2.gz FCTQQQLGUNTJRG-UHFFFAOYSA-N 1 0 380.477 2.092 20 0 GEADRO COc1cccc(C2([NH2+]CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826215220 608550948 /nfs/dbraw/zinc/55/09/48/608550948.db2.gz JNUSGBABPARECA-UHFFFAOYSA-N 1 0 378.436 2.483 20 0 GEADRO Cc1oc(NC(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c(-c2nn[nH]n2)c1C ZINC000826341905 608553996 /nfs/dbraw/zinc/55/39/96/608553996.db2.gz SQIYQLIWFJFGHF-OAHLLOKOSA-N 1 0 386.460 2.126 20 0 GEADRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)C(C)(C)C)cn1 ZINC000826359877 608554615 /nfs/dbraw/zinc/55/46/15/608554615.db2.gz RWNIURXVGRACIH-AWEZNQCLSA-N 1 0 388.501 2.367 20 0 GEADRO O=C(CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407703 608555743 /nfs/dbraw/zinc/55/57/43/608555743.db2.gz XGNQJGJUTVWGCY-UHFFFAOYSA-N 1 0 392.419 2.203 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1F ZINC000824572861 608558951 /nfs/dbraw/zinc/55/89/51/608558951.db2.gz XODFRHCWMURWIK-YPMHNXCESA-N 1 0 375.379 2.235 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000824598320 608559503 /nfs/dbraw/zinc/55/95/03/608559503.db2.gz DQOUKLFVEMNDNU-CQSZACIVSA-N 1 0 376.424 2.177 20 0 GEADRO COC1(C)CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826143551 608560265 /nfs/dbraw/zinc/56/02/65/608560265.db2.gz FRMCYSJTVRWMOY-UHFFFAOYSA-N 1 0 378.864 2.350 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccc([S@@](C)=O)cc1 ZINC000824529794 608579159 /nfs/dbraw/zinc/57/91/59/608579159.db2.gz HKWKNZAUBTVEFY-UFEGIJMPSA-N 1 0 398.492 2.282 20 0 GEADRO COc1ccc([C@@H](C)C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826187809 608581157 /nfs/dbraw/zinc/58/11/57/608581157.db2.gz FXSWOBDTEYKANI-HNNXBMFYSA-N 1 0 379.468 2.196 20 0 GEADRO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000826179480 608587380 /nfs/dbraw/zinc/58/73/80/608587380.db2.gz PTNRICNHIVCXLE-KDOFPFPSSA-N 1 0 395.463 2.267 20 0 GEADRO CCC[N@H+](CC(=O)NC)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825308270 608619934 /nfs/dbraw/zinc/61/99/34/608619934.db2.gz YVAVDWUPMLCSRQ-UHFFFAOYSA-N 1 0 394.479 2.404 20 0 GEADRO CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1-c1nn[nH]n1 ZINC000826231762 608637674 /nfs/dbraw/zinc/63/76/74/608637674.db2.gz YOMNNHWUECANEE-GHMZBOCLSA-N 1 0 387.513 2.026 20 0 GEADRO O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1)c1ccsc1 ZINC000826431852 608648892 /nfs/dbraw/zinc/64/88/92/608648892.db2.gz LXSSFFQUDVDRET-UHFFFAOYSA-N 1 0 386.456 2.462 20 0 GEADRO Cc1n[nH]c(C)c1C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826321687 608660039 /nfs/dbraw/zinc/66/00/39/608660039.db2.gz MRBNSYZWWXXGHH-UHFFFAOYSA-N 1 0 380.456 2.057 20 0 GEADRO OCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1CCCc2ccccc21 ZINC000826509901 608703039 /nfs/dbraw/zinc/70/30/39/608703039.db2.gz PEQCQEKVQQFGPU-LJQANCHMSA-N 1 0 389.463 2.386 20 0 GEADRO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cnccc1-c1nn[nH]n1 ZINC000825909506 608781196 /nfs/dbraw/zinc/78/11/96/608781196.db2.gz ZKSAWYWENXYQBX-HXUWFJFHSA-N 1 0 393.495 2.144 20 0 GEADRO Cc1oc2ccccc2c1C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000826342675 608840625 /nfs/dbraw/zinc/84/06/25/608840625.db2.gz VNWRJHMZRXLWOW-ZDUSSCGKSA-N 1 0 390.451 2.422 20 0 GEADRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824098850 608842331 /nfs/dbraw/zinc/84/23/31/608842331.db2.gz BIRIEXYNEQFOBY-AWEZNQCLSA-N 1 0 397.483 2.458 20 0 GEADRO C[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC12CCC2 ZINC000824953282 608872804 /nfs/dbraw/zinc/87/28/04/608872804.db2.gz DEVXVXWSBRGFMR-BBRMVZONSA-N 1 0 380.452 2.011 20 0 GEADRO O=C(c1n[nH]c2ccc(I)cc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446365885 649979161 /nfs/dbraw/zinc/97/91/61/649979161.db2.gz CYMSPRLTBSJKJY-PHIMTYICSA-N 1 0 396.232 2.134 20 0 GEADRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824906757 609148717 /nfs/dbraw/zinc/14/87/17/609148717.db2.gz DQRZKFQWCOXGQL-MRVWCRGKSA-N 1 0 385.390 2.269 20 0 GEADRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824906758 609148747 /nfs/dbraw/zinc/14/87/47/609148747.db2.gz DQRZKFQWCOXGQL-XBFCOCLRSA-N 1 0 385.390 2.269 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(CO)c1 ZINC000824547464 609168844 /nfs/dbraw/zinc/16/88/44/609168844.db2.gz OPASWIOQLKMUEL-AUUYWEPGSA-N 1 0 392.463 2.205 20 0 GEADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826329552 609169676 /nfs/dbraw/zinc/16/96/76/609169676.db2.gz IBAJPJLMAGVXNU-XHDPSFHLSA-N 1 0 383.481 2.478 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000824937806 609196118 /nfs/dbraw/zinc/19/61/18/609196118.db2.gz RMYFMYFTLYRTTG-CQSZACIVSA-N 1 0 379.468 2.499 20 0 GEADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)C1 ZINC000824947528 609196558 /nfs/dbraw/zinc/19/65/58/609196558.db2.gz OIMURVVDWZRIEU-CQSZACIVSA-N 1 0 379.468 2.357 20 0 GEADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000826469058 609221463 /nfs/dbraw/zinc/22/14/63/609221463.db2.gz SNDPPABGPHAOMB-NRFANRHFSA-N 1 0 391.479 2.323 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000446411222 649979944 /nfs/dbraw/zinc/97/99/44/649979944.db2.gz GAYJWYSQIFOFFF-OCCSQVGLSA-N 1 0 383.290 2.347 20 0 GEADRO C[C@@H](NC(=O)COc1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824480132 609285123 /nfs/dbraw/zinc/28/51/23/609285123.db2.gz UGMKAWNURMMHPB-CABCVRRESA-N 1 0 384.484 2.015 20 0 GEADRO O=C(c1ccc(O)cc1F)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826473027 609287832 /nfs/dbraw/zinc/28/78/32/609287832.db2.gz HPLYSNRYXZEQLH-UHFFFAOYSA-N 1 0 396.426 2.060 20 0 GEADRO Cc1ccc(C=CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826286207 609298784 /nfs/dbraw/zinc/29/87/84/609298784.db2.gz VRISBZXTYAZLNS-FLIBITNWSA-N 1 0 391.479 2.174 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC000824296520 609312114 /nfs/dbraw/zinc/31/21/14/609312114.db2.gz ILIWQXGDSCTKDS-UHFFFAOYSA-N 1 0 398.446 2.250 20 0 GEADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000825317754 609316239 /nfs/dbraw/zinc/31/62/39/609316239.db2.gz ACBLLMVVEVNVBJ-HNNXBMFYSA-N 1 0 383.500 2.439 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H](F)Cc1ccccc1 ZINC000825866043 609320097 /nfs/dbraw/zinc/32/00/97/609320097.db2.gz PXDQJBJXQUZFTO-IBGZPJMESA-N 1 0 396.470 2.338 20 0 GEADRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617899 609327477 /nfs/dbraw/zinc/32/74/77/609327477.db2.gz LFBMWNYQWDLLCO-ZDUSSCGKSA-N 1 0 398.442 2.324 20 0 GEADRO Cc1noc(C)c1CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826338604 609338476 /nfs/dbraw/zinc/33/84/76/609338476.db2.gz BCDPSQQRRKPKAA-UHFFFAOYSA-N 1 0 378.440 2.204 20 0 GEADRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000826187156 609341382 /nfs/dbraw/zinc/34/13/82/609341382.db2.gz CIBYIIKXYJRQHN-LBPRGKRZSA-N 1 0 384.415 2.095 20 0 GEADRO C[C@H](NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)C1=CC[N@H+](C)CC1 ZINC000824505653 609352222 /nfs/dbraw/zinc/35/22/22/609352222.db2.gz GLOVOXFLTZQMOF-JTQLQIEISA-N 1 0 393.398 2.240 20 0 GEADRO COCCOC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826160185 609362286 /nfs/dbraw/zinc/36/22/86/609362286.db2.gz IFERUJYHBKEADQ-UHFFFAOYSA-N 1 0 396.289 2.257 20 0 GEADRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825044941 609366244 /nfs/dbraw/zinc/36/62/44/609366244.db2.gz WGEAGTPUKVGWJU-HNNXBMFYSA-N 1 0 382.262 2.451 20 0 GEADRO COC(=O)C1=C(C)O[C@H](C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826129249 609367469 /nfs/dbraw/zinc/36/74/69/609367469.db2.gz NBHPEYNPWJXZTD-KRWDZBQOSA-N 1 0 381.436 2.192 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCCC[C@H]1O ZINC000825914521 609379193 /nfs/dbraw/zinc/37/91/93/609379193.db2.gz IKCSJXZRNVRPSI-MLGOLLRUSA-N 1 0 392.891 2.332 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1-c1nn[nH]n1 ZINC000826332231 609379704 /nfs/dbraw/zinc/37/97/04/609379704.db2.gz NSUJXVFOQCZZRG-CRAIPNDOSA-N 1 0 381.484 2.344 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826033769 609384110 /nfs/dbraw/zinc/38/41/10/609384110.db2.gz JWVBKXJTQVZEDD-AWEZNQCLSA-N 1 0 378.436 2.483 20 0 GEADRO COc1ccc(C)cc1C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826190132 609412733 /nfs/dbraw/zinc/41/27/33/609412733.db2.gz QKXMZHNZDHQGLJ-SFHVURJKSA-N 1 0 392.463 2.469 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(C)C ZINC000825583285 609416924 /nfs/dbraw/zinc/41/69/24/609416924.db2.gz SUCPQVBVXDMZCM-YESZJQIVSA-N 1 0 384.484 2.155 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)c1 ZINC000826202637 609416929 /nfs/dbraw/zinc/41/69/29/609416929.db2.gz GWEXTAJOKFFDDZ-IBGZPJMESA-N 1 0 392.463 2.469 20 0 GEADRO OC[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1F ZINC000826507529 609425396 /nfs/dbraw/zinc/42/53/96/609425396.db2.gz QEGSRHFITXKQOV-INIZCTEOSA-N 1 0 375.379 2.237 20 0 GEADRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826306447 609428172 /nfs/dbraw/zinc/42/81/72/609428172.db2.gz ZCWCRSXSLRZOMY-MRXNPFEDSA-N 1 0 386.843 2.090 20 0 GEADRO Cc1ccnc(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826312899 609534997 /nfs/dbraw/zinc/53/49/97/609534997.db2.gz RAWSURKPQZYUSW-MRXNPFEDSA-N 1 0 378.484 2.193 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824935436 609536464 /nfs/dbraw/zinc/53/64/64/609536464.db2.gz BCUHELYEYDUANQ-GFCCVEGCSA-N 1 0 398.920 2.063 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000824936035 609538475 /nfs/dbraw/zinc/53/84/75/609538475.db2.gz DNUAZWGBQLNLPX-RYUDHWBXSA-N 1 0 398.920 2.061 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824927066 609545150 /nfs/dbraw/zinc/54/51/50/609545150.db2.gz LVWZKAMYPJISGI-RYUDHWBXSA-N 1 0 398.920 2.061 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825193996 609547262 /nfs/dbraw/zinc/54/72/62/609547262.db2.gz OJCLZBKRTYXYKO-ZDUSSCGKSA-N 1 0 398.920 2.063 20 0 GEADRO Cc1c(Cl)cnc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1-c1nn[nH]n1 ZINC000826240102 609586452 /nfs/dbraw/zinc/58/64/52/609586452.db2.gz BUDTXBUCZCULOT-OAHLLOKOSA-N 1 0 399.886 2.402 20 0 GEADRO C[NH+]1CCC(C(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000446607173 649984722 /nfs/dbraw/zinc/98/47/22/649984722.db2.gz VBJJJQMFRRPAIY-UHFFFAOYSA-N 1 0 378.416 2.067 20 0 GEADRO C[C@@H](C[NH3+])CNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000447252050 650003634 /nfs/dbraw/zinc/00/36/34/650003634.db2.gz WWOLSQRLDLPVMH-ZETCQYMHSA-N 1 0 375.210 2.341 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)C[C@H]21 ZINC000447253559 650004127 /nfs/dbraw/zinc/00/41/27/650004127.db2.gz ZHOOBXHWJLGLEM-IRUJWGPZSA-N 1 0 377.279 2.336 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1Cl ZINC000447252783 650004132 /nfs/dbraw/zinc/00/41/32/650004132.db2.gz TVCITLZZOSEEOV-XCBNKYQSSA-N 1 0 383.695 2.079 20 0 GEADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000447252244 650004142 /nfs/dbraw/zinc/00/41/42/650004142.db2.gz YAAYQLGGWUUVBK-ZETCQYMHSA-N 1 0 375.210 2.484 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)C[C@H]21 ZINC000447256661 650004286 /nfs/dbraw/zinc/00/42/86/650004286.db2.gz OJPQVPNEMCBNBL-DRCTWCGVSA-N 1 0 377.279 2.336 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000447261432 650004287 /nfs/dbraw/zinc/00/42/87/650004287.db2.gz XMGVCGCLAQDWDL-VIFPVBQESA-N 1 0 376.682 2.497 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)C[C@@H]21 ZINC000447256665 650004301 /nfs/dbraw/zinc/00/43/01/650004301.db2.gz OJPQVPNEMCBNBL-OLUVUFQESA-N 1 0 377.279 2.336 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000447608331 650007551 /nfs/dbraw/zinc/00/75/51/650007551.db2.gz VCYIOSWRISDGQJ-UHOFOFEASA-N 1 0 379.444 2.200 20 0 GEADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)Nc1ccc(Br)cc1Cl ZINC000447916622 650010711 /nfs/dbraw/zinc/01/07/11/650010711.db2.gz PIOLIACPYCJKJK-QWHCGFSZSA-N 1 0 377.666 2.171 20 0 GEADRO COCC[C@@]1([NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)CCOC1 ZINC000447398632 650006340 /nfs/dbraw/zinc/00/63/40/650006340.db2.gz SZVZAQXRQZMSOL-OAHLLOKOSA-N 1 0 393.228 2.451 20 0 GEADRO CO[C@@H](C[NH3+])CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000447443343 650006866 /nfs/dbraw/zinc/00/68/66/650006866.db2.gz SPJAWIQOJLSSKX-BXKDBHETSA-N 1 0 383.246 2.040 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)NCC(C)(C)c2ccccc2Br)CC1 ZINC000448468945 650016145 /nfs/dbraw/zinc/01/61/45/650016145.db2.gz XDRGAEAPIFYZDA-UHFFFAOYSA-N 1 0 398.345 2.483 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1-n1cc(Br)cn1 ZINC000448723087 650019950 /nfs/dbraw/zinc/01/99/50/650019950.db2.gz GIEUPEXBHBOQQW-ZIAGYGMSSA-N 1 0 390.285 2.386 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000448933876 650026007 /nfs/dbraw/zinc/02/60/07/650026007.db2.gz SIKZCNSLBGRIJU-AWEZNQCLSA-N 1 0 393.285 2.085 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2cc(Br)ccc2C)CC1 ZINC000448973560 650027806 /nfs/dbraw/zinc/02/78/06/650027806.db2.gz CMFSFOCCDUMHGN-HNNXBMFYSA-N 1 0 382.346 2.442 20 0 GEADRO C[C@@H](CNC(=O)c1cc2c(ccc(F)c2Br)[nH]1)N1CC[NH+](C)CC1 ZINC000448979769 650028144 /nfs/dbraw/zinc/02/81/44/650028144.db2.gz KZBKHHVYYFCSSY-NSHDSACASA-N 1 0 397.292 2.435 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000449064344 650031130 /nfs/dbraw/zinc/03/11/30/650031130.db2.gz PQBBRGOPTBLUMQ-QGZVFWFLSA-N 1 0 380.535 2.315 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000449098704 650031567 /nfs/dbraw/zinc/03/15/67/650031567.db2.gz QRBYBSYGVDTZTR-ZIAGYGMSSA-N 1 0 385.302 2.443 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@](C)(O)C1CC1 ZINC000449149075 650032972 /nfs/dbraw/zinc/03/29/72/650032972.db2.gz VYZDRODDKWEZHO-DIFFPNOSSA-N 1 0 385.302 2.213 20 0 GEADRO C[C@H](C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(F)cc(F)c1 ZINC000449154734 650033301 /nfs/dbraw/zinc/03/33/01/650033301.db2.gz JJTVARLWDPTBKW-CXAGYDPISA-N 1 0 376.469 2.146 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000449234571 650035042 /nfs/dbraw/zinc/03/50/42/650035042.db2.gz QPNAVRSACODNKG-GVAFMPQTSA-N 1 0 397.313 2.165 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccn(C)n1 ZINC000449243700 650035575 /nfs/dbraw/zinc/03/55/75/650035575.db2.gz MMZHDLVLTKRPBG-GFCCVEGCSA-N 1 0 395.301 2.028 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2cccc(Br)c2F)cn1 ZINC000449242737 650035829 /nfs/dbraw/zinc/03/58/29/650035829.db2.gz YXJHILFTSQWENP-UHFFFAOYSA-N 1 0 398.280 2.075 20 0 GEADRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(I)cc1 ZINC000449329435 650038774 /nfs/dbraw/zinc/03/87/74/650038774.db2.gz OFSRGDKXUWNTTN-LBPRGKRZSA-N 1 0 378.279 2.249 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449290846 650037729 /nfs/dbraw/zinc/03/77/29/650037729.db2.gz ZHAITFVHALWHHU-LBPRGKRZSA-N 1 0 382.258 2.303 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)CC(=O)N(C)C ZINC000449681665 650045267 /nfs/dbraw/zinc/04/52/67/650045267.db2.gz MJBKQUQPHTYVFK-CHWSQXEVSA-N 1 0 387.318 2.065 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449682134 650045293 /nfs/dbraw/zinc/04/52/93/650045293.db2.gz KZKQSEUERUOPTC-AAEUAGOBSA-N 1 0 396.322 2.152 20 0 GEADRO COCCN1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000449683878 650045298 /nfs/dbraw/zinc/04/52/98/650045298.db2.gz OGETZNHNXCZGRY-HUUCEWRRSA-N 1 0 389.309 2.050 20 0 GEADRO COc1cc(Br)c(CNC[C@H]2CCC[N@@H+]2CCCO)c(OC)c1 ZINC000449384779 650039422 /nfs/dbraw/zinc/03/94/22/650039422.db2.gz CMSLCRNIWYISFZ-CYBMUJFWSA-N 1 0 387.318 2.403 20 0 GEADRO O=c1ccc(Br)cn1CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000449377564 650039490 /nfs/dbraw/zinc/03/94/90/650039490.db2.gz PCDMPFGVBQRUNH-UHFFFAOYSA-N 1 0 383.315 2.326 20 0 GEADRO COc1cc(C[NH2+]CCn2cc(Br)ccc2=O)cc(OC)c1OC ZINC000449380301 650039567 /nfs/dbraw/zinc/03/95/67/650039567.db2.gz WACJUBVBIUZBLJ-UHFFFAOYSA-N 1 0 397.269 2.426 20 0 GEADRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H](O)C(F)F ZINC000449420154 650040218 /nfs/dbraw/zinc/04/02/18/650040218.db2.gz DRXUZJFPFCKIKV-HOTGVXAUSA-N 1 0 376.469 2.142 20 0 GEADRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H](O)C(F)F ZINC000449420151 650040328 /nfs/dbraw/zinc/04/03/28/650040328.db2.gz DRXUZJFPFCKIKV-CVEARBPZSA-N 1 0 376.469 2.142 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000449439841 650040720 /nfs/dbraw/zinc/04/07/20/650040720.db2.gz AKPLKXXISKETBA-LBPRGKRZSA-N 1 0 384.420 2.054 20 0 GEADRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000449448664 650041222 /nfs/dbraw/zinc/04/12/22/650041222.db2.gz ACCPJBMZZNYEIQ-MRXNPFEDSA-N 1 0 386.242 2.189 20 0 GEADRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000449448663 650041274 /nfs/dbraw/zinc/04/12/74/650041274.db2.gz ACCPJBMZZNYEIQ-INIZCTEOSA-N 1 0 386.242 2.189 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000449677193 650044837 /nfs/dbraw/zinc/04/48/37/650044837.db2.gz ACUGBSGAHSLQFG-WBMJQRKESA-N 1 0 399.329 2.256 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449700368 650046438 /nfs/dbraw/zinc/04/64/38/650046438.db2.gz RCEWOLMSMDWMNP-BXUZGUMPSA-N 1 0 382.302 2.072 20 0 GEADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000449706391 650046659 /nfs/dbraw/zinc/04/66/59/650046659.db2.gz AUBYZICUSKQFAT-RDJZCZTQSA-N 1 0 399.329 2.139 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2=O)ccc1Br ZINC000449715249 650047557 /nfs/dbraw/zinc/04/75/57/650047557.db2.gz IQCHHKAVEPERIG-BFHYXJOUSA-N 1 0 394.313 2.354 20 0 GEADRO C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449717218 650047563 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O=C1CC[C@@H](C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)CCN1 ZINC000450500689 650066311 /nfs/dbraw/zinc/06/63/11/650066311.db2.gz LJNQAVZZXRGQIP-MRXNPFEDSA-N 1 0 380.330 2.483 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)[C@H](C)CO ZINC000450734885 650070092 /nfs/dbraw/zinc/07/00/92/650070092.db2.gz XLTZLANJGPHIGY-GHMZBOCLSA-N 1 0 376.238 2.145 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(c3ncnc4ccc(I)cc43)C[C@@H]21 ZINC000450780249 650070218 /nfs/dbraw/zinc/07/02/18/650070218.db2.gz PWPLMUNLNRNIFE-YGRLFVJLSA-N 1 0 380.233 2.375 20 0 GEADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)c1cc(C)cs1 ZINC000451109666 650087682 /nfs/dbraw/zinc/08/76/82/650087682.db2.gz BRFGIGLEFOCSQC-OAHLLOKOSA-N 1 0 388.555 2.485 20 0 GEADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000451116898 650088555 /nfs/dbraw/zinc/08/85/55/650088555.db2.gz SOYHWIBTTBIDEN-NSHDSACASA-N 1 0 377.279 2.244 20 0 GEADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000451199832 650095984 /nfs/dbraw/zinc/09/59/84/650095984.db2.gz 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CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C2(OC)CCOCC2)s1 ZINC000453073389 650205558 /nfs/dbraw/zinc/20/55/58/650205558.db2.gz BAUWKFJQFNMVGS-CQSZACIVSA-N 1 0 390.571 2.452 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCOC1)c1ccc(F)c(I)c1 ZINC000453135073 650206151 /nfs/dbraw/zinc/20/61/51/650206151.db2.gz CRYWPRSLUZXLLQ-NURSFMCSSA-N 1 0 379.213 2.478 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)c2cn[nH]c2)c1 ZINC000453233754 650207376 /nfs/dbraw/zinc/20/73/76/650207376.db2.gz RWUQRPRQGPTDAG-LLVKDONJSA-N 1 0 387.303 2.110 20 0 GEADRO C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000453278632 650207666 /nfs/dbraw/zinc/20/76/66/650207666.db2.gz PONFROJPVGPYBG-ZIBATOQPSA-N 1 0 382.309 2.288 20 0 GEADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000453364065 650208516 /nfs/dbraw/zinc/20/85/16/650208516.db2.gz LPUYPRNLBCGTKG-BBRMVZONSA-N 1 0 397.317 2.269 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000453347841 650208539 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CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453704491 650218193 /nfs/dbraw/zinc/21/81/93/650218193.db2.gz DYJWSVBJNUBFJL-SNVBAGLBSA-N 1 0 388.693 2.451 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2c(F)cccc2Br)CC[N@@H+](C2CC2)C1 ZINC000453767470 650224174 /nfs/dbraw/zinc/22/41/74/650224174.db2.gz KVDHECMVJGNWIW-LLVKDONJSA-N 1 0 398.276 2.469 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c(Br)c1 ZINC000454065916 650250362 /nfs/dbraw/zinc/25/03/62/650250362.db2.gz GKCYITWLFUHJIP-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000454098441 650252776 /nfs/dbraw/zinc/25/27/76/650252776.db2.gz NAGKUVQOLPECAP-LBPRGKRZSA-N 1 0 386.265 2.468 20 0 GEADRO CN1CCO[C@@H](CNC(=O)NCCc2ccc(Br)cc2Cl)C1 ZINC000454443409 650266771 /nfs/dbraw/zinc/26/67/71/650266771.db2.gz RIWVLWRLFKUCKI-ZDUSSCGKSA-N 1 0 390.709 2.275 20 0 GEADRO COc1ccc(Br)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000454552633 650269496 /nfs/dbraw/zinc/26/94/96/650269496.db2.gz QJBYIOKMRDLAAG-ZDUSSCGKSA-N 1 0 386.290 2.426 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@H]1CS(C)(=O)=O)CC(C)C ZINC000454622254 650273854 /nfs/dbraw/zinc/27/38/54/650273854.db2.gz QWSZETAQUHLAQE-DLBZAZTESA-N 1 0 375.579 2.352 20 0 GEADRO COc1ccc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000454687704 650275912 /nfs/dbraw/zinc/27/59/12/650275912.db2.gz FTFFWGXNUZHVEJ-LBPRGKRZSA-N 1 0 386.290 2.426 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc(Br)cc4c3OCC4)C[C@@H]21 ZINC000454790191 650278764 /nfs/dbraw/zinc/27/87/64/650278764.db2.gz CLKFDZGTXMIYEH-DOMZBBRYSA-N 1 0 380.286 2.230 20 0 GEADRO O=C(c1ccc(I)cn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000455191072 650294279 /nfs/dbraw/zinc/29/42/79/650294279.db2.gz IKABYUSCYUDSPC-ZDUSSCGKSA-N 1 0 385.249 2.387 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000455378899 650301699 /nfs/dbraw/zinc/30/16/99/650301699.db2.gz RDZPLFUSKZWMTQ-LBPRGKRZSA-N 1 0 386.319 2.346 20 0 GEADRO O=C(c1ccc(I)cn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000455548731 650307543 /nfs/dbraw/zinc/30/75/43/650307543.db2.gz FKWMRNNFCWTKNJ-ZDUSSCGKSA-N 1 0 385.249 2.387 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H](c2nccs2)C(F)(F)F)CC1 ZINC000455655926 650311520 /nfs/dbraw/zinc/31/15/20/650311520.db2.gz LRXRXXWMOGSDPD-NWDGAFQWSA-N 1 0 380.436 2.139 20 0 GEADRO O=C(c1ccc(I)cn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000455718726 650314124 /nfs/dbraw/zinc/31/41/24/650314124.db2.gz BXOMWAORJPCCCU-GFCCVEGCSA-N 1 0 385.249 2.244 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(I)cn2)[C@@H](C)C1 ZINC000455731150 650314362 /nfs/dbraw/zinc/31/43/62/650314362.db2.gz AWYCNFDOIRBMAW-FZMZJTMJSA-N 1 0 387.265 2.489 20 0 GEADRO O=C(Nc1nnc2ccc(Br)cn21)N1CCC([NH+]2CCCC2)CC1 ZINC000455767660 650317464 /nfs/dbraw/zinc/31/74/64/650317464.db2.gz WNBGAXKHZHCCPR-UHFFFAOYSA-N 1 0 393.289 2.584 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)Nc2nnc3ccc(Br)cn32)CC1 ZINC000455765743 650317488 /nfs/dbraw/zinc/31/74/88/650317488.db2.gz USPWUWGTZKKXST-UHFFFAOYSA-N 1 0 395.305 2.734 20 0 GEADRO C[C@H](NC(=O)Nc1nc2cc(Br)ccn2n1)C(C)(C)C[NH+](C)C ZINC000455855869 650322076 /nfs/dbraw/zinc/32/20/76/650322076.db2.gz GJQOVQCOKCNQHV-JTQLQIEISA-N 1 0 383.294 2.590 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000455800987 650318861 /nfs/dbraw/zinc/31/88/61/650318861.db2.gz MHFMXTDLWGXVDT-LLVKDONJSA-N 1 0 385.306 2.461 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)[C@@H]2C1 ZINC000456070087 650329293 /nfs/dbraw/zinc/32/92/93/650329293.db2.gz ZJMHHXPOOWKQPP-YLFCFFPRSA-N 1 0 379.298 2.484 20 0 GEADRO C[C@@H](CC(N)=O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456365382 650338172 /nfs/dbraw/zinc/33/81/72/650338172.db2.gz HXGYTFRYGRQNDD-NWDGAFQWSA-N 1 0 397.317 2.039 20 0 GEADRO CCNC(=O)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456377158 650338328 /nfs/dbraw/zinc/33/83/28/650338328.db2.gz SVCDGVRXIPCZRV-LBPRGKRZSA-N 1 0 397.317 2.054 20 0 GEADRO O=C(Nc1cccc2c(Br)ccnc12)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000456563949 650348525 /nfs/dbraw/zinc/34/85/25/650348525.db2.gz JECJOSSJZYARMG-HNNXBMFYSA-N 1 0 375.270 2.326 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000456576234 650349449 /nfs/dbraw/zinc/34/94/49/650349449.db2.gz AAHIQWVJEWBNCZ-UHFFFAOYSA-N 1 0 384.249 2.256 20 0 GEADRO CN(CC(=O)NC1CC[NH+](C2CCC2)CC1)C(=O)c1ccc(Br)o1 ZINC000456683521 650354480 /nfs/dbraw/zinc/35/44/80/650354480.db2.gz LRXWBORZWDJGJB-UHFFFAOYSA-N 1 0 398.301 2.247 20 0 GEADRO O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000456710455 650356522 /nfs/dbraw/zinc/35/65/22/650356522.db2.gz GBOFIVQPMMKRCJ-GUYCJALGSA-N 1 0 399.304 2.482 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000457227067 650374464 /nfs/dbraw/zinc/37/44/64/650374464.db2.gz VNMNUPWXCUTHLK-UHFFFAOYSA-N 1 0 396.340 2.118 20 0 GEADRO COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500557100 650380448 /nfs/dbraw/zinc/38/04/48/650380448.db2.gz IECGDTZQMPAJSY-FZMZJTMJSA-N 1 0 391.331 2.265 20 0 GEADRO COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500557102 650380461 /nfs/dbraw/zinc/38/04/61/650380461.db2.gz IECGDTZQMPAJSY-SMDDNHRTSA-N 1 0 391.331 2.265 20 0 GEADRO COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500474378 650378760 /nfs/dbraw/zinc/37/87/60/650378760.db2.gz HFNVNHZCLBGXGE-BXUZGUMPSA-N 1 0 391.331 2.265 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000500492819 650379482 /nfs/dbraw/zinc/37/94/82/650379482.db2.gz BORUPPHDIJIOBQ-TZMCWYRMSA-N 1 0 380.432 2.435 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000457474619 650379581 /nfs/dbraw/zinc/37/95/81/650379581.db2.gz ZMPNUOXZMFPSNG-BETUJISGSA-N 1 0 397.317 2.430 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1Cl ZINC000500507728 650379824 /nfs/dbraw/zinc/37/98/24/650379824.db2.gz KSZWTVQMAYRQRL-MRXNPFEDSA-N 1 0 385.961 2.439 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(Cl)c1OC ZINC000500513765 650380006 /nfs/dbraw/zinc/38/00/06/650380006.db2.gz OFKQDFYZWZYGGZ-DGCLKSJQSA-N 1 0 376.906 2.165 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(SC)cc1OC ZINC000500511161 650380137 /nfs/dbraw/zinc/38/01/37/650380137.db2.gz DKQIOUBTVOXOGB-TZMCWYRMSA-N 1 0 388.555 2.233 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000500530708 650380140 /nfs/dbraw/zinc/38/01/40/650380140.db2.gz QFTYKPZUQJMLSF-SMDDNHRTSA-N 1 0 379.295 2.396 20 0 GEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)co1 ZINC000457608106 650381508 /nfs/dbraw/zinc/38/15/08/650381508.db2.gz JKONQBLLJXGBSN-QGZVFWFLSA-N 1 0 379.254 2.409 20 0 GEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)co1 ZINC000457608105 650381546 /nfs/dbraw/zinc/38/15/46/650381546.db2.gz JKONQBLLJXGBSN-KRWDZBQOSA-N 1 0 379.254 2.409 20 0 GEADRO CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000500829983 650383364 /nfs/dbraw/zinc/38/33/64/650383364.db2.gz UNUFKQVVTUDJFS-KRWDZBQOSA-N 1 0 375.579 2.353 20 0 GEADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000500952272 650385307 /nfs/dbraw/zinc/38/53/07/650385307.db2.gz HIRZQJBOWUSVCU-UHFFFAOYSA-N 1 0 387.937 2.482 20 0 GEADRO NC(=O)C[C@H]([NH2+]Cc1c(F)ccc(Br)c1F)C1CCOCC1 ZINC000501014316 650386138 /nfs/dbraw/zinc/38/61/38/650386138.db2.gz KDGVXXBTBTYPDR-ZDUSSCGKSA-N 1 0 377.229 2.488 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccc(F)cc2Br)C[C@H](C)[N@H+]1CCO ZINC000457938954 650389886 /nfs/dbraw/zinc/38/98/86/650389886.db2.gz UQVJPQVUSLHSPG-TXEJJXNPSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H]2CCOc3c(Br)cccc32)C[C@@H](C)O1 ZINC000501547349 650394741 /nfs/dbraw/zinc/39/47/41/650394741.db2.gz CKSWFSAWMHHCPD-WBOJAVRRSA-N 1 0 399.329 2.332 20 0 GEADRO C[C@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[S@]1=O ZINC000458378731 650401408 /nfs/dbraw/zinc/40/14/08/650401408.db2.gz GFTJOWDAFNMRQL-IVCQMTBJSA-N 1 0 387.615 2.291 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458384493 650401584 /nfs/dbraw/zinc/40/15/84/650401584.db2.gz AALPCESEEKKOOM-INIZCTEOSA-N 1 0 384.318 2.138 20 0 GEADRO CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)C1CCN(CC(F)(F)F)CC1 ZINC000458500887 650404547 /nfs/dbraw/zinc/40/45/47/650404547.db2.gz JEZMVEUUFCWTNW-OAHLLOKOSA-N 1 0 382.496 2.092 20 0 GEADRO Cc1cccc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1Br ZINC000458693482 650407946 /nfs/dbraw/zinc/40/79/46/650407946.db2.gz RFUJNQABJJQSHY-OKILXGFUSA-N 1 0 384.318 2.354 20 0 GEADRO CCC(CC)[C@H](CNC(=O)N(C)[C@H](C)CS(=O)(=O)CC)[NH+]1CCCC1 ZINC000502967817 650413200 /nfs/dbraw/zinc/41/32/00/650413200.db2.gz YWMWVSWICDRPPF-WBVHZDCISA-N 1 0 375.579 2.352 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)N(C)[C@H](C)CS(=O)(=O)CC)[NH+]1CCCC1 ZINC000502967815 650413238 /nfs/dbraw/zinc/41/32/38/650413238.db2.gz YWMWVSWICDRPPF-NVXWUHKLSA-N 1 0 375.579 2.352 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)NC1CCC(CS(C)(=O)=O)CC1 ZINC000458905077 650413862 /nfs/dbraw/zinc/41/38/62/650413862.db2.gz PXFSUAHLJUOVKR-UHFFFAOYSA-N 1 0 375.579 2.353 20 0 GEADRO C[C@@H](CNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)[NH+](C)C ZINC000459040733 650417890 /nfs/dbraw/zinc/41/78/90/650417890.db2.gz MRYOXEXFPTZYTB-LBPRGKRZSA-N 1 0 387.311 2.411 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000459055618 650418429 /nfs/dbraw/zinc/41/84/29/650418429.db2.gz FRRDSKZKFWZUSP-CZUORRHYSA-N 1 0 388.281 2.187 20 0 GEADRO Cc1cc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1Br ZINC000459168864 650420369 /nfs/dbraw/zinc/42/03/69/650420369.db2.gz GHUCLLRRVOQDCW-KBPBESRZSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@H]1CN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@@H]1[NH+](C)C ZINC000459211198 650421355 /nfs/dbraw/zinc/42/13/55/650421355.db2.gz LRUSJSLXKSHEOK-GWCFXTLKSA-N 1 0 380.290 2.417 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)[C@H]1SC ZINC000459450048 650424967 /nfs/dbraw/zinc/42/49/67/650424967.db2.gz OAPHPZFJGGQOAR-GZBFAFLISA-N 1 0 378.585 2.142 20 0 GEADRO C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000459489988 650426174 /nfs/dbraw/zinc/42/61/74/650426174.db2.gz RKVHPCWIYCYKHM-OCCSQVGLSA-N 1 0 380.286 2.254 20 0 GEADRO Cc1cc(OCCC[C@@H](C)[NH2+]CCNS(=O)(=O)N(C)C)ccc1Cl ZINC000459529960 650427535 /nfs/dbraw/zinc/42/75/35/650427535.db2.gz AGXJFXJTCNIEDL-CQSZACIVSA-N 1 0 377.938 2.182 20 0 GEADRO CN(C)S(=O)(=O)NCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000459538543 650427614 /nfs/dbraw/zinc/42/76/14/650427614.db2.gz OEBHJFCSOILTGL-ZFWWWQNUSA-N 1 0 379.448 2.327 20 0 GEADRO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000459538542 650427650 /nfs/dbraw/zinc/42/76/50/650427650.db2.gz OEBHJFCSOILTGL-UKRRQHHQSA-N 1 0 379.448 2.327 20 0 GEADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459708215 650430571 /nfs/dbraw/zinc/43/05/71/650430571.db2.gz SGQKRFLTKZPFJI-DOMZBBRYSA-N 1 0 387.293 2.386 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000459907437 650435256 /nfs/dbraw/zinc/43/52/56/650435256.db2.gz ACTMUJGXJBSSOT-UHFFFAOYSA-N 1 0 398.301 2.087 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000459925776 650435399 /nfs/dbraw/zinc/43/53/99/650435399.db2.gz IZJPQVXXDFLXGI-UHFFFAOYSA-N 1 0 394.313 2.104 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000504982464 650434257 /nfs/dbraw/zinc/43/42/57/650434257.db2.gz GEELCTMWYQVTKM-AWEZNQCLSA-N 1 0 381.782 2.469 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000459926861 650435508 /nfs/dbraw/zinc/43/55/08/650435508.db2.gz KKYIFOOJAYMQFO-UHFFFAOYSA-N 1 0 396.329 2.208 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000459936386 650436154 /nfs/dbraw/zinc/43/61/54/650436154.db2.gz JNXQHVYENHIXPY-ZDUSSCGKSA-N 1 0 398.301 2.087 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000459959371 650437024 /nfs/dbraw/zinc/43/70/24/650437024.db2.gz ANPWEVTZRJOIDO-OAHLLOKOSA-N 1 0 382.302 2.133 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)Cc1ccccc1 ZINC000460779623 650445894 /nfs/dbraw/zinc/44/58/94/650445894.db2.gz DNQLCIPHXCUDOH-AWEZNQCLSA-N 1 0 378.270 2.452 20 0 GEADRO COc1ccc(Br)cc1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000460791527 650445927 /nfs/dbraw/zinc/44/59/27/650445927.db2.gz HBOOAWORZWZEPY-INIZCTEOSA-N 1 0 399.329 2.473 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc(Br)cc32)C[C@@H]1C ZINC000461234196 650451283 /nfs/dbraw/zinc/45/12/83/650451283.db2.gz PROSZJKHUAQVPL-NWDGAFQWSA-N 1 0 380.286 2.458 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000506937650 650452264 /nfs/dbraw/zinc/45/22/64/650452264.db2.gz RQFXOXFADBSHNR-LBPRGKRZSA-N 1 0 391.896 2.069 20 0 GEADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000506935979 650452277 /nfs/dbraw/zinc/45/22/77/650452277.db2.gz FBHHJOILXWBUIO-GFCCVEGCSA-N 1 0 398.301 2.279 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1)CC(C)C ZINC000507053894 650454201 /nfs/dbraw/zinc/45/42/01/650454201.db2.gz MVOMUPLCJMIDTI-IAGOWNOFSA-N 1 0 375.579 2.352 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000461616165 650457344 /nfs/dbraw/zinc/45/73/44/650457344.db2.gz GMEANHXASIFMPR-CYBMUJFWSA-N 1 0 384.318 2.416 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(Br)c1 ZINC000461907378 650462403 /nfs/dbraw/zinc/46/24/03/650462403.db2.gz LPCKEAWLRAPGDB-SMDDNHRTSA-N 1 0 377.279 2.255 20 0 GEADRO C[C@H]1CSC[C@@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000507647482 650466059 /nfs/dbraw/zinc/46/60/59/650466059.db2.gz OUACFKQFMIFELJ-BBRMVZONSA-N 1 0 379.551 2.042 20 0 GEADRO C[C@H]1CSC[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000507647485 650466069 /nfs/dbraw/zinc/46/60/69/650466069.db2.gz OUACFKQFMIFELJ-XJKSGUPXSA-N 1 0 379.551 2.042 20 0 GEADRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)CCc1ccccc1Br ZINC000462083874 650466536 /nfs/dbraw/zinc/46/65/36/650466536.db2.gz JKDWRYKIUMJPFN-CYBMUJFWSA-N 1 0 375.332 2.205 20 0 GEADRO O=S(=O)(CCc1ccccc1Br)NCCC[NH+]1CCCC1 ZINC000462090616 650467094 /nfs/dbraw/zinc/46/70/94/650467094.db2.gz WBYZGOPRADUGKI-UHFFFAOYSA-N 1 0 375.332 2.397 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCc1ccccc1Br ZINC000462094418 650467618 /nfs/dbraw/zinc/46/76/18/650467618.db2.gz REVLTBXWSXVKKP-CQSZACIVSA-N 1 0 375.332 2.395 20 0 GEADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(Br)cn1)C(C)(C)C ZINC000462137501 650470515 /nfs/dbraw/zinc/47/05/15/650470515.db2.gz FPUXSVVSCZNIQL-LBPRGKRZSA-N 1 0 378.336 2.489 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000508202782 650477226 /nfs/dbraw/zinc/47/72/26/650477226.db2.gz APBXSNSRPJNVGV-UHFFFAOYSA-N 1 0 395.978 2.260 20 0 GEADRO CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C)CC[N@@H+]1C ZINC000508162553 650476625 /nfs/dbraw/zinc/47/66/25/650476625.db2.gz RUSUYCBLZZTQDX-AWEZNQCLSA-N 1 0 381.322 2.360 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462386537 650477629 /nfs/dbraw/zinc/47/76/29/650477629.db2.gz FBOVZLQCGWQDAV-KRWDZBQOSA-N 1 0 380.491 2.062 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462386538 650477738 /nfs/dbraw/zinc/47/77/38/650477738.db2.gz FBOVZLQCGWQDAV-QGZVFWFLSA-N 1 0 380.491 2.062 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000508814462 650483336 /nfs/dbraw/zinc/48/33/36/650483336.db2.gz WEXLXKGWLHBUQA-UHFFFAOYSA-N 1 0 395.308 2.495 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)C1 ZINC000462565397 650484299 /nfs/dbraw/zinc/48/42/99/650484299.db2.gz MCFIKKFSYQPSJX-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000462759718 650490443 /nfs/dbraw/zinc/49/04/43/650490443.db2.gz YPOYOERYHIPHAM-UHFFFAOYSA-N 1 0 381.885 2.432 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000509196511 650489437 /nfs/dbraw/zinc/48/94/37/650489437.db2.gz RWMXSHWMCCFXRM-KGLIPLIRSA-N 1 0 395.345 2.324 20 0 GEADRO COCCN1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000462835025 650490828 /nfs/dbraw/zinc/49/08/28/650490828.db2.gz CUVMGFOSBYYICU-WMLDXEAASA-N 1 0 396.329 2.173 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](C)C[N@@H+]1C ZINC000509630135 650497633 /nfs/dbraw/zinc/49/76/33/650497633.db2.gz AIQCVPLHBSVTIB-WWGRRREGSA-N 1 0 394.313 2.353 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000509634933 650498068 /nfs/dbraw/zinc/49/80/68/650498068.db2.gz QGTPRWGHOWZEMA-MCIONIFRSA-N 1 0 394.313 2.353 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000465712309 650499135 /nfs/dbraw/zinc/49/91/35/650499135.db2.gz BQYFZGKOIDRHAC-AWEZNQCLSA-N 1 0 380.290 2.380 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000509807191 650501046 /nfs/dbraw/zinc/50/10/46/650501046.db2.gz MLOGNOUSGAGNKZ-VIFPVBQESA-N 1 0 381.782 2.286 20 0 GEADRO C[C@H](CCc1c(F)cccc1F)[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000510649403 650515915 /nfs/dbraw/zinc/51/59/15/650515915.db2.gz HMUNPWHQRUAZRZ-CYBMUJFWSA-N 1 0 378.510 2.254 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]CCOc1ccc(I)cc1 ZINC000511009329 650523059 /nfs/dbraw/zinc/52/30/59/650523059.db2.gz FEDVOQGFNMALOX-NSHDSACASA-N 1 0 397.278 2.083 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000473256179 650525697 /nfs/dbraw/zinc/52/56/97/650525697.db2.gz QMSCNCPGKDHOHQ-QGZVFWFLSA-N 1 0 395.301 2.272 20 0 GEADRO COC(=O)c1ccc(Cl)c(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000511123163 650526970 /nfs/dbraw/zinc/52/69/70/650526970.db2.gz PWIDARAYQGTMGI-ZDUSSCGKSA-N 1 0 388.917 2.230 20 0 GEADRO CSc1ccccc1C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000511156798 650528480 /nfs/dbraw/zinc/52/84/80/650528480.db2.gz RCQFKCXBWBEIFA-UHFFFAOYSA-N 1 0 377.535 2.378 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1cc(I)c(C)cc1C ZINC000475519256 650534596 /nfs/dbraw/zinc/53/45/96/650534596.db2.gz GFWCLBUYCWJJNR-UHFFFAOYSA-N 1 0 390.265 2.216 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000476128879 650544704 /nfs/dbraw/zinc/54/47/04/650544704.db2.gz BVOYJVXCYWGUQS-UHFFFAOYSA-N 1 0 383.290 2.103 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511955028 650542829 /nfs/dbraw/zinc/54/28/29/650542829.db2.gz LYVZPDZZBZURSG-UHFFFAOYSA-N 1 0 398.301 2.134 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000476319577 650548288 /nfs/dbraw/zinc/54/82/88/650548288.db2.gz DAUXZHFJWIAIQF-KRWDZBQOSA-N 1 0 398.345 2.338 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000476502644 650551968 /nfs/dbraw/zinc/55/19/68/650551968.db2.gz FLFIMABPXDPHHD-VXGBXAGGSA-N 1 0 397.335 2.254 20 0 GEADRO Cc1nn(C)c(C)c1CC[NH2+]Cc1ncc(I)s1 ZINC000512082089 650545191 /nfs/dbraw/zinc/54/51/91/650545191.db2.gz CRVGYXKHHVENSH-UHFFFAOYSA-N 1 0 376.267 2.430 20 0 GEADRO C[C@@H]1CSCCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512734432 650553338 /nfs/dbraw/zinc/55/33/38/650553338.db2.gz KNPUGGGZWUIKFX-IJEWVQPXSA-N 1 0 381.567 2.211 20 0 GEADRO CSC1(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000512744443 650553739 /nfs/dbraw/zinc/55/37/39/650553739.db2.gz LVUUYYAAEGSTOL-HIFRSBDPSA-N 1 0 381.567 2.259 20 0 GEADRO Cn1cccc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512856281 650555390 /nfs/dbraw/zinc/55/53/90/650555390.db2.gz MHOKXEAIJLNFHO-UHFFFAOYSA-N 1 0 386.315 2.246 20 0 GEADRO COc1cccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1OC(F)F ZINC000513021659 650556767 /nfs/dbraw/zinc/55/67/67/650556767.db2.gz HTCILFKOUZAHDO-ZDUSSCGKSA-N 1 0 378.441 2.200 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@H](C)[N@H+]1C ZINC000513078928 650557714 /nfs/dbraw/zinc/55/77/14/650557714.db2.gz XPUNWKGZEPVPTN-TXEJJXNPSA-N 1 0 383.286 2.314 20 0 GEADRO CC(C)(O)C[NH+]1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000513127078 650558124 /nfs/dbraw/zinc/55/81/24/650558124.db2.gz CJMNOFNVTATDTM-UHFFFAOYSA-N 1 0 384.311 2.463 20 0 GEADRO COC(=O)C[C@@](C)([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(Br)cc1 ZINC000513166568 650559226 /nfs/dbraw/zinc/55/92/26/650559226.db2.gz MJGHCOHYIOKBBZ-NVXWUHKLSA-N 1 0 396.285 2.075 20 0 GEADRO C[NH+](C)CCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000476847801 650561083 /nfs/dbraw/zinc/56/10/83/650561083.db2.gz LRZFDUSZUDRABH-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO Cc1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1Br ZINC000513402599 650562714 /nfs/dbraw/zinc/56/27/14/650562714.db2.gz XZFSJWKOZBNEKE-UHFFFAOYSA-N 1 0 380.330 2.498 20 0 GEADRO COC(=O)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000513463092 650563503 /nfs/dbraw/zinc/56/35/03/650563503.db2.gz ZYZTYSPYKACAAA-JQWIXIFHSA-N 1 0 392.677 2.337 20 0 GEADRO COc1cc(Br)c(CN(C)C2CC[NH+](CCO)CC2)c(OC)c1 ZINC000513558636 650564856 /nfs/dbraw/zinc/56/48/56/650564856.db2.gz OSNFYBJYPTVFEP-UHFFFAOYSA-N 1 0 387.318 2.355 20 0 GEADRO CC1CC[NH+](CCCNC(=O)NCCCn2cc(Br)cn2)CC1 ZINC000477011738 650565878 /nfs/dbraw/zinc/56/58/78/650565878.db2.gz PJJVZLYDCUYOPY-UHFFFAOYSA-N 1 0 386.338 2.457 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000477030511 650566717 /nfs/dbraw/zinc/56/67/17/650566717.db2.gz FLZCNULAVJHTTM-UWVGGRQHSA-N 1 0 380.436 2.186 20 0 GEADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCF)s1)N1CCOCC1 ZINC000513656659 650567182 /nfs/dbraw/zinc/56/71/82/650567182.db2.gz WEPPBCXCQMUYMA-UKRRQHHQSA-N 1 0 376.519 2.387 20 0 GEADRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000514107554 650573788 /nfs/dbraw/zinc/57/37/88/650573788.db2.gz MZHUITANKJXKAX-CQSZACIVSA-N 1 0 387.933 2.272 20 0 GEADRO C[C@H](CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1ccc(Br)cc1 ZINC000514614569 650575091 /nfs/dbraw/zinc/57/50/91/650575091.db2.gz LMPWHFRRADHXQX-CHWSQXEVSA-N 1 0 384.318 2.125 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000477586187 650576461 /nfs/dbraw/zinc/57/64/61/650576461.db2.gz BIXGYAIUMHTPSH-UHFFFAOYSA-N 1 0 396.329 2.007 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000514679543 650576856 /nfs/dbraw/zinc/57/68/56/650576856.db2.gz KYOCUTCRCIGVPY-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000514824275 650580377 /nfs/dbraw/zinc/58/03/77/650580377.db2.gz AGGLMRONCVSHMQ-ABAIWWIYSA-N 1 0 382.302 2.360 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000514900173 650582926 /nfs/dbraw/zinc/58/29/26/650582926.db2.gz POEDAQVNJJZXKM-BXUZGUMPSA-N 1 0 380.286 2.333 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000514939500 650584228 /nfs/dbraw/zinc/58/42/28/650584228.db2.gz SGHPBRAEKBHXFI-QWRGUYRKSA-N 1 0 386.290 2.417 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000514939504 650584233 /nfs/dbraw/zinc/58/42/33/650584233.db2.gz SGHPBRAEKBHXFI-WDEREUQCSA-N 1 0 386.290 2.417 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccc(Br)cn2)CC1)Nc1cccnc1 ZINC000478454894 650586031 /nfs/dbraw/zinc/58/60/31/650586031.db2.gz PZHJUOTZOCFSFU-UHFFFAOYSA-N 1 0 390.285 2.390 20 0 GEADRO CC(C)OC[C@@H](O)C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000515637608 650593166 /nfs/dbraw/zinc/59/31/66/650593166.db2.gz BCVPIKRSRUILNM-HNNXBMFYSA-N 1 0 387.318 2.173 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000478635031 650589089 /nfs/dbraw/zinc/58/90/89/650589089.db2.gz UTEKEACWHCQVIX-ZDUSSCGKSA-N 1 0 382.302 2.360 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000515199945 650589329 /nfs/dbraw/zinc/58/93/29/650589329.db2.gz SRGYXCXJEFGUBE-INIZCTEOSA-N 1 0 394.313 2.312 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000515221030 650589959 /nfs/dbraw/zinc/58/99/59/650589959.db2.gz LZODZVJRHAPKPA-RISCZKNCSA-N 1 0 398.301 2.360 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000515234274 650590227 /nfs/dbraw/zinc/59/02/27/650590227.db2.gz GFIWMHJYQJOYOJ-YSVLISHTSA-N 1 0 387.318 2.030 20 0 GEADRO C[N@H+](C[C@@H](O)CNC1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000515256033 650590478 /nfs/dbraw/zinc/59/04/78/650590478.db2.gz RDXGDICXUUMNOK-KRWDZBQOSA-N 1 0 383.330 2.500 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000515310344 650591499 /nfs/dbraw/zinc/59/14/99/650591499.db2.gz QWXQVYFZJCQJNP-NSHDSACASA-N 1 0 379.258 2.457 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000515342240 650591971 /nfs/dbraw/zinc/59/19/71/650591971.db2.gz MBUVJVUPJMVTTB-CYBMUJFWSA-N 1 0 387.311 2.204 20 0 GEADRO CSC1(CNC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)CC[NH+](C)CC1 ZINC000515716038 650593596 /nfs/dbraw/zinc/59/35/96/650593596.db2.gz BYMVLFMBQDJGOZ-LBPRGKRZSA-N 1 0 379.452 2.150 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000479030399 650594524 /nfs/dbraw/zinc/59/45/24/650594524.db2.gz SIFWTKRXGFUEAJ-OAHLLOKOSA-N 1 0 382.302 2.406 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000479053047 650595143 /nfs/dbraw/zinc/59/51/43/650595143.db2.gz YMLJRWUFRRKXTE-VXGBXAGGSA-N 1 0 384.307 2.394 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479064743 650595491 /nfs/dbraw/zinc/59/54/91/650595491.db2.gz QUUVZRXMHLYMGP-GXSJLCMTSA-N 1 0 397.324 2.079 20 0 GEADRO COc1cccc(Cc2nnc(NC(=O)c3csc(CC[NH3+])n3)s2)c1 ZINC000479152511 650597707 /nfs/dbraw/zinc/59/77/07/650597707.db2.gz FNTKSJNRVFAGIB-UHFFFAOYSA-N 1 0 375.479 2.348 20 0 GEADRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479396271 650602856 /nfs/dbraw/zinc/60/28/56/650602856.db2.gz VKOMBYVDYQCPQU-SYLNSOGPSA-N 1 0 387.354 2.449 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479459735 650604162 /nfs/dbraw/zinc/60/41/62/650604162.db2.gz XBTOBHJKOWPKAB-OWYVNGRQSA-N 1 0 397.324 2.485 20 0 GEADRO O=C(NCC1CCN(CC(F)F)CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000518396955 650604486 /nfs/dbraw/zinc/60/44/86/650604486.db2.gz KRNSMPZRUBJOMK-INIZCTEOSA-N 1 0 375.529 2.297 20 0 GEADRO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000518514645 650605676 /nfs/dbraw/zinc/60/56/76/650605676.db2.gz FHPNYPSFGZPAPQ-MKPLZMMCSA-N 1 0 377.798 2.243 20 0 GEADRO O=C(Nc1ccc(Br)cc1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000479679176 650608156 /nfs/dbraw/zinc/60/81/56/650608156.db2.gz RUQRJSKDXVBVIL-UHFFFAOYSA-N 1 0 398.301 2.140 20 0 GEADRO Cc1cc(CNC(=O)NC[C@H]2CCC[N@H+]2C)ccc1I ZINC000479970360 650613738 /nfs/dbraw/zinc/61/37/38/650613738.db2.gz QVZMHJGWUXNSMJ-CYBMUJFWSA-N 1 0 387.265 2.493 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)[N@H+](C)C1CC1 ZINC000519610602 650609340 /nfs/dbraw/zinc/60/93/40/650609340.db2.gz RGWAITNSJDSDFK-IINYFYTJSA-N 1 0 380.286 2.474 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2Br)C[C@H]1C ZINC000519694900 650610745 /nfs/dbraw/zinc/61/07/45/650610745.db2.gz RKZRSDOFYOHKSS-HIFRSBDPSA-N 1 0 396.329 2.397 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNCc2cc(Br)cc(Br)c2)C1 ZINC000520211764 650613960 /nfs/dbraw/zinc/61/39/60/650613960.db2.gz SCNNZKLGAMUTKQ-CYBMUJFWSA-N 1 0 378.108 2.368 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000519702665 650611067 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CS[C@@H]1CN([C@@H](C(N)=O)c2cccc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000484623739 650687893 /nfs/dbraw/zinc/68/78/93/650687893.db2.gz RNWIMSBDCPDMEP-BZUAXINKSA-N 1 0 398.370 2.487 20 0 GEADRO CS[C@@H]1CN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@@H]1[NH+]1CCCC1 ZINC000484644077 650688403 /nfs/dbraw/zinc/68/84/03/650688403.db2.gz UIHFTKSEOHTWLI-SOUVJXGZSA-N 1 0 379.492 2.299 20 0 GEADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000484656248 650688716 /nfs/dbraw/zinc/68/87/16/650688716.db2.gz ZQRDWCISSOGIPC-LSDHHAIUSA-N 1 0 392.315 2.006 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528337416 650689084 /nfs/dbraw/zinc/68/90/84/650689084.db2.gz XKMBCUCRXVQHHH-QWRGUYRKSA-N 1 0 382.404 2.355 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000484725639 650689197 /nfs/dbraw/zinc/68/91/97/650689197.db2.gz RRMMENUCQXKJKF-GFCCVEGCSA-N 1 0 382.302 2.477 20 0 GEADRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527977646 650684024 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C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000486209249 650709013 /nfs/dbraw/zinc/70/90/13/650709013.db2.gz DEIPIHBNBDECNT-MFKMUULPSA-N 1 0 378.274 2.048 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000486307848 650711311 /nfs/dbraw/zinc/71/13/11/650711311.db2.gz HTNBPFMMNFWIPQ-UHFFFAOYSA-N 1 0 385.302 2.397 20 0 GEADRO CC[C@@H](C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)[NH+](CC)CC ZINC000486668464 650718359 /nfs/dbraw/zinc/71/83/59/650718359.db2.gz WHMVQPLWDOGDGC-NSHDSACASA-N 1 0 379.452 2.326 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000530229381 650718976 /nfs/dbraw/zinc/71/89/76/650718976.db2.gz GKXSADUCOBFUNF-HNNXBMFYSA-N 1 0 375.332 2.153 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ncccc3Br)C2)CC1 ZINC000530287925 650719705 /nfs/dbraw/zinc/71/97/05/650719705.db2.gz MHXIJODHJWLJBZ-AWEZNQCLSA-N 1 0 381.318 2.085 20 0 GEADRO Cc1c(C(=O)NCC[N@H+]2CC=CCC2)nnn1-c1cccc(Br)c1 ZINC000530306893 650720715 /nfs/dbraw/zinc/72/07/15/650720715.db2.gz 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IUFRINOKJXXKAX-UHFFFAOYSA-N 1 0 386.290 2.197 20 0 GEADRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Br)o3)cn2)CC1 ZINC000011533201 642369182 /nfs/dbraw/zinc/36/91/82/642369182.db2.gz XAJBTFOGWKELKB-UHFFFAOYSA-N 1 0 379.258 2.119 20 0 GEADRO C[C@@H](CNC(=O)NCCCn1cc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000488488527 650746351 /nfs/dbraw/zinc/74/63/51/650746351.db2.gz HQFPVRGZVCAUPJ-AWEZNQCLSA-N 1 0 386.338 2.455 20 0 GEADRO O=C(CN1CC[NH+](C[C@H]2CCCOC2)CC1)Nc1ccc(Br)cc1 ZINC000532271292 650747228 /nfs/dbraw/zinc/74/72/28/650747228.db2.gz PDNZQETVXBXORZ-OAHLLOKOSA-N 1 0 396.329 2.432 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)N2CCC3(CCCCC3)CC2)CCSC1 ZINC000532476797 650748116 /nfs/dbraw/zinc/74/81/16/650748116.db2.gz MUUTWWYYKWAMOV-KRWDZBQOSA-N 1 0 375.604 2.304 20 0 GEADRO [NH3+][C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000020432624 642398097 /nfs/dbraw/zinc/39/80/97/642398097.db2.gz GDIBLRFDJGJKAZ-VIFPVBQESA-N 1 0 398.120 2.323 20 0 GEADRO O=C(NC[C@H](O)C(F)F)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000489143155 650755265 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COc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC000046035102 642601937 /nfs/dbraw/zinc/60/19/37/642601937.db2.gz GXTLHABHTSSBMH-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000046043533 642602706 /nfs/dbraw/zinc/60/27/06/642602706.db2.gz OJOILOZBFLARFK-CYBMUJFWSA-N 1 0 382.302 2.120 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000046043535 642602881 /nfs/dbraw/zinc/60/28/81/642602881.db2.gz OJOILOZBFLARFK-ZDUSSCGKSA-N 1 0 382.302 2.120 20 0 GEADRO CN1C(=O)C[C@@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534340187 650773112 /nfs/dbraw/zinc/77/31/12/650773112.db2.gz IIBGZGWBCOGYGJ-DAYGRLMNSA-N 1 0 381.929 2.165 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000534379764 650773502 /nfs/dbraw/zinc/77/35/02/650773502.db2.gz WRGQJAJJIBVCJQ-BDJLRTHQSA-N 1 0 390.297 2.131 20 0 GEADRO COCC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCOC1 ZINC000490106293 650768782 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CC[C@@H](Cc1ccccc1Br)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000490583266 650776627 /nfs/dbraw/zinc/77/66/27/650776627.db2.gz IWUCJCWCBKRBLD-DOTOQJQBSA-N 1 0 380.330 2.276 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1ccc(I)c(F)c1 ZINC000534524472 650776865 /nfs/dbraw/zinc/77/68/65/650776865.db2.gz FZUQXPMFXDDSML-UHFFFAOYSA-N 1 0 385.180 2.089 20 0 GEADRO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638669 642724088 /nfs/dbraw/zinc/72/40/88/642724088.db2.gz JHLYMDJLNHAAFQ-KBPBESRZSA-N 1 0 386.279 2.214 20 0 GEADRO Cc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000054086695 642746822 /nfs/dbraw/zinc/74/68/22/642746822.db2.gz ZDTUINRGILNTSU-UHFFFAOYSA-N 1 0 378.274 2.270 20 0 GEADRO CS[C@H]1CN(C(=O)COc2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000534828174 650780866 /nfs/dbraw/zinc/78/08/66/650780866.db2.gz ZGIJYJRWZSCHDQ-JSGCOSHPSA-N 1 0 391.306 2.471 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000054988860 642766464 /nfs/dbraw/zinc/76/64/64/642766464.db2.gz XIHJEFGTDQQIJZ-INIZCTEOSA-N 1 0 380.583 2.255 20 0 GEADRO CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000491587912 650787578 /nfs/dbraw/zinc/78/75/78/650787578.db2.gz CSNKWRKQVAYSGK-HNNXBMFYSA-N 1 0 390.933 2.470 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000491600488 650787685 /nfs/dbraw/zinc/78/76/85/650787685.db2.gz CMXCJFDWHZOTFR-DZGCQCFKSA-N 1 0 378.489 2.327 20 0 GEADRO C[N@H+](CCNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)C1CC1 ZINC000491829590 650788907 /nfs/dbraw/zinc/78/89/07/650788907.db2.gz FQINYJSJHJAKSQ-GFCCVEGCSA-N 1 0 376.284 2.127 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2Br)C[C@@H]1[NH+](C)C ZINC000535621540 650789348 /nfs/dbraw/zinc/78/93/48/650789348.db2.gz PHXHIQNWXLPGOK-QWHCGFSZSA-N 1 0 393.372 2.424 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000057172200 642807719 /nfs/dbraw/zinc/80/77/19/642807719.db2.gz FQVIMIMIAOZMRE-NSHDSACASA-N 1 0 388.331 2.089 20 0 GEADRO CC[NH+]1CCC(NC(=O)CSc2nnc(NCC(F)(F)F)s2)CC1 ZINC000057773286 642817070 /nfs/dbraw/zinc/81/70/70/642817070.db2.gz MAKNJGZDVQNCAN-UHFFFAOYSA-N 1 0 383.465 2.205 20 0 GEADRO COc1nc(N2CC[NH+](C[C@H]3CCO[C@H](C)C3)CC2)ncc1Br ZINC000491251397 650784639 /nfs/dbraw/zinc/78/46/39/650784639.db2.gz YRMCOPRVAGWZOL-OLZOCXBDSA-N 1 0 385.306 2.185 20 0 GEADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880393 642829775 /nfs/dbraw/zinc/82/97/75/642829775.db2.gz IETAOALKUMQWGL-QGZVFWFLSA-N 1 0 388.599 2.021 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000535140338 650785620 /nfs/dbraw/zinc/78/56/20/650785620.db2.gz BYTFHXAXHOKDAR-UHFFFAOYSA-N 1 0 378.897 2.352 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(OC)c(Br)s1 ZINC000535835827 650791247 /nfs/dbraw/zinc/79/12/47/650791247.db2.gz RDZACAFLZAJCEZ-JTQLQIEISA-N 1 0 379.320 2.342 20 0 GEADRO C[NH+](C)CCCNC(=S)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000063675916 642862295 /nfs/dbraw/zinc/86/22/95/642862295.db2.gz SQEMMVGFCSMVDK-UHFFFAOYSA-N 1 0 382.961 2.314 20 0 GEADRO O=C(COC(=O)c1ccc(Br)c(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000064212659 642870790 /nfs/dbraw/zinc/87/07/90/642870790.db2.gz VQIRKYIFSWZUGN-UHFFFAOYSA-N 1 0 399.260 2.488 20 0 GEADRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000065244085 642879922 /nfs/dbraw/zinc/87/99/22/642879922.db2.gz UTOFRJPTWWGGFP-GOEBONIOSA-N 1 0 399.329 2.427 20 0 GEADRO Cn1cnc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1Cl ZINC000065972157 642893295 /nfs/dbraw/zinc/89/32/95/642893295.db2.gz URCODOIFVBIFNY-UHFFFAOYSA-N 1 0 391.324 2.479 20 0 GEADRO Cc1nn(C)c(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000065972200 642893405 /nfs/dbraw/zinc/89/34/05/642893405.db2.gz VLVXJYLZGNLWOS-UHFFFAOYSA-N 1 0 384.933 2.443 20 0 GEADRO C[C@]1(CO)CCC[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000493543312 650795070 /nfs/dbraw/zinc/79/50/70/650795070.db2.gz JUGFOYFHYBWZPY-FVQBIDKESA-N 1 0 376.266 2.469 20 0 GEADRO C[N@H+](CC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F)[C@@H]1CCSC1 ZINC000536075521 650796015 /nfs/dbraw/zinc/79/60/15/650796015.db2.gz SGPGABNPGUHSNU-IUODEOHRSA-N 1 0 383.514 2.103 20 0 GEADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)C1COC1 ZINC000493734859 650796199 /nfs/dbraw/zinc/79/61/99/650796199.db2.gz GEQGEXRWCHSPFJ-UHFFFAOYSA-N 1 0 381.325 2.476 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493906241 650798716 /nfs/dbraw/zinc/79/87/16/650798716.db2.gz LBTOXNLRPTUYSJ-QGZVFWFLSA-N 1 0 380.330 2.499 20 0 GEADRO CCS(=O)(=O)NCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000066875772 642944586 /nfs/dbraw/zinc/94/45/86/642944586.db2.gz XBJPMLLVLOMQOA-UHFFFAOYSA-N 1 0 383.901 2.343 20 0 GEADRO O[C@H](C[NH2+]Cc1ccncc1)COc1ccc(I)cc1 ZINC000066992941 642957321 /nfs/dbraw/zinc/95/73/21/642957321.db2.gz WTSLLCADWFARRR-CQSZACIVSA-N 1 0 384.217 2.216 20 0 GEADRO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C[C@@H]1O ZINC000536369392 650801046 /nfs/dbraw/zinc/80/10/46/650801046.db2.gz OFRIVTGLMJHEAJ-WDMOLILDSA-N 1 0 388.249 2.321 20 0 GEADRO CC(=O)N[C@H](CC(=O)NCC[N@@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000067873041 642979632 /nfs/dbraw/zinc/97/96/32/642979632.db2.gz HWUHAZSVAQFUIZ-MRXNPFEDSA-N 1 0 382.302 2.227 20 0 GEADRO CC[NH+]1CCC(NC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000068364464 642991238 /nfs/dbraw/zinc/99/12/38/642991238.db2.gz ZYXXSOYXVCMJHF-UHFFFAOYSA-N 1 0 384.274 2.461 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000068487303 643002007 /nfs/dbraw/zinc/00/20/07/643002007.db2.gz IXVHAJYOTFIYGU-CJNGLKHVSA-N 1 0 394.313 2.355 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CSc2ccccc2Cl)CC1 ZINC000068498942 643003243 /nfs/dbraw/zinc/00/32/43/643003243.db2.gz WUWZNFRLCKAJQK-UHFFFAOYSA-N 1 0 383.945 2.349 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)c(O)c3)C2)CC1 ZINC000536545177 650805284 /nfs/dbraw/zinc/80/52/84/650805284.db2.gz ZCQHZSJMXWEFNZ-OAHLLOKOSA-N 1 0 396.329 2.395 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@]23CCC(=O)N2c2ccccc2S3)C[C@@H]1[NH+](C)C ZINC000536815845 650807980 /nfs/dbraw/zinc/80/79/80/650807980.db2.gz PMDOYSXYHLUBRH-JOQOYGCGSA-N 1 0 377.535 2.119 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C(F)(F)F)n1 ZINC000070027165 643047155 /nfs/dbraw/zinc/04/71/55/643047155.db2.gz INPWJNMCVSGGRL-LALPHHSUSA-N 1 0 377.432 2.335 20 0 GEADRO C[C@H](O)C[NH+]1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000494487519 650809024 /nfs/dbraw/zinc/80/90/24/650809024.db2.gz XGIJGBKZCBZRKP-LBPRGKRZSA-N 1 0 377.710 2.480 20 0 GEADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)CC2 ZINC000494521499 650810090 /nfs/dbraw/zinc/81/00/90/650810090.db2.gz DHHJCMZZJGMVAK-AWEZNQCLSA-N 1 0 390.347 2.167 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000091710766 643066275 /nfs/dbraw/zinc/06/62/75/643066275.db2.gz QJQYFIORQKGKMD-HUUCEWRRSA-N 1 0 396.333 2.158 20 0 GEADRO C[C@@H](CNC(=O)c1cnn2cc(Br)cnc12)[NH+]1CCC(C)CC1 ZINC000094062379 643085583 /nfs/dbraw/zinc/08/55/83/643085583.db2.gz GBLUAPZDQKWZFL-LBPRGKRZSA-N 1 0 380.290 2.342 20 0 GEADRO CC[N@H+](CC(=O)Nc1ccccc1I)CC(C)(C)O ZINC000096578198 643090743 /nfs/dbraw/zinc/09/07/43/643090743.db2.gz WCJMZRITFRADHS-UHFFFAOYSA-N 1 0 376.238 2.323 20 0 GEADRO NC(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000098129948 643103292 /nfs/dbraw/zinc/10/32/92/643103292.db2.gz HWPUKYFHTZRKPQ-LBPRGKRZSA-N 1 0 391.693 2.040 20 0 GEADRO O=S(=O)(C[C@@H](O)C[NH2+]C1CC(OCc2ccccc2)C1)c1cccs1 ZINC000494639021 650813731 /nfs/dbraw/zinc/81/37/31/650813731.db2.gz TYLBYOLPRFOLFE-CGZBRXJRSA-N 1 0 381.519 2.220 20 0 GEADRO C[NH+]1CCC(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000101522552 643105686 /nfs/dbraw/zinc/10/56/86/643105686.db2.gz VKBIKJNETFENSS-AWEZNQCLSA-N 1 0 394.313 2.260 20 0 GEADRO C[C@H](C(=O)NCC(C)(C)c1ccc(Br)cc1)N1CCN(C)CC1 ZINC000101643925 643113857 /nfs/dbraw/zinc/11/38/57/643113857.db2.gz DLBPWKQGTMHDBJ-CQSZACIVSA-N 1 0 382.346 2.479 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000101953299 643118809 /nfs/dbraw/zinc/11/88/09/643118809.db2.gz QXMYQNWQULRFKG-SNVBAGLBSA-N 1 0 376.320 2.085 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000101953699 643119316 /nfs/dbraw/zinc/11/93/16/643119316.db2.gz STRIGCSPXZKVTE-UHFFFAOYSA-N 1 0 380.539 2.385 20 0 GEADRO NC(=O)[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000102416363 643127176 /nfs/dbraw/zinc/12/71/76/643127176.db2.gz BPOOSHZFWKZUOY-MRXNPFEDSA-N 1 0 390.281 2.385 20 0 GEADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCOCC[NH+](C)C ZINC000537545397 650816144 /nfs/dbraw/zinc/81/61/44/650816144.db2.gz QTYRWWSRMJKMLQ-LLVKDONJSA-N 1 0 377.254 2.050 20 0 GEADRO CN(CC1CC[NH+](C)CC1)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000103462120 643166469 /nfs/dbraw/zinc/16/64/69/643166469.db2.gz CHOROUGLZCOOMK-UHFFFAOYSA-N 1 0 380.286 2.210 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1sccc1Br ZINC000104752097 643192441 /nfs/dbraw/zinc/19/24/41/643192441.db2.gz STTFNYTZGVBGOH-UHFFFAOYSA-N 1 0 399.376 2.490 20 0 GEADRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccccc1 ZINC000104832699 643194846 /nfs/dbraw/zinc/19/48/46/643194846.db2.gz XFNDTLGVIAUYOY-MRXNPFEDSA-N 1 0 381.523 2.095 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105080655 643199934 /nfs/dbraw/zinc/19/99/34/643199934.db2.gz PDYIUHSVWKQPOF-CQSZACIVSA-N 1 0 397.317 2.432 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(Br)cn3C)CC2)c1 ZINC000105336992 643203410 /nfs/dbraw/zinc/20/34/10/643203410.db2.gz DVIDOZRCWPQQIU-UHFFFAOYSA-N 1 0 379.258 2.154 20 0 GEADRO C[N@H+](CC(=O)NCc1ccc(Cl)s1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075739 643220084 /nfs/dbraw/zinc/22/00/84/643220084.db2.gz AMBXQHMHWJYCOR-CYBMUJFWSA-N 1 0 379.917 2.409 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000495394248 650824932 /nfs/dbraw/zinc/82/49/32/650824932.db2.gz DOEWLNWWXXXCOE-QWHCGFSZSA-N 1 0 382.302 2.025 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000495136902 650822868 /nfs/dbraw/zinc/82/28/68/650822868.db2.gz GEWWWGCYDCDRJU-GOEBONIOSA-N 1 0 381.318 2.421 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000495136906 650823115 /nfs/dbraw/zinc/82/31/15/650823115.db2.gz GEWWWGCYDCDRJU-ZBFHGGJFSA-N 1 0 381.318 2.421 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1Cl ZINC000106788810 643238864 /nfs/dbraw/zinc/23/88/64/643238864.db2.gz PCHCTMWGMDKRRE-ZDUSSCGKSA-N 1 0 385.917 2.458 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000106800317 643238911 /nfs/dbraw/zinc/23/89/11/643238911.db2.gz LKNRIRJXLQQOPI-CQSZACIVSA-N 1 0 384.293 2.440 20 0 GEADRO CC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000495196316 650823653 /nfs/dbraw/zinc/82/36/53/650823653.db2.gz UGACJJDFOJOPJT-ABAIWWIYSA-N 1 0 388.249 2.465 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)CC1 ZINC000106894028 643243543 /nfs/dbraw/zinc/24/35/43/643243543.db2.gz WDIXIIBPJWCJOW-ZDUSSCGKSA-N 1 0 392.352 2.394 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000107357062 643254326 /nfs/dbraw/zinc/25/43/26/643254326.db2.gz LKDVSTNLHWXIFX-HNNXBMFYSA-N 1 0 396.329 2.397 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000107890817 643263379 /nfs/dbraw/zinc/26/33/79/643263379.db2.gz CLJDKKCYIAQZEJ-BBRMVZONSA-N 1 0 381.929 2.313 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108336972 643271488 /nfs/dbraw/zinc/27/14/88/643271488.db2.gz YZSCBFVMSJNARN-GHMZBOCLSA-N 1 0 388.331 2.087 20 0 GEADRO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108565158 643276758 /nfs/dbraw/zinc/27/67/58/643276758.db2.gz LMMLCIBUDBUEGC-CYBMUJFWSA-N 1 0 396.285 2.461 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000108619262 643279215 /nfs/dbraw/zinc/27/92/15/643279215.db2.gz WXMUNJNANSOADB-CQSZACIVSA-N 1 0 380.286 2.297 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000108617602 643279243 /nfs/dbraw/zinc/27/92/43/643279243.db2.gz LPOVUGOFFOSRBJ-ZDUSSCGKSA-N 1 0 380.286 2.297 20 0 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COC(=O)CN(C)C(=O)CC[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000111252971 643330739 /nfs/dbraw/zinc/33/07/39/643330739.db2.gz JIMYRLPXRDHNSX-UHFFFAOYSA-N 1 0 385.302 2.381 20 0 GEADRO C[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000111402964 643339250 /nfs/dbraw/zinc/33/92/50/643339250.db2.gz KHXIKRQEBALIGE-GHMZBOCLSA-N 1 0 379.309 2.022 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000111503372 643341089 /nfs/dbraw/zinc/34/10/89/643341089.db2.gz FHGJARJNDXRIAH-AWEZNQCLSA-N 1 0 383.334 2.193 20 0 GEADRO CC(C)(C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)NS(C)(=O)=O ZINC000111772522 643346578 /nfs/dbraw/zinc/34/65/78/643346578.db2.gz VCDDLDHWQVCTDB-CQSZACIVSA-N 1 0 375.332 2.224 20 0 GEADRO CC[N@H+](C)CCNC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000111843099 643348159 /nfs/dbraw/zinc/34/81/59/643348159.db2.gz OYQWSEQGXPZPDM-UHFFFAOYSA-N 1 0 399.333 2.049 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000111864961 643348792 /nfs/dbraw/zinc/34/87/92/643348792.db2.gz 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C[C@H](CNC(=O)CSc1nc2ccccc2s1)C[NH+]1CCN(C)CC1 ZINC000114140926 643407524 /nfs/dbraw/zinc/40/75/24/643407524.db2.gz NOZVFQJUFPCHCE-CQSZACIVSA-N 1 0 378.567 2.388 20 0 GEADRO COc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1Br ZINC000114381581 643416667 /nfs/dbraw/zinc/41/66/67/643416667.db2.gz YUZIZAPEKPAEHK-UHFFFAOYSA-N 1 0 398.345 2.461 20 0 GEADRO CN(C)CC[NH+]1CCC(CNC(=O)Cc2ccc(Br)s2)CC1 ZINC000114381397 643416737 /nfs/dbraw/zinc/41/67/37/643416737.db2.gz JWKHMXRPKLBRSQ-UHFFFAOYSA-N 1 0 388.375 2.443 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000114400829 643417312 /nfs/dbraw/zinc/41/73/12/643417312.db2.gz KUGVSLVVHPCXOQ-KBPBESRZSA-N 1 0 394.313 2.212 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(F)cc(F)c2)[C@H](C)C1 ZINC000115591811 643443272 /nfs/dbraw/zinc/44/32/72/643443272.db2.gz MJTNRSXCDLTFIK-DYVFJYSZSA-N 1 0 376.469 2.380 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000115591749 643443436 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C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CC1 ZINC000118102955 643505698 /nfs/dbraw/zinc/50/56/98/643505698.db2.gz HEHPEFNYTJNFMZ-GFCCVEGCSA-N 1 0 375.803 2.336 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(OC)ccc1Br)C(C)C ZINC000118118740 643505850 /nfs/dbraw/zinc/50/58/50/643505850.db2.gz VSAYXERHVVRSJQ-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000118118131 643505862 /nfs/dbraw/zinc/50/58/62/643505862.db2.gz CMUOGUQWPOCUFS-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000118442750 643512942 /nfs/dbraw/zinc/51/29/42/643512942.db2.gz ZCFAETXXSDJTOT-CQSZACIVSA-N 1 0 387.933 2.032 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000118954141 643527819 /nfs/dbraw/zinc/52/78/19/643527819.db2.gz HEWATGJVSJLUCD-LLVKDONJSA-N 1 0 375.416 2.332 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000119344916 643547545 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CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCCSCC(F)(F)F)C2)CC1 ZINC000539910839 650853333 /nfs/dbraw/zinc/85/33/33/650853333.db2.gz WTUGQOFWCVPIPV-AWEZNQCLSA-N 1 0 382.496 2.092 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000539920707 650853711 /nfs/dbraw/zinc/85/37/11/650853711.db2.gz PTSPRWWBOTUOKA-ZDUSSCGKSA-N 1 0 375.282 2.340 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000539921410 650853775 /nfs/dbraw/zinc/85/37/75/650853775.db2.gz XILFSOKCAACDGB-UKRRQHHQSA-N 1 0 387.318 2.425 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(I)cc1 ZINC000539922305 650853779 /nfs/dbraw/zinc/85/37/79/650853779.db2.gz QXCJVMJJFHNUBQ-AWEZNQCLSA-N 1 0 390.265 2.114 20 0 GEADRO C[NH+](C)CCCCNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000498364048 650855226 /nfs/dbraw/zinc/85/52/26/650855226.db2.gz BCFIDYOUEMNRCQ-UHFFFAOYSA-N 1 0 398.301 2.023 20 0 GEADRO CC(C)CCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000122136679 643651202 /nfs/dbraw/zinc/65/12/02/643651202.db2.gz RTDQEEXVMZEZOG-AWEZNQCLSA-N 1 0 376.544 2.499 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000540149364 650858087 /nfs/dbraw/zinc/85/80/87/650858087.db2.gz NDZXISSJOSMWEE-LBPRGKRZSA-N 1 0 388.917 2.480 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC000124060959 643680652 /nfs/dbraw/zinc/68/06/52/643680652.db2.gz AKGSPUQXETYPKA-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO CC(=O)N(C)C1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000124054563 643681110 /nfs/dbraw/zinc/68/11/10/643681110.db2.gz JTUANKKUICXBRS-UHFFFAOYSA-N 1 0 393.285 2.059 20 0 GEADRO CC[N@H+](C)CCNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000125158896 643701771 /nfs/dbraw/zinc/70/17/71/643701771.db2.gz CULMBDNEKNNRBX-UHFFFAOYSA-N 1 0 387.571 2.431 20 0 GEADRO C[NH+]1CCN(c2cc(CNC(=O)c3cc(Cl)nc(Cl)c3)ccn2)CC1 ZINC000125779788 643710424 /nfs/dbraw/zinc/71/04/24/643710424.db2.gz NNFNVUBCJSSMCU-UHFFFAOYSA-N 1 0 380.279 2.465 20 0 GEADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)ccc1S(C)(=O)=O ZINC000125801025 643710922 /nfs/dbraw/zinc/71/09/22/643710922.db2.gz OJAFNAPLJXGNRN-YPMHNXCESA-N 1 0 380.432 2.386 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000126134241 643721858 /nfs/dbraw/zinc/72/18/58/643721858.db2.gz ZKGAJYQXPCBPNT-UHFFFAOYSA-N 1 0 383.333 2.029 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000498641234 650861480 /nfs/dbraw/zinc/86/14/80/650861480.db2.gz ANHVUUBETQUWEJ-CHWSQXEVSA-N 1 0 382.302 2.258 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000498658219 650861951 /nfs/dbraw/zinc/86/19/51/650861951.db2.gz NGZZEMYODGLOOV-UHFFFAOYSA-N 1 0 377.819 2.379 20 0 GEADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000498664600 650862158 /nfs/dbraw/zinc/86/21/58/650862158.db2.gz VKBISLIFTRCEPW-UHFFFAOYSA-N 1 0 392.656 2.392 20 0 GEADRO Brc1cnc(C[NH2+]CCCn2ccnn2)c(Br)c1 ZINC000126647269 643739699 /nfs/dbraw/zinc/73/96/99/643739699.db2.gz MNEAGRMFTSCSRZ-UHFFFAOYSA-N 1 0 375.068 2.378 20 0 GEADRO CS[C@H]1CN(c2cc(Br)cc(F)c2C(N)=O)C[C@H]1[NH+](C)C ZINC000540296842 650862553 /nfs/dbraw/zinc/86/25/53/650862553.db2.gz FALVPAAKQSJKFR-NEPJUHHUSA-N 1 0 376.295 2.169 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000540300541 650862626 /nfs/dbraw/zinc/86/26/26/650862626.db2.gz CEJSDGVDSAQCJL-XYPHTWIQSA-N 1 0 396.329 2.031 20 0 GEADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc(Br)c[nH]1 ZINC000126882290 643749517 /nfs/dbraw/zinc/74/95/17/643749517.db2.gz SDVYXIMBPTZPIV-HUUCEWRRSA-N 1 0 378.270 2.142 20 0 GEADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc(Br)c[nH]1 ZINC000126882449 643749564 /nfs/dbraw/zinc/74/95/64/643749564.db2.gz SDVYXIMBPTZPIV-CABCVRRESA-N 1 0 378.270 2.142 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000127251568 643766278 /nfs/dbraw/zinc/76/62/78/643766278.db2.gz DONSIMMVNVXKQF-VXGBXAGGSA-N 1 0 383.286 2.314 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000127254638 643766339 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CC(C)N(CCS(C)(=O)=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000129922077 643827791 /nfs/dbraw/zinc/82/77/91/643827791.db2.gz WIDGWFIDSYGDMX-IRXDYDNUSA-N 1 0 375.579 2.209 20 0 GEADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000130604241 643844724 /nfs/dbraw/zinc/84/47/24/643844724.db2.gz XKXBCNGSPBNADQ-UHFFFAOYSA-N 1 0 378.947 2.464 20 0 GEADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000130772042 643850671 /nfs/dbraw/zinc/85/06/71/643850671.db2.gz MGKUXUVQFVFWJY-CABZTGNLSA-N 1 0 390.228 2.300 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000130952861 643857189 /nfs/dbraw/zinc/85/71/89/643857189.db2.gz PHUHSBRFMCPTCJ-UKRRQHHQSA-N 1 0 382.302 2.041 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C[NH3+])ccc1Cl ZINC000131163809 643867173 /nfs/dbraw/zinc/86/71/73/643867173.db2.gz QDUYWHPFAHWNDC-AWEZNQCLSA-N 1 0 387.933 2.324 20 0 GEADRO O=C(/C=C/c1c(Cl)nc2sccn12)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131253221 643868382 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Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000158608661 644151705 /nfs/dbraw/zinc/15/17/05/644151705.db2.gz CILUXDWKKZQKAZ-LBPRGKRZSA-N 1 0 382.555 2.462 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000158811306 644161763 /nfs/dbraw/zinc/16/17/63/644161763.db2.gz TXDBYCIXIAAJLK-UHFFFAOYSA-N 1 0 378.270 2.458 20 0 GEADRO COC(=O)CC[N@@H+]1CCN(Cc2nc3cc(Br)ccc3[nH]2)[C@H](C)C1 ZINC000161609001 644213905 /nfs/dbraw/zinc/21/39/05/644213905.db2.gz FLCSBBNKNHSQQS-GFCCVEGCSA-N 1 0 395.301 2.395 20 0 GEADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1C(F)(F)F ZINC000161695324 644216131 /nfs/dbraw/zinc/21/61/31/644216131.db2.gz HWKAAVLJLLPSCV-CYBMUJFWSA-N 1 0 380.432 2.221 20 0 GEADRO Cc1cc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(Cl)cc1F ZINC000161701050 644216173 /nfs/dbraw/zinc/21/61/73/644216173.db2.gz VJLHOIARFDGXHF-ZDUSSCGKSA-N 1 0 378.897 2.303 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000161714733 644216774 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C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CCO1 ZINC000163045396 644246129 /nfs/dbraw/zinc/24/61/29/644246129.db2.gz GYSJFOJELYSLBQ-ZUZCIYMTSA-N 1 0 379.258 2.027 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C(C)(C)C ZINC000163443424 644256867 /nfs/dbraw/zinc/25/68/67/644256867.db2.gz RZYOFNJIGHYULX-CYBMUJFWSA-N 1 0 393.912 2.223 20 0 GEADRO C[C@H]1CCN(CC(=O)Nc2ccccc2I)C[C@@H]1C[NH3+] ZINC000163814880 644258507 /nfs/dbraw/zinc/25/85/07/644258507.db2.gz LWBNFNBSJVPRLO-RYUDHWBXSA-N 1 0 387.265 2.146 20 0 GEADRO COCCNc1nn(CN2CCN(c3cc(C)ccn3)CC2)c(=S)s1 ZINC000165866895 644271714 /nfs/dbraw/zinc/27/17/14/644271714.db2.gz XEQCMGDBUFPDLN-UHFFFAOYSA-N 1 0 380.543 2.216 20 0 GEADRO O=C(Nc1ccc(Br)nc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000166841520 644278498 /nfs/dbraw/zinc/27/84/98/644278498.db2.gz ZWNPQHNGYKWLAJ-LBPRGKRZSA-N 1 0 383.290 2.467 20 0 GEADRO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000170864597 644292969 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CHPHGHKNJXJSEM-SUMWQHHRSA-N 1 0 382.917 2.034 20 0 GEADRO C[C@H](CNC(=O)c1cccn2c(I)cnc12)[N@H+](C)C1CC1 ZINC000177193232 644410254 /nfs/dbraw/zinc/41/02/54/644410254.db2.gz UHXPOPSCDYLBMQ-SNVBAGLBSA-N 1 0 398.248 2.151 20 0 GEADRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(I)cc1 ZINC000543674186 650918595 /nfs/dbraw/zinc/91/85/95/650918595.db2.gz IKSWHNZYPAFRJZ-UHFFFAOYSA-N 1 0 396.294 2.301 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000543675957 650919137 /nfs/dbraw/zinc/91/91/37/650919137.db2.gz KIGRQOXARLPSJM-GFCCVEGCSA-N 1 0 388.917 2.477 20 0 GEADRO COc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c(I)c1 ZINC000178808949 644439925 /nfs/dbraw/zinc/43/99/25/644439925.db2.gz KPLCNUBPDJFQRD-JTQLQIEISA-N 1 0 388.249 2.499 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000178811933 644440792 /nfs/dbraw/zinc/44/07/92/644440792.db2.gz ZHAKHMTXPNMMOP-JSGCOSHPSA-N 1 0 394.313 2.388 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c2ccccc2sc1C(=O)OC 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385.306 2.184 20 0 GEADRO CC(C)[C@@H]([NH2+]CCOc1ccccc1Br)C(=O)N1CCOCC1 ZINC000180059487 644485717 /nfs/dbraw/zinc/48/57/17/644485717.db2.gz KTNYGKPBFCBDKR-MRXNPFEDSA-N 1 0 385.302 2.301 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000543875269 650926953 /nfs/dbraw/zinc/92/69/53/650926953.db2.gz RIICATBGWQPIGY-UHFFFAOYSA-N 1 0 398.345 2.096 20 0 GEADRO Cc1cc(Br)cc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1O ZINC000180616680 644510080 /nfs/dbraw/zinc/51/00/80/644510080.db2.gz JFUAFYVTQPNCLW-INIZCTEOSA-N 1 0 396.329 2.202 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000181149036 644526328 /nfs/dbraw/zinc/52/63/28/644526328.db2.gz UZFFRXOHWVPZKS-UHFFFAOYSA-N 1 0 392.924 2.094 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000181146170 644526544 /nfs/dbraw/zinc/52/65/44/644526544.db2.gz CVEQOHNYXOWMSV-AWEZNQCLSA-N 1 0 392.315 2.314 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000543992107 650929945 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CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000182164544 644958893 /nfs/dbraw/zinc/95/88/93/644958893.db2.gz FWFPNCNEXMVSGK-MLGOLLRUSA-N 1 0 382.507 2.192 20 0 GEADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCO1 ZINC000182353718 644962260 /nfs/dbraw/zinc/96/22/60/644962260.db2.gz BSYYEOSDRCFXOQ-UONOGXRCSA-N 1 0 376.425 2.169 20 0 GEADRO COc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)nc1Br ZINC000183027949 644977736 /nfs/dbraw/zinc/97/77/36/644977736.db2.gz OIOCDDSMDROXGJ-GFCCVEGCSA-N 1 0 386.290 2.036 20 0 GEADRO O=C(CCc1cc(F)ccc1Br)NCCC[NH+]1CCC(O)CC1 ZINC000183073994 644978210 /nfs/dbraw/zinc/97/82/10/644978210.db2.gz QJRJMSGFWLJRDQ-UHFFFAOYSA-N 1 0 387.293 2.484 20 0 GEADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)NCC[N@H+](C)C(C)C)c1 ZINC000183122008 644980450 /nfs/dbraw/zinc/98/04/50/644980450.db2.gz LUYPIYLJDVRODB-UHFFFAOYSA-N 1 0 391.331 2.313 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000183176040 644984228 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CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000545396449 650972876 /nfs/dbraw/zinc/97/28/76/650972876.db2.gz NTXTZIYZQJMLAL-KRWDZBQOSA-N 1 0 385.302 2.133 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186169188 645061895 /nfs/dbraw/zinc/06/18/95/645061895.db2.gz BDQWUSCMIDISLQ-AWEZNQCLSA-N 1 0 390.933 2.375 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000186746212 645074238 /nfs/dbraw/zinc/07/42/38/645074238.db2.gz XDBZNJXVWXFAAL-LLVKDONJSA-N 1 0 385.306 2.461 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000186747261 645074360 /nfs/dbraw/zinc/07/43/60/645074360.db2.gz DLDKWTLJIKPQAL-CQSZACIVSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C1CCS(=O)(=O)CC1 ZINC000187065525 645082452 /nfs/dbraw/zinc/08/24/52/645082452.db2.gz AELJTKLTMZFXAA-JTQLQIEISA-N 1 0 390.299 2.481 20 0 GEADRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c1O ZINC000187157854 645083585 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RIZIOSZUASANOQ-CYBMUJFWSA-N 1 0 384.318 2.214 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2ncc(Br)s2)ccn1 ZINC000192440978 645206287 /nfs/dbraw/zinc/20/62/87/645206287.db2.gz IVXRWNSIPMPWAH-UHFFFAOYSA-N 1 0 385.287 2.171 20 0 GEADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192538707 645210878 /nfs/dbraw/zinc/21/08/78/645210878.db2.gz XXFRJXOCAXEZHA-UHFFFAOYSA-N 1 0 393.322 2.187 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCc2ccc(Cl)cc21 ZINC000192569485 645211323 /nfs/dbraw/zinc/21/13/23/645211323.db2.gz HIUXPOLZWWTGBW-UHFFFAOYSA-N 1 0 382.917 2.466 20 0 GEADRO Cn1c2ccc(C[NH2+]Cc3ccccc3CS(C)(=O)=O)cc2sc1=O ZINC000192605518 645214414 /nfs/dbraw/zinc/21/44/14/645214414.db2.gz BKPAAMZGLKJGHJ-UHFFFAOYSA-N 1 0 376.503 2.434 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)C[C@@H]2C1 ZINC000192916564 645229407 /nfs/dbraw/zinc/22/94/07/645229407.db2.gz GIKGQVJXEZPQQR-DTORHVGOSA-N 1 0 397.697 2.424 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193080679 645238891 /nfs/dbraw/zinc/23/88/91/645238891.db2.gz ABXOCLOJFPTAMV-LBPRGKRZSA-N 1 0 397.317 2.409 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193087932 645240042 /nfs/dbraw/zinc/24/00/42/645240042.db2.gz FRNSTPFUOZGRMS-LBPRGKRZSA-N 1 0 375.897 2.230 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000193104861 645241736 /nfs/dbraw/zinc/24/17/36/645241736.db2.gz DAYYISYXKPSIGW-CYBMUJFWSA-N 1 0 379.448 2.010 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ncc1Br ZINC000193107746 645242303 /nfs/dbraw/zinc/24/23/03/645242303.db2.gz IISAJZNUJIZNKI-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2cc(Br)cs2)[C@@H](C)C1 ZINC000193144878 645245360 /nfs/dbraw/zinc/24/53/60/645245360.db2.gz KHBMXRWFJVZFBC-NWDGAFQWSA-N 1 0 375.332 2.357 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000193242527 645254885 /nfs/dbraw/zinc/25/48/85/645254885.db2.gz WHMUPLXVISWHGB-YXQSOJMXSA-N 1 0 388.917 2.315 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000193244733 645255619 /nfs/dbraw/zinc/25/56/19/645255619.db2.gz RVIWJDWPYOSWQR-LBPRGKRZSA-N 1 0 394.313 2.286 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193282803 645260942 /nfs/dbraw/zinc/26/09/42/645260942.db2.gz OHQFNBMLMHXPNH-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000193286005 645261438 /nfs/dbraw/zinc/26/14/38/645261438.db2.gz OAKCKNCVOPGODV-UWVGGRQHSA-N 1 0 395.294 2.345 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+]CCCc1ccc2c(c1)CCO2)c1cccs1 ZINC000193304515 645264870 /nfs/dbraw/zinc/26/48/70/645264870.db2.gz UCLJHUCAEJGUTF-MRXNPFEDSA-N 1 0 381.519 2.040 20 0 GEADRO [NH3+]CCCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000193315452 645266592 /nfs/dbraw/zinc/26/65/92/645266592.db2.gz YKPUSDAYCHLVOJ-UHFFFAOYSA-N 1 0 375.210 2.485 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000193390037 645269469 /nfs/dbraw/zinc/26/94/69/645269469.db2.gz HIFVLILUKNLCQU-UHFFFAOYSA-N 1 0 387.933 2.289 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ncc1Br ZINC000193560002 645283830 /nfs/dbraw/zinc/28/38/30/645283830.db2.gz JYSVFFBFXQKGIA-CYBMUJFWSA-N 1 0 397.317 2.424 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000193577184 645286034 /nfs/dbraw/zinc/28/60/34/645286034.db2.gz SBTKSNKPKBGVAB-CQDKDKBSSA-N 1 0 380.286 2.059 20 0 GEADRO CCC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000193779560 645298049 /nfs/dbraw/zinc/29/80/49/645298049.db2.gz YMHNVZNOZDZKSD-LLVKDONJSA-N 1 0 388.331 2.183 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000193808113 645301223 /nfs/dbraw/zinc/30/12/23/645301223.db2.gz NJZWXGMOGJHRCU-OAHLLOKOSA-N 1 0 378.519 2.404 20 0 GEADRO COCC[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000194052872 645310316 /nfs/dbraw/zinc/31/03/16/645310316.db2.gz FDEZRKHJWWSVDP-UHFFFAOYSA-N 1 0 379.302 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C[C@@H]1CCN(C(=O)c2ccc(F)cc2I)C[C@@H]1C[NH3+] ZINC000235312287 645409079 /nfs/dbraw/zinc/40/90/79/645409079.db2.gz YIPNVAZPLYUGKF-ZJUUUORDSA-N 1 0 376.213 2.487 20 0 GEADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC2CCC([NH3+])CC2)s1 ZINC000236607452 645413941 /nfs/dbraw/zinc/41/39/41/645413941.db2.gz IATOWPYXLGMNMY-UHFFFAOYSA-N 1 0 387.571 2.001 20 0 GEADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236655528 645416698 /nfs/dbraw/zinc/41/66/98/645416698.db2.gz ZBAOSNZDQOAKIQ-DXBFTMOHSA-N 1 0 392.297 2.201 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NC2CCC([NH3+])CC2)ccc1Br ZINC000236653734 645416735 /nfs/dbraw/zinc/41/67/35/645416735.db2.gz BRTJQMMHZMOTBV-UHFFFAOYSA-N 1 0 375.288 2.200 20 0 GEADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000236655138 645416760 /nfs/dbraw/zinc/41/67/60/645416760.db2.gz UCEGAEBZAFYVCJ-AWEZNQCLSA-N 1 0 390.285 2.417 20 0 GEADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000236658393 645417770 /nfs/dbraw/zinc/41/77/70/645417770.db2.gz OQMHERDIJNCOLI-KRWDZBQOSA-N 1 0 384.318 2.449 20 0 GEADRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000236721956 645418419 /nfs/dbraw/zinc/41/84/19/645418419.db2.gz OZCFECVCUZNUOJ-MRXNPFEDSA-N 1 0 375.922 2.084 20 0 GEADRO CCC[NH2+]CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000236837482 645419287 /nfs/dbraw/zinc/41/92/87/645419287.db2.gz KUFBKUTWMVKMIS-UHFFFAOYSA-N 1 0 387.933 2.244 20 0 GEADRO CN(C(=O)c1ccc2ncc(I)n2c1)C1CCC([NH3+])CC1 ZINC000237012810 645421925 /nfs/dbraw/zinc/42/19/25/645421925.db2.gz ZHZBVRSGMANLRU-UHFFFAOYSA-N 1 0 398.248 2.281 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)c(Cl)cc1Cl ZINC000237194632 645425958 /nfs/dbraw/zinc/42/59/58/645425958.db2.gz HRFPIBGRBIFRKA-SECBINFHSA-N 1 0 381.281 2.139 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC2CCC([NH3+])CC2)c(Cl)cc1Cl ZINC000237198011 645426982 /nfs/dbraw/zinc/42/69/82/645426982.db2.gz ANBZZJSMUCNLID-UHFFFAOYSA-N 1 0 381.281 2.328 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@H](C[NH3+])C3CC3)[nH]c(=O)c2c1C ZINC000237340788 645428213 /nfs/dbraw/zinc/42/82/13/645428213.db2.gz CEIHPVHUKJVKBL-ZYHUDNBSSA-N 1 0 380.539 2.077 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@H]3CCC[NH2+]C3)[nH]c(=O)c2c1C ZINC000237340850 645428502 /nfs/dbraw/zinc/42/85/02/645428502.db2.gz CFPQZVWLRJLEOY-NEPJUHHUSA-N 1 0 380.539 2.091 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000237382516 645429683 /nfs/dbraw/zinc/42/96/83/645429683.db2.gz OTUCCVCHQCBTCM-HNNXBMFYSA-N 1 0 381.523 2.209 20 0 GEADRO C[NH2+]CCN(C)C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000237368197 645429920 /nfs/dbraw/zinc/42/99/20/645429920.db2.gz UWJSDVSEMKGETP-UHFFFAOYSA-N 1 0 378.274 2.199 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000237382446 645429941 /nfs/dbraw/zinc/42/99/41/645429941.db2.gz OTUCCVCHQCBTCM-OAHLLOKOSA-N 1 0 381.523 2.209 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000237418525 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378.523 2.267 20 0 GEADRO C[C@@H]1CCCN(C(=O)COc2ccc(I)cc2)[C@H]1C[NH3+] ZINC000237502267 645434541 /nfs/dbraw/zinc/43/45/41/645434541.db2.gz QWDNIVRWIMQPJY-RISCZKNCSA-N 1 0 388.249 2.256 20 0 GEADRO CN(C)c1cc[nH+]cc1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000546793189 651010670 /nfs/dbraw/zinc/01/06/70/651010670.db2.gz MVKGAYNMNUBJGO-UHFFFAOYSA-N 1 0 375.230 2.111 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000237520965 645435489 /nfs/dbraw/zinc/43/54/89/645435489.db2.gz CRIFNISWFRTNOA-JSGCOSHPSA-N 1 0 385.917 2.076 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000237590955 645437142 /nfs/dbraw/zinc/43/71/42/645437142.db2.gz PWLUGBMDPHAFFO-JQWIXIFHSA-N 1 0 396.310 2.445 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000237589716 645437565 /nfs/dbraw/zinc/43/75/65/645437565.db2.gz UMURRDLMRFFABS-SNVBAGLBSA-N 1 0 378.274 2.232 20 0 GEADRO C[C@@]1(C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[NH2+]C1 ZINC000237615368 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O[C@@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)C(F)(F)F ZINC000268302500 645957387 /nfs/dbraw/zinc/95/73/87/645957387.db2.gz YMXOYVKXQHKKKX-HNNXBMFYSA-N 1 0 382.810 2.064 20 0 GEADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2sccc2OC)cc1 ZINC000268781960 645998320 /nfs/dbraw/zinc/99/83/20/645998320.db2.gz IUYPHZBZUGTGND-UHFFFAOYSA-N 1 0 383.491 2.134 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000268785275 645999234 /nfs/dbraw/zinc/99/92/34/645999234.db2.gz BFMLIWBUGNVWAD-KRWDZBQOSA-N 1 0 384.293 2.329 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000268861892 646001391 /nfs/dbraw/zinc/00/13/91/646001391.db2.gz RQSODYGJPHXSEG-GFCCVEGCSA-N 1 0 379.448 2.272 20 0 GEADRO COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1Cl ZINC000268877346 646002410 /nfs/dbraw/zinc/00/24/10/646002410.db2.gz DUQRXJOIYXQZLP-RYUDHWBXSA-N 1 0 376.906 2.432 20 0 GEADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268931873 646007211 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20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269521768 646045250 /nfs/dbraw/zinc/04/52/50/646045250.db2.gz SFRYGUVLJAMINR-IUODEOHRSA-N 1 0 384.523 2.172 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000269526530 646046027 /nfs/dbraw/zinc/04/60/27/646046027.db2.gz UWOAUQMQEUNSOO-BLLLJJGKSA-N 1 0 380.901 2.388 20 0 GEADRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000269755110 646051675 /nfs/dbraw/zinc/05/16/75/646051675.db2.gz IJMCRCRABCXKJI-CYBMUJFWSA-N 1 0 383.539 2.010 20 0 GEADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000269771566 646054348 /nfs/dbraw/zinc/05/43/48/646054348.db2.gz LFUVASABAWJIOW-WMLDXEAASA-N 1 0 390.318 2.217 20 0 GEADRO CN(CC[NH2+]Cc1cnc([C@H]2CCCO2)s1)S(=O)(=O)c1cccs1 ZINC000270117763 646086307 /nfs/dbraw/zinc/08/63/07/646086307.db2.gz NWXFTQUWJNJPLH-CYBMUJFWSA-N 1 0 387.552 2.466 20 0 GEADRO O=C(c1cncc(I)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000270237819 646095064 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393.329 2.466 20 0 GEADRO O=C(c1ccncc1Br)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000366223957 647700224 /nfs/dbraw/zinc/70/02/24/647700224.db2.gz VQFSHUFEJWCKOM-UHFFFAOYSA-N 1 0 382.302 2.419 20 0 GEADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cnn2cc(Br)cnc12 ZINC000366561811 647701806 /nfs/dbraw/zinc/70/18/06/647701806.db2.gz OSGCKHRBMNIMGL-UHFFFAOYSA-N 1 0 378.274 2.239 20 0 GEADRO Cc1nc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)sc1S(N)(=O)=O ZINC000367218779 647724702 /nfs/dbraw/zinc/72/47/02/647724702.db2.gz JOXWUDSZVFOFCP-WCQYABFASA-N 1 0 386.568 2.655 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000367308119 647728396 /nfs/dbraw/zinc/72/83/96/647728396.db2.gz NFVQUXUWACGEGO-HUUCEWRRSA-N 1 0 379.302 2.128 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1Br ZINC000367766680 647744069 /nfs/dbraw/zinc/74/40/69/647744069.db2.gz DDYVUFXTJHJZPK-IUODEOHRSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000368097580 647750510 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COc1cc(OC)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1Cl ZINC000416473530 648138416 /nfs/dbraw/zinc/13/84/16/648138416.db2.gz PGRFFBMJURJRPK-UHFFFAOYSA-N 1 0 376.906 2.462 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000416491089 648146323 /nfs/dbraw/zinc/14/63/23/648146323.db2.gz WZBAXEIQWSPDPY-QGZVFWFLSA-N 1 0 386.901 2.233 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000416496310 648149078 /nfs/dbraw/zinc/14/90/78/648149078.db2.gz OUHKUKFGSNTPEF-LLVKDONJSA-N 1 0 397.324 2.249 20 0 GEADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000416498487 648150276 /nfs/dbraw/zinc/15/02/76/648150276.db2.gz XOWTZJUGMPQIJE-NSHDSACASA-N 1 0 384.299 2.227 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416507794 648153175 /nfs/dbraw/zinc/15/31/75/648153175.db2.gz MHDHZSNIZOAKRE-UHFFFAOYSA-N 1 0 383.283 2.215 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000416715761 648209130 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C[NH2+]C[C@@H]1CCCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417223658 648234369 /nfs/dbraw/zinc/23/43/69/648234369.db2.gz LIWUOXVDQBTMED-AWEZNQCLSA-N 1 0 383.290 2.171 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[NH2+]1 ZINC000417227040 648234788 /nfs/dbraw/zinc/23/47/88/648234788.db2.gz PSNNQFDBMDMQJO-BXUZGUMPSA-N 1 0 383.290 2.217 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417226067 648234829 /nfs/dbraw/zinc/23/48/29/648234829.db2.gz OMSXYRMMZZTXIA-NWDGAFQWSA-N 1 0 383.290 2.170 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)[C@@H](C[NH3+])C1 ZINC000417237856 648235974 /nfs/dbraw/zinc/23/59/74/648235974.db2.gz KJXXTTBPBPWBKO-UMVBOHGHSA-N 1 0 398.301 2.420 20 0 GEADRO COC[C@]1(CNC(=O)NCCc2cc(Br)ccc2F)CCC[NH2+]1 ZINC000417291283 648237759 /nfs/dbraw/zinc/23/77/59/648237759.db2.gz AGSMUCJCHWPHJW-MRXNPFEDSA-N 1 0 388.281 2.199 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000417297908 648238311 /nfs/dbraw/zinc/23/83/11/648238311.db2.gz JPCMJFDLXZJKDT-NSHDSACASA-N 1 0 398.301 2.489 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417298271 648238691 /nfs/dbraw/zinc/23/86/91/648238691.db2.gz KSDGHFOQOMNDNZ-WCQYABFASA-N 1 0 398.301 2.489 20 0 GEADRO C[C@@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000417315975 648239171 /nfs/dbraw/zinc/23/91/71/648239171.db2.gz TXRGZDAPPAGLDO-CZUORRHYSA-N 1 0 381.318 2.199 20 0 GEADRO C[C@@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(Br)cc1 ZINC000417309339 648239244 /nfs/dbraw/zinc/23/92/44/648239244.db2.gz JIXONEUVBAEWNT-OCCSQVGLSA-N 1 0 397.317 2.007 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2Cl)CCCO1 ZINC000417334711 648239694 /nfs/dbraw/zinc/23/96/94/648239694.db2.gz FUCIEIWGEXMJGV-GFCCVEGCSA-N 1 0 376.682 2.362 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccccc2Br)CC12CCOCC2 ZINC000417356360 648240169 /nfs/dbraw/zinc/24/01/69/648240169.db2.gz PJQBSZCPGSEKGA-HNNXBMFYSA-N 1 0 396.329 2.389 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417364605 648240584 /nfs/dbraw/zinc/24/05/84/648240584.db2.gz HQTXUSPRSPLLRX-AAEUAGOBSA-N 1 0 383.290 2.217 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000417368805 648240886 /nfs/dbraw/zinc/24/08/86/648240886.db2.gz PHNJRLAVSXRGAX-QWHCGFSZSA-N 1 0 397.317 2.465 20 0 GEADRO COc1cc(CNC(=O)NCC[C@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000417364765 648240936 /nfs/dbraw/zinc/24/09/36/648240936.db2.gz FIJLGSAWLVRLOD-GFCCVEGCSA-N 1 0 386.290 2.408 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)cc(Br)c1OC ZINC000417379057 648242403 /nfs/dbraw/zinc/24/24/03/648242403.db2.gz RZQUGKQIQKGFCM-MRXNPFEDSA-N 1 0 386.290 2.347 20 0 GEADRO O=C(NCc1cc(Br)ccc1OC(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417405589 648243073 /nfs/dbraw/zinc/24/30/73/648243073.db2.gz IUHNABDFPOCZQB-PHIMTYICSA-N 1 0 390.228 2.411 20 0 GEADRO CC(C)(CNC(=O)NCCCN1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000417417279 648243836 /nfs/dbraw/zinc/24/38/36/648243836.db2.gz AKFRBTWEHBXREH-UHFFFAOYSA-N 1 0 397.361 2.321 20 0 GEADRO [NH3+]C1(CNC(=O)NCCc2ccc(I)s2)CCC1 ZINC000417436572 648245558 /nfs/dbraw/zinc/24/55/58/648245558.db2.gz FGNHXCVHLBOWPY-UHFFFAOYSA-N 1 0 379.267 2.076 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCc2ccc(I)s2)C1 ZINC000417437610 648245980 /nfs/dbraw/zinc/24/59/80/648245980.db2.gz HRTARXHHOVLDMD-UWVGGRQHSA-N 1 0 393.294 2.464 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCc1ccc(I)s1 ZINC000417442037 648246794 /nfs/dbraw/zinc/24/67/94/648246794.db2.gz SGLWXFZIMXTDHD-WPRPVWTQSA-N 1 0 379.267 2.026 20 0 GEADRO COc1cc(Br)c(CNC(=O)NCCC[NH2+]C2CC2)cc1OC ZINC000417448681 648246822 /nfs/dbraw/zinc/24/68/22/648246822.db2.gz VWHDIRUOHUNOAB-UHFFFAOYSA-N 1 0 386.290 2.408 20 0 GEADRO O=C(N[C@H]1CCc2c1cccc2Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417449463 648247352 /nfs/dbraw/zinc/24/73/52/648247352.db2.gz BNSPXPMRQTXTSX-DYVFJYSZSA-N 1 0 393.329 2.126 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417476119 648247608 /nfs/dbraw/zinc/24/76/08/648247608.db2.gz CNPKAHNAGTUEFG-IIAWOOMASA-N 1 0 393.329 2.279 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417478014 648248241 /nfs/dbraw/zinc/24/82/41/648248241.db2.gz HQSAKVSJHHBPAU-GDBMZVCRSA-N 1 0 381.318 2.421 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417480895 648248623 /nfs/dbraw/zinc/24/86/23/648248623.db2.gz NCSNRDMPQZMXNV-YSVLISHTSA-N 1 0 393.329 2.421 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC000417595882 648254632 /nfs/dbraw/zinc/25/46/32/648254632.db2.gz OTYRRINIDIYCRS-CYBMUJFWSA-N 1 0 388.331 2.304 20 0 GEADRO CC1(NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[NH2+]CC1 ZINC000417598849 648255146 /nfs/dbraw/zinc/25/51/46/648255146.db2.gz GPPCSCKWSSETNS-ZDUSSCGKSA-N 1 0 381.318 2.469 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CC2)CCCO1 ZINC000417658479 648257508 /nfs/dbraw/zinc/25/75/08/648257508.db2.gz JGZOZWVOOGFYOR-OAHLLOKOSA-N 1 0 382.302 2.240 20 0 GEADRO O=C(NCCCc1ccc(Br)cc1F)NC[C@@H]1C[NH2+]CCCO1 ZINC000417683903 648258086 /nfs/dbraw/zinc/25/80/86/648258086.db2.gz VPORWEHKMQNTNV-AWEZNQCLSA-N 1 0 388.281 2.199 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417718256 648258497 /nfs/dbraw/zinc/25/84/97/648258497.db2.gz BONWYTBSPNDGSH-CYBMUJFWSA-N 1 0 393.289 2.257 20 0 GEADRO COCC[NH+]1CCN(Cc2ccc(F)cc2I)CC1 ZINC000417717110 648258581 /nfs/dbraw/zinc/25/85/81/648258581.db2.gz GJMLDACYBXEAAA-UHFFFAOYSA-N 1 0 378.229 2.194 20 0 GEADRO CC[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)Cc1cccc(Br)c1 ZINC000417724378 648259170 /nfs/dbraw/zinc/25/91/70/648259170.db2.gz NRXKZWAQMVKTRP-CZUORRHYSA-N 1 0 384.318 2.305 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417720070 648259247 /nfs/dbraw/zinc/25/92/47/648259247.db2.gz DJCMGNYJSWPMPY-GWCFXTLKSA-N 1 0 393.289 2.031 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417729658 648259845 /nfs/dbraw/zinc/25/98/45/648259845.db2.gz NELJFXXZMOQAOA-JQWIXIFHSA-N 1 0 393.289 2.113 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417732148 648260316 /nfs/dbraw/zinc/26/03/16/648260316.db2.gz PJLZLGDHHITOGT-LBPRGKRZSA-N 1 0 381.278 2.017 20 0 GEADRO C[C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Cc1cccs1 ZINC000417758489 648261308 /nfs/dbraw/zinc/26/13/08/648261308.db2.gz VBTBLSHKRNZKRN-GXTWGEPZSA-N 1 0 378.464 2.062 20 0 GEADRO C[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)Oc1ccc(Br)cc1 ZINC000417777113 648262024 /nfs/dbraw/zinc/26/20/24/648262024.db2.gz QVUPRYGHFKTXMS-CABZTGNLSA-N 1 0 380.233 2.498 20 0 GEADRO CCS[C@@H]1CCC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417824712 648263125 /nfs/dbraw/zinc/26/31/25/648263125.db2.gz KXPVWFWQIAFKJA-MJBXVCDLSA-N 1 0 382.496 2.186 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000417881379 648264120 /nfs/dbraw/zinc/26/41/20/648264120.db2.gz UAXVAWZDXIPKBJ-GHMZBOCLSA-N 1 0 377.798 2.075 20 0 GEADRO C[NH2+]CCCNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417896558 648264932 /nfs/dbraw/zinc/26/49/32/648264932.db2.gz PMIOLNHDTXRIMT-JTQLQIEISA-N 1 0 382.262 2.469 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417899398 648265530 /nfs/dbraw/zinc/26/55/30/648265530.db2.gz SYERYIUSTDLNNG-HOCLYGCPSA-N 1 0 395.345 2.069 20 0 GEADRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(F)cc1I ZINC000417942297 648266590 /nfs/dbraw/zinc/26/65/90/648266590.db2.gz ZWODLIXKWIXBOX-VIFPVBQESA-N 1 0 385.242 2.343 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(F)cc1I)C1CCOCC1 ZINC000417924767 648266690 /nfs/dbraw/zinc/26/66/90/648266690.db2.gz IUUATIBFHXLZGG-AWEZNQCLSA-N 1 0 379.213 2.307 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417945781 648267135 /nfs/dbraw/zinc/26/71/35/648267135.db2.gz DNYLEWADZPRWSV-IINYFYTJSA-N 1 0 376.810 2.354 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1C(F)(F)F)NCC1C[NH2+]C1 ZINC000417951367 648267183 /nfs/dbraw/zinc/26/71/83/648267183.db2.gz LJLRIPLJCUOMHB-UHFFFAOYSA-N 1 0 396.207 2.365 20 0 GEADRO CCn1cncc1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417965487 648267701 /nfs/dbraw/zinc/26/77/01/648267701.db2.gz ROWQVMQKSASOJP-UHFFFAOYSA-N 1 0 382.555 2.471 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000417988972 648268067 /nfs/dbraw/zinc/26/80/67/648268067.db2.gz KVKQRQACAKFYEG-RWSFTLGLSA-N 1 0 385.295 2.477 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418000844 648268683 /nfs/dbraw/zinc/26/86/83/648268683.db2.gz KIKFOGQHKKJMKZ-KMUNFCNLSA-N 1 0 385.295 2.396 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418012952 648269552 /nfs/dbraw/zinc/26/95/52/648269552.db2.gz WGVCVLMNUQIQBA-IINYFYTJSA-N 1 0 376.810 2.354 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CCCC[C@H]3C[NH3+])nc12 ZINC000418026081 648271716 /nfs/dbraw/zinc/27/17/16/648271716.db2.gz VSABRGJYYROGEP-HNNXBMFYSA-N 1 0 394.317 2.471 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(F)cc2I)[C@H](C)C1 ZINC000418036911 648272752 /nfs/dbraw/zinc/27/27/52/648272752.db2.gz WXPASIOMPZTKAX-VXGBXAGGSA-N 1 0 392.256 2.317 20 0 GEADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000418046919 648273208 /nfs/dbraw/zinc/27/32/08/648273208.db2.gz PSXSDSLSGREHOR-AWEZNQCLSA-N 1 0 376.213 2.388 20 0 GEADRO CC(C)[C@H](CC(F)(F)F)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418052979 648273827 /nfs/dbraw/zinc/27/38/27/648273827.db2.gz XZTPNBMTLXLQCK-WDEREUQCSA-N 1 0 378.361 2.099 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000418072240 648274914 /nfs/dbraw/zinc/27/49/14/648274914.db2.gz URKNMESIOCLMCK-JTQLQIEISA-N 1 0 397.253 2.345 20 0 GEADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000418070219 648275144 /nfs/dbraw/zinc/27/51/44/648275144.db2.gz QUYJGVSIONENLL-HNNXBMFYSA-N 1 0 381.523 2.213 20 0 GEADRO CN(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C1CC[NH2+]CC1 ZINC000418077978 648275565 /nfs/dbraw/zinc/27/55/65/648275565.db2.gz IXHJMXQPLLIYGR-AWEZNQCLSA-N 1 0 385.295 2.492 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418074837 648275575 /nfs/dbraw/zinc/27/55/75/648275575.db2.gz DHEIDDUIIGDFCW-BXUZGUMPSA-N 1 0 385.295 2.479 20 0 GEADRO C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]1 ZINC000418078802 648276063 /nfs/dbraw/zinc/27/60/63/648276063.db2.gz JWZZQAYHZIWLMM-SMDDNHRTSA-N 1 0 385.295 2.492 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCCO1 ZINC000418084804 648276845 /nfs/dbraw/zinc/27/68/45/648276845.db2.gz WKCDUUNSACQSHJ-KGLIPLIRSA-N 1 0 387.311 2.331 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C[NH2+]1 ZINC000418089205 648277775 /nfs/dbraw/zinc/27/77/75/648277775.db2.gz BGRIWHUPGFQAIL-NFAWXSAZSA-N 1 0 381.318 2.420 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418095485 648279055 /nfs/dbraw/zinc/27/90/55/648279055.db2.gz JFMTWPFKZQHCRB-IJEWVQPXSA-N 1 0 393.329 2.279 20 0 GEADRO COc1cc(Br)c(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1OC ZINC000418107577 648281066 /nfs/dbraw/zinc/28/10/66/648281066.db2.gz FBQPBYQGVFKODI-STQMWFEESA-N 1 0 387.318 2.353 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418114107 648281415 /nfs/dbraw/zinc/28/14/15/648281415.db2.gz KTRCGNCMHNEGFX-BXUZGUMPSA-N 1 0 387.265 2.355 20 0 GEADRO CC(C)([NH3+])CNC(=O)NCc1ccc(I)cc1Cl ZINC000418116798 648281877 /nfs/dbraw/zinc/28/18/77/648281877.db2.gz BLCZTYMWZGIEQD-UHFFFAOYSA-N 1 0 381.645 2.481 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418117038 648281958 /nfs/dbraw/zinc/28/19/58/648281958.db2.gz SFWQYXQIQRRQGC-BXUZGUMPSA-N 1 0 387.265 2.273 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(I)cc1Cl ZINC000418124076 648282962 /nfs/dbraw/zinc/28/29/62/648282962.db2.gz LSEUPIDUEGQQJV-QMMMGPOBSA-N 1 0 381.645 2.481 20 0 GEADRO CO[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000418122442 648282973 /nfs/dbraw/zinc/28/29/73/648282973.db2.gz JYJHLJQCMBUHSI-TWJWRFFLSA-N 1 0 382.302 2.453 20 0 GEADRO CCn1nncc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC ZINC000418122717 648282982 /nfs/dbraw/zinc/28/29/82/648282982.db2.gz YEKZGKIQTDRENI-GFCCVEGCSA-N 1 0 383.290 2.010 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000418126638 648283473 /nfs/dbraw/zinc/28/34/73/648283473.db2.gz MEXJWOAXAPHPSI-JHJVBQTASA-N 1 0 399.358 2.056 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)[C@H](C[NH3+])C1 ZINC000418146698 648285048 /nfs/dbraw/zinc/28/50/48/648285048.db2.gz ABRQYESGIWZRBH-YWPYICTPSA-N 1 0 398.301 2.420 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000418160862 648285952 /nfs/dbraw/zinc/28/59/52/648285952.db2.gz PGRAKHDHHQADBB-VIFPVBQESA-N 1 0 379.629 2.187 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418230475 648288494 /nfs/dbraw/zinc/28/84/94/648288494.db2.gz JHVOTUBAJOULMX-AWEZNQCLSA-N 1 0 375.922 2.176 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)NCc1c(Br)cncc1Br ZINC000418231398 648288891 /nfs/dbraw/zinc/28/88/91/648288891.db2.gz BNHMSZPXFQNRNO-ZETCQYMHSA-N 1 0 380.084 2.143 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)NCc1c(Br)cncc1Br ZINC000418234243 648289242 /nfs/dbraw/zinc/28/92/42/648289242.db2.gz IKNZMSYGHMGDAZ-MRVPVSSYSA-N 1 0 392.095 2.239 20 0 GEADRO [NH3+]CCCCNC(=O)NCc1c(Br)cncc1Br ZINC000418235329 648289298 /nfs/dbraw/zinc/28/92/98/648289298.db2.gz KQIXFNGJKJYMOG-UHFFFAOYSA-N 1 0 380.084 2.145 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)NCc1c(Br)cncc1Br ZINC000418240326 648289845 /nfs/dbraw/zinc/28/98/45/648289845.db2.gz RHTODIWDFBBBHJ-ZETCQYMHSA-N 1 0 380.084 2.143 20 0 GEADRO C[C@@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@H]1C[NH3+] ZINC000418255771 648290130 /nfs/dbraw/zinc/29/01/30/648290130.db2.gz BHMZVKSYNDEDNN-GHMZBOCLSA-N 1 0 380.290 2.452 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCc1nc2c(cccc2Br)[nH]1)C(F)F ZINC000418265562 648290302 /nfs/dbraw/zinc/29/03/02/648290302.db2.gz LVHNTGOZSWPUDM-VIFPVBQESA-N 1 0 376.205 2.107 20 0 GEADRO CSCC1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418274317 648290802 /nfs/dbraw/zinc/29/08/02/648290802.db2.gz SQQNBEZDWMEZRW-JXQTWKCFSA-N 1 0 382.496 2.044 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000418307696 648292393 /nfs/dbraw/zinc/29/23/93/648292393.db2.gz ARFNWZLNQLKONY-NWDGAFQWSA-N 1 0 376.284 2.032 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418314800 648292499 /nfs/dbraw/zinc/29/24/99/648292499.db2.gz JQSUQGYZUVBQKR-CABCVRRESA-N 1 0 398.345 2.207 20 0 GEADRO C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000418354977 648294169 /nfs/dbraw/zinc/29/41/69/648294169.db2.gz WVIUADKVOODBRD-BPUTZDHNSA-N 1 0 398.345 2.287 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)N(CCO)Cc1cc(Br)cs1 ZINC000418355793 648294475 /nfs/dbraw/zinc/29/44/75/648294475.db2.gz XJWDKHABXPUREV-GFCCVEGCSA-N 1 0 390.347 2.404 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000418391072 648296040 /nfs/dbraw/zinc/29/60/40/648296040.db2.gz PIPDMSXIZKKDNM-WFASDCNBSA-N 1 0 386.334 2.063 20 0 GEADRO [NH3+]C1CCC(NC(=O)NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000418391898 648296044 /nfs/dbraw/zinc/29/60/44/648296044.db2.gz VUNFEDXOHJWDAV-LRVUVFPRSA-N 1 0 384.318 2.169 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000418400355 648296433 /nfs/dbraw/zinc/29/64/33/648296433.db2.gz XUTRFEWAZVYRDG-LBPRGKRZSA-N 1 0 387.311 2.316 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418396659 648296602 /nfs/dbraw/zinc/29/66/02/648296602.db2.gz CULHTKDFHXUYPI-AWEZNQCLSA-N 1 0 398.305 2.434 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000418404476 648297091 /nfs/dbraw/zinc/29/70/91/648297091.db2.gz CLPUNGKESKZALE-SMDDNHRTSA-N 1 0 383.290 2.204 20 0 GEADRO CCC[NH2+]CCNC(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000418492014 648298145 /nfs/dbraw/zinc/29/81/45/648298145.db2.gz UJZJXGZWXFODQR-HNNXBMFYSA-N 1 0 388.306 2.132 20 0 GEADRO COCC[NH2+]CCNC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418505688 648299251 /nfs/dbraw/zinc/29/92/51/648299251.db2.gz FYWVMBMYEHLWOJ-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NCCCC[NH3+] ZINC000418515095 648299690 /nfs/dbraw/zinc/29/96/90/648299690.db2.gz VKOLCCKDYLXKJR-UHFFFAOYSA-N 1 0 375.300 2.380 20 0 GEADRO CC1(CNC(=O)N(CCO)Cc2ccc(Br)s2)CC[NH2+]CC1 ZINC000418523620 648300114 /nfs/dbraw/zinc/30/01/14/648300114.db2.gz VAVHCNUOOYDOKL-UHFFFAOYSA-N 1 0 390.347 2.404 20 0 GEADRO C[C@@]1(CNC(=O)N(CCO)Cc2cc(Br)cs2)CCC[NH2+]C1 ZINC000418536765 648300442 /nfs/dbraw/zinc/30/04/42/648300442.db2.gz IZYNKZOPLJZTKA-OAHLLOKOSA-N 1 0 390.347 2.404 20 0 GEADRO C[C@@]1(CNC(=O)NC[C@@H](CO)Cc2ccccc2Br)CCC[NH2+]C1 ZINC000418541644 648300932 /nfs/dbraw/zinc/30/09/32/648300932.db2.gz NYDFODAJNHCIPP-KBXCAEBGSA-N 1 0 398.345 2.289 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H](CO)Cc1ccccc1Br ZINC000418543748 648300999 /nfs/dbraw/zinc/30/09/99/648300999.db2.gz BTLFWCJMRXCSGE-UKRRQHHQSA-N 1 0 384.318 2.041 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418574716 648302327 /nfs/dbraw/zinc/30/23/27/648302327.db2.gz GLEMBLVYMNYDLQ-GRYCIOLGSA-N 1 0 376.284 2.302 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418593268 648303557 /nfs/dbraw/zinc/30/35/57/648303557.db2.gz DUBMLWWWLJAQJQ-DUVNUKRYSA-N 1 0 398.345 2.348 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418594997 648303982 /nfs/dbraw/zinc/30/39/82/648303982.db2.gz NTMIQOZNBOYFQA-CJNGLKHVSA-N 1 0 381.318 2.279 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br ZINC000418600353 648304268 /nfs/dbraw/zinc/30/42/68/648304268.db2.gz JLXRAAGCMCISIM-IAQYHMDHSA-N 1 0 388.306 2.131 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418606339 648304299 /nfs/dbraw/zinc/30/42/99/648304299.db2.gz VMAIYWMVVUGVAD-SNVBAGLBSA-N 1 0 382.262 2.296 20 0 GEADRO CCS[C@H]1CCCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418610691 648304801 /nfs/dbraw/zinc/30/48/01/648304801.db2.gz GWPKIOHEBIJEOO-KBPBESRZSA-N 1 0 382.496 2.140 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000418612091 648304881 /nfs/dbraw/zinc/30/48/81/648304881.db2.gz FAQPOAGMKRFEJH-YOEHRIQHSA-N 1 0 395.345 2.417 20 0 GEADRO CN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418618850 648305283 /nfs/dbraw/zinc/30/52/83/648305283.db2.gz PBBVEQOWHKUQJA-CQSZACIVSA-N 1 0 378.826 2.318 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](CO)Cc1ccccc1Br)C1CCCC1 ZINC000418627127 648305510 /nfs/dbraw/zinc/30/55/10/648305510.db2.gz TZHGLYRFMJVKEG-SUMWQHHRSA-N 1 0 398.345 2.417 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000418757596 648309539 /nfs/dbraw/zinc/30/95/39/648309539.db2.gz HPSHNBUXCOWKRK-JKSUJKDBSA-N 1 0 381.318 2.199 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000418757595 648309645 /nfs/dbraw/zinc/30/96/45/648309645.db2.gz HPSHNBUXCOWKRK-HZPDHXFCSA-N 1 0 381.318 2.199 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000418757947 648309675 /nfs/dbraw/zinc/30/96/75/648309675.db2.gz GOEDUHTVLYTMOH-WBMJQRKESA-N 1 0 377.897 2.427 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000418764125 648310418 /nfs/dbraw/zinc/31/04/18/648310418.db2.gz NVPQABYXPJLKQQ-CQSZACIVSA-N 1 0 376.810 2.308 20 0 GEADRO [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NCCc1ccc(Cl)s1 ZINC000418765085 648310535 /nfs/dbraw/zinc/31/05/35/648310535.db2.gz OZUXNDDXIKQOCI-UHFFFAOYSA-N 1 0 379.913 2.438 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000418770833 648311323 /nfs/dbraw/zinc/31/13/23/648311323.db2.gz VCLQFFJUWLDWMQ-QGZVFWFLSA-N 1 0 395.345 2.242 20 0 GEADRO CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000418768916 648311411 /nfs/dbraw/zinc/31/14/11/648311411.db2.gz NAPXCBJISIJRHH-DZGCQCFKSA-N 1 0 385.917 2.342 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418775017 648311909 /nfs/dbraw/zinc/31/19/09/648311909.db2.gz RVOCEDUHXNBFHF-NVXWUHKLSA-N 1 0 398.345 2.432 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000418775577 648312086 /nfs/dbraw/zinc/31/20/86/648312086.db2.gz ZXUSLZZMMNRWJR-HNNXBMFYSA-N 1 0 395.345 2.242 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418779523 648312174 /nfs/dbraw/zinc/31/21/74/648312174.db2.gz XKMYQSDJXPKMHG-WBVHZDCISA-N 1 0 398.345 2.432 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000418779316 648312265 /nfs/dbraw/zinc/31/22/65/648312265.db2.gz BAGXYSGJWYEARB-VNHYZAJKSA-N 1 0 384.318 2.027 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000418811625 648313618 /nfs/dbraw/zinc/31/36/18/648313618.db2.gz ANTKLWZVKUHSCJ-PSHZPRKYSA-N 1 0 384.307 2.470 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCC[NH2+]C1 ZINC000418816038 648313894 /nfs/dbraw/zinc/31/38/94/648313894.db2.gz KFLKDVPIXFUUCD-WBHUJUFNSA-N 1 0 384.307 2.471 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418823822 648314725 /nfs/dbraw/zinc/31/47/25/648314725.db2.gz YNWHDFPVKPEXNG-DETPVDSQSA-N 1 0 384.307 2.471 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418839861 648316225 /nfs/dbraw/zinc/31/62/25/648316225.db2.gz DFIAAXYHYBTCME-UONOGXRCSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000418844066 648316713 /nfs/dbraw/zinc/31/67/13/648316713.db2.gz LFAIQZQWZLSXOU-XJKCOSOUSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418843738 648316719 /nfs/dbraw/zinc/31/67/19/648316719.db2.gz KMROVVBWUPJRKI-ZIAGYGMSSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418855003 648318232 /nfs/dbraw/zinc/31/82/32/648318232.db2.gz UIZFOWHAUCLDKW-UWVGGRQHSA-N 1 0 376.259 2.426 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000418867921 648320002 /nfs/dbraw/zinc/32/00/02/648320002.db2.gz PZPCOWWSPDXZBB-WXYCVUISSA-N 1 0 394.313 2.212 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000418869145 648320022 /nfs/dbraw/zinc/32/00/22/648320022.db2.gz RMKVBYSTOCVAPY-UXIGCNINSA-N 1 0 382.302 2.260 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C[C@@H]1[NH3+] ZINC000418933520 648322521 /nfs/dbraw/zinc/32/25/21/648322521.db2.gz IJDZSQPKSGKSMD-RLCCDNCMSA-N 1 0 394.313 2.212 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)c1cc(Cl)ccc1Cl ZINC000418947547 648324135 /nfs/dbraw/zinc/32/41/35/648324135.db2.gz BAXWUVHKADOUFG-PKFCDNJMSA-N 1 0 388.295 2.400 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000418947553 648324158 /nfs/dbraw/zinc/32/41/58/648324158.db2.gz BAXWUVHKADOUFG-RULNRJAQSA-N 1 0 388.295 2.400 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418949016 648324345 /nfs/dbraw/zinc/32/43/45/648324345.db2.gz UNMLRVABYGTDHM-ZFWWWQNUSA-N 1 0 382.302 2.042 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418949146 648324522 /nfs/dbraw/zinc/32/45/22/648324522.db2.gz RDSWBMIRXSQUCJ-IAQYHMDHSA-N 1 0 382.302 2.118 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418953372 648324914 /nfs/dbraw/zinc/32/49/14/648324914.db2.gz ZXVTZDZFOMCGGO-BLLLJJGKSA-N 1 0 394.313 2.011 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418954734 648325160 /nfs/dbraw/zinc/32/51/60/648325160.db2.gz XNOZYJMBRYLTCR-BLLLJJGKSA-N 1 0 396.329 2.378 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000418954573 648325274 /nfs/dbraw/zinc/32/52/74/648325274.db2.gz OIRAGWRFMUSCCM-CYZMBNFOSA-N 1 0 388.295 2.135 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418953521 648325316 /nfs/dbraw/zinc/32/53/16/648325316.db2.gz WJIVBLMFOQLQFO-CVEARBPZSA-N 1 0 394.313 2.275 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419019076 648327598 /nfs/dbraw/zinc/32/75/98/648327598.db2.gz IVVRUUXXBQUKJE-MJBXVCDLSA-N 1 0 396.329 2.095 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419019073 648327703 /nfs/dbraw/zinc/32/77/03/648327703.db2.gz IVVRUUXXBQUKJE-BFHYXJOUSA-N 1 0 396.329 2.095 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419024114 648328287 /nfs/dbraw/zinc/32/82/87/648328287.db2.gz QCJCVOMTGHPCOG-CJNGLKHVSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419023680 648328352 /nfs/dbraw/zinc/32/83/52/648328352.db2.gz OZLLSLCBYLLZMR-RDBSUJKOSA-N 1 0 396.329 2.095 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419035497 648329042 /nfs/dbraw/zinc/32/90/42/648329042.db2.gz AAQNLQVZBRZPSZ-GFCCVEGCSA-N 1 0 377.819 2.191 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419041590 648329383 /nfs/dbraw/zinc/32/93/83/648329383.db2.gz NTBGGFDTDGZELJ-GOSISDBHSA-N 1 0 384.307 2.397 20 0 GEADRO Cc1sc(CNC(=O)C(=O)NCC(C)(C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000419047599 648330068 /nfs/dbraw/zinc/33/00/68/648330068.db2.gz SVFHBZMDLOAHKI-UHFFFAOYSA-N 1 0 380.901 2.242 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419053760 648330658 /nfs/dbraw/zinc/33/06/58/648330658.db2.gz KQQISBKHOUKWIW-UMVBOHGHSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000419053448 648330678 /nfs/dbraw/zinc/33/06/78/648330678.db2.gz JZGCLOCFQHGAFY-LZWOXQAQSA-N 1 0 396.329 2.130 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000419054927 648330721 /nfs/dbraw/zinc/33/07/21/648330721.db2.gz NBLWOLHCQHVRRY-DZGCQCFKSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419056321 648331151 /nfs/dbraw/zinc/33/11/51/648331151.db2.gz QOTHTTYFEQYDGS-LSDHHAIUSA-N 1 0 396.329 2.097 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419055188 648331223 /nfs/dbraw/zinc/33/12/23/648331223.db2.gz NMUFRBFHBMPNIW-NSHDSACASA-N 1 0 390.709 2.352 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccccc2Br)C1 ZINC000419056306 648331228 /nfs/dbraw/zinc/33/12/28/648331228.db2.gz QKBARKHLGYTAPI-NFAWXSAZSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419057761 648331458 /nfs/dbraw/zinc/33/14/58/648331458.db2.gz VGDUDILJCSUHJZ-VHDGCEQUSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419068353 648332592 /nfs/dbraw/zinc/33/25/92/648332592.db2.gz SSPMVNOBEYPIOS-XNRPHZJLSA-N 1 0 396.329 2.001 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCSCc2ccc(Cl)cc2Cl)C1 ZINC000419102140 648334069 /nfs/dbraw/zinc/33/40/69/648334069.db2.gz YFLRGENVJMLIKG-CYBMUJFWSA-N 1 0 390.336 2.163 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)C1CC1 ZINC000419127833 648335843 /nfs/dbraw/zinc/33/58/43/648335843.db2.gz STBNUBKJJXKJHL-HOTGVXAUSA-N 1 0 377.897 2.461 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419133906 648336179 /nfs/dbraw/zinc/33/61/79/648336179.db2.gz JCISVMKLHAVLTK-QWHCGFSZSA-N 1 0 388.295 2.265 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000419154971 648337558 /nfs/dbraw/zinc/33/75/58/648337558.db2.gz RBXJSGRRNDKPQJ-CYBMUJFWSA-N 1 0 384.307 2.400 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419154038 648337617 /nfs/dbraw/zinc/33/76/17/648337617.db2.gz QROMVHIWLDVLJC-WOSRLPQWSA-N 1 0 384.307 2.156 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000419152529 648337655 /nfs/dbraw/zinc/33/76/55/648337655.db2.gz OLVCSDODHCIGFP-SCRDCRAPSA-N 1 0 382.302 2.131 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000419158393 648338338 /nfs/dbraw/zinc/33/83/38/648338338.db2.gz XNIJUQBQHVRSGJ-WFASDCNBSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000419159872 648338493 /nfs/dbraw/zinc/33/84/93/648338493.db2.gz ZWZKOZRSBLSJJU-MBNYWOFBSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1Br ZINC000419163088 648338702 /nfs/dbraw/zinc/33/87/02/648338702.db2.gz IYZXPOOOOWCZGI-GXTWGEPZSA-N 1 0 382.302 2.102 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419168611 648338782 /nfs/dbraw/zinc/33/87/82/648338782.db2.gz SRGVACNDOPJGIL-IUODEOHRSA-N 1 0 382.302 2.102 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000419176570 648339322 /nfs/dbraw/zinc/33/93/22/648339322.db2.gz RBWNGTXWLYZIJY-UHFFFAOYSA-N 1 0 384.307 2.481 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000419220231 648342140 /nfs/dbraw/zinc/34/21/40/648342140.db2.gz UFVNYGSZODYANY-SWLSCSKDSA-N 1 0 381.929 2.451 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000419248696 648342716 /nfs/dbraw/zinc/34/27/16/648342716.db2.gz YDKFUJJVKLQBCE-HNNXBMFYSA-N 1 0 381.929 2.451 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419275994 648343755 /nfs/dbraw/zinc/34/37/55/648343755.db2.gz DGPPYPVLVFYLKM-XIKOKIGWSA-N 1 0 384.307 2.395 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000419278531 648343850 /nfs/dbraw/zinc/34/38/50/648343850.db2.gz HSQDACLGFLHXFX-OLZOCXBDSA-N 1 0 386.323 2.499 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419299670 648345547 /nfs/dbraw/zinc/34/55/47/648345547.db2.gz KHWTYKVCAOACPO-KBPBESRZSA-N 1 0 396.329 2.268 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419304286 648346075 /nfs/dbraw/zinc/34/60/75/648346075.db2.gz ULNUQSZNFUZXCT-GASCZTMLSA-N 1 0 394.313 2.035 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000419303480 648346150 /nfs/dbraw/zinc/34/61/50/648346150.db2.gz RZPVBLITUUFSES-CYBMUJFWSA-N 1 0 396.329 2.268 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2c(C)cc(Br)cc2C)C1 ZINC000419300250 648346164 /nfs/dbraw/zinc/34/61/64/648346164.db2.gz LMWHCRAWMJPVQL-CQSZACIVSA-N 1 0 396.329 2.140 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419328725 648347531 /nfs/dbraw/zinc/34/75/31/648347531.db2.gz DXEIQKQAAHWDJX-ZIAGYGMSSA-N 1 0 384.318 2.083 20 0 GEADRO CC[C@H](CNC(=O)C(=O)N(C)CCC[NH2+]C)Cc1cccc(Br)c1 ZINC000419369288 648350556 /nfs/dbraw/zinc/35/05/56/648350556.db2.gz ZBUGCNDHMLFNDO-AWEZNQCLSA-N 1 0 398.345 2.202 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1ccc(Br)s1 ZINC000419424150 648351324 /nfs/dbraw/zinc/35/13/24/648351324.db2.gz CJJDJDNJDDEMLZ-GHMZBOCLSA-N 1 0 376.320 2.107 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419464410 648353335 /nfs/dbraw/zinc/35/33/35/648353335.db2.gz RCADUCUPJQZOLC-ZDUSSCGKSA-N 1 0 396.329 2.231 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000419515651 648355412 /nfs/dbraw/zinc/35/54/12/648355412.db2.gz FVLWQEZHJGGLLP-MGBSGCIJSA-N 1 0 396.329 2.402 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000419515654 648355735 /nfs/dbraw/zinc/35/57/35/648355735.db2.gz FVLWQEZHJGGLLP-UWWPHRKUSA-N 1 0 396.329 2.402 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419521580 648356057 /nfs/dbraw/zinc/35/60/57/648356057.db2.gz KLGHFMOAIQRAGP-HNNXBMFYSA-N 1 0 396.329 2.053 20 0 GEADRO CN(CC[NH3+])C(=O)C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000419620871 648358356 /nfs/dbraw/zinc/35/83/56/648358356.db2.gz BTLCKULJZNTPMI-CYBMUJFWSA-N 1 0 377.794 2.343 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCCOC1 ZINC000419673110 648362379 /nfs/dbraw/zinc/36/23/79/648362379.db2.gz BLABRPWKFRRFTL-ZYHUDNBSSA-N 1 0 377.304 2.001 20 0 GEADRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000419685619 648364480 /nfs/dbraw/zinc/36/44/80/648364480.db2.gz NAJJEOVYYUGSLD-VXGBXAGGSA-N 1 0 391.331 2.391 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)n1C ZINC000419699284 648366435 /nfs/dbraw/zinc/36/64/35/648366435.db2.gz WASIDNGUSJPBID-CQSZACIVSA-N 1 0 381.318 2.189 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1)c1ccc(Br)s1 ZINC000419702986 648367352 /nfs/dbraw/zinc/36/73/52/648367352.db2.gz FQXKREWACZFKPA-MNOVXSKESA-N 1 0 388.331 2.288 20 0 GEADRO C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1ccc(Br)s1 ZINC000419703557 648367492 /nfs/dbraw/zinc/36/74/92/648367492.db2.gz GCPMZCLCMBFSOC-VIFPVBQESA-N 1 0 376.320 2.131 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419704948 648367746 /nfs/dbraw/zinc/36/77/46/648367746.db2.gz IEKHLUQEGVEVCW-VIFPVBQESA-N 1 0 376.320 2.322 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1Cl ZINC000419707483 648368319 /nfs/dbraw/zinc/36/83/19/648368319.db2.gz LYDOXADKXXGRGP-CRAIPNDOSA-N 1 0 380.897 2.243 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1ccc(Br)s1 ZINC000419706030 648368342 /nfs/dbraw/zinc/36/83/42/648368342.db2.gz JPKYAZCQOGKLPA-SNVBAGLBSA-N 1 0 386.315 2.114 20 0 GEADRO Cc1cccnc1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419716618 648370926 /nfs/dbraw/zinc/37/09/26/648370926.db2.gz YNHODAWPTUVKGD-UHFFFAOYSA-N 1 0 384.299 2.132 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000419721156 648371123 /nfs/dbraw/zinc/37/11/23/648371123.db2.gz YXYZDELAQGMEJA-JTQLQIEISA-N 1 0 388.331 2.146 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419747930 648374203 /nfs/dbraw/zinc/37/42/03/648374203.db2.gz NUYRNNDNFBMSBB-MLGOLLRUSA-N 1 0 396.329 2.130 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCC1 ZINC000419754119 648375270 /nfs/dbraw/zinc/37/52/70/648375270.db2.gz BGXRADFEPWKRQS-UHFFFAOYSA-N 1 0 396.221 2.209 20 0 GEADRO CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)c1cc(F)cc(Br)c1 ZINC000419768797 648376626 /nfs/dbraw/zinc/37/66/26/648376626.db2.gz CHEAIMLFKBJSDE-HZMBPMFUSA-N 1 0 388.281 2.127 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000419769488 648376846 /nfs/dbraw/zinc/37/68/46/648376846.db2.gz CRFPXUPMILOQGQ-HUUCEWRRSA-N 1 0 398.276 2.009 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1cc(F)cc(Br)c1 ZINC000419773421 648377346 /nfs/dbraw/zinc/37/73/46/648377346.db2.gz HGCPOZLWODUYCW-ZIAGYGMSSA-N 1 0 386.265 2.105 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000419785509 648378511 /nfs/dbraw/zinc/37/85/11/648378511.db2.gz WNLNHWZVVCJGFX-GJZGRUSLSA-N 1 0 398.276 2.009 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419797358 648379653 /nfs/dbraw/zinc/37/96/53/648379653.db2.gz RWYKQGPFSLZAII-KCQAQPDRSA-N 1 0 384.307 2.156 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419799044 648379698 /nfs/dbraw/zinc/37/96/98/648379698.db2.gz BOYLQJDZOSMQCA-UHFFFAOYSA-N 1 0 382.302 2.185 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000419805931 648380604 /nfs/dbraw/zinc/38/06/04/648380604.db2.gz FCUZITWVQFWGIN-UMVBOHGHSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419818132 648381812 /nfs/dbraw/zinc/38/18/12/648381812.db2.gz LEKCJDWRKXBKRM-ACJLOTCBSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@H](C)C[NH2+]1 ZINC000419819031 648381968 /nfs/dbraw/zinc/38/19/68/648381968.db2.gz MXDUKEYVXVWZEP-CHWSQXEVSA-N 1 0 396.329 2.052 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419837322 648384067 /nfs/dbraw/zinc/38/40/67/648384067.db2.gz ZNZMUBLLNVLFNM-UHFFFAOYSA-N 1 0 382.302 2.010 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419841660 648384255 /nfs/dbraw/zinc/38/42/55/648384255.db2.gz KNOYDVJSNLEFRA-MRXNPFEDSA-N 1 0 394.313 2.056 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419844201 648384908 /nfs/dbraw/zinc/38/49/08/648384908.db2.gz LBGCOYUKDJDDSI-GFCCVEGCSA-N 1 0 382.302 2.227 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419848987 648385443 /nfs/dbraw/zinc/38/54/43/648385443.db2.gz XKNAVRVOFONKMX-HNNXBMFYSA-N 1 0 382.302 2.054 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1)C1CC1 ZINC000419853768 648385961 /nfs/dbraw/zinc/38/59/61/648385961.db2.gz BACLSHGWQNJKRW-MRXNPFEDSA-N 1 0 394.313 2.041 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000419890234 648386873 /nfs/dbraw/zinc/38/68/73/648386873.db2.gz IFZMAQHJVHUDDX-MLGOLLRUSA-N 1 0 375.519 2.152 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419899864 648387304 /nfs/dbraw/zinc/38/73/04/648387304.db2.gz ZOJDVZHDQCGTIC-AWEZNQCLSA-N 1 0 382.302 2.056 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000419906383 648387393 /nfs/dbraw/zinc/38/73/93/648387393.db2.gz ZYRAQDNHCKVUOG-BZUAXINKSA-N 1 0 394.313 2.499 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419910393 648387637 /nfs/dbraw/zinc/38/76/37/648387637.db2.gz HTBVPFBYGQKHJB-CJNGLKHVSA-N 1 0 394.313 2.228 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419910792 648388188 /nfs/dbraw/zinc/38/81/88/648388188.db2.gz IRDSHGFOMXJPGK-QWHCGFSZSA-N 1 0 382.302 2.084 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419911272 648388257 /nfs/dbraw/zinc/38/82/57/648388257.db2.gz JHVMRRRPDNCRIT-AWEZNQCLSA-N 1 0 396.329 2.304 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419920564 648388606 /nfs/dbraw/zinc/38/86/06/648388606.db2.gz CCQITSOQGQHVON-HNNXBMFYSA-N 1 0 396.329 2.446 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419923397 648388658 /nfs/dbraw/zinc/38/86/58/648388658.db2.gz GOLIJEBZIMAMIZ-CQSZACIVSA-N 1 0 396.310 2.285 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419932445 648389913 /nfs/dbraw/zinc/38/99/13/648389913.db2.gz DORQUIDBXOCWJC-IUODEOHRSA-N 1 0 382.302 2.084 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000419945645 648390630 /nfs/dbraw/zinc/39/06/30/648390630.db2.gz KJQQPLJNRCCSBM-WBMJQRKESA-N 1 0 377.535 2.255 20 0 GEADRO Cc1cc(C2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)ccc1Br ZINC000419950070 648391098 /nfs/dbraw/zinc/39/10/98/648391098.db2.gz GXNFDGQIZFIIED-GFCCVEGCSA-N 1 0 396.329 2.175 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)NC[C@@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000419962603 648391400 /nfs/dbraw/zinc/39/14/00/648391400.db2.gz VJFKUZNDCMUFTI-RYUDHWBXSA-N 1 0 390.311 2.320 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@H](C)C[NH3+])ccc1Br ZINC000419963349 648391467 /nfs/dbraw/zinc/39/14/67/648391467.db2.gz VZAJIAXVMLFTLT-IAQYHMDHSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000419989167 648393242 /nfs/dbraw/zinc/39/32/42/648393242.db2.gz GKEPIMKBZDUGTP-QMTHXVAHSA-N 1 0 386.265 2.105 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000419989537 648393621 /nfs/dbraw/zinc/39/36/21/648393621.db2.gz BGFMBBWCFNFMPD-GFCCVEGCSA-N 1 0 384.307 2.384 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)N[C@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420014881 648395951 /nfs/dbraw/zinc/39/59/51/648395951.db2.gz PEBFIFYTKXLZND-GHMZBOCLSA-N 1 0 376.284 2.073 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000420027756 648396998 /nfs/dbraw/zinc/39/69/98/648396998.db2.gz LHRJPNXDXFFMMU-NSHDSACASA-N 1 0 388.295 2.074 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CC2)ccc1Br ZINC000420025164 648397095 /nfs/dbraw/zinc/39/70/95/648397095.db2.gz BDBGIHKHMMXUON-HZPDHXFCSA-N 1 0 394.313 2.275 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000420032124 648397322 /nfs/dbraw/zinc/39/73/22/648397322.db2.gz FYRNAFMCRZKGRY-JMSVASOKSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1)C1CC1 ZINC000420050995 648397898 /nfs/dbraw/zinc/39/78/98/648397898.db2.gz ZPWOGJCXSXZTNS-MRXNPFEDSA-N 1 0 394.313 2.009 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420070483 648399629 /nfs/dbraw/zinc/39/96/29/648399629.db2.gz VLOJHSGMVDGXLD-NWDGAFQWSA-N 1 0 388.331 2.103 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CCC1 ZINC000420092640 648401163 /nfs/dbraw/zinc/40/11/63/648401163.db2.gz OSDXYHQSGOPXOU-AWEZNQCLSA-N 1 0 398.276 2.249 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCC2)ccc1Br ZINC000420092966 648401170 /nfs/dbraw/zinc/40/11/70/648401170.db2.gz OZOBEKCORXTMST-HNNXBMFYSA-N 1 0 394.313 2.419 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420127826 648403902 /nfs/dbraw/zinc/40/39/02/648403902.db2.gz PIKRHZRAAFIKJH-IUODEOHRSA-N 1 0 382.302 2.054 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000420140913 648404928 /nfs/dbraw/zinc/40/49/28/648404928.db2.gz HJFWAJKASOMKRB-JTQLQIEISA-N 1 0 376.320 2.103 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420152324 648406039 /nfs/dbraw/zinc/40/60/39/648406039.db2.gz ZAOQZBMTSMXMLJ-MLGOLLRUSA-N 1 0 394.313 2.054 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000420159850 648406579 /nfs/dbraw/zinc/40/65/79/648406579.db2.gz SXBOTCDVQSESNW-CYBMUJFWSA-N 1 0 396.329 2.053 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420173081 648407779 /nfs/dbraw/zinc/40/77/79/648407779.db2.gz WJRWGZMKGRCRNV-OAHLLOKOSA-N 1 0 396.329 2.302 20 0 GEADRO COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420186152 648408205 /nfs/dbraw/zinc/40/82/05/648408205.db2.gz QCXVUQGZNTVKHG-HNNXBMFYSA-N 1 0 388.295 2.009 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420199136 648409183 /nfs/dbraw/zinc/40/91/83/648409183.db2.gz DFLSURACVXLMEA-HEHGZKQESA-N 1 0 384.307 2.456 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420205514 648409409 /nfs/dbraw/zinc/40/94/09/648409409.db2.gz PIZLIJPJVPLDAI-BBRMVZONSA-N 1 0 396.329 2.430 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000420287850 648412969 /nfs/dbraw/zinc/41/29/69/648412969.db2.gz RQFICHCBAVDPKH-VXGBXAGGSA-N 1 0 378.274 2.319 20 0 GEADRO C[C@H](NC(=O)CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC000420351022 648413400 /nfs/dbraw/zinc/41/34/00/648413400.db2.gz VPFXUYGDADSABI-DZGCQCFKSA-N 1 0 385.339 2.150 20 0 GEADRO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1cccc(I)c1 ZINC000420350930 648413609 /nfs/dbraw/zinc/41/36/09/648413609.db2.gz VGHIOTOVXWLNNU-OKILXGFUSA-N 1 0 385.249 2.056 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)Nc1cccc(I)c1 ZINC000420355266 648414104 /nfs/dbraw/zinc/41/41/04/648414104.db2.gz BXOHKLAABLUCCB-UEKVPHQBSA-N 1 0 387.265 2.206 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420408221 648415842 /nfs/dbraw/zinc/41/58/42/648415842.db2.gz UEXJBLVSACGDRO-BLLLJJGKSA-N 1 0 399.276 2.446 20 0 GEADRO C[C@@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000420395854 648415904 /nfs/dbraw/zinc/41/59/04/648415904.db2.gz DSAYRGAUMQOICE-CHWSQXEVSA-N 1 0 375.332 2.140 20 0 GEADRO O=C(CN1CC[C@]2(CCC[NH2+]2)C1)Nc1cccc(I)c1 ZINC000420411668 648416449 /nfs/dbraw/zinc/41/64/49/648416449.db2.gz XVRIXRVNDTWDCY-OAHLLOKOSA-N 1 0 385.249 2.058 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000420448923 648416916 /nfs/dbraw/zinc/41/69/16/648416916.db2.gz MMIYKJOKTWZLJO-LBPRGKRZSA-N 1 0 382.404 2.144 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000420469941 648419324 /nfs/dbraw/zinc/41/93/24/648419324.db2.gz WGOIRMDNKPSJSQ-HIFRSBDPSA-N 1 0 386.901 2.279 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420471999 648419661 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CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421204109 648470606 /nfs/dbraw/zinc/47/06/06/648470606.db2.gz SBMBCDIHWNNQAI-ZDUSSCGKSA-N 1 0 394.313 2.138 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421214927 648472061 /nfs/dbraw/zinc/47/20/61/648472061.db2.gz DQVQLVHOUYTVPA-UHFFFAOYSA-N 1 0 394.313 2.283 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCc2c1cccc2Br)C1=CC[N@H+](C)CC1 ZINC000421218132 648472576 /nfs/dbraw/zinc/47/25/76/648472576.db2.gz LADZBQASKIHFPX-LBPRGKRZSA-N 1 0 392.297 2.105 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421296192 648485330 /nfs/dbraw/zinc/48/53/30/648485330.db2.gz JOLBNLRGUWCCDC-ZDUSSCGKSA-N 1 0 398.301 2.257 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000421301076 648486151 /nfs/dbraw/zinc/48/61/51/648486151.db2.gz PJBWHIWECROYPU-VIFPVBQESA-N 1 0 390.228 2.218 20 0 GEADRO CCN1CCC([N@@H+]2CCCN(Cc3c(Br)cnn3C)CC2)CC1 ZINC000421378895 648489466 /nfs/dbraw/zinc/48/94/66/648489466.db2.gz UBJZFRJUNXXTPP-UHFFFAOYSA-N 1 0 384.366 2.175 20 0 GEADRO CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000421531335 648496362 /nfs/dbraw/zinc/49/63/62/648496362.db2.gz GJPVXKPZNHUYFB-HNNXBMFYSA-N 1 0 378.519 2.404 20 0 GEADRO CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000421531336 648496453 /nfs/dbraw/zinc/49/64/53/648496453.db2.gz GJPVXKPZNHUYFB-OAHLLOKOSA-N 1 0 378.519 2.404 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)COc1ccc(I)cc1 ZINC000421700258 648505204 /nfs/dbraw/zinc/50/52/04/648505204.db2.gz DLGUNYIAKZRHFW-CYBMUJFWSA-N 1 0 388.249 2.223 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000421701095 648505377 /nfs/dbraw/zinc/50/53/77/648505377.db2.gz HAGKIGBXRXWIKX-JKSUJKDBSA-N 1 0 381.929 2.408 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)CSCc3cscn3)CC2)CC1 ZINC000422010142 648517914 /nfs/dbraw/zinc/51/79/14/648517914.db2.gz BNQPAOWKDUZVCJ-UHFFFAOYSA-N 1 0 382.599 2.395 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000422069168 648519508 /nfs/dbraw/zinc/51/95/08/648519508.db2.gz DHSVLFDVWSMRNK-CABCVRRESA-N 1 0 394.313 2.117 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000422274862 648532302 /nfs/dbraw/zinc/53/23/02/648532302.db2.gz ZNTUHZJDWYHHLX-LBPRGKRZSA-N 1 0 380.901 2.119 20 0 GEADRO CS[C@H]1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000422340799 648538252 /nfs/dbraw/zinc/53/82/52/648538252.db2.gz NNPIQVUBEPDCED-CVEARBPZSA-N 1 0 383.583 2.429 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000422482778 648550874 /nfs/dbraw/zinc/55/08/74/648550874.db2.gz ZWTIHEBYGBVGCG-INIZCTEOSA-N 1 0 396.329 2.051 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c(F)cc1Br ZINC000422556073 648559036 /nfs/dbraw/zinc/55/90/36/648559036.db2.gz RSGLQVDPZSJFLO-UHFFFAOYSA-N 1 0 377.279 2.413 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000422617253 648562604 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CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423146278 648584532 /nfs/dbraw/zinc/58/45/32/648584532.db2.gz PABQNUQZBKMWRF-UHFFFAOYSA-N 1 0 380.290 2.141 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000423163928 648585560 /nfs/dbraw/zinc/58/55/60/648585560.db2.gz RUTFGXWFDPFTTE-UKPHBRMFSA-N 1 0 385.346 2.265 20 0 GEADRO CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423300479 648589701 /nfs/dbraw/zinc/58/97/01/648589701.db2.gz RRKZFFYBEQMSIV-ZYHUDNBSSA-N 1 0 378.336 2.265 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)C1 ZINC000423488641 648592780 /nfs/dbraw/zinc/59/27/80/648592780.db2.gz WIXBFVWAVIZXPK-YNEHKIRRSA-N 1 0 394.313 2.091 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000423560196 648595585 /nfs/dbraw/zinc/59/55/85/648595585.db2.gz KXQMGHGTZGVPBD-QWHCGFSZSA-N 1 0 382.302 2.179 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)s2)CC1 ZINC000423566226 648596001 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2.229 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000423686020 648599383 /nfs/dbraw/zinc/59/93/83/648599383.db2.gz SRCUAXMAIXQRMS-GXFFZTMASA-N 1 0 388.331 2.197 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000423681087 648599444 /nfs/dbraw/zinc/59/94/44/648599444.db2.gz MWWIUPZLBKZWBQ-WFASDCNBSA-N 1 0 382.302 2.136 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423709138 648600321 /nfs/dbraw/zinc/60/03/21/648600321.db2.gz VUSDOCPRITYGPS-AAEUAGOBSA-N 1 0 388.295 2.169 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000423708235 648600381 /nfs/dbraw/zinc/60/03/81/648600381.db2.gz UNEKWOFQOQEJES-ZDUSSCGKSA-N 1 0 396.329 2.135 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000423734736 648600837 /nfs/dbraw/zinc/60/08/37/648600837.db2.gz DEHJTZSIWQFVOB-NSHDSACASA-N 1 0 388.331 2.070 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000423745037 648601257 /nfs/dbraw/zinc/60/12/57/648601257.db2.gz NGUKECHCJWANOP-OAHLLOKOSA-N 1 0 382.302 2.008 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C1 ZINC000423746909 648601383 /nfs/dbraw/zinc/60/13/83/648601383.db2.gz YFMRBIXWBWMHDZ-UKRRQHHQSA-N 1 0 396.329 2.036 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423815332 648601938 /nfs/dbraw/zinc/60/19/38/648601938.db2.gz WDHVXPBEJMTRQT-NSHDSACASA-N 1 0 396.289 2.279 20 0 GEADRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCOc2ccc(I)cc2)C1 ZINC000423837249 648602526 /nfs/dbraw/zinc/60/25/26/648602526.db2.gz AXPURVBZSAMQFW-SMDDNHRTSA-N 1 0 388.249 2.174 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]([NH3+])C3CCC3)C2=O)ccc1Br ZINC000423851671 648603130 /nfs/dbraw/zinc/60/31/30/648603130.db2.gz URFOUALBPBIKMS-GJZGRUSLSA-N 1 0 380.286 2.106 20 0 GEADRO CC(=O)N[C@H](CC(=O)N(C)[C@@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423942876 648603578 /nfs/dbraw/zinc/60/35/78/648603578.db2.gz BZCWBHCNUUUPQX-CVEARBPZSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CCCC1 ZINC000423960724 648605676 /nfs/dbraw/zinc/60/56/76/648605676.db2.gz NOFNZEUEVOSGEB-HZPDHXFCSA-N 1 0 381.929 2.489 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000423965774 648606423 /nfs/dbraw/zinc/60/64/23/648606423.db2.gz YTPAULFSVHIPMI-ZDUSSCGKSA-N 1 0 385.306 2.450 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc(Br)ccc3F)C2)nn1 ZINC000423995698 648607955 /nfs/dbraw/zinc/60/79/55/648607955.db2.gz FEAYZKQAKRQRSG-LBPRGKRZSA-N 1 0 382.237 2.116 20 0 GEADRO CC(C)n1cc(Br)cc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000424001545 648608627 /nfs/dbraw/zinc/60/86/27/648608627.db2.gz NMCHOINIYCZWOV-CQSZACIVSA-N 1 0 395.305 2.359 20 0 GEADRO Cc1c(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000424003655 648609151 /nfs/dbraw/zinc/60/91/51/648609151.db2.gz DTHVCYSKZVYMOD-AAEUAGOBSA-N 1 0 392.301 2.395 20 0 GEADRO Cc1ccc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000424007127 648609152 /nfs/dbraw/zinc/60/91/52/648609152.db2.gz UWWULWFJBWQWJU-AWEZNQCLSA-N 1 0 378.274 2.285 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N(C)CC[NH3+])C1 ZINC000424010401 648609745 /nfs/dbraw/zinc/60/97/45/648609745.db2.gz NVZKOUKDBUZHDY-CYBMUJFWSA-N 1 0 382.302 2.027 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CC[NH3+] ZINC000424013805 648610200 /nfs/dbraw/zinc/61/02/00/648610200.db2.gz XQAKCTFMWQDENU-CYBMUJFWSA-N 1 0 378.325 2.262 20 0 GEADRO Cc1cc(Br)c(O)c(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000424173645 648615990 /nfs/dbraw/zinc/61/59/90/648615990.db2.gz LOTJCFXBPQXCIB-JTQLQIEISA-N 1 0 380.246 2.231 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(F)c(I)c1 ZINC000424309993 648622809 /nfs/dbraw/zinc/62/28/09/648622809.db2.gz BOKZLYUNHNOSGY-QPUJVOFHSA-N 1 0 390.196 2.228 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424389592 648626207 /nfs/dbraw/zinc/62/62/07/648626207.db2.gz IJHWKFLSMQZZHN-LBPRGKRZSA-N 1 0 386.901 2.279 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)[C@H](C)[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000424469787 648629453 /nfs/dbraw/zinc/62/94/53/648629453.db2.gz POEYZSIUUDGUDY-LWWSYDQCSA-N 1 0 398.301 2.083 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000424461915 648629643 /nfs/dbraw/zinc/62/96/43/648629643.db2.gz DOIHNKFJLUEYAV-KFWWJZLASA-N 1 0 398.301 2.084 20 0 GEADRO C[NH2+]CCN(C)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424470204 648630038 /nfs/dbraw/zinc/63/00/38/648630038.db2.gz PXDATCPIIIDYDD-UHFFFAOYSA-N 1 0 381.645 2.305 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)N[C@H]1CC[NH2+]C1 ZINC000424482695 648631113 /nfs/dbraw/zinc/63/11/13/648631113.db2.gz VDNSBUZIMFGXLZ-NSHDSACASA-N 1 0 379.629 2.106 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000424733234 648642782 /nfs/dbraw/zinc/64/27/82/648642782.db2.gz GJDOZUBJJDKOGB-ZDUSSCGKSA-N 1 0 396.285 2.096 20 0 GEADRO CS[C@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)s2)C[C@@H]1[NH+]1CCCC1 ZINC000425435729 648677026 /nfs/dbraw/zinc/67/70/26/648677026.db2.gz UGCCUXRFXZJICA-GJZGRUSLSA-N 1 0 389.612 2.010 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)COc2ccc(F)cc2Br)n1 ZINC000523312187 648681715 /nfs/dbraw/zinc/68/17/15/648681715.db2.gz PUHDUJXOIZXWJZ-UHFFFAOYSA-N 1 0 385.237 2.364 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000425518135 648683432 /nfs/dbraw/zinc/68/34/32/648683432.db2.gz MKSLWFYPOSXNIT-JKSUJKDBSA-N 1 0 395.297 2.258 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(Br)c1 ZINC000425817410 648698826 /nfs/dbraw/zinc/69/88/26/648698826.db2.gz WEHCXQXTOBTUBM-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO C[C@@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C[NH+](C)C ZINC000425917841 648701301 /nfs/dbraw/zinc/70/13/01/648701301.db2.gz HATFVCCYJYAJMR-SMDDNHRTSA-N 1 0 375.332 2.455 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(Br)c2c1OCCC2 ZINC000426890626 648717898 /nfs/dbraw/zinc/71/78/98/648717898.db2.gz TULJZOKWLDPIIS-UHFFFAOYSA-N 1 0 397.313 2.351 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000428562434 648736829 /nfs/dbraw/zinc/73/68/29/648736829.db2.gz SXYCQWSBMFETRF-UHFFFAOYSA-N 1 0 394.324 2.191 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000428574601 648738432 /nfs/dbraw/zinc/73/84/32/648738432.db2.gz NHVLNGBWGAATBX-AWEZNQCLSA-N 1 0 387.933 2.275 20 0 GEADRO C[C@H](CNC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000428573481 648738476 /nfs/dbraw/zinc/73/84/76/648738476.db2.gz NASPVKAVBZWSEN-HIFRSBDPSA-N 1 0 398.345 2.382 20 0 GEADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000429141224 648746659 /nfs/dbraw/zinc/74/66/59/648746659.db2.gz JQHLITWAQDXRFR-LDYMZIIASA-N 1 0 384.221 2.025 20 0 GEADRO C[C@](C[NH3+])(NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000429238756 648747866 /nfs/dbraw/zinc/74/78/66/648747866.db2.gz OHXFVVNHARIXEN-MRXNPFEDSA-N 1 0 383.290 2.204 20 0 GEADRO Cc1cc(CC(C)(C)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)ccc1Br ZINC000429237223 648748011 /nfs/dbraw/zinc/74/80/11/648748011.db2.gz WLHRJINNTUJWIB-CYBMUJFWSA-N 1 0 398.345 2.261 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429271235 648748526 /nfs/dbraw/zinc/74/85/26/648748526.db2.gz ZWZBALKDNODGEQ-SMDDNHRTSA-N 1 0 383.290 2.204 20 0 GEADRO C[C@@H](NC(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)C ZINC000429288647 648749228 /nfs/dbraw/zinc/74/92/28/648749228.db2.gz OKCUPOXIAYAHTP-BDJLRTHQSA-N 1 0 396.329 2.255 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000429282082 648749392 /nfs/dbraw/zinc/74/93/92/648749392.db2.gz AEKQFWDLAHNZIM-NJZAAPMLSA-N 1 0 382.302 2.201 20 0 GEADRO COCC[C@@]1(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000429887394 648758015 /nfs/dbraw/zinc/75/80/15/648758015.db2.gz IQLDYPQBBMSWLC-AEFFLSMTSA-N 1 0 397.313 2.365 20 0 GEADRO CC[NH+](CC)CCCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430707048 648765166 /nfs/dbraw/zinc/76/51/66/648765166.db2.gz OVIARVHPTJAVSL-LBPRGKRZSA-N 1 0 392.363 2.479 20 0 GEADRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724417 648766269 /nfs/dbraw/zinc/76/62/69/648766269.db2.gz VUJUSFYWVQVQDP-HZMBPMFUSA-N 1 0 379.320 2.154 20 0 GEADRO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430730108 648766782 /nfs/dbraw/zinc/76/67/82/648766782.db2.gz IFEVTIYXUKFPGS-NSHDSACASA-N 1 0 391.331 2.300 20 0 GEADRO O=S(=O)([C@@H]1CCC[N@H+](CCSCc2ccccc2)C1)N1CCOCC1 ZINC000430760246 648767445 /nfs/dbraw/zinc/76/74/45/648767445.db2.gz GKNNFWGLIVSOBJ-GOSISDBHSA-N 1 0 384.567 2.046 20 0 GEADRO C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000430854335 648769005 /nfs/dbraw/zinc/76/90/05/648769005.db2.gz LDLVUQWRYHVDOW-MFKMUULPSA-N 1 0 395.257 2.055 20 0 GEADRO COCC[C@@]1(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000430899140 648769328 /nfs/dbraw/zinc/76/93/28/648769328.db2.gz YYOKVOHKIKHMDW-YJBOKZPZSA-N 1 0 396.329 2.160 20 0 GEADRO C[NH2+]C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000430936541 648770490 /nfs/dbraw/zinc/77/04/90/648770490.db2.gz ZKEIPWQOGOSFPI-NWDGAFQWSA-N 1 0 387.265 2.160 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000432515518 648777164 /nfs/dbraw/zinc/77/71/64/648777164.db2.gz SFWIABRCAKKNNG-RCBQFDQVSA-N 1 0 396.329 2.318 20 0 GEADRO CSc1ccc(CC[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000435735702 648786860 /nfs/dbraw/zinc/78/68/60/648786860.db2.gz PINGZNFYKCNARH-SFHVURJKSA-N 1 0 379.551 2.471 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000435770397 648787309 /nfs/dbraw/zinc/78/73/09/648787309.db2.gz DHAGRCPLDJYKRB-CYBMUJFWSA-N 1 0 382.917 2.491 20 0 GEADRO Cc1ccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1S(C)(=O)=O ZINC000435896471 648789135 /nfs/dbraw/zinc/78/91/35/648789135.db2.gz GUKQMRCQTHKTGO-MRXNPFEDSA-N 1 0 380.897 2.238 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000440755552 648812442 /nfs/dbraw/zinc/81/24/42/648812442.db2.gz PJXCONWZBYZSLM-GXTWGEPZSA-N 1 0 376.906 2.113 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000440760066 648812945 /nfs/dbraw/zinc/81/29/45/648812945.db2.gz NMENCHONMLFMCC-KBPBESRZSA-N 1 0 390.933 2.422 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000440808864 648814022 /nfs/dbraw/zinc/81/40/22/648814022.db2.gz LMQXWWAICYYCHD-LLVKDONJSA-N 1 0 377.304 2.207 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C[C@@H]1[NH3+] ZINC000440846265 648816370 /nfs/dbraw/zinc/81/63/70/648816370.db2.gz SWUWAHVXQSCYDV-YUELXQCFSA-N 1 0 388.917 2.256 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2sc(C)nc2C)cc1 ZINC000440846793 648816749 /nfs/dbraw/zinc/81/67/49/648816749.db2.gz MTHIKKPHAXCWKY-JKSUJKDBSA-N 1 0 381.523 2.193 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000440852105 648817450 /nfs/dbraw/zinc/81/74/50/648817450.db2.gz HKWXIEKHSAWKRX-VXGBXAGGSA-N 1 0 386.823 2.486 20 0 GEADRO CCn1nc(C)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1C ZINC000441330101 648825272 /nfs/dbraw/zinc/82/52/72/648825272.db2.gz LFLHBDQZSVYIGB-UHFFFAOYSA-N 1 0 388.896 2.380 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000443081691 648860131 /nfs/dbraw/zinc/86/01/31/648860131.db2.gz WTRZYNBTVAXBDV-GFCCVEGCSA-N 1 0 389.543 2.109 20 0 GEADRO CC(C)[C@H](CNC(=O)Cc1ccc(Br)cc1O)[NH+]1CCN(C)CC1 ZINC000548076983 651063102 /nfs/dbraw/zinc/06/31/02/651063102.db2.gz DDFCUUBKIYBGFG-INIZCTEOSA-N 1 0 398.345 2.085 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000548504516 651078941 /nfs/dbraw/zinc/07/89/41/651078941.db2.gz CUJGXDMJTJCCII-HUUCEWRRSA-N 1 0 381.523 2.361 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000548758660 651084616 /nfs/dbraw/zinc/08/46/16/651084616.db2.gz TWFRLQKRESOARZ-LBPRGKRZSA-N 1 0 391.331 2.361 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)c(F)cc1Br ZINC000548808885 651086343 /nfs/dbraw/zinc/08/63/43/651086343.db2.gz BGACYHRKYUIEGN-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO O=c1c(Br)c(NC[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccccn1 ZINC000549108485 651092259 /nfs/dbraw/zinc/09/22/59/651092259.db2.gz DKTIYHXEOVACTK-GFCCVEGCSA-N 1 0 390.285 2.286 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)C[C@H](C)COC2CCCC2)C[C@H]1[NH+]1CCCC1 ZINC000549804929 651100865 /nfs/dbraw/zinc/10/08/65/651100865.db2.gz CBLQNVOXTJUUIW-KBAYOESNSA-N 1 0 390.615 2.423 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000550360800 651109858 /nfs/dbraw/zinc/10/98/58/651109858.db2.gz AENJWWVHFVTUMD-HNNXBMFYSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1Br)C[NH+]1CCCCC1 ZINC000550390669 651110374 /nfs/dbraw/zinc/11/03/74/651110374.db2.gz BUIGRSOMCGJLIS-AWEZNQCLSA-N 1 0 396.329 2.304 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550409414 651110733 /nfs/dbraw/zinc/11/07/33/651110733.db2.gz FYFHRGQOIXJAJF-UHFFFAOYSA-N 1 0 378.897 2.052 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000550654665 651113532 /nfs/dbraw/zinc/11/35/32/651113532.db2.gz YLOLCCAWUFKFAJ-KGLIPLIRSA-N 1 0 396.329 2.474 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000550758232 651115011 /nfs/dbraw/zinc/11/50/11/651115011.db2.gz XMQLVLXRBHNBJS-UHFFFAOYSA-N 1 0 396.329 2.304 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000550837710 651115727 /nfs/dbraw/zinc/11/57/27/651115727.db2.gz VAQREOBEMPKDQC-UHFFFAOYSA-N 1 0 378.420 2.177 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1Cl)C[NH+](C)C ZINC000551040839 651117385 /nfs/dbraw/zinc/11/73/85/651117385.db2.gz BYSJHFAFWQWVAC-SECBINFHSA-N 1 0 376.682 2.355 20 0 GEADRO Cc1c(Cl)cc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1Cl ZINC000551180016 651119437 /nfs/dbraw/zinc/11/94/37/651119437.db2.gz LMZCEEGYMZRCFB-UHFFFAOYSA-N 1 0 384.267 2.637 20 0 GEADRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000551304597 651122138 /nfs/dbraw/zinc/12/21/38/651122138.db2.gz JVJQJMNLIVIGEM-OAHLLOKOSA-N 1 0 388.896 2.268 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3F)C2)CC1 ZINC000551512449 651126818 /nfs/dbraw/zinc/12/68/18/651126818.db2.gz GTGTXILOWKRYID-OAHLLOKOSA-N 1 0 389.924 2.268 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCc3ccc(Br)cc3C2)C[C@H](C)O1 ZINC000551747599 651131493 /nfs/dbraw/zinc/13/14/93/651131493.db2.gz CWCVLOYXGMPXGY-IYOUNJFTSA-N 1 0 383.330 2.277 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000551821431 651133745 /nfs/dbraw/zinc/13/37/45/651133745.db2.gz KJGNIHICBQMOGD-KBPBESRZSA-N 1 0 399.329 2.497 20 0 GEADRO C[C@](CO)([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccc(Br)cc1 ZINC000552004683 651137623 /nfs/dbraw/zinc/13/76/23/651137623.db2.gz JKRFRMYWXFCQJO-QGZVFWFLSA-N 1 0 398.301 2.015 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C[C@@H]2CCSC2)c1 ZINC000552021850 651138205 /nfs/dbraw/zinc/13/82/05/651138205.db2.gz GTYLHFMWIOGAHB-LBPRGKRZSA-N 1 0 393.372 2.379 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)C1(c2cccc(Br)c2)CC1 ZINC000552027289 651138383 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C[NH+](C)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000552600020 651153319 /nfs/dbraw/zinc/15/33/19/651153319.db2.gz BNROJZUWNDEWOK-MRXNPFEDSA-N 1 0 381.885 2.020 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000552794413 651158248 /nfs/dbraw/zinc/15/82/48/651158248.db2.gz AHZBKEQNWZHKCK-LLVKDONJSA-N 1 0 395.305 2.374 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000553024213 651162608 /nfs/dbraw/zinc/16/26/08/651162608.db2.gz CODKFEWMWALROD-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000553097296 651164923 /nfs/dbraw/zinc/16/49/23/651164923.db2.gz XLGZNVKUCWFTRN-ZDUSSCGKSA-N 1 0 384.318 2.254 20 0 GEADRO NS(=O)(=O)C[C@H]1CCC[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000553615995 651183300 /nfs/dbraw/zinc/18/33/00/651183300.db2.gz VDZDODHCIBGKDD-AWEZNQCLSA-N 1 0 388.917 2.044 20 0 GEADRO CSc1cccc(S(=O)(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000554680148 651210046 /nfs/dbraw/zinc/21/00/46/651210046.db2.gz RSKJKYXATRBAFE-INIZCTEOSA-N 1 0 383.583 2.198 20 0 GEADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000554699306 651210764 /nfs/dbraw/zinc/21/07/64/651210764.db2.gz BVWTWUCSDDCWGZ-ZIAGYGMSSA-N 1 0 398.345 2.200 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000554707800 651211041 /nfs/dbraw/zinc/21/10/41/651211041.db2.gz CIJFXKBZIGXDTF-UHFFFAOYSA-N 1 0 381.464 2.008 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000554717697 651211726 /nfs/dbraw/zinc/21/17/26/651211726.db2.gz GIDLJEKLEXZIBL-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000555275658 651221606 /nfs/dbraw/zinc/22/16/06/651221606.db2.gz MERNUTFOSHQAFM-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO CC(C)[C@@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000555535223 651227667 /nfs/dbraw/zinc/22/76/67/651227667.db2.gz XJSKMYHEEZIZTL-HNNXBMFYSA-N 1 0 379.302 2.229 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000555532998 651227685 /nfs/dbraw/zinc/22/76/85/651227685.db2.gz BYIMOZRRENRVOT-ZDUSSCGKSA-N 1 0 375.332 2.225 20 0 GEADRO COCC[N@H+](CCC(=O)N1CCOCC1)Cc1ccc(Br)s1 ZINC000555537720 651228020 /nfs/dbraw/zinc/22/80/20/651228020.db2.gz MYDRKFWCUHRMDA-UHFFFAOYSA-N 1 0 391.331 2.208 20 0 GEADRO C[C@@H](NC(=O)Cc1ccc(Br)cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000555545217 651228478 /nfs/dbraw/zinc/22/84/78/651228478.db2.gz ZHTKVTKGJPTFLL-CQSZACIVSA-N 1 0 396.329 2.098 20 0 GEADRO CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000555929632 651233415 /nfs/dbraw/zinc/23/34/15/651233415.db2.gz IIWJLHKAMOAINL-OAHLLOKOSA-N 1 0 387.237 2.395 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1)C1CCCC1 ZINC000555939857 651233611 /nfs/dbraw/zinc/23/36/11/651233611.db2.gz BBBPSNLPIMFRCM-UHFFFAOYSA-N 1 0 378.420 2.177 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000555938655 651233619 /nfs/dbraw/zinc/23/36/19/651233619.db2.gz QGMGNIUFMJYSJR-LLVKDONJSA-N 1 0 395.301 2.118 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000555944506 651233945 /nfs/dbraw/zinc/23/39/45/651233945.db2.gz ZFAIFJTVSANVFK-AWEZNQCLSA-N 1 0 396.329 2.302 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)C1 ZINC000556241812 651238771 /nfs/dbraw/zinc/23/87/71/651238771.db2.gz SOWAWJZJLXDCER-MGPQQGTHSA-N 1 0 379.444 2.200 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000556262991 651239126 /nfs/dbraw/zinc/23/91/26/651239126.db2.gz YWCKSVCBZCGCLR-ZDUSSCGKSA-N 1 0 384.318 2.380 20 0 GEADRO CSCC[C@@H](C)N(C)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556302647 651240071 /nfs/dbraw/zinc/24/00/71/651240071.db2.gz CXWOZZLWKFZXGX-OAHLLOKOSA-N 1 0 387.615 2.064 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000556394925 651242458 /nfs/dbraw/zinc/24/24/58/651242458.db2.gz DZYYXUIQNCSUTB-UHFFFAOYSA-N 1 0 398.345 2.253 20 0 GEADRO CCCOc1ccc(Br)cc1C[NH2+]CCn1cc(C(=O)OC)nn1 ZINC000556409699 651243428 /nfs/dbraw/zinc/24/34/28/651243428.db2.gz ZXHXLBAXVCOLMG-UHFFFAOYSA-N 1 0 397.273 2.406 20 0 GEADRO C[C@@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ncc(Br)cn1 ZINC000556756896 651251385 /nfs/dbraw/zinc/25/13/85/651251385.db2.gz SVAWKMNLFTXIKO-NWDGAFQWSA-N 1 0 382.306 2.426 20 0 GEADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000556831117 651254602 /nfs/dbraw/zinc/25/46/02/651254602.db2.gz SVJLEWRNLCFSEU-MRXNPFEDSA-N 1 0 385.295 2.399 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000556888809 651256051 /nfs/dbraw/zinc/25/60/51/651256051.db2.gz BFSKYOHULNRDKE-GFCCVEGCSA-N 1 0 383.286 2.489 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cn1 ZINC000556920273 651257216 /nfs/dbraw/zinc/25/72/16/651257216.db2.gz LJUHEJXTIBCLDD-YPMHNXCESA-N 1 0 376.320 2.309 20 0 GEADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000556925304 651257235 /nfs/dbraw/zinc/25/72/35/651257235.db2.gz PDFUXYUIZWOASP-CQSZACIVSA-N 1 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CC(=O)NCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CCSCC1 ZINC000558865851 651287105 /nfs/dbraw/zinc/28/71/05/651287105.db2.gz PWCGPBRKASGAEX-KRWDZBQOSA-N 1 0 386.945 2.413 20 0 GEADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2=O)cn1 ZINC000559273691 651294699 /nfs/dbraw/zinc/29/46/99/651294699.db2.gz UUGSXXIXCKNGGJ-DYVFJYSZSA-N 1 0 389.297 2.435 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000559365910 651296343 /nfs/dbraw/zinc/29/63/43/651296343.db2.gz WZSBYBPJKXBCKH-UHFFFAOYSA-N 1 0 398.345 2.301 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000559972049 651302357 /nfs/dbraw/zinc/30/23/57/651302357.db2.gz DFSGSBWOIOROIA-NSHDSACASA-N 1 0 386.290 2.100 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000560303689 651306731 /nfs/dbraw/zinc/30/67/31/651306731.db2.gz YMEAPDKVUWMYLZ-ZIAGYGMSSA-N 1 0 398.345 2.343 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000560303556 651306740 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CCCN(Cc1ccccc1Br)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919810 651475860 /nfs/dbraw/zinc/47/58/60/651475860.db2.gz HWDWXRCKEZIHIX-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(I)c(Br)c1 ZINC000721576710 651477042 /nfs/dbraw/zinc/47/70/42/651477042.db2.gz HZTQITLXLQMKAH-SSDOTTSWSA-N 1 0 397.054 2.473 20 0 GEADRO CC(C)(C[NH2+]Cc1cccc(I)c1)CS(C)(=O)=O ZINC000723884707 651478120 /nfs/dbraw/zinc/47/81/20/651478120.db2.gz YMMDFIUYVCIONI-UHFFFAOYSA-N 1 0 381.279 2.452 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccccc1O ZINC000725851862 651481713 /nfs/dbraw/zinc/48/17/13/651481713.db2.gz YXXLGLFTBKIXHA-AWEZNQCLSA-N 1 0 383.901 2.242 20 0 GEADRO COc1ccc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(Br)c1 ZINC000643251432 651481637 /nfs/dbraw/zinc/48/16/37/651481637.db2.gz JGKILGGNGYRTDH-QGZVFWFLSA-N 1 0 396.329 2.372 20 0 GEADRO COC1([C@@H](C)[NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCOCC1 ZINC000643257068 651482155 /nfs/dbraw/zinc/48/21/55/651482155.db2.gz 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O=C1[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)CCN1c1cccc(Br)c1 ZINC000569569489 651717768 /nfs/dbraw/zinc/71/77/68/651717768.db2.gz XDYFDKDKFNSXKF-RYUDHWBXSA-N 1 0 381.192 2.457 20 0 GEADRO O=C(NC[C@H]1CCCS1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000569601062 651720103 /nfs/dbraw/zinc/72/01/03/651720103.db2.gz KWROAOIZHFJRKN-HUUCEWRRSA-N 1 0 381.567 2.088 20 0 GEADRO Cc1nc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000646842827 651723677 /nfs/dbraw/zinc/72/36/77/651723677.db2.gz FDOPPIHMTCHRHP-NOZJJQNGSA-N 1 0 384.267 2.071 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000646913176 651727539 /nfs/dbraw/zinc/72/75/39/651727539.db2.gz APTADHWFPHHPNA-HZMBPMFUSA-N 1 0 376.254 2.479 20 0 GEADRO C[C@H]1SCC[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000646936037 651729264 /nfs/dbraw/zinc/72/92/64/651729264.db2.gz PAZLFPPKKYDBND-UKRRQHHQSA-N 1 0 379.551 2.184 20 0 GEADRO COc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000733936799 651729435 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O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@H]1CC12CC[NH2+]CC2 ZINC000647056209 651732746 /nfs/dbraw/zinc/73/27/46/651732746.db2.gz WDACCJYRXDLLDB-ZDUSSCGKSA-N 1 0 376.507 2.258 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C)CCC[NH3+] ZINC000647062915 651732852 /nfs/dbraw/zinc/73/28/52/651732852.db2.gz PFADZXIKJNDEQR-IUODEOHRSA-N 1 0 384.318 2.447 20 0 GEADRO CNC(=O)C1([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)CCCC1 ZINC000733999612 651732779 /nfs/dbraw/zinc/73/27/79/651732779.db2.gz RERMVRIMUYYDBJ-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CCC([NH3+])CC2)cc1Cl ZINC000647179416 651734825 /nfs/dbraw/zinc/73/48/25/651734825.db2.gz YADUOVCKDOOUGV-UHFFFAOYSA-N 1 0 383.297 2.130 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1Cl ZINC000647209901 651736572 /nfs/dbraw/zinc/73/65/72/651736572.db2.gz UXBJVZVZSSYAMK-SNVBAGLBSA-N 1 0 383.297 2.049 20 0 GEADRO O=S(=O)(NCC[NH2+]C1CC1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000647210233 651736772 /nfs/dbraw/zinc/73/67/72/651736772.db2.gz VRDZMIIKJWGEBI-UHFFFAOYSA-N 1 0 384.395 2.134 20 0 GEADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647216278 651737301 /nfs/dbraw/zinc/73/73/01/651737301.db2.gz BBZPXGIYOCDOEC-SNVBAGLBSA-N 1 0 381.723 2.474 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)s1 ZINC000647227641 651737758 /nfs/dbraw/zinc/73/77/58/651737758.db2.gz HZAALPXUWCQART-GFCCVEGCSA-N 1 0 385.555 2.098 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(F)cc1Br ZINC000569988811 651738889 /nfs/dbraw/zinc/73/88/89/651738889.db2.gz WNNMCZGTTPIDRN-UHFFFAOYSA-N 1 0 377.279 2.480 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2F)cc1Cl ZINC000570037907 651741734 /nfs/dbraw/zinc/74/17/34/651741734.db2.gz LOEZDQMZRASDFC-CYBMUJFWSA-N 1 0 387.860 2.412 20 0 GEADRO CC[C@H](NC(=S)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1cccs1 ZINC000734374652 651743181 /nfs/dbraw/zinc/74/31/81/651743181.db2.gz AZWWVAUWBLJNIX-HNNXBMFYSA-N 1 0 382.599 2.464 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000647316526 651743369 /nfs/dbraw/zinc/74/33/69/651743369.db2.gz PEHSVJRYACPIEB-RYUDHWBXSA-N 1 0 390.347 2.311 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC4(CC[NH2+]4)CC3)cc21 ZINC000647325187 651744575 /nfs/dbraw/zinc/74/45/75/651744575.db2.gz YYSNICHIROAYMT-UHFFFAOYSA-N 1 0 398.326 2.457 20 0 GEADRO CC[C@@H]([NH2+]CCCc1ncn(C)n1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000647327195 651744678 /nfs/dbraw/zinc/74/46/78/651744678.db2.gz VRSBBLKLBSPRLE-CQSZACIVSA-N 1 0 385.921 2.050 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000647438099 651745746 /nfs/dbraw/zinc/74/57/46/651745746.db2.gz VSHJJLZDWCTQFK-UHFFFAOYSA-N 1 0 389.257 2.403 20 0 GEADRO CCOC(=O)c1cnc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c(Cl)c1 ZINC000570088549 651746276 /nfs/dbraw/zinc/74/62/76/651746276.db2.gz GOVIQXUMIXPITO-VIFPVBQESA-N 1 0 380.857 2.437 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@H](O)C(F)(F)F ZINC000647514987 651749003 /nfs/dbraw/zinc/74/90/03/651749003.db2.gz KQOXJFXKVZRTQY-JWYUURKGSA-N 1 0 390.171 2.229 20 0 GEADRO O[C@H](CNC[C@H](O)COc1cc(Cl)ccc1Cl)C[NH+]1CCCCC1 ZINC000647517786 651749472 /nfs/dbraw/zinc/74/94/72/651749472.db2.gz CZKQOSIGWINZBO-CABCVRRESA-N 1 0 377.312 2.170 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000612304907 651751303 /nfs/dbraw/zinc/75/13/03/651751303.db2.gz RTQWYNPRJHBAAO-QMTHXVAHSA-N 1 0 381.270 2.433 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2ccc(Br)s2)CC1 ZINC000612333008 651752526 /nfs/dbraw/zinc/75/25/26/651752526.db2.gz OVEWEMDMWMVAIG-UHFFFAOYSA-N 1 0 389.363 2.336 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2csc(Br)c2)CC1 ZINC000612332573 651752667 /nfs/dbraw/zinc/75/26/67/651752667.db2.gz ZQINCEXZNFTXFP-UHFFFAOYSA-N 1 0 389.363 2.336 20 0 GEADRO CN(CCN1CC[NH2+]CC1)C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000647777189 651758426 /nfs/dbraw/zinc/75/84/26/651758426.db2.gz DGRJARXIWMSZPV-UHFFFAOYSA-N 1 0 378.325 2.381 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)C(C)(C)c3ccc(Br)cc3)C2)CC1 ZINC000647825318 651761385 /nfs/dbraw/zinc/76/13/85/651761385.db2.gz RPZURWIHGQUTHS-UHFFFAOYSA-N 1 0 394.357 2.433 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)COc1cccc(Br)c1 ZINC000647822065 651761415 /nfs/dbraw/zinc/76/14/15/651761415.db2.gz PUXMBBKILVZKMI-HZPDHXFCSA-N 1 0 383.286 2.150 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N(C)CCC[NH3+] ZINC000647829693 651761934 /nfs/dbraw/zinc/76/19/34/651761934.db2.gz NYOOHIVHKCIAGU-HNNXBMFYSA-N 1 0 399.333 2.224 20 0 GEADRO CN(CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000647834707 651761994 /nfs/dbraw/zinc/76/19/94/651761994.db2.gz CVOBISMCRJQLDR-UHFFFAOYSA-N 1 0 378.826 2.134 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000647834196 651762127 /nfs/dbraw/zinc/76/21/27/651762127.db2.gz YBALFSDTMNHNCG-UHOFOFEASA-N 1 0 381.929 2.406 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647870919 651763734 /nfs/dbraw/zinc/76/37/34/651763734.db2.gz NBBMZOAYJWEXKY-UHFFFAOYSA-N 1 0 385.961 2.426 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CCO1 ZINC000647877639 651764295 /nfs/dbraw/zinc/76/42/95/651764295.db2.gz YIYIGHYKZNMPKD-BBRMVZONSA-N 1 0 397.313 2.072 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647940816 651767199 /nfs/dbraw/zinc/76/71/99/651767199.db2.gz HBISXTWXMWQAFM-HERUPUMHSA-N 1 0 379.810 2.293 20 0 GEADRO C[C@H](NC(=O)CN1CC[NH2+]C[C@H]1C(F)F)c1ccc(Br)cc1 ZINC000647968321 651768061 /nfs/dbraw/zinc/76/80/61/651768061.db2.gz GOSYGGKYICDBMT-GWCFXTLKSA-N 1 0 376.245 2.165 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+]C[C@H]2CNc3ccnn3C2)cc1Br ZINC000648041187 651770951 /nfs/dbraw/zinc/77/09/51/651770951.db2.gz KMBLMAWYNZPRRG-HOTGVXAUSA-N 1 0 393.329 2.437 20 0 GEADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000648048500 651771491 /nfs/dbraw/zinc/77/14/91/651771491.db2.gz JUANRIVGSZSKBT-XBXGTLAGSA-N 1 0 380.286 2.364 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648048649 651771702 /nfs/dbraw/zinc/77/17/02/651771702.db2.gz XOBZUBCROSNTKH-WQVCFCJDSA-N 1 0 392.297 2.377 20 0 GEADRO COc1sc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1Br ZINC000648065974 651773202 /nfs/dbraw/zinc/77/32/02/651773202.db2.gz UQSMVLVJFKPKHS-JTQLQIEISA-N 1 0 376.320 2.071 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(F)cc1Br ZINC000570544463 651773853 /nfs/dbraw/zinc/77/38/53/651773853.db2.gz DFCSRBJDQVINRG-QGZVFWFLSA-N 1 0 398.276 2.437 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000612870128 651773999 /nfs/dbraw/zinc/77/39/99/651773999.db2.gz CCRRLIVJPWSPDT-MRXNPFEDSA-N 1 0 382.258 2.147 20 0 GEADRO COCCOC1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000648080103 651773954 /nfs/dbraw/zinc/77/39/54/651773954.db2.gz XPBLYWPCABDIPZ-QGZVFWFLSA-N 1 0 385.302 2.277 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)NCc3cccc(Br)c3)C2)nn1 ZINC000570547631 651774448 /nfs/dbraw/zinc/77/44/48/651774448.db2.gz IZZOEYYNFWLUMW-HNNXBMFYSA-N 1 0 393.289 2.046 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)C[C@H]21 ZINC000648109073 651774653 /nfs/dbraw/zinc/77/46/53/651774653.db2.gz SUASPZPTMPOSCS-LERXQTSPSA-N 1 0 390.281 2.490 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000570559910 651775154 /nfs/dbraw/zinc/77/51/54/651775154.db2.gz QLWUGPPZJSJCPY-CABCVRRESA-N 1 0 387.571 2.138 20 0 GEADRO CC(C)(CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC(F)(F)F ZINC000612926021 651776230 /nfs/dbraw/zinc/77/62/30/651776230.db2.gz IRBZQYMQVPOFJW-SNVBAGLBSA-N 1 0 378.361 2.100 20 0 GEADRO O=C(CCNC(=O)N[C@H]1CC12CC[NH2+]CC2)Nc1ccc(Br)cc1 ZINC000612970700 651777407 /nfs/dbraw/zinc/77/74/07/651777407.db2.gz LCKYCGZYUFCBNE-AWEZNQCLSA-N 1 0 395.301 2.219 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000570630077 651779376 /nfs/dbraw/zinc/77/93/76/651779376.db2.gz JDIGOBPWQYBTQX-OAHLLOKOSA-N 1 0 399.285 2.099 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)[C@@H]2C1 ZINC000613330807 651783472 /nfs/dbraw/zinc/78/34/72/651783472.db2.gz XRAVATFHVJXBHW-TVQRCGJNSA-N 1 0 379.258 2.197 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000735501693 651784942 /nfs/dbraw/zinc/78/49/42/651784942.db2.gz ZXIHQIYCXBQFMN-JTQLQIEISA-N 1 0 395.294 2.169 20 0 GEADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000735590060 651787452 /nfs/dbraw/zinc/78/74/52/651787452.db2.gz OHSGCNOYDPONSJ-UHFFFAOYSA-N 1 0 395.859 2.288 20 0 GEADRO CS(=O)(=O)C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000570744821 651788402 /nfs/dbraw/zinc/78/84/02/651788402.db2.gz AEDCSCCNWNFNOD-XJKSGUPXSA-N 1 0 379.444 2.269 20 0 GEADRO CS(=O)(=O)C[C@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000570744819 651788412 /nfs/dbraw/zinc/78/84/12/651788412.db2.gz AEDCSCCNWNFNOD-CJNGLKHVSA-N 1 0 379.444 2.269 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000648710026 651795803 /nfs/dbraw/zinc/79/58/03/651795803.db2.gz LNBWLEUUCRLEMI-OAHLLOKOSA-N 1 0 380.432 2.143 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000570858675 651796004 /nfs/dbraw/zinc/79/60/04/651796004.db2.gz PYHWITGIKYFCTA-UHFFFAOYSA-N 1 0 380.539 2.356 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000648718734 651796363 /nfs/dbraw/zinc/79/63/63/651796363.db2.gz AXNNOYAVMGDNQF-QGZVFWFLSA-N 1 0 380.330 2.185 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1c(F)ccc(Br)c1OC ZINC000648733500 651798360 /nfs/dbraw/zinc/79/83/60/651798360.db2.gz WPQBIHDODBFVNA-UHFFFAOYSA-N 1 0 377.254 2.295 20 0 GEADRO CN(CC(=O)NC(C)(C)CCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000570902027 651799074 /nfs/dbraw/zinc/79/90/74/651799074.db2.gz SJKBQDLGRAETMC-UHFFFAOYSA-N 1 0 395.978 2.259 20 0 GEADRO C[C@@H]1[C@H](C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000648761677 651800142 /nfs/dbraw/zinc/80/01/42/651800142.db2.gz OCNZXQBXFFZTDJ-IUODEOHRSA-N 1 0 382.302 2.025 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(Br)c1OC ZINC000648769865 651800703 /nfs/dbraw/zinc/80/07/03/651800703.db2.gz LKBVWULMHAAUMH-NSHDSACASA-N 1 0 389.265 2.437 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2s1 ZINC000735887677 651800974 /nfs/dbraw/zinc/80/09/74/651800974.db2.gz WGPQBTFFDHWAMF-LLVKDONJSA-N 1 0 378.523 2.415 20 0 GEADRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000570987488 651803667 /nfs/dbraw/zinc/80/36/67/651803667.db2.gz ZUYTYPZEPWHDAT-ZDUSSCGKSA-N 1 0 380.432 2.298 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nc12 ZINC000648860461 651806464 /nfs/dbraw/zinc/80/64/64/651806464.db2.gz LDIOGTNCZUROPN-IUODEOHRSA-N 1 0 379.302 2.404 20 0 GEADRO O=C(CNC(=O)[C@H]1SCCc2sccc21)NCC[NH+]1CCCCCC1 ZINC000571033270 651807030 /nfs/dbraw/zinc/80/70/30/651807030.db2.gz ITJXDGCRSWTWLM-KRWDZBQOSA-N 1 0 381.567 2.187 20 0 GEADRO C[N@H+](C[C@H](O)CNCc1ccc(I)c(Cl)c1)C1CC1 ZINC000571040498 651807649 /nfs/dbraw/zinc/80/76/49/651807649.db2.gz FQJYCBMCLHJLCD-GFCCVEGCSA-N 1 0 394.684 2.489 20 0 GEADRO CO[C@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@H](C[NH3+])C1 ZINC000571073946 651809711 /nfs/dbraw/zinc/80/97/11/651809711.db2.gz NYYKJAGXCGGRGJ-HOTGVXAUSA-N 1 0 393.285 2.213 20 0 GEADRO CCCN(C(=O)CNC(=O)c1ccc(Br)s1)[C@H]1CC[N@H+](C)C1 ZINC000648997545 651810155 /nfs/dbraw/zinc/81/01/55/651810155.db2.gz RTYWWSNAWWDCQF-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000614071872 651811690 /nfs/dbraw/zinc/81/16/90/651811690.db2.gz WCPWBIAYWFEMSA-AEFFLSMTSA-N 1 0 381.314 2.394 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000614131200 651812927 /nfs/dbraw/zinc/81/29/27/651812927.db2.gz CQFBOVKVTVKKPN-LBPRGKRZSA-N 1 0 382.302 2.478 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000649068490 651813251 /nfs/dbraw/zinc/81/32/51/651813251.db2.gz HVHKTFCVLQSMFN-UHOFOFEASA-N 1 0 394.313 2.131 20 0 GEADRO Cc1ccc(F)c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1Br ZINC000649070403 651813796 /nfs/dbraw/zinc/81/37/96/651813796.db2.gz NXMQDSDNOGXXMR-LLVKDONJSA-N 1 0 386.265 2.089 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000649069489 651813982 /nfs/dbraw/zinc/81/39/82/651813982.db2.gz UYYBQJMZUYCSLY-UHOFOFEASA-N 1 0 394.313 2.131 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H](NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000571163498 651814306 /nfs/dbraw/zinc/81/43/06/651814306.db2.gz XLTYTXUOTYBJQJ-HYSWKAIVSA-N 1 0 383.286 2.471 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCCc1cccc(Br)c1 ZINC000649074356 651815149 /nfs/dbraw/zinc/81/51/49/651815149.db2.gz GWSUESUUNIEHLM-CQSZACIVSA-N 1 0 396.329 2.350 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Cl)ccc1Br ZINC000649078601 651815581 /nfs/dbraw/zinc/81/55/81/651815581.db2.gz MGZQQEHMKYKHRT-SNVBAGLBSA-N 1 0 388.693 2.295 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000571194365 651816393 /nfs/dbraw/zinc/81/63/93/651816393.db2.gz FDDHAURVKRQLLM-RISCZKNCSA-N 1 0 383.286 2.491 20 0 GEADRO O=C(NCCOc1cccc(Cl)c1Cl)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000571202944 651816776 /nfs/dbraw/zinc/81/67/76/651816776.db2.gz NQFOZXGAXPYFBB-LLVKDONJSA-N 1 0 384.267 2.146 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000571198774 651816914 /nfs/dbraw/zinc/81/69/14/651816914.db2.gz YSBHBGLPMRQLNE-LBPRGKRZSA-N 1 0 394.440 2.108 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1COc3ccc(Br)cc31)CCO2 ZINC000649131256 651816994 /nfs/dbraw/zinc/81/69/94/651816994.db2.gz FGAAHXJYVBZTTM-HNNXBMFYSA-N 1 0 395.297 2.248 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1n[nH]c3ccc(Br)cc31)CCO2 ZINC000649133067 651817002 /nfs/dbraw/zinc/81/70/02/651817002.db2.gz YVMRJGHMWXXMKB-UHFFFAOYSA-N 1 0 393.285 2.262 20 0 GEADRO COC[C@@]1(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)CCC[NH2+]1 ZINC000571277038 651822479 /nfs/dbraw/zinc/82/24/79/651822479.db2.gz HLMGMUMYHYOAHM-KRWDZBQOSA-N 1 0 393.285 2.133 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649342053 651823409 /nfs/dbraw/zinc/82/34/09/651823409.db2.gz IVDAWXMBESXYMT-JFOHDYCDSA-N 1 0 378.314 2.405 20 0 GEADRO O=C(C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)N1CCCC1 ZINC000571315810 651825294 /nfs/dbraw/zinc/82/52/94/651825294.db2.gz OFWFAZCWCKOLTI-LBPRGKRZSA-N 1 0 391.693 2.054 20 0 GEADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@H]4CC[NH2+][C@H]4C3)cs2)cc1 ZINC000649419527 651825734 /nfs/dbraw/zinc/82/57/34/651825734.db2.gz UFTAVADXIAFDCE-DYVFJYSZSA-N 1 0 377.535 2.397 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000649477009 651827311 /nfs/dbraw/zinc/82/73/11/651827311.db2.gz ZOOVPALICJEHPV-CYBMUJFWSA-N 1 0 392.352 2.394 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)cc2s1 ZINC000737262884 651844940 /nfs/dbraw/zinc/84/49/40/651844940.db2.gz OTUPYASWEACYKF-UHFFFAOYSA-N 1 0 378.523 2.415 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000571644045 651845941 /nfs/dbraw/zinc/84/59/41/651845941.db2.gz JBSNXKNTYHBDKX-STQMWFEESA-N 1 0 381.523 2.082 20 0 GEADRO COc1cc(F)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000614987281 651847549 /nfs/dbraw/zinc/84/75/49/651847549.db2.gz PMJJUULPALDPCB-GJZGRUSLSA-N 1 0 392.493 2.174 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)CC(F)(F)F)s1 ZINC000571754112 651851347 /nfs/dbraw/zinc/85/13/47/651851347.db2.gz HPNPPQGBFORUCC-NSHDSACASA-N 1 0 388.477 2.224 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CCC2(CC[NH2+]2)CC1 ZINC000571761798 651851996 /nfs/dbraw/zinc/85/19/96/651851996.db2.gz ZAIMFRWPMRWCIY-UHFFFAOYSA-N 1 0 376.507 2.354 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1=O ZINC000650305745 651855061 /nfs/dbraw/zinc/85/50/61/651855061.db2.gz IWQAFQYWDUBMGP-HZPDHXFCSA-N 1 0 384.307 2.329 20 0 GEADRO COC(=O)[C@](C)(NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000571809733 651855558 /nfs/dbraw/zinc/85/55/58/651855558.db2.gz YYUCOWKESHUNLX-CXAGYDPISA-N 1 0 375.296 2.426 20 0 GEADRO COc1nc(C)c(Br)cc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000615263170 651858011 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Cc1cc(N2C[C@H](C(=O)NCCC3(C[NH3+])CC3)CC2=O)ccc1Br ZINC000653217714 651935534 /nfs/dbraw/zinc/93/55/34/651935534.db2.gz CLATWLFGJXVVDJ-CYBMUJFWSA-N 1 0 394.313 2.356 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000653182876 651935737 /nfs/dbraw/zinc/93/57/37/651935737.db2.gz YNUGFHKUJWFXIA-YWPYICTPSA-N 1 0 398.301 2.217 20 0 GEADRO C[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)[C@H]1CC[NH3+] ZINC000653236086 651936688 /nfs/dbraw/zinc/93/66/88/651936688.db2.gz ISEPLZWCROSIBE-NEPJUHHUSA-N 1 0 386.290 2.090 20 0 GEADRO COc1ncc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000653259215 651937267 /nfs/dbraw/zinc/93/72/67/651937267.db2.gz TVODQNFUJXDDQO-CFVMTHIKSA-N 1 0 398.301 2.354 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2sc(C)c(Br)c2OC)C[C@H]1C[NH3+] ZINC000653247352 651937302 /nfs/dbraw/zinc/93/73/02/651937302.db2.gz XZUBVNUZYLBZIM-NXEZZACHSA-N 1 0 377.304 2.263 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000617356519 651939887 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O[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1ccccc1Br ZINC000655733681 652008967 /nfs/dbraw/zinc/00/89/67/652008967.db2.gz PPNQARLYBCWGOH-HOTGVXAUSA-N 1 0 399.329 2.032 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](C)CS(C)(=O)=O ZINC000655737660 652009870 /nfs/dbraw/zinc/00/98/70/652009870.db2.gz QELRUHJESHQBRH-LLVKDONJSA-N 1 0 386.315 2.466 20 0 GEADRO Cc1cc(I)cnc1NC(=S)NC1CC[NH+](C)CC1 ZINC000743032360 652009912 /nfs/dbraw/zinc/00/99/12/652009912.db2.gz QUXRRACKDFCFQH-UHFFFAOYSA-N 1 0 390.294 2.375 20 0 GEADRO O=C(COC(=O)c1cc(Br)cs1)NC1CC[NH+](C2CC2)CC1 ZINC000743042041 652010785 /nfs/dbraw/zinc/01/07/85/652010785.db2.gz KJODWRHAPITMSV-UHFFFAOYSA-N 1 0 387.299 2.410 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000655784634 652011770 /nfs/dbraw/zinc/01/17/70/652011770.db2.gz FMAXPEUKAVILPX-OAHLLOKOSA-N 1 0 391.269 2.180 20 0 GEADRO CC(C)[NH2+]CCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000574277125 652013052 /nfs/dbraw/zinc/01/30/52/652013052.db2.gz PVAUPFPYBNJUEW-CQSZACIVSA-N 1 0 390.933 2.422 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CCCO1 ZINC000574276000 652013126 /nfs/dbraw/zinc/01/31/26/652013126.db2.gz AOJUSJKCICTKNE-IAGOWNOFSA-N 1 0 396.329 2.162 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000655958487 652015407 /nfs/dbraw/zinc/01/54/07/652015407.db2.gz HPUMORMENGNKOA-MRVPVSSYSA-N 1 0 377.672 2.303 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C[C@H]1c1ccc(Br)cc1 ZINC000574318986 652015802 /nfs/dbraw/zinc/01/58/02/652015802.db2.gz LZANQFJYKKPXBN-BQDHKBFISA-N 1 0 395.297 2.162 20 0 GEADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cnn3cc(Br)cnc23)C[C@@H](C)C1 ZINC000574474984 652023943 /nfs/dbraw/zinc/02/39/43/652023943.db2.gz XMFGAPTXKDCLLH-SLEUVZQESA-N 1 0 392.301 2.294 20 0 GEADRO Cn1cnnc1Sc1ccc(NC(=O)COC2CC[NH2+]CC2)cc1Cl ZINC000574510704 652026128 /nfs/dbraw/zinc/02/61/28/652026128.db2.gz VVMPHERIIOIFDJ-UHFFFAOYSA-N 1 0 381.889 2.327 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1Cl ZINC000618658434 652026764 /nfs/dbraw/zinc/02/67/64/652026764.db2.gz XMHQHONGDCWWEM-CYBMUJFWSA-N 1 0 385.917 2.124 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000574521696 652027085 /nfs/dbraw/zinc/02/70/85/652027085.db2.gz ZXGMCAUYSGJDMZ-KGLIPLIRSA-N 1 0 385.917 2.173 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000656251384 652027829 /nfs/dbraw/zinc/02/78/29/652027829.db2.gz JVRDPFSWWOJVMZ-CQSZACIVSA-N 1 0 393.329 2.442 20 0 GEADRO O=S1(=O)C[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)c2ccccc21 ZINC000574566912 652030562 /nfs/dbraw/zinc/03/05/62/652030562.db2.gz WGMLLZMAPQDQCC-HIFRSBDPSA-N 1 0 381.881 2.240 20 0 GEADRO CC1(C)CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c2cc(Br)ccc21 ZINC000618857049 652034596 /nfs/dbraw/zinc/03/45/96/652034596.db2.gz ODRDKCGIUNLREM-INIZCTEOSA-N 1 0 378.314 2.463 20 0 GEADRO CC[N@@H+]1CCN(C(=O)COc2cccc(I)c2)C[C@@H]1C ZINC000618855995 652034635 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CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CCC1 ZINC000575116969 652063583 /nfs/dbraw/zinc/06/35/83/652063583.db2.gz UHBYRVGCDZYBAB-AWEZNQCLSA-N 1 0 379.444 2.413 20 0 GEADRO C[C@@H](CNS(=O)(=O)Cc1cc(F)ccc1Br)[N@H+](C)C1CC1 ZINC000656893967 652063793 /nfs/dbraw/zinc/06/37/93/652063793.db2.gz KFVIPKABOJMLCR-JTQLQIEISA-N 1 0 379.295 2.490 20 0 GEADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ncccc1Br ZINC000656930491 652066105 /nfs/dbraw/zinc/06/61/05/652066105.db2.gz JMAIKWMIDCLQFY-JHJVBQTASA-N 1 0 390.347 2.489 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000575180977 652067133 /nfs/dbraw/zinc/06/71/33/652067133.db2.gz JXTCXPVVISSQAI-NXEZZACHSA-N 1 0 390.709 2.303 20 0 GEADRO C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000656946480 652071545 /nfs/dbraw/zinc/07/15/45/652071545.db2.gz BGEDQPFPQICDJV-GFCCVEGCSA-N 1 0 383.436 2.030 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)CC(=O)Nc1ccc(Br)cc1 ZINC000575781588 652077158 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O=C(CC1CCCC1)NCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000575862257 652083325 /nfs/dbraw/zinc/08/33/25/652083325.db2.gz ZFKWSRIEUSQDCG-MRXNPFEDSA-N 1 0 399.329 2.475 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)Cc3cc(F)ccc3Br)[C@@H]2C1 ZINC000657018139 652088429 /nfs/dbraw/zinc/08/84/29/652088429.db2.gz NXPLGGNEWILFFE-XHDPSFHLSA-N 1 0 391.306 2.444 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000576031605 652092059 /nfs/dbraw/zinc/09/20/59/652092059.db2.gz GIHXUGQKPSQDOL-OAHLLOKOSA-N 1 0 387.933 2.097 20 0 GEADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000657042701 652092450 /nfs/dbraw/zinc/09/24/50/652092450.db2.gz YNPKGBQZCHHKDE-ZDUSSCGKSA-N 1 0 386.480 2.385 20 0 GEADRO COCC[NH+](CCOC)C1CCN(c2cc(SC)nc(SC)n2)CC1 ZINC000576052762 652093288 /nfs/dbraw/zinc/09/32/88/652093288.db2.gz URQRWOXUCXIZHB-UHFFFAOYSA-N 1 0 386.587 2.484 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCSc1ccccc1)c1cccs1 ZINC000576056570 652093844 /nfs/dbraw/zinc/09/38/44/652093844.db2.gz 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Cc1nc(-c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)s2)cs1 ZINC000576331942 652107363 /nfs/dbraw/zinc/10/73/63/652107363.db2.gz DLHURKPYMMMXIW-VXGBXAGGSA-N 1 0 378.523 2.040 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(c2cccc(Br)c2)CC1 ZINC000576344578 652108412 /nfs/dbraw/zinc/10/84/12/652108412.db2.gz XIWPHTWTTMDIFS-MRXNPFEDSA-N 1 0 394.313 2.023 20 0 GEADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000657091654 652111196 /nfs/dbraw/zinc/11/11/96/652111196.db2.gz NVYQVIYWZXSOHQ-UHFFFAOYSA-N 1 0 388.386 2.358 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000576411765 652115086 /nfs/dbraw/zinc/11/50/86/652115086.db2.gz HSHXEUVLDDPERK-UHFFFAOYSA-N 1 0 377.279 2.480 20 0 GEADRO Cc1nc(CS(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000657108221 652115908 /nfs/dbraw/zinc/11/59/08/652115908.db2.gz UWFWMBNDMSBLFS-UHFFFAOYSA-N 1 0 380.539 2.178 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000576438842 652118337 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GEADRO Cc1c(Br)cncc1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000657328574 652161133 /nfs/dbraw/zinc/16/11/33/652161133.db2.gz AFLSTYGJQQZRPR-ZDUSSCGKSA-N 1 0 395.253 2.411 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cncc(Br)c3C)C2=O)n(C)n1 ZINC000657378538 652163280 /nfs/dbraw/zinc/16/32/80/652163280.db2.gz LQJVDWUUSOSRMA-CQSZACIVSA-N 1 0 378.274 2.090 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCc1cc(OC)ccc1Br ZINC000577030103 652163871 /nfs/dbraw/zinc/16/38/71/652163871.db2.gz MXBASYIEFJMTEY-UHFFFAOYSA-N 1 0 379.320 2.219 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1c(F)cncc1Br ZINC000657465017 652166196 /nfs/dbraw/zinc/16/61/96/652166196.db2.gz VBSHKTUHYNFCLO-YGRLFVJLSA-N 1 0 394.310 2.181 20 0 GEADRO Cn1cc(Br)c(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)n1 ZINC000577162775 652166696 /nfs/dbraw/zinc/16/66/96/652166696.db2.gz BWMYOUHMKULWCW-UHFFFAOYSA-N 1 0 382.237 2.289 20 0 GEADRO CC(C)(C)n1nnc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)n1 ZINC000657486938 652167046 /nfs/dbraw/zinc/16/70/46/652167046.db2.gz MKZISQXGFFWJMK-UHFFFAOYSA-N 1 0 396.293 2.034 20 0 GEADRO COc1cc(NC(=O)C(=O)NCCC[NH+](C)C)c(Cl)cc1Br ZINC000657506111 652167874 /nfs/dbraw/zinc/16/78/74/652167874.db2.gz YQDCKRVFLJGZAR-UHFFFAOYSA-N 1 0 392.681 2.118 20 0 GEADRO O=C(C[C@@H]1COCC[NH2+]1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000577215888 652170620 /nfs/dbraw/zinc/17/06/20/652170620.db2.gz YSHDGVKMTPKSQL-QGZVFWFLSA-N 1 0 386.323 2.453 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)c1cccnc1Oc1cccc(Br)c1 ZINC000577220585 652171074 /nfs/dbraw/zinc/17/10/74/652171074.db2.gz JXGFURAQKWDMKF-CQSZACIVSA-N 1 0 392.253 2.355 20 0 GEADRO CC[NH+]1CCN(CCCNC(=S)NCc2ccc(Br)cc2)CC1 ZINC000747646508 652172357 /nfs/dbraw/zinc/17/23/57/652172357.db2.gz IZVIFWADLMDSHU-UHFFFAOYSA-N 1 0 399.402 2.441 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=S)NCc1ccc(Br)cc1 ZINC000747651820 652173032 /nfs/dbraw/zinc/17/30/32/652173032.db2.gz ZIVWBPIPWKJYDP-CYBMUJFWSA-N 1 0 385.375 2.049 20 0 GEADRO CC(C)Cn1nccc1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657564397 652173249 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Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028676 652177054 /nfs/dbraw/zinc/17/70/54/652177054.db2.gz UQDSXCDBZFEQAE-KBXCAEBGSA-N 1 0 394.313 2.056 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000657597670 652178241 /nfs/dbraw/zinc/17/82/41/652178241.db2.gz BHLRJKDLDSHECI-LRDDRELGSA-N 1 0 376.266 2.277 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H](CO)C1CCCC1)c1ccc(Br)cc1 ZINC000577309105 652178539 /nfs/dbraw/zinc/17/85/39/652178539.db2.gz XKSJMOJETAJGTN-HNNXBMFYSA-N 1 0 376.316 2.364 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000577366198 652181867 /nfs/dbraw/zinc/18/18/67/652181867.db2.gz OCUNIKASUHXVMP-KBMXLJTQSA-N 1 0 399.329 2.425 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000657630117 652182016 /nfs/dbraw/zinc/18/20/16/652182016.db2.gz UMLQCGOSKGDLKT-LBPRGKRZSA-N 1 0 398.276 2.436 20 0 GEADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000747888636 652183947 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OC[C@@]1(C[NH2+]Cc2ccc(Br)o2)COCCN1Cc1ccccc1 ZINC000657746650 652200269 /nfs/dbraw/zinc/20/02/69/652200269.db2.gz ZMLHNIPIOWGIGD-SFHVURJKSA-N 1 0 395.297 2.395 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000577683543 652207058 /nfs/dbraw/zinc/20/70/58/652207058.db2.gz VYKRZUBZPVVOGQ-UHFFFAOYSA-N 1 0 382.555 2.399 20 0 GEADRO CN1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)[C@@H](C[NH3+])C1 ZINC000577724856 652210862 /nfs/dbraw/zinc/21/08/62/652210862.db2.gz FZQDJLRSASMANH-INIZCTEOSA-N 1 0 395.345 2.155 20 0 GEADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000577726138 652211034 /nfs/dbraw/zinc/21/10/34/652211034.db2.gz NYNCKHCSGGSEIX-CQSZACIVSA-N 1 0 384.318 2.319 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Br)cc1-n1cnnn1 ZINC000623015913 652214195 /nfs/dbraw/zinc/21/41/95/652214195.db2.gz BHRIOYAKVDYXNH-UHFFFAOYSA-N 1 0 393.289 2.031 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)CC[NH2+]C3CC3)C2=O)ccc1Br ZINC000577767382 652214353 /nfs/dbraw/zinc/21/43/53/652214353.db2.gz AHWORHSGGAXEHZ-OAHLLOKOSA-N 1 0 380.286 2.121 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623018271 652215070 /nfs/dbraw/zinc/21/50/70/652215070.db2.gz BALZHMNXHPCQFN-CYBMUJFWSA-N 1 0 393.289 2.029 20 0 GEADRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(Br)c[nH]c2=O)C[C@H](C)O1 ZINC000623020171 652215819 /nfs/dbraw/zinc/21/58/19/652215819.db2.gz AYVQVFAJDWLXSZ-RYUDHWBXSA-N 1 0 386.290 2.169 20 0 GEADRO CSc1cc(Cl)ccc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000657935539 652217831 /nfs/dbraw/zinc/21/78/31/652217831.db2.gz DZHQAQQNRMDKLV-UHFFFAOYSA-N 1 0 381.889 2.397 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000657955480 652220759 /nfs/dbraw/zinc/22/07/59/652220759.db2.gz NDCHKKBUFXBWNA-VIFPVBQESA-N 1 0 376.682 2.416 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000577849810 652222018 /nfs/dbraw/zinc/22/20/18/652222018.db2.gz GWIFMRUVOYKWCP-NSHDSACASA-N 1 0 377.869 2.248 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000657966085 652222846 /nfs/dbraw/zinc/22/28/46/652222846.db2.gz JZRPTSDMKKCLHA-KRWDZBQOSA-N 1 0 398.276 2.389 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)Cn3cncn3)C2=O)ccc1Br ZINC000657980975 652224573 /nfs/dbraw/zinc/22/45/73/652224573.db2.gz UJNPRQZUPKJBGK-DOMZBBRYSA-N 1 0 378.274 2.133 20 0 GEADRO CC[C@@H]1CN(CC)CCN1C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657992485 652226711 /nfs/dbraw/zinc/22/67/11/652226711.db2.gz LLNRILUFDMDKPG-LLVKDONJSA-N 1 0 386.265 2.469 20 0 GEADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000577889393 652227024 /nfs/dbraw/zinc/22/70/24/652227024.db2.gz NZZGTWZWJLKBEG-HNNXBMFYSA-N 1 0 393.285 2.254 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccccc2SC(F)F)CCSC1 ZINC000748985613 652228992 /nfs/dbraw/zinc/22/89/92/652228992.db2.gz KOLJIYDROWBXRZ-MRXNPFEDSA-N 1 0 389.493 2.493 20 0 GEADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)C1(c2ccccc2Br)CC1 ZINC000577961840 652232910 /nfs/dbraw/zinc/23/29/10/652232910.db2.gz DXSOHIUFMUELTF-GOSISDBHSA-N 1 0 379.298 2.054 20 0 GEADRO COC[C@@]1(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)CCC[NH2+]1 ZINC000578006194 652235072 /nfs/dbraw/zinc/23/50/72/652235072.db2.gz ZMZVAYGDOHRJNE-KRWDZBQOSA-N 1 0 393.285 2.133 20 0 GEADRO O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578011520 652235460 /nfs/dbraw/zinc/23/54/60/652235460.db2.gz UPOKZEHKBFBELC-HLLBOEOZSA-N 1 0 378.314 2.264 20 0 GEADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@@H]2CCCO[C@H]21 ZINC000658092263 652235814 /nfs/dbraw/zinc/23/58/14/652235814.db2.gz LEHFCPRDCNSGOC-NWANDNLSSA-N 1 0 382.302 2.367 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658119528 652237158 /nfs/dbraw/zinc/23/71/58/652237158.db2.gz FZOXHEXIZLYJQI-LBPRGKRZSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000658122989 652238152 /nfs/dbraw/zinc/23/81/52/652238152.db2.gz YQYYBUOAPDYUTJ-SECBINFHSA-N 1 0 378.420 2.337 20 0 GEADRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623454101 652238667 /nfs/dbraw/zinc/23/86/67/652238667.db2.gz TYYIJHHZYLRJLM-LBPRGKRZSA-N 1 0 390.311 2.058 20 0 GEADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000658209825 652243248 /nfs/dbraw/zinc/24/32/48/652243248.db2.gz XPHZKRVNOCJIMM-CQSZACIVSA-N 1 0 388.555 2.456 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1cccc(F)c1I ZINC000578139213 652246776 /nfs/dbraw/zinc/24/67/76/652246776.db2.gz CQJIBPGFWBVPJH-UHFFFAOYSA-N 1 0 385.180 2.089 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1cc(Br)ccc1F ZINC000578142081 652247719 /nfs/dbraw/zinc/24/77/19/652247719.db2.gz ACDLQUVMWKXQSG-AWEZNQCLSA-N 1 0 375.282 2.340 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000658260763 652248092 /nfs/dbraw/zinc/24/80/92/652248092.db2.gz DQLURYANHKBLFX-GFCCVEGCSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000578167880 652249591 /nfs/dbraw/zinc/24/95/91/652249591.db2.gz SAXVQMCBKRLIHK-ZETCQYMHSA-N 1 0 382.180 2.212 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000658296582 652250379 /nfs/dbraw/zinc/25/03/79/652250379.db2.gz IACUSXASNYNJNZ-OLZOCXBDSA-N 1 0 384.318 2.236 20 0 GEADRO COc1nccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000623645115 652251185 /nfs/dbraw/zinc/25/11/85/652251185.db2.gz ORMOYFBEMYSDJJ-QGZVFWFLSA-N 1 0 378.270 2.257 20 0 GEADRO Cc1n[nH]c(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1Br ZINC000749399152 652251281 /nfs/dbraw/zinc/25/12/81/652251281.db2.gz NBRJGTPHYQHFRN-BETUJISGSA-N 1 0 398.349 2.111 20 0 GEADRO COc1ncncc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623645264 652251330 /nfs/dbraw/zinc/25/13/30/652251330.db2.gz VJDIDWVZMVOANI-QGZVFWFLSA-N 1 0 378.270 2.257 20 0 GEADRO Fc1cccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1Br ZINC000623651870 652252045 /nfs/dbraw/zinc/25/20/45/652252045.db2.gz XVAWNWANFZKZHQ-LBPRGKRZSA-N 1 0 391.248 2.394 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1C(F)(F)F ZINC000578236384 652254957 /nfs/dbraw/zinc/25/49/57/652254957.db2.gz NSOKHODZPRYIMV-JTQLQIEISA-N 1 0 382.404 2.144 20 0 GEADRO CCN(C(=O)C(=O)Nc1cccc(Br)c1COC)[C@@H]1CC[N@H+](C)C1 ZINC000658358125 652255444 /nfs/dbraw/zinc/25/54/44/652255444.db2.gz UDKILUQPOQXHDA-GFCCVEGCSA-N 1 0 398.301 2.087 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000658354610 652255457 /nfs/dbraw/zinc/25/54/57/652255457.db2.gz BZNQJWYEIUKCDX-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO CN1CCOC[C@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000623712903 652255512 /nfs/dbraw/zinc/25/55/12/652255512.db2.gz OJCDQCKEROESOR-SNVBAGLBSA-N 1 0 379.096 2.027 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1COCCN1C ZINC000623711360 652255548 /nfs/dbraw/zinc/25/55/48/652255548.db2.gz BXHLAVCSLBUHJN-KRWDZBQOSA-N 1 0 379.302 2.363 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244749 652255789 /nfs/dbraw/zinc/25/57/89/652255789.db2.gz IFILUNCKNJXPCN-QWHCGFSZSA-N 1 0 381.464 2.280 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(F)c(Br)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000658361625 652256024 /nfs/dbraw/zinc/25/60/24/652256024.db2.gz MLKITGZBPDDEIA-SECBINFHSA-N 1 0 390.228 2.218 20 0 GEADRO CCN(C(=O)C(=O)Nc1c(C)ccc(F)c1Br)[C@H]1CC[N@H+](C)C1 ZINC000658362009 652256507 /nfs/dbraw/zinc/25/65/07/652256507.db2.gz QQMDERHFHVLONH-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000658364813 652257371 /nfs/dbraw/zinc/25/73/71/652257371.db2.gz FMHQKSZIJSIYRN-SECBINFHSA-N 1 0 381.267 2.017 20 0 GEADRO COc1ccc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)c(Br)c1 ZINC000578261422 652257478 /nfs/dbraw/zinc/25/74/78/652257478.db2.gz KWHRBGMFLLALEK-UHFFFAOYSA-N 1 0 386.334 2.413 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000658371774 652258754 /nfs/dbraw/zinc/25/87/54/652258754.db2.gz OWJTXCIBHSTPQY-GFCCVEGCSA-N 1 0 395.294 2.215 20 0 GEADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC000749606795 652259017 /nfs/dbraw/zinc/25/90/17/652259017.db2.gz URMQGDCKUKJYLH-INIZCTEOSA-N 1 0 380.535 2.431 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000658378053 652259987 /nfs/dbraw/zinc/25/99/87/652259987.db2.gz PPOOHMOYGZMPQT-TXEJJXNPSA-N 1 0 389.315 2.078 20 0 GEADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Cl)c(Cl)cc1Br ZINC000658379011 652260743 /nfs/dbraw/zinc/26/07/43/652260743.db2.gz IKJISFSXKSSCKJ-ZVVJDGAVSA-N 1 0 386.098 2.252 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000658380928 652261196 /nfs/dbraw/zinc/26/11/96/652261196.db2.gz LFALJEWCRBQAAD-VHSXEESVSA-N 1 0 395.294 2.393 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)CCc3ccccc3Cl)CC2)C1 ZINC000658382456 652261907 /nfs/dbraw/zinc/26/19/07/652261907.db2.gz JVJSSEITHMWGBT-SJLPKXTDSA-N 1 0 386.945 2.431 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)CCc2ccccc2Cl)CC1 ZINC000658382548 652261929 /nfs/dbraw/zinc/26/19/29/652261929.db2.gz OYBQUHXJOWBJGY-MSOLQXFVSA-N 1 0 386.945 2.431 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1Cl ZINC000578321945 652262281 /nfs/dbraw/zinc/26/22/81/652262281.db2.gz BRNXKYWZOTWHSH-LLVKDONJSA-N 1 0 397.324 2.297 20 0 GEADRO CO[C@H](CS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000658391570 652264698 /nfs/dbraw/zinc/26/46/98/652264698.db2.gz PDEXKXDAEFWYKV-KBRIMQKVSA-N 1 0 376.469 2.001 20 0 GEADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000658394560 652265171 /nfs/dbraw/zinc/26/51/71/652265171.db2.gz LTAFRYPOMPDTSV-UHFFFAOYSA-N 1 0 383.670 2.353 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000624044979 652266963 /nfs/dbraw/zinc/26/69/63/652266963.db2.gz KIVPSJDPSKBZDI-CVEARBPZSA-N 1 0 394.313 2.264 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C)[NH+](C)C ZINC000658424493 652268975 /nfs/dbraw/zinc/26/89/75/652268975.db2.gz BDAFREYEPUCMAC-JTQLQIEISA-N 1 0 383.905 2.197 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F)[NH+](C)C ZINC000658425106 652269811 /nfs/dbraw/zinc/26/98/11/652269811.db2.gz DVNXBUWTGQGMRT-MRVPVSSYSA-N 1 0 378.217 2.122 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[NH+](C)C ZINC000658427762 652270253 /nfs/dbraw/zinc/27/02/53/652270253.db2.gz PAAWDMRINHCQPY-LLVKDONJSA-N 1 0 382.302 2.333 20 0 GEADRO CSc1ccc(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)cc1Cl ZINC000658427765 652270304 /nfs/dbraw/zinc/27/03/04/652270304.db2.gz QBMNSGNLCHYLBS-UHFFFAOYSA-N 1 0 386.949 2.000 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)n2)s1 ZINC000658429761 652270843 /nfs/dbraw/zinc/27/08/43/652270843.db2.gz WGOPGYQVWMBYSP-VIFPVBQESA-N 1 0 381.527 2.278 20 0 GEADRO O=C(NCC[NH+]1CCC1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000578424830 652271217 /nfs/dbraw/zinc/27/12/17/652271217.db2.gz BOXPOACWYVLYRI-UHFFFAOYSA-N 1 0 378.274 2.140 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000749899263 652271605 /nfs/dbraw/zinc/27/16/05/652271605.db2.gz RRNDWCYMMKISGY-HZPDHXFCSA-N 1 0 380.945 2.394 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cn1 ZINC000624137507 652272843 /nfs/dbraw/zinc/27/28/43/652272843.db2.gz MQAQKCUWODLUAU-ZLKJLUDKSA-N 1 0 376.320 2.355 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000624195511 652275437 /nfs/dbraw/zinc/27/54/37/652275437.db2.gz KNUVYLFXUBJRPY-KHIZAZIESA-N 1 0 394.269 2.220 20 0 GEADRO C[C@H](NC(=O)COc1cccc(I)c1)[C@H]1CCC[NH2+]C1 ZINC000578520599 652276140 /nfs/dbraw/zinc/27/61/40/652276140.db2.gz NUHJPFANHQCNGR-RYUDHWBXSA-N 1 0 388.249 2.174 20 0 GEADRO COC[C@]1(C)CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000578593190 652280324 /nfs/dbraw/zinc/28/03/24/652280324.db2.gz XOJZJVGFHVFTBR-RHSMWYFYSA-N 1 0 381.270 2.439 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624289627 652280454 /nfs/dbraw/zinc/28/04/54/652280454.db2.gz OJZCQGUBNFUMKQ-HNNXBMFYSA-N 1 0 381.325 2.431 20 0 GEADRO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C1 ZINC000624285472 652280690 /nfs/dbraw/zinc/28/06/90/652280690.db2.gz UGGDBMLSBPTACT-MRXNPFEDSA-N 1 0 382.917 2.279 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)N2CC[NH+](CCCCO)CC2)ccc1Br ZINC000750052433 652280505 /nfs/dbraw/zinc/28/05/05/652280505.db2.gz BDJWBPLGTANNCR-HNNXBMFYSA-N 1 0 398.345 2.475 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000624362239 652283135 /nfs/dbraw/zinc/28/31/35/652283135.db2.gz LJXCITPZECBYLQ-ZWNOBZJWSA-N 1 0 377.279 2.269 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c(Cl)cc21 ZINC000624357126 652283248 /nfs/dbraw/zinc/28/32/48/652283248.db2.gz GWPZVNJBRSFLPK-HNNXBMFYSA-N 1 0 387.933 2.243 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000624376566 652284570 /nfs/dbraw/zinc/28/45/70/652284570.db2.gz VIPSVYPBBGLOFS-SNVBAGLBSA-N 1 0 393.200 2.407 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000624376565 652284723 /nfs/dbraw/zinc/28/47/23/652284723.db2.gz VIPSVYPBBGLOFS-JTQLQIEISA-N 1 0 393.200 2.407 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC12CCOCC2 ZINC000578649813 652285669 /nfs/dbraw/zinc/28/56/69/652285669.db2.gz MLPTWEYFQHSDOF-SWLSCSKDSA-N 1 0 395.297 2.139 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000658542224 652285842 /nfs/dbraw/zinc/28/58/42/652285842.db2.gz YGTQLOKCXGMLMN-UHFFFAOYSA-N 1 0 394.313 2.093 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000624390739 652287284 /nfs/dbraw/zinc/28/72/84/652287284.db2.gz HPAFUAKAASHWHG-ONGXEEELSA-N 1 0 386.823 2.496 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3ncsc3c2)CC[C@H]1C(F)(F)F ZINC000624391418 652287781 /nfs/dbraw/zinc/28/77/81/652287781.db2.gz XDASMAFTPODICL-GXSJLCMTSA-N 1 0 379.429 2.444 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000624392633 652289620 /nfs/dbraw/zinc/28/96/20/652289620.db2.gz VUOKAUXQTPZSFU-RKDXNWHRSA-N 1 0 391.337 2.248 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000624392547 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377.503 2.124 20 0 GEADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@H]1CCC(=O)N1 ZINC000624762848 652301959 /nfs/dbraw/zinc/30/19/59/652301959.db2.gz KIYPNSXPYKHRQG-CZUORRHYSA-N 1 0 396.329 2.254 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000578891250 652301942 /nfs/dbraw/zinc/30/19/42/652301942.db2.gz KQGSXLWNFNQWTE-NSHDSACASA-N 1 0 397.324 2.297 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000658708940 652304451 /nfs/dbraw/zinc/30/44/51/652304451.db2.gz XHEHMXMDINIVKY-GFCCVEGCSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000578953650 652305953 /nfs/dbraw/zinc/30/59/53/652305953.db2.gz IZPJFRJUHSFPPI-RYUDHWBXSA-N 1 0 384.299 2.195 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000578970903 652307977 /nfs/dbraw/zinc/30/79/77/652307977.db2.gz FOOMGUJBAIYHKX-CQSZACIVSA-N 1 0 388.281 2.498 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000624918645 652310483 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CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000579128834 652318958 /nfs/dbraw/zinc/31/89/58/652318958.db2.gz RWLCJSADJXTSQP-QAPCUYQASA-N 1 0 397.313 2.167 20 0 GEADRO COCCN(CC[NH+](C)C)Cc1cn(-c2ccccc2Br)nn1 ZINC000579172057 652322140 /nfs/dbraw/zinc/32/21/40/652322140.db2.gz IMXQJGRAERRJEE-UHFFFAOYSA-N 1 0 382.306 2.040 20 0 GEADRO COc1ncccc1CC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000579223571 652326696 /nfs/dbraw/zinc/32/66/96/652326696.db2.gz BIIVGTDHMSKIKE-OAHLLOKOSA-N 1 0 381.270 2.425 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000579245357 652328581 /nfs/dbraw/zinc/32/85/81/652328581.db2.gz OTIYEUALNOQSKQ-ZJUUUORDSA-N 1 0 380.539 2.361 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000579333701 652331919 /nfs/dbraw/zinc/33/19/19/652331919.db2.gz WHDMZDSHKOGWJP-MLGOLLRUSA-N 1 0 395.345 2.275 20 0 GEADRO Cc1cc(C)c(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c(Br)c1 ZINC000659003744 652336836 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C[C@@]([NH3+])(C(=O)NCCCOC[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000579467571 652339789 /nfs/dbraw/zinc/33/97/89/652339789.db2.gz GVDLLZPWBDPNLM-WBVHZDCISA-N 1 0 385.302 2.325 20 0 GEADRO O=C(NCc1ccc(Cl)s1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659071237 652340164 /nfs/dbraw/zinc/34/01/64/652340164.db2.gz IRUMKQOQBPSZPG-CQSZACIVSA-N 1 0 379.869 2.317 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659078937 652340492 /nfs/dbraw/zinc/34/04/92/652340492.db2.gz WHSDNFNIIPMQDV-BDAKNGLRSA-N 1 0 390.228 2.252 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659076881 652340520 /nfs/dbraw/zinc/34/05/20/652340520.db2.gz HQMYUPQVTCUALE-CYBMUJFWSA-N 1 0 394.313 2.284 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CCCC1 ZINC000659097611 652342965 /nfs/dbraw/zinc/34/29/65/652342965.db2.gz BXXZKCOIVQESAH-UHFFFAOYSA-N 1 0 375.803 2.310 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)c2cc(Br)ccc21 ZINC000659100981 652343452 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CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000625469940 652347485 /nfs/dbraw/zinc/34/74/85/652347485.db2.gz FEXFINPPERIVIF-UHFFFAOYSA-N 1 0 377.432 2.183 20 0 GEADRO O=C(CC[NH+]1CCN(Cc2cn[nH]c2)CC1)Nc1ccc(Br)cc1 ZINC000625474131 652348105 /nfs/dbraw/zinc/34/81/05/652348105.db2.gz ITTBMVQHYVPBCI-UHFFFAOYSA-N 1 0 392.301 2.319 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCc1cc(F)c(Br)cc1F ZINC000625499447 652350182 /nfs/dbraw/zinc/35/01/82/652350182.db2.gz LJBQUFHBDGLAAK-UHFFFAOYSA-N 1 0 385.274 2.489 20 0 GEADRO CC(C)(C)N1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1=O ZINC000579703608 652350983 /nfs/dbraw/zinc/35/09/83/652350983.db2.gz PBGQACKRXYJRNF-KBPBESRZSA-N 1 0 385.302 2.178 20 0 GEADRO C[C@H](CNC(=O)c1cc(I)c(F)cc1F)C[NH+](C)C ZINC000579744591 652352356 /nfs/dbraw/zinc/35/23/56/652352356.db2.gz DAWLFBLHAWDPBK-MRVPVSSYSA-N 1 0 382.192 2.497 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000625529590 652352645 /nfs/dbraw/zinc/35/26/45/652352645.db2.gz 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C[C@H](Oc1ccccc1Br)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000580719901 652390018 /nfs/dbraw/zinc/39/00/18/652390018.db2.gz CRVHYPBDUUYEBV-AWEZNQCLSA-N 1 0 386.334 2.216 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000660156191 652391032 /nfs/dbraw/zinc/39/10/32/652391032.db2.gz KINGZKLDKVICDZ-INIZCTEOSA-N 1 0 390.933 2.218 20 0 GEADRO Cc1cc(C)c(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000580751398 652391108 /nfs/dbraw/zinc/39/11/08/652391108.db2.gz UBJIQSHCHREQGH-GOSISDBHSA-N 1 0 380.535 2.280 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(F)c(Br)c1 ZINC000626413407 652391607 /nfs/dbraw/zinc/39/16/07/652391607.db2.gz LZRLPISSNYOZBT-ZDUSSCGKSA-N 1 0 387.253 2.050 20 0 GEADRO COc1c(Br)cc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1Br ZINC000580800804 652392843 /nfs/dbraw/zinc/39/28/43/652392843.db2.gz QJSUUUZGPIDKSQ-VXGBXAGGSA-N 1 0 395.091 2.412 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)C(F)(F)F ZINC000626465522 652393638 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NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccc(Br)c1F ZINC000626613468 652397444 /nfs/dbraw/zinc/39/74/44/652397444.db2.gz NSCCCLHYLRGPHP-LBPRGKRZSA-N 1 0 387.253 2.050 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000580952576 652398430 /nfs/dbraw/zinc/39/84/30/652398430.db2.gz MBENDWFCAWVCMG-OCCSQVGLSA-N 1 0 380.844 2.135 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000753138809 652400213 /nfs/dbraw/zinc/40/02/13/652400213.db2.gz UTQRJCGGOBAIAR-BXUZGUMPSA-N 1 0 387.311 2.362 20 0 GEADRO C[C@H]1CN(CC[N@H+](CCO)Cc2cc(Br)cs2)C[C@H](C)O1 ZINC000660410994 652401238 /nfs/dbraw/zinc/40/12/38/652401238.db2.gz KDNGEZHIKHOUND-STQMWFEESA-N 1 0 377.348 2.414 20 0 GEADRO COc1c(O)cccc1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000581098600 652401832 /nfs/dbraw/zinc/40/18/32/652401832.db2.gz GXYSJVKNJJTTBL-CYBMUJFWSA-N 1 0 382.507 2.263 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)COc2cccc(I)c2)C1 ZINC000581129981 652403120 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Cc1c(Br)cccc1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000582430768 652450074 /nfs/dbraw/zinc/45/00/74/652450074.db2.gz HQKFVQYUEOHVOG-DOMZBBRYSA-N 1 0 382.302 2.102 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124493 652452041 /nfs/dbraw/zinc/45/20/41/652452041.db2.gz JUSCPLAEGPMZEE-UHFFFAOYSA-N 1 0 385.277 2.454 20 0 GEADRO CC[C@@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)c1cc(F)cc(Br)c1 ZINC000582478285 652452133 /nfs/dbraw/zinc/45/21/33/652452133.db2.gz TYBIVTWOTASUTC-CQSZACIVSA-N 1 0 386.265 2.423 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000582552126 652454923 /nfs/dbraw/zinc/45/49/23/652454923.db2.gz XMLFPTOIQWXUDA-UHFFFAOYSA-N 1 0 391.331 2.147 20 0 GEADRO Fc1ccc([C@H]2CN(C[C@@H]3CCC4(C[NH2+]C4)O3)CCO2)cc1Br ZINC000662279025 652455111 /nfs/dbraw/zinc/45/51/11/652455111.db2.gz OQTIQPRRFFASCR-XJKSGUPXSA-N 1 0 385.277 2.483 20 0 GEADRO CNS(=O)(=O)c1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1 ZINC000662272169 652455217 /nfs/dbraw/zinc/45/52/17/652455217.db2.gz LSMJQJFIEOBMQB-GOSISDBHSA-N 1 0 379.913 2.395 20 0 GEADRO [NH3+][C@@H]1CN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC[C@H]1F ZINC000662321098 652455632 /nfs/dbraw/zinc/45/56/32/652455632.db2.gz DBXFAOQJOJWHGV-GHMZBOCLSA-N 1 0 378.761 2.206 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662349368 652456834 /nfs/dbraw/zinc/45/68/34/652456834.db2.gz WQZUWLXFGCLOEM-UHFFFAOYSA-N 1 0 378.274 2.237 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662410155 652459841 /nfs/dbraw/zinc/45/98/41/652459841.db2.gz HWKIINYAVKODJP-GFCCVEGCSA-N 1 0 392.301 2.326 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000582715912 652460305 /nfs/dbraw/zinc/46/03/05/652460305.db2.gz AWIVRPSIKGSSCM-UHFFFAOYSA-N 1 0 396.329 2.101 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CCO1 ZINC000662432374 652460490 /nfs/dbraw/zinc/46/04/90/652460490.db2.gz QGKCMQDQBZFAGV-ZUZCIYMTSA-N 1 0 380.242 2.292 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CCO1 ZINC000662431257 652460518 /nfs/dbraw/zinc/46/05/18/652460518.db2.gz IQLMVYXZJBMSSK-LRDDRELGSA-N 1 0 382.302 2.238 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000582725659 652460488 /nfs/dbraw/zinc/46/04/88/652460488.db2.gz UVCSWIBRZFONNL-NXEZZACHSA-N 1 0 379.707 2.333 20 0 GEADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000582721429 652460508 /nfs/dbraw/zinc/46/05/08/652460508.db2.gz JEJUATNWCWNYGM-INIZCTEOSA-N 1 0 396.285 2.268 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000582725556 652460558 /nfs/dbraw/zinc/46/05/58/652460558.db2.gz QMQGYOPYYUUTDM-LSDHHAIUSA-N 1 0 378.416 2.380 20 0 GEADRO CC(C)[C@](C)(CO)[NH2+]CC(=O)Nc1ccccc1I ZINC000582755255 652461719 /nfs/dbraw/zinc/46/17/19/652461719.db2.gz KGTMTKXPDIZCKF-AWEZNQCLSA-N 1 0 376.238 2.226 20 0 GEADRO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCc2ccc(Br)cc21 ZINC000662458550 652462210 /nfs/dbraw/zinc/46/22/10/652462210.db2.gz XWGNOEWPHKRUKP-UHFFFAOYSA-N 1 0 376.258 2.168 20 0 GEADRO C[NH+](C)CCOCCNC(=O)c1c(O)cnc2c(Br)cccc21 ZINC000582877365 652464948 /nfs/dbraw/zinc/46/49/48/652464948.db2.gz RQFHNBLFIWESPP-UHFFFAOYSA-N 1 0 382.258 2.011 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@H]1CCC[NH2+]C1 ZINC000582894096 652465688 /nfs/dbraw/zinc/46/56/88/652465688.db2.gz ATBHQPAMQNZEGT-NSHDSACASA-N 1 0 384.274 2.019 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1ccc2ccccc2c1Br ZINC000582899595 652466121 /nfs/dbraw/zinc/46/61/21/652466121.db2.gz IIRIVAHDAROFHJ-CYBMUJFWSA-N 1 0 399.310 2.259 20 0 GEADRO O=C(NCc1cc(F)cc(Br)c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662524672 652466155 /nfs/dbraw/zinc/46/61/55/652466155.db2.gz MUKHUEPLERIKDJ-AWEZNQCLSA-N 1 0 396.264 2.424 20 0 GEADRO CC[C@@H]([NH2+]C)C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000662527623 652466158 /nfs/dbraw/zinc/46/61/58/652466158.db2.gz DKOFGSUDHDRYNP-CYBMUJFWSA-N 1 0 381.274 2.241 20 0 GEADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662544758 652467276 /nfs/dbraw/zinc/46/72/76/652467276.db2.gz DRGIHBVRGHBNQO-OQPBUACISA-N 1 0 395.232 2.252 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662544756 652467402 /nfs/dbraw/zinc/46/74/02/652467402.db2.gz DRGIHBVRGHBNQO-ISVAXAHUSA-N 1 0 395.232 2.252 20 0 GEADRO Cc1ccc(-c2nsc(NC(=O)c3cnnn3C3CC[NH2+]CC3)n2)s1 ZINC000662547459 652467754 /nfs/dbraw/zinc/46/77/54/652467754.db2.gz VMYYJDJADISSGI-UHFFFAOYSA-N 1 0 375.483 2.343 20 0 GEADRO CCOC(=O)c1sc2ncc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc2c1C ZINC000582946064 652468104 /nfs/dbraw/zinc/46/81/04/652468104.db2.gz CJLFLEHGZNJGOC-JTQLQIEISA-N 1 0 385.511 2.010 20 0 GEADRO CC(C)(CNC(=O)Nc1nc2cc(Br)ccn2n1)C[NH+]1CCCC1 ZINC000582948251 652468173 /nfs/dbraw/zinc/46/81/73/652468173.db2.gz MFXVTUQHUIAQBP-UHFFFAOYSA-N 1 0 395.305 2.735 20 0 GEADRO Cc1cccc(C(=O)NCC2(N3CCOCC3)CCOCC2)c1Br ZINC000582949248 652468182 /nfs/dbraw/zinc/46/81/82/652468182.db2.gz GQIQFRIMOGKFHS-UHFFFAOYSA-N 1 0 397.313 2.369 20 0 GEADRO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000662598089 652469285 /nfs/dbraw/zinc/46/92/85/652469285.db2.gz OUVQHTKIIDJRHW-HNNXBMFYSA-N 1 0 378.416 2.490 20 0 GEADRO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000662598090 652469289 /nfs/dbraw/zinc/46/92/89/652469289.db2.gz OUVQHTKIIDJRHW-OAHLLOKOSA-N 1 0 378.416 2.490 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000628739952 652469464 /nfs/dbraw/zinc/46/94/64/652469464.db2.gz OXEVOOGRZJUOIT-ZDUSSCGKSA-N 1 0 382.302 2.027 20 0 GEADRO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662642794 652469964 /nfs/dbraw/zinc/46/99/64/652469964.db2.gz GLZIEICLUOMROI-SWLSCSKDSA-N 1 0 375.778 2.104 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000662678106 652470422 /nfs/dbraw/zinc/47/04/22/652470422.db2.gz BLMAXCOXKNEPQG-KVIBHRHWSA-N 1 0 392.297 2.003 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)c1ncc(Br)cc1Br ZINC000662683853 652470765 /nfs/dbraw/zinc/47/07/65/652470765.db2.gz RTHWFTFPWCAGFT-UHFFFAOYSA-N 1 0 375.064 2.170 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CC[C@H](CN2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000662712306 652471106 /nfs/dbraw/zinc/47/11/06/652471106.db2.gz HVPBICIWAKAHAF-ACJLOTCBSA-N 1 0 394.313 2.094 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000583025172 652471514 /nfs/dbraw/zinc/47/15/14/652471514.db2.gz RCFNLXSZTOWQFV-BQBZGAKWSA-N 1 0 375.210 2.482 20 0 GEADRO CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662732903 652472083 /nfs/dbraw/zinc/47/20/83/652472083.db2.gz BWQLKVJBXPGENA-SCLBCKFNSA-N 1 0 396.329 2.386 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C1C[C@@H]3C[NH2+]C[C@H](C1)C3=O)C2 ZINC000662739347 652472412 /nfs/dbraw/zinc/47/24/12/652472412.db2.gz OLVKSQQEWIPVHH-AGUYFDCRSA-N 1 0 377.282 2.414 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662750514 652473214 /nfs/dbraw/zinc/47/32/14/652473214.db2.gz MTNJNTZIVRLCDZ-VIFPVBQESA-N 1 0 397.248 2.038 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCc2nc3cc(Cl)ccc3s2)n1 ZINC000662751850 652473220 /nfs/dbraw/zinc/47/32/20/652473220.db2.gz FJRPKDSSMIPDFB-UHFFFAOYSA-N 1 0 377.857 2.153 20 0 GEADRO CC1(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[NH2+]CC1 ZINC000662763862 652473538 /nfs/dbraw/zinc/47/35/38/652473538.db2.gz FGNXSFQTPIFBEZ-CABCVRRESA-N 1 0 382.302 2.428 20 0 GEADRO COC[C@](C)(O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000583140184 652474095 /nfs/dbraw/zinc/47/40/95/652474095.db2.gz QZMPLGIYYDEEQW-SWLSCSKDSA-N 1 0 396.709 2.219 20 0 GEADRO Cc1c2cc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)[nH]c2ccc1Br ZINC000662779523 652474155 /nfs/dbraw/zinc/47/41/55/652474155.db2.gz KSOWXEFUJBAWGK-CYBMUJFWSA-N 1 0 391.313 2.359 20 0 GEADRO O=C(NCCn1cc(Br)cn1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000583161829 652474690 /nfs/dbraw/zinc/47/46/90/652474690.db2.gz RDHFDMRDHNLXLY-UHFFFAOYSA-N 1 0 392.301 2.003 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662833824 652476117 /nfs/dbraw/zinc/47/61/17/652476117.db2.gz QWUKCEYVSOPCTA-CVEARBPZSA-N 1 0 382.302 2.428 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000662858340 652476260 /nfs/dbraw/zinc/47/62/60/652476260.db2.gz GOXZEBFNPGCXHT-ZDUSSCGKSA-N 1 0 376.682 2.449 20 0 GEADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862170 652476592 /nfs/dbraw/zinc/47/65/92/652476592.db2.gz FWUCTEHJSDEPKL-MEDUHNTESA-N 1 0 378.270 2.179 20 0 GEADRO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628969061 652476882 /nfs/dbraw/zinc/47/68/82/652476882.db2.gz LZMUBYKJBQRVMY-YGRLFVJLSA-N 1 0 396.340 2.040 20 0 GEADRO CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628969059 652476908 /nfs/dbraw/zinc/47/69/08/652476908.db2.gz LZMUBYKJBQRVMY-QMTHXVAHSA-N 1 0 396.340 2.040 20 0 GEADRO [NH3+]CCc1nc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cs1 ZINC000662871386 652477102 /nfs/dbraw/zinc/47/71/02/652477102.db2.gz ZMJNYRVUFXNTCV-UHFFFAOYSA-N 1 0 395.326 2.369 20 0 GEADRO COCCN1C(=O)C[C@H](N2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000583243831 652478429 /nfs/dbraw/zinc/47/84/29/652478429.db2.gz UWUVEFHOICZDGS-HIFRSBDPSA-N 1 0 381.270 2.012 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662924400 652478575 /nfs/dbraw/zinc/47/85/75/652478575.db2.gz ADCPYOIFSNFQGI-UHFFFAOYSA-N 1 0 384.318 2.382 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662925103 652478685 /nfs/dbraw/zinc/47/86/85/652478685.db2.gz MQTRJJWOWTVUJH-UHFFFAOYSA-N 1 0 394.313 2.136 20 0 GEADRO CCCc1c(C(=O)N[C@H](C)C[NH2+]C)nnn1Cc1cccc(Br)c1 ZINC000662958418 652479305 /nfs/dbraw/zinc/47/93/05/652479305.db2.gz AEDSOSOTSLQRMR-GFCCVEGCSA-N 1 0 394.317 2.379 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1c(F)ccc(C(F)(F)F)c1Br ZINC000629166048 652480430 /nfs/dbraw/zinc/48/04/30/652480430.db2.gz QIKNCLUJRFRGMJ-MRVPVSSYSA-N 1 0 399.182 2.403 20 0 GEADRO C[C@]1(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000663006732 652481170 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CC[C@@H](C[NH2+]C[C@@H](O)CN1CCOCC1)Cc1cccc(Br)c1 ZINC000583626587 652492167 /nfs/dbraw/zinc/49/21/67/652492167.db2.gz XPPFXLDBOXMEQJ-CRAIPNDOSA-N 1 0 385.346 2.301 20 0 GEADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000663309738 652493066 /nfs/dbraw/zinc/49/30/66/652493066.db2.gz CXWASWWIOMBJCZ-SECBINFHSA-N 1 0 397.163 2.237 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629558550 652493173 /nfs/dbraw/zinc/49/31/73/652493173.db2.gz JGZBHTMLKBJVJL-OAHLLOKOSA-N 1 0 384.318 2.132 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000583660775 652493240 /nfs/dbraw/zinc/49/32/40/652493240.db2.gz LVDNYQAGGBRISS-NSCUHMNNSA-N 1 0 389.449 2.017 20 0 GEADRO CC[NH+]1CCN(CCNc2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000663397458 652496958 /nfs/dbraw/zinc/49/69/58/652496958.db2.gz KHFJUKIWIYJQQU-UHFFFAOYSA-N 1 0 379.448 2.158 20 0 GEADRO Brc1ccc2nnc(N3CCC(CC[NH+]4CCOCC4)CC3)n2c1 ZINC000663480413 652501401 /nfs/dbraw/zinc/50/14/01/652501401.db2.gz 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[NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC[C@H]1F ZINC000663606143 652506192 /nfs/dbraw/zinc/50/61/92/652506192.db2.gz OMLUAZXYUUSLNU-NXEZZACHSA-N 1 0 383.729 2.075 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663606343 652506444 /nfs/dbraw/zinc/50/64/44/652506444.db2.gz YHMQEISKZKXNTA-RKDXNWHRSA-N 1 0 379.766 2.373 20 0 GEADRO C[C@@]1(NC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC[NH2+]C1 ZINC000663613441 652506641 /nfs/dbraw/zinc/50/66/41/652506641.db2.gz QRQMDLBJVWLHBI-CYBMUJFWSA-N 1 0 378.629 2.048 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(c3nc(C4CC4)ncc3Br)CC2)C1 ZINC000663615922 652506775 /nfs/dbraw/zinc/50/67/75/652506775.db2.gz OVCYUHWHKVPOPR-AWEZNQCLSA-N 1 0 380.334 2.333 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000584160774 652511570 /nfs/dbraw/zinc/51/15/70/652511570.db2.gz STPBJBKHROILGK-NHCYSSNCSA-N 1 0 384.249 2.031 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)NCc2c(C)cc(Br)cc2C)CC1 ZINC000584164449 652511930 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BBKNJXDUPDDNLS-OAHLLOKOSA-N 1 0 396.329 2.268 20 0 GEADRO COc1cc2[nH+]ccc(NC[C@]3(OCCO)CCOC3)c2cc1Br ZINC000664239504 652523664 /nfs/dbraw/zinc/52/36/64/652523664.db2.gz DGZQBEHWACGTIK-QGZVFWFLSA-N 1 0 397.269 2.008 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000584583492 652524240 /nfs/dbraw/zinc/52/42/40/652524240.db2.gz WZIBFIMLCFWTTG-ZDUSSCGKSA-N 1 0 377.913 2.319 20 0 GEADRO Cc1cc(NC(=O)CC[NH2+]Cc2nc3c(cccc3Br)[nH]2)no1 ZINC000584586151 652524267 /nfs/dbraw/zinc/52/42/67/652524267.db2.gz NBLWQNKOLAJRIA-UHFFFAOYSA-N 1 0 378.230 2.740 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCc2cc[nH]c(=O)c2C1)c1ccc(Br)cc1 ZINC000584589196 652524464 /nfs/dbraw/zinc/52/44/64/652524464.db2.gz DFZLWZRCLDYGBY-KRWDZBQOSA-N 1 0 376.254 2.309 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000584664615 652524970 /nfs/dbraw/zinc/52/49/70/652524970.db2.gz KXJFPTVWLOFHSD-GFCCVEGCSA-N 1 0 383.290 2.148 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1nc(C2CC2)ncc1Br ZINC000664313680 652526369 /nfs/dbraw/zinc/52/63/69/652526369.db2.gz BGLAVRYGRHRZCD-LBPRGKRZSA-N 1 0 398.349 2.118 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H](C)S1 ZINC000584707120 652526615 /nfs/dbraw/zinc/52/66/15/652526615.db2.gz VFDSBCKVOVXNML-AOOOYVTPSA-N 1 0 375.416 2.455 20 0 GEADRO O=C(NCc1ccc(Br)cc1Cl)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000584717123 652526890 /nfs/dbraw/zinc/52/68/90/652526890.db2.gz BSAWDJAXZUTJHE-LBPRGKRZSA-N 1 0 398.692 2.376 20 0 GEADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000584720439 652527184 /nfs/dbraw/zinc/52/71/84/652527184.db2.gz SWKKVSXWAKXHLS-MRVPVSSYSA-N 1 0 375.210 2.484 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H](c2cccc(Br)c2)C2CCC2)C1 ZINC000631634431 652529222 /nfs/dbraw/zinc/52/92/22/652529222.db2.gz JLJWMGLGGANRRN-CVEARBPZSA-N 1 0 388.327 2.430 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c2cc(Br)ccc21 ZINC000631700750 652531656 /nfs/dbraw/zinc/53/16/56/652531656.db2.gz NABVLAQWGUUGTO-WDEREUQCSA-N 1 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Cn1cc(Br)cc(NC(=O)C[N@H+](C)CCc2ccccc2)c1=O ZINC000635659608 652746647 /nfs/dbraw/zinc/74/66/47/652746647.db2.gz FUFRSKASVBBQQE-UHFFFAOYSA-N 1 0 378.270 2.261 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000635875594 652762793 /nfs/dbraw/zinc/76/27/93/652762793.db2.gz YVKJPFZTFFIZSZ-NSHDSACASA-N 1 0 379.258 2.457 20 0 GEADRO C[NH+](C)CC1(C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1 ZINC000635907350 652765083 /nfs/dbraw/zinc/76/50/83/652765083.db2.gz SPBNRKXYKBELCQ-UHFFFAOYSA-N 1 0 378.416 2.067 20 0 GEADRO C[N@H+](Cc1ccc2nc(NC(=O)N3CCS(=O)CC3)sc2c1)C1CC1 ZINC000596998870 652766915 /nfs/dbraw/zinc/76/69/15/652766915.db2.gz NYRATVPJZPTAHG-UHFFFAOYSA-N 1 0 378.523 2.487 20 0 GEADRO CC1CC[NH+](CCNC(=O)C(=O)N(C)Cc2ccccc2Br)CC1 ZINC000670983346 652773540 /nfs/dbraw/zinc/77/35/40/652773540.db2.gz CUPCIYPZWYDZMK-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cc(Br)cs1 ZINC000671158283 652781722 /nfs/dbraw/zinc/78/17/22/652781722.db2.gz 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CS[C@H]1CN(S(=O)(=O)c2cncc(OC(C)C)c2)C[C@H]1[NH+]1CCCC1 ZINC000599280224 652858598 /nfs/dbraw/zinc/85/85/98/652858598.db2.gz ZKCUYXWYTPLXNU-SJORKVTESA-N 1 0 385.555 2.069 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)N1CCC[C@@](O)(CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000637472070 652861880 /nfs/dbraw/zinc/86/18/80/652861880.db2.gz DKDOUVSYCMYZOG-WBVHZDCISA-N 1 0 390.311 2.125 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)NCc1cncnc1N)c1ccc(Cl)c(Cl)c1 ZINC000637471627 652861899 /nfs/dbraw/zinc/86/18/99/652861899.db2.gz AKYHLRZEWWTYHQ-CQSZACIVSA-N 1 0 383.283 2.468 20 0 GEADRO CC(C)[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C(N)=O ZINC000637471636 652861928 /nfs/dbraw/zinc/86/19/28/652861928.db2.gz AUQNVPICNGUGCZ-KBPBESRZSA-N 1 0 375.300 2.405 20 0 GEADRO CN(C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CCN(C)C1=O ZINC000637471699 652861991 /nfs/dbraw/zinc/86/19/91/652861991.db2.gz BYSXAGUVFOBPCL-GJZGRUSLSA-N 1 0 387.311 2.468 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C[C@H]1C(N)=O 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20 0 GEADRO CC[NH+]1CCC(NC(=O)CN2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CC1 ZINC000674495248 652901349 /nfs/dbraw/zinc/90/13/49/652901349.db2.gz DJTPDUJOJLLWKL-RYUDHWBXSA-N 1 0 375.357 2.260 20 0 GEADRO Cc1cc(C(=O)NCCOCCC[NH3+])nn1-c1ccc(Br)cc1 ZINC000638660090 652901501 /nfs/dbraw/zinc/90/15/01/652901501.db2.gz PNLOGFGWGUEOBO-UHFFFAOYSA-N 1 0 381.274 2.038 20 0 GEADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638685191 652902534 /nfs/dbraw/zinc/90/25/34/652902534.db2.gz BJWOGEBFDSYPRG-JKSUJKDBSA-N 1 0 394.313 2.289 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000638697554 652903262 /nfs/dbraw/zinc/90/32/62/652903262.db2.gz CHIXZMUBLCJTKB-QEORTHHSSA-N 1 0 396.329 2.253 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638830011 652908058 /nfs/dbraw/zinc/90/80/58/652908058.db2.gz AHVFPSBJVALKHQ-VTEJDAQPSA-N 1 0 387.281 2.317 20 0 GEADRO COC(=O)CN1CCC([NH2+]Cc2cc(F)c(Br)cc2F)CC1 ZINC000600201484 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CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnn4cc(Br)cnc34)[C@H]2C1 ZINC000639186987 652926417 /nfs/dbraw/zinc/92/64/17/652926417.db2.gz WMBISTUSBLVDDY-VBNZEHGJSA-N 1 0 392.301 2.228 20 0 GEADRO CN1CC[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)C[C@H]1c1ccc(Br)cc1 ZINC000639278200 652929903 /nfs/dbraw/zinc/92/99/03/652929903.db2.gz ANIICTUCAPMOQT-PMPSAXMXSA-N 1 0 394.313 2.321 20 0 GEADRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639312773 652931936 /nfs/dbraw/zinc/93/19/36/652931936.db2.gz JYXHHQFACQCWBQ-CQSZACIVSA-N 1 0 388.269 2.358 20 0 GEADRO COc1cc(CN[C@@H]2CC[NH2+][C@H]2C)cc(I)c1OC ZINC000600775283 652933425 /nfs/dbraw/zinc/93/34/25/652933425.db2.gz TYOCMKUSGCIIHH-JOYOIKCWSA-N 1 0 376.238 2.148 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)o1 ZINC000639359823 652934610 /nfs/dbraw/zinc/93/46/10/652934610.db2.gz DHHPCMVQWLJRDG-BYCMXARLSA-N 1 0 383.267 2.117 20 0 GEADRO CCOc1cc(C[NH2+]C2CN(c3ccncn3)C2)cc(Br)c1O ZINC000639391064 652935781 /nfs/dbraw/zinc/93/57/81/652935781.db2.gz UWTBUPLPYWHXSE-UHFFFAOYSA-N 1 0 379.258 2.322 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2F)C[C@H]1C[NH3+] ZINC000600859337 652936151 /nfs/dbraw/zinc/93/61/51/652936151.db2.gz HFKAVFKZAKZUMU-RKDXNWHRSA-N 1 0 377.201 2.489 20 0 GEADRO O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000639473974 652937720 /nfs/dbraw/zinc/93/77/20/652937720.db2.gz QKMHOHHRVJGBOA-SZMVWBNQSA-N 1 0 389.323 2.264 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639505390 652939242 /nfs/dbraw/zinc/93/92/42/652939242.db2.gz NLQDJVFHWBQAPP-HZPDHXFCSA-N 1 0 377.312 2.122 20 0 GEADRO COc1cc(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)cnc1Cl ZINC000767721148 652945825 /nfs/dbraw/zinc/94/58/25/652945825.db2.gz JBIZQWIEDCRAFB-UHFFFAOYSA-N 1 0 375.922 2.485 20 0 GEADRO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000639659808 652946895 /nfs/dbraw/zinc/94/68/95/652946895.db2.gz PKGPTOHFGABQSX-PVAVHDDUSA-N 1 0 375.296 2.138 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000639674627 652947605 /nfs/dbraw/zinc/94/76/05/652947605.db2.gz VSYOBHQDCKCLFN-DVOMOZLQSA-N 1 0 377.312 2.120 20 0 GEADRO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639666231 652947811 /nfs/dbraw/zinc/94/78/11/652947811.db2.gz LELLPNVCQRJZOX-HNNXBMFYSA-N 1 0 375.868 2.220 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000601017623 652948999 /nfs/dbraw/zinc/94/89/99/652948999.db2.gz JOOWGOHAAGEOJZ-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000639767561 652952669 /nfs/dbraw/zinc/95/26/69/652952669.db2.gz VFOUGUIRPKJEKA-INIZCTEOSA-N 1 0 395.352 2.156 20 0 GEADRO CC[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Cl)s1 ZINC000676096162 652953757 /nfs/dbraw/zinc/95/37/57/652953757.db2.gz IILUFLHQKDJJPH-LBPRGKRZSA-N 1 0 383.905 2.366 20 0 GEADRO Brc1ccc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)nc1 ZINC000639776841 652955207 /nfs/dbraw/zinc/95/52/07/652955207.db2.gz SYUNBFFLUHCYCS-INIZCTEOSA-N 1 0 386.359 2.484 20 0 GEADRO Nc1nnc([C@@H]2CCC[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000639823324 652957504 /nfs/dbraw/zinc/95/75/04/652957504.db2.gz BAGOGQTYTVEORN-PWSUYJOCSA-N 1 0 387.267 2.578 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000601294063 653085291 /nfs/dbraw/zinc/08/52/91/653085291.db2.gz MONXIJXSLBPXSA-COPLHBTASA-N 1 0 399.285 2.319 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1COCC[C@H]1O ZINC000601306496 653085791 /nfs/dbraw/zinc/08/57/91/653085791.db2.gz KDCLXNGFMRJQPW-NILFDRSVSA-N 1 0 375.250 2.352 20 0 GEADRO Nc1nnc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)o1 ZINC000639825376 653085955 /nfs/dbraw/zinc/08/59/55/653085955.db2.gz OSYWMUXWPWMHCG-PWSUYJOCSA-N 1 0 387.267 2.578 20 0 GEADRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1I ZINC000601335367 653086918 /nfs/dbraw/zinc/08/69/18/653086918.db2.gz SRCIFJNJPDZMEL-SWLSCSKDSA-N 1 0 399.276 2.304 20 0 GEADRO C[C@](O)(C[C@H](O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000639890328 653087579 /nfs/dbraw/zinc/08/75/79/653087579.db2.gz RYMBYSKFYJROON-FHWLQOOXSA-N 1 0 398.341 2.171 20 0 GEADRO C[N@@H+](C[C@H](O)CC1(O)CCC1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639920766 653088640 /nfs/dbraw/zinc/08/86/40/653088640.db2.gz XREWJMJNXQOKNH-CABCVRRESA-N 1 0 378.296 2.331 20 0 GEADRO CCOC(=O)c1sc([C@@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)nc1C ZINC000601369687 653088930 /nfs/dbraw/zinc/08/89/30/653088930.db2.gz OUBGBHLJLQLPGO-CYBMUJFWSA-N 1 0 389.543 2.095 20 0 GEADRO CCOC(=O)c1sc([C@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)nc1C ZINC000601369688 653089012 /nfs/dbraw/zinc/08/90/12/653089012.db2.gz OUBGBHLJLQLPGO-ZDUSSCGKSA-N 1 0 389.543 2.095 20 0 GEADRO COC[C@](C)(CO)[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000639949266 653089422 /nfs/dbraw/zinc/08/94/22/653089422.db2.gz LEZOPTFOALYMLQ-ZDUSSCGKSA-N 1 0 399.207 2.393 20 0 GEADRO C[NH+](C)C1(CNC(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000639969572 653091869 /nfs/dbraw/zinc/09/18/69/653091869.db2.gz ZVQCSYBMSUZEDE-UHFFFAOYSA-N 1 0 379.262 2.246 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000676564391 653100823 /nfs/dbraw/zinc/10/08/23/653100823.db2.gz AEUWXKBXXMELCK-SOUVJXGZSA-N 1 0 388.917 2.221 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC[N@@H+](C(C)C)CC1 ZINC000768136812 653101877 /nfs/dbraw/zinc/10/18/77/653101877.db2.gz CHTRYYQOOBYKAQ-HNNXBMFYSA-N 1 0 388.965 2.121 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000601556094 653110694 /nfs/dbraw/zinc/11/06/94/653110694.db2.gz CPLOQJIIEKNZJO-IUCAKERBSA-N 1 0 386.246 2.198 20 0 GEADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000640295297 653110767 /nfs/dbraw/zinc/11/07/67/653110767.db2.gz UCGDIMKRXXLQEW-NSHDSACASA-N 1 0 379.814 3.048 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000601556088 653111002 /nfs/dbraw/zinc/11/10/02/653111002.db2.gz CPLOQJIIEKNZJO-BDAKNGLRSA-N 1 0 386.246 2.198 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000640310760 653114859 /nfs/dbraw/zinc/11/48/59/653114859.db2.gz CJQZJTWEXREALN-OCCSQVGLSA-N 1 0 392.301 2.967 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000805426031 653115891 /nfs/dbraw/zinc/11/58/91/653115891.db2.gz HIAZVOSDXUDUDJ-NSHDSACASA-N 1 0 375.922 2.097 20 0 GEADRO Cn1cc(Br)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000640312311 653116281 /nfs/dbraw/zinc/11/62/81/653116281.db2.gz ZLUFVQVCWXUASI-FZMZJTMJSA-N 1 0 382.306 2.663 20 0 GEADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1nn(C)cc1Br)c1ccco1 ZINC000640315001 653118349 /nfs/dbraw/zinc/11/83/49/653118349.db2.gz LGJUPMCUBYYKHG-ZYHUDNBSSA-N 1 0 384.278 3.027 20 0 GEADRO Cn1cc(Br)c(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000640318126 653119983 /nfs/dbraw/zinc/11/99/83/653119983.db2.gz MTTOTMNUTREKNS-QGZVFWFLSA-N 1 0 392.301 2.969 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1nc2ccccc2cc1Br ZINC000640323173 653120503 /nfs/dbraw/zinc/12/05/03/653120503.db2.gz YWJOBRVPIVVGRV-CYBMUJFWSA-N 1 0 378.270 2.184 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640382991 653122918 /nfs/dbraw/zinc/12/29/18/653122918.db2.gz DGVQWVNTKBWJGD-MRVPVSSYSA-N 1 0 387.378 3.044 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640383272 653123348 /nfs/dbraw/zinc/12/33/48/653123348.db2.gz HPNMSIZMRAPLAA-UHFFFAOYSA-N 1 0 387.378 2.998 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000678106176 653127231 /nfs/dbraw/zinc/12/72/31/653127231.db2.gz FHKVNIYJNZDQCZ-XNJGSVPQSA-N 1 0 394.313 2.321 20 0 GEADRO Brc1ccc2ncc(CN3CC[NH+](C[C@H]4CCCO4)CC3)n2c1 ZINC000678125051 653127586 /nfs/dbraw/zinc/12/75/86/653127586.db2.gz OLSLJISHXYYOLD-MRXNPFEDSA-N 1 0 379.302 2.393 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000678113142 653127802 /nfs/dbraw/zinc/12/78/02/653127802.db2.gz URRUWIBMTKKXGW-JKSUJKDBSA-N 1 0 382.302 2.266 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(S(C)(=O)=O)cn1 ZINC000640531325 653129333 /nfs/dbraw/zinc/12/93/33/653129333.db2.gz VEIZBAJAWIEKRU-UHFFFAOYSA-N 1 0 382.511 2.142 20 0 GEADRO O[C@]1(Cn2cc(I)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000601959793 653133612 /nfs/dbraw/zinc/13/36/12/653133612.db2.gz RZFFDEZJVJDQRS-OAHLLOKOSA-N 1 0 383.233 2.125 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000771960275 653134728 /nfs/dbraw/zinc/13/47/28/653134728.db2.gz KKEZFACDQNJARO-LLVKDONJSA-N 1 0 395.294 2.312 20 0 GEADRO [NH3+][C@@H](c1cn(CC(=O)Nc2ccccc2Br)nn1)C1CCOCC1 ZINC000640768678 653137492 /nfs/dbraw/zinc/13/74/92/653137492.db2.gz GNAWRVUSLODVSN-MRXNPFEDSA-N 1 0 394.273 2.106 20 0 GEADRO CC[NH+](CC)CCOC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000772066661 653138921 /nfs/dbraw/zinc/13/89/21/653138921.db2.gz ZXQFVQASESYFHW-UHFFFAOYSA-N 1 0 396.278 2.490 20 0 GEADRO CC(C)[C@H](C)NC(=O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640798254 653139615 /nfs/dbraw/zinc/13/96/15/653139615.db2.gz PPNRSCYQGPBPPH-MEDUHNTESA-N 1 0 380.290 2.249 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000640801713 653139833 /nfs/dbraw/zinc/13/98/33/653139833.db2.gz XNVXLVKBHKDBFD-NWDGAFQWSA-N 1 0 378.274 2.392 20 0 GEADRO O=C(NC[C@@H]1CC1(Cl)Cl)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769016596 653140956 /nfs/dbraw/zinc/14/09/56/653140956.db2.gz NZIWXUJPLUGYDI-JYJNAYRXSA-N 1 0 386.323 2.362 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000640875828 653143201 /nfs/dbraw/zinc/14/32/01/653143201.db2.gz ZVXCRQSETQJYQQ-UOJCXKCYSA-N 1 0 397.313 2.320 20 0 GEADRO [NH3+][C@H](c1cn(Cc2cn3cc(Br)ccc3n2)nn1)C1CCOCC1 ZINC000640958572 653147566 /nfs/dbraw/zinc/14/75/66/653147566.db2.gz MSCHEFSQMKXZBL-INIZCTEOSA-N 1 0 391.273 2.163 20 0 GEADRO COc1ccc(Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)c(Br)c1OC ZINC000640988708 653148857 /nfs/dbraw/zinc/14/88/57/653148857.db2.gz CXTNFXPKMLMSQW-WFASDCNBSA-N 1 0 397.273 2.285 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000641041688 653152241 /nfs/dbraw/zinc/15/22/41/653152241.db2.gz KKAGSBUWVWVVIR-LBPRGKRZSA-N 1 0 392.301 2.266 20 0 GEADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)N[C@H]1CCC[NH2+]CC1 ZINC000641041551 653152305 /nfs/dbraw/zinc/15/23/05/653152305.db2.gz CYHMHTMISAQPPG-ZBFHGGJFSA-N 1 0 384.318 2.041 20 0 GEADRO COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H](C)[NH+](C)C ZINC000602158446 653152610 /nfs/dbraw/zinc/15/26/10/653152610.db2.gz UNGKROTUJOMZTH-YGRLFVJLSA-N 1 0 387.274 2.080 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000602177662 653154378 /nfs/dbraw/zinc/15/43/78/653154378.db2.gz BXRQPPRQWPLNOB-UHFFFAOYSA-N 1 0 391.331 2.071 20 0 GEADRO CC(C)SCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000806167576 653154723 /nfs/dbraw/zinc/15/47/23/653154723.db2.gz AOKAYDSPUXLHEE-CYBMUJFWSA-N 1 0 394.584 2.204 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000806170657 653154771 /nfs/dbraw/zinc/15/47/71/653154771.db2.gz YJEDXXIVHRSIJY-ZYHUDNBSSA-N 1 0 395.356 2.497 20 0 GEADRO [NH3+]CCOCc1cn(Cc2ncc(-c3ccc(Br)cc3)o2)nn1 ZINC000641072425 653154814 /nfs/dbraw/zinc/15/48/14/653154814.db2.gz HYMHZCCYRSGQFZ-UHFFFAOYSA-N 1 0 378.230 2.219 20 0 GEADRO Cc1ccc(Cn2cc(CCN3CCC([NH3+])CC3)nn2)c(Br)c1 ZINC000641100299 653155643 /nfs/dbraw/zinc/15/56/43/653155643.db2.gz KIFZEEOUBAQBAF-UHFFFAOYSA-N 1 0 378.318 2.363 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC000602185615 653155957 /nfs/dbraw/zinc/15/59/57/653155957.db2.gz SDLXYUROHYTFBN-VIFPVBQESA-N 1 0 387.299 2.481 20 0 GEADRO C[C@@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CC[NH+](C)CC1 ZINC000679887094 653157383 /nfs/dbraw/zinc/15/73/83/653157383.db2.gz KMTSNMDSLRSDTM-SNVBAGLBSA-N 1 0 396.285 2.240 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000679915474 653158725 /nfs/dbraw/zinc/15/87/25/653158725.db2.gz KLFSLQRNBHBJEE-NSHDSACASA-N 1 0 396.285 2.383 20 0 GEADRO COC[C@H]([NH3+])Cc1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000641122199 653159260 /nfs/dbraw/zinc/15/92/60/653159260.db2.gz BOFPYFFJIJKVCG-SNVBAGLBSA-N 1 0 391.216 2.207 20 0 GEADRO [NH3+]C[C@@H](O)CCc1cn(Cc2cccc3c(Br)cccc23)nn1 ZINC000641129373 653160153 /nfs/dbraw/zinc/16/01/53/653160153.db2.gz MAPNVJWOGHKWIU-AWEZNQCLSA-N 1 0 375.270 2.494 20 0 GEADRO COCC[NH2+]CCc1cn(Cc2nc3ccc(Br)cc3o2)nn1 ZINC000641131191 653161037 /nfs/dbraw/zinc/16/10/37/653161037.db2.gz VBHDBOSKHGNCIX-UHFFFAOYSA-N 1 0 380.246 2.009 20 0 GEADRO [NH3+][C@H](c1cn(Cc2nc3cc(Br)ccc3[nH]2)nn1)C1CCOCC1 ZINC000641161537 653163601 /nfs/dbraw/zinc/16/36/01/653163601.db2.gz DYKQZVFNWABOIW-INIZCTEOSA-N 1 0 391.273 2.392 20 0 GEADRO Cc1cc(Br)cn2c(CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cnc12 ZINC000680329743 653163831 /nfs/dbraw/zinc/16/38/31/653163831.db2.gz QFCIGLBWTSYNPB-DLBZAZTESA-N 1 0 393.329 2.436 20 0 GEADRO [NH3+]CCCCc1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164401 653164430 /nfs/dbraw/zinc/16/44/30/653164430.db2.gz JADZJUPIDUXYEU-OAHLLOKOSA-N 1 0 378.274 2.448 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@H]1n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641164213 653164455 /nfs/dbraw/zinc/16/44/55/653164455.db2.gz MBDIOMZIRPCFOL-MEDUHNTESA-N 1 0 390.285 2.319 20 0 GEADRO C[NH+]1CCN(Cc2cn(Cc3ccc(Br)c(F)c3F)nn2)CC1 ZINC000641170219 653165265 /nfs/dbraw/zinc/16/52/65/653165265.db2.gz WCXZMHVJOYTQDT-UHFFFAOYSA-N 1 0 386.244 2.115 20 0 GEADRO C[C@@H](c1ncc(Br)cn1)n1cc(COc2ccccc2C[NH3+])nn1 ZINC000641176739 653166715 /nfs/dbraw/zinc/16/67/15/653166715.db2.gz QQVINWINORUNEP-NSHDSACASA-N 1 0 389.257 2.478 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000680827396 653170153 /nfs/dbraw/zinc/17/01/53/653170153.db2.gz CYPQJFINRSNPJE-KRWDZBQOSA-N 1 0 381.314 2.444 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nn1)[C@@H]1CCCO1 ZINC000641219273 653170766 /nfs/dbraw/zinc/17/07/66/653170766.db2.gz FSXZHMHHIUSLQD-UHOFOFEASA-N 1 0 387.267 2.204 20 0 GEADRO CC[NH2+]Cc1cn(C[C@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000641213904 653170852 /nfs/dbraw/zinc/17/08/52/653170852.db2.gz KYTRTGGKZNWXNJ-LBPRGKRZSA-N 1 0 389.681 2.243 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000680844514 653171075 /nfs/dbraw/zinc/17/10/75/653171075.db2.gz NKDGEBYTQHFXNF-LBPRGKRZSA-N 1 0 383.290 2.097 20 0 GEADRO C[C@@H](CNC(=O)c1nccn2c(Br)cnc12)[N@@H+]1CCCC[C@H]1C ZINC000769692134 653171429 /nfs/dbraw/zinc/17/14/29/653171429.db2.gz LZIAUHQAOICBHQ-NEPJUHHUSA-N 1 0 380.290 2.485 20 0 GEADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000772944787 653172725 /nfs/dbraw/zinc/17/27/25/653172725.db2.gz AZDNEEHZFBTIMM-INIZCTEOSA-N 1 0 388.917 2.114 20 0 GEADRO C[C@@H](CNC(=O)c1nccn2c(Br)cnc12)[NH+]1CCC(C)CC1 ZINC000769725603 653173649 /nfs/dbraw/zinc/17/36/49/653173649.db2.gz RXOAYNDMHXJVCP-LBPRGKRZSA-N 1 0 380.290 2.342 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000681052731 653176286 /nfs/dbraw/zinc/17/62/86/653176286.db2.gz NXHHSNBBENHWSX-QWHCGFSZSA-N 1 0 378.464 2.219 20 0 GEADRO CCCn1c(CO)nn(CN2CC[NH+](CCc3cccs3)CC2)c1=S ZINC000769835547 653181161 /nfs/dbraw/zinc/18/11/61/653181161.db2.gz XWXXDIICMNVNPP-UHFFFAOYSA-N 1 0 381.571 2.196 20 0 GEADRO Cn1ccnc1Sc1ccc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1 ZINC000602442116 653181014 /nfs/dbraw/zinc/18/10/14/653181014.db2.gz VLWBCVCCOPYFMZ-VWLOTQADSA-N 1 0 378.523 2.011 20 0 GEADRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602443250 653181670 /nfs/dbraw/zinc/18/16/70/653181670.db2.gz BORSYGABBJXTDV-VDBVYFBLSA-N 1 0 376.444 2.253 20 0 GEADRO C[S@](=O)C1(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000602455408 653182500 /nfs/dbraw/zinc/18/25/00/653182500.db2.gz XIEIBOMWAVEJHX-BGJPBQGDSA-N 1 0 377.293 2.044 20 0 GEADRO Cc1c(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)cccc1OCC(F)(F)F ZINC000602456202 653182657 /nfs/dbraw/zinc/18/26/57/653182657.db2.gz VNXKQORHIZLVGT-RUZDIDTESA-N 1 0 378.416 2.375 20 0 GEADRO C[S@](=O)C1(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CC[NH2+]CC1 ZINC000602458604 653182990 /nfs/dbraw/zinc/18/29/90/653182990.db2.gz NCRJTCOFPLZGCS-DQEYMECFSA-N 1 0 384.567 2.173 20 0 GEADRO C[N@@H+]1CCCN(CCCNc2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641319529 653186219 /nfs/dbraw/zinc/18/62/19/653186219.db2.gz ALOMTVSTLYWEIC-UHFFFAOYSA-N 1 0 396.255 2.697 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000681592869 653186914 /nfs/dbraw/zinc/18/69/14/653186914.db2.gz LNUWZHHJMFMRHR-UHFFFAOYSA-N 1 0 381.318 2.224 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000602494736 653186934 /nfs/dbraw/zinc/18/69/34/653186934.db2.gz UCNCWKRJEZBEEZ-VKJFTORMSA-N 1 0 395.297 2.090 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)C[C@H]1c1ccc(Br)cc1 ZINC000602515595 653187581 /nfs/dbraw/zinc/18/75/81/653187581.db2.gz QTUMGYBJEDAPTO-HRCADAONSA-N 1 0 393.281 2.212 20 0 GEADRO C[NH+](C)CCN(C(=O)c1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000807266820 653188250 /nfs/dbraw/zinc/18/82/50/653188250.db2.gz GZSURWLYOUQRDI-UHFFFAOYSA-N 1 0 378.274 2.196 20 0 GEADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(I)cc2F)C1 ZINC000602532784 653188729 /nfs/dbraw/zinc/18/87/29/653188729.db2.gz XRNVBXQSFJJXIB-TVQRCGJNSA-N 1 0 378.185 2.136 20 0 GEADRO C[S@](=O)C1(C(=O)Nc2ccc(F)c(Br)c2F)CC[NH2+]CC1 ZINC000602536227 653188905 /nfs/dbraw/zinc/18/89/05/653188905.db2.gz RUJQCFIGNOIPLV-NRFANRHFSA-N 1 0 381.242 2.167 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]Cc2ncc(Cl)s2)CC1)C(F)(F)F ZINC000769914926 653190284 /nfs/dbraw/zinc/19/02/84/653190284.db2.gz POEWOBSLSLKRGB-UHFFFAOYSA-N 1 0 377.841 2.448 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000602553443 653190720 /nfs/dbraw/zinc/19/07/20/653190720.db2.gz KDIINLGGMPWLKD-ZENOOKHLSA-N 1 0 383.945 2.448 20 0 GEADRO CC[C@@H]([NH2+]Cc1ccc(I)s1)C(=O)N1CCOCC1 ZINC000602565522 653191198 /nfs/dbraw/zinc/19/11/98/653191198.db2.gz RRUMZGBOOJUNCL-LLVKDONJSA-N 1 0 394.278 2.080 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602580723 653192180 /nfs/dbraw/zinc/19/21/80/653192180.db2.gz ZEPJEFGPYPFNEA-JSGCOSHPSA-N 1 0 381.325 2.272 20 0 GEADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)[nH]c1C ZINC000602573223 653192280 /nfs/dbraw/zinc/19/22/80/653192280.db2.gz ZFHXWRVDQANBQE-CYBMUJFWSA-N 1 0 397.269 2.402 20 0 GEADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602589555 653192643 /nfs/dbraw/zinc/19/26/43/653192643.db2.gz FIALDHVLEIJONZ-VVYDWRJNSA-N 1 0 385.327 2.300 20 0 GEADRO CC1(C)[C@@H](CS(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1(F)F ZINC000641363489 653192713 /nfs/dbraw/zinc/19/27/13/653192713.db2.gz ANJFGNXASDWNPI-OAHLLOKOSA-N 1 0 380.501 2.184 20 0 GEADRO O=C(CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(I)cc1 ZINC000602592746 653192869 /nfs/dbraw/zinc/19/28/69/653192869.db2.gz SMHWUDNVUYYQNM-OKILXGFUSA-N 1 0 398.244 2.217 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(I)s1 ZINC000602625844 653195884 /nfs/dbraw/zinc/19/58/84/653195884.db2.gz VXFXLKOAHAXYIR-VXGBXAGGSA-N 1 0 397.278 2.263 20 0 GEADRO OCCCN1CCC[C@@H]1C[NH2+]Cc1ccc(I)s1 ZINC000602673738 653199632 /nfs/dbraw/zinc/19/96/32/653199632.db2.gz MVFMRSVVUPCIEH-LLVKDONJSA-N 1 0 380.295 2.289 20 0 GEADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(I)s2)CS1(=O)=O ZINC000602709734 653201663 /nfs/dbraw/zinc/20/16/63/653201663.db2.gz IVBDDSOVBDFNOZ-DTWKUNHWSA-N 1 0 385.292 2.408 20 0 GEADRO CO[C@H](C[NH2+]CCc1ccc(I)cc1)[C@@H]1CCOC1 ZINC000602716180 653202516 /nfs/dbraw/zinc/20/25/16/653202516.db2.gz AGZALWYXCGTUEV-UKRRQHHQSA-N 1 0 375.250 2.475 20 0 GEADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000807758659 653203309 /nfs/dbraw/zinc/20/33/09/653203309.db2.gz VLXFUYFAADNNAB-ARFHVFGLSA-N 1 0 383.945 2.459 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000682029756 653203601 /nfs/dbraw/zinc/20/36/01/653203601.db2.gz VLWWYXCKKFUENZ-MRXNPFEDSA-N 1 0 397.313 2.411 20 0 GEADRO Cn1cc(I)c(C(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000602775307 653206278 /nfs/dbraw/zinc/20/62/78/653206278.db2.gz HDDIKMASALCODW-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC1CS(=O)(=O)C1 ZINC000682498393 653215596 /nfs/dbraw/zinc/21/55/96/653215596.db2.gz MSJOLFFRKMSBDR-NSHDSACASA-N 1 0 378.416 2.447 20 0 GEADRO C[C@]12C[NH+](CC[S@](=O)c3cc(Cl)ccc3Cl)C[C@]1(C)C(=O)NC2=O ZINC000602937140 653216307 /nfs/dbraw/zinc/21/63/07/653216307.db2.gz RAFJZHZBBWHTBW-JOWJHRDDSA-N 1 0 389.304 2.086 20 0 GEADRO CN(C)c1cccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000682611561 653219847 /nfs/dbraw/zinc/21/98/47/653219847.db2.gz BDFRBJGTSGQTRM-UHFFFAOYSA-N 1 0 383.583 2.393 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1nc(Br)nc1Br ZINC000808189863 653221638 /nfs/dbraw/zinc/22/16/38/653221638.db2.gz BLDXZKGBJDPKRY-UWVGGRQHSA-N 1 0 393.127 2.319 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000682725107 653222133 /nfs/dbraw/zinc/22/21/33/653222133.db2.gz FPQWEEYYPIBSRT-CQSZACIVSA-N 1 0 387.571 2.442 20 0 GEADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2)CC1 ZINC000641589272 653223060 /nfs/dbraw/zinc/22/30/60/653223060.db2.gz INFFVHBDKWVHTG-UHFFFAOYSA-N 1 0 386.901 2.218 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000774099052 653224339 /nfs/dbraw/zinc/22/43/39/653224339.db2.gz FKAZEEJQJKJSQM-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)s1 ZINC000641624850 653224722 /nfs/dbraw/zinc/22/47/22/653224722.db2.gz OULDVEDBGKQDIU-XJKSGUPXSA-N 1 0 387.571 2.125 20 0 GEADRO C[C@H](C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(Cl)s1 ZINC000641667174 653229205 /nfs/dbraw/zinc/22/92/05/653229205.db2.gz BTIZXZNLVIKHAW-GJZGRUSLSA-N 1 0 385.961 2.418 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cn(C)cn2)c1 ZINC000808388002 653229222 /nfs/dbraw/zinc/22/92/22/653229222.db2.gz AQNNVZRYZJBKGG-UHFFFAOYSA-N 1 0 381.274 2.101 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000774207803 653229267 /nfs/dbraw/zinc/22/92/67/653229267.db2.gz ATFICZJQTBSLLH-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO CC[N@H+](CCNC(=O)CCn1cc(Br)cn1)CCC(F)(F)F ZINC000683175117 653229615 /nfs/dbraw/zinc/22/96/15/653229615.db2.gz ODKIUXCBMKDQCU-UHFFFAOYSA-N 1 0 385.228 2.426 20 0 GEADRO Cn1nc(Br)cc1CNCc1ccncc1OCCC[NH+](C)C ZINC000808443344 653229798 /nfs/dbraw/zinc/22/97/98/653229798.db2.gz WMKYBOBOWWLPPL-UHFFFAOYSA-N 1 0 382.306 2.198 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000774222511 653229841 /nfs/dbraw/zinc/22/98/41/653229841.db2.gz LVXPGZIKWJYHRO-CYBMUJFWSA-N 1 0 395.301 2.178 20 0 GEADRO C[N@@H+]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1(C)C ZINC000774249518 653231022 /nfs/dbraw/zinc/23/10/22/653231022.db2.gz KWDAVOWAQNGQAT-UHFFFAOYSA-N 1 0 379.917 2.440 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NCc1cc(Br)c(O)c(OC)c1 ZINC000641771220 653233387 /nfs/dbraw/zinc/23/33/87/653233387.db2.gz DZSGBKBKUNQRGK-ZDUSSCGKSA-N 1 0 375.307 2.346 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000641775074 653233493 /nfs/dbraw/zinc/23/34/93/653233493.db2.gz KEJKMCJNMGPHJB-VXGBXAGGSA-N 1 0 394.107 2.423 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)nc2Br)C[C@H]1C ZINC000774311645 653233838 /nfs/dbraw/zinc/23/38/38/653233838.db2.gz JIGGXOTWTKRGKX-CHWSQXEVSA-N 1 0 397.317 2.422 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cncc(Br)c1 ZINC000641785821 653233921 /nfs/dbraw/zinc/23/39/21/653233921.db2.gz LKRFHTVEJKMFFQ-CRAIPNDOSA-N 1 0 397.361 2.291 20 0 GEADRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2nnnn2-c2ccccc2Br)[C@H]1C ZINC000641807564 653234105 /nfs/dbraw/zinc/23/41/05/653234105.db2.gz KYJDADBWNLPYCZ-AGIUHOORSA-N 1 0 379.306 2.373 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000641821090 653234610 /nfs/dbraw/zinc/23/46/10/653234610.db2.gz DRZAGNBLDPFGEC-UHFFFAOYSA-N 1 0 379.258 2.179 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641860264 653235337 /nfs/dbraw/zinc/23/53/37/653235337.db2.gz ZZZVHSBZBMXXPJ-SFAKSCPVSA-N 1 0 381.318 2.352 20 0 GEADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000774478210 653238828 /nfs/dbraw/zinc/23/88/28/653238828.db2.gz ZVGBCUQLZAAPNY-OSAQELSMSA-N 1 0 398.301 2.432 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642327018 653242095 /nfs/dbraw/zinc/24/20/95/653242095.db2.gz DZFBUOVMFATRCP-CYBMUJFWSA-N 1 0 396.329 2.226 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC[C@@H]1[NH3+] ZINC000642408059 653247356 /nfs/dbraw/zinc/24/73/56/653247356.db2.gz NNJABNUPNFQPKM-PWSUYJOCSA-N 1 0 380.901 2.152 20 0 GEADRO CON(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000774662184 653247484 /nfs/dbraw/zinc/24/74/84/653247484.db2.gz CUWCOSUATGVNCM-UHFFFAOYSA-N 1 0 384.274 2.119 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1F ZINC000684011485 653250626 /nfs/dbraw/zinc/25/06/26/653250626.db2.gz NGWYZOJWVZJGTE-LBPRGKRZSA-N 1 0 398.276 2.436 20 0 GEADRO C[NH+](C)CCNC(=S)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000809160464 653252190 /nfs/dbraw/zinc/25/21/90/653252190.db2.gz QINZHDYETZAZKK-CQSZACIVSA-N 1 0 377.432 2.395 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CCOCC1 ZINC000684099776 653257618 /nfs/dbraw/zinc/25/76/18/653257618.db2.gz NOBNSLWNQUFWFA-UHFFFAOYSA-N 1 0 384.395 2.234 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC[C@H]2CC2(Cl)Cl)CC1 ZINC000856945953 653259086 /nfs/dbraw/zinc/25/90/86/653259086.db2.gz AAPVPOUOZIKEPD-GJZGRUSLSA-N 1 0 377.360 2.382 20 0 GEADRO Cc1cc(Br)cc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000774876275 653264348 /nfs/dbraw/zinc/26/43/48/653264348.db2.gz OCUTVXRROQQBEI-UHFFFAOYSA-N 1 0 380.330 2.498 20 0 GEADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000856981558 653265269 /nfs/dbraw/zinc/26/52/69/653265269.db2.gz QTDYLRNKQHKYES-ZDUSSCGKSA-N 1 0 399.333 2.418 20 0 GEADRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cn1 ZINC000684551735 653275930 /nfs/dbraw/zinc/27/59/30/653275930.db2.gz BTNYAWQPNIINGA-BBRMVZONSA-N 1 0 383.334 2.437 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(Br)c1 ZINC000874169743 653278424 /nfs/dbraw/zinc/27/84/24/653278424.db2.gz PPUHSFQNZPWHCE-IUODEOHRSA-N 1 0 380.286 2.249 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3F)CC[C@@H]21 ZINC000874174682 653280348 /nfs/dbraw/zinc/28/03/48/653280348.db2.gz QREAZWBYWREHHV-GWCFXTLKSA-N 1 0 384.249 2.079 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000874175138 653280554 /nfs/dbraw/zinc/28/05/54/653280554.db2.gz NKIFGWOOMWTUOI-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000874174704 653280674 /nfs/dbraw/zinc/28/06/74/653280674.db2.gz SJAZUMJFOIIAQQ-WFASDCNBSA-N 1 0 380.286 2.249 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)NCC[C@H](C)[NH3+])C2 ZINC000857107550 653283682 /nfs/dbraw/zinc/28/36/82/653283682.db2.gz YNPHBXFNEDXCIB-ZETCQYMHSA-N 1 0 376.276 2.060 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)NCc1cc(Cl)ccc1I ZINC000857107379 653283595 /nfs/dbraw/zinc/28/35/95/653283595.db2.gz TYEBHPVJIDOKFO-QMMMGPOBSA-N 1 0 381.645 2.481 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000857114887 653285027 /nfs/dbraw/zinc/28/50/27/653285027.db2.gz ZYKFDTQTCHQURU-JTQLQIEISA-N 1 0 379.814 2.323 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000684658124 653284464 /nfs/dbraw/zinc/28/44/64/653284464.db2.gz VHUXIGJTFLGABE-AWEZNQCLSA-N 1 0 392.352 2.394 20 0 GEADRO O=C(c1c(Br)nc2n1CCOC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000857135397 653287598 /nfs/dbraw/zinc/28/75/98/653287598.db2.gz OTFIZZVCHBYLIY-UHFFFAOYSA-N 1 0 397.317 2.124 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc2ccccn2c1Br ZINC000809648263 653287701 /nfs/dbraw/zinc/28/77/01/653287701.db2.gz JYBZKYWBLBXPOO-ZDUSSCGKSA-N 1 0 381.318 2.374 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000685102073 653294379 /nfs/dbraw/zinc/29/43/79/653294379.db2.gz SLCSSTMWOLPMQD-UHFFFAOYSA-N 1 0 396.329 2.363 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)NCc1cc(Br)ccc1C ZINC000685103179 653296558 /nfs/dbraw/zinc/29/65/58/653296558.db2.gz WSBZOAGSMIDNTN-UHFFFAOYSA-N 1 0 384.318 2.222 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(Br)nc2n1CCOC2 ZINC000857190391 653297078 /nfs/dbraw/zinc/29/70/78/653297078.db2.gz IEUULTCDONCZOP-UHFFFAOYSA-N 1 0 385.306 2.124 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)C[N@@H+]1Cc1ccccc1 ZINC000775177849 653300863 /nfs/dbraw/zinc/30/08/63/653300863.db2.gz YXEWEWOWKFXLCG-SNPRPXQTSA-N 1 0 384.307 2.076 20 0 GEADRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000775178787 653301250 /nfs/dbraw/zinc/30/12/50/653301250.db2.gz DANGRWCWQLSPGH-NFOMZHRRSA-N 1 0 390.355 2.456 20 0 GEADRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000775178790 653301303 /nfs/dbraw/zinc/30/13/03/653301303.db2.gz DANGRWCWQLSPGH-WLYUNCDWSA-N 1 0 390.355 2.456 20 0 GEADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000775182979 653301596 /nfs/dbraw/zinc/30/15/96/653301596.db2.gz NFEWAMVVIZGDFI-JSGCOSHPSA-N 1 0 376.328 2.210 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775195952 653303384 /nfs/dbraw/zinc/30/33/84/653303384.db2.gz LBIFPUZHNFQQPV-HNNXBMFYSA-N 1 0 386.323 2.455 20 0 GEADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000775200680 653304225 /nfs/dbraw/zinc/30/42/25/653304225.db2.gz YEMUBMNKTCZELQ-CABCVRRESA-N 1 0 384.307 2.077 20 0 GEADRO COc1ccc(Br)c(CN2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000685570614 653305387 /nfs/dbraw/zinc/30/53/87/653305387.db2.gz IUDWSUUVDQDFNU-UHFFFAOYSA-N 1 0 399.329 2.117 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000685611644 653309301 /nfs/dbraw/zinc/30/93/01/653309301.db2.gz LVHSNJNYXVJOJP-LBPRGKRZSA-N 1 0 383.436 2.421 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@H](c1ccc(OC)cc1Br)C(C)C ZINC000685654884 653310909 /nfs/dbraw/zinc/31/09/09/653310909.db2.gz ASOOXJGUYWQDOU-AWEZNQCLSA-N 1 0 379.320 2.294 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000809860387 653311234 /nfs/dbraw/zinc/31/12/34/653311234.db2.gz NAVLFFJQGLGTCN-CYBMUJFWSA-N 1 0 389.949 2.441 20 0 GEADRO O=C(C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)N1CCN(c2ccccc2)CC1 ZINC000775380485 653311935 /nfs/dbraw/zinc/31/19/35/653311935.db2.gz JDUONMPXGMWAQV-ZIFCJYIRSA-N 1 0 377.579 2.304 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(Br)c1 ZINC000874362620 653312291 /nfs/dbraw/zinc/31/22/91/653312291.db2.gz BHPWGWPQZXHAGD-HUUCEWRRSA-N 1 0 380.286 2.391 20 0 GEADRO Cn1nncc1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000809900582 653312844 /nfs/dbraw/zinc/31/28/44/653312844.db2.gz CUSLCNOLLUVVBJ-UHFFFAOYSA-N 1 0 381.278 2.173 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000874365331 653313359 /nfs/dbraw/zinc/31/33/59/653313359.db2.gz BIPYOLAXWJUSQU-LSDHHAIUSA-N 1 0 380.286 2.391 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)N1CCc2c1cccc2Br ZINC000874370160 653313995 /nfs/dbraw/zinc/31/39/95/653313995.db2.gz XGRKFRVEZISSRL-HZPDHXFCSA-N 1 0 392.297 2.033 20 0 GEADRO COC1CC[NH+](CCNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000685776509 653314416 /nfs/dbraw/zinc/31/44/16/653314416.db2.gz QCFIGBWHJPVXHS-UHFFFAOYSA-N 1 0 382.814 2.091 20 0 GEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1csc(Br)n1 ZINC000702545010 653319668 /nfs/dbraw/zinc/31/96/68/653319668.db2.gz NEZXNERKWLXECJ-MRXNPFEDSA-N 1 0 396.310 2.272 20 0 GEADRO CC(C)(CO)[NH+]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000775628051 653320206 /nfs/dbraw/zinc/32/02/06/653320206.db2.gz ZENQPMZCTZEFJS-OAHLLOKOSA-N 1 0 375.282 2.010 20 0 GEADRO O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)C2(Br)CC2)cc1 ZINC000874451588 653320505 /nfs/dbraw/zinc/32/05/05/653320505.db2.gz BSUVVBOJMIGWHW-UHFFFAOYSA-N 1 0 394.313 2.056 20 0 GEADRO CN(CCOCC[NH2+]Cc1cn(C)nc1Br)C(=O)OC(C)(C)C ZINC000712478693 653323685 /nfs/dbraw/zinc/32/36/85/653323685.db2.gz BBUCPFMKIKJYNW-UHFFFAOYSA-N 1 0 391.310 2.156 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000857593062 653325960 /nfs/dbraw/zinc/32/59/60/653325960.db2.gz MHTBBTXCTUFORV-CHWSQXEVSA-N 1 0 393.289 2.027 20 0 GEADRO O[C@H](CN1CCO[C@H](c2ccc(F)c(Br)c2)C1)C[NH+]1CCCC1 ZINC000775734277 653327269 /nfs/dbraw/zinc/32/72/69/653327269.db2.gz TVCXLBHXKCSREE-YOEHRIQHSA-N 1 0 387.293 2.418 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000775819240 653330010 /nfs/dbraw/zinc/33/00/10/653330010.db2.gz YARVVKNGYMHKSI-UHFFFAOYSA-N 1 0 387.933 2.148 20 0 GEADRO Cn1nnc(Br)c1-c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000810293902 653333703 /nfs/dbraw/zinc/33/37/03/653333703.db2.gz SPXRTVYPAQIVHQ-UHFFFAOYSA-N 1 0 393.245 2.235 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)c1cccc(Br)c1 ZINC000874821860 653337485 /nfs/dbraw/zinc/33/74/85/653337485.db2.gz WCQBQBGSJWADCD-IKGGRYGDSA-N 1 0 394.313 2.321 20 0 GEADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@]3(C)CC3(Cl)Cl)cn2)CC1 ZINC000836212553 653338274 /nfs/dbraw/zinc/33/82/74/653338274.db2.gz UAWICFLOYJITTA-INIZCTEOSA-N 1 0 386.327 2.217 20 0 GEADRO Cn1nnc(Br)c1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000810434851 653339614 /nfs/dbraw/zinc/33/96/14/653339614.db2.gz QZWKUWNOTNRVHH-UHFFFAOYSA-N 1 0 394.317 2.214 20 0 GEADRO Cc1c(C(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)nnn1C ZINC000857880315 653341717 /nfs/dbraw/zinc/34/17/17/653341717.db2.gz GLZJNUYETBAKTF-AWEZNQCLSA-N 1 0 392.301 2.409 20 0 GEADRO COCCOCC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857883406 653341849 /nfs/dbraw/zinc/34/18/49/653341849.db2.gz SYEZOGKYRKYXIG-OAHLLOKOSA-N 1 0 385.302 2.322 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000836291526 653343111 /nfs/dbraw/zinc/34/31/11/653343111.db2.gz UBDJHTIKJNRKOG-INIZCTEOSA-N 1 0 393.359 2.202 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000874983222 653344814 /nfs/dbraw/zinc/34/48/14/653344814.db2.gz LVXNRBDQNUYNIP-XJKSGUPXSA-N 1 0 384.307 2.205 20 0 GEADRO C[NH+]1CCC(NC(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000874999187 653346125 /nfs/dbraw/zinc/34/61/25/653346125.db2.gz QYMAKYBAWMBBIL-QGZVFWFLSA-N 1 0 384.318 2.136 20 0 GEADRO Cn1nnc(Br)c1C(=O)OCCCOCCC[NH+]1CCCCC1 ZINC000810585868 653347033 /nfs/dbraw/zinc/34/70/33/653347033.db2.gz LYNYFWXYNOSBFC-UHFFFAOYSA-N 1 0 389.294 2.017 20 0 GEADRO CC(C)[C@H](CNC(=O)C(=O)NCc1ncc(Cl)s1)[NH+]1CCCCCC1 ZINC000875030545 653348293 /nfs/dbraw/zinc/34/82/93/653348293.db2.gz YWJXXJWUYSESQP-ZDUSSCGKSA-N 1 0 386.949 2.430 20 0 GEADRO Cn1cc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(Br)n1 ZINC000858143837 653350435 /nfs/dbraw/zinc/35/04/35/653350435.db2.gz YCPDMYQEHRCZLZ-WBVHZDCISA-N 1 0 393.329 2.155 20 0 GEADRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1cn(C)nc1Br ZINC000858145633 653350760 /nfs/dbraw/zinc/35/07/60/653350760.db2.gz ZSRHZIWNIPHBAQ-OAHLLOKOSA-N 1 0 392.345 2.483 20 0 GEADRO Cn1cc(C[NH2+]CCCN2C(=O)COc3ccccc32)c(Br)n1 ZINC000858146453 653350787 /nfs/dbraw/zinc/35/07/87/653350787.db2.gz YOHOSIIPBVBFNN-UHFFFAOYSA-N 1 0 379.258 2.088 20 0 GEADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@@H]2CNC(=O)C2)cc1Br ZINC000858177553 653352674 /nfs/dbraw/zinc/35/26/74/653352674.db2.gz QGZFIIPVOXQLTD-GHMZBOCLSA-N 1 0 389.265 2.495 20 0 GEADRO CCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)N(C)OC)cc1OC ZINC000858318042 653359682 /nfs/dbraw/zinc/35/96/82/653359682.db2.gz BMMZNRYFRQSZHC-JTQLQIEISA-N 1 0 375.263 2.354 20 0 GEADRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)nc1 ZINC000858465353 653365145 /nfs/dbraw/zinc/36/51/45/653365145.db2.gz DTXJUKXHQCWVEP-CXAGYDPISA-N 1 0 384.318 2.111 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1nc(Br)cs1 ZINC000858489630 653365843 /nfs/dbraw/zinc/36/58/43/653365843.db2.gz IUVYDYJGLRPLSC-ZJUUUORDSA-N 1 0 394.302 2.273 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858606707 653368978 /nfs/dbraw/zinc/36/89/78/653368978.db2.gz INWXSFZCZCNFGF-ZWNOBZJWSA-N 1 0 379.404 2.078 20 0 GEADRO 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CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Br)nc1F ZINC000859166160 653415125 /nfs/dbraw/zinc/41/51/25/653415125.db2.gz TWVFYGMRAYLOCY-JTQLQIEISA-N 1 0 382.299 2.382 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ncc(Br)s2)CCO1 ZINC000876283166 653418650 /nfs/dbraw/zinc/41/86/50/653418650.db2.gz IJZGCRIXQAEMJH-LLVKDONJSA-N 1 0 391.335 2.158 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)/C=C\c2ccc(SC)s2)CC1 ZINC000859200372 653421925 /nfs/dbraw/zinc/42/19/25/653421925.db2.gz YHDYBMRYIREZIP-VURMDHGXSA-N 1 0 381.567 2.496 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4ccccc4Br)nn3)C[C@@H]2C1 ZINC000812337913 653423607 /nfs/dbraw/zinc/42/36/07/653423607.db2.gz JUUJEYDEQKDNRZ-OLZOCXBDSA-N 1 0 390.285 2.054 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)OCc1ccc(Br)cc1 ZINC000859223338 653425182 /nfs/dbraw/zinc/42/51/82/653425182.db2.gz YYPNIKCEBYVQMZ-UHFFFAOYSA-N 1 0 386.290 2.038 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000876959163 653456134 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O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876611339 653437517 /nfs/dbraw/zinc/43/75/17/653437517.db2.gz DLIMRKKHIQGUFG-IAQYHMDHSA-N 1 0 388.270 2.225 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1(F)F ZINC000876629352 653438595 /nfs/dbraw/zinc/43/85/95/653438595.db2.gz ZRIWJQBUZYZBMQ-FRRDWIJNSA-N 1 0 375.213 2.189 20 0 GEADRO COc1ccc(I)c(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c1 ZINC000876626777 653438624 /nfs/dbraw/zinc/43/86/24/653438624.db2.gz IMRPZQMJBFXSER-XVKPBYJWSA-N 1 0 382.148 2.078 20 0 GEADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000876625530 653438711 /nfs/dbraw/zinc/43/87/11/653438711.db2.gz XTRNIPQFPLQTRT-MVZIDQBPSA-N 1 0 381.270 2.392 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)c(F)cc1F ZINC000876640348 653440707 /nfs/dbraw/zinc/44/07/07/653440707.db2.gz RNYGQHOPKKTFTI-OTYXRUKQSA-N 1 0 379.404 2.003 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000859319619 653441272 /nfs/dbraw/zinc/44/12/72/653441272.db2.gz ABTYDXVWLXIZJC-UHFFFAOYSA-N 1 0 376.448 2.403 20 0 GEADRO C[NH+](C)C[C@H](N)C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000876662507 653442048 /nfs/dbraw/zinc/44/20/48/653442048.db2.gz MQYKGDJREOUZPZ-QMMMGPOBSA-N 1 0 375.317 2.462 20 0 GEADRO CO[C@](C)(C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C1CC1 ZINC000812772980 653442157 /nfs/dbraw/zinc/44/21/57/653442157.db2.gz NWPGPSAQHXFOMX-XJKSGUPXSA-N 1 0 375.922 2.109 20 0 GEADRO CCOP(=O)(CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)OCC ZINC000876685111 653442536 /nfs/dbraw/zinc/44/25/36/653442536.db2.gz YEQADIMSOUPNOZ-INIZCTEOSA-N 1 0 376.434 2.356 20 0 GEADRO COC[C@]1(C(=O)Nc2cc(Br)cc(OC(C)C)c2)C[NH2+]CCO1 ZINC000876701048 653443194 /nfs/dbraw/zinc/44/31/94/653443194.db2.gz MDMIAWSZARDDMY-INIZCTEOSA-N 1 0 387.274 2.180 20 0 GEADRO O=C1[C@@H]([NH2+]C2CCS(=O)(=O)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000812840432 653444572 /nfs/dbraw/zinc/44/45/72/653444572.db2.gz CIZZFTXLFPGCAZ-AWEZNQCLSA-N 1 0 377.293 2.266 20 0 GEADRO CON(C)C(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000812867436 653445332 /nfs/dbraw/zinc/44/53/32/653445332.db2.gz DBJUBSVNJRQGAS-CYBMUJFWSA-N 1 0 391.295 2.465 20 0 GEADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1cc(Br)c[nH]c1=O ZINC000876737026 653445422 /nfs/dbraw/zinc/44/54/22/653445422.db2.gz OFFUANWCJQADIB-LLVKDONJSA-N 1 0 380.246 2.231 20 0 GEADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876736835 653445526 /nfs/dbraw/zinc/44/55/26/653445526.db2.gz OJXDRGIQCJRTIF-XEZPLFJOSA-N 1 0 384.293 2.339 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000812955334 653446619 /nfs/dbraw/zinc/44/66/19/653446619.db2.gz GQJKZLSVRLFLDX-CHWSQXEVSA-N 1 0 397.317 2.470 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC000859355133 653449124 /nfs/dbraw/zinc/44/91/24/653449124.db2.gz HHISVZFLXNGOMI-GFCCVEGCSA-N 1 0 376.448 2.449 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000812973203 653449607 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COCCOc1ccc(Br)cc1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876877314 653451557 /nfs/dbraw/zinc/45/15/57/653451557.db2.gz SKBREDQUZYIGQC-QMTHXVAHSA-N 1 0 375.238 2.360 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cnc(Cl)n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778658418 653452709 /nfs/dbraw/zinc/45/27/09/653452709.db2.gz ONMVRBBTXORODY-HIFRSBDPSA-N 1 0 382.917 2.262 20 0 GEADRO Cc1cnc(Br)c(NC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000813004563 653453761 /nfs/dbraw/zinc/45/37/61/653453761.db2.gz KPBJUMHYACRMBG-UHFFFAOYSA-N 1 0 384.322 2.302 20 0 GEADRO O=C(NC[C@H](O)c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000837596755 653453912 /nfs/dbraw/zinc/45/39/12/653453912.db2.gz PAOKTCMQBVFOHO-WWGRRREGSA-N 1 0 382.302 2.409 20 0 GEADRO Cn1nnc(Br)c1C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000813016992 653454330 /nfs/dbraw/zinc/45/43/30/653454330.db2.gz ZUHKXAYOYPCOOG-UHFFFAOYSA-N 1 0 378.274 2.320 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Br)c1 ZINC000876934652 653455144 /nfs/dbraw/zinc/45/51/44/653455144.db2.gz HZDDJCALFKTIDV-JKSUJKDBSA-N 1 0 394.313 2.417 20 0 GEADRO C[C@]12CCN(C(=O)[C@H](F)[C@H]3CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000876959165 653456012 /nfs/dbraw/zinc/45/60/12/653456012.db2.gz PCQSSRMYGNWRIC-XNDJQWLSSA-N 1 0 398.114 2.289 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000877002339 653459174 /nfs/dbraw/zinc/45/91/74/653459174.db2.gz SKFNBNQQCZPZQG-UHFFFAOYSA-N 1 0 396.738 2.259 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1I ZINC000877004234 653459376 /nfs/dbraw/zinc/45/93/76/653459376.db2.gz HFPFHPXVCJUTQN-LLVKDONJSA-N 1 0 388.253 2.083 20 0 GEADRO ClC1(Cl)C[C@H]1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000877009817 653459724 /nfs/dbraw/zinc/45/97/24/653459724.db2.gz BDHNWANOVSAURK-UONOGXRCSA-N 1 0 386.327 2.065 20 0 GEADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877030866 653462156 /nfs/dbraw/zinc/46/21/56/653462156.db2.gz MZNUCPSSJQPHHN-LBPRGKRZSA-N 1 0 380.316 2.287 20 0 GEADRO COc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(Cl)cc1O ZINC000877039542 653462668 /nfs/dbraw/zinc/46/26/68/653462668.db2.gz MVXTYDGZKYKZQM-UHFFFAOYSA-N 1 0 398.859 2.408 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000877099707 653465867 /nfs/dbraw/zinc/46/58/67/653465867.db2.gz MMXSHCBXFQUOGW-NOZJJQNGSA-N 1 0 387.267 2.004 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)CC1 ZINC000877095532 653465912 /nfs/dbraw/zinc/46/59/12/653465912.db2.gz QWNXGXIVASLJBB-CQSZACIVSA-N 1 0 379.444 2.271 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1ccc(I)s1)CC1CC1 ZINC000877110296 653466542 /nfs/dbraw/zinc/46/65/42/653466542.db2.gz PKHKJJQEEJIBHZ-UHFFFAOYSA-N 1 0 385.292 2.267 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000877190475 653471239 /nfs/dbraw/zinc/47/12/39/653471239.db2.gz HDNHKIZNYLTSHC-UHFFFAOYSA-N 1 0 398.276 2.190 20 0 GEADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ncc(Br)s1 ZINC000877266309 653474093 /nfs/dbraw/zinc/47/40/93/653474093.db2.gz OKHAQMNECVFCBW-SNVBAGLBSA-N 1 0 384.303 2.265 20 0 GEADRO COCCCN(C(=O)c1c(C)nn(C)c1Br)C1CC[NH+](C)CC1 ZINC000813291264 653474529 /nfs/dbraw/zinc/47/45/29/653474529.db2.gz GRIFLOQSJPNQQS-UHFFFAOYSA-N 1 0 387.322 2.064 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000877292231 653474889 /nfs/dbraw/zinc/47/48/89/653474889.db2.gz DCVBSQZWTFFMOH-JOCQHMNTSA-N 1 0 387.933 2.369 20 0 GEADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285512 653474986 /nfs/dbraw/zinc/47/49/86/653474986.db2.gz UUTWYUMODCQPFY-GJZGRUSLSA-N 1 0 398.276 2.061 20 0 GEADRO O=C(CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)N1CCCC1 ZINC000859574814 653475568 /nfs/dbraw/zinc/47/55/68/653475568.db2.gz RXQIOWIGKUGWOV-SFHVURJKSA-N 1 0 381.314 2.271 20 0 GEADRO CC(C)n1ncc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1Br ZINC000877353298 653478112 /nfs/dbraw/zinc/47/81/12/653478112.db2.gz PNEIXQKFNKXGRW-WCBMZHEXSA-N 1 0 383.212 2.436 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@H]1C(F)(F)F ZINC000877368090 653479621 /nfs/dbraw/zinc/47/96/21/653479621.db2.gz PPOUCXYWPNURAX-RKDXNWHRSA-N 1 0 395.175 2.387 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877392069 653498108 /nfs/dbraw/zinc/49/81/08/653498108.db2.gz FDBPWRGXXDJZBQ-GUYCJALGSA-N 1 0 376.507 2.400 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000877441620 653517070 /nfs/dbraw/zinc/51/70/70/653517070.db2.gz IMWRKFSTSDDTKI-UHFFFAOYSA-N 1 0 387.571 2.053 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000877441942 653517865 /nfs/dbraw/zinc/51/78/65/653517865.db2.gz UOFHBKUYMBKHGF-UHFFFAOYSA-N 1 0 395.301 2.137 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000877476491 653524708 /nfs/dbraw/zinc/52/47/08/653524708.db2.gz GBYCYLKBYBVKTO-OAHLLOKOSA-N 1 0 390.343 2.015 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1ccc(Cl)nn1)c1ccccc1Cl ZINC000877495661 653546634 /nfs/dbraw/zinc/54/66/34/653546634.db2.gz DITKQKBBQBASHA-UHFFFAOYSA-N 1 0 375.281 2.242 20 0 GEADRO COc1ncc(Br)cc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000877524950 653610536 /nfs/dbraw/zinc/61/05/36/653610536.db2.gz LSEIUNSDAVVWAB-UHFFFAOYSA-N 1 0 397.361 2.312 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000838140236 653611004 /nfs/dbraw/zinc/61/10/04/653611004.db2.gz DVARJTSTVLIFEA-CYBMUJFWSA-N 1 0 392.301 2.492 20 0 GEADRO O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877538000 653610992 /nfs/dbraw/zinc/61/09/92/653610992.db2.gz SAINYADRPPROHH-HIFRSBDPSA-N 1 0 375.226 2.076 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877540489 653611126 /nfs/dbraw/zinc/61/11/26/653611126.db2.gz AIVHONMCJMCKGN-UHFFFAOYSA-N 1 0 388.946 2.264 20 0 GEADRO C[C@H]1CN(C(=O)c2nc(Br)cs2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000779830686 653611935 /nfs/dbraw/zinc/61/19/35/653611935.db2.gz YUVCBSGLBSKNQL-NWDGAFQWSA-N 1 0 387.347 2.004 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000813740955 653613717 /nfs/dbraw/zinc/61/37/17/653613717.db2.gz LVIKEXMMWPKXSW-RISCZKNCSA-N 1 0 381.885 2.221 20 0 GEADRO C[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C[C@]1(O)CCc2ccccc21 ZINC000877603933 653614007 /nfs/dbraw/zinc/61/40/07/653614007.db2.gz FUJFIVPKMGZRDX-GOSISDBHSA-N 1 0 380.897 2.253 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1nc(Cl)ccc1Br ZINC000877606768 653614055 /nfs/dbraw/zinc/61/40/55/653614055.db2.gz KIQOOMVPCQISPO-SNVBAGLBSA-N 1 0 375.698 2.049 20 0 GEADRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000813873311 653617481 /nfs/dbraw/zinc/61/74/81/653617481.db2.gz VUMWZQTUVUUOMH-NSHDSACASA-N 1 0 396.481 2.108 20 0 GEADRO CN1C(=O)[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@H]2C1=O ZINC000877719979 653617754 /nfs/dbraw/zinc/61/77/54/653617754.db2.gz KPDMTDKTORLAFR-AOOOYVTPSA-N 1 0 389.196 2.097 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccc(Cl)c(C)c2)c1 ZINC000779970587 653618073 /nfs/dbraw/zinc/61/80/73/653618073.db2.gz JDRYANWNQNLAIQ-UHFFFAOYSA-N 1 0 381.885 2.285 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000838475698 653623275 /nfs/dbraw/zinc/62/32/75/653623275.db2.gz JHPXDKOWUKVQLX-BLLLJJGKSA-N 1 0 382.302 2.361 20 0 GEADRO COc1ccc(Br)cc1CN(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877933564 653623705 /nfs/dbraw/zinc/62/37/05/653623705.db2.gz NVWRIHIGRPOLBB-UHFFFAOYSA-N 1 0 384.318 2.100 20 0 GEADRO NC(=O)c1ccc(CC[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000877930705 653623842 /nfs/dbraw/zinc/62/38/42/653623842.db2.gz QGKKFJPHTZJNPT-UHFFFAOYSA-N 1 0 389.297 2.308 20 0 GEADRO C[C@@H](Sc1nc(CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cs1)C(N)=O ZINC000877980696 653625087 /nfs/dbraw/zinc/62/50/87/653625087.db2.gz XWLKDRBPKSJVJK-CHWSQXEVSA-N 1 0 384.571 2.032 20 0 GEADRO C[N@H+](C[C@H](O)c1cc(Br)no1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000878153383 653630089 /nfs/dbraw/zinc/63/00/89/653630089.db2.gz JSWSCZNDDPXPGR-QWRGUYRKSA-N 1 0 390.278 2.412 20 0 GEADRO C[NH+]1CCC(NC(=O)CN2CCc3c(F)cc(Br)cc3C2)CC1 ZINC000878188939 653630949 /nfs/dbraw/zinc/63/09/49/653630949.db2.gz PZYCDWZLSJHEJG-UHFFFAOYSA-N 1 0 384.293 2.157 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCc2ccccc2Br)C1 ZINC000878210013 653631531 /nfs/dbraw/zinc/63/15/31/653631531.db2.gz JQCVXLIFLXNIRL-CYBMUJFWSA-N 1 0 375.332 2.253 20 0 GEADRO C[C@@H](Sc1nc(CC(=O)NCC[N@H+](C)C2CCCCC2)cs1)C(N)=O ZINC000878244618 653632537 /nfs/dbraw/zinc/63/25/37/653632537.db2.gz SBVLCDAKQAUTJK-GFCCVEGCSA-N 1 0 384.571 2.032 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)C1CC1 ZINC000878411440 653637013 /nfs/dbraw/zinc/63/70/13/653637013.db2.gz JPLZLKDEKALXEW-MNOVXSKESA-N 1 0 390.278 2.363 20 0 GEADRO COC(=O)c1cn([C@@H]2CC[N@H+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000878432616 653637232 /nfs/dbraw/zinc/63/72/32/653637232.db2.gz HLZYQAXSQUVVAF-IAQYHMDHSA-N 1 0 385.251 2.352 20 0 GEADRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H](O)c2cc(Br)no2)C1 ZINC000878458766 653638016 /nfs/dbraw/zinc/63/80/16/653638016.db2.gz VVUBUJYULNLDOO-SDDRHHMPSA-N 1 0 390.278 2.317 20 0 GEADRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)C1 ZINC000878458768 653638019 /nfs/dbraw/zinc/63/80/19/653638019.db2.gz VVUBUJYULNLDOO-WOPDTQHZSA-N 1 0 390.278 2.317 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000814852920 653640333 /nfs/dbraw/zinc/64/03/33/653640333.db2.gz UQKHJAXSNOOVMD-ZDUSSCGKSA-N 1 0 386.949 2.159 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(SC(F)(F)F)nc1 ZINC000860916307 653640819 /nfs/dbraw/zinc/64/08/19/653640819.db2.gz QXCSBISFQMWGIW-LBPRGKRZSA-N 1 0 376.448 2.449 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000814908538 653641161 /nfs/dbraw/zinc/64/11/61/653641161.db2.gz CKKJSACGVVOGMX-KRWDZBQOSA-N 1 0 386.949 2.159 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1c(Br)cnn1C ZINC000878582169 653641726 /nfs/dbraw/zinc/64/17/26/653641726.db2.gz KLNLHCAUCVSAFL-UHFFFAOYSA-N 1 0 379.302 2.445 20 0 GEADRO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878611530 653642437 /nfs/dbraw/zinc/64/24/37/653642437.db2.gz QFTJXOKHKQPJCL-CQSZACIVSA-N 1 0 375.531 2.022 20 0 GEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@]1(C)Br ZINC000861012374 653643185 /nfs/dbraw/zinc/64/31/85/653643185.db2.gz WIFFWPSASAUXDL-BPQIPLTHSA-N 1 0 381.314 2.255 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000839148056 653643318 /nfs/dbraw/zinc/64/33/18/653643318.db2.gz VXRNQCNKLXQRKY-MCIONIFRSA-N 1 0 375.922 2.250 20 0 GEADRO OC[C@H]([NH2+]C[C@H](O)CC1(O)CCCC1)c1ccc(Br)c(F)c1 ZINC000878645257 653643495 /nfs/dbraw/zinc/64/34/95/653643495.db2.gz JCMPEDJWTBOUEP-DOMZBBRYSA-N 1 0 376.266 2.267 20 0 GEADRO O=C1CC[C@@H]([NH+]2CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)CCN1 ZINC000878688291 653644446 /nfs/dbraw/zinc/64/44/46/653644446.db2.gz ZEEPSZTYRQSJGR-RHSMWYFYSA-N 1 0 386.323 2.313 20 0 GEADRO CC1(C)CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1CCO ZINC000781675941 653647016 /nfs/dbraw/zinc/64/70/16/653647016.db2.gz BDJSJOUDWBTPKC-OAHLLOKOSA-N 1 0 375.296 2.332 20 0 GEADRO O=c1cc([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)[nH]c(=O)[nH]1 ZINC000878794713 653647726 /nfs/dbraw/zinc/64/77/26/653647726.db2.gz FZBROYNVUAWPLX-QMTHXVAHSA-N 1 0 398.232 2.312 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000878835833 653648966 /nfs/dbraw/zinc/64/89/66/653648966.db2.gz FHMMUGAOHGJITR-GXTWGEPZSA-N 1 0 384.571 2.032 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(Br)cc(C=O)c2)CCN1CC(C)(C)O ZINC000861182110 653649502 /nfs/dbraw/zinc/64/95/02/653649502.db2.gz IBDRBJHXRWCSMJ-LBPRGKRZSA-N 1 0 383.286 2.179 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)ccc1OCC[NH+](C)C ZINC000839456278 653649832 /nfs/dbraw/zinc/64/98/32/653649832.db2.gz MSEIZGVSPRSINO-GFCCVEGCSA-N 1 0 388.295 2.184 20 0 GEADRO Brc1cccc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)n1 ZINC000878870490 653650003 /nfs/dbraw/zinc/65/00/03/653650003.db2.gz CPLANDOMPZEUBB-OAHLLOKOSA-N 1 0 386.359 2.484 20 0 GEADRO O=C1O[C@@H](C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CN1C1CC1 ZINC000878876698 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O=C(CCSc1nc2ccccc2s1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861711135 653665434 /nfs/dbraw/zinc/66/54/34/653665434.db2.gz UEAVBVCGUYDZFQ-UONOGXRCSA-N 1 0 377.535 2.446 20 0 GEADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(Br)n(C)n1 ZINC000839823999 653665743 /nfs/dbraw/zinc/66/57/43/653665743.db2.gz AXMNLUVJCUOYHJ-UHFFFAOYSA-N 1 0 397.273 2.384 20 0 GEADRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000861735465 653665921 /nfs/dbraw/zinc/66/59/21/653665921.db2.gz RTKKNKPBENXXJF-SDDRHHMPSA-N 1 0 377.432 2.219 20 0 GEADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cnn(C)c1Br ZINC000839826681 653666149 /nfs/dbraw/zinc/66/61/49/653666149.db2.gz WFXARBVCBYDIRR-UHFFFAOYSA-N 1 0 397.273 2.384 20 0 GEADRO CCC(CC)(CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)SC ZINC000861771936 653666825 /nfs/dbraw/zinc/66/68/25/653666825.db2.gz LMQOBOUVVDLWBP-VXGBXAGGSA-N 1 0 383.480 2.010 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cn3c(Br)cnc3s2)C[C@H]1[NH+](C)C ZINC000815878517 653667326 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DYWBZUOOTAUXOR-ZDUSSCGKSA-N 1 0 380.290 2.477 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cnc1Br ZINC000783320411 653677424 /nfs/dbraw/zinc/67/74/24/653677424.db2.gz OGEIDMHXDTZUFO-CHWSQXEVSA-N 1 0 397.317 2.470 20 0 GEADRO COCC(COC)[NH+]1CCN(Cn2ncc3c2cccc3Br)CC1 ZINC000840171457 653678132 /nfs/dbraw/zinc/67/81/32/653678132.db2.gz KNVLONWZNIWQKR-UHFFFAOYSA-N 1 0 397.317 2.035 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000840222006 653680509 /nfs/dbraw/zinc/68/05/09/653680509.db2.gz WVHDLGRXTJDHOX-CABCVRRESA-N 1 0 386.539 2.319 20 0 GEADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000862290892 653682697 /nfs/dbraw/zinc/68/26/97/653682697.db2.gz GNIARBIQGQTTKM-ZDUSSCGKSA-N 1 0 382.473 2.046 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2nc(Br)sc2C2CC2)C1 ZINC000816361863 653683205 /nfs/dbraw/zinc/68/32/05/653683205.db2.gz ZTCBHTRSZBIFMH-HNNXBMFYSA-N 1 0 388.331 2.312 20 0 GEADRO O=C(Cc1ccc(Cl)cc1Br)NCC[N@@H+]1CCCOCC1 ZINC000783849542 653685590 /nfs/dbraw/zinc/68/55/90/653685590.db2.gz LAWUANAXZVEZBB-UHFFFAOYSA-N 1 0 375.694 2.484 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000816533384 653687260 /nfs/dbraw/zinc/68/72/60/653687260.db2.gz UBKJTQRTLPNALP-UHFFFAOYSA-N 1 0 380.242 2.046 20 0 GEADRO CONC(=O)C1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000879926516 653687973 /nfs/dbraw/zinc/68/79/73/653687973.db2.gz UPVSDYCNYIKAMB-HNNXBMFYSA-N 1 0 396.285 2.092 20 0 GEADRO Cn1ncc(Cl)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000862538084 653688248 /nfs/dbraw/zinc/68/82/48/653688248.db2.gz MGGQLQORFQUCRB-WGBDABJCSA-N 1 0 376.810 2.305 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000879983417 653690872 /nfs/dbraw/zinc/69/08/72/653690872.db2.gz JAXIWIXRQIKBFU-VIFPVBQESA-N 1 0 386.681 2.363 20 0 GEADRO Cn1nc(Br)cc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000784300543 653691542 /nfs/dbraw/zinc/69/15/42/653691542.db2.gz RTOSMBWBZOVQRJ-ZDUSSCGKSA-N 1 0 379.306 2.330 20 0 GEADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880010106 653691869 /nfs/dbraw/zinc/69/18/69/653691869.db2.gz UOKHKMQHDZIMQE-PBTLCFMXSA-N 1 0 381.523 2.221 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000840731265 653692105 /nfs/dbraw/zinc/69/21/05/653692105.db2.gz LDTZTANIWCFTDD-SCLBCKFNSA-N 1 0 377.282 2.423 20 0 GEADRO O=C1C[C@H]([NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C(=O)N1CCCO ZINC000840738625 653692295 /nfs/dbraw/zinc/69/22/95/653692295.db2.gz KWVTXSOVOPOFDO-INIZCTEOSA-N 1 0 382.913 2.406 20 0 GEADRO COC(=O)C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000784346094 653692337 /nfs/dbraw/zinc/69/23/37/653692337.db2.gz GQFWZQKTEQYPEJ-HIFRSBDPSA-N 1 0 390.249 2.259 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)NCC(=O)OCc2ccc(Cl)cc2)CCSC1 ZINC000784357286 653692647 /nfs/dbraw/zinc/69/26/47/653692647.db2.gz YGQPYAGSAGCLMI-QGZVFWFLSA-N 1 0 385.917 2.120 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000816766796 653692990 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CC1([NH+]2CCOCC2)CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000862959302 653699019 /nfs/dbraw/zinc/69/90/19/653699019.db2.gz RXNWDVQCXDGNTB-UHFFFAOYSA-N 1 0 386.265 2.310 20 0 GEADRO C[C@H]1CN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CCN1c1cc[nH+]cc1 ZINC000880261863 653702054 /nfs/dbraw/zinc/70/20/54/653702054.db2.gz ZBFIXVFFACKYIP-ZDUSSCGKSA-N 1 0 380.901 2.093 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C1CC1 ZINC000840964778 653704146 /nfs/dbraw/zinc/70/41/46/653704146.db2.gz PWPUYENQXQGBJW-UHFFFAOYSA-N 1 0 390.299 2.277 20 0 GEADRO O=C(/C=C/c1ccc(Br)o1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000817158473 653705167 /nfs/dbraw/zinc/70/51/67/653705167.db2.gz ULCPXNDKSHDUFE-SOFGYWHQSA-N 1 0 398.301 2.164 20 0 GEADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000841016393 653705182 /nfs/dbraw/zinc/70/51/82/653705182.db2.gz UYTPGXQURRTWAC-ZYHUDNBSSA-N 1 0 382.258 2.436 20 0 GEADRO O=C(c1c(Br)nc2n1CCC2)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880380436 653705220 /nfs/dbraw/zinc/70/52/20/653705220.db2.gz 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CCOC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c(F)cc1Cl ZINC000841487917 653720346 /nfs/dbraw/zinc/72/03/46/653720346.db2.gz FEJMADPOPJBBMM-NSHDSACASA-N 1 0 392.880 2.228 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c(Cl)cc1Cl ZINC000817861430 653721066 /nfs/dbraw/zinc/72/10/66/653721066.db2.gz FBCPLRRLOCMJRX-UHFFFAOYSA-N 1 0 393.292 2.297 20 0 GEADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@@H]1C[NH3+] ZINC000817863539 653721299 /nfs/dbraw/zinc/72/12/99/653721299.db2.gz DSBSXNXUHZFLRI-BZPMIXESSA-N 1 0 387.933 2.036 20 0 GEADRO Cn1c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1-c1ccccc1Br ZINC000863831540 653721530 /nfs/dbraw/zinc/72/15/30/653721530.db2.gz KDZDQONKVKWJCX-ZDUSSCGKSA-N 1 0 392.297 2.251 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1Cl ZINC000841499553 653721894 /nfs/dbraw/zinc/72/18/94/653721894.db2.gz ZQGVMSIQYICQFN-GHMZBOCLSA-N 1 0 392.880 2.417 20 0 GEADRO C[C@H](NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817918225 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653737105 /nfs/dbraw/zinc/73/71/05/653737105.db2.gz ONBDYUJMARFFTM-SVGFKBNWSA-N 1 0 385.599 2.261 20 0 GEADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)s1 ZINC000818948299 653738987 /nfs/dbraw/zinc/73/89/87/653738987.db2.gz OWZIRAGMZFRJFA-ZDUSSCGKSA-N 1 0 394.440 2.498 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccccc1Br)c1ccccc1 ZINC000818947074 653739066 /nfs/dbraw/zinc/73/90/66/653739066.db2.gz CECAZAOEWATSGW-INIZCTEOSA-N 1 0 399.310 2.051 20 0 GEADRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000818954994 653739460 /nfs/dbraw/zinc/73/94/60/653739460.db2.gz YZTQMPPRRVWBMT-INIZCTEOSA-N 1 0 399.310 2.180 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818989674 653740195 /nfs/dbraw/zinc/74/01/95/653740195.db2.gz BVZVUTCHPKXXHQ-HNNXBMFYSA-N 1 0 381.325 2.288 20 0 GEADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000818997794 653740496 /nfs/dbraw/zinc/74/04/96/653740496.db2.gz LDHUXFQXQOAGCD-SJORKVTESA-N 1 0 398.345 2.015 20 0 GEADRO O=C(NCCC[NH2+]C[C@H](O)c1ccc(F)cn1)c1ccc(Br)cc1 ZINC000819001915 653740546 /nfs/dbraw/zinc/74/05/46/653740546.db2.gz QSYGHPIPERNVOK-INIZCTEOSA-N 1 0 396.260 2.426 20 0 GEADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000819001945 653740619 /nfs/dbraw/zinc/74/06/19/653740619.db2.gz GJXKFZJJONIJGD-ZIAGYGMSSA-N 1 0 387.274 2.009 20 0 GEADRO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819010122 653740810 /nfs/dbraw/zinc/74/08/10/653740810.db2.gz ZXBSTNDWJBWUHP-QGZVFWFLSA-N 1 0 392.297 2.168 20 0 GEADRO C[C@H]1COCCN1CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819016745 653740977 /nfs/dbraw/zinc/74/09/77/653740977.db2.gz ANACRZVKHJRWRR-BLLLJJGKSA-N 1 0 375.282 2.106 20 0 GEADRO CN1CCN(c2ccc(NC(=O)C3CC[NH+](C)CC3)cc2Br)CC1 ZINC000787673878 653741965 /nfs/dbraw/zinc/74/19/65/653741965.db2.gz YJAVKHSVYVPTDI-UHFFFAOYSA-N 1 0 395.345 2.481 20 0 GEADRO CC(C)n1ncc(C(=O)NCC(C)(C)C[NH+](C)C)c1I ZINC000864609887 653742125 /nfs/dbraw/zinc/74/21/25/653742125.db2.gz HOZGHRCVBLFSOW-UHFFFAOYSA-N 1 0 392.285 2.386 20 0 GEADRO Cc1cc(C)cc([C@@H](O)C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000819062075 653742139 /nfs/dbraw/zinc/74/21/39/653742139.db2.gz AUACULWFTKEVEF-INIZCTEOSA-N 1 0 376.469 2.191 20 0 GEADRO C[C@]1(CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(Cl)Cl ZINC000841911663 653742633 /nfs/dbraw/zinc/74/26/33/653742633.db2.gz CNEIFOGNSIQSGZ-PWSUYJOCSA-N 1 0 391.265 2.096 20 0 GEADRO [NH3+]CCc1ccc(CNC(=O)NC[C@@H](O)c2cccc(Br)c2)cc1 ZINC000841931938 653742827 /nfs/dbraw/zinc/74/28/27/653742827.db2.gz NCYPXFDWIRIAQQ-QGZVFWFLSA-N 1 0 392.297 2.483 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000787761840 653743443 /nfs/dbraw/zinc/74/34/43/653743443.db2.gz RQDILYRXICROMO-CYBMUJFWSA-N 1 0 388.269 2.370 20 0 GEADRO Cn1nc(I)cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000864678530 653743455 /nfs/dbraw/zinc/74/34/55/653743455.db2.gz SHFHNECYGRQDLS-UHFFFAOYSA-N 1 0 390.269 2.064 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000842014759 653743727 /nfs/dbraw/zinc/74/37/27/653743727.db2.gz VWNLCXAIIWUXPX-XNISGKROSA-N 1 0 382.302 2.170 20 0 GEADRO O=S(=O)(C1CC1)N1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819148108 653744390 /nfs/dbraw/zinc/74/43/90/653744390.db2.gz ORJXSQLWUMONML-INIZCTEOSA-N 1 0 376.881 2.059 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc(Br)cc1=O)c1ccsc1 ZINC000864806599 653745657 /nfs/dbraw/zinc/74/56/57/653745657.db2.gz KRNLNCJLRZMMCC-ZDUSSCGKSA-N 1 0 384.299 2.091 20 0 GEADRO C[C@@](O)(C[NH2+]CC1CCS(=O)(=O)CC1)c1ccc(Br)cc1F ZINC000819189092 653745745 /nfs/dbraw/zinc/74/57/45/653745745.db2.gz PTSWTIOFYVKDKQ-OAHLLOKOSA-N 1 0 394.306 2.210 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(Cl)s1 ZINC000819186861 653745832 /nfs/dbraw/zinc/74/58/32/653745832.db2.gz XJLMXCPCWHTWLA-NSHDSACASA-N 1 0 396.868 2.281 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000819193043 653745836 /nfs/dbraw/zinc/74/58/36/653745836.db2.gz CXVCRGAQJCKCJL-MRXNPFEDSA-N 1 0 380.535 2.291 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000787912802 653745875 /nfs/dbraw/zinc/74/58/75/653745875.db2.gz IYLHOFASEYLVLJ-UWVGGRQHSA-N 1 0 382.711 2.259 20 0 GEADRO CN(C)c1nccc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)n1 ZINC000819210880 653746160 /nfs/dbraw/zinc/74/61/60/653746160.db2.gz ZEQPHOLCMSXCFM-INIZCTEOSA-N 1 0 383.265 2.442 20 0 GEADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819211701 653746428 /nfs/dbraw/zinc/74/64/28/653746428.db2.gz DDQDADBKBDQLJB-KRWDZBQOSA-N 1 0 376.469 2.038 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1COC2(CCOCC2)O1)COc1ccc(Cl)c(Cl)c1 ZINC000819214222 653746440 /nfs/dbraw/zinc/74/64/40/653746440.db2.gz BUHYRHVDFBFYET-TZMCWYRMSA-N 1 0 392.279 2.245 20 0 GEADRO CON(C)C(=O)CC[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000819234924 653746737 /nfs/dbraw/zinc/74/67/37/653746737.db2.gz IDDXVWUXWYMIOA-OAHLLOKOSA-N 1 0 398.301 2.252 20 0 GEADRO CC1(C)OCC([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CO1 ZINC000819226539 653746795 /nfs/dbraw/zinc/74/67/95/653746795.db2.gz STVXLOHYMKSQJW-ZDUSSCGKSA-N 1 0 378.238 2.069 20 0 GEADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000819238797 653746963 /nfs/dbraw/zinc/74/69/63/653746963.db2.gz MKFSWNVQWWMVAB-KGLIPLIRSA-N 1 0 387.274 2.009 20 0 GEADRO Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000819265688 653747310 /nfs/dbraw/zinc/74/73/10/653747310.db2.gz BGFKRCMYJBNGKV-MRXNPFEDSA-N 1 0 399.310 2.228 20 0 GEADRO C[C@@](O)(C[NH2+]CC1(N2CCOCC2)CC1)c1ccc(Br)cc1F ZINC000819264768 653747373 /nfs/dbraw/zinc/74/73/73/653747373.db2.gz DWSMASDNAIBNQK-MRXNPFEDSA-N 1 0 387.293 2.250 20 0 GEADRO C[C@@H](CNC(=O)c1cc(I)nn1C)[N@@H+]1CCCC[C@H]1C ZINC000864871620 653747382 /nfs/dbraw/zinc/74/73/82/653747382.db2.gz ILRNPSLFIXVGHR-MNOVXSKESA-N 1 0 390.269 2.017 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cn2)CCN1c1cccc(Br)c1 ZINC000819267122 653747533 /nfs/dbraw/zinc/74/75/33/653747533.db2.gz JNNNKVRBYGPPHS-JKSUJKDBSA-N 1 0 394.244 2.412 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842205072 653747824 /nfs/dbraw/zinc/74/78/24/653747824.db2.gz BFFPBBGWHMJLMD-UHFFFAOYSA-N 1 0 378.782 2.247 20 0 GEADRO CON(C)C(=O)CC[NH2+]Cc1ccc(I)cc1Cl ZINC000819278465 653748008 /nfs/dbraw/zinc/74/80/08/653748008.db2.gz FRAZZSYLYPHFLK-UHFFFAOYSA-N 1 0 382.629 2.444 20 0 GEADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000881900045 653748228 /nfs/dbraw/zinc/74/82/28/653748228.db2.gz KWXPNIPJTMVTQL-OCCSQVGLSA-N 1 0 385.357 2.133 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000819308378 653748833 /nfs/dbraw/zinc/74/88/33/653748833.db2.gz ROBJDYWEEZMYMJ-HUUCEWRRSA-N 1 0 380.432 2.143 20 0 GEADRO COc1ccc(Br)c([C@H]2C(=O)N(C3CC[NH+](C)CC3)C(=O)N2C)c1 ZINC000842236638 653749101 /nfs/dbraw/zinc/74/91/01/653749101.db2.gz UPTIREYAUOUSTF-HNNXBMFYSA-N 1 0 396.285 2.487 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc3ccccc3nc2Br)CC1 ZINC000842224718 653749200 /nfs/dbraw/zinc/74/92/00/653749200.db2.gz HKZATXUAMQONCG-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO C[NH+]1CCC(N2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)CC1 ZINC000842234595 653749215 /nfs/dbraw/zinc/74/92/15/653749215.db2.gz HLDHZOUVSHPVPK-HNNXBMFYSA-N 1 0 378.270 2.232 20 0 GEADRO CCC(O)(CC)CC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000788076058 653749372 /nfs/dbraw/zinc/74/93/72/653749372.db2.gz CMLNXCCCQUTGAQ-ZDUSSCGKSA-N 1 0 377.938 2.235 20 0 GEADRO CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819343710 653749593 /nfs/dbraw/zinc/74/95/93/653749593.db2.gz ALWGGRHSSHFKDP-LYRGGWFBSA-N 1 0 376.266 2.437 20 0 GEADRO O[C@H](C[NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Cl)cc1Cl ZINC000819361860 653749835 /nfs/dbraw/zinc/74/98/35/653749835.db2.gz UQLXYUKPCFRLBC-QGZVFWFLSA-N 1 0 389.323 2.498 20 0 GEADRO CN(CC1CC[NH+](C)CC1)c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000881920126 653750198 /nfs/dbraw/zinc/75/01/98/653750198.db2.gz XVHNGAWCSVECPR-UHFFFAOYSA-N 1 0 397.239 2.346 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000865048821 653752017 /nfs/dbraw/zinc/75/20/17/653752017.db2.gz DJKZTBFXJNAQRR-FMKPAKJESA-N 1 0 396.329 2.475 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)c1cccc(Br)c1 ZINC000865124456 653754490 /nfs/dbraw/zinc/75/44/90/653754490.db2.gz BOBFXJBXLXCMHP-CVEARBPZSA-N 1 0 382.302 2.179 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000865125448 653754653 /nfs/dbraw/zinc/75/46/53/653754653.db2.gz GWTIIFXMKWRXOD-LRDDRELGSA-N 1 0 384.318 2.473 20 0 GEADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000788383638 653755274 /nfs/dbraw/zinc/75/52/74/653755274.db2.gz SBSOITOZSPPZLH-QGZVFWFLSA-N 1 0 390.285 2.186 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Br)cn2ccnc12 ZINC000865178398 653756330 /nfs/dbraw/zinc/75/63/30/653756330.db2.gz UOMNOTYHMCLZKE-AWEZNQCLSA-N 1 0 395.301 2.280 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2nc(Br)sc2Cl)C1 ZINC000865196152 653756725 /nfs/dbraw/zinc/75/67/25/653756725.db2.gz ZSAUYWMYDMGWNS-QMMMGPOBSA-N 1 0 382.711 2.400 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000842485946 653758604 /nfs/dbraw/zinc/75/86/04/653758604.db2.gz QSDNEINYHXDELI-QWHCGFSZSA-N 1 0 394.324 2.295 20 0 GEADRO C[C@@H]1CC2(CN1C(=O)c1cccnc1I)CC[NH2+]CC2 ZINC000842515001 653759159 /nfs/dbraw/zinc/75/91/59/653759159.db2.gz MEFJWEVOCVMMHL-LLVKDONJSA-N 1 0 385.249 2.290 20 0 GEADRO O=C(NCCSC(F)(F)F)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000788555474 653759608 /nfs/dbraw/zinc/75/96/08/653759608.db2.gz APZLTURAJOLAIZ-UHFFFAOYSA-N 1 0 381.464 2.269 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1Cl ZINC000788597689 653760398 /nfs/dbraw/zinc/76/03/98/653760398.db2.gz VBGYVQSHJZTFOH-QWRGUYRKSA-N 1 0 392.930 2.402 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc(-c2ccc3ncc(I)n3c2)n1 ZINC000842631460 653761311 /nfs/dbraw/zinc/76/13/11/653761311.db2.gz OFACOOOMPDQHQO-QMMMGPOBSA-N 1 0 383.193 2.139 20 0 GEADRO Ic1cnc2c(-c3nc([C@@H]4CCC[NH2+]C4)no3)cccn12 ZINC000842668709 653762047 /nfs/dbraw/zinc/76/20/47/653762047.db2.gz IPDZAXFEFROIFC-SECBINFHSA-N 1 0 395.204 2.456 20 0 GEADRO O=S(=O)(c1ccc(C[NH2+]C2CCC(F)(F)CC2)s1)N1CCOCC1 ZINC000842670648 653762178 /nfs/dbraw/zinc/76/21/78/653762178.db2.gz RWVKQWWOHITHGJ-UHFFFAOYSA-N 1 0 380.482 2.437 20 0 GEADRO C[NH+](C)[C@@H](CNc1ccc(Br)cc1S(N)(=O)=O)c1ccco1 ZINC000865406418 653764375 /nfs/dbraw/zinc/76/43/75/653764375.db2.gz SOWWAABQTLSICA-LBPRGKRZSA-N 1 0 388.287 2.404 20 0 GEADRO C[NH+]1CCN(c2ccc(CNCc3cccnc3Br)cn2)CC1 ZINC000865410364 653764658 /nfs/dbraw/zinc/76/46/58/653764658.db2.gz RDWWOXYIKQQDCO-UHFFFAOYSA-N 1 0 376.302 2.281 20 0 GEADRO Cc1ccnc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1Br ZINC000865426352 653764890 /nfs/dbraw/zinc/76/48/90/653764890.db2.gz LZVPPWLVSRMWGL-INIZCTEOSA-N 1 0 386.359 2.450 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c(C)c1Cl ZINC000842726141 653764940 /nfs/dbraw/zinc/76/49/40/653764940.db2.gz TUOZDWPNTBXASS-ZJUUUORDSA-N 1 0 380.919 2.292 20 0 GEADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000842733378 653765112 /nfs/dbraw/zinc/76/51/12/653765112.db2.gz BULZNDPICVUUIH-UHFFFAOYSA-N 1 0 383.283 2.393 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c1 ZINC000842737087 653765392 /nfs/dbraw/zinc/76/53/92/653765392.db2.gz GWZHJLNSRUJGAA-UHFFFAOYSA-N 1 0 377.304 2.348 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000842746097 653765799 /nfs/dbraw/zinc/76/57/99/653765799.db2.gz NOAOEMGRUIXMBK-SNVBAGLBSA-N 1 0 380.695 2.013 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000820081126 653766319 /nfs/dbraw/zinc/76/63/19/653766319.db2.gz UOOKVROBADGPCN-OFQRWUPVSA-N 1 0 379.376 2.484 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000842762386 653766372 /nfs/dbraw/zinc/76/63/72/653766372.db2.gz FJPMUDVWYIUICF-HNNXBMFYSA-N 1 0 387.299 2.026 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000842766396 653766467 /nfs/dbraw/zinc/76/64/67/653766467.db2.gz SDOAXFIWTXZXKD-QGZVFWFLSA-N 1 0 381.885 2.271 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]CC(=O)N(CC)OC)cc1OC ZINC000842767524 653766542 /nfs/dbraw/zinc/76/65/42/653766542.db2.gz CFHSVYMZEPPWID-UHFFFAOYSA-N 1 0 375.263 2.356 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)c(Cl)cc1Cl ZINC000842774257 653766648 /nfs/dbraw/zinc/76/66/48/653766648.db2.gz BXWVAKBXCZRKBL-UHFFFAOYSA-N 1 0 381.281 2.282 20 0 GEADRO CC(=O)NCC1CCC([NH2+]C[C@H](O)COc2ccccc2Br)CC1 ZINC000865493670 653766708 /nfs/dbraw/zinc/76/67/08/653766708.db2.gz LSEGMNRDOLEUEY-GPANFISMSA-N 1 0 399.329 2.473 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)ccc1Cl ZINC000865514735 653767117 /nfs/dbraw/zinc/76/71/17/653767117.db2.gz SLEHVJUNGVALSD-MBNYWOFBSA-N 1 0 378.972 2.457 20 0 GEADRO CCn1ncc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c1Br ZINC000820146804 653767491 /nfs/dbraw/zinc/76/74/91/653767491.db2.gz VQFNMUWPVNPUBT-UHFFFAOYSA-N 1 0 394.273 2.078 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H]1CCCCS1(=O)=O)CC(F)(F)F ZINC000865526783 653767633 /nfs/dbraw/zinc/76/76/33/653767633.db2.gz XPZONLZRKSUNKB-VXGBXAGGSA-N 1 0 388.452 2.389 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CC[C@H]1[NH3+] ZINC000842793972 653767666 /nfs/dbraw/zinc/76/76/66/653767666.db2.gz VCYUXTAGDFPHJP-PSASIEDQSA-N 1 0 382.711 2.245 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CC1(S(C)(=O)=O)CCC1)CC(F)(F)F ZINC000865548380 653768291 /nfs/dbraw/zinc/76/82/91/653768291.db2.gz GKSZGJVBAOYIPJ-NSHDSACASA-N 1 0 388.452 2.389 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccnc1Br ZINC000865564052 653768655 /nfs/dbraw/zinc/76/86/55/653768655.db2.gz BECRDRNYOMGLGT-DGCLKSJQSA-N 1 0 376.320 2.042 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)C1 ZINC000865584357 653768970 /nfs/dbraw/zinc/76/89/70/653768970.db2.gz PXWLKYKBUAKQBO-QMCVQRASSA-N 1 0 379.298 2.172 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(Cl)cc1Cl ZINC000842814185 653769127 /nfs/dbraw/zinc/76/91/27/653769127.db2.gz GKLJMBPKCNPHHB-DTWKUNHWSA-N 1 0 381.281 2.199 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000842827452 653770037 /nfs/dbraw/zinc/77/00/37/653770037.db2.gz HYEIJCLBXMOWJG-CQSZACIVSA-N 1 0 395.294 2.265 20 0 GEADRO CN1CCC[C@]2(CCN(S(=O)(=O)N=[S@](C)(=O)C3CCCCC3)C2)C1 ZINC000882221273 653770450 /nfs/dbraw/zinc/77/04/50/653770450.db2.gz JLHGYHZNBWWOGP-QMHKHESXSA-N 1 0 377.576 2.079 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])ccc1Br ZINC000842869751 653771198 /nfs/dbraw/zinc/77/11/98/653771198.db2.gz QIRSNVHNYOQRNI-SNVBAGLBSA-N 1 0 377.304 2.448 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1Cl ZINC000842872299 653771322 /nfs/dbraw/zinc/77/13/22/653771322.db2.gz MJEQJIISGVOSSV-PHIMTYICSA-N 1 0 392.930 2.117 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Br)nc1OC ZINC000789374856 653772895 /nfs/dbraw/zinc/77/28/95/653772895.db2.gz YUERGOKRZQBBMV-NSHDSACASA-N 1 0 389.294 2.331 20 0 GEADRO CCOc1cc(C[NH2+]C[C@@H](O)[C@H](C)O)cc(Br)c1OC(F)F ZINC000865740637 653773559 /nfs/dbraw/zinc/77/35/59/653773559.db2.gz JUAZEQJSONSVML-GZMMTYOYSA-N 1 0 384.217 2.281 20 0 GEADRO O=C1OC[C@]2(C[NH2+]Cc3ccc(Cl)cc3Br)COCCN12 ZINC000865768780 653774178 /nfs/dbraw/zinc/77/41/78/653774178.db2.gz BYUCPMONUQGMET-AWEZNQCLSA-N 1 0 375.650 2.413 20 0 GEADRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1cccc(NS(C)(=O)=O)c1 ZINC000820427049 653774274 /nfs/dbraw/zinc/77/42/74/653774274.db2.gz OUTWMPCGEIXBFQ-JTQLQIEISA-N 1 0 378.483 2.151 20 0 GEADRO O=C1OC[C@]2(C[NH2+]Cc3ccc(Br)cc3Cl)COCCN12 ZINC000865769507 653774344 /nfs/dbraw/zinc/77/43/44/653774344.db2.gz KIVAKNUGPZQFOV-AWEZNQCLSA-N 1 0 375.650 2.413 20 0 GEADRO C[C@H](CNC(=O)c1cc(F)c(Br)cc1F)C[NH+]1CCN(C)CC1 ZINC000865802779 653775631 /nfs/dbraw/zinc/77/56/31/653775631.db2.gz OCJOTFYRKYZUKS-LLVKDONJSA-N 1 0 390.272 2.341 20 0 GEADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)C2)CC1 ZINC000882346156 653777182 /nfs/dbraw/zinc/77/71/82/653777182.db2.gz OYBUOIJYMNCLOY-UHFFFAOYSA-N 1 0 384.370 2.489 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc4c(Br)cnn4c3)[C@H]2C1 ZINC000820587993 653777263 /nfs/dbraw/zinc/77/72/63/653777263.db2.gz MBMCICXAVRMDIT-JKSUJKDBSA-N 1 0 393.285 2.032 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000843041445 653777801 /nfs/dbraw/zinc/77/78/01/653777801.db2.gz YTROTOXOPUXAAS-MNOVXSKESA-N 1 0 377.894 2.011 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000843052100 653778039 /nfs/dbraw/zinc/77/80/39/653778039.db2.gz MNOMDPHLXDQUEL-UHFFFAOYSA-N 1 0 378.217 2.301 20 0 GEADRO CN(CCC[NH3+])Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000843050746 653778085 /nfs/dbraw/zinc/77/80/85/653778085.db2.gz RWLRKQPKXVIXDI-UHFFFAOYSA-N 1 0 395.388 2.366 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843051282 653778127 /nfs/dbraw/zinc/77/81/27/653778127.db2.gz WCGMNRDKQMAKAW-UHFFFAOYSA-N 1 0 386.290 2.340 20 0 GEADRO C[C@H](C[NH3+])N(C)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000843052238 653778334 /nfs/dbraw/zinc/77/83/34/653778334.db2.gz QLNDUECDDKKWGE-LLVKDONJSA-N 1 0 395.388 2.365 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H](O)C2CCCC2)cc1Br ZINC000865878119 653778441 /nfs/dbraw/zinc/77/84/41/653778441.db2.gz ZVFIPXMUCLVQLK-AWEZNQCLSA-N 1 0 391.331 2.127 20 0 GEADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084842 653778798 /nfs/dbraw/zinc/77/87/98/653778798.db2.gz RWFXPOBQPOBVLB-HOTGVXAUSA-N 1 0 387.860 2.239 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000843085251 653778810 /nfs/dbraw/zinc/77/88/10/653778810.db2.gz HAERVLGJWNCWBP-FZMZJTMJSA-N 1 0 376.856 2.378 20 0 GEADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000843095692 653779069 /nfs/dbraw/zinc/77/90/69/653779069.db2.gz VTJLKWUCXSUPTQ-SWLSCSKDSA-N 1 0 376.856 2.378 20 0 GEADRO OCCCN1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000843093681 653779141 /nfs/dbraw/zinc/77/91/41/653779141.db2.gz HASDBPRSBXBNEB-CZUORRHYSA-N 1 0 375.282 2.058 20 0 GEADRO C[C@@H]1C[C@@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000820656116 653779627 /nfs/dbraw/zinc/77/96/27/653779627.db2.gz DCMHBPCISVVLSD-MWLCHTKSSA-N 1 0 377.905 2.432 20 0 GEADRO Cn1nc(I)cc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000865914118 653779625 /nfs/dbraw/zinc/77/96/25/653779625.db2.gz CIYONAREPXEEKB-LLVKDONJSA-N 1 0 392.285 2.121 20 0 GEADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@@H]1O)COc1cccc(Br)c1 ZINC000843115845 653780002 /nfs/dbraw/zinc/78/00/02/653780002.db2.gz JYDQHVPJSPAABX-QBIMZIAESA-N 1 0 394.265 2.273 20 0 GEADRO C[C@@H]1CN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C[C@H](C)[N@H+]1C ZINC000820688509 653780540 /nfs/dbraw/zinc/78/05/40/653780540.db2.gz SZAUWJXINZXGHN-NTZNESFSSA-N 1 0 380.286 2.426 20 0 GEADRO CS(=O)(=O)c1cc(-c2nc(C3CC[NH2+]CC3)no2)ccc1Br ZINC000843139086 653780564 /nfs/dbraw/zinc/78/05/64/653780564.db2.gz OZAWYOHCBIJARO-UHFFFAOYSA-N 1 0 386.271 2.370 20 0 GEADRO Brc1cc2c(cc1Cc1noc(C[C@@H]3CSCC[NH2+]3)n1)OCO2 ZINC000843202865 653781285 /nfs/dbraw/zinc/78/12/85/653781285.db2.gz LRYDZEOCMCGVEX-SNVBAGLBSA-N 1 0 398.282 2.399 20 0 GEADRO [NH3+]CCOCc1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000843202873 653781440 /nfs/dbraw/zinc/78/14/40/653781440.db2.gz MEOYCCPHNCTPGK-UHFFFAOYSA-N 1 0 384.230 2.060 20 0 GEADRO Ic1cnc2ccc(-c3noc(C[NH2+]CC4CC4)n3)cn12 ZINC000843224750 653781874 /nfs/dbraw/zinc/78/18/74/653781874.db2.gz SORGJFWDTZPGPV-UHFFFAOYSA-N 1 0 395.204 2.489 20 0 GEADRO Fc1ccc(Br)nc1-c1noc(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000843226884 653781885 /nfs/dbraw/zinc/78/18/85/653781885.db2.gz NRUAGEJUNQZJGU-UHFFFAOYSA-N 1 0 394.208 2.216 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+]2CC)c1 ZINC000882479459 653784074 /nfs/dbraw/zinc/78/40/74/653784074.db2.gz WTWUSZJWHQGJSO-CYBMUJFWSA-N 1 0 387.933 2.195 20 0 GEADRO O=C(Nc1nc(Br)ccc1O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000790042726 653785473 /nfs/dbraw/zinc/78/54/73/653785473.db2.gz KODVCKZKFJRRCS-QGZVFWFLSA-N 1 0 392.253 2.125 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843451766 653787212 /nfs/dbraw/zinc/78/72/12/653787212.db2.gz XTFYMMGWNBRUPX-CQSZACIVSA-N 1 0 377.901 2.240 20 0 GEADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843448593 653787216 /nfs/dbraw/zinc/78/72/16/653787216.db2.gz BEPPFSSNSZTUSW-CZUORRHYSA-N 1 0 377.243 2.285 20 0 GEADRO C[C@H](CC(=O)Nc1cnn(C2CC[NH2+]CC2)c1)n1cc(Br)cn1 ZINC000843460216 653787340 /nfs/dbraw/zinc/78/73/40/653787340.db2.gz ZAKPOXQSOGHWCF-LLVKDONJSA-N 1 0 381.278 2.356 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)/C=C\c3ccc(I)o3)C[C@H]21 ZINC000843454068 653787387 /nfs/dbraw/zinc/78/73/87/653787387.db2.gz IZLQZUCHYBKRCK-MYKJNXRQSA-N 1 0 386.233 2.483 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000820968685 653787691 /nfs/dbraw/zinc/78/76/91/653787691.db2.gz FTRRERPXKMLUTD-UHFFFAOYSA-N 1 0 375.441 2.395 20 0 GEADRO Cc1ccc(/C=C/C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000843481330 653787984 /nfs/dbraw/zinc/78/79/84/653787984.db2.gz RWLOJDDGTAHQLO-APHBUQMISA-N 1 0 378.314 2.277 20 0 GEADRO Cc1ccc(/C=C/C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000843478289 653787995 /nfs/dbraw/zinc/78/79/95/653787995.db2.gz TWNAVMBJZWITPP-APHBUQMISA-N 1 0 378.314 2.277 20 0 GEADRO Cc1ccc(/C=C\C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000843481333 653788026 /nfs/dbraw/zinc/78/80/26/653788026.db2.gz RWLOJDDGTAHQLO-YIEVGGLXSA-N 1 0 378.314 2.277 20 0 GEADRO C[C@@H](CNC(=O)/C=C\CN1CCOCC1)Oc1ccc(Br)cc1 ZINC000866182862 653788259 /nfs/dbraw/zinc/78/82/59/653788259.db2.gz GSFOKBLCSOOSBR-SFAKSCPVSA-N 1 0 383.286 2.221 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(F)cc(Br)c1F ZINC000820989863 653788354 /nfs/dbraw/zinc/78/83/54/653788354.db2.gz CQPRWWITLIDNSW-LLVKDONJSA-N 1 0 377.229 2.304 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000843502770 653788481 /nfs/dbraw/zinc/78/84/81/653788481.db2.gz FSYQPLCWDFGACL-OLZOCXBDSA-N 1 0 387.933 2.370 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000866194958 653788515 /nfs/dbraw/zinc/78/85/15/653788515.db2.gz ZWOPZDASYQZBED-YOEHRIQHSA-N 1 0 396.329 2.427 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000843503046 653788539 /nfs/dbraw/zinc/78/85/39/653788539.db2.gz IZWYFHFIIRROMJ-QWRGUYRKSA-N 1 0 375.922 2.272 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCCC[NH2+]C2CC2)ccc1Cl ZINC000843512404 653788894 /nfs/dbraw/zinc/78/88/94/653788894.db2.gz KFWWYXMHZZRSBQ-UHFFFAOYSA-N 1 0 387.933 2.289 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cn(-c2ccccc2Br)nn1 ZINC000843513536 653789060 /nfs/dbraw/zinc/78/90/60/653789060.db2.gz HEXUSGCAZIKAME-HNNXBMFYSA-N 1 0 390.285 2.434 20 0 GEADRO CN(Cc1cc(Br)cn1C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790374965 653790291 /nfs/dbraw/zinc/79/02/91/653790291.db2.gz VDCYXSWGZTVDHE-QGZVFWFLSA-N 1 0 397.317 2.094 20 0 GEADRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)N=S(=O)(CC)CC)CC1 ZINC000882618614 653790960 /nfs/dbraw/zinc/79/09/60/653790960.db2.gz VTRLFULBPWVYOA-UHFFFAOYSA-N 1 0 379.592 2.470 20 0 GEADRO COc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cnc1Cl ZINC000882620542 653791058 /nfs/dbraw/zinc/79/10/58/653791058.db2.gz MWBIOPCKLLYTBQ-LBPRGKRZSA-N 1 0 382.873 2.038 20 0 GEADRO COc1ncc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1Cl ZINC000882620027 653791077 /nfs/dbraw/zinc/79/10/77/653791077.db2.gz ZAXAIMWOSSXFGU-LBPRGKRZSA-N 1 0 382.873 2.038 20 0 GEADRO CC(=O)NCC1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000866352851 653791321 /nfs/dbraw/zinc/79/13/21/653791321.db2.gz UZTVGBSOAKTYMU-VDSRIPIWSA-N 1 0 382.302 2.260 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866410022 653793849 /nfs/dbraw/zinc/79/38/49/653793849.db2.gz CRVKKYCHVYGZGM-CZUORRHYSA-N 1 0 386.539 2.396 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000843783756 653793920 /nfs/dbraw/zinc/79/39/20/653793920.db2.gz AONCAFPKAPVQPG-UHFFFAOYSA-N 1 0 381.523 2.038 20 0 GEADRO C[C@H](CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)n1cc(Br)cn1 ZINC000843797435 653794442 /nfs/dbraw/zinc/79/44/42/653794442.db2.gz VGGNLKKZRYGIFC-CZUORRHYSA-N 1 0 399.333 2.356 20 0 GEADRO COc1cccc([C@H](C)[NH+]2CCN(CCn3cnc(Br)n3)CC2)c1 ZINC000821368947 653796237 /nfs/dbraw/zinc/79/62/37/653796237.db2.gz QEKWWRGCLWMYBB-AWEZNQCLSA-N 1 0 394.317 2.428 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1(C)C ZINC000790854216 653799151 /nfs/dbraw/zinc/79/91/51/653799151.db2.gz RVSYIYQAHXZABC-XJKSGUPXSA-N 1 0 377.360 2.238 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@@H]3CCCOc4cc(Br)ccc43)COCCN12 ZINC000866523696 653800595 /nfs/dbraw/zinc/80/05/95/653800595.db2.gz FYTFFHBHGFVXBH-PBHICJAKSA-N 1 0 397.269 2.474 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Cl)ncc1Br)CCO2 ZINC000844093255 653801189 /nfs/dbraw/zinc/80/11/89/653801189.db2.gz BPYYVJZUKKSFFS-UHFFFAOYSA-N 1 0 388.693 2.434 20 0 GEADRO Cn1cc(Cl)cc1C[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000821598351 653801669 /nfs/dbraw/zinc/80/16/69/653801669.db2.gz ZJNJJFDTOBXNCQ-UHFFFAOYSA-N 1 0 379.877 2.381 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000790968291 653801981 /nfs/dbraw/zinc/80/19/81/653801981.db2.gz NFKMQFPFXXQZPH-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)(C[NH2+][C@@H]1CCc2c1c(Br)ccc2F)CS(N)(=O)=O ZINC000866569980 653802580 /nfs/dbraw/zinc/80/25/80/653802580.db2.gz GESYXLLXRUQCOT-GFCCVEGCSA-N 1 0 379.295 2.480 20 0 GEADRO C[C@](C[NH3+])(NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)C1CC1 ZINC000844164303 653802791 /nfs/dbraw/zinc/80/27/91/653802791.db2.gz XGBAYWWKALAVEE-QGZVFWFLSA-N 1 0 378.523 2.172 20 0 GEADRO CC[NH+]1CCC(NC(=O)CCn2c(C)c(C)sc2=O)(C(F)(F)F)CC1 ZINC000821652846 653802861 /nfs/dbraw/zinc/80/28/61/653802861.db2.gz BHQIJAHWZDFYRX-UHFFFAOYSA-N 1 0 379.448 2.450 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000844164510 653802895 /nfs/dbraw/zinc/80/28/95/653802895.db2.gz AGUUASJFXMWFTC-UHFFFAOYSA-N 1 0 377.286 2.341 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000844192963 653802968 /nfs/dbraw/zinc/80/29/68/653802968.db2.gz FDDRQJNOYVEXBY-UHFFFAOYSA-N 1 0 393.289 2.283 20 0 GEADRO CC1(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[NH2+]CC1 ZINC000844196616 653803250 /nfs/dbraw/zinc/80/32/50/653803250.db2.gz LZKDPLOANKBIJY-UHFFFAOYSA-N 1 0 378.523 2.187 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cccn2c(I)cnc12 ZINC000844197977 653803265 /nfs/dbraw/zinc/80/32/65/653803265.db2.gz BXELZUBLYFWHAK-JTQLQIEISA-N 1 0 386.237 2.042 20 0 GEADRO OCC1([NH2+]CC2CC2)CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000844333803 653805179 /nfs/dbraw/zinc/80/51/79/653805179.db2.gz BGGIEWLYCIIDLC-QGZVFWFLSA-N 1 0 383.330 2.309 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1 ZINC000844373757 653805430 /nfs/dbraw/zinc/80/54/30/653805430.db2.gz PRLKDKUIFPLCIB-QAPCUYQASA-N 1 0 386.945 2.295 20 0 GEADRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844377449 653805439 /nfs/dbraw/zinc/80/54/39/653805439.db2.gz HBHQAGDQTITULM-BXUZGUMPSA-N 1 0 378.441 2.008 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3[C@H]4Cc5ccc(Br)cc5[C@@H]34)CC2)N1 ZINC000866608819 653806174 /nfs/dbraw/zinc/80/61/74/653806174.db2.gz FPHSCUVZTOPQBT-XVSIGTSTSA-N 1 0 390.281 2.198 20 0 GEADRO CC(C)(CNC(=O)c1nccn2c(Br)cnc12)C[NH+]1CCCC1 ZINC000791223581 653806216 /nfs/dbraw/zinc/80/62/16/653806216.db2.gz GNUIUGXQYJWWLH-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1cnn(C)c1Br ZINC000866631394 653807149 /nfs/dbraw/zinc/80/71/49/653807149.db2.gz NOYSWSLGBVAJBR-UHFFFAOYSA-N 1 0 393.351 2.068 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1csc(Br)n1 ZINC000821815656 653807896 /nfs/dbraw/zinc/80/78/96/653807896.db2.gz FMEZRIJHJGHTHI-ZDUSSCGKSA-N 1 0 396.310 2.402 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000844565815 653808916 /nfs/dbraw/zinc/80/89/16/653808916.db2.gz PVLIRALLYLAGAE-UHFFFAOYSA-N 1 0 386.587 2.201 20 0 GEADRO Cc1ccc2[nH]c(C(=O)NCC[NH+]3CCC(O)CC3)cc2c1Br ZINC000821863406 653809827 /nfs/dbraw/zinc/80/98/27/653809827.db2.gz LUYDNPZCKJNJFE-UHFFFAOYSA-N 1 0 380.286 2.425 20 0 GEADRO Cc1ccc(Br)c2[nH]c(C(=O)NCC[NH+]3CCC(O)CC3)cc21 ZINC000821870450 653810272 /nfs/dbraw/zinc/81/02/72/653810272.db2.gz NXAYSSUWUDEWKW-UHFFFAOYSA-N 1 0 380.286 2.425 20 0 GEADRO Cc1c(Cl)c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)sc1S(N)(=O)=O ZINC000791366032 653811022 /nfs/dbraw/zinc/81/10/22/653811022.db2.gz FRHVHXDURCGWGE-JTQLQIEISA-N 1 0 395.978 2.454 20 0 GEADRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2cccnc2Br)C[C@H](C)O1 ZINC000791381831 653811810 /nfs/dbraw/zinc/81/18/10/653811810.db2.gz WWBGVINSEXUXPW-OKILXGFUSA-N 1 0 384.318 2.392 20 0 GEADRO CC1(C)CC[NH2+]CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000866700331 653812874 /nfs/dbraw/zinc/81/28/74/653812874.db2.gz ZRGASIRJGFYCDJ-UHFFFAOYSA-N 1 0 375.332 2.297 20 0 GEADRO CC(C)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)C1(O)CCOCC1 ZINC000895026895 653813520 /nfs/dbraw/zinc/81/35/20/653813520.db2.gz ZGSUIFWPDHYEER-UHFFFAOYSA-N 1 0 389.949 2.290 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866737091 653817038 /nfs/dbraw/zinc/81/70/38/653817038.db2.gz JSWWVQWDNDSBGS-ZYHUDNBSSA-N 1 0 379.404 2.078 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000866737634 653817240 /nfs/dbraw/zinc/81/72/40/653817240.db2.gz GYVMNGQGKDZBPG-LLVKDONJSA-N 1 0 377.304 2.101 20 0 GEADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000866737107 653817248 /nfs/dbraw/zinc/81/72/48/653817248.db2.gz AYPROWGKYWLCDM-SECBINFHSA-N 1 0 390.328 2.418 20 0 GEADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)C[C@@]3(C)CC3(Cl)Cl)CC2)c1 ZINC000866739012 653817499 /nfs/dbraw/zinc/81/74/99/653817499.db2.gz VVJGXHGESURHPW-CQSZACIVSA-N 1 0 394.324 2.126 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)cn1 ZINC000791563471 653817677 /nfs/dbraw/zinc/81/76/77/653817677.db2.gz LMDJCLTUDQDQNC-HNNXBMFYSA-N 1 0 379.258 2.149 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000866745799 653818359 /nfs/dbraw/zinc/81/83/59/653818359.db2.gz LSCZZGVMOUUPBM-INIZCTEOSA-N 1 0 387.933 2.112 20 0 GEADRO CCS(=O)(=O)CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844793084 653818355 /nfs/dbraw/zinc/81/83/55/653818355.db2.gz RPQODXNSIRUUHH-UHFFFAOYSA-N 1 0 385.555 2.431 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000822156685 653819628 /nfs/dbraw/zinc/81/96/28/653819628.db2.gz WBNODPFNCTVQOV-UONOGXRCSA-N 1 0 376.400 2.337 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1csc(I)n1 ZINC000822156448 653819793 /nfs/dbraw/zinc/81/97/93/653819793.db2.gz RMAHBDNASYSJNN-WPRPVWTQSA-N 1 0 377.251 2.104 20 0 GEADRO CC1([NH+]2CCC2)CCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000882964605 653819881 /nfs/dbraw/zinc/81/98/81/653819881.db2.gz JBJZVRSKOICTFR-UHFFFAOYSA-N 1 0 377.432 2.417 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000866762562 653821119 /nfs/dbraw/zinc/82/11/19/653821119.db2.gz VGZUFBYSAACJPB-LBPRGKRZSA-N 1 0 391.331 2.348 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000866762561 653821172 /nfs/dbraw/zinc/82/11/72/653821172.db2.gz VGZUFBYSAACJPB-GFCCVEGCSA-N 1 0 391.331 2.348 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000895216088 653822843 /nfs/dbraw/zinc/82/28/43/653822843.db2.gz TWZZMANXAUWTJM-CYBMUJFWSA-N 1 0 378.274 2.183 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1(Cl)Cl ZINC000866775240 653823605 /nfs/dbraw/zinc/82/36/05/653823605.db2.gz YFXCHRLMTZTKGA-IGQOVBAYSA-N 1 0 385.357 2.118 20 0 GEADRO COC(=O)c1cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cs1 ZINC000895230929 653823801 /nfs/dbraw/zinc/82/38/01/653823801.db2.gz OAQSQUKEBAHPLO-UHFFFAOYSA-N 1 0 398.282 2.212 20 0 GEADRO O=[S@@](CC[NH2+]Cc1sc(N2CCOCC2)nc1Cl)CC(F)(F)F ZINC000895231693 653823829 /nfs/dbraw/zinc/82/38/29/653823829.db2.gz SSJIVTDLUVITIF-QHCPKHFHSA-N 1 0 391.868 2.034 20 0 GEADRO COC[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)C1CCOCC1 ZINC000895230521 653823932 /nfs/dbraw/zinc/82/39/32/653823932.db2.gz LEFJQEVNTJPMNP-ZDUSSCGKSA-N 1 0 375.922 2.164 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)CC[C@@H]1C(F)(F)F ZINC000866778653 653824501 /nfs/dbraw/zinc/82/45/01/653824501.db2.gz BEILRSJBAZAIQU-YUMQZZPRSA-N 1 0 375.775 2.022 20 0 GEADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cn(C)nc2I)cn1 ZINC000895277995 653825909 /nfs/dbraw/zinc/82/59/09/653825909.db2.gz NUPHFIBZVOWDEZ-GXTWGEPZSA-N 1 0 399.280 2.259 20 0 GEADRO Cc1ccc(Br)c(CS(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000866788450 653826387 /nfs/dbraw/zinc/82/63/87/653826387.db2.gz UGDPHHVTOYCGNM-CYBMUJFWSA-N 1 0 375.332 2.471 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000866787928 653826420 /nfs/dbraw/zinc/82/64/20/653826420.db2.gz QUWRFKIHHLKELL-GFCCVEGCSA-N 1 0 391.331 2.171 20 0 GEADRO O=S(=O)(C[C@@H]1CCCC(F)(F)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000866792044 653826994 /nfs/dbraw/zinc/82/69/94/653826994.db2.gz RGJYWWNTTLRKOG-ZBFHGGJFSA-N 1 0 380.501 2.375 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866792026 653827046 /nfs/dbraw/zinc/82/70/46/653827046.db2.gz QSSGITBPGATQRJ-AOOOYVTPSA-N 1 0 395.706 2.236 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866794038 653827454 /nfs/dbraw/zinc/82/74/54/653827454.db2.gz HBROKPVEUDEJEH-MKQDKFQKSA-N 1 0 388.917 2.398 20 0 GEADRO CC(C)(C)N1C[C@H](C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1=O ZINC000895332764 653828303 /nfs/dbraw/zinc/82/83/03/653828303.db2.gz PLFZIGRVXCXYFU-LBPRGKRZSA-N 1 0 386.949 2.370 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822452311 653828650 /nfs/dbraw/zinc/82/86/50/653828650.db2.gz YKOIGWUCCUEXCP-GJZGRUSLSA-N 1 0 377.551 2.036 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000895342686 653828988 /nfs/dbraw/zinc/82/89/88/653828988.db2.gz HHRZQYQOFLICRQ-CQSZACIVSA-N 1 0 383.290 2.232 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(Br)c(C)c2)CC[NH2+]CC1 ZINC000866820345 653832277 /nfs/dbraw/zinc/83/22/77/653832277.db2.gz GNHUIBFRIPKXHN-UHFFFAOYSA-N 1 0 391.331 2.195 20 0 GEADRO COCCC1(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC[NH2+]CC1 ZINC000866821031 653832560 /nfs/dbraw/zinc/83/25/60/653832560.db2.gz OHRIRFKFALMJFM-UHFFFAOYSA-N 1 0 382.404 2.022 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(C)c(Br)c2)CC[NH2+]CC1 ZINC000866821499 653832809 /nfs/dbraw/zinc/83/28/09/653832809.db2.gz HPLVWGWMUJGHSQ-UHFFFAOYSA-N 1 0 391.331 2.195 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)n1C ZINC000883232968 653832926 /nfs/dbraw/zinc/83/29/26/653832926.db2.gz WXKGPEUOFYCEAL-WOVMCDHWSA-N 1 0 379.302 2.388 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866822114 653832980 /nfs/dbraw/zinc/83/29/80/653832980.db2.gz AADWTYHOHXITJT-CFVMTHIKSA-N 1 0 388.917 2.269 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866822495 653833019 /nfs/dbraw/zinc/83/30/19/653833019.db2.gz BNBHTJPMNUEJOJ-NWDGAFQWSA-N 1 0 393.278 2.112 20 0 GEADRO C[C@H]([NH2+]CCc1ccns1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000883248838 653833231 /nfs/dbraw/zinc/83/32/31/653833231.db2.gz IATKAYSYUTYPBU-AWEZNQCLSA-N 1 0 381.523 2.057 20 0 GEADRO OC[C@@H](C[NH2+]Cc1ncc(I)s1)Cc1ccoc1 ZINC000883271967 653833367 /nfs/dbraw/zinc/83/33/67/653833367.db2.gz ZUEYMYLSFCGCQF-SNVBAGLBSA-N 1 0 378.235 2.282 20 0 GEADRO COCCC1(NS(=O)(=O)c2sc(Br)cc2C)CC[NH2+]CC1 ZINC000866826348 653833791 /nfs/dbraw/zinc/83/37/91/653833791.db2.gz WSQUHMVVQJAUJH-UHFFFAOYSA-N 1 0 397.360 2.256 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866825117 653833794 /nfs/dbraw/zinc/83/37/94/653833794.db2.gz PNSGMLQRAZOWAP-LSDHHAIUSA-N 1 0 388.917 2.270 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827194 653833985 /nfs/dbraw/zinc/83/39/85/653833985.db2.gz JCDXEZSKAOUFLP-ZIAGYGMSSA-N 1 0 381.885 2.412 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1ccc(F)cc1I ZINC000883296667 653834438 /nfs/dbraw/zinc/83/44/38/653834438.db2.gz TUGRMOBVVRTNOP-LBPRGKRZSA-N 1 0 397.253 2.487 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CC[C@H]1CCCS1(=O)=O)CC(F)(F)F ZINC000883296367 653834577 /nfs/dbraw/zinc/83/45/77/653834577.db2.gz LCWNLBOSRBFYFA-VXGBXAGGSA-N 1 0 388.452 2.389 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC000883334358 653835809 /nfs/dbraw/zinc/83/58/09/653835809.db2.gz VJYCKTASPJZNDL-JTQLQIEISA-N 1 0 394.248 2.050 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000883359389 653837044 /nfs/dbraw/zinc/83/70/44/653837044.db2.gz FOHBHPZGKJRILL-RDDDGLTNSA-N 1 0 379.322 2.438 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000822737334 653838495 /nfs/dbraw/zinc/83/84/95/653838495.db2.gz GBJMEISQXZAOOR-ZDUSSCGKSA-N 1 0 383.290 2.215 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN(CC[NH3+])CC(F)(F)F ZINC000883445570 653840249 /nfs/dbraw/zinc/84/02/49/653840249.db2.gz FPHDFDSLFMCRLP-UHFFFAOYSA-N 1 0 382.224 2.231 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2ncc(C(F)(F)F)s2)CC1 ZINC000895552007 653840564 /nfs/dbraw/zinc/84/05/64/653840564.db2.gz SVYJWVCNSKZOPQ-UHFFFAOYSA-N 1 0 376.448 2.468 20 0 GEADRO COc1ccc(F)cc1CS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000883469180 653840750 /nfs/dbraw/zinc/84/07/50/653840750.db2.gz LJEMNSCSGNGMMD-AAEUAGOBSA-N 1 0 384.395 2.123 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)/C=C3\SCC(=O)N3C)C2)s1 ZINC000822793999 653840869 /nfs/dbraw/zinc/84/08/69/653840869.db2.gz HHVXTLGQWZTKRM-NAQJVLLRSA-N 1 0 379.551 2.383 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000895559474 653840919 /nfs/dbraw/zinc/84/09/19/653840919.db2.gz LEKMDXYUBDSDSB-MRXNPFEDSA-N 1 0 393.281 2.274 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(CCC[NH3+])CC(F)(F)F ZINC000883470690 653840951 /nfs/dbraw/zinc/84/09/51/653840951.db2.gz DAHJAEVMRWLIOQ-UHFFFAOYSA-N 1 0 388.795 2.028 20 0 GEADRO NS(=O)(=O)c1ccc2ccccc2c1N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000895568794 653841275 /nfs/dbraw/zinc/84/12/75/653841275.db2.gz KFTNWKYSGMTEEF-HZPDHXFCSA-N 1 0 377.535 2.479 20 0 GEADRO Cc1c(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC000883472027 653841319 /nfs/dbraw/zinc/84/13/19/653841319.db2.gz KELPQOSWYAUBQJ-UHFFFAOYSA-N 1 0 396.822 2.346 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000883473754 653841577 /nfs/dbraw/zinc/84/15/77/653841577.db2.gz LXDITCADWLJGNH-SNVBAGLBSA-N 1 0 380.919 2.259 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000883481640 653842618 /nfs/dbraw/zinc/84/26/18/653842618.db2.gz VHTROEHBMWSNFX-UHFFFAOYSA-N 1 0 385.898 2.205 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000883483800 653843040 /nfs/dbraw/zinc/84/30/40/653843040.db2.gz UUHFBXMECHZKPU-UHFFFAOYSA-N 1 0 377.304 2.350 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)CC1 ZINC000883483951 653843054 /nfs/dbraw/zinc/84/30/54/653843054.db2.gz ZZUOOBFQBZTOMN-UHFFFAOYSA-N 1 0 395.294 2.489 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cccc(I)c2)CC1 ZINC000883483403 653843094 /nfs/dbraw/zinc/84/30/94/653843094.db2.gz FBGGJZKWGGRONO-UHFFFAOYSA-N 1 0 394.278 2.183 20 0 GEADRO CO[C@H](c1noc(C2(S(C)(=O)=O)CC[NH2+]CC2)n1)c1ccccc1Cl ZINC000822886233 653844856 /nfs/dbraw/zinc/84/48/56/653844856.db2.gz CLUYXDWPQHKMAV-ZDUSSCGKSA-N 1 0 385.873 2.082 20 0 GEADRO O[C@H]1CCN(CC[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC000895673440 653845193 /nfs/dbraw/zinc/84/51/93/653845193.db2.gz MRZBSUULDVGCCY-LBPRGKRZSA-N 1 0 378.108 2.368 20 0 GEADRO CN(CC[NH2+]C1CC(c2ccc(Br)cc2F)C1)CCOCCO ZINC000895663392 653845278 /nfs/dbraw/zinc/84/52/78/653845278.db2.gz XMSYFEIONWJSMO-UHFFFAOYSA-N 1 0 389.309 2.365 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H](c1nccs1)C(F)(F)F)C2 ZINC000883566891 653845782 /nfs/dbraw/zinc/84/57/82/653845782.db2.gz IUXOZNYUSQQILY-JTQLQIEISA-N 1 0 377.417 2.430 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F)C2 ZINC000883576043 653846267 /nfs/dbraw/zinc/84/62/67/653846267.db2.gz XGKNKJOTIBYNMU-JOYOIKCWSA-N 1 0 378.420 2.170 20 0 GEADRO C[C@@]1(CNC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CCC[NH2+]C1 ZINC000883592705 653846456 /nfs/dbraw/zinc/84/64/56/653846456.db2.gz PVPJSBXRHKSBTI-MRXNPFEDSA-N 1 0 397.273 2.291 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883592429 653846485 /nfs/dbraw/zinc/84/64/85/653846485.db2.gz HWUDKPZOPBHJIO-JTQLQIEISA-N 1 0 397.273 2.373 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000895697335 653846526 /nfs/dbraw/zinc/84/65/26/653846526.db2.gz OIQPRYYKDQKJNT-BZNIZROVSA-N 1 0 393.281 2.131 20 0 GEADRO COC[C@@]1(c2nc(Cc3cc4c(cc3Br)OCO4)no2)CC[NH2+]C1 ZINC000822947705 653846781 /nfs/dbraw/zinc/84/67/81/653846781.db2.gz YNIJPNREPCOFEK-MRXNPFEDSA-N 1 0 396.241 2.029 20 0 GEADRO CO[C@H](C[NH3+])Cc1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000822946390 653846818 /nfs/dbraw/zinc/84/68/18/653846818.db2.gz DEZCGHGUHMZNMQ-NSHDSACASA-N 1 0 398.257 2.100 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000883620074 653848076 /nfs/dbraw/zinc/84/80/76/653848076.db2.gz YCEHNGYOZJYFEJ-UHFFFAOYSA-N 1 0 384.933 2.075 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1cscc1Br ZINC000883638737 653848745 /nfs/dbraw/zinc/84/87/45/653848745.db2.gz VLAAMVXHEIFNJN-ZDUSSCGKSA-N 1 0 390.347 2.301 20 0 GEADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000895769124 653849636 /nfs/dbraw/zinc/84/96/36/653849636.db2.gz NBUHJEXURQACNU-INIZCTEOSA-N 1 0 390.281 2.382 20 0 GEADRO CN1CC[C@H]([NH2+]CCN2CCNC2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000895814589 653851404 /nfs/dbraw/zinc/85/14/04/653851404.db2.gz QAAYSQBXGKGWPQ-JKSUJKDBSA-N 1 0 381.318 2.199 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c[nH]nc1I ZINC000895813133 653851444 /nfs/dbraw/zinc/85/14/44/653851444.db2.gz DFNQCXMHNQPQCF-JTQLQIEISA-N 1 0 378.258 2.255 20 0 GEADRO O=C(Cc1noc([C@@H]2C[C@@]23CC[NH2+]C3)n1)Nc1ccccc1Br ZINC000823075546 653852467 /nfs/dbraw/zinc/85/24/67/653852467.db2.gz SHPPQQMOYJADDH-MGPLVRAMSA-N 1 0 377.242 2.480 20 0 GEADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1Br ZINC000895846756 653852520 /nfs/dbraw/zinc/85/25/20/653852520.db2.gz XKKBVFKKBHRYFM-JSGCOSHPSA-N 1 0 389.315 2.097 20 0 GEADRO CO[C@@H](C[NH3+])Cc1nc(C2(c3cccc(Br)c3)CCOCC2)no1 ZINC000823075905 653852747 /nfs/dbraw/zinc/85/27/47/653852747.db2.gz ZZXXCRDDLHNRPA-CQSZACIVSA-N 1 0 396.285 2.445 20 0 GEADRO Nc1nc(N2CCC[C@H](OC(=O)c3nscc3Br)C2)cc[nH+]1 ZINC000845545625 653853782 /nfs/dbraw/zinc/85/37/82/653853782.db2.gz YNYUCXBLCJWSMD-QMMMGPOBSA-N 1 0 384.259 2.104 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)([NH+](C)C)C1 ZINC000823147535 653855444 /nfs/dbraw/zinc/85/54/44/653855444.db2.gz TUOGBNBUWBDIHW-PXAZEXFGSA-N 1 0 387.933 2.379 20 0 GEADRO COCC1(c2nc(-c3cc(Br)c(C)nc3OC)no2)CC[NH2+]CC1 ZINC000823152612 653855861 /nfs/dbraw/zinc/85/58/61/653855861.db2.gz INILXYIFTRTEBL-UHFFFAOYSA-N 1 0 397.273 2.479 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000792980247 653858752 /nfs/dbraw/zinc/85/87/52/653858752.db2.gz MUMJJIDPZXSRRO-TXEJJXNPSA-N 1 0 383.290 2.162 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792986835 653859343 /nfs/dbraw/zinc/85/93/43/653859343.db2.gz ORIYHCBWLOHRAO-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@]1(CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1(Cl)Cl ZINC000866982718 653859515 /nfs/dbraw/zinc/85/95/15/653859515.db2.gz TVJJWJTYXICXCB-RRFJBIMHSA-N 1 0 399.384 2.258 20 0 GEADRO CCOc1cc(CN[C@H]2CS(=O)(=O)C2(C)C)cc(Br)c1O ZINC000895983855 653859620 /nfs/dbraw/zinc/85/96/20/653859620.db2.gz STHCHBAMDXCZMQ-LBPRGKRZSA-N 1 0 378.288 2.219 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000895983426 653859796 /nfs/dbraw/zinc/85/97/96/653859796.db2.gz NJFAGNNNPZRUNB-UONOGXRCSA-N 1 0 383.290 2.231 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)n2)C1 ZINC000792997717 653860231 /nfs/dbraw/zinc/86/02/31/653860231.db2.gz PAGVIUFPUPSMLZ-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884012584 653860455 /nfs/dbraw/zinc/86/04/55/653860455.db2.gz OMVRAMUCWOXBHF-UHFFFAOYSA-N 1 0 398.692 2.413 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000884035093 653860973 /nfs/dbraw/zinc/86/09/73/653860973.db2.gz RSCFHYOIPCTIFU-JVLSTEMRSA-N 1 0 381.270 2.116 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[NH2+]1 ZINC000884031068 653860989 /nfs/dbraw/zinc/86/09/89/653860989.db2.gz FRBVHWQKOFKTEX-SECBINFHSA-N 1 0 384.665 2.117 20 0 GEADRO CS(=O)(=O)c1ccc(-c2noc([C@]3(c4ccccc4)CC[NH2+]C3)n2)s1 ZINC000823295575 653861206 /nfs/dbraw/zinc/86/12/06/653861206.db2.gz JHKIOSIECHXDMB-QGZVFWFLSA-N 1 0 375.475 2.481 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000845734696 653861193 /nfs/dbraw/zinc/86/11/93/653861193.db2.gz IIZSIUVDAQZRFE-KBPBESRZSA-N 1 0 386.539 2.317 20 0 GEADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884049656 653861257 /nfs/dbraw/zinc/86/12/57/653861257.db2.gz ZKRYTDXXGUTXQB-NSHDSACASA-N 1 0 382.404 2.195 20 0 GEADRO COc1ccc(Br)cc1C1(c2noc(C[C@H](C[NH3+])OC)n2)CC1 ZINC000823296215 653861331 /nfs/dbraw/zinc/86/13/31/653861331.db2.gz RNVKJMNBPJQHFD-LLVKDONJSA-N 1 0 382.258 2.437 20 0 GEADRO FC(F)(F)c1nc(CN[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cs1 ZINC000896031232 653861492 /nfs/dbraw/zinc/86/14/92/653861492.db2.gz SCYWTKMHMKLHHZ-ZDUSSCGKSA-N 1 0 378.464 2.048 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C)s1 ZINC000884063639 653861968 /nfs/dbraw/zinc/86/19/68/653861968.db2.gz GTBUDGGYZMGRBU-OAHLLOKOSA-N 1 0 389.587 2.404 20 0 GEADRO Cn1ccn2c(CC[NH2+]Cc3cc(Cl)cc(Br)c3)nnc2c1=O ZINC000896046202 653862067 /nfs/dbraw/zinc/86/20/67/653862067.db2.gz AXUDELZOQMFCFR-UHFFFAOYSA-N 1 0 396.676 2.176 20 0 GEADRO CC(C)C(=O)N1CCC(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884073091 653862441 /nfs/dbraw/zinc/86/24/41/653862441.db2.gz YPILBYUNHJLGQW-OAHLLOKOSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)C(=O)N1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884096892 653863542 /nfs/dbraw/zinc/86/35/42/653863542.db2.gz MIVHEUMGSMGWLQ-HNNXBMFYSA-N 1 0 382.302 2.166 20 0 GEADRO CCOc1c(Br)cc(-c2nc(N3CC[NH2+]CC3)no2)cc1OC ZINC000823331163 653863668 /nfs/dbraw/zinc/86/36/68/653863668.db2.gz ZVALXXBAMMOTGM-UHFFFAOYSA-N 1 0 383.246 2.316 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000884113178 653864257 /nfs/dbraw/zinc/86/42/57/653864257.db2.gz IIBDGQBIADGZLG-ZDUSSCGKSA-N 1 0 378.274 2.273 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000884113177 653864307 /nfs/dbraw/zinc/86/43/07/653864307.db2.gz IIBDGQBIADGZLG-CYBMUJFWSA-N 1 0 378.274 2.273 20 0 GEADRO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000896104376 653864827 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CN(CCCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)CC(F)(F)F ZINC000884192903 653867380 /nfs/dbraw/zinc/86/73/80/653867380.db2.gz QOFZSKZXHGXZMZ-LBPRGKRZSA-N 1 0 382.224 2.449 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)ccn1 ZINC000867029396 653868836 /nfs/dbraw/zinc/86/88/36/653868836.db2.gz NKVWRZJTAWRCSZ-AWEZNQCLSA-N 1 0 396.340 2.025 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C[C@H]21 ZINC000884247807 653869308 /nfs/dbraw/zinc/86/93/08/653869308.db2.gz FPLDGRRXXFUFQE-MPESAESLSA-N 1 0 393.281 2.116 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C[C@@H]21 ZINC000884247806 653869388 /nfs/dbraw/zinc/86/93/88/653869388.db2.gz FPLDGRRXXFUFQE-CAPXZKIUSA-N 1 0 393.281 2.116 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000823464124 653869574 /nfs/dbraw/zinc/86/95/74/653869574.db2.gz URQQLLIWARSOOQ-MRXNPFEDSA-N 1 0 399.329 2.299 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)c1csc(I)c1Br ZINC000884269830 653869978 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2.035 20 0 GEADRO O=C(NCCc1ccc(Br)cc1F)C1C[NH+](C2CCOCC2)C1 ZINC000896264559 653871729 /nfs/dbraw/zinc/87/17/29/653871729.db2.gz DZNOROAIOUVSIM-UHFFFAOYSA-N 1 0 385.277 2.358 20 0 GEADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@@H]2C[C@]2(C)Br)cc1 ZINC000896276131 653872041 /nfs/dbraw/zinc/87/20/41/653872041.db2.gz LNWKIKGLWYPOIC-GJZGRUSLSA-N 1 0 375.332 2.341 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000823572144 653872273 /nfs/dbraw/zinc/87/22/73/653872273.db2.gz PODAYXZSYWJNPQ-CYBMUJFWSA-N 1 0 383.290 2.215 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+](C)CC(C)C)cc(F)c1F ZINC000845957025 653872515 /nfs/dbraw/zinc/87/25/15/653872515.db2.gz QHCDLNMZLZUNJX-UHFFFAOYSA-N 1 0 378.441 2.008 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000884349197 653873806 /nfs/dbraw/zinc/87/38/06/653873806.db2.gz PTTXZOCOJAGCTB-LSDHHAIUSA-N 1 0 387.933 2.225 20 0 GEADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000884355074 653874160 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GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](O)CC(C)C ZINC000823737119 653878184 /nfs/dbraw/zinc/87/81/84/653878184.db2.gz SHASMNFXVDZTGF-SWLSCSKDSA-N 1 0 387.318 2.459 20 0 GEADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884522514 653879692 /nfs/dbraw/zinc/87/96/92/653879692.db2.gz AEVQAWNYRCTIBR-ILXRZTDVSA-N 1 0 379.913 2.346 20 0 GEADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)cc1Cl ZINC000793529465 653879705 /nfs/dbraw/zinc/87/97/05/653879705.db2.gz BMEYRVRIYXZHII-CQSZACIVSA-N 1 0 390.933 2.440 20 0 GEADRO O=C(NCCC[NH2+]C1CCCCC1)c1c[nH]nc1I ZINC000896444781 653880013 /nfs/dbraw/zinc/88/00/13/653880013.db2.gz LBHSRYDOHSROJK-UHFFFAOYSA-N 1 0 376.242 2.057 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000846016603 653880853 /nfs/dbraw/zinc/88/08/53/653880853.db2.gz YYFJEDGENMZTBU-UHFFFAOYSA-N 1 0 385.306 2.185 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000823881642 653882215 /nfs/dbraw/zinc/88/22/15/653882215.db2.gz AMXHOVWAEQBQBV-UHFFFAOYSA-N 1 0 387.299 2.148 20 0 GEADRO CC1(C)CC[C@H](CNC(=O)C(=O)NCc2cc(Br)cs2)[NH2+]C1 ZINC000884653046 653883268 /nfs/dbraw/zinc/88/32/68/653883268.db2.gz OTRPMFMPFZTRLO-LLVKDONJSA-N 1 0 388.331 2.021 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000884666445 653883483 /nfs/dbraw/zinc/88/34/83/653883483.db2.gz DGMRTXIJSQHZBB-MWLCHTKSSA-N 1 0 398.212 2.205 20 0 GEADRO Cc1ccc2[nH]c(C(=O)N3CC(N4CC[C@@H](O)C4)C3)cc2c1Br ZINC000824015009 653883777 /nfs/dbraw/zinc/88/37/77/653883777.db2.gz TYWIIWQQAIAITN-GFCCVEGCSA-N 1 0 378.270 2.130 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793723447 653883824 /nfs/dbraw/zinc/88/38/24/653883824.db2.gz WUBMGQPGDBFOGT-CQSZACIVSA-N 1 0 396.329 2.364 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884667484 653883816 /nfs/dbraw/zinc/88/38/16/653883816.db2.gz LVUQCZCTUSRDGB-SHHSBJBSSA-N 1 0 384.307 2.299 20 0 GEADRO C[C@@H](NC(=O)CCc1cc(Br)ccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896550938 653884399 /nfs/dbraw/zinc/88/43/99/653884399.db2.gz AVCQJDILJFFDOQ-WBMJQRKESA-N 1 0 386.309 2.271 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896550081 653884736 /nfs/dbraw/zinc/88/47/36/653884736.db2.gz QUEDIMONGLEIMQ-CZUORRHYSA-N 1 0 398.345 2.141 20 0 GEADRO Cc1cc(CCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896553447 653885128 /nfs/dbraw/zinc/88/51/28/653885128.db2.gz ASJLSHVIGXGFKR-WMLDXEAASA-N 1 0 382.346 2.441 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000793795470 653885329 /nfs/dbraw/zinc/88/53/29/653885329.db2.gz QFOSYPCZQRRYCK-NSHDSACASA-N 1 0 388.281 2.051 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000793814894 653885626 /nfs/dbraw/zinc/88/56/26/653885626.db2.gz BOESQYXIVJEQAR-OAGGEKHMSA-N 1 0 387.615 2.111 20 0 GEADRO CCOc1cc(C[NH2+]CC(=O)N(C)OCC)cc(Br)c1OC ZINC000846064219 653885805 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C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@@H]1CC[NH3+] ZINC000846693704 653906579 /nfs/dbraw/zinc/90/65/79/653906579.db2.gz JMSHLEZBMJYHHF-IUODEOHRSA-N 1 0 387.933 2.180 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000846698308 653906613 /nfs/dbraw/zinc/90/66/13/653906613.db2.gz FLAOPIKEUXRSJX-SCZZXKLOSA-N 1 0 381.267 2.097 20 0 GEADRO C[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Br)cc1 ZINC000897079857 653906638 /nfs/dbraw/zinc/90/66/38/653906638.db2.gz MLNMAKPUAFYUMH-UHOFOFEASA-N 1 0 382.302 2.013 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)c1ccc2ncc(I)n2c1 ZINC000846701048 653906900 /nfs/dbraw/zinc/90/69/00/653906900.db2.gz OSKUDZDKGSRXMG-UHFFFAOYSA-N 1 0 398.248 2.058 20 0 GEADRO CN1CCCC[C@@H]1C[NH2+][C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000846702759 653906933 /nfs/dbraw/zinc/90/69/33/653906933.db2.gz PUYJJPZRPKFUJM-CABCVRRESA-N 1 0 380.286 2.155 20 0 GEADRO CN1CCN(C)CCN(c2cc(Br)cnc2Br)CC1 ZINC000897095913 653907618 /nfs/dbraw/zinc/90/76/18/653907618.db2.gz WSDOXUBHDSUSMZ-UHFFFAOYSA-N 1 0 392.139 2.290 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cnn(C(C)(C)C)c2Br)n1 ZINC000824776008 653908165 /nfs/dbraw/zinc/90/81/65/653908165.db2.gz DNOVMEBDWRGHGI-UHFFFAOYSA-N 1 0 383.294 2.411 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ncc2scc(Br)c2n1 ZINC000897219781 653910605 /nfs/dbraw/zinc/91/06/05/653910605.db2.gz OFYYHCHDMWJXPU-NWDGAFQWSA-N 1 0 383.315 2.489 20 0 GEADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ncc2scc(Br)c2n1 ZINC000897219782 653911032 /nfs/dbraw/zinc/91/10/32/653911032.db2.gz OFYYHCHDMWJXPU-RYUDHWBXSA-N 1 0 383.315 2.489 20 0 GEADRO CC(C)(C)Oc1nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ncc1Br ZINC000897221677 653911162 /nfs/dbraw/zinc/91/11/62/653911162.db2.gz ODJIHIJBUVCNSW-KGLIPLIRSA-N 1 0 399.333 2.452 20 0 GEADRO C[C@]1(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C[NH+]2CCC1CC2 ZINC000824895077 653911254 /nfs/dbraw/zinc/91/12/54/653911254.db2.gz QBUQXJNETKHPKZ-KSSFIOAISA-N 1 0 392.297 2.475 20 0 GEADRO CCOC(=O)c1nc2ccc(OS(=O)(=O)CC3([NH+](C)C)CC3)cc2s1 ZINC000867308632 653913039 /nfs/dbraw/zinc/91/30/39/653913039.db2.gz MASCPIWCPOKDHK-UHFFFAOYSA-N 1 0 384.479 2.276 20 0 GEADRO COCCN(C[C@H](O)c1ccccc1Br)C[C@H](O)C(F)(F)F ZINC000847029846 653915844 /nfs/dbraw/zinc/91/58/44/653915844.db2.gz SUDXKTIFLGWOAB-STQMWFEESA-N 1 0 386.208 2.354 20 0 GEADRO CN(C)c1cc(NCc2ccc(OCC(N)=O)cc2)[nH+]cc1Br ZINC000825104410 653917989 /nfs/dbraw/zinc/91/79/89/653917989.db2.gz WHVBWZIMTJKTNQ-UHFFFAOYSA-N 1 0 379.258 2.386 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC000825188950 653919951 /nfs/dbraw/zinc/91/99/51/653919951.db2.gz UIKGOMWTSRVENY-WCQYABFASA-N 1 0 387.933 2.274 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885249401 653920318 /nfs/dbraw/zinc/92/03/18/653920318.db2.gz RZLIOYYSXFFPNK-NSHDSACASA-N 1 0 394.249 2.013 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000825215791 653921357 /nfs/dbraw/zinc/92/13/57/653921357.db2.gz WFZRCPAXYVAXHA-GXTWGEPZSA-N 1 0 377.901 2.098 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000794841082 653921921 /nfs/dbraw/zinc/92/19/21/653921921.db2.gz LHGFOIPDSZUBIV-ILXRZTDVSA-N 1 0 388.555 2.499 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)ccc1Cl ZINC000825249323 653922751 /nfs/dbraw/zinc/92/27/51/653922751.db2.gz BUDBRCGJRFWIPP-CQSZACIVSA-N 1 0 387.933 2.287 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000847312556 653924594 /nfs/dbraw/zinc/92/45/94/653924594.db2.gz QGHXVSOUPODTSF-GJZGRUSLSA-N 1 0 382.302 2.420 20 0 GEADRO C[C@@H](CCNC(=O)c1cc(I)nn1C)[NH+]1CCCCC1 ZINC000867378669 653925195 /nfs/dbraw/zinc/92/51/95/653925195.db2.gz VVYGQRQFEBUJFC-NSHDSACASA-N 1 0 390.269 2.019 20 0 GEADRO O=C(c1cnc(F)c(Br)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000847346870 653925441 /nfs/dbraw/zinc/92/54/41/653925441.db2.gz BMXJOUYXWFMDFG-UHFFFAOYSA-N 1 0 386.265 2.168 20 0 GEADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000867399796 653926642 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C[NH+]1CCN(CCCS(=O)(=O)Oc2c(F)cc(Cl)cc2Cl)CC1 ZINC000867430493 653931667 /nfs/dbraw/zinc/93/16/67/653931667.db2.gz SVCQTAZTCZHKQR-UHFFFAOYSA-N 1 0 385.288 2.479 20 0 GEADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000897691649 653933364 /nfs/dbraw/zinc/93/33/64/653933364.db2.gz FNQIHSWBJCZSNQ-OAHLLOKOSA-N 1 0 379.288 2.188 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2cccnc2Br)C1 ZINC000897695648 653933756 /nfs/dbraw/zinc/93/37/56/653933756.db2.gz NSPDKVDMVOONPD-MRXNPFEDSA-N 1 0 386.290 2.306 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC(O)(c3ccc(Cl)cc3)C2)cc1 ZINC000795170960 653936539 /nfs/dbraw/zinc/93/65/39/653936539.db2.gz BWSSESRTTPLRNM-UHFFFAOYSA-N 1 0 380.897 2.294 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cn(C)nc1Br ZINC000897779602 653937493 /nfs/dbraw/zinc/93/74/93/653937493.db2.gz RGEWSWMWYOBVSV-UHFFFAOYSA-N 1 0 380.290 2.172 20 0 GEADRO Cn1nc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cc1Br ZINC000825693632 653937969 /nfs/dbraw/zinc/93/79/69/653937969.db2.gz GCVTXDBYNKRIHV-UHFFFAOYSA-N 1 0 395.301 2.443 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1nc(Br)sc1Cl ZINC000867479075 653938290 /nfs/dbraw/zinc/93/82/90/653938290.db2.gz NZSGRWHVKPQNPP-VIFPVBQESA-N 1 0 395.754 2.315 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)COCCc3ccc(Br)cc3)C[C@@H]2C1 ZINC000897801538 653938407 /nfs/dbraw/zinc/93/84/07/653938407.db2.gz MXWCOURDPUFUQN-CVEARBPZSA-N 1 0 381.314 2.418 20 0 GEADRO O=S(=O)(CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1)N1CCCC1 ZINC000897830855 653939459 /nfs/dbraw/zinc/93/94/59/653939459.db2.gz RQHUHPJXQJUTCQ-UHFFFAOYSA-N 1 0 385.961 2.320 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000825765256 653939947 /nfs/dbraw/zinc/93/99/47/653939947.db2.gz VUPFRCZOQAZHDS-UHFFFAOYSA-N 1 0 399.333 2.211 20 0 GEADRO COC1CC[NH+](C2(CNC(=O)c3cc(Br)n(C)n3)CCCC2)CC1 ZINC000825764244 653940117 /nfs/dbraw/zinc/94/01/17/653940117.db2.gz IBLXGEXKKGYUOH-UHFFFAOYSA-N 1 0 399.333 2.336 20 0 GEADRO COc1cc(Br)c(CN2CCN(C)CC[N@H+](C)CC2)c(OC)c1 ZINC000897856843 653940456 /nfs/dbraw/zinc/94/04/56/653940456.db2.gz RULDLNIQVCLPOW-UHFFFAOYSA-N 1 0 386.334 2.146 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000867504381 653941825 /nfs/dbraw/zinc/94/18/25/653941825.db2.gz QMJUUZUUACYZCJ-LLVKDONJSA-N 1 0 379.320 2.217 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC(Cc2ccc(Br)cc2)C1 ZINC000885686939 653944678 /nfs/dbraw/zinc/94/46/78/653944678.db2.gz OXJFRAAJGCNOET-QGZVFWFLSA-N 1 0 379.298 2.171 20 0 GEADRO Cc1c(Br)cncc1C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000826037276 653945816 /nfs/dbraw/zinc/94/58/16/653945816.db2.gz ZDTZZBVUVQCYNW-ZDUSSCGKSA-N 1 0 388.306 2.470 20 0 GEADRO C[C@@H]1CN(C(=O)c2cnc(Cl)c(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000847848599 653947697 /nfs/dbraw/zinc/94/76/97/653947697.db2.gz RRHQIKDJEKVOIH-SNVBAGLBSA-N 1 0 390.709 2.415 20 0 GEADRO CS[C@@H]1CN(c2ccc(Br)cc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826227220 653948565 /nfs/dbraw/zinc/94/85/65/653948565.db2.gz NVNBQLSECSATJT-QWHCGFSZSA-N 1 0 383.319 2.111 20 0 GEADRO COc1cc(NC(=O)c2cn(C)nc2Br)ccc1OCC[NH+](C)C ZINC000897991859 653948742 /nfs/dbraw/zinc/94/87/42/653948742.db2.gz MKYRBVQVYSFCEV-UHFFFAOYSA-N 1 0 397.273 2.384 20 0 GEADRO C[NH+](C)CCN(C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)C1CC1 ZINC000898017494 653949763 /nfs/dbraw/zinc/94/97/63/653949763.db2.gz OEZUGMPDZJZHNP-ZDUSSCGKSA-N 1 0 380.286 2.428 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000898036330 653950581 /nfs/dbraw/zinc/95/05/81/653950581.db2.gz CGEDGHKKLJNDND-AAEUAGOBSA-N 1 0 380.286 2.475 20 0 GEADRO CO[C@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)c1ccc(Br)s1 ZINC000898068805 653951756 /nfs/dbraw/zinc/95/17/56/653951756.db2.gz RLUJGZMTAZUDBB-GXTWGEPZSA-N 1 0 379.320 2.017 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(Br)nc3n2CCC3)C1 ZINC000826595817 653954235 /nfs/dbraw/zinc/95/42/35/653954235.db2.gz JSLMVMWBJBNTIQ-ZDUSSCGKSA-N 1 0 399.333 2.165 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898117730 653954501 /nfs/dbraw/zinc/95/45/01/653954501.db2.gz MUEBWMJWGWSMOW-UHFFFAOYSA-N 1 0 399.304 2.484 20 0 GEADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3nc4cc(Br)ccc4o3)C2)nc[nH]1 ZINC000898152040 653955953 /nfs/dbraw/zinc/95/59/53/653955953.db2.gz YYTWKEDCUUEZJK-LLVKDONJSA-N 1 0 390.241 2.454 20 0 GEADRO Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000826711942 653958355 /nfs/dbraw/zinc/95/83/55/653958355.db2.gz CKESNKZSIRFNQF-AWEZNQCLSA-N 1 0 384.615 2.494 20 0 GEADRO Cc1nc(Cl)c(Cl)cc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000848070756 653958436 /nfs/dbraw/zinc/95/84/36/653958436.db2.gz GTXPLOZRLPKGPF-CQSZACIVSA-N 1 0 385.295 2.122 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000898289802 653961301 /nfs/dbraw/zinc/96/13/01/653961301.db2.gz GQALCYVSQIKJQF-UHFFFAOYSA-N 1 0 399.314 2.377 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(=O)c1ccc(Br)s1 ZINC000885888791 653962152 /nfs/dbraw/zinc/96/21/52/653962152.db2.gz QECMGBLYTKHTDR-NSHDSACASA-N 1 0 387.299 2.063 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)ncc1Br ZINC000885886384 653962190 /nfs/dbraw/zinc/96/21/90/653962190.db2.gz WUNQJLCMILVCGC-NSHDSACASA-N 1 0 388.693 2.481 20 0 GEADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)CC1 ZINC000867618992 653963203 /nfs/dbraw/zinc/96/32/03/653963203.db2.gz CJDHGRSNFDWRLS-UHFFFAOYSA-N 1 0 381.523 2.498 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000795706790 653963421 /nfs/dbraw/zinc/96/34/21/653963421.db2.gz LZHCGFOMFBNDTM-JSGCOSHPSA-N 1 0 392.297 2.495 20 0 GEADRO O=c1ccn(CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)c(=O)[nH]1 ZINC000898333095 653963843 /nfs/dbraw/zinc/96/38/43/653963843.db2.gz OMTIWYHOGFQTFZ-UHFFFAOYSA-N 1 0 392.253 2.167 20 0 GEADRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2cc(Br)c(OC)s2)C1 ZINC000898356407 653964636 /nfs/dbraw/zinc/96/46/36/653964636.db2.gz PFJJPSPZCXCLQS-JOYOIKCWSA-N 1 0 393.303 2.058 20 0 GEADRO Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000848208532 653964750 /nfs/dbraw/zinc/96/47/50/653964750.db2.gz DXHOUYLNRXMDQH-GFCCVEGCSA-N 1 0 385.295 2.123 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ncc(Br)cn2)CCN1c1cc[nH+]cc1 ZINC000898381413 653965916 /nfs/dbraw/zinc/96/59/16/653965916.db2.gz FZVKUESYUOAVAQ-GFCCVEGCSA-N 1 0 391.273 2.054 20 0 GEADRO CC[C@@H](C(=O)NN1C(=O)c2ccc(Br)cc2C1=O)[NH+](CC)CC ZINC000848270467 653967428 /nfs/dbraw/zinc/96/74/28/653967428.db2.gz JZDMMTORRHFCOM-ZDUSSCGKSA-N 1 0 382.258 2.197 20 0 GEADRO CC[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795812759 653967994 /nfs/dbraw/zinc/96/79/94/653967994.db2.gz FYBDGWFZCDKWSW-CQSZACIVSA-N 1 0 376.906 2.442 20 0 GEADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000867652872 653968999 /nfs/dbraw/zinc/96/89/99/653968999.db2.gz MNFJBIHGMGCCNY-UHFFFAOYSA-N 1 0 382.452 2.234 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848350883 653971729 /nfs/dbraw/zinc/97/17/29/653971729.db2.gz UUGCKLKILRYHFA-STQMWFEESA-N 1 0 377.539 2.428 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1Cl ZINC000795860403 653972361 /nfs/dbraw/zinc/97/23/61/653972361.db2.gz FNLGNZCGRNYGGW-VHSXEESVSA-N 1 0 378.853 2.027 20 0 GEADRO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCCC2SCCS2)CC1 ZINC000867683356 653972619 /nfs/dbraw/zinc/97/26/19/653972619.db2.gz XNFBELACSZYMRD-UHFFFAOYSA-N 1 0 385.599 2.166 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1sccc1Cl)CCS2(=O)=O ZINC000898487454 653973040 /nfs/dbraw/zinc/97/30/40/653973040.db2.gz LJLSOEVCIUKKLI-LOIXOFCESA-N 1 0 377.915 2.390 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1cc(Cl)cs1)CCS2(=O)=O ZINC000898488233 653973386 /nfs/dbraw/zinc/97/33/86/653973386.db2.gz RLOSUNZFUGDZQQ-JYHUIVOISA-N 1 0 377.915 2.390 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898598972 653977645 /nfs/dbraw/zinc/97/76/45/653977645.db2.gz YACOLVWLIVZIGC-UHFFFAOYSA-N 1 0 386.233 2.220 20 0 GEADRO COC[C@@H]([NH2+]Cc1ncc(I)s1)[C@H]1CCCOC1 ZINC000886357845 653979705 /nfs/dbraw/zinc/97/97/05/653979705.db2.gz MLGYENOAPSEGLS-VHSXEESVSA-N 1 0 382.267 2.279 20 0 GEADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1cn(Cc3ccccc3)nn1)CC2 ZINC000898717262 653981608 /nfs/dbraw/zinc/98/16/08/653981608.db2.gz KRRYAEBZXSNGGA-AWEZNQCLSA-N 1 0 387.285 2.390 20 0 GEADRO CN(C)C(=O)c1cccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000898717255 653981702 /nfs/dbraw/zinc/98/17/02/653981702.db2.gz KMYVIGIEEDNEIJ-AWEZNQCLSA-N 1 0 377.286 2.452 20 0 GEADRO Brc1cnc2n1C[C@H]([NH2+]C1CCN(C[C@H]3CCCO3)CC1)CC2 ZINC000898720307 653982007 /nfs/dbraw/zinc/98/20/07/653982007.db2.gz LWMHRWDZHGEKBU-HUUCEWRRSA-N 1 0 383.334 2.193 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)CC[C@@H]21 ZINC000827234510 653982532 /nfs/dbraw/zinc/98/25/32/653982532.db2.gz YASQXRAWBPVGMS-VZEFYGNVSA-N 1 0 394.313 2.474 20 0 GEADRO Cc1ccc([C@H](CNC(=O)C(=O)NCCC2SCCS2)[NH+](C)C)cc1 ZINC000827321625 653985624 /nfs/dbraw/zinc/98/56/24/653985624.db2.gz QJIUBLKYDPORGE-HNNXBMFYSA-N 1 0 381.567 2.026 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C(F)(F)F)n1 ZINC000827337346 653986770 /nfs/dbraw/zinc/98/67/70/653986770.db2.gz LKUGYQVBXQFWRU-SLEUVZQESA-N 1 0 377.432 2.144 20 0 GEADRO Cc1c(Br)cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c(=O)n1C ZINC000898830116 653987763 /nfs/dbraw/zinc/98/77/63/653987763.db2.gz CCZJCQWBGMZKKV-UONOGXRCSA-N 1 0 382.302 2.059 20 0 GEADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C12CCC2 ZINC000898841774 653987928 /nfs/dbraw/zinc/98/79/28/653987928.db2.gz PURZIHZZVPNMGO-HUUCEWRRSA-N 1 0 385.917 2.314 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CN(C4CC4)C(=O)O3)cnc12 ZINC000848577438 653988033 /nfs/dbraw/zinc/98/80/33/653988033.db2.gz MKWMRXSUXDNNBQ-CQSZACIVSA-N 1 0 379.258 2.478 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cccc(Br)c3F)CC[C@H]21 ZINC000867805893 653989378 /nfs/dbraw/zinc/98/93/78/653989378.db2.gz CMCBBKLFZQAFJO-CMPLNLGQSA-N 1 0 377.279 2.303 20 0 GEADRO CN1CC[NH+](C2CCN(C(=O)c3cc(O)cc(Br)c3)CC2)CC1 ZINC000827430231 653991239 /nfs/dbraw/zinc/99/12/39/653991239.db2.gz OKPPJDHXBKCPAK-UHFFFAOYSA-N 1 0 382.302 2.007 20 0 GEADRO CN1CC[NH+](C2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)CC1 ZINC000827445743 653991898 /nfs/dbraw/zinc/99/18/98/653991898.db2.gz XUUMLKOLWAJJTK-UHFFFAOYSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886581561 653992589 /nfs/dbraw/zinc/99/25/89/653992589.db2.gz CPSFFZWCGQXMPU-SDNTUTLCSA-N 1 0 381.314 2.499 20 0 GEADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)CC1 ZINC000867817089 653992696 /nfs/dbraw/zinc/99/26/96/653992696.db2.gz SJCBXYZRFWGAHW-UHFFFAOYSA-N 1 0 393.887 2.019 20 0 GEADRO CCS(=O)(=O)c1ccc(CN[C@H]2CCCn3nc(C(=O)OC)cc32)s1 ZINC000886603138 653992954 /nfs/dbraw/zinc/99/29/54/653992954.db2.gz HXXUKTBNCJTOLG-LBPRGKRZSA-N 1 0 383.495 2.150 20 0 GEADRO CC(C)C[C@H]1CN(C)CCN1C(=O)c1cc2ncc(Br)cn2n1 ZINC000886602521 653993107 /nfs/dbraw/zinc/99/31/07/653993107.db2.gz SWSIXRPGOUEZFO-ZDUSSCGKSA-N 1 0 380.290 2.294 20 0 GEADRO C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(Cl)c(N)c(Cl)c1 ZINC000886698267 653994918 /nfs/dbraw/zinc/99/49/18/653994918.db2.gz BIBONTREJXALBP-VIFPVBQESA-N 1 0 381.267 2.210 20 0 GEADRO C[C@@H](CNC(=O)c1c(Cl)nc2cc(Cl)ccn21)C[NH+]1CCN(C)CC1 ZINC000827538893 653996571 /nfs/dbraw/zinc/99/65/71/653996571.db2.gz VJGPSCYJBNPPHS-LBPRGKRZSA-N 1 0 384.311 2.254 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2nc(Br)sc2Cl)C1 ZINC000867848447 653998092 /nfs/dbraw/zinc/99/80/92/653998092.db2.gz QIXNQZFHBRNLHY-LBPRGKRZSA-N 1 0 382.711 2.088 20 0 GEADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)C1C[NH+](C2CCOCC2)C1 ZINC000899163627 654002031 /nfs/dbraw/zinc/00/20/31/654002031.db2.gz RNDKFLMLTYQSCJ-SQNIBIBYSA-N 1 0 391.309 2.314 20 0 GEADRO O=c1cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)nc2ccc(Br)cn12 ZINC000886828156 654002949 /nfs/dbraw/zinc/00/29/49/654002949.db2.gz YNWINEGSYKGCEA-SWLSCSKDSA-N 1 0 378.270 2.458 20 0 GEADRO [NH2+]=C(NCC(=O)Nc1ccc(I)cc1)N1CCCCC1 ZINC000849002486 654003262 /nfs/dbraw/zinc/00/32/62/654003262.db2.gz MUTOYHPVNIPIDS-UHFFFAOYSA-N 1 0 386.237 2.240 20 0 GEADRO [NH2+]=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)N1CCSCC1 ZINC000849115844 654005269 /nfs/dbraw/zinc/00/52/69/654005269.db2.gz CGQRGFBOZRKRGP-GFCCVEGCSA-N 1 0 390.322 2.312 20 0 GEADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000899229273 654005756 /nfs/dbraw/zinc/00/57/56/654005756.db2.gz QRSZMHHABZMDSX-IAQYHMDHSA-N 1 0 380.286 2.160 20 0 GEADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000886892328 654007266 /nfs/dbraw/zinc/00/72/66/654007266.db2.gz YCQBOIDWUCTPIQ-NSHDSACASA-N 1 0 397.324 2.391 20 0 GEADRO O=S(=O)(Cc1ccc(Br)cc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886896213 654007520 /nfs/dbraw/zinc/00/75/20/654007520.db2.gz BKVPAJBSJLWVND-LLVKDONJSA-N 1 0 383.258 2.113 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1Br ZINC000886896203 654007556 /nfs/dbraw/zinc/00/75/56/654007556.db2.gz BEGDPFXCAKEFAK-MRVPVSSYSA-N 1 0 387.221 2.111 20 0 GEADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)c(Cl)c1 ZINC000886896463 654007821 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O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCOc2cc(Br)ccc2C1 ZINC000851667029 654168462 /nfs/dbraw/zinc/16/84/62/654168462.db2.gz KIRRAEWCAQEIFE-CYBMUJFWSA-N 1 0 390.228 2.350 20 0 GEADRO C[C@]12CCN(C(=O)N[C@@H](C[NH3+])C3CC3)C[C@H]1C2(Br)Br ZINC000851665708 654168573 /nfs/dbraw/zinc/16/85/73/654168573.db2.gz XESFJVUNUBCTCL-UMNHJUIQSA-N 1 0 395.139 2.261 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCOc2cc(Br)ccc2C1 ZINC000851667031 654168625 /nfs/dbraw/zinc/16/86/25/654168625.db2.gz KIRRAEWCAQEIFE-ZDUSSCGKSA-N 1 0 390.228 2.350 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889761021 654169258 /nfs/dbraw/zinc/16/92/58/654169258.db2.gz CKPSALOKLACPIT-HZPDHXFCSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761453 654169347 /nfs/dbraw/zinc/16/93/47/654169347.db2.gz GFNFCRHWGHPLHX-CVEARBPZSA-N 1 0 385.277 2.188 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831193967 654169769 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CC[N@H+](CCNC(=O)c1c(C)nn(C)c1Br)CCC(F)(F)F ZINC000801103389 654178061 /nfs/dbraw/zinc/17/80/61/654178061.db2.gz JEQCHHNSCFTCAY-UHFFFAOYSA-N 1 0 385.228 2.495 20 0 GEADRO COc1cc(OC)cc(OCCC[N@H+](C)CCn2cnc(Br)n2)c1 ZINC000851806539 654180135 /nfs/dbraw/zinc/18/01/35/654180135.db2.gz QXTDSWMSZVWHTO-UHFFFAOYSA-N 1 0 399.289 2.459 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c(F)cc1Cl ZINC000851812040 654180778 /nfs/dbraw/zinc/18/07/78/654180778.db2.gz DMYQZWLHAXZQRA-NSHDSACASA-N 1 0 392.880 2.371 20 0 GEADRO CC(C)[C@@H](C[NH+](C)C)OC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000870570530 654181557 /nfs/dbraw/zinc/18/15/57/654181557.db2.gz CPBWJBCAOSIFLW-OAHLLOKOSA-N 1 0 388.555 2.205 20 0 GEADRO CC(C)[C@@H](C[NH+](C)C)OC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000870570711 654181676 /nfs/dbraw/zinc/18/16/76/654181676.db2.gz RETCDYNKVGJIKM-GFCCVEGCSA-N 1 0 375.263 2.244 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC([NH2+]C2CCC2)CC1 ZINC000889829202 654181816 /nfs/dbraw/zinc/18/18/16/654181816.db2.gz 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392.301 2.126 20 0 GEADRO CN(C(=O)C(=O)Nc1cccc(F)c1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000890153253 654200866 /nfs/dbraw/zinc/20/08/66/654200866.db2.gz KEZGMXAWSMRAGR-LLVKDONJSA-N 1 0 384.249 2.222 20 0 GEADRO CCO[C@H](CNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)C[NH+](C)C ZINC000831702642 654200878 /nfs/dbraw/zinc/20/08/78/654200878.db2.gz MSBZOTIQDCKADZ-IPALMDDQSA-N 1 0 381.314 2.418 20 0 GEADRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCN(Cc2cscn2)CC1 ZINC000870872455 654201466 /nfs/dbraw/zinc/20/14/66/654201466.db2.gz WIDJLKXWLINMJW-UHFFFAOYSA-N 1 0 377.539 2.025 20 0 GEADRO [NH3+][C@@H](C(=O)NC1CCN(CC(F)F)CC1)c1cccc(Br)c1 ZINC000870875744 654201600 /nfs/dbraw/zinc/20/16/00/654201600.db2.gz JZIUZNWGASJABU-CQSZACIVSA-N 1 0 376.245 2.295 20 0 GEADRO C[C@@H]1[C@H](NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[N@@H+]1C ZINC000920074254 654201895 /nfs/dbraw/zinc/20/18/95/654201895.db2.gz UPJXWDQEYZCRBS-ZWNOBZJWSA-N 1 0 393.289 2.126 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cncc(Br)c1 ZINC000851894572 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C[C@@H]1CN(C(=O)c2csc(C3CC[NH2+]CC3)n2)CCN1CC(F)(F)F ZINC000870909747 654206505 /nfs/dbraw/zinc/20/65/05/654206505.db2.gz ANRNBYRQALBXDC-LLVKDONJSA-N 1 0 376.448 2.319 20 0 GEADRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cnn(C)c3Br)C2)c1 ZINC000870908686 654206633 /nfs/dbraw/zinc/20/66/33/654206633.db2.gz UOUGRYOHHWEMAM-AWEZNQCLSA-N 1 0 377.286 2.495 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000920272957 654207416 /nfs/dbraw/zinc/20/74/16/654207416.db2.gz ADIVRSRIKRAFTM-AHCXZYCDSA-N 1 0 386.945 2.406 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000870928427 654208397 /nfs/dbraw/zinc/20/83/97/654208397.db2.gz GFHGBLAOICVXBQ-IKGGRYGDSA-N 1 0 393.281 2.050 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)C2=O)ccc1Br ZINC000870927609 654208409 /nfs/dbraw/zinc/20/84/09/654208409.db2.gz XVTOZXVOZBHHII-ZENOOKHLSA-N 1 0 394.313 2.497 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)C2 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C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CC[NH2+]CC1 ZINC000870987234 654215239 /nfs/dbraw/zinc/21/52/39/654215239.db2.gz IEEHFFYZCNWBJU-JSGCOSHPSA-N 1 0 394.313 2.306 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000852055212 654215497 /nfs/dbraw/zinc/21/54/97/654215497.db2.gz RJBMNNCVBPXXBS-GFCCVEGCSA-N 1 0 384.211 2.162 20 0 GEADRO COC[C@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1cccc(Br)c1 ZINC000871009100 654215748 /nfs/dbraw/zinc/21/57/48/654215748.db2.gz BRTNPSJFQMZXLA-LRDDRELGSA-N 1 0 393.285 2.367 20 0 GEADRO Cc1cc(Br)c(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000852063858 654215952 /nfs/dbraw/zinc/21/59/52/654215952.db2.gz SPHCFKUZRMVBJD-RYUDHWBXSA-N 1 0 388.331 2.481 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000852067309 654215986 /nfs/dbraw/zinc/21/59/86/654215986.db2.gz XKZMWAWTCOAIGE-LALPHHSUSA-N 1 0 388.295 2.189 20 0 GEADRO CN1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)Cc2cccnc21 ZINC000871019962 654216148 /nfs/dbraw/zinc/21/61/48/654216148.db2.gz HNLLHPCDOZAJQO-OAHLLOKOSA-N 1 0 375.270 2.323 20 0 GEADRO C[C@H]1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CC[N@@H+]1C ZINC000890346841 654216201 /nfs/dbraw/zinc/21/62/01/654216201.db2.gz DKMNKVAIBZMCGA-NOLJZWGESA-N 1 0 394.313 2.179 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCO[C@@]34CCOC4)nc12 ZINC000903147359 654221573 /nfs/dbraw/zinc/22/15/73/654221573.db2.gz IHRROICCZQFCKQ-NVXWUHKLSA-N 1 0 380.286 2.485 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000903153698 654222127 /nfs/dbraw/zinc/22/21/27/654222127.db2.gz IAKSBOFQPRAKOH-GTPINHCMSA-N 1 0 387.567 2.350 20 0 GEADRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccc(S(C)(=O)=O)s2)cc(Cl)n1 ZINC000831988816 654222495 /nfs/dbraw/zinc/22/24/95/654222495.db2.gz WSJFBANHFRDEOW-LBPRGKRZSA-N 1 0 387.914 2.215 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903185951 654224834 /nfs/dbraw/zinc/22/48/34/654224834.db2.gz IEBHOLZDCUFYIM-BMGDILEWSA-N 1 0 384.314 2.446 20 0 GEADRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903186466 654224876 /nfs/dbraw/zinc/22/48/76/654224876.db2.gz KUZHIWBWDIMQTP-GFCCVEGCSA-N 1 0 380.432 2.087 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903186091 654224931 /nfs/dbraw/zinc/22/49/31/654224931.db2.gz IEBHOLZDCUFYIM-QGTPRVQTSA-N 1 0 384.314 2.446 20 0 GEADRO OC[C@H](C[NH2+][C@H]1CCO[C@@]12CCOC2)Cc1cc(Br)ccc1F ZINC000903185295 654224955 /nfs/dbraw/zinc/22/49/55/654224955.db2.gz CWFCEZAWNKDFDE-AFAVFJNCSA-N 1 0 388.277 2.277 20 0 GEADRO COC[C@H](CC1CCOCC1)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000903188983 654225356 /nfs/dbraw/zinc/22/53/56/654225356.db2.gz LSPYDZWAKVDDIL-INIZCTEOSA-N 1 0 376.563 2.048 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000903203136 654226129 /nfs/dbraw/zinc/22/61/29/654226129.db2.gz OZLXBYGLIBAKOH-UHFFFAOYSA-N 1 0 377.279 2.447 20 0 GEADRO Cn1ncc(I)c1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903212745 654227453 /nfs/dbraw/zinc/22/74/53/654227453.db2.gz KXLAKDRZUCSROD-VGPLMAKISA-N 1 0 386.281 2.272 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903224552 654228416 /nfs/dbraw/zinc/22/84/16/654228416.db2.gz YENOGSLYGFLLEO-QJZXMWHDSA-N 1 0 379.400 2.435 20 0 GEADRO C[C@@H](CCc1cncc2ccccc21)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903227452 654228938 /nfs/dbraw/zinc/22/89/38/654228938.db2.gz VILHNUAKMAGXLN-AWEZNQCLSA-N 1 0 383.539 2.203 20 0 GEADRO C[C@@H]([NH2+]CCN1CCCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903228451 654229453 /nfs/dbraw/zinc/22/94/53/654229453.db2.gz QXFWIKFGDBILQD-CYBMUJFWSA-N 1 0 380.432 2.353 20 0 GEADRO C[C@]12CC[N@H+](CCN3CCOCC3)C[C@H]1C2(Br)Br ZINC000852335697 654233877 /nfs/dbraw/zinc/23/38/77/654233877.db2.gz KWZLNKIVEBEYNH-NEPJUHHUSA-N 1 0 382.140 2.147 20 0 GEADRO Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000903324696 654234206 /nfs/dbraw/zinc/23/42/06/654234206.db2.gz INAVBIXMGUFVGU-TZMCWYRMSA-N 1 0 376.258 2.108 20 0 GEADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000852351139 654235022 /nfs/dbraw/zinc/23/50/22/654235022.db2.gz IYRXYEPOBAVBHN-FMKPAKJESA-N 1 0 377.453 2.339 20 0 GEADRO CO[C@]1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCS(=O)(=O)C1 ZINC000903362640 654235168 /nfs/dbraw/zinc/23/51/68/654235168.db2.gz ILNWIQIRHKERKC-CJNGLKHVSA-N 1 0 388.327 2.100 20 0 GEADRO CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)cc2F)CCS(=O)(=O)C1 ZINC000903361763 654235369 /nfs/dbraw/zinc/23/53/69/654235369.db2.gz AUXUDSFSZJIHHE-YGRLFVJLSA-N 1 0 380.279 2.443 20 0 GEADRO CO[C@]1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCS(=O)(=O)C1 ZINC000903367115 654236607 /nfs/dbraw/zinc/23/66/07/654236607.db2.gz XPAPIHCWNZXHNO-CABCVRRESA-N 1 0 378.416 2.271 20 0 GEADRO CO[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCS(=O)(=O)C1 ZINC000903368000 654236614 /nfs/dbraw/zinc/23/66/14/654236614.db2.gz LGYZISDLQVHDHJ-GOSISDBHSA-N 1 0 386.945 2.098 20 0 GEADRO CO[C@]1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CCS(=O)(=O)C1 ZINC000903367678 654236704 /nfs/dbraw/zinc/23/67/04/654236704.db2.gz IZRVFMIMJYOEBT-GJZGRUSLSA-N 1 0 379.400 2.366 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ncc(Br)cc1F ZINC000903394257 654237492 /nfs/dbraw/zinc/23/74/92/654237492.db2.gz BUQAKLMMYAJFIV-ONGXEEELSA-N 1 0 382.237 2.408 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ncc(Br)cc1F ZINC000903394255 654237557 /nfs/dbraw/zinc/23/75/57/654237557.db2.gz BUQAKLMMYAJFIV-KOLCDFICSA-N 1 0 382.237 2.408 20 0 GEADRO CN(c1cccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)c1)S(C)(=O)=O ZINC000903424386 654238515 /nfs/dbraw/zinc/23/85/15/654238515.db2.gz TYFUWUSZQWTNFL-UHFFFAOYSA-N 1 0 380.432 2.408 20 0 GEADRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000852432306 654239134 /nfs/dbraw/zinc/23/91/34/654239134.db2.gz YHUOKLJHKBJTOQ-STQMWFEESA-N 1 0 375.252 2.260 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1cccnc1Cl)CCS2(=O)=O ZINC000903451032 654239504 /nfs/dbraw/zinc/23/95/04/654239504.db2.gz BSFYRTDKLLBDIT-QGXCKBJSSA-N 1 0 386.901 2.285 20 0 GEADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2cccc(F)c2Br)CC1 ZINC000903464638 654239920 /nfs/dbraw/zinc/23/99/20/654239920.db2.gz UTKQMTYFQGZGMP-CABCVRRESA-N 1 0 398.276 2.345 20 0 GEADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000903479159 654240404 /nfs/dbraw/zinc/24/04/04/654240404.db2.gz JPOOIBLIIJCXFR-QWRGUYRKSA-N 1 0 394.273 2.068 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000903493771 654241601 /nfs/dbraw/zinc/24/16/01/654241601.db2.gz VAALJWHUMKJYEB-LRDDRELGSA-N 1 0 378.922 2.405 20 0 GEADRO [NH3+]CCCCCCNS(=O)(=O)c1ccc(I)s1 ZINC000903505502 654242902 /nfs/dbraw/zinc/24/29/02/654242902.db2.gz DMZYMTVHHYGDBS-UHFFFAOYSA-N 1 0 388.296 2.150 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c1F ZINC000903513135 654244376 /nfs/dbraw/zinc/24/43/76/654244376.db2.gz SWHWFPGUCKZUAK-VIFPVBQESA-N 1 0 381.267 2.099 20 0 GEADRO CCOC1CC(C[NH+]2CCC(n3nncc3I)CC2)C1 ZINC000852532120 654246007 /nfs/dbraw/zinc/24/60/07/654246007.db2.gz DBPRCBAFHWSPRI-UHFFFAOYSA-N 1 0 390.269 2.335 20 0 GEADRO Ic1cnnn1C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000852532287 654246245 /nfs/dbraw/zinc/24/62/45/654246245.db2.gz HDCCWUMYBQFJCC-LBPRGKRZSA-N 1 0 376.242 2.089 20 0 GEADRO Cc1c(Cl)c(C(=O)N(C)CC(C)(C)C[NH+](C)C)sc1S(N)(=O)=O ZINC000890881021 654246494 /nfs/dbraw/zinc/24/64/94/654246494.db2.gz QITLOYOESCTTKQ-UHFFFAOYSA-N 1 0 381.951 2.017 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2c(Br)ccc(OC)c2F)CC[C@H]1[NH3+] ZINC000903518515 654246816 /nfs/dbraw/zinc/24/68/16/654246816.db2.gz QXYQYEBTLBVVJB-MWLCHTKSSA-N 1 0 395.294 2.345 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1F ZINC000903519005 654247302 /nfs/dbraw/zinc/24/73/02/654247302.db2.gz USGFSABVDZWCKY-JTQLQIEISA-N 1 0 395.294 2.346 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903519501 654247815 /nfs/dbraw/zinc/24/78/15/654247815.db2.gz XLTMKPJNHZDZJF-DGCLKSJQSA-N 1 0 394.235 2.229 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)c1F ZINC000903522038 654248117 /nfs/dbraw/zinc/24/81/17/654248117.db2.gz MNBLLBKVASIBOG-JTQLQIEISA-N 1 0 383.283 2.249 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c1F ZINC000903522039 654248578 /nfs/dbraw/zinc/24/85/78/654248578.db2.gz MNBLLBKVASIBOG-SNVBAGLBSA-N 1 0 383.283 2.249 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCCC2CC[NH2+]CC2)c1F ZINC000903523357 654248621 /nfs/dbraw/zinc/24/86/21/654248621.db2.gz ZGPZRCHIUUHFJA-UHFFFAOYSA-N 1 0 395.294 2.265 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c1F ZINC000903525521 654249495 /nfs/dbraw/zinc/24/94/95/654249495.db2.gz SUUVXENHEMQBJO-NSHDSACASA-N 1 0 393.278 2.160 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)c1F ZINC000903525673 654249826 /nfs/dbraw/zinc/24/98/26/654249826.db2.gz OHYRCKXUQPZOBV-UHFFFAOYSA-N 1 0 393.278 2.241 20 0 GEADRO CS(=O)(=O)c1ccc(OCCCN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903534330 654250702 /nfs/dbraw/zinc/25/07/02/654250702.db2.gz FOGIEOPWRUBMRP-HUUCEWRRSA-N 1 0 380.432 2.071 20 0 GEADRO [NH3+][C@H]1CN(CC(=O)NCCCSc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000903535383 654251049 /nfs/dbraw/zinc/25/10/49/654251049.db2.gz SOMHUJOYMFDOBV-GJZGRUSLSA-N 1 0 375.460 2.497 20 0 GEADRO [NH3+][C@H]1CN(CC(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000903535162 654251189 /nfs/dbraw/zinc/25/11/89/654251189.db2.gz MPFXNTMADPZKFE-KBPBESRZSA-N 1 0 379.810 2.047 20 0 GEADRO [NH3+][C@H]1CN(CC(=O)NCCOc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000903535872 654251199 /nfs/dbraw/zinc/25/11/99/654251199.db2.gz YHPOUGZLTSICLU-KBPBESRZSA-N 1 0 379.810 2.047 20 0 GEADRO Cc1ccc(S(=O)(=O)C2CCN(C(=S)NCCC[NH+](C)C)CC2)cc1 ZINC000871675489 654251358 /nfs/dbraw/zinc/25/13/58/654251358.db2.gz UCUGGVWZJGYSLK-UHFFFAOYSA-N 1 0 383.583 2.059 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000903537983 654251478 /nfs/dbraw/zinc/25/14/78/654251478.db2.gz JRXVAJFVUZMYIQ-UHFFFAOYSA-N 1 0 386.823 2.487 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c(C)c1Cl ZINC000903537689 654251515 /nfs/dbraw/zinc/25/15/15/654251515.db2.gz ZBSHPIBBCFEBEQ-MEBBXXQBSA-N 1 0 392.930 2.389 20 0 GEADRO C[C@]12CCN(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C[C@H]1C2(Cl)Cl ZINC000852639029 654251971 /nfs/dbraw/zinc/25/19/71/654251971.db2.gz QZIKUDFICHIOQX-LZWOXQAQSA-N 1 0 376.328 2.465 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000903543237 654252681 /nfs/dbraw/zinc/25/26/81/654252681.db2.gz UTFYSDMTGLAJGY-UHFFFAOYSA-N 1 0 384.445 2.427 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c(Cl)cc1F ZINC000903544876 654252904 /nfs/dbraw/zinc/25/29/04/654252904.db2.gz KXCHOXOSOCYTBR-LBPRGKRZSA-N 1 0 376.881 2.225 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Cl)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544743 654252991 /nfs/dbraw/zinc/25/29/91/654252991.db2.gz XKQDEKCZARCKHW-AWEZNQCLSA-N 1 0 376.881 2.057 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000903548485 654253694 /nfs/dbraw/zinc/25/36/94/654253694.db2.gz UYGZZASLHBOYER-VXGBXAGGSA-N 1 0 390.347 2.039 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@H]1CC[NH3+] ZINC000903556404 654255242 /nfs/dbraw/zinc/25/52/42/654255242.db2.gz XZBDUKTWLYZHBL-VXGBXAGGSA-N 1 0 390.347 2.121 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000903556526 654255385 /nfs/dbraw/zinc/25/53/85/654255385.db2.gz CPRQDFRFGFJIHH-UHFFFAOYSA-N 1 0 389.315 2.268 20 0 GEADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1cc(Br)cnc1Cl ZINC000903557241 654255666 /nfs/dbraw/zinc/25/56/66/654255666.db2.gz VAWDVGXVDNMLNA-UHFFFAOYSA-N 1 0 394.722 2.308 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903565538 654257127 /nfs/dbraw/zinc/25/71/27/654257127.db2.gz ZVODWRXVTHYYJX-GRYCIOLGSA-N 1 0 375.288 2.019 20 0 GEADRO O=S(=O)(NCc1ccc(CN2CC[NH2+]CC2)cc1)c1sccc1Cl ZINC000903564475 654257172 /nfs/dbraw/zinc/25/71/72/654257172.db2.gz WSAWLKCJXHYYNI-UHFFFAOYSA-N 1 0 385.942 2.285 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc(F)c1F ZINC000832298154 654258021 /nfs/dbraw/zinc/25/80/21/654258021.db2.gz KETLFVVQWRUFLS-UHFFFAOYSA-N 1 0 378.441 2.150 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000871803874 654260871 /nfs/dbraw/zinc/26/08/71/654260871.db2.gz VZOJUVCZFLFYSK-LBPRGKRZSA-N 1 0 385.917 2.235 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000852799046 654260918 /nfs/dbraw/zinc/26/09/18/654260918.db2.gz RKGYPSICQSZACW-UHFFFAOYSA-N 1 0 392.244 2.496 20 0 GEADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000871804440 654260943 /nfs/dbraw/zinc/26/09/43/654260943.db2.gz AHYXWQPBNRINLN-IYPVNNRCSA-N 1 0 391.534 2.083 20 0 GEADRO O=C(NCCc1ccc(Br)cc1F)c1cnnn1C1CC[NH2+]CC1 ZINC000852803776 654261226 /nfs/dbraw/zinc/26/12/26/654261226.db2.gz PJQCELCOWDXVSG-UHFFFAOYSA-N 1 0 396.264 2.077 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c32)CC[C@H]1C(F)(F)F ZINC000903580710 654261819 /nfs/dbraw/zinc/26/18/19/654261819.db2.gz XXWMJFRUEOEFSR-VXNVDRBHSA-N 1 0 382.795 2.117 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c(Cl)cc1F ZINC000871809958 654261961 /nfs/dbraw/zinc/26/19/61/654261961.db2.gz HCZIKZQGCSXBFL-GFCCVEGCSA-N 1 0 376.881 2.225 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Cl)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809098 654262022 /nfs/dbraw/zinc/26/20/22/654262022.db2.gz PYQMNENPJRXNAH-CQSZACIVSA-N 1 0 376.881 2.057 20 0 GEADRO CSc1ccc(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000871810222 654262410 /nfs/dbraw/zinc/26/24/10/654262410.db2.gz KWLRDVDPXKIMBO-LBPRGKRZSA-N 1 0 390.958 2.499 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903583062 654262492 /nfs/dbraw/zinc/26/24/92/654262492.db2.gz BGWVFLYLAFJZKI-YMTOWFKASA-N 1 0 393.278 2.099 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H]1C(F)(F)F ZINC000871813130 654263128 /nfs/dbraw/zinc/26/31/28/654263128.db2.gz GDZFWXYHKLXDCU-NKWVEPMBSA-N 1 0 378.203 2.146 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)C[C@H]1C(F)(F)F ZINC000871812856 654263257 /nfs/dbraw/zinc/26/32/57/654263257.db2.gz LQLKQSRMNSTTNS-POYBYMJQSA-N 1 0 378.203 2.146 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH3+])CCCC2)c1 ZINC000852852820 654263874 /nfs/dbraw/zinc/26/38/74/654263874.db2.gz KHCVSEIEDYRLPG-UHFFFAOYSA-N 1 0 387.933 2.370 20 0 GEADRO COc1ncc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)cc1Cl ZINC000903588298 654264058 /nfs/dbraw/zinc/26/40/58/654264058.db2.gz IGUSPZXGMAKSNL-SNVBAGLBSA-N 1 0 385.848 2.209 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1Cl ZINC000903586875 654264123 /nfs/dbraw/zinc/26/41/23/654264123.db2.gz LRNYCMMXOJZCHK-ZDUSSCGKSA-N 1 0 397.324 2.376 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])c(Cl)cc1Cl ZINC000903589636 654264539 /nfs/dbraw/zinc/26/45/39/654264539.db2.gz QFXQHABFPNKKCG-PSLIRLAXSA-N 1 0 393.292 2.282 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC000871815820 654264832 /nfs/dbraw/zinc/26/48/32/654264832.db2.gz VKVGKJZXZSWXKA-ZIAGYGMSSA-N 1 0 375.288 2.021 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000903590163 654264847 /nfs/dbraw/zinc/26/48/47/654264847.db2.gz QUEWHSPIMMTFKV-UHFFFAOYSA-N 1 0 383.283 2.215 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592892 654265756 /nfs/dbraw/zinc/26/57/56/654265756.db2.gz IPSGXJSHDHSHNV-KRWDZBQOSA-N 1 0 388.917 2.272 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852893631 654265723 /nfs/dbraw/zinc/26/57/23/654265723.db2.gz YXHXTCMBBHCCQI-VYDXJSESSA-N 1 0 380.286 2.276 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)C=C3CC[NH2+]CC3)C2=O)ccc1Br ZINC000852888105 654265938 /nfs/dbraw/zinc/26/59/38/654265938.db2.gz FBTATTSJZUWINH-INIZCTEOSA-N 1 0 392.297 2.289 20 0 GEADRO [NH3+][C@@H](C[C@@H]1CCCN(S(=O)(=O)N=S2(=O)CCCC2)C1)C1CCCC1 ZINC000871822530 654266120 /nfs/dbraw/zinc/26/61/20/654266120.db2.gz HUTHZOZVWRMCOV-HOCLYGCPSA-N 1 0 377.576 2.113 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593711 654266106 /nfs/dbraw/zinc/26/61/06/654266106.db2.gz TUEYUKDLQQGDEF-DYVFJYSZSA-N 1 0 388.917 2.270 20 0 GEADRO CN(CCCCCC[NH3+])S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000871823916 654266634 /nfs/dbraw/zinc/26/66/34/654266634.db2.gz RPICGZRMLJFJDU-UHFFFAOYSA-N 1 0 381.420 2.327 20 0 GEADRO Cc1n[nH]c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1Br ZINC000852906849 654267617 /nfs/dbraw/zinc/26/76/17/654267617.db2.gz UZELOUYYLXZPAU-CHWSQXEVSA-N 1 0 381.249 2.495 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000852918723 654268445 /nfs/dbraw/zinc/26/84/45/654268445.db2.gz GDKUGXXLOWVCFR-FNORWQNLSA-N 1 0 398.301 2.162 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cccc2nsnc21)c1cccnc1 ZINC000921479235 654272444 /nfs/dbraw/zinc/27/24/44/654272444.db2.gz DVLVCIVAGAPEQE-CYBMUJFWSA-N 1 0 377.495 2.058 20 0 GEADRO O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CCC1SCCS1 ZINC000853019552 654272496 /nfs/dbraw/zinc/27/24/96/654272496.db2.gz DEUZTVNFNAJEEO-GOSISDBHSA-N 1 0 377.535 2.379 20 0 GEADRO Cn1cc(-c2noc(-c3sc4c(c3I)C[NH2+]C4)n2)cn1 ZINC000853023721 654272556 /nfs/dbraw/zinc/27/25/56/654272556.db2.gz IQBMNCXTTCHKLP-UHFFFAOYSA-N 1 0 399.217 2.406 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C1 ZINC000832526665 654272583 /nfs/dbraw/zinc/27/25/83/654272583.db2.gz YDXVRIPOPOXSKR-QMMMGPOBSA-N 1 0 376.194 2.382 20 0 GEADRO CCC[N@H+](C)CC(C)(C)NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000853044868 654273989 /nfs/dbraw/zinc/27/39/89/654273989.db2.gz PMOQCLHUWQJIFO-UHFFFAOYSA-N 1 0 386.587 2.344 20 0 GEADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@@]1(C)CC1(Cl)Cl ZINC000832555367 654275237 /nfs/dbraw/zinc/27/52/37/654275237.db2.gz MZZLYQKFYQRLRQ-CYBMUJFWSA-N 1 0 385.288 2.368 20 0 GEADRO Cc1nc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)sc1Br ZINC000921522358 654277570 /nfs/dbraw/zinc/27/75/70/654277570.db2.gz PSZPEDWZYHYIFY-UHFFFAOYSA-N 1 0 390.328 2.194 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c(C)c1Cl ZINC000853081312 654277651 /nfs/dbraw/zinc/27/76/51/654277651.db2.gz PFHXZHZXRGINHF-ZCFIWIBFSA-N 1 0 394.824 2.007 20 0 GEADRO CC(=O)N1CCN(CC[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000921532850 654278454 /nfs/dbraw/zinc/27/84/54/654278454.db2.gz NQUKVGVIHVMNNO-UHFFFAOYSA-N 1 0 397.292 2.323 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)c1ccccn1)Cc1cc(Br)ccc1F ZINC000853110864 654279516 /nfs/dbraw/zinc/27/95/16/654279516.db2.gz KYZIWRTYKWYPOV-YVEFUNNKSA-N 1 0 383.261 2.457 20 0 GEADRO O=C1N(CC[NH2+]C[C@@H](O)c2ccccc2Br)C[C@@H]2CCCCN12 ZINC000853118802 654280260 /nfs/dbraw/zinc/28/02/60/654280260.db2.gz RCRWZCYSUZCXRK-XJKSGUPXSA-N 1 0 382.302 2.362 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903716096 654280909 /nfs/dbraw/zinc/28/09/09/654280909.db2.gz QXRQMQBUJWKQNP-VHSXEESVSA-N 1 0 383.823 2.098 20 0 GEADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903718274 654280996 /nfs/dbraw/zinc/28/09/96/654280996.db2.gz JSEQVTSFMJPUQK-ZDUSSCGKSA-N 1 0 377.963 2.098 20 0 GEADRO Cc1cccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1Br ZINC000903779257 654283240 /nfs/dbraw/zinc/28/32/40/654283240.db2.gz XMEWYRLUMXPJHB-KFWWJZLASA-N 1 0 380.286 2.124 20 0 GEADRO COCC[C@H]1C[NH2+]CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000903836063 654285163 /nfs/dbraw/zinc/28/51/63/654285163.db2.gz CDVDFWVNOWGYMZ-HNNXBMFYSA-N 1 0 395.301 2.233 20 0 GEADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)C(C)(Cl)Cl)c1 ZINC000803641834 654286286 /nfs/dbraw/zinc/28/62/86/654286286.db2.gz WJPVZLGZGUQVJK-UHFFFAOYSA-N 1 0 396.340 2.439 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)Nc1ccc(I)cc1)C2 ZINC000903850500 654287590 /nfs/dbraw/zinc/28/75/90/654287590.db2.gz SHTXESZATRKDJF-JKOKRWQUSA-N 1 0 385.249 2.041 20 0 GEADRO O=C(CN1CCC[C@@]12CC[NH2+]C2)Nc1ccccc1I ZINC000903862923 654287879 /nfs/dbraw/zinc/28/78/79/654287879.db2.gz GREXMYXTFSHJTN-HNNXBMFYSA-N 1 0 385.249 2.058 20 0 GEADRO CC[NH+]1CCC(NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000853237783 654288614 /nfs/dbraw/zinc/28/86/14/654288614.db2.gz WMHLDCBYUMXRPK-UHFFFAOYSA-N 1 0 382.302 2.146 20 0 GEADRO CN(CCOc1ccc(Br)cc1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903878492 654288813 /nfs/dbraw/zinc/28/88/13/654288813.db2.gz WDNXLTOZNWUQJN-HNNXBMFYSA-N 1 0 394.317 2.476 20 0 GEADRO C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1cc2c(cc1Br)OCCO2 ZINC000891395110 654290935 /nfs/dbraw/zinc/29/09/35/654290935.db2.gz PFDZULCIWVSHBA-DCAQKATOSA-N 1 0 382.258 2.037 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000891404423 654291377 /nfs/dbraw/zinc/29/13/77/654291377.db2.gz LNNFTZANAPPUOI-UHFFFAOYSA-N 1 0 395.301 2.443 20 0 GEADRO CC(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC000903905628 654291611 /nfs/dbraw/zinc/29/16/11/654291611.db2.gz KFUMQMMDNASMPA-HNNXBMFYSA-N 1 0 375.485 2.099 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cnc(Br)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000832742109 654292506 /nfs/dbraw/zinc/29/25/06/654292506.db2.gz ATHKQUXFOULIKF-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853398771 654294968 /nfs/dbraw/zinc/29/49/68/654294968.db2.gz OYSCXYOUAYQGRR-HZPDHXFCSA-N 1 0 394.313 2.289 20 0 GEADRO C[NH+]1CCC(OCC(=O)Oc2cccc(F)c2I)CC1 ZINC000904022355 654296418 /nfs/dbraw/zinc/29/64/18/654296418.db2.gz DCFUQEHBRWLUKE-UHFFFAOYSA-N 1 0 393.196 2.447 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)c1ccc2c(c1)S(=O)(=O)N=C2Cl ZINC000853452133 654296498 /nfs/dbraw/zinc/29/64/98/654296498.db2.gz RDSMQXHZHUTQHT-UHFFFAOYSA-N 1 0 378.885 2.338 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccnc3-n3cc(Br)cn3)C[C@@H]2C1 ZINC000832912541 654300863 /nfs/dbraw/zinc/30/08/63/654300863.db2.gz DNEVNRHMDWWHOZ-OLZOCXBDSA-N 1 0 390.285 2.054 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@H]1C(F)(F)F ZINC000891618590 654303042 /nfs/dbraw/zinc/30/30/42/654303042.db2.gz REBUPZDYTUKPKK-JGVFFNPUSA-N 1 0 390.353 2.483 20 0 GEADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891690652 654306778 /nfs/dbraw/zinc/30/67/78/654306778.db2.gz DOSIJAFXFHXNQB-JTQLQIEISA-N 1 0 378.217 2.199 20 0 GEADRO COC(=O)c1c2cnn(C[N@@H+]3CCC4(COC4)C3)c2ccc1Br ZINC000853598243 654307706 /nfs/dbraw/zinc/30/77/06/654307706.db2.gz PEGDAJVJJIGAOY-UHFFFAOYSA-N 1 0 380.242 2.265 20 0 GEADRO CC(C)(C)CC[C@@H]([NH3+])CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000904341466 654307763 /nfs/dbraw/zinc/30/77/63/654307763.db2.gz RMCAMFTXHGIGSF-CYBMUJFWSA-N 1 0 387.512 2.428 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)c1=O ZINC000904369040 654308465 /nfs/dbraw/zinc/30/84/65/654308465.db2.gz WNIIQWBVRZMSEN-UHFFFAOYSA-N 1 0 385.306 2.377 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CCC[C@@]12CC[NH2+]C2 ZINC000904417920 654309681 /nfs/dbraw/zinc/30/96/81/654309681.db2.gz OMFRVDRAHAAZCL-INIZCTEOSA-N 1 0 391.273 2.390 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3oc4ccccc4c3Br)C[C@H]21 ZINC000872006008 654309830 /nfs/dbraw/zinc/30/98/30/654309830.db2.gz IKDHJUGLSLOZOC-YABSGUDNSA-N 1 0 385.283 2.376 20 0 GEADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(I)ccc1C ZINC000904424975 654310466 /nfs/dbraw/zinc/31/04/66/654310466.db2.gz STUPIKIUFGKLFP-LBPRGKRZSA-N 1 0 389.237 2.052 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1C(F)F ZINC000921719537 654310801 /nfs/dbraw/zinc/31/08/01/654310801.db2.gz RVXJQJQLWLUCEO-UHFFFAOYSA-N 1 0 376.473 2.351 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc2ccccc2nc1Br ZINC000904451565 654311662 /nfs/dbraw/zinc/31/16/62/654311662.db2.gz ZOYCLRMDFDAAOV-GFCCVEGCSA-N 1 0 379.258 2.449 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c1Br ZINC000904485822 654312532 /nfs/dbraw/zinc/31/25/32/654312532.db2.gz WOZLHNYOSVDUKP-MGPLVRAMSA-N 1 0 381.274 2.154 20 0 GEADRO CN1CCN(C)[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872034094 654312902 /nfs/dbraw/zinc/31/29/02/654312902.db2.gz GDEQZCUTJQZOAA-KBAYOESNSA-N 1 0 382.346 2.362 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000904538014 654313042 /nfs/dbraw/zinc/31/30/42/654313042.db2.gz LCIAXOQUQZHZBF-XXFAHNHDSA-N 1 0 395.257 2.125 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNc2nc(C)c(C(=O)OC)cc2Br)CC1 ZINC000891829610 654313612 /nfs/dbraw/zinc/31/36/12/654313612.db2.gz OGAITOYZSYGTBC-GFCCVEGCSA-N 1 0 399.333 2.377 20 0 GEADRO CN1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)[C@H](C[NH3+])C1 ZINC000834303622 654314295 /nfs/dbraw/zinc/31/42/95/654314295.db2.gz JJVIIGAZNOJSKB-OAHLLOKOSA-N 1 0 381.567 2.035 20 0 GEADRO Brc1cnn(Cc2noc([C@@H]3CC[NH2+][C@@H]([C@H]4CCCO4)C3)n2)c1 ZINC000904619401 654314444 /nfs/dbraw/zinc/31/44/44/654314444.db2.gz ZRJXPOLKIFFNBY-RAIGVLPGSA-N 1 0 382.262 2.092 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000891842074 654314394 /nfs/dbraw/zinc/31/43/94/654314394.db2.gz ZVULXDDIVGMVDC-CQSZACIVSA-N 1 0 385.555 2.263 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148833 654314490 /nfs/dbraw/zinc/31/44/90/654314490.db2.gz KXKFVHXDXNIVBH-ADEWGFFLSA-N 1 0 380.208 2.045 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148836 654314543 /nfs/dbraw/zinc/31/45/43/654314543.db2.gz KXKFVHXDXNIVBH-USWWRNFRSA-N 1 0 380.208 2.045 20 0 GEADRO CC1(C)CC[C@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)[NH2+]C1 ZINC000891855687 654315236 /nfs/dbraw/zinc/31/52/36/654315236.db2.gz LYZCTOFRPWOMOE-CYBMUJFWSA-N 1 0 387.933 2.321 20 0 GEADRO C[C@H](O)CN1CCN(c2cc(Br)cnc2Br)[C@@H](C)C1 ZINC000804624109 654315590 /nfs/dbraw/zinc/31/55/90/654315590.db2.gz JYGADDLVYHRUDZ-UWVGGRQHSA-N 1 0 393.123 2.498 20 0 GEADRO COc1cc(Br)c(Cc2noc([C@@H](N)C[NH+](C)C)n2)cc1OC ZINC000872177538 654315713 /nfs/dbraw/zinc/31/57/13/654315713.db2.gz BWHJDNVXZVXXMF-NSHDSACASA-N 1 0 385.262 2.002 20 0 GEADRO Cc1cc(Br)ccc1Cc1noc([C@H]2CCCN(CC[NH3+])C2=O)n1 ZINC000904671740 654315775 /nfs/dbraw/zinc/31/57/75/654315775.db2.gz AAEDXPVIHXAWEZ-CQSZACIVSA-N 1 0 393.285 2.396 20 0 GEADRO Cn1nc2c(c1C[NH2+]CCNC(=O)c1cccc(Br)c1)CCC2 ZINC000921738498 654316068 /nfs/dbraw/zinc/31/60/68/654316068.db2.gz FUEBAZKDOAYSLJ-UHFFFAOYSA-N 1 0 377.286 2.191 20 0 GEADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1-c1nc(-c2cnn(C)c2Br)no1 ZINC000872180643 654316071 /nfs/dbraw/zinc/31/60/71/654316071.db2.gz SSWNGADAHUSEIV-JTQLQIEISA-N 1 0 392.261 2.329 20 0 GEADRO COc1nc(-c2noc(-c3ccc4n3CC[NH2+][C@H]4C)n2)ncc1Br ZINC000904684219 654316120 /nfs/dbraw/zinc/31/61/20/654316120.db2.gz VMRHGIPQCSUMJF-QMMMGPOBSA-N 1 0 391.229 2.430 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)CC1CC1 ZINC000872203357 654316421 /nfs/dbraw/zinc/31/64/21/654316421.db2.gz VZOHBUHSWOXWKA-CQSZACIVSA-N 1 0 382.309 2.148 20 0 GEADRO CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000872203407 654316451 /nfs/dbraw/zinc/31/64/51/654316451.db2.gz XUWVTDMTGNQHMD-NWDGAFQWSA-N 1 0 381.826 2.444 20 0 GEADRO CC(C)N(Cc1cccs1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872187750 654316550 /nfs/dbraw/zinc/31/65/50/654316550.db2.gz ZKUOPNYKUODXIO-DGCLKSJQSA-N 1 0 377.432 2.081 20 0 GEADRO O[C@H](C[NH2+]CCc1ccc(Br)cc1F)CC1(O)CCOCC1 ZINC000872199730 654316665 /nfs/dbraw/zinc/31/66/65/654316665.db2.gz CGGZVEXAFUYILH-AWEZNQCLSA-N 1 0 376.266 2.013 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000904689039 654316730 /nfs/dbraw/zinc/31/67/30/654316730.db2.gz GZQFKRPOHYJSCC-GHMZBOCLSA-N 1 0 379.258 2.411 20 0 GEADRO CCn1c(C[NH2+]C[C@](C)(O)CCOC)nc(Br)c1Br ZINC000921751601 654318139 /nfs/dbraw/zinc/31/81/39/654318139.db2.gz XSYGLWNWZWJLRS-GFCCVEGCSA-N 1 0 399.127 2.305 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000891922512 654318555 /nfs/dbraw/zinc/31/85/55/654318555.db2.gz QGEIFMDCWUCBPY-OAHLLOKOSA-N 1 0 387.933 2.287 20 0 GEADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891922113 654318707 /nfs/dbraw/zinc/31/87/07/654318707.db2.gz FRTZZXVKDIXOJR-DOTOQJQBSA-N 1 0 385.917 2.088 20 0 GEADRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c(I)cnn1C ZINC000872242793 654319321 /nfs/dbraw/zinc/31/93/21/654319321.db2.gz OAZJFJIKIWEVQX-NHYWBVRUSA-N 1 0 385.249 2.279 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CC1)CC1(O)CCOCC1 ZINC000872248379 654319803 /nfs/dbraw/zinc/31/98/03/654319803.db2.gz RPQFPAQRQVFPMK-MRXNPFEDSA-N 1 0 384.314 2.363 20 0 GEADRO CCN1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@]3(C)Br)CC2)CC1 ZINC000891949664 654320079 /nfs/dbraw/zinc/32/00/79/654320079.db2.gz VSXYQFBLPBLUQS-WMZOPIPTSA-N 1 0 386.378 2.426 20 0 GEADRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872263743 654320353 /nfs/dbraw/zinc/32/03/53/654320353.db2.gz CPQYXYHOCQJJMV-CABCVRRESA-N 1 0 384.263 2.391 20 0 GEADRO O=C(c1cc2sccc2s1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872258928 654320374 /nfs/dbraw/zinc/32/03/74/654320374.db2.gz GOFGZNNNLHAEME-NEPJUHHUSA-N 1 0 377.491 2.360 20 0 GEADRO Cc1cc(Br)c(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872257526 654320457 /nfs/dbraw/zinc/32/04/57/654320457.db2.gz SHAROLTXBRUBHB-RTXFEEFZSA-N 1 0 386.315 2.186 20 0 GEADRO CN(CC(=O)N1CC[NH2+]CCC1(C)C)C(=O)c1ccc(Br)s1 ZINC000872294268 654321622 /nfs/dbraw/zinc/32/16/22/654321622.db2.gz XRCSELIRBFKHLG-UHFFFAOYSA-N 1 0 388.331 2.183 20 0 GEADRO CC1(C)CC[NH2+]CCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000872292657 654321871 /nfs/dbraw/zinc/32/18/71/654321871.db2.gz LLGDSSHTWNPQAG-UHFFFAOYSA-N 1 0 379.917 2.488 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804815495 654322121 /nfs/dbraw/zinc/32/21/21/654322121.db2.gz UOWXUCUAHCNLDI-FUNVUKJBSA-N 1 0 386.949 2.298 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nc(Br)cs1 ZINC000853824610 654323703 /nfs/dbraw/zinc/32/37/03/654323703.db2.gz LDKMVRIIEYRUPW-CYBMUJFWSA-N 1 0 396.310 2.402 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C[N@@H+]1C1CC1 ZINC000853838102 654324601 /nfs/dbraw/zinc/32/46/01/654324601.db2.gz DZDSABJKTFFRHM-DOMZBBRYSA-N 1 0 394.313 2.287 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C(F)(F)F)n1 ZINC000904930876 654325042 /nfs/dbraw/zinc/32/50/42/654325042.db2.gz XPIQYNQWQCNTFP-FUTJPDQTSA-N 1 0 377.432 2.177 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905006115 654326520 /nfs/dbraw/zinc/32/65/20/654326520.db2.gz HXGQMDIRRFIIDY-KSSFIOAISA-N 1 0 394.313 2.056 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000834466114 654327454 /nfs/dbraw/zinc/32/74/54/654327454.db2.gz GQRVSLKRMMBSON-LBPRGKRZSA-N 1 0 398.248 2.153 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892091478 654327846 /nfs/dbraw/zinc/32/78/46/654327846.db2.gz LGFGSFWFMMJQMK-BLLLJJGKSA-N 1 0 392.301 2.432 20 0 GEADRO CC[C@](O)(C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)C(F)(F)F ZINC000905050525 654328118 /nfs/dbraw/zinc/32/81/18/654328118.db2.gz OYIIBBZSZRGMFH-HNNXBMFYSA-N 1 0 380.432 2.264 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1ccc(Cl)cc1 ZINC000905062219 654328572 /nfs/dbraw/zinc/32/85/72/654328572.db2.gz LKZWNCARSDRRFY-WMZOPIPTSA-N 1 0 383.897 2.188 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccc(Cl)cc1 ZINC000905063065 654328679 /nfs/dbraw/zinc/32/86/79/654328679.db2.gz RKQULEKMRRSHGX-OAHLLOKOSA-N 1 0 375.918 2.007 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905079781 654329467 /nfs/dbraw/zinc/32/94/67/654329467.db2.gz IZAHSOHOEJVTDD-HNNXBMFYSA-N 1 0 381.325 2.288 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892131889 654330141 /nfs/dbraw/zinc/33/01/41/654330141.db2.gz QOMMDRZVOXAZRS-MRXNPFEDSA-N 1 0 384.318 2.296 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C1(O)CCC1 ZINC000905089982 654330408 /nfs/dbraw/zinc/33/04/08/654330408.db2.gz QLPKATYUQWTTFD-INIZCTEOSA-N 1 0 384.314 2.363 20 0 GEADRO CS(=O)(=O)CCN1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905107117 654332142 /nfs/dbraw/zinc/33/21/42/654332142.db2.gz UPYJAVDESNHGEB-INIZCTEOSA-N 1 0 395.352 2.125 20 0 GEADRO C[C@@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)Sc1ccc(Br)cc1 ZINC000905107460 654332203 /nfs/dbraw/zinc/33/22/03/654332203.db2.gz ZFCCDWCXAVUZHX-SWLSCSKDSA-N 1 0 390.343 2.422 20 0 GEADRO O=S(=O)(c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1)C(F)(F)F ZINC000853965133 654332781 /nfs/dbraw/zinc/33/27/81/654332781.db2.gz FEKSCRPPKVPUGW-CQSZACIVSA-N 1 0 378.416 2.016 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1(O)CCC1 ZINC000905162273 654334983 /nfs/dbraw/zinc/33/49/83/654334983.db2.gz ZAORGFNRSCWLAU-AAEUAGOBSA-N 1 0 379.810 2.198 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2nc(Br)c[nH]2)c1 ZINC000921875731 654336360 /nfs/dbraw/zinc/33/63/60/654336360.db2.gz ANZUTYNHDXULCI-ZDUSSCGKSA-N 1 0 378.274 2.234 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2C)C1 ZINC000805023619 654337104 /nfs/dbraw/zinc/33/71/04/654337104.db2.gz YAJVSUOXBBHQHP-CQSZACIVSA-N 1 0 375.922 2.165 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000834592730 654337177 /nfs/dbraw/zinc/33/71/77/654337177.db2.gz BIELXNMTHLDCTE-NEPJUHHUSA-N 1 0 378.523 2.314 20 0 GEADRO C[C@H](NC(=O)NCC1(n2cc(Br)cn2)CC1)C1=CC[N@H+](C)CC1 ZINC000921881049 654337254 /nfs/dbraw/zinc/33/72/54/654337254.db2.gz MVMODPJIULBZRH-LBPRGKRZSA-N 1 0 382.306 2.084 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000834594341 654337244 /nfs/dbraw/zinc/33/72/44/654337244.db2.gz RAHYWVBLKZUVQX-UHFFFAOYSA-N 1 0 387.933 2.324 20 0 GEADRO O=S(=O)(c1cccc(Br)n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000872445520 654337794 /nfs/dbraw/zinc/33/77/94/654337794.db2.gz NDODNHXGBHFGND-CYBMUJFWSA-N 1 0 388.331 2.483 20 0 GEADRO O=S(=O)(c1cccc(Br)n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000872448112 654338491 /nfs/dbraw/zinc/33/84/91/654338491.db2.gz JWPJRJBXUCUKME-CYBMUJFWSA-N 1 0 388.331 2.483 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)CCO2 ZINC000905201782 654338679 /nfs/dbraw/zinc/33/86/79/654338679.db2.gz PHLUBWWHIMIYSD-WQVCFCJDSA-N 1 0 394.320 2.353 20 0 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ZINC000921912209 654340768 /nfs/dbraw/zinc/34/07/68/654340768.db2.gz VWFWWJWIJWUZRC-LBPRGKRZSA-N 1 0 385.873 2.013 20 0 GEADRO CC[C@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000834648253 654341086 /nfs/dbraw/zinc/34/10/86/654341086.db2.gz UJESAZXMSSHOLM-GWCFXTLKSA-N 1 0 389.315 2.052 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000921913384 654341363 /nfs/dbraw/zinc/34/13/63/654341363.db2.gz YAPGLKZVLGKABP-AWEZNQCLSA-N 1 0 378.416 2.237 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000834668233 654341492 /nfs/dbraw/zinc/34/14/92/654341492.db2.gz IVMLHNCLXHAWDZ-DLBZAZTESA-N 1 0 375.918 2.081 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C1 ZINC000872456412 654341619 /nfs/dbraw/zinc/34/16/19/654341619.db2.gz NFPJUGRWRJIHJO-LBPRGKRZSA-N 1 0 376.320 2.197 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)cc1Cl ZINC000905231057 654341909 /nfs/dbraw/zinc/34/19/09/654341909.db2.gz IWMOVKYKMRUOGM-DOTOQJQBSA-N 1 0 383.897 2.318 20 0 GEADRO [NH3+][C@H]1C[C@H](c2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)C1 ZINC000854145520 654342223 /nfs/dbraw/zinc/34/22/23/654342223.db2.gz UEKGPSLLCJROQQ-XWEPSHTISA-N 1 0 376.214 2.276 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[NH2+]1 ZINC000834682048 654342438 /nfs/dbraw/zinc/34/24/38/654342438.db2.gz NGDPPUNYQXCQDS-RYUDHWBXSA-N 1 0 378.523 2.185 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)cc1Cl ZINC000905233030 654342531 /nfs/dbraw/zinc/34/25/31/654342531.db2.gz PFNPGNUGBRJFGF-AWEZNQCLSA-N 1 0 375.918 2.279 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000892355859 654342539 /nfs/dbraw/zinc/34/25/39/654342539.db2.gz DXIJOISUZSSOTB-STQMWFEESA-N 1 0 384.322 2.104 20 0 GEADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872459748 654343062 /nfs/dbraw/zinc/34/30/62/654343062.db2.gz WSBRVLWUKQUOQX-GFCCVEGCSA-N 1 0 385.917 2.235 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@H](O)CCC2(O)CCC2)CCN1c1cccc(Br)c1 ZINC000905237358 654343067 /nfs/dbraw/zinc/34/30/67/654343067.db2.gz JKNHKKQWJHDJDN-CVEARBPZSA-N 1 0 397.313 2.200 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1ncc(Br)cc1O ZINC000892379887 654343775 /nfs/dbraw/zinc/34/37/75/654343775.db2.gz JYBQVHMYDFGUNI-UHFFFAOYSA-N 1 0 379.258 2.322 20 0 GEADRO Cc1cc(C[NH2+][C@@H](CO)c2cnn(C)c2)c(C)cc1I ZINC000921939106 654345330 /nfs/dbraw/zinc/34/53/30/654345330.db2.gz UHABPDGWYGHQSF-HNNXBMFYSA-N 1 0 385.249 2.465 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)s2)CCC1)C[C@@]1(O)CCOC1 ZINC000905254986 654345511 /nfs/dbraw/zinc/34/55/11/654345511.db2.gz HULWOAPOPPPUOL-WBMJQRKESA-N 1 0 390.343 2.424 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccccc2Br)CCC1)C1(O)CCOCC1 ZINC000905264256 654346488 /nfs/dbraw/zinc/34/64/88/654346488.db2.gz UEDFKXZVBBLGAD-INIZCTEOSA-N 1 0 384.314 2.363 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000892469498 654347431 /nfs/dbraw/zinc/34/74/31/654347431.db2.gz RRXXNUQIPBHZCA-NXVRBGIVSA-N 1 0 396.329 2.265 20 0 GEADRO CCC[NH+]1CCC(NC(=O)c2csc(I)n2)CC1 ZINC000854273305 654347420 /nfs/dbraw/zinc/34/74/20/654347420.db2.gz WJRVPAMBRFLKKI-UHFFFAOYSA-N 1 0 379.267 2.352 20 0 GEADRO O=C(c1cc(Br)n[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000834777158 654347727 /nfs/dbraw/zinc/34/77/27/654347727.db2.gz FTIHPCKTJAOXMQ-OKILXGFUSA-N 1 0 375.270 2.376 20 0 GEADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1 ZINC000921962759 654348542 /nfs/dbraw/zinc/34/85/42/654348542.db2.gz BJBIPMYSPJPVCT-UHFFFAOYSA-N 1 0 384.889 2.481 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC000872474190 654348958 /nfs/dbraw/zinc/34/89/58/654348958.db2.gz ASGPMXIDHQORET-LBPRGKRZSA-N 1 0 379.448 2.068 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CCC1 ZINC000872474159 654349033 /nfs/dbraw/zinc/34/90/33/654349033.db2.gz ADHJQZWNIPRLLM-UHFFFAOYSA-N 1 0 385.917 2.377 20 0 GEADRO Cc1nc(Br)sc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000854306206 654349515 /nfs/dbraw/zinc/34/95/15/654349515.db2.gz DUAGSRIFBXVKJQ-LLVKDONJSA-N 1 0 376.320 2.301 20 0 GEADRO Brc1cnn(Cc2cc(-c3nc(CC4CC[NH2+]CC4)no3)no2)c1 ZINC000905317069 654349761 /nfs/dbraw/zinc/34/97/61/654349761.db2.gz QBTBGULYBDKRBF-UHFFFAOYSA-N 1 0 393.245 2.274 20 0 GEADRO O=C(NCCSCCC(F)(F)F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000892541592 654350173 /nfs/dbraw/zinc/35/01/73/654350173.db2.gz CNWPOJMTAIYHCB-AWEZNQCLSA-N 1 0 383.480 2.472 20 0 GEADRO COc1ccc([C@@H](C)NS(=O)(=O)CC2CC[NH2+]CC2)cc1Br ZINC000905331060 654350489 /nfs/dbraw/zinc/35/04/89/654350489.db2.gz HZUOSJADBUGLBA-LLVKDONJSA-N 1 0 391.331 2.438 20 0 GEADRO O=S(=O)(c1ccsc1-c1nc(CC2CC[NH2+]CC2)no1)N1CCCC1 ZINC000905318685 654350523 /nfs/dbraw/zinc/35/05/23/654350523.db2.gz QOPUZVBDCXHEGQ-UHFFFAOYSA-N 1 0 382.511 2.125 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000834817534 654350480 /nfs/dbraw/zinc/35/04/80/654350480.db2.gz USIQTUDPGOXBPU-UPJWGTAASA-N 1 0 387.933 2.226 20 0 GEADRO COc1ccc(CN(C)S(=O)(=O)CC2CC[NH2+]CC2)cc1OC(F)F ZINC000905331997 654350764 /nfs/dbraw/zinc/35/07/64/654350764.db2.gz FDIQNMLRNGQUCZ-UHFFFAOYSA-N 1 0 378.441 2.058 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000892561960 654351702 /nfs/dbraw/zinc/35/17/02/654351702.db2.gz WAMZPQMRGULBSE-WGRBQBNCSA-N 1 0 385.295 2.198 20 0 GEADRO Cc1ccc(Cl)cc1N1CC[C@H](CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905341146 654351859 /nfs/dbraw/zinc/35/18/59/654351859.db2.gz WFHWPINQHAFDMJ-MRXNPFEDSA-N 1 0 385.961 2.394 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566642 654351890 /nfs/dbraw/zinc/35/18/90/654351890.db2.gz RSRRPOPVCQAONR-BPNCWPANSA-N 1 0 376.284 2.112 20 0 GEADRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ncc(Br)cc3O)cn2)CCO1 ZINC000892580091 654352217 /nfs/dbraw/zinc/35/22/17/654352217.db2.gz GMWANOZZMUNZII-LBPRGKRZSA-N 1 0 393.285 2.460 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1Cl ZINC000905354838 654352480 /nfs/dbraw/zinc/35/24/80/654352480.db2.gz XMKYHCVSKFBMKO-OAHLLOKOSA-N 1 0 389.880 2.391 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000905353455 654352660 /nfs/dbraw/zinc/35/26/60/654352660.db2.gz GFXHRFPWRUEGPC-LLVKDONJSA-N 1 0 381.267 2.016 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000892584105 654352779 /nfs/dbraw/zinc/35/27/79/654352779.db2.gz XFTARMDZVOAPQV-AULYBMBSSA-N 1 0 385.295 2.198 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000905360127 654352966 /nfs/dbraw/zinc/35/29/66/654352966.db2.gz WXNAFCKVQCSHRY-LBPRGKRZSA-N 1 0 381.267 2.016 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000905359863 654353005 /nfs/dbraw/zinc/35/30/05/654353005.db2.gz PPEQLJVUOFEIJQ-AWEZNQCLSA-N 1 0 382.917 2.386 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000834858846 654353664 /nfs/dbraw/zinc/35/36/64/654353664.db2.gz YBEYOEHTFXPUKZ-NSHDSACASA-N 1 0 398.248 2.057 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1ccc(Br)cn1)C2 ZINC000892616701 654353789 /nfs/dbraw/zinc/35/37/89/654353789.db2.gz QAXMNRFPLCVWJM-UHFFFAOYSA-N 1 0 382.287 2.027 20 0 GEADRO COc1cc(C[NH2+]Cc2ncc(Br)cc2O)ccc1OCCO ZINC000892640467 654355096 /nfs/dbraw/zinc/35/50/96/654355096.db2.gz IFNDWGCHRWSRFW-UHFFFAOYSA-N 1 0 383.242 2.219 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nn(C(C)C)cc2Br)C1 ZINC000905394107 654355563 /nfs/dbraw/zinc/35/55/63/654355563.db2.gz ARLCLMKXCMSDSL-ZDUSSCGKSA-N 1 0 387.322 2.313 20 0 GEADRO O=C(NCc1cnc(Br)s1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000854356605 654355763 /nfs/dbraw/zinc/35/57/63/654355763.db2.gz RGFFXZYCSIYJFG-INIZCTEOSA-N 1 0 396.310 2.159 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000905429573 654356637 /nfs/dbraw/zinc/35/66/37/654356637.db2.gz DXAJKFRWLSSYTL-BXUZGUMPSA-N 1 0 380.279 2.179 20 0 GEADRO CS(=O)(=O)C1CC([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000892662711 654356775 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C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1csc(I)n1 ZINC000854455248 654361997 /nfs/dbraw/zinc/36/19/97/654361997.db2.gz FQHWASQJBJIDMN-GXSJLCMTSA-N 1 0 391.278 2.447 20 0 GEADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000905507362 654362080 /nfs/dbraw/zinc/36/20/80/654362080.db2.gz CTOKFPJWGSHUHN-GNHJJJEISA-N 1 0 375.918 2.273 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000835119911 654363032 /nfs/dbraw/zinc/36/30/32/654363032.db2.gz SXTBDWFKUJWDEW-CYBMUJFWSA-N 1 0 395.301 2.178 20 0 GEADRO C[C@]1(NC(=O)Cc2ccccc2I)C[NH+]2CCC1CC2 ZINC000892778832 654363645 /nfs/dbraw/zinc/36/36/45/654363645.db2.gz YLUOLEBJXSJBRQ-INIZCTEOSA-N 1 0 384.261 2.434 20 0 GEADRO COC(=O)CC1CC([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000905528845 654364092 /nfs/dbraw/zinc/36/40/92/654364092.db2.gz JYZDDUNOCRYGES-UZANAETPSA-N 1 0 390.249 2.259 20 0 GEADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c(=O)[nH]c1=O ZINC000905530748 654364433 /nfs/dbraw/zinc/36/44/33/654364433.db2.gz UOYUGQIFOWUGMC-CQSZACIVSA-N 1 0 396.285 2.290 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892817576 654365038 /nfs/dbraw/zinc/36/50/38/654365038.db2.gz FFEWHMXSWAQJDZ-VXGBXAGGSA-N 1 0 389.315 2.191 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)C[C@@H]2C1 ZINC000854525044 654365610 /nfs/dbraw/zinc/36/56/10/654365610.db2.gz BYZPQRPCLVEJCD-OLZOCXBDSA-N 1 0 376.400 2.004 20 0 GEADRO CS(=O)(=O)N1CCC(C[NH2+]CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000892851433 654366899 /nfs/dbraw/zinc/36/68/99/654366899.db2.gz PBUHFZQCQHETQI-UHFFFAOYSA-N 1 0 380.432 2.389 20 0 GEADRO CC(C)(C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)CS(C)(=O)=O ZINC000905578682 654367087 /nfs/dbraw/zinc/36/70/87/654367087.db2.gz JYJHMFNLDQYKRL-HNNXBMFYSA-N 1 0 396.322 2.456 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000892857881 654367295 /nfs/dbraw/zinc/36/72/95/654367295.db2.gz LNSGSEUNLKHYHH-CQSZACIVSA-N 1 0 378.274 2.412 20 0 GEADRO Cc1nc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)sc1Br ZINC000922106338 654367793 /nfs/dbraw/zinc/36/77/93/654367793.db2.gz NQMDJFOZMFGCDG-VHSXEESVSA-N 1 0 382.349 2.022 20 0 GEADRO O[C@H](C[NH2+]CC1(n2cc(Br)cn2)CC1)COCc1cccs1 ZINC000905587362 654368271 /nfs/dbraw/zinc/36/82/71/654368271.db2.gz ORBMXPKIJWAXTC-CYBMUJFWSA-N 1 0 386.315 2.364 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)c1 ZINC000835170056 654368368 /nfs/dbraw/zinc/36/83/68/654368368.db2.gz ROOMSRQCIAQEIK-UHFFFAOYSA-N 1 0 392.257 2.220 20 0 GEADRO C[N@H+](CCNC(=O)C1(c2c(Cl)cccc2Cl)CC1)CCOCCO ZINC000922118532 654368910 /nfs/dbraw/zinc/36/89/10/654368910.db2.gz BFYYCVZTBLTZJT-UHFFFAOYSA-N 1 0 375.296 2.082 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N(CC)CC)s2)[C@H]1OC ZINC000892901735 654369798 /nfs/dbraw/zinc/36/97/98/654369798.db2.gz CPTSFJYFOUNNDL-BFYDXBDKSA-N 1 0 390.571 2.103 20 0 GEADRO Cc1nc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)sc1Br ZINC000922120834 654369981 /nfs/dbraw/zinc/36/99/81/654369981.db2.gz AEZJXHKPVVTDRT-QWRGUYRKSA-N 1 0 396.376 2.412 20 0 GEADRO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)CCOCCO ZINC000922120445 654369989 /nfs/dbraw/zinc/36/99/89/654369989.db2.gz IEKSKFQFWFFVLL-HUUCEWRRSA-N 1 0 375.296 2.154 20 0 GEADRO O[C@H](C[NH2+]CCOC1CCOCC1)COc1cc(F)cc(Br)c1 ZINC000905611463 654370103 /nfs/dbraw/zinc/37/01/03/654370103.db2.gz ZGMMCEDKZPDSQJ-CQSZACIVSA-N 1 0 392.265 2.113 20 0 GEADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3ccc(Br)cc3)[C@@H]2C1 ZINC000905654499 654371986 /nfs/dbraw/zinc/37/19/86/654371986.db2.gz PFXOHGCPEGWNDX-YBSJNODJSA-N 1 0 398.297 2.366 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cnn(C(C)(C)C)c1Br ZINC000854642572 654372271 /nfs/dbraw/zinc/37/22/71/654372271.db2.gz MMPWYSBMRACIOA-KBPBESRZSA-N 1 0 399.333 2.336 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cnn(C(C)(C)C)c1Br ZINC000854642575 654372685 /nfs/dbraw/zinc/37/26/85/654372685.db2.gz MMPWYSBMRACIOA-ZIAGYGMSSA-N 1 0 399.333 2.336 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000835240143 654373969 /nfs/dbraw/zinc/37/39/69/654373969.db2.gz WJOVXDOEOCMQOL-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO NS(=O)(=O)c1ccc(CCC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000905687318 654374165 /nfs/dbraw/zinc/37/41/65/654374165.db2.gz NNJVCDGYNBKRBK-KRWDZBQOSA-N 1 0 386.876 2.382 20 0 GEADRO Brc1cncc([C@@H]2OCC[C@H]2[NH2+]Cc2cnc3n2CCOC3)c1 ZINC000922180758 654374167 /nfs/dbraw/zinc/37/41/67/654374167.db2.gz NAAGIRDHDXLJJW-ZBFHGGJFSA-N 1 0 379.258 2.191 20 0 GEADRO C[C@@H]1CN(C(=O)c2csc(I)n2)CC[N@@H+](C2CC2)C1 ZINC000854676793 654374623 /nfs/dbraw/zinc/37/46/23/654374623.db2.gz BZSWYFBYNJRMEP-VIFPVBQESA-N 1 0 391.278 2.304 20 0 GEADRO C[C@](O)(C[NH2+]Cc1cnc2n1CCOC2)c1ccc(Br)cc1F ZINC000905699494 654375387 /nfs/dbraw/zinc/37/53/87/654375387.db2.gz GVDIEDSXNMSHEG-INIZCTEOSA-N 1 0 384.249 2.312 20 0 GEADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000893003169 654375649 /nfs/dbraw/zinc/37/56/49/654375649.db2.gz YPOLCZCQWKBTLN-UHFFFAOYSA-N 1 0 388.917 2.108 20 0 GEADRO CCOC(=O)c1ncc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)s1 ZINC000893014606 654376276 /nfs/dbraw/zinc/37/62/76/654376276.db2.gz SMWYJXSRPZQSEJ-UHFFFAOYSA-N 1 0 375.376 2.330 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000835268228 654376538 /nfs/dbraw/zinc/37/65/38/654376538.db2.gz QGUFYPQHQPNBTD-CHWSQXEVSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000835268053 654376551 /nfs/dbraw/zinc/37/65/51/654376551.db2.gz XLCGWEKJYPLZNS-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO Ic1ccc(CC[NH2+]Cc2cnc3n2CCOC3)cc1 ZINC000922258219 654379275 /nfs/dbraw/zinc/37/92/75/654379275.db2.gz BFCBNJYCIYHDNB-UHFFFAOYSA-N 1 0 383.233 2.350 20 0 GEADRO C[NH+](C)CC1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000854722822 654379185 /nfs/dbraw/zinc/37/91/85/654379185.db2.gz MOAIJAYAVKAONP-UHFFFAOYSA-N 1 0 387.933 2.050 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)NCc2cc(N(C)C)cc[nH+]2)s1 ZINC000922261443 654379974 /nfs/dbraw/zinc/37/99/74/654379974.db2.gz QVEJPJRAXZZNFI-UHFFFAOYSA-N 1 0 382.511 2.002 20 0 GEADRO C[N@@H+]1CC[C@H]1CNC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000922261046 654380010 /nfs/dbraw/zinc/38/00/10/654380010.db2.gz SETZYIIQVFXVHF-LBPRGKRZSA-N 1 0 380.246 2.002 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(C(F)(F)Br)nc1 ZINC000854742268 654380027 /nfs/dbraw/zinc/38/00/27/654380027.db2.gz CJONFFFVMWQZEC-GFCCVEGCSA-N 1 0 392.244 2.102 20 0 GEADRO [NH3+]C1CCN(Cc2cn(Cc3c(F)ccc(Br)c3F)nn2)CC1 ZINC000905813109 654381415 /nfs/dbraw/zinc/38/14/15/654381415.db2.gz MLQKEVRQCAUNKM-UHFFFAOYSA-N 1 0 386.244 2.290 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000835348213 654382265 /nfs/dbraw/zinc/38/22/65/654382265.db2.gz LDYROHJAYKLUTH-OLZOCXBDSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+][C@H](C(N)=O)c3cccc(Br)c3)O2)CO1 ZINC000905841159 654384134 /nfs/dbraw/zinc/38/41/34/654384134.db2.gz YSEXIIVZPCQPRX-DUUDNCRHSA-N 1 0 383.286 2.292 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000922333622 654384364 /nfs/dbraw/zinc/38/43/64/654384364.db2.gz TZOBMMXIUALBEE-UHFFFAOYSA-N 1 0 387.933 2.326 20 0 GEADRO C[C@@H](COC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)[NH+]1CCCCC1 ZINC000893135495 654384307 /nfs/dbraw/zinc/38/43/07/654384307.db2.gz SOHCABBKZGEUQA-KBPBESRZSA-N 1 0 386.539 2.005 20 0 GEADRO CS(=O)(=O)C1CC([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000893137771 654384634 /nfs/dbraw/zinc/38/46/34/654384634.db2.gz DUSCKDOYFWPKMP-UNXYVOJBSA-N 1 0 397.850 2.498 20 0 GEADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000893140924 654385033 /nfs/dbraw/zinc/38/50/33/654385033.db2.gz ZUSKFQKRKZLGBD-GUTXKFCHSA-N 1 0 379.444 2.269 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)CC2CC2)C[C@@H]1C(F)(F)F ZINC000893168155 654387147 /nfs/dbraw/zinc/38/71/47/654387147.db2.gz QPSHSKPHDXSODD-MJBXVCDLSA-N 1 0 385.448 2.311 20 0 GEADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(Br)[nH]n1 ZINC000854934692 654389853 /nfs/dbraw/zinc/38/98/53/654389853.db2.gz ZBGDBILTYMPROQ-UHFFFAOYSA-N 1 0 383.246 2.374 20 0 GEADRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc3c(c(Br)c2)OCO3)[nH]1 ZINC000922411026 654390845 /nfs/dbraw/zinc/39/08/45/654390845.db2.gz PHQYNLGDIIUVBD-BXUZGUMPSA-N 1 0 395.257 2.472 20 0 GEADRO COC(=O)c1c2cnn(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)c2ccc1Br ZINC000872785674 654395346 /nfs/dbraw/zinc/39/53/46/654395346.db2.gz HBDGPNLZYDHSOP-PHIMTYICSA-N 1 0 380.242 2.121 20 0 GEADRO C[C@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000893299663 654396067 /nfs/dbraw/zinc/39/60/67/654396067.db2.gz CKBYIXHMTVZGHD-BZPMIXESSA-N 1 0 385.555 2.458 20 0 GEADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000922483962 654396675 /nfs/dbraw/zinc/39/66/75/654396675.db2.gz GESRNNNGOSXLGL-MRXNPFEDSA-N 1 0 381.523 2.204 20 0 GEADRO COc1ccc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)cc1Cl ZINC000922497087 654397966 /nfs/dbraw/zinc/39/79/66/654397966.db2.gz SUDAKNYHPCDNPW-UHFFFAOYSA-N 1 0 377.750 2.463 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cc(Cl)cc(Cl)n2)CC1 ZINC000893426753 654400227 /nfs/dbraw/zinc/40/02/27/654400227.db2.gz HVCLPCDDZMHFPM-UHFFFAOYSA-N 1 0 385.295 2.334 20 0 GEADRO Cn1cc(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)c(I)n1 ZINC000922563730 654401361 /nfs/dbraw/zinc/40/13/61/654401361.db2.gz KTCIGBVHEUHQBP-CQSZACIVSA-N 1 0 389.212 2.161 20 0 GEADRO CO[C@@]1(C[NH2+]C[C@@H](C)c2cccc(Br)c2)CCS(=O)(=O)C1 ZINC000922619335 654404234 /nfs/dbraw/zinc/40/42/34/654404234.db2.gz POKJXFLOFOJQMU-IUODEOHRSA-N 1 0 376.316 2.346 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)nc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893588862 654409384 /nfs/dbraw/zinc/40/93/84/654409384.db2.gz DSIXQAMYKIHSCH-CQSZACIVSA-N 1 0 380.901 2.316 20 0 GEADRO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NCc2ncc(Cl)s2)CC1 ZINC000872999073 654409582 /nfs/dbraw/zinc/40/95/82/654409582.db2.gz VWCVBYZRVVRKHQ-UHFFFAOYSA-N 1 0 384.933 2.280 20 0 GEADRO C[NH+](C)CCOc1ccc(NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc1 ZINC000906066394 654412990 /nfs/dbraw/zinc/41/29/90/654412990.db2.gz JVNOKOBBCIQQJN-HSZRJFAPSA-N 1 0 377.532 2.180 20 0 GEADRO O=S(=O)(N1CCC([NH2+]Cc2nc3cc(F)ccc3o2)CC1)C(F)(F)F ZINC000873074915 654413114 /nfs/dbraw/zinc/41/31/14/654413114.db2.gz MKDMEROPXHDZQW-UHFFFAOYSA-N 1 0 381.351 2.371 20 0 GEADRO Cn1cc([C@@H]2OCC[C@H]2C[NH2+]CC2(n3cc(Br)cn3)CC2)cn1 ZINC000922802390 654414041 /nfs/dbraw/zinc/41/40/41/654414041.db2.gz OEOGSQPFGRLBHQ-SWLSCSKDSA-N 1 0 380.290 2.236 20 0 GEADRO Cn1nc2c(c1C[NH2+]CC1(n3cc(Br)cn3)CC1)CSCC2 ZINC000922802391 654414382 /nfs/dbraw/zinc/41/43/82/654414382.db2.gz OFEDGVXYBNVMFJ-UHFFFAOYSA-N 1 0 382.331 2.447 20 0 GEADRO CSc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1C ZINC000873105668 654415259 /nfs/dbraw/zinc/41/52/59/654415259.db2.gz AKVJDNSBSWYXRP-MNOVXSKESA-N 1 0 375.416 2.251 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000873105608 654415279 /nfs/dbraw/zinc/41/52/79/654415279.db2.gz ZJWSLPHBNDFRAC-GHMZBOCLSA-N 1 0 377.794 2.491 20 0 GEADRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 ZINC000906083278 654415568 /nfs/dbraw/zinc/41/55/68/654415568.db2.gz PWAHOBIMPGWXFH-UHFFFAOYSA-N 1 0 389.315 2.496 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000922828246 654415750 /nfs/dbraw/zinc/41/57/50/654415750.db2.gz ZUHWARHLNNICOD-CYBMUJFWSA-N 1 0 377.384 2.461 20 0 GEADRO CSc1cccc(C)c1NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873107234 654416026 /nfs/dbraw/zinc/41/60/26/654416026.db2.gz MQACDTMFSAYOOM-WDEREUQCSA-N 1 0 375.416 2.251 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccnc(Br)c1 ZINC000855402635 654416752 /nfs/dbraw/zinc/41/67/52/654416752.db2.gz GXKYCLDJYFLSCB-MRXNPFEDSA-N 1 0 390.281 2.341 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)c1cnc(Cl)c(Br)c1 ZINC000855415191 654418155 /nfs/dbraw/zinc/41/81/55/654418155.db2.gz UAOFQEJFFWLQFO-UHFFFAOYSA-N 1 0 377.714 2.111 20 0 GEADRO C[C@H](CCNC(=O)c1cccn2c(I)cnc12)[NH+](C)C ZINC000855415788 654418197 /nfs/dbraw/zinc/41/81/97/654418197.db2.gz OSYPTAURLLSRNX-SNVBAGLBSA-N 1 0 386.237 2.009 20 0 GEADRO CC1CC[NH+](CCNC(=O)c2nscc2I)CC1 ZINC000906169626 654419536 /nfs/dbraw/zinc/41/95/36/654419536.db2.gz XVBVRHTXGKZMHK-UHFFFAOYSA-N 1 0 379.267 2.209 20 0 GEADRO Brc1ccc2ncc(C[NH2+]C[C@@H]3CCN3C3CCOCC3)n2c1 ZINC000922950671 654421667 /nfs/dbraw/zinc/42/16/67/654421667.db2.gz OLVUUTVTSNORTO-HNNXBMFYSA-N 1 0 379.302 2.440 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922951860 654421677 /nfs/dbraw/zinc/42/16/77/654421677.db2.gz BQYIYOBXBRFYKU-MRXNPFEDSA-N 1 0 386.945 2.477 20 0 GEADRO CCNS(=O)(=O)c1ccc2c(c1)N(Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873211930 654422929 /nfs/dbraw/zinc/42/29/29/654422929.db2.gz SUUIDSZOZSLBKE-UHFFFAOYSA-N 1 0 377.535 2.255 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000922992243 654423161 /nfs/dbraw/zinc/42/31/61/654423161.db2.gz VGLYZETUWKTFKZ-UHFFFAOYSA-N 1 0 394.273 2.393 20 0 GEADRO CNC(=O)c1ccc(Cl)c(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873303820 654424119 /nfs/dbraw/zinc/42/41/19/654424119.db2.gz KWRDCFJNPONHOF-UWVGGRQHSA-N 1 0 378.782 2.301 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)C[C@@H]1C(F)(F)F ZINC000873316643 654424368 /nfs/dbraw/zinc/42/43/68/654424368.db2.gz SRXRZTZFATYKBJ-WDSKDSINSA-N 1 0 377.314 2.244 20 0 GEADRO Cc1nc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)ccc1Br ZINC000873320083 654424480 /nfs/dbraw/zinc/42/44/80/654424480.db2.gz RNFOCVXMFDQXKZ-GFCCVEGCSA-N 1 0 383.290 2.433 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000923012139 654424735 /nfs/dbraw/zinc/42/47/35/654424735.db2.gz DYRHIBDEJJPVSP-NSHDSACASA-N 1 0 376.284 2.127 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC[C@@]1(C)C[C@]1(F)Cl)C2 ZINC000923065999 654426306 /nfs/dbraw/zinc/42/63/06/654426306.db2.gz GBDQRTAAORNVBX-NYSIAZPLSA-N 1 0 375.916 2.470 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1cnnn1-c1ccccc1Br)C1CC1 ZINC000906337194 654428143 /nfs/dbraw/zinc/42/81/43/654428143.db2.gz BOBHLWTYBGTYEK-CQSZACIVSA-N 1 0 378.274 2.100 20 0 GEADRO Cn1cc(CN2CCC[N@@H+](C(C)(C)C)CC2)c(I)n1 ZINC000893980409 654435643 /nfs/dbraw/zinc/43/56/43/654435643.db2.gz LAKCXJDBTYXQAR-UHFFFAOYSA-N 1 0 376.286 2.331 20 0 GEADRO CN(Cc1nc(Br)nn1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000893979779 654435848 /nfs/dbraw/zinc/43/58/48/654435848.db2.gz DMYLPQBBFLSEIU-UHFFFAOYSA-N 1 0 393.333 2.112 20 0 GEADRO CCOC(=O)C1([S@@](C)=O)CCN(c2cc[nH+]c(C)c2Br)CC1 ZINC000894031438 654440678 /nfs/dbraw/zinc/44/06/78/654440678.db2.gz CBTWOPPNOISOOT-JOCHJYFZSA-N 1 0 389.315 2.433 20 0 GEADRO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894034153 654441057 /nfs/dbraw/zinc/44/10/57/654441057.db2.gz LEOZXUZXSFNLQM-CFVMTHIKSA-N 1 0 390.343 2.013 20 0 GEADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000894031805 654441074 /nfs/dbraw/zinc/44/10/74/654441074.db2.gz LQRUIMJWLYODEV-GZBFAFLISA-N 1 0 390.343 2.013 20 0 GEADRO Cn1c(SCC(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)nnc1-c1cccs1 ZINC000923293694 654442115 /nfs/dbraw/zinc/44/21/15/654442115.db2.gz WPHCCLDPLDBJON-QWHCGFSZSA-N 1 0 377.539 2.331 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923301558 654442181 /nfs/dbraw/zinc/44/21/81/654442181.db2.gz WMSGMUPPHMBJEN-INIZCTEOSA-N 1 0 384.307 2.130 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)C(F)(F)F)n1 ZINC000923296823 654442245 /nfs/dbraw/zinc/44/22/45/654442245.db2.gz DIVKJHDMXNABAI-YWPYICTPSA-N 1 0 377.432 2.287 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000923314102 654443102 /nfs/dbraw/zinc/44/31/02/654443102.db2.gz DIHDYTVVYBWXBJ-LZWOXQAQSA-N 1 0 393.281 2.226 20 0 GEADRO Cn1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(I)n1 ZINC000894054282 654443204 /nfs/dbraw/zinc/44/32/04/654443204.db2.gz OLZLWEZDVGWFEA-ZDUSSCGKSA-N 1 0 388.297 2.333 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(Cc2c(I)cnn2C)C1 ZINC000894058788 654443554 /nfs/dbraw/zinc/44/35/54/654443554.db2.gz XZPVCSIWQQSAEP-GFCCVEGCSA-N 1 0 376.286 2.188 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894074482 654444642 /nfs/dbraw/zinc/44/46/42/654444642.db2.gz QGQGPUFLUIHBBQ-ZYHUDNBSSA-N 1 0 399.456 2.022 20 0 GEADRO CS(=O)(=O)CCSc1cc(Br)ccc1CNC1CC([NH3+])C1 ZINC000906509912 654445310 /nfs/dbraw/zinc/44/53/10/654445310.db2.gz BREZSKJRYLGFLX-UHFFFAOYSA-N 1 0 393.372 2.165 20 0 GEADRO Cn1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c(I)n1 ZINC000894086957 654445516 /nfs/dbraw/zinc/44/55/16/654445516.db2.gz PBTNRKVWQWDHSY-LBPRGKRZSA-N 1 0 375.254 2.273 20 0 GEADRO O=C(c1nscc1I)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000906522021 654446269 /nfs/dbraw/zinc/44/62/69/654446269.db2.gz DUVMJGZRZQEQSH-VIFPVBQESA-N 1 0 377.251 2.058 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873668049 654446462 /nfs/dbraw/zinc/44/64/62/654446462.db2.gz OMQCCIQDNSJPRV-UHFFFAOYSA-N 1 0 380.247 2.156 20 0 GEADRO Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000923355508 654446517 /nfs/dbraw/zinc/44/65/17/654446517.db2.gz NARBSXGEYYYRKC-SWLSCSKDSA-N 1 0 385.295 2.113 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1nccn2c(Br)cnc12 ZINC000855898755 654447301 /nfs/dbraw/zinc/44/73/01/654447301.db2.gz UOQSSWKEBGLUPK-LBPRGKRZSA-N 1 0 380.290 2.342 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000855898640 654447484 /nfs/dbraw/zinc/44/74/84/654447484.db2.gz RRIGLKHVBYIMGO-CYBMUJFWSA-N 1 0 387.933 2.098 20 0 GEADRO Cn1cc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(Br)n1 ZINC000923400164 654449828 /nfs/dbraw/zinc/44/98/28/654449828.db2.gz KHPNCFZDEHFGHY-AWEZNQCLSA-N 1 0 384.322 2.389 20 0 GEADRO Cn1ncc(I)c1CNC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000894150277 654450124 /nfs/dbraw/zinc/45/01/24/654450124.db2.gz ZBARQRGHBHQRFK-CQSZACIVSA-N 1 0 398.292 2.287 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCc1nnc2ccccn21 ZINC000894151891 654450719 /nfs/dbraw/zinc/45/07/19/654450719.db2.gz DLYKEQXXDJHYSO-UHFFFAOYSA-N 1 0 378.889 2.008 20 0 GEADRO [NH3+]CCN(C[C@@H](O)COc1cc(F)cc(Br)c1)CC(F)(F)F ZINC000923423720 654451731 /nfs/dbraw/zinc/45/17/31/654451731.db2.gz MOABZRWNKKIHQL-LLVKDONJSA-N 1 0 389.187 2.151 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCN1CCc2ccccc2C1 ZINC000894165751 654452393 /nfs/dbraw/zinc/45/23/93/654452393.db2.gz SZUFHPFZXDPQSL-UHFFFAOYSA-N 1 0 396.276 2.173 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000906601862 654452307 /nfs/dbraw/zinc/45/23/07/654452307.db2.gz LQZPKWAJFMTZCC-ZDUSSCGKSA-N 1 0 381.933 2.012 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](OC)c2ccc(Br)s2)C1 ZINC000906597556 654452549 /nfs/dbraw/zinc/45/25/49/654452549.db2.gz NKDAHFASFXBLSW-BXUZGUMPSA-N 1 0 391.331 2.425 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873718356 654453486 /nfs/dbraw/zinc/45/34/86/654453486.db2.gz NZNZGEQNWHBAOE-NSHDSACASA-N 1 0 391.269 2.146 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(CC(=O)Nc1ccccc1Br)CC2 ZINC000923456772 654454044 /nfs/dbraw/zinc/45/40/44/654454044.db2.gz GFLQWCDJICTRMX-ZDUSSCGKSA-N 1 0 382.302 2.217 20 0 GEADRO Cn1nc(Br)nc1CNC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000894192614 654454209 /nfs/dbraw/zinc/45/42/09/654454209.db2.gz GIKWKOKGIRMKRH-UHFFFAOYSA-N 1 0 382.281 2.471 20 0 GEADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)cn(C2CC2)c1=O ZINC000906618568 654454155 /nfs/dbraw/zinc/45/41/55/654454155.db2.gz XRBUYOKFJRRDON-ZDUSSCGKSA-N 1 0 380.286 2.160 20 0 GEADRO COC(=O)c1cc(Br)c(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1OC ZINC000923456400 654454249 /nfs/dbraw/zinc/45/42/49/654454249.db2.gz DVPPHELGQCGXDO-XHDPSFHLSA-N 1 0 383.286 2.428 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1cn(C)nc1I ZINC000894199699 654455310 /nfs/dbraw/zinc/45/53/10/654455310.db2.gz CUFOIIGOWOADLO-NEPJUHHUSA-N 1 0 376.286 2.235 20 0 GEADRO Cc1cc(Br)c(CC(=O)N(C)CCCN2CC[NH+](C)CC2)s1 ZINC000906638776 654456106 /nfs/dbraw/zinc/45/61/06/654456106.db2.gz GWPXZCPQCKUSLR-UHFFFAOYSA-N 1 0 388.375 2.457 20 0 GEADRO FC(F)CN1CCC([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894211213 654456155 /nfs/dbraw/zinc/45/61/55/654456155.db2.gz OWGOZBLHIRVQDC-UHFFFAOYSA-N 1 0 380.892 2.452 20 0 GEADRO FC(F)(F)CN1CC[C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894212194 654456242 /nfs/dbraw/zinc/45/62/42/654456242.db2.gz WZCQWMWUJYLDMG-SNVBAGLBSA-N 1 0 384.855 2.359 20 0 GEADRO Cc1nc(CN2CCC(C[NH2+]Cc3nc(Br)nn3C)CC2)oc1C ZINC000894230726 654457724 /nfs/dbraw/zinc/45/77/24/654457724.db2.gz MRYOPPGLRLMGDF-UHFFFAOYSA-N 1 0 397.321 2.184 20 0 GEADRO Cc1cc(C[NH2+]C2CC(S(C)(=O)=O)C2)ccc1I ZINC000894228020 654457871 /nfs/dbraw/zinc/45/78/71/654457871.db2.gz ZYFRNNWEBMNOGO-UHFFFAOYSA-N 1 0 379.263 2.265 20 0 GEADRO Cn1cc(C[NH2+]CCOc2ccc(F)c(F)c2)c(I)n1 ZINC000894236279 654458317 /nfs/dbraw/zinc/45/83/17/654458317.db2.gz POMUMOMMAQOGRO-UHFFFAOYSA-N 1 0 393.175 2.472 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N2CCC(OCC[NH+](C)C)CC2)n1 ZINC000906667181 654458300 /nfs/dbraw/zinc/45/83/00/654458300.db2.gz URFOPJWDBDXGDS-UHFFFAOYSA-N 1 0 387.322 2.409 20 0 GEADRO CCN(CCC[NH2+]Cc1nc(Br)nn1C)C(=O)OC(C)(C)C ZINC000894236952 654458344 /nfs/dbraw/zinc/45/83/44/654458344.db2.gz FSFXSSPMZIHWRW-UHFFFAOYSA-N 1 0 376.299 2.314 20 0 GEADRO Clc1nccc2cc(C[NH2+][C@@H]3CCN(CCN4CCOCC4)C3)sc21 ZINC000894255704 654459919 /nfs/dbraw/zinc/45/99/19/654459919.db2.gz IBXULFVUOKAMDV-OAHLLOKOSA-N 1 0 380.945 2.446 20 0 GEADRO O=S1(=O)C[C@H]2[C@@H](C1)[NH2+]CCN2Cc1cc(Br)c2ccccc2c1 ZINC000923524181 654460116 /nfs/dbraw/zinc/46/01/16/654460116.db2.gz WCMPOHYVNCCBTJ-SJORKVTESA-N 1 0 395.322 2.173 20 0 GEADRO Cn1cc(C(=O)OCC[N@H+](C)Cc2ccccc2)c(I)n1 ZINC000923524677 654460487 /nfs/dbraw/zinc/46/04/87/654460487.db2.gz IYLCBYBIOTWXQT-UHFFFAOYSA-N 1 0 399.232 2.314 20 0 GEADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000906689366 654460544 /nfs/dbraw/zinc/46/05/44/654460544.db2.gz AGJFBUMDXFFBII-LBPRGKRZSA-N 1 0 375.416 2.325 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000906705823 654462873 /nfs/dbraw/zinc/46/28/73/654462873.db2.gz NADNIJLNUCRFDL-ZDUSSCGKSA-N 1 0 391.269 2.050 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1nscc1I ZINC000906708069 654463427 /nfs/dbraw/zinc/46/34/27/654463427.db2.gz ISZUHQKDJTXQAD-VIFPVBQESA-N 1 0 379.267 2.162 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000906715530 654463940 /nfs/dbraw/zinc/46/39/40/654463940.db2.gz VROILLVERINFDQ-UHFFFAOYSA-N 1 0 396.285 2.045 20 0 GEADRO Cn1cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(I)n1 ZINC000906719573 654464268 /nfs/dbraw/zinc/46/42/68/654464268.db2.gz VCQOHCCSWMABNA-LLVKDONJSA-N 1 0 392.285 2.121 20 0 GEADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cn(C)nc1I ZINC000894318102 654464595 /nfs/dbraw/zinc/46/45/95/654464595.db2.gz YQZPJYVNTYQNEE-UHFFFAOYSA-N 1 0 379.242 2.236 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000923538083 654465079 /nfs/dbraw/zinc/46/50/79/654465079.db2.gz ZNRGHCIAUDDGST-UHFFFAOYSA-N 1 0 382.306 2.399 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(Cl)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906727235 654465055 /nfs/dbraw/zinc/46/50/55/654465055.db2.gz MTUFKOIBLSLQHG-MQOMDTIOSA-N 1 0 390.640 2.189 20 0 GEADRO COC(=O)[C@@H]1[C@H](C[NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)C1(F)F ZINC000894326251 654465477 /nfs/dbraw/zinc/46/54/77/654465477.db2.gz NWGMBGUQTZPDSW-HZMBPMFUSA-N 1 0 376.787 2.321 20 0 GEADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000906739066 654466489 /nfs/dbraw/zinc/46/64/89/654466489.db2.gz LTWFJIWEJZYUKI-LBPRGKRZSA-N 1 0 395.301 2.308 20 0 GEADRO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000906739646 654466507 /nfs/dbraw/zinc/46/65/07/654466507.db2.gz OEGJCKJZRGHOSE-SECBINFHSA-N 1 0 390.228 2.314 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000906741914 654466910 /nfs/dbraw/zinc/46/69/10/654466910.db2.gz NTRMHVIDFRLVMC-CZMCAQCFSA-N 1 0 379.766 2.073 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000894344658 654467121 /nfs/dbraw/zinc/46/71/21/654467121.db2.gz VZYBSIXURWVWKT-GWCFXTLKSA-N 1 0 393.294 2.169 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CN(c3ccnc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000894348676 654467654 /nfs/dbraw/zinc/46/76/54/654467654.db2.gz FJMUTXIOQJXFMM-OAHLLOKOSA-N 1 0 375.270 2.161 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)cc(C)c1Br ZINC000906764604 654469132 /nfs/dbraw/zinc/46/91/32/654469132.db2.gz GJMAASLKGRBPQK-QGZVFWFLSA-N 1 0 380.286 2.359 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)c(F)cc1Br ZINC000906772212 654470684 /nfs/dbraw/zinc/47/06/84/654470684.db2.gz OVIXECAORHWQFJ-MRXNPFEDSA-N 1 0 384.249 2.190 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)c1Br ZINC000906771767 654470698 /nfs/dbraw/zinc/47/06/98/654470698.db2.gz NKOXFLVXEUJLQE-MRXNPFEDSA-N 1 0 384.249 2.190 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c(I)n1 ZINC000894374652 654470914 /nfs/dbraw/zinc/47/09/14/654470914.db2.gz JNKOAQSLHDZUQE-ZDUSSCGKSA-N 1 0 375.254 2.416 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC[C@H]2C[C@]2(C)Br)c1 ZINC000894386063 654472140 /nfs/dbraw/zinc/47/21/40/654472140.db2.gz VDVDVEPBMXWWKN-DOMZBBRYSA-N 1 0 390.347 2.112 20 0 GEADRO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCc2c(F)cc(Br)cc2C1 ZINC000923628429 654472921 /nfs/dbraw/zinc/47/29/21/654472921.db2.gz PFBSQKLYRYNNPY-LBPRGKRZSA-N 1 0 377.279 2.028 20 0 GEADRO O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254564 654473104 /nfs/dbraw/zinc/47/31/04/654473104.db2.gz CLDNPYOIXWPWPI-GFCCVEGCSA-N 1 0 377.794 2.425 20 0 GEADRO CC(C)(C)n1cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)n1 ZINC000856253123 654473144 /nfs/dbraw/zinc/47/31/44/654473144.db2.gz GCQFVZZIQWMKEK-ZDUSSCGKSA-N 1 0 399.333 2.072 20 0 GEADRO O=S(=O)(c1cscc1C(F)F)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923649456 654473278 /nfs/dbraw/zinc/47/32/78/654473278.db2.gz UCKPAPSQXXWNHD-NEPJUHHUSA-N 1 0 378.466 2.075 20 0 GEADRO O=S(=O)(c1occc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923645998 654473417 /nfs/dbraw/zinc/47/34/17/654473417.db2.gz QSSFRUYCWUHVKJ-VXGBXAGGSA-N 1 0 377.304 2.442 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C(F)(F)c1ncccc1Br ZINC000906802085 654473780 /nfs/dbraw/zinc/47/37/80/654473780.db2.gz JXLHTRDROSZUET-UHFFFAOYSA-N 1 0 380.233 2.020 20 0 GEADRO Cn1cc(C[NH2+]C[C@H](O)CCc2ccccc2)c(I)n1 ZINC000894449238 654476427 /nfs/dbraw/zinc/47/64/27/654476427.db2.gz QIIQGPLCBBKIBE-CQSZACIVSA-N 1 0 385.249 2.108 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3cnc(Cl)s3)CC2)CC1 ZINC000923691370 654477615 /nfs/dbraw/zinc/47/76/15/654477615.db2.gz BBWCPBWQQLQROC-UHFFFAOYSA-N 1 0 385.965 2.497 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923696433 654478295 /nfs/dbraw/zinc/47/82/95/654478295.db2.gz BWDWXGYGWFOJTM-NSHDSACASA-N 1 0 377.304 2.126 20 0 GEADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000923697464 654478341 /nfs/dbraw/zinc/47/83/41/654478341.db2.gz QNWWZCDFFCCGMX-UONOGXRCSA-N 1 0 388.917 2.115 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923698228 654478709 /nfs/dbraw/zinc/47/87/09/654478709.db2.gz DWWXCIUUXLHCIB-NWDGAFQWSA-N 1 0 391.331 2.453 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923700678 654479036 /nfs/dbraw/zinc/47/90/36/654479036.db2.gz WLMYGKJUNDMMNY-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CC[C@@H]1C[NH3+] ZINC000923699707 654479013 /nfs/dbraw/zinc/47/90/13/654479013.db2.gz NHWAATSVQVHUKN-RKDXNWHRSA-N 1 0 382.711 2.103 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906847746 654479296 /nfs/dbraw/zinc/47/92/96/654479296.db2.gz PNKVDQYRMDWZOK-LBPRGKRZSA-N 1 0 382.302 2.360 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000894481055 654479494 /nfs/dbraw/zinc/47/94/94/654479494.db2.gz MOGQPPNKIXIOLH-GXFFZTMASA-N 1 0 390.299 2.149 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1Cl ZINC000923703294 654479644 /nfs/dbraw/zinc/47/96/44/654479644.db2.gz OKMFOPAOTUOTAP-WCBMZHEXSA-N 1 0 380.919 2.102 20 0 GEADRO O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923704590 654479712 /nfs/dbraw/zinc/47/97/12/654479712.db2.gz XYSKJDGTGSZIRT-LLVKDONJSA-N 1 0 380.436 2.219 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000923704101 654479719 /nfs/dbraw/zinc/47/97/19/654479719.db2.gz RMPVEDYHDSPGSK-ZYHUDNBSSA-N 1 0 389.315 2.257 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873901209 654479807 /nfs/dbraw/zinc/47/98/07/654479807.db2.gz XYMNTXHFRJGGNS-LLVKDONJSA-N 1 0 392.258 2.034 20 0 GEADRO O=S(=O)(c1cc(Br)ccc1Cl)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923712264 654480393 /nfs/dbraw/zinc/48/03/93/654480393.db2.gz HMBGDWJEHJMGSJ-VHSXEESVSA-N 1 0 379.707 2.333 20 0 GEADRO COc1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cnc1Br ZINC000856429609 654480885 /nfs/dbraw/zinc/48/08/85/654480885.db2.gz HMDSJNUYWQGTNL-CYBMUJFWSA-N 1 0 386.290 2.036 20 0 GEADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000906871743 654481384 /nfs/dbraw/zinc/48/13/84/654481384.db2.gz ZVTGPMUHQGZONG-CYBMUJFWSA-N 1 0 387.735 2.211 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1F ZINC000923733416 654481449 /nfs/dbraw/zinc/48/14/49/654481449.db2.gz ALUFYHGFHVGTHA-INIZCTEOSA-N 1 0 390.864 2.172 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cnc3ccccc3c2Br)CC1 ZINC000873921829 654482739 /nfs/dbraw/zinc/48/27/39/654482739.db2.gz NGSYJCYWZDLJHW-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000906903408 654484949 /nfs/dbraw/zinc/48/49/49/654484949.db2.gz WVLLWZSJYSBTDJ-AWEZNQCLSA-N 1 0 375.336 2.394 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000906918064 654487454 /nfs/dbraw/zinc/48/74/54/654487454.db2.gz NSPYGZHYSUOKIH-CYBMUJFWSA-N 1 0 385.306 2.021 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]Cc2nc(Br)nn2C)CCN1C(=O)OC(C)(C)C ZINC000894581486 654488314 /nfs/dbraw/zinc/48/83/14/654488314.db2.gz LZXYNKINAPAOBZ-MNOVXSKESA-N 1 0 388.310 2.455 20 0 GEADRO C[C@H]1C[C@H]([NH2+]Cc2nc(Br)nn2C)CCN1C(=O)OC(C)(C)C ZINC000894581489 654488379 /nfs/dbraw/zinc/48/83/79/654488379.db2.gz LZXYNKINAPAOBZ-WDEREUQCSA-N 1 0 388.310 2.455 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000894624228 654491189 /nfs/dbraw/zinc/49/11/89/654491189.db2.gz UQQMTTNFWXTXOB-HNNXBMFYSA-N 1 0 398.301 2.029 20 0 GEADRO Cn1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c(Cl)n1 ZINC000856784057 654494529 /nfs/dbraw/zinc/49/45/29/654494529.db2.gz OVYRVYFFUBWPGJ-UHFFFAOYSA-N 1 0 377.297 2.185 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccn2ncc(Br)c12 ZINC000906995952 654497427 /nfs/dbraw/zinc/49/74/27/654497427.db2.gz AWQYQIAPNLYPNS-ZDUSSCGKSA-N 1 0 393.285 2.080 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)C1 ZINC000906997631 654497558 /nfs/dbraw/zinc/49/75/58/654497558.db2.gz HACJWAMDKYGZKD-LLVKDONJSA-N 1 0 378.878 2.072 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CCS(=O)CC1 ZINC000894766981 654497874 /nfs/dbraw/zinc/49/78/74/654497874.db2.gz YDWMWEREAHDLSH-MXNNAXBNSA-N 1 0 390.343 2.109 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(Cc1nc(Br)nn1C)Cc1ccncc1 ZINC000894767451 654497913 /nfs/dbraw/zinc/49/79/13/654497913.db2.gz ZFEDBEADFMGSPI-HNNXBMFYSA-N 1 0 393.333 2.459 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC000894803375 654500238 /nfs/dbraw/zinc/50/02/38/654500238.db2.gz XAVVXPPWARMHFX-HZPDHXFCSA-N 1 0 383.290 2.194 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000894861995 654502660 /nfs/dbraw/zinc/50/26/60/654502660.db2.gz QWUVWJXGOYEDTR-GFCCVEGCSA-N 1 0 377.270 2.303 20 0 GEADRO C[NH+]1CCC(CNCc2csc(C(F)(F)F)n2)(N2CCOCC2)CC1 ZINC000894892977 654504312 /nfs/dbraw/zinc/50/43/12/654504312.db2.gz AZLSLBJGFKTDGR-UHFFFAOYSA-N 1 0 378.464 2.048 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000894917942 654505429 /nfs/dbraw/zinc/50/54/29/654505429.db2.gz 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GEADRO Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1S(C)(=O)=O ZINC000926080113 654558152 /nfs/dbraw/zinc/55/81/52/654558152.db2.gz OOQRWQXWPQDXJR-NWDGAFQWSA-N 1 0 379.404 2.142 20 0 GEADRO Cc1ccc(NC(=O)NCCCCCN2CC[NH2+]CC2)c(Br)n1 ZINC000926077380 654558172 /nfs/dbraw/zinc/55/81/72/654558172.db2.gz JDIKWUZUDJCFJP-UHFFFAOYSA-N 1 0 384.322 2.350 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)Cc3ccsc3Br)C[C@]2(C)C1 ZINC000907564337 654558479 /nfs/dbraw/zinc/55/84/79/654558479.db2.gz NZKRRIZHXPTEFH-YPMHNXCESA-N 1 0 379.345 2.224 20 0 GEADRO Cc1nccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1Br ZINC000926096160 654558936 /nfs/dbraw/zinc/55/89/36/654558936.db2.gz OSZKBLSAXZMUJJ-RKDXNWHRSA-N 1 0 381.196 2.318 20 0 GEADRO COC(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc(Br)c1F ZINC000926108051 654559277 /nfs/dbraw/zinc/55/92/77/654559277.db2.gz XCEZAGQMYJYKFM-BDAKNGLRSA-N 1 0 388.237 2.352 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c1Br ZINC000926116163 654559512 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390.269 2.065 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)c1ccc(Br)cc1 ZINC000928452609 654647939 /nfs/dbraw/zinc/64/79/39/654647939.db2.gz NFLYKAMKXBYRJE-KNXALSJPSA-N 1 0 382.302 2.225 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000928456015 654648284 /nfs/dbraw/zinc/64/82/84/654648284.db2.gz JTDVJHXFZIIXOT-WBMJQRKESA-N 1 0 387.933 2.193 20 0 GEADRO COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000909113674 654653064 /nfs/dbraw/zinc/65/30/64/654653064.db2.gz PHUNBEKIPVEHJO-UHFFFAOYSA-N 1 0 397.321 2.213 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)CCn1cc(Br)cn1)c1cccnc1 ZINC000928837359 654661906 /nfs/dbraw/zinc/66/19/06/654661906.db2.gz UWCNYZTXLHWSDI-OAHLLOKOSA-N 1 0 380.290 2.240 20 0 GEADRO Cn1cc(Br)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1=O ZINC000929525839 654686600 /nfs/dbraw/zinc/68/66/00/654686600.db2.gz KVPSFNKTRFFFJE-AWEZNQCLSA-N 1 0 390.281 2.152 20 0 GEADRO CC[N@H+](CCOc1ccc(Br)cc1)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929716469 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380.286 2.295 20 0 GEADRO C[NH+](C)CC1(O)CCN(CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000931481521 654743427 /nfs/dbraw/zinc/74/34/27/654743427.db2.gz OMAUAOCPFUAFSY-UHFFFAOYSA-N 1 0 380.539 2.199 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)N2CCC(O)(C[NH+](C)C)CC2)c(Br)c1 ZINC000931485826 654743540 /nfs/dbraw/zinc/74/35/40/654743540.db2.gz GXCAPTBIBSWHKY-CQSZACIVSA-N 1 0 398.345 2.473 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931483576 654743578 /nfs/dbraw/zinc/74/35/78/654743578.db2.gz IQCDANUYRXPAHA-UHFFFAOYSA-N 1 0 384.318 2.085 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CCC(O)(C[NH+](C)C)CC2)c(Br)c1 ZINC000931485825 654743634 /nfs/dbraw/zinc/74/36/34/654743634.db2.gz GXCAPTBIBSWHKY-AWEZNQCLSA-N 1 0 398.345 2.473 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]([NH3+])CC(C)C)s1 ZINC000912168307 654744595 /nfs/dbraw/zinc/74/45/95/654744595.db2.gz GCJGBDYEKGRDEK-ZDUSSCGKSA-N 1 0 375.560 2.158 20 0 GEADRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000912168666 654744621 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CCCOc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@H]23)cc1Cl ZINC000912334428 654750203 /nfs/dbraw/zinc/75/02/03/654750203.db2.gz XODKJMQBDSYXSX-AXAPSJFSSA-N 1 0 386.901 2.090 20 0 GEADRO COC1(OC)CCOC[C@H]1[NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000931670686 654752152 /nfs/dbraw/zinc/75/21/52/654752152.db2.gz NJAGQOQRKMYPMJ-QKFKETGDSA-N 1 0 382.309 2.469 20 0 GEADRO CC(C)N(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC000912413023 654752987 /nfs/dbraw/zinc/75/29/87/654752987.db2.gz KKOJWGQUZDQFRN-DJIMGWMZSA-N 1 0 384.929 2.100 20 0 GEADRO COc1ccc(Br)cc1[C@H](N)C(=O)NCc1c(C)nn(C)c1C ZINC000912439859 654754145 /nfs/dbraw/zinc/75/41/45/654754145.db2.gz YQDSIGLVVNUANY-HNNXBMFYSA-N 1 0 381.274 2.124 20 0 GEADRO CCCOc1ccc(Cl)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC000912449553 654754409 /nfs/dbraw/zinc/75/44/09/654754409.db2.gz PZMXTOJLNAJLTO-PVXIVEMSSA-N 1 0 386.901 2.090 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000931724709 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C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc(I)cc3F)C[C@H]2C1 ZINC000931913182 654761609 /nfs/dbraw/zinc/76/16/09/654761609.db2.gz CFSBOIKQTVPQON-AOOOYVTPSA-N 1 0 389.212 2.456 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932001907 654763781 /nfs/dbraw/zinc/76/37/81/654763781.db2.gz RWNOEUMQIGHFCK-RISCZKNCSA-N 1 0 390.249 2.023 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932007744 654763796 /nfs/dbraw/zinc/76/37/96/654763796.db2.gz FWNNIRBQCHUKHR-HIFRSBDPSA-N 1 0 397.313 2.491 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1nc(Br)c2ccccn21 ZINC000932033500 654764839 /nfs/dbraw/zinc/76/48/39/654764839.db2.gz BOWHWJICJMDNAS-CYBMUJFWSA-N 1 0 395.301 2.280 20 0 GEADRO Cc1cc(OC[C@H](O)C[NH2+][C@H]2CCS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000912761065 654766681 /nfs/dbraw/zinc/76/66/81/654766681.db2.gz JSUXZWVVGJQUJW-UONOGXRCSA-N 1 0 375.918 2.288 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932207563 654770156 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Cc1c(Br)cncc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000934247639 654839596 /nfs/dbraw/zinc/83/95/96/654839596.db2.gz LCPDBDHSXFYDPZ-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO COc1cc(Br)c(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1OC ZINC000934254050 654839965 /nfs/dbraw/zinc/83/99/65/654839965.db2.gz HQMJEXOSJDZLBO-HZPDHXFCSA-N 1 0 399.329 2.497 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000934263962 654841252 /nfs/dbraw/zinc/84/12/52/654841252.db2.gz KWXQVIYZXBUYGH-NSHDSACASA-N 1 0 385.306 2.461 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000934263927 654841267 /nfs/dbraw/zinc/84/12/67/654841267.db2.gz KRKICZFUDSXCEU-LLVKDONJSA-N 1 0 385.306 2.461 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000934272300 654842472 /nfs/dbraw/zinc/84/24/72/654842472.db2.gz KLGCXJAORSUMNC-ZDUSSCGKSA-N 1 0 383.290 2.215 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000934279048 654842889 /nfs/dbraw/zinc/84/28/89/654842889.db2.gz UYQIOFFSJCCOIS-CQSZACIVSA-N 1 0 396.333 2.396 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000914336863 654846473 /nfs/dbraw/zinc/84/64/73/654846473.db2.gz GLSWCIFAPMRWHE-ZDUSSCGKSA-N 1 0 384.322 2.166 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)Nc2c(Br)cnn2C2CC2)CC1 ZINC000934377487 654848190 /nfs/dbraw/zinc/84/81/90/654848190.db2.gz JYKQQBFGERTACJ-UHFFFAOYSA-N 1 0 399.337 2.128 20 0 GEADRO O=C(C[NH2+][C@H]1CCOC12CCOCC2)Nc1ccc(Br)cc1F ZINC000934407178 654849139 /nfs/dbraw/zinc/84/91/39/654849139.db2.gz XQOVSWUDXVCCFH-AWEZNQCLSA-N 1 0 387.249 2.454 20 0 GEADRO CN(Cc1ccco1)C(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934497219 654851222 /nfs/dbraw/zinc/85/12/22/654851222.db2.gz IAHIBWZTJAGDIE-KRWDZBQOSA-N 1 0 381.270 2.498 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000934578155 654853638 /nfs/dbraw/zinc/85/36/38/654853638.db2.gz SJLHWSPHFKOHSR-FUEDEBDSSA-N 1 0 392.297 2.474 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C(C)(C)CSC ZINC000934669239 654855107 /nfs/dbraw/zinc/85/51/07/654855107.db2.gz HKBGFHZFIVMHPZ-UHFFFAOYSA-N 1 0 393.596 2.375 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccnc(Cl)c2Cl)CC1 ZINC000915062863 654862091 /nfs/dbraw/zinc/86/20/91/654862091.db2.gz OXBMRBLIZVHGJL-UHFFFAOYSA-N 1 0 385.295 2.334 20 0 GEADRO CCC1([NH+]2CCCCC2)CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000915153591 654864021 /nfs/dbraw/zinc/86/40/21/654864021.db2.gz OQIXWXVIQATZIU-INIZCTEOSA-N 1 0 388.599 2.164 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H](C)C[NH+]1CCCCC1 ZINC000915228494 654865907 /nfs/dbraw/zinc/86/59/07/654865907.db2.gz XPEXDHWCALLUBL-DZGCQCFKSA-N 1 0 388.965 2.169 20 0 GEADRO Cc1cc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cnc1Br ZINC000935147935 654878630 /nfs/dbraw/zinc/87/86/30/654878630.db2.gz SJVPNSIHTIZLNR-UHFFFAOYSA-N 1 0 393.285 2.418 20 0 GEADRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)oc1Br ZINC000935157543 654879063 /nfs/dbraw/zinc/87/90/63/654879063.db2.gz SWUPGVJNHSWKDS-KBPBESRZSA-N 1 0 384.318 2.449 20 0 GEADRO O=C(OCC[NH+]1CCCCC1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000915806375 654879411 /nfs/dbraw/zinc/87/94/11/654879411.db2.gz BERUVRFXEYFDPW-HNNXBMFYSA-N 1 0 386.539 2.320 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(=O)[nH]cc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000935367388 654889920 /nfs/dbraw/zinc/88/99/20/654889920.db2.gz LJWPINLOCLVELM-QWHCGFSZSA-N 1 0 386.315 2.202 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935481458 654896169 /nfs/dbraw/zinc/89/61/69/654896169.db2.gz PYNHFWYVYAQUNL-BPLDGKMQSA-N 1 0 380.286 2.474 20 0 GEADRO C[NH+](C)C1(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CCC1 ZINC000935548451 654899660 /nfs/dbraw/zinc/89/96/60/654899660.db2.gz LHJOXLSXRHVLMZ-LBPRGKRZSA-N 1 0 380.286 2.475 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)cnc2C2CC2)C1 ZINC000935681784 654910555 /nfs/dbraw/zinc/91/05/55/654910555.db2.gz WNSUEGSWNCSRKE-QGZVFWFLSA-N 1 0 382.302 2.250 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)c2nccnc2c1 ZINC000935781053 654916375 /nfs/dbraw/zinc/91/63/75/654916375.db2.gz WBMLITUSJNEMBN-ZDUSSCGKSA-N 1 0 395.301 2.215 20 0 GEADRO CC(C)(C)[NH2+]CCC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000935811244 654918103 /nfs/dbraw/zinc/91/81/03/654918103.db2.gz ASSJKNSRLPADNQ-UHFFFAOYSA-N 1 0 385.306 2.397 20 0 GEADRO C[NH+](C)C1CC(NC(=O)c2cc(Br)cnc2Br)C1 ZINC000935827833 654919712 /nfs/dbraw/zinc/91/97/12/654919712.db2.gz LRJMBVWHKDLBAG-UHFFFAOYSA-N 1 0 377.080 2.429 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Br)cnc1C1CC1 ZINC000935916826 654926937 /nfs/dbraw/zinc/92/69/37/654926937.db2.gz ZGTNHSHBXKMTTN-AWEZNQCLSA-N 1 0 382.302 2.298 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(=O)n(C)cc1Br ZINC000935942470 654929145 /nfs/dbraw/zinc/92/91/45/654929145.db2.gz NYHLQKXTAYUZNJ-UHFFFAOYSA-N 1 0 384.318 2.486 20 0 GEADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(C=O)sc2Cl)CC1 ZINC000935952602 654929845 /nfs/dbraw/zinc/92/98/45/654929845.db2.gz JFWPHAGPIGLMTG-UHFFFAOYSA-N 1 0 388.917 2.413 20 0 GEADRO O=C(c1nccc2c(Br)cccc21)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000935982167 654931767 /nfs/dbraw/zinc/93/17/67/654931767.db2.gz BREKJBWZZDJHDI-STQMWFEESA-N 1 0 390.281 2.278 20 0 GEADRO O=C(c1cc(Br)cnc1C1CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000935982743 654931829 /nfs/dbraw/zinc/93/18/29/654931829.db2.gz FKYFDGYJTFVKMB-KGLIPLIRSA-N 1 0 380.286 2.003 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc2c(Br)cnn2c1 ZINC000936009463 654933674 /nfs/dbraw/zinc/93/36/74/654933674.db2.gz JCNAKWLVQNSGFR-UHFFFAOYSA-N 1 0 396.333 2.052 20 0 GEADRO CSC1(CNC(=O)c2cc(Br)cn3ncnc23)CC[NH+](C)CC1 ZINC000936043096 654934653 /nfs/dbraw/zinc/93/46/53/654934653.db2.gz ZXLSUAAONIBYST-UHFFFAOYSA-N 1 0 398.330 2.049 20 0 GEADRO COCCCN(C(=O)c1cc(=O)[nH]cc1Br)C1CC[NH+](C)CC1 ZINC000936050404 654935360 /nfs/dbraw/zinc/93/53/60/654935360.db2.gz XRLIGSIWADSNRA-UHFFFAOYSA-N 1 0 386.290 2.123 20 0 GEADRO CS[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC000997209957 654949761 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C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001164640771 719179859 /nfs/dbraw/zinc/17/98/59/719179859.db2.gz VZGXIAMMZUAFMZ-HUUCEWRRSA-N 1 0 385.493 2.197 20 0 GEADRO CCOC(=O)c1cc(F)cnc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164686316 719609469 /nfs/dbraw/zinc/60/94/69/719609469.db2.gz ZZYXGOLLTGRJAT-UHFFFAOYSA-N 1 0 375.448 2.069 20 0 GEADRO CC(C)N(C)Cc1nn(C(F)(F)Oc2cnc(Cl)cn2)c2c1CC[NH2+]C2 ZINC001164684533 719652364 /nfs/dbraw/zinc/65/23/64/719652364.db2.gz XTBAWCFTGJDYHZ-UHFFFAOYSA-N 1 0 386.834 2.398 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)Oc1ccc(Cl)nc1)CC2 ZINC001164685061 719711235 /nfs/dbraw/zinc/71/12/35/719711235.db2.gz QKRUCMJVINLQKW-UHFFFAOYSA-N 1 0 388.846 2.341 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164689641 719745051 /nfs/dbraw/zinc/74/50/51/719745051.db2.gz JSIFPVNOORPFKF-UHFFFAOYSA-N 1 0 395.507 2.333 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(-c3nc(C(C)C)no3)ccn1)CC2 ZINC001164689555 719748169 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720291047 /nfs/dbraw/zinc/29/10/47/720291047.db2.gz NWRVQBAOLAAHPR-CVEARBPZSA-N 1 0 375.542 2.110 20 0 GEADRO CSc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164826022 720301209 /nfs/dbraw/zinc/30/12/09/720301209.db2.gz UZULXEGHEKSXIW-JKSUJKDBSA-N 1 0 375.542 2.110 20 0 GEADRO CSc1ccnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820481 720301386 /nfs/dbraw/zinc/30/13/86/720301386.db2.gz HDMCRTDJBCOHLN-JKSUJKDBSA-N 1 0 375.542 2.110 20 0 GEADRO Cc1nnc(Cl)cc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828221 720304346 /nfs/dbraw/zinc/30/43/46/720304346.db2.gz ZCQLZBHRWLHWRZ-JKSUJKDBSA-N 1 0 377.920 2.350 20 0 GEADRO COc1cnnc(Cl)c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831386 720317056 /nfs/dbraw/zinc/31/70/56/720317056.db2.gz RREJPFKVDPLDJI-LSDHHAIUSA-N 1 0 393.919 2.050 20 0 GEADRO COc1cnnc(Cl)c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831383 720317169 /nfs/dbraw/zinc/31/71/69/720317169.db2.gz RREJPFKVDPLDJI-CABCVRRESA-N 1 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COc1ncc(Cl)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164830155 720349491 /nfs/dbraw/zinc/34/94/91/720349491.db2.gz VJPWIHCLNLTCLA-CVEARBPZSA-N 1 0 393.919 2.050 20 0 GEADRO COc1nc(C)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164829274 720349894 /nfs/dbraw/zinc/34/98/94/720349894.db2.gz RAROGWLNQPGZJH-MSOLQXFVSA-N 1 0 387.528 2.014 20 0 GEADRO CCc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(N2CCOCC2)n1 ZINC001164733970 720409252 /nfs/dbraw/zinc/40/92/52/720409252.db2.gz RCRYMGNMYZMDRG-UXHICEINSA-N 1 0 394.523 2.124 20 0 GEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc(N)n3)CC[C@@H]21 ZINC001164834652 720503867 /nfs/dbraw/zinc/50/38/67/720503867.db2.gz GYGRHUFPDYLKII-KKUMJFAQSA-N 1 0 375.908 2.287 20 0 GEADRO CCOC(=O)c1nc2ccccc2c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164727755 720507319 /nfs/dbraw/zinc/50/73/19/720507319.db2.gz DCFDOTSCQUAQAF-HNNXBMFYSA-N 1 0 394.479 2.201 20 0 GEADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2CSCC3)C1 ZINC001164731371 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C[NH+]1CCN(c2ccc(N3C[C@H]4CCC[C@]4(COc4ccccn4)C3)nn2)CC1 ZINC001164794985 721505254 /nfs/dbraw/zinc/50/52/54/721505254.db2.gz GTDGYFGGPLZNKY-XMSQKQJNSA-N 1 0 394.523 2.309 20 0 GEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(Cl)cc2Cl)CC3)CC1 ZINC001164795556 721508937 /nfs/dbraw/zinc/50/89/37/721508937.db2.gz LGQCEXWJQYZRDG-UHFFFAOYSA-N 1 0 381.311 2.353 20 0 GEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc4cccc(Cl)c4n2)CC3)CC1 ZINC001164794102 721510738 /nfs/dbraw/zinc/51/07/38/721510738.db2.gz FUIQKTDCPJPGPM-UHFFFAOYSA-N 1 0 397.914 2.247 20 0 GEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4c2CCC4)CC3)CC1 ZINC001164794251 721511202 /nfs/dbraw/zinc/51/12/02/721511202.db2.gz MDPIWYRHIWLLOH-UHFFFAOYSA-N 1 0 386.931 2.188 20 0 GEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc4ccc(Cl)cc4n2)CC3)CC1 ZINC001164794744 721512763 /nfs/dbraw/zinc/51/27/63/721512763.db2.gz VEBKZINLNDIELR-UHFFFAOYSA-N 1 0 397.914 2.247 20 0 GEADRO NC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164896289 721513429 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390.846 2.315 20 0 GEADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4[nH+][n-]c(Cl)c5ncnc4-5)CC[N@@H+]3C2)c1 ZINC001164906337 721543193 /nfs/dbraw/zinc/54/31/93/721543193.db2.gz JYFQLENLHKESOA-GXTWGEPZSA-N 1 0 388.834 2.487 20 0 GEADRO C[N@H+](Cc1ccc(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)nc1)C1CC1 ZINC001164901857 721580334 /nfs/dbraw/zinc/58/03/34/721580334.db2.gz BSDKHWLTTVIXFJ-QFIPXVFZSA-N 1 0 394.523 2.342 20 0 GEADRO Cn1cnc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164904181 721691502 /nfs/dbraw/zinc/69/15/02/721691502.db2.gz DOAJJSTZHAZOST-LJQANCHMSA-N 1 0 399.449 2.496 20 0 GEADRO COc1ccc2ncnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1 ZINC001165011907 721732994 /nfs/dbraw/zinc/73/29/94/721732994.db2.gz XBKIEYKWRGYFNZ-UHFFFAOYSA-N 1 0 383.496 2.161 20 0 GEADRO COc1nnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c2ccccc21 ZINC001165010266 721744398 /nfs/dbraw/zinc/74/43/98/721744398.db2.gz LCCJVJOWNRWMIG-UHFFFAOYSA-N 1 0 383.496 2.161 20 0 GEADRO COc1ccc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c(C)nc2c1 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ZINC001164960475 722052426 /nfs/dbraw/zinc/05/24/26/722052426.db2.gz OTYOGXHIDMMRFV-UHFFFAOYSA-N 1 0 382.512 2.057 20 0 GEADRO CN(C)c1nccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964012 722054738 /nfs/dbraw/zinc/05/47/38/722054738.db2.gz QWFCBMYMNLJUKQ-UHFFFAOYSA-N 1 0 382.512 2.057 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(c4cnn(C)c4)C(=O)[C@@H]3C2)nc1 ZINC001164980145 722095959 /nfs/dbraw/zinc/09/59/59/722095959.db2.gz LOBVRTOODJVVGT-MISYRCLQSA-N 1 0 394.523 2.461 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)nc1 ZINC001164980147 722096068 /nfs/dbraw/zinc/09/60/68/722096068.db2.gz LOBVRTOODJVVGT-YZGWKJHDSA-N 1 0 394.523 2.461 20 0 GEADRO COC(=O)c1ccc(C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983410 722103477 /nfs/dbraw/zinc/10/34/77/722103477.db2.gz PZCWWHVJCCOVTF-AZUAARDMSA-N 1 0 396.491 2.299 20 0 GEADRO Cc1nc2[nH]ccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982840 722106324 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/nfs/dbraw/zinc/88/69/76/531886976.db2.gz RFCHAPVAANFHKG-UHFFFAOYSA-N 1 0 390.285 2.390 20 0 GEADRO O=C(CSc1nncn1-c1cccc(Cl)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000067702842 531887408 /nfs/dbraw/zinc/88/74/08/531887408.db2.gz SUSMJHNBHYSECG-CYBMUJFWSA-N 1 0 377.901 2.366 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170736818 531889357 /nfs/dbraw/zinc/88/93/57/531889357.db2.gz QZOSTHSXLGJWFE-ZDUSSCGKSA-N 1 0 375.897 2.326 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2c(Br)cccc2C1 ZINC000171750417 531914364 /nfs/dbraw/zinc/91/43/64/531914364.db2.gz HEZFOWBZJFZMDD-AWEZNQCLSA-N 1 0 395.345 2.153 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)Cc1ccc(Br)s1 ZINC000171749790 531913961 /nfs/dbraw/zinc/91/39/61/531913961.db2.gz IRHXMJOYDNDXHO-LBPRGKRZSA-N 1 0 389.363 2.288 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171242498 531900210 /nfs/dbraw/zinc/90/02/10/531900210.db2.gz RCBGWCKQEZRHNA-ZDUSSCGKSA-N 1 0 386.901 2.360 20 0 GEADRO CCn1cc(Br)cc1C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000171282070 531903129 /nfs/dbraw/zinc/90/31/29/531903129.db2.gz CNBOXFAVVIQAID-AWEZNQCLSA-N 1 0 385.350 2.274 20 0 GEADRO CC[NH+]1CCN(CC(=O)Nc2ccc(I)cc2C)CC1 ZINC000068301859 531903558 /nfs/dbraw/zinc/90/35/58/531903558.db2.gz XGUUQCCUGUKYNK-UHFFFAOYSA-N 1 0 387.265 2.176 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000074617134 531918521 /nfs/dbraw/zinc/91/85/21/531918521.db2.gz TVSHBMXXWSOELG-ZDUSSCGKSA-N 1 0 375.922 2.453 20 0 GEADRO CC(C)[NH+](CCCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(C)C ZINC000074828799 531918796 /nfs/dbraw/zinc/91/87/96/531918796.db2.gz QVGRUUYZQVFFGK-UHFFFAOYSA-N 1 0 375.922 2.226 20 0 GEADRO COc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1OC ZINC000171841968 531920521 /nfs/dbraw/zinc/92/05/21/531920521.db2.gz BHPADMYTANJWLT-UHFFFAOYSA-N 1 0 378.441 2.058 20 0 GEADRO CCc1nc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)s1 ZINC000089595539 531924090 /nfs/dbraw/zinc/92/40/90/531924090.db2.gz CFPNGCSBPWIRFB-OCCSQVGLSA-N 1 0 375.560 2.153 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1 ZINC000089628650 531924217 /nfs/dbraw/zinc/92/42/17/531924217.db2.gz NRJHKNAWTDOVIE-CYBMUJFWSA-N 1 0 376.544 2.312 20 0 GEADRO CCc1nc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)s1 ZINC000089595542 531924641 /nfs/dbraw/zinc/92/46/41/531924641.db2.gz CFPNGCSBPWIRFB-TZMCWYRMSA-N 1 0 375.560 2.153 20 0 GEADRO O=C(NCc1sccc1Br)NCC1CC[NH+](CCO)CC1 ZINC000171905410 531924833 /nfs/dbraw/zinc/92/48/33/531924833.db2.gz UGSQDHYUZOHLLN-UHFFFAOYSA-N 1 0 376.320 2.014 20 0 GEADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)n1cncn1 ZINC000171944942 531925016 /nfs/dbraw/zinc/92/50/16/531925016.db2.gz ZWWREGOKPOZBBL-ZDUSSCGKSA-N 1 0 380.290 2.192 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1nnc(SCc2ccccc2)s1 ZINC000626208186 531928898 /nfs/dbraw/zinc/92/88/98/531928898.db2.gz YDOFMBMJVOGWDB-CYBMUJFWSA-N 1 0 379.511 2.019 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000093990641 531929345 /nfs/dbraw/zinc/92/93/45/531929345.db2.gz LRQNPUFXNHTPJC-VHDGCEQUSA-N 1 0 394.313 2.401 20 0 GEADRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000093988890 531930070 /nfs/dbraw/zinc/93/00/70/531930070.db2.gz DINZJDLIJBNKQC-OLZOCXBDSA-N 1 0 378.274 2.242 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000172029675 531930829 /nfs/dbraw/zinc/93/08/29/531930829.db2.gz FCQPAMYZIRDGTL-ZIAGYGMSSA-N 1 0 394.313 2.212 20 0 GEADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000172066503 531933527 /nfs/dbraw/zinc/93/35/27/531933527.db2.gz KXHGSOPVICUMBY-LBPRGKRZSA-N 1 0 394.278 2.006 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000626509859 531934304 /nfs/dbraw/zinc/93/43/04/531934304.db2.gz ZSGKPGMLMJKOSN-VIFPVBQESA-N 1 0 385.852 2.186 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1nnc(SCc2ccccc2)s1 ZINC000626208187 531928612 /nfs/dbraw/zinc/92/86/12/531928612.db2.gz YDOFMBMJVOGWDB-ZDUSSCGKSA-N 1 0 379.511 2.019 20 0 GEADRO O=C(CCc1cc(Br)cs1)NCCC[NH+]1CCC(O)CC1 ZINC000172344795 531947338 /nfs/dbraw/zinc/94/73/38/531947338.db2.gz MYWKTLIPJCXQMO-UHFFFAOYSA-N 1 0 375.332 2.406 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119319325 531965953 /nfs/dbraw/zinc/96/59/53/531965953.db2.gz SPRQSUZOXWUKBW-SWLSCSKDSA-N 1 0 382.302 2.495 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000119430073 531968092 /nfs/dbraw/zinc/96/80/92/531968092.db2.gz LRMPVZOQLPIMBM-FZMZJTMJSA-N 1 0 398.301 2.195 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000119439262 531968730 /nfs/dbraw/zinc/96/87/30/531968730.db2.gz RLKCOTTYBUNULF-YGRLFVJLSA-N 1 0 386.265 2.325 20 0 GEADRO CN1CCC(CNC(=O)c2cc(Br)c[nH]2)([NH+]2CCCCC2)CC1 ZINC000172849829 531968809 /nfs/dbraw/zinc/96/88/09/531968809.db2.gz UWIJUHYHZRNCDA-UHFFFAOYSA-N 1 0 383.334 2.457 20 0 GEADRO NC(=O)C1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCOCC1 ZINC000119507703 531971710 /nfs/dbraw/zinc/97/17/10/531971710.db2.gz HDGHCZYGRCQEKF-UHFFFAOYSA-N 1 0 393.285 2.211 20 0 GEADRO CN(CC(C)(C)C[NH+]1CCOCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000120613997 531986815 /nfs/dbraw/zinc/98/68/15/531986815.db2.gz JQTYTQQJWSNKPH-INIZCTEOSA-N 1 0 398.345 2.266 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000173247126 531997426 /nfs/dbraw/zinc/99/74/26/531997426.db2.gz QPLLPROLGZXSAC-FZMZJTMJSA-N 1 0 391.331 2.418 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000173247113 531998312 /nfs/dbraw/zinc/99/83/12/531998312.db2.gz QPLLPROLGZXSAC-RISCZKNCSA-N 1 0 391.331 2.418 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173224846 531995239 /nfs/dbraw/zinc/99/52/39/531995239.db2.gz PFJPQTSPZGXYHT-ZDUSSCGKSA-N 1 0 378.270 2.169 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000120950428 532003646 /nfs/dbraw/zinc/00/36/46/532003646.db2.gz FPDKXBNRNMQLKT-OAHLLOKOSA-N 1 0 382.346 2.381 20 0 GEADRO CC(C)C[C@@H](CNC(=O)c1cncc(I)c1)[NH+](C)C ZINC000120992485 532008356 /nfs/dbraw/zinc/00/83/56/532008356.db2.gz ZIOVZVNSIWRWIC-ZDUSSCGKSA-N 1 0 375.254 2.392 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000173530789 532017183 /nfs/dbraw/zinc/01/71/83/532017183.db2.gz ADPNRVLOWCSBDW-UHFFFAOYSA-N 1 0 396.329 2.384 20 0 GEADRO C[C@]1(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CCC[NH2+]1 ZINC000121247459 532020290 /nfs/dbraw/zinc/02/02/90/532020290.db2.gz VTLJJCYMSUFXLC-YVEFUNNKSA-N 1 0 395.301 2.163 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000173651764 532024009 /nfs/dbraw/zinc/02/40/09/532024009.db2.gz CBFXTEBMORYTFT-OAHLLOKOSA-N 1 0 398.345 2.312 20 0 GEADRO Cc1[nH]cc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c(=O)c1Br ZINC000121369215 532025314 /nfs/dbraw/zinc/02/53/14/532025314.db2.gz LVLYVVARXYUDEC-LLVKDONJSA-N 1 0 398.301 2.183 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000173704073 532028220 /nfs/dbraw/zinc/02/82/20/532028220.db2.gz LREGESQHTNYXRD-LBPRGKRZSA-N 1 0 398.301 2.339 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000173727728 532029321 /nfs/dbraw/zinc/02/93/21/532029321.db2.gz KKKWSCJSBUFLOB-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000173739076 532029000 /nfs/dbraw/zinc/02/90/00/532029000.db2.gz MRNXIQHYVKNMMV-CJNGLKHVSA-N 1 0 384.318 2.165 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1=O ZINC000173744179 532031062 /nfs/dbraw/zinc/03/10/62/532031062.db2.gz CBTYVYLFQCIZCT-DOMZBBRYSA-N 1 0 381.929 2.403 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000173805034 532033803 /nfs/dbraw/zinc/03/38/03/532033803.db2.gz UTIVYNHYEWYKCU-VXGBXAGGSA-N 1 0 382.302 2.225 20 0 GEADRO COCCN(C)S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000121598751 532037050 /nfs/dbraw/zinc/03/70/50/532037050.db2.gz SSCDHOIBNXBGLI-UHFFFAOYSA-N 1 0 389.949 2.061 20 0 GEADRO CC(C)[NH+](CCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(C)C ZINC000173919301 532041921 /nfs/dbraw/zinc/04/19/21/532041921.db2.gz QKUDLYBUDDGINL-UHFFFAOYSA-N 1 0 390.571 2.414 20 0 GEADRO CCc1nsc(N2CCCN(CC(=O)NCc3sccc3C)CC2)n1 ZINC000174045811 532047682 /nfs/dbraw/zinc/04/76/82/532047682.db2.gz QKCDTQJTUQRNAY-UHFFFAOYSA-N 1 0 379.555 2.299 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000174137212 532051245 /nfs/dbraw/zinc/05/12/45/532051245.db2.gz WOQDNDLKFKNKOZ-ZIAGYGMSSA-N 1 0 377.312 2.122 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000174133882 532051287 /nfs/dbraw/zinc/05/12/87/532051287.db2.gz YAOWMUCBGHFPEA-WMLDXEAASA-N 1 0 398.345 2.015 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000174133905 532051637 /nfs/dbraw/zinc/05/16/37/532051637.db2.gz YAOWMUCBGHFPEA-RHSMWYFYSA-N 1 0 398.345 2.015 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000174137189 532052152 /nfs/dbraw/zinc/05/21/52/532052152.db2.gz WOQDNDLKFKNKOZ-KGLIPLIRSA-N 1 0 377.312 2.122 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000174205232 532055706 /nfs/dbraw/zinc/05/57/06/532055706.db2.gz OZBWLOVYZCVTKX-OAHLLOKOSA-N 1 0 381.318 2.086 20 0 GEADRO O=C(NCCOc1cccc(Br)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174220301 532056494 /nfs/dbraw/zinc/05/64/94/532056494.db2.gz VHAYJIZCGFPCBU-OAHLLOKOSA-N 1 0 380.286 2.484 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1cccs1 ZINC000122237092 532063256 /nfs/dbraw/zinc/06/32/56/532063256.db2.gz SXXKFOMOLHPMIG-UHFFFAOYSA-N 1 0 380.470 2.141 20 0 GEADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1OC(F)F ZINC000122285704 532064048 /nfs/dbraw/zinc/06/40/48/532064048.db2.gz KZSAPHGZAPEJRK-UHFFFAOYSA-N 1 0 392.449 2.426 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000122325374 532065823 /nfs/dbraw/zinc/06/58/23/532065823.db2.gz IBBHULNHIJWAKR-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccnc1Br ZINC000122428713 532069557 /nfs/dbraw/zinc/06/95/57/532069557.db2.gz VONYVEYRXBMSIB-GJZGRUSLSA-N 1 0 382.302 2.342 20 0 GEADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000174633471 532071894 /nfs/dbraw/zinc/07/18/94/532071894.db2.gz CDIOKPCCFJWMKQ-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc(Br)cc1 ZINC000122579117 532075887 /nfs/dbraw/zinc/07/58/87/532075887.db2.gz HFKYAARJNJTDHM-INIZCTEOSA-N 1 0 385.302 2.398 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000174749883 532076830 /nfs/dbraw/zinc/07/68/30/532076830.db2.gz UAENWPGHBMHNKY-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)C1 ZINC000122594299 532076931 /nfs/dbraw/zinc/07/69/31/532076931.db2.gz FTQVSPVSTCNXOB-GFCCVEGCSA-N 1 0 382.507 2.308 20 0 GEADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000175003534 532087238 /nfs/dbraw/zinc/08/72/38/532087238.db2.gz WMOGHTDQRMJIGV-UHFFFAOYSA-N 1 0 385.917 2.124 20 0 GEADRO NC(=O)C1([NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)CCCCC1 ZINC000122979459 532087964 /nfs/dbraw/zinc/08/79/64/532087964.db2.gz ABCCVNFXZHATFW-UHFFFAOYSA-N 1 0 390.228 2.444 20 0 GEADRO COCC[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000122977004 532088323 /nfs/dbraw/zinc/08/83/23/532088323.db2.gz DZGUADGXADNCNP-UHFFFAOYSA-N 1 0 385.302 2.374 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000122996591 532088860 /nfs/dbraw/zinc/08/88/60/532088860.db2.gz QJGLLBASTVAEMW-UHFFFAOYSA-N 1 0 395.319 2.086 20 0 GEADRO COc1cc(C[NH2+][C@H](C)[C@@H](C)CO)cc(I)c1OC ZINC000123169030 532094373 /nfs/dbraw/zinc/09/43/73/532094373.db2.gz MZWRUCQKPBFXIP-VHSXEESVSA-N 1 0 379.238 2.415 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000123186857 532095568 /nfs/dbraw/zinc/09/55/68/532095568.db2.gz SYGNOLLTRYRDST-GFCCVEGCSA-N 1 0 398.276 2.471 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1Br ZINC000175279723 532095894 /nfs/dbraw/zinc/09/58/94/532095894.db2.gz LUXWQXDCYZRKHJ-LLVKDONJSA-N 1 0 377.304 2.172 20 0 GEADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000175440578 532103751 /nfs/dbraw/zinc/10/37/51/532103751.db2.gz MCNHPBBWPOCBHF-KBPBESRZSA-N 1 0 384.933 2.476 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000175442958 532104307 /nfs/dbraw/zinc/10/43/07/532104307.db2.gz QDMNQDOCIHJSLP-MNOVXSKESA-N 1 0 388.331 2.229 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2occc2Br)CC1 ZINC000175884847 532118877 /nfs/dbraw/zinc/11/88/77/532118877.db2.gz WCTZVGQLKWYRED-UHFFFAOYSA-N 1 0 379.258 2.119 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3nnc(C(F)(F)F)s3)CC2)CCO1 ZINC000124437858 532121624 /nfs/dbraw/zinc/12/16/24/532121624.db2.gz RTYKJCFXHWMPND-SECBINFHSA-N 1 0 379.408 2.274 20 0 GEADRO O=C(NCc1sccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176038694 532123846 /nfs/dbraw/zinc/12/38/46/532123846.db2.gz ASNJMSSLCURWBU-GFCCVEGCSA-N 1 0 388.331 2.374 20 0 GEADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[NH+](CC2CC2)CC1 ZINC000175685986 532112019 /nfs/dbraw/zinc/11/20/19/532112019.db2.gz BDWFEAZIQRSJQG-UHFFFAOYSA-N 1 0 390.281 2.458 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C[N@@H+]1C1CC1 ZINC000124195764 532115717 /nfs/dbraw/zinc/11/57/17/532115717.db2.gz SQNXYZZXFHJFDM-WCQYABFASA-N 1 0 390.285 2.385 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000124649705 532126285 /nfs/dbraw/zinc/12/62/85/532126285.db2.gz DDFWYDOIXUFFEE-UHFFFAOYSA-N 1 0 380.290 2.347 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000176159874 532127905 /nfs/dbraw/zinc/12/79/05/532127905.db2.gz JUVPTZMFCJLCTL-CHWSQXEVSA-N 1 0 387.571 2.143 20 0 GEADRO O=C(NC[C@@]1(O)CCSC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000176175707 532128567 /nfs/dbraw/zinc/12/85/67/532128567.db2.gz JSADUDJKLPAACV-SFHVURJKSA-N 1 0 383.945 2.472 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000176219662 532130615 /nfs/dbraw/zinc/13/06/15/532130615.db2.gz HJWBNSJMYWFAGE-UHFFFAOYSA-N 1 0 386.290 2.244 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(C(N)=O)c[nH]1 ZINC000176248202 532131890 /nfs/dbraw/zinc/13/18/90/532131890.db2.gz LCAUQMBGIORSJW-UHFFFAOYSA-N 1 0 393.285 2.080 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000176302540 532133603 /nfs/dbraw/zinc/13/36/03/532133603.db2.gz YZGZTRWWWQCKMH-KGLIPLIRSA-N 1 0 385.917 2.410 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N(C)C3CC[NH2+]CC3)CC2=O)ccc1Br ZINC000125411104 532135059 /nfs/dbraw/zinc/13/50/59/532135059.db2.gz VBAASSNZABSSHQ-ZDUSSCGKSA-N 1 0 394.313 2.321 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCc1ccc(Br)cc1 ZINC000176351638 532135382 /nfs/dbraw/zinc/13/53/82/532135382.db2.gz KLJNOAGMPHZOPI-UHFFFAOYSA-N 1 0 382.346 2.478 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000176794354 532150447 /nfs/dbraw/zinc/15/04/47/532150447.db2.gz JGBWTTDHCRHNMX-UHFFFAOYSA-N 1 0 382.507 2.272 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O ZINC000126890740 532151561 /nfs/dbraw/zinc/15/15/61/532151561.db2.gz SOYUTPUUVLYEPV-SNVBAGLBSA-N 1 0 388.693 2.451 20 0 GEADRO CN(C(=O)c1ccc2ncc(I)n2c1)[C@@H]1CCC[N@H+](C)C1 ZINC000176890200 532152927 /nfs/dbraw/zinc/15/29/27/532152927.db2.gz GXGWNGPFKHCREH-GFCCVEGCSA-N 1 0 398.248 2.105 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000176887904 532153335 /nfs/dbraw/zinc/15/33/35/532153335.db2.gz KARVEKQIIXEMFE-LBPRGKRZSA-N 1 0 383.290 2.412 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000127533310 532155034 /nfs/dbraw/zinc/15/50/34/532155034.db2.gz YHADTVLOPUZUPV-LBPRGKRZSA-N 1 0 387.311 2.026 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000176547708 532140502 /nfs/dbraw/zinc/14/05/02/532140502.db2.gz ISKYJVKMDSRWET-UHFFFAOYSA-N 1 0 387.571 2.177 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CC[NH2+]C[C@@H]3C)[nH]c(=O)c2c1C ZINC000125695033 532140656 /nfs/dbraw/zinc/14/06/56/532140656.db2.gz BDYAEZAGFRWBDQ-CABZTGNLSA-N 1 0 380.539 2.043 20 0 GEADRO O=C(NCC1(O)CCOCC1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000176671035 532144701 /nfs/dbraw/zinc/14/47/01/532144701.db2.gz LGXHTOMLZMLLEZ-INIZCTEOSA-N 1 0 397.313 2.244 20 0 GEADRO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1Cl)C(C)(C)C[NH+](C)C ZINC000176639798 532144850 /nfs/dbraw/zinc/14/48/50/532144850.db2.gz QAYMZRNYNDUIRB-CYBMUJFWSA-N 1 0 389.949 2.101 20 0 GEADRO CC(C)[C@H](CNC(=O)Nc1cncc(Br)c1)[NH+]1CCN(C)CC1 ZINC000126120215 532144992 /nfs/dbraw/zinc/14/49/92/532144992.db2.gz MYZFBFCZZPDJFV-HNNXBMFYSA-N 1 0 384.322 2.238 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000176972228 532157618 /nfs/dbraw/zinc/15/76/18/532157618.db2.gz LLHHIJXKFVMQFC-UHFFFAOYSA-N 1 0 398.301 2.257 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000177024518 532159845 /nfs/dbraw/zinc/15/98/45/532159845.db2.gz LUWIEBCETKARCM-CQSZACIVSA-N 1 0 398.301 2.385 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCc2ccc(Br)s2)CC1 ZINC000177425465 532170720 /nfs/dbraw/zinc/17/07/20/532170720.db2.gz AYGPMPCDPHHSPH-UHFFFAOYSA-N 1 0 390.347 2.151 20 0 GEADRO CC(C)C[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[NH+](C)C ZINC000127995795 532159908 /nfs/dbraw/zinc/15/99/08/532159908.db2.gz GCBZNDZHBYTHOK-HNNXBMFYSA-N 1 0 384.318 2.271 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000127975568 532160352 /nfs/dbraw/zinc/16/03/52/532160352.db2.gz GFPOYKCFYFGSPU-CQSZACIVSA-N 1 0 385.295 2.130 20 0 GEADRO C[C@H]1C[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000177159076 532163506 /nfs/dbraw/zinc/16/35/06/532163506.db2.gz YGMJAZIECCYPSJ-WFASDCNBSA-N 1 0 394.313 2.310 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000128454985 532165064 /nfs/dbraw/zinc/16/50/64/532165064.db2.gz QYUNHMGJLLOWKT-UHFFFAOYSA-N 1 0 389.253 2.131 20 0 GEADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177701935 532179225 /nfs/dbraw/zinc/17/92/25/532179225.db2.gz OIHYPJUBXJMRKN-CQSZACIVSA-N 1 0 379.448 2.143 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177746249 532181147 /nfs/dbraw/zinc/18/11/47/532181147.db2.gz OKGFUNGLFJFYJF-LLVKDONJSA-N 1 0 386.677 2.348 20 0 GEADRO CC[N@H+](CCOc1ccc(Br)cc1)CC(=O)NC(=O)NC1CC1 ZINC000129719497 532182746 /nfs/dbraw/zinc/18/27/46/532182746.db2.gz BBSFHMUKAXWBEV-UHFFFAOYSA-N 1 0 384.274 2.138 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000129731799 532183324 /nfs/dbraw/zinc/18/33/24/532183324.db2.gz ZIMTXBKWHMLAJP-UHFFFAOYSA-N 1 0 376.906 2.234 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000129110607 532173068 /nfs/dbraw/zinc/17/30/68/532173068.db2.gz NCISJKBPRZQLCT-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO O=C(NCc1nc(C(F)(F)F)cs1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177540467 532175260 /nfs/dbraw/zinc/17/52/60/532175260.db2.gz MDQYGTSYAGNSHZ-UHFFFAOYSA-N 1 0 378.420 2.168 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000130704371 532193917 /nfs/dbraw/zinc/19/39/17/532193917.db2.gz NQZGIDVDSGEBKC-ZDUSSCGKSA-N 1 0 396.289 2.286 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131243332 532194245 /nfs/dbraw/zinc/19/42/45/532194245.db2.gz HKAJRLGTSPWZFU-INIZCTEOSA-N 1 0 396.329 2.478 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000131307524 532195673 /nfs/dbraw/zinc/19/56/73/532195673.db2.gz IYDWYTAUOGFTJT-STQMWFEESA-N 1 0 388.331 2.103 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000178182826 532196022 /nfs/dbraw/zinc/19/60/22/532196022.db2.gz UGRHTIUZJZBVAU-WPGHFRTFSA-N 1 0 382.302 2.407 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000131359104 532197040 /nfs/dbraw/zinc/19/70/40/532197040.db2.gz LCHUZTZMJINQHN-BDJLRTHQSA-N 1 0 390.297 2.131 20 0 GEADRO C[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C[C@H]1CCOC1 ZINC000178344612 532198545 /nfs/dbraw/zinc/19/85/45/532198545.db2.gz JVPCBLAKDGIBAK-CYBMUJFWSA-N 1 0 387.311 2.005 20 0 GEADRO O=C(Nc1ccc(Br)nc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000177885960 532186093 /nfs/dbraw/zinc/18/60/93/532186093.db2.gz ZTQOURKWPREGFV-UHFFFAOYSA-N 1 0 383.290 2.420 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000129951614 532187124 /nfs/dbraw/zinc/18/71/24/532187124.db2.gz KDDFNSHWXVRDJV-UKRRQHHQSA-N 1 0 383.286 2.152 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1=O ZINC000177979507 532188854 /nfs/dbraw/zinc/18/88/54/532188854.db2.gz SOXDGUWUPDSGGD-CYBMUJFWSA-N 1 0 383.290 2.240 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Br)cn(C)c1=O ZINC000177982728 532189490 /nfs/dbraw/zinc/18/94/90/532189490.db2.gz LZTLBKBPGVRSOJ-OLZOCXBDSA-N 1 0 383.290 2.238 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000178003730 532189601 /nfs/dbraw/zinc/18/96/01/532189601.db2.gz RSHCOCNQFTUFFO-GFCCVEGCSA-N 1 0 375.441 2.488 20 0 GEADRO COC[C@@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000178003902 532189609 /nfs/dbraw/zinc/18/96/09/532189609.db2.gz ZNGXTYQFPCERSE-QGZVFWFLSA-N 1 0 382.913 2.466 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1Br ZINC000178019352 532190386 /nfs/dbraw/zinc/19/03/86/532190386.db2.gz CHYHMXMGBFIIJT-WCQYABFASA-N 1 0 398.301 2.385 20 0 GEADRO C[C@@H]([NH3+])CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000178659709 532209294 /nfs/dbraw/zinc/20/92/94/532209294.db2.gz KWJDIIOYLRSKBY-CYBMUJFWSA-N 1 0 387.933 2.372 20 0 GEADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178669359 532209307 /nfs/dbraw/zinc/20/93/07/532209307.db2.gz SMMLXIDMMKSXED-XHDPSFHLSA-N 1 0 380.286 2.226 20 0 GEADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1-n1cncn1 ZINC000132123565 532209529 /nfs/dbraw/zinc/20/95/29/532209529.db2.gz KTAWGGVSKUZSDP-AWEZNQCLSA-N 1 0 390.285 2.244 20 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CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+]C1(CO)CCCC1 ZINC000179060831 532221213 /nfs/dbraw/zinc/22/12/13/532221213.db2.gz OUTDDQUAIYUGOP-UHFFFAOYSA-N 1 0 385.302 2.181 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccnc1Br)C[NH+]1CCCCC1 ZINC000179556285 532235706 /nfs/dbraw/zinc/23/57/06/532235706.db2.gz HKBIKXBVNWSXIZ-GFCCVEGCSA-N 1 0 383.290 2.021 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000179227114 532225608 /nfs/dbraw/zinc/22/56/08/532225608.db2.gz ZOGKPWLPGMGSGL-UHFFFAOYSA-N 1 0 390.228 2.268 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N1CCc2cc(Br)sc2C1 ZINC000133091883 532226374 /nfs/dbraw/zinc/22/63/74/532226374.db2.gz NIYGYRHPMJNRPE-UHFFFAOYSA-N 1 0 376.320 2.157 20 0 GEADRO C[C@H](CNC(=O)Cc1ccc(Br)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000133095521 532226771 /nfs/dbraw/zinc/22/67/71/532226771.db2.gz YONUSIVJPFFEIN-CYBMUJFWSA-N 1 0 386.309 2.130 20 0 GEADRO C[NH+](C)CCNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000133661284 532240607 /nfs/dbraw/zinc/24/06/07/532240607.db2.gz RLNBKBKNJHRFDZ-UHFFFAOYSA-N 1 0 390.347 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IOVQKZWBIUQBCP-CYBMUJFWSA-N 1 0 388.249 2.370 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccnc1Br ZINC000179571107 532237431 /nfs/dbraw/zinc/23/74/31/532237431.db2.gz KZHJHSPWRQXOGZ-FRRDWIJNSA-N 1 0 397.317 2.265 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000133524383 532238094 /nfs/dbraw/zinc/23/80/94/532238094.db2.gz IBGGPUIZMNHOCH-AWEZNQCLSA-N 1 0 382.917 2.007 20 0 GEADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 ZINC000180078591 532255893 /nfs/dbraw/zinc/25/58/93/532255893.db2.gz WWTQMRUYYPZRMH-MRXNPFEDSA-N 1 0 388.295 2.405 20 0 GEADRO Cc1nc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)sc1Br ZINC000180110753 532257410 /nfs/dbraw/zinc/25/74/10/532257410.db2.gz DZIKHJPFAAVGEK-MNOVXSKESA-N 1 0 394.360 2.319 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180203323 532261707 /nfs/dbraw/zinc/26/17/07/532261707.db2.gz ZPIFYFUPPCJALX-HZPDHXFCSA-N 1 0 375.296 2.332 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@H]2COc3ccc(Br)cc32)CCOCC1 ZINC000134779870 532262454 /nfs/dbraw/zinc/26/24/54/532262454.db2.gz IPZMWLAMRRHGDN-AWEZNQCLSA-N 1 0 383.286 2.152 20 0 GEADRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ncc(Br)cc1Br ZINC000135283165 532269679 /nfs/dbraw/zinc/26/96/79/532269679.db2.gz CEZMKBFOFDZFHG-JTQLQIEISA-N 1 0 393.123 2.417 20 0 GEADRO COC(=O)[C@@H](O)C1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000180673087 532277233 /nfs/dbraw/zinc/27/72/33/532277233.db2.gz WFAMSMWGABISML-KRWDZBQOSA-N 1 0 396.281 2.471 20 0 GEADRO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(F)cc1F ZINC000180749604 532279636 /nfs/dbraw/zinc/27/96/36/532279636.db2.gz YQMZEOPJUYAZMS-RHSMWYFYSA-N 1 0 376.469 2.494 20 0 GEADRO C[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000135764108 532280155 /nfs/dbraw/zinc/28/01/55/532280155.db2.gz GDLSQUWZXQZGMJ-OAHLLOKOSA-N 1 0 381.325 2.383 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000180807292 532281458 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MNFSXUMHQPULEQ-UHFFFAOYSA-N 1 0 383.290 2.165 20 0 GEADRO CCOC(=O)CC[N@@H+](CC(=O)Nc1ccc(Br)cn1)CC1CC1 ZINC000143923921 532296930 /nfs/dbraw/zinc/29/69/30/532296930.db2.gz JUPSXAZRYAKNGU-UHFFFAOYSA-N 1 0 384.274 2.448 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NCC[N@@H+](C)C3CC3)CC2=O)ccc1Br ZINC000143814456 532297150 /nfs/dbraw/zinc/29/71/50/532297150.db2.gz RSYUEEHHGRLWDV-ZDUSSCGKSA-N 1 0 394.313 2.321 20 0 GEADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000181377352 532297264 /nfs/dbraw/zinc/29/72/64/532297264.db2.gz RNVFPOQTAWQBBB-LBPRGKRZSA-N 1 0 383.539 2.181 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1cccnc1Cl ZINC000181474130 532299594 /nfs/dbraw/zinc/29/95/94/532299594.db2.gz UDZGRZFEELYNJU-UHFFFAOYSA-N 1 0 382.917 2.151 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000181512168 532300088 /nfs/dbraw/zinc/30/00/88/532300088.db2.gz HIFVBTULPCBNEL-NPMABZOXSA-N 1 0 386.564 2.423 20 0 GEADRO C[NH+](C)CCNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000181601723 532303293 /nfs/dbraw/zinc/30/32/93/532303293.db2.gz VSDPESWRAXQPLF-UHFFFAOYSA-N 1 0 385.184 2.468 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1N(C)C ZINC000181637947 532303614 /nfs/dbraw/zinc/30/36/14/532303614.db2.gz JWHZHBIQUCBXSX-JSGCOSHPSA-N 1 0 386.514 2.439 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Br)ccc1F ZINC000150872668 532303607 /nfs/dbraw/zinc/30/36/07/532303607.db2.gz INNANNDPTQPNCG-LBPRGKRZSA-N 1 0 397.310 2.223 20 0 GEADRO C[C@H](C[S@@](C)=O)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000181635759 532304088 /nfs/dbraw/zinc/30/40/88/532304088.db2.gz UOENWQTUTFDFHP-BSEWSNTLSA-N 1 0 376.444 2.324 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181658125 532304730 /nfs/dbraw/zinc/30/47/30/532304730.db2.gz LHMWVWPCFWIVCO-UHFFFAOYSA-N 1 0 375.803 2.482 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)ccc1OC(F)F ZINC000181692675 532305346 /nfs/dbraw/zinc/30/53/46/532305346.db2.gz QBONHABJJGTVIF-WCQYABFASA-N 1 0 378.441 2.371 20 0 GEADRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cccc(Br)c1 ZINC000181928139 532307148 /nfs/dbraw/zinc/30/71/48/532307148.db2.gz JXWGPCDIYXDGTK-NHYWBVRUSA-N 1 0 398.301 2.036 20 0 GEADRO CN(CCN(C)S(=O)(=O)c1ccc(Cl)nc1Cl)C1CC[NH+](C)CC1 ZINC000181063783 532290110 /nfs/dbraw/zinc/29/01/10/532290110.db2.gz LRLQKPVVBRFMEQ-UHFFFAOYSA-N 1 0 395.356 2.035 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccncc1Br ZINC000183451832 532324963 /nfs/dbraw/zinc/32/49/63/532324963.db2.gz LBORLPNRSDNGBO-OAHLLOKOSA-N 1 0 390.281 2.341 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183522136 532325729 /nfs/dbraw/zinc/32/57/29/532325729.db2.gz PRYBEWNDXYZGJC-LLVKDONJSA-N 1 0 375.803 2.480 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000182364336 532312291 /nfs/dbraw/zinc/31/22/91/532312291.db2.gz MVDWXPHDPAMKMA-OAHLLOKOSA-N 1 0 399.329 2.499 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000182420156 532312985 /nfs/dbraw/zinc/31/29/85/532312985.db2.gz OLGZYLIDNABSFH-JTNHKYCSSA-N 1 0 378.416 2.048 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)cnc1Br ZINC000182670501 532316589 /nfs/dbraw/zinc/31/65/89/532316589.db2.gz GBUACXCXMAZIQL-UHFFFAOYSA-N 1 0 397.317 2.473 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183029788 532321143 /nfs/dbraw/zinc/32/11/43/532321143.db2.gz BTXPHNSVJMMZLY-OLZOCXBDSA-N 1 0 386.539 2.466 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(F)c1Cl ZINC000185230459 532337352 /nfs/dbraw/zinc/33/73/52/532337352.db2.gz UDHSNLIYTKWQSW-UHFFFAOYSA-N 1 0 395.859 2.291 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000185586088 532338087 /nfs/dbraw/zinc/33/80/87/532338087.db2.gz PKIYACIRKSTACP-GFCCVEGCSA-N 1 0 378.947 2.451 20 0 GEADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NCCC(=O)OC ZINC000185925386 532339040 /nfs/dbraw/zinc/33/90/40/532339040.db2.gz YCQITVWPEIXKEU-CQSZACIVSA-N 1 0 385.302 2.381 20 0 GEADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000185906908 532339084 /nfs/dbraw/zinc/33/90/84/532339084.db2.gz BXXQLIXJFJHAGM-QGZVFWFLSA-N 1 0 380.897 2.190 20 0 GEADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185981303 532339450 /nfs/dbraw/zinc/33/94/50/532339450.db2.gz LARWGIRFYAUWTC-ZDUSSCGKSA-N 1 0 389.315 2.099 20 0 GEADRO COc1ccsc1[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000186215064 532340165 /nfs/dbraw/zinc/34/01/65/532340165.db2.gz QQRHVLSQOIEOAV-CYBMUJFWSA-N 1 0 388.555 2.381 20 0 GEADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NCC1=CC[NH2+]CC1 ZINC000186311901 532340484 /nfs/dbraw/zinc/34/04/84/532340484.db2.gz MUNOFCVVVBJWFX-JOCHJYFZSA-N 1 0 385.327 2.373 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000186397380 532340721 /nfs/dbraw/zinc/34/07/21/532340721.db2.gz ZZQRXZJKFYQKBT-GFCCVEGCSA-N 1 0 382.452 2.234 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000186397400 532340742 /nfs/dbraw/zinc/34/07/42/532340742.db2.gz ZZQRXZJKFYQKBT-LBPRGKRZSA-N 1 0 382.452 2.234 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186777380 532341905 /nfs/dbraw/zinc/34/19/05/532341905.db2.gz VOXZZQAIUMCLMB-WQVCFCJDSA-N 1 0 383.945 2.306 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1Cl ZINC000186835235 532342150 /nfs/dbraw/zinc/34/21/50/532342150.db2.gz VQHGLCZUQRXPAK-SWLSCSKDSA-N 1 0 387.933 2.098 20 0 GEADRO Cc1ccc(CC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000186856378 532342198 /nfs/dbraw/zinc/34/21/98/532342198.db2.gz ISRAVRJLLWIOKA-OAHLLOKOSA-N 1 0 382.346 2.442 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1Cl ZINC000186835285 532342256 /nfs/dbraw/zinc/34/22/56/532342256.db2.gz VQHGLCZUQRXPAK-DOMZBBRYSA-N 1 0 387.933 2.098 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000186885655 532342288 /nfs/dbraw/zinc/34/22/88/532342288.db2.gz UXLWEKMDRNNLLB-CYBMUJFWSA-N 1 0 399.329 2.304 20 0 GEADRO C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000187266407 532343806 /nfs/dbraw/zinc/34/38/06/532343806.db2.gz PPUBLAXJHCKDCV-FZKQIMNGSA-N 1 0 392.297 2.418 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000186907550 532342455 /nfs/dbraw/zinc/34/24/55/532342455.db2.gz VRCHRKVCXQUHSU-GFCCVEGCSA-N 1 0 385.302 2.375 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ncc(Br)cc2F)CC1 ZINC000186982954 532342753 /nfs/dbraw/zinc/34/27/53/532342753.db2.gz MVVJCZQHBBRMSG-SNVBAGLBSA-N 1 0 394.310 2.448 20 0 GEADRO O=C1CCC(=O)N1CC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183821387 532329283 /nfs/dbraw/zinc/32/92/83/532329283.db2.gz QPKVUYWMUPWCGL-UHFFFAOYSA-N 1 0 381.270 2.441 20 0 GEADRO CCN(CC1CC1)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000183894155 532330046 /nfs/dbraw/zinc/33/00/46/532330046.db2.gz ILVPRJSREBLFIU-UHFFFAOYSA-N 1 0 375.604 2.304 20 0 GEADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000183955971 532330272 /nfs/dbraw/zinc/33/02/72/532330272.db2.gz ZWISGKWGFFLQSX-LBPRGKRZSA-N 1 0 394.269 2.080 20 0 GEADRO O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000184514883 532333167 /nfs/dbraw/zinc/33/31/67/532333167.db2.gz CXKGVCKVCDDVCP-CYBMUJFWSA-N 1 0 380.436 2.084 20 0 GEADRO CCN(CCO)CC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000184539150 532333403 /nfs/dbraw/zinc/33/34/03/532333403.db2.gz SBCOEBVTPKSAGL-UHFFFAOYSA-N 1 0 381.318 2.347 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000184636635 532333968 /nfs/dbraw/zinc/33/39/68/532333968.db2.gz NCMWRPILJNXWPU-ZBFHGGJFSA-N 1 0 384.567 2.432 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)c(C)cc1OC ZINC000184668707 532334025 /nfs/dbraw/zinc/33/40/25/532334025.db2.gz FMKLKVLGKICASS-LBPRGKRZSA-N 1 0 398.301 2.305 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CN3C(=S)N=NC3c3ccc(Cl)cc3)C[C@@H]12 ZINC000184969169 532336430 /nfs/dbraw/zinc/33/64/30/532336430.db2.gz JJTQYWPRPAKSNF-MRVWCRGKSA-N 1 0 377.901 2.083 20 0 GEADRO Cc1ccc(CC(=O)N(C)CCCN2CC[NH+](C)CC2)cc1Br ZINC000187851605 532345945 /nfs/dbraw/zinc/34/59/45/532345945.db2.gz CJYGSZDDNVWFRC-UHFFFAOYSA-N 1 0 382.346 2.396 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1Br ZINC000188094239 532346589 /nfs/dbraw/zinc/34/65/89/532346589.db2.gz DGZUZOPBTDGOQS-ZDUSSCGKSA-N 1 0 382.302 2.415 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000188086652 532346615 /nfs/dbraw/zinc/34/66/15/532346615.db2.gz WSEQRFBLNPNXPO-HNNXBMFYSA-N 1 0 380.286 2.393 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000188174883 532347125 /nfs/dbraw/zinc/34/71/25/532347125.db2.gz JREXOBKQQFLFFP-ZDUSSCGKSA-N 1 0 385.277 2.311 20 0 GEADRO Ic1ccc2ncnc(NCC[N@@H+]3CCCOCC3)c2c1 ZINC000188499325 532348531 /nfs/dbraw/zinc/34/85/31/532348531.db2.gz DYBXWVPYVRGKLA-UHFFFAOYSA-N 1 0 398.248 2.369 20 0 GEADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188503843 532348568 /nfs/dbraw/zinc/34/85/68/532348568.db2.gz NIPYPGHWTONFSG-LSDHHAIUSA-N 1 0 385.277 2.314 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000188656419 532349001 /nfs/dbraw/zinc/34/90/01/532349001.db2.gz GYWTXEBLQVXUML-NSHDSACASA-N 1 0 377.436 2.080 20 0 GEADRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188741873 532349366 /nfs/dbraw/zinc/34/93/66/532349366.db2.gz KKSYWKKZYAPTNO-WBMJQRKESA-N 1 0 389.359 2.488 20 0 GEADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[NH+]2CCC1CC2 ZINC000188862995 532349844 /nfs/dbraw/zinc/34/98/44/532349844.db2.gz UFYLWFQIAPCTSN-MRXNPFEDSA-N 1 0 392.297 2.109 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188973094 532350428 /nfs/dbraw/zinc/35/04/28/532350428.db2.gz HIRGRMZKOIPELT-OAHLLOKOSA-N 1 0 381.314 2.481 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000189114412 532350880 /nfs/dbraw/zinc/35/08/80/532350880.db2.gz MNFFZHARWHBLAD-CYBMUJFWSA-N 1 0 377.913 2.092 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)Nc1ccc(Br)cc1 ZINC000189417467 532352109 /nfs/dbraw/zinc/35/21/09/532352109.db2.gz JMGSCIJDYQRYRI-CYBMUJFWSA-N 1 0 384.318 2.165 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189789197 532353744 /nfs/dbraw/zinc/35/37/44/532353744.db2.gz ULSDPVRYQRJMEI-UHFFFAOYSA-N 1 0 396.285 2.093 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000189978305 532354379 /nfs/dbraw/zinc/35/43/79/532354379.db2.gz KXCPCHQDRNFYCT-UWVGGRQHSA-N 1 0 384.274 2.485 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190030831 532354495 /nfs/dbraw/zinc/35/44/95/532354495.db2.gz DHOJEZGMDRIADC-HNNXBMFYSA-N 1 0 380.286 2.474 20 0 GEADRO CN(CCCNC(=O)C[NH2+]C(C)(C)CC1CCCCCC1)S(C)(=O)=O ZINC000190028396 532354498 /nfs/dbraw/zinc/35/44/98/532354498.db2.gz AAUSBGNWJIFSOB-UHFFFAOYSA-N 1 0 375.579 2.113 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1Br ZINC000190083762 532354723 /nfs/dbraw/zinc/35/47/23/532354723.db2.gz XZDJNNMACODKDK-JSGCOSHPSA-N 1 0 380.286 2.391 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1Br ZINC000190090912 532354855 /nfs/dbraw/zinc/35/48/55/532354855.db2.gz RBEMEYWDAKDKAC-QWHCGFSZSA-N 1 0 380.286 2.391 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC1CC(O)C1 ZINC000190114240 532354897 /nfs/dbraw/zinc/35/48/97/532354897.db2.gz UJCPZCKRFQWJDM-CDWSIMAYSA-N 1 0 388.249 2.321 20 0 GEADRO C[C@H]1CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[N@@H+]1CCO ZINC000190247293 532355335 /nfs/dbraw/zinc/35/53/35/532355335.db2.gz ZKDBIUFKSWXFJX-ZDUSSCGKSA-N 1 0 379.302 2.338 20 0 GEADRO C[C@H](C[N@H+](C)C[C@H](O)CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000190353742 532355710 /nfs/dbraw/zinc/35/57/10/532355710.db2.gz KFBKZQHFMBPFJG-KGLIPLIRSA-N 1 0 377.312 2.386 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cccnc1Br ZINC000190662698 532357316 /nfs/dbraw/zinc/35/73/16/532357316.db2.gz UXGWFXCXHIMHCJ-UHFFFAOYSA-N 1 0 385.306 2.363 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)C1 ZINC000190686700 532357488 /nfs/dbraw/zinc/35/74/88/532357488.db2.gz DSKLENHYRUBMIY-ZDUSSCGKSA-N 1 0 376.469 2.480 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190835289 532358173 /nfs/dbraw/zinc/35/81/73/532358173.db2.gz GGBNXJOZXVDUQJ-UHFFFAOYSA-N 1 0 378.217 2.124 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc(C)c1Br ZINC000190862680 532358410 /nfs/dbraw/zinc/35/84/10/532358410.db2.gz KAUVZSDGLONLNB-UHFFFAOYSA-N 1 0 380.286 2.311 20 0 GEADRO CC(C)CNC(=O)[C@H](C)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306654 532360383 /nfs/dbraw/zinc/36/03/83/532360383.db2.gz JSWUQAVRAGXFCA-NSHDSACASA-N 1 0 379.452 2.230 20 0 GEADRO COC[C@@H](C)C[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000187290834 532343955 /nfs/dbraw/zinc/34/39/55/532343955.db2.gz QASOIOMHONNXJS-AWEZNQCLSA-N 1 0 385.302 2.255 20 0 GEADRO CSc1ccccc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000187534976 532344729 /nfs/dbraw/zinc/34/47/29/532344729.db2.gz XQIUGLFQEAWSKB-JKSUJKDBSA-N 1 0 384.567 2.455 20 0 GEADRO C[C@@H]1CN(Cc2cc3c(cc2Br)OCCCO3)CC[N@@H+]1CCO ZINC000187701868 532345133 /nfs/dbraw/zinc/34/51/33/532345133.db2.gz WLPLDRHANYNUMP-CYBMUJFWSA-N 1 0 385.302 2.109 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC000647256417 532372005 /nfs/dbraw/zinc/37/20/05/532372005.db2.gz RIVXWQDAPKQEHW-MRXNPFEDSA-N 1 0 382.917 2.453 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3F)[C@@H]2C1 ZINC000425205569 532373252 /nfs/dbraw/zinc/37/32/52/532373252.db2.gz BSMLRAKBIXTNHV-GXFFZTMASA-N 1 0 377.279 2.303 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000647263922 532373364 /nfs/dbraw/zinc/37/33/64/532373364.db2.gz IZHDCVUTAPKJRF-CZUORRHYSA-N 1 0 380.901 2.207 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647263418 532373687 /nfs/dbraw/zinc/37/36/87/532373687.db2.gz GYDOVVLPSFHDEJ-AAEUAGOBSA-N 1 0 389.315 2.220 20 0 GEADRO CC[N@@H+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000515888240 532373870 /nfs/dbraw/zinc/37/38/70/532373870.db2.gz OFWFLBWOPZPDNJ-LBPRGKRZSA-N 1 0 383.286 2.315 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000191922339 532374061 /nfs/dbraw/zinc/37/40/61/532374061.db2.gz DCCKNIFTIQFRSZ-UHFFFAOYSA-N 1 0 386.265 2.437 20 0 GEADRO OCCCN1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000647529779 532375379 /nfs/dbraw/zinc/37/53/79/532375379.db2.gz BXSZZTWFUAPGSO-UONOGXRCSA-N 1 0 377.312 2.170 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(Br)cc1N1CCOCC1 ZINC000647540483 532375470 /nfs/dbraw/zinc/37/54/70/532375470.db2.gz UYFSSPHCRCMHLA-HOTGVXAUSA-N 1 0 386.309 2.418 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(Br)c1 ZINC000647522892 532375564 /nfs/dbraw/zinc/37/55/64/532375564.db2.gz QRPYGJMMDITTJT-SWLSCSKDSA-N 1 0 376.316 2.364 20 0 GEADRO COCCOC1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCOCC1 ZINC000294675048 532375886 /nfs/dbraw/zinc/37/58/86/532375886.db2.gz BCGRUHSUZMFIOC-UHFFFAOYSA-N 1 0 398.301 2.399 20 0 GEADRO C[C@@H](CNC(=O)c1cccnc1-n1cc(Br)cn1)[N@H+](C)C1CC1 ZINC000294679367 532376095 /nfs/dbraw/zinc/37/60/95/532376095.db2.gz TVQBPWHFLOVWGC-NSHDSACASA-N 1 0 378.274 2.242 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000647597132 532376717 /nfs/dbraw/zinc/37/67/17/532376717.db2.gz ODBWZSXFXTUPEZ-NEPJUHHUSA-N 1 0 382.302 2.182 20 0 GEADRO Cc1cnc(N2CCC([N@H+](C)CCCO)CC2)c(I)c1 ZINC000425222888 532376771 /nfs/dbraw/zinc/37/67/71/532376771.db2.gz HRCBTRQPPITRRH-UHFFFAOYSA-N 1 0 389.281 2.278 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000191968692 532377281 /nfs/dbraw/zinc/37/72/81/532377281.db2.gz OFQQYLKIBOKZMK-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO CC(C)n1cc(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000463555730 532377746 /nfs/dbraw/zinc/37/77/46/532377746.db2.gz RHZVORMAGNBLCU-ZDUSSCGKSA-N 1 0 399.333 2.149 20 0 GEADRO COc1cc2[nH+]ccc(N[C@@H](CO)c3cnn(C)c3)c2cc1Br ZINC000425241975 532377812 /nfs/dbraw/zinc/37/78/12/532377812.db2.gz BGJDYEWXGSEVJC-HNNXBMFYSA-N 1 0 377.242 2.307 20 0 GEADRO CNC(=O)CN1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000191692554 532362055 /nfs/dbraw/zinc/36/20/55/532362055.db2.gz KXMYURUPPWBFLY-UHFFFAOYSA-N 1 0 380.739 2.464 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1I ZINC000515383909 532362413 /nfs/dbraw/zinc/36/24/13/532362413.db2.gz YGPVKTLZWOZICA-LLVKDONJSA-N 1 0 394.278 2.020 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000557379366 532362820 /nfs/dbraw/zinc/36/28/20/532362820.db2.gz DDWOHGNBFQBRCW-LLVKDONJSA-N 1 0 390.347 2.316 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000557382224 532363036 /nfs/dbraw/zinc/36/30/36/532363036.db2.gz WYIOEXVGQSDIQU-ZDUSSCGKSA-N 1 0 384.318 2.254 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000515402721 532363345 /nfs/dbraw/zinc/36/33/45/532363345.db2.gz SBFOGHGVPDPHID-CABCVRRESA-N 1 0 381.318 2.469 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000647010868 532363847 /nfs/dbraw/zinc/36/38/47/532363847.db2.gz YEGMTCQDCNDTAO-HBNTYKKESA-N 1 0 388.331 2.215 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000621695389 532364156 /nfs/dbraw/zinc/36/41/56/532364156.db2.gz UCRZJZDWRGIAPK-QITLCBANSA-N 1 0 392.297 2.142 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)C2 ZINC000621697283 532364164 /nfs/dbraw/zinc/36/41/64/532364164.db2.gz DOEUYCGVRGGWPT-PXAZEXFGSA-N 1 0 395.301 2.301 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000647025748 532365149 /nfs/dbraw/zinc/36/51/49/532365149.db2.gz LOMLXMOYCCNACW-CQSZACIVSA-N 1 0 382.302 2.073 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCn1cncn1 ZINC000425098630 532365528 /nfs/dbraw/zinc/36/55/28/532365528.db2.gz MFXUWRGGOMWOTI-UHFFFAOYSA-N 1 0 395.305 2.067 20 0 GEADRO Cc1c(Br)cc(C(=O)N(CC[NH+](C)C)Cc2ccco2)c(=O)n1C ZINC000277888257 532365580 /nfs/dbraw/zinc/36/55/80/532365580.db2.gz SUSSXSYYFUHSAH-UHFFFAOYSA-N 1 0 396.285 2.253 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(CC(=O)NCc2ccccc2Br)no1 ZINC000463047627 532365598 /nfs/dbraw/zinc/36/55/98/532365598.db2.gz GCUWRQOLKFXSPL-WCQYABFASA-N 1 0 393.285 2.356 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(CC(=O)NCc2ccccc2Br)no1 ZINC000463047626 532365633 /nfs/dbraw/zinc/36/56/33/532365633.db2.gz GCUWRQOLKFXSPL-DGCLKSJQSA-N 1 0 393.285 2.356 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000590002052 532366513 /nfs/dbraw/zinc/36/65/13/532366513.db2.gz UDOJGMWCQQVLBK-CJNGLKHVSA-N 1 0 394.313 2.355 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000677196742 532367085 /nfs/dbraw/zinc/36/70/85/532367085.db2.gz VEMQFXWDYWFXPQ-BBRMVZONSA-N 1 0 381.929 2.408 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2csc(-c3cccs3)n2)C1 ZINC000590316507 532367219 /nfs/dbraw/zinc/36/72/19/532367219.db2.gz GBGGMTCZUIZPCK-LBPRGKRZSA-N 1 0 378.523 2.189 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2c(Cl)cccc2Cl)C1 ZINC000590316991 532367367 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C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc2c(cc1Br)OCO2 ZINC000621879939 532370658 /nfs/dbraw/zinc/37/06/58/532370658.db2.gz QEXZVTHWLVSLAT-GFCCVEGCSA-N 1 0 399.285 2.361 20 0 GEADRO CCC[C@@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1sc(=O)[nH]c1C ZINC000463279586 532370988 /nfs/dbraw/zinc/37/09/88/532370988.db2.gz JWMPNCNYOAZOLM-HNNXBMFYSA-N 1 0 383.539 2.436 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccccc1Br ZINC000515678339 532371182 /nfs/dbraw/zinc/37/11/82/532371182.db2.gz YDNCLPPYODQJGS-OAHLLOKOSA-N 1 0 396.329 2.446 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1ccc(I)cc1 ZINC000590404196 532371429 /nfs/dbraw/zinc/37/14/29/532371429.db2.gz XBOUWFSRNOQZRX-SMDDNHRTSA-N 1 0 388.249 2.221 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c(Br)c1 ZINC000647255622 532371502 /nfs/dbraw/zinc/37/15/02/532371502.db2.gz HZFGLJPLMYBEQG-CYBMUJFWSA-N 1 0 377.304 2.076 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372111673 532371737 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Brc1ccc(CN2CCN(CC[N@@H+]3CCCOCC3)CC2)s1 ZINC000372271576 532380516 /nfs/dbraw/zinc/38/05/16/532380516.db2.gz CFCJISNPNNCDOC-UHFFFAOYSA-N 1 0 388.375 2.351 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000516168407 532380880 /nfs/dbraw/zinc/38/08/80/532380880.db2.gz ZVSPWVYJUHKVKO-CYBMUJFWSA-N 1 0 390.311 2.320 20 0 GEADRO CN(CC[NH3+])C(=O)c1ccc(I)c(Br)c1 ZINC000516174196 532382250 /nfs/dbraw/zinc/38/22/50/532382250.db2.gz ZOXIUWVGGJSEMV-UHFFFAOYSA-N 1 0 383.027 2.084 20 0 GEADRO CN(C(=O)c1ncc(Br)cc1Br)C1CC[NH2+]CC1 ZINC000516180279 532382586 /nfs/dbraw/zinc/38/25/86/532382586.db2.gz LQCDVKKNBQYUCH-UHFFFAOYSA-N 1 0 377.080 2.431 20 0 GEADRO CO[C@H]1CCN(Cc2nc(-c3ccc(Br)s3)no2)[C@H](C[NH3+])C1 ZINC000647906806 532383439 /nfs/dbraw/zinc/38/34/39/532383439.db2.gz DXWYYGCEOBKQLM-UWVGGRQHSA-N 1 0 387.303 2.499 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(CCS(=O)(=O)c3cccc(Br)c3)C[C@@H]21 ZINC000647907752 532383750 /nfs/dbraw/zinc/38/37/50/532383750.db2.gz OSKUGJOLZLFCBC-VBNZEHGJSA-N 1 0 387.343 2.282 20 0 GEADRO Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c(Br)n1 ZINC000372303895 532383773 /nfs/dbraw/zinc/38/37/73/532383773.db2.gz ABUGQHLWHNTBFD-ZFWWWQNUSA-N 1 0 382.302 2.383 20 0 GEADRO O=C1N=NCN1C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000516310138 532384718 /nfs/dbraw/zinc/38/47/18/532384718.db2.gz KBIQKCRFQPULGN-ZDUSSCGKSA-N 1 0 387.267 2.367 20 0 GEADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647906170 532384756 /nfs/dbraw/zinc/38/47/56/532384756.db2.gz BARIBGVAHRTAPE-MSRIBSCDSA-N 1 0 375.778 2.221 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(Br)cc3N)CC2)CC1 ZINC000648150836 532386630 /nfs/dbraw/zinc/38/66/30/532386630.db2.gz CIVJVASJWCBEFD-UHFFFAOYSA-N 1 0 395.345 2.131 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)N1CCNC(=O)[C@@H]1c1cccs1)c1cccs1 ZINC000463958924 532386776 /nfs/dbraw/zinc/38/67/76/532386776.db2.gz RORXERJZWKTCRN-DOMZBBRYSA-N 1 0 378.523 2.295 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2ccccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372368884 532386831 /nfs/dbraw/zinc/38/68/31/532386831.db2.gz WJNWPNFRNUSOKV-CRAIPNDOSA-N 1 0 394.357 2.476 20 0 GEADRO Cc1cc(Br)c(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1Cl ZINC000294846456 532386893 /nfs/dbraw/zinc/38/68/93/532386893.db2.gz RQXOMFGVNJOCOW-ZDUSSCGKSA-N 1 0 382.707 2.050 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1CCC(O)CC1 ZINC000294848773 532387270 /nfs/dbraw/zinc/38/72/70/532387270.db2.gz NFSRYXHKBFLCCH-CYBMUJFWSA-N 1 0 384.318 2.213 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)C1 ZINC000590812375 532387500 /nfs/dbraw/zinc/38/75/00/532387500.db2.gz SIAFOPRRUPFEGW-LBPRGKRZSA-N 1 0 386.290 2.103 20 0 GEADRO Cc1cc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)ncc1Br ZINC000623372547 532387997 /nfs/dbraw/zinc/38/79/97/532387997.db2.gz ZNGMFEDSBJPPRU-MRXNPFEDSA-N 1 0 386.359 2.450 20 0 GEADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192150814 532388633 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Cc1nc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)sc1C(F)(F)F ZINC000558665525 532395784 /nfs/dbraw/zinc/39/57/84/532395784.db2.gz FWXLYWRGBKABCB-SNVBAGLBSA-N 1 0 376.404 2.104 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C ZINC000425746491 532392818 /nfs/dbraw/zinc/39/28/18/532392818.db2.gz UHTYTMHXOCVISH-ONGXEEELSA-N 1 0 375.803 2.479 20 0 GEADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516867050 532394217 /nfs/dbraw/zinc/39/42/17/532394217.db2.gz GFALBNPTWKKNKH-VXGBXAGGSA-N 1 0 378.416 2.437 20 0 GEADRO O=C(C[C@H]1CCC[NH2+]CC1)NCCCNC(=O)c1cccc(Br)c1 ZINC000372487088 532394240 /nfs/dbraw/zinc/39/42/40/532394240.db2.gz ZHYVYCNKUKTSCL-AWEZNQCLSA-N 1 0 396.329 2.465 20 0 GEADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000624011770 532395007 /nfs/dbraw/zinc/39/50/07/532395007.db2.gz IQMVXEJCMOIXFD-ABAIWWIYSA-N 1 0 382.810 2.442 20 0 GEADRO Cc1nc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)sc1C(F)(F)F ZINC000558665626 532395116 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CC[C@H]1CN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CCN1CCOC ZINC000559053952 532400540 /nfs/dbraw/zinc/40/05/40/532400540.db2.gz PGZMODFXXXWXJD-INIZCTEOSA-N 1 0 376.469 2.497 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2c3cc(Br)ccc3CC2(C)C)C1 ZINC000426029584 532401254 /nfs/dbraw/zinc/40/12/54/532401254.db2.gz QKCQLGCFJNBSNY-CRAIPNDOSA-N 1 0 396.329 2.438 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(Br)cnc2OC)C1 ZINC000624632524 532400735 /nfs/dbraw/zinc/40/07/35/532400735.db2.gz ZNDYKQPQKZAWFT-GFCCVEGCSA-N 1 0 385.306 2.384 20 0 GEADRO C[C@@H]1[C@H](C(=O)NCc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000648834091 532402655 /nfs/dbraw/zinc/40/26/55/532402655.db2.gz PCKLDVBYJPVCQC-CZUORRHYSA-N 1 0 396.329 2.242 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C1 ZINC000464648541 532401781 /nfs/dbraw/zinc/40/17/81/532401781.db2.gz FODFLNNPBGLYAP-AWEZNQCLSA-N 1 0 384.318 2.191 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Br)cc2C)CC1 ZINC000559412138 532402102 /nfs/dbraw/zinc/40/21/02/532402102.db2.gz NVRWAVCHQITPHT-UHFFFAOYSA-N 1 0 396.329 2.316 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426084042 532402116 /nfs/dbraw/zinc/40/21/16/532402116.db2.gz JIWMWXVYIUTCPD-HNNXBMFYSA-N 1 0 380.286 2.439 20 0 GEADRO CCC(F)(F)C(C)(C)CS(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000625016948 532403930 /nfs/dbraw/zinc/40/39/30/532403930.db2.gz IODKWNNWTNWXIX-OAHLLOKOSA-N 1 0 383.549 2.249 20 0 GEADRO O=C(NCC[NH2+]C1CC1)Nc1cc(F)c(I)c(F)c1 ZINC000591284696 532404487 /nfs/dbraw/zinc/40/44/87/532404487.db2.gz NJLKBVVVDQKDSH-UHFFFAOYSA-N 1 0 381.164 2.443 20 0 GEADRO Cc1ccc(OCCC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(Br)c1 ZINC000372729866 532404825 /nfs/dbraw/zinc/40/48/25/532404825.db2.gz VQSGJAORUSEHHA-HNNXBMFYSA-N 1 0 399.329 2.442 20 0 GEADRO COc1ccc(I)c(NC(=O)NCC[NH2+]C2CC2)c1 ZINC000591282895 532404876 /nfs/dbraw/zinc/40/48/76/532404876.db2.gz YCXITTKBPFCBKZ-UHFFFAOYSA-N 1 0 375.210 2.173 20 0 GEADRO Cn1c2ccc(C[NH2+]Cc3cccc(CS(C)(=O)=O)c3)cc2sc1=O ZINC000192531149 532405226 /nfs/dbraw/zinc/40/52/26/532405226.db2.gz SCCJASHNJZLCSO-UHFFFAOYSA-N 1 0 376.503 2.434 20 0 GEADRO CCSCC[C@H](C)N(C)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000192743136 532406965 /nfs/dbraw/zinc/40/69/65/532406965.db2.gz GYMDPTNWQPRKCA-ZDUSSCGKSA-N 1 0 376.592 2.214 20 0 GEADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1Cl ZINC000679681637 532407333 /nfs/dbraw/zinc/40/73/33/532407333.db2.gz OPDCDHUGBYGBRY-LLVKDONJSA-N 1 0 375.803 2.471 20 0 GEADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000648883261 532406442 /nfs/dbraw/zinc/40/64/42/532406442.db2.gz WIKLDXMCEVJSRO-KCPJHIHWSA-N 1 0 380.286 2.011 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCN1C ZINC000517231141 532409325 /nfs/dbraw/zinc/40/93/25/532409325.db2.gz SNPUJAIQGFIXNS-TZMCWYRMSA-N 1 0 375.332 2.295 20 0 GEADRO C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cn1 ZINC000280247928 532410624 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COc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000517176789 532408622 /nfs/dbraw/zinc/40/86/22/532408622.db2.gz FQRIGTSRJQPFAM-JOYOIKCWSA-N 1 0 395.294 2.487 20 0 GEADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccnc1OCC(F)F ZINC000625110237 532408977 /nfs/dbraw/zinc/40/89/77/532408977.db2.gz ASNOMNJPLRTLHE-GFCCVEGCSA-N 1 0 377.457 2.076 20 0 GEADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C2 ZINC000372786946 532409015 /nfs/dbraw/zinc/40/90/15/532409015.db2.gz RSDYPPNSSSNNQD-YJBOKZPZSA-N 1 0 394.313 2.299 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)C1 ZINC000464962377 532409065 /nfs/dbraw/zinc/40/90/65/532409065.db2.gz RUXRCMWSGGXVNS-GFCCVEGCSA-N 1 0 386.290 2.057 20 0 GEADRO CC(C)(O)C[NH+]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625132498 532411254 /nfs/dbraw/zinc/41/12/54/532411254.db2.gz GPZAHMHEHNYITR-INIZCTEOSA-N 1 0 396.329 2.091 20 0 GEADRO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccncc2Br)ncn1 ZINC000625138704 532413110 /nfs/dbraw/zinc/41/31/10/532413110.db2.gz CFSBVXBTFUSYGQ-ZDUSSCGKSA-N 1 0 377.290 2.434 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1)C1CC1 ZINC000560050061 532411459 /nfs/dbraw/zinc/41/14/59/532411459.db2.gz YLKHMGSFTACHRN-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000192807166 532411725 /nfs/dbraw/zinc/41/17/25/532411725.db2.gz GMEHWOHFOPACAZ-GFCCVEGCSA-N 1 0 376.906 2.367 20 0 GEADRO CC(C)Cc1ncnc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1I ZINC000591434909 532411715 /nfs/dbraw/zinc/41/17/15/532411715.db2.gz LHHPZTKQMJDYKH-SRVKXCTJSA-N 1 0 386.281 2.453 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ccc(I)cn2)CC1 ZINC000591445973 532412326 /nfs/dbraw/zinc/41/23/26/532412326.db2.gz HFACLNSPNYSCFJ-HIFRSBDPSA-N 1 0 387.265 2.409 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cccc(Br)c1 ZINC000591398145 532410698 /nfs/dbraw/zinc/41/06/98/532410698.db2.gz KEFVJXFAMLRGLL-UHFFFAOYSA-N 1 0 393.347 2.428 20 0 GEADRO O=C(NCC[NH+]1CCCC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000192998410 532414284 /nfs/dbraw/zinc/41/42/84/532414284.db2.gz ATXMHDSLMKBWDL-CYBMUJFWSA-N 1 0 380.286 2.014 20 0 GEADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ncccc1Br ZINC000517446204 532416985 /nfs/dbraw/zinc/41/69/85/532416985.db2.gz FAYOZHMIOAJSGV-UHFFFAOYSA-N 1 0 379.258 2.110 20 0 GEADRO COc1cc(CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc(Br)c1OC ZINC000280948398 532417126 /nfs/dbraw/zinc/41/71/26/532417126.db2.gz XDPBCJUAYRHUKX-PXAZEXFGSA-N 1 0 383.286 2.472 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Br)ccc1OC(F)F ZINC000649216272 532417627 /nfs/dbraw/zinc/41/76/27/532417627.db2.gz IVNVCXKASNCQTR-OAHLLOKOSA-N 1 0 395.244 2.483 20 0 GEADRO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(I)cc1 ZINC000591660396 532417805 /nfs/dbraw/zinc/41/78/05/532417805.db2.gz KVEWOYAJHSCVED-OLZOCXBDSA-N 1 0 386.233 2.479 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193024222 532417949 /nfs/dbraw/zinc/41/79/49/532417949.db2.gz HFEWKYNYNCHPGB-LBPRGKRZSA-N 1 0 395.297 2.363 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCC[N@@H+](C)C3)nc12 ZINC000680555709 532418126 /nfs/dbraw/zinc/41/81/26/532418126.db2.gz WVVDLEUDPNKHHW-ZDUSSCGKSA-N 1 0 380.290 2.299 20 0 GEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372925705 532418263 /nfs/dbraw/zinc/41/82/63/532418263.db2.gz RWJBXHRIQZZOCS-CYBMUJFWSA-N 1 0 388.917 2.482 20 0 GEADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000591766205 532421005 /nfs/dbraw/zinc/42/10/05/532421005.db2.gz PLNGNMAHNHNKIA-NOZJJQNGSA-N 1 0 376.222 2.316 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000681193193 532423685 /nfs/dbraw/zinc/42/36/85/532423685.db2.gz SMHYEDCNLXRAQH-HNNXBMFYSA-N 1 0 382.302 2.170 20 0 GEADRO C[NH+](C)CCN1CCN(Cc2ccc(Br)c3cccnc23)CC1=O ZINC000649686032 532422909 /nfs/dbraw/zinc/42/29/09/532422909.db2.gz VVUUCYLXWIRWSB-UHFFFAOYSA-N 1 0 391.313 2.203 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000466226467 532422947 /nfs/dbraw/zinc/42/29/47/532422947.db2.gz NIDAMKJNFOSNPB-IAQYHMDHSA-N 1 0 392.301 2.379 20 0 GEADRO COCC[NH2+]CCNS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000193363596 532422934 /nfs/dbraw/zinc/42/29/34/532422934.db2.gz LMQSZFGIQPUVTH-UHFFFAOYSA-N 1 0 387.299 2.117 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000372991591 532423347 /nfs/dbraw/zinc/42/33/47/532423347.db2.gz GDNMGGRRZJSGTD-CQSZACIVSA-N 1 0 385.917 2.123 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193361509 532421626 /nfs/dbraw/zinc/42/16/26/532421626.db2.gz HFFWPJFSWYFXBF-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000193353261 532421837 /nfs/dbraw/zinc/42/18/37/532421837.db2.gz AZPRBEYFMWQBTE-JTQLQIEISA-N 1 0 387.221 2.498 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ncc1Br ZINC000193375830 532421878 /nfs/dbraw/zinc/42/18/78/532421878.db2.gz JCPGLWWSPYKSLA-YHWZYXNKSA-N 1 0 395.301 2.223 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCSCC2)[C@H]1c1cccs1 ZINC000465914286 532422193 /nfs/dbraw/zinc/42/21/93/532422193.db2.gz ALRFTYIHJRQZDN-RDJZCZTQSA-N 1 0 382.599 2.479 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427438006 532425107 /nfs/dbraw/zinc/42/51/07/532425107.db2.gz BGBZZPKECJUARA-RHSMWYFYSA-N 1 0 381.314 2.343 20 0 GEADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000193519915 532425131 /nfs/dbraw/zinc/42/51/31/532425131.db2.gz ATSJQFKIZHUURA-RISCZKNCSA-N 1 0 387.933 2.287 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)n1 ZINC000193534289 532425641 /nfs/dbraw/zinc/42/56/41/532425641.db2.gz KZZURBOZAHLAIJ-AWEZNQCLSA-N 1 0 379.258 2.149 20 0 GEADRO COc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)ccc1Br ZINC000625420504 532426205 /nfs/dbraw/zinc/42/62/05/532426205.db2.gz GRVGWVQPINKABG-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000561020203 532426623 /nfs/dbraw/zinc/42/66/23/532426623.db2.gz HXRWEBOPLVDLEK-LLVKDONJSA-N 1 0 379.262 2.151 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000561014264 532426645 /nfs/dbraw/zinc/42/66/45/532426645.db2.gz ZAETUNCXTPPYME-LLVKDONJSA-N 1 0 390.347 2.316 20 0 GEADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373053924 532428931 /nfs/dbraw/zinc/42/89/31/532428931.db2.gz GNIZUDZQCCOMKT-MLGOLLRUSA-N 1 0 375.270 2.459 20 0 GEADRO C[NH2+]C1CCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000373030136 532427295 /nfs/dbraw/zinc/42/72/95/532427295.db2.gz RJFHMYJMBJVONP-ZDUSSCGKSA-N 1 0 381.318 2.271 20 0 GEADRO Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccnn2CC[NH+](C)C)c1 ZINC000295265298 532427366 /nfs/dbraw/zinc/42/73/66/532427366.db2.gz YNRPXZKOGHHTGQ-UHFFFAOYSA-N 1 0 387.303 2.316 20 0 GEADRO COCC[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cc2)C(C)(C)C1 ZINC000649849974 532429066 /nfs/dbraw/zinc/42/90/66/532429066.db2.gz RTYVWOMLRVLWDG-UHFFFAOYSA-N 1 0 384.318 2.430 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000427589602 532427814 /nfs/dbraw/zinc/42/78/14/532427814.db2.gz RVUXGJVYOISIMD-RISCZKNCSA-N 1 0 383.290 2.075 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CSCc1cccc(Cl)c1 ZINC000193683235 532429179 /nfs/dbraw/zinc/42/91/79/532429179.db2.gz SAMKZQVZRDHNGI-INIZCTEOSA-N 1 0 383.945 2.419 20 0 GEADRO CCn1cnnc1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000681391890 532429304 /nfs/dbraw/zinc/42/93/04/532429304.db2.gz GJHRDGJTXRZGFA-CYBMUJFWSA-N 1 0 399.314 2.111 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CSCc1ccc(Cl)cc1 ZINC000193683254 532429378 /nfs/dbraw/zinc/42/93/78/532429378.db2.gz USKKBEYGEDOZAS-MRXNPFEDSA-N 1 0 383.945 2.419 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373065426 532430156 /nfs/dbraw/zinc/43/01/56/532430156.db2.gz GWGGIHPPABHZCY-FDQNRYPESA-N 1 0 393.281 2.444 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C1)C1CCC1 ZINC000373100985 532431050 /nfs/dbraw/zinc/43/10/50/532431050.db2.gz VQIFZLSIXSFEIU-HZPDHXFCSA-N 1 0 397.313 2.179 20 0 GEADRO Cc1c(Br)cccc1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193703994 532431396 /nfs/dbraw/zinc/43/13/96/532431396.db2.gz ZERYASFAFYCRFU-ZDUSSCGKSA-N 1 0 382.302 2.217 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000193693762 532431565 /nfs/dbraw/zinc/43/15/65/532431565.db2.gz BFASXRWPRMVSAY-FSNWXROXSA-N 1 0 394.313 2.308 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C1)C1CCC1 ZINC000373100982 532431549 /nfs/dbraw/zinc/43/15/49/532431549.db2.gz VQIFZLSIXSFEIU-HOTGVXAUSA-N 1 0 397.313 2.179 20 0 GEADRO C[NH+](C)CCn1nnnc1SCCOc1ccc(OC(F)(F)F)cc1 ZINC000466642216 532431673 /nfs/dbraw/zinc/43/16/73/532431673.db2.gz PJUQFKSTOOVBSM-UHFFFAOYSA-N 1 0 377.392 2.304 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)C[C@@H]1O ZINC000517961487 532432011 /nfs/dbraw/zinc/43/20/11/532432011.db2.gz WFHWHLXOOIAFEQ-HOTGVXAUSA-N 1 0 385.302 2.132 20 0 GEADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000626153495 532435941 /nfs/dbraw/zinc/43/59/41/532435941.db2.gz KKCCKQCUWKGSCK-JKSUJKDBSA-N 1 0 385.302 2.179 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1Br ZINC000373164384 532436656 /nfs/dbraw/zinc/43/66/56/532436656.db2.gz OKJDOTJEOZXBRV-GFCCVEGCSA-N 1 0 395.301 2.224 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000518036664 532433515 /nfs/dbraw/zinc/43/35/15/532433515.db2.gz YEJDUZZQSLRNOO-COXVUDFISA-N 1 0 380.330 2.305 20 0 GEADRO C[NH+]1CCN(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000193878327 532433723 /nfs/dbraw/zinc/43/37/23/532433723.db2.gz ASJSLSDLTRUXSB-UHFFFAOYSA-N 1 0 386.732 2.173 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)C1(CC)CC ZINC000518000655 532434362 /nfs/dbraw/zinc/43/43/62/532434362.db2.gz SVSLHDCRPNWPMI-GVDBMIGSSA-N 1 0 375.579 2.221 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000427927836 532437420 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CSc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000626835213 532442557 /nfs/dbraw/zinc/44/25/57/532442557.db2.gz DGBVQVFSJLWWRD-SNVBAGLBSA-N 1 0 386.315 2.368 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000626837262 532442640 /nfs/dbraw/zinc/44/26/40/532442640.db2.gz PMEBLTSVPYINNU-GXFFZTMASA-N 1 0 398.326 2.320 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCC1 ZINC000682168653 532442703 /nfs/dbraw/zinc/44/27/03/532442703.db2.gz NSOHTRBERAWQTN-CYBMUJFWSA-N 1 0 394.313 2.403 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000626847780 532443157 /nfs/dbraw/zinc/44/31/57/532443157.db2.gz ZRSZARHGVHNYFP-CQSZACIVSA-N 1 0 386.265 2.292 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000373344189 532443839 /nfs/dbraw/zinc/44/38/39/532443839.db2.gz HPFUBVWZELWUIO-YOGCLGLASA-N 1 0 398.244 2.353 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCN3C(=S)N=NC3c3cccs3)C2)C1 ZINC000295408539 532443941 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CSc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000626838986 532441677 /nfs/dbraw/zinc/44/16/77/532441677.db2.gz WXQUQBFNBNMRBL-ZJUUUORDSA-N 1 0 386.315 2.353 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626836030 532441857 /nfs/dbraw/zinc/44/18/57/532441857.db2.gz PJGSMNHHFMFQSI-CPCISQLKSA-N 1 0 392.656 2.437 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1Br ZINC000626838306 532442016 /nfs/dbraw/zinc/44/20/16/532442016.db2.gz DWGRGZUGXTVMER-UHFFFAOYSA-N 1 0 386.315 2.320 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682443026 532446894 /nfs/dbraw/zinc/44/68/94/532446894.db2.gz DQULXNJDXQWSFV-UHFFFAOYSA-N 1 0 388.737 2.351 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C[NH2+]1 ZINC000626945268 532447050 /nfs/dbraw/zinc/44/70/50/532447050.db2.gz AOBJUJOENXHHII-FZMZJTMJSA-N 1 0 383.290 2.217 20 0 GEADRO CC(C)[C@H]1CN(c2c(F)cc(S(N)(=O)=O)cc2Br)CCN1C ZINC000428252097 532447272 /nfs/dbraw/zinc/44/72/72/532447272.db2.gz DZERELLTBOVIIL-CYBMUJFWSA-N 1 0 394.310 2.012 20 0 GEADRO CN(CCOCC[NH3+])C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000626946387 532447353 /nfs/dbraw/zinc/44/73/53/532447353.db2.gz PTHQUFWNXZOMFH-UHFFFAOYSA-N 1 0 384.318 2.488 20 0 GEADRO C[C@H](C(=O)N[C@H]1CSc2ccc(Br)cc21)N1CCN(C)CC1 ZINC000428209398 532447352 /nfs/dbraw/zinc/44/73/52/532447352.db2.gz POYMGOWPHHWESR-RISCZKNCSA-N 1 0 384.343 2.348 20 0 GEADRO CCc1nnc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000373410581 532447342 /nfs/dbraw/zinc/44/73/42/532447342.db2.gz BFVBHNZYJSZLNW-UHFFFAOYSA-N 1 0 377.436 3.027 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2cccc(Br)c2)CC1 ZINC000518815365 532447508 /nfs/dbraw/zinc/44/75/08/532447508.db2.gz QOKVXUFNNMTSDH-UHFFFAOYSA-N 1 0 396.329 2.051 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627271011 532447956 /nfs/dbraw/zinc/44/79/56/532447956.db2.gz PPQLFMNMWXODMC-OLZOCXBDSA-N 1 0 383.286 2.047 20 0 GEADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270745 532448677 /nfs/dbraw/zinc/44/86/77/532448677.db2.gz MBQGKIWKJVUNFQ-HUUCEWRRSA-N 1 0 397.313 2.274 20 0 GEADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)C1(Cc2ccccc2Br)CC1 ZINC000627266740 532449085 /nfs/dbraw/zinc/44/90/85/532449085.db2.gz FHZCQTOORWYYRH-HZPDHXFCSA-N 1 0 393.325 2.439 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626921060 532446137 /nfs/dbraw/zinc/44/61/37/532446137.db2.gz HLVAHYXKENFUOP-YPMHNXCESA-N 1 0 383.290 2.136 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592373446 532452063 /nfs/dbraw/zinc/45/20/63/532452063.db2.gz VWKGNPCPIPRACS-UHFFFAOYSA-N 1 0 388.306 2.411 20 0 GEADRO O=C(c1nc2ccccc2cc1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627267083 532449217 /nfs/dbraw/zinc/44/92/17/532449217.db2.gz JOKLCXIQFWMDGT-KGLIPLIRSA-N 1 0 390.281 2.278 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000467536072 532449354 /nfs/dbraw/zinc/44/93/54/532449354.db2.gz OWUGRGJIVGISOH-ZDUSSCGKSA-N 1 0 385.302 2.179 20 0 GEADRO O=C(c1cc2c(Br)cccc2cn1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627267623 532449696 /nfs/dbraw/zinc/44/96/96/532449696.db2.gz QEMMXPXAJAVOFY-UONOGXRCSA-N 1 0 390.281 2.278 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)NC[C@@H]1CCC[N@H+]1CCCO ZINC000650584617 532450151 /nfs/dbraw/zinc/45/01/51/532450151.db2.gz ZNABIZPHTHTROL-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000561750258 532450200 /nfs/dbraw/zinc/45/02/00/532450200.db2.gz UJZRLETYKGBLPT-AWEZNQCLSA-N 1 0 379.448 2.456 20 0 GEADRO CN1CC[C@@H](NC(=O)NC[C@@H](O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000682878358 532450163 /nfs/dbraw/zinc/45/01/63/532450163.db2.gz DVZYORQVIWBRIT-UPJWGTAASA-N 1 0 383.773 2.447 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194480289 532450567 /nfs/dbraw/zinc/45/05/67/532450567.db2.gz PKOGUBZQIGUQGX-NVXWUHKLSA-N 1 0 397.313 2.106 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000561757542 532450873 /nfs/dbraw/zinc/45/08/73/532450873.db2.gz KCPZJHBWJMVLJN-GFCCVEGCSA-N 1 0 397.875 2.302 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000518974378 532451454 /nfs/dbraw/zinc/45/14/54/532451454.db2.gz HYWTWGMHEFTRLQ-INIZCTEOSA-N 1 0 394.313 2.023 20 0 GEADRO O=C(CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Br)cc1 ZINC000194488251 532452641 /nfs/dbraw/zinc/45/26/41/532452641.db2.gz WMMOCLGYLTVQIA-GFCCVEGCSA-N 1 0 395.301 2.171 20 0 GEADRO CC(C)(NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1nc(C(F)(F)F)cs1 ZINC000467716925 532452971 /nfs/dbraw/zinc/45/29/71/532452971.db2.gz ZZJUVYZUCJXLGJ-PBINXNQUSA-N 1 0 375.416 2.328 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467711577 532453314 /nfs/dbraw/zinc/45/33/14/532453314.db2.gz UYCDCBJHZGNFBK-AGUYFDCRSA-N 1 0 379.298 2.497 20 0 GEADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467705971 532453531 /nfs/dbraw/zinc/45/35/31/532453531.db2.gz PNRBWKBJLZUAAY-XQERAMJGSA-N 1 0 377.282 2.367 20 0 GEADRO C[NH+](C)CCOc1cc(C(=O)NCc2cc(Br)ccn2)ccn1 ZINC000295497639 532453535 /nfs/dbraw/zinc/45/35/35/532453535.db2.gz DIAOZFIHQIEVRT-UHFFFAOYSA-N 1 0 379.258 2.110 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000194774972 532455500 /nfs/dbraw/zinc/45/55/00/532455500.db2.gz BSHRWDPPHHPLND-AWEZNQCLSA-N 1 0 390.347 2.311 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1Br ZINC000373528044 532455898 /nfs/dbraw/zinc/45/58/98/532455898.db2.gz RJINHLBDDAYZDA-LNSITVRQSA-N 1 0 380.286 2.414 20 0 GEADRO O=C(C[C@H]1CCC[NH2+]CC1)NCCNC(=O)c1ccc(Br)cc1 ZINC000373518415 532455970 /nfs/dbraw/zinc/45/59/70/532455970.db2.gz XHGILTOJXNZQFY-ZDUSSCGKSA-N 1 0 382.302 2.075 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000194917110 532462563 /nfs/dbraw/zinc/46/25/63/532462563.db2.gz IEVCMUDRAFGXLW-SNVBAGLBSA-N 1 0 380.242 2.300 20 0 GEADRO O=S(=O)(NCCC[NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1Cl ZINC000519142969 532458398 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O=S(=O)(CC[NH2+]C1CCN(c2nccs2)CC1)CCc1ccccc1 ZINC000282693938 532490101 /nfs/dbraw/zinc/49/01/01/532490101.db2.gz KMSJPWCYCROBIN-UHFFFAOYSA-N 1 0 379.551 2.359 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(Br)c2c1OCCC2 ZINC000685200564 532491094 /nfs/dbraw/zinc/49/10/94/532491094.db2.gz SSYGNDBMSAFBAC-UHFFFAOYSA-N 1 0 398.345 2.387 20 0 GEADRO Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)C2CC[NH+](C(C)C)CC2)s1 ZINC000469101416 532491716 /nfs/dbraw/zinc/49/17/16/532491716.db2.gz UNIPPLYCMMKDAR-CQSZACIVSA-N 1 0 382.555 2.412 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000236799359 532497213 /nfs/dbraw/zinc/49/72/13/532497213.db2.gz YRWFEOFATFJZFV-GFCCVEGCSA-N 1 0 382.302 2.436 20 0 GEADRO C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1Br)c1ncnn1C ZINC000563002624 532492502 /nfs/dbraw/zinc/49/25/02/532492502.db2.gz IKQXUEBZWORLPP-KOLCDFICSA-N 1 0 389.681 2.322 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000236664447 532492515 /nfs/dbraw/zinc/49/25/15/532492515.db2.gz 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[NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000238035387 532517046 /nfs/dbraw/zinc/51/70/46/532517046.db2.gz WNXKIMBASDADOA-IMJJTQAJSA-N 1 0 394.313 2.297 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000238059147 532517102 /nfs/dbraw/zinc/51/71/02/532517102.db2.gz VGGREBKHMURIPL-LBPRGKRZSA-N 1 0 383.290 2.158 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000652675255 532517241 /nfs/dbraw/zinc/51/72/41/532517241.db2.gz ROVOQTXDFGLVBV-UHFFFAOYSA-N 1 0 380.901 2.072 20 0 GEADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000296384262 532517901 /nfs/dbraw/zinc/51/79/01/532517901.db2.gz JTDAZIUEYPTVJT-APPDUMDISA-N 1 0 384.498 2.458 20 0 GEADRO O=C([C@H]1CCCN(Cc2ccc(Br)cc2F)C1)N1CC[NH2+]CC1 ZINC000470012922 532518117 /nfs/dbraw/zinc/51/81/17/532518117.db2.gz UEWNSNYMUBVBDM-AWEZNQCLSA-N 1 0 384.293 2.232 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCC(C[NH2+]C)CC2)cc1Br ZINC000236860818 532497869 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CCCC[C@@H](C[NH3+])NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000236886687 532499968 /nfs/dbraw/zinc/49/99/68/532499968.db2.gz OUQNHGXQGPUUHA-AWEZNQCLSA-N 1 0 387.571 2.416 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000296400754 532519387 /nfs/dbraw/zinc/51/93/87/532519387.db2.gz LODYUOOBVOOCEL-KBPBESRZSA-N 1 0 385.302 2.443 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1Cl ZINC000236969885 532500641 /nfs/dbraw/zinc/50/06/41/532500641.db2.gz YSYXGPZMDQZROL-OLZOCXBDSA-N 1 0 387.933 2.193 20 0 GEADRO CCN1C[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1=O ZINC000651999416 532501568 /nfs/dbraw/zinc/50/15/68/532501568.db2.gz MCCMOSHIFVMOSV-CQSZACIVSA-N 1 0 396.329 2.244 20 0 GEADRO C[C@H](c1cccs1)N(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629791252 532501670 /nfs/dbraw/zinc/50/16/70/532501670.db2.gz UJEXAZFZLWLBOQ-GRYCIOLGSA-N 1 0 377.432 2.253 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000593907328 532501658 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376.906 2.126 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1Cc1cc(I)c(OC)c(OC)c1 ZINC000435390794 532614715 /nfs/dbraw/zinc/61/47/15/532614715.db2.gz UCWZXRIHQYFYQK-LBPRGKRZSA-N 1 0 390.265 2.492 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CCOCC1 ZINC000474381869 532615203 /nfs/dbraw/zinc/61/52/03/532615203.db2.gz YRPPDPCODWIWQT-GOSISDBHSA-N 1 0 399.329 2.163 20 0 GEADRO CC[N@H+](CCNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)C(C)C ZINC000474404620 532616643 /nfs/dbraw/zinc/61/66/43/532616643.db2.gz XRWTYWQUIIIQSZ-AWEZNQCLSA-N 1 0 385.306 2.005 20 0 GEADRO O=C(N[C@H]1CCSC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000284748520 532617664 /nfs/dbraw/zinc/61/76/64/532617664.db2.gz QGWSFJSXOATGAH-INIZCTEOSA-N 1 0 381.929 2.042 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCn2cc(Br)cn2)CC1 ZINC000566580494 532617823 /nfs/dbraw/zinc/61/78/23/532617823.db2.gz WJCDHEGSHLYICL-UHFFFAOYSA-N 1 0 386.338 2.407 20 0 GEADRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2I)CC1(C)C ZINC000566569645 532617992 /nfs/dbraw/zinc/61/79/92/532617992.db2.gz 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CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000284800877 532621225 /nfs/dbraw/zinc/62/12/25/532621225.db2.gz PLZRVVUJISVJPJ-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO CC(C)(CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000566168032 532596251 /nfs/dbraw/zinc/59/62/51/532596251.db2.gz NXACREQDPZEMCO-OAHLLOKOSA-N 1 0 396.329 2.101 20 0 GEADRO C[C@@H]1CN(C2CCOCC2)CCN1S(=O)(=O)C[C@@H]1CCCC(F)(F)C1 ZINC000632285049 532596966 /nfs/dbraw/zinc/59/69/66/532596966.db2.gz BJOMKLLMLDCUQE-HUUCEWRRSA-N 1 0 380.501 2.327 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000566171931 532597781 /nfs/dbraw/zinc/59/77/81/532597781.db2.gz GXKGETBUZJMJAF-LLVKDONJSA-N 1 0 384.458 2.189 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000529376653 532598051 /nfs/dbraw/zinc/59/80/51/532598051.db2.gz LYMZRCIUWYPMHT-DOMZBBRYSA-N 1 0 386.265 2.423 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000529379161 532598460 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CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000566196152 532600481 /nfs/dbraw/zinc/60/04/81/532600481.db2.gz CQKRSLIIOCYQLE-SWLSCSKDSA-N 1 0 382.302 2.367 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262785018 532600796 /nfs/dbraw/zinc/60/07/96/532600796.db2.gz PXTPVIOBBOJVAX-YNEHKIRRSA-N 1 0 376.906 2.125 20 0 GEADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000434715453 532600869 /nfs/dbraw/zinc/60/08/69/532600869.db2.gz YWLWFSGOPVFYKO-RISCZKNCSA-N 1 0 383.290 2.217 20 0 GEADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)C1CC1 ZINC000262792666 532601358 /nfs/dbraw/zinc/60/13/58/532601358.db2.gz SBLKSGUZOWHMMK-CABCVRRESA-N 1 0 388.917 2.304 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000262775150 532601492 /nfs/dbraw/zinc/60/14/92/532601492.db2.gz XDLKDDDGZFTZFZ-GXSJLCMTSA-N 1 0 377.869 2.185 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000566237222 532601780 /nfs/dbraw/zinc/60/17/80/532601780.db2.gz MXLRHGKSHSCBAG-YNEHKIRRSA-N 1 0 384.318 2.128 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000473907104 532601924 /nfs/dbraw/zinc/60/19/24/532601924.db2.gz PYYTVVGZNIQVRS-UHFFFAOYSA-N 1 0 380.290 2.332 20 0 GEADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566244511 532602194 /nfs/dbraw/zinc/60/21/94/532602194.db2.gz GRMYAMCMFTVUNV-NEPJUHHUSA-N 1 0 376.254 2.257 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1cccc(Br)c1 ZINC000297689659 532602547 /nfs/dbraw/zinc/60/25/47/532602547.db2.gz XNYRLBAERBBWPY-OAHLLOKOSA-N 1 0 397.361 2.317 20 0 GEADRO O[C@H](C[NH2+]Cc1cn2cccnc2n1)COc1ccccc1Br ZINC000297684438 532602608 /nfs/dbraw/zinc/60/26/08/532602608.db2.gz PLGPTPKYNCJSGT-CYBMUJFWSA-N 1 0 377.242 2.021 20 0 GEADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCNc2ncc(Cl)cc2Cl)C1(C)C ZINC000262821917 532602667 /nfs/dbraw/zinc/60/26/67/532602667.db2.gz YNWKAHUWFWKNQR-MLGOLLRUSA-N 1 0 375.300 2.449 20 0 GEADRO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000434782418 532603259 /nfs/dbraw/zinc/60/32/59/532603259.db2.gz GGTCGSQPMGNTRB-LSDHHAIUSA-N 1 0 392.315 2.006 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Br)c(F)c1F ZINC000529444522 532603609 /nfs/dbraw/zinc/60/36/09/532603609.db2.gz SYSWZEXVSNKADS-SNVBAGLBSA-N 1 0 377.229 2.304 20 0 GEADRO C[NH+](C)CCNC(=O)NCc1cc(Cl)ccc1I ZINC000596674290 532603588 /nfs/dbraw/zinc/60/35/88/532603588.db2.gz RUCCOIUDHFWERG-UHFFFAOYSA-N 1 0 381.645 2.305 20 0 GEADRO Cc1nc([C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c2ccc(Cl)cc2)no1 ZINC000655925808 532603668 /nfs/dbraw/zinc/60/36/68/532603668.db2.gz BECPMNIIFGVHGE-GHMZBOCLSA-N 1 0 377.754 2.310 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)C(F)(F)F ZINC000655926736 532603790 /nfs/dbraw/zinc/60/37/90/532603790.db2.gz FRZNNQNNUJFXOE-ZYHUDNBSSA-N 1 0 395.223 2.217 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000262832594 532603892 /nfs/dbraw/zinc/60/38/92/532603892.db2.gz QNGFBDIMYCPKBF-WCQYABFASA-N 1 0 399.563 2.016 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2cc(F)c(F)cc2I)CC[NH2+]1 ZINC000262847853 532604164 /nfs/dbraw/zinc/60/41/64/532604164.db2.gz JPOBOTMKNBAXAB-YUMQZZPRSA-N 1 0 380.176 2.440 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2cc3cscc3s2)(N2CCOCC2)CC1 ZINC000529487923 532604517 /nfs/dbraw/zinc/60/45/17/532604517.db2.gz WKYBBKIFFMLPGN-UHFFFAOYSA-N 1 0 379.551 2.489 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1nccs1 ZINC000284592995 532604576 /nfs/dbraw/zinc/60/45/76/532604576.db2.gz XBXBFYZAITXZGJ-QWHCGFSZSA-N 1 0 380.539 2.186 20 0 GEADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(O)ccc2Br)CCC(=O)N1C ZINC000284597739 532604589 /nfs/dbraw/zinc/60/45/89/532604589.db2.gz QSMXTTWORFDWMR-RHSMWYFYSA-N 1 0 393.285 2.340 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cccc(F)c1I ZINC000596808676 532604891 /nfs/dbraw/zinc/60/48/91/532604891.db2.gz DOQGPLUARVILTB-UHFFFAOYSA-N 1 0 377.201 2.456 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]1 ZINC000262876895 532604910 /nfs/dbraw/zinc/60/49/10/532604910.db2.gz MYLFXSNYVQQIBP-OSAQELSMSA-N 1 0 380.286 2.059 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ccncc1I ZINC000596826569 532605246 /nfs/dbraw/zinc/60/52/46/532605246.db2.gz SMHITTAWZJAMCL-JTQLQIEISA-N 1 0 388.253 2.102 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cccnc3Br)CC2)CC1 ZINC000376303911 532605672 /nfs/dbraw/zinc/60/56/72/532605672.db2.gz CJHNNCZAZPGJGF-UHFFFAOYSA-N 1 0 395.345 2.334 20 0 GEADRO C[N@H+](CC/C=C\c1ccc(Br)cc1)C[C@@H](O)CN1CCOCC1 ZINC000434995103 532606556 /nfs/dbraw/zinc/60/65/56/532606556.db2.gz GBIUDINSAFDJDF-HCABJEFNSA-N 1 0 383.330 2.477 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC[NH2+]1 ZINC000262902460 532606596 /nfs/dbraw/zinc/60/65/96/532606596.db2.gz PURYDCWKIHFWQD-AGIUHOORSA-N 1 0 380.286 2.059 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2=O)ccc1Br ZINC000262915882 532606773 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CCOc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1Br ZINC000474173138 532608796 /nfs/dbraw/zinc/60/87/96/532608796.db2.gz VQFYBJIEIMEVGP-WDEREUQCSA-N 1 0 377.304 2.219 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cccc(I)c1 ZINC000435225748 532610128 /nfs/dbraw/zinc/61/01/28/532610128.db2.gz KVSKJQZGRYZWJZ-GFCCVEGCSA-N 1 0 394.278 2.006 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000435231061 532610151 /nfs/dbraw/zinc/61/01/51/532610151.db2.gz FWVFRGVDIZBLGI-IRXDYDNUSA-N 1 0 394.313 2.369 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000566478530 532610411 /nfs/dbraw/zinc/61/04/11/532610411.db2.gz RCOLUBACOFVHJF-HNNXBMFYSA-N 1 0 394.313 2.069 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1F ZINC000597136512 532611367 /nfs/dbraw/zinc/61/13/67/532611367.db2.gz YZFUXAYRHATHRG-UHFFFAOYSA-N 1 0 383.217 2.326 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000597125901 532611852 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O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000284719471 532613263 /nfs/dbraw/zinc/61/32/63/532613263.db2.gz JHWXEFYETDXMKK-SNVBAGLBSA-N 1 0 376.404 2.187 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656289250 532613297 /nfs/dbraw/zinc/61/32/97/532613297.db2.gz PNDMKPGCJKJIPY-HZPDHXFCSA-N 1 0 394.313 2.198 20 0 GEADRO CS[C@H](CO)[C@@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000566679568 532623001 /nfs/dbraw/zinc/62/30/01/532623001.db2.gz YYNDAQLVJAVNEL-LJWDBELGSA-N 1 0 382.295 2.030 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000474671404 532624410 /nfs/dbraw/zinc/62/44/10/532624410.db2.gz LZSKCYJQEWNWIU-BXUZGUMPSA-N 1 0 385.306 2.005 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000298096402 532624352 /nfs/dbraw/zinc/62/43/52/532624352.db2.gz UGAICGZRANYKAV-BBRMVZONSA-N 1 0 396.329 2.206 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376670854 532624467 /nfs/dbraw/zinc/62/44/67/532624467.db2.gz IBAVALSRVMPBBB-LBPRGKRZSA-N 1 0 382.555 2.252 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000376670070 532624824 /nfs/dbraw/zinc/62/48/24/532624824.db2.gz GGJDDWUIINMQDM-INIZCTEOSA-N 1 0 386.901 2.279 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000474671406 532624844 /nfs/dbraw/zinc/62/48/44/532624844.db2.gz LZSKCYJQEWNWIU-FZMZJTMJSA-N 1 0 385.306 2.005 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3nc4c(s3)CSCC4)C2)CC1 ZINC000376672082 532625070 /nfs/dbraw/zinc/62/50/70/532625070.db2.gz LGMLXBXGSHFIDS-ZDUSSCGKSA-N 1 0 381.571 2.176 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000298096411 532625462 /nfs/dbraw/zinc/62/54/62/532625462.db2.gz UGAICGZRANYKAV-XJKSGUPXSA-N 1 0 396.329 2.206 20 0 GEADRO COc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000530654647 532625579 /nfs/dbraw/zinc/62/55/79/532625579.db2.gz CCIXQVNTLXJZAV-UHFFFAOYSA-N 1 0 384.318 2.214 20 0 GEADRO C[N@@H+]1CC[C@@H]2OCCN(Cc3nc(-c4cc(Br)cs4)no3)[C@@H]2C1 ZINC000284855355 532626349 /nfs/dbraw/zinc/62/63/49/532626349.db2.gz OSKMRRDBRHQQKO-NEPJUHHUSA-N 1 0 399.314 2.466 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cn2cccnc2n1)Cc1ccccc1Br ZINC000298124380 532627399 /nfs/dbraw/zinc/62/73/99/532627399.db2.gz PNJUKCDHSWMIBF-CYBMUJFWSA-N 1 0 375.270 2.433 20 0 GEADRO Cc1cc(NC(=O)CC[NH2+][C@@H]2COc3cc(F)c(Br)cc32)no1 ZINC000566851676 532628140 /nfs/dbraw/zinc/62/81/40/532628140.db2.gz SLEPIWGPBDYYGX-GFCCVEGCSA-N 1 0 384.205 2.937 20 0 GEADRO CC(C)[NH2+]CCCN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000566849819 532628533 /nfs/dbraw/zinc/62/85/33/532628533.db2.gz MRRAJOBNEXUYEC-LLVKDONJSA-N 1 0 378.336 2.135 20 0 GEADRO O[C@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@H]1CCOC1 ZINC000474803161 532628762 /nfs/dbraw/zinc/62/87/62/532628762.db2.gz YKHDYHOQOJFCCZ-QPUJVOFHSA-N 1 0 383.176 2.056 20 0 GEADRO C[C@@H]([NH2+]C[C@H](CO)Cc1c(F)cccc1Cl)C1CCS(=O)(=O)CC1 ZINC000474815146 532629032 /nfs/dbraw/zinc/62/90/32/532629032.db2.gz 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CC[C@@H]([NH2+][C@@H](C)COCCOC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481659730 532668716 /nfs/dbraw/zinc/66/87/16/532668716.db2.gz JQHXECYDKAWRDN-SWLSCSKDSA-N 1 0 378.922 2.340 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000377750750 532668813 /nfs/dbraw/zinc/66/88/13/532668813.db2.gz WIIZSNILBDOFCK-ZDUSSCGKSA-N 1 0 392.352 2.394 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000532300065 532648913 /nfs/dbraw/zinc/64/89/13/532648913.db2.gz PSZWRXGWCPYWHQ-CQSZACIVSA-N 1 0 382.302 2.238 20 0 GEADRO O=c1c2cc(F)cc(I)c2ncn1CC[C@H]1CC[NH2+]C1 ZINC000567349993 532651283 /nfs/dbraw/zinc/65/12/83/532651283.db2.gz KVIFMGRBSHEQIH-SECBINFHSA-N 1 0 387.196 2.140 20 0 GEADRO O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632942053 532651426 /nfs/dbraw/zinc/65/14/26/532651426.db2.gz LTFRPVDPGITIMQ-GJZGRUSLSA-N 1 0 393.285 2.263 20 0 GEADRO CC[C@@H]([NH2+][C@H](CO)CCSC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481652632 532668862 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CC(C)Oc1cc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000633002700 532655074 /nfs/dbraw/zinc/65/50/74/532655074.db2.gz RLCHSPNOKYQWEY-LBPRGKRZSA-N 1 0 398.301 2.291 20 0 GEADRO Cc1nc(-c2ccc(C(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)s2)cs1 ZINC000633554854 532668977 /nfs/dbraw/zinc/66/89/77/532668977.db2.gz IWGAMOHXEBSQAZ-NSHDSACASA-N 1 0 378.523 2.372 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)[NH+]1CCCCC1 ZINC000285182003 532655888 /nfs/dbraw/zinc/65/58/88/532655888.db2.gz KVGRDUQXSJIRJX-SNVBAGLBSA-N 1 0 378.420 2.481 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000285182237 532655949 /nfs/dbraw/zinc/65/59/49/532655949.db2.gz KWTDLWRLPKBOHL-ZJUUUORDSA-N 1 0 378.420 2.289 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1Br ZINC000633009640 532656616 /nfs/dbraw/zinc/65/66/16/532656616.db2.gz VASJVPSEWFLGFW-GHMZBOCLSA-N 1 0 386.290 2.417 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1Br ZINC000633007370 532657084 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532684816 /nfs/dbraw/zinc/68/48/16/532684816.db2.gz QHIIFUGKLNJENQ-KWCYVHTRSA-N 1 0 376.881 2.351 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000535621755 532684773 /nfs/dbraw/zinc/68/47/73/532684773.db2.gz RAEFZICKKJSTKH-OLZOCXBDSA-N 1 0 384.445 2.251 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1)C1CC1 ZINC000485537519 532685216 /nfs/dbraw/zinc/68/52/16/532685216.db2.gz QYOKCYUVLVEGCK-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1sc2ncccc2c1Cl ZINC000638211288 532685388 /nfs/dbraw/zinc/68/53/88/532685388.db2.gz UAUJDAIILHEZEJ-NSHDSACASA-N 1 0 380.901 2.409 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1csc(C(F)(F)F)c1 ZINC000638221084 532685650 /nfs/dbraw/zinc/68/56/50/532685650.db2.gz VOQRSUPSIUSLJA-SECBINFHSA-N 1 0 375.338 2.333 20 0 GEADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(S(N)(=O)=O)s1 ZINC000638186740 532686088 /nfs/dbraw/zinc/68/60/88/532686088.db2.gz ZREREYPOPFMIFZ-UHFFFAOYSA-N 1 0 380.539 2.068 20 0 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20 0 GEADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000378009905 532675890 /nfs/dbraw/zinc/67/58/90/532675890.db2.gz VQYSJVAQLZASLR-BDAKNGLRSA-N 1 0 397.697 2.472 20 0 GEADRO O=C(CC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1 ZINC000483262603 532676137 /nfs/dbraw/zinc/67/61/37/532676137.db2.gz WKHUJIDOYCYHLZ-AWEZNQCLSA-N 1 0 380.794 2.231 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000285435269 532679034 /nfs/dbraw/zinc/67/90/34/532679034.db2.gz KXRNSGWEOUUXKO-UHFFFAOYSA-N 1 0 386.495 2.270 20 0 GEADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC000438880862 532679051 /nfs/dbraw/zinc/67/90/51/532679051.db2.gz AMOIZVATCHJBQL-CQSZACIVSA-N 1 0 383.857 2.228 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000661506705 532679768 /nfs/dbraw/zinc/67/97/68/532679768.db2.gz HIDCGICEDCIBKR-CQSZACIVSA-N 1 0 387.933 2.286 20 0 GEADRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000638081989 532680243 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COc1cc(NC(=O)CC[N@H+](C)[C@@H](C)C[S@@](C)=O)c(OC)cc1Cl ZINC000298872300 532681981 /nfs/dbraw/zinc/68/19/81/532681981.db2.gz JOPXSHYUQSEBBH-APXPCNQMSA-N 1 0 376.906 2.385 20 0 GEADRO CO[C@@H](C)C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000638113063 532682193 /nfs/dbraw/zinc/68/21/93/532682193.db2.gz QILUVXXBEYJHML-NSHDSACASA-N 1 0 379.320 2.342 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccncc3Br)C2)CC1 ZINC000378150981 532682253 /nfs/dbraw/zinc/68/22/53/532682253.db2.gz CTPXFYLLOBUPIM-CQSZACIVSA-N 1 0 381.318 2.085 20 0 GEADRO C[NH+](C)CCCCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000264911273 532682860 /nfs/dbraw/zinc/68/28/60/532682860.db2.gz NNBGQQHBMWYDRZ-ZDUSSCGKSA-N 1 0 382.302 2.260 20 0 GEADRO NS(=O)(=O)c1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000638178056 532683472 /nfs/dbraw/zinc/68/34/72/532683472.db2.gz DTQQSBLSWQIJOQ-PBHICJAKSA-N 1 0 383.945 2.436 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)NC1CC[NH+](CC2CC2)CC1 ZINC000299061380 532692749 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CCOC(=O)c1nc(N2CCC([NH+]3CCOCC3)CC2)ccc1Br ZINC000603407806 532694633 /nfs/dbraw/zinc/69/46/33/532694633.db2.gz XRRMQARQEDNAQJ-UHFFFAOYSA-N 1 0 398.301 2.322 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(CCO)Cc1cccc(Br)c1 ZINC000487358616 532695136 /nfs/dbraw/zinc/69/51/36/532695136.db2.gz CLISNZNYIAHIIO-OAHLLOKOSA-N 1 0 396.329 2.437 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[C@H](CO)[C@H](O)C1 ZINC000569664556 532702954 /nfs/dbraw/zinc/70/29/54/532702954.db2.gz FHWVAAQFSDNJJI-GPCCPHFNSA-N 1 0 380.794 2.361 20 0 GEADRO CN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@@H]1C[NH+]2CCC1CC2 ZINC000439538328 532696267 /nfs/dbraw/zinc/69/62/67/532696267.db2.gz ZPANMTADZGTSNN-OAHLLOKOSA-N 1 0 395.297 2.315 20 0 GEADRO CC1CCC([NH+]2CCN(C(=O)Nc3csc(S(N)(=O)=O)c3)CC2)CC1 ZINC000640750931 532697313 /nfs/dbraw/zinc/69/73/13/532697313.db2.gz RVOHSRAWLNMVEE-UHFFFAOYSA-N 1 0 386.543 2.124 20 0 GEADRO O=C(Cn1cc(CN2CCC[C@@H]2CO)nn1)Nc1cc(Cl)ccc1Cl ZINC000640759535 532697460 /nfs/dbraw/zinc/69/74/60/532697460.db2.gz USGBEPMJAVKXAF-CYBMUJFWSA-N 1 0 384.267 2.180 20 0 GEADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2csc(S(N)(=O)=O)c2)CC1 ZINC000640750966 532697631 /nfs/dbraw/zinc/69/76/31/532697631.db2.gz SPMSFGXRJCTIHE-UHFFFAOYSA-N 1 0 388.559 2.371 20 0 GEADRO O=C(Cn1cc(CN2CCC[C@H]2CO)nn1)Nc1cccc(Cl)c1Cl ZINC000640762939 532697881 /nfs/dbraw/zinc/69/78/81/532697881.db2.gz AQKFTORTFPQSDL-LBPRGKRZSA-N 1 0 384.267 2.180 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439593426 532697878 /nfs/dbraw/zinc/69/78/78/532697878.db2.gz VMTXMONBCSOJMX-CQSZACIVSA-N 1 0 380.286 2.391 20 0 GEADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000439685758 532698982 /nfs/dbraw/zinc/69/89/82/532698982.db2.gz WKRZHAKHIYOBKV-GJZGRUSLSA-N 1 0 387.571 2.042 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1nc2ncc(Br)cn2n1 ZINC000299167571 532700063 /nfs/dbraw/zinc/70/00/63/532700063.db2.gz ZFSCKXPGQMBKNT-NSHDSACASA-N 1 0 383.294 2.127 20 0 GEADRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000666287389 532700072 /nfs/dbraw/zinc/70/00/72/532700072.db2.gz RFZYPHAKABKICO-CMPLNLGQSA-N 1 0 377.304 2.001 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439605761 532700155 /nfs/dbraw/zinc/70/01/55/532700155.db2.gz BJUSXRHOMGWKPA-AWEZNQCLSA-N 1 0 380.286 2.391 20 0 GEADRO CC1CC[NH+](CCCNC(=O)Nc2cn(C)cc(Br)c2=O)CC1 ZINC000666687041 532700709 /nfs/dbraw/zinc/70/07/09/532700709.db2.gz NKPOHAMCRDVMTR-UHFFFAOYSA-N 1 0 385.306 2.391 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000604411271 532700747 /nfs/dbraw/zinc/70/07/47/532700747.db2.gz MBBSVQDZUHUQED-FUHWJXTLSA-N 1 0 375.579 2.222 20 0 GEADRO Nc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000299200824 532701827 /nfs/dbraw/zinc/70/18/27/532701827.db2.gz GBGNBEFIWUKDIK-NSHDSACASA-N 1 0 385.295 2.458 20 0 GEADRO Nc1nc(-n2cccn2)cc(N[C@H](CO)c2ccc(Br)c(F)c2)[nH+]1 ZINC000488738299 532701891 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CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3scnc3C(F)(F)F)C2)CC1 ZINC000569138910 532689476 /nfs/dbraw/zinc/68/94/76/532689476.db2.gz WGEGOUPUDSXDAA-LBPRGKRZSA-N 1 0 376.448 2.402 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)C[C@@H]1[NH+](C)C ZINC000378307302 532689651 /nfs/dbraw/zinc/68/96/51/532689651.db2.gz FZCKHIDNOZLCSP-CXUGXGMPSA-N 1 0 381.567 2.162 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000439339913 532690103 /nfs/dbraw/zinc/69/01/03/532690103.db2.gz AIQRYULYKWOKDG-JTQLQIEISA-N 1 0 375.803 2.433 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000439350008 532690226 /nfs/dbraw/zinc/69/02/26/532690226.db2.gz ZVIHKQAMBISFSV-VIFPVBQESA-N 1 0 390.228 2.218 20 0 GEADRO O=C(COc1ccccc1Br)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000378312916 532690856 /nfs/dbraw/zinc/69/08/56/532690856.db2.gz FWEKGTWNPLJQKH-GDBMZVCRSA-N 1 0 397.313 2.445 20 0 GEADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000641973579 532703701 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CCOC(=O)c1cc(C)sc1NC(=O)CN1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000537274588 532705516 /nfs/dbraw/zinc/70/55/16/532705516.db2.gz AIASZVTYANGHBC-ZIAGYGMSSA-N 1 0 385.555 2.149 20 0 GEADRO O=S(=O)(c1ccc(Br)c(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000390823198 532706054 /nfs/dbraw/zinc/70/60/54/532706054.db2.gz VXENSVLYECLRTG-UHFFFAOYSA-N 1 0 387.221 2.452 20 0 GEADRO CCCNS(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000489500508 532706651 /nfs/dbraw/zinc/70/66/51/532706651.db2.gz UZGMYBRUDUVXBS-UHFFFAOYSA-N 1 0 375.922 2.017 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1 ZINC000666923280 532706805 /nfs/dbraw/zinc/70/68/05/532706805.db2.gz HYVBRFIDQXDFQC-NVXWUHKLSA-N 1 0 398.345 2.384 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2c[nH]c(=O)c(Br)c2)Cc2ccccc2C1 ZINC000607912027 532706955 /nfs/dbraw/zinc/70/69/55/532706955.db2.gz ZFAJBLRBYVKCMG-UHFFFAOYSA-N 1 0 390.281 2.379 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000666923683 532707047 /nfs/dbraw/zinc/70/70/47/532707047.db2.gz PRMDSWDOCGRNRA-GOEBONIOSA-N 1 0 398.345 2.384 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000266204308 532707072 /nfs/dbraw/zinc/70/70/72/532707072.db2.gz LJWGNGQSZHAIEQ-GFCCVEGCSA-N 1 0 378.416 2.390 20 0 GEADRO CC(C)[C@@H]([NH3+])c1cn(CC(=O)N(C)Cc2ccccc2Br)nn1 ZINC000391165254 532707471 /nfs/dbraw/zinc/70/74/71/532707471.db2.gz OSVMNVQYPFXHQK-MRXNPFEDSA-N 1 0 380.290 2.355 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1sccc1Br ZINC000285788894 532707822 /nfs/dbraw/zinc/70/78/22/532707822.db2.gz GDQAJEVDAADJIW-LLVKDONJSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1cc2c(s1)CCCC2)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000537421658 532708035 /nfs/dbraw/zinc/70/80/35/532708035.db2.gz HTKSMNGFEFPUCU-IHRRRGAJSA-N 1 0 384.567 2.217 20 0 GEADRO CN1C(=O)CC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1=O ZINC000394559267 532709680 /nfs/dbraw/zinc/70/96/80/532709680.db2.gz IIHJFMMKHXFQAM-LLVKDONJSA-N 1 0 390.075 2.449 20 0 GEADRO COCCN(Cc1sccc1Br)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000573251474 532709947 /nfs/dbraw/zinc/70/99/47/532709947.db2.gz NXHBWGUCVHVRDG-ZDUSSCGKSA-N 1 0 377.348 2.414 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(Br)cc1Br ZINC000394488419 532709991 /nfs/dbraw/zinc/70/99/91/532709991.db2.gz IWEJSKKLVZKHAD-RQJHMYQMSA-N 1 0 386.109 2.226 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)C1 ZINC000608047875 532710652 /nfs/dbraw/zinc/71/06/52/532710652.db2.gz FCOLGSIVVBJYPD-HIFRSBDPSA-N 1 0 387.571 2.298 20 0 GEADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)C1 ZINC000440348522 532710799 /nfs/dbraw/zinc/71/07/99/532710799.db2.gz XQTJEIHHQFHRNM-LLVKDONJSA-N 1 0 388.312 2.294 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000440355608 532711712 /nfs/dbraw/zinc/71/17/12/532711712.db2.gz MOGDMPAZCARFCT-ONGXEEELSA-N 1 0 377.869 2.104 20 0 GEADRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1=O ZINC000608071388 532712936 /nfs/dbraw/zinc/71/29/36/532712936.db2.gz FRQRWLSVKWLZQP-OSMZGAPFSA-N 1 0 381.270 2.319 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)s1 ZINC000440422004 532713230 /nfs/dbraw/zinc/71/32/30/532713230.db2.gz LOCULQVFGRHGAX-UHFFFAOYSA-N 1 0 397.360 2.338 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1Br ZINC000494172729 532713617 /nfs/dbraw/zinc/71/36/17/532713617.db2.gz YGPOJODEXOSBDN-GHMZBOCLSA-N 1 0 383.290 2.365 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000574383847 532713852 /nfs/dbraw/zinc/71/38/52/532713852.db2.gz OHAOBSOKKINALS-QGZVFWFLSA-N 1 0 395.345 2.495 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1Cl ZINC000440438077 532714663 /nfs/dbraw/zinc/71/46/63/532714663.db2.gz YBPLXCMFLRDMME-KCJUWKMLSA-N 1 0 397.722 2.469 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000440426181 532714968 /nfs/dbraw/zinc/71/49/68/532714968.db2.gz PANNVJSSKDPDML-GXFFZTMASA-N 1 0 377.304 2.206 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)c1cnc2sccn2c1=O)c1ccc(Cl)cc1 ZINC000670172696 532715172 /nfs/dbraw/zinc/71/51/72/532715172.db2.gz KIICUGDZQHIDEG-CQSZACIVSA-N 1 0 376.869 2.442 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000645303382 532716297 /nfs/dbraw/zinc/71/62/97/532716297.db2.gz RCFGMJNCFAAHDE-JTQLQIEISA-N 1 0 379.766 2.388 20 0 GEADRO OC[C@H]1C=C[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000575059882 532717133 /nfs/dbraw/zinc/71/71/33/532717133.db2.gz MURFELVLFIDZBA-UHTWSYAYSA-N 1 0 376.678 2.369 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C[N@@H+]1C1CC1 ZINC000670495352 532717782 /nfs/dbraw/zinc/71/77/82/532717782.db2.gz FCJOYLDUBMPQBV-RISCZKNCSA-N 1 0 384.307 2.394 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670496649 532717976 /nfs/dbraw/zinc/71/79/76/532717976.db2.gz WFOLVTPDZNJXHJ-ZDUSSCGKSA-N 1 0 386.323 2.452 20 0 GEADRO COC(=O)c1csc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000285935725 532720773 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2.447 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612985688 532723717 /nfs/dbraw/zinc/72/37/17/532723717.db2.gz MSCWNSWQLZAFQF-ZBFHGGJFSA-N 1 0 396.329 2.041 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000440857569 532723785 /nfs/dbraw/zinc/72/37/85/532723785.db2.gz JJTQONMJSJHYAM-SUMWQHHRSA-N 1 0 390.933 2.422 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 ZINC000266795666 532723833 /nfs/dbraw/zinc/72/38/33/532723833.db2.gz XFUJXWLMWPJEIS-OAHLLOKOSA-N 1 0 386.279 2.059 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 ZINC000266795663 532724041 /nfs/dbraw/zinc/72/40/41/532724041.db2.gz XFUJXWLMWPJEIS-HNNXBMFYSA-N 1 0 386.279 2.059 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000646478644 532724066 /nfs/dbraw/zinc/72/40/66/532724066.db2.gz GTWOCKBURRKWMO-NFAWXSAZSA-N 1 0 394.313 2.353 20 0 GEADRO CN(C)c1ncc(CN(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cn1 ZINC000646505677 532724085 /nfs/dbraw/zinc/72/40/85/532724085.db2.gz BATHOYCUMNVVDE-KRWDZBQOSA-N 1 0 392.301 2.138 20 0 GEADRO COc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c(I)c1 ZINC000286009777 532724137 /nfs/dbraw/zinc/72/41/37/532724137.db2.gz JEYUHKAUCCGLFR-GPCCPHFNSA-N 1 0 388.249 2.416 20 0 GEADRO C[C@H](Oc1ccc(I)cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000409519047 532724123 /nfs/dbraw/zinc/72/41/23/532724123.db2.gz FRYFYOWYWUZLQW-NSHDSACASA-N 1 0 388.249 2.269 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000612990586 532724555 /nfs/dbraw/zinc/72/45/55/532724555.db2.gz UFTFLLYPUCUHFE-OCCSQVGLSA-N 1 0 384.249 2.463 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(c2ccccc2Br)CC1 ZINC000576157631 532724551 /nfs/dbraw/zinc/72/45/51/532724551.db2.gz FSSOJZLDAQZRAU-MRXNPFEDSA-N 1 0 394.313 2.023 20 0 GEADRO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1C(F)(F)F ZINC000440864679 532724884 /nfs/dbraw/zinc/72/48/84/532724884.db2.gz SEUQCRITILSLCN-QMMMGPOBSA-N 1 0 387.221 2.356 20 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/nfs/dbraw/zinc/72/69/68/532726968.db2.gz JBVFUSYWWKEXLS-UHFFFAOYSA-N 1 0 384.977 2.454 20 0 GEADRO C[C@H]([C@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1)N1CCOCC1 ZINC000576220309 532727150 /nfs/dbraw/zinc/72/71/50/532727150.db2.gz MBPUWARFSUZYBE-UONOGXRCSA-N 1 0 384.318 2.477 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000499768526 532727395 /nfs/dbraw/zinc/72/73/95/532727395.db2.gz ZQPOSGYQYRCJHZ-ZDUSSCGKSA-N 1 0 384.318 2.484 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000672693570 532729165 /nfs/dbraw/zinc/72/91/65/532729165.db2.gz XXKUAMHJVLWAFR-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1ccccc1Br ZINC000299584603 532729197 /nfs/dbraw/zinc/72/91/97/532729197.db2.gz HVDUEQYMVXNHHB-CYBMUJFWSA-N 1 0 380.286 2.474 20 0 GEADRO C[NH+](C)CCOCCNC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409903006 532729361 /nfs/dbraw/zinc/72/93/61/532729361.db2.gz OXAFIXZBHIKQBY-SJLPKXTDSA-N 1 0 381.314 2.347 20 0 GEADRO NS(=O)(=O)c1ccsc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000613199925 532729682 /nfs/dbraw/zinc/72/96/82/532729682.db2.gz BGXTVBBHMZEFDM-UHFFFAOYSA-N 1 0 379.507 2.286 20 0 GEADRO O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000286125841 532729854 /nfs/dbraw/zinc/72/98/54/532729854.db2.gz ORUOGWWHXJLKJC-QGZVFWFLSA-N 1 0 392.341 2.377 20 0 GEADRO O=C(CCOC1C[NH2+]C1)NCc1cc(Br)ccc1Br ZINC000577055238 532730534 /nfs/dbraw/zinc/73/05/34/532730534.db2.gz WDKAXZLZMVIEBD-UHFFFAOYSA-N 1 0 392.091 2.206 20 0 GEADRO CCN1CC[C@H](NC(=O)[C@H]([NH3+])CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577061814 532731412 /nfs/dbraw/zinc/73/14/12/532731412.db2.gz UZOIRZZFCLCPQN-IJEWVQPXSA-N 1 0 375.460 2.436 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)C1 ZINC000646017183 532719848 /nfs/dbraw/zinc/71/98/48/532719848.db2.gz GWSLCBYMRLNLTP-IUODEOHRSA-N 1 0 381.416 2.423 20 0 GEADRO Cc1ccc(OCCC(=O)N2CCN([C@H]3CCOC3)CC2)c(Br)c1 ZINC000676388388 532742010 /nfs/dbraw/zinc/74/20/10/532742010.db2.gz LRIZQXVOJSGTFY-HNNXBMFYSA-N 1 0 397.313 2.460 20 0 GEADRO NC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)c1cccc(Br)c1 ZINC000579495021 532742066 /nfs/dbraw/zinc/74/20/66/532742066.db2.gz KHUVSZNIHQHJHZ-BFYDXBDKSA-N 1 0 394.313 2.499 20 0 GEADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000502855304 532742099 /nfs/dbraw/zinc/74/20/99/532742099.db2.gz IQQYRZCBGZANGK-WCQYABFASA-N 1 0 379.309 2.271 20 0 GEADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCN([C@H]2CCOC2)CC1 ZINC000676388565 532742298 /nfs/dbraw/zinc/74/22/98/532742298.db2.gz OHZZXJCKQVTODL-INIZCTEOSA-N 1 0 393.281 2.158 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000579929217 532744463 /nfs/dbraw/zinc/74/44/63/532744463.db2.gz NJIOHNXHGNPLHW-NSHDSACASA-N 1 0 379.262 2.151 20 0 GEADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1csc(S(N)(=O)=O)c1)[NH+](C)C ZINC000443406642 532747288 /nfs/dbraw/zinc/74/72/88/532747288.db2.gz MXJCYTXRCKVWIH-LRDDRELGSA-N 1 0 381.523 2.125 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000503400013 532747361 /nfs/dbraw/zinc/74/73/61/532747361.db2.gz MYYNJAAQVDKYKP-DMDPSCGWSA-N 1 0 376.425 2.167 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC(C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000615513916 532747475 /nfs/dbraw/zinc/74/74/75/532747475.db2.gz CTRRPUUFEHNOFT-INIZCTEOSA-N 1 0 382.302 2.036 20 0 GEADRO Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](C(C)(C)CO)CC2)ccc1Br ZINC000673895175 532733462 /nfs/dbraw/zinc/73/34/62/532733462.db2.gz JOPOXHMKWFAWGP-CQSZACIVSA-N 1 0 398.345 2.473 20 0 GEADRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000286205468 532734122 /nfs/dbraw/zinc/73/41/22/532734122.db2.gz QHIHJQAXVIBYDA-BFYDXBDKSA-N 1 0 384.567 2.432 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)NCCOc2cccc(Br)c2)cn1 ZINC000673868850 532734175 /nfs/dbraw/zinc/73/41/75/532734175.db2.gz GSINXQDLSQUXJL-UHFFFAOYSA-N 1 0 396.289 2.408 20 0 GEADRO CCN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000500778102 532734981 /nfs/dbraw/zinc/73/49/81/532734981.db2.gz GAPPNTYOHCFFOT-SJORKVTESA-N 1 0 375.579 2.353 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1cccc(Br)c1 ZINC000299733157 532737768 /nfs/dbraw/zinc/73/77/68/532737768.db2.gz YHZHWJWVKFHUSL-OAHLLOKOSA-N 1 0 380.286 2.474 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1Br ZINC000300179981 532738523 /nfs/dbraw/zinc/73/85/23/532738523.db2.gz ZIBWNWXOGRZJSM-MNOVXSKESA-N 1 0 377.304 2.206 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(I)ccc1O ZINC000300412278 532738834 /nfs/dbraw/zinc/73/88/34/532738834.db2.gz NIGZBXVJDCLFPV-QWHCGFSZSA-N 1 0 386.233 2.353 20 0 GEADRO CSCCc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000267347011 532739473 /nfs/dbraw/zinc/73/94/73/532739473.db2.gz QLWQOJZCAWPFHX-SFHVURJKSA-N 1 0 381.567 2.084 20 0 GEADRO O=C(NCC[NH2+]C1CCN(CC(F)F)CC1)c1cccc(Br)c1 ZINC000540493741 532739716 /nfs/dbraw/zinc/73/97/16/532739716.db2.gz INJFXBORFLKMRS-UHFFFAOYSA-N 1 0 390.272 2.498 20 0 GEADRO C[C@H]1COCCN1CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000410415299 532740125 /nfs/dbraw/zinc/74/01/25/532740125.db2.gz VCYZGAYUASYYMX-INIZCTEOSA-N 1 0 382.346 2.287 20 0 GEADRO CC[N@@H+]1CCN(CC(=O)Nc2ccccc2I)[C@@H](C)C1 ZINC000286317142 532740643 /nfs/dbraw/zinc/74/06/43/532740643.db2.gz DEMHGXMCVXRMIO-LBPRGKRZSA-N 1 0 387.265 2.256 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CCSC1 ZINC000267365240 532740824 /nfs/dbraw/zinc/74/08/24/532740824.db2.gz SQCIKSGUOITKCC-HNNXBMFYSA-N 1 0 375.416 2.197 20 0 GEADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000675818590 532741036 /nfs/dbraw/zinc/74/10/36/532741036.db2.gz BWRQQXATSOALGW-SFHVURJKSA-N 1 0 385.961 2.274 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000268083648 532755645 /nfs/dbraw/zinc/75/56/45/532755645.db2.gz DQERFKNIHBHQCS-LBPRGKRZSA-N 1 0 398.248 2.105 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000618341979 532756232 /nfs/dbraw/zinc/75/62/32/532756232.db2.gz RHUROVGKRFKLSK-IUODEOHRSA-N 1 0 375.296 2.454 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000618341980 532756500 /nfs/dbraw/zinc/75/65/00/532756500.db2.gz RHUROVGKRFKLSK-SWLSCSKDSA-N 1 0 375.296 2.454 20 0 GEADRO CC(C)c1cc(N(C)[C@H](C)C[S@](C)=O)nc(N(C)[C@H](C)C[S@](C)=O)[nH+]1 ZINC000618680498 532758664 /nfs/dbraw/zinc/75/86/64/532758664.db2.gz BKUOLEMTSMLCGA-WNYGVXHNSA-N 1 0 388.603 2.006 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000507724109 532759041 /nfs/dbraw/zinc/75/90/41/532759041.db2.gz IXHFRKKXUOSGOB-UHFFFAOYSA-N 1 0 398.345 2.314 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000581927825 532759411 /nfs/dbraw/zinc/75/94/11/532759411.db2.gz RQJFGYBJEWYFJP-MCIONIFRSA-N 1 0 383.286 2.196 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1c(C3CC3)nc3sccn13)CCO2 ZINC000541852631 532760246 /nfs/dbraw/zinc/76/02/46/532760246.db2.gz KWPMTVHGYLXUIC-DYVFJYSZSA-N 1 0 381.523 2.099 20 0 GEADRO OCCCSCC[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000268277213 532760407 /nfs/dbraw/zinc/76/04/07/532760407.db2.gz QMNVTRCSWAWGNJ-UHFFFAOYSA-N 1 0 388.961 2.256 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)[NH+]1CCCC1 ZINC000541865716 532760510 /nfs/dbraw/zinc/76/05/10/532760510.db2.gz HDFAOVUYIKIPCY-JTQLQIEISA-N 1 0 375.803 2.480 20 0 GEADRO COc1cc(Br)c(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c(OC)c1 ZINC000451222985 532762404 /nfs/dbraw/zinc/76/24/04/532762404.db2.gz PBRXCDKHBUGKOU-BETUJISGSA-N 1 0 385.302 2.419 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620478235 532763008 /nfs/dbraw/zinc/76/30/08/532763008.db2.gz VEHWHCAUMFMPDC-KRWDZBQOSA-N 1 0 381.314 2.358 20 0 GEADRO C[NH+](C)CCCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000267629282 532748151 /nfs/dbraw/zinc/74/81/51/532748151.db2.gz WETBMWJPSDPREV-UHFFFAOYSA-N 1 0 389.949 2.488 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2ccc(Br)cc2OC)CC1 ZINC000541158861 532748972 /nfs/dbraw/zinc/74/89/72/532748972.db2.gz KVJQZZZCGIHMMC-MRXNPFEDSA-N 1 0 399.329 2.305 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000580512531 532749438 /nfs/dbraw/zinc/74/94/38/532749438.db2.gz XXKBSXALYCPXHX-NSHDSACASA-N 1 0 386.265 2.373 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000411246500 532751491 /nfs/dbraw/zinc/75/14/91/532751491.db2.gz MWNBCNHWXWAAPT-ZWNOBZJWSA-N 1 0 377.794 2.128 20 0 GEADRO CN(C)c1cc(NC(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)ncc1Br ZINC000580995543 532752405 /nfs/dbraw/zinc/75/24/05/532752405.db2.gz RVLOKZCRIZAOFI-VXGBXAGGSA-N 1 0 396.289 2.185 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2cn3cc(Br)ccc3n2)CCC1 ZINC000445842742 532753645 /nfs/dbraw/zinc/75/36/45/532753645.db2.gz MEACCGUJDNVLHW-UHFFFAOYSA-N 1 0 380.290 2.380 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)C[C@H]1[NH+]1CCCC1 ZINC000445743924 532753920 /nfs/dbraw/zinc/75/39/20/532753920.db2.gz NUNCFAFOHKDZKA-NEPJUHHUSA-N 1 0 380.457 2.304 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000581346772 532753921 /nfs/dbraw/zinc/75/39/21/532753921.db2.gz VYFGQDNCSGOJFT-TZMCWYRMSA-N 1 0 395.276 2.402 20 0 GEADRO C[S@@](=O)C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000542539090 532774775 /nfs/dbraw/zinc/77/47/75/532774775.db2.gz UMCQHSODGMOLFQ-HOYKHHGWSA-N 1 0 381.519 2.178 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000269175062 532776783 /nfs/dbraw/zinc/77/67/83/532776783.db2.gz BHWCWVPXKSDPDU-BLLLJJGKSA-N 1 0 387.933 2.180 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000453817393 532777182 /nfs/dbraw/zinc/77/71/82/532777182.db2.gz KPMHBBTYUGSZHG-SNVBAGLBSA-N 1 0 392.258 2.034 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000269256218 532777477 /nfs/dbraw/zinc/77/74/77/532777477.db2.gz HSDHEIYGBIBAGZ-HNNXBMFYSA-N 1 0 375.922 2.082 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000269249265 532777493 /nfs/dbraw/zinc/77/74/93/532777493.db2.gz FQRQIBYEXCQPCO-SZNDQCEHSA-N 1 0 375.332 2.436 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000512301278 532777545 /nfs/dbraw/zinc/77/75/45/532777545.db2.gz UOVLJVVMHHZOTN-NWDGAFQWSA-N 1 0 383.286 2.314 20 0 GEADRO C[C@H]([NH2+]CC1=CCCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000286984647 532777535 /nfs/dbraw/zinc/77/75/35/532777535.db2.gz JGHHNKJWXNDKNA-JTQLQIEISA-N 1 0 375.288 2.094 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000269249262 532777657 /nfs/dbraw/zinc/77/76/57/532777657.db2.gz FQRQIBYEXCQPCO-SPLOXXLWSA-N 1 0 375.332 2.436 20 0 GEADRO COc1ccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(I)c1 ZINC000269241986 532777701 /nfs/dbraw/zinc/77/77/01/532777701.db2.gz XVJJIPYERAEEAK-MNOVXSKESA-N 1 0 388.249 2.418 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000453828517 532777802 /nfs/dbraw/zinc/77/78/02/532777802.db2.gz YMQNLWDYXSRAHG-LLVKDONJSA-N 1 0 392.258 2.034 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000269249719 532777803 /nfs/dbraw/zinc/77/78/03/532777803.db2.gz GPEZWYGNMHDEOU-YOEHRIQHSA-N 1 0 396.329 2.033 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000269270850 532778309 /nfs/dbraw/zinc/77/83/09/532778309.db2.gz MENZEVQIVBODNA-CYBMUJFWSA-N 1 0 375.922 2.130 20 0 GEADRO CC[C@H](CSC)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000286999292 532778380 /nfs/dbraw/zinc/77/83/80/532778380.db2.gz IOOVIBLTPYVLHU-LSDHHAIUSA-N 1 0 383.583 2.334 20 0 GEADRO CN(C(=O)c1cc(I)ccc1O)[C@H]1C[NH+]2CCC1CC2 ZINC000312717405 532778721 /nfs/dbraw/zinc/77/87/21/532778721.db2.gz RACCMSPGMAHBFV-ZDUSSCGKSA-N 1 0 386.233 2.163 20 0 GEADRO Cn1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Br)c1 ZINC000512874186 532778837 /nfs/dbraw/zinc/77/88/37/532778837.db2.gz KRNNCVYOPRAVHQ-UHFFFAOYSA-N 1 0 386.315 2.246 20 0 GEADRO CCn1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000512885377 532779123 /nfs/dbraw/zinc/77/91/23/532779123.db2.gz OTNNFVHYZPTGAL-UHFFFAOYSA-N 1 0 377.297 2.278 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000542759190 532779331 /nfs/dbraw/zinc/77/93/31/532779331.db2.gz TXAGOVTVXMDODI-HNNXBMFYSA-N 1 0 387.571 2.179 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@H]1C ZINC000542082936 532763593 /nfs/dbraw/zinc/76/35/93/532763593.db2.gz ILFCLCBRZSYQAU-GHMZBOCLSA-N 1 0 396.285 2.335 20 0 GEADRO CN(C(=O)CCCOc1ccc(I)cc1)C1CC([NH3+])C1 ZINC000583083978 532763782 /nfs/dbraw/zinc/76/37/82/532763782.db2.gz OQMCMTMBOXLUMS-UHFFFAOYSA-N 1 0 388.249 2.398 20 0 GEADRO O=C(CCOc1ccccc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486720 532764257 /nfs/dbraw/zinc/76/42/57/532764257.db2.gz MDIRUOUPDNWCMA-OAHLLOKOSA-N 1 0 397.313 2.276 20 0 GEADRO CSc1cc(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)ccc1Cl ZINC000411525551 532765381 /nfs/dbraw/zinc/76/53/81/532765381.db2.gz KOKHHMPVXIUHLS-UHFFFAOYSA-N 1 0 386.949 2.000 20 0 GEADRO NC(=O)C[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000411514752 532765411 /nfs/dbraw/zinc/76/54/11/532765411.db2.gz GRDRTHUAIAZRDV-HNNXBMFYSA-N 1 0 398.301 2.038 20 0 GEADRO NC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000411512812 532765559 /nfs/dbraw/zinc/76/55/59/532765559.db2.gz BYFUYQYDSLCJMD-OAHLLOKOSA-N 1 0 398.301 2.038 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)COc2cccc(Br)c2)CC1 ZINC000268479640 532766039 /nfs/dbraw/zinc/76/60/39/532766039.db2.gz ONNKFURWDJYCTC-UHFFFAOYSA-N 1 0 385.302 2.179 20 0 GEADRO CC(C)OCC[C@H](O)C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000584228029 532767348 /nfs/dbraw/zinc/76/73/48/532767348.db2.gz ZXGBPYGXUBCANP-AWEZNQCLSA-N 1 0 383.432 2.375 20 0 GEADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286770886 532768311 /nfs/dbraw/zinc/76/83/11/532768311.db2.gz NMJFTGXFXVJQHS-AWEZNQCLSA-N 1 0 377.286 2.050 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000268797481 532770092 /nfs/dbraw/zinc/77/00/92/532770092.db2.gz ONILGEDWYXXIMR-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000268794766 532770474 /nfs/dbraw/zinc/77/04/74/532770474.db2.gz NNSOBVAOWHYKFS-BLLLJJGKSA-N 1 0 386.901 2.231 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000411633022 532771167 /nfs/dbraw/zinc/77/11/67/532771167.db2.gz HMTSGZWUVZSKER-HUUCEWRRSA-N 1 0 391.896 2.258 20 0 GEADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411645366 532771754 /nfs/dbraw/zinc/77/17/54/532771754.db2.gz LBKBXSQHUKRCIB-WCQYABFASA-N 1 0 386.265 2.421 20 0 GEADRO Cn1nccc1-c1ccccc1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000511741790 532774696 /nfs/dbraw/zinc/77/46/96/532774696.db2.gz WTUVHYXWLGVUHX-UHFFFAOYSA-N 1 0 376.507 2.217 20 0 GEADRO CSc1ccccc1OC[C@@H](O)C[N@H+](C[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000411991522 532782596 /nfs/dbraw/zinc/78/25/96/532782596.db2.gz XXEGNLSHKPNKAK-CVEARBPZSA-N 1 0 387.567 2.293 20 0 GEADRO O=C(CC[NH2+][C@H](CO)[C@H]1CCCOC1)Nc1ccc(Br)cc1F ZINC000411990767 532782708 /nfs/dbraw/zinc/78/27/08/532782708.db2.gz IMMXRGJTJBWZAQ-XHDPSFHLSA-N 1 0 389.265 2.294 20 0 GEADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000411982096 532782848 /nfs/dbraw/zinc/78/28/48/532782848.db2.gz JKOXFFPLUGBXEC-MFKMUULPSA-N 1 0 378.803 2.257 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](CO)[C@H]2CCCOC2)ccc1Br ZINC000411986068 532782950 /nfs/dbraw/zinc/78/29/50/532782950.db2.gz DZDQACQLHIXWOP-HEHGZKQESA-N 1 0 385.302 2.462 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000315983230 532783057 /nfs/dbraw/zinc/78/30/57/532783057.db2.gz STWIAVMPBXFNKV-UHFFFAOYSA-N 1 0 391.331 2.449 20 0 GEADRO NS(=O)(=O)c1ccc(OCC[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000287093346 532783093 /nfs/dbraw/zinc/78/30/93/532783093.db2.gz XHUGFWDFXZVLKO-QGZVFWFLSA-N 1 0 384.885 2.080 20 0 GEADRO O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000456497069 532783122 /nfs/dbraw/zinc/78/31/22/532783122.db2.gz YMDPIDMOZFQAFN-PXAZEXFGSA-N 1 0 399.304 2.482 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CO)[C@H]2CCCOC2)c(Br)c1 ZINC000411995257 532783271 /nfs/dbraw/zinc/78/32/71/532783271.db2.gz PGUVAYXMYWFGPA-HEHGZKQESA-N 1 0 385.302 2.462 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H]2CCCOC2)c(Br)c1 ZINC000411995260 532783666 /nfs/dbraw/zinc/78/36/66/532783666.db2.gz PGUVAYXMYWFGPA-ZENOOKHLSA-N 1 0 385.302 2.462 20 0 GEADRO CC[N@H+](CC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC)C1CC1 ZINC000456736208 532783741 /nfs/dbraw/zinc/78/37/41/532783741.db2.gz XDYZMNZDFDPPNZ-ZDUSSCGKSA-N 1 0 399.329 2.209 20 0 GEADRO CNC(=O)NC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000412054881 532784153 /nfs/dbraw/zinc/78/41/53/532784153.db2.gz NHIAJUSFKGXJRT-UHFFFAOYSA-N 1 0 383.290 2.171 20 0 GEADRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000412097909 532785268 /nfs/dbraw/zinc/78/52/68/532785268.db2.gz ZOAURBHVFKJLSU-LSDHHAIUSA-N 1 0 399.329 2.379 20 0 GEADRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000412093144 532785781 /nfs/dbraw/zinc/78/57/81/532785781.db2.gz RORFJBXKEXRPIC-XUJVJEKNSA-N 1 0 376.266 2.421 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(=O)n1C ZINC000287200221 532785983 /nfs/dbraw/zinc/78/59/83/532785983.db2.gz PJZRKLSAIZCSLD-IUODEOHRSA-N 1 0 382.302 2.155 20 0 GEADRO CNC(=O)CN1CCC([NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000319897866 532786442 /nfs/dbraw/zinc/78/64/42/532786442.db2.gz WVQJTSFUIISDPP-UHFFFAOYSA-N 1 0 380.330 2.495 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000287235001 532787678 /nfs/dbraw/zinc/78/76/78/532787678.db2.gz PPUFKRZKTHXJJS-SWLSCSKDSA-N 1 0 382.302 2.120 20 0 GEADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2n[nH]cc2Br)[C@H](C(F)(F)F)C1 ZINC000412341383 532788587 /nfs/dbraw/zinc/78/85/87/532788587.db2.gz SCKLZXGJVXMAPR-HTQZYQBOSA-N 1 0 383.212 3.020 20 0 GEADRO COc1ccc(Br)c(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)c1 ZINC000325300264 532789168 /nfs/dbraw/zinc/78/91/68/532789168.db2.gz VLGFKGYKYUOYNP-YVEFUNNKSA-N 1 0 396.285 2.397 20 0 GEADRO O=c1cc(CN2CCC([NH2+]CC3CC3)CC2)nc2ccc(Br)cn12 ZINC000325870285 532789428 /nfs/dbraw/zinc/78/94/28/532789428.db2.gz KWCOJDAYDLHVAH-UHFFFAOYSA-N 1 0 391.313 2.421 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000326862345 532790866 /nfs/dbraw/zinc/79/08/66/532790866.db2.gz VBTJHAYTYDOOKI-HIFRSBDPSA-N 1 0 386.901 2.279 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000287313846 532791535 /nfs/dbraw/zinc/79/15/35/532791535.db2.gz FCBOEUILSFKEJH-DZGCQCFKSA-N 1 0 384.322 2.304 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cn1cnc2sccc2c1=O ZINC000458207722 532792420 /nfs/dbraw/zinc/79/24/20/532792420.db2.gz WKIOGGAYVRYTDD-UHFFFAOYSA-N 1 0 376.507 2.110 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000458235691 532793430 /nfs/dbraw/zinc/79/34/30/532793430.db2.gz VPLMJAXXDQYTJT-CABCVRRESA-N 1 0 385.306 2.314 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270366102 532795838 /nfs/dbraw/zinc/79/58/38/532795838.db2.gz ZIPHZUUTSCRUKA-NHYWBVRUSA-N 1 0 381.325 2.288 20 0 GEADRO CCOc1cc(C[NH2+]C[C@@H]2CCCCN2CCO)cc(Br)c1O ZINC000459569249 532796431 /nfs/dbraw/zinc/79/64/31/532796431.db2.gz MCCUTEHCVNUBTD-AWEZNQCLSA-N 1 0 387.318 2.490 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000269306045 532780048 /nfs/dbraw/zinc/78/00/48/532780048.db2.gz ZAAIJFDQCIDKJA-HNNXBMFYSA-N 1 0 387.933 2.228 20 0 GEADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000411927951 532780713 /nfs/dbraw/zinc/78/07/13/532780713.db2.gz AKCONRKYMLMCEY-TZMCWYRMSA-N 1 0 382.302 2.036 20 0 GEADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000411927950 532780938 /nfs/dbraw/zinc/78/09/38/532780938.db2.gz AKCONRKYMLMCEY-OCCSQVGLSA-N 1 0 382.302 2.036 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000315318147 532781389 /nfs/dbraw/zinc/78/13/89/532781389.db2.gz HFLZIOULOABPFJ-UHFFFAOYSA-N 1 0 377.304 2.058 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000514967287 532781537 /nfs/dbraw/zinc/78/15/37/532781537.db2.gz ZJFIQKLOMKLTHA-UHFFFAOYSA-N 1 0 391.921 2.269 20 0 GEADRO Cc1sc2[nH]c([C@@H](C)Sc3nnnn3CC[NH+](C)C)nc(=O)c2c1C ZINC000412997142 532805573 /nfs/dbraw/zinc/80/55/73/532805573.db2.gz WHLPLBGRJROKDV-SNVBAGLBSA-N 1 0 379.515 2.415 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329363581 532806143 /nfs/dbraw/zinc/80/61/43/532806143.db2.gz HRDCVSBIIWWOIO-MRXNPFEDSA-N 1 0 394.313 2.266 20 0 GEADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000554938539 532807091 /nfs/dbraw/zinc/80/70/91/532807091.db2.gz VYNFPTZKNHLQFU-NSHDSACASA-N 1 0 376.404 2.275 20 0 GEADRO O=S1(=O)CCC([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000329573824 532808352 /nfs/dbraw/zinc/80/83/52/532808352.db2.gz AMAOZNSXVYFVSK-UHFFFAOYSA-N 1 0 377.432 2.236 20 0 GEADRO Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)nnn1-c1cccc(Br)c1 ZINC000271540775 532808515 /nfs/dbraw/zinc/80/85/15/532808515.db2.gz SPNLJPXLQIAUNR-BZNIZROVSA-N 1 0 381.274 2.140 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000413260491 532808923 /nfs/dbraw/zinc/80/89/23/532808923.db2.gz HSPKYTMAQKUOFY-UHFFFAOYSA-N 1 0 384.318 2.261 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000413288522 532809116 /nfs/dbraw/zinc/80/91/16/532809116.db2.gz WGMFPORSSFBPEP-AWEZNQCLSA-N 1 0 385.917 2.170 20 0 GEADRO C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1cc2c(cc1Br)OCCO2 ZINC000329595797 532809222 /nfs/dbraw/zinc/80/92/22/532809222.db2.gz BYHSWQXZLSXDCY-SNVBAGLBSA-N 1 0 390.299 2.448 20 0 GEADRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3nn(C)cc3Br)CC2)C[C@@H](C)O1 ZINC000555738450 532809755 /nfs/dbraw/zinc/80/97/55/532809755.db2.gz JVHXNBMHSDWEFU-CHWSQXEVSA-N 1 0 399.333 2.144 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000413314372 532810109 /nfs/dbraw/zinc/81/01/09/532810109.db2.gz MQUCVKYNXVMWMZ-WFASDCNBSA-N 1 0 387.933 2.416 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CCSC1 ZINC000271616191 532810236 /nfs/dbraw/zinc/81/02/36/532810236.db2.gz CCFXDZVXXBPTPW-HNNXBMFYSA-N 1 0 377.844 2.110 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000271648726 532810893 /nfs/dbraw/zinc/81/08/93/532810893.db2.gz MBKMECNZGAZOPX-CYBMUJFWSA-N 1 0 395.301 2.178 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)C[C@H]1[NH+]1CCCC1 ZINC000329772458 532810962 /nfs/dbraw/zinc/81/09/62/532810962.db2.gz HLSJIOQCEDEJSR-UKRRQHHQSA-N 1 0 377.539 2.195 20 0 GEADRO CSC1(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000550019336 532797355 /nfs/dbraw/zinc/79/73/55/532797355.db2.gz HXYGYFVFWQLVJP-CQSZACIVSA-N 1 0 381.567 2.403 20 0 GEADRO CCOc1ccc2nc(NC(=O)C[NH2+]C3(CO)CCSCC3)sc2c1 ZINC000459687951 532797344 /nfs/dbraw/zinc/79/73/44/532797344.db2.gz CAHIDHNKYPMVLU-UHFFFAOYSA-N 1 0 381.523 2.481 20 0 GEADRO OCC1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCSCC1 ZINC000459694823 532797406 /nfs/dbraw/zinc/79/74/06/532797406.db2.gz KHAZXGNGRUDNRB-CYBMUJFWSA-N 1 0 394.306 2.176 20 0 GEADRO COc1nccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)n1 ZINC000459684703 532797591 /nfs/dbraw/zinc/79/75/91/532797591.db2.gz AJPVGTOGWNNRCR-LBPRGKRZSA-N 1 0 384.249 2.328 20 0 GEADRO CC(C)(CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)S(C)(=O)=O ZINC000412639016 532798052 /nfs/dbraw/zinc/79/80/52/532798052.db2.gz NGRIDDJNLAZGNA-UHFFFAOYSA-N 1 0 384.567 2.179 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc(CSc3nccn3C)o2)C[C@@H]1[NH+](C)C ZINC000270468891 532798357 /nfs/dbraw/zinc/79/83/57/532798357.db2.gz LPQCCCZJJGFOTF-ZFWWWQNUSA-N 1 0 380.539 2.423 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000550811471 532798366 /nfs/dbraw/zinc/79/83/66/532798366.db2.gz ZDXPUWUEZIDLHJ-NSHDSACASA-N 1 0 378.420 2.177 20 0 GEADRO CSC1(CNC(=O)c2cc(Br)c(C)[nH]c2=O)CC[NH+](C)CC1 ZINC000460980796 532798629 /nfs/dbraw/zinc/79/86/29/532798629.db2.gz PLOVPOGAYJWMGO-UHFFFAOYSA-N 1 0 388.331 2.415 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)C[C@@H]1[NH+](C)C ZINC000270466626 532798668 /nfs/dbraw/zinc/79/86/68/532798668.db2.gz BKMFWFVIWZJDPW-DLBZAZTESA-N 1 0 381.523 2.316 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccccc1Br ZINC000550820537 532798813 /nfs/dbraw/zinc/79/88/13/532798813.db2.gz KCUDVYMMBBHXMJ-HNNXBMFYSA-N 1 0 396.329 2.398 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)C[C@H]1[NH+](C)C ZINC000270466630 532798947 /nfs/dbraw/zinc/79/89/47/532798947.db2.gz BKMFWFVIWZJDPW-SJORKVTESA-N 1 0 381.523 2.316 20 0 GEADRO CCc1ncc(S(=O)(=O)NCCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000460965947 532799124 /nfs/dbraw/zinc/79/91/24/532799124.db2.gz GXALWKVZWJEJNU-UHFFFAOYSA-N 1 0 383.539 2.167 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(F)cc1Br ZINC000287549939 532799473 /nfs/dbraw/zinc/79/94/73/532799473.db2.gz JBFKPUYYYNNOBD-GFCCVEGCSA-N 1 0 396.260 2.308 20 0 GEADRO CC[NH+]1CCC(NCC(=O)Nc2ccc(I)cc2)CC1 ZINC000551565386 532800153 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GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC3=CC[N@H+](C)CC3)n2)s1 ZINC000288182800 532820377 /nfs/dbraw/zinc/82/03/77/532820377.db2.gz SJWXVJNGLWRSQJ-UHFFFAOYSA-N 1 0 376.507 2.497 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c(Br)c1 ZINC000414354626 532821749 /nfs/dbraw/zinc/82/17/49/532821749.db2.gz VPCDBYLSKZTYJZ-LLVKDONJSA-N 1 0 396.289 2.279 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000330611235 532822373 /nfs/dbraw/zinc/82/23/73/532822373.db2.gz PQGBGLUZPKAXOD-NEPJUHHUSA-N 1 0 394.324 2.382 20 0 GEADRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000414363694 532822550 /nfs/dbraw/zinc/82/25/50/532822550.db2.gz HBYMZOBNEDIMHQ-MRXNPFEDSA-N 1 0 384.885 2.209 20 0 GEADRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414370518 532822961 /nfs/dbraw/zinc/82/29/61/532822961.db2.gz WQKJRAOJTZBGTM-DGCLKSJQSA-N 1 0 377.304 2.001 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414371235 532822972 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CS[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000273549942 532826331 /nfs/dbraw/zinc/82/63/31/532826331.db2.gz VKDOTRJKYMJNSQ-QWHCGFSZSA-N 1 0 386.315 2.202 20 0 GEADRO COC(=O)c1coc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000273433621 532824124 /nfs/dbraw/zinc/82/41/24/532824124.db2.gz LMBXMMRQDQRDIC-UHFFFAOYSA-N 1 0 381.226 2.348 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)C3CC[NH+](C)CC3)nc12 ZINC000273441239 532824206 /nfs/dbraw/zinc/82/42/06/532824206.db2.gz YKHWOHCMLUXPGR-UHFFFAOYSA-N 1 0 379.302 2.406 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c(F)c1Cl ZINC000414455508 532828358 /nfs/dbraw/zinc/82/83/58/532828358.db2.gz CCHGCGAXNCQVII-UHFFFAOYSA-N 1 0 395.859 2.291 20 0 GEADRO OCC[C@@]1(C[NH2+]Cc2c(Br)cncc2Br)CCOC1 ZINC000330907223 532830084 /nfs/dbraw/zinc/83/00/84/532830084.db2.gz NPPVQBRJPYAXLK-ZDUSSCGKSA-N 1 0 394.107 2.485 20 0 GEADRO COC(C[N@H+](CCCO)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)OC ZINC000273664902 532830129 /nfs/dbraw/zinc/83/01/29/532830129.db2.gz YIMOVBOZCGXINX-WMLDXEAASA-N 1 0 375.893 2.082 20 0 GEADRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000331014202 532831834 /nfs/dbraw/zinc/83/18/34/532831834.db2.gz KTLRUZJDYVMKBW-UHFFFAOYSA-N 1 0 385.288 2.210 20 0 GEADRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000414544253 532832034 /nfs/dbraw/zinc/83/20/34/532832034.db2.gz OVVZWQYMSLDHMO-UHFFFAOYSA-N 1 0 378.288 2.150 20 0 GEADRO COc1sc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Br ZINC000331008965 532832155 /nfs/dbraw/zinc/83/21/55/532832155.db2.gz MNTURIDNDDBSPO-NEPJUHHUSA-N 1 0 397.360 2.469 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+]Cc2ccc(Cl)c(Br)c2)nn1 ZINC000414562663 532832658 /nfs/dbraw/zinc/83/26/58/532832658.db2.gz AZWHHYKWLPBFAC-UHFFFAOYSA-N 1 0 386.681 2.363 20 0 GEADRO CS[C@@H]1CN(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C[C@@H]1[NH+](C)C ZINC000273718261 532832716 /nfs/dbraw/zinc/83/27/16/532832716.db2.gz PCZJHFJKXNVRJT-JKSUJKDBSA-N 1 0 385.555 2.049 20 0 GEADRO O=C(Nc1ccncc1I)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000273688006 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CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000331237084 532836435 /nfs/dbraw/zinc/83/64/35/532836435.db2.gz HQBVFCUUTZMKDH-ZDUSSCGKSA-N 1 0 397.317 2.361 20 0 GEADRO C[C@H]1C[C@H](CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000414726848 532834977 /nfs/dbraw/zinc/83/49/77/532834977.db2.gz AOBVGCNSFPJBQA-QWHCGFSZSA-N 1 0 377.963 2.096 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(I)cc2Cl)CCO1 ZINC000414790298 532835119 /nfs/dbraw/zinc/83/51/19/532835119.db2.gz GISSQRGEBVRBFF-VIFPVBQESA-N 1 0 395.628 2.136 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000414883040 532835499 /nfs/dbraw/zinc/83/54/99/532835499.db2.gz MPDWXPNLOABLPM-ZDUSSCGKSA-N 1 0 397.317 2.385 20 0 GEADRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Br)ncc1F ZINC000273880296 532836620 /nfs/dbraw/zinc/83/66/20/532836620.db2.gz QWLDHOSRELVCOK-NSHDSACASA-N 1 0 387.297 2.186 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1ccc(Br)cc1C(F)(F)F ZINC000414983690 532836700 /nfs/dbraw/zinc/83/67/00/532836700.db2.gz 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C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000415390294 532843567 /nfs/dbraw/zinc/84/35/67/532843567.db2.gz UNFWYKZLXCXXSG-VIFPVBQESA-N 1 0 375.803 2.466 20 0 GEADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415385045 532843594 /nfs/dbraw/zinc/84/35/94/532843594.db2.gz UKBMUBWXFATAPT-UHFFFAOYSA-N 1 0 384.267 2.030 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C)c2Br)C1 ZINC000415388782 532843685 /nfs/dbraw/zinc/84/36/85/532843685.db2.gz DMQJNSAAMSYWRW-JTQLQIEISA-N 1 0 388.693 2.417 20 0 GEADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1Br ZINC000415399141 532843985 /nfs/dbraw/zinc/84/39/85/532843985.db2.gz DBRNLGNHISFRHW-QWRGUYRKSA-N 1 0 382.258 2.309 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415398800 532844049 /nfs/dbraw/zinc/84/40/49/532844049.db2.gz TZVRUYVOQZIEPK-SNVBAGLBSA-N 1 0 375.416 2.189 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000415395251 532844082 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O=C(NC1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000331825249 532845054 /nfs/dbraw/zinc/84/50/54/532845054.db2.gz IUWNXCBDOQDGML-OAHLLOKOSA-N 1 0 386.265 2.423 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1Br ZINC000415423047 532845136 /nfs/dbraw/zinc/84/51/36/532845136.db2.gz FUZSJCZONQAUCA-AWEZNQCLSA-N 1 0 398.301 2.420 20 0 GEADRO [NH3+]C1(CNC(=O)Nc2ccncc2I)CCCCCC1 ZINC000415426661 532845115 /nfs/dbraw/zinc/84/51/15/532845115.db2.gz NOELVHJWXGYIQB-UHFFFAOYSA-N 1 0 388.253 2.281 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000331803893 532845116 /nfs/dbraw/zinc/84/51/16/532845116.db2.gz ABLBIRUROZOBOJ-ZBFHGGJFSA-N 1 0 394.313 2.371 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000415431714 532845161 /nfs/dbraw/zinc/84/51/61/532845161.db2.gz DWSYRDQZBSVENX-ZJUUUORDSA-N 1 0 375.803 2.466 20 0 GEADRO C[C@H](O)c1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)s1 ZINC000289033626 532845356 /nfs/dbraw/zinc/84/53/56/532845356.db2.gz AAJIMXQMBSPTGL-JTQLQIEISA-N 1 0 384.299 2.479 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[C@H]1[NH3+] ZINC000415434595 532845464 /nfs/dbraw/zinc/84/54/64/532845464.db2.gz IPPBDWXUNZJFMF-ZWNOBZJWSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415449229 532845760 /nfs/dbraw/zinc/84/57/60/532845760.db2.gz VNIZDHDKBKHAAG-DTWKUNHWSA-N 1 0 390.228 2.252 20 0 GEADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415445512 532845832 /nfs/dbraw/zinc/84/58/32/532845832.db2.gz HYLISACDVWHUSW-JYAVWHMHSA-N 1 0 384.274 2.204 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000415449276 532845853 /nfs/dbraw/zinc/84/58/53/532845853.db2.gz IIYRYIZKBRHTIZ-CQSZACIVSA-N 1 0 386.290 2.274 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415464371 532846255 /nfs/dbraw/zinc/84/62/55/532846255.db2.gz MBSMXYWCHVWBLQ-UHFFFAOYSA-N 1 0 392.681 2.293 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415444109 532845945 /nfs/dbraw/zinc/84/59/45/532845945.db2.gz RHKYZCPONFSVJG-WDEREUQCSA-N 1 0 386.265 2.421 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415452144 532846537 /nfs/dbraw/zinc/84/65/37/532846537.db2.gz LSZFRKBRXMCUPF-ZDUSSCGKSA-N 1 0 384.274 2.028 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415478128 532846816 /nfs/dbraw/zinc/84/68/16/532846816.db2.gz CKVPLTXTCRGVDL-UHFFFAOYSA-N 1 0 393.285 2.379 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000331953037 532846910 /nfs/dbraw/zinc/84/69/10/532846910.db2.gz OHADGRDFLGZFAE-NEPJUHHUSA-N 1 0 380.290 2.342 20 0 GEADRO [NH3+]CC1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000415484201 532846984 /nfs/dbraw/zinc/84/69/84/532846984.db2.gz NJSDMMVZOMQVMV-UHFFFAOYSA-N 1 0 379.262 2.232 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000289096631 532847308 /nfs/dbraw/zinc/84/73/08/532847308.db2.gz PICMRXFSONDQHM-UHFFFAOYSA-N 1 0 378.420 2.435 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C[C@@]1(C)C[NH3+] ZINC000415485203 532847080 /nfs/dbraw/zinc/84/70/80/532847080.db2.gz OKBUOPPJYPYWKR-BDJLRTHQSA-N 1 0 393.289 2.478 20 0 GEADRO C[C@@H](CNC(=O)c1cnn(C)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC000274279875 532847107 /nfs/dbraw/zinc/84/71/07/532847107.db2.gz YPOBGFWCECTIIH-LBPRGKRZSA-N 1 0 377.286 2.359 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000289094664 532847247 /nfs/dbraw/zinc/84/72/47/532847247.db2.gz PCPKRBQADSXLFO-SMDDNHRTSA-N 1 0 383.290 2.238 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415486717 532847249 /nfs/dbraw/zinc/84/72/49/532847249.db2.gz QSKBKQWGAORQQY-ZJUUUORDSA-N 1 0 386.677 2.394 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415497563 532847858 /nfs/dbraw/zinc/84/78/58/532847858.db2.gz IBUPFHHOJXGPGD-LLVKDONJSA-N 1 0 384.303 3.072 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415497612 532847924 /nfs/dbraw/zinc/84/79/24/532847924.db2.gz IJBKKYYWEHZCNF-LLVKDONJSA-N 1 0 382.287 2.793 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415502720 532847935 /nfs/dbraw/zinc/84/79/35/532847935.db2.gz NQOHJZOZEKQTPY-GFCCVEGCSA-N 1 0 392.244 2.498 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415516452 532848325 /nfs/dbraw/zinc/84/83/25/532848325.db2.gz GEXSHPGWKHFMGW-UHFFFAOYSA-N 1 0 381.782 2.335 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000415533036 532848728 /nfs/dbraw/zinc/84/87/28/532848728.db2.gz HJTBTYLQDSDHRS-NSHDSACASA-N 1 0 375.416 2.441 20 0 GEADRO [NH3+]CCCNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415526424 532848968 /nfs/dbraw/zinc/84/89/68/532848968.db2.gz HHGZTDIFNRMYND-UHFFFAOYSA-N 1 0 376.223 2.371 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C[C@@H]1[NH3+] ZINC000332095107 532849091 /nfs/dbraw/zinc/84/90/91/532849091.db2.gz AAIMRXZCWSAVTN-ZBEGNZNMSA-N 1 0 382.291 2.415 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1CC1 ZINC000415541786 532849223 /nfs/dbraw/zinc/84/92/23/532849223.db2.gz SIWWSBAWCITXGZ-JTQLQIEISA-N 1 0 379.766 2.073 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)C1CC1 ZINC000415540047 532849421 /nfs/dbraw/zinc/84/94/21/532849421.db2.gz XBWPBADTFGMYPK-SNVBAGLBSA-N 1 0 378.629 2.034 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415535377 532849505 /nfs/dbraw/zinc/84/95/05/532849505.db2.gz DGOHOFMKYUNAOV-ZJUUUORDSA-N 1 0 375.803 2.118 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000415548498 532849761 /nfs/dbraw/zinc/84/97/61/532849761.db2.gz IJQJHRPSTRLNDU-UHFFFAOYSA-N 1 0 394.313 2.186 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000415550652 532849775 /nfs/dbraw/zinc/84/97/75/532849775.db2.gz MTXJQEFVIZNINE-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000415550685 532849879 /nfs/dbraw/zinc/84/98/79/532849879.db2.gz MYKMWKVLEPYTSI-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274423613 532849904 /nfs/dbraw/zinc/84/99/04/532849904.db2.gz GVISVTAHVPMMIG-SNVBAGLBSA-N 1 0 390.713 2.255 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC000415553411 532849946 /nfs/dbraw/zinc/84/99/46/532849946.db2.gz OSDQLLSLZYXGRK-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c(C)c2)s1 ZINC000415553311 532850015 /nfs/dbraw/zinc/85/00/15/532850015.db2.gz OLNWUIHILGUUMB-JTQLQIEISA-N 1 0 379.511 2.098 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)ccc1S(C)(=O)=O ZINC000274425348 532850232 /nfs/dbraw/zinc/85/02/32/532850232.db2.gz UWRGDDFOUGGFDY-GFCCVEGCSA-N 1 0 381.523 2.294 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)CCC1 ZINC000415570816 532850260 /nfs/dbraw/zinc/85/02/60/532850260.db2.gz YZMMABIFQUIERQ-UHFFFAOYSA-N 1 0 382.251 2.115 20 0 GEADRO O=C(Nc1cc(F)cc(F)c1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415560975 532850516 /nfs/dbraw/zinc/85/05/16/532850516.db2.gz LZBHXKBCQDBISF-NSHDSACASA-N 1 0 389.244 2.239 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415568150 532850575 /nfs/dbraw/zinc/85/05/75/532850575.db2.gz KDXQLKWZEHSRCC-QWRGUYRKSA-N 1 0 391.269 2.132 20 0 GEADRO CN(C)C(=O)COc1ccccc1C[N@H+](C)CCn1cc(Br)cn1 ZINC000289224106 532850354 /nfs/dbraw/zinc/85/03/54/532850354.db2.gz AIKKXCVOVIKFDR-UHFFFAOYSA-N 1 0 395.301 2.245 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1F ZINC000415561409 532850418 /nfs/dbraw/zinc/85/04/18/532850418.db2.gz WHUSSPFTPNLQHB-UHFFFAOYSA-N 1 0 398.276 2.437 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[NH2+]CC1 ZINC000415567299 532850450 /nfs/dbraw/zinc/85/04/50/532850450.db2.gz GTNSQBFTHLGWCL-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000332244497 532850445 /nfs/dbraw/zinc/85/04/45/532850445.db2.gz AIVZPNWQESUABU-UHFFFAOYSA-N 1 0 386.265 2.389 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415580413 532851053 /nfs/dbraw/zinc/85/10/53/532851053.db2.gz RDARPOYDOUBBGK-QWRGUYRKSA-N 1 0 391.269 2.132 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415576384 532850815 /nfs/dbraw/zinc/85/08/15/532850815.db2.gz YEDOCLIQQLOLLI-UHFFFAOYSA-N 1 0 382.180 2.262 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415608997 532851156 /nfs/dbraw/zinc/85/11/56/532851156.db2.gz GNZAADZOKAZZLN-JOYOIKCWSA-N 1 0 375.803 2.037 20 0 GEADRO C[NH2+]CCN(C)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415637808 532851564 /nfs/dbraw/zinc/85/15/64/532851564.db2.gz MZTTWBTZJNXOIT-UHFFFAOYSA-N 1 0 383.290 2.368 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000415640306 532851587 /nfs/dbraw/zinc/85/15/87/532851587.db2.gz RIDXRUQHXOJDMS-ZDUSSCGKSA-N 1 0 381.274 2.250 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415620221 532851462 /nfs/dbraw/zinc/85/14/62/532851462.db2.gz IKBYREUZRZQYIO-CABZTGNLSA-N 1 0 375.416 2.236 20 0 GEADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415632539 532851870 /nfs/dbraw/zinc/85/18/70/532851870.db2.gz OSNNXVXNPFTBBK-TXEJJXNPSA-N 1 0 393.285 2.013 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415641747 532851727 /nfs/dbraw/zinc/85/17/27/532851727.db2.gz GGWOXVWILJUPPU-IUCAKERBSA-N 1 0 376.201 2.052 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415657757 532852315 /nfs/dbraw/zinc/85/23/15/532852315.db2.gz QOSQIVXFOOQHEY-KOLCDFICSA-N 1 0 375.416 2.236 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415656932 532852167 /nfs/dbraw/zinc/85/21/67/532852167.db2.gz POYSYDNHUIXWLW-HQJQHLMTSA-N 1 0 392.656 2.294 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415665495 532852518 /nfs/dbraw/zinc/85/25/18/532852518.db2.gz DKTBJLULYXONGR-PWSUYJOCSA-N 1 0 384.274 2.043 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415658210 532852570 /nfs/dbraw/zinc/85/25/70/532852570.db2.gz QQIGJPBZPHGFDH-WCQYABFASA-N 1 0 398.301 2.289 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415658385 532852576 /nfs/dbraw/zinc/85/25/76/532852576.db2.gz LGCOKQHMICTKJV-SNVBAGLBSA-N 1 0 379.258 2.050 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415658207 532852595 /nfs/dbraw/zinc/85/25/95/532852595.db2.gz QQIGJPBZPHGFDH-AAEUAGOBSA-N 1 0 398.301 2.289 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415666122 532852798 /nfs/dbraw/zinc/85/27/98/532852798.db2.gz WKBWRPCLSKFXPO-WPRPVWTQSA-N 1 0 379.766 2.434 20 0 GEADRO O=C(Nc1ccc(Br)c2ccccc12)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415677557 532853155 /nfs/dbraw/zinc/85/31/55/532853155.db2.gz UXZSLBAQORIXRF-TXEJJXNPSA-N 1 0 388.265 2.219 20 0 GEADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nn1C ZINC000274619904 532853005 /nfs/dbraw/zinc/85/30/05/532853005.db2.gz TVCRRHVVWLYPBK-UHFFFAOYSA-N 1 0 395.301 2.395 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415667189 532853305 /nfs/dbraw/zinc/85/33/05/532853305.db2.gz XVSODFURSFWUSD-ONGXEEELSA-N 1 0 375.803 2.037 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415698137 532853985 /nfs/dbraw/zinc/85/39/85/532853985.db2.gz XUCKUZTUFAVLDP-QGZVFWFLSA-N 1 0 391.269 2.133 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289407241 532854004 /nfs/dbraw/zinc/85/40/04/532854004.db2.gz UJHDFLQCJGRQRC-JKSUJKDBSA-N 1 0 385.302 2.050 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000274694011 532854044 /nfs/dbraw/zinc/85/40/44/532854044.db2.gz RQJWPBYTKISTIX-AWEZNQCLSA-N 1 0 390.933 2.328 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1CCC([NH3+])CC1 ZINC000415724356 532854444 /nfs/dbraw/zinc/85/44/44/532854444.db2.gz MMZMHABPGGSVHR-UHFFFAOYSA-N 1 0 386.246 2.199 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1ccc2ncsc2c1 ZINC000274701696 532854450 /nfs/dbraw/zinc/85/44/50/532854450.db2.gz UTLNJQXWFJSFQH-UHFFFAOYSA-N 1 0 381.523 2.220 20 0 GEADRO COC(=O)c1cc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)cc1Br ZINC000415701309 532854193 /nfs/dbraw/zinc/85/41/93/532854193.db2.gz BJRMWFCVVKROAD-PHIMTYICSA-N 1 0 382.258 2.227 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000332383065 532854355 /nfs/dbraw/zinc/85/43/55/532854355.db2.gz VOZARTJPZDETGR-WHOFXGATSA-N 1 0 380.286 2.282 20 0 GEADRO Cc1cc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(F)cc1Br ZINC000415740282 532854905 /nfs/dbraw/zinc/85/49/05/532854905.db2.gz JCCYIBNHYJPLHZ-GFCCVEGCSA-N 1 0 385.281 2.408 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000415728265 532854975 /nfs/dbraw/zinc/85/49/75/532854975.db2.gz RWIVCEFCCFDYAH-HAQNSBGRSA-N 1 0 398.301 2.278 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415740080 532855121 /nfs/dbraw/zinc/85/51/21/532855121.db2.gz HYDIAVWVXRFXSR-XHDPSFHLSA-N 1 0 398.276 2.339 20 0 GEADRO CCOC(=O)C(C)(C)c1csc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000415748988 532855498 /nfs/dbraw/zinc/85/54/98/532855498.db2.gz REGCGRQOILOKEW-VIFPVBQESA-N 1 0 376.429 2.103 20 0 GEADRO C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415749835 532855512 /nfs/dbraw/zinc/85/55/12/532855512.db2.gz SLADZINBSYOXJQ-TVQRCGJNSA-N 1 0 382.251 2.066 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415740539 532855554 /nfs/dbraw/zinc/85/55/54/532855554.db2.gz JEERWDYVMSZRQT-SMDDNHRTSA-N 1 0 384.249 2.031 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000415747206 532855576 /nfs/dbraw/zinc/85/55/76/532855576.db2.gz WGHYJAMOSQRWJM-LLVKDONJSA-N 1 0 386.290 2.338 20 0 GEADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000289470388 532855813 /nfs/dbraw/zinc/85/58/13/532855813.db2.gz AUKDUUYEDLYBQH-HZPDHXFCSA-N 1 0 394.313 2.122 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415758933 532855952 /nfs/dbraw/zinc/85/59/52/532855952.db2.gz PWJOYFIKBUEYPT-SMDDNHRTSA-N 1 0 378.274 2.754 20 0 GEADRO COCC[NH2+]CCNC(=O)Nc1cc(Cl)ccc1I ZINC000415758464 532856041 /nfs/dbraw/zinc/85/60/41/532856041.db2.gz PEADTPIUUBWWRW-UHFFFAOYSA-N 1 0 397.644 2.302 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415742762 532855456 /nfs/dbraw/zinc/85/54/56/532855456.db2.gz BUVSDIDVABGZRX-GFCCVEGCSA-N 1 0 398.276 2.375 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415747512 532855457 /nfs/dbraw/zinc/85/54/57/532855457.db2.gz WSPXLBYNXAAGOX-QMMMGPOBSA-N 1 0 378.217 2.300 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(Br)c(C2CC2)n1 ZINC000415767066 532856568 /nfs/dbraw/zinc/85/65/68/532856568.db2.gz XANQMIZMNBDAMZ-UHFFFAOYSA-N 1 0 382.306 2.138 20 0 GEADRO O=C1NCCN1CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000289482096 532856175 /nfs/dbraw/zinc/85/61/75/532856175.db2.gz RVKLSLPONOBUAM-LBPRGKRZSA-N 1 0 396.207 2.116 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415763376 532856458 /nfs/dbraw/zinc/85/64/58/532856458.db2.gz XLJQJIYCNOLWOB-RYUDHWBXSA-N 1 0 378.274 2.836 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415764671 532856470 /nfs/dbraw/zinc/85/64/70/532856470.db2.gz ZXYFNLXTBVOZAF-ZDUSSCGKSA-N 1 0 378.274 2.851 20 0 GEADRO COc1cc(I)ccc1NC(=O)NCC1([NH3+])CCC1 ZINC000415772872 532856802 /nfs/dbraw/zinc/85/68/02/532856802.db2.gz LEKFVZRDBPIUPR-UHFFFAOYSA-N 1 0 375.210 2.303 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@@H]([NH3+])CC ZINC000415779740 532856850 /nfs/dbraw/zinc/85/68/50/532856850.db2.gz BJGLJVDZUOUHTA-VIFPVBQESA-N 1 0 392.681 2.293 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000415770286 532856700 /nfs/dbraw/zinc/85/67/00/532856700.db2.gz BJBLWVNVWUSAMH-SECBINFHSA-N 1 0 390.253 2.169 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(Br)c2ccccc12)C1CC([NH3+])C1 ZINC000415789058 532857229 /nfs/dbraw/zinc/85/72/29/532857229.db2.gz MNTCDDGDMBQDLK-UHFFFAOYSA-N 1 0 376.254 2.489 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000274819872 532857306 /nfs/dbraw/zinc/85/73/06/532857306.db2.gz VZJJECFBQCQKHE-UHFFFAOYSA-N 1 0 388.917 2.296 20 0 GEADRO CC(C)COc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc1Cl ZINC000415788807 532857324 /nfs/dbraw/zinc/85/73/24/532857324.db2.gz NABCBVSQKOIRAP-LBPRGKRZSA-N 1 0 377.819 2.412 20 0 GEADRO C[C@H](CNC(=O)c1nc2ccccc2cc1Br)N1CC[NH+](C)CC1 ZINC000289514255 532857469 /nfs/dbraw/zinc/85/74/69/532857469.db2.gz OYNFOPXGHUIYNH-CYBMUJFWSA-N 1 0 391.313 2.363 20 0 GEADRO COc1cc(I)ccc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415776684 532857104 /nfs/dbraw/zinc/85/71/04/532857104.db2.gz XNCPEKKOYHMXQG-JTQLQIEISA-N 1 0 377.226 2.405 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)C1 ZINC000332596878 532857956 /nfs/dbraw/zinc/85/79/56/532857956.db2.gz MFHYUUPKNCSADV-VXGBXAGGSA-N 1 0 384.307 2.464 20 0 GEADRO C[N@H+](C[C@@H](O)CN1CCO[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000289512134 532857605 /nfs/dbraw/zinc/85/76/05/532857605.db2.gz LVKVUKONMOJLOE-PBHICJAKSA-N 1 0 387.293 2.417 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415794409 532857625 /nfs/dbraw/zinc/85/76/25/532857625.db2.gz XIKSSEWGPLRLOK-JTQLQIEISA-N 1 0 384.267 2.361 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C(F)F ZINC000415794235 532857640 /nfs/dbraw/zinc/85/76/40/532857640.db2.gz VJXWBPZVCYVKGB-SECBINFHSA-N 1 0 384.608 2.140 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415802489 532858115 /nfs/dbraw/zinc/85/81/15/532858115.db2.gz IBOVLDGPYZTONZ-ZDUSSCGKSA-N 1 0 398.301 2.353 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415804470 532858292 /nfs/dbraw/zinc/85/82/92/532858292.db2.gz IDAXRMSGXJLRML-WCQYABFASA-N 1 0 398.301 2.420 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000289553407 532858324 /nfs/dbraw/zinc/85/83/24/532858324.db2.gz UMPLJWCDMWVIMY-UHFFFAOYSA-N 1 0 390.933 2.000 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415806158 532858344 /nfs/dbraw/zinc/85/83/44/532858344.db2.gz OMJPRONGBQQXKT-NSHDSACASA-N 1 0 386.265 2.484 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)CCO1 ZINC000274840910 532858000 /nfs/dbraw/zinc/85/80/00/532858000.db2.gz WQDKEOAZOZOTGX-AWEZNQCLSA-N 1 0 392.253 2.436 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1Br)[C@H](C)[NH3+] ZINC000415818209 532858755 /nfs/dbraw/zinc/85/87/55/532858755.db2.gz ZOZNAGYVWTVEKR-NKWVEPMBSA-N 1 0 393.079 2.002 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c(F)cc1Br ZINC000415821344 532858768 /nfs/dbraw/zinc/85/87/68/532858768.db2.gz GPVAQBWNGXIKRA-AWEZNQCLSA-N 1 0 386.265 2.469 20 0 GEADRO Brc1ccccc1-n1cc(C[NH2+]CCCO[C@@H]2CCOC2)nn1 ZINC000289553269 532858810 /nfs/dbraw/zinc/85/88/10/532858810.db2.gz QIWOJNOYGSTHFR-CQSZACIVSA-N 1 0 381.274 2.315 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415818211 532858902 /nfs/dbraw/zinc/85/89/02/532858902.db2.gz ZOZNAGYVWTVEKR-RNFRBKRXSA-N 1 0 393.079 2.002 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000415804830 532858403 /nfs/dbraw/zinc/85/84/03/532858403.db2.gz MKAOIPBLDYCBJY-LLVKDONJSA-N 1 0 384.274 2.045 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[C@H]1[NH3+] ZINC000332614205 532858544 /nfs/dbraw/zinc/85/85/44/532858544.db2.gz AYDMRGVCOYDTAX-XNRPHZJLSA-N 1 0 381.318 2.407 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415827290 532859329 /nfs/dbraw/zinc/85/93/29/532859329.db2.gz BOJKGPUNEFTMPD-WCQYABFASA-N 1 0 398.301 2.418 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000415835501 532859737 /nfs/dbraw/zinc/85/97/37/532859737.db2.gz JJCDUHXMJHDLSR-AWEZNQCLSA-N 1 0 384.274 2.030 20 0 GEADRO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000289586478 532859911 /nfs/dbraw/zinc/85/99/11/532859911.db2.gz KGIDNLGNIWEUML-ZDUSSCGKSA-N 1 0 394.313 2.174 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415842124 532859936 /nfs/dbraw/zinc/85/99/36/532859936.db2.gz PJTLMDXWGLSWHS-QLJPJBMISA-N 1 0 386.265 2.278 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000415849116 532860642 /nfs/dbraw/zinc/86/06/42/532860642.db2.gz MKTVYHSJPUBNSI-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C[C@H]1C[NH3+] ZINC000415849416 532860688 /nfs/dbraw/zinc/86/06/88/532860688.db2.gz MNLGITQOFRWQSZ-VHSXEESVSA-N 1 0 375.803 2.323 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000332694701 532860711 /nfs/dbraw/zinc/86/07/11/532860711.db2.gz VRINNWMXEHVHGT-IVMMDQJWSA-N 1 0 394.313 2.401 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000415853257 532860784 /nfs/dbraw/zinc/86/07/84/532860784.db2.gz SWXWEPHSLMDMMY-IUCAKERBSA-N 1 0 390.228 2.109 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415864566 532861001 /nfs/dbraw/zinc/86/10/01/532861001.db2.gz CRJUGAACIMGHHS-JBLDHEPKSA-N 1 0 384.249 2.031 20 0 GEADRO Cc1c(Br)cc(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)c(=O)n1C ZINC000289634619 532860880 /nfs/dbraw/zinc/86/08/80/532860880.db2.gz JDHNOGMFELKULO-ZWNOBZJWSA-N 1 0 395.257 2.042 20 0 GEADRO COc1cc(Cl)c(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000289631716 532860990 /nfs/dbraw/zinc/86/09/90/532860990.db2.gz KMQNZIAEOPNQOF-KRWDZBQOSA-N 1 0 385.917 2.149 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415859607 532861142 /nfs/dbraw/zinc/86/11/42/532861142.db2.gz BIXBBUMUUMYVKN-CYBMUJFWSA-N 1 0 398.301 2.433 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415873293 532861634 /nfs/dbraw/zinc/86/16/34/532861634.db2.gz UHQWOVVPCIGWFJ-OUAUKWLOSA-N 1 0 384.249 2.031 20 0 GEADRO C[NH2+]Cc1cccc(NC(=O)NCc2nn(C)cc2I)c1 ZINC000415926193 532862101 /nfs/dbraw/zinc/86/21/01/532862101.db2.gz CRMGICFGTMBYNZ-UHFFFAOYSA-N 1 0 399.236 2.066 20 0 GEADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415891324 532861840 /nfs/dbraw/zinc/86/18/40/532861840.db2.gz JVDNUHLBECCKNY-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H](CO)c1cccc(Br)c1 ZINC000416003224 532862472 /nfs/dbraw/zinc/86/24/72/532862472.db2.gz GKKGKKCELYZHGD-NWDGAFQWSA-N 1 0 398.223 2.404 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(F)(F)F ZINC000415992160 532862545 /nfs/dbraw/zinc/86/25/45/532862545.db2.gz AUHQALTWAPBXJW-NEPJUHHUSA-N 1 0 378.782 2.024 20 0 GEADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000333047392 532863329 /nfs/dbraw/zinc/86/33/29/532863329.db2.gz GJZHXKMROVWDGT-UHFFFAOYSA-N 1 0 380.501 2.373 20 0 GEADRO CCN(C[C@H]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C1)CC(F)(F)F ZINC000416033690 532863334 /nfs/dbraw/zinc/86/33/34/532863334.db2.gz SFJFWIQTJTWQNC-GHMZBOCLSA-N 1 0 378.361 2.182 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+][C@H]3CCc4cc(Br)ccc4C3)CC2)N1 ZINC000289667927 532862942 /nfs/dbraw/zinc/86/29/42/532862942.db2.gz NKRAXXDURKOPCM-CSLYMUCUSA-N 1 0 392.297 2.417 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000289694413 532863552 /nfs/dbraw/zinc/86/35/52/532863552.db2.gz SRFVECCCZMJEDK-ZFWWWQNUSA-N 1 0 385.917 2.451 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416175111 532865702 /nfs/dbraw/zinc/86/57/02/532865702.db2.gz DHEMCIHYEALEQP-CQSZACIVSA-N 1 0 381.673 2.213 20 0 GEADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333299072 532866367 /nfs/dbraw/zinc/86/63/67/532866367.db2.gz KEBDUQQAMCYPLT-NXEZZACHSA-N 1 0 381.864 3.071 20 0 GEADRO CSc1nsc(NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000333188415 532866141 /nfs/dbraw/zinc/86/61/41/532866141.db2.gz UYTCEYQGDOZTCK-UHFFFAOYSA-N 1 0 384.575 2.282 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333276796 532866255 /nfs/dbraw/zinc/86/62/55/532866255.db2.gz GXYHIQNVZHSZFS-VXGBXAGGSA-N 1 0 398.305 2.072 20 0 GEADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000289853812 532866724 /nfs/dbraw/zinc/86/67/24/532866724.db2.gz GBBLUWCRSJZHHY-HUUCEWRRSA-N 1 0 382.302 2.073 20 0 GEADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333339752 532867182 /nfs/dbraw/zinc/86/71/82/532867182.db2.gz PNHIATPFEGOEPS-VHSXEESVSA-N 1 0 381.864 3.071 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416202878 532866966 /nfs/dbraw/zinc/86/69/66/532866966.db2.gz KMODUUDFJFSVCV-UHFFFAOYSA-N 1 0 381.673 2.215 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000333342342 532867194 /nfs/dbraw/zinc/86/71/94/532867194.db2.gz YKAUHJFSMUVCEZ-MLGOLLRUSA-N 1 0 397.317 2.408 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000275173012 532867418 /nfs/dbraw/zinc/86/74/18/532867418.db2.gz CKYYDXJZNPKWJC-LBPRGKRZSA-N 1 0 398.301 2.313 20 0 GEADRO CS[C@H]1CN(C(=O)c2cn(CC(F)(F)F)nc2C)C[C@@H]1[NH+]1CCCC1 ZINC000275175981 532867606 /nfs/dbraw/zinc/86/76/06/532867606.db2.gz XYGBNHFCQDSFDR-KBPBESRZSA-N 1 0 376.448 2.406 20 0 GEADRO C[NH+](C)[C@@H](CC(=O)NCCn1cc(Br)ccc1=O)c1ccccc1 ZINC000416238449 532867958 /nfs/dbraw/zinc/86/79/58/532867958.db2.gz IAQPIOKPRFZPLC-INIZCTEOSA-N 1 0 392.297 2.420 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333390114 532868144 /nfs/dbraw/zinc/86/81/44/532868144.db2.gz XICRWZPPEKZXKA-CHWSQXEVSA-N 1 0 390.285 2.708 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1cc(Br)cs1 ZINC000416297441 532869318 /nfs/dbraw/zinc/86/93/18/532869318.db2.gz PSGKJSMBOUKQLA-NWDGAFQWSA-N 1 0 375.332 2.357 20 0 GEADRO C[C@@H]1CN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@@H](C)C[N@@H+]1CCO ZINC000416296631 532869337 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2.321 20 0 GEADRO C[C@H](CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000289976622 532869646 /nfs/dbraw/zinc/86/96/46/532869646.db2.gz QINGMMZXASHTEB-RHSMWYFYSA-N 1 0 380.330 2.449 20 0 GEADRO Cc1c(C(=O)NCC2([NH+](C)C)CC2)nnn1-c1cccc(Br)c1 ZINC000416301674 532869962 /nfs/dbraw/zinc/86/99/62/532869962.db2.gz MKFJHUWOPDLNLT-UHFFFAOYSA-N 1 0 378.274 2.162 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc(Br)c4)C3)C[C@@H]12 ZINC000333503436 532870009 /nfs/dbraw/zinc/87/00/09/532870009.db2.gz DNRHJINVOYPFSA-JWZBEHFJSA-N 1 0 393.329 2.407 20 0 GEADRO OCc1cn(CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)nn1 ZINC000290008011 532870084 /nfs/dbraw/zinc/87/00/84/532870084.db2.gz ZOIMMGFIQFIVPF-OAHLLOKOSA-N 1 0 381.274 2.427 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1c(F)ccc(Br)c1F ZINC000290029638 532870563 /nfs/dbraw/zinc/87/05/63/532870563.db2.gz GURUTXSWWFTWEY-UHFFFAOYSA-N 1 0 378.261 2.341 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000290020695 532870792 /nfs/dbraw/zinc/87/07/92/532870792.db2.gz RBYOCKYYBONRNI-MNOVXSKESA-N 1 0 380.388 2.315 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]c2cccc(Br)c21 ZINC000416320017 532871113 /nfs/dbraw/zinc/87/11/13/532871113.db2.gz ZBKFRRMJQOLHLE-RYUDHWBXSA-N 1 0 380.286 2.458 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC(c2cccc(Br)c2)CC1 ZINC000333572252 532870957 /nfs/dbraw/zinc/87/09/57/532870957.db2.gz SDTIREAGLHXUAV-INIZCTEOSA-N 1 0 382.302 2.327 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1F)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333550551 532870974 /nfs/dbraw/zinc/87/09/74/532870974.db2.gz JJEUIUHEMUCINS-UHFFFAOYSA-N 1 0 384.864 2.305 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000290061857 532871764 /nfs/dbraw/zinc/87/17/64/532871764.db2.gz HICKERBOAUYXIA-GFCCVEGCSA-N 1 0 379.263 2.206 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)C[C@@H]3CCCCC3(F)F)CC2)C1 ZINC000333656936 532871385 /nfs/dbraw/zinc/87/13/85/532871385.db2.gz KVJGNXUVZDMQRB-XHSDSOJGSA-N 1 0 380.501 2.360 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333645917 532871488 /nfs/dbraw/zinc/87/14/88/532871488.db2.gz IZVBBJNLGAEHAJ-HOCLYGCPSA-N 1 0 388.917 2.256 20 0 GEADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333645918 532871628 /nfs/dbraw/zinc/87/16/28/532871628.db2.gz IZVBBJNLGAEHAJ-ZBFHGGJFSA-N 1 0 388.917 2.256 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000416365621 532871960 /nfs/dbraw/zinc/87/19/60/532871960.db2.gz BAEBLBPMDNHWTL-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000290086382 532872355 /nfs/dbraw/zinc/87/23/55/532872355.db2.gz WXGYONRKDSIHBA-LBPRGKRZSA-N 1 0 379.507 2.345 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000290103915 532872713 /nfs/dbraw/zinc/87/27/13/532872713.db2.gz KOCDUKYYQUDKGI-JTQLQIEISA-N 1 0 376.272 2.092 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000416376876 532873321 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GEADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333837690 532874256 /nfs/dbraw/zinc/87/42/56/532874256.db2.gz NRHVYTPDURHUNF-ZDUSSCGKSA-N 1 0 392.297 2.157 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333872524 532874785 /nfs/dbraw/zinc/87/47/85/532874785.db2.gz SDPDPHUIJBLISZ-JSGCOSHPSA-N 1 0 386.901 2.264 20 0 GEADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290196941 532875163 /nfs/dbraw/zinc/87/51/63/532875163.db2.gz QWOZQSGXVNPBLN-QIPPXTIRSA-N 1 0 399.354 2.405 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000290286885 532877014 /nfs/dbraw/zinc/87/70/14/532877014.db2.gz ZRPINHBKWGOCIN-COPLHBTASA-N 1 0 389.315 2.189 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(Br)c1 ZINC000290288943 532877558 /nfs/dbraw/zinc/87/75/58/532877558.db2.gz ADOSKUBXWXZSJD-NSHDSACASA-N 1 0 390.299 2.150 20 0 GEADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000290314205 532878215 /nfs/dbraw/zinc/87/82/15/532878215.db2.gz IYIXNOFRDHAEGD-CYBMUJFWSA-N 1 0 383.539 2.314 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417264154 532879480 /nfs/dbraw/zinc/87/94/80/532879480.db2.gz RSQBPYOQJNHRER-DZGCQCFKSA-N 1 0 381.318 2.408 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCc2ccc(I)s2)C1 ZINC000417442723 532879794 /nfs/dbraw/zinc/87/97/94/532879794.db2.gz VRIQAFQDVKZVAW-ZDUSSCGKSA-N 1 0 393.294 2.276 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000290296313 532877389 /nfs/dbraw/zinc/87/73/89/532877389.db2.gz YJAINJKYWYYBDW-ZDUSSCGKSA-N 1 0 377.304 2.144 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418921460 532881559 /nfs/dbraw/zinc/88/15/59/532881559.db2.gz CVHAJVUCAXSHSM-HOTGVXAUSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419575510 532882171 /nfs/dbraw/zinc/88/21/71/532882171.db2.gz UCDBJTGNZZWILQ-XIKOKIGWSA-N 1 0 384.307 2.253 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000419529444 532882309 /nfs/dbraw/zinc/88/23/09/532882309.db2.gz XTRZPUMSYWXEQF-WFASDCNBSA-N 1 0 396.329 2.039 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)s1 ZINC000419721700 532882913 /nfs/dbraw/zinc/88/29/13/532882913.db2.gz ZOCCJUSSFKBDCX-AXFHLTTASA-N 1 0 386.315 2.041 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000419883599 532883205 /nfs/dbraw/zinc/88/32/05/532883205.db2.gz ZJLFZEAHKKPMGF-UHFFFAOYSA-N 1 0 384.318 2.159 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419874549 532883333 /nfs/dbraw/zinc/88/33/33/532883333.db2.gz ZXUFRVNGTAVDBN-OAHLLOKOSA-N 1 0 396.329 2.302 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420454911 532883455 /nfs/dbraw/zinc/88/34/55/532883455.db2.gz FILODIQAHCLHPU-MLGOLLRUSA-N 1 0 386.901 2.279 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)NC[C@H](O)COc1ccccc1Br ZINC000418425891 532880584 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Cc1cccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1Br ZINC000275993743 532887020 /nfs/dbraw/zinc/88/70/20/532887020.db2.gz FTNZDLWXDBKQAQ-LBPRGKRZSA-N 1 0 380.286 2.463 20 0 GEADRO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000420940626 532887606 /nfs/dbraw/zinc/88/76/06/532887606.db2.gz MZJVGUXHLPNSFY-NWDGAFQWSA-N 1 0 388.249 2.180 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2N2CCOCC2)cc1Cl ZINC000360231820 532889939 /nfs/dbraw/zinc/88/99/39/532889939.db2.gz ZGLFEQOCMNMITI-XJKSGUPXSA-N 1 0 388.917 2.128 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1Br ZINC000276182166 532890190 /nfs/dbraw/zinc/89/01/90/532890190.db2.gz TZTIRGSLGRSBLQ-NSHDSACASA-N 1 0 396.285 2.163 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000290825120 532890213 /nfs/dbraw/zinc/89/02/13/532890213.db2.gz AZTAHJMMQPYIAW-GFCCVEGCSA-N 1 0 375.922 2.098 20 0 GEADRO O=C(Nc1cccc(Br)n1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000276054859 532888377 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COc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000361030844 532891747 /nfs/dbraw/zinc/89/17/47/532891747.db2.gz DDCKJLXGGKVSHH-SJKOYZFVSA-N 1 0 396.285 2.268 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000276222333 532891854 /nfs/dbraw/zinc/89/18/54/532891854.db2.gz XCRLVVKWKGCPHB-LBPRGKRZSA-N 1 0 380.286 2.463 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000360942305 532892070 /nfs/dbraw/zinc/89/20/70/532892070.db2.gz PQRFKCNTCYXHEZ-XGWLTEMNSA-N 1 0 382.913 2.300 20 0 GEADRO CC(C)(CNC(=O)c1cn(CCC[NH3+])nn1)c1ccc(Br)cc1 ZINC000423042356 532892691 /nfs/dbraw/zinc/89/26/91/532892691.db2.gz KTHSOLWZZTWBJR-UHFFFAOYSA-N 1 0 380.290 2.097 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423094866 532893413 /nfs/dbraw/zinc/89/34/13/532893413.db2.gz CXVMRRWOXAQYBV-GOSISDBHSA-N 1 0 396.329 2.383 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000423078516 532893439 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C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C[C@H]1C[NH3+] ZINC000424028613 532894649 /nfs/dbraw/zinc/89/46/49/532894649.db2.gz YUNHVCUUEWYSAF-MCIONIFRSA-N 1 0 394.313 2.245 20 0 GEADRO C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000424017380 532894671 /nfs/dbraw/zinc/89/46/71/532894671.db2.gz OXFNEZXHLWDUQG-OCCSQVGLSA-N 1 0 382.302 2.012 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)CC1 ZINC000423022323 532892717 /nfs/dbraw/zinc/89/27/17/532892717.db2.gz HNSSQFUGJVCLHE-SNVBAGLBSA-N 1 0 388.331 2.055 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)nn1 ZINC000423009550 532892753 /nfs/dbraw/zinc/89/27/53/532892753.db2.gz DHKYNBQWLJORBK-HNNXBMFYSA-N 1 0 378.274 2.367 20 0 GEADRO COC[C@@]1(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)CC[NH2+]C1 ZINC000423043827 532892822 /nfs/dbraw/zinc/89/28/22/532892822.db2.gz ABLNBILWDFMBBZ-APPDUMDISA-N 1 0 399.285 2.024 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000423041733 532892872 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O=C(Cc1ccc(Cl)cc1Cl)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363220255 532897736 /nfs/dbraw/zinc/89/77/36/532897736.db2.gz YBHSNTDIJHZTGQ-MRXNPFEDSA-N 1 0 386.323 2.059 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000291197532 532897955 /nfs/dbraw/zinc/89/79/55/532897955.db2.gz AYSUVLFEHSQNOP-WCQYABFASA-N 1 0 397.317 2.328 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000291202244 532897968 /nfs/dbraw/zinc/89/79/68/532897968.db2.gz AOWNLLDBPRPYAD-WCQYABFASA-N 1 0 397.317 2.328 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cnc2Br)C1 ZINC000291286053 532899504 /nfs/dbraw/zinc/89/95/04/532899504.db2.gz IMKLYUSJPQWCNL-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)cnc1Br ZINC000291293344 532899911 /nfs/dbraw/zinc/89/99/11/532899911.db2.gz JBDAHBNFLHLUKP-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO O=C(NCCC[NH+]1CCC(Cn2cc(Br)cn2)CC1)C(F)(F)F ZINC000363686850 532900108 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C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000364199661 532904514 /nfs/dbraw/zinc/90/45/14/532904514.db2.gz CRPVCTNGDFYSJF-SNVBAGLBSA-N 1 0 376.682 2.026 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cnc2Br)[C@H](C)C1 ZINC000291651693 532906318 /nfs/dbraw/zinc/90/63/18/532906318.db2.gz DWLSBKIUHIDAJP-OCCSQVGLSA-N 1 0 397.317 2.280 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cc3ccccc3nc2Br)CC1 ZINC000277049896 532906875 /nfs/dbraw/zinc/90/68/75/532906875.db2.gz IABXTIIHOYOHER-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO O=C(/C=C/c1c(Cl)nc2sccn12)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364431170 532906902 /nfs/dbraw/zinc/90/69/02/532906902.db2.gz RSYGLHFDTRBLHQ-BSWNYTGASA-N 1 0 380.901 2.120 20 0 GEADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000291705158 532907319 /nfs/dbraw/zinc/90/73/19/532907319.db2.gz JCFLBSACMQADPZ-JTQLQIEISA-N 1 0 376.404 2.187 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)CC[C@H]21 ZINC000291708355 532907352 /nfs/dbraw/zinc/90/73/52/532907352.db2.gz JHTNKZMORCNCAX-NXEZZACHSA-N 1 0 376.404 2.043 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000291846232 532909567 /nfs/dbraw/zinc/90/95/67/532909567.db2.gz SVDGXMXLNSZVRV-TZMCWYRMSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)nnn1-c1cccc(Br)c1 ZINC000365371274 532910267 /nfs/dbraw/zinc/91/02/67/532910267.db2.gz HFSMRPNONZWYCH-WFASDCNBSA-N 1 0 390.285 2.162 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000364855494 532908476 /nfs/dbraw/zinc/90/84/76/532908476.db2.gz IFYXFCZGYALEOW-ZIAGYGMSSA-N 1 0 385.917 2.170 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000291785028 532908589 /nfs/dbraw/zinc/90/85/89/532908589.db2.gz FZRQQPVUAOQGOZ-GFCCVEGCSA-N 1 0 375.922 2.049 20 0 GEADRO O=C1[C@@H]([NH2+]C2CCS(=O)(=O)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000365846786 532912436 /nfs/dbraw/zinc/91/24/36/532912436.db2.gz KGNHOOLUOKXURA-ZDUSSCGKSA-N 1 0 377.293 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ZINC000736452981 599169014 /nfs/dbraw/zinc/16/90/14/599169014.db2.gz ZYTZLTJVCCIXKZ-UHFFFAOYSA-N 1 0 399.499 2.489 20 0 GEADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736351476 599180928 /nfs/dbraw/zinc/18/09/28/599180928.db2.gz GLHSPSAFEUHOPP-UKRRQHHQSA-N 1 0 386.891 2.369 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000737062781 599188589 /nfs/dbraw/zinc/18/85/89/599188589.db2.gz NEBPHXPQVPKHSG-OAHLLOKOSA-N 1 0 375.477 2.363 20 0 GEADRO COc1cc(C[NH+]2CCC(O)CC2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045821 599207976 /nfs/dbraw/zinc/20/79/76/599207976.db2.gz OMZARSAUNDAAGB-UHFFFAOYSA-N 1 0 395.463 2.411 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821180566 599208879 /nfs/dbraw/zinc/20/88/79/599208879.db2.gz FFOYQGNGFHFYSG-QGZVFWFLSA-N 1 0 386.500 2.359 20 0 GEADRO O=C(C[N@@H+](CCc1ccc(F)cc1)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737863597 599217800 /nfs/dbraw/zinc/21/78/00/599217800.db2.gz GCISDVCWWVCQEB-UHFFFAOYSA-N 1 0 394.454 2.329 20 0 GEADRO CCC[N@H+](CCn1cnc2ccccc2c1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736481221 599233291 /nfs/dbraw/zinc/23/32/91/599233291.db2.gz XNDDUVQPTPIHHC-UHFFFAOYSA-N 1 0 389.463 2.489 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000737546066 599227785 /nfs/dbraw/zinc/22/77/85/599227785.db2.gz CBZFFVXQWACPAK-DZGCQCFKSA-N 1 0 395.467 2.258 20 0 GEADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881206 597080377 /nfs/dbraw/zinc/08/03/77/597080377.db2.gz DKHUEENXHFXVOO-HKUYNNGSSA-N 1 0 387.524 2.342 20 0 GEADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881208 597080566 /nfs/dbraw/zinc/08/05/66/597080566.db2.gz DKHUEENXHFXVOO-MJGOQNOKSA-N 1 0 387.524 2.342 20 0 GEADRO O=C([O-])C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000676232675 597087465 /nfs/dbraw/zinc/08/74/65/597087465.db2.gz GVPXIABRWFTJTE-KRWDZBQOSA-N 1 0 391.537 2.361 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000736249334 599250565 /nfs/dbraw/zinc/25/05/65/599250565.db2.gz KLGNOGKUOBTHPN-HUUCEWRRSA-N 1 0 397.483 2.099 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000820152220 599260848 /nfs/dbraw/zinc/26/08/48/599260848.db2.gz UMJSVXVOYMIAFO-OAHLLOKOSA-N 1 0 383.456 2.132 20 0 GEADRO C[C@@H]1C[NH+](C(C)(C)CNc2c(-c3nn[nH]n3)cnc3ccccc32)C[C@@H](C)O1 ZINC000736290839 599261098 /nfs/dbraw/zinc/26/10/98/599261098.db2.gz KAMIMGLDFYRQEP-ZIAGYGMSSA-N 1 0 381.484 2.137 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000737247979 599264243 /nfs/dbraw/zinc/26/42/43/599264243.db2.gz CJJSYNXSFCVGQK-IYBDPMFKSA-N 1 0 395.511 2.365 20 0 GEADRO c1ccc(-c2ccc(C[NH+]3CCN([C@@H]4CCOC4)CC3)cc2)c(-c2nn[nH]n2)c1 ZINC000823766564 607313141 /nfs/dbraw/zinc/31/31/41/607313141.db2.gz FGHZXRDPYFGWQF-LJQANCHMSA-N 1 0 390.491 2.440 20 0 GEADRO COc1ccc(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1-c1nn[nH]n1 ZINC000821821683 607314955 /nfs/dbraw/zinc/31/49/55/607314955.db2.gz QXOFWQAYVHMBDD-UHFFFAOYSA-N 1 0 395.467 2.378 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000737410241 599265730 /nfs/dbraw/zinc/26/57/30/599265730.db2.gz QOACXQZKEBPOQO-HUUCEWRRSA-N 1 0 395.511 2.445 20 0 GEADRO C[NH+](C)C1(CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)Cc2ccccc2C1 ZINC000821581037 599277229 /nfs/dbraw/zinc/27/72/29/599277229.db2.gz BAFXXIJWTJUMDP-UHFFFAOYSA-N 1 0 395.442 2.227 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000821180729 599277319 /nfs/dbraw/zinc/27/73/19/599277319.db2.gz GHCBFJRHJPWKIS-LBPRGKRZSA-N 1 0 395.414 2.416 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000820656572 599290978 /nfs/dbraw/zinc/29/09/78/599290978.db2.gz GNTSRHBCJFTBGR-ONGXEEELSA-N 1 0 383.378 2.490 20 0 GEADRO FC(F)(F)c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1-c1nn[nH]n1 ZINC000822724058 607344898 /nfs/dbraw/zinc/34/48/98/607344898.db2.gz XNPVXBASLYUAIR-ZDUSSCGKSA-N 1 0 382.390 2.187 20 0 GEADRO CC(C)C[C@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735794961 598233880 /nfs/dbraw/zinc/23/38/80/598233880.db2.gz JGEHWVHHJBJPLB-OXQOHEQNSA-N 1 0 397.483 2.102 20 0 GEADRO O[C@@H](COc1ccccc1)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738389728 598249757 /nfs/dbraw/zinc/24/97/57/598249757.db2.gz ZNXZWVLEQNMENN-QGZVFWFLSA-N 1 0 395.463 2.150 20 0 GEADRO Cc1ccccc1[C@H]1CC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737424844 598255107 /nfs/dbraw/zinc/25/51/07/598255107.db2.gz XYZYNDLIFTZGLY-SFHVURJKSA-N 1 0 376.464 2.281 20 0 GEADRO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735518496 598261713 /nfs/dbraw/zinc/26/17/13/598261713.db2.gz FTVFGLIMOYUPAF-HNNXBMFYSA-N 1 0 384.484 2.111 20 0 GEADRO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738165733 598301259 /nfs/dbraw/zinc/30/12/59/598301259.db2.gz NNRIORZHTTXLEE-KRWDZBQOSA-N 1 0 381.415 2.402 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000738408700 598321300 /nfs/dbraw/zinc/32/13/00/598321300.db2.gz ODDPJJBZCDTYQJ-RYUDHWBXSA-N 1 0 377.905 2.433 20 0 GEADRO CC(C)C[NH+](CC(C)C)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000735827973 598333568 /nfs/dbraw/zinc/33/35/68/598333568.db2.gz VZEKNBRXACHSBQ-UHFFFAOYSA-N 1 0 399.499 2.202 20 0 GEADRO CC(C)C[C@@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000735794720 598334035 /nfs/dbraw/zinc/33/40/35/598334035.db2.gz CEZPCZJBNKYLOX-KRWDZBQOSA-N 1 0 397.483 2.099 20 0 GEADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000736524262 598361607 /nfs/dbraw/zinc/36/16/07/598361607.db2.gz TZOGQDXNBJPLNC-AWEZNQCLSA-N 1 0 376.530 2.337 20 0 GEADRO CCOCC[N@@H+]1CCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C[C@@H]1CC ZINC000736623676 598366248 /nfs/dbraw/zinc/36/62/48/598366248.db2.gz LDZSROVBTJXJRB-KRWDZBQOSA-N 1 0 383.500 2.052 20 0 GEADRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737473779 598367978 /nfs/dbraw/zinc/36/79/78/598367978.db2.gz GRFHKRFXLDHVKY-QGZVFWFLSA-N 1 0 396.499 2.256 20 0 GEADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)[C@H]1CCOC1 ZINC000736793531 598406576 /nfs/dbraw/zinc/40/65/76/598406576.db2.gz YRRVQMQBNSQUIS-LBPRGKRZSA-N 1 0 390.513 2.246 20 0 GEADRO CCOC(=O)N(C)C1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736600833 598412804 /nfs/dbraw/zinc/41/28/04/598412804.db2.gz WPCWYNHSUGDSLG-UHFFFAOYSA-N 1 0 383.456 2.172 20 0 GEADRO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C[C@@H](C)O ZINC000736148050 598415616 /nfs/dbraw/zinc/41/56/16/598415616.db2.gz PADPBOZAQICGDO-GFCCVEGCSA-N 1 0 392.529 2.227 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736321578 598424269 /nfs/dbraw/zinc/42/42/69/598424269.db2.gz CQCDTPKCJYFDOF-AWEZNQCLSA-N 1 0 398.467 2.499 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738044159 598450128 /nfs/dbraw/zinc/45/01/28/598450128.db2.gz HONASUJKDKDWDC-KRWDZBQOSA-N 1 0 377.452 2.046 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000736170561 598454714 /nfs/dbraw/zinc/45/47/14/598454714.db2.gz QOFCSXMSLHEPDY-WBVHZDCISA-N 1 0 384.484 2.111 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000735734850 598466898 /nfs/dbraw/zinc/46/68/98/598466898.db2.gz PHFPULPPOBOAID-APWZRJJASA-N 1 0 398.511 2.357 20 0 GEADRO CN(CC[N@H+](C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000736798660 598469873 /nfs/dbraw/zinc/46/98/73/598469873.db2.gz FEEBSNUFENIKGW-IBGZPJMESA-N 1 0 391.479 2.040 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738037499 598478961 /nfs/dbraw/zinc/47/89/61/598478961.db2.gz WHXZXNDHYWTCII-FUHWJXTLSA-N 1 0 381.484 2.168 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000736168625 598501068 /nfs/dbraw/zinc/50/10/68/598501068.db2.gz IWZWQCFLQOBNSE-WBVHZDCISA-N 1 0 384.484 2.111 20 0 GEADRO C[C@H](CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)[N@H+](C)C1CC1 ZINC000736025698 598502452 /nfs/dbraw/zinc/50/24/52/598502452.db2.gz MLFHHQPOGIPSOV-CYBMUJFWSA-N 1 0 396.451 2.251 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000736765177 598509995 /nfs/dbraw/zinc/50/99/95/598509995.db2.gz VHLXDDCGPGTSQC-AWEZNQCLSA-N 1 0 396.451 2.205 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000737549179 598520949 /nfs/dbraw/zinc/52/09/49/598520949.db2.gz UITZEONZDUPQDB-UHFFFAOYSA-N 1 0 383.456 2.115 20 0 GEADRO CN1CC[NH+](C[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)c2ccccc2)CC1 ZINC000736863430 598522875 /nfs/dbraw/zinc/52/28/75/598522875.db2.gz KPUKXIFKTNLQOA-GOSISDBHSA-N 1 0 381.459 2.406 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(OC(F)F)c1 ZINC000736137963 598523236 /nfs/dbraw/zinc/52/32/36/598523236.db2.gz ZACHCMBRMPQHSR-MNOVXSKESA-N 1 0 390.398 2.057 20 0 GEADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735987325 598525374 /nfs/dbraw/zinc/52/53/74/598525374.db2.gz YQUDBOMISVDIMI-HUUCEWRRSA-N 1 0 380.500 2.451 20 0 GEADRO CN1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)Cc2ccccc21 ZINC000736865244 598526378 /nfs/dbraw/zinc/52/63/78/598526378.db2.gz XMZKEKJXCRGOKJ-UHFFFAOYSA-N 1 0 377.452 2.147 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)C2 ZINC000738428645 598526826 /nfs/dbraw/zinc/52/68/26/598526826.db2.gz QASORSGTNRQDEL-QILLFSRXSA-N 1 0 378.484 2.421 20 0 GEADRO Clc1ccc2c(CC[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c[nH]c2c1 ZINC000737574836 598528199 /nfs/dbraw/zinc/52/81/99/598528199.db2.gz UHDRNTNINLCCJG-NSHDSACASA-N 1 0 397.874 2.072 20 0 GEADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736457071 598540461 /nfs/dbraw/zinc/54/04/61/598540461.db2.gz LIYOOEDQOISWDQ-MRXNPFEDSA-N 1 0 389.479 2.460 20 0 GEADRO CO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000736961045 598554866 /nfs/dbraw/zinc/55/48/66/598554866.db2.gz JXMCPRRQQCEDEW-GFCCVEGCSA-N 1 0 390.513 2.246 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736534789 598556037 /nfs/dbraw/zinc/55/60/37/598556037.db2.gz RCCLYTQPQRJYTE-CQSZACIVSA-N 1 0 398.467 2.499 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000738065981 598557999 /nfs/dbraw/zinc/55/79/99/598557999.db2.gz OXTFGUFWINJKKM-UHFFFAOYSA-N 1 0 396.451 2.254 20 0 GEADRO O=C(CC1CCCC1)NC1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000737811331 598559014 /nfs/dbraw/zinc/55/90/14/598559014.db2.gz ACSVWMBWAGFLEC-UHFFFAOYSA-N 1 0 398.511 2.406 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736266925 598561592 /nfs/dbraw/zinc/56/15/92/598561592.db2.gz LDLIEMBPYHPLGN-LLVKDONJSA-N 1 0 395.414 2.464 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735619040 598594508 /nfs/dbraw/zinc/59/45/08/598594508.db2.gz RDQOSXTZCMALAU-SFHVURJKSA-N 1 0 397.527 2.215 20 0 GEADRO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735619655 598595833 /nfs/dbraw/zinc/59/58/33/598595833.db2.gz VRXTWZDKKQNKPM-SFHVURJKSA-N 1 0 397.527 2.168 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C)CC1 ZINC000736276544 598596576 /nfs/dbraw/zinc/59/65/76/598596576.db2.gz IPIXVLRMUOIDQZ-QFBILLFUSA-N 1 0 397.527 2.072 20 0 GEADRO C[NH+](C)[C@H]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000736761351 598601905 /nfs/dbraw/zinc/60/19/05/598601905.db2.gz DPXXWLIIXJVNIS-JTQLQIEISA-N 1 0 375.383 2.157 20 0 GEADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736797396 598621541 /nfs/dbraw/zinc/62/15/41/598621541.db2.gz HOLMKEIYSQTNBH-LJQANCHMSA-N 1 0 392.463 2.373 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)nc2)C1 ZINC000736756488 598623458 /nfs/dbraw/zinc/62/34/58/598623458.db2.gz JOHAONGDOXSMDQ-OAHLLOKOSA-N 1 0 394.439 2.222 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736761553 598626260 /nfs/dbraw/zinc/62/62/60/598626260.db2.gz GPHPEDRNXGNQAE-OAHLLOKOSA-N 1 0 383.431 2.300 20 0 GEADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000737944190 598666763 /nfs/dbraw/zinc/66/67/63/598666763.db2.gz WRISLQBAAYGLSP-UHFFFAOYSA-N 1 0 386.525 2.436 20 0 GEADRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)C1 ZINC000736267985 598680169 /nfs/dbraw/zinc/68/01/69/598680169.db2.gz VNAHYSAHQMCBSH-AWEZNQCLSA-N 1 0 386.475 2.476 20 0 GEADRO C[C@H](CNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)[NH+]1CCCCC1 ZINC000736009054 598684383 /nfs/dbraw/zinc/68/43/83/598684383.db2.gz VTHKOEQHHZWTBL-MRXNPFEDSA-N 1 0 386.500 2.406 20 0 GEADRO C[C@@H](CNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C[NH+]1CCCC1 ZINC000736008406 598684397 /nfs/dbraw/zinc/68/43/97/598684397.db2.gz LFLMDYLAPCVORA-INIZCTEOSA-N 1 0 386.500 2.264 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736849371 598688455 /nfs/dbraw/zinc/68/84/55/598688455.db2.gz SUOHWXHUTXHQOA-UHFFFAOYSA-N 1 0 386.500 2.216 20 0 GEADRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H](C)O1 ZINC000736407403 598706537 /nfs/dbraw/zinc/70/65/37/598706537.db2.gz GSTAVSQAWJLCIY-AAEUAGOBSA-N 1 0 378.864 2.348 20 0 GEADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H](C)O1 ZINC000736408922 598706558 /nfs/dbraw/zinc/70/65/58/598706558.db2.gz LBOQAFSRBAEZLH-NWDGAFQWSA-N 1 0 390.513 2.245 20 0 GEADRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H](C)O1 ZINC000736408924 598706958 /nfs/dbraw/zinc/70/69/58/598706958.db2.gz LBOQAFSRBAEZLH-RYUDHWBXSA-N 1 0 390.513 2.245 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCOc1ccccc1-c1nn[nH]n1 ZINC000737194624 598707785 /nfs/dbraw/zinc/70/77/85/598707785.db2.gz PPYMHSUBTKJUMQ-QGZVFWFLSA-N 1 0 378.480 2.452 20 0 GEADRO C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@H+](C)Cc1ccccc1 ZINC000736016815 598716570 /nfs/dbraw/zinc/71/65/70/598716570.db2.gz DMWVNMKXNFNXQJ-AWEZNQCLSA-N 1 0 397.458 2.326 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NCC[NH+]1CCCCCC1 ZINC000737831732 598718669 /nfs/dbraw/zinc/71/86/69/598718669.db2.gz DBCYHNZIMOMGCE-UHFFFAOYSA-N 1 0 386.500 2.408 20 0 GEADRO COCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccc2c(c1)OCO2 ZINC000736994414 598727549 /nfs/dbraw/zinc/72/75/49/598727549.db2.gz HMOYOYCFRFTMST-UHFFFAOYSA-N 1 0 397.435 2.123 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000735888164 598730284 /nfs/dbraw/zinc/73/02/84/598730284.db2.gz IBFQZIJOHQQEMN-GFCCVEGCSA-N 1 0 395.414 2.462 20 0 GEADRO CC(C)Oc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000820174785 607366945 /nfs/dbraw/zinc/36/69/45/607366945.db2.gz XUDKOCXAUOHTFZ-UHFFFAOYSA-N 1 0 375.502 2.035 20 0 GEADRO C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccc1 ZINC000735975965 598813598 /nfs/dbraw/zinc/81/35/98/598813598.db2.gz RJMMVCBIMPCWSH-KRWDZBQOSA-N 1 0 393.495 2.354 20 0 GEADRO C[C@@H](C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1CCCCCC1 ZINC000735517522 599320561 /nfs/dbraw/zinc/32/05/61/599320561.db2.gz BVMIRWGFPJBWTH-KRWDZBQOSA-N 1 0 397.527 2.170 20 0 GEADRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821286878 599369295 /nfs/dbraw/zinc/36/92/95/599369295.db2.gz YTXWTWVFJSBEFO-CQSZACIVSA-N 1 0 380.452 2.232 20 0 GEADRO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420561 599379497 /nfs/dbraw/zinc/37/94/97/599379497.db2.gz SYQLZHNFCIMGFX-AWEZNQCLSA-N 1 0 378.436 2.333 20 0 GEADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413977 599379828 /nfs/dbraw/zinc/37/98/28/599379828.db2.gz WKMUTICHYVLVNA-QAPCUYQASA-N 1 0 392.463 2.197 20 0 GEADRO C[C@H](C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1cccc(Cl)c1 ZINC000820274318 599381237 /nfs/dbraw/zinc/38/12/37/599381237.db2.gz HCBWFYRBZJCEFH-BZNIZROVSA-N 1 0 386.843 2.104 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000819922530 599381597 /nfs/dbraw/zinc/38/15/97/599381597.db2.gz KYBLUKHDTZQJDY-UHFFFAOYSA-N 1 0 381.440 2.172 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C12CCCC2 ZINC000821359265 599386818 /nfs/dbraw/zinc/38/68/18/599386818.db2.gz NANGIABIFGSLGN-KZNAEPCWSA-N 1 0 396.495 2.299 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)NC1CCCCC1 ZINC000820414564 599388553 /nfs/dbraw/zinc/38/85/53/599388553.db2.gz ZFUBPYAYVPLBAA-CHWSQXEVSA-N 1 0 385.472 2.064 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000820410030 599389594 /nfs/dbraw/zinc/38/95/94/599389594.db2.gz CBPBKMJDNUTGOY-STQMWFEESA-N 1 0 394.435 2.316 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccsc1 ZINC000821579845 599407385 /nfs/dbraw/zinc/40/73/85/599407385.db2.gz QAUSBQSUNYYNIL-HNNXBMFYSA-N 1 0 389.460 2.169 20 0 GEADRO c1ccc(N2CC[NH+](CCCCNc3cccc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000738434282 599413931 /nfs/dbraw/zinc/41/39/31/599413931.db2.gz CAUUOZFPCXHBSA-UHFFFAOYSA-N 1 0 378.484 2.276 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000820711244 599422529 /nfs/dbraw/zinc/42/25/29/599422529.db2.gz VQDHOQRSUVXEBX-ZDUSSCGKSA-N 1 0 389.479 2.316 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736860351 599434182 /nfs/dbraw/zinc/43/41/82/599434182.db2.gz NOYUGAPAWAOABT-HNNXBMFYSA-N 1 0 375.908 2.126 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1-c1nn[nH]n1 ZINC000821809107 599434213 /nfs/dbraw/zinc/43/42/13/599434213.db2.gz MDXVUGZWOUSRAX-OAHLLOKOSA-N 1 0 398.854 2.424 20 0 GEADRO C[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[N@H+](C)Cc1ccccc1 ZINC000820269690 599438138 /nfs/dbraw/zinc/43/81/38/599438138.db2.gz NXYJBHBRBCIWML-CQSZACIVSA-N 1 0 397.458 2.326 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc(OC(C)C)c2)cc1-c1nn[nH]n1 ZINC000821808535 599442237 /nfs/dbraw/zinc/44/22/37/599442237.db2.gz HTBLTSDPDVVWGQ-GOSISDBHSA-N 1 0 383.452 2.486 20 0 GEADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823797811 599475351 /nfs/dbraw/zinc/47/53/51/599475351.db2.gz SOGGEXRJSRIYSJ-OAHLLOKOSA-N 1 0 379.468 2.470 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000738425213 599483164 /nfs/dbraw/zinc/48/31/64/599483164.db2.gz MAYHFXCABXLTKF-IBGZPJMESA-N 1 0 388.479 2.441 20 0 GEADRO CCc1nc2ccccc2n1CC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736704908 599487886 /nfs/dbraw/zinc/48/78/86/599487886.db2.gz CVJOYVNGFLHLHG-UHFFFAOYSA-N 1 0 387.451 2.216 20 0 GEADRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736201160 599487964 /nfs/dbraw/zinc/48/79/64/599487964.db2.gz HCGWJEDTTDVDEH-MAUKXSAKSA-N 1 0 388.479 2.440 20 0 GEADRO CC(C)(C)c1cn2c(n1)CC[C@@H]([NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)C2 ZINC000735652417 599488167 /nfs/dbraw/zinc/48/81/67/599488167.db2.gz KGOGYHWSADVNPD-CQSZACIVSA-N 1 0 391.483 2.113 20 0 GEADRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000737202070 599507161 /nfs/dbraw/zinc/50/71/61/599507161.db2.gz JATHOMAZVJOYBL-UHFFFAOYSA-N 1 0 379.468 2.368 20 0 GEADRO COc1cc[nH+]c(N2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)CC2)c1 ZINC000821904251 599528764 /nfs/dbraw/zinc/52/87/64/599528764.db2.gz TZGLITPXHVTARM-UHFFFAOYSA-N 1 0 388.435 2.145 20 0 GEADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2NCC1([NH+]2CCCC2)CCOCC1 ZINC000823798336 599530703 /nfs/dbraw/zinc/53/07/03/599530703.db2.gz WMZXOBOUPNRWQJ-UHFFFAOYSA-N 1 0 379.468 2.472 20 0 GEADRO CC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC[N@@H+]1CCOC ZINC000820994692 599533659 /nfs/dbraw/zinc/53/36/59/599533659.db2.gz KGSCNXQGGAVBDF-OAHLLOKOSA-N 1 0 381.484 2.270 20 0 GEADRO C[C@@H](CNc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)C[NH+]1CCOCC1 ZINC000736027029 599534288 /nfs/dbraw/zinc/53/42/88/599534288.db2.gz VKIAUAOZQYVCLN-NSHDSACASA-N 1 0 389.410 2.073 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000736232595 599554623 /nfs/dbraw/zinc/55/46/23/599554623.db2.gz ZPDPPURAIXISSU-QAPCUYQASA-N 1 0 391.479 2.387 20 0 GEADRO CC[NH+](CC)CC1CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000821189397 599564501 /nfs/dbraw/zinc/56/45/01/599564501.db2.gz LKLDQUWTUGXJII-UHFFFAOYSA-N 1 0 396.499 2.471 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000820111579 599571531 /nfs/dbraw/zinc/57/15/31/599571531.db2.gz AKISGKWDJPYNNK-UHFFFAOYSA-N 1 0 396.499 2.469 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000820112456 599571539 /nfs/dbraw/zinc/57/15/39/599571539.db2.gz UPWXWSKDUZGYFL-UHFFFAOYSA-N 1 0 396.499 2.469 20 0 GEADRO c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000738425038 599587974 /nfs/dbraw/zinc/58/79/74/599587974.db2.gz JVYQPODBSIEEPT-HNNXBMFYSA-N 1 0 390.451 2.168 20 0 GEADRO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335127 599590111 /nfs/dbraw/zinc/59/01/11/599590111.db2.gz QHCDPJXKQSXVPD-LPHOPBHVSA-N 1 0 381.480 2.478 20 0 GEADRO CC[N@H+](CCc1ccccn1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821213478 599636616 /nfs/dbraw/zinc/63/66/16/599636616.db2.gz DCVLVRKHYSAHCL-UHFFFAOYSA-N 1 0 376.424 2.376 20 0 GEADRO O=C(CCN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964614 599637872 /nfs/dbraw/zinc/63/78/72/599637872.db2.gz LTYZXKPVLQVWNI-GOSISDBHSA-N 1 0 383.500 2.146 20 0 GEADRO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000820683445 599646048 /nfs/dbraw/zinc/64/60/48/599646048.db2.gz BFBOAGMNZKRVBR-ZIAGYGMSSA-N 1 0 380.456 2.111 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)([NH+](C)C)C1 ZINC000820698197 599671867 /nfs/dbraw/zinc/67/18/67/599671867.db2.gz QYMQOHNBBGWJHU-BFUOFWGJSA-N 1 0 389.479 2.316 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000821599182 599674799 /nfs/dbraw/zinc/67/47/99/599674799.db2.gz IUJGJBVPFARFBJ-OAHLLOKOSA-N 1 0 375.452 2.022 20 0 GEADRO 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/nfs/dbraw/zinc/34/37/78/606343778.db2.gz LRCZUCIZDCCUCB-HUUCEWRRSA-N 1 0 385.472 2.356 20 0 GEADRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000822230798 606406590 /nfs/dbraw/zinc/40/65/90/606406590.db2.gz QQEUWIMSZATCIC-QGZVFWFLSA-N 1 0 384.509 2.400 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cc(Cl)c2c(c1)OCCO2 ZINC000823689544 606422247 /nfs/dbraw/zinc/42/22/47/606422247.db2.gz HOSFDGASLVIQEB-GFCCVEGCSA-N 1 0 393.856 2.176 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000820543165 606434428 /nfs/dbraw/zinc/43/44/28/606434428.db2.gz VNBLMMMLTDTRCP-GFCCVEGCSA-N 1 0 384.415 2.473 20 0 GEADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000822718255 606440741 /nfs/dbraw/zinc/44/07/41/606440741.db2.gz FFRQUBNDAADCGJ-CYBMUJFWSA-N 1 0 382.390 2.187 20 0 GEADRO CC1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000820613187 606443219 /nfs/dbraw/zinc/44/32/19/606443219.db2.gz VVXQWDKNYWAQMX-UHFFFAOYSA-N 1 0 383.500 2.274 20 0 GEADRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820995823 606453873 /nfs/dbraw/zinc/45/38/73/606453873.db2.gz YTEXINHRLHFJAS-MSOLQXFVSA-N 1 0 386.500 2.357 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850718 606472754 /nfs/dbraw/zinc/47/27/54/606472754.db2.gz OHYULRTVNCZZBU-DDTOSNHZSA-N 1 0 382.390 2.351 20 0 GEADRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821659289 606483687 /nfs/dbraw/zinc/48/36/87/606483687.db2.gz YFIDXLSPTDJBMN-ZDUSSCGKSA-N 1 0 381.383 2.386 20 0 GEADRO CCOCC[N@@H+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821377892 606488689 /nfs/dbraw/zinc/48/86/89/606488689.db2.gz HXENEYDRDVACEL-ZDUSSCGKSA-N 1 0 396.442 2.011 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821586037 606511545 /nfs/dbraw/zinc/51/15/45/606511545.db2.gz GNOPALDFXCUAJM-UHFFFAOYSA-N 1 0 392.435 2.410 20 0 GEADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000822732898 606518599 /nfs/dbraw/zinc/51/85/99/606518599.db2.gz NXVNHRTXFJUVRJ-OAHLLOKOSA-N 1 0 395.410 2.238 20 0 GEADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000822850384 606521950 /nfs/dbraw/zinc/52/19/50/606521950.db2.gz GABWOGURKVJORV-GOSISDBHSA-N 1 0 380.427 2.412 20 0 GEADRO O=C(CC[N@@H+]1CCOC[C@H]1Cc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969591 606523624 /nfs/dbraw/zinc/52/36/24/606523624.db2.gz SAOOFNWJYMJJFH-LJQANCHMSA-N 1 0 392.463 2.139 20 0 GEADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821584458 606541199 /nfs/dbraw/zinc/54/11/99/606541199.db2.gz FHGHSRJMFOGTTH-UHFFFAOYSA-N 1 0 386.481 2.189 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000821587305 606552761 /nfs/dbraw/zinc/55/27/61/606552761.db2.gz QETANAMLRUBVMT-UHFFFAOYSA-N 1 0 384.509 2.451 20 0 GEADRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2O)CC1 ZINC000822399933 606585088 /nfs/dbraw/zinc/58/50/88/606585088.db2.gz PPFIRPNKUJHYMO-UHFFFAOYSA-N 1 0 379.424 2.131 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000820031346 606585220 /nfs/dbraw/zinc/58/52/20/606585220.db2.gz CWLPBDUFCKEPRP-RKVPGOIHSA-N 1 0 386.500 2.259 20 0 GEADRO CC[N@@H+](Cc1ccccn1)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000821230340 606590263 /nfs/dbraw/zinc/59/02/63/606590263.db2.gz HMXGUANEFOWECK-UHFFFAOYSA-N 1 0 375.440 2.308 20 0 GEADRO CC(C)C1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820032678 606616350 /nfs/dbraw/zinc/61/63/50/606616350.db2.gz PMNKYQHGGNIVOV-UHFFFAOYSA-N 1 0 385.516 2.376 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[N@H+](CCO)Cc2ccccc2)c1-c1nn[nH]n1 ZINC000822486970 606637683 /nfs/dbraw/zinc/63/76/83/606637683.db2.gz VECVULIHQMZOQI-UHFFFAOYSA-N 1 0 389.463 2.355 20 0 GEADRO c1nnc([C@H]2CCC[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)n1C1CC1 ZINC000823761992 606656315 /nfs/dbraw/zinc/65/63/15/606656315.db2.gz DDKNGQLUWLZUOS-HNNXBMFYSA-N 1 0 380.456 2.052 20 0 GEADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000821242804 606691910 /nfs/dbraw/zinc/69/19/10/606691910.db2.gz WBKFGILPUWACDB-XJKSGUPXSA-N 1 0 396.451 2.109 20 0 GEADRO CC[N@H+]1C[C@H](NC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000821240445 606692533 /nfs/dbraw/zinc/69/25/33/606692533.db2.gz GOHWBIFHENFFDF-GUYCJALGSA-N 1 0 396.451 2.109 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000821240600 606692758 /nfs/dbraw/zinc/69/27/58/606692758.db2.gz HSJSFIGOVVKYNO-DYVFJYSZSA-N 1 0 393.451 2.124 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000821763056 606696843 /nfs/dbraw/zinc/69/68/43/606696843.db2.gz UKTHCELVWDPLCP-UHFFFAOYSA-N 1 0 385.428 2.064 20 0 GEADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c(C)n1 ZINC000822248990 606697929 /nfs/dbraw/zinc/69/79/29/606697929.db2.gz XBQXTEJGWXHEBW-UHFFFAOYSA-N 1 0 394.483 2.474 20 0 GEADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820758758 606724292 /nfs/dbraw/zinc/72/42/92/606724292.db2.gz COPUSKDCWBEYEV-HUUCEWRRSA-N 1 0 393.495 2.092 20 0 GEADRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000822983688 606775018 /nfs/dbraw/zinc/77/50/18/606775018.db2.gz SGWJPWPUPSTIED-MRXNPFEDSA-N 1 0 382.493 2.252 20 0 GEADRO CCOc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821437160 606843177 /nfs/dbraw/zinc/84/31/77/606843177.db2.gz KITSPNHYNADNCP-LJQANCHMSA-N 1 0 394.479 2.121 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681228 606846514 /nfs/dbraw/zinc/84/65/14/606846514.db2.gz BYAHACVGTSKGGW-IRXDYDNUSA-N 1 0 384.509 2.388 20 0 GEADRO Cc1ccccc1C[NH+]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822361914 606849560 /nfs/dbraw/zinc/84/95/60/606849560.db2.gz KJPAUXPUHNXJAN-FQEVSTJZSA-N 1 0 378.480 2.026 20 0 GEADRO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222444 606850926 /nfs/dbraw/zinc/85/09/26/606850926.db2.gz SEHVBMSACXQVAK-QGZVFWFLSA-N 1 0 383.452 2.439 20 0 GEADRO CC(C)(C[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000819984402 606851996 /nfs/dbraw/zinc/85/19/96/606851996.db2.gz VCLOBQWAVXSWMT-HXUWFJFHSA-N 1 0 392.507 2.327 20 0 GEADRO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000821133543 606852422 /nfs/dbraw/zinc/85/24/22/606852422.db2.gz ADOSKBUANAJNCB-KRWDZBQOSA-N 1 0 383.452 2.487 20 0 GEADRO O=C(CC1CCCC1)N1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822940805 606861574 /nfs/dbraw/zinc/86/15/74/606861574.db2.gz FIMANBHQLDGENV-IBGZPJMESA-N 1 0 398.511 2.015 20 0 GEADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820722847 606862079 /nfs/dbraw/zinc/86/20/79/606862079.db2.gz PWUZVMHSRZKHFJ-LAUBAEHRSA-N 1 0 392.507 2.497 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CN1Cc1ccccc1 ZINC000820665368 606869182 /nfs/dbraw/zinc/86/91/82/606869182.db2.gz FRAKATGDZIPUFW-CRAIPNDOSA-N 1 0 388.479 2.267 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000820151066 606877078 /nfs/dbraw/zinc/87/70/78/606877078.db2.gz BZOGBGAWAUOLEV-BLLLJJGKSA-N 1 0 385.472 2.258 20 0 GEADRO O[C@@H](C[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673771 606883885 /nfs/dbraw/zinc/88/38/85/606883885.db2.gz NSMSGFYRINLYJF-VQTJNVASSA-N 1 0 379.464 2.346 20 0 GEADRO NC(=O)c1ccc(C[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000822885179 606884340 /nfs/dbraw/zinc/88/43/40/606884340.db2.gz JTZZDUNYZHLISB-UHFFFAOYSA-N 1 0 392.463 2.399 20 0 GEADRO COCC[N@H+](CCCc1ccccc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821689607 606890188 /nfs/dbraw/zinc/89/01/88/606890188.db2.gz FNKKSGIUXYLSCW-FQEVSTJZSA-N 1 0 381.480 2.481 20 0 GEADRO CCn1cnnc1[C@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821566392 606891456 /nfs/dbraw/zinc/89/14/56/606891456.db2.gz BPJCPPSGHMKZBC-INIZCTEOSA-N 1 0 382.472 2.127 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820656521 606903954 /nfs/dbraw/zinc/90/39/54/606903954.db2.gz FXVPLQTYVBPLPE-NVXWUHKLSA-N 1 0 392.463 2.025 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)COc2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820656519 606904256 /nfs/dbraw/zinc/90/42/56/606904256.db2.gz FXVPLQTYVBPLPE-DOTOQJQBSA-N 1 0 392.463 2.025 20 0 GEADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820562037 606906146 /nfs/dbraw/zinc/90/61/46/606906146.db2.gz DEGXOZYAVOFLDH-GOXOYUAHSA-N 1 0 385.493 2.331 20 0 GEADRO CCc1nnc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c(-c2nn[nH]n2)c1CC ZINC000821536132 606909904 /nfs/dbraw/zinc/90/99/04/606909904.db2.gz RYRLCWZLFIHYBY-OAHLLOKOSA-N 1 0 380.500 2.366 20 0 GEADRO O[C@H](C[NH+]1CCC2(CC1)OCc1ccccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682503 606914551 /nfs/dbraw/zinc/91/45/51/606914551.db2.gz QUFNMXPNLSBUSG-LJQANCHMSA-N 1 0 377.448 2.422 20 0 GEADRO 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IMPUBQPCQUCHKA-CRAIPNDOSA-N 1 0 378.440 2.055 20 0 GEADRO C[C@@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824594236 609325089 /nfs/dbraw/zinc/32/50/89/609325089.db2.gz YVJSTQALJFBZRC-MRXNPFEDSA-N 1 0 395.486 2.479 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824571698 609332791 /nfs/dbraw/zinc/33/27/91/609332791.db2.gz RCWINDLOUBWFNB-PWSUYJOCSA-N 1 0 393.369 2.375 20 0 GEADRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826181300 609336440 /nfs/dbraw/zinc/33/64/40/609336440.db2.gz TXSIGTRVULMYIH-ADLMAVQZSA-N 1 0 387.415 2.407 20 0 GEADRO Cn1cc(C[NH2+]C[C@](C)(O)c2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361108 609340018 /nfs/dbraw/zinc/34/00/18/609340018.db2.gz LOKCPOVKZUCYIR-NRFANRHFSA-N 1 0 389.463 2.265 20 0 GEADRO Cn1cc(C[NH2+]C[C@](C)(O)c2cccs2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360957 609340243 /nfs/dbraw/zinc/34/02/43/609340243.db2.gz DVAXEIWXWKRHRH-IBGZPJMESA-N 1 0 395.492 2.326 20 0 GEADRO Cn1cc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361403 609341908 /nfs/dbraw/zinc/34/19/08/609341908.db2.gz VWFKPUGZPDYJFQ-YLJYHZDGSA-N 1 0 381.484 2.298 20 0 GEADRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824393529 609342539 /nfs/dbraw/zinc/34/25/39/609342539.db2.gz SLCHEOJEKBYAAE-SUMWQHHRSA-N 1 0 393.451 2.462 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1-c1nn[nH]n1 ZINC000826332232 609379603 /nfs/dbraw/zinc/37/96/03/609379603.db2.gz NSUJXVFOQCZZRG-MAUKXSAKSA-N 1 0 381.484 2.344 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000824288576 609405548 /nfs/dbraw/zinc/40/55/48/609405548.db2.gz JRZBIHFTJBXBDC-UHFFFAOYSA-N 1 0 383.403 2.272 20 0 GEADRO OC[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000826507672 609429592 /nfs/dbraw/zinc/42/95/92/609429592.db2.gz UCRAOKMERNQUKD-HZPDHXFCSA-N 1 0 393.369 2.242 20 0 GEADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826453725 609451619 /nfs/dbraw/zinc/45/16/19/609451619.db2.gz XCAAPFLMBHZCOI-UHFFFAOYSA-N 1 0 383.481 2.038 20 0 GEADRO C[C@@H](NC(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824479921 609456213 /nfs/dbraw/zinc/45/62/13/609456213.db2.gz RRCZDCWDXHEEOU-OXQOHEQNSA-N 1 0 390.491 2.436 20 0 GEADRO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000826429354 609495968 /nfs/dbraw/zinc/49/59/68/609495968.db2.gz AQYMVLMDUJSQEI-RYQLBKOJSA-N 1 0 391.479 2.225 20 0 GEADRO Cc1c(Cl)cnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1-c1nn[nH]n1 ZINC000826239568 609531009 /nfs/dbraw/zinc/53/10/09/609531009.db2.gz KSNMGCJGBYSFKX-OAHLLOKOSA-N 1 0 399.886 2.055 20 0 GEADRO CC[NH+]1CCN(Cc2ccc(CNc3nccc(C)c3-c3nn[nH]n3)cc2)CC1 ZINC000825458998 609533455 /nfs/dbraw/zinc/53/34/55/609533455.db2.gz GWIFTYJAXHRLFY-UHFFFAOYSA-N 1 0 392.511 2.320 20 0 GEADRO Cc1c(Cl)cnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826237810 609548898 /nfs/dbraw/zinc/54/88/98/609548898.db2.gz MCMPUXQUNBQOSU-INIZCTEOSA-N 1 0 399.886 2.079 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C[C@H]1C ZINC000825452137 609549490 /nfs/dbraw/zinc/54/94/90/609549490.db2.gz NXULQAPKUACCEX-DGCLKSJQSA-N 1 0 398.920 2.013 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477131 609600991 /nfs/dbraw/zinc/60/09/91/609600991.db2.gz WJIWJKJMVFOERH-KRWDZBQOSA-N 1 0 388.435 2.028 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1Br ZINC000446546857 649983362 /nfs/dbraw/zinc/98/33/62/649983362.db2.gz KJKBSHVGDHORGY-TXEJJXNPSA-N 1 0 397.317 2.470 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)C[C@@H]21 ZINC000447253560 650004144 /nfs/dbraw/zinc/00/41/44/650004144.db2.gz ZHOOBXHWJLGLEM-SUZMYJTESA-N 1 0 377.279 2.336 20 0 GEADRO C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc(I)cc32)CC[NH2+]1 ZINC000447516810 650007183 /nfs/dbraw/zinc/00/71/83/650007183.db2.gz ICWDLQBQDBDFJW-WCBMZHEXSA-N 1 0 384.221 2.038 20 0 GEADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1ccc(Br)cc1Cl ZINC000447916621 650010720 /nfs/dbraw/zinc/01/07/20/650010720.db2.gz PIOLIACPYCJKJK-OLZOCXBDSA-N 1 0 377.666 2.171 20 0 GEADRO COCCO[C@H]1C[C@H](CO)C[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000447389883 650006251 /nfs/dbraw/zinc/00/62/51/650006251.db2.gz BMSSBNYTESEQET-YOEHRIQHSA-N 1 0 388.302 2.174 20 0 GEADRO COCC[C@]1([NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)CCOC1 ZINC000447398631 650006357 /nfs/dbraw/zinc/00/63/57/650006357.db2.gz SZVZAQXRQZMSOL-HNNXBMFYSA-N 1 0 393.228 2.451 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447445857 650006881 /nfs/dbraw/zinc/00/68/81/650006881.db2.gz GDVWYXOXMOPZTF-SJORKVTESA-N 1 0 398.345 2.408 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447445856 650006909 /nfs/dbraw/zinc/00/69/09/650006909.db2.gz GDVWYXOXMOPZTF-IRXDYDNUSA-N 1 0 398.345 2.408 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000448319139 650015073 /nfs/dbraw/zinc/01/50/73/650015073.db2.gz DLBYXHDFNYCBIO-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(Br)cccc3cn2)C1 ZINC000448932940 650025957 /nfs/dbraw/zinc/02/59/57/650025957.db2.gz MYIPWRXTUFZGBP-ZDUSSCGKSA-N 1 0 378.270 2.448 20 0 GEADRO C[C@@H](CNC(=O)c1cc2c(Br)cccc2cn1)N1CC[NH+](C)CC1 ZINC000448980533 650028100 /nfs/dbraw/zinc/02/81/00/650028100.db2.gz PYDFEBQOFRAQRH-ZDUSSCGKSA-N 1 0 391.313 2.363 20 0 GEADRO CC[N@H+](CCNC(=O)c1cccnc1-n1cc(Br)cn1)C(C)C ZINC000448980163 650028176 /nfs/dbraw/zinc/02/81/76/650028176.db2.gz NYRFSHGNLKDXAG-UHFFFAOYSA-N 1 0 380.290 2.490 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2cccc(Br)c2F)CC1 ZINC000449024262 650030014 /nfs/dbraw/zinc/03/00/14/650030014.db2.gz ZTYHIYSHVFPTJC-UHFFFAOYSA-N 1 0 384.293 2.328 20 0 GEADRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449031346 650030569 /nfs/dbraw/zinc/03/05/69/650030569.db2.gz WLTKYFGYMGALAH-INIZCTEOSA-N 1 0 379.551 2.429 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccc(Br)c2F)CC1 ZINC000449036953 650030891 /nfs/dbraw/zinc/03/08/91/650030891.db2.gz LVEATMMDLLJXCK-OAHLLOKOSA-N 1 0 384.293 2.327 20 0 GEADRO NC(=O)C1(C[NH2+]Cc2ccnc3c(Br)cccc23)CCOCC1 ZINC000449078902 650031217 /nfs/dbraw/zinc/03/12/17/650031217.db2.gz WSATZWQUOUAGRH-UHFFFAOYSA-N 1 0 378.270 2.369 20 0 GEADRO C[C@H](C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(F)cc(F)c1 ZINC000449328708 650038462 /nfs/dbraw/zinc/03/84/62/650038462.db2.gz KSGZSZUGWFJLJX-CXAGYDPISA-N 1 0 375.485 2.319 20 0 GEADRO O=S1(=O)CCCN1CC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449135521 650032856 /nfs/dbraw/zinc/03/28/56/650032856.db2.gz PZCALEPCOPTAOH-UHFFFAOYSA-N 1 0 384.299 2.122 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449216992 650034669 /nfs/dbraw/zinc/03/46/69/650034669.db2.gz WJUBUVUZNBTDFW-MRXNPFEDSA-N 1 0 379.551 2.299 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449220191 650034765 /nfs/dbraw/zinc/03/47/65/650034765.db2.gz GHIHSKBKUGCHEO-FZMZJTMJSA-N 1 0 379.295 2.396 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[NH+]2CCC1CC2 ZINC000449325086 650038407 /nfs/dbraw/zinc/03/84/07/650038407.db2.gz JTCIYQCULFUYKN-ZDUSSCGKSA-N 1 0 396.329 2.242 20 0 GEADRO COCCOc1cccc(C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000449379610 650039383 /nfs/dbraw/zinc/03/93/83/650039383.db2.gz UFWKESJTEOAFMJ-UHFFFAOYSA-N 1 0 381.270 2.426 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000449443283 650041007 /nfs/dbraw/zinc/04/10/07/650041007.db2.gz RBYPTTRUKWGVGX-HUUCEWRRSA-N 1 0 375.332 2.224 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000449444303 650041255 /nfs/dbraw/zinc/04/12/55/650041255.db2.gz ZTDUHQBYIUYARU-QWHCGFSZSA-N 1 0 375.332 2.224 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000449443987 650041302 /nfs/dbraw/zinc/04/13/02/650041302.db2.gz XNVVVSSGJTZBNA-GXFFZTMASA-N 1 0 381.311 2.437 20 0 GEADRO CC(=O)N1CCC([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000449601743 650043452 /nfs/dbraw/zinc/04/34/52/650043452.db2.gz RTXXXBLJMXGMOL-CYBMUJFWSA-N 1 0 387.293 2.340 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449600779 650043630 /nfs/dbraw/zinc/04/36/30/650043630.db2.gz PMOWGGZLWHOVJO-RYUDHWBXSA-N 1 0 396.322 2.152 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cnc(C)nc2)cc1Br ZINC000449603217 650043918 /nfs/dbraw/zinc/04/39/18/650043918.db2.gz VLLQEQAFFYFVBH-CQSZACIVSA-N 1 0 380.286 2.497 20 0 GEADRO O=C1CC[C@@H]([NH+]2CCN(Cc3ccc(Br)cc3F)CC2)CCN1 ZINC000449692589 650046158 /nfs/dbraw/zinc/04/61/58/650046158.db2.gz BNASUVPTJZYPDZ-OAHLLOKOSA-N 1 0 384.293 2.375 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000449702051 650046475 /nfs/dbraw/zinc/04/64/75/650046475.db2.gz YAXBOELSADMHNH-IUODEOHRSA-N 1 0 394.313 2.306 20 0 GEADRO [NH3+]CC[C@H](NC(=O)Cc1cccc(I)c1)C(F)(F)F ZINC000449713872 650047145 /nfs/dbraw/zinc/04/71/45/650047145.db2.gz AXTOOMZVZAOMPN-JTQLQIEISA-N 1 0 386.155 2.230 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449711727 650047211 /nfs/dbraw/zinc/04/72/11/650047211.db2.gz PCSWWFGPAIUKDV-XEZPLFJOSA-N 1 0 383.945 2.435 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)C(F)(F)F ZINC000449720177 650047761 /nfs/dbraw/zinc/04/77/61/650047761.db2.gz MODMFTQGGLUBGW-SNVBAGLBSA-N 1 0 383.164 2.230 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449728103 650047977 /nfs/dbraw/zinc/04/79/77/650047977.db2.gz SZWSWKJZPWLCLC-CHWSQXEVSA-N 1 0 379.810 2.490 20 0 GEADRO Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000449726489 650047981 /nfs/dbraw/zinc/04/79/81/650047981.db2.gz XMNIDCMKKJNMOG-DGCLKSJQSA-N 1 0 377.432 2.451 20 0 GEADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449739454 650048264 /nfs/dbraw/zinc/04/82/64/650048264.db2.gz ANPRSRXDCRNAAE-INMHGKMJSA-N 1 0 381.314 2.465 20 0 GEADRO CN1C(=O)C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1c1cccc(Cl)c1 ZINC000449729582 650048297 /nfs/dbraw/zinc/04/82/97/650048297.db2.gz NOADMODRMCXBKJ-OBJOEFQTSA-N 1 0 377.794 2.255 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[NH2+]C1(C)C)c1ccc(Br)cc1 ZINC000449750735 650048992 /nfs/dbraw/zinc/04/89/92/650048992.db2.gz WBOYCJPENZZXCO-HUUCEWRRSA-N 1 0 382.302 2.273 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000449758558 650049189 /nfs/dbraw/zinc/04/91/89/650049189.db2.gz VVTQIRMJUXRURV-VNQPRFMTSA-N 1 0 378.460 2.430 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[N@@H+](CCO)C[C@H]1C ZINC000449786391 650050123 /nfs/dbraw/zinc/05/01/23/650050123.db2.gz NMPRPFGIBVNBKA-CQSZACIVSA-N 1 0 393.329 2.442 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1ccc(I)cc1F ZINC000449946165 650056597 /nfs/dbraw/zinc/05/65/97/650056597.db2.gz VAWPYSROSKUJFS-UHFFFAOYSA-N 1 0 394.228 2.128 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000449973372 650057534 /nfs/dbraw/zinc/05/75/34/650057534.db2.gz QWNZJOBWYUFPQY-UHFFFAOYSA-N 1 0 380.290 2.444 20 0 GEADRO CC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000450531887 650066912 /nfs/dbraw/zinc/06/69/12/650066912.db2.gz LOZGFJOBIAHNMX-QGZVFWFLSA-N 1 0 383.286 2.440 20 0 GEADRO Cc1ccc(Br)cc1C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000450973896 650077325 /nfs/dbraw/zinc/07/73/25/650077325.db2.gz ZKMHUSMCFXNJBF-CVEARBPZSA-N 1 0 377.286 2.192 20 0 GEADRO C[NH+](C)C1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451046981 650081981 /nfs/dbraw/zinc/08/19/81/650081981.db2.gz VTYFOVCSDNZRAR-UHFFFAOYSA-N 1 0 379.295 2.444 20 0 GEADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)S(=O)(=O)c1cc(C)cs1 ZINC000451109665 650087629 /nfs/dbraw/zinc/08/76/29/650087629.db2.gz BRFGIGLEFOCSQC-HNNXBMFYSA-N 1 0 388.555 2.485 20 0 GEADRO CCOC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000451132077 650089308 /nfs/dbraw/zinc/08/93/08/650089308.db2.gz VESGGIMGDCIFRQ-AWEZNQCLSA-N 1 0 378.485 2.331 20 0 GEADRO O=C(C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1)NC1CC1 ZINC000451196481 650095806 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0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000451341193 650105148 /nfs/dbraw/zinc/10/51/48/650105148.db2.gz LRPOEFIZOGNMSB-JJXSEGSLSA-N 1 0 380.501 2.325 20 0 GEADRO Cc1csc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000451341773 650105251 /nfs/dbraw/zinc/10/52/51/650105251.db2.gz LTLJHLCIDURDET-DLBZAZTESA-N 1 0 380.535 2.218 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000451387113 650109902 /nfs/dbraw/zinc/10/99/02/650109902.db2.gz YODPUACBZIXVMV-IAQYHMDHSA-N 1 0 378.416 2.429 20 0 GEADRO C[C@H]1[C@@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)CCC[N@@H+]1C ZINC000451393094 650110420 /nfs/dbraw/zinc/11/04/20/650110420.db2.gz LBJQOZORXNGNER-HZMBPMFUSA-N 1 0 379.295 2.490 20 0 GEADRO C[C@@H]1[C@@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)CCC[N@@H+]1C ZINC000451393097 650110780 /nfs/dbraw/zinc/11/07/80/650110780.db2.gz LBJQOZORXNGNER-YGRLFVJLSA-N 1 0 379.295 2.490 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)CCOCc2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000451413793 650111883 /nfs/dbraw/zinc/11/18/83/650111883.db2.gz ZDBDQSDAZXNRRE-QZTJIDSGSA-N 1 0 384.567 2.045 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(Br)c(F)c2)CCC1 ZINC000451437282 650114088 /nfs/dbraw/zinc/11/40/88/650114088.db2.gz OECULINXPPXUPL-UHFFFAOYSA-N 1 0 379.295 2.492 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)CC2CC(F)(F)C2)c1 ZINC000451460585 650116976 /nfs/dbraw/zinc/11/69/76/650116976.db2.gz PIBPGCRDAVNHTK-UHFFFAOYSA-N 1 0 376.469 2.434 20 0 GEADRO COC(=O)Cn1cc(CC[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)nn1 ZINC000451563646 650125430 /nfs/dbraw/zinc/12/54/30/650125430.db2.gz FCEWLOHPHBKECU-CQSZACIVSA-N 1 0 393.285 2.246 20 0 GEADRO C[C@@H]1CN(CC(=O)Nc2nc(-c3cccs3)cs2)C[C@H](C)[N@H+]1CCO ZINC000451652630 650129120 /nfs/dbraw/zinc/12/91/20/650129120.db2.gz KMWHVOCKOBKMIB-BETUJISGSA-N 1 0 380.539 2.197 20 0 GEADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000451661019 650130064 /nfs/dbraw/zinc/13/00/64/650130064.db2.gz FRCXOIRICSSQGN-GUTXKFCHSA-N 1 0 377.312 2.120 20 0 GEADRO C[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H](C)[N@H+]1CCO ZINC000451662813 650130430 /nfs/dbraw/zinc/13/04/30/650130430.db2.gz JNBQPTJHZGFAPJ-MJBXVCDLSA-N 1 0 377.312 2.120 20 0 GEADRO C[C@@H]1CN(Cc2nc3ccc(Br)cc3n2C)C[C@H](C)[N@H+]1CCO ZINC000451666900 650131167 /nfs/dbraw/zinc/13/11/67/650131167.db2.gz SMGCOBQDZSRNIE-BETUJISGSA-N 1 0 381.318 2.223 20 0 GEADRO Cc1cc(N2CCC[C@@H]([N@@H+]3C[C@@H](C)[C@H](C(N)=O)C3)C2=O)ccc1Br ZINC000451704386 650134569 /nfs/dbraw/zinc/13/45/69/650134569.db2.gz XCHVBTKMPLSPNT-XNRPHZJLSA-N 1 0 394.313 2.306 20 0 GEADRO O[C@H]([C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1)C(F)(F)F ZINC000451878107 650149346 /nfs/dbraw/zinc/14/93/46/650149346.db2.gz GECRPCQFKICQDL-SCDSUCTJSA-N 1 0 398.219 2.434 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000451915191 650153182 /nfs/dbraw/zinc/15/31/82/650153182.db2.gz SUNCZQOGQAGXBF-XHSVMWQWSA-N 1 0 391.339 2.261 20 0 GEADRO COC[C@]1(CO)CC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000451935456 650155287 /nfs/dbraw/zinc/15/52/87/650155287.db2.gz WAUYDJIWSRMVLI-QGZVFWFLSA-N 1 0 375.296 2.283 20 0 GEADRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000452024511 650167461 /nfs/dbraw/zinc/16/74/61/650167461.db2.gz ZLHKMQOMTNDWSC-HUUCEWRRSA-N 1 0 398.301 2.051 20 0 GEADRO CN(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000451990317 650162315 /nfs/dbraw/zinc/16/23/15/650162315.db2.gz JPYMQQXPTNEEDM-KGLIPLIRSA-N 1 0 390.311 2.469 20 0 GEADRO CC[N@H+](C)[C@H](C(=O)NCCn1cc(Br)ccc1=O)c1ccccc1 ZINC000452300269 650178648 /nfs/dbraw/zinc/17/86/48/650178648.db2.gz SYDAXAQSYFAAFI-KRWDZBQOSA-N 1 0 392.297 2.420 20 0 GEADRO O=C(CCc1cccc(F)c1Br)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452378252 650183012 /nfs/dbraw/zinc/18/30/12/650183012.db2.gz OGWKPYDLZCJAHK-AWEZNQCLSA-N 1 0 387.293 2.484 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452391008 650183655 /nfs/dbraw/zinc/18/36/55/650183655.db2.gz PFONYGMZJXKCKO-DZGCQCFKSA-N 1 0 385.302 2.179 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000452856006 650199811 /nfs/dbraw/zinc/19/98/11/650199811.db2.gz YFDVGHWXUOGJNL-INIZCTEOSA-N 1 0 380.330 2.403 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@@H]21 ZINC000452976612 650201993 /nfs/dbraw/zinc/20/19/93/650201993.db2.gz PCRXGIJQKYEJMU-WBMJQRKESA-N 1 0 375.270 2.411 20 0 GEADRO C[C@H]([NH2+]CCNc1cnccn1)c1ccc(F)c(I)c1 ZINC000453126928 650205932 /nfs/dbraw/zinc/20/59/32/650205932.db2.gz BNNCWFQHEFCGCO-JTQLQIEISA-N 1 0 386.212 2.983 20 0 GEADRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000453184405 650206690 /nfs/dbraw/zinc/20/66/90/650206690.db2.gz ZSYLWIBYFSUPQV-CZUORRHYSA-N 1 0 382.917 2.034 20 0 GEADRO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)c(I)c1 ZINC000453193409 650206782 /nfs/dbraw/zinc/20/67/82/650206782.db2.gz HTVSYFVCEFWCAU-HZMBPMFUSA-N 1 0 378.229 2.148 20 0 GEADRO COC[C@](C)(O)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453267424 650207290 /nfs/dbraw/zinc/20/72/90/650207290.db2.gz YNTINESOAINOAE-UKRRQHHQSA-N 1 0 392.315 2.045 20 0 GEADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H](O)CC ZINC000453360213 650208478 /nfs/dbraw/zinc/20/84/78/650208478.db2.gz KNJACCFBFUCPMY-BIMULSAOSA-N 1 0 379.320 2.297 20 0 GEADRO Cc1cc(Br)c(C[NH2+]CCNS(=O)(=O)c2cccnc2)s1 ZINC000453573500 650209304 /nfs/dbraw/zinc/20/93/04/650209304.db2.gz PSEURZOSIWEEAA-UHFFFAOYSA-N 1 0 390.328 2.282 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000453650372 650212427 /nfs/dbraw/zinc/21/24/27/650212427.db2.gz ZNUSCVDXFAHPLU-CYBMUJFWSA-N 1 0 395.301 2.224 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C[C@H]1[NH+](C)C ZINC000453684573 650215468 /nfs/dbraw/zinc/21/54/68/650215468.db2.gz ZGMSTZDYQLOUJS-TVQRCGJNSA-N 1 0 388.693 2.450 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453701492 650217362 /nfs/dbraw/zinc/21/73/62/650217362.db2.gz CNWAHDSQJPCQDP-KBPBESRZSA-N 1 0 395.301 2.176 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000453707529 650218195 /nfs/dbraw/zinc/21/81/95/650218195.db2.gz LBFLFHVIHLGTJO-CQSZACIVSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000453713905 650218909 /nfs/dbraw/zinc/21/89/09/650218909.db2.gz AXZLIOULHMNISR-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453748510 650222271 /nfs/dbraw/zinc/22/22/71/650222271.db2.gz KNWJQUYPPYVSSO-LLVKDONJSA-N 1 0 385.306 2.328 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1Cl ZINC000453810894 650228435 /nfs/dbraw/zinc/22/84/35/650228435.db2.gz YKOPLFHEMMMKBQ-LBPRGKRZSA-N 1 0 388.295 2.203 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000453772828 650225265 /nfs/dbraw/zinc/22/52/65/650225265.db2.gz YUPQWGKYMAVZGA-NSHDSACASA-N 1 0 395.301 2.034 20 0 GEADRO CC[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C(F)F ZINC000453800142 650227625 /nfs/dbraw/zinc/22/76/25/650227625.db2.gz ZSYIWIIKHLBPCI-GFCCVEGCSA-N 1 0 377.819 2.379 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3Cl)C[C@@H]21 ZINC000453919870 650236114 /nfs/dbraw/zinc/23/61/14/650236114.db2.gz QCQRMIYFCYZAFE-SKDRFNHKSA-N 1 0 386.677 2.204 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)ccc1Br ZINC000454074370 650250743 /nfs/dbraw/zinc/25/07/43/650250743.db2.gz WZQXTWVZYTWVOO-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)NCCn2cc(Br)ccc2=O)c1 ZINC000454271484 650261001 /nfs/dbraw/zinc/26/10/01/650261001.db2.gz NZQTWYXOHGGQDK-UHFFFAOYSA-N 1 0 393.285 2.494 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NCC[N@H+](C)Cc2ccccc2)n1 ZINC000454368772 650264357 /nfs/dbraw/zinc/26/43/57/650264357.db2.gz GAEGNKHQQOLPNC-UHFFFAOYSA-N 1 0 380.290 2.114 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454477275 650267603 /nfs/dbraw/zinc/26/76/03/650267603.db2.gz CPICKZFEXWOJBK-QGZUEGPWSA-N 1 0 381.318 2.007 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000454477848 650267701 /nfs/dbraw/zinc/26/77/01/650267701.db2.gz DHOUGLQQAXLZSS-XHDPSFHLSA-N 1 0 399.308 2.121 20 0 GEADRO CC(C)[NH+](CCNC(=O)NCCn1cc(Br)ccc1=O)C(C)C ZINC000455168107 650293353 /nfs/dbraw/zinc/29/33/53/650293353.db2.gz ZBZRIZNNBBTLAT-UHFFFAOYSA-N 1 0 387.322 2.029 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2nn(C)cc2Br)C1 ZINC000455368718 650300775 /nfs/dbraw/zinc/30/07/75/650300775.db2.gz DFTPOUVSDRUKOW-CYBMUJFWSA-N 1 0 386.338 2.350 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000455368774 650300898 /nfs/dbraw/zinc/30/08/98/650300898.db2.gz DPMULCXZONJMIO-OAHLLOKOSA-N 1 0 380.290 2.285 20 0 GEADRO C[C@@H](CNC(=O)NCc1nc(-c2cccc(Br)c2)no1)[NH+](C)C ZINC000455439127 650304285 /nfs/dbraw/zinc/30/42/85/650304285.db2.gz ZDJKLHZQNVJOCI-JTQLQIEISA-N 1 0 382.262 2.248 20 0 GEADRO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H](c2nccs2)C(F)(F)F)CC1 ZINC000455655929 650311693 /nfs/dbraw/zinc/31/16/93/650311693.db2.gz LRXRXXWMOGSDPD-RYUDHWBXSA-N 1 0 380.436 2.139 20 0 GEADRO Cc1csc([C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)C(F)(F)F)n1 ZINC000455688325 650312756 /nfs/dbraw/zinc/31/27/56/650312756.db2.gz RVSIZKCCJTUSAD-GFCCVEGCSA-N 1 0 380.436 2.058 20 0 GEADRO Cc1csc([C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C(F)(F)F)n1 ZINC000455694544 650313231 /nfs/dbraw/zinc/31/32/31/650313231.db2.gz FDZOWJKXDXRWOT-NWDGAFQWSA-N 1 0 380.436 2.201 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000455712534 650314130 /nfs/dbraw/zinc/31/41/30/650314130.db2.gz URWKSHKIOCSABC-VXGBXAGGSA-N 1 0 382.452 2.447 20 0 GEADRO Cc1csc([C@H](NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)C(F)(F)F)n1 ZINC000455717399 650314156 /nfs/dbraw/zinc/31/41/56/650314156.db2.gz ZYIPDQAIAFRIGX-NEPJUHHUSA-N 1 0 380.436 2.153 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1nnc2ccc(Br)cn21 ZINC000455769036 650317776 /nfs/dbraw/zinc/31/77/76/650317776.db2.gz YNUZAISMBGEGGH-UHFFFAOYSA-N 1 0 397.321 3.078 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@@H](C)C[NH+](C)C ZINC000455733133 650314717 /nfs/dbraw/zinc/31/47/17/650314717.db2.gz IVHYJHIJALVIOI-VIFPVBQESA-N 1 0 377.226 2.371 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nnc3ccc(Br)cn32)C[C@@H]1C ZINC000455766605 650317528 /nfs/dbraw/zinc/31/75/28/650317528.db2.gz VRPOEEBVOKMQHS-WCQYABFASA-N 1 0 395.305 2.828 20 0 GEADRO C[C@@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000455855569 650321974 /nfs/dbraw/zinc/32/19/74/650321974.db2.gz ZJQNMSREDDRGKO-RYUDHWBXSA-N 1 0 395.305 2.734 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc3cc(Br)ccn3n2)C[C@@H]1C ZINC000455856719 650322025 /nfs/dbraw/zinc/32/20/25/650322025.db2.gz HHRXXZXZEWSEPD-AAEUAGOBSA-N 1 0 395.305 2.828 20 0 GEADRO COc1c(F)cc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(OC)c1F ZINC000455882302 650325207 /nfs/dbraw/zinc/32/52/07/650325207.db2.gz IZJAFXLEURJVRP-NWDGAFQWSA-N 1 0 375.441 2.491 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000456017872 650327589 /nfs/dbraw/zinc/32/75/89/650327589.db2.gz DPIJZRNAAOEQTP-RRQGHBQHSA-N 1 0 381.314 2.468 20 0 GEADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000456363240 650337969 /nfs/dbraw/zinc/33/79/69/650337969.db2.gz XBBAKHMMNJWTQO-OAHLLOKOSA-N 1 0 382.302 2.122 20 0 GEADRO Cn1cc(I)c(CNC(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC000456500733 650343264 /nfs/dbraw/zinc/34/32/64/650343264.db2.gz DKECPXQQSBCSFP-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO CC[C@@H](C)[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000456521610 650346969 /nfs/dbraw/zinc/34/69/69/650346969.db2.gz CHJCCZSKQWVYHZ-LLVKDONJSA-N 1 0 388.331 2.183 20 0 GEADRO CC[C@H](C)[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000456546068 650347620 /nfs/dbraw/zinc/34/76/20/650347620.db2.gz HZRDBXIASPVZTO-ZDUSSCGKSA-N 1 0 382.302 2.122 20 0 GEADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000456685236 650354564 /nfs/dbraw/zinc/35/45/64/650354564.db2.gz CZFNLPYJPCROMR-UHFFFAOYSA-N 1 0 387.571 2.368 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000456707687 650355891 /nfs/dbraw/zinc/35/58/91/650355891.db2.gz DBBTZVVPOUSSGT-DUVNUKRYSA-N 1 0 383.330 2.222 20 0 GEADRO Cc1ncc(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(Cl)c1Cl ZINC000456730926 650360651 /nfs/dbraw/zinc/36/06/51/650360651.db2.gz DVGXXCZFRQXJMV-GFCCVEGCSA-N 1 0 385.295 2.123 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000457209946 650373782 /nfs/dbraw/zinc/37/37/82/650373782.db2.gz PJTLBZOJODCFQW-LBPRGKRZSA-N 1 0 382.302 2.258 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000457051240 650372950 /nfs/dbraw/zinc/37/29/50/650372950.db2.gz HJZFOEDBGQTPKZ-UHFFFAOYSA-N 1 0 388.331 2.231 20 0 GEADRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(Br)co3)cn2)CC1 ZINC000457423166 650378287 /nfs/dbraw/zinc/37/82/87/650378287.db2.gz YDVDTESMSMOGBQ-UHFFFAOYSA-N 1 0 379.258 2.119 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC(C)(C)C[NH+](C)C ZINC000457467053 650379544 /nfs/dbraw/zinc/37/95/44/650379544.db2.gz UFBJLJPBMUAVIN-UHFFFAOYSA-N 1 0 385.306 2.335 20 0 GEADRO CCOC(=O)CSc1nnc(NC(=O)C2C[NH+](C3CCCCC3)C2)s1 ZINC000457494380 650379803 /nfs/dbraw/zinc/37/98/03/650379803.db2.gz RBUALKNASPZDIJ-UHFFFAOYSA-N 1 0 384.527 2.396 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c(Cl)c1OC ZINC000500513764 650380039 /nfs/dbraw/zinc/38/00/39/650380039.db2.gz OFKQDFYZWZYGGZ-AAEUAGOBSA-N 1 0 376.906 2.165 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)ccc1F ZINC000500596642 650381254 /nfs/dbraw/zinc/38/12/54/650381254.db2.gz XNSLPAJBANTOHV-OLZOCXBDSA-N 1 0 377.279 2.493 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000500851359 650383680 /nfs/dbraw/zinc/38/36/80/650383680.db2.gz GHNOXRTZLVMQSZ-KGLIPLIRSA-N 1 0 396.329 2.416 20 0 GEADRO O=C(NCc1cc(Br)ccc1F)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457776827 650384486 /nfs/dbraw/zinc/38/44/86/650384486.db2.gz QCRANBDWWQTQNS-AWEZNQCLSA-N 1 0 388.281 2.234 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000500936831 650385135 /nfs/dbraw/zinc/38/51/35/650385135.db2.gz CCJYNIAZWBOPGU-UHFFFAOYSA-N 1 0 376.469 2.274 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000457881526 650388210 /nfs/dbraw/zinc/38/82/10/650388210.db2.gz LCDGTBRWJXMADQ-CYBMUJFWSA-N 1 0 397.317 2.419 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000457895181 650388623 /nfs/dbraw/zinc/38/86/23/650388623.db2.gz ATASCZVLEFCQJC-UHFFFAOYSA-N 1 0 385.306 2.417 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000457913546 650389427 /nfs/dbraw/zinc/38/94/27/650389427.db2.gz OJAWYXLBXYLMMZ-CQSZACIVSA-N 1 0 394.317 2.155 20 0 GEADRO O=C(NCc1cc(F)ccc1Br)NC[C@H]1CCC[N@H+]1CCCO ZINC000457914170 650389510 /nfs/dbraw/zinc/38/95/10/650389510.db2.gz IRYYGLOUVPBZAF-CQSZACIVSA-N 1 0 388.281 2.234 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1cccc(Br)c1 ZINC000458372266 650401116 /nfs/dbraw/zinc/40/11/16/650401116.db2.gz QNFCSPCPWUGNOW-MRXNPFEDSA-N 1 0 384.318 2.402 20 0 GEADRO COc1cc(Br)c(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1OC ZINC000501949805 650399478 /nfs/dbraw/zinc/39/94/78/650399478.db2.gz RVJAIIUXDCFCBU-QWHCGFSZSA-N 1 0 387.318 2.353 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000501980062 650399859 /nfs/dbraw/zinc/39/98/59/650399859.db2.gz PRNNEWIAQPFEQD-OLZOCXBDSA-N 1 0 381.318 2.223 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000502081557 650400538 /nfs/dbraw/zinc/40/05/38/650400538.db2.gz SWYCJAOXPKDKPK-GFCCVEGCSA-N 1 0 388.295 2.359 20 0 GEADRO C[C@H](CCNC(=O)NCCn1cc(Br)ccc1=O)[NH+]1CCCCC1 ZINC000458654181 650406546 /nfs/dbraw/zinc/40/65/46/650406546.db2.gz OKIFJCIWBKYXBU-CQSZACIVSA-N 1 0 399.333 2.175 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(Br)cc2OC)CC1 ZINC000502450558 650406663 /nfs/dbraw/zinc/40/66/63/650406663.db2.gz PFKPZAQEPPVWFH-UHFFFAOYSA-N 1 0 395.294 2.359 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)[C@H]2C1 ZINC000502499015 650407242 /nfs/dbraw/zinc/40/72/42/650407242.db2.gz PQVWHLZWNDSDHJ-USXIJHARSA-N 1 0 395.297 2.074 20 0 GEADRO NC(=O)CCC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000502523957 650407880 /nfs/dbraw/zinc/40/78/80/650407880.db2.gz RZSMFOKTWKHCDE-HNNXBMFYSA-N 1 0 385.302 2.166 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cn1 ZINC000458734307 650410057 /nfs/dbraw/zinc/41/00/57/650410057.db2.gz JTWJNWBHDDVVCN-JSGCOSHPSA-N 1 0 385.306 2.051 20 0 GEADRO C[NH+](C)CCCC(C)(C)NC(=O)NCCn1cc(Br)ccc1=O ZINC000458914668 650413906 /nfs/dbraw/zinc/41/39/06/650413906.db2.gz HHQPQACQBYZDAB-UHFFFAOYSA-N 1 0 387.322 2.030 20 0 GEADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000503449148 650417580 /nfs/dbraw/zinc/41/75/80/650417580.db2.gz BNGZUKGMJIXNTB-IXDOHACOSA-N 1 0 388.599 2.209 20 0 GEADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)N(CC)CC(=O)NCc1cccs1 ZINC000503458991 650418046 /nfs/dbraw/zinc/41/80/46/650418046.db2.gz IJSMONROCVTVOZ-CVEARBPZSA-N 1 0 383.583 2.477 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cnc(C(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000503473399 650418262 /nfs/dbraw/zinc/41/82/62/650418262.db2.gz NWXWHMIRMGYZJH-CQSZACIVSA-N 1 0 387.571 2.238 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC[C@H](C)[NH+](C)C)cc1Br ZINC000459056497 650418395 /nfs/dbraw/zinc/41/83/95/650418395.db2.gz JVFCNSPSQLGMHE-DZGCQCFKSA-N 1 0 386.334 2.158 20 0 GEADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1SCC)[C@@H]1CCS(=O)(=O)C1 ZINC000503524169 650419303 /nfs/dbraw/zinc/41/93/03/650419303.db2.gz VTCRYKPDJLAFBI-ZJIFWQFVSA-N 1 0 376.588 2.064 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2cccc(Br)c2)C[C@H]1C ZINC000459147564 650419616 /nfs/dbraw/zinc/41/96/16/650419616.db2.gz JZNGNUMLMGLIIA-KGLIPLIRSA-N 1 0 384.318 2.088 20 0 GEADRO Cc1cc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1Br ZINC000459190679 650420747 /nfs/dbraw/zinc/42/07/47/650420747.db2.gz XIVBPHRUULPTIN-ZIAGYGMSSA-N 1 0 384.318 2.354 20 0 GEADRO O=C([C@H]1CCC[N@@H+](Cc2cccc(O)c2Br)C1)N1CCOCC1 ZINC000459303775 650422030 /nfs/dbraw/zinc/42/20/30/650422030.db2.gz FPFFBNNBGBMXJE-AWEZNQCLSA-N 1 0 383.286 2.226 20 0 GEADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000459489986 650425985 /nfs/dbraw/zinc/42/59/85/650425985.db2.gz RKVHPCWIYCYKHM-GXTWGEPZSA-N 1 0 380.286 2.254 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504075766 650427230 /nfs/dbraw/zinc/42/72/30/650427230.db2.gz FQUGONWIIFKJEZ-OWCLPIDISA-N 1 0 382.302 2.409 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@H](C)C1 ZINC000504129061 650427599 /nfs/dbraw/zinc/42/75/99/650427599.db2.gz ROQXTZAYRZISHY-LNCBFAARSA-N 1 0 396.329 2.402 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000504138967 650427678 /nfs/dbraw/zinc/42/76/78/650427678.db2.gz PJEWKMPNFQHSII-ZDUSSCGKSA-N 1 0 398.345 2.432 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)[C@@H]1SC ZINC000459544066 650428115 /nfs/dbraw/zinc/42/81/15/650428115.db2.gz CSNHMOCKSAFYJA-FMKPAKJESA-N 1 0 392.974 2.425 20 0 GEADRO C[NH+](C)CC(C)(C)NCC(=O)Nc1ccccc1I ZINC000459549782 650428496 /nfs/dbraw/zinc/42/84/96/650428496.db2.gz NTHYABIQGIOTST-UHFFFAOYSA-N 1 0 375.254 2.160 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000504302224 650429712 /nfs/dbraw/zinc/42/97/12/650429712.db2.gz JMIQVJKAOVLFKI-HNNXBMFYSA-N 1 0 382.302 2.026 20 0 GEADRO CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459708217 650430511 /nfs/dbraw/zinc/43/05/11/650430511.db2.gz SGQKRFLTKZPFJI-SWLSCSKDSA-N 1 0 387.293 2.386 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2O)CC[N@@H+]1CC(C)(C)O ZINC000504415075 650430888 /nfs/dbraw/zinc/43/08/88/650430888.db2.gz HAPHAMRZZNQKNT-GFCCVEGCSA-N 1 0 385.302 2.001 20 0 GEADRO Brc1cscc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459719530 650431359 /nfs/dbraw/zinc/43/13/59/650431359.db2.gz UAMQTJWBNZYQLE-UHFFFAOYSA-N 1 0 375.332 2.482 20 0 GEADRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C12CCC2 ZINC000459780549 650432628 /nfs/dbraw/zinc/43/26/28/650432628.db2.gz XVZGCCUOYNSTNB-HUUCEWRRSA-N 1 0 386.901 2.229 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC1 ZINC000459918561 650435373 /nfs/dbraw/zinc/43/53/73/650435373.db2.gz IYWLOGURNUKKAZ-UHFFFAOYSA-N 1 0 396.329 2.004 20 0 GEADRO COCC[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000505018479 650434383 /nfs/dbraw/zinc/43/43/83/650434383.db2.gz KUMZDFRDMUUBQL-RDJZCZTQSA-N 1 0 390.311 2.437 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000460264703 650440943 /nfs/dbraw/zinc/44/09/43/650440943.db2.gz QCXPMORZAFDRNE-OAHLLOKOSA-N 1 0 398.237 2.461 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000460276490 650441214 /nfs/dbraw/zinc/44/12/14/650441214.db2.gz NYTXFMFJCBHALA-HNNXBMFYSA-N 1 0 396.702 2.391 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000506357132 650444137 /nfs/dbraw/zinc/44/41/37/650444137.db2.gz QCTTYJUSEIUKSZ-NSHDSACASA-N 1 0 386.290 2.243 20 0 GEADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000506914994 650451707 /nfs/dbraw/zinc/45/17/07/650451707.db2.gz DWZPWCCLCIRLQO-UHFFFAOYSA-N 1 0 396.329 2.449 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cnc(CC)s2)[C@@H](C)C1 ZINC000460955927 650448767 /nfs/dbraw/zinc/44/87/67/650448767.db2.gz JKPQDJLGHJEJGO-UONOGXRCSA-N 1 0 375.560 2.121 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000507184464 650455378 /nfs/dbraw/zinc/45/53/78/650455378.db2.gz VOLJYJGDSVLGRS-CYBMUJFWSA-N 1 0 386.359 2.497 20 0 GEADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccncc1Br ZINC000507222761 650456348 /nfs/dbraw/zinc/45/63/48/650456348.db2.gz DCARKPBPKMQNKZ-UHFFFAOYSA-N 1 0 375.270 2.446 20 0 GEADRO OCC[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1CCOCC1 ZINC000461412259 650453742 /nfs/dbraw/zinc/45/37/42/650453742.db2.gz ADDLHPZJLYWQKJ-OAHLLOKOSA-N 1 0 386.286 2.488 20 0 GEADRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000462040371 650464772 /nfs/dbraw/zinc/46/47/72/650464772.db2.gz RFWCRMFLIJDSBC-UKRRQHHQSA-N 1 0 396.329 2.256 20 0 GEADRO CC[NH+]1CCN(CC(=O)Nc2nnc(SCc3ccccc3)s2)CC1 ZINC000461877341 650461280 /nfs/dbraw/zinc/46/12/80/650461280.db2.gz LYRTUXFTHKWUCR-UHFFFAOYSA-N 1 0 377.539 2.406 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000461898096 650462072 /nfs/dbraw/zinc/46/20/72/650462072.db2.gz FTSXHLXPCMZUAX-GXTWGEPZSA-N 1 0 389.315 2.124 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000461897374 650462123 /nfs/dbraw/zinc/46/21/23/650462123.db2.gz ITDJOWJIPZTPCI-LSDHHAIUSA-N 1 0 389.315 2.124 20 0 GEADRO C[C@@H]1CSC[C@@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000507647483 650466032 /nfs/dbraw/zinc/46/60/32/650466032.db2.gz OUACFKQFMIFELJ-CJNGLKHVSA-N 1 0 379.551 2.042 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc1OCC ZINC000507833082 650467520 /nfs/dbraw/zinc/46/75/20/650467520.db2.gz IYUKXFKEWPHRME-AWEZNQCLSA-N 1 0 391.917 2.431 20 0 GEADRO CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc1OC ZINC000507858000 650468216 /nfs/dbraw/zinc/46/82/16/650468216.db2.gz BFHLPSUBGDSAQD-CYBMUJFWSA-N 1 0 377.890 2.041 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)CCc1ccccc1Br ZINC000462101596 650468183 /nfs/dbraw/zinc/46/81/83/650468183.db2.gz KSGLIPGNXYDQHU-AWEZNQCLSA-N 1 0 375.332 2.347 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)CCc2ccccc2Br)CC[N@@H+]1C ZINC000462111807 650469529 /nfs/dbraw/zinc/46/95/29/650469529.db2.gz NYYUEYIXLAZUHX-OCCSQVGLSA-N 1 0 375.332 2.394 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N(CC)CCC[NH+](CC)CC ZINC000508203314 650477201 /nfs/dbraw/zinc/47/72/01/650477201.db2.gz HEQXLGQDXQXLIH-KRWDZBQOSA-N 1 0 375.579 2.161 20 0 GEADRO CCCOc1ccc(Br)cc1CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000462310734 650474586 /nfs/dbraw/zinc/47/45/86/650474586.db2.gz HCIPHVIRVLPWEF-UHFFFAOYSA-N 1 0 398.345 2.444 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462392666 650477687 /nfs/dbraw/zinc/47/76/87/650477687.db2.gz GCZPTUHEHVJERV-ZDUSSCGKSA-N 1 0 379.707 2.477 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462414462 650478397 /nfs/dbraw/zinc/47/83/97/650478397.db2.gz XGZXQVXEKYCXJQ-LRDDRELGSA-N 1 0 399.276 2.304 20 0 GEADRO CC(C)(CNS(=O)(=O)c1ccc(Br)cn1)[NH+]1CCCCC1 ZINC000462430471 650479091 /nfs/dbraw/zinc/47/90/91/650479091.db2.gz VOXIKHCSLUTQTR-UHFFFAOYSA-N 1 0 376.320 2.387 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cn1 ZINC000462486575 650481853 /nfs/dbraw/zinc/48/18/53/650481853.db2.gz BVGIBPBYHLRTQS-LBPRGKRZSA-N 1 0 386.905 2.153 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000508892246 650484242 /nfs/dbraw/zinc/48/42/42/650484242.db2.gz XRCWGGWGUDBIGQ-UHFFFAOYSA-N 1 0 395.308 2.495 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000462689192 650488604 /nfs/dbraw/zinc/48/86/04/650488604.db2.gz VCEQHKRVFHFVIA-SWLSCSKDSA-N 1 0 380.901 2.116 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C 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C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](CCO)CC1CC1 ZINC000510971684 650522269 /nfs/dbraw/zinc/52/22/69/650522269.db2.gz VIKQBMKYKBSESY-NSHDSACASA-N 1 0 388.249 2.323 20 0 GEADRO CC(C)[NH+]1CCC(NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000511004368 650523164 /nfs/dbraw/zinc/52/31/64/650523164.db2.gz YSMBGCSEZGXKAO-UHFFFAOYSA-N 1 0 377.913 2.220 20 0 GEADRO CCO[C@H]1C[C@H]([N@H+](C)CCNS(=O)(=O)CCCOC)C12CCCCC2 ZINC000475352468 650532221 /nfs/dbraw/zinc/53/22/21/650532221.db2.gz DFAFIKLEMFPBAD-IRXDYDNUSA-N 1 0 376.563 2.002 20 0 GEADRO C[C@@](CO)([NH2+]C[C@H](O)COCc1ccco1)c1ccc(Br)cc1 ZINC000511552099 650538489 /nfs/dbraw/zinc/53/84/89/650538489.db2.gz FYQLUKMSCLKKSO-RDJZCZTQSA-N 1 0 384.270 2.417 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2F)C1 ZINC000475766132 650537556 /nfs/dbraw/zinc/53/75/56/650537556.db2.gz HDGFORBNIYLOLW-CQSZACIVSA-N 1 0 376.469 2.395 20 0 GEADRO C[C@@](CO)([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000511567524 650538805 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CSCCCN(C)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512760955 650554030 /nfs/dbraw/zinc/55/40/30/650554030.db2.gz UKSPIHPBMFPANX-GDBMZVCRSA-N 1 0 383.583 2.459 20 0 GEADRO CSCCCN(C)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512760958 650554059 /nfs/dbraw/zinc/55/40/59/650554059.db2.gz UKSPIHPBMFPANX-ZBFHGGJFSA-N 1 0 383.583 2.459 20 0 GEADRO Cc1cc(C)c(C(=O)NCCOCC[NH+](C)C)cc1I ZINC000476607172 650555498 /nfs/dbraw/zinc/55/54/98/650555498.db2.gz XSOKJXWBBYBWAB-UHFFFAOYSA-N 1 0 390.265 2.216 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000512869201 650555526 /nfs/dbraw/zinc/55/55/26/650555526.db2.gz OUTFDVHWFQGYNW-UKRRQHHQSA-N 1 0 380.539 2.403 20 0 GEADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000513001617 650556186 /nfs/dbraw/zinc/55/61/86/650556186.db2.gz KKGDXHGTSKSBSO-UHFFFAOYSA-N 1 0 383.436 2.117 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000513059274 650557171 /nfs/dbraw/zinc/55/71/71/650557171.db2.gz VOGRLCBHWWJBLU-QWHCGFSZSA-N 1 0 391.331 2.193 20 0 GEADRO COC(=O)C[C@](C)([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(Br)cc1 ZINC000513166570 650559268 /nfs/dbraw/zinc/55/92/68/650559268.db2.gz MJGHCOHYIOKBBZ-WBVHZDCISA-N 1 0 396.285 2.075 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000476825312 650560602 /nfs/dbraw/zinc/56/06/02/650560602.db2.gz SCZQPXJVKDBYEO-JTQLQIEISA-N 1 0 388.331 2.182 20 0 GEADRO Cc1cc(Br)ccc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000513434864 650563023 /nfs/dbraw/zinc/56/30/23/650563023.db2.gz NQPQWAKZEWTWBJ-UHFFFAOYSA-N 1 0 380.330 2.498 20 0 GEADRO COc1ccc(Br)cc1C[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000513962857 650572194 /nfs/dbraw/zinc/57/21/94/650572194.db2.gz GTMARGBUXQUKGE-UHFFFAOYSA-N 1 0 384.318 2.054 20 0 GEADRO C[C@H](c1ccccc1Cl)N1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000513964340 650572220 /nfs/dbraw/zinc/57/22/20/650572220.db2.gz HBEZIELOHUGRRB-CVEARBPZSA-N 1 0 385.961 2.300 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000477053701 650567517 /nfs/dbraw/zinc/56/75/17/650567517.db2.gz AOVLOTRHOHBIBF-ZDUSSCGKSA-N 1 0 384.318 2.254 20 0 GEADRO CC(C)[N@H+](C)CC(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000477467682 650574643 /nfs/dbraw/zinc/57/46/43/650574643.db2.gz QDHRDJKXPZTHIY-UHFFFAOYSA-N 1 0 377.869 2.199 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1Cl ZINC000514672598 650576141 /nfs/dbraw/zinc/57/61/41/650576141.db2.gz UUOQJZCWUZXKQU-GHMZBOCLSA-N 1 0 397.324 2.390 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000514824284 650580445 /nfs/dbraw/zinc/58/04/45/650580445.db2.gz AGGLMRONCVSHMQ-XHDPSFHLSA-N 1 0 382.302 2.360 20 0 GEADRO O=C(N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C(=O)NC1C[NH2+]C1 ZINC000514849978 650580953 /nfs/dbraw/zinc/58/09/53/650580953.db2.gz LFSUBDVZQSOVIT-CYBMUJFWSA-N 1 0 375.778 2.014 20 0 GEADRO C[C@@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)[NH+]1CC(C)C1 ZINC000514869712 650582008 /nfs/dbraw/zinc/58/20/08/650582008.db2.gz AJDNQQPQBWUYML-HNNXBMFYSA-N 1 0 380.330 2.434 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CCO1 ZINC000478269424 650583589 /nfs/dbraw/zinc/58/35/89/650583589.db2.gz WDWPVRAATMVSCS-SNVBAGLBSA-N 1 0 396.207 2.066 20 0 GEADRO CS[C@@H]1CN(C(=O)CSCC(=O)Nc2cccc(C)c2)C[C@@H]1[NH+](C)C ZINC000478452390 650585907 /nfs/dbraw/zinc/58/59/07/650585907.db2.gz ARXDGHRFYAIOAQ-JKSUJKDBSA-N 1 0 381.567 2.171 20 0 GEADRO CC[NH+]1CCN(CC(=O)Nc2cc(I)ccc2C)CC1 ZINC000478642189 650589313 /nfs/dbraw/zinc/58/93/13/650589313.db2.gz XICFCHBTXHXXJO-UHFFFAOYSA-N 1 0 387.265 2.176 20 0 GEADRO C[C@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)N(C)C1CC1 ZINC000515235044 650590174 /nfs/dbraw/zinc/59/01/74/650590174.db2.gz WWKZYVRODZCWHS-IAQYHMDHSA-N 1 0 375.282 2.400 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000478711422 650590464 /nfs/dbraw/zinc/59/04/64/650590464.db2.gz PHPKYUSPXBMUHM-ONGXEEELSA-N 1 0 377.666 2.056 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)C[C@H]1c1ccc(Br)cc1 ZINC000515298991 650591343 /nfs/dbraw/zinc/59/13/43/650591343.db2.gz CYKSEFYJAVBOGF-OWCLPIDISA-N 1 0 395.297 2.306 20 0 GEADRO Cc1c(C(=O)NCCC[NH2+]C(C)C)nnn1-c1cccc(Br)c1 ZINC000515350915 650592226 /nfs/dbraw/zinc/59/22/26/650592226.db2.gz KQAPZCMYSVSUSN-UHFFFAOYSA-N 1 0 380.290 2.456 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CC1 ZINC000478882006 650592440 /nfs/dbraw/zinc/59/24/40/650592440.db2.gz HELJTQAMLLILAM-UHFFFAOYSA-N 1 0 383.279 2.321 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000479030562 650594545 /nfs/dbraw/zinc/59/45/45/650594545.db2.gz CXNKIYZDJLLKPN-GFCCVEGCSA-N 1 0 396.285 2.139 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000479036672 650594835 /nfs/dbraw/zinc/59/48/35/650594835.db2.gz XEFFTBZAHFXIKP-JTQLQIEISA-N 1 0 386.677 2.394 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000479053043 650595060 /nfs/dbraw/zinc/59/50/60/650595060.db2.gz YMLJRWUFRRKXTE-RYUDHWBXSA-N 1 0 384.307 2.394 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000479053039 650595075 /nfs/dbraw/zinc/59/50/75/650595075.db2.gz YMLJRWUFRRKXTE-NWDGAFQWSA-N 1 0 384.307 2.394 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479047075 650595113 /nfs/dbraw/zinc/59/51/13/650595113.db2.gz KPJNTZDLMKFKJF-ZDUSSCGKSA-N 1 0 386.323 2.452 20 0 GEADRO CN(C(=O)C(=O)NCCc1c(Cl)cccc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000479049696 650595138 /nfs/dbraw/zinc/59/51/38/650595138.db2.gz PJEXSNATAKYHSF-ZDUSSCGKSA-N 1 0 384.307 2.347 20 0 GEADRO CCOC(=O)CSc1nnc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)s1 ZINC000479089614 650595866 /nfs/dbraw/zinc/59/58/66/650595866.db2.gz JMISDVZXIGPVFX-LLVKDONJSA-N 1 0 384.458 2.013 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c(F)cc1F ZINC000479130517 650596722 /nfs/dbraw/zinc/59/67/22/650596722.db2.gz NIJSYRRHVIODID-QWRGUYRKSA-N 1 0 375.441 2.443 20 0 GEADRO CSCC[C@@H](CO)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479383374 650602370 /nfs/dbraw/zinc/60/23/70/650602370.db2.gz CHOBLEJUNWVPFX-IUCAKERBSA-N 1 0 387.354 2.405 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479407995 650603036 /nfs/dbraw/zinc/60/30/36/650603036.db2.gz KHFBEONSHHOCAU-RWEMILLDSA-N 1 0 394.324 2.206 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479452906 650603945 /nfs/dbraw/zinc/60/39/45/650603945.db2.gz IVKSZYOEKLKFHV-OAHLLOKOSA-N 1 0 390.347 2.249 20 0 GEADRO CC[C@]1(C(=O)NCc2ccc(Br)cc2N2CCOCC2)CCC[NH2+]1 ZINC000518380894 650603991 /nfs/dbraw/zinc/60/39/91/650603991.db2.gz FUXLQNUSUAPIES-GOSISDBHSA-N 1 0 396.329 2.434 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000518501878 650605286 /nfs/dbraw/zinc/60/52/86/650605286.db2.gz BSYXUFOIHUGHLM-LBPRGKRZSA-N 1 0 382.302 2.084 20 0 GEADRO CC1CC[NH+]([C@H](CNC(=O)C(=O)N2CCSCC2)c2cccs2)CC1 ZINC000516666061 650600210 /nfs/dbraw/zinc/60/02/10/650600210.db2.gz DMUASHSBMIIBQN-OAHLLOKOSA-N 1 0 381.567 2.213 20 0 GEADRO O=c1[nH]ccc2c1C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)CC2 ZINC000519272651 650608754 /nfs/dbraw/zinc/60/87/54/650608754.db2.gz AAQSSTYXCYZDLR-AWEZNQCLSA-N 1 0 397.244 2.487 20 0 GEADRO CC[NH2+]CCCNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000520204502 650613871 /nfs/dbraw/zinc/61/38/71/650613871.db2.gz UMRUEKANZDVEQK-UHFFFAOYSA-N 1 0 382.262 2.298 20 0 GEADRO [NH3+][C@H]1C[C@@H]2CN(c3ccnc4c(Cl)cc(Br)cc34)CCN2C1=O ZINC000519616359 650609699 /nfs/dbraw/zinc/60/96/99/650609699.db2.gz SJYBCZLFEFFBIQ-MFKMUULPSA-N 1 0 395.688 2.399 20 0 GEADRO C[C@H]1[C@@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CCC[N@@H+]1C ZINC000479771834 650609832 /nfs/dbraw/zinc/60/98/32/650609832.db2.gz UUCUVSBMDQUENL-AAEUAGOBSA-N 1 0 390.347 2.497 20 0 GEADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479874351 650611601 /nfs/dbraw/zinc/61/16/01/650611601.db2.gz IZZWPXNIZUIHLM-TXEJJXNPSA-N 1 0 381.270 2.098 20 0 GEADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000520588032 650615100 /nfs/dbraw/zinc/61/51/00/650615100.db2.gz BVVIWRIOFBMMTG-WMZOPIPTSA-N 1 0 378.314 2.093 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)CSCc2cc(-c3cccs3)on2)C1 ZINC000520765974 650616624 /nfs/dbraw/zinc/61/66/24/650616624.db2.gz CVROTEUQQNBXEH-CYBMUJFWSA-N 1 0 381.523 2.473 20 0 GEADRO COc1cc(NC(=O)C[C@H]2CSCC[NH2+]2)cc(OC)c1Br ZINC000521425730 650617344 /nfs/dbraw/zinc/61/73/44/650617344.db2.gz SKWOZJOFNTUMAO-JTQLQIEISA-N 1 0 375.288 2.500 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000521672644 650618484 /nfs/dbraw/zinc/61/84/84/650618484.db2.gz QEQOPQXNSOXXJG-ZDUSSCGKSA-N 1 0 380.901 2.466 20 0 GEADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000521702951 650618789 /nfs/dbraw/zinc/61/87/89/650618789.db2.gz RLLJPCVSYLKPFY-UHFFFAOYSA-N 1 0 381.523 2.166 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000480643447 650626442 /nfs/dbraw/zinc/62/64/42/650626442.db2.gz GYCMQWLAMNFEEH-UHFFFAOYSA-N 1 0 378.897 2.352 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(Br)c1 ZINC000480807612 650633106 /nfs/dbraw/zinc/63/31/06/650633106.db2.gz UTFOELIXARDRBU-IINYFYTJSA-N 1 0 389.315 2.219 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000524721198 650645578 /nfs/dbraw/zinc/64/55/78/650645578.db2.gz XSFRVKOOUJCZMI-KGLIPLIRSA-N 1 0 394.313 2.260 20 0 GEADRO COC(=O)C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000524752417 650645860 /nfs/dbraw/zinc/64/58/60/650645860.db2.gz LJDLQSDTWNFTOU-UHFFFAOYSA-N 1 0 399.285 2.432 20 0 GEADRO C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)N1CCc2sccc2C1 ZINC000481290009 650643948 /nfs/dbraw/zinc/64/39/48/650643948.db2.gz JBHRXOIRRNZFNT-KBXCAEBGSA-N 1 0 382.599 2.231 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000481479774 650647355 /nfs/dbraw/zinc/64/73/55/650647355.db2.gz QTBRSMSXYPVZIR-UHFFFAOYSA-N 1 0 385.848 2.394 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000525247158 650652433 /nfs/dbraw/zinc/65/24/33/650652433.db2.gz OSKNURIKGWQQCZ-INIZCTEOSA-N 1 0 390.933 2.317 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCOC1 ZINC000481819175 650654066 /nfs/dbraw/zinc/65/40/66/650654066.db2.gz WCUZNBNIQCWLQJ-LSDHHAIUSA-N 1 0 380.286 2.369 20 0 GEADRO CC[N@H+](CCOc1ccc(Br)cc1)CCN1C(=O)NC(C)(C)C1=O ZINC000525637185 650655298 /nfs/dbraw/zinc/65/52/98/650655298.db2.gz BBSMYWQTIFUAAF-UHFFFAOYSA-N 1 0 398.301 2.480 20 0 GEADRO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481914645 650656124 /nfs/dbraw/zinc/65/61/24/650656124.db2.gz STFWASFDXOHSTM-INIZCTEOSA-N 1 0 387.933 2.300 20 0 GEADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC[N@@H+]1C ZINC000525702590 650656713 /nfs/dbraw/zinc/65/67/13/650656713.db2.gz KHNUWLCZXISOPD-DGCLKSJQSA-N 1 0 385.917 2.328 20 0 GEADRO CC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481994785 650658062 /nfs/dbraw/zinc/65/80/62/650658062.db2.gz XZNOIXPKDYOJAZ-ZBFHGGJFSA-N 1 0 376.906 2.094 20 0 GEADRO Cc1nccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1Br ZINC000525845888 650659014 /nfs/dbraw/zinc/65/90/14/650659014.db2.gz WKRHTGCQCHLFFJ-CABCVRRESA-N 1 0 397.317 2.074 20 0 GEADRO Cc1nccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1Br ZINC000525845891 650659017 /nfs/dbraw/zinc/65/90/17/650659017.db2.gz WKRHTGCQCHLFFJ-LSDHHAIUSA-N 1 0 397.317 2.074 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000527043746 650665813 /nfs/dbraw/zinc/66/58/13/650665813.db2.gz LXQAOAYBOMAZIR-KBPBESRZSA-N 1 0 390.933 2.374 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000527224097 650671472 /nfs/dbraw/zinc/67/14/72/650671472.db2.gz OHPVBKOCIJDPGO-WFASDCNBSA-N 1 0 397.317 2.005 20 0 GEADRO Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1Br ZINC000483935152 650683353 /nfs/dbraw/zinc/68/33/53/650683353.db2.gz RTTZJPULUKPCLI-MRXNPFEDSA-N 1 0 394.313 2.136 20 0 GEADRO O[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000527570731 650679445 /nfs/dbraw/zinc/67/94/45/650679445.db2.gz XPKIXZSZUGOTFB-OUCADQQQSA-N 1 0 398.248 2.054 20 0 GEADRO COCC1(C(=O)N2CCc3ccc(F)c(Br)c3C2)CC[NH2+]CC1 ZINC000527617870 650680947 /nfs/dbraw/zinc/68/09/47/650680947.db2.gz SGWRFZVFNWCUNH-UHFFFAOYSA-N 1 0 385.277 2.489 20 0 GEADRO CCC(F)(F)C(C)(C)C[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000527664750 650681535 /nfs/dbraw/zinc/68/15/35/650681535.db2.gz KWPCPZVORMZTEZ-UHFFFAOYSA-N 1 0 378.489 2.234 20 0 GEADRO Cn1cc([C@H](O)C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)cn1 ZINC000527669510 650681639 /nfs/dbraw/zinc/68/16/39/650681639.db2.gz XOCZJZIGDSZYNZ-LLVKDONJSA-N 1 0 382.287 2.457 20 0 GEADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cccc(Br)c1F ZINC000527752729 650682079 /nfs/dbraw/zinc/68/20/79/650682079.db2.gz HCOVLEHVUSQSBW-QGZVFWFLSA-N 1 0 387.293 2.294 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cccc(F)c1Br ZINC000527754738 650682491 /nfs/dbraw/zinc/68/24/91/650682491.db2.gz QKDCBDDADCOCJK-KRWDZBQOSA-N 1 0 387.293 2.294 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000527768044 650682594 /nfs/dbraw/zinc/68/25/94/650682594.db2.gz CZMBVFAGBRRQJQ-LLVKDONJSA-N 1 0 392.244 2.247 20 0 GEADRO Cc1nn(C)c(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c1Br ZINC000527767175 650682650 /nfs/dbraw/zinc/68/26/50/650682650.db2.gz MIJGQBKGPOCFIV-UHFFFAOYSA-N 1 0 394.317 2.395 20 0 GEADRO C[C@]1(Br)C[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000527914007 650682845 /nfs/dbraw/zinc/68/28/45/650682845.db2.gz ZJFOKWQLBXNDRV-HKUYNNGSSA-N 1 0 394.357 2.484 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(c2ccc(I)cn2)CC1 ZINC000528190200 650686573 /nfs/dbraw/zinc/68/65/73/650686573.db2.gz LAIMJLSCKHAHDE-UHFFFAOYSA-N 1 0 387.265 2.377 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000484256603 650686626 /nfs/dbraw/zinc/68/66/26/650686626.db2.gz QOVVHOPHYCQAQF-RYUDHWBXSA-N 1 0 399.563 2.097 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000528290707 650687508 /nfs/dbraw/zinc/68/75/08/650687508.db2.gz AWNPZLLEAYCXGQ-UHFFFAOYSA-N 1 0 382.404 2.358 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000528285049 650687518 /nfs/dbraw/zinc/68/75/18/650687518.db2.gz CZYZUKXPOCCWHH-CQSZACIVSA-N 1 0 385.917 2.012 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000528284569 650687523 /nfs/dbraw/zinc/68/75/23/650687523.db2.gz AKZWRZIKPGJQPW-UHFFFAOYSA-N 1 0 382.404 2.309 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000528304017 650687922 /nfs/dbraw/zinc/68/79/22/650687922.db2.gz VNBWFCOWINMALR-NSHDSACASA-N 1 0 382.404 2.356 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2Br)[C@H](C)C1 ZINC000484718886 650689053 /nfs/dbraw/zinc/68/90/53/650689053.db2.gz KAMDYPHFDGDSBB-NEPJUHHUSA-N 1 0 388.281 2.185 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000484725640 650689165 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2.012 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000485177195 650694094 /nfs/dbraw/zinc/69/40/94/650694094.db2.gz XZDHCKFDKFPPAH-UHFFFAOYSA-N 1 0 380.901 2.119 20 0 GEADRO CCOc1cc(CN2CC[NH+]([C@@H](CC)CO)CC2)cc(Br)c1O ZINC000485240959 650694559 /nfs/dbraw/zinc/69/45/59/650694559.db2.gz LYSXKZYTVTUSEQ-AWEZNQCLSA-N 1 0 387.318 2.442 20 0 GEADRO CNS(=O)(=O)N1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000485307394 650695134 /nfs/dbraw/zinc/69/51/34/650695134.db2.gz UAEODOLOJGVPEV-UHFFFAOYSA-N 1 0 380.341 2.398 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)[C@H]1SC ZINC000485324509 650695143 /nfs/dbraw/zinc/69/51/43/650695143.db2.gz WIBPDJFMMGUMJQ-RRFJBIMHSA-N 1 0 378.947 2.117 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000485354758 650695351 /nfs/dbraw/zinc/69/53/51/650695351.db2.gz RKUXCSSXLSUDBP-UHFFFAOYSA-N 1 0 383.258 2.490 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1cc(I)ccc1Cl ZINC000528683357 650697738 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383.901 2.094 20 0 GEADRO C[NH+]1CCC(CC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000486082045 650707033 /nfs/dbraw/zinc/70/70/33/650707033.db2.gz VVNOZLBMJRSEEJ-UHFFFAOYSA-N 1 0 396.329 2.417 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c(F)cc1F ZINC000486207067 650709020 /nfs/dbraw/zinc/70/90/20/650709020.db2.gz YFRMAPOYMKTHQK-QWRGUYRKSA-N 1 0 375.441 2.253 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cncc(I)c1 ZINC000530025097 650710809 /nfs/dbraw/zinc/71/08/09/650710809.db2.gz YNCJWDJJAYUHIU-AWEZNQCLSA-N 1 0 385.249 2.433 20 0 GEADRO C[C@H](c1ccccc1Br)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530224678 650718914 /nfs/dbraw/zinc/71/89/14/650718914.db2.gz UZGYTFGTVDQBLU-CQSZACIVSA-N 1 0 381.318 2.153 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530244252 650719386 /nfs/dbraw/zinc/71/93/86/650719386.db2.gz ZXBGZNBAQBNNHT-SJORKVTESA-N 1 0 396.329 2.066 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1csc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000531306456 650736520 /nfs/dbraw/zinc/73/65/20/650736520.db2.gz WOLANYPEWLOOOU-ZDUSSCGKSA-N 1 0 387.914 2.082 20 0 GEADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)cc1 ZINC000487219102 650730834 /nfs/dbraw/zinc/73/08/34/650730834.db2.gz WQBYYEJUYNVPOT-UHFFFAOYSA-N 1 0 378.475 2.459 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000487511018 650734822 /nfs/dbraw/zinc/73/48/22/650734822.db2.gz ZAJVKLGEQWIJCR-WBMJQRKESA-N 1 0 377.286 2.449 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000487511010 650734961 /nfs/dbraw/zinc/73/49/61/650734961.db2.gz ZAJVKLGEQWIJCR-LRDDRELGSA-N 1 0 377.286 2.449 20 0 GEADRO COCCN1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000531720152 650743500 /nfs/dbraw/zinc/74/35/00/650743500.db2.gz OEGCYIRDFZAIJD-CJNGLKHVSA-N 1 0 384.318 2.477 20 0 GEADRO C[C@H](CNC(=O)NCC(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000487908531 650739206 /nfs/dbraw/zinc/73/92/06/650739206.db2.gz DSSICYZGEAAJBY-CYBMUJFWSA-N 1 0 397.317 2.419 20 0 GEADRO C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)Sc1ccc(Br)cc1 ZINC000488310041 650744212 /nfs/dbraw/zinc/74/42/12/650744212.db2.gz HOMXSMVCNQBBLQ-CZUORRHYSA-N 1 0 398.370 2.436 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=S)NCC[NH+](C)C)ccc1Cl ZINC000007643091 642343349 /nfs/dbraw/zinc/34/33/49/642343349.db2.gz KBWFGQHXLZXJEA-UHFFFAOYSA-N 1 0 392.978 2.219 20 0 GEADRO Nc1cc(N)[nH+]c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000009940742 642356455 /nfs/dbraw/zinc/35/64/55/642356455.db2.gz LELZZCYJMMNWCS-UHFFFAOYSA-N 1 0 378.767 2.439 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000532179293 650745824 /nfs/dbraw/zinc/74/58/24/650745824.db2.gz KYMITJDGTVSWAK-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000028069972 642444844 /nfs/dbraw/zinc/44/48/44/642444844.db2.gz VISGKPDJABKKGT-UHFFFAOYSA-N 1 0 387.933 2.100 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(CCOc2cccc(Br)c2)CC1 ZINC000489146159 650755253 /nfs/dbraw/zinc/75/52/53/650755253.db2.gz GCTOQLYDLLYBNR-UHFFFAOYSA-N 1 0 396.329 2.068 20 0 GEADRO CS(=O)(=O)CCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000533026975 650755738 /nfs/dbraw/zinc/75/57/38/650755738.db2.gz MRGIBDHVDYQAGL-UHFFFAOYSA-N 1 0 376.316 2.479 20 0 GEADRO CC[NH+]1CCC(NC(=O)CSc2nnc(NCc3ccco3)s2)CC1 ZINC000029618005 642465905 /nfs/dbraw/zinc/46/59/05/642465905.db2.gz GKWSEOFIIBWACL-UHFFFAOYSA-N 1 0 381.527 2.436 20 0 GEADRO CC(C)[NH+](CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000032424745 642493860 /nfs/dbraw/zinc/49/38/60/642493860.db2.gz YMZXNAGDSKOABP-UHFFFAOYSA-N 1 0 389.949 2.439 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000032734771 642497704 /nfs/dbraw/zinc/49/77/04/642497704.db2.gz HSDYZNDQCLPIHR-STQMWFEESA-N 1 0 387.933 2.241 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@H](C)[NH+](C)C)[nH]c(=O)c2c1C ZINC000033093890 642501511 /nfs/dbraw/zinc/50/15/11/642501511.db2.gz SVCLLHGPGXZWIA-CABZTGNLSA-N 1 0 382.555 2.289 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000036753662 642509892 /nfs/dbraw/zinc/50/98/92/642509892.db2.gz HWDMWXUPLNSHTG-UHFFFAOYSA-N 1 0 383.695 2.223 20 0 GEADRO COc1c(Br)cc(C[NH2+]CC(=O)N(C)C)cc1Br ZINC000037254266 642512477 /nfs/dbraw/zinc/51/24/77/642512477.db2.gz TXRMTKWGOVVCIY-UHFFFAOYSA-N 1 0 380.080 2.398 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)CN1CC[NH2+]CC1 ZINC000037631597 642514725 /nfs/dbraw/zinc/51/47/25/642514725.db2.gz GQWDKXSPYAMHOC-UHFFFAOYSA-N 1 0 376.682 2.345 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]CCCS(C)(=O)=O)cc1OC ZINC000038047531 642516081 /nfs/dbraw/zinc/51/60/81/642516081.db2.gz XJGVTKNEZDVQAZ-UHFFFAOYSA-N 1 0 380.304 2.381 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000038083410 642517057 /nfs/dbraw/zinc/51/70/57/642517057.db2.gz OXTOCGLQIYCPFB-WDEREUQCSA-N 1 0 379.263 2.377 20 0 GEADRO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ncc(Br)s1 ZINC000533786277 650765520 /nfs/dbraw/zinc/76/55/20/650765520.db2.gz KJVVYCUYIAQYJB-NSHDSACASA-N 1 0 389.363 2.499 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000041927904 642536162 /nfs/dbraw/zinc/53/61/62/642536162.db2.gz LREMCQGADLNUJF-UHFFFAOYSA-N 1 0 375.922 2.050 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042056541 642540637 /nfs/dbraw/zinc/54/06/37/642540637.db2.gz LPQMITSGDCPQRZ-LSDHHAIUSA-N 1 0 380.286 2.439 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2n[nH]cc2Br)[C@H]1c1ccccc1 ZINC000533947930 650767605 /nfs/dbraw/zinc/76/76/05/650767605.db2.gz IYJNSOKJNTZZHS-UKRRQHHQSA-N 1 0 378.274 2.417 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000042159324 642544304 /nfs/dbraw/zinc/54/43/04/642544304.db2.gz GDRCGJNNNCHPBC-UHFFFAOYSA-N 1 0 389.949 2.441 20 0 GEADRO CC[C@H](CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)[NH+]1CCCC1 ZINC000042227142 642545878 /nfs/dbraw/zinc/54/58/78/642545878.db2.gz VQZCMWXFHVLYMQ-CABCVRRESA-N 1 0 388.965 2.169 20 0 GEADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCN(C)S(C)(=O)=O ZINC000042230124 642546018 /nfs/dbraw/zinc/54/60/18/642546018.db2.gz GHNCNYINTAHDSO-UHFFFAOYSA-N 1 0 384.933 2.264 20 0 GEADRO C[C@@H]1C[C@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000533311227 650760040 /nfs/dbraw/zinc/76/00/40/650760040.db2.gz MLMYRZAHKBLIBZ-IUODEOHRSA-N 1 0 379.302 2.372 20 0 GEADRO COCCOC1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000533433777 650761198 /nfs/dbraw/zinc/76/11/98/650761198.db2.gz BEAGZKMBQUCTQD-UHFFFAOYSA-N 1 0 396.285 2.084 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)Cc2ccc(Br)cc2O)ccc1=O ZINC000489680734 650761691 /nfs/dbraw/zinc/76/16/91/650761691.db2.gz ROVNMHSPGFMABX-UHFFFAOYSA-N 1 0 394.269 2.059 20 0 GEADRO C[NH+](C)CCNC(=S)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000044081077 642568753 /nfs/dbraw/zinc/56/87/53/642568753.db2.gz JBFXFMPMNGDEJA-UHFFFAOYSA-N 1 0 378.523 2.335 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000045059268 642588022 /nfs/dbraw/zinc/58/80/22/642588022.db2.gz HHIKCJXZVSEIMS-CQSZACIVSA-N 1 0 394.313 2.403 20 0 GEADRO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000045158026 642589666 /nfs/dbraw/zinc/58/96/66/642589666.db2.gz YOABHOFPPLFHES-CYBMUJFWSA-N 1 0 382.302 2.260 20 0 GEADRO CC[NH+]1CCN(CC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000533935060 650767294 /nfs/dbraw/zinc/76/72/94/650767294.db2.gz VCNUXZVREKBELV-UHFFFAOYSA-N 1 0 388.339 2.342 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000534158680 650769641 /nfs/dbraw/zinc/76/96/41/650769641.db2.gz OCAJPDMSICRSOB-UHFFFAOYSA-N 1 0 382.302 2.496 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2F)C[C@@H]1[NH+](C)C ZINC000534172197 650770143 /nfs/dbraw/zinc/77/01/43/650770143.db2.gz RDHPRLTXGAITEA-RYUDHWBXSA-N 1 0 397.335 2.254 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000046862373 642618196 /nfs/dbraw/zinc/61/81/96/642618196.db2.gz QHDYQBXWCUCIMM-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000046947005 642620287 /nfs/dbraw/zinc/62/02/87/642620287.db2.gz BXXJVSQQMMIXAW-CABCVRRESA-N 1 0 398.345 2.359 20 0 GEADRO Cc1nccn1CCC[N@@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000534315739 650772388 /nfs/dbraw/zinc/77/23/88/650772388.db2.gz NTFBOLWCXOICLJ-UHFFFAOYSA-N 1 0 390.285 2.484 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)Cc2ccccc2Br)CC1 ZINC000534067710 650768746 /nfs/dbraw/zinc/76/87/46/650768746.db2.gz XUVVMYIEDZDDTG-UHFFFAOYSA-N 1 0 397.313 2.383 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000050081564 642676433 /nfs/dbraw/zinc/67/64/33/642676433.db2.gz JGTBLRSXJGZMFM-UHFFFAOYSA-N 1 0 389.949 2.442 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000050202899 642677852 /nfs/dbraw/zinc/67/78/52/642677852.db2.gz KDDQIZOYQXUYEP-CYBMUJFWSA-N 1 0 396.285 2.093 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000051283432 642693040 /nfs/dbraw/zinc/69/30/40/642693040.db2.gz LUXZZXUHEVOPFT-JTQLQIEISA-N 1 0 388.331 2.229 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(F)c(Br)c3)C2)C1 ZINC000490601570 650776913 /nfs/dbraw/zinc/77/69/13/650776913.db2.gz MMQRCMRJQBVVHH-CQSZACIVSA-N 1 0 377.279 2.305 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@H]1[NH+](C)C ZINC000534906652 650782138 /nfs/dbraw/zinc/78/21/38/650782138.db2.gz AZMFBTKCBFVORG-RKDXNWHRSA-N 1 0 385.374 2.177 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000534906792 650782229 /nfs/dbraw/zinc/78/22/29/650782229.db2.gz JJFSWWZDSOFFFP-STQMWFEESA-N 1 0 379.345 2.115 20 0 GEADRO C[N@H+](CCCOc1cccc(Cl)c1)CC(=O)NC(=O)NCC(F)(F)F ZINC000052458075 642719183 /nfs/dbraw/zinc/71/91/83/642719183.db2.gz MXQMBBRXBASNCZ-UHFFFAOYSA-N 1 0 381.782 2.429 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000052561629 642721654 /nfs/dbraw/zinc/72/16/54/642721654.db2.gz UQSDFUBGBDBGGT-CQSZACIVSA-N 1 0 383.290 2.171 20 0 GEADRO CS[C@@H]1CN(C(=O)COc2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000534828168 650781048 /nfs/dbraw/zinc/78/10/48/650781048.db2.gz ZGIJYJRWZSCHDQ-GXTWGEPZSA-N 1 0 391.306 2.471 20 0 GEADRO CC1CC[NH+](CCNC(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000054780230 642759139 /nfs/dbraw/zinc/75/91/39/642759139.db2.gz BKGYTMFECKISIP-UHFFFAOYSA-N 1 0 388.331 2.089 20 0 GEADRO C[C@@H](CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCCCC1 ZINC000054988769 642766315 /nfs/dbraw/zinc/76/63/15/642766315.db2.gz BWHJQUFCSNQMAS-AWEZNQCLSA-N 1 0 384.571 2.098 20 0 GEADRO C[C@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCC1)[NH+]1CCCCC1 ZINC000055934633 642785210 /nfs/dbraw/zinc/78/52/10/642785210.db2.gz LGFIDIFHRIHSJK-CQSZACIVSA-N 1 0 385.555 2.137 20 0 GEADRO C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCC1)[NH+]1CCCCC1 ZINC000055934632 642785382 /nfs/dbraw/zinc/78/53/82/642785382.db2.gz LGFIDIFHRIHSJK-AWEZNQCLSA-N 1 0 385.555 2.137 20 0 GEADRO C[NH+](C)CCOCCNC(=O)Nc1ccc2nccnc2c1Br ZINC000491111876 650783134 /nfs/dbraw/zinc/78/31/34/650783134.db2.gz OAVGBGALUAGHLI-UHFFFAOYSA-N 1 0 382.262 2.092 20 0 GEADRO Cc1cc(Br)oc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000057066800 642802657 /nfs/dbraw/zinc/80/26/57/642802657.db2.gz KNTGSHCMGORLOW-UHFFFAOYSA-N 1 0 384.318 2.450 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000491117271 650783448 /nfs/dbraw/zinc/78/34/48/650783448.db2.gz MWEHSJUMIQYVHU-ZDUSSCGKSA-N 1 0 385.917 2.231 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)c(Br)s2)C[C@H]1[NH+](C)C ZINC000535619631 650789477 /nfs/dbraw/zinc/78/94/77/650789477.db2.gz FDQCNNFBLKMUTP-NXEZZACHSA-N 1 0 399.401 2.485 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000491227627 650784444 /nfs/dbraw/zinc/78/44/44/650784444.db2.gz GNANHBVNUKIKKY-KBPBESRZSA-N 1 0 396.285 2.139 20 0 GEADRO O=C(CSc1nnc(NCC(F)(F)F)s1)NC1CC[NH+](C2CC2)CC1 ZINC000057813112 642817454 /nfs/dbraw/zinc/81/74/54/642817454.db2.gz OXZVTYJXLHWFRZ-UHFFFAOYSA-N 1 0 395.476 2.347 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000059829253 642832017 /nfs/dbraw/zinc/83/20/17/642832017.db2.gz MBRPOHVTDWYDAC-UHFFFAOYSA-N 1 0 389.587 2.373 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(C(=O)CCn3cc(Br)ccc3=O)C2)CC1 ZINC000535142962 650785812 /nfs/dbraw/zinc/78/58/12/650785812.db2.gz MLELBDPGLRCISI-HNNXBMFYSA-N 1 0 396.329 2.191 20 0 GEADRO COCCNC(=O)c1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1Cl ZINC000063149781 642853527 /nfs/dbraw/zinc/85/35/27/642853527.db2.gz ZYMPJXNKHUFBRO-UHFFFAOYSA-N 1 0 384.933 2.097 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)CCc2ccc(Br)cc2F)CC1 ZINC000063342222 642857631 /nfs/dbraw/zinc/85/76/31/642857631.db2.gz QWRLNOUVAVWGTN-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO O=C1C(=O)N(CN2CC[C@@H]([NH+]3CCCC3)C2)c2cccc(Br)c21 ZINC000066080839 642896043 /nfs/dbraw/zinc/89/60/43/642896043.db2.gz QKGZCOARMVVRIT-GFCCVEGCSA-N 1 0 378.270 2.106 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000066187317 642899987 /nfs/dbraw/zinc/89/99/87/642899987.db2.gz SPEKBZYDEWCDIE-ZDUSSCGKSA-N 1 0 399.333 2.208 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000066222651 642901492 /nfs/dbraw/zinc/90/14/92/642901492.db2.gz DJKFSWYBYWGPLE-GFCCVEGCSA-N 1 0 396.285 2.093 20 0 GEADRO CCS(=O)(=O)N(C)C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000066878907 642944992 /nfs/dbraw/zinc/94/49/92/642944992.db2.gz GPLOZTRPCNAAHJ-UHFFFAOYSA-N 1 0 387.933 2.415 20 0 GEADRO Cc1cc(Br)cc2c1[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)CC2 ZINC000493960294 650799749 /nfs/dbraw/zinc/79/97/49/650799749.db2.gz LDNGTILLJAJYBH-MRXNPFEDSA-N 1 0 380.330 2.499 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000066924393 642951554 /nfs/dbraw/zinc/95/15/54/642951554.db2.gz STZNATFMNZDUPH-UHFFFAOYSA-N 1 0 387.933 2.193 20 0 GEADRO CSCc1nc2ccccc2n1CC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000536336335 650800266 /nfs/dbraw/zinc/80/02/66/650800266.db2.gz CXTQXSLPFNGBSV-CVEARBPZSA-N 1 0 378.567 2.403 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000066944190 642955480 /nfs/dbraw/zinc/95/54/80/642955480.db2.gz OLEJJHXGYFZRRW-HNNXBMFYSA-N 1 0 382.302 2.088 20 0 GEADRO Cc1nc2ccc(C[NH2+]CCS(=O)(=O)NC[C@H]3CCCCO3)cc2s1 ZINC000494028338 650800497 /nfs/dbraw/zinc/80/04/97/650800497.db2.gz QKKAYZFXMPKKIO-OAHLLOKOSA-N 1 0 383.539 2.183 20 0 GEADRO O[C@@H](C[NH2+]Cc1cccnc1)COc1ccc(I)cc1 ZINC000066992933 642956839 /nfs/dbraw/zinc/95/68/39/642956839.db2.gz SVECHHRMTUUTNF-AWEZNQCLSA-N 1 0 384.217 2.216 20 0 GEADRO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(I)cc2)C[C@@H]1O ZINC000536369147 650801001 /nfs/dbraw/zinc/80/10/01/650801001.db2.gz OFRIVTGLMJHEAJ-GYSYKLTISA-N 1 0 388.249 2.321 20 0 GEADRO CC(C)(CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1Br ZINC000494081821 650801161 /nfs/dbraw/zinc/80/11/61/650801161.db2.gz MYIPTFHXRVWSOO-INIZCTEOSA-N 1 0 380.330 2.233 20 0 GEADRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1 ZINC000068385993 642992579 /nfs/dbraw/zinc/99/25/79/642992579.db2.gz YQQZIAVPKGILTO-LBPRGKRZSA-N 1 0 381.523 2.255 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000068436890 642996843 /nfs/dbraw/zinc/99/68/43/642996843.db2.gz VZUZUYLBJQMCMG-GFCCVEGCSA-N 1 0 385.306 2.136 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000068469232 643000893 /nfs/dbraw/zinc/00/08/93/643000893.db2.gz CXYIMVRKPHTATP-LBPRGKRZSA-N 1 0 385.306 2.417 20 0 GEADRO CN(C)S(=O)(=O)CCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831174 643012609 /nfs/dbraw/zinc/01/26/09/643012609.db2.gz RMIZNEPAJPSEBP-UHFFFAOYSA-N 1 0 383.341 2.459 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000069375735 643030613 /nfs/dbraw/zinc/03/06/13/643030613.db2.gz XZPTUFNDLCJPNW-ZIAGYGMSSA-N 1 0 384.307 2.329 20 0 GEADRO NC(=O)COc1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000069752352 643040184 /nfs/dbraw/zinc/04/01/84/643040184.db2.gz SGPIDQNISRTUNE-UHFFFAOYSA-N 1 0 392.253 2.042 20 0 GEADRO O=C(CN1CCC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000069803174 643040777 /nfs/dbraw/zinc/04/07/77/643040777.db2.gz LYBDPGOZZSEAQX-HNNXBMFYSA-N 1 0 396.329 2.432 20 0 GEADRO O=C(COc1ccc(Br)cc1)N1CC[NH+](CCCCCO)CC1 ZINC000070017821 643047134 /nfs/dbraw/zinc/04/71/34/643047134.db2.gz JYOCBYXPLNSVCT-UHFFFAOYSA-N 1 0 385.302 2.135 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000071109373 643058999 /nfs/dbraw/zinc/05/89/99/643058999.db2.gz MXNCJSAXRQHQTQ-DZGCQCFKSA-N 1 0 380.286 2.439 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000071312828 643060135 /nfs/dbraw/zinc/06/01/35/643060135.db2.gz QWAXCQLXMOWRBX-GFCCVEGCSA-N 1 0 377.304 2.220 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000080218788 643064516 /nfs/dbraw/zinc/06/45/16/643064516.db2.gz RWFUQERZAFMGRG-MRXNPFEDSA-N 1 0 375.579 2.209 20 0 GEADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000090724516 643065180 /nfs/dbraw/zinc/06/51/80/643065180.db2.gz NIDFYNQPFPVMBC-ZIAGYGMSSA-N 1 0 376.544 2.497 20 0 GEADRO COCC[N@H+](CCC(=O)OC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093415945 643076937 /nfs/dbraw/zinc/07/69/37/643076937.db2.gz UUMKNBJDCQATRD-UHFFFAOYSA-N 1 0 375.219 2.369 20 0 GEADRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000093985883 643085720 /nfs/dbraw/zinc/08/57/20/643085720.db2.gz XESASANKEISDLV-KGLIPLIRSA-N 1 0 385.555 2.135 20 0 GEADRO CC[C@@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1cc(F)cc(Br)c1 ZINC000537308098 650812661 /nfs/dbraw/zinc/81/26/61/650812661.db2.gz QNAHIEQGDZMDGQ-UONOGXRCSA-N 1 0 380.279 2.443 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000096866129 643091262 /nfs/dbraw/zinc/09/12/62/643091262.db2.gz FDKGVIDBGZGSIZ-MNOVXSKESA-N 1 0 377.304 2.219 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000096996838 643092644 /nfs/dbraw/zinc/09/26/44/643092644.db2.gz BKPVWUJHKCYCTA-UHFFFAOYSA-N 1 0 375.210 2.308 20 0 GEADRO CN(CCN(C)S(=O)(=O)c1cccc(Cl)c1F)C1CC[NH+](C)CC1 ZINC000097000089 643093216 /nfs/dbraw/zinc/09/32/16/643093216.db2.gz NTVQZNTVVLOUBL-UHFFFAOYSA-N 1 0 377.913 2.126 20 0 GEADRO C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000097617404 643097072 /nfs/dbraw/zinc/09/70/72/643097072.db2.gz HNVIMRRSYJWNQF-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)cnc2Cl)CCC1 ZINC000097930025 643098673 /nfs/dbraw/zinc/09/86/73/643098673.db2.gz PFBSGLYGXHKVIR-UHFFFAOYSA-N 1 0 382.711 2.260 20 0 GEADRO CC(C)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000098038677 643100699 /nfs/dbraw/zinc/10/06/99/643100699.db2.gz FBRWUEIFGIKCBK-UHFFFAOYSA-N 1 0 392.363 2.398 20 0 GEADRO O=S1(=O)CCC(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000537328046 650813688 /nfs/dbraw/zinc/81/36/88/650813688.db2.gz XJYNPLFCGKOPPF-UHFFFAOYSA-N 1 0 389.308 2.489 20 0 GEADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)Cc2ccc(Cl)nc2)cc1 ZINC000101572710 643108975 /nfs/dbraw/zinc/10/89/75/643108975.db2.gz KYLIGZGKZZWUME-UHFFFAOYSA-N 1 0 383.901 2.295 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccccc1 ZINC000101583098 643111792 /nfs/dbraw/zinc/11/17/92/643111792.db2.gz XSUGTAILWPWAPB-INIZCTEOSA-N 1 0 390.281 2.385 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)c2cc(Br)cnc2Cl)CC1 ZINC000101641447 643113927 /nfs/dbraw/zinc/11/39/27/643113927.db2.gz RRBAXGAWZABJHV-UHFFFAOYSA-N 1 0 389.725 2.255 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000101953672 643118933 /nfs/dbraw/zinc/11/89/33/643118933.db2.gz HSCNRHGYVISSEF-UHFFFAOYSA-N 1 0 398.301 2.021 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494886901 650818404 /nfs/dbraw/zinc/81/84/04/650818404.db2.gz BCIXXUZQLRLHOE-DOMZBBRYSA-N 1 0 395.301 2.171 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000102470724 643127127 /nfs/dbraw/zinc/12/71/27/643127127.db2.gz VFCDNINAHVBQFJ-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1ccc(I)cc1Cl ZINC000102789654 643139308 /nfs/dbraw/zinc/13/93/08/643139308.db2.gz CUDCFFZNSRIATC-UHFFFAOYSA-N 1 0 396.656 2.253 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000103116997 643153668 /nfs/dbraw/zinc/15/36/68/643153668.db2.gz XCNXHRAJYHZDHA-UHFFFAOYSA-N 1 0 388.331 2.137 20 0 GEADRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103123373 643154346 /nfs/dbraw/zinc/15/43/46/643154346.db2.gz PVOHYSXQNNNYNQ-UHFFFAOYSA-N 1 0 384.307 2.303 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000103231721 643159475 /nfs/dbraw/zinc/15/94/75/643159475.db2.gz MHRIKRHPTZELIT-UHFFFAOYSA-N 1 0 395.301 2.221 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000103449634 643166762 /nfs/dbraw/zinc/16/67/62/643166762.db2.gz IICUJLDPBJXCCS-UHFFFAOYSA-N 1 0 382.302 2.075 20 0 GEADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000494893982 650818938 /nfs/dbraw/zinc/81/89/38/650818938.db2.gz YEJFBYLKUMLVIB-BXUZGUMPSA-N 1 0 377.901 2.444 20 0 GEADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 ZINC000104129037 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GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000155071006 644063009 /nfs/dbraw/zinc/06/30/09/644063009.db2.gz WEGRQMLJPPCHOZ-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000155104074 644064059 /nfs/dbraw/zinc/06/40/59/644064059.db2.gz TZGNMGIEWYBKJF-CQSZACIVSA-N 1 0 396.329 2.369 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)nc1)Cc1ccccc1 ZINC000155113017 644065328 /nfs/dbraw/zinc/06/53/28/644065328.db2.gz XIUXMJYSTKCBAK-UHFFFAOYSA-N 1 0 391.269 2.031 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cccn2c(I)cnc12 ZINC000155416445 644070763 /nfs/dbraw/zinc/07/07/63/644070763.db2.gz VTXDVYYSKLIMAX-JTQLQIEISA-N 1 0 386.237 2.042 20 0 GEADRO CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000155428442 644071635 /nfs/dbraw/zinc/07/16/35/644071635.db2.gz COIVNCKBHWYQFI-UONOGXRCSA-N 1 0 383.587 2.291 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000155533090 644075226 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20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000162190785 644233429 /nfs/dbraw/zinc/23/34/29/644233429.db2.gz WFOWJIKSRDCQEW-JTQLQIEISA-N 1 0 392.275 2.120 20 0 GEADRO C[NH+](C)CCN(C(=O)C(=O)Nc1cccnc1Br)C1CCCC1 ZINC000162889556 644242763 /nfs/dbraw/zinc/24/27/63/644242763.db2.gz GGRDUCRCXFJPGE-UHFFFAOYSA-N 1 0 383.290 2.115 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2csc(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000162990219 644244174 /nfs/dbraw/zinc/24/41/74/644244174.db2.gz DFZOXWMZBZHCOV-HIFRSBDPSA-N 1 0 388.555 2.018 20 0 GEADRO Cc1c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000163116710 644248599 /nfs/dbraw/zinc/24/85/99/644248599.db2.gz ABQUSMRWPPZWTG-BZNIZROVSA-N 1 0 393.285 2.131 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000163780973 644258318 /nfs/dbraw/zinc/25/83/18/644258318.db2.gz KANKYDLJBWRQPS-QWRGUYRKSA-N 1 0 377.304 2.063 20 0 GEADRO COC1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000166103513 644272053 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CC(C)[C@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[NH+]1CCCCCC1 ZINC000173682063 644359983 /nfs/dbraw/zinc/35/99/83/644359983.db2.gz IYPNCKHUFOWDLX-INIZCTEOSA-N 1 0 375.579 2.400 20 0 GEADRO Cc1nc(SCCC(=O)NCC2([NH+]3CCSCC3)CCCCC2)n[nH]1 ZINC000174808650 644383734 /nfs/dbraw/zinc/38/37/34/644383734.db2.gz XVOFGXFHOJGRLN-UHFFFAOYSA-N 1 0 383.587 2.463 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000176694466 644404085 /nfs/dbraw/zinc/40/40/85/644404085.db2.gz UKEBGBACAXDRJP-CYBMUJFWSA-N 1 0 387.933 2.147 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1Cl ZINC000177558490 644417979 /nfs/dbraw/zinc/41/79/79/644417979.db2.gz NEYDKCWARWAFBZ-UONOGXRCSA-N 1 0 387.933 2.193 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000543680797 650919130 /nfs/dbraw/zinc/91/91/30/650919130.db2.gz QNUJRRPCFIJBIC-LLVKDONJSA-N 1 0 391.331 2.393 20 0 GEADRO O=C(CSCC(F)(F)F)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000543707232 650920856 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Cc1cc(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c(Cl)cc1F ZINC000181062167 644523001 /nfs/dbraw/zinc/52/30/01/644523001.db2.gz VXTGFVIFMITSND-UHFFFAOYSA-N 1 0 391.940 2.434 20 0 GEADRO CS[C@@H]1CN([C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)C[C@H]1[NH+](C)C ZINC000544128175 650934929 /nfs/dbraw/zinc/93/49/29/650934929.db2.gz GRBHUFFVOWVRSZ-RBSFLKMASA-N 1 0 375.460 2.079 20 0 GEADRO CS[C@@H]1CN([C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)C[C@@H]1[NH+](C)C ZINC000544128164 650935058 /nfs/dbraw/zinc/93/50/58/650935058.db2.gz GRBHUFFVOWVRSZ-QLFBSQMISA-N 1 0 375.460 2.079 20 0 GEADRO NC(=O)C[C@H]([NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000544460040 650942283 /nfs/dbraw/zinc/94/22/83/650942283.db2.gz XOPBCNHSKIUZRW-LFPIHBKWSA-N 1 0 393.336 2.361 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000544492856 650943455 /nfs/dbraw/zinc/94/34/55/650943455.db2.gz GQTLRZWPQOQWLN-UHFFFAOYSA-N 1 0 376.284 2.407 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000544669650 650949428 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CN(C(=O)c1cc(F)c(F)cc1I)C1CC[NH2+]CC1 ZINC000237098766 645422634 /nfs/dbraw/zinc/42/26/34/645422634.db2.gz JJMYQWKUIAQSGO-UHFFFAOYSA-N 1 0 380.176 2.393 20 0 GEADRO CNC(=O)CN1CCC([NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000237132240 645424122 /nfs/dbraw/zinc/42/41/22/645424122.db2.gz HKAKWMAYMQXQHO-UHFFFAOYSA-N 1 0 380.330 2.495 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000237123421 645424151 /nfs/dbraw/zinc/42/41/51/645424151.db2.gz AOQLNCULCRIAMK-LBPRGKRZSA-N 1 0 387.933 2.241 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237235733 645427487 /nfs/dbraw/zinc/42/74/87/645427487.db2.gz MPPCJEYCCALSHT-NXEZZACHSA-N 1 0 380.388 2.445 20 0 GEADRO CN(Cc1cccc(NC(=O)C[C@H]2CSCC[NH2+]2)c1)C(=O)C(F)(F)F ZINC000237229718 645427617 /nfs/dbraw/zinc/42/76/17/645427617.db2.gz GVJFGLHYLJLHLY-ZDUSSCGKSA-N 1 0 375.416 2.241 20 0 GEADRO COc1cc(C[NH2+]Cc2cc(Br)ccc2O)ccc1OCC(N)=O ZINC000237292530 645427737 /nfs/dbraw/zinc/42/77/37/645427737.db2.gz YCFYDXWGMVUAIY-UHFFFAOYSA-N 1 0 395.253 2.317 20 0 GEADRO COCC[NH2+]CCNC(=O)c1ccc(-c2ccc(Br)cc2)n1C ZINC000237336570 645428388 /nfs/dbraw/zinc/42/83/88/645428388.db2.gz MXOQVQASSGLHIA-UHFFFAOYSA-N 1 0 380.286 2.420 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000237347136 645429121 /nfs/dbraw/zinc/42/91/21/645429121.db2.gz FQHMMRVIUGGZBL-MNOVXSKESA-N 1 0 388.331 2.311 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000237403784 645430336 /nfs/dbraw/zinc/43/03/36/645430336.db2.gz OSGBHNVNCPRNLJ-JHJVBQTASA-N 1 0 380.286 2.140 20 0 GEADRO C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H]1C[NH3+] ZINC000237489753 645433976 /nfs/dbraw/zinc/43/39/76/645433976.db2.gz RZZNIGYMIRUUNB-IUODEOHRSA-N 1 0 382.302 2.155 20 0 GEADRO C[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccc(Br)cc1 ZINC000237490140 645434046 /nfs/dbraw/zinc/43/40/46/645434046.db2.gz SYUHGVVIKQGCMQ-NSHDSACASA-N 1 0 378.274 2.456 20 0 GEADRO 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[NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(F)c(Br)cc3F)C[C@@H]12 ZINC000248698532 645534009 /nfs/dbraw/zinc/53/40/09/645534009.db2.gz ZEMJLCVTGFUSHC-JOAULVNJSA-N 1 0 381.242 2.085 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248726527 645535280 /nfs/dbraw/zinc/53/52/80/645535280.db2.gz IKRWFWVDUDAFJE-VXGBXAGGSA-N 1 0 383.290 2.019 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC[N@@H+]1CC(C)(C)O ZINC000248754097 645537457 /nfs/dbraw/zinc/53/74/57/645537457.db2.gz PBZPPTBHTRXOTR-MLGOLLRUSA-N 1 0 397.313 2.056 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c(Br)c1 ZINC000248900901 645542790 /nfs/dbraw/zinc/54/27/90/645542790.db2.gz KUZJDUWNWQXUFO-QLFBSQMISA-N 1 0 399.329 2.438 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249341591 645553047 /nfs/dbraw/zinc/55/30/47/645553047.db2.gz JBDODQGNSKCWGF-XJKSGUPXSA-N 1 0 399.329 2.440 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000547315383 651022187 /nfs/dbraw/zinc/02/21/87/651022187.db2.gz OQEPDAJZOLLEEL-AWEZNQCLSA-N 1 0 380.286 2.420 20 0 GEADRO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249717098 645559080 /nfs/dbraw/zinc/55/90/80/645559080.db2.gz JHLYMDJLNHAAFQ-ZIAGYGMSSA-N 1 0 386.279 2.214 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249745134 645559670 /nfs/dbraw/zinc/55/96/70/645559670.db2.gz LTPJNZLTVGRWIX-LSDHHAIUSA-N 1 0 380.286 2.012 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000252692039 645567039 /nfs/dbraw/zinc/56/70/39/645567039.db2.gz ZTWPRROVBDAYGC-ZYHUDNBSSA-N 1 0 377.304 2.348 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(Br)c1 ZINC000261626804 645591517 /nfs/dbraw/zinc/59/15/17/645591517.db2.gz DXTLANULFCZRGY-MFKMUULPSA-N 1 0 377.304 2.348 20 0 GEADRO COCCOC[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261700017 645594518 /nfs/dbraw/zinc/59/45/18/645594518.db2.gz IGPBZIZAQVLUES-DYVFJYSZSA-N 1 0 385.302 2.135 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261706686 645595404 /nfs/dbraw/zinc/59/54/04/645595404.db2.gz IWTRSWVRTCLDIO-ZYHUDNBSSA-N 1 0 375.441 2.428 20 0 GEADRO CCCNC(=O)C1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261708461 645595495 /nfs/dbraw/zinc/59/54/95/645595495.db2.gz IXVFEISZORCFCF-SFHVURJKSA-N 1 0 396.329 2.388 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261775975 645598725 /nfs/dbraw/zinc/59/87/25/645598725.db2.gz FAUCVSAHCDQDLN-ZDUSSCGKSA-N 1 0 392.352 2.299 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261776330 645598743 /nfs/dbraw/zinc/59/87/43/645598743.db2.gz PETDWVFGDPVEMJ-BXKDBHETSA-N 1 0 379.707 2.475 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261775926 645598752 /nfs/dbraw/zinc/59/87/52/645598752.db2.gz OQBZETHJSAZMCN-OAHLLOKOSA-N 1 0 392.301 2.076 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)CC2=O)ccc1Br ZINC000261846433 645605038 /nfs/dbraw/zinc/60/50/38/645605038.db2.gz PSEWOAWVPVEDPO-MGPQQGTHSA-N 1 0 394.313 2.306 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000261847989 645605102 /nfs/dbraw/zinc/60/51/02/645605102.db2.gz PWQYZNDVDDWOMI-IINYFYTJSA-N 1 0 377.304 2.348 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@H](C[NH3+])C1 ZINC000261874870 645607992 /nfs/dbraw/zinc/60/79/92/645607992.db2.gz SSHIOXVZHQKBGB-RDBSUJKOSA-N 1 0 394.313 2.388 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)[C@H](C[NH3+])C1 ZINC000261874863 645608046 /nfs/dbraw/zinc/60/80/46/645608046.db2.gz SSHIOXVZHQKBGB-HZSPNIEDSA-N 1 0 394.313 2.388 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262002329 645615507 /nfs/dbraw/zinc/61/55/07/645615507.db2.gz GIFGJVWINQFRDX-CYBMUJFWSA-N 1 0 379.707 2.477 20 0 GEADRO COCC1(CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC[NH2+]CC1 ZINC000262109300 645617858 /nfs/dbraw/zinc/61/78/58/645617858.db2.gz WGGANUAJGTUOKN-UHFFFAOYSA-N 1 0 397.324 2.297 20 0 GEADRO CS(=O)(=O)Cc1nc(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)cs1 ZINC000262229808 645621309 /nfs/dbraw/zinc/62/13/09/645621309.db2.gz NTBFOTUMURIRFB-OAHLLOKOSA-N 1 0 385.942 2.488 20 0 GEADRO C[C@@H](NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000262240770 645621905 /nfs/dbraw/zinc/62/19/05/645621905.db2.gz RKUUGCWLDCQMOF-SECBINFHSA-N 1 0 397.299 2.477 20 0 GEADRO CC(C)COc1ccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1Cl ZINC000262272234 645623748 /nfs/dbraw/zinc/62/37/48/645623748.db2.gz VYOBMGSVMRKGJF-UHFFFAOYSA-N 1 0 388.917 2.480 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000262284414 645624483 /nfs/dbraw/zinc/62/44/83/645624483.db2.gz ZOCAUMSNAMRXAT-ZBFHGGJFSA-N 1 0 382.302 2.212 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000262587263 645638263 /nfs/dbraw/zinc/63/82/63/645638263.db2.gz PPDSISSTJLGPPW-GFCCVEGCSA-N 1 0 382.302 2.245 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000262587264 645638408 /nfs/dbraw/zinc/63/84/08/645638408.db2.gz PPDSISSTJLGPPW-LBPRGKRZSA-N 1 0 382.302 2.245 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000262587936 645638466 /nfs/dbraw/zinc/63/84/66/645638466.db2.gz XPABCAQMMLBRJC-GFCCVEGCSA-N 1 0 383.290 2.029 20 0 GEADRO CC(=O)N[C@H](CC(=O)N(C)CC(C)(C)C[NH3+])c1ccc(Br)cc1 ZINC000262583573 645638503 /nfs/dbraw/zinc/63/85/03/645638503.db2.gz MEKDVXAQXGAGSP-OAHLLOKOSA-N 1 0 384.318 2.460 20 0 GEADRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000262599279 645639191 /nfs/dbraw/zinc/63/91/91/645639191.db2.gz XMVHTOQXDVGXFQ-MRXNPFEDSA-N 1 0 395.301 2.371 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000262592604 645639208 /nfs/dbraw/zinc/63/92/08/645639208.db2.gz SFDPCMAVNSEVCH-NILFDRSVSA-N 1 0 380.286 2.046 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000262592602 645639254 /nfs/dbraw/zinc/63/92/54/645639254.db2.gz SFDPCMAVNSEVCH-GLQYFDAESA-N 1 0 380.286 2.046 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)C1 ZINC000262626070 645641099 /nfs/dbraw/zinc/64/10/99/645641099.db2.gz LNDUXKLGUULVAB-OUAUKWLOSA-N 1 0 388.331 2.215 20 0 GEADRO Cc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1S(=O)(=O)NC(C)(C)C ZINC000262740875 645643829 /nfs/dbraw/zinc/64/38/29/645643829.db2.gz DSEFIACMHDFKLA-AWEZNQCLSA-N 1 0 385.555 2.105 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)NCC[N@H+](C)C2CCCC2)ccc1Cl ZINC000264236300 645672377 /nfs/dbraw/zinc/67/23/77/645672377.db2.gz YYWMQQRNAYRMHP-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CC(C)(C)[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000264382760 645681745 /nfs/dbraw/zinc/68/17/45/645681745.db2.gz OYKWGGVWKRTWEN-MRXNPFEDSA-N 1 0 398.345 2.412 20 0 GEADRO CC(C)(C)[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000264382758 645681764 /nfs/dbraw/zinc/68/17/64/645681764.db2.gz OYKWGGVWKRTWEN-INIZCTEOSA-N 1 0 398.345 2.412 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000264504987 645686809 /nfs/dbraw/zinc/68/68/09/645686809.db2.gz KTCSXVFUXLXRQG-OAHLLOKOSA-N 1 0 393.285 2.000 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000264506653 645686842 /nfs/dbraw/zinc/68/68/42/645686842.db2.gz LBCDHBFOIWWTRA-BXUZGUMPSA-N 1 0 388.295 2.217 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CSc1nc2ccccc2s1 ZINC000264592533 645694564 /nfs/dbraw/zinc/69/45/64/645694564.db2.gz AZTLKCCUELDJJZ-UHFFFAOYSA-N 1 0 378.567 2.484 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000264714705 645706156 /nfs/dbraw/zinc/70/61/56/645706156.db2.gz GEEYKEFMJDXCQR-NSHDSACASA-N 1 0 383.265 2.045 20 0 GEADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000264808553 645720652 /nfs/dbraw/zinc/72/06/52/645720652.db2.gz BFFXBKJIIRNVDE-UHFFFAOYSA-N 1 0 384.479 2.004 20 0 GEADRO COc1cc(CNC(=O)NCC[N@H+](C)C2CC2)cc(Br)c1OC ZINC000264851382 645722709 /nfs/dbraw/zinc/72/27/09/645722709.db2.gz LOVYBVXXZPBTTB-UHFFFAOYSA-N 1 0 386.290 2.360 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)[NH+](C)C ZINC000265114304 645744105 /nfs/dbraw/zinc/74/41/05/645744105.db2.gz SVMBVDJIDZGUSV-SECBINFHSA-N 1 0 381.782 2.286 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1SCCc2sccc21 ZINC000266323481 645839687 /nfs/dbraw/zinc/83/96/87/645839687.db2.gz XAPPPRDBEDNNOM-ZBFHGGJFSA-N 1 0 381.567 2.137 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000266536125 645848233 /nfs/dbraw/zinc/84/82/33/645848233.db2.gz KTUBCHNVUALFPK-QMMMGPOBSA-N 1 0 378.217 2.122 20 0 GEADRO Cc1nsc(N2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)n1 ZINC000266581314 645851508 /nfs/dbraw/zinc/85/15/08/645851508.db2.gz MOJQKUDBUAQEDR-OAHLLOKOSA-N 1 0 382.917 2.452 20 0 GEADRO O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266659926 645856686 /nfs/dbraw/zinc/85/66/86/645856686.db2.gz HMWMENGQJLDRMV-LBPRGKRZSA-N 1 0 386.279 2.113 20 0 GEADRO C[C@@H](CNC(=O)NCc1csc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000266672900 645857932 /nfs/dbraw/zinc/85/79/32/645857932.db2.gz BBXIDMOXMXLVTL-LBPRGKRZSA-N 1 0 389.363 2.193 20 0 GEADRO CC[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000266684073 645858938 /nfs/dbraw/zinc/85/89/38/645858938.db2.gz AGYRMFYBZKBNQR-JTQLQIEISA-N 1 0 380.436 2.369 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000267187886 645887579 /nfs/dbraw/zinc/88/75/79/645887579.db2.gz LTWJRKGFHCSDLG-LBPRGKRZSA-N 1 0 390.527 2.038 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(SC(F)F)cc2)CCSC1 ZINC000267230608 645889895 /nfs/dbraw/zinc/88/98/95/645889895.db2.gz AIRJEQHDXJPYBW-MRXNPFEDSA-N 1 0 389.493 2.493 20 0 GEADRO Cc1ccc(NC(=O)CSCC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000267382813 645898720 /nfs/dbraw/zinc/89/87/20/645898720.db2.gz ZKKGHFGUTMICBZ-SFHVURJKSA-N 1 0 381.567 2.220 20 0 GEADRO CN(C)C(=O)Sc1cccc(CN2CCCC[C@H]2CNS(C)(=O)=O)c1 ZINC000267671483 645915379 /nfs/dbraw/zinc/91/53/79/645915379.db2.gz ZHTARPRPWYRXPH-HNNXBMFYSA-N 1 0 385.555 2.364 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000267909903 645933754 /nfs/dbraw/zinc/93/37/54/645933754.db2.gz OCEGMIZIKTXTNL-ZDUSSCGKSA-N 1 0 387.933 2.473 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000267913035 645934586 /nfs/dbraw/zinc/93/45/86/645934586.db2.gz FCIIHLWSDIASAN-UHFFFAOYSA-N 1 0 376.245 2.047 20 0 GEADRO Cc1nc(C)c(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000268111746 645944999 /nfs/dbraw/zinc/94/49/99/645944999.db2.gz GUBUINCZSPVCGW-UHFFFAOYSA-N 1 0 382.555 2.176 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000268137428 645947353 /nfs/dbraw/zinc/94/73/53/645947353.db2.gz DRXHOBOVUYPCFW-ZANVPECISA-N 1 0 384.249 2.126 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(Br)c1 ZINC000268200696 645952486 /nfs/dbraw/zinc/95/24/86/645952486.db2.gz RDLDVVJNDWRHKF-XHDPSFHLSA-N 1 0 380.286 2.295 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000268216178 645954579 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CSCC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000269095984 646014947 /nfs/dbraw/zinc/01/49/47/646014947.db2.gz MFWAWCJDIDPORD-AAEUAGOBSA-N 1 0 375.416 2.007 20 0 GEADRO O=C(Nc1ccc(Br)nc1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269136122 646018729 /nfs/dbraw/zinc/01/87/29/646018729.db2.gz MQSDYJCIAXRVCO-KGLIPLIRSA-N 1 0 383.290 2.343 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000269187559 646020904 /nfs/dbraw/zinc/02/09/04/646020904.db2.gz GGKRIZCHFBZJCD-DAXOMENPSA-N 1 0 394.313 2.249 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000269199845 646022152 /nfs/dbraw/zinc/02/21/52/646022152.db2.gz KDHCAMLCFQELQZ-BXUZGUMPSA-N 1 0 387.933 2.226 20 0 GEADRO C[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000269237610 646023656 /nfs/dbraw/zinc/02/36/56/646023656.db2.gz WXJYUXQENOVEAY-HEHGZKQESA-N 1 0 394.313 2.306 20 0 GEADRO CN(Cc1cn(C)nc1C(F)(F)F)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000269671959 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CC1(C)NC(=O)N(CC[NH2+][C@H]2CCOc3c(Br)cccc32)C1=O ZINC000282092264 646813564 /nfs/dbraw/zinc/81/35/64/646813564.db2.gz OTBTVUDGQBRZLA-LBPRGKRZSA-N 1 0 382.258 2.193 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000282171935 646817900 /nfs/dbraw/zinc/81/79/00/646817900.db2.gz VEXJGNCAGIJWOJ-UHFFFAOYSA-N 1 0 394.317 2.083 20 0 GEADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000282187648 646819108 /nfs/dbraw/zinc/81/91/08/646819108.db2.gz ZXPIIZRBBSFNMJ-NSHDSACASA-N 1 0 390.531 2.004 20 0 GEADRO COC(=O)c1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c(Br)c1 ZINC000284228740 646836621 /nfs/dbraw/zinc/83/66/21/646836621.db2.gz DFYIHKLXBZJGLX-UHFFFAOYSA-N 1 0 381.270 2.338 20 0 GEADRO Cn1c2ccc(Cl)cc2nc1CN[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000285602745 646858665 /nfs/dbraw/zinc/85/86/65/646858665.db2.gz WUCPJAFZETYXES-CYBMUJFWSA-N 1 0 382.917 2.273 20 0 GEADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)CC(N)=O)C1=O ZINC000285628758 646859137 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CS[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000287521799 646890121 /nfs/dbraw/zinc/89/01/21/646890121.db2.gz VNAHDXUYMLKSBH-QWHCGFSZSA-N 1 0 379.910 2.074 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ncc1Br ZINC000288324271 646911622 /nfs/dbraw/zinc/91/16/22/646911622.db2.gz XUJBIQSQVGJCCZ-OCCSQVGLSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000288328880 646912288 /nfs/dbraw/zinc/91/22/88/646912288.db2.gz JGRFRTRIGLGCOE-CHWSQXEVSA-N 1 0 377.539 2.381 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccccc1Br ZINC000288337083 646913198 /nfs/dbraw/zinc/91/31/98/646913198.db2.gz YLMNGSFMUOGLGN-IUODEOHRSA-N 1 0 380.286 2.473 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])C2)s1 ZINC000292148526 647181170 /nfs/dbraw/zinc/18/11/70/647181170.db2.gz UDOBIIKWFHXHLE-DZGCQCFKSA-N 1 0 387.571 2.091 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000292148493 647181178 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O=C(Cc1cscc1Br)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000293718452 647218781 /nfs/dbraw/zinc/21/87/81/647218781.db2.gz OAYHKUKKNLDQRL-CYBMUJFWSA-N 1 0 375.332 2.406 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000294881555 647225478 /nfs/dbraw/zinc/22/54/78/647225478.db2.gz DMQLSPYHLDVYTK-SUMWQHHRSA-N 1 0 388.339 2.417 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000294933247 647226981 /nfs/dbraw/zinc/22/69/81/647226981.db2.gz BGWROPFZZDKAOK-QMTHXVAHSA-N 1 0 391.306 2.447 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000297826282 647264829 /nfs/dbraw/zinc/26/48/29/647264829.db2.gz TURGYUSGSGTENX-UHFFFAOYSA-N 1 0 396.329 2.003 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000297972428 647268965 /nfs/dbraw/zinc/26/89/65/647268965.db2.gz MBDYXULVNFOZFZ-JTQLQIEISA-N 1 0 382.262 2.248 20 0 GEADRO CC[NH+](CC)CCN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000299684593 647274439 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CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1 ZINC000329136579 647319262 /nfs/dbraw/zinc/31/92/62/647319262.db2.gz RCFLKVQZAMIQTE-ZDUSSCGKSA-N 1 0 385.921 2.044 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000330976580 647361843 /nfs/dbraw/zinc/36/18/43/647361843.db2.gz CYGCQZBKIBFQFQ-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H]1CO ZINC000331259156 647374280 /nfs/dbraw/zinc/37/42/80/647374280.db2.gz HJJSWKKSIYQDMN-DJSGYFEHSA-N 1 0 376.266 2.421 20 0 GEADRO CC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000331299496 647377966 /nfs/dbraw/zinc/37/79/66/647377966.db2.gz DKPZGCNWQVFIJA-QGZVFWFLSA-N 1 0 383.286 2.440 20 0 GEADRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000331354215 647381329 /nfs/dbraw/zinc/38/13/29/647381329.db2.gz PLJSZKNSKUCDLC-IFMYKAFSSA-N 1 0 378.947 2.157 20 0 GEADRO CC1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)CC1 ZINC000331476679 647386132 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CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@@H](SC)C1 ZINC000410853706 648017008 /nfs/dbraw/zinc/01/70/08/648017008.db2.gz QGIYIJIWBYSTEO-CYBMUJFWSA-N 1 0 383.480 2.073 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000411669031 648030110 /nfs/dbraw/zinc/03/01/10/648030110.db2.gz PZPNYEXTAZQRKU-ZDUSSCGKSA-N 1 0 383.334 2.484 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000411675956 648030400 /nfs/dbraw/zinc/03/04/00/648030400.db2.gz QWTNLVVJTXTVRA-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000411677481 648030487 /nfs/dbraw/zinc/03/04/87/648030487.db2.gz SOFOCEVIBDOHNN-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO Cc1nc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(Br)s1 ZINC000412214444 648044881 /nfs/dbraw/zinc/04/48/81/648044881.db2.gz KLQXVFJVADYZAD-LLVKDONJSA-N 1 0 376.320 2.181 20 0 GEADRO Cc1cc(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)ccc1Br ZINC000412319376 648048475 /nfs/dbraw/zinc/04/84/75/648048475.db2.gz ILKJMGJVBYYBDH-CQSZACIVSA-N 1 0 396.329 2.478 20 0 GEADRO C[C@@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000412463998 648049607 /nfs/dbraw/zinc/04/96/07/648049607.db2.gz OCFFWLVCXJZUOI-CQSZACIVSA-N 1 0 385.961 2.418 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413042053 648058521 /nfs/dbraw/zinc/05/85/21/648058521.db2.gz KHMPEFGJTXCCTH-JSGCOSHPSA-N 1 0 398.301 2.256 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000413637329 648077245 /nfs/dbraw/zinc/07/72/45/648077245.db2.gz HEASDIMERYKRIR-OAHLLOKOSA-N 1 0 387.933 2.369 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000413647295 648078926 /nfs/dbraw/zinc/07/89/26/648078926.db2.gz YJOMGVCLMNKNIU-UHFFFAOYSA-N 1 0 387.933 2.369 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CC[N@H+](C)C1 ZINC000413919549 648085627 /nfs/dbraw/zinc/08/56/27/648085627.db2.gz MPFCHJQQIAXLLS-NSHDSACASA-N 1 0 389.315 2.006 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413922945 648086428 /nfs/dbraw/zinc/08/64/28/648086428.db2.gz QOQQDWDOMAZVQJ-ZDUSSCGKSA-N 1 0 397.313 2.290 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCN2CCc3ccccc3C2)cc1Cl ZINC000414277061 648089333 /nfs/dbraw/zinc/08/93/33/648089333.db2.gz YVRNUUNCDWHMHX-UHFFFAOYSA-N 1 0 379.913 2.135 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)nn1 ZINC000414349439 648098360 /nfs/dbraw/zinc/09/83/60/648098360.db2.gz JZPAGMBLISIMAG-ZDUSSCGKSA-N 1 0 396.264 2.336 20 0 GEADRO CO[C@@H]1CCN(C(=O)Nc2cccc(I)c2)[C@H](C[NH3+])C1 ZINC000414694028 648100208 /nfs/dbraw/zinc/10/02/08/648100208.db2.gz NJRAVANFOCNJCA-QWHCGFSZSA-N 1 0 389.237 2.261 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000414720273 648101988 /nfs/dbraw/zinc/10/19/88/648101988.db2.gz YBKWKSYSINUVFE-CYBMUJFWSA-N 1 0 388.921 2.326 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415416346 648103696 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COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415468587 648105467 /nfs/dbraw/zinc/10/54/67/648105467.db2.gz KHEJALJENCNMDZ-OQPBUACISA-N 1 0 386.221 2.200 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415473471 648105831 /nfs/dbraw/zinc/10/58/31/648105831.db2.gz FNFLGKDXBLMNDD-UHFFFAOYSA-N 1 0 378.217 2.300 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415477071 648106486 /nfs/dbraw/zinc/10/64/86/648106486.db2.gz DLJOVBCAGCWZTN-PWSUYJOCSA-N 1 0 379.262 2.279 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415583254 648106844 /nfs/dbraw/zinc/10/68/44/648106844.db2.gz VORSOFVWAUFCFS-ZJUUUORDSA-N 1 0 375.416 2.317 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccnn1[C@@H](C)c1cc(Cl)ccc1Cl ZINC000415604309 648110244 /nfs/dbraw/zinc/11/02/44/648110244.db2.gz VQDHBSKUEHBEIA-ZJUUUORDSA-N 1 0 384.267 2.201 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415630332 648111738 /nfs/dbraw/zinc/11/17/38/648111738.db2.gz KMISQWSKIKSTIS-AOOOYVTPSA-N 1 0 386.677 2.394 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)[C@H](C)C1 ZINC000416411391 648116815 /nfs/dbraw/zinc/11/68/15/648116815.db2.gz ZOTIVAULPRZBMG-TZMCWYRMSA-N 1 0 388.917 2.477 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1Cl ZINC000416426991 648124585 /nfs/dbraw/zinc/12/45/85/648124585.db2.gz OHCLFVNJGCEJCG-GFCCVEGCSA-N 1 0 382.869 2.436 20 0 GEADRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000416467901 648135215 /nfs/dbraw/zinc/13/52/15/648135215.db2.gz WVWHMHHVKAMWCI-UHFFFAOYSA-N 1 0 396.619 2.164 20 0 GEADRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000416471474 648137170 /nfs/dbraw/zinc/13/71/70/648137170.db2.gz KNCKQURTKCJVFX-UHFFFAOYSA-N 1 0 396.619 2.116 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416484675 648144033 /nfs/dbraw/zinc/14/40/33/648144033.db2.gz VPZAFHDUHLWFAH-LBPRGKRZSA-N 1 0 389.949 2.407 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000416486786 648144670 /nfs/dbraw/zinc/14/46/70/648144670.db2.gz JQCIZSLEKGXCFI-STQMWFEESA-N 1 0 386.901 2.374 20 0 GEADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000416497176 648149578 /nfs/dbraw/zinc/14/95/78/648149578.db2.gz SEOXHBQBQAMGHW-MRVPVSSYSA-N 1 0 385.686 2.472 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cn1 ZINC000416511462 648154466 /nfs/dbraw/zinc/15/44/66/648154466.db2.gz XKBPZUOKCITETJ-UHFFFAOYSA-N 1 0 386.905 2.153 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000416553057 648169388 /nfs/dbraw/zinc/16/93/88/648169388.db2.gz BZGAYDIYUFYWNJ-UHFFFAOYSA-N 1 0 381.479 2.347 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c(C)o1 ZINC000416555347 648169810 /nfs/dbraw/zinc/16/98/10/648169810.db2.gz KSTAXPOBDXNULI-UHFFFAOYSA-N 1 0 386.495 2.189 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000416558665 648171571 /nfs/dbraw/zinc/17/15/71/648171571.db2.gz PLCWQBPDVBYWHF-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000416559480 648171641 /nfs/dbraw/zinc/17/16/41/648171641.db2.gz QOQOKRWIPFYETM-LBPRGKRZSA-N 1 0 381.420 2.033 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000416823604 648213152 /nfs/dbraw/zinc/21/31/52/648213152.db2.gz HHZGQGYAUXUIDO-YPMHNXCESA-N 1 0 383.290 2.123 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000416823360 648213277 /nfs/dbraw/zinc/21/32/77/648213277.db2.gz HCXSSYIIOSSHOH-CHWSQXEVSA-N 1 0 397.317 2.383 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000416924278 648216867 /nfs/dbraw/zinc/21/68/67/648216867.db2.gz WUOSOSAARHYIRY-CYBMUJFWSA-N 1 0 390.575 2.095 20 0 GEADRO C[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417188770 648229713 /nfs/dbraw/zinc/22/97/13/648229713.db2.gz XYUDQFDGQPJVAJ-WDEREUQCSA-N 1 0 384.274 2.414 20 0 GEADRO O=C(CCNC(=O)NCC[C@H]1CCC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000417207684 648232010 /nfs/dbraw/zinc/23/20/10/648232010.db2.gz AGKBWHQFORSXMC-CYBMUJFWSA-N 1 0 397.317 2.467 20 0 GEADRO O=C(NCc1cn2cc(Br)ccc2n1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417219541 648233614 /nfs/dbraw/zinc/23/36/14/648233614.db2.gz MKBYEJAXWCIBKP-YRGRVCCFSA-N 1 0 392.301 2.284 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000417220053 648233627 /nfs/dbraw/zinc/23/36/27/648233627.db2.gz KOFFXAXLNGEVRH-UHFFFAOYSA-N 1 0 387.933 2.145 20 0 GEADRO C[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)[C@H](C[NH3+])C1 ZINC000417219103 648233837 /nfs/dbraw/zinc/23/38/37/648233837.db2.gz MENXTIATPCNTLT-FZMZJTMJSA-N 1 0 380.290 2.366 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417228608 648235033 /nfs/dbraw/zinc/23/50/33/648235033.db2.gz RUQJKUMNPFIMFG-NWDGAFQWSA-N 1 0 383.290 2.170 20 0 GEADRO CN(C(=O)NCc1cn2cc(Br)ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000417229093 648235140 /nfs/dbraw/zinc/23/51/40/648235140.db2.gz XAHFGYSOSPGIHZ-AWEZNQCLSA-N 1 0 380.290 2.380 20 0 GEADRO C[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000417231658 648235655 /nfs/dbraw/zinc/23/56/55/648235655.db2.gz ZAIBRDASUMVEDP-BXUZGUMPSA-N 1 0 383.290 2.156 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417258430 648236836 /nfs/dbraw/zinc/23/68/36/648236836.db2.gz FJUSQGGUXYDCSW-ZFWWWQNUSA-N 1 0 381.318 2.279 20 0 GEADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC[C@@H]1CCC[NH2+]1 ZINC000417257303 648236994 /nfs/dbraw/zinc/23/69/94/648236994.db2.gz CDJVIQNKFPRRHM-HIFRSBDPSA-N 1 0 381.318 2.327 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417258388 648237029 /nfs/dbraw/zinc/23/70/29/648237029.db2.gz FCVZKXCPRFTQFQ-KGLIPLIRSA-N 1 0 381.318 2.266 20 0 GEADRO CO[C@H]1CCN(C(=O)NCCc2cc(Br)ccc2F)[C@H](C[NH3+])C1 ZINC000417295507 648237883 /nfs/dbraw/zinc/23/78/83/648237883.db2.gz KJSZUFPUOUIRFP-KBPBESRZSA-N 1 0 388.281 2.278 20 0 GEADRO O=C(NCCc1cc(Br)ccc1F)N[C@H]1C[NH2+]CCC1(F)F ZINC000417296771 648238237 /nfs/dbraw/zinc/23/82/37/648238237.db2.gz MPJKMWNOTGPCNO-LBPRGKRZSA-N 1 0 380.208 2.427 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417301306 648238607 /nfs/dbraw/zinc/23/86/07/648238607.db2.gz PKJIURXCGVJEAU-GXFFZTMASA-N 1 0 384.274 2.018 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417298270 648238619 /nfs/dbraw/zinc/23/86/19/648238619.db2.gz KSDGHFOQOMNDNZ-DGCLKSJQSA-N 1 0 398.301 2.489 20 0 GEADRO O=C(NCCc1ccccc1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417314631 648239153 /nfs/dbraw/zinc/23/91/53/648239153.db2.gz ZIRFDAIPZHIHLS-CQSZACIVSA-N 1 0 378.826 2.018 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000417364584 648240410 /nfs/dbraw/zinc/24/04/10/648240410.db2.gz HOWOUADHBWKKFQ-CHWSQXEVSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000417364564 648240414 /nfs/dbraw/zinc/24/04/14/648240414.db2.gz HLDCXZAEEYYAGW-JSGCOSHPSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCC(C[NH3+])CC1 ZINC000417363141 648240493 /nfs/dbraw/zinc/24/04/93/648240493.db2.gz FNFXXOKVGHUXDL-UHFFFAOYSA-N 1 0 397.317 2.466 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417368230 648240920 /nfs/dbraw/zinc/24/09/20/648240920.db2.gz NUMQUPBMIIXPLU-CYBMUJFWSA-N 1 0 397.317 2.385 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc(Br)c1OC ZINC000417379901 648242465 /nfs/dbraw/zinc/24/24/65/648242465.db2.gz TZNAXIVVEZYJRF-ZWNOBZJWSA-N 1 0 386.290 2.264 20 0 GEADRO COc1cc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000417379515 648242506 /nfs/dbraw/zinc/24/25/06/648242506.db2.gz STUZLBOCTFNRHA-LLVKDONJSA-N 1 0 386.290 2.265 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417418600 648243875 /nfs/dbraw/zinc/24/38/75/648243875.db2.gz DTDJLHYTRKAIPJ-OAHLLOKOSA-N 1 0 399.333 2.242 20 0 GEADRO C[NH2+]CCCNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417428790 648244315 /nfs/dbraw/zinc/24/43/15/648244315.db2.gz LYMNYEQZWZVHMZ-UHFFFAOYSA-N 1 0 384.318 2.406 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)C(C)(C)C ZINC000417426673 648244409 /nfs/dbraw/zinc/24/44/09/648244409.db2.gz HCMLIPUCQPDHIM-CYBMUJFWSA-N 1 0 388.559 2.102 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417436492 648245521 /nfs/dbraw/zinc/24/55/21/648245521.db2.gz OTBHRGDVENJOAO-ZDUSSCGKSA-N 1 0 399.333 2.386 20 0 GEADRO CCC[NH2+]CCNC(=O)NCCc1ccc(I)s1 ZINC000417439606 648246403 /nfs/dbraw/zinc/24/64/03/648246403.db2.gz MGCIMIYMPQXIRP-UHFFFAOYSA-N 1 0 381.283 2.194 20 0 GEADRO CC1(C)CN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000417477800 648248137 /nfs/dbraw/zinc/24/81/37/648248137.db2.gz HHUHPEADQJMYOW-AWEZNQCLSA-N 1 0 381.318 2.421 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)C(F)F ZINC000417478032 648248257 /nfs/dbraw/zinc/24/82/57/648248257.db2.gz HSONAPIDAROHPX-YPMHNXCESA-N 1 0 391.260 2.310 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C[NH2+]1 ZINC000417482712 648249017 /nfs/dbraw/zinc/24/90/17/648249017.db2.gz QAKBNNANGODLOB-NFAWXSAZSA-N 1 0 381.318 2.420 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000417490683 648249815 /nfs/dbraw/zinc/24/98/15/648249815.db2.gz SAUYSRCOVXGUPB-IUODEOHRSA-N 1 0 397.317 2.009 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417494234 648250411 /nfs/dbraw/zinc/25/04/11/648250411.db2.gz XIZCOTOXGSZISN-LBPRGKRZSA-N 1 0 383.290 2.089 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417599717 648255169 /nfs/dbraw/zinc/25/51/69/648255169.db2.gz IDKMMQRKGOUAKS-KGLIPLIRSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417604939 648256018 /nfs/dbraw/zinc/25/60/18/648256018.db2.gz WJRPFFVJJBHFGJ-MCIONIFRSA-N 1 0 381.318 2.407 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417604852 648256029 /nfs/dbraw/zinc/25/60/29/648256029.db2.gz VVLIZZKGHNVZIO-AWEZNQCLSA-N 1 0 381.318 2.469 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C(F)F ZINC000417604228 648256058 /nfs/dbraw/zinc/25/60/58/648256058.db2.gz UELAVMOBRDYUSO-ZYHUDNBSSA-N 1 0 391.260 2.310 20 0 GEADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417604894 648256082 /nfs/dbraw/zinc/25/60/82/648256082.db2.gz WDDSCVICPXNJAB-WWGRRREGSA-N 1 0 379.302 2.031 20 0 GEADRO CC(C)(CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000417656022 648257582 /nfs/dbraw/zinc/25/75/82/648257582.db2.gz WBHJLXOCODHWLJ-LBPRGKRZSA-N 1 0 378.464 2.161 20 0 GEADRO [NH3+]CCN(CCO)C(=O)NCCCCSc1ccccc1Br ZINC000417682246 648258026 /nfs/dbraw/zinc/25/80/26/648258026.db2.gz KXFCMMOIMBGYAV-UHFFFAOYSA-N 1 0 390.347 2.284 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417720072 648259060 /nfs/dbraw/zinc/25/90/60/648259060.db2.gz DJCMGNYJSWPMPY-MFKMUULPSA-N 1 0 393.289 2.031 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417874723 648264062 /nfs/dbraw/zinc/26/40/62/648264062.db2.gz NHYKHJZCDNWNHR-MNOVXSKESA-N 1 0 379.814 2.369 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCO1 ZINC000417879410 648264163 /nfs/dbraw/zinc/26/41/63/648264163.db2.gz PPRHEYKHBSITRR-JTQLQIEISA-N 1 0 384.210 2.464 20 0 GEADRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)CO1 ZINC000417889886 648265164 /nfs/dbraw/zinc/26/51/64/648265164.db2.gz AWEZXVFAPRFWLW-CHWSQXEVSA-N 1 0 391.249 2.188 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417937856 648266617 /nfs/dbraw/zinc/26/66/17/648266617.db2.gz HYHSCHKNPPFESC-RISCZKNCSA-N 1 0 388.281 2.278 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418012572 648269538 /nfs/dbraw/zinc/26/95/38/648269538.db2.gz VXOKXMAMYDDSMV-XHDPSFHLSA-N 1 0 385.295 2.492 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)nc12 ZINC000418015484 648269830 /nfs/dbraw/zinc/26/98/30/648269830.db2.gz DRJGYLQKXFOVCU-QMTHXVAHSA-N 1 0 380.290 2.202 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)N(C)[C@H](C)C[NH3+])C2=O)ccc1Br ZINC000418018702 648270987 /nfs/dbraw/zinc/27/09/87/648270987.db2.gz VNHKJMCFVBWNMW-DOMZBBRYSA-N 1 0 397.317 2.242 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000418024955 648271773 /nfs/dbraw/zinc/27/17/73/648271773.db2.gz NIXKDQZWUQCALM-CQSZACIVSA-N 1 0 380.290 2.299 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000418058578 648274189 /nfs/dbraw/zinc/27/41/89/648274189.db2.gz QLLPMXZHMAJJTN-GFCCVEGCSA-N 1 0 391.331 2.193 20 0 GEADRO CCn1c(CNC(=O)N(C)C2CC([NH3+])C2)nc2cc(Br)ccc21 ZINC000418065067 648274416 /nfs/dbraw/zinc/27/44/16/648274416.db2.gz KQJAEKGSCGAALV-UHFFFAOYSA-N 1 0 380.290 2.450 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000418071122 648275135 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C[C@@H](CCc1ccc(I)cc1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418117297 648281917 /nfs/dbraw/zinc/28/19/17/648281917.db2.gz SFWQYXQIQRRQGC-SMDDNHRTSA-N 1 0 387.265 2.273 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1I ZINC000418143044 648284526 /nfs/dbraw/zinc/28/45/26/648284526.db2.gz OJKLKIYCUOYEFZ-DGCLKSJQSA-N 1 0 387.265 2.478 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1I ZINC000418144489 648284606 /nfs/dbraw/zinc/28/46/06/648284606.db2.gz UFKSOLUWWBZNEH-DZGCQCFKSA-N 1 0 399.276 2.493 20 0 GEADRO Cc1cc(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)ccc1I ZINC000418144963 648285011 /nfs/dbraw/zinc/28/50/11/648285011.db2.gz WBKYJSGYMUZAJI-VXGBXAGGSA-N 1 0 387.265 2.491 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1I ZINC000418144684 648285148 /nfs/dbraw/zinc/28/51/48/648285148.db2.gz UPPVSKJIIQIYHW-RYUDHWBXSA-N 1 0 387.265 2.491 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NCCOc1ccc(I)cc1 ZINC000418154828 648285542 /nfs/dbraw/zinc/28/55/42/648285542.db2.gz KIVJVPDCIXMIOY-LLVKDONJSA-N 1 0 391.253 2.097 20 0 GEADRO O=C(NCc1ccc(I)c(Cl)c1)N[C@H]1CC[NH2+]C1 ZINC000418157684 648286054 /nfs/dbraw/zinc/28/60/54/648286054.db2.gz MZFAHGAMVIJZQH-VIFPVBQESA-N 1 0 379.629 2.106 20 0 GEADRO COC[C@]1(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCC[NH2+]1 ZINC000418166967 648286316 /nfs/dbraw/zinc/28/63/16/648286316.db2.gz UXXVBWBDNACJHX-RHSMWYFYSA-N 1 0 398.301 2.341 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)C1 ZINC000418226369 648288052 /nfs/dbraw/zinc/28/80/52/648288052.db2.gz YUFDIDJKOOOMNI-DGCLKSJQSA-N 1 0 384.933 2.275 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418229685 648288592 /nfs/dbraw/zinc/28/85/92/648288592.db2.gz HZSXSIICRVPYLY-ZDUSSCGKSA-N 1 0 375.922 2.321 20 0 GEADRO [NH3+]C1(CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000418230460 648288650 /nfs/dbraw/zinc/28/86/50/648288650.db2.gz JHIABJAVTLLGJT-UHFFFAOYSA-N 1 0 387.933 2.465 20 0 GEADRO [NH3+]CCNC(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000418292326 648291250 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C[C@H](NC(=O)NC[C@H](CO)Cc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000418331037 648293290 /nfs/dbraw/zinc/29/32/90/648293290.db2.gz CHOQNIFDPDOINK-LZWOXQAQSA-N 1 0 398.345 2.287 20 0 GEADRO CC[NH2+]CCNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000418328556 648293390 /nfs/dbraw/zinc/29/33/90/648293390.db2.gz SPAAQPZHDJVRIP-UHFFFAOYSA-N 1 0 379.814 2.195 20 0 GEADRO C[C@H](NC(=O)N(CCO)Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418335779 648293830 /nfs/dbraw/zinc/29/38/30/648293830.db2.gz HRCAFPKBLAXNTQ-ZFWWWQNUSA-N 1 0 384.318 2.341 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418359526 648294367 /nfs/dbraw/zinc/29/43/67/648294367.db2.gz FIURSGNPUFXZTE-OAHLLOKOSA-N 1 0 399.308 2.167 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418355683 648294434 /nfs/dbraw/zinc/29/44/34/648294434.db2.gz XDEOSBQIMIFCMF-OLZOCXBDSA-N 1 0 390.311 2.422 20 0 GEADRO C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418354982 648294482 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CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000418482481 648297881 /nfs/dbraw/zinc/29/78/81/648297881.db2.gz DWBBRCOXWCFWTL-QGZVFWFLSA-N 1 0 395.345 2.447 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418485290 648297901 /nfs/dbraw/zinc/29/79/01/648297901.db2.gz GVBKYADRVIUDBU-LBPRGKRZSA-N 1 0 397.317 2.404 20 0 GEADRO O=C(NCC1C[NH2+]C1)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418494610 648298355 /nfs/dbraw/zinc/29/83/55/648298355.db2.gz YKQDEDNIJMZPAE-GFCCVEGCSA-N 1 0 396.207 2.020 20 0 GEADRO [NH3+]CCCCNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418505051 648298827 /nfs/dbraw/zinc/29/88/27/648298827.db2.gz CAEYURRUBQYLJX-UHFFFAOYSA-N 1 0 375.336 2.077 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000418513716 648299502 /nfs/dbraw/zinc/29/95/02/648299502.db2.gz VQSMIUJMGIPNMO-UHFFFAOYSA-N 1 0 399.333 2.271 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000418520810 648299722 /nfs/dbraw/zinc/29/97/22/648299722.db2.gz HVPDKGGVFZQOQX-SNVBAGLBSA-N 1 0 379.814 2.323 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)NCC1([NH3+])CCC1 ZINC000418532060 648300453 /nfs/dbraw/zinc/30/04/53/648300453.db2.gz YLCYIMFKINWKHM-UHFFFAOYSA-N 1 0 393.289 2.053 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418553645 648301325 /nfs/dbraw/zinc/30/13/25/648301325.db2.gz TYFRTNNXXHFKQK-GDBMZVCRSA-N 1 0 384.318 2.041 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CC[NH3+] ZINC000418551280 648301494 /nfs/dbraw/zinc/30/14/94/648301494.db2.gz LVDRDTIOYIUHDF-NSHDSACASA-N 1 0 375.300 2.378 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418556371 648301712 /nfs/dbraw/zinc/30/17/12/648301712.db2.gz FJXLFNSKZCEGFZ-CZUORRHYSA-N 1 0 381.318 2.279 20 0 GEADRO C[C@]1(CNC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000418557707 648301724 /nfs/dbraw/zinc/30/17/24/648301724.db2.gz XAETUHVCBGUJQD-QAPCUYQASA-N 1 0 398.345 2.289 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418585760 648303045 /nfs/dbraw/zinc/30/30/45/648303045.db2.gz PPDAKQSHRDLJEH-CWRNSKLLSA-N 1 0 398.345 2.478 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418589697 648303605 /nfs/dbraw/zinc/30/36/05/648303605.db2.gz IZEQURFMGKCYSV-HACGYAERSA-N 1 0 398.345 2.206 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)CC[NH2+]1 ZINC000418593219 648303612 /nfs/dbraw/zinc/30/36/12/648303612.db2.gz DQHNSKQAPCGAHI-NFAWXSAZSA-N 1 0 384.318 2.040 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418608656 648304530 /nfs/dbraw/zinc/30/45/30/648304530.db2.gz CWYULPGNXUMHEH-YOEHRIQHSA-N 1 0 395.345 2.274 20 0 GEADRO COC[C@@]1(CNC(=O)N(C)CCc2ccc(Br)cc2)CCC[NH2+]1 ZINC000418635934 648306154 /nfs/dbraw/zinc/30/61/54/648306154.db2.gz LKIDDLVDUQKWIK-KRWDZBQOSA-N 1 0 384.318 2.402 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)NC[C@@H](CO)Cc1ccccc1Br ZINC000418638384 648306188 /nfs/dbraw/zinc/30/61/88/648306188.db2.gz KSLPSYKWCWEBDX-HNNXBMFYSA-N 1 0 396.329 2.209 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418690509 648307265 /nfs/dbraw/zinc/30/72/65/648307265.db2.gz GZYYBVUVVOUVBK-QMTHXVAHSA-N 1 0 376.270 2.438 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418716933 648308099 /nfs/dbraw/zinc/30/80/99/648308099.db2.gz ZCJPLAGKVNKKRD-DGCLKSJQSA-N 1 0 390.297 2.166 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418757724 648309587 /nfs/dbraw/zinc/30/95/87/648309587.db2.gz DYBVCQFQNWMLGC-GFCCVEGCSA-N 1 0 376.682 2.232 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418768605 648310887 /nfs/dbraw/zinc/31/08/87/648310887.db2.gz PECPRNXQURVQNT-KBPBESRZSA-N 1 0 382.302 2.284 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H](CO)Cc1ccccc1Br ZINC000418766908 648310934 /nfs/dbraw/zinc/31/09/34/648310934.db2.gz KUOXSPJGEQRLLK-HOCLYGCPSA-N 1 0 398.345 2.432 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000418789113 648312599 /nfs/dbraw/zinc/31/25/99/648312599.db2.gz LPOYGGHLLHUQGS-GWCFXTLKSA-N 1 0 394.273 2.426 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000418789114 648312615 /nfs/dbraw/zinc/31/26/15/648312615.db2.gz LPOYGGHLLHUQGS-GXFFZTMASA-N 1 0 394.273 2.426 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418797751 648313046 /nfs/dbraw/zinc/31/30/46/648313046.db2.gz VAXTWWZHRUHVAP-IJLUTSLNSA-N 1 0 376.284 2.160 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)C[C@H]12 ZINC000418814103 648313957 /nfs/dbraw/zinc/31/39/57/648313957.db2.gz FPUVTXCXAZOZAF-SUMAQBCMSA-N 1 0 382.291 2.161 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418815377 648314017 /nfs/dbraw/zinc/31/40/17/648314017.db2.gz WYFCZDNFVMRNKV-NXEZZACHSA-N 1 0 388.331 2.116 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418830088 648315133 /nfs/dbraw/zinc/31/51/33/648315133.db2.gz JEVKOEOMQCWURT-DANNLKNASA-N 1 0 394.313 2.150 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418838505 648315729 /nfs/dbraw/zinc/31/57/29/648315729.db2.gz BEWCJBYMISKGGB-CYBMUJFWSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418841202 648316200 /nfs/dbraw/zinc/31/62/00/648316200.db2.gz GPZYCGIFVLJGLO-LRDDRELGSA-N 1 0 396.329 2.130 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000418844064 648316564 /nfs/dbraw/zinc/31/65/64/648316564.db2.gz LFAIQZQWZLSXOU-WOSRLPQWSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418849360 648317282 /nfs/dbraw/zinc/31/72/82/648317282.db2.gz MQPAWIHHEODFHW-TVLCNXBWSA-N 1 0 376.259 2.424 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418857723 648318682 /nfs/dbraw/zinc/31/86/82/648318682.db2.gz SZWPBKGUDTVHBY-HNNXBMFYSA-N 1 0 396.329 2.268 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418867582 648319472 /nfs/dbraw/zinc/31/94/72/648319472.db2.gz UWBNEYSDZJUUKR-VHSXEESVSA-N 1 0 376.259 2.378 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418897659 648322134 /nfs/dbraw/zinc/32/21/34/648322134.db2.gz XJUBEEHVMVYMJD-XNIJJKJLSA-N 1 0 384.307 2.470 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000418939035 648322895 /nfs/dbraw/zinc/32/28/95/648322895.db2.gz QSIIVODZMBIPDQ-UHFFFAOYSA-N 1 0 394.313 2.056 20 0 GEADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)NCc1ccc(Br)cc1 ZINC000418944064 648323264 /nfs/dbraw/zinc/32/32/64/648323264.db2.gz ZSOKPVDSTGGXOC-UHFFFAOYSA-N 1 0 396.329 2.494 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418946864 648324025 /nfs/dbraw/zinc/32/40/25/648324025.db2.gz OZRTYCLXNTYMTG-HZPDHXFCSA-N 1 0 394.313 2.356 20 0 GEADRO O=C(NCCc1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418949581 648324536 /nfs/dbraw/zinc/32/45/36/648324536.db2.gz VAVBYQOEMKIMDN-FRRDWIJNSA-N 1 0 384.307 2.156 20 0 GEADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418977559 648326554 /nfs/dbraw/zinc/32/65/54/648326554.db2.gz VZYDHYZUPHAFMP-GFCCVEGCSA-N 1 0 383.279 2.002 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1cccc(Br)c1)C1CCCCC1 ZINC000418995065 648326927 /nfs/dbraw/zinc/32/69/27/648326927.db2.gz QXNMSLBHIOSGBW-MRXNPFEDSA-N 1 0 396.329 2.132 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419016096 648327188 /nfs/dbraw/zinc/32/71/88/648327188.db2.gz CNRBWCHCOYMJLA-BBRMVZONSA-N 1 0 398.345 2.376 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419016102 648327191 /nfs/dbraw/zinc/32/71/91/648327191.db2.gz CNRBWCHCOYMJLA-XJKSGUPXSA-N 1 0 398.345 2.376 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419034160 648329074 /nfs/dbraw/zinc/32/90/74/648329074.db2.gz CYMYVBAKVMZXMS-SECBINFHSA-N 1 0 396.702 2.114 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000419037128 648329106 /nfs/dbraw/zinc/32/91/06/648329106.db2.gz CPOYMTZBHIWAOJ-SECBINFHSA-N 1 0 378.420 2.117 20 0 GEADRO Cc1sc(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000419047906 648330051 /nfs/dbraw/zinc/33/00/51/648330051.db2.gz UKPNWEFSBCEOSO-JTQLQIEISA-N 1 0 380.901 2.194 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419048477 648330136 /nfs/dbraw/zinc/33/01/36/648330136.db2.gz ADUPUPBPORNHIW-XNRPHZJLSA-N 1 0 396.329 2.130 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419049168 648330499 /nfs/dbraw/zinc/33/04/99/648330499.db2.gz BFXIBLIHQFBPPS-HIFRSBDPSA-N 1 0 396.329 2.097 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000419067053 648332181 /nfs/dbraw/zinc/33/21/81/648332181.db2.gz KQEGJSZLVRVYMJ-DOMZBBRYSA-N 1 0 382.302 2.102 20 0 GEADRO O=C(NCCSCc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419097416 648333675 /nfs/dbraw/zinc/33/36/75/648333675.db2.gz PQXQJRCGKOSJFD-ZDUSSCGKSA-N 1 0 390.336 2.211 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl)C1CC1 ZINC000419100245 648334204 /nfs/dbraw/zinc/33/42/04/648334204.db2.gz VBNXNDSIQFZEKY-CQSZACIVSA-N 1 0 390.336 2.196 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCC[NH2+]C1 ZINC000419113075 648334926 /nfs/dbraw/zinc/33/49/26/648334926.db2.gz WACCASCDIAVHJP-QGZVFWFLSA-N 1 0 380.901 2.072 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000419124357 648335551 /nfs/dbraw/zinc/33/55/51/648335551.db2.gz IAGHQMIYFALEHG-WBMJQRKESA-N 1 0 377.897 2.427 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419133902 648336135 /nfs/dbraw/zinc/33/61/35/648336135.db2.gz JCISVMKLHAVLTK-CHWSQXEVSA-N 1 0 388.295 2.265 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000419133580 648336187 /nfs/dbraw/zinc/33/61/87/648336187.db2.gz IVXYATSWVSBZDS-FZMZJTMJSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Br)cc1 ZINC000419153705 648337636 /nfs/dbraw/zinc/33/76/36/648337636.db2.gz PZPCOWWSPDXZBB-MZGVZZPPSA-N 1 0 394.313 2.212 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000419159874 648338368 /nfs/dbraw/zinc/33/83/68/648338368.db2.gz ZWZKOZRSBLSJJU-SGMGOOAPSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000419158063 648338392 /nfs/dbraw/zinc/33/83/92/648338392.db2.gz XHGMAZXESOQHIB-WFASDCNBSA-N 1 0 384.318 2.458 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000419158391 648338499 /nfs/dbraw/zinc/33/84/99/648338499.db2.gz XNIJUQBQHVRSGJ-SWLSCSKDSA-N 1 0 382.302 2.227 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1)C1CC1 ZINC000419166296 648338713 /nfs/dbraw/zinc/33/87/13/648338713.db2.gz BHHZGBUHVNOGSK-CQSZACIVSA-N 1 0 384.307 2.385 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419168609 648338881 /nfs/dbraw/zinc/33/88/81/648338881.db2.gz SRGVACNDOPJGIL-DOMZBBRYSA-N 1 0 382.302 2.102 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419176717 648339345 /nfs/dbraw/zinc/33/93/45/648339345.db2.gz AKAVURIFCHZHTO-UHFFFAOYSA-N 1 0 396.329 2.103 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1Br ZINC000419179109 648339767 /nfs/dbraw/zinc/33/97/67/648339767.db2.gz CMIKMSGRHQMPFA-STQMWFEESA-N 1 0 396.329 2.087 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1Br ZINC000419179107 648339861 /nfs/dbraw/zinc/33/98/61/648339861.db2.gz CMIKMSGRHQMPFA-OLZOCXBDSA-N 1 0 396.329 2.087 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C[C@@H]1C[NH3+] ZINC000419215160 648342284 /nfs/dbraw/zinc/34/22/84/648342284.db2.gz LNTXQTUKQAXCBT-TYNCELHUSA-N 1 0 381.929 2.436 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)c1cccc(Cl)c1Cl ZINC000419256586 648343077 /nfs/dbraw/zinc/34/30/77/648343077.db2.gz XRNOKKNDPFFTRK-OUJBWJOFSA-N 1 0 388.295 2.400 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419275992 648343889 /nfs/dbraw/zinc/34/38/89/648343889.db2.gz DGPPYPVLVFYLKM-KZULUSFZSA-N 1 0 384.307 2.395 20 0 GEADRO CCC[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000419307522 648346403 /nfs/dbraw/zinc/34/64/03/648346403.db2.gz UGNXZZKLIKWUJW-SWLSCSKDSA-N 1 0 388.295 2.055 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419328519 648347502 /nfs/dbraw/zinc/34/75/02/648347502.db2.gz FUPFAANJTUUBFX-GFCCVEGCSA-N 1 0 382.917 2.098 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419328724 648347770 /nfs/dbraw/zinc/34/77/70/648347770.db2.gz DXEIQKQAAHWDJX-UONOGXRCSA-N 1 0 384.318 2.083 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000419335387 648348239 /nfs/dbraw/zinc/34/82/39/648348239.db2.gz WDIIPKRGYFAYAC-VNHYZAJKSA-N 1 0 377.312 2.120 20 0 GEADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000419339145 648348304 /nfs/dbraw/zinc/34/83/04/648348304.db2.gz ZVVNDDVCJPAELB-IPYPFGDCSA-N 1 0 377.312 2.120 20 0 GEADRO CC[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)Cc1cccc(Br)c1 ZINC000419366152 648350491 /nfs/dbraw/zinc/35/04/91/648350491.db2.gz SBKCLGGZHYJSKS-BBRMVZONSA-N 1 0 398.345 2.234 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419380097 648351060 /nfs/dbraw/zinc/35/10/60/648351060.db2.gz XBNHGTPWMYCTGK-ZDUSSCGKSA-N 1 0 396.329 2.183 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2F)[C@@H](C)C[N@@H+]1CCO ZINC000419434206 648352669 /nfs/dbraw/zinc/35/26/69/648352669.db2.gz KLFHGLXUQSXEMN-NEPJUHHUSA-N 1 0 388.281 2.185 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000419521574 648356116 /nfs/dbraw/zinc/35/61/16/648356116.db2.gz KKCCQQKWNFILME-IUODEOHRSA-N 1 0 396.329 2.087 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000419520686 648356188 /nfs/dbraw/zinc/35/61/88/648356188.db2.gz IPAOQJWDXSXSGU-OLZOCXBDSA-N 1 0 396.329 2.039 20 0 GEADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419626228 648358433 /nfs/dbraw/zinc/35/84/33/648358433.db2.gz JRMLUQYOCGRZHQ-UHFFFAOYSA-N 1 0 376.309 2.273 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCc2ccc(Cl)s2)C2CC3CC(C2)CC1C3 ZINC000419688556 648365178 /nfs/dbraw/zinc/36/51/78/648365178.db2.gz GWFRRTKCDQZVEN-UHFFFAOYSA-N 1 0 381.929 2.288 20 0 GEADRO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC2 ZINC000419698756 648366647 /nfs/dbraw/zinc/36/66/47/648366647.db2.gz UEZHVSSWLYOBSV-AWEZNQCLSA-N 1 0 382.917 2.412 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1)c1ccc(Br)s1 ZINC000419702984 648367475 /nfs/dbraw/zinc/36/74/75/648367475.db2.gz FQXKREWACZFKPA-GHMZBOCLSA-N 1 0 388.331 2.288 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccc(Br)s1 ZINC000419704299 648367781 /nfs/dbraw/zinc/36/77/81/648367781.db2.gz HHAJEYFXOLCZJB-JTQLQIEISA-N 1 0 388.331 2.466 20 0 GEADRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)OC ZINC000419714181 648370126 /nfs/dbraw/zinc/37/01/26/648370126.db2.gz SREUUESURWXYMJ-GXFFZTMASA-N 1 0 379.320 2.247 20 0 GEADRO CN(C(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CCC[NH2+]CC1 ZINC000419738625 648373351 /nfs/dbraw/zinc/37/33/51/648373351.db2.gz ZCECRUIHTAWUQZ-GXFFZTMASA-N 1 0 386.279 2.144 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419752652 648374861 /nfs/dbraw/zinc/37/48/61/648374861.db2.gz WVENGEGFBRGSMO-OAHLLOKOSA-N 1 0 396.329 2.130 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000419759437 648375771 /nfs/dbraw/zinc/37/57/71/648375771.db2.gz MFTMJYLSEZWJCQ-SNVBAGLBSA-N 1 0 396.221 2.031 20 0 GEADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419766441 648376389 /nfs/dbraw/zinc/37/63/89/648376389.db2.gz RUHRUOCHMZJEIT-NXEZZACHSA-N 1 0 380.901 2.413 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000419778071 648377856 /nfs/dbraw/zinc/37/78/56/648377856.db2.gz MAOGCHADWKVQDQ-YMTOWFKASA-N 1 0 386.265 2.009 20 0 GEADRO COC1([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCC1 ZINC000419807706 648380629 /nfs/dbraw/zinc/38/06/29/648380629.db2.gz MRTATDULYNQLMH-SNVBAGLBSA-N 1 0 377.304 2.144 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419824336 648382686 /nfs/dbraw/zinc/38/26/86/648382686.db2.gz PNZFFXBIHYFHSX-CZUORRHYSA-N 1 0 396.329 2.097 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000419843265 648384259 /nfs/dbraw/zinc/38/42/59/648384259.db2.gz MKBWOOSDVCEYRX-GDBMZVCRSA-N 1 0 394.313 2.289 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419852418 648385285 /nfs/dbraw/zinc/38/52/85/648385285.db2.gz LFIIPGSMLMBUBE-MRXNPFEDSA-N 1 0 394.313 2.371 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000419851731 648385411 /nfs/dbraw/zinc/38/54/11/648385411.db2.gz PBBFCXYEVORMFA-INIZCTEOSA-N 1 0 375.519 2.152 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N(Cc1cc(Br)ccc1F)C(C)C ZINC000419849708 648385416 /nfs/dbraw/zinc/38/54/16/648385416.db2.gz ZHLUFNMOYOMRIC-UHFFFAOYSA-N 1 0 388.281 2.051 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000419860586 648385903 /nfs/dbraw/zinc/38/59/03/648385903.db2.gz OOFXSBHOHDUARG-CQSZACIVSA-N 1 0 377.535 2.454 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000419869402 648386435 /nfs/dbraw/zinc/38/64/35/648386435.db2.gz WCAYNBHOZPYBDG-CZUORRHYSA-N 1 0 381.929 2.072 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000419895762 648386672 /nfs/dbraw/zinc/38/66/72/648386672.db2.gz SZQHDMRBBYLVIW-WFASDCNBSA-N 1 0 398.276 2.120 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419922663 648388563 /nfs/dbraw/zinc/38/85/63/648388563.db2.gz AIZMXSYGDSIEHJ-CYBMUJFWSA-N 1 0 396.329 2.127 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419933338 648389854 /nfs/dbraw/zinc/38/98/54/648389854.db2.gz GQUJXLKKLHSOET-CQSZACIVSA-N 1 0 382.302 2.056 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419933270 648389860 /nfs/dbraw/zinc/38/98/60/648389860.db2.gz GHKNSQISDDEABO-HZPDHXFCSA-N 1 0 394.313 2.371 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000419969866 648392085 /nfs/dbraw/zinc/39/20/85/648392085.db2.gz AOWYWYRPVAMMQA-KRWDZBQOSA-N 1 0 395.301 2.067 20 0 GEADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419989248 648393202 /nfs/dbraw/zinc/39/32/02/648393202.db2.gz AQPQELWDMIIQSX-JKSUJKDBSA-N 1 0 394.313 2.371 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000420003409 648395117 /nfs/dbraw/zinc/39/51/17/648395117.db2.gz SXGNYLUEHGOADZ-AWEZNQCLSA-N 1 0 396.329 2.304 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000420010407 648395447 /nfs/dbraw/zinc/39/54/47/648395447.db2.gz XGFSEPGEJFMLAI-GFCCVEGCSA-N 1 0 382.302 2.009 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000420010200 648395506 /nfs/dbraw/zinc/39/55/06/648395506.db2.gz GLWOBIYWZZATHY-MRXNPFEDSA-N 1 0 394.313 2.164 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1)C1CC1 ZINC000420025023 648396832 /nfs/dbraw/zinc/39/68/32/648396832.db2.gz AWMAKBKYSOLIJB-INIZCTEOSA-N 1 0 394.313 2.009 20 0 GEADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000420035359 648397336 /nfs/dbraw/zinc/39/73/36/648397336.db2.gz KDJKJONGDOTYEU-MFKMUULPSA-N 1 0 388.295 2.181 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000420084774 648400260 /nfs/dbraw/zinc/40/02/60/648400260.db2.gz APJOZQTYODWHGF-UHFFFAOYSA-N 1 0 384.318 2.084 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420088233 648400452 /nfs/dbraw/zinc/40/04/52/648400452.db2.gz QNOFKMMEMYBDCU-LBPRGKRZSA-N 1 0 388.331 2.103 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CCC1 ZINC000420090622 648401182 /nfs/dbraw/zinc/40/11/82/648401182.db2.gz LSBQFCPMVQVFHJ-CQSZACIVSA-N 1 0 380.286 2.110 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420115282 648402425 /nfs/dbraw/zinc/40/24/25/648402425.db2.gz GMTBBUBJZFWROV-FZKQIMNGSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000420120895 648403286 /nfs/dbraw/zinc/40/32/86/648403286.db2.gz KFGREFCVFZUAHO-KCXAZCMYSA-N 1 0 394.313 2.369 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420126241 648403858 /nfs/dbraw/zinc/40/38/58/648403858.db2.gz UBPVNKISKDZBRE-CZUORRHYSA-N 1 0 396.329 2.300 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420129442 648404281 /nfs/dbraw/zinc/40/42/81/648404281.db2.gz QSKRIWMTUUOHQI-CZUORRHYSA-N 1 0 396.329 2.443 20 0 GEADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420146837 648405308 /nfs/dbraw/zinc/40/53/08/648405308.db2.gz BLWJILHAIHNSEG-LLVKDONJSA-N 1 0 382.291 2.475 20 0 GEADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420189255 648408800 /nfs/dbraw/zinc/40/88/00/648408800.db2.gz NXAITCJAULBJMN-AAEUAGOBSA-N 1 0 388.295 2.008 20 0 GEADRO CC(C)Cc1ncnc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1I ZINC000420267930 648412263 /nfs/dbraw/zinc/41/22/63/648412263.db2.gz XDHFXYMEXMZSOH-NWDGAFQWSA-N 1 0 386.281 2.325 20 0 GEADRO O=S(=O)(CCN1CCC[C@@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000420355145 648414051 /nfs/dbraw/zinc/41/40/51/648414051.db2.gz CAISLANYDXGTFC-INIZCTEOSA-N 1 0 387.343 2.298 20 0 GEADRO C[C@H]1CCN(CC(=O)Nc2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000420381465 648415140 /nfs/dbraw/zinc/41/51/40/648415140.db2.gz PBQSCSQOBFDGSC-NWDGAFQWSA-N 1 0 387.265 2.146 20 0 GEADRO C[C@@H]1CCN(CC(=O)Nc2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000420381761 648415286 /nfs/dbraw/zinc/41/52/86/648415286.db2.gz PBQSCSQOBFDGSC-VXGBXAGGSA-N 1 0 387.265 2.146 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420448927 648417030 /nfs/dbraw/zinc/41/70/30/648417030.db2.gz MNGDAYXMMSPJOR-TVQRCGJNSA-N 1 0 379.707 2.475 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420450459 648417652 /nfs/dbraw/zinc/41/76/52/648417652.db2.gz HGSJFSLCDUBVOV-OCCSQVGLSA-N 1 0 376.906 2.161 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000420469904 648419321 /nfs/dbraw/zinc/41/93/21/648419321.db2.gz WDGVZYPPPWGXMO-SECBINFHSA-N 1 0 375.210 2.157 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420472044 648419869 /nfs/dbraw/zinc/41/98/69/648419869.db2.gz YWSPAXNGBCJKIB-DOMZBBRYSA-N 1 0 386.901 2.279 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000420473595 648420360 /nfs/dbraw/zinc/42/03/60/648420360.db2.gz DREDBAPITXTJQR-NWDGAFQWSA-N 1 0 391.331 2.453 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420475923 648420802 /nfs/dbraw/zinc/42/08/02/648420802.db2.gz NROFKLJMSQTCPI-SUMWQHHRSA-N 1 0 388.917 2.270 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000420476059 648420858 /nfs/dbraw/zinc/42/08/58/648420858.db2.gz HTJUGILGKHLYDV-QWRGUYRKSA-N 1 0 377.304 2.063 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420475283 648420893 /nfs/dbraw/zinc/42/08/93/648420893.db2.gz MHGPRLYSBXDTMC-CYBMUJFWSA-N 1 0 381.242 2.244 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCOCC1 ZINC000420661442 648428905 /nfs/dbraw/zinc/42/89/05/648428905.db2.gz BJFQPJCOSXUFMD-UHFFFAOYSA-N 1 0 398.859 2.331 20 0 GEADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)CCCS(C)(=O)=O ZINC000420665047 648430014 /nfs/dbraw/zinc/43/00/14/648430014.db2.gz RFUXGDADVLHTJX-UHFFFAOYSA-N 1 0 396.619 2.162 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000420739848 648446187 /nfs/dbraw/zinc/44/61/87/648446187.db2.gz QNHYUEIXNQDCGU-LBPRGKRZSA-N 1 0 377.304 2.172 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000420810357 648457389 /nfs/dbraw/zinc/45/73/89/648457389.db2.gz ZJRQJJNGNDQRHQ-DOMZBBRYSA-N 1 0 382.302 2.179 20 0 GEADRO O=S1(=O)CCCN1CC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420972881 648460643 /nfs/dbraw/zinc/46/06/43/648460643.db2.gz MIZFSGFMTHHHOV-HNNXBMFYSA-N 1 0 387.343 2.492 20 0 GEADRO CC[NH+]1CCC(N2CCCN(Cc3nn(C)cc3Br)CC2)CC1 ZINC000420976940 648460966 /nfs/dbraw/zinc/46/09/66/648460966.db2.gz HJZSARMLLHZALO-UHFFFAOYSA-N 1 0 384.366 2.175 20 0 GEADRO COC1([C@@H](C)[NH2+]Cc2nnnn2-c2ccccc2Br)CCOCC1 ZINC000421026243 648462299 /nfs/dbraw/zinc/46/22/99/648462299.db2.gz FJBDNDIQEQZSTG-GFCCVEGCSA-N 1 0 396.289 2.099 20 0 GEADRO C[N@H+](CCCCNC(=O)C(=O)N1CCc2c1cccc2Br)C1CC1 ZINC000421241343 648477275 /nfs/dbraw/zinc/47/72/75/648477275.db2.gz XGTUMTPQQMENFB-UHFFFAOYSA-N 1 0 394.313 2.329 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)ncc1Br ZINC000421287019 648483763 /nfs/dbraw/zinc/48/37/63/648483763.db2.gz HCFYLHGPZATLEX-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000421300681 648486311 /nfs/dbraw/zinc/48/63/11/648486311.db2.gz IBFONZSQJGVLQL-GFCCVEGCSA-N 1 0 395.301 2.213 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000421303792 648486595 /nfs/dbraw/zinc/48/65/95/648486595.db2.gz SNBPVTIPWDEVIJ-JTQLQIEISA-N 1 0 390.228 2.218 20 0 GEADRO NC(=O)CC1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000421353098 648488307 /nfs/dbraw/zinc/48/83/07/648488307.db2.gz SFAYICQBKFLETN-UHFFFAOYSA-N 1 0 382.302 2.031 20 0 GEADRO CC(C)[N@@H+]1CCc2nc(CN3C[C@H](C(N)=O)[C@@H](C(F)(F)F)C3)sc2C1 ZINC000421397894 648490477 /nfs/dbraw/zinc/49/04/77/648490477.db2.gz YGXXGQQKUFFDPO-QWRGUYRKSA-N 1 0 376.448 2.005 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)OC)C2 ZINC000421954980 648514704 /nfs/dbraw/zinc/51/47/04/648514704.db2.gz FCKKNFRBGIJTFA-GFCCVEGCSA-N 1 0 385.555 2.435 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422022882 648518385 /nfs/dbraw/zinc/51/83/85/648518385.db2.gz OKTDZUFPAMZHDL-DOMZBBRYSA-N 1 0 382.302 2.120 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccncc3Br)CC2)CC1 ZINC000422022594 648518407 /nfs/dbraw/zinc/51/84/07/648518407.db2.gz OXIARAKRQLCAQW-UHFFFAOYSA-N 1 0 395.345 2.476 20 0 GEADRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000422083158 648520071 /nfs/dbraw/zinc/52/00/71/648520071.db2.gz HJILIYUZXMIWJY-VXGBXAGGSA-N 1 0 377.304 2.144 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2c1cccc2Br ZINC000422164029 648526339 /nfs/dbraw/zinc/52/63/39/648526339.db2.gz MXZZDABSJSUEST-CYBMUJFWSA-N 1 0 381.318 2.157 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@@H]21 ZINC000516745658 648534137 /nfs/dbraw/zinc/53/41/37/648534137.db2.gz NZVYGWMPLBKZPF-ADEWGFFLSA-N 1 0 379.262 2.083 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CS1 ZINC000422352165 648539092 /nfs/dbraw/zinc/53/90/92/648539092.db2.gz DQESLTXLXYGOKB-HOSILWTGSA-N 1 0 381.567 2.257 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000422358878 648539951 /nfs/dbraw/zinc/53/99/51/648539951.db2.gz NTSNTOYJPWVMGR-ZDUSSCGKSA-N 1 0 398.345 2.200 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000422514461 648554605 /nfs/dbraw/zinc/55/46/05/648554605.db2.gz HGHPELKUIVBVMP-CJNGLKHVSA-N 1 0 396.329 2.172 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000422515963 648555139 /nfs/dbraw/zinc/55/51/39/648555139.db2.gz IXRHENYTWYQTBP-UKRRQHHQSA-N 1 0 396.329 2.315 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC(C)(C)CC[NH3+])cc1Cl ZINC000422549879 648558222 /nfs/dbraw/zinc/55/82/22/648558222.db2.gz INCMGVMAQGVNGS-UHFFFAOYSA-N 1 0 385.313 2.424 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(Br)c1 ZINC000422552785 648558704 /nfs/dbraw/zinc/55/87/04/648558704.db2.gz IHFPOPVFGAMJSR-TUAOUCFPSA-N 1 0 391.331 2.452 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1Cl ZINC000422555486 648559085 /nfs/dbraw/zinc/55/90/85/648559085.db2.gz QBGZIOLJGNVFMJ-SRVKXCTJSA-N 1 0 376.906 2.351 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422601094 648561503 /nfs/dbraw/zinc/56/15/03/648561503.db2.gz WMNYHDUXLZWMKR-UHFFFAOYSA-N 1 0 399.333 2.224 20 0 GEADRO O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)COc1cccc(Cl)c1Cl ZINC000422903711 648576283 /nfs/dbraw/zinc/57/62/83/648576283.db2.gz OXINYEISNFNOCD-ISTRZQFTSA-N 1 0 375.296 2.090 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N(Cc2cccc(Br)c2)C2CC2)nn1 ZINC000422981174 648579857 /nfs/dbraw/zinc/57/98/57/648579857.db2.gz SBEJILFAYOVVPN-UHFFFAOYSA-N 1 0 378.274 2.194 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000422990547 648579873 /nfs/dbraw/zinc/57/98/73/648579873.db2.gz NQDTWKMIEGWVRB-UHFFFAOYSA-N 1 0 394.313 2.010 20 0 GEADRO CC[C@H](NCC(=O)Nc1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000423108943 648580917 /nfs/dbraw/zinc/58/09/17/648580917.db2.gz RUEJCYNDWVLBME-KBPBESRZSA-N 1 0 387.265 2.350 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423113044 648581838 /nfs/dbraw/zinc/58/18/38/648581838.db2.gz YEZWYRFKXDYYEF-UKRRQHHQSA-N 1 0 396.329 2.383 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423114514 648581888 /nfs/dbraw/zinc/58/18/88/648581888.db2.gz ZJUHYKWPWBTYNN-UHFFFAOYSA-N 1 0 382.302 2.136 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)c(F)cc1F ZINC000423122476 648582995 /nfs/dbraw/zinc/58/29/95/648582995.db2.gz CJYIKPFYAXCZLC-BMIGLBTASA-N 1 0 375.441 2.443 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCc2ccc(I)s2)C1 ZINC000423130911 648584030 /nfs/dbraw/zinc/58/40/30/648584030.db2.gz HBDJDNMKXMGGJS-MWLCHTKSSA-N 1 0 378.279 2.400 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000423135040 648584038 /nfs/dbraw/zinc/58/40/38/648584038.db2.gz XTTOEDWSZSTMAD-HNNXBMFYSA-N 1 0 396.329 2.398 20 0 GEADRO CCOC(=O)C1([C@H](C)N[C@@H](C)c2ncc(Br)cn2)CC[NH2+]CC1 ZINC000423134413 648584083 /nfs/dbraw/zinc/58/40/83/648584083.db2.gz RUJGHOGNHNKQPF-RYUDHWBXSA-N 1 0 385.306 2.211 20 0 GEADRO Cn1cc(I)c(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423152064 648584970 /nfs/dbraw/zinc/58/49/70/648584970.db2.gz FIKHQEUWFRUGEY-IACUBPJLSA-N 1 0 388.297 2.425 20 0 GEADRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000423154847 648585042 /nfs/dbraw/zinc/58/50/42/648585042.db2.gz KDKHQUGLTKWETJ-IOASZLSFSA-N 1 0 389.309 2.096 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])s1 ZINC000423158446 648585728 /nfs/dbraw/zinc/58/57/28/648585728.db2.gz WVZYANDJHCAKHK-BBRMVZONSA-N 1 0 389.587 2.057 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)NCCCc2ccc(Br)cc2F)nn1 ZINC000423203780 648587639 /nfs/dbraw/zinc/58/76/39/648587639.db2.gz NLXRNYDQBIOAHE-UHFFFAOYSA-N 1 0 398.280 2.281 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)C1 ZINC000423230489 648587887 /nfs/dbraw/zinc/58/78/87/648587887.db2.gz DTBYCAJMXYBAGW-LBPRGKRZSA-N 1 0 384.307 2.466 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423251110 648588470 /nfs/dbraw/zinc/58/84/70/648588470.db2.gz WBHNDWHRWANDLF-HNNXBMFYSA-N 1 0 396.329 2.037 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423256836 648588949 /nfs/dbraw/zinc/58/89/49/648588949.db2.gz GGPYSXKSBGTVLR-UHFFFAOYSA-N 1 0 382.262 2.431 20 0 GEADRO C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423329192 648589647 /nfs/dbraw/zinc/58/96/47/648589647.db2.gz FDGVLDSSFZJQAW-ABAIWWIYSA-N 1 0 390.347 2.137 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000423378751 648590111 /nfs/dbraw/zinc/59/01/11/648590111.db2.gz ZTHYXNBBIDLETG-INIZCTEOSA-N 1 0 381.929 2.167 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423450037 648591285 /nfs/dbraw/zinc/59/12/85/648591285.db2.gz DLAMZGHIOSOQBF-GFCCVEGCSA-N 1 0 388.693 2.011 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000423519840 648594070 /nfs/dbraw/zinc/59/40/70/648594070.db2.gz JMZAMRJXPNAIAU-NHYWBVRUSA-N 1 0 398.276 2.059 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)[C@H](C)c2ccccc2Br)CC1 ZINC000423553770 648595138 /nfs/dbraw/zinc/59/51/38/648595138.db2.gz DQVXTCSUKATDJF-CYBMUJFWSA-N 1 0 396.329 2.427 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000423558818 648595554 /nfs/dbraw/zinc/59/55/54/648595554.db2.gz DFUAUHDWOLGTNC-NSHDSACASA-N 1 0 388.331 2.242 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423602347 648596928 /nfs/dbraw/zinc/59/69/28/648596928.db2.gz TVBYOCHTHARLOF-SFHVURJKSA-N 1 0 394.313 2.010 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1C)[C@@H]1CC[NH2+]C1 ZINC000423658653 648598442 /nfs/dbraw/zinc/59/84/42/648598442.db2.gz GIMHABNMNVTURX-MRXNPFEDSA-N 1 0 396.329 2.316 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1csc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000423660707 648598498 /nfs/dbraw/zinc/59/84/98/648598498.db2.gz KSUSAQRAYIBXDG-LBPRGKRZSA-N 1 0 388.331 2.070 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000423666708 648598955 /nfs/dbraw/zinc/59/89/55/648598955.db2.gz SOEODMCSTFKEOL-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000423703657 648599908 /nfs/dbraw/zinc/59/99/08/648599908.db2.gz CKHAIVIWIUTLBW-ZDUSSCGKSA-N 1 0 389.315 2.031 20 0 GEADRO C[C@H]1CC[NH2+][C@H](C(=O)NCCOc2ccc(I)cc2)C1 ZINC000423837243 648602510 /nfs/dbraw/zinc/60/25/10/648602510.db2.gz AXPURVBZSAMQFW-FZMZJTMJSA-N 1 0 388.249 2.174 20 0 GEADRO CC(C)(CNC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1Br ZINC000423847526 648602531 /nfs/dbraw/zinc/60/25/31/648602531.db2.gz MRSYBLRLWKBHJZ-UHFFFAOYSA-N 1 0 380.290 2.097 20 0 GEADRO CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H](C[NH3+])C1CC1 ZINC000423942972 648604179 /nfs/dbraw/zinc/60/41/79/648604179.db2.gz FPERVCDDLOYMDA-CQSZACIVSA-N 1 0 383.290 2.156 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423946783 648604752 /nfs/dbraw/zinc/60/47/52/648604752.db2.gz VPJGMYXVEDKFDP-GXSJLCMTSA-N 1 0 388.331 2.263 20 0 GEADRO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(=O)c1ccc(Br)o1 ZINC000423966146 648606331 /nfs/dbraw/zinc/60/63/31/648606331.db2.gz GFYJRUJGHAGFLU-OLZOCXBDSA-N 1 0 398.301 2.105 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@@]1(C)C[NH3+] ZINC000423982747 648606688 /nfs/dbraw/zinc/60/66/88/648606688.db2.gz KDKFEWZCWIVQAE-CDHAZOANSA-N 1 0 381.929 2.298 20 0 GEADRO O=C(c1cc(I)c[nH]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423994560 648607234 /nfs/dbraw/zinc/60/72/34/648607234.db2.gz IQQZFHRSCZKTNR-AWEZNQCLSA-N 1 0 381.217 2.406 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(I)c1 ZINC000424000515 648608503 /nfs/dbraw/zinc/60/85/03/648608503.db2.gz BSSUQHHSOPEBNC-MNOVXSKESA-N 1 0 388.249 2.357 20 0 GEADRO C[C@H]1CCN(C(=O)c2n[nH]c3ccc(I)cc32)C[C@@H]1C[NH3+] ZINC000424002140 648608604 /nfs/dbraw/zinc/60/86/04/648608604.db2.gz CTDYRKBLJABBKL-UWVGGRQHSA-N 1 0 398.248 2.224 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Br ZINC000424001116 648608651 /nfs/dbraw/zinc/60/86/51/648608651.db2.gz MULLHRMCSSFEMG-GJZGRUSLSA-N 1 0 398.301 2.217 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(I)ccc2Cl)CCCO1 ZINC000424006657 648609032 /nfs/dbraw/zinc/60/90/32/648609032.db2.gz BKEXUTFLXMULED-JTQLQIEISA-N 1 0 394.640 2.134 20 0 GEADRO CCOc1c(Br)cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000424006849 648609220 /nfs/dbraw/zinc/60/92/20/648609220.db2.gz BPUJJDANDBMONX-LBPRGKRZSA-N 1 0 387.274 2.046 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000424009925 648609775 /nfs/dbraw/zinc/60/97/75/648609775.db2.gz ICNADPWKVARXRL-SRCQZFHVSA-N 1 0 396.329 2.460 20 0 GEADRO Cc1sc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000424198458 648616573 /nfs/dbraw/zinc/61/65/73/648616573.db2.gz PIMSJJWNOAZLCW-LLVKDONJSA-N 1 0 384.303 2.347 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424232883 648621067 /nfs/dbraw/zinc/62/10/67/648621067.db2.gz ICRMPEWCTNTHKK-VZJVUDMVSA-N 1 0 383.279 2.448 20 0 GEADRO C[C@@H]1CC2(CN1C(=O)CN(C)C(=O)c1ccc(Br)o1)CC[NH2+]CC2 ZINC000424239833 648621391 /nfs/dbraw/zinc/62/13/91/648621391.db2.gz OLCJTNVMCZBNDP-GFCCVEGCSA-N 1 0 398.301 2.105 20 0 GEADRO CC[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000424333648 648623355 /nfs/dbraw/zinc/62/33/55/648623355.db2.gz WDVGUNVVUAODAX-DOMZBBRYSA-N 1 0 387.933 2.157 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000424451532 648628832 /nfs/dbraw/zinc/62/88/32/648628832.db2.gz DTFDROKZUVDZLS-HUUCEWRRSA-N 1 0 397.317 2.138 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)NCCCC[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000424472796 648630014 /nfs/dbraw/zinc/63/00/14/648630014.db2.gz FVVUMKTYFJBMPZ-LSDHHAIUSA-N 1 0 398.301 2.086 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000424477937 648630725 /nfs/dbraw/zinc/63/07/25/648630725.db2.gz MDNMWPHKOPXAOY-KFWWJZLASA-N 1 0 395.301 2.124 20 0 GEADRO C[C@@H]1CC2(CN1C(=O)C(=O)NCc1ccccc1Br)CC[NH2+]CC2 ZINC000424542576 648634377 /nfs/dbraw/zinc/63/43/77/648634377.db2.gz FTZPFYWXETZJGM-CYBMUJFWSA-N 1 0 394.313 2.056 20 0 GEADRO CO[C@@H](C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1)C1CC1 ZINC000425427943 648676510 /nfs/dbraw/zinc/67/65/10/648676510.db2.gz TZCMKUUYYQKJRP-KRWDZBQOSA-N 1 0 396.329 2.430 20 0 GEADRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425501660 648681549 /nfs/dbraw/zinc/68/15/49/648681549.db2.gz AKPKQAHLIRIKLG-TUKIKUTGSA-N 1 0 383.286 2.114 20 0 GEADRO COC(=O)c1cnc([C@@H](C)NC(=O)NCC2(SC)CC[NH+](C)CC2)s1 ZINC000425552732 648684534 /nfs/dbraw/zinc/68/45/34/648684534.db2.gz QSGSDAYABGSKAJ-LLVKDONJSA-N 1 0 386.543 2.117 20 0 GEADRO CN1C(=O)NCC12CC[NH+](CCOc1cc(F)cc(Br)c1)CC2 ZINC000425537777 648684568 /nfs/dbraw/zinc/68/45/68/648684568.db2.gz HKJYTVOZVWVVPW-UHFFFAOYSA-N 1 0 386.265 2.457 20 0 GEADRO CSC1(CNC(=O)Nc2ccn(CCC(F)(F)F)n2)CC[NH+](C)CC1 ZINC000425702792 648690195 /nfs/dbraw/zinc/69/01/95/648690195.db2.gz VVGMJLKUGQXILG-UHFFFAOYSA-N 1 0 379.452 2.784 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000425824351 648699744 /nfs/dbraw/zinc/69/97/44/648699744.db2.gz YSMQVGFDFJGZSC-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)COc1cccc(I)c1 ZINC000425981966 648702445 /nfs/dbraw/zinc/70/24/45/648702445.db2.gz UJEOOVRNYDQZIY-CYBMUJFWSA-N 1 0 388.249 2.223 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CCC[N@@H+]1C ZINC000426132453 648704517 /nfs/dbraw/zinc/70/45/17/648704517.db2.gz YPCPMFYYEZRYPZ-RISCZKNCSA-N 1 0 390.347 2.497 20 0 GEADRO CN(Cc1c(Br)cnn1C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000426150360 648704947 /nfs/dbraw/zinc/70/49/47/648704947.db2.gz UBRVFUKIHATHFR-SFHVURJKSA-N 1 0 393.329 2.251 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@H]1CCO ZINC000426248193 648710250 /nfs/dbraw/zinc/71/02/50/648710250.db2.gz KUNKIYFKRUYULH-HNNXBMFYSA-N 1 0 385.302 2.133 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000428472094 648735081 /nfs/dbraw/zinc/73/50/81/648735081.db2.gz FHSXKJUTPHXPKD-LBPRGKRZSA-N 1 0 382.302 2.345 20 0 GEADRO C[C@@H]1CN(Cc2ncc(Br)cc2Br)CC[N@@H+]1CCO ZINC000428472743 648735171 /nfs/dbraw/zinc/73/51/71/648735171.db2.gz JLOWKGSLCSFGMS-SNVBAGLBSA-N 1 0 393.123 2.105 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc(Cl)cc1Br ZINC000428562939 648737025 /nfs/dbraw/zinc/73/70/25/648737025.db2.gz YDPCLLFXXGSRRW-UHFFFAOYSA-N 1 0 384.727 2.025 20 0 GEADRO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428597878 648740403 /nfs/dbraw/zinc/74/04/03/648740403.db2.gz RPNNHQYTLSBXPH-NSHDSACASA-N 1 0 388.270 2.417 20 0 GEADRO Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1Br ZINC000428597502 648740566 /nfs/dbraw/zinc/74/05/66/648740566.db2.gz QQMOFJHLGBTPFV-HNNXBMFYSA-N 1 0 394.313 2.042 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000428611368 648741143 /nfs/dbraw/zinc/74/11/43/648741143.db2.gz NMLXCAOTUVAYTL-UHFFFAOYSA-N 1 0 375.922 2.275 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000428620650 648742150 /nfs/dbraw/zinc/74/21/50/648742150.db2.gz LUANRBGUKIPCPX-UNEWFSDZSA-N 1 0 398.345 2.382 20 0 GEADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429271233 648748703 /nfs/dbraw/zinc/74/87/03/648748703.db2.gz ZWZBALKDNODGEQ-RISCZKNCSA-N 1 0 383.290 2.204 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000429892070 648758004 /nfs/dbraw/zinc/75/80/04/648758004.db2.gz SMUAVFKBNPKRPJ-QGZVFWFLSA-N 1 0 395.301 2.067 20 0 GEADRO C[C@@H]1CCCN(CC(=O)Nc2ccc(I)cc2)[C@@H]1C[NH3+] ZINC000430545474 648763412 /nfs/dbraw/zinc/76/34/12/648763412.db2.gz QSWAIGHUWOSLDC-BXUZGUMPSA-N 1 0 387.265 2.289 20 0 GEADRO C[C@@H]1CCCN(CC(=O)Nc2ccc(I)cc2)[C@H]1C[NH3+] ZINC000430545738 648763434 /nfs/dbraw/zinc/76/34/34/648763434.db2.gz QSWAIGHUWOSLDC-RISCZKNCSA-N 1 0 387.265 2.289 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430747615 648767543 /nfs/dbraw/zinc/76/75/43/648767543.db2.gz MTKIZLWPWLTZEK-COPLHBTASA-N 1 0 390.347 2.230 20 0 GEADRO C[C@H](CC(=O)NCc1nc2cc(Br)cnc2[nH]1)C1CC[NH2+]CC1 ZINC000430799505 648768314 /nfs/dbraw/zinc/76/83/14/648768314.db2.gz LNUYPSFRDNEYOF-SNVBAGLBSA-N 1 0 380.290 2.362 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[NH2+]CCOC)CC1 ZINC000430908924 648769952 /nfs/dbraw/zinc/76/99/52/648769952.db2.gz YAWGRWHSNBAAKI-QGZVFWFLSA-N 1 0 398.345 2.280 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000432525439 648777736 /nfs/dbraw/zinc/77/77/36/648777736.db2.gz HRWPOVKTZBYTDV-FZMZJTMJSA-N 1 0 383.290 2.075 20 0 GEADRO CN(Cc1nn(C)cc1Br)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000432805227 648780204 /nfs/dbraw/zinc/78/02/04/648780204.db2.gz NNXISSDEEITLHT-SFHVURJKSA-N 1 0 393.329 2.251 20 0 GEADRO CN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]CC1 ZINC000435746542 648787034 /nfs/dbraw/zinc/78/70/34/648787034.db2.gz YIZRKLBBCDKYJC-ZFWWWQNUSA-N 1 0 394.313 2.403 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000435799920 648787730 /nfs/dbraw/zinc/78/77/30/648787730.db2.gz RKUUNDPUQZSOFJ-CYBMUJFWSA-N 1 0 386.480 2.323 20 0 GEADRO O=C(NCCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1cccc(Br)c1 ZINC000435895359 648789321 /nfs/dbraw/zinc/78/93/21/648789321.db2.gz YPECWUJSCZWXRG-RDTXWAMCSA-N 1 0 394.313 2.075 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)C1 ZINC000439135656 648809265 /nfs/dbraw/zinc/80/92/65/648809265.db2.gz QSFJAIWCTJYYJK-OAHLLOKOSA-N 1 0 380.432 2.264 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)CC1 ZINC000440744286 648811684 /nfs/dbraw/zinc/81/16/84/648811684.db2.gz COSZYOBUWQKTLH-UHFFFAOYSA-N 1 0 390.933 2.375 20 0 GEADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C1 ZINC000440743169 648811719 /nfs/dbraw/zinc/81/17/19/648811719.db2.gz XAFSKFLYMOCLQP-HUUCEWRRSA-N 1 0 388.917 2.270 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000440757478 648812471 /nfs/dbraw/zinc/81/24/71/648812471.db2.gz KUFGMPIORTXPPL-XQQFMLRXSA-N 1 0 376.906 2.125 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000440759400 648812900 /nfs/dbraw/zinc/81/29/00/648812900.db2.gz MFFYLHVPLMNERX-STQMWFEESA-N 1 0 376.906 2.126 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000440797688 648813693 /nfs/dbraw/zinc/81/36/93/648813693.db2.gz FKAALHJQGDGSFV-LBPRGKRZSA-N 1 0 390.347 2.265 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000440819808 648814526 /nfs/dbraw/zinc/81/45/26/648814526.db2.gz XFHYKBQGWMBFSL-OLZOCXBDSA-N 1 0 376.906 2.126 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000440829037 648814960 /nfs/dbraw/zinc/81/49/60/648814960.db2.gz CMWDSRKNGUYJMV-XQQFMLRXSA-N 1 0 376.906 2.112 20 0 GEADRO C[C@H](C[NH3+])CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000440833908 648815550 /nfs/dbraw/zinc/81/55/50/648815550.db2.gz NCZWOCIBNVXTSS-SSDOTTSWSA-N 1 0 375.210 2.341 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000441547742 648831938 /nfs/dbraw/zinc/83/19/38/648831938.db2.gz RFKUZHQMLBUHJT-ZDUSSCGKSA-N 1 0 384.420 2.220 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000441622087 648832772 /nfs/dbraw/zinc/83/27/72/648832772.db2.gz CRUXVFPIQSSQEZ-WFASDCNBSA-N 1 0 399.333 2.128 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000441671470 648833763 /nfs/dbraw/zinc/83/37/63/648833763.db2.gz CVVPOVZZJUZWSB-UHFFFAOYSA-N 1 0 386.265 2.327 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000441953567 648836734 /nfs/dbraw/zinc/83/67/34/648836734.db2.gz ICZPLQXCBDMRAS-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000442613873 648846377 /nfs/dbraw/zinc/84/63/77/648846377.db2.gz GEYFKGKPSSWCCM-JTQLQIEISA-N 1 0 398.248 2.369 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442621159 648846725 /nfs/dbraw/zinc/84/67/25/648846725.db2.gz AUTKQBMPJLUPIP-QWHCGFSZSA-N 1 0 382.302 2.155 20 0 GEADRO CC(C)O[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)C1(C)C ZINC000442889817 648852133 /nfs/dbraw/zinc/85/21/33/648852133.db2.gz MBWIRKIEJBMSNK-JKSUJKDBSA-N 1 0 376.469 2.425 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000443250295 648869167 /nfs/dbraw/zinc/86/91/67/648869167.db2.gz VLOQRYXEQLTZPE-NEPJUHHUSA-N 1 0 382.507 2.449 20 0 GEADRO COC(=O)CC1([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCCC1 ZINC000548099149 651063945 /nfs/dbraw/zinc/06/39/45/651063945.db2.gz GOSVIXPKCVBUEH-UHFFFAOYSA-N 1 0 394.269 2.423 20 0 GEADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000548298703 651076522 /nfs/dbraw/zinc/07/65/22/651076522.db2.gz MYQFVGFQQBVNJV-RISCZKNCSA-N 1 0 376.678 2.299 20 0 GEADRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000548493389 651078824 /nfs/dbraw/zinc/07/88/24/651078824.db2.gz NUIDECMQIJJPGB-PSLIRLAXSA-N 1 0 387.249 2.307 20 0 GEADRO C[C@H](C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)S(C)(=O)=O ZINC000548624909 651082125 /nfs/dbraw/zinc/08/21/25/651082125.db2.gz CIHFJVAVCBARPN-GFCCVEGCSA-N 1 0 375.416 2.473 20 0 GEADRO CSc1cccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000548993843 651091171 /nfs/dbraw/zinc/09/11/71/651091171.db2.gz RVDIAVVPDSZOBH-ZWKOTPCHSA-N 1 0 384.567 2.455 20 0 GEADRO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)NCCc1cccc(Cl)c1Cl ZINC000549475384 651097764 /nfs/dbraw/zinc/09/77/64/651097764.db2.gz DHDWROCQKVXSKK-CQSZACIVSA-N 1 0 384.307 2.443 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000549711437 651099224 /nfs/dbraw/zinc/09/92/24/651099224.db2.gz YOGZSIKQWRTEFG-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO C[C@H](COC1CCCC1)CS(=O)(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000549813381 651101306 /nfs/dbraw/zinc/10/13/06/651101306.db2.gz UGLUYPLTVWJLIP-SJORKVTESA-N 1 0 376.563 2.002 20 0 GEADRO C[C@H]1C[N@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)[C@H]1C ZINC000549924517 651103406 /nfs/dbraw/zinc/10/34/06/651103406.db2.gz YQPDLESWRRVAPJ-STQMWFEESA-N 1 0 386.359 2.495 20 0 GEADRO C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000549963307 651104295 /nfs/dbraw/zinc/10/42/95/651104295.db2.gz CVCUEPPJHJAZFL-WOSRLPQWSA-N 1 0 396.329 2.425 20 0 GEADRO O=C(C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1)Nc1ccccc1Br ZINC000550141732 651105748 /nfs/dbraw/zinc/10/57/48/651105748.db2.gz GHGAIROQGDDVKH-DLBZAZTESA-N 1 0 383.286 2.297 20 0 GEADRO CC[N@H+](CC(=O)Nc1ccc(I)cc1C)[C@@H](C)CO ZINC000550356147 651109867 /nfs/dbraw/zinc/10/98/67/651109867.db2.gz PKNQVEGAQACBNA-NSHDSACASA-N 1 0 376.238 2.241 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1 ZINC000550365117 651110282 /nfs/dbraw/zinc/11/02/82/651110282.db2.gz YPFZMTFGGKUKHQ-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000550375080 651110385 /nfs/dbraw/zinc/11/03/85/651110385.db2.gz DUFHUXYAEFOESL-MRXNPFEDSA-N 1 0 394.313 2.323 20 0 GEADRO CN(CCC[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)CC(F)(F)F ZINC000550623072 651113345 /nfs/dbraw/zinc/11/33/45/651113345.db2.gz SQVUFNNCHSJBLO-OAHLLOKOSA-N 1 0 379.448 2.185 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000550743389 651114681 /nfs/dbraw/zinc/11/46/81/651114681.db2.gz PDGCFEGBQBZFHE-SNVBAGLBSA-N 1 0 378.420 2.033 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CCSC1 ZINC000550832341 651115717 /nfs/dbraw/zinc/11/57/17/651115717.db2.gz GDCSMYGRWQDJCN-MRXNPFEDSA-N 1 0 390.336 2.163 20 0 GEADRO CC[C@H]1c2ccsc2CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550839030 651115858 /nfs/dbraw/zinc/11/58/58/651115858.db2.gz OCBBIKIYYUDQRS-KSSFIOAISA-N 1 0 381.567 2.137 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(OCCO)cc1 ZINC000550937083 651116678 /nfs/dbraw/zinc/11/66/78/651116678.db2.gz BBVKRVZWQGHMNW-ZDUSSCGKSA-N 1 0 381.270 2.160 20 0 GEADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000550967259 651116702 /nfs/dbraw/zinc/11/67/02/651116702.db2.gz NAUUSIYXATWHKV-UHFFFAOYSA-N 1 0 378.420 2.175 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)CCSC1 ZINC000551214850 651120308 /nfs/dbraw/zinc/12/03/08/651120308.db2.gz HDOSIXPDUCLCLF-INIZCTEOSA-N 1 0 390.336 2.163 20 0 GEADRO CC[C@H]1CN(CC[NH2+]Cc2ccc(C(=O)OC)cc2Br)CCO1 ZINC000551822351 651133558 /nfs/dbraw/zinc/13/35/58/651133558.db2.gz CQFSAPRIQZBYBD-HNNXBMFYSA-N 1 0 385.302 2.436 20 0 GEADRO C[C@@](CO)([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccc(Br)cc1 ZINC000552004682 651137635 /nfs/dbraw/zinc/13/76/35/651137635.db2.gz JKRFRMYWXFCQJO-KRWDZBQOSA-N 1 0 398.301 2.015 20 0 GEADRO C[NH+](C)C[C@H](CNC(=O)CC1(CS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000552026508 651138335 /nfs/dbraw/zinc/13/83/35/651138335.db2.gz RYTDKSAIYCPGRP-HNNXBMFYSA-N 1 0 386.945 2.316 20 0 GEADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1 ZINC000552090774 651139980 /nfs/dbraw/zinc/13/99/80/651139980.db2.gz UJBPMOWFKMSLSV-LFPIHBKWSA-N 1 0 380.535 2.324 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)s1 ZINC000552134528 651141687 /nfs/dbraw/zinc/14/16/87/651141687.db2.gz OPIKPDSSMHCGLW-HOTGVXAUSA-N 1 0 384.567 2.162 20 0 GEADRO C[C@@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)NCC[NH+](C)C ZINC000552308221 651146560 /nfs/dbraw/zinc/14/65/60/651146560.db2.gz MAOGALXCHQTVGZ-LLVKDONJSA-N 1 0 380.901 2.260 20 0 GEADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000552311069 651146578 /nfs/dbraw/zinc/14/65/78/651146578.db2.gz UVDXBZHIOODACP-LLVKDONJSA-N 1 0 396.285 2.300 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000552470608 651150222 /nfs/dbraw/zinc/15/02/22/651150222.db2.gz AKDWKFDYCZCHLS-SWLSCSKDSA-N 1 0 379.913 2.346 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000552543647 651152204 /nfs/dbraw/zinc/15/22/04/651152204.db2.gz JACWWRQABYHINE-UHFFFAOYSA-N 1 0 396.329 2.235 20 0 GEADRO Cc1c([C@H](C)[NH2+]CCc2ncn(C)n2)nnn1-c1cccc(Br)c1 ZINC000552582794 651153006 /nfs/dbraw/zinc/15/30/06/651153006.db2.gz XIGPKDSPAMAQAA-NSHDSACASA-N 1 0 390.289 2.360 20 0 GEADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2nc(CC(N)=O)cs2)[C@H](C(F)(F)F)C1 ZINC000552907117 651160818 /nfs/dbraw/zinc/16/08/18/651160818.db2.gz RZVHWTTWGRPAGL-NXEZZACHSA-N 1 0 378.420 2.018 20 0 GEADRO COCCC[N@H+](C)CCNc1ncc(Br)c(OC(C)(C)C)n1 ZINC000553076304 651164054 /nfs/dbraw/zinc/16/40/54/651164054.db2.gz IDHWMPKVYFHFSH-UHFFFAOYSA-N 1 0 375.311 2.797 20 0 GEADRO CC(C)Cc1ncnc(NC[C@H](C2CC2)[NH+](C)C)c1I ZINC000553374213 651173127 /nfs/dbraw/zinc/17/31/27/651173127.db2.gz HJPKLYAFCZGILM-CYBMUJFWSA-N 1 0 388.297 3.032 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)CC1 ZINC000553649277 651184389 /nfs/dbraw/zinc/18/43/89/651184389.db2.gz YTDJGXUWYRXUFX-INIZCTEOSA-N 1 0 394.313 2.401 20 0 GEADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cncc(I)c2)C[C@@H](C)C1 ZINC000553769034 651187446 /nfs/dbraw/zinc/18/74/46/651187446.db2.gz DKPQFXJUXUZTFB-ZOWXZIJZSA-N 1 0 399.276 2.489 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCn2cc(Br)cn2)C1 ZINC000553787324 651188539 /nfs/dbraw/zinc/18/85/39/651188539.db2.gz MXQRRMVWOBVIRL-KBPBESRZSA-N 1 0 386.338 2.313 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000553860030 651190979 /nfs/dbraw/zinc/19/09/79/651190979.db2.gz RDVHOHSMIRLRAG-DOMZBBRYSA-N 1 0 384.885 2.078 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCCn1cc(Br)cn1)c1ccccc1 ZINC000553980837 651195671 /nfs/dbraw/zinc/19/56/71/651195671.db2.gz NCMRVTSBMKMRGQ-OAHLLOKOSA-N 1 0 380.290 2.248 20 0 GEADRO CCOC(=O)CC1(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000554810982 651213760 /nfs/dbraw/zinc/21/37/60/651213760.db2.gz XGBBLRSHTACJNM-CQSZACIVSA-N 1 0 386.539 2.290 20 0 GEADRO CC(=O)NCC[N@H+](C[C@@H](O)COc1ccccc1Cl)C1CCSCC1 ZINC000555073566 651217568 /nfs/dbraw/zinc/21/75/68/651217568.db2.gz PGKXTDCGDUDJHL-MRXNPFEDSA-N 1 0 386.945 2.413 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)c1cnn(-c2ccccn2)c(=O)c1Br ZINC000555166020 651219448 /nfs/dbraw/zinc/21/94/48/651219448.db2.gz SXFGNAPLFBBSJO-ZDUSSCGKSA-N 1 0 392.301 2.168 20 0 GEADRO C[NH+]1CCN(CCCCNS(=O)(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000555283806 651221988 /nfs/dbraw/zinc/22/19/88/651221988.db2.gz CEALMSDXQJJCEI-UHFFFAOYSA-N 1 0 375.485 2.071 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1cc(Br)ccc1OC ZINC000556797251 651252896 /nfs/dbraw/zinc/25/28/96/651252896.db2.gz FUORYWNXSOQNKH-OAHLLOKOSA-N 1 0 387.318 2.209 20 0 GEADRO COc1ccc2nc(C[NH2+][C@@H]3CCCN(S(=O)(=O)C4CC4)C3)sc2c1 ZINC000556845814 651255358 /nfs/dbraw/zinc/25/53/58/651255358.db2.gz HKXGHRQHVHTMMN-GFCCVEGCSA-N 1 0 381.523 2.351 20 0 GEADRO C[C@@H](Cn1cccn1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000556912118 651256853 /nfs/dbraw/zinc/25/68/53/651256853.db2.gz QGIHPIFCERIQAJ-NSHDSACASA-N 1 0 377.297 2.147 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NC[C@H](C)C[NH+](C)C)CC2=O)ccc1Br ZINC000557063486 651261308 /nfs/dbraw/zinc/26/13/08/651261308.db2.gz YFMKCDPHYDOGLH-GXTWGEPZSA-N 1 0 396.329 2.424 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000557147276 651264859 /nfs/dbraw/zinc/26/48/59/651264859.db2.gz MONGHXKIESQASP-KGLIPLIRSA-N 1 0 381.318 2.327 20 0 GEADRO CN(C(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000557231987 651266768 /nfs/dbraw/zinc/26/67/68/651266768.db2.gz WHTIJNAPFJLCIM-SOUVJXGZSA-N 1 0 382.302 2.047 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NC[C@@H](C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000557466765 651269914 /nfs/dbraw/zinc/26/99/14/651269914.db2.gz HYWGWDFDNAFNPU-WBMJQRKESA-N 1 0 384.318 2.330 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000558630718 651283753 /nfs/dbraw/zinc/28/37/53/651283753.db2.gz IUCHMLUFXXRJNN-GFCCVEGCSA-N 1 0 394.317 2.081 20 0 GEADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000558740965 651283925 /nfs/dbraw/zinc/28/39/25/651283925.db2.gz GAQMJAPWQCYCIQ-LBPRGKRZSA-N 1 0 379.295 2.302 20 0 GEADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000558740957 651283945 /nfs/dbraw/zinc/28/39/45/651283945.db2.gz GAQMJAPWQCYCIQ-GFCCVEGCSA-N 1 0 379.295 2.302 20 0 GEADRO C[C@@H](O)C[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000558740607 651284022 /nfs/dbraw/zinc/28/40/22/651284022.db2.gz AOHPAGOMCODTLR-INMHGKMJSA-N 1 0 388.961 2.235 20 0 GEADRO Cc1cc(Br)ccc1C[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000558736806 651284064 /nfs/dbraw/zinc/28/40/64/651284064.db2.gz VFVJVERLPHGATK-CYBMUJFWSA-N 1 0 375.332 2.471 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)NCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000558934804 651288328 /nfs/dbraw/zinc/28/83/28/651288328.db2.gz QLPKUWPJUVESDP-MRXNPFEDSA-N 1 0 387.933 2.067 20 0 GEADRO C[C@H](CCn1cccn1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000560271120 651305866 /nfs/dbraw/zinc/30/58/66/651305866.db2.gz WBXHIGXUVQIWBH-GFCCVEGCSA-N 1 0 398.248 2.495 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000560303687 651306700 /nfs/dbraw/zinc/30/67/00/651306700.db2.gz YMEAPDKVUWMYLZ-KGLIPLIRSA-N 1 0 398.345 2.343 20 0 GEADRO C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1F)C(=O)NCC[NH+](C)C ZINC000560562093 651311645 /nfs/dbraw/zinc/31/16/45/651311645.db2.gz OLZORKHQFLFWEJ-MRVPVSSYSA-N 1 0 394.672 2.038 20 0 GEADRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CCn1cc(Br)cn1 ZINC000560581843 651312055 /nfs/dbraw/zinc/31/20/55/651312055.db2.gz XSKUUHNVGODIKE-AWEZNQCLSA-N 1 0 379.302 2.373 20 0 GEADRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000560603657 651312369 /nfs/dbraw/zinc/31/23/69/651312369.db2.gz MZPAGJYXMWXSSW-CABCVRRESA-N 1 0 387.311 2.194 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000560667548 651313787 /nfs/dbraw/zinc/31/37/87/651313787.db2.gz AMCLYIRGHBGYGI-ZJUUUORDSA-N 1 0 380.436 2.186 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000560672128 651313942 /nfs/dbraw/zinc/31/39/42/651313942.db2.gz LTBHLKPRYRNSIW-BBRMVZONSA-N 1 0 384.307 2.205 20 0 GEADRO CC(C)[C@H]([NH3+])c1cn(CC(=O)Nc2ccc(I)cc2)nn1 ZINC000603159883 651470304 /nfs/dbraw/zinc/47/03/04/651470304.db2.gz BREXMRQGNXUVPE-AWEZNQCLSA-N 1 0 399.236 2.177 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Br)c1)n1cc(CSCC[NH3+])nn1 ZINC000603187213 651471339 /nfs/dbraw/zinc/47/13/39/651471339.db2.gz ZVIIBDWIHDWYNT-JTQLQIEISA-N 1 0 384.303 2.432 20 0 GEADRO CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cccc(I)c2)nn1 ZINC000603205000 651471972 /nfs/dbraw/zinc/47/19/72/651471972.db2.gz XFLBNLALIALHNE-SNVBAGLBSA-N 1 0 399.236 2.192 20 0 GEADRO [NH3+]CCSCc1cn(CCOc2cc(F)cc(Br)c2)nn1 ZINC000603248198 651473910 /nfs/dbraw/zinc/47/39/10/651473910.db2.gz ASCFPVZMFVAMFL-UHFFFAOYSA-N 1 0 375.267 2.451 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)NCc2c(C)cc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000642712824 651473993 /nfs/dbraw/zinc/47/39/93/651473993.db2.gz QNTNSMUXCARYGZ-BBRMVZONSA-N 1 0 396.329 2.268 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)CC[C@H]1C(F)(F)F ZINC000717085317 651474770 /nfs/dbraw/zinc/47/47/70/651474770.db2.gz REUGNZRRQJVMBA-RNFRBKRXSA-N 1 0 393.250 2.411 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000642917577 651475387 /nfs/dbraw/zinc/47/53/87/651475387.db2.gz AXDGGGXXBHNTQC-UHFFFAOYSA-N 1 0 394.313 2.056 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719056778 651475444 /nfs/dbraw/zinc/47/54/44/651475444.db2.gz FVDXYDZUIYGDNJ-CQSZACIVSA-N 1 0 383.286 2.102 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1C(F)(F)F ZINC000720812270 651476326 /nfs/dbraw/zinc/47/63/26/651476326.db2.gz SIZGEIOGUQWZEL-RQJHMYQMSA-N 1 0 393.250 2.268 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2sccc2Br)C[C@@H]1C(F)(F)F ZINC000720813112 651476508 /nfs/dbraw/zinc/47/65/08/651476508.db2.gz YGFZXGYLAXKOGX-RQJHMYQMSA-N 1 0 393.250 2.268 20 0 GEADRO CO[C@]1(C[NH2+]Cc2cccc(Br)c2Cl)CCS(=O)(=O)C1 ZINC000721244113 651477072 /nfs/dbraw/zinc/47/70/72/651477072.db2.gz STZJTIBBQMXYKX-ZDUSSCGKSA-N 1 0 382.707 2.396 20 0 GEADRO Cc1cc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c(Cl)cc1F ZINC000561283844 651477612 /nfs/dbraw/zinc/47/76/12/651477612.db2.gz GIWFCXQONZVHHH-UHFFFAOYSA-N 1 0 389.924 2.282 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000643096321 651477793 /nfs/dbraw/zinc/47/77/93/651477793.db2.gz ZODVINRFEQNKBG-BLLLJJGKSA-N 1 0 376.881 2.386 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000643095973 651477816 /nfs/dbraw/zinc/47/78/16/651477816.db2.gz XVEBZAQPVPQZGC-JKSUJKDBSA-N 1 0 376.881 2.386 20 0 GEADRO CC(=O)N1CSC[C@H]1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000725715699 651478490 /nfs/dbraw/zinc/47/84/90/651478490.db2.gz UXVCJBKSJUBRPD-KRWDZBQOSA-N 1 0 379.551 2.404 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000643274359 651482349 /nfs/dbraw/zinc/48/23/49/651482349.db2.gz FBYQGWCDDBCDJM-UHFFFAOYSA-N 1 0 382.302 2.138 20 0 GEADRO CCOC(=O)CC(C)(C)CC[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000561867357 651483548 /nfs/dbraw/zinc/48/35/48/651483548.db2.gz SSHUBFNWUQWEMI-JKSUJKDBSA-N 1 0 375.531 2.024 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000643398501 651485639 /nfs/dbraw/zinc/48/56/39/651485639.db2.gz RXLYNSNBYHCNJD-MRXNPFEDSA-N 1 0 396.329 2.098 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000643418182 651486604 /nfs/dbraw/zinc/48/66/04/651486604.db2.gz HSWZLLAKGWIJNP-MRXNPFEDSA-N 1 0 396.329 2.097 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)C[C@@H]1O ZINC000561995911 651486763 /nfs/dbraw/zinc/48/67/63/651486763.db2.gz FHLXTAFXJQTIQJ-KBPBESRZSA-N 1 0 377.535 2.075 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000562062998 651487875 /nfs/dbraw/zinc/48/78/75/651487875.db2.gz RXWYTDUEOAOSIR-LLVKDONJSA-N 1 0 379.320 2.465 20 0 GEADRO CC(=O)N1CCC(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000562068651 651488390 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C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2Br)[C@@H](c2ccccc2)C1 ZINC000562565121 651496534 /nfs/dbraw/zinc/49/65/34/651496534.db2.gz JLBGAASXMLHQEW-ZIAGYGMSSA-N 1 0 376.254 2.377 20 0 GEADRO Oc1ccc(Br)c(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000562683196 651499874 /nfs/dbraw/zinc/49/98/74/651499874.db2.gz XLJYDHSRKSRFPP-UHFFFAOYSA-N 1 0 385.302 2.126 20 0 GEADRO COc1cc(Br)ccc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000603898462 651502784 /nfs/dbraw/zinc/50/27/84/651502784.db2.gz AKMFRFSRVVNDOZ-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000563141278 651511842 /nfs/dbraw/zinc/51/18/42/651511842.db2.gz FDEZXVOTAWQHTQ-LLVKDONJSA-N 1 0 383.286 2.349 20 0 GEADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=S)NCC(N)=O ZINC000727085250 651511942 /nfs/dbraw/zinc/51/19/42/651511942.db2.gz QBANIVMMYBATBT-UHFFFAOYSA-N 1 0 391.368 2.497 20 0 GEADRO OCCOc1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000563139648 651511968 /nfs/dbraw/zinc/51/19/68/651511968.db2.gz BDXYKLCGBZQXIS-INIZCTEOSA-N 1 0 396.281 2.350 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000643971036 651512819 /nfs/dbraw/zinc/51/28/19/651512819.db2.gz STHVTYNVBRTEAM-STQMWFEESA-N 1 0 385.555 2.098 20 0 GEADRO Cc1cccc(I)c1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000563160512 651512907 /nfs/dbraw/zinc/51/29/07/651512907.db2.gz PKVPZIUJXSVYQR-JTQLQIEISA-N 1 0 380.176 2.327 20 0 GEADRO CC(C)Oc1ccc(NC(=S)NNC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000727282568 651518165 /nfs/dbraw/zinc/51/81/65/651518165.db2.gz JUCCRJFYJNXPAF-UHFFFAOYSA-N 1 0 381.571 2.234 20 0 GEADRO CO[C@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@@H](C[NH3+])C1 ZINC000644105978 651520913 /nfs/dbraw/zinc/52/09/13/651520913.db2.gz MZPVPIHZLBIJEB-CVEARBPZSA-N 1 0 393.285 2.213 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)CCCCOc1ccc(Br)cc1 ZINC000644133848 651523014 /nfs/dbraw/zinc/52/30/14/651523014.db2.gz JJDVTCQGWCYBBV-HNNXBMFYSA-N 1 0 384.318 2.018 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000604789754 651523338 /nfs/dbraw/zinc/52/33/38/651523338.db2.gz DYTLOCCVEYAKHR-GFCCVEGCSA-N 1 0 382.555 2.246 20 0 GEADRO O=C(C[C@H]1COCC[NH2+]1)NCc1cc(Br)ccc1Br ZINC000644156291 651523509 /nfs/dbraw/zinc/52/35/09/651523509.db2.gz DWVNWQYOCQMURR-NSHDSACASA-N 1 0 392.091 2.206 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000563477700 651526360 /nfs/dbraw/zinc/52/63/60/651526360.db2.gz MZQVUDZYDZXXKT-SNVBAGLBSA-N 1 0 375.416 2.319 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000563477699 651526388 /nfs/dbraw/zinc/52/63/88/651526388.db2.gz MZQVUDZYDZXXKT-JTQLQIEISA-N 1 0 375.416 2.319 20 0 GEADRO O=C(Nc1ccnn1Cc1ccccc1Br)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563489446 651526883 /nfs/dbraw/zinc/52/68/83/651526883.db2.gz WLLUFGPCDZNQOT-JYAVWHMHSA-N 1 0 376.258 2.033 20 0 GEADRO O=C(NC1CC[NH2+]CC1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000563522677 651529307 /nfs/dbraw/zinc/52/93/07/651529307.db2.gz YBZDSEGJNVEKFO-UHFFFAOYSA-N 1 0 378.523 2.182 20 0 GEADRO CC[NH+]1CCC(CNC(=O)C(=O)N(C)Cc2ccccc2Br)CC1 ZINC000563556274 651532127 /nfs/dbraw/zinc/53/21/27/651532127.db2.gz UNYQGNKOWLCSDD-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)sc3Cl)[C@H]2C1 ZINC000644299726 651533168 /nfs/dbraw/zinc/53/31/68/651533168.db2.gz ATHUGRUIEUYKRZ-SFYZADRCSA-N 1 0 385.736 2.489 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)[C@H]2C1 ZINC000644300438 651533405 /nfs/dbraw/zinc/53/34/05/651533405.db2.gz PQYKHVOHEWKACL-PELKAZGASA-N 1 0 381.242 2.052 20 0 GEADRO CC[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)Cc1cccc(Br)c1 ZINC000563581484 651533569 /nfs/dbraw/zinc/53/35/69/651533569.db2.gz JVBRUFLQYKUWAB-AWEZNQCLSA-N 1 0 396.329 2.402 20 0 GEADRO O=C(CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1ccc(Br)cc1 ZINC000563580450 651533697 /nfs/dbraw/zinc/53/36/97/651533697.db2.gz GIFBSULWIZDXSZ-GASCZTMLSA-N 1 0 395.301 2.314 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NCC[C@@H]3CC[NH2+]C3)nc12 ZINC000563584724 651534057 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CCN(CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000644544652 651553121 /nfs/dbraw/zinc/55/31/21/651553121.db2.gz PZCXVBMILBYVHZ-UHFFFAOYSA-N 1 0 375.332 2.297 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000644554816 651553701 /nfs/dbraw/zinc/55/37/01/651553701.db2.gz QUUUSEWDIKMFKA-NJZAAPMLSA-N 1 0 380.432 2.433 20 0 GEADRO CN(CC1CC[NH+](C)CC1)CN1c2cc(Br)ccc2C(=O)C1=O ZINC000728906561 651554421 /nfs/dbraw/zinc/55/44/21/651554421.db2.gz ACKPARMTYSSHOU-UHFFFAOYSA-N 1 0 380.286 2.210 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1OC ZINC000644622396 651559099 /nfs/dbraw/zinc/55/90/99/651559099.db2.gz WSCVTYYWQSMCKP-KFWWJZLASA-N 1 0 392.315 2.005 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000644625644 651559141 /nfs/dbraw/zinc/55/91/41/651559141.db2.gz CUFHWISFJPPXTF-UKPHBRMFSA-N 1 0 394.295 2.143 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Br)c(F)cc1F ZINC000564201224 651560663 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O=S(=O)(NCCC[NH2+]CC1(O)CCCC1)c1ccccc1Br ZINC000570038583 651741828 /nfs/dbraw/zinc/74/18/28/651741828.db2.gz CFDLXRJLHFGDDI-UHFFFAOYSA-N 1 0 391.331 2.012 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N(C)C2C[NH2+]C2)c(Br)c1 ZINC000647299563 651742767 /nfs/dbraw/zinc/74/27/67/651742767.db2.gz RPMLQBQJOBFVQA-UHFFFAOYSA-N 1 0 398.120 2.112 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000647316524 651743429 /nfs/dbraw/zinc/74/34/29/651743429.db2.gz PEHSVJRYACPIEB-NEPJUHHUSA-N 1 0 390.347 2.311 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1Br ZINC000647320134 651744052 /nfs/dbraw/zinc/74/40/52/651744052.db2.gz XBPFKKXJVAJENG-SNVBAGLBSA-N 1 0 389.649 2.378 20 0 GEADRO C[C@H]([NH2+]CCCc1ncn(C)n1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000647326381 651744641 /nfs/dbraw/zinc/74/46/41/651744641.db2.gz CPGFLDUTDCKRQD-VIFPVBQESA-N 1 0 392.312 2.053 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)Cc1ccco1 ZINC000647515097 651749039 /nfs/dbraw/zinc/74/90/39/651749039.db2.gz 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CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(Br)c1 ZINC000647679302 651754160 /nfs/dbraw/zinc/75/41/60/651754160.db2.gz XIWPEKGUVKNVDH-INIZCTEOSA-N 1 0 380.330 2.233 20 0 GEADRO CC(=O)N[C@H](CC(=O)NCCC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000570281849 651757549 /nfs/dbraw/zinc/75/75/49/651757549.db2.gz ODSCIQYLRHGIJS-MRXNPFEDSA-N 1 0 382.302 2.275 20 0 GEADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc(Cl)cc(Br)c1F ZINC000647779084 651759189 /nfs/dbraw/zinc/75/91/89/651759189.db2.gz OSVFBQUVQQMKAG-UHFFFAOYSA-N 1 0 378.673 2.219 20 0 GEADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)NCC1=CC[NH2+]CC1 ZINC000570307715 651759795 /nfs/dbraw/zinc/75/97/95/651759795.db2.gz LQMCLSBAJVWRPL-UHFFFAOYSA-N 1 0 392.257 2.218 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000647818220 651760763 /nfs/dbraw/zinc/76/07/63/651760763.db2.gz DNUDBAZSRPULQY-VXGBXAGGSA-N 1 0 383.286 2.349 20 0 GEADRO O=S(=O)(CCN(C1CC1)C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000647815035 651760823 /nfs/dbraw/zinc/76/08/23/651760823.db2.gz MJHBTXCYYYLOIB-UHFFFAOYSA-N 1 0 387.343 2.439 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000647821424 651761314 /nfs/dbraw/zinc/76/13/14/651761314.db2.gz HIFGIRDNFMOKOV-HOTGVXAUSA-N 1 0 383.286 2.393 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(C[S@](=O)CCOC)c1 ZINC000734988090 651762247 /nfs/dbraw/zinc/76/22/47/651762247.db2.gz ROCQRMHKUQYCAU-CRICUBBOSA-N 1 0 383.583 2.352 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cccc(Br)c3Cl)C2)CC1 ZINC000647825642 651762132 /nfs/dbraw/zinc/76/21/32/651762132.db2.gz AIGGNXRCULTVDK-UHFFFAOYSA-N 1 0 386.721 2.422 20 0 GEADRO Cc1sc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1CS(C)(=O)=O ZINC000570396428 651764568 /nfs/dbraw/zinc/76/45/68/651764568.db2.gz POXGEWXJONKUNQ-MRXNPFEDSA-N 1 0 384.567 2.451 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000647957216 651767136 /nfs/dbraw/zinc/76/71/36/651767136.db2.gz FASAPONDQVIFFP-CQSZACIVSA-N 1 0 390.391 2.329 20 0 GEADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC1(c2ccc(Br)cc2)CCC1 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CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H](O)C(F)F ZINC000570802900 651792353 /nfs/dbraw/zinc/79/23/53/651792353.db2.gz DENMUZBCVZFAKT-NWDGAFQWSA-N 1 0 386.258 2.217 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000735811431 651797813 /nfs/dbraw/zinc/79/78/13/651797813.db2.gz XNLSSWOHZDUBQK-CQSZACIVSA-N 1 0 387.933 2.195 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000570940732 651801758 /nfs/dbraw/zinc/80/17/58/651801758.db2.gz KGKADMIOLOSVPA-ZDUSSCGKSA-N 1 0 392.301 2.434 20 0 GEADRO C[C@H](CC(=O)NC[C@@]1([NH+](C)C)CCSC1)n1cc(Br)cn1 ZINC000648809033 651805291 /nfs/dbraw/zinc/80/52/91/651805291.db2.gz SVVBDRADIBIFLD-RISCZKNCSA-N 1 0 375.336 2.150 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)NCCC[C@H]1CCC[NH2+]1 ZINC000571039295 651807568 /nfs/dbraw/zinc/80/75/68/651807568.db2.gz WNGZYOPDEZRDJT-OAHLLOKOSA-N 1 0 382.302 2.217 20 0 GEADRO CN(C)[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCSC1 ZINC000571040213 651807627 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C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000649078273 651815530 /nfs/dbraw/zinc/81/55/30/651815530.db2.gz FACDLSJBNJHAPG-ZDUSSCGKSA-N 1 0 394.313 2.059 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1COc3ccc(Br)cc31)CCO2 ZINC000649131257 651817039 /nfs/dbraw/zinc/81/70/39/651817039.db2.gz FGAAHXJYVBZTTM-OAHLLOKOSA-N 1 0 395.297 2.248 20 0 GEADRO COc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000571207913 651817321 /nfs/dbraw/zinc/81/73/21/651817321.db2.gz ARMWNFUNXYDIDU-NSHDSACASA-N 1 0 377.304 2.268 20 0 GEADRO COc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1Br ZINC000649135858 651817516 /nfs/dbraw/zinc/81/75/16/651817516.db2.gz LFTPLQLRFNVMKC-UHFFFAOYSA-N 1 0 383.286 2.395 20 0 GEADRO Cn1c(SCC(=O)NCC23CCC[NH+]2CCC3)nnc1-c1cccs1 ZINC000614228046 651817915 /nfs/dbraw/zinc/81/79/15/651817915.db2.gz IWXDOXCRZFMEJI-UHFFFAOYSA-N 1 0 377.539 2.380 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C(C)(C)n2cncn2)s1 ZINC000571230180 651818954 /nfs/dbraw/zinc/81/89/54/651818954.db2.gz 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20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)NCc1cccc(Br)c1C ZINC000571894794 651860553 /nfs/dbraw/zinc/86/05/53/651860553.db2.gz KZEHMBXQUCDDFR-UHFFFAOYSA-N 1 0 384.318 2.222 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000615314623 651861574 /nfs/dbraw/zinc/86/15/74/651861574.db2.gz PBRBVGQAYCWHHF-ZWNOBZJWSA-N 1 0 389.315 2.017 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000571920899 651861910 /nfs/dbraw/zinc/86/19/10/651861910.db2.gz ORCUVNBSGSWILG-GFCCVEGCSA-N 1 0 377.304 2.268 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1I ZINC000572000947 651866671 /nfs/dbraw/zinc/86/66/71/651866671.db2.gz XJNPGRFDEKVOLN-VHSXEESVSA-N 1 0 382.267 2.004 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000571997237 651866749 /nfs/dbraw/zinc/86/67/49/651866749.db2.gz MQNNLPPEKJHICI-AWEZNQCLSA-N 1 0 378.885 2.194 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c(=O)n1C ZINC000615605148 651868947 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CCN(C(=O)CNC(=O)c1cccc(Br)c1)[C@H]1CC[N@H+](CC)C1 ZINC000617933008 651982007 /nfs/dbraw/zinc/98/20/07/651982007.db2.gz CVDFQIYNSSRWAS-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO CCN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@H]1CC[N@H+](CC)C1 ZINC000617927246 651982831 /nfs/dbraw/zinc/98/28/31/651982831.db2.gz SZMZDLDWSJRPPY-NSHDSACASA-N 1 0 396.285 2.336 20 0 GEADRO O=Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000742544014 651991452 /nfs/dbraw/zinc/99/14/52/651991452.db2.gz MYWFGNGPHICTMS-CABCVRRESA-N 1 0 381.270 2.383 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CCc2cc(Br)ccc21 ZINC000573968738 651991968 /nfs/dbraw/zinc/99/19/68/651991968.db2.gz CVRSEXRUCVRNIS-DOTOQJQBSA-N 1 0 381.314 2.442 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000574020580 651995882 /nfs/dbraw/zinc/99/58/82/651995882.db2.gz MLAKLBJRBGMIIM-CYBMUJFWSA-N 1 0 397.317 2.407 20 0 GEADRO COC[C@H](O)C[NH2+]Cc1cc(Cl)c(I)cc1OC ZINC000574033018 651996404 /nfs/dbraw/zinc/99/64/04/651996404.db2.gz CSNAKSVUMXIMDZ-SECBINFHSA-N 1 0 385.629 2.050 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1(S(C)(=O)=O)CC1 ZINC000574034337 651996527 /nfs/dbraw/zinc/99/65/27/651996527.db2.gz WWBADMARPZMINN-WOSRLPQWSA-N 1 0 375.918 2.334 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000574045862 651997784 /nfs/dbraw/zinc/99/77/84/651997784.db2.gz XNXXJOOFDJLJKV-SMDDNHRTSA-N 1 0 384.307 2.394 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c(Br)c1 ZINC000574060872 651998664 /nfs/dbraw/zinc/99/86/64/651998664.db2.gz IFVMHIDDHKYUEN-LSDHHAIUSA-N 1 0 381.270 2.479 20 0 GEADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@@H]2COCCO2)CC1 ZINC000574066875 651998945 /nfs/dbraw/zinc/99/89/45/651998945.db2.gz WYQXWLHIFDQKOF-KRWDZBQOSA-N 1 0 397.313 2.287 20 0 GEADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305095 652003859 /nfs/dbraw/zinc/00/38/59/652003859.db2.gz JXUKQRFDXCIWEC-LBPRGKRZSA-N 1 0 390.311 2.239 20 0 GEADRO 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CZZYNBHSTXKKHY-QFBILLFUSA-N 1 0 397.357 2.443 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000655785933 652011471 /nfs/dbraw/zinc/01/14/71/652011471.db2.gz PBRPVMANMLLNHH-AWEZNQCLSA-N 1 0 391.269 2.180 20 0 GEADRO COCC1(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000655816019 652012327 /nfs/dbraw/zinc/01/23/27/652012327.db2.gz MROPBGVFERFKCZ-JTQLQIEISA-N 1 0 377.304 2.174 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@H]2C)C[C@H]1c1ccc(Br)cc1 ZINC000574318990 652015542 /nfs/dbraw/zinc/01/55/42/652015542.db2.gz LZANQFJYKKPXBN-VCOSZWKGSA-N 1 0 395.297 2.162 20 0 GEADRO O=C(NCC[NH2+]C[C@H](O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000574313489 652015609 /nfs/dbraw/zinc/01/56/09/652015609.db2.gz TXCYKDLWMSKASM-QGZVFWFLSA-N 1 0 377.282 2.372 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)C(F)(F)F ZINC000655957023 652015663 /nfs/dbraw/zinc/01/56/63/652015663.db2.gz LNXUOLVUZRMWDP-ZETCQYMHSA-N 1 0 388.571 2.047 20 0 GEADRO O=C(NCCCc1c(Cl)cccc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000656030861 652019633 /nfs/dbraw/zinc/01/96/33/652019633.db2.gz ZQUQVJKOHLXGQR-BETUJISGSA-N 1 0 384.307 2.395 20 0 GEADRO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000656251786 652027789 /nfs/dbraw/zinc/02/77/89/652027789.db2.gz LRRNUCIXTMOJPY-AWEZNQCLSA-N 1 0 382.917 2.335 20 0 GEADRO O=S(=O)(CC[NH2+]C1CCN(C2CC2)CC1)c1cccc(Br)c1 ZINC000574565256 652030336 /nfs/dbraw/zinc/03/03/36/652030336.db2.gz MYVIPHYQOQNKFP-UHFFFAOYSA-N 1 0 387.343 2.439 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000574567215 652031033 /nfs/dbraw/zinc/03/10/33/652031033.db2.gz XKDZOURYEXJRMG-GHJWDPDVSA-N 1 0 391.295 2.101 20 0 GEADRO CC[N@@H+]1CCN(C(=O)COc2cccc(I)c2)C[C@H]1C ZINC000618855994 652034842 /nfs/dbraw/zinc/03/48/42/652034842.db2.gz KWHOUKOKJMJAGO-GFCCVEGCSA-N 1 0 388.249 2.223 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)CCOc1ccccc1I ZINC000618858103 652035139 /nfs/dbraw/zinc/03/51/39/652035139.db2.gz JENQELPKYKWUPN-UHFFFAOYSA-N 1 0 390.265 2.470 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000574694036 652036849 /nfs/dbraw/zinc/03/68/49/652036849.db2.gz HDSBUWQOWBQSQI-CQSZACIVSA-N 1 0 381.885 2.403 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2csc3ccc(Cl)cc23)C1 ZINC000574689508 652037025 /nfs/dbraw/zinc/03/70/25/652037025.db2.gz OVWJZTRJSSUHSN-LBPRGKRZSA-N 1 0 379.913 2.411 20 0 GEADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H](O)C(F)F ZINC000574841051 652046473 /nfs/dbraw/zinc/04/64/73/652046473.db2.gz UHXWKMYFZPKNBZ-GZMMTYOYSA-N 1 0 378.441 2.474 20 0 GEADRO CCCOc1c(Br)cc(CN2CCN(C)C[C@H]2C[NH3+])cc1OC ZINC000574878221 652048984 /nfs/dbraw/zinc/04/89/84/652048984.db2.gz QEPDSWXKGIBUNC-CQSZACIVSA-N 1 0 386.334 2.321 20 0 GEADRO CC(C)C[C@H](CNc1ncc(S(N)(=O)=O)s1)[NH2+][C@H](C)c1ccccc1 ZINC000574968339 652055373 /nfs/dbraw/zinc/05/53/73/652055373.db2.gz FZRZROUVPCEOAP-UKRRQHHQSA-N 1 0 382.555 2.968 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ncccc1Br 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AMDDHAOYHDYRJL-WCQYABFASA-N 1 0 377.897 2.495 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000575201810 652068517 /nfs/dbraw/zinc/06/85/17/652068517.db2.gz PGOCEPWXAWOIKD-CQSZACIVSA-N 1 0 393.525 2.220 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ncccc2Br)C1 ZINC000656939344 652069132 /nfs/dbraw/zinc/06/91/32/652069132.db2.gz NWFCKPXBXVLFNA-ZDUSSCGKSA-N 1 0 390.347 2.490 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)[C@@H](C)C1 ZINC000575366122 652069642 /nfs/dbraw/zinc/06/96/42/652069642.db2.gz NTPFFKVNMRTIKU-UWWPHRKUSA-N 1 0 396.329 2.402 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656941056 652070075 /nfs/dbraw/zinc/07/00/75/652070075.db2.gz WQDMYQLVMNGEDK-HYVNUMGLSA-N 1 0 390.908 2.492 20 0 GEADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)[NH+]1CC(C)C1 ZINC000575428130 652071229 /nfs/dbraw/zinc/07/12/29/652071229.db2.gz KYQZJBZPMMIAOH-AWEZNQCLSA-N 1 0 394.313 2.074 20 0 GEADRO 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CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000576352135 652109232 /nfs/dbraw/zinc/10/92/32/652109232.db2.gz NAEBEQWJNNCBLE-JKSUJKDBSA-N 1 0 388.917 2.021 20 0 GEADRO O=C(CC1CC[NH2+]CC1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000576349893 652109402 /nfs/dbraw/zinc/10/94/02/652109402.db2.gz CXFJFJFJRJIBPQ-UHFFFAOYSA-N 1 0 396.329 2.292 20 0 GEADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000657090828 652110587 /nfs/dbraw/zinc/11/05/87/652110587.db2.gz ICNVJJVCTVFTFR-UHFFFAOYSA-N 1 0 382.357 2.296 20 0 GEADRO COc1ccc(CN2CC[NH+](CCCCO)CC2)c(Br)c1OC ZINC000746483961 652110798 /nfs/dbraw/zinc/11/07/98/652110798.db2.gz KEQLGWVSMRBIDN-UHFFFAOYSA-N 1 0 387.318 2.356 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000576390096 652113239 /nfs/dbraw/zinc/11/32/39/652113239.db2.gz GXWRJRKBLNKCDJ-VNQPRFMTSA-N 1 0 399.329 2.425 20 0 GEADRO CCC(=O)N[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000620721112 652114316 /nfs/dbraw/zinc/11/43/16/652114316.db2.gz 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CC(C)CNC(=S)N(CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000747760343 652178084 /nfs/dbraw/zinc/17/80/84/652178084.db2.gz QBDVPSLXGPOUHG-MRXNPFEDSA-N 1 0 377.620 2.125 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](C)C1(CO)CC1 ZINC000657608852 652179637 /nfs/dbraw/zinc/17/96/37/652179637.db2.gz ZEBUFWCRGCFVQX-NEPJUHHUSA-N 1 0 385.302 2.213 20 0 GEADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000747843220 652181199 /nfs/dbraw/zinc/18/11/99/652181199.db2.gz NVPWUBVSYOJZSX-SHACYNPGSA-N 1 0 380.535 2.307 20 0 GEADRO O=C(Nc1cccc(Br)c1F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000657630099 652182256 /nfs/dbraw/zinc/18/22/56/652182256.db2.gz TWMDDHGRMNGCSD-LLVKDONJSA-N 1 0 384.249 2.127 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C2=O)ccc1Br ZINC000577372235 652182336 /nfs/dbraw/zinc/18/23/36/652182336.db2.gz WTHVMXVHOOBCEH-LSDHHAIUSA-N 1 0 382.302 2.352 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2cccc(Br)c2)CC1 ZINC000622116074 652182901 /nfs/dbraw/zinc/18/29/01/652182901.db2.gz DQLWCWQIAOTRAM-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2ccccc2Br)CC1 ZINC000622119444 652183791 /nfs/dbraw/zinc/18/37/91/652183791.db2.gz CSVNJBBODMYGQL-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CS1(=O)=O ZINC000657639253 652183710 /nfs/dbraw/zinc/18/37/10/652183710.db2.gz ROEHCMCWPONDJA-PWSUYJOCSA-N 1 0 390.299 2.276 20 0 GEADRO CSc1ccc(Cl)c(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000657643268 652184900 /nfs/dbraw/zinc/18/49/00/652184900.db2.gz ZCXAELIYWZYWSK-UHFFFAOYSA-N 1 0 385.917 2.227 20 0 GEADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000657642905 652185159 /nfs/dbraw/zinc/18/51/59/652185159.db2.gz MFVZMEGQUVHRTE-UHFFFAOYSA-N 1 0 385.917 2.227 20 0 GEADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000577435428 652187857 /nfs/dbraw/zinc/18/78/57/652187857.db2.gz OPXFTFULWVXVFQ-LSDHHAIUSA-N 1 0 375.579 2.062 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000657706931 652194062 /nfs/dbraw/zinc/19/40/62/652194062.db2.gz FWJPJNJWVLCXQZ-KNXALSJPSA-N 1 0 397.313 2.356 20 0 GEADRO CN1CCN(C(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)[C@H](C[NH3+])C1 ZINC000577593660 652199566 /nfs/dbraw/zinc/19/95/66/652199566.db2.gz ULSAKAFPPNGGKX-ZBFHGGJFSA-N 1 0 395.345 2.357 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)Nc3cccc(Br)c3)C2)nn1 ZINC000577600993 652200088 /nfs/dbraw/zinc/20/00/88/652200088.db2.gz VNZRWXWQKQPXNY-AWEZNQCLSA-N 1 0 379.262 2.368 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657752599 652201100 /nfs/dbraw/zinc/20/11/00/652201100.db2.gz QMBFRYDQMPRYCD-MRXNPFEDSA-N 1 0 386.945 2.477 20 0 GEADRO C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)[C@H](C)[NH3+] ZINC000577632409 652203334 /nfs/dbraw/zinc/20/33/34/652203334.db2.gz KGWHKBVTTJOEPY-RWEMILLDSA-N 1 0 387.267 2.050 20 0 GEADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000577628699 652203557 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Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577710319 652209724 /nfs/dbraw/zinc/20/97/24/652209724.db2.gz PBZMBTILPZMQFY-QGZVFWFLSA-N 1 0 398.276 2.437 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1F)C1CC[NH+](C)CC1 ZINC000657836903 652209880 /nfs/dbraw/zinc/20/98/80/652209880.db2.gz XOFWUYNNCBHUHM-SNVBAGLBSA-N 1 0 386.265 2.373 20 0 GEADRO CN(C(=O)C(=O)Nc1cccc(Br)c1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657839992 652209920 /nfs/dbraw/zinc/20/99/20/652209920.db2.gz KGMDJDWPNCAFDX-LLVKDONJSA-N 1 0 384.249 2.222 20 0 GEADRO O=C(Nc1cnc2c(Br)cccn12)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000577727403 652211324 /nfs/dbraw/zinc/21/13/24/652211324.db2.gz HNQCMTIXZNKBKA-VIFPVBQESA-N 1 0 375.230 2.149 20 0 GEADRO C[S@](=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000577742473 652212401 /nfs/dbraw/zinc/21/24/01/652212401.db2.gz STKFMNKJPXSGLT-MQJDWESPSA-N 1 0 396.734 2.343 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000577747380 652212487 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COc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c(Cl)cc1Br ZINC000657955420 652220925 /nfs/dbraw/zinc/22/09/25/652220925.db2.gz LVWMWXHSKTYSIJ-QMMMGPOBSA-N 1 0 392.681 2.116 20 0 GEADRO C[NH+](C)CC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000623049544 652221050 /nfs/dbraw/zinc/22/10/50/652221050.db2.gz AYRPBXYGTDHPSA-UHFFFAOYSA-N 1 0 383.290 2.123 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000623053560 652221864 /nfs/dbraw/zinc/22/18/64/652221864.db2.gz IXNWSRRKBKWSMD-AAEUAGOBSA-N 1 0 378.274 2.096 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H](C)CCC[NH3+] ZINC000577848800 652221907 /nfs/dbraw/zinc/22/19/07/652221907.db2.gz GUQLGCXZEONUKT-SECBINFHSA-N 1 0 377.304 2.018 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCCN(CC(F)F)CC1)c1ccc(Br)cc1 ZINC000577846441 652221977 /nfs/dbraw/zinc/22/19/77/652221977.db2.gz CVGUDIVUOMLHMB-MRXNPFEDSA-N 1 0 390.272 2.422 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000623070412 652222543 /nfs/dbraw/zinc/22/25/43/652222543.db2.gz HHNCKAJTOCTGGN-AWEZNQCLSA-N 1 0 392.301 2.342 20 0 GEADRO C[NH+]1CCN(CCNC(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000577852672 652222795 /nfs/dbraw/zinc/22/27/95/652222795.db2.gz IHXADZYDNSNQEX-UHFFFAOYSA-N 1 0 392.244 2.028 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)CN2CCc3nccc(Br)c3C2)CC1 ZINC000623286624 652231955 /nfs/dbraw/zinc/23/19/55/652231955.db2.gz ZJMRMMUWRHFPFC-UHFFFAOYSA-N 1 0 395.345 2.191 20 0 GEADRO CC(C)[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 ZINC000658026175 652231978 /nfs/dbraw/zinc/23/19/78/652231978.db2.gz BGOYLNBZPKONOL-HUUCEWRRSA-N 1 0 394.306 2.425 20 0 GEADRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000658026128 652232240 /nfs/dbraw/zinc/23/22/40/652232240.db2.gz AOUQWUPOWDWRPC-HZMBPMFUSA-N 1 0 385.835 2.429 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(Br)c(Cl)c1 ZINC000658028415 652232786 /nfs/dbraw/zinc/23/27/86/652232786.db2.gz UFLRKSPOIIELRD-ZANVPECISA-N 1 0 382.707 2.303 20 0 GEADRO C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(Br)c(Cl)c1 ZINC000658028414 652233026 /nfs/dbraw/zinc/23/30/26/652233026.db2.gz UFLRKSPOIIELRD-TVQRCGJNSA-N 1 0 382.707 2.303 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000658047902 652233498 /nfs/dbraw/zinc/23/34/98/652233498.db2.gz UPKPYUOEYAEDQB-GJZGRUSLSA-N 1 0 375.332 2.394 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(c2nc(CS(C)(=O)=O)nc(Cl)c2CC)C1 ZINC000749099711 652234474 /nfs/dbraw/zinc/23/44/74/652234474.db2.gz VJGWPNUMTCKCIF-CYBMUJFWSA-N 1 0 388.965 2.405 20 0 GEADRO CC[C@@H]([NH2+]CC[C@@H](COC)OC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658081238 652235032 /nfs/dbraw/zinc/23/50/32/652235032.db2.gz HHOOCMSIBPCTGL-DZGCQCFKSA-N 1 0 378.922 2.340 20 0 GEADRO COC[C@@H](CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)OC ZINC000658084411 652235846 /nfs/dbraw/zinc/23/58/46/652235846.db2.gz YPWPWVBIZARIKW-NXEZZACHSA-N 1 0 385.313 2.343 20 0 GEADRO O[C@@H](C[NH2+][C@H]1c2ccccc2C[C@H]1O)COc1ccc(Br)cc1 ZINC000578013088 652236093 /nfs/dbraw/zinc/23/60/93/652236093.db2.gz BLGZKCFOINYWCP-QGTPRVQTSA-N 1 0 378.266 2.437 20 0 GEADRO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)cn1 ZINC000658095784 652236538 /nfs/dbraw/zinc/23/65/38/652236538.db2.gz MACAHAXWYGICIL-GFCCVEGCSA-N 1 0 393.285 2.198 20 0 GEADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCNC(=O)c3ccc(Br)cn3)C[C@H]2C1 ZINC000658097652 652237150 /nfs/dbraw/zinc/23/71/50/652237150.db2.gz YIGHGQXFWCPZJI-CUFDPUGPSA-N 1 0 382.302 2.367 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(Br)c1 ZINC000658125207 652238114 /nfs/dbraw/zinc/23/81/14/652238114.db2.gz WAAJPKGPHINRLP-LLVKDONJSA-N 1 0 398.301 2.385 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nc3c(s2)CSCC3)C1 ZINC000658121725 652238257 /nfs/dbraw/zinc/23/82/57/652238257.db2.gz QBGOUBBAUQMMEL-NSHDSACASA-N 1 0 382.555 2.108 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000578116240 652244654 /nfs/dbraw/zinc/24/46/54/652244654.db2.gz GDYSZJRXASCURJ-NSHDSACASA-N 1 0 385.287 2.196 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)ncc1Br ZINC000623522135 652244924 /nfs/dbraw/zinc/24/49/24/652244924.db2.gz YDWYVLSXJSATFJ-SWLSCSKDSA-N 1 0 390.347 2.350 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578131993 652246605 /nfs/dbraw/zinc/24/66/05/652246605.db2.gz HIDSZAOJQUIWSJ-STQMWFEESA-N 1 0 386.901 2.121 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1cc(Br)ccc1F ZINC000578142082 652247806 /nfs/dbraw/zinc/24/78/06/652247806.db2.gz ACDLQUVMWKXQSG-CQSZACIVSA-N 1 0 375.282 2.340 20 0 GEADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749356448 652247972 /nfs/dbraw/zinc/24/79/72/652247972.db2.gz ARJXQYDIZXSFEA-ZDUSSCGKSA-N 1 0 395.305 2.131 20 0 GEADRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)nnn1-c1cccc(Br)c1 ZINC000658259335 652248294 /nfs/dbraw/zinc/24/82/94/652248294.db2.gz LFAOEHSAYAKUPW-MFKMUULPSA-N 1 0 378.274 2.267 20 0 GEADRO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)Sc1ccc(Br)cc1 ZINC000578172329 652250810 /nfs/dbraw/zinc/25/08/10/652250810.db2.gz WFBOBEJZQOOTKF-AAEUAGOBSA-N 1 0 388.331 2.217 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H]1OC ZINC000578187507 652251434 /nfs/dbraw/zinc/25/14/34/652251434.db2.gz GCYOJGDCTKYDPX-HNKHHVNMSA-N 1 0 392.265 2.110 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623643977 652251460 /nfs/dbraw/zinc/25/14/60/652251460.db2.gz IWPAEVWZJXLVDW-GOSISDBHSA-N 1 0 391.313 2.315 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000658332641 652254688 /nfs/dbraw/zinc/25/46/88/652254688.db2.gz DTVCDBVWKIGBOW-LBPRGKRZSA-N 1 0 389.327 2.320 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000623710030 652255262 /nfs/dbraw/zinc/25/52/62/652255262.db2.gz RDSWAAJVJHFVJH-NSHDSACASA-N 1 0 383.290 2.136 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(F)c(Br)c1F)[C@@H]1CC[N@H+](C)C1 ZINC000658359557 652255468 /nfs/dbraw/zinc/25/54/68/652255468.db2.gz BNFYJSRGEIIZKO-SECBINFHSA-N 1 0 390.228 2.218 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000658364033 652256977 /nfs/dbraw/zinc/25/69/77/652256977.db2.gz ZSLOAESHAIEBNP-UHFFFAOYSA-N 1 0 377.304 2.222 20 0 GEADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000658364904 652257292 /nfs/dbraw/zinc/25/72/92/652257292.db2.gz BETNMPKEHADGEA-SNVBAGLBSA-N 1 0 379.295 2.477 20 0 GEADRO CCN(C(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@H]1CC[N@H+](C)C1 ZINC000658364151 652257302 /nfs/dbraw/zinc/25/73/02/652257302.db2.gz YDUHAFBBTQXMDF-JTQLQIEISA-N 1 0 390.228 2.218 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000658365568 652257496 /nfs/dbraw/zinc/25/74/96/652257496.db2.gz AVGMJVHDYLHRSA-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000623749543 652258501 /nfs/dbraw/zinc/25/85/01/652258501.db2.gz JGIGPKDBKMWESG-YGRLFVJLSA-N 1 0 383.290 2.135 20 0 GEADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000658379879 652260549 /nfs/dbraw/zinc/26/05/49/652260549.db2.gz AAERDBKQVGXUHZ-UHFFFAOYSA-N 1 0 378.416 2.491 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCn2cc(Br)ccc2=O)C[C@H]1C ZINC000578320612 652262334 /nfs/dbraw/zinc/26/23/34/652262334.db2.gz KCNZJPPNQGKVKG-UKRRQHHQSA-N 1 0 399.333 2.125 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658390979 652264304 /nfs/dbraw/zinc/26/43/04/652264304.db2.gz ZWRUAIZAJXHJKQ-UHFFFAOYSA-N 1 0 381.267 2.147 20 0 GEADRO CCCN(CCC)S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000658391476 652264556 /nfs/dbraw/zinc/26/45/56/652264556.db2.gz JAVMIBYOEBEBGS-RHSMWYFYSA-N 1 0 375.485 2.367 20 0 GEADRO CC[C@H](C)NC(=S)N(CC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000749759920 652265647 /nfs/dbraw/zinc/26/56/47/652265647.db2.gz AWNLJMFUCTVIOT-HOTGVXAUSA-N 1 0 377.620 2.267 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000658405901 652266443 /nfs/dbraw/zinc/26/64/43/652266443.db2.gz AGBHFKJVLLHLGN-CQSZACIVSA-N 1 0 378.922 2.407 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1OC ZINC000658406671 652266682 /nfs/dbraw/zinc/26/66/82/652266682.db2.gz PPVMKPQMVWOXKD-LLVKDONJSA-N 1 0 395.319 2.118 20 0 GEADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000658410865 652267424 /nfs/dbraw/zinc/26/74/24/652267424.db2.gz LHOGWSSVNIAQTO-ZETCQYMHSA-N 1 0 391.209 2.234 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)[NH+](C)C ZINC000658424831 652269584 /nfs/dbraw/zinc/26/95/84/652269584.db2.gz ADYNTZFMMJTAFJ-JTQLQIEISA-N 1 0 383.290 2.116 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[NH+](C)C ZINC000658425009 652269606 /nfs/dbraw/zinc/26/96/06/652269606.db2.gz CTZOSKUQFYKFFI-MRVPVSSYSA-N 1 0 378.217 2.122 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F)[NH+](C)C ZINC000658425772 652269643 /nfs/dbraw/zinc/26/96/43/652269643.db2.gz FXSFPMILOPEBNX-MRVPVSSYSA-N 1 0 378.217 2.122 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000624097338 652270088 /nfs/dbraw/zinc/27/00/88/652270088.db2.gz UBTBQDZZFKEJHU-AAEUAGOBSA-N 1 0 378.261 2.318 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)ccc1S(C)(=O)=O ZINC000624095772 652270095 /nfs/dbraw/zinc/27/00/95/652270095.db2.gz MDXBOZQOWLPYOW-TZMCWYRMSA-N 1 0 376.469 2.479 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cccc2c(Br)ccnc12)[NH+](C)C ZINC000658428082 652270420 /nfs/dbraw/zinc/27/04/20/652270420.db2.gz KZAJVUDBGWDENP-LLVKDONJSA-N 1 0 393.285 2.392 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000658429198 652271181 /nfs/dbraw/zinc/27/11/81/652271181.db2.gz UEMDNYRJJZKDMO-UHFFFAOYSA-N 1 0 393.290 2.071 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000749899260 652271701 /nfs/dbraw/zinc/27/17/01/652271701.db2.gz RRNDWCYMMKISGY-HOTGVXAUSA-N 1 0 380.945 2.394 20 0 GEADRO Cc1ccc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc1Br ZINC000578437549 652272740 /nfs/dbraw/zinc/27/27/40/652272740.db2.gz AYSMALRIOODROE-UHFFFAOYSA-N 1 0 397.313 2.369 20 0 GEADRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624280999 652278769 /nfs/dbraw/zinc/27/87/69/652278769.db2.gz XAVPKSQLQBLRDZ-LBPRGKRZSA-N 1 0 379.448 2.107 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000658484545 652279807 /nfs/dbraw/zinc/27/98/07/652279807.db2.gz WFCCQWSQTLJAMI-MRXNPFEDSA-N 1 0 394.313 2.133 20 0 GEADRO OCCCC[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000750052068 652280411 /nfs/dbraw/zinc/28/04/11/652280411.db2.gz DWLPMLOUEAIMDC-HNNXBMFYSA-N 1 0 377.312 2.123 20 0 GEADRO COC[C@]1(C)CC[N@@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000578593191 652280497 /nfs/dbraw/zinc/28/04/97/652280497.db2.gz XOJZJVGFHVFTBR-WMLDXEAASA-N 1 0 381.270 2.439 20 0 GEADRO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCc2sc(Cl)cc2C1 ZINC000578626528 652283639 /nfs/dbraw/zinc/28/36/39/652283639.db2.gz UFLWLWCGIIBGQD-UHFFFAOYSA-N 1 0 378.889 2.191 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000624369647 652284066 /nfs/dbraw/zinc/28/40/66/652284066.db2.gz LMPMZIWNYCKYIQ-SECBINFHSA-N 1 0 375.210 2.157 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000624377553 652285266 /nfs/dbraw/zinc/28/52/66/652285266.db2.gz HOIMNZJXTLERTE-ZDUSSCGKSA-N 1 0 391.331 2.466 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000578650935 652286008 /nfs/dbraw/zinc/28/60/08/652286008.db2.gz SNQUIRKBPLPXFY-UWVGGRQHSA-N 1 0 395.294 2.393 20 0 GEADRO COc1cc(F)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(F)c1 ZINC000624391384 652287908 /nfs/dbraw/zinc/28/79/08/652287908.db2.gz WQIBJPQMMQFAJO-SCZZXKLOSA-N 1 0 388.358 2.121 20 0 GEADRO CC[NH2+]CCCNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000578726484 652288382 /nfs/dbraw/zinc/28/83/82/652288382.db2.gz VFDWZIRHRVQUBN-UHFFFAOYSA-N 1 0 385.306 2.407 20 0 GEADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@H]1C[NH2+]CCC1(F)F ZINC000578729993 652289118 /nfs/dbraw/zinc/28/91/18/652289118.db2.gz GJUXEJHZVSBIQK-JQWIXIFHSA-N 1 0 394.191 2.318 20 0 GEADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C[NH2+]1 ZINC000624405212 652291169 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CC[NH+](CC)CCCC1CCN(S(=O)(=O)CC(C)(C)C(=O)OC)CC1 ZINC000578933109 652304759 /nfs/dbraw/zinc/30/47/59/652304759.db2.gz IHIWVRJRVHYVDD-UHFFFAOYSA-N 1 0 376.563 2.349 20 0 GEADRO COCCN1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000578979769 652308620 /nfs/dbraw/zinc/30/86/20/652308620.db2.gz LEZTVDOWLVFVDJ-MRXNPFEDSA-N 1 0 384.318 2.478 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000624917154 652310209 /nfs/dbraw/zinc/31/02/09/652310209.db2.gz HMWQDFALRNGZCY-AWEZNQCLSA-N 1 0 376.469 2.226 20 0 GEADRO Cc1nn(C)c(C)c1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000579019969 652312015 /nfs/dbraw/zinc/31/20/15/652312015.db2.gz VGRJEUXBSQZRLU-UHFFFAOYSA-N 1 0 398.248 2.370 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000658776751 652312279 /nfs/dbraw/zinc/31/22/79/652312279.db2.gz AFQLPONHNWTCNM-SNVBAGLBSA-N 1 0 390.228 2.266 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000658776747 652312380 /nfs/dbraw/zinc/31/23/80/652312380.db2.gz AFQLPONHNWTCNM-JTQLQIEISA-N 1 0 390.228 2.266 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)c(C)cc2OC)C1 ZINC000658779737 652313334 /nfs/dbraw/zinc/31/33/34/652313334.db2.gz WCPSQHOKQPQAOV-LBPRGKRZSA-N 1 0 398.301 2.305 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000624955324 652313725 /nfs/dbraw/zinc/31/37/25/652313725.db2.gz FXYCKFHVXLYPNR-GFCCVEGCSA-N 1 0 387.933 2.258 20 0 GEADRO O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658801248 652314611 /nfs/dbraw/zinc/31/46/11/652314611.db2.gz GYFSMVZZPBSQIE-OAHLLOKOSA-N 1 0 386.279 2.301 20 0 GEADRO CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000579090975 652316580 /nfs/dbraw/zinc/31/65/80/652316580.db2.gz AOJAUIFYPMJMSF-WMLDXEAASA-N 1 0 385.917 2.200 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(F)c2F)C1 ZINC000625040043 652318881 /nfs/dbraw/zinc/31/88/81/652318881.db2.gz RESZAZZMOOHYMJ-CQSZACIVSA-N 1 0 376.469 2.395 20 0 GEADRO C[NH2+]C1CCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000579235456 652327135 /nfs/dbraw/zinc/32/71/35/652327135.db2.gz NSMQUVQVJRLSDN-UHFFFAOYSA-N 1 0 377.080 2.431 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000579235553 652327448 /nfs/dbraw/zinc/32/74/48/652327448.db2.gz TVTJRHIBQWDCIX-NWDGAFQWSA-N 1 0 389.363 2.464 20 0 GEADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000579239295 652327812 /nfs/dbraw/zinc/32/78/12/652327812.db2.gz PTQGXVCIAUKPAS-SMDDNHRTSA-N 1 0 389.315 2.286 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000579237512 652327835 /nfs/dbraw/zinc/32/78/35/652327835.db2.gz QWKLXWCKESEWCD-NSHDSACASA-N 1 0 385.306 2.123 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C2 ZINC000658912801 652331074 /nfs/dbraw/zinc/33/10/74/652331074.db2.gz KSEMTFNKBHHHSE-CQSZACIVSA-N 1 0 394.313 2.152 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)NCCSc3ccc(Cl)cc3)C[C@H]2[NH3+])cn1 ZINC000579343636 652332467 /nfs/dbraw/zinc/33/24/67/652332467.db2.gz HFTMQFBTRWAJRN-JKSUJKDBSA-N 1 0 379.917 2.302 20 0 GEADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)c1 ZINC000579343860 652332675 /nfs/dbraw/zinc/33/26/75/652332675.db2.gz MIHCQVURMZOVFI-HNNXBMFYSA-N 1 0 384.885 2.241 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)NCCN1CC[NH2+]CC1 ZINC000659029462 652338050 /nfs/dbraw/zinc/33/80/50/652338050.db2.gz XTBMSQMOXLYWHY-UHFFFAOYSA-N 1 0 375.698 2.438 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000659074611 652340046 /nfs/dbraw/zinc/34/00/46/652340046.db2.gz OREIMLHVSYCPOX-UHFFFAOYSA-N 1 0 376.682 2.465 20 0 GEADRO O=C(NC[C@@H](O)COc1ccccc1Br)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000579470149 652340185 /nfs/dbraw/zinc/34/01/85/652340185.db2.gz WGFSOFCKTYAQAY-PMUMKWKESA-N 1 0 397.313 2.085 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000579475073 652340713 /nfs/dbraw/zinc/34/07/13/652340713.db2.gz HXXHOAFRVVRTKT-LLVKDONJSA-N 1 0 394.273 2.362 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659080041 652341002 /nfs/dbraw/zinc/34/10/02/652341002.db2.gz CMFQYIMTRFBXLJ-UHFFFAOYSA-N 1 0 382.302 2.189 20 0 GEADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000659082233 652341068 /nfs/dbraw/zinc/34/10/68/652341068.db2.gz UOSOQELZGYWIKY-UHFFFAOYSA-N 1 0 385.917 2.357 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000659085503 652342019 /nfs/dbraw/zinc/34/20/19/652342019.db2.gz KIMBSKTWUAITPV-SKDRFNHKSA-N 1 0 388.693 2.464 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C[C@H]1C[NH3+] ZINC000659086681 652342166 /nfs/dbraw/zinc/34/21/66/652342166.db2.gz AYZPFFRLNMNTHQ-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659088411 652342523 /nfs/dbraw/zinc/34/25/23/652342523.db2.gz JLDYGTBNWQUJGC-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625327472 652342668 /nfs/dbraw/zinc/34/26/68/652342668.db2.gz XHSUEDWFUHBKCX-VHDGCEQUSA-N 1 0 380.286 2.336 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CCCC1 ZINC000659097584 652343118 /nfs/dbraw/zinc/34/31/18/652343118.db2.gz AUGXXILUMJQPLP-UHFFFAOYSA-N 1 0 380.286 2.264 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc3c(Br)ccnc23)CCCC1 ZINC000659097579 652343148 /nfs/dbraw/zinc/34/31/48/652343148.db2.gz ALOVHHUCRIAGMG-UHFFFAOYSA-N 1 0 391.269 2.324 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659098193 652343400 /nfs/dbraw/zinc/34/34/00/652343400.db2.gz FRPJGOWUJOMAJL-UHFFFAOYSA-N 1 0 384.274 2.092 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659099506 652343420 /nfs/dbraw/zinc/34/34/20/652343420.db2.gz CXIKBSPOUPXKCA-UHFFFAOYSA-N 1 0 384.274 2.174 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000751375509 652343659 /nfs/dbraw/zinc/34/36/59/652343659.db2.gz KNMKYJZXBDXBLT-GFCCVEGCSA-N 1 0 387.933 2.241 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659101181 652344044 /nfs/dbraw/zinc/34/40/44/652344044.db2.gz KPIMCWNIFNEOLD-UHFFFAOYSA-N 1 0 386.677 2.299 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659104483 652344070 /nfs/dbraw/zinc/34/40/70/652344070.db2.gz LYQXTVOXUJMQQD-UHFFFAOYSA-N 1 0 386.677 2.218 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000659106396 652344074 /nfs/dbraw/zinc/34/40/74/652344074.db2.gz OJYPVCMPRVCINT-CYBMUJFWSA-N 1 0 393.285 2.425 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659108631 652344640 /nfs/dbraw/zinc/34/46/40/652344640.db2.gz PAJKHDHNVIBNLL-CHWSQXEVSA-N 1 0 386.265 2.409 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000659113696 652344976 /nfs/dbraw/zinc/34/49/76/652344976.db2.gz QBGTWJFETIGJLW-SSDOTTSWSA-N 1 0 382.180 2.131 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000659114620 652345028 /nfs/dbraw/zinc/34/50/28/652345028.db2.gz XYEBHFGWICLFTC-LURJTMIESA-N 1 0 383.073 2.419 20 0 GEADRO CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000579594298 652345998 /nfs/dbraw/zinc/34/59/98/652345998.db2.gz INSBHRRBOWFJSQ-PJODQICGSA-N 1 0 382.302 2.342 20 0 GEADRO [NH3+]C1(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC2(CCC2)C1 ZINC000659253219 652350680 /nfs/dbraw/zinc/35/06/80/652350680.db2.gz OKRBTFJUQJGYJV-UHFFFAOYSA-N 1 0 394.313 2.347 20 0 GEADRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2cn(CC[NH3+])nn2)s1 ZINC000659268802 652351721 /nfs/dbraw/zinc/35/17/21/652351721.db2.gz DFMGGBKHKWUXMK-UHFFFAOYSA-N 1 0 376.873 2.498 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659269834 652351803 /nfs/dbraw/zinc/35/18/03/652351803.db2.gz VSCRHIBYOMZCAH-UHFFFAOYSA-N 1 0 380.286 2.474 20 0 GEADRO Cc1cc(NC(=O)CN2CCC([NH+]3CCOCC3)CC2)ccc1Br ZINC000625549862 652354763 /nfs/dbraw/zinc/35/47/63/652354763.db2.gz QWYGQCLNCSXULC-UHFFFAOYSA-N 1 0 396.329 2.493 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000659354664 652355022 /nfs/dbraw/zinc/35/50/22/652355022.db2.gz BWNVECAZNZLZOD-HUUCEWRRSA-N 1 0 382.482 2.166 20 0 GEADRO CC(=O)N1CC[C@]([NH3+])(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000659374482 652355380 /nfs/dbraw/zinc/35/53/80/652355380.db2.gz LRECEIHRUFXABG-GFCCVEGCSA-N 1 0 377.329 2.106 20 0 GEADRO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCc2sc(Br)cc2C1 ZINC000659367759 652355399 /nfs/dbraw/zinc/35/53/99/652355399.db2.gz NCMKKSKFWDMYCM-NSHDSACASA-N 1 0 396.314 2.225 20 0 GEADRO Cc1cc(Br)c(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)s1 ZINC000659360944 652355438 /nfs/dbraw/zinc/35/54/38/652355438.db2.gz IPFWYZLJAYQMAN-UHFFFAOYSA-N 1 0 384.303 2.265 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1F)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000659380372 652355891 /nfs/dbraw/zinc/35/58/91/652355891.db2.gz AABFFNYXCKFKPA-QMMMGPOBSA-N 1 0 386.200 2.323 20 0 GEADRO CN(CC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)S(C)(=O)=O ZINC000579843176 652357264 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GEADRO C[NH2+]C[C@@H](C)NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000659468951 652358692 /nfs/dbraw/zinc/35/86/92/652358692.db2.gz DOYIMRUOBVCBBA-CYBMUJFWSA-N 1 0 383.334 2.321 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000659479948 652359210 /nfs/dbraw/zinc/35/92/10/652359210.db2.gz JMMGSQDDFPKQIN-DPBGWIHLSA-N 1 0 383.279 2.150 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000659490231 652359448 /nfs/dbraw/zinc/35/94/48/652359448.db2.gz TZQYWOQHRVTMOD-GXFFZTMASA-N 1 0 382.251 2.303 20 0 GEADRO COCCCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000579895591 652359644 /nfs/dbraw/zinc/35/96/44/652359644.db2.gz HTEMSFOJCLFCMB-NSHDSACASA-N 1 0 397.310 2.195 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659508384 652359823 /nfs/dbraw/zinc/35/98/23/652359823.db2.gz UQBXBHWGEHKBHF-KRWDZBQOSA-N 1 0 395.345 2.421 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000659507365 652359852 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NS(=O)(=O)NC1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000626033102 652380080 /nfs/dbraw/zinc/38/00/80/652380080.db2.gz HJAPWHSEBFUGCA-UHFFFAOYSA-N 1 0 386.930 2.221 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000580428077 652380413 /nfs/dbraw/zinc/38/04/13/652380413.db2.gz XYGDWWSGJBWTBP-SECBINFHSA-N 1 0 390.228 2.124 20 0 GEADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000580426490 652380448 /nfs/dbraw/zinc/38/04/48/652380448.db2.gz GYOXOEWHKNCEQR-CHWSQXEVSA-N 1 0 378.274 2.239 20 0 GEADRO C[NH2+]Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(Br)o2)cc1 ZINC000580552504 652383290 /nfs/dbraw/zinc/38/32/90/652383290.db2.gz COCWBGIHTLGVML-UHFFFAOYSA-N 1 0 380.242 2.472 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)Cc1cccnc1 ZINC000580563994 652384014 /nfs/dbraw/zinc/38/40/14/652384014.db2.gz INVDWLGMNMEPRV-WBVHZDCISA-N 1 0 395.297 2.025 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCCc1cc(Br)ccc1F ZINC000580604177 652385462 /nfs/dbraw/zinc/38/54/62/652385462.db2.gz 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O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000580940518 652397341 /nfs/dbraw/zinc/39/73/41/652397341.db2.gz WHVZDEKTAJGKOT-AOOOYVTPSA-N 1 0 388.212 2.019 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000753088728 652399358 /nfs/dbraw/zinc/39/93/58/652399358.db2.gz HUVYEMWDCCVQPO-SNVBAGLBSA-N 1 0 388.299 2.285 20 0 GEADRO CC(C)[N@H+](C)C[C@H](O)CN(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000660455511 652402805 /nfs/dbraw/zinc/40/28/05/652402805.db2.gz IGRRABZMXGOKIY-QGZVFWFLSA-N 1 0 396.333 2.163 20 0 GEADRO O=C(NCCc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626795077 652403538 /nfs/dbraw/zinc/40/35/38/652403538.db2.gz KKJNSCMOQRWADN-UHFFFAOYSA-N 1 0 379.869 2.181 20 0 GEADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000581153251 652403731 /nfs/dbraw/zinc/40/37/31/652403731.db2.gz AOBIGXBXWJVJIX-UHFFFAOYSA-N 1 0 391.921 2.317 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000626829618 652403788 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C[C@@H]1CC[C@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C[NH2+]1 ZINC000627202332 652418450 /nfs/dbraw/zinc/41/84/50/652418450.db2.gz HXSVBYDPXSOUQM-XPKDYRNWSA-N 1 0 384.318 2.040 20 0 GEADRO CSC1(CNC(=O)Nc2ccccc2CS(C)(=O)=O)CC[NH+](C)CC1 ZINC000581637006 652419425 /nfs/dbraw/zinc/41/94/25/652419425.db2.gz BKTDBEDKXCMXMB-UHFFFAOYSA-N 1 0 385.555 2.180 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000627238458 652419920 /nfs/dbraw/zinc/41/99/20/652419920.db2.gz VIIFGKSEQJNGKJ-SMDDNHRTSA-N 1 0 385.295 2.211 20 0 GEADRO O=C(CCCc1ccccc1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627260230 652421001 /nfs/dbraw/zinc/42/10/01/652421001.db2.gz GBDISJCNWHIBIG-HOTGVXAUSA-N 1 0 381.314 2.439 20 0 GEADRO COC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C1CCOCC1 ZINC000661161657 652421426 /nfs/dbraw/zinc/42/14/26/652421426.db2.gz YPKAOWJKRACGBE-NVXWUHKLSA-N 1 0 388.302 2.220 20 0 GEADRO Cn1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(-c2ccc(Cl)s2)n1 ZINC000627264288 652421999 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O=C(NCCCNC(=O)C1([NH2+]C2CC2)CCC1)c1cccc(Br)c1 ZINC000662550824 652467655 /nfs/dbraw/zinc/46/76/55/652467655.db2.gz GMIHYTDTXSXPGU-UHFFFAOYSA-N 1 0 394.313 2.360 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000582938623 652467818 /nfs/dbraw/zinc/46/78/18/652467818.db2.gz VMDOHHVGRURPKU-JTQLQIEISA-N 1 0 378.420 2.399 20 0 GEADRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000662564855 652468048 /nfs/dbraw/zinc/46/80/48/652468048.db2.gz AIWIJLUXJYOZMA-ZDUSSCGKSA-N 1 0 378.274 2.239 20 0 GEADRO N[C@H](C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1Br ZINC000662574196 652468540 /nfs/dbraw/zinc/46/85/40/652468540.db2.gz JFLYRLZPNZGVRB-ULQDDVLXSA-N 1 0 396.329 2.194 20 0 GEADRO [NH3+]C[C@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)CC12CCOCC2 ZINC000582965834 652468791 /nfs/dbraw/zinc/46/87/91/652468791.db2.gz XWSURGMZTBJQJB-AWEZNQCLSA-N 1 0 397.313 2.408 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662583137 652468761 /nfs/dbraw/zinc/46/87/61/652468761.db2.gz BIODKPYBEZGXDK-UHFFFAOYSA-N 1 0 378.274 2.204 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000662582321 652468865 /nfs/dbraw/zinc/46/88/65/652468865.db2.gz OBWDXYDRSWHXGD-LNHVQRHZSA-N 1 0 377.243 2.396 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662611407 652469220 /nfs/dbraw/zinc/46/92/20/652469220.db2.gz YQFXECNQIJBCSB-AWEZNQCLSA-N 1 0 384.318 2.399 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000582973701 652469259 /nfs/dbraw/zinc/46/92/59/652469259.db2.gz HHUJOECTJQIZQF-QWRGUYRKSA-N 1 0 387.265 2.498 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000628739123 652469604 /nfs/dbraw/zinc/46/96/04/652469604.db2.gz KKBZOVQSASJFAO-CYBMUJFWSA-N 1 0 382.302 2.027 20 0 GEADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000582988128 652469847 /nfs/dbraw/zinc/46/98/47/652469847.db2.gz VXSUHCURRAVCIS-AWEZNQCLSA-N 1 0 390.571 2.125 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000662678897 652470334 /nfs/dbraw/zinc/47/03/34/652470334.db2.gz JTTISJKGDOIEFE-OKZIQPOMSA-N 1 0 384.307 2.316 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1Br ZINC000583012679 652471254 /nfs/dbraw/zinc/47/12/54/652471254.db2.gz WNRDWCKICVSVED-QGZVFWFLSA-N 1 0 398.276 2.437 20 0 GEADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662728761 652471835 /nfs/dbraw/zinc/47/18/35/652471835.db2.gz XAFOSTVCVQUYCV-RHSMWYFYSA-N 1 0 386.323 2.438 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2csc(Br)c2)CC1 ZINC000662743924 652472320 /nfs/dbraw/zinc/47/23/20/652472320.db2.gz AAOOHVSNXURRLN-UHFFFAOYSA-N 1 0 388.331 2.231 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cccc(Br)c2C)CC1 ZINC000662746457 652472912 /nfs/dbraw/zinc/47/29/12/652472912.db2.gz UDFJXPIPTUDKCM-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO CCc1nc2cc(S(=O)(=O)NCC3(SC)CC[NH+](C)CC3)ccc2o1 ZINC000583113170 652472945 /nfs/dbraw/zinc/47/29/45/652472945.db2.gz ZLNUXLRAVXLNRA-UHFFFAOYSA-N 1 0 383.539 2.496 20 0 GEADRO CC(C)Oc1cc(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)ccc1Br ZINC000662750883 652473301 /nfs/dbraw/zinc/47/33/01/652473301.db2.gz VOEZYHUVLIXGNS-UHFFFAOYSA-N 1 0 395.257 2.121 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCSc2ccc(Br)cc2)n1 ZINC000662750601 652473305 /nfs/dbraw/zinc/47/33/05/652473305.db2.gz OSUHTNHDDOFZFR-UHFFFAOYSA-N 1 0 397.298 2.202 20 0 GEADRO COC[C@](C)(O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000583140183 652474101 /nfs/dbraw/zinc/47/41/01/652474101.db2.gz QZMPLGIYYDEEQW-IUODEOHRSA-N 1 0 396.709 2.219 20 0 GEADRO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C1CCN(CC(F)(F)F)CC1 ZINC000662808892 652474997 /nfs/dbraw/zinc/47/49/97/652474997.db2.gz MKRYCTMUMGGBPY-MFKMUULPSA-N 1 0 375.357 2.307 20 0 GEADRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000662826048 652475794 /nfs/dbraw/zinc/47/57/94/652475794.db2.gz RCHNPVVEMNTQDC-MRXNPFEDSA-N 1 0 396.329 2.290 20 0 GEADRO O=C(CC[NH2+][C@@H](CO)Cc1ccncc1)Nc1cccc(Br)c1 ZINC000583204831 652477068 /nfs/dbraw/zinc/47/70/68/652477068.db2.gz XLJBBSHWKMCSOX-MRXNPFEDSA-N 1 0 378.270 2.366 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000662925426 652478468 /nfs/dbraw/zinc/47/84/68/652478468.db2.gz QDSFPYLHKFUJDY-CYBMUJFWSA-N 1 0 396.340 2.151 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000662923511 652478692 /nfs/dbraw/zinc/47/86/92/652478692.db2.gz WVXHYDGUKFUXCH-UHFFFAOYSA-N 1 0 375.519 2.288 20 0 GEADRO CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000583258466 652478926 /nfs/dbraw/zinc/47/89/26/652478926.db2.gz VMWGHIRXKRKXFW-HIFRSBDPSA-N 1 0 383.286 2.500 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000662940827 652479253 /nfs/dbraw/zinc/47/92/53/652479253.db2.gz XXSXUYVPYDCTFZ-UHFFFAOYSA-N 1 0 388.331 2.197 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000662962632 652479664 /nfs/dbraw/zinc/47/96/64/652479664.db2.gz XWWWJSNEZDHDGB-LLVKDONJSA-N 1 0 377.286 2.461 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C1 ZINC000662969664 652480023 /nfs/dbraw/zinc/48/00/23/652480023.db2.gz WAPXMNUJODWPEF-YPMHNXCESA-N 1 0 384.307 2.464 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C1 ZINC000662969662 652480099 /nfs/dbraw/zinc/48/00/99/652480099.db2.gz WAPXMNUJODWPEF-WCQYABFASA-N 1 0 384.307 2.464 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)C2 ZINC000662993360 652480886 /nfs/dbraw/zinc/48/08/86/652480886.db2.gz NORXEFFLFIZUQV-FZMZJTMJSA-N 1 0 394.313 2.043 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000583415284 652483784 /nfs/dbraw/zinc/48/37/84/652483784.db2.gz YGCAENQJIMWUQL-JTQLQIEISA-N 1 0 378.420 2.399 20 0 GEADRO CC(C)[C@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC[NH2+]1 ZINC000663221686 652485664 /nfs/dbraw/zinc/48/56/64/652485664.db2.gz IMMXGWCKMSPZKZ-CABCVRRESA-N 1 0 380.286 2.011 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)/C=C\c2ccc(Br)o2)ccc1=O ZINC000756064007 652486632 /nfs/dbraw/zinc/48/66/32/652486632.db2.gz SDVCINFPTQJVPI-ALCCZGGFSA-N 1 0 380.242 2.417 20 0 GEADRO O=S1(=O)CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000583626748 652492219 /nfs/dbraw/zinc/49/22/19/652492219.db2.gz ICVXXOZQWLVVHB-VXGBXAGGSA-N 1 0 382.309 2.290 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3Cl)C[C@H]21 ZINC000629353733 652493129 /nfs/dbraw/zinc/49/31/29/652493129.db2.gz OZYLPOWMYWZJGD-IWIIMEHWSA-N 1 0 379.707 2.283 20 0 GEADRO Cc1sc(Br)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000663311820 652493481 /nfs/dbraw/zinc/49/34/81/652493481.db2.gz QUZJTZQHIYOQSB-ZETCQYMHSA-N 1 0 381.239 2.329 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)s1 ZINC000663312061 652493484 /nfs/dbraw/zinc/49/34/84/652493484.db2.gz SSSRKTIRUORSOF-SSDOTTSWSA-N 1 0 381.239 2.329 20 0 GEADRO C[C@@]1(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000663313138 652493647 /nfs/dbraw/zinc/49/36/47/652493647.db2.gz RXNBAVPVVVBDQN-LLVKDONJSA-N 1 0 387.221 2.498 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CC=C(c2cccc(Br)c2)CC1 ZINC000583683477 652494172 /nfs/dbraw/zinc/49/41/72/652494172.db2.gz WEYMMLYSIWOBPL-INIZCTEOSA-N 1 0 380.286 2.236 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000663362692 652495186 /nfs/dbraw/zinc/49/51/86/652495186.db2.gz BOJDCMLFUDQHFO-UHFFFAOYSA-N 1 0 389.315 2.335 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000663364052 652495200 /nfs/dbraw/zinc/49/52/00/652495200.db2.gz OGQWTJMLCRFOMP-LBPRGKRZSA-N 1 0 381.416 2.002 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000663364040 652495255 /nfs/dbraw/zinc/49/52/55/652495255.db2.gz ODPYSOOEOYSYIL-UHFFFAOYSA-N 1 0 389.315 2.335 20 0 GEADRO CCC(CC)[C@@H](CNc1ncc(Br)cc1S(N)(=O)=O)[NH+](C)C ZINC000663380873 652495812 /nfs/dbraw/zinc/49/58/12/652495812.db2.gz ZAHOIFCLAJNQTF-GFCCVEGCSA-N 1 0 393.351 2.270 20 0 GEADRO CC(C)[C@@H](CNc1nnc2ccc(Br)cn21)[NH+]1CCN(C)CC1 ZINC000663377173 652495903 /nfs/dbraw/zinc/49/59/03/652495903.db2.gz PWRCJZYUFRPERG-CQSZACIVSA-N 1 0 381.322 2.176 20 0 GEADRO O=C(CC[NH+]1CCN([C@@H]2CCOC2)CC1)Nc1ccc(Br)cc1 ZINC000663390271 652496473 /nfs/dbraw/zinc/49/64/73/652496473.db2.gz VOYWNNADISYPEA-MRXNPFEDSA-N 1 0 382.302 2.184 20 0 GEADRO O=C(CC[NH+]1CCN([C@H]2CCOC2)CC1)Nc1ccc(Br)cc1 ZINC000663390270 652496528 /nfs/dbraw/zinc/49/65/28/652496528.db2.gz VOYWNNADISYPEA-INIZCTEOSA-N 1 0 382.302 2.184 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000583871688 652500854 /nfs/dbraw/zinc/50/08/54/652500854.db2.gz WUEFPZFZQOASER-CHWSQXEVSA-N 1 0 376.906 2.113 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH+]1CCN(c2ccc(Br)cc2)CC1)C1CC1 ZINC000630049911 652501326 /nfs/dbraw/zinc/50/13/26/652501326.db2.gz JYMSEWQYHDECTJ-MSOLQXFVSA-N 1 0 383.330 2.483 20 0 GEADRO C[C@@](O)(C[C@H](O)C[NH+]1CCN(c2cccc(Br)c2)CC1)C1CC1 ZINC000630038392 652501452 /nfs/dbraw/zinc/50/14/52/652501452.db2.gz BGUNZEYMROBIAB-ZWKOTPCHSA-N 1 0 383.330 2.483 20 0 GEADRO CCCOc1c(Br)cc(CN2CCOC3(C[NH2+]C3)C2)cc1OC ZINC000663513788 652502246 /nfs/dbraw/zinc/50/22/46/652502246.db2.gz PWOVJIIHABGXAY-UHFFFAOYSA-N 1 0 385.302 2.421 20 0 GEADRO Cc1nc(C)c(Br)c(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000663521756 652502734 /nfs/dbraw/zinc/50/27/34/652502734.db2.gz OGEDTLPLQQBBAA-CYBMUJFWSA-N 1 0 384.322 2.211 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000583996960 652505209 /nfs/dbraw/zinc/50/52/09/652505209.db2.gz LWADTKUAHXCFFF-UHFFFAOYSA-N 1 0 389.315 2.117 20 0 GEADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 ZINC000663605284 652506130 /nfs/dbraw/zinc/50/61/30/652506130.db2.gz IMQQWDBGRARQFO-UHFFFAOYSA-N 1 0 379.766 2.422 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663605299 652506172 /nfs/dbraw/zinc/50/61/72/652506172.db2.gz RWJYZNGOVVTJPX-LDYMZIIASA-N 1 0 379.766 2.291 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663605292 652506217 /nfs/dbraw/zinc/50/62/17/652506217.db2.gz RWJYZNGOVVTJPX-KCJUWKMLSA-N 1 0 379.766 2.291 20 0 GEADRO C[C@@]1(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)CC[NH2+]C1 ZINC000663612741 652506720 /nfs/dbraw/zinc/50/67/20/652506720.db2.gz KMSQXDSBRZVEPM-CYBMUJFWSA-N 1 0 394.191 2.275 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000584108160 652509306 /nfs/dbraw/zinc/50/93/06/652509306.db2.gz PNPVGBYHDLMKDU-CVEARBPZSA-N 1 0 387.343 2.439 20 0 GEADRO CCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCC[NH2+]CC1 ZINC000584123171 652510406 /nfs/dbraw/zinc/51/04/06/652510406.db2.gz NJPUBRUGGIZALD-LBPRGKRZSA-N 1 0 393.962 2.013 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000630559434 652511961 /nfs/dbraw/zinc/51/19/61/652511961.db2.gz RSVUUDDJGNCQGF-PKOBYXMFSA-N 1 0 394.357 2.480 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cc(Br)cnn1 ZINC000663827391 652512365 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COc1ccc(CC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1OC ZINC000631030721 652518437 /nfs/dbraw/zinc/51/84/37/652518437.db2.gz YEMSASAWHXCPBJ-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631050833 652519078 /nfs/dbraw/zinc/51/90/78/652519078.db2.gz DVTZVSKWQIJZSK-MRXNPFEDSA-N 1 0 381.929 2.250 20 0 GEADRO COc1ccc(CC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c(OC)c1 ZINC000631057156 652519668 /nfs/dbraw/zinc/51/96/68/652519668.db2.gz YWCALLXNVGRWTF-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO COc1cc(Cl)c(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1OC ZINC000631107865 652520214 /nfs/dbraw/zinc/52/02/14/652520214.db2.gz IAMYGJKSIADZAT-DYVFJYSZSA-N 1 0 389.901 2.183 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(F)cc1Br ZINC000631108614 652520303 /nfs/dbraw/zinc/52/03/03/652520303.db2.gz YVAMROVTWNFNGM-RISCZKNCSA-N 1 0 389.265 2.322 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C2COC(C)(C)OC2)ccc1S(=O)(=O)C(F)F ZINC000757697798 652520706 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O=C(Cc1ccc(Br)cc1F)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000665576968 652554697 /nfs/dbraw/zinc/55/46/97/652554697.db2.gz DEIFVPJDVYLXDG-UHFFFAOYSA-N 1 0 398.320 2.371 20 0 GEADRO Cc1ccc(Cl)c2c1CCCN2S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632427371 652562938 /nfs/dbraw/zinc/56/29/38/652562938.db2.gz DURFQTGARRAPNE-UHFFFAOYSA-N 1 0 385.961 2.368 20 0 GEADRO O=C(NCC[NH+]1CCC1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000665930000 652563273 /nfs/dbraw/zinc/56/32/73/652563273.db2.gz JDWLNKQHCYAHRA-UHFFFAOYSA-N 1 0 380.246 2.004 20 0 GEADRO CSC1(CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)CC[NH+](C)CC1 ZINC000589475973 652567706 /nfs/dbraw/zinc/56/77/06/652567706.db2.gz ZBGBSQKBLFDTGZ-UHFFFAOYSA-N 1 0 384.567 2.102 20 0 GEADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632575260 652568000 /nfs/dbraw/zinc/56/80/00/652568000.db2.gz HGBCZPFVSBGMTK-LBPRGKRZSA-N 1 0 378.441 2.481 20 0 GEADRO CSC1(CNC(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC[NH+](C)CC1 ZINC000589630428 652570098 /nfs/dbraw/zinc/57/00/98/652570098.db2.gz 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652580714 /nfs/dbraw/zinc/58/07/14/652580714.db2.gz FUGFTCZCGNWZHG-GOEBONIOSA-N 1 0 377.286 2.493 20 0 GEADRO Cc1cc(Br)c(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)s1 ZINC000666639433 652582353 /nfs/dbraw/zinc/58/23/53/652582353.db2.gz DTENWZYVSQGKRB-QWRGUYRKSA-N 1 0 390.347 2.416 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1oc2ccccc2c1Br ZINC000632890792 652582370 /nfs/dbraw/zinc/58/23/70/652582370.db2.gz PTKLDJDQZLBURM-GFCCVEGCSA-N 1 0 378.270 2.315 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000633043413 652583321 /nfs/dbraw/zinc/58/33/21/652583321.db2.gz IVUGJAJDBDYNEI-STQMWFEESA-N 1 0 384.322 2.104 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000633044814 652583420 /nfs/dbraw/zinc/58/34/20/652583420.db2.gz CLXQOIMKIMBBOT-GFCCVEGCSA-N 1 0 398.301 2.291 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000633045015 652583660 /nfs/dbraw/zinc/58/36/60/652583660.db2.gz IMOPWLNFMCZZOZ-LLVKDONJSA-N 1 0 386.265 2.421 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000666696785 652583995 /nfs/dbraw/zinc/58/39/95/652583995.db2.gz JRBATNBLAAFSFW-UHFFFAOYSA-N 1 0 383.290 2.286 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000666697698 652584767 /nfs/dbraw/zinc/58/47/67/652584767.db2.gz MMEZVJKYDRLDAE-INIZCTEOSA-N 1 0 383.290 2.097 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000666697734 652584783 /nfs/dbraw/zinc/58/47/83/652584783.db2.gz NNZHKOYVEXHCAE-VXGBXAGGSA-N 1 0 383.290 2.238 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCOc2ccccc2Br)C1 ZINC000592098120 652585425 /nfs/dbraw/zinc/58/54/25/652585425.db2.gz XJFAZQZEWGQNMA-CQSZACIVSA-N 1 0 385.302 2.445 20 0 GEADRO CC(C)(C)OC(=O)CC[N@H+](CC[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC000592130538 652588379 /nfs/dbraw/zinc/58/83/79/652588379.db2.gz NFDVYOVVQIHHJU-OAHLLOKOSA-N 1 0 375.531 2.024 20 0 GEADRO COC(=O)C1CCC(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000592134259 652588412 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CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000667192436 652596184 /nfs/dbraw/zinc/59/61/84/652596184.db2.gz UPZPKRUANWBXFF-LLVKDONJSA-N 1 0 381.278 2.486 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000667196599 652596595 /nfs/dbraw/zinc/59/65/95/652596595.db2.gz KHNWLJUYPQZBEB-UHFFFAOYSA-N 1 0 378.629 2.130 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000760175749 652597570 /nfs/dbraw/zinc/59/75/70/652597570.db2.gz VGNWJVNYQHPWFM-UHFFFAOYSA-N 1 0 395.301 2.333 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000592492416 652597698 /nfs/dbraw/zinc/59/76/98/652597698.db2.gz RALLUGSOMCCGOR-NHYWBVRUSA-N 1 0 388.295 2.008 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667250954 652598516 /nfs/dbraw/zinc/59/85/16/652598516.db2.gz PZBDYBNJSCQOCA-UHFFFAOYSA-N 1 0 380.645 2.296 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667259777 652599184 /nfs/dbraw/zinc/59/91/84/652599184.db2.gz OXARZIXGZKVFIG-NSHDSACASA-N 1 0 375.416 2.395 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCc2cc(Br)ccc21 ZINC000633480754 652599659 /nfs/dbraw/zinc/59/96/59/652599659.db2.gz DXKSLBBSJZZSHJ-WBVHZDCISA-N 1 0 381.314 2.442 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000592554507 652600260 /nfs/dbraw/zinc/60/02/60/652600260.db2.gz NHIWOAVQCNOIRU-JTQLQIEISA-N 1 0 393.292 2.381 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(Cl)c(Br)c1 ZINC000592554506 652600372 /nfs/dbraw/zinc/60/03/72/652600372.db2.gz NDNGTPRBUJLCMG-LBPRGKRZSA-N 1 0 375.650 2.080 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000592554941 652600405 /nfs/dbraw/zinc/60/04/05/652600405.db2.gz VOXFHUOQKDHCPW-AWEZNQCLSA-N 1 0 375.252 2.126 20 0 GEADRO COCC(C)(C)[NH+]1CCN(C(=O)c2c(C)c(Br)c[nH]c2=O)CC1 ZINC000633490718 652600553 /nfs/dbraw/zinc/60/05/53/652600553.db2.gz MWHNIZCBWUXECT-UHFFFAOYSA-N 1 0 386.290 2.041 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667312769 652601026 /nfs/dbraw/zinc/60/10/26/652601026.db2.gz UAKFNKBQEJZYRI-NSHDSACASA-N 1 0 375.416 2.347 20 0 GEADRO CSC1(CNC(=O)c2cc(Cl)ccc2-n2cncn2)CC[NH+](C)CC1 ZINC000592632988 652601481 /nfs/dbraw/zinc/60/14/81/652601481.db2.gz PIHDVEJUIIYKQG-UHFFFAOYSA-N 1 0 379.917 2.478 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667352282 652601893 /nfs/dbraw/zinc/60/18/93/652601893.db2.gz GPDQMCGABQCCMG-JTQLQIEISA-N 1 0 380.645 2.280 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000667375940 652602947 /nfs/dbraw/zinc/60/29/47/652602947.db2.gz DPEJQZGNIMVDJC-SNVBAGLBSA-N 1 0 381.274 2.491 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000667422887 652604770 /nfs/dbraw/zinc/60/47/70/652604770.db2.gz BBCBLMCISYTVPO-AWEZNQCLSA-N 1 0 382.302 2.479 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1oc2ccccc2c1Br ZINC000633639162 652605081 /nfs/dbraw/zinc/60/50/81/652605081.db2.gz NBGIVJPVMLPUIW-UHFFFAOYSA-N 1 0 396.285 2.287 20 0 GEADRO COc1cc(OC)c(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000667436287 652605589 /nfs/dbraw/zinc/60/55/89/652605589.db2.gz MECPZISGDLXBOD-XPTSAGLGSA-N 1 0 388.262 2.046 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(F)cc1Br ZINC000667473098 652606913 /nfs/dbraw/zinc/60/69/13/652606913.db2.gz OQCSLADSGXCHEU-CWSCBRNRSA-N 1 0 384.249 2.031 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000667474900 652607325 /nfs/dbraw/zinc/60/73/25/652607325.db2.gz BGLJDVIHKJXBBC-HNNXBMFYSA-N 1 0 386.677 2.253 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000667515190 652609485 /nfs/dbraw/zinc/60/94/85/652609485.db2.gz BRINJNOPYUQWKC-UHFFFAOYSA-N 1 0 376.201 2.006 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N[C@@H]1CCC[NH2+]CC1 ZINC000667517415 652609980 /nfs/dbraw/zinc/60/99/80/652609980.db2.gz HBPWPLSSVMLVFR-GFCCVEGCSA-N 1 0 379.262 2.293 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000592963814 652610242 /nfs/dbraw/zinc/61/02/42/652610242.db2.gz MKQSLAVYQKWFRR-NSHDSACASA-N 1 0 399.925 2.431 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667517643 652610178 /nfs/dbraw/zinc/61/01/78/652610178.db2.gz ZKCAKRXCFGUTOP-YPMHNXCESA-N 1 0 391.273 2.246 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[NH2+]1 ZINC000667518418 652610437 /nfs/dbraw/zinc/61/04/37/652610437.db2.gz AJGFCNPIXQNNGX-CYBMUJFWSA-N 1 0 388.693 2.497 20 0 GEADRO CCCS(=O)(=O)Nc1cccc(NC(=S)NCC2CC[NH+](C)CC2)c1 ZINC000760493469 652611260 /nfs/dbraw/zinc/61/12/60/652611260.db2.gz OOVVOTLHZILQAU-UHFFFAOYSA-N 1 0 384.571 2.467 20 0 GEADRO COCC[S@](=O)Cc1cccc(NC(=S)NCC2CC[NH+](C)CC2)c1 ZINC000760491387 652611431 /nfs/dbraw/zinc/61/14/31/652611431.db2.gz BTIIUMYLVWSQCG-VWLOTQADSA-N 1 0 383.583 2.210 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667540450 652611517 /nfs/dbraw/zinc/61/15/17/652611517.db2.gz LBGJSZSIYILFDR-ZANVPECISA-N 1 0 386.677 2.251 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1F ZINC000667540755 652611931 /nfs/dbraw/zinc/61/19/31/652611931.db2.gz SNGLEUHNUOGROE-ZWNOBZJWSA-N 1 0 384.249 2.046 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)CC[C@@H]1[NH3+] ZINC000667545454 652612208 /nfs/dbraw/zinc/61/22/08/652612208.db2.gz YBOIRNPHENYVND-GWCFXTLKSA-N 1 0 386.265 2.421 20 0 GEADRO O=C1CC[C@@H](C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)N1 ZINC000593031787 652612447 /nfs/dbraw/zinc/61/24/47/652612447.db2.gz NTSURGBIHKODJR-HIFRSBDPSA-N 1 0 384.261 2.434 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[C@H]1[NH3+] ZINC000667546205 652612476 /nfs/dbraw/zinc/61/24/76/652612476.db2.gz GISVSPKLFGTVAO-QPUJVOFHSA-N 1 0 390.228 2.252 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[C@@H]1[NH3+] ZINC000667549004 652612518 /nfs/dbraw/zinc/61/25/18/652612518.db2.gz ZGGRHQGTSLQCGK-PELKAZGASA-N 1 0 390.228 2.252 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[C@@H]1[NH3+] ZINC000667546796 652612627 /nfs/dbraw/zinc/61/26/27/652612627.db2.gz RPFGNBZEFMGVFQ-KOLCDFICSA-N 1 0 375.803 2.466 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000667549958 652612876 /nfs/dbraw/zinc/61/28/76/652612876.db2.gz CAXNLOFUYBJJNN-DGCLKSJQSA-N 1 0 398.301 2.372 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)cn1 ZINC000633768723 652612846 /nfs/dbraw/zinc/61/28/46/652612846.db2.gz KFTNBWPXENCZKS-USXIJHARSA-N 1 0 389.297 2.275 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000667559497 652613167 /nfs/dbraw/zinc/61/31/67/652613167.db2.gz OOKGHBYWAOSNBH-SSDOTTSWSA-N 1 0 385.358 2.465 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667555372 652613331 /nfs/dbraw/zinc/61/33/31/652613331.db2.gz FIYLRGIQORVVDE-CPCISQLKSA-N 1 0 392.656 2.437 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667576985 652613773 /nfs/dbraw/zinc/61/37/73/652613773.db2.gz GHSUCIHHELZECR-HNNXBMFYSA-N 1 0 375.416 2.477 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000667584579 652614332 /nfs/dbraw/zinc/61/43/32/652614332.db2.gz VRMARGSUTKFNEX-WPRPVWTQSA-N 1 0 381.757 2.456 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1Br ZINC000667631157 652615875 /nfs/dbraw/zinc/61/58/75/652615875.db2.gz PYWZWEAVDYBKKX-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000667675675 652617128 /nfs/dbraw/zinc/61/71/28/652617128.db2.gz RDNSYCBAFXHVEQ-WDEREUQCSA-N 1 0 379.873 2.141 20 0 GEADRO Cc1cccc(Br)c1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000633889061 652618900 /nfs/dbraw/zinc/61/89/00/652618900.db2.gz VKUNVNXFJJZOJL-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO Cc1cccc(Br)c1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000633889078 652618923 /nfs/dbraw/zinc/61/89/23/652618923.db2.gz VKUNVNXFJJZOJL-ZDUSSCGKSA-N 1 0 382.302 2.075 20 0 GEADRO CCC1([NH+]2CCCC2)CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000633952507 652622692 /nfs/dbraw/zinc/62/26/92/652622692.db2.gz ADKQLSQZWGBAMG-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3nscc3Br)C2)CC1 ZINC000593519988 652623601 /nfs/dbraw/zinc/62/36/01/652623601.db2.gz KQNOEARVHRAHFV-LBPRGKRZSA-N 1 0 387.347 2.146 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000593529487 652624502 /nfs/dbraw/zinc/62/45/02/652624502.db2.gz CCJQRWRBASYYPW-UHFFFAOYSA-N 1 0 388.917 2.035 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000760855715 652626088 /nfs/dbraw/zinc/62/60/88/652626088.db2.gz BELKVQKDULCJLX-LLVKDONJSA-N 1 0 389.930 2.339 20 0 GEADRO COc1cc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c(Cl)cc1Br ZINC000668035410 652626240 /nfs/dbraw/zinc/62/62/40/652626240.db2.gz LCSNCUZXHQUOOC-AWEZNQCLSA-N 1 0 392.681 2.299 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000593670876 652630665 /nfs/dbraw/zinc/63/06/65/652630665.db2.gz YAZWNVCMUKWFDU-BJHJDKERSA-N 1 0 399.285 2.053 20 0 GEADRO C[NH+]1CCC(n2cc(NC(=O)CCn3cc(Br)cn3)cn2)CC1 ZINC000634092011 652630762 /nfs/dbraw/zinc/63/07/62/652630762.db2.gz XBULXLZFZYQPQG-UHFFFAOYSA-N 1 0 381.278 2.138 20 0 GEADRO CCCCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000668224558 652633475 /nfs/dbraw/zinc/63/34/75/652633475.db2.gz QGFVFRIKSAOATD-OAHLLOKOSA-N 1 0 375.579 2.382 20 0 GEADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)NC[C@H]1CCCC[NH2+]1 ZINC000634298595 652636215 /nfs/dbraw/zinc/63/62/15/652636215.db2.gz VNVRPLKYVOFKKK-CYBMUJFWSA-N 1 0 394.273 2.440 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)C[C@H]1[NH+](C)C ZINC000594151055 652641386 /nfs/dbraw/zinc/64/13/86/652641386.db2.gz DVSMTFFSSHUZOC-CABCVRRESA-N 1 0 379.917 3.035 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)C[C@@H]1[NH+](C)C ZINC000594151059 652641456 /nfs/dbraw/zinc/64/14/56/652641456.db2.gz DVSMTFFSSHUZOC-GJZGRUSLSA-N 1 0 379.917 3.035 20 0 GEADRO CCN(C(=O)C(=O)NCc1ccc(Br)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000668435035 652641772 /nfs/dbraw/zinc/64/17/72/652641772.db2.gz YTPWOZLZCGPARH-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO CCN(C(=O)C(=O)NCc1ccc(Br)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000668435036 652641900 /nfs/dbraw/zinc/64/19/00/652641900.db2.gz YTPWOZLZCGPARH-OAHLLOKOSA-N 1 0 382.302 2.008 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000668435362 652642090 /nfs/dbraw/zinc/64/20/90/652642090.db2.gz DRRHWEVMURMGFF-ZETCQYMHSA-N 1 0 399.182 2.456 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCn1cc(Br)ccc1=O ZINC000594192707 652642420 /nfs/dbraw/zinc/64/24/20/652642420.db2.gz DNQOSVFPVNNEIF-KBPBESRZSA-N 1 0 384.318 2.380 20 0 GEADRO CCN(C(=O)C(=O)NCCc1ccc(Br)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000668459272 652643102 /nfs/dbraw/zinc/64/31/02/652643102.db2.gz DJYYXMYBCNVQMK-INIZCTEOSA-N 1 0 396.329 2.051 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668507809 652645517 /nfs/dbraw/zinc/64/55/17/652645517.db2.gz RBISSMMDQADDMF-ILXRZTDVSA-N 1 0 376.316 2.172 20 0 GEADRO COc1ccc(Br)cc1C[N@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000634636449 652645566 /nfs/dbraw/zinc/64/55/66/652645566.db2.gz CUZASTLKQUHCGB-HNNXBMFYSA-N 1 0 388.302 2.182 20 0 GEADRO O[C@H](C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)CC1(O)CCOCC1 ZINC000634644008 652646487 /nfs/dbraw/zinc/64/64/87/652646487.db2.gz MXIDKXIEMGMNLM-SRVKXCTJSA-N 1 0 379.341 2.342 20 0 GEADRO CCOCC[NH+]1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645445 652646935 /nfs/dbraw/zinc/64/69/35/652646935.db2.gz NDSGIKTVCMNVMH-INIZCTEOSA-N 1 0 377.312 2.387 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594448474 652650594 /nfs/dbraw/zinc/65/05/94/652650594.db2.gz KQRJFUNBXJEWSX-JTQLQIEISA-N 1 0 380.869 2.274 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1cc(F)c(F)cc1I)C(F)(F)F ZINC000594450712 652652190 /nfs/dbraw/zinc/65/21/90/652652190.db2.gz SPPPVLRXJORBMB-MRVPVSSYSA-N 1 0 394.081 2.189 20 0 GEADRO CCN(C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000668610885 652652922 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390.709 2.403 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2I)CC[C@H]1F ZINC000595229781 652708399 /nfs/dbraw/zinc/70/83/99/652708399.db2.gz NIONYPDFCPLVRD-LHLIQPBNSA-N 1 0 399.154 2.472 20 0 GEADRO O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000762629244 652708514 /nfs/dbraw/zinc/70/85/14/652708514.db2.gz LRCQOSZJBYTSPT-UUAJXVIYSA-N 1 0 385.599 2.043 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595232025 652709017 /nfs/dbraw/zinc/70/90/17/652709017.db2.gz PNLXGGDFATWHRN-MWLCHTKSSA-N 1 0 392.200 2.278 20 0 GEADRO CCOC(=O)CSc1nnc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)s1 ZINC000595253227 652710579 /nfs/dbraw/zinc/71/05/79/652710579.db2.gz KAEWYQMOJOIOCK-LBPRGKRZSA-N 1 0 378.479 2.366 20 0 GEADRO COC(=O)[C@@H](NC(=O)COC1CCC([NH3+])CC1)c1ccccc1Br ZINC000595256009 652710709 /nfs/dbraw/zinc/71/07/09/652710709.db2.gz IYIRMJAQBBHGAU-PPUFBPAQSA-N 1 0 399.285 2.066 20 0 GEADRO O=C(C[NH2+][C@H]1CCOc2c(Br)cccc21)N1CCOC[C@H]1C1CC1 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ZINC000598683305 652828099 /nfs/dbraw/zinc/82/80/99/652828099.db2.gz RERXMESOTWOMNE-IAQYHMDHSA-N 1 0 385.249 2.043 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc3c(cc2Br)OCO3)C[C@H]1[NH+](C)C ZINC000598692937 652828626 /nfs/dbraw/zinc/82/86/26/652828626.db2.gz BCOPROJKYFBRBT-BXUZGUMPSA-N 1 0 387.299 2.295 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ncc(Br)cn3n2)[C@@H](C)C1 ZINC000636907431 652829096 /nfs/dbraw/zinc/82/90/96/652829096.db2.gz BZYZCGJZCJYWDZ-FZMZJTMJSA-N 1 0 380.290 2.294 20 0 GEADRO C[NH+](C)C1CC(NC(=O)c2cc(I)c(F)cc2F)C1 ZINC000598716265 652831129 /nfs/dbraw/zinc/83/11/29/652831129.db2.gz FXAGNIFXTRZJMH-UHFFFAOYSA-N 1 0 380.176 2.392 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000636957616 652831740 /nfs/dbraw/zinc/83/17/40/652831740.db2.gz ALCGBCXPHBCROY-NSHDSACASA-N 1 0 377.432 2.231 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)N(CCO)Cc1ccc(Br)s1 ZINC000636988069 652833812 /nfs/dbraw/zinc/83/38/12/652833812.db2.gz GBFNMDIVKAVZHW-LLVKDONJSA-N 1 0 376.320 2.157 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccccc1Br)NC[C@H]1CCCC[NH2+]1 ZINC000636988321 652833932 /nfs/dbraw/zinc/83/39/32/652833932.db2.gz IACGKVPMFACHCH-UKRRQHHQSA-N 1 0 384.318 2.041 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000765289698 652835417 /nfs/dbraw/zinc/83/54/17/652835417.db2.gz FMLFVVIKLDPDCA-WFASDCNBSA-N 1 0 380.432 2.435 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)C[C@H]2COC(=O)C2)CC1 ZINC000765307527 652836283 /nfs/dbraw/zinc/83/62/83/652836283.db2.gz NRDOYDSHSHKYBH-GFCCVEGCSA-N 1 0 396.285 2.093 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)s1 ZINC000672421581 652837837 /nfs/dbraw/zinc/83/78/37/652837837.db2.gz PBHKIVDNACIGID-VNHYZAJKSA-N 1 0 385.555 2.193 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000672428502 652838689 /nfs/dbraw/zinc/83/86/89/652838689.db2.gz QXMITUBYHNDPHI-INIZCTEOSA-N 1 0 382.913 2.456 20 0 GEADRO CC1(C)CN(C(=O)NCc2cc(Br)cs2)CC[N@@H+]1CCO ZINC000672741137 652841820 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CSC1(CNC(=O)NC[C@@H](n2cccn2)C(F)(F)F)CC[NH+](C)CC1 ZINC000599064152 652847215 /nfs/dbraw/zinc/84/72/15/652847215.db2.gz CJHVXYDIBWRUKJ-GFCCVEGCSA-N 1 0 379.452 2.113 20 0 GEADRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(F)c(I)c1 ZINC000599093782 652849326 /nfs/dbraw/zinc/84/93/26/652849326.db2.gz SBZPUMLRYDPDOM-JQWIXIFHSA-N 1 0 378.229 2.148 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1I ZINC000599105705 652850031 /nfs/dbraw/zinc/85/00/31/652850031.db2.gz PVOZCZSGNLIJNE-QWRGUYRKSA-N 1 0 394.278 2.018 20 0 GEADRO C[C@H](NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000672961504 652852369 /nfs/dbraw/zinc/85/23/69/652852369.db2.gz CWDWVOGJMLRHJF-XZJROXQQSA-N 1 0 390.311 2.435 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl)[C@H]1CN(C)CCO1 ZINC000673032502 652853500 /nfs/dbraw/zinc/85/35/00/652853500.db2.gz YYYYHELOGUPMEZ-MISXGVKJSA-N 1 0 388.295 2.006 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000637407105 652856954 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375.300 2.405 20 0 GEADRO COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637473561 652862225 /nfs/dbraw/zinc/86/22/25/652862225.db2.gz LBMAHOJFJUHKST-IOASZLSFSA-N 1 0 390.311 2.387 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NC[C@H](O)[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000637473121 652862335 /nfs/dbraw/zinc/86/23/35/652862335.db2.gz IIZXSRNNHBEYJW-JYJNAYRXSA-N 1 0 390.311 2.435 20 0 GEADRO COCC[C@@H](CO)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637474805 652862782 /nfs/dbraw/zinc/86/27/82/652862782.db2.gz RLLVHPTWSCRUJE-WFASDCNBSA-N 1 0 378.300 2.293 20 0 GEADRO Ic1cnc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC000766060758 652863998 /nfs/dbraw/zinc/86/39/98/652863998.db2.gz VNHJZOUDTSTCMO-ZDUSSCGKSA-N 1 0 388.253 2.137 20 0 GEADRO CSCCCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766075998 652865167 /nfs/dbraw/zinc/86/51/67/652865167.db2.gz OCBLHLMTMVEBFF-ZDUSSCGKSA-N 1 0 394.584 2.206 20 0 GEADRO CSCC[C@@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766083032 652866059 /nfs/dbraw/zinc/86/60/59/652866059.db2.gz JWYYZCGXWJJQQJ-CHWSQXEVSA-N 1 0 394.584 2.204 20 0 GEADRO COC(=O)[C@H]1CN(Cc2ccc(Br)c(F)c2F)CC[N@H+](C)C1 ZINC000599438873 652871966 /nfs/dbraw/zinc/87/19/66/652871966.db2.gz SJIOJZMYZIQSJC-LLVKDONJSA-N 1 0 377.229 2.264 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000599463586 652874196 /nfs/dbraw/zinc/87/41/96/652874196.db2.gz GNBFMDWKPQDMTO-OAHLLOKOSA-N 1 0 386.901 2.422 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000637822171 652874649 /nfs/dbraw/zinc/87/46/49/652874649.db2.gz GYEMVMQGLBUFJM-CVEARBPZSA-N 1 0 394.313 2.151 20 0 GEADRO C[NH2+]C1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 ZINC000637837355 652875181 /nfs/dbraw/zinc/87/51/81/652875181.db2.gz FFRPZIFJEQMHTK-MRXNPFEDSA-N 1 0 394.313 2.151 20 0 GEADRO COC[C@@]1(C(=O)N(C)CC(=O)Nc2ccccc2Br)CCCC[NH2+]1 ZINC000637883390 652876478 /nfs/dbraw/zinc/87/64/78/652876478.db2.gz FOSCSRLVLCSJIX-QGZVFWFLSA-N 1 0 398.301 2.005 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CCC(C)C)s1 ZINC000637899801 652877281 /nfs/dbraw/zinc/87/72/81/652877281.db2.gz SGONTCMXFHBTKC-AWEZNQCLSA-N 1 0 375.560 2.158 20 0 GEADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000637935932 652878094 /nfs/dbraw/zinc/87/80/94/652878094.db2.gz CNHQCZCXCQDDSX-RLFDGXBXSA-N 1 0 399.285 2.165 20 0 GEADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000637948418 652878685 /nfs/dbraw/zinc/87/86/85/652878685.db2.gz NAOGGOVFDWDXPB-ZMSDIMECSA-N 1 0 383.286 2.116 20 0 GEADRO CN(CCOCC[NH3+])C(=O)Nc1ccc(I)cc1Cl ZINC000599599113 652879176 /nfs/dbraw/zinc/87/91/76/652879176.db2.gz IWXQOQQLHDYZGL-UHFFFAOYSA-N 1 0 397.644 2.384 20 0 GEADRO [NH3+]CCCOCCNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000599598126 652879228 /nfs/dbraw/zinc/87/92/28/652879228.db2.gz PYMYTSJLCBHSHJ-UHFFFAOYSA-N 1 0 399.179 2.056 20 0 GEADRO CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@@H]1CCCO1 ZINC000637967688 652879623 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CS[C@@H]1CN(C(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)C[C@@H]1[NH+](C)C ZINC000599719532 652885239 /nfs/dbraw/zinc/88/52/39/652885239.db2.gz AFBCYWAXRBLPEA-GRYCIOLGSA-N 1 0 376.448 2.283 20 0 GEADRO Cc1cc(C[NH3+])oc1C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000638297812 652885310 /nfs/dbraw/zinc/88/53/10/652885310.db2.gz AQLDYKOOMPLDMR-CQSZACIVSA-N 1 0 392.253 2.123 20 0 GEADRO NS(=O)(=O)c1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000638345435 652886550 /nfs/dbraw/zinc/88/65/50/652886550.db2.gz SBORECKDGKYESP-UHFFFAOYSA-N 1 0 379.551 2.192 20 0 GEADRO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638382170 652887769 /nfs/dbraw/zinc/88/77/69/652887769.db2.gz SRTPQHYFPJHQLK-JTQLQIEISA-N 1 0 392.223 2.466 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3c(F)cncc3Br)C2)C1 ZINC000638385880 652888026 /nfs/dbraw/zinc/88/80/26/652888026.db2.gz WTNDFAXNJZRDSY-WDMOLILDSA-N 1 0 386.265 2.342 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638401482 652888151 /nfs/dbraw/zinc/88/81/51/652888151.db2.gz BSLSHGAXDJGEPC-CQSZACIVSA-N 1 0 382.302 2.136 20 0 GEADRO CCN(CC[NH3+])C(=O)NCc1cc(Cl)cc(I)c1 ZINC000599923461 652892537 /nfs/dbraw/zinc/89/25/37/652892537.db2.gz GTSCPPGIMPEIJF-UHFFFAOYSA-N 1 0 381.645 2.435 20 0 GEADRO Cc1sc2nc(C)nc(SCC(=O)NCC3([NH3+])CCOCC3)c2c1C ZINC000638538037 652893384 /nfs/dbraw/zinc/89/33/84/652893384.db2.gz ILSYOABFYPNDFA-UHFFFAOYSA-N 1 0 380.539 2.333 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)CC[C@@H]1C(F)(F)F ZINC000638552902 652894462 /nfs/dbraw/zinc/89/44/62/652894462.db2.gz ZOXBBVZYINVIMJ-IUCAKERBSA-N 1 0 382.180 2.149 20 0 GEADRO CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000638557924 652894508 /nfs/dbraw/zinc/89/45/08/652894508.db2.gz LPVQKUYJHLJERR-OCCSQVGLSA-N 1 0 378.416 2.080 20 0 GEADRO C[NH2+]CCOCCNC(=O)CCOc1ccc(Cl)cc1Br ZINC000638580071 652895919 /nfs/dbraw/zinc/89/59/19/652895919.db2.gz BJHUZRMWLVKILC-UHFFFAOYSA-N 1 0 379.682 2.224 20 0 GEADRO [NH3+]CCn1cc(C(=O)N[C@@H]2CCCSc3ccc(Br)cc32)nn1 ZINC000638585601 652896236 /nfs/dbraw/zinc/89/62/36/652896236.db2.gz CJYFHYGRLGTYGC-GFCCVEGCSA-N 1 0 396.314 2.356 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000638590188 652896450 /nfs/dbraw/zinc/89/64/50/652896450.db2.gz QRLQBWGQHCQJRZ-UHFFFAOYSA-N 1 0 395.301 2.251 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000638622310 652899208 /nfs/dbraw/zinc/89/92/08/652899208.db2.gz WLPBSTONWNAORC-ZDUSSCGKSA-N 1 0 395.253 2.339 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)c2ncc(Br)cc2Br)C[NH2+]1 ZINC000638640996 652900457 /nfs/dbraw/zinc/90/04/57/652900457.db2.gz DQESYGZKAJVYFI-APPZFPTMSA-N 1 0 377.080 2.477 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638637634 652900415 /nfs/dbraw/zinc/90/04/15/652900415.db2.gz UMLOWTCYMJDCDS-BXUZGUMPSA-N 1 0 380.290 2.228 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C[NH2+]1 ZINC000638648014 652901096 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C[C@@H]1C[NH+](CCCCNC(=O)CCn2cc(Br)cn2)C[C@@H](C)O1 ZINC000674733390 652910573 /nfs/dbraw/zinc/91/05/73/652910573.db2.gz YFRDGQZPVLUMLN-ZIAGYGMSSA-N 1 0 387.322 2.041 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)C1 ZINC000674752607 652911129 /nfs/dbraw/zinc/91/11/29/652911129.db2.gz GPOKIXIFKVSEFS-VWYCJHECSA-N 1 0 382.370 2.331 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCN(C(=O)c3c[nH]c4cccc(Br)c34)C2)nn1 ZINC000638908119 652911804 /nfs/dbraw/zinc/91/18/04/652911804.db2.gz WBJQNJRNHPXBNQ-LLVKDONJSA-N 1 0 389.257 2.068 20 0 GEADRO O=C(c1nnn(-c2ccc(Br)cc2)c1C1CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913308 652912593 /nfs/dbraw/zinc/91/25/93/652912593.db2.gz PALRBKBJTGFJGP-JSGCOSHPSA-N 1 0 388.269 2.094 20 0 GEADRO C[N@@H+]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C(C)(C)C1 ZINC000767129759 652912992 /nfs/dbraw/zinc/91/29/92/652912992.db2.gz ZHGLVLSICVUTBD-UHFFFAOYSA-N 1 0 379.917 2.440 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638923076 652913898 /nfs/dbraw/zinc/91/38/98/652913898.db2.gz NXZKMOGHBBXNDL-KFWWJZLASA-N 1 0 382.551 2.314 20 0 GEADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638941992 652914190 /nfs/dbraw/zinc/91/41/90/652914190.db2.gz BGMPROXUUBHWQF-WKELDVRXSA-N 1 0 387.281 2.317 20 0 GEADRO COC[C@]1(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CCCC[NH2+]1 ZINC000638943119 652914441 /nfs/dbraw/zinc/91/44/41/652914441.db2.gz PGVPICGBENHGAB-LHHMISFZSA-N 1 0 379.298 2.362 20 0 GEADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638941990 652914448 /nfs/dbraw/zinc/91/44/48/652914448.db2.gz BGMPROXUUBHWQF-HIWQICSCSA-N 1 0 387.281 2.317 20 0 GEADRO CN1CC[C@](O)(C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000639049073 652917658 /nfs/dbraw/zinc/91/76/58/652917658.db2.gz HKPROKZDYHYGBH-KSZLIROESA-N 1 0 382.346 2.241 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCCNC(=O)C3)C2=O)ccc1Br ZINC000639051579 652917688 /nfs/dbraw/zinc/91/76/88/652917688.db2.gz FUPGYMUILQDKMB-WFASDCNBSA-N 1 0 380.286 2.121 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)[C@@]12CCCO2 ZINC000639063140 652918106 /nfs/dbraw/zinc/91/81/06/652918106.db2.gz ZKSGAAHPWVWPIP-FMKPAKJESA-N 1 0 381.274 2.308 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)s1 ZINC000639105797 652919099 /nfs/dbraw/zinc/91/90/99/652919099.db2.gz RMELTAXUABNYEH-OAHLLOKOSA-N 1 0 397.591 2.103 20 0 GEADRO C[C@H]1C[N@H+](CCCNCc2cnn3cc(Br)cnc23)CCCO1 ZINC000639120031 652919898 /nfs/dbraw/zinc/91/98/98/652919898.db2.gz LAMGPMXATMYMNN-ZDUSSCGKSA-N 1 0 382.306 2.082 20 0 GEADRO CO[C@@H](C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)[C@H]1CCOC1 ZINC000639146272 652922594 /nfs/dbraw/zinc/92/25/94/652922594.db2.gz CKRJGARYHUCTMQ-WFASDCNBSA-N 1 0 381.416 2.250 20 0 GEADRO Nc1nccc([C@H]2CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)n1 ZINC000639145583 652922609 /nfs/dbraw/zinc/92/26/09/652922609.db2.gz SUMQSDXEKHBOKP-NSHDSACASA-N 1 0 388.273 2.244 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000639194039 652926293 /nfs/dbraw/zinc/92/62/93/652926293.db2.gz SZFLGCYXJLQHCT-UHFFFAOYSA-N 1 0 379.448 2.106 20 0 GEADRO OCc1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cc1 ZINC000639241141 652927553 /nfs/dbraw/zinc/92/75/53/652927553.db2.gz HWGVFLDRBCEIJO-UHFFFAOYSA-N 1 0 378.270 2.785 20 0 GEADRO CO[C@H](C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)[C@@H]1CCOC1 ZINC000639251250 652928472 /nfs/dbraw/zinc/92/84/72/652928472.db2.gz ILLSQFJARSRGOF-OGHNNQOOSA-N 1 0 390.293 2.380 20 0 GEADRO OC[C@@]1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCc2ccccc21 ZINC000639287235 652930641 /nfs/dbraw/zinc/93/06/41/652930641.db2.gz BGVLHWOIHNMZTK-SFHVURJKSA-N 1 0 387.281 2.458 20 0 GEADRO CN(CC[NH+]1CCCCC1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639297791 652931252 /nfs/dbraw/zinc/93/12/52/652931252.db2.gz WPGJNRVTSDRSLN-UHFFFAOYSA-N 1 0 390.347 2.014 20 0 GEADRO C[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)N1C[C@@H](C)O[C@@H](C)C1 ZINC000639313529 652931619 /nfs/dbraw/zinc/93/16/19/652931619.db2.gz WZFAEKKJJDMBIN-UPJWGTAASA-N 1 0 382.306 2.079 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cccc2nsnc21)[N@H+](C)Cc1ccccc1 ZINC000600770687 652932758 /nfs/dbraw/zinc/93/27/58/652932758.db2.gz NCEFDISALWEIJA-ZDUSSCGKSA-N 1 0 376.507 2.490 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)cc1 ZINC000639354470 652933802 /nfs/dbraw/zinc/93/38/02/652933802.db2.gz HLQNPMIRFOGRES-AWEZNQCLSA-N 1 0 383.876 2.495 20 0 GEADRO C[N@H+](C[C@H](O)CC1(O)CCOCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000639459303 652937096 /nfs/dbraw/zinc/93/70/96/652937096.db2.gz IJSDQUDAWJYXJM-CSMYWGQOSA-N 1 0 390.307 2.176 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)cc1Br ZINC000675745621 652939570 /nfs/dbraw/zinc/93/95/70/652939570.db2.gz USFMJFKOXMSZCR-NSHDSACASA-N 1 0 379.320 2.390 20 0 GEADRO Cc1ncc(CNC(=O)CC[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)s1 ZINC000639544803 652941334 /nfs/dbraw/zinc/94/13/34/652941334.db2.gz MUHIDIIRDSITHZ-UHFFFAOYSA-N 1 0 375.420 2.342 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccc(C)c(Cl)c2)c1 ZINC000767691774 652942425 /nfs/dbraw/zinc/94/24/25/652942425.db2.gz UJGZUOHPDRVPJB-UHFFFAOYSA-N 1 0 381.885 2.285 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cnc1Cl ZINC000767726337 652946481 /nfs/dbraw/zinc/94/64/81/652946481.db2.gz HJARVOCFHYKINU-CQSZACIVSA-N 1 0 383.901 2.195 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764578 652952691 /nfs/dbraw/zinc/95/26/91/652952691.db2.gz HCNZQUNVSHWQIN-GUYCJALGSA-N 1 0 384.318 2.165 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000601269888 653084234 /nfs/dbraw/zinc/08/42/34/653084234.db2.gz GLQCCEJVNXZUMA-ZIAGYGMSSA-N 1 0 381.318 2.421 20 0 GEADRO O=C(C[N@@H+]1CCC[C@@H](n2ccnn2)CC1)Nc1ccc(Br)cn1 ZINC000639845420 653086540 /nfs/dbraw/zinc/08/65/40/653086540.db2.gz VKWQAOTXGONGJB-CYBMUJFWSA-N 1 0 379.262 2.101 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1F ZINC000601352430 653087961 /nfs/dbraw/zinc/08/79/61/653087961.db2.gz UVULQSZHZUNRAX-MFKMUULPSA-N 1 0 390.864 2.028 20 0 GEADRO CO[C@@H]1CN(Cc2nnc(-c3ccccc3Br)o2)[C@](C)(CO)C1 ZINC000639999190 653092813 /nfs/dbraw/zinc/09/28/13/653092813.db2.gz XGPUHZXBEFCWNC-ZBEGNZNMSA-N 1 0 382.258 2.471 20 0 GEADRO CO[C@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)[C@](C)(CO)C1 ZINC000639997816 653092844 /nfs/dbraw/zinc/09/28/44/653092844.db2.gz OKOTWGKHZLJGEX-CJNGLKHVSA-N 1 0 382.258 2.471 20 0 GEADRO Cc1nn(C)c(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1Br ZINC000640166161 653100270 /nfs/dbraw/zinc/10/02/70/653100270.db2.gz YLNRKEWTKJUVSQ-ZDUSSCGKSA-N 1 0 376.324 2.050 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)s3)CC2)C1 ZINC000676639480 653102458 /nfs/dbraw/zinc/10/24/58/653102458.db2.gz YACMOXGNAYSPIZ-OAHLLOKOSA-N 1 0 385.599 2.446 20 0 GEADRO COc1ccc(I)c(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000601558819 653111362 /nfs/dbraw/zinc/11/13/62/653111362.db2.gz KSUZTESFIJBGME-BDAKNGLRSA-N 1 0 375.210 2.253 20 0 GEADRO O=C(Nc1ccc(F)cc1I)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601558250 653111504 /nfs/dbraw/zinc/11/15/04/653111504.db2.gz DMXVPNVOHTWFKY-AOOOYVTPSA-N 1 0 375.185 2.398 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2nn(C)cc2Br)C1 ZINC000640308282 653113201 /nfs/dbraw/zinc/11/32/01/653113201.db2.gz NMLXHYSIMFZPBV-STQMWFEESA-N 1 0 386.338 3.062 20 0 GEADRO C[C@H](CNC(=O)Nc1nn(C)cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000640308984 653113973 /nfs/dbraw/zinc/11/39/73/653113973.db2.gz UHXKCODVXIOAGO-GFCCVEGCSA-N 1 0 392.301 2.751 20 0 GEADRO C[C@H](NC(=O)Nc1nn(C)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000640311805 653115863 /nfs/dbraw/zinc/11/58/63/653115863.db2.gz ICKLUIHULRENSJ-RYUDHWBXSA-N 1 0 384.322 2.957 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000771573999 653116440 /nfs/dbraw/zinc/11/64/40/653116440.db2.gz GCAFGKOOKZNLDM-UHFFFAOYSA-N 1 0 378.274 2.196 20 0 GEADRO Cn1cc(Br)c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000640312377 653116911 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387.571 2.344 20 0 GEADRO Brc1ccc(C[NH2+]CCCn2cncn2)c(N2CCOCC2)c1 ZINC000682731146 653222723 /nfs/dbraw/zinc/22/27/23/653222723.db2.gz CLZJTSIFSGXANN-UHFFFAOYSA-N 1 0 380.290 2.057 20 0 GEADRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3ncsc3Br)C2)CC1 ZINC000641579451 653222751 /nfs/dbraw/zinc/22/27/51/653222751.db2.gz CWPCYAXWTYMHGT-UHFFFAOYSA-N 1 0 394.360 2.153 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000808222407 653222983 /nfs/dbraw/zinc/22/29/83/653222983.db2.gz GHUAQUQSDHSLDP-BLLLJJGKSA-N 1 0 386.279 2.059 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000774081585 653223399 /nfs/dbraw/zinc/22/33/99/653223399.db2.gz OXLCFRJWANQPSK-UHFFFAOYSA-N 1 0 384.322 2.302 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)s1 ZINC000641624847 653224773 /nfs/dbraw/zinc/22/47/73/653224773.db2.gz OULDVEDBGKQDIU-BBRMVZONSA-N 1 0 387.571 2.125 20 0 GEADRO COc1cc(CS(=O)(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)sn1 ZINC000641642360 653226910 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COc1cc(NC(=O)C(=O)NCCC(C)(C)[NH3+])c(Cl)cc1Br ZINC000641822048 653234551 /nfs/dbraw/zinc/23/45/51/653234551.db2.gz MKOKHQMEEPURBI-UHFFFAOYSA-N 1 0 392.681 2.293 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000641820800 653234564 /nfs/dbraw/zinc/23/45/64/653234564.db2.gz FPICPUDLPCIMIG-UHFFFAOYSA-N 1 0 392.681 2.293 20 0 GEADRO [NH3+]C/C=C/CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000641865603 653235587 /nfs/dbraw/zinc/23/55/87/653235587.db2.gz YXGZAWFACFVIFA-OWOJBTEDSA-N 1 0 395.301 2.324 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000683662273 653237166 /nfs/dbraw/zinc/23/71/66/653237166.db2.gz IDJANNJJEHVHBR-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000774462714 653238403 /nfs/dbraw/zinc/23/84/03/653238403.db2.gz MWCHTYWPIWEYJW-CORIIIEPSA-N 1 0 398.301 2.432 20 0 GEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cn1cc(Br)ccc1=O ZINC000642236555 653240732 /nfs/dbraw/zinc/24/07/32/653240732.db2.gz 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C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000633040761 653423342 /nfs/dbraw/zinc/42/33/42/653423342.db2.gz KARPXSSOHDSUJF-GXSJLCMTSA-N 1 0 382.251 2.066 20 0 GEADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)nc1F ZINC000859226683 653426023 /nfs/dbraw/zinc/42/60/23/653426023.db2.gz PKWCYKHKZDIRNI-JTQLQIEISA-N 1 0 380.283 2.088 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000778100545 653427775 /nfs/dbraw/zinc/42/77/75/653427775.db2.gz SVKAQMPHHCCEKY-QGZVFWFLSA-N 1 0 382.917 2.407 20 0 GEADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc(F)cc(Br)c1 ZINC000876471273 653430466 /nfs/dbraw/zinc/43/04/66/653430466.db2.gz CEHZYAYGTSSLMQ-INIZCTEOSA-N 1 0 389.265 2.007 20 0 GEADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(Br)cc1F ZINC000876470288 653430613 /nfs/dbraw/zinc/43/06/13/653430613.db2.gz AMILLFVMFYASBT-MRXNPFEDSA-N 1 0 389.265 2.007 20 0 GEADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876554811 653435028 /nfs/dbraw/zinc/43/50/28/653435028.db2.gz UCSVJPURBAXJDU-NHYWBVRUSA-N 1 0 389.880 2.011 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876555955 653435125 /nfs/dbraw/zinc/43/51/25/653435125.db2.gz IIRBDVRTPFREPW-PBHICJAKSA-N 1 0 380.286 2.378 20 0 GEADRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000876567093 653435986 /nfs/dbraw/zinc/43/59/86/653435986.db2.gz BOFVZPDGUIGAIR-SCZZXKLOSA-N 1 0 375.782 2.391 20 0 GEADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000876607788 653437648 /nfs/dbraw/zinc/43/76/48/653437648.db2.gz ZXYGROUTNWMHER-QADGWQRPSA-N 1 0 380.286 2.306 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1(F)F ZINC000876615647 653437980 /nfs/dbraw/zinc/43/79/80/653437980.db2.gz JYGLJBGRGNOVFB-FRRDWIJNSA-N 1 0 375.213 2.189 20 0 GEADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000876625529 653438719 /nfs/dbraw/zinc/43/87/19/653438719.db2.gz XTRNIPQFPLQTRT-AAOUONPWSA-N 1 0 381.270 2.392 20 0 GEADRO [NH3+]C[C@@]1(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)CCCOC1 ZINC000876629369 653439156 /nfs/dbraw/zinc/43/91/56/653439156.db2.gz ZVQQQALSRPKTNQ-WBVHZDCISA-N 1 0 383.286 2.105 20 0 GEADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000876641792 653440736 /nfs/dbraw/zinc/44/07/36/653440736.db2.gz SWIRRQDIQHXZHV-BTBCPRSTSA-N 1 0 390.285 2.262 20 0 GEADRO CCN(C(=O)c1sc(C2CC[NH2+]CC2)nc1C)[C@@H](C)CS(=O)(=O)CC ZINC000876660241 653441482 /nfs/dbraw/zinc/44/14/82/653441482.db2.gz AOEPMWDIGXISSD-LBPRGKRZSA-N 1 0 387.571 2.204 20 0 GEADRO CN(C(=O)c1csc(C2CC[NH2+]CC2)n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000876680159 653442466 /nfs/dbraw/zinc/44/24/66/653442466.db2.gz ALSJTSMCIDVAQQ-CABCVRRESA-N 1 0 385.555 2.038 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1(F)F ZINC000876732787 653444612 /nfs/dbraw/zinc/44/46/12/653444612.db2.gz GKTONBZFYJWYPK-ZLKJLUDKSA-N 1 0 388.256 2.232 20 0 GEADRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)CSc1nnnn1CC(F)(F)F ZINC000837509139 653445014 /nfs/dbraw/zinc/44/50/14/653445014.db2.gz QCSLKSBMSBRQFI-NSHDSACASA-N 1 0 381.424 2.134 20 0 GEADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1c(Br)nnn1C ZINC000812845401 653445194 /nfs/dbraw/zinc/44/51/94/653445194.db2.gz DJPZRORKEWXOMK-TZMCWYRMSA-N 1 0 390.285 2.334 20 0 GEADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876736836 653445474 /nfs/dbraw/zinc/44/54/74/653445474.db2.gz OJXDRGIQCJRTIF-ZENOOKHLSA-N 1 0 384.293 2.339 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000812955345 653446781 /nfs/dbraw/zinc/44/67/81/653446781.db2.gz GQJKZLSVRLFLDX-STQMWFEESA-N 1 0 397.317 2.470 20 0 GEADRO COC(=O)c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000876785301 653447831 /nfs/dbraw/zinc/44/78/31/653447831.db2.gz UKVUUZTUNTYUIJ-OAHLLOKOSA-N 1 0 397.313 2.390 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc2ccnc(Cl)c2s1 ZINC000876832201 653449799 /nfs/dbraw/zinc/44/97/99/653449799.db2.gz BGGSLNFFGFMOLS-GFCCVEGCSA-N 1 0 380.901 2.409 20 0 GEADRO CC[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000876850775 653450983 /nfs/dbraw/zinc/45/09/83/653450983.db2.gz BVDUIIVHDCYLKS-DLBZAZTESA-N 1 0 380.330 2.449 20 0 GEADRO CSc1ccc(/C=C\C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000876841745 653451072 /nfs/dbraw/zinc/45/10/72/653451072.db2.gz UZCHCVLXRKCEFY-QQHVMHFCSA-N 1 0 379.473 2.436 20 0 GEADRO C[C@]1(Br)C[C@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876918684 653453874 /nfs/dbraw/zinc/45/38/74/653453874.db2.gz LNQRKLPBGCFLIA-GUYCJALGSA-N 1 0 382.302 2.083 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000778739773 653455328 /nfs/dbraw/zinc/45/53/28/653455328.db2.gz RGWBEIBCTREMCJ-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO O=C(NCCC[C@H]1CC1(Cl)Cl)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000876947709 653455604 /nfs/dbraw/zinc/45/56/04/653455604.db2.gz FQJRLSFWSXEZHZ-IUCAKERBSA-N 1 0 382.242 2.454 20 0 GEADRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000876940142 653455688 /nfs/dbraw/zinc/45/56/88/653455688.db2.gz PJSXPYGOYWCNSO-GDBMZVCRSA-N 1 0 384.293 2.041 20 0 GEADRO CN1CC[C@H]([NH2+]CCS(C)(=O)=O)C[C@H]1c1ccc(Br)cc1 ZINC000876976209 653457555 /nfs/dbraw/zinc/45/75/55/653457555.db2.gz LOIPAUSBGMAFBF-GJZGRUSLSA-N 1 0 375.332 2.219 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000778822603 653458321 /nfs/dbraw/zinc/45/83/21/653458321.db2.gz GNKXKGTXOGHNKK-ZDUSSCGKSA-N 1 0 398.301 2.231 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cccn2c(I)cnc12 ZINC000876997817 653458620 /nfs/dbraw/zinc/45/86/20/653458620.db2.gz IGRDLQRVPPSDTB-LBPRGKRZSA-N 1 0 398.248 2.009 20 0 GEADRO O=S(=O)(c1ccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)s1)N1CCOCC1 ZINC000877018537 653460233 /nfs/dbraw/zinc/46/02/33/653460233.db2.gz ONWUZCVXNLRUAY-JTQLQIEISA-N 1 0 385.338 2.052 20 0 GEADRO COc1cccc([C@H](O)C[NH2+]Cc2cnn3cc(Br)cnc23)c1 ZINC000877036356 653462613 /nfs/dbraw/zinc/46/26/13/653462613.db2.gz ORQBNUCSCGJMCC-OAHLLOKOSA-N 1 0 377.242 2.324 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000877047874 653463334 /nfs/dbraw/zinc/46/33/34/653463334.db2.gz GDHRCMZGKMGFOD-QWHCGFSZSA-N 1 0 387.933 2.241 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C[NH2+]1 ZINC000877049805 653463812 /nfs/dbraw/zinc/46/38/12/653463812.db2.gz FDWSWCMTAKLWIP-NWDGAFQWSA-N 1 0 378.523 2.185 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000877098156 653466024 /nfs/dbraw/zinc/46/60/24/653466024.db2.gz OQEBLJBOKCTKNO-GFCCVEGCSA-N 1 0 382.302 2.107 20 0 GEADRO O=C(c1cc(Br)cnc1F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877115455 653466564 /nfs/dbraw/zinc/46/65/64/653466564.db2.gz HYXFNNVJYPKEHA-CYBMUJFWSA-N 1 0 386.265 2.214 20 0 GEADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877122844 653466940 /nfs/dbraw/zinc/46/69/40/653466940.db2.gz ASKQOAKXDRGVRK-CQSZACIVSA-N 1 0 394.313 2.010 20 0 GEADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC000877164917 653469916 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C[C@H]1Cc2ccc(Br)cc2CN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878328425 653634815 /nfs/dbraw/zinc/63/48/15/653634815.db2.gz HSWLFLFQWVOCHH-ZDUSSCGKSA-N 1 0 380.330 2.406 20 0 GEADRO COc1ccc(Br)c(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000878522139 653639870 /nfs/dbraw/zinc/63/98/70/653639870.db2.gz JMHKUILEWQYXPC-NSHDSACASA-N 1 0 386.290 2.424 20 0 GEADRO C[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000878569776 653641313 /nfs/dbraw/zinc/64/13/13/653641313.db2.gz OXMJKHSYKXCEKZ-INIZCTEOSA-N 1 0 381.318 2.191 20 0 GEADRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C12CCC2 ZINC000839183607 653643981 /nfs/dbraw/zinc/64/39/81/653643981.db2.gz YYUQHJKMCZSZOI-BPLDGKMQSA-N 1 0 387.933 2.252 20 0 GEADRO C[NH+]1CCC(NC(=O)CN2CCc3c(F)ccc(Br)c3C2)CC1 ZINC000878660217 653644006 /nfs/dbraw/zinc/64/40/06/653644006.db2.gz QZYFMADCHBZJES-UHFFFAOYSA-N 1 0 384.293 2.157 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)CCN1 ZINC000878688293 653644516 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C[C@@](O)(C[NH2+]CCOC[C@@H]1CCOC1)c1ccc(Br)cc1F ZINC000819047752 653741479 /nfs/dbraw/zinc/74/14/79/653741479.db2.gz ZHOYJYGYWNPNEF-MLGOLLRUSA-N 1 0 376.266 2.438 20 0 GEADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCN1CC(F)(F)F ZINC000819054847 653741638 /nfs/dbraw/zinc/74/16/38/653741638.db2.gz NIRDJDKKMKLQHV-NEPJUHHUSA-N 1 0 399.182 2.374 20 0 GEADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000819062378 653742168 /nfs/dbraw/zinc/74/21/68/653742168.db2.gz YJTOBYVSJYDCSE-GFCCVEGCSA-N 1 0 383.432 2.248 20 0 GEADRO [NH3+]CCc1ccc(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000841933703 653742764 /nfs/dbraw/zinc/74/27/64/653742764.db2.gz PPGUJKPMWPXGLA-KRWDZBQOSA-N 1 0 392.297 2.483 20 0 GEADRO COC[C@]1(CNC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000841993394 653743228 /nfs/dbraw/zinc/74/32/28/653743228.db2.gz JVOZKBXKUREQDF-NVXWUHKLSA-N 1 0 390.311 2.485 20 0 GEADRO CCOC(=O)N1CCC([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000787763097 653743715 /nfs/dbraw/zinc/74/37/15/653743715.db2.gz UQGGYZSXVRDLME-LBPRGKRZSA-N 1 0 386.290 2.210 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)C2=O)n(C)n1 ZINC000819119697 653744104 /nfs/dbraw/zinc/74/41/04/653744104.db2.gz CDRCKROWFZOHJJ-LSDHHAIUSA-N 1 0 383.279 2.464 20 0 GEADRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1=O ZINC000819120872 653744107 /nfs/dbraw/zinc/74/41/07/653744107.db2.gz CQKHQUAVKJHRBE-VSQNCQAESA-N 1 0 385.277 2.395 20 0 GEADRO COc1cc(NC(=O)CC[NH2+]C[C@@H]2CSCCS2)cc(OC)c1OC ZINC000819142085 653744276 /nfs/dbraw/zinc/74/42/76/653744276.db2.gz OKFCANVEBMVOSE-CYBMUJFWSA-N 1 0 386.539 2.479 20 0 GEADRO C[C@](O)(C[NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(Br)cc1F ZINC000819144228 653744430 /nfs/dbraw/zinc/74/44/30/653744430.db2.gz WLRJUMXPDKQLBJ-INIZCTEOSA-N 1 0 382.233 2.079 20 0 GEADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000819171662 653744983 /nfs/dbraw/zinc/74/49/83/653744983.db2.gz LJJURMGPHRIZBK-KBPBESRZSA-N 1 0 391.331 2.214 20 0 GEADRO COCCC(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819172572 653745243 /nfs/dbraw/zinc/74/52/43/653745243.db2.gz DPKFUSDFHLWQDY-MRXNPFEDSA-N 1 0 385.302 2.100 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H]1COC2(CCCC2)O1)COc1cccc(Br)c1 ZINC000819204595 653746186 /nfs/dbraw/zinc/74/61/86/653746186.db2.gz DKNGXCUWAGWNFE-GOEBONIOSA-N 1 0 386.286 2.464 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1COC2(CCCC2)O1)COc1cccc(Br)c1 ZINC000819204600 653746219 /nfs/dbraw/zinc/74/62/19/653746219.db2.gz DKNGXCUWAGWNFE-ZBFHGGJFSA-N 1 0 386.286 2.464 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819226897 653746808 /nfs/dbraw/zinc/74/68/08/653746808.db2.gz ZQHXRJZKWWKYPR-INIZCTEOSA-N 1 0 378.897 2.164 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819245071 653747193 /nfs/dbraw/zinc/74/71/93/653747193.db2.gz ROTCLKCDHZYXTN-ARFHVFGLSA-N 1 0 392.265 2.032 20 0 GEADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCCSC(F)(F)F)cc1 ZINC000842200697 653747246 /nfs/dbraw/zinc/74/72/46/653747246.db2.gz OGYXTRIZHIRKMG-ZDUSSCGKSA-N 1 0 377.432 2.295 20 0 GEADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000819261561 653747322 /nfs/dbraw/zinc/74/73/22/653747322.db2.gz FAKMVKSXAPULTH-MRXNPFEDSA-N 1 0 376.469 2.181 20 0 GEADRO C[C@](O)(C[NH2+]CC1(N2CCOCC2)CC1)c1ccc(Br)cc1F ZINC000819264767 653747387 /nfs/dbraw/zinc/74/73/87/653747387.db2.gz DWSMASDNAIBNQK-INIZCTEOSA-N 1 0 387.293 2.250 20 0 GEADRO Cc1cc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)ccc1S(N)(=O)=O ZINC000819268825 653747580 /nfs/dbraw/zinc/74/75/80/653747580.db2.gz WNEHCWUSWDSUIH-HNNXBMFYSA-N 1 0 399.310 2.228 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1ccc(Br)cc1=O ZINC000864884757 653747636 /nfs/dbraw/zinc/74/76/36/653747636.db2.gz OYCGRYZIRRMOPY-AWEZNQCLSA-N 1 0 384.318 2.382 20 0 GEADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cn2ccc(Br)cc2=O)C1 ZINC000864884803 653747685 /nfs/dbraw/zinc/74/76/85/653747685.db2.gz PNYOTKJCWJDDLL-AWEZNQCLSA-N 1 0 384.318 2.239 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000864883916 653747797 /nfs/dbraw/zinc/74/77/97/653747797.db2.gz FCHNEHRSYAZVQI-ULQDDVLXSA-N 1 0 394.313 2.369 20 0 GEADRO O=S(=O)(NCCC[NH2+]C[C@H](O)c1ccccc1F)c1ccccc1Cl ZINC000819282706 653747886 /nfs/dbraw/zinc/74/78/86/653747886.db2.gz ADOJOFCBYHUPRP-INIZCTEOSA-N 1 0 386.876 2.471 20 0 GEADRO O=S(=O)(NCCC[NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1Cl ZINC000819282707 653747991 /nfs/dbraw/zinc/74/79/91/653747991.db2.gz ADOJOFCBYHUPRP-MRXNPFEDSA-N 1 0 386.876 2.471 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000864907376 653748252 /nfs/dbraw/zinc/74/82/52/653748252.db2.gz YIBXODKNVLHWIZ-BBWFWOEESA-N 1 0 394.313 2.369 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000819289866 653748304 /nfs/dbraw/zinc/74/83/04/653748304.db2.gz QKKMQAFFFCPWKT-VHDGCEQUSA-N 1 0 380.432 2.046 20 0 GEADRO Cc1ccccc1[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000819295872 653748473 /nfs/dbraw/zinc/74/84/73/653748473.db2.gz SZNLJKWVIPWJOB-MRXNPFEDSA-N 1 0 386.876 2.389 20 0 GEADRO CC(=O)N[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000864930217 653748690 /nfs/dbraw/zinc/74/86/90/653748690.db2.gz ALCFCEMWDDRNLU-DYVFJYSZSA-N 1 0 396.329 2.474 20 0 GEADRO CN(C)c1ccc(NC(=O)CC[NH2+]CCn2cc(Br)cn2)cc1 ZINC000819308686 653748909 /nfs/dbraw/zinc/74/89/09/653748909.db2.gz YPHSYEVRJSDGGR-UHFFFAOYSA-N 1 0 380.290 2.330 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842220983 653748931 /nfs/dbraw/zinc/74/89/31/653748931.db2.gz LZFNQWLBEVLNDV-GOSISDBHSA-N 1 0 384.307 2.254 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819310957 653749072 /nfs/dbraw/zinc/74/90/72/653749072.db2.gz FJHVUXHFMZYYRU-QMTHXVAHSA-N 1 0 380.279 2.036 20 0 GEADRO COCCOC1(C[NH2+]C[C@H](O)c2cccc(Br)c2)CCOCC1 ZINC000819338842 653749426 /nfs/dbraw/zinc/74/94/26/653749426.db2.gz CEFSQMMBNIYFHH-INIZCTEOSA-N 1 0 388.302 2.284 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000864962324 653749744 /nfs/dbraw/zinc/74/97/44/653749744.db2.gz KDZTZBBFPQTGNA-XJKSGUPXSA-N 1 0 382.302 2.084 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000865048825 653751990 /nfs/dbraw/zinc/75/19/90/653751990.db2.gz DJKZTBFXJNAQRR-IJEWVQPXSA-N 1 0 396.329 2.475 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000865048401 653752013 /nfs/dbraw/zinc/75/20/13/653752013.db2.gz SDRKVSAYTFMQQM-RHSMWYFYSA-N 1 0 396.329 2.474 20 0 GEADRO COc1cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cnc1Br ZINC000788227448 653752917 /nfs/dbraw/zinc/75/29/17/653752917.db2.gz OSELRLUVHYPLGI-UHFFFAOYSA-N 1 0 398.301 2.037 20 0 GEADRO COc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cnc1Br ZINC000788231543 653752966 /nfs/dbraw/zinc/75/29/66/653752966.db2.gz DMXKFYFLTGQNLK-HZSPNIEDSA-N 1 0 398.301 2.176 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1ccc(Br)cc1=O ZINC000865085611 653753273 /nfs/dbraw/zinc/75/32/73/653753273.db2.gz PBOWSQBDXJZPOH-UHFFFAOYSA-N 1 0 392.297 2.331 20 0 GEADRO CN(CCC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)S(C)(=O)=O ZINC000788248536 653753434 /nfs/dbraw/zinc/75/34/34/653753434.db2.gz QRFNOTSYKOHJQZ-HUUCEWRRSA-N 1 0 377.551 2.084 20 0 GEADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000881966375 653753546 /nfs/dbraw/zinc/75/35/46/653753546.db2.gz DIADSSWYKJOWFK-ZDUSSCGKSA-N 1 0 387.373 2.333 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000865124362 653754539 /nfs/dbraw/zinc/75/45/39/653754539.db2.gz HRQJCGVTYXMVLI-SJORKVTESA-N 1 0 394.313 2.323 20 0 GEADRO NC(=O)CN1CCCN(C(=O)Cc2coc3c2ccc(Cl)c3Cl)CC1 ZINC000865164088 653755719 /nfs/dbraw/zinc/75/57/19/653755719.db2.gz WIZUZBDMPPIWDV-UHFFFAOYSA-N 1 0 384.263 2.302 20 0 GEADRO CN1CCN(C(=O)Cn2ccc(Br)cc2=O)c2ccccc2C1 ZINC000865165537 653755756 /nfs/dbraw/zinc/75/57/56/653755756.db2.gz HMXFDHASSCSNJJ-UHFFFAOYSA-N 1 0 376.254 2.089 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NOC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000819693513 653756101 /nfs/dbraw/zinc/75/61/01/653756101.db2.gz ZBPOSMXBCYZLCD-INIZCTEOSA-N 1 0 398.301 2.158 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(-c4ccccc4Br)nn3)[C@@H]2C1 ZINC000819717199 653756298 /nfs/dbraw/zinc/75/62/98/653756298.db2.gz DEJNIFNOGCWWCU-BLLLJJGKSA-N 1 0 390.285 2.196 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C(F)(F)F)n1 ZINC000819717178 653756342 /nfs/dbraw/zinc/75/63/42/653756342.db2.gz CHBKFPVXIUVCAU-YWPYICTPSA-N 1 0 377.432 2.144 20 0 GEADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000881998044 653756364 /nfs/dbraw/zinc/75/63/64/653756364.db2.gz AESLZSIYQGHEQO-YUELXQCFSA-N 1 0 399.384 2.258 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CC=C(Cl)Cl)CC2)CC1 ZINC000882004879 653756545 /nfs/dbraw/zinc/75/65/45/653756545.db2.gz UORIRWLFIWKMJP-UHFFFAOYSA-N 1 0 384.373 2.126 20 0 GEADRO [NH3+]CCCCCCCN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000842471654 653757584 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COC(=O)c1sc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c(C)c1Cl ZINC000842705351 653763823 /nfs/dbraw/zinc/76/38/23/653763823.db2.gz LXTWIXHDKYTPII-SECBINFHSA-N 1 0 380.919 2.244 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c(C)c1Cl ZINC000842705353 653763961 /nfs/dbraw/zinc/76/39/61/653763961.db2.gz LXTWIXHDKYTPII-VIFPVBQESA-N 1 0 380.919 2.244 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c(C)c1Cl ZINC000842714786 653764204 /nfs/dbraw/zinc/76/42/04/653764204.db2.gz XRQAHKBETPGUJE-JTQLQIEISA-N 1 0 380.919 2.165 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c(C)c1Cl ZINC000842714787 653764250 /nfs/dbraw/zinc/76/42/50/653764250.db2.gz XRQAHKBETPGUJE-SNVBAGLBSA-N 1 0 380.919 2.165 20 0 GEADRO C[NH+](C)[C@H](CNc1ccc(Br)cc1S(N)(=O)=O)c1ccco1 ZINC000865406417 653764496 /nfs/dbraw/zinc/76/44/96/653764496.db2.gz SOWWAABQTLSICA-GFCCVEGCSA-N 1 0 388.287 2.404 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(N)nc(Br)c2)[C@@H](C)C1 ZINC000820035072 653765342 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GEADRO CC(C)[NH+]1CCC(NC(=O)Cn2oc3cc(Br)ccc3c2=O)CC1 ZINC000882171024 653767352 /nfs/dbraw/zinc/76/73/52/653767352.db2.gz KWWMXYNPFKMVJE-UHFFFAOYSA-N 1 0 396.285 2.346 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CCCCS1(=O)=O)CC(F)(F)F ZINC000865526782 653767560 /nfs/dbraw/zinc/76/75/60/653767560.db2.gz XPZONLZRKSUNKB-RYUDHWBXSA-N 1 0 388.452 2.389 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)CC=C(Cl)Cl ZINC000882202289 653769083 /nfs/dbraw/zinc/76/90/83/653769083.db2.gz UBTYJMDDVAVCOO-UHFFFAOYSA-N 1 0 382.313 2.151 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000842814084 653769213 /nfs/dbraw/zinc/76/92/13/653769213.db2.gz DZWPFHFVLHZMJG-WPRPVWTQSA-N 1 0 381.267 2.016 20 0 GEADRO C[C@]1(CNS(=O)(=O)c2cc(Br)cnc2Cl)CCC[NH2+]C1 ZINC000842827141 653769835 /nfs/dbraw/zinc/76/98/35/653769835.db2.gz POOZBUOYDTZHHU-LBPRGKRZSA-N 1 0 382.711 2.166 20 0 GEADRO Cc1ccc(C[NH2+]CCCCn2cc(C(N)=O)nn2)c(C)c1Br ZINC000865605145 653769845 /nfs/dbraw/zinc/76/98/45/653769845.db2.gz 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CC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])ccc1Br ZINC000842869750 653771156 /nfs/dbraw/zinc/77/11/56/653771156.db2.gz QIRSNVHNYOQRNI-JTQLQIEISA-N 1 0 377.304 2.448 20 0 GEADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842872653 653771338 /nfs/dbraw/zinc/77/13/38/653771338.db2.gz FJXUCWZQKWTYLU-UONOGXRCSA-N 1 0 382.917 2.388 20 0 GEADRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000789343396 653772017 /nfs/dbraw/zinc/77/20/17/653772017.db2.gz XSYODJDXKSMRBJ-MLGOLLRUSA-N 1 0 375.282 2.274 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)NCCCCC[NH+]1CCCCC1 ZINC000865705472 653772215 /nfs/dbraw/zinc/77/22/15/653772215.db2.gz SHSCCOIOHRZYLW-UHFFFAOYSA-N 1 0 384.318 2.383 20 0 GEADRO C[C@H](C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)CC(F)F ZINC000842889813 653772218 /nfs/dbraw/zinc/77/22/18/653772218.db2.gz CHMLEBZXRILNDU-RYUDHWBXSA-N 1 0 398.497 2.354 20 0 GEADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(Br)nc2OC)CC1 ZINC000789376555 653772915 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C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(Br)cc1S(N)(=O)=O ZINC000865800319 653775497 /nfs/dbraw/zinc/77/54/97/653775497.db2.gz IFNLHMUSSCRVCK-YPMHNXCESA-N 1 0 388.331 2.160 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000865817713 653776092 /nfs/dbraw/zinc/77/60/92/653776092.db2.gz FRKQXZYMOSLQRO-UHFFFAOYSA-N 1 0 399.310 2.395 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000865818360 653776107 /nfs/dbraw/zinc/77/61/07/653776107.db2.gz QYGIRHHJVDXLAJ-INIZCTEOSA-N 1 0 381.523 2.235 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000865818516 653776197 /nfs/dbraw/zinc/77/61/97/653776197.db2.gz AUHJYDOQXYWNKT-UHFFFAOYSA-N 1 0 384.299 2.085 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000865856927 653777460 /nfs/dbraw/zinc/77/74/60/653777460.db2.gz MDWXASZWPYVREB-BBRMVZONSA-N 1 0 382.302 2.036 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000843049657 653778129 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O[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)COc1ccccc1Br ZINC000843094698 653779077 /nfs/dbraw/zinc/77/90/77/653779077.db2.gz LHUPGWPNTXAKTF-WFASDCNBSA-N 1 0 385.233 2.046 20 0 GEADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000843110961 653779714 /nfs/dbraw/zinc/77/97/14/653779714.db2.gz IBOGLBKCJQPRJJ-DLBZAZTESA-N 1 0 387.860 2.239 20 0 GEADRO Cn1nc(I)cc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000865914119 653779735 /nfs/dbraw/zinc/77/97/35/653779735.db2.gz CIYONAREPXEEKB-NSHDSACASA-N 1 0 392.285 2.121 20 0 GEADRO OC[C@H](CN1CCCCC1)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843112268 653779845 /nfs/dbraw/zinc/77/98/45/653779845.db2.gz FJOSYRQCZFVGPV-XJKSGUPXSA-N 1 0 375.282 2.058 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cc(-c3nc(CC[NH3+])no3)ccc2Cl)C1 ZINC000843128516 653780234 /nfs/dbraw/zinc/78/02/34/653780234.db2.gz LVVWLUXMXYDTSL-NSHDSACASA-N 1 0 384.889 2.312 20 0 GEADRO CC(C)[C@@H]([NH3+])c1noc(CN2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843152910 653780749 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CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)no1 ZINC000865978436 653782197 /nfs/dbraw/zinc/78/21/97/653782197.db2.gz UQFRYIPZMYXRTR-QGZVFWFLSA-N 1 0 394.269 2.146 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)NCCCCCC[NH3+])s2)cs1 ZINC000843262147 653782344 /nfs/dbraw/zinc/78/23/44/653782344.db2.gz NVOXJPYTEYRRPX-UHFFFAOYSA-N 1 0 380.539 2.432 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(Br)cc1Br ZINC000882490478 653784587 /nfs/dbraw/zinc/78/45/87/653784587.db2.gz PVBMSLBDGPWAPO-SECBINFHSA-N 1 0 377.080 2.431 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Br)cnc2Cl)CC1 ZINC000843395748 653786191 /nfs/dbraw/zinc/78/61/91/653786191.db2.gz OAOHKMXMVNJXAQ-UHFFFAOYSA-N 1 0 389.725 2.093 20 0 GEADRO COC(=O)[C@H]1CN(Cc2cc(Br)cnc2Cl)CC[N@H+](C)C1 ZINC000843413633 653786563 /nfs/dbraw/zinc/78/65/63/653786563.db2.gz OWZZLTRWKPSIPT-LLVKDONJSA-N 1 0 376.682 2.034 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccncc1)c1ccc2nnc(Br)n2n1 ZINC000882520519 653786654 /nfs/dbraw/zinc/78/66/54/653786654.db2.gz AFEFWWXILJVWRY-UHFFFAOYSA-N 1 0 390.289 2.240 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCc2c(F)cc(Br)cc2C1 ZINC000843449336 653787190 /nfs/dbraw/zinc/78/71/90/653787190.db2.gz LDUOIKLWDCUDOU-UHFFFAOYSA-N 1 0 379.233 2.156 20 0 GEADRO COc1cc2[nH+]ccc(N3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)c2cc1Br ZINC000866164341 653787667 /nfs/dbraw/zinc/78/76/67/653787667.db2.gz VBDSAEULWPOPQF-PHIMTYICSA-N 1 0 390.237 2.057 20 0 GEADRO Cc1ccc(/C=C\C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000843478312 653787881 /nfs/dbraw/zinc/78/78/81/653787881.db2.gz TWNAVMBJZWITPP-YIEVGGLXSA-N 1 0 378.314 2.277 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000820970030 653787989 /nfs/dbraw/zinc/78/79/89/653787989.db2.gz YJHHXHULQHJALY-NSHDSACASA-N 1 0 375.441 2.395 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843486298 653788108 /nfs/dbraw/zinc/78/81/08/653788108.db2.gz FOKPLQSOCAOIRN-CYBMUJFWSA-N 1 0 387.274 2.181 20 0 GEADRO Cc1ccc(/C=C/C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000843481332 653788157 /nfs/dbraw/zinc/78/81/57/653788157.db2.gz RWLOJDDGTAHQLO-DWTRPJMMSA-N 1 0 378.314 2.277 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])ccc1Cl ZINC000843507875 653788667 /nfs/dbraw/zinc/78/86/67/653788667.db2.gz NINXQPGNHYONJJ-INIZCTEOSA-N 1 0 378.881 2.442 20 0 GEADRO C[C@@H](C(=O)NCCCCCC[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000843511766 653788825 /nfs/dbraw/zinc/78/88/25/653788825.db2.gz KSVGBWQQXHPMRE-NSHDSACASA-N 1 0 396.285 2.069 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc(I)cn1 ZINC000866256883 653789535 /nfs/dbraw/zinc/78/95/35/653789535.db2.gz BEZHQYUDEXRMRZ-UHFFFAOYSA-N 1 0 387.265 2.235 20 0 GEADRO COCCN(Cc1sccc1Br)C(=S)NCC[NH+](C)C ZINC000790353696 653789825 /nfs/dbraw/zinc/78/98/25/653789825.db2.gz IYXBNFVWTVZVEC-UHFFFAOYSA-N 1 0 380.377 2.395 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)cn3ccnc23)CCSC1 ZINC000866333100 653790987 /nfs/dbraw/zinc/79/09/87/653790987.db2.gz FYGYIZZNUHKLNW-HNNXBMFYSA-N 1 0 383.315 2.264 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000790450714 653792364 /nfs/dbraw/zinc/79/23/64/653792364.db2.gz PNVKNRPSVDWKQQ-SNVBAGLBSA-N 1 0 376.935 2.448 20 0 GEADRO Ic1ccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)s1 ZINC000821219996 653792906 /nfs/dbraw/zinc/79/29/06/653792906.db2.gz LUMCCJJDNBDQPG-JTQLQIEISA-N 1 0 395.262 2.364 20 0 GEADRO C[N@H+](CCNC(=O)c1nc(Br)ccc1Br)C1CC1 ZINC000790506491 653793021 /nfs/dbraw/zinc/79/30/21/653793021.db2.gz RSLMRLRADMJHKU-UHFFFAOYSA-N 1 0 377.080 2.431 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000790584185 653793586 /nfs/dbraw/zinc/79/35/86/653793586.db2.gz RHMUQLSWGVDCSG-OAHLLOKOSA-N 1 0 387.933 2.098 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000790584157 653793617 /nfs/dbraw/zinc/79/36/17/653793617.db2.gz QIOAIDXKSJXGKH-GFCCVEGCSA-N 1 0 393.289 2.493 20 0 GEADRO C[NH+](C)CCNC(=S)NCc1nc(-c2cccc(Br)c2)no1 ZINC000790613934 653794176 /nfs/dbraw/zinc/79/41/76/653794176.db2.gz IXPDKQVLKBEZMW-UHFFFAOYSA-N 1 0 384.303 2.025 20 0 GEADRO C[NH+](C)CCCNC(=S)NCc1nc(-c2cccc(Br)c2)no1 ZINC000790616265 653794363 /nfs/dbraw/zinc/79/43/63/653794363.db2.gz TUYXJGSDWMRXEM-UHFFFAOYSA-N 1 0 398.330 2.415 20 0 GEADRO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000843890517 653796306 /nfs/dbraw/zinc/79/63/06/653796306.db2.gz DIMDENXVYJTDHT-NEPJUHHUSA-N 1 0 377.286 2.360 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@H]2CCC(=O)O2)C1 ZINC000821391367 653796936 /nfs/dbraw/zinc/79/69/36/653796936.db2.gz JUXSPJKDOUVNDX-WCQYABFASA-N 1 0 382.258 2.200 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000866485628 653798254 /nfs/dbraw/zinc/79/82/54/653798254.db2.gz UKBRGOCGKBVIOY-UHFFFAOYSA-N 1 0 387.571 2.036 20 0 GEADRO CCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000843992365 653798383 /nfs/dbraw/zinc/79/83/83/653798383.db2.gz RJBZLXSKVPOOLE-CYBMUJFWSA-N 1 0 387.933 2.147 20 0 GEADRO CCc1sc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1Br ZINC000844038066 653799606 /nfs/dbraw/zinc/79/96/06/653799606.db2.gz LPGAFRKEULDOND-JTQLQIEISA-N 1 0 388.331 2.265 20 0 GEADRO C[C@H](CNC(=O)Nc1cc(Br)cnc1-n1cccn1)C[NH+](C)C ZINC000821565704 653801224 /nfs/dbraw/zinc/80/12/24/653801224.db2.gz DLIUNYICGCNNIO-LLVKDONJSA-N 1 0 381.278 2.349 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Br)cnc1Cl)CCO2 ZINC000844096458 653801352 /nfs/dbraw/zinc/80/13/52/653801352.db2.gz IQVJBSAROAWBDW-UHFFFAOYSA-N 1 0 388.693 2.434 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000844176942 653802797 /nfs/dbraw/zinc/80/27/97/653802797.db2.gz XCIWEYLCHIOUAC-YOEHRIQHSA-N 1 0 396.329 2.160 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844198646 653803233 /nfs/dbraw/zinc/80/32/33/653803233.db2.gz MEALWFMTYQEUCV-ZDUSSCGKSA-N 1 0 380.539 2.418 20 0 GEADRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000844299861 653804646 /nfs/dbraw/zinc/80/46/46/653804646.db2.gz VLSISEBWAIBMMJ-UHFFFAOYSA-N 1 0 391.921 2.334 20 0 GEADRO COC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000866596952 653805358 /nfs/dbraw/zinc/80/53/58/653805358.db2.gz LLYSDHRIXGZRAU-OAHLLOKOSA-N 1 0 391.331 2.150 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000866629214 653806846 /nfs/dbraw/zinc/80/68/46/653806846.db2.gz DOSBDJJLDWIOPV-USWWRNFRSA-N 1 0 395.335 2.494 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cnn(C)c1Br ZINC000882797836 653808913 /nfs/dbraw/zinc/80/89/13/653808913.db2.gz BLQWULDNBJNZDG-UHFFFAOYSA-N 1 0 393.351 2.069 20 0 GEADRO C[NH+]1CCC(NC(=S)Nc2ccc(S(C)(=O)=O)c3ccncc23)CC1 ZINC000844585798 653809606 /nfs/dbraw/zinc/80/96/06/653809606.db2.gz IVSCPXWHSFEJBH-UHFFFAOYSA-N 1 0 378.523 2.019 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)Cc3cccnc3Br)CC2)c1 ZINC000791352707 653810503 /nfs/dbraw/zinc/81/05/03/653810503.db2.gz KSCNFBDTFXQAJB-UHFFFAOYSA-N 1 0 391.269 2.139 20 0 GEADRO COCCOCCN1CCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000844641718 653810901 /nfs/dbraw/zinc/81/09/01/653810901.db2.gz OFKGRBKTHDRHHC-UHFFFAOYSA-N 1 0 391.299 2.388 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000821917230 653811767 /nfs/dbraw/zinc/81/17/67/653811767.db2.gz BJALJANZWSMMKI-UHFFFAOYSA-N 1 0 384.311 2.399 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000821929273 653812237 /nfs/dbraw/zinc/81/22/37/653812237.db2.gz UGRCEQJQHUAYCV-KRWDZBQOSA-N 1 0 375.296 2.428 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)C1 ZINC000821955209 653813141 /nfs/dbraw/zinc/81/31/41/653813141.db2.gz NINZPFDPYIXNIM-OAHLLOKOSA-N 1 0 387.705 2.317 20 0 GEADRO CCc1cccc(NC(=O)CNCc2c(I)cnn2C)c1 ZINC000895038599 653813744 /nfs/dbraw/zinc/81/37/44/653813744.db2.gz WUKAONQXBPNJRH-UHFFFAOYSA-N 1 0 398.248 2.315 20 0 GEADRO Cc1c(Br)cccc1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711548 653813804 /nfs/dbraw/zinc/81/38/04/653813804.db2.gz MELQGAZCSOKAHG-BMFZPTHFSA-N 1 0 380.286 2.124 20 0 GEADRO CCc1cccc(NC(=O)CNCc2cn(C)nc2I)c1 ZINC000895038172 653813822 /nfs/dbraw/zinc/81/38/22/653813822.db2.gz JNIPMRUNPNNTDP-UHFFFAOYSA-N 1 0 398.248 2.315 20 0 GEADRO C[C@H](NC(=O)NCC[NH+]1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000895051028 653814306 /nfs/dbraw/zinc/81/43/06/653814306.db2.gz NHJNQPMHXBRCCG-NSHDSACASA-N 1 0 388.281 2.405 20 0 GEADRO CN(C)C(=O)[C@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844707057 653815258 /nfs/dbraw/zinc/81/52/58/653815258.db2.gz HQAQEZPUOPRKFB-AWEZNQCLSA-N 1 0 392.297 2.042 20 0 GEADRO O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1ccc(I)cc1 ZINC000866720651 653815413 /nfs/dbraw/zinc/81/54/13/653815413.db2.gz NCOBWQGGDOKIEU-KGLIPLIRSA-N 1 0 385.249 2.056 20 0 GEADRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1I)C1(CO)CC=CC1 ZINC000895085333 653816598 /nfs/dbraw/zinc/81/65/98/653816598.db2.gz LNNJROFUWUUPPV-ZDUSSCGKSA-N 1 0 389.281 2.468 20 0 GEADRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2cc(OC)c(O)cc2Br)C1(F)F ZINC000895087341 653816677 /nfs/dbraw/zinc/81/66/77/653816677.db2.gz CEZVMJIAGPIHIH-QPUJVOFHSA-N 1 0 380.185 2.307 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866737089 653817182 /nfs/dbraw/zinc/81/71/82/653817182.db2.gz JSWWVQWDNDSBGS-PWSUYJOCSA-N 1 0 379.404 2.078 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000866742869 653818130 /nfs/dbraw/zinc/81/81/30/653818130.db2.gz GDUVIYMNCUFINT-GFCCVEGCSA-N 1 0 389.315 2.114 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000866747979 653818737 /nfs/dbraw/zinc/81/87/37/653818737.db2.gz AGCBAWWLJACQSP-AWEZNQCLSA-N 1 0 380.341 2.359 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000866757500 653820142 /nfs/dbraw/zinc/82/01/42/653820142.db2.gz WPOAKNZFVFWNCD-KCYKTTMJSA-N 1 0 387.571 2.021 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000866760968 653820858 /nfs/dbraw/zinc/82/08/58/653820858.db2.gz IDFNXGVMEAPIRC-LLVKDONJSA-N 1 0 386.930 2.497 20 0 GEADRO Cc1cc(Br)cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000895165708 653821097 /nfs/dbraw/zinc/82/10/97/653821097.db2.gz MMTCXVGZSNYNRN-MRXNPFEDSA-N 1 0 383.334 2.361 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1(Cl)Cl ZINC000866770877 653822716 /nfs/dbraw/zinc/82/27/16/653822716.db2.gz HWWANEPVQWWBTH-HZSPNIEDSA-N 1 0 385.357 2.118 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cc(Cl)cnc3Cl)CC2)C1 ZINC000866771976 653823025 /nfs/dbraw/zinc/82/30/25/653823025.db2.gz MDONLNLHHSGFAW-CHWSQXEVSA-N 1 0 394.324 2.295 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)c1cccs1 ZINC000883055916 653824248 /nfs/dbraw/zinc/82/42/48/653824248.db2.gz WGPVSUZJSSUASH-WPRPVWTQSA-N 1 0 375.363 2.209 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)cc1Cl ZINC000866784946 653825632 /nfs/dbraw/zinc/82/56/32/653825632.db2.gz LEUNBNOMZJHHNM-LLVKDONJSA-N 1 0 391.896 2.494 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000895293936 653826617 /nfs/dbraw/zinc/82/66/17/653826617.db2.gz XDINELFBBSIFOQ-DLBZAZTESA-N 1 0 396.329 2.498 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)cnc1Cl ZINC000866792157 653826962 /nfs/dbraw/zinc/82/69/62/653826962.db2.gz VBODFZSCWMBDGP-ZDUSSCGKSA-N 1 0 394.324 2.310 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000895323215 653827516 /nfs/dbraw/zinc/82/75/16/653827516.db2.gz AWLHMOAGXGZTON-DLBZAZTESA-N 1 0 380.286 2.261 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000822433586 653827794 /nfs/dbraw/zinc/82/77/94/653827794.db2.gz UBYFFFSBFCFFGT-QWHCGFSZSA-N 1 0 376.400 2.337 20 0 GEADRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1=O ZINC000895332763 653828274 /nfs/dbraw/zinc/82/82/74/653828274.db2.gz PLFZIGRVXCXYFU-GFCCVEGCSA-N 1 0 386.949 2.370 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccsc1 ZINC000883116423 653828606 /nfs/dbraw/zinc/82/86/06/653828606.db2.gz VSCUAJXGFFTSPU-NXEZZACHSA-N 1 0 375.363 2.209 20 0 GEADRO [NH3+]CC(F)(F)Cc1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000844917288 653829309 /nfs/dbraw/zinc/82/93/09/653829309.db2.gz QHXFUIJCCHVYDB-UHFFFAOYSA-N 1 0 375.173 2.150 20 0 GEADRO COc1ccc(Cc2noc([C@H](N)CC[NH+](C)C)n2)c(Br)c1OC ZINC000844914127 653829328 /nfs/dbraw/zinc/82/93/28/653829328.db2.gz DBLGSKOOSDSNEY-LLVKDONJSA-N 1 0 399.289 2.392 20 0 GEADRO COc1ccc(Cc2noc([C@@H](N)CC[NH+](C)C)n2)c(Br)c1OC ZINC000844914128 653829347 /nfs/dbraw/zinc/82/93/47/653829347.db2.gz DBLGSKOOSDSNEY-NSHDSACASA-N 1 0 399.289 2.392 20 0 GEADRO [NH3+]CC(F)(F)Cc1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000844916951 653829366 /nfs/dbraw/zinc/82/93/66/653829366.db2.gz ZIWQDSHMCWURLW-UHFFFAOYSA-N 1 0 376.157 2.288 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000895348945 653829391 /nfs/dbraw/zinc/82/93/91/653829391.db2.gz CKJPGBIKXLMJGS-CQSZACIVSA-N 1 0 396.276 2.389 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000866806472 653829798 /nfs/dbraw/zinc/82/97/98/653829798.db2.gz YWVXOWWNPMIFOG-OCAPTIKFSA-N 1 0 376.301 2.074 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000866813632 653831237 /nfs/dbraw/zinc/83/12/37/653831237.db2.gz WQPXIAAKPHAPAB-VIFPVBQESA-N 1 0 395.294 2.263 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000866820540 653832543 /nfs/dbraw/zinc/83/25/43/653832543.db2.gz SXTYPNTXGGJJEN-SJORKVTESA-N 1 0 387.933 2.078 20 0 GEADRO COCCC1(NS(=O)(=O)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000866821358 653832552 /nfs/dbraw/zinc/83/25/52/653832552.db2.gz BLTTYQVBKLVUGG-UHFFFAOYSA-N 1 0 391.331 2.027 20 0 GEADRO Cn1cc(Br)c(=O)c(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000822584583 653832887 /nfs/dbraw/zinc/83/28/87/653832887.db2.gz JIDJOOPDNWNGIS-LLVKDONJSA-N 1 0 385.306 2.390 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC[NH2+]CC1 ZINC000866822126 653832975 /nfs/dbraw/zinc/83/29/75/653832975.db2.gz XCMKRURWYXHSCL-UHFFFAOYSA-N 1 0 397.324 2.439 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883261649 653833559 /nfs/dbraw/zinc/83/35/59/653833559.db2.gz HWOGLSRYYJXGTQ-LALPHHSUSA-N 1 0 385.302 2.477 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)cc21 ZINC000866824310 653833462 /nfs/dbraw/zinc/83/34/62/653833462.db2.gz LSWCUVZHXKSICM-CABCVRRESA-N 1 0 398.326 2.456 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(Cl)cc1Cl ZINC000866827406 653834024 /nfs/dbraw/zinc/83/40/24/653834024.db2.gz MKPIMQBVHNEUHU-CHWSQXEVSA-N 1 0 393.292 2.295 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1Br ZINC000866827545 653834082 /nfs/dbraw/zinc/83/40/82/653834082.db2.gz OSEIFPKOVGKHNL-CABCVRRESA-N 1 0 387.299 2.167 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]CC[C@H]3CCCS3(=O)=O)cnc12 ZINC000883298199 653834527 /nfs/dbraw/zinc/83/45/27/653834527.db2.gz LPBKRFKZSNGNHN-CQSZACIVSA-N 1 0 386.315 2.462 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2c[nH]nc2I)CCCCC1 ZINC000895439772 653834665 /nfs/dbraw/zinc/83/46/65/653834665.db2.gz KPAQNOZRWCMONM-UHFFFAOYSA-N 1 0 376.242 2.009 20 0 GEADRO C[C@H]([NH2+]CCc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000895443909 653834973 /nfs/dbraw/zinc/83/49/73/653834973.db2.gz BSVIABONKYKWAN-WCQYABFASA-N 1 0 393.290 2.247 20 0 GEADRO CN1CCO[C@H]([C@@H]([NH2+]CC[C@H]2CCCS2(=O)=O)c2ccc(Cl)cc2)C1 ZINC000883307090 653835218 /nfs/dbraw/zinc/83/52/18/653835218.db2.gz LURQPHWGUOLWED-SQNIBIBYSA-N 1 0 386.945 2.269 20 0 GEADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)OCCC[NH+](C)C)c1 ZINC000792119695 653835318 /nfs/dbraw/zinc/83/53/18/653835318.db2.gz JVQFMOISILYYCX-UHFFFAOYSA-N 1 0 378.288 2.351 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000895459170 653836153 /nfs/dbraw/zinc/83/61/53/653836153.db2.gz YCNSIYMFCRLRIO-LLVKDONJSA-N 1 0 375.254 2.321 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000895458360 653836192 /nfs/dbraw/zinc/83/61/92/653836192.db2.gz OUIGRIKHBFETLG-ZDUSSCGKSA-N 1 0 387.933 2.308 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000866837277 653836313 /nfs/dbraw/zinc/83/63/13/653836313.db2.gz BYTYZFLDQLGCCO-HNNXBMFYSA-N 1 0 380.432 2.144 20 0 GEADRO CN(CC[NH2+][C@@H]1CCc2c1c(Br)ccc2F)CCOCCO ZINC000883351053 653836471 /nfs/dbraw/zinc/83/64/71/653836471.db2.gz WJHNUHMNWOEURT-OAHLLOKOSA-N 1 0 375.282 2.106 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2nc(Br)ccc2F)CC1 ZINC000792171393 653836623 /nfs/dbraw/zinc/83/66/23/653836623.db2.gz IPAPVMYPNZVYRD-UHFFFAOYSA-N 1 0 387.297 2.131 20 0 GEADRO CN(CC[NH2+]Cc1ccc(Br)c2cccnc12)CCOCCO ZINC000883348732 653836685 /nfs/dbraw/zinc/83/66/85/653836685.db2.gz BEPUKNWORZEYGN-UHFFFAOYSA-N 1 0 382.302 2.028 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000883359834 653836866 /nfs/dbraw/zinc/83/68/66/653836866.db2.gz ONWHRGONYUKETB-LDYMZIIASA-N 1 0 376.347 2.267 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000883359832 653837030 /nfs/dbraw/zinc/83/70/30/653837030.db2.gz ONWHRGONYUKETB-KCJUWKMLSA-N 1 0 376.347 2.267 20 0 GEADRO C[NH+](C)CCCOC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000792184073 653836982 /nfs/dbraw/zinc/83/69/82/653836982.db2.gz HIKRQJPMCFGSTL-OAHLLOKOSA-N 1 0 383.286 2.435 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883361004 653837434 /nfs/dbraw/zinc/83/74/34/653837434.db2.gz QUYSCHYCKKVKMN-CMPLNLGQSA-N 1 0 375.359 2.305 20 0 GEADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000883378915 653837910 /nfs/dbraw/zinc/83/79/10/653837910.db2.gz FKSMQRPWFCDYEG-HAQNSBGRSA-N 1 0 390.299 2.276 20 0 GEADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883374640 653837929 /nfs/dbraw/zinc/83/79/29/653837929.db2.gz KCSNCEVLDOEWOL-LEUOFYLZSA-N 1 0 385.551 2.245 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000866853853 653838244 /nfs/dbraw/zinc/83/82/44/653838244.db2.gz IFZMMCOTEAOMOB-NSHDSACASA-N 1 0 386.930 2.451 20 0 GEADRO O=C(COC(=O)c1csc(C(F)(F)F)n1)NC1CC[NH+](C2CC2)CC1 ZINC000792325745 653840112 /nfs/dbraw/zinc/84/01/12/653840112.db2.gz NEUZZONIMSRLPA-UHFFFAOYSA-N 1 0 377.388 2.062 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)[C@H]1c1cccs1 ZINC000883452842 653840322 /nfs/dbraw/zinc/84/03/22/653840322.db2.gz FLZHUQBHDUWVFY-KQTLUZQSSA-N 1 0 385.555 2.006 20 0 GEADRO O=C(CN1CC[NH2+]CCC12CCC2)Nc1ccccc1I ZINC000883457243 653840697 /nfs/dbraw/zinc/84/06/97/653840697.db2.gz YUPWUCVFJWASNB-UHFFFAOYSA-N 1 0 399.276 2.448 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000883471512 653841284 /nfs/dbraw/zinc/84/12/84/653841284.db2.gz OWHGVYCBJHXCKJ-UHFFFAOYSA-N 1 0 388.824 2.247 20 0 GEADRO COC(=O)c1cc(F)cc(S(=O)(=O)N(C)C2(C[NH3+])CCCCC2)c1F ZINC000883476706 653842110 /nfs/dbraw/zinc/84/21/10/653842110.db2.gz AGYSTNAPKQYDFH-UHFFFAOYSA-N 1 0 376.425 2.034 20 0 GEADRO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000883476977 653842123 /nfs/dbraw/zinc/84/21/23/653842123.db2.gz LQWUGGFCFLEMAX-UHFFFAOYSA-N 1 0 394.946 2.026 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(C(F)F)s1 ZINC000845291812 653842501 /nfs/dbraw/zinc/84/25/01/653842501.db2.gz PXJVWZHKDVXZKM-QMMMGPOBSA-N 1 0 379.433 2.259 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1I)c1ccsc1 ZINC000895646357 653844553 /nfs/dbraw/zinc/84/45/53/653844553.db2.gz HDSKFYIVROCMOX-JTQLQIEISA-N 1 0 390.250 2.109 20 0 GEADRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Nc2ccncc2Br)cc1 ZINC000883550306 653845505 /nfs/dbraw/zinc/84/55/05/653845505.db2.gz MWEKAORPWRYHEF-MRXNPFEDSA-N 1 0 391.269 2.453 20 0 GEADRO O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883567004 653845805 /nfs/dbraw/zinc/84/58/05/653845805.db2.gz MVEQCPFFIHBNRZ-ZACQAIPSSA-N 1 0 385.599 2.309 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883567358 653846134 /nfs/dbraw/zinc/84/61/34/653846134.db2.gz WWCHISAXQCNAKX-VVLHAWIVSA-N 1 0 385.599 2.309 20 0 GEADRO C[C@@H]([NH3+])CCc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000822918683 653846083 /nfs/dbraw/zinc/84/60/83/653846083.db2.gz CVSYSWZRZFDCFA-MRVPVSSYSA-N 1 0 378.230 2.352 20 0 GEADRO CC[C@@H]1CN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[C@@H]1[NH3+] ZINC000883592542 653846396 /nfs/dbraw/zinc/84/63/96/653846396.db2.gz LBVIHNVXSBARCV-KOLCDFICSA-N 1 0 397.273 2.371 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[NH2+]1 ZINC000883592323 653846425 /nfs/dbraw/zinc/84/64/25/653846425.db2.gz DCIUAFMXWTWYEO-SCZZXKLOSA-N 1 0 383.246 2.042 20 0 GEADRO CC[C@H]1CN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[C@H]1[NH3+] ZINC000883592541 653846429 /nfs/dbraw/zinc/84/64/29/653846429.db2.gz LBVIHNVXSBARCV-GXSJLCMTSA-N 1 0 397.273 2.371 20 0 GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N[C@H]1CC[NH2+]C12CCC2 ZINC000883593587 653847036 /nfs/dbraw/zinc/84/70/36/653847036.db2.gz MPAWXAWDACPBCE-LBPRGKRZSA-N 1 0 395.257 2.186 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C[NH2+]1 ZINC000883593594 653847044 /nfs/dbraw/zinc/84/70/44/653847044.db2.gz MZLZIYSBLTUITF-PSASIEDQSA-N 1 0 383.246 2.042 20 0 GEADRO CC(C)C[C@H](NC(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)C(=O)NCC[NH+](C)C ZINC000845408831 653847256 /nfs/dbraw/zinc/84/72/56/653847256.db2.gz RUXUCCYIHZSVJC-JQFCIGGWSA-N 1 0 378.920 2.083 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)Nc1ccc(Cl)cc1Cl)C2 ZINC000883622506 653848018 /nfs/dbraw/zinc/84/80/18/653848018.db2.gz RKYIBGKCLVOARG-UHFFFAOYSA-N 1 0 385.276 2.432 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000883627488 653848399 /nfs/dbraw/zinc/84/83/99/653848399.db2.gz DLXQKVTVIYHFPZ-UHFFFAOYSA-N 1 0 390.228 2.396 20 0 GEADRO O[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Cc1ccccc1F ZINC000895750161 653848563 /nfs/dbraw/zinc/84/85/63/653848563.db2.gz WTLBCSHFVKSCTC-ZDUSSCGKSA-N 1 0 385.892 2.465 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1cscc1Br ZINC000883638736 653848664 /nfs/dbraw/zinc/84/86/64/653848664.db2.gz VLAAMVXHEIFNJN-CYBMUJFWSA-N 1 0 390.347 2.301 20 0 GEADRO Cn1ncc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)c1C(F)(F)F ZINC000866926393 653850577 /nfs/dbraw/zinc/85/05/77/653850577.db2.gz YWDCZJQYDIISAV-UHFFFAOYSA-N 1 0 382.452 2.324 20 0 GEADRO COC[C@]1(c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)CC[NH2+]C1 ZINC000823042688 653851278 /nfs/dbraw/zinc/85/12/78/653851278.db2.gz IPFVQBQQXSHRDA-INIZCTEOSA-N 1 0 385.251 2.435 20 0 GEADRO CO[C@H](C[NH3+])Cc1nc(C2(c3cccc(Br)c3)CCOCC2)no1 ZINC000823075903 653852865 /nfs/dbraw/zinc/85/28/65/653852865.db2.gz ZZXXCRDDLHNRPA-AWEZNQCLSA-N 1 0 396.285 2.445 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000895875344 653854351 /nfs/dbraw/zinc/85/43/51/653854351.db2.gz MFUDXERMFYQIKI-IAGOWNOFSA-N 1 0 395.297 2.070 20 0 GEADRO Ic1cnc2c(-c3noc(C[C@@H]4CC[NH2+]C4)n3)cccn12 ZINC000823116836 653854482 /nfs/dbraw/zinc/85/44/82/653854482.db2.gz ZTUWEYDDXBQITH-VIFPVBQESA-N 1 0 395.204 2.141 20 0 GEADRO C[C@]12CC[N@H+](C[C@@H](O)CN3C(=O)c4ccccc4C3=O)C[C@H]1C2(Cl)Cl ZINC000792911911 653855588 /nfs/dbraw/zinc/85/55/88/653855588.db2.gz RNKQJBHMQSDHKF-ZLENFMNRSA-N 1 0 383.275 2.159 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)NCc2cc3cc(Br)ccc3o2)CC1 ZINC000883945106 653856836 /nfs/dbraw/zinc/85/68/36/653856836.db2.gz DSSZUZNOHMSGEV-UHFFFAOYSA-N 1 0 396.285 2.451 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)nc1Br ZINC000792969465 653858125 /nfs/dbraw/zinc/85/81/25/653858125.db2.gz PGHSZIVZBSODPZ-YPMHNXCESA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000792971058 653858479 /nfs/dbraw/zinc/85/84/79/653858479.db2.gz ZGWYGNPJFFXWDC-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO O=C(CNC(=O)NCCC[C@@H]1CC1(Cl)Cl)NCC[NH+]1CCCCCC1 ZINC000845683888 653859539 /nfs/dbraw/zinc/85/95/39/653859539.db2.gz WRESHICIVZECTQ-CQSZACIVSA-N 1 0 393.359 2.252 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866985747 653860250 /nfs/dbraw/zinc/86/02/50/653860250.db2.gz LGZVJLNOOCFATO-ZYHUDNBSSA-N 1 0 386.930 2.450 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884017688 653860594 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O=C(NCCc1ccc(I)s1)[C@@]12CC[N@H+](C1)CCC2 ZINC000896097130 653864402 /nfs/dbraw/zinc/86/44/02/653864402.db2.gz OSBDJDHJOOPGHW-AWEZNQCLSA-N 1 0 390.290 2.497 20 0 GEADRO [NH3+][C@@H](C(=O)NCCCN1CCCCCC1=O)c1ccc(Br)cc1 ZINC000884056601 653861647 /nfs/dbraw/zinc/86/16/47/653861647.db2.gz DKUDXFWFXLNJGI-MRXNPFEDSA-N 1 0 382.302 2.358 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000896048158 653862165 /nfs/dbraw/zinc/86/21/65/653862165.db2.gz BOPHQMFUAVWENP-YOEHRIQHSA-N 1 0 395.297 2.070 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866995200 653862223 /nfs/dbraw/zinc/86/22/23/653862223.db2.gz AFPVNLQXALPPMG-FRRDWIJNSA-N 1 0 394.324 2.261 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866995202 653862232 /nfs/dbraw/zinc/86/22/32/653862232.db2.gz AFPVNLQXALPPMG-UPJWGTAASA-N 1 0 394.324 2.261 20 0 GEADRO O=C(NCc1csc(Br)c1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884091117 653863187 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CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884135056 653865315 /nfs/dbraw/zinc/86/53/15/653865315.db2.gz ZZBFQYLHEOHCPE-LLVKDONJSA-N 1 0 375.441 2.299 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)N=[S@](C)(=O)c3ccccc3)C2)CC1 ZINC000867012491 653865543 /nfs/dbraw/zinc/86/55/43/653865543.db2.gz MLVUWYWXGGMXBX-UPCLLVRISA-N 1 0 385.555 2.052 20 0 GEADRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884149767 653865950 /nfs/dbraw/zinc/86/59/50/653865950.db2.gz UNKMDSUICFPMAQ-GJZGRUSLSA-N 1 0 390.933 2.314 20 0 GEADRO CO[C@@H](C)c1noc(CN(C)C(=O)[C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884170470 653866609 /nfs/dbraw/zinc/86/66/09/653866609.db2.gz XUDSGGXOYCMATF-TVQRCGJNSA-N 1 0 383.246 2.198 20 0 GEADRO Cn1cc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)n1 ZINC000896158580 653866871 /nfs/dbraw/zinc/86/68/71/653866871.db2.gz XVGDCXXISVODGX-OAHLLOKOSA-N 1 0 391.313 2.477 20 0 GEADRO CCOC(=O)c1csc(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884221334 653868294 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CC[N@H+](CCC1CCN(S(=O)(=O)N=[S@@](C)(=O)CC)CC1)CC1CC1 ZINC000867049883 653870988 /nfs/dbraw/zinc/87/09/88/653870988.db2.gz ORAJUDQEVUNDDQ-QHCPKHFHSA-N 1 0 379.592 2.183 20 0 GEADRO Cn1cnc(S(=O)(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1Cl ZINC000845954975 653872182 /nfs/dbraw/zinc/87/21/82/653872182.db2.gz AWYMQGUDYURHTI-GFCCVEGCSA-N 1 0 391.324 2.351 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(Cl)cn1 ZINC000823572750 653872170 /nfs/dbraw/zinc/87/21/70/653872170.db2.gz ZYRDUQUBZFHJBQ-UHFFFAOYSA-N 1 0 385.917 2.229 20 0 GEADRO COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884323320 653872429 /nfs/dbraw/zinc/87/24/29/653872429.db2.gz LAYFDVOHGFUXFR-ZJUUUORDSA-N 1 0 383.164 2.059 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000867064151 653873558 /nfs/dbraw/zinc/87/35/58/653873558.db2.gz HNLXMGMVYZUEHC-RKNYENMMSA-N 1 0 391.534 2.189 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884348832 653873783 /nfs/dbraw/zinc/87/37/83/653873783.db2.gz HTVUSMIPCAQMIK-KKUMJFAQSA-N 1 0 383.945 2.434 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884361093 653874151 /nfs/dbraw/zinc/87/41/51/653874151.db2.gz LYBINFZMBDDZBM-CHWSQXEVSA-N 1 0 389.315 2.017 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccc(Br)cc1 ZINC000884378636 653874793 /nfs/dbraw/zinc/87/47/93/653874793.db2.gz YUSRYNSRUMJYDO-INIZCTEOSA-N 1 0 393.260 2.332 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000896354745 653875620 /nfs/dbraw/zinc/87/56/20/653875620.db2.gz OPOVIGCTOTWJIF-UHFFFAOYSA-N 1 0 379.448 2.326 20 0 GEADRO Cn1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(Br)n1 ZINC000884404381 653875845 /nfs/dbraw/zinc/87/58/45/653875845.db2.gz KHKHAUGPSAAGNP-TZMCWYRMSA-N 1 0 381.249 2.197 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884407812 653875847 /nfs/dbraw/zinc/87/58/47/653875847.db2.gz OBOVAMWRGCRJRN-UHFFFAOYSA-N 1 0 396.676 2.247 20 0 GEADRO CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884417129 653876264 /nfs/dbraw/zinc/87/62/64/653876264.db2.gz YMFPYAISJQVEHP-HIFRSBDPSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2nn3c(c2Br)CCC3)CC[C@@H]1C(F)(F)F ZINC000884433236 653876476 /nfs/dbraw/zinc/87/64/76/653876476.db2.gz DIJSWHMRPDJYQD-IUCAKERBSA-N 1 0 395.223 2.191 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000793478622 653878967 /nfs/dbraw/zinc/87/89/67/653878967.db2.gz NERNBZNRCZNZRG-UHFFFAOYSA-N 1 0 392.541 2.405 20 0 GEADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884522516 653879684 /nfs/dbraw/zinc/87/96/84/653879684.db2.gz AEVQAWNYRCTIBR-QLFBSQMISA-N 1 0 379.913 2.346 20 0 GEADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C[C@@H]1Oc1ccccc1 ZINC000793528179 653879711 /nfs/dbraw/zinc/87/97/11/653879711.db2.gz SERBXSYDRVHITJ-SJORKVTESA-N 1 0 384.567 2.201 20 0 GEADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2cccc(Br)c2C1 ZINC000896446465 653880477 /nfs/dbraw/zinc/88/04/77/653880477.db2.gz XHKOTIJLWURBDQ-UHFFFAOYSA-N 1 0 379.298 2.445 20 0 GEADRO CC1(C)CC[C@@H](CNC(=O)C(=O)NCc2sccc2Br)[NH2+]C1 ZINC000884544907 653880494 /nfs/dbraw/zinc/88/04/94/653880494.db2.gz SUSDXMQMDZTRPA-JTQLQIEISA-N 1 0 388.331 2.021 20 0 GEADRO O=C(c1c[nH]nc1I)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000896500107 653881567 /nfs/dbraw/zinc/88/15/67/653881567.db2.gz ZMVFMEJGCIHDFZ-UHFFFAOYSA-N 1 0 388.253 2.105 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000846021206 653881597 /nfs/dbraw/zinc/88/15/97/653881597.db2.gz BFROYLTVGXWOKM-CYBMUJFWSA-N 1 0 397.372 2.314 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000867120568 653882018 /nfs/dbraw/zinc/88/20/18/653882018.db2.gz DONBYYJYWNOBBX-UHFFFAOYSA-N 1 0 391.940 2.315 20 0 GEADRO Cn1nc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1Br ZINC000823911546 653882613 /nfs/dbraw/zinc/88/26/13/653882613.db2.gz KHEIMGMWAHMMCL-UHFFFAOYSA-N 1 0 377.286 2.183 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCc1ccsc1Br)[NH+]1CCCCC1 ZINC000793696014 653882772 /nfs/dbraw/zinc/88/27/72/653882772.db2.gz DYWFPKFVJBIIRU-LLVKDONJSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@H]1C[N@H+](C)CCN1C ZINC000896537439 653883039 /nfs/dbraw/zinc/88/30/39/653883039.db2.gz YQEPMKBUBRVKAG-JGGQBBKZSA-N 1 0 396.329 2.066 20 0 GEADRO C[C@@H](NC(=O)Cc1ccc(Br)c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896544218 653883954 /nfs/dbraw/zinc/88/39/54/653883954.db2.gz DQCYTZWIHAJXOW-IAQYHMDHSA-N 1 0 388.737 2.396 20 0 GEADRO C[C@H](NC(=O)c1c(F)ccc(Br)c1F)[C@H]1C[N@H+](C)CCN1C ZINC000896545212 653883971 /nfs/dbraw/zinc/88/39/71/653883971.db2.gz PMKUTCLLCWMQFJ-JOYOIKCWSA-N 1 0 376.245 2.091 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896543444 653884194 /nfs/dbraw/zinc/88/41/94/653884194.db2.gz XYHOFDKFYHBASL-DOMZBBRYSA-N 1 0 384.318 2.130 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884686099 653884298 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375.916 2.290 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824772676 653908205 /nfs/dbraw/zinc/90/82/05/653908205.db2.gz GVTSXCNIRAZEPF-AWEZNQCLSA-N 1 0 395.356 2.353 20 0 GEADRO CC[S@@](C)(=O)=NS(=O)(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000867283093 653908859 /nfs/dbraw/zinc/90/88/59/653908859.db2.gz DAWJAQJSBFHPLE-MZNJEOGPSA-N 1 0 387.571 2.241 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ncc(Br)c2cccnc21 ZINC000897216282 653910602 /nfs/dbraw/zinc/91/06/02/653910602.db2.gz NZTTVKWLNAVZSZ-LSDHHAIUSA-N 1 0 377.286 2.428 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ncnc2cc(Br)sc21 ZINC000897220250 653911280 /nfs/dbraw/zinc/91/12/80/653911280.db2.gz VDWPYAJFYFLUGG-VXGBXAGGSA-N 1 0 383.315 2.489 20 0 GEADRO Brc1c(CNC[C@H]2CC[N@@H+]2C2CCOCC2)nc2ccccn21 ZINC000897228939 653911803 /nfs/dbraw/zinc/91/18/03/653911803.db2.gz QNUNYVLYAMKBIS-CQSZACIVSA-N 1 0 379.302 2.440 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c(Cl)cc1Cl ZINC000867308264 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GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000825015951 653915011 /nfs/dbraw/zinc/91/50/11/653915011.db2.gz WCESYTVWXZUVCS-CQSZACIVSA-N 1 0 387.705 2.317 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000867323356 653915992 /nfs/dbraw/zinc/91/59/92/653915992.db2.gz CVAYMNZEYBFGHJ-UHFFFAOYSA-N 1 0 397.722 2.293 20 0 GEADRO C[NH+](C)CC1CN(S(=O)(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000867323208 653916011 /nfs/dbraw/zinc/91/60/11/653916011.db2.gz AEHBCYNMKFIOEF-UHFFFAOYSA-N 1 0 387.299 2.006 20 0 GEADRO C[NH+]1CCC(CCNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000825084437 653917027 /nfs/dbraw/zinc/91/70/27/653917027.db2.gz OAQLVOYLYNSIEK-UHFFFAOYSA-N 1 0 378.416 2.442 20 0 GEADRO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c(Cl)n1 ZINC000897339641 653917045 /nfs/dbraw/zinc/91/70/45/653917045.db2.gz FGDLIRSPIZVHRO-CYBMUJFWSA-N 1 0 380.901 2.140 20 0 GEADRO CC[C@H](C)[NH+]1CCN(Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000825098380 653917487 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C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(Br)cn1 ZINC000794809877 653921136 /nfs/dbraw/zinc/92/11/36/653921136.db2.gz RRPYZFXOCFGNOY-GFCCVEGCSA-N 1 0 390.347 2.004 20 0 GEADRO COc1cc(OC)c(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1Br ZINC000897444924 653921920 /nfs/dbraw/zinc/92/19/20/653921920.db2.gz WFHATTGMJSTDLY-LLVKDONJSA-N 1 0 385.258 2.126 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)Cc1ccns1)c1ccsc1 ZINC000897448707 653922135 /nfs/dbraw/zinc/92/21/35/653922135.db2.gz VNEYIUVIMWCACE-HNNXBMFYSA-N 1 0 380.539 2.362 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000825249372 653922770 /nfs/dbraw/zinc/92/27/70/653922770.db2.gz FDWHTLROYGXEPO-HNNXBMFYSA-N 1 0 387.933 2.241 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000897472212 653923365 /nfs/dbraw/zinc/92/33/65/653923365.db2.gz QJBJWSVDTDXWSK-GXTWGEPZSA-N 1 0 382.306 2.427 20 0 GEADRO CCn1nc(C)c(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)n1 ZINC000825310977 653924482 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CC[NH+]1CCC(n2nccc2NC(=O)c2cc(Br)n(C)n2)CC1 ZINC000825624758 653935675 /nfs/dbraw/zinc/93/56/75/653935675.db2.gz RAZLEQLBJCNZKU-UHFFFAOYSA-N 1 0 381.278 2.288 20 0 GEADRO O=C(c1cnc(F)c(Br)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000847580038 653935762 /nfs/dbraw/zinc/93/57/62/653935762.db2.gz OVOCJPUFOQFFFT-CYBMUJFWSA-N 1 0 386.265 2.310 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000847608811 653937331 /nfs/dbraw/zinc/93/73/31/653937331.db2.gz YHEOGSDYJWMQJK-OLZOCXBDSA-N 1 0 395.301 2.224 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000847608673 653937355 /nfs/dbraw/zinc/93/73/55/653937355.db2.gz WIPDPSDSZDTBDJ-TZMCWYRMSA-N 1 0 395.301 2.224 20 0 GEADRO O=C(NCCc1c[nH]c2cccc(Br)c12)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897796154 653938219 /nfs/dbraw/zinc/93/82/19/653938219.db2.gz RCLAFVRSQURNQD-AWEZNQCLSA-N 1 0 392.297 2.310 20 0 GEADRO C[C@@H]1CN(C(=O)c2nc(F)ccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000847630711 653938420 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C[N@@H+]1CCC[C@](O)(CC(=O)N2CC(Cc3ccc(Br)cc3)C2)C1 ZINC000885687167 653944634 /nfs/dbraw/zinc/94/46/34/653944634.db2.gz SLCVJEQGBGOMJI-SFHVURJKSA-N 1 0 381.314 2.297 20 0 GEADRO C[N@@H+]1CC[C@H](CCOC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000847826901 653946341 /nfs/dbraw/zinc/94/63/41/653946341.db2.gz FKJMMABSOYHBGW-CQSZACIVSA-N 1 0 386.539 2.421 20 0 GEADRO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000795334375 653946313 /nfs/dbraw/zinc/94/63/13/653946313.db2.gz MMQMRVNSJAGHIP-IAQYHMDHSA-N 1 0 388.233 2.447 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC[C@@H]2CC[N@@H+](C)C2)s1 ZINC000847823217 653946421 /nfs/dbraw/zinc/94/64/21/653946421.db2.gz DLXMPLDOYDGSBV-GJZGRUSLSA-N 1 0 386.539 2.095 20 0 GEADRO COc1cc(C[C@H](C)[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)ccn1 ZINC000897978222 653947197 /nfs/dbraw/zinc/94/71/97/653947197.db2.gz MXVKNOVBYUYKBL-HZMBPMFUSA-N 1 0 391.269 2.332 20 0 GEADRO COc1cc(C[C@H](C)[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)ccn1 ZINC000897978223 653947344 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COc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1Br ZINC000885857362 653960114 /nfs/dbraw/zinc/96/01/14/653960114.db2.gz BPQMGLWEZYWLQZ-CQSZACIVSA-N 1 0 383.286 2.441 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)C(=O)c1ccc(Br)cc1 ZINC000885868287 653960442 /nfs/dbraw/zinc/96/04/42/653960442.db2.gz DQMNKOPRGKWFQL-OAHLLOKOSA-N 1 0 381.270 2.001 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1[nH]nc(C2CC2)c1Br ZINC000885866343 653960480 /nfs/dbraw/zinc/96/04/80/653960480.db2.gz URNBMUKTKSFNKX-GFCCVEGCSA-N 1 0 383.290 2.033 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1Br ZINC000885870134 653960752 /nfs/dbraw/zinc/96/07/52/653960752.db2.gz YNYDHCLYSYUUFK-LBPRGKRZSA-N 1 0 385.306 2.279 20 0 GEADRO COC(=O)c1ccc(C[NH2+]Cc2cnc3n2CCOC3)cc1Br ZINC000898263425 653961001 /nfs/dbraw/zinc/96/10/01/653961001.db2.gz HJCMOVIQXJFHSX-UHFFFAOYSA-N 1 0 380.242 2.252 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cn2ccnc12 ZINC000885892681 653962165 /nfs/dbraw/zinc/96/21/65/653962165.db2.gz 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Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)c(Cl)n1 ZINC000849414628 654027576 /nfs/dbraw/zinc/02/75/76/654027576.db2.gz NLFMDAYMZZRPHR-UHFFFAOYSA-N 1 0 387.933 2.213 20 0 GEADRO C[N@H+](CCO)CCNC(=O)Nc1cc(Br)ccc1Br ZINC000887222309 654027869 /nfs/dbraw/zinc/02/78/69/654027869.db2.gz JICSXCZKHZJNCC-UHFFFAOYSA-N 1 0 395.095 2.257 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000868285045 654027763 /nfs/dbraw/zinc/02/77/63/654027763.db2.gz FZLLNXWVVJCRSD-RKDXNWHRSA-N 1 0 379.766 2.168 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)c1F ZINC000868289307 654028108 /nfs/dbraw/zinc/02/81/08/654028108.db2.gz IPBVILYYIOULOP-UHFFFAOYSA-N 1 0 384.249 2.317 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1ccc(F)cc1Br ZINC000868305671 654029306 /nfs/dbraw/zinc/02/93/06/654029306.db2.gz DJDYSLKBHRCPAO-YHPBZONMSA-N 1 0 384.249 2.174 20 0 GEADRO O=C(Cc1ccc(Br)cc1Cl)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868342318 654031454 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CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]Cc2ccc(F)c(F)c2)CCC1 ZINC000899874986 654035463 /nfs/dbraw/zinc/03/54/63/654035463.db2.gz BAJZKVNJXGGYHW-OAHLLOKOSA-N 1 0 376.469 2.056 20 0 GEADRO O[C@H](C[NH+]1CC(Cc2ccc(Br)cc2)C1)CC1(O)CCOCC1 ZINC000899898288 654036115 /nfs/dbraw/zinc/03/61/15/654036115.db2.gz DSDKUNSLMKPCEO-KRWDZBQOSA-N 1 0 384.314 2.216 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1cccc(Br)c1 ZINC000868446133 654036723 /nfs/dbraw/zinc/03/67/23/654036723.db2.gz TXRUFZFKYSBCOD-MLGOLLRUSA-N 1 0 384.318 2.471 20 0 GEADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)nc(Cl)c2)cc1 ZINC000797597118 654037220 /nfs/dbraw/zinc/03/72/20/654037220.db2.gz AAJKFOVGTRBGGJ-UHFFFAOYSA-N 1 0 383.901 2.258 20 0 GEADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000797770279 654040739 /nfs/dbraw/zinc/04/07/39/654040739.db2.gz NTOAMXLZPVHMEF-NSHDSACASA-N 1 0 388.331 2.200 20 0 GEADRO COC[C@@H](NC(=O)COC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000828545009 654041427 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COc1ccc(Br)c(S(=O)(=O)NC(C)(C)C[NH+](C)C)c1F ZINC000916203188 654087708 /nfs/dbraw/zinc/08/77/08/654087708.db2.gz LNUAOBRPYPBLBN-UHFFFAOYSA-N 1 0 383.283 2.215 20 0 GEADRO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)c1c[nH]nc1Cl ZINC000829999122 654090727 /nfs/dbraw/zinc/09/07/27/654090727.db2.gz VIJVLOFQTPGWHR-UHFFFAOYSA-N 1 0 386.905 2.262 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2csc(I)n2)C1 ZINC000829999410 654091024 /nfs/dbraw/zinc/09/10/24/654091024.db2.gz CXYMWRMROXDITN-JTQLQIEISA-N 1 0 393.294 2.455 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1(C)CC1(Br)Br ZINC000830015716 654092385 /nfs/dbraw/zinc/09/23/85/654092385.db2.gz BTJXCQROEKINEO-UBHAPETDSA-N 1 0 380.124 2.481 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cnn2cccc(Br)c12 ZINC000830021117 654093111 /nfs/dbraw/zinc/09/31/11/654093111.db2.gz GXWZJBROJAIBHD-UONOGXRCSA-N 1 0 395.326 2.406 20 0 GEADRO CCn1c(Br)ncc1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000900926372 654093954 /nfs/dbraw/zinc/09/39/54/654093954.db2.gz RRMYVCZOHUZKLF-CYBMUJFWSA-N 1 0 387.322 2.238 20 0 GEADRO CC(=O)N[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000869416784 654095233 /nfs/dbraw/zinc/09/52/33/654095233.db2.gz SXRUEZZKNUCXIV-YOEHRIQHSA-N 1 0 396.329 2.474 20 0 GEADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000900932267 654096584 /nfs/dbraw/zinc/09/65/84/654096584.db2.gz LJPWGMVQYMFQRL-CQSZACIVSA-N 1 0 377.286 2.452 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000900933521 654097362 /nfs/dbraw/zinc/09/73/62/654097362.db2.gz LFRMIBUCQZLFCK-QGZVFWFLSA-N 1 0 399.329 2.488 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)COCCc2ccc(Br)cc2)cn1 ZINC000888754484 654101231 /nfs/dbraw/zinc/10/12/31/654101231.db2.gz GYVFRQBVPIQJGV-UHFFFAOYSA-N 1 0 395.301 2.405 20 0 GEADRO CC1CC[NH+](CCNC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000916689061 654105094 /nfs/dbraw/zinc/10/50/94/654105094.db2.gz QYUHSXRNPUWSBA-UHFFFAOYSA-N 1 0 392.301 2.492 20 0 GEADRO CCn1c(Br)ncc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000901118374 654110515 /nfs/dbraw/zinc/11/05/15/654110515.db2.gz NVOZZGSRFWWQOG-DZGCQCFKSA-N 1 0 399.333 2.163 20 0 GEADRO Cc1csc(C)c1S(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000917237768 654117367 /nfs/dbraw/zinc/11/73/67/654117367.db2.gz UDQBNPSPVSLKIT-KRWDZBQOSA-N 1 0 380.535 2.410 20 0 GEADRO CN1CCN(C(=O)CCc2cc(Br)ccc2F)CC[N@H+](C)CC1 ZINC000888989077 654118527 /nfs/dbraw/zinc/11/85/27/654118527.db2.gz ZDALZOBLEXJVDD-UHFFFAOYSA-N 1 0 386.309 2.227 20 0 GEADRO CN1CCN(C(=O)CCc2cc(F)ccc2Br)CC[N@H+](C)CC1 ZINC000888986680 654118578 /nfs/dbraw/zinc/11/85/78/654118578.db2.gz QEBQEHXFSVIWNA-UHFFFAOYSA-N 1 0 386.309 2.227 20 0 GEADRO O=C(CCN1C(=S)N=NC1c1cccs1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917295557 654118774 /nfs/dbraw/zinc/11/87/74/654118774.db2.gz INNVQIVLWFCHHT-CHWSQXEVSA-N 1 0 377.539 2.428 20 0 GEADRO CN1CCN(C(=O)c2cc3cc(Br)sc3[nH]2)CC[N@H+](C)CC1 ZINC000888993988 654119103 /nfs/dbraw/zinc/11/91/03/654119103.db2.gz PHTLHXRIVNLWRV-UHFFFAOYSA-N 1 0 385.331 2.311 20 0 GEADRO C[NH+]1CCC(CNC(=S)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799899655 654119430 /nfs/dbraw/zinc/11/94/30/654119430.db2.gz DTJYUGKPJRYMGB-HNNXBMFYSA-N 1 0 386.359 2.288 20 0 GEADRO COc1cc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc(OC)c1Br ZINC000901331283 654120650 /nfs/dbraw/zinc/12/06/50/654120650.db2.gz SDVDPEUIUPZOKS-INIZCTEOSA-N 1 0 387.274 2.252 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1nc(F)ccc1Br ZINC000869761988 654120765 /nfs/dbraw/zinc/12/07/65/654120765.db2.gz AQMSXLPPJBXDBM-UHFFFAOYSA-N 1 0 388.281 2.414 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000799943904 654121927 /nfs/dbraw/zinc/12/19/27/654121927.db2.gz MLDQECXRBALWFC-PJODQICGSA-N 1 0 382.302 2.407 20 0 GEADRO COc1ccc(CCC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c(Br)c1 ZINC000869776184 654121957 /nfs/dbraw/zinc/12/19/57/654121957.db2.gz ZNWYVOKAOBNBDT-AWEZNQCLSA-N 1 0 399.329 2.352 20 0 GEADRO CS(=O)(=O)CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000830515017 654123441 /nfs/dbraw/zinc/12/34/41/654123441.db2.gz OLYONYIJDDJKQJ-CYBMUJFWSA-N 1 0 393.290 2.200 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC[N@@H+]1C ZINC000889163032 654126933 /nfs/dbraw/zinc/12/69/33/654126933.db2.gz DVQSDXXEKDLZFT-DJSGYFEHSA-N 1 0 395.297 2.472 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000917529528 654127186 /nfs/dbraw/zinc/12/71/86/654127186.db2.gz ZYLYMGSMOUSOHA-UHFFFAOYSA-N 1 0 397.360 2.024 20 0 GEADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCCC[NH+]1CCCCC1 ZINC000800079249 654127877 /nfs/dbraw/zinc/12/78/77/654127877.db2.gz PHCYXNWEXSDTKJ-UHFFFAOYSA-N 1 0 388.917 2.428 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCCC[NH+]2CCCC2)s1 ZINC000800106103 654129722 /nfs/dbraw/zinc/12/97/22/654129722.db2.gz BTFYKTZNNXHSFI-HNNXBMFYSA-N 1 0 386.539 2.239 20 0 GEADRO CN(C)[C@H](CC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C(F)(F)F ZINC000901591181 654132739 /nfs/dbraw/zinc/13/27/39/654132739.db2.gz YKEZHXFKQNUASS-VXGBXAGGSA-N 1 0 382.224 2.448 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(Br)cc1 ZINC000901606786 654134134 /nfs/dbraw/zinc/13/41/34/654134134.db2.gz JDESKSARWBEIBP-HUUCEWRRSA-N 1 0 383.286 2.293 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000901606444 654134196 /nfs/dbraw/zinc/13/41/96/654134196.db2.gz FLPZMMGRBMBTMS-HUUCEWRRSA-N 1 0 383.286 2.293 20 0 GEADRO Cc1c(Br)cccc1CCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000917836114 654135482 /nfs/dbraw/zinc/13/54/82/654135482.db2.gz DEHZSYGIZRTEIQ-UHFFFAOYSA-N 1 0 384.318 2.056 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000918396555 654150783 /nfs/dbraw/zinc/15/07/83/654150783.db2.gz ROZPDYAQAFLYHY-GFCCVEGCSA-N 1 0 378.274 2.244 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000918727799 654159864 /nfs/dbraw/zinc/15/98/64/654159864.db2.gz NHOQHOFOGJPLLI-BBRMVZONSA-N 1 0 384.571 2.068 20 0 GEADRO C[C@H]1CN(C(=O)CONC(=[NH2+])COc2ccc(Cl)cc2Cl)CCO1 ZINC000918734133 654159971 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[NH3+][C@@H](C(=O)NCCc1cn2c(n1)CCCC2)c1cccc(Br)c1 ZINC000870862322 654200819 /nfs/dbraw/zinc/20/08/19/654200819.db2.gz JXHVFUZCHQTLEZ-MRXNPFEDSA-N 1 0 377.286 2.341 20 0 GEADRO O=C(NCCN1CCc2sccc2C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870873104 654201614 /nfs/dbraw/zinc/20/16/14/654201614.db2.gz YXIXVZWXEHKLHV-UHFFFAOYSA-N 1 0 376.551 2.460 20 0 GEADRO CCO[C@H](CNC(=O)Cc1noc2ccc(Br)cc12)C[NH+](C)C ZINC000831708685 654201697 /nfs/dbraw/zinc/20/16/97/654201697.db2.gz UPXWZEVHZCPKLV-GFCCVEGCSA-N 1 0 384.274 2.216 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc(Cl)s1 ZINC000902886739 654202293 /nfs/dbraw/zinc/20/22/93/654202293.db2.gz UHSDDULGGFMZER-LYEQHPFYSA-N 1 0 376.931 2.083 20 0 GEADRO O=C(CCC12CC(C1)C[NH2+]2)NCCCNC(=O)c1ccc(Br)cc1 ZINC000870878828 654202550 /nfs/dbraw/zinc/20/25/50/654202550.db2.gz SHTZQFGFAYNLEM-UHFFFAOYSA-N 1 0 394.313 2.217 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000851895066 654202536 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CCO[C@@H](CNC(=O)c1cccc(C)c1I)C[NH+](C)C ZINC000831766352 654207691 /nfs/dbraw/zinc/20/76/91/654207691.db2.gz NXHNGCGVDWYTIR-LBPRGKRZSA-N 1 0 390.265 2.296 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)ccc1Cl ZINC000920273457 654208092 /nfs/dbraw/zinc/20/80/92/654208092.db2.gz HNWRGBZSIBRQQU-ZJPYXAASSA-N 1 0 386.945 2.406 20 0 GEADRO CCC[N@H+](C)CC(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890202977 654208306 /nfs/dbraw/zinc/20/83/06/654208306.db2.gz XDDCIWLEWOLVSA-UHFFFAOYSA-N 1 0 383.212 2.348 20 0 GEADRO CCS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000903005371 654208973 /nfs/dbraw/zinc/20/89/73/654208973.db2.gz VRDYTNISSAQGRQ-UHFFFAOYSA-N 1 0 391.896 2.211 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)C2 ZINC000920281849 654209018 /nfs/dbraw/zinc/20/90/18/654209018.db2.gz IBLHIUXHQCYFTJ-YIKOMLBNSA-N 1 0 378.947 2.160 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000851981460 654210210 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COC(=O)C(C)(C)n1cc(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)cn1 ZINC000870956388 654214278 /nfs/dbraw/zinc/21/42/78/654214278.db2.gz UDHNHRZHZKDTFK-CYBMUJFWSA-N 1 0 395.257 2.192 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000870959170 654214307 /nfs/dbraw/zinc/21/43/07/654214307.db2.gz WOKJQYCFFBDOHS-UHFFFAOYSA-N 1 0 395.305 2.127 20 0 GEADRO NC(=O)[C@](O)(C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000852041259 654215076 /nfs/dbraw/zinc/21/50/76/654215076.db2.gz NUBOJUOKHRTJGI-AEFFLSMTSA-N 1 0 383.275 2.380 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903079437 654215424 /nfs/dbraw/zinc/21/54/24/654215424.db2.gz AOXGOMDFBQVQDZ-QMMMGPOBSA-N 1 0 392.321 2.309 20 0 GEADRO CN1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)Cc2cccnc21 ZINC000871020980 654216272 /nfs/dbraw/zinc/21/62/72/654216272.db2.gz NBPHXAISLUIXKX-SFHVURJKSA-N 1 0 389.297 2.497 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852067313 654216281 /nfs/dbraw/zinc/21/62/81/654216281.db2.gz XKZMWAWTCOAIGE-ZOWXZIJZSA-N 1 0 388.295 2.189 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903113065 654217625 /nfs/dbraw/zinc/21/76/25/654217625.db2.gz LQBVIUPVFPUIGR-WDEREUQCSA-N 1 0 387.445 2.454 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852125081 654219320 /nfs/dbraw/zinc/21/93/20/654219320.db2.gz KKCJNXMVBRPBFC-XJKSGUPXSA-N 1 0 390.311 2.437 20 0 GEADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903125962 654219313 /nfs/dbraw/zinc/21/93/13/654219313.db2.gz QCDXCVQADKUIAC-LLVKDONJSA-N 1 0 399.456 2.456 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(F)c3Br)CC[C@H]21 ZINC000890429950 654219619 /nfs/dbraw/zinc/21/96/19/654219619.db2.gz JYTDNSWRVAQBJC-GXFFZTMASA-N 1 0 384.249 2.079 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000852128684 654219811 /nfs/dbraw/zinc/21/98/11/654219811.db2.gz WKOVTNQCMPCCMF-HNNXBMFYSA-N 1 0 390.311 2.437 20 0 GEADRO C[C@H]1CN(CCn2cnc(Br)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000852140051 654220631 /nfs/dbraw/zinc/22/06/31/654220631.db2.gz HLABSBSSAOIIIA-HNNXBMFYSA-N 1 0 378.318 2.495 20 0 GEADRO C[C@](CO)([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000852144101 654220887 /nfs/dbraw/zinc/22/08/87/654220887.db2.gz WHRHUDGXZDACOE-QZTJIDSGSA-N 1 0 383.275 2.164 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CCC1(C)C ZINC000871155225 654221852 /nfs/dbraw/zinc/22/18/52/654221852.db2.gz RGAZGXCEAQMYOB-UHFFFAOYSA-N 1 0 396.289 2.238 20 0 GEADRO C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000903156233 654222082 /nfs/dbraw/zinc/22/20/82/654222082.db2.gz QRAWUONHJSCCHT-CBCUQQMYSA-N 1 0 388.555 2.312 20 0 GEADRO C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000903156164 654222087 /nfs/dbraw/zinc/22/20/87/654222087.db2.gz OOQZMRMIFVMRGJ-OPFPJEHXSA-N 1 0 391.530 2.483 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)cc1C(F)(F)F ZINC000903159453 654222521 /nfs/dbraw/zinc/22/25/21/654222521.db2.gz OVVZJZNFJBVHMV-HUUCEWRRSA-N 1 0 379.400 2.147 20 0 GEADRO CS(=O)(=O)c1cc(C[NH2+][C@H]2CCO[C@@]23CCOC3)cc(C(F)(F)F)c1 ZINC000903167487 654223574 /nfs/dbraw/zinc/22/35/74/654223574.db2.gz ZEIOQEVWGHQKTE-LSDHHAIUSA-N 1 0 379.400 2.147 20 0 GEADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)CSC(F)F)c1 ZINC000832008258 654223858 /nfs/dbraw/zinc/22/38/58/654223858.db2.gz YUDUTLWFNGUTCA-UHFFFAOYSA-N 1 0 395.497 2.201 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000852187865 654224061 /nfs/dbraw/zinc/22/40/61/654224061.db2.gz QWMHALWAZAYAJW-HZPDHXFCSA-N 1 0 376.434 2.342 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCn2ncc(Br)c2C1 ZINC000852187893 654224158 /nfs/dbraw/zinc/22/41/58/654224158.db2.gz VQNFLJFHOWUNLF-CHWSQXEVSA-N 1 0 384.322 2.291 20 0 GEADRO O=S(=O)(c1cccc(Br)c1F)N1CCC([NH+]2CCC2)CC1 ZINC000903204131 654226259 /nfs/dbraw/zinc/22/62/59/654226259.db2.gz KACDCSOTQLTWSG-UHFFFAOYSA-N 1 0 377.279 2.447 20 0 GEADRO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903221577 654228004 /nfs/dbraw/zinc/22/80/04/654228004.db2.gz SQUDJRJCQWTWES-IRUJWGPZSA-N 1 0 385.429 2.206 20 0 GEADRO CSc1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)CCC2 ZINC000903225198 654228447 /nfs/dbraw/zinc/22/84/47/654228447.db2.gz FRWIAJGBVXXLOC-HNNXBMFYSA-N 1 0 376.569 2.433 20 0 GEADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000903227558 654228957 /nfs/dbraw/zinc/22/89/57/654228957.db2.gz UFJKUCABYDUPQN-CQSZACIVSA-N 1 0 387.552 2.074 20 0 GEADRO OCCOCC[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)C1CCC1 ZINC000852289913 654230589 /nfs/dbraw/zinc/23/05/89/654230589.db2.gz GHBMWEJWFUDAPQ-INIZCTEOSA-N 1 0 376.266 2.485 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N[C@H]1CCSC2(CC(C(=O)OC)C2)C1 ZINC000890603216 654231066 /nfs/dbraw/zinc/23/10/66/654231066.db2.gz TXALNUIUSYKLHM-CSLYMUCUSA-N 1 0 388.599 2.395 20 0 GEADRO O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000852307475 654231286 /nfs/dbraw/zinc/23/12/86/654231286.db2.gz ZBFUXARNWTUKSK-DLUDVSRJSA-N 1 0 383.480 2.394 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000921077431 654234917 /nfs/dbraw/zinc/23/49/17/654234917.db2.gz JAKJDAKTEHLHIF-GFCCVEGCSA-N 1 0 380.290 2.490 20 0 GEADRO Cn1nnnc1CCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000903352529 654235291 /nfs/dbraw/zinc/23/52/91/654235291.db2.gz WQXPXNDZJPYOAQ-XJKSGUPXSA-N 1 0 380.290 2.273 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000921088500 654235447 /nfs/dbraw/zinc/23/54/47/654235447.db2.gz MDCHMSMFWOGZSG-CYBMUJFWSA-N 1 0 378.344 2.123 20 0 GEADRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Br)c(F)c2)CCS(=O)(=O)C1 ZINC000903364761 654235888 /nfs/dbraw/zinc/23/58/88/654235888.db2.gz BIZUEDIHPVRHOO-QMTHXVAHSA-N 1 0 380.279 2.443 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)ccc1OC(F)F ZINC000903367390 654236766 /nfs/dbraw/zinc/23/67/66/654236766.db2.gz INFJBFBRZVTULR-BDJLRTHQSA-N 1 0 379.425 2.151 20 0 GEADRO CO[C@]1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCS(=O)(=O)C1 ZINC000903368525 654236775 /nfs/dbraw/zinc/23/67/75/654236775.db2.gz OJPTYGUKCANZNI-CVEARBPZSA-N 1 0 388.327 2.100 20 0 GEADRO NC(=O)NC(=O)OCCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000852408414 654237967 /nfs/dbraw/zinc/23/79/67/654237967.db2.gz YMTDOBCWJWPAMP-UHFFFAOYSA-N 1 0 375.256 2.310 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)cc1Br ZINC000903432272 654238887 /nfs/dbraw/zinc/23/88/87/654238887.db2.gz KOGFXQMKDSZCEE-LLVKDONJSA-N 1 0 382.258 2.461 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1ccncc1Cl)CCS2(=O)=O ZINC000903452615 654239890 /nfs/dbraw/zinc/23/98/90/654239890.db2.gz PDIFAYMNAKZTIU-QGXCKBJSSA-N 1 0 386.901 2.285 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H]1CCC[C@H]1CCCF)CCS2(=O)=O ZINC000903453465 654239954 /nfs/dbraw/zinc/23/99/54/654239954.db2.gz ZKIHAUKLZNXHGO-CFFMVQJASA-N 1 0 375.506 2.393 20 0 GEADRO O=S(=O)(CCN[C@@H]1CC[NH2+]C12CCCC2)c1ccc(Br)cc1 ZINC000903486980 654240710 /nfs/dbraw/zinc/24/07/10/654240710.db2.gz ZIVSPNJULDCVAN-OAHLLOKOSA-N 1 0 387.343 2.487 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1 ZINC000852458637 654241709 /nfs/dbraw/zinc/24/17/09/654241709.db2.gz JHRVSOFZMVOJKZ-VWLOTQADSA-N 1 0 379.448 2.249 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1F ZINC000903510820 654244091 /nfs/dbraw/zinc/24/40/91/654244091.db2.gz LCRIJIVLFIKAEW-KOLCDFICSA-N 1 0 395.294 2.487 20 0 GEADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000903513162 654244489 /nfs/dbraw/zinc/24/44/89/654244489.db2.gz VLOOVXUFUHBQLS-JTQLQIEISA-N 1 0 379.295 2.477 20 0 GEADRO C[C@@H](NS(=O)(=O)Cc1cccc(F)c1Br)[C@H]1CCC[NH2+]C1 ZINC000903513249 654244538 /nfs/dbraw/zinc/24/45/38/654244538.db2.gz ZSIXRVSFMNYTHI-MNOVXSKESA-N 1 0 379.295 2.396 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000903517142 654246429 /nfs/dbraw/zinc/24/64/29/654246429.db2.gz BMOYAQNPIQJINO-UHFFFAOYSA-N 1 0 391.306 2.494 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1 ZINC000890888336 654247672 /nfs/dbraw/zinc/24/76/72/654247672.db2.gz XKBUPHIEZXYAOC-UHFFFAOYSA-N 1 0 389.949 2.250 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCc2cc(F)c(Br)cc2C1 ZINC000903520722 654247662 /nfs/dbraw/zinc/24/76/62/654247662.db2.gz VKLUEZLRCHVEGR-UHFFFAOYSA-N 1 0 391.306 2.276 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1F ZINC000903521707 654248265 /nfs/dbraw/zinc/24/82/65/654248265.db2.gz CYSKGNFZEMVVDY-IUCAKERBSA-N 1 0 381.267 2.097 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000903522349 654248658 /nfs/dbraw/zinc/24/86/58/654248658.db2.gz MSKLADJVNNNDOV-UHFFFAOYSA-N 1 0 377.279 2.246 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1F ZINC000903522108 654248664 /nfs/dbraw/zinc/24/86/64/654248664.db2.gz LLJUDGFJDBNDGW-NXEZZACHSA-N 1 0 395.294 2.202 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1F ZINC000903525006 654249067 /nfs/dbraw/zinc/24/90/67/654249067.db2.gz JFQPFMONGQQJAZ-RKDXNWHRSA-N 1 0 381.267 2.016 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000921330260 654249343 /nfs/dbraw/zinc/24/93/43/654249343.db2.gz FXIFEPMOEMJEPQ-KGLIPLIRSA-N 1 0 384.322 2.307 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000921330259 654249394 /nfs/dbraw/zinc/24/93/94/654249394.db2.gz FXIFEPMOEMJEPQ-KBPBESRZSA-N 1 0 384.322 2.307 20 0 GEADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)Cc1cccc(F)c1Br ZINC000903525145 654249436 /nfs/dbraw/zinc/24/94/36/654249436.db2.gz APVAPZNONIHNDL-UHFFFAOYSA-N 1 0 377.279 2.374 20 0 GEADRO C[C@@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000903532895 654250686 /nfs/dbraw/zinc/25/06/86/654250686.db2.gz UBODWGISGPCOFX-LBPRGKRZSA-N 1 0 390.347 2.071 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c1F ZINC000903531017 654250754 /nfs/dbraw/zinc/25/07/54/654250754.db2.gz GNDHATRSYACDDZ-QLJPJBMISA-N 1 0 390.864 2.158 20 0 GEADRO [NH3+][C@@H]1CN(CC(=O)NCCCSc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000903535385 654251170 /nfs/dbraw/zinc/25/11/70/654251170.db2.gz SOMHUJOYMFDOBV-LSDHHAIUSA-N 1 0 375.460 2.497 20 0 GEADRO C[C@]12CCN(C(=O)[C@H]([NH3+])CC(F)F)C[C@H]1C2(Br)Br ZINC000852901655 654266475 /nfs/dbraw/zinc/26/64/75/654266475.db2.gz MXHTVHQYHKFOAZ-XSSZXYGBSA-N 1 0 390.066 2.323 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc1Cl ZINC000903537400 654251502 /nfs/dbraw/zinc/25/15/02/654251502.db2.gz TXCKDVMCSRTGAR-BZNIZROVSA-N 1 0 389.880 2.330 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901366 654266535 /nfs/dbraw/zinc/26/65/35/654266535.db2.gz GQIJGHGMQQEECU-UMNHJUIQSA-N 1 0 398.139 2.093 20 0 GEADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1ccc(F)cc1Br ZINC000903556747 654255199 /nfs/dbraw/zinc/25/51/99/654255199.db2.gz IQKHJHWOOWHJEN-UHFFFAOYSA-N 1 0 377.279 2.399 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903556299 654255236 /nfs/dbraw/zinc/25/52/36/654255236.db2.gz TYGJNWHSRZZWRQ-HZSPNIEDSA-N 1 0 390.933 2.359 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708331 654255412 /nfs/dbraw/zinc/25/54/12/654255412.db2.gz XMTQNDFFPYMTHZ-INIZCTEOSA-N 1 0 397.313 2.267 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1cc(Br)ccc1Cl ZINC000903562043 654256261 /nfs/dbraw/zinc/25/62/61/654256261.db2.gz VTSMWOGNHRNVKP-UHFFFAOYSA-N 1 0 396.738 2.121 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cnc2c(Br)csc2c1 ZINC000903562475 654256417 /nfs/dbraw/zinc/25/64/17/654256417.db2.gz DKDTXIZFEIQRHF-PPKCKEKNSA-N 1 0 388.312 2.230 20 0 GEADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901675 654266604 /nfs/dbraw/zinc/26/66/04/654266604.db2.gz NSGZAQADHSZARD-KLBPJQLPSA-N 1 0 380.124 2.339 20 0 GEADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000903566635 654257050 /nfs/dbraw/zinc/25/70/50/654257050.db2.gz WYVZVNDELXZNDS-UHFFFAOYSA-N 1 0 385.839 2.060 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2csc(I)n2)C1 ZINC000832296103 654257536 /nfs/dbraw/zinc/25/75/36/654257536.db2.gz IVRPVVFFTRTXPV-SECBINFHSA-N 1 0 379.267 2.350 20 0 GEADRO O=S(=O)(CCc1cccs1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903573190 654258706 /nfs/dbraw/zinc/25/87/06/654258706.db2.gz GSIAOKQROUIWMY-WMZOPIPTSA-N 1 0 378.519 2.466 20 0 GEADRO Cc1nc(C)c(S(=O)(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903573420 654258730 /nfs/dbraw/zinc/25/87/30/654258730.db2.gz IHURCOUHNXSKDV-PBHICJAKSA-N 1 0 379.507 2.294 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc(-c2cnn(C(C)C)c2I)n1 ZINC000871788585 654259569 /nfs/dbraw/zinc/25/95/69/654259569.db2.gz MNWVDTNRBIGZRG-QMMMGPOBSA-N 1 0 375.214 2.269 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852773926 654260352 /nfs/dbraw/zinc/26/03/52/654260352.db2.gz JMJFLYXSHFYMKM-HNNXBMFYSA-N 1 0 383.286 2.055 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3=O)CC[C@@H]1C(F)(F)F ZINC000903577984 654260417 /nfs/dbraw/zinc/26/04/17/654260417.db2.gz AFULLYHCZDZPHY-UONOGXRCSA-N 1 0 376.400 2.106 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000903577975 654260496 /nfs/dbraw/zinc/26/04/96/654260496.db2.gz ABQFKUZSJZYOQY-CBAPKCEASA-N 1 0 377.310 2.001 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC[C@H]1C(F)(F)F ZINC000903578083 654260805 /nfs/dbraw/zinc/26/08/05/654260805.db2.gz BIPIEJRLGSYORD-SCZZXKLOSA-N 1 0 392.321 2.327 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)[C@@H]1CCC[NH2+]C1 ZINC000871805217 654261163 /nfs/dbraw/zinc/26/11/63/654261163.db2.gz QPQUGEPTHOOYDJ-DGCLKSJQSA-N 1 0 385.917 2.281 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)=NO1 ZINC000852815877 654261192 /nfs/dbraw/zinc/26/11/92/654261192.db2.gz CWSSPOLPVXVULF-GXTWGEPZSA-N 1 0 385.251 2.027 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)=NO1 ZINC000852815879 654261232 /nfs/dbraw/zinc/26/12/32/654261232.db2.gz CWSSPOLPVXVULF-OCCSQVGLSA-N 1 0 385.251 2.027 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC[C@H]1C(F)(F)F ZINC000903580910 654261646 /nfs/dbraw/zinc/26/16/46/654261646.db2.gz ZNDYDDWGWIQALB-ZYHUDNBSSA-N 1 0 396.818 2.369 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC[C@H]1C(F)(F)F ZINC000903580909 654261682 /nfs/dbraw/zinc/26/16/82/654261682.db2.gz ZNDYDDWGWIQALB-PWSUYJOCSA-N 1 0 396.818 2.369 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c32)CC[C@@H]1C(F)(F)F ZINC000903580709 654261824 /nfs/dbraw/zinc/26/18/24/654261824.db2.gz XXWMJFRUEOEFSR-IONNQARKSA-N 1 0 382.795 2.117 20 0 GEADRO C[C@]12CCN(C(=O)[C@]3(C)CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852901596 654266656 /nfs/dbraw/zinc/26/66/56/654266656.db2.gz LFWVKVALUOEWAV-JLLWLGSASA-N 1 0 380.124 2.341 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000871811511 654262873 /nfs/dbraw/zinc/26/28/73/654262873.db2.gz PMGVJXXCUYRDCC-WPRPVWTQSA-N 1 0 376.322 2.463 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000852841379 654263180 /nfs/dbraw/zinc/26/31/80/654263180.db2.gz DEIUBFMVDWXHMH-NSHDSACASA-N 1 0 379.262 2.311 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903585232 654263586 /nfs/dbraw/zinc/26/35/86/654263586.db2.gz NFLFZIPHODGNLS-XHDPSFHLSA-N 1 0 389.315 2.101 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000871813398 654263624 /nfs/dbraw/zinc/26/36/24/654263624.db2.gz IKJBYMCGOPDVNC-ONGXEEELSA-N 1 0 399.822 2.056 20 0 GEADRO N[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000852858172 654263722 /nfs/dbraw/zinc/26/37/22/654263722.db2.gz SGJBPQYOTDRADW-YOEHRIQHSA-N 1 0 396.329 2.209 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871813965 654264015 /nfs/dbraw/zinc/26/40/15/654264015.db2.gz MVPFASRJMWSDIZ-ZWNOBZJWSA-N 1 0 386.823 2.244 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)ccc1Br ZINC000903587359 654264118 /nfs/dbraw/zinc/26/41/18/654264118.db2.gz TWZFMTRVCBLJLF-CYBMUJFWSA-N 1 0 375.288 2.010 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cccc(Br)c1Cl)C2 ZINC000871814614 654264455 /nfs/dbraw/zinc/26/44/55/654264455.db2.gz DAXGJVCRYJYYFZ-TVQRCGJNSA-N 1 0 379.707 2.333 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000903589067 654264469 /nfs/dbraw/zinc/26/44/69/654264469.db2.gz MVBZWHQYVSHFNF-ISVAXAHUSA-N 1 0 381.242 2.229 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1Br)C2 ZINC000871815521 654264852 /nfs/dbraw/zinc/26/48/52/654264852.db2.gz XTWXNCSCDWZPHH-TVQRCGJNSA-N 1 0 379.707 2.333 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c(Br)c1 ZINC000871816539 654265309 /nfs/dbraw/zinc/26/53/09/654265309.db2.gz GNVMLAUIBRFYDB-ZIAGYGMSSA-N 1 0 375.288 2.021 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1F ZINC000903592033 654265312 /nfs/dbraw/zinc/26/53/12/654265312.db2.gz KLGSPGUTBNYGOJ-AWEZNQCLSA-N 1 0 393.278 2.113 20 0 GEADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cncc(Br)c2)c2ccccc21 ZINC000871820020 654265656 /nfs/dbraw/zinc/26/56/56/654265656.db2.gz SQEVBZPAPYNOPP-LLVKDONJSA-N 1 0 382.283 2.485 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871820490 654265665 /nfs/dbraw/zinc/26/56/65/654265665.db2.gz PNSYMJHIGFQFCD-KBPBESRZSA-N 1 0 377.279 2.292 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)ccc1Br ZINC000871820330 654265699 /nfs/dbraw/zinc/26/56/99/654265699.db2.gz NKNXDRRIOWPKDJ-HUUCEWRRSA-N 1 0 387.299 2.215 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000871820764 654266026 /nfs/dbraw/zinc/26/60/26/654266026.db2.gz VJLWXRLDNSFZES-ZIAGYGMSSA-N 1 0 375.288 2.021 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c(C)c1Cl ZINC000903593863 654266096 /nfs/dbraw/zinc/26/60/96/654266096.db2.gz XZVGZPRAVZZZNP-AWEZNQCLSA-N 1 0 378.903 2.013 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852894744 654266255 /nfs/dbraw/zinc/26/62/55/654266255.db2.gz YIVBTPICHUTGMF-GHMZBOCLSA-N 1 0 398.248 2.333 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H]([NH3+])C3CCC3)C[C@H]1C2(Br)Br ZINC000852901156 654266294 /nfs/dbraw/zinc/26/62/94/654266294.db2.gz AZKFAJMRNJTEQJ-SCVCMEIPSA-N 1 0 380.124 2.468 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)c1cnn(-c2ccccc2)c1I ZINC000852898607 654266299 /nfs/dbraw/zinc/26/62/99/654266299.db2.gz MDYXXOWPJLVYOB-UHFFFAOYSA-N 1 0 398.248 2.286 20 0 GEADRO C[C@]12CCN(C(=O)[C@@]3(F)CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852901734 654266728 /nfs/dbraw/zinc/26/67/28/654266728.db2.gz PQSDRQCCQHEWMG-DVVUODLYSA-N 1 0 384.087 2.043 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000852905806 654267074 /nfs/dbraw/zinc/26/70/74/654267074.db2.gz CZXFGEGMZRNPOZ-ZIAGYGMSSA-N 1 0 377.286 2.367 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(Br)o1)c1cccnc1 ZINC000921480224 654272409 /nfs/dbraw/zinc/27/24/09/654272409.db2.gz CBWJBTLFBZNSFF-GFCCVEGCSA-N 1 0 388.287 2.408 20 0 GEADRO CN(CCC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)S(C)(=O)=O ZINC000921524861 654277993 /nfs/dbraw/zinc/27/79/93/654277993.db2.gz SEDXOBZTQGDDQC-UHFFFAOYSA-N 1 0 392.294 2.441 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)c1ccccn1)Cc1cc(Br)ccc1F ZINC000853110861 654279715 /nfs/dbraw/zinc/27/97/15/654279715.db2.gz KYZIWRTYKWYPOV-SJKOYZFVSA-N 1 0 383.261 2.457 20 0 GEADRO O=C1N(CC[NH2+]C[C@H](O)c2ccc(Br)cc2)C[C@@H]2CCCCN12 ZINC000853118846 654280113 /nfs/dbraw/zinc/28/01/13/654280113.db2.gz RZWKJPOPZLIVFU-HOTGVXAUSA-N 1 0 382.302 2.362 20 0 GEADRO CN(Cc1ccccc1Cl)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903714567 654280563 /nfs/dbraw/zinc/28/05/63/654280563.db2.gz ZPGLEPINCYGNBK-DGCLKSJQSA-N 1 0 377.794 2.037 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719453 654280981 /nfs/dbraw/zinc/28/09/81/654280981.db2.gz ZVNJZVCPLXYFST-YJBOKZPZSA-N 1 0 396.329 2.396 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccsc2)CC[C@@H]1C(F)(F)F ZINC000903720330 654281576 /nfs/dbraw/zinc/28/15/76/654281576.db2.gz ACYRGTISGPCCSR-YNEHKIRRSA-N 1 0 375.416 2.150 20 0 GEADRO O=C(CC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)N1CCOCC1 ZINC000921566480 654281813 /nfs/dbraw/zinc/28/18/13/654281813.db2.gz NOOAJUYPEWFAGA-UHFFFAOYSA-N 1 0 384.249 2.408 20 0 GEADRO CC(C)[C@H](C(=O)OCc1cc(=O)n2cc(Br)ccc2n1)[NH+](C)C ZINC000803498304 654281906 /nfs/dbraw/zinc/28/19/06/654281906.db2.gz RWTREWWXQYZQCA-OAHLLOKOSA-N 1 0 382.258 2.086 20 0 GEADRO [NH3+]C[C@@H]1CN(CCS(=O)(=O)c2nc3ccccc3s2)C[C@@H]1C(F)(F)F ZINC000903780464 654283147 /nfs/dbraw/zinc/28/31/47/654283147.db2.gz HCIIUPYXHWCGES-MNOVXSKESA-N 1 0 393.456 2.139 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCCN2Cc1nnnn1-c1ccccc1Br ZINC000903800243 654283781 /nfs/dbraw/zinc/28/37/81/654283781.db2.gz VQMIFQUPRQWIHK-MLGOLLRUSA-N 1 0 377.290 2.128 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCCN2CC(=O)Nc1ccccc1I ZINC000903796045 654283808 /nfs/dbraw/zinc/28/38/08/654283808.db2.gz RELWOYKMJHXWET-MLGOLLRUSA-N 1 0 399.276 2.433 20 0 GEADRO C[NH+](C)CCCCC(=O)N[C@H](CO)c1ccccc1I ZINC000891323387 654285643 /nfs/dbraw/zinc/28/56/43/654285643.db2.gz BMPYSUBZFNRMJD-CQSZACIVSA-N 1 0 390.265 2.173 20 0 GEADRO CC(C)[C@@H](C(=O)N[C@@H](CO)c1ccccc1I)[NH+](C)C ZINC000891324532 654286548 /nfs/dbraw/zinc/28/65/48/654286548.db2.gz HVBOCOBVTVRZKK-KBPBESRZSA-N 1 0 390.265 2.027 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903859083 654288070 /nfs/dbraw/zinc/28/80/70/654288070.db2.gz ZQSICELERJVYJZ-WBMJQRKESA-N 1 0 399.276 2.351 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000853234370 654288135 /nfs/dbraw/zinc/28/81/35/654288135.db2.gz DQFPMWQJZVKLQL-VDBVYFBLSA-N 1 0 397.488 2.495 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000891393604 654291014 /nfs/dbraw/zinc/29/10/14/654291014.db2.gz AGEZKBYJKWGKCY-DCAQKATOSA-N 1 0 384.274 2.318 20 0 GEADRO C[C@H](NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000891395732 654291019 /nfs/dbraw/zinc/29/10/19/654291019.db2.gz WHLLCAIUEPRILX-DCAQKATOSA-N 1 0 384.274 2.412 20 0 GEADRO Cc1cc(S(=O)(=O)N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(C)s1 ZINC000903903304 654290940 /nfs/dbraw/zinc/29/09/40/654290940.db2.gz HVIYFMJBRSRPSU-ALOPSCKCSA-N 1 0 383.583 2.202 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc(Cl)nc2c(Br)c[nH]c21 ZINC000853293858 654291298 /nfs/dbraw/zinc/29/12/98/654291298.db2.gz VDKAGIFSVZUDRQ-VIFPVBQESA-N 1 0 387.713 2.422 20 0 GEADRO CCN(C(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000891405202 654291447 /nfs/dbraw/zinc/29/14/47/654291447.db2.gz UXTRJSHKIABWLU-CQSZACIVSA-N 1 0 383.290 2.171 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000891424835 654292958 /nfs/dbraw/zinc/29/29/58/654292958.db2.gz BMQUGELVUFYKIF-UMVBOHGHSA-N 1 0 381.318 2.312 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853398770 654294460 /nfs/dbraw/zinc/29/44/60/654294460.db2.gz OYSCXYOUAYQGRR-HOTGVXAUSA-N 1 0 394.313 2.289 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891463596 654295117 /nfs/dbraw/zinc/29/51/17/654295117.db2.gz FEVARXUGTKUFDB-BJHJDKERSA-N 1 0 383.290 2.123 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891482552 654296460 /nfs/dbraw/zinc/29/64/60/654296460.db2.gz MIJNQDLQAHUDAJ-AULYBMBSSA-N 1 0 383.290 2.123 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCc1ccc(I)s1 ZINC000891491599 654297115 /nfs/dbraw/zinc/29/71/15/654297115.db2.gz NYTBOIYAJYQLOK-DTWKUNHWSA-N 1 0 379.267 2.026 20 0 GEADRO CCO[C@H](CNS(=O)(=O)c1cc(C)ccc1Br)C[NH+](C)C ZINC000921640675 654297747 /nfs/dbraw/zinc/29/77/47/654297747.db2.gz GAIVQYFZQKQQKK-GFCCVEGCSA-N 1 0 379.320 2.003 20 0 GEADRO C[C@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000891528507 654298941 /nfs/dbraw/zinc/29/89/41/654298941.db2.gz MYBSLZJNUHCFDA-AWEZNQCLSA-N 1 0 383.334 2.399 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000832836754 654299417 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CC(C)O[C@@]1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCOC1 ZINC000905557949 654366280 /nfs/dbraw/zinc/36/62/80/654366280.db2.gz RNGBPWWZKBISOW-NVXWUHKLSA-N 1 0 388.302 2.363 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000905567484 654366759 /nfs/dbraw/zinc/36/67/59/654366759.db2.gz PCYIYEUBFRMBFJ-NWANDNLSSA-N 1 0 381.416 2.213 20 0 GEADRO CCC[C@H]([NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1)C(=O)N1CCc2sccc2C1 ZINC000892853797 654366830 /nfs/dbraw/zinc/36/68/30/654366830.db2.gz PAVGBOHXPXKUCG-KBMXLJTQSA-N 1 0 384.567 2.214 20 0 GEADRO CC(C)([NH3+])CCNC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000892853694 654366860 /nfs/dbraw/zinc/36/68/60/654366860.db2.gz NMWSPBQJOFIDKF-UHFFFAOYSA-N 1 0 391.335 2.026 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cnn(C2CCC2)c1)c1ccc(Cl)cc1F ZINC000922099802 654367025 /nfs/dbraw/zinc/36/70/25/654367025.db2.gz RNYAYDZUGQFJIX-UHFFFAOYSA-N 1 0 386.880 2.469 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)CS(C)(=O)=O ZINC000905577898 654367080 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C[C@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000892874985 654368599 /nfs/dbraw/zinc/36/85/99/654368599.db2.gz BPFBNZBQDNYQTB-GZBFAFLISA-N 1 0 387.343 2.441 20 0 GEADRO CSc1nc(Cl)c(F)c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)n1 ZINC000872546417 654369236 /nfs/dbraw/zinc/36/92/36/654369236.db2.gz YBAXDSUYKHRQHG-FGWVZKOKSA-N 1 0 387.912 2.487 20 0 GEADRO C[N@H+](CCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)CCOCCO ZINC000922120442 654369941 /nfs/dbraw/zinc/36/99/41/654369941.db2.gz IEKSKFQFWFFVLL-CABCVRRESA-N 1 0 375.296 2.154 20 0 GEADRO Cc1nc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)sc1Br ZINC000922120833 654369974 /nfs/dbraw/zinc/36/99/74/654369974.db2.gz AEZJXHKPVVTDRT-MNOVXSKESA-N 1 0 396.376 2.412 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@H]2CCSC3(CCC3)C2)CCC1 ZINC000905610524 654370070 /nfs/dbraw/zinc/37/00/70/654370070.db2.gz SCHVXVUGQZGEBV-GJZGRUSLSA-N 1 0 390.615 2.396 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000835190457 654370142 /nfs/dbraw/zinc/37/01/42/654370142.db2.gz YJRANMDAKDUQBX-CHWSQXEVSA-N 1 0 395.301 2.034 20 0 GEADRO C[N@H+](CCNC(=O)Cc1coc2c1ccc(Cl)c2Cl)CCOCCO ZINC000922129888 654370710 /nfs/dbraw/zinc/37/07/10/654370710.db2.gz WAJMKXKCBJGBLM-UHFFFAOYSA-N 1 0 389.279 2.339 20 0 GEADRO C[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000892944140 654371577 /nfs/dbraw/zinc/37/15/77/654371577.db2.gz FUDBPQCOTITTMB-QILLFSRXSA-N 1 0 386.945 2.126 20 0 GEADRO CSc1ccc(Br)cc1CC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905654272 654371972 /nfs/dbraw/zinc/37/19/72/654371972.db2.gz WRCIYEQPHDELHL-HNNXBMFYSA-N 1 0 390.343 2.206 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NC[C@H]2CC[N@@H+]2C)c1 ZINC000905651390 654372010 /nfs/dbraw/zinc/37/20/10/654372010.db2.gz NVTGUAHJUCGYOV-CQSZACIVSA-N 1 0 384.571 2.016 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCn2cc(Br)ccc2=O)c(F)c1 ZINC000922151685 654372434 /nfs/dbraw/zinc/37/24/34/654372434.db2.gz QSWFOFBNJUKAAS-UHFFFAOYSA-N 1 0 383.217 2.326 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cc(Cl)nc(C(F)(F)F)c3)C2)CC1 ZINC000854643907 654372592 /nfs/dbraw/zinc/37/25/92/654372592.db2.gz AGAUVQSXJCHIRJ-UHFFFAOYSA-N 1 0 376.810 2.073 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc[nH]c(=O)c2)cc1Br ZINC000922162955 654372627 /nfs/dbraw/zinc/37/26/27/654372627.db2.gz XIABXUKJRLNISK-CQSZACIVSA-N 1 0 381.270 2.499 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)ncc1Br ZINC000854643099 654372773 /nfs/dbraw/zinc/37/27/73/654372773.db2.gz QQWVUHCQJGITGM-STQMWFEESA-N 1 0 388.693 2.433 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000905669180 654373192 /nfs/dbraw/zinc/37/31/92/654373192.db2.gz YLMKLUZVJCTBQJ-BZUAXINKSA-N 1 0 385.551 2.422 20 0 GEADRO Cc1nc([C@H]2CC[N@H+](Cn3nc(Br)c(=O)c4ccccc43)C2)no1 ZINC000905680831 654373500 /nfs/dbraw/zinc/37/35/00/654373500.db2.gz BDEAZUUQXZWNEG-NSHDSACASA-N 1 0 390.241 2.297 20 0 GEADRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)CS[C@H]1CCS(=O)(=O)C1)CC2 ZINC000854676444 654374416 /nfs/dbraw/zinc/37/44/16/654374416.db2.gz MOFKYEHTMLROIJ-INIZCTEOSA-N 1 0 388.599 2.020 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)CCS2 ZINC000905697097 654375444 /nfs/dbraw/zinc/37/54/44/654375444.db2.gz QVFGGDUBJUVAMC-SWKXRBFHSA-N 1 0 383.535 2.267 20 0 GEADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1nc2ncc(Br)cn2n1 ZINC000893021839 654376240 /nfs/dbraw/zinc/37/62/40/654376240.db2.gz CAEJEUFAJHCPQX-YPMHNXCESA-N 1 0 395.305 2.222 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCCO[C@H]1CCCCO1 ZINC000922232659 654377509 /nfs/dbraw/zinc/37/75/09/654377509.db2.gz WFACDDDTKCBWNR-ZDUSSCGKSA-N 1 0 379.242 2.048 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835291732 654378341 /nfs/dbraw/zinc/37/83/41/654378341.db2.gz PZOLIQFINGDNLE-UHFFFAOYSA-N 1 0 385.306 2.281 20 0 GEADRO Cn1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(I)n1 ZINC000905744500 654378417 /nfs/dbraw/zinc/37/84/17/654378417.db2.gz IADJJOWDAFZCRF-UHFFFAOYSA-N 1 0 390.269 2.064 20 0 GEADRO C[NH+]1CCN(c2ccccc2NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000905750943 654378826 /nfs/dbraw/zinc/37/88/26/654378826.db2.gz PAKKOWCDBHFVTJ-CYBMUJFWSA-N 1 0 380.703 2.498 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000872610898 654380929 /nfs/dbraw/zinc/38/09/29/654380929.db2.gz CAAPVRYTFXSAGR-DOMZBBRYSA-N 1 0 380.432 2.479 20 0 GEADRO CC(C)[NH2+]Cc1cn(C[C@@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000905814560 654381274 /nfs/dbraw/zinc/38/12/74/654381274.db2.gz HQJMBYTUBYXBMI-CQSZACIVSA-N 1 0 387.253 2.118 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C[C@H]1C(F)(F)F ZINC000893101022 654382222 /nfs/dbraw/zinc/38/22/22/654382222.db2.gz FCJMMJKRSHAIFV-JHJVBQTASA-N 1 0 385.448 2.311 20 0 GEADRO Cn1nc2c(c1C[NH2+][C@H]1COc3cccc(Br)c3C1)COCC2 ZINC000922317566 654383162 /nfs/dbraw/zinc/38/31/62/654383162.db2.gz HKJOHKGTBKGUJK-LLVKDONJSA-N 1 0 378.270 2.349 20 0 GEADRO CCOC(=O)c1nn(CN(CCOC)CC2CC[NH+](C)CC2)c(=S)s1 ZINC000872633537 654383889 /nfs/dbraw/zinc/38/38/89/654383889.db2.gz KPMFGXAIASZFKN-UHFFFAOYSA-N 1 0 388.559 2.098 20 0 GEADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(Br)c[nH]2)cc1OC ZINC000922327464 654384063 /nfs/dbraw/zinc/38/40/63/654384063.db2.gz CLWHZYSXAVGQTN-MRXNPFEDSA-N 1 0 384.274 2.273 20 0 GEADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000893138887 654385074 /nfs/dbraw/zinc/38/50/74/654385074.db2.gz KYTMHJIRASTMES-CFVMTHIKSA-N 1 0 379.444 2.269 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1Cl ZINC000872663257 654387234 /nfs/dbraw/zinc/38/72/34/654387234.db2.gz CIUMSTVEROHEBQ-LSDHHAIUSA-N 1 0 387.889 2.376 20 0 GEADRO COc1cccc(-c2csc(C[NH2+]C[C@@H]3CCN(S(C)(=O)=O)C3)n2)c1 ZINC000893224037 654390201 /nfs/dbraw/zinc/39/02/01/654390201.db2.gz VSCXIYWNTASBOK-ZDUSSCGKSA-N 1 0 381.523 2.190 20 0 GEADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc2c(cncc2Cl)s1 ZINC000893226065 654390361 /nfs/dbraw/zinc/39/03/61/654390361.db2.gz MDKJNGJQDKMBQF-KRWDZBQOSA-N 1 0 383.901 2.369 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000855166820 654398981 /nfs/dbraw/zinc/39/89/81/654398981.db2.gz QJBWGCPNXAVTPD-GFCCVEGCSA-N 1 0 387.933 2.193 20 0 GEADRO O=C1NC(=O)C2(CC[NH+](Cc3c(Br)ccc(Cl)c3F)CC2)N1 ZINC000893418755 654400504 /nfs/dbraw/zinc/40/05/04/654400504.db2.gz KTZBXNLLIIBHFE-UHFFFAOYSA-N 1 0 390.640 2.416 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000922555534 654401173 /nfs/dbraw/zinc/40/11/73/654401173.db2.gz TULRKLNYHZLTMY-XUJVJEKNSA-N 1 0 384.318 2.145 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000922555532 654401335 /nfs/dbraw/zinc/40/13/35/654401335.db2.gz TULRKLNYHZLTMY-TYNCELHUSA-N 1 0 384.318 2.145 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000922606785 654403084 /nfs/dbraw/zinc/40/30/84/654403084.db2.gz APZQOSIWXYNLHB-MRXNPFEDSA-N 1 0 397.317 2.413 20 0 GEADRO C[NH+](C)C1(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CC1 ZINC000855324437 654411710 /nfs/dbraw/zinc/41/17/10/654411710.db2.gz VEKOANQMKXHCEV-KOLCDFICSA-N 1 0 380.124 2.435 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731885 654410746 /nfs/dbraw/zinc/41/07/46/654410746.db2.gz IBARRVNHMOXPPH-JBLDHEPKSA-N 1 0 385.839 2.493 20 0 GEADRO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1cccc(F)c1I ZINC000873045167 654411943 /nfs/dbraw/zinc/41/19/43/654411943.db2.gz CHLITIMFJBTKSZ-GFCCVEGCSA-N 1 0 391.272 2.156 20 0 GEADRO Fc1cccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1I ZINC000873044872 654412006 /nfs/dbraw/zinc/41/20/06/654412006.db2.gz XQMSSORSGFZAJA-OLZOCXBDSA-N 1 0 390.240 2.383 20 0 GEADRO CCSc1cccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873105051 654415254 /nfs/dbraw/zinc/41/52/54/654415254.db2.gz SFCLCKRETVZIOP-GXFFZTMASA-N 1 0 375.416 2.333 20 0 GEADRO CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000922822942 654415328 /nfs/dbraw/zinc/41/53/28/654415328.db2.gz KUZYOGVZAJZULF-ZDUSSCGKSA-N 1 0 396.372 2.445 20 0 GEADRO CSc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1C ZINC000873105667 654415395 /nfs/dbraw/zinc/41/53/95/654415395.db2.gz AKVJDNSBSWYXRP-GHMZBOCLSA-N 1 0 375.416 2.251 20 0 GEADRO CCc1ccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000873108649 654416080 /nfs/dbraw/zinc/41/60/80/654416080.db2.gz ZNMGCUTXUHEAKC-JQWIXIFHSA-N 1 0 377.794 2.437 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000873110179 654416320 /nfs/dbraw/zinc/41/63/20/654416320.db2.gz MDRSQTVBZVSIQA-UHFFFAOYSA-N 1 0 391.697 2.414 20 0 GEADRO Cn1c2ccccc2c(Br)c1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000873132182 654417483 /nfs/dbraw/zinc/41/74/83/654417483.db2.gz KQLWXAPLWOBCEG-LLVKDONJSA-N 1 0 375.274 2.422 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]CC2(c3ccc(Br)cc3)CC2)nn1 ZINC000873153714 654418822 /nfs/dbraw/zinc/41/88/22/654418822.db2.gz DZYTXRRYQJFZTJ-UHFFFAOYSA-N 1 0 379.258 2.035 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1nscc1I ZINC000906199227 654420706 /nfs/dbraw/zinc/42/07/06/654420706.db2.gz LWTRVCHUUGRQDM-ZJUUUORDSA-N 1 0 377.251 2.104 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2cccc3c2OCCO3)cc1Cl ZINC000922945393 654421338 /nfs/dbraw/zinc/42/13/38/654421338.db2.gz PRVBASJUKSGVHP-UHFFFAOYSA-N 1 0 382.869 2.091 20 0 GEADRO COC[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000922948505 654421600 /nfs/dbraw/zinc/42/16/00/654421600.db2.gz ZNNZIKIEKFGSEU-GFCCVEGCSA-N 1 0 379.320 2.105 20 0 GEADRO COC[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000922948506 654421636 /nfs/dbraw/zinc/42/16/36/654421636.db2.gz ZNNZIKIEKFGSEU-LBPRGKRZSA-N 1 0 379.320 2.105 20 0 GEADRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000873196103 654422248 /nfs/dbraw/zinc/42/22/48/654422248.db2.gz QVDDEFYELDDUBT-PIGZYNQJSA-N 1 0 385.507 2.381 20 0 GEADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Br)nn2C)cc1OC ZINC000873194500 654422395 /nfs/dbraw/zinc/42/23/95/654422395.db2.gz ZNXQCMSYQCMVHW-QGZVFWFLSA-N 1 0 398.301 2.283 20 0 GEADRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccnn2C)cc(Br)c1OC ZINC000922977104 654422680 /nfs/dbraw/zinc/42/26/80/654422680.db2.gz VFXKYEBDSXIHCN-CQSZACIVSA-N 1 0 384.274 2.413 20 0 GEADRO Cn1nccc1[C@@H](O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000922974375 654422888 /nfs/dbraw/zinc/42/28/88/654422888.db2.gz NVBNGKLIRBFIEC-SFHVURJKSA-N 1 0 393.329 2.470 20 0 GEADRO C[NH+](C)C1(CNC(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000922981757 654423022 /nfs/dbraw/zinc/42/30/22/654423022.db2.gz JIOYVGZFUKLXPY-MRXNPFEDSA-N 1 0 384.318 2.136 20 0 GEADRO Cn1nnc2c1C[C@H]([NH2+]Cc1cn(-c3ccc(Cl)cc3Cl)nn1)CC2 ZINC000922994038 654423664 /nfs/dbraw/zinc/42/36/64/654423664.db2.gz ORKDCXGHUNBPQA-LLVKDONJSA-N 1 0 378.267 2.350 20 0 GEADRO Cc1nc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1Br ZINC000873320084 654424501 /nfs/dbraw/zinc/42/45/01/654424501.db2.gz RNFOCVXMFDQXKZ-LBPRGKRZSA-N 1 0 383.290 2.433 20 0 GEADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000906284839 654425097 /nfs/dbraw/zinc/42/50/97/654425097.db2.gz BUGXKLHSHGIDNM-CYBMUJFWSA-N 1 0 380.703 2.283 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000873332155 654425258 /nfs/dbraw/zinc/42/52/58/654425258.db2.gz GUNICVMCRPDPBZ-LMLFDSFASA-N 1 0 377.329 2.265 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000906292636 654425571 /nfs/dbraw/zinc/42/55/71/654425571.db2.gz HNPZZKHUHRUXFG-UHFFFAOYSA-N 1 0 377.539 2.262 20 0 GEADRO C[C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)C[NH+]1CCCC1 ZINC000906317753 654427428 /nfs/dbraw/zinc/42/74/28/654427428.db2.gz DDMDYWNIJOPZKR-LBPRGKRZSA-N 1 0 382.302 2.407 20 0 GEADRO Cn1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c(I)n1 ZINC000906339767 654428412 /nfs/dbraw/zinc/42/84/12/654428412.db2.gz FSTAIXKYPLAVIO-UHFFFAOYSA-N 1 0 390.269 2.017 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000855638997 654430792 /nfs/dbraw/zinc/43/07/92/654430792.db2.gz AQTZDPXYCHBGBN-UHFFFAOYSA-N 1 0 387.933 2.050 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000923223409 654434990 /nfs/dbraw/zinc/43/49/90/654434990.db2.gz FECHXHUVIPRBBX-GFCCVEGCSA-N 1 0 380.246 2.002 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](OC)c2ccc(Br)s2)CC1 ZINC000906411429 654435740 /nfs/dbraw/zinc/43/57/40/654435740.db2.gz RAIUWLCMSSHSOP-AWEZNQCLSA-N 1 0 391.331 2.379 20 0 GEADRO C[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCCS1(=O)=O ZINC000906455880 654439469 /nfs/dbraw/zinc/43/94/69/654439469.db2.gz BTROONFSTPPUAT-SFHVURJKSA-N 1 0 382.551 2.184 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000906459700 654439994 /nfs/dbraw/zinc/43/99/94/654439994.db2.gz NXNAOLHYJXMIJK-KGLIPLIRSA-N 1 0 380.901 2.239 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000906459703 654440420 /nfs/dbraw/zinc/44/04/20/654440420.db2.gz NXNAOLHYJXMIJK-ZIAGYGMSSA-N 1 0 380.901 2.239 20 0 GEADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000906459908 654440507 /nfs/dbraw/zinc/44/05/07/654440507.db2.gz QPCIBOLTKFYTHT-CYBMUJFWSA-N 1 0 387.735 2.069 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)cc1Cl ZINC000894032205 654441033 /nfs/dbraw/zinc/44/10/33/654441033.db2.gz VQBBLBARPYSDBY-KGLIPLIRSA-N 1 0 377.865 2.467 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000923314103 654443282 /nfs/dbraw/zinc/44/32/82/654443282.db2.gz DIHDYTVVYBWXBJ-SQWLQELKSA-N 1 0 393.281 2.226 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(Cc2nc(Br)nn2C)CC1 ZINC000894070818 654444173 /nfs/dbraw/zinc/44/41/73/654444173.db2.gz FEJAPFZGGOZESX-UHFFFAOYSA-N 1 0 388.354 2.148 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000873653998 654444775 /nfs/dbraw/zinc/44/47/75/654444775.db2.gz IMLGUJYDSYWNIB-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000894090349 654446105 /nfs/dbraw/zinc/44/61/05/654446105.db2.gz SKQRONQWBWLRFC-GZBFAFLISA-N 1 0 387.343 2.441 20 0 GEADRO COC(=O)c1cc(Br)c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000923358969 654446335 /nfs/dbraw/zinc/44/63/35/654446335.db2.gz NLFUMBIBNANBKG-XHDPSFHLSA-N 1 0 383.286 2.428 20 0 GEADRO CC(C)(C)n1nc(Br)c2c1ncnc2NCC[NH+]1CCC(O)CC1 ZINC000894106589 654447111 /nfs/dbraw/zinc/44/71/11/654447111.db2.gz PRIOKLUIOMVVJZ-UHFFFAOYSA-N 1 0 397.321 2.212 20 0 GEADRO Fc1ccc([C@@H]2CN(C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)cc1Br ZINC000923370902 654447381 /nfs/dbraw/zinc/44/73/81/654447381.db2.gz KSEIKGCSAQSRFR-BBRMVZONSA-N 1 0 385.277 2.340 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000873686115 654448812 /nfs/dbraw/zinc/44/88/12/654448812.db2.gz ZJFGSLHORDVRMJ-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cn(C)nc1I ZINC000894141219 654449622 /nfs/dbraw/zinc/44/96/22/654449622.db2.gz RPAMQQFIYKPLHZ-BXUZGUMPSA-N 1 0 391.253 2.236 20 0 GEADRO O=C(NCc1cnc(Br)cn1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000923399833 654449765 /nfs/dbraw/zinc/44/97/65/654449765.db2.gz HTTCBJRBALESAN-AWEZNQCLSA-N 1 0 382.306 2.445 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000894147421 654450006 /nfs/dbraw/zinc/45/00/06/654450006.db2.gz LHTCFGGOKZMLBS-UHFFFAOYSA-N 1 0 399.232 2.128 20 0 GEADRO O=C(CN1CCC[C@H]([NH2+]CCO)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000923401527 654450212 /nfs/dbraw/zinc/45/02/12/654450212.db2.gz VNJJNEXYAZAZQG-LBPRGKRZSA-N 1 0 379.810 2.344 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000906574144 654450420 /nfs/dbraw/zinc/45/04/20/654450420.db2.gz TZVOUPIFVIRYOX-BXUZGUMPSA-N 1 0 391.331 2.425 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000923415176 654451113 /nfs/dbraw/zinc/45/11/13/654451113.db2.gz QMIIQXVZVOHVCC-UHFFFAOYSA-N 1 0 394.273 2.313 20 0 GEADRO CC(C)[C@@H](CNCc1c(I)cnn1C)[NH+]1CCCC1 ZINC000894169230 654452247 /nfs/dbraw/zinc/45/22/47/654452247.db2.gz YUPGOIYZHZHPIH-CYBMUJFWSA-N 1 0 376.286 2.235 20 0 GEADRO C[C@H](CNCc1c(I)cnn1C)[N@@H+]1CCCC[C@H]1C ZINC000894175780 654452611 /nfs/dbraw/zinc/45/26/11/654452611.db2.gz LONANJAXGHYZIL-VXGBXAGGSA-N 1 0 376.286 2.377 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)CCOCC1 ZINC000873714057 654452713 /nfs/dbraw/zinc/45/27/13/654452713.db2.gz UQVUTOHPZLDFBK-UHFFFAOYSA-N 1 0 392.258 2.298 20 0 GEADRO C[C@@H](CNCc1c(I)cnn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000894176390 654453325 /nfs/dbraw/zinc/45/33/25/654453325.db2.gz KZYCWULZXYWMQD-RYUDHWBXSA-N 1 0 376.286 2.235 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447479 654453645 /nfs/dbraw/zinc/45/36/45/654453645.db2.gz UHRGPOJKROTHNR-BBRMVZONSA-N 1 0 397.313 2.493 20 0 GEADRO O=C(NCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1cccs1 ZINC000894188153 654453608 /nfs/dbraw/zinc/45/36/08/654453608.db2.gz RNJASZQHYMLMMH-UHFFFAOYSA-N 1 0 386.930 2.214 20 0 GEADRO Cn1cc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c(I)n1 ZINC000894199539 654455039 /nfs/dbraw/zinc/45/50/39/654455039.db2.gz LOZRHRTULCYOAH-GFCCVEGCSA-N 1 0 387.269 2.426 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1cn(C)nc1I ZINC000894199701 654455131 /nfs/dbraw/zinc/45/51/31/654455131.db2.gz CUFOIIGOWOADLO-RYUDHWBXSA-N 1 0 376.286 2.235 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1nscc1I ZINC000906643291 654456482 /nfs/dbraw/zinc/45/64/82/654456482.db2.gz DQTFNSUGYDBGGB-VIFPVBQESA-N 1 0 379.267 2.352 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000894211613 654456442 /nfs/dbraw/zinc/45/64/42/654456442.db2.gz QRJYBMXIOKDIAW-NSHDSACASA-N 1 0 388.310 2.314 20 0 GEADRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3nc(Br)nn3C)C2)c1 ZINC000894217130 654456669 /nfs/dbraw/zinc/45/66/69/654456669.db2.gz ZRAZXVGGDXMUSE-LBPRGKRZSA-N 1 0 380.290 2.202 20 0 GEADRO CN(CC[NH2+]C[C@@H]1C[C@@]1(C)Br)S(=O)(=O)c1ccc(F)cc1 ZINC000894222214 654457400 /nfs/dbraw/zinc/45/74/00/654457400.db2.gz RRSINTMSAPTBAN-SMDDNHRTSA-N 1 0 379.295 2.209 20 0 GEADRO Cn1nc(Br)nc1CNCc1ccc(OCCC[NH+](C)C)cc1 ZINC000894224972 654457659 /nfs/dbraw/zinc/45/76/59/654457659.db2.gz ISFJTHNMYMEQIN-UHFFFAOYSA-N 1 0 382.306 2.198 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000873759975 654459491 /nfs/dbraw/zinc/45/94/91/654459491.db2.gz JEHQIKJGPLSFTR-CMPLNLGQSA-N 1 0 396.285 2.138 20 0 GEADRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cn(C)nc1I ZINC000894258406 654459975 /nfs/dbraw/zinc/45/99/75/654459975.db2.gz ASZTWDIUMAJFMQ-FZMZJTMJSA-N 1 0 385.249 2.279 20 0 GEADRO C[C@H]([NH2+][C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000894263223 654460971 /nfs/dbraw/zinc/46/09/71/654460971.db2.gz PAXGXHOXRSQSLX-IGJMFERPSA-N 1 0 378.263 2.435 20 0 GEADRO Cn1cc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)c(I)n1 ZINC000923526685 654461900 /nfs/dbraw/zinc/46/19/00/654461900.db2.gz SDOKJXQMZRZCFA-SNVBAGLBSA-N 1 0 377.226 2.056 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000906702277 654462514 /nfs/dbraw/zinc/46/25/14/654462514.db2.gz XDQVWDRKHLWEFB-NSHDSACASA-N 1 0 379.766 2.291 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000906700777 654462528 /nfs/dbraw/zinc/46/25/28/654462528.db2.gz LOTZHJORPBQDJB-CYBMUJFWSA-N 1 0 391.269 2.050 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c(F)cc1Br ZINC000906716865 654463832 /nfs/dbraw/zinc/46/38/32/654463832.db2.gz KUKDCYWCODWLJZ-UHFFFAOYSA-N 1 0 398.276 2.484 20 0 GEADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906727048 654464667 /nfs/dbraw/zinc/46/46/67/654464667.db2.gz KRVUAKZQQDSDFC-SUZMYJTESA-N 1 0 376.869 2.411 20 0 GEADRO O=C(Nc1cc(Cl)c(Br)cc1F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906731024 654465182 /nfs/dbraw/zinc/46/51/82/654465182.db2.gz DCPNGJPDRAMACQ-MDSUWVFBSA-N 1 0 390.640 2.189 20 0 GEADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000906739647 654466423 /nfs/dbraw/zinc/46/64/23/654466423.db2.gz OEGJCKJZRGHOSE-VIFPVBQESA-N 1 0 390.228 2.314 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000906744090 654467332 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Cn1ncc(Br)c1CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000923610089 654471489 /nfs/dbraw/zinc/47/14/89/654471489.db2.gz LIZBYNYPXOFAMV-AWEZNQCLSA-N 1 0 395.305 2.070 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)c2nscc2I)CC[N@@H+]1C ZINC000906794282 654472797 /nfs/dbraw/zinc/47/27/97/654472797.db2.gz UWOXYUCWSYYARQ-IUCAKERBSA-N 1 0 379.267 2.302 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2cnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000906798803 654473261 /nfs/dbraw/zinc/47/32/61/654473261.db2.gz PXPZYQAZYFKTLT-RYUDHWBXSA-N 1 0 378.274 2.242 20 0 GEADRO O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856257074 654473725 /nfs/dbraw/zinc/47/37/25/654473725.db2.gz TUGJNTRGVYIXKL-CYBMUJFWSA-N 1 0 383.279 2.312 20 0 GEADRO C[NH+]1CCC(NS(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000906812460 654474999 /nfs/dbraw/zinc/47/49/99/654474999.db2.gz QJTANDYJQODQCK-INIZCTEOSA-N 1 0 387.343 2.320 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCc3cnc(Cl)s3)C2)[C@H]1C(C)C ZINC000923678764 654475431 /nfs/dbraw/zinc/47/54/31/654475431.db2.gz APQOPTBGAMTKOQ-VMUDFCTBSA-N 1 0 386.949 2.466 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000894435125 654475468 /nfs/dbraw/zinc/47/54/68/654475468.db2.gz KHXLLNXQFAAUJP-CABCVRRESA-N 1 0 385.917 2.122 20 0 GEADRO CCC(CC)[NH2+]CCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000894435507 654475992 /nfs/dbraw/zinc/47/59/92/654475992.db2.gz MFYCNXBBQILIKI-UHFFFAOYSA-N 1 0 375.922 2.321 20 0 GEADRO O=C1O[C@@H](CNS(=O)(=O)c2cc(Cl)sc2Cl)CC12CC[NH2+]CC2 ZINC000923683651 654476225 /nfs/dbraw/zinc/47/62/25/654476225.db2.gz QLBJJAZIADFHLU-MRVPVSSYSA-N 1 0 399.321 2.019 20 0 GEADRO COC(=O)C1(C[NH2+]Cc2cn(C)nc2I)CCCCC1 ZINC000894447181 654476533 /nfs/dbraw/zinc/47/65/33/654476533.db2.gz YMQACUPFWINKRA-UHFFFAOYSA-N 1 0 391.253 2.238 20 0 GEADRO CC[C@H]1CN(CCn2cccn2)CCN1C(=O)NCc1cnc(Cl)s1 ZINC000923691851 654477603 /nfs/dbraw/zinc/47/76/03/654477603.db2.gz WGEMYDPFWNGDPQ-ZDUSSCGKSA-N 1 0 382.921 2.299 20 0 GEADRO 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GEADRO COc1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cnc1Br ZINC000856429610 654480849 /nfs/dbraw/zinc/48/08/49/654480849.db2.gz HMDSJNUYWQGTNL-ZDUSSCGKSA-N 1 0 386.290 2.036 20 0 GEADRO Cn1cc(C[NH2+]CC[C@](C)(O)c2ccccc2)c(I)n1 ZINC000894504107 654481241 /nfs/dbraw/zinc/48/12/41/654481241.db2.gz MNOKIBBORJLMKR-HNNXBMFYSA-N 1 0 385.249 2.412 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000923735991 654481792 /nfs/dbraw/zinc/48/17/92/654481792.db2.gz NUFMIILMMFTZEX-OAHLLOKOSA-N 1 0 389.315 2.364 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cnc1Cl ZINC000923742230 654482152 /nfs/dbraw/zinc/48/21/52/654482152.db2.gz ZPEDCOZERQEXNB-XFHMXUHZSA-N 1 0 381.885 2.081 20 0 GEADRO CC(C)[NH+](CCCNC(=O)c1cn(C)nc1I)C(C)C ZINC000906876917 654482245 /nfs/dbraw/zinc/48/22/45/654482245.db2.gz YNSWMUSFUSSHGM-UHFFFAOYSA-N 1 0 392.285 2.263 20 0 GEADRO O=S(=O)(CCC(F)(F)F)N1C[C@@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000923745917 654482474 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C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)C(C)(C)CO ZINC000926376687 654569760 /nfs/dbraw/zinc/56/97/60/654569760.db2.gz DGVZEAHMBLEIFU-JTQLQIEISA-N 1 0 376.238 2.226 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)n1 ZINC000926415996 654570555 /nfs/dbraw/zinc/57/05/55/654570555.db2.gz XRPVFNCSKUTYBE-NEPJUHHUSA-N 1 0 376.320 2.309 20 0 GEADRO C[C@@H]([NH2+][C@@H]1C(=O)NCC1(C)C)c1ccc(Br)cc1OCCCO ZINC000926468406 654571465 /nfs/dbraw/zinc/57/14/65/654571465.db2.gz ZSYWRFUDCGPTBB-IAQYHMDHSA-N 1 0 385.302 2.386 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H](Cc2cccc(F)c2Cl)c2ccco2)C1 ZINC000926507772 654572785 /nfs/dbraw/zinc/57/27/85/654572785.db2.gz KTWYKMCUDXCPAW-RHSMWYFYSA-N 1 0 387.860 2.495 20 0 GEADRO Cn1cc(I)c(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)n1 ZINC000926539657 654574244 /nfs/dbraw/zinc/57/42/44/654574244.db2.gz HUWDANPRRWAELU-BXUZGUMPSA-N 1 0 375.254 2.320 20 0 GEADRO C[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000926618252 654578143 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C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000907856376 654583777 /nfs/dbraw/zinc/58/37/77/654583777.db2.gz VAVDIERZPLGTJR-UHFFFAOYSA-N 1 0 377.279 2.447 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1cccc(Br)n1 ZINC000926868708 654583956 /nfs/dbraw/zinc/58/39/56/654583956.db2.gz ZCMVCFJUGNCQQV-CVEARBPZSA-N 1 0 397.361 2.291 20 0 GEADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000926860375 654583983 /nfs/dbraw/zinc/58/39/83/654583983.db2.gz GJUPLHUISCBGIY-YVLXSGLVSA-N 1 0 380.286 2.349 20 0 GEADRO CO[C@]1(C[NH2+][C@H]2CCCc3ncc(Br)cc32)CCS(=O)(=O)C1 ZINC000926896487 654584068 /nfs/dbraw/zinc/58/40/68/654584068.db2.gz GJYUFUPENZFTKB-GJZGRUSLSA-N 1 0 389.315 2.015 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000926963254 654585059 /nfs/dbraw/zinc/58/50/59/654585059.db2.gz NMSAMRMWWVNYKH-WFASDCNBSA-N 1 0 381.464 2.484 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000926968095 654585418 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O=C(NCC1(n2cc(Br)cn2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000927101624 654591883 /nfs/dbraw/zinc/59/18/83/654591883.db2.gz FYJZGCQQNVKESE-HNNXBMFYSA-N 1 0 396.333 2.405 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000927102694 654591947 /nfs/dbraw/zinc/59/19/47/654591947.db2.gz LLLJVRMNLOIIMI-AWEZNQCLSA-N 1 0 382.306 2.014 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3(n4cc(Br)cn4)CC3)CC[C@H]21 ZINC000927106161 654592451 /nfs/dbraw/zinc/59/24/51/654592451.db2.gz AUQKSPIDJLJRGE-DZGCQCFKSA-N 1 0 396.333 2.260 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000927108035 654592936 /nfs/dbraw/zinc/59/29/36/654592936.db2.gz JZYQMPLBOQHJRI-UHFFFAOYSA-N 1 0 384.322 2.166 20 0 GEADRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000927166887 654595515 /nfs/dbraw/zinc/59/55/15/654595515.db2.gz YUOOVLSEBVAAOS-CQDKDKBSSA-N 1 0 375.437 2.264 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000908013024 654596218 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Cc1c(NC(=O)C(=O)N(C)CC[NH3+])cc(Br)cc1C(F)(F)F ZINC000927803463 654615158 /nfs/dbraw/zinc/61/51/58/654615158.db2.gz OJHFATBDLFSPDE-UHFFFAOYSA-N 1 0 382.180 2.132 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000927818686 654615768 /nfs/dbraw/zinc/61/57/68/654615768.db2.gz LBNZSTFQYSGFRJ-RKDXNWHRSA-N 1 0 390.228 2.028 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000927824863 654615896 /nfs/dbraw/zinc/61/58/96/654615896.db2.gz VBXNADPHQUNUBL-VXGBXAGGSA-N 1 0 398.301 2.148 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1CC[NH3+] ZINC000927833861 654616157 /nfs/dbraw/zinc/61/61/57/654616157.db2.gz NFVWRNMBFDVKQK-NXEZZACHSA-N 1 0 375.803 2.323 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c(F)cc1Br ZINC000927828307 654616208 /nfs/dbraw/zinc/61/62/08/654616208.db2.gz YERQXMGRYSAXEA-GHMZBOCLSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c(Br)c1 ZINC000927829777 654616243 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FOMFJOMZHLUKFT-GOSISDBHSA-N 1 0 394.313 2.436 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1OC)C(C)C ZINC000927864764 654618369 /nfs/dbraw/zinc/61/83/69/654618369.db2.gz ILNGOCSNXKNWDA-UHFFFAOYSA-N 1 0 386.290 2.161 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000927868609 654618709 /nfs/dbraw/zinc/61/87/09/654618709.db2.gz LGYXTSFIQSEBHW-RHSMWYFYSA-N 1 0 380.286 2.344 20 0 GEADRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000927869646 654618729 /nfs/dbraw/zinc/61/87/29/654618729.db2.gz FUNCNQSPXOSBPO-CXAGYDPISA-N 1 0 376.507 2.459 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000927876354 654619305 /nfs/dbraw/zinc/61/93/05/654619305.db2.gz MIHNKKRCRBBVLF-LBPRGKRZSA-N 1 0 386.279 2.288 20 0 GEADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000927882199 654619415 /nfs/dbraw/zinc/61/94/15/654619415.db2.gz KZUNRYOIZATOPV-QGZVFWFLSA-N 1 0 385.917 2.091 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000927889802 654619996 /nfs/dbraw/zinc/61/99/96/654619996.db2.gz JGRIGZAETXNSDE-NWDGAFQWSA-N 1 0 398.301 2.148 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000927890508 654620241 /nfs/dbraw/zinc/62/02/41/654620241.db2.gz JJEBXKVNNZFRBU-GHMZBOCLSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000927890657 654620258 /nfs/dbraw/zinc/62/02/58/654620258.db2.gz PHHZMBRXSHUOAI-OLZOCXBDSA-N 1 0 382.302 2.448 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c1Br ZINC000927891785 654620428 /nfs/dbraw/zinc/62/04/28/654620428.db2.gz PUMLZACHPGAMDJ-WDEREUQCSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000927892254 654620460 /nfs/dbraw/zinc/62/04/60/654620460.db2.gz WJFXKSKWXOWFAF-QWRGUYRKSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c(F)cc1Br ZINC000927893362 654620653 /nfs/dbraw/zinc/62/06/53/654620653.db2.gz WUTOFBIKPUQPKE-QWRGUYRKSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[C@@H]1C[NH3+] ZINC000927892681 654620756 /nfs/dbraw/zinc/62/07/56/654620756.db2.gz XZOPJMNGVVNVCH-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000927929879 654622233 /nfs/dbraw/zinc/62/22/33/654622233.db2.gz OXSQGWNMGTYJNF-WCQYABFASA-N 1 0 392.297 2.071 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000928013141 654625582 /nfs/dbraw/zinc/62/55/82/654625582.db2.gz VEYJHHXYMBFOCY-KRWDZBQOSA-N 1 0 385.277 2.320 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc(C2N=NC(=S)O2)cc1 ZINC000928086984 654629259 /nfs/dbraw/zinc/62/92/59/654629259.db2.gz ACUZTMAORHNCRH-UONOGXRCSA-N 1 0 376.507 2.335 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@H](O)c1cccc(Br)c1 ZINC000928096793 654630678 /nfs/dbraw/zinc/63/06/78/654630678.db2.gz BRZAMXGGVFKILR-RBSFLKMASA-N 1 0 385.327 2.179 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)nnn1-c1ccccc1Br ZINC000928427755 654647204 /nfs/dbraw/zinc/64/72/04/654647204.db2.gz UDNUAJAUXALPJB-ZWNOBZJWSA-N 1 0 378.274 2.161 20 0 GEADRO C[C@H]1[C@H](NC(=O)c2ccnc(Cl)c2I)CC[N@@H+]1C ZINC000928440719 654647501 /nfs/dbraw/zinc/64/75/01/654647501.db2.gz MRCDTCJKBXPZLX-IONNQARKSA-N 1 0 379.629 2.162 20 0 GEADRO O[C@H](CN1CCN(Cc2ccc(Br)s2)CC1)C[NH+]1CCCC1 ZINC000908978784 654648967 /nfs/dbraw/zinc/64/89/67/654648967.db2.gz OSCOBENCNKKBOG-AWEZNQCLSA-N 1 0 388.375 2.085 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)c1cc[nH]c(=O)c1Br)c1cccnc1 ZINC000928831394 654661988 /nfs/dbraw/zinc/66/19/88/654661988.db2.gz MMZHJILGSTUBRM-CYBMUJFWSA-N 1 0 379.258 2.368 20 0 GEADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CCC[N@H+](C)CC1 ZINC000929219571 654676035 /nfs/dbraw/zinc/67/60/35/654676035.db2.gz XXZAFTCDYYVTNH-LBPRGKRZSA-N 1 0 376.320 2.456 20 0 GEADRO Cn1cc(Br)c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1=O ZINC000929336734 654679973 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COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC000929701007 654690329 /nfs/dbraw/zinc/69/03/29/654690329.db2.gz OXYXAPGKQDWWKA-AWEZNQCLSA-N 1 0 386.945 2.495 20 0 GEADRO O[C@@H](C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C1(O)CCOCC1 ZINC000929835955 654692910 /nfs/dbraw/zinc/69/29/10/654692910.db2.gz DVNBNRLGZTZPSS-BBRMVZONSA-N 1 0 376.280 2.349 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000929885935 654694100 /nfs/dbraw/zinc/69/41/00/654694100.db2.gz KAGIYUWBJRICAO-DZGCQCFKSA-N 1 0 398.301 2.300 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccsc1 ZINC000929998382 654697027 /nfs/dbraw/zinc/69/70/27/654697027.db2.gz BNQUYTSXSHCQEX-STQMWFEESA-N 1 0 377.432 2.268 20 0 GEADRO COCc1c(Br)cccc1NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000930085430 654699074 /nfs/dbraw/zinc/69/90/74/654699074.db2.gz JQPCMOQATBUGOB-UHFFFAOYSA-N 1 0 386.290 2.174 20 0 GEADRO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000930189203 654701472 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CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000930373410 654707748 /nfs/dbraw/zinc/70/77/48/654707748.db2.gz LUFGGCCFAQZMKC-ZDUSSCGKSA-N 1 0 385.306 2.342 20 0 GEADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc(S(N)(=O)=O)oc1Cl ZINC000930496725 654711616 /nfs/dbraw/zinc/71/16/16/654711616.db2.gz RZHCXEBBZCWRHA-UHFFFAOYSA-N 1 0 391.921 2.165 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)C1(O)CCC1)c1ccc(Br)cc1OCCCO ZINC000930531417 654712502 /nfs/dbraw/zinc/71/25/02/654712502.db2.gz JZFFSQOMPVHMJT-BLLLJJGKSA-N 1 0 388.302 2.137 20 0 GEADRO O[C@H](C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1)C[C@@]1(O)CCOC1 ZINC000930611094 654715265 /nfs/dbraw/zinc/71/52/65/654715265.db2.gz IRIWUUVTULQDAL-WFASDCNBSA-N 1 0 380.432 2.244 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)C2 ZINC000911040524 654715945 /nfs/dbraw/zinc/71/59/45/654715945.db2.gz QYEZEVUCAHHXJS-GLQYFDAESA-N 1 0 384.307 2.380 20 0 GEADRO Cn1cc(C2=NC[C@@H](C[NH2+][C@@](C)(CO)c3cc(Cl)cc(Cl)c3)O2)cn1 ZINC000930657278 654716103 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C[C@H]1CN(C(=O)C(=O)NCc2ccccc2SC(F)(F)F)CC[C@@H]1[NH3+] ZINC000911575225 654726893 /nfs/dbraw/zinc/72/68/93/654726893.db2.gz GYBXDBNKGHCEGT-JQWIXIFHSA-N 1 0 375.416 2.110 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000911708333 654730169 /nfs/dbraw/zinc/73/01/69/654730169.db2.gz WEGQEKOPYGZVPW-MRVPVSSYSA-N 1 0 377.080 2.418 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000911753274 654731172 /nfs/dbraw/zinc/73/11/72/654731172.db2.gz LHGHHZVXXNWBSH-NSHDSACASA-N 1 0 378.274 2.229 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(Br)cnc1Br ZINC000911766015 654731514 /nfs/dbraw/zinc/73/15/14/654731514.db2.gz DGPZCPIDJNDLBD-MRVPVSSYSA-N 1 0 377.080 2.336 20 0 GEADRO OC[C@]1([NH2+]C[C@@H]2C[C@@H]3COC[C@H]3O2)CCc2cc(Br)ccc2C1 ZINC000931175047 654731956 /nfs/dbraw/zinc/73/19/56/654731956.db2.gz CVZUYARDZGBBEP-SPUZQDLCSA-N 1 0 382.298 2.062 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000911776136 654731985 /nfs/dbraw/zinc/73/19/85/654731985.db2.gz XCLVNINRPPVGJT-MRVPVSSYSA-N 1 0 377.080 2.288 20 0 GEADRO C[C@@H]1CCCN(C(=O)C[C@@H]2c3cc(Br)ccc3NC2=O)[C@H]1C[NH3+] ZINC000911825288 654733212 /nfs/dbraw/zinc/73/32/12/654733212.db2.gz NTTZPDAHKIQUDV-YVLXSGLVSA-N 1 0 380.286 2.461 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000911822961 654733244 /nfs/dbraw/zinc/73/32/44/654733244.db2.gz KUSDKFMACVFZBX-NWDGAFQWSA-N 1 0 378.274 2.229 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)[C@H](N)c2cc(Br)ccc2OC)CC1 ZINC000911863846 654734589 /nfs/dbraw/zinc/73/45/89/654734589.db2.gz JFHMAXUYWWGKBK-MRXNPFEDSA-N 1 0 384.318 2.306 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000911875328 654734815 /nfs/dbraw/zinc/73/48/15/654734815.db2.gz MEFBCQUDOGFHJO-UHFFFAOYSA-N 1 0 392.244 2.292 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911918602 654735922 /nfs/dbraw/zinc/73/59/22/654735922.db2.gz BVQYSMGGCQYORZ-UHFFFAOYSA-N 1 0 399.232 2.437 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000911945875 654737183 /nfs/dbraw/zinc/73/71/83/654737183.db2.gz KUURCXWWSBMLDG-UHFFFAOYSA-N 1 0 396.285 2.048 20 0 GEADRO O=C(Nc1cccc(I)c1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911942633 654737225 /nfs/dbraw/zinc/73/72/25/654737225.db2.gz FFTZKZGYMYWQHX-UHFFFAOYSA-N 1 0 385.205 2.128 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000911950858 654737422 /nfs/dbraw/zinc/73/74/22/654737422.db2.gz CQOFQLUXZICOGF-JQEORGNBSA-N 1 0 396.818 2.320 20 0 GEADRO Cc1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nc1Br ZINC000931323239 654738405 /nfs/dbraw/zinc/73/84/05/654738405.db2.gz GVDNSGNJVKFLOI-QWHCGFSZSA-N 1 0 383.290 2.215 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)cn1 ZINC000931345792 654738866 /nfs/dbraw/zinc/73/88/66/654738866.db2.gz WWHNJEJABGHYEA-INIZCTEOSA-N 1 0 399.264 2.193 20 0 GEADRO Cc1ccc(NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)cc1I ZINC000911992761 654738987 /nfs/dbraw/zinc/73/89/87/654738987.db2.gz VQJKKUUBMNLFMA-HNNXBMFYSA-N 1 0 399.232 2.437 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000912014727 654739947 /nfs/dbraw/zinc/73/99/47/654739947.db2.gz NFNSHZDHZLIMNU-CHWSQXEVSA-N 1 0 385.917 2.309 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1=CCC[NH2+]CC1 ZINC000912040702 654740559 /nfs/dbraw/zinc/74/05/59/654740559.db2.gz QNSFAUXHXXXRGQ-UHFFFAOYSA-N 1 0 380.286 2.464 20 0 GEADRO CCO[C@H](CNC(=O)Nc1ccc2nccnc2c1Br)C[NH+](C)C ZINC000931389443 654740621 /nfs/dbraw/zinc/74/06/21/654740621.db2.gz DOOBPALPQJSFEX-LLVKDONJSA-N 1 0 396.289 2.481 20 0 GEADRO CNC(=O)c1cccc(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1Br ZINC000931406488 654741358 /nfs/dbraw/zinc/74/13/58/654741358.db2.gz QGMHSAOERLNIIX-LLVKDONJSA-N 1 0 383.290 2.272 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1Br ZINC000931407336 654741591 /nfs/dbraw/zinc/74/15/91/654741591.db2.gz WDEFOFHUAPLAPO-NSHDSACASA-N 1 0 383.290 2.367 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)NCCSc2ccccc2)c1=O ZINC000912099353 654742849 /nfs/dbraw/zinc/74/28/49/654742849.db2.gz ZSVCSTGCXKAINX-UHFFFAOYSA-N 1 0 396.310 2.092 20 0 GEADRO C[NH+](C)CC1(O)CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000931487874 654743839 /nfs/dbraw/zinc/74/38/39/654743839.db2.gz JSRATQNKEPHEFF-UHFFFAOYSA-N 1 0 395.352 2.156 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)NCC2(c3ccccc3)CC2)c1=O ZINC000912174082 654745095 /nfs/dbraw/zinc/74/50/95/654745095.db2.gz SBFGQVXSOQEWLP-UHFFFAOYSA-N 1 0 390.281 2.031 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC000912232696 654747016 /nfs/dbraw/zinc/74/70/16/654747016.db2.gz DOWBBYFWWXOXLH-PMPSAXMXSA-N 1 0 382.291 2.133 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)Nc1cccc(-c2cccs2)c1 ZINC000912273298 654748508 /nfs/dbraw/zinc/74/85/08/654748508.db2.gz DLSONECDDCCLNQ-UNEWFSDZSA-N 1 0 376.503 2.376 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC000912289108 654748899 /nfs/dbraw/zinc/74/88/99/654748899.db2.gz KAJMLSKFELDAEY-INWMFGNUSA-N 1 0 382.291 2.133 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000931647311 654750743 /nfs/dbraw/zinc/75/07/43/654750743.db2.gz CTMSTEUMLZWLTB-NSHDSACASA-N 1 0 381.278 2.345 20 0 GEADRO C[C@@](O)(C[NH2+][C@@H]1C(=O)NCC1(C)C)c1ccc(Br)cc1Cl ZINC000931658263 654751468 /nfs/dbraw/zinc/75/14/68/654751468.db2.gz YSIDSUDALUBTME-IUODEOHRSA-N 1 0 375.694 2.424 20 0 GEADRO C[C@@]1(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[NH+]2CCC1CC2 ZINC000912373369 654751376 /nfs/dbraw/zinc/75/13/76/654751376.db2.gz BVYBZKDIPJJRIM-MRXNPFEDSA-N 1 0 379.258 2.245 20 0 GEADRO C[C@H]1[C@@H](NC(=O)Nc2cc(N3CCOCC3)ccc2Br)CC[N@@H+]1C ZINC000931662499 654752006 /nfs/dbraw/zinc/75/20/06/654752006.db2.gz ZHHRIWKKJAIKPR-WFASDCNBSA-N 1 0 397.317 2.500 20 0 GEADRO CC(C)N(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC000912413025 654753273 /nfs/dbraw/zinc/75/32/73/654753273.db2.gz KKOJWGQUZDQFRN-OIISXLGYSA-N 1 0 384.929 2.100 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N1CCOc2ccc(Br)cc21 ZINC000912433097 654753941 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C[NH+](C)[C@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)C(F)F)C12CCC2 ZINC000912601514 654760723 /nfs/dbraw/zinc/76/07/23/654760723.db2.gz VLZXZRUORMONEJ-MNOVXSKESA-N 1 0 378.466 2.347 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000931897451 654761100 /nfs/dbraw/zinc/76/11/00/654761100.db2.gz OKGXIZYYQLPTFE-CYBMUJFWSA-N 1 0 380.286 2.429 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(C(C)C)ncc1Br ZINC000931988465 654763335 /nfs/dbraw/zinc/76/33/35/654763335.db2.gz KEWGMHRUSCBPLH-GFCCVEGCSA-N 1 0 385.306 2.203 20 0 GEADRO COC(=O)c1cnc(Cl)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000932031458 654764447 /nfs/dbraw/zinc/76/44/47/654764447.db2.gz FDWUNLAOLUXNJR-YPMHNXCESA-N 1 0 384.889 2.223 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cccn3ncc(Br)c23)CCO1 ZINC000912732451 654765861 /nfs/dbraw/zinc/76/58/61/654765861.db2.gz CIKHWZTYHPYQNW-ZDUSSCGKSA-N 1 0 395.301 2.280 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000912803206 654768872 /nfs/dbraw/zinc/76/88/72/654768872.db2.gz MHTOWYQKVVVYLW-QWHCGFSZSA-N 1 0 399.333 2.368 20 0 GEADRO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000912822941 654769384 /nfs/dbraw/zinc/76/93/84/654769384.db2.gz FBICAJUQKIFVBC-JSGCOSHPSA-N 1 0 377.229 2.112 20 0 GEADRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912882956 654772505 /nfs/dbraw/zinc/77/25/05/654772505.db2.gz NGUYMMJSEXVDFB-UHFFFAOYSA-N 1 0 376.400 2.290 20 0 GEADRO NC(=O)[C@](O)(C[N@@H+]1CCC[C@@H]1c1cncc(Br)c1)c1ccccc1 ZINC000932253757 654772803 /nfs/dbraw/zinc/77/28/03/654772803.db2.gz QVJAVEVUXYLJDU-AEFFLSMTSA-N 1 0 390.281 2.354 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000932297901 654774255 /nfs/dbraw/zinc/77/42/55/654774255.db2.gz FJDSQAJNPISSHW-GXTWGEPZSA-N 1 0 392.297 2.475 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000932310762 654774845 /nfs/dbraw/zinc/77/48/45/654774845.db2.gz JSAXUMZCFLRLME-YPMHNXCESA-N 1 0 380.286 2.333 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000932353741 654776125 /nfs/dbraw/zinc/77/61/25/654776125.db2.gz OCFINGGEORFOOA-CQSZACIVSA-N 1 0 380.286 2.429 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000932442006 654777870 /nfs/dbraw/zinc/77/78/70/654777870.db2.gz AKHNQEGZAGGWRI-UHFFFAOYSA-N 1 0 395.345 2.252 20 0 GEADRO CN(C(=O)c1ncc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000932509159 654779733 /nfs/dbraw/zinc/77/97/33/654779733.db2.gz YPPMVLQLYOHPNB-UHFFFAOYSA-N 1 0 379.258 2.456 20 0 GEADRO CN(C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000932538287 654780681 /nfs/dbraw/zinc/78/06/81/654780681.db2.gz HAUPUOLFRNZDPK-GDBMZVCRSA-N 1 0 392.297 2.428 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000913152122 654785390 /nfs/dbraw/zinc/78/53/90/654785390.db2.gz KJRHUKXUHMITTF-INIZCTEOSA-N 1 0 397.313 2.196 20 0 GEADRO CCOc1ccc([C@]2(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2(Cl)Cl)cc1 ZINC000913172663 654786072 /nfs/dbraw/zinc/78/60/72/654786072.db2.gz ZYBGKOZVVABLAU-PBHICJAKSA-N 1 0 387.307 2.084 20 0 GEADRO C[C@H](CNC(=O)c1cc(F)cc(Br)c1F)C[NH+]1CCN(C)CC1 ZINC000932714977 654786328 /nfs/dbraw/zinc/78/63/28/654786328.db2.gz XVTVBMZGWUIMIS-LLVKDONJSA-N 1 0 390.272 2.341 20 0 GEADRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cnc1Br ZINC000932713647 654786365 /nfs/dbraw/zinc/78/63/65/654786365.db2.gz QGZBGBSTWVCEOF-UHFFFAOYSA-N 1 0 383.334 2.251 20 0 GEADRO CN1C(=O)C[C@@H](C(=O)NC23CC[NH+](CC2)C3)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000913633469 654802324 /nfs/dbraw/zinc/80/23/24/654802324.db2.gz FWJIZBFANRGWRF-WBMJQRKESA-N 1 0 382.291 2.477 20 0 GEADRO CC1(CCCC[N@@H+]2CCn3ncc(I)c3C2)OCCO1 ZINC000933111496 654802301 /nfs/dbraw/zinc/80/23/01/654802301.db2.gz HOFQIVVZCHHWGR-UHFFFAOYSA-N 1 0 391.253 2.237 20 0 GEADRO CCOC(=O)CCCC[N@@H+]1CCn2ncc(I)c2C1 ZINC000933115168 654802525 /nfs/dbraw/zinc/80/25/25/654802525.db2.gz RDYYLVXEVZCRQY-UHFFFAOYSA-N 1 0 377.226 2.037 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000913677332 654803758 /nfs/dbraw/zinc/80/37/58/654803758.db2.gz KZXJDXFRHOPIDN-INIZCTEOSA-N 1 0 381.314 2.394 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000913678994 654804006 /nfs/dbraw/zinc/80/40/06/654804006.db2.gz HQZMHTIZHAMKNW-UHFFFAOYSA-N 1 0 377.229 2.256 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)[C@H](C)C1 ZINC000933174517 654803987 /nfs/dbraw/zinc/80/39/87/654803987.db2.gz CPQNWOGDELQYEZ-UMVBOHGHSA-N 1 0 386.286 2.462 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000913683482 654804182 /nfs/dbraw/zinc/80/41/82/654804182.db2.gz FQLCOSFDBMNVBD-UHFFFAOYSA-N 1 0 377.229 2.256 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000913681794 654804230 /nfs/dbraw/zinc/80/42/30/654804230.db2.gz ZLKMVIICDBCPEH-UHFFFAOYSA-N 1 0 381.314 2.396 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)no1 ZINC000933436679 654812939 /nfs/dbraw/zinc/81/29/39/654812939.db2.gz FRSZWWZQAARTQO-MRXNPFEDSA-N 1 0 382.258 2.267 20 0 GEADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]CC(=O)NCC(=O)c1cccs1 ZINC000933440845 654813582 /nfs/dbraw/zinc/81/35/82/654813582.db2.gz BEBFBFLTSXNNTF-SFHVURJKSA-N 1 0 380.897 2.284 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1cnc(Br)cn1)c1cccc(F)c1 ZINC000913889586 654814127 /nfs/dbraw/zinc/81/41/27/654814127.db2.gz AZORMZBNLLRTJQ-CQSZACIVSA-N 1 0 396.264 2.480 20 0 GEADRO CN(C(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[C@H]1CCC[N@H+](C)C1 ZINC000933486340 654814951 /nfs/dbraw/zinc/81/49/51/654814951.db2.gz OOMAZUYRCWKRDR-WCQYABFASA-N 1 0 380.286 2.428 20 0 GEADRO O=C1NCCN1CC1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000933576210 654817409 /nfs/dbraw/zinc/81/74/09/654817409.db2.gz JZABTUKRMYYAPG-INIZCTEOSA-N 1 0 382.302 2.220 20 0 GEADRO C[N@@H+]1C[C@@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@]2(C)C1 ZINC000933732614 654821948 /nfs/dbraw/zinc/82/19/48/654821948.db2.gz UYFXSDOONRQZFZ-QBIMZIAESA-N 1 0 378.314 2.438 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1F ZINC000914090683 654825793 /nfs/dbraw/zinc/82/57/93/654825793.db2.gz PGTKMGBLTYGPOS-JTQLQIEISA-N 1 0 395.294 2.312 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCCSC[C@@H]2C2CC2)CCC1 ZINC000933911154 654829598 /nfs/dbraw/zinc/82/95/98/654829598.db2.gz AQUGRMPLJLQMHO-CVEARBPZSA-N 1 0 390.615 2.205 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cscc2C(F)F)CC1 ZINC000914187939 654833739 /nfs/dbraw/zinc/83/37/39/654833739.db2.gz TVPWCXFUKKENLS-LBPRGKRZSA-N 1 0 381.514 2.238 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@H](CCO)C2CCCC2)c1 ZINC000934008452 654834206 /nfs/dbraw/zinc/83/42/06/654834206.db2.gz KQOTZYNCVLCZNY-HNNXBMFYSA-N 1 0 388.917 2.213 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1nc2ccc3scnc3c2s1 ZINC000934023677 654834444 /nfs/dbraw/zinc/83/44/44/654834444.db2.gz UIUSMWCPWQFOMI-JTQLQIEISA-N 1 0 376.511 2.273 20 0 GEADRO O=C(c1cnn2cccc(Br)c12)N1CC[NH+](C2CCOCC2)CC1 ZINC000934043790 654834928 /nfs/dbraw/zinc/83/49/28/654834928.db2.gz ODTQSYJAVWTCCO-UHFFFAOYSA-N 1 0 393.285 2.034 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000914219731 654836023 /nfs/dbraw/zinc/83/60/23/654836023.db2.gz AQTGQNXWCQQOCW-KGLIPLIRSA-N 1 0 382.306 2.061 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000934260842 654840756 /nfs/dbraw/zinc/84/07/56/654840756.db2.gz OGWAWGXHWCTEDK-IAGOWNOFSA-N 1 0 396.329 2.227 20 0 GEADRO Cc1cc(NC(=O)CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000934263470 654841274 /nfs/dbraw/zinc/84/12/74/654841274.db2.gz POAYSIXCCASXPZ-IRXDYDNUSA-N 1 0 396.329 2.227 20 0 GEADRO COC(=O)c1ccc(Br)c(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000934271445 654842412 /nfs/dbraw/zinc/84/24/12/654842412.db2.gz FWWFVAMRNULEFR-IRXDYDNUSA-N 1 0 397.313 2.267 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000914298750 654842956 /nfs/dbraw/zinc/84/29/56/654842956.db2.gz GCOJSTURTMXEDM-CZUORRHYSA-N 1 0 381.318 2.279 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCC(C)(C)CS(C)(=O)=O)C1 ZINC000914331359 654845889 /nfs/dbraw/zinc/84/58/89/654845889.db2.gz OAZXZUFYGHSFMM-HUUCEWRRSA-N 1 0 375.579 2.113 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCC(C)(C)CS(C)(=O)=O)C1 ZINC000914331357 654845937 /nfs/dbraw/zinc/84/59/37/654845937.db2.gz OAZXZUFYGHSFMM-GASCZTMLSA-N 1 0 375.579 2.113 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000914364088 654848522 /nfs/dbraw/zinc/84/85/22/654848522.db2.gz OTSOIMZKUVKFAO-XJKSGUPXSA-N 1 0 381.318 2.279 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2occc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000914390629 654850469 /nfs/dbraw/zinc/85/04/69/654850469.db2.gz IUPDTQLAZFHEOK-NWDGAFQWSA-N 1 0 395.344 2.242 20 0 GEADRO C[C@](CO)([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000934493172 654850725 /nfs/dbraw/zinc/85/07/25/654850725.db2.gz AFBQDNKVQNFEHG-IUODEOHRSA-N 1 0 376.316 2.071 20 0 GEADRO CSCC(C)(C)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000934674021 654855372 /nfs/dbraw/zinc/85/53/72/654855372.db2.gz HLZRXRHSSRNIAV-UHFFFAOYSA-N 1 0 385.555 2.141 20 0 GEADRO C[N@H+](CCO)CCNC(=O)Nc1ccc(Br)cc1OC(F)F ZINC000934740279 654856869 /nfs/dbraw/zinc/85/68/69/654856869.db2.gz OUNLOAQGKFJPGB-UHFFFAOYSA-N 1 0 382.205 2.096 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc(=O)[nH]cc1Br ZINC000934938517 654866989 /nfs/dbraw/zinc/86/69/89/654866989.db2.gz KOZKALUHNRSKNO-UHFFFAOYSA-N 1 0 394.269 2.459 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cnn2cccc(Br)c12 ZINC000934954234 654868065 /nfs/dbraw/zinc/86/80/65/654868065.db2.gz OFRQXDMJPMEEIJ-ZDUSSCGKSA-N 1 0 395.301 2.064 20 0 GEADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)OCC[NH+]1CCCCC1 ZINC000915531942 654872573 /nfs/dbraw/zinc/87/25/73/654872573.db2.gz BSWJIODLEJMEMJ-UHFFFAOYSA-N 1 0 394.269 2.188 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000915593767 654874412 /nfs/dbraw/zinc/87/44/12/654874412.db2.gz WPUQUOPWNFUZOI-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935089362 654875096 /nfs/dbraw/zinc/87/50/96/654875096.db2.gz KCLNMGPGEROLEG-GYSYKLTISA-N 1 0 380.286 2.426 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935089364 654875153 /nfs/dbraw/zinc/87/51/53/654875153.db2.gz KCLNMGPGEROLEG-UHIISALHSA-N 1 0 380.286 2.426 20 0 GEADRO COc1cc(Br)cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000935108916 654876222 /nfs/dbraw/zinc/87/62/22/654876222.db2.gz ZWEYZLVGHIVKKF-UHFFFAOYSA-N 1 0 385.302 2.377 20 0 GEADRO CS[C@@H]1CN(C(=O)c2nc(Br)c3ccccn32)C[C@H]1[NH+](C)C ZINC000935115185 654876633 /nfs/dbraw/zinc/87/66/33/654876633.db2.gz WDRNRMLJTFUTGL-VXGBXAGGSA-N 1 0 383.315 2.214 20 0 GEADRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cnc1Br ZINC000935156110 654879097 /nfs/dbraw/zinc/87/90/97/654879097.db2.gz MNPFRROFZQLVLY-GOEBONIOSA-N 1 0 395.345 2.251 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC[N@H+]1C ZINC000935214114 654881748 /nfs/dbraw/zinc/88/17/48/654881748.db2.gz PIGYANURXCHMTH-MDZLAQPJSA-N 1 0 380.286 2.426 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000935225433 654882308 /nfs/dbraw/zinc/88/23/08/654882308.db2.gz GLFIMCXDOXAUPK-LSDHHAIUSA-N 1 0 382.302 2.307 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000935225427 654882317 /nfs/dbraw/zinc/88/23/17/654882317.db2.gz GLFIMCXDOXAUPK-CABCVRRESA-N 1 0 382.302 2.307 20 0 GEADRO CC[N@H+](CCNC(=O)NC1(c2ncc(Br)cn2)CCC1)C1CC1 ZINC000916115477 654888984 /nfs/dbraw/zinc/88/89/84/654888984.db2.gz VZVSHFVNHLMVOL-UHFFFAOYSA-N 1 0 382.306 2.402 20 0 GEADRO CC(C)CNC(=S)NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000916121561 654889294 /nfs/dbraw/zinc/88/92/94/654889294.db2.gz URTKFWDOAKNCJX-UHFFFAOYSA-N 1 0 379.599 2.150 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc(Br)[nH]c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000935366062 654889927 /nfs/dbraw/zinc/88/99/27/654889927.db2.gz CPRGPPGOSULUFW-RYUDHWBXSA-N 1 0 386.315 2.202 20 0 GEADRO O=C(c1ncc(Br)cn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000935744108 654913949 /nfs/dbraw/zinc/91/39/49/654913949.db2.gz SFPASMVCBBRXCR-GASCZTMLSA-N 1 0 387.281 2.443 20 0 GEADRO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)oc1Br ZINC000935953649 654929830 /nfs/dbraw/zinc/92/98/30/654929830.db2.gz HQZIWYVCAWNXJP-YHWZYXNKSA-N 1 0 398.301 2.164 20 0 GEADRO O=C(c1nccc2c(Br)cccc21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000935982164 654931817 /nfs/dbraw/zinc/93/18/17/654931817.db2.gz BREKJBWZZDJHDI-OLZOCXBDSA-N 1 0 390.281 2.278 20 0 GEADRO Cn1cc(Br)c(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1=O ZINC000935986899 654932223 /nfs/dbraw/zinc/93/22/23/654932223.db2.gz WZYWYTJUQLWCME-OAHLLOKOSA-N 1 0 396.260 2.320 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1Cl)C2 ZINC000996595250 654948626 /nfs/dbraw/zinc/94/86/26/654948626.db2.gz BIAVVIVITKWQKX-NDBYEHHHSA-N 1 0 382.917 2.143 20 0 GEADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscc1Cl)C12CC[NH+](CC1)C2 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MLUGTOLHGIOSJB-SFHVURJKSA-N 1 0 375.476 2.303 20 0 GEADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164401856 718851989 /nfs/dbraw/zinc/85/19/89/718851989.db2.gz DDZSPYNVILEIQN-BMIGLBTASA-N 1 0 389.233 2.500 20 0 GEADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164407764 718865241 /nfs/dbraw/zinc/86/52/41/718865241.db2.gz JQKLKIYUSFMZEC-YPMHNXCESA-N 1 0 390.818 2.187 20 0 GEADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164409601 718865546 /nfs/dbraw/zinc/86/55/46/718865546.db2.gz RQZPZBSHNYYZCV-DGCLKSJQSA-N 1 0 390.818 2.187 20 0 GEADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164422234 718913005 /nfs/dbraw/zinc/91/30/05/718913005.db2.gz XYPLZKNJBABMMP-KRWDZBQOSA-N 1 0 398.841 2.413 20 0 GEADRO Clc1ccc(OC(Cl)(Cl)N2CCCO[C@]3(C[NH2+]CCOC3)C2)cn1 ZINC001164425796 718919259 /nfs/dbraw/zinc/91/92/59/718919259.db2.gz VEJLDKXHGCMHRW-CQSZACIVSA-N 1 0 396.702 2.284 20 0 GEADRO NC(=O)c1ccc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1Cl ZINC001164423070 718939591 /nfs/dbraw/zinc/93/95/91/718939591.db2.gz DEJCMQWQPAVMLQ-KGLIPLIRSA-N 1 0 378.810 2.454 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)ncc1Cl ZINC001164614749 719013809 /nfs/dbraw/zinc/01/38/09/719013809.db2.gz GILBBDBQUWMGBI-JEZHCXPESA-N 1 0 381.210 2.058 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1c[nH]c2nc(Cl)ccc21 ZINC001164617086 719014858 /nfs/dbraw/zinc/01/48/58/719014858.db2.gz MBJOPUKOPLDIJH-JIMOISOXSA-N 1 0 384.814 2.491 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(OC)nc1Cl ZINC001164618713 719015105 /nfs/dbraw/zinc/01/51/05/719015105.db2.gz SNFIEMQOPWGBGL-ADEWGFFLSA-N 1 0 375.803 2.018 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C(=O)OC)cc3F)CC2)CC1 ZINC001164614401 719025242 /nfs/dbraw/zinc/02/52/42/719025242.db2.gz SEKKTLMEONLFCG-UHFFFAOYSA-N 1 0 393.459 2.251 20 0 GEADRO Cc1nc(-n2cncn2)cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 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VRZCFBJOPGOFNE-UHFFFAOYSA-N 1 0 377.876 2.193 20 0 GEADRO COC(=O)c1cc2c[nH]c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)cc-2n1 ZINC001164680622 719633912 /nfs/dbraw/zinc/63/39/12/719633912.db2.gz YYDXIPZTJMHUFB-UHFFFAOYSA-N 1 0 382.468 2.021 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164682203 719705622 /nfs/dbraw/zinc/70/56/22/719705622.db2.gz CLCVUWHZINKYGT-UHFFFAOYSA-N 1 0 377.920 2.190 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C)nc(-c3ccccn3)n1)CC2 ZINC001164690309 719740457 /nfs/dbraw/zinc/74/04/57/719740457.db2.gz ZGHKSDJPNYWWHK-UHFFFAOYSA-N 1 0 380.496 2.028 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(-c3ccncc3)nc(C)n1)CC2 ZINC001164690028 719745081 /nfs/dbraw/zinc/74/50/81/719745081.db2.gz PURVLKKQZIKWNK-UHFFFAOYSA-N 1 0 380.496 2.028 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3c(cc(OC)cc3OC)n1)CC2 ZINC001164690161 719753351 /nfs/dbraw/zinc/75/33/51/719753351.db2.gz USNWIKLIYJCQMQ-UHFFFAOYSA-N 1 0 398.507 2.433 20 0 GEADRO Cn1cnc2c1ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695326 719887823 /nfs/dbraw/zinc/88/78/23/719887823.db2.gz NYIYPHCTUYHNOF-UHFFFAOYSA-N 1 0 384.509 2.296 20 0 GEADRO Cn1cnc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c21 ZINC001164695348 719888222 /nfs/dbraw/zinc/88/82/22/719888222.db2.gz OVTBXCPMNVFAAB-UHFFFAOYSA-N 1 0 384.509 2.296 20 0 GEADRO COc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1OC ZINC001164696141 719891873 /nfs/dbraw/zinc/89/18/73/719891873.db2.gz ZGNQHFJZLYDYRQ-UHFFFAOYSA-N 1 0 390.509 2.427 20 0 GEADRO c1cnn(C[C@H]2CC[C@@]3(COCCN(c4ncccc4C[NH+]4CCCC4)C3)O2)c1 ZINC001164803151 720052190 /nfs/dbraw/zinc/05/21/90/720052190.db2.gz JFPOLJHYPAUCHB-IFMALSPDSA-N 1 0 397.523 2.329 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C(=O)OC)n1)C2 ZINC001164813653 720073547 /nfs/dbraw/zinc/07/35/47/720073547.db2.gz UUIOGOALONOCMN-KUHUBIRLSA-N 1 0 394.903 2.101 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)OC(C)C)nn1)C2 ZINC001164814226 720089031 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382.512 2.391 20 0 GEADRO Cn1nnc2c1CCN(c1cccc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714102 720166744 /nfs/dbraw/zinc/16/67/44/720166744.db2.gz OPQNTCYLJNIAFW-OAHLLOKOSA-N 1 0 376.892 2.080 20 0 GEADRO Cn1nnc2c1CCN(c1ccc(Cl)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711418 720168489 /nfs/dbraw/zinc/16/84/89/720168489.db2.gz BNONRDDTUMEBIL-MRXNPFEDSA-N 1 0 376.892 2.080 20 0 GEADRO Cn1nnc2c1CCN(c1ncc(Cl)cc1F)[C@H]2COCC[NH+]1CCCC1 ZINC001164711331 720168907 /nfs/dbraw/zinc/16/89/07/720168907.db2.gz BAEDXCZPAAGQRQ-INIZCTEOSA-N 1 0 394.882 2.219 20 0 GEADRO Cn1nnc2c1CCN(c1nc(Cl)ccc1F)[C@H]2COCC[NH+]1CCCC1 ZINC001164716205 720172625 /nfs/dbraw/zinc/17/26/25/720172625.db2.gz YXCQHOSRNWPKBD-HNNXBMFYSA-N 1 0 394.882 2.219 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nccc1C(N)=O)C2 ZINC001164815562 720192942 /nfs/dbraw/zinc/19/29/42/720192942.db2.gz IGIAGNGDGPMBML-IFXJQAMLSA-N 1 0 378.904 2.019 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(ccn3C)c(OC)n1)C2 ZINC001164815296 720196465 /nfs/dbraw/zinc/19/64/65/720196465.db2.gz YMRKFBGPPHOPJS-HRAATJIYSA-N 1 0 385.512 2.162 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)cc1N)CCC2 ZINC001164812735 720233310 /nfs/dbraw/zinc/23/33/10/720233310.db2.gz HVNJRTQTCYIZPQ-UHFFFAOYSA-N 1 0 376.892 2.124 20 0 GEADRO COc1cnc(Cl)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819672 720291780 /nfs/dbraw/zinc/29/17/80/720291780.db2.gz FTNLPPFCYNTBGW-CABCVRRESA-N 1 0 393.919 2.050 20 0 GEADRO Cc1nc2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2n1C ZINC001164829462 720318496 /nfs/dbraw/zinc/31/84/96/720318496.db2.gz MKBGWXRHILPJCK-RTBURBONSA-N 1 0 396.539 2.188 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(OCC3CC3)ncn2)CC1 ZINC001164827771 720324260 /nfs/dbraw/zinc/32/42/60/720324260.db2.gz IKNZAZLTBNXSFI-RBUKOAKNSA-N 1 0 399.539 2.177 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)c(F)cc2N)CC1 ZINC001164828931 720331053 /nfs/dbraw/zinc/33/10/53/720331053.db2.gz KOOAJVZQLPJEBV-JKSUJKDBSA-N 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/nfs/dbraw/zinc/10/84/41/532108441.db2.gz OARHXDFNPDXLPN-CQSZACIVSA-N 1 0 384.318 2.239 20 0 GEADRO CCCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123838135 532108651 /nfs/dbraw/zinc/10/86/51/532108651.db2.gz UBYPTTLFEJSCNL-SUMWQHHRSA-N 1 0 390.908 2.413 20 0 GEADRO CCCCN(C)S(=O)(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175666878 532111267 /nfs/dbraw/zinc/11/12/67/532111267.db2.gz ROJSDGTZPAQJBN-CALCHBBNSA-N 1 0 375.579 2.174 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000123477475 532100139 /nfs/dbraw/zinc/10/01/39/532100139.db2.gz HFVMARYEMZTVJE-UHFFFAOYSA-N 1 0 394.368 2.393 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000124208865 532116688 /nfs/dbraw/zinc/11/66/88/532116688.db2.gz CKRASLSDQCJFJH-UHFFFAOYSA-N 1 0 375.803 2.434 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1Cl ZINC000124289554 532117811 /nfs/dbraw/zinc/11/78/11/532117811.db2.gz XCMWGNAMHUFVSK-FZMZJTMJSA-N 1 0 388.946 2.496 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000124360531 532120249 /nfs/dbraw/zinc/12/02/49/532120249.db2.gz NISKPWVZPZSWHG-NEPJUHHUSA-N 1 0 382.507 2.436 20 0 GEADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000124396691 532120511 /nfs/dbraw/zinc/12/05/11/532120511.db2.gz JZIWQWLFZAKAQM-OAHLLOKOSA-N 1 0 382.917 2.216 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000175774480 532113665 /nfs/dbraw/zinc/11/36/65/532113665.db2.gz NSGYGUGMMDXLPH-UHFFFAOYSA-N 1 0 397.361 2.317 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000124082278 532113721 /nfs/dbraw/zinc/11/37/21/532113721.db2.gz JSVLQSLOXNTUBQ-INIZCTEOSA-N 1 0 378.300 2.374 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000175836970 532115760 /nfs/dbraw/zinc/11/57/60/532115760.db2.gz ZBFINOWADISEBW-GFCCVEGCSA-N 1 0 387.933 2.098 20 0 GEADRO COc1ccc(Br)c(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000175833680 532116220 /nfs/dbraw/zinc/11/62/20/532116220.db2.gz DNGAFDMGPYNKTA-CYBMUJFWSA-N 1 0 399.333 2.463 20 0 GEADRO COc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000124821847 532130461 /nfs/dbraw/zinc/13/04/61/532130461.db2.gz YGRGCXAGKPWUNM-CYBMUJFWSA-N 1 0 384.318 2.071 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2cccc(Br)c2)CC1 ZINC000124828460 532130628 /nfs/dbraw/zinc/13/06/28/532130628.db2.gz ZYZISLKJUUEXNU-HNNXBMFYSA-N 1 0 382.346 2.381 20 0 GEADRO C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC000176247267 532131290 /nfs/dbraw/zinc/13/12/90/532131290.db2.gz JAODSLRDVGCNPE-LLVKDONJSA-N 1 0 386.290 2.484 20 0 GEADRO COc1nc(N2CCC(OCC[NH+]3CCCC3)CC2)ncc1Br ZINC000176263234 532132175 /nfs/dbraw/zinc/13/21/75/532132175.db2.gz CFYAKBLXFAJURO-UHFFFAOYSA-N 1 0 385.306 2.329 20 0 GEADRO C[NH+](C)C1CCN(CCNc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000176816330 532150080 /nfs/dbraw/zinc/15/00/80/532150080.db2.gz RGOURODYQCWMOE-UHFFFAOYSA-N 1 0 379.448 2.418 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC[NH+](C)C)c1 ZINC000176808230 532150627 /nfs/dbraw/zinc/15/06/27/532150627.db2.gz LYIGRLWSUGMYJS-UHFFFAOYSA-N 1 0 375.922 2.003 20 0 GEADRO Cn1cc(NC(=O)CN2CCc3sccc3C2)cc(Br)c1=O ZINC000126919185 532151793 /nfs/dbraw/zinc/15/17/93/532151793.db2.gz SAAFPYLTWOJBHN-UHFFFAOYSA-N 1 0 382.283 2.206 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(I)c1 ZINC000176890623 532154308 /nfs/dbraw/zinc/15/43/08/532154308.db2.gz HOPYYVXCFNFQEA-CQSZACIVSA-N 1 0 390.265 2.378 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000125968330 532143988 /nfs/dbraw/zinc/14/39/88/532143988.db2.gz CUQIJYGCVWCQLI-XJKSGUPXSA-N 1 0 394.313 2.258 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000176919376 532155532 /nfs/dbraw/zinc/15/55/32/532155532.db2.gz DBPLZYGTFDUYLM-UHFFFAOYSA-N 1 0 394.368 2.439 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000176697687 532146836 /nfs/dbraw/zinc/14/68/36/532146836.db2.gz AXEWMGVKLBEOGR-CABCVRRESA-N 1 0 382.302 2.168 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1nnnn1-c1ccccc1Br ZINC000177315601 532168880 /nfs/dbraw/zinc/16/88/80/532168880.db2.gz BKIKJSWHIODBPV-KGLIPLIRSA-N 1 0 391.317 2.483 20 0 GEADRO C[C@H]1C[C@H](NC(=O)CSc2nnc(-c3cccs3)n2C)C[N@@H+]1C1CC1 ZINC000177072931 532160563 /nfs/dbraw/zinc/16/05/63/532160563.db2.gz AYGUHDVDFWARLX-RYUDHWBXSA-N 1 0 377.539 2.377 20 0 GEADRO COCC[N@H+](C)CCNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000128375199 532163331 /nfs/dbraw/zinc/16/33/31/532163331.db2.gz WRZPOIPGROCOTK-QGZVFWFLSA-N 1 0 398.345 2.280 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000177699140 532179990 /nfs/dbraw/zinc/17/99/90/532179990.db2.gz SGZGEEXHOVBJNK-UHFFFAOYSA-N 1 0 386.309 2.478 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC(C)(C)O ZINC000177729774 532181569 /nfs/dbraw/zinc/18/15/69/532181569.db2.gz SMWHSIUDYGVOJJ-SNVBAGLBSA-N 1 0 376.238 2.321 20 0 GEADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)S(=O)(=O)c1ccc(C)s1 ZINC000129758233 532183783 /nfs/dbraw/zinc/18/37/83/532183783.db2.gz VIODSRULQBXRQG-HNNXBMFYSA-N 1 0 388.555 2.485 20 0 GEADRO COc1cc(OC)c([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000129760233 532183795 /nfs/dbraw/zinc/18/37/95/532183795.db2.gz WKRHSWAXJHJTJO-LLVKDONJSA-N 1 0 376.906 2.432 20 0 GEADRO Cc1ccc(Br)c(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000129284667 532176007 /nfs/dbraw/zinc/17/60/07/532176007.db2.gz KWGHABBOQXDSHX-ZDUSSCGKSA-N 1 0 397.317 2.466 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(I)cc1 ZINC000130462770 532192459 /nfs/dbraw/zinc/19/24/59/532192459.db2.gz QDHMLQYWWCLECR-NSHDSACASA-N 1 0 382.267 2.087 20 0 GEADRO CSc1ncc(Cl)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000178134678 532194284 /nfs/dbraw/zinc/19/42/84/532194284.db2.gz JEWLFIKGBWDUMT-KBPBESRZSA-N 1 0 384.933 2.350 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC000131479752 532197809 /nfs/dbraw/zinc/19/78/09/532197809.db2.gz SFHOUNAJCMKPEZ-UHFFFAOYSA-N 1 0 386.901 2.376 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)C[C@H]1CCOC1 ZINC000178350852 532199762 /nfs/dbraw/zinc/19/97/62/532199762.db2.gz PWJIGVKPJZJBAK-CQSZACIVSA-N 1 0 385.302 2.255 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)C(=O)NCCN1CC[NH+](C)CC1 ZINC000131873477 532205435 /nfs/dbraw/zinc/20/54/35/532205435.db2.gz MDILRVKOIGHFLI-HNNXBMFYSA-N 1 0 382.346 2.381 20 0 GEADRO COc1ccc(Br)c(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000131990622 532207571 /nfs/dbraw/zinc/20/75/71/532207571.db2.gz QWKZNRAMSVPTAC-UHFFFAOYSA-N 1 0 380.246 2.226 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)NCC[C@H](C)[NH3+])c(Cl)cc1Cl ZINC000178634379 532208202 /nfs/dbraw/zinc/20/82/02/532208202.db2.gz IENMCLBFEWVIFS-JTQLQIEISA-N 1 0 396.340 2.395 20 0 GEADRO CC(C)(C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(Br)cc1 ZINC000132191664 532210653 /nfs/dbraw/zinc/21/06/53/532210653.db2.gz HQLLIUYPBUJKQJ-ZDUSSCGKSA-N 1 0 396.329 2.040 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cccc2c1OCCO2)c1ccc(Cl)s1 ZINC000178968041 532219103 /nfs/dbraw/zinc/21/91/03/532219103.db2.gz QJEYSOKIDDOXAG-UHFFFAOYSA-N 1 0 388.898 2.241 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000178858425 532214561 /nfs/dbraw/zinc/21/45/61/532214561.db2.gz NIGQXNFKMOELSS-UWVGGRQHSA-N 1 0 388.331 2.215 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000178858413 532214997 /nfs/dbraw/zinc/21/49/97/532214997.db2.gz NIGQXNFKMOELSS-NXEZZACHSA-N 1 0 388.331 2.215 20 0 GEADRO Cc1ccc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(Br)n1 ZINC000178896893 532216821 /nfs/dbraw/zinc/21/68/21/532216821.db2.gz KXYCQBPNBGNFLY-CYBMUJFWSA-N 1 0 382.302 2.478 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000132499899 532216957 /nfs/dbraw/zinc/21/69/57/532216957.db2.gz JVOYYVMKLRLDEA-JTQLQIEISA-N 1 0 384.139 2.483 20 0 GEADRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000132569850 532218196 /nfs/dbraw/zinc/21/81/96/532218196.db2.gz BBKRBSWYPBCRQN-CQSZACIVSA-N 1 0 381.217 2.043 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CCC([NH2+]C)CC2)cc1Br ZINC000178952061 532218291 /nfs/dbraw/zinc/21/82/91/532218291.db2.gz AKESMJDHHCQTNJ-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Br)cc2OC)CC1 ZINC000132604785 532218531 /nfs/dbraw/zinc/21/85/31/532218531.db2.gz XDTYGGTZVDYVEL-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131715821 532202783 /nfs/dbraw/zinc/20/27/83/532202783.db2.gz NTKHXUREHYFPFP-AWEZNQCLSA-N 1 0 387.293 2.484 20 0 GEADRO COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@H](c1cccs1)N(C)C ZINC000178495308 532202901 /nfs/dbraw/zinc/20/29/01/532202901.db2.gz STRARRIBRMBNJE-CYBMUJFWSA-N 1 0 386.470 2.255 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C(N)=O)cs2)cc1 ZINC000131787247 532202912 /nfs/dbraw/zinc/20/29/12/532202912.db2.gz LKGJGWQVIAGHCX-UHFFFAOYSA-N 1 0 381.523 2.166 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2cncnc2)CC1 ZINC000131813952 532204079 /nfs/dbraw/zinc/20/40/79/532204079.db2.gz PDTHSSFCBMTWKN-UHFFFAOYSA-N 1 0 376.258 2.485 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000178985483 532219560 /nfs/dbraw/zinc/21/95/60/532219560.db2.gz RNYDVVNOUASNSO-UHFFFAOYSA-N 1 0 396.289 2.096 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000178998161 532220316 /nfs/dbraw/zinc/22/03/16/532220316.db2.gz QBXTWKUKFQBGDX-LBPRGKRZSA-N 1 0 387.933 2.098 20 0 GEADRO C[NH2+]C1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000179136557 532223346 /nfs/dbraw/zinc/22/33/46/532223346.db2.gz CDETWHDQXRTZHN-OAHLLOKOSA-N 1 0 380.286 2.012 20 0 GEADRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000179130570 532223635 /nfs/dbraw/zinc/22/36/35/532223635.db2.gz GRELZCDVPGSLFT-CYBMUJFWSA-N 1 0 381.523 2.323 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(Br)cc1I ZINC000179188329 532224532 /nfs/dbraw/zinc/22/45/32/532224532.db2.gz ZGQCOSIUZFGAIT-SSDOTTSWSA-N 1 0 397.054 2.473 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000133654687 532240392 /nfs/dbraw/zinc/24/03/92/532240392.db2.gz LSKYOMRGDGDYRQ-GASCZTMLSA-N 1 0 397.361 2.418 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179662248 532240420 /nfs/dbraw/zinc/24/04/20/532240420.db2.gz VEOMCWDXZRQZSI-PBHICJAKSA-N 1 0 397.313 2.317 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000179759922 532242779 /nfs/dbraw/zinc/24/27/79/532242779.db2.gz NBRRGTWXFKJYOO-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000133845734 532243817 /nfs/dbraw/zinc/24/38/17/532243817.db2.gz MYXODPZXRIRXDA-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2C)C1 ZINC000179805894 532244797 /nfs/dbraw/zinc/24/47/97/532244797.db2.gz AVNINQKFQANISM-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000179886558 532248788 /nfs/dbraw/zinc/24/87/88/532248788.db2.gz KPHGBYSNSHUFKM-ZDUSSCGKSA-N 1 0 397.317 2.185 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000134149875 532250614 /nfs/dbraw/zinc/25/06/14/532250614.db2.gz ZABFDFBXRFPJHM-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000133520985 532237322 /nfs/dbraw/zinc/23/73/22/532237322.db2.gz RAIKAHVBZNAXRR-UHFFFAOYSA-N 1 0 396.329 2.416 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(Cc2ncc(Br)cc2Br)CCO1 ZINC000135331178 532271117 /nfs/dbraw/zinc/27/11/17/532271117.db2.gz GOCXDGQLXNCBPY-PRHODGIISA-N 1 0 379.096 2.155 20 0 GEADRO Cc1nc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)sc1Br ZINC000180082879 532256061 /nfs/dbraw/zinc/25/60/61/532256061.db2.gz ITZPBHJBOPGDBG-NSHDSACASA-N 1 0 394.360 2.320 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000134420650 532256563 /nfs/dbraw/zinc/25/65/63/532256563.db2.gz DGANPHIUBNJOAQ-UHFFFAOYSA-N 1 0 380.290 2.492 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180203294 532261421 /nfs/dbraw/zinc/26/14/21/532261421.db2.gz ZPIFYFUPPCJALX-CVEARBPZSA-N 1 0 375.296 2.332 20 0 GEADRO O=C(NCC[NH2+][C@@H]1CCCOc2c(Br)cccc21)c1ccn[nH]1 ZINC000180214790 532261864 /nfs/dbraw/zinc/26/18/64/532261864.db2.gz ABCICBUNZSUTMG-CYBMUJFWSA-N 1 0 379.258 2.406 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)ccn1 ZINC000135089168 532267109 /nfs/dbraw/zinc/26/71/09/532267109.db2.gz QSOJOFWBCXOOBG-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2cccc(Cl)c2F)ccn1 ZINC000135080045 532267282 /nfs/dbraw/zinc/26/72/82/532267282.db2.gz MXZIPFGMEQGFFA-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO COc1ccc(Br)c(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000180627703 532276228 /nfs/dbraw/zinc/27/62/28/532276228.db2.gz LRFWKYYKCGFPPC-UHFFFAOYSA-N 1 0 391.331 2.314 20 0 GEADRO COc1sc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1Br ZINC000180627051 532276859 /nfs/dbraw/zinc/27/68/59/532276859.db2.gz CGDXTZOZQKNEEU-UHFFFAOYSA-N 1 0 397.360 2.375 20 0 GEADRO CCc1nc2c(s1)[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)CCC2 ZINC000180750523 532279370 /nfs/dbraw/zinc/27/93/70/532279370.db2.gz IPDMOJLATHEBCG-ZIAGYGMSSA-N 1 0 387.571 2.161 20 0 GEADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000180765657 532280272 /nfs/dbraw/zinc/28/02/72/532280272.db2.gz IXLVLUSSUXVINC-ONGXEEELSA-N 1 0 378.782 2.205 20 0 GEADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc([S@](C)=O)cc1 ZINC000180800551 532281311 /nfs/dbraw/zinc/28/13/11/532281311.db2.gz JYPWVOAGCXMMKX-MCFWBGNESA-N 1 0 394.509 2.339 20 0 GEADRO C[NH+]1CCC(NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000136334770 532284063 /nfs/dbraw/zinc/28/40/63/532284063.db2.gz LKLSTSPEDCHRON-UHFFFAOYSA-N 1 0 395.345 2.371 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1cccnc1Cl ZINC000180983568 532287737 /nfs/dbraw/zinc/28/77/37/532287737.db2.gz QJVNFDXGOGGINN-CYBMUJFWSA-N 1 0 387.933 2.359 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cc2c(cc1Br)OCCO2 ZINC000180480230 532272651 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COCC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2F)CC1 ZINC000141608123 532295159 /nfs/dbraw/zinc/29/51/59/532295159.db2.gz SRCHXORONSCVMI-UHFFFAOYSA-N 1 0 389.265 2.194 20 0 GEADRO COCC[NH+]1CCC(NC(=O)CCOc2cccc(Br)c2)CC1 ZINC000141576569 532295404 /nfs/dbraw/zinc/29/54/04/532295404.db2.gz JHJCIYOCYRTLAD-UHFFFAOYSA-N 1 0 385.302 2.445 20 0 GEADRO NC(=O)C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000182054330 532308465 /nfs/dbraw/zinc/30/84/65/532308465.db2.gz BTDNFVRSNWRHEH-ZBFHGGJFSA-N 1 0 382.302 2.389 20 0 GEADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000181384409 532297251 /nfs/dbraw/zinc/29/72/51/532297251.db2.gz BHOMRQZWMYYCBM-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)O1 ZINC000182042040 532308506 /nfs/dbraw/zinc/30/85/06/532308506.db2.gz DAUAGJNPZHIWMI-NVXWUHKLSA-N 1 0 395.297 2.450 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(Br)n1 ZINC000181448172 532299685 /nfs/dbraw/zinc/29/96/85/532299685.db2.gz JRUVKBUMYCODLB-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO CC[NH+](CC)CCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000148537329 532299716 /nfs/dbraw/zinc/29/97/16/532299716.db2.gz CKKMFFWHYYJDKH-JTQLQIEISA-N 1 0 376.320 2.087 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cccc(C(F)(F)F)c1 ZINC000181606065 532303194 /nfs/dbraw/zinc/30/31/94/532303194.db2.gz BCAIKVVEVHJUMS-LLVKDONJSA-N 1 0 376.404 2.068 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000150874763 532303491 /nfs/dbraw/zinc/30/34/91/532303491.db2.gz SIGUAJMDWXQTFF-CYBMUJFWSA-N 1 0 393.347 2.393 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000150879628 532303547 /nfs/dbraw/zinc/30/35/47/532303547.db2.gz ZAYHCDGOQWZCEW-NSHDSACASA-N 1 0 399.376 2.454 20 0 GEADRO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cnn(C)c1C(F)(F)F ZINC000150975074 532305022 /nfs/dbraw/zinc/30/50/22/532305022.db2.gz DBFSWDHAQOXVJQ-SNVBAGLBSA-N 1 0 376.404 2.279 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH2+]C)C2)ccc1Cl ZINC000150996200 532305541 /nfs/dbraw/zinc/30/55/41/532305541.db2.gz GANBJUCABJXLHJ-AWEZNQCLSA-N 1 0 387.933 2.195 20 0 GEADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(I)c1 ZINC000150991607 532305562 /nfs/dbraw/zinc/30/55/62/532305562.db2.gz SCRNOFRKHOBNHD-UHFFFAOYSA-N 1 0 394.278 2.006 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000181751035 532306077 /nfs/dbraw/zinc/30/60/77/532306077.db2.gz LQUJWFASQLFRHK-KOLCDFICSA-N 1 0 396.207 2.418 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000181895822 532307318 /nfs/dbraw/zinc/30/73/18/532307318.db2.gz BVGFLAXXCBAQOG-NSHDSACASA-N 1 0 375.803 2.433 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000182032509 532308737 /nfs/dbraw/zinc/30/87/37/532308737.db2.gz KUVXLTSFLPAWLF-INIZCTEOSA-N 1 0 384.318 2.427 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000151206216 532308048 /nfs/dbraw/zinc/30/80/48/532308048.db2.gz NFZLCRVBTOJPSX-GHMZBOCLSA-N 1 0 388.331 2.182 20 0 GEADRO COCCC[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000183360772 532324136 /nfs/dbraw/zinc/32/41/36/532324136.db2.gz AGZCMTISMUPPRL-INIZCTEOSA-N 1 0 385.302 2.365 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C2CCN(CC(F)(F)F)CC2)c(C)s1 ZINC000183362550 532324198 /nfs/dbraw/zinc/32/41/98/532324198.db2.gz AFPMJEPJOPUHFM-UHFFFAOYSA-N 1 0 399.504 2.260 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)C1CC1 ZINC000183523236 532325657 /nfs/dbraw/zinc/32/56/57/532325657.db2.gz GIACICZPZWBBKU-UHFFFAOYSA-N 1 0 375.803 2.480 20 0 GEADRO CCSc1ccc([C@H](C)[NH2+]CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000182131497 532309761 /nfs/dbraw/zinc/30/97/61/532309761.db2.gz OEMCEKUTRXXYOU-GOEBONIOSA-N 1 0 384.567 2.485 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)[C@H]1CCCO1 ZINC000182335346 532311826 /nfs/dbraw/zinc/31/18/26/532311826.db2.gz BMBURUOWEXIEIM-UKRRQHHQSA-N 1 0 398.301 2.051 20 0 GEADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000182380256 532312249 /nfs/dbraw/zinc/31/22/49/532312249.db2.gz JSNSZDRJRQJPQR-DLBZAZTESA-N 1 0 375.579 2.174 20 0 GEADRO Cc1cc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cnc1Br ZINC000182450660 532313367 /nfs/dbraw/zinc/31/33/67/532313367.db2.gz HXZSNCQVIDZEQY-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)cnc1Br ZINC000182673924 532316426 /nfs/dbraw/zinc/31/64/26/532316426.db2.gz LHURZPNQSGLTDF-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cnc1Br ZINC000182767181 532317380 /nfs/dbraw/zinc/31/73/80/532317380.db2.gz HMXZORSEQIQQPM-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)n1 ZINC000182811623 532317700 /nfs/dbraw/zinc/31/77/00/532317700.db2.gz YXYVDRQINQGKSD-CABCVRRESA-N 1 0 382.302 2.342 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)C1 ZINC000182804604 532317911 /nfs/dbraw/zinc/31/79/11/532317911.db2.gz HQCBZEIBAWEPOM-ZDUSSCGKSA-N 1 0 383.290 2.034 20 0 GEADRO CN(CCC[NH+]1CCN(C)CC1)Cc1cc2c(cc1Br)OCO2 ZINC000182959976 532320096 /nfs/dbraw/zinc/32/00/96/532320096.db2.gz UCXGBSZVKXMGJQ-UHFFFAOYSA-N 1 0 384.318 2.247 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000182989068 532320497 /nfs/dbraw/zinc/32/04/97/532320497.db2.gz VUQYPAVXPUKLPN-UHFFFAOYSA-N 1 0 384.274 2.098 20 0 GEADRO CC[NH2+]CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000183141705 532321491 /nfs/dbraw/zinc/32/14/91/532321491.db2.gz FVEKIWFGIGWUED-UHFFFAOYSA-N 1 0 391.209 2.236 20 0 GEADRO C[C@@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000183219064 532322274 /nfs/dbraw/zinc/32/22/74/532322274.db2.gz KANCEPFSMWANEG-QJPTWQEYSA-N 1 0 388.249 2.321 20 0 GEADRO CC1(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000183327066 532323553 /nfs/dbraw/zinc/32/35/53/532323553.db2.gz PGKVHWAGQDUSJS-HNNXBMFYSA-N 1 0 381.929 2.361 20 0 GEADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000185163408 532336983 /nfs/dbraw/zinc/33/69/83/532336983.db2.gz KICZYOSCHXVZJW-DRPJVOAASA-N 1 0 379.913 2.051 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000185654234 532338299 /nfs/dbraw/zinc/33/82/99/532338299.db2.gz DQGLPVUGWBLHFU-UHFFFAOYSA-N 1 0 389.315 2.363 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000187247254 532343704 /nfs/dbraw/zinc/34/37/04/532343704.db2.gz RXTSAMNNSQOQID-UHFFFAOYSA-N 1 0 386.334 2.340 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc(Br)cc2c1OCC2)[N@H+](C)C1CC1 ZINC000185953683 532339373 /nfs/dbraw/zinc/33/93/73/532339373.db2.gz NNGISHSAPPBAQL-JTQLQIEISA-N 1 0 389.315 2.145 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186029537 532339497 /nfs/dbraw/zinc/33/94/97/532339497.db2.gz PVIVIAMEBYJKBU-NXHRZFHOSA-N 1 0 387.567 2.493 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000186277740 532340427 /nfs/dbraw/zinc/34/04/27/532340427.db2.gz XXQZSSWFSTWVCE-UHFFFAOYSA-N 1 0 395.305 2.327 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NCC3=CC[NH2+]CC3)CC2=O)ccc1Br ZINC000186350520 532340589 /nfs/dbraw/zinc/34/05/89/532340589.db2.gz OQEGHAVNCJYEBY-AWEZNQCLSA-N 1 0 392.297 2.146 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000186457055 532340839 /nfs/dbraw/zinc/34/08/39/532340839.db2.gz XFVYSDNPOGXGKS-KBPBESRZSA-N 1 0 378.489 2.185 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(Cc1cccs1)C1CC1 ZINC000186610809 532341561 /nfs/dbraw/zinc/34/15/61/532341561.db2.gz XYSZAAQUUJBJSU-UHFFFAOYSA-N 1 0 382.555 2.476 20 0 GEADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1 ZINC000186871690 532342329 /nfs/dbraw/zinc/34/23/29/532342329.db2.gz BRINZKCGOWNDEB-AWEZNQCLSA-N 1 0 376.544 2.314 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)s1 ZINC000186909530 532342438 /nfs/dbraw/zinc/34/24/38/532342438.db2.gz CXIIQNKPEXAVGH-NSHDSACASA-N 1 0 375.332 2.357 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(F)cc1Br ZINC000187095184 532343067 /nfs/dbraw/zinc/34/30/67/532343067.db2.gz ZRZVGNJOJPAYNE-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000183641620 532326916 /nfs/dbraw/zinc/32/69/16/532326916.db2.gz NLEHSEDLYDSYFH-VIFPVBQESA-N 1 0 395.294 2.358 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@@H+]1C ZINC000183671035 532327589 /nfs/dbraw/zinc/32/75/89/532327589.db2.gz LKZCFMPAZVOORT-MNOVXSKESA-N 1 0 396.285 2.335 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183835668 532329359 /nfs/dbraw/zinc/32/93/59/532329359.db2.gz VQGOOAZCNYQSCD-MNOVXSKESA-N 1 0 396.285 2.383 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)CSc1nnc2ccccn21 ZINC000183878848 532329619 /nfs/dbraw/zinc/32/96/19/532329619.db2.gz LQTRTNZPQFWSDV-UHFFFAOYSA-N 1 0 375.523 2.473 20 0 GEADRO O=c1c2ccccc2ncn1CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183898098 532330018 /nfs/dbraw/zinc/33/00/18/532330018.db2.gz NWDWEQGDJHUGQI-QGZVFWFLSA-N 1 0 388.265 2.482 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)COc1ccc2ccccc2c1Br ZINC000183959466 532330505 /nfs/dbraw/zinc/33/05/05/532330505.db2.gz SVESTYBAQIMOAF-UHFFFAOYSA-N 1 0 395.297 2.412 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+][C@]1(CO)CCOC1 ZINC000184190830 532331103 /nfs/dbraw/zinc/33/11/03/532331103.db2.gz VTALBULDXGTMTN-ZDUSSCGKSA-N 1 0 395.091 2.461 20 0 GEADRO COc1cc(C[NH2+][C@]2(CO)CCOC2)cc(Br)c1OC(F)F ZINC000184199301 532331239 /nfs/dbraw/zinc/33/12/39/532331239.db2.gz KTZPFAJRYPLGOA-AWEZNQCLSA-N 1 0 382.201 2.300 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(F)c(F)cc1Br ZINC000184301054 532331584 /nfs/dbraw/zinc/33/15/84/532331584.db2.gz WXDBAYQOUUFJHE-LLVKDONJSA-N 1 0 390.272 2.483 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000184669528 532334228 /nfs/dbraw/zinc/33/42/28/532334228.db2.gz JALSFWMTRRJQIC-UHFFFAOYSA-N 1 0 398.301 2.163 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)c4ccccc4)s3)C[C@@H]12 ZINC000184976848 532336373 /nfs/dbraw/zinc/33/63/73/532336373.db2.gz SEXVYAYPSIJGTH-BPLDGKMQSA-N 1 0 376.503 2.390 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)CNC(=O)c1ccc(Br)s1 ZINC000188020684 532346424 /nfs/dbraw/zinc/34/64/24/532346424.db2.gz KJLLUOCRPZNTSL-UHFFFAOYSA-N 1 0 388.331 2.183 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000188076782 532346550 /nfs/dbraw/zinc/34/65/50/532346550.db2.gz NMPGLLMYFBTSMR-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000188118459 532346759 /nfs/dbraw/zinc/34/67/59/532346759.db2.gz IGBAWGWIOZRXDP-UHFFFAOYSA-N 1 0 386.290 2.106 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)c(C)nc1OC ZINC000188189739 532347234 /nfs/dbraw/zinc/34/72/34/532347234.db2.gz ORIZWGQZPSKPKC-GFCCVEGCSA-N 1 0 388.306 2.248 20 0 GEADRO CS(=O)(=O)CCCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000188199251 532347260 /nfs/dbraw/zinc/34/72/60/532347260.db2.gz AJPIPEKFJUQWHW-OAHLLOKOSA-N 1 0 387.571 2.399 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c(Br)n1 ZINC000188254671 532347665 /nfs/dbraw/zinc/34/76/65/532347665.db2.gz IRFRWHUJJKZNAC-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000188460094 532348333 /nfs/dbraw/zinc/34/83/33/532348333.db2.gz FWPPKYFJHCILCP-OAHLLOKOSA-N 1 0 391.269 2.032 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1Br ZINC000188638424 532348891 /nfs/dbraw/zinc/34/88/91/532348891.db2.gz ZDHFZKPGOBRUPH-LLVKDONJSA-N 1 0 387.322 2.213 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000188659648 532348963 /nfs/dbraw/zinc/34/89/63/532348963.db2.gz YNQMADMBZFRIQQ-GFCCVEGCSA-N 1 0 387.293 2.434 20 0 GEADRO O=C(CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)NC1CC1 ZINC000188697409 532349247 /nfs/dbraw/zinc/34/92/47/532349247.db2.gz MNPINOCYVFLGHW-UHFFFAOYSA-N 1 0 396.329 2.434 20 0 GEADRO O[C@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCSC1 ZINC000188748872 532349326 /nfs/dbraw/zinc/34/93/26/532349326.db2.gz WUQRLLMMSSNKAC-INIZCTEOSA-N 1 0 387.343 2.243 20 0 GEADRO OCC[C@@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCOC1 ZINC000188752218 532349493 /nfs/dbraw/zinc/34/94/93/532349493.db2.gz HVJSTQMDYTVBBH-SFHVURJKSA-N 1 0 399.329 2.164 20 0 GEADRO COc1cc(/C=C/C(=O)N2CC[NH+]3CCC2CC3)cc(Br)c1O ZINC000188836690 532349713 /nfs/dbraw/zinc/34/97/13/532349713.db2.gz RBCFCAGTLMFPKK-NSCUHMNNSA-N 1 0 381.270 2.483 20 0 GEADRO O=C(c1cc(Br)ncc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188908983 532350064 /nfs/dbraw/zinc/35/00/64/532350064.db2.gz WQTWRSPAWHWOOD-NSHDSACASA-N 1 0 388.693 2.292 20 0 GEADRO COc1cc(/C=C/C(=O)NCC[N@@H+]2CCCOCC2)cc(Br)c1O ZINC000189405275 532352043 /nfs/dbraw/zinc/35/20/43/532352043.db2.gz HXTIUFCRVDZWRT-ONEGZZNKSA-N 1 0 399.285 2.015 20 0 GEADRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000189399519 532352055 /nfs/dbraw/zinc/35/20/55/532352055.db2.gz ZAHAZYCEIVJRHZ-MNOVXSKESA-N 1 0 378.441 2.209 20 0 GEADRO CCN(CC(=O)NCCc1nc2ccccc2s1)C[C@H](O)C(F)(F)F ZINC000189448683 532352311 /nfs/dbraw/zinc/35/23/11/532352311.db2.gz QCKLNUCMIUBPJM-ZDUSSCGKSA-N 1 0 375.416 2.200 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000189561494 532352709 /nfs/dbraw/zinc/35/27/09/532352709.db2.gz ZLUSOXRGAOXUTL-QWHCGFSZSA-N 1 0 385.302 2.107 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCOCC(F)F)C2)cc1 ZINC000189645525 532353179 /nfs/dbraw/zinc/35/31/79/532353179.db2.gz YGEKKPCLOSPKIL-OAHLLOKOSA-N 1 0 376.469 2.267 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)cc1 ZINC000189836855 532353851 /nfs/dbraw/zinc/35/38/51/532353851.db2.gz FSJBLQANTGBAFJ-SNVBAGLBSA-N 1 0 390.374 2.460 20 0 GEADRO CCOC(=O)c1csc(CC[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)n1 ZINC000189913614 532354148 /nfs/dbraw/zinc/35/41/48/532354148.db2.gz BXDYRYYUVBUSDB-CYBMUJFWSA-N 1 0 381.885 2.202 20 0 GEADRO CC(C)(O)C[N@H+](CC(=O)Nc1ccccc1I)C1CC1 ZINC000189961738 532354201 /nfs/dbraw/zinc/35/42/01/532354201.db2.gz BCIIOXRVVKCBSI-UHFFFAOYSA-N 1 0 388.249 2.465 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000190004266 532354403 /nfs/dbraw/zinc/35/44/03/532354403.db2.gz ZHHLGKJYLGPFSV-CHWSQXEVSA-N 1 0 388.555 2.489 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000190243265 532355385 /nfs/dbraw/zinc/35/53/85/532355385.db2.gz UEIJKUITEGMRBH-SCRDCRAPSA-N 1 0 388.555 2.488 20 0 GEADRO C[C@@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1CCO ZINC000190250074 532355515 /nfs/dbraw/zinc/35/55/15/532355515.db2.gz CLFJPCOKJPLPLE-CQSZACIVSA-N 1 0 379.302 2.133 20 0 GEADRO C[C@H](CNC(=O)C1(c2ccccc2Br)CC1)C[NH+]1CCN(C)CC1 ZINC000190381507 532355836 /nfs/dbraw/zinc/35/58/36/532355836.db2.gz RSGFANZRBCJBDX-OAHLLOKOSA-N 1 0 394.357 2.480 20 0 GEADRO C[N@@H+]1CCCN(C(=O)c2nc(Br)ccc2Br)CC1 ZINC000190428277 532355948 /nfs/dbraw/zinc/35/59/48/532355948.db2.gz BLMGQBNZFRHFJR-UHFFFAOYSA-N 1 0 377.080 2.384 20 0 GEADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000190417593 532355988 /nfs/dbraw/zinc/35/59/88/532355988.db2.gz DCKLZWDABUDEQM-UHFFFAOYSA-N 1 0 392.258 2.298 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000190517916 532356470 /nfs/dbraw/zinc/35/64/70/532356470.db2.gz CUBSZPSRHAWTCA-ZDUSSCGKSA-N 1 0 390.933 2.468 20 0 GEADRO COC[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190510619 532356559 /nfs/dbraw/zinc/35/65/59/532356559.db2.gz BCMKZEOBAQCLBG-GJZGRUSLSA-N 1 0 388.302 2.446 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000190687297 532357469 /nfs/dbraw/zinc/35/74/69/532357469.db2.gz VKWXAZGJLUKWKX-CQSZACIVSA-N 1 0 391.306 2.447 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190837223 532358354 /nfs/dbraw/zinc/35/83/54/532358354.db2.gz ZLAFJSVJBJIKFV-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO CC(C)[C@H](CNC(=O)NCCCCCS(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000187355610 532344084 /nfs/dbraw/zinc/34/40/84/532344084.db2.gz MAFWAHWOZJKOOZ-KRWDZBQOSA-N 1 0 375.579 2.257 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CCC[C@@H]([NH3+])C3)[nH]c(=O)c2c1C ZINC000191326813 532360529 /nfs/dbraw/zinc/36/05/29/532360529.db2.gz YFDXWVRBUKMVGW-NWDGAFQWSA-N 1 0 380.539 2.173 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000187593278 532344902 /nfs/dbraw/zinc/34/49/02/532344902.db2.gz FRLGUILLDTYSIV-UONOGXRCSA-N 1 0 384.318 2.354 20 0 GEADRO CCOc1ccc(Br)cc1CN(C(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000187691625 532345075 /nfs/dbraw/zinc/34/50/75/532345075.db2.gz LHISRQQGNCEXPR-MRXNPFEDSA-N 1 0 383.286 2.327 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187716662 532345240 /nfs/dbraw/zinc/34/52/40/532345240.db2.gz OEPFLQRZTPXQLW-OLZOCXBDSA-N 1 0 376.473 2.080 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc2c(cc1Br)OCO2 ZINC000621907787 532372120 /nfs/dbraw/zinc/37/21/20/532372120.db2.gz BBOFLNCZMVVADO-LLVKDONJSA-N 1 0 387.274 2.264 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)[C@@H](C)C[NH2+]1 ZINC000647250673 532372327 /nfs/dbraw/zinc/37/23/27/532372327.db2.gz QIIVLDFPZFGDOR-QWRGUYRKSA-N 1 0 386.315 2.312 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000647256372 532372376 /nfs/dbraw/zinc/37/23/76/532372376.db2.gz PEHNTXSDGGWBLV-CYBMUJFWSA-N 1 0 391.331 2.385 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc21 ZINC000647259671 532372491 /nfs/dbraw/zinc/37/24/91/532372491.db2.gz MCODKTBGNRFRMR-QWRGUYRKSA-N 1 0 386.315 2.489 20 0 GEADRO O=C(N[C@@H]1CCc2c1cccc2Br)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000372103024 532372601 /nfs/dbraw/zinc/37/26/01/532372601.db2.gz PXRFYOBKCIBXJP-DFHPZWACSA-N 1 0 377.282 2.367 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1cc(OC)c(OC)cc1Br ZINC000294630961 532372691 /nfs/dbraw/zinc/37/26/91/532372691.db2.gz XAHKHOVFWGDFHH-UHFFFAOYSA-N 1 0 389.290 2.164 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647264214 532372962 /nfs/dbraw/zinc/37/29/62/532372962.db2.gz UCOHLHSEZILZAL-ONGXEEELSA-N 1 0 379.707 2.475 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000590479293 532373982 /nfs/dbraw/zinc/37/39/82/532373982.db2.gz XQVMPAIZZUBLOK-CZUORRHYSA-N 1 0 396.329 2.366 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425216534 532374297 /nfs/dbraw/zinc/37/42/97/532374297.db2.gz RJJZGWXNVBEELH-XHDPSFHLSA-N 1 0 389.315 2.172 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516018547 532375788 /nfs/dbraw/zinc/37/57/88/532375788.db2.gz FXFOVFRLUNXKPW-INIZCTEOSA-N 1 0 384.249 2.129 20 0 GEADRO C[C@H](CNC(=O)c1cccnc1-n1cc(Br)cn1)[N@H+](C)C1CC1 ZINC000294679363 532375707 /nfs/dbraw/zinc/37/57/07/532375707.db2.gz TVQBPWHFLOVWGC-LLVKDONJSA-N 1 0 378.274 2.242 20 0 GEADRO Cc1cnc(NCCN2CCC([NH+](C)C)CC2)c(I)c1 ZINC000425225032 532376393 /nfs/dbraw/zinc/37/63/93/532376393.db2.gz FOGKJUBXDVOEFZ-UHFFFAOYSA-N 1 0 388.297 2.433 20 0 GEADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@@H](N2CCOCC2)C1 ZINC000622073070 532377103 /nfs/dbraw/zinc/37/71/03/532377103.db2.gz ILZOZGSJBFPSJE-GFCCVEGCSA-N 1 0 397.269 2.115 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4c(cc3Br)OCO4)[C@H]2C1 ZINC000622068170 532377487 /nfs/dbraw/zinc/37/74/87/532377487.db2.gz CNOXPPMEPTVHQN-UONOGXRCSA-N 1 0 397.269 2.113 20 0 GEADRO CN(CCNCc1nccn1-c1ccccc1)S(=O)(=O)c1cccs1 ZINC000191448045 532360967 /nfs/dbraw/zinc/36/09/67/532360967.db2.gz JWOQJPHNUQQKOT-UHFFFAOYSA-N 1 0 376.507 2.344 20 0 GEADRO Cc1ccc([C@@H]2C[C@@H]2C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000371918567 532361923 /nfs/dbraw/zinc/36/19/23/532361923.db2.gz NARLRKUNKYOLLE-OAGGEKHMSA-N 1 0 384.567 2.127 20 0 GEADRO COCC[NH+]1CCC(N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000191681311 532362078 /nfs/dbraw/zinc/36/20/78/532362078.db2.gz ZNDJCZWOYCUXTJ-QGZVFWFLSA-N 1 0 396.329 2.255 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000277760521 532363122 /nfs/dbraw/zinc/36/31/22/532363122.db2.gz RFYLMCPHXLNRTN-UHFFFAOYSA-N 1 0 386.901 2.279 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)NC(C)(C)C[NH3+] ZINC000515416892 532363494 /nfs/dbraw/zinc/36/34/94/532363494.db2.gz QMMFPGNPNYRLKG-UHFFFAOYSA-N 1 0 382.629 2.420 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)C2 ZINC000621695637 532364361 /nfs/dbraw/zinc/36/43/61/532364361.db2.gz YBGDJEFJMSXRJC-GTNSWQLSSA-N 1 0 398.276 2.048 20 0 GEADRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000621661194 532364611 /nfs/dbraw/zinc/36/46/11/532364611.db2.gz IVTHDXRVUGBLIA-CXAGYDPISA-N 1 0 394.313 2.228 20 0 GEADRO CCn1nncc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425096493 532364612 /nfs/dbraw/zinc/36/46/12/532364612.db2.gz FFSDCHIMNMCSDS-UHFFFAOYSA-N 1 0 395.305 2.311 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cnccn1 ZINC000425095200 532364625 /nfs/dbraw/zinc/36/46/25/532364625.db2.gz ALVXVJOEYLMPKD-UHFFFAOYSA-N 1 0 378.274 2.489 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC([NH2+]Cc2ccc(CO)c(F)c2)CC1 ZINC000371977015 532364781 /nfs/dbraw/zinc/36/47/81/532364781.db2.gz ADALYZSAPRHBJE-UHFFFAOYSA-N 1 0 384.498 2.322 20 0 GEADRO CCCN(C(=O)C(=O)NCc1ccsc1Br)[C@H]1CC[N@H+](C)C1 ZINC000647041429 532364841 /nfs/dbraw/zinc/36/48/41/532364841.db2.gz IGSPJGNZMSMTOZ-LBPRGKRZSA-N 1 0 388.331 2.070 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)c[nH]c2=O)C[C@H]1c1ccccc1 ZINC000621656501 532365079 /nfs/dbraw/zinc/36/50/79/532365079.db2.gz QNBXSIOUNALYOW-DOMZBBRYSA-N 1 0 376.254 2.364 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cncnc1 ZINC000425098116 532365179 /nfs/dbraw/zinc/36/51/79/532365179.db2.gz KBZZXJSTGCCUQN-UHFFFAOYSA-N 1 0 378.274 2.489 20 0 GEADRO COc1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1Br ZINC000277886725 532365367 /nfs/dbraw/zinc/36/53/67/532365367.db2.gz VUGHLUCFUWWNRB-GJZGRUSLSA-N 1 0 380.286 2.399 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000590001716 532365867 /nfs/dbraw/zinc/36/58/67/532365867.db2.gz FBESQBNADWMZOC-CVEARBPZSA-N 1 0 394.313 2.355 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cc1cc[nH]n1 ZINC000425099737 532365964 /nfs/dbraw/zinc/36/59/64/532365964.db2.gz QXQPGOIVNTUTLN-UHFFFAOYSA-N 1 0 380.290 2.351 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C2 ZINC000621697484 532365990 /nfs/dbraw/zinc/36/59/90/532365990.db2.gz IIUWYRBWIXPGEC-JOQOYGCGSA-N 1 0 379.913 2.195 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000590001717 532366412 /nfs/dbraw/zinc/36/64/12/532366412.db2.gz FBESQBNADWMZOC-HOTGVXAUSA-N 1 0 394.313 2.355 20 0 GEADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(=O)c3cc(Br)ccc3[nH]1)C2 ZINC000621699192 532366902 /nfs/dbraw/zinc/36/69/02/532366902.db2.gz OGSXBISLFGMGDP-DYZYQPBXSA-N 1 0 376.254 2.244 20 0 GEADRO CC(C)Cc1ncnc(NCC2CC[NH+](C)CC2)c1I ZINC000557570577 532367844 /nfs/dbraw/zinc/36/78/44/532367844.db2.gz OLVJISCBLLOFSX-UHFFFAOYSA-N 1 0 388.297 3.033 20 0 GEADRO O=C(CSCc1cc(-c2cccs2)on1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000590371020 532368600 /nfs/dbraw/zinc/36/86/00/532368600.db2.gz CMDKGGZCKWBCJV-CQSZACIVSA-N 1 0 381.523 2.209 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000294588817 532368864 /nfs/dbraw/zinc/36/88/64/532368864.db2.gz LHNFUTBVVNCCAP-UHFFFAOYSA-N 1 0 378.274 2.198 20 0 GEADRO O=c1c2cc(Br)ccc2ncn1CCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647154076 532369680 /nfs/dbraw/zinc/36/96/80/532369680.db2.gz SXISNTALCCCGFY-ZDUSSCGKSA-N 1 0 390.241 2.209 20 0 GEADRO O=C1COc2cc(Br)ccc2N1CCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647151499 532369760 /nfs/dbraw/zinc/36/97/60/532369760.db2.gz IAVRGYQXSNUYRN-NSHDSACASA-N 1 0 393.241 2.225 20 0 GEADRO O=c1c2cc(Br)ccc2ncn1Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647152482 532370312 /nfs/dbraw/zinc/37/03/12/532370312.db2.gz GSLASCSRCUQQMC-LBPRGKRZSA-N 1 0 376.214 2.015 20 0 GEADRO O=c1c2cc(Br)ccc2ncn1Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000647152481 532370334 /nfs/dbraw/zinc/37/03/34/532370334.db2.gz GSLASCSRCUQQMC-GFCCVEGCSA-N 1 0 376.214 2.015 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccccc1Br ZINC000515678338 532371087 /nfs/dbraw/zinc/37/10/87/532371087.db2.gz 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20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000279135376 532389606 /nfs/dbraw/zinc/38/96/06/532389606.db2.gz XNTHDEAJRIIXGP-UHFFFAOYSA-N 1 0 384.933 2.251 20 0 GEADRO C[NH+](C)C[C@@H](CNC(=O)CC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000558408859 532390503 /nfs/dbraw/zinc/39/05/03/532390503.db2.gz IKOBCYATIKFTPX-GFCCVEGCSA-N 1 0 379.810 2.170 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000516770948 532390876 /nfs/dbraw/zinc/39/08/76/532390876.db2.gz WHNVFQMCESKKMF-CHWSQXEVSA-N 1 0 396.329 2.397 20 0 GEADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000294915832 532391543 /nfs/dbraw/zinc/39/15/43/532391543.db2.gz YJJAPYOHTOKWFC-HZPDHXFCSA-N 1 0 390.343 2.300 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1COCCN1C ZINC000623926087 532391870 /nfs/dbraw/zinc/39/18/70/532391870.db2.gz YEVZCWZECNFBSU-AAEUAGOBSA-N 1 0 386.290 2.149 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(Cc2cccc(Br)c2F)CC1 ZINC000294970001 532392375 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C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000624011773 532394382 /nfs/dbraw/zinc/39/43/82/532394382.db2.gz IQMVXEJCMOIXFD-XHDPSFHLSA-N 1 0 382.810 2.442 20 0 GEADRO C[C@@H]1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C[C@H]1C[NH3+] ZINC000516855320 532394412 /nfs/dbraw/zinc/39/44/12/532394412.db2.gz GFSZHXHNQYNOOQ-VXGBXAGGSA-N 1 0 393.289 2.478 20 0 GEADRO COCC(C)(C)[NH+]1CCN(C(=O)C[C@H](C)n2cc(Br)cn2)CC1 ZINC000648425285 532395040 /nfs/dbraw/zinc/39/50/40/532395040.db2.gz DZSGSOWVQANVDH-ZDUSSCGKSA-N 1 0 387.322 2.166 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000372644920 532398008 /nfs/dbraw/zinc/39/80/08/532398008.db2.gz YZGIOMFWIUOUOZ-UHFFFAOYSA-N 1 0 381.318 2.375 20 0 GEADRO COc1cc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(Br)c1OC ZINC000516916207 532398060 /nfs/dbraw/zinc/39/80/60/532398060.db2.gz ZBUVIFHWFUSMKT-QWHCGFSZSA-N 1 0 398.301 2.217 20 0 GEADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000591081445 532398562 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CC(=O)N[C@H](CC(=O)NC1(C)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000193393743 532424618 /nfs/dbraw/zinc/42/46/18/532424618.db2.gz YNGQXAVPLIQKQN-OAHLLOKOSA-N 1 0 382.302 2.275 20 0 GEADRO CSC1(C(=O)Nc2cccc(S(=O)(=O)NCCCC[NH+](C)C)c2)CC1 ZINC000560812036 532425149 /nfs/dbraw/zinc/42/51/49/532425149.db2.gz PBHKQZGZUSKUFZ-UHFFFAOYSA-N 1 0 385.555 2.141 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000625420933 532426157 /nfs/dbraw/zinc/42/61/57/532426157.db2.gz JNOBPDFRHVMKTI-LBPRGKRZSA-N 1 0 381.420 2.033 20 0 GEADRO CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)s1 ZINC000373020655 532426927 /nfs/dbraw/zinc/42/69/27/532426927.db2.gz QGUJAXVQLVARBJ-OAHLLOKOSA-N 1 0 385.555 2.070 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000561003470 532426755 /nfs/dbraw/zinc/42/67/55/532426755.db2.gz JQWLOFBFVSPQHT-UHFFFAOYSA-N 1 0 382.180 2.132 20 0 GEADRO CC(=O)N1CCN(C(=O)C[N@H+](Cc2cccc(Br)c2)C(C)C)CC1 ZINC000517857797 532428248 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C[C@@H]1CC[C@@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)C[NH2+]1 ZINC000626962747 532446362 /nfs/dbraw/zinc/44/63/62/532446362.db2.gz TVEFATGEEVLXMT-IUODEOHRSA-N 1 0 397.317 2.009 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000626962575 532446502 /nfs/dbraw/zinc/44/65/02/532446502.db2.gz QSHKNTMNIBGAGO-LSDHHAIUSA-N 1 0 397.317 2.009 20 0 GEADRO Cc1noc(CCC[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)n1 ZINC000682436207 532447039 /nfs/dbraw/zinc/44/70/39/532447039.db2.gz LYMQIFRVYUVBDL-UHFFFAOYSA-N 1 0 376.408 2.393 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000626946088 532447202 /nfs/dbraw/zinc/44/72/02/532447202.db2.gz RJPJEAGQDSJQJA-HNNXBMFYSA-N 1 0 382.302 2.158 20 0 GEADRO CCN(CC[NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000626944463 532447562 /nfs/dbraw/zinc/44/75/62/532447562.db2.gz RIFFMLOFKMGANC-UHFFFAOYSA-N 1 0 384.318 2.488 20 0 GEADRO CSc1cc(Br)ccc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270239 532449157 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C[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295548292 532457279 /nfs/dbraw/zinc/45/72/79/532457279.db2.gz WVFGUKUSEBCFCM-HOTGVXAUSA-N 1 0 382.302 2.183 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000467723947 532452755 /nfs/dbraw/zinc/45/27/55/532452755.db2.gz MPGWAUOUSPBEPT-GFCCVEGCSA-N 1 0 382.302 2.168 20 0 GEADRO O=C(N[C@H]1CCc2cc(Br)ccc21)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467705970 532453085 /nfs/dbraw/zinc/45/30/85/532453085.db2.gz PNRBWKBJLZUAAY-IAYQEVDDSA-N 1 0 377.282 2.367 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC000428427259 532453195 /nfs/dbraw/zinc/45/31/95/532453195.db2.gz RCCKLHMVJUUQJZ-RYUDHWBXSA-N 1 0 380.539 2.456 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC000428427260 532453268 /nfs/dbraw/zinc/45/32/68/532453268.db2.gz RCCKLHMVJUUQJZ-VXGBXAGGSA-N 1 0 380.539 2.456 20 0 GEADRO Cc1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1I ZINC000467705334 532453362 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O=C(c1ncc(Br)s1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000683405551 532457890 /nfs/dbraw/zinc/45/78/90/532457890.db2.gz LRXOBYBXZYKRKK-UHFFFAOYSA-N 1 0 388.331 2.480 20 0 GEADRO CN(C[C@@H](O)C[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1)C1CC1 ZINC000519167415 532458286 /nfs/dbraw/zinc/45/82/86/532458286.db2.gz UPCYCNATFSWVRZ-IXDOHACOSA-N 1 0 397.313 2.004 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295588794 532460850 /nfs/dbraw/zinc/46/08/50/532460850.db2.gz WHXJXTXNHIVMGT-OAHLLOKOSA-N 1 0 384.318 2.092 20 0 GEADRO COc1ccc(I)c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000519349570 532461242 /nfs/dbraw/zinc/46/12/42/532461242.db2.gz OXZFPEZPTPHEDX-RNCFNFMXSA-N 1 0 387.221 2.125 20 0 GEADRO C[N@H+](CCCc1ccccc1Br)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428816211 532461467 /nfs/dbraw/zinc/46/14/67/532461467.db2.gz IFDAUMHEUPEMHZ-AWEZNQCLSA-N 1 0 375.332 2.347 20 0 GEADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000519417609 532464026 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C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000428966854 532466020 /nfs/dbraw/zinc/46/60/20/532466020.db2.gz LKZYJGORWBQPOQ-KBPBESRZSA-N 1 0 385.555 2.041 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000373733739 532466257 /nfs/dbraw/zinc/46/62/57/532466257.db2.gz ZCXYAGILRSXPOJ-HIFRSBDPSA-N 1 0 382.917 2.405 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683911521 532467281 /nfs/dbraw/zinc/46/72/81/532467281.db2.gz GBEQEFHCGPLLMU-DYVFJYSZSA-N 1 0 385.302 2.132 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000468486759 532466956 /nfs/dbraw/zinc/46/69/56/532466956.db2.gz FNBGREWOQYUKTQ-GFCCVEGCSA-N 1 0 386.290 2.009 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC[N@H+](C)C1 ZINC000592806653 532467072 /nfs/dbraw/zinc/46/70/72/532467072.db2.gz SNZHXZJKMHLURU-CZUORRHYSA-N 1 0 395.297 2.042 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3Br)C[C@H]2C1 ZINC000194915808 532463301 /nfs/dbraw/zinc/46/33/01/532463301.db2.gz LCOZUACVXKJZAL-AOOOYVTPSA-N 1 0 386.677 2.061 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC[N@H+](C)C1 ZINC000592806655 532467749 /nfs/dbraw/zinc/46/77/49/532467749.db2.gz SNZHXZJKMHLURU-XJKSGUPXSA-N 1 0 395.297 2.042 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 ZINC000428984836 532467766 /nfs/dbraw/zinc/46/77/66/532467766.db2.gz ITQAOMZCWXBVBF-NSHDSACASA-N 1 0 380.901 2.324 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)[C@H](C)CO ZINC000295656388 532467937 /nfs/dbraw/zinc/46/79/37/532467937.db2.gz DNXJSHNEUVIXAR-MXWKQRLJSA-N 1 0 376.238 2.225 20 0 GEADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1c(Cl)cnn1C ZINC000373778057 532468782 /nfs/dbraw/zinc/46/87/82/532468782.db2.gz QQDYVILSGCUOJF-XJKSGUPXSA-N 1 0 380.901 2.379 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000519554595 532469774 /nfs/dbraw/zinc/46/97/74/532469774.db2.gz QAVQQMIRNGWXDO-UHFFFAOYSA-N 1 0 387.933 2.181 20 0 GEADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000429063595 532470353 /nfs/dbraw/zinc/47/03/53/532470353.db2.gz XXKVHWMEJVZDND-MRXNPFEDSA-N 1 0 387.933 2.462 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC=C(Br)C1 ZINC000282482535 532470877 /nfs/dbraw/zinc/47/08/77/532470877.db2.gz WZMOJDUGUIRQHA-UHFFFAOYSA-N 1 0 379.302 2.105 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)c1cccs1 ZINC000195122130 532471680 /nfs/dbraw/zinc/47/16/80/532471680.db2.gz BFCATLUQPAFJFM-RYUDHWBXSA-N 1 0 379.507 2.024 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CSc2ccc(C(F)(F)F)cn2)C1 ZINC000684174841 532471826 /nfs/dbraw/zinc/47/18/26/532471826.db2.gz MQTGPBAOUTYKJA-HNNXBMFYSA-N 1 0 377.432 2.108 20 0 GEADRO CC[C@@H](C(=O)N1CCC(O)(c2scnc2Br)CC1)[NH+](C)C ZINC000373818800 532472279 /nfs/dbraw/zinc/47/22/79/532472279.db2.gz IKFXYUJLIXASTM-JTQLQIEISA-N 1 0 376.320 2.056 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000519654588 532472443 /nfs/dbraw/zinc/47/24/43/532472443.db2.gz QTFMSPIPAHEAGP-LBPRGKRZSA-N 1 0 390.285 2.373 20 0 GEADRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000282495301 532472545 /nfs/dbraw/zinc/47/25/45/532472545.db2.gz XUOXNSXVLTVXJW-IJSAXESFSA-N 1 0 385.338 2.203 20 0 GEADRO O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195248539 532472942 /nfs/dbraw/zinc/47/29/42/532472942.db2.gz FVGYBCGVKGVMFO-OZVIIMIRSA-N 1 0 382.291 2.276 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1Br ZINC000373885615 532476961 /nfs/dbraw/zinc/47/69/61/532476961.db2.gz LVYQCYODWFWDOA-NHYWBVRUSA-N 1 0 387.299 2.024 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000373904177 532478669 /nfs/dbraw/zinc/47/86/69/532478669.db2.gz GSPCMQDWUNGVNB-ZIAGYGMSSA-N 1 0 381.929 2.272 20 0 GEADRO Cn1cc(Br)c(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)n1 ZINC000519780545 532478851 /nfs/dbraw/zinc/47/88/51/532478851.db2.gz RXARJFKYBXDHHZ-GFCCVEGCSA-N 1 0 387.347 2.016 20 0 GEADRO Cn1cc(Br)c(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)n1 ZINC000519780593 532478962 /nfs/dbraw/zinc/47/89/62/532478962.db2.gz RXARJFKYBXDHHZ-LBPRGKRZSA-N 1 0 387.347 2.016 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c1 ZINC000373912949 532479008 /nfs/dbraw/zinc/47/90/08/532479008.db2.gz RMGSZJIEMHMEQU-RTCCRHLQSA-N 1 0 375.288 2.101 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccc(Br)cc1 ZINC000373900512 532479044 /nfs/dbraw/zinc/47/90/44/532479044.db2.gz ROKJRQOWLFUOKI-VNQPRFMTSA-N 1 0 394.313 2.356 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684611824 532479781 /nfs/dbraw/zinc/47/97/81/532479781.db2.gz NAMQUVCPZIIQHV-OAHLLOKOSA-N 1 0 387.933 2.348 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1Br ZINC000684633228 532479855 /nfs/dbraw/zinc/47/98/55/532479855.db2.gz DSEGZHSCRMGUKE-LBPRGKRZSA-N 1 0 398.276 2.436 20 0 GEADRO O=C(COc1ccc2cc(Br)ccc2c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629174406 532481198 /nfs/dbraw/zinc/48/11/98/532481198.db2.gz APMCJVAKXYWKFP-MRXNPFEDSA-N 1 0 393.281 2.164 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000429615519 532481268 /nfs/dbraw/zinc/48/12/68/532481268.db2.gz ZWDDMYABKNDFEB-CABCVRRESA-N 1 0 387.571 2.123 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000429597675 532481848 /nfs/dbraw/zinc/48/18/48/532481848.db2.gz NHAALIKRKGVMGR-HUUCEWRRSA-N 1 0 382.302 2.057 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1(c2cccc(Br)c2)CCCC1 ZINC000629177974 532482385 /nfs/dbraw/zinc/48/23/85/532482385.db2.gz ZAMILOIOPYLGMK-MRXNPFEDSA-N 1 0 381.314 2.444 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000651623500 532483275 /nfs/dbraw/zinc/48/32/75/532483275.db2.gz CDPKIQZBTXSHEQ-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO C[C@H](CC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000429932801 532483475 /nfs/dbraw/zinc/48/34/75/532483475.db2.gz VFMCZUKDTVPHDY-BZNIZROVSA-N 1 0 382.302 2.118 20 0 GEADRO Cc1cc(NC(=O)CC[NH+]2CCC(n3cc(Br)cn3)CC2)no1 ZINC000374011472 532484801 /nfs/dbraw/zinc/48/48/01/532484801.db2.gz YMHPIOWLWYZWNM-UHFFFAOYSA-N 1 0 382.262 2.608 20 0 GEADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429958874 532485722 /nfs/dbraw/zinc/48/57/22/532485722.db2.gz BOFHBLHMVCYVRF-CQSZACIVSA-N 1 0 380.290 2.901 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)c2c1OCCC2 ZINC000469031682 532486876 /nfs/dbraw/zinc/48/68/76/532486876.db2.gz PWTPUCFCUUNUAI-ZDUSSCGKSA-N 1 0 396.329 2.140 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]CC2(c3ccccc3Br)CC2)nn1 ZINC000295911059 532487042 /nfs/dbraw/zinc/48/70/42/532487042.db2.gz ZNTOCPMIORNEPL-UHFFFAOYSA-N 1 0 379.258 2.035 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)Cc3cc(Cl)ccc3Br)C[C@H]21 ZINC000629354778 532488325 /nfs/dbraw/zinc/48/83/25/532488325.db2.gz YNYOWHDMCNJKHG-IMRBUKKESA-N 1 0 393.734 2.424 20 0 GEADRO C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000469044214 532488589 /nfs/dbraw/zinc/48/85/89/532488589.db2.gz SPQYHJQMXUFRFB-CQSZACIVSA-N 1 0 380.286 2.333 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000684972824 532488943 /nfs/dbraw/zinc/48/89/43/532488943.db2.gz SYOHMLIQXVANTB-VQIMIIECSA-N 1 0 393.325 2.226 20 0 GEADRO O=C(COC1C[NH2+]C1)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000430082916 532489732 /nfs/dbraw/zinc/48/97/32/532489732.db2.gz FYLURGXROMQHLM-UHFFFAOYSA-N 1 0 387.234 2.034 20 0 GEADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651716441 532490231 /nfs/dbraw/zinc/49/02/31/532490231.db2.gz YEEYZIUDANCFGI-MWLCHTKSSA-N 1 0 387.354 2.272 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000651714434 532490384 /nfs/dbraw/zinc/49/03/84/532490384.db2.gz RELHAVUBXDOQGM-KRWDZBQOSA-N 1 0 395.301 2.035 20 0 GEADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430135339 532490544 /nfs/dbraw/zinc/49/05/44/532490544.db2.gz SXRRQDWNRCIRDD-CYBMUJFWSA-N 1 0 392.297 2.491 20 0 GEADRO CC(C)n1cncc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000562966279 532491150 /nfs/dbraw/zinc/49/11/50/532491150.db2.gz GFZXRQPNABPRMS-UHFFFAOYSA-N 1 0 380.290 3.070 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]C2(Cc3ccccc3Br)CC2)nn1 ZINC000296001094 532491408 /nfs/dbraw/zinc/49/14/08/532491408.db2.gz KXAMFUQLGRDKPK-UHFFFAOYSA-N 1 0 379.258 2.079 20 0 GEADRO CN(C)[C@@]1(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CCSC1 ZINC000562988936 532491943 /nfs/dbraw/zinc/49/19/43/532491943.db2.gz DMFCIFKKXJYSKS-GOEBONIOSA-N 1 0 378.460 2.472 20 0 GEADRO CCNC(=O)C1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCC1 ZINC000563003006 532492272 /nfs/dbraw/zinc/49/22/72/532492272.db2.gz NGWCXRGPVVJITE-CQSZACIVSA-N 1 0 385.302 2.085 20 0 GEADRO C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)CN1CC[NH+](C)CC1 ZINC000562993885 532492716 /nfs/dbraw/zinc/49/27/16/532492716.db2.gz QRQAVHIRVQYPIO-ZBFHGGJFSA-N 1 0 390.355 2.206 20 0 GEADRO O=C(NCCNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccc(Br)cc1 ZINC000236669195 532492876 /nfs/dbraw/zinc/49/28/76/532492876.db2.gz FNMCQOUGARLWSV-VNQPRFMTSA-N 1 0 394.313 2.216 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)s1 ZINC000651769372 532492906 /nfs/dbraw/zinc/49/29/06/532492906.db2.gz AJQSNKCTZWXICK-ZDUSSCGKSA-N 1 0 375.560 2.201 20 0 GEADRO COc1ccc(Cl)c(NC(=O)C(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000520464708 532493404 /nfs/dbraw/zinc/49/34/04/532493404.db2.gz MGBNFMIFUZINMN-UHFFFAOYSA-N 1 0 385.917 2.231 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236665484 532493566 /nfs/dbraw/zinc/49/35/66/532493566.db2.gz SAOPKABTHPQPDN-PBHICJAKSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000236679655 532493587 /nfs/dbraw/zinc/49/35/87/532493587.db2.gz VTFUWVXWLZQALS-GFCCVEGCSA-N 1 0 387.933 2.370 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N(C)Cc2cc(OC)ccc2Br)CC1 ZINC000430192880 532494298 /nfs/dbraw/zinc/49/42/98/532494298.db2.gz DPCSDIKQBFIYRX-UHFFFAOYSA-N 1 0 398.345 2.444 20 0 GEADRO O=C(COC1C[NH2+]C1)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000430201492 532494395 /nfs/dbraw/zinc/49/43/95/532494395.db2.gz JYNZOHOAQFRJLL-OAHLLOKOSA-N 1 0 386.279 2.301 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236714335 532494493 /nfs/dbraw/zinc/49/44/93/532494493.db2.gz YVKZZYWFAIZMCC-YOEHRIQHSA-N 1 0 396.329 2.160 20 0 GEADRO COC(=O)CCNC(=O)CN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296036418 532494977 /nfs/dbraw/zinc/49/49/77/532494977.db2.gz AEEFIJZBTOGFKG-UHFFFAOYSA-N 1 0 379.404 2.021 20 0 GEADRO O=C(CCC1CC[NH2+]CC1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000236713917 532494990 /nfs/dbraw/zinc/49/49/90/532494990.db2.gz KJGCWLZJWUPSNI-UHFFFAOYSA-N 1 0 381.318 2.273 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000236760648 532496208 /nfs/dbraw/zinc/49/62/08/532496208.db2.gz NQDKCWQXWKGPIR-QWRGUYRKSA-N 1 0 390.347 2.461 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000469200838 532496217 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TUWOLLPYFCSDOV-UHFFFAOYSA-N 1 0 376.238 2.128 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000296399539 532518952 /nfs/dbraw/zinc/51/89/52/532518952.db2.gz KMIGKKDKJIFWEW-CYBMUJFWSA-N 1 0 375.922 2.143 20 0 GEADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H]1C ZINC000469999027 532518999 /nfs/dbraw/zinc/51/89/99/532518999.db2.gz JYPFYPQFOZSCGH-WDBKCZKBSA-N 1 0 390.249 2.211 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3F)C2)C1 ZINC000652375452 532508074 /nfs/dbraw/zinc/50/80/74/532508074.db2.gz RCVQKWZBHNBZIM-BZPMIXESSA-N 1 0 376.881 2.386 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cnc4ccsc4c3)C2)C1 ZINC000652375268 532508435 /nfs/dbraw/zinc/50/84/35/532508435.db2.gz MPOFWZGGZJHEHY-IOASZLSFSA-N 1 0 381.523 2.203 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3F)C2)C1 ZINC000652375454 532508504 /nfs/dbraw/zinc/50/85/04/532508504.db2.gz RCVQKWZBHNBZIM-SCRDCRAPSA-N 1 0 376.881 2.386 20 0 GEADRO Cc1c(Br)cc(C(=O)NC2CCC(C[NH+](C)C)CC2)c(=O)n1C ZINC000469691807 532508728 /nfs/dbraw/zinc/50/87/28/532508728.db2.gz QGTIZWQWEVUJPU-UHFFFAOYSA-N 1 0 384.318 2.306 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)[C@H]1CC[NH3+] ZINC000652378367 532509163 /nfs/dbraw/zinc/50/91/63/532509163.db2.gz ICHJTXLXARVMOQ-NHYWBVRUSA-N 1 0 385.917 2.363 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1Cl ZINC000652376958 532509181 /nfs/dbraw/zinc/50/91/81/532509181.db2.gz OECANHOFIARBFM-DGCLKSJQSA-N 1 0 376.906 2.495 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000652379735 532509573 /nfs/dbraw/zinc/50/95/73/532509573.db2.gz ICWYUAPEFZJFTL-NOZJJQNGSA-N 1 0 386.823 2.343 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cnc3ccsc3c2)C1 ZINC000652383634 532509629 /nfs/dbraw/zinc/50/96/29/532509629.db2.gz BOKNYXRWLADXEH-KCXAZCMYSA-N 1 0 381.523 2.346 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1Cl ZINC000652376957 532509758 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Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(F)cc1I)C2 ZINC000594515305 532512588 /nfs/dbraw/zinc/51/25/88/532512588.db2.gz MVSWYVWHOFFFKQ-NSHDSACASA-N 1 0 386.212 2.206 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000237912266 532513421 /nfs/dbraw/zinc/51/34/21/532513421.db2.gz XPLDWIVSTSWROB-LYRGGWFBSA-N 1 0 384.307 2.410 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Br)C1 ZINC000237940022 532513452 /nfs/dbraw/zinc/51/34/52/532513452.db2.gz NAJCBQKXCAXKRS-JTQLQIEISA-N 1 0 388.693 2.030 20 0 GEADRO CC(C)(C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000563916341 532513671 /nfs/dbraw/zinc/51/36/71/532513671.db2.gz JWWCLJJIPYPJMX-SFHVURJKSA-N 1 0 381.314 2.300 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1F ZINC000594531706 532513993 /nfs/dbraw/zinc/51/39/93/532513993.db2.gz WZASVXQGIVRNOW-BIMULSAOSA-N 1 0 390.864 2.014 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000469859332 532514199 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Cn1ncc(Br)c1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000630402317 532516213 /nfs/dbraw/zinc/51/62/13/532516213.db2.gz DOSSADKRDPBWDX-CQSZACIVSA-N 1 0 396.289 2.412 20 0 GEADRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000238034825 532516383 /nfs/dbraw/zinc/51/63/83/532516383.db2.gz BZCBIRSKPDMPQR-HOCLYGCPSA-N 1 0 394.313 2.251 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2ccc(I)cc2)nn1)[C@H]1CCCO1 ZINC000594656902 532516871 /nfs/dbraw/zinc/51/68/71/532516871.db2.gz IVYYTVRADLSYHU-KGLIPLIRSA-N 1 0 384.221 2.110 20 0 GEADRO [NH3+][C@H](c1cn(Cc2ccccc2I)nn1)[C@H]1CCCO1 ZINC000594650914 532517389 /nfs/dbraw/zinc/51/73/89/532517389.db2.gz AYBPPGALWAXQOE-ZIAGYGMSSA-N 1 0 384.221 2.110 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC000238051177 532517510 /nfs/dbraw/zinc/51/75/10/532517510.db2.gz XMZVJCZXMITTGK-MRXNPFEDSA-N 1 0 394.313 2.155 20 0 GEADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000296384271 532517670 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C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCSc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000284300136 532585962 /nfs/dbraw/zinc/58/59/62/532585962.db2.gz UHPILRFQEVHWEO-DZGCQCFKSA-N 1 0 383.945 2.489 20 0 GEADRO CN(CC[N@H+](C)C1CC1)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000473124448 532586201 /nfs/dbraw/zinc/58/62/01/532586201.db2.gz UDMZUSMTKAWEJQ-UHFFFAOYSA-N 1 0 398.345 2.312 20 0 GEADRO CCOc1cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc(Br)c1O ZINC000297384487 532586181 /nfs/dbraw/zinc/58/61/81/532586181.db2.gz IWAMNZATUQIUIU-NSHDSACASA-N 1 0 392.315 2.468 20 0 GEADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000565999551 532586799 /nfs/dbraw/zinc/58/67/99/532586799.db2.gz HSZLVWSSAKCIJQ-GXTWGEPZSA-N 1 0 380.286 2.135 20 0 GEADRO Clc1cccc(-n2cc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)nn2)c1Cl ZINC000262182735 532586944 /nfs/dbraw/zinc/58/69/44/532586944.db2.gz WXVAMIKLSWGSDP-CQSZACIVSA-N 1 0 381.311 2.054 20 0 GEADRO O=C1C[C@]2(CC[N@@H+](Cc3cc4c(cc3Br)OCCCO4)C2)CN1 ZINC000375927777 532586996 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C[NH+](C)CCOCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473544904 532593984 /nfs/dbraw/zinc/59/39/84/532593984.db2.gz UPJUXHMBZAQFBT-CQSZACIVSA-N 1 0 389.327 2.450 20 0 GEADRO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376066247 532594280 /nfs/dbraw/zinc/59/42/80/532594280.db2.gz JFMOEIWQUORVDW-BRWVUGGUSA-N 1 0 378.314 2.059 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)C1=O ZINC000566137337 532594843 /nfs/dbraw/zinc/59/48/43/532594843.db2.gz KGGUDBAQXSJJIF-MGPQQGTHSA-N 1 0 381.929 2.316 20 0 GEADRO CN(C[C@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)C1CC1 ZINC000566118743 532594940 /nfs/dbraw/zinc/59/49/40/532594940.db2.gz GPWGTJVFPJFVTR-LJQANCHMSA-N 1 0 396.373 2.458 20 0 GEADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(Br)nn2C)cc1 ZINC000284455920 532594932 /nfs/dbraw/zinc/59/49/32/532594932.db2.gz SUJAXDNXQJHAJF-ZDUSSCGKSA-N 1 0 381.274 2.224 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000631972369 532570374 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O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631995031 532571795 /nfs/dbraw/zinc/57/17/95/532571795.db2.gz WUIGRBHAYRQWCK-SWLSCSKDSA-N 1 0 378.416 2.390 20 0 GEADRO Cc1csc([C@H](NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C(F)(F)F)n1 ZINC000297179934 532571829 /nfs/dbraw/zinc/57/18/29/532571829.db2.gz UDORYPZBUDOWBS-RYUDHWBXSA-N 1 0 380.436 2.201 20 0 GEADRO COC1(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]CC1 ZINC000565599592 532571974 /nfs/dbraw/zinc/57/19/74/532571974.db2.gz UTLZQIKZCJUIDF-UHFFFAOYSA-N 1 0 379.258 2.342 20 0 GEADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631993763 532572518 /nfs/dbraw/zinc/57/25/18/532572518.db2.gz YUVLHJALMZSTJL-ZYHUDNBSSA-N 1 0 377.279 2.351 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631993188 532572549 /nfs/dbraw/zinc/57/25/49/532572549.db2.gz LYLBKJFSAMDXNA-GWCFXTLKSA-N 1 0 377.279 2.351 20 0 GEADRO C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@H](C)C1 ZINC000251949241 532572551 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GEADRO C[NH+](C)CC1CN(C(=O)c2ccc3cc(I)ccc3n2)C1 ZINC000597705926 532624489 /nfs/dbraw/zinc/62/44/89/532624489.db2.gz LIBZMTQOPOJFCM-UHFFFAOYSA-N 1 0 395.244 2.473 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1CC(=O)Nc1cccc(Cl)c1Cl ZINC000436052159 532624594 /nfs/dbraw/zinc/62/45/94/532624594.db2.gz NIKLCQPDWPAEFZ-GFCCVEGCSA-N 1 0 387.311 2.251 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ncsc2Br)C1 ZINC000632544860 532624815 /nfs/dbraw/zinc/62/48/15/532624815.db2.gz ORGUHOTUAGMUGI-SNVBAGLBSA-N 1 0 396.376 2.445 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000436058612 532625095 /nfs/dbraw/zinc/62/50/95/532625095.db2.gz LCCJHBVDUHIOMV-CYBMUJFWSA-N 1 0 387.311 2.251 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000284860213 532626146 /nfs/dbraw/zinc/62/61/46/532626146.db2.gz UNMUFJHOJDDRBC-LBPRGKRZSA-N 1 0 397.317 2.409 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1c(F)ccc(Br)c1F ZINC000298129430 532627878 /nfs/dbraw/zinc/62/78/78/532627878.db2.gz 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Cc1ccc(CC(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000474947306 532633871 /nfs/dbraw/zinc/63/38/71/532633871.db2.gz WADGJELNDKBADD-MRXNPFEDSA-N 1 0 386.945 2.158 20 0 GEADRO C[C@H](O)CCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000475036697 532635635 /nfs/dbraw/zinc/63/56/35/532635635.db2.gz ZIRJVFJBZHEELR-AWEZNQCLSA-N 1 0 384.318 2.166 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000531832119 532636914 /nfs/dbraw/zinc/63/69/14/532636914.db2.gz IWMBKSIHKVECBE-CQSZACIVSA-N 1 0 398.349 2.406 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)C(F)F ZINC000567030684 532637326 /nfs/dbraw/zinc/63/73/26/532637326.db2.gz RPIRMLQTEKHKLO-SECBINFHSA-N 1 0 389.756 2.447 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000567087210 532640166 /nfs/dbraw/zinc/64/01/66/532640166.db2.gz KRLDOICNYSWPEP-CYBMUJFWSA-N 1 0 393.347 2.478 20 0 GEADRO CC[NH2+]CCCNC(=O)Nc1ccc(OC)cc1I ZINC000567094609 532640538 /nfs/dbraw/zinc/64/05/38/532640538.db2.gz MHIDGCNAVIVTHK-UHFFFAOYSA-N 1 0 377.226 2.421 20 0 GEADRO Cn1nnc2cc(C[NH2+]C[C@@H](O)COc3ccccc3Br)ccc21 ZINC000531956937 532641028 /nfs/dbraw/zinc/64/10/28/532641028.db2.gz BOAZYQWTKXATSZ-CYBMUJFWSA-N 1 0 391.269 2.260 20 0 GEADRO [NH3+]CCC1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000567119904 532641718 /nfs/dbraw/zinc/64/17/18/532641718.db2.gz UPSFCVMVXWVGGE-AWEZNQCLSA-N 1 0 394.313 2.389 20 0 GEADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ncccc1Br)C(C)(C)C ZINC000656904804 532642213 /nfs/dbraw/zinc/64/22/13/532642213.db2.gz LQLWKMBCTMXHJH-LBPRGKRZSA-N 1 0 378.336 2.489 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000285057199 532642564 /nfs/dbraw/zinc/64/25/64/532642564.db2.gz VVVRTRYVBBEQPH-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1 ZINC000263839854 532644028 /nfs/dbraw/zinc/64/40/28/532644028.db2.gz RMHZZOSRLDVGPY-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO O=c1c2cc(F)cc(I)c2ncn1CC1CC[NH2+]CC1 ZINC000567232278 532645159 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C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000638159249 532683966 /nfs/dbraw/zinc/68/39/66/532683966.db2.gz WLMLSKVBLIOWLQ-DUVNUKRYSA-N 1 0 394.313 2.136 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638177671 532684450 /nfs/dbraw/zinc/68/44/50/532684450.db2.gz LQUWXSNSDVLZTF-UHOFOFEASA-N 1 0 394.313 2.054 20 0 GEADRO CN(C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1)S(C)(=O)=O ZINC000285480085 532685264 /nfs/dbraw/zinc/68/52/64/532685264.db2.gz CRBDHTZAWVYYBR-CQSZACIVSA-N 1 0 387.933 2.272 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1sc2ncccc2c1Cl ZINC000638211284 532685727 /nfs/dbraw/zinc/68/57/27/532685727.db2.gz UAUJDAIILHEZEJ-LLVKDONJSA-N 1 0 380.901 2.409 20 0 GEADRO COC(=O)CC1([NH2+]Cc2ccc(Br)s2)CCS(=O)(=O)CC1 ZINC000439258369 532686029 /nfs/dbraw/zinc/68/60/29/532686029.db2.gz HQEKWZRAIBMWKG-UHFFFAOYSA-N 1 0 396.328 2.111 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCOc1ccccc1Br ZINC000567899484 532670069 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CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000483231623 532673984 /nfs/dbraw/zinc/67/39/84/532673984.db2.gz OAQWNVBQHLJOHF-BXUZGUMPSA-N 1 0 381.325 2.288 20 0 GEADRO CC[NH+](CC)CC(=O)N[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000600356816 532674315 /nfs/dbraw/zinc/67/43/15/532674315.db2.gz NNRNZOZJBMXHNA-SFHVURJKSA-N 1 0 397.313 2.308 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)CN1CC[NH+](C)CC1 ZINC000298783328 532674329 /nfs/dbraw/zinc/67/43/29/532674329.db2.gz AHSPDOZDTDIQQY-GFCCVEGCSA-N 1 0 380.341 2.155 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC000298804786 532675022 /nfs/dbraw/zinc/67/50/22/532675022.db2.gz HPFUJXDRXNSMAX-UHFFFAOYSA-N 1 0 380.341 2.218 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000298797534 532675653 /nfs/dbraw/zinc/67/56/53/532675653.db2.gz FFPFWHSDXVRYRY-UHFFFAOYSA-N 1 0 385.555 2.023 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000378007687 532675709 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CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)[C@@H](C)C1 ZINC000266214938 532708462 /nfs/dbraw/zinc/70/84/62/532708462.db2.gz RCTVLURAUMMKTB-SWLSCSKDSA-N 1 0 388.917 2.477 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC[N@@H+](C2CC2)C1 ZINC000299305331 532709655 /nfs/dbraw/zinc/70/96/55/532709655.db2.gz NCGDFLXZIWRKKH-SNVBAGLBSA-N 1 0 385.295 2.457 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000285798469 532709828 /nfs/dbraw/zinc/70/98/28/532709828.db2.gz QAJDIFMYEPLSLU-WMLDXEAASA-N 1 0 396.329 2.033 20 0 GEADRO C[S@@](=O)C1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCC1 ZINC000393700100 532710090 /nfs/dbraw/zinc/71/00/90/532710090.db2.gz REDFGGSMZZCWQG-LRTDBIEQSA-N 1 0 376.316 2.080 20 0 GEADRO [NH3+]CCCNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000440348000 532710121 /nfs/dbraw/zinc/71/01/21/532710121.db2.gz WJCCTXHVGDWAKK-UHFFFAOYSA-N 1 0 376.301 2.200 20 0 GEADRO C[S@](=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCC1 ZINC000393696971 532710273 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C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000538538032 532712968 /nfs/dbraw/zinc/71/29/68/532712968.db2.gz ZYABJNLJTCVESQ-UHFFFAOYSA-N 1 0 389.949 2.059 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000440413466 532713063 /nfs/dbraw/zinc/71/30/63/532713063.db2.gz XCQBDUYQWPKVGR-NEPJUHHUSA-N 1 0 389.315 2.281 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000440417171 532713325 /nfs/dbraw/zinc/71/33/25/532713325.db2.gz XKAHEOKIFZGVTD-ZYHUDNBSSA-N 1 0 377.304 2.124 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1Br ZINC000494172780 532713781 /nfs/dbraw/zinc/71/37/81/532713781.db2.gz YGPOJODEXOSBDN-MNOVXSKESA-N 1 0 383.290 2.365 20 0 GEADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000440440309 532714510 /nfs/dbraw/zinc/71/45/10/532714510.db2.gz PJEPNFAMUZTBJT-UHFFFAOYSA-N 1 0 377.304 2.139 20 0 GEADRO O=C(/C=C/c1cc(Br)ccc1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000285866182 532714743 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C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nccn2c(Br)cnc12 ZINC000285893644 532717301 /nfs/dbraw/zinc/71/73/01/532717301.db2.gz RMQNJPKZLCQLAY-VXGBXAGGSA-N 1 0 378.274 2.191 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670495218 532717706 /nfs/dbraw/zinc/71/77/06/532717706.db2.gz ANBCDCACXJCEAL-BDJLRTHQSA-N 1 0 384.307 2.251 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccccc1Br ZINC000670851940 532720255 /nfs/dbraw/zinc/72/02/55/532720255.db2.gz ZCMFCOXVLXUKDV-KGLIPLIRSA-N 1 0 396.329 2.302 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000299501263 532721433 /nfs/dbraw/zinc/72/14/33/532721433.db2.gz HZMYTWZUGGUCEY-AWEZNQCLSA-N 1 0 395.301 2.115 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCc1ccsc1Br)C(C)(C)C[NH+](C)C ZINC000497344574 532721961 /nfs/dbraw/zinc/72/19/61/532721961.db2.gz KBXNVMFHMHEUGC-SNVBAGLBSA-N 1 0 390.347 2.219 20 0 GEADRO C[NH+](C)CCCCNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000299510004 532722558 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O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1c(F)cccc1OC(F)(F)F ZINC000672384453 532725342 /nfs/dbraw/zinc/72/53/42/532725342.db2.gz UMSCKQXUCVTPHJ-NSHDSACASA-N 1 0 382.379 2.487 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000299545633 532726032 /nfs/dbraw/zinc/72/60/32/532726032.db2.gz ASZZCYAMFIGOGF-DZGCQCFKSA-N 1 0 396.285 2.139 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)Cc3cccc(Br)c3)CC2)CC1 ZINC000299558583 532726397 /nfs/dbraw/zinc/72/63/97/532726397.db2.gz ABAPSYPMMPFYSI-UHFFFAOYSA-N 1 0 394.357 2.478 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000299543621 532726480 /nfs/dbraw/zinc/72/64/80/532726480.db2.gz APFZJKVJRVRFBQ-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000441772317 532726724 /nfs/dbraw/zinc/72/67/24/532726724.db2.gz DHMBBVRZQNPOQQ-VXGBXAGGSA-N 1 0 384.249 2.270 20 0 GEADRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc(=O)[nH]n1 ZINC000286087277 532726879 /nfs/dbraw/zinc/72/68/79/532726879.db2.gz MPANOAPVIJWXAT-LBPRGKRZSA-N 1 0 393.285 2.232 20 0 GEADRO COc1ccc(CNCCS(=O)(=O)c2cccc(Br)c2)cn1 ZINC000576220267 532727290 /nfs/dbraw/zinc/72/72/90/532727290.db2.gz JVPOZIHYCMKZJL-UHFFFAOYSA-N 1 0 385.283 2.416 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000266935719 532729688 /nfs/dbraw/zinc/72/96/88/532729688.db2.gz IRPNYWSPKDLDLU-KGLIPLIRSA-N 1 0 396.285 2.139 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000266974087 532730679 /nfs/dbraw/zinc/73/06/79/532730679.db2.gz UZIFNWPYYDXEOT-UHFFFAOYSA-N 1 0 380.432 2.272 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000539436142 532730815 /nfs/dbraw/zinc/73/08/15/532730815.db2.gz MROVPAQPEOTAKM-NSHDSACASA-N 1 0 375.441 2.491 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1Cl)C(C)(C)C ZINC000539425183 532731046 /nfs/dbraw/zinc/73/10/46/532731046.db2.gz QWNSVLXNLWDAJB-AWEZNQCLSA-N 1 0 375.922 2.084 20 0 GEADRO Cc1ccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Br)c1 ZINC000286145586 532731170 /nfs/dbraw/zinc/73/11/70/532731170.db2.gz PRERHSSEXVUPLQ-CYBMUJFWSA-N 1 0 394.235 2.323 20 0 GEADRO NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000266418348 532718701 /nfs/dbraw/zinc/71/87/01/532718701.db2.gz RPUDUCKTGKPIDN-LBPRGKRZSA-N 1 0 377.432 2.417 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)C[C@@H]1[NH+]1CCCC1 ZINC000408445558 532719052 /nfs/dbraw/zinc/71/90/52/532719052.db2.gz YHQIAUWCJZCDEU-WDEREUQCSA-N 1 0 395.344 2.242 20 0 GEADRO CN(CC[NH+](C)C)C(=O)CCC(=O)c1ccc(I)cc1 ZINC000443212181 532742229 /nfs/dbraw/zinc/74/22/29/532742229.db2.gz DJBFZDFFQLQBIZ-UHFFFAOYSA-N 1 0 388.249 2.274 20 0 GEADRO Cc1ccsc1S(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000443231822 532742940 /nfs/dbraw/zinc/74/29/40/532742940.db2.gz QXNIKMADKCVNJQ-UHFFFAOYSA-N 1 0 380.535 2.492 20 0 GEADRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCO1 ZINC000540707757 532743435 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Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1csc(S(N)(=O)=O)c1)[NH+](C)C ZINC000443406648 532747023 /nfs/dbraw/zinc/74/70/23/532747023.db2.gz MXJCYTXRCKVWIH-WBMJQRKESA-N 1 0 381.523 2.125 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCCn1cc(Br)cn1 ZINC000503375927 532747593 /nfs/dbraw/zinc/74/75/93/532747593.db2.gz XMIANGSVUPCOIP-CQSZACIVSA-N 1 0 386.338 2.455 20 0 GEADRO CN1CCC[C@H]([N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000539808819 532733157 /nfs/dbraw/zinc/73/31/57/532733157.db2.gz XZEOQXITMXVFPF-OCCSQVGLSA-N 1 0 395.301 2.115 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2OC)C1 ZINC000673824482 532733168 /nfs/dbraw/zinc/73/31/68/532733168.db2.gz MHORIRTWVHGHCX-OAHLLOKOSA-N 1 0 390.933 2.470 20 0 GEADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000286205495 532733535 /nfs/dbraw/zinc/73/35/35/532733535.db2.gz QHIHJQAXVIBYDA-VYDXJSESSA-N 1 0 384.567 2.432 20 0 GEADRO Cc1cnc(N)c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000500678034 532733509 /nfs/dbraw/zinc/73/35/09/532733509.db2.gz KMKYXWPLEZNRJG-UHFFFAOYSA-N 1 0 382.917 2.378 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)NCc1ccsc1Br)C1CCCC1 ZINC000286198314 532733699 /nfs/dbraw/zinc/73/36/99/532733699.db2.gz AWBWUWWSBAIXLN-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000286213910 532733853 /nfs/dbraw/zinc/73/38/53/532733853.db2.gz CQOBAPZQVMDSCD-RYUDHWBXSA-N 1 0 377.432 2.416 20 0 GEADRO Brc1ccc2nc(CN3CC[NH+](C4CCOCC4)CC3)cn2c1 ZINC000673857403 532734022 /nfs/dbraw/zinc/73/40/22/532734022.db2.gz LZRBAFHYUOQVED-UHFFFAOYSA-N 1 0 379.302 2.393 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)NCCNc2ncc(Cl)cc2Cl)cn1 ZINC000673869114 532734336 /nfs/dbraw/zinc/73/43/36/532734336.db2.gz LLOXOKTWEYOVFU-UHFFFAOYSA-N 1 0 386.287 2.380 20 0 GEADRO CC(C)(CO)[NH+]1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000673896617 532734541 /nfs/dbraw/zinc/73/45/41/532734541.db2.gz YFIAQJJBEWZJMG-UHFFFAOYSA-N 1 0 384.318 2.166 20 0 GEADRO CN(CCS(=O)(=O)c1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442764764 532734556 /nfs/dbraw/zinc/73/45/56/532734556.db2.gz GOOXZUWKVHGDKQ-YIONKMFJSA-N 1 0 387.343 2.438 20 0 GEADRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)Nc1ccc(I)cc1 ZINC000286231401 532735139 /nfs/dbraw/zinc/73/51/39/532735139.db2.gz RJEPQMMBVOWJGT-FZMZJTMJSA-N 1 0 388.249 2.370 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000267150550 532735358 /nfs/dbraw/zinc/73/53/58/532735358.db2.gz NFIFOPGUDJEOMG-KBPBESRZSA-N 1 0 387.571 2.144 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000578486137 532736265 /nfs/dbraw/zinc/73/62/65/532736265.db2.gz PZYZTJFRAUGMKN-CYBMUJFWSA-N 1 0 397.317 2.407 20 0 GEADRO COC(=O)[C@]1(C(F)(F)F)CCN(CCS(=O)(=O)Cc2ccccc2)C1 ZINC000286258154 532736501 /nfs/dbraw/zinc/73/65/01/532736501.db2.gz AWHZCCKZUMRSHN-HNNXBMFYSA-N 1 0 379.400 2.029 20 0 GEADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000578506163 532737356 /nfs/dbraw/zinc/73/73/56/532737356.db2.gz OSLWPPQKJDNGHT-CYBMUJFWSA-N 1 0 387.311 2.061 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1nc2ccccc2cc1Br ZINC000614506766 532738469 /nfs/dbraw/zinc/73/84/69/532738469.db2.gz ZWLBVPUYYZGMOH-AWEZNQCLSA-N 1 0 389.297 2.117 20 0 GEADRO C[C@@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000300175652 532738753 /nfs/dbraw/zinc/73/87/53/532738753.db2.gz GIEHPVNZKDLFBF-OCCSQVGLSA-N 1 0 375.332 2.282 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)cc1Cl ZINC000286294471 532738898 /nfs/dbraw/zinc/73/88/98/532738898.db2.gz HRGHAZPPTULKGG-KBPBESRZSA-N 1 0 388.917 2.222 20 0 GEADRO COC(=O)CC[N@@H+]1CCN(CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000540421981 532739323 /nfs/dbraw/zinc/73/93/23/532739323.db2.gz NKGBDBKYOHWYAZ-AWEZNQCLSA-N 1 0 385.302 2.397 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(F)c(Br)c(Cl)c1 ZINC000614505679 532739355 /nfs/dbraw/zinc/73/93/55/532739355.db2.gz RMAPCIILFSFSHJ-LLVKDONJSA-N 1 0 390.684 2.361 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000267355886 532740910 /nfs/dbraw/zinc/74/09/10/532740910.db2.gz ROGWSGXOHPHGNZ-KRWDZBQOSA-N 1 0 385.917 2.231 20 0 GEADRO O=C(NCCn1cc(Br)cn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000286557401 532754213 /nfs/dbraw/zinc/75/42/13/532754213.db2.gz DOZFMCKAFSSWKW-UHFFFAOYSA-N 1 0 384.322 2.352 20 0 GEADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc[nH]c(=O)c1Br ZINC000446151215 532754540 /nfs/dbraw/zinc/75/45/40/532754540.db2.gz HUDWFECBLXCWHA-UHFFFAOYSA-N 1 0 391.269 2.339 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c(Br)c1 ZINC000446162782 532755379 /nfs/dbraw/zinc/75/53/79/532755379.db2.gz UXXMFJPCFGGKMF-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO CCCCN(CCCC)S(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000446934881 532756344 /nfs/dbraw/zinc/75/63/44/532756344.db2.gz WVIFZARPWIBMQI-KZNAEPCWSA-N 1 0 375.579 2.317 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000581507299 532756679 /nfs/dbraw/zinc/75/66/79/532756679.db2.gz JXBXYEKUDAEALN-UHFFFAOYSA-N 1 0 377.819 2.333 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccn2c(I)cnc12 ZINC000268175890 532756836 /nfs/dbraw/zinc/75/68/36/532756836.db2.gz QHBVXECGPAZGNP-LLVKDONJSA-N 1 0 398.248 2.105 20 0 GEADRO CC[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000581511334 532756850 /nfs/dbraw/zinc/75/68/50/532756850.db2.gz IKXXTNVJSPOEOA-JTQLQIEISA-N 1 0 380.436 2.139 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCCn1cc(Br)cn1)c1ccsc1 ZINC000286696001 532763270 /nfs/dbraw/zinc/76/32/70/532763270.db2.gz TVJCNFIZNSUDKJ-ZDUSSCGKSA-N 1 0 386.319 2.309 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N(CC[NH+](C)C)Cc1ccccn1 ZINC000301733585 532758732 /nfs/dbraw/zinc/75/87/32/532758732.db2.gz GAQCXRRSMYZJBA-UHFFFAOYSA-N 1 0 390.289 2.089 20 0 GEADRO CN(Cc1nccs1)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000581907623 532758933 /nfs/dbraw/zinc/75/89/33/532758933.db2.gz YANJCUINXLHVPZ-AWEZNQCLSA-N 1 0 380.901 2.174 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)[NH+]1CCCC1 ZINC000541865717 532760106 /nfs/dbraw/zinc/76/01/06/532760106.db2.gz HDFAOVUYIKIPCY-SNVBAGLBSA-N 1 0 375.803 2.480 20 0 GEADRO C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000411396234 532760651 /nfs/dbraw/zinc/76/06/51/532760651.db2.gz WPAVJCFVUJZPFG-ZDUSSCGKSA-N 1 0 377.794 2.224 20 0 GEADRO O[C@H](CNC[C@H](O)COc1c(Cl)cccc1Cl)C[NH+]1CCCCC1 ZINC000582606049 532761003 /nfs/dbraw/zinc/76/10/03/532761003.db2.gz GQVYIDCQAGGUDB-KGLIPLIRSA-N 1 0 377.312 2.170 20 0 GEADRO Cc1ccc(CC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1 ZINC000620477541 532763375 /nfs/dbraw/zinc/76/33/75/532763375.db2.gz KFIUXHMIOZBROL-INIZCTEOSA-N 1 0 381.314 2.358 20 0 GEADRO Cc1c(Br)cccc1CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000508318843 532761893 /nfs/dbraw/zinc/76/18/93/532761893.db2.gz VOWNYZKVOYZJJY-UHFFFAOYSA-N 1 0 382.346 2.442 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000582796820 532761918 /nfs/dbraw/zinc/76/19/18/532761918.db2.gz IIUKHHAMAPJHIH-JTQLQIEISA-N 1 0 395.294 2.359 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCCn2cc(Br)cn2)[C@@H]1c1ccccc1 ZINC000286682784 532761980 /nfs/dbraw/zinc/76/19/80/532761980.db2.gz KGHKFTRFXCXKHX-HOTGVXAUSA-N 1 0 392.301 2.390 20 0 GEADRO O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620477789 532763438 /nfs/dbraw/zinc/76/34/38/532763438.db2.gz NWSOHMZTTMKJGE-ZDUSSCGKSA-N 1 0 383.279 2.312 20 0 GEADRO Cn1c(Sc2ccc(S(=O)(=O)C(F)F)cc2)nnc1[C@H]1CCC[NH2+]C1 ZINC000301964559 532762350 /nfs/dbraw/zinc/76/23/50/532762350.db2.gz UAMLHSQELAGRPG-JTQLQIEISA-N 1 0 388.465 2.430 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620475473 532762740 /nfs/dbraw/zinc/76/27/40/532762740.db2.gz PUJYOQINFCHXNK-AWEZNQCLSA-N 1 0 397.313 2.437 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620483080 532762997 /nfs/dbraw/zinc/76/29/97/532762997.db2.gz XZMPSQJXPBOULP-INIZCTEOSA-N 1 0 397.313 2.058 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[N@@H+]1C ZINC000443719209 532749590 /nfs/dbraw/zinc/74/95/90/532749590.db2.gz BPYDMOHTDKVLIQ-SCZZXKLOSA-N 1 0 390.228 2.265 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cncc(Br)c2C)CC1 ZINC000616125274 532749787 /nfs/dbraw/zinc/74/97/87/532749787.db2.gz SIVQHTNZTAAKBH-UHFFFAOYSA-N 1 0 383.334 2.298 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(F)c1Br ZINC000411256588 532751479 /nfs/dbraw/zinc/75/14/79/532751479.db2.gz RCPJDHRRGBQQAD-GHMZBOCLSA-N 1 0 386.265 2.434 20 0 GEADRO CCOC[C@H](O)C[NH2+]Cc1cc(Cl)c(I)cc1OC ZINC000581007089 532752995 /nfs/dbraw/zinc/75/29/95/532752995.db2.gz FEXOJWZNYNGVNG-SNVBAGLBSA-N 1 0 399.656 2.440 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@H]1[NH+]1CCCC1 ZINC000445750178 532753039 /nfs/dbraw/zinc/75/30/39/532753039.db2.gz JEFBHFMTMYVPQU-FDQGKXFDSA-N 1 0 382.551 2.210 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286529328 532753485 /nfs/dbraw/zinc/75/34/85/532753485.db2.gz BMBALLDNXRJULB-DOMZBBRYSA-N 1 0 386.901 2.374 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286926602 532775681 /nfs/dbraw/zinc/77/56/81/532775681.db2.gz PLFIYUFJHFAHOC-UHFFFAOYSA-N 1 0 383.436 2.079 20 0 GEADRO [NH3+]CC[C@H](NC(=O)c1csc(I)c1)C(F)(F)F ZINC000307775827 532776326 /nfs/dbraw/zinc/77/63/26/532776326.db2.gz NFSAHXFYZZKBMC-LURJTMIESA-N 1 0 378.157 2.362 20 0 GEADRO CC(C)(C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000269164142 532776393 /nfs/dbraw/zinc/77/63/93/532776393.db2.gz BTNXZCPKJZIWHR-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512187297 532776531 /nfs/dbraw/zinc/77/65/31/532776531.db2.gz PGSYQHIWGOTWKJ-CQSZACIVSA-N 1 0 377.268 2.028 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000269240607 532777180 /nfs/dbraw/zinc/77/71/80/532777180.db2.gz XOSMBXPDTAXVAE-SUMWQHHRSA-N 1 0 386.323 2.483 20 0 GEADRO [NH3+]CCCNC(=O)c1ccc(I)c(Br)c1 ZINC000309645225 532777572 /nfs/dbraw/zinc/77/75/72/532777572.db2.gz VSZOBABTGMHXPT-UHFFFAOYSA-N 1 0 383.027 2.132 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000269249256 532777606 /nfs/dbraw/zinc/77/76/06/532777606.db2.gz FQRQIBYEXCQPCO-LHSJRXKWSA-N 1 0 375.332 2.436 20 0 GEADRO Cc1nn(C)cc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000512879395 532779081 /nfs/dbraw/zinc/77/90/81/532779081.db2.gz CZGWEGGAYYGGKP-UHFFFAOYSA-N 1 0 377.297 2.103 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(I)c(O)c1 ZINC000311771447 532779220 /nfs/dbraw/zinc/77/92/20/532779220.db2.gz VZNGXDLERIFYPR-JTQLQIEISA-N 1 0 376.238 2.455 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cccc(C)c1Br ZINC000542757266 532779236 /nfs/dbraw/zinc/77/92/36/532779236.db2.gz GYYAJZRCUOXYKA-UHFFFAOYSA-N 1 0 393.347 2.394 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(Br)cc2OC)C1 ZINC000542081949 532763712 /nfs/dbraw/zinc/76/37/12/532763712.db2.gz MFQGCNBBZXBROV-OAHLLOKOSA-N 1 0 385.302 2.227 20 0 GEADRO O=C(CCc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620490316 532764333 /nfs/dbraw/zinc/76/43/33/532764333.db2.gz XXPBMIDMRMZZDK-KRWDZBQOSA-N 1 0 381.314 2.439 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000455306502 532779621 /nfs/dbraw/zinc/77/96/21/532779621.db2.gz MEFLTPIHVSJKHT-UHFFFAOYSA-N 1 0 381.278 2.492 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)sc2Br)CCCO1 ZINC000313388898 532779645 /nfs/dbraw/zinc/77/96/45/532779645.db2.gz UDHABBKWRNMIHU-ZETCQYMHSA-N 1 0 398.120 2.463 20 0 GEADRO Cc1[nH+]ccc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1Cl ZINC000509038333 532766655 /nfs/dbraw/zinc/76/66/55/532766655.db2.gz MMLJUEPZNPYZRX-UHFFFAOYSA-N 1 0 375.885 2.435 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)COC(C)C)C2=O)ccc1Br ZINC000583748584 532766764 /nfs/dbraw/zinc/76/67/64/532766764.db2.gz MUXBHAFIQLOTAU-GOEBONIOSA-N 1 0 385.302 2.238 20 0 GEADRO CN(Cc1nc(-c2cccs2)no1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000286746811 532766779 /nfs/dbraw/zinc/76/67/79/532766779.db2.gz QUNBEBRFQXOKLV-MRXNPFEDSA-N 1 0 381.527 2.377 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000584529101 532769003 /nfs/dbraw/zinc/76/90/03/532769003.db2.gz OVKUGJVLWRKQQI-SNVBAGLBSA-N 1 0 383.297 2.130 20 0 GEADRO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286873175 532773529 /nfs/dbraw/zinc/77/35/29/532773529.db2.gz ZDNWCIGWJZPVMN-GFCCVEGCSA-N 1 0 395.276 2.189 20 0 GEADRO COC[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)C(C)C ZINC000542526995 532774099 /nfs/dbraw/zinc/77/40/99/532774099.db2.gz XXCIJTKWTKAPFE-CYBMUJFWSA-N 1 0 376.238 2.490 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC([NH2+]C)CC1 ZINC000315139092 532782049 /nfs/dbraw/zinc/78/20/49/532782049.db2.gz VQCAGNAGRJMUCY-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456489552 532782094 /nfs/dbraw/zinc/78/20/94/532782094.db2.gz OXBNCNYSPLSBKA-JMSVASOKSA-N 1 0 387.293 2.053 20 0 GEADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000411982099 532782665 /nfs/dbraw/zinc/78/26/65/532782665.db2.gz JKOXFFPLUGBXEC-ZWNOBZJWSA-N 1 0 378.803 2.257 20 0 GEADRO CSc1ccccc1OC[C@H](O)C[N@H+](C[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000411991721 532782932 /nfs/dbraw/zinc/78/29/32/532782932.db2.gz XXEGNLSHKPNKAK-HZPDHXFCSA-N 1 0 387.567 2.293 20 0 GEADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000269586581 532783669 /nfs/dbraw/zinc/78/36/69/532783669.db2.gz LUVGFBBLCCZLTG-AWEZNQCLSA-N 1 0 385.295 2.147 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cncc(I)c1 ZINC000287161536 532784750 /nfs/dbraw/zinc/78/47/50/532784750.db2.gz NTWJAPASVDXGSH-RISCZKNCSA-N 1 0 385.249 2.385 20 0 GEADRO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1 ZINC000269618640 532784746 /nfs/dbraw/zinc/78/47/46/532784746.db2.gz DIXPUOFDYVPEJW-CQSZACIVSA-N 1 0 385.555 2.107 20 0 GEADRO CNC(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000412055292 532784743 /nfs/dbraw/zinc/78/47/43/532784743.db2.gz OTMSBYJCAXFMML-CYBMUJFWSA-N 1 0 376.284 2.127 20 0 GEADRO OC[C@@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@@H]1O ZINC000412095071 532785664 /nfs/dbraw/zinc/78/56/64/532785664.db2.gz FHRXGFOPURHVBB-BBRMVZONSA-N 1 0 378.270 2.081 20 0 GEADRO COC(=O)[C@H]1CSCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000412084506 532785895 /nfs/dbraw/zinc/78/58/95/532785895.db2.gz TVKXRMDWXOEPKY-UKRRQHHQSA-N 1 0 377.428 2.447 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000319894496 532786302 /nfs/dbraw/zinc/78/63/02/532786302.db2.gz BIBOZIRWYAWWEL-UHFFFAOYSA-N 1 0 399.266 2.115 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000269703941 532787115 /nfs/dbraw/zinc/78/71/15/532787115.db2.gz KINCIFLIHVVTGB-UHFFFAOYSA-N 1 0 384.278 2.142 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000412280153 532787658 /nfs/dbraw/zinc/78/76/58/532787658.db2.gz LUFOSPQLWWQCIK-UHFFFAOYSA-N 1 0 385.249 2.253 20 0 GEADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cccc(-n2cnnn2)c1 ZINC000323368457 532788064 /nfs/dbraw/zinc/78/80/64/532788064.db2.gz ZDRKWAPJRBVVOK-GFCCVEGCSA-N 1 0 376.262 2.362 20 0 GEADRO COc1c(Br)cc(C[NH2+][C@@H]2COC[C@H]2O)cc1Br ZINC000323467296 532788086 /nfs/dbraw/zinc/78/80/86/532788086.db2.gz WWRWIINIDIFSLW-GHMZBOCLSA-N 1 0 381.064 2.070 20 0 GEADRO CCCc1c(C(=O)NCC[NH+](C)C)nnn1Cc1cccc(Br)c1 ZINC000269721925 532788395 /nfs/dbraw/zinc/78/83/95/532788395.db2.gz VBGHZCBHWHXNFW-UHFFFAOYSA-N 1 0 394.317 2.333 20 0 GEADRO CCCOc1c(Br)cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1OC ZINC000325824197 532788956 /nfs/dbraw/zinc/78/89/56/532788956.db2.gz NLTJTOQMEMPEBU-ZDUSSCGKSA-N 1 0 399.285 2.484 20 0 GEADRO CON1CCC([N@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000459591135 532796823 /nfs/dbraw/zinc/79/68/23/532796823.db2.gz SJNGPWWTORFZRT-UHFFFAOYSA-N 1 0 390.347 2.427 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000326736857 532791051 /nfs/dbraw/zinc/79/10/51/532791051.db2.gz CKSFQTBNXXOHQG-QGZVFWFLSA-N 1 0 383.897 2.411 20 0 GEADRO C[NH+](C)C1(CNc2c(Br)cccc2S(C)(=O)=O)CCOCC1 ZINC000287319817 532791459 /nfs/dbraw/zinc/79/14/59/532791459.db2.gz NSWUTJYXDXFDSR-UHFFFAOYSA-N 1 0 391.331 2.375 20 0 GEADRO O=S1(=O)CC[C@@H]([NH2+]C[C@@]2(O)CCSC2)c2cc(Br)ccc21 ZINC000548482024 532791849 /nfs/dbraw/zinc/79/18/49/532791849.db2.gz OXPRIIDIDAEBQA-OCCSQVGLSA-N 1 0 392.340 2.125 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(S(C)(=O)=O)cc1C(F)(F)F ZINC000287326069 532792065 /nfs/dbraw/zinc/79/20/65/532792065.db2.gz MKVYHSZARGUAOM-GFCCVEGCSA-N 1 0 379.448 2.157 20 0 GEADRO CCC[NH+]1CCN(C(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000287371405 532792982 /nfs/dbraw/zinc/79/29/82/532792982.db2.gz KRAUQQYGWOFQGN-UHFFFAOYSA-N 1 0 383.290 2.368 20 0 GEADRO C[C@H]1[C@H](NC(=O)N[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCC[N@@H+]1C ZINC000458640837 532793931 /nfs/dbraw/zinc/79/39/31/532793931.db2.gz HYYUGLPOTUNEPR-SRMUXQRQSA-N 1 0 397.317 2.456 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCCC1CCS(=O)(=O)CC1 ZINC000458628181 532793985 /nfs/dbraw/zinc/79/39/85/532793985.db2.gz ZYCBNNHYKJXUMZ-UHFFFAOYSA-N 1 0 387.571 2.036 20 0 GEADRO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cn1 ZINC000458748575 532794840 /nfs/dbraw/zinc/79/48/40/532794840.db2.gz SRHIVOIXIATBLY-OCCSQVGLSA-N 1 0 385.306 2.051 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000269306046 532780347 /nfs/dbraw/zinc/78/03/47/532780347.db2.gz ZAAIJFDQCIDKJA-OAHLLOKOSA-N 1 0 387.933 2.228 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000314192390 532781026 /nfs/dbraw/zinc/78/10/26/532781026.db2.gz ZCVJBFOMJJXQQD-UHFFFAOYSA-N 1 0 385.283 2.395 20 0 GEADRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(I)cn1)CC2 ZINC000456007480 532781255 /nfs/dbraw/zinc/78/12/55/532781255.db2.gz DDEGHBGBXBXJON-UHFFFAOYSA-N 1 0 385.249 2.387 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000544330058 532781901 /nfs/dbraw/zinc/78/19/01/532781901.db2.gz PPWOHGYBQAXFNB-KRWDZBQOSA-N 1 0 397.317 2.085 20 0 GEADRO C[N@H+](C[C@@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000554934321 532806318 /nfs/dbraw/zinc/80/63/18/532806318.db2.gz HLBLTXLVCXQVMW-OAHLLOKOSA-N 1 0 386.323 2.206 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000555564354 532807388 /nfs/dbraw/zinc/80/73/88/532807388.db2.gz MYSBYAPVAVWEBE-ZIAGYGMSSA-N 1 0 387.343 2.320 20 0 GEADRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCOC2)nnn1-c1cccc(Br)c1 ZINC000271540781 532808391 /nfs/dbraw/zinc/80/83/91/532808391.db2.gz SPNLJPXLQIAUNR-ZBEGNZNMSA-N 1 0 381.274 2.140 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)ccc1S(=O)(=O)C(F)F ZINC000271563681 532808908 /nfs/dbraw/zinc/80/89/08/532808908.db2.gz YCPJNRVRRCHERW-JOMGAKPTSA-N 1 0 383.482 2.499 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000413321948 532809748 /nfs/dbraw/zinc/80/97/48/532809748.db2.gz WVKXMXCVHSHQNL-HNNXBMFYSA-N 1 0 397.361 2.440 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CCSC1 ZINC000271616194 532810410 /nfs/dbraw/zinc/81/04/10/532810410.db2.gz CCFXDZVXXBPTPW-OAHLLOKOSA-N 1 0 377.844 2.110 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000287821382 532810629 /nfs/dbraw/zinc/81/06/29/532810629.db2.gz VFNXWXGGCLMOCY-AAEUAGOBSA-N 1 0 386.823 2.318 20 0 GEADRO C[C@@H](NC(=O)Cc1ccccc1Br)C(=O)NCC[NH+]1CCCCC1 ZINC000550115221 532798126 /nfs/dbraw/zinc/79/81/26/532798126.db2.gz KJXBNUPAIANSGD-CQSZACIVSA-N 1 0 396.329 2.098 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000550793949 532798439 /nfs/dbraw/zinc/79/84/39/532798439.db2.gz CQPSLXCQJDPSIY-UHFFFAOYSA-N 1 0 393.958 2.437 20 0 GEADRO CC(C)N1CC[NH+](C2CCN(C(=O)c3cc(Br)cn3C)CC2)CC1 ZINC000270537411 532799131 /nfs/dbraw/zinc/79/91/31/532799131.db2.gz WHJZAGJHIBIDKB-UHFFFAOYSA-N 1 0 397.361 2.418 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551140202 532799383 /nfs/dbraw/zinc/79/93/83/532799383.db2.gz ONSDFROJYLSLMN-HZPDHXFCSA-N 1 0 384.307 2.395 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000462199640 532800830 /nfs/dbraw/zinc/80/08/30/532800830.db2.gz NGRWGJLXCIBMIM-MEBBXXQBSA-N 1 0 381.270 2.448 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000287594953 532801487 /nfs/dbraw/zinc/80/14/87/532801487.db2.gz LHBVRTGTVDFVMX-LLVKDONJSA-N 1 0 375.803 2.133 20 0 GEADRO O=S1(=O)CCC(O)(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000329151404 532802677 /nfs/dbraw/zinc/80/26/77/532802677.db2.gz ACZOKHVRZCGJJL-AWEZNQCLSA-N 1 0 384.567 2.141 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1 ZINC000329146078 532802980 /nfs/dbraw/zinc/80/29/80/532802980.db2.gz XDBXRIBALIMBFB-ZDUSSCGKSA-N 1 0 385.921 2.044 20 0 GEADRO O=C1[C@H](N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccc(Cl)cc1Cl ZINC000329161992 532803039 /nfs/dbraw/zinc/80/30/39/532803039.db2.gz FVTDHRNTOFKBOI-COLVAYQJSA-N 1 0 389.304 2.218 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000552340024 532803523 /nfs/dbraw/zinc/80/35/23/532803523.db2.gz JFLXXGSZMXOEIE-BBRMVZONSA-N 1 0 387.933 2.461 20 0 GEADRO COC(=O)C1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)CC1 ZINC000552333791 532803843 /nfs/dbraw/zinc/80/38/43/532803843.db2.gz PBNFLBPUPRTPGS-UHFFFAOYSA-N 1 0 388.917 2.248 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000554042673 532804294 /nfs/dbraw/zinc/80/42/94/532804294.db2.gz XZTNAYDSAZGTEY-OCCSQVGLSA-N 1 0 382.302 2.006 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000329890674 532812768 /nfs/dbraw/zinc/81/27/68/532812768.db2.gz GQAGCUCSPXVKCQ-LLVKDONJSA-N 1 0 397.317 2.375 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000287910992 532812930 /nfs/dbraw/zinc/81/29/30/532812930.db2.gz RQXPOXSXUVNWIB-HNNXBMFYSA-N 1 0 397.317 2.051 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272374405 532814938 /nfs/dbraw/zinc/81/49/38/532814938.db2.gz VITZTTIMTGSWQL-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CC[C@@H]21 ZINC000330159870 532815085 /nfs/dbraw/zinc/81/50/85/532815085.db2.gz RIIVRJJOFQMNKB-RISCZKNCSA-N 1 0 377.432 2.273 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+](C3CCOCC3)CC2)cc1O ZINC000272223437 532813653 /nfs/dbraw/zinc/81/36/53/532813653.db2.gz CGUUXCOOCKTMNE-UHFFFAOYSA-N 1 0 385.302 2.460 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000272214043 532813719 /nfs/dbraw/zinc/81/37/19/532813719.db2.gz HWXHNXCYQLVORE-SFYZADRCSA-N 1 0 380.176 2.379 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000272214045 532813786 /nfs/dbraw/zinc/81/37/86/532813786.db2.gz HWXHNXCYQLVORE-YUMQZZPRSA-N 1 0 380.176 2.379 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000413732834 532813994 /nfs/dbraw/zinc/81/39/94/532813994.db2.gz YYWJABKZQRNFEX-OAHLLOKOSA-N 1 0 384.318 2.404 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(Br)c1 ZINC000272382182 532814564 /nfs/dbraw/zinc/81/45/64/532814564.db2.gz WNCYEHAGQFIXNG-SWLSCSKDSA-N 1 0 380.286 2.249 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1Cl ZINC000272367212 532814629 /nfs/dbraw/zinc/81/46/29/532814629.db2.gz UCGWZVOPZUUNJQ-QMTHXVAHSA-N 1 0 386.279 2.493 20 0 GEADRO O=C(Cc1c[nH]c2cc(Br)ccc12)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413795746 532814732 /nfs/dbraw/zinc/81/47/32/532814732.db2.gz BXAUVGZUFYRVER-HNNXBMFYSA-N 1 0 394.313 2.436 20 0 GEADRO Cc1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc(F)c1Br ZINC000414034671 532817588 /nfs/dbraw/zinc/81/75/88/532817588.db2.gz FWIUIOXPTHDXET-NSHDSACASA-N 1 0 386.265 2.245 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000330185181 532815815 /nfs/dbraw/zinc/81/58/15/532815815.db2.gz IZSRADBBUIHLJS-MCIONIFRSA-N 1 0 376.473 2.174 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000288075804 532816616 /nfs/dbraw/zinc/81/66/16/532816616.db2.gz GSSIXKBDNYHALK-NSHDSACASA-N 1 0 380.901 2.392 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000414093425 532818818 /nfs/dbraw/zinc/81/88/18/532818818.db2.gz MCQHPYGSZNQSPB-BBRMVZONSA-N 1 0 390.281 2.394 20 0 GEADRO CC(C)C(=O)N1CCC([NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000414077876 532818937 /nfs/dbraw/zinc/81/89/37/532818937.db2.gz ZPYGPEQHVXJAPX-CYBMUJFWSA-N 1 0 384.318 2.236 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000414134821 532819460 /nfs/dbraw/zinc/81/94/60/532819460.db2.gz HMPXBVHTWFBQAJ-LRDDRELGSA-N 1 0 383.261 2.332 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCSC1 ZINC000288176438 532819759 /nfs/dbraw/zinc/81/97/59/532819759.db2.gz ITWVLOYDTCUPFJ-HNNXBMFYSA-N 1 0 383.583 2.288 20 0 GEADRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000414153276 532819977 /nfs/dbraw/zinc/81/99/77/532819977.db2.gz ZBOTWYDJHWXOQO-JLLWLGSASA-N 1 0 377.304 2.315 20 0 GEADRO CC[C@H](Cn1cncn1)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414173525 532819999 /nfs/dbraw/zinc/81/99/99/532819999.db2.gz FTKIWADKRPZXAG-XJKSGUPXSA-N 1 0 385.281 2.399 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)Cc2cccc(Cl)c2)ccn1 ZINC000288191120 532820044 /nfs/dbraw/zinc/82/00/44/532820044.db2.gz AMMPWFKNQOLMCD-UHFFFAOYSA-N 1 0 383.901 2.295 20 0 GEADRO O=S(=O)(NCC[NH2+][C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC000273145483 532820133 /nfs/dbraw/zinc/82/01/33/532820133.db2.gz VNLBDVMIBWKDSX-MRXNPFEDSA-N 1 0 399.310 2.051 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cnn2cc(Br)cnc12 ZINC000288182096 532820179 /nfs/dbraw/zinc/82/01/79/532820179.db2.gz BPPHPYXKNHUNOL-DGCLKSJQSA-N 1 0 378.274 2.191 20 0 GEADRO COc1cccc([C@H](CNC(=O)c2cnn(C)c2Br)[NH+](C)C)c1 ZINC000273190445 532820552 /nfs/dbraw/zinc/82/05/52/532820552.db2.gz GUZNTEHTCRZLPM-AWEZNQCLSA-N 1 0 381.274 2.224 20 0 GEADRO O[C@@H](C[NH2+]Cc1ncc(Br)cc1Br)C1CCOCC1 ZINC000273207271 532820764 /nfs/dbraw/zinc/82/07/64/532820764.db2.gz MNDIZDSQHIMGSM-ZDUSSCGKSA-N 1 0 394.107 2.484 20 0 GEADRO C[C@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)c1cnn(C)c1 ZINC000273253498 532821228 /nfs/dbraw/zinc/82/12/28/532821228.db2.gz CMFRJJAIOSNQFP-ZDUSSCGKSA-N 1 0 395.301 2.371 20 0 GEADRO COc1ccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414240408 532821275 /nfs/dbraw/zinc/82/12/75/532821275.db2.gz JXTVUUFRYGCVNA-UHFFFAOYSA-N 1 0 399.310 2.437 20 0 GEADRO COc1cc(Br)ccc1CCC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000273244451 532821560 /nfs/dbraw/zinc/82/15/60/532821560.db2.gz XRQWMMXGSILRIV-UHFFFAOYSA-N 1 0 396.285 2.064 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000288275740 532823003 /nfs/dbraw/zinc/82/30/03/532823003.db2.gz IKGJUFJQYVDTDO-HNNXBMFYSA-N 1 0 384.322 2.304 20 0 GEADRO CCC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCOCC1 ZINC000414368906 532823138 /nfs/dbraw/zinc/82/31/38/532823138.db2.gz TXWIGDLEXAWWPU-UHFFFAOYSA-N 1 0 391.331 2.393 20 0 GEADRO COC(=O)c1coc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000273414744 532823476 /nfs/dbraw/zinc/82/34/76/532823476.db2.gz PHMHBFOXRKWRQK-UHFFFAOYSA-N 1 0 381.226 2.348 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)c1nc2ccc(Br)cn2n1 ZINC000414403285 532825126 /nfs/dbraw/zinc/82/51/26/532825126.db2.gz RDDSOQLCIXDSMQ-UHFFFAOYSA-N 1 0 380.290 2.440 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cnc(-c3ncccn3)s2)C[C@H]1[NH+]1CCCC1 ZINC000273482551 532825316 /nfs/dbraw/zinc/82/53/16/532825316.db2.gz JCSSANZUSSHEMI-TZMCWYRMSA-N 1 0 375.523 2.252 20 0 GEADRO CS[C@H]1CN(C(=O)CCCNC(=O)c2ccsc2)C[C@@H]1[NH+]1CCCC1 ZINC000273481095 532825351 /nfs/dbraw/zinc/82/53/51/532825351.db2.gz IWNSPIBHRFRAHJ-HOTGVXAUSA-N 1 0 381.567 2.296 20 0 GEADRO C[C@@H](CCNC(=O)c1nc2ccc(Br)cn2n1)[NH+]1CCCCC1 ZINC000414397903 532824216 /nfs/dbraw/zinc/82/42/16/532824216.db2.gz IRMCHPAOHWVTAO-LBPRGKRZSA-N 1 0 380.290 2.486 20 0 GEADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc(Br)cn2)CCCC1 ZINC000330805052 532827801 /nfs/dbraw/zinc/82/78/01/532827801.db2.gz GPEJRBMPDGSBPB-UHFFFAOYSA-N 1 0 376.320 2.244 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000288538108 532830347 /nfs/dbraw/zinc/83/03/47/532830347.db2.gz FBKLTPGKCPKHHO-CQSZACIVSA-N 1 0 383.286 2.268 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)N(C)CCn2cc(Br)cn2)CC1 ZINC000288517740 532829751 /nfs/dbraw/zinc/82/97/51/532829751.db2.gz BPTDKKFUUIZWBW-UHFFFAOYSA-N 1 0 386.338 2.409 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(OC)c(O)c3Br)C2)CC1 ZINC000273699422 532831550 /nfs/dbraw/zinc/83/15/50/532831550.db2.gz CVEMBPQXECUJRS-OAHLLOKOSA-N 1 0 398.345 2.375 20 0 GEADRO CCS(=O)(=O)CCC[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000414544657 532831804 /nfs/dbraw/zinc/83/18/04/532831804.db2.gz PKAPRHFNWAWWHJ-UHFFFAOYSA-N 1 0 380.304 2.381 20 0 GEADRO OC[C@@H]([NH2+]Cc1ncc(Br)cc1Br)[C@@H]1CCCOC1 ZINC000414552591 532831903 /nfs/dbraw/zinc/83/19/03/532831903.db2.gz KMLQMNLMLDMABA-NOZJJQNGSA-N 1 0 394.107 2.484 20 0 GEADRO C[C@H](C[NH2+]CCCCn1cc(C(N)=O)nn1)c1cccc(Br)c1 ZINC000414562216 532832602 /nfs/dbraw/zinc/83/26/02/532832602.db2.gz AQAOLEZNBKGHIJ-GFCCVEGCSA-N 1 0 380.290 2.313 20 0 GEADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000288551981 532830970 /nfs/dbraw/zinc/83/09/70/532830970.db2.gz GAGYWQJMXUVQRR-MWLCHTKSSA-N 1 0 378.279 2.400 20 0 GEADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(Br)o2)cc1 ZINC000414728794 532834854 /nfs/dbraw/zinc/83/48/54/532834854.db2.gz PBNDHOYUBPKYIC-UHFFFAOYSA-N 1 0 380.242 2.359 20 0 GEADRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000331128832 532833622 /nfs/dbraw/zinc/83/36/22/532833622.db2.gz AAVREPUICAAMCY-UKRRQHHQSA-N 1 0 388.249 2.370 20 0 GEADRO CC[NH2+][C@H](C)CNCc1cc(I)c(OC)c(OC)c1 ZINC000414955220 532835954 /nfs/dbraw/zinc/83/59/54/532835954.db2.gz MACHXAFJRZTQNO-SNVBAGLBSA-N 1 0 378.254 2.396 20 0 GEADRO COc1cc(CN[C@@H]2CC[NH2+]C[C@H]2C)cc(I)c1OC ZINC000414946397 532836014 /nfs/dbraw/zinc/83/60/14/532836014.db2.gz TXRGEEFSTHIWLI-ZWNOBZJWSA-N 1 0 390.265 2.396 20 0 GEADRO [NH3+]C[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCOCC1)C1CC1 ZINC000414923843 532836248 /nfs/dbraw/zinc/83/62/48/532836248.db2.gz GEQOZINQKGRFMS-CQSZACIVSA-N 1 0 383.290 2.145 20 0 GEADRO COC[C@]1(CNCc2c(F)ccc(I)c2F)CCC[NH2+]1 ZINC000414954604 532836279 /nfs/dbraw/zinc/83/62/79/532836279.db2.gz LNNVXNAXVAUCPU-CQSZACIVSA-N 1 0 396.219 2.428 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000414897655 532835238 /nfs/dbraw/zinc/83/52/38/532835238.db2.gz FETYUKUEFUEOII-LBPRGKRZSA-N 1 0 383.290 2.076 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000331186095 532835299 /nfs/dbraw/zinc/83/52/99/532835299.db2.gz NJJXOAYSOXUEPZ-ZIAGYGMSSA-N 1 0 394.324 2.382 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415071574 532837297 /nfs/dbraw/zinc/83/72/97/532837297.db2.gz KOTDYSPICVNPDG-SECBINFHSA-N 1 0 375.210 2.173 20 0 GEADRO [NH3+]CC(=O)N1CCC[C@@H](CNc2cnn(-c3ncc(Cl)cc3Cl)c2)C1 ZINC000415102839 532837673 /nfs/dbraw/zinc/83/76/73/532837673.db2.gz JZPQDGHWXCWSAO-NSHDSACASA-N 1 0 383.283 2.183 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCCO[C@H](C[NH3+])C1 ZINC000415104025 532838062 /nfs/dbraw/zinc/83/80/62/532838062.db2.gz GHYXSTBGKZHSNU-QGZVFWFLSA-N 1 0 379.302 2.493 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCn1cc(Br)cn1 ZINC000288805090 532838553 /nfs/dbraw/zinc/83/85/53/532838553.db2.gz JLKWEWIIIIBRNS-HIFRSBDPSA-N 1 0 384.322 2.304 20 0 GEADRO O=C1N[C@H]2CN(Cc3cc(Br)cs3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141392 532838508 /nfs/dbraw/zinc/83/85/08/532838508.db2.gz PDBHPSSMAOTNCF-GJZGRUSLSA-N 1 0 399.358 2.231 20 0 GEADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)cc1 ZINC000415159721 532838849 /nfs/dbraw/zinc/83/88/49/532838849.db2.gz JHYUUIFWVSZSJA-CQSZACIVSA-N 1 0 376.507 2.118 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000415220835 532839224 /nfs/dbraw/zinc/83/92/24/532839224.db2.gz ZNWJSSOOAVPBCH-CQSZACIVSA-N 1 0 378.274 2.453 20 0 GEADRO [NH3+]CCN(CCO)C(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000415219448 532839324 /nfs/dbraw/zinc/83/93/24/532839324.db2.gz XXNPFOQMCDLHHY-UHFFFAOYSA-N 1 0 395.257 2.421 20 0 GEADRO CCc1ccc([C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C(C)C)cc1 ZINC000083823580 212150417 /nfs/dbraw/zinc/15/04/17/212150417.db2.gz YCBDKKCTUYWGMJ-IBGZPJMESA-N 1 0 385.512 2.459 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000415264692 532839874 /nfs/dbraw/zinc/83/98/74/532839874.db2.gz CWRWQSCNLLJPSX-LBPRGKRZSA-N 1 0 384.274 2.125 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCCC(C)(C)CO)CC2)cc1 ZINC000359992065 212130576 /nfs/dbraw/zinc/13/05/76/212130576.db2.gz GNFATFWCDQSUNT-UHFFFAOYSA-N 1 0 384.542 2.237 20 0 GEADRO Cn1cc([C@H](CO)NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000359993250 212129854 /nfs/dbraw/zinc/12/98/54/212129854.db2.gz JSXZJLYIEZTZKW-KCLUMXDGSA-N 1 0 397.523 2.053 20 0 GEADRO COCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccc(C)o1 ZINC000359998037 212131815 /nfs/dbraw/zinc/13/18/15/212131815.db2.gz LCZCHMBSEDLBIW-YTQUADARSA-N 1 0 392.544 2.333 20 0 GEADRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2F)CC1)C(=O)NC(C)(C)C ZINC000359977364 212128800 /nfs/dbraw/zinc/12/88/00/212128800.db2.gz KNUJUFUGZAZCDH-CQSZACIVSA-N 1 0 378.492 2.393 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000359878550 212121935 /nfs/dbraw/zinc/12/19/35/212121935.db2.gz RIWLGIBYEJERTE-CQSZACIVSA-N 1 0 398.504 2.168 20 0 GEADRO CC[NH+]1CCC(N(C(=O)Cn2cc(Br)ccc2=O)C2CC2)CC1 ZINC000359927419 212124891 /nfs/dbraw/zinc/12/48/91/212124891.db2.gz MASOEHBTNHOZIM-UHFFFAOYSA-N 1 0 382.302 2.086 20 0 GEADRO CCn1nc2c(cc1=O)C[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000359876159 212122104 /nfs/dbraw/zinc/12/21/04/212122104.db2.gz UHWONVHKDZALEC-UHFFFAOYSA-N 1 0 376.501 2.268 20 0 GEADRO CCOC(=O)C1CCN(C(=O)CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000359900857 212111060 /nfs/dbraw/zinc/11/10/60/212111060.db2.gz QLWHLVQGAAXDCG-OALUTQOASA-N 1 0 393.572 2.375 20 0 GEADRO C[NH+]1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000003568279 212102539 /nfs/dbraw/zinc/10/25/39/212102539.db2.gz QWPUICIHYUIMHM-UHFFFAOYSA-N 1 0 387.553 2.154 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CN(C)CC(=O)N(C)CC(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000328630113 212087994 /nfs/dbraw/zinc/08/79/94/212087994.db2.gz IZZBBHIWURXWAP-WMLDXEAASA-N 1 0 389.466 2.146 20 0 GEADRO CCc1nnsc1C(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000328623388 212086067 /nfs/dbraw/zinc/08/60/67/212086067.db2.gz JAQUQWMZGPRQBB-XJKSGUPXSA-N 1 0 376.530 2.379 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CC1 ZINC000415281552 532840275 /nfs/dbraw/zinc/84/02/75/532840275.db2.gz KUKXDICUAYWTOP-UHFFFAOYSA-N 1 0 379.766 2.169 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000415285237 532840421 /nfs/dbraw/zinc/84/04/21/532840421.db2.gz RGMMXACVPLVCSE-JTQLQIEISA-N 1 0 375.803 2.338 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCCCC1 ZINC000415276526 532840429 /nfs/dbraw/zinc/84/04/29/532840429.db2.gz DICDVIMBDXSJBT-UHFFFAOYSA-N 1 0 395.301 2.438 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415283048 532840466 /nfs/dbraw/zinc/84/04/66/532840466.db2.gz MCZARXJWBBHTPP-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415281654 532840522 /nfs/dbraw/zinc/84/05/22/532840522.db2.gz KYOQDYXPKBZUCO-LBPRGKRZSA-N 1 0 394.313 2.334 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415275215 532840536 /nfs/dbraw/zinc/84/05/36/532840536.db2.gz AYZZFIGIAAZBLE-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000415273086 532840586 /nfs/dbraw/zinc/84/05/86/532840586.db2.gz QZSSATMUGQFALS-SECBINFHSA-N 1 0 394.191 2.356 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCO1 ZINC000415297590 532840658 /nfs/dbraw/zinc/84/06/58/532840658.db2.gz KDQPKSHKTONJJT-ZDUSSCGKSA-N 1 0 383.290 2.241 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000415302653 532840857 /nfs/dbraw/zinc/84/08/57/532840857.db2.gz NUSBQBNFJJZGQY-UHFFFAOYSA-N 1 0 391.269 2.133 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000415313623 532841283 /nfs/dbraw/zinc/84/12/83/532841283.db2.gz VTIXCLSMMKLFAS-UHFFFAOYSA-N 1 0 391.269 2.133 20 0 GEADRO O=C(Nc1ccc(Br)c2ccccc12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415312695 532841318 /nfs/dbraw/zinc/84/13/18/532841318.db2.gz GTBBKUYPENDQRZ-LLVKDONJSA-N 1 0 376.254 2.409 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cnc1Br ZINC000288898712 532841343 /nfs/dbraw/zinc/84/13/43/532841343.db2.gz GWVWKKJTMFMNJI-OCCSQVGLSA-N 1 0 395.301 2.176 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000331599059 532841582 /nfs/dbraw/zinc/84/15/82/532841582.db2.gz QLCGTQLPQHHGNT-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO Cc1cccn2c(=O)cc(C[N@H+](C)CCn3cc(Br)cn3)nc12 ZINC000288913829 532841818 /nfs/dbraw/zinc/84/18/18/532841818.db2.gz UKTQPHUMLSBWAP-UHFFFAOYSA-N 1 0 376.258 2.094 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000415342027 532842120 /nfs/dbraw/zinc/84/21/20/532842120.db2.gz IEUSFSOQHCTVNE-NSHDSACASA-N 1 0 375.416 2.408 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(F)cc1Br ZINC000415346357 532842281 /nfs/dbraw/zinc/84/22/81/532842281.db2.gz HIIKOLFKQBRYHN-WDEREUQCSA-N 1 0 386.265 2.339 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC000415351735 532842316 /nfs/dbraw/zinc/84/23/16/532842316.db2.gz IPQPVCKGEDMEEB-VIFPVBQESA-N 1 0 379.766 2.027 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415344716 532842371 /nfs/dbraw/zinc/84/23/71/532842371.db2.gz FDOPQYJTEGZVIU-NEPJUHHUSA-N 1 0 398.301 2.209 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000331677108 532842540 /nfs/dbraw/zinc/84/25/40/532842540.db2.gz ZZKYVNISUAWYLC-JTQLQIEISA-N 1 0 398.248 2.191 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415353462 532842579 /nfs/dbraw/zinc/84/25/79/532842579.db2.gz QWPNIEAQUBBQQP-RYUDHWBXSA-N 1 0 398.301 2.209 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000415358017 532842677 /nfs/dbraw/zinc/84/26/77/532842677.db2.gz STWYVQDSIABGGT-QMMMGPOBSA-N 1 0 394.191 2.214 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000415359554 532842785 /nfs/dbraw/zinc/84/27/85/532842785.db2.gz KLZSVDSUWWPQIL-UHFFFAOYSA-N 1 0 385.358 2.337 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000331693574 532842810 /nfs/dbraw/zinc/84/28/10/532842810.db2.gz XZSYNOGOPBYPJU-BLLLJJGKSA-N 1 0 382.302 2.456 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415365006 532842928 /nfs/dbraw/zinc/84/29/28/532842928.db2.gz VDCDXNKNYXZGOB-ZETCQYMHSA-N 1 0 398.179 2.140 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000415376606 532843056 /nfs/dbraw/zinc/84/30/56/532843056.db2.gz YTUVPBDDEZAVPO-UHFFFAOYSA-N 1 0 384.274 2.091 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000415375769 532843132 /nfs/dbraw/zinc/84/31/32/532843132.db2.gz XRQXULSZBFABCY-UHFFFAOYSA-N 1 0 376.201 2.052 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415377878 532843185 /nfs/dbraw/zinc/84/31/85/532843185.db2.gz BRERFWUBNWJVLF-JTQLQIEISA-N 1 0 386.265 2.421 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc(F)c2I)CCCO1 ZINC000415364431 532843164 /nfs/dbraw/zinc/84/31/64/532843164.db2.gz RZFCZKULMOLGQE-VIFPVBQESA-N 1 0 393.200 2.012 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000288963447 532843196 /nfs/dbraw/zinc/84/31/96/532843196.db2.gz PYFXKTOFEYFRJG-SWLSCSKDSA-N 1 0 394.313 2.149 20 0 GEADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415387799 532843332 /nfs/dbraw/zinc/84/33/32/532843332.db2.gz YQJJCJCLAKEXTN-UHFFFAOYSA-N 1 0 384.267 2.030 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)c(F)cc1C)[C@@H]1CC[NH2+]C1 ZINC000415382786 532843570 /nfs/dbraw/zinc/84/35/70/532843570.db2.gz AYFQMSQGBPPXCQ-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000415382401 532843573 /nfs/dbraw/zinc/84/35/73/532843573.db2.gz SCOIXALJBHXCEB-LBPRGKRZSA-N 1 0 384.274 2.043 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000288989240 532843786 /nfs/dbraw/zinc/84/37/86/532843786.db2.gz RWHUBLVZCCTFNK-IUODEOHRSA-N 1 0 394.313 2.149 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)[C@@H]1CC[NH2+]C1 ZINC000415396755 532843981 /nfs/dbraw/zinc/84/39/81/532843981.db2.gz UYQAVJCOBNMWEO-GFCCVEGCSA-N 1 0 395.301 2.261 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000415395621 532844066 /nfs/dbraw/zinc/84/40/66/532844066.db2.gz FTXJVQRSSDXPMO-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415405571 532844262 /nfs/dbraw/zinc/84/42/62/532844262.db2.gz COMWKMMCFAKKSR-LBPRGKRZSA-N 1 0 398.301 2.292 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCCO1 ZINC000415403418 532844406 /nfs/dbraw/zinc/84/44/06/532844406.db2.gz RZZLAUISPCOBBI-LBPRGKRZSA-N 1 0 384.267 2.761 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000289010662 532844502 /nfs/dbraw/zinc/84/45/02/532844502.db2.gz KIYUCZAPWRJBQN-BLLLJJGKSA-N 1 0 394.313 2.006 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC[C@@H]1[NH3+] ZINC000415428717 532844722 /nfs/dbraw/zinc/84/47/22/532844722.db2.gz DDEVIWBTXWQSHY-GWCFXTLKSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000415431710 532845041 /nfs/dbraw/zinc/84/50/41/532845041.db2.gz DWSYRDQZBSVENX-VHSXEESVSA-N 1 0 375.803 2.466 20 0 GEADRO CCCN(C(=O)Nc1ccncc1I)C1CC[NH2+]CC1 ZINC000415425715 532845096 /nfs/dbraw/zinc/84/50/96/532845096.db2.gz LPWPVDLXSGOTGB-UHFFFAOYSA-N 1 0 388.253 2.104 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC[C@H]1[NH3+] ZINC000415439414 532845373 /nfs/dbraw/zinc/84/53/73/532845373.db2.gz LSFBNEDMXKOTLG-MWLCHTKSSA-N 1 0 375.803 2.118 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415443370 532845763 /nfs/dbraw/zinc/84/57/63/532845763.db2.gz FOJYTPGFBBBQMQ-LBPRGKRZSA-N 1 0 379.258 2.035 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)C1CC1 ZINC000415460057 532846467 /nfs/dbraw/zinc/84/64/67/532846467.db2.gz XSBAMVWTJTXONA-LLVKDONJSA-N 1 0 394.191 2.260 20 0 GEADRO CSc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)o1 ZINC000274272711 532846505 /nfs/dbraw/zinc/84/65/05/532846505.db2.gz MHXHHQPNBAWDAD-UHFFFAOYSA-N 1 0 383.495 2.094 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000415454078 532846624 /nfs/dbraw/zinc/84/66/24/532846624.db2.gz ZRYFSPGMERBIKK-NEPJUHHUSA-N 1 0 398.301 2.372 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415489949 532847397 /nfs/dbraw/zinc/84/73/97/532847397.db2.gz VASMUHNWLJLVEH-WDEREUQCSA-N 1 0 379.262 2.231 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415489945 532847438 /nfs/dbraw/zinc/84/74/38/532847438.db2.gz VASMUHNWLJLVEH-QWRGUYRKSA-N 1 0 379.262 2.231 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415494325 532847465 /nfs/dbraw/zinc/84/74/65/532847465.db2.gz ZGLDDQBHHMPMIX-WDEREUQCSA-N 1 0 379.262 2.231 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415493453 532847494 /nfs/dbraw/zinc/84/74/94/532847494.db2.gz VBIDBFLRAOYTDP-UHFFFAOYSA-N 1 0 376.682 2.484 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000415490931 532847524 /nfs/dbraw/zinc/84/75/24/532847524.db2.gz CNRSWRPPNQQXHG-GFCCVEGCSA-N 1 0 386.290 2.338 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415498077 532848085 /nfs/dbraw/zinc/84/80/85/532848085.db2.gz JACKDELVNZJEGJ-SECBINFHSA-N 1 0 382.287 2.780 20 0 GEADRO Cc1nc2cc(Br)cc(NC(=O)NCCCN3CC[NH2+]CC3)c2o1 ZINC000415501682 532847763 /nfs/dbraw/zinc/84/77/63/532847763.db2.gz OUJSCBRMFQVMQN-UHFFFAOYSA-N 1 0 396.289 2.316 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415502035 532847813 /nfs/dbraw/zinc/84/78/13/532847813.db2.gz SIJINOXCEPKODY-MRVPVSSYSA-N 1 0 378.217 2.300 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415507632 532848241 /nfs/dbraw/zinc/84/82/41/532848241.db2.gz WEQDHPGYOSYXJT-RQJHMYQMSA-N 1 0 388.266 2.964 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415505378 532848256 /nfs/dbraw/zinc/84/82/56/532848256.db2.gz YOLUJRGKFDNISP-NSHDSACASA-N 1 0 375.416 2.332 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415511982 532848361 /nfs/dbraw/zinc/84/83/61/532848361.db2.gz RSFSMFQOJSMSLW-ZETCQYMHSA-N 1 0 382.180 2.117 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[NH2+]1 ZINC000415507553 532848375 /nfs/dbraw/zinc/84/83/75/532848375.db2.gz VVVRKAXSNHVIMS-SECBINFHSA-N 1 0 382.287 2.793 20 0 GEADRO [NH3+]CCCCNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415507514 532848478 /nfs/dbraw/zinc/84/84/78/532848478.db2.gz VQKRXPJITQYKPU-UHFFFAOYSA-N 1 0 388.266 2.967 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415522858 532848740 /nfs/dbraw/zinc/84/87/40/532848740.db2.gz OZBPANPJLKHAAE-GFCCVEGCSA-N 1 0 384.267 2.348 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)C1CC1 ZINC000415530080 532849007 /nfs/dbraw/zinc/84/90/07/532849007.db2.gz CFQIJFWHTGCPNK-LLVKDONJSA-N 1 0 379.766 2.073 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C[C@@H]1[NH3+] ZINC000332095105 532848860 /nfs/dbraw/zinc/84/88/60/532848860.db2.gz AAIMRXZCWSAVTN-BZNIZROVSA-N 1 0 382.291 2.415 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415536589 532849195 /nfs/dbraw/zinc/84/91/95/532849195.db2.gz ZYODREDHKXUHEW-UWVGGRQHSA-N 1 0 375.416 2.317 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1)C1CC1 ZINC000415537982 532849313 /nfs/dbraw/zinc/84/93/13/532849313.db2.gz IKKVOIRLPSDDPS-CQSZACIVSA-N 1 0 378.885 2.179 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]CCN(CC)CCO)cc1OC ZINC000274405252 532849288 /nfs/dbraw/zinc/84/92/88/532849288.db2.gz NKAQXMQKLIMMEG-UHFFFAOYSA-N 1 0 375.307 2.260 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1)C1CC1 ZINC000415537981 532849509 /nfs/dbraw/zinc/84/95/09/532849509.db2.gz IKKVOIRLPSDDPS-AWEZNQCLSA-N 1 0 378.885 2.179 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415535444 532849566 /nfs/dbraw/zinc/84/95/66/532849566.db2.gz LEMXUPUUKVQJPW-GFCCVEGCSA-N 1 0 384.274 2.028 20 0 GEADRO C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1Br)C1=CC[N@H+](C)CC1 ZINC000289216051 532850198 /nfs/dbraw/zinc/85/01/98/532850198.db2.gz CGKLHAZXVHKJKR-ZDUSSCGKSA-N 1 0 394.313 2.174 20 0 GEADRO O=C(Nc1cc(F)cc(F)c1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415560973 532850524 /nfs/dbraw/zinc/85/05/24/532850524.db2.gz LZBHXKBCQDBISF-LLVKDONJSA-N 1 0 389.244 2.239 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1Br ZINC000274446863 532850695 /nfs/dbraw/zinc/85/06/95/532850695.db2.gz ULRXFZITZUJEMK-RISCZKNCSA-N 1 0 380.286 2.295 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415575459 532850805 /nfs/dbraw/zinc/85/08/05/532850805.db2.gz XAVCWQAHIKMWTL-UHFFFAOYSA-N 1 0 398.179 2.141 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CCC1 ZINC000415566616 532850433 /nfs/dbraw/zinc/85/04/33/532850433.db2.gz WRDMKZLDXUTRFP-UHFFFAOYSA-N 1 0 378.629 2.178 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)[C@@H](C)C[NH2+]1 ZINC000415564812 532850444 /nfs/dbraw/zinc/85/04/44/532850444.db2.gz OIJKJVAANFKIMH-ZJUUUORDSA-N 1 0 375.803 2.131 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415573449 532851067 /nfs/dbraw/zinc/85/10/67/532851067.db2.gz ULBAGIUQTYBFIF-UHFFFAOYSA-N 1 0 384.267 2.032 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCC[NH2+]C1 ZINC000415576908 532850868 /nfs/dbraw/zinc/85/08/68/532850868.db2.gz WWYKAHPVOWNSQU-OAHLLOKOSA-N 1 0 390.228 2.172 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000332250464 532850915 /nfs/dbraw/zinc/85/09/15/532850915.db2.gz BQQARZQFPCLKEL-IAQYHMDHSA-N 1 0 382.302 2.442 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc(Br)c1F ZINC000415608041 532851371 /nfs/dbraw/zinc/85/13/71/532851371.db2.gz LMBRQHURVKJZQR-PELKAZGASA-N 1 0 388.237 2.494 20 0 GEADRO COC(=O)c1cc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc(Br)c1F ZINC000415616492 532851269 /nfs/dbraw/zinc/85/12/69/532851269.db2.gz SYPGMWSHCKQWQF-DTORHVGOSA-N 1 0 386.221 2.058 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415638363 532851615 /nfs/dbraw/zinc/85/16/15/532851615.db2.gz BIMAACXLVSMXRD-BDAKNGLRSA-N 1 0 376.201 2.052 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000415613705 532851409 /nfs/dbraw/zinc/85/14/09/532851409.db2.gz MIBRGLZWAXNKHK-MFKMUULPSA-N 1 0 382.789 2.285 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2s1 ZINC000415609237 532851428 /nfs/dbraw/zinc/85/14/28/532851428.db2.gz VKKDEPYHSUDVTP-KRWDZBQOSA-N 1 0 378.885 2.409 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000332297506 532851828 /nfs/dbraw/zinc/85/18/28/532851828.db2.gz UQVILECXRPURFO-ZDUSSCGKSA-N 1 0 392.290 2.105 20 0 GEADRO [NH3+]CCN(CCO)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415633295 532851748 /nfs/dbraw/zinc/85/17/48/532851748.db2.gz QFNWXOJNZLBVJR-UHFFFAOYSA-N 1 0 386.168 2.133 20 0 GEADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415653826 532852280 /nfs/dbraw/zinc/85/22/80/532852280.db2.gz RYPXGMHOFYAZLI-UWVGGRQHSA-N 1 0 381.889 2.127 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415654059 532852380 /nfs/dbraw/zinc/85/23/80/532852380.db2.gz GDVMKZJKSHPHQV-SSDOTTSWSA-N 1 0 380.645 2.294 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415665496 532852514 /nfs/dbraw/zinc/85/25/14/532852514.db2.gz DKTBJLULYXONGR-ZYHUDNBSSA-N 1 0 384.274 2.043 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC[NH2+]1 ZINC000415662012 532852528 /nfs/dbraw/zinc/85/25/28/532852528.db2.gz PTGUYROATWXCJI-GXFFZTMASA-N 1 0 380.286 2.133 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415665110 532852606 /nfs/dbraw/zinc/85/26/06/532852606.db2.gz ZVAHJTNXMHDBCY-VXGBXAGGSA-N 1 0 384.274 2.172 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332351851 532852696 /nfs/dbraw/zinc/85/26/96/532852696.db2.gz YMTDXMTXWWJINS-DLBZAZTESA-N 1 0 386.945 2.211 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415671701 532853115 /nfs/dbraw/zinc/85/31/15/532853115.db2.gz DFQSELUTMPSIRN-VIFPVBQESA-N 1 0 390.228 2.253 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415674512 532853122 /nfs/dbraw/zinc/85/31/22/532853122.db2.gz DZMHMNZERKJTNI-SECBINFHSA-N 1 0 390.228 2.253 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415667963 532853200 /nfs/dbraw/zinc/85/32/00/532853200.db2.gz BOHVYVGZANLPOV-NSHDSACASA-N 1 0 380.798 2.306 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415667961 532853318 /nfs/dbraw/zinc/85/33/18/532853318.db2.gz BOHVYVGZANLPOV-LLVKDONJSA-N 1 0 380.798 2.306 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415689331 532853442 /nfs/dbraw/zinc/85/34/42/532853442.db2.gz MCENRTQXPUBUDI-NSHDSACASA-N 1 0 386.265 2.423 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[NH2+]1 ZINC000415683338 532853489 /nfs/dbraw/zinc/85/34/89/532853489.db2.gz SNBFEKTZCSPOJU-JGVFFNPUSA-N 1 0 392.656 2.437 20 0 GEADRO [NH3+]CC1(NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CCCC1 ZINC000415681618 532853531 /nfs/dbraw/zinc/85/35/31/532853531.db2.gz RKXRSBQPWMNNGT-UHFFFAOYSA-N 1 0 398.305 2.074 20 0 GEADRO O=c1nc(C2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)[nH][nH]1 ZINC000289378556 532853597 /nfs/dbraw/zinc/85/35/97/532853597.db2.gz IXSLNAIYZSHMNH-GFCCVEGCSA-N 1 0 387.267 2.024 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000415734909 532855066 /nfs/dbraw/zinc/85/50/66/532855066.db2.gz JYZTVJRCUOEESE-XYPYZODXSA-N 1 0 386.265 2.408 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)CCO1 ZINC000274736276 532855249 /nfs/dbraw/zinc/85/52/49/532855249.db2.gz DKOSBXQZXOHINA-AWEZNQCLSA-N 1 0 392.253 2.436 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000415737466 532855237 /nfs/dbraw/zinc/85/52/37/532855237.db2.gz COQIPRRUPZHVBL-LLVKDONJSA-N 1 0 386.290 2.338 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000289467814 532855550 /nfs/dbraw/zinc/85/55/50/532855550.db2.gz HOUMXXZHDMCAKP-CYBMUJFWSA-N 1 0 391.559 2.045 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000289470385 532855685 /nfs/dbraw/zinc/85/56/85/532855685.db2.gz AUKDUUYEDLYBQH-HOTGVXAUSA-N 1 0 394.313 2.122 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415754483 532855971 /nfs/dbraw/zinc/85/59/71/532855971.db2.gz ZNRKUDGJQIBXDP-VHSXEESVSA-N 1 0 386.677 2.109 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415758931 532856027 /nfs/dbraw/zinc/85/60/27/532856027.db2.gz PWJOYFIKBUEYPT-FZMZJTMJSA-N 1 0 378.274 2.754 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415754478 532856038 /nfs/dbraw/zinc/85/60/38/532856038.db2.gz ZNRKUDGJQIBXDP-NXEZZACHSA-N 1 0 386.677 2.109 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415746554 532855441 /nfs/dbraw/zinc/85/54/41/532855441.db2.gz VHHZURUKGDAGGD-JTQLQIEISA-N 1 0 383.905 2.374 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415763158 532856558 /nfs/dbraw/zinc/85/65/58/532856558.db2.gz NRDXIEXSVFVVGL-CYBMUJFWSA-N 1 0 380.286 2.236 20 0 GEADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000332489492 532856318 /nfs/dbraw/zinc/85/63/18/532856318.db2.gz OIYWPKLGXVAEIN-SOISORPOSA-N 1 0 394.313 2.108 20 0 GEADRO [NH3+]CC[C@H](NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C(F)F ZINC000415762556 532856415 /nfs/dbraw/zinc/85/64/15/532856415.db2.gz WNZTULGGSOTBJL-NSHDSACASA-N 1 0 388.216 2.739 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C(F)F ZINC000415762554 532856526 /nfs/dbraw/zinc/85/65/26/532856526.db2.gz WNZTULGGSOTBJL-LLVKDONJSA-N 1 0 388.216 2.739 20 0 GEADRO COCC1(CNC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CC[NH2+]CC1 ZINC000415779005 532856855 /nfs/dbraw/zinc/85/68/55/532856855.db2.gz ITSZAUOQWSNRQG-NSHDSACASA-N 1 0 380.436 2.370 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415771549 532857004 /nfs/dbraw/zinc/85/70/04/532857004.db2.gz HWWLOFLMXLYCOV-BXKDBHETSA-N 1 0 389.237 2.419 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000415780169 532857086 /nfs/dbraw/zinc/85/70/86/532857086.db2.gz KCZJFEUHOPHUEP-LBPRGKRZSA-N 1 0 384.933 2.075 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415798247 532857780 /nfs/dbraw/zinc/85/77/80/532857780.db2.gz AINJDLKVJMTAIN-LLVKDONJSA-N 1 0 386.265 2.484 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)C1CC([NH3+])C1 ZINC000415794246 532857884 /nfs/dbraw/zinc/85/78/84/532857884.db2.gz VJNQQWZGOUTZSK-UHFFFAOYSA-N 1 0 379.766 2.168 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NCc2ncc(Br)cc2Br)C1 ZINC000274838435 532857925 /nfs/dbraw/zinc/85/79/25/532857925.db2.gz LQAMGIIPBJHXTM-LLVKDONJSA-N 1 0 393.123 2.417 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C(F)F ZINC000415794215 532857674 /nfs/dbraw/zinc/85/76/74/532857674.db2.gz VGMQVWIGJBIHQB-VIFPVBQESA-N 1 0 384.608 2.140 20 0 GEADRO CCNC(=O)C1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCC1 ZINC000289536840 532858093 /nfs/dbraw/zinc/85/80/93/532858093.db2.gz OYXMZMJIPNIQJG-UHFFFAOYSA-N 1 0 392.301 2.426 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415808023 532858163 /nfs/dbraw/zinc/85/81/63/532858163.db2.gz RQBTWDMCIQHJLY-GFCCVEGCSA-N 1 0 398.301 2.353 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415803651 532858200 /nfs/dbraw/zinc/85/82/00/532858200.db2.gz HHRSCOLJMJRZEH-MNOVXSKESA-N 1 0 386.265 2.469 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000415804149 532858209 /nfs/dbraw/zinc/85/82/09/532858209.db2.gz HWTOKLCKWWVQMJ-QWRGUYRKSA-N 1 0 386.265 2.469 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415819571 532858765 /nfs/dbraw/zinc/85/87/65/532858765.db2.gz YJGCOZJHEBWKAO-RKDXNWHRSA-N 1 0 390.228 2.300 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415820168 532858946 /nfs/dbraw/zinc/85/89/46/532858946.db2.gz AJVOWCOPIFATSV-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO COc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289550390 532858548 /nfs/dbraw/zinc/85/85/48/532858548.db2.gz IMKKYZGFLRPBFT-SJKOYZFVSA-N 1 0 396.285 2.410 20 0 GEADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415819726 532858576 /nfs/dbraw/zinc/85/85/76/532858576.db2.gz YNXMSWOKULBGAM-JQWIXIFHSA-N 1 0 395.301 2.294 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000415821582 532858584 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O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415872882 532861646 /nfs/dbraw/zinc/86/16/46/532861646.db2.gz TUCCNHJXSMKNIF-UHFFFAOYSA-N 1 0 375.803 2.181 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415872990 532861460 /nfs/dbraw/zinc/86/14/60/532861460.db2.gz TUCUMMLNSZCXFL-FRRDWIJNSA-N 1 0 380.286 2.200 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415885666 532861837 /nfs/dbraw/zinc/86/18/37/532861837.db2.gz FVOGAFUOZORNNL-UHFFFAOYSA-N 1 0 393.285 2.086 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2s1 ZINC000415901140 532861881 /nfs/dbraw/zinc/86/18/81/532861881.db2.gz WUQBTXNPQICXMN-GHMZBOCLSA-N 1 0 378.885 2.265 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000415995711 532862701 /nfs/dbraw/zinc/86/27/01/532862701.db2.gz NXNCVEMUOUUIKH-CQSZACIVSA-N 1 0 378.826 2.447 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000289694403 532863297 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Cn1cc(Br)cc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1=O ZINC000333118564 532864186 /nfs/dbraw/zinc/86/41/86/532864186.db2.gz HULUCMKHVHOARM-GFCCVEGCSA-N 1 0 383.290 2.001 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1=O ZINC000333118565 532864309 /nfs/dbraw/zinc/86/43/09/532864309.db2.gz HULUCMKHVHOARM-LBPRGKRZSA-N 1 0 383.290 2.001 20 0 GEADRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(I)cc1 ZINC000289791628 532865054 /nfs/dbraw/zinc/86/50/54/532865054.db2.gz NHCSJLIJFMFNPV-LLVKDONJSA-N 1 0 386.237 2.116 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000333166404 532865470 /nfs/dbraw/zinc/86/54/70/532865470.db2.gz MVIRYJSWYCWIKU-JSGCOSHPSA-N 1 0 388.917 2.462 20 0 GEADRO Cn1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc(Br)c1=O ZINC000333161156 532865419 /nfs/dbraw/zinc/86/54/19/532865419.db2.gz LWNPGWPBAYVKAT-AWEZNQCLSA-N 1 0 383.290 2.144 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000275133510 532865906 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Cc1cccc(Cl)c1S(=O)(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333350516 532867673 /nfs/dbraw/zinc/86/76/73/532867673.db2.gz BAQITRGMQJCNDJ-UHFFFAOYSA-N 1 0 380.901 2.474 20 0 GEADRO CC(C)CN1CCO[C@H](CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000333391203 532868096 /nfs/dbraw/zinc/86/80/96/532868096.db2.gz GZIDETUZZCMWSB-SHARSMKWSA-N 1 0 386.480 2.384 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000289958703 532868662 /nfs/dbraw/zinc/86/86/62/532868662.db2.gz DUMUWCMUWAURJE-UHFFFAOYSA-N 1 0 382.814 2.044 20 0 GEADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C3)cs1 ZINC000333489309 532869234 /nfs/dbraw/zinc/86/92/34/532869234.db2.gz GNGCUVOXOXIXIK-ZDUSSCGKSA-N 1 0 378.523 2.236 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000416297675 532869449 /nfs/dbraw/zinc/86/94/49/532869449.db2.gz AVFTYGDOCJOGGZ-OAHLLOKOSA-N 1 0 394.313 2.264 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000333493008 532869476 /nfs/dbraw/zinc/86/94/76/532869476.db2.gz COIDHIDLICVXHJ-HIFRSBDPSA-N 1 0 384.322 2.209 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000416302292 532870028 /nfs/dbraw/zinc/87/00/28/532870028.db2.gz NVNFABOBWGIXCX-LBPRGKRZSA-N 1 0 380.286 2.012 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C[N@@H+]1CCO ZINC000416304952 532870632 /nfs/dbraw/zinc/87/06/32/532870632.db2.gz ZUCJHDUNZFGYTK-NEPJUHHUSA-N 1 0 385.295 2.097 20 0 GEADRO O=C(c1ccc(F)cc1Br)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333554506 532870782 /nfs/dbraw/zinc/87/07/82/532870782.db2.gz VDMHXWOKJKLTPC-ZDUSSCGKSA-N 1 0 398.276 2.015 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416318918 532870770 /nfs/dbraw/zinc/87/07/70/532870770.db2.gz YCONNKMJRPDLTM-KBPBESRZSA-N 1 0 399.329 2.304 20 0 GEADRO CN(C)c1cc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)ncc1Br ZINC000333693961 532871924 /nfs/dbraw/zinc/87/19/24/532871924.db2.gz QTOAKJWIZATUJP-VXGBXAGGSA-N 1 0 396.289 2.185 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000333720093 532872465 /nfs/dbraw/zinc/87/24/65/532872465.db2.gz GMHBVUQAGNVJEA-WKPIXPDZSA-N 1 0 385.295 2.396 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000416376281 532872999 /nfs/dbraw/zinc/87/29/99/532872999.db2.gz YCNCWDDOJXNRMH-UHFFFAOYSA-N 1 0 386.901 2.279 20 0 GEADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333785991 532873360 /nfs/dbraw/zinc/87/33/60/532873360.db2.gz LRLYFMNWFFPFNX-CZUORRHYSA-N 1 0 384.249 2.417 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000333747118 532873103 /nfs/dbraw/zinc/87/31/03/532873103.db2.gz JNQBIGBMJWBDQR-CVEARBPZSA-N 1 0 382.302 2.487 20 0 GEADRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C1CCS(=O)(=O)CC1 ZINC000275337259 532873138 /nfs/dbraw/zinc/87/31/38/532873138.db2.gz NZWALKFNLHAAGQ-AAEUAGOBSA-N 1 0 388.892 2.387 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000333777492 532873645 /nfs/dbraw/zinc/87/36/45/532873645.db2.gz ULIOVSGQJUBYPG-LLVKDONJSA-N 1 0 396.285 2.335 20 0 GEADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Cl)c1Cl ZINC000333885132 532874789 /nfs/dbraw/zinc/87/47/89/532874789.db2.gz VRLPLSLMDCOHEC-UHFFFAOYSA-N 1 0 392.352 2.488 20 0 GEADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000290174326 532874811 /nfs/dbraw/zinc/87/48/11/532874811.db2.gz DWZWDOSKZUCOJG-RISCZKNCSA-N 1 0 385.482 2.308 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000333891559 532875088 /nfs/dbraw/zinc/87/50/88/532875088.db2.gz YGUSVBWVASWIKZ-HNNXBMFYSA-N 1 0 385.295 2.213 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nc2ccc(Br)cn2n1 ZINC000333904262 532875227 /nfs/dbraw/zinc/87/52/27/532875227.db2.gz CEIIZCNVZVOJED-DGCLKSJQSA-N 1 0 378.274 2.191 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3nc4ccc(Br)cn4n3)C2)CC1 ZINC000333935820 532876031 /nfs/dbraw/zinc/87/60/31/532876031.db2.gz JWRPOTBEMHFDLY-ZDUSSCGKSA-N 1 0 392.301 2.296 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000416404419 532876513 /nfs/dbraw/zinc/87/65/13/532876513.db2.gz ADRFUOYROGWLOD-NWDGAFQWSA-N 1 0 376.906 2.460 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3cccnc32)C[C@H]1[NH+]1CCCC1 ZINC000275528238 532877924 /nfs/dbraw/zinc/87/79/24/532877924.db2.gz WURDFNJFYABMHC-HZPDHXFCSA-N 1 0 377.535 2.435 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417265072 532879450 /nfs/dbraw/zinc/87/94/50/532879450.db2.gz UACOKRNPLYDMFW-KGLIPLIRSA-N 1 0 383.334 2.430 20 0 GEADRO C[C@@H](O)c1ncc(C[NH2+]C[C@@H](O)COc2ccccc2Br)s1 ZINC000290391698 532879461 /nfs/dbraw/zinc/87/94/61/532879461.db2.gz OQNSCGZTOPNNCW-GHMZBOCLSA-N 1 0 387.299 2.488 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417275222 532879491 /nfs/dbraw/zinc/87/94/91/532879491.db2.gz BIGKAZPMXZSEGA-YOEHRIQHSA-N 1 0 395.345 2.069 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)NCCc2ccc(I)s2)[C@H]1C ZINC000417443674 532879739 /nfs/dbraw/zinc/87/97/39/532879739.db2.gz ZJOSEVOMVUNZQW-UWVGGRQHSA-N 1 0 393.294 2.287 20 0 GEADRO CSc1nnc(CNC(=O)NCc2ccccc2OCC[NH+](C)C)s1 ZINC000275514825 532877234 /nfs/dbraw/zinc/87/72/34/532877234.db2.gz UBQHWBLBXLFYDG-UHFFFAOYSA-N 1 0 381.527 2.200 20 0 GEADRO O=C(NCCSc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418918383 532881826 /nfs/dbraw/zinc/88/18/26/532881826.db2.gz VNGGIFMZWNGKGW-GZBFAFLISA-N 1 0 381.929 2.053 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419580352 532881930 /nfs/dbraw/zinc/88/19/30/532881930.db2.gz ZLCXGBACQXGIQC-AGIUHOORSA-N 1 0 384.307 2.109 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000419568978 532882287 /nfs/dbraw/zinc/88/22/87/532882287.db2.gz LUFQXUHYYVCYNT-KTSGXFQWSA-N 1 0 384.307 2.236 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000419725736 532882537 /nfs/dbraw/zinc/88/25/37/532882537.db2.gz JAIFKVTXZQPQNQ-CYBMUJFWSA-N 1 0 386.279 2.001 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)[C@@H]1C[NH3+] ZINC000419725253 532882669 /nfs/dbraw/zinc/88/26/69/532882669.db2.gz IBUDPGZDTKATRZ-JIMOISOXSA-N 1 0 386.279 2.129 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000419725737 532882704 /nfs/dbraw/zinc/88/27/04/532882704.db2.gz JAIFKVTXZQPQNQ-ZDUSSCGKSA-N 1 0 386.279 2.001 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1Cl ZINC000419725304 532882897 /nfs/dbraw/zinc/88/28/97/532882897.db2.gz IGPTZFXCAUFQFG-SFHVURJKSA-N 1 0 380.897 2.301 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419886244 532883024 /nfs/dbraw/zinc/88/30/24/532883024.db2.gz BWZMRMHANLVYST-OAHLLOKOSA-N 1 0 396.329 2.302 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419886631 532883226 /nfs/dbraw/zinc/88/32/26/532883226.db2.gz DJRHBGIAVHXGIS-HUUCEWRRSA-N 1 0 382.302 2.184 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419870256 532883376 /nfs/dbraw/zinc/88/33/76/532883376.db2.gz WVKYJUQGMGPQJS-CQSZACIVSA-N 1 0 394.313 2.056 20 0 GEADRO [NH3+]CC[C@@H](NS(=O)(=O)c1cccc(Br)c1Cl)C(F)F ZINC000420459651 532883497 /nfs/dbraw/zinc/88/34/97/532883497.db2.gz KKKPPZQPSWUDFZ-SSDOTTSWSA-N 1 0 377.638 2.363 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000420456793 532883692 /nfs/dbraw/zinc/88/36/92/532883692.db2.gz HAVVDZUBNVJSKN-AWEZNQCLSA-N 1 0 391.331 2.433 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1I ZINC000420454381 532883759 /nfs/dbraw/zinc/88/37/59/532883759.db2.gz LGAUHGATLHLRIQ-MNOVXSKESA-N 1 0 394.278 2.005 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420454909 532883822 /nfs/dbraw/zinc/88/38/22/532883822.db2.gz FILODIQAHCLHPU-BLLLJJGKSA-N 1 0 386.901 2.279 20 0 GEADRO CC(C)([NH3+])CNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418431253 532880667 /nfs/dbraw/zinc/88/06/67/532880667.db2.gz QOIGCXBNNSNPSL-UHFFFAOYSA-N 1 0 387.297 2.153 20 0 GEADRO CC(C)([NH3+])CNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418427714 532880676 /nfs/dbraw/zinc/88/06/76/532880676.db2.gz LOIATDYPVOOCIW-UHFFFAOYSA-N 1 0 387.297 2.153 20 0 GEADRO C[C@H](NC(=O)C[N@H+](CCO)C1CCOCC1)c1ccc(Br)cc1 ZINC000275647739 532880785 /nfs/dbraw/zinc/88/07/85/532880785.db2.gz WURRMOPAXPUAIJ-ZDUSSCGKSA-N 1 0 385.302 2.100 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000418415439 532880892 /nfs/dbraw/zinc/88/08/92/532880892.db2.gz UKZWACKNTPZDPN-CQSZACIVSA-N 1 0 387.311 2.444 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](O)COc1ccccc1Br ZINC000418472110 532881248 /nfs/dbraw/zinc/88/12/48/532881248.db2.gz SDDYEWZDDHCTFS-OLZOCXBDSA-N 1 0 388.306 2.006 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418440112 532881287 /nfs/dbraw/zinc/88/12/87/532881287.db2.gz KJDZRFWQXYFEOZ-ZBFHGGJFSA-N 1 0 386.334 2.273 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000418461351 532881317 /nfs/dbraw/zinc/88/13/17/532881317.db2.gz IUOBCWXLFNZWAD-ZFWWWQNUSA-N 1 0 386.334 2.417 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Cl)ncc2Br)CCN1CC(C)(C)O ZINC000290680087 532886612 /nfs/dbraw/zinc/88/66/12/532886612.db2.gz HTKOMIPCCSYLBR-SNVBAGLBSA-N 1 0 390.709 2.415 20 0 GEADRO Ic1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)nc1 ZINC000351089772 532887273 /nfs/dbraw/zinc/88/72/73/532887273.db2.gz LRQLVKDDRXWPSU-JQWIXIFHSA-N 1 0 398.204 2.272 20 0 GEADRO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000420940629 532887451 /nfs/dbraw/zinc/88/74/51/532887451.db2.gz MZJVGUXHLPNSFY-VXGBXAGGSA-N 1 0 388.249 2.180 20 0 GEADRO CC1(C)C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@H](CO)O1 ZINC000420942097 532887779 /nfs/dbraw/zinc/88/77/79/532887779.db2.gz PYWUIXTXAZYQTC-GFCCVEGCSA-N 1 0 389.265 2.389 20 0 GEADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000275837363 532884311 /nfs/dbraw/zinc/88/43/11/532884311.db2.gz FHJOTKSTAOGBKL-UHFFFAOYSA-N 1 0 381.782 2.040 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCc3c2cccc3Br)CC1 ZINC000421168231 532889510 /nfs/dbraw/zinc/88/95/10/532889510.db2.gz ADRXDGAOGITEOE-UHFFFAOYSA-N 1 0 394.313 2.327 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[C@H]1N1CCOCC1)c1ccc(F)cc1Cl ZINC000360229957 532889693 /nfs/dbraw/zinc/88/96/93/532889693.db2.gz LIXIUUMZZHQLTK-IUODEOHRSA-N 1 0 376.881 2.258 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421306297 532889737 /nfs/dbraw/zinc/88/97/37/532889737.db2.gz VSIUFNWCEMGPBK-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000276177988 532890176 /nfs/dbraw/zinc/89/01/76/532890176.db2.gz SZMLYGJHGHOPON-LLVKDONJSA-N 1 0 396.285 2.163 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000276069747 532888495 /nfs/dbraw/zinc/88/84/95/532888495.db2.gz LRADDGLNPLUPSM-UHFFFAOYSA-N 1 0 378.217 2.306 20 0 GEADRO C[NH+]1CCC(O)(CNCc2c(Br)cncc2Br)CC1 ZINC000290778428 532889199 /nfs/dbraw/zinc/88/91/99/532889199.db2.gz BXASEEYNAMCSLC-UHFFFAOYSA-N 1 0 393.123 2.153 20 0 GEADRO COc1cc(Br)c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1O ZINC000360673569 532890722 /nfs/dbraw/zinc/89/07/22/532890722.db2.gz RHZGQUCIVNJGAZ-HNNXBMFYSA-N 1 0 398.345 2.375 20 0 GEADRO O=C(Nc1cc(Cl)ccc1F)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000360852640 532891129 /nfs/dbraw/zinc/89/11/29/532891129.db2.gz UZHXMFQABIGOEB-CYBMUJFWSA-N 1 0 389.880 2.252 20 0 GEADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)Nc1ccc(Br)cc1 ZINC000360913757 532891301 /nfs/dbraw/zinc/89/13/01/532891301.db2.gz RTZBSGBBIMWOFR-IAGOWNOFSA-N 1 0 396.329 2.309 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1O ZINC000361054091 532891921 /nfs/dbraw/zinc/89/19/21/532891921.db2.gz SZLVMDHJSWXIPH-GJZGRUSLSA-N 1 0 385.302 2.194 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000422268998 532892025 /nfs/dbraw/zinc/89/20/25/532892025.db2.gz KZCBGRAQKMVFNC-UONOGXRCSA-N 1 0 396.329 2.474 20 0 GEADRO O[C@H](CNCc1c(Br)cncc1Br)C[NH+]1CCCC1 ZINC000290906770 532892221 /nfs/dbraw/zinc/89/22/21/532892221.db2.gz OPIQRSLNKCTMIG-SNVBAGLBSA-N 1 0 393.123 2.153 20 0 GEADRO Cc1cc(Br)oc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000361201713 532892566 /nfs/dbraw/zinc/89/25/66/532892566.db2.gz OFVIPCNHGGGQQD-ZIAGYGMSSA-N 1 0 384.318 2.449 20 0 GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000360695955 532890571 /nfs/dbraw/zinc/89/05/71/532890571.db2.gz BKCTXCNVAXOVIM-QGZVFWFLSA-N 1 0 384.293 2.231 20 0 GEADRO COCCC[N@@H+]1CCCN(C(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000360681215 532890685 /nfs/dbraw/zinc/89/06/85/532890685.db2.gz OSGCCFCFMUVVDL-UHFFFAOYSA-N 1 0 386.290 2.037 20 0 GEADRO CSC1(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)CCC1 ZINC000290942568 532893078 /nfs/dbraw/zinc/89/30/78/532893078.db2.gz UCVLFUFGKPLEBZ-UHFFFAOYSA-N 1 0 384.567 2.224 20 0 GEADRO Clc1nccc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)c1Cl ZINC000290932278 532893243 /nfs/dbraw/zinc/89/32/43/532893243.db2.gz SDSYWPIMAYOFJT-UHFFFAOYSA-N 1 0 381.311 2.480 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423086884 532893361 /nfs/dbraw/zinc/89/33/61/532893361.db2.gz MVGRGPFKGZCUJX-HZPDHXFCSA-N 1 0 393.285 2.018 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC[C@H]1[NH3+] ZINC000423079345 532893400 /nfs/dbraw/zinc/89/34/00/532893400.db2.gz QOFSUTXUYCLKLH-BLLLJJGKSA-N 1 0 394.313 2.136 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000423079240 532893441 /nfs/dbraw/zinc/89/34/41/532893441.db2.gz QHJAFXIKRXSCLE-OCCSQVGLSA-N 1 0 394.313 2.136 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000423100919 532893986 /nfs/dbraw/zinc/89/39/86/532893986.db2.gz NALGUXGZLQBXJS-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000423100023 532894003 /nfs/dbraw/zinc/89/40/03/532894003.db2.gz BFGXMYMUSAUDHB-HNNXBMFYSA-N 1 0 380.286 2.062 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423100563 532894107 /nfs/dbraw/zinc/89/41/07/532894107.db2.gz HCPXJUYCBGQWSE-UHFFFAOYSA-N 1 0 380.290 2.326 20 0 GEADRO C[C@H]1CCN(C(=O)COc2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000424026246 532894699 /nfs/dbraw/zinc/89/46/99/532894699.db2.gz XGUJTBMAIJOLDR-RYUDHWBXSA-N 1 0 388.249 2.113 20 0 GEADRO Cc1cc(C(=O)N2CCC(O)(C[NH3+])CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000424059752 532895120 /nfs/dbraw/zinc/89/51/20/532895120.db2.gz PAPSBHUXOHDUPB-UHFFFAOYSA-N 1 0 383.279 2.413 20 0 GEADRO [NH3+]CC1(O)CCN(C(=O)CSCc2ccc(Br)cc2F)CC1 ZINC000424056462 532895418 /nfs/dbraw/zinc/89/54/18/532895418.db2.gz KVDMYVUWFRSQHC-UHFFFAOYSA-N 1 0 391.306 2.134 20 0 GEADRO Cn1nnnc1N1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000362292354 532895483 /nfs/dbraw/zinc/89/54/83/532895483.db2.gz AGUPUROKRDFTRA-HNNXBMFYSA-N 1 0 377.290 2.219 20 0 GEADRO C[C@@H]([NH2+]C1CCN(Cc2cscn2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000362633264 532896721 /nfs/dbraw/zinc/89/67/21/532896721.db2.gz FBTCJSCIBHBAEB-CYBMUJFWSA-N 1 0 380.539 2.106 20 0 GEADRO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CCc1cccc(Br)c1 ZINC000291150487 532896821 /nfs/dbraw/zinc/89/68/21/532896821.db2.gz DQHPLILXHYXPEI-CYBMUJFWSA-N 1 0 396.329 2.036 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000291155213 532897600 /nfs/dbraw/zinc/89/76/00/532897600.db2.gz JXXGDUPUKLUXCA-BXUZGUMPSA-N 1 0 385.306 2.003 20 0 GEADRO O=C(c1cc2c(s1)CCCC2)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000363558254 532899249 /nfs/dbraw/zinc/89/92/49/532899249.db2.gz PQNCPOMDLTZAFA-HNNXBMFYSA-N 1 0 382.551 2.008 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000363535406 532899301 /nfs/dbraw/zinc/89/93/01/532899301.db2.gz IHEVCEPPWBCXKG-GFCCVEGCSA-N 1 0 398.301 2.021 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cncc(Br)c1 ZINC000363540921 532899338 /nfs/dbraw/zinc/89/93/38/532899338.db2.gz CSFZSGLKVQCEIT-DAXOMENPSA-N 1 0 382.302 2.463 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cnc2Br)C1 ZINC000291269280 532899488 /nfs/dbraw/zinc/89/94/88/532899488.db2.gz HDCDYYBHCHDEHG-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)C[C@H]21 ZINC000363667967 532900271 /nfs/dbraw/zinc/90/02/71/532900271.db2.gz ANUQVBKHSIPJGE-ZKYQVNSYSA-N 1 0 381.270 2.420 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000291205819 532898453 /nfs/dbraw/zinc/89/84/53/532898453.db2.gz AXPLSGFEJXFIAS-ZDUSSCGKSA-N 1 0 395.301 2.035 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000363443616 532898792 /nfs/dbraw/zinc/89/87/92/532898792.db2.gz XHBBLZDLXRWXIV-BMFZPTHFSA-N 1 0 376.881 2.351 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000363535717 532899141 /nfs/dbraw/zinc/89/91/41/532899141.db2.gz ULCKMGYZTKDTSD-HYVNUMGLSA-N 1 0 390.908 2.492 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000291470335 532902566 /nfs/dbraw/zinc/90/25/66/532902566.db2.gz KQRDOSLEVPCKIF-CYBMUJFWSA-N 1 0 397.317 2.185 20 0 GEADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000363751271 532900623 /nfs/dbraw/zinc/90/06/23/532900623.db2.gz OPZLGZUMPCNQHA-KKUMJFAQSA-N 1 0 397.313 2.179 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000363820840 532901506 /nfs/dbraw/zinc/90/15/06/532901506.db2.gz KBOOFEPZHLYMDS-MRXNPFEDSA-N 1 0 384.498 2.364 20 0 GEADRO CCCn1ccnc1CCCN(C)S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000276940075 532903760 /nfs/dbraw/zinc/90/37/60/532903760.db2.gz APJJOMHMYBJMFS-UHFFFAOYSA-N 1 0 385.511 2.395 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364262165 532905655 /nfs/dbraw/zinc/90/56/55/532905655.db2.gz AWDZADQNSQKIFX-CQSZACIVSA-N 1 0 395.345 2.393 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000291584255 532904599 /nfs/dbraw/zinc/90/45/99/532904599.db2.gz YAKSADXFNUJRJQ-ZDUSSCGKSA-N 1 0 397.317 2.424 20 0 GEADRO O=C(c1cccc(Br)c1F)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000277004683 532905730 /nfs/dbraw/zinc/90/57/30/532905730.db2.gz AWKRGWFSYSZFEF-UHFFFAOYSA-N 1 0 384.293 2.442 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)C1CCS(=O)(=O)CC1 ZINC000277007619 532905926 /nfs/dbraw/zinc/90/59/26/532905926.db2.gz BJCKDFQNZSBGAY-VQIMIIECSA-N 1 0 382.595 2.407 20 0 GEADRO Cc1ccc(Cl)c(NC(=O)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000364285551 532906068 /nfs/dbraw/zinc/90/60/68/532906068.db2.gz ZREBUWYLQFVWLV-AWEZNQCLSA-N 1 0 385.917 2.421 20 0 GEADRO CS(=O)(=O)CCCCCNC(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000364368458 532906299 /nfs/dbraw/zinc/90/62/99/532906299.db2.gz HLZAOKOIGPVDJS-UHFFFAOYSA-N 1 0 387.571 2.227 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000291651715 532906424 /nfs/dbraw/zinc/90/64/24/532906424.db2.gz DWTQAWBQIPTENZ-TZMCWYRMSA-N 1 0 395.301 2.034 20 0 GEADRO C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000364380855 532906514 /nfs/dbraw/zinc/90/65/14/532906514.db2.gz SFFZBYKWJLABOQ-AWEZNQCLSA-N 1 0 385.295 2.492 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000364604134 532907233 /nfs/dbraw/zinc/90/72/33/532907233.db2.gz SCPBATBQFQXVCY-UGSOOPFHSA-N 1 0 382.291 2.277 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364618317 532907244 /nfs/dbraw/zinc/90/72/44/532907244.db2.gz XHVZMIIBGOWSMS-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO COC1(C[NH2+]CCCNC(=O)c2cccc(Br)c2)CCOCC1 ZINC000277061603 532907278 /nfs/dbraw/zinc/90/72/78/532907278.db2.gz RLLDMVHQYQPENF-UHFFFAOYSA-N 1 0 385.302 2.354 20 0 GEADRO CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000364639592 532907512 /nfs/dbraw/zinc/90/75/12/532907512.db2.gz CPRATMWETCRSPZ-LBPRGKRZSA-N 1 0 389.315 2.067 20 0 GEADRO C[C@H]1C[N@H+](CCCNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CCCO1 ZINC000365318538 532909721 /nfs/dbraw/zinc/90/97/21/532909721.db2.gz WFFSVFQOLVCXBA-GUYCJALGSA-N 1 0 397.313 2.370 20 0 GEADRO Cc1c(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)nnn1-c1cccc(Br)c1 ZINC000365371271 532910137 /nfs/dbraw/zinc/91/01/37/532910137.db2.gz HFSMRPNONZWYCH-IUODEOHRSA-N 1 0 390.285 2.162 20 0 GEADRO CC(C)S(=O)(=O)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000291748841 532908340 /nfs/dbraw/zinc/90/83/40/532908340.db2.gz GVHARAUVZVSSDU-OAHLLOKOSA-N 1 0 375.922 2.065 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000292048999 532912477 /nfs/dbraw/zinc/91/24/77/532912477.db2.gz SIXCGGPVAYJMAY-SECBINFHSA-N 1 0 381.951 2.208 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)c1cccn2c(I)cnc12 ZINC000292076873 532912725 /nfs/dbraw/zinc/91/27/25/532912725.db2.gz LRBBLBTXIBKFPD-JTQLQIEISA-N 1 0 386.237 2.186 20 0 GEADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)C[NH+](C)C ZINC000292396515 532916122 /nfs/dbraw/zinc/91/61/22/532916122.db2.gz NZCGFEPFLZIPQA-CQSZACIVSA-N 1 0 387.571 2.096 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000292103323 532913253 /nfs/dbraw/zinc/91/32/53/532913253.db2.gz SAENHXWYXCHLQR-OCCSQVGLSA-N 1 0 395.301 2.176 20 0 GEADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365954396 532913258 /nfs/dbraw/zinc/91/32/58/532913258.db2.gz VGOXGBKQABAZCF-UHFFFAOYSA-N 1 0 376.404 2.234 20 0 GEADRO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292142500 532913704 /nfs/dbraw/zinc/91/37/04/532913704.db2.gz JOYVCIRHJYPXTF-LBPRGKRZSA-N 1 0 394.324 2.288 20 0 GEADRO Cc1nn(C)c(CNC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1Br ZINC000366099798 532914457 /nfs/dbraw/zinc/91/44/57/532914457.db2.gz UNPOCBGMMNZWJP-HOTGVXAUSA-N 1 0 393.329 2.216 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000366407823 532916821 /nfs/dbraw/zinc/91/68/21/532916821.db2.gz ISHRACZRUFYSQM-ZFWWWQNUSA-N 1 0 381.318 2.271 20 0 GEADRO C[C@H](OC[C@H](O)CN1CC[C@H](CS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000366416089 532917219 /nfs/dbraw/zinc/91/72/19/532917219.db2.gz GBVKNNLJBAXBHI-GRDNDAEWSA-N 1 0 375.918 2.145 20 0 GEADRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000366499222 532918051 /nfs/dbraw/zinc/91/80/51/532918051.db2.gz FAQNDFQEACXRKW-ZQDZILKHSA-N 1 0 378.510 2.279 20 0 GEADRO Cn1ncc(I)c1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000292821575 532918969 /nfs/dbraw/zinc/91/89/69/532918969.db2.gz OMKVSEPWYMWQHT-NSHDSACASA-N 1 0 392.285 2.121 20 0 GEADRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000366934044 532922256 /nfs/dbraw/zinc/92/22/56/532922256.db2.gz NPPKAALJJCWSQG-JMPLFQLZSA-N 1 0 380.286 2.423 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)COc1ccc(I)cc1 ZINC000292849079 532919337 /nfs/dbraw/zinc/91/93/37/532919337.db2.gz CUBOATYWXASFRM-NSHDSACASA-N 1 0 376.238 2.304 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000366649251 532919895 /nfs/dbraw/zinc/91/98/95/532919895.db2.gz CGIXUPVCOXLPGG-HOTGVXAUSA-N 1 0 390.908 2.230 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000366659462 532919978 /nfs/dbraw/zinc/91/99/78/532919978.db2.gz XQKISVYLVFMIIM-KBPBESRZSA-N 1 0 376.881 2.089 20 0 GEADRO COCC1(C(=O)N2CCO[C@H](c3ccccc3Br)C2)CC[NH2+]CC1 ZINC000366857455 532921554 /nfs/dbraw/zinc/92/15/54/532921554.db2.gz LJPVOXOKILWDPG-INIZCTEOSA-N 1 0 397.313 2.365 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293061018 532921700 /nfs/dbraw/zinc/92/17/00/532921700.db2.gz ILJZBENQQQNOHE-FZMZJTMJSA-N 1 0 388.249 2.465 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000293315877 532925118 /nfs/dbraw/zinc/92/51/18/532925118.db2.gz HISBLWBPDRKJNA-CQSZACIVSA-N 1 0 393.285 2.085 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(C)c1Cl ZINC000367476596 532925397 /nfs/dbraw/zinc/92/53/97/532925397.db2.gz WARKLJBXMWORIS-OAHLLOKOSA-N 1 0 392.930 2.261 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1Br ZINC000293128317 532922389 /nfs/dbraw/zinc/92/23/89/532922389.db2.gz FOVMRHLRMYOJTO-KRWDZBQOSA-N 1 0 380.286 2.250 20 0 GEADRO CSc1nc2ncnc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2s1 ZINC000367199063 532923558 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VQNNPBRXBSDBNO-ZDUSSCGKSA-N 1 0 390.373 2.362 20 0 GEADRO O=C(C[N@@H+](CCO)[C@@H]1CCCc2ccccc21)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737862753 598917440 /nfs/dbraw/zinc/91/74/40/598917440.db2.gz BALKXXSXJOZYNN-LJQANCHMSA-N 1 0 392.463 2.177 20 0 GEADRO OC[C@]1([NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)CCCN(Cc2ccccc2)C1 ZINC000738395200 598918527 /nfs/dbraw/zinc/91/85/27/598918527.db2.gz WZIDEWSFFDQEJG-NRFANRHFSA-N 1 0 396.470 2.123 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)CCOc1ccccc1F ZINC000737032634 598980819 /nfs/dbraw/zinc/98/08/19/598980819.db2.gz MWBNTKJURIDVMB-UHFFFAOYSA-N 1 0 387.415 2.404 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000737032635 598983495 /nfs/dbraw/zinc/98/34/95/598983495.db2.gz NARJFSKCIAAAPM-UHFFFAOYSA-N 1 0 388.516 2.308 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000737032134 598984948 /nfs/dbraw/zinc/98/49/48/598984948.db2.gz DPBXKWIZUXFPAT-HXUWFJFHSA-N 1 0 395.463 2.500 20 0 GEADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000737371319 598986488 /nfs/dbraw/zinc/98/64/88/598986488.db2.gz BPHZDHVIUNCYSK-MAUKXSAKSA-N 1 0 375.436 2.018 20 0 GEADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000737371320 598986683 /nfs/dbraw/zinc/98/66/83/598986683.db2.gz BPHZDHVIUNCYSK-QAPCUYQASA-N 1 0 375.436 2.018 20 0 GEADRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736614935 598994451 /nfs/dbraw/zinc/99/44/51/598994451.db2.gz WHFPBWULLRVGLU-IAGOWNOFSA-N 1 0 384.484 2.475 20 0 GEADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736529917 599005911 /nfs/dbraw/zinc/00/59/11/599005911.db2.gz BJYDQBVVNRLWPC-UHFFFAOYSA-N 1 0 379.468 2.246 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000736238787 599016736 /nfs/dbraw/zinc/01/67/36/599016736.db2.gz DHNZBCKKIHCKGM-CGZBRXJRSA-N 1 0 398.511 2.357 20 0 GEADRO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736756471 599028616 /nfs/dbraw/zinc/02/86/16/599028616.db2.gz JBJITTJMXAIZJU-GOSISDBHSA-N 1 0 392.463 2.222 20 0 GEADRO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822206085 599046984 /nfs/dbraw/zinc/04/69/84/599046984.db2.gz UGMWQGOXZADJSV-HNNXBMFYSA-N 1 0 386.463 2.427 20 0 GEADRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000736149683 599047763 /nfs/dbraw/zinc/04/77/63/599047763.db2.gz VYUBLJFQEOISTO-OAHLLOKOSA-N 1 0 380.452 2.078 20 0 GEADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736129345 599049821 /nfs/dbraw/zinc/04/98/21/599049821.db2.gz DFSZKGFQOUOEKS-JQWOWJDXSA-N 1 0 390.875 2.250 20 0 GEADRO C[N@H+](CCCO)C1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000736796845 599060240 /nfs/dbraw/zinc/06/02/40/599060240.db2.gz CIGQOSRHQLJXNC-UHFFFAOYSA-N 1 0 384.406 2.169 20 0 GEADRO Cc1csc([C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737455749 599072687 /nfs/dbraw/zinc/07/26/87/599072687.db2.gz WTBFPCYSJCKTJI-CABCVRRESA-N 1 0 383.481 2.038 20 0 GEADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736804760 599074649 /nfs/dbraw/zinc/07/46/49/599074649.db2.gz UJAMBOUHFGQULH-SFHVURJKSA-N 1 0 392.463 2.373 20 0 GEADRO CN(C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](C)C1 ZINC000736856723 599104378 /nfs/dbraw/zinc/10/43/78/599104378.db2.gz MLPVUSSKVWKQRE-INIZCTEOSA-N 1 0 396.451 2.205 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC[N@@H+]1C ZINC000736234987 599105790 /nfs/dbraw/zinc/10/57/90/599105790.db2.gz LFTBLAUTJKVDNL-CJNGLKHVSA-N 1 0 393.451 2.267 20 0 GEADRO CN(C)c1cccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000736781402 599123872 /nfs/dbraw/zinc/12/38/72/599123872.db2.gz ZKHCZURCROEMDT-UHFFFAOYSA-N 1 0 381.459 2.394 20 0 GEADRO c1ccc(OCCCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000738434287 599132195 /nfs/dbraw/zinc/13/21/95/599132195.db2.gz CEPMISJIRXQLCV-UHFFFAOYSA-N 1 0 379.468 2.243 20 0 GEADRO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCN1C ZINC000736231785 599135312 /nfs/dbraw/zinc/13/53/12/599135312.db2.gz XTAUFILVROBSLC-JSGCOSHPSA-N 1 0 391.907 2.263 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000736189952 599220861 /nfs/dbraw/zinc/22/08/61/599220861.db2.gz UYEHJHNCHAXRER-WBVHZDCISA-N 1 0 393.447 2.452 20 0 GEADRO O=C(COc1cccc(-c2nn[nH]n2)c1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000737925829 599222002 /nfs/dbraw/zinc/22/20/02/599222002.db2.gz YZVQQHAHNOZHPB-SFHVURJKSA-N 1 0 379.420 2.063 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821189411 607262656 /nfs/dbraw/zinc/26/26/56/607262656.db2.gz LOSWLPKTCMEHTL-UHFFFAOYSA-N 1 0 379.896 2.355 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736290836 599235399 /nfs/dbraw/zinc/23/53/99/599235399.db2.gz CKCWUFVMDROWEF-OCCSQVGLSA-N 1 0 389.891 2.017 20 0 GEADRO CCC[N@H+](CCO)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736479994 599249103 /nfs/dbraw/zinc/24/91/03/599249103.db2.gz OWILVLGUNHXKRO-UHFFFAOYSA-N 1 0 392.529 2.230 20 0 GEADRO C[C@H]1CCC[C@H](C)[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000736249329 599251117 /nfs/dbraw/zinc/25/11/17/599251117.db2.gz KLGNOGKUOBTHPN-GJZGRUSLSA-N 1 0 397.483 2.099 20 0 GEADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000824046273 608325132 /nfs/dbraw/zinc/32/51/32/608325132.db2.gz RVJDBJLFYQXTRS-OAGGEKHMSA-N 1 0 384.484 2.332 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)cc1 ZINC000821587212 607299124 /nfs/dbraw/zinc/29/91/24/607299124.db2.gz LTBYSSVZRKJMTR-UHFFFAOYSA-N 1 0 387.831 2.108 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000821623070 599276794 /nfs/dbraw/zinc/27/67/94/599276794.db2.gz BQPLUJCUOBCWDD-LLVKDONJSA-N 1 0 395.414 2.274 20 0 GEADRO CC(C)[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736135371 599286297 /nfs/dbraw/zinc/28/62/97/599286297.db2.gz XWJRLEMQWIWMDN-GFCCVEGCSA-N 1 0 391.907 2.310 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000820131787 599288268 /nfs/dbraw/zinc/28/82/68/599288268.db2.gz FFQQEPJAKOKPKC-UHFFFAOYSA-N 1 0 383.378 2.443 20 0 GEADRO CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC000736701359 599292396 /nfs/dbraw/zinc/29/23/96/599292396.db2.gz AJRFELYEZKIXPY-KRWDZBQOSA-N 1 0 395.467 2.040 20 0 GEADRO C[C@@H]1CCC[C@H]([N@H+](C)CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736247496 598233158 /nfs/dbraw/zinc/23/31/58/598233158.db2.gz FEXHQWUJHGIVNR-JOTOCRJQSA-N 1 0 397.483 2.102 20 0 GEADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737891393 598246561 /nfs/dbraw/zinc/24/65/61/598246561.db2.gz KZYMMDJEDAFYMA-UHFFFAOYSA-N 1 0 380.427 2.291 20 0 GEADRO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736278703 598250203 /nfs/dbraw/zinc/25/02/03/598250203.db2.gz UPMVHVKQCBBLHV-MRXNPFEDSA-N 1 0 398.511 2.357 20 0 GEADRO c1cn(-c2ccc(C[NH+]3CCN(c4ccccc4-c4nn[nH]n4)CC3)cc2)cn1 ZINC000738436493 598253999 /nfs/dbraw/zinc/25/39/99/598253999.db2.gz RTHWJTOXKWSYAS-UHFFFAOYSA-N 1 0 386.463 2.375 20 0 GEADRO CC(C)COC(=O)N1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000735839440 598254663 /nfs/dbraw/zinc/25/46/63/598254663.db2.gz UUNIFPLKKOIYTN-UHFFFAOYSA-N 1 0 397.483 2.420 20 0 GEADRO Cc1ccccc1[C@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737420740 598255302 /nfs/dbraw/zinc/25/53/02/598255302.db2.gz HBOSUMOOINLIIP-ROUUACIJSA-N 1 0 379.464 2.404 20 0 GEADRO Cc1ccc([C@H](CNC(=O)NCc2cccc(-c3nn[nH]n3)c2)[NH+]2CCCC2)o1 ZINC000737320746 598285381 /nfs/dbraw/zinc/28/53/81/598285381.db2.gz OWJSDZZNLVBAMG-KRWDZBQOSA-N 1 0 395.467 2.404 20 0 GEADRO Cc1ccc([C@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)[NH+]2CCCC2)o1 ZINC000737320950 598288321 /nfs/dbraw/zinc/28/83/21/598288321.db2.gz RUIPUJXHKTXKOW-KRWDZBQOSA-N 1 0 395.467 2.133 20 0 GEADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735685135 598299646 /nfs/dbraw/zinc/29/96/46/598299646.db2.gz PAERFCXNLWPBMB-HNNXBMFYSA-N 1 0 381.484 2.104 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000738099882 598301155 /nfs/dbraw/zinc/30/11/55/598301155.db2.gz JPRXJPDWPBGETF-SFHVURJKSA-N 1 0 380.427 2.287 20 0 GEADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CNc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736276821 598301360 /nfs/dbraw/zinc/30/13/60/598301360.db2.gz QQMYBHAOOBBTKU-KRWDZBQOSA-N 1 0 397.527 2.249 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CCCCCC1 ZINC000736757868 598317832 /nfs/dbraw/zinc/31/78/32/598317832.db2.gz YFGPPSIENZLVMG-UHFFFAOYSA-N 1 0 389.479 2.460 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000738075766 598330802 /nfs/dbraw/zinc/33/08/02/598330802.db2.gz PKKCRXHSPUAEHA-UHFFFAOYSA-N 1 0 396.451 2.254 20 0 GEADRO CCC1(C)CC[NH+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736397281 598334320 /nfs/dbraw/zinc/33/43/20/598334320.db2.gz QTHKSTVOJFWFTE-UHFFFAOYSA-N 1 0 397.483 2.101 20 0 GEADRO C[C@H]1CCC[C@@H]([N@H+](C)CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000736253976 598334551 /nfs/dbraw/zinc/33/45/51/598334551.db2.gz WZHXAVKHFUAFHS-GOEBONIOSA-N 1 0 397.483 2.099 20 0 GEADRO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)C2)c1 ZINC000737441855 598355642 /nfs/dbraw/zinc/35/56/42/598355642.db2.gz CPPMNGCSZYMBNQ-ZDUSSCGKSA-N 1 0 386.485 2.099 20 0 GEADRO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737444808 598355865 /nfs/dbraw/zinc/35/58/65/598355865.db2.gz PKIOTZGVVPSGNB-KRWDZBQOSA-N 1 0 380.456 2.037 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736534543 598357529 /nfs/dbraw/zinc/35/75/29/598357529.db2.gz QLNDUMQVLSRUAP-CQSZACIVSA-N 1 0 398.467 2.499 20 0 GEADRO Clc1cc(-c2nn[nH]n2)cnc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000737556967 598387147 /nfs/dbraw/zinc/38/71/47/598387147.db2.gz ALXMQAVQJDGMAF-UHFFFAOYSA-N 1 0 398.902 2.145 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000735875228 598427817 /nfs/dbraw/zinc/42/78/17/598427817.db2.gz QBWURTFXZHCOTM-UHFFFAOYSA-N 1 0 383.500 2.414 20 0 GEADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736857076 598463375 /nfs/dbraw/zinc/46/33/75/598463375.db2.gz RXKVQBGHOPFYRG-UHFFFAOYSA-N 1 0 378.440 2.020 20 0 GEADRO C[C@]1([NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCCc2ccccc21 ZINC000736222490 598486533 /nfs/dbraw/zinc/48/65/33/598486533.db2.gz HSPRZBMSQPZLCU-UTKZUKDTSA-N 1 0 379.464 2.448 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C12CC3CC(CC(C3)C1)C2 ZINC000736135840 598517083 /nfs/dbraw/zinc/51/70/83/598517083.db2.gz QDYASSUYYKOKTP-VGGFTTENSA-N 1 0 382.516 2.299 20 0 GEADRO CC(C)(C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(Cl)c1 ZINC000735670107 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O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737894782 598668992 /nfs/dbraw/zinc/66/89/92/598668992.db2.gz KHUGPZCSANPCHJ-KRWDZBQOSA-N 1 0 397.527 2.393 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736799200 598670145 /nfs/dbraw/zinc/67/01/45/598670145.db2.gz PBHWWSSMULMGMA-UHFFFAOYSA-N 1 0 396.451 2.207 20 0 GEADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738051109 598672784 /nfs/dbraw/zinc/67/27/84/598672784.db2.gz ZFGIKKSRWWJRPF-QGZVFWFLSA-N 1 0 376.464 2.161 20 0 GEADRO COc1ccc2c(c1)CCC[N@@H+](C[C@@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000737120053 598685258 /nfs/dbraw/zinc/68/52/58/598685258.db2.gz YULZTRNXXINIBM-GOSISDBHSA-N 1 0 395.463 2.063 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736856619 598689990 /nfs/dbraw/zinc/68/99/90/598689990.db2.gz KYRSZQOXCXKBCP-CQSZACIVSA-N 1 0 393.451 2.126 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000735856123 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XXBVBNPJUKZQRR-GOSISDBHSA-N 1 0 378.436 2.293 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000823303887 599293741 /nfs/dbraw/zinc/29/37/41/599293741.db2.gz XSBWRQSUSDGLBY-LBPRGKRZSA-N 1 0 395.389 2.491 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCO2 ZINC000820418927 599301366 /nfs/dbraw/zinc/30/13/66/599301366.db2.gz CPYGIRMOCZCJQW-GFCCVEGCSA-N 1 0 380.408 2.275 20 0 GEADRO Cc1cc(C)cc([C@H](O)C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000822196510 599304516 /nfs/dbraw/zinc/30/45/16/599304516.db2.gz LUXQMVYWKDZWKI-LJQANCHMSA-N 1 0 396.470 2.478 20 0 GEADRO CCOCCCNC(=O)C1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736615813 599310317 /nfs/dbraw/zinc/31/03/17/599310317.db2.gz OEVXNRAJOFGXLL-OAHLLOKOSA-N 1 0 386.500 2.183 20 0 GEADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000736196638 599316919 /nfs/dbraw/zinc/31/69/19/599316919.db2.gz LEALGAKSCLTCPG-JXFKEZNVSA-N 1 0 378.480 2.279 20 0 GEADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000736196641 599316928 /nfs/dbraw/zinc/31/69/28/599316928.db2.gz LEALGAKSCLTCPG-OXQOHEQNSA-N 1 0 378.480 2.279 20 0 GEADRO Cc1nn(C)c(C)c1CN1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737509764 599317796 /nfs/dbraw/zinc/31/77/96/599317796.db2.gz JMIHJCUPCSQFGE-OAHLLOKOSA-N 1 0 380.500 2.096 20 0 GEADRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)ncn1 ZINC000736887246 599318226 /nfs/dbraw/zinc/31/82/26/599318226.db2.gz LURVPECSPODHID-XJKSGUPXSA-N 1 0 379.472 2.018 20 0 GEADRO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736103028 599341337 /nfs/dbraw/zinc/34/13/37/599341337.db2.gz VKUFFWXVQFQSIX-HNNXBMFYSA-N 1 0 384.484 2.079 20 0 GEADRO CCN(CC)C(=O)C1([NH2+]CCOc2ccccc2-c2nn[nH]n2)CCCCC1 ZINC000736523862 599354689 /nfs/dbraw/zinc/35/46/89/599354689.db2.gz RZZDWYOQBOYNEM-UHFFFAOYSA-N 1 0 386.500 2.406 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc(Cl)cn1 ZINC000736767829 599372855 /nfs/dbraw/zinc/37/28/55/599372855.db2.gz SLUJQCLZSHYSGG-UHFFFAOYSA-N 1 0 385.859 2.119 20 0 GEADRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821898180 599390380 /nfs/dbraw/zinc/39/03/80/599390380.db2.gz NPDKKAWDJJDKBI-ZIAGYGMSSA-N 1 0 380.452 2.231 20 0 GEADRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000821804875 599395975 /nfs/dbraw/zinc/39/59/75/599395975.db2.gz QJNUXTAAKJJLGN-UHFFFAOYSA-N 1 0 392.463 2.270 20 0 GEADRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)ccc3-c3nn[nH]n3)cn2)CC1 ZINC000736868555 599401453 /nfs/dbraw/zinc/40/14/53/599401453.db2.gz SUTIGLAMYMHQNG-UHFFFAOYSA-N 1 0 384.875 2.279 20 0 GEADRO CCCNC(=O)c1cccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821118117 599406588 /nfs/dbraw/zinc/40/65/88/599406588.db2.gz HMZGSMDMDKWNJY-UHFFFAOYSA-N 1 0 380.452 2.305 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(NC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000737633278 599441766 /nfs/dbraw/zinc/44/17/66/599441766.db2.gz PWIRSSFDYQLNEX-LLVKDONJSA-N 1 0 397.405 2.193 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821809774 599442319 /nfs/dbraw/zinc/44/23/19/599442319.db2.gz RTVNAOFFKYGLRK-HNAYVOBHSA-N 1 0 393.495 2.271 20 0 GEADRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820259721 599445439 /nfs/dbraw/zinc/44/54/39/599445439.db2.gz BPHXORFXXKBEEQ-KRWDZBQOSA-N 1 0 377.496 2.167 20 0 GEADRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C(C)(C)CO)c1-c1nn[nH]n1 ZINC000737202137 599445903 /nfs/dbraw/zinc/44/59/03/599445903.db2.gz KPCYHGACTMQVPQ-UHFFFAOYSA-N 1 0 389.504 2.041 20 0 GEADRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821854833 599449833 /nfs/dbraw/zinc/44/98/33/599449833.db2.gz XHABDOGCGBBWRD-INIZCTEOSA-N 1 0 377.408 2.136 20 0 GEADRO Clc1cccc(C2CC([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)c1 ZINC000822586418 599450692 /nfs/dbraw/zinc/45/06/92/599450692.db2.gz YBVPYDMMNFRHOB-NUYPLMSZSA-N 1 0 384.875 2.294 20 0 GEADRO C[NH+]1CCN(CCOc2ccc(NCc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000821627336 599462687 /nfs/dbraw/zinc/46/26/87/599462687.db2.gz XLMKUPMSARDDQK-UHFFFAOYSA-N 1 0 393.495 2.105 20 0 GEADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736230892 599477450 /nfs/dbraw/zinc/47/74/50/599477450.db2.gz ABZWSONXMGTRAJ-RDTXWAMCSA-N 1 0 394.454 2.500 20 0 GEADRO FC(F)Oc1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737639091 599483397 /nfs/dbraw/zinc/48/33/97/599483397.db2.gz NLUWAUYUTVFNID-UHFFFAOYSA-N 1 0 385.378 2.448 20 0 GEADRO Cc1ccc([C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N(C)C)cc1 ZINC000737318766 599486546 /nfs/dbraw/zinc/48/65/46/599486546.db2.gz FBNCXKDKAOHNAX-GOSISDBHSA-N 1 0 376.468 2.215 20 0 GEADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000736480757 599492794 /nfs/dbraw/zinc/49/27/94/599492794.db2.gz NDWPYMOMHSTMQD-GOSISDBHSA-N 1 0 383.500 2.273 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCC1([NH+]2CCCC2)CCOCC1 ZINC000822334721 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ZINC000825391180 608314007 /nfs/dbraw/zinc/31/40/07/608314007.db2.gz WEJBCHNJKDFBRL-INIZCTEOSA-N 1 0 380.500 2.134 20 0 GEADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000824046272 608325549 /nfs/dbraw/zinc/32/55/49/608325549.db2.gz RVJDBJLFYQXTRS-BZUAXINKSA-N 1 0 384.484 2.332 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000825860385 608330358 /nfs/dbraw/zinc/33/03/58/608330358.db2.gz QWFRNDMGBWNJLO-UHFFFAOYSA-N 1 0 389.479 2.269 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000825459965 608337296 /nfs/dbraw/zinc/33/72/96/608337296.db2.gz PBPGDBHHXYMVDX-UHFFFAOYSA-N 1 0 383.378 2.445 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000825854907 608356831 /nfs/dbraw/zinc/35/68/31/608356831.db2.gz DVQZVEWVCBSSNK-KRWDZBQOSA-N 1 0 391.479 2.379 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826168274 608373964 /nfs/dbraw/zinc/37/39/64/608373964.db2.gz HZXXSZKUSUQWMF-WMLDXEAASA-N 1 0 387.390 2.461 20 0 GEADRO CCC[C@H]1CN(Cc2cn3ccccc3c2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825258818 608377943 /nfs/dbraw/zinc/37/79/43/608377943.db2.gz DWLFKPUDVCZUKB-KRWDZBQOSA-N 1 0 383.500 2.052 20 0 GEADRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)C1 ZINC000824936663 608386237 /nfs/dbraw/zinc/38/62/37/608386237.db2.gz KYFMBSYLCNEXRG-AWEZNQCLSA-N 1 0 386.475 2.476 20 0 GEADRO CC(C)C[N@H+](CCCNC(=O)C(F)(F)F)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824255691 608387671 /nfs/dbraw/zinc/38/76/71/608387671.db2.gz TZKBZYGNKWAYMT-UHFFFAOYSA-N 1 0 384.406 2.393 20 0 GEADRO Cc1ccc(N(C)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)nn1 ZINC000826289913 608392178 /nfs/dbraw/zinc/39/21/78/608392178.db2.gz RKRJPYHTOQLTII-UHFFFAOYSA-N 1 0 382.447 2.205 20 0 GEADRO Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3F)C2)nn1 ZINC000826289454 608392388 /nfs/dbraw/zinc/39/23/88/608392388.db2.gz ATSOLSBFIGTHFY-HNNXBMFYSA-N 1 0 382.447 2.205 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826431595 608407450 /nfs/dbraw/zinc/40/74/50/608407450.db2.gz GIGQDJDSBSVHKN-MOPGFXCFSA-N 1 0 393.495 2.292 20 0 GEADRO C[NH+](C)C1CCN(c2ccc(Nc3ccc(-c4nn[nH]n4)nn3)cc2F)CC1 ZINC000825856342 608412203 /nfs/dbraw/zinc/41/22/03/608412203.db2.gz UDBMUHWCTLHKLF-UHFFFAOYSA-N 1 0 383.435 2.070 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824977339 608420901 /nfs/dbraw/zinc/42/09/01/608420901.db2.gz QOQCHYUTVCGLFU-AUUYWEPGSA-N 1 0 393.495 2.148 20 0 GEADRO CCOc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825631477 608430751 /nfs/dbraw/zinc/43/07/51/608430751.db2.gz BHHNMZWDXJTLKP-AWEZNQCLSA-N 1 0 380.452 2.232 20 0 GEADRO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ccc(-c2nn[nH]n2)nn1 ZINC000825061495 608435623 /nfs/dbraw/zinc/43/56/23/608435623.db2.gz XSNBXNNERMNXAG-KSSFIOAISA-N 1 0 393.499 2.097 20 0 GEADRO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825653830 608438337 /nfs/dbraw/zinc/43/83/37/608438337.db2.gz KQTRAEXQZXMABF-GOEBONIOSA-N 1 0 383.452 2.356 20 0 GEADRO CC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1OCC(=O)NC ZINC000825140805 608457840 /nfs/dbraw/zinc/45/78/40/608457840.db2.gz LNOLBPJLLYUOPE-QGZVFWFLSA-N 1 0 398.442 2.372 20 0 GEADRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826208902 608459889 /nfs/dbraw/zinc/45/98/89/608459889.db2.gz FKMJEDDCUNBBRC-DOMZBBRYSA-N 1 0 387.415 2.105 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564807 608460933 /nfs/dbraw/zinc/46/09/33/608460933.db2.gz WAJHTCAUGOTYEL-RVKKMQEKSA-N 1 0 386.500 2.229 20 0 GEADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000824280090 608463563 /nfs/dbraw/zinc/46/35/63/608463563.db2.gz CLNFARWHBSLRLH-NSHDSACASA-N 1 0 386.485 2.206 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824586521 608464985 /nfs/dbraw/zinc/46/49/85/608464985.db2.gz ZISMQHUWHWGDDO-OXQOHEQNSA-N 1 0 378.480 2.418 20 0 GEADRO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826218786 608467129 /nfs/dbraw/zinc/46/71/29/608467129.db2.gz KVMXYJRIDOLDSC-KGLIPLIRSA-N 1 0 380.452 2.403 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562833 608468606 /nfs/dbraw/zinc/46/86/06/608468606.db2.gz JVJCSMUCUQKQQV-LLVKDONJSA-N 1 0 383.481 2.491 20 0 GEADRO COc1cc([C@H](C)[NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)ccc1OCCO ZINC000826177292 608470722 /nfs/dbraw/zinc/47/07/22/608470722.db2.gz BTENHBCQZHUINN-LBPRGKRZSA-N 1 0 387.415 2.236 20 0 GEADRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000825140497 608470735 /nfs/dbraw/zinc/47/07/35/608470735.db2.gz JZVHITYZEDYPFN-IAGOWNOFSA-N 1 0 381.436 2.412 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824563111 608480331 /nfs/dbraw/zinc/48/03/31/608480331.db2.gz LOTDZVRJGFWSSL-HNNXBMFYSA-N 1 0 376.464 2.365 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)c1cccc(-c2nn[nH]n2)c1 ZINC000824564127 608483307 /nfs/dbraw/zinc/48/33/07/608483307.db2.gz RYMOVFRWJZCIJK-CYBMUJFWSA-N 1 0 394.435 2.317 20 0 GEADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824029186 608485812 /nfs/dbraw/zinc/48/58/12/608485812.db2.gz HBSROEYMSJLETG-ACJLOTCBSA-N 1 0 381.436 2.160 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824563162 608486985 /nfs/dbraw/zinc/48/69/85/608486985.db2.gz MTQSQDHJQBNUHI-LBPRGKRZSA-N 1 0 382.472 2.187 20 0 GEADRO CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825643264 608487486 /nfs/dbraw/zinc/48/74/86/608487486.db2.gz JUYYDJJRDFUXTA-YOEHRIQHSA-N 1 0 383.452 2.356 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562060 608487887 /nfs/dbraw/zinc/48/78/87/608487887.db2.gz CJTVQIQZAQAOHB-JTQLQIEISA-N 1 0 386.485 2.305 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824585466 608488260 /nfs/dbraw/zinc/48/82/60/608488260.db2.gz QQFWLJBIHGMHHN-JXFKEZNVSA-N 1 0 378.480 2.418 20 0 GEADRO Cc1cccc(OCCCNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826300406 608491559 /nfs/dbraw/zinc/49/15/59/608491559.db2.gz UEIZFXBREMNGDP-MRXNPFEDSA-N 1 0 394.479 2.411 20 0 GEADRO CC(C)[N@H+](CC(N)=O)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824288986 608499806 /nfs/dbraw/zinc/49/98/06/608499806.db2.gz SJDUHIMROFPQCA-UHFFFAOYSA-N 1 0 380.452 2.141 20 0 GEADRO CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823999658 608501330 /nfs/dbraw/zinc/50/13/30/608501330.db2.gz GCSPYQNEEITRCU-UHFFFAOYSA-N 1 0 391.479 2.143 20 0 GEADRO COc1ccc(C2([NH2+]CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826189650 608521364 /nfs/dbraw/zinc/52/13/64/608521364.db2.gz APMBWUJQWSVMHC-UHFFFAOYSA-N 1 0 378.436 2.483 20 0 GEADRO O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)ccc21 ZINC000826497122 608523572 /nfs/dbraw/zinc/52/35/72/608523572.db2.gz VHHKYBOFLLPUSH-GOSISDBHSA-N 1 0 395.488 2.364 20 0 GEADRO C[C@H](NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(F)cc1 ZINC000824478803 608528812 /nfs/dbraw/zinc/52/88/12/608528812.db2.gz IRNIVFBJVYQHRB-ZDUSSCGKSA-N 1 0 380.427 2.462 20 0 GEADRO COc1cccc(CN(C)C(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826216409 608529396 /nfs/dbraw/zinc/52/93/96/608529396.db2.gz XNLWFJKORGUYJE-UHFFFAOYSA-N 1 0 392.463 2.113 20 0 GEADRO O=c1cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)nc2ccc(Cl)cn12 ZINC000826502154 608529869 /nfs/dbraw/zinc/52/98/69/608529869.db2.gz WVZFQYDFEWARPJ-UHFFFAOYSA-N 1 0 393.838 2.307 20 0 GEADRO CCc1nc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)sc1C ZINC000825749262 608532056 /nfs/dbraw/zinc/53/20/56/608532056.db2.gz ARNYSEGKIZXUOM-UHFFFAOYSA-N 1 0 383.481 2.411 20 0 GEADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccnc(-c4nn[nH]n4)c3)ccc2NC1=O ZINC000825219198 608538201 /nfs/dbraw/zinc/53/82/01/608538201.db2.gz HXGCZGSUBUWEHH-MEDUHNTESA-N 1 0 379.424 2.222 20 0 GEADRO COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826217098 608538981 /nfs/dbraw/zinc/53/89/81/608538981.db2.gz YVDKGLMBEGWVMO-JSGCOSHPSA-N 1 0 387.415 2.105 20 0 GEADRO COCC[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826159128 608567388 /nfs/dbraw/zinc/56/73/88/608567388.db2.gz RTHPLBVPBUCNQW-UHFFFAOYSA-N 1 0 390.451 2.300 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826203104 608581519 /nfs/dbraw/zinc/58/15/19/608581519.db2.gz YXTNXNWZBJPUEC-LSDHHAIUSA-N 1 0 388.472 2.411 20 0 GEADRO COc1ccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826193300 608583322 /nfs/dbraw/zinc/58/33/22/608583322.db2.gz ZJAFLNZSBDAAAZ-UHFFFAOYSA-N 1 0 376.461 2.174 20 0 GEADRO O=C1[C@H]([NH+]2CCC(c3cccnc3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476313 608585368 /nfs/dbraw/zinc/58/53/68/608585368.db2.gz FHVGCVCJQYKXNM-LJQANCHMSA-N 1 0 389.463 2.247 20 0 GEADRO Cc1nn(C)c(N(C)C)c1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826334366 608603437 /nfs/dbraw/zinc/60/34/37/608603437.db2.gz RUUPLPAUWGFXHK-UHFFFAOYSA-N 1 0 396.499 2.018 20 0 GEADRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825232869 608656355 /nfs/dbraw/zinc/65/63/55/608656355.db2.gz LEDNOGODJXESBO-ZBFHGGJFSA-N 1 0 396.499 2.031 20 0 GEADRO C[C@H](NC(=O)c1cc[nH]c(=O)c1Br)C1([NH+]2CCOCC2)CCCC1 ZINC000446319988 649977566 /nfs/dbraw/zinc/97/75/66/649977566.db2.gz JKLALBYXAFCKSE-LBPRGKRZSA-N 1 0 398.301 2.313 20 0 GEADRO Cc1ccnc(NC[C@@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)c1 ZINC000826313721 608663634 /nfs/dbraw/zinc/66/36/34/608663634.db2.gz QZXCGZZKGZFDCG-HNNXBMFYSA-N 1 0 389.467 2.152 20 0 GEADRO CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)cs3)C2)no1 ZINC000824358720 608739300 /nfs/dbraw/zinc/73/93/00/608739300.db2.gz OYCNHAWYFYNILH-CYBMUJFWSA-N 1 0 388.501 2.141 20 0 GEADRO CC[N@H+](CCNC(=O)Cc1cc[nH]c(=O)c1Br)CCC(F)(F)F ZINC000446343167 649978313 /nfs/dbraw/zinc/97/83/13/649978313.db2.gz VIMCYJQHRUAQBS-UHFFFAOYSA-N 1 0 398.223 2.483 20 0 GEADRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824385393 608845694 /nfs/dbraw/zinc/84/56/94/608845694.db2.gz RXXHDQMEMDSZLZ-FZKQIMNGSA-N 1 0 375.436 2.338 20 0 GEADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000446371390 649979011 /nfs/dbraw/zinc/97/90/11/649979011.db2.gz WHMWQOPFXUCSPA-CJBNDPTMSA-N 1 0 388.295 2.416 20 0 GEADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824531625 609142399 /nfs/dbraw/zinc/14/23/99/609142399.db2.gz PSZAXWGQXSRWGI-ACJLOTCBSA-N 1 0 382.443 2.356 20 0 GEADRO Cc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258374 609158515 /nfs/dbraw/zinc/15/85/15/609158515.db2.gz JHQPCDZSXBKVRJ-AWEZNQCLSA-N 1 0 396.499 2.067 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C12CCC2 ZINC000825581501 609167394 /nfs/dbraw/zinc/16/73/94/609167394.db2.gz BRSYBYXQUBKKFS-OKZBNKHCSA-N 1 0 396.495 2.299 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825407048 609190046 /nfs/dbraw/zinc/19/00/46/609190046.db2.gz XDEMOCVOLIANDK-RBUKOAKNSA-N 1 0 394.479 2.099 20 0 GEADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824284701 609200659 /nfs/dbraw/zinc/20/06/59/609200659.db2.gz NFNSETLGTZFYEC-IBGZPJMESA-N 1 0 394.479 2.057 20 0 GEADRO CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000825376550 609222132 /nfs/dbraw/zinc/22/21/32/609222132.db2.gz JLJDZXIIRDWMKO-PBHICJAKSA-N 1 0 379.468 2.492 20 0 GEADRO C[C@@H]1C[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000824875360 609228164 /nfs/dbraw/zinc/22/81/64/609228164.db2.gz MCIUJNDUSJMRNO-GDBMZVCRSA-N 1 0 379.468 2.225 20 0 GEADRO CCC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000825254486 609232426 /nfs/dbraw/zinc/23/24/26/609232426.db2.gz SCIKXPFZDDQRQU-QGZVFWFLSA-N 1 0 379.468 2.322 20 0 GEADRO C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824968922 609238628 /nfs/dbraw/zinc/23/86/28/609238628.db2.gz QTWZBVDNQYYGCB-ZNZDAUKMSA-N 1 0 380.496 2.481 20 0 GEADRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824662723 609247287 /nfs/dbraw/zinc/24/72/87/609247287.db2.gz QFKJTPSNRCWWFS-IFXJQAMLSA-N 1 0 391.479 2.490 20 0 GEADRO C[C@H](OC(=O)c1cc(-c2nn[nH]n2)cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824723335 609263662 /nfs/dbraw/zinc/26/36/62/609263662.db2.gz PXXOUTBMVCJTCC-GOEBONIOSA-N 1 0 380.452 2.273 20 0 GEADRO O[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000826506308 609282848 /nfs/dbraw/zinc/28/28/48/609282848.db2.gz RKTWSFOGRJDSPJ-HXUWFJFHSA-N 1 0 378.411 2.352 20 0 GEADRO O=C(C[N@@H+]1CCC[C@@H]1C1CCOCC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826410550 609284136 /nfs/dbraw/zinc/28/41/36/609284136.db2.gz QGPALGCQSSLEQF-MRXNPFEDSA-N 1 0 390.875 2.350 20 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C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C)C1 ZINC000824945486 609336762 /nfs/dbraw/zinc/33/67/62/609336762.db2.gz CZGKQOAKOQZEAA-CVEARBPZSA-N 1 0 394.527 2.477 20 0 GEADRO CS[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@H]1[NH+](C)C ZINC000826227322 609366725 /nfs/dbraw/zinc/36/67/25/609366725.db2.gz PFQBMQMSGYIQIP-KGLIPLIRSA-N 1 0 397.346 2.107 20 0 GEADRO CS[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1[NH+](C)C ZINC000826227323 609367018 /nfs/dbraw/zinc/36/70/18/609367018.db2.gz PFQBMQMSGYIQIP-UONOGXRCSA-N 1 0 397.346 2.107 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000824046172 609374732 /nfs/dbraw/zinc/37/47/32/609374732.db2.gz QCOHAZZACPWCHK-XHBSWPGZSA-N 1 0 392.891 2.330 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000824046170 609374777 /nfs/dbraw/zinc/37/47/77/609374777.db2.gz QCOHAZZACPWCHK-HSMVNMDESA-N 1 0 392.891 2.330 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000824046171 609374795 /nfs/dbraw/zinc/37/47/95/609374795.db2.gz QCOHAZZACPWCHK-WQGACYEGSA-N 1 0 392.891 2.330 20 0 GEADRO C[NH+](C)CC[C@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(C)(C)C ZINC000825860802 609408004 /nfs/dbraw/zinc/40/80/04/609408004.db2.gz XEAVKULCUDJVCE-ROUUACIJSA-N 1 0 399.543 2.318 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826202756 609410664 /nfs/dbraw/zinc/41/06/64/609410664.db2.gz MFBKUPJPKUMUON-GOSISDBHSA-N 1 0 378.436 2.161 20 0 GEADRO COC1CCC(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826146362 609417046 /nfs/dbraw/zinc/41/70/46/609417046.db2.gz UKLZHNBJHUNBEW-UYJHFMRCSA-N 1 0 384.484 2.157 20 0 GEADRO OC[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000826507670 609429824 /nfs/dbraw/zinc/42/98/24/609429824.db2.gz UCRAOKMERNQUKD-CVEARBPZSA-N 1 0 393.369 2.242 20 0 GEADRO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000825511939 609439741 /nfs/dbraw/zinc/43/97/41/609439741.db2.gz MDFGMOXRXGCANE-UHFFFAOYSA-N 1 0 384.415 2.356 20 0 GEADRO CN(C)c1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccn1 ZINC000825875481 609442131 /nfs/dbraw/zinc/44/21/31/609442131.db2.gz QXHPHVRYOMAFNO-UHFFFAOYSA-N 1 0 392.511 2.036 20 0 GEADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825415850 609453606 /nfs/dbraw/zinc/45/36/06/609453606.db2.gz DQULOJKAAOLXML-UHFFFAOYSA-N 1 0 393.455 2.139 20 0 GEADRO C[C@H](NC(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824479919 609456534 /nfs/dbraw/zinc/45/65/34/609456534.db2.gz RRCZDCWDXHEEOU-JXFKEZNVSA-N 1 0 390.491 2.436 20 0 GEADRO CC(C)[C@H](C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)[NH+](C)C ZINC000446489038 649982049 /nfs/dbraw/zinc/98/20/49/649982049.db2.gz TXPIAKJXUQVLRF-LSDHHAIUSA-N 1 0 382.302 2.257 20 0 GEADRO Cc1ccnc(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1-c1nn[nH]n1 ZINC000826313811 609531748 /nfs/dbraw/zinc/53/17/48/609531748.db2.gz URPRWTGCTDKTLD-SFHVURJKSA-N 1 0 392.511 2.361 20 0 GEADRO Cc1ccnc(N(C)C2CC[NH+](CCc3ccccn3)CC2)c1-c1nn[nH]n1 ZINC000826309214 609544408 /nfs/dbraw/zinc/54/44/08/609544408.db2.gz HVVKTGVDRSDOEQ-UHFFFAOYSA-N 1 0 378.484 2.108 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C[C@@H]1C ZINC000825452139 609549871 /nfs/dbraw/zinc/54/98/71/609549871.db2.gz NXULQAPKUACCEX-WCQYABFASA-N 1 0 398.920 2.013 20 0 GEADRO Cc1ccnc(N2CCC([NH2+]CCOc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826310450 609557345 /nfs/dbraw/zinc/55/73/45/609557345.db2.gz WDZYDXAXWASDSH-UHFFFAOYSA-N 1 0 379.468 2.208 20 0 GEADRO Cc1c(Cl)cnc(N2CCC(OCC[NH+]3CCCC3)CC2)c1-c1nn[nH]n1 ZINC000826237620 609565591 /nfs/dbraw/zinc/56/55/91/609565591.db2.gz GNJGVMURELHSCB-UHFFFAOYSA-N 1 0 391.907 2.305 20 0 GEADRO CC[C@@H]1C[C@@H](C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCO1 ZINC000825182946 609599803 /nfs/dbraw/zinc/59/98/03/609599803.db2.gz MQTRADYVHZPMJN-QGTPRVQTSA-N 1 0 384.484 2.157 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000446546577 649983378 /nfs/dbraw/zinc/98/33/78/649983378.db2.gz JLYPDADXSUGRGB-VXGBXAGGSA-N 1 0 383.290 2.162 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cn2)cc1 ZINC000447237184 650002786 /nfs/dbraw/zinc/00/27/86/650002786.db2.gz YYMTZHXGTKSBAT-UHFFFAOYSA-N 1 0 377.242 2.483 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000447241929 650002955 /nfs/dbraw/zinc/00/29/55/650002955.db2.gz DEWRZMXGVZDBTL-QWRGUYRKSA-N 1 0 377.304 2.185 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(F)c(Br)cc3F)C[C@H]21 ZINC000447243965 650002970 /nfs/dbraw/zinc/00/29/70/650002970.db2.gz CBMMAQWOGMULKI-IGJMFERPSA-N 1 0 395.269 2.475 20 0 GEADRO COCC[C@@]1([NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)CCOC1 ZINC000447405430 650006376 /nfs/dbraw/zinc/00/63/76/650006376.db2.gz PGGNPPNHJXJTPN-SUMWQHHRSA-N 1 0 385.302 2.412 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cncc(Br)c2)C1 ZINC000448161282 650014037 /nfs/dbraw/zinc/01/40/37/650014037.db2.gz ZLDLMGFKAUKWKA-ZDUSSCGKSA-N 1 0 390.347 2.490 20 0 GEADRO C[NH+](C)[C@@H](CNc1ncc(Br)cc1S(N)(=O)=O)c1ccccc1 ZINC000448228117 650014541 /nfs/dbraw/zinc/01/45/41/650014541.db2.gz DASQONSPCNSRSU-ZDUSSCGKSA-N 1 0 399.314 2.206 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000448594939 650017612 /nfs/dbraw/zinc/01/76/12/650017612.db2.gz DMBSFRHYYHBCFA-UHFFFAOYSA-N 1 0 391.313 2.365 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000448873382 650024530 /nfs/dbraw/zinc/02/45/30/650024530.db2.gz KEKUDOOEKTYAMT-AWEZNQCLSA-N 1 0 396.329 2.004 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000448927229 650025939 /nfs/dbraw/zinc/02/59/39/650025939.db2.gz CWBWFAFBPZMJBT-NSHDSACASA-N 1 0 397.292 2.435 20 0 GEADRO NC(=O)[C@H]1CCCN1CCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449121844 650032056 /nfs/dbraw/zinc/03/20/56/650032056.db2.gz JKMMURVCHROKNT-MRXNPFEDSA-N 1 0 391.313 2.427 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2cccc(F)c2Br)CC1 ZINC000449023894 650030157 /nfs/dbraw/zinc/03/01/57/650030157.db2.gz VYIVKZWCCUIODC-UHFFFAOYSA-N 1 0 384.293 2.328 20 0 GEADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449031347 650030717 /nfs/dbraw/zinc/03/07/17/650030717.db2.gz WLTKYFGYMGALAH-MRXNPFEDSA-N 1 0 379.551 2.429 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000449132403 650032272 /nfs/dbraw/zinc/03/22/72/650032272.db2.gz UISJLICJCFQISW-WFASDCNBSA-N 1 0 396.329 2.289 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@]1(C)CCOC1 ZINC000449145697 650032881 /nfs/dbraw/zinc/03/28/81/650032881.db2.gz AGARBBDWABYVJY-SJKOYZFVSA-N 1 0 385.302 2.479 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@](C)(O)C(C)C ZINC000449152770 650033575 /nfs/dbraw/zinc/03/35/75/650033575.db2.gz HCRMHMMQOGLVRR-PXAZEXFGSA-N 1 0 387.318 2.459 20 0 GEADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2ccc(I)cc2)O1 ZINC000449209149 650034296 /nfs/dbraw/zinc/03/42/96/650034296.db2.gz UBXOFCDAHAFIKR-UONOGXRCSA-N 1 0 388.249 2.017 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000449221929 650034730 /nfs/dbraw/zinc/03/47/30/650034730.db2.gz LAWRTTXQMVLSSA-GWCFXTLKSA-N 1 0 379.295 2.396 20 0 GEADRO O=C1NC(=O)C2(CC[NH+](Cc3ccnc4c(Br)cccc34)CC2)N1 ZINC000449229171 650035090 /nfs/dbraw/zinc/03/50/90/650035090.db2.gz YUJMAFJLHKAZOF-UHFFFAOYSA-N 1 0 389.253 2.171 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000449305538 650038110 /nfs/dbraw/zinc/03/81/10/650038110.db2.gz HADUGNPCUQDXOH-MFKMUULPSA-N 1 0 379.295 2.396 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(I)cc1)C1(S(C)(=O)=O)CC1 ZINC000449321560 650038226 /nfs/dbraw/zinc/03/82/26/650038226.db2.gz MNKRRKOMMFKCSP-SNVBAGLBSA-N 1 0 379.263 2.347 20 0 GEADRO CCOC(=O)[C@@H]1CN(Cc2cc(Br)ccc2OC)CC12COC2 ZINC000449366125 650038982 /nfs/dbraw/zinc/03/89/82/650038982.db2.gz RDOLONKWZOFUCC-AWEZNQCLSA-N 1 0 384.270 2.469 20 0 GEADRO COCCN1CC[C@@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)C1 ZINC000449683785 650045275 /nfs/dbraw/zinc/04/52/75/650045275.db2.gz NVAPPBOIQLHOPD-NVXWUHKLSA-N 1 0 385.346 2.219 20 0 GEADRO COCCN1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)C1 ZINC000449683787 650045309 /nfs/dbraw/zinc/04/53/09/650045309.db2.gz NVAPPBOIQLHOPD-WBVHZDCISA-N 1 0 385.346 2.219 20 0 GEADRO CC(C)(C)C(=O)N1CCC([NH2+]CCn2cc(Br)ccc2=O)CC1 ZINC000449378989 650039436 /nfs/dbraw/zinc/03/94/36/650039436.db2.gz RYKMYLQQIMCNSU-UHFFFAOYSA-N 1 0 384.318 2.238 20 0 GEADRO COc1cc(Br)c(CNC[C@H]2CCC[N@@H+]2CCCO)cc1OC ZINC000449390478 650040003 /nfs/dbraw/zinc/04/00/03/650040003.db2.gz WGDLUNKUGQIPMR-CQSZACIVSA-N 1 0 387.318 2.403 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CCN(C(C)=O)CC1 ZINC000449680339 650045357 /nfs/dbraw/zinc/04/53/57/650045357.db2.gz JYWYWIYZSSLPEP-CQSZACIVSA-N 1 0 399.329 2.209 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000449443340 650041035 /nfs/dbraw/zinc/04/10/35/650041035.db2.gz RKWCFGYUAZXQPL-HOTGVXAUSA-N 1 0 390.933 2.315 20 0 GEADRO CCn1nnc(C)c1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449599464 650043171 /nfs/dbraw/zinc/04/31/71/650043171.db2.gz LAILMXNWKTUOAS-LBPRGKRZSA-N 1 0 385.281 2.449 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1Br ZINC000449605105 650043954 /nfs/dbraw/zinc/04/39/54/650043954.db2.gz YVZNAPJDJHZHNF-CZUORRHYSA-N 1 0 399.329 2.256 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000449698469 650046498 /nfs/dbraw/zinc/04/64/98/650046498.db2.gz NUPYAPJKDJCXCU-SWLSCSKDSA-N 1 0 394.313 2.306 20 0 GEADRO COc1ccc(Br)cc1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000449705785 650046816 /nfs/dbraw/zinc/04/68/16/650046816.db2.gz ZGFQZZXICGNQLQ-MRXNPFEDSA-N 1 0 396.329 2.244 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(F)(F)F ZINC000449714255 650047177 /nfs/dbraw/zinc/04/71/77/650047177.db2.gz BVHBTWOQIGWIHX-CQSZACIVSA-N 1 0 378.416 2.412 20 0 GEADRO C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449717223 650047534 /nfs/dbraw/zinc/04/75/34/650047534.db2.gz HTFRBYPUEYYRAJ-SKDRFNHKSA-N 1 0 381.395 2.282 20 0 GEADRO CC(C)NC(=O)CSc1ccccc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449715053 650047548 /nfs/dbraw/zinc/04/75/48/650047548.db2.gz DMNSNFVGBCDOBE-ZDUSSCGKSA-N 1 0 377.432 2.313 20 0 GEADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000449748547 650048532 /nfs/dbraw/zinc/04/85/32/650048532.db2.gz BVGIFFCZCHHARK-NSHDSACASA-N 1 0 384.221 2.038 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[NH2+]C1(C)C)c1ccc(Br)cc1 ZINC000449750734 650048942 /nfs/dbraw/zinc/04/89/42/650048942.db2.gz WBOYCJPENZZXCO-GJZGRUSLSA-N 1 0 382.302 2.273 20 0 GEADRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000449759428 650049164 /nfs/dbraw/zinc/04/91/64/650049164.db2.gz YMJUKRUNGYCALV-SFYZADRCSA-N 1 0 377.080 2.350 20 0 GEADRO CCOc1cc(CN2CC[N@H+](CCO)C[C@H]2C)cc(Br)c1OC ZINC000449788961 650050007 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Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)sc1S(N)(=O)=O ZINC000450811559 650070933 /nfs/dbraw/zinc/07/09/33/650070933.db2.gz NROLLEMJNLOZHK-ZDUSSCGKSA-N 1 0 380.539 2.057 20 0 GEADRO O=S(=O)(Cc1ccc(Br)c(F)c1)NCCC[NH+]1CCCC1 ZINC000450994579 650078664 /nfs/dbraw/zinc/07/86/64/650078664.db2.gz CFQHXQUQTXWJPE-UHFFFAOYSA-N 1 0 379.295 2.494 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2cccc(F)c2Br)[C@H](C)C1 ZINC000451043534 650081211 /nfs/dbraw/zinc/08/12/11/650081211.db2.gz XHNMNGQSACQQHL-CHWSQXEVSA-N 1 0 387.293 2.434 20 0 GEADRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000451261310 650099163 /nfs/dbraw/zinc/09/91/63/650099163.db2.gz VUIWSNXWPXHHQO-FZMZJTMJSA-N 1 0 388.249 2.323 20 0 GEADRO CN(CC[N@H+](C)CCSc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000451268048 650099375 /nfs/dbraw/zinc/09/93/75/650099375.db2.gz LCJWVFZNUYSWRC-UHFFFAOYSA-N 1 0 379.551 2.494 20 0 GEADRO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC[N@@H+]1CCCOCC1 ZINC000451272589 650099592 /nfs/dbraw/zinc/09/95/92/650099592.db2.gz 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CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1(C)C ZINC000451498598 650121214 /nfs/dbraw/zinc/12/12/14/650121214.db2.gz WUBDIICHJAYJKA-WMLDXEAASA-N 1 0 388.917 2.475 20 0 GEADRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1(C)C ZINC000451503464 650121576 /nfs/dbraw/zinc/12/15/76/650121576.db2.gz RGGNDHXGHRLLKG-AMKSKSKJSA-N 1 0 388.917 2.331 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451555584 650124658 /nfs/dbraw/zinc/12/46/58/650124658.db2.gz JAXWKCRRQCPZCP-UHFFFAOYSA-N 1 0 379.929 2.124 20 0 GEADRO Cc1cc(NC(=O)CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1Br ZINC000451648978 650128511 /nfs/dbraw/zinc/12/85/11/650128511.db2.gz AQWVTQBIPFLQJF-OKILXGFUSA-N 1 0 384.318 2.083 20 0 GEADRO C[C@@H](NC(=O)CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000451669279 650131621 /nfs/dbraw/zinc/13/16/21/650131621.db2.gz VABBUUFQXRFOEY-QLFBSQMISA-N 1 0 398.345 2.013 20 0 GEADRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000451733013 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O=C(CCOc1ccccc1Br)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452781494 650197336 /nfs/dbraw/zinc/19/73/36/650197336.db2.gz IPNPZRDDWVEQQS-AWEZNQCLSA-N 1 0 385.302 2.181 20 0 GEADRO Cc1ccc(OCCC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000452798126 650198093 /nfs/dbraw/zinc/19/80/93/650198093.db2.gz QZQXDCHGZMJUQK-HNNXBMFYSA-N 1 0 399.329 2.489 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@@H]21 ZINC000453039343 650205109 /nfs/dbraw/zinc/20/51/09/650205109.db2.gz QYZXMQAXAXZTRG-WBMJQRKESA-N 1 0 375.270 2.411 20 0 GEADRO COC(=O)c1cn(CC[NH2+][C@H](Cc2ccccc2Br)C2CC2)nn1 ZINC000453207947 650207075 /nfs/dbraw/zinc/20/70/75/650207075.db2.gz IMLDDEHIFFPYAX-OAHLLOKOSA-N 1 0 393.285 2.438 20 0 GEADRO O=S(=O)(NCCC[NH2+][C@H]1CCn2ccnc21)c1ccccc1Br ZINC000453220219 650207304 /nfs/dbraw/zinc/20/73/04/650207304.db2.gz WYBDGUVTRYVXSU-ZDUSSCGKSA-N 1 0 399.314 2.049 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000453283132 650207917 /nfs/dbraw/zinc/20/79/17/650207917.db2.gz MDRIYYZDCLAAAL-ZWNOBZJWSA-N 1 0 396.294 2.270 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1I ZINC000453293470 650208009 /nfs/dbraw/zinc/20/80/09/650208009.db2.gz WWRNLMVBGJKUEV-WDEREUQCSA-N 1 0 396.294 2.270 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000453343299 650208285 /nfs/dbraw/zinc/20/82/85/650208285.db2.gz DIFSTRGNVBSKBB-ZFWWWQNUSA-N 1 0 390.343 2.075 20 0 GEADRO CC[C@H](Cn1cncn1)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000453364631 650208586 /nfs/dbraw/zinc/20/85/86/650208586.db2.gz LLQMGHCSKAYTKS-IUODEOHRSA-N 1 0 385.281 2.399 20 0 GEADRO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453385904 650208759 /nfs/dbraw/zinc/20/87/59/650208759.db2.gz VFAQEONRHGSKJH-RNCFNFMXSA-N 1 0 377.304 2.172 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453582898 650209370 /nfs/dbraw/zinc/20/93/70/650209370.db2.gz TYCLJWRMUCVCTN-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453630503 650211202 /nfs/dbraw/zinc/21/12/02/650211202.db2.gz BJLJOXKAPVAKNE-NSHDSACASA-N 1 0 393.285 2.392 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000453650988 650212402 /nfs/dbraw/zinc/21/24/02/650212402.db2.gz MOZOYXZXYIURBN-CYBMUJFWSA-N 1 0 395.301 2.035 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000453658881 650213166 /nfs/dbraw/zinc/21/31/66/650213166.db2.gz YGGCLGGCKWNDEB-LLVKDONJSA-N 1 0 386.677 2.394 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453701497 650217754 /nfs/dbraw/zinc/21/77/54/650217754.db2.gz CNWAHDSQJPCQDP-UONOGXRCSA-N 1 0 395.301 2.176 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000453670847 650214153 /nfs/dbraw/zinc/21/41/53/650214153.db2.gz PHMQXLLZYLELHV-CQSZACIVSA-N 1 0 397.317 2.424 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000453672707 650214414 /nfs/dbraw/zinc/21/44/14/650214414.db2.gz SFJHJZIGHWKXGU-GWCFXTLKSA-N 1 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/nfs/dbraw/zinc/26/72/68/650267268.db2.gz FIYFHYKZNUKBBM-UHFFFAOYSA-N 1 0 375.922 2.143 20 0 GEADRO COc1ccc(Br)cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000454534943 650268944 /nfs/dbraw/zinc/26/89/44/650268944.db2.gz AIHCSDWTPNHILP-ZDUSSCGKSA-N 1 0 386.290 2.426 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)NCCOc2ccc(Cl)c(Cl)c2)n1 ZINC000454856213 650281033 /nfs/dbraw/zinc/28/10/33/650281033.db2.gz FAIGZUAOBKFJLO-UHFFFAOYSA-N 1 0 386.283 2.952 20 0 GEADRO Cc1csc([C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C(F)(F)F)n1 ZINC000454870387 650281672 /nfs/dbraw/zinc/28/16/72/650281672.db2.gz XWDPKAKIHMTMDF-LLVKDONJSA-N 1 0 376.408 2.635 20 0 GEADRO O=C(c1ccc(I)cn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000455191071 650294383 /nfs/dbraw/zinc/29/43/83/650294383.db2.gz IKABYUSCYUDSPC-CYBMUJFWSA-N 1 0 385.249 2.387 20 0 GEADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1nn(C)cc1Br ZINC000455375982 650301520 /nfs/dbraw/zinc/30/15/20/650301520.db2.gz NNIUWMHSEASLQO-UHFFFAOYSA-N 1 0 398.305 2.439 20 0 GEADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455657273 650311593 /nfs/dbraw/zinc/31/15/93/650311593.db2.gz MXOKFHRIBYWPTG-NEPJUHHUSA-N 1 0 380.436 2.499 20 0 GEADRO CCc1noc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000455599027 650309040 /nfs/dbraw/zinc/30/90/40/650309040.db2.gz RTUJCTDCEOMWDW-UHFFFAOYSA-N 1 0 396.289 2.412 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](c2nccs2)C(F)(F)F)C1 ZINC000455663146 650312100 /nfs/dbraw/zinc/31/21/00/650312100.db2.gz ROCSLNPLWVTAAP-RYUDHWBXSA-N 1 0 380.436 2.403 20 0 GEADRO Cc1csc([C@@H](NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C(F)(F)F)n1 ZINC000455706954 650313712 /nfs/dbraw/zinc/31/37/12/650313712.db2.gz PSIDWDMEDFAQEP-GRYCIOLGSA-N 1 0 380.436 2.151 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000455713178 650314094 /nfs/dbraw/zinc/31/40/94/650314094.db2.gz CQFRUGMBSBHLSK-NSHDSACASA-N 1 0 379.452 2.395 20 0 GEADRO Cc1csc([C@H](NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)C(F)(F)F)n1 ZINC000455717401 650314159 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CC[NH+](CC)CC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000456475989 650341732 /nfs/dbraw/zinc/34/17/32/650341732.db2.gz CAASRLKLSDACBS-CQSZACIVSA-N 1 0 387.318 2.067 20 0 GEADRO CC[NH+](CC)CC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000456475988 650341780 /nfs/dbraw/zinc/34/17/80/650341780.db2.gz CAASRLKLSDACBS-AWEZNQCLSA-N 1 0 387.318 2.067 20 0 GEADRO COc1ccc(C[C@H](CO)CNC(=O)C2CC[NH+](C)CC2)cc1Br ZINC000456506878 650344805 /nfs/dbraw/zinc/34/48/05/650344805.db2.gz WBOPZRGLDLZQDX-AWEZNQCLSA-N 1 0 399.329 2.067 20 0 GEADRO CC[N@H+](CC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000456709887 650356136 /nfs/dbraw/zinc/35/61/36/650356136.db2.gz FRQVINFLZCHUOY-CYBMUJFWSA-N 1 0 387.293 2.340 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000456907683 650366658 /nfs/dbraw/zinc/36/66/58/650366658.db2.gz WIMFWFWNPKLHQN-UHFFFAOYSA-N 1 0 398.349 2.196 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NC(C)(C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000457218798 650374467 /nfs/dbraw/zinc/37/44/67/650374467.db2.gz IVUDLZCDOAGUEF-HNNXBMFYSA-N 1 0 384.318 2.473 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000500402740 650376202 /nfs/dbraw/zinc/37/62/02/650376202.db2.gz MHIAPFRCXZNFKW-UHFFFAOYSA-N 1 0 383.258 2.098 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(Br)co2)c1 ZINC000457543374 650380529 /nfs/dbraw/zinc/38/05/29/650380529.db2.gz SORVSXLWNSFEKK-UHFFFAOYSA-N 1 0 394.269 2.264 20 0 GEADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000457378800 650377135 /nfs/dbraw/zinc/37/71/35/650377135.db2.gz NSPAVZMSNMPBDG-TYNCELHUSA-N 1 0 380.286 2.140 20 0 GEADRO COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000500459900 650377580 /nfs/dbraw/zinc/37/75/80/650377580.db2.gz IBLDGUAZCDFMNG-BXUZGUMPSA-N 1 0 378.441 2.104 20 0 GEADRO COc1sc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1Br ZINC000500460089 650377585 /nfs/dbraw/zinc/37/75/85/650377585.db2.gz HCIUZRYJWHNAQH-JOYOIKCWSA-N 1 0 397.360 2.327 20 0 GEADRO COc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)c(I)c1 ZINC000500493837 650379598 /nfs/dbraw/zinc/37/95/98/650379598.db2.gz OBFVKDAGYSXQTC-UHFFFAOYSA-N 1 0 388.249 2.466 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000457485520 650379890 /nfs/dbraw/zinc/37/98/90/650379890.db2.gz PCHAHKHEAUWIET-AWEZNQCLSA-N 1 0 394.317 2.155 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c(SC)cc1OC ZINC000500511160 650379915 /nfs/dbraw/zinc/37/99/15/650379915.db2.gz DKQIOUBTVOXOGB-OCCSQVGLSA-N 1 0 388.555 2.233 20 0 GEADRO C[C@@H]1CN(C(=O)NCCc2ccc(Br)s2)C[C@H](C)[N@H+]1CCO ZINC000457563405 650381143 /nfs/dbraw/zinc/38/11/43/650381143.db2.gz DFODHMAPFUEPNI-TXEJJXNPSA-N 1 0 390.347 2.150 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)cnc2c1Cl ZINC000500938481 650385089 /nfs/dbraw/zinc/38/50/89/650385089.db2.gz ZPVNOTNGWDZXEU-UHFFFAOYSA-N 1 0 387.937 2.478 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000501012472 650386198 /nfs/dbraw/zinc/38/61/98/650386198.db2.gz ITCPBVMERZYCCA-CYBMUJFWSA-N 1 0 390.347 2.230 20 0 GEADRO CN(C(=O)c1cc(Br)co1)C1CC[NH+](CCn2cccn2)CC1 ZINC000457552911 650380771 /nfs/dbraw/zinc/38/07/71/650380771.db2.gz MSQIBGUEOQLFDY-UHFFFAOYSA-N 1 0 381.274 2.475 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000501326448 650389884 /nfs/dbraw/zinc/38/98/84/650389884.db2.gz VSYZBQUCMSIBSC-AWEZNQCLSA-N 1 0 380.432 2.488 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000502112084 650401041 /nfs/dbraw/zinc/40/10/41/650401041.db2.gz WRRQRWHNCZMRAP-HOTGVXAUSA-N 1 0 382.302 2.227 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000458172402 650398806 /nfs/dbraw/zinc/39/88/06/650398806.db2.gz GVNAUKKBWLQRFK-AWEZNQCLSA-N 1 0 396.329 2.417 20 0 GEADRO Cc1cc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccc1Br ZINC000458453203 650404154 /nfs/dbraw/zinc/40/41/54/650404154.db2.gz YEBHPIRJPLKUIV-CQSZACIVSA-N 1 0 397.361 2.440 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000502403497 650405872 /nfs/dbraw/zinc/40/58/72/650405872.db2.gz UBGVWRPFVMFJID-ZDUSSCGKSA-N 1 0 384.318 2.368 20 0 GEADRO CC[N@H+](CCNC(=O)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1)CCC(F)(F)F ZINC000458706096 650408363 /nfs/dbraw/zinc/40/83/63/650408363.db2.gz CLWRVRADJWYCLV-GHMZBOCLSA-N 1 0 379.345 2.215 20 0 GEADRO CN(C(=O)NCCOCC[NH+](C)C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000502603340 650408810 /nfs/dbraw/zinc/40/88/10/650408810.db2.gz NGXQTFMETXYUNT-HOTGVXAUSA-N 1 0 390.311 2.171 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000458833885 650411442 /nfs/dbraw/zinc/41/14/42/650411442.db2.gz BPFHNUSWJSJKST-MRXNPFEDSA-N 1 0 390.311 2.438 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCc2ccc(Br)cc2Cl)C1 ZINC000458891060 650413535 /nfs/dbraw/zinc/41/35/35/650413535.db2.gz UMJAAJCMRZOAOE-HNNXBMFYSA-N 1 0 390.709 2.011 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2cccc(Br)c2)C[C@@H]1C ZINC000459147563 650419579 /nfs/dbraw/zinc/41/95/79/650419579.db2.gz JZNGNUMLMGLIIA-KBPBESRZSA-N 1 0 384.318 2.088 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2cccc(Br)c2)C[C@H]1C ZINC000459147566 650419628 /nfs/dbraw/zinc/41/96/28/650419628.db2.gz JZNGNUMLMGLIIA-ZIAGYGMSSA-N 1 0 384.318 2.088 20 0 GEADRO O=C(NCCc1cccc(Br)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000459154713 650420067 /nfs/dbraw/zinc/42/00/67/650420067.db2.gz UBEISJHTRBQCBM-INIZCTEOSA-N 1 0 384.318 2.138 20 0 GEADRO C[N@@H+](Cc1cc(Cl)cc(Br)c1)C[C@@H](O)CN1CCOCC1 ZINC000459338108 650422907 /nfs/dbraw/zinc/42/29/07/650422907.db2.gz FVBRPXXPSDYDPR-OAHLLOKOSA-N 1 0 377.710 2.227 20 0 GEADRO Cn1cc(I)c(CNC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000459562355 650428833 /nfs/dbraw/zinc/42/88/33/650428833.db2.gz CLOVRSAEMGFDPL-UHFFFAOYSA-N 1 0 397.264 2.178 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)[C@H]1Sc1ccccc1 ZINC000459449858 650424881 /nfs/dbraw/zinc/42/48/81/650424881.db2.gz ZYBJYZANDSSHDZ-VDHUWJSZSA-N 1 0 384.567 2.338 20 0 GEADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000459489987 650426229 /nfs/dbraw/zinc/42/62/29/650426229.db2.gz RKVHPCWIYCYKHM-JSGCOSHPSA-N 1 0 380.286 2.254 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@H]1Sc1ccccc1 ZINC000459502292 650426595 /nfs/dbraw/zinc/42/65/95/650426595.db2.gz FHGGJFNCZFJOFX-KZNAEPCWSA-N 1 0 384.567 2.196 20 0 GEADRO CN(C)S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459536289 650427735 /nfs/dbraw/zinc/42/77/35/650427735.db2.gz KWVKUQPCEVSXIM-CABCVRRESA-N 1 0 379.448 2.327 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H](C)C1 ZINC000504139589 650427797 /nfs/dbraw/zinc/42/77/97/650427797.db2.gz FUGMPSIFHPDRDY-MGBSGCIJSA-N 1 0 396.329 2.402 20 0 GEADRO CCNS(=O)(=O)c1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000459648292 650429815 /nfs/dbraw/zinc/42/98/15/650429815.db2.gz PEPYZTDSZVVCTC-UHFFFAOYSA-N 1 0 379.448 2.101 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459697654 650429891 /nfs/dbraw/zinc/42/98/91/650429891.db2.gz YRDHLKYCYHFSRB-ZFWWWQNUSA-N 1 0 385.302 2.070 20 0 GEADRO Cc1c(Br)cc(CN2C[C@H](O)[C@H](CO)C2)cc1Br ZINC000459714146 650430830 /nfs/dbraw/zinc/43/08/30/650430830.db2.gz TVEPIAUPDFNLMN-GWCFXTLKSA-N 1 0 379.092 2.305 20 0 GEADRO OCC1([NH2+]C[C@H](O)COc2cccc(Br)c2)CCSCC1 ZINC000459720115 650431291 /nfs/dbraw/zinc/43/12/91/650431291.db2.gz WWYUAQBPCFYBAU-ZDUSSCGKSA-N 1 0 376.316 2.037 20 0 GEADRO OCC1([NH2+]C[C@H](O)COc2ccc(Br)cc2)CCSCC1 ZINC000459721429 650431536 /nfs/dbraw/zinc/43/15/36/650431536.db2.gz YIDATJGGBHKTJX-ZDUSSCGKSA-N 1 0 376.316 2.037 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000459841852 650433510 /nfs/dbraw/zinc/43/35/10/650433510.db2.gz AJACVFYUFFQKST-OAHLLOKOSA-N 1 0 396.329 2.350 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000459952148 650436449 /nfs/dbraw/zinc/43/64/49/650436449.db2.gz VBYUANHWNHSSRD-UHFFFAOYSA-N 1 0 396.329 2.352 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000505537648 650438754 /nfs/dbraw/zinc/43/87/54/650438754.db2.gz CVFFPVLOMDGUEE-KRWDZBQOSA-N 1 0 381.318 2.468 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C[C@H]1[NH+]1CCCC1 ZINC000460114647 650439448 /nfs/dbraw/zinc/43/94/48/650439448.db2.gz VNNAOYTXWZYKLY-RBSFLKMASA-N 1 0 379.492 2.299 20 0 GEADRO C[NH+](C)CCN(C(=O)COc1cccc(I)c1)C1CC1 ZINC000505627195 650439488 /nfs/dbraw/zinc/43/94/88/650439488.db2.gz AGSSURWXEZZCSW-UHFFFAOYSA-N 1 0 388.249 2.223 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000460264702 650441033 /nfs/dbraw/zinc/44/10/33/650441033.db2.gz QCXPMORZAFDRNE-HNNXBMFYSA-N 1 0 398.237 2.461 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000506629468 650448031 /nfs/dbraw/zinc/44/80/31/650448031.db2.gz YSXJJCPNWQUNNP-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC[NH+]1CCC1 ZINC000506503278 650445378 /nfs/dbraw/zinc/44/53/78/650445378.db2.gz IOSNAYFBFTVADF-UHFFFAOYSA-N 1 0 383.290 2.091 20 0 GEADRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000461404285 650453454 /nfs/dbraw/zinc/45/34/54/650453454.db2.gz DCXRLMIODOGTPQ-XMMPIXPASA-N 1 0 378.519 2.254 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc(Br)cc32)C[C@@H]1C ZINC000461234197 650451316 /nfs/dbraw/zinc/45/13/16/650451316.db2.gz PROSZJKHUAQVPL-RYUDHWBXSA-N 1 0 380.286 2.458 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000507197111 650455899 /nfs/dbraw/zinc/45/58/99/650455899.db2.gz ZZYBHAJKVWMRKD-OAHLLOKOSA-N 1 0 383.286 2.487 20 0 GEADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CSC[C@H]2C)cc1 ZINC000507210692 650456254 /nfs/dbraw/zinc/45/62/54/650456254.db2.gz KOWGBPMIMLIIPL-WWGRRREGSA-N 1 0 385.555 2.041 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000461792862 650460379 /nfs/dbraw/zinc/46/03/79/650460379.db2.gz AJEKMEWLUTYGLD-LLVKDONJSA-N 1 0 376.270 2.263 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000461896341 650462090 /nfs/dbraw/zinc/46/20/90/650462090.db2.gz GFAVJNSTOPKGBQ-RISCZKNCSA-N 1 0 376.906 2.112 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000461898546 650462104 /nfs/dbraw/zinc/46/21/04/650462104.db2.gz HABZVPJPMKOGAW-WCQYABFASA-N 1 0 377.279 2.255 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000462057196 650465061 /nfs/dbraw/zinc/46/50/61/650465061.db2.gz ITRZMVAWRQIJFX-UHFFFAOYSA-N 1 0 399.504 2.461 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000462111096 650469132 /nfs/dbraw/zinc/46/91/32/650469132.db2.gz KEJBCJJGPBIIBR-LLVKDONJSA-N 1 0 386.461 2.138 20 0 GEADRO CCOC(=O)CCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000462309290 650474760 /nfs/dbraw/zinc/47/47/60/650474760.db2.gz CARYQAHGDRDEAK-YOEHRIQHSA-N 1 0 388.555 2.394 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462414464 650478354 /nfs/dbraw/zinc/47/83/54/650478354.db2.gz XGZXQVXEKYCXJQ-WBMJQRKESA-N 1 0 399.276 2.304 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cn1)[N@@H+]1CCCC[C@H]1C ZINC000462442413 650479618 /nfs/dbraw/zinc/47/96/18/650479618.db2.gz TZGNWAZGRFDIJJ-VXGBXAGGSA-N 1 0 376.320 2.385 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)CC[N@@H+]1C ZINC000462501648 650482023 /nfs/dbraw/zinc/48/20/23/650482023.db2.gz LAAJEJUQECYVOL-DTWKUNHWSA-N 1 0 383.258 2.488 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000462507348 650482257 /nfs/dbraw/zinc/48/22/57/650482257.db2.gz WPXRFLDOWVKWOM-UHFFFAOYSA-N 1 0 393.347 2.313 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3sccc3C)cn2)CC1 ZINC000462526798 650482961 /nfs/dbraw/zinc/48/29/61/650482961.db2.gz PIQNAUMAFMFINN-UHFFFAOYSA-N 1 0 380.539 2.072 20 0 GEADRO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509076271 650486285 /nfs/dbraw/zinc/48/62/85/650486285.db2.gz DIPYGLBVEQOGIU-CYBMUJFWSA-N 1 0 397.313 2.480 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462851926 650491476 /nfs/dbraw/zinc/49/14/76/650491476.db2.gz BVORSMRMOBRMKQ-RYUDHWBXSA-N 1 0 398.301 2.304 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462851927 650491525 /nfs/dbraw/zinc/49/15/25/650491525.db2.gz BVORSMRMOBRMKQ-VXGBXAGGSA-N 1 0 398.301 2.304 20 0 GEADRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c(C(F)F)n1 ZINC000462895550 650492059 /nfs/dbraw/zinc/49/20/59/650492059.db2.gz MOTCBQZNWHAGMS-UHFFFAOYSA-N 1 0 396.822 2.218 20 0 GEADRO C[N@H+](CCN1CCN(S(=O)(=O)c2ccsc2)CC1)Cc1ccccc1 ZINC000509483862 650494353 /nfs/dbraw/zinc/49/43/53/650494353.db2.gz NCIBBDWXDFEWDC-UHFFFAOYSA-N 1 0 379.551 2.186 20 0 GEADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)C[C@@H](C)C(=O)OC)c1ccc(Cl)cc1 ZINC000509623120 650497446 /nfs/dbraw/zinc/49/74/46/650497446.db2.gz DPGHYSUUWNQMFA-CZUORRHYSA-N 1 0 390.933 2.451 20 0 GEADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000466967999 650500157 /nfs/dbraw/zinc/50/01/57/650500157.db2.gz UYTJDVOGJWBHAV-UONOGXRCSA-N 1 0 386.480 2.180 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000509876145 650502237 /nfs/dbraw/zinc/50/22/37/650502237.db2.gz CDCHSASAKYULBG-NSHDSACASA-N 1 0 395.308 2.495 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000467087585 650502343 /nfs/dbraw/zinc/50/23/43/650502343.db2.gz ZSHDMIVCGMHHIB-BMIGLBTASA-N 1 0 380.286 2.295 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467095756 650502702 /nfs/dbraw/zinc/50/27/02/650502702.db2.gz VLKFCQWXRAXPQO-XHDPSFHLSA-N 1 0 380.286 2.295 20 0 GEADRO O=C(COc1cccc(I)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000468788561 650506887 /nfs/dbraw/zinc/50/68/87/650506887.db2.gz BRLWXMBXJHGQPQ-LBPRGKRZSA-N 1 0 386.233 2.023 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)CCSC1 ZINC000469332565 650509222 /nfs/dbraw/zinc/50/92/22/650509222.db2.gz KSGSYIHQQJZFCJ-JKSUJKDBSA-N 1 0 375.460 2.433 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)C2CC[NH+](C)CC2)c(F)cc1F ZINC000469411877 650509876 /nfs/dbraw/zinc/50/98/76/650509876.db2.gz LGXQJXCGKDULMN-UHFFFAOYSA-N 1 0 375.441 2.397 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000510489086 650512318 /nfs/dbraw/zinc/51/23/18/650512318.db2.gz MGTYKRMQIMYXDA-HNNXBMFYSA-N 1 0 380.432 2.216 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000470687415 650515508 /nfs/dbraw/zinc/51/55/08/650515508.db2.gz FLBJVRRNKFBLDM-HNNXBMFYSA-N 1 0 387.571 2.092 20 0 GEADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000510769399 650518559 /nfs/dbraw/zinc/51/85/59/650518559.db2.gz VZDROOCZJXBBQV-APHBMKBZSA-N 1 0 385.555 2.186 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000470975092 650517644 /nfs/dbraw/zinc/51/76/44/650517644.db2.gz MLUUBRDEAWLVHY-AWEZNQCLSA-N 1 0 381.318 2.446 20 0 GEADRO COC(=O)CC1([NH2+]Cc2ccccc2C(F)(F)F)CCS(=O)(=O)CC1 ZINC000510782993 650519015 /nfs/dbraw/zinc/51/90/15/650519015.db2.gz XSQCWROLHLRNEG-UHFFFAOYSA-N 1 0 379.400 2.306 20 0 GEADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510798738 650519397 /nfs/dbraw/zinc/51/93/97/650519397.db2.gz SSIDNQRYOGJIPZ-MAZHCROVSA-N 1 0 387.933 2.425 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2C)C[C@H]1[NH+](C)C ZINC000472601467 650521043 /nfs/dbraw/zinc/52/10/43/650521043.db2.gz YOGMPPMKAUHJCX-OLZOCXBDSA-N 1 0 393.372 2.424 20 0 GEADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000473990719 650526348 /nfs/dbraw/zinc/52/63/48/650526348.db2.gz AFPRCERPEVJLOE-HOTGVXAUSA-N 1 0 396.329 2.290 20 0 GEADRO COc1ccc(Cl)cc1CS(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000474107300 650527838 /nfs/dbraw/zinc/52/78/38/650527838.db2.gz XNUYZIAWNKNKFS-UHFFFAOYSA-N 1 0 390.933 2.221 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000511714202 650541233 /nfs/dbraw/zinc/54/12/33/650541233.db2.gz LCCHDRIXNQFWOM-QMMMGPOBSA-N 1 0 388.212 2.019 20 0 GEADRO CC[C@@H](C(=O)OC)N1CCN(CCOc2cccc(Br)c2)CC1 ZINC000511870705 650541445 /nfs/dbraw/zinc/54/14/45/650541445.db2.gz APDGKOBEFZRPDG-INIZCTEOSA-N 1 0 385.302 2.397 20 0 GEADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCNc1cc[nH+]cc1 ZINC000512001253 650543807 /nfs/dbraw/zinc/54/38/07/650543807.db2.gz WOOOPKDRRDCCDK-NSHDSACASA-N 1 0 382.233 2.401 20 0 GEADRO COc1ccc(C[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)c(Br)c1 ZINC000512023171 650544123 /nfs/dbraw/zinc/54/41/23/650544123.db2.gz JSYYSKDTSUTTBO-MRXNPFEDSA-N 1 0 385.302 2.431 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNc2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000476105441 650544404 /nfs/dbraw/zinc/54/44/04/650544404.db2.gz OINBSFIVBZAYCI-JTQLQIEISA-N 1 0 394.310 2.379 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNc2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000476105449 650544449 /nfs/dbraw/zinc/54/44/49/650544449.db2.gz OINBSFIVBZAYCI-SNVBAGLBSA-N 1 0 394.310 2.379 20 0 GEADRO Cn1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(-c2ccc(Cl)s2)n1 ZINC000476323858 650548043 /nfs/dbraw/zinc/54/80/43/650548043.db2.gz CLWNPVCEUZZLEU-GFCCVEGCSA-N 1 0 382.917 2.379 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000512432340 650548500 /nfs/dbraw/zinc/54/85/00/650548500.db2.gz PCFLXAOYTPLQGH-LBPRGKRZSA-N 1 0 380.539 2.380 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000476337844 650548600 /nfs/dbraw/zinc/54/86/00/650548600.db2.gz OMSFUKOWYSYKAO-CQSZACIVSA-N 1 0 383.539 2.418 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000512564191 650550586 /nfs/dbraw/zinc/55/05/86/650550586.db2.gz JAHYXYSOQGDCCI-UHFFFAOYSA-N 1 0 381.523 2.493 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc2[nH]ccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000476485247 650551223 /nfs/dbraw/zinc/55/12/23/650551223.db2.gz FHMVHWMDGIDLNH-ZDUSSCGKSA-N 1 0 383.539 2.201 20 0 GEADRO O=C(NCc1cn2cc(Br)ccc2n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000476157810 650545267 /nfs/dbraw/zinc/54/52/67/650545267.db2.gz OSAKBDVAWONZNN-CQSZACIVSA-N 1 0 378.274 2.086 20 0 GEADRO CN(C)Cc1cnc(C[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)s1 ZINC000512133665 650545648 /nfs/dbraw/zinc/54/56/48/650545648.db2.gz WALQDAXCNBAESA-UHFFFAOYSA-N 1 0 382.599 2.429 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000512309937 650546120 /nfs/dbraw/zinc/54/61/20/650546120.db2.gz OGTCLFHVIPRKQG-ZDUSSCGKSA-N 1 0 398.345 2.379 20 0 GEADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000512350053 650546678 /nfs/dbraw/zinc/54/66/78/650546678.db2.gz GEWLYZHZMLZBPE-AWEZNQCLSA-N 1 0 382.555 2.051 20 0 GEADRO COc1ccc(CCC(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1Br ZINC000512365511 650546786 /nfs/dbraw/zinc/54/67/86/650546786.db2.gz ZUXNRAFGOOMAOX-OAHLLOKOSA-N 1 0 399.329 2.353 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)C1(c2ccc(Br)cc2)CC1 ZINC000512390029 650547538 /nfs/dbraw/zinc/54/75/38/650547538.db2.gz XJSWWYBYHSTHHG-INIZCTEOSA-N 1 0 381.314 2.444 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c(OC(F)F)c1 ZINC000513018075 650556703 /nfs/dbraw/zinc/55/67/03/650556703.db2.gz VYAOYUVMIQYORM-CYBMUJFWSA-N 1 0 378.441 2.200 20 0 GEADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ncc(CN(C)C)s2)s1 ZINC000513090496 650557694 /nfs/dbraw/zinc/55/76/94/650557694.db2.gz UWKLJDDENMYNLX-MNOVXSKESA-N 1 0 382.559 2.372 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000513463374 650563576 /nfs/dbraw/zinc/56/35/76/650563576.db2.gz LZXMLXVTHZLUCI-RYUDHWBXSA-N 1 0 399.333 2.114 20 0 GEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Br ZINC000476994027 650564964 /nfs/dbraw/zinc/56/49/64/650564964.db2.gz TZAGBSVAAARIIC-SFHVURJKSA-N 1 0 390.281 2.211 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000513821517 650569449 /nfs/dbraw/zinc/56/94/49/650569449.db2.gz KAINRGSSSSKNNZ-UHFFFAOYSA-N 1 0 399.207 2.392 20 0 GEADRO C[C@@H](c1ccccc1Cl)N1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000513964343 650572267 /nfs/dbraw/zinc/57/22/67/650572267.db2.gz HBEZIELOHUGRRB-JKSUJKDBSA-N 1 0 385.961 2.300 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H](C)CC[NH3+] ZINC000477247206 650573159 /nfs/dbraw/zinc/57/31/59/650573159.db2.gz HPMQRPHMWCJUST-DOMZBBRYSA-N 1 0 399.333 2.271 20 0 GEADRO COC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000514142774 650573776 /nfs/dbraw/zinc/57/37/76/650573776.db2.gz WOTHCQHYKKGKAY-DOMZBBRYSA-N 1 0 380.432 2.264 20 0 GEADRO CC[NH+](CC)CCCNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000514516942 650574129 /nfs/dbraw/zinc/57/41/29/650574129.db2.gz HAXSPEGBMNHRKP-UHFFFAOYSA-N 1 0 396.340 2.120 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000477546412 650575775 /nfs/dbraw/zinc/57/57/75/650575775.db2.gz RCCBRWCYRFFJGY-UHFFFAOYSA-N 1 0 381.885 2.319 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1Cl ZINC000514672599 650576228 /nfs/dbraw/zinc/57/62/28/650576228.db2.gz UUOQJZCWUZXKQU-MNOVXSKESA-N 1 0 397.324 2.390 20 0 GEADRO COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000514673971 650576468 /nfs/dbraw/zinc/57/64/68/650576468.db2.gz MRBOIZCPXLSYBW-GXFFZTMASA-N 1 0 397.191 2.233 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000514719704 650577621 /nfs/dbraw/zinc/57/76/21/650577621.db2.gz NBHAZMHXVRQVAI-UHFFFAOYSA-N 1 0 380.645 2.296 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1Cl ZINC000514739235 650578179 /nfs/dbraw/zinc/57/81/79/650578179.db2.gz XJHMCKQBKLHFLI-AWEZNQCLSA-N 1 0 385.917 2.078 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1Cl ZINC000514739236 650578222 /nfs/dbraw/zinc/57/82/22/650578222.db2.gz XJHMCKQBKLHFLI-CQSZACIVSA-N 1 0 385.917 2.078 20 0 GEADRO COCC(C)(C)N1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000514857145 650581364 /nfs/dbraw/zinc/58/13/64/650581364.db2.gz AMQVDEDEHYZSPV-GOSISDBHSA-N 1 0 398.345 2.192 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CCc2cc(Br)ccc21)C[NH+]1CCN(C)CC1 ZINC000514938086 650583801 /nfs/dbraw/zinc/58/38/01/650583801.db2.gz DXRMQKDGSSFFFD-KDOFPFPSSA-N 1 0 394.357 2.479 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CCc2cc(Br)ccc21)C[NH+]1CCN(C)CC1 ZINC000514938091 650583847 /nfs/dbraw/zinc/58/38/47/650583847.db2.gz DXRMQKDGSSFFFD-RDTXWAMCSA-N 1 0 394.357 2.479 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000514939479 650584244 /nfs/dbraw/zinc/58/42/44/650584244.db2.gz SGHPBRAEKBHXFI-GHMZBOCLSA-N 1 0 386.290 2.417 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000514939481 650584279 /nfs/dbraw/zinc/58/42/79/650584279.db2.gz SGHPBRAEKBHXFI-MNOVXSKESA-N 1 0 386.290 2.417 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)c1Br ZINC000478465576 650586201 /nfs/dbraw/zinc/58/62/01/650586201.db2.gz GIHMDFGPUVTYIW-UHFFFAOYSA-N 1 0 394.273 2.101 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1Cl ZINC000515224800 650590223 /nfs/dbraw/zinc/59/02/23/650590223.db2.gz ICIKDFHGVHUHDW-NSHDSACASA-N 1 0 397.324 2.439 20 0 GEADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000478711419 650590455 /nfs/dbraw/zinc/59/04/55/650590455.db2.gz PHPKYUSPXBMUHM-GXSJLCMTSA-N 1 0 377.666 2.056 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CCO1 ZINC000478723389 650590753 /nfs/dbraw/zinc/59/07/53/650590753.db2.gz XWBZBODKBMYOKM-OAHLLOKOSA-N 1 0 381.885 2.104 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000515714025 650593535 /nfs/dbraw/zinc/59/35/35/650593535.db2.gz DYOWJNPZHHVVGQ-LBPRGKRZSA-N 1 0 384.468 2.384 20 0 GEADRO C[C@H]([NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000515367568 650592582 /nfs/dbraw/zinc/59/25/82/650592582.db2.gz MVQZKTSRIVTMLC-OWRWGESLSA-N 1 0 388.892 2.212 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000515861941 650595054 /nfs/dbraw/zinc/59/50/54/650595054.db2.gz VAJZOEMJFTVPPZ-ZDUSSCGKSA-N 1 0 385.302 2.443 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)[C@H]2C1 ZINC000479079357 650595847 /nfs/dbraw/zinc/59/58/47/650595847.db2.gz QBHQMKSZAQBRFF-WBMJQRKESA-N 1 0 384.307 2.205 20 0 GEADRO C[NH+]1CCN(Cc2ccc(NC(=O)Cn3cc(Br)cn3)cc2)CC1 ZINC000516393489 650597217 /nfs/dbraw/zinc/59/72/17/650597217.db2.gz GQZBRKSDKIDBKE-UHFFFAOYSA-N 1 0 392.301 2.032 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000516530705 650598485 /nfs/dbraw/zinc/59/84/85/650598485.db2.gz QNQYEHHEWULRDC-HRCADAONSA-N 1 0 382.302 2.325 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000479221506 650599446 /nfs/dbraw/zinc/59/94/46/650599446.db2.gz GGPDZFQMJUEWHV-KRWDZBQOSA-N 1 0 385.295 2.383 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000479319043 650601262 /nfs/dbraw/zinc/60/12/62/650601262.db2.gz LYUIHBMHRKQDHG-INIZCTEOSA-N 1 0 382.302 2.238 20 0 GEADRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479319711 650601273 /nfs/dbraw/zinc/60/12/73/650601273.db2.gz GZWHYBLUTSDPHA-WDEREUQCSA-N 1 0 399.340 2.325 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000479344599 650601630 /nfs/dbraw/zinc/60/16/30/650601630.db2.gz LNDHRHIIHZAVQJ-DOMZBBRYSA-N 1 0 384.318 2.318 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000518756323 650607317 /nfs/dbraw/zinc/60/73/17/650607317.db2.gz AEXXCRLGYOSWPH-YPMHNXCESA-N 1 0 383.286 2.397 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000518782803 650607668 /nfs/dbraw/zinc/60/76/68/650607668.db2.gz MPESWWQBDIZRKA-UHFFFAOYSA-N 1 0 388.295 2.467 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)CCN2C1=O ZINC000518797192 650608343 /nfs/dbraw/zinc/60/83/43/650608343.db2.gz NHKDBUXVADHEAN-GXSJLCMTSA-N 1 0 376.766 2.135 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1Br ZINC000479763947 650609403 /nfs/dbraw/zinc/60/94/03/650609403.db2.gz DIALAQVGRQGFJY-ZKCHVHJHSA-N 1 0 398.120 2.288 20 0 GEADRO C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)o1)C(C)(C)C[NH+](C)C ZINC000479752258 650609445 /nfs/dbraw/zinc/60/94/45/650609445.db2.gz JNPXPJORGIOXLC-LLVKDONJSA-N 1 0 388.306 2.207 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc([S@@](C)=O)cc1 ZINC000519707098 650611172 /nfs/dbraw/zinc/61/11/72/650611172.db2.gz BCXOIXDXNIQHBQ-DXMRWRAPSA-N 1 0 379.503 2.310 20 0 GEADRO CC[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000519714004 650611430 /nfs/dbraw/zinc/61/14/30/650611430.db2.gz RNCRFCBAEZVHQI-CYBMUJFWSA-N 1 0 382.302 2.226 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000519813901 650613447 /nfs/dbraw/zinc/61/34/47/650613447.db2.gz XARQSXXRCMTGKA-UHFFFAOYSA-N 1 0 386.290 2.209 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000520495192 650614674 /nfs/dbraw/zinc/61/46/74/650614674.db2.gz KGHDZMVOQFELAE-UHFFFAOYSA-N 1 0 381.523 2.167 20 0 GEADRO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172275 650616883 /nfs/dbraw/zinc/61/68/83/650616883.db2.gz VUIXQJPHKLUHCN-GFCCVEGCSA-N 1 0 389.315 2.029 20 0 GEADRO C[C@H](CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[S@](C)=O ZINC000480187343 650617378 /nfs/dbraw/zinc/61/73/78/650617378.db2.gz BTEYSOGJDLYNAP-FBWDIHGXSA-N 1 0 394.356 2.414 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)CCc1ccc(OC)c(Br)c1 ZINC000521484174 650617863 /nfs/dbraw/zinc/61/78/63/650617863.db2.gz JTAXADQXDLACLP-UHFFFAOYSA-N 1 0 387.318 2.427 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(OC)cc1Br ZINC000480281897 650618738 /nfs/dbraw/zinc/61/87/38/650618738.db2.gz WPLBPRZNILUUBY-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)cc1Br ZINC000480281903 650618741 /nfs/dbraw/zinc/61/87/41/650618741.db2.gz WPLBPRZNILUUBY-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000480284467 650618773 /nfs/dbraw/zinc/61/87/73/650618773.db2.gz NSLMPDFVHMGMQA-KRWDZBQOSA-N 1 0 385.555 2.005 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000521943652 650620476 /nfs/dbraw/zinc/62/04/76/650620476.db2.gz JXZKNMNDPPXVRK-DLBZAZTESA-N 1 0 391.940 2.486 20 0 GEADRO CCOCCN1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000521979269 650620769 /nfs/dbraw/zinc/62/07/69/650620769.db2.gz JTIJUSZISAXDKR-UHFFFAOYSA-N 1 0 385.295 2.364 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000480600943 650625628 /nfs/dbraw/zinc/62/56/28/650625628.db2.gz KYNCWTVQZXVXRR-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)c(Br)c1 ZINC000480537441 650624393 /nfs/dbraw/zinc/62/43/93/650624393.db2.gz POQZKRNYBZNGGN-UHFFFAOYSA-N 1 0 377.304 2.174 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000522440039 650625103 /nfs/dbraw/zinc/62/51/03/650625103.db2.gz WTKLMQXNBBBATM-UHFFFAOYSA-N 1 0 395.301 2.006 20 0 GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(I)cc1 ZINC000480710069 650628968 /nfs/dbraw/zinc/62/89/68/650628968.db2.gz KRESIAGLPGNIRW-NSHDSACASA-N 1 0 396.294 2.300 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000480734924 650630057 /nfs/dbraw/zinc/63/00/57/650630057.db2.gz FALBRDRSDFELKM-YOEHRIQHSA-N 1 0 380.330 2.276 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000480848745 650634648 /nfs/dbraw/zinc/63/46/48/650634648.db2.gz VAULCQIRDCHYQH-OTYXRUKQSA-N 1 0 377.279 2.349 20 0 GEADRO CCC[N@H+](C)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000524607344 650644040 /nfs/dbraw/zinc/64/40/40/650644040.db2.gz VSLFKRWIKJZAJJ-UHFFFAOYSA-N 1 0 382.302 2.075 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000524696287 650645199 /nfs/dbraw/zinc/64/51/99/650645199.db2.gz CBZBDTHCPBYNHV-GFCCVEGCSA-N 1 0 384.958 2.430 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000524920457 650648624 /nfs/dbraw/zinc/64/86/24/650648624.db2.gz DUNNAIOCYAABFB-LSDHHAIUSA-N 1 0 382.302 2.061 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)N2CCN(CCc3cccs3)CC2)CCSC1 ZINC000481785867 650653298 /nfs/dbraw/zinc/65/32/98/650653298.db2.gz VJBIIRLNIOTSPY-GOSISDBHSA-N 1 0 382.599 2.055 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000525197312 650651442 /nfs/dbraw/zinc/65/14/42/650651442.db2.gz RTOGWCYROBVJCH-JTQLQIEISA-N 1 0 398.248 2.239 20 0 GEADRO OC[C@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@H]1CCOC1 ZINC000481836153 650654275 /nfs/dbraw/zinc/65/42/75/650654275.db2.gz NEFDQOVPQLAXAH-UWVGGRQHSA-N 1 0 397.203 2.304 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)C[C@H]1[NH+]1CCCC1 ZINC000525835689 650658252 /nfs/dbraw/zinc/65/82/52/650658252.db2.gz NKXVFSZGYJTBLC-CVEARBPZSA-N 1 0 386.587 2.281 20 0 GEADRO C[N@H+](CC(=O)NCCCOc1ccc(C(F)(F)F)cn1)[C@H]1CCSC1 ZINC000482790337 650668401 /nfs/dbraw/zinc/66/84/01/650668401.db2.gz AOBOUHXCRNDPOO-ZDUSSCGKSA-N 1 0 377.432 2.423 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(Br)s2)[C@H](C)C1 ZINC000482702869 650667013 /nfs/dbraw/zinc/66/70/13/650667013.db2.gz AOJHYWWIRCTISB-GHMZBOCLSA-N 1 0 376.320 2.107 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000527077619 650667915 /nfs/dbraw/zinc/66/79/15/650667915.db2.gz WVQUORQASLTZCV-UHFFFAOYSA-N 1 0 397.317 2.361 20 0 GEADRO COc1ccc(Br)c2[nH]c(C(=O)NCC[N@@H+]3CCCOCC3)cc21 ZINC000527119366 650670009 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CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ccc(F)cc1Br ZINC000527753143 650681989 /nfs/dbraw/zinc/68/19/89/650681989.db2.gz KGRLSIYJBRJMOA-QGZVFWFLSA-N 1 0 387.293 2.294 20 0 GEADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000527751470 650682036 /nfs/dbraw/zinc/68/20/36/650682036.db2.gz CBHHDROCLGEWCW-QGZVFWFLSA-N 1 0 387.293 2.294 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cc(F)ccc1Br ZINC000527754155 650682277 /nfs/dbraw/zinc/68/22/77/650682277.db2.gz OQMBLMAHIOBJII-KRWDZBQOSA-N 1 0 387.293 2.294 20 0 GEADRO CS[C@@H]1CN(CC(=O)Nc2nnc(CC(C)C)s2)C[C@@H]1[NH+]1CCCC1 ZINC000484614751 650687716 /nfs/dbraw/zinc/68/77/16/650687716.db2.gz GYYYHSPQXODQGV-UONOGXRCSA-N 1 0 383.587 2.187 20 0 GEADRO CCO[C@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000484647631 650688561 /nfs/dbraw/zinc/68/85/61/650688561.db2.gz KAGDVZJEPCSEDB-CABCVRRESA-N 1 0 392.315 2.006 20 0 GEADRO CCO[C@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000484656245 650688734 /nfs/dbraw/zinc/68/87/34/650688734.db2.gz ZQRDWCISSOGIPC-CABCVRRESA-N 1 0 392.315 2.006 20 0 GEADRO COc1cc(CNC(=O)[C@H]2C[C@]2(C)Br)ccc1OCC[NH+](C)C ZINC000528335183 650688952 /nfs/dbraw/zinc/68/89/52/650688952.db2.gz NDVVVYXQCUAVQQ-DYVFJYSZSA-N 1 0 385.302 2.425 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)s1 ZINC000484774285 650690302 /nfs/dbraw/zinc/69/03/02/650690302.db2.gz CSBBPCLQALNWHR-UHFFFAOYSA-N 1 0 392.543 2.331 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccsc1C(F)(F)F ZINC000528356626 650690423 /nfs/dbraw/zinc/69/04/23/650690423.db2.gz PLYBCGWVQRUEBG-GFCCVEGCSA-N 1 0 377.432 2.439 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484204066 650686244 /nfs/dbraw/zinc/68/62/44/650686244.db2.gz ROTJBMUTBTZVCS-HOTGVXAUSA-N 1 0 396.329 2.397 20 0 GEADRO C[NH+]1CCN(C[C@H](NC(=O)[C@H]2C[C@@]2(C)Br)c2ccccc2)CC1 ZINC000528395546 650692395 /nfs/dbraw/zinc/69/23/95/650692395.db2.gz KRBNCOXWFOAVQH-SOLBZPMBSA-N 1 0 380.330 2.265 20 0 GEADRO 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GHNFZOMJLBZRQF-ZDUSSCGKSA-N 1 0 387.311 2.379 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(Br)c(F)c1F ZINC000529346428 650703309 /nfs/dbraw/zinc/70/33/09/650703309.db2.gz DNFAULFZZMGMGT-SNVBAGLBSA-N 1 0 377.229 2.304 20 0 GEADRO C[N@H+](CCNC(=O)Cc1cc[nH]c(=O)c1Br)Cc1ccc(F)cc1 ZINC000486170537 650707785 /nfs/dbraw/zinc/70/77/85/650707785.db2.gz WKAFRPCFYIOIEJ-UHFFFAOYSA-N 1 0 396.260 2.480 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486444689 650713705 /nfs/dbraw/zinc/71/37/05/650713705.db2.gz KMTIMHGSOXPNKP-GYSYKLTISA-N 1 0 380.286 2.426 20 0 GEADRO CCOC[C@@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)CCO1 ZINC000530107609 650713862 /nfs/dbraw/zinc/71/38/62/650713862.db2.gz SQJNPJPWQUIZAM-ZDUSSCGKSA-N 1 0 381.270 2.459 20 0 GEADRO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(=O)n1C ZINC000530026849 650710706 /nfs/dbraw/zinc/71/07/06/650710706.db2.gz JNGWAXUDWLCYTF-ZDUSSCGKSA-N 1 0 382.302 2.203 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1Br ZINC000486398039 650712975 /nfs/dbraw/zinc/71/29/75/650712975.db2.gz BYHHVBUMHKPMQP-OAHLLOKOSA-N 1 0 382.302 2.461 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000486536502 650714585 /nfs/dbraw/zinc/71/45/85/650714585.db2.gz KPERIPRQSSBCJU-LLVKDONJSA-N 1 0 375.336 2.491 20 0 GEADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1cc2cc(Cl)sc2[nH]1 ZINC000486771603 650721593 /nfs/dbraw/zinc/72/15/93/650721593.db2.gz KGGCYNJEYSBADR-UHFFFAOYSA-N 1 0 384.933 2.003 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2COCCN2)cc(Br)c1OC(F)F ZINC000530181940 650717248 /nfs/dbraw/zinc/71/72/48/650717248.db2.gz QPMZZDNMKMLCGO-SNVBAGLBSA-N 1 0 381.217 2.137 20 0 GEADRO COc1c(Br)cc(C[NH2+]C[C@@H]2COCCN2)cc1Br ZINC000530182755 650717351 /nfs/dbraw/zinc/71/73/51/650717351.db2.gz ZMHNZGHDKMMKBJ-SNVBAGLBSA-N 1 0 394.107 2.298 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Br)c3)[C@H]2C1 ZINC000486669567 650718695 /nfs/dbraw/zinc/71/86/95/650718695.db2.gz GMNJHHHNBFFUIP-YGRLFVJLSA-N 1 0 377.279 2.303 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530221645 650718727 /nfs/dbraw/zinc/71/87/27/650718727.db2.gz HBXBSRNWPUQNMQ-CQSZACIVSA-N 1 0 381.318 2.153 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000530229382 650719038 /nfs/dbraw/zinc/71/90/38/650719038.db2.gz GKXSADUCOBFUNF-OAHLLOKOSA-N 1 0 375.332 2.153 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Br)c(F)c3)[C@@H]2C1 ZINC000486685873 650719294 /nfs/dbraw/zinc/71/92/94/650719294.db2.gz QIUDCZZJRHZKGZ-QMTHXVAHSA-N 1 0 377.279 2.303 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000486710405 650719800 /nfs/dbraw/zinc/71/98/00/650719800.db2.gz OSOYFHXYRWAIRF-ZFWWWQNUSA-N 1 0 398.320 2.430 20 0 GEADRO O=C(NCCCc1ccc(Br)cc1F)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000486749148 650720912 /nfs/dbraw/zinc/72/09/12/650720912.db2.gz CVMBXFBHAYZFFN-MRXNPFEDSA-N 1 0 384.293 2.027 20 0 GEADRO COc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000530614797 650727930 /nfs/dbraw/zinc/72/79/30/650727930.db2.gz YHWVICADOMCIPM-UHFFFAOYSA-N 1 0 383.286 2.395 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2=O)ccc1Br ZINC000487161465 650730032 /nfs/dbraw/zinc/73/00/32/650730032.db2.gz QNMWIWAMAIFMAV-XPKDYRNWSA-N 1 0 394.313 2.177 20 0 GEADRO CC[N@H+](CC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000487232882 650731306 /nfs/dbraw/zinc/73/13/06/650731306.db2.gz KPMLHKXILHHXER-HNNXBMFYSA-N 1 0 380.286 2.155 20 0 GEADRO COc1cc(C[C@H](CO)C[NH2+]Cc2c(Br)cnn2C)cc(OC)c1 ZINC000487300200 650732449 /nfs/dbraw/zinc/73/24/49/650732449.db2.gz VOERLHJSIGPGRR-ZDUSSCGKSA-N 1 0 398.301 2.141 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000487462590 650734116 /nfs/dbraw/zinc/73/41/16/650734116.db2.gz CJTRDUCGPWZPQW-CZUORRHYSA-N 1 0 384.318 2.436 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@]23CCC(=O)N2c2ccccc2S3)CCSC1 ZINC000531366819 650737491 /nfs/dbraw/zinc/73/74/91/650737491.db2.gz KNLIKRLFONHDCM-ZWKOTPCHSA-N 1 0 377.535 2.169 20 0 GEADRO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000487770919 650737637 /nfs/dbraw/zinc/73/76/37/650737637.db2.gz OFXQTPGNJZVDLR-HNNXBMFYSA-N 1 0 388.295 2.500 20 0 GEADRO COc1ccc(Br)cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000531370358 650737786 /nfs/dbraw/zinc/73/77/86/650737786.db2.gz XZZFPRASPYVCSV-UHFFFAOYSA-N 1 0 384.318 2.214 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000487850696 650738794 /nfs/dbraw/zinc/73/87/94/650738794.db2.gz AGWQJOJUSMXYII-LBPRGKRZSA-N 1 0 385.306 2.417 20 0 GEADRO CNC(=O)C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000012334638 642371976 /nfs/dbraw/zinc/37/19/76/642371976.db2.gz HNHSWMBGJSCQEC-LBPRGKRZSA-N 1 0 382.302 2.084 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000532604809 650750833 /nfs/dbraw/zinc/75/08/33/650750833.db2.gz OZSNWUCRCQHNEW-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO C[N@H+](CCOc1ccc(Br)cc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000532915750 650755111 /nfs/dbraw/zinc/75/51/11/650755111.db2.gz NYHVEFDPXVAZCQ-UHFFFAOYSA-N 1 0 377.242 2.296 20 0 GEADRO Cn1cc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc(Br)c1=O ZINC000532943460 650755368 /nfs/dbraw/zinc/75/53/68/650755368.db2.gz MLCBQSMDBCDWMO-UHFFFAOYSA-N 1 0 385.306 2.486 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2s1 ZINC000489450346 650759231 /nfs/dbraw/zinc/75/92/31/650759231.db2.gz WHCPDOQSWDKPQC-AWEZNQCLSA-N 1 0 383.539 2.120 20 0 GEADRO O[C@H]([C@@H]1CCCN1CCC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)C(F)(F)F ZINC000489262412 650756596 /nfs/dbraw/zinc/75/65/96/650756596.db2.gz ZFKZUXTZPIROOT-ZDEQEGDKSA-N 1 0 378.357 2.152 20 0 GEADRO C[N@H+](CCC(=O)Nc1cccc(Br)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000533293818 650759294 /nfs/dbraw/zinc/75/92/94/650759294.db2.gz WBYHTHCZLZIUML-GFCCVEGCSA-N 1 0 389.315 2.144 20 0 GEADRO C[N@H+](CCC(=O)Nc1cccc(Br)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000533293819 650759334 /nfs/dbraw/zinc/75/93/34/650759334.db2.gz WBYHTHCZLZIUML-LBPRGKRZSA-N 1 0 389.315 2.144 20 0 GEADRO O=C(COC(=O)c1cc(F)ccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000030690559 642476061 /nfs/dbraw/zinc/47/60/61/642476061.db2.gz RUMFSKOSYKIJOJ-UHFFFAOYSA-N 1 0 399.260 2.488 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000031464991 642483176 /nfs/dbraw/zinc/48/31/76/642483176.db2.gz SSPWKQPTLPLDFY-UHFFFAOYSA-N 1 0 391.269 2.388 20 0 GEADRO CC(C)[C@H]1CN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@@H+]1C ZINC000489331061 650757758 /nfs/dbraw/zinc/75/77/58/650757758.db2.gz NTUCTIYMFGAFMM-CQSZACIVSA-N 1 0 396.285 2.192 20 0 GEADRO CC[N@H+](CCCO)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000489389495 650758278 /nfs/dbraw/zinc/75/82/78/650758278.db2.gz KNNFLOJXKAHCJU-LLVKDONJSA-N 1 0 376.238 2.323 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000031825824 642491024 /nfs/dbraw/zinc/49/10/24/642491024.db2.gz KMLAERIXWHJFHC-CYBMUJFWSA-N 1 0 384.318 2.416 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(Br)cc1F)[NH+]1CCCC1 ZINC000532795926 650753300 /nfs/dbraw/zinc/75/33/00/650753300.db2.gz LYAZZLHXAPCMIX-VIFPVBQESA-N 1 0 390.228 2.266 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000041319189 642528968 /nfs/dbraw/zinc/52/89/68/642528968.db2.gz KXLVLYBLGMCFMT-UHFFFAOYSA-N 1 0 384.318 2.416 20 0 GEADRO Brc1cc2cccnc2c(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000489955779 650765578 /nfs/dbraw/zinc/76/55/78/650765578.db2.gz LPTUJQUNZLNTLX-KRWDZBQOSA-N 1 0 375.314 2.477 20 0 GEADRO CC[NH+](CC)CCNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000041748337 642532194 /nfs/dbraw/zinc/53/21/94/642532194.db2.gz BTAUOVPCXCRXEP-UHFFFAOYSA-N 1 0 380.539 2.386 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000533948113 650767515 /nfs/dbraw/zinc/76/75/15/650767515.db2.gz LXZGGHWJFRMCOD-LBPRGKRZSA-N 1 0 378.274 2.196 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccc(F)cc1Br ZINC000041890957 642535098 /nfs/dbraw/zinc/53/50/98/642535098.db2.gz DDKBFWJJQZMTDO-SNVBAGLBSA-N 1 0 384.249 2.127 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1ccc(F)cc1I ZINC000533810224 650766379 /nfs/dbraw/zinc/76/63/79/650766379.db2.gz GVZLGSPUJOFCAW-UHFFFAOYSA-N 1 0 385.180 2.089 20 0 GEADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490029397 650766735 /nfs/dbraw/zinc/76/67/35/650766735.db2.gz JRQJYDZCHAWAGM-CQSZACIVSA-N 1 0 395.269 2.492 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000042159331 642544178 /nfs/dbraw/zinc/54/41/78/642544178.db2.gz KOYHAOIYPKTAIH-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO CN(C1CCCCC1)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000042169439 642544875 /nfs/dbraw/zinc/54/48/75/642544875.db2.gz AEOMGBSEVIVFQN-UHFFFAOYSA-N 1 0 375.604 2.447 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000042741066 642556408 /nfs/dbraw/zinc/55/64/08/642556408.db2.gz FJNGJWASDRIIBW-UHFFFAOYSA-N 1 0 383.945 2.445 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000044529049 642580053 /nfs/dbraw/zinc/58/00/53/642580053.db2.gz NFZLGYDIWRPQEI-LLVKDONJSA-N 1 0 377.304 2.207 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000044529101 642581029 /nfs/dbraw/zinc/58/10/29/642581029.db2.gz FLZYVQJSFNTXSI-SECBINFHSA-N 1 0 397.722 2.471 20 0 GEADRO CC(C)(C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)OCCO ZINC000489762671 650763092 /nfs/dbraw/zinc/76/30/92/650763092.db2.gz BDYQSPQFNOGYQQ-CYBMUJFWSA-N 1 0 392.315 2.045 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000045012846 642586285 /nfs/dbraw/zinc/58/62/85/642586285.db2.gz SQPLDWPAUBZABH-GFCCVEGCSA-N 1 0 382.302 2.258 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)N2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000489828910 650764097 /nfs/dbraw/zinc/76/40/97/650764097.db2.gz YKFMMFAAYPQZLT-CABCVRRESA-N 1 0 395.345 2.064 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000045676168 642594397 /nfs/dbraw/zinc/59/43/97/642594397.db2.gz PSUNDKJTFJPYRS-HNNXBMFYSA-N 1 0 387.571 2.036 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000046857766 642617653 /nfs/dbraw/zinc/61/76/53/642617653.db2.gz GZSOYSPEPXSUOL-CYBMUJFWSA-N 1 0 387.933 2.195 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1sccc1Br ZINC000049060966 642666212 /nfs/dbraw/zinc/66/62/12/642666212.db2.gz MGEMBTPIGHUJIJ-UHFFFAOYSA-N 1 0 390.328 2.364 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000049048578 642666358 /nfs/dbraw/zinc/66/63/58/642666358.db2.gz MCGOFAOHXATMQJ-LBPRGKRZSA-N 1 0 388.295 2.405 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000050203434 642677869 /nfs/dbraw/zinc/67/78/69/642677869.db2.gz RTKYUJQKBSWWDH-CQSZACIVSA-N 1 0 380.286 2.393 20 0 GEADRO C=C1[NH+]=C(SCCS(C)(=O)=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000050250340 642679135 /nfs/dbraw/zinc/67/91/35/642679135.db2.gz KIINOCPDLOFOIQ-OAHLLOKOSA-N 1 0 382.507 2.302 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN(C)C(=O)c2ccc(Br)s2)CC1 ZINC000051283439 642693333 /nfs/dbraw/zinc/69/33/33/642693333.db2.gz MRSHRUDJPULRFF-UHFFFAOYSA-N 1 0 388.331 2.183 20 0 GEADRO CS(=O)(=O)N1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000052491115 642719919 /nfs/dbraw/zinc/71/99/19/642719919.db2.gz LPTPHBZGHGAVHT-UHFFFAOYSA-N 1 0 394.324 2.289 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N[C@H]2CC[N@H+](C)C2)c1 ZINC000053528631 642733354 /nfs/dbraw/zinc/73/33/54/642733354.db2.gz MFLGBXVFAVUEIU-AWEZNQCLSA-N 1 0 384.571 2.016 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2cccs2)C[C@@H]1[NH+](C)C ZINC000534825856 650780989 /nfs/dbraw/zinc/78/09/89/650780989.db2.gz OJOIESXMLIEYIS-OFQRWUPVSA-N 1 0 381.567 2.247 20 0 GEADRO CS[C@@H]1CN(C(=O)COc2ccc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000534828176 650781064 /nfs/dbraw/zinc/78/10/64/650781064.db2.gz ZGIJYJRWZSCHDQ-TZMCWYRMSA-N 1 0 391.306 2.471 20 0 GEADRO CC(C)[NH+](CCN(C(=S)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000054924726 642764850 /nfs/dbraw/zinc/76/48/50/642764850.db2.gz XVOUROGAFBEFGI-HNNXBMFYSA-N 1 0 377.620 2.267 20 0 GEADRO CCC[NH+]1CCN(c2ccc(NC(=O)CS(=O)(=O)CC)cc2Cl)CC1 ZINC000055695743 642781239 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C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1cc(Br)ccc1F ZINC000106533511 643233728 /nfs/dbraw/zinc/23/37/28/643233728.db2.gz YRCWACQFOUOBSV-LBPRGKRZSA-N 1 0 387.297 2.023 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000106818877 643240046 /nfs/dbraw/zinc/24/00/46/643240046.db2.gz TWUZORWYQMDUMN-GFCCVEGCSA-N 1 0 379.302 2.296 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000106895273 643244184 /nfs/dbraw/zinc/24/41/84/643244184.db2.gz JUJDMJADOKWJPY-GFCCVEGCSA-N 1 0 397.488 2.213 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000107371693 643255163 /nfs/dbraw/zinc/25/51/63/643255163.db2.gz JHWOPNXRZAWHJB-MSOLQXFVSA-N 1 0 382.346 2.194 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(Cc3cc4c(c(Br)c3)OCO4)C2)CC1 ZINC000107368294 643255271 /nfs/dbraw/zinc/25/52/71/643255271.db2.gz FGCSJMYCWQLYDE-HNNXBMFYSA-N 1 0 396.329 2.390 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107638877 643259068 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Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108619045 643279450 /nfs/dbraw/zinc/27/94/50/643279450.db2.gz FGIBOINKAFZASI-ZDUSSCGKSA-N 1 0 380.286 2.297 20 0 GEADRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccc(I)cc2)C1 ZINC000109805234 643301296 /nfs/dbraw/zinc/30/12/96/643301296.db2.gz NVOQQRAXBSRLGA-AWEZNQCLSA-N 1 0 387.265 2.256 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000538174904 650831726 /nfs/dbraw/zinc/83/17/26/650831726.db2.gz HVGSOZMSYPFZJB-VBQJREDUSA-N 1 0 383.330 2.498 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000110626617 643315119 /nfs/dbraw/zinc/31/51/19/643315119.db2.gz XGQHQQDJIDZERE-UONOGXRCSA-N 1 0 384.307 2.329 20 0 GEADRO C[C@@H]([NH3+])C1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000110649916 643316324 /nfs/dbraw/zinc/31/63/24/643316324.db2.gz LVPFOPVJLQGMSQ-GFCCVEGCSA-N 1 0 375.332 2.282 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000110660499 643316387 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CCOc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1Br ZINC000538276017 650833417 /nfs/dbraw/zinc/83/34/17/650833417.db2.gz MGEFUHIVNWFFIO-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO OCC[N@H+](CCOCC(F)(F)F)C[C@H](O)c1ccc(Br)cc1 ZINC000112412620 643361564 /nfs/dbraw/zinc/36/15/64/643361564.db2.gz FXLRSVMQISUTOA-ZDUSSCGKSA-N 1 0 386.208 2.356 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000112472866 643362394 /nfs/dbraw/zinc/36/23/94/643362394.db2.gz NVRVZZWGWRBPMV-GFCCVEGCSA-N 1 0 382.302 2.185 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000538316163 650834448 /nfs/dbraw/zinc/83/44/48/650834448.db2.gz VVGBZDIUMVFVLU-UHFFFAOYSA-N 1 0 395.294 2.015 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000113198159 643385134 /nfs/dbraw/zinc/38/51/34/643385134.db2.gz JZQSSFQWRSAYJI-GFCCVEGCSA-N 1 0 393.962 2.061 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000538374291 650835503 /nfs/dbraw/zinc/83/55/03/650835503.db2.gz GNHMUBWTJNJCQW-UHFFFAOYSA-N 1 0 395.301 2.257 20 0 GEADRO COC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000113309530 643394040 /nfs/dbraw/zinc/39/40/40/643394040.db2.gz VYHKUIHFLKFNKI-IUODEOHRSA-N 1 0 381.270 2.439 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000113375253 643395429 /nfs/dbraw/zinc/39/54/29/643395429.db2.gz MEESLJPLSARXNU-IAGOWNOFSA-N 1 0 375.579 2.208 20 0 GEADRO COc1cc(Cl)c(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000113413440 643397204 /nfs/dbraw/zinc/39/72/04/643397204.db2.gz VUACEIQZAKCVKI-UHFFFAOYSA-N 1 0 384.885 2.337 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000113607614 643401684 /nfs/dbraw/zinc/40/16/84/643401684.db2.gz GHFPWSHWPNTENW-CQSZACIVSA-N 1 0 387.571 2.083 20 0 GEADRO C[C@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)N1CC[NH+](C)CC1 ZINC000114384249 643416606 /nfs/dbraw/zinc/41/66/06/643416606.db2.gz BGHJZWAEGFXLPC-GFCCVEGCSA-N 1 0 379.302 2.296 20 0 GEADRO C[NH+](C)C1CN(C(=O)c2cccn2-c2cccc(I)c2)C1 ZINC000497683343 650838771 /nfs/dbraw/zinc/83/87/71/650838771.db2.gz CZEPCEFUEZSHNO-UHFFFAOYSA-N 1 0 395.244 2.468 20 0 GEADRO C[C@@H](CNC(=O)c1cc(I)c[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000115333616 643435730 /nfs/dbraw/zinc/43/57/30/643435730.db2.gz JKWWEHZKUUOHJN-QWRGUYRKSA-N 1 0 375.254 2.470 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(OC)c1 ZINC000539049251 650841348 /nfs/dbraw/zinc/84/13/48/650841348.db2.gz FMKQKNJRHOLDHU-CHWSQXEVSA-N 1 0 385.507 2.251 20 0 GEADRO COc1ccc(Br)cc1/C=C/C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116789902 643469858 /nfs/dbraw/zinc/46/98/58/643469858.db2.gz YHUADMJTMRKVLF-SZTZYQKNSA-N 1 0 383.286 2.260 20 0 GEADRO COc1ccc(Br)cc1/C=C/C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116789899 643469894 /nfs/dbraw/zinc/46/98/94/643469894.db2.gz YHUADMJTMRKVLF-NFBGWVBBSA-N 1 0 383.286 2.260 20 0 GEADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000118094174 643504901 /nfs/dbraw/zinc/50/49/01/643504901.db2.gz AEJDJTMJISVDKV-UHFFFAOYSA-N 1 0 382.180 2.084 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1Cl)C1CC1 ZINC000118101013 643504960 /nfs/dbraw/zinc/50/49/60/643504960.db2.gz DMUNHDSJIKBSRF-ZDUSSCGKSA-N 1 0 388.693 2.497 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000118116462 643505533 /nfs/dbraw/zinc/50/55/33/643505533.db2.gz PRRZXXRAUQQTJW-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000118122104 643506827 /nfs/dbraw/zinc/50/68/27/643506827.db2.gz UCLYJNQRQQSJOQ-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000118897067 643525712 /nfs/dbraw/zinc/52/57/12/643525712.db2.gz OZZFDIAYHYYFMV-UHFFFAOYSA-N 1 0 382.302 2.042 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cncc(I)c1 ZINC000118970496 643528155 /nfs/dbraw/zinc/52/81/55/643528155.db2.gz QIYBRKNYCWUNJO-UHFFFAOYSA-N 1 0 375.254 2.346 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccnc(SCC(F)(F)F)c3)[C@H]2C1 ZINC000498054405 650846684 /nfs/dbraw/zinc/84/66/84/650846684.db2.gz KMXUKTHUCVDPRF-QWHCGFSZSA-N 1 0 375.416 2.281 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000119367514 643548918 /nfs/dbraw/zinc/54/89/18/643548918.db2.gz LJHAGVFMARYPLD-LBPRGKRZSA-N 1 0 396.289 2.144 20 0 GEADRO C[NH+](C)C1(C(=O)NCCc2ccc(I)s2)CCC1 ZINC000119391553 643550236 /nfs/dbraw/zinc/55/02/36/643550236.db2.gz CTYLRXOUFXNLMW-UHFFFAOYSA-N 1 0 378.279 2.496 20 0 GEADRO CCn1nccc1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000119393175 643550422 /nfs/dbraw/zinc/55/04/22/643550422.db2.gz KLQSOIZWCSIRTG-UHFFFAOYSA-N 1 0 382.555 2.471 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)c1c(C)cccc1I ZINC000119590326 643559465 /nfs/dbraw/zinc/55/94/65/643559465.db2.gz SVXGWOABRQQWIJ-UHFFFAOYSA-N 1 0 390.265 2.298 20 0 GEADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000119679969 643565645 /nfs/dbraw/zinc/56/56/45/643565645.db2.gz AWDMFWWWXNPTJF-UHFFFAOYSA-N 1 0 380.432 2.173 20 0 GEADRO CC(C)[NH+](CCNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl)C(C)C ZINC000119743209 643569771 /nfs/dbraw/zinc/56/97/71/643569771.db2.gz WETZYNYPKYWDGF-UHFFFAOYSA-N 1 0 389.949 2.439 20 0 GEADRO C[NH+](C)C1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCC1 ZINC000119761740 643570843 /nfs/dbraw/zinc/57/08/43/643570843.db2.gz BAXOBYWXBZWQKR-UHFFFAOYSA-N 1 0 394.313 2.218 20 0 GEADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CC1 ZINC000119929772 643579921 /nfs/dbraw/zinc/57/99/21/643579921.db2.gz QVPWFXWCBPLUEC-UHFFFAOYSA-N 1 0 387.933 2.147 20 0 GEADRO COC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccc(Br)cc1 ZINC000498219073 650851819 /nfs/dbraw/zinc/85/18/19/650851819.db2.gz ZWODVQKKGLLXGZ-GHMZBOCLSA-N 1 0 379.201 2.152 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000120425493 643606586 /nfs/dbraw/zinc/60/65/86/643606586.db2.gz WSOICXZJPUKHTO-UHFFFAOYSA-N 1 0 380.286 2.474 20 0 GEADRO CC(C)[C@@H](CNC(=O)COc1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000120445461 643608003 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CC[N@@H+]1C[C@@H](C)N(C(=O)CN(C)C(=O)c2ccc(Br)o2)C[C@H]1C ZINC000498571782 650860269 /nfs/dbraw/zinc/86/02/69/650860269.db2.gz LVVVXHNECKZSGF-VXGBXAGGSA-N 1 0 386.290 2.055 20 0 GEADRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)[C@H](CO)c1cccc(Br)c1 ZINC000125814342 643712109 /nfs/dbraw/zinc/71/21/09/643712109.db2.gz UFURVBHJIPHIBG-CQSZACIVSA-N 1 0 398.301 2.135 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CC(C)(C)S(C)(=O)=O)C1 ZINC000126210378 643724468 /nfs/dbraw/zinc/72/44/68/643724468.db2.gz RUHDAHFAIIQTLC-GJZGRUSLSA-N 1 0 375.579 2.208 20 0 GEADRO O=C(Nc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1)c1ccc(Br)o1 ZINC000126255658 643726117 /nfs/dbraw/zinc/72/61/17/643726117.db2.gz NIXFTUNLXMGDML-LBPRGKRZSA-N 1 0 378.226 2.386 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1I ZINC000126322632 643728570 /nfs/dbraw/zinc/72/85/70/643728570.db2.gz VPSIXUOCMQXGLU-MRVPVSSYSA-N 1 0 395.038 2.145 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000498650449 650861817 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C[NH2+]C[C@H]1CCCN1CC(=O)Nc1ccc(I)cc1C ZINC000128319534 643799322 /nfs/dbraw/zinc/79/93/22/643799322.db2.gz AILULVIDYFJDTM-CYBMUJFWSA-N 1 0 387.265 2.222 20 0 GEADRO COc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c(I)c1 ZINC000128341322 643800058 /nfs/dbraw/zinc/80/00/58/643800058.db2.gz YGYVUDZPNCUOHJ-CQSZACIVSA-N 1 0 388.249 2.370 20 0 GEADRO CCN(CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl)S(C)(=O)=O ZINC000128341534 643800723 /nfs/dbraw/zinc/80/07/23/643800723.db2.gz JIGATXMQIMFLKD-CYBMUJFWSA-N 1 0 385.921 2.243 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000129357937 643821759 /nfs/dbraw/zinc/82/17/59/643821759.db2.gz CZALDNDATWUDDR-UHFFFAOYSA-N 1 0 394.368 2.393 20 0 GEADRO CC(C)[C@@H](CNC(=O)N(CCS(C)(=O)=O)C(C)C)[NH+]1CCC(C)CC1 ZINC000129707244 643826001 /nfs/dbraw/zinc/82/60/01/643826001.db2.gz HHFXXAGHRZGERU-QGZVFWFLSA-N 1 0 375.579 2.208 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000130229472 643832623 /nfs/dbraw/zinc/83/26/23/643832623.db2.gz FLXVWQGNKVEGGR-UHFFFAOYSA-N 1 0 393.912 2.321 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000131726864 643877818 /nfs/dbraw/zinc/87/78/18/643877818.db2.gz JAWQXACLSXCAIG-KBPBESRZSA-N 1 0 394.313 2.403 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000541231438 650871749 /nfs/dbraw/zinc/87/17/49/650871749.db2.gz OCYFBCKDZUQJNO-NSHDSACASA-N 1 0 391.269 2.450 20 0 GEADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2OC)C1 ZINC000133072834 643891783 /nfs/dbraw/zinc/89/17/83/643891783.db2.gz VSTTXMHYXBAZSB-VIFPVBQESA-N 1 0 383.695 2.094 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccnc(Br)c2)CC1 ZINC000135222904 643912163 /nfs/dbraw/zinc/91/21/63/643912163.db2.gz XCRNGZWDXFRUJE-HUUCEWRRSA-N 1 0 395.345 2.475 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000499117113 650874270 /nfs/dbraw/zinc/87/42/70/650874270.db2.gz PFRMHTFCRNLWSD-UHFFFAOYSA-N 1 0 386.323 2.452 20 0 GEADRO S=c1sc(N2CCOCC2)nn1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000151813364 643954427 /nfs/dbraw/zinc/95/44/27/643954427.db2.gz BVMKPDRAFCRYLG-UHFFFAOYSA-N 1 0 383.587 2.276 20 0 GEADRO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000153208361 643980816 /nfs/dbraw/zinc/98/08/16/643980816.db2.gz MQDOCTKGUFLTGW-QWHCGFSZSA-N 1 0 379.448 2.034 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153496700 643989984 /nfs/dbraw/zinc/98/99/84/643989984.db2.gz LOCAKOWPKFCKGQ-GOSISDBHSA-N 1 0 397.313 2.399 20 0 GEADRO C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C[C@@H](C)[NH2+]1 ZINC000153546899 643991560 /nfs/dbraw/zinc/99/15/60/643991560.db2.gz NCFISAYQIRHKLD-VXGBXAGGSA-N 1 0 399.563 2.111 20 0 GEADRO CC1CC[NH+](CCNC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000153572405 643994382 /nfs/dbraw/zinc/99/43/82/643994382.db2.gz HAGXVFIJQRHLQG-UHFFFAOYSA-N 1 0 382.302 2.027 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000153780305 644005304 /nfs/dbraw/zinc/00/53/04/644005304.db2.gz BLXQOJXANAZIHF-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1c(F)cc(Br)cc1F ZINC000153785181 644006057 /nfs/dbraw/zinc/00/60/57/644006057.db2.gz ZYKCIAUDCLVGSY-UHFFFAOYSA-N 1 0 390.272 2.437 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C[C@@H](C)[NH2+]1 ZINC000153789722 644006196 /nfs/dbraw/zinc/00/61/96/644006196.db2.gz MPDBWSXEOLMQEU-VXGBXAGGSA-N 1 0 387.933 2.239 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000153831381 644006845 /nfs/dbraw/zinc/00/68/45/644006845.db2.gz LMDPGGUGAPBDNZ-NSHDSACASA-N 1 0 390.272 2.483 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cncc(Br)c1)C(C)(C)C ZINC000154127891 644019724 /nfs/dbraw/zinc/01/97/24/644019724.db2.gz AXSHZNPELYOCNB-ZDUSSCGKSA-N 1 0 385.306 2.265 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000154161263 644022551 /nfs/dbraw/zinc/02/25/51/644022551.db2.gz QHPKDIGUUOEZKT-HNNXBMFYSA-N 1 0 390.311 2.437 20 0 GEADRO CCC[NH2+]CCNC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000154198004 644024877 /nfs/dbraw/zinc/02/48/77/644024877.db2.gz SBQCJFGLRPEUPX-GFCCVEGCSA-N 1 0 382.555 2.339 20 0 GEADRO C[NH+](C)C[C@H](O)CN[C@H]1CCCOc2ccc(I)cc21 ZINC000154313414 644034036 /nfs/dbraw/zinc/03/40/36/644034036.db2.gz WHRJLAFPJHJWPB-OCCSQVGLSA-N 1 0 390.265 2.017 20 0 GEADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cncc(Br)c1)C(C)C ZINC000154312238 644034111 /nfs/dbraw/zinc/03/41/11/644034111.db2.gz AKRTTZPIUZYVLZ-UHFFFAOYSA-N 1 0 385.306 2.408 20 0 GEADRO [NH3+]CC1(NC(=O)c2[nH]nc3ccc(I)cc32)CCCC1 ZINC000154330938 644036609 /nfs/dbraw/zinc/03/66/09/644036609.db2.gz JXQILOBPLAWQEP-UHFFFAOYSA-N 1 0 384.221 2.169 20 0 GEADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000154473306 644044581 /nfs/dbraw/zinc/04/45/81/644044581.db2.gz FKVAOYZTSVLYJW-OAHLLOKOSA-N 1 0 397.317 2.409 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000154593226 644054595 /nfs/dbraw/zinc/05/45/95/644054595.db2.gz XCKBSXGSRWSDCY-IUODEOHRSA-N 1 0 384.318 2.175 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)CCC(=O)c1ccc(I)cc1 ZINC000154631034 644057223 /nfs/dbraw/zinc/05/72/23/644057223.db2.gz GGQBYPDZEQZNEE-NSHDSACASA-N 1 0 388.249 2.226 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155584675 644075886 /nfs/dbraw/zinc/07/58/86/644075886.db2.gz CUYSCTGXHNNXPZ-UHFFFAOYSA-N 1 0 376.682 2.499 20 0 GEADRO CC[NH+](CC)CCCCNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000156246440 644086706 /nfs/dbraw/zinc/08/67/06/644086706.db2.gz PEDXPLBYIXWLKR-UHFFFAOYSA-N 1 0 375.922 2.100 20 0 GEADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000156525494 644100550 /nfs/dbraw/zinc/10/05/50/644100550.db2.gz KUNBFZXXLRZZFM-HIFRSBDPSA-N 1 0 396.329 2.427 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000156627997 644108939 /nfs/dbraw/zinc/10/89/39/644108939.db2.gz YNZDLIALVQWTNC-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO C[N@H+](CC(=O)N[C@@H](CCO)c1ccccc1Br)[C@H]1CCSC1 ZINC000542907047 650894071 /nfs/dbraw/zinc/89/40/71/650894071.db2.gz 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GEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)C[C@H]1CCCCO1 ZINC000171087249 644307206 /nfs/dbraw/zinc/30/72/06/644307206.db2.gz SEERTMMDHQRZKH-OAHLLOKOSA-N 1 0 376.469 2.227 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)NCCC[NH+]1CCCCC1 ZINC000171440485 644322709 /nfs/dbraw/zinc/32/27/09/644322709.db2.gz BKNLTJKFEHJXJX-UHFFFAOYSA-N 1 0 382.302 2.171 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000172835502 644345590 /nfs/dbraw/zinc/34/55/90/644345590.db2.gz OFZKSGIXNHXMNZ-ZDUSSCGKSA-N 1 0 387.933 2.195 20 0 GEADRO CC1(C)[C@@H]2CN(CN3C(=O)C(=O)N(c4ccc(Br)cc4)C3=O)C[C@@H]21 ZINC000172944079 644347527 /nfs/dbraw/zinc/34/75/27/644347527.db2.gz HQBDYDFJCYSSPY-BETUJISGSA-N 1 0 392.253 2.290 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000543673860 650918686 /nfs/dbraw/zinc/91/86/86/650918686.db2.gz ZNALZLUXJDCUDE-ZDUSSCGKSA-N 1 0 389.315 2.099 20 0 GEADRO CC(C)[NH+]1CCC(C(=O)NCCNC(=O)c2cccc(Br)c2)CC1 ZINC000174449648 644375981 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ZINC000178933212 644445283 /nfs/dbraw/zinc/44/52/83/644445283.db2.gz UXLOBOBNUVHICJ-VIFPVBQESA-N 1 0 383.258 2.490 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Br)cc1Br ZINC000179458927 644461250 /nfs/dbraw/zinc/46/12/50/644461250.db2.gz KMOGLLYUQQKLAB-CYBMUJFWSA-N 1 0 394.107 2.254 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000179728628 644472725 /nfs/dbraw/zinc/47/27/25/644472725.db2.gz SFOALAKTNAUMRX-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000179741527 644473347 /nfs/dbraw/zinc/47/33/47/644473347.db2.gz MERMLPRJQCWFIG-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179818821 644475410 /nfs/dbraw/zinc/47/54/10/644475410.db2.gz HOQQCOKHDBWWJO-HNNXBMFYSA-N 1 0 375.296 2.332 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000179878224 644478398 /nfs/dbraw/zinc/47/83/98/644478398.db2.gz WBGOQOATFQQKEV-NSHDSACASA-N 1 0 385.306 2.184 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000179901896 644479484 /nfs/dbraw/zinc/47/94/84/644479484.db2.gz XXGPIGOYUVFIJK-CYBMUJFWSA-N 1 0 397.317 2.267 20 0 GEADRO C[NH+]1CCN(c2cccc(Cl)c2CNCCS(=O)(=O)C(C)(C)C)CC1 ZINC000180133979 644491197 /nfs/dbraw/zinc/49/11/97/644491197.db2.gz DBRQCJMSSCUODD-UHFFFAOYSA-N 1 0 387.977 2.395 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)ccc1Br ZINC000180175841 644493635 /nfs/dbraw/zinc/49/36/35/644493635.db2.gz UAEMBCFUONRSIN-UHFFFAOYSA-N 1 0 389.315 2.366 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2cccc(Br)n2)ccn1 ZINC000180655076 644512938 /nfs/dbraw/zinc/51/29/38/644512938.db2.gz ZRNQBYPSXNGUCB-UHFFFAOYSA-N 1 0 379.258 2.110 20 0 GEADRO CC[N@H+](CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(C)C ZINC000543938801 650928346 /nfs/dbraw/zinc/92/83/46/650928346.db2.gz IQGFKVFMDQCMRE-UHFFFAOYSA-N 1 0 384.274 2.240 20 0 GEADRO CCc1nn(C)c(Cl)c1C[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000181115134 644524193 /nfs/dbraw/zinc/52/41/93/644524193.db2.gz UQVCBSOODTUBBO-UHFFFAOYSA-N 1 0 376.954 2.176 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c(Br)n1 ZINC000181432241 644536094 /nfs/dbraw/zinc/53/60/94/644536094.db2.gz INNSIPCNCMVBOR-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000544026046 650931236 /nfs/dbraw/zinc/93/12/36/650931236.db2.gz ZEKYXRXOAMXKLH-YOEHRIQHSA-N 1 0 397.313 2.317 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)N[C@H](CO)c2cccc(Cl)c2F)CCSC1 ZINC000544054332 650932008 /nfs/dbraw/zinc/93/20/08/650932008.db2.gz ZMYISJILRXZFHL-CZUORRHYSA-N 1 0 375.897 2.249 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2F)C[C@H]1[NH+](C)C ZINC000544351378 650939587 /nfs/dbraw/zinc/93/95/87/650939587.db2.gz QSNMFLCBJKPNDR-GHMZBOCLSA-N 1 0 397.335 2.254 20 0 GEADRO Cc1ccc(NC(=O)C[NH2+][C@@H](c2cccs2)C2CC2)cc1S(N)(=O)=O ZINC000544401047 650941374 /nfs/dbraw/zinc/94/13/74/650941374.db2.gz WDVHVHMDOVXKOS-QGZVFWFLSA-N 1 0 379.507 2.383 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000545155453 650962895 /nfs/dbraw/zinc/96/28/95/650962895.db2.gz SWLIEFSYFFHYLB-MRXNPFEDSA-N 1 0 398.326 2.174 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000545162777 650963377 /nfs/dbraw/zinc/96/33/77/650963377.db2.gz PINZOSQCHRDGDC-CQSZACIVSA-N 1 0 381.782 2.469 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000545162417 650963435 /nfs/dbraw/zinc/96/34/35/650963435.db2.gz KSHHSOQSSFXLCZ-MRXNPFEDSA-N 1 0 386.290 2.424 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)c1ccc(Br)cc1 ZINC000181865245 644950425 /nfs/dbraw/zinc/95/04/25/644950425.db2.gz ZCHXJDKLSMYGLI-CQSZACIVSA-N 1 0 398.345 2.327 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cnc1Br ZINC000182716167 644968738 /nfs/dbraw/zinc/96/87/38/644968738.db2.gz CCHYCBKTACAPIE-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000182731587 644970578 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O=c1ccn(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c2c(Br)cccc12 ZINC000184291277 645015951 /nfs/dbraw/zinc/01/59/51/645015951.db2.gz DLFVOALLELAGCX-KRWDZBQOSA-N 1 0 379.254 2.213 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000184719319 645024461 /nfs/dbraw/zinc/02/44/61/645024461.db2.gz JOZFGIURMXCELS-UHFFFAOYSA-N 1 0 382.218 2.368 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186728131 645072473 /nfs/dbraw/zinc/07/24/73/645072473.db2.gz YMVMOUZYGSWRBK-SOUVJXGZSA-N 1 0 384.567 2.465 20 0 GEADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCO1 ZINC000187045599 645081102 /nfs/dbraw/zinc/08/11/02/645081102.db2.gz LMCVNMHIYLPHBK-GFCCVEGCSA-N 1 0 386.823 2.310 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C1CCS(=O)(=O)CC1 ZINC000187091051 645082859 /nfs/dbraw/zinc/08/28/59/645082859.db2.gz PIYDFKGUDLQNPC-LLVKDONJSA-N 1 0 389.315 2.191 20 0 GEADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCOc2cccc(Br)c2)C1(C)C ZINC000187491310 645092216 /nfs/dbraw/zinc/09/22/16/645092216.db2.gz ZUGLJUWYFGOGGZ-RHSMWYFYSA-N 1 0 385.302 2.477 20 0 GEADRO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1Cl ZINC000187742627 645097655 /nfs/dbraw/zinc/09/76/55/645097655.db2.gz CLKNBUNCIUZAQO-UHFFFAOYSA-N 1 0 383.857 2.457 20 0 GEADRO CCn1nccc1N1CCC[C@H]([NH2+][C@H](C)Cn2cc(Br)cn2)C1=O ZINC000188552156 645118588 /nfs/dbraw/zinc/11/85/88/645118588.db2.gz HMCHPVVVJXBEFO-OCCSQVGLSA-N 1 0 395.305 2.036 20 0 GEADRO CCn1nccc1N1CCC[C@@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)C1=O ZINC000188552135 645118603 /nfs/dbraw/zinc/11/86/03/645118603.db2.gz HMCHPVVVJXBEFO-GXTWGEPZSA-N 1 0 395.305 2.036 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000188608231 645121229 /nfs/dbraw/zinc/12/12/29/645121229.db2.gz VNIRPGQJTMYALD-CORIIIEPSA-N 1 0 380.432 2.468 20 0 GEADRO C[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)Oc1ccccc1Br ZINC000188627229 645123074 /nfs/dbraw/zinc/12/30/74/645123074.db2.gz FFLJYKOZXKCHQP-SNVBAGLBSA-N 1 0 379.258 2.015 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188780471 645125113 /nfs/dbraw/zinc/12/51/13/645125113.db2.gz OFPNOHQHDSEMON-UHOFOFEASA-N 1 0 384.293 2.354 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000545864318 650982510 /nfs/dbraw/zinc/98/25/10/650982510.db2.gz UXOFULGVGRUBHN-OAHLLOKOSA-N 1 0 375.694 2.218 20 0 GEADRO CCOc1c(Br)cc(CN2CC[NH+](C[C@H](C)O)CC2)cc1OC ZINC000189851293 645143832 /nfs/dbraw/zinc/14/38/32/645143832.db2.gz WRDKFAZTXDVZOY-ZDUSSCGKSA-N 1 0 387.318 2.355 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545885477 650983788 /nfs/dbraw/zinc/98/37/88/650983788.db2.gz XGWMWUZYMJXZRX-CXAGYDPISA-N 1 0 384.318 2.136 20 0 GEADRO COc1cc(Cl)c(Br)cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000191893350 645185761 /nfs/dbraw/zinc/18/57/61/645185761.db2.gz XRJCDLYUGAPJCX-UHFFFAOYSA-N 1 0 390.709 2.088 20 0 GEADRO CN1C(=O)C[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000192157336 645197203 /nfs/dbraw/zinc/19/72/03/645197203.db2.gz WCNUSTAQZZJTBL-OCCSQVGLSA-N 1 0 377.794 2.270 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3ncc(Br)s3)CC2)CC1 ZINC000192415339 645203142 /nfs/dbraw/zinc/20/31/42/645203142.db2.gz ASHUIVRJLWKZIH-UHFFFAOYSA-N 1 0 387.347 2.194 20 0 GEADRO COc1cccc2c1CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)C2 ZINC000192446028 645207007 /nfs/dbraw/zinc/20/70/07/645207007.db2.gz FVAKFXMVJMKNJJ-CABCVRRESA-N 1 0 381.519 2.038 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000192583641 645212586 /nfs/dbraw/zinc/21/25/86/645212586.db2.gz ILIWGKIAMKHWAT-NSHDSACASA-N 1 0 398.276 2.436 20 0 GEADRO CCS[C@H]1CCCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000192637909 645216814 /nfs/dbraw/zinc/21/68/14/645216814.db2.gz UVWKVZLTNKKAJA-INIZCTEOSA-N 1 0 388.603 2.358 20 0 GEADRO C[C@H]1C[NH+](CCC(=O)NNC(=O)Cc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000192903928 645228760 /nfs/dbraw/zinc/22/87/60/645228760.db2.gz LDPKXLPAYHLOCP-RYUDHWBXSA-N 1 0 388.295 2.183 20 0 GEADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000193035113 645235403 /nfs/dbraw/zinc/23/54/03/645235403.db2.gz WHTOJTJFONWYEF-PXAZEXFGSA-N 1 0 387.933 2.228 20 0 GEADRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193091544 645239955 /nfs/dbraw/zinc/23/99/55/645239955.db2.gz QTAZXLCFYSJJHW-RWMBFGLXSA-N 1 0 397.317 2.265 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ncc1Br ZINC000193107760 645242337 /nfs/dbraw/zinc/24/23/37/645242337.db2.gz IISAJZNUJIZNKI-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000193235305 645253536 /nfs/dbraw/zinc/25/35/36/645253536.db2.gz KGWAGVHKNVHVAD-LBPRGKRZSA-N 1 0 376.906 2.032 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000193265211 645257959 /nfs/dbraw/zinc/25/79/59/645257959.db2.gz IVMRDRVOGATGQM-JTQLQIEISA-N 1 0 395.294 2.359 20 0 GEADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1cc(Br)cc2c1OCC2 ZINC000193271805 645258980 /nfs/dbraw/zinc/25/89/80/645258980.db2.gz CJRRTYRCGGABSI-LLVKDONJSA-N 1 0 389.315 2.052 20 0 GEADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000193276749 645259497 /nfs/dbraw/zinc/25/94/97/645259497.db2.gz QCBZAZMKAFPCEV-UKRRQHHQSA-N 1 0 390.933 2.422 20 0 GEADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193276724 645259648 /nfs/dbraw/zinc/25/96/48/645259648.db2.gz QCBZAZMKAFPCEV-HIFRSBDPSA-N 1 0 390.933 2.422 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000193282795 645260905 /nfs/dbraw/zinc/26/09/05/645260905.db2.gz KIIZEOYGDSAXDF-SECBINFHSA-N 1 0 383.283 2.249 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)C1CC1 ZINC000193285149 645261355 /nfs/dbraw/zinc/26/13/55/645261355.db2.gz UTLQRCKRYBMKCM-UHFFFAOYSA-N 1 0 394.313 2.477 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000193286239 645261453 /nfs/dbraw/zinc/26/14/53/645261453.db2.gz JHDYSACGLBFROE-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000193287143 645262064 /nfs/dbraw/zinc/26/20/64/645262064.db2.gz DQHYLHCFMCUIEE-BXKDBHETSA-N 1 0 395.294 2.345 20 0 GEADRO CC(C)([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193295521 645263270 /nfs/dbraw/zinc/26/32/70/645263270.db2.gz CQYJAIVSIAXPEX-ZDUSSCGKSA-N 1 0 376.906 2.304 20 0 GEADRO CC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[NH2+]CC1 ZINC000193376181 645268856 /nfs/dbraw/zinc/26/88/56/645268856.db2.gz JFPNRQCLQCEEGU-UHFFFAOYSA-N 1 0 392.275 2.025 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000546197555 650995314 /nfs/dbraw/zinc/99/53/14/650995314.db2.gz QCYXZVSHADABKC-UHFFFAOYSA-N 1 0 390.347 2.278 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000193414694 645270624 /nfs/dbraw/zinc/27/06/24/645270624.db2.gz VTSOFUHDWAVPEA-GWCFXTLKSA-N 1 0 377.304 2.124 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000193414719 645270648 /nfs/dbraw/zinc/27/06/48/645270648.db2.gz VTSOFUHDWAVPEA-MFKMUULPSA-N 1 0 377.304 2.124 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193462253 645275553 /nfs/dbraw/zinc/27/55/53/645275553.db2.gz CAYOGRAHVGELQP-OUCADQQQSA-N 1 0 376.906 2.173 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1Br ZINC000193546072 645281607 /nfs/dbraw/zinc/28/16/07/645281607.db2.gz DOIPBCLRGDQSNW-LLVKDONJSA-N 1 0 385.306 2.184 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193566674 645284531 /nfs/dbraw/zinc/28/45/31/645284531.db2.gz LVSCLLOBAGRLPL-WBMJQRKESA-N 1 0 387.933 2.241 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ncc1Br ZINC000193575087 645285387 /nfs/dbraw/zinc/28/53/87/645285387.db2.gz ZUCKYNRDHAGQFW-TZMCWYRMSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)nnn1-c1cccc(Br)c1 ZINC000193575832 645286042 /nfs/dbraw/zinc/28/60/42/645286042.db2.gz LACQEUPWCWQFKW-IINYFYTJSA-N 1 0 378.274 2.209 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000193747055 645295795 /nfs/dbraw/zinc/29/57/95/645295795.db2.gz IHVBWUUPXJOQCT-UHFFFAOYSA-N 1 0 396.207 2.426 20 0 GEADRO CS(=O)(=O)c1csc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193806136 645300687 /nfs/dbraw/zinc/30/06/87/645300687.db2.gz ZBFFZPPVVDCRAU-HNNXBMFYSA-N 1 0 378.519 2.404 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000194589512 645336038 /nfs/dbraw/zinc/33/60/38/645336038.db2.gz FQQPODJQICVZCL-UHFFFAOYSA-N 1 0 385.848 2.440 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000546563574 651001851 /nfs/dbraw/zinc/00/18/51/651001851.db2.gz LZOUVNVFNUWKGF-GOSISDBHSA-N 1 0 393.329 2.408 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)cc1Br ZINC000546569515 651002164 /nfs/dbraw/zinc/00/21/64/651002164.db2.gz KHJDHXOGYIVCSE-UHFFFAOYSA-N 1 0 396.285 2.164 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194698444 645343425 /nfs/dbraw/zinc/34/34/25/645343425.db2.gz SWMMHNZNNKKXIO-WBMJQRKESA-N 1 0 397.313 2.056 20 0 GEADRO [NH3+]CCCCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000194740337 645346495 /nfs/dbraw/zinc/34/64/95/645346495.db2.gz OQCFXWWVEMANOE-UHFFFAOYSA-N 1 0 375.210 2.485 20 0 GEADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000195005906 645354126 /nfs/dbraw/zinc/35/41/26/645354126.db2.gz JZYMXXCDEAFGDC-MADCSZMMSA-N 1 0 391.107 2.408 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000195356506 645374276 /nfs/dbraw/zinc/37/42/76/645374276.db2.gz WASBXNCEPJFBQY-UHFFFAOYSA-N 1 0 399.285 2.061 20 0 GEADRO O=C(c1cc(I)ccc1O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000224555962 645388397 /nfs/dbraw/zinc/38/83/97/645388397.db2.gz ZVFDYYIXZIXTOJ-LBPRGKRZSA-N 1 0 386.233 2.307 20 0 GEADRO C[N@H+](CCCCCO)CC(=O)Nc1ccccc1I ZINC000227117711 645392469 /nfs/dbraw/zinc/39/24/69/645392469.db2.gz HVEQTMODWXUYSR-UHFFFAOYSA-N 1 0 376.238 2.324 20 0 GEADRO CS(=O)(=O)CC[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227808887 645393799 /nfs/dbraw/zinc/39/37/99/645393799.db2.gz PVMSRKUPJUFRRK-UHFFFAOYSA-N 1 0 377.123 2.407 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2ccc(F)cc2I)[C@@H](C[NH3+])C1 ZINC000227833784 645394384 /nfs/dbraw/zinc/39/43/84/645394384.db2.gz UOHSFSJHHWYCSS-GHMZBOCLSA-N 1 0 392.212 2.009 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000228073743 645395086 /nfs/dbraw/zinc/39/50/86/645395086.db2.gz FIHGDLBFZIGLGN-VXGBXAGGSA-N 1 0 387.265 2.207 20 0 GEADRO O=C(c1ccc(I)c(O)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000230892977 645401219 /nfs/dbraw/zinc/40/12/19/645401219.db2.gz AKMJLJCYTFFYCC-LBPRGKRZSA-N 1 0 386.233 2.307 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(I)c(O)c1 ZINC000230892994 645401299 /nfs/dbraw/zinc/40/12/99/645401299.db2.gz OWJBMOJLCNDSMD-SNVBAGLBSA-N 1 0 376.238 2.457 20 0 GEADRO C[C@@H]1CCN(C(=O)c2ccc(F)cc2I)C[C@H]1C[NH3+] ZINC000235312446 645408702 /nfs/dbraw/zinc/40/87/02/645408702.db2.gz YIPNVAZPLYUGKF-NXEZZACHSA-N 1 0 376.213 2.487 20 0 GEADRO C[C@H]1CCN(C(=O)c2ccc(F)cc2I)C[C@@H]1C[NH3+] ZINC000235655866 645409590 /nfs/dbraw/zinc/40/95/90/645409590.db2.gz YIPNVAZPLYUGKF-UWVGGRQHSA-N 1 0 376.213 2.487 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 ZINC000236242538 645410240 /nfs/dbraw/zinc/41/02/40/645410240.db2.gz GNRNSTDXVLGIHJ-SECBINFHSA-N 1 0 378.064 2.011 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000236571097 645411716 /nfs/dbraw/zinc/41/17/16/645411716.db2.gz RRLAUTJMIAYVQA-DZGCQCFKSA-N 1 0 398.370 2.487 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)NCCC[NH3+])c(Cl)cc1Cl ZINC000236579942 645412551 /nfs/dbraw/zinc/41/25/51/645412551.db2.gz QSZNFMQNCKRDFS-UHFFFAOYSA-N 1 0 382.313 2.006 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000236577879 645412584 /nfs/dbraw/zinc/41/25/84/645412584.db2.gz DIEYREBYPIFQGR-OLZOCXBDSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(C[NH2+]C1CC1)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000236582228 645413226 /nfs/dbraw/zinc/41/32/26/645413226.db2.gz 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CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000277530680 646437674 /nfs/dbraw/zinc/43/76/74/646437674.db2.gz LOWFZMRELRDHGP-LRDDRELGSA-N 1 0 387.933 2.097 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000277603557 646449887 /nfs/dbraw/zinc/44/98/87/646449887.db2.gz PBIDSDYIRVMKKS-BBRMVZONSA-N 1 0 396.329 2.397 20 0 GEADRO Cc1c(Br)cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(=O)n1C ZINC000277842704 646477421 /nfs/dbraw/zinc/47/74/21/646477421.db2.gz IYUJPJHKEAZOOF-CYBMUJFWSA-N 1 0 382.302 2.203 20 0 GEADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(F)c(Cl)c2)CCCO1 ZINC000277849808 646477967 /nfs/dbraw/zinc/47/79/67/646477967.db2.gz MNIRGCXIVTWVEQ-ZDUSSCGKSA-N 1 0 378.897 2.399 20 0 GEADRO Cc1c(Br)cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(=O)n1C ZINC000277982262 646486174 /nfs/dbraw/zinc/48/61/74/646486174.db2.gz ZSZUBERCENNJMQ-LLVKDONJSA-N 1 0 384.318 2.259 20 0 GEADRO O=C1N[C@]2(CCSC2)C(=O)N1c1ccc(CC[NH+]2CCSCC2)cc1 ZINC000278053315 646487710 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SRULMVCZQFELQL-UHOFOFEASA-N 1 0 385.302 2.410 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c(C)c1Cl ZINC000279126077 646580036 /nfs/dbraw/zinc/58/00/36/646580036.db2.gz QONIJLVSQSAQRD-UHFFFAOYSA-N 1 0 380.919 2.211 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)c1F ZINC000279398431 646598903 /nfs/dbraw/zinc/59/89/03/646598903.db2.gz METFHVXLIDUUIR-UHFFFAOYSA-N 1 0 384.249 2.213 20 0 GEADRO CCc1n[nH]c(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000279481172 646603749 /nfs/dbraw/zinc/60/37/49/646603749.db2.gz OHQBZIJGSAAZCJ-RYUDHWBXSA-N 1 0 387.322 2.354 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000279683460 646622214 /nfs/dbraw/zinc/62/22/14/646622214.db2.gz FBMXHKPHZSASSV-ZIAGYGMSSA-N 1 0 387.571 2.461 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000279683455 646622305 /nfs/dbraw/zinc/62/23/05/646622305.db2.gz FBMXHKPHZSASSV-KGLIPLIRSA-N 1 0 387.571 2.461 20 0 GEADRO C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000279762205 646624330 /nfs/dbraw/zinc/62/43/30/646624330.db2.gz ZZQZZWQGHRGVDL-ZDUSSCGKSA-N 1 0 397.317 2.411 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000279961027 646640576 /nfs/dbraw/zinc/64/05/76/646640576.db2.gz SVEGIYMTGKJNIH-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000280024837 646646035 /nfs/dbraw/zinc/64/60/35/646646035.db2.gz UGOMEKTYJCDTCK-SMDDNHRTSA-N 1 0 385.306 2.005 20 0 GEADRO CC(C)N1CC[C@@H](N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1=O ZINC000280274339 646666125 /nfs/dbraw/zinc/66/61/25/646666125.db2.gz YBIMYRBBWYFCEJ-TVQRCGJNSA-N 1 0 394.324 2.301 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000280352110 646672923 /nfs/dbraw/zinc/67/29/23/646672923.db2.gz TTYQCJMDXBKIKB-ZDUSSCGKSA-N 1 0 399.333 2.440 20 0 GEADRO COC(=O)CC1([NH2+]Cc2nnnn2-c2ccccc2Br)CCCC1 ZINC000280397224 646677909 /nfs/dbraw/zinc/67/79/09/646677909.db2.gz KQZXJNLEZKFWHQ-UHFFFAOYSA-N 1 0 394.273 2.390 20 0 GEADRO CC[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280445392 646682820 /nfs/dbraw/zinc/68/28/20/646682820.db2.gz CYCMDMLNSBEVJB-DZGCQCFKSA-N 1 0 378.947 2.157 20 0 GEADRO O=S(=O)(c1cncc(Cl)c1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280493067 646687558 /nfs/dbraw/zinc/68/75/58/646687558.db2.gz OQTJUTGKGCPYQZ-IYBDPMFKSA-N 1 0 377.897 2.488 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC000280506823 646689038 /nfs/dbraw/zinc/68/90/38/646689038.db2.gz WVZFGXVKQZHGHX-CQSZACIVSA-N 1 0 385.555 2.312 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000280506818 646689048 /nfs/dbraw/zinc/68/90/48/646689048.db2.gz WVZFGXVKQZHGHX-AWEZNQCLSA-N 1 0 385.555 2.312 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCCn3cc(Br)cn3)[C@@H]2C1 ZINC000280520627 646690511 /nfs/dbraw/zinc/69/05/11/646690511.db2.gz XPVBLOPJXDVETN-UKRRQHHQSA-N 1 0 384.322 2.161 20 0 GEADRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280696561 646707466 /nfs/dbraw/zinc/70/74/66/646707466.db2.gz LAVTXBVSOUTWJH-PWSUYJOCSA-N 1 0 379.320 2.154 20 0 GEADRO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000280706134 646708238 /nfs/dbraw/zinc/70/82/38/646708238.db2.gz LWNNSYMNFABKAI-NEPJUHHUSA-N 1 0 390.347 2.089 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280774539 646715140 /nfs/dbraw/zinc/71/51/40/646715140.db2.gz HOEYTFPLBZKCJN-PXAZEXFGSA-N 1 0 380.286 2.202 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280774544 646715147 /nfs/dbraw/zinc/71/51/47/646715147.db2.gz HOEYTFPLBZKCJN-SJKOYZFVSA-N 1 0 380.286 2.202 20 0 GEADRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280798234 646717860 /nfs/dbraw/zinc/71/78/60/646717860.db2.gz UOKNKERHIKHGGH-IINYFYTJSA-N 1 0 379.320 2.298 20 0 GEADRO CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280803958 646718978 /nfs/dbraw/zinc/71/89/78/646718978.db2.gz IOPXEKANXASGHQ-WJFWATLMSA-N 1 0 380.963 2.446 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000280899055 646730254 /nfs/dbraw/zinc/73/02/54/646730254.db2.gz SWBJPCVBXMFKCO-UHFFFAOYSA-N 1 0 394.317 2.083 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2c[nH]c3ncc(Br)cc23)CCOCC1 ZINC000280971574 646733793 /nfs/dbraw/zinc/73/37/93/646733793.db2.gz RRKHFGPWFDLKRM-UHFFFAOYSA-N 1 0 381.274 2.166 20 0 GEADRO CC[C@H]([NH2+]CCN(C)CCCOC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280977136 646734514 /nfs/dbraw/zinc/73/45/14/646734514.db2.gz VXTMEOYMHBPXHG-INIZCTEOSA-N 1 0 391.965 2.257 20 0 GEADRO C[C@@H]([NH2+]CCCCCCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281111201 646747140 /nfs/dbraw/zinc/74/71/40/646747140.db2.gz LWQXFNGIRHSTLK-LLVKDONJSA-N 1 0 379.320 2.300 20 0 GEADRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C1 ZINC000281229008 646756244 /nfs/dbraw/zinc/75/62/44/646756244.db2.gz MDLPLMCPEHQCNX-IAGOWNOFSA-N 1 0 383.583 2.384 20 0 GEADRO C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281264363 646757386 /nfs/dbraw/zinc/75/73/86/646757386.db2.gz YDGUATKOFAVFIS-QWRGUYRKSA-N 1 0 379.320 2.156 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c[nH]c2ncc(Br)cc12 ZINC000281359716 646764410 /nfs/dbraw/zinc/76/44/10/646764410.db2.gz ANRHYWGLZOHTSQ-ZDUSSCGKSA-N 1 0 395.301 2.292 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000281388722 646767371 /nfs/dbraw/zinc/76/73/71/646767371.db2.gz XSDXFZNDWZJLIR-UHFFFAOYSA-N 1 0 387.933 2.229 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000281431300 646771000 /nfs/dbraw/zinc/77/10/00/646771000.db2.gz LDTGFQFPJGWADA-UHFFFAOYSA-N 1 0 398.301 2.341 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)[NH+](C)C ZINC000281709052 646790908 /nfs/dbraw/zinc/79/09/08/646790908.db2.gz QQEAGMFEHJAUSU-ZETCQYMHSA-N 1 0 380.645 2.246 20 0 GEADRO CC(C)[C@H](C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)[NH+](C)C ZINC000282015820 646810552 /nfs/dbraw/zinc/81/05/52/646810552.db2.gz 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GEADRO COc1cc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc(OC)c1Br ZINC000415417952 648104359 /nfs/dbraw/zinc/10/43/59/648104359.db2.gz WUEOIRSTUDHQHM-NSHDSACASA-N 1 0 388.262 2.048 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415418638 648104361 /nfs/dbraw/zinc/10/43/61/648104361.db2.gz SFLLINUBSOFEDX-MRVPVSSYSA-N 1 0 396.207 2.378 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415477067 648106549 /nfs/dbraw/zinc/10/65/49/648106549.db2.gz AHJARXNGCBKWGV-UHFFFAOYSA-N 1 0 378.217 2.109 20 0 GEADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2s1 ZINC000415587769 648107345 /nfs/dbraw/zinc/10/73/45/648107345.db2.gz OIDGJDDMDFEWFJ-NHCYSSNCSA-N 1 0 378.885 2.392 20 0 GEADRO COc1ccc(NC(=O)N2CCC[C@@H]([NH3+])C2)c(I)c1 ZINC000415592511 648108102 /nfs/dbraw/zinc/10/81/02/648108102.db2.gz FCYKOJXHNFPEDA-SECBINFHSA-N 1 0 375.210 2.255 20 0 GEADRO COc1ccc(NC(=O)N[C@@H]2CCC[NH2+]C2)c(I)c1 ZINC000415596805 648108537 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COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415630287 648111769 /nfs/dbraw/zinc/11/17/69/648111769.db2.gz DDXWNEAZWQWTSB-SDBXPKJASA-N 1 0 388.237 2.494 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000416432116 648125875 /nfs/dbraw/zinc/12/58/75/648125875.db2.gz JIURKFZKUZRRCU-TZMCWYRMSA-N 1 0 386.901 2.231 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000416470059 648136623 /nfs/dbraw/zinc/13/66/23/648136623.db2.gz LJLZSVHOJAIVJY-LBPRGKRZSA-N 1 0 376.906 2.462 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000416495080 648148433 /nfs/dbraw/zinc/14/84/33/648148433.db2.gz KRBPGCRUTRVUFQ-VIFPVBQESA-N 1 0 381.281 2.010 20 0 GEADRO CCOc1ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1Br ZINC000416509659 648153980 /nfs/dbraw/zinc/15/39/80/648153980.db2.gz RYLZAILURKPDMX-UHFFFAOYSA-N 1 0 379.320 2.466 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1Cl ZINC000416517908 648156457 /nfs/dbraw/zinc/15/64/57/648156457.db2.gz BQBMVEHLRKBKLR-UHFFFAOYSA-N 1 0 376.906 2.464 20 0 GEADRO COc1cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000416555125 648170038 /nfs/dbraw/zinc/17/00/38/648170038.db2.gz KGKZSVMKLBXHNT-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)oc1C ZINC000416560502 648172066 /nfs/dbraw/zinc/17/20/66/648172066.db2.gz SKHUACKQUMIWHQ-UHFFFAOYSA-N 1 0 386.495 2.189 20 0 GEADRO O=S(=O)(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1sccc1F ZINC000416613084 648187988 /nfs/dbraw/zinc/18/79/88/648187988.db2.gz GRHNDDPLRBKMKV-UHFFFAOYSA-N 1 0 384.498 2.193 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000416827050 648213821 /nfs/dbraw/zinc/21/38/21/648213821.db2.gz KMOHVZOFSFCQTE-ZDUSSCGKSA-N 1 0 397.317 2.337 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000416836828 648214675 /nfs/dbraw/zinc/21/46/75/648214675.db2.gz WELVADIKDAGVBH-CYBMUJFWSA-N 1 0 383.290 2.219 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H](c1cccs1)C1CC1 ZINC000416936421 648217470 /nfs/dbraw/zinc/21/74/70/648217470.db2.gz YCEVSRBUECGGMG-ZIAGYGMSSA-N 1 0 376.448 2.335 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2c(F)cc(Cl)c(C)c2F)CC[N@H+](C)C1 ZINC000416956876 648219045 /nfs/dbraw/zinc/21/90/45/648219045.db2.gz KIWUQUBSCGCIBX-JTQLQIEISA-N 1 0 375.803 2.495 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(C)ccc2Br)CC[N@H+](C)C1 ZINC000416962656 648219620 /nfs/dbraw/zinc/21/96/20/648219620.db2.gz QUDFJOXQHTVVQW-GFCCVEGCSA-N 1 0 384.274 2.326 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000417063922 648223543 /nfs/dbraw/zinc/22/35/43/648223543.db2.gz OELXIRRPODQFHA-UHFFFAOYSA-N 1 0 390.315 2.340 20 0 GEADRO O=C(NCCOc1cccc(Br)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417211590 648232547 /nfs/dbraw/zinc/23/25/47/648232547.db2.gz RWYNXIRZNQSSTM-GFCCVEGCSA-N 1 0 378.217 2.124 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417215731 648233371 /nfs/dbraw/zinc/23/33/71/648233371.db2.gz XIFHDWRJUAKPTC-IUODEOHRSA-N 1 0 397.317 2.090 20 0 GEADRO O=C(NCc1cn2cc(Br)ccc2n1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417219198 648233606 /nfs/dbraw/zinc/23/36/06/648233606.db2.gz MKBYEJAXWCIBKP-OUCADQQQSA-N 1 0 392.301 2.284 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417226086 648234743 /nfs/dbraw/zinc/23/47/43/648234743.db2.gz ONHJWAYWHSITAH-ZDUSSCGKSA-N 1 0 397.317 2.419 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000417227934 648235116 /nfs/dbraw/zinc/23/51/16/648235116.db2.gz VVYVIAIRBFPQPG-GFCCVEGCSA-N 1 0 380.290 2.238 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417230701 648235525 /nfs/dbraw/zinc/23/55/25/648235525.db2.gz WMEMTANMUXYYEW-FZMZJTMJSA-N 1 0 383.290 2.075 20 0 GEADRO CSc1ccc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000417251302 648236522 /nfs/dbraw/zinc/23/65/22/648236522.db2.gz HMLMHHJKNMABRG-CQSZACIVSA-N 1 0 376.448 2.044 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417295746 648237889 /nfs/dbraw/zinc/23/78/89/648237889.db2.gz FNLIAKWAIWNJPS-INIZCTEOSA-N 1 0 384.274 2.101 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417380657 648242379 /nfs/dbraw/zinc/24/23/79/648242379.db2.gz KWFDAFCNCDGOJF-LBPRGKRZSA-N 1 0 378.217 2.254 20 0 GEADRO COc1cc(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc(Br)c1OC ZINC000417380796 648242423 /nfs/dbraw/zinc/24/24/23/648242423.db2.gz VGAAPSXQQGKGCU-JQWIXIFHSA-N 1 0 386.290 2.345 20 0 GEADRO COCC1(CNC(=O)NCc2sccc2Br)CC[NH2+]CC1 ZINC000417406548 648243025 /nfs/dbraw/zinc/24/30/25/648243025.db2.gz RNAJZNAZVIJGPF-UHFFFAOYSA-N 1 0 376.320 2.326 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000417421393 648244002 /nfs/dbraw/zinc/24/40/02/648244002.db2.gz MFRMMRCJCOQMKS-UHFFFAOYSA-N 1 0 388.559 2.200 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000417430224 648244480 /nfs/dbraw/zinc/24/44/80/648244480.db2.gz OYJBLMPIKROASG-CQSZACIVSA-N 1 0 396.329 2.488 20 0 GEADRO COc1ccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000417432173 648245043 /nfs/dbraw/zinc/24/50/43/648245043.db2.gz SKKMKEFOPDGFGL-LBPRGKRZSA-N 1 0 378.217 2.254 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417477687 648247767 /nfs/dbraw/zinc/24/77/67/648247767.db2.gz GWNAVQGGCQQNKF-GUTXKFCHSA-N 1 0 381.318 2.420 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417478385 648248179 /nfs/dbraw/zinc/24/81/79/648248179.db2.gz DOICSZDVXNNOAN-HNNXBMFYSA-N 1 0 399.333 2.386 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417480894 648248534 /nfs/dbraw/zinc/24/85/34/648248534.db2.gz NCSNRDMPQZMXNV-UNEWFSDZSA-N 1 0 393.329 2.421 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417478955 648248730 /nfs/dbraw/zinc/24/87/30/648248730.db2.gz DXEHCDGZHQNVGW-CQSZACIVSA-N 1 0 383.290 2.123 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417485081 648249427 /nfs/dbraw/zinc/24/94/27/648249427.db2.gz VZARYPRDBXZKCB-IVMMDQJWSA-N 1 0 381.318 2.325 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417486026 648249965 /nfs/dbraw/zinc/24/99/65/648249965.db2.gz XQSNPBZABYOXAF-KCQAQPDRSA-N 1 0 381.318 2.407 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417600216 648255151 /nfs/dbraw/zinc/25/51/51/648255151.db2.gz JHHLFEQEFQKYAX-MCIONIFRSA-N 1 0 381.318 2.454 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417603160 648255565 /nfs/dbraw/zinc/25/55/65/648255565.db2.gz QIALYESPOFVMRB-UMVBOHGHSA-N 1 0 381.318 2.325 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417604282 648255950 /nfs/dbraw/zinc/25/59/50/648255950.db2.gz UJORIUFGZBYWMI-SUMWQHHRSA-N 1 0 381.318 2.408 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417729660 648259851 /nfs/dbraw/zinc/25/98/51/648259851.db2.gz NELJFXXZMOQAOA-ZYHUDNBSSA-N 1 0 393.289 2.113 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000417833196 648262858 /nfs/dbraw/zinc/26/28/58/648262858.db2.gz LSWKDYPGLCGCFC-SECBINFHSA-N 1 0 376.770 2.034 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417882864 648264647 /nfs/dbraw/zinc/26/46/47/648264647.db2.gz GMKCJPANWFGENT-HNNXBMFYSA-N 1 0 383.334 2.450 20 0 GEADRO CC(C)(C[NH3+])NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417888337 648264688 /nfs/dbraw/zinc/26/46/88/648264688.db2.gz MEZBNWYNBDRENN-UHFFFAOYSA-N 1 0 383.334 2.450 20 0 GEADRO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(F)cc1I ZINC000417907011 648266180 /nfs/dbraw/zinc/26/61/80/648266180.db2.gz GIHWFGZGGPKJPX-LBPRGKRZSA-N 1 0 391.272 2.156 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000417930017 648266486 /nfs/dbraw/zinc/26/64/86/648266486.db2.gz ATIQKCSEKYQLOY-HNNXBMFYSA-N 1 0 380.901 2.375 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(F)cc1I)C1CCOCC1 ZINC000417924768 648266624 /nfs/dbraw/zinc/26/66/24/648266624.db2.gz IUUATIBFHXLZGG-CQSZACIVSA-N 1 0 379.213 2.307 20 0 GEADRO [NH3+]CC1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000418000363 648268767 /nfs/dbraw/zinc/26/87/67/648268767.db2.gz WYUYEWQCCRKVJW-HNNXBMFYSA-N 1 0 385.295 2.479 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@@H](C)CCC[NH3+])C2=O)ccc1Br ZINC000418006320 648269078 /nfs/dbraw/zinc/26/90/78/648269078.db2.gz DYQSHUKFKJOAEH-SWLSCSKDSA-N 1 0 397.317 2.289 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)NCC(C)(C)[NH3+])C2=O)ccc1Br ZINC000418003105 648269176 /nfs/dbraw/zinc/26/91/76/648269176.db2.gz BELIJLITUURZRG-CQSZACIVSA-N 1 0 397.317 2.289 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)NC[C@H](C)C[NH3+])C2=O)ccc1Br ZINC000418006837 648269186 /nfs/dbraw/zinc/26/91/86/648269186.db2.gz FIWKYGYLPMDFJE-ABAIWWIYSA-N 1 0 397.317 2.147 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)nc12 ZINC000418015482 648269944 /nfs/dbraw/zinc/26/99/44/648269944.db2.gz DRJGYLQKXFOVCU-HZMBPMFUSA-N 1 0 380.290 2.202 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[C@H](C[NH3+])C3)nc12 ZINC000418016268 648270557 /nfs/dbraw/zinc/27/05/57/648270557.db2.gz FSGNHQZFKFJUHD-JSGCOSHPSA-N 1 0 394.317 2.374 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)nc12 ZINC000418017933 648271005 /nfs/dbraw/zinc/27/10/05/648271005.db2.gz HYHKZFUHYBDOJF-WFASDCNBSA-N 1 0 394.317 2.245 20 0 GEADRO [NH3+]CCN(CCO)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000418023017 648271394 /nfs/dbraw/zinc/27/13/94/648271394.db2.gz BHZVAPTZFXUKJT-INIZCTEOSA-N 1 0 384.318 2.123 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000418029670 648272241 /nfs/dbraw/zinc/27/22/41/648272241.db2.gz LNWWGXUZBHUTSU-BHYGNILZSA-N 1 0 396.329 2.040 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)CCC[NH3+])nc12 ZINC000418029842 648272275 /nfs/dbraw/zinc/27/22/75/648272275.db2.gz ZWRAHIVKGGYPTM-GFCCVEGCSA-N 1 0 382.306 2.374 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CCO1 ZINC000418047213 648273167 /nfs/dbraw/zinc/27/31/67/648273167.db2.gz QBEMMASRKPRAKB-HUUCEWRRSA-N 1 0 386.265 2.408 20 0 GEADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)N1CCOC2(C[NH2+]C2)C1 ZINC000418060320 648274238 /nfs/dbraw/zinc/27/42/38/648274238.db2.gz BUXDVUXIPIRTPF-UHFFFAOYSA-N 1 0 383.279 2.401 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000418067396 648274636 /nfs/dbraw/zinc/27/46/36/648274636.db2.gz BLMYQQHPHFLBQC-OAHLLOKOSA-N 1 0 387.933 2.450 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418074765 648275425 /nfs/dbraw/zinc/27/54/25/648275425.db2.gz DCPCFFACAPLHAE-GXTWGEPZSA-N 1 0 385.295 2.492 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081721 648276009 /nfs/dbraw/zinc/27/60/09/648276009.db2.gz ORNZRRJTIXUOAD-GYSYKLTISA-N 1 0 385.295 2.477 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)[C@H](C)C[NH2+]1 ZINC000418079622 648276093 /nfs/dbraw/zinc/27/60/93/648276093.db2.gz LGDABNDAOQMDNH-JTNHKYCSSA-N 1 0 385.295 2.491 20 0 GEADRO OCCN1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000418083347 648276573 /nfs/dbraw/zinc/27/65/73/648276573.db2.gz ZPFFWWHRJSCQFU-AWEZNQCLSA-N 1 0 392.256 2.367 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418085345 648276806 /nfs/dbraw/zinc/27/68/06/648276806.db2.gz XSODGSPTBQINQF-RISCZKNCSA-N 1 0 385.295 2.350 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCCO1 ZINC000418084806 648276923 /nfs/dbraw/zinc/27/69/23/648276923.db2.gz WKCDUUNSACQSHJ-UONOGXRCSA-N 1 0 387.311 2.331 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418085343 648276929 /nfs/dbraw/zinc/27/69/29/648276929.db2.gz XSODGSPTBQINQF-BXUZGUMPSA-N 1 0 385.295 2.350 20 0 GEADRO CC1(C)CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000418088974 648277970 /nfs/dbraw/zinc/27/79/70/648277970.db2.gz AOTQEXNZRNFGGI-CQSZACIVSA-N 1 0 381.318 2.421 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418090506 648278316 /nfs/dbraw/zinc/27/83/16/648278316.db2.gz NUBMUXYJAJMSAZ-CQSZACIVSA-N 1 0 378.274 2.138 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(Cl)cc1I ZINC000418091274 648278352 /nfs/dbraw/zinc/27/83/52/648278352.db2.gz PKKFNRSLPCTXDZ-QMMMGPOBSA-N 1 0 381.645 2.339 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000418094500 648279254 /nfs/dbraw/zinc/27/92/54/648279254.db2.gz UTNVFEFLLVESMA-LLVKDONJSA-N 1 0 376.213 2.340 20 0 GEADRO O=C(NCCCCn1cc(Br)cn1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418099658 648279608 /nfs/dbraw/zinc/27/96/08/648279608.db2.gz CGTALUUTAKOAMX-OKILXGFUSA-N 1 0 384.322 2.067 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000418102137 648280064 /nfs/dbraw/zinc/28/00/64/648280064.db2.gz HDCMEGXCXJVENQ-UHFFFAOYSA-N 1 0 386.338 2.457 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000418114110 648281409 /nfs/dbraw/zinc/28/14/09/648281409.db2.gz KTRCGNCMHNEGFX-FZMZJTMJSA-N 1 0 387.265 2.355 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000418110562 648281468 /nfs/dbraw/zinc/28/14/68/648281468.db2.gz JOFKWDQPXJQVSG-STQMWFEESA-N 1 0 384.311 2.461 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCCCn3cc(Br)cn3)C[C@@H]21 ZINC000418110551 648281559 /nfs/dbraw/zinc/28/15/59/648281559.db2.gz WJWMKCGAQOLLQJ-VHDGCEQUSA-N 1 0 384.322 2.195 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000418118189 648282550 /nfs/dbraw/zinc/28/25/50/648282550.db2.gz SNQXECJYEYGORF-CHWSQXEVSA-N 1 0 384.311 2.461 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(I)cc1Cl ZINC000418121826 648282817 /nfs/dbraw/zinc/28/28/17/648282817.db2.gz IZMUOYDSRVGSDS-QMMMGPOBSA-N 1 0 381.645 2.481 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1I ZINC000418144492 648285002 /nfs/dbraw/zinc/28/50/02/648285002.db2.gz UFKSOLUWWBZNEH-UKRRQHHQSA-N 1 0 399.276 2.493 20 0 GEADRO Cc1cc(CNC(=O)N2CC[NH2+]C(C)(C)C2)ccc1I ZINC000418145904 648285059 /nfs/dbraw/zinc/28/50/59/648285059.db2.gz ZIEBHGRTFZCPLI-UHFFFAOYSA-N 1 0 387.265 2.493 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418166975 648286263 /nfs/dbraw/zinc/28/62/63/648286263.db2.gz UZLUJFFICGSJLU-QMMMGPOBSA-N 1 0 381.645 2.481 20 0 GEADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)N[C@@H](C)C[NH3+])C1=O ZINC000418180848 648286699 /nfs/dbraw/zinc/28/66/99/648286699.db2.gz HWDHZQHQBAFRBG-JSGCOSHPSA-N 1 0 397.317 2.208 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418185436 648287184 /nfs/dbraw/zinc/28/71/84/648287184.db2.gz AZGWAKBVGLLUQL-CQSZACIVSA-N 1 0 384.322 2.067 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418198405 648287252 /nfs/dbraw/zinc/28/72/52/648287252.db2.gz VDFPYFSHDFMFPB-MRXNPFEDSA-N 1 0 392.301 2.222 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1 ZINC000418229476 648288527 /nfs/dbraw/zinc/28/85/27/648288527.db2.gz HCRHWMZTDNCPKH-INIZCTEOSA-N 1 0 387.933 2.321 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418299077 648291549 /nfs/dbraw/zinc/29/15/49/648291549.db2.gz NHOMJZARJOYSAU-AWEZNQCLSA-N 1 0 383.334 2.447 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000418297144 648291585 /nfs/dbraw/zinc/29/15/85/648291585.db2.gz KJCOHJHWJVTKFP-QGZVFWFLSA-N 1 0 376.551 2.372 20 0 GEADRO C[C@H](NC(=O)NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000418328457 648293329 /nfs/dbraw/zinc/29/33/29/648293329.db2.gz ASAWMRQCVKWPER-NUEKZKHPSA-N 1 0 398.345 2.287 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1Br ZINC000418332433 648293402 /nfs/dbraw/zinc/29/34/02/648293402.db2.gz FQQWWMMWVPYXFE-GOEBONIOSA-N 1 0 398.345 2.207 20 0 GEADRO C[C@@H](NC(=O)N(CCO)Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]C1 ZINC000418342394 648293650 /nfs/dbraw/zinc/29/36/50/648293650.db2.gz MXVVJKZDCLKWIX-VXGBXAGGSA-N 1 0 390.347 2.403 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418351190 648294266 /nfs/dbraw/zinc/29/42/66/648294266.db2.gz ZHGAUQSWZIWXIQ-OAHLLOKOSA-N 1 0 395.345 2.276 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418359354 648294402 /nfs/dbraw/zinc/29/44/02/648294402.db2.gz FFBORVMMIQXVHQ-CJNGLKHVSA-N 1 0 381.318 2.199 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418375923 648295376 /nfs/dbraw/zinc/29/53/76/648295376.db2.gz FKOIVLFAOXEGDW-LLVKDONJSA-N 1 0 376.320 2.421 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000418378317 648295384 /nfs/dbraw/zinc/29/53/84/648295384.db2.gz GCVKBFYJRNZMFB-GFCCVEGCSA-N 1 0 389.327 2.497 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418392539 648296147 /nfs/dbraw/zinc/29/61/47/648296147.db2.gz ZOWZGDWPMRXOMA-HNNXBMFYSA-N 1 0 399.308 2.167 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000418403352 648296491 /nfs/dbraw/zinc/29/64/91/648296491.db2.gz OXSQKRKSHKQKQB-HNNXBMFYSA-N 1 0 385.295 2.198 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418400896 648296600 /nfs/dbraw/zinc/29/66/00/648296600.db2.gz HRHPZTCYSFRJQJ-AWEZNQCLSA-N 1 0 376.270 2.075 20 0 GEADRO CCC[NH2+]CCNC(=O)NC[C@H](CO)Cc1cccc(Br)c1C ZINC000418485868 648297765 /nfs/dbraw/zinc/29/77/65/648297765.db2.gz DWWKTOBEUPJWOP-CQSZACIVSA-N 1 0 386.334 2.207 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000418492420 648298272 /nfs/dbraw/zinc/29/82/72/648298272.db2.gz VEJIBOPWLXQCEO-CYBMUJFWSA-N 1 0 381.318 2.057 20 0 GEADRO COCC[NH2+]CCNC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000418504164 648298817 /nfs/dbraw/zinc/29/88/17/648298817.db2.gz ABUYNBSEURBDFV-CQSZACIVSA-N 1 0 386.290 2.150 20 0 GEADRO C[C@@]1(CNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CCC[NH2+]C1 ZINC000418542378 648300984 /nfs/dbraw/zinc/30/09/84/648300984.db2.gz OKPRBFVNLKIIKN-YVEFUNNKSA-N 1 0 390.311 2.422 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NCC1=CC[NH2+]CC1 ZINC000418545901 648301366 /nfs/dbraw/zinc/30/13/66/648301366.db2.gz WNHSKQFZOAHUJO-HNNXBMFYSA-N 1 0 396.329 2.127 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418562972 648301913 /nfs/dbraw/zinc/30/19/13/648301913.db2.gz RTJDBDRSZQCCAB-LBPRGKRZSA-N 1 0 387.297 2.153 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418586289 648303259 /nfs/dbraw/zinc/30/32/59/648303259.db2.gz FIJXSZJSUJGGIB-PWSUYJOCSA-N 1 0 376.320 2.013 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)CC[NH2+]1 ZINC000418593218 648303567 /nfs/dbraw/zinc/30/35/67/648303567.db2.gz DQHNSKQAPCGAHI-IPYPFGDCSA-N 1 0 384.318 2.040 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418590450 648303630 /nfs/dbraw/zinc/30/36/30/648303630.db2.gz JKHJIPJXMYLQQC-ZWNOBZJWSA-N 1 0 376.320 2.013 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418594207 648303964 /nfs/dbraw/zinc/30/39/64/648303964.db2.gz TZXVAJMDHZCURQ-LLVKDONJSA-N 1 0 376.270 2.090 20 0 GEADRO CN(Cc1ccc(Cl)cc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418605536 648304374 /nfs/dbraw/zinc/30/43/74/648304374.db2.gz AMEGCNBLKJEUSS-CQSZACIVSA-N 1 0 378.826 2.318 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@H]1c1cccs1 ZINC000418609352 648304838 /nfs/dbraw/zinc/30/48/38/648304838.db2.gz FKGJWTCNMSPYAT-OCCSQVGLSA-N 1 0 376.448 2.431 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418685717 648307200 /nfs/dbraw/zinc/30/72/00/648307200.db2.gz DRKYIKGJXQWHRK-NEPJUHHUSA-N 1 0 390.297 2.166 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418697649 648307607 /nfs/dbraw/zinc/30/76/07/648307607.db2.gz MBBOISQZADOPMO-GHMZBOCLSA-N 1 0 375.336 2.074 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418720316 648308389 /nfs/dbraw/zinc/30/83/89/648308389.db2.gz IVYSOFNZEPQUSI-AWEZNQCLSA-N 1 0 387.297 2.153 20 0 GEADRO O=C(NCCNc1cccc(Br)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418747345 648309259 /nfs/dbraw/zinc/30/92/59/648309259.db2.gz AHNWXWJBDLENAC-GFCCVEGCSA-N 1 0 377.233 2.157 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)N[C@H]1C[NH2+]CCC1(F)F ZINC000418748151 648309308 /nfs/dbraw/zinc/30/93/08/648309308.db2.gz KFILUQXHUIMUFR-SKDRFNHKSA-N 1 0 398.237 2.030 20 0 GEADRO O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418762542 648310095 /nfs/dbraw/zinc/31/00/95/648310095.db2.gz MANRGTLLPFRARO-ZBFHGGJFSA-N 1 0 377.897 2.475 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000418762365 648310100 /nfs/dbraw/zinc/31/01/00/648310100.db2.gz LXZWTCRBYDDYBM-KRWDZBQOSA-N 1 0 395.345 2.242 20 0 GEADRO O=C(NCCc1cccc(Cl)c1Cl)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418760626 648310163 /nfs/dbraw/zinc/31/01/63/648310163.db2.gz JKSNYOJUZIXJAQ-UHFFFAOYSA-N 1 0 384.307 2.254 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000418764215 648310504 /nfs/dbraw/zinc/31/05/04/648310504.db2.gz NQISKOHFOAHCIA-KRWDZBQOSA-N 1 0 395.345 2.274 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418768606 648310936 /nfs/dbraw/zinc/31/09/36/648310936.db2.gz PECPRNXQURVQNT-KGLIPLIRSA-N 1 0 382.302 2.284 20 0 GEADRO O=C(NCCc1ccc(Cl)s1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000418769654 648311306 /nfs/dbraw/zinc/31/13/06/648311306.db2.gz VPNFWDADOIIFSI-ZFWWWQNUSA-N 1 0 383.945 2.441 20 0 GEADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418768814 648311372 /nfs/dbraw/zinc/31/13/72/648311372.db2.gz SPSUEPYJQKHINY-MRXNPFEDSA-N 1 0 395.345 2.026 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418771423 648311381 /nfs/dbraw/zinc/31/13/81/648311381.db2.gz VTVLTFIGOWJFTH-GJZGRUSLSA-N 1 0 395.345 2.199 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000418776839 648312105 /nfs/dbraw/zinc/31/21/05/648312105.db2.gz XWTWOIWCUMGOEG-HUUCEWRRSA-N 1 0 386.265 2.423 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)C1 ZINC000418801592 648313479 /nfs/dbraw/zinc/31/34/79/648313479.db2.gz XOBBQZCSHPTLFY-RISCZKNCSA-N 1 0 388.281 2.220 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)C1CCCC1 ZINC000418829063 648315193 /nfs/dbraw/zinc/31/51/93/648315193.db2.gz NCYPSUCBJSSSKW-IMJJTQAJSA-N 1 0 394.313 2.055 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418832035 648315484 /nfs/dbraw/zinc/31/54/84/648315484.db2.gz HBBGBTOXBIUVLP-TVLCNXBWSA-N 1 0 376.259 2.424 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000418843367 648316632 /nfs/dbraw/zinc/31/66/32/648316632.db2.gz JUHHTUCMWIJFNI-QWHCGFSZSA-N 1 0 396.329 2.082 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418849357 648317481 /nfs/dbraw/zinc/31/74/81/648317481.db2.gz MQPAWIHHEODFHW-FZNYLWTLSA-N 1 0 376.259 2.424 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000418865980 648319537 /nfs/dbraw/zinc/31/95/37/648319537.db2.gz NBWKEBXSKPGLHT-OLZOCXBDSA-N 1 0 382.302 2.084 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000418867003 648319567 /nfs/dbraw/zinc/31/95/67/648319567.db2.gz OQZZMHDYMNQETE-BZPMIXESSA-N 1 0 382.302 2.070 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000418874517 648320271 /nfs/dbraw/zinc/32/02/71/648320271.db2.gz ZWZKOZRSBLSJJU-OUCADQQQSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418949147 648324403 /nfs/dbraw/zinc/32/44/03/648324403.db2.gz RDSWBMIRXSQUCJ-NHYWBVRUSA-N 1 0 382.302 2.118 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000418953351 648324792 /nfs/dbraw/zinc/32/47/92/648324792.db2.gz ZXAKFOQGOVJBBJ-BDJLRTHQSA-N 1 0 394.313 2.138 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000418953581 648325148 /nfs/dbraw/zinc/32/51/48/648325148.db2.gz WSQAWRGULTVPIY-JKSUJKDBSA-N 1 0 394.313 2.260 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000418953580 648325283 /nfs/dbraw/zinc/32/52/83/648325283.db2.gz WSQAWRGULTVPIY-HZPDHXFCSA-N 1 0 394.313 2.260 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000418960236 648325560 /nfs/dbraw/zinc/32/55/60/648325560.db2.gz CFACHRXCJDMVPV-JTQLQIEISA-N 1 0 380.901 2.285 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000418966102 648325989 /nfs/dbraw/zinc/32/59/89/648325989.db2.gz MVWFCMOAQSQJLA-GFCCVEGCSA-N 1 0 383.279 2.083 20 0 GEADRO Cc1sc([C@@H](C)NC(=O)C(=O)NCCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000418978029 648326458 /nfs/dbraw/zinc/32/64/58/648326458.db2.gz WRWIXWAFIMVCJU-SNVBAGLBSA-N 1 0 380.901 2.414 20 0 GEADRO COc1ccc([C@H](C)NC(=O)C(=O)NC2CCC([NH3+])CC2)cc1Br ZINC000419006953 648327148 /nfs/dbraw/zinc/32/71/48/648327148.db2.gz JFXXBHSAFCRHGZ-PKSQDBQZSA-N 1 0 398.301 2.021 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419028515 648328756 /nfs/dbraw/zinc/32/87/56/648328756.db2.gz WWQIFYQXFFEZHK-ZFWWWQNUSA-N 1 0 396.329 2.002 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419038253 648329127 /nfs/dbraw/zinc/32/91/27/648329127.db2.gz JKVYHJVSOOULNC-LBPRGKRZSA-N 1 0 396.702 2.241 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000419044883 648329529 /nfs/dbraw/zinc/32/95/29/648329529.db2.gz QWKKGAOEBBRJNX-NXEZZACHSA-N 1 0 380.436 2.363 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419046125 648329716 /nfs/dbraw/zinc/32/97/16/648329716.db2.gz XSIZXJKKLBIYIR-SFHVURJKSA-N 1 0 384.307 2.254 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419046124 648329836 /nfs/dbraw/zinc/32/98/36/648329836.db2.gz XSIZXJKKLBIYIR-GOSISDBHSA-N 1 0 384.307 2.254 20 0 GEADRO Cc1sc(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000419047907 648330180 /nfs/dbraw/zinc/33/01/80/648330180.db2.gz UKPNWEFSBCEOSO-SNVBAGLBSA-N 1 0 380.901 2.194 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419054646 648330714 /nfs/dbraw/zinc/33/07/14/648330714.db2.gz MINYMUZDGMTMNF-BLLLJJGKSA-N 1 0 396.329 2.130 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419054874 648330768 /nfs/dbraw/zinc/33/07/68/648330768.db2.gz MVSVRQYBEBKRSL-AWEZNQCLSA-N 1 0 396.329 2.097 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419057327 648331502 /nfs/dbraw/zinc/33/15/02/648331502.db2.gz UJSCAZGLVLSFKJ-BPLDGKMQSA-N 1 0 396.329 2.143 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000419077279 648332812 /nfs/dbraw/zinc/33/28/12/648332812.db2.gz XBOBEPZCIONHJI-OAHLLOKOSA-N 1 0 382.302 2.007 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419077919 648332848 /nfs/dbraw/zinc/33/28/48/648332848.db2.gz YGFWNFIGQYFHGK-UHFFFAOYSA-N 1 0 390.709 2.162 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419095067 648333709 /nfs/dbraw/zinc/33/37/09/648333709.db2.gz LNIZIRKWVIFTOB-JTQLQIEISA-N 1 0 378.325 2.148 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCSCc2ccc(Cl)cc2Cl)C1 ZINC000419097953 648333724 /nfs/dbraw/zinc/33/37/24/648333724.db2.gz QQLZWWRDQYYLLS-CYBMUJFWSA-N 1 0 390.336 2.293 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419098917 648334156 /nfs/dbraw/zinc/33/41/56/648334156.db2.gz RZXOALNDMGOJBZ-UHFFFAOYSA-N 1 0 378.325 2.196 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000419124353 648335056 /nfs/dbraw/zinc/33/50/56/648335056.db2.gz IAGHQMIYFALEHG-LRDDRELGSA-N 1 0 377.897 2.427 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000419124355 648335372 /nfs/dbraw/zinc/33/53/72/648335372.db2.gz IAGHQMIYFALEHG-MLGOLLRUSA-N 1 0 377.897 2.427 20 0 GEADRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000419128069 648335739 /nfs/dbraw/zinc/33/57/39/648335739.db2.gz UWPFMCYIHGZGSD-INIZCTEOSA-N 1 0 377.897 2.475 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 ZINC000419133321 648336342 /nfs/dbraw/zinc/33/63/42/648336342.db2.gz FRIXHIKNTPFNNV-CYBMUJFWSA-N 1 0 384.307 2.481 20 0 GEADRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419130332 648336364 /nfs/dbraw/zinc/33/63/64/648336364.db2.gz ZUVDGLRHTFQQON-HZPDHXFCSA-N 1 0 377.897 2.475 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419135389 648336705 /nfs/dbraw/zinc/33/67/05/648336705.db2.gz MKAYYSSGVZZLRI-ZDUSSCGKSA-N 1 0 388.295 2.089 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419144130 648337225 /nfs/dbraw/zinc/33/72/25/648337225.db2.gz ZSUAWHIPMFJNIT-NEPJUHHUSA-N 1 0 388.693 2.105 20 0 GEADRO C[C@H](NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000419155370 648337666 /nfs/dbraw/zinc/33/76/66/648337666.db2.gz SUJSPWNVNCUFAA-ZEIJEMSESA-N 1 0 380.286 2.026 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1)C1CC1 ZINC000419155563 648337854 /nfs/dbraw/zinc/33/78/54/648337854.db2.gz RTOIIDDHUKWSTF-HNNXBMFYSA-N 1 0 384.307 2.385 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cc(F)ccc1Br ZINC000419157696 648337983 /nfs/dbraw/zinc/33/79/83/648337983.db2.gz LILRQMNLKBVRSV-CQSZACIVSA-N 1 0 388.281 2.036 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419161327 648338486 /nfs/dbraw/zinc/33/84/86/648338486.db2.gz DCLNDGKOEWOOQV-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419171148 648339448 /nfs/dbraw/zinc/33/94/48/648339448.db2.gz XCUULKUKVOWPSO-OAHLLOKOSA-N 1 0 396.329 2.268 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Br ZINC000419184220 648340240 /nfs/dbraw/zinc/34/02/40/648340240.db2.gz JONCQEXDROSPPG-OLZOCXBDSA-N 1 0 396.329 2.229 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000419189192 648340653 /nfs/dbraw/zinc/34/06/53/648340653.db2.gz PFMXDBUFFRCFCH-STQMWFEESA-N 1 0 396.329 2.039 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000419278526 648343744 /nfs/dbraw/zinc/34/37/44/648343744.db2.gz HSQDACLGFLHXFX-CHWSQXEVSA-N 1 0 386.323 2.499 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCc2csc(Br)c2)CCCCCC1 ZINC000419278156 648343952 /nfs/dbraw/zinc/34/39/52/648343952.db2.gz HNCQXLNVFDAIHQ-UHFFFAOYSA-N 1 0 388.331 2.295 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419284483 648344350 /nfs/dbraw/zinc/34/43/50/648344350.db2.gz ONIBDQPGFKTJQE-XBFCOCLRSA-N 1 0 384.307 2.109 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419296698 648345332 /nfs/dbraw/zinc/34/53/32/648345332.db2.gz FDDYDHDITMWKAE-UONOGXRCSA-N 1 0 396.329 2.186 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419304310 648346619 /nfs/dbraw/zinc/34/66/19/648346619.db2.gz UQSBZWGAGUGABP-SFHVURJKSA-N 1 0 396.329 2.188 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000419348549 648349367 /nfs/dbraw/zinc/34/93/67/648349367.db2.gz XROCXHWJMMOGND-UONOGXRCSA-N 1 0 388.339 2.039 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000419357678 648349989 /nfs/dbraw/zinc/34/99/89/648349989.db2.gz JEJGDRLLNWSSBS-TXEJJXNPSA-N 1 0 384.307 2.065 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000419361311 648350039 /nfs/dbraw/zinc/35/00/39/648350039.db2.gz MQTXZMBNUTVNPB-CZUORRHYSA-N 1 0 396.329 2.002 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Cc1cccc(Br)c1 ZINC000419368564 648350503 /nfs/dbraw/zinc/35/05/03/648350503.db2.gz WUTUJSFPELSCPG-CZUORRHYSA-N 1 0 396.329 2.084 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000419367997 648350537 /nfs/dbraw/zinc/35/05/37/648350537.db2.gz VYUYSVNZFVTNJX-CZUORRHYSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(F)ccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000419416920 648351637 /nfs/dbraw/zinc/35/16/37/648351637.db2.gz AIRZGNNDOGTKGI-NEPJUHHUSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1csc(Br)c1 ZINC000419426594 648352196 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GEADRO Cc1cccc(CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1Br ZINC000419489817 648354648 /nfs/dbraw/zinc/35/46/48/648354648.db2.gz GOTUGJFFMMPHBI-UONOGXRCSA-N 1 0 384.318 2.354 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC000419512155 648354950 /nfs/dbraw/zinc/35/49/50/648354950.db2.gz ZGTGUQRZBPJABG-KGLIPLIRSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)cn1 ZINC000419514021 648355543 /nfs/dbraw/zinc/35/55/43/648355543.db2.gz BZUNYHMGBZWZOH-AVGNSLFASA-N 1 0 385.306 2.002 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H]1CCc2c1cccc2Br)[C@@H]1CC[NH2+]C1 ZINC000419584072 648356752 /nfs/dbraw/zinc/35/67/52/648356752.db2.gz IBQYMQFCKHDXCQ-WBMJQRKESA-N 1 0 394.313 2.153 20 0 GEADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419598001 648357955 /nfs/dbraw/zinc/35/79/55/648357955.db2.gz SCTMXFNYRFALBH-FKJOKYEKSA-N 1 0 384.307 2.440 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000419627735 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GEADRO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419709505 648368785 /nfs/dbraw/zinc/36/87/85/648368785.db2.gz OUYZZTRUNOFXKM-GFCCVEGCSA-N 1 0 392.363 2.307 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419719106 648370911 /nfs/dbraw/zinc/37/09/11/648370911.db2.gz WXJIPLBBLJGRDV-VHSXEESVSA-N 1 0 376.320 2.177 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419719863 648371232 /nfs/dbraw/zinc/37/12/32/648371232.db2.gz XOXDFWBPTARSPJ-MEBBXXQBSA-N 1 0 388.331 2.194 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000419732806 648372503 /nfs/dbraw/zinc/37/25/03/648372503.db2.gz SUSVTYANILBITE-ZWNOBZJWSA-N 1 0 386.279 2.001 20 0 GEADRO CCC(CC)(CCO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419734936 648372597 /nfs/dbraw/zinc/37/25/97/648372597.db2.gz VSYXFGJBGLLQIP-UHFFFAOYSA-N 1 0 379.320 2.127 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC1 ZINC000419762700 648375900 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386.265 2.024 20 0 GEADRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000419801169 648379488 /nfs/dbraw/zinc/37/94/88/648379488.db2.gz JMZXCRWHIXJSSD-BONVTDFDSA-N 1 0 391.331 2.390 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419805723 648380574 /nfs/dbraw/zinc/38/05/74/648380574.db2.gz DUIXTXGNTYIBNY-DVOMOZLQSA-N 1 0 396.329 2.225 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419805727 648380637 /nfs/dbraw/zinc/38/06/37/648380637.db2.gz DUIXTXGNTYIBNY-IOASZLSFSA-N 1 0 396.329 2.225 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419819036 648381922 /nfs/dbraw/zinc/38/19/22/648381922.db2.gz MXDUKEYVXVWZEP-QWHCGFSZSA-N 1 0 396.329 2.052 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000419822850 648382239 /nfs/dbraw/zinc/38/22/39/648382239.db2.gz OCWCEXBUHPSGJD-CJNGLKHVSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[NH2+]1 ZINC000419822372 648382316 /nfs/dbraw/zinc/38/23/16/648382316.db2.gz PLVCPXWMBOKDRY-WFASDCNBSA-N 1 0 396.329 2.100 20 0 GEADRO CO[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)CC(C)C ZINC000419827110 648382547 /nfs/dbraw/zinc/38/25/47/648382547.db2.gz AYPFRFBJWYGCBG-GFCCVEGCSA-N 1 0 379.320 2.247 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419825429 648382696 /nfs/dbraw/zinc/38/26/96/648382696.db2.gz RCROSHIALZQXOD-OLZOCXBDSA-N 1 0 396.329 2.039 20 0 GEADRO CC1(c2cccc(Br)c2)CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC000419827948 648383170 /nfs/dbraw/zinc/38/31/70/648383170.db2.gz GBZSBZNOGATUKD-UHFFFAOYSA-N 1 0 396.329 2.184 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419836640 648384127 /nfs/dbraw/zinc/38/41/27/648384127.db2.gz ZMRRYAKRANBRDE-XPKDYRNWSA-N 1 0 396.329 2.130 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000419835773 648384173 /nfs/dbraw/zinc/38/41/73/648384173.db2.gz ATJOLKQBSMXWTL-CQSZACIVSA-N 1 0 381.929 2.291 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419841832 648384403 /nfs/dbraw/zinc/38/44/03/648384403.db2.gz KWJPSNYBIRAJLY-CQSZACIVSA-N 1 0 394.313 2.023 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419853872 648385917 /nfs/dbraw/zinc/38/59/17/648385917.db2.gz UCPDRUQBJZSUNX-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419901646 648387275 /nfs/dbraw/zinc/38/72/75/648387275.db2.gz UBLNFZNLUOCNHE-KBPBESRZSA-N 1 0 396.329 2.220 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419907747 648387655 /nfs/dbraw/zinc/38/76/55/648387655.db2.gz GTFYYAXEWQUQTL-CYBMUJFWSA-N 1 0 388.295 2.089 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000419906926 648387690 /nfs/dbraw/zinc/38/76/90/648387690.db2.gz DNDYQQLURWKTAH-NSHDSACASA-N 1 0 388.331 2.290 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419908777 648387738 /nfs/dbraw/zinc/38/77/38/648387738.db2.gz FJTMWQUGMDEZKT-CYBMUJFWSA-N 1 0 394.313 2.056 20 0 GEADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCCC[NH2+]C1CCCCC1 ZINC000419907123 648387843 /nfs/dbraw/zinc/38/78/43/648387843.db2.gz DVKFIWLCVFNOCX-UHFFFAOYSA-N 1 0 393.962 2.108 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000419912252 648388165 /nfs/dbraw/zinc/38/81/65/648388165.db2.gz VXFCUSOJMUXMJT-UHFFFAOYSA-N 1 0 390.709 2.177 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419913473 648388247 /nfs/dbraw/zinc/38/82/47/648388247.db2.gz MYLKQMMXHCXULL-AWEZNQCLSA-N 1 0 396.329 2.302 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419913503 648388251 /nfs/dbraw/zinc/38/82/51/648388251.db2.gz ZKVAGLVYCLMTKW-UHFFFAOYSA-N 1 0 396.329 2.271 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000419927679 648389063 /nfs/dbraw/zinc/38/90/63/648389063.db2.gz KBGRYKVOBDAUBB-UHFFFAOYSA-N 1 0 390.709 2.177 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419931469 648389561 /nfs/dbraw/zinc/38/95/61/648389561.db2.gz CXUKKLCWGKTKKT-CHWSQXEVSA-N 1 0 382.302 2.227 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419931646 648389576 /nfs/dbraw/zinc/38/95/76/648389576.db2.gz DLHWTJQIQVUWPY-CVEARBPZSA-N 1 0 394.313 2.371 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419934908 648389933 /nfs/dbraw/zinc/38/99/33/648389933.db2.gz IDKICTGQTJCDNU-OAHLLOKOSA-N 1 0 382.302 2.056 20 0 GEADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419934774 648389962 /nfs/dbraw/zinc/38/99/62/648389962.db2.gz HSEYTWXCSGCWSR-CHWSQXEVSA-N 1 0 394.313 2.153 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000419945640 648390797 /nfs/dbraw/zinc/39/07/97/648390797.db2.gz KJQQPLJNRCCSBM-LRDDRELGSA-N 1 0 377.535 2.255 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419969440 648391983 /nfs/dbraw/zinc/39/19/83/648391983.db2.gz CANSJRYUMUBZSS-AWEZNQCLSA-N 1 0 388.281 2.036 20 0 GEADRO COc1ccc(Br)cc1C1(C(=O)NC[C@@](C)(O)CC[NH+](C)C)CC1 ZINC000419973517 648392022 /nfs/dbraw/zinc/39/20/22/648392022.db2.gz JCONKHDHVKWDBV-KRWDZBQOSA-N 1 0 399.329 2.308 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419975350 648392306 /nfs/dbraw/zinc/39/23/06/648392306.db2.gz AJZVYCFJNBRGHM-XJKSGUPXSA-N 1 0 394.313 2.184 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419983676 648392762 /nfs/dbraw/zinc/39/27/62/648392762.db2.gz CNUQDDNXXCCUES-ZDUSSCGKSA-N 1 0 384.318 2.287 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419989260 648393292 /nfs/dbraw/zinc/39/32/92/648393292.db2.gz ARBLSBABQRTVIX-ZIAGYGMSSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419988246 648393316 /nfs/dbraw/zinc/39/33/16/648393316.db2.gz HQTDAFONXAKKHI-WCQYABFASA-N 1 0 388.295 2.217 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419989072 648393345 /nfs/dbraw/zinc/39/33/45/648393345.db2.gz YQLDQSZDLLCCSI-HNNXBMFYSA-N 1 0 382.302 2.040 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000419986935 648393355 /nfs/dbraw/zinc/39/33/55/648393355.db2.gz WTVDVLDWCZJCTK-XJKSGUPXSA-N 1 0 377.535 2.383 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1nc2ccccc2cc1Br ZINC000419998291 648394201 /nfs/dbraw/zinc/39/42/01/648394201.db2.gz MQRANFUOYVRNKB-QGZVFWFLSA-N 1 0 380.286 2.430 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419998958 648394550 /nfs/dbraw/zinc/39/45/50/648394550.db2.gz NZFLQFNDJOSQDR-HUUCEWRRSA-N 1 0 382.302 2.212 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000420003411 648395011 /nfs/dbraw/zinc/39/50/11/648395011.db2.gz SXGNYLUEHGOADZ-CQSZACIVSA-N 1 0 396.329 2.304 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420008022 648395134 /nfs/dbraw/zinc/39/51/34/648395134.db2.gz DAYIUEIIEGZTHR-QGZVFWFLSA-N 1 0 387.318 2.209 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N[C@H](C)CC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420010716 648395510 /nfs/dbraw/zinc/39/55/10/648395510.db2.gz XSXHAVWCHQGHBA-NEPJUHHUSA-N 1 0 390.311 2.463 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CSCc1cc(-c2cccs2)on1 ZINC000420043238 648397969 /nfs/dbraw/zinc/39/79/69/648397969.db2.gz ONOOLWLWOWRZQY-KRWDZBQOSA-N 1 0 383.539 2.455 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000420053481 648398388 /nfs/dbraw/zinc/39/83/88/648398388.db2.gz DTIWGOMRDZWZDC-MRXNPFEDSA-N 1 0 382.291 2.463 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420058887 648398912 /nfs/dbraw/zinc/39/89/12/648398912.db2.gz KBSGCYGYHWUFIV-BBRMVZONSA-N 1 0 396.329 2.431 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420066544 648399186 /nfs/dbraw/zinc/39/91/86/648399186.db2.gz ZINWPWDNYBHKAG-UHFFFAOYSA-N 1 0 384.318 2.287 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420069889 648399285 /nfs/dbraw/zinc/39/92/85/648399285.db2.gz WDBDRGUAHCNDLI-HNNXBMFYSA-N 1 0 382.302 2.040 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000420109411 648401997 /nfs/dbraw/zinc/40/19/97/648401997.db2.gz DPYWDTNNBHYEJU-UHOFOFEASA-N 1 0 381.929 2.071 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000420112288 648402470 /nfs/dbraw/zinc/40/24/70/648402470.db2.gz HIWWHYUQJNJKLV-DAXOMENPSA-N 1 0 394.313 2.227 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000420117821 648402814 /nfs/dbraw/zinc/40/28/14/648402814.db2.gz HSKVCCKTIUEPCY-LBPRGKRZSA-N 1 0 388.281 2.180 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000420120899 648403204 /nfs/dbraw/zinc/40/32/04/648403204.db2.gz KFGREFCVFZUAHO-WQVCFCJDSA-N 1 0 394.313 2.369 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420135414 648404254 /nfs/dbraw/zinc/40/42/54/648404254.db2.gz VGTFBKVKKVGZMP-JSGCOSHPSA-N 1 0 382.302 2.054 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420142449 648405454 /nfs/dbraw/zinc/40/54/54/648405454.db2.gz ZFXXVQMALFXMMJ-ZDUSSCGKSA-N 1 0 394.313 2.110 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420168376 648407179 /nfs/dbraw/zinc/40/71/79/648407179.db2.gz SSTXKDDGZHUNDZ-UHFFFAOYSA-N 1 0 394.313 2.142 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000420164109 648407205 /nfs/dbraw/zinc/40/72/05/648407205.db2.gz FMNGVPZWUGMNAF-CYBMUJFWSA-N 1 0 384.318 2.300 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000420162596 648407246 /nfs/dbraw/zinc/40/72/46/648407246.db2.gz KPWVOKMMQREHDL-IUODEOHRSA-N 1 0 382.302 2.054 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420194492 648408877 /nfs/dbraw/zinc/40/88/77/648408877.db2.gz JNVJSELFLOMEJS-ZBFHGGJFSA-N 1 0 396.329 2.430 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000420240641 648410795 /nfs/dbraw/zinc/41/07/95/648410795.db2.gz KJFJLLQJIDZFNC-GFCCVEGCSA-N 1 0 394.310 2.426 20 0 GEADRO C[C@@]1(F)C[NH2+]CCN(c2ncnc3ccc(I)cc32)C1 ZINC000420275053 648413035 /nfs/dbraw/zinc/41/30/35/648413035.db2.gz YZIDKJSLFNKOKN-CQSZACIVSA-N 1 0 386.212 2.372 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420348145 648413522 /nfs/dbraw/zinc/41/35/22/648413522.db2.gz JUHMYVHECNMWFT-TUKIKUTGSA-N 1 0 399.276 2.445 20 0 GEADRO Brc1cc2c(cc1CN1CC[C@@H](N3CC[NH2+]CC3)C1)OCCCO2 ZINC000420347940 648413593 /nfs/dbraw/zinc/41/35/93/648413593.db2.gz ISPPVUSKKLUOJR-OAHLLOKOSA-N 1 0 396.329 2.090 20 0 GEADRO CN(Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C[C@H](O)C[NH3+] ZINC000420361019 648414112 /nfs/dbraw/zinc/41/41/12/648414112.db2.gz XMWMLJYQPXNJSU-SNVBAGLBSA-N 1 0 378.885 2.469 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(CCOc3ccccc3Br)C2)nn1 ZINC000420387781 648415173 /nfs/dbraw/zinc/41/51/73/648415173.db2.gz WKBCGCUJVWNTOD-CQSZACIVSA-N 1 0 380.290 2.215 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)ccc2s1 ZINC000420448953 648416943 /nfs/dbraw/zinc/41/69/43/648416943.db2.gz MPYICYVUXWGKLF-RISCZKNCSA-N 1 0 380.491 2.060 20 0 GEADRO O=S(=O)(c1ccc(Br)c(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420445821 648416998 /nfs/dbraw/zinc/41/69/98/648416998.db2.gz GAJCZSNWAVZZBK-PELKAZGASA-N 1 0 399.232 2.450 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000420473596 648420384 /nfs/dbraw/zinc/42/03/84/648420384.db2.gz DREDBAPITXTJQR-RYUDHWBXSA-N 1 0 391.331 2.453 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)C[C@H]1c1cccc(F)c1 ZINC000420474865 648420820 /nfs/dbraw/zinc/42/08/20/648420820.db2.gz ZEBOTWNCSFIRNN-NWDGAFQWSA-N 1 0 389.246 2.297 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420678283 648433890 /nfs/dbraw/zinc/43/38/90/648433890.db2.gz UKRRYZVAHJOJML-LBPRGKRZSA-N 1 0 384.420 2.062 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCc1ccccc1Br ZINC000420737810 648445713 /nfs/dbraw/zinc/44/57/13/648445713.db2.gz MXGHVEWIAYQRNS-CQSZACIVSA-N 1 0 375.332 2.347 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420740358 648446686 /nfs/dbraw/zinc/44/66/86/648446686.db2.gz RFPMVDJJNJSQQF-OAHLLOKOSA-N 1 0 390.933 2.470 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000420795395 648456846 /nfs/dbraw/zinc/45/68/46/648456846.db2.gz MIEWLBBQJBHSJM-UHFFFAOYSA-N 1 0 396.329 2.097 20 0 GEADRO CNC(=O)[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000420976460 648460697 /nfs/dbraw/zinc/46/06/97/648460697.db2.gz PEEXQFXFEJIHJC-BBRMVZONSA-N 1 0 394.313 2.321 20 0 GEADRO CC(=O)N[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000420979535 648461298 /nfs/dbraw/zinc/46/12/98/648461298.db2.gz DIAWHFXTTHHBRS-AWEZNQCLSA-N 1 0 388.249 2.271 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421207322 648471014 /nfs/dbraw/zinc/47/10/14/648471014.db2.gz WAGYQZHUZHEDOT-UHFFFAOYSA-N 1 0 394.313 2.281 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421207140 648471222 /nfs/dbraw/zinc/47/12/22/648471222.db2.gz JPDWFKLQWBDSRP-CYBMUJFWSA-N 1 0 394.313 2.138 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000421302282 648486750 /nfs/dbraw/zinc/48/67/50/648486750.db2.gz QQKGCFBJFVTNBJ-JTQLQIEISA-N 1 0 390.228 2.218 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000421303977 648487157 /nfs/dbraw/zinc/48/71/57/648487157.db2.gz SUPMFLRLGLLWDE-NSHDSACASA-N 1 0 375.803 2.433 20 0 GEADRO CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@@H](O)CO ZINC000421400939 648490324 /nfs/dbraw/zinc/49/03/24/648490324.db2.gz CDLLIVUVOWAIND-LLVKDONJSA-N 1 0 396.123 2.357 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421412914 648491046 /nfs/dbraw/zinc/49/10/46/648491046.db2.gz UPWPFRKMKDQGRL-BBRMVZONSA-N 1 0 398.345 2.488 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000422085200 648520478 /nfs/dbraw/zinc/52/04/78/648520478.db2.gz LTNCECDBBDVMOG-CQSZACIVSA-N 1 0 396.329 2.222 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422298191 648534800 /nfs/dbraw/zinc/53/48/00/648534800.db2.gz RJNNKDDGFZRXLD-ZDUSSCGKSA-N 1 0 384.318 2.220 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000422511434 648554197 /nfs/dbraw/zinc/55/41/97/648554197.db2.gz CPUHLGGUBCUZGF-OAHLLOKOSA-N 1 0 396.329 2.315 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422553131 648558659 /nfs/dbraw/zinc/55/86/59/648558659.db2.gz JHRMZLDSOSHELN-UHFFFAOYSA-N 1 0 377.279 2.413 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422554166 648558835 /nfs/dbraw/zinc/55/88/35/648558835.db2.gz LTJSJPHHCYJNGS-UTUOFQBUSA-N 1 0 391.331 2.452 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000422556728 648559213 /nfs/dbraw/zinc/55/92/13/648559213.db2.gz UKVREFBNEIJWBY-WOPDTQHZSA-N 1 0 376.906 2.351 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cnccc2N)s1 ZINC000422721575 648574142 /nfs/dbraw/zinc/57/41/42/648574142.db2.gz VPXLRHURFINPCF-CYBMUJFWSA-N 1 0 382.555 2.479 20 0 GEADRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422768571 648575335 /nfs/dbraw/zinc/57/53/35/648575335.db2.gz UTHBUMGYYQYPAY-KDOFPFPSSA-N 1 0 381.929 2.166 20 0 GEADRO O[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)COc1cccc(Cl)c1Cl ZINC000422903714 648576157 /nfs/dbraw/zinc/57/61/57/648576157.db2.gz OXINYEISNFNOCD-VMGRFDJRSA-N 1 0 375.296 2.090 20 0 GEADRO FC(F)(F)c1cnc(OCC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)c(Cl)c1 ZINC000422925897 648577091 /nfs/dbraw/zinc/57/70/91/648577091.db2.gz VUHSHBNYAYOKCU-KGLIPLIRSA-N 1 0 379.810 2.489 20 0 GEADRO [NH3+]CCCn1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)nn1 ZINC000422923117 648577108 /nfs/dbraw/zinc/57/71/08/648577108.db2.gz RESQAZRJDAWHQN-UHFFFAOYSA-N 1 0 375.483 2.023 20 0 GEADRO CCOC(=O)CSc1nnc(NC(=O)c2ccccc2CC[NH2+]C)s1 ZINC000422926022 648577656 /nfs/dbraw/zinc/57/76/56/648577656.db2.gz VWTWPGLAXVTIMP-UHFFFAOYSA-N 1 0 380.495 2.208 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000422933515 648577685 /nfs/dbraw/zinc/57/76/85/648577685.db2.gz HXBXCDSHBDALOW-LDYMZIIASA-N 1 0 375.782 2.406 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422929926 648577756 /nfs/dbraw/zinc/57/77/56/648577756.db2.gz AKPWCDIXTHBFAK-KBRIMQKVSA-N 1 0 396.329 2.159 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])s1 ZINC000422961323 648578850 /nfs/dbraw/zinc/57/88/50/648578850.db2.gz YWMIWORLEMEEFK-DOMZBBRYSA-N 1 0 375.560 2.014 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422967115 648579485 /nfs/dbraw/zinc/57/94/85/648579485.db2.gz SKPYHILRUGABDA-INIZCTEOSA-N 1 0 396.329 2.098 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423106362 648580324 /nfs/dbraw/zinc/58/03/24/648580324.db2.gz RKIJMUYYMNYSDI-ZFWWWQNUSA-N 1 0 396.329 2.241 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000423110652 648581521 /nfs/dbraw/zinc/58/15/21/648581521.db2.gz PNIDVSTWDFZAOF-HNNXBMFYSA-N 1 0 382.302 2.181 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000423113608 648582169 /nfs/dbraw/zinc/58/21/69/648582169.db2.gz UQHMGOKRUZRPAK-MRXNPFEDSA-N 1 0 394.313 2.323 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423121781 648582962 /nfs/dbraw/zinc/58/29/62/648582962.db2.gz IWWGEBPHVCDIMC-UONOGXRCSA-N 1 0 396.329 2.383 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000423122863 648583004 /nfs/dbraw/zinc/58/30/04/648583004.db2.gz LIBADBLNGDVDLJ-AWEZNQCLSA-N 1 0 382.302 2.073 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423127284 648583359 /nfs/dbraw/zinc/58/33/59/648583359.db2.gz PEGSRGVRMBLOCK-CQSZACIVSA-N 1 0 382.302 2.008 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCc2ccc(I)s2)C1 ZINC000423130910 648583881 /nfs/dbraw/zinc/58/38/81/648583881.db2.gz HBDJDNMKXMGGJS-KOLCDFICSA-N 1 0 378.279 2.400 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423163994 648585496 /nfs/dbraw/zinc/58/54/96/648585496.db2.gz RZMPBJZCTNAOBL-KYNGSXCRSA-N 1 0 397.357 2.265 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000423163923 648585740 /nfs/dbraw/zinc/58/57/40/648585740.db2.gz RUTFGXWFDPFTTE-JLJPHGGASA-N 1 0 385.346 2.265 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC(=O)N(C)Cc2ccccc2Br)C1 ZINC000423176477 648587095 /nfs/dbraw/zinc/58/70/95/648587095.db2.gz GATHHHUKFHKREC-CZUORRHYSA-N 1 0 396.329 2.302 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423174885 648587147 /nfs/dbraw/zinc/58/71/47/648587147.db2.gz CWYHFFFPRRBKKM-UHFFFAOYSA-N 1 0 382.302 2.043 20 0 GEADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423196293 648587258 /nfs/dbraw/zinc/58/72/58/648587258.db2.gz ZHIFBSCDTBCRPM-KBPBESRZSA-N 1 0 384.307 2.410 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000423362234 648590102 /nfs/dbraw/zinc/59/01/02/648590102.db2.gz MZHABAZXUJCDAD-MAUKXSAKSA-N 1 0 381.929 2.154 20 0 GEADRO COC[C@@]1(CN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCC[NH2+]1 ZINC000423419940 648590663 /nfs/dbraw/zinc/59/06/63/648590663.db2.gz WSAMLTDAXUZQIA-BMIGLBTASA-N 1 0 396.340 2.060 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2C)CC1 ZINC000423468941 648591481 /nfs/dbraw/zinc/59/14/81/648591481.db2.gz ZRTRHDRBEDYAOU-UHFFFAOYSA-N 1 0 396.329 2.174 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CC1 ZINC000423471679 648591619 /nfs/dbraw/zinc/59/16/19/648591619.db2.gz HPLGLKZSRVFURS-UHFFFAOYSA-N 1 0 381.929 2.373 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423462482 648591693 /nfs/dbraw/zinc/59/16/93/648591693.db2.gz VDXVAOYNPQKEEJ-FZKQIMNGSA-N 1 0 396.329 2.159 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)CC[C@H]1[NH3+] ZINC000423478555 648592141 /nfs/dbraw/zinc/59/21/41/648592141.db2.gz NIJUMDOWQDYILJ-XHBSWPGZSA-N 1 0 394.313 2.091 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)C1 ZINC000423483061 648592507 /nfs/dbraw/zinc/59/25/07/648592507.db2.gz PTNJDZPBFYZVPP-GFCCVEGCSA-N 1 0 384.307 2.336 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000423501147 648592961 /nfs/dbraw/zinc/59/29/61/648592961.db2.gz AYVVMXWIPNXQQW-CABCVRRESA-N 1 0 398.276 2.072 20 0 GEADRO Ic1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CNCCO1)CCCO2 ZINC000423513559 648593566 /nfs/dbraw/zinc/59/35/66/648593566.db2.gz CINASMLGYMSMTE-OCCSQVGLSA-N 1 0 388.249 2.083 20 0 GEADRO Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CNCCO1)CCCO2 ZINC000423513557 648593575 /nfs/dbraw/zinc/59/35/75/648593575.db2.gz CINASMLGYMSMTE-GXTWGEPZSA-N 1 0 388.249 2.083 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000423515846 648594085 /nfs/dbraw/zinc/59/40/85/648594085.db2.gz VWNJLHUJXBOKOD-AWEZNQCLSA-N 1 0 394.313 2.105 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000423520819 648594170 /nfs/dbraw/zinc/59/41/70/648594170.db2.gz QIMIPVRUCCTZFW-INIZCTEOSA-N 1 0 396.329 2.166 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000423569082 648595994 /nfs/dbraw/zinc/59/59/94/648595994.db2.gz MALFFWYOHJOTMX-CQSZACIVSA-N 1 0 382.291 2.429 20 0 GEADRO O=C(C(=O)N1CC[NH2+]CC1)N(Cc1ccccc1Br)C1CCCC1 ZINC000423568072 648596006 /nfs/dbraw/zinc/59/60/06/648596006.db2.gz RHCJNTWEYLHMPW-UHFFFAOYSA-N 1 0 394.313 2.152 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423588981 648596699 /nfs/dbraw/zinc/59/66/99/648596699.db2.gz DKZGNSREYIHDBO-UKRRQHHQSA-N 1 0 396.329 2.241 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423595326 648597030 /nfs/dbraw/zinc/59/70/30/648597030.db2.gz LDOZAAKDMHJLTO-FZKQIMNGSA-N 1 0 396.329 2.241 20 0 GEADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000423649494 648598075 /nfs/dbraw/zinc/59/80/75/648598075.db2.gz PLASBDBQNJZGQI-INIZCTEOSA-N 1 0 394.313 2.105 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000423658706 648598421 /nfs/dbraw/zinc/59/84/21/648598421.db2.gz GPKPMTWZXBRWKC-NSHDSACASA-N 1 0 388.331 2.070 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423668696 648599024 /nfs/dbraw/zinc/59/90/24/648599024.db2.gz WKAZSRWXKMWRQW-XJKSGUPXSA-N 1 0 381.929 2.101 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000423677012 648599304 /nfs/dbraw/zinc/59/93/04/648599304.db2.gz JNAUJLYCSSOAOG-WFASDCNBSA-N 1 0 382.302 2.136 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000423686021 648599460 /nfs/dbraw/zinc/59/94/60/648599460.db2.gz SRCUAXMAIXQRMS-MFKMUULPSA-N 1 0 388.331 2.197 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000423743786 648601412 /nfs/dbraw/zinc/60/14/12/648601412.db2.gz MEHLIMIPRWACCO-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000423746887 648601429 /nfs/dbraw/zinc/60/14/29/648601429.db2.gz PWSXREHLKOEXSU-WDEREUQCSA-N 1 0 389.315 2.018 20 0 GEADRO COc1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc(Br)c1OC ZINC000423747305 648601873 /nfs/dbraw/zinc/60/18/73/648601873.db2.gz QKDACUYDZFVXNN-SNVBAGLBSA-N 1 0 385.180 2.476 20 0 GEADRO C[C@@H](CN(C)C(=O)c1cn(CCC[NH3+])nn1)Oc1ccc(Cl)c(Cl)c1 ZINC000423805828 648601902 /nfs/dbraw/zinc/60/19/02/648601902.db2.gz DKVHCKFIXBIVEO-NSHDSACASA-N 1 0 386.283 2.473 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)CC3(C[NH3+])CC3)C2=O)ccc1Br ZINC000423844435 648602550 /nfs/dbraw/zinc/60/25/50/648602550.db2.gz NFFIFMBJJSWSOE-CQSZACIVSA-N 1 0 380.286 2.108 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)C2=O)ccc1Br ZINC000423843908 648602562 /nfs/dbraw/zinc/60/25/62/648602562.db2.gz MYZFUKHLEBRZQN-RLCCDNCMSA-N 1 0 394.313 2.367 20 0 GEADRO CC(C)[C@@H](C(=O)NCCOc1ccc(I)cc1)[C@H](C)[NH3+] ZINC000423846564 648602589 /nfs/dbraw/zinc/60/25/89/648602589.db2.gz LNXJAHYOQXXVLX-SMDDNHRTSA-N 1 0 390.265 2.406 20 0 GEADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CCCC1 ZINC000423938620 648603607 /nfs/dbraw/zinc/60/36/07/648603607.db2.gz JQFXUSLVMBJEQB-JKSUJKDBSA-N 1 0 394.313 2.436 20 0 GEADRO [NH3+]C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)C1CCCC1 ZINC000423946046 648604111 /nfs/dbraw/zinc/60/41/11/648604111.db2.gz UMPUCDCOTPFSAM-AWEZNQCLSA-N 1 0 385.555 2.170 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000423951147 648604735 /nfs/dbraw/zinc/60/47/35/648604735.db2.gz JGJSINFIYOFXPR-FZMZJTMJSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000423965762 648605708 /nfs/dbraw/zinc/60/57/08/648605708.db2.gz YSPDAVHNBOKTLS-AWEZNQCLSA-N 1 0 398.301 2.054 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)COc1cccc(I)c1 ZINC000423976082 648606849 /nfs/dbraw/zinc/60/68/49/648606849.db2.gz FROZGPVQJFBXEG-LBPRGKRZSA-N 1 0 376.238 2.160 20 0 GEADRO C[C@@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C[C@@]1(C)C[NH3+] ZINC000423988494 648607498 /nfs/dbraw/zinc/60/74/98/648607498.db2.gz XVXLXSYIOAMXKO-MEBBXXQBSA-N 1 0 388.331 2.026 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000423995365 648607885 /nfs/dbraw/zinc/60/78/85/648607885.db2.gz DPYOZBVKEMHYAA-NVXWUHKLSA-N 1 0 395.297 2.377 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000424003657 648609096 /nfs/dbraw/zinc/60/90/96/648609096.db2.gz DTHVCYSKZVYMOD-DGCLKSJQSA-N 1 0 392.301 2.395 20 0 GEADRO Cc1c(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000424003660 648609148 /nfs/dbraw/zinc/60/91/48/648609148.db2.gz DTHVCYSKZVYMOD-WCQYABFASA-N 1 0 392.301 2.395 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424013683 648609788 /nfs/dbraw/zinc/60/97/88/648609788.db2.gz KYICNHXIINJXQV-DYEKYZERSA-N 1 0 382.302 2.011 20 0 GEADRO CN(CC[NH3+])C(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000424014150 648610112 /nfs/dbraw/zinc/61/01/12/648610112.db2.gz YZFZUKOBVDPBBK-AWEZNQCLSA-N 1 0 386.265 2.000 20 0 GEADRO COc1ccc(Br)c(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000424102239 648613820 /nfs/dbraw/zinc/61/38/20/648613820.db2.gz ARFWBUDPRAEVTM-JTQLQIEISA-N 1 0 380.246 2.226 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000424206741 648617939 /nfs/dbraw/zinc/61/79/39/648617939.db2.gz ONKLBLFLTWBJCT-HNNXBMFYSA-N 1 0 391.269 2.180 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCCS(C)(=O)=O ZINC000424308955 648622835 /nfs/dbraw/zinc/62/28/35/648622835.db2.gz PPNHDPYZYCCXQI-LBPRGKRZSA-N 1 0 376.906 2.480 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000424454243 648628884 /nfs/dbraw/zinc/62/88/84/648628884.db2.gz OCYJRBKDPXTKJO-CHWSQXEVSA-N 1 0 384.274 2.289 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(I)s1 ZINC000424452903 648629045 /nfs/dbraw/zinc/62/90/45/648629045.db2.gz IUFFZLSSRLNKGP-GHMZBOCLSA-N 1 0 393.294 2.464 20 0 GEADRO Cc1nc(CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)sc1Br ZINC000424448742 648629050 /nfs/dbraw/zinc/62/90/50/648629050.db2.gz QBDMIPSETJWCOI-UHFFFAOYSA-N 1 0 397.298 2.236 20 0 GEADRO [NH3+]CCCCNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424471138 648630029 /nfs/dbraw/zinc/63/00/29/648630029.db2.gz CLUKXFSBDSMPRM-UHFFFAOYSA-N 1 0 381.645 2.483 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000424821198 648650255 /nfs/dbraw/zinc/65/02/55/648650255.db2.gz DNINUHXCGJXIII-UHFFFAOYSA-N 1 0 386.334 2.379 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3cc4c(cc3Br)OCCO4)[C@@H]2C1 ZINC000425052544 648662893 /nfs/dbraw/zinc/66/28/93/648662893.db2.gz VXMODMMPKOXRTQ-SWLSCSKDSA-N 1 0 395.297 2.315 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC(F)F)CC1=O ZINC000425052512 648662911 /nfs/dbraw/zinc/66/29/11/648662911.db2.gz 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ZINC000427057245 648721934 /nfs/dbraw/zinc/72/19/34/648721934.db2.gz OOMRKCRJXNMRHB-HUUCEWRRSA-N 1 0 385.961 2.011 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000428475555 648734800 /nfs/dbraw/zinc/73/48/00/648734800.db2.gz APCSAIYIZOFUKC-AWEZNQCLSA-N 1 0 387.933 2.275 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000428475556 648734886 /nfs/dbraw/zinc/73/48/86/648734886.db2.gz APCSAIYIZOFUKC-CQSZACIVSA-N 1 0 387.933 2.275 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cnc2cnccn12)Cc1ccc(Br)cc1 ZINC000428551500 648736491 /nfs/dbraw/zinc/73/64/91/648736491.db2.gz KWMOXQMEIXKVKL-CQSZACIVSA-N 1 0 375.270 2.433 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428563112 648737105 /nfs/dbraw/zinc/73/71/05/648737105.db2.gz VKDOFZXMQZGFPP-HIFRSBDPSA-N 1 0 386.334 2.240 20 0 GEADRO O=C(CSc1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428593847 648740152 /nfs/dbraw/zinc/74/01/52/648740152.db2.gz CYNUVTGHYVOJAA-AWEZNQCLSA-N 1 0 381.929 2.103 20 0 GEADRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000428594024 648740185 /nfs/dbraw/zinc/74/01/85/648740185.db2.gz CCTHAPQRTNHFKU-SWLSCSKDSA-N 1 0 385.302 2.482 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000428606347 648741102 /nfs/dbraw/zinc/74/11/02/648741102.db2.gz ZOFSCPOGHAQXJK-KMFMINBZSA-N 1 0 398.345 2.382 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000429095209 648744272 /nfs/dbraw/zinc/74/42/72/648744272.db2.gz SCGXQJQGJVRQIJ-DOMZBBRYSA-N 1 0 382.302 2.072 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000429095538 648744306 /nfs/dbraw/zinc/74/43/06/648744306.db2.gz SCGXQJQGJVRQIJ-WFASDCNBSA-N 1 0 382.302 2.072 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000429137010 648745915 /nfs/dbraw/zinc/74/59/15/648745915.db2.gz YBWLZXOYKVJGPK-KCXAZCMYSA-N 1 0 396.329 2.447 20 0 GEADRO COC(=O)CCNC(=O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429283905 648749160 /nfs/dbraw/zinc/74/91/60/648749160.db2.gz ILLRKHYOOFXWLM-INIZCTEOSA-N 1 0 383.286 2.341 20 0 GEADRO CSC[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000429294662 648749916 /nfs/dbraw/zinc/74/99/16/648749916.db2.gz RQDHMIJTUMJBBM-OAHLLOKOSA-N 1 0 381.567 2.108 20 0 GEADRO Cc1cc(NC(=O)C[C@H]2C[NH2+]CCO2)n(-c2cccc(Br)c2)n1 ZINC000429691950 648750388 /nfs/dbraw/zinc/75/03/88/648750388.db2.gz QAJOEHIUUVWPRJ-AWEZNQCLSA-N 1 0 379.258 2.260 20 0 GEADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)c3ccc(Cl)s3)cn2)CC1 ZINC000429720839 648750944 /nfs/dbraw/zinc/75/09/44/648750944.db2.gz ITESYPJEDDNPJD-UHFFFAOYSA-N 1 0 378.885 2.047 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000430542494 648762816 /nfs/dbraw/zinc/76/28/16/648762816.db2.gz KPAOLCYIMIFOLG-CHWSQXEVSA-N 1 0 375.332 2.282 20 0 GEADRO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430695502 648765345 /nfs/dbraw/zinc/76/53/45/648765345.db2.gz HOWVDVMTOYFJDY-QMTHXVAHSA-N 1 0 377.304 2.316 20 0 GEADRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)nc1 ZINC000430730162 648766879 /nfs/dbraw/zinc/76/68/79/648766879.db2.gz IPSOSQMVUJSBKK-LLVKDONJSA-N 1 0 399.314 2.088 20 0 GEADRO COCC[C@]1(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000430899138 648769405 /nfs/dbraw/zinc/76/94/05/648769405.db2.gz YYOKVOHKIKHMDW-MAUKXSAKSA-N 1 0 396.329 2.160 20 0 GEADRO CCCN(CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000430935804 648770571 /nfs/dbraw/zinc/77/05/71/648770571.db2.gz RSALLSQSYUUIKP-CQSZACIVSA-N 1 0 375.332 2.297 20 0 GEADRO OCCN1CC[NH+](CCCCNc2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000432834109 648781264 /nfs/dbraw/zinc/78/12/64/648781264.db2.gz HKKNPPWYBLEVGX-UHFFFAOYSA-N 1 0 387.311 2.937 20 0 GEADRO Cc1ncsc1CN(Cc1cc(=O)n2ccsc2n1)C[C@H]1CC[NH2+]C1 ZINC000435733075 648786337 /nfs/dbraw/zinc/78/63/37/648786337.db2.gz AEEHYWZFTBPREF-ZDUSSCGKSA-N 1 0 375.523 2.133 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c(Cl)c1 ZINC000439886022 648810443 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20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@H](C[NH3+])C1 ZINC000440851478 648816844 /nfs/dbraw/zinc/81/68/44/648816844.db2.gz VKFGZYOKVLCIHA-WDEREUQCSA-N 1 0 397.722 2.229 20 0 GEADRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC000441121323 648820935 /nfs/dbraw/zinc/82/09/35/648820935.db2.gz XRCWQQNRLOQRDV-RYUDHWBXSA-N 1 0 398.301 2.337 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000441542015 648831556 /nfs/dbraw/zinc/83/15/56/648831556.db2.gz CUEUGKRIOLGFPF-LLVKDONJSA-N 1 0 397.310 2.223 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000441625709 648832654 /nfs/dbraw/zinc/83/26/54/648832654.db2.gz ZFCAHTXLKTWOER-GXTWGEPZSA-N 1 0 396.329 2.321 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000442130330 648838781 /nfs/dbraw/zinc/83/87/81/648838781.db2.gz IZNWKEIHDYAKSJ-RYUDHWBXSA-N 1 0 398.301 2.133 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000442329755 648841719 /nfs/dbraw/zinc/84/17/19/648841719.db2.gz FASDLCRIPMWREN-LLVKDONJSA-N 1 0 396.285 2.163 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccc(Br)s1 ZINC000442727511 648848031 /nfs/dbraw/zinc/84/80/31/648848031.db2.gz FSCNGYRBWPMDKE-ZJUUUORDSA-N 1 0 388.331 2.287 20 0 GEADRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000442806307 648849497 /nfs/dbraw/zinc/84/94/97/648849497.db2.gz BBTLHSTUUHMNTK-MYYSRTQBSA-N 1 0 384.567 2.423 20 0 GEADRO [NH3+]CC[C@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000443057851 648858336 /nfs/dbraw/zinc/85/83/36/648858336.db2.gz IJGIUGASMWUYCV-CYBMUJFWSA-N 1 0 375.332 2.284 20 0 GEADRO O=S(=O)(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000443253129 648869152 /nfs/dbraw/zinc/86/91/52/648869152.db2.gz SCWWUNOCKTXDOS-SFHVURJKSA-N 1 0 380.897 2.255 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000443253566 648869697 /nfs/dbraw/zinc/86/96/97/648869697.db2.gz UYOLDWKKQZFJPL-SNVBAGLBSA-N 1 0 382.404 2.111 20 0 GEADRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1c(Cl)ccc2ccccc21 ZINC000443302235 648871255 /nfs/dbraw/zinc/87/12/55/648871255.db2.gz YEMKBCNUSKSCER-UHFFFAOYSA-N 1 0 382.913 2.476 20 0 GEADRO O[C@@H](C[NH2+]Cc1cnc(C(F)(F)F)s1)COc1ccc2c(c1)OCO2 ZINC000443985124 648894549 /nfs/dbraw/zinc/89/45/49/648894549.db2.gz YLQFZYFOYYXFJI-VIFPVBQESA-N 1 0 376.356 2.420 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000548176537 651066740 /nfs/dbraw/zinc/06/67/40/651066740.db2.gz TZWORGLMNQWOCW-UHFFFAOYSA-N 1 0 381.479 2.280 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1Br ZINC000548303685 651076792 /nfs/dbraw/zinc/07/67/92/651076792.db2.gz VAJPNHMUWLOSPQ-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c1 ZINC000548369401 651077818 /nfs/dbraw/zinc/07/78/18/651077818.db2.gz UGDCVGRGIMAQKL-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000548488134 651078784 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GEADRO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)C(C)C ZINC000549985039 651104607 /nfs/dbraw/zinc/10/46/07/651104607.db2.gz KIPVLLKWPROZCB-CYBMUJFWSA-N 1 0 384.318 2.473 20 0 GEADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(F)c(Br)c1 ZINC000550252282 651107881 /nfs/dbraw/zinc/10/78/81/651107881.db2.gz VXXRDKHIGVAKJA-SNVBAGLBSA-N 1 0 380.279 2.179 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000550307288 651109141 /nfs/dbraw/zinc/10/91/41/651109141.db2.gz CBYCWTHKOZHGLP-UHFFFAOYSA-N 1 0 384.318 2.140 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000550328408 651109419 /nfs/dbraw/zinc/10/94/19/651109419.db2.gz MPPWOVCCMIFMJL-UHFFFAOYSA-N 1 0 398.345 2.301 20 0 GEADRO C[C@@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H](C)[N@H+]1C ZINC000550355448 651109803 /nfs/dbraw/zinc/10/98/03/651109803.db2.gz FGAVHYSCXKKCFS-ZOWXZIJZSA-N 1 0 375.282 2.352 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2ccccc2Br)C1 ZINC000550425520 651111332 /nfs/dbraw/zinc/11/13/32/651111332.db2.gz UFNNXPYRYFMDKZ-AWEZNQCLSA-N 1 0 382.302 2.008 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1Cl)C[NH+](C)C ZINC000551040850 651117379 /nfs/dbraw/zinc/11/73/79/651117379.db2.gz BYSJHFAFWQWVAC-VIFPVBQESA-N 1 0 376.682 2.355 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000551176131 651119273 /nfs/dbraw/zinc/11/92/73/651119273.db2.gz UUQXJSAKZQZOCZ-LLVKDONJSA-N 1 0 379.345 2.369 20 0 GEADRO CC1(C)OCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000551198328 651119676 /nfs/dbraw/zinc/11/96/76/651119676.db2.gz MMONKRCMBMPNBR-CQSZACIVSA-N 1 0 391.331 2.275 20 0 GEADRO O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)NCCc1cccc(Cl)c1Cl ZINC000551422118 651124439 /nfs/dbraw/zinc/12/44/39/651124439.db2.gz WHSJKBNNWWNQBV-KBXCAEBGSA-N 1 0 384.307 2.299 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000551433639 651124544 /nfs/dbraw/zinc/12/45/44/651124544.db2.gz LYIZXFQSSQXNRH-UHFFFAOYSA-N 1 0 378.420 2.337 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000551819060 651133636 /nfs/dbraw/zinc/13/36/36/651133636.db2.gz YBBKOUAKRWMMQU-SMDDNHRTSA-N 1 0 387.265 2.160 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000551851519 651134183 /nfs/dbraw/zinc/13/41/83/651134183.db2.gz VCCCRSRKWGXDJU-CQSZACIVSA-N 1 0 398.345 2.344 20 0 GEADRO C[NH+](C)CCCCC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000551991879 651136708 /nfs/dbraw/zinc/13/67/08/651136708.db2.gz NTVRRXGGOFYAGT-MRXNPFEDSA-N 1 0 382.302 2.181 20 0 GEADRO C[NH+](C)CCCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000551991878 651136753 /nfs/dbraw/zinc/13/67/53/651136753.db2.gz NTVRRXGGOFYAGT-INIZCTEOSA-N 1 0 382.302 2.181 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c(Br)c1 ZINC000552025647 651138357 /nfs/dbraw/zinc/13/83/57/651138357.db2.gz GBJRLCJEURQNHV-ACJLOTCBSA-N 1 0 397.313 2.098 20 0 GEADRO CS[C@H](C)C(=O)N(C)CCN(CC[NH+]1CCCCC1)C(=O)[C@H](C)SC ZINC000552183340 651142581 /nfs/dbraw/zinc/14/25/81/651142581.db2.gz WWZIDRHJZOIVOA-CVEARBPZSA-N 1 0 389.631 2.262 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000552191525 651142997 /nfs/dbraw/zinc/14/29/97/651142997.db2.gz JOFAJGKBOCODRL-LLVKDONJSA-N 1 0 388.281 2.003 20 0 GEADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc2cc(Br)ccc2[nH]1 ZINC000552205851 651143725 /nfs/dbraw/zinc/14/37/25/651143725.db2.gz BUGYVEIXCGJAOG-QGZVFWFLSA-N 1 0 378.270 2.117 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000552568327 651152716 /nfs/dbraw/zinc/15/27/16/651152716.db2.gz LTGPZGQLIYNHQP-GXTWGEPZSA-N 1 0 375.332 2.441 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000552747787 651157028 /nfs/dbraw/zinc/15/70/28/651157028.db2.gz WVHRGVQCDRDGTP-UHFFFAOYSA-N 1 0 398.345 2.253 20 0 GEADRO CN(CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)c1ccc(Br)o1 ZINC000553119870 651165430 /nfs/dbraw/zinc/16/54/30/651165430.db2.gz WUKCCUIBLRUMFK-FUNVUKJBSA-N 1 0 398.301 2.198 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)[C@H](C)C1 ZINC000553329353 651171957 /nfs/dbraw/zinc/17/19/57/651171957.db2.gz CWLOUYBPYWKMRP-ZIAGYGMSSA-N 1 0 394.313 2.355 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+]CCc3cc(Br)ccc3F)CC2)N1 ZINC000553370633 651173099 /nfs/dbraw/zinc/17/30/99/651173099.db2.gz CQJGJZMXKWUSEV-UHFFFAOYSA-N 1 0 384.249 2.241 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000553649252 651184362 /nfs/dbraw/zinc/18/43/62/651184362.db2.gz XZAYGBFLRCXEOX-RISCZKNCSA-N 1 0 382.302 2.447 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000553687980 651185447 /nfs/dbraw/zinc/18/54/47/651185447.db2.gz JZMXUUSPBDPARQ-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCn1cc(Br)cn1 ZINC000553937355 651194781 /nfs/dbraw/zinc/19/47/81/651194781.db2.gz SYBFPVQEYCICJF-MCIONIFRSA-N 1 0 386.338 2.311 20 0 GEADRO CC[C@@H](NC(=O)C(=O)N(CCOC)CC[NH+](C)C)c1ccc(Cl)s1 ZINC000554414893 651203649 /nfs/dbraw/zinc/20/36/49/651203649.db2.gz KAHKMUUYWAPONC-GFCCVEGCSA-N 1 0 375.922 2.005 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000554717688 651211306 /nfs/dbraw/zinc/21/13/06/651211306.db2.gz GIDLJEKLEXZIBL-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000554723294 651211728 /nfs/dbraw/zinc/21/17/28/651211728.db2.gz XAPRYWJZSSTSSM-OAHLLOKOSA-N 1 0 379.448 2.456 20 0 GEADRO Cc1cc(Br)cc2c1C[N@H+](CCC(=O)N1CCN(C)CC1)CC2 ZINC000554812378 651213768 /nfs/dbraw/zinc/21/37/68/651213768.db2.gz ROKIVNOBYXHTQO-UHFFFAOYSA-N 1 0 380.330 2.280 20 0 GEADRO CNC(=O)CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000555880912 651231929 /nfs/dbraw/zinc/23/19/29/651231929.db2.gz ZIPMIQJDCBEMEG-LBPRGKRZSA-N 1 0 383.290 2.021 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000555912221 651232774 /nfs/dbraw/zinc/23/27/74/651232774.db2.gz IVLDMZBGUYLLPG-CQSZACIVSA-N 1 0 396.329 2.304 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1 ZINC000556209056 651238365 /nfs/dbraw/zinc/23/83/65/651238365.db2.gz UPZDTLDZBFTTKZ-QAPCUYQASA-N 1 0 383.945 2.461 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1OC ZINC000556335077 651241507 /nfs/dbraw/zinc/24/15/07/651241507.db2.gz DALRTYSKVYOVAT-UHFFFAOYSA-N 1 0 392.905 2.001 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000556378874 651241802 /nfs/dbraw/zinc/24/18/02/651241802.db2.gz MLOULQUKGZQKFK-UHFFFAOYSA-N 1 0 392.905 2.098 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000556411094 651243422 /nfs/dbraw/zinc/24/34/22/651243422.db2.gz WIYKCSZPXUSCGN-UHFFFAOYSA-N 1 0 382.707 2.132 20 0 GEADRO Cc1cc(Br)cn2c(CN3CC[N@@H+](C[C@@H](C)O)C[C@H]3C)cnc12 ZINC000556615960 651248209 /nfs/dbraw/zinc/24/82/09/651248209.db2.gz FOPHEOAEAUEIEC-ZIAGYGMSSA-N 1 0 381.318 2.292 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1cc(OC)ccc1Br ZINC000556797555 651252869 /nfs/dbraw/zinc/25/28/69/651252869.db2.gz MMQYFBFEVMYPEV-AWEZNQCLSA-N 1 0 387.318 2.209 20 0 GEADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccn3)s2)C1 ZINC000556845957 651255413 /nfs/dbraw/zinc/25/54/13/651255413.db2.gz SYTAVILEZWBIIO-CYBMUJFWSA-N 1 0 378.523 2.251 20 0 GEADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)[C@@H]1CCOC1 ZINC000556916148 651257087 /nfs/dbraw/zinc/25/70/87/651257087.db2.gz XIAMJDVGSDXWSJ-CHWSQXEVSA-N 1 0 391.331 2.132 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1OC ZINC000557140844 651264357 /nfs/dbraw/zinc/26/43/57/651264357.db2.gz YZZSOIKADXVKRN-YPMHNXCESA-N 1 0 398.301 2.217 20 0 GEADRO Cc1nc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c(Br)s1 ZINC000557630382 651270887 /nfs/dbraw/zinc/27/08/87/651270887.db2.gz BNWURHOLOAJLDH-LBPRGKRZSA-N 1 0 389.363 2.216 20 0 GEADRO CN(CCC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)c1cc[nH+]cc1 ZINC000557713923 651273129 /nfs/dbraw/zinc/27/31/29/651273129.db2.gz DFKRHZFDRMEZKJ-MRXNPFEDSA-N 1 0 391.269 2.013 20 0 GEADRO COc1cc(C[NH2+]C[C@@H](CO)C2CC2)cc(I)c1OC ZINC000558492783 651280783 /nfs/dbraw/zinc/28/07/83/651280783.db2.gz MFGDPRSXYNBXKN-LBPRGKRZSA-N 1 0 391.249 2.417 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000558584645 651282152 /nfs/dbraw/zinc/28/21/52/651282152.db2.gz ZKSMKTWANSURRP-LBPRGKRZSA-N 1 0 391.331 2.219 20 0 GEADRO CSC1(CNC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC[NH+](C)CC1 ZINC000558610253 651283228 /nfs/dbraw/zinc/28/32/28/651283228.db2.gz QOEOCFHSIAPYND-CQSZACIVSA-N 1 0 387.615 2.268 20 0 GEADRO CC[NH+]1CCC(NC(=O)CSc2nnc3ccc(Br)cn32)CC1 ZINC000558862193 651287125 /nfs/dbraw/zinc/28/71/25/651287125.db2.gz IBYUXLQFVDKSAT-UHFFFAOYSA-N 1 0 398.330 2.184 20 0 GEADRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)CS1 ZINC000559001122 651289549 /nfs/dbraw/zinc/28/95/49/651289549.db2.gz AKJGCQQXYSGYRK-SJLPKXTDSA-N 1 0 384.567 2.327 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000559114540 651291072 /nfs/dbraw/zinc/29/10/72/651291072.db2.gz NUVLYCYJEAIUHJ-LSDHHAIUSA-N 1 0 379.309 2.477 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000559243752 651293520 /nfs/dbraw/zinc/29/35/20/651293520.db2.gz MDZVOWQYBDKUDK-AWEZNQCLSA-N 1 0 387.343 2.320 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000559259804 651293893 /nfs/dbraw/zinc/29/38/93/651293893.db2.gz FFIUDMFKIOUXQA-CYBMUJFWSA-N 1 0 375.332 2.224 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000559516852 651296999 /nfs/dbraw/zinc/29/69/99/651296999.db2.gz KIEQFQNCCDSMJE-UHFFFAOYSA-N 1 0 378.420 2.179 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000559602436 651298493 /nfs/dbraw/zinc/29/84/93/651298493.db2.gz PAJFSYZYQSDLCB-OKILXGFUSA-N 1 0 396.329 2.444 20 0 GEADRO CCSCC[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000559960513 651301841 /nfs/dbraw/zinc/30/18/41/651301841.db2.gz BFOXXHLNRRJTSF-OAHLLOKOSA-N 1 0 387.615 2.112 20 0 GEADRO COCC[C@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000560181601 651304710 /nfs/dbraw/zinc/30/47/10/651304710.db2.gz DJXMMYAXKGKJLI-ABAIWWIYSA-N 1 0 390.311 2.254 20 0 GEADRO Cn1cc(Br)c(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)n1 ZINC000560197880 651304737 /nfs/dbraw/zinc/30/47/37/651304737.db2.gz CAVFTTIFKDONAB-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO Cc1csc(S(=O)(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000560271696 651305977 /nfs/dbraw/zinc/30/59/77/651305977.db2.gz BATFKKFZLRYBKK-QGZVFWFLSA-N 1 0 379.551 2.324 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000560399410 651308694 /nfs/dbraw/zinc/30/86/94/651308694.db2.gz SFHNUBYEHHYQTN-HOCLYGCPSA-N 1 0 392.301 2.427 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000560414098 651308866 /nfs/dbraw/zinc/30/88/66/651308866.db2.gz HMIMHHSNQIDUTJ-QGZVFWFLSA-N 1 0 386.945 2.006 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000560671193 651313687 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381.270 2.193 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cn1ccnc1 ZINC000564652398 651573160 /nfs/dbraw/zinc/57/31/60/651573160.db2.gz OSMNNFGYGDCYRE-UHFFFAOYSA-N 1 0 380.290 2.282 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)ccc1Br ZINC000564662543 651573681 /nfs/dbraw/zinc/57/36/81/651573681.db2.gz ZVIBBPSTNLWFFS-UHFFFAOYSA-N 1 0 377.304 2.207 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccc(Cl)c(F)c2)c1 ZINC000729686849 651574893 /nfs/dbraw/zinc/57/48/93/651574893.db2.gz QVBIGVPSMQVLQA-UHFFFAOYSA-N 1 0 385.848 2.116 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000564798150 651580802 /nfs/dbraw/zinc/58/08/02/651580802.db2.gz NXDTUQICHDGAJN-MNOVXSKESA-N 1 0 396.285 2.067 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000564798151 651581021 /nfs/dbraw/zinc/58/10/21/651581021.db2.gz NXDTUQICHDGAJN-QWRGUYRKSA-N 1 0 396.285 2.067 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000564868621 651582016 /nfs/dbraw/zinc/58/20/16/651582016.db2.gz HOOHRPWTJRQAAV-RYUDHWBXSA-N 1 0 382.309 2.148 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000564896795 651583678 /nfs/dbraw/zinc/58/36/78/651583678.db2.gz APKNWYUHMXUZDD-GJZGRUSLSA-N 1 0 382.302 2.073 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000564910045 651584730 /nfs/dbraw/zinc/58/47/30/651584730.db2.gz VBGBIKGKUZULRM-NSHDSACASA-N 1 0 384.303 2.126 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000564982095 651585868 /nfs/dbraw/zinc/58/58/68/651585868.db2.gz VFECDNNDZDGYDW-ZOWXZIJZSA-N 1 0 382.302 2.355 20 0 GEADRO [NH3+][C@@H]1C[C@@H]2CN(c3ccc4cc(Br)cc(Cl)c4n3)CCN2C1=O ZINC000565233878 651589845 /nfs/dbraw/zinc/58/98/45/651589845.db2.gz YZRAXBVUCZNUBO-DGCLKSJQSA-N 1 0 395.688 2.399 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(c3ccc4cc(Br)cc(Cl)c4n3)CCN2C1=O ZINC000565233879 651589998 /nfs/dbraw/zinc/58/99/98/651589998.db2.gz YZRAXBVUCZNUBO-WCQYABFASA-N 1 0 395.688 2.399 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000645154305 651590785 /nfs/dbraw/zinc/59/07/85/651590785.db2.gz VJOOBTPBZUBJFC-AWEZNQCLSA-N 1 0 387.343 2.322 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000645154306 651590856 /nfs/dbraw/zinc/59/08/56/651590856.db2.gz VJOOBTPBZUBJFC-CQSZACIVSA-N 1 0 387.343 2.322 20 0 GEADRO C[C@@H](C[NH2+]C[C@H](O)CN1CCOCC1)Sc1ccc(Br)cc1 ZINC000565300280 651592053 /nfs/dbraw/zinc/59/20/53/651592053.db2.gz PPZZHDWYJGRXFB-ZFWWWQNUSA-N 1 0 389.359 2.212 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000566213646 651603643 /nfs/dbraw/zinc/60/36/43/651603643.db2.gz ZMTCMRRWDQZVHF-NEPJUHHUSA-N 1 0 394.509 2.450 20 0 GEADRO C[NH+](C)CCN1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000730599348 651604347 /nfs/dbraw/zinc/60/43/47/651604347.db2.gz SLBSJMPVSINOMC-UHFFFAOYSA-N 1 0 376.448 2.461 20 0 GEADRO OCCN1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000566231752 651605770 /nfs/dbraw/zinc/60/57/70/651605770.db2.gz TUDADMHEYBCAGN-LSDHHAIUSA-N 1 0 377.312 2.170 20 0 GEADRO CO[C@@H](CS(=O)(=O)NCC1([NH+](C)C)CCCCCC1)C1CCOCC1 ZINC000645464495 651607583 /nfs/dbraw/zinc/60/75/83/651607583.db2.gz VXXUORHYJGJIPW-KRWDZBQOSA-N 1 0 376.563 2.002 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)n2)s1 ZINC000645532460 651617226 /nfs/dbraw/zinc/61/72/26/651617226.db2.gz KJCDCUXSPSOGQP-NSHDSACASA-N 1 0 379.511 2.080 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000731478459 651625845 /nfs/dbraw/zinc/62/58/45/651625845.db2.gz FCAHHNLDCJRNNF-GQCTYLIASA-N 1 0 398.301 2.114 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000731481483 651626378 /nfs/dbraw/zinc/62/63/78/651626378.db2.gz VYNGUUOBHOGBKI-UHFFFAOYSA-N 1 0 375.300 2.004 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(Br)c1 ZINC000567573935 651627047 /nfs/dbraw/zinc/62/70/47/651627047.db2.gz PHTFLMNLCXYPQQ-JKSUJKDBSA-N 1 0 381.295 2.483 20 0 GEADRO COc1ncc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000645615047 651628003 /nfs/dbraw/zinc/62/80/03/651628003.db2.gz GRNBHWWMPXCRPL-BLLLJJGKSA-N 1 0 385.917 2.381 20 0 GEADRO COc1ncc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000645615048 651628078 /nfs/dbraw/zinc/62/80/78/651628078.db2.gz GRNBHWWMPXCRPL-LRDDRELGSA-N 1 0 385.917 2.381 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000645620251 651629179 /nfs/dbraw/zinc/62/91/79/651629179.db2.gz BLXWUEZMNCBYHU-ZANVPECISA-N 1 0 386.677 2.204 20 0 GEADRO C[C@@H]1COCC[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567606538 651629279 /nfs/dbraw/zinc/62/92/79/651629279.db2.gz RYINPKBQELOWPD-CHWSQXEVSA-N 1 0 376.316 2.485 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000645623551 651629385 /nfs/dbraw/zinc/62/93/85/651629385.db2.gz AQZQSGQGRCLWKZ-DOMZBBRYSA-N 1 0 380.286 2.113 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(Cl)c3Br)[C@@H]2C1 ZINC000645624509 651629715 /nfs/dbraw/zinc/62/97/15/651629715.db2.gz QGFRREKVBJHVNA-JOYOIKCWSA-N 1 0 386.677 2.204 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc(C)c1Br ZINC000645624812 651629831 /nfs/dbraw/zinc/62/98/31/651629831.db2.gz XCERFBVAHDLAPR-JSGCOSHPSA-N 1 0 380.286 2.167 20 0 GEADRO COC[C@]1(CNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)CCC[NH2+]1 ZINC000567672791 651633587 /nfs/dbraw/zinc/63/35/87/651633587.db2.gz KIPRFGPJJQAZIQ-CXAGYDPISA-N 1 0 385.302 2.410 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000567679757 651634016 /nfs/dbraw/zinc/63/40/16/651634016.db2.gz FCBNSZFSPQJVFT-QGZVFWFLSA-N 1 0 382.913 2.120 20 0 GEADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000567845511 651637646 /nfs/dbraw/zinc/63/76/46/651637646.db2.gz HKOKNHVJYYXATC-ROUUACIJSA-N 1 0 380.897 2.158 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2C)C1 ZINC000567914951 651639575 /nfs/dbraw/zinc/63/95/75/651639575.db2.gz BMKMBZMTMDPYNV-AWEZNQCLSA-N 1 0 396.329 2.174 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCc3cc(Br)ccc32)n1 ZINC000567924235 651639661 /nfs/dbraw/zinc/63/96/61/651639661.db2.gz WERYIAKPMHNSST-HNNXBMFYSA-N 1 0 377.286 2.876 20 0 GEADRO COc1ncc(S(=O)(=O)N2CC(N(C)Cc3ccccc3)C2)cc1Cl ZINC000645711108 651641574 /nfs/dbraw/zinc/64/15/74/651641574.db2.gz QLBDPVBFHNHGOS-UHFFFAOYSA-N 1 0 381.885 2.249 20 0 GEADRO CN(CN1c2cc(Br)ccc2C(=O)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732187970 651647851 /nfs/dbraw/zinc/64/78/51/651647851.db2.gz CCOKQPOVLOGRPG-CYBMUJFWSA-N 1 0 378.270 2.104 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732221858 651648838 /nfs/dbraw/zinc/64/88/38/651648838.db2.gz NWWNEELEHMEWIT-UHFFFAOYSA-N 1 0 386.905 2.147 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c1 ZINC000568087502 651650539 /nfs/dbraw/zinc/65/05/39/651650539.db2.gz HWXQLYUBPHZIJL-LLVKDONJSA-N 1 0 377.304 2.350 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000732229989 651650593 /nfs/dbraw/zinc/65/05/93/651650593.db2.gz SYZONSOFLHTUSK-HUUCEWRRSA-N 1 0 388.965 2.169 20 0 GEADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2cc(Br)ccn2)c1 ZINC000645785417 651651385 /nfs/dbraw/zinc/65/13/85/651651385.db2.gz ZFGZTJBHACEMFI-UHFFFAOYSA-N 1 0 391.269 2.161 20 0 GEADRO COC(=O)[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)CC1CC1 ZINC000568151926 651652823 /nfs/dbraw/zinc/65/28/23/651652823.db2.gz QCYDRHIRHDJMBM-YVEFUNNKSA-N 1 0 383.286 2.329 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000568162322 651653326 /nfs/dbraw/zinc/65/33/26/651653326.db2.gz UYBBBGMFXOMVCE-MNOVXSKESA-N 1 0 377.304 2.266 20 0 GEADRO O=C(CC[NH+]1CCC(N2CN=NC2=O)CC1)Nc1ccc(Br)cc1 ZINC000568167671 651653831 /nfs/dbraw/zinc/65/38/31/651653831.db2.gz LFHPXHNLCXKUEZ-UHFFFAOYSA-N 1 0 394.273 2.412 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CN1CC=C(c2cccc(Br)c2)CC1 ZINC000568166513 651654004 /nfs/dbraw/zinc/65/40/04/651654004.db2.gz MMJQFNYIUUIRIU-GOSISDBHSA-N 1 0 383.330 2.477 20 0 GEADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000568195282 651655568 /nfs/dbraw/zinc/65/55/68/651655568.db2.gz BNEUALIUSTXENE-HUUCEWRRSA-N 1 0 380.476 2.366 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1(C)C ZINC000568217434 651656871 /nfs/dbraw/zinc/65/68/71/651656871.db2.gz RJBHUZRLSXUPHO-CYBMUJFWSA-N 1 0 380.286 2.428 20 0 GEADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000568222616 651657769 /nfs/dbraw/zinc/65/77/69/651657769.db2.gz WCIVHEWTOORGGC-DZGCQCFKSA-N 1 0 398.345 2.200 20 0 GEADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000568222617 651657862 /nfs/dbraw/zinc/65/78/62/651657862.db2.gz WCIVHEWTOORGGC-HIFRSBDPSA-N 1 0 398.345 2.200 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1Cl ZINC000568278427 651661569 /nfs/dbraw/zinc/66/15/69/651661569.db2.gz SKMXQWWJTZQQMK-XJKSGUPXSA-N 1 0 388.917 2.256 20 0 GEADRO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C[NH+](C)C ZINC000568281524 651661799 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O=S(=O)(c1ccccc1Cl)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647872207 651763674 /nfs/dbraw/zinc/76/36/74/651763674.db2.gz GXCFJMNNYDXMBX-UHFFFAOYSA-N 1 0 385.961 2.426 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647957790 651767105 /nfs/dbraw/zinc/76/71/05/651767105.db2.gz KUMIHRNBNMMCFO-OAHLLOKOSA-N 1 0 386.334 2.329 20 0 GEADRO CSC1(CNS(=O)(=O)c2ccccc2OC(F)F)CC[NH+](C)CC1 ZINC000570438429 651767204 /nfs/dbraw/zinc/76/72/04/651767204.db2.gz GTYOROAQCXGFJI-UHFFFAOYSA-N 1 0 380.482 2.394 20 0 GEADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000570450715 651768232 /nfs/dbraw/zinc/76/82/32/651768232.db2.gz RLWKEZOZUOKGKD-UHFFFAOYSA-N 1 0 384.395 2.214 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[NH2+]CCC1(F)F ZINC000648021216 651770574 /nfs/dbraw/zinc/77/05/74/651770574.db2.gz BYRWANZUOCUWKT-UWVGGRQHSA-N 1 0 383.222 2.094 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000612871784 651773905 /nfs/dbraw/zinc/77/39/05/651773905.db2.gz PWJBLSFSSUMQMH-KRWDZBQOSA-N 1 0 384.318 2.092 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000648102197 651773974 /nfs/dbraw/zinc/77/39/74/651773974.db2.gz CSKRRLSUUYHWDY-DXLKZPDWSA-N 1 0 377.242 2.427 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875523 651774407 /nfs/dbraw/zinc/77/44/07/651774407.db2.gz KZZXBHPWXXALDZ-INIZCTEOSA-N 1 0 383.290 2.137 20 0 GEADRO COc1cc(CNC2CC([NH+](C)C)C2)cc(I)c1OC ZINC000570582065 651776581 /nfs/dbraw/zinc/77/65/81/651776581.db2.gz XRXAUYKRCCBCHN-UHFFFAOYSA-N 1 0 390.265 2.491 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cnc(Cl)c(C)c2)CC1 ZINC000735315977 651777160 /nfs/dbraw/zinc/77/71/60/651777160.db2.gz UENCKGWKGZSFOY-UHFFFAOYSA-N 1 0 375.922 2.211 20 0 GEADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccnc1-n1cc(Br)cn1 ZINC000648293219 651777325 /nfs/dbraw/zinc/77/73/25/651777325.db2.gz TVMRYEIKQBGMPV-CQSZACIVSA-N 1 0 390.285 2.244 20 0 GEADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000570630566 651779449 /nfs/dbraw/zinc/77/94/49/651779449.db2.gz AYBUQUFVBAFIJT-RYUDHWBXSA-N 1 0 381.267 2.263 20 0 GEADRO C[NH2+][C@@H](C)C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000570652746 651780739 /nfs/dbraw/zinc/78/07/39/651780739.db2.gz UUILVMNNIZJFEP-NSHDSACASA-N 1 0 388.249 2.269 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2nc3ccsc3s2)CC1 ZINC000735577570 651787358 /nfs/dbraw/zinc/78/73/58/651787358.db2.gz UHYBBPVCTNPUNJ-UHFFFAOYSA-N 1 0 379.511 2.130 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000648586478 651790527 /nfs/dbraw/zinc/79/05/27/651790527.db2.gz SQSGHAMBRIFQFS-NHYWBVRUSA-N 1 0 385.302 2.165 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2cccc(Br)c2C1 ZINC000735681954 651790902 /nfs/dbraw/zinc/79/09/02/651790902.db2.gz HBXKGNYULXGHDU-LSDHHAIUSA-N 1 0 394.313 2.380 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2c(F)cccc2I)[C@H](C[NH3+])C1 ZINC000570792956 651791203 /nfs/dbraw/zinc/79/12/03/651791203.db2.gz FFBSWZZLBUIVIG-VHSXEESVSA-N 1 0 392.212 2.009 20 0 GEADRO C[C@]([NH3+])(C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1)c1ccc(Br)cc1 ZINC000570799002 651792480 /nfs/dbraw/zinc/79/24/80/651792480.db2.gz AFIDFKGCXPCFQM-XJKSGUPXSA-N 1 0 379.258 2.836 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570811243 651793570 /nfs/dbraw/zinc/79/35/70/651793570.db2.gz CECAJDOZZZKKFS-KGLIPLIRSA-N 1 0 392.297 2.229 20 0 GEADRO C[C@@H](CC(=O)N1CCN(c2cc[nH+]cc2)CC1)n1cc(Br)cn1 ZINC000648718462 651796238 /nfs/dbraw/zinc/79/62/38/651796238.db2.gz KTXFARGJRKZNBZ-ZDUSSCGKSA-N 1 0 378.274 2.341 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000570881218 651797205 /nfs/dbraw/zinc/79/72/05/651797205.db2.gz YEAZXJRMFWEEOC-GOSISDBHSA-N 1 0 385.961 2.270 20 0 GEADRO C[C@H](CC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)n1cc(Br)cn1 ZINC000648753761 651799297 /nfs/dbraw/zinc/79/92/97/651799297.db2.gz IBIRNIZHAZSMJK-GDBMZVCRSA-N 1 0 399.333 2.310 20 0 GEADRO C[C@@H]1[C@H](C(=O)NCCC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000648778843 651802069 /nfs/dbraw/zinc/80/20/69/651802069.db2.gz PWJBXXYDQMYWED-UKRRQHHQSA-N 1 0 396.329 2.254 20 0 GEADRO CC(C)C[C@](C)(C[NH3+])NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000570967866 651802763 /nfs/dbraw/zinc/80/27/63/651802763.db2.gz XJXSJBQEYGSBRZ-OAHLLOKOSA-N 1 0 396.340 2.151 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1 ZINC000570982894 651803715 /nfs/dbraw/zinc/80/37/15/651803715.db2.gz GLUBLTIAANWTDX-OAHLLOKOSA-N 1 0 383.330 2.448 20 0 GEADRO O=C(CSc1ccc(C(F)(F)F)cn1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000570998603 651804184 /nfs/dbraw/zinc/80/41/84/651804184.db2.gz JWTGECYARZMPPB-ZDUSSCGKSA-N 1 0 377.432 2.156 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1c2ccc(Br)cc2nn1C ZINC000648796169 651804317 /nfs/dbraw/zinc/80/43/17/651804317.db2.gz SLYUWDGQVDYIRB-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1nc2cc(Br)cc(NC(=O)N3CCN(C)C[C@H]3C[NH3+])c2o1 ZINC000571028442 651806478 /nfs/dbraw/zinc/80/64/78/651806478.db2.gz STTCBBSZOVSMOD-LLVKDONJSA-N 1 0 382.262 2.005 20 0 GEADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCC[NH2+]C1CCCCCC1 ZINC000571047721 651808039 /nfs/dbraw/zinc/80/80/39/651808039.db2.gz INYYSATVOQAVKD-UHFFFAOYSA-N 1 0 387.933 2.047 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Br ZINC000571056466 651809194 /nfs/dbraw/zinc/80/91/94/651809194.db2.gz VFIBZOOABNNCDS-UMNHJUIQSA-N 1 0 384.249 2.031 20 0 GEADRO CCCN(C(=O)c1cc(Cn2cc(Br)cn2)on1)[C@@H]1CC[N@H+](C)C1 ZINC000648998636 651810488 /nfs/dbraw/zinc/81/04/88/651810488.db2.gz PANQFMCFAFNKHM-CYBMUJFWSA-N 1 0 396.289 2.238 20 0 GEADRO COc1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c(Cl)c1 ZINC000571091757 651810531 /nfs/dbraw/zinc/81/05/31/651810531.db2.gz CXRIBGOIHRPISH-UHFFFAOYSA-N 1 0 378.947 2.454 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2ccc(Br)cc2F)C1 ZINC000614067536 651811335 /nfs/dbraw/zinc/81/13/35/651811335.db2.gz IDBOTPCOTHAUGP-KRWDZBQOSA-N 1 0 387.293 2.436 20 0 GEADRO CO[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1Br ZINC000614071540 651811778 /nfs/dbraw/zinc/81/17/78/651811778.db2.gz REJDMZGAYVDSAV-DOTOQJQBSA-N 1 0 385.302 2.052 20 0 GEADRO CCn1nnc(C)c1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000571135084 651812564 /nfs/dbraw/zinc/81/25/64/651812564.db2.gz DIHCPHIBPVVBSD-UHFFFAOYSA-N 1 0 394.317 2.495 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000571153866 651813660 /nfs/dbraw/zinc/81/36/60/651813660.db2.gz XMIXTXHKWJGXRV-NVXWUHKLSA-N 1 0 386.945 2.037 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)CCc1ccccc1)c1cccc(Cl)c1 ZINC000571158120 651814387 /nfs/dbraw/zinc/81/43/87/651814387.db2.gz XBFYCCDNTIGTAR-QGZVFWFLSA-N 1 0 382.913 2.202 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649072989 651814321 /nfs/dbraw/zinc/81/43/21/651814321.db2.gz MPJZPXSJYRZTPS-UONOGXRCSA-N 1 0 396.329 2.206 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c[nH]c2cccc(Br)c12 ZINC000649072409 651814421 /nfs/dbraw/zinc/81/44/21/651814421.db2.gz DECNCWLTYRTLKU-LLVKDONJSA-N 1 0 393.285 2.122 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Cl)ccc1OC(F)F ZINC000649074769 651814982 /nfs/dbraw/zinc/81/49/82/651814982.db2.gz PEPICGDHCIVGNB-JTQLQIEISA-N 1 0 375.803 2.133 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Cl)ccc1OC(F)F ZINC000649074770 651815007 /nfs/dbraw/zinc/81/50/07/651815007.db2.gz PEPICGDHCIVGNB-SNVBAGLBSA-N 1 0 375.803 2.133 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1Cl ZINC000571226302 651819148 /nfs/dbraw/zinc/81/91/48/651819148.db2.gz IZZBZMCFPQPLGR-GWCFXTLKSA-N 1 0 387.267 2.168 20 0 GEADRO C[C@@H](CNC(=O)c1cccnc1-n1cc(Br)cn1)C[NH+]1CCCC1 ZINC000571253476 651820594 /nfs/dbraw/zinc/82/05/94/651820594.db2.gz CDRIQJBVWSVZLQ-ZDUSSCGKSA-N 1 0 392.301 2.492 20 0 GEADRO CN(CCN1CC[NH2+]CC1)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000649271473 651822244 /nfs/dbraw/zinc/82/22/44/651822244.db2.gz IUMCVFVINUDSRN-UHFFFAOYSA-N 1 0 378.929 2.370 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649342239 651823399 /nfs/dbraw/zinc/82/33/99/651823399.db2.gz VMKBBQXREUAKDP-CQSZACIVSA-N 1 0 396.329 2.033 20 0 GEADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@@H]4CC[NH2+][C@H]4C3)cs2)cc1 ZINC000649419528 651825444 /nfs/dbraw/zinc/82/54/44/651825444.db2.gz UFTAVADXIAFDCE-GUYCJALGSA-N 1 0 377.535 2.397 20 0 GEADRO CSC[C@H](O)C[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000571397203 651830276 /nfs/dbraw/zinc/83/02/76/651830276.db2.gz WTECFRILMCDVRP-CQSZACIVSA-N 1 0 382.507 2.091 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2nscc2Br)cc1 ZINC000649606283 651832030 /nfs/dbraw/zinc/83/20/30/651832030.db2.gz ZXOXHNPRVFWFIY-UHFFFAOYSA-N 1 0 397.298 2.449 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000571439562 651832909 /nfs/dbraw/zinc/83/29/09/651832909.db2.gz QVYMFEDEGQXEIP-SDDRHHMPSA-N 1 0 390.297 2.164 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C(F)F ZINC000571523322 651837605 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CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)s1 ZINC000650204077 651848275 /nfs/dbraw/zinc/84/82/75/651848275.db2.gz XBLLHEAAXLHVEC-GFCCVEGCSA-N 1 0 375.560 2.344 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1OC ZINC000571761286 651851866 /nfs/dbraw/zinc/85/18/66/651851866.db2.gz FCIDYEVZZYGSLI-ZWNOBZJWSA-N 1 0 390.889 2.026 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)[C@@H]2C1 ZINC000615182534 651854329 /nfs/dbraw/zinc/85/43/29/651854329.db2.gz KFFLUWFYRRSPEY-MPESAESLSA-N 1 0 380.286 2.084 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc(Br)cc1O ZINC000615268296 651858747 /nfs/dbraw/zinc/85/87/47/651858747.db2.gz GHOLSEVMGRJUBH-LSDHHAIUSA-N 1 0 383.286 2.019 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000615267355 651858769 /nfs/dbraw/zinc/85/87/69/651858769.db2.gz QTTBCVUYIXMWNG-DLBZAZTESA-N 1 0 396.329 2.450 20 0 GEADRO C[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000615272495 651859128 /nfs/dbraw/zinc/85/91/28/651859128.db2.gz GSCQEBVNXBRJEX-AWEZNQCLSA-N 1 0 380.330 2.258 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cc(Br)c(F)cc3F)C2)CC1 ZINC000615273441 651859357 /nfs/dbraw/zinc/85/93/57/651859357.db2.gz RHLXCWJGUIUHLW-UHFFFAOYSA-N 1 0 388.256 2.047 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1)[C@H](C)[NH3+] ZINC000571880582 651859466 /nfs/dbraw/zinc/85/94/66/651859466.db2.gz GPPBVQCFSBVKEJ-SCRDCRAPSA-N 1 0 376.906 2.302 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccc(Br)cc1F ZINC000615276288 651859788 /nfs/dbraw/zinc/85/97/88/651859788.db2.gz RCXWSUDXVVYQJB-HOTGVXAUSA-N 1 0 385.277 2.452 20 0 GEADRO CN1CCN(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@H](C[NH3+])C1 ZINC000571897086 651860569 /nfs/dbraw/zinc/86/05/69/651860569.db2.gz LJEAGGFWXSCEPS-MGPQQGTHSA-N 1 0 399.308 2.119 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000571997238 651866523 /nfs/dbraw/zinc/86/65/23/651866523.db2.gz MQNNLPPEKJHICI-CQSZACIVSA-N 1 0 378.885 2.194 20 0 GEADRO CO[C@H]1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000572001480 651866722 /nfs/dbraw/zinc/86/67/22/651866722.db2.gz SICDOSQTFCQKGM-OLZOCXBDSA-N 1 0 381.325 2.205 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000572037485 651869246 /nfs/dbraw/zinc/86/92/46/651869246.db2.gz JSINRGFPSACZON-ZDUSSCGKSA-N 1 0 384.527 2.154 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651023239 651869482 /nfs/dbraw/zinc/86/94/82/651869482.db2.gz IDWUYCCJBRNMGP-OAHLLOKOSA-N 1 0 396.329 2.069 20 0 GEADRO COc1ccc(CCC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000615658118 651870398 /nfs/dbraw/zinc/87/03/98/651870398.db2.gz CJUSOJKOVRGZEE-HNNXBMFYSA-N 1 0 399.329 2.353 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1nc2ccccc2s1 ZINC000572152147 651876314 /nfs/dbraw/zinc/87/63/14/651876314.db2.gz NUZWCEXKDVBTEF-VHDGCEQUSA-N 1 0 381.523 2.169 20 0 GEADRO C[C@@H](C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000651461242 651881719 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CCOc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000572406091 651890445 /nfs/dbraw/zinc/89/04/45/651890445.db2.gz CGDJMDHYUZXOLD-ZDUSSCGKSA-N 1 0 384.274 2.045 20 0 GEADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000572484230 651895563 /nfs/dbraw/zinc/89/55/63/651895563.db2.gz HWQUJYIVDXFWLE-ZOWXZIJZSA-N 1 0 399.333 2.269 20 0 GEADRO O=S1(=O)CCCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000572512910 651897025 /nfs/dbraw/zinc/89/70/25/651897025.db2.gz QYDSFPMNMXDILD-DZGCQCFKSA-N 1 0 381.416 2.002 20 0 GEADRO COc1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000572522960 651897540 /nfs/dbraw/zinc/89/75/40/651897540.db2.gz QGXTUDGTJRRNOA-MNOVXSKESA-N 1 0 377.304 2.254 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(I)cc1 ZINC000572527867 651897774 /nfs/dbraw/zinc/89/77/74/651897774.db2.gz AHVLMDRYTUROHD-NSHDSACASA-N 1 0 396.294 2.298 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1(c2ccc(Br)cc2)CCCC1 ZINC000572524569 651897896 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/nfs/dbraw/zinc/91/79/87/651917987.db2.gz VMPGCGUDORYFRC-CQSZACIVSA-N 1 0 383.945 2.435 20 0 GEADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 ZINC000652634114 651920617 /nfs/dbraw/zinc/92/06/17/651920617.db2.gz PZUGKUYAZQCCDG-UHFFFAOYSA-N 1 0 375.803 2.168 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652642244 651920914 /nfs/dbraw/zinc/92/09/14/651920914.db2.gz ASDAZBVVWUIGSH-UHFFFAOYSA-N 1 0 386.265 2.423 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1scnc1C)c1ccsc1 ZINC000572904865 651920849 /nfs/dbraw/zinc/92/08/49/651920849.db2.gz SOXHVAMPQUONLO-AWEZNQCLSA-N 1 0 380.539 2.329 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000616988996 651921095 /nfs/dbraw/zinc/92/10/95/651921095.db2.gz BFTGNCVHBKNAGB-ZDUSSCGKSA-N 1 0 396.329 2.416 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000572915110 651921262 /nfs/dbraw/zinc/92/12/62/651921262.db2.gz GVPUTUYSINSWFE-NSHDSACASA-N 1 0 391.921 2.316 20 0 GEADRO CSc1ncc(Cl)c(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000617113363 651925782 /nfs/dbraw/zinc/92/57/82/651925782.db2.gz CXFDTJXUXQTDHJ-UHFFFAOYSA-N 1 0 384.933 2.473 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000572976938 651926947 /nfs/dbraw/zinc/92/69/47/651926947.db2.gz QBIWKVAOFFKCLB-BXUZGUMPSA-N 1 0 385.295 2.398 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000573085305 651933940 /nfs/dbraw/zinc/93/39/40/651933940.db2.gz ACWOONAUTKMSCT-HNNXBMFYSA-N 1 0 379.302 2.229 20 0 GEADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000573100683 651934325 /nfs/dbraw/zinc/93/43/25/651934325.db2.gz HIYQXTHRKMCXOK-UHFFFAOYSA-N 1 0 385.427 2.006 20 0 GEADRO NS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000573124256 651935951 /nfs/dbraw/zinc/93/59/51/651935951.db2.gz WIWDSLKHVIXORT-GOSISDBHSA-N 1 0 380.897 2.301 20 0 GEADRO [NH3+]CC1(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000653219701 651936387 /nfs/dbraw/zinc/93/63/87/651936387.db2.gz NTPBKGLEDFAEAJ-OAHLLOKOSA-N 1 0 394.313 2.299 20 0 GEADRO [NH3+]CC1(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000653217767 651936426 /nfs/dbraw/zinc/93/64/26/651936426.db2.gz HBOPTGWUYQLQBQ-LBPRGKRZSA-N 1 0 380.286 2.047 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)sc1C(F)(F)F ZINC000573176908 651938685 /nfs/dbraw/zinc/93/86/85/651938685.db2.gz UHODPSBCPACMDU-SECBINFHSA-N 1 0 378.420 2.399 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000617348064 651939923 /nfs/dbraw/zinc/93/99/23/651939923.db2.gz ZBZATIRXFDIXCL-GFCCVEGCSA-N 1 0 396.289 2.285 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000617354842 651940006 /nfs/dbraw/zinc/94/00/06/651940006.db2.gz DJDZIEJSGSYQBW-CYBMUJFWSA-N 1 0 385.555 2.135 20 0 GEADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)C1 ZINC000573205922 651940955 /nfs/dbraw/zinc/94/09/55/651940955.db2.gz JFUCHJSVKYIWTL-LLVKDONJSA-N 1 0 397.324 2.249 20 0 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CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000576390094 652112537 /nfs/dbraw/zinc/11/25/37/652112537.db2.gz GXWRJRKBLNKCDJ-FVQBIDKESA-N 1 0 399.329 2.425 20 0 GEADRO Cc1cc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc(C)c1Br ZINC000576400839 652114437 /nfs/dbraw/zinc/11/44/37/652114437.db2.gz VXWIADQHTIUAHP-UHFFFAOYSA-N 1 0 389.315 2.171 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000576420062 652115720 /nfs/dbraw/zinc/11/57/20/652115720.db2.gz XAEXENZBJWDEIZ-KGLIPLIRSA-N 1 0 387.571 2.042 20 0 GEADRO CN(C(=O)c1ccc(Br)nc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000746603127 652116790 /nfs/dbraw/zinc/11/67/90/652116790.db2.gz HUBDOWWXPOJBPD-OAHLLOKOSA-N 1 0 381.318 2.085 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2cccc(Br)c2)C[C@H]1[NH+](C)C ZINC000576538629 652125653 /nfs/dbraw/zinc/12/56/53/652125653.db2.gz LLSRBOVUXSFJAE-KGLIPLIRSA-N 1 0 393.372 2.256 20 0 GEADRO CCN(CCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)CC(F)(F)F ZINC000576691702 652137152 /nfs/dbraw/zinc/13/71/52/652137152.db2.gz AJDNOHQBEWHTNF-AWEZNQCLSA-N 1 0 385.496 2.055 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cnn(CC(F)(F)F)c1 ZINC000657161377 652140209 /nfs/dbraw/zinc/14/02/09/652140209.db2.gz OVOXBALNSQVRPH-GFCCVEGCSA-N 1 0 380.436 2.131 20 0 GEADRO COc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Br)cn1 ZINC000621271401 652140353 /nfs/dbraw/zinc/14/03/53/652140353.db2.gz GRBCHEWGDHOZAW-WMLDXEAASA-N 1 0 397.361 2.311 20 0 GEADRO COc1cc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(Br)cn1 ZINC000621266972 652140422 /nfs/dbraw/zinc/14/04/22/652140422.db2.gz HYBYCUHXBJJISQ-HNNXBMFYSA-N 1 0 383.334 2.065 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(N)ccc2Br)CC1 ZINC000747105344 652141280 /nfs/dbraw/zinc/14/12/80/652141280.db2.gz YBHXEMAYQMNEAL-UHFFFAOYSA-N 1 0 398.301 2.177 20 0 GEADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000576744056 652141849 /nfs/dbraw/zinc/14/18/49/652141849.db2.gz VAZBCHNCBBXFSV-UHFFFAOYSA-N 1 0 388.212 2.020 20 0 GEADRO O[C@@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1ccc(Br)cc1 ZINC000576746978 652141949 /nfs/dbraw/zinc/14/19/49/652141949.db2.gz NHFSLKIHSFQWOG-AWEZNQCLSA-N 1 0 398.326 2.323 20 0 GEADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000576762497 652143316 /nfs/dbraw/zinc/14/33/16/652143316.db2.gz DDTZVCDZXKHENK-AWEZNQCLSA-N 1 0 387.571 2.381 20 0 GEADRO O=S(=O)(CC[NH2+]CCc1cnc2c(Cl)cnn2c1)c1ccc(F)cc1 ZINC000576816864 652144661 /nfs/dbraw/zinc/14/46/61/652144661.db2.gz NKPYALQSCIHAEC-UHFFFAOYSA-N 1 0 382.848 2.128 20 0 GEADRO COC(=O)[C@@H](NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(C)C ZINC000576862204 652148972 /nfs/dbraw/zinc/14/89/72/652148972.db2.gz GTAGLLVGSOPYPU-JKSUJKDBSA-N 1 0 398.301 2.199 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1=Cc2cc(Br)ccc2OC1 ZINC000747231667 652150443 /nfs/dbraw/zinc/15/04/43/652150443.db2.gz KXKRMDGOMFKVFD-HZPDHXFCSA-N 1 0 393.281 2.204 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c(Cl)cc1Cl ZINC000747277653 652155007 /nfs/dbraw/zinc/15/50/07/652155007.db2.gz CYHNRUHRCMDKTM-VIFPVBQESA-N 1 0 383.297 2.399 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)Cc1ccccc1)c1cccc(Br)c1 ZINC000576944107 652157537 /nfs/dbraw/zinc/15/75/37/652157537.db2.gz UCGPMXADNRDMGY-MRXNPFEDSA-N 1 0 398.322 2.416 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000576967946 652159526 /nfs/dbraw/zinc/15/95/26/652159526.db2.gz HRVYKGDJZMKIQW-GJZGRUSLSA-N 1 0 386.901 2.422 20 0 GEADRO O=C1NCCC[C@@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000657284832 652160430 /nfs/dbraw/zinc/16/04/30/652160430.db2.gz WMDHAIDUDIXQRN-MRVPVSSYSA-N 1 0 377.080 2.222 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNCc2c(F)cncc2Br)CC1 ZINC000657331995 652160751 /nfs/dbraw/zinc/16/07/51/652160751.db2.gz BLEXAHMKQUMAEX-UHFFFAOYSA-N 1 0 394.292 2.420 20 0 GEADRO Cn1ncc(C2CCC2)c1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000657333075 652160903 /nfs/dbraw/zinc/16/09/03/652160903.db2.gz YHMPBAUISKLNBS-UHFFFAOYSA-N 1 0 382.917 2.409 20 0 GEADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000657431098 652163872 /nfs/dbraw/zinc/16/38/72/652163872.db2.gz DQGXZVAELQPCLX-OAHLLOKOSA-N 1 0 392.301 2.167 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657511034 652167726 /nfs/dbraw/zinc/16/77/26/652167726.db2.gz OIOZIGSLBGPCDW-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000657531568 652170646 /nfs/dbraw/zinc/17/06/46/652170646.db2.gz LWNVUDWXLUTBLK-VIFPVBQESA-N 1 0 376.682 2.416 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3cc4ccc(Br)cc4[nH]3)C[C@H]2[NH3+])cn1 ZINC000577228129 652171838 /nfs/dbraw/zinc/17/18/38/652171838.db2.gz ZURWWGYSDBKWPN-UONOGXRCSA-N 1 0 388.269 2.231 20 0 GEADRO Cn1cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c(C(F)F)n1 ZINC000657563221 652173265 /nfs/dbraw/zinc/17/32/65/652173265.db2.gz IXTLANRWYAJRON-UHFFFAOYSA-N 1 0 388.216 2.035 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=S)NCc2ccc(Br)cc2)CC1 ZINC000747653618 652173564 /nfs/dbraw/zinc/17/35/64/652173564.db2.gz UJZPDINPFFEDDV-OAHLLOKOSA-N 1 0 386.359 2.212 20 0 GEADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000657565165 652174201 /nfs/dbraw/zinc/17/42/01/652174201.db2.gz IAAMNGWHRVJDMF-UHFFFAOYSA-N 1 0 390.228 2.218 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)cc21 ZINC000622014782 652175153 /nfs/dbraw/zinc/17/51/53/652175153.db2.gz KMPSQZDZHNLRMC-MEDUHNTESA-N 1 0 398.326 2.443 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CCOc1ccccc1Br)C2=O ZINC000577278154 652176437 /nfs/dbraw/zinc/17/64/37/652176437.db2.gz UPLIEIYUFOXEKN-SJKOYZFVSA-N 1 0 396.285 2.267 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622026797 652177125 /nfs/dbraw/zinc/17/71/25/652177125.db2.gz RQXQRXNZDUNLFZ-KBXCAEBGSA-N 1 0 394.313 2.137 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028677 652177197 /nfs/dbraw/zinc/17/71/97/652177197.db2.gz UQDSXCDBZFEQAE-KDOFPFPSSA-N 1 0 394.313 2.056 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)c1ccc(Br)cc1 ZINC000577356232 652181256 /nfs/dbraw/zinc/18/12/56/652181256.db2.gz HHUHKVMIPMYEHU-IUIKQTSFSA-N 1 0 382.302 2.355 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC[C@H](C)S(=O)(=O)C3)cnc12 ZINC000657640014 652183754 /nfs/dbraw/zinc/18/37/54/652183754.db2.gz UREMNIOQTQRMCT-WCQYABFASA-N 1 0 386.315 2.461 20 0 GEADRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCn1cc(Br)cn1 ZINC000577398007 652184477 /nfs/dbraw/zinc/18/44/77/652184477.db2.gz BEKSVZQZFMFLRX-LBPRGKRZSA-N 1 0 391.269 2.310 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657650697 652185748 /nfs/dbraw/zinc/18/57/48/652185748.db2.gz RRGHDBFVOQGATE-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(SC)ccc1Cl ZINC000657651347 652185899 /nfs/dbraw/zinc/18/58/99/652185899.db2.gz ADLBCGAIGKMYOF-LBPRGKRZSA-N 1 0 385.917 2.227 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000657651186 652185931 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Cc1c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000577609655 652201504 /nfs/dbraw/zinc/20/15/04/652201504.db2.gz GQNTUMATWWNJCE-KBPBESRZSA-N 1 0 380.901 2.064 20 0 GEADRO FC(F)(F)c1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)ncc1Br ZINC000577610877 652201526 /nfs/dbraw/zinc/20/15/26/652201526.db2.gz YZVUFUOCXICZQU-SNVBAGLBSA-N 1 0 379.224 2.347 20 0 GEADRO Cn1ncc(Br)c1CNC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000657801443 652207086 /nfs/dbraw/zinc/20/70/86/652207086.db2.gz RULJSMJNOYERHT-MRXNPFEDSA-N 1 0 392.345 2.088 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657849640 652210516 /nfs/dbraw/zinc/21/05/16/652210516.db2.gz LBEXOOQBQIQBOW-UHFFFAOYSA-N 1 0 392.244 2.466 20 0 GEADRO [NH3+]C1CCC(OCC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000577727042 652211021 /nfs/dbraw/zinc/21/10/21/652211021.db2.gz UMCOAONAWDIZNI-CKDBGZEDSA-N 1 0 396.329 2.431 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748708506 652213422 /nfs/dbraw/zinc/21/34/22/652213422.db2.gz DAHWPGRUSYSXNA-UHFFFAOYSA-N 1 0 387.933 2.148 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657927327 652217281 /nfs/dbraw/zinc/21/72/81/652217281.db2.gz RTCYLZFGKJEDQH-UHFFFAOYSA-N 1 0 386.265 2.471 20 0 GEADRO O=C(CN[C@@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000577839689 652220163 /nfs/dbraw/zinc/22/01/63/652220163.db2.gz IJBKNKHOUPXINR-QGZVFWFLSA-N 1 0 378.270 2.153 20 0 GEADRO C[C@@H]1CC2(CN1C(=O)c1nc3ccc(Br)cn3n1)CC[NH2+]CC2 ZINC000623072893 652222531 /nfs/dbraw/zinc/22/25/31/652222531.db2.gz TUWWELRSLQBNFV-LLVKDONJSA-N 1 0 378.274 2.096 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000577852083 652222811 /nfs/dbraw/zinc/22/28/11/652222811.db2.gz VYIPVJGERHTUOJ-CHWSQXEVSA-N 1 0 381.523 2.082 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000657981709 652225827 /nfs/dbraw/zinc/22/58/27/652225827.db2.gz RJHIYXAENUTTQB-OAHLLOKOSA-N 1 0 375.332 2.251 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC000577996833 652234293 /nfs/dbraw/zinc/23/42/93/652234293.db2.gz AGSLLYDJXCUBBU-BETUJISGSA-N 1 0 380.286 2.154 20 0 GEADRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658060878 652234853 /nfs/dbraw/zinc/23/48/53/652234853.db2.gz YGBBEOGCENCOEX-MWLCHTKSSA-N 1 0 377.304 2.315 20 0 GEADRO CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658072437 652235068 /nfs/dbraw/zinc/23/50/68/652235068.db2.gz OAAWWHZGMOGDCZ-BPUTZDHNSA-N 1 0 390.933 2.340 20 0 GEADRO CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658072439 652235162 /nfs/dbraw/zinc/23/51/62/652235162.db2.gz OAAWWHZGMOGDCZ-KBMXLJTQSA-N 1 0 390.933 2.340 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1ccsc1C(F)(F)F)NC[C@H]1CCCCO1 ZINC000623413728 652235738 /nfs/dbraw/zinc/23/57/38/652235738.db2.gz FRAKNSZKHCXWGU-GFCCVEGCSA-N 1 0 386.461 2.345 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000578009210 652235743 /nfs/dbraw/zinc/23/57/43/652235743.db2.gz LWINPAXGCOXQGH-IUODEOHRSA-N 1 0 392.301 2.154 20 0 GEADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cc2n(n1)CCCC2 ZINC000658095893 652236275 /nfs/dbraw/zinc/23/62/75/652236275.db2.gz NBHJUTKZTTXFFS-GFCCVEGCSA-N 1 0 392.301 2.458 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1Br ZINC000658124239 652238583 /nfs/dbraw/zinc/23/85/83/652238583.db2.gz FMPFGEIQEDDYQS-NSHDSACASA-N 1 0 383.290 2.080 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658149395 652239675 /nfs/dbraw/zinc/23/96/75/652239675.db2.gz SWXBPSADVVOLCC-BLLLJJGKSA-N 1 0 376.266 2.277 20 0 GEADRO Cc1cc(NC(=O)CC[NH2+][C@@H]2CCN(c3ccccc3Br)C2)no1 ZINC000578064784 652240071 /nfs/dbraw/zinc/24/00/71/652240071.db2.gz URNBBPRPEUBELI-CYBMUJFWSA-N 1 0 393.285 2.943 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCc2nnnn2CC1 ZINC000578062077 652240299 /nfs/dbraw/zinc/24/02/99/652240299.db2.gz UQLNKLDOWAIHRG-RISCZKNCSA-N 1 0 393.289 2.147 20 0 GEADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000658209824 652243425 /nfs/dbraw/zinc/24/34/25/652243425.db2.gz XPHZKRVNOCJIMM-AWEZNQCLSA-N 1 0 388.555 2.456 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000749287839 652244184 /nfs/dbraw/zinc/24/41/84/652244184.db2.gz QJDYWMIROZPNLB-RBSFLKMASA-N 1 0 388.965 2.167 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000578122083 652245344 /nfs/dbraw/zinc/24/53/44/652245344.db2.gz PLGFYHKZANUQTP-ZIAGYGMSSA-N 1 0 387.311 2.250 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000623542866 652245851 /nfs/dbraw/zinc/24/58/51/652245851.db2.gz VDHFEHRVBZOPPV-CGTJXYLNSA-N 1 0 392.341 2.041 20 0 GEADRO O=c1c2c(ncn1Cc1cc(Br)cc3cccnc31)CC[NH2+]CC2 ZINC000578130190 652246743 /nfs/dbraw/zinc/24/67/43/652246743.db2.gz WCOITQXLLYZQJK-UHFFFAOYSA-N 1 0 385.265 2.291 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000749334967 652247235 /nfs/dbraw/zinc/24/72/35/652247235.db2.gz KUWYCYRIBLRZJN-UHFFFAOYSA-N 1 0 393.289 2.027 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658264673 652248176 /nfs/dbraw/zinc/24/81/76/652248176.db2.gz LKZFQFMXQNWVJN-GFCCVEGCSA-N 1 0 383.290 2.080 20 0 GEADRO CCC[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)OCC ZINC000623600039 652248969 /nfs/dbraw/zinc/24/89/69/652248969.db2.gz YLVURUSCZQEGHQ-GFCCVEGCSA-N 1 0 379.320 2.391 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1ccsc1Br ZINC000623616811 652249434 /nfs/dbraw/zinc/24/94/34/652249434.db2.gz GAJOTMVZEMTCGS-HNNXBMFYSA-N 1 0 375.332 2.216 20 0 GEADRO Fc1cccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1Br ZINC000623651869 652252060 /nfs/dbraw/zinc/25/20/60/652252060.db2.gz XVAWNWANFZKZHQ-GFCCVEGCSA-N 1 0 391.248 2.394 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OC(F)F ZINC000623670414 652252877 /nfs/dbraw/zinc/25/28/77/652252877.db2.gz PNTYQNSYKDCXFD-CHWSQXEVSA-N 1 0 378.441 2.247 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(F)cc(Br)c1F)[C@H]1CC[N@H+](C)C1 ZINC000658359473 652255295 /nfs/dbraw/zinc/25/52/95/652255295.db2.gz BHVFUTHEAAWERH-JTQLQIEISA-N 1 0 390.228 2.218 20 0 GEADRO CC(C)OC[C@@H](O)C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000578237195 652256202 /nfs/dbraw/zinc/25/62/02/652256202.db2.gz CXZWQCYPWWLDKE-DOMZBBRYSA-N 1 0 378.282 2.115 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH2+]C)C1 ZINC000658362988 652256475 /nfs/dbraw/zinc/25/64/75/652256475.db2.gz KMMVRFMLXLNNJM-LBPRGKRZSA-N 1 0 377.304 2.220 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N(CC)[C@H]2CC[N@H+](C)C2)cc1Br ZINC000658362055 652256540 /nfs/dbraw/zinc/25/65/40/652256540.db2.gz RQBZLWWWKDDFDE-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000658369613 652258637 /nfs/dbraw/zinc/25/86/37/652258637.db2.gz YIOKUBJYFIHIKF-LBPRGKRZSA-N 1 0 379.320 2.500 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000578315985 652261361 /nfs/dbraw/zinc/26/13/61/652261361.db2.gz ITQIHPAYVSLQQA-KBPBESRZSA-N 1 0 385.302 2.322 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)CCc3ccccc3Cl)CC2)C1 ZINC000658382455 652261770 /nfs/dbraw/zinc/26/17/70/652261770.db2.gz JVJSSEITHMWGBT-FUHWJXTLSA-N 1 0 386.945 2.431 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000658382474 652261830 /nfs/dbraw/zinc/26/18/30/652261830.db2.gz LVFWYGSYLFUGMA-VHSXEESVSA-N 1 0 395.294 2.202 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)Cc1cc(F)ccc1Br)C2 ZINC000658383486 652262716 /nfs/dbraw/zinc/26/27/16/652262716.db2.gz IPBKPUQBSKOYHP-WFASDCNBSA-N 1 0 391.306 2.479 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1Cl ZINC000658383368 652262875 /nfs/dbraw/zinc/26/28/75/652262875.db2.gz GRIQSMYUQIHRPS-XGWLTEMNSA-N 1 0 388.917 2.398 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000658402978 652265778 /nfs/dbraw/zinc/26/57/78/652265778.db2.gz WIZINXGBCPIADZ-NSHDSACASA-N 1 0 389.880 2.391 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000624044981 652267142 /nfs/dbraw/zinc/26/71/42/652267142.db2.gz KIVPSJDPSKBZDI-HZPDHXFCSA-N 1 0 394.313 2.264 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCC12CC(C1)C[NH2+]2 ZINC000658407552 652267412 /nfs/dbraw/zinc/26/74/12/652267412.db2.gz VQVGEAKCUBUVGR-UHFFFAOYSA-N 1 0 379.707 2.274 20 0 GEADRO COc1cc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)c(OC)cc1Br ZINC000658407228 652267565 /nfs/dbraw/zinc/26/75/65/652267565.db2.gz ZPQQORZHQFOVQB-LLVKDONJSA-N 1 0 395.319 2.118 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Br)c2ncccc12)[NH+](C)C ZINC000658425748 652269761 /nfs/dbraw/zinc/26/97/61/652269761.db2.gz FVILSGAYCUHEEH-NSHDSACASA-N 1 0 393.285 2.392 20 0 GEADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NCCN(C)CCC[NH+](C)C ZINC000658427059 652270619 /nfs/dbraw/zinc/27/06/19/652270619.db2.gz FUBZABQKCWQUCI-UHFFFAOYSA-N 1 0 386.949 2.000 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000624118263 652271366 /nfs/dbraw/zinc/27/13/66/652271366.db2.gz CVQAAAJZUQXGSZ-RCCFBDPRSA-N 1 0 386.945 2.491 20 0 GEADRO C[C@@]1(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCC[NH2+]C1 ZINC000578435035 652272630 /nfs/dbraw/zinc/27/26/30/652272630.db2.gz HSQWBUODGGIIRI-FZKQIMNGSA-N 1 0 394.313 2.308 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000578442796 652272988 /nfs/dbraw/zinc/27/29/88/652272988.db2.gz INECEBLCCGAZRI-QMTHXVAHSA-N 1 0 397.324 2.295 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000578442365 652273191 /nfs/dbraw/zinc/27/31/91/652273191.db2.gz MYDBJJLEYQCCJV-OAHLLOKOSA-N 1 0 382.302 2.155 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000578446874 652273824 /nfs/dbraw/zinc/27/38/24/652273824.db2.gz IJKGFFMZCJPRJE-SECBINFHSA-N 1 0 394.686 2.422 20 0 GEADRO Cc1c([C@@H](C)[NH2+]C[C@@H]2COCCN2C)nnn1-c1cccc(Br)c1 ZINC000624172853 652274652 /nfs/dbraw/zinc/27/46/52/652274652.db2.gz VOTMBOXGIRSYRE-MLGOLLRUSA-N 1 0 394.317 2.319 20 0 GEADRO NC(=O)C[C@H]([NH2+]Cc1nc2cc(Br)ccc2o1)C1CCOCC1 ZINC000578611550 652282458 /nfs/dbraw/zinc/28/24/58/652282458.db2.gz MNVUOTFMOJFBCD-LBPRGKRZSA-N 1 0 382.258 2.351 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000578650622 652285631 /nfs/dbraw/zinc/28/56/31/652285631.db2.gz AKEDQFKGLRDSID-QWRGUYRKSA-N 1 0 377.869 2.233 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000658540887 652285553 /nfs/dbraw/zinc/28/55/53/652285553.db2.gz DMHWTEDRJVXKFS-CYBMUJFWSA-N 1 0 377.794 2.080 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCOCC1 ZINC000624386668 652286599 /nfs/dbraw/zinc/28/65/99/652286599.db2.gz SPEVLIFIYHHFCK-UHFFFAOYSA-N 1 0 387.914 2.250 20 0 GEADRO CCN(Cc1ccccc1)S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624390891 652287090 /nfs/dbraw/zinc/28/70/90/652287090.db2.gz KYODVRVHWYGRQK-CABCVRRESA-N 1 0 379.448 2.212 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)c1 ZINC000624390640 652287183 /nfs/dbraw/zinc/28/71/83/652287183.db2.gz FJCRARKFNVMGJU-TZMCWYRMSA-N 1 0 380.432 2.460 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000624390737 652287220 /nfs/dbraw/zinc/28/72/20/652287220.db2.gz HPAFUAKAASHWHG-KOLCDFICSA-N 1 0 386.823 2.496 20 0 GEADRO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624391040 652287627 /nfs/dbraw/zinc/28/76/27/652287627.db2.gz ONEUMHBTAHZSDT-STQMWFEESA-N 1 0 382.452 2.229 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000624392104 652288981 /nfs/dbraw/zinc/28/89/81/652288981.db2.gz JFJOKDCHTVSHQV-MWLCHTKSSA-N 1 0 386.823 2.496 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000624392103 652289062 /nfs/dbraw/zinc/28/90/62/652289062.db2.gz JFJOKDCHTVSHQV-KOLCDFICSA-N 1 0 386.823 2.496 20 0 GEADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000624396120 652290579 /nfs/dbraw/zinc/29/05/79/652290579.db2.gz 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[NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000578864477 652300143 /nfs/dbraw/zinc/30/01/43/652300143.db2.gz HSZVYNYDQGVISN-YPMHNXCESA-N 1 0 384.933 2.418 20 0 GEADRO CO[C@@H](C[NH3+])C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000578878839 652301546 /nfs/dbraw/zinc/30/15/46/652301546.db2.gz IVLUHIYDPGHXMR-VIFPVBQESA-N 1 0 375.223 2.019 20 0 GEADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@H]1CCC(=O)N1 ZINC000624762850 652301761 /nfs/dbraw/zinc/30/17/61/652301761.db2.gz KIYPNSXPYKHRQG-XJKSGUPXSA-N 1 0 396.329 2.254 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000578891249 652301968 /nfs/dbraw/zinc/30/19/68/652301968.db2.gz KQGSXLWNFNQWTE-LLVKDONJSA-N 1 0 397.324 2.297 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000578924986 652304085 /nfs/dbraw/zinc/30/40/85/652304085.db2.gz RVXMPYDTDXNVGD-UHFFFAOYSA-N 1 0 379.979 2.191 20 0 GEADRO CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000578970890 652307950 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CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2c(C)ccc(F)c2Br)C1 ZINC000658786103 652314048 /nfs/dbraw/zinc/31/40/48/652314048.db2.gz YUZAWSVNMLHKEH-LLVKDONJSA-N 1 0 386.265 2.436 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000624964395 652315995 /nfs/dbraw/zinc/31/59/95/652315995.db2.gz NECOUXBGCPCVKV-UHFFFAOYSA-N 1 0 382.452 2.373 20 0 GEADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000658829417 652317826 /nfs/dbraw/zinc/31/78/26/652317826.db2.gz KTQRHOGOLBDBKQ-INIZCTEOSA-N 1 0 396.329 2.350 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000579212797 652325323 /nfs/dbraw/zinc/32/53/23/652325323.db2.gz GKKNIPVMHQAIKY-PHIMTYICSA-N 1 0 386.677 2.394 20 0 GEADRO COc1ncccc1CC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000579223570 652326002 /nfs/dbraw/zinc/32/60/02/652326002.db2.gz BIIVGTDHMSKIKE-HNNXBMFYSA-N 1 0 381.270 2.425 20 0 GEADRO C[C@@H]([NH3+])CCC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000579227912 652326768 /nfs/dbraw/zinc/32/67/68/652326768.db2.gz MUSOOCXKSMFDJD-LLVKDONJSA-N 1 0 381.274 2.371 20 0 GEADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000579225024 652326806 /nfs/dbraw/zinc/32/68/06/652326806.db2.gz VTYZLXUTQOIZCY-JQWIXIFHSA-N 1 0 376.810 2.400 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000579235552 652327274 /nfs/dbraw/zinc/32/72/74/652327274.db2.gz TVTJRHIBQWDCIX-NEPJUHHUSA-N 1 0 389.363 2.464 20 0 GEADRO C[C@@H](O)C[N@H+](CCO)CCOc1c(Br)cccc1Br ZINC000579289660 652330818 /nfs/dbraw/zinc/33/08/18/652330818.db2.gz CNAHBWNNBJQBAN-SNVBAGLBSA-N 1 0 397.107 2.266 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)C2 ZINC000658913304 652331665 /nfs/dbraw/zinc/33/16/65/652331665.db2.gz WPZWWAMDNWNCSP-AWEZNQCLSA-N 1 0 394.313 2.152 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000579333699 652331807 /nfs/dbraw/zinc/33/18/07/652331807.db2.gz WHDMZDSHKOGWJP-BLLLJJGKSA-N 1 0 395.345 2.275 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)cs1 ZINC000658950455 652333786 /nfs/dbraw/zinc/33/37/86/652333786.db2.gz WTTNPPRFEGACKO-HUUCEWRRSA-N 1 0 382.482 2.248 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000659025022 652337923 /nfs/dbraw/zinc/33/79/23/652337923.db2.gz MJCNIXLQYXKHHO-RYUDHWBXSA-N 1 0 396.207 2.422 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000579454258 652339189 /nfs/dbraw/zinc/33/91/89/652339189.db2.gz FWAYXSJKGQCBFE-ZDUSSCGKSA-N 1 0 396.329 2.040 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000579465148 652339702 /nfs/dbraw/zinc/33/97/02/652339702.db2.gz MIGMNRUAHITILI-HNNXBMFYSA-N 1 0 387.860 2.282 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)COc2cccc(I)c2)CC1 ZINC000579471411 652340244 /nfs/dbraw/zinc/34/02/44/652340244.db2.gz YAVBHIDLVWRKGP-NSHDSACASA-N 1 0 388.249 2.256 20 0 GEADRO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c2cc(Br)ccc21 ZINC000659085053 652341454 /nfs/dbraw/zinc/34/14/54/652341454.db2.gz CSSZAAVVFPJYIR-CHWSQXEVSA-N 1 0 394.313 2.459 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000659082351 652341632 /nfs/dbraw/zinc/34/16/32/652341632.db2.gz MDLFGOKLZSUAKX-VXGBXAGGSA-N 1 0 394.313 2.269 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(Cl)cc1Br ZINC000659088519 652342396 /nfs/dbraw/zinc/34/23/96/652342396.db2.gz KJRVPCWHUWXLDE-SFYZADRCSA-N 1 0 392.681 2.292 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1F)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000659088385 652342421 /nfs/dbraw/zinc/34/24/21/652342421.db2.gz IMJWZLWXYRABPT-UHFFFAOYSA-N 1 0 388.212 2.020 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H](C)CCC[NH3+])c(Cl)cc1Br ZINC000659087493 652342481 /nfs/dbraw/zinc/34/24/81/652342481.db2.gz SRJFCYPOQKSFCZ-QMMMGPOBSA-N 1 0 392.681 2.293 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCCC1 ZINC000659097588 652342938 /nfs/dbraw/zinc/34/29/38/652342938.db2.gz AWXPGPCURNIKJQ-UHFFFAOYSA-N 1 0 376.201 2.054 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000659092464 652343031 /nfs/dbraw/zinc/34/30/31/652343031.db2.gz QOHJRWBYCMOSBE-UHFFFAOYSA-N 1 0 379.258 2.132 20 0 GEADRO COc1ccc(Br)cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000579557508 652343183 /nfs/dbraw/zinc/34/31/83/652343183.db2.gz WFWPVPKYJCGVLB-UHFFFAOYSA-N 1 0 396.329 2.311 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000659104563 652344036 /nfs/dbraw/zinc/34/40/36/652344036.db2.gz MTCMJPVCBQHQNX-UHFFFAOYSA-N 1 0 377.750 2.045 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000579568270 652344207 /nfs/dbraw/zinc/34/42/07/652344207.db2.gz LLKMYWIGSGJXKN-SNVBAGLBSA-N 1 0 391.697 2.136 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000659114379 652345007 /nfs/dbraw/zinc/34/50/07/652345007.db2.gz WEOGEDZCGBOVCW-ZETCQYMHSA-N 1 0 382.180 2.131 20 0 GEADRO O=C(c1ccc(Br)c(F)c1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000625339545 652345271 /nfs/dbraw/zinc/34/52/71/652345271.db2.gz XFAQNYDUBNNWHY-CHWSQXEVSA-N 1 0 389.240 2.399 20 0 GEADRO CC(=O)N[C@H](C)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000579603138 652346868 /nfs/dbraw/zinc/34/68/68/652346868.db2.gz IBZROAVUKYDQEA-CYBMUJFWSA-N 1 0 396.329 2.397 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000625529589 652352623 /nfs/dbraw/zinc/35/26/23/652352623.db2.gz NWLONMMIURZMAV-MLGOLLRUSA-N 1 0 390.285 2.316 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000625548312 652354333 /nfs/dbraw/zinc/35/43/33/652354333.db2.gz BHVXABHSNRDHLD-CGTJXYLNSA-N 1 0 392.341 2.089 20 0 GEADRO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000659354378 652354609 /nfs/dbraw/zinc/35/46/09/652354609.db2.gz LLLOTVAZTPJDFO-ZIAGYGMSSA-N 1 0 382.482 2.166 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000659369314 652355500 /nfs/dbraw/zinc/35/55/00/652355500.db2.gz PGLROLPPDBUZOA-GJZGRUSLSA-N 1 0 385.327 2.444 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2cc(O)cc(Br)c2)CC1 ZINC000625555645 652355665 /nfs/dbraw/zinc/35/56/65/652355665.db2.gz WDNPMHSOCUCLNH-UHFFFAOYSA-N 1 0 384.318 2.302 20 0 GEADRO O=C(COC1CC[NH2+]CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000579822395 652355767 /nfs/dbraw/zinc/35/57/67/652355767.db2.gz HNPGXUQCQIEGTQ-INIZCTEOSA-N 1 0 383.286 2.118 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2=O)ccc1Br ZINC000659391204 652356435 /nfs/dbraw/zinc/35/64/35/652356435.db2.gz PYAKIJVWYPLTHB-KCPJHIHWSA-N 1 0 398.276 2.008 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000659453593 652358177 /nfs/dbraw/zinc/35/81/77/652358177.db2.gz OKDOZLITAQVEGB-UIORMTCPSA-N 1 0 379.302 2.161 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659447471 652358322 /nfs/dbraw/zinc/35/83/22/652358322.db2.gz OZBIHQSQHSIAOJ-UHFFFAOYSA-N 1 0 395.301 2.219 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000659457376 652358741 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CC(C)[C@H]([NH3+])CCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000659622038 652361675 /nfs/dbraw/zinc/36/16/75/652361675.db2.gz MPGRZBCKUJRPKK-CABCVRRESA-N 1 0 397.317 2.005 20 0 GEADRO CC[C@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)c1nc(C(F)(F)F)cs1 ZINC000659682636 652362983 /nfs/dbraw/zinc/36/29/83/652362983.db2.gz MENTYLCCKOXHGT-VIFPVBQESA-N 1 0 378.420 2.117 20 0 GEADRO CC[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])Cc1cccc(Br)c1 ZINC000659697073 652363853 /nfs/dbraw/zinc/36/38/53/652363853.db2.gz SMLZELCRGRFBNF-ZDUSSCGKSA-N 1 0 398.345 2.330 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1c(Cl)cccc1Cl ZINC000659699850 652363875 /nfs/dbraw/zinc/36/38/75/652363875.db2.gz VWFXOGDNYIHZDN-ZWKOPEQDSA-N 1 0 376.259 2.111 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000659757788 652364878 /nfs/dbraw/zinc/36/48/78/652364878.db2.gz WOMRZEPNGOLTAI-XJKSGUPXSA-N 1 0 396.329 2.097 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(Br)cc2c1OCC2)COC1CCOCC1 ZINC000580066115 652365542 /nfs/dbraw/zinc/36/55/42/652365542.db2.gz MYQNRFNMFHDBIH-OAHLLOKOSA-N 1 0 386.286 2.030 20 0 GEADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000580093969 652366639 /nfs/dbraw/zinc/36/66/39/652366639.db2.gz KENGBTLOTLWUCK-JTQLQIEISA-N 1 0 390.709 2.207 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000580194575 652370106 /nfs/dbraw/zinc/37/01/06/652370106.db2.gz UKNJVYUDIBOJTH-QWHCGFSZSA-N 1 0 386.901 2.137 20 0 GEADRO Cn1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1=O ZINC000625794687 652370691 /nfs/dbraw/zinc/37/06/91/652370691.db2.gz LQHWZEUQGZRLMZ-GOSISDBHSA-N 1 0 377.282 2.157 20 0 GEADRO OC[C@@]1([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)CCc2cc(Br)ccc2C1 ZINC000625797188 652371750 /nfs/dbraw/zinc/37/17/50/652371750.db2.gz RVQAEFLXTMJJFL-CEXWTWQISA-N 1 0 395.341 2.122 20 0 GEADRO OC[C@]1([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)CCc2cc(Br)ccc2C1 ZINC000625797189 652371882 /nfs/dbraw/zinc/37/18/82/652371882.db2.gz RVQAEFLXTMJJFL-OTWHNJEPSA-N 1 0 395.341 2.122 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C2 ZINC000625863333 652373777 /nfs/dbraw/zinc/37/37/77/652373777.db2.gz QLYTUMLUGRPOJG-IYBDPMFKSA-N 1 0 386.905 2.175 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580298928 652374751 /nfs/dbraw/zinc/37/47/51/652374751.db2.gz MFXRXTHSVGMTNJ-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000625884579 652374894 /nfs/dbraw/zinc/37/48/94/652374894.db2.gz ZFMDCQCFNACQDR-NWDGAFQWSA-N 1 0 379.262 2.292 20 0 GEADRO C[C@]1(CO)C[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@@]1(C)CO ZINC000625973638 652377542 /nfs/dbraw/zinc/37/75/42/652377542.db2.gz IAJAHUXXZMQUHA-NXHRZFHOSA-N 1 0 397.313 2.015 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)CN1CC[NH+](CCCF)CC1 ZINC000626070563 652381599 /nfs/dbraw/zinc/38/15/99/652381599.db2.gz SXBQSJQWKVTIKR-OAHLLOKOSA-N 1 0 393.272 2.305 20 0 GEADRO CC[NH2+]CCCNC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000580539832 652382564 /nfs/dbraw/zinc/38/25/64/652382564.db2.gz VOSCLTSCBCZGBI-HNNXBMFYSA-N 1 0 397.317 2.162 20 0 GEADRO Cn1c(Cl)nc(Cl)c1C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000752260321 652383041 /nfs/dbraw/zinc/38/30/41/652383041.db2.gz MPHDPWSGDJEMOL-UHFFFAOYSA-N 1 0 388.299 2.461 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580552307 652383137 /nfs/dbraw/zinc/38/31/37/652383137.db2.gz IOSXWYDMMQKHOE-GOSISDBHSA-N 1 0 395.297 2.365 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660091512 652385504 /nfs/dbraw/zinc/38/55/04/652385504.db2.gz KENXBGZSOBICQR-GFCCVEGCSA-N 1 0 379.309 2.213 20 0 GEADRO CC[NH2+]CCCNS(=O)(=O)c1cnc2sc(C(=O)OCC)c(C)c2c1 ZINC000580714283 652389651 /nfs/dbraw/zinc/38/96/51/652389651.db2.gz PUHQADDLEDIIST-UHFFFAOYSA-N 1 0 385.511 2.059 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CCO1 ZINC000660156001 652390974 /nfs/dbraw/zinc/39/09/74/652390974.db2.gz IULTYOYKLKSWDY-AWEZNQCLSA-N 1 0 378.897 2.352 20 0 GEADRO COc1ncc(Br)cc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000660153609 652391001 /nfs/dbraw/zinc/39/10/01/652391001.db2.gz GGHHHMXHHPCAJH-YOEHRIQHSA-N 1 0 397.361 2.311 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1Cl ZINC000660158070 652391185 /nfs/dbraw/zinc/39/11/85/652391185.db2.gz MJUJRLNYRAQKMP-CYBMUJFWSA-N 1 0 376.906 2.080 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO1 ZINC000660159036 652391701 /nfs/dbraw/zinc/39/17/01/652391701.db2.gz XSZONLYGLSKYQU-NSHDSACASA-N 1 0 386.461 2.498 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CSCCS1)[NH+]1CCOCC1 ZINC000752869880 652394979 /nfs/dbraw/zinc/39/49/79/652394979.db2.gz OWCZMFYJZSYZSM-HZPDHXFCSA-N 1 0 375.604 2.271 20 0 GEADRO C[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000580891983 652395287 /nfs/dbraw/zinc/39/52/87/652395287.db2.gz WOPVTNPOQOQLLV-VIFPVBQESA-N 1 0 379.766 2.340 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cc(F)c(Br)cc1Cl ZINC000626552245 652395344 /nfs/dbraw/zinc/39/53/44/652395344.db2.gz MXUJBGUUKAGCMS-MRVPVSSYSA-N 1 0 380.645 2.430 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000580950536 652398085 /nfs/dbraw/zinc/39/80/85/652398085.db2.gz VWCQQSMQBCRVRU-ZDUSSCGKSA-N 1 0 389.091 2.432 20 0 GEADRO O[C@H](CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(F)(F)F ZINC000580952832 652398394 /nfs/dbraw/zinc/39/83/94/652398394.db2.gz XNLVYFPXUXVERZ-CMPLNLGQSA-N 1 0 390.171 2.231 20 0 GEADRO CCN1CC[C@@H]([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000660490703 652404326 /nfs/dbraw/zinc/40/43/26/652404326.db2.gz XXTCVJXSFQZXBB-WCXIOVBPSA-N 1 0 390.908 2.016 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(SC)c(Br)c1 ZINC000626833410 652405048 /nfs/dbraw/zinc/40/50/48/652405048.db2.gz ZONZEOSQERSRHZ-LLVKDONJSA-N 1 0 386.315 2.320 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626833029 652405151 /nfs/dbraw/zinc/40/51/51/652405151.db2.gz DIOPCDJWRXJNRG-VXGBXAGGSA-N 1 0 392.297 2.023 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)[C@@H](C)C[NH2+]1 ZINC000626834170 652405598 /nfs/dbraw/zinc/40/55/98/652405598.db2.gz MNCHBUVSVMACEY-YUMQZZPRSA-N 1 0 392.656 2.389 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2C)C1 ZINC000581200735 652406330 /nfs/dbraw/zinc/40/63/30/652406330.db2.gz SCOGAZRGBIHSMN-HNNXBMFYSA-N 1 0 396.329 2.316 20 0 GEADRO CSc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000626861145 652406750 /nfs/dbraw/zinc/40/67/50/652406750.db2.gz KURFAMOTZYCFKR-MFKMUULPSA-N 1 0 375.416 2.333 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000626860664 652406826 /nfs/dbraw/zinc/40/68/26/652406826.db2.gz IAMFMNPWXMIMLE-WCBMZHEXSA-N 1 0 381.757 2.403 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000626860901 652406850 /nfs/dbraw/zinc/40/68/50/652406850.db2.gz KIILPBIJDVONSZ-PRHODGIISA-N 1 0 381.757 2.403 20 0 GEADRO CCCc1csc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000626861372 652407034 /nfs/dbraw/zinc/40/70/34/652407034.db2.gz OEICXVZEMWZJEW-MWLCHTKSSA-N 1 0 378.420 2.020 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000626865323 652407366 /nfs/dbraw/zinc/40/73/66/652407366.db2.gz LJOJFPADEBVYPH-NWDGAFQWSA-N 1 0 384.274 2.043 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000626872908 652407371 /nfs/dbraw/zinc/40/73/71/652407371.db2.gz KQDOACQIXHRTCU-UHFFFAOYSA-N 1 0 382.675 2.280 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(I)c(F)c1 ZINC000581250665 652407929 /nfs/dbraw/zinc/40/79/29/652407929.db2.gz SOKJVBPAUBMCQK-JTQLQIEISA-N 1 0 384.139 2.157 20 0 GEADRO C[C@H](C[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1)S(C)(=O)=O ZINC000581246836 652407937 /nfs/dbraw/zinc/40/79/37/652407937.db2.gz GRDGPEHYTCNTMI-SNVBAGLBSA-N 1 0 377.388 2.364 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C[NH2+]1 ZINC000626891768 652408081 /nfs/dbraw/zinc/40/80/81/652408081.db2.gz BSIKLEQIYHLQTP-QWRGUYRKSA-N 1 0 391.269 2.193 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C[NH2+]1 ZINC000626893870 652408430 /nfs/dbraw/zinc/40/84/30/652408430.db2.gz RYXJKFMDSVBRGR-ZWNOBZJWSA-N 1 0 391.269 2.193 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626901436 652409034 /nfs/dbraw/zinc/40/90/34/652409034.db2.gz HPIKRZYURFSDRN-CALCHBBNSA-N 1 0 386.279 2.399 20 0 GEADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)NCC1CC[NH2+]CC1 ZINC000581300068 652409902 /nfs/dbraw/zinc/40/99/02/652409902.db2.gz KTPUGDSHAYFVJJ-UHFFFAOYSA-N 1 0 392.301 2.434 20 0 GEADRO COc1cc(Br)c(Cl)cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000581312196 652410272 /nfs/dbraw/zinc/41/02/72/652410272.db2.gz MOCNNDZMYYULLP-UHFFFAOYSA-N 1 0 390.709 2.088 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000626993340 652410895 /nfs/dbraw/zinc/41/08/95/652410895.db2.gz FTPLDRGTMGTOLL-CYBMUJFWSA-N 1 0 388.306 2.094 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)C1 ZINC000660706737 652411003 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CC[NH+](CC)CCN(C(=O)c1nnn(C)c1C)c1ccc(Br)cn1 ZINC000581432085 652413032 /nfs/dbraw/zinc/41/30/32/652413032.db2.gz JEBIGNOSFPYIPR-UHFFFAOYSA-N 1 0 395.305 2.270 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000581480347 652414852 /nfs/dbraw/zinc/41/48/52/652414852.db2.gz OSBQVFNVRIBFKS-AWEZNQCLSA-N 1 0 394.313 2.356 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCc3c(F)ccc(Br)c3C2)CCOCC1 ZINC000627148335 652415866 /nfs/dbraw/zinc/41/58/66/652415866.db2.gz AIAOIXKZGAOARD-UHFFFAOYSA-N 1 0 386.265 2.164 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CCOCC1 ZINC000627154382 652416199 /nfs/dbraw/zinc/41/61/99/652416199.db2.gz IJCLIXCAFORARJ-OAHLLOKOSA-N 1 0 398.301 2.040 20 0 GEADRO CNC(=O)CCC[N@H+](C)Cn1nc(-c2ccc(Br)cc2)nc1C ZINC000753807673 652416316 /nfs/dbraw/zinc/41/63/16/652416316.db2.gz IDYJTYVGPRAEFT-UHFFFAOYSA-N 1 0 380.290 2.432 20 0 GEADRO [NH3+]CC1(NC(=O)NCc2cc(F)c(Br)cc2F)CCOCC1 ZINC000627180755 652417280 /nfs/dbraw/zinc/41/72/80/652417280.db2.gz 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COc1ccc(Br)cc1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662426530 652460156 /nfs/dbraw/zinc/46/01/56/652460156.db2.gz TXHMVTKJPHJAPB-JTQLQIEISA-N 1 0 379.258 2.188 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000662427295 652460218 /nfs/dbraw/zinc/46/02/18/652460218.db2.gz FBLYDFIABQYUTI-UHFFFAOYSA-N 1 0 399.285 2.190 20 0 GEADRO COCC[NH2+]C1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000582730224 652460946 /nfs/dbraw/zinc/46/09/46/652460946.db2.gz LLPGXTDFJXIGNA-UHFFFAOYSA-N 1 0 380.432 2.236 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662447256 652461352 /nfs/dbraw/zinc/46/13/52/652461352.db2.gz YLAIOZJFJGBBLN-UHFFFAOYSA-N 1 0 395.257 2.308 20 0 GEADRO CN[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000662476690 652463382 /nfs/dbraw/zinc/46/33/82/652463382.db2.gz OLWNPNIEHGTIFV-DYVFJYSZSA-N 1 0 386.323 2.435 20 0 GEADRO O=C(NCCNc1cccc(Br)c1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662514318 652465676 /nfs/dbraw/zinc/46/56/76/652465676.db2.gz MCGMWJWEZUXSDM-NSHDSACASA-N 1 0 378.274 2.091 20 0 GEADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662516679 652465693 /nfs/dbraw/zinc/46/56/93/652465693.db2.gz JXDQPQPRPPRQBN-OAHLLOKOSA-N 1 0 396.329 2.113 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1sc2c(c1Br)CNC2 ZINC000662535122 652466486 /nfs/dbraw/zinc/46/64/86/652466486.db2.gz DQJFFGZVAOYGRY-JTQLQIEISA-N 1 0 390.347 2.200 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662532424 652466512 /nfs/dbraw/zinc/46/65/12/652466512.db2.gz BANXDHSFXAPMOM-CYBMUJFWSA-N 1 0 378.519 2.294 20 0 GEADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)n2)s1 ZINC000582908628 652466741 /nfs/dbraw/zinc/46/67/41/652466741.db2.gz CCGMAPYRNNQWDI-UHFFFAOYSA-N 1 0 381.527 2.278 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000662556155 652468148 /nfs/dbraw/zinc/46/81/48/652468148.db2.gz MMIOLTAKSWGIQG-PWSUYJOCSA-N 1 0 379.201 2.031 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)Cc3ccc(Br)cc3F)C2)nn1 ZINC000662573056 652468381 /nfs/dbraw/zinc/46/83/81/652468381.db2.gz CGNIIBVRMXVOBE-AWEZNQCLSA-N 1 0 396.264 2.045 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)NCc3csc(Br)c3)C2)nn1 ZINC000582954075 652468473 /nfs/dbraw/zinc/46/84/73/652468473.db2.gz PBDHYUOHMMEIMP-LBPRGKRZSA-N 1 0 399.318 2.108 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CCCO1 ZINC000662575320 652468546 /nfs/dbraw/zinc/46/85/46/652468546.db2.gz RJXIPCBGEVXTHM-INIZCTEOSA-N 1 0 382.302 2.239 20 0 GEADRO CCO[C@@H]1CN(C(=O)Cc2c(Cl)cccc2Br)C[C@H]1C[NH3+] ZINC000662581731 652468753 /nfs/dbraw/zinc/46/87/53/652468753.db2.gz IKZQCCWCJYHDHM-QMTHXVAHSA-N 1 0 375.694 2.467 20 0 GEADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000662623638 652469642 /nfs/dbraw/zinc/46/96/42/652469642.db2.gz FQDKBIDOQTWCHA-HZPDHXFCSA-N 1 0 393.285 2.191 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000662657490 652469957 /nfs/dbraw/zinc/46/99/57/652469957.db2.gz SJLIJNYBQHDCNM-BIMULSAOSA-N 1 0 395.257 2.040 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc(F)c1Br ZINC000662695794 652470725 /nfs/dbraw/zinc/47/07/25/652470725.db2.gz OGEQPJFEJDNUDY-LBPRGKRZSA-N 1 0 398.276 2.436 20 0 GEADRO CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662732905 652471966 /nfs/dbraw/zinc/47/19/66/652471966.db2.gz BWQLKVJBXPGENA-UGSOOPFHSA-N 1 0 396.329 2.386 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2SCCc3sccc32)CC1 ZINC000662746159 652472860 /nfs/dbraw/zinc/47/28/60/652472860.db2.gz RFEZYOBZALBRBB-KRWDZBQOSA-N 1 0 381.567 2.185 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCc2cc(Cl)ccc2Br)n1 ZINC000662750604 652473239 /nfs/dbraw/zinc/47/32/39/652473239.db2.gz OXNRYJRAJMFVGK-UHFFFAOYSA-N 1 0 399.676 2.306 20 0 GEADRO N[C@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccccc1Br ZINC000662764531 652473552 /nfs/dbraw/zinc/47/35/52/652473552.db2.gz QKOAFUYDVPFJLD-BZNIZROVSA-N 1 0 375.270 2.299 20 0 GEADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662780117 652474365 /nfs/dbraw/zinc/47/43/65/652474365.db2.gz QGEJBKDBLSKGTF-KFWWJZLASA-N 1 0 380.286 2.180 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1cc(Br)ccc1Br ZINC000662789775 652474672 /nfs/dbraw/zinc/47/46/72/652474672.db2.gz FRRQOAKBFXKNGZ-JQWIXIFHSA-N 1 0 392.091 2.192 20 0 GEADRO O=C(NCCN1CCc2c(Cl)cccc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662810231 652475515 /nfs/dbraw/zinc/47/55/15/652475515.db2.gz OBZDZZFBRMZZGB-INIZCTEOSA-N 1 0 375.822 2.356 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)cc(C)c1Br ZINC000583180230 652475788 /nfs/dbraw/zinc/47/57/88/652475788.db2.gz WKCNFJMEUHJEID-NSHDSACASA-N 1 0 382.302 2.462 20 0 GEADRO CCC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)S(N)(=O)=O ZINC000628969649 652476691 /nfs/dbraw/zinc/47/66/91/652476691.db2.gz XCYIWAIYKJCKQP-KBPBESRZSA-N 1 0 396.340 2.170 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@@]12CCNC2=O)Nc1ccc(Br)cc1F ZINC000583211498 652477339 /nfs/dbraw/zinc/47/73/39/652477339.db2.gz AQSIXBSYAYVWEH-INIZCTEOSA-N 1 0 384.249 2.271 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000755839367 652477782 /nfs/dbraw/zinc/47/77/82/652477782.db2.gz XXHLJURSWRMLIL-CHWSQXEVSA-N 1 0 377.432 2.095 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662926442 652478535 /nfs/dbraw/zinc/47/85/35/652478535.db2.gz OUGVIBDZGRFTES-UHFFFAOYSA-N 1 0 384.318 2.383 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000662922206 652478647 /nfs/dbraw/zinc/47/86/47/652478647.db2.gz HXYZSGLMOGNIHC-OAHLLOKOSA-N 1 0 377.535 2.479 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000583274817 652479605 /nfs/dbraw/zinc/47/96/05/652479605.db2.gz QNENOTHBULMSHB-UHFFFAOYSA-N 1 0 383.283 2.263 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC[C@@H]1[NH3+] ZINC000662968390 652479613 /nfs/dbraw/zinc/47/96/13/652479613.db2.gz FLIQLDGIYAHWRM-ABAIWWIYSA-N 1 0 384.307 2.464 20 0 GEADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000662969616 652480082 /nfs/dbraw/zinc/48/00/82/652480082.db2.gz VIGAQIXQYKMNJS-WFASDCNBSA-N 1 0 382.291 2.089 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000629166754 652480330 /nfs/dbraw/zinc/48/03/30/652480330.db2.gz CREUUGINRBSEDD-SNVBAGLBSA-N 1 0 397.191 2.144 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C2 ZINC000662989968 652480605 /nfs/dbraw/zinc/48/06/05/652480605.db2.gz BHSRVDUUQKDIPA-HNNXBMFYSA-N 1 0 396.329 2.432 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000583311832 652480894 /nfs/dbraw/zinc/48/08/94/652480894.db2.gz YELASXFBHLNRHD-CZUORRHYSA-N 1 0 383.334 2.055 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)cc(Cl)c1 ZINC000755948863 652481815 /nfs/dbraw/zinc/48/18/15/652481815.db2.gz NRIJWQXYBSJZKS-OAHLLOKOSA-N 1 0 376.881 2.401 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000583396333 652483160 /nfs/dbraw/zinc/48/31/60/652483160.db2.gz OEXZGVMHWACQLQ-DVOMOZLQSA-N 1 0 396.329 2.095 20 0 GEADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000583449802 652485413 /nfs/dbraw/zinc/48/54/13/652485413.db2.gz XCVSWZHWBNXLRK-UHFFFAOYSA-N 1 0 387.933 2.324 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)/C=C/c2ccc(Br)o2)ccc1=O ZINC000756064011 652486590 /nfs/dbraw/zinc/48/65/90/652486590.db2.gz SDVCINFPTQJVPI-FNORWQNLSA-N 1 0 380.242 2.417 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000583500364 652487768 /nfs/dbraw/zinc/48/77/68/652487768.db2.gz VCDUUHNNSAKCMW-VXGBXAGGSA-N 1 0 384.318 2.085 20 0 GEADRO Cc1sc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1CS(C)(=O)=O ZINC000583559399 652489633 /nfs/dbraw/zinc/48/96/33/652489633.db2.gz KFPIPXMWWXHSDD-MRXNPFEDSA-N 1 0 378.519 2.218 20 0 GEADRO CCCOc1ccc(Br)cc1CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000583563014 652489987 /nfs/dbraw/zinc/48/99/87/652489987.db2.gz XVQGRVGQEOVQTB-UHFFFAOYSA-N 1 0 396.285 2.412 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(=O)n1C ZINC000583620311 652491817 /nfs/dbraw/zinc/49/18/17/652491817.db2.gz DLUQZCMNRQGYQK-LBPRGKRZSA-N 1 0 396.329 2.403 20 0 GEADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(F)cc1Br ZINC000663309284 652492747 /nfs/dbraw/zinc/49/27/47/652492747.db2.gz BLTFRFUIHIAHCH-SECBINFHSA-N 1 0 379.173 2.098 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)Cc3ccc(Cl)cc3Br)C[C@H]21 ZINC000629353938 652493214 /nfs/dbraw/zinc/49/32/14/652493214.db2.gz AUADCLLLYPGHNF-IMRBUKKESA-N 1 0 393.734 2.424 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563041 652493587 /nfs/dbraw/zinc/49/35/87/652493587.db2.gz POHBWBHSGWSLKM-RAIGVLPGSA-N 1 0 394.235 2.435 20 0 GEADRO CC(C)CN(CC(F)(F)F)C(=O)CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563064 652493630 /nfs/dbraw/zinc/49/36/30/652493630.db2.gz PRRCZFBTWHKPPF-NWDGAFQWSA-N 1 0 377.373 2.492 20 0 GEADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Br)cc1F ZINC000663312527 652493708 /nfs/dbraw/zinc/49/37/08/652493708.db2.gz YQPYWOITGREGFI-SECBINFHSA-N 1 0 379.173 2.098 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)NCCc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629568725 652493923 /nfs/dbraw/zinc/49/39/23/652493923.db2.gz UKBRKVHTSOAYNT-UKRRQHHQSA-N 1 0 377.838 2.458 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCOCCF ZINC000663338541 652494400 /nfs/dbraw/zinc/49/44/00/652494400.db2.gz JSXZKSLUDIJPJR-LLVKDONJSA-N 1 0 377.254 2.038 20 0 GEADRO CSc1nnc(CCCNC(=O)C[C@H]2CSCC[NH2+]2)n1C1CCCC1 ZINC000629598051 652494964 /nfs/dbraw/zinc/49/49/64/652494964.db2.gz HFJYEMJPBIDYPW-ZDUSSCGKSA-N 1 0 383.587 2.259 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]CC/C=C/c2ccc(Br)cc2)CC1 ZINC000629603254 652495193 /nfs/dbraw/zinc/49/51/93/652495193.db2.gz WXKBZYYGARGNAJ-HNQUOIGGSA-N 1 0 388.327 2.382 20 0 GEADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000583760841 652496422 /nfs/dbraw/zinc/49/64/22/652496422.db2.gz UFRGACSALXYSRZ-QLFBSQMISA-N 1 0 375.822 2.396 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2cc(Br)cnn2)CC1 ZINC000663389582 652496484 /nfs/dbraw/zinc/49/64/84/652496484.db2.gz RVSIYJKDQAPUPA-UHFFFAOYSA-N 1 0 396.333 2.058 20 0 GEADRO O[C@@H](C[NH2+]Cc1c(Br)cncc1Br)[C@H]1CCOC1 ZINC000583877784 652501189 /nfs/dbraw/zinc/50/11/89/652501189.db2.gz XXEXWPLMVFLVFG-UFBFGSQYSA-N 1 0 380.080 2.094 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000630041387 652501413 /nfs/dbraw/zinc/50/14/13/652501413.db2.gz MKRKYZSQRSXELJ-MOPGFXCFSA-N 1 0 397.357 2.479 20 0 GEADRO COc1cc(CN2CCOC3(C[NH2+]C3)C2)cc(Br)c1OC(F)F ZINC000663514298 652502158 /nfs/dbraw/zinc/50/21/58/652502158.db2.gz SURGWLBYHPOAGO-UHFFFAOYSA-N 1 0 393.228 2.233 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000583962624 652503844 /nfs/dbraw/zinc/50/38/44/652503844.db2.gz ACAPBZLAUMIAAM-LLVKDONJSA-N 1 0 390.347 2.316 20 0 GEADRO Cc1nc(C)c(Br)c(N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000663593786 652504939 /nfs/dbraw/zinc/50/49/39/652504939.db2.gz QUTLMSNXAQRRIL-HNNXBMFYSA-N 1 0 382.350 2.461 20 0 GEADRO Cc1c(NCC[C@@H](O)C(F)(F)F)ncnc1NCC[C@H](O)C(F)(F)F ZINC000663591560 652505002 /nfs/dbraw/zinc/50/50/02/652505002.db2.gz CWXVXHJDLBXJSF-DTORHVGOSA-N 1 0 376.301 2.235 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000584002007 652505474 /nfs/dbraw/zinc/50/54/74/652505474.db2.gz ITXKKYHJTICYCV-DTWKUNHWSA-N 1 0 381.267 2.097 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663602934 652505493 /nfs/dbraw/zinc/50/54/93/652505493.db2.gz DIUOQNPPBPEMBU-PRHODGIISA-N 1 0 379.766 2.291 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663602648 652505546 /nfs/dbraw/zinc/50/55/46/652505546.db2.gz CZSQFBCJLMKLNF-DTWKUNHWSA-N 1 0 379.766 2.421 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663606342 652506156 /nfs/dbraw/zinc/50/61/56/652506156.db2.gz YHMQEISKZKXNTA-IUCAKERBSA-N 1 0 379.766 2.373 20 0 GEADRO C[C@]1(NC(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CC[NH2+]C1 ZINC000663615646 652506667 /nfs/dbraw/zinc/50/66/67/652506667.db2.gz QKJSPAIUPHDMNP-AWEZNQCLSA-N 1 0 379.766 2.088 20 0 GEADRO CO[C@H]1CCN(Cc2nc(-c3cc(Br)cs3)no2)[C@@H](C[NH3+])C1 ZINC000584053971 652507435 /nfs/dbraw/zinc/50/74/35/652507435.db2.gz YGFFKELRQXZMRE-MNOVXSKESA-N 1 0 387.303 2.499 20 0 GEADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000584060432 652507780 /nfs/dbraw/zinc/50/77/80/652507780.db2.gz FUSDUBQAAOWDLV-CQSZACIVSA-N 1 0 377.286 2.050 20 0 GEADRO CCC(=O)c1ccc(NC[C@@]2([NH+](C)C)CCSC2)c(S(=O)(=O)NC)c1 ZINC000663685378 652508614 /nfs/dbraw/zinc/50/86/14/652508614.db2.gz AEEBRZYOMVMXIY-KRWDZBQOSA-N 1 0 385.555 2.037 20 0 GEADRO CC[NH2+]CCCNC(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000584101417 652509318 /nfs/dbraw/zinc/50/93/18/652509318.db2.gz OPQPPHWAHHGMKL-UHFFFAOYSA-N 1 0 376.226 2.496 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCCC[NH+]1CCC1 ZINC000584123975 652510355 /nfs/dbraw/zinc/51/03/55/652510355.db2.gz PBGOOSHVMJPQEW-ZDUSSCGKSA-N 1 0 384.318 2.148 20 0 GEADRO COc1ccc(Br)c(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000584172733 652512274 /nfs/dbraw/zinc/51/22/74/652512274.db2.gz BXJYETBAJWMKMC-SNVBAGLBSA-N 1 0 380.246 2.054 20 0 GEADRO CCN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CC[N@H+](C)C1 ZINC000663829623 652512397 /nfs/dbraw/zinc/51/23/97/652512397.db2.gz SFJHJKWSDIYESS-CYBMUJFWSA-N 1 0 398.301 2.456 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000630573442 652512436 /nfs/dbraw/zinc/51/24/36/652512436.db2.gz WYGCJTSECNGHBZ-FGTMMUONSA-N 1 0 392.341 2.041 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000584206260 652513162 /nfs/dbraw/zinc/51/31/62/652513162.db2.gz DEBGJKOSSGNNER-JTQLQIEISA-N 1 0 378.420 2.352 20 0 GEADRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)nn1-c1ccc(Br)cc1 ZINC000584212772 652513382 /nfs/dbraw/zinc/51/33/82/652513382.db2.gz BGFZGUZWJLQHAY-HNNXBMFYSA-N 1 0 393.285 2.052 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000630798838 652516629 /nfs/dbraw/zinc/51/66/29/652516629.db2.gz OUVSURJOJAJEIW-LSDHHAIUSA-N 1 0 382.302 2.025 20 0 GEADRO Brc1ccc2nnc(N3CCC([N@@H+]4CCCOCC4)CC3)n2c1 ZINC000664009215 652518071 /nfs/dbraw/zinc/51/80/71/652518071.db2.gz SRYMBXBMEBIGEV-UHFFFAOYSA-N 1 0 380.290 2.183 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631039103 652518749 /nfs/dbraw/zinc/51/87/49/652518749.db2.gz RCESWUBVVPIWTM-UHFFFAOYSA-N 1 0 396.738 2.401 20 0 GEADRO COc1cc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c(F)cc1Br ZINC000631038970 652518763 /nfs/dbraw/zinc/51/87/63/652518763.db2.gz CFHHVTAIPXCCAI-UHFFFAOYSA-N 1 0 395.294 2.110 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000584377834 652518961 /nfs/dbraw/zinc/51/89/61/652518961.db2.gz HUKUAWAUNJUKIL-DZGCQCFKSA-N 1 0 385.496 2.101 20 0 GEADRO NS(=O)(=O)c1c(NC2CC[NH+](C3CC3)CC2)cccc1OC(F)(F)F ZINC000631049095 652519165 /nfs/dbraw/zinc/51/91/65/652519165.db2.gz UKIZFFILMNPDGF-UHFFFAOYSA-N 1 0 379.404 2.271 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000584421799 652520465 /nfs/dbraw/zinc/52/04/65/652520465.db2.gz DMVHPEIESPJYGH-SNVBAGLBSA-N 1 0 378.420 2.337 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000584479632 652522656 /nfs/dbraw/zinc/52/26/56/652522656.db2.gz BBKNJXDUPDDNLS-HNNXBMFYSA-N 1 0 396.329 2.268 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000584581050 652524228 /nfs/dbraw/zinc/52/42/28/652524228.db2.gz IEQSTNJVAOFKMT-UHFFFAOYSA-N 1 0 380.539 2.430 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCCn1cc(Br)cn1)c1cccc(F)c1 ZINC000584641936 652524482 /nfs/dbraw/zinc/52/44/82/652524482.db2.gz OKDMTSFBFKBWEH-OAHLLOKOSA-N 1 0 398.280 2.387 20 0 GEADRO COCc1n[nH]c(CNc2cc[nH+]c3cc(OC)c(Br)cc23)n1 ZINC000664275111 652525251 /nfs/dbraw/zinc/52/52/51/652525251.db2.gz RFYUWEARWRUECR-UHFFFAOYSA-N 1 0 378.230 2.304 20 0 GEADRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000584689820 652525755 /nfs/dbraw/zinc/52/57/55/652525755.db2.gz HQCAKKRXBDSSTL-CQSZACIVSA-N 1 0 376.238 2.226 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000584717445 652526877 /nfs/dbraw/zinc/52/68/77/652526877.db2.gz BZDJCMDFYLYCGG-MRVPVSSYSA-N 1 0 377.344 2.414 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Nc3ccc(Br)cc3)CC2)C1=O ZINC000631529316 652527123 /nfs/dbraw/zinc/52/71/23/652527123.db2.gz IEVJJHHFGGPUIB-OAHLLOKOSA-N 1 0 395.301 2.266 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)COc2ccc(Br)cn2)C1 ZINC000631585806 652528006 /nfs/dbraw/zinc/52/80/06/652528006.db2.gz BRLJXBWWLXMITQ-CQSZACIVSA-N 1 0 382.302 2.413 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@H]1c1ccc(Br)cc1 ZINC000584776065 652528797 /nfs/dbraw/zinc/52/87/97/652528797.db2.gz FUXFWEQJFBYGGN-DAYGRLMNSA-N 1 0 395.297 2.164 20 0 GEADRO CC[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000584814913 652530381 /nfs/dbraw/zinc/53/03/81/652530381.db2.gz XZZWRPVCJPICQZ-BBRMVZONSA-N 1 0 389.949 2.010 20 0 GEADRO CCN(Cc1ccc(Cl)s1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631662381 652530479 /nfs/dbraw/zinc/53/04/79/652530479.db2.gz FZYZFDKXVNYYOQ-UHFFFAOYSA-N 1 0 379.979 2.191 20 0 GEADRO COC1CC[NH+](CCNC(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000631671988 652530818 /nfs/dbraw/zinc/53/08/18/652530818.db2.gz JPYPOSWBTGDPQZ-UHFFFAOYSA-N 1 0 379.448 2.408 20 0 GEADRO NC(=O)c1cc(Cl)nnc1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000758124658 652531118 /nfs/dbraw/zinc/53/11/18/652531118.db2.gz GCWNGIOIWWRNGB-CYBMUJFWSA-N 1 0 377.901 2.258 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(c3ncnc4cc(Br)sc43)CC2)C1 ZINC000664598059 652531478 /nfs/dbraw/zinc/53/14/78/652531478.db2.gz SARNGIGTRUJEMX-NSHDSACASA-N 1 0 383.315 2.489 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000631701102 652531432 /nfs/dbraw/zinc/53/14/32/652531432.db2.gz SLGKZAGJKSXDNQ-ARFHVFGLSA-N 1 0 385.327 2.101 20 0 GEADRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000631699233 652531598 /nfs/dbraw/zinc/53/15/98/652531598.db2.gz ISVBXXQGQVVULD-QUBYGPBYSA-N 1 0 377.240 2.308 20 0 GEADRO CN(C(=O)c1ccnc(Br)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000758224382 652533987 /nfs/dbraw/zinc/53/39/87/652533987.db2.gz BCCZQSVAKQHRHP-HNNXBMFYSA-N 1 0 381.318 2.085 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000631803924 652535273 /nfs/dbraw/zinc/53/52/73/652535273.db2.gz PDUGGNIKBKLOBE-LLVKDONJSA-N 1 0 394.360 2.296 20 0 GEADRO OCc1nn(CN2CC[NH+](CCc3cccs3)CC2)c(=S)n1C1CC1 ZINC000758305221 652536736 /nfs/dbraw/zinc/53/67/36/652536736.db2.gz GVVXPWBGNXZCNE-UHFFFAOYSA-N 1 0 379.555 2.121 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)COc2ccccc2Br)CC[N@@H+]1C ZINC000631883539 652537643 /nfs/dbraw/zinc/53/76/43/652537643.db2.gz GPGHNBCDADEWIZ-VNHYZAJKSA-N 1 0 385.302 2.035 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000758339287 652537963 /nfs/dbraw/zinc/53/79/63/652537963.db2.gz WEHMKUFWOLNVHO-SMDDNHRTSA-N 1 0 390.285 2.242 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1scnc1Br ZINC000758367158 652538794 /nfs/dbraw/zinc/53/87/94/652538794.db2.gz XYPUKBADUQBBJA-NWDGAFQWSA-N 1 0 388.331 2.403 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000586584140 652539081 /nfs/dbraw/zinc/53/90/81/652539081.db2.gz XYMLASBWEMOASU-UHFFFAOYSA-N 1 0 381.885 2.432 20 0 GEADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000631913648 652540684 /nfs/dbraw/zinc/54/06/84/652540684.db2.gz MLEJPSUFPWMVAD-GDBMZVCRSA-N 1 0 386.926 2.399 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000631913533 652540796 /nfs/dbraw/zinc/54/07/96/652540796.db2.gz LFCLXZALODNEJE-AWEZNQCLSA-N 1 0 389.924 2.415 20 0 GEADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000631935975 652542159 /nfs/dbraw/zinc/54/21/59/652542159.db2.gz PTFPIUXFIIYBDZ-CYBMUJFWSA-N 1 0 390.328 2.418 20 0 GEADRO [NH3+]CC[C@@H](NS(=O)(=O)c1cccnc1Oc1ccc(F)cc1)C(F)F ZINC000631943316 652543153 /nfs/dbraw/zinc/54/31/53/652543153.db2.gz SJDBNGUSLXZLLC-GFCCVEGCSA-N 1 0 375.372 2.274 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(OC)CCCC2)[C@@H](C)C1 ZINC000631977763 652543893 /nfs/dbraw/zinc/54/38/93/652543893.db2.gz VKFQKXBVSAMCDS-DLBZAZTESA-N 1 0 376.563 2.002 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631992386 652545485 /nfs/dbraw/zinc/54/54/85/652545485.db2.gz BWCVQFMNPVTKIB-NHYWBVRUSA-N 1 0 391.306 2.492 20 0 GEADRO CCO[C@H](C)c1nc(CN(C)S(=O)(=O)CCC[NH+]2CCCC2)cs1 ZINC000632039237 652545844 /nfs/dbraw/zinc/54/58/44/652545844.db2.gz XRHHTOVQKVIQIV-CQSZACIVSA-N 1 0 375.560 2.488 20 0 GEADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(Br)c1 ZINC000665172064 652546942 /nfs/dbraw/zinc/54/69/42/652546942.db2.gz CEPFAOGINQLZLP-UHFFFAOYSA-N 1 0 385.306 2.241 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ncsc1Br ZINC000632080422 652549896 /nfs/dbraw/zinc/54/98/96/652549896.db2.gz XFGUPTKKUXXOFU-JTQLQIEISA-N 1 0 382.349 2.199 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632083462 652550184 /nfs/dbraw/zinc/55/01/84/652550184.db2.gz QXLUEFGOSMEMAW-UHFFFAOYSA-N 1 0 375.438 2.134 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1F)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000632269433 652553915 /nfs/dbraw/zinc/55/39/15/652553915.db2.gz HPBVNRLFRKTHBZ-UHFFFAOYSA-N 1 0 391.270 2.432 20 0 GEADRO Cc1cnc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c(Br)c1 ZINC000665743784 652558804 /nfs/dbraw/zinc/55/88/04/652558804.db2.gz ABOSWSOGMSGCDT-UHFFFAOYSA-N 1 0 383.334 2.361 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000632366939 652559420 /nfs/dbraw/zinc/55/94/20/652559420.db2.gz CJSLMLJYDBQKTL-CABZTGNLSA-N 1 0 395.294 2.310 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC000632404038 652560317 /nfs/dbraw/zinc/56/03/17/652560317.db2.gz IGGJNBAFPYPMCX-AWEZNQCLSA-N 1 0 379.448 2.053 20 0 GEADRO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000589187709 652561366 /nfs/dbraw/zinc/56/13/66/652561366.db2.gz KSRXNNHGIDDPHP-CJNGLKHVSA-N 1 0 388.917 2.324 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000632570325 652567309 /nfs/dbraw/zinc/56/73/09/652567309.db2.gz KRSLOIGCRZNXBB-CQSZACIVSA-N 1 0 381.325 2.432 20 0 GEADRO CS(=O)(=O)Nc1cccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000589644877 652570423 /nfs/dbraw/zinc/57/04/23/652570423.db2.gz CDBMHPWCFXINMM-UHFFFAOYSA-N 1 0 382.507 2.012 20 0 GEADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000632639502 652571093 /nfs/dbraw/zinc/57/10/93/652571093.db2.gz CLGPGYTVSKQHLA-UHFFFAOYSA-N 1 0 388.331 2.483 20 0 GEADRO O=C(Nc1nnc(CC(F)(F)F)s1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666377074 652573928 /nfs/dbraw/zinc/57/39/28/652573928.db2.gz KPECONAJCNPWOX-JTQLQIEISA-N 1 0 379.408 2.018 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000590116000 652575156 /nfs/dbraw/zinc/57/51/56/652575156.db2.gz POMUZSTYPWJBLA-AWEZNQCLSA-N 1 0 385.295 2.411 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2ccc(F)c(Br)c2)nn1 ZINC000590193841 652576400 /nfs/dbraw/zinc/57/64/00/652576400.db2.gz VAHFWUNTAFSTMX-JTQLQIEISA-N 1 0 385.237 2.246 20 0 GEADRO COc1ccc(Br)c(CN(C)C(=O)c2cnn(CC[NH+](C)C)c2)c1 ZINC000632758942 652577912 /nfs/dbraw/zinc/57/79/12/652577912.db2.gz KSHBJNCHPLBDST-UHFFFAOYSA-N 1 0 395.301 2.488 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC000666485838 652578379 /nfs/dbraw/zinc/57/83/79/652578379.db2.gz IFWZITHNYJIPPK-UHFFFAOYSA-N 1 0 375.579 2.497 20 0 GEADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000590747934 652579438 /nfs/dbraw/zinc/57/94/38/652579438.db2.gz DFEAGDFJSSMMSH-YNEHKIRRSA-N 1 0 388.452 2.005 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C[C@@H]1O ZINC000666547049 652579921 /nfs/dbraw/zinc/57/99/21/652579921.db2.gz VMEZWPNIWLQRPR-HOTGVXAUSA-N 1 0 396.329 2.088 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000633044921 652583407 /nfs/dbraw/zinc/58/34/07/652583407.db2.gz GYBSIQVUGBBJRF-LLVKDONJSA-N 1 0 386.265 2.421 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000592087655 652584518 /nfs/dbraw/zinc/58/45/18/652584518.db2.gz QIHNMJKSMFQEJM-LLVKDONJSA-N 1 0 387.278 2.997 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633075720 652585346 /nfs/dbraw/zinc/58/53/46/652585346.db2.gz BFYSPPHHYLDOEL-LLVKDONJSA-N 1 0 388.331 2.199 20 0 GEADRO Cc1cc(Br)cc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000666798764 652587628 /nfs/dbraw/zinc/58/76/28/652587628.db2.gz SDLUTLORXZRBCJ-UHFFFAOYSA-N 1 0 385.306 2.241 20 0 GEADRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C ZINC000592128061 652588547 /nfs/dbraw/zinc/58/85/47/652588547.db2.gz JAXALOMSTNJGRL-DFBGVHRSSA-N 1 0 381.270 2.295 20 0 GEADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759843780 652589058 /nfs/dbraw/zinc/58/90/58/652589058.db2.gz IYLARAHYAXCABV-BBRMVZONSA-N 1 0 378.897 2.306 20 0 GEADRO CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])c(Br)c1 ZINC000592390750 652593266 /nfs/dbraw/zinc/59/32/66/652593266.db2.gz SEVFUJFHYDKLSY-SNVBAGLBSA-N 1 0 393.303 2.032 20 0 GEADRO O=C(CCOc1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000592404469 652593648 /nfs/dbraw/zinc/59/36/48/652593648.db2.gz JZVOEAWGNREWHL-DLBZAZTESA-N 1 0 397.313 2.276 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)CCO1 ZINC000667147908 652594039 /nfs/dbraw/zinc/59/40/39/652594039.db2.gz MUQJKJJMPJTKIU-NEPJUHHUSA-N 1 0 380.436 2.499 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC[N@@H+]1C ZINC000633365135 652594434 /nfs/dbraw/zinc/59/44/34/652594434.db2.gz MVOHJLXJBVDJOT-GXTWGEPZSA-N 1 0 397.317 2.350 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(OC(F)F)c(Br)c1 ZINC000592434707 652594887 /nfs/dbraw/zinc/59/48/87/652594887.db2.gz MXDWZBFFSHPYCX-LBPRGKRZSA-N 1 0 393.228 2.387 20 0 GEADRO O=C(c1c(F)cncc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000633410558 652595472 /nfs/dbraw/zinc/59/54/72/652595472.db2.gz PYQZPFUMIOOFFX-UHFFFAOYSA-N 1 0 386.265 2.310 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1I ZINC000592479979 652597037 /nfs/dbraw/zinc/59/70/37/652597037.db2.gz IMFODIKFSZLPKW-GFCCVEGCSA-N 1 0 387.265 2.304 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2ccc(Br)cc2F)CC1 ZINC000760170051 652597118 /nfs/dbraw/zinc/59/71/18/652597118.db2.gz HSVSFPMJFBIYLF-UHFFFAOYSA-N 1 0 388.281 2.186 20 0 GEADRO CN(C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)C1C[NH2+]C1 ZINC000667236624 652598311 /nfs/dbraw/zinc/59/83/11/652598311.db2.gz WGSUQUGIELRPNI-UHFFFAOYSA-N 1 0 378.230 2.467 20 0 GEADRO CO[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000633480730 652599656 /nfs/dbraw/zinc/59/96/56/652599656.db2.gz BANLPNTWMMPBRC-CJNGLKHVSA-N 1 0 385.302 2.100 20 0 GEADRO CO[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000633480731 652599719 /nfs/dbraw/zinc/59/97/19/652599719.db2.gz BANLPNTWMMPBRC-CZUORRHYSA-N 1 0 385.302 2.100 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000592551711 652599734 /nfs/dbraw/zinc/59/97/34/652599734.db2.gz XNTRQQNJBHPYOD-ZDUSSCGKSA-N 1 0 376.400 2.161 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000592552838 652599826 /nfs/dbraw/zinc/59/98/26/652599826.db2.gz SKSZGXVNIBCGKN-CYBMUJFWSA-N 1 0 395.253 2.481 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc(Cl)cc(Br)c1F ZINC000592551346 652599863 /nfs/dbraw/zinc/59/98/63/652599863.db2.gz LQANRJNBCGYGQG-NSHDSACASA-N 1 0 393.640 2.219 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCCc1ccc(Br)s1 ZINC000592551511 652599927 /nfs/dbraw/zinc/59/99/27/652599927.db2.gz WRYCFXUMFQBRER-LBPRGKRZSA-N 1 0 389.315 2.197 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000667374765 652602818 /nfs/dbraw/zinc/60/28/18/652602818.db2.gz OODWIAHNSNDCHE-MFKMUULPSA-N 1 0 379.262 2.149 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667374773 652602979 /nfs/dbraw/zinc/60/29/79/652602979.db2.gz OWWCVSIGTWLCKB-BXUZGUMPSA-N 1 0 391.273 2.246 20 0 GEADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000633590291 652602919 /nfs/dbraw/zinc/60/29/19/652602919.db2.gz SMHWPLFCRRWSSX-BVIKNXMNSA-N 1 0 379.298 2.004 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)NCc2nc3ccc(Br)cc3o2)cn1 ZINC000633586305 652602957 /nfs/dbraw/zinc/60/29/57/652602957.db2.gz UXENMSRDTLWYAO-UHFFFAOYSA-N 1 0 392.257 2.278 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000667399633 652603769 /nfs/dbraw/zinc/60/37/69/652603769.db2.gz JVVZGTBIEQRCRP-RISCZKNCSA-N 1 0 385.917 2.354 20 0 GEADRO COc1ncc(NC(=O)c2cnn(CC[NH+](C)C)c2)c(C)c1Br ZINC000633617556 652604133 /nfs/dbraw/zinc/60/41/33/652604133.db2.gz HXXFBYLOALOQCQ-UHFFFAOYSA-N 1 0 382.262 2.172 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667424272 652604832 /nfs/dbraw/zinc/60/48/32/652604832.db2.gz OBPCYLDBFNYYDU-UHFFFAOYSA-N 1 0 380.645 2.296 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(O)cc(=O)[nH]1 ZINC000667427804 652605381 /nfs/dbraw/zinc/60/53/81/652605381.db2.gz QXPRPGSWQPVAPS-UHFFFAOYSA-N 1 0 394.269 2.459 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cn[nH]c(=O)c1 ZINC000667427290 652605398 /nfs/dbraw/zinc/60/53/98/652605398.db2.gz AVYPGZVARWVQSS-UHFFFAOYSA-N 1 0 379.258 2.149 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000667473128 652607059 /nfs/dbraw/zinc/60/70/59/652607059.db2.gz XZSMVJWBSGRCST-SCRDCRAPSA-N 1 0 380.286 2.200 20 0 GEADRO O=C(Nc1cccc2cc(Br)cnc21)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667504911 652608875 /nfs/dbraw/zinc/60/88/75/652608875.db2.gz WHLNQGVAZUCOHU-ZDUSSCGKSA-N 1 0 391.269 2.194 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667505778 652609314 /nfs/dbraw/zinc/60/93/14/652609314.db2.gz AYKLNFHHGITAFE-ZDUSSCGKSA-N 1 0 398.301 2.433 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000667515246 652609621 /nfs/dbraw/zinc/60/96/21/652609621.db2.gz HPZDFBKAIUDBKX-UHFFFAOYSA-N 1 0 391.269 2.276 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(Br)cc2cccnc21 ZINC000592984998 652610966 /nfs/dbraw/zinc/61/09/66/652610966.db2.gz ZAHMOZSDZCMFJS-OAHLLOKOSA-N 1 0 378.270 2.334 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667537164 652611125 /nfs/dbraw/zinc/61/11/25/652611125.db2.gz RYAPOKIXHMDCFM-NOZJJQNGSA-N 1 0 386.677 2.251 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667536677 652611150 /nfs/dbraw/zinc/61/11/50/652611150.db2.gz GIMVFFJFQCSMHE-HZMBPMFUSA-N 1 0 384.249 2.046 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1Br ZINC000667538809 652611154 /nfs/dbraw/zinc/61/11/54/652611154.db2.gz OBVGGIYHKNJTMC-JQWIXIFHSA-N 1 0 384.249 2.046 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)cc1Br ZINC000667544648 652611958 /nfs/dbraw/zinc/61/19/58/652611958.db2.gz BTCNDFGPSDEGCV-RISCZKNCSA-N 1 0 398.301 2.372 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)CC[C@H]1[NH3+] ZINC000667546896 652612498 /nfs/dbraw/zinc/61/24/98/652612498.db2.gz VTLSXVMRULUDFD-DGCLKSJQSA-N 1 0 398.301 2.290 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC[C@H]1[NH3+] ZINC000667550128 652612949 /nfs/dbraw/zinc/61/29/49/652612949.db2.gz GJLYMPWHGGKTOW-XHDPSFHLSA-N 1 0 394.313 2.462 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000667583108 652613991 /nfs/dbraw/zinc/61/39/91/652613991.db2.gz AYZHZHIMXJXHPD-IUCAKERBSA-N 1 0 378.231 2.099 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000667583802 652614019 /nfs/dbraw/zinc/61/40/19/652614019.db2.gz LGAKQAIYEOAITG-WPRPVWTQSA-N 1 0 392.656 2.199 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000667580543 652614047 /nfs/dbraw/zinc/61/40/47/652614047.db2.gz SAXBENUGDNFUEJ-INIZCTEOSA-N 1 0 384.249 2.129 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000667586170 652614401 /nfs/dbraw/zinc/61/44/01/652614401.db2.gz MIHKASWWDPZNJW-UWVGGRQHSA-N 1 0 381.757 2.456 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2nn(C(C)(C)C)cc2Br)n1 ZINC000667618270 652615493 /nfs/dbraw/zinc/61/54/93/652615493.db2.gz RLLWYHGWZJGXMH-UHFFFAOYSA-N 1 0 383.294 2.411 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667683792 652617494 /nfs/dbraw/zinc/61/74/94/652617494.db2.gz SLQQCIDIJBZNQV-HTQZYQBOSA-N 1 0 392.656 2.424 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000633948676 652622667 /nfs/dbraw/zinc/62/26/67/652622667.db2.gz IZYHFWJHFZXSQL-UHFFFAOYSA-N 1 0 385.917 2.078 20 0 GEADRO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000668093710 652628397 /nfs/dbraw/zinc/62/83/97/652628397.db2.gz RFVPGHQFBNSCBW-UHFFFAOYSA-N 1 0 380.539 2.137 20 0 GEADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc4cc(Br)ccc4o3)C2)N1 ZINC000668085132 652628503 /nfs/dbraw/zinc/62/85/03/652628503.db2.gz FGTNUJHJUHFRQI-INIZCTEOSA-N 1 0 378.226 2.369 20 0 GEADRO C[NH+]1CCC(n2cc(NC(=O)c3cc(Br)c[nH]c3=O)cn2)CC1 ZINC000634098098 652630651 /nfs/dbraw/zinc/63/06/51/652630651.db2.gz QSMDOFUMZLEOHH-UHFFFAOYSA-N 1 0 380.246 2.265 20 0 GEADRO C[NH+]1CCC(n2cc(NC(=O)c3c[nH]c(=O)c(Br)c3)cn2)CC1 ZINC000634091374 652630707 /nfs/dbraw/zinc/63/07/07/652630707.db2.gz IDSRYRYXAQEFLG-UHFFFAOYSA-N 1 0 380.246 2.265 20 0 GEADRO COC1CC[NH+](C2(CNC(=O)Cn3cc(Br)cn3)CCCC2)CC1 ZINC000593726818 652633654 /nfs/dbraw/zinc/63/36/54/652633654.db2.gz PFIGYVPNXVMTNI-UHFFFAOYSA-N 1 0 399.333 2.185 20 0 GEADRO C[NH+]1CCN(c2ccnc(NC(=O)c3ccc(Br)cn3)c2)CC1 ZINC000634195613 652633804 /nfs/dbraw/zinc/63/38/04/652633804.db2.gz YJWRMJGAPAAFFI-UHFFFAOYSA-N 1 0 376.258 2.243 20 0 GEADRO CCO[C@@H]1CN(C(=O)Nc2ccccc2I)C[C@H]1C[NH3+] ZINC000593757505 652635044 /nfs/dbraw/zinc/63/50/44/652635044.db2.gz DHUHJMMNLDEGHV-ZWNOBZJWSA-N 1 0 389.237 2.119 20 0 GEADRO CCN(C1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC000761199630 652636683 /nfs/dbraw/zinc/63/66/83/652636683.db2.gz 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O=C(NCCc1ccc(I)s1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594435574 652649264 /nfs/dbraw/zinc/64/92/64/652649264.db2.gz CVYILJUDVWFRQS-SMDDNHRTSA-N 1 0 390.290 2.401 20 0 GEADRO CN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[C@@H]1C[NH+]2CCC1CC2 ZINC000668588544 652650104 /nfs/dbraw/zinc/65/01/04/652650104.db2.gz KEPHOPHVUJGSHD-CYBMUJFWSA-N 1 0 379.258 2.197 20 0 GEADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CC1 ZINC000594450235 652651713 /nfs/dbraw/zinc/65/17/13/652651713.db2.gz VOIBOMDKODOYHG-UHFFFAOYSA-N 1 0 392.880 2.276 20 0 GEADRO COc1cc(Br)c(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)cc1OC ZINC000634702523 652654391 /nfs/dbraw/zinc/65/43/91/652654391.db2.gz IFALDNAUOTZZPN-CXAGYDPISA-N 1 0 388.302 2.468 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1F ZINC000594458464 652654531 /nfs/dbraw/zinc/65/45/31/652654531.db2.gz BUMADCQJGVUWKD-SECBINFHSA-N 1 0 378.853 2.027 20 0 GEADRO C[C@@](O)(C[C@@H](O)C[NH2+]CCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000634702839 652655321 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CC[C@@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2ccccc2Br)CC1 ZINC000595326643 652714572 /nfs/dbraw/zinc/71/45/72/652714572.db2.gz NFFQZKHMOYNYIF-XJKSGUPXSA-N 1 0 385.302 2.052 20 0 GEADRO Cn1c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1-c1ccccc1Br ZINC000762719871 652716068 /nfs/dbraw/zinc/71/60/68/652716068.db2.gz SCMDDDDOZUTZGT-SFHVURJKSA-N 1 0 392.297 2.251 20 0 GEADRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000669831788 652719764 /nfs/dbraw/zinc/71/97/64/652719764.db2.gz WKYQBUZBBJRRBK-UHFFFAOYSA-N 1 0 384.299 2.167 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccsc1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000669939860 652728505 /nfs/dbraw/zinc/72/85/05/652728505.db2.gz NVVBYIIIUKTNGA-AVGNSLFASA-N 1 0 381.523 2.312 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000635487541 652735765 /nfs/dbraw/zinc/73/57/65/652735765.db2.gz SZYZRINGJZYABQ-NSHDSACASA-N 1 0 378.274 2.192 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595863771 652740082 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GEADRO C[NH2+]C[C@H](C)NC(=O)c1cc(Cl)c(I)cc1OC ZINC000595983746 652745514 /nfs/dbraw/zinc/74/55/14/652745514.db2.gz RMPIRTOAAHJPLE-ZETCQYMHSA-N 1 0 382.629 2.291 20 0 GEADRO O=C(CSc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670408439 652745637 /nfs/dbraw/zinc/74/56/37/652745637.db2.gz ONMQUTRKDQFBKS-CQSZACIVSA-N 1 0 384.343 2.047 20 0 GEADRO Cc1cc(CCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)ccc1Br ZINC000670410226 652746372 /nfs/dbraw/zinc/74/63/72/652746372.db2.gz WUZPEKSMDIWYFU-MRXNPFEDSA-N 1 0 380.330 2.196 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]([NH3+])CC(F)F)C2 ZINC000595994542 652746610 /nfs/dbraw/zinc/74/66/10/652746610.db2.gz HMSYBPGQPKTBAL-LURJTMIESA-N 1 0 383.214 2.122 20 0 GEADRO Cc1nn(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1Br ZINC000763331388 652751875 /nfs/dbraw/zinc/75/18/75/652751875.db2.gz DGLLKYVUXZDYOL-CJNGLKHVSA-N 1 0 384.366 2.178 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000670571925 652752162 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O=C1c2ccc(Br)cc2C(=O)N1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000766094453 652866814 /nfs/dbraw/zinc/86/68/14/652866814.db2.gz RPFQPMKOEDSVQE-CYBMUJFWSA-N 1 0 392.297 2.420 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@@H](CCO)CSC)ccc1S(=O)(=O)C(F)F ZINC000766138193 652869039 /nfs/dbraw/zinc/86/90/39/652869039.db2.gz FKHWZMPSXCMYJJ-JQWIXIFHSA-N 1 0 383.482 2.456 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000673590301 652872271 /nfs/dbraw/zinc/87/22/71/652872271.db2.gz QOADEVIZJKRFTF-STQMWFEESA-N 1 0 375.560 2.344 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2Br)C1 ZINC000637820811 652874659 /nfs/dbraw/zinc/87/46/59/652874659.db2.gz ISBWQJVGLHOVOU-LLVKDONJSA-N 1 0 394.269 2.122 20 0 GEADRO CCCNC(=O)C1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000637889885 652876581 /nfs/dbraw/zinc/87/65/81/652876581.db2.gz UBJRVCLECOHLCG-UHFFFAOYSA-N 1 0 380.290 2.230 20 0 GEADRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000599541665 652877299 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CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cc(Br)cnc2OC)C1(C)C ZINC000638559567 652894957 /nfs/dbraw/zinc/89/49/57/652894957.db2.gz FSTJOBKYRLVCQN-WBMJQRKESA-N 1 0 386.290 2.001 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000599965494 652895172 /nfs/dbraw/zinc/89/51/72/652895172.db2.gz KYFRQOWHCWSWLV-UHFFFAOYSA-N 1 0 387.571 2.383 20 0 GEADRO N[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1Br ZINC000638563759 652895298 /nfs/dbraw/zinc/89/52/98/652895298.db2.gz QCPKWGZGYRCIPR-XWIASGKRSA-N 1 0 394.235 2.435 20 0 GEADRO O=C(CN1CC[NH2+]CC1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638586204 652896266 /nfs/dbraw/zinc/89/62/66/652896266.db2.gz PIIAYBPFMBBBJF-AWEZNQCLSA-N 1 0 384.343 2.398 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000638587809 652896301 /nfs/dbraw/zinc/89/63/01/652896301.db2.gz BOYDCJFZKRQYAK-LLVKDONJSA-N 1 0 377.254 2.050 20 0 GEADRO [NH3+]CCn1cc(C(=O)N[C@H]2CCCSc3ccc(Br)cc32)nn1 ZINC000638585602 652896338 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O=C(c1c(F)cncc1Br)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638792727 652906672 /nfs/dbraw/zinc/90/66/72/652906672.db2.gz PHMRNZSUBIHLPZ-LBPRGKRZSA-N 1 0 386.265 2.214 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674619686 652907029 /nfs/dbraw/zinc/90/70/29/652907029.db2.gz UOBXKIOUDUTKIH-QWRGUYRKSA-N 1 0 379.345 2.337 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000638789627 652906988 /nfs/dbraw/zinc/90/69/88/652906988.db2.gz BRVXZUCAMPZFOR-CYBMUJFWSA-N 1 0 398.301 2.089 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000638883699 652910073 /nfs/dbraw/zinc/91/00/73/652910073.db2.gz PMQUKEWJSXBPQL-ZDUSSCGKSA-N 1 0 377.286 2.491 20 0 GEADRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638912663 652912599 /nfs/dbraw/zinc/91/25/99/652912599.db2.gz WEYROKMGWSHOAR-IHRRRGAJSA-N 1 0 382.291 2.418 20 0 GEADRO C[N@@H+]1CCCN(CCCNC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000674800611 652913303 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O=S1(=O)CCC(O)(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000767415713 652924026 /nfs/dbraw/zinc/92/40/26/652924026.db2.gz OVUOWHOGUPBYBQ-JKSUJKDBSA-N 1 0 387.567 2.356 20 0 GEADRO NS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)s1 ZINC000639160456 652924296 /nfs/dbraw/zinc/92/42/96/652924296.db2.gz RKYWXCUFGTXYHR-IXDOHACOSA-N 1 0 378.519 2.400 20 0 GEADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnn4cc(Br)cnc34)[C@H]2C1 ZINC000639186986 652926311 /nfs/dbraw/zinc/92/63/11/652926311.db2.gz WMBISTUSBLVDDY-RCBQFDQVSA-N 1 0 392.301 2.228 20 0 GEADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)CCO1 ZINC000639243096 652927911 /nfs/dbraw/zinc/92/79/11/652927911.db2.gz USULYQIHFJVUCZ-KGLIPLIRSA-N 1 0 391.273 2.235 20 0 GEADRO C[NH+](C)C[C@H]1CN(C(=O)Cn2cc(Br)cn2)c2ccccc2O1 ZINC000675490980 652929529 /nfs/dbraw/zinc/92/95/29/652929529.db2.gz HMSNMDPCNHTMGY-ZDUSSCGKSA-N 1 0 379.258 2.001 20 0 GEADRO COc1cc(C[C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)ccn1 ZINC000639304830 652931864 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CCCn1nccc1NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000639639793 652945732 /nfs/dbraw/zinc/94/57/32/652945732.db2.gz WBMMXOAIEZJZKX-KRWDZBQOSA-N 1 0 395.301 2.491 20 0 GEADRO CS(=O)(=O)Nc1ccc(N2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000767745691 652948201 /nfs/dbraw/zinc/94/82/01/652948201.db2.gz CNCALDOKGNVORD-GFCCVEGCSA-N 1 0 378.325 2.374 20 0 GEADRO Nc1nnc(C2CC[NH+](CCC(=O)Nc3ccc(Br)cc3)CC2)o1 ZINC000639738824 652950736 /nfs/dbraw/zinc/95/07/36/652950736.db2.gz IOOOGQRUXHTIGI-UHFFFAOYSA-N 1 0 394.273 2.623 20 0 GEADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000601108686 652954704 /nfs/dbraw/zinc/95/47/04/652954704.db2.gz IOIAHELHPBJUTO-SASJJMKUSA-N 1 0 378.947 2.157 20 0 GEADRO C[C@](O)(C[C@H](O)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000639775958 652954752 /nfs/dbraw/zinc/95/47/52/652954752.db2.gz HVKWHQCDDXIREQ-ZOBUZTSGSA-N 1 0 385.302 2.209 20 0 GEADRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000601120846 652955193 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CS[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C[C@H]1[NH+]1CCCC1 ZINC000601397752 653091482 /nfs/dbraw/zinc/09/14/82/653091482.db2.gz SFOYLSLQGPQBJA-HIFRSBDPSA-N 1 0 399.563 2.202 20 0 GEADRO COc1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)ncc1Br ZINC000639968664 653091713 /nfs/dbraw/zinc/09/17/13/653091713.db2.gz WDGWCJXALGECDF-CQSZACIVSA-N 1 0 389.319 2.412 20 0 GEADRO COc1ccc(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676344514 653094974 /nfs/dbraw/zinc/09/49/74/653094974.db2.gz OOFPVGHFCYDYEQ-AWEZNQCLSA-N 1 0 383.286 2.441 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640237533 653106261 /nfs/dbraw/zinc/10/62/61/653106261.db2.gz NAZWFGLOMNLUPL-UHFFFAOYSA-N 1 0 397.317 2.311 20 0 GEADRO CSc1nnc(-c2noc([C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC000771474324 653112477 /nfs/dbraw/zinc/11/24/77/653112477.db2.gz LEIZWHYVZWSCIX-MRXNPFEDSA-N 1 0 375.479 2.404 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000676889882 653113291 /nfs/dbraw/zinc/11/32/91/653113291.db2.gz DZEGVWDILBRGLK-HNNXBMFYSA-N 1 0 380.901 2.212 20 0 GEADRO Cn1cc(Br)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000640309122 653114462 /nfs/dbraw/zinc/11/44/62/653114462.db2.gz XHBVGHMMNBLEKO-CYBMUJFWSA-N 1 0 378.274 2.579 20 0 GEADRO Cn1cc(Br)c(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000640316595 653119750 /nfs/dbraw/zinc/11/97/50/653119750.db2.gz WRZAOEARTYPPBV-ZDUSSCGKSA-N 1 0 378.274 2.579 20 0 GEADRO C[C@H](CNC(=O)Nc1nn(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000640324229 653120295 /nfs/dbraw/zinc/12/02/95/653120295.db2.gz CRSYKYIPQGIPML-GFCCVEGCSA-N 1 0 380.290 2.825 20 0 GEADRO Cn1cc(Br)c(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000640327221 653120867 /nfs/dbraw/zinc/12/08/67/653120867.db2.gz QSWZPFZLAWIELC-CQSZACIVSA-N 1 0 392.301 2.969 20 0 GEADRO O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000640384115 653123757 /nfs/dbraw/zinc/12/37/57/653123757.db2.gz ZVZMRMUZAXHPPU-HTQZYQBOSA-N 1 0 385.362 2.941 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640385433 653124601 /nfs/dbraw/zinc/12/46/01/653124601.db2.gz PEEPGSPUYMUILC-UHFFFAOYSA-N 1 0 375.367 2.998 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N(C)CCCC[NH+](C)C)c1 ZINC000678038606 653124542 /nfs/dbraw/zinc/12/45/42/653124542.db2.gz ZCJXEUUSHXLGRV-UHFFFAOYSA-N 1 0 392.363 2.477 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640386972 653124953 /nfs/dbraw/zinc/12/49/53/653124953.db2.gz QRBZKTPUZWCBCB-UHFFFAOYSA-N 1 0 375.367 2.998 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000771801163 653127435 /nfs/dbraw/zinc/12/74/35/653127435.db2.gz RPPYJFQIOYPQRM-ZDUSSCGKSA-N 1 0 375.252 2.469 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000771805140 653127610 /nfs/dbraw/zinc/12/76/10/653127610.db2.gz YENVRUIOGBIBTA-INIZCTEOSA-N 1 0 385.302 2.037 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)n1C ZINC000602009698 653137790 /nfs/dbraw/zinc/13/77/90/653137790.db2.gz AJGNFLQSCQBKMS-ZDUSSCGKSA-N 1 0 397.269 2.104 20 0 GEADRO Brc1ccc(-c2nnc(Cn3cc(C[C@H]4CCC[NH2+]C4)nn3)o2)o1 ZINC000640795174 653139191 /nfs/dbraw/zinc/13/91/91/653139191.db2.gz OQHBRPUTTMMLDM-SNVBAGLBSA-N 1 0 393.245 2.274 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000602032605 653140412 /nfs/dbraw/zinc/14/04/12/653140412.db2.gz CXWBUFCNLJYOEI-UHFFFAOYSA-N 1 0 390.267 2.223 20 0 GEADRO C[C@H](NC(=O)[C@H](C)n1cc(COCC[NH3+])nn1)c1ccc(Cl)cc1Cl ZINC000640838338 653140736 /nfs/dbraw/zinc/14/07/36/653140736.db2.gz FIPPCPLOOBJBGN-QWRGUYRKSA-N 1 0 386.283 2.499 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000679293838 653142877 /nfs/dbraw/zinc/14/28/77/653142877.db2.gz UUICYPQLIRKQLD-DZGCQCFKSA-N 1 0 378.416 2.441 20 0 GEADRO COCC[NH2+]CCc1cn([C@@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640881395 653143543 /nfs/dbraw/zinc/14/35/43/653143543.db2.gz PGDNZINTHFRNQV-LBPRGKRZSA-N 1 0 396.289 2.019 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC000679422491 653146633 /nfs/dbraw/zinc/14/66/33/653146633.db2.gz GUTIWUWJJSRPJG-LBPRGKRZSA-N 1 0 391.331 2.416 20 0 GEADRO Brc1ccc2nc(Cn3cc(C[C@@H]4CCC[NH2+]C4)nn3)cn2c1 ZINC000640958990 653147589 /nfs/dbraw/zinc/14/75/89/653147589.db2.gz UFNTUYQWEWKZMO-LBPRGKRZSA-N 1 0 375.274 2.279 20 0 GEADRO COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)[C@@H](C)[NH+](C)C ZINC000602131898 653148924 /nfs/dbraw/zinc/14/89/24/653148924.db2.gz MJOYGXLHINAMBU-QMTHXVAHSA-N 1 0 396.285 2.081 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@H](n2ccnc2)C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000602135646 653149602 /nfs/dbraw/zinc/14/96/02/653149602.db2.gz LICNNSJJBBZEFU-MCIONIFRSA-N 1 0 376.448 2.415 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccccc1Br)N[C@H]1CCC[NH2+]CC1 ZINC000641041389 653152236 /nfs/dbraw/zinc/15/22/36/653152236.db2.gz BSCWMKPNELAUFM-HIFRSBDPSA-N 1 0 384.318 2.041 20 0 GEADRO Brc1ccc(Cc2nc(Cn3cc(C[NH2+]C4CC4)nn3)no2)cc1 ZINC000641042865 653152648 /nfs/dbraw/zinc/15/26/48/653152648.db2.gz SSVAVGXXMNZQCP-UHFFFAOYSA-N 1 0 389.257 2.315 20 0 GEADRO CC[C@@H]([NH3+])c1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641043584 653152719 /nfs/dbraw/zinc/15/27/19/653152719.db2.gz UEYRXWXJCKGFRM-GFCCVEGCSA-N 1 0 377.246 2.473 20 0 GEADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000769402472 653152846 /nfs/dbraw/zinc/15/28/46/653152846.db2.gz KECZKUHQRKMWPZ-LSDHHAIUSA-N 1 0 379.309 2.276 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1Br ZINC000641070249 653154197 /nfs/dbraw/zinc/15/41/97/653154197.db2.gz BHHSMLWRGGWKCY-HOTGVXAUSA-N 1 0 398.345 2.350 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641072586 653154592 /nfs/dbraw/zinc/15/45/92/653154592.db2.gz KQUVHXUZVZUZJI-ZBFHGGJFSA-N 1 0 398.345 2.350 20 0 GEADRO CS[C@@H]1CN(c2ncnc3c2c(Br)nn3C)C[C@H]1[NH+]1CCCC1 ZINC000772581667 653155196 /nfs/dbraw/zinc/15/51/96/653155196.db2.gz XVSQBYFBGYVRSO-GHMZBOCLSA-N 1 0 397.346 2.142 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000679886390 653157398 /nfs/dbraw/zinc/15/73/98/653157398.db2.gz DWKSEQOGQDNNON-UHFFFAOYSA-N 1 0 384.274 2.242 20 0 GEADRO COc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000602204995 653157890 /nfs/dbraw/zinc/15/78/90/653157890.db2.gz MTCWOFKYEHLDSL-ZDUSSCGKSA-N 1 0 396.329 2.356 20 0 GEADRO CCN(CC(F)(F)F)C(=O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641125391 653159906 /nfs/dbraw/zinc/15/99/06/653159906.db2.gz OIQFPBAJLGVPRP-AWEZNQCLSA-N 1 0 375.782 2.390 20 0 GEADRO COCC[C@@H]([NH3+])Cc1cn(Cc2nc3cc(Br)ccc3o2)nn1 ZINC000641129848 653160205 /nfs/dbraw/zinc/16/02/05/653160205.db2.gz GSPONVHVBIGPAQ-LLVKDONJSA-N 1 0 380.246 2.136 20 0 GEADRO Cc1cc(Cn2cc(CCN3CCC([NH3+])CC3)nn2)ccc1Br ZINC000641129363 653160449 /nfs/dbraw/zinc/16/04/49/653160449.db2.gz LTTLYRKYRCHGMA-UHFFFAOYSA-N 1 0 378.318 2.363 20 0 GEADRO CC(C)(C)n1cc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)nn1 ZINC000641152631 653163035 /nfs/dbraw/zinc/16/30/35/653163035.db2.gz VSWRXDFAHZMWMZ-HNNXBMFYSA-N 1 0 390.289 2.484 20 0 GEADRO Cn1c(Cn2cc([C@H]([NH3+])[C@H]3CCCO3)nn2)nc2ccc(Br)cc21 ZINC000641172420 653165284 /nfs/dbraw/zinc/16/52/84/653165284.db2.gz GGVJNYZVOAGZOA-ZBFHGGJFSA-N 1 0 391.273 2.154 20 0 GEADRO CC(C)(CNC(=O)c1nccn2c(Br)cnc12)[NH+]1CCCCC1 ZINC000769615927 653165976 /nfs/dbraw/zinc/16/59/76/653165976.db2.gz RVEAGJRJKHGZKL-UHFFFAOYSA-N 1 0 380.290 2.486 20 0 GEADRO Cn1c2cc(Br)ccc2nc1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641176238 653166746 /nfs/dbraw/zinc/16/67/46/653166746.db2.gz YMZGHYYUGHEUKA-NSHDSACASA-N 1 0 375.274 2.443 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000806504801 653167079 /nfs/dbraw/zinc/16/70/79/653167079.db2.gz QONGXLSQCSHQMC-HOTGVXAUSA-N 1 0 396.329 2.363 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769743737 653174613 /nfs/dbraw/zinc/17/46/13/653174613.db2.gz PEORJLLKROPYBY-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO C[C@@H]1COCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000641301788 653181754 /nfs/dbraw/zinc/18/17/54/653181754.db2.gz TYFXRHNQBJFQBY-CXAGYDPISA-N 1 0 376.469 2.083 20 0 GEADRO Cc1c(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)cccc1OCC(F)(F)F ZINC000602456204 653182383 /nfs/dbraw/zinc/18/23/83/653182383.db2.gz VNXKQORHIZLVGT-VWLOTQADSA-N 1 0 378.416 2.375 20 0 GEADRO C[S@](=O)C1(C(=O)NCCc2nc(C3CCCCC3)cs2)CC[NH2+]CC1 ZINC000602474929 653184149 /nfs/dbraw/zinc/18/41/49/653184149.db2.gz JLNHDQSQOGOWAE-VWLOTQADSA-N 1 0 383.583 2.350 20 0 GEADRO C[S@@](=O)C1(C(=O)NCCc2nc(C3CCCCC3)cs2)CC[NH2+]CC1 ZINC000602474928 653184364 /nfs/dbraw/zinc/18/43/64/653184364.db2.gz JLNHDQSQOGOWAE-RUZDIDTESA-N 1 0 383.583 2.350 20 0 GEADRO Cn1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)nc1Cl ZINC000769896406 653186616 /nfs/dbraw/zinc/18/66/16/653186616.db2.gz MFICVJYAJPCREK-UHFFFAOYSA-N 1 0 382.917 2.264 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)c1cc(Cl)ccc1I ZINC000602547010 653190291 /nfs/dbraw/zinc/19/02/91/653190291.db2.gz WHXYPALEMREJET-UHFFFAOYSA-N 1 0 396.656 2.253 20 0 GEADRO COC(=O)[C@@]1(NC(=O)C2=CC[C@@H]([NH3+])C2)CCc2cc(Br)ccc2C1 ZINC000602545827 653190080 /nfs/dbraw/zinc/19/00/80/653190080.db2.gz XJKYPLNFWNXVMX-CRAIPNDOSA-N 1 0 393.281 2.013 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000602553439 653190747 /nfs/dbraw/zinc/19/07/47/653190747.db2.gz KDIINLGGMPWLKD-WWGRRREGSA-N 1 0 383.945 2.448 20 0 GEADRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000769928549 653191163 /nfs/dbraw/zinc/19/11/63/653191163.db2.gz SOIDMECIVIGOPV-IRXDYDNUSA-N 1 0 384.567 2.471 20 0 GEADRO C[NH2+]CCOCCNC(=O)CSCc1ccc(Br)cc1F ZINC000602568135 653191152 /nfs/dbraw/zinc/19/11/52/653191152.db2.gz XTNVIYFXPFFMHF-UHFFFAOYSA-N 1 0 379.295 2.174 20 0 GEADRO C[S@](=O)C1(C(=O)NCc2c(Cl)cccc2OC(F)F)CC[NH2+]CC1 ZINC000602604323 653193669 /nfs/dbraw/zinc/19/36/69/653193669.db2.gz OAMDQCUNGGYBFL-DEOSSOPVSA-N 1 0 380.844 2.058 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)nc1Br ZINC000807453433 653195668 /nfs/dbraw/zinc/19/56/68/653195668.db2.gz NMDIYJFGTAZFPS-CHWSQXEVSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)NS(=O)(=O)CCn1ccnc1 ZINC000641395858 653198673 /nfs/dbraw/zinc/19/86/73/653198673.db2.gz SZVDFVSCWYIUHR-LLVKDONJSA-N 1 0 390.278 2.335 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)sc1Br ZINC000681916522 653198841 /nfs/dbraw/zinc/19/88/41/653198841.db2.gz VOHJHONHUCNFNZ-SNVBAGLBSA-N 1 0 383.315 2.467 20 0 GEADRO C[C@H](C[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)OC(C)(C)C ZINC000602686315 653200510 /nfs/dbraw/zinc/20/05/10/653200510.db2.gz CIDNWOWSELCOGO-LLVKDONJSA-N 1 0 376.906 2.397 20 0 GEADRO COc1ncc(Br)c(N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000641409283 653200909 /nfs/dbraw/zinc/20/09/09/653200909.db2.gz QGAXGBGUKBXHIM-UHFFFAOYSA-N 1 0 385.306 2.329 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CC([NH+](C)C)C2)ccc1Cl ZINC000773492190 653201601 /nfs/dbraw/zinc/20/16/01/653201601.db2.gz MXMHODQOEUITBM-UHFFFAOYSA-N 1 0 387.933 2.193 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccnc1I ZINC000807694217 653202172 /nfs/dbraw/zinc/20/21/72/653202172.db2.gz JHFUFYHPHRWGNU-NEPJUHHUSA-N 1 0 385.249 2.385 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccnc1I ZINC000807694221 653202198 /nfs/dbraw/zinc/20/21/98/653202198.db2.gz JHFUFYHPHRWGNU-RYUDHWBXSA-N 1 0 385.249 2.385 20 0 GEADRO CC1(C)CN(CC(=O)Nc2nc(-c3cccs3)cs2)CC[N@@H+]1CCO ZINC000682035157 653205275 /nfs/dbraw/zinc/20/52/75/653205275.db2.gz RKFHGMYMOIZYRW-UHFFFAOYSA-N 1 0 380.539 2.199 20 0 GEADRO CCN(C#N)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000602790807 653207147 /nfs/dbraw/zinc/20/71/47/653207147.db2.gz KIWHXJNZOCTPPJ-ZDUSSCGKSA-N 1 0 380.290 2.298 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(Br)c1 ZINC000682351590 653208422 /nfs/dbraw/zinc/20/84/22/653208422.db2.gz AWPFLBVCKLYAOL-LBPRGKRZSA-N 1 0 398.301 2.385 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000773948405 653218435 /nfs/dbraw/zinc/21/84/35/653218435.db2.gz 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HBWVKYXFUDOOMD-UHFFFAOYSA-N 1 0 381.645 2.363 20 0 GEADRO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000810226825 653331794 /nfs/dbraw/zinc/33/17/94/653331794.db2.gz MINYNFYLHIVCBV-HOYKHHGWSA-N 1 0 378.519 2.239 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000776052377 653336988 /nfs/dbraw/zinc/33/69/88/653336988.db2.gz JFXYPHAFGWLVFW-UHFFFAOYSA-N 1 0 385.306 2.463 20 0 GEADRO O=C(NC[C@@H](O)c1ccccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000836208366 653338206 /nfs/dbraw/zinc/33/82/06/653338206.db2.gz NOBNIUAINZNBQL-MRXNPFEDSA-N 1 0 382.302 2.409 20 0 GEADRO Cn1c(SCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)nnc1-c1cccs1 ZINC000874836991 653338960 /nfs/dbraw/zinc/33/89/60/653338960.db2.gz FULQRUYQTTZDKB-STQMWFEESA-N 1 0 377.539 2.331 20 0 GEADRO CC(C)n1ncc2cc(C[NH2+]CCCN3CCCS3(=O)=O)c(Cl)nc21 ZINC000776173918 653341222 /nfs/dbraw/zinc/34/12/22/653341222.db2.gz PRYGXOQHVPSCPS-UHFFFAOYSA-N 1 0 385.921 2.181 20 0 GEADRO O=C(NCC[C@@H]1CCSC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000874993397 653345584 /nfs/dbraw/zinc/34/55/84/653345584.db2.gz CGOTTZQJIYTUPW-HUUCEWRRSA-N 1 0 381.567 2.261 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000836349677 653346618 /nfs/dbraw/zinc/34/66/18/653346618.db2.gz AZFWTIBWFNFWEG-XHBSWPGZSA-N 1 0 382.302 2.407 20 0 GEADRO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000875001271 653346697 /nfs/dbraw/zinc/34/66/97/653346697.db2.gz MXZSJFGXQPJLLO-ZDUSSCGKSA-N 1 0 376.328 2.163 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836356289 653346891 /nfs/dbraw/zinc/34/68/91/653346891.db2.gz DIQBZSXVASEHNS-HFBAOOFYSA-N 1 0 382.302 2.264 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCCn2cc(Br)ccc2=O)C1 ZINC000810656368 653351172 /nfs/dbraw/zinc/35/11/72/653351172.db2.gz FUHAGBQVBOXGOM-INIZCTEOSA-N 1 0 389.265 2.367 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCc2cc(Br)cs2)C1 ZINC000875104732 653351668 /nfs/dbraw/zinc/35/16/68/653351668.db2.gz ZKSNAUKKHPSVQV-NSHDSACASA-N 1 0 376.320 2.155 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000858174269 653352267 /nfs/dbraw/zinc/35/22/67/653352267.db2.gz QWMFJQSWXMWAIX-UHFFFAOYSA-N 1 0 379.258 2.123 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)NC[C@H](O)c2ccccc2Br)cn1 ZINC000836440507 653352566 /nfs/dbraw/zinc/35/25/66/653352566.db2.gz GZTNNNIWBJBPOM-HNNXBMFYSA-N 1 0 396.289 2.062 20 0 GEADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@H]2CNC(=O)C2)cc1Br ZINC000858177554 653352688 /nfs/dbraw/zinc/35/26/88/653352688.db2.gz QGZFIIPVOXQLTD-MNOVXSKESA-N 1 0 389.265 2.495 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCSCCC(F)(F)F)C1 ZINC000875139088 653354682 /nfs/dbraw/zinc/35/46/82/653354682.db2.gz QVGPGLMVQGRVRD-CYBMUJFWSA-N 1 0 383.480 2.025 20 0 GEADRO O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)NCC[N@@H+]1CCCOCC1 ZINC000836472387 653355157 /nfs/dbraw/zinc/35/51/57/653355157.db2.gz CKCBPQWWSQUJFB-INIZCTEOSA-N 1 0 390.311 2.438 20 0 GEADRO Nc1nc(N2CCC[C@@H](OC(=O)c3scnc3Br)C2)cc[nH+]1 ZINC000810761372 653356300 /nfs/dbraw/zinc/35/63/00/653356300.db2.gz CKBOHJRCBWRCPB-MRVPVSSYSA-N 1 0 384.259 2.104 20 0 GEADRO O=C(NCc1ncc(Cl)s1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000875282882 653361781 /nfs/dbraw/zinc/36/17/81/653361781.db2.gz HQAFRHVCGPCAIX-UHFFFAOYSA-N 1 0 384.933 2.326 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000875296178 653362328 /nfs/dbraw/zinc/36/23/28/653362328.db2.gz UCJWBTGSMAKUOJ-YJBOKZPZSA-N 1 0 396.329 2.279 20 0 GEADRO O=S(=O)(c1ccc(OCCNc2cc[nH+]c(CO)c2)cc1)C(F)(F)F ZINC000858462709 653364683 /nfs/dbraw/zinc/36/46/83/653364683.db2.gz FJLSPBXVWWYWTQ-UHFFFAOYSA-N 1 0 376.356 2.358 20 0 GEADRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)nc1 ZINC000858465358 653365323 /nfs/dbraw/zinc/36/53/23/653365323.db2.gz DTXJUKXHQCWVEP-GUYCJALGSA-N 1 0 384.318 2.111 20 0 GEADRO O=Cc1cc(Br)cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000858535396 653367066 /nfs/dbraw/zinc/36/70/66/653367066.db2.gz XMBWOMQCOBFFPI-UHFFFAOYSA-N 1 0 395.297 2.446 20 0 GEADRO CN(C)S(=O)(=O)N1CC([NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000858570117 653368125 /nfs/dbraw/zinc/36/81/25/653368125.db2.gz SSNXQOJNBQRTSE-HNNXBMFYSA-N 1 0 391.509 2.459 20 0 GEADRO CON(C)C(=O)[C@@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000858587556 653368551 /nfs/dbraw/zinc/36/85/51/653368551.db2.gz ONZFJNJBFPPRSW-CYBMUJFWSA-N 1 0 384.318 2.411 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000836680352 653368706 /nfs/dbraw/zinc/36/87/06/653368706.db2.gz OZUIOWKCWXDOEM-LLVKDONJSA-N 1 0 385.306 2.461 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000858612654 653369903 /nfs/dbraw/zinc/36/99/03/653369903.db2.gz YMEFORGMZXIIOV-ZKYQVNSYSA-N 1 0 387.889 2.266 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836695715 653370657 /nfs/dbraw/zinc/37/06/57/653370657.db2.gz BDHBRMDPLZOBHV-CQSZACIVSA-N 1 0 396.289 2.062 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccnc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000836695816 653371030 /nfs/dbraw/zinc/37/10/30/653371030.db2.gz VMJCBXCJGFLEKE-UKRRQHHQSA-N 1 0 396.333 2.334 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC[C@@H]1C(F)(F)F ZINC000858624568 653372058 /nfs/dbraw/zinc/37/20/58/653372058.db2.gz VUYDROARRVNWPH-YUMQZZPRSA-N 1 0 391.209 2.190 20 0 GEADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000858643519 653373141 /nfs/dbraw/zinc/37/31/41/653373141.db2.gz CZXLGSOLXLKANJ-LBPRGKRZSA-N 1 0 394.324 2.168 20 0 GEADRO CSc1nnc(CNC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)s1 ZINC000875521908 653374229 /nfs/dbraw/zinc/37/42/29/653374229.db2.gz UDLUDFWYWMIRBN-UHFFFAOYSA-N 1 0 375.523 2.287 20 0 GEADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(Br)cn1 ZINC000875548066 653376285 /nfs/dbraw/zinc/37/62/85/653376285.db2.gz CMTDESWOGIAAIF-YPMHNXCESA-N 1 0 385.306 2.050 20 0 GEADRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2csc(CS(C)(=O)=O)n2)C1 ZINC000776824475 653378790 /nfs/dbraw/zinc/37/87/90/653378790.db2.gz WVBWJMYMHLDZGT-OLZOCXBDSA-N 1 0 389.543 2.034 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000776869723 653380270 /nfs/dbraw/zinc/38/02/70/653380270.db2.gz PPYPEBJBYTYEQJ-DDTOSNHZSA-N 1 0 377.254 2.454 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1Cl ZINC000858876814 653381904 /nfs/dbraw/zinc/38/19/04/653381904.db2.gz PWDLZPQHGFFJHM-UHFFFAOYSA-N 1 0 377.894 2.384 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1Cl ZINC000858898556 653383595 /nfs/dbraw/zinc/38/35/95/653383595.db2.gz FYOPERNZNKIZLV-UHFFFAOYSA-N 1 0 375.878 2.233 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)nc2F)CCCC1 ZINC000858901676 653383759 /nfs/dbraw/zinc/38/37/59/653383759.db2.gz HBXKLLFVIMLBKW-UHFFFAOYSA-N 1 0 380.283 2.136 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(Br)nc1F)[NH+]1CCC(C)CC1 ZINC000858921441 653385411 /nfs/dbraw/zinc/38/54/11/653385411.db2.gz FVNUSMDZKWFOGN-LLVKDONJSA-N 1 0 394.310 2.382 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3cc(Br)cnc3F)CC2)CC1 ZINC000858927149 653385961 /nfs/dbraw/zinc/38/59/61/653385961.db2.gz JMYBTCBAHPQYHV-UHFFFAOYSA-N 1 0 399.308 2.272 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2c(Cl)nn(C)c2Cl)CC1 ZINC000858980593 653390103 /nfs/dbraw/zinc/39/01/03/653390103.db2.gz NBSLYOZMLFVAGM-CHWSQXEVSA-N 1 0 388.343 2.358 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)cc1Cl ZINC000858983581 653390493 /nfs/dbraw/zinc/39/04/93/653390493.db2.gz MVFMSZRUYPAOKF-LLVKDONJSA-N 1 0 375.878 2.091 20 0 GEADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)OCc2ncsc2Br)cn1 ZINC000875799803 653391296 /nfs/dbraw/zinc/39/12/96/653391296.db2.gz WVSTYMGHBSZMKR-NEPJUHHUSA-N 1 0 399.314 2.418 20 0 GEADRO C[NH+]1CCC(CCNC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000859003930 653392419 /nfs/dbraw/zinc/39/24/19/653392419.db2.gz XXHHUIIAZUONIK-UHFFFAOYSA-N 1 0 393.285 2.371 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)nc2F)C[C@H]1C ZINC000859009938 653392963 /nfs/dbraw/zinc/39/29/63/653392963.db2.gz BDNQMRQQGCJFSY-GHMZBOCLSA-N 1 0 394.310 2.477 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)N1C[C@@H]2COC(=O)[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000875871413 653395087 /nfs/dbraw/zinc/39/50/87/653395087.db2.gz KNEAHWUWZBXVMV-JMSVASOKSA-N 1 0 386.279 2.411 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2COc3cccc(Br)c3C2)C1 ZINC000876228864 653410900 /nfs/dbraw/zinc/41/09/00/653410900.db2.gz VTKZGWFHUFBCRR-CHWSQXEVSA-N 1 0 382.302 2.346 20 0 GEADRO CSC1(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC[NH+](C)CC1 ZINC000811898507 653412257 /nfs/dbraw/zinc/41/22/57/653412257.db2.gz JCLODDCLJSBARE-RDBSUJKOSA-N 1 0 375.629 2.493 20 0 GEADRO CSC1(CNC(=O)c2cnn(-c3cccc(Cl)c3)n2)CC[NH+](C)CC1 ZINC000811933593 653413241 /nfs/dbraw/zinc/41/32/41/653413241.db2.gz RGVVHZGWHDLBHK-UHFFFAOYSA-N 1 0 379.917 2.478 20 0 GEADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000811933349 653413251 /nfs/dbraw/zinc/41/32/51/653413251.db2.gz MAJLKLOMPYPWSQ-SXSSENBOSA-N 1 0 385.599 2.188 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)nc1F ZINC000859158142 653414738 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COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000876472239 653430533 /nfs/dbraw/zinc/43/05/33/653430533.db2.gz IRCHETSDGUUVHM-INIZCTEOSA-N 1 0 389.265 2.007 20 0 GEADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1csc(-c2cccs2)n1 ZINC000876470521 653430572 /nfs/dbraw/zinc/43/05/72/653430572.db2.gz CSNYRVYKUOCESS-QGZVFWFLSA-N 1 0 381.523 2.291 20 0 GEADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc(C)sc1Br ZINC000876472698 653431097 /nfs/dbraw/zinc/43/10/97/653431097.db2.gz HYDPFIOKXUZZQB-OAHLLOKOSA-N 1 0 391.331 2.238 20 0 GEADRO CC(C)n1ncc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1Br ZINC000876519489 653433876 /nfs/dbraw/zinc/43/38/76/653433876.db2.gz FVNMSYYXPINJLE-UHFFFAOYSA-N 1 0 393.289 2.283 20 0 GEADRO CN1CCN(C(=O)c2cnc(-c3ccccc3Br)s2)[C@@H](C[NH3+])C1 ZINC000876541593 653434663 /nfs/dbraw/zinc/43/46/63/653434663.db2.gz BICVXRAXIVLYCB-NSHDSACASA-N 1 0 395.326 2.288 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000876552147 653435019 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[NH3+]C[C@H]1CN(C(=O)c2sc3c(c2Br)CNC3)C[C@H]1C(F)(F)F ZINC000877355071 653478120 /nfs/dbraw/zinc/47/81/20/653478120.db2.gz GGHHRIHSBYFXGB-POYBYMJQSA-N 1 0 398.248 2.323 20 0 GEADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877365352 653478910 /nfs/dbraw/zinc/47/89/10/653478910.db2.gz FEVZRRNSYHLGRW-XHVZSJERSA-N 1 0 377.794 2.054 20 0 GEADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000877363924 653479064 /nfs/dbraw/zinc/47/90/64/653479064.db2.gz JJNKVAMPUVEUJM-SKDRFNHKSA-N 1 0 398.834 2.343 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000877367416 653479466 /nfs/dbraw/zinc/47/94/66/653479466.db2.gz OOQWZHCAEDOGLB-CABZTGNLSA-N 1 0 381.192 2.424 20 0 GEADRO CC(C)S(=O)(=O)c1ccccc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877369157 653479488 /nfs/dbraw/zinc/47/94/88/653479488.db2.gz UCYQIPXZDLMOFU-AAEUAGOBSA-N 1 0 378.416 2.078 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(=O)[nH]c3c(Br)cccc13)C2 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GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CCCCCC[NH3+])s1 ZINC000877441790 653515736 /nfs/dbraw/zinc/51/57/36/653515736.db2.gz RXIQETNGMMYYMN-HNNXBMFYSA-N 1 0 387.571 2.187 20 0 GEADRO CCOP(=O)(CCC[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)OCC ZINC000877485452 653526542 /nfs/dbraw/zinc/52/65/42/653526542.db2.gz UWCAMQTXVOSNBQ-HNNXBMFYSA-N 1 0 382.463 2.143 20 0 GEADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000859826547 653605648 /nfs/dbraw/zinc/60/56/48/653605648.db2.gz ANDUHKQRGHOMPE-KIGUWFBYSA-N 1 0 376.425 2.023 20 0 GEADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000859828242 653608410 /nfs/dbraw/zinc/60/84/10/653608410.db2.gz STWQGKNXQIPRAS-JNIYBQFBSA-N 1 0 376.425 2.023 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)ncc2Cl)C1 ZINC000779768180 653609369 /nfs/dbraw/zinc/60/93/69/653609369.db2.gz LDLDTYAVQYYYOK-JTQLQIEISA-N 1 0 376.682 2.338 20 0 GEADRO COC(=O)N1CCC(C[NH2+]Cc2snc(OC)c2Br)CC1 ZINC000877518953 653609862 /nfs/dbraw/zinc/60/98/62/653609862.db2.gz NSDZDZBDHBYQBA-UHFFFAOYSA-N 1 0 378.292 2.482 20 0 GEADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c[nH]1 ZINC000859875357 653610854 /nfs/dbraw/zinc/61/08/54/653610854.db2.gz LSIQCUVJYUDSOX-WBVHZDCISA-N 1 0 382.869 2.334 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+]Cc3nc(Cl)ccc3Br)CC2)N1 ZINC000877520970 653610883 /nfs/dbraw/zinc/61/08/83/653610883.db2.gz MVIQHNJRUYVRMJ-UHFFFAOYSA-N 1 0 387.665 2.108 20 0 GEADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(Br)cs1 ZINC000779803960 653611399 /nfs/dbraw/zinc/61/13/99/653611399.db2.gz MYAIACMHIRIEPX-MRXNPFEDSA-N 1 0 396.310 2.272 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000813740719 653613561 /nfs/dbraw/zinc/61/35/61/653613561.db2.gz FZMUSOCAQSCENH-NHYWBVRUSA-N 1 0 399.310 2.148 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c(Cl)cc1Cl ZINC000813741315 653613843 /nfs/dbraw/zinc/61/38/43/653613843.db2.gz PBSORTDTVJFAAJ-NOZJJQNGSA-N 1 0 393.292 2.105 20 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CSc1ccc(/C=C\C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)s1 ZINC000860552124 653630525 /nfs/dbraw/zinc/63/05/25/653630525.db2.gz KYVIARHJMPTZOS-RQOWECAXSA-N 1 0 382.551 2.169 20 0 GEADRO C[C@@H]1Cc2ccc(Br)cc2CN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878328424 653634689 /nfs/dbraw/zinc/63/46/89/653634689.db2.gz HSWLFLFQWVOCHH-CYBMUJFWSA-N 1 0 380.330 2.406 20 0 GEADRO O[C@H](CN1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000878338301 653635010 /nfs/dbraw/zinc/63/50/10/653635010.db2.gz OWYZAFROOUHSFZ-QGZVFWFLSA-N 1 0 389.323 2.186 20 0 GEADRO O[C@@H](C[NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cc(Br)no1 ZINC000878347756 653635525 /nfs/dbraw/zinc/63/55/25/653635525.db2.gz SIFITONZUVJAPN-CABCVRRESA-N 1 0 396.285 2.134 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000878355471 653635570 /nfs/dbraw/zinc/63/55/70/653635570.db2.gz YKDGZHPVZCYMIV-AWEZNQCLSA-N 1 0 379.302 2.014 20 0 GEADRO COC(=O)c1cn([C@H]2CC[N@H+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000878432618 653637200 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GEADRO C[N@@H+](CC(C)(CO)CO)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815063962 653649057 /nfs/dbraw/zinc/64/90/57/653649057.db2.gz VAORYQGWKWUQIH-HNNXBMFYSA-N 1 0 380.710 2.233 20 0 GEADRO Cc1nc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c(Br)n1C ZINC000815070344 653649636 /nfs/dbraw/zinc/64/96/36/653649636.db2.gz SVELTZNCAFSPHN-UHFFFAOYSA-N 1 0 393.351 2.035 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000878866237 653649788 /nfs/dbraw/zinc/64/97/88/653649788.db2.gz SDIVSLJIZCCTTE-JKSUJKDBSA-N 1 0 375.282 2.010 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)cc1F ZINC000839455232 653649940 /nfs/dbraw/zinc/64/99/40/653649940.db2.gz FYDDMTVLZZKJJT-SNVBAGLBSA-N 1 0 392.258 2.015 20 0 GEADRO CC(C)(O)C[C@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000878887891 653650871 /nfs/dbraw/zinc/65/08/71/653650871.db2.gz NVDQKPQDYJZXCN-UMNHJUIQSA-N 1 0 385.140 2.336 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839483697 653650990 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COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCC1 ZINC000839659419 653659543 /nfs/dbraw/zinc/65/95/43/653659543.db2.gz DDOYGHUZEWPZTC-LLVKDONJSA-N 1 0 376.425 2.169 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861440284 653659610 /nfs/dbraw/zinc/65/96/10/653659610.db2.gz WDCOUPAJGKDYCF-LLVKDONJSA-N 1 0 381.274 2.369 20 0 GEADRO CC1=C(Br)CN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000861502816 653660195 /nfs/dbraw/zinc/66/01/95/653660195.db2.gz RGKZGMQPRKECBI-UHFFFAOYSA-N 1 0 394.269 2.008 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C(C)C)cc2s1 ZINC000861508184 653660529 /nfs/dbraw/zinc/66/05/29/653660529.db2.gz JRIUQBRIMWLLKK-CYBMUJFWSA-N 1 0 378.523 2.413 20 0 GEADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000861541938 653661118 /nfs/dbraw/zinc/66/11/18/653661118.db2.gz JCYDAQLWKVGGSS-ZETCQYMHSA-N 1 0 382.180 2.212 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000879219749 653663044 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NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000840550329 653688921 /nfs/dbraw/zinc/68/89/21/653688921.db2.gz ADJPFPXKZCYSAA-OAHLLOKOSA-N 1 0 384.307 2.194 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1[nH]nc(-c2ccccc2)c1Br ZINC000879995881 653691692 /nfs/dbraw/zinc/69/16/92/653691692.db2.gz HBSSKECHNPRNBQ-ZDUSSCGKSA-N 1 0 393.285 2.026 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC2(CC1)OCCO2 ZINC000784338274 653692032 /nfs/dbraw/zinc/69/20/32/653692032.db2.gz VKCDDIJVALVKNY-CQSZACIVSA-N 1 0 390.249 2.167 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cc(C(F)(F)F)cc(Cl)n3)C2)CC1 ZINC000816751719 653692567 /nfs/dbraw/zinc/69/25/67/653692567.db2.gz APWSQOWWAJIBHM-UHFFFAOYSA-N 1 0 376.810 2.073 20 0 GEADRO Cn1cc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(Br)n1 ZINC000880041375 653693608 /nfs/dbraw/zinc/69/36/08/653693608.db2.gz QBVKYRKYGNHBDK-UHFFFAOYSA-N 1 0 393.289 2.364 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000862725210 653693662 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O=C(Nc1cnc(Br)c(Br)c1)N1CCC[NH2+]CC1 ZINC000841142492 653707538 /nfs/dbraw/zinc/70/75/38/653707538.db2.gz QHQNDPUIVMSPJD-UHFFFAOYSA-N 1 0 378.068 2.434 20 0 GEADRO CNC(=O)[C@@H]1CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000817283254 653707539 /nfs/dbraw/zinc/70/75/39/653707539.db2.gz RETDHPBLTGZTRT-MEBBXXQBSA-N 1 0 375.694 2.378 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cnc(Br)c(Br)c2)CC[NH2+]1 ZINC000841142513 653707604 /nfs/dbraw/zinc/70/76/04/653707604.db2.gz QVFLYDGYONPBAJ-SSDOTTSWSA-N 1 0 378.068 2.432 20 0 GEADRO Cc1ccc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)n1 ZINC000841154037 653708211 /nfs/dbraw/zinc/70/82/11/653708211.db2.gz XKEOZCKELHCDSE-GFCCVEGCSA-N 1 0 383.290 2.372 20 0 GEADRO Cn1nc(Br)cc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000785412863 653708857 /nfs/dbraw/zinc/70/88/57/653708857.db2.gz JNCKKODBCDIHTF-INIZCTEOSA-N 1 0 379.302 2.346 20 0 GEADRO COc1cc(NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)ccc1Br ZINC000841192031 653709891 /nfs/dbraw/zinc/70/98/91/653709891.db2.gz 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ZINC000841228474 653711293 /nfs/dbraw/zinc/71/12/93/653711293.db2.gz DVXKYEQVGVQNTE-ZYHUDNBSSA-N 1 0 391.269 2.193 20 0 GEADRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]CCCCO ZINC000785529643 653711629 /nfs/dbraw/zinc/71/16/29/653711629.db2.gz CLBJDRYAVQFEBS-UHFFFAOYSA-N 1 0 396.372 2.448 20 0 GEADRO Cc1c(NC(=O)C(=O)NC(C)(C)CCC[NH3+])cnc(Cl)c1Br ZINC000841251437 653712414 /nfs/dbraw/zinc/71/24/14/653712414.db2.gz LCAGJDGVVWOFNU-UHFFFAOYSA-N 1 0 391.697 2.378 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000841282331 653712958 /nfs/dbraw/zinc/71/29/58/653712958.db2.gz LJHCAXBFYLPHIE-ZDUSSCGKSA-N 1 0 395.301 2.019 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CCCO1 ZINC000841279614 653712961 /nfs/dbraw/zinc/71/29/61/653712961.db2.gz TWVPANGZORNLJC-VIFPVBQESA-N 1 0 393.843 2.169 20 0 GEADRO CS[C@@H]1CN(C(=O)/C(=C/c2cccs2)NC(C)=O)C[C@@H]1[NH+]1CCCC1 ZINC000817559882 653714329 /nfs/dbraw/zinc/71/43/29/653714329.db2.gz FASGZGCFDBWFLN-IYLRHEGRSA-N 1 0 379.551 2.263 20 0 GEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2[nH]nc(C)c2Br)CC1 ZINC000863491971 653714352 /nfs/dbraw/zinc/71/43/52/653714352.db2.gz GQCFQLFQQBJDBQ-UHFFFAOYSA-N 1 0 385.306 2.198 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C2SCCCS2)CC1 ZINC000841384328 653714427 /nfs/dbraw/zinc/71/44/27/653714427.db2.gz UVWUKKMHKRUSCN-UHFFFAOYSA-N 1 0 387.615 2.125 20 0 GEADRO COc1cc(I)ccc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000863559045 653715641 /nfs/dbraw/zinc/71/56/41/653715641.db2.gz FRUHCAHCRLYUOY-GFCCVEGCSA-N 1 0 376.238 2.168 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH+](C)C)CC2)c1 ZINC000841453570 653717819 /nfs/dbraw/zinc/71/78/19/653717819.db2.gz SCMWIABDTJMOCV-UHFFFAOYSA-N 1 0 387.933 2.193 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000841466454 653718220 /nfs/dbraw/zinc/71/82/20/653718220.db2.gz BUURGHWXUOLNRG-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO O=C(NCc1noc([C@H](F)[C@H]2CC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000863674805 653718515 /nfs/dbraw/zinc/71/85/15/653718515.db2.gz BOKLVNPGVWSDCU-GXFFZTMASA-N 1 0 383.221 2.382 20 0 GEADRO Cn1cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c(I)n1 ZINC000864051936 653724809 /nfs/dbraw/zinc/72/48/09/653724809.db2.gz WKCKPUWMQBAAIM-OLZOCXBDSA-N 1 0 375.254 2.462 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2c1cccc2Br ZINC000817773613 653719262 /nfs/dbraw/zinc/71/92/62/653719262.db2.gz HENPZJRLWCTWCD-OLZOCXBDSA-N 1 0 380.286 2.384 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2c1cccc2Br ZINC000817773614 653719291 /nfs/dbraw/zinc/71/92/91/653719291.db2.gz HENPZJRLWCTWCD-QWHCGFSZSA-N 1 0 380.286 2.384 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841480263 653719431 /nfs/dbraw/zinc/71/94/31/653719431.db2.gz JKHDUUDBIJMFPT-NSHDSACASA-N 1 0 389.930 2.339 20 0 GEADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)NCC2([NH2+]C)CCC2)c1 ZINC000863921937 653722234 /nfs/dbraw/zinc/72/22/34/653722234.db2.gz JQSRTPKVVNZXBT-UHFFFAOYSA-N 1 0 389.315 2.115 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c(F)cc1Cl ZINC000841506127 653722808 /nfs/dbraw/zinc/72/28/08/653722808.db2.gz YPKRKLPOQBIKHA-NSHDSACASA-N 1 0 392.880 2.371 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000818021150 653724054 /nfs/dbraw/zinc/72/40/54/653724054.db2.gz SQDRDVARGGEENT-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO O=S(=O)(N[C@@H]1CCCN(CCCO)C1)c1ccc2sc(Cl)nc2c1 ZINC000841522663 653726691 /nfs/dbraw/zinc/72/66/91/653726691.db2.gz COGOHYPUIJCUIM-LLVKDONJSA-N 1 0 389.930 2.075 20 0 GEADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000841523477 653726865 /nfs/dbraw/zinc/72/68/65/653726865.db2.gz FAJCJFUKCFMIQM-NSHDSACASA-N 1 0 387.299 2.054 20 0 GEADRO Cc1cccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Br ZINC000786747213 653727812 /nfs/dbraw/zinc/72/78/12/653727812.db2.gz ANHVUFBMPGFGCU-HUUCEWRRSA-N 1 0 382.302 2.420 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@H]2CC3(CC3)C(=O)O2)nn1)c1ccc(Br)cc1 ZINC000881371723 653728736 /nfs/dbraw/zinc/72/87/36/653728736.db2.gz DVLXWYBOGOIMKH-TZMCWYRMSA-N 1 0 377.242 2.184 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000818356896 653730206 /nfs/dbraw/zinc/73/02/06/653730206.db2.gz SIIAHBGRWNJMPJ-AFAVFJNCSA-N 1 0 386.539 2.251 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)c2ccc(F)c(Br)c2)nn1)[C@@H]1CCCO1 ZINC000881417061 653730196 /nfs/dbraw/zinc/73/01/96/653730196.db2.gz HAWILWUKTVCLCB-QLFBSQMISA-N 1 0 385.237 2.092 20 0 GEADRO C[C@](O)(Cn1cc(COCC[NH3+])nn1)c1ccc(Br)cc1Cl ZINC000881424157 653730754 /nfs/dbraw/zinc/73/07/54/653730754.db2.gz LDSZVEKIYHBPLI-AWEZNQCLSA-N 1 0 389.681 2.077 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000818429299 653731200 /nfs/dbraw/zinc/73/12/00/653731200.db2.gz BSMMUKPKLLFKGR-GHMZBOCLSA-N 1 0 381.267 2.145 20 0 GEADRO COc1ccc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)nc1Br ZINC000881474727 653732202 /nfs/dbraw/zinc/73/22/02/653732202.db2.gz PRGGZLUENPEOIO-CYBMUJFWSA-N 1 0 398.301 2.226 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)[C@H]1C[NH3+] ZINC000818519084 653732289 /nfs/dbraw/zinc/73/22/89/653732289.db2.gz VAUXEBUOXKXZOW-WBMJQRKESA-N 1 0 385.917 2.079 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000818532074 653733005 /nfs/dbraw/zinc/73/30/05/653733005.db2.gz OLMPPNRNZCDZDK-CYBMUJFWSA-N 1 0 387.933 2.289 20 0 GEADRO CCCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@@H]1CC[NH2+]C1 ZINC000818544855 653733254 /nfs/dbraw/zinc/73/32/54/653733254.db2.gz RAWWPCDNXBCZJK-GFCCVEGCSA-N 1 0 378.274 2.244 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000818582191 653733907 /nfs/dbraw/zinc/73/39/07/653733907.db2.gz BEGXDVAHAJEOKW-GFCCVEGCSA-N 1 0 375.922 2.097 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCCc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000787047816 653733970 /nfs/dbraw/zinc/73/39/70/653733970.db2.gz WPRMOESFZFNLJQ-CQSZACIVSA-N 1 0 396.329 2.098 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000818590435 653734093 /nfs/dbraw/zinc/73/40/93/653734093.db2.gz SGHYEMSJMPXHAK-UEKVPHQBSA-N 1 0 378.274 2.146 20 0 GEADRO C[C@H]1CN(C(=O)CCn2cc(Br)cn2)CCN1c1cc[nH+]cc1 ZINC000881630756 653734186 /nfs/dbraw/zinc/73/41/86/653734186.db2.gz MHCZMNKMJWJOBQ-ZDUSSCGKSA-N 1 0 378.274 2.168 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2cc[nH]c(=O)c2Br)CCN1c1cc[nH+]cc1 ZINC000881633843 653734199 /nfs/dbraw/zinc/73/41/99/653734199.db2.gz OXFDVSUZENAPNP-GFCCVEGCSA-N 1 0 391.269 2.225 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000818594641 653734288 /nfs/dbraw/zinc/73/42/88/653734288.db2.gz KJLSPTWZDBVDRR-LLVKDONJSA-N 1 0 389.315 2.115 20 0 GEADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cc(Br)nn1C ZINC000787175014 653735356 /nfs/dbraw/zinc/73/53/56/653735356.db2.gz GUIUSOPRYVHZBR-UHFFFAOYSA-N 1 0 392.345 2.437 20 0 GEADRO Cc1ccc(Br)nc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000787279083 653736499 /nfs/dbraw/zinc/73/64/99/653736499.db2.gz KTFIWUWEDFJSLK-UHFFFAOYSA-N 1 0 383.334 2.298 20 0 GEADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000787305798 653737077 /nfs/dbraw/zinc/73/70/77/653737077.db2.gz ONBDYUJMARFFTM-RKTXRCNFSA-N 1 0 385.599 2.261 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000818948649 653738978 /nfs/dbraw/zinc/73/89/78/653738978.db2.gz UUHPXGYKHGQAJA-QGZVFWFLSA-N 1 0 386.876 2.389 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818946988 653738983 /nfs/dbraw/zinc/73/89/83/653738983.db2.gz ZGRSCXUDZQJCEG-HNNXBMFYSA-N 1 0 381.325 2.431 20 0 GEADRO C[C@](O)(C[NH2+]CCNC(=O)c1ccco1)c1ccc(Br)cc1F ZINC000818949052 653738990 /nfs/dbraw/zinc/73/89/90/653738990.db2.gz XYFRNRJNEWWDFD-INIZCTEOSA-N 1 0 385.233 2.408 20 0 GEADRO COCC[N@H+](C)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000818954770 653739201 /nfs/dbraw/zinc/73/92/01/653739201.db2.gz WMDOMMDQHKNROH-INIZCTEOSA-N 1 0 377.298 2.354 20 0 GEADRO Cn1nc(I)cc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000864502046 653739522 /nfs/dbraw/zinc/73/95/22/653739522.db2.gz ORTRAUTVPXKXPR-UHFFFAOYSA-N 1 0 390.269 2.019 20 0 GEADRO O=C(CC[NH2+]C[C@H]1CN2CCC[C@@H]2CO1)Nc1cccc(Br)c1 ZINC000818986584 653739960 /nfs/dbraw/zinc/73/99/60/653739960.db2.gz QDJIJTUBQLWJIR-CVEARBPZSA-N 1 0 382.302 2.231 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)Cc1ccccc1 ZINC000818976663 653739994 /nfs/dbraw/zinc/73/99/94/653739994.db2.gz LTVXGEYOBRMAPH-QGZVFWFLSA-N 1 0 383.897 2.284 20 0 GEADRO C[C@@](O)(C[NH2+]CCN1CCOC(C)(C)C1)c1ccc(Br)cc1F ZINC000818991452 653740134 /nfs/dbraw/zinc/74/01/34/653740134.db2.gz DFOGQUSFLWAFDL-QGZVFWFLSA-N 1 0 389.309 2.496 20 0 GEADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819002041 653740627 /nfs/dbraw/zinc/74/06/27/653740627.db2.gz HSDCZMIONFMEMQ-BXUZGUMPSA-N 1 0 375.238 2.442 20 0 GEADRO NS(=O)(=O)Cc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000819007063 653740758 /nfs/dbraw/zinc/74/07/58/653740758.db2.gz RKLQMAPBGWKODL-INIZCTEOSA-N 1 0 399.310 2.061 20 0 GEADRO COCCN1CCC[C@@H]1C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819018581 653740953 /nfs/dbraw/zinc/74/09/53/653740953.db2.gz UKJLWAJYMMTSDX-RHSMWYFYSA-N 1 0 389.309 2.496 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)NCC1CCC1 ZINC000819046021 653741387 /nfs/dbraw/zinc/74/13/87/653741387.db2.gz BCOHLCRBGWQQCU-OAHLLOKOSA-N 1 0 380.432 2.048 20 0 GEADRO C[C@](O)(C[NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000819056144 653741793 /nfs/dbraw/zinc/74/17/93/653741793.db2.gz ZYAHRCZKJZQZNL-FZMZJTMJSA-N 1 0 396.734 2.477 20 0 GEADRO CCC[N@H+](C)CC(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000787675682 653742051 /nfs/dbraw/zinc/74/20/51/653742051.db2.gz SANXUJXEVOKIOL-UHFFFAOYSA-N 1 0 383.334 2.481 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Cl)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000864621362 653742355 /nfs/dbraw/zinc/74/23/55/653742355.db2.gz ZGIRAIOILHAOPJ-GDLCADMTSA-N 1 0 385.251 2.392 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819065947 653742346 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COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1(F)F ZINC000787774405 653743814 /nfs/dbraw/zinc/74/38/14/653743814.db2.gz KSMVMMQJKMPWFU-WQAKAFBOSA-N 1 0 376.762 2.228 20 0 GEADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000819172259 653744939 /nfs/dbraw/zinc/74/49/39/653744939.db2.gz XHOVUYNUGNIJFP-KBPBESRZSA-N 1 0 380.432 2.470 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000881870126 653745147 /nfs/dbraw/zinc/74/51/47/653745147.db2.gz XMDUIINXHFKADM-GJZGRUSLSA-N 1 0 398.400 2.002 20 0 GEADRO CC(=O)OCCCS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000787918318 653746040 /nfs/dbraw/zinc/74/60/40/653746040.db2.gz RQLUVSGHLDEXJI-MRXNPFEDSA-N 1 0 388.555 2.394 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)CCO2 ZINC000819208676 653746204 /nfs/dbraw/zinc/74/62/04/653746204.db2.gz CJLNIGZGGDEVKJ-WQVCFCJDSA-N 1 0 394.320 2.353 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842134020 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CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819261560 653747375 /nfs/dbraw/zinc/74/73/75/653747375.db2.gz FAKMVKSXAPULTH-INIZCTEOSA-N 1 0 376.469 2.181 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC1 ZINC000842201183 653747510 /nfs/dbraw/zinc/74/75/10/653747510.db2.gz SVGQGHDCGJTTTK-UHFFFAOYSA-N 1 0 378.782 2.293 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(Cl)cc1F ZINC000819287159 653748145 /nfs/dbraw/zinc/74/81/45/653748145.db2.gz LUFLDHFBWLZLHO-OAHLLOKOSA-N 1 0 390.839 2.220 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000819287565 653748196 /nfs/dbraw/zinc/74/81/96/653748196.db2.gz PFWPNIJOWBWOHN-OAHLLOKOSA-N 1 0 390.839 2.220 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819290062 653748363 /nfs/dbraw/zinc/74/83/63/653748363.db2.gz SZFVZFGNRZINSN-COLVAYQJSA-N 1 0 381.325 2.334 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819290068 653748366 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CCS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000819379392 653749993 /nfs/dbraw/zinc/74/99/93/653749993.db2.gz GXMRLJPTIILHHJ-UHFFFAOYSA-N 1 0 387.670 2.469 20 0 GEADRO COC(=O)C1(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCC1 ZINC000881934193 653751351 /nfs/dbraw/zinc/75/13/51/653751351.db2.gz PPDJRSKFSZMISU-UKRRQHHQSA-N 1 0 386.539 2.146 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1nc(Br)sc1Cl ZINC000865058097 653752265 /nfs/dbraw/zinc/75/22/65/653752265.db2.gz GGKJOOKPBHSFOK-YUMQZZPRSA-N 1 0 380.695 2.152 20 0 GEADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000881960150 653753087 /nfs/dbraw/zinc/75/30/87/653753087.db2.gz HDRDLDBQQZCFKV-CQSZACIVSA-N 1 0 399.384 2.477 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000865125447 653754748 /nfs/dbraw/zinc/75/47/48/653754748.db2.gz GWTIIFXMKWRXOD-BLLLJJGKSA-N 1 0 384.318 2.473 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)N=[S@@](C)(=O)C3CCCCC3)CC[C@H]21 ZINC000881994904 653756007 /nfs/dbraw/zinc/75/60/07/653756007.db2.gz JUJVBGLBNKMGSH-SWHMAYCHSA-N 1 0 377.576 2.078 20 0 GEADRO O=C1N[C@@H]2CN(Cc3cc(Cl)nc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000842476621 653757500 /nfs/dbraw/zinc/75/75/00/653757500.db2.gz BVADURZVEAOXFK-KGLIPLIRSA-N 1 0 384.311 2.109 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Cl ZINC000842480924 653757813 /nfs/dbraw/zinc/75/78/13/653757813.db2.gz CKZZSLHVJYWCPX-BLLLJJGKSA-N 1 0 386.901 2.279 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000865258268 653758032 /nfs/dbraw/zinc/75/80/32/653758032.db2.gz VEFXYYKESBXEBN-UHFFFAOYSA-N 1 0 384.571 2.050 20 0 GEADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000842483430 653758047 /nfs/dbraw/zinc/75/80/47/653758047.db2.gz LLPPTSPSZKOMGP-NTEUORMPSA-N 1 0 383.945 2.447 20 0 GEADRO C[C@H](NC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)C(F)(F)F ZINC000865253981 653758192 /nfs/dbraw/zinc/75/81/92/653758192.db2.gz HRWJQPUINMJRAF-SWLSCSKDSA-N 1 0 375.460 2.427 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842484551 653758232 /nfs/dbraw/zinc/75/82/32/653758232.db2.gz ATTXZBYMDOXIQA-GFCCVEGCSA-N 1 0 380.695 2.014 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842484553 653758345 /nfs/dbraw/zinc/75/83/45/653758345.db2.gz ATTXZBYMDOXIQA-LBPRGKRZSA-N 1 0 380.695 2.014 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842485084 653758541 /nfs/dbraw/zinc/75/85/41/653758541.db2.gz JLYRBWDAHUDQGT-QGZVFWFLSA-N 1 0 381.885 2.413 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)/C=C/c3cccc(Cl)c3)C2)nn1 ZINC000842486376 653758801 /nfs/dbraw/zinc/75/88/01/653758801.db2.gz YQIAAUJTUMVADA-BVBGJJFLSA-N 1 0 381.889 2.028 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCSC(F)(F)F)c1ccc(Cl)cc1 ZINC000788541796 653759263 /nfs/dbraw/zinc/75/92/63/653759263.db2.gz FWYBMVNFZNLVMU-GFCCVEGCSA-N 1 0 397.850 2.428 20 0 GEADRO Cc1ccc([C@H](CNC(=O)C(=O)NCCSC(F)(F)F)[NH+](C)C)cc1 ZINC000788549270 653759410 /nfs/dbraw/zinc/75/94/10/653759410.db2.gz VHNAGFODWHABPQ-ZDUSSCGKSA-N 1 0 377.432 2.083 20 0 GEADRO C[NH2+]C[C@@H](C)c1noc(-c2ccc3ncc(I)n3c2)n1 ZINC000842582283 653759865 /nfs/dbraw/zinc/75/98/65/653759865.db2.gz XYBDQKKCGSTBEA-MRVPVSSYSA-N 1 0 383.193 2.312 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788588591 653759898 /nfs/dbraw/zinc/75/98/98/653759898.db2.gz LTTCOWPIKPWQQZ-FRRDWIJNSA-N 1 0 378.947 2.145 20 0 GEADRO COCC(C)(C)[NH+]1CCN(CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000819895900 653760786 /nfs/dbraw/zinc/76/07/86/653760786.db2.gz UKEAIVDWNURBFY-UHFFFAOYSA-N 1 0 381.571 2.219 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000788670931 653762658 /nfs/dbraw/zinc/76/26/58/653762658.db2.gz LOKSDEAOASKPPH-KBRIMQKVSA-N 1 0 395.297 2.074 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2nc3ncccc3s2)C1 ZINC000865373927 653762969 /nfs/dbraw/zinc/76/29/69/653762969.db2.gz KNORTTZVLOZLSR-ZDUSSCGKSA-N 1 0 380.539 2.256 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cnc1Cl ZINC000842688147 653763029 /nfs/dbraw/zinc/76/30/29/653763029.db2.gz ALSQZLOORKKEQP-CABZTGNLSA-N 1 0 396.738 2.305 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cnc1Cl ZINC000842688148 653763076 /nfs/dbraw/zinc/76/30/76/653763076.db2.gz ALSQZLOORKKEQP-JOYOIKCWSA-N 1 0 396.738 2.305 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000842696152 653763341 /nfs/dbraw/zinc/76/33/41/653763341.db2.gz NSONYTUVFIUNHU-JTQLQIEISA-N 1 0 381.267 2.017 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000842699970 653763628 /nfs/dbraw/zinc/76/36/28/653763628.db2.gz SRKCELWVZOZRNS-NXEZZACHSA-N 1 0 395.294 2.263 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Br)cnc1Cl ZINC000842707402 653763897 /nfs/dbraw/zinc/76/38/97/653763897.db2.gz WACORGNFXFJYDB-GFCCVEGCSA-N 1 0 396.738 2.401 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1Br ZINC000842719720 653764595 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Cc1c(Cl)cccc1C[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000865473944 653766396 /nfs/dbraw/zinc/76/63/96/653766396.db2.gz YBNFPVKQQNAXIS-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc(=O)[nH]cc1Br ZINC000820107103 653766758 /nfs/dbraw/zinc/76/67/58/653766758.db2.gz OZCPGBHVVQXLQE-HALDLXJZSA-N 1 0 388.265 2.410 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H]1CCCCS1(=O)=O)CC(F)(F)F ZINC000865526780 653767612 /nfs/dbraw/zinc/76/76/12/653767612.db2.gz XPZONLZRKSUNKB-NEPJUHHUSA-N 1 0 388.452 2.389 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865588178 653769238 /nfs/dbraw/zinc/76/92/38/653769238.db2.gz XMKLURRSOHZCCC-VXGBXAGGSA-N 1 0 376.320 2.381 20 0 GEADRO CC(C)(C)OC(=O)Nc1cnc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cn1 ZINC000865622060 653770215 /nfs/dbraw/zinc/77/02/15/653770215.db2.gz KIMQCQHQDHKXOH-RUZDIDTESA-N 1 0 382.408 2.224 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000842842620 653770452 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O=S(=O)(c1cncc(Br)c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842875754 653771534 /nfs/dbraw/zinc/77/15/34/653771534.db2.gz OKHLYTRIXRLEFK-STQMWFEESA-N 1 0 388.331 2.244 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)ccc1Br ZINC000842893443 653772507 /nfs/dbraw/zinc/77/25/07/653772507.db2.gz VNCZWYYWSGRHQE-UHFFFAOYSA-N 1 0 375.288 2.154 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)C2)C1 ZINC000820341928 653772784 /nfs/dbraw/zinc/77/27/84/653772784.db2.gz IBLIJBPFHHMYOT-KBXCAEBGSA-N 1 0 392.297 2.429 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1Br ZINC000842895222 653772709 /nfs/dbraw/zinc/77/27/09/653772709.db2.gz LMCPLYQFMYJKRI-LBPRGKRZSA-N 1 0 389.315 2.462 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842896196 653772742 /nfs/dbraw/zinc/77/27/42/653772742.db2.gz VIGRCBMILIMRLB-LLVKDONJSA-N 1 0 395.294 2.407 20 0 GEADRO O=S(=O)(CC[C@H]1CC1(Cl)Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000882257937 653772885 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20 0 GEADRO C[C@@H](CNC(=O)Cc1ccc(Br)cc1Cl)N1CC[NH+](C)CC1 ZINC000865816950 653776082 /nfs/dbraw/zinc/77/60/82/653776082.db2.gz VCSOMZOLAZREOK-LBPRGKRZSA-N 1 0 388.737 2.397 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ncc(Br)s2)cc1 ZINC000865817953 653776099 /nfs/dbraw/zinc/77/60/99/653776099.db2.gz KGFIOGDSVDLOBP-UHFFFAOYSA-N 1 0 390.328 2.146 20 0 GEADRO C[NH+](C)CCCOC1CCN(C(=O)c2csc(Br)n2)CC1 ZINC000820609297 653777719 /nfs/dbraw/zinc/77/77/19/653777719.db2.gz QCDSVFBIVGXTJE-UHFFFAOYSA-N 1 0 376.320 2.479 20 0 GEADRO C[C@](O)(C[NH2+]CC1(CO)CCOCC1)c1ccc(Br)cc1F ZINC000843075150 653778678 /nfs/dbraw/zinc/77/86/78/653778678.db2.gz FIQJCPPDHDGKNB-HNNXBMFYSA-N 1 0 376.266 2.174 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084841 653778816 /nfs/dbraw/zinc/77/88/16/653778816.db2.gz RWFXPOBQPOBVLB-CVEARBPZSA-N 1 0 387.860 2.239 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000865895132 653779110 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C[NH+](C)CCCN(C(=O)c1sccc1C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000820673443 653780064 /nfs/dbraw/zinc/78/00/64/653780064.db2.gz ADWDRCOIEVDIFD-NSHDSACASA-N 1 0 380.482 2.267 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)s1 ZINC000820680875 653780201 /nfs/dbraw/zinc/78/02/01/653780201.db2.gz XDNWCJXXQZLSMO-INIZCTEOSA-N 1 0 392.518 2.254 20 0 GEADRO Cc1sc2[nH]c(Cc3noc(C[C@H]4CSCC[NH2+]4)n3)nc(=O)c2c1C ZINC000843195713 653780944 /nfs/dbraw/zinc/78/09/44/653780944.db2.gz AGLNKPPTEWLIJC-JTQLQIEISA-N 1 0 377.495 2.235 20 0 GEADRO O=c1[nH]c(Cc2noc(C[C@H]3CCC[NH2+]3)n2)nc2ccc(Br)cc12 ZINC000843201509 653781204 /nfs/dbraw/zinc/78/12/04/653781204.db2.gz XRTCVXPYAMWCEF-SNVBAGLBSA-N 1 0 390.241 2.366 20 0 GEADRO C[S@@](=O)(=NS(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000882425661 653781337 /nfs/dbraw/zinc/78/13/37/653781337.db2.gz ZBZDGUOBOWIFHF-GYCJOSAFSA-N 1 0 391.603 2.373 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000820729360 653781416 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COC(=O)[C@H]1CN(c2ccc([S@@](=N)(=O)C(F)(F)F)cc2)CC[N@H+](C)C1 ZINC000882450983 653782544 /nfs/dbraw/zinc/78/25/44/653782544.db2.gz BCROCSXODKJSBE-SSINHNECSA-N 1 0 379.404 2.153 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1cc(Br)no1 ZINC000865996004 653782881 /nfs/dbraw/zinc/78/28/81/653782881.db2.gz DBWWVWVINOUWMX-UHFFFAOYSA-N 1 0 383.246 2.093 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC000882469316 653783444 /nfs/dbraw/zinc/78/34/44/653783444.db2.gz WLIVIDDRHZLBKS-AWEZNQCLSA-N 1 0 387.373 2.190 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000789972202 653783576 /nfs/dbraw/zinc/78/35/76/653783576.db2.gz DWKPHURZMZISKN-NSHDSACASA-N 1 0 378.826 2.048 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(c3cnn(CC(F)(F)F)c(=O)c3Br)[C@@H]2C1 ZINC000882483705 653784381 /nfs/dbraw/zinc/78/43/81/653784381.db2.gz IQLMEKNDOVYPGT-GXSJLCMTSA-N 1 0 395.223 2.099 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1cccc(Br)c1 ZINC000866043026 653784489 /nfs/dbraw/zinc/78/44/89/653784489.db2.gz IGFWEAFEZFXXMR-ZLIFDBKOSA-N 1 0 396.329 2.425 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000882487487 653784560 /nfs/dbraw/zinc/78/45/60/653784560.db2.gz FDALTDFCBKGXNW-LBPRGKRZSA-N 1 0 387.933 2.241 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000882499339 653784943 /nfs/dbraw/zinc/78/49/43/653784943.db2.gz KIUVHOAQTGQSKU-UHFFFAOYSA-N 1 0 394.313 2.266 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)CC[C@H]21 ZINC000882500880 653785134 /nfs/dbraw/zinc/78/51/34/653785134.db2.gz CADHWHVAUDTAKG-MWLCHTKSSA-N 1 0 383.823 2.469 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(Br)cn3ncnc23)CC[N@@H+](C2CC2)C1 ZINC000820874378 653785543 /nfs/dbraw/zinc/78/55/43/653785543.db2.gz ODQQBMRBLGFKSE-LLVKDONJSA-N 1 0 378.274 2.048 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000882508177 653785611 /nfs/dbraw/zinc/78/56/11/653785611.db2.gz WHXIJTMBDVBQRJ-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO Cc1nc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)sc1-c1ccccc1 ZINC000843378803 653785618 /nfs/dbraw/zinc/78/56/18/653785618.db2.gz FFJSDQNXZSTWKO-UHFFFAOYSA-N 1 0 379.507 2.224 20 0 GEADRO C[N@@H+]1CCN(c2cccc(OC(F)(F)F)c2S(N)(=O)=O)CCC1(C)C ZINC000866109971 653786197 /nfs/dbraw/zinc/78/61/97/653786197.db2.gz OZJHGHBFWLCOLZ-UHFFFAOYSA-N 1 0 381.420 2.153 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC000882524617 653786636 /nfs/dbraw/zinc/78/66/36/653786636.db2.gz VYVVMBAJZRUESX-UHFFFAOYSA-N 1 0 379.448 2.069 20 0 GEADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000843450935 653787221 /nfs/dbraw/zinc/78/72/21/653787221.db2.gz CPBWKNJVTBITDM-GOOCMWNKSA-N 1 0 380.286 2.050 20 0 GEADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1sccc1S(=O)(=O)C(F)F ZINC000843456435 653787403 /nfs/dbraw/zinc/78/74/03/653787403.db2.gz BBABSOZXEYGQLF-UHFFFAOYSA-N 1 0 390.437 2.118 20 0 GEADRO C[C@H](CNC(=O)/C=C/CN1CCOCC1)Oc1ccc(Br)cc1 ZINC000866182859 653788203 /nfs/dbraw/zinc/78/82/03/653788203.db2.gz GSFOKBLCSOOSBR-BAABZTOOSA-N 1 0 383.286 2.221 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000843503048 653788508 /nfs/dbraw/zinc/78/85/08/653788508.db2.gz IZWYFHFIIRROMJ-WDEREUQCSA-N 1 0 375.922 2.272 20 0 GEADRO [NH3+]CCCCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000843506243 653788631 /nfs/dbraw/zinc/78/86/31/653788631.db2.gz IOOSRDZYBPLAKF-UHFFFAOYSA-N 1 0 387.933 2.373 20 0 GEADRO [NH3+]CCCCCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000843509050 653788737 /nfs/dbraw/zinc/78/87/37/653788737.db2.gz DNOPEXIPWABDPX-CYBMUJFWSA-N 1 0 382.302 2.437 20 0 GEADRO Cc1c(Br)cccc1CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000790290945 653788963 /nfs/dbraw/zinc/78/89/63/653788963.db2.gz QVLCTLUHWFBBJH-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1)C(F)(F)F ZINC000866265092 653789570 /nfs/dbraw/zinc/78/95/70/653789570.db2.gz IGOAHAAWGVIPHJ-HUUCEWRRSA-N 1 0 384.464 2.485 20 0 GEADRO CC(C)n1ncc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1I ZINC000866271938 653789804 /nfs/dbraw/zinc/78/98/04/653789804.db2.gz RCEVPHHEFNEAIQ-NSHDSACASA-N 1 0 390.269 2.140 20 0 GEADRO CCOC(=O)c1csc([C@@H]2CCCN2C(=S)NC2CC[NH+](C)CC2)n1 ZINC000790355177 653789822 /nfs/dbraw/zinc/78/98/22/653789822.db2.gz OHAWJLYEOGCCHC-AWEZNQCLSA-N 1 0 382.555 2.425 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(F)cc(Br)c1F ZINC000821057278 653789836 /nfs/dbraw/zinc/78/98/36/653789836.db2.gz QTYPXWFQHRYIJL-NSHDSACASA-N 1 0 377.229 2.304 20 0 GEADRO CC1(C)CN(C(=O)c2cc(Br)ncc2Br)CC[NH2+]1 ZINC000866325699 653790827 /nfs/dbraw/zinc/79/08/27/653790827.db2.gz DQJJFQZVTKDAAA-UHFFFAOYSA-N 1 0 377.080 2.431 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CCN1c1cc[nH+]cc1 ZINC000882621112 653791086 /nfs/dbraw/zinc/79/10/86/653791086.db2.gz LCOGDMVGNQXZJJ-LBPRGKRZSA-N 1 0 397.298 2.139 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1nc2ncc(Br)cn2n1 ZINC000882624257 653791581 /nfs/dbraw/zinc/79/15/81/653791581.db2.gz DMPPQCVCEFIAOD-UHFFFAOYSA-N 1 0 395.305 2.225 20 0 GEADRO CCN(CCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)S(C)(=O)=O ZINC000790531606 653793236 /nfs/dbraw/zinc/79/32/36/653793236.db2.gz QENWKYNGSUDFTD-UHFFFAOYSA-N 1 0 384.933 2.346 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000790584184 653793499 /nfs/dbraw/zinc/79/34/99/653793499.db2.gz RHMUQLSWGVDCSG-HNNXBMFYSA-N 1 0 387.933 2.098 20 0 GEADRO CC(=O)N1C[C@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]2C1 ZINC000821322447 653794422 /nfs/dbraw/zinc/79/44/22/653794422.db2.gz HKTGXISSLNHJCE-PHIMTYICSA-N 1 0 397.298 2.471 20 0 GEADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000866426125 653794680 /nfs/dbraw/zinc/79/46/80/653794680.db2.gz SCSPUUOBCFTZTG-UHFFFAOYSA-N 1 0 378.841 2.387 20 0 GEADRO O=S(=O)(N=S1(=O)CCCC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000866430201 653795105 /nfs/dbraw/zinc/79/51/05/653795105.db2.gz REDONQDZVKTBKM-UHFFFAOYSA-N 1 0 385.555 2.269 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866504394 653799439 /nfs/dbraw/zinc/79/94/39/653799439.db2.gz FSMWMEPHKMGMGM-VXGBXAGGSA-N 1 0 393.351 2.209 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@H]3CCc4c3cc(Br)cc4F)COCCN12 ZINC000866519072 653800292 /nfs/dbraw/zinc/80/02/92/653800292.db2.gz LRBLAGKUMKNLKR-GOEBONIOSA-N 1 0 385.233 2.386 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@H](c3nc(Br)cs3)C3CC3)COCCN12 ZINC000866523491 653800644 /nfs/dbraw/zinc/80/06/44/653800644.db2.gz PYMRQLVRWZCFFV-FZMZJTMJSA-N 1 0 388.287 2.168 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cn(C(C)(C)C)nc1Br)CCO2 ZINC000844094616 653801208 /nfs/dbraw/zinc/80/12/08/653801208.db2.gz PQVCWALRLPHVMT-UHFFFAOYSA-N 1 0 399.333 2.337 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(Br)c1 ZINC000866539729 653801360 /nfs/dbraw/zinc/80/13/60/653801360.db2.gz FIMHKZRPGBTVNK-GOPGUHFVSA-N 1 0 394.313 2.225 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Br)ncc1Cl)CCO2 ZINC000844095195 653801355 /nfs/dbraw/zinc/80/13/55/653801355.db2.gz VLSGGIBOCSYQDR-UHFFFAOYSA-N 1 0 388.693 2.434 20 0 GEADRO CC(C)(C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)CS(N)(=O)=O ZINC000866570726 653802644 /nfs/dbraw/zinc/80/26/44/653802644.db2.gz PAQHNKLCDRKDNY-CYBMUJFWSA-N 1 0 379.295 2.480 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000844163586 653802808 /nfs/dbraw/zinc/80/28/08/653802808.db2.gz DMEUSOUDSDSXMV-UHFFFAOYSA-N 1 0 379.258 2.500 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000844187019 653803005 /nfs/dbraw/zinc/80/30/05/653803005.db2.gz BHOOLBLWJYWHCD-LLVKDONJSA-N 1 0 381.782 2.017 20 0 GEADRO O=C1O[C@H](C[N@@H+](CCO)Cc2cc(Br)cs2)CN1C1CC1 ZINC000844319226 653804880 /nfs/dbraw/zinc/80/48/80/653804880.db2.gz AYRYAVVGGDATJF-GFCCVEGCSA-N 1 0 375.288 2.288 20 0 GEADRO O=S(=O)(c1nc[nH]c1Br)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000866597110 653805382 /nfs/dbraw/zinc/80/53/82/653805382.db2.gz NGGIEMNADASZGZ-UHFFFAOYSA-N 1 0 391.335 2.059 20 0 GEADRO CC(C)C[NH+]1CCC(NCc2c(I)cnn2C)CC1 ZINC000866630494 653806843 /nfs/dbraw/zinc/80/68/43/653806843.db2.gz QTGLPIVARUSIOA-UHFFFAOYSA-N 1 0 376.286 2.235 20 0 GEADRO CC[C@H]([NH2+]Cc1c(I)cnn1C)C1(C(=O)OC)CCC1 ZINC000866629781 653806878 /nfs/dbraw/zinc/80/68/78/653806878.db2.gz LYIDWANROKNKFB-LBPRGKRZSA-N 1 0 391.253 2.236 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000866629212 653806919 /nfs/dbraw/zinc/80/69/19/653806919.db2.gz DOSBDJJLDWIOPV-ADEWGFFLSA-N 1 0 395.335 2.494 20 0 GEADRO C[NH+](C)CCN1CCN(C(=S)Nc2cc(Cl)cc(Cl)c2)CC1=O ZINC000844570081 653809157 /nfs/dbraw/zinc/80/91/57/653809157.db2.gz SMBBUXFRYJRUHP-UHFFFAOYSA-N 1 0 375.325 2.396 20 0 GEADRO O=C(Cc1cccnc1Br)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000791364401 653811065 /nfs/dbraw/zinc/81/10/65/653811065.db2.gz NNAXMPWJPIWBAV-ZDUSSCGKSA-N 1 0 382.302 2.004 20 0 GEADRO Cc1[nH+]ccc(N2CCc3c(cccc3S(N)(=O)=O)C2)c1Br ZINC000895031385 653813415 /nfs/dbraw/zinc/81/34/15/653813415.db2.gz YUMLSPQJNPNVOM-UHFFFAOYSA-N 1 0 382.283 2.363 20 0 GEADRO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000866710690 653813761 /nfs/dbraw/zinc/81/37/61/653813761.db2.gz SXAYPFPSXFVQFL-SOUVJXGZSA-N 1 0 376.507 2.239 20 0 GEADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N=S(=O)(CC)CC ZINC000866718606 653814869 /nfs/dbraw/zinc/81/48/69/653814869.db2.gz LOYHPVMKLUVAJZ-UHFFFAOYSA-N 1 0 375.560 2.323 20 0 GEADRO O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1ccc(I)cc1 ZINC000866720649 653815340 /nfs/dbraw/zinc/81/53/40/653815340.db2.gz NCOBWQGGDOKIEU-KBPBESRZSA-N 1 0 385.249 2.056 20 0 GEADRO O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1cccc(I)c1 ZINC000866721372 653815445 /nfs/dbraw/zinc/81/54/45/653815445.db2.gz VQIQSFWBYYBTMH-KBPBESRZSA-N 1 0 385.249 2.056 20 0 GEADRO O=C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1ccc(I)cc1 ZINC000866720652 653815465 /nfs/dbraw/zinc/81/54/65/653815465.db2.gz NCOBWQGGDOKIEU-UONOGXRCSA-N 1 0 385.249 2.056 20 0 GEADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1nc(Br)nn1C ZINC000895075439 653816073 /nfs/dbraw/zinc/81/60/73/653816073.db2.gz WSFFBDJGWMWOBM-ZJUUUORDSA-N 1 0 376.299 2.359 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC1CCC([NH3+])CC1 ZINC000866737012 653817107 /nfs/dbraw/zinc/81/71/07/653817107.db2.gz ADVJSHPMTYLIMA-UHFFFAOYSA-N 1 0 377.304 2.147 20 0 GEADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000866737109 653817150 /nfs/dbraw/zinc/81/71/50/653817150.db2.gz AYPROWGKYWLCDM-VIFPVBQESA-N 1 0 390.328 2.418 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000866741857 653817675 /nfs/dbraw/zinc/81/76/75/653817675.db2.gz JFHCHACTTXOBFG-UHFFFAOYSA-N 1 0 379.320 2.204 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866742509 653818025 /nfs/dbraw/zinc/81/80/25/653818025.db2.gz ZQYZWFINMRHFAD-NEPJUHHUSA-N 1 0 389.315 2.114 20 0 GEADRO C[C@@H](C[NH2+]Cc1c(I)cnn1C)C(=O)OC(C)(C)C ZINC000895187947 653822191 /nfs/dbraw/zinc/82/21/91/653822191.db2.gz JNUJWTSJYUBMOE-VIFPVBQESA-N 1 0 379.242 2.092 20 0 GEADRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895238337 653824137 /nfs/dbraw/zinc/82/41/37/653824137.db2.gz YQPDXKYKTGOWIQ-MNDBLIDSSA-N 1 0 377.963 2.412 20 0 GEADRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895238338 653824334 /nfs/dbraw/zinc/82/43/34/653824334.db2.gz YQPDXKYKTGOWIQ-RSPIHXBNSA-N 1 0 377.963 2.412 20 0 GEADRO CCOC(=O)c1nc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000895245536 653824670 /nfs/dbraw/zinc/82/46/70/653824670.db2.gz BMAKIXKSZHYPOP-DGCLKSJQSA-N 1 0 385.306 2.067 20 0 GEADRO CC(C)n1ncc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1Br ZINC000866783697 653825446 /nfs/dbraw/zinc/82/54/46/653825446.db2.gz SHIIVJOPDKNEIM-CYBMUJFWSA-N 1 0 387.322 2.193 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895300190 653826593 /nfs/dbraw/zinc/82/65/93/653826593.db2.gz JIFCKYNAJUQWRD-FZMZJTMJSA-N 1 0 384.274 2.217 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC(C)=NO1 ZINC000895300189 653826628 /nfs/dbraw/zinc/82/66/28/653826628.db2.gz JIFCKYNAJUQWRD-BXUZGUMPSA-N 1 0 384.274 2.217 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c(C)c1Cl ZINC000866794090 653827384 /nfs/dbraw/zinc/82/73/84/653827384.db2.gz NWSOMOLDLOOFIO-MGCOHNPYSA-N 1 0 380.919 2.292 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2F)[C@@H](C)C1 ZINC000866796868 653827994 /nfs/dbraw/zinc/82/79/94/653827994.db2.gz MBJBMIKXRWOSLW-STQMWFEESA-N 1 0 393.912 2.289 20 0 GEADRO CCOC(=O)Cn1cc(C[NH2+]CC2SCCS2)c(-c2cccnc2)n1 ZINC000895334862 653828336 /nfs/dbraw/zinc/82/83/36/653828336.db2.gz HXAMNLJPYKHXQY-UHFFFAOYSA-N 1 0 378.523 2.404 20 0 GEADRO O=C1N(CC[NH2+]Cc2cnc3ccc(Br)cn23)C[C@H]2CCCCN12 ZINC000895341079 653829096 /nfs/dbraw/zinc/82/90/96/653829096.db2.gz FHTZTLGVCZFMTM-CQSZACIVSA-N 1 0 392.301 2.477 20 0 GEADRO O=C1N(CC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@@H]2CCCCN12 ZINC000895346709 653829369 /nfs/dbraw/zinc/82/93/69/653829369.db2.gz VHFLEISSIZFNDR-HNNXBMFYSA-N 1 0 392.301 2.477 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000883152855 653830571 /nfs/dbraw/zinc/83/05/71/653830571.db2.gz JMWFBRGVFDBDCY-UHFFFAOYSA-N 1 0 378.274 2.192 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000866813127 653831259 /nfs/dbraw/zinc/83/12/59/653831259.db2.gz QRRRNHAPNHHJGR-VIFPVBQESA-N 1 0 395.294 2.263 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2nc(C(N)=O)cs2)C[C@H]1C(F)(F)F ZINC000895394523 653832221 /nfs/dbraw/zinc/83/22/21/653832221.db2.gz PWNBNAZYXYBVKF-OPRDCNLKSA-N 1 0 379.404 2.242 20 0 GEADRO Cc1cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cnc1Br ZINC000822579925 653832352 /nfs/dbraw/zinc/83/23/52/653832352.db2.gz CLJDGCUSPVHWQK-UHFFFAOYSA-N 1 0 382.302 2.479 20 0 GEADRO COCCC1(NS(=O)(=O)c2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000866821473 653832512 /nfs/dbraw/zinc/83/25/12/653832512.db2.gz GLQRAKBPCUMWCJ-UHFFFAOYSA-N 1 0 395.294 2.025 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000866821035 653832548 /nfs/dbraw/zinc/83/25/48/653832548.db2.gz OIQUCPVNVDKNOD-UHFFFAOYSA-N 1 0 391.331 2.195 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC000866820938 653832558 /nfs/dbraw/zinc/83/25/58/653832558.db2.gz ZILISEKAVSAYQW-NHYWBVRUSA-N 1 0 387.889 2.281 20 0 GEADRO COCCC1(NS(=O)(=O)c2cc(C)ccc2Br)CC[NH2+]CC1 ZINC000866821387 653832565 /nfs/dbraw/zinc/83/25/65/653832565.db2.gz CECNHIXTAVSQQP-UHFFFAOYSA-N 1 0 391.331 2.195 20 0 GEADRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cnc(Br)cn1 ZINC000895408111 653833226 /nfs/dbraw/zinc/83/32/26/653833226.db2.gz OKZLYXYVVOHMFC-LLVKDONJSA-N 1 0 389.253 2.404 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1ccccc1I ZINC000883300986 653834867 /nfs/dbraw/zinc/83/48/67/653834867.db2.gz NIYWZNBUAABCTA-LBPRGKRZSA-N 1 0 379.263 2.348 20 0 GEADRO CS(=O)(=O)C1(c2nc(-c3ccccc3C(F)(F)F)no2)CC[NH2+]CC1 ZINC000822649971 653835096 /nfs/dbraw/zinc/83/50/96/653835096.db2.gz LMCJIYVTKNSIMJ-UHFFFAOYSA-N 1 0 375.372 2.379 20 0 GEADRO Cc1cc([C@H](C)NCc2nnc3c(=O)n(C)ccn23)sc1Br ZINC000883331750 653835521 /nfs/dbraw/zinc/83/55/21/653835521.db2.gz FWRMUYQQUSVNSL-VIFPVBQESA-N 1 0 382.287 2.411 20 0 GEADRO CN(CC[NH2+][C@H]1CCc2c1cc(Br)cc2F)CCOCCO ZINC000883349430 653836575 /nfs/dbraw/zinc/83/65/75/653836575.db2.gz BFCCKFMBGXKQPJ-INIZCTEOSA-N 1 0 375.282 2.106 20 0 GEADRO Cc1nc(C)c(CC(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)s1 ZINC000895468363 653836805 /nfs/dbraw/zinc/83/68/05/653836805.db2.gz TZKOFTUMBKAFAE-OAHLLOKOSA-N 1 0 378.567 2.469 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883362151 653837383 /nfs/dbraw/zinc/83/73/83/653837383.db2.gz VKXZVEGARFJYLS-JOYOIKCWSA-N 1 0 390.374 2.160 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)CCCC(F)(F)F)c1 ZINC000895488210 653838017 /nfs/dbraw/zinc/83/80/17/653838017.db2.gz VNAOPDGQUDICML-NSHDSACASA-N 1 0 381.420 2.244 20 0 GEADRO COC(=O)CCN(Cc1cccc(Br)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000792328257 653839975 /nfs/dbraw/zinc/83/99/75/653839975.db2.gz UNGHYINXCBBKKR-KRWDZBQOSA-N 1 0 399.329 2.271 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)[C@@H]1c1cccs1 ZINC000883452843 653840242 /nfs/dbraw/zinc/84/02/42/653840242.db2.gz FLZHUQBHDUWVFY-RZLSGREXSA-N 1 0 385.555 2.006 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1cc(F)ccc1Br ZINC000883470719 653840969 /nfs/dbraw/zinc/84/09/69/653840969.db2.gz FIKQIKCFDSSDHB-UHFFFAOYSA-N 1 0 393.200 2.490 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N(CCC[NH3+])CC(F)(F)F ZINC000883470668 653841061 /nfs/dbraw/zinc/84/10/61/653841061.db2.gz CFNFRCSQMQCDJO-UHFFFAOYSA-N 1 0 388.795 2.028 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000883471589 653841309 /nfs/dbraw/zinc/84/13/09/653841309.db2.gz RMYDRLPLGMSGBD-UHFFFAOYSA-N 1 0 380.310 2.238 20 0 GEADRO CCOC(=O)c1ncc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)s1 ZINC000895579784 653841677 /nfs/dbraw/zinc/84/16/77/653841677.db2.gz ABGKIVSZEZVVKZ-UHFFFAOYSA-N 1 0 378.441 2.366 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000883473787 653841703 /nfs/dbraw/zinc/84/17/03/653841703.db2.gz NDEWNJIEWCJGKY-GFCCVEGCSA-N 1 0 389.315 2.414 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[NH2+]CCC12CCC2 ZINC000883478353 653842104 /nfs/dbraw/zinc/84/21/04/653842104.db2.gz FWZSUAQLVOESHP-UHFFFAOYSA-N 1 0 394.722 2.404 20 0 GEADRO C[S@@](=O)(=NS(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000866881036 653842158 /nfs/dbraw/zinc/84/21/58/653842158.db2.gz YMEFJQCVRMNEQA-GYCJOSAFSA-N 1 0 385.555 2.196 20 0 GEADRO Cc1nc2ccc(-c3noc(C4(S(C)(=O)=O)CC[NH2+]CC4)n3)cc2s1 ZINC000822835889 653842186 /nfs/dbraw/zinc/84/21/86/653842186.db2.gz FQWOSDOSBVSKME-UHFFFAOYSA-N 1 0 378.479 2.278 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)c1cnn(C(C)(C)C)c1I ZINC000895592849 653842506 /nfs/dbraw/zinc/84/25/06/653842506.db2.gz UWGVFROMNDGPPB-UHFFFAOYSA-N 1 0 392.285 2.313 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000895597863 653842741 /nfs/dbraw/zinc/84/27/41/653842741.db2.gz BGSFTPMXHDQINR-UHFFFAOYSA-N 1 0 390.269 2.173 20 0 GEADRO CC(C)[NH+]1CCN(CCCOC(=O)c2nscc2Br)CC1 ZINC000845313216 653843093 /nfs/dbraw/zinc/84/30/93/653843093.db2.gz XJUXEOPHKSBDKZ-UHFFFAOYSA-N 1 0 376.320 2.479 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000822891645 653844905 /nfs/dbraw/zinc/84/49/05/653844905.db2.gz AQOCIWIUMFTHGY-UHFFFAOYSA-N 1 0 385.965 2.151 20 0 GEADRO CN(C(=O)Nc1ccncc1I)C1(C[NH3+])CCCCC1 ZINC000883553032 653845462 /nfs/dbraw/zinc/84/54/62/653845462.db2.gz INWPGTMPYKYXHJ-UHFFFAOYSA-N 1 0 388.253 2.233 20 0 GEADRO CO[C@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)[C@H]1CCOC1 ZINC000895693747 653846165 /nfs/dbraw/zinc/84/61/65/653846165.db2.gz BRWKSDDHYOWQCJ-APHBMKBZSA-N 1 0 383.286 2.344 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F)C2 ZINC000883576044 653846277 /nfs/dbraw/zinc/84/62/77/653846277.db2.gz XGKNKJOTIBYNMU-SKDRFNHKSA-N 1 0 378.420 2.170 20 0 GEADRO COc1ccc(Br)cc1-c1noc(-c2cn(CCC[NH3+])nn2)n1 ZINC000822937219 653846480 /nfs/dbraw/zinc/84/64/80/653846480.db2.gz MNGNFZNCVXNTCK-UHFFFAOYSA-N 1 0 379.218 2.115 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593534 653847113 /nfs/dbraw/zinc/84/71/13/653847113.db2.gz LMEQJSSHTQODAA-LLVKDONJSA-N 1 0 383.246 2.042 20 0 GEADRO CCc1ccc(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)cc1Cl ZINC000883622806 653847941 /nfs/dbraw/zinc/84/79/41/653847941.db2.gz ANTRPNDOQGYEEJ-UHFFFAOYSA-N 1 0 378.885 2.341 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000883626904 653848417 /nfs/dbraw/zinc/84/84/17/653848417.db2.gz LKRNARVRSGSLMY-UHFFFAOYSA-N 1 0 395.301 2.390 20 0 GEADRO CN(Cc1cscc1Br)C(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000883638067 653848758 /nfs/dbraw/zinc/84/87/58/653848758.db2.gz CCPVFTGLXZVUIH-UHFFFAOYSA-N 1 0 388.331 2.197 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2cscc2Br)CC[C@H]1[NH3+] ZINC000883638508 653848778 /nfs/dbraw/zinc/84/87/78/653848778.db2.gz OLINUXBLFVODRM-GXFFZTMASA-N 1 0 388.331 2.055 20 0 GEADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cscc2Br)[C@@H]1C[NH3+] ZINC000883639970 653849164 /nfs/dbraw/zinc/84/91/64/653849164.db2.gz CZYYTGHWUJHIGB-GXFFZTMASA-N 1 0 388.331 2.055 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000895769125 653849766 /nfs/dbraw/zinc/84/97/66/653849766.db2.gz NBUHJEXURQACNU-MRXNPFEDSA-N 1 0 390.281 2.382 20 0 GEADRO Brc1ccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)nc1 ZINC000823006409 653850063 /nfs/dbraw/zinc/85/00/63/653850063.db2.gz HPLNSMMGZFVHQS-SNVBAGLBSA-N 1 0 376.218 2.077 20 0 GEADRO O=C(NCCc1sccc1Br)NCC[N@@H+]1CCCOCC1 ZINC000883710164 653851357 /nfs/dbraw/zinc/85/13/57/653851357.db2.gz CMHJMNZNQMRSRB-UHFFFAOYSA-N 1 0 376.320 2.075 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000792848955 653854219 /nfs/dbraw/zinc/85/42/19/653854219.db2.gz JWRVVBVGDMXMGT-UHFFFAOYSA-N 1 0 378.514 2.062 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)c1nc(-c2cccn3c(I)cnc23)no1 ZINC000823116685 653854445 /nfs/dbraw/zinc/85/44/45/653854445.db2.gz YOLQTMXICDNUTJ-JGVFFNPUSA-N 1 0 383.193 2.440 20 0 GEADRO C[C@H](NC(=O)Cc1noc([C@H]2C[NH2+]CCO2)n1)c1ccc(Cl)cc1Cl ZINC000823128741 653854772 /nfs/dbraw/zinc/85/47/72/653854772.db2.gz LVJHUUKXIWCAHQ-TVQRCGJNSA-N 1 0 385.251 2.457 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000823132456 653855139 /nfs/dbraw/zinc/85/51/39/653855139.db2.gz FHQGELZGQFAFON-AAEUAGOBSA-N 1 0 380.286 2.428 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000823133671 653855144 /nfs/dbraw/zinc/85/51/44/653855144.db2.gz PCNMAIXLQNAHLX-JSGCOSHPSA-N 1 0 380.286 2.428 20 0 GEADRO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000895888227 653855637 /nfs/dbraw/zinc/85/56/37/653855637.db2.gz QPOSPBSYOUUONH-UHFFFAOYSA-N 1 0 382.869 2.391 20 0 GEADRO COC[C@]1(c2nc(-c3cc(Br)c(C)nc3OC)no2)CC[NH2+]C1 ZINC000823153024 653855775 /nfs/dbraw/zinc/85/57/75/653855775.db2.gz SIZBRBNXPCGYQG-HNNXBMFYSA-N 1 0 383.246 2.089 20 0 GEADRO C[NH+](C)CC[C@H](Nc1ccc2nnc(Br)n2n1)c1cccnc1 ZINC000895890064 653856107 /nfs/dbraw/zinc/85/61/07/653856107.db2.gz BXBMCBRKWXCILF-LBPRGKRZSA-N 1 0 376.262 2.387 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)nc1Br ZINC000792953585 653857350 /nfs/dbraw/zinc/85/73/50/653857350.db2.gz RLOZNJVEJJNOBP-DGCLKSJQSA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+](C)CCN1CCN(c2ccc3ccc(Br)cc3n2)CC1=O ZINC000845629957 653857436 /nfs/dbraw/zinc/85/74/36/653857436.db2.gz LVXXHMROAOZXMO-UHFFFAOYSA-N 1 0 377.286 2.208 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000895942666 653857929 /nfs/dbraw/zinc/85/79/29/653857929.db2.gz SQFPQGJKTVZVRZ-UHFFFAOYSA-N 1 0 383.286 2.055 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)nc1Br ZINC000792967569 653857931 /nfs/dbraw/zinc/85/79/31/653857931.db2.gz BMSWYDOYZGGYLE-GFCCVEGCSA-N 1 0 397.317 2.329 20 0 GEADRO Cc1ccc(CCC[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 ZINC000792976781 653858505 /nfs/dbraw/zinc/85/85/05/653858505.db2.gz URFLXNSFYQFUNQ-UHFFFAOYSA-N 1 0 379.448 2.474 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)nc1Br ZINC000792984763 653859259 /nfs/dbraw/zinc/85/92/59/653859259.db2.gz JMYRKGHPWGTMJS-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO CC(C)(Cc1ccc(Br)cc1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000884005498 653860078 /nfs/dbraw/zinc/86/00/78/653860078.db2.gz JNTNUSLGGJPKHJ-UHFFFAOYSA-N 1 0 382.346 2.429 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)Nc2ccccc2C[NH2+]C)cs1)C(N)=O ZINC000884013183 653860404 /nfs/dbraw/zinc/86/04/04/653860404.db2.gz DKJWJDXEUMZUOR-CQSZACIVSA-N 1 0 378.523 2.400 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000896010916 653860593 /nfs/dbraw/zinc/86/05/93/653860593.db2.gz YFGIXHFGBMXKOS-CQSZACIVSA-N 1 0 389.315 2.464 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884020636 653860647 /nfs/dbraw/zinc/86/06/47/653860647.db2.gz DRSXSRXEALENRY-VIFPVBQESA-N 1 0 384.665 2.104 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)C[C@H]1C(F)(F)F ZINC000896008287 653860723 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CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884070614 653862443 /nfs/dbraw/zinc/86/24/43/653862443.db2.gz RPFGQVVHTRSOEX-AWEZNQCLSA-N 1 0 382.302 2.166 20 0 GEADRO CN(CC(=O)OC[C@@]12CC[N@H+](C1)CCC2)C(=O)c1ccc(Br)o1 ZINC000845796470 653863892 /nfs/dbraw/zinc/86/38/92/653863892.db2.gz WYRCAMDJIVRGOC-INIZCTEOSA-N 1 0 385.258 2.143 20 0 GEADRO CC(C)N1C(=S)N=NC1CCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884128510 653865003 /nfs/dbraw/zinc/86/50/03/653865003.db2.gz GGVSFFCVHQDTGM-CYBMUJFWSA-N 1 0 398.330 2.269 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000884121705 653865007 /nfs/dbraw/zinc/86/50/07/653865007.db2.gz WAXQCCFUCHHADI-GFCCVEGCSA-N 1 0 378.274 2.096 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)N=[S@@](C)(=O)c3ccccc3)C2)CC1 ZINC000867012490 653865480 /nfs/dbraw/zinc/86/54/80/653865480.db2.gz MLVUWYWXGGMXBX-GYCJOSAFSA-N 1 0 385.555 2.052 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000884146710 653865621 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CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC[C@H]1[NH3+] ZINC000884270311 653869868 /nfs/dbraw/zinc/86/98/68/653869868.db2.gz KJOSDCKRVHOEOV-KMUNFCNLSA-N 1 0 381.270 2.116 20 0 GEADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCC2(CC[NH2+]C2)CC1 ZINC000884294291 653870887 /nfs/dbraw/zinc/87/08/87/653870887.db2.gz XPIZOHWPXYJMMH-HNNXBMFYSA-N 1 0 393.281 2.133 20 0 GEADRO O=C1COc2ccccc2CN1CC[NH2+]Cc1ncc(Br)cc1O ZINC000896279679 653872374 /nfs/dbraw/zinc/87/23/74/653872374.db2.gz DYMRPVFJOGZQMO-UHFFFAOYSA-N 1 0 392.253 2.061 20 0 GEADRO [NH3+][C@@H](C(=O)NCCNC(=O)NC1CCCCC1)c1ccc(Br)cc1 ZINC000884327799 653872395 /nfs/dbraw/zinc/87/23/95/653872395.db2.gz BPIRXWYLDBLNOM-OAHLLOKOSA-N 1 0 397.317 2.197 20 0 GEADRO [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N1CCn2c(Br)cnc2C1 ZINC000884325714 653872411 /nfs/dbraw/zinc/87/24/11/653872411.db2.gz YSVUEMAHUUIYBP-CYBMUJFWSA-N 1 0 389.253 2.304 20 0 GEADRO C[NH+](C)C[C@H](CNS(=O)(=O)c1c[nH]nc1Cl)c1ccc(Cl)cc1 ZINC000845956171 653872546 /nfs/dbraw/zinc/87/25/46/653872546.db2.gz UZZGTEFQDXGBHK-NSHDSACASA-N 1 0 377.297 2.340 20 0 GEADRO Cn1c(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)nnc1C1CCC1 ZINC000884332095 653872719 /nfs/dbraw/zinc/87/27/19/653872719.db2.gz DZLPLGPYYFIAPJ-CQSZACIVSA-N 1 0 378.274 2.161 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(Br)cc1 ZINC000884350753 653873742 /nfs/dbraw/zinc/87/37/42/653873742.db2.gz ZTVHMGIEUFBCFG-RBSFLKMASA-N 1 0 382.302 2.258 20 0 GEADRO [NH3+][C@H](C(=O)N1CCc2cc(Cl)nnc2C1)c1ccc(Br)cc1 ZINC000884373286 653874437 /nfs/dbraw/zinc/87/44/37/653874437.db2.gz INXBXLVPBTZOSB-AWEZNQCLSA-N 1 0 381.661 2.477 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884371564 653874444 /nfs/dbraw/zinc/87/44/44/653874444.db2.gz QXZBNAROWZEJMK-ZFWWWQNUSA-N 1 0 393.281 2.322 20 0 GEADRO C[C@](O)(C(=O)N[C@H]1CCn2cncc2C1)c1ccc(F)c(Br)c1 ZINC000823635380 653874935 /nfs/dbraw/zinc/87/49/35/653874935.db2.gz XXYSRHQQQBNSQV-MEDUHNTESA-N 1 0 382.233 2.123 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C(=O)O1 ZINC000896336377 653874966 /nfs/dbraw/zinc/87/49/66/653874966.db2.gz YLNCFMWQTBGKIC-IUODEOHRSA-N 1 0 398.301 2.226 20 0 GEADRO C[C@@](O)(C(=O)N[C@H]1CCn2cncc2C1)c1ccc(F)c(Br)c1 ZINC000823635381 653875090 /nfs/dbraw/zinc/87/50/90/653875090.db2.gz XXYSRHQQQBNSQV-ZBEGNZNMSA-N 1 0 382.233 2.123 20 0 GEADRO C[C@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000884389559 653875052 /nfs/dbraw/zinc/87/50/52/653875052.db2.gz BBRSHRZXTGREKA-NFFDBFGFSA-N 1 0 384.318 2.063 20 0 GEADRO Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884390316 653875102 /nfs/dbraw/zinc/87/51/02/653875102.db2.gz SQQBDBVUQCXCEK-WMLDXEAASA-N 1 0 390.281 2.341 20 0 GEADRO C[NH2+]CCOc1ccccc1C(=O)NCc1cc(Br)cnc1OC ZINC000884433321 653876513 /nfs/dbraw/zinc/87/65/13/653876513.db2.gz GDSYEBVMPFVUEH-UHFFFAOYSA-N 1 0 394.269 2.381 20 0 GEADRO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)c1nn2c(c1Br)CCC2 ZINC000884438585 653876943 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COC(=O)C[C@@]1([NH2+]Cc2cccc(I)c2)CCCOC1 ZINC000793591915 653880758 /nfs/dbraw/zinc/88/07/58/653880758.db2.gz SDUKVLMXGXHEGP-HNNXBMFYSA-N 1 0 389.233 2.493 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@]2(C1)CCCOC2 ZINC000793620339 653881067 /nfs/dbraw/zinc/88/10/67/653881067.db2.gz OFVMSUGQCJRYCY-PBHICJAKSA-N 1 0 387.933 2.207 20 0 GEADRO O=C(c1c[nH]nc1I)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000896494701 653881542 /nfs/dbraw/zinc/88/15/42/653881542.db2.gz BQHYQLONMDEUJX-LLVKDONJSA-N 1 0 388.253 2.105 20 0 GEADRO C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896541527 653883620 /nfs/dbraw/zinc/88/36/20/653883620.db2.gz KNKXHMZIYFDEAX-HZMBPMFUSA-N 1 0 390.272 2.020 20 0 GEADRO C[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@H]1C[N@H+](C)CCN1C ZINC000896541529 653883630 /nfs/dbraw/zinc/88/36/30/653883630.db2.gz KNKXHMZIYFDEAX-QMTHXVAHSA-N 1 0 390.272 2.020 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896550082 653884692 /nfs/dbraw/zinc/88/46/92/653884692.db2.gz QUEDIMONGLEIMQ-XJKSGUPXSA-N 1 0 398.345 2.141 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000884697731 653884875 /nfs/dbraw/zinc/88/48/75/653884875.db2.gz DPHSWMGLXRTLIY-JTQLQIEISA-N 1 0 377.819 2.047 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896551365 653884890 /nfs/dbraw/zinc/88/48/90/653884890.db2.gz YOJOJQZQFYDPPV-CPUCHLNUSA-N 1 0 382.346 2.378 20 0 GEADRO C[C@H](NC(=O)c1c[nH]c2cccc(Br)c12)[C@@H]1C[N@H+](C)CCN1C ZINC000896552467 653885042 /nfs/dbraw/zinc/88/50/42/653885042.db2.gz MLJDLNRWKSMOGA-NHYWBVRUSA-N 1 0 379.302 2.295 20 0 GEADRO C[C@@H](NC(=O)c1cc(Br)cc2cccnc21)[C@H]1C[N@H+](C)CCN1C ZINC000896554967 653885067 /nfs/dbraw/zinc/88/50/67/653885067.db2.gz XXESNXSVLVIHTJ-MLGOLLRUSA-N 1 0 391.313 2.361 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000884703524 653885246 /nfs/dbraw/zinc/88/52/46/653885246.db2.gz CKRZMEAOGMPRJD-LLVKDONJSA-N 1 0 378.270 2.072 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000884712048 653885590 /nfs/dbraw/zinc/88/55/90/653885590.db2.gz GMPXOQKDKQGFQW-UHFFFAOYSA-N 1 0 380.798 2.004 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)C(F)(F)F)n1 ZINC000824083705 653885725 /nfs/dbraw/zinc/88/57/25/653885725.db2.gz AXORVNZRHPQACO-UEKVPHQBSA-N 1 0 379.448 2.436 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000896570471 653886131 /nfs/dbraw/zinc/88/61/31/653886131.db2.gz YWNICOIJSXHIFS-IIAWOOMASA-N 1 0 398.345 2.275 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884723938 653886418 /nfs/dbraw/zinc/88/64/18/653886418.db2.gz DMQBRVIEHFDXOK-GXSJLCMTSA-N 1 0 377.794 2.219 20 0 GEADRO CC(=O)N1CSC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000846103070 653887225 /nfs/dbraw/zinc/88/72/25/653887225.db2.gz YBHSAQLUEYFCGZ-RDJZCZTQSA-N 1 0 381.567 2.258 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867172138 653888404 /nfs/dbraw/zinc/88/84/04/653888404.db2.gz PUJDLOPXBIIAMS-DEOSSOPVSA-N 1 0 391.534 2.335 20 0 GEADRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000824249994 653889435 /nfs/dbraw/zinc/88/94/35/653889435.db2.gz DOYBTGZAOOOZGE-SJCJKPOMSA-N 1 0 386.539 2.498 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc(Br)cc2-c2nn[nH]n2)C1 ZINC000824262027 653889737 /nfs/dbraw/zinc/88/97/37/653889737.db2.gz UHPSFGZCEDUSHR-CYBMUJFWSA-N 1 0 395.305 2.398 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)C[C@H]1C(F)(F)F ZINC000884796298 653890125 /nfs/dbraw/zinc/89/01/25/653890125.db2.gz GLUCEFIZPHLHRD-VHSXEESVSA-N 1 0 398.212 2.205 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000824292674 653890699 /nfs/dbraw/zinc/89/06/99/653890699.db2.gz RZLNKWTVDSMNGW-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000846221733 653891827 /nfs/dbraw/zinc/89/18/27/653891827.db2.gz DLPASLFBVXXGCW-QGPMSJSTSA-N 1 0 386.945 2.332 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)[C@@H]1CC[NH3+] ZINC000846230358 653892123 /nfs/dbraw/zinc/89/21/23/653892123.db2.gz GPDKOEZPBGKRSW-SWLSCSKDSA-N 1 0 387.933 2.180 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@@H]1CCC(=O)N1 ZINC000824378771 653893697 /nfs/dbraw/zinc/89/36/97/653893697.db2.gz BQTPVMPRYCIEEV-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884917673 653894656 /nfs/dbraw/zinc/89/46/56/653894656.db2.gz LGNOXESNWQNWDV-UMSPYCQHSA-N 1 0 388.331 2.103 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)ccc1Br ZINC000884951466 653897362 /nfs/dbraw/zinc/89/73/62/653897362.db2.gz DVXSTEBCXBJITB-RYUDHWBXSA-N 1 0 377.279 2.493 20 0 GEADRO CN(C)[C@@H](CC[NH2+]Cc1cnn2cc(Br)cnc12)C(F)(F)F ZINC000896879428 653898261 /nfs/dbraw/zinc/89/82/61/653898261.db2.gz VKVASBZVUUJJNM-NSHDSACASA-N 1 0 380.212 2.464 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000884958874 653898330 /nfs/dbraw/zinc/89/83/30/653898330.db2.gz FSGIMASBPBYCEC-NWDGAFQWSA-N 1 0 387.889 2.423 20 0 GEADRO COCCOC1(C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)CCOCC1 ZINC000824590283 653902135 /nfs/dbraw/zinc/90/21/35/653902135.db2.gz MEDTZYNCLVMCEI-UHFFFAOYSA-N 1 0 385.814 2.394 20 0 GEADRO CC[C@H](C)[C@@H](C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)OC ZINC000824596066 653902587 /nfs/dbraw/zinc/90/25/87/653902587.db2.gz FVBMCSJCMJDBLM-CORIIIEPSA-N 1 0 377.938 2.355 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2scnc2Br)CC1 ZINC000794337854 653903978 /nfs/dbraw/zinc/90/39/78/653903978.db2.gz BKFKXYIIJVNFST-UHFFFAOYSA-N 1 0 383.271 2.272 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1nc[nH]c1Br ZINC000867263553 653904890 /nfs/dbraw/zinc/90/48/90/653904890.db2.gz PPZDQRVGHYJSLC-UHFFFAOYSA-N 1 0 379.324 2.059 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867262961 653904984 /nfs/dbraw/zinc/90/49/84/653904984.db2.gz IGQJTTGJELULTP-UHFFFAOYSA-N 1 0 382.452 2.326 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(C)cnc2Cl)CC1 ZINC000885004145 653905416 /nfs/dbraw/zinc/90/54/16/653905416.db2.gz SBJBOTZTXNDHBA-UHFFFAOYSA-N 1 0 375.922 2.211 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cc(I)ccc2F)CC1 ZINC000846647811 653905540 /nfs/dbraw/zinc/90/55/40/653905540.db2.gz QGGSLBGJLPRYIP-UHFFFAOYSA-N 1 0 378.185 2.186 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)ccc1Br ZINC000846698691 653906588 /nfs/dbraw/zinc/90/65/88/653906588.db2.gz KNBOTXZCEPZFJP-KOLCDFICSA-N 1 0 375.288 2.152 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H]1CC[NH3+] ZINC000846696163 653906609 /nfs/dbraw/zinc/90/66/09/653906609.db2.gz XUGKLSJKKMYCTH-MLGOLLRUSA-N 1 0 387.933 2.180 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)([NH+](C)C)C1 ZINC000846726196 653907974 /nfs/dbraw/zinc/90/79/74/653907974.db2.gz SDUWGZZGIAXUMS-XFKAJCMBSA-N 1 0 375.916 2.434 20 0 GEADRO 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CC(C)c1ncc(Br)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC000885895859 653962633 /nfs/dbraw/zinc/96/26/33/653962633.db2.gz OWXMUQYIAAKGAA-ZDUSSCGKSA-N 1 0 397.317 2.346 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC000885895590 653962681 /nfs/dbraw/zinc/96/26/81/653962681.db2.gz IAGMUJSJNGFLFH-ZDUSSCGKSA-N 1 0 385.306 2.210 20 0 GEADRO O=c1ccn(CCC[NH2+][C@H]2CCc3cc(Br)ccc3C2)c(=O)[nH]1 ZINC000898328267 653963476 /nfs/dbraw/zinc/96/34/76/653963476.db2.gz JMPGKUITRZIQOT-HNNXBMFYSA-N 1 0 378.270 2.249 20 0 GEADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886008140 653965433 /nfs/dbraw/zinc/96/54/33/653965433.db2.gz HMMKSAQIHBLGQQ-GJZGRUSLSA-N 1 0 384.464 2.232 20 0 GEADRO C[C@H]1CN(C(=O)NCc2ncc(Br)cn2)CCN1c1cc[nH+]cc1 ZINC000898381414 653965891 /nfs/dbraw/zinc/96/58/91/653965891.db2.gz FZVKUESYUOAVAQ-LBPRGKRZSA-N 1 0 391.273 2.054 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccccc1OCC(F)F)CCO2 ZINC000886057816 653966059 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Cn1cc(NC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc(Br)c1=O ZINC000886935660 654009521 /nfs/dbraw/zinc/00/95/21/654009521.db2.gz SBSOLVDJIWSWOL-INIZCTEOSA-N 1 0 383.290 2.145 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000886927561 654009644 /nfs/dbraw/zinc/00/96/44/654009644.db2.gz MGPJFRGTFVMERG-VIFPVBQESA-N 1 0 383.367 2.049 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(c2ccccn2)CC1)c1cccc(Br)c1 ZINC000867953821 654010113 /nfs/dbraw/zinc/01/01/13/654010113.db2.gz FHSALQLHUGOFFD-INIZCTEOSA-N 1 0 375.270 2.193 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H]1CCN(c2ncccc2F)C1)c1cccc(Br)c1 ZINC000867959414 654010733 /nfs/dbraw/zinc/01/07/33/654010733.db2.gz YMNRLFUXRTWHGE-HIFRSBDPSA-N 1 0 393.260 2.378 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000867960168 654010764 /nfs/dbraw/zinc/01/07/64/654010764.db2.gz JTEVLILOAYCDFM-RLCCDNCMSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1I ZINC000867971613 654012149 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CCN(C(=O)C(=O)Nc1ccc(Br)c2cccnc12)[C@@H]1CC[NH2+]C1 ZINC000887007980 654014718 /nfs/dbraw/zinc/01/47/18/654014718.db2.gz XUJGPNORLBXHEF-LLVKDONJSA-N 1 0 391.269 2.146 20 0 GEADRO COC[C@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000868024486 654014888 /nfs/dbraw/zinc/01/48/88/654014888.db2.gz ODUVXQNKIWSCNA-STQMWFEESA-N 1 0 377.229 2.498 20 0 GEADRO O=C(NCCc1cn2c(n1)CCCC2)NCc1ccc(Br)cn1 ZINC000868036455 654015507 /nfs/dbraw/zinc/01/55/07/654015507.db2.gz ZFLUJCSMMHYBRN-UHFFFAOYSA-N 1 0 378.274 2.419 20 0 GEADRO COCCC1(NC(=O)[C@H](OC)c2ccccc2Br)CC[NH2+]CC1 ZINC000868043840 654015823 /nfs/dbraw/zinc/01/58/23/654015823.db2.gz VEVDHDUUESXHOL-OAHLLOKOSA-N 1 0 385.302 2.412 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1=O ZINC000828014369 654015825 /nfs/dbraw/zinc/01/58/25/654015825.db2.gz DSEMDYMEBQUKSU-UHFFFAOYSA-N 1 0 382.302 2.238 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000887033510 654015919 /nfs/dbraw/zinc/01/59/19/654015919.db2.gz RXGJAGXRAQPBMK-JTQLQIEISA-N 1 0 375.803 2.038 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887037296 654016186 /nfs/dbraw/zinc/01/61/86/654016186.db2.gz YPIJIMZXQJKTNA-KRWDZBQOSA-N 1 0 380.286 2.380 20 0 GEADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887041287 654016254 /nfs/dbraw/zinc/01/62/54/654016254.db2.gz WJGTYHUFLCGNCE-CQSZACIVSA-N 1 0 376.404 2.093 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Br)ncc1F ZINC000797096700 654018329 /nfs/dbraw/zinc/01/83/29/654018329.db2.gz PVMOAEQDLZXSIV-WDEREUQCSA-N 1 0 394.310 2.448 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000868126388 654019369 /nfs/dbraw/zinc/01/93/69/654019369.db2.gz SDIDUJXYNWYMSY-ZSBIGDGJSA-N 1 0 386.905 2.364 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000899564325 654022181 /nfs/dbraw/zinc/02/21/81/654022181.db2.gz SZUDPUZPFQMGKM-UHFFFAOYSA-N 1 0 398.301 2.249 20 0 GEADRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1CCCCOc1ccc(Br)cc1 ZINC000899633336 654025604 /nfs/dbraw/zinc/02/56/04/654025604.db2.gz UFOGAPVQLNHVBS-KRWDZBQOSA-N 1 0 396.285 2.282 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000849411330 654026615 /nfs/dbraw/zinc/02/66/15/654026615.db2.gz FJNZCRDZJHILLC-JTQLQIEISA-N 1 0 376.935 2.448 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000868283851 654027502 /nfs/dbraw/zinc/02/75/02/654027502.db2.gz IVIDUTLRXYXMLF-IINYFYTJSA-N 1 0 376.254 2.489 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000868285719 654027715 /nfs/dbraw/zinc/02/77/15/654027715.db2.gz MHXXXZABYDNMGM-KYZUINATSA-N 1 0 389.681 2.070 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 ZINC000868303786 654029091 /nfs/dbraw/zinc/02/90/91/654029091.db2.gz OIZCLZKJNOTCGK-OCAPTIKFSA-N 1 0 394.191 2.260 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000868304100 654029374 /nfs/dbraw/zinc/02/93/74/654029374.db2.gz YHBLMAFGTAOUFM-OTSSQURYSA-N 1 0 394.191 2.260 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000868306244 654029717 /nfs/dbraw/zinc/02/97/17/654029717.db2.gz PCDQYOZAEDLQMJ-CLLJXQQHSA-N 1 0 380.286 2.343 20 0 GEADRO C[N@H+](CCO)CCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000899728517 654030176 /nfs/dbraw/zinc/03/01/76/654030176.db2.gz QBUQRCNXHRBMSZ-UHFFFAOYSA-N 1 0 381.885 2.308 20 0 GEADRO C[N@H+](CCO)CCNC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000899731866 654030666 /nfs/dbraw/zinc/03/06/66/654030666.db2.gz ODCFFCBOMYNUTI-UHFFFAOYSA-N 1 0 397.269 2.275 20 0 GEADRO CN(CCC[NH3+])Cc1cn([C@@H]2CCOc3ccc(Br)cc32)nn1 ZINC000899739251 654030867 /nfs/dbraw/zinc/03/08/67/654030867.db2.gz FOUQPFVFBWXSEL-OAHLLOKOSA-N 1 0 380.290 2.193 20 0 GEADRO [NH3+]C1CCN(Cc2cn([C@@H]3CCOc4ccc(Br)cc43)nn2)CC1 ZINC000899738995 654030944 /nfs/dbraw/zinc/03/09/44/654030944.db2.gz COFIYQBGHXBEMJ-MRXNPFEDSA-N 1 0 392.301 2.336 20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc[nH]c(=O)c1Br ZINC000899809192 654032577 /nfs/dbraw/zinc/03/25/77/654032577.db2.gz LOMMBHBIMKSXOH-LLVKDONJSA-N 1 0 377.242 2.296 20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(N)nc(Br)c1 ZINC000899809901 654032888 /nfs/dbraw/zinc/03/28/88/654032888.db2.gz KHGSXFRFTJBIFM-LLVKDONJSA-N 1 0 376.258 2.172 20 0 GEADRO C[C@@H](c1ccc(F)c(Br)c1)n1cc(CC2(O)CC[NH2+]CC2)nn1 ZINC000887419189 654033869 /nfs/dbraw/zinc/03/38/69/654033869.db2.gz GLVAKKLNHVKYCG-NSHDSACASA-N 1 0 383.265 2.446 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]Cc2ccc(Cl)s2)CCC1 ZINC000899864918 654034784 /nfs/dbraw/zinc/03/47/84/654034784.db2.gz BEKBVSXRAPKOGX-GFCCVEGCSA-N 1 0 380.963 2.493 20 0 GEADRO Clc1ccc(Nc2nc(-c3cn(C[C@@H]4C[NH2+]CCO4)nn3)cs2)cn1 ZINC000887459115 654035380 /nfs/dbraw/zinc/03/53/80/654035380.db2.gz OWHWNUJXCCDHFV-NSHDSACASA-N 1 0 377.861 2.182 20 0 GEADRO Brc1cncc(-c2nc(-c3cn(CC4C[NH2+]C4)nn3)cs2)c1 ZINC000887532736 654038318 /nfs/dbraw/zinc/03/83/18/654038318.db2.gz QSKAIJGTCIZVOS-UHFFFAOYSA-N 1 0 377.271 2.446 20 0 GEADRO CCOC(=O)CS[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(F)(F)F ZINC000828504935 654038414 /nfs/dbraw/zinc/03/84/14/654038414.db2.gz YUUNRUOTMXTPOA-LBPRGKRZSA-N 1 0 382.448 2.206 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C1([NH+](C)C)CCC1 ZINC000797762900 654040363 /nfs/dbraw/zinc/04/03/63/654040363.db2.gz YPCLTPGFPGRPDU-UHFFFAOYSA-N 1 0 392.301 2.473 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Br)n(C)n1 ZINC000828554940 654041912 /nfs/dbraw/zinc/04/19/12/654041912.db2.gz IFLZPGCCTDTJTD-DOMZBBRYSA-N 1 0 377.286 2.433 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000828569658 654042476 /nfs/dbraw/zinc/04/24/76/654042476.db2.gz QRAOEODNCZTSMQ-BPQIPLTHSA-N 1 0 379.298 2.314 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000828591535 654043378 /nfs/dbraw/zinc/04/33/78/654043378.db2.gz KTXXBPLYBBCDIR-SMDDNHRTSA-N 1 0 378.416 2.392 20 0 GEADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Br)ccn2)cn1 ZINC000849612700 654046631 /nfs/dbraw/zinc/04/66/31/654046631.db2.gz NRNDBMZYOWAYHC-ZIAGYGMSSA-N 1 0 378.274 2.252 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2n[nH]cc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849612872 654046639 /nfs/dbraw/zinc/04/66/39/654046639.db2.gz NXNZRKKYZZMJGF-CHWSQXEVSA-N 1 0 395.305 2.358 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2n[nH]cc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849612878 654046643 /nfs/dbraw/zinc/04/66/43/654046643.db2.gz NXNZRKKYZZMJGF-STQMWFEESA-N 1 0 395.305 2.358 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000797957828 654047346 /nfs/dbraw/zinc/04/73/46/654047346.db2.gz UHHMJANUFPTXGU-CABCVRRESA-N 1 0 380.501 2.169 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000868637394 654047736 /nfs/dbraw/zinc/04/77/36/654047736.db2.gz XFWDNHWNMGXCMZ-XOYOTBSWSA-N 1 0 393.325 2.298 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000900080341 654048774 /nfs/dbraw/zinc/04/87/74/654048774.db2.gz LTVJDGDPFNLIQB-UHFFFAOYSA-N 1 0 390.269 2.268 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900237534 654056104 /nfs/dbraw/zinc/05/61/04/654056104.db2.gz MGRNCLWQGSWGKN-UHFFFAOYSA-N 1 0 382.291 2.374 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000900312202 654058739 /nfs/dbraw/zinc/05/87/39/654058739.db2.gz IBVSQVHSYNXUAJ-UHFFFAOYSA-N 1 0 398.345 2.360 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)C[C@]2(C)C1 ZINC000887926297 654059188 /nfs/dbraw/zinc/05/91/88/654059188.db2.gz CXMBYJDFQMDEHV-ABKXIKBNSA-N 1 0 379.258 2.055 20 0 GEADRO Cn1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(Br)n1 ZINC000829111151 654059549 /nfs/dbraw/zinc/05/95/49/654059549.db2.gz LODRMJRKLSVPJN-CYBMUJFWSA-N 1 0 378.274 2.428 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000900338775 654059842 /nfs/dbraw/zinc/05/98/42/654059842.db2.gz HPZVJGWXFPMZRQ-YOEHRIQHSA-N 1 0 383.286 2.236 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000900370964 654061155 /nfs/dbraw/zinc/06/11/55/654061155.db2.gz QGXWFQKMVAZSLL-WMZOPIPTSA-N 1 0 397.313 2.196 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000829226550 654062690 /nfs/dbraw/zinc/06/26/90/654062690.db2.gz QWTNCTUOTHBQNY-OAHLLOKOSA-N 1 0 382.302 2.041 20 0 GEADRO COc1ncc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1Br ZINC000829227844 654062819 /nfs/dbraw/zinc/06/28/19/654062819.db2.gz DZUYQVJKZDABKU-UHFFFAOYSA-N 1 0 398.301 2.037 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000829280307 654064059 /nfs/dbraw/zinc/06/40/59/654064059.db2.gz GZAZPJXBABCRHE-UHFFFAOYSA-N 1 0 397.317 2.234 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000900464201 654065543 /nfs/dbraw/zinc/06/55/43/654065543.db2.gz IVKDJMWUUFWANG-AEFFLSMTSA-N 1 0 397.313 2.196 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000798492115 654066241 /nfs/dbraw/zinc/06/62/41/654066241.db2.gz AFIJBNRYAHWGGS-BZUAXINKSA-N 1 0 380.501 2.436 20 0 GEADRO C[NH+]1CCC(NCc2cn(Cc3ccc(F)c(Br)c3)nn2)CC1 ZINC000900523369 654068365 /nfs/dbraw/zinc/06/83/65/654068365.db2.gz AYWLCLRXDAFGRD-UHFFFAOYSA-N 1 0 382.281 2.412 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)c1ccccn1 ZINC000850341387 654071812 /nfs/dbraw/zinc/07/18/12/654071812.db2.gz JDINKMCNWGKTKB-GXTWGEPZSA-N 1 0 382.917 2.493 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000900608231 654072790 /nfs/dbraw/zinc/07/27/90/654072790.db2.gz ROIKYQJNNKSOPA-FNDUUJAJSA-N 1 0 391.270 2.488 20 0 GEADRO Cc1cc(Cn2cc(COCC[NH3+])nn2)c(C)cc1I ZINC000900606419 654072807 /nfs/dbraw/zinc/07/28/07/654072807.db2.gz ZSFKTFQOGDNJAH-UHFFFAOYSA-N 1 0 386.237 2.023 20 0 GEADRO Cn1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c(-c2ccc(F)cc2)n1 ZINC000850365830 654073385 /nfs/dbraw/zinc/07/33/85/654073385.db2.gz QSILOCJPYTXMGP-UHFFFAOYSA-N 1 0 379.379 2.293 20 0 GEADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000850418121 654076400 /nfs/dbraw/zinc/07/64/00/654076400.db2.gz YYDDAAJNYXQEEQ-NSHDSACASA-N 1 0 391.921 2.332 20 0 GEADRO O=C(NCc1ncc(Br)s1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000869194356 654076389 /nfs/dbraw/zinc/07/63/89/654076389.db2.gz BVGDNDNPOPZCAZ-UHFFFAOYSA-N 1 0 382.287 2.332 20 0 GEADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000900690529 654076880 /nfs/dbraw/zinc/07/68/80/654076880.db2.gz GQYUAZMQYZUCDY-HNNXBMFYSA-N 1 0 399.333 2.044 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000900689438 654076906 /nfs/dbraw/zinc/07/69/06/654076906.db2.gz QGTHKYVWOVLRPV-KRWDZBQOSA-N 1 0 398.345 2.016 20 0 GEADRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850496841 654079373 /nfs/dbraw/zinc/07/93/73/654079373.db2.gz QMYVYMGKHZOHDY-LMKMVOKYSA-N 1 0 378.460 2.269 20 0 GEADRO COC(=O)Cc1csc(N(C)C(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)n1 ZINC000829769438 654079476 /nfs/dbraw/zinc/07/94/76/654079476.db2.gz VSTDRTNXEGRVPH-LBPRGKRZSA-N 1 0 382.873 2.268 20 0 GEADRO O=C([C@H](O)c1cccc(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000900760827 654079816 /nfs/dbraw/zinc/07/98/16/654079816.db2.gz LEHVJJUQEBUOLQ-QGZVFWFLSA-N 1 0 397.313 2.053 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000850509086 654080539 /nfs/dbraw/zinc/08/05/39/654080539.db2.gz XTUFEVUAMORDRP-LLVKDONJSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)s1 ZINC000900800160 654081057 /nfs/dbraw/zinc/08/10/57/654081057.db2.gz BMELSXAEGRCYNL-OCCSQVGLSA-N 1 0 378.567 2.473 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1 ZINC000850519635 654081599 /nfs/dbraw/zinc/08/15/99/654081599.db2.gz OGENGEKOUFZHTG-WDEREUQCSA-N 1 0 395.390 2.310 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000829852647 654082051 /nfs/dbraw/zinc/08/20/51/654082051.db2.gz ZGVRHYVJWFBMTQ-GFCCVEGCSA-N 1 0 389.338 2.487 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)[nH]nc2I)[C@@H](C)C1 ZINC000900816042 654082570 /nfs/dbraw/zinc/08/25/70/654082570.db2.gz BGHUVQDWRHKBLK-ONGXEEELSA-N 1 0 390.269 2.125 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850549328 654082889 /nfs/dbraw/zinc/08/28/89/654082889.db2.gz FZIBLPPLDHLQKV-LLVKDONJSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)n1 ZINC000850552171 654083084 /nfs/dbraw/zinc/08/30/84/654083084.db2.gz XRHACDVFALDSSK-LLVKDONJSA-N 1 0 383.290 2.080 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000900841891 654084103 /nfs/dbraw/zinc/08/41/03/654084103.db2.gz HLVXJRNQYJNCHZ-UHFFFAOYSA-N 1 0 387.311 2.356 20 0 GEADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850589131 654084117 /nfs/dbraw/zinc/08/41/17/654084117.db2.gz INOSIADIIVHFNO-GFCCVEGCSA-N 1 0 384.889 2.277 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000916124134 654084584 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389.240 2.399 20 0 GEADRO O=C(c1cc(Br)c(F)cc1F)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889758115 654168954 /nfs/dbraw/zinc/16/89/54/654168954.db2.gz XSHWNKHUVHPEQU-CABCVRRESA-N 1 0 389.240 2.399 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000831185940 654169299 /nfs/dbraw/zinc/16/92/99/654169299.db2.gz FKNBTFWCIDNRAL-CQSZACIVSA-N 1 0 396.285 2.177 20 0 GEADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889763396 654170123 /nfs/dbraw/zinc/17/01/23/654170123.db2.gz RYSQYOZEXLNKSJ-IKGGRYGDSA-N 1 0 387.307 2.475 20 0 GEADRO COc1cc(Br)ccc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889769872 654171393 /nfs/dbraw/zinc/17/13/93/654171393.db2.gz ODLUGOPJKKXQJG-HUUCEWRRSA-N 1 0 383.286 2.129 20 0 GEADRO O=C(c1cc(Br)cnc1Cl)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889769039 654171401 /nfs/dbraw/zinc/17/14/01/654171401.db2.gz IZTLGJLESPWVIL-STQMWFEESA-N 1 0 388.693 2.169 20 0 GEADRO O=C(CCc1cccc(Br)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889783621 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CCO[C@H](CNC(=O)[C@@H](OC)c1ccc(Br)s1)C[NH+](C)C ZINC000831695281 654200442 /nfs/dbraw/zinc/20/04/42/654200442.db2.gz KQRGWAVBHLJKCN-MFKMUULPSA-N 1 0 379.320 2.281 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000851887805 654200620 /nfs/dbraw/zinc/20/06/20/654200620.db2.gz ZMFHZIDSIYUQAQ-OAHLLOKOSA-N 1 0 388.917 2.274 20 0 GEADRO CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870863400 654201155 /nfs/dbraw/zinc/20/11/55/654201155.db2.gz FLUVILLKSJZVHO-AWEZNQCLSA-N 1 0 382.302 2.166 20 0 GEADRO [NH3+][C@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000870875444 654201574 /nfs/dbraw/zinc/20/15/74/654201574.db2.gz CNVPPYOORBCUDI-RYUDHWBXSA-N 1 0 380.208 2.202 20 0 GEADRO CCO[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1Br)C[NH+](C)C ZINC000831708696 654201692 /nfs/dbraw/zinc/20/16/92/654201692.db2.gz UVVNGIUMPATFTJ-NSHDSACASA-N 1 0 375.311 2.097 20 0 GEADRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870878305 654202080 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CCC[N@@H+]1CC[C@H](CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000920181187 654204771 /nfs/dbraw/zinc/20/47/71/654204771.db2.gz GMNDHJBUQWCGKJ-CABCVRRESA-N 1 0 388.965 2.026 20 0 GEADRO CCO[C@H](CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C[NH+](C)C ZINC000831743885 654205863 /nfs/dbraw/zinc/20/58/63/654205863.db2.gz LOAHNWLXXWXMOD-LLVKDONJSA-N 1 0 396.285 2.399 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890200101 654205981 /nfs/dbraw/zinc/20/59/81/654205981.db2.gz DIRUKFMZAWIPQE-QMMMGPOBSA-N 1 0 381.196 2.101 20 0 GEADRO CCN(CC)C(=O)CCC1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000851919506 654206155 /nfs/dbraw/zinc/20/61/55/654206155.db2.gz KBEXUCMZZQSRKX-UHFFFAOYSA-N 1 0 386.338 2.401 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000851921148 654206200 /nfs/dbraw/zinc/20/62/00/654206200.db2.gz KSSJNFOLHXOUTP-IUODEOHRSA-N 1 0 394.430 2.293 20 0 GEADRO CC[C@@H](C(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1)[NH+](C)C ZINC000890200405 654206456 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HROYMYIFMKBICV-LMSBXDPUSA-N 1 0 386.945 2.406 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C2 ZINC000920281453 654208642 /nfs/dbraw/zinc/20/86/42/654208642.db2.gz BKONZMHOVLDFQH-VQHPVUNQSA-N 1 0 390.908 2.237 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000870935718 654209291 /nfs/dbraw/zinc/20/92/91/654209291.db2.gz RMEHZLGFBYHBDB-SNVBAGLBSA-N 1 0 388.249 2.499 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCc3cccs3)C2)[C@@H]1C(C)C ZINC000920304538 654209818 /nfs/dbraw/zinc/20/98/18/654209818.db2.gz ZTJBDASYIJIWDG-ZJPYXAASSA-N 1 0 386.583 2.080 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000870937285 654209744 /nfs/dbraw/zinc/20/97/44/654209744.db2.gz YPFBJFZOKCKMDL-GHMZBOCLSA-N 1 0 388.249 2.499 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cccc(F)c3Br)C2)C1 ZINC000890299024 654213124 /nfs/dbraw/zinc/21/31/24/654213124.db2.gz GRWHTVSNIVRRET-KRWDZBQOSA-N 1 0 398.276 2.471 20 0 GEADRO CN1CC[C@H]([NH2+]CCn2cnc(Br)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000852017941 654213153 /nfs/dbraw/zinc/21/31/53/654213153.db2.gz HKUROSPVKUERAL-KBPBESRZSA-N 1 0 386.244 2.354 20 0 GEADRO C[C@@H]1[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC000903049818 654213514 /nfs/dbraw/zinc/21/35/14/654213514.db2.gz IHEXNKATYGZNKH-VXGBXAGGSA-N 1 0 388.452 2.341 20 0 GEADRO NC(=O)[C@@](O)(C[NH2+][C@H](c1cncc(Br)c1)C1CC1)c1ccccc1 ZINC000852023688 654213768 /nfs/dbraw/zinc/21/37/68/654213768.db2.gz OGDOLGQKJFTHLH-FUHWJXTLSA-N 1 0 390.281 2.258 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000870975069 654214626 /nfs/dbraw/zinc/21/46/26/654214626.db2.gz QJMIAJWJSQIPSK-YOWGUQMCSA-N 1 0 382.913 2.293 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903076644 654214656 /nfs/dbraw/zinc/21/46/56/654214656.db2.gz SZLNRSQWZOFKBW-JSGCOSHPSA-N 1 0 380.432 2.087 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000870961097 654214742 /nfs/dbraw/zinc/21/47/42/654214742.db2.gz YQVRNRISAPMKGG-UHFFFAOYSA-N 1 0 387.571 2.043 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000870968119 654214908 /nfs/dbraw/zinc/21/49/08/654214908.db2.gz MJNANHXIYBDFAH-WAAGHKOSSA-N 1 0 385.287 2.347 20 0 GEADRO C[NH+]1CCN(c2ccncc2NS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000903081439 654215171 /nfs/dbraw/zinc/21/51/71/654215171.db2.gz WLFSFMHOMQFSIK-AWEZNQCLSA-N 1 0 393.340 2.159 20 0 GEADRO O=C(c1cc(F)c(Cl)cc1Cl)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871002381 654215710 /nfs/dbraw/zinc/21/57/10/654215710.db2.gz NKDISVVYMHUJQI-WZYXQFPFSA-N 1 0 388.226 2.140 20 0 GEADRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903127257 654219268 /nfs/dbraw/zinc/21/92/68/654219268.db2.gz HNCCTQMZQSPAFG-LLVKDONJSA-N 1 0 399.456 2.456 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000852126784 654219914 /nfs/dbraw/zinc/21/99/14/654219914.db2.gz HKGZQIUOLOTWKP-WFASDCNBSA-N 1 0 376.284 2.047 20 0 GEADRO COC(=O)c1cn(C[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)nn1 ZINC000920757668 654220266 /nfs/dbraw/zinc/22/02/66/654220266.db2.gz FPTPDPUHWQYXQA-AWEZNQCLSA-N 1 0 379.258 2.492 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCO[C@]34CCOC4)nc12 ZINC000903147461 654221335 /nfs/dbraw/zinc/22/13/35/654221335.db2.gz IHRROICCZQFCKQ-WBVHZDCISA-N 1 0 380.286 2.485 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000852188194 654223893 /nfs/dbraw/zinc/22/38/93/654223893.db2.gz UPMSEJOQBRFSDL-MRXNPFEDSA-N 1 0 390.311 2.437 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000852187863 654224173 /nfs/dbraw/zinc/22/41/73/654224173.db2.gz QWMHALWAZAYAJW-HOTGVXAUSA-N 1 0 376.434 2.342 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC(=O)O2)C[C@H]1c1ccc(Br)cc1 ZINC000852189973 654224366 /nfs/dbraw/zinc/22/43/66/654224366.db2.gz FOOISJNQEXRUTP-QLFBSQMISA-N 1 0 382.254 2.343 20 0 GEADRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903186467 654224960 /nfs/dbraw/zinc/22/49/60/654224960.db2.gz KUZHIWBWDIMQTP-LBPRGKRZSA-N 1 0 380.432 2.087 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000920831210 654224859 /nfs/dbraw/zinc/22/48/59/654224859.db2.gz YCGXXGGMEZHWCA-MQVJKMGUSA-N 1 0 386.587 2.014 20 0 GEADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000903227557 654228920 /nfs/dbraw/zinc/22/89/20/654228920.db2.gz UFJKUCABYDUPQN-AWEZNQCLSA-N 1 0 387.552 2.074 20 0 GEADRO C[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903252629 654231647 /nfs/dbraw/zinc/23/16/47/654231647.db2.gz FLZINHAHSFGGSW-YUNRHHNCSA-N 1 0 386.539 2.107 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903272605 654232148 /nfs/dbraw/zinc/23/21/48/654232148.db2.gz WZJAVABQFIIFMW-BMGDILEWSA-N 1 0 383.583 2.167 20 0 GEADRO C[C@]12CCN(C[C@@H](O)C[NH+]3CCCC3)C[C@H]1C2(Br)Br ZINC000852335496 654233281 /nfs/dbraw/zinc/23/32/81/654233281.db2.gz IDFPXGZUQPMQNK-XQQFMLRXSA-N 1 0 396.167 2.271 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903318880 654233635 /nfs/dbraw/zinc/23/36/35/654233635.db2.gz RYOZYDKWILRTCZ-LBRJOISOSA-N 1 0 386.539 2.251 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCS(=O)(=O)C1 ZINC000903362267 654235276 /nfs/dbraw/zinc/23/52/76/654235276.db2.gz CVYTUBCQTCDVGH-UKRRQHHQSA-N 1 0 392.290 2.369 20 0 GEADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCn2ncc(Br)c2C1 ZINC000852372953 654236500 /nfs/dbraw/zinc/23/65/00/654236500.db2.gz GGPZKWGREYJKKZ-UHFFFAOYSA-N 1 0 382.306 2.188 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCS(=O)(=O)C1 ZINC000903368527 654237036 /nfs/dbraw/zinc/23/70/36/654237036.db2.gz OJPTYGUKCANZNI-HZPDHXFCSA-N 1 0 388.327 2.100 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903369092 654237058 /nfs/dbraw/zinc/23/70/58/654237058.db2.gz SLABYTNYIGGGQG-SUMWQHHRSA-N 1 0 388.917 2.159 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)CCS(=O)(=O)C1 ZINC000903369071 654237125 /nfs/dbraw/zinc/23/71/25/654237125.db2.gz SGHJBVMUKQCROG-SUMWQHHRSA-N 1 0 377.453 2.402 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCn2ncc(Br)c2C1 ZINC000852405533 654237944 /nfs/dbraw/zinc/23/79/44/654237944.db2.gz ZGRBYISFIUNFPF-KGLIPLIRSA-N 1 0 382.306 2.188 20 0 GEADRO C[NH+](C)CCOC1CCN(CN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000802732639 654238012 /nfs/dbraw/zinc/23/80/12/654238012.db2.gz NIGKYYGAWCRBNM-UHFFFAOYSA-N 1 0 396.329 2.405 20 0 GEADRO COCCS(=O)(=O)CCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000852421034 654238061 /nfs/dbraw/zinc/23/80/61/654238061.db2.gz NEZXEXWDNQQQML-SFHVURJKSA-N 1 0 389.945 2.473 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903426850 654238932 /nfs/dbraw/zinc/23/89/32/654238932.db2.gz PVRIEDAFQSXKMI-GFCCVEGCSA-N 1 0 378.325 2.052 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cccc(-n2cnnn2)c1 ZINC000903480048 654240364 /nfs/dbraw/zinc/24/03/64/654240364.db2.gz UTAZXWFFKLVXRQ-YPMHNXCESA-N 1 0 388.273 2.287 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N[C@](C)(C[NH3+])C(C)C)cc1Br ZINC000903493614 654241443 /nfs/dbraw/zinc/24/14/43/654241443.db2.gz RVRVLTKFUSRQMV-CQSZACIVSA-N 1 0 395.319 2.118 20 0 GEADRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc(I)s1 ZINC000903499891 654242306 /nfs/dbraw/zinc/24/23/06/654242306.db2.gz OFCJEGJPLJUUIX-UHFFFAOYSA-N 1 0 388.296 2.149 20 0 GEADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc2ccccc2s1 ZINC000903503817 654242333 /nfs/dbraw/zinc/24/23/33/654242333.db2.gz LFMZQCMVQKEWPQ-UHFFFAOYSA-N 1 0 379.551 2.396 20 0 GEADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000903513163 654244363 /nfs/dbraw/zinc/24/43/63/654244363.db2.gz VLOOVXUFUHBQLS-SNVBAGLBSA-N 1 0 379.295 2.477 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000903513086 654244468 /nfs/dbraw/zinc/24/44/68/654244468.db2.gz QOCGFXNPYCSTOH-SNVBAGLBSA-N 1 0 395.294 2.359 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1F ZINC000903513260 654244739 /nfs/dbraw/zinc/24/47/39/654244739.db2.gz ZZMOLWZEUHCWEZ-ZJUUUORDSA-N 1 0 395.294 2.263 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000903514960 654245597 /nfs/dbraw/zinc/24/55/97/654245597.db2.gz ZOIMFYDSVBNCCM-AWEZNQCLSA-N 1 0 377.279 2.103 20 0 GEADRO Ic1cnnn1C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000852532286 654246035 /nfs/dbraw/zinc/24/60/35/654246035.db2.gz HDCCWUMYBQFJCC-GFCCVEGCSA-N 1 0 376.242 2.089 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCC(n3nncc3I)CC2)CCO1 ZINC000852532698 654246433 /nfs/dbraw/zinc/24/64/33/654246433.db2.gz OILZZCLXNNMRIP-ZYHUDNBSSA-N 1 0 376.242 2.087 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903517406 654246556 /nfs/dbraw/zinc/24/65/56/654246556.db2.gz AGHLDFPHAQUHDC-HNNXBMFYSA-N 1 0 391.306 2.494 20 0 GEADRO C[C@@H]1C[C@H](C[NH+]2CCC(n3nncc3I)CC2)CCO1 ZINC000852532619 654246691 /nfs/dbraw/zinc/24/66/91/654246691.db2.gz NLPDNVQJHRHUTE-VXGBXAGGSA-N 1 0 390.269 2.335 20 0 GEADRO C[C@H]1C[C@@H](C[NH+]2CCC(n3nncc3I)CC2)CCO1 ZINC000852532617 654246742 /nfs/dbraw/zinc/24/67/42/654246742.db2.gz NLPDNVQJHRHUTE-RYUDHWBXSA-N 1 0 390.269 2.335 20 0 GEADRO CC[NH+](CC)CCCN1CCC(n2nncc2I)CC1 ZINC000852532587 654246751 /nfs/dbraw/zinc/24/67/51/654246751.db2.gz MZQRPXAPXSIIKM-UHFFFAOYSA-N 1 0 391.301 2.252 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(I)cn1 ZINC000890879782 654246763 /nfs/dbraw/zinc/24/67/63/654246763.db2.gz DUYKZEQNHDCFPU-UHFFFAOYSA-N 1 0 375.254 2.346 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000890883407 654247055 /nfs/dbraw/zinc/24/70/55/654247055.db2.gz DKYOOZJLUVTVCN-UHFFFAOYSA-N 1 0 375.922 2.371 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)Cc1cccc(F)c1Br ZINC000903521756 654248301 /nfs/dbraw/zinc/24/83/01/654248301.db2.gz GUVUGLQWYPJEAS-GFCCVEGCSA-N 1 0 379.295 2.396 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)NCCC1CC[NH2+]CC1 ZINC000903522132 654248672 /nfs/dbraw/zinc/24/86/72/654248672.db2.gz METGAGCUGIJDEE-UHFFFAOYSA-N 1 0 379.295 2.397 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1F ZINC000903525130 654249181 /nfs/dbraw/zinc/24/91/81/654249181.db2.gz AGOPGNKNYCRUPE-MNOVXSKESA-N 1 0 393.278 2.112 20 0 GEADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901674 654266446 /nfs/dbraw/zinc/26/64/46/654266446.db2.gz NSGZAQADHSZARD-GUDRVLHUSA-N 1 0 380.124 2.339 20 0 GEADRO O=S(=O)(Cc1cccc(Cl)c1Br)NCC12CC(C1)C[NH2+]2 ZINC000903525530 654249454 /nfs/dbraw/zinc/24/94/54/654249454.db2.gz UCXXLQGZZJRHRY-UHFFFAOYSA-N 1 0 379.707 2.274 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c1F ZINC000903531015 654250717 /nfs/dbraw/zinc/25/07/17/654250717.db2.gz GNDHATRSYACDDZ-MGPLVRAMSA-N 1 0 390.864 2.158 20 0 GEADRO COc1ccc(Cl)cc1CNC(=O)CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903534339 654251137 /nfs/dbraw/zinc/25/11/37/654251137.db2.gz FPTFAADMRPLYBI-QWHCGFSZSA-N 1 0 379.810 2.176 20 0 GEADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1ncc(Cl)cc1Cl ZINC000871675212 654251292 /nfs/dbraw/zinc/25/12/92/654251292.db2.gz HOSDGCUXMKXCAV-UHFFFAOYSA-N 1 0 379.251 2.268 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCCN2S(=O)(=O)c1ccc(F)cc1Br ZINC000903540367 654252179 /nfs/dbraw/zinc/25/21/79/654252179.db2.gz IXVYZFJFYVAEFA-IINYFYTJSA-N 1 0 377.279 2.480 20 0 GEADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903543140 654252599 /nfs/dbraw/zinc/25/25/99/654252599.db2.gz QHUUNFWAOXNXJX-UHFFFAOYSA-N 1 0 391.331 2.194 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000903544955 654252975 /nfs/dbraw/zinc/25/29/75/654252975.db2.gz PICMZRWVDNIPHY-GFCCVEGCSA-N 1 0 379.309 2.430 20 0 GEADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2cnn(CC(F)(F)F)c2)CCC1 ZINC000903546301 654253242 /nfs/dbraw/zinc/25/32/42/654253242.db2.gz JAYZJYSMAJSSQA-CYBMUJFWSA-N 1 0 380.436 2.118 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)cccc1Cl ZINC000903545332 654253351 /nfs/dbraw/zinc/25/33/51/654253351.db2.gz LYHOCCPDVLRANW-NSHDSACASA-N 1 0 379.309 2.430 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903548623 654253990 /nfs/dbraw/zinc/25/39/90/654253990.db2.gz LCEMBQPMQGXSSJ-NXEZZACHSA-N 1 0 395.294 2.121 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1F ZINC000903549074 654253930 /nfs/dbraw/zinc/25/39/30/654253930.db2.gz UVYRNQQEAJTESE-NXEZZACHSA-N 1 0 395.294 2.121 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000903548824 654254171 /nfs/dbraw/zinc/25/41/71/654254171.db2.gz FZJQFNRDLSJEAB-GHMZBOCLSA-N 1 0 379.295 2.253 20 0 GEADRO [NH3+][C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000903550605 654254453 /nfs/dbraw/zinc/25/44/53/654254453.db2.gz RWLNAQYSOYIATA-CRAIPNDOSA-N 1 0 376.865 2.372 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c(Br)c1 ZINC000903556198 654255261 /nfs/dbraw/zinc/25/52/61/654255261.db2.gz QNYGRXOYUHZAPZ-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903560582 654256113 /nfs/dbraw/zinc/25/61/13/654256113.db2.gz FONRBPHQVULSNE-CYZMBNFOSA-N 1 0 379.707 2.415 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3=Cc4cc(Br)ccc4OC3)C[C@@H]21 ZINC000832271823 654256669 /nfs/dbraw/zinc/25/66/69/654256669.db2.gz CVYCFOZBEXMOLG-ABAIWWIYSA-N 1 0 399.310 2.148 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903570438 654257508 /nfs/dbraw/zinc/25/75/08/654257508.db2.gz IXIHFYVGVBJGMM-HTRCEHHLSA-N 1 0 393.250 2.329 20 0 GEADRO C[NH2+]C[C@@H](C)c1noc(-c2cnn(C(C)C)c2I)n1 ZINC000871785166 654259230 /nfs/dbraw/zinc/25/92/30/654259230.db2.gz MSEHOBBVVVURBX-MRVPVSSYSA-N 1 0 375.214 2.442 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2I)C1 ZINC000852789651 654260276 /nfs/dbraw/zinc/26/02/76/654260276.db2.gz KHYSDMQDONLMJR-LLVKDONJSA-N 1 0 396.232 2.040 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000852786788 654260360 /nfs/dbraw/zinc/26/03/60/654260360.db2.gz KLWJSFNFURSTOC-OAHLLOKOSA-N 1 0 380.286 2.378 20 0 GEADRO C[C@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CC1(Br)Br ZINC000852799755 654260743 /nfs/dbraw/zinc/26/07/43/654260743.db2.gz WWCOIAMHDVQFGX-GFCCVEGCSA-N 1 0 398.139 2.239 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC[C@@H]1C(F)(F)F ZINC000903578070 654260839 /nfs/dbraw/zinc/26/08/39/654260839.db2.gz BHMOISJALXTXBW-BQBZGAKWSA-N 1 0 378.203 2.289 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000903579499 654261118 /nfs/dbraw/zinc/26/11/18/654261118.db2.gz OAZKFDZEOLRTGC-NEPJUHHUSA-N 1 0 388.358 2.231 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2N1 ZINC000871805524 654261166 /nfs/dbraw/zinc/26/11/66/654261166.db2.gz WVJSLZPVMBQHOU-OLZOCXBDSA-N 1 0 383.901 2.130 20 0 GEADRO O=C(C=C1CC[NH2+]CC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000852802579 654261429 /nfs/dbraw/zinc/26/14/29/654261429.db2.gz QPURWVAHZSWFEJ-UHFFFAOYSA-N 1 0 383.901 2.373 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)CC[C@@H]1C(F)(F)F ZINC000903580158 654261420 /nfs/dbraw/zinc/26/14/20/654261420.db2.gz SIUHUOPFPZXGDU-NWDGAFQWSA-N 1 0 375.372 2.242 20 0 GEADRO C[C@@]1(CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CCC[NH2+]C1 ZINC000871808119 654261563 /nfs/dbraw/zinc/26/15/63/654261563.db2.gz VFDJRVZDSDTEPX-QGZVFWFLSA-N 1 0 385.917 2.283 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871810122 654262016 /nfs/dbraw/zinc/26/20/16/654262016.db2.gz IVBAYQYRLZFILR-AWEZNQCLSA-N 1 0 376.881 2.057 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@H]1C(F)(F)F ZINC000871811999 654262807 /nfs/dbraw/zinc/26/28/07/654262807.db2.gz UWASCVBLKYVSCH-DTWKUNHWSA-N 1 0 387.221 2.207 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000871811998 654262901 /nfs/dbraw/zinc/26/29/01/654262901.db2.gz UWASCVBLKYVSCH-BDAKNGLRSA-N 1 0 387.221 2.207 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903584224 654263181 /nfs/dbraw/zinc/26/31/81/654263181.db2.gz JTWOYRDOTKGZFP-CYBMUJFWSA-N 1 0 377.304 2.206 20 0 GEADRO CC(C)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000871812866 654263219 /nfs/dbraw/zinc/26/32/19/654263219.db2.gz CTDLLIPVXTVYNJ-TZMCWYRMSA-N 1 0 378.416 2.283 20 0 GEADRO O=C(NCc1cc(Cl)ccc1I)[C@]1(F)CC[NH2+]C1 ZINC000852843793 654263444 /nfs/dbraw/zinc/26/34/44/654263444.db2.gz HHQGOJGTOIFUCW-LBPRGKRZSA-N 1 0 382.604 2.262 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903586004 654263570 /nfs/dbraw/zinc/26/35/70/654263570.db2.gz BNHCKYYGAFGAIM-OAHLLOKOSA-N 1 0 376.906 2.113 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)C[C@@H]1C(F)(F)F ZINC000871813491 654263556 /nfs/dbraw/zinc/26/35/56/654263556.db2.gz SKDGJNORFOPVLM-OCCSQVGLSA-N 1 0 376.400 2.209 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C[C@@H]1C(F)(F)F ZINC000871813486 654263578 /nfs/dbraw/zinc/26/35/78/654263578.db2.gz IULKOZMVXCSLJE-ONGXEEELSA-N 1 0 396.818 2.227 20 0 GEADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000921406549 654263830 /nfs/dbraw/zinc/26/38/30/654263830.db2.gz KPDFWQPTKLKABV-IACUBPJLSA-N 1 0 382.306 2.426 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000852855281 654263932 /nfs/dbraw/zinc/26/39/32/654263932.db2.gz YFUBVBUSPRDUJK-OAHLLOKOSA-N 1 0 391.269 2.032 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871813963 654263964 /nfs/dbraw/zinc/26/39/64/654263964.db2.gz MVPFASRJMWSDIZ-GXFFZTMASA-N 1 0 386.823 2.244 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@H]1C(F)(F)F ZINC000871813793 654263989 /nfs/dbraw/zinc/26/39/89/654263989.db2.gz YDIDLFQNCZQQRW-VXNVDRBHSA-N 1 0 392.321 2.185 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1Cl ZINC000903586874 654263979 /nfs/dbraw/zinc/26/39/79/654263979.db2.gz LRNYCMMXOJZCHK-CYBMUJFWSA-N 1 0 397.324 2.376 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C[C@@H]1C(F)(F)F ZINC000871814473 654264466 /nfs/dbraw/zinc/26/44/66/654264466.db2.gz UZYKWEZZHZNBTK-KBPBESRZSA-N 1 0 383.480 2.347 20 0 GEADRO C[C@@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1(Br)Br ZINC000852874293 654264381 /nfs/dbraw/zinc/26/43/81/654264381.db2.gz JYOLOEQNZPBLCU-NSHDSACASA-N 1 0 380.124 2.485 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)=NO1 ZINC000852866860 654264430 /nfs/dbraw/zinc/26/44/30/654264430.db2.gz MRRDUIDQZBIFTQ-ZDUSSCGKSA-N 1 0 385.295 2.178 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000903589089 654264478 /nfs/dbraw/zinc/26/44/78/654264478.db2.gz SGUPHFVFLOMPBB-UHFFFAOYSA-N 1 0 395.319 2.085 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)s1 ZINC000903589819 654264708 /nfs/dbraw/zinc/26/47/08/654264708.db2.gz YTQUHMXQIKKKQR-JTQLQIEISA-N 1 0 384.454 2.000 20 0 GEADRO [NH3+]C1(CNC(=O)c2cnn(-c3ccccc3)c2I)CCC1 ZINC000852876081 654264713 /nfs/dbraw/zinc/26/47/13/654264713.db2.gz VHDHSTWDRYUMRF-UHFFFAOYSA-N 1 0 396.232 2.088 20 0 GEADRO O=C(c1sccc1SC(F)F)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000832410633 654264845 /nfs/dbraw/zinc/26/48/45/654264845.db2.gz YQNJSDNCDLAALJ-LLVKDONJSA-N 1 0 389.493 2.347 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)c1 ZINC000903589888 654264870 /nfs/dbraw/zinc/26/48/70/654264870.db2.gz ZZYWJUKEXJDCSV-JTQLQIEISA-N 1 0 384.454 2.000 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c(Cl)cc1Cl ZINC000903589638 654264875 /nfs/dbraw/zinc/26/48/75/654264875.db2.gz QFXQHABFPNKKCG-VFZGTOFNSA-N 1 0 393.292 2.282 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1ccccc1SC(F)(F)F ZINC000903592031 654265126 /nfs/dbraw/zinc/26/51/26/654265126.db2.gz KJVPXMHVSCCOOU-UHFFFAOYSA-N 1 0 383.461 2.317 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903592535 654265252 /nfs/dbraw/zinc/26/52/52/654265252.db2.gz OLKHCNAYIFLLSJ-NHYWBVRUSA-N 1 0 389.315 2.350 20 0 GEADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000852881934 654265383 /nfs/dbraw/zinc/26/53/83/654265383.db2.gz TURUJJDCFIWGHN-SWLSCSKDSA-N 1 0 375.270 2.459 20 0 GEADRO C[C@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1(Br)Br ZINC000852880631 654265389 /nfs/dbraw/zinc/26/53/89/654265389.db2.gz CTHLTEALCOVYTO-JFGNBEQYSA-N 1 0 380.124 2.341 20 0 GEADRO Cn1ncc(S(=O)(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)c1C(F)(F)F ZINC000871819030 654265601 /nfs/dbraw/zinc/26/56/01/654265601.db2.gz OODUQSHIQODMFT-GFCCVEGCSA-N 1 0 380.436 2.030 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000871821008 654265995 /nfs/dbraw/zinc/26/59/95/654265995.db2.gz ZCKMNLOMBCHBKH-CABCVRRESA-N 1 0 388.331 2.078 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)cnc1Cl ZINC000903598829 654266084 /nfs/dbraw/zinc/26/60/84/654266084.db2.gz FUZKEFDSTIRJEB-UHFFFAOYSA-N 1 0 381.885 2.386 20 0 GEADRO [NH3+][C@H](C[C@@H]1CCCN(S(=O)(=O)N=S2(=O)CCCC2)C1)C1CCCC1 ZINC000871822529 654266143 /nfs/dbraw/zinc/26/61/43/654266143.db2.gz HUTHZOZVWRMCOV-GOEBONIOSA-N 1 0 377.576 2.113 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C2)C1 ZINC000891146917 654267362 /nfs/dbraw/zinc/26/73/62/654267362.db2.gz YWNKGVIIUGPFIK-QAPCUYQASA-N 1 0 393.281 2.085 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl ZINC000852920514 654268884 /nfs/dbraw/zinc/26/88/84/654268884.db2.gz URQBEYKOXFZBLS-SNVBAGLBSA-N 1 0 396.340 2.265 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1 ZINC000871920465 654278087 /nfs/dbraw/zinc/27/80/87/654278087.db2.gz GSXYIZNGMHTDKA-LSDHHAIUSA-N 1 0 383.286 2.151 20 0 GEADRO NC(=O)[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1 ZINC000871920460 654278227 /nfs/dbraw/zinc/27/82/27/654278227.db2.gz GSXYIZNGMHTDKA-CABCVRRESA-N 1 0 383.286 2.151 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cnc(Br)s2)C1 ZINC000903691785 654279259 /nfs/dbraw/zinc/27/92/59/654279259.db2.gz HYASYDGUPATNEP-NSHDSACASA-N 1 0 376.320 2.479 20 0 GEADRO O=C1N(CC[NH2+]C[C@@H](O)c2ccc(Br)cc2)C[C@@H]2CCCCN12 ZINC000853118848 654280066 /nfs/dbraw/zinc/28/00/66/654280066.db2.gz RZWKJPOPZLIVFU-JKSUJKDBSA-N 1 0 382.302 2.362 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000832603151 654280278 /nfs/dbraw/zinc/28/02/78/654280278.db2.gz CXIOEDHBCRZFAU-LLVKDONJSA-N 1 0 378.274 2.229 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(F)cc1 ZINC000853131734 654280408 /nfs/dbraw/zinc/28/04/08/654280408.db2.gz MRSQSDFVHKCSQU-OAHLLOKOSA-N 1 0 377.359 2.340 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903716095 654281001 /nfs/dbraw/zinc/28/10/01/654281001.db2.gz QXRQMQBUJWKQNP-UWVGGRQHSA-N 1 0 383.823 2.098 20 0 GEADRO COC(=O)[C@@H](Nc1cc2n(n1)CC[N@H+](C)C2)c1ccccc1Br ZINC000871926790 654281527 /nfs/dbraw/zinc/28/15/27/654281527.db2.gz LGRBNWFUSVPNOG-HNNXBMFYSA-N 1 0 379.258 2.417 20 0 GEADRO O[C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1c1ccc(Br)cc1 ZINC000903777035 654283330 /nfs/dbraw/zinc/28/33/30/654283330.db2.gz ZGUZBNRVDRCTHO-BRSBDYLESA-N 1 0 381.314 2.325 20 0 GEADRO FC(F)(F)c1nc(Br)c2n1CCN(C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903831296 654284674 /nfs/dbraw/zinc/28/46/74/654284674.db2.gz HCYOQSOYYVNOTP-VIFPVBQESA-N 1 0 395.223 2.001 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccc(Br)cc1F ZINC000903830719 654284690 /nfs/dbraw/zinc/28/46/90/654284690.db2.gz IVVZQIUGODVTEM-CYBMUJFWSA-N 1 0 388.281 2.227 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000921601684 654290519 /nfs/dbraw/zinc/29/05/19/654290519.db2.gz VIYOPVONLMBIMS-AWEZNQCLSA-N 1 0 379.448 2.053 20 0 GEADRO CC(C)[C@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[NH+]1CCCCCC1 ZINC000853283135 654290690 /nfs/dbraw/zinc/29/06/90/654290690.db2.gz DMVKEDZGYOLPCW-HWRSSNJWSA-N 1 0 385.496 2.497 20 0 GEADRO C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000891395734 654290853 /nfs/dbraw/zinc/29/08/53/654290853.db2.gz WHLLCAIUEPRILX-GARJFASQSA-N 1 0 384.274 2.412 20 0 GEADRO CCC1([NH3+])CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000891401571 654291031 /nfs/dbraw/zinc/29/10/31/654291031.db2.gz OVDIYGXSPZYOFF-UHFFFAOYSA-N 1 0 397.317 2.092 20 0 GEADRO C[C@H](NC(=O)N1C[C@@H]([NH3+])C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000891395736 654291078 /nfs/dbraw/zinc/29/10/78/654291078.db2.gz WHLLCAIUEPRILX-VWYCJHECSA-N 1 0 384.274 2.412 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCC(=O)Nc1ccc(Br)cc1)C2 ZINC000891404915 654291404 /nfs/dbraw/zinc/29/14/04/654291404.db2.gz SKDCESJKYWLHGC-YVEFUNNKSA-N 1 0 395.301 2.029 20 0 GEADRO O=C1NCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1Br ZINC000903911246 654291426 /nfs/dbraw/zinc/29/14/26/654291426.db2.gz ZUPZTHRLLCEPFD-DSZSVDOYSA-N 1 0 378.314 2.453 20 0 GEADRO Brc1cccc2c1CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CCO2 ZINC000903933131 654291880 /nfs/dbraw/zinc/29/18/80/654291880.db2.gz YRIJQDSDTWBHBB-CYBMUJFWSA-N 1 0 392.301 2.360 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971435 654293412 /nfs/dbraw/zinc/29/34/12/654293412.db2.gz BEWQJWZISCSZBN-OAHLLOKOSA-N 1 0 386.945 2.382 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891463595 654295023 /nfs/dbraw/zinc/29/50/23/654295023.db2.gz FEVARXUGTKUFDB-AULYBMBSSA-N 1 0 383.290 2.123 20 0 GEADRO CCN(C(=O)NCc1cc(Br)c(OC)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000891466465 654295071 /nfs/dbraw/zinc/29/50/71/654295071.db2.gz WKRQCZWODFNOAF-GFCCVEGCSA-N 1 0 386.290 2.360 20 0 GEADRO CCO[C@@H](CNS(=O)(=O)c1cc(C(=O)CC)ccc1Cl)C[NH+](C)C ZINC000921630105 654295605 /nfs/dbraw/zinc/29/56/05/654295605.db2.gz FRDCWHLGOOIJQE-ZDUSSCGKSA-N 1 0 376.906 2.178 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891481925 654296266 /nfs/dbraw/zinc/29/62/66/654296266.db2.gz JBBDAQSBXBZMFU-AAEUAGOBSA-N 1 0 383.290 2.217 20 0 GEADRO C[C@@H](CNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)C[NH+]1CCCC1 ZINC000853455011 654296403 /nfs/dbraw/zinc/29/64/03/654296403.db2.gz OLGNBUGRJHCENY-AWEZNQCLSA-N 1 0 396.329 2.394 20 0 GEADRO CS[C@@H]1CN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)C[C@@H]1[NH+]1CCCC1 ZINC000853483980 654298550 /nfs/dbraw/zinc/29/85/50/654298550.db2.gz UGRRJULYIUTEJY-UONOGXRCSA-N 1 0 385.942 2.390 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ncc(Br)cn1)Cc1ccccc1 ZINC000891536136 654299687 /nfs/dbraw/zinc/29/96/87/654299687.db2.gz YYETUXMEIROAHR-HNNXBMFYSA-N 1 0 392.301 2.211 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2cnc(Br)s2)ccn1 ZINC000904083627 654300749 /nfs/dbraw/zinc/30/07/49/654300749.db2.gz VVJCQQIOUKIVIH-UHFFFAOYSA-N 1 0 385.287 2.171 20 0 GEADRO CSc1ccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@@H]43)n2)c(Cl)c1 ZINC000904098011 654301291 /nfs/dbraw/zinc/30/12/91/654301291.db2.gz MDDBNZDKSLUMQN-IUPBHXKESA-N 1 0 399.925 2.287 20 0 GEADRO O=C(N1CCC[C@@H]([C@H]2CCCC[N@@H+]2CN2CCOC2=S)C1)C(F)(F)F ZINC000853545433 654302600 /nfs/dbraw/zinc/30/26/00/654302600.db2.gz FLBCGDAXFTZSES-CHWSQXEVSA-N 1 0 379.448 2.216 20 0 GEADRO CCSc1cccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@@H]43)n2)c1 ZINC000904121746 654303147 /nfs/dbraw/zinc/30/31/47/654303147.db2.gz WBTVTXAIXLBNBX-YUELXQCFSA-N 1 0 379.507 2.024 20 0 GEADRO CCOC(=O)[C@@H](C)C1C[NH+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000871994733 654305171 /nfs/dbraw/zinc/30/51/71/654305171.db2.gz WSMGFWBRRVOFLL-SWLSCSKDSA-N 1 0 386.286 2.320 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)C[C@H]1C(F)(F)F ZINC000891698198 654307595 /nfs/dbraw/zinc/30/75/95/654307595.db2.gz MMDFOKZWTQFWJU-JHJVBQTASA-N 1 0 381.464 2.210 20 0 GEADRO [NH3+][C@H]1C[C@@H](CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000904334104 654307813 /nfs/dbraw/zinc/30/78/13/654307813.db2.gz LTMAXNQWMGRNSF-BJHJDKERSA-N 1 0 378.325 2.037 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(C)CC2(Cl)Cl)CC1=O ZINC000833833780 654309648 /nfs/dbraw/zinc/30/96/48/654309648.db2.gz OPGLFYIZTRAHSV-IOASZLSFSA-N 1 0 376.328 2.019 20 0 GEADRO C[C@H]1CCCN(C(=O)Nc2ccncc2I)[C@@H]1CC[NH3+] ZINC000904410261 654309701 /nfs/dbraw/zinc/30/97/01/654309701.db2.gz NKRRLXHJXUWYQN-GXFFZTMASA-N 1 0 388.253 2.089 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000904419085 654309782 /nfs/dbraw/zinc/30/97/82/654309782.db2.gz LZKUATVADAJKST-SECBINFHSA-N 1 0 377.670 2.258 20 0 GEADRO COc1ccc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(I)c1 ZINC000904448663 654311206 /nfs/dbraw/zinc/31/12/06/654311206.db2.gz BFADJUANOYGFNM-ZEGGKSINSA-N 1 0 387.221 2.314 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H]([NH3+])C[C@H]3C)nc12 ZINC000891784453 654311565 /nfs/dbraw/zinc/31/15/65/654311565.db2.gz SVVCXEVGJAZWJL-DGCLKSJQSA-N 1 0 380.290 2.079 20 0 GEADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904459574 654311655 /nfs/dbraw/zinc/31/16/55/654311655.db2.gz VXTWYHXADYCHPN-MEDUHNTESA-N 1 0 391.273 2.375 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)nc12 ZINC000891791156 654312099 /nfs/dbraw/zinc/31/20/99/654312099.db2.gz NFPJSPXSHMLEEL-GJZGRUSLSA-N 1 0 392.301 2.441 20 0 GEADRO CNC(=O)c1cccc(NC(=O)NC2(C3CC[NH2+]CC3)CC2)c1Br ZINC000904484780 654312151 /nfs/dbraw/zinc/31/21/51/654312151.db2.gz OSKYKJMFDNKFCT-UHFFFAOYSA-N 1 0 395.301 2.462 20 0 GEADRO CN1CCN(C)[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872034093 654313004 /nfs/dbraw/zinc/31/30/04/654313004.db2.gz GDEQZCUTJQZOAA-JQHSSLGASA-N 1 0 382.346 2.362 20 0 GEADRO O=C(NCC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)c1ccn[nH]1 ZINC000872061064 654313094 /nfs/dbraw/zinc/31/30/94/654313094.db2.gz VMVAWSRDZVECRV-CJNGLKHVSA-N 1 0 393.285 2.269 20 0 GEADRO CCc1[nH]nc(Cl)c1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000921729644 654313169 /nfs/dbraw/zinc/31/31/69/654313169.db2.gz OXRNSZGNKJCUIN-UHFFFAOYSA-N 1 0 388.843 2.277 20 0 GEADRO OCc1cn(CCC[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)nn1 ZINC000872073912 654313491 /nfs/dbraw/zinc/31/34/91/654313491.db2.gz WWTLSIMDWRIJRK-YOEHRIQHSA-N 1 0 395.301 2.290 20 0 GEADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)NCCc1cn2c(n1)SCC2 ZINC000891840673 654314260 /nfs/dbraw/zinc/31/42/60/654314260.db2.gz BEQMRFWHAGDKTO-UHFFFAOYSA-N 1 0 379.917 2.355 20 0 GEADRO Cc1ccc(SCCNC(=O)CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872147786 654314401 /nfs/dbraw/zinc/31/44/01/654314401.db2.gz LEWQNRZDFZWMOY-DZGCQCFKSA-N 1 0 375.460 2.272 20 0 GEADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000872149046 654314580 /nfs/dbraw/zinc/31/45/80/654314580.db2.gz SPPVHBOQDJNYDM-JOYOIKCWSA-N 1 0 380.208 2.457 20 0 GEADRO [NH3+]C[C@@]1(c2nc(-c3cccc(I)c3)no2)CCCOC1 ZINC000872178160 654315742 /nfs/dbraw/zinc/31/57/42/654315742.db2.gz MBVQJTOJXCVGMO-AWEZNQCLSA-N 1 0 385.205 2.348 20 0 GEADRO CCOC(=O)c1cn(CCCn2ccnc2C)nc1I ZINC000853707758 654316775 /nfs/dbraw/zinc/31/67/75/654316775.db2.gz SICZAEMPEDLNMW-UHFFFAOYSA-N 1 0 388.209 2.260 20 0 GEADRO Cc1cc(Cc2noc([C@H]3CCCN(CC[NH3+])C3=O)n2)ccc1Br ZINC000904721370 654318082 /nfs/dbraw/zinc/31/80/82/654318082.db2.gz MAIYAIRFEXMDJN-CYBMUJFWSA-N 1 0 393.285 2.396 20 0 GEADRO C[C@](O)(C[NH2+]C1CN(c2ccncn2)C1)c1ccc(Br)cc1F ZINC000872226159 654317957 /nfs/dbraw/zinc/31/79/57/654317957.db2.gz 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COC[C@@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1cccc(Br)c1 ZINC000872236513 654318558 /nfs/dbraw/zinc/31/85/58/654318558.db2.gz PKZLOFSEIDXMOK-HZPDHXFCSA-N 1 0 388.302 2.019 20 0 GEADRO COC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1cccc(Br)c1 ZINC000872236514 654319117 /nfs/dbraw/zinc/31/91/17/654319117.db2.gz PKZLOFSEIDXMOK-JKSUJKDBSA-N 1 0 388.302 2.019 20 0 GEADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000891923776 654319160 /nfs/dbraw/zinc/31/91/60/654319160.db2.gz LYMGPLXFORUDGU-QGZVFWFLSA-N 1 0 399.333 2.017 20 0 GEADRO O=C1OCC[C@@H]1CCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000872244864 654319481 /nfs/dbraw/zinc/31/94/81/654319481.db2.gz UCDOTFRRBVOEDA-LBPRGKRZSA-N 1 0 390.299 2.156 20 0 GEADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000872247715 654319937 /nfs/dbraw/zinc/31/99/37/654319937.db2.gz VBYSZBKXEFDZSS-PNRVRQOCSA-N 1 0 387.929 2.334 20 0 GEADRO COc1c(Cl)cc(Cl)cc1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254606 654320047 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C[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)Sc1ccc(Br)cc1 ZINC000905106978 654332220 /nfs/dbraw/zinc/33/22/20/654332220.db2.gz UCPWPBOEFKIBSU-XNRPHZJLSA-N 1 0 390.343 2.422 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834541363 654332584 /nfs/dbraw/zinc/33/25/84/654332584.db2.gz VBAPOFYQEPBSPR-KBPBESRZSA-N 1 0 377.551 2.082 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ncc(Br)cn1)c1ccc(F)cc1 ZINC000892173687 654332874 /nfs/dbraw/zinc/33/28/74/654332874.db2.gz XJGYJYRHJSPLPG-CQSZACIVSA-N 1 0 396.264 2.480 20 0 GEADRO O[C@@H](C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000905121693 654333127 /nfs/dbraw/zinc/33/31/27/654333127.db2.gz FQXMBEGYUSYBNS-QAPCUYQASA-N 1 0 388.339 2.023 20 0 GEADRO C[N@H+](CCCNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)Cc1ccccc1 ZINC000872431948 654333576 /nfs/dbraw/zinc/33/35/76/654333576.db2.gz JGPOLBIYCOZLTE-QHCPKHFHSA-N 1 0 375.560 2.239 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2C)[C@@H](C)C1 ZINC000805005780 654334144 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CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)cc1Cl ZINC000905231059 654341872 /nfs/dbraw/zinc/34/18/72/654341872.db2.gz IWMOVKYKMRUOGM-NVXWUHKLSA-N 1 0 383.897 2.318 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)c2csc(I)n2)[C@@H](C)C[N@@H+]1C ZINC000892353057 654342261 /nfs/dbraw/zinc/34/22/61/654342261.db2.gz KOGAHBXSZUTIJN-YIZRAAEISA-N 1 0 379.267 2.301 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C1 ZINC000872459079 654342903 /nfs/dbraw/zinc/34/29/03/654342903.db2.gz QAJCMMWFHUXDAB-CYBMUJFWSA-N 1 0 388.331 2.197 20 0 GEADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872459749 654342992 /nfs/dbraw/zinc/34/29/92/654342992.db2.gz WSBRVLWUKQUOQX-LBPRGKRZSA-N 1 0 385.917 2.235 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3cc(Br)c4c(c3)OCCO4)[C@@H]2C1 ZINC000892365086 654343255 /nfs/dbraw/zinc/34/32/55/654343255.db2.gz NKKJLRINVRAGJG-GXTWGEPZSA-N 1 0 396.285 2.066 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cccc(Br)n1 ZINC000872460280 654343714 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[NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000892438145 654346545 /nfs/dbraw/zinc/34/65/45/654346545.db2.gz VNNQAIWAEXUUIC-QRTARXTBSA-N 1 0 398.345 2.417 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000892470495 654347495 /nfs/dbraw/zinc/34/74/95/654347495.db2.gz VLFBCWNUGUNTFH-UQHVZDHRSA-N 1 0 396.329 2.265 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCC[S@](=O)CC(F)(F)F ZINC000854303304 654348241 /nfs/dbraw/zinc/34/82/41/654348241.db2.gz KIFKGDNYMWIKLF-DEOSSOPVSA-N 1 0 385.477 2.132 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834791987 654348326 /nfs/dbraw/zinc/34/83/26/654348326.db2.gz BICXXQAVOVHYOE-UHFFFAOYSA-N 1 0 385.555 2.135 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000834786823 654348339 /nfs/dbraw/zinc/34/83/39/654348339.db2.gz UVRSQUNAXVONKG-CYBMUJFWSA-N 1 0 387.933 2.372 20 0 GEADRO O=C(NCc1sccc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892499911 654348888 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20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905334970 654351198 /nfs/dbraw/zinc/35/11/98/654351198.db2.gz LTYWHAXMCLGHDW-LBPRGKRZSA-N 1 0 375.332 2.299 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC000905336502 654351343 /nfs/dbraw/zinc/35/13/43/654351343.db2.gz QODMWNBIFNKOHR-UHFFFAOYSA-N 1 0 388.737 2.399 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905334967 654351392 /nfs/dbraw/zinc/35/13/92/654351392.db2.gz LTYWHAXMCLGHDW-GFCCVEGCSA-N 1 0 375.332 2.299 20 0 GEADRO Cc1cc(Br)cc(C)c1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905336228 654351421 /nfs/dbraw/zinc/35/14/21/654351421.db2.gz XKXIYWLDUYUZOT-UHFFFAOYSA-N 1 0 375.332 2.485 20 0 GEADRO O=C(Cc1cccnc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854330885 654351573 /nfs/dbraw/zinc/35/15/73/654351573.db2.gz NQQKYWWIGYYVLF-OAHLLOKOSA-N 1 0 382.302 2.100 20 0 GEADRO C[C@H](CNS(=O)(=O)CC1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000905338643 654351700 /nfs/dbraw/zinc/35/17/00/654351700.db2.gz 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[NH3+][C@H]1C[C@H](CNC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000892573095 654352238 /nfs/dbraw/zinc/35/22/38/654352238.db2.gz VHNUOIDKASKIEU-IXPVHAAZSA-N 1 0 386.265 2.408 20 0 GEADRO O=C(NC[C@H](O)c1ccccc1Br)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892587870 654352578 /nfs/dbraw/zinc/35/25/78/654352578.db2.gz VJGODJTTZJRIJN-ZWUHOBOKSA-N 1 0 382.302 2.312 20 0 GEADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H](CO)c1ccc(Br)cc1 ZINC000892584857 654352824 /nfs/dbraw/zinc/35/28/24/654352824.db2.gz QHIRYEXJAYXYIC-MSQAHXEGSA-N 1 0 382.302 2.312 20 0 GEADRO Cc1cc(Br)c2c(c1)CCN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC000905360961 654353478 /nfs/dbraw/zinc/35/34/78/654353478.db2.gz WPQDOLHIYARJPR-UHFFFAOYSA-N 1 0 387.343 2.445 20 0 GEADRO O=S(=O)(c1ccccc1)C1CC([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000892613637 654353539 /nfs/dbraw/zinc/35/35/39/654353539.db2.gz NHDKIKPXLZNYFN-HLIUYOAVSA-N 1 0 376.444 2.465 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(Br)cn2)C[C@H]1C(F)(F)F ZINC000892617027 654353915 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GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc(Br)n2)C1 ZINC000872503702 654358850 /nfs/dbraw/zinc/35/88/50/654358850.db2.gz RZJSTCNZLMCNLL-LLVKDONJSA-N 1 0 376.320 2.243 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000835070090 654360686 /nfs/dbraw/zinc/36/06/86/654360686.db2.gz QKZMWCSYSHCZTQ-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000835090355 654360979 /nfs/dbraw/zinc/36/09/79/654360979.db2.gz BXAHVCLCCGZHNX-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO CN1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)CC[N@H+](C)CC1 ZINC000892723149 654361216 /nfs/dbraw/zinc/36/12/16/654361216.db2.gz IBNMTZAYEPICSY-KRWDZBQOSA-N 1 0 395.345 2.325 20 0 GEADRO C[C@]1(NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C[NH+]2CCC1CC2 ZINC000892757283 654362611 /nfs/dbraw/zinc/36/26/11/654362611.db2.gz DUKHCDZVYKRFBM-YJBOKZPZSA-N 1 0 393.281 2.131 20 0 GEADRO O=S(=O)(c1ccc(C[NH2+]Cc2cn3ccnc3s2)cc1)N1CCCC1 ZINC000892771186 654363698 /nfs/dbraw/zinc/36/36/98/654363698.db2.gz RFOQNEDURLYAEX-UHFFFAOYSA-N 1 0 376.507 2.470 20 0 GEADRO COC(=O)CC1CC([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000905528841 654364139 /nfs/dbraw/zinc/36/41/39/654364139.db2.gz JYZDDUNOCRYGES-DBRPNBKGSA-N 1 0 390.249 2.259 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835137091 654364229 /nfs/dbraw/zinc/36/42/29/654364229.db2.gz XWTPRPKYODCOBY-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835137090 654364277 /nfs/dbraw/zinc/36/42/77/654364277.db2.gz XWTPRPKYODCOBY-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO COC(=O)c1cc(Br)c(NCCN2CCC([NH+](C)C)CC2)nc1C ZINC000892816538 654364958 /nfs/dbraw/zinc/36/49/58/654364958.db2.gz UFCLXFVFCLUIAG-UHFFFAOYSA-N 1 0 399.333 2.377 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905557394 654365818 /nfs/dbraw/zinc/36/58/18/654365818.db2.gz VGWUILULAIUNIZ-NWANDNLSSA-N 1 0 381.416 2.213 20 0 GEADRO C[C@](O)(C[NH2+]CCc1ccccc1S(C)(=O)=O)C(F)(F)C(F)(F)F ZINC000905557782 654366374 /nfs/dbraw/zinc/36/63/74/654366374.db2.gz XABKGTMFBJOQMO-LBPRGKRZSA-N 1 0 375.359 2.171 20 0 GEADRO C[C@H](OC[C@@H](O)C[NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000905576268 654367066 /nfs/dbraw/zinc/36/70/66/654367066.db2.gz DXAUFQAUUUMWQH-BBRMVZONSA-N 1 0 377.934 2.439 20 0 GEADRO CC(C)([NH3+])CCNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000892862668 654367332 /nfs/dbraw/zinc/36/73/32/654367332.db2.gz ZCKJZZAUVJKJDM-UHFFFAOYSA-N 1 0 376.270 2.220 20 0 GEADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cccnc2Br)CC1 ZINC000854569535 654367432 /nfs/dbraw/zinc/36/74/32/654367432.db2.gz KOBNCUPFDRBPPI-CYBMUJFWSA-N 1 0 382.302 2.098 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)CS(C)(=O)=O ZINC000905581352 654367452 /nfs/dbraw/zinc/36/74/52/654367452.db2.gz ZMKPCFBTGNGUKR-NSHDSACASA-N 1 0 384.325 2.394 20 0 GEADRO CCn1c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)nc(Br)c1Br ZINC000922099896 654367462 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20 0 GEADRO O[C@@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)c1ccc(F)c(Br)c1 ZINC000905616934 654370093 /nfs/dbraw/zinc/37/00/93/654370093.db2.gz AUCBBTRTUJRRFG-PBHICJAKSA-N 1 0 387.293 2.465 20 0 GEADRO O=C(NCCCc1cccc(Br)c1)NCC[NH+]1CCC(O)CC1 ZINC000892911300 654370127 /nfs/dbraw/zinc/37/01/27/654370127.db2.gz JUIQIPJFXGMNBJ-UHFFFAOYSA-N 1 0 384.318 2.138 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@]12C[C@H]1CCC2 ZINC000905621514 654370471 /nfs/dbraw/zinc/37/04/71/654370471.db2.gz SJYDYISUOVINIJ-QAPCUYQASA-N 1 0 385.551 2.424 20 0 GEADRO CC1([NH+]2CCC2)CCC(NC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000922142046 654371580 /nfs/dbraw/zinc/37/15/80/654371580.db2.gz GTXXGPLJYHKROB-UHFFFAOYSA-N 1 0 385.555 2.358 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000835225188 654372520 /nfs/dbraw/zinc/37/25/20/654372520.db2.gz RBPKRTZCWFTATM-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000854642949 654372826 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C[NH+](C)CC1CN(C(=O)c2nc(Br)ccc2Br)C1 ZINC000854723729 654379159 /nfs/dbraw/zinc/37/91/59/654379159.db2.gz GIINGESJORPNSH-UHFFFAOYSA-N 1 0 377.080 2.240 20 0 GEADRO C[C@H]1[C@H](NC(=O)NCc2nc(-c3cccc(Br)c3)no2)CC[N@@H+]1C ZINC000922258434 654379626 /nfs/dbraw/zinc/37/96/26/654379626.db2.gz GIENDXGXQWSFHE-GXFFZTMASA-N 1 0 394.273 2.391 20 0 GEADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1csc(I)n1)C2 ZINC000854734888 654380009 /nfs/dbraw/zinc/38/00/09/654380009.db2.gz FOCRYAQSOMNRQB-CYBMUJFWSA-N 1 0 391.278 2.306 20 0 GEADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1nccn3c(Br)cnc13)C2 ZINC000854739377 654380053 /nfs/dbraw/zinc/38/00/53/654380053.db2.gz UBHBNZUFSYFEJR-INIZCTEOSA-N 1 0 378.274 2.050 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c(I)n1 ZINC000922456189 654394651 /nfs/dbraw/zinc/39/46/51/654394651.db2.gz SCHSGPHXVNFVRI-IUCAKERBSA-N 1 0 389.159 2.224 20 0 GEADRO COCCOC[C@H](C)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000893086323 654381750 /nfs/dbraw/zinc/38/17/50/654381750.db2.gz OQFIZTUWYZCIRW-HNNXBMFYSA-N 1 0 390.571 2.106 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835344096 654381691 /nfs/dbraw/zinc/38/16/91/654381691.db2.gz QQNKMGLLHVRMKL-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO C[NH+]1CCN(Cc2cn(Cc3cccc(Cl)c3Br)nn2)CC1 ZINC000905833319 654382848 /nfs/dbraw/zinc/38/28/48/654382848.db2.gz NSHODJRHDCPQTG-UHFFFAOYSA-N 1 0 384.709 2.490 20 0 GEADRO Cn1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c(I)n1 ZINC000905853665 654384920 /nfs/dbraw/zinc/38/49/20/654384920.db2.gz UNJJQYPYKKYZND-UHFFFAOYSA-N 1 0 384.221 2.339 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)NCC1(c2ccccc2Br)CC1 ZINC000893167379 654386964 /nfs/dbraw/zinc/38/69/64/654386964.db2.gz IXTLYNSATMTNEO-UHFFFAOYSA-N 1 0 396.329 2.237 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000872665628 654387956 /nfs/dbraw/zinc/38/79/56/654387956.db2.gz PRKORVVMQWYSJZ-JKSUJKDBSA-N 1 0 375.897 2.324 20 0 GEADRO CC(=O)N(c1nc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cs1)C1CC1 ZINC000922419823 654391445 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2.264 20 0 GEADRO C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000893299667 654395989 /nfs/dbraw/zinc/39/59/89/654395989.db2.gz CKBYIXHMTVZGHD-MBNYWOFBSA-N 1 0 385.555 2.458 20 0 GEADRO O[C@@H](COC1CCOCC1)C[NH+]1CC(Cc2cccc(Br)c2)C1 ZINC000905976819 654396046 /nfs/dbraw/zinc/39/60/46/654396046.db2.gz CFDOJVQFBVEXBB-QGZVFWFLSA-N 1 0 384.314 2.480 20 0 GEADRO C[C@@H](C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(Br)c1 ZINC000922492495 654397304 /nfs/dbraw/zinc/39/73/04/654397304.db2.gz VQWYJAVCLRMYOR-NSHDSACASA-N 1 0 397.360 2.200 20 0 GEADRO O=C(Cc1cccnc1Br)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000855200802 654399642 /nfs/dbraw/zinc/39/96/42/654399642.db2.gz KBPNKHJRGQZBDV-UHFFFAOYSA-N 1 0 396.329 2.394 20 0 GEADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(Br)n1 ZINC000855201739 654399722 /nfs/dbraw/zinc/39/97/22/654399722.db2.gz XDGDSFXZKGUOCD-UHFFFAOYSA-N 1 0 382.302 2.465 20 0 GEADRO Cn1cc([C@H]2CSCCCN2C(=O)NC[C@]2([NH+](C)C)CCSC2)cn1 ZINC000893411400 654399909 /nfs/dbraw/zinc/39/99/09/654399909.db2.gz FTCVRGSZGMFXLT-NVXWUHKLSA-N 1 0 383.587 2.047 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000922533457 654400448 /nfs/dbraw/zinc/40/04/48/654400448.db2.gz BAXFXYVERLOIFW-SAZUREKKSA-N 1 0 397.260 2.207 20 0 GEADRO CC[C@@H](C[NH2+]Cc1cn(C)nc1I)C(=O)OC(C)(C)C ZINC000922598404 654402777 /nfs/dbraw/zinc/40/27/77/654402777.db2.gz FXHLCNHVRYVWTK-JTQLQIEISA-N 1 0 393.269 2.482 20 0 GEADRO CO[C@]1(C[NH2+]Cc2cc3cc(Br)ccc3o2)CCS(=O)(=O)C1 ZINC000922617697 654403739 /nfs/dbraw/zinc/40/37/39/654403739.db2.gz UYDBAXCCGPZQDM-HNNXBMFYSA-N 1 0 388.283 2.489 20 0 GEADRO CO[C@]1(C[NH2+]C[C@@H](C)c2cccc(Br)c2)CCS(=O)(=O)C1 ZINC000922619334 654404128 /nfs/dbraw/zinc/40/41/28/654404128.db2.gz POKJXFLOFOJQMU-DOMZBBRYSA-N 1 0 376.316 2.346 20 0 GEADRO OC1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCC2(CC1)OCCO2 ZINC000922622467 654404600 /nfs/dbraw/zinc/40/46/00/654404600.db2.gz BCAANEOKMBZCMJ-UHFFFAOYSA-N 1 0 396.285 2.235 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2ncc(Br)cc2O)CCCN1Cc1ccccn1 ZINC000893522071 654404930 /nfs/dbraw/zinc/40/49/30/654404930.db2.gz XYQVXPUYRCQCSP-AWEZNQCLSA-N 1 0 391.269 2.226 20 0 GEADRO O=C1[C@H]([NH2+]Cc2ncc(Br)cc2O)CCCN1Cc1ccccn1 ZINC000893522072 654404960 /nfs/dbraw/zinc/40/49/60/654404960.db2.gz XYQVXPUYRCQCSP-CQSZACIVSA-N 1 0 391.269 2.226 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000873051859 654412030 /nfs/dbraw/zinc/41/20/30/654412030.db2.gz PCPUGAVZFNQOIY-UHFFFAOYSA-N 1 0 377.388 2.321 20 0 GEADRO O=C1C[C@H](CC[NH2+]Cc2ncc(Br)cc2Br)CN1 ZINC000922783353 654413162 /nfs/dbraw/zinc/41/31/62/654413162.db2.gz PCTHRKGZDDUEFJ-QMMMGPOBSA-N 1 0 377.080 2.222 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@]1(C)CCCCO1 ZINC000922816966 654414883 /nfs/dbraw/zinc/41/48/83/654414883.db2.gz LTSWZCDOLLUSJG-CJNGLKHVSA-N 1 0 375.922 2.253 20 0 GEADRO CCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@@H]1CC[N@H+](C)C1 ZINC000855363985 654415184 /nfs/dbraw/zinc/41/51/84/654415184.db2.gz XCZUASFXJCRNOL-GFCCVEGCSA-N 1 0 378.274 2.196 20 0 GEADRO C[C@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCCO1 ZINC000922818278 654415371 /nfs/dbraw/zinc/41/53/71/654415371.db2.gz XTKPSURYWJRSKJ-CQSZACIVSA-N 1 0 377.304 2.145 20 0 GEADRO CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)c(CC)c2)CC1 ZINC000906082545 654415557 /nfs/dbraw/zinc/41/55/57/654415557.db2.gz XMFJIMXFARJGHS-UHFFFAOYSA-N 1 0 396.329 2.296 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000873106327 654415626 /nfs/dbraw/zinc/41/56/26/654415626.db2.gz MAJUUCJYDSSCDM-BJOHPYRUSA-N 1 0 375.778 2.365 20 0 GEADRO Cc1sc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)nc1C(C)C ZINC000873106397 654415686 /nfs/dbraw/zinc/41/56/86/654415686.db2.gz IJMNBFWLJHYQGI-VHSXEESVSA-N 1 0 378.420 2.109 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cc(Cl)ccc1Br)C2 ZINC000873108583 654415982 /nfs/dbraw/zinc/41/59/82/654415982.db2.gz OMRNVGBQXCCZKA-BJOHPYRUSA-N 1 0 386.677 2.109 20 0 GEADRO CCn1ncc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1Br ZINC000922845215 654416448 /nfs/dbraw/zinc/41/64/48/654416448.db2.gz NTOSXKNOVFGHHM-UHFFFAOYSA-N 1 0 385.306 2.039 20 0 GEADRO O=C([C@H](O)c1cccc(Br)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922845346 654416517 /nfs/dbraw/zinc/41/65/17/654416517.db2.gz OKDLZJGJBPLKNX-QGZVFWFLSA-N 1 0 397.313 2.242 20 0 GEADRO OC[C@@H]([NH2+]Cc1cccc(F)c1I)[C@@H]1CCCOC1 ZINC000873132364 654417999 /nfs/dbraw/zinc/41/79/99/654417999.db2.gz QFWCANWKRMGWAK-DGCLKSJQSA-N 1 0 379.213 2.307 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873147342 654418567 /nfs/dbraw/zinc/41/85/67/654418567.db2.gz AHMGRPBTAHBEMQ-UHFFFAOYSA-N 1 0 396.285 2.100 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000873155351 654419149 /nfs/dbraw/zinc/41/91/49/654419149.db2.gz IWNHVIZFVIKUBD-QWHCGFSZSA-N 1 0 375.922 2.109 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1nscc1I ZINC000906199226 654420291 /nfs/dbraw/zinc/42/02/91/654420291.db2.gz LWTRVCHUUGRQDM-VHSXEESVSA-N 1 0 377.251 2.104 20 0 GEADRO CCN(C(=O)c1csc(I)n1)[C@@H]1CC[N@H+](CC)C1 ZINC000855485436 654421511 /nfs/dbraw/zinc/42/15/11/654421511.db2.gz CHWFHIJXTCNWLD-SECBINFHSA-N 1 0 379.267 2.304 20 0 GEADRO COc1nsc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1Br ZINC000922953071 654421564 /nfs/dbraw/zinc/42/15/64/654421564.db2.gz OIZRDLOPKXTLOP-LLVKDONJSA-N 1 0 376.320 2.257 20 0 GEADRO COC[C@H](C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C(C)C ZINC000922949493 654421720 /nfs/dbraw/zinc/42/17/20/654421720.db2.gz HKLMKQHXFWWHKS-UONOGXRCSA-N 1 0 377.938 2.213 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000922968138 654422397 /nfs/dbraw/zinc/42/23/97/654422397.db2.gz IUOSSSVHVOUERP-MNOVXSKESA-N 1 0 388.310 2.361 20 0 GEADRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000873197104 654422282 /nfs/dbraw/zinc/42/22/82/654422282.db2.gz VRZSLSHJUZRLQK-QFYYESIMSA-N 1 0 384.274 2.412 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2nscc2I)CCCC1 ZINC000906227402 654422449 /nfs/dbraw/zinc/42/24/49/654422449.db2.gz 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1 0 377.413 2.320 20 0 GEADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1ccc(F)c(C(F)F)c1 ZINC000923679624 654475909 /nfs/dbraw/zinc/47/59/09/654475909.db2.gz JSBSALTZAYWNPC-UHFFFAOYSA-N 1 0 379.448 2.117 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000894444218 654476406 /nfs/dbraw/zinc/47/64/06/654476406.db2.gz FXTKPUBLXBTQOD-UHFFFAOYSA-N 1 0 395.236 2.489 20 0 GEADRO O=C(NCc1cnc(Cl)s1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000923691568 654477607 /nfs/dbraw/zinc/47/76/07/654477607.db2.gz HXVAHSOIMHSMRJ-HNNXBMFYSA-N 1 0 380.901 2.357 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCc2cnc(Cl)s2)CC1 ZINC000923692421 654477625 /nfs/dbraw/zinc/47/76/25/654477625.db2.gz AQIWVLKUNAMCJN-ZIAGYGMSSA-N 1 0 385.965 2.497 20 0 GEADRO O=C(NCc1cnc(Cl)s1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000923690992 654477639 /nfs/dbraw/zinc/47/76/39/654477639.db2.gz JVOMSZATQIQXOG-QGZVFWFLSA-N 1 0 380.901 2.233 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000873888380 654477765 /nfs/dbraw/zinc/47/77/65/654477765.db2.gz GOCDKUJHLCMNDW-LLVKDONJSA-N 1 0 386.290 2.241 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H](CC[NH3+])C2)ccc1Br ZINC000923698026 654478705 /nfs/dbraw/zinc/47/87/05/654478705.db2.gz WKEACERLNBAURN-NSHDSACASA-N 1 0 375.288 2.011 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[C@H]1C[NH3+] ZINC000923699718 654478941 /nfs/dbraw/zinc/47/89/41/654478941.db2.gz LIFRCXPXNXVLGJ-AAEUAGOBSA-N 1 0 385.917 2.220 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[C@H]1C[NH3+] ZINC000923701444 654479228 /nfs/dbraw/zinc/47/92/28/654479228.db2.gz HSJYDUIODAWCAB-RYUDHWBXSA-N 1 0 390.347 2.121 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923701392 654479331 /nfs/dbraw/zinc/47/93/31/654479331.db2.gz UNSCGBCAJXHOSJ-RYUDHWBXSA-N 1 0 382.507 2.293 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1Cl ZINC000923703296 654479693 /nfs/dbraw/zinc/47/96/93/654479693.db2.gz OKMFOPAOTUOTAP-WPRPVWTQSA-N 1 0 380.919 2.102 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923705262 654479966 /nfs/dbraw/zinc/47/99/66/654479966.db2.gz ZFRIVBJUTNMLCR-VXGBXAGGSA-N 1 0 391.331 2.204 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000873911644 654481391 /nfs/dbraw/zinc/48/13/91/654481391.db2.gz MOHVCSJRPCKEHF-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1Cl ZINC000923732624 654481481 /nfs/dbraw/zinc/48/14/81/654481481.db2.gz VUCXATYZRVSBNI-INIZCTEOSA-N 1 0 389.880 2.344 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000894506443 654481593 /nfs/dbraw/zinc/48/15/93/654481593.db2.gz PDPKSECEHRXFQW-GFCCVEGCSA-N 1 0 389.315 2.322 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000923736144 654481809 /nfs/dbraw/zinc/48/18/09/654481809.db2.gz BBCACVDXSHXDAS-SCZZXKLOSA-N 1 0 381.267 2.003 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923737138 654481890 /nfs/dbraw/zinc/48/18/90/654481890.db2.gz XAWDHXKILAWUPJ-MRXNPFEDSA-N 1 0 375.897 2.374 20 0 GEADRO COc1ncccc1S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000906887400 654483249 /nfs/dbraw/zinc/48/32/49/654483249.db2.gz CUPVGMBCIRFVNJ-UHFFFAOYSA-N 1 0 381.523 2.342 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1nccn2c(Br)cnc12 ZINC000856479315 654483215 /nfs/dbraw/zinc/48/32/15/654483215.db2.gz JQQHLZUZDZYNGY-CYBMUJFWSA-N 1 0 392.301 2.344 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000856484898 654483282 /nfs/dbraw/zinc/48/32/82/654483282.db2.gz JGXIEZZWGJKXKI-AWEZNQCLSA-N 1 0 379.917 2.344 20 0 GEADRO C[NH+]1CCC(OCC(=O)OCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000923792000 654483792 /nfs/dbraw/zinc/48/37/92/654483792.db2.gz JJELNWDXXSONHW-UHFFFAOYSA-N 1 0 385.258 2.042 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000873936441 654485160 /nfs/dbraw/zinc/48/51/60/654485160.db2.gz NXHLXETUFLQGDG-BJHJDKERSA-N 1 0 396.285 2.047 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)oc1Cl ZINC000906914312 654487023 /nfs/dbraw/zinc/48/70/23/654487023.db2.gz ZLTQIHQIULQEMP-LBPRGKRZSA-N 1 0 390.889 2.359 20 0 GEADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cnc(Br)cn2)CC1 ZINC000856735038 654488133 /nfs/dbraw/zinc/48/81/33/654488133.db2.gz XAWXHSLGDQAIDU-UHFFFAOYSA-N 1 0 384.322 2.278 20 0 GEADRO CC[C@H]([NH2+]CCS(=O)(=O)C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000856734834 654488183 /nfs/dbraw/zinc/48/81/83/654488183.db2.gz YERVRZUBQGVVJU-KRWDZBQOSA-N 1 0 388.555 2.122 20 0 GEADRO O=C(NCc1ncc(Br)s1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000923946588 654492349 /nfs/dbraw/zinc/49/23/49/654492349.db2.gz PNMHMIXJKTYGFS-NXEZZACHSA-N 1 0 391.360 2.285 20 0 GEADRO O=C(NCc1ccsc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894648084 654492507 /nfs/dbraw/zinc/49/25/07/654492507.db2.gz DTZKLIHGZLXIBT-STQMWFEESA-N 1 0 388.331 2.251 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000894664659 654493333 /nfs/dbraw/zinc/49/33/33/654493333.db2.gz WYLLXPTUARMRRU-UHFFFAOYSA-N 1 0 385.551 2.184 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cn(C)nc2Cl)s1 ZINC000856769017 654493749 /nfs/dbraw/zinc/49/37/49/654493749.db2.gz RDMAQFWCIKGZMJ-UHFFFAOYSA-N 1 0 390.962 2.498 20 0 GEADRO Brc1cnn(C2(c3nc(CC4=[NH+][C@H]5CCCC[C@@H]5N4)no3)CC2)c1 ZINC000923961217 654493868 /nfs/dbraw/zinc/49/38/68/654493868.db2.gz IBQLPGVEHHZDGH-RYUDHWBXSA-N 1 0 391.273 2.421 20 0 GEADRO Cn1cc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Cl)n1 ZINC000856770503 654493843 /nfs/dbraw/zinc/49/38/43/654493843.db2.gz TXNXLFOPZQBCSL-UHFFFAOYSA-N 1 0 382.917 2.158 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000894689659 654494493 /nfs/dbraw/zinc/49/44/93/654494493.db2.gz GVKBDJKXWGTQMT-UHFFFAOYSA-N 1 0 381.221 2.233 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)C[C@H]1C ZINC000906975766 654494991 /nfs/dbraw/zinc/49/49/91/654494991.db2.gz BFGFKKVSVUSGBI-GHMZBOCLSA-N 1 0 378.878 2.213 20 0 GEADRO C[NH+]1CCN(c2cc(CNC(=O)NCC[C@H]3CC3(Cl)Cl)ccn2)CC1 ZINC000856822375 654495974 /nfs/dbraw/zinc/49/59/74/654495974.db2.gz KJFDCWNAQWJLAV-AWEZNQCLSA-N 1 0 386.327 2.217 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCC[C@H]2CC2(Cl)Cl)CC1 ZINC000856827335 654496304 /nfs/dbraw/zinc/49/63/04/654496304.db2.gz HWQOLYQGCPYCLF-AWEZNQCLSA-N 1 0 386.327 2.217 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856849441 654497277 /nfs/dbraw/zinc/49/72/77/654497277.db2.gz PRPSGLYFHZHZBL-ZDUSSCGKSA-N 1 0 384.318 2.392 20 0 GEADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cs1 ZINC000894784471 654498857 /nfs/dbraw/zinc/49/88/57/654498857.db2.gz LMTUJUOGPVEVIG-AWEZNQCLSA-N 1 0 380.491 2.088 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856878697 654499421 /nfs/dbraw/zinc/49/94/21/654499421.db2.gz YWIABBNNNFRLBH-LRDDRELGSA-N 1 0 394.313 2.145 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)oc1Cl ZINC000907014436 654500040 /nfs/dbraw/zinc/50/00/40/654500040.db2.gz OOFNXTCXPCIISW-GFCCVEGCSA-N 1 0 390.889 2.072 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC([NH2+]C2CCC2)CC1 ZINC000894870890 654503363 /nfs/dbraw/zinc/50/33/63/654503363.db2.gz OZODZUATQBCFSG-UHFFFAOYSA-N 1 0 384.322 2.352 20 0 GEADRO CC(C)(C)OC(=O)N1CC(C[NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000894874581 654503641 /nfs/dbraw/zinc/50/36/41/654503641.db2.gz UJWRPIAQNNLKFO-UHFFFAOYSA-N 1 0 386.290 2.067 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]1COCO1 ZINC000894876933 654503688 /nfs/dbraw/zinc/50/36/88/654503688.db2.gz XQVNQPRVLUREJI-CYBMUJFWSA-N 1 0 388.258 2.162 20 0 GEADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(I)cnn1C ZINC000894900725 654504356 /nfs/dbraw/zinc/50/43/56/654504356.db2.gz MRCCBKMXGWTQCW-PWSUYJOCSA-N 1 0 391.253 2.236 20 0 GEADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)C12CC[NH+](CC1)C2 ZINC000924191218 654505255 /nfs/dbraw/zinc/50/52/55/654505255.db2.gz OIZAPYPKYWCFHS-UHFFFAOYSA-N 1 0 375.270 2.347 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nscc2I)C1 ZINC000907063934 654505991 /nfs/dbraw/zinc/50/59/91/654505991.db2.gz DZESPAIANLSLGV-ONGXEEELSA-N 1 0 391.278 2.304 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nscc2I)C1 ZINC000907063931 654506080 /nfs/dbraw/zinc/50/60/80/654506080.db2.gz DZESPAIANLSLGV-GXSJLCMTSA-N 1 0 391.278 2.304 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000924373690 654511594 /nfs/dbraw/zinc/51/15/94/654511594.db2.gz OSBGWJNMYKXHDZ-UHFFFAOYSA-N 1 0 385.917 2.078 20 0 GEADRO CS[C@@H]1CN(C(=O)c2nn(C(C)C)cc2Br)C[C@@H]1[NH+](C)C ZINC000907145191 654514654 /nfs/dbraw/zinc/51/46/54/654514654.db2.gz FFLMQFQSPVIPEQ-NWDGAFQWSA-N 1 0 375.336 2.344 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 ZINC000907153548 654515452 /nfs/dbraw/zinc/51/54/52/654515452.db2.gz OAYKBLDRBOIUQU-UHFFFAOYSA-N 1 0 378.878 2.216 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCc1cn(C)nc1Br ZINC000924557611 654517898 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GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H](O)c1cccc(Br)c1 ZINC000907809082 654580500 /nfs/dbraw/zinc/58/05/00/654580500.db2.gz XCXQRPWRQRSRCV-DYVFJYSZSA-N 1 0 397.313 2.194 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@@H]3CCCc4ncc(Br)cc43)COCCN12 ZINC000926794694 654582200 /nfs/dbraw/zinc/58/22/00/654582200.db2.gz AYYVWUCSJCIYFW-ZBFHGGJFSA-N 1 0 382.258 2.032 20 0 GEADRO C[C@H]([NH2+]Cc1nc(-c2ccncc2)cs1)C1CCN(S(C)(=O)=O)CC1 ZINC000926833920 654583114 /nfs/dbraw/zinc/58/31/14/654583114.db2.gz PWLVCTNAKLWJJI-ZDUSSCGKSA-N 1 0 380.539 2.355 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000907855265 654583389 /nfs/dbraw/zinc/58/33/89/654583389.db2.gz GMUNFULHIXGFPH-UHFFFAOYSA-N 1 0 389.315 2.317 20 0 GEADRO CCO[C@@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000926835047 654583379 /nfs/dbraw/zinc/58/33/79/654583379.db2.gz WQFFXEZMBQKLGL-WFASDCNBSA-N 1 0 378.300 2.293 20 0 GEADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000907854433 654583515 /nfs/dbraw/zinc/58/35/15/654583515.db2.gz YLZMCPFWSIPNGA-UHFFFAOYSA-N 1 0 394.722 2.356 20 0 GEADRO C[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000926913880 654584493 /nfs/dbraw/zinc/58/44/93/654584493.db2.gz VYMDCFKPFXBJOD-AWEZNQCLSA-N 1 0 381.519 2.387 20 0 GEADRO CCO[C@@H](CN[C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)C[NH+](C)C ZINC000926961130 654585122 /nfs/dbraw/zinc/58/51/22/654585122.db2.gz OFJFJAVKGYZQKT-GOEBONIOSA-N 1 0 391.965 2.256 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000926963251 654585173 /nfs/dbraw/zinc/58/51/73/654585173.db2.gz NMSAMRMWWVNYKH-DOMZBBRYSA-N 1 0 381.464 2.484 20 0 GEADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927031213 654590164 /nfs/dbraw/zinc/59/01/64/654590164.db2.gz ZJBWZYKIQQUSOO-HUUCEWRRSA-N 1 0 378.332 2.011 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000927029990 654590332 /nfs/dbraw/zinc/59/03/32/654590332.db2.gz VGXXRCUDCGMIDH-YPMHNXCESA-N 1 0 394.356 2.371 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1nn(C(C)C)cc1Br ZINC000907933485 654590871 /nfs/dbraw/zinc/59/08/71/654590871.db2.gz AWVKHYABJPOPMH-LBPRGKRZSA-N 1 0 375.311 2.049 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000907935214 654590907 /nfs/dbraw/zinc/59/09/07/654590907.db2.gz PYECKEGTQSRVMK-FZMZJTMJSA-N 1 0 393.347 2.407 20 0 GEADRO COc1cc([C@H](C)[NH2+]CCO[C@H]2CCOC2)ccc1S(=O)(=O)C(F)F ZINC000927086269 654591341 /nfs/dbraw/zinc/59/13/41/654591341.db2.gz VVSIHRYGFUWGOF-AAEUAGOBSA-N 1 0 379.425 2.148 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000927110068 654593376 /nfs/dbraw/zinc/59/33/76/654593376.db2.gz PPJRDXHTBDQVHP-CYBMUJFWSA-N 1 0 384.322 2.118 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](O)c1ccnn1C ZINC000927131159 654595231 /nfs/dbraw/zinc/59/52/31/654595231.db2.gz HVZBZJMLQOIDSJ-NHYWBVRUSA-N 1 0 381.274 2.223 20 0 GEADRO COCCOc1c(Cl)cc(N2C(=O)N[C@H](C[NH+](C)C)C2=O)cc1Cl ZINC000927215516 654596185 /nfs/dbraw/zinc/59/61/85/654596185.db2.gz ZAJGHYWMCLWEPP-GFCCVEGCSA-N 1 0 376.240 2.005 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000908013585 654596387 /nfs/dbraw/zinc/59/63/87/654596387.db2.gz HDTPUDXTXJKNQY-PBHICJAKSA-N 1 0 383.286 2.236 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000908123816 654605919 /nfs/dbraw/zinc/60/59/19/654605919.db2.gz BQRFFDKGLHVJON-UHFFFAOYSA-N 1 0 377.286 2.429 20 0 GEADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[NH3+])cc(Br)cc1C(F)(F)F ZINC000927801666 654614869 /nfs/dbraw/zinc/61/48/69/654614869.db2.gz XBOOQUYOBWRNHG-ZCFIWIBFSA-N 1 0 382.180 2.178 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000927808637 654615190 /nfs/dbraw/zinc/61/51/90/654615190.db2.gz DFXNFHJAQLLDBT-RDDDGLTNSA-N 1 0 394.191 2.131 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1Br ZINC000927840821 654616436 /nfs/dbraw/zinc/61/64/36/654616436.db2.gz BDUSSWMNOHGUOL-RKDXNWHRSA-N 1 0 394.191 2.044 20 0 GEADRO COc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000927840398 654616535 /nfs/dbraw/zinc/61/65/35/654616535.db2.gz BCZXJBCZRJASGJ-GXSJLCMTSA-N 1 0 379.766 2.025 20 0 GEADRO O=C(NCCCCCC1CC[NH2+]CC1)C(=O)Nc1cccnc1Br ZINC000927838771 654616555 /nfs/dbraw/zinc/61/65/55/654616555.db2.gz IHXSEBUWKZXHSC-UHFFFAOYSA-N 1 0 397.317 2.459 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Cl)cc1F ZINC000927843404 654616716 /nfs/dbraw/zinc/61/67/16/654616716.db2.gz CBXSLMWVQLIFAF-KWQFWETISA-N 1 0 381.757 2.464 20 0 GEADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000927849324 654617386 /nfs/dbraw/zinc/61/73/86/654617386.db2.gz ZZEBJONKRHXIND-SCZZXKLOSA-N 1 0 394.191 2.126 20 0 GEADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000927851029 654617541 /nfs/dbraw/zinc/61/75/41/654617541.db2.gz JGGNTTHRDKQSIT-GFCCVEGCSA-N 1 0 380.316 2.286 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000908261127 654617722 /nfs/dbraw/zinc/61/77/22/654617722.db2.gz FOMFJOMZHLUKFT-SFHVURJKSA-N 1 0 394.313 2.436 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)CC2 ZINC000927876281 654619103 /nfs/dbraw/zinc/61/91/03/654619103.db2.gz KRVPHYQZPMAXFF-CQSZACIVSA-N 1 0 386.279 2.288 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000927876353 654619338 /nfs/dbraw/zinc/61/93/38/654619338.db2.gz MIHNKKRCRBBVLF-GFCCVEGCSA-N 1 0 386.279 2.288 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000927889014 654619870 /nfs/dbraw/zinc/61/98/70/654619870.db2.gz KMTVCEYKTYUPTM-JTQLQIEISA-N 1 0 375.803 2.120 20 0 GEADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000908317495 654621562 /nfs/dbraw/zinc/62/15/62/654621562.db2.gz ZJPLLXSAWDSKQN-SUMWQHHRSA-N 1 0 397.313 2.194 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927925653 654621738 /nfs/dbraw/zinc/62/17/38/654621738.db2.gz VCCNWOPUXKURFW-MRXNPFEDSA-N 1 0 384.249 2.271 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000927924677 654621789 /nfs/dbraw/zinc/62/17/89/654621789.db2.gz DIKDPSSYDOGPTC-INIZCTEOSA-N 1 0 384.249 2.271 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000927927497 654622039 /nfs/dbraw/zinc/62/20/39/654622039.db2.gz APAXIXNVCPKPKV-JGVFFNPUSA-N 1 0 392.656 2.424 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCc2ccc(Br)c(F)c2C1 ZINC000928014671 654626310 /nfs/dbraw/zinc/62/63/10/654626310.db2.gz JOAJXMYLESXXIK-ZDUSSCGKSA-N 1 0 383.261 2.194 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3nscc3I)C2)C1 ZINC000908423180 654628284 /nfs/dbraw/zinc/62/82/84/654628284.db2.gz MHWFBDACNXCAJV-CYBMUJFWSA-N 1 0 391.278 2.306 20 0 GEADRO O=C(CNC(=O)Nc1cccc(Cl)c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928081977 654629102 /nfs/dbraw/zinc/62/91/02/654629102.db2.gz PQNGXGKJGLLBCV-LSDHHAIUSA-N 1 0 382.917 2.158 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000908593791 654634535 /nfs/dbraw/zinc/63/45/35/654634535.db2.gz NFSLAMXKOKBZFN-UHFFFAOYSA-N 1 0 382.555 2.389 20 0 GEADRO COc1ccc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c(Br)c1 ZINC000908592338 654634557 /nfs/dbraw/zinc/63/45/57/654634557.db2.gz HNOZCTTZYHUUPN-UHFFFAOYSA-N 1 0 385.302 2.423 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000908607221 654635620 /nfs/dbraw/zinc/63/56/20/654635620.db2.gz ZQFIOXBDCDOWFF-UHFFFAOYSA-N 1 0 395.301 2.291 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000908608044 654635726 /nfs/dbraw/zinc/63/57/26/654635726.db2.gz HLCLJGCMNHCUBW-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000908607769 654635765 /nfs/dbraw/zinc/63/57/65/654635765.db2.gz ZOUPFEWCSGMSIL-HNNXBMFYSA-N 1 0 375.296 2.378 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)c2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000928442719 654647475 /nfs/dbraw/zinc/64/74/75/654647475.db2.gz SECPSVCEKFEELX-KRTXAFLBSA-N 1 0 380.176 2.392 20 0 GEADRO C[C@@H]1[C@H](NC(=O)c2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000928442705 654647518 /nfs/dbraw/zinc/64/75/18/654647518.db2.gz SECPSVCEKFEELX-JMCQJSRRSA-N 1 0 380.176 2.392 20 0 GEADRO C[C@@H]1[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC[N@@H+]1C ZINC000928451098 654647912 /nfs/dbraw/zinc/64/79/12/654647912.db2.gz DLPSZEAJYUHXPS-BXUZGUMPSA-N 1 0 387.933 2.239 20 0 GEADRO C[C@@H]1[C@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[N@@H+]1C ZINC000928453266 654648177 /nfs/dbraw/zinc/64/81/77/654648177.db2.gz IQBPYKUUYINVAT-BXUZGUMPSA-N 1 0 378.523 2.137 20 0 GEADRO C[C@H]1[C@@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[N@@H+]1C ZINC000928453268 654648258 /nfs/dbraw/zinc/64/82/58/654648258.db2.gz IQBPYKUUYINVAT-FZMZJTMJSA-N 1 0 378.523 2.137 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)cc1Br ZINC000909247926 654656883 /nfs/dbraw/zinc/65/68/83/654656883.db2.gz TWSYVLYZBXHVBD-HNNXBMFYSA-N 1 0 381.314 2.121 20 0 GEADRO Cc1cccc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1Br ZINC000909318963 654659199 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[NH3+]CCn1cc(Br)cc(C(=O)N2CCCc3ccccc32)c1=O ZINC000911892570 654735477 /nfs/dbraw/zinc/73/54/77/654735477.db2.gz YXBPXNUPOKEPNF-UHFFFAOYSA-N 1 0 376.254 2.163 20 0 GEADRO CO[C@H](C(=O)N(CCO)C1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000911933546 654736616 /nfs/dbraw/zinc/73/66/16/654736616.db2.gz LBWXLRQUJJAJLG-AWEZNQCLSA-N 1 0 391.331 2.113 20 0 GEADRO COc1ccc(CCC(=O)N(CCO)C2CC[NH+](C)CC2)cc1Br ZINC000911935864 654736672 /nfs/dbraw/zinc/73/66/72/654736672.db2.gz YXYVYDXYPDNWIE-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N(CCO)C2CC[NH+](C)CC2)c1 ZINC000911941439 654736876 /nfs/dbraw/zinc/73/68/76/654736876.db2.gz AESAZCXIMCSYOG-UHFFFAOYSA-N 1 0 384.318 2.044 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000931301434 654737436 /nfs/dbraw/zinc/73/74/36/654737436.db2.gz TWIMCUFFUCOHKI-STQMWFEESA-N 1 0 398.349 2.111 20 0 GEADRO C[N@@H+]1C[C@@]2(C)CN(Cc3cc(=O)n4cc(Br)ccc4n3)C[C@@]2(C)C1 ZINC000931309633 654737747 /nfs/dbraw/zinc/73/77/47/654737747.db2.gz 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CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@H]([NH3+])CCSC)c1 ZINC000912114570 654743172 /nfs/dbraw/zinc/74/31/72/654743172.db2.gz VGUUAGGFIHPTDD-OAHLLOKOSA-N 1 0 387.571 2.353 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931484160 654743546 /nfs/dbraw/zinc/74/35/46/654743546.db2.gz OHXKLNRXWLHULW-ZDUSSCGKSA-N 1 0 384.318 2.165 20 0 GEADRO CC[C@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000912168660 654744706 /nfs/dbraw/zinc/74/47/06/654744706.db2.gz KAYJHGPQTVYYCO-GXTWGEPZSA-N 1 0 375.560 2.158 20 0 GEADRO O=C(Nc1nnc(C2CCOCC2)s1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931568381 654747046 /nfs/dbraw/zinc/74/70/46/654747046.db2.gz FIYKMGJCBRSBBF-STQMWFEESA-N 1 0 383.543 2.133 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)NCCc2ccccc2Cl)c1=O ZINC000912237290 654747311 /nfs/dbraw/zinc/74/73/11/654747311.db2.gz DCFXMFNWDFHYOY-UHFFFAOYSA-N 1 0 398.688 2.195 20 0 GEADRO COc1ccccc1C[C@@](C)(CO)[NH2+]C[C@@H](O)c1cc(Br)no1 ZINC000931599419 654748573 /nfs/dbraw/zinc/74/85/73/654748573.db2.gz CFNKSUVVMPBXFH-WBMJQRKESA-N 1 0 385.258 2.062 20 0 GEADRO COc1cc(/C=C/C(=O)N2CC([NH+]3CCCC3)C2)cc(Br)c1O ZINC000912326323 654749847 /nfs/dbraw/zinc/74/98/47/654749847.db2.gz ITNCNGKEQBPWMN-SNAWJCMRSA-N 1 0 381.270 2.483 20 0 GEADRO C[C@]1(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)C[C@@H](O)C[NH2+]1 ZINC000912360165 654751196 /nfs/dbraw/zinc/75/11/96/654751196.db2.gz ZXORISWROPCRFO-XLKFXECMSA-N 1 0 375.372 2.289 20 0 GEADRO C[C@@]1(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)C[C@H](O)C[NH2+]1 ZINC000912360164 654751257 /nfs/dbraw/zinc/75/12/57/654751257.db2.gz ZXORISWROPCRFO-RTHLEPHNSA-N 1 0 375.372 2.289 20 0 GEADRO [NH3+][C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)[C@H]2C[C@H]21 ZINC000912379903 654751710 /nfs/dbraw/zinc/75/17/10/654751710.db2.gz BYYXRWQZWHRUCL-SFDCQRBFSA-N 1 0 382.291 2.261 20 0 GEADRO C[C@]1(NC(=O)c2ccc(I)c(O)c2)C[NH+]2CCC1CC2 ZINC000912377481 654751758 /nfs/dbraw/zinc/75/17/58/654751758.db2.gz OEUODPVPGZCRCX-HNNXBMFYSA-N 1 0 386.233 2.211 20 0 GEADRO CCN(CC(=O)N(C)C)C(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912382591 654751794 /nfs/dbraw/zinc/75/17/94/654751794.db2.gz UDCXIZLSRPXUCJ-UHFFFAOYSA-N 1 0 396.329 2.007 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000931693151 654753785 /nfs/dbraw/zinc/75/37/85/654753785.db2.gz VQLOSIAQGAESCQ-DGCLKSJQSA-N 1 0 380.286 2.428 20 0 GEADRO CN(Cc1ncc(Br)cn1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000931860939 654759219 /nfs/dbraw/zinc/75/92/19/654759219.db2.gz ILKSIOWYMFDBEW-SFHVURJKSA-N 1 0 391.313 2.308 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000912588108 654760084 /nfs/dbraw/zinc/76/00/84/654760084.db2.gz BPDHVAYWZPLHSK-UHFFFAOYSA-N 1 0 376.320 2.118 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)OCCC[NH+](C)C)ccc1Cl ZINC000912591298 654760193 /nfs/dbraw/zinc/76/01/93/654760193.db2.gz DCKYOYHLAJFLPZ-UHFFFAOYSA-N 1 0 376.906 2.479 20 0 GEADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2nscc2I)C12CCC2 ZINC000912600444 654760598 /nfs/dbraw/zinc/76/05/98/654760598.db2.gz LZGDGFFNDCOCJZ-VHSXEESVSA-N 1 0 391.278 2.350 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c2nccnc2c1 ZINC000931989120 654763293 /nfs/dbraw/zinc/76/32/93/654763293.db2.gz NWESCLGZQPEJQI-ZDUSSCGKSA-N 1 0 393.285 2.233 20 0 GEADRO Cn1ccnc1[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc(Br)cc1 ZINC000912678992 654763686 /nfs/dbraw/zinc/76/36/86/654763686.db2.gz RTHIGZYEFNVXHS-HNNXBMFYSA-N 1 0 389.297 2.484 20 0 GEADRO Cn1ccnc1[C@@H](NC(=O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000912679664 654763915 /nfs/dbraw/zinc/76/39/15/654763915.db2.gz ZRFVNDYNKCRSLL-INIZCTEOSA-N 1 0 377.286 2.484 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc2c(Br)cnn2c1 ZINC000932034719 654764813 /nfs/dbraw/zinc/76/48/13/654764813.db2.gz POLGWROSTFVLMV-AWEZNQCLSA-N 1 0 395.301 2.280 20 0 GEADRO O=C(Nc1nc2cc(I)ccc2[nH]1)C12CC[NH+](CC1)C2 ZINC000912708347 654764877 /nfs/dbraw/zinc/76/48/77/654764877.db2.gz NCNJFXUOVTVZEB-UHFFFAOYSA-N 1 0 382.205 2.202 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H](O)c2cccc(Br)c2)CCO1 ZINC000912733184 654765809 /nfs/dbraw/zinc/76/58/09/654765809.db2.gz NGLJEQGSHIBLEW-HZPDHXFCSA-N 1 0 385.302 2.052 20 0 GEADRO C[NH+]1CCC(n2cc(NC(=O)NCc3ncc(Br)cn3)cn2)CC1 ZINC000932144428 654768207 /nfs/dbraw/zinc/76/82/07/654768207.db2.gz ZXEFTEDDHRMZBG-UHFFFAOYSA-N 1 0 394.277 2.024 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000912803207 654768990 /nfs/dbraw/zinc/76/89/90/654768990.db2.gz MHTOWYQKVVVYLW-STQMWFEESA-N 1 0 399.333 2.368 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1nc2ncc(Br)cn2n1 ZINC000912813564 654769141 /nfs/dbraw/zinc/76/91/41/654769141.db2.gz LMHHZCAVQVOOPY-WCQYABFASA-N 1 0 395.305 2.079 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cnc1C1CC1 ZINC000932185612 654769300 /nfs/dbraw/zinc/76/93/00/654769300.db2.gz KPPPLPNWFWBXIH-LBPRGKRZSA-N 1 0 381.318 2.087 20 0 GEADRO CN(C)S(=O)(=O)CCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932209639 654770425 /nfs/dbraw/zinc/77/04/25/654770425.db2.gz XFSTUXHVUJTYPH-ZDUSSCGKSA-N 1 0 377.304 2.144 20 0 GEADRO O=C(c1nscc1I)N1CCC([NH+]2CCC2)CC1 ZINC000912870842 654772148 /nfs/dbraw/zinc/77/21/48/654772148.db2.gz GLXUKFKUJXSGBW-UHFFFAOYSA-N 1 0 377.251 2.058 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CCC([NH+]2CCC2)CC1 ZINC000912883635 654772497 /nfs/dbraw/zinc/77/24/97/654772497.db2.gz LMSUXPWDUULQJC-UHFFFAOYSA-N 1 0 395.297 2.460 20 0 GEADRO COC1CC[NH+](C2(CNC(=O)c3ncc(Br)cn3)CCCC2)CC1 ZINC000932260880 654773329 /nfs/dbraw/zinc/77/33/29/654773329.db2.gz HQFBIDPTHRJRCQ-UHFFFAOYSA-N 1 0 397.317 2.393 20 0 GEADRO O=C(c1ccnc(Cl)c1I)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912913230 654774096 /nfs/dbraw/zinc/77/40/96/654774096.db2.gz IRAMLAHCTXRWDO-VIFPVBQESA-N 1 0 391.640 2.260 20 0 GEADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920050 654774204 /nfs/dbraw/zinc/77/42/04/654774204.db2.gz QAXWPONAEKUVEQ-KGLIPLIRSA-N 1 0 392.297 2.109 20 0 GEADRO O=C(CSc1nncn1-c1cccc(Cl)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912921867 654774490 /nfs/dbraw/zinc/77/44/90/654774490.db2.gz LCJSVGZXOPWATD-HNNXBMFYSA-N 1 0 377.901 2.319 20 0 GEADRO O=C(CSc1nncn1-c1cccc(Cl)c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912921870 654774550 /nfs/dbraw/zinc/77/45/50/654774550.db2.gz LCJSVGZXOPWATD-OAHLLOKOSA-N 1 0 377.901 2.319 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000913005181 654778433 /nfs/dbraw/zinc/77/84/33/654778433.db2.gz BPNZXOQMKUVQHE-GFCCVEGCSA-N 1 0 382.302 2.407 20 0 GEADRO CCO[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000932472513 654778635 /nfs/dbraw/zinc/77/86/35/654778635.db2.gz GRYOYTXPYKOZET-ZDUSSCGKSA-N 1 0 390.311 2.035 20 0 GEADRO CN(C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1C[NH+]2CCC1CC2 ZINC000932538290 654780732 /nfs/dbraw/zinc/78/07/32/654780732.db2.gz HAUPUOLFRNZDPK-ZBFHGGJFSA-N 1 0 392.297 2.428 20 0 GEADRO CNS(=O)(=O)CCC[NH+]1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000932551316 654781484 /nfs/dbraw/zinc/78/14/84/654781484.db2.gz OISLANRWRMDCOU-UHFFFAOYSA-N 1 0 380.539 2.324 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NCC[NH+]1CCSCC1 ZINC000932617839 654783583 /nfs/dbraw/zinc/78/35/83/654783583.db2.gz NFLBZASVUVMZDT-CYBMUJFWSA-N 1 0 398.326 2.040 20 0 GEADRO COC(=O)c1cnc([C@H]2CC[N@H+](C[C@@H](O)COCc3cccs3)C2)s1 ZINC000932660554 654784723 /nfs/dbraw/zinc/78/47/23/654784723.db2.gz QINCPILSMFUFKZ-QWHCGFSZSA-N 1 0 382.507 2.358 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2cnc(Br)c(C)c2)CC1 ZINC000932707320 654785946 /nfs/dbraw/zinc/78/59/46/654785946.db2.gz USDONCNZTDNJBO-UHFFFAOYSA-N 1 0 383.334 2.300 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)C(F)(F)c2cc(Cl)ccc2OC)CC1 ZINC000932701312 654785970 /nfs/dbraw/zinc/78/59/70/654785970.db2.gz JMCONEWTOYMLQP-UHFFFAOYSA-N 1 0 375.847 2.194 20 0 GEADRO C[C@H](CNC(=O)c1cc(Br)cnc1C1CC1)N1CC[NH+](C)CC1 ZINC000932725626 654787502 /nfs/dbraw/zinc/78/75/02/654787502.db2.gz AHIVGCRVGOITFT-GFCCVEGCSA-N 1 0 381.318 2.087 20 0 GEADRO Cc1ncc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(C)c1Br ZINC000932769648 654789274 /nfs/dbraw/zinc/78/92/74/654789274.db2.gz GNLFAZMQZUIGHF-CYBMUJFWSA-N 1 0 385.306 2.429 20 0 GEADRO Cc1ncc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(C)c1Br ZINC000932783830 654790247 /nfs/dbraw/zinc/79/02/47/654790247.db2.gz WZGSFACFIKRUSM-LBPRGKRZSA-N 1 0 398.349 2.466 20 0 GEADRO Cc1ncc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C)c1Br ZINC000932786489 654790450 /nfs/dbraw/zinc/79/04/50/654790450.db2.gz SOEHTFLWFZKUHB-LLVKDONJSA-N 1 0 384.322 2.218 20 0 GEADRO CS(=O)(=O)CCCN1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932809831 654791271 /nfs/dbraw/zinc/79/12/71/654791271.db2.gz OQWCRKRFYRFMLI-HNNXBMFYSA-N 1 0 376.316 2.167 20 0 GEADRO O[C@@H](C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)CC1(O)CCC1 ZINC000932813667 654791563 /nfs/dbraw/zinc/79/15/63/654791563.db2.gz BVQWGTISHWPRKZ-SJLPKXTDSA-N 1 0 384.314 2.399 20 0 GEADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1nc3cc(Br)ccc3o1)CC2 ZINC000932835478 654792995 /nfs/dbraw/zinc/79/29/95/654792995.db2.gz LHNWMEMYSWGIMR-GFCCVEGCSA-N 1 0 394.269 2.053 20 0 GEADRO NS(=O)(=O)C[C@H]1CC[N@H+](CCCCOc2ccc(Br)cc2)C1 ZINC000932946769 654795841 /nfs/dbraw/zinc/79/58/41/654795841.db2.gz UZVQJWVDUYNIOS-ZDUSSCGKSA-N 1 0 391.331 2.219 20 0 GEADRO CCO[C@@H](CNC(=O)Nc1cnc(OC)c(Br)c1C)C[NH+](C)C ZINC000932959694 654798293 /nfs/dbraw/zinc/79/82/93/654798293.db2.gz CPPCRLFIRZXPHP-NSHDSACASA-N 1 0 389.294 2.249 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2c[nH]c3cccc(Br)c32)CC1 ZINC000913678949 654803903 /nfs/dbraw/zinc/80/39/03/654803903.db2.gz FRNSCZHJAPDRKB-UHFFFAOYSA-N 1 0 380.286 2.459 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000913683925 654804171 /nfs/dbraw/zinc/80/41/71/654804171.db2.gz YGZBEDRDSTYAPP-GVDBMIGSSA-N 1 0 393.325 2.250 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1c(F)ccc(Br)c1F ZINC000933303484 654807619 /nfs/dbraw/zinc/80/76/19/654807619.db2.gz VYCBFPYIVYQQSD-UHFFFAOYSA-N 1 0 378.217 2.306 20 0 GEADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc(Br)cn2)CC1 ZINC000913757795 654807996 /nfs/dbraw/zinc/80/79/96/654807996.db2.gz UUJDQXMBDPRTII-UHFFFAOYSA-N 1 0 383.334 2.267 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)c2ccncc2Br)CC1 ZINC000913807311 654810175 /nfs/dbraw/zinc/81/01/75/654810175.db2.gz CKWSQOLYGDRNGK-CQSZACIVSA-N 1 0 383.334 2.437 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccncc2Br)CC1 ZINC000913807310 654810191 /nfs/dbraw/zinc/81/01/91/654810191.db2.gz CKWSQOLYGDRNGK-AWEZNQCLSA-N 1 0 383.334 2.437 20 0 GEADRO Cn1cc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(Br)n1 ZINC000913858035 654812017 /nfs/dbraw/zinc/81/20/17/654812017.db2.gz BUVWXCOQDPAUAP-AWEZNQCLSA-N 1 0 380.290 2.285 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCC(F)(F)F ZINC000933436215 654812609 /nfs/dbraw/zinc/81/26/09/654812609.db2.gz BLVYCAPWYGDDTD-CYBMUJFWSA-N 1 0 383.208 2.011 20 0 GEADRO Cn1cc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(Br)n1 ZINC000913888597 654813939 /nfs/dbraw/zinc/81/39/39/654813939.db2.gz HTKNYHNWIFFTFY-CQSZACIVSA-N 1 0 398.280 2.424 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1cnc(Br)cn1)Cc1ccccc1 ZINC000913888853 654814051 /nfs/dbraw/zinc/81/40/51/654814051.db2.gz MYZQDVXWOZOWGV-OAHLLOKOSA-N 1 0 392.301 2.211 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1cnc(Br)cn1)c1cccc(F)c1 ZINC000913889585 654814085 /nfs/dbraw/zinc/81/40/85/654814085.db2.gz AZORMZBNLLRTJQ-AWEZNQCLSA-N 1 0 396.264 2.480 20 0 GEADRO C[NH+](C)C1CCN(S(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000913912911 654815613 /nfs/dbraw/zinc/81/56/13/654815613.db2.gz LREHXIABWIPMBE-UHFFFAOYSA-N 1 0 379.295 2.444 20 0 GEADRO C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1CS(N)(=O)=O ZINC000933700122 654820495 /nfs/dbraw/zinc/82/04/95/654820495.db2.gz NXTACDXZRZIJHF-RISCZKNCSA-N 1 0 398.326 2.354 20 0 GEADRO COc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)s1 ZINC000913990663 654820842 /nfs/dbraw/zinc/82/08/42/654820842.db2.gz TURWMCIFBGLDOU-UHFFFAOYSA-N 1 0 391.465 2.182 20 0 GEADRO COc1cc(Br)ccc1CCC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721185 654821362 /nfs/dbraw/zinc/82/13/62/654821362.db2.gz AJRUWOFDAACYIK-OKILXGFUSA-N 1 0 388.327 2.367 20 0 GEADRO Cc1nn(C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914072092 654824902 /nfs/dbraw/zinc/82/49/02/654824902.db2.gz GYGVTVRWHGPXFG-PBHICJAKSA-N 1 0 386.949 2.335 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914110813 654827365 /nfs/dbraw/zinc/82/73/65/654827365.db2.gz PWTWWCFGBJJKIL-FNODVLLQSA-N 1 0 399.460 2.162 20 0 GEADRO CCOC(=O)C1([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCOCC1 ZINC000933876267 654829055 /nfs/dbraw/zinc/82/90/55/654829055.db2.gz INFQFGYSLPJTCC-JQWIXIFHSA-N 1 0 377.350 2.273 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000933924770 654830840 /nfs/dbraw/zinc/83/08/40/654830840.db2.gz ZVGMGIUXISWQIV-UHFFFAOYSA-N 1 0 383.905 2.490 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(n3cc(Br)cn3)CC2)C1 ZINC000933945128 654831848 /nfs/dbraw/zinc/83/18/48/654831848.db2.gz QXIVJZKWYLAFBJ-AWEZNQCLSA-N 1 0 381.318 2.325 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc(F)c2Br)CC[N@@H+]1C ZINC000914185291 654833570 /nfs/dbraw/zinc/83/35/70/654833570.db2.gz AZJFHJKPXFFZLP-ZYHUDNBSSA-N 1 0 379.295 2.490 20 0 GEADRO O=c1cc(C[NH2+][C@H](CCO)C2CCCC2)nc2ccc(Br)cn12 ZINC000934007874 654834213 /nfs/dbraw/zinc/83/42/13/654834213.db2.gz BSUOGLZAVYAICJ-OAHLLOKOSA-N 1 0 380.286 2.488 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Nc2nc3ccc4scnc4c3s2)CC1 ZINC000934022378 654834450 /nfs/dbraw/zinc/83/44/50/654834450.db2.gz WTIZKKPVHAJBMO-UHFFFAOYSA-N 1 0 377.495 2.484 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2occc2Br)C1 ZINC000914215983 654835783 /nfs/dbraw/zinc/83/57/83/654835783.db2.gz YGIRGFJDYUHZBG-GFCCVEGCSA-N 1 0 395.319 2.164 20 0 GEADRO O=C1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)CCCCCN1 ZINC000934164403 654837415 /nfs/dbraw/zinc/83/74/15/654837415.db2.gz SPSCONRTYPQERR-OAHLLOKOSA-N 1 0 385.302 2.181 20 0 GEADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)Oc1ccccc1Br ZINC000934169331 654837570 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O=C(CC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO)Nc1ccccc1Br ZINC000934268190 654842145 /nfs/dbraw/zinc/84/21/45/654842145.db2.gz STSDGBOPRMDCBY-SJORKVTESA-N 1 0 396.329 2.309 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934268202 654842157 /nfs/dbraw/zinc/84/21/57/654842157.db2.gz IAKUOCVEPLQJJW-IAGOWNOFSA-N 1 0 397.313 2.267 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000934272297 654842494 /nfs/dbraw/zinc/84/24/94/654842494.db2.gz KLGCXJAORSUMNC-CYBMUJFWSA-N 1 0 383.290 2.215 20 0 GEADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1cnc(Br)cn1 ZINC000914298757 654842948 /nfs/dbraw/zinc/84/29/48/654842948.db2.gz GCUPBYQAJZREAX-AWEZNQCLSA-N 1 0 392.301 2.211 20 0 GEADRO CS(=O)(=O)N(CC[N@@H+]1CC[C@@H](Cc2nccs2)C1)Cc1ccccc1 ZINC000934331566 654845109 /nfs/dbraw/zinc/84/51/09/654845109.db2.gz DRNJXQGKYNDOJL-KRWDZBQOSA-N 1 0 379.551 2.469 20 0 GEADRO COC1CC[NH+](CCNC(=O)Nc2c(Br)cnn2C2CC2)CC1 ZINC000934372171 654847425 /nfs/dbraw/zinc/84/74/25/654847425.db2.gz MVUXIVGJOOLOFZ-UHFFFAOYSA-N 1 0 386.294 2.213 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934375538 654848182 /nfs/dbraw/zinc/84/81/82/654848182.db2.gz YATXXXOAHFJVDF-LLVKDONJSA-N 1 0 388.310 2.195 20 0 GEADRO COc1ccc(C[N@H+](CCCO)C[C@H](O)c2cc(Br)no2)cc1 ZINC000934501247 654851434 /nfs/dbraw/zinc/85/14/34/654851434.db2.gz FWWNNDVGIYWHKR-AWEZNQCLSA-N 1 0 385.258 2.364 20 0 GEADRO C[C@@](CO)([NH2+]C[C@@H](O)COCc1ccco1)c1cccc(Br)c1 ZINC000934497859 654851445 /nfs/dbraw/zinc/85/14/45/654851445.db2.gz QXJTZADOVAUFEL-WBVHZDCISA-N 1 0 384.270 2.417 20 0 GEADRO C[C@](CO)([NH2+]C[C@H](O)COCc1ccco1)c1cccc(Br)c1 ZINC000934497856 654851504 /nfs/dbraw/zinc/85/15/04/654851504.db2.gz QXJTZADOVAUFEL-DOTOQJQBSA-N 1 0 384.270 2.417 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1cc(Cl)cc(Br)c1 ZINC000914421919 654852882 /nfs/dbraw/zinc/85/28/82/654852882.db2.gz HXEJUWMHTLIWEP-UKRRQHHQSA-N 1 0 375.694 2.216 20 0 GEADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000934749483 654857596 /nfs/dbraw/zinc/85/75/96/654857596.db2.gz FZNNWCGCMMEUFT-GKVSMKOHSA-N 1 0 375.485 2.285 20 0 GEADRO CC(=O)NCCCCC[NH2+][C@H](CO)c1ccccc1I ZINC000934827251 654861988 /nfs/dbraw/zinc/86/19/88/654861988.db2.gz UAXKCSQFHKWCFW-OAHLLOKOSA-N 1 0 390.265 2.221 20 0 GEADRO O=C(CN1C(=O)COc2cc(Br)ccc21)OCC[NH+]1CCCCC1 ZINC000915278267 654867399 /nfs/dbraw/zinc/86/73/99/654867399.db2.gz WMQYLYUYAXUIFG-UHFFFAOYSA-N 1 0 397.269 2.204 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1nc(Br)c2ccccn21 ZINC000934950990 654867977 /nfs/dbraw/zinc/86/79/77/654867977.db2.gz BWKYHQQWXOMOIW-CYBMUJFWSA-N 1 0 395.301 2.064 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000915593289 654874432 /nfs/dbraw/zinc/87/44/32/654874432.db2.gz JTGIQHARTFCMBR-JSGCOSHPSA-N 1 0 397.317 2.478 20 0 GEADRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cnc1Br ZINC000935156111 654879186 /nfs/dbraw/zinc/87/91/86/654879186.db2.gz MNPFRROFZQLVLY-HOCLYGCPSA-N 1 0 395.345 2.251 20 0 GEADRO CC[NH+](CC)CCOC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000915800814 654879537 /nfs/dbraw/zinc/87/95/37/654879537.db2.gz QTVZHNKSYKHCRA-UHFFFAOYSA-N 1 0 392.315 2.249 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(=O)[nH]cc2Br)C[C@H]1[NH+]1CCCC1 ZINC000935367386 654889890 /nfs/dbraw/zinc/88/98/90/654889890.db2.gz LJWPINLOCLVELM-CHWSQXEVSA-N 1 0 386.315 2.202 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935481459 654896091 /nfs/dbraw/zinc/89/60/91/654896091.db2.gz PYNHFWYVYAQUNL-NWANDNLSSA-N 1 0 380.286 2.474 20 0 GEADRO C[NH+]1CCC(OCC(=O)N2CCOc3ccc(Br)cc3C2)CC1 ZINC000935864557 654922595 /nfs/dbraw/zinc/92/25/95/654922595.db2.gz MTDDJTVJTVXMRS-UHFFFAOYSA-N 1 0 383.286 2.281 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cn2ncnc12 ZINC000935939345 654929218 /nfs/dbraw/zinc/92/92/18/654929218.db2.gz MGNMEPFACMVAKE-DGCLKSJQSA-N 1 0 378.274 2.191 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn2ncnc12 ZINC000935977789 654931345 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2.360 20 0 GEADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164408718 718854786 /nfs/dbraw/zinc/85/47/86/718854786.db2.gz SRRCKYJYUXMSHE-SJCJKPOMSA-N 1 0 398.816 2.499 20 0 GEADRO C(c1nc2sc3c(c2c(N2CCOCC24C[NH2+]C4)n1)CCC3)N1CCCCC1 ZINC001164401635 718860334 /nfs/dbraw/zinc/86/03/34/718860334.db2.gz GNDXBDTYYKCRLL-UHFFFAOYSA-N 1 0 399.564 2.345 20 0 GEADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164409603 718865406 /nfs/dbraw/zinc/86/54/06/718865406.db2.gz RQZPZBSHNYYZCV-WCQYABFASA-N 1 0 390.818 2.187 20 0 GEADRO O=C1NCCN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)C12C[NH2+]C2 ZINC001164412558 718878549 /nfs/dbraw/zinc/87/85/49/718878549.db2.gz WRNDROIKGJXRKM-UHFFFAOYSA-N 1 0 394.809 2.105 20 0 GEADRO [NH3+][C@@]12C[C@@H]1CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164420091 718896292 /nfs/dbraw/zinc/89/62/92/718896292.db2.gz KCWPWGZAJWJESY-LHSJRXKWSA-N 1 0 399.564 2.330 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc(SC)n3)CC2)CC1 ZINC001164614657 719023822 /nfs/dbraw/zinc/02/38/22/719023822.db2.gz WJQKBJHFULOCDO-UHFFFAOYSA-N 1 0 399.948 2.491 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-n4cnc(C)c4)nn3)CC2)CC1 ZINC001164617848 719029228 /nfs/dbraw/zinc/02/92/28/719029228.db2.gz PWMYFSJIQGKSEQ-UHFFFAOYSA-N 1 0 398.511 2.215 20 0 GEADRO CNS(=O)(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164629045 719096272 /nfs/dbraw/zinc/09/62/72/719096272.db2.gz QOLXWDRCDZRFIP-HKUYNNGSSA-N 1 0 386.521 2.091 20 0 GEADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[NH+](CC(C)C)CC3)nn2)C1 ZINC001164657443 719338002 /nfs/dbraw/zinc/33/80/02/719338002.db2.gz MGCFLATWLJHXKW-QGZVFWFLSA-N 1 0 375.517 2.034 20 0 GEADRO Cn1ncc2c1CN(c1cc(C[NH+](C)C)ccn1)C[C@H]2COc1cccnc1 ZINC001164685976 719600180 /nfs/dbraw/zinc/60/01/80/719600180.db2.gz NDKJEJFZDOUEBG-KRWDZBQOSA-N 1 0 378.480 2.455 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(C)n1)CC2 ZINC001164681801 719704171 /nfs/dbraw/zinc/70/41/71/719704171.db2.gz ASRZPLIARBQUNI-UHFFFAOYSA-N 1 0 387.862 2.164 20 0 GEADRO CCOC(=O)c1cnc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)c(Cl)c1 ZINC001164685845 719721336 /nfs/dbraw/zinc/72/13/36/719721336.db2.gz NQQBAHFHEWGRER-UHFFFAOYSA-N 1 0 394.903 2.093 20 0 GEADRO CCCN(CCC)c1cncc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)n1 ZINC001164687277 719732368 /nfs/dbraw/zinc/73/23/68/719732368.db2.gz VOMRXXAKZRLFKO-UHFFFAOYSA-N 1 0 388.560 2.284 20 0 GEADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cncc(-n4cncn4)n2)CC3)cs1 ZINC001164691310 719814508 /nfs/dbraw/zinc/81/45/08/719814508.db2.gz FPLUROFWFUZURN-UHFFFAOYSA-N 1 0 396.524 2.457 20 0 GEADRO Cn1cc([C@H]2COC3(C2)CCN(c2cccc(N4CC[NH+](C)CC4)n2)CC3)cn1 ZINC001164699624 719826414 /nfs/dbraw/zinc/82/64/14/719826414.db2.gz YHIAWSNLZWMUJF-GOSISDBHSA-N 1 0 396.539 2.110 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C(=O)OC)n1)C2 ZINC001164813655 720073130 /nfs/dbraw/zinc/07/31/30/720073130.db2.gz UUIOGOALONOCMN-LIRRHRJNSA-N 1 0 394.903 2.101 20 0 GEADRO 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c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(OCC5CC5)ncn4)CC[C@H]3C2)c1 ZINC001164979871 722125718 /nfs/dbraw/zinc/12/57/18/722125718.db2.gz QQPVOWCDRGAZON-VQTJNVASSA-N 1 0 395.507 2.388 20 0 GEADRO c1nc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2s1 ZINC001164981861 722127140 /nfs/dbraw/zinc/12/71/40/722127140.db2.gz VJTDRYGARXYHGD-DOTOQJQBSA-N 1 0 382.493 2.209 20 0 GEADRO COC(=O)c1cc(C)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972506 722127493 /nfs/dbraw/zinc/12/74/93/722127493.db2.gz FTACQFKFQASKMD-UYAOXDASSA-N 1 0 396.491 2.299 20 0 GEADRO COC(=O)c1cc(C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972502 722127505 /nfs/dbraw/zinc/12/75/05/722127505.db2.gz FTACQFKFQASKMD-ICSRJNTNSA-N 1 0 396.491 2.299 20 0 GEADRO CCN(CC)c1cncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974364 722131544 /nfs/dbraw/zinc/13/15/44/722131544.db2.gz DJJLQSHNLDKTFM-VQTJNVASSA-N 1 0 396.539 2.445 20 0 GEADRO c1nnc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)o1 ZINC001164981608 722146505 /nfs/dbraw/zinc/14/65/05/722146505.db2.gz POOGQFBUWQHVLL-RTBURBONSA-N 1 0 392.463 2.254 20 0 GEADRO NS(=O)(=O)c1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164995904 722197846 /nfs/dbraw/zinc/19/78/46/722197846.db2.gz ZHUSNDNJKLXFJP-IBGZPJMESA-N 1 0 390.484 2.113 20 0 GEADRO COCCO[C@H]1CCN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]1Cc1cnn(C)c1 ZINC001164999687 722225041 /nfs/dbraw/zinc/22/50/41/722225041.db2.gz OAFGXCWHRLVJRS-SFTDATJTSA-N 1 0 399.539 2.262 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(N3CCCCC3)nn1)CCC2 ZINC001165000139 722250536 /nfs/dbraw/zinc/25/05/36/722250536.db2.gz DXRMKZXBBDJGMQ-UHFFFAOYSA-N 1 0 399.543 2.152 20 0 GEADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cnn2cc(Br)cnc12 ZINC000537641452 531460226 /nfs/dbraw/zinc/46/02/26/531460226.db2.gz RNDDDDPFLADVBY-UHFFFAOYSA-N 1 0 384.197 2.325 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(C)nc2Br)CC1 ZINC000151674746 531514175 /nfs/dbraw/zinc/51/41/75/531514175.db2.gz ZWRARAOORYOYKN-CYBMUJFWSA-N 1 0 383.334 2.156 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000151430816 531500911 /nfs/dbraw/zinc/50/09/11/531500911.db2.gz CJAXJIVKLXNBIC-OAHLLOKOSA-N 1 0 395.301 2.219 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc(Cl)c(Cl)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000151779206 531519194 /nfs/dbraw/zinc/51/91/94/531519194.db2.gz JMJPOSGBBJKKHN-NSHDSACASA-N 1 0 396.340 2.293 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000152401425 531546563 /nfs/dbraw/zinc/54/65/63/531546563.db2.gz ITCWRWSPCGRTPK-MRXNPFEDSA-N 1 0 394.313 2.136 20 0 GEADRO Cc1c(Br)cccc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000152382022 531547617 /nfs/dbraw/zinc/54/76/17/531547617.db2.gz ITVDEECNPRKNFH-INIZCTEOSA-N 1 0 394.313 2.136 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(C)ccc2Br)CC1 ZINC000152444923 531551907 /nfs/dbraw/zinc/55/19/07/531551907.db2.gz QBFNWXZUCPDRDH-UHFFFAOYSA-N 1 0 396.329 2.384 20 0 GEADRO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c2cc(Br)ccc2n1 ZINC000152635146 531563272 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GEADRO CN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000153523561 531603148 /nfs/dbraw/zinc/60/31/48/531603148.db2.gz GLXCCVIJMDOBME-CYBMUJFWSA-N 1 0 383.286 2.315 20 0 GEADRO CN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@H]1CCC[N@H+](C)C1 ZINC000153908054 531612769 /nfs/dbraw/zinc/61/27/69/531612769.db2.gz OUBTZPVVLGRDJI-LBPRGKRZSA-N 1 0 378.270 2.457 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cncc(Br)c1)[NH+]1CCC(C)CC1 ZINC000153940235 531614749 /nfs/dbraw/zinc/61/47/49/531614749.db2.gz HBZUFNJEKQFZQP-GFCCVEGCSA-N 1 0 383.290 2.019 20 0 GEADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000153974732 531614839 /nfs/dbraw/zinc/61/48/39/531614839.db2.gz LEEDQKWURCBEAW-WFASDCNBSA-N 1 0 382.302 2.107 20 0 GEADRO CC(C)[NH+]1CCN(CC(=O)Nc2cccc(I)c2)CC1 ZINC000027419336 531624837 /nfs/dbraw/zinc/62/48/37/531624837.db2.gz KSWQHYMHXGXPFL-UHFFFAOYSA-N 1 0 387.265 2.256 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC1(C[NH3+])CCCC1)c1ccc(Br)cc1 ZINC000154385101 531623902 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GEADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(Br)c[nH]1 ZINC000032065497 531648418 /nfs/dbraw/zinc/64/84/18/531648418.db2.gz FRDZMSILZBIKIP-UHFFFAOYSA-N 1 0 391.313 2.325 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746344 531662252 /nfs/dbraw/zinc/66/22/52/531662252.db2.gz YITYFFYORAPLJV-FOSCPWQOSA-N 1 0 375.288 2.019 20 0 GEADRO CN(CC(=O)NCC1([NH+](C)C)CCCC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000042762823 531672329 /nfs/dbraw/zinc/67/23/29/531672329.db2.gz UVULBHPRUBUYCE-UHFFFAOYSA-N 1 0 393.962 2.013 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)CCCC1 ZINC000042765410 531672528 /nfs/dbraw/zinc/67/25/28/531672528.db2.gz BFYYOENFEONZJL-UHFFFAOYSA-N 1 0 385.555 2.137 20 0 GEADRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)cc1Br ZINC000155510061 531685586 /nfs/dbraw/zinc/68/55/86/531685586.db2.gz PRTDZMQJZAPQGC-CQSZACIVSA-N 1 0 396.329 2.383 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000155540050 531687893 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O=C(c1cncc(I)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000156183471 531719651 /nfs/dbraw/zinc/71/96/51/531719651.db2.gz ZQBQSJNPZHHLTP-UHFFFAOYSA-N 1 0 394.216 2.044 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCc1ccc(Br)s1 ZINC000049365189 531736807 /nfs/dbraw/zinc/73/68/07/531736807.db2.gz VBIXKIONFMZENN-UHFFFAOYSA-N 1 0 376.320 2.422 20 0 GEADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000157361815 531740656 /nfs/dbraw/zinc/74/06/56/531740656.db2.gz ZKXKSCLBJLGXPE-OAHLLOKOSA-N 1 0 391.331 2.346 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000157432507 531741471 /nfs/dbraw/zinc/74/14/71/531741471.db2.gz MNSOLAXQYDLBKQ-LBPRGKRZSA-N 1 0 382.507 2.403 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000157445794 531741792 /nfs/dbraw/zinc/74/17/92/531741792.db2.gz WTWSNGXBZYGRBQ-LBPRGKRZSA-N 1 0 378.274 2.101 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000157855923 531757937 /nfs/dbraw/zinc/75/79/37/531757937.db2.gz 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ZINC000162781887 531851244 /nfs/dbraw/zinc/85/12/44/531851244.db2.gz GMNKLFOBXQIHFA-SNVBAGLBSA-N 1 0 376.320 2.216 20 0 GEADRO Cc1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1Br ZINC000163271446 531855598 /nfs/dbraw/zinc/85/55/98/531855598.db2.gz MNYIWCBNDBCRMY-UHFFFAOYSA-N 1 0 394.313 2.138 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)cnc2Cl)CC1 ZINC000060344294 531840833 /nfs/dbraw/zinc/84/08/33/531840833.db2.gz MUADCTMQUUKTTJ-UHFFFAOYSA-N 1 0 389.725 2.255 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1Br ZINC000060359742 531841030 /nfs/dbraw/zinc/84/10/30/531841030.db2.gz WGNSXUHZFUSXQK-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO O=C(Cn1ccnc1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000162668232 531845048 /nfs/dbraw/zinc/84/50/48/531845048.db2.gz NLBLPHRPELDTNN-UHFFFAOYSA-N 1 0 377.286 2.426 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000063723560 531858968 /nfs/dbraw/zinc/85/89/68/531858968.db2.gz KLBZNNDSVXPWGG-UHFFFAOYSA-N 1 0 394.269 2.041 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163772478 531862638 /nfs/dbraw/zinc/86/26/38/531862638.db2.gz GIDWABSFFJGDLH-MNOVXSKESA-N 1 0 377.304 2.063 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000163657753 531863510 /nfs/dbraw/zinc/86/35/10/531863510.db2.gz OXKQVCQMYQNPLI-IRXDYDNUSA-N 1 0 386.323 2.265 20 0 GEADRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000165382381 531872535 /nfs/dbraw/zinc/87/25/35/531872535.db2.gz AQXONNHLSODXST-AWEZNQCLSA-N 1 0 395.301 2.163 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000170760040 531892449 /nfs/dbraw/zinc/89/24/49/531892449.db2.gz KFUBKHMDCDCKPT-GJZGRUSLSA-N 1 0 395.345 2.475 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170924071 531893910 /nfs/dbraw/zinc/89/39/10/531893910.db2.gz QMPXZNNAZHFKGY-MRXNPFEDSA-N 1 0 394.313 2.266 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000068080128 531895280 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C[NH+]1CCN(C[C@@H](NC(=O)c2cc(Br)c[nH]2)c2ccccc2)CC1 ZINC000068191180 531901330 /nfs/dbraw/zinc/90/13/30/531901330.db2.gz HHGZDJXFUFVATB-QGZVFWFLSA-N 1 0 391.313 2.496 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000171323201 531903636 /nfs/dbraw/zinc/90/36/36/531903636.db2.gz JRZPEUBBDZYCPT-HNNXBMFYSA-N 1 0 381.885 2.020 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000068591669 531904898 /nfs/dbraw/zinc/90/48/98/531904898.db2.gz LVZJGKUXSZFEKX-GFCCVEGCSA-N 1 0 385.306 2.417 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000074617136 531917190 /nfs/dbraw/zinc/91/71/90/531917190.db2.gz TVSHBMXXWSOELG-CYBMUJFWSA-N 1 0 375.922 2.453 20 0 GEADRO CC(C)[NH+](CCCNC(=O)CS(=O)(=O)NC1CCC(C)CC1)C(C)C ZINC000074331101 531918718 /nfs/dbraw/zinc/91/87/18/531918718.db2.gz VQRSWDABOWOABM-UHFFFAOYSA-N 1 0 375.579 2.110 20 0 GEADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)n1cncn1 ZINC000171944946 531924690 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O=C(Nc1cc(F)ccc1Br)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000119474301 531970164 /nfs/dbraw/zinc/97/01/64/531970164.db2.gz CKLOTBDUPJNJIQ-GFCCVEGCSA-N 1 0 384.249 2.127 20 0 GEADRO COc1cccc([C@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)[NH+](C)C)c1 ZINC000172981650 531976902 /nfs/dbraw/zinc/97/69/02/531976902.db2.gz GKKQHTQGAOPMMQ-HNNXBMFYSA-N 1 0 394.269 2.179 20 0 GEADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000120221527 531977838 /nfs/dbraw/zinc/97/78/38/531977838.db2.gz CEASJPOOQJLJGA-GFCCVEGCSA-N 1 0 395.978 2.115 20 0 GEADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000173199854 531994627 /nfs/dbraw/zinc/99/46/27/531994627.db2.gz UALHCIZKOAAPBN-LLVKDONJSA-N 1 0 377.279 2.447 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000173073275 531984598 /nfs/dbraw/zinc/98/45/98/531984598.db2.gz XLOABLZMDPPFAQ-JKSUJKDBSA-N 1 0 384.307 2.329 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1Br ZINC000173220750 531996173 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Cc1ccc([C@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)[NH+](C)C)cc1 ZINC000173284476 532000644 /nfs/dbraw/zinc/00/06/44/532000644.db2.gz MJDLQDRANICQPJ-HNNXBMFYSA-N 1 0 378.270 2.479 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000120955467 532003947 /nfs/dbraw/zinc/00/39/47/532003947.db2.gz LVSIJXIYEUDUMK-UHFFFAOYSA-N 1 0 391.331 2.468 20 0 GEADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000120965181 532004514 /nfs/dbraw/zinc/00/45/14/532004514.db2.gz AJGONWPKUOUWFE-LBPRGKRZSA-N 1 0 388.306 2.207 20 0 GEADRO O=C(NC[C@@H]1CSCCS1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000120979939 532006521 /nfs/dbraw/zinc/00/65/21/532006521.db2.gz QCNGVYIPMIEDCJ-GOSISDBHSA-N 1 0 380.579 2.469 20 0 GEADRO CCCNC(=O)CN(C)C(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000173373379 532007274 /nfs/dbraw/zinc/00/72/74/532007274.db2.gz LLWKFGSXGPWHHP-UHFFFAOYSA-N 1 0 398.345 2.344 20 0 GEADRO CC[NH+](CC)CC(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000121029744 532009971 /nfs/dbraw/zinc/00/99/71/532009971.db2.gz IDBHCFZZUSZFOR-UHFFFAOYSA-N 1 0 390.221 2.358 20 0 GEADRO Cc1c(Br)cccc1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000173410820 532009413 /nfs/dbraw/zinc/00/94/13/532009413.db2.gz PLGFAMJPVULQLV-UHFFFAOYSA-N 1 0 396.329 2.288 20 0 GEADRO C[NH2+]CCCNC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000121074426 532011150 /nfs/dbraw/zinc/01/11/50/532011150.db2.gz OZWRVSGVUZPYKX-UHFFFAOYSA-N 1 0 388.331 2.237 20 0 GEADRO C[C@H](CNC(=O)[C@@H](C)Oc1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000173719315 532027873 /nfs/dbraw/zinc/02/78/73/532027873.db2.gz GLQOOSBZNNRODZ-HUUCEWRRSA-N 1 0 398.345 2.216 20 0 GEADRO Cc1ccc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000121424086 532029304 /nfs/dbraw/zinc/02/93/04/532029304.db2.gz ZRVCRSYJYFLHEB-HNNXBMFYSA-N 1 0 395.345 2.395 20 0 GEADRO C[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C1CCN(S(C)(=O)=O)CC1 ZINC000121564499 532035443 /nfs/dbraw/zinc/03/54/43/532035443.db2.gz QWTWEQIWRRMTEE-UHFFFAOYSA-N 1 0 384.889 2.246 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000173854708 532038403 /nfs/dbraw/zinc/03/84/03/532038403.db2.gz NGYRIEAMOFDAOX-YJBOKZPZSA-N 1 0 393.329 2.385 20 0 GEADRO CCC[C@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[N@@H+]1CCOC ZINC000121768781 532046802 /nfs/dbraw/zinc/04/68/02/532046802.db2.gz FDIWJDBFVVLCFI-HNNXBMFYSA-N 1 0 399.333 2.215 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000174024364 532047716 /nfs/dbraw/zinc/04/77/16/532047716.db2.gz DFNHEUQYNBLTOH-JTQLQIEISA-N 1 0 396.738 2.460 20 0 GEADRO CN(CC(=O)NCC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000121850028 532049876 /nfs/dbraw/zinc/04/98/76/532049876.db2.gz XVLARAKZQLNTQQ-UHFFFAOYSA-N 1 0 393.962 2.014 20 0 GEADRO CC(C)CN(CC(N)=O)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000174114483 532050081 /nfs/dbraw/zinc/05/00/81/532050081.db2.gz DALXVINCJCQQKP-UHFFFAOYSA-N 1 0 378.217 2.109 20 0 GEADRO O=C(/C=C/c1c(Cl)nc2sccn12)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174173016 532053932 /nfs/dbraw/zinc/05/39/32/532053932.db2.gz ZRPXZRLKGCFQCP-AORQRIRUSA-N 1 0 380.901 2.243 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000121976396 532054663 /nfs/dbraw/zinc/05/46/63/532054663.db2.gz URFQKMRPEQEWIO-GFCCVEGCSA-N 1 0 393.962 2.061 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000174205247 532055365 /nfs/dbraw/zinc/05/53/65/532055365.db2.gz OZBWLOVYZCVTKX-HNNXBMFYSA-N 1 0 381.318 2.086 20 0 GEADRO O=C(NC[C@H]1CCCN(C(=O)c2ccccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000122132292 532058693 /nfs/dbraw/zinc/05/86/93/532058693.db2.gz UGSUMVGTHUVPCT-CJNGLKHVSA-N 1 0 394.313 2.170 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCOCC1 ZINC000122161624 532060348 /nfs/dbraw/zinc/06/03/48/532060348.db2.gz PGAYTYVVXMXSHU-UHFFFAOYSA-N 1 0 384.395 2.234 20 0 GEADRO CC1CC[NH+](C2CCC(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000122261500 532063087 /nfs/dbraw/zinc/06/30/87/532063087.db2.gz APBYMGNERMCZQD-OFLPRAFFSA-N 1 0 388.599 2.066 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1ccc(OCC(F)F)cc1)c1cccs1 ZINC000122262697 532062425 /nfs/dbraw/zinc/06/24/25/532062425.db2.gz GHGPGWVEAZJPBT-UHFFFAOYSA-N 1 0 376.450 2.460 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000122332113 532065746 /nfs/dbraw/zinc/06/57/46/532065746.db2.gz NNSOBVAOWHYKFS-WBMJQRKESA-N 1 0 386.901 2.231 20 0 GEADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000122530276 532074715 /nfs/dbraw/zinc/07/47/15/532074715.db2.gz HDFNQEKQDKFPGT-LBPRGKRZSA-N 1 0 380.341 2.049 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000174782218 532078473 /nfs/dbraw/zinc/07/84/73/532078473.db2.gz CTDDLSGULJTSFL-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2OC)CC[C@@H]1[NH3+] ZINC000122642470 532079076 /nfs/dbraw/zinc/07/90/76/532079076.db2.gz DRKYQNGUZWUZTP-JQWIXIFHSA-N 1 0 377.304 2.206 20 0 GEADRO C[NH+](C)CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000174982590 532085331 /nfs/dbraw/zinc/08/53/31/532085331.db2.gz JMNSWWMTHWWCFZ-UHFFFAOYSA-N 1 0 377.286 2.415 20 0 GEADRO CNC(=O)CC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000175042758 532087990 /nfs/dbraw/zinc/08/79/90/532087990.db2.gz ZCHZKFOPJGYOCE-HNNXBMFYSA-N 1 0 385.302 2.037 20 0 GEADRO CC[C@@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)[NH+](C)C ZINC000122982905 532088111 /nfs/dbraw/zinc/08/81/11/532088111.db2.gz PHGHXUQUPKAGNW-HNNXBMFYSA-N 1 0 384.318 2.242 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122961254 532088204 /nfs/dbraw/zinc/08/82/04/532088204.db2.gz ROLJXSLDJOXKSO-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)ccc1Br ZINC000175217637 532093724 /nfs/dbraw/zinc/09/37/24/532093724.db2.gz DRJBWHRUMKRJNH-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000175277531 532096041 /nfs/dbraw/zinc/09/60/41/532096041.db2.gz GXJKLCABVADMPW-LLVKDONJSA-N 1 0 377.304 2.078 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000175277558 532096272 /nfs/dbraw/zinc/09/62/72/532096272.db2.gz GXJKLCABVADMPW-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000175286876 532097032 /nfs/dbraw/zinc/09/70/32/532097032.db2.gz MBOWCSAWMDESMI-LLVKDONJSA-N 1 0 377.304 2.030 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000123330375 532097897 /nfs/dbraw/zinc/09/78/97/532097897.db2.gz RBEMHUPNYPRJAD-CYBMUJFWSA-N 1 0 380.286 2.332 20 0 GEADRO COc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1Br ZINC000175305155 532098071 /nfs/dbraw/zinc/09/80/71/532098071.db2.gz KVQHWASWBVMRBB-RISCZKNCSA-N 1 0 391.331 2.418 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCCc1nc(C(F)(F)F)cs1 ZINC000175519294 532106424 /nfs/dbraw/zinc/10/64/24/532106424.db2.gz DAASNUVLWCTUOD-UHFFFAOYSA-N 1 0 380.436 2.116 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000123472378 532100107 /nfs/dbraw/zinc/10/01/07/532100107.db2.gz PCFQNAUZUJQPOJ-UHFFFAOYSA-N 1 0 379.320 2.418 20 0 GEADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(OC)ccc1Br ZINC000175362745 532100718 /nfs/dbraw/zinc/10/07/18/532100718.db2.gz ZHIHGLGRFWKYLN-UHFFFAOYSA-N 1 0 379.320 2.468 20 0 GEADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ncn(C)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000175848063 532116819 /nfs/dbraw/zinc/11/68/19/532116819.db2.gz LXAYYVFHIZTKCY-UKRRQHHQSA-N 1 0 382.917 2.405 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)CCNS(=O)(=O)c2cccs2)([NH+](C)C)C1 ZINC000124481539 532122434 /nfs/dbraw/zinc/12/24/34/532122434.db2.gz CBPBFZOOAGOYFF-RHSMWYFYSA-N 1 0 387.571 2.043 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[N@@H+]1C1CC1 ZINC000124055905 532113506 /nfs/dbraw/zinc/11/35/06/532113506.db2.gz XQSASTGMPOWDGC-VXGBXAGGSA-N 1 0 375.897 2.371 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NC2(C[NH3+])CCCC2)cn1 ZINC000124059221 532113943 /nfs/dbraw/zinc/11/39/43/532113943.db2.gz BBQGLXZTWGNZNN-UHFFFAOYSA-N 1 0 384.889 2.084 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000124143097 532114819 /nfs/dbraw/zinc/11/48/19/532114819.db2.gz HQAOVBFHRYQHTP-LBPRGKRZSA-N 1 0 380.286 2.297 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C[N@@H+]1C1CC1 ZINC000124195493 532115707 /nfs/dbraw/zinc/11/57/07/532115707.db2.gz SQNXYZZXFHJFDM-DGCLKSJQSA-N 1 0 390.285 2.385 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000124855092 532130298 /nfs/dbraw/zinc/13/02/98/532130298.db2.gz HOWYORNNUUYART-VIFPVBQESA-N 1 0 397.722 2.484 20 0 GEADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000124977954 532132126 /nfs/dbraw/zinc/13/21/26/532132126.db2.gz PUGBWPHJJMQASB-KGLIPLIRSA-N 1 0 387.571 2.001 20 0 GEADRO CN(CC[NH+](C)C)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000176269261 532132335 /nfs/dbraw/zinc/13/23/35/532132335.db2.gz MXFFDOFLAJALLG-CQSZACIVSA-N 1 0 383.334 2.478 20 0 GEADRO CNC(=O)[C@H](C)C[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000176351820 532135397 /nfs/dbraw/zinc/13/53/97/532135397.db2.gz YGTVXHAVRVPQTN-PWSUYJOCSA-N 1 0 393.709 2.156 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC[NH+](C)C)c1 ZINC000176808413 532150539 /nfs/dbraw/zinc/15/05/39/532150539.db2.gz JGTOQJVQJGHZHW-UHFFFAOYSA-N 1 0 375.922 2.004 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000176867616 532152342 /nfs/dbraw/zinc/15/23/42/532152342.db2.gz YQIIPUCGWFEQJI-UHFFFAOYSA-N 1 0 382.511 2.142 20 0 GEADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1occc1Br ZINC000127427823 532154077 /nfs/dbraw/zinc/15/40/77/532154077.db2.gz ORWVCLIRPKQHLM-KGLIPLIRSA-N 1 0 379.254 2.407 20 0 GEADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1nnnn1CC[NH+](C)C ZINC000128732905 532167482 /nfs/dbraw/zinc/16/74/82/532167482.db2.gz TZTIGKCIHOPCHT-GFCCVEGCSA-N 1 0 382.921 2.200 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(I)c1 ZINC000127641751 532156463 /nfs/dbraw/zinc/15/64/63/532156463.db2.gz QLUOWJIMTMMONQ-KGLIPLIRSA-N 1 0 385.249 2.385 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000127927689 532159300 /nfs/dbraw/zinc/15/93/00/532159300.db2.gz LDKBNWJZZUDMBE-IUODEOHRSA-N 1 0 398.276 2.061 20 0 GEADRO C[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1ccc(Cl)s1 ZINC000177069945 532160496 /nfs/dbraw/zinc/16/04/96/532160496.db2.gz YGBSOGUVNLPVLI-LLVKDONJSA-N 1 0 383.905 2.018 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000128229233 532162446 /nfs/dbraw/zinc/16/24/46/532162446.db2.gz ZFDHJJXQAZHJCM-IACUBPJLSA-N 1 0 380.286 2.188 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177131551 532162995 /nfs/dbraw/zinc/16/29/95/532162995.db2.gz KRAFTHUVVCJUKQ-AWEZNQCLSA-N 1 0 398.345 2.359 20 0 GEADRO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177218407 532164696 /nfs/dbraw/zinc/16/46/96/532164696.db2.gz UEPUTQVSQQJQOX-ZDUSSCGKSA-N 1 0 381.464 2.472 20 0 GEADRO CC[N@H+](CCOc1ccc(Br)cc1)CCC(=O)N1CCOCC1 ZINC000129708661 532183195 /nfs/dbraw/zinc/18/31/95/532183195.db2.gz ULBXVQSGLTVAQR-UHFFFAOYSA-N 1 0 385.302 2.399 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000177863006 532184928 /nfs/dbraw/zinc/18/49/28/532184928.db2.gz VDMCZCBQVGRQSY-AWEZNQCLSA-N 1 0 387.933 2.097 20 0 GEADRO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000177461666 532172514 /nfs/dbraw/zinc/17/25/14/532172514.db2.gz NWRRJCJKRIFRRM-KRWDZBQOSA-N 1 0 383.286 2.293 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000129895688 532185572 /nfs/dbraw/zinc/18/55/72/532185572.db2.gz PSOKWISCJAVVDL-GFCCVEGCSA-N 1 0 399.563 2.018 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000177536666 532175611 /nfs/dbraw/zinc/17/56/11/532175611.db2.gz ATUBCDYCVHIJJD-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO [NH3+][C@H](CNS(=O)(=O)c1ccc(Br)cc1Br)C1CC1 ZINC000129287149 532175920 /nfs/dbraw/zinc/17/59/20/532175920.db2.gz DOEFJMDTODWJTJ-SNVBAGLBSA-N 1 0 398.120 2.227 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000130442216 532192026 /nfs/dbraw/zinc/19/20/26/532192026.db2.gz SUTBFSGBTKYFET-BBRMVZONSA-N 1 0 396.329 2.462 20 0 GEADRO O=C(c1cccnc1SC(F)(F)F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178090821 532192837 /nfs/dbraw/zinc/19/28/37/532192837.db2.gz LWZNHPYXUPQFPS-GFCCVEGCSA-N 1 0 375.416 2.488 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000131325149 532196186 /nfs/dbraw/zinc/19/61/86/532196186.db2.gz JAZMWSRSCHZSHN-IAGOWNOFSA-N 1 0 386.323 2.441 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000178297185 532197561 /nfs/dbraw/zinc/19/75/61/532197561.db2.gz NGXKKYDWQXNACE-UHFFFAOYSA-N 1 0 381.274 2.295 20 0 GEADRO CCOc1c(Br)cc(CNC[C@@](C)(O)C[NH+](C)C)cc1OC ZINC000131476452 532197931 /nfs/dbraw/zinc/19/79/31/532197931.db2.gz DIONXLSYURMBEA-MRXNPFEDSA-N 1 0 375.307 2.259 20 0 GEADRO O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)[C@@H]1C[NH2+]CCO1 ZINC000178359215 532200296 /nfs/dbraw/zinc/20/02/96/532200296.db2.gz FKGFUJCLMJYPOU-ZDUSSCGKSA-N 1 0 382.283 2.423 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000131851506 532205140 /nfs/dbraw/zinc/20/51/40/532205140.db2.gz MZWINYWACFESRB-UHFFFAOYSA-N 1 0 384.278 2.144 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)NCC[C@@H](C)[NH3+])c(Cl)cc1Cl ZINC000178634373 532207855 /nfs/dbraw/zinc/20/78/55/532207855.db2.gz IENMCLBFEWVIFS-SNVBAGLBSA-N 1 0 396.340 2.395 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCOc2cccc(Cl)c2Cl)C1 ZINC000132158988 532210770 /nfs/dbraw/zinc/21/07/70/532210770.db2.gz OAVZDTPRDFBKHX-LBPRGKRZSA-N 1 0 388.295 2.076 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178756852 532211620 /nfs/dbraw/zinc/21/16/20/532211620.db2.gz ADBGAMXUSLRHJI-MRVPVSSYSA-N 1 0 394.640 2.435 20 0 GEADRO O=C(C[NH2+][C@]1(CO)CCc2ccccc21)Nc1ccc(Br)cn1 ZINC000132336961 532213638 /nfs/dbraw/zinc/21/36/38/532213638.db2.gz LXXOFOKGZKCLMX-KRWDZBQOSA-N 1 0 376.254 2.206 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000178858190 532214641 /nfs/dbraw/zinc/21/46/41/532214641.db2.gz OKNFERKQLZHHCL-OCCSQVGLSA-N 1 0 394.313 2.388 20 0 GEADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000178893060 532215793 /nfs/dbraw/zinc/21/57/93/532215793.db2.gz BSRQEPZFZMWRPX-QMMMGPOBSA-N 1 0 387.221 2.498 20 0 GEADRO CCCN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000178897792 532216601 /nfs/dbraw/zinc/21/66/01/532216601.db2.gz DDMNNVLTJZLHFE-CVEARBPZSA-N 1 0 394.313 2.403 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000132500091 532216950 /nfs/dbraw/zinc/21/69/50/532216950.db2.gz JVOYYVMKLRLDEA-SNVBAGLBSA-N 1 0 384.139 2.483 20 0 GEADRO CCCN(C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000178925295 532217476 /nfs/dbraw/zinc/21/74/76/532217476.db2.gz FGSZPPBDIFUGNJ-MNOVXSKESA-N 1 0 388.331 2.229 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000178917986 532217621 /nfs/dbraw/zinc/21/76/21/532217621.db2.gz MDWANJXENUBXHW-JTQLQIEISA-N 1 0 387.221 2.498 20 0 GEADRO COC[C@](C)(CCO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000132575505 532218075 /nfs/dbraw/zinc/21/80/75/532218075.db2.gz LZLLSIHZDYYKRV-WFASDCNBSA-N 1 0 396.709 2.219 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000178458425 532202918 /nfs/dbraw/zinc/20/29/18/532202918.db2.gz DGIZGVNSTYRZBO-CQSZACIVSA-N 1 0 397.313 2.181 20 0 GEADRO C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)c3c(F)cccc3Cl)C2)CC1 ZINC000133222945 532229672 /nfs/dbraw/zinc/22/96/72/532229672.db2.gz AILPZIAVLCOHHB-CQSZACIVSA-N 1 0 389.924 2.270 20 0 GEADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000179448730 532231913 /nfs/dbraw/zinc/23/19/13/532231913.db2.gz QIRKJINRVQLTQP-OAHLLOKOSA-N 1 0 380.432 2.488 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[N@H+](C)C1CC1 ZINC000179535903 532234664 /nfs/dbraw/zinc/23/46/64/532234664.db2.gz UQKKMAJVTYQBKL-JTQLQIEISA-N 1 0 389.315 2.065 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000179009814 532220806 /nfs/dbraw/zinc/22/08/06/532220806.db2.gz BZEGICVIKQYKMR-NSHDSACASA-N 1 0 381.249 2.455 20 0 GEADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000132875502 532222680 /nfs/dbraw/zinc/22/26/80/532222680.db2.gz OGYANLPAGJEMBH-AWEZNQCLSA-N 1 0 379.551 2.365 20 0 GEADRO C[NH2+]C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)CC1 ZINC000179139708 532223089 /nfs/dbraw/zinc/22/30/89/532223089.db2.gz VNTCQLRWXOAMBQ-ZDUSSCGKSA-N 1 0 394.313 2.321 20 0 GEADRO C[NH2+]C1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000179136549 532223719 /nfs/dbraw/zinc/22/37/19/532223719.db2.gz CDETWHDQXRTZHN-HNNXBMFYSA-N 1 0 380.286 2.012 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000132915724 532223895 /nfs/dbraw/zinc/22/38/95/532223895.db2.gz OWBGGPOILPKXKD-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000179200967 532224304 /nfs/dbraw/zinc/22/43/04/532224304.db2.gz MYMDAXYOYLEXNM-VIFPVBQESA-N 1 0 382.349 2.370 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000179202134 532224831 /nfs/dbraw/zinc/22/48/31/532224831.db2.gz PVNIHSJXYUPQFT-KBPBESRZSA-N 1 0 396.329 2.415 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000133654903 532240894 /nfs/dbraw/zinc/24/08/94/532240894.db2.gz LSKYOMRGDGDYRQ-GJZGRUSLSA-N 1 0 397.361 2.418 20 0 GEADRO C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)c3ccc(Cl)cc3F)C2)CC1 ZINC000179675594 532241232 /nfs/dbraw/zinc/24/12/32/532241232.db2.gz UFNMAFYOLJWEBI-OAHLLOKOSA-N 1 0 389.924 2.270 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)/C=C/c2c(Cl)nc3sccn23)CC1 ZINC000179750728 532241656 /nfs/dbraw/zinc/24/16/56/532241656.db2.gz WJHKAJKYPVUACB-ONEGZZNKSA-N 1 0 382.917 2.368 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000133995089 532247947 /nfs/dbraw/zinc/24/79/47/532247947.db2.gz SYWAWMASAOFONA-LLVKDONJSA-N 1 0 386.265 2.327 20 0 GEADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCOCCO)c2ccc(Cl)cc2)c1 ZINC000179884267 532248905 /nfs/dbraw/zinc/24/89/05/532248905.db2.gz IAEKPXXXGJAQPG-SFHVURJKSA-N 1 0 383.897 2.431 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(OC)c(I)c2)C1 ZINC000134134108 532250894 /nfs/dbraw/zinc/25/08/94/532250894.db2.gz LEEPYFBEILNACI-LLVKDONJSA-N 1 0 388.249 2.371 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000134189600 532251819 /nfs/dbraw/zinc/25/18/19/532251819.db2.gz HGKJDQJVEMYUKF-NSHDSACASA-N 1 0 386.265 2.327 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(Br)n1 ZINC000179556222 532236334 /nfs/dbraw/zinc/23/63/34/532236334.db2.gz OHQUQQRZERHYPO-GFCCVEGCSA-N 1 0 397.317 2.329 20 0 GEADRO COc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1I ZINC000133510862 532236696 /nfs/dbraw/zinc/23/66/96/532236696.db2.gz IOVQKZWBIUQBCP-ZDUSSCGKSA-N 1 0 388.249 2.370 20 0 GEADRO CCOC(=O)C1(NC(=O)c2cc(F)ccc2Br)CC[NH+](C)CC1 ZINC000134319567 532253781 /nfs/dbraw/zinc/25/37/81/532253781.db2.gz GPVVYGBVRJNRNX-UHFFFAOYSA-N 1 0 387.249 2.346 20 0 GEADRO Cn1cc(Br)cc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000179627891 532239065 /nfs/dbraw/zinc/23/90/65/532239065.db2.gz SGFFDKUCAHJTAO-HNNXBMFYSA-N 1 0 383.334 2.030 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000179621443 532239122 /nfs/dbraw/zinc/23/91/22/532239122.db2.gz XFVIWIVVGVQCPG-CYBMUJFWSA-N 1 0 392.301 2.440 20 0 GEADRO CCCN(Cc1cnc2ccc(Br)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000179639060 532239544 /nfs/dbraw/zinc/23/95/44/532239544.db2.gz BNTSHGMAUXKCBQ-CYBMUJFWSA-N 1 0 386.315 2.496 20 0 GEADRO C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000135314607 532269702 /nfs/dbraw/zinc/26/97/02/532269702.db2.gz KOIGZZOIMCRVLD-YCPHGPKFSA-N 1 0 387.571 2.253 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)CC[C@@H]21 ZINC000180444533 532271775 /nfs/dbraw/zinc/27/17/75/532271775.db2.gz PCZOYJPVCYCVFS-IUCAKERBSA-N 1 0 384.370 2.487 20 0 GEADRO CCOC(=O)C1(NC(=O)c2ccc(Br)cc2F)CC[NH+](C)CC1 ZINC000134331295 532254427 /nfs/dbraw/zinc/25/44/27/532254427.db2.gz PHKHJYDOHHXUJW-UHFFFAOYSA-N 1 0 387.249 2.346 20 0 GEADRO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000134362241 532254644 /nfs/dbraw/zinc/25/46/44/532254644.db2.gz ZJEINAMTGOTPOQ-CYBMUJFWSA-N 1 0 391.896 2.210 20 0 GEADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000180032952 532255129 /nfs/dbraw/zinc/25/51/29/532255129.db2.gz MHTCBZZPQGTKSO-QMWOBKFGSA-N 1 0 384.929 2.319 20 0 GEADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)C(=O)N1CCOCC1 ZINC000180077973 532255846 /nfs/dbraw/zinc/25/58/46/532255846.db2.gz FWPMQBJCOQPTNW-MRXNPFEDSA-N 1 0 388.295 2.405 20 0 GEADRO CS(=O)(=O)c1csc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180207480 532261521 /nfs/dbraw/zinc/26/15/21/532261521.db2.gz TXYALNYSHJQLKN-UHFFFAOYSA-N 1 0 379.507 2.193 20 0 GEADRO O=C(NCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21)c1ccn[nH]1 ZINC000180221899 532261914 /nfs/dbraw/zinc/26/19/14/532261914.db2.gz UACFUCNIEZPGPY-CYBMUJFWSA-N 1 0 379.258 2.406 20 0 GEADRO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(Br)cc1 ZINC000180602714 532275311 /nfs/dbraw/zinc/27/53/11/532275311.db2.gz BLEYQFROZCTRQN-OAHLLOKOSA-N 1 0 384.318 2.431 20 0 GEADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3cncc(Br)c3)C2)CC1 ZINC000180656653 532277878 /nfs/dbraw/zinc/27/78/78/532277878.db2.gz RPFUEKFDIPUJFC-MRXNPFEDSA-N 1 0 396.333 2.478 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135642645 532278025 /nfs/dbraw/zinc/27/80/25/532278025.db2.gz PAPVONCBKRDSQE-HNNXBMFYSA-N 1 0 386.286 2.070 20 0 GEADRO COC[C@@H](Cc1ccccc1)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000180797991 532281202 /nfs/dbraw/zinc/28/12/02/532281202.db2.gz YBARDDBHBZGTEF-MRXNPFEDSA-N 1 0 376.469 2.098 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cnc(C2CCCC2)s1)NC[C@H]1CCCCO1 ZINC000136111347 532282417 /nfs/dbraw/zinc/28/24/17/532282417.db2.gz VKZCVYVPCXOEOO-OAHLLOKOSA-N 1 0 387.571 2.379 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000136439920 532284875 /nfs/dbraw/zinc/28/48/75/532284875.db2.gz XIZOIGFPDSBCDF-UHFFFAOYSA-N 1 0 375.210 2.308 20 0 GEADRO C[C@H](CNC(=O)Nc1cc(Br)c(=O)n(C)c1)[NH+]1CCC(C)CC1 ZINC000136650625 532285421 /nfs/dbraw/zinc/28/54/21/532285421.db2.gz WSTPQXXLSIMDHT-GFCCVEGCSA-N 1 0 385.306 2.390 20 0 GEADRO C[C@]1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCC[NH2+]1 ZINC000180942403 532286543 /nfs/dbraw/zinc/28/65/43/532286543.db2.gz AIOBIUIMWRZUDB-GOSISDBHSA-N 1 0 394.313 2.266 20 0 GEADRO CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1(C)C ZINC000182061830 532308336 /nfs/dbraw/zinc/30/83/36/532308336.db2.gz QUABILIJRFHHFZ-SOUVJXGZSA-N 1 0 375.556 2.312 20 0 GEADRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)C1=O ZINC000181287928 532294816 /nfs/dbraw/zinc/29/48/16/532294816.db2.gz KLWALFZTZKTZGP-GXTWGEPZSA-N 1 0 393.285 2.438 20 0 GEADRO COCC[NH+]1CCC(NC(=O)CCOc2ccccc2Br)CC1 ZINC000141354202 532295230 /nfs/dbraw/zinc/29/52/30/532295230.db2.gz INEXRJRSVASGQE-UHFFFAOYSA-N 1 0 385.302 2.445 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2ccc(I)cc2)CC1 ZINC000141591670 532295582 /nfs/dbraw/zinc/29/55/82/532295582.db2.gz SCBGUBYMUFTTHD-UHFFFAOYSA-N 1 0 388.249 2.132 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000181378548 532297468 /nfs/dbraw/zinc/29/74/68/532297468.db2.gz ZEYFHQGHTQOFKM-SMDDNHRTSA-N 1 0 389.315 2.333 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000181445811 532299286 /nfs/dbraw/zinc/29/92/86/532299286.db2.gz UJGSAANCDCHKBZ-RYUDHWBXSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c(Br)n1 ZINC000181448192 532299296 /nfs/dbraw/zinc/29/92/96/532299296.db2.gz JRUVKBUMYCODLB-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000181457944 532299703 /nfs/dbraw/zinc/29/97/03/532299703.db2.gz SSDOWSDWNPKVDI-ZDUSSCGKSA-N 1 0 384.318 2.242 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000181511151 532300078 /nfs/dbraw/zinc/30/00/78/532300078.db2.gz PPFAWQLQVMXMNY-ZDUSSCGKSA-N 1 0 382.507 2.457 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000181526756 532300898 /nfs/dbraw/zinc/30/08/98/532300898.db2.gz HJRLIHXCZDZSLK-GXSJLCMTSA-N 1 0 383.212 2.177 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150754721 532301101 /nfs/dbraw/zinc/30/11/01/532301101.db2.gz BTGHTMYLZFYXBL-AWEZNQCLSA-N 1 0 385.555 2.089 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000150874729 532303524 /nfs/dbraw/zinc/30/35/24/532303524.db2.gz SIGUAJMDWXQTFF-ZDUSSCGKSA-N 1 0 393.347 2.393 20 0 GEADRO C[C@@H](C[S@@](C)=O)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000181635737 532303660 /nfs/dbraw/zinc/30/36/60/532303660.db2.gz UOENWQTUTFDFHP-ADHMFCJJSA-N 1 0 376.444 2.324 20 0 GEADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cnn(C)c1C(F)(F)F ZINC000150975032 532305100 /nfs/dbraw/zinc/30/51/00/532305100.db2.gz DBFSWDHAQOXVJQ-JTQLQIEISA-N 1 0 376.404 2.279 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000181751054 532306154 /nfs/dbraw/zinc/30/61/54/532306154.db2.gz LQUJWFASQLFRHK-ONGXEEELSA-N 1 0 396.207 2.418 20 0 GEADRO CN(CCN(C)S(=O)(=O)Cc1ccc(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000181066779 532290169 /nfs/dbraw/zinc/29/01/69/532290169.db2.gz PJOMLLGVSJRRIC-UHFFFAOYSA-N 1 0 391.940 2.267 20 0 GEADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)cn1 ZINC000183393458 532324367 /nfs/dbraw/zinc/32/43/67/532324367.db2.gz MGWHYQCBOKOFPM-MRXNPFEDSA-N 1 0 390.281 2.341 20 0 GEADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1cc(Br)ccc1=O ZINC000182065368 532309185 /nfs/dbraw/zinc/30/91/85/532309185.db2.gz ZTMKJTGXLXVUEA-CQSZACIVSA-N 1 0 392.297 2.248 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccccc1Br ZINC000182515747 532314642 /nfs/dbraw/zinc/31/46/42/532314642.db2.gz CEURJKAXPGAORL-UHFFFAOYSA-N 1 0 383.334 2.228 20 0 GEADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000182575479 532315248 /nfs/dbraw/zinc/31/52/48/532315248.db2.gz ZZTUTFDUWGSDAT-WBMJQRKESA-N 1 0 382.302 2.227 20 0 GEADRO O=S(=O)(NC1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1)c1cccs1 ZINC000182665269 532316417 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GEADRO C[C@@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000183213553 532321985 /nfs/dbraw/zinc/32/19/85/532321985.db2.gz PHJFKWBRZAVMGM-TUAOUCFPSA-N 1 0 388.249 2.321 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@@H]12 ZINC000185115895 532336913 /nfs/dbraw/zinc/33/69/13/532336913.db2.gz OTYCYFYDTCSCEA-OWYVNGRQSA-N 1 0 376.254 2.100 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCSC[C@@H]2c2nccs2)C[C@H](C)O1 ZINC000185108840 532336938 /nfs/dbraw/zinc/33/69/38/532336938.db2.gz NQHFBINRECESFO-QLFBSQMISA-N 1 0 384.571 2.442 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000185344517 532337686 /nfs/dbraw/zinc/33/76/86/532337686.db2.gz LUOZWUZJOAGHAC-GFCCVEGCSA-N 1 0 380.341 2.298 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1cccc(Br)c1 ZINC000185634359 532338135 /nfs/dbraw/zinc/33/81/35/532338135.db2.gz CRLXOVQMNPYBDO-AWEZNQCLSA-N 1 0 383.334 2.274 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000185758473 532338660 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C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000186709887 532341829 /nfs/dbraw/zinc/34/18/29/532341829.db2.gz SVWKKQBSQLZFPN-JVXZTZIISA-N 1 0 380.176 2.297 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000186797214 532342073 /nfs/dbraw/zinc/34/20/73/532342073.db2.gz HJZZMSRZRZRCFS-DGCLKSJQSA-N 1 0 399.563 2.016 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000186846020 532342197 /nfs/dbraw/zinc/34/21/97/532342197.db2.gz ZTWOPLSRTQCWGY-IAQYHMDHSA-N 1 0 387.933 2.145 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186880320 532342282 /nfs/dbraw/zinc/34/22/82/532342282.db2.gz RTNCWTCKLMWJQT-CYBMUJFWSA-N 1 0 399.329 2.304 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000186857909 532342403 /nfs/dbraw/zinc/34/24/03/532342403.db2.gz WOZOYNRXQFDKBF-WQVCFCJDSA-N 1 0 394.313 2.168 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1ccc(Br)cc1 ZINC000186888829 532342419 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O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC[NH+]2CCC1CC2 ZINC000188823539 532349691 /nfs/dbraw/zinc/34/96/91/532349691.db2.gz ZHSIQRQFVPPWTC-UHFFFAOYSA-N 1 0 377.901 2.194 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)ncc1Cl ZINC000188876881 532349929 /nfs/dbraw/zinc/34/99/29/532349929.db2.gz OSONBVMZKJGXKY-UHFFFAOYSA-N 1 0 376.682 2.074 20 0 GEADRO C[C@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1CC(C)(C)O ZINC000188897497 532350136 /nfs/dbraw/zinc/35/01/36/532350136.db2.gz WTQZZPVNXJLUKN-ZDUSSCGKSA-N 1 0 399.329 2.497 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000189044984 532350677 /nfs/dbraw/zinc/35/06/77/532350677.db2.gz JOEAVPGHWPHIMP-OAHLLOKOSA-N 1 0 375.282 2.356 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000189114389 532350869 /nfs/dbraw/zinc/35/08/69/532350869.db2.gz MNFFZHARWHBLAD-ZDUSSCGKSA-N 1 0 377.913 2.092 20 0 GEADRO O=C(Cc1c[nH]c2cc(Br)ccc12)NCC[N@@H+]1CCCOCC1 ZINC000189413428 532352117 /nfs/dbraw/zinc/35/21/17/532352117.db2.gz NYKQOESHBXGYOJ-UHFFFAOYSA-N 1 0 380.286 2.311 20 0 GEADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000189397171 532352192 /nfs/dbraw/zinc/35/21/92/532352192.db2.gz ABCGWXLSSLBSOJ-AWEZNQCLSA-N 1 0 395.301 2.260 20 0 GEADRO FC(F)(F)CN1CCC(C[NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC000189463949 532352255 /nfs/dbraw/zinc/35/22/55/532352255.db2.gz JAANCLNDOKLCBH-UHFFFAOYSA-N 1 0 378.464 2.344 20 0 GEADRO NC(=O)C[C@H]([NH2+]CCOc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000189439174 532352314 /nfs/dbraw/zinc/35/23/14/532352314.db2.gz BMIGSYFRYDNAHX-HNNXBMFYSA-N 1 0 389.265 2.227 20 0 GEADRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000189683013 532353231 /nfs/dbraw/zinc/35/32/31/532353231.db2.gz RCHVEHIARZBPMC-HNNXBMFYSA-N 1 0 388.249 2.467 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000189731110 532353412 /nfs/dbraw/zinc/35/34/12/532353412.db2.gz ABNVQALSYRPCJP-YGRLFVJLSA-N 1 0 388.249 2.241 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189802926 532353681 /nfs/dbraw/zinc/35/36/81/532353681.db2.gz NRBSRQWOBJEMEG-UHFFFAOYSA-N 1 0 386.677 2.348 20 0 GEADRO O[C@@H](CN1CCOCC1)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189814087 532353832 /nfs/dbraw/zinc/35/38/32/532353832.db2.gz XHPFLGVEKLGORL-MRXNPFEDSA-N 1 0 383.330 2.322 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000189817044 532353876 /nfs/dbraw/zinc/35/38/76/532353876.db2.gz UVKPRHRYLWWJMO-UHFFFAOYSA-N 1 0 386.290 2.196 20 0 GEADRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1nnnn1C ZINC000189812333 532353882 /nfs/dbraw/zinc/35/38/82/532353882.db2.gz YIMKVWJOCJKUMK-LBPRGKRZSA-N 1 0 380.290 2.372 20 0 GEADRO C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000189886445 532353945 /nfs/dbraw/zinc/35/39/45/532353945.db2.gz BAHIUXAGUVODSV-CYBMUJFWSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@H]1CN(Cc2cc3c(cc2Br)OCO3)CC[N@@H+]1CC(C)(C)O ZINC000189929677 532354047 /nfs/dbraw/zinc/35/40/47/532354047.db2.gz WTIHDIHCKVJEJH-LBPRGKRZSA-N 1 0 385.302 2.455 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189918062 532354063 /nfs/dbraw/zinc/35/40/63/532354063.db2.gz JBDODQGNSKCWGF-CJNGLKHVSA-N 1 0 399.329 2.440 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(Br)c1 ZINC000189950568 532354305 /nfs/dbraw/zinc/35/43/05/532354305.db2.gz BMGSQZCYYYMAIQ-CQSZACIVSA-N 1 0 398.345 2.473 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(Br)n1 ZINC000190035939 532354506 /nfs/dbraw/zinc/35/45/06/532354506.db2.gz ZTPCWWWXBKTMRL-CYBMUJFWSA-N 1 0 395.301 2.178 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190098946 532354788 /nfs/dbraw/zinc/35/47/88/532354788.db2.gz MZEUATNAJYQPID-WCQYABFASA-N 1 0 396.285 2.091 20 0 GEADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000190100479 532354959 /nfs/dbraw/zinc/35/49/59/532354959.db2.gz AAKKKFCNESMDIJ-CMPLNLGQSA-N 1 0 384.249 2.222 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000190286861 532355428 /nfs/dbraw/zinc/35/54/28/532355428.db2.gz KOJZPQFAGFNFJJ-UHFFFAOYSA-N 1 0 381.723 2.474 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000190439604 532356155 /nfs/dbraw/zinc/35/61/55/532356155.db2.gz CUSLQZAEKOVJDM-JTQLQIEISA-N 1 0 384.274 2.439 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2ccc(Br)cc2OC)nn1 ZINC000190443491 532356175 /nfs/dbraw/zinc/35/61/75/532356175.db2.gz WFRMNNOSYDLXLB-NSHDSACASA-N 1 0 397.273 2.116 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc(C)c1Br ZINC000190476659 532356296 /nfs/dbraw/zinc/35/62/96/532356296.db2.gz FDBUGUPMFGZZOE-ZDUSSCGKSA-N 1 0 382.302 2.415 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000190635030 532357070 /nfs/dbraw/zinc/35/70/70/532357070.db2.gz AGBCDRRTJPJIEM-UONOGXRCSA-N 1 0 390.933 2.374 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(F)cc(F)c1Br ZINC000190667137 532357423 /nfs/dbraw/zinc/35/74/23/532357423.db2.gz KPEYLHRXVVABNE-JTQLQIEISA-N 1 0 391.260 2.485 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2ccccc2Br)CC1 ZINC000190731172 532357589 /nfs/dbraw/zinc/35/75/89/532357589.db2.gz KQXQRPBVPIJPPQ-AWEZNQCLSA-N 1 0 381.314 2.444 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)N1CC[NH+](C)CC1 ZINC000190873890 532358481 /nfs/dbraw/zinc/35/84/81/532358481.db2.gz JUYSQUOEYILDTI-QGZVFWFLSA-N 1 0 391.940 2.171 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](C)C1(CO)CCOCC1 ZINC000190989775 532359053 /nfs/dbraw/zinc/35/90/53/532359053.db2.gz NYJQNEULIFISSS-UHFFFAOYSA-N 1 0 375.296 2.425 20 0 GEADRO C[N@H+](CC(=O)Nc1ccc(Br)cc1F)C1(CO)CCOCC1 ZINC000191030416 532359304 /nfs/dbraw/zinc/35/93/04/532359304.db2.gz UCMMZHJDSGNTPL-UHFFFAOYSA-N 1 0 375.238 2.000 20 0 GEADRO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)C1CCS(=O)(=O)CC1 ZINC000187375113 532344176 /nfs/dbraw/zinc/34/41/76/532344176.db2.gz NMCFULRFSJXBAG-IAQYHMDHSA-N 1 0 376.316 2.285 20 0 GEADRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187416106 532344499 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CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000191968701 532377061 /nfs/dbraw/zinc/37/70/61/532377061.db2.gz OFQQYLKIBOKZMK-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO CC1CC[NH+]([C@H](CNC(=O)C(=O)Nc2cnns2)c2cccs2)CC1 ZINC000191969777 532377215 /nfs/dbraw/zinc/37/72/15/532377215.db2.gz LMURBPSPOXWYFT-GFCCVEGCSA-N 1 0 379.511 2.128 20 0 GEADRO CSc1ccc([C@@H](CNC(=O)CC(=O)NCC(F)(F)F)[NH+](C)C)cc1 ZINC000294722606 532377381 /nfs/dbraw/zinc/37/73/81/532377381.db2.gz HLJXDLKAFWGFLC-CYBMUJFWSA-N 1 0 377.432 2.196 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278403841 532378083 /nfs/dbraw/zinc/37/80/83/532378083.db2.gz GCLGNQYCQYWLFI-GHMZBOCLSA-N 1 0 379.452 2.158 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cccc(Br)c2C)CC1 ZINC000191687398 532361824 /nfs/dbraw/zinc/36/18/24/532361824.db2.gz RRPWCXMNTMNCNE-CQSZACIVSA-N 1 0 382.346 2.442 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC[C@@H]1[NH3+] ZINC000647004327 532363015 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2.105 20 0 GEADRO CCCC(=O)NCC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425097531 532365098 /nfs/dbraw/zinc/36/50/98/532365098.db2.gz IDQDIDSBQGNROF-UHFFFAOYSA-N 1 0 399.333 2.302 20 0 GEADRO CCCc1c(C(=O)NC[C@H](C)[NH3+])nnn1Cc1cccc(Br)c1 ZINC000647022361 532365305 /nfs/dbraw/zinc/36/53/05/532365305.db2.gz HMNHNYYRONAKHC-NSHDSACASA-N 1 0 380.290 2.118 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cn1cccn1 ZINC000425099148 532365638 /nfs/dbraw/zinc/36/56/38/532365638.db2.gz OFRFIYFOZGGDEG-UHFFFAOYSA-N 1 0 380.290 2.282 20 0 GEADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Cc1cc3c(cc1Br)OCCO3)C2 ZINC000621699296 532365980 /nfs/dbraw/zinc/36/59/80/532365980.db2.gz RBWFCIFNYLHYBC-SJKOYZFVSA-N 1 0 381.270 2.103 20 0 GEADRO O=C(CCc1nc2cc(Br)ccc2s1)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082614 532366724 /nfs/dbraw/zinc/36/67/24/532366724.db2.gz RWASLOUYKUXUOC-LBPRGKRZSA-N 1 0 398.326 2.486 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C2 ZINC000621697486 532366791 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GEADRO O=C(c1cc(Br)c[nH]c1=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000621792167 532368779 /nfs/dbraw/zinc/36/87/79/532368779.db2.gz WILIILSLKSTMRD-UHFFFAOYSA-N 1 0 398.301 2.124 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cc(Br)c[nH]c2=O)Cc2ccccc2C1 ZINC000621881209 532369309 /nfs/dbraw/zinc/36/93/09/532369309.db2.gz FTHYZXMOZJVKIE-UHFFFAOYSA-N 1 0 390.281 2.379 20 0 GEADRO NS(=O)(=O)CCCCCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000557585216 532369305 /nfs/dbraw/zinc/36/93/05/532369305.db2.gz PSFZBIVVOLNKFR-UHFFFAOYSA-N 1 0 385.555 2.023 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc(-c2cc(S(C)(=O)=O)cc(Br)c2C)n1 ZINC000647143090 532369545 /nfs/dbraw/zinc/36/95/45/532369545.db2.gz NFDSFVUNKWVVEO-QMMMGPOBSA-N 1 0 388.287 2.361 20 0 GEADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc(Br)c[nH]c1=O ZINC000621864961 532369556 /nfs/dbraw/zinc/36/95/56/532369556.db2.gz UVWOFQQKMGFEPF-UHFFFAOYSA-N 1 0 398.301 2.315 20 0 GEADRO Cc1nccn1C[C@H](C)C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000372060850 532370614 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Cn1nnnc1CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000678499553 532395521 /nfs/dbraw/zinc/39/55/21/532395521.db2.gz ZATNKWISRXZSIO-UHFFFAOYSA-N 1 0 375.068 2.067 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000647711910 532380142 /nfs/dbraw/zinc/38/01/42/532380142.db2.gz KVQAKHIXHLLHEQ-GXTWGEPZSA-N 1 0 387.293 2.340 20 0 GEADRO O=C(Cc1c[nH]c2cccc(Br)c12)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647709287 532380517 /nfs/dbraw/zinc/38/05/17/532380517.db2.gz UQCRVSMWXMAVDK-ZIAGYGMSSA-N 1 0 392.297 2.140 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000463721027 532380618 /nfs/dbraw/zinc/38/06/18/532380618.db2.gz FLCDINJDGLGPOW-UHFFFAOYSA-N 1 0 378.420 2.339 20 0 GEADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H](C)C1 ZINC000558027781 532380878 /nfs/dbraw/zinc/38/08/78/532380878.db2.gz UGTHBZYCBQUKIL-MJVIPROJSA-N 1 0 387.265 2.422 20 0 GEADRO Cn1nc(Br)cc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000192056546 532381068 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C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000677849109 532384392 /nfs/dbraw/zinc/38/43/92/532384392.db2.gz VHSZGOJJEBBROW-SUMWQHHRSA-N 1 0 389.924 2.126 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000558102095 532385310 /nfs/dbraw/zinc/38/53/10/532385310.db2.gz ZINHZTVFULUVHS-WBMJQRKESA-N 1 0 386.309 2.449 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000558102092 532385850 /nfs/dbraw/zinc/38/58/50/532385850.db2.gz ZINHZTVFULUVHS-BLLLJJGKSA-N 1 0 386.309 2.449 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1sccc1Br ZINC000558122174 532385935 /nfs/dbraw/zinc/38/59/35/532385935.db2.gz OEGPNNYDXAEFCO-NSHDSACASA-N 1 0 396.376 2.261 20 0 GEADRO CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000648159556 532386242 /nfs/dbraw/zinc/38/62/42/532386242.db2.gz XICVQQJVEOBCBQ-XHSDSOJGSA-N 1 0 394.313 2.070 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123501 532386365 /nfs/dbraw/zinc/38/63/65/532386365.db2.gz YBDSYARRZQIGSV-IUODEOHRSA-N 1 0 395.301 2.171 20 0 GEADRO CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000648159555 532386519 /nfs/dbraw/zinc/38/65/19/532386519.db2.gz XICVQQJVEOBCBQ-ARFHVFGLSA-N 1 0 394.313 2.070 20 0 GEADRO CC[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000648125708 532386551 /nfs/dbraw/zinc/38/65/51/532386551.db2.gz TZDHEYOHVOTQSN-DAXOMENPSA-N 1 0 381.929 2.441 20 0 GEADRO CC1CCN(C(=S)SCC(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)CC1 ZINC000372346404 532386739 /nfs/dbraw/zinc/38/67/39/532386739.db2.gz NFMKXCSAWZXTNG-JKSUJKDBSA-N 1 0 385.599 2.106 20 0 GEADRO CC1CCN(C(=S)SCC(=O)NC[C@H]2CN3CCCC[C@H]3CO2)CC1 ZINC000372346402 532387586 /nfs/dbraw/zinc/38/75/86/532387586.db2.gz NFMKXCSAWZXTNG-HOTGVXAUSA-N 1 0 385.599 2.106 20 0 GEADRO CN(Cc1cc(Br)cn1C)C(=O)NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000372346678 532387642 /nfs/dbraw/zinc/38/76/42/532387642.db2.gz OQGNDNQIJACJAO-HOCLYGCPSA-N 1 0 399.333 2.182 20 0 GEADRO Cc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ncc1Br ZINC000623351570 532387975 /nfs/dbraw/zinc/38/79/75/532387975.db2.gz WCPCPQPAZXAUCE-UHFFFAOYSA-N 1 0 384.299 2.132 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cnc3c(Br)cccn23)[C@@H](C)C1 ZINC000425672873 532388370 /nfs/dbraw/zinc/38/83/70/532388370.db2.gz LVOFIZBQFLDRCL-RYUDHWBXSA-N 1 0 396.289 2.016 20 0 GEADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCO1 ZINC000279131379 532389217 /nfs/dbraw/zinc/38/92/17/532389217.db2.gz WFPAHZRNLLMUAO-CVEARBPZSA-N 1 0 385.302 2.191 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)CCC[S@@](=O)c3ccc(Br)cc3)C[C@H]2C1 ZINC000279181425 532390336 /nfs/dbraw/zinc/39/03/36/532390336.db2.gz ILGYUYBWOLWUOM-XMQCVEROSA-N 1 0 399.354 2.357 20 0 GEADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000558425053 532390424 /nfs/dbraw/zinc/39/04/24/532390424.db2.gz NTXODSKNOUNBAH-NSHDSACASA-N 1 0 382.452 2.311 20 0 GEADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000294915830 532390602 /nfs/dbraw/zinc/39/06/02/532390602.db2.gz YJJAPYOHTOKWFC-HOTGVXAUSA-N 1 0 390.343 2.300 20 0 GEADRO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279191927 532391079 /nfs/dbraw/zinc/39/10/79/532391079.db2.gz HDOVKBVNPHTVKC-YOEHRIQHSA-N 1 0 381.314 2.343 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(C)cc1Br ZINC000516768853 532391734 /nfs/dbraw/zinc/39/17/34/532391734.db2.gz ARXARVBFENKOIX-GFCCVEGCSA-N 1 0 383.258 2.341 20 0 GEADRO CC[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425725944 532391864 /nfs/dbraw/zinc/39/18/64/532391864.db2.gz NQYGZDKJNQEGES-GFCCVEGCSA-N 1 0 399.333 2.300 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(Br)ccc1C ZINC000558465362 532392078 /nfs/dbraw/zinc/39/20/78/532392078.db2.gz CGGNQCXANBKFGF-UHFFFAOYSA-N 1 0 393.347 2.394 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000648281058 532392700 /nfs/dbraw/zinc/39/27/00/532392700.db2.gz MQYQANHTWJKPKE-IAGOWNOFSA-N 1 0 381.314 2.358 20 0 GEADRO Ic1ccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000294967342 532392904 /nfs/dbraw/zinc/39/29/04/532392904.db2.gz FFNZTRGLIOVILM-CQSZACIVSA-N 1 0 389.233 2.303 20 0 GEADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000623954071 532393188 /nfs/dbraw/zinc/39/31/88/532393188.db2.gz PCRPVFKQPOVDTC-OAHLLOKOSA-N 1 0 381.318 2.367 20 0 GEADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000624007259 532394040 /nfs/dbraw/zinc/39/40/40/532394040.db2.gz QUJWBZDNZPANCD-MWLCHTKSSA-N 1 0 385.839 2.308 20 0 GEADRO O=C(c1cc2sccc2s1)N1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000372497786 532394470 /nfs/dbraw/zinc/39/44/70/532394470.db2.gz UYSXHISAHNVBSC-KZULUSFZSA-N 1 0 375.519 2.247 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425776259 532395042 /nfs/dbraw/zinc/39/50/42/532395042.db2.gz YVFISIMZUVDKQX-UHFFFAOYSA-N 1 0 375.803 2.434 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CC1CCCC1)c1ccc(Cl)cc1F ZINC000516922925 532397805 /nfs/dbraw/zinc/39/78/05/532397805.db2.gz VRLZWBPHSUPBMK-AWEZNQCLSA-N 1 0 378.897 2.288 20 0 GEADRO C[C@H](C(=O)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1)c1cccc(Cl)c1 ZINC000372639305 532397841 /nfs/dbraw/zinc/39/78/41/532397841.db2.gz JFVLQTZUUUEAON-SUMWQHHRSA-N 1 0 384.929 2.211 20 0 GEADRO COC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000678581430 532398082 /nfs/dbraw/zinc/39/80/82/532398082.db2.gz WZRAGSAKDXKJML-OAHLLOKOSA-N 1 0 380.432 2.408 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCOC1 ZINC000464593165 532400395 /nfs/dbraw/zinc/40/03/95/532400395.db2.gz MAXKSWBPODSCMP-WBMJQRKESA-N 1 0 378.252 2.045 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C1 ZINC000464564743 532399422 /nfs/dbraw/zinc/39/94/22/532399422.db2.gz XGICFCNYHRXYDW-CQSZACIVSA-N 1 0 384.318 2.191 20 0 GEADRO C[C@@H](CC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)n1cc(Br)cn1 ZINC000648827352 532402978 /nfs/dbraw/zinc/40/29/78/532402978.db2.gz AJRNKNPGUIONIS-HOCLYGCPSA-N 1 0 399.333 2.310 20 0 GEADRO C[C@H](CC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)n1cc(Br)cn1 ZINC000648827350 532403084 /nfs/dbraw/zinc/40/30/84/532403084.db2.gz AJRNKNPGUIONIS-GDBMZVCRSA-N 1 0 399.333 2.310 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@@H](C)n1cc(Br)cn1 ZINC000648816613 532403099 /nfs/dbraw/zinc/40/30/99/532403099.db2.gz ZQCXHDHOGSDECA-OCCSQVGLSA-N 1 0 375.311 2.070 20 0 GEADRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000678755414 532401431 /nfs/dbraw/zinc/40/14/31/532401431.db2.gz DCVDXMFUAKXFOH-QWHCGFSZSA-N 1 0 385.302 2.328 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000464793531 532404582 /nfs/dbraw/zinc/40/45/82/532404582.db2.gz OECOXCWEMBFPMN-CQSZACIVSA-N 1 0 389.359 2.496 20 0 GEADRO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000464770200 532404812 /nfs/dbraw/zinc/40/48/12/532404812.db2.gz FQLNEDJFKCEWGX-LSDHHAIUSA-N 1 0 385.555 2.269 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000280037743 532405536 /nfs/dbraw/zinc/40/55/36/532405536.db2.gz ZIQZUODTCJNLQO-VIFPVBQESA-N 1 0 390.228 2.076 20 0 GEADRO Cc1ccc(I)cc1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000591299846 532405596 /nfs/dbraw/zinc/40/55/96/532405596.db2.gz ILTBUMUTVHDJJZ-GWCFXTLKSA-N 1 0 389.237 2.180 20 0 GEADRO Cc1cc(I)cc(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000591306780 532405725 /nfs/dbraw/zinc/40/57/25/532405725.db2.gz CHCXLHOATLDANM-ZWNOBZJWSA-N 1 0 389.237 2.180 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000464880686 532405835 /nfs/dbraw/zinc/40/58/35/532405835.db2.gz LWJGPPQUCFCOFE-KBPBESRZSA-N 1 0 396.329 2.368 20 0 GEADRO C[C@H](CC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)n1cc(Br)cn1 ZINC000648880703 532405894 /nfs/dbraw/zinc/40/58/94/532405894.db2.gz XHHVYPKILNFOCA-ZIAGYGMSSA-N 1 0 387.322 2.214 20 0 GEADRO COc1cc(I)ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000591308199 532406200 /nfs/dbraw/zinc/40/62/00/532406200.db2.gz VBEMDUWKSQAWNK-SKDRFNHKSA-N 1 0 387.221 2.125 20 0 GEADRO O=C(NCCc1ccc(I)s1)N[C@@H]1CCC[NH2+]CC1 ZINC000591350120 532409185 /nfs/dbraw/zinc/40/91/85/532409185.db2.gz SPUSNKSMDVEVRH-SNVBAGLBSA-N 1 0 393.294 2.337 20 0 GEADRO COC[C@]1(C(=O)OC)CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000295142846 532409223 /nfs/dbraw/zinc/40/92/23/532409223.db2.gz LEKWTVWWBGPTJC-KRWDZBQOSA-N 1 0 399.285 2.289 20 0 GEADRO [NH3+]C/C=C/CNC(=O)NCc1ccc(I)cc1Cl ZINC000591357434 532409418 /nfs/dbraw/zinc/40/94/18/532409418.db2.gz GMINNZPFUXXEPC-OWOJBTEDSA-N 1 0 379.629 2.259 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCN1C ZINC000517231140 532409498 /nfs/dbraw/zinc/40/94/98/532409498.db2.gz SNPUJAIQGFIXNS-OCCSQVGLSA-N 1 0 375.332 2.295 20 0 GEADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C2 ZINC000372786942 532410292 /nfs/dbraw/zinc/41/02/92/532410292.db2.gz RSDYPPNSSSNNQD-QAPCUYQASA-N 1 0 394.313 2.299 20 0 GEADRO C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@H]1C[NH3+] ZINC000517230079 532410496 /nfs/dbraw/zinc/41/04/96/532410496.db2.gz WTVAXGOKQKTYAX-WDEREUQCSA-N 1 0 378.270 2.348 20 0 GEADRO CCS[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000192761423 532408370 /nfs/dbraw/zinc/40/83/70/532408370.db2.gz QEVXHKAKZBYIAJ-HOTGVXAUSA-N 1 0 388.603 2.404 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000517176909 532408597 /nfs/dbraw/zinc/40/85/97/532408597.db2.gz TZSSRVFEBLPIAD-UHFFFAOYSA-N 1 0 397.310 2.463 20 0 GEADRO C[C@H](CCNS(=O)(=O)c1cccnc1OCC(F)F)[NH+]1CCCCC1 ZINC000625116347 532409017 /nfs/dbraw/zinc/40/90/17/532409017.db2.gz IJRLUIGKGSSGID-CYBMUJFWSA-N 1 0 377.457 2.268 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1OC ZINC000192806314 532410545 /nfs/dbraw/zinc/41/05/45/532410545.db2.gz NCMIJMRPFXKRAP-UHFFFAOYSA-N 1 0 376.906 2.367 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448899 532412121 /nfs/dbraw/zinc/41/21/21/532412121.db2.gz PWPTVDHSPUVEEI-JMSVASOKSA-N 1 0 399.276 2.302 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)ncc1Br ZINC000192822937 532412629 /nfs/dbraw/zinc/41/26/29/532412629.db2.gz KLYFFVPMSDIKAJ-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000560050571 532410675 /nfs/dbraw/zinc/41/06/75/532410675.db2.gz RMZSKBMCFDSZIL-CYBMUJFWSA-N 1 0 398.345 2.299 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000192814943 532410796 /nfs/dbraw/zinc/41/07/96/532410796.db2.gz LZPXMFNUSJFDSY-UONOGXRCSA-N 1 0 388.339 2.339 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000192808493 532411008 /nfs/dbraw/zinc/41/10/08/532411008.db2.gz XGLOYYVAWBEZGX-OZVIIMIRSA-N 1 0 375.282 2.009 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCCOc1ccc(Br)cc1 ZINC000591578573 532414368 /nfs/dbraw/zinc/41/43/68/532414368.db2.gz BDANQAKADGNMFR-UHFFFAOYSA-N 1 0 388.306 2.048 20 0 GEADRO C[C@@H]1COCCN1CCNC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000591583701 532415039 /nfs/dbraw/zinc/41/50/39/532415039.db2.gz IGNZZFZQVOVELE-CYBMUJFWSA-N 1 0 382.302 2.458 20 0 GEADRO CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280924059 532415335 /nfs/dbraw/zinc/41/53/35/532415335.db2.gz RISMQYXULYKOOF-SMDDNHRTSA-N 1 0 396.962 2.112 20 0 GEADRO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000427207429 532415519 /nfs/dbraw/zinc/41/55/19/532415519.db2.gz VYLWCLNFLRANGD-STQMWFEESA-N 1 0 383.480 2.325 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000591641716 532415984 /nfs/dbraw/zinc/41/59/84/532415984.db2.gz OBTNUAOMQXTCBY-LBPRGKRZSA-N 1 0 398.349 2.053 20 0 GEADRO Cn1ncc(Br)c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000295186013 532416554 /nfs/dbraw/zinc/41/65/54/532416554.db2.gz QLVBVYJGLPXOKY-GASCZTMLSA-N 1 0 389.297 2.387 20 0 GEADRO O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000427282318 532418464 /nfs/dbraw/zinc/41/84/64/532418464.db2.gz SRIQWQJTTKEBCQ-ZYHUDNBSSA-N 1 0 376.810 2.448 20 0 GEADRO CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280956377 532418912 /nfs/dbraw/zinc/41/89/12/532418912.db2.gz UKQXGUBWAQMQEW-AWEZNQCLSA-N 1 0 387.933 2.335 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2)c1ccc(Br)cc1 ZINC000372920363 532418557 /nfs/dbraw/zinc/41/85/57/532418557.db2.gz AJMHDTHSZRJMIZ-WCXIOVBPSA-N 1 0 394.313 2.497 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)N1CCNC(=O)[C@H]1c1cccs1)c1ccsc1 ZINC000465534139 532418569 /nfs/dbraw/zinc/41/85/69/532418569.db2.gz OGIOLUWMIUKPIL-UKRRQHHQSA-N 1 0 378.523 2.295 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000560493824 532417278 /nfs/dbraw/zinc/41/72/78/532417278.db2.gz ZIKBVUVBAATWQP-CYBMUJFWSA-N 1 0 383.286 2.489 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000625363323 532421108 /nfs/dbraw/zinc/42/11/08/532421108.db2.gz VLKLKNBNDMZODF-WGHIXYSZSA-N 1 0 379.298 2.172 20 0 GEADRO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000427294052 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C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)C1(S(C)(=O)=O)CC1 ZINC000517733997 532425794 /nfs/dbraw/zinc/42/57/94/532425794.db2.gz OHRVCUOCFYOOSK-VXGBXAGGSA-N 1 0 381.416 2.000 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cnn2ccccc12)c1ccccc1Cl ZINC000466385353 532425956 /nfs/dbraw/zinc/42/59/56/532425956.db2.gz DLXCEPNEKANSHQ-UHFFFAOYSA-N 1 0 378.885 2.446 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000561003340 532426928 /nfs/dbraw/zinc/42/69/28/532426928.db2.gz CXPVGEKXCKFDDN-UHFFFAOYSA-N 1 0 378.217 2.170 20 0 GEADRO COCC(COC)[NH+]1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000560828415 532426253 /nfs/dbraw/zinc/42/62/53/532426253.db2.gz HKJVAKMLWKURJP-UHFFFAOYSA-N 1 0 395.301 2.176 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000649849190 532428462 /nfs/dbraw/zinc/42/84/62/532428462.db2.gz ODDGSUKTZPSLGP-AWEZNQCLSA-N 1 0 381.523 2.153 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000427630255 532428541 /nfs/dbraw/zinc/42/85/41/532428541.db2.gz RJHDNEATIIBIKE-RRFJBIMHSA-N 1 0 376.444 2.113 20 0 GEADRO O=C1NC[C@@]2(CCCN([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)O1 ZINC000373028138 532427246 /nfs/dbraw/zinc/42/72/46/532427246.db2.gz KXDLKNADNUNTNQ-WMLDXEAASA-N 1 0 394.269 2.129 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc(Br)ccc1F ZINC000193682695 532429315 /nfs/dbraw/zinc/42/93/15/532429315.db2.gz AEJZENLGMJEPTM-GFCCVEGCSA-N 1 0 386.265 2.048 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000193684968 532430989 /nfs/dbraw/zinc/43/09/89/532430989.db2.gz RQAGGNHYFNPVDC-ZDUSSCGKSA-N 1 0 383.286 2.363 20 0 GEADRO Ic1cccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000517976391 532431498 /nfs/dbraw/zinc/43/14/98/532431498.db2.gz KTASLYXJONQRKW-OAHLLOKOSA-N 1 0 386.277 2.445 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000518150984 532435378 /nfs/dbraw/zinc/43/53/78/532435378.db2.gz MGNZZLVEUWMMJN-INIZCTEOSA-N 1 0 395.297 2.452 20 0 GEADRO O=C(CNC(=O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21)Nc1ccccc1Br ZINC000681712545 532435866 /nfs/dbraw/zinc/43/58/66/532435866.db2.gz ZUSPBAOFQKQBPB-WFASDCNBSA-N 1 0 380.286 2.378 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(Br)cnn2C)[C@H](C)C1 ZINC000295330916 532435933 /nfs/dbraw/zinc/43/59/33/532435933.db2.gz UBKQLBXPWPDKDN-OCCSQVGLSA-N 1 0 387.322 2.049 20 0 GEADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000466874583 532436695 /nfs/dbraw/zinc/43/66/95/532436695.db2.gz YFXJVPJYYVEWOG-UHFFFAOYSA-N 1 0 376.469 2.476 20 0 GEADRO COc1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1Br ZINC000373172272 532436852 /nfs/dbraw/zinc/43/68/52/532436852.db2.gz APWIHSIMKVUEIL-WFASDCNBSA-N 1 0 382.302 2.025 20 0 GEADRO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1SC)[C@H]1CCS(=O)(=O)C1 ZINC000281791942 532432735 /nfs/dbraw/zinc/43/27/35/532432735.db2.gz UOZIXMCEMHLKLJ-KKUMJFAQSA-N 1 0 384.567 2.483 20 0 GEADRO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000281784704 532433064 /nfs/dbraw/zinc/43/30/64/532433064.db2.gz HNFJWMNWUKVXAO-YCPHGPKFSA-N 1 0 384.567 2.483 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000193876070 532433998 /nfs/dbraw/zinc/43/39/98/532433998.db2.gz MNTZVSMELAZLFO-SNVBAGLBSA-N 1 0 388.331 2.182 20 0 GEADRO C[C@@H]1C[C@H](CO)CC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000626120477 532434470 /nfs/dbraw/zinc/43/44/70/532434470.db2.gz DGIXBJVTMZOWNY-LALPHHSUSA-N 1 0 376.266 2.421 20 0 GEADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000592209552 532441043 /nfs/dbraw/zinc/44/10/43/532441043.db2.gz WYXQJRFPJRISMN-HIFRSBDPSA-N 1 0 384.270 2.268 20 0 GEADRO CN(CC(=O)NC(=O)NC(C)(C)C)C[C@H](O)c1ccccc1Br ZINC000295375550 532441273 /nfs/dbraw/zinc/44/12/73/532441273.db2.gz QCZGIAKXCMYANX-ZDUSSCGKSA-N 1 0 386.290 2.039 20 0 GEADRO Cn1cc(C[NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c(=O)n(C)c1=O ZINC000281839520 532437493 /nfs/dbraw/zinc/43/74/93/532437493.db2.gz XQVONTJMDHBQTB-AULYBMBSSA-N 1 0 396.260 2.021 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000427958412 532438597 /nfs/dbraw/zinc/43/85/97/532438597.db2.gz IXDKVAAQHRWQJS-CZUORRHYSA-N 1 0 380.901 2.207 20 0 GEADRO COCCOCCOCCC[NH2+]Cc1ccc(I)cc1 ZINC000295370332 532438997 /nfs/dbraw/zinc/43/89/97/532438997.db2.gz JRUALIDTTSDDLG-UHFFFAOYSA-N 1 0 393.265 2.451 20 0 GEADRO Cc1cc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc(C)c1Br ZINC000650158876 532439254 /nfs/dbraw/zinc/43/92/54/532439254.db2.gz DCOZPGUGZABPQZ-UHFFFAOYSA-N 1 0 397.317 2.304 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000518365229 532439552 /nfs/dbraw/zinc/43/95/52/532439552.db2.gz DOTIZBBUDRTAFN-GVDBMIGSSA-N 1 0 375.918 2.163 20 0 GEADRO Cc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000682095594 532440402 /nfs/dbraw/zinc/44/04/02/532440402.db2.gz LHFLHMBLZIBAIT-IAGOWNOFSA-N 1 0 381.314 2.358 20 0 GEADRO C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H](O)c1ccccc1Br ZINC000295387725 532442189 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CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000626847676 532443999 /nfs/dbraw/zinc/44/39/99/532443999.db2.gz VAZVVGSYBNGVKV-LBPRGKRZSA-N 1 0 388.693 2.497 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1Br ZINC000682256910 532444298 /nfs/dbraw/zinc/44/42/98/532444298.db2.gz SAHSTKNSLJODJU-CHWSQXEVSA-N 1 0 377.304 2.219 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1Br ZINC000626839581 532444499 /nfs/dbraw/zinc/44/44/99/532444499.db2.gz LOBFBDLRFZNABK-LLVKDONJSA-N 1 0 386.315 2.368 20 0 GEADRO CN(CCCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)CC(F)(F)F ZINC000626939285 532444738 /nfs/dbraw/zinc/44/47/38/532444738.db2.gz XZWBSNVTQJZKLM-QWRGUYRKSA-N 1 0 378.361 2.039 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000428140205 532444963 /nfs/dbraw/zinc/44/49/63/532444963.db2.gz IEVFNKIHXBSUPF-TYNCELHUSA-N 1 0 382.302 2.296 20 0 GEADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(S(N)(=O)=O)s1)[NH+](C)C ZINC000682396636 532445414 /nfs/dbraw/zinc/44/54/14/532445414.db2.gz SKCJJSBIVJLFJM-LRDDRELGSA-N 1 0 381.523 2.125 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)C[NH2+]1 ZINC000626965241 532446384 /nfs/dbraw/zinc/44/63/84/532446384.db2.gz XHAGBRQCKUQZAS-DOMZBBRYSA-N 1 0 397.317 2.009 20 0 GEADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000428179461 532446396 /nfs/dbraw/zinc/44/63/96/532446396.db2.gz FNVKWCTVBHKWTR-UHFFFAOYSA-N 1 0 384.307 2.305 20 0 GEADRO Cn1nnnc1CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000682435711 532446790 /nfs/dbraw/zinc/44/67/90/532446790.db2.gz DLZYFQPJMCUMBR-MRXNPFEDSA-N 1 0 380.290 2.273 20 0 GEADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000518802290 532447200 /nfs/dbraw/zinc/44/72/00/532447200.db2.gz WMOANVBAESOYIE-ZDUSSCGKSA-N 1 0 388.295 2.041 20 0 GEADRO O=C(NCC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)OCC(F)(F)F ZINC000282207930 532447234 /nfs/dbraw/zinc/44/72/34/532447234.db2.gz ADNDDFFHKVLQBU-LBPRGKRZSA-N 1 0 379.766 2.101 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C[NH2+]1 ZINC000626968021 532447381 /nfs/dbraw/zinc/44/73/81/532447381.db2.gz ANRSWPQWYFXTRG-BPLDGKMQSA-N 1 0 381.318 2.468 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000650599744 532449142 /nfs/dbraw/zinc/44/91/42/532449142.db2.gz SMRFESTZSLTGMU-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CCO1 ZINC000592311290 532447503 /nfs/dbraw/zinc/44/75/03/532447503.db2.gz GETFXAXRDLQLIH-PRHODGIISA-N 1 0 394.640 2.133 20 0 GEADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269930 532448022 /nfs/dbraw/zinc/44/80/22/532448022.db2.gz ZXFBFXSWCPHNHO-LUKYLMHMSA-N 1 0 379.298 2.220 20 0 GEADRO O=C(N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)C1(Cc2ccccc2Br)CC1 ZINC000627266741 532448101 /nfs/dbraw/zinc/44/81/01/532448101.db2.gz FHZCQTOORWYYRH-JKSUJKDBSA-N 1 0 393.325 2.439 20 0 GEADRO CSC[C@H](CCO)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373430803 532449165 /nfs/dbraw/zinc/44/91/65/532449165.db2.gz IPOKPHORLXKRDA-HSBZDZAISA-N 1 0 383.480 2.205 20 0 GEADRO O=C(c1nc2ccccc2cc1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627267084 532448737 /nfs/dbraw/zinc/44/87/37/532448737.db2.gz JOKLCXIQFWMDGT-UONOGXRCSA-N 1 0 390.281 2.278 20 0 GEADRO CCN(CC[NH+]1CCCCCC1)C(=O)Cn1cc(Br)ccc1=O ZINC000561780956 532452450 /nfs/dbraw/zinc/45/24/50/532452450.db2.gz FWJAGYDAJSVBTO-UHFFFAOYSA-N 1 0 384.318 2.335 20 0 GEADRO COc1ccc(CCC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(Br)c1 ZINC000627272474 532449418 /nfs/dbraw/zinc/44/94/18/532449418.db2.gz PLLRKLOOHKJWDM-GJZGRUSLSA-N 1 0 397.313 2.058 20 0 GEADRO O=C(N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000627268048 532449554 /nfs/dbraw/zinc/44/95/54/532449554.db2.gz WQMSFHDDBTVKRL-JKSUJKDBSA-N 1 0 397.288 2.287 20 0 GEADRO O=C(CCOC1C[NH2+]C1)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000518962681 532450320 /nfs/dbraw/zinc/45/03/20/532450320.db2.gz BMGJUJRVZFTENC-HNNXBMFYSA-N 1 0 386.279 2.301 20 0 GEADRO C[C@H](NC(=O)N1CCc2cc(Br)ccc2C1)[C@@H]1CN(C)CCO1 ZINC000682876785 532450924 /nfs/dbraw/zinc/45/09/24/532450924.db2.gz IMUHYTKFLDXUAU-LRDDRELGSA-N 1 0 382.302 2.236 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000627292374 532451264 /nfs/dbraw/zinc/45/12/64/532451264.db2.gz SYHJRSMKYKFLFV-JTQLQIEISA-N 1 0 394.274 2.004 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000518965494 532451426 /nfs/dbraw/zinc/45/14/26/532451426.db2.gz PBQBUZFNDUZRBV-LBPRGKRZSA-N 1 0 382.309 2.148 20 0 GEADRO CC(C)(C[NH2+]Cc1ncc(I)s1)[C@@]1(O)CCOC1 ZINC000592374975 532451757 /nfs/dbraw/zinc/45/17/57/532451757.db2.gz NSARUAJUKSXFEH-GFCCVEGCSA-N 1 0 382.267 2.015 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000519154350 532457053 /nfs/dbraw/zinc/45/70/53/532457053.db2.gz HGUONMUFXXLEEC-TXEJJXNPSA-N 1 0 389.315 2.078 20 0 GEADRO O=C(CN1C(=S)N=NC1c1cccs1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373546097 532457116 /nfs/dbraw/zinc/45/71/16/532457116.db2.gz JSACKPNTGRLKMJ-STQMWFEESA-N 1 0 377.539 2.286 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000627825739 532457180 /nfs/dbraw/zinc/45/71/80/532457180.db2.gz FIDCZELNCZLHJE-JTQLQIEISA-N 1 0 378.420 2.035 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000194500022 532452757 /nfs/dbraw/zinc/45/27/57/532452757.db2.gz VIPWHBVGYGGNEZ-UHFFFAOYSA-N 1 0 397.292 2.437 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000373466903 532453023 /nfs/dbraw/zinc/45/30/23/532453023.db2.gz FBKGHDLLYADCHU-UHFFFAOYSA-N 1 0 379.498 2.489 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000592382326 532453170 /nfs/dbraw/zinc/45/31/70/532453170.db2.gz OWUCIMFRICEYKM-MFKMUULPSA-N 1 0 394.278 2.039 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC000428427258 532453913 /nfs/dbraw/zinc/45/39/13/532453913.db2.gz RCCKLHMVJUUQJZ-NWDGAFQWSA-N 1 0 380.539 2.456 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592568760 532454075 /nfs/dbraw/zinc/45/40/75/532454075.db2.gz PCHAUAKROIMYQF-FXAINCCUSA-N 1 0 376.625 2.311 20 0 GEADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cc[nH]c(=O)c1Br ZINC000428537469 532455094 /nfs/dbraw/zinc/45/50/94/532455094.db2.gz NQUSNGNPFPCLSW-ZDUSSCGKSA-N 1 0 392.253 2.369 20 0 GEADRO NC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000428538891 532455125 /nfs/dbraw/zinc/45/51/25/532455125.db2.gz RITQZXXEMVLGGQ-OAHLLOKOSA-N 1 0 377.282 2.489 20 0 GEADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000194763316 532455816 /nfs/dbraw/zinc/45/58/16/532455816.db2.gz ZFVNBDSGDSXYOG-CYBMUJFWSA-N 1 0 387.571 2.054 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000194769164 532456487 /nfs/dbraw/zinc/45/64/87/532456487.db2.gz NUBRBDDJOKXMAF-LLVKDONJSA-N 1 0 394.324 2.002 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000194770762 532456553 /nfs/dbraw/zinc/45/65/53/532456553.db2.gz YTOACZLPWOVUSE-CYBMUJFWSA-N 1 0 382.507 2.484 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)C[C@@H](C)O1 ZINC000519386316 532462316 /nfs/dbraw/zinc/46/23/16/532462316.db2.gz NAGQFWRIYUEWRD-RTWAVKEYSA-N 1 0 375.296 2.487 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)C[C@H](C)O1 ZINC000519386317 532462728 /nfs/dbraw/zinc/46/27/28/532462728.db2.gz NAGQFWRIYUEWRD-ZAZJYDDPSA-N 1 0 375.296 2.487 20 0 GEADRO Cc1c(Br)ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1F ZINC000194787847 532457777 /nfs/dbraw/zinc/45/77/77/532457777.db2.gz JDSAQSODZLGKRL-NSHDSACASA-N 1 0 386.265 2.245 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000467993568 532458339 /nfs/dbraw/zinc/45/83/39/532458339.db2.gz IFCZBZLFIZAIGE-STQMWFEESA-N 1 0 382.302 2.168 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CO)CCF)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000650997581 532459844 /nfs/dbraw/zinc/45/98/44/532459844.db2.gz IVOUTDWSTMADQX-IOASZLSFSA-N 1 0 375.847 2.492 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC000373623611 532459914 /nfs/dbraw/zinc/45/99/14/532459914.db2.gz FYBYKYGVVFSJKF-ZDUSSCGKSA-N 1 0 396.329 2.428 20 0 GEADRO CCSc1ccc(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(Br)c1 ZINC000628018719 532462799 /nfs/dbraw/zinc/46/27/99/532462799.db2.gz IIKNNDVBRXQBFF-UONOGXRCSA-N 1 0 399.354 2.381 20 0 GEADRO COc1nc(C)c(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000373610898 532460946 /nfs/dbraw/zinc/46/09/46/532460946.db2.gz SZDWOYWZUITNNL-ZDUSSCGKSA-N 1 0 398.301 2.144 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NC[C@H](C)[NH3+])C1 ZINC000194879122 532461078 /nfs/dbraw/zinc/46/10/78/532461078.db2.gz OVUJBMJHGBJNKE-STQMWFEESA-N 1 0 382.302 2.073 20 0 GEADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000468425154 532464149 /nfs/dbraw/zinc/46/41/49/532464149.db2.gz DTAPTNXUDQZDLT-AWEZNQCLSA-N 1 0 387.571 2.463 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(S(C)(=O)=O)s1)c1ccccc1 ZINC000468423030 532464442 /nfs/dbraw/zinc/46/44/42/532464442.db2.gz HSIPMGKZJLIWGG-HNNXBMFYSA-N 1 0 381.523 2.254 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000519419240 532464484 /nfs/dbraw/zinc/46/44/84/532464484.db2.gz LZWKYZBAHWRPPB-OSAQELSMSA-N 1 0 380.286 2.140 20 0 GEADRO CCOc1cc(C[NH+](CCO)CCO)cc(Br)c1OC(F)F ZINC000628369444 532464604 /nfs/dbraw/zinc/46/46/04/532464604.db2.gz AEYMYXWFIBHNQH-UHFFFAOYSA-N 1 0 384.217 2.236 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000519435155 532464614 /nfs/dbraw/zinc/46/46/14/532464614.db2.gz JCSKWKYPGKYDIL-AWEZNQCLSA-N 1 0 396.329 2.474 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000282412773 532464962 /nfs/dbraw/zinc/46/49/62/532464962.db2.gz IESUPKZTCDBROQ-UHFFFAOYSA-N 1 0 394.317 2.081 20 0 GEADRO COC(=O)CN1CCC([NH2+][C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000282419975 532465282 /nfs/dbraw/zinc/46/52/82/532465282.db2.gz DSHUZTPCYCLAHI-AWEZNQCLSA-N 1 0 387.249 2.249 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCn1cc(Br)ccc1=O ZINC000468456965 532465822 /nfs/dbraw/zinc/46/58/22/532465822.db2.gz AOOPRCLEBDMADN-AWEZNQCLSA-N 1 0 384.318 2.238 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000683913704 532467271 /nfs/dbraw/zinc/46/72/71/532467271.db2.gz PUTOXTHPOXFZNQ-KBXCAEBGSA-N 1 0 399.329 2.440 20 0 GEADRO C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000428975508 532466330 /nfs/dbraw/zinc/46/63/30/532466330.db2.gz HNEFPVJXOYFUHP-STQMWFEESA-N 1 0 397.317 2.465 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(I)cc1)[NH+]1CCCC1 ZINC000562468048 532466433 /nfs/dbraw/zinc/46/64/33/532466433.db2.gz LZXWJAZUERSOKK-LLVKDONJSA-N 1 0 394.278 2.054 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000683907149 532466689 /nfs/dbraw/zinc/46/66/89/532466689.db2.gz DDOGELQGAHLTLF-UHFFFAOYSA-N 1 0 375.270 2.413 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccn1-c1ccc(I)cc1 ZINC000428967636 532466870 /nfs/dbraw/zinc/46/68/70/532466870.db2.gz NJRTXTPDYZZYRN-UHFFFAOYSA-N 1 0 383.233 2.373 20 0 GEADRO OC[C@@]1([NH2+]C[C@@H]2CNc3ccnn3C2)CCc2cc(Br)ccc2C1 ZINC000628423578 532468015 /nfs/dbraw/zinc/46/80/15/532468015.db2.gz AHZCKTAZWXLWKW-SCLBCKFNSA-N 1 0 391.313 2.197 20 0 GEADRO OC[C@@]1([NH2+]C[C@H]2CNc3ccnn3C2)CCc2cc(Br)ccc2C1 ZINC000628423577 532468102 /nfs/dbraw/zinc/46/81/02/532468102.db2.gz AHZCKTAZWXLWKW-FZKQIMNGSA-N 1 0 391.313 2.197 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000428998114 532468190 /nfs/dbraw/zinc/46/81/90/532468190.db2.gz UDEPTIDWEFHRBF-JTQLQIEISA-N 1 0 384.221 2.121 20 0 GEADRO CN(CC(=O)NC1CCC([NH+](C)C)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000519594365 532470598 /nfs/dbraw/zinc/47/05/98/532470598.db2.gz ZPAJAIRMFIMGMG-UHFFFAOYSA-N 1 0 393.962 2.011 20 0 GEADRO OC[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1cccc(Br)c1 ZINC000684200239 532471575 /nfs/dbraw/zinc/47/15/75/532471575.db2.gz QKPYXBDEERUVLQ-GJZGRUSLSA-N 1 0 379.302 2.128 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN2CCOc3c(Br)cccc3C2)CC1 ZINC000684210043 532471705 /nfs/dbraw/zinc/47/17/05/532471705.db2.gz RGUGYBKFBBGEQI-UHFFFAOYSA-N 1 0 396.329 2.244 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1Br ZINC000373815995 532472485 /nfs/dbraw/zinc/47/24/85/532472485.db2.gz SOIBVHZCPFHBHU-GFCCVEGCSA-N 1 0 396.260 2.308 20 0 GEADRO Cc1ccc(Br)cc1-c1nnc(NC[C@@](C)(O)C[NH+](C)C)s1 ZINC000468721709 532472544 /nfs/dbraw/zinc/47/25/44/532472544.db2.gz ASYLUJYEWUDTRD-OAHLLOKOSA-N 1 0 385.331 3.001 20 0 GEADRO O=S(=O)(c1cccc(Br)c1F)N(C1CC1)C1CC[NH2+]CC1 ZINC000373837745 532473379 /nfs/dbraw/zinc/47/33/79/532473379.db2.gz UDVQDFOFHXNVSU-UHFFFAOYSA-N 1 0 377.279 2.493 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(-c3ccc(Cl)s3)nn2)CC1 ZINC000651331787 532467445 /nfs/dbraw/zinc/46/74/45/532467445.db2.gz DSOLEYSHJAAITK-UHFFFAOYSA-N 1 0 379.917 2.459 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000683913705 532467659 /nfs/dbraw/zinc/46/76/59/532467659.db2.gz PUTOXTHPOXFZNQ-KDOFPFPSSA-N 1 0 399.329 2.440 20 0 GEADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000295806488 532477175 /nfs/dbraw/zinc/47/71/75/532477175.db2.gz WMYUJLDIPGBFHJ-UHFFFAOYSA-N 1 0 396.738 2.460 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000429427339 532477197 /nfs/dbraw/zinc/47/71/97/532477197.db2.gz GRCOMOFRIZIXJY-OLZOCXBDSA-N 1 0 378.332 2.013 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000519777221 532478268 /nfs/dbraw/zinc/47/82/68/532478268.db2.gz QSRRNHSAQYQTCD-OLZOCXBDSA-N 1 0 394.313 2.307 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC[C@@H](C)C[NH+](C)C ZINC000295817153 532478563 /nfs/dbraw/zinc/47/85/63/532478563.db2.gz XKVVXYADWKOUPJ-CHWSQXEVSA-N 1 0 386.334 2.250 20 0 GEADRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684611465 532479806 /nfs/dbraw/zinc/47/98/06/532479806.db2.gz DGSVHJVTFQPZAV-RCBQFDQVSA-N 1 0 389.949 2.008 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000519816771 532479831 /nfs/dbraw/zinc/47/98/31/532479831.db2.gz FOEARLGVIYPFTC-HNNXBMFYSA-N 1 0 384.318 2.131 20 0 GEADRO CC[C@@H]([NH2+]CC1(OC)CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684611743 532480111 /nfs/dbraw/zinc/48/01/11/532480111.db2.gz KZOVARVARMPMDU-OAHLLOKOSA-N 1 0 390.933 2.484 20 0 GEADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(I)cc1)CC2 ZINC000295833988 532480205 /nfs/dbraw/zinc/48/02/05/532480205.db2.gz VLSUXLVIXCXVGJ-ZDUSSCGKSA-N 1 0 398.248 2.134 20 0 GEADRO CCc1ccc([C@H]2CNCCN2S(=O)(=O)c2c(C)nn(C)c2Cl)cc1 ZINC000374309329 532496780 /nfs/dbraw/zinc/49/67/80/532496780.db2.gz HODZTSOGEYSDIL-OAHLLOKOSA-N 1 0 382.917 2.280 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(c2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000519822183 532480960 /nfs/dbraw/zinc/48/09/60/532480960.db2.gz PPZJAPKGVDMYNC-UHFFFAOYSA-N 1 0 395.223 2.073 20 0 GEADRO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ncc(Br)cn1 ZINC000519869353 532481461 /nfs/dbraw/zinc/48/14/61/532481461.db2.gz DFIFEEMFOBTVIL-SGMGOOAPSA-N 1 0 382.306 2.426 20 0 GEADRO [NH3+]C[C@@H]1CCCN1C(=O)CCC(=O)c1ccc(I)cc1 ZINC000429633316 532481919 /nfs/dbraw/zinc/48/19/19/532481919.db2.gz GLPHEGMIUBLWQE-ZDUSSCGKSA-N 1 0 386.233 2.204 20 0 GEADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NCC1CC[NH2+]CC1 ZINC000562761572 532482454 /nfs/dbraw/zinc/48/24/54/532482454.db2.gz VUYQVKQTFZADOH-UHFFFAOYSA-N 1 0 388.237 2.496 20 0 GEADRO COCC[C@@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811277 532484891 /nfs/dbraw/zinc/48/48/91/532484891.db2.gz HRQPKIBHYWZLSW-XJKSGUPXSA-N 1 0 389.327 2.355 20 0 GEADRO CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374010736 532485261 /nfs/dbraw/zinc/48/52/61/532485261.db2.gz RNXTWIPRTFFITP-CYBMUJFWSA-N 1 0 387.322 2.214 20 0 GEADRO C[C@H](CNC(=O)CCOc1ccccc1I)[NH+](C)C ZINC000468992075 532485400 /nfs/dbraw/zinc/48/54/00/532485400.db2.gz PALPXDFXKWWFCP-LLVKDONJSA-N 1 0 376.238 2.126 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)NCC12CCC[NH+]1CCC2 ZINC000684848492 532485750 /nfs/dbraw/zinc/48/57/50/532485750.db2.gz UMPMFYLWIOWVAC-UHFFFAOYSA-N 1 0 394.313 2.314 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)c1cc(I)ccc1O ZINC000221644688 532485993 /nfs/dbraw/zinc/48/59/93/532485993.db2.gz ZYDPJGVURNAECM-UHFFFAOYSA-N 1 0 376.238 2.457 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000520113483 532486247 /nfs/dbraw/zinc/48/62/47/532486247.db2.gz KXHKYRFHMIZYTG-NWDGAFQWSA-N 1 0 378.300 2.373 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(NS(C)(=O)=O)cc1 ZINC000469229527 532497027 /nfs/dbraw/zinc/49/70/27/532497027.db2.gz OBFYKYZWJDOSHW-LLVKDONJSA-N 1 0 388.536 2.374 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000282683961 532487868 /nfs/dbraw/zinc/48/78/68/532487868.db2.gz DFGIBROKNIKZKV-INIZCTEOSA-N 1 0 396.329 2.417 20 0 GEADRO CC[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 ZINC000469224799 532497068 /nfs/dbraw/zinc/49/70/68/532497068.db2.gz DWIDGBJYFAPDGQ-UHFFFAOYSA-N 1 0 382.961 2.469 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000236744271 532497075 /nfs/dbraw/zinc/49/70/75/532497075.db2.gz GVIXOTZPTBKTTP-HOTGVXAUSA-N 1 0 383.286 2.118 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)C[C@H]21 ZINC000629354155 532489017 /nfs/dbraw/zinc/48/90/17/532489017.db2.gz HSALYOGOYSMHCO-BWPRHRIFSA-N 1 0 397.697 2.422 20 0 GEADRO C[NH+](C)CC1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000430054025 532489306 /nfs/dbraw/zinc/48/93/06/532489306.db2.gz NZURJYONCFGTBX-UHFFFAOYSA-N 1 0 389.359 2.496 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000374089791 532489314 /nfs/dbraw/zinc/48/93/14/532489314.db2.gz WNVALAJMNHNKTR-XYYAHUGASA-N 1 0 387.299 2.027 20 0 GEADRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000651705349 532489393 /nfs/dbraw/zinc/48/93/93/532489393.db2.gz POWKJOKZRAIBMB-AWEZNQCLSA-N 1 0 390.571 2.310 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000685025496 532489664 /nfs/dbraw/zinc/48/96/64/532489664.db2.gz QTNJZYAOGDWVLB-QMMMGPOBSA-N 1 0 392.656 2.391 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccccc3I)C[C@H]21 ZINC000228476663 532489806 /nfs/dbraw/zinc/48/98/06/532489806.db2.gz VYFVYNMYOXHKHH-OUCADQQQSA-N 1 0 399.276 2.289 20 0 GEADRO O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)[C@H]1C[NH2+]CCO1 ZINC000430088759 532489956 /nfs/dbraw/zinc/48/99/56/532489956.db2.gz WKGXOVRAKHBXCR-SNVBAGLBSA-N 1 0 387.234 2.034 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000282705555 532490163 /nfs/dbraw/zinc/49/01/63/532490163.db2.gz KDSBBCUWHLMWRK-GFCCVEGCSA-N 1 0 394.317 2.081 20 0 GEADRO COCC[C@](C)(O)C[NH2+]Cc1ncc(Br)cc1Br ZINC000229603464 532490342 /nfs/dbraw/zinc/49/03/42/532490342.db2.gz JZMBGVXNLBSYKM-LBPRGKRZSA-N 1 0 382.096 2.484 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)NCc1ccc(S(C)(=O)=O)s1)C(C)(C)C ZINC000469085097 532490735 /nfs/dbraw/zinc/49/07/35/532490735.db2.gz QQPUGNKFFKMMPG-CYBMUJFWSA-N 1 0 375.560 2.317 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000374108430 532490910 /nfs/dbraw/zinc/49/09/10/532490910.db2.gz PUWKCCBZSWFPPS-FZMZJTMJSA-N 1 0 387.311 2.362 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000229575494 532491131 /nfs/dbraw/zinc/49/11/31/532491131.db2.gz IIFZNKUXXLEURM-UHFFFAOYSA-N 1 0 375.288 2.046 20 0 GEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000629417175 532491161 /nfs/dbraw/zinc/49/11/61/532491161.db2.gz CZJXCVITJRNDKA-UHFFFAOYSA-N 1 0 399.333 2.139 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000374108432 532491198 /nfs/dbraw/zinc/49/11/98/532491198.db2.gz PUWKCCBZSWFPPS-SMDDNHRTSA-N 1 0 387.311 2.362 20 0 GEADRO O=C(COC1CC[NH2+]CC1)Nc1cnn(-c2ccccc2Br)c1 ZINC000520394152 532491315 /nfs/dbraw/zinc/49/13/15/532491315.db2.gz NJAGECRTUFDIGX-UHFFFAOYSA-N 1 0 379.258 2.342 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CC[N@@H+]1CC(C)(C)O ZINC000282750594 532492617 /nfs/dbraw/zinc/49/26/17/532492617.db2.gz OBIOFEKVCZHCNB-NSHDSACASA-N 1 0 395.301 2.243 20 0 GEADRO COCCN1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000562984980 532492651 /nfs/dbraw/zinc/49/26/51/532492651.db2.gz NQMGWGVYCJIOHM-CABCVRRESA-N 1 0 377.312 2.434 20 0 GEADRO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000562985915 532492743 /nfs/dbraw/zinc/49/27/43/532492743.db2.gz WCSJWSAXTSJJNZ-HOCLYGCPSA-N 1 0 385.302 2.322 20 0 GEADRO C[N@H+](CCn1cc(Br)cn1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685477409 532493051 /nfs/dbraw/zinc/49/30/51/532493051.db2.gz UCKRWOVXMSYHTE-UHFFFAOYSA-N 1 0 387.303 2.149 20 0 GEADRO COc1ccc(Br)c(CN(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000430205208 532493311 /nfs/dbraw/zinc/49/33/11/532493311.db2.gz JBLZMUNCJBHNDU-ZDUSSCGKSA-N 1 0 385.302 2.384 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000236665064 532493490 /nfs/dbraw/zinc/49/34/90/532493490.db2.gz KFDTXTMKLYRHMV-INIZCTEOSA-N 1 0 394.313 2.170 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000236698564 532494094 /nfs/dbraw/zinc/49/40/94/532494094.db2.gz CUBDNTVMPALBGR-BBRMVZONSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)Nc1cccc(Br)c1 ZINC000374223431 532494403 /nfs/dbraw/zinc/49/44/03/532494403.db2.gz XOXCCHLHZVMSSJ-LRDDRELGSA-N 1 0 382.302 2.229 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(I)c1 ZINC000520582028 532495067 /nfs/dbraw/zinc/49/50/67/532495067.db2.gz JSIGAQRSBOXBTJ-LBPRGKRZSA-N 1 0 394.278 2.183 20 0 GEADRO C[NH2+]CCOCCN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000629528900 532495288 /nfs/dbraw/zinc/49/52/88/532495288.db2.gz MPTLBENYLKIJCV-GFCCVEGCSA-N 1 0 382.306 2.225 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000236737484 532496081 /nfs/dbraw/zinc/49/60/81/532496081.db2.gz JAKVINIUVPSZRL-UHFFFAOYSA-N 1 0 398.301 2.198 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCOc1ncccc1Cl ZINC000519662682 532474317 /nfs/dbraw/zinc/47/43/17/532474317.db2.gz SMBYADCTYQLLIG-MRXNPFEDSA-N 1 0 381.885 2.428 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1Cl ZINC000373837548 532474256 /nfs/dbraw/zinc/47/42/56/532474256.db2.gz SBJINZHWMRSNQW-ZJUUUORDSA-N 1 0 378.903 2.012 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(S(=O)(=O)NC)cs1)CC(C)C ZINC000468753945 532474497 /nfs/dbraw/zinc/47/44/97/532474497.db2.gz ADCQXNQGLSQCGG-ZDUSSCGKSA-N 1 0 375.560 2.143 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccncc1I ZINC000593177791 532474639 /nfs/dbraw/zinc/47/46/39/532474639.db2.gz XMJQVQNBRNXACO-UHFFFAOYSA-N 1 0 388.253 2.058 20 0 GEADRO NC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000373874658 532475873 /nfs/dbraw/zinc/47/58/73/532475873.db2.gz RQHMZIURMKVUHE-CQSZACIVSA-N 1 0 386.279 2.008 20 0 GEADRO Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H](N4CCCS4(=O)=O)C3)s2)cn1 ZINC000282797027 532496678 /nfs/dbraw/zinc/49/66/78/532496678.db2.gz MTIPUHLGGJAVNP-HNNXBMFYSA-N 1 0 380.539 2.149 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)COc1cccc(I)c1 ZINC000469382395 532502331 /nfs/dbraw/zinc/50/23/31/532502331.db2.gz XBTLRZBJMRLRDP-LBPRGKRZSA-N 1 0 388.249 2.223 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629785222 532502379 /nfs/dbraw/zinc/50/23/79/532502379.db2.gz HWQTWGKLSUVWHS-HDICACEKSA-N 1 0 384.307 2.410 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000237003325 532502597 /nfs/dbraw/zinc/50/25/97/532502597.db2.gz BJJYTTWZHSFUCG-CYBMUJFWSA-N 1 0 387.933 2.100 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430972342 532502790 /nfs/dbraw/zinc/50/27/90/532502790.db2.gz RUPLAZRAGHBVRA-SUNKGSAMSA-N 1 0 387.265 2.287 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430972341 532503246 /nfs/dbraw/zinc/50/32/46/532503246.db2.gz RUPLAZRAGHBVRA-JTNHKYCSSA-N 1 0 387.265 2.287 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)n(C)c2=O)C[C@@H]1C ZINC000469456044 532503309 /nfs/dbraw/zinc/50/33/09/532503309.db2.gz BIZLLBJMNZCHEA-WCQYABFASA-N 1 0 384.318 2.401 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000237058101 532503375 /nfs/dbraw/zinc/50/33/75/532503375.db2.gz HGBPQZVSZNPIQW-LLVKDONJSA-N 1 0 378.270 2.362 20 0 GEADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1CCc2cc(Br)ccc21 ZINC000563394041 532503862 /nfs/dbraw/zinc/50/38/62/532503862.db2.gz AOKONABICCMAFL-FUHWJXTLSA-N 1 0 379.298 2.052 20 0 GEADRO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cccc(I)c1 ZINC000521045001 532504325 /nfs/dbraw/zinc/50/43/25/532504325.db2.gz FDXLZKZMKAOQJH-INIZCTEOSA-N 1 0 399.276 2.305 20 0 GEADRO C[NH2+]C1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)CC1 ZINC000237079534 532504503 /nfs/dbraw/zinc/50/45/03/532504503.db2.gz CCQQNPHCCPACJN-MRXNPFEDSA-N 1 0 383.945 2.402 20 0 GEADRO CCO[C@@H]1CN(C(=O)NCC2(c3ccccc3Br)CC2)C[C@H]1C[NH3+] ZINC000652157058 532504420 /nfs/dbraw/zinc/50/44/20/532504420.db2.gz RUAWBJCWHVBWDW-CZUORRHYSA-N 1 0 396.329 2.486 20 0 GEADRO C[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000237059608 532504524 /nfs/dbraw/zinc/50/45/24/532504524.db2.gz QBOIRSHCOAUTFE-AWEZNQCLSA-N 1 0 394.313 2.260 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000237073244 532504550 /nfs/dbraw/zinc/50/45/50/532504550.db2.gz CTVHBRDACYFIIQ-CHWSQXEVSA-N 1 0 376.320 2.063 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469537034 532504684 /nfs/dbraw/zinc/50/46/84/532504684.db2.gz FMRJHOLOFCNBRY-UHFFFAOYSA-N 1 0 386.290 2.169 20 0 GEADRO CCO[C@@H]1CN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000652197273 532504996 /nfs/dbraw/zinc/50/49/96/532504996.db2.gz SVMDZOWELVLSSW-IAQYHMDHSA-N 1 0 376.284 2.377 20 0 GEADRO O=C(Nc1nnc(SCc2ccccc2)s1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563436898 532505012 /nfs/dbraw/zinc/50/50/12/532505012.db2.gz YEEMFPGCIVETPE-KGLIPLIRSA-N 1 0 375.523 2.904 20 0 GEADRO C[NH2+]C1(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CCC1 ZINC000630004187 532505610 /nfs/dbraw/zinc/50/56/10/532505610.db2.gz OTWYPVCTDVKINA-OAHLLOKOSA-N 1 0 394.313 2.198 20 0 GEADRO C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CCC1 ZINC000630000408 532505803 /nfs/dbraw/zinc/50/58/03/532505803.db2.gz JFCAZMMLALCLJN-OAHLLOKOSA-N 1 0 394.313 2.312 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c2ccsc2S1(=O)=O ZINC000652193604 532505799 /nfs/dbraw/zinc/50/57/99/532505799.db2.gz OHXMLMQHDHYOEU-GWIFVGGISA-N 1 0 383.539 2.126 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000237291207 532506126 /nfs/dbraw/zinc/50/61/26/532506126.db2.gz VBBICZTZBPGFSE-LLVKDONJSA-N 1 0 388.331 2.041 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000237243158 532506305 /nfs/dbraw/zinc/50/63/05/532506305.db2.gz GKFXGUFWRDMBBD-UONOGXRCSA-N 1 0 394.313 2.260 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000521114560 532506528 /nfs/dbraw/zinc/50/65/28/532506528.db2.gz CTMPUWXCYAUCNC-LBPRGKRZSA-N 1 0 383.290 2.029 20 0 GEADRO C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563599343 532506537 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20 0 GEADRO C[C@H]1CN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)CC[NH2+]1 ZINC000237759598 532511020 /nfs/dbraw/zinc/51/10/20/532511020.db2.gz OKARLWVSKGVDME-NSHDSACASA-N 1 0 390.285 2.341 20 0 GEADRO Cc1ccc(I)c(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1 ZINC000431379078 532511382 /nfs/dbraw/zinc/51/13/82/532511382.db2.gz OVZHTWWDZUGAPY-OAHLLOKOSA-N 1 0 390.265 2.032 20 0 GEADRO CC[NH+]1CCC(CNC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000563863872 532511446 /nfs/dbraw/zinc/51/14/46/532511446.db2.gz BMCZJFQPAAGJNM-UHFFFAOYSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@@H]1[C@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CCC[N@@H+]1C ZINC000469763625 532511475 /nfs/dbraw/zinc/51/14/75/532511475.db2.gz KOTZXRQSIZGCLM-DDTOSNHZSA-N 1 0 380.286 2.474 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)N3CC[NH2+][C@@H](C)C3)[nH]c(=O)c2c1C ZINC000237754632 532511548 /nfs/dbraw/zinc/51/15/48/532511548.db2.gz LKHFFPHFENPSEG-JOYOIKCWSA-N 1 0 380.539 2.043 20 0 GEADRO O=C(C1CC[NH2+]CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000237706099 532511664 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Cc1c(Br)cc(C(=O)NCC2(C[NH+](C)C)CCCC2)c(=O)n1C ZINC000469803171 532512676 /nfs/dbraw/zinc/51/26/76/532512676.db2.gz ZRBWUPNOJHGYGL-UHFFFAOYSA-N 1 0 384.318 2.308 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1F ZINC000594532268 532513675 /nfs/dbraw/zinc/51/36/75/532513675.db2.gz LDNNNQMIIRNQBY-VWYCJHECSA-N 1 0 392.880 2.260 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1F ZINC000594529718 532514037 /nfs/dbraw/zinc/51/40/37/532514037.db2.gz FATDOSVVMBRFKY-CYBMUJFWSA-N 1 0 392.880 2.452 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c(C)s1 ZINC000563952534 532514085 /nfs/dbraw/zinc/51/40/85/532514085.db2.gz KMEXGHCREDMNJS-PBHICJAKSA-N 1 0 382.551 2.397 20 0 GEADRO NCc1nc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000238022999 532514996 /nfs/dbraw/zinc/51/49/96/532514996.db2.gz CBQNBVZQIZFDFW-UHFFFAOYSA-N 1 0 378.885 2.244 20 0 GEADRO COC(=O)c1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c(C)o1 ZINC000594608005 532515061 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C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)cnn1C ZINC000296379850 532517326 /nfs/dbraw/zinc/51/73/26/532517326.db2.gz UACUOWHVJMJHSO-WFASDCNBSA-N 1 0 377.286 2.433 20 0 GEADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@H]1C ZINC000470003545 532517991 /nfs/dbraw/zinc/51/79/91/532517991.db2.gz RQAGZZGDPXVVIW-JSGCOSHPSA-N 1 0 383.286 2.291 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000374774580 532518047 /nfs/dbraw/zinc/51/80/47/532518047.db2.gz BCABUTWUBJSATD-NEPJUHHUSA-N 1 0 387.299 2.167 20 0 GEADRO CCOc1ccc(S(=O)(=O)NC2(C[NH3+])CCCC2)cc1Br ZINC000236863275 532497716 /nfs/dbraw/zinc/49/77/16/532497716.db2.gz JFLGCTUULUZFMB-UHFFFAOYSA-N 1 0 377.304 2.398 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)COc1ccc(I)cc1 ZINC000236818481 532498242 /nfs/dbraw/zinc/49/82/42/532498242.db2.gz OJQPZPUPALASPT-LBPRGKRZSA-N 1 0 376.238 2.304 20 0 GEADRO CCC[NH2+]CCNC(=O)c1cc(OC)c(OC)cc1I ZINC000236820697 532498448 /nfs/dbraw/zinc/49/84/48/532498448.db2.gz XHIUQVZDUCADIF-UHFFFAOYSA-N 1 0 392.237 2.038 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000236835441 532498594 /nfs/dbraw/zinc/49/85/94/532498594.db2.gz NQDKCWQXWKGPIR-GHMZBOCLSA-N 1 0 390.347 2.461 20 0 GEADRO C[NH2+]CCOCCN(C)Cc1ncc(Br)cc1Br ZINC000629654866 532498851 /nfs/dbraw/zinc/49/88/51/532498851.db2.gz SWCYKBYCDKQVST-UHFFFAOYSA-N 1 0 381.112 2.274 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000236813274 532498896 /nfs/dbraw/zinc/49/88/96/532498896.db2.gz JPVUPJXLIYAGTE-ZDUSSCGKSA-N 1 0 395.301 2.183 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccc(I)cc1 ZINC000430624587 532500920 /nfs/dbraw/zinc/50/09/20/532500920.db2.gz JBECJEAESGEMAC-BXUZGUMPSA-N 1 0 387.265 2.431 20 0 GEADRO Brc1ccccc1-n1nnnc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296089886 532501386 /nfs/dbraw/zinc/50/13/86/532501386.db2.gz HJLZNITTXWAIEX-HFBAOOFYSA-N 1 0 390.285 2.472 20 0 GEADRO CC[NH+](CC)CCSCC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000469392320 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532578481 /nfs/dbraw/zinc/57/84/81/532578481.db2.gz UMBFAIJTOFEALE-NXEZZACHSA-N 1 0 386.823 2.486 20 0 GEADRO CC1([NH+]2CCOCC2)CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000528726226 532578672 /nfs/dbraw/zinc/57/86/72/532578672.db2.gz BRGIYZWAMGXTRP-INIZCTEOSA-N 1 0 396.329 2.162 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000595935081 532578743 /nfs/dbraw/zinc/57/87/43/532578743.db2.gz YFXOLZAFSSLBIT-QXSJWSMHSA-N 1 0 395.297 2.292 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)CC[C@H]21 ZINC000297299573 532579345 /nfs/dbraw/zinc/57/93/45/532579345.db2.gz INJBQMIRMXTLPP-DGCLKSJQSA-N 1 0 393.289 2.440 20 0 GEADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NCC12CC(C1)C[NH2+]2 ZINC000595946961 532579482 /nfs/dbraw/zinc/57/94/82/532579482.db2.gz FCJHBTAUUSKBOZ-XQUUYDPZSA-N 1 0 385.327 2.205 20 0 GEADRO C[NH+](C)CCCCNC(=O)c1sc2c(c1I)CNC2 ZINC000595941771 532579791 /nfs/dbraw/zinc/57/97/91/532579791.db2.gz CYEHHZLISJHZPI-UHFFFAOYSA-N 1 0 393.294 2.028 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)c1sc2c(c1I)CNC2 ZINC000595948310 532580094 /nfs/dbraw/zinc/58/00/94/532580094.db2.gz UDIVWHLHISESTO-UHFFFAOYSA-N 1 0 393.294 2.026 20 0 GEADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCC(F)(F)C[C@H]2C)c1C ZINC000528763205 532580165 /nfs/dbraw/zinc/58/01/65/532580165.db2.gz AJUOFQKWYLIQNI-LLVKDONJSA-N 1 0 375.441 2.009 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)CC[C@@H]21 ZINC000297299588 532580336 /nfs/dbraw/zinc/58/03/36/532580336.db2.gz INJBQMIRMXTLPP-YPMHNXCESA-N 1 0 393.289 2.440 20 0 GEADRO COC(=O)c1cn(CC[NH2+][C@H](C)c2ccc(OC)cc2Br)nn1 ZINC000284181055 532580675 /nfs/dbraw/zinc/58/06/75/532580675.db2.gz ALRBXQMFICDZDH-SNVBAGLBSA-N 1 0 383.246 2.187 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000565854967 532580829 /nfs/dbraw/zinc/58/08/29/532580829.db2.gz OISABCIIXLOWKJ-GFCCVEGCSA-N 1 0 386.568 2.232 20 0 GEADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CCN2CCCC[C@@H]2C1 ZINC000297328926 532581118 /nfs/dbraw/zinc/58/11/18/532581118.db2.gz MLUXOVGCAFEFAL-GFCCVEGCSA-N 1 0 379.262 2.194 20 0 GEADRO Cc1ccc(C)c(SCC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000262010128 532581262 /nfs/dbraw/zinc/58/12/62/532581262.db2.gz NZWYBNRUIZNDIV-HNNXBMFYSA-N 1 0 375.460 2.348 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cccc3nccn32)C1 ZINC000375748379 532581344 /nfs/dbraw/zinc/58/13/44/532581344.db2.gz YMIQUMDCCVIFCS-CQSZACIVSA-N 1 0 376.507 2.196 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261998399 532581430 /nfs/dbraw/zinc/58/14/30/532581430.db2.gz NHWLFZBNVQDHIS-CRAIPNDOSA-N 1 0 383.945 2.389 20 0 GEADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376453454 532613691 /nfs/dbraw/zinc/61/36/91/532613691.db2.gz FUOAOUNWYPJVOO-QPUJVOFHSA-N 1 0 381.242 2.100 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCc2cc(Br)cs2)CC1 ZINC000284721640 532613893 /nfs/dbraw/zinc/61/38/93/532613893.db2.gz GNBUTGCKRILNBZ-UHFFFAOYSA-N 1 0 388.331 2.116 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(Cc3nc(-c4cccc(Br)c4)no3)[C@H]2C1 ZINC000284728564 532613998 /nfs/dbraw/zinc/61/39/98/532613998.db2.gz CGFIFLHWVKOLFC-LSDHHAIUSA-N 1 0 393.285 2.404 20 0 GEADRO COc1cc(C(=O)Nc2ccnn2CC[NH+](C)C)cc(Br)c1OC ZINC000566522039 532614160 /nfs/dbraw/zinc/61/41/60/532614160.db2.gz DGZLIQQCWULGIV-UHFFFAOYSA-N 1 0 397.273 2.477 20 0 GEADRO O=C(NCCc1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000656320401 532614250 /nfs/dbraw/zinc/61/42/50/532614250.db2.gz QRIQZUNQANQXPX-DLBZAZTESA-N 1 0 396.329 2.232 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@@H]1SC ZINC000597178138 532614418 /nfs/dbraw/zinc/61/44/18/532614418.db2.gz BEQUZDMWQVYYDP-MCIONIFRSA-N 1 0 388.331 2.073 20 0 GEADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@@H](C[NH3+])C1 ZINC000435380749 532614504 /nfs/dbraw/zinc/61/45/04/532614504.db2.gz PQAXXRCRDGGEMQ-ZDUSSCGKSA-N 1 0 385.302 2.480 20 0 GEADRO C[NH2+]C[C@H]1CCN(Cc2cc(I)c(OC)c(OC)c2)C1 ZINC000435383709 532614590 /nfs/dbraw/zinc/61/45/90/532614590.db2.gz IQYFVVXOTWKCGW-LLVKDONJSA-N 1 0 390.265 2.350 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccccc1Br)[C@H]1CCN2CCO[C@H]1C2 ZINC000298050576 532622092 /nfs/dbraw/zinc/62/20/92/532622092.db2.gz FDHYWBOYHDHJFY-HOTGVXAUSA-N 1 0 382.302 2.183 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656360860 532615986 /nfs/dbraw/zinc/61/59/86/532615986.db2.gz WPNLUVDPTUKHAU-KBPBESRZSA-N 1 0 398.301 2.134 20 0 GEADRO C[S@](=O)C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1 ZINC000566570040 532616932 /nfs/dbraw/zinc/61/69/32/532616932.db2.gz JWSHINYGRSTSFL-ATLLOTDBSA-N 1 0 380.579 2.440 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000566571801 532617969 /nfs/dbraw/zinc/61/79/69/532617969.db2.gz FTGPAMDTQHRAJR-BXKDBHETSA-N 1 0 395.294 2.393 20 0 GEADRO C[C@H](C(=O)N1CCCC1)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000656446737 532619843 /nfs/dbraw/zinc/61/98/43/532619843.db2.gz ZSJPCTNWQCQCHE-ABAIWWIYSA-N 1 0 378.274 2.272 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000474569449 532620170 /nfs/dbraw/zinc/62/01/70/532620170.db2.gz AYNPCSZZNBQCHT-CYBMUJFWSA-N 1 0 394.313 2.355 20 0 GEADRO CN(CC(F)(F)Br)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376614714 532620794 /nfs/dbraw/zinc/62/07/94/532620794.db2.gz QSFCQWUZKPPZSJ-UHFFFAOYSA-N 1 0 380.237 2.601 20 0 GEADRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Cl)cc1F ZINC000566620114 532620843 /nfs/dbraw/zinc/62/08/43/532620843.db2.gz MYMMBWNUPQCFST-LBPRGKRZSA-N 1 0 376.881 2.164 20 0 GEADRO COC1([C@@H](CO)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)CCC1 ZINC000656462686 532620903 /nfs/dbraw/zinc/62/09/03/532620903.db2.gz JIMISAPVFGJYSX-CABCVRRESA-N 1 0 381.274 2.191 20 0 GEADRO C[C@]12COC[C@@H]1C[N@@H+]([C@@H]1CC(=O)N(c3ccc(Br)cc3)C1=O)C2 ZINC000656477786 532621280 /nfs/dbraw/zinc/62/12/80/532621280.db2.gz NICQYZCOGCFVLR-KHIZAZIESA-N 1 0 379.254 2.049 20 0 GEADRO O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000566157954 532596298 /nfs/dbraw/zinc/59/62/98/532596298.db2.gz XIGCFOUMMUINAB-MLGOLLRUSA-N 1 0 379.233 2.916 20 0 GEADRO C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000297545467 532596242 /nfs/dbraw/zinc/59/62/42/532596242.db2.gz ZEOBJESBCBPGCF-LRDDRELGSA-N 1 0 390.311 2.437 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(Br)c(F)c2F)C1 ZINC000529188143 532596766 /nfs/dbraw/zinc/59/67/66/532596766.db2.gz RPCYXHPJCDWHBU-OAHLLOKOSA-N 1 0 377.229 2.256 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000529378231 532597913 /nfs/dbraw/zinc/59/79/13/532597913.db2.gz OQTJSOAMHBVEKS-INIZCTEOSA-N 1 0 382.302 2.359 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000529376943 532598957 /nfs/dbraw/zinc/59/89/57/532598957.db2.gz OZTAKYONVYPFRJ-WDEREUQCSA-N 1 0 378.420 2.039 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(c2ccc(I)cn2)CCO1 ZINC000596566012 532599210 /nfs/dbraw/zinc/59/92/10/532599210.db2.gz JUDJPEJRCHDAHD-ZDUSSCGKSA-N 1 0 375.254 2.233 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000529388343 532599485 /nfs/dbraw/zinc/59/94/85/532599485.db2.gz RSLIPKFATJLBGY-HOCLYGCPSA-N 1 0 382.302 2.012 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000297634466 532599616 /nfs/dbraw/zinc/59/96/16/532599616.db2.gz YOWONRKSYSSAGY-OAHLLOKOSA-N 1 0 387.933 2.239 20 0 GEADRO COc1ncc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1Cl ZINC000284527236 532599705 /nfs/dbraw/zinc/59/97/05/532599705.db2.gz WXFUCAXOPBITJW-CMPLNLGQSA-N 1 0 390.914 2.291 20 0 GEADRO O=C(c1cc(O)cc(Br)c1)N1CCC[C@H](C[N@H+]2CC[C@@H](O)C2)C1 ZINC000529397747 532600043 /nfs/dbraw/zinc/60/00/43/532600043.db2.gz GXAFBFFZJNVUGY-IUODEOHRSA-N 1 0 383.286 2.074 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000262773363 532600310 /nfs/dbraw/zinc/60/03/10/532600310.db2.gz BNIGEGHSSLUGBH-YRGRVCCFSA-N 1 0 380.286 2.059 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@H]1C ZINC000434707258 532600357 /nfs/dbraw/zinc/60/03/57/532600357.db2.gz QGDKSGJFATXPRN-NEPJUHHUSA-N 1 0 383.290 2.170 20 0 GEADRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000566194987 532600688 /nfs/dbraw/zinc/60/06/88/532600688.db2.gz UATYPQAVEOTPFW-QAPCUYQASA-N 1 0 396.304 2.232 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262785016 532600974 /nfs/dbraw/zinc/60/09/74/532600974.db2.gz PXTPVIOBBOJVAX-XQQFMLRXSA-N 1 0 376.906 2.125 20 0 GEADRO CCOc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1Br ZINC000262782275 532601108 /nfs/dbraw/zinc/60/11/08/532601108.db2.gz ZNOPPNGVEJFXFX-UHFFFAOYSA-N 1 0 379.320 2.453 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c(Br)c1 ZINC000262791567 532601306 /nfs/dbraw/zinc/60/13/06/532601306.db2.gz RXQFHSNBOGTZGT-SNVBAGLBSA-N 1 0 377.304 2.206 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000566237218 532601795 /nfs/dbraw/zinc/60/17/95/532601795.db2.gz MXLRHGKSHSCBAG-RWMBFGLXSA-N 1 0 384.318 2.128 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1nccs1 ZINC000284569812 532602290 /nfs/dbraw/zinc/60/22/90/532602290.db2.gz YSNGXOFKVIMZSU-UHFFFAOYSA-N 1 0 380.901 2.003 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000566243824 532602621 /nfs/dbraw/zinc/60/26/21/532602621.db2.gz CISWDTKCBSRKIM-NSHDSACASA-N 1 0 382.274 2.008 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1Cl ZINC000262803036 532602829 /nfs/dbraw/zinc/60/28/29/532602829.db2.gz VZFIHZAZULBAFJ-BDAKNGLRSA-N 1 0 397.722 2.482 20 0 GEADRO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000434782416 532602937 /nfs/dbraw/zinc/60/29/37/532602937.db2.gz GGTCGSQPMGNTRB-GJZGRUSLSA-N 1 0 392.315 2.006 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c(Br)c1 ZINC000262806367 532602951 /nfs/dbraw/zinc/60/29/51/532602951.db2.gz WYQDPWNHWRVALF-CYBMUJFWSA-N 1 0 377.304 2.254 20 0 GEADRO COC[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000434791221 532603063 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C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC[NH2+]1 ZINC000262861822 532605072 /nfs/dbraw/zinc/60/50/72/532605072.db2.gz LJKOPEUCQYZCHQ-UPJWGTAASA-N 1 0 380.286 2.059 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC[NH2+]1 ZINC000262861819 532605491 /nfs/dbraw/zinc/60/54/91/532605491.db2.gz LJKOPEUCQYZCHQ-AGIUHOORSA-N 1 0 380.286 2.059 20 0 GEADRO C[C@H]1CN(C)CCN1C(=O)c1cc(I)c(F)cc1F ZINC000434994115 532606445 /nfs/dbraw/zinc/60/64/45/532606445.db2.gz HJONNGQHRUSLKU-QMMMGPOBSA-N 1 0 380.176 2.346 20 0 GEADRO CN(CC[NH+](C)C)C(=O)NCCc1ccc(I)cc1 ZINC000596899654 532607395 /nfs/dbraw/zinc/60/73/95/532607395.db2.gz PPPNLHPTAKEGBD-UHFFFAOYSA-N 1 0 375.254 2.037 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000632383210 532608012 /nfs/dbraw/zinc/60/80/12/532608012.db2.gz ZMZYGWQZIOZCBP-UHFFFAOYSA-N 1 0 379.810 2.385 20 0 GEADRO [NH3+]CCC1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000566407961 532608123 /nfs/dbraw/zinc/60/81/23/532608123.db2.gz 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CC(C)[NH2+]CCCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000566849820 532628052 /nfs/dbraw/zinc/62/80/52/532628052.db2.gz MRRAJOBNEXUYEC-NSHDSACASA-N 1 0 378.336 2.135 20 0 GEADRO C[N@H+](CCC(=O)Nc1sccc1C(N)=O)[C@H](CO)c1ccc(Cl)cc1 ZINC000298126134 532628714 /nfs/dbraw/zinc/62/87/14/532628714.db2.gz KQXOOVXIJYUNRN-CQSZACIVSA-N 1 0 381.885 2.494 20 0 GEADRO O=C1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H](C2CC2)N1 ZINC000376771934 532628856 /nfs/dbraw/zinc/62/88/56/532628856.db2.gz JEXHAQBRKWAIAB-BBRMVZONSA-N 1 0 381.270 2.367 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000284883135 532630047 /nfs/dbraw/zinc/63/00/47/532630047.db2.gz VVWABHWONIPLRJ-NWDGAFQWSA-N 1 0 383.290 2.019 20 0 GEADRO COCCC1(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)CCCCC1 ZINC000436232720 532630391 /nfs/dbraw/zinc/63/03/91/532630391.db2.gz QGONFZGUCPQQNE-QGZVFWFLSA-N 1 0 376.563 2.052 20 0 GEADRO CSc1ccc(OCCN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000376798734 532630427 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Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000474990224 532634893 /nfs/dbraw/zinc/63/48/93/532634893.db2.gz YVQNSMBSGDXSJE-UHFFFAOYSA-N 1 0 394.313 2.354 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)NCCC[NH+]1CCCC1 ZINC000656867575 532634865 /nfs/dbraw/zinc/63/48/65/532634865.db2.gz UJCOKCLNRFYERU-UHFFFAOYSA-N 1 0 379.295 2.494 20 0 GEADRO C[C@H](CNS(=O)(=O)Cc1cc(F)ccc1Br)[NH+]1CCCC1 ZINC000656873457 532635969 /nfs/dbraw/zinc/63/59/69/532635969.db2.gz AMWRHGDOIPUSBR-LLVKDONJSA-N 1 0 379.295 2.492 20 0 GEADRO C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632659785 532636062 /nfs/dbraw/zinc/63/60/62/532636062.db2.gz BZNBBCLCANNIKT-KFWWJZLASA-N 1 0 385.496 2.005 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000567047632 532638244 /nfs/dbraw/zinc/63/82/44/532638244.db2.gz OKTOMRONROXQQJ-UHFFFAOYSA-N 1 0 390.709 2.177 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000475179377 532639687 /nfs/dbraw/zinc/63/96/87/532639687.db2.gz AKYUJNZAGHREQZ-GWCFXTLKSA-N 1 0 386.265 2.434 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)C1CCS(=O)(=O)CC1 ZINC000475220939 532640638 /nfs/dbraw/zinc/64/06/38/532640638.db2.gz SGHLHOSZLPYVAN-YPMHNXCESA-N 1 0 379.444 2.058 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]C1CCN(C(=O)c2ccccc2O)CC1 ZINC000436701847 532640631 /nfs/dbraw/zinc/64/06/31/532640631.db2.gz AWIAPSIPKLICFF-UHFFFAOYSA-N 1 0 393.285 2.283 20 0 GEADRO C[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)CC[C@H]1[NH3+] ZINC000567165206 532642588 /nfs/dbraw/zinc/64/25/88/532642588.db2.gz UEMZKTGSVMKBBO-GMSGAONNSA-N 1 0 377.080 2.416 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000532043645 532643131 /nfs/dbraw/zinc/64/31/31/532643131.db2.gz JHUXQZDQTQXYFK-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO Brc1ccc(-n2cc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)cn2)cc1 ZINC000567159414 532643244 /nfs/dbraw/zinc/64/32/44/532643244.db2.gz YJCGNPCVADEITR-ROUUACIJSA-N 1 0 391.313 2.491 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000567186858 532643858 /nfs/dbraw/zinc/64/38/58/532643858.db2.gz IQUZJSRIJJTAKR-ZDUSSCGKSA-N 1 0 384.318 2.474 20 0 GEADRO C[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000377120040 532644439 /nfs/dbraw/zinc/64/44/39/532644439.db2.gz LWFUQEXDAISGSU-HNHYXYPQSA-N 1 0 393.336 2.165 20 0 GEADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000656914657 532645082 /nfs/dbraw/zinc/64/50/82/532645082.db2.gz VGATXPSHDGAHAS-UHFFFAOYSA-N 1 0 378.897 2.088 20 0 GEADRO C[C@H](C(=O)NCC(F)(F)F)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298365536 532645167 /nfs/dbraw/zinc/64/51/67/532645167.db2.gz NIEZFSDPZWLSSS-SKDRFNHKSA-N 1 0 383.208 2.481 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ncccc2Br)C[C@@H]1C ZINC000656912819 532645582 /nfs/dbraw/zinc/64/55/82/532645582.db2.gz AOSJBOZSLYSXKB-NWDGAFQWSA-N 1 0 376.320 2.337 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000474586256 532622474 /nfs/dbraw/zinc/62/24/74/532622474.db2.gz UUZVUZLEJZFGKX-INIZCTEOSA-N 1 0 381.929 2.408 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000633040187 532659967 /nfs/dbraw/zinc/65/99/67/532659967.db2.gz OBOZGAFMZSSZQX-IONNQARKSA-N 1 0 394.191 2.355 20 0 GEADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000567764212 532661458 /nfs/dbraw/zinc/66/14/58/532661458.db2.gz PYHMIFQLAQBTKU-LBPRGKRZSA-N 1 0 385.306 2.265 20 0 GEADRO O=C(CNS(=O)(=O)c1cccs1)NCCCCCCC[NH+]1CCCC1 ZINC000264110099 532661754 /nfs/dbraw/zinc/66/17/54/532661754.db2.gz BMCUWAWBRGVBNL-UHFFFAOYSA-N 1 0 387.571 2.189 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000298604246 532662236 /nfs/dbraw/zinc/66/22/36/532662236.db2.gz QQUXBEVYVSNKPL-UHFFFAOYSA-N 1 0 388.331 2.022 20 0 GEADRO C[C@H]([NH2+]C(C)(C)CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000264159885 532663542 /nfs/dbraw/zinc/66/35/42/532663542.db2.gz MDAARTPNGYQTFB-HOCLYGCPSA-N 1 0 384.567 2.152 20 0 GEADRO CN(C(=O)c1ccc(Br)cn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377638131 532665853 /nfs/dbraw/zinc/66/58/53/532665853.db2.gz ATWFDGITOJXOKS-OAHLLOKOSA-N 1 0 381.318 2.085 20 0 GEADRO CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000481154489 532666529 /nfs/dbraw/zinc/66/65/29/532666529.db2.gz LYMOCXXLLQFGFE-CXAGYDPISA-N 1 0 399.329 2.425 20 0 GEADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cn1cc(Br)cn1 ZINC000298664505 532667201 /nfs/dbraw/zinc/66/72/01/532667201.db2.gz CDKWMVKQXSIFQL-UHFFFAOYSA-N 1 0 392.301 2.345 20 0 GEADRO COC1CCN(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000656920366 532646736 /nfs/dbraw/zinc/64/67/36/532646736.db2.gz WFQYUGSJFKGXCG-RHSMWYFYSA-N 1 0 387.571 2.076 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000477140238 532647438 /nfs/dbraw/zinc/64/74/38/532647438.db2.gz CUHAOBCVOZXHGQ-GJZGRUSLSA-N 1 0 376.494 2.474 20 0 GEADRO CCN(CC)c1ncc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)s1 ZINC000567268626 532648331 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[NH3+]CCCNC(=O)C(=O)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000632998708 532654600 /nfs/dbraw/zinc/65/46/00/532654600.db2.gz HYSALUDJIWJPAJ-ZJUUUORDSA-N 1 0 378.420 2.383 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1Br ZINC000633001678 532655788 /nfs/dbraw/zinc/65/57/88/532655788.db2.gz JVIGIUYEIQBCIH-RISCZKNCSA-N 1 0 398.301 2.371 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c(OC(C)C)c1 ZINC000633001535 532655839 /nfs/dbraw/zinc/65/58/39/532655839.db2.gz CVMNZYWWXNARER-UHFFFAOYSA-N 1 0 386.290 2.291 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc([S@@](C)=O)cc1 ZINC000477944174 532656239 /nfs/dbraw/zinc/65/62/39/532656239.db2.gz GMXAKDHGTRPFOX-LFPIHBKWSA-N 1 0 381.519 2.041 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1Br ZINC000633009997 532656484 /nfs/dbraw/zinc/65/64/84/532656484.db2.gz FGEXZJBUVBQHDC-DGCLKSJQSA-N 1 0 398.301 2.432 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N(C)CC2CC[NH+](C)CC2)C(F)(F)F)n1 ZINC000264022380 532656560 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GEADRO CC(C)Oc1cc(NC(=O)C(=O)NCCC[NH2+]C2CC2)ccc1Br ZINC000633009210 532657241 /nfs/dbraw/zinc/65/72/41/532657241.db2.gz QRQFJVOUIGIGKW-UHFFFAOYSA-N 1 0 398.301 2.433 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000633006471 532657312 /nfs/dbraw/zinc/65/73/12/532657312.db2.gz RGVSSHNPYDIYJI-NWDGAFQWSA-N 1 0 398.301 2.371 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NC[C@@H]3CC[N@@H+](C(C)(C)C)C3)cnc2c1Cl ZINC000657035567 532658069 /nfs/dbraw/zinc/65/80/69/532658069.db2.gz ZECWCWJWEYFYEQ-LBPRGKRZSA-N 1 0 385.921 2.090 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)C[C@H]1[NH+](C)C ZINC000478527659 532658333 /nfs/dbraw/zinc/65/83/33/532658333.db2.gz GYAFQINSTUCSNP-APHBMKBZSA-N 1 0 381.929 2.197 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000633023799 532658449 /nfs/dbraw/zinc/65/84/49/532658449.db2.gz ORWLXOXRHRVYGK-VXGBXAGGSA-N 1 0 398.301 2.228 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000633040381 532659738 /nfs/dbraw/zinc/65/97/38/532659738.db2.gz IIOTUCZABSUKKH-OIBJUYFYSA-N 1 0 394.191 2.355 20 0 GEADRO Cc1sc(Br)nc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000298886544 532683703 /nfs/dbraw/zinc/68/37/03/532683703.db2.gz IHWJXABWRVDXAM-LLVKDONJSA-N 1 0 376.320 2.181 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@@H](C)S1 ZINC000568691406 532684393 /nfs/dbraw/zinc/68/43/93/532684393.db2.gz ZTXPALQCVZYDCE-XJKCOSOUSA-N 1 0 383.945 2.411 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2nc(C)c(C(F)(F)F)s2)C1 ZINC000568697107 532684547 /nfs/dbraw/zinc/68/45/47/532684547.db2.gz ZNZCIGUZEOARNB-SNVBAGLBSA-N 1 0 378.420 2.257 20 0 GEADRO COc1cc(F)c(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000638219529 532685488 /nfs/dbraw/zinc/68/54/88/532685488.db2.gz KTGGRIPRGFHIPM-LBPRGKRZSA-N 1 0 383.773 2.054 20 0 GEADRO Cc1cccc(NC2CCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)n1 ZINC000378248532 532686524 /nfs/dbraw/zinc/68/65/24/532686524.db2.gz DTXYLSXODDUUJY-UHFFFAOYSA-N 1 0 381.889 2.286 20 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C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCc3cc(Br)ccc32)n1 ZINC000438706052 532675520 /nfs/dbraw/zinc/67/55/20/532675520.db2.gz OJVBHJODGUNHBC-OAHLLOKOSA-N 1 0 392.301 3.016 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000636468827 532675609 /nfs/dbraw/zinc/67/56/09/532675609.db2.gz TTXBGHDUCURARM-HNNXBMFYSA-N 1 0 390.311 2.469 20 0 GEADRO O=C(CN[C@@H](CO)c1c(Cl)cccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000483247463 532675696 /nfs/dbraw/zinc/67/56/96/532675696.db2.gz BGFFWKWMJWKBSN-INIZCTEOSA-N 1 0 386.323 2.359 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000483275130 532676118 /nfs/dbraw/zinc/67/61/18/532676118.db2.gz CETUOWMVUYYMFI-NWDGAFQWSA-N 1 0 388.281 2.185 20 0 GEADRO COC(=O)CSCCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000264466619 532676288 /nfs/dbraw/zinc/67/62/88/532676288.db2.gz UIBQCZAVXICVNO-UHFFFAOYSA-N 1 0 385.917 2.327 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000264472110 532676783 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Cn1c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)nc2cc(Cl)ccc21 ZINC000285443789 532680559 /nfs/dbraw/zinc/68/05/59/532680559.db2.gz INBSKPFNKGYWCD-OCCSQVGLSA-N 1 0 384.933 2.424 20 0 GEADRO O=C(CCC1C[NH2+]C1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000638074233 532680572 /nfs/dbraw/zinc/68/05/72/532680572.db2.gz VDYHKDBRGILDNC-ZDUSSCGKSA-N 1 0 395.301 2.021 20 0 GEADRO Cn1c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)nc2cc(Cl)ccc21 ZINC000285443788 532680618 /nfs/dbraw/zinc/68/06/18/532680618.db2.gz INBSKPFNKGYWCD-JSGCOSHPSA-N 1 0 384.933 2.424 20 0 GEADRO COc1ncc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000638785832 532686855 /nfs/dbraw/zinc/68/68/55/532686855.db2.gz NMFKIGRMGPALAD-CQSZACIVSA-N 1 0 398.301 2.083 20 0 GEADRO C[C@@H]1CCN(Cc2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000638137098 532681196 /nfs/dbraw/zinc/68/11/96/532681196.db2.gz RHVQRHHIKSOXGO-OAHLLOKOSA-N 1 0 379.551 2.492 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000568582580 532681375 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CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000299254738 532704580 /nfs/dbraw/zinc/70/45/80/532704580.db2.gz UOEXOCLJDSSDKE-AWEZNQCLSA-N 1 0 387.571 2.239 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1sccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000285765699 532704997 /nfs/dbraw/zinc/70/49/97/532704997.db2.gz MUWNMTJVPFUHAH-GFCCVEGCSA-N 1 0 378.947 2.373 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](CCCO)C1CC1 ZINC000607152940 532705292 /nfs/dbraw/zinc/70/52/92/532705292.db2.gz FVIQMBCMXPJYFA-UHFFFAOYSA-N 1 0 385.302 2.133 20 0 GEADRO CC(C)C(=O)NCCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000569715228 532705480 /nfs/dbraw/zinc/70/54/80/532705480.db2.gz DNVIMWBFWPLAJB-AWEZNQCLSA-N 1 0 391.281 2.080 20 0 GEADRO C[C@@H](NC(=O)C[NH+]1CCC(OCCO)CC1)c1ccc(Br)cc1 ZINC000391243424 532705941 /nfs/dbraw/zinc/70/59/41/532705941.db2.gz JTEWLCOYMHZKSH-CYBMUJFWSA-N 1 0 385.302 2.100 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)C1 ZINC000666923685 532706970 /nfs/dbraw/zinc/70/69/70/532706970.db2.gz 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C[C@@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cc2n(n1)CCC2 ZINC000577044007 532730283 /nfs/dbraw/zinc/73/02/83/532730283.db2.gz YFXUNJVJPGFRRA-ZIAGYGMSSA-N 1 0 380.539 2.252 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)c(F)cc1Br ZINC000500011256 532731098 /nfs/dbraw/zinc/73/10/98/532731098.db2.gz TYEZXTJEQKZMIM-UHFFFAOYSA-N 1 0 386.265 2.389 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000442577486 532731495 /nfs/dbraw/zinc/73/14/95/532731495.db2.gz RPAIJHSCGBEDKO-LBPRGKRZSA-N 1 0 386.265 2.469 20 0 GEADRO CS[C@@H]1CN(CC(=O)Nc2nnc(-c3sccc3C)o2)C[C@H]1[NH+](C)C ZINC000539492240 532731953 /nfs/dbraw/zinc/73/19/53/532731953.db2.gz MFKSQZRAFHNSFC-VXGBXAGGSA-N 1 0 381.527 2.022 20 0 GEADRO CN(C)CC[N@H+](C)CCCNc1ncnc2cc(F)c(Br)cc21 ZINC000575211103 532718484 /nfs/dbraw/zinc/71/84/84/532718484.db2.gz CDDGNIGQOIRFPK-UHFFFAOYSA-N 1 0 384.297 2.827 20 0 GEADRO C[C@@H](CNC(=O)CCn1cc(Br)ccc1=O)[N@@H+]1CCCC[C@H]1C ZINC000495325066 532719670 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CS[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C)C[C@H]1[NH+](C)C ZINC000503248897 532745080 /nfs/dbraw/zinc/74/50/80/532745080.db2.gz XBNKPWLGEYCMME-CHWSQXEVSA-N 1 0 393.372 2.424 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000503232358 532745098 /nfs/dbraw/zinc/74/50/98/532745098.db2.gz AXLWRCDHBOKFTP-UONOGXRCSA-N 1 0 393.372 2.256 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Br)C[C@@H]1[NH+](C)C ZINC000503238568 532745208 /nfs/dbraw/zinc/74/52/08/532745208.db2.gz UNGQCCUHEQGIQY-NWDGAFQWSA-N 1 0 397.335 2.254 20 0 GEADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc(Br)s2)C1 ZINC000443332276 532745423 /nfs/dbraw/zinc/74/54/23/532745423.db2.gz NGAVSIJCZQUMHC-PWSUYJOCSA-N 1 0 388.331 2.288 20 0 GEADRO CC[C@@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)C(=O)N1CCOCC1 ZINC000267591630 532746602 /nfs/dbraw/zinc/74/66/02/532746602.db2.gz AOXCLXVUWDMOML-MRXNPFEDSA-N 1 0 395.297 2.452 20 0 GEADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccc(OCC(F)(F)F)nc1 ZINC000540888321 532746867 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CC[N@@H+]1CCCN(S(=O)(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000410127478 532734736 /nfs/dbraw/zinc/73/47/36/532734736.db2.gz ABFMCBQLIFHYST-UHFFFAOYSA-N 1 0 391.331 2.315 20 0 GEADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000577110447 532734851 /nfs/dbraw/zinc/73/48/51/532734851.db2.gz HLSQDNHLFQWBRB-OAHLLOKOSA-N 1 0 379.507 2.044 20 0 GEADRO COc1cc(C)nc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000577140466 532735109 /nfs/dbraw/zinc/73/51/09/532735109.db2.gz HQIXZPCZNQRBQK-CQSZACIVSA-N 1 0 381.523 2.403 20 0 GEADRO CN1CCC[C@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)[C@@H]1c1cccs1 ZINC000674031489 532735293 /nfs/dbraw/zinc/73/52/93/532735293.db2.gz BOCIUWZBBKEADJ-UKRRQHHQSA-N 1 0 387.571 2.253 20 0 GEADRO CC(C)(CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)S(C)(=O)=O ZINC000674028673 532735509 /nfs/dbraw/zinc/73/55/09/532735509.db2.gz GPUJVCBVTZMEFK-AWEZNQCLSA-N 1 0 387.571 2.083 20 0 GEADRO CC(C)[C@@H](CNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000500752441 532735863 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COc1cccc([C@@H](CNC(=O)CCn2cc(Br)cn2)[NH+](C)C)c1 ZINC000614524597 532738216 /nfs/dbraw/zinc/73/82/16/532738216.db2.gz YXRXVCZQEJPYPA-MRXNPFEDSA-N 1 0 395.301 2.463 20 0 GEADRO O=C(CCn1cc(Br)cn1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614525616 532738408 /nfs/dbraw/zinc/73/84/08/532738408.db2.gz HJTMSGNUQOJZMZ-INIZCTEOSA-N 1 0 377.286 2.426 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2ccc3ncc(I)n3c2)CC1 ZINC000267194534 532738461 /nfs/dbraw/zinc/73/84/61/532738461.db2.gz MAQNLHLAWVISAU-UHFFFAOYSA-N 1 0 398.248 2.153 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(I)ccc1O ZINC000300403576 532738542 /nfs/dbraw/zinc/73/85/42/532738542.db2.gz OSNCQBFSGMFTNR-RYUDHWBXSA-N 1 0 386.233 2.353 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 ZINC000300475648 532739115 /nfs/dbraw/zinc/73/91/15/532739115.db2.gz VRULKRXTOYBIDZ-PRHODGIISA-N 1 0 392.091 2.400 20 0 GEADRO CCC(=O)Nc1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)cc1 ZINC000578701492 532739192 /nfs/dbraw/zinc/73/91/92/532739192.db2.gz KOONXSGLWYJJMB-UHFFFAOYSA-N 1 0 385.555 2.141 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C1CC[NH+](CCO)CC1 ZINC000501203147 532739432 /nfs/dbraw/zinc/73/94/32/532739432.db2.gz KPSNZLYZWMWNLX-MRXNPFEDSA-N 1 0 385.302 2.052 20 0 GEADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ncncc2Br)CC1 ZINC000675794666 532740290 /nfs/dbraw/zinc/74/02/90/532740290.db2.gz FVWWCLVOXBKEOL-UHFFFAOYSA-N 1 0 384.322 2.278 20 0 GEADRO COc1cc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)ccc1S(C)(=O)=O ZINC000675792765 532740646 /nfs/dbraw/zinc/74/06/46/532740646.db2.gz UGAUJQLGLRQFSG-LBPRGKRZSA-N 1 0 376.469 2.479 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000540514062 532740744 /nfs/dbraw/zinc/74/07/44/532740744.db2.gz RMMNAULUEQYJJQ-STQMWFEESA-N 1 0 387.933 2.085 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000410470788 532741316 /nfs/dbraw/zinc/74/13/16/532741316.db2.gz FFDNNJPVLOTLES-LLVKDONJSA-N 1 0 388.331 2.022 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000301154643 532741679 /nfs/dbraw/zinc/74/16/79/532741679.db2.gz QZBFUXFGGVWKFE-UHFFFAOYSA-N 1 0 377.286 2.208 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000286583667 532756498 /nfs/dbraw/zinc/75/64/98/532756498.db2.gz VFBQLUDDEPCVDJ-SLEUVZQESA-N 1 0 394.313 2.368 20 0 GEADRO C[C@H]1CN(C(=O)c2ncsc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000581507980 532756975 /nfs/dbraw/zinc/75/69/75/532756975.db2.gz UJXUOAVKRGEZCE-NWDGAFQWSA-N 1 0 387.347 2.004 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000268171951 532757005 /nfs/dbraw/zinc/75/70/05/532757005.db2.gz JYYFJGIJWJVDAF-WCQYABFASA-N 1 0 377.539 2.284 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000507689079 532757730 /nfs/dbraw/zinc/75/77/30/532757730.db2.gz UAXQSQMIQSAVAG-UHFFFAOYSA-N 1 0 398.345 2.444 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000581872283 532757792 /nfs/dbraw/zinc/75/77/92/532757792.db2.gz MDCDYGYJJPSFLP-UHFFFAOYSA-N 1 0 392.656 2.296 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)CCCN(C[C@@H](O)COCc1ccc(Cl)cc1)C2 ZINC000581925582 532758724 /nfs/dbraw/zinc/75/87/24/532758724.db2.gz BZBXVDWKVMIUDS-MSOLQXFVSA-N 1 0 387.929 2.118 20 0 GEADRO O=S1(=O)CC[C@]2(C1)CCCN(C[C@@H](O)COCc1ccc(Cl)cc1)C2 ZINC000581925583 532758757 /nfs/dbraw/zinc/75/87/57/532758757.db2.gz BZBXVDWKVMIUDS-QZTJIDSGSA-N 1 0 387.929 2.118 20 0 GEADRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3ncc(Br)cn3)C2)CC1 ZINC000450776380 532759529 /nfs/dbraw/zinc/75/95/29/532759529.db2.gz QUASBIIGWAJAGT-OAHLLOKOSA-N 1 0 396.333 2.010 20 0 GEADRO C[C@@](CO)([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1cccc(O)c1 ZINC000451035942 532761253 /nfs/dbraw/zinc/76/12/53/532761253.db2.gz GWHLFTRUIVXUEP-WMZOPIPTSA-N 1 0 396.281 2.392 20 0 GEADRO O=C(c1ncsc1Br)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000582794469 532761666 /nfs/dbraw/zinc/76/16/66/532761666.db2.gz KSBKUXWCFWZZBV-UHFFFAOYSA-N 1 0 388.331 2.480 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCCn2cc(Br)cn2)[C@H]1c1ccccc1 ZINC000286682795 532762161 /nfs/dbraw/zinc/76/21/61/532762161.db2.gz KGHKFTRFXCXKHX-JKSUJKDBSA-N 1 0 392.301 2.390 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCCn1cc(Br)cn1)c1ccsc1 ZINC000286695996 532762789 /nfs/dbraw/zinc/76/27/89/532762789.db2.gz TVJCNFIZNSUDKJ-CYBMUJFWSA-N 1 0 386.319 2.309 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ncc(C)s3)CC2)cc1 ZINC000540911646 532748175 /nfs/dbraw/zinc/74/81/75/532748175.db2.gz YJSAXCTYUJFOFN-UHFFFAOYSA-N 1 0 381.523 2.403 20 0 GEADRO C[C@H]1CCNC(=O)[C@H]1NCc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000580517361 532749190 /nfs/dbraw/zinc/74/91/90/532749190.db2.gz DOOGYUSHZDVQDD-ZANVPECISA-N 1 0 379.873 2.058 20 0 GEADRO C[C@@H]1CCNC(=O)[C@H]1NCc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000580517359 532749418 /nfs/dbraw/zinc/74/94/18/532749418.db2.gz DOOGYUSHZDVQDD-RNCFNFMXSA-N 1 0 379.873 2.058 20 0 GEADRO CSC1(CNC(=O)NCc2ccc(C[S@@](C)=O)cc2)CC[NH+](C)CC1 ZINC000580505450 532749485 /nfs/dbraw/zinc/74/94/85/532749485.db2.gz UIPNXXUENXGEAD-RUZDIDTESA-N 1 0 383.583 2.192 20 0 GEADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ncc(Br)cn1 ZINC000301351917 532749659 /nfs/dbraw/zinc/74/96/59/532749659.db2.gz JFDGUAZESYTOSD-UHFFFAOYSA-N 1 0 376.302 2.498 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000267844613 532751632 /nfs/dbraw/zinc/75/16/32/532751632.db2.gz VLGKTZNRMSOZJO-GFCCVEGCSA-N 1 0 380.286 2.378 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000286506407 532752030 /nfs/dbraw/zinc/75/20/30/532752030.db2.gz NYCQKJDHCAHELW-BLLLJJGKSA-N 1 0 386.323 2.451 20 0 GEADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000541384619 532752779 /nfs/dbraw/zinc/75/27/79/532752779.db2.gz KGNORZOFYWXFTB-UHFFFAOYSA-N 1 0 387.933 2.181 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CCSC1 ZINC000411282105 532753698 /nfs/dbraw/zinc/75/36/98/532753698.db2.gz WXIMLXGWNBKIPB-IAQYHMDHSA-N 1 0 383.480 2.023 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000542597488 532775089 /nfs/dbraw/zinc/77/50/89/532775089.db2.gz QRLRYIUKCFCHLC-UHFFFAOYSA-N 1 0 377.819 2.031 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CS1 ZINC000411779900 532775295 /nfs/dbraw/zinc/77/52/95/532775295.db2.gz DNMXRFLCZKUNAW-DGCLKSJQSA-N 1 0 385.917 2.229 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000411794827 532775637 /nfs/dbraw/zinc/77/56/37/532775637.db2.gz DHACFCKPNVTHPQ-SFHVURJKSA-N 1 0 388.339 2.391 20 0 GEADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N1CCCSCC1 ZINC000286955848 532776877 /nfs/dbraw/zinc/77/68/77/532776877.db2.gz FZQGATFBQQYBTD-UHFFFAOYSA-N 1 0 381.567 2.042 20 0 GEADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1cc(Br)ccc1Br ZINC000310125104 532777151 /nfs/dbraw/zinc/77/71/51/532777151.db2.gz IXXBHUQEWZOOPQ-ZETCQYMHSA-N 1 0 386.109 2.227 20 0 GEADRO CNC(=O)c1cccc(CC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000542723494 532777496 /nfs/dbraw/zinc/77/74/96/532777496.db2.gz PAIDUHBIRYGHBP-UHFFFAOYSA-N 1 0 380.897 2.435 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000269275276 532777927 /nfs/dbraw/zinc/77/79/27/532777927.db2.gz OGQHMYACJBHCLZ-AWEZNQCLSA-N 1 0 375.922 2.130 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c(Br)c1 ZINC000269260292 532778093 /nfs/dbraw/zinc/77/80/93/532778093.db2.gz HTZIRGOAEBFERA-CYBMUJFWSA-N 1 0 382.302 2.415 20 0 GEADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000542746745 532778123 /nfs/dbraw/zinc/77/81/23/532778123.db2.gz VIWWRIRIYOKINO-UHFFFAOYSA-N 1 0 391.331 2.394 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000312282507 532778514 /nfs/dbraw/zinc/77/85/14/532778514.db2.gz YTTLWROBILWBAC-UHFFFAOYSA-N 1 0 379.295 2.492 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(Br)c1 ZINC000269260294 532778595 /nfs/dbraw/zinc/77/85/95/532778595.db2.gz HTZIRGOAEBFERA-ZDUSSCGKSA-N 1 0 382.302 2.415 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000512898436 532778668 /nfs/dbraw/zinc/77/86/68/532778668.db2.gz CHUPQJNXNQMBEI-SMDDNHRTSA-N 1 0 376.320 2.042 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000512893200 532779009 /nfs/dbraw/zinc/77/90/09/532779009.db2.gz BFABFONGSMIJEF-GDBMZVCRSA-N 1 0 380.539 2.403 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000542758080 532779044 /nfs/dbraw/zinc/77/90/44/532779044.db2.gz PUPKNESCOJEJRP-UHFFFAOYSA-N 1 0 383.539 2.447 20 0 GEADRO C[NH+](C)CC1(NC(=O)COc2ccc(I)cc2)CCC1 ZINC000508644249 532763542 /nfs/dbraw/zinc/76/35/42/532763542.db2.gz BPRDLCDIHZHNJH-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO CC(C)(Cc1ccc(Br)cc1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000583084810 532763987 /nfs/dbraw/zinc/76/39/87/532763987.db2.gz CAQWLRLMEAIXAT-HNNXBMFYSA-N 1 0 396.329 2.145 20 0 GEADRO NC(=O)C[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000411514753 532764833 /nfs/dbraw/zinc/76/48/33/532764833.db2.gz GRDRTHUAIAZRDV-OAHLLOKOSA-N 1 0 398.301 2.038 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)COc2ccc(Br)cc2)CCO1 ZINC000620964151 532764797 /nfs/dbraw/zinc/76/47/97/532764797.db2.gz VNUODIMUHAYOMK-INIZCTEOSA-N 1 0 385.302 2.397 20 0 GEADRO Cc1nc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(Br)s1 ZINC000620978078 532765309 /nfs/dbraw/zinc/76/53/09/532765309.db2.gz CQRVFCNVDMGCOB-LLVKDONJSA-N 1 0 376.320 2.397 20 0 GEADRO Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1Br ZINC000583747535 532766688 /nfs/dbraw/zinc/76/66/88/532766688.db2.gz CJXDWCICTZKPQN-AWEZNQCLSA-N 1 0 382.302 2.217 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ncc(Br)cc1Br ZINC000584226528 532767283 /nfs/dbraw/zinc/76/72/83/532767283.db2.gz QZNAXYUCXUKGFH-YUMQZZPRSA-N 1 0 377.080 2.416 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)[C@H](C)C1 ZINC000411572527 532767892 /nfs/dbraw/zinc/76/78/92/532767892.db2.gz RBZGIVAYVVLMPD-CHWSQXEVSA-N 1 0 380.539 2.197 20 0 GEADRO Cc1cc(N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c2cc(F)ccc2[nH+]1 ZINC000584236643 532767969 /nfs/dbraw/zinc/76/79/69/532767969.db2.gz QLXSNGQNPRKOGZ-CQSZACIVSA-N 1 0 379.379 2.338 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)nc12 ZINC000542767965 532779680 /nfs/dbraw/zinc/77/96/80/532779680.db2.gz GWPLGYDCHSBQNY-CYBMUJFWSA-N 1 0 392.301 2.441 20 0 GEADRO CCn1nc(C)c(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1C ZINC000509400087 532768720 /nfs/dbraw/zinc/76/87/20/532768720.db2.gz CZINWKOTIYOYEF-UHFFFAOYSA-N 1 0 388.896 2.380 20 0 GEADRO C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)CS2 ZINC000584524488 532769021 /nfs/dbraw/zinc/76/90/21/532769021.db2.gz IIQBJLSZOBDVEO-MPGHIAIKSA-N 1 0 379.913 2.267 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccc(I)cc1 ZINC000509461051 532771154 /nfs/dbraw/zinc/77/11/54/532771154.db2.gz CBVWOPAKRMWXFF-NWDGAFQWSA-N 1 0 387.265 2.254 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000509462287 532771295 /nfs/dbraw/zinc/77/12/95/532771295.db2.gz HHSKQVFLDWSREC-SNVBAGLBSA-N 1 0 395.308 2.352 20 0 GEADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCCOCC[NH+](C)C ZINC000542457971 532772688 /nfs/dbraw/zinc/77/26/88/532772688.db2.gz WAYQIBVTBILMNS-UHFFFAOYSA-N 1 0 382.302 2.476 20 0 GEADRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1I ZINC000268835682 532772746 /nfs/dbraw/zinc/77/27/46/532772746.db2.gz SDXGZGUCKILUBU-LLVKDONJSA-N 1 0 388.249 2.224 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CCC(F)(F)F)c1 ZINC000542472523 532773810 /nfs/dbraw/zinc/77/38/10/532773810.db2.gz SOKLDBWGLQTDFB-QWRGUYRKSA-N 1 0 381.420 2.242 20 0 GEADRO NC(=O)[C@@H]1C[N@H+](CC(=O)NCc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000411966182 532782219 /nfs/dbraw/zinc/78/22/19/532782219.db2.gz BLPQSGZLONGPKX-LSDHHAIUSA-N 1 0 377.897 2.219 20 0 GEADRO COc1ccc(C[C@H](CO)CNC(=O)C[N@H+](C)C(C)C)cc1Br ZINC000456491206 532782258 /nfs/dbraw/zinc/78/22/58/532782258.db2.gz LLTVWLZXSZNZNC-AWEZNQCLSA-N 1 0 387.318 2.065 20 0 GEADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)Nc1ccc(Br)cc1Cl ZINC000411983811 532782261 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Cc1cc(Br)cn2cc(CNC(=O)C[N@@H+](C)[C@H]3CCSC3)nc12 ZINC000546819762 532786162 /nfs/dbraw/zinc/78/61/62/532786162.db2.gz AJMMOSGWHKTYAJ-AWEZNQCLSA-N 1 0 397.342 2.459 20 0 GEADRO Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)c1Cl ZINC000320730487 532787173 /nfs/dbraw/zinc/78/71/73/532787173.db2.gz NMIUXPIKAPGURF-UHFFFAOYSA-N 1 0 380.341 2.136 20 0 GEADRO O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C(=O)N1CCC[NH2+]CC1 ZINC000321152677 532787209 /nfs/dbraw/zinc/78/72/09/532787209.db2.gz GFYSMAFWRNLYCH-UHFFFAOYSA-N 1 0 394.191 2.228 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccsc2Br)C1 ZINC000287298849 532790586 /nfs/dbraw/zinc/79/05/86/532790586.db2.gz VCAUPUWOWBVIQF-VXGBXAGGSA-N 1 0 388.331 2.116 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000457920487 532791536 /nfs/dbraw/zinc/79/15/36/532791536.db2.gz FIAKCMRQWPISTE-AWEZNQCLSA-N 1 0 387.933 2.145 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000269879788 532791966 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GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331667363 532842427 /nfs/dbraw/zinc/84/24/27/532842427.db2.gz YKSJIARIVPEWIR-MRXNPFEDSA-N 1 0 384.249 2.129 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2[nH]nc3ccc(Br)cc32)CCSC1 ZINC000331672628 532842485 /nfs/dbraw/zinc/84/24/85/532842485.db2.gz QQMJKCHJMJALEQ-HNNXBMFYSA-N 1 0 383.315 2.493 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000415353372 532842608 /nfs/dbraw/zinc/84/26/08/532842608.db2.gz LQKJTLWOYWXXPX-VHSXEESVSA-N 1 0 375.803 2.384 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000288967512 532843287 /nfs/dbraw/zinc/84/32/87/532843287.db2.gz CGRMLLQHEYQMKI-YPMHNXCESA-N 1 0 383.290 2.238 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2Cl)C1 ZINC000415385715 532843303 /nfs/dbraw/zinc/84/33/03/532843303.db2.gz AFQOSOQAUHVUKW-JTQLQIEISA-N 1 0 388.693 2.417 20 0 GEADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415384262 532843369 /nfs/dbraw/zinc/84/33/69/532843369.db2.gz SPQIQVNXYQUAFW-UHFFFAOYSA-N 1 0 382.180 2.260 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415382346 532843611 /nfs/dbraw/zinc/84/36/11/532843611.db2.gz RZWANTHEVLCOPS-LLVKDONJSA-N 1 0 376.254 2.409 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000415396980 532844160 /nfs/dbraw/zinc/84/41/60/532844160.db2.gz VEMVZQCLESIDKN-VIFPVBQESA-N 1 0 390.228 2.266 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000415401443 532844417 /nfs/dbraw/zinc/84/44/17/532844417.db2.gz HEBUQWVBZDBBLF-JTQLQIEISA-N 1 0 375.803 2.386 20 0 GEADRO O=C(Nc1ccccc1Br)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331768728 532844636 /nfs/dbraw/zinc/84/46/36/532844636.db2.gz DKOQDUKRBGTZSI-CYBMUJFWSA-N 1 0 395.301 2.125 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1Br ZINC000415426752 532844731 /nfs/dbraw/zinc/84/47/31/532844731.db2.gz AVVDUHQGSMXNBG-WDEREUQCSA-N 1 0 386.265 2.421 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000415431598 532844854 /nfs/dbraw/zinc/84/48/54/532844854.db2.gz SOAOVONRRBMVHD-NSHDSACASA-N 1 0 386.290 2.194 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[C@@H]1[NH3+] ZINC000415432471 532845249 /nfs/dbraw/zinc/84/52/49/532845249.db2.gz HECGOXKRIBRZKE-SCZZXKLOSA-N 1 0 379.766 2.373 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415431956 532845340 /nfs/dbraw/zinc/84/53/40/532845340.db2.gz FHVLGADLYHDAHN-GFCCVEGCSA-N 1 0 386.290 2.274 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415439872 532845439 /nfs/dbraw/zinc/84/54/39/532845439.db2.gz NOKMUBJSNJQQLZ-LLVKDONJSA-N 1 0 381.782 2.319 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415447364 532845919 /nfs/dbraw/zinc/84/59/19/532845919.db2.gz QDRVOCVGBIDGNZ-VXGBXAGGSA-N 1 0 398.301 2.372 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415451161 532845955 /nfs/dbraw/zinc/84/59/55/532845955.db2.gz MSZHDKRIHFDVJP-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415448458 532845965 /nfs/dbraw/zinc/84/59/65/532845965.db2.gz QNQNXLMUAAXINB-ZYHUDNBSSA-N 1 0 395.301 2.246 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC[C@H]1[NH3+] ZINC000415450794 532846089 /nfs/dbraw/zinc/84/60/89/532846089.db2.gz KIBPCNUDJPZBLO-MWLCHTKSSA-N 1 0 375.416 2.317 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415448453 532846094 /nfs/dbraw/zinc/84/60/94/532846094.db2.gz QNQNXLMUAAXINB-JQWIXIFHSA-N 1 0 395.301 2.246 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415478197 532846846 /nfs/dbraw/zinc/84/68/46/532846846.db2.gz FZRDGCHXKLAESV-LBPRGKRZSA-N 1 0 379.262 2.246 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415494987 532847354 /nfs/dbraw/zinc/84/73/54/532847354.db2.gz FNSUGCIUBBNJMM-NSHDSACASA-N 1 0 392.244 2.498 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415489520 532847410 /nfs/dbraw/zinc/84/74/10/532847410.db2.gz AYHZNBZVCFPFFS-VIFPVBQESA-N 1 0 378.217 2.300 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415489942 532847419 /nfs/dbraw/zinc/84/74/19/532847419.db2.gz VASMUHNWLJLVEH-MNOVXSKESA-N 1 0 379.262 2.231 20 0 GEADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)N[C@H]1CCC[NH2+]C1 ZINC000415502819 532847719 /nfs/dbraw/zinc/84/77/19/532847719.db2.gz QQQIFEKIWPTNDV-NSHDSACASA-N 1 0 382.287 2.841 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000415500817 532847750 /nfs/dbraw/zinc/84/77/50/532847750.db2.gz LMFYJPNDTVFWHX-AWEZNQCLSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@@H]([NH3+])CCNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415495915 532847885 /nfs/dbraw/zinc/84/78/85/532847885.db2.gz GHYXOXXJFODNSE-SSDOTTSWSA-N 1 0 388.266 2.966 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415500209 532848023 /nfs/dbraw/zinc/84/80/23/532848023.db2.gz PVWCRAMAAAYKCK-NSHDSACASA-N 1 0 383.290 2.294 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415507098 532848248 /nfs/dbraw/zinc/84/82/48/532848248.db2.gz UUBUDYRMEGNFLY-SSDOTTSWSA-N 1 0 388.266 2.823 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415514242 532848270 /nfs/dbraw/zinc/84/82/70/532848270.db2.gz ZDMJNLPRYPFYSC-ZETCQYMHSA-N 1 0 382.180 2.117 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415507479 532848307 /nfs/dbraw/zinc/84/83/07/532848307.db2.gz DDQQWUSPALRCJZ-LURJTMIESA-N 1 0 383.073 2.405 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000289154116 532848978 /nfs/dbraw/zinc/84/89/78/532848978.db2.gz RVMQHNXWEWVDDS-WCQYABFASA-N 1 0 395.301 2.176 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415525152 532848987 /nfs/dbraw/zinc/84/89/87/532848987.db2.gz OZONEUPTBRINHD-YUMQZZPRSA-N 1 0 392.656 2.376 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000415533035 532849029 /nfs/dbraw/zinc/84/90/29/532849029.db2.gz HJTBTYLQDSDHRS-LLVKDONJSA-N 1 0 375.416 2.441 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1Br ZINC000274394123 532849243 /nfs/dbraw/zinc/84/92/43/532849243.db2.gz ICQBJGDWIKSQRY-GXTWGEPZSA-N 1 0 380.286 2.439 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415536027 532849280 /nfs/dbraw/zinc/84/92/80/532849280.db2.gz DZDPCZCRAQAOBM-HTQZYQBOSA-N 1 0 392.656 2.376 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000415541515 532849448 /nfs/dbraw/zinc/84/94/48/532849448.db2.gz NZPIIVFYKGHNSP-QYJAPNMZSA-N 1 0 396.285 2.138 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)C1CC1 ZINC000415540045 532849461 /nfs/dbraw/zinc/84/94/61/532849461.db2.gz XBWPBADTFGMYPK-JTQLQIEISA-N 1 0 378.629 2.034 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000415543741 532849562 /nfs/dbraw/zinc/84/95/62/532849562.db2.gz SDUYPDURFVMDBD-AWEZNQCLSA-N 1 0 395.301 2.082 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415554131 532849772 /nfs/dbraw/zinc/84/97/72/532849772.db2.gz AZOIZJIFKAXPLT-HTQZYQBOSA-N 1 0 392.656 2.376 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415554736 532849791 /nfs/dbraw/zinc/84/97/91/532849791.db2.gz DOOZWNQSJZKOMU-UHFFFAOYSA-N 1 0 382.302 2.456 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)[C@@H](C)C[NH2+]1 ZINC000415551446 532849897 /nfs/dbraw/zinc/84/98/97/532849897.db2.gz DMHMHZXUXARLLI-QWRGUYRKSA-N 1 0 391.269 2.145 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415567623 532850249 /nfs/dbraw/zinc/85/02/49/532850249.db2.gz HHJLAGGCJXMLJW-UHFFFAOYSA-N 1 0 386.265 2.341 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1Br ZINC000274446855 532850678 /nfs/dbraw/zinc/85/06/78/532850678.db2.gz ULRXFZITZUJEMK-BXUZGUMPSA-N 1 0 380.286 2.295 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415580111 532850775 /nfs/dbraw/zinc/85/07/75/532850775.db2.gz QYBLFECYVZSLPP-VHSXEESVSA-N 1 0 375.803 2.118 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415569359 532850353 /nfs/dbraw/zinc/85/03/53/532850353.db2.gz KCXMTLCJPYEEKJ-MRXNPFEDSA-N 1 0 386.265 2.341 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415560792 532850424 /nfs/dbraw/zinc/85/04/24/532850424.db2.gz VNMZVPJNOPKPFI-ZETCQYMHSA-N 1 0 382.180 2.260 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415582085 532850835 /nfs/dbraw/zinc/85/08/35/532850835.db2.gz OIRQOCWAKIIVMJ-KRWDZBQOSA-N 1 0 398.301 2.292 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCC[NH2+]C1 ZINC000415575313 532850895 /nfs/dbraw/zinc/85/08/95/532850895.db2.gz TZPHFYRFEMQVRS-OAHLLOKOSA-N 1 0 390.228 2.172 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)nc12 ZINC000332281523 532851308 /nfs/dbraw/zinc/85/13/08/532851308.db2.gz IAVGDWJHZQOJHA-RYUDHWBXSA-N 1 0 380.290 2.297 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000415641203 532851662 /nfs/dbraw/zinc/85/16/62/532851662.db2.gz SPOXBLRUBJMOAO-LBPRGKRZSA-N 1 0 395.301 2.498 20 0 GEADRO Cn1cnc(C(=O)N(CC(C)(C)C[NH+](C)C)c2ccc(Br)cn2)n1 ZINC000415619791 532851443 /nfs/dbraw/zinc/85/14/43/532851443.db2.gz ZNCZLWYSWCUNTG-UHFFFAOYSA-N 1 0 395.305 2.207 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415650958 532852064 /nfs/dbraw/zinc/85/20/64/532852064.db2.gz BVWYYFIZQAHVHN-WCQYABFASA-N 1 0 398.301 2.432 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1Br ZINC000415647604 532852150 /nfs/dbraw/zinc/85/21/50/532852150.db2.gz AWBRWBBSGNKXAW-KOLCDFICSA-N 1 0 388.693 2.464 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000415641202 532851713 /nfs/dbraw/zinc/85/17/13/532851713.db2.gz SPOXBLRUBJMOAO-GFCCVEGCSA-N 1 0 395.301 2.498 20 0 GEADRO Cc1cccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1Br ZINC000332346514 532852207 /nfs/dbraw/zinc/85/22/07/532852207.db2.gz XHLHRHYISHOZMU-HNNXBMFYSA-N 1 0 394.313 2.182 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415650275 532852306 /nfs/dbraw/zinc/85/23/06/532852306.db2.gz PYXUESHAGUGMQR-GHMZBOCLSA-N 1 0 375.803 2.309 20 0 GEADRO CC(C)[C@](C)([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C(N)=O ZINC000289339785 532852769 /nfs/dbraw/zinc/85/27/69/532852769.db2.gz LUDPPWKSIBOKCH-AWEZNQCLSA-N 1 0 378.217 2.155 20 0 GEADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415669325 532853076 /nfs/dbraw/zinc/85/30/76/532853076.db2.gz FZJWBNSJDLUSCW-AOOOYVTPSA-N 1 0 389.855 2.314 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c(Br)c1 ZINC000415677586 532853125 /nfs/dbraw/zinc/85/31/25/532853125.db2.gz OWSFTYJMWZBPPL-AWEZNQCLSA-N 1 0 398.301 2.291 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415670543 532853164 /nfs/dbraw/zinc/85/31/64/532853164.db2.gz BKTLRFHGPASCAG-SECBINFHSA-N 1 0 390.228 2.253 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1Br ZINC000415676776 532853167 /nfs/dbraw/zinc/85/31/67/532853167.db2.gz NILMFWVGGNJQTQ-AWEZNQCLSA-N 1 0 398.301 2.291 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000415670744 532853187 /nfs/dbraw/zinc/85/31/87/532853187.db2.gz FBJCCQZOCOIJGE-CQSZACIVSA-N 1 0 398.301 2.291 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415671295 532852973 /nfs/dbraw/zinc/85/29/73/532852973.db2.gz CQPALBBPTKHQHS-SECBINFHSA-N 1 0 390.228 2.253 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1F ZINC000415677393 532853308 /nfs/dbraw/zinc/85/33/08/532853308.db2.gz MRFYDLRNHTZABZ-NSHDSACASA-N 1 0 386.265 2.423 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)ccc1Br ZINC000415680112 532853480 /nfs/dbraw/zinc/85/34/80/532853480.db2.gz QPMQFDYSOVNTCD-CQSZACIVSA-N 1 0 398.301 2.291 20 0 GEADRO C[NH+](C)CCN1CCC(NCc2nc3ccccn3c2Br)CC1 ZINC000289360069 532853523 /nfs/dbraw/zinc/85/35/23/532853523.db2.gz YPLWTBIYAWPHKN-UHFFFAOYSA-N 1 0 380.334 2.212 20 0 GEADRO Cc1ccc(OCCC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000289361118 532853544 /nfs/dbraw/zinc/85/35/44/532853544.db2.gz ZGSUMSVAZYMNNV-OAHLLOKOSA-N 1 0 396.329 2.033 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415691451 532853676 /nfs/dbraw/zinc/85/36/76/532853676.db2.gz NBSCPPBODQCQTF-AWEZNQCLSA-N 1 0 379.766 2.374 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000332374843 532853700 /nfs/dbraw/zinc/85/37/00/532853700.db2.gz SVBZYZUSHWUREO-MJVIPROJSA-N 1 0 398.276 2.421 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415692200 532853760 /nfs/dbraw/zinc/85/37/60/532853760.db2.gz OHJGOXMQIPUGDF-CQSZACIVSA-N 1 0 392.656 2.377 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC[NH2+]1 ZINC000415680301 532853777 /nfs/dbraw/zinc/85/37/77/532853777.db2.gz PYVGMANDMGQXHI-KOLCDFICSA-N 1 0 375.416 2.378 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3c(F)cccc3Br)C[C@@H]21 ZINC000332398134 532854498 /nfs/dbraw/zinc/85/44/98/532854498.db2.gz ZDLDWQICZDFVCD-GBIKHYSHSA-N 1 0 384.249 2.113 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1csc(Br)c1 ZINC000274704384 532854595 /nfs/dbraw/zinc/85/45/95/532854595.db2.gz ZJRZHMCRVYJQQX-GFCCVEGCSA-N 1 0 389.363 2.336 20 0 GEADRO [NH3+]CCCN(CC1CCCC1)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000415705965 532854200 /nfs/dbraw/zinc/85/42/00/532854200.db2.gz CNGGESYAVFLJJV-UHFFFAOYSA-N 1 0 382.555 2.239 20 0 GEADRO C[C@@H](NC(=O)CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1cccs1 ZINC000289457081 532855007 /nfs/dbraw/zinc/85/50/07/532855007.db2.gz LQPHWGURLCDOTG-VXGBXAGGSA-N 1 0 377.432 2.316 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415732523 532855182 /nfs/dbraw/zinc/85/51/82/532855182.db2.gz AJIYCTFPWJIZPU-GFCCVEGCSA-N 1 0 398.276 2.375 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415738261 532855195 /nfs/dbraw/zinc/85/51/95/532855195.db2.gz FCLQLRJZCKDMCO-QMMMGPOBSA-N 1 0 378.217 2.300 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000332453310 532855490 /nfs/dbraw/zinc/85/54/90/532855490.db2.gz MVOMQEPULTXLKP-ZWNOBZJWSA-N 1 0 384.274 2.099 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000415748993 532855602 /nfs/dbraw/zinc/85/56/02/532855602.db2.gz RESDGBRPWIEGOZ-HZMBPMFUSA-N 1 0 378.885 2.274 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415755590 532855963 /nfs/dbraw/zinc/85/59/63/532855963.db2.gz JUYSPQJWBDCNHQ-GFCCVEGCSA-N 1 0 378.274 2.708 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000415760313 532856008 /nfs/dbraw/zinc/85/60/08/532856008.db2.gz SDJTXWYGVJZWLG-YPMHNXCESA-N 1 0 378.274 2.897 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415757244 532856034 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COc1cc(I)ccc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415772960 532856836 /nfs/dbraw/zinc/85/68/36/532856836.db2.gz LMYDJFZHXNHPPN-KOLCDFICSA-N 1 0 389.237 2.419 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)[C@H](C)[NH3+] ZINC000415780020 532856874 /nfs/dbraw/zinc/85/68/74/532856874.db2.gz HZQZWDIDAISOCG-NKWVEPMBSA-N 1 0 398.179 2.138 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000289506828 532856670 /nfs/dbraw/zinc/85/66/70/532856670.db2.gz QNFIFZKTJNMZQG-HNNXBMFYSA-N 1 0 378.947 2.202 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289491754 532856741 /nfs/dbraw/zinc/85/67/41/532856741.db2.gz ADHAVNOIKXLWKS-FAVCQXFFSA-N 1 0 393.281 2.301 20 0 GEADRO CC(C)COc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cc1Cl ZINC000415788805 532857264 /nfs/dbraw/zinc/85/72/64/532857264.db2.gz NABCBVSQKOIRAP-GFCCVEGCSA-N 1 0 377.819 2.412 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415789403 532857319 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COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c(F)cc1F ZINC000289496822 532857013 /nfs/dbraw/zinc/85/70/13/532857013.db2.gz JNENCSLSOSGAQG-UHFFFAOYSA-N 1 0 376.469 2.395 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000332504913 532857044 /nfs/dbraw/zinc/85/70/44/532857044.db2.gz FMOIOMZSROEWSQ-QWHCGFSZSA-N 1 0 395.297 2.138 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)C[C@H]1C[NH3+] ZINC000332601387 532857922 /nfs/dbraw/zinc/85/79/22/532857922.db2.gz NHSGGUMYHQNXJC-DGCLKSJQSA-N 1 0 384.307 2.321 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415795440 532857680 /nfs/dbraw/zinc/85/76/80/532857680.db2.gz XPUNAWYXJURAIV-MRVPVSSYSA-N 1 0 393.079 2.004 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415802487 532858175 /nfs/dbraw/zinc/85/81/75/532858175.db2.gz IBOVLDGPYZTONZ-CYBMUJFWSA-N 1 0 398.301 2.353 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415805943 532858188 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GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C[C@H]1[NH3+] ZINC000415834125 532859417 /nfs/dbraw/zinc/85/94/17/532859417.db2.gz UOEJJROZEBGAFX-QMTHXVAHSA-N 1 0 376.254 2.346 20 0 GEADRO CN(C(=O)c1cnc2ccc(Br)cc2c1O)[C@H]1CCC[N@H+](C)C1 ZINC000332648724 532859444 /nfs/dbraw/zinc/85/94/44/532859444.db2.gz XOYSFOGHIOPOPF-LBPRGKRZSA-N 1 0 378.270 2.457 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415819698 532858950 /nfs/dbraw/zinc/85/89/50/532858950.db2.gz JIOOZYOWVKYDNT-RYUDHWBXSA-N 1 0 398.276 2.375 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000415823462 532858967 /nfs/dbraw/zinc/85/89/67/532858967.db2.gz SVGKLSCWZCUQNB-LLVKDONJSA-N 1 0 386.279 2.146 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415834541 532859231 /nfs/dbraw/zinc/85/92/31/532859231.db2.gz APFQOZWRDVOLHI-NWDGAFQWSA-N 1 0 398.301 2.230 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415826803 532859300 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20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415853591 532860614 /nfs/dbraw/zinc/86/06/14/532860614.db2.gz UKGYPUSZEIJQET-RYUDHWBXSA-N 1 0 398.301 2.230 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415854972 532860639 /nfs/dbraw/zinc/86/06/39/532860639.db2.gz NXTFGBKUXBQZIC-QWHCGFSZSA-N 1 0 380.286 2.236 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C[C@@H]1C[NH3+] ZINC000415855092 532860644 /nfs/dbraw/zinc/86/06/44/532860644.db2.gz XVQMLJGAPGSXAC-RISCZKNCSA-N 1 0 394.313 2.320 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415851074 532860697 /nfs/dbraw/zinc/86/06/97/532860697.db2.gz OSAXAKHLDJLQGM-MWLCHTKSSA-N 1 0 386.265 2.278 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(Br)c1 ZINC000289605579 532860460 /nfs/dbraw/zinc/86/04/60/532860460.db2.gz KZSJDLLAQFAHFX-PXAZEXFGSA-N 1 0 396.285 2.410 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1[NH3+] 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393.289 2.068 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCCOc1cccc(Br)c1)C(F)(F)F ZINC000415995656 532862378 /nfs/dbraw/zinc/86/23/78/532862378.db2.gz NPYAQOGFOWYRGM-NSHDSACASA-N 1 0 384.196 2.407 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000415881195 532862158 /nfs/dbraw/zinc/86/21/58/532862158.db2.gz UFIDVPPZBFEXHU-FRRDWIJNSA-N 1 0 380.286 2.200 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C(F)(F)F ZINC000416012547 532862889 /nfs/dbraw/zinc/86/28/89/532862889.db2.gz SLUWLZGKKQKERF-RYUDHWBXSA-N 1 0 378.782 2.024 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)N[C@H](CO)c1cccc(Br)c1)C(F)(F)F ZINC000416001309 532862490 /nfs/dbraw/zinc/86/24/90/532862490.db2.gz CDPRYYNTGPUEPO-GHMZBOCLSA-N 1 0 384.196 2.061 20 0 GEADRO CCc1ccc(CN2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)s1 ZINC000416007057 532863059 /nfs/dbraw/zinc/86/30/59/532863059.db2.gz MIRUFBHQVNHZBC-CQSZACIVSA-N 1 0 378.464 2.417 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@H](CCO)c1ccccc1Br)C(F)(F)F ZINC000416035693 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CCCC[C@@H](C[NH3+])NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418447108 532880968 /nfs/dbraw/zinc/88/09/68/532880968.db2.gz OXXSDSOAABSOEG-SMDDNHRTSA-N 1 0 376.270 2.438 20 0 GEADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3occc3Br)n2)CC1 ZINC000350935651 532886733 /nfs/dbraw/zinc/88/67/33/532886733.db2.gz XJGXNNCJGQEORB-UHFFFAOYSA-N 1 0 383.246 2.187 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000420901410 532886812 /nfs/dbraw/zinc/88/68/12/532886812.db2.gz KAHLKFAUSWVFNI-OAHLLOKOSA-N 1 0 383.945 2.489 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000420901409 532887025 /nfs/dbraw/zinc/88/70/25/532887025.db2.gz KAHLKFAUSWVFNI-HNNXBMFYSA-N 1 0 383.945 2.489 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000290578363 532884391 /nfs/dbraw/zinc/88/43/91/532884391.db2.gz ZYVDHBPTSMBYGZ-LLVKDONJSA-N 1 0 385.306 2.328 20 0 GEADRO C[C@@H](C(=O)NCCc1c[nH]c2cccc(Br)c12)N1CCN(C)CC1 ZINC000290813381 532889975 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KYIRJHXSGWNENC-MRXNPFEDSA-N 1 0 396.329 2.397 20 0 GEADRO C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)c3cc(F)cc(Cl)c3)C2)CC1 ZINC000361909274 532894048 /nfs/dbraw/zinc/89/40/48/532894048.db2.gz TXSPFCWHBYLHKM-INIZCTEOSA-N 1 0 389.924 2.270 20 0 GEADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000423100050 532894128 /nfs/dbraw/zinc/89/41/28/532894128.db2.gz BHYCOSFPPYVNFQ-MRXNPFEDSA-N 1 0 394.313 2.310 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc(Br)cc2Cl)CCCO1 ZINC000424019320 532894579 /nfs/dbraw/zinc/89/45/79/532894579.db2.gz KAOYALBMSJNKRB-LLVKDONJSA-N 1 0 377.666 2.058 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CCCO1 ZINC000424017199 532894726 /nfs/dbraw/zinc/89/47/26/532894726.db2.gz GFFJYKOGRNJKTO-LBPRGKRZSA-N 1 0 379.258 2.029 20 0 GEADRO C[C@H]1CCN(C(=O)c2cc(F)ccc2I)C[C@@H]1C[NH3+] ZINC000424019131 532894768 /nfs/dbraw/zinc/89/47/68/532894768.db2.gz RDLKPDIBNQFTIX-UWVGGRQHSA-N 1 0 376.213 2.487 20 0 GEADRO CCn1cc(Br)cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 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HWSKISYAXROWDK-JSGCOSHPSA-N 1 0 385.555 2.386 20 0 GEADRO Cc1cc([C@H](C)[NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)s1 ZINC000362620803 532896529 /nfs/dbraw/zinc/89/65/29/532896529.db2.gz IIMSIHLTQSMGBJ-AWEZNQCLSA-N 1 0 387.571 2.057 20 0 GEADRO Brc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000362632769 532896633 /nfs/dbraw/zinc/89/66/33/532896633.db2.gz BHKGWEHJVHKUSE-DNVCBOLYSA-N 1 0 394.357 2.433 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1noc2ccc(Br)cc12 ZINC000424644985 532896718 /nfs/dbraw/zinc/89/67/18/532896718.db2.gz NKXOOPAQXMLJII-ZDUSSCGKSA-N 1 0 396.285 2.360 20 0 GEADRO COc1ncc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1Br ZINC000424646868 532897131 /nfs/dbraw/zinc/89/71/31/532897131.db2.gz PVZUCPPCNZKRDF-ZDUSSCGKSA-N 1 0 386.290 2.036 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000276533845 532897586 /nfs/dbraw/zinc/89/75/86/532897586.db2.gz DGKPKJNLIAZWII-VXGBXAGGSA-N 1 0 385.295 2.097 20 0 GEADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO)Nc1ccccc1Br ZINC000363672002 532900159 /nfs/dbraw/zinc/90/01/59/532900159.db2.gz MABUFWPPYSVTOW-CABCVRRESA-N 1 0 396.329 2.309 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)C1 ZINC000363664237 532900352 /nfs/dbraw/zinc/90/03/52/532900352.db2.gz WZQXHKIJGFVDMA-KRWDZBQOSA-N 1 0 380.330 2.230 20 0 GEADRO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(Br)c(Cl)c1 ZINC000291495476 532902705 /nfs/dbraw/zinc/90/27/05/532902705.db2.gz RLXLJFAJUAFMTJ-ZWNOBZJWSA-N 1 0 388.693 2.433 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363946079 532902273 /nfs/dbraw/zinc/90/22/73/532902273.db2.gz RYGDUCQTAVWCQQ-OLZOCXBDSA-N 1 0 396.285 2.139 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000291387815 532900988 /nfs/dbraw/zinc/90/09/88/532900988.db2.gz TYFKZALVJLOYJO-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO CCOC(=O)Nc1scnc1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000291623287 532905421 /nfs/dbraw/zinc/90/54/21/532905421.db2.gz HCOLKSOKQBUHSC-RYUDHWBXSA-N 1 0 384.527 2.363 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000291507461 532903183 /nfs/dbraw/zinc/90/31/83/532903183.db2.gz OGNBSGSRPGKHJY-UWVGGRQHSA-N 1 0 378.420 2.337 20 0 GEADRO COC(=O)CN(Cc1cccc(Br)c1)C(=O)C1CC[NH+](C)CC1 ZINC000276905383 532903239 /nfs/dbraw/zinc/90/32/39/532903239.db2.gz QGXZOOUVEKRMGR-UHFFFAOYSA-N 1 0 383.286 2.293 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000291557911 532904219 /nfs/dbraw/zinc/90/42/19/532904219.db2.gz VATAMKMLRBSLKG-SNVBAGLBSA-N 1 0 378.420 2.481 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000364185183 532904470 /nfs/dbraw/zinc/90/44/70/532904470.db2.gz XTEIRJVGEPSPIH-HZPDHXFCSA-N 1 0 382.302 2.275 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000364185181 532904502 /nfs/dbraw/zinc/90/45/02/532904502.db2.gz XTEIRJVGEPSPIH-HOTGVXAUSA-N 1 0 382.302 2.275 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000364371930 532906546 /nfs/dbraw/zinc/90/65/46/532906546.db2.gz YVYUIQCFJYXKSD-UHFFFAOYSA-N 1 0 386.323 2.474 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000291674340 532906755 /nfs/dbraw/zinc/90/67/55/532906755.db2.gz CVYRFVXYXLLCHQ-UHFFFAOYSA-N 1 0 397.317 2.347 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000364604130 532907037 /nfs/dbraw/zinc/90/70/37/532907037.db2.gz SCPBATBQFQXVCY-ACJLOTCBSA-N 1 0 382.291 2.277 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000291693873 532907042 /nfs/dbraw/zinc/90/70/42/532907042.db2.gz AAQURQOLGNYKMV-DOMZBBRYSA-N 1 0 382.302 2.436 20 0 GEADRO CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000364654189 532907470 /nfs/dbraw/zinc/90/74/70/532907470.db2.gz MLPBGZPSRHNJGC-ZACQAIPSSA-N 1 0 394.313 2.451 20 0 GEADRO COCCCN(C(=O)c1c[nH]c(=O)c(Br)c1)C1CC[NH+](C)CC1 ZINC000291871806 532910043 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C[C@@H]1C[N@@H+](C2CCOCC2)CCN1[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000365834098 532912148 /nfs/dbraw/zinc/91/21/48/532912148.db2.gz APOGGRFQMDKEHP-CXAGYDPISA-N 1 0 396.329 2.161 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)c1cccn2c(I)cnc12 ZINC000292076875 532912657 /nfs/dbraw/zinc/91/26/57/532912657.db2.gz LRBBLBTXIBKFPD-SNVBAGLBSA-N 1 0 386.237 2.186 20 0 GEADRO CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]1c1ccccc1I ZINC000365712901 532911711 /nfs/dbraw/zinc/91/17/11/532911711.db2.gz PYTJRVSPLWDPLH-FZMZJTMJSA-N 1 0 388.249 2.319 20 0 GEADRO CC[NH+](CC)CCCNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000292351880 532915389 /nfs/dbraw/zinc/91/53/89/532915389.db2.gz DUSGBHXLZGKFRW-CQSZACIVSA-N 1 0 385.306 2.007 20 0 GEADRO Cc1cnc(Br)c(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000292111317 532913352 /nfs/dbraw/zinc/91/33/52/532913352.db2.gz STSSFLWAWJJIIE-ZDUSSCGKSA-N 1 0 384.322 2.158 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Br)ccc3F)C2)C1 ZINC000292135842 532913723 /nfs/dbraw/zinc/91/37/23/532913723.db2.gz 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BPSLIFCAVSGACF-UHFFFAOYSA-N 1 0 396.451 2.041 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736252145 598465856 /nfs/dbraw/zinc/46/58/56/598465856.db2.gz PNXCGZPFYDKGFW-GASCZTMLSA-N 1 0 388.541 2.479 20 0 GEADRO COc1cc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc(OC)c1 ZINC000737045658 598467466 /nfs/dbraw/zinc/46/74/66/598467466.db2.gz KEHBAXSPYISBON-UHFFFAOYSA-N 1 0 395.467 2.038 20 0 GEADRO c1cn(CN2CC[C@H]([NH+]3CCCCC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738405124 598467853 /nfs/dbraw/zinc/46/78/53/598467853.db2.gz LZNRKGBOTAMSBY-SFHVURJKSA-N 1 0 378.484 2.248 20 0 GEADRO COC1CC[NH+](C2(CNC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CCCC2)CC1 ZINC000736960982 598471808 /nfs/dbraw/zinc/47/18/08/598471808.db2.gz JEXWBHZCKFVTSB-UHFFFAOYSA-N 1 0 399.499 2.412 20 0 GEADRO C[C@@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C[NH+]1CCCC1 ZINC000736019238 598477865 /nfs/dbraw/zinc/47/78/65/598477865.db2.gz ZJTZPAWQJKLIDA-HNNXBMFYSA-N 1 0 383.500 2.273 20 0 GEADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cn2)C[C@@H](C)O1 ZINC000736291418 598492830 /nfs/dbraw/zinc/49/28/30/598492830.db2.gz WYPKSIITCBZZRK-HUUCEWRRSA-N 1 0 379.468 2.165 20 0 GEADRO C[C@@H](CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)[N@H+](C)C1CC1 ZINC000736025702 598502338 /nfs/dbraw/zinc/50/23/38/598502338.db2.gz MLFHHQPOGIPSOV-ZDUSSCGKSA-N 1 0 396.451 2.251 20 0 GEADRO CC(C)(C)c1ccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735652138 598518319 /nfs/dbraw/zinc/51/83/19/598518319.db2.gz BLYJJUJXIREYDU-CQSZACIVSA-N 1 0 396.499 2.071 20 0 GEADRO Clc1ccc(SCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737573347 598518695 /nfs/dbraw/zinc/51/86/95/598518695.db2.gz KIKJYXXXWLVZES-LLVKDONJSA-N 1 0 390.904 2.140 20 0 GEADRO Clc1ccc([C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CC2)cc1 ZINC000737570741 598518985 /nfs/dbraw/zinc/51/89/85/598518985.db2.gz LORGCMTWTITEAS-MEDUHNTESA-N 1 0 384.875 2.499 20 0 GEADRO Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737666482 598520617 /nfs/dbraw/zinc/52/06/17/598520617.db2.gz XWARYHQZBOGIRX-YGRLFVJLSA-N 1 0 386.460 2.071 20 0 GEADRO CN1CC[NH+](C[C@H](Nc2cccc(F)c2-c2nn[nH]n2)c2ccccc2)CC1 ZINC000736863432 598522556 /nfs/dbraw/zinc/52/25/56/598522556.db2.gz KPUKXIFKTNLQOA-SFHVURJKSA-N 1 0 381.459 2.406 20 0 GEADRO Clc1cc(Cl)cc(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000737567289 598526059 /nfs/dbraw/zinc/52/60/59/598526059.db2.gz ZKMIQFVMCKHWKN-NSHDSACASA-N 1 0 393.282 2.244 20 0 GEADRO Clc1ccc(C2(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCC2)cc1 ZINC000737570721 598529714 /nfs/dbraw/zinc/52/97/14/598529714.db2.gz LLLPUADOCHEKBN-CYBMUJFWSA-N 1 0 398.902 2.470 20 0 GEADRO CC1(C)C[N@@H+](C2(CNC(=O)c3cccc(-c4nn[nH]n4)c3)CCCCC2)CCO1 ZINC000736213552 598534241 /nfs/dbraw/zinc/53/42/41/598534241.db2.gz KCZVYLKLOSMHKX-UHFFFAOYSA-N 1 0 398.511 2.410 20 0 GEADRO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737879987 598539770 /nfs/dbraw/zinc/53/97/70/598539770.db2.gz XHPRXLDHRQETHI-AWEZNQCLSA-N 1 0 389.891 2.019 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736859345 598556061 /nfs/dbraw/zinc/55/60/61/598556061.db2.gz FYBIFOVEOYKVEI-GOSISDBHSA-N 1 0 378.436 2.478 20 0 GEADRO CC(C)CN(C(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1)C1CC[NH+](C)CC1 ZINC000735819086 598556910 /nfs/dbraw/zinc/55/69/10/598556910.db2.gz RMEJERXBNOLPST-HNNXBMFYSA-N 1 0 386.500 2.213 20 0 GEADRO C[NH+](C)CCCCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736759413 598557445 /nfs/dbraw/zinc/55/74/45/598557445.db2.gz QHKHBKAXZPYFMN-UHFFFAOYSA-N 1 0 384.440 2.110 20 0 GEADRO c1ncn(CCC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)n1 ZINC000738409475 598562793 /nfs/dbraw/zinc/56/27/93/598562793.db2.gz CKALVOKKUGZLJJ-UHFFFAOYSA-N 1 0 390.451 2.217 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1sccc1-c1nn[nH]n1 ZINC000736572040 598590559 /nfs/dbraw/zinc/59/05/59/598590559.db2.gz UPFOZQXTUCJUGH-HNNXBMFYSA-N 1 0 397.508 2.450 20 0 GEADRO C[N@H+](CCc1ccccc1F)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736805168 598595053 /nfs/dbraw/zinc/59/50/53/598595053.db2.gz BZIPDSIVGRJZNP-GOSISDBHSA-N 1 0 380.427 2.286 20 0 GEADRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736530311 598596625 /nfs/dbraw/zinc/59/66/25/598596625.db2.gz HRZHTXOQQICUDW-LPHOPBHVSA-N 1 0 399.543 2.462 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CC1(Sc3ccccc3)CC1)C2 ZINC000738432154 598597550 /nfs/dbraw/zinc/59/75/50/598597550.db2.gz FTFCJEFTZSWQOR-CYBMUJFWSA-N 1 0 382.497 2.019 20 0 GEADRO C[N@H+](CCC1CCCCC1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736793285 598617226 /nfs/dbraw/zinc/61/72/26/598617226.db2.gz WBWMPZBJVMSWAW-KRWDZBQOSA-N 1 0 382.468 2.401 20 0 GEADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736797394 598621749 /nfs/dbraw/zinc/62/17/49/598621749.db2.gz HOLMKEIYSQTNBH-IBGZPJMESA-N 1 0 392.463 2.373 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000736401289 598625633 /nfs/dbraw/zinc/62/56/33/598625633.db2.gz HTSNGUWWXVTNDH-HNNXBMFYSA-N 1 0 386.500 2.262 20 0 GEADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000738167236 598630101 /nfs/dbraw/zinc/63/01/01/598630101.db2.gz PZHAJBDHQAVECO-UHFFFAOYSA-N 1 0 396.430 2.187 20 0 GEADRO Cc1nn(C)c(N2CC[NH+](Cc3cccc4ccccc43)CC2)c1-c1nn[nH]n1 ZINC000737510272 598630734 /nfs/dbraw/zinc/63/07/34/598630734.db2.gz CEDHYOBXCMURTG-UHFFFAOYSA-N 1 0 388.479 2.384 20 0 GEADRO O[C@@H](CNc1cc(Cl)ccc1-c1nn[nH]n1)C[N@@H+]1CCc2ccccc2C1 ZINC000738385137 598634331 /nfs/dbraw/zinc/63/43/31/598634331.db2.gz VZRGIWJFMGGSJJ-INIZCTEOSA-N 1 0 384.871 2.351 20 0 GEADRO CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736768613 598667676 /nfs/dbraw/zinc/66/76/76/598667676.db2.gz GITLEGCYKMMYIV-JYRVWZFOSA-N 1 0 392.463 2.483 20 0 GEADRO CN(C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000736732172 598670851 /nfs/dbraw/zinc/67/08/51/598670851.db2.gz KXVZDRIOVGEWFH-QGZVFWFLSA-N 1 0 384.484 2.111 20 0 GEADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738022264 598679353 /nfs/dbraw/zinc/67/93/53/598679353.db2.gz DJSAQAVXCYBECL-UHFFFAOYSA-N 1 0 380.427 2.400 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736570304 598681318 /nfs/dbraw/zinc/68/13/18/598681318.db2.gz LNQWJDXZEWJNSA-INIZCTEOSA-N 1 0 393.451 2.268 20 0 GEADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1)c1ccsc1 ZINC000738023315 598683463 /nfs/dbraw/zinc/68/34/63/598683463.db2.gz HRPCNZFTNUVTLZ-UHFFFAOYSA-N 1 0 386.456 2.462 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736566166 598684593 /nfs/dbraw/zinc/68/45/93/598684593.db2.gz XQSGGFFECRBSTM-AWEZNQCLSA-N 1 0 393.451 2.126 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736570984 598686810 /nfs/dbraw/zinc/68/68/10/598686810.db2.gz OAFOBOZPSRATGC-MRXNPFEDSA-N 1 0 386.500 2.264 20 0 GEADRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736760576 598688372 /nfs/dbraw/zinc/68/83/72/598688372.db2.gz AKGAWDRYXPEFFL-QGZVFWFLSA-N 1 0 386.500 2.359 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736570920 598689894 /nfs/dbraw/zinc/68/98/94/598689894.db2.gz POHMIFSMDZZMGS-UHFFFAOYSA-N 1 0 393.451 2.222 20 0 GEADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000737801260 598698010 /nfs/dbraw/zinc/69/80/10/598698010.db2.gz MYWBQFRYELFKCI-CMDGGOBGSA-N 1 0 396.495 2.031 20 0 GEADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738108256 598698069 /nfs/dbraw/zinc/69/80/69/598698069.db2.gz DTAAXUBKUUZKDM-UHFFFAOYSA-N 1 0 392.463 2.271 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736858858 598700359 /nfs/dbraw/zinc/70/03/59/598700359.db2.gz VGLJXTOVHPZXRU-INIZCTEOSA-N 1 0 378.436 2.483 20 0 GEADRO O=C(NCC[NH+]1CCCC1)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738076682 598700944 /nfs/dbraw/zinc/70/09/44/598700944.db2.gz XJVCCBXMZCEEDL-UHFFFAOYSA-N 1 0 378.436 2.485 20 0 GEADRO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735831475 598701064 /nfs/dbraw/zinc/70/10/64/598701064.db2.gz SGQJNOYXBQAQTL-OAHLLOKOSA-N 1 0 396.417 2.488 20 0 GEADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000737942462 598702242 /nfs/dbraw/zinc/70/22/42/598702242.db2.gz KVFRWIOSHSRWCQ-UHFFFAOYSA-N 1 0 386.525 2.293 20 0 GEADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000736871455 598705331 /nfs/dbraw/zinc/70/53/31/598705331.db2.gz UPIOSCSWBWKNCT-QGZVFWFLSA-N 1 0 376.464 2.492 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](CNc2ccccn2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737840172 598762875 /nfs/dbraw/zinc/76/28/75/598762875.db2.gz ZZXWCYLFXCIRDK-OAHLLOKOSA-N 1 0 392.467 2.024 20 0 GEADRO O=C(CCN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737843678 598764125 /nfs/dbraw/zinc/76/41/25/598764125.db2.gz MGKIWBJPUCQQDY-MRXNPFEDSA-N 1 0 383.500 2.146 20 0 GEADRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCS1 ZINC000736284535 598767510 /nfs/dbraw/zinc/76/75/10/598767510.db2.gz AOLZNXIDXJGCOD-SNVBAGLBSA-N 1 0 378.527 2.183 20 0 GEADRO CCCn1cc(C[N@@H+]2CCCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cn1 ZINC000736501551 598787476 /nfs/dbraw/zinc/78/74/76/598787476.db2.gz FAZSMFYRJHYDIX-UHFFFAOYSA-N 1 0 384.463 2.325 20 0 GEADRO O=C(C1CCSCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737788980 598793314 /nfs/dbraw/zinc/79/33/14/598793314.db2.gz AUEROPNYQRCCOK-UHFFFAOYSA-N 1 0 386.525 2.044 20 0 GEADRO C[N@H+](CCN1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)Cc1ccccc1 ZINC000736799355 598797295 /nfs/dbraw/zinc/79/72/95/598797295.db2.gz RRNBOSCYYQJKCS-UHFFFAOYSA-N 1 0 395.486 2.260 20 0 GEADRO Cc1nc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000737472800 598804055 /nfs/dbraw/zinc/80/40/55/598804055.db2.gz ZYZOPXAOQFNJTR-UHFFFAOYSA-N 1 0 399.524 2.155 20 0 GEADRO CC(C)c1ocnc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735954033 598804977 /nfs/dbraw/zinc/80/49/77/598804977.db2.gz RLTZWDVIGOZRGV-UHFFFAOYSA-N 1 0 383.456 2.182 20 0 GEADRO Cc1ccc(O)c(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737361539 598805903 /nfs/dbraw/zinc/80/59/03/598805903.db2.gz IQRQAIXCQLGILE-UHFFFAOYSA-N 1 0 380.452 2.085 20 0 GEADRO CCCC[N@H+](C)CC1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736453483 598812068 /nfs/dbraw/zinc/81/20/68/598812068.db2.gz MZJJQEXZSPYKDD-UHFFFAOYSA-N 1 0 385.516 2.249 20 0 GEADRO CC[N@H+](CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[nH]n1)C(C)C ZINC000736536356 598812923 /nfs/dbraw/zinc/81/29/23/598812923.db2.gz JKHFICHAEZHZPC-UHFFFAOYSA-N 1 0 389.529 2.321 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000738066560 598816265 /nfs/dbraw/zinc/81/62/65/598816265.db2.gz QHORRGZQKGPKIQ-UHFFFAOYSA-N 1 0 396.451 2.254 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCc2ccccc21 ZINC000736767467 598818759 /nfs/dbraw/zinc/81/87/59/598818759.db2.gz QKCMFHPWHGJMAX-HXUWFJFHSA-N 1 0 390.491 2.487 20 0 GEADRO Oc1cccc(C[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC2CC2)c1 ZINC000738401948 598819474 /nfs/dbraw/zinc/81/94/74/598819474.db2.gz XXGVUUMTAARFBG-IBGZPJMESA-N 1 0 395.463 2.224 20 0 GEADRO COc1ccc([C@H](CO)[N@H+](C)Cc2cn3ccccc3c2-c2nn[nH]n2)cc1 ZINC000737077766 598820964 /nfs/dbraw/zinc/82/09/64/598820964.db2.gz XXBVBNPJUKZQRR-SFHVURJKSA-N 1 0 378.436 2.293 20 0 GEADRO C[C@@H]1CN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C[C@@H]1[NH+](C)C ZINC000736290786 599298019 /nfs/dbraw/zinc/29/80/19/599298019.db2.gz JRBIPAANPLIOBF-DYVFJYSZSA-N 1 0 396.451 2.061 20 0 GEADRO C[C@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C[C@H]1[NH+](C)C ZINC000736294007 599298165 /nfs/dbraw/zinc/29/81/65/599298165.db2.gz VTBYCKTXSYAOHC-SUMWQHHRSA-N 1 0 393.451 2.076 20 0 GEADRO CCC[C@]1(C)CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821026777 599307781 /nfs/dbraw/zinc/30/77/81/599307781.db2.gz BTSJMKWDWVJZIL-OXJNMPFZSA-N 1 0 382.468 2.401 20 0 GEADRO CCC[C@@]1(C)CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821026779 599307789 /nfs/dbraw/zinc/30/77/89/599307789.db2.gz BTSJMKWDWVJZIL-UZLBHIALSA-N 1 0 382.468 2.401 20 0 GEADRO CC(C)[C@H](CO)[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000735710759 599353723 /nfs/dbraw/zinc/35/37/23/599353723.db2.gz OHCOYTMUIHFQNU-IBGZPJMESA-N 1 0 394.479 2.324 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000443014530 599361773 /nfs/dbraw/zinc/36/17/73/599361773.db2.gz PARJAYYAELIVBT-GFCCVEGCSA-N 1 0 398.920 2.015 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(Cl)cn1 ZINC000736767046 599374563 /nfs/dbraw/zinc/37/45/63/599374563.db2.gz JPOKKNBTLFJVOT-UHFFFAOYSA-N 1 0 385.859 2.119 20 0 GEADRO Cc1cccc(OCCNC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000822327527 599392314 /nfs/dbraw/zinc/39/23/14/599392314.db2.gz HWNUYVUGBQILLR-HZPDHXFCSA-N 1 0 394.479 2.409 20 0 GEADRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3cccc(-c4nn[nH]n4)n3)cc2)C[C@H](C)O1 ZINC000736284758 599405921 /nfs/dbraw/zinc/40/59/21/599405921.db2.gz FQHOWKKANZBVLZ-GASCZTMLSA-N 1 0 379.468 2.483 20 0 GEADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000820711243 599422378 /nfs/dbraw/zinc/42/23/78/599422378.db2.gz VQDHOQRSUVXEBX-CYBMUJFWSA-N 1 0 389.479 2.316 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cc1-c1nn[nH]n1 ZINC000821809104 599433733 /nfs/dbraw/zinc/43/37/33/599433733.db2.gz MDXVUGZWOUSRAX-HNNXBMFYSA-N 1 0 398.854 2.424 20 0 GEADRO COc1ccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)cc1-c1nn[nH]n1 ZINC000821814197 599437650 /nfs/dbraw/zinc/43/76/50/599437650.db2.gz WRCRZGREGCLEAD-UHFFFAOYSA-N 1 0 392.463 2.334 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000737633280 599441814 /nfs/dbraw/zinc/44/18/14/599441814.db2.gz PWIRSSFDYQLNEX-NSHDSACASA-N 1 0 397.405 2.193 20 0 GEADRO COc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(OC)c1OC ZINC000821813419 599450747 /nfs/dbraw/zinc/45/07/47/599450747.db2.gz FUXVTTOASLRPND-UHFFFAOYSA-N 1 0 385.424 2.061 20 0 GEADRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821903233 599458683 /nfs/dbraw/zinc/45/86/83/599458683.db2.gz DOENAQNLCGEOOM-ZDUSSCGKSA-N 1 0 379.424 2.080 20 0 GEADRO CCOC(=O)COc1ccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821330696 599462585 /nfs/dbraw/zinc/46/25/85/599462585.db2.gz OTDVUEUMCLFKSS-UHFFFAOYSA-N 1 0 381.436 2.141 20 0 GEADRO O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737876672 599478503 /nfs/dbraw/zinc/47/85/03/599478503.db2.gz SADWKRQQSXQGFB-QGZVFWFLSA-N 1 0 394.454 2.187 20 0 GEADRO c1coc([C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N2CCCCC2)c1 ZINC000738448283 599484512 /nfs/dbraw/zinc/48/45/12/599484512.db2.gz NJTAVRPYNJIFGI-KRWDZBQOSA-N 1 0 392.467 2.424 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(-c4nn[nH]n4)cc3C(F)(F)F)CC2)C1 ZINC000736855400 599526772 /nfs/dbraw/zinc/52/67/72/599526772.db2.gz GLBZNRJTWRIQEH-CQSZACIVSA-N 1 0 395.433 2.102 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(-c4nn[nH]n4)cc3C(F)(F)F)CC2)C1 ZINC000736855396 599526986 /nfs/dbraw/zinc/52/69/86/599526986.db2.gz GLBZNRJTWRIQEH-AWEZNQCLSA-N 1 0 395.433 2.102 20 0 GEADRO CC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC[N@@H+]1C[C@H](C)O ZINC000820994087 599533140 /nfs/dbraw/zinc/53/31/40/599533140.db2.gz DDNFWSNUUXWDKL-ZFWWWQNUSA-N 1 0 399.474 2.144 20 0 GEADRO CC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC[N@@H+]1C[C@@H](C)O ZINC000820995795 599534237 /nfs/dbraw/zinc/53/42/37/599534237.db2.gz YIAPNIADUGFWLX-CABCVRRESA-N 1 0 381.484 2.005 20 0 GEADRO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccc(-c2nn[nH]n2)n1 ZINC000821596171 599535426 /nfs/dbraw/zinc/53/54/26/599535426.db2.gz BOPPIMUOVLSCMU-LJQANCHMSA-N 1 0 393.495 2.144 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000822337413 599565044 /nfs/dbraw/zinc/56/50/44/599565044.db2.gz XXHJMVGNNZEARZ-OAHLLOKOSA-N 1 0 393.495 2.058 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736849786 599565379 /nfs/dbraw/zinc/56/53/79/599565379.db2.gz XBGZBTANWXPKMA-AWEZNQCLSA-N 1 0 377.452 2.292 20 0 GEADRO c1cc(-c2nnc(CN3CCC([NH+]4CCCCC4)CC3)o2)ccc1-c1nn[nH]n1 ZINC000823737462 599565505 /nfs/dbraw/zinc/56/55/05/599565505.db2.gz FADYEPPJIDEJSE-UHFFFAOYSA-N 1 0 394.483 2.367 20 0 GEADRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736614978 599587108 /nfs/dbraw/zinc/58/71/08/599587108.db2.gz WOILPOSSZAMRGV-GFCCVEGCSA-N 1 0 390.513 2.246 20 0 GEADRO O=C(CCN1CCC[C@H]([NH+]2CCCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737843270 599589794 /nfs/dbraw/zinc/58/97/94/599589794.db2.gz JYQWCVKQNGVQHC-AWEZNQCLSA-N 1 0 389.529 2.207 20 0 GEADRO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335177 599590493 /nfs/dbraw/zinc/59/04/93/599590493.db2.gz QTLFTTPWCPUEHF-INIZCTEOSA-N 1 0 378.480 2.354 20 0 GEADRO CCc1nsc(N2CCC[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)n1 ZINC000821558594 599596494 /nfs/dbraw/zinc/59/64/94/599596494.db2.gz BNPHXEHYHLOCPK-UHFFFAOYSA-N 1 0 388.476 2.132 20 0 GEADRO CCCC[C@H](C(=O)OC)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821041106 599635519 /nfs/dbraw/zinc/63/55/19/599635519.db2.gz ZEHANZBAJCAGPG-GOSISDBHSA-N 1 0 386.500 2.106 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821598992 599641547 /nfs/dbraw/zinc/64/15/47/599641547.db2.gz AYTYGEUBHDQFKT-CQSZACIVSA-N 1 0 391.907 2.265 20 0 GEADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)cc21 ZINC000821587145 599651185 /nfs/dbraw/zinc/65/11/85/599651185.db2.gz IXGQOCXZMFAMLE-UHFFFAOYSA-N 1 0 376.424 2.030 20 0 GEADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000820971789 599691152 /nfs/dbraw/zinc/69/11/52/599691152.db2.gz GBRCQXCADOPSHA-UONOGXRCSA-N 1 0 380.456 2.111 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000820152486 599692392 /nfs/dbraw/zinc/69/23/92/599692392.db2.gz ZNZTWULOJHSMBO-CABCVRRESA-N 1 0 385.472 2.354 20 0 GEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)CC1 ZINC000738769402 599947778 /nfs/dbraw/zinc/94/77/78/599947778.db2.gz AXTDSRQHDXEPHQ-QGZVFWFLSA-N 1 0 387.524 2.261 20 0 GEADRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)cc1 ZINC000737371025 600064067 /nfs/dbraw/zinc/06/40/67/600064067.db2.gz WXOOBBXYTXBFPI-UHFFFAOYSA-N 1 0 396.491 2.207 20 0 GEADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824776541 607429953 /nfs/dbraw/zinc/42/99/53/607429953.db2.gz CFMXVKSNASALQR-CQSZACIVSA-N 1 0 377.452 2.217 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1-c1nn[nH]n1 ZINC000820164356 607431967 /nfs/dbraw/zinc/43/19/67/607431967.db2.gz IWNZPJGIFVMCAR-JKSUJKDBSA-N 1 0 385.472 2.402 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1-c1nn[nH]n1 ZINC000820164395 607432628 /nfs/dbraw/zinc/43/26/28/607432628.db2.gz KIDKZSXYKCOPLL-CABCVRRESA-N 1 0 385.472 2.354 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824261248 607447820 /nfs/dbraw/zinc/44/78/20/607447820.db2.gz GKDRETZAIWAPKG-UHFFFAOYSA-N 1 0 383.500 2.275 20 0 GEADRO Cc1oc(NC(=O)C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c(-c2nn[nH]n2)c1C ZINC000826342153 607466942 /nfs/dbraw/zinc/46/69/42/607466942.db2.gz ZFYQALCMOFXWPE-WLRWDXFRSA-N 1 0 390.488 2.182 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826176036 607477662 /nfs/dbraw/zinc/47/76/62/607477662.db2.gz YIIJNSJTYUVCAS-SJLPKXTDSA-N 1 0 398.511 2.203 20 0 GEADRO O=C(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407294 607478414 /nfs/dbraw/zinc/47/84/14/607478414.db2.gz HUBHYVSALVJKJY-VQIMIIECSA-N 1 0 395.511 2.144 20 0 GEADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826194276 607484594 /nfs/dbraw/zinc/48/45/94/607484594.db2.gz HRXKJZZFJMOVJT-UHFFFAOYSA-N 1 0 398.511 2.490 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000829764883 601044831 /nfs/dbraw/zinc/04/48/31/601044831.db2.gz ASRRTGIBJXURAH-HNNXBMFYSA-N 1 0 380.464 2.404 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000822864645 607489766 /nfs/dbraw/zinc/48/97/66/607489766.db2.gz HIBNYYPKQKXVPN-SFHVURJKSA-N 1 0 395.442 2.068 20 0 GEADRO CN(C[C@H]1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1)C(=O)OC(C)(C)C ZINC000825907873 607492438 /nfs/dbraw/zinc/49/24/38/607492438.db2.gz CRIKUALEJMWSDL-OAHLLOKOSA-N 1 0 387.488 2.341 20 0 GEADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000822977931 607502255 /nfs/dbraw/zinc/50/22/55/607502255.db2.gz CMRCQAJIYXDXAH-HKUYNNGSSA-N 1 0 380.496 2.275 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824261598 607509247 /nfs/dbraw/zinc/50/92/47/607509247.db2.gz NBYOJGHFKPDGKG-JKSUJKDBSA-N 1 0 386.500 2.118 20 0 GEADRO C[C@@H]1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824948280 607509944 /nfs/dbraw/zinc/50/99/44/607509944.db2.gz SSOLCDHASGWQLF-CZUORRHYSA-N 1 0 387.488 2.387 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000826182872 607517951 /nfs/dbraw/zinc/51/79/51/607517951.db2.gz WWLZJOPEBNXMGH-OAHLLOKOSA-N 1 0 398.511 2.346 20 0 GEADRO CCCOc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000825339275 607529080 /nfs/dbraw/zinc/52/90/80/607529080.db2.gz VAZUZKAWPGPKKC-UHFFFAOYSA-N 1 0 379.468 2.373 20 0 GEADRO COc1ccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1-c1nn[nH]n1 ZINC000826202039 607532386 /nfs/dbraw/zinc/53/23/86/607532386.db2.gz MODAHJZETALMSE-ZIAGYGMSSA-N 1 0 392.463 2.331 20 0 GEADRO CC(C)(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824157767 607584653 /nfs/dbraw/zinc/58/46/53/607584653.db2.gz KTXBRTLTZWILHA-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)[N@@H+]1CCCC[C@@H]1C ZINC000824938562 607587075 /nfs/dbraw/zinc/58/70/75/607587075.db2.gz VGPVUZPWCCZPCN-RYUDHWBXSA-N 1 0 398.920 2.061 20 0 GEADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(OC)c(-c3nn[nH]n3)c2)o1 ZINC000825416065 607591548 /nfs/dbraw/zinc/59/15/48/607591548.db2.gz GYZLSHSKGKNKJB-UHFFFAOYSA-N 1 0 384.440 2.240 20 0 GEADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000825285042 607598575 /nfs/dbraw/zinc/59/85/75/607598575.db2.gz HPHNCVBHSVQELK-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO C[N@H+](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)C1CCCCC1 ZINC000825942072 607600317 /nfs/dbraw/zinc/60/03/17/607600317.db2.gz VBQFYSXHKKDUSS-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444075080 649934474 /nfs/dbraw/zinc/93/44/74/649934474.db2.gz JMPGPDRMVDLGBR-LBPRGKRZSA-N 1 0 386.411 2.480 20 0 GEADRO COc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826198048 607627640 /nfs/dbraw/zinc/62/76/40/607627640.db2.gz KKFTYDYJNHMEDE-INIZCTEOSA-N 1 0 399.499 2.035 20 0 GEADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444161105 649938172 /nfs/dbraw/zinc/93/81/72/649938172.db2.gz NNXABPYCJSWTCV-OWQGQXMQSA-N 1 0 378.314 2.391 20 0 GEADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826269131 607650808 /nfs/dbraw/zinc/65/08/08/607650808.db2.gz BBBSYAWUSFUZOD-UHFFFAOYSA-N 1 0 391.479 2.488 20 0 GEADRO Cc1cccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)c1-c1nn[nH]n1 ZINC000826300822 607664570 /nfs/dbraw/zinc/66/45/70/607664570.db2.gz HKKAQRPEMYCMNW-UHFFFAOYSA-N 1 0 392.529 2.060 20 0 GEADRO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000832757758 604035775 /nfs/dbraw/zinc/03/57/75/604035775.db2.gz NVXZSQOQGJNFNL-PMACEKPBSA-N 1 0 375.513 2.034 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)cc(Br)c2)C[C@@H]1[NH+](C)C ZINC000444210152 649941470 /nfs/dbraw/zinc/94/14/70/649941470.db2.gz DVLAOYLTMAWBJH-UONOGXRCSA-N 1 0 393.372 2.424 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000444273435 649944389 /nfs/dbraw/zinc/94/43/89/649944389.db2.gz PASSSJBWPJDMPY-HZPDHXFCSA-N 1 0 394.313 2.312 20 0 GEADRO O=C([O-])c1csc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000833138359 604505597 /nfs/dbraw/zinc/50/55/97/604505597.db2.gz TVHVRFLWZMHXPM-UHFFFAOYSA-N 1 0 389.481 2.175 20 0 GEADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC000825981494 607722374 /nfs/dbraw/zinc/72/23/74/607722374.db2.gz TUFWLVGNUAKVKU-UHFFFAOYSA-N 1 0 379.468 2.179 20 0 GEADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCC(=O)[O-])C[C@H]2C)C1 ZINC000833550598 605045372 /nfs/dbraw/zinc/04/53/72/605045372.db2.gz XJRFZAFUJFHJGE-ZHALLVOQSA-N 1 0 388.512 2.012 20 0 GEADRO COc1cccc(OCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826217424 607740740 /nfs/dbraw/zinc/74/07/40/607740740.db2.gz LPCFMDKHSFGRHC-UHFFFAOYSA-N 1 0 380.452 2.076 20 0 GEADRO COc1ccccc1N1CC[C@H](C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)C1 ZINC000833736448 605222398 /nfs/dbraw/zinc/22/23/98/605222398.db2.gz KAKXSTQISMAJHM-QGZVFWFLSA-N 1 0 375.513 2.440 20 0 GEADRO C[C@@H]1CN([C@H](C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)c2cccs2)CCO1 ZINC000833625999 605224826 /nfs/dbraw/zinc/22/48/26/605224826.db2.gz NVGLDIOPVBVQKP-SJLPKXTDSA-N 1 0 395.569 2.429 20 0 GEADRO C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@@H+]1CCC(=O)[O-] ZINC000833619178 605274831 /nfs/dbraw/zinc/27/48/31/605274831.db2.gz SVNHVOJTZWSSKU-FUHWJXTLSA-N 1 0 391.487 2.045 20 0 GEADRO O=C([O-])NC[C@H]1CCCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000834220341 605599823 /nfs/dbraw/zinc/59/98/23/605599823.db2.gz GUTUQHFJZPRMLK-IEBWSBKVSA-N 1 0 375.517 2.010 20 0 GEADRO O=C(NCC[NH+]1CCC1)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000826437498 607765705 /nfs/dbraw/zinc/76/57/05/607765705.db2.gz OAXBVPUJVWPXNK-UHFFFAOYSA-N 1 0 382.399 2.234 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000445265066 649960878 /nfs/dbraw/zinc/96/08/78/649960878.db2.gz UGLCCTJEALZSJM-CQSZACIVSA-N 1 0 380.286 2.428 20 0 GEADRO c1ccc2nc(N3CCC(CC[NH+]4CCOCC4)CC3)c(-c3nn[nH]n3)cc2c1 ZINC000823802700 606065498 /nfs/dbraw/zinc/06/54/98/606065498.db2.gz YTBDRCJAHZRZOA-UHFFFAOYSA-N 1 0 393.495 2.354 20 0 GEADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC000822242526 606072420 /nfs/dbraw/zinc/07/24/20/606072420.db2.gz NYUDGWROZFMEAQ-QGZVFWFLSA-N 1 0 377.452 2.421 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821614324 606088205 /nfs/dbraw/zinc/08/82/05/606088205.db2.gz AIXNXRCSMWQIPW-LJQANCHMSA-N 1 0 378.480 2.452 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820995818 606092941 /nfs/dbraw/zinc/09/29/41/606092941.db2.gz YPAXAFPPFVFPGA-ZIAGYGMSSA-N 1 0 389.891 2.017 20 0 GEADRO Cc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822235078 606103554 /nfs/dbraw/zinc/10/35/54/606103554.db2.gz RBZYPMUMMJMYBH-UHFFFAOYSA-N 1 0 382.468 2.291 20 0 GEADRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820643732 606112163 /nfs/dbraw/zinc/11/21/63/606112163.db2.gz YJXGUGSPNWSOLN-JXFKEZNVSA-N 1 0 390.491 2.436 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821614525 606113393 /nfs/dbraw/zinc/11/33/93/606113393.db2.gz JQVLGNCMGZLODT-HNNXBMFYSA-N 1 0 397.508 2.073 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821614526 606113878 /nfs/dbraw/zinc/11/38/78/606113878.db2.gz JQVLGNCMGZLODT-OAHLLOKOSA-N 1 0 397.508 2.073 20 0 GEADRO O=C(CCCC[NH+]1CCCC1)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000822954721 606114390 /nfs/dbraw/zinc/11/43/90/606114390.db2.gz ACTJVRYPSWQGNC-UHFFFAOYSA-N 1 0 397.527 2.218 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)c(F)cc2F)CCC1 ZINC000445712008 649964242 /nfs/dbraw/zinc/96/42/42/649964242.db2.gz NQVYWVMONQVFQT-UHFFFAOYSA-N 1 0 383.258 2.490 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821254975 606123749 /nfs/dbraw/zinc/12/37/49/606123749.db2.gz QWOQFDMHFCFFAF-KRWDZBQOSA-N 1 0 386.500 2.359 20 0 GEADRO C[NH+](C)CCOC1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821587071 606163086 /nfs/dbraw/zinc/16/30/86/606163086.db2.gz FMJZZLJFIXMRKP-UHFFFAOYSA-N 1 0 384.406 2.433 20 0 GEADRO CC(C)OCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000820146046 606163859 /nfs/dbraw/zinc/16/38/59/606163859.db2.gz JFNXFGHUARTCMC-UHFFFAOYSA-N 1 0 381.484 2.138 20 0 GEADRO FC(F)(F)c1cc(N2CC[NH+](C3CCOCC3)CC2)ccc1-c1nn[nH]n1 ZINC000822723620 606164690 /nfs/dbraw/zinc/16/46/90/606164690.db2.gz IFSSBXFRTXVWHR-UHFFFAOYSA-N 1 0 382.390 2.187 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](C2CCOCC2)CC1 ZINC000822337198 606164889 /nfs/dbraw/zinc/16/48/89/606164889.db2.gz VFGSBCFRZZLYJR-UHFFFAOYSA-N 1 0 379.468 2.024 20 0 GEADRO CCc1ccc(C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000821476510 606205527 /nfs/dbraw/zinc/20/55/27/606205527.db2.gz OWYVIEPGZBHOOO-HNNXBMFYSA-N 1 0 380.500 2.235 20 0 GEADRO CN1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1=O ZINC000821623148 606238095 /nfs/dbraw/zinc/23/80/95/606238095.db2.gz FAIIKPBHGSBRPG-LJQANCHMSA-N 1 0 392.463 2.156 20 0 GEADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000821197968 606249761 /nfs/dbraw/zinc/24/97/61/606249761.db2.gz PVADRYFGYLESFL-UHFFFAOYSA-N 1 0 393.455 2.139 20 0 GEADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823323229 606265421 /nfs/dbraw/zinc/26/54/21/606265421.db2.gz HJGICVKQZLAABS-UHFFFAOYSA-N 1 0 383.481 2.038 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000820655804 606278179 /nfs/dbraw/zinc/27/81/79/606278179.db2.gz CHUCDMWCVSIIIA-RHSMWYFYSA-N 1 0 379.468 2.320 20 0 GEADRO Cc1ccccc1C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822356253 606310027 /nfs/dbraw/zinc/31/00/27/606310027.db2.gz PFCJTWNSSCIQHP-OAHLLOKOSA-N 1 0 385.493 2.170 20 0 GEADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000821652506 606328978 /nfs/dbraw/zinc/32/89/78/606328978.db2.gz UKAVOZMVELMELD-ZWKOTPCHSA-N 1 0 384.484 2.031 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCSC1 ZINC000821581102 606330751 /nfs/dbraw/zinc/33/07/51/606330751.db2.gz CKNVUDIJIVNSPW-HNNXBMFYSA-N 1 0 381.893 2.079 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821001175 606334234 /nfs/dbraw/zinc/33/42/34/606334234.db2.gz PIFCXFDGKHQXMK-DLBZAZTESA-N 1 0 394.483 2.365 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821002747 606334446 /nfs/dbraw/zinc/33/44/46/606334446.db2.gz YUGCIOVCYJWIEH-IRXDYDNUSA-N 1 0 394.483 2.365 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000821253531 606336042 /nfs/dbraw/zinc/33/60/42/606336042.db2.gz GIUGKSHBXWDEPK-KGLIPLIRSA-N 1 0 389.529 2.042 20 0 GEADRO C[NH+](C)C1CCN(CCNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821582860 606402878 /nfs/dbraw/zinc/40/28/78/606402878.db2.gz AEDQEEZYUBTBOK-UHFFFAOYSA-N 1 0 383.422 2.323 20 0 GEADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000822659244 606407883 /nfs/dbraw/zinc/40/78/83/606407883.db2.gz ICDMKXYCQWRQQP-UHFFFAOYSA-N 1 0 380.452 2.274 20 0 GEADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000822660001 606409799 /nfs/dbraw/zinc/40/97/99/606409799.db2.gz SUMPQXZWOFBMED-MRXNPFEDSA-N 1 0 380.452 2.274 20 0 GEADRO Cc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)N2CCOCC2)cc1 ZINC000822230728 606411728 /nfs/dbraw/zinc/41/17/28/606411728.db2.gz OUMCELQTQZPPKD-KRWDZBQOSA-N 1 0 384.509 2.400 20 0 GEADRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820261775 606421482 /nfs/dbraw/zinc/42/14/82/606421482.db2.gz QCEHBQAXLYHGQQ-OAHLLOKOSA-N 1 0 383.525 2.229 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cc(Cl)c2c(c1)OCCO2 ZINC000823689546 606422299 /nfs/dbraw/zinc/42/22/99/606422299.db2.gz HOSFDGASLVIQEB-LBPRGKRZSA-N 1 0 393.856 2.176 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000820528190 606433610 /nfs/dbraw/zinc/43/36/10/606433610.db2.gz MLUICEWVPFVPDR-GFCCVEGCSA-N 1 0 384.415 2.473 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000820543166 606434224 /nfs/dbraw/zinc/43/42/24/606434224.db2.gz VNBLMMMLTDTRCP-LBPRGKRZSA-N 1 0 384.415 2.473 20 0 GEADRO Clc1ccc2ncc(-c3nn[nH]n3)c(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000822582502 606440530 /nfs/dbraw/zinc/44/05/30/606440530.db2.gz VKSNDGVNVKOVIO-AWEZNQCLSA-N 1 0 399.886 2.369 20 0 GEADRO O[C@H](CNc1c(Cl)cccc1-c1nn[nH]n1)C[N@@H+]1CCc2ccccc2C1 ZINC000823690724 606451124 /nfs/dbraw/zinc/45/11/24/606451124.db2.gz SIQZXNIHURVZHZ-OAHLLOKOSA-N 1 0 384.871 2.351 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821267108 606453331 /nfs/dbraw/zinc/45/33/31/606453331.db2.gz KLFCACDTNAEAEM-GFCCVEGCSA-N 1 0 383.422 2.323 20 0 GEADRO FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000822714967 606475410 /nfs/dbraw/zinc/47/54/10/606475410.db2.gz XWDXPSSTDQZXHB-IJLUTSLNSA-N 1 0 384.410 2.063 20 0 GEADRO COC(=O)CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)CC(C)C ZINC000821661788 606485446 /nfs/dbraw/zinc/48/54/46/606485446.db2.gz YPTJVXIASSUASZ-UHFFFAOYSA-N 1 0 383.399 2.489 20 0 GEADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000822733312 606487711 /nfs/dbraw/zinc/48/77/11/606487711.db2.gz XHGPFXPKCLKSTJ-ZDUSSCGKSA-N 1 0 381.383 2.053 20 0 GEADRO OCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)Cc2ccccc2C1 ZINC000823712993 606491435 /nfs/dbraw/zinc/49/14/35/606491435.db2.gz AZWZUOMWKZRCLP-UHFFFAOYSA-N 1 0 387.390 2.088 20 0 GEADRO CC[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000820909437 606493010 /nfs/dbraw/zinc/49/30/10/606493010.db2.gz WFMQIJOQGKNLFZ-MRXNPFEDSA-N 1 0 382.493 2.495 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000823093394 606528322 /nfs/dbraw/zinc/52/83/22/606528322.db2.gz WXXQKOJEPHADLP-UHFFFAOYSA-N 1 0 394.454 2.329 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821266783 606538997 /nfs/dbraw/zinc/53/89/97/606538997.db2.gz HGIFRRGIMWRZMA-MRXNPFEDSA-N 1 0 397.508 2.450 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821266282 606556901 /nfs/dbraw/zinc/55/69/01/606556901.db2.gz AHDRTNGIMLTXQP-OAHLLOKOSA-N 1 0 397.508 2.450 20 0 GEADRO C[NH+](C)CCCOc1cccc(NC(=O)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000821584592 606558791 /nfs/dbraw/zinc/55/87/91/606558791.db2.gz KGQIMPQHYQNVFH-UHFFFAOYSA-N 1 0 380.452 2.378 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820758903 606583622 /nfs/dbraw/zinc/58/36/22/606583622.db2.gz FSKIUFSGOIEELT-OXJNMPFZSA-N 1 0 390.491 2.436 20 0 GEADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccc([S@@](C)=O)cc1 ZINC000821611171 606616392 /nfs/dbraw/zinc/61/63/92/606616392.db2.gz ULQSKEDFTDLIGV-HHHXNRCGSA-N 1 0 380.477 2.489 20 0 GEADRO O=C1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCN1CCCc1ccccc1 ZINC000823512316 606628980 /nfs/dbraw/zinc/62/89/80/606628980.db2.gz MUOUQSPWRMPRNX-QGZVFWFLSA-N 1 0 382.493 2.252 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1CCCc1ccccc1 ZINC000823512582 606629452 /nfs/dbraw/zinc/62/94/52/606629452.db2.gz OYPCMOZZUXLQCK-IBGZPJMESA-N 1 0 376.464 2.190 20 0 GEADRO Cc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(OC(C)(C)C)c1 ZINC000822238360 606635123 /nfs/dbraw/zinc/63/51/23/606635123.db2.gz DKXCLUNQMUMCMF-AWEZNQCLSA-N 1 0 396.499 2.380 20 0 GEADRO CC(C)[N@H+](CCO)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2 ZINC000820727149 606646253 /nfs/dbraw/zinc/64/62/53/606646253.db2.gz HKTRJOLLZACCBH-GFCCVEGCSA-N 1 0 392.529 2.084 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccsc1 ZINC000821580056 606668682 /nfs/dbraw/zinc/66/86/82/606668682.db2.gz XWSCMSHAHMMEJW-CYBMUJFWSA-N 1 0 378.408 2.239 20 0 GEADRO 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C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820411874 606715900 /nfs/dbraw/zinc/71/59/00/606715900.db2.gz KAIPJJFWJYBJTQ-SQWYCQTGSA-N 1 0 390.875 2.394 20 0 GEADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000820760636 606748568 /nfs/dbraw/zinc/74/85/68/606748568.db2.gz RITVBOGCHZATFQ-GJZGRUSLSA-N 1 0 391.479 2.148 20 0 GEADRO COC(=O)[C@@H](C)[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000821638969 606770576 /nfs/dbraw/zinc/77/05/76/606770576.db2.gz MAVVSHMPUFEKGX-KSSFIOAISA-N 1 0 381.436 2.386 20 0 GEADRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000822982269 606774406 /nfs/dbraw/zinc/77/44/06/606774406.db2.gz DAQBBCVHLHHGKI-IBGZPJMESA-N 1 0 376.464 2.190 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC1CCSCC1 ZINC000821586318 606801311 /nfs/dbraw/zinc/80/13/11/606801311.db2.gz SJPUSCZYMNTMKT-UHFFFAOYSA-N 1 0 388.541 2.290 20 0 GEADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820752403 606815723 /nfs/dbraw/zinc/81/57/23/606815723.db2.gz MSPXOGZAGNXKFK-QAPCUYQASA-N 1 0 386.500 2.261 20 0 GEADRO CC(=O)Oc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000819828162 606821667 /nfs/dbraw/zinc/82/16/67/606821667.db2.gz ZYZWMJBMHUNQTQ-UHFFFAOYSA-N 1 0 392.463 2.110 20 0 GEADRO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000822309133 606844755 /nfs/dbraw/zinc/84/47/55/606844755.db2.gz MTGFUCMADNVVOS-HXUWFJFHSA-N 1 0 378.480 2.339 20 0 GEADRO O[C@@H](C[NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682548 606844953 /nfs/dbraw/zinc/84/49/53/606844953.db2.gz RHKGGQXLDKUOBQ-MSOLQXFVSA-N 1 0 382.468 2.310 20 0 GEADRO O[C@H](C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681766 606854594 /nfs/dbraw/zinc/85/45/94/606854594.db2.gz KJBQAURAPCVLQT-HXUWFJFHSA-N 1 0 387.447 2.144 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681523 606854758 /nfs/dbraw/zinc/85/47/58/606854758.db2.gz FTGJLAJBZCGPON-IBGZPJMESA-N 1 0 379.464 2.238 20 0 GEADRO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822496377 606861165 /nfs/dbraw/zinc/86/11/65/606861165.db2.gz KYMZRXQNGPYEMF-HUUCEWRRSA-N 1 0 387.875 2.433 20 0 GEADRO CCC[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821040866 606861502 /nfs/dbraw/zinc/86/15/02/606861502.db2.gz TZKVMMSMECJZBW-OAHLLOKOSA-N 1 0 397.483 2.101 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000823802522 606870260 /nfs/dbraw/zinc/87/02/60/606870260.db2.gz RIDUJVBINYOOSH-CZUORRHYSA-N 1 0 392.467 2.141 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000823802523 606870297 /nfs/dbraw/zinc/87/02/97/606870297.db2.gz RIDUJVBINYOOSH-XJKSGUPXSA-N 1 0 392.467 2.141 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000823802521 606870460 /nfs/dbraw/zinc/87/04/60/606870460.db2.gz RIDUJVBINYOOSH-CJNGLKHVSA-N 1 0 392.467 2.141 20 0 GEADRO CC[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1COc2ccccc2O1 ZINC000821207542 606883458 /nfs/dbraw/zinc/88/34/58/606883458.db2.gz PSGVIFZODGYPMS-SJORKVTESA-N 1 0 381.436 2.062 20 0 GEADRO C[N@H+](CCCOC(=O)COc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000821600575 606897296 /nfs/dbraw/zinc/89/72/96/606897296.db2.gz SZMMAXJKLBXPOH-UHFFFAOYSA-N 1 0 381.436 2.311 20 0 GEADRO COCCCOC1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821687989 606903777 /nfs/dbraw/zinc/90/37/77/606903777.db2.gz YRTMLPPWTFFCLI-UHFFFAOYSA-N 1 0 375.473 2.153 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)COc2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820656526 606903803 /nfs/dbraw/zinc/90/38/03/606903803.db2.gz FXVPLQTYVBPLPE-WBVHZDCISA-N 1 0 392.463 2.025 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000820753146 606904566 /nfs/dbraw/zinc/90/45/66/606904566.db2.gz WZIMSIVOSGJJAM-KSSFIOAISA-N 1 0 384.484 2.015 20 0 GEADRO CCN(C[C@H]1CC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1)CC(F)(F)F ZINC000821197890 606907166 /nfs/dbraw/zinc/90/71/66/606907166.db2.gz NNYVPACMWPOBQW-CJNGLKHVSA-N 1 0 398.433 2.106 20 0 GEADRO CCc1nnc(N2CC[NH+](CCc3ccccc3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821529232 606909152 /nfs/dbraw/zinc/90/91/52/606909152.db2.gz VUIDKAVYEHBRFE-UHFFFAOYSA-N 1 0 392.511 2.146 20 0 GEADRO O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681955 606923969 /nfs/dbraw/zinc/92/39/69/606923969.db2.gz LLUAWPOTOHGQKX-XUVXKRRUSA-N 1 0 379.464 2.488 20 0 GEADRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000820268420 606926572 /nfs/dbraw/zinc/92/65/72/606926572.db2.gz CFIOYKCHFBUTRE-AWEZNQCLSA-N 1 0 390.488 2.481 20 0 GEADRO CCc1nnc(N2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)c(-c2nn[nH]n2)c1CC ZINC000821520876 606926835 /nfs/dbraw/zinc/92/68/35/606926835.db2.gz BJWNGMKJCJCIDL-AWEZNQCLSA-N 1 0 393.499 2.423 20 0 GEADRO OCC[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCc2ccccc21 ZINC000823722636 606927494 /nfs/dbraw/zinc/92/74/94/606927494.db2.gz VEDCOJOVYUYBHH-WOJBJXKFSA-N 1 0 379.464 2.272 20 0 GEADRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCC2 ZINC000821362152 606934589 /nfs/dbraw/zinc/93/45/89/606934589.db2.gz YQWQJLVAUYPCGE-SJORKVTESA-N 1 0 384.484 2.475 20 0 GEADRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821360124 606935073 /nfs/dbraw/zinc/93/50/73/606935073.db2.gz QCVZONYETXVOQG-DLBZAZTESA-N 1 0 384.484 2.475 20 0 GEADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)ccc1S(C)(=O)=O ZINC000821707878 606999541 /nfs/dbraw/zinc/99/95/41/606999541.db2.gz GLGXFFKNFWJFFX-GFCCVEGCSA-N 1 0 387.465 2.130 20 0 GEADRO C[N@H+](CCNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000821602839 607001199 /nfs/dbraw/zinc/00/11/99/607001199.db2.gz XNDDCYDWBIGOQT-UHFFFAOYSA-N 1 0 394.479 2.272 20 0 GEADRO O[C@]12CCCC[C@H]1C[N@H+](Cn1ccc(-c3ccc(-c4nn[nH]n4)cc3)n1)CC2 ZINC000823697145 607003126 /nfs/dbraw/zinc/00/31/26/607003126.db2.gz JTRYAGDVMIYUCB-PXNSSMCTSA-N 1 0 379.468 2.315 20 0 GEADRO C[N@H+](CCNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000821602744 607007955 /nfs/dbraw/zinc/00/79/55/607007955.db2.gz RTNJBZWYPWWQTC-UHFFFAOYSA-N 1 0 386.500 2.405 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)CSc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821579654 607010611 /nfs/dbraw/zinc/01/06/11/607010611.db2.gz JNEOYPOOGJFRMD-QGZVFWFLSA-N 1 0 382.493 2.378 20 0 GEADRO C[NH+](C)CCC1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821584906 607027889 /nfs/dbraw/zinc/02/78/89/607027889.db2.gz XLWGBTWIHFTVIQ-UHFFFAOYSA-N 1 0 386.500 2.214 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821088336 607050184 /nfs/dbraw/zinc/05/01/84/607050184.db2.gz LJMJUSLABXIPPD-HNNXBMFYSA-N 1 0 386.500 2.214 20 0 GEADRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000819939551 607057571 /nfs/dbraw/zinc/05/75/71/607057571.db2.gz GDUROJUEVXWESK-UHFFFAOYSA-N 1 0 376.436 2.495 20 0 GEADRO O=C(NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1ccsc1 ZINC000823154835 607061546 /nfs/dbraw/zinc/06/15/46/607061546.db2.gz LDWDAOYNEKFUGI-UHFFFAOYSA-N 1 0 386.456 2.462 20 0 GEADRO C[C@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820760743 607063873 /nfs/dbraw/zinc/06/38/73/607063873.db2.gz SRUXPYHPIORNNS-MGPUTAFESA-N 1 0 396.470 2.246 20 0 GEADRO Cc1ccnc(N2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000822373819 607076806 /nfs/dbraw/zinc/07/68/06/607076806.db2.gz DCEYWFUDESRUJS-UHFFFAOYSA-N 1 0 379.468 2.161 20 0 GEADRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822496493 607092173 /nfs/dbraw/zinc/09/21/73/607092173.db2.gz OESKKGSQHFLCKH-QGZVFWFLSA-N 1 0 380.456 2.074 20 0 GEADRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820958708 607106734 /nfs/dbraw/zinc/10/67/34/607106734.db2.gz XQPIBMFBKMEIKD-DLBZAZTESA-N 1 0 386.500 2.008 20 0 GEADRO COC(=O)CC1([NH2+]Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CCCCC1 ZINC000821658709 607120676 /nfs/dbraw/zinc/12/06/76/607120676.db2.gz FZJKYMORRSKAPS-UHFFFAOYSA-N 1 0 397.439 2.272 20 0 GEADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000823350649 607165656 /nfs/dbraw/zinc/16/56/56/607165656.db2.gz VPTWFQPAKPJYHY-UHFFFAOYSA-N 1 0 393.451 2.379 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821624087 607193058 /nfs/dbraw/zinc/19/30/58/607193058.db2.gz YTVMBMMDCDYHNJ-IRXDYDNUSA-N 1 0 386.525 2.043 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000822217756 607194334 /nfs/dbraw/zinc/19/43/34/607194334.db2.gz MTNGEVBDJCPIFJ-QZTJIDSGSA-N 1 0 399.499 2.065 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000822217757 607194419 /nfs/dbraw/zinc/19/44/19/607194419.db2.gz MTNGEVBDJCPIFJ-ROUUACIJSA-N 1 0 399.499 2.065 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000820649454 607233349 /nfs/dbraw/zinc/23/33/49/607233349.db2.gz LYMXIJCMQCKKTG-GRYCIOLGSA-N 1 0 377.880 2.011 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1ccc(F)cc1 ZINC000821579805 607233606 /nfs/dbraw/zinc/23/36/06/607233606.db2.gz OFVNZCSECSQBSA-CQSZACIVSA-N 1 0 389.822 2.087 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820804590 607238132 /nfs/dbraw/zinc/23/81/32/607238132.db2.gz VMRXCUIGSRKYJK-ZBFHGGJFSA-N 1 0 384.484 2.109 20 0 GEADRO CC1CC[NH+](C2CCC(NC(=O)CNc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824953563 607775011 /nfs/dbraw/zinc/77/50/11/607775011.db2.gz FTKNDLSSURBZEZ-UHFFFAOYSA-N 1 0 397.527 2.438 20 0 GEADRO COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[N@@H+]2C)cc1 ZINC000826190134 607778411 /nfs/dbraw/zinc/77/84/11/607778411.db2.gz QLYDFTXXQIGOBK-DYVFJYSZSA-N 1 0 382.424 2.053 20 0 GEADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000825459027 607835041 /nfs/dbraw/zinc/83/50/41/607835041.db2.gz HDOAKMWVYKTVPY-JTQLQIEISA-N 1 0 383.378 2.443 20 0 GEADRO CC[C@@H]1CN(c2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000825211349 607841128 /nfs/dbraw/zinc/84/11/28/607841128.db2.gz MHNQBKQAMMAYJI-VXGBXAGGSA-N 1 0 384.406 2.167 20 0 GEADRO CC[C@@H]1CN(c2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@H](C)O ZINC000825211346 607841184 /nfs/dbraw/zinc/84/11/84/607841184.db2.gz MHNQBKQAMMAYJI-NWDGAFQWSA-N 1 0 384.406 2.167 20 0 GEADRO c1ccc2c(c1)nc(N1CC[C@@H](OCC[NH+]3CCCCC3)C1)cc2-c1nn[nH]n1 ZINC000826522734 607849303 /nfs/dbraw/zinc/84/93/03/607849303.db2.gz MCHTYCYIWIKGRT-MRXNPFEDSA-N 1 0 393.495 2.496 20 0 GEADRO O=C(C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826409823 607858783 /nfs/dbraw/zinc/85/87/83/607858783.db2.gz QKHWNBRTIJRWLL-LJQANCHMSA-N 1 0 392.463 2.078 20 0 GEADRO c1cc(-c2nnc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000826512442 607859477 /nfs/dbraw/zinc/85/94/77/607859477.db2.gz AJXCFIWFWYYEOD-INIZCTEOSA-N 1 0 381.440 2.165 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000826185464 607918434 /nfs/dbraw/zinc/91/84/34/607918434.db2.gz KUMVENXDDMSFJG-HNNXBMFYSA-N 1 0 385.472 2.071 20 0 GEADRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825434622 607920718 /nfs/dbraw/zinc/92/07/18/607920718.db2.gz BTDDIGBRMXCDHM-UHFFFAOYSA-N 1 0 395.419 2.404 20 0 GEADRO COc1ccc([C@H](CNc2ccc(-c3nn[nH]n3)nn2)[NH+]2CCCCC2)cc1 ZINC000826189414 607987748 /nfs/dbraw/zinc/98/77/48/607987748.db2.gz VEKDSJDTJAJMJV-KRWDZBQOSA-N 1 0 380.456 2.304 20 0 GEADRO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21 ZINC000824807557 607989561 /nfs/dbraw/zinc/98/95/61/607989561.db2.gz IUAADOUOFRADOT-QGZVFWFLSA-N 1 0 379.464 2.400 20 0 GEADRO Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1C ZINC000826290659 607991379 /nfs/dbraw/zinc/99/13/79/607991379.db2.gz UIQSLPKNXGERKJ-FQEVSTJZSA-N 1 0 378.480 2.339 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826029106 608007172 /nfs/dbraw/zinc/00/71/72/608007172.db2.gz OIUXQMXFMKXIRH-AZUAARDMSA-N 1 0 376.464 2.361 20 0 GEADRO Clc1ccc2ncc(-c3nn[nH]n3)c(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000826352969 608016367 /nfs/dbraw/zinc/01/63/67/608016367.db2.gz WCXVJAMNCKFBIR-AWEZNQCLSA-N 1 0 399.886 2.155 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2ccc(Cl)s2)c1-c1nn[nH]n1 ZINC000826073435 608019487 /nfs/dbraw/zinc/01/94/87/608019487.db2.gz RPNFTEDDBNBZIP-QMMMGPOBSA-N 1 0 394.892 2.199 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccccc2F)c1-c1nn[nH]n1 ZINC000826077339 608020557 /nfs/dbraw/zinc/02/05/57/608020557.db2.gz DTZIYAQBCMOKPP-LLVKDONJSA-N 1 0 386.435 2.013 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccccc2)C(C)C)c1-c1nn[nH]n1 ZINC000826073198 608020736 /nfs/dbraw/zinc/02/07/36/608020736.db2.gz JCKVGNZWRCEUGJ-OAHLLOKOSA-N 1 0 382.472 2.120 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)c1-c1nn[nH]n1 ZINC000826077632 608022099 /nfs/dbraw/zinc/02/20/99/608022099.db2.gz OSASPPXQEIAUNK-UHFFFAOYSA-N 1 0 393.455 2.092 20 0 GEADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000825934364 608035581 /nfs/dbraw/zinc/03/55/81/608035581.db2.gz OMLCUWQEHMCPDL-UHFFFAOYSA-N 1 0 397.418 2.031 20 0 GEADRO CCCCCC[N@H+](C)CC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825270957 608084401 /nfs/dbraw/zinc/08/44/01/608084401.db2.gz FKAHUKVAUMIKCQ-SFHVURJKSA-N 1 0 386.500 2.279 20 0 GEADRO Fc1ccccc1N1CCC[C@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826378459 608101371 /nfs/dbraw/zinc/10/13/71/608101371.db2.gz LCCPVHLMMBOLAJ-HNNXBMFYSA-N 1 0 392.442 2.412 20 0 GEADRO COc1ccc(CNc2ccccc2N2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000826203802 608112151 /nfs/dbraw/zinc/11/21/51/608112151.db2.gz GTTRTVZTTRITFR-UHFFFAOYSA-N 1 0 379.468 2.239 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC000824109863 608113784 /nfs/dbraw/zinc/11/37/84/608113784.db2.gz XPOBEKNQJLEYLE-OAHLLOKOSA-N 1 0 376.436 2.399 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C[C@H]21 ZINC000824109017 608129591 /nfs/dbraw/zinc/12/95/91/608129591.db2.gz MGXLTKSXOIYMRK-ARFHVFGLSA-N 1 0 399.499 2.387 20 0 GEADRO C[C@@H](C[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1)c1nccs1 ZINC000824414086 608131959 /nfs/dbraw/zinc/13/19/59/608131959.db2.gz TVZNFNMNLHVSDX-JTQLQIEISA-N 1 0 377.499 2.449 20 0 GEADRO Cc1sc(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c(-c2nn[nH]n2)c1C ZINC000826349401 608133226 /nfs/dbraw/zinc/13/32/26/608133226.db2.gz GYVGITJDTMEVPK-YOEHRIQHSA-N 1 0 376.486 2.031 20 0 GEADRO c1cn(CCC[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)nn1 ZINC000826516614 608135970 /nfs/dbraw/zinc/13/59/70/608135970.db2.gz SLXNDFQFKNNORP-UHFFFAOYSA-N 1 0 390.451 2.217 20 0 GEADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000824857155 608201119 /nfs/dbraw/zinc/20/11/19/608201119.db2.gz BREWEWCFYSCHHF-UONOGXRCSA-N 1 0 393.451 2.219 20 0 GEADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000826417068 608248983 /nfs/dbraw/zinc/24/89/83/608248983.db2.gz CICUVQAANCNTQV-OAHLLOKOSA-N 1 0 383.408 2.046 20 0 GEADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826408653 608251091 /nfs/dbraw/zinc/25/10/91/608251091.db2.gz PRGCLKJWNPQLPM-UHFFFAOYSA-N 1 0 391.479 2.227 20 0 GEADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826402294 608251144 /nfs/dbraw/zinc/25/11/44/608251144.db2.gz QJOCFYRTXKDELZ-AATRIKPKSA-N 1 0 389.463 2.308 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000825444192 608255673 /nfs/dbraw/zinc/25/56/73/608255673.db2.gz JVRKPSXVRJQPPI-QWHCGFSZSA-N 1 0 391.907 2.263 20 0 GEADRO c1ccc(-c2nn[nH]n2)c(OCC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000826519540 608258675 /nfs/dbraw/zinc/25/86/75/608258675.db2.gz CHVZXYMAABELAF-AWEZNQCLSA-N 1 0 380.456 2.121 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)cc1-c1nn[nH]n1 ZINC000826194726 608258815 /nfs/dbraw/zinc/25/88/15/608258815.db2.gz UMFPVPXSNXXGSR-OAHLLOKOSA-N 1 0 382.472 2.427 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000826169069 608258869 /nfs/dbraw/zinc/25/88/69/608258869.db2.gz HGJSRSDCLIHOGA-MRXNPFEDSA-N 1 0 382.472 2.427 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826202017 608286528 /nfs/dbraw/zinc/28/65/28/608286528.db2.gz LXLBLNFPCAULEC-KDOFPFPSSA-N 1 0 392.463 2.155 20 0 GEADRO CCC[C@@H]1CN(c2nc3ccccc3cc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825259574 608303759 /nfs/dbraw/zinc/30/37/59/608303759.db2.gz JJLKFCFQWOBECX-MRXNPFEDSA-N 1 0 381.484 2.352 20 0 GEADRO CCC[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825261337 608304112 /nfs/dbraw/zinc/30/41/12/608304112.db2.gz XDTIEZSSNTYFEV-GFCCVEGCSA-N 1 0 399.421 2.218 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000826331945 608310373 /nfs/dbraw/zinc/31/03/73/608310373.db2.gz FBRQNRIQDSOMBI-SFHVURJKSA-N 1 0 392.511 2.421 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000826331974 608313035 /nfs/dbraw/zinc/31/30/35/608313035.db2.gz FVTNJGRUCXUGNM-SFHVURJKSA-N 1 0 392.511 2.421 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826332060 608314947 /nfs/dbraw/zinc/31/49/47/608314947.db2.gz ILJGINAVQOIIGC-MAUKXSAKSA-N 1 0 392.511 2.419 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000826332624 608315530 /nfs/dbraw/zinc/31/55/30/608315530.db2.gz ZVUOJDSFFLFOAO-KRWDZBQOSA-N 1 0 392.511 2.279 20 0 GEADRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825981817 608316724 /nfs/dbraw/zinc/31/67/24/608316724.db2.gz YLJSIJSFVSFOSC-UHFFFAOYSA-N 1 0 393.495 2.305 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1-c1nn[nH]n1 ZINC000826332344 608317767 /nfs/dbraw/zinc/31/77/67/608317767.db2.gz QYEMJXAHHYLKEN-QGZVFWFLSA-N 1 0 378.484 2.031 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407725 608324509 /nfs/dbraw/zinc/32/45/09/608324509.db2.gz YCVJKQDQVRFMJN-KBPBESRZSA-N 1 0 390.513 2.395 20 0 GEADRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000825233813 608355674 /nfs/dbraw/zinc/35/56/74/608355674.db2.gz SCTIDJPZZUWMMI-PBHICJAKSA-N 1 0 386.500 2.392 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](CCc2cccs2)CC1 ZINC000826169026 608357040 /nfs/dbraw/zinc/35/70/40/608357040.db2.gz GGPOUCMCCSLZHZ-UHFFFAOYSA-N 1 0 384.509 2.297 20 0 GEADRO C[NH+](C)[C@H](CNc1c(-c2nn[nH]n2)cnc2ccc(OC(F)F)cc21)C1CC1 ZINC000825851574 608377766 /nfs/dbraw/zinc/37/77/66/608377766.db2.gz WEYJKFSDWXGZBN-OAHLLOKOSA-N 1 0 389.410 2.190 20 0 GEADRO CS[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2Br)C[C@H]1[NH+](C)C ZINC000826227751 608382699 /nfs/dbraw/zinc/38/26/99/608382699.db2.gz XDEGNCRZOWGXND-CHWSQXEVSA-N 1 0 383.319 2.111 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826435371 608418869 /nfs/dbraw/zinc/41/88/69/608418869.db2.gz MVGMFYVABOFPIT-OAHLLOKOSA-N 1 0 393.495 2.150 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826029555 608419494 /nfs/dbraw/zinc/41/94/94/608419494.db2.gz TXMUMWDMAQTTLA-OAHLLOKOSA-N 1 0 381.484 2.007 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000826183853 608428615 /nfs/dbraw/zinc/42/86/15/608428615.db2.gz CBVNHYGUGOHCPP-CYBMUJFWSA-N 1 0 376.424 2.307 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000826184287 608429394 /nfs/dbraw/zinc/42/93/94/608429394.db2.gz RITBWQUEZUJHNY-IBGZPJMESA-N 1 0 394.479 2.038 20 0 GEADRO COc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1 ZINC000826188597 608429419 /nfs/dbraw/zinc/42/94/19/608429419.db2.gz BFJBTGJFVNMALD-HXUWFJFHSA-N 1 0 394.479 2.478 20 0 GEADRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000826283845 608430108 /nfs/dbraw/zinc/43/01/08/608430108.db2.gz CLEXMMRRVGTPKJ-FQEVSTJZSA-N 1 0 396.470 2.477 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000826176544 608430951 /nfs/dbraw/zinc/43/09/51/608430951.db2.gz UBZMPIJOXZPKOD-LBPRGKRZSA-N 1 0 383.408 2.334 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1F ZINC000824571490 608433379 /nfs/dbraw/zinc/43/33/79/608433379.db2.gz QVNZJLKPNLYLKP-YPMHNXCESA-N 1 0 375.379 2.235 20 0 GEADRO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ccc(-c2nn[nH]n2)nn1 ZINC000825061493 608435864 /nfs/dbraw/zinc/43/58/64/608435864.db2.gz XSNBXNNERMNXAG-KDOFPFPSSA-N 1 0 393.499 2.097 20 0 GEADRO C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1n1ccnc1 ZINC000824957824 608453105 /nfs/dbraw/zinc/45/31/05/608453105.db2.gz ZQEVVXDIOQIORY-JSGCOSHPSA-N 1 0 386.485 2.036 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564475 608459578 /nfs/dbraw/zinc/45/95/78/608459578.db2.gz UKWLHYQFVLXZLV-CXAGYDPISA-N 1 0 378.436 2.157 20 0 GEADRO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000825296620 608466987 /nfs/dbraw/zinc/46/69/87/608466987.db2.gz QPNLMIRWIXUFEN-LLVKDONJSA-N 1 0 386.485 2.350 20 0 GEADRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000825140495 608470757 /nfs/dbraw/zinc/47/07/57/608470757.db2.gz JZVHITYZEDYPFN-DLBZAZTESA-N 1 0 381.436 2.412 20 0 GEADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825649520 608471823 /nfs/dbraw/zinc/47/18/23/608471823.db2.gz RAEVFEVHMLEASF-CQSZACIVSA-N 1 0 380.452 2.232 20 0 GEADRO CCOc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825643261 608487589 /nfs/dbraw/zinc/48/75/89/608487589.db2.gz JUYYDJJRDFUXTA-PBHICJAKSA-N 1 0 383.452 2.356 20 0 GEADRO Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826299518 608488057 /nfs/dbraw/zinc/48/80/57/608488057.db2.gz IYTCPKCFVIARCO-CQSZACIVSA-N 1 0 393.451 2.482 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000824554390 608489072 /nfs/dbraw/zinc/48/90/72/608489072.db2.gz PGHRRIRLSBMRAG-CQSZACIVSA-N 1 0 398.442 2.194 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554969 608489192 /nfs/dbraw/zinc/48/91/92/608489192.db2.gz UCFBSEPQYYMDKF-SMDDNHRTSA-N 1 0 382.390 2.318 20 0 GEADRO COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826207003 608491586 /nfs/dbraw/zinc/49/15/86/608491586.db2.gz VXGZBVRWKAFNGD-KSSFIOAISA-N 1 0 383.452 2.104 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1cccc(-c2nn[nH]n2)c1 ZINC000824562035 608493593 /nfs/dbraw/zinc/49/35/93/608493593.db2.gz BWFWYQNDBVYHSZ-NSHDSACASA-N 1 0 383.481 2.491 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000826184272 608494109 /nfs/dbraw/zinc/49/41/09/608494109.db2.gz QVWSPNDQMOAFOJ-LBPRGKRZSA-N 1 0 378.436 2.245 20 0 GEADRO COCCOc1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cn1 ZINC000826162790 608502305 /nfs/dbraw/zinc/50/23/05/608502305.db2.gz RXUUTTVBLYVDIW-SFHVURJKSA-N 1 0 380.452 2.454 20 0 GEADRO CCc1nn(C)c(CC)c1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000825754989 608514470 /nfs/dbraw/zinc/51/44/70/608514470.db2.gz MMWAJRRARSVNAL-UHFFFAOYSA-N 1 0 380.500 2.047 20 0 GEADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000826517859 608518823 /nfs/dbraw/zinc/51/88/23/608518823.db2.gz QYILBDMRFIAJRK-SLFFLAALSA-N 1 0 382.512 2.477 20 0 GEADRO c1cnnc(N2CCC[C@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)c1 ZINC000826525810 608522492 /nfs/dbraw/zinc/52/24/92/608522492.db2.gz ABBHVNUFAROHJD-FUHWJXTLSA-N 1 0 376.468 2.293 20 0 GEADRO O=C1[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCCN1CC(F)(F)F ZINC000826476579 608524980 /nfs/dbraw/zinc/52/49/80/608524980.db2.gz KQIUZPMRCIJAHW-CABCVRRESA-N 1 0 394.401 2.387 20 0 GEADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826507045 608525643 /nfs/dbraw/zinc/52/56/43/608525643.db2.gz HWSCVZBYPXOHNE-YSIASYRMSA-N 1 0 379.464 2.318 20 0 GEADRO Cn1nc(C(C)(C)C)cc1NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826366053 608530911 /nfs/dbraw/zinc/53/09/11/608530911.db2.gz QKBVYIPBSPOSRX-UHFFFAOYSA-N 1 0 394.483 2.115 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1nc2c(s1)CCCC2 ZINC000826412580 608534205 /nfs/dbraw/zinc/53/42/05/608534205.db2.gz UMEAZARIAPTOOG-UHFFFAOYSA-N 1 0 395.492 2.419 20 0 GEADRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826282825 608552574 /nfs/dbraw/zinc/55/25/74/608552574.db2.gz CXVPNCNICFKJIG-CYBMUJFWSA-N 1 0 389.456 2.439 20 0 GEADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825492598 608580827 /nfs/dbraw/zinc/58/08/27/608580827.db2.gz HBJKTIQHWCNFSK-CHWSQXEVSA-N 1 0 383.374 2.463 20 0 GEADRO CN(CC[N@H+](C)CCCOc1ccc(-c2nn[nH]n2)cc1)C(=O)OC(C)(C)C ZINC000825923843 608582591 /nfs/dbraw/zinc/58/25/91/608582591.db2.gz YPPLYZWMEAIINA-UHFFFAOYSA-N 1 0 390.488 2.434 20 0 GEADRO CN(CC[N@H+](C)CCCOc1cccc(-c2nn[nH]n2)c1)C(=O)OC(C)(C)C ZINC000825923739 608582626 /nfs/dbraw/zinc/58/26/26/608582626.db2.gz TYMVJYJXVUCWRU-UHFFFAOYSA-N 1 0 390.488 2.434 20 0 GEADRO O=C1[C@@H]([NH+]2CCC(c3cccnc3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476312 608585011 /nfs/dbraw/zinc/58/50/11/608585011.db2.gz FHVGCVCJQYKXNM-IBGZPJMESA-N 1 0 389.463 2.247 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000825621178 608600645 /nfs/dbraw/zinc/60/06/45/608600645.db2.gz OONYORVGTRAORY-UHFFFAOYSA-N 1 0 385.472 2.358 20 0 GEADRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825285087 608619803 /nfs/dbraw/zinc/61/98/03/608619803.db2.gz IYAUKQYEKJQVRN-ZBFHGGJFSA-N 1 0 396.499 2.031 20 0 GEADRO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000826454336 608658563 /nfs/dbraw/zinc/65/85/63/608658563.db2.gz SGXGNYIXZZGLOT-CYBMUJFWSA-N 1 0 387.444 2.463 20 0 GEADRO CN(C)c1ncc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000825884282 608680523 /nfs/dbraw/zinc/68/05/23/608680523.db2.gz XVGHKCPXCQCZMA-UHFFFAOYSA-N 1 0 385.497 2.433 20 0 GEADRO CC[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@H](O)c1ccc(C)cc1 ZINC000825445287 608723501 /nfs/dbraw/zinc/72/35/01/608723501.db2.gz ZIMDHUISVMBOLY-SFHVURJKSA-N 1 0 377.452 2.378 20 0 GEADRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824616937 609133765 /nfs/dbraw/zinc/13/37/65/609133765.db2.gz BOLCTDSPOHXOTA-ZDUSSCGKSA-N 1 0 398.442 2.324 20 0 GEADRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824531629 609142193 /nfs/dbraw/zinc/14/21/93/609142193.db2.gz PSZAXWGQXSRWGI-SCLBCKFNSA-N 1 0 382.443 2.356 20 0 GEADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824531631 609142386 /nfs/dbraw/zinc/14/23/86/609142386.db2.gz PSZAXWGQXSRWGI-UGSOOPFHSA-N 1 0 382.443 2.356 20 0 GEADRO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584636 609151751 /nfs/dbraw/zinc/15/17/51/609151751.db2.gz CXXWEKVRLXMZGN-CYBMUJFWSA-N 1 0 396.426 2.472 20 0 GEADRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826329561 609169977 /nfs/dbraw/zinc/16/99/77/609169977.db2.gz ILNVACZQXADWCP-ACJLOTCBSA-N 1 0 392.467 2.120 20 0 GEADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826244031 609170510 /nfs/dbraw/zinc/17/05/10/609170510.db2.gz FHYHSCOSYKBPTP-UHFFFAOYSA-N 1 0 398.511 2.140 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826021917 609170606 /nfs/dbraw/zinc/17/06/06/609170606.db2.gz DYTIHJCXKYZKRW-UHFFFAOYSA-N 1 0 386.500 2.264 20 0 GEADRO CC1CC[NH+]([C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c2cccs2)CC1 ZINC000824955292 609190676 /nfs/dbraw/zinc/19/06/76/609190676.db2.gz NSCGPJFGPYADSI-HNNXBMFYSA-N 1 0 385.497 2.459 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cccc(OC)c1 ZINC000825406434 609193300 /nfs/dbraw/zinc/19/33/00/609193300.db2.gz NRVDCBZPEHERTC-QGZVFWFLSA-N 1 0 383.456 2.016 20 0 GEADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824530050 609221937 /nfs/dbraw/zinc/22/19/37/609221937.db2.gz JEAJLHWCYPASKK-RDTXWAMCSA-N 1 0 394.479 2.146 20 0 GEADRO OC1CCN(c2ccc(NC3CC[NH+](CC4CC4)CC3)cc2-c2nn[nH]n2)CC1 ZINC000826507649 609240981 /nfs/dbraw/zinc/24/09/81/609240981.db2.gz SREMDYIEJWPLOP-UHFFFAOYSA-N 1 0 397.527 2.114 20 0 GEADRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824662593 609247134 /nfs/dbraw/zinc/24/71/34/609247134.db2.gz NRCFVOAIMNZHSN-LIRRHRJNSA-N 1 0 391.479 2.490 20 0 GEADRO CC1CC[NH+](C2CCC(NC(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824955922 609255013 /nfs/dbraw/zinc/25/50/13/609255013.db2.gz PHWGSBDYNYBWPL-ACBHZAAOSA-N 1 0 398.511 2.059 20 0 GEADRO C[C@H](OC(=O)c1cc(-c2nn[nH]n2)cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824723336 609263933 /nfs/dbraw/zinc/26/39/33/609263933.db2.gz PXXOUTBMVCJTCC-HOCLYGCPSA-N 1 0 380.452 2.273 20 0 GEADRO O=C(C[N@@H+]1CCC[C@H]1C1CCOCC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826410275 609284194 /nfs/dbraw/zinc/28/41/94/609284194.db2.gz IVMKJIMBCZBUMI-INIZCTEOSA-N 1 0 390.875 2.350 20 0 GEADRO Cn1cc(C[NH2+]CCCNc2ccccn2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361859 609341851 /nfs/dbraw/zinc/34/18/51/609341851.db2.gz SIJZFAKBFUFORW-UHFFFAOYSA-N 1 0 389.467 2.254 20 0 GEADRO Cc1cccc([C@@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826297159 609342684 /nfs/dbraw/zinc/34/26/84/609342684.db2.gz XPAHCJGYTNFHIM-IBGZPJMESA-N 1 0 389.463 2.399 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000823820180 609357148 /nfs/dbraw/zinc/35/71/48/609357148.db2.gz BLPVACXHFKKUNI-CQSZACIVSA-N 1 0 377.290 2.299 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000823821227 609360133 /nfs/dbraw/zinc/36/01/33/609360133.db2.gz PQEKKQDEFHEWQZ-AWEZNQCLSA-N 1 0 388.273 2.490 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825000521 609362026 /nfs/dbraw/zinc/36/20/26/609362026.db2.gz RQLKILULJQGJIH-RISCZKNCSA-N 1 0 377.290 2.298 20 0 GEADRO COC(=O)C1=C(C)O[C@@H](C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826129250 609367445 /nfs/dbraw/zinc/36/74/45/609367445.db2.gz NBHPEYNPWJXZTD-QGZVFWFLSA-N 1 0 381.436 2.192 20 0 GEADRO COc1ccccc1C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826219576 609411534 /nfs/dbraw/zinc/41/15/34/609411534.db2.gz IJSWXUNPSAITSB-KRWDZBQOSA-N 1 0 378.436 2.161 20 0 GEADRO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@@H]2CCCO[C@@H]21 ZINC000824784145 609416275 /nfs/dbraw/zinc/41/62/75/609416275.db2.gz NWNXGCPZHUNALF-MLHJIOFPSA-N 1 0 396.495 2.155 20 0 GEADRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826306446 609428422 /nfs/dbraw/zinc/42/84/22/609428422.db2.gz ZCWCRSXSLRZOMY-INIZCTEOSA-N 1 0 386.843 2.090 20 0 GEADRO Cc1sc(NC(=O)C[NH2+][C@@H](CO)C2CCCCC2)c(-c2nn[nH]n2)c1C ZINC000826349485 609429141 /nfs/dbraw/zinc/42/91/41/609429141.db2.gz JGUKPAFAUXBMJQ-ZDUSSCGKSA-N 1 0 378.502 2.014 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(-n2ccnc2)c1 ZINC000824562021 609441319 /nfs/dbraw/zinc/44/13/19/609441319.db2.gz BCZKRHHRVOMNLR-LBPRGKRZSA-N 1 0 394.464 2.403 20 0 GEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2F)CC1 ZINC000825856213 609453776 /nfs/dbraw/zinc/45/37/76/609453776.db2.gz RPVQOVJGRGEOCF-UHFFFAOYSA-N 1 0 398.446 2.117 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824935438 609536403 /nfs/dbraw/zinc/53/64/03/609536403.db2.gz BCUHELYEYDUANQ-LBPRGKRZSA-N 1 0 398.920 2.063 20 0 GEADRO COCC[N@H+](C)CCOc1cccc(CNc2nccc(C)c2-c2nn[nH]n2)c1 ZINC000826158020 609546230 /nfs/dbraw/zinc/54/62/30/609546230.db2.gz WWMRGFNLBPCUTR-UHFFFAOYSA-N 1 0 397.483 2.139 20 0 GEADRO Cc1ccnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1-c1nn[nH]n1 ZINC000826315146 609555423 /nfs/dbraw/zinc/55/54/23/609555423.db2.gz ZLCNGCXURCMOAY-NSHDSACASA-N 1 0 383.485 2.115 20 0 GEADRO Cc1c(Cl)cnc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1-c1nn[nH]n1 ZINC000826240101 609586898 /nfs/dbraw/zinc/58/68/98/609586898.db2.gz BUDTXBUCZCULOT-HNNXBMFYSA-N 1 0 399.886 2.402 20 0 GEADRO CCc1ncc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000825750033 609599430 /nfs/dbraw/zinc/59/94/30/609599430.db2.gz IWEMJZQZOJZVAW-HNNXBMFYSA-N 1 0 383.481 2.171 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2cnc(C3CC3)s2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476559 609600937 /nfs/dbraw/zinc/60/09/37/609600937.db2.gz KKQLNUWPMSMJPI-INIZCTEOSA-N 1 0 395.492 2.486 20 0 GEADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826456235 609603450 /nfs/dbraw/zinc/60/34/50/609603450.db2.gz VWZJBOSRZJCMTI-UHFFFAOYSA-N 1 0 399.499 2.223 20 0 GEADRO Cc1cc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826261711 609627333 /nfs/dbraw/zinc/62/73/33/609627333.db2.gz PBELDYCQCVVLCV-INIZCTEOSA-N 1 0 395.467 2.392 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)C1CC1 ZINC000446541804 649983180 /nfs/dbraw/zinc/98/31/80/649983180.db2.gz SZZMHNFMOUKLOA-MRXNPFEDSA-N 1 0 394.313 2.333 20 0 GEADRO COC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCC1 ZINC000446748908 649987844 /nfs/dbraw/zinc/98/78/44/649987844.db2.gz VFHXAYNTRHMUTB-INIZCTEOSA-N 1 0 388.555 2.064 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](COC)C2CCOCC2)s1 ZINC000446824358 649989383 /nfs/dbraw/zinc/98/93/83/649989383.db2.gz FGBHTQLDNDBQBD-MRXNPFEDSA-N 1 0 390.571 2.310 20 0 GEADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)c[nH]1 ZINC000447058444 649996208 /nfs/dbraw/zinc/99/62/08/649996208.db2.gz IFNPTEOPBJAHEL-AWEZNQCLSA-N 1 0 392.253 2.459 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000447147224 649999493 /nfs/dbraw/zinc/99/94/93/649999493.db2.gz PLOAOFKYJZIECT-UHFFFAOYSA-N 1 0 393.285 2.440 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000447241928 650002937 /nfs/dbraw/zinc/00/29/37/650002937.db2.gz DEWRZMXGVZDBTL-MNOVXSKESA-N 1 0 377.304 2.185 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000447246857 650003314 /nfs/dbraw/zinc/00/33/14/650003314.db2.gz HNXURQSLISVZND-RKDXNWHRSA-N 1 0 397.722 2.469 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1Cl ZINC000447252781 650004125 /nfs/dbraw/zinc/00/41/25/650004125.db2.gz TVCITLZZOSEEOV-GMSGAONNSA-N 1 0 383.695 2.079 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000447521261 650007179 /nfs/dbraw/zinc/00/71/79/650007179.db2.gz VUCSXHWCSFAKIM-XJKCOSOUSA-N 1 0 396.329 2.460 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[NH2+]1 ZINC000447512133 650007192 /nfs/dbraw/zinc/00/71/92/650007192.db2.gz XDKOZFWNYPHVCQ-RISCZKNCSA-N 1 0 383.290 2.217 20 0 GEADRO Cc1nn(C)c(CNc2ccc(N3CC[NH+](C)CC3)nc2)c1Br ZINC000447898633 650010648 /nfs/dbraw/zinc/01/06/48/650010648.db2.gz XMYRAATVLMRFTF-UHFFFAOYSA-N 1 0 379.306 2.250 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447445854 650006853 /nfs/dbraw/zinc/00/68/53/650006853.db2.gz GDVWYXOXMOPZTF-DLBZAZTESA-N 1 0 398.345 2.408 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1Br ZINC000448322983 650015189 /nfs/dbraw/zinc/01/51/89/650015189.db2.gz VANALZVTSZZGGH-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000448860462 650024165 /nfs/dbraw/zinc/02/41/65/650024165.db2.gz PFJNCKMKCBJXTM-UHFFFAOYSA-N 1 0 378.274 2.101 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000448873383 650024429 /nfs/dbraw/zinc/02/44/29/650024429.db2.gz KEKUDOOEKTYAMT-CQSZACIVSA-N 1 0 396.329 2.004 20 0 GEADRO Cc1cc(C)c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Br ZINC000448875594 650024517 /nfs/dbraw/zinc/02/45/17/650024517.db2.gz SPEUXIHIRNDEAZ-AWEZNQCLSA-N 1 0 396.329 2.383 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000448977442 650027799 /nfs/dbraw/zinc/02/77/99/650027799.db2.gz SDFVHSMOUUBOIJ-LBPRGKRZSA-N 1 0 380.290 2.490 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000448977441 650027850 /nfs/dbraw/zinc/02/78/50/650027850.db2.gz SDFVHSMOUUBOIJ-GFCCVEGCSA-N 1 0 380.290 2.490 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449108103 650031588 /nfs/dbraw/zinc/03/15/88/650031588.db2.gz PQVVCSXJMDFIGC-UHFFFAOYSA-N 1 0 386.315 2.416 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@H](O)C(C)C ZINC000449151819 650032964 /nfs/dbraw/zinc/03/29/64/650032964.db2.gz BOMCFCZQMSCZKM-WFASDCNBSA-N 1 0 387.318 2.459 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000449252841 650035997 /nfs/dbraw/zinc/03/59/97/650035997.db2.gz TXBUXFCBTSEARM-DOMZBBRYSA-N 1 0 399.285 2.031 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(CCO)CC1 ZINC000449267342 650036928 /nfs/dbraw/zinc/03/69/28/650036928.db2.gz ZGSXEQBPYKIOAV-GFCCVEGCSA-N 1 0 385.302 2.215 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449269014 650037277 /nfs/dbraw/zinc/03/72/77/650037277.db2.gz LDYQPIISNSOIQE-CQSZACIVSA-N 1 0 391.306 2.447 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](CO)C1CC1 ZINC000449336392 650038952 /nfs/dbraw/zinc/03/89/52/650038952.db2.gz NCCVXFFRFDPGRD-SMDDNHRTSA-N 1 0 385.302 2.071 20 0 GEADRO O=c1ccc(Br)cn1CC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000449374956 650039136 /nfs/dbraw/zinc/03/91/36/650039136.db2.gz GVMUIHGFWIUXTP-UHFFFAOYSA-N 1 0 392.297 2.237 20 0 GEADRO Cc1nn(C)c(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1Br ZINC000449370027 650039186 /nfs/dbraw/zinc/03/91/86/650039186.db2.gz HOXZYFCRRSBJRD-UHFFFAOYSA-N 1 0 378.336 2.184 20 0 GEADRO Cc1cc(Br)cn2c(C[N@@H+](C)[C@@H]3CCN4CCO[C@H]3C4)cnc12 ZINC000449367053 650039213 /nfs/dbraw/zinc/03/92/13/650039213.db2.gz YTZJIADTBBCFJI-CVEARBPZSA-N 1 0 379.302 2.310 20 0 GEADRO COC[C@@](C)(O)CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000449384412 650039332 /nfs/dbraw/zinc/03/93/32/650039332.db2.gz NFHITVQSPBEWSE-ZDUSSCGKSA-N 1 0 385.192 2.447 20 0 GEADRO OCCN1CCCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000449393973 650040020 /nfs/dbraw/zinc/04/00/20/650040020.db2.gz NIHNKJKJXWQSPD-AWEZNQCLSA-N 1 0 385.302 2.157 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000449442467 650041047 /nfs/dbraw/zinc/04/10/47/650041047.db2.gz KWFVICZDYNLJKJ-GWCFXTLKSA-N 1 0 381.311 2.437 20 0 GEADRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cccc(I)c2)C1 ZINC000449455027 650041186 /nfs/dbraw/zinc/04/11/86/650041186.db2.gz QATAGJURVBSIAM-HNNXBMFYSA-N 1 0 389.233 2.303 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000449470812 650041748 /nfs/dbraw/zinc/04/17/48/650041748.db2.gz KWRQOMHJKYISJJ-UHFFFAOYSA-N 1 0 380.539 2.152 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000449577189 650042963 /nfs/dbraw/zinc/04/29/63/650042963.db2.gz CYNZBXHYPZDCEI-KBPBESRZSA-N 1 0 379.302 2.371 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)Cn2cccn2)cc1Br ZINC000449600159 650043660 /nfs/dbraw/zinc/04/36/60/650043660.db2.gz NKRHZJSZUGXHPV-HIFRSBDPSA-N 1 0 382.302 2.484 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000449714751 650047095 /nfs/dbraw/zinc/04/70/95/650047095.db2.gz HTHRUZMNKMOCDV-ZLDLUXBVSA-N 1 0 380.286 2.046 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000449711439 650047162 /nfs/dbraw/zinc/04/71/62/650047162.db2.gz OMNJDHKICQOTHR-UHOFOFEASA-N 1 0 382.302 2.260 20 0 GEADRO O=C(CCCCOc1ccc(Br)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000449713695 650047231 /nfs/dbraw/zinc/04/72/31/650047231.db2.gz YWEZHIDXHLYJTR-MRXNPFEDSA-N 1 0 385.302 2.493 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(F)c(F)cc2I)C1 ZINC000449717184 650047507 /nfs/dbraw/zinc/04/75/07/650047507.db2.gz DNELYEBJAVJKFK-HTQZYQBOSA-N 1 0 380.176 2.427 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(F)c(F)cc2I)C1 ZINC000449717186 650047515 /nfs/dbraw/zinc/04/75/15/650047515.db2.gz DNELYEBJAVJKFK-JGVFFNPUSA-N 1 0 380.176 2.427 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000449752722 650048951 /nfs/dbraw/zinc/04/89/51/650048951.db2.gz NLCSROKSJJMYJX-SMDDNHRTSA-N 1 0 380.286 2.059 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000449757234 650049161 /nfs/dbraw/zinc/04/91/61/650049161.db2.gz XVIIICFFOBWGLQ-ZIAGYGMSSA-N 1 0 380.286 2.059 20 0 GEADRO C[C@H]1CN(C(=O)c2ccc(I)cc2F)C[C@@H]1[NH+](C)C ZINC000449987866 650057682 /nfs/dbraw/zinc/05/76/82/650057682.db2.gz RARIXPGVSOVSTJ-ZANVPECISA-N 1 0 376.213 2.452 20 0 GEADRO C[C@H]1CN(C(=O)c2ccc(I)cc2F)C[C@H]1[NH+](C)C ZINC000449987862 650057702 /nfs/dbraw/zinc/05/77/02/650057702.db2.gz RARIXPGVSOVSTJ-TVQRCGJNSA-N 1 0 376.213 2.452 20 0 GEADRO CC[NH+](CC)CCOC1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000450012891 650058195 /nfs/dbraw/zinc/05/81/95/650058195.db2.gz TXNBMFNJEFIUNM-UHFFFAOYSA-N 1 0 387.322 2.146 20 0 GEADRO Cc1ccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c(Cl)c1Cl ZINC000450247504 650062868 /nfs/dbraw/zinc/06/28/68/650062868.db2.gz YJJFHRUNFJXJOU-UHFFFAOYSA-N 1 0 388.339 2.422 20 0 GEADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000450383547 650064573 /nfs/dbraw/zinc/06/45/73/650064573.db2.gz ZMHVVRJDECATJJ-GJZGRUSLSA-N 1 0 380.501 2.169 20 0 GEADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCC(=O)c1ccc(Br)cc1 ZINC000450559549 650067338 /nfs/dbraw/zinc/06/73/38/650067338.db2.gz KFPKSPPXKJOVJW-CQSZACIVSA-N 1 0 389.315 2.165 20 0 GEADRO C[C@@H]1C[N@H+](CCO)CCN1c1ccc(-c2ccc(Br)s2)nn1 ZINC000450953671 650076369 /nfs/dbraw/zinc/07/63/69/650076369.db2.gz LUVXXCHYSZNNBC-LLVKDONJSA-N 1 0 383.315 2.470 20 0 GEADRO C[NH+]1CCN(Cc2ccc(NC(=O)C3CC(C)(O)C3)cc2Br)CC1 ZINC000451120751 650088780 /nfs/dbraw/zinc/08/87/80/650088780.db2.gz LNQUIEDXCUFHLW-UHFFFAOYSA-N 1 0 396.329 2.296 20 0 GEADRO CCOC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000451132078 650089341 /nfs/dbraw/zinc/08/93/41/650089341.db2.gz VESGGIMGDCIFRQ-CQSZACIVSA-N 1 0 378.485 2.331 20 0 GEADRO C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451151675 650090810 /nfs/dbraw/zinc/09/08/10/650090810.db2.gz XOBNELAUITWUMK-WQVCFCJDSA-N 1 0 375.296 2.138 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000451167402 650092127 /nfs/dbraw/zinc/09/21/27/650092127.db2.gz WKMWAARVLIZRSJ-ZDUSSCGKSA-N 1 0 383.901 2.277 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)CC(C)(C)CO ZINC000451247030 650098004 /nfs/dbraw/zinc/09/80/04/650098004.db2.gz RTUOCOLGFSYWKM-UHFFFAOYSA-N 1 0 387.318 2.237 20 0 GEADRO O=S(=O)(C[C@@H]1CCCC1(F)F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000451271368 650099509 /nfs/dbraw/zinc/09/95/09/650099509.db2.gz KFCSWBNGCYZDPI-HNNXBMFYSA-N 1 0 380.501 2.328 20 0 GEADRO O=C1CCCN1C[C@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451294456 650101836 /nfs/dbraw/zinc/10/18/36/650101836.db2.gz KDSSPUBHGYFWJT-GFCCVEGCSA-N 1 0 377.432 2.325 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)CCOCc2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000451413798 650111988 /nfs/dbraw/zinc/11/19/88/650111988.db2.gz ZDBDQSDAZXNRRE-ZWKOTPCHSA-N 1 0 384.567 2.045 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(Br)c1 ZINC000451660524 650130047 /nfs/dbraw/zinc/13/00/47/650130047.db2.gz DMJDTBVXXRRJDT-ZNMIVQPWSA-N 1 0 398.345 2.471 20 0 GEADRO C[C@@H]1CN(Cc2nnc(-c3ccccc3Br)o2)C[C@H](C)[N@H+]1CCO ZINC000451659941 650130088 /nfs/dbraw/zinc/13/00/88/650130088.db2.gz CWLMMYPWCPIIFO-BETUJISGSA-N 1 0 395.301 2.386 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451665998 650131035 /nfs/dbraw/zinc/13/10/35/650131035.db2.gz OHPJDTCQHIHTPO-HZSPNIEDSA-N 1 0 384.318 2.163 20 0 GEADRO COC(=O)c1n[nH]c2c1C[N@H+](CCOc1cccc(Br)c1)CC2 ZINC000451739070 650137757 /nfs/dbraw/zinc/13/77/57/650137757.db2.gz SWWKGYZHOADKKY-UHFFFAOYSA-N 1 0 380.242 2.396 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451880411 650149509 /nfs/dbraw/zinc/14/95/09/650149509.db2.gz WMNWPPGEMRNPIE-KCQAQPDRSA-N 1 0 388.917 2.078 20 0 GEADRO C[C@@](CO)([NH2+]C[C@@H](O)COC1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000451907854 650151929 /nfs/dbraw/zinc/15/19/29/650151929.db2.gz JTUYSZHRQQIXBP-WBVHZDCISA-N 1 0 378.296 2.347 20 0 GEADRO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000451969800 650159237 /nfs/dbraw/zinc/15/92/37/650159237.db2.gz AZWNOUYZJGQALV-AWEZNQCLSA-N 1 0 378.897 2.209 20 0 GEADRO CN(C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000451994094 650163217 /nfs/dbraw/zinc/16/32/17/650163217.db2.gz NVOILUWYPDEAIN-QWHCGFSZSA-N 1 0 390.311 2.469 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc(OC)ccc2Cl)CC1 ZINC000452049114 650169291 /nfs/dbraw/zinc/16/92/91/650169291.db2.gz OIDOVQBDWCWLJU-UHFFFAOYSA-N 1 0 389.949 2.043 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000452051302 650169466 /nfs/dbraw/zinc/16/94/66/650169466.db2.gz SYNHQDFCYZOHDG-UHFFFAOYSA-N 1 0 391.940 2.315 20 0 GEADRO C[C@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC[N@@H+](C2CC2)C1 ZINC000452171265 650176461 /nfs/dbraw/zinc/17/64/61/650176461.db2.gz PLMVPVMQKLCUQI-GFCCVEGCSA-N 1 0 398.301 2.057 20 0 GEADRO O=C(CCc1cccc(F)c1Br)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452342855 650180396 /nfs/dbraw/zinc/18/03/96/650180396.db2.gz JANJUDKVCTUSAD-AWEZNQCLSA-N 1 0 387.293 2.484 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C1(c2ccc(Br)cc2)CC1 ZINC000452356195 650181589 /nfs/dbraw/zinc/18/15/89/650181589.db2.gz ZSAXILKUBISJSG-INIZCTEOSA-N 1 0 381.314 2.444 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)C1(c2ccc(Br)cc2)CC1 ZINC000452371505 650182689 /nfs/dbraw/zinc/18/26/89/650182689.db2.gz ALDIDKAHLUHMGJ-INIZCTEOSA-N 1 0 381.314 2.444 20 0 GEADRO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452376639 650182875 /nfs/dbraw/zinc/18/28/75/650182875.db2.gz LKOMAYJFHJRSEC-AWEZNQCLSA-N 1 0 394.313 2.436 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452382837 650183273 /nfs/dbraw/zinc/18/32/73/650183273.db2.gz YVPVFOXRKKXMEU-CYBMUJFWSA-N 1 0 385.302 2.343 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452380039 650183334 /nfs/dbraw/zinc/18/33/34/650183334.db2.gz RRVGXWZHVSVWMY-MRXNPFEDSA-N 1 0 399.329 2.353 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452388760 650183841 /nfs/dbraw/zinc/18/38/41/650183841.db2.gz KJQIMBAUSWWDBJ-KGLIPLIRSA-N 1 0 385.302 2.179 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452391010 650183923 /nfs/dbraw/zinc/18/39/23/650183923.db2.gz PFONYGMZJXKCKO-UKRRQHHQSA-N 1 0 385.302 2.179 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452395973 650184117 /nfs/dbraw/zinc/18/41/17/650184117.db2.gz XNWALGWDZSXJLS-LLVKDONJSA-N 1 0 391.331 2.404 20 0 GEADRO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452785889 650197463 /nfs/dbraw/zinc/19/74/63/650197463.db2.gz VYSSOBVGMJTCFS-CYBMUJFWSA-N 1 0 377.432 2.156 20 0 GEADRO O=C(CSCC(=O)c1ccc(Cl)cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452787393 650197838 /nfs/dbraw/zinc/19/78/38/650197838.db2.gz ZPZHMYVIDHWTFW-INIZCTEOSA-N 1 0 384.929 2.219 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4cccc(Br)c4)CC(=O)C3)C[C@@H]21 ZINC000453012793 650203631 /nfs/dbraw/zinc/20/36/31/650203631.db2.gz SEZOSFGYHNODRM-WBMJQRKESA-N 1 0 377.282 2.212 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)s1 ZINC000453073386 650205697 /nfs/dbraw/zinc/20/56/97/650205697.db2.gz BAUWKFJQFNMVGS-AWEZNQCLSA-N 1 0 390.571 2.452 20 0 GEADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000453214874 650207000 /nfs/dbraw/zinc/20/70/00/650207000.db2.gz IILKLDOOAQLNPG-ROUUACIJSA-N 1 0 386.945 2.301 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1I ZINC000453293467 650207944 /nfs/dbraw/zinc/20/79/44/650207944.db2.gz WWRNLMVBGJKUEV-QWRGUYRKSA-N 1 0 396.294 2.270 20 0 GEADRO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1OC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453313485 650208186 /nfs/dbraw/zinc/20/81/86/650208186.db2.gz HQZHBLGUGBWZRW-KBMXLJTQSA-N 1 0 390.933 2.340 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)ccc(F)c2Br)CC1 ZINC000453566160 650209062 /nfs/dbraw/zinc/20/90/62/650209062.db2.gz DSAWVZJVYNZYGL-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO Cc1cc(Br)c(C[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)s1 ZINC000453574111 650209286 /nfs/dbraw/zinc/20/92/86/650209286.db2.gz QTEVFUTXLVVBLU-UHFFFAOYSA-N 1 0 396.310 2.324 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000453640607 650211611 /nfs/dbraw/zinc/21/16/11/650211611.db2.gz HHMHXGHUZHPNRE-GFCCVEGCSA-N 1 0 386.265 2.292 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453641194 650211638 /nfs/dbraw/zinc/21/16/38/650211638.db2.gz RRONXTMPXWAKAC-SECBINFHSA-N 1 0 376.682 2.497 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453649541 650212331 /nfs/dbraw/zinc/21/23/31/650212331.db2.gz VPFTWFUTGAVMTJ-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000453659457 650213519 /nfs/dbraw/zinc/21/35/19/650213519.db2.gz YGGCLGGCKWNDEB-NSHDSACASA-N 1 0 386.677 2.394 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000453703580 650218138 /nfs/dbraw/zinc/21/81/38/650218138.db2.gz CKDOODFUIQXOBF-UHFFFAOYSA-N 1 0 386.265 2.389 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000453670846 650214168 /nfs/dbraw/zinc/21/41/68/650214168.db2.gz PHMQXLLZYLELHV-AWEZNQCLSA-N 1 0 397.317 2.424 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000453673702 650214295 /nfs/dbraw/zinc/21/42/95/650214295.db2.gz MCZWMXAXTHFWFY-JQWIXIFHSA-N 1 0 386.265 2.244 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000453741954 650222010 /nfs/dbraw/zinc/22/20/10/650222010.db2.gz GWGITMMWHRPZNR-AWEZNQCLSA-N 1 0 395.301 2.224 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453749198 650222291 /nfs/dbraw/zinc/22/22/91/650222291.db2.gz QJIVMOJLSFTILM-ZDUSSCGKSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000453764039 650224277 /nfs/dbraw/zinc/22/42/77/650224277.db2.gz BWQCSBXOFWLBCA-LBPRGKRZSA-N 1 0 380.286 2.330 20 0 GEADRO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1Cl ZINC000453802105 650227664 /nfs/dbraw/zinc/22/76/64/650227664.db2.gz CAUMIPFNYCGIGW-CYBMUJFWSA-N 1 0 388.295 2.203 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)C[C@@H]21 ZINC000453931175 650237768 /nfs/dbraw/zinc/23/77/68/650237768.db2.gz NQHBMURVXIUELK-RNCFNFMXSA-N 1 0 375.778 2.460 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000454080122 650251196 /nfs/dbraw/zinc/25/11/96/650251196.db2.gz BLLXNKNSYQPZKV-LBPRGKRZSA-N 1 0 386.265 2.468 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000454083944 650251635 /nfs/dbraw/zinc/25/16/35/650251635.db2.gz DNKWYYXWUJFDQC-ZDUSSCGKSA-N 1 0 383.290 2.032 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000454116271 650254972 /nfs/dbraw/zinc/25/49/72/650254972.db2.gz XHVMSGAUAMFMFA-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000454118283 650255341 /nfs/dbraw/zinc/25/53/41/650255341.db2.gz YURBQMOUSIOLMU-GFCCVEGCSA-N 1 0 386.265 2.468 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000454217953 650259141 /nfs/dbraw/zinc/25/91/41/650259141.db2.gz QLTIBRPMAAPQMT-UHFFFAOYSA-N 1 0 392.301 2.040 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)NCc2nn(C)cc2Br)([NH+](C)C)C1 ZINC000454631169 650273677 /nfs/dbraw/zinc/27/36/77/650273677.db2.gz MSNYHSMQRJPGDJ-MLGOLLRUSA-N 1 0 386.338 2.492 20 0 GEADRO COc1ccc(Br)c(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000454655684 650275093 /nfs/dbraw/zinc/27/50/93/650275093.db2.gz KIXGLLUSYXGYSL-GFCCVEGCSA-N 1 0 386.290 2.426 20 0 GEADRO COc1ccc(NC(=O)NCCC[N@H+](C)CCN(C)C)c(Br)c1 ZINC000454686784 650275930 /nfs/dbraw/zinc/27/59/30/650275930.db2.gz FLEQOAWVUQZKHG-UHFFFAOYSA-N 1 0 387.322 2.463 20 0 GEADRO C[C@@H](CNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)[NH+](C)C ZINC000454896879 650282358 /nfs/dbraw/zinc/28/23/58/650282358.db2.gz UQYICFIXTYXBEH-LBPRGKRZSA-N 1 0 380.290 2.384 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3COc4cc(F)c(Br)cc43)C[C@@H]21 ZINC000454909634 650282756 /nfs/dbraw/zinc/28/27/56/650282756.db2.gz RLVDECIRQWKYJG-FZQKWOKYSA-N 1 0 384.249 2.367 20 0 GEADRO CCN(C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)[C@@H](C)CS(=O)(=O)CC ZINC000455189906 650294444 /nfs/dbraw/zinc/29/44/44/650294444.db2.gz JYAPPTDKLSZELD-IRXDYDNUSA-N 1 0 375.579 2.352 20 0 GEADRO C[C@@H](CNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1)[NH+](C)C ZINC000455425870 650304025 /nfs/dbraw/zinc/30/40/25/650304025.db2.gz DUVCPTSMKVFGQX-LBPRGKRZSA-N 1 0 395.305 2.121 20 0 GEADRO C[N@H+](CCCCNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)C1CC1 ZINC000455627160 650309818 /nfs/dbraw/zinc/30/98/18/650309818.db2.gz ZMIMDGHRFNMNCD-HNNXBMFYSA-N 1 0 397.317 2.149 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455657274 650311616 /nfs/dbraw/zinc/31/16/16/650311616.db2.gz MXOKFHRIBYWPTG-NWDGAFQWSA-N 1 0 380.436 2.499 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H](c2nccs2)C(F)(F)F)CC1 ZINC000455655933 650311645 /nfs/dbraw/zinc/31/16/45/650311645.db2.gz LRXRXXWMOGSDPD-VXGBXAGGSA-N 1 0 380.436 2.139 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(I)cn2)C1 ZINC000455770175 650317746 /nfs/dbraw/zinc/31/77/46/650317746.db2.gz NDYDOLBCDABMSL-GFCCVEGCSA-N 1 0 387.265 2.490 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1nnc2ccc(Br)cn21 ZINC000455748581 650315351 /nfs/dbraw/zinc/31/53/51/650315351.db2.gz CJLXUSLNVUYSAD-VXGBXAGGSA-N 1 0 395.305 2.876 20 0 GEADRO C[NH+](C)CCN(C(=O)Nc1nnc2ccc(Br)cn21)C1CCCC1 ZINC000455762654 650316719 /nfs/dbraw/zinc/31/67/19/650316719.db2.gz PIPJAWDBKQXEGX-UHFFFAOYSA-N 1 0 395.305 2.830 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1nnc2ccc(Br)cn21 ZINC000455762042 650316763 /nfs/dbraw/zinc/31/67/63/650316763.db2.gz OIQGNZWXENVTGZ-NSHDSACASA-N 1 0 383.294 2.734 20 0 GEADRO COc1c(F)cc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c(OC)c1F ZINC000455882303 650325152 /nfs/dbraw/zinc/32/51/52/650325152.db2.gz IZJAFXLEURJVRP-RYUDHWBXSA-N 1 0 375.441 2.491 20 0 GEADRO CCS(=O)(=O)Cc1ccc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000455966325 650327046 /nfs/dbraw/zinc/32/70/46/650327046.db2.gz HJKASEPJRFGRTK-JKSUJKDBSA-N 1 0 385.555 2.131 20 0 GEADRO CCS(=O)(=O)Cc1ccc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000455966324 650327127 /nfs/dbraw/zinc/32/71/27/650327127.db2.gz HJKASEPJRFGRTK-HZPDHXFCSA-N 1 0 385.555 2.131 20 0 GEADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(I)cn2)C[C@@H](C)C1 ZINC000456054378 650328901 /nfs/dbraw/zinc/32/89/01/650328901.db2.gz CTNGCAMJCYBGJV-YWPYICTPSA-N 1 0 399.276 2.489 20 0 GEADRO COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000456131302 650331700 /nfs/dbraw/zinc/33/17/00/650331700.db2.gz QTIQNXHBUSNZAK-HUUCEWRRSA-N 1 0 399.285 2.224 20 0 GEADRO Cc1nc(NC[C@](C)(O)C(F)(F)F)cc(NC[C@](C)(O)C(F)(F)F)[nH+]1 ZINC000539593571 650338103 /nfs/dbraw/zinc/33/81/03/650338103.db2.gz SLQNCJCROQUSQF-QWRGUYRKSA-N 1 0 376.301 2.235 20 0 GEADRO C[NH+](C)CCCC(C)(C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000456199647 650333473 /nfs/dbraw/zinc/33/34/73/650333473.db2.gz KSIHJWPASVGTFN-UHFFFAOYSA-N 1 0 389.949 2.245 20 0 GEADRO COc1ccc(CCC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1Br ZINC000456226593 650334674 /nfs/dbraw/zinc/33/46/74/650334674.db2.gz OTJLLBXNOGRYHY-OKILXGFUSA-N 1 0 399.329 2.304 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000456283192 650336369 /nfs/dbraw/zinc/33/63/69/650336369.db2.gz YHHVDBWHJCEILU-HNNXBMFYSA-N 1 0 384.293 2.329 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000456314736 650336872 /nfs/dbraw/zinc/33/68/72/650336872.db2.gz WCTBCDKRDORHAI-GXTWGEPZSA-N 1 0 382.302 2.422 20 0 GEADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000456358052 650337935 /nfs/dbraw/zinc/33/79/35/650337935.db2.gz SZMNYBFPSOAYJS-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO Cn1cc(I)c(CNC(=O)c2ccccc2C[NH+](C)C)n1 ZINC000456509659 650345443 /nfs/dbraw/zinc/34/54/43/650345443.db2.gz QSMUBALPNLFDBE-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000456709967 650356533 /nfs/dbraw/zinc/35/65/33/650356533.db2.gz GBOFIVQPMMKRCJ-CXAGYDPISA-N 1 0 399.304 2.482 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1OC(F)F ZINC000500563073 650380476 /nfs/dbraw/zinc/38/04/76/650380476.db2.gz WHAXSOHWPAKBNF-STQMWFEESA-N 1 0 378.441 2.104 20 0 GEADRO COc1sc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1Br ZINC000500460087 650377536 /nfs/dbraw/zinc/37/75/36/650377536.db2.gz HCIUZRYJWHNAQH-BXKDBHETSA-N 1 0 397.360 2.327 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000500568442 650380704 /nfs/dbraw/zinc/38/07/04/650380704.db2.gz VSEWBJVNIDMRSC-DZGCQCFKSA-N 1 0 380.432 2.435 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2nc3c(s2)CSCC3)C1 ZINC000500863902 650383667 /nfs/dbraw/zinc/38/36/67/650383667.db2.gz HJAOMEIFEAAEAS-UHFFFAOYSA-N 1 0 382.555 2.109 20 0 GEADRO O=C(NCc1cc(Br)ccc1F)NC[C@H]1CCCC[N@H+]1CCO ZINC000457774152 650384420 /nfs/dbraw/zinc/38/44/20/650384420.db2.gz LNITXZSTMCLDFH-CQSZACIVSA-N 1 0 388.281 2.234 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)Cc2c(F)cccc2F)C1 ZINC000500934935 650384858 /nfs/dbraw/zinc/38/48/58/650384858.db2.gz PVZGWQLTTGDFEB-AWEZNQCLSA-N 1 0 376.469 2.227 20 0 GEADRO O=C(NCc1ccc(Br)s1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457802962 650385176 /nfs/dbraw/zinc/38/51/76/650385176.db2.gz MFWFZBNEBDNGNQ-NSHDSACASA-N 1 0 376.320 2.157 20 0 GEADRO O=S(=O)([C@@H]1CCC[N@H+](CCSC2CCCCC2)C1)N1CCOCC1 ZINC000501053610 650386799 /nfs/dbraw/zinc/38/67/99/650386799.db2.gz LZVZMYTVQGCHFI-QGZVFWFLSA-N 1 0 376.588 2.179 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000501253981 650388562 /nfs/dbraw/zinc/38/85/62/650388562.db2.gz OWLYIGFPLPZLOX-CQSZACIVSA-N 1 0 387.571 2.383 20 0 GEADRO Cc1ncc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)s1 ZINC000501428728 650391856 /nfs/dbraw/zinc/39/18/56/650391856.db2.gz ZBJGVDBJSDYMBR-UHFFFAOYSA-N 1 0 382.555 2.258 20 0 GEADRO Cc1cc(S(=O)(=O)NCCNC(=O)CC[C@@H]2CCCC[N@H+]2C)c(C)s1 ZINC000501810183 650397509 /nfs/dbraw/zinc/39/75/09/650397509.db2.gz YDPTXZAGMZPRQT-HNNXBMFYSA-N 1 0 387.571 2.024 20 0 GEADRO COc1cc(Br)c(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1OC ZINC000501949804 650399429 /nfs/dbraw/zinc/39/94/29/650399429.db2.gz RVJAIIUXDCFCBU-OLZOCXBDSA-N 1 0 387.318 2.353 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000502044694 650400453 /nfs/dbraw/zinc/40/04/53/650400453.db2.gz OGMQVHDXAZWGKU-GFCCVEGCSA-N 1 0 393.962 2.061 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458384164 650401629 /nfs/dbraw/zinc/40/16/29/650401629.db2.gz UMCJDRDGWGPFTD-MRXNPFEDSA-N 1 0 384.318 2.404 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000458550579 650405309 /nfs/dbraw/zinc/40/53/09/650405309.db2.gz UZWCAWAVBLOGAP-KFWWJZLASA-N 1 0 398.345 2.477 20 0 GEADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnnn1 ZINC000502418322 650405986 /nfs/dbraw/zinc/40/59/86/650405986.db2.gz FSXDKQDCTZRMFO-UHFFFAOYSA-N 1 0 385.299 2.351 20 0 GEADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000458659494 650406416 /nfs/dbraw/zinc/40/64/16/650406416.db2.gz OSAMGAFXOPUIDW-UHFFFAOYSA-N 1 0 376.408 2.158 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000458698947 650407983 /nfs/dbraw/zinc/40/79/83/650407983.db2.gz SFPRORQNJVWNBH-AWEZNQCLSA-N 1 0 388.281 2.453 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC)[NH+]1CCCC1 ZINC000502967814 650413217 /nfs/dbraw/zinc/41/32/17/650413217.db2.gz YWMWVSWICDRPPF-DOTOQJQBSA-N 1 0 375.579 2.352 20 0 GEADRO C[NH+](C)CCN(C(=O)NCCn1cc(Br)ccc1=O)C1CCCC1 ZINC000458937381 650415171 /nfs/dbraw/zinc/41/51/71/650415171.db2.gz ZTVNQAXFIBAYAT-UHFFFAOYSA-N 1 0 399.333 2.127 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1nc(C(F)(F)F)cs1 ZINC000458731231 650409886 /nfs/dbraw/zinc/40/98/86/650409886.db2.gz VVMRRGDKBVHFPM-MNOVXSKESA-N 1 0 380.436 2.369 20 0 GEADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2nn(C)cc2Br)o1 ZINC000459013985 650417326 /nfs/dbraw/zinc/41/73/26/650417326.db2.gz JPGQQFHXXASNDQ-UHFFFAOYSA-N 1 0 398.305 2.357 20 0 GEADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000503449149 650417633 /nfs/dbraw/zinc/41/76/33/650417633.db2.gz BNGZUKGMJIXNTB-YESZJQIVSA-N 1 0 388.599 2.209 20 0 GEADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000503454849 650418015 /nfs/dbraw/zinc/41/80/15/650418015.db2.gz AEYDOXKKBNNUFY-HOTGVXAUSA-N 1 0 385.555 2.139 20 0 GEADRO CNC(=O)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000459045850 650418226 /nfs/dbraw/zinc/41/82/26/650418226.db2.gz BFEQFNRGUMKSRW-ZDUSSCGKSA-N 1 0 399.333 2.047 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@H](C)[NH+](C)C ZINC000459072082 650418422 /nfs/dbraw/zinc/41/84/22/650418422.db2.gz YTMFEFNQXAVWTI-JSGCOSHPSA-N 1 0 386.334 2.158 20 0 GEADRO C[C@H]1CN(C(=O)NCCc2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000459149744 650419535 /nfs/dbraw/zinc/41/95/35/650419535.db2.gz MSNBFWPRZVAVOC-AWEZNQCLSA-N 1 0 398.345 2.478 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000459275203 650421929 /nfs/dbraw/zinc/42/19/29/650421929.db2.gz ABNKKCBOXIEUAD-CYBMUJFWSA-N 1 0 397.317 2.419 20 0 GEADRO CCOc1cc(CN2CC[NH+](C[C@@H](O)CC)CC2)cc(Br)c1O ZINC000459342824 650422934 /nfs/dbraw/zinc/42/29/34/650422934.db2.gz XSYTXBDNTURWGL-AWEZNQCLSA-N 1 0 387.318 2.442 20 0 GEADRO CCOc1cc(C[NH2+][C@H](C)CS(=O)(=O)CC)cc(Br)c1O ZINC000459408417 650423986 /nfs/dbraw/zinc/42/39/86/650423986.db2.gz GAYNVAQDYFCHBU-SNVBAGLBSA-N 1 0 380.304 2.466 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@H]1Sc1ccccc1 ZINC000459502294 650426579 /nfs/dbraw/zinc/42/65/79/650426579.db2.gz FHGGJFNCZFJOFX-RCCFBDPRSA-N 1 0 384.567 2.196 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000504062698 650426623 /nfs/dbraw/zinc/42/66/23/650426623.db2.gz LQYDRJGAOLKLHM-XHSDSOJGSA-N 1 0 382.302 2.409 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1O ZINC000504138622 650427752 /nfs/dbraw/zinc/42/77/52/650427752.db2.gz OHLSZDOXDULUCU-LBPRGKRZSA-N 1 0 385.302 2.001 20 0 GEADRO NC(=O)Cn1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)nn1 ZINC000459541349 650428190 /nfs/dbraw/zinc/42/81/90/650428190.db2.gz WCVUFZMMCUVUMK-OAHLLOKOSA-N 1 0 392.301 2.027 20 0 GEADRO O[C@H](C[NH2+]Cc1csc(-c2cccc(Br)c2)n1)Cn1ccnn1 ZINC000459707064 650430615 /nfs/dbraw/zinc/43/06/15/650430615.db2.gz WHGRDIIRZAPAOF-CQSZACIVSA-N 1 0 394.298 2.315 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000459861347 650434168 /nfs/dbraw/zinc/43/41/68/650434168.db2.gz YUHAGXFMYXAJIW-OAHLLOKOSA-N 1 0 396.329 2.208 20 0 GEADRO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)C(=O)c1ccc(Br)o1 ZINC000505662751 650439855 /nfs/dbraw/zinc/43/98/55/650439855.db2.gz PNSANKKGHRIFLN-KRWDZBQOSA-N 1 0 398.301 2.058 20 0 GEADRO C[NH+](C)C1(CNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CCOCC1 ZINC000506013197 650442801 /nfs/dbraw/zinc/44/28/01/650442801.db2.gz RQHZROXQSQIVSB-UHFFFAOYSA-N 1 0 385.295 2.411 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000506629467 650447951 /nfs/dbraw/zinc/44/79/51/650447951.db2.gz YSXJJCPNWQUNNP-GFCCVEGCSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc(Br)cc32)C[C@H]1C ZINC000461234198 650451265 /nfs/dbraw/zinc/45/12/65/650451265.db2.gz PROSZJKHUAQVPL-VXGBXAGGSA-N 1 0 380.286 2.458 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cnc(CC)s2)[C@H](C)C1 ZINC000460955925 650448865 /nfs/dbraw/zinc/44/88/65/650448865.db2.gz JKPQDJLGHJEJGO-KGLIPLIRSA-N 1 0 375.560 2.121 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](S(C)(=O)=O)CC1)CC(C)C ZINC000507053896 650454088 /nfs/dbraw/zinc/45/40/88/650454088.db2.gz MVOMUPLCJMIDTI-SJORKVTESA-N 1 0 375.579 2.352 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000507410444 650460265 /nfs/dbraw/zinc/46/02/65/650460265.db2.gz VAGTYOAEONHAKJ-AWEZNQCLSA-N 1 0 387.933 2.145 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1F ZINC000461905872 650462285 /nfs/dbraw/zinc/46/22/85/650462285.db2.gz VOEOJBQNCCPRFS-CMPLNLGQSA-N 1 0 377.279 2.255 20 0 GEADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000461899972 650462297 /nfs/dbraw/zinc/46/22/97/650462297.db2.gz JHPRADAOTGSSPE-SWLSCSKDSA-N 1 0 388.917 2.113 20 0 GEADRO C[NH+](C)CC1(NS(=O)(=O)CCc2ccccc2Br)CCC1 ZINC000462079430 650466209 /nfs/dbraw/zinc/46/62/09/650466209.db2.gz MOIKEDFWMXCVCG-UHFFFAOYSA-N 1 0 375.332 2.395 20 0 GEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)CCc1ccccc1Br ZINC000462082634 650466469 /nfs/dbraw/zinc/46/64/69/650466469.db2.gz HXUVZIHEKOPZRW-UHFFFAOYSA-N 1 0 375.332 2.347 20 0 GEADRO NC(=O)c1ccc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)cc1 ZINC000507945714 650470082 /nfs/dbraw/zinc/47/00/82/650470082.db2.gz NUZGOLIBVSIABS-UHFFFAOYSA-N 1 0 390.281 2.458 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)c2ccsc2)C1 ZINC000508186734 650476862 /nfs/dbraw/zinc/47/68/62/650476862.db2.gz DLTXGORPJMIFLF-CQSZACIVSA-N 1 0 379.507 2.246 20 0 GEADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2sc(C(F)(F)F)nc2C)CC1 ZINC000462171267 650472420 /nfs/dbraw/zinc/47/24/20/650472420.db2.gz NQHGNHRUWJSSNF-LLVKDONJSA-N 1 0 378.464 2.474 20 0 GEADRO CCOC(=O)CCCS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000462309278 650474358 /nfs/dbraw/zinc/47/43/58/650474358.db2.gz CARYQAHGDRDEAK-PBHICJAKSA-N 1 0 388.555 2.394 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)cn2)C[C@H]1C ZINC000462333441 650475836 /nfs/dbraw/zinc/47/58/36/650475836.db2.gz HCWUIFREXWMERB-YPMHNXCESA-N 1 0 376.320 2.337 20 0 GEADRO C[S@@](=O)c1ccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000462545617 650483832 /nfs/dbraw/zinc/48/38/32/650483832.db2.gz YBLGTHMGBAVBEM-XMMPIXPASA-N 1 0 378.519 2.254 20 0 GEADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(Br)cn1 ZINC000462483074 650481666 /nfs/dbraw/zinc/48/16/66/650481666.db2.gz ZRGZPFZLPHJADA-UHFFFAOYSA-N 1 0 384.299 2.384 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(I)c2)CC[N@@H+]1C ZINC000462487769 650481839 /nfs/dbraw/zinc/48/18/39/650481839.db2.gz GGVGSDKRHJHNIA-PWSUYJOCSA-N 1 0 394.278 2.052 20 0 GEADRO COCCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CCCSC1 ZINC000462504980 650482242 /nfs/dbraw/zinc/48/22/42/650482242.db2.gz PCHSCFMYEOOIML-OAHLLOKOSA-N 1 0 375.604 2.367 20 0 GEADRO CSc1cccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c1 ZINC000509219055 650490353 /nfs/dbraw/zinc/49/03/53/650490353.db2.gz QSKMKAXISYSKIR-UHFFFAOYSA-N 1 0 379.507 2.370 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000508981935 650485309 /nfs/dbraw/zinc/48/53/09/650485309.db2.gz UKFKLLQRXZCZDZ-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO CC1(c2cccc(Br)c2)CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000509080452 650486280 /nfs/dbraw/zinc/48/62/80/650486280.db2.gz QUSRPRLTCWDFKS-UHFFFAOYSA-N 1 0 375.332 2.481 20 0 GEADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000462643572 650486656 /nfs/dbraw/zinc/48/66/56/650486656.db2.gz RTWWPSMAJSKUGQ-QGZVFWFLSA-N 1 0 377.901 2.445 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)NCCC1CCS(=O)(=O)CC1)CC(C)C ZINC000509154154 650488279 /nfs/dbraw/zinc/48/82/79/650488279.db2.gz RCQWRCIKLIGTDN-QGZVFWFLSA-N 1 0 375.579 2.257 20 0 GEADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)c1ccsc1 ZINC000462755157 650490249 /nfs/dbraw/zinc/49/02/49/650490249.db2.gz KUPUFXZQNGEZRU-ZDUSSCGKSA-N 1 0 381.523 2.330 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N(C)CCc2cccc(Br)c2)C1 ZINC000463319595 650493181 /nfs/dbraw/zinc/49/31/81/650493181.db2.gz WFVRKXUUMRZBJU-INIZCTEOSA-N 1 0 384.318 2.354 20 0 GEADRO CN(CC(=O)N1CCCC12CC[NH+](C)CC2)C(=O)c1ccc(Br)o1 ZINC000509327947 650493225 /nfs/dbraw/zinc/49/32/25/650493225.db2.gz NXAZAMPCHQUKTK-UHFFFAOYSA-N 1 0 398.301 2.201 20 0 GEADRO C[C@H]([NH2+]CCN1CCOCC1)c1ccc(Br)cc1OCCCO ZINC000463358058 650493941 /nfs/dbraw/zinc/49/39/41/650493941.db2.gz CWFFSMFYCXLVLI-AWEZNQCLSA-N 1 0 387.318 2.193 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCc2cccc(Br)c2)C[C@@H](C)O1 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C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000511037909 650523750 /nfs/dbraw/zinc/52/37/50/650523750.db2.gz LERARQCXBFYNKG-LLVKDONJSA-N 1 0 394.896 2.467 20 0 GEADRO CN(C[C@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000511122170 650526932 /nfs/dbraw/zinc/52/69/32/650526932.db2.gz MUXIONYWVZRBQN-CYBMUJFWSA-N 1 0 378.897 2.461 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000474102494 650527547 /nfs/dbraw/zinc/52/75/47/650527547.db2.gz FOBXQWMEWGUYHG-QWRGUYRKSA-N 1 0 377.304 2.219 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000474099338 650527566 /nfs/dbraw/zinc/52/75/66/650527566.db2.gz OWDHYYZRHXXSMJ-JTQLQIEISA-N 1 0 377.304 2.219 20 0 GEADRO CCCCN(CCCC)C(=O)CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511145078 650528226 /nfs/dbraw/zinc/52/82/26/650528226.db2.gz VEPOMAXZUXEIEI-QGZVFWFLSA-N 1 0 375.579 2.019 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCCn1cc(Br)cn1)c1ccc(F)cc1 ZINC000511230735 650529885 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C[C@@H](CC[NH3+])NC(=O)CCCOc1ccc(I)cc1 ZINC000477183825 650570877 /nfs/dbraw/zinc/57/08/77/650570877.db2.gz ADICKWDUXUSFSZ-NSHDSACASA-N 1 0 376.238 2.304 20 0 GEADRO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513965230 650572227 /nfs/dbraw/zinc/57/22/27/650572227.db2.gz VYKQUKKYWQLAQS-LLVKDONJSA-N 1 0 394.324 2.145 20 0 GEADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCF)s1)N1CCOCC1 ZINC000513656657 650567202 /nfs/dbraw/zinc/56/72/02/650567202.db2.gz WEPPBCXCQMUYMA-DZGCQCFKSA-N 1 0 376.519 2.387 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@@H]1SC ZINC000514658799 650575895 /nfs/dbraw/zinc/57/58/95/650575895.db2.gz YWRRFPDQTBIOHY-CTASWTNQSA-N 1 0 390.596 2.400 20 0 GEADRO COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000514673970 650576605 /nfs/dbraw/zinc/57/66/05/650576605.db2.gz MRBOIZCPXLSYBW-GWCFXTLKSA-N 1 0 397.191 2.233 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)COc1cccc(I)c1 ZINC000514788547 650579076 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C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(Br)ccc2Br)C1 ZINC000478579312 650588011 /nfs/dbraw/zinc/58/80/11/650588011.db2.gz KIMFDBYMXJXDSC-CYBMUJFWSA-N 1 0 392.091 2.008 20 0 GEADRO Cc1cnccc1CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000515641258 650593187 /nfs/dbraw/zinc/59/31/87/650593187.db2.gz LPQPXPIGZLSZMD-UHFFFAOYSA-N 1 0 379.448 2.221 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000515223010 650589859 /nfs/dbraw/zinc/58/98/59/650589859.db2.gz JZFDXRHWCJCSOJ-MGPQQGTHSA-N 1 0 399.308 2.037 20 0 GEADRO C[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)N(C)C1CC1 ZINC000515235045 650590241 /nfs/dbraw/zinc/59/02/41/650590241.db2.gz WWKZYVRODZCWHS-NHYWBVRUSA-N 1 0 375.282 2.400 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000515292566 650590898 /nfs/dbraw/zinc/59/08/98/650590898.db2.gz FVJQSCKFCWJDRK-UHFFFAOYSA-N 1 0 383.290 2.043 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)C[C@H]1c1ccc(Br)cc1 ZINC000515298990 650590968 /nfs/dbraw/zinc/59/09/68/650590968.db2.gz CYKSEFYJAVBOGF-HRCADAONSA-N 1 0 395.297 2.306 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000515839237 650594571 /nfs/dbraw/zinc/59/45/71/650594571.db2.gz DHTTYYIZOSHMFK-HNNXBMFYSA-N 1 0 398.301 2.433 20 0 GEADRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479053292 650595129 /nfs/dbraw/zinc/59/51/29/650595129.db2.gz FCAXPFMSEVNGPV-QWRGUYRKSA-N 1 0 396.340 2.012 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)[C@H]2C1 ZINC000479079354 650595810 /nfs/dbraw/zinc/59/58/10/650595810.db2.gz QBHQMKSZAQBRFF-LRDDRELGSA-N 1 0 384.307 2.205 20 0 GEADRO COCC1(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000479091783 650595869 /nfs/dbraw/zinc/59/58/69/650595869.db2.gz TXRSYZFELJRNJZ-UHFFFAOYSA-N 1 0 388.295 2.407 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)Nc1cc(Br)cnc1-n1cccn1 ZINC000516235259 650596181 /nfs/dbraw/zinc/59/61/81/650596181.db2.gz NHWVFVFZOYJUJV-UHFFFAOYSA-N 1 0 391.273 2.413 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000516514738 650597775 /nfs/dbraw/zinc/59/77/75/650597775.db2.gz BLNQZMZCXDCBDO-CYBMUJFWSA-N 1 0 382.452 2.210 20 0 GEADRO [NH3+]CCc1nc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)cs1 ZINC000516570913 650599146 /nfs/dbraw/zinc/59/91/46/650599146.db2.gz BDXNBUHFOPXWBR-UHFFFAOYSA-N 1 0 380.901 2.382 20 0 GEADRO OC[C@@H](CC1CCC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000518186076 650602526 /nfs/dbraw/zinc/60/25/26/650602526.db2.gz YVEHNDOYSTZURY-CABCVRRESA-N 1 0 376.266 2.469 20 0 GEADRO C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479396270 650602748 /nfs/dbraw/zinc/60/27/48/650602748.db2.gz VKOMBYVDYQCPQU-QJHLZDNFSA-N 1 0 387.354 2.449 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479452905 650603936 /nfs/dbraw/zinc/60/39/36/650603936.db2.gz IVKSZYOEKLKFHV-HNNXBMFYSA-N 1 0 390.347 2.249 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000479454080 650603968 /nfs/dbraw/zinc/60/39/68/650603968.db2.gz PQJZHGCFODTUCJ-ZIAGYGMSSA-N 1 0 378.336 2.371 20 0 GEADRO Ic1ccc([C@@H]2CCCN2CCN2CC[NH2+]CC2)cc1 ZINC000518376490 650604056 /nfs/dbraw/zinc/60/40/56/650604056.db2.gz VAYJVRAJQJZDKZ-INIZCTEOSA-N 1 0 385.293 2.333 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000518395697 650604302 /nfs/dbraw/zinc/60/43/02/650604302.db2.gz NWVKULHZWAMHIP-XJKSGUPXSA-N 1 0 382.302 2.084 20 0 GEADRO O=C(NCC1CCN(CC(F)F)CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000518396956 650604563 /nfs/dbraw/zinc/60/45/63/650604563.db2.gz KRNSMPZRUBJOMK-MRXNPFEDSA-N 1 0 375.529 2.297 20 0 GEADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)CCN2C1=O ZINC000518797195 650608377 /nfs/dbraw/zinc/60/83/77/650608377.db2.gz NHKDBUXVADHEAN-ONGXEEELSA-N 1 0 376.766 2.135 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(c3ccnc4c(Cl)cc(Br)cc34)CCN2C1=O ZINC000519616356 650609603 /nfs/dbraw/zinc/60/96/03/650609603.db2.gz SJYBCZLFEFFBIQ-GXFFZTMASA-N 1 0 395.688 2.399 20 0 GEADRO C[C@@H]1[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CCC[N@@H+]1C ZINC000479771835 650609779 /nfs/dbraw/zinc/60/97/79/650609779.db2.gz UUCUVSBMDQUENL-DGCLKSJQSA-N 1 0 390.347 2.497 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)NCC1(c2ccc(Br)s2)CCC1 ZINC000520204464 650613969 /nfs/dbraw/zinc/61/39/69/650613969.db2.gz QGFAYDUHFVGARM-NSHDSACASA-N 1 0 388.331 2.220 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc([S@](C)=O)cc1 ZINC000519707108 650611160 /nfs/dbraw/zinc/61/11/60/650611160.db2.gz BCXOIXDXNIQHBQ-WWDXNRJTSA-N 1 0 379.503 2.310 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000521412841 650616914 /nfs/dbraw/zinc/61/69/14/650616914.db2.gz KQRMQUSYJXKLBS-HIFRSBDPSA-N 1 0 396.329 2.084 20 0 GEADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(S(N)(=O)=O)s2)c1 ZINC000521473685 650617741 /nfs/dbraw/zinc/61/77/41/650617741.db2.gz NGQUHUSKYFAQDJ-UHFFFAOYSA-N 1 0 381.523 2.167 20 0 GEADRO CC[C@H](C)[C@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(F)(F)F ZINC000480343116 650620338 /nfs/dbraw/zinc/62/03/38/650620338.db2.gz QUPRHRRHQFDJON-HZMBPMFUSA-N 1 0 384.468 2.317 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCc2sccc2[C@@H]1C ZINC000480264300 650618619 /nfs/dbraw/zinc/61/86/19/650618619.db2.gz MYXKVBKOCKSECS-ZDUSSCGKSA-N 1 0 382.555 2.431 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@H](c2ccccc2)N2CCSCC2)CCSC1 ZINC000480275680 650618769 /nfs/dbraw/zinc/61/87/69/650618769.db2.gz QNNIAQKGAKHSHL-HKUYNNGSSA-N 1 0 379.595 2.330 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000522171107 650623258 /nfs/dbraw/zinc/62/32/58/650623258.db2.gz ITLURRCBPNGQAP-HNNXBMFYSA-N 1 0 382.302 2.088 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@@H]3CCC[N@@H+]3C)ccc2s1 ZINC000480483612 650623355 /nfs/dbraw/zinc/62/33/55/650623355.db2.gz WKBUMFJZIYBISP-ZDUSSCGKSA-N 1 0 382.507 2.451 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(I)cc2)C1 ZINC000522851647 650628725 /nfs/dbraw/zinc/62/87/25/650628725.db2.gz IAJSVBWYWZFGRK-ZDUSSCGKSA-N 1 0 389.237 2.133 20 0 GEADRO C[C@H](CNC(=O)NCc1n[nH]cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000523169174 650632200 /nfs/dbraw/zinc/63/22/00/650632200.db2.gz HHFYEBFEBGYSJF-GFCCVEGCSA-N 1 0 392.301 2.418 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(Br)c1 ZINC000480807610 650633115 /nfs/dbraw/zinc/63/31/15/650633115.db2.gz UTFOELIXARDRBU-HZMBPMFUSA-N 1 0 389.315 2.219 20 0 GEADRO C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000523684034 650637022 /nfs/dbraw/zinc/63/70/22/650637022.db2.gz YVBZBDCIWCXJIR-COXVUDFISA-N 1 0 380.330 2.305 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1F ZINC000523703239 650637450 /nfs/dbraw/zinc/63/74/50/650637450.db2.gz GTNQFZXPYUUQJF-UHFFFAOYSA-N 1 0 394.896 2.373 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000480999154 650639612 /nfs/dbraw/zinc/63/96/12/650639612.db2.gz ALCNWFRZMBNNNB-QGZVFWFLSA-N 1 0 375.579 2.224 20 0 GEADRO C[NH+](C)CCCCNC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000524242450 650639670 /nfs/dbraw/zinc/63/96/70/650639670.db2.gz VSPQYQOUQSBISU-UHFFFAOYSA-N 1 0 380.432 2.023 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000524297118 650640312 /nfs/dbraw/zinc/64/03/12/650640312.db2.gz IJIDDNXLKDIRPD-ZDUSSCGKSA-N 1 0 394.313 2.185 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(Br)s2)CCSC1 ZINC000481391473 650645793 /nfs/dbraw/zinc/64/57/93/650645793.db2.gz HVHYDYBTAFAXAX-NSHDSACASA-N 1 0 385.374 2.226 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)CCSC1 ZINC000481338589 650644503 /nfs/dbraw/zinc/64/45/03/650644503.db2.gz KPHIRLVACNWCNF-ZDUSSCGKSA-N 1 0 384.445 2.301 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(F)c(Br)c2)CCSC1 ZINC000481349506 650644581 /nfs/dbraw/zinc/64/45/81/650644581.db2.gz RTPVDEKAYFAZTI-CYBMUJFWSA-N 1 0 397.335 2.304 20 0 GEADRO CCOc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1OCC ZINC000481346071 650644639 /nfs/dbraw/zinc/64/46/39/650644639.db2.gz NISDEALPXLJROW-KRWDZBQOSA-N 1 0 388.555 2.200 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000524696288 650645334 /nfs/dbraw/zinc/64/53/34/650645334.db2.gz CBZBDTHCPBYNHV-LBPRGKRZSA-N 1 0 384.958 2.430 20 0 GEADRO O[C@H](C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)CN1CCOCC1 ZINC000481748654 650652342 /nfs/dbraw/zinc/65/23/42/650652342.db2.gz UZXJZHMTFAPZFX-IAGOWNOFSA-N 1 0 387.293 2.322 20 0 GEADRO Ic1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000525273501 650652708 /nfs/dbraw/zinc/65/27/08/650652708.db2.gz AHCKTRQNPXIREM-OAHLLOKOSA-N 1 0 386.277 2.445 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)NCC3(O)CC[NH+](C)CC3)s2)cs1 ZINC000525452148 650655004 /nfs/dbraw/zinc/65/50/04/650655004.db2.gz OSFNDNVHPNTPAX-UHFFFAOYSA-N 1 0 380.539 2.436 20 0 GEADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC[N@@H+]1C ZINC000525702591 650656751 /nfs/dbraw/zinc/65/67/51/650656751.db2.gz KHNUWLCZXISOPD-WCQYABFASA-N 1 0 385.917 2.328 20 0 GEADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482004900 650658063 /nfs/dbraw/zinc/65/80/63/650658063.db2.gz XBLNHEKVTFUYHI-HRCADAONSA-N 1 0 390.933 2.483 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000525835638 650658283 /nfs/dbraw/zinc/65/82/83/650658283.db2.gz BMBKSEUQYCFNKF-HZPDHXFCSA-N 1 0 376.494 2.306 20 0 GEADRO OCCC1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000526135000 650664429 /nfs/dbraw/zinc/66/44/29/650664429.db2.gz IGGDQHSCMISJQN-HNNXBMFYSA-N 1 0 376.266 2.422 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000482357506 650664614 /nfs/dbraw/zinc/66/46/14/650664614.db2.gz BGSIXPSGOUNMPQ-OAHLLOKOSA-N 1 0 386.721 2.451 20 0 GEADRO Cc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)c(-n2cc(Cl)cn2)n1 ZINC000527054391 650666829 /nfs/dbraw/zinc/66/68/29/650666829.db2.gz PFQKFCHJWMZKCZ-HNNXBMFYSA-N 1 0 379.917 2.283 20 0 GEADRO Cn1c2ccc(C[NH2+]Cc3cccc(NS(C)(=O)=O)c3)cc2sc1=O ZINC000527223488 650671502 /nfs/dbraw/zinc/67/15/02/650671502.db2.gz URFFHKLMTOGNCD-UHFFFAOYSA-N 1 0 377.491 2.261 20 0 GEADRO C[N@H+](CC(=O)N(CCO)Cc1ccc(Br)s1)[C@H]1CCSC1 ZINC000483004167 650673070 /nfs/dbraw/zinc/67/30/70/650673070.db2.gz AULWVMKBOSCRAS-NSHDSACASA-N 1 0 393.372 2.269 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000527373484 650675152 /nfs/dbraw/zinc/67/51/52/650675152.db2.gz UIJXJMCOMXFEED-MFKMUULPSA-N 1 0 380.329 2.365 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000483444701 650678538 /nfs/dbraw/zinc/67/85/38/650678538.db2.gz XAZBTPHPDPJYMD-JKSUJKDBSA-N 1 0 387.571 2.061 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)N2CCc3ccc(F)c(Br)c3C2)nn1 ZINC000527616541 650681095 /nfs/dbraw/zinc/68/10/95/650681095.db2.gz FILRWWJVOVVHKY-UHFFFAOYSA-N 1 0 396.264 2.117 20 0 GEADRO COCC(=O)N1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527655068 650681402 /nfs/dbraw/zinc/68/14/02/650681402.db2.gz XXSUNSXCYDSGRY-UHFFFAOYSA-N 1 0 377.229 2.454 20 0 GEADRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527661390 650681546 /nfs/dbraw/zinc/68/15/46/650681546.db2.gz POPGLHLFKHZKKO-MRVPVSSYSA-N 1 0 378.317 2.423 20 0 GEADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ncc(Cl)cc1Br ZINC000527676076 650681854 /nfs/dbraw/zinc/68/18/54/650681854.db2.gz WENKUQUGKVQSRG-SKDRFNHKSA-N 1 0 396.738 2.305 20 0 GEADRO CCSCc1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000483955689 650683693 /nfs/dbraw/zinc/68/36/93/650683693.db2.gz BOPWRHTUIUCALM-SFHVURJKSA-N 1 0 381.567 2.432 20 0 GEADRO COc1c(Br)cccc1C[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000527753575 650682061 /nfs/dbraw/zinc/68/20/61/650682061.db2.gz LGKBYYXBCOQSIX-SFHVURJKSA-N 1 0 399.329 2.163 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000527767111 650682639 /nfs/dbraw/zinc/68/26/39/650682639.db2.gz LDYYUBYXYUBMEM-UHFFFAOYSA-N 1 0 381.523 2.055 20 0 GEADRO CC[NH+]1CCC(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)CC1 ZINC000528302018 650687839 /nfs/dbraw/zinc/68/78/39/650687839.db2.gz SQZFPKLYBFOPJU-UHFFFAOYSA-N 1 0 385.917 2.012 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000528301899 650687887 /nfs/dbraw/zinc/68/78/87/650687887.db2.gz RXOVFIWXSJKJQK-UHFFFAOYSA-N 1 0 382.404 2.309 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2Br)[C@H](C)C1 ZINC000484718889 650689009 /nfs/dbraw/zinc/68/90/09/650689009.db2.gz KAMDYPHFDGDSBB-VXGBXAGGSA-N 1 0 388.281 2.185 20 0 GEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000527973048 650683927 /nfs/dbraw/zinc/68/39/27/650683927.db2.gz HCPPHULRUICRQK-FUHWJXTLSA-N 1 0 380.330 2.224 20 0 GEADRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000484768353 650690224 /nfs/dbraw/zinc/69/02/24/650690224.db2.gz QXANSURJABBVCY-MRXNPFEDSA-N 1 0 388.258 2.360 20 0 GEADRO CC[C@@H](C(=O)NC[C@H](O)COc1ccccc1Br)[NH+](CC)CC ZINC000483996198 650684132 /nfs/dbraw/zinc/68/41/32/650684132.db2.gz WJIJGTLTKDJJLM-ZFWWWQNUSA-N 1 0 387.318 2.425 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@]3(C)Br)cn2)CC1 ZINC000528015183 650684246 /nfs/dbraw/zinc/68/42/46/650684246.db2.gz HXXHXLJQWCFTJF-YOEHRIQHSA-N 1 0 381.318 2.013 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1Br ZINC000484031717 650684435 /nfs/dbraw/zinc/68/44/35/650684435.db2.gz BCCGFKPRUYLCQQ-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c(Cl)cc21 ZINC000528045719 650684677 /nfs/dbraw/zinc/68/46/77/650684677.db2.gz RIBGJWVAMOECMU-KRWDZBQOSA-N 1 0 387.933 2.291 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c(Cl)cc21 ZINC000528045721 650684683 /nfs/dbraw/zinc/68/46/83/650684683.db2.gz RIBGJWVAMOECMU-QGZVFWFLSA-N 1 0 387.933 2.291 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000484135158 650685410 /nfs/dbraw/zinc/68/54/10/650685410.db2.gz FPKWYGAHRLDPRF-RYUDHWBXSA-N 1 0 383.290 2.156 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000528376584 650691513 /nfs/dbraw/zinc/69/15/13/650691513.db2.gz VITXWKNDOXBRKS-UHFFFAOYSA-N 1 0 382.404 2.356 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)NC[C@@H]2COCC[NH2+]2)cc1Cl ZINC000528687241 650697930 /nfs/dbraw/zinc/69/79/30/650697930.db2.gz SMBWPBULWBKLLP-LLVKDONJSA-N 1 0 378.256 2.129 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000485151168 650693978 /nfs/dbraw/zinc/69/39/78/650693978.db2.gz SLIGRRLNWQVIBH-PWSUYJOCSA-N 1 0 380.901 2.165 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485619540 650698263 /nfs/dbraw/zinc/69/82/63/650698263.db2.gz KOSLQKCWRHXBGS-LBPRGKRZSA-N 1 0 394.313 2.105 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)[C@@H]1SC ZINC000485324507 650695140 /nfs/dbraw/zinc/69/51/40/650695140.db2.gz WIBPDJFMMGUMJQ-KFWWJZLASA-N 1 0 378.947 2.117 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000485712872 650699272 /nfs/dbraw/zinc/69/92/72/650699272.db2.gz OFGFTAYBIKLNSS-UHFFFAOYSA-N 1 0 379.866 2.018 20 0 GEADRO CC[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1cc(F)cc(Br)c1 ZINC000485807256 650700851 /nfs/dbraw/zinc/70/08/51/650700851.db2.gz RFARFSJXJSJYIO-HZPDHXFCSA-N 1 0 375.282 2.322 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000529327055 650702816 /nfs/dbraw/zinc/70/28/16/650702816.db2.gz AIKSTOMMABHSMV-AVGNSLFASA-N 1 0 386.265 2.122 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1cc(F)c(Br)cc1F ZINC000529345299 650703171 /nfs/dbraw/zinc/70/31/71/650703171.db2.gz UYAQOOHEULSVGE-UWVGGRQHSA-N 1 0 392.244 2.466 20 0 GEADRO C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)c1cc(F)c(Br)cc1F ZINC000529349788 650703539 /nfs/dbraw/zinc/70/35/39/650703539.db2.gz QYOZMTWBPYUFCM-VIFPVBQESA-N 1 0 390.228 2.172 20 0 GEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000529355007 650703749 /nfs/dbraw/zinc/70/37/49/650703749.db2.gz CAJVFEUYJVZHOG-PKOBYXMFSA-N 1 0 394.357 2.436 20 0 GEADRO C[C@H]1CN(Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1CCO ZINC000529551204 650703960 /nfs/dbraw/zinc/70/39/60/650703960.db2.gz WWEIIYKRPNTZRC-NSHDSACASA-N 1 0 385.331 2.399 20 0 GEADRO C[NH+](C)CCCNC(=O)CCOc1ccccc1I ZINC000486373336 650712699 /nfs/dbraw/zinc/71/26/99/650712699.db2.gz MLJTYIKNBJPSFE-UHFFFAOYSA-N 1 0 376.238 2.128 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000486655938 650717981 /nfs/dbraw/zinc/71/79/81/650717981.db2.gz JQSBCYAYBLHWLF-CZUORRHYSA-N 1 0 396.329 2.100 20 0 GEADRO C[NH+](C)C[C@H](c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](O)CCCN2C1=O ZINC000530215391 650718547 /nfs/dbraw/zinc/71/85/47/650718547.db2.gz WNRZVKJZBGQVIE-RBSFLKMASA-N 1 0 386.279 2.384 20 0 GEADRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000530214138 650718712 /nfs/dbraw/zinc/71/87/12/650718712.db2.gz BFGGVIMHNKWBHQ-QMTHXVAHSA-N 1 0 388.331 2.032 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(I)cc1 ZINC000530229288 650719006 /nfs/dbraw/zinc/71/90/06/650719006.db2.gz DXTCSPFFDKTKTP-CQSZACIVSA-N 1 0 387.265 2.160 20 0 GEADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000486807757 650722700 /nfs/dbraw/zinc/72/27/00/650722700.db2.gz AGLZKKLZKXNRIC-DLBZAZTESA-N 1 0 375.579 2.063 20 0 GEADRO CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000530577370 650727024 /nfs/dbraw/zinc/72/70/24/650727024.db2.gz PGCRFQOOLFNKGE-SJORKVTESA-N 1 0 380.330 2.449 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)C1CCOCC1 ZINC000530627539 650728166 /nfs/dbraw/zinc/72/81/66/650728166.db2.gz OSPWMEBLZQGWRK-UHFFFAOYSA-N 1 0 385.302 2.397 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N(CCO)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000487462591 650734029 /nfs/dbraw/zinc/73/40/29/650734029.db2.gz CJTRDUCGPWZPQW-XJKSGUPXSA-N 1 0 384.318 2.436 20 0 GEADRO COc1ccc(Br)cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000531096804 650734592 /nfs/dbraw/zinc/73/45/92/650734592.db2.gz BKNAUHFWXXCHKS-UHFFFAOYSA-N 1 0 383.286 2.395 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)COc1ccc(F)cc1Br ZINC000487830077 650738345 /nfs/dbraw/zinc/73/83/45/650738345.db2.gz DABSJRBSQPDXMO-CYBMUJFWSA-N 1 0 391.281 2.440 20 0 GEADRO C[N@H+](CC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@@H]1CCSC1 ZINC000488290746 650744308 /nfs/dbraw/zinc/74/43/08/650744308.db2.gz DSHCWDSORJMOSA-CQSZACIVSA-N 1 0 387.347 2.246 20 0 GEADRO COc1ccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c(I)c1 ZINC000532120828 650745136 /nfs/dbraw/zinc/74/51/36/650745136.db2.gz NYGQCUVSAOCHMK-NSHDSACASA-N 1 0 388.249 2.371 20 0 GEADRO CC[NH+]1CCC(NC(=O)CN(C)CCOc2ccc(Br)cc2)CC1 ZINC000015297989 642379585 /nfs/dbraw/zinc/37/95/85/642379585.db2.gz LWKVSMBCIAJXOB-UHFFFAOYSA-N 1 0 398.345 2.360 20 0 GEADRO COCCN1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000532514316 650749012 /nfs/dbraw/zinc/74/90/12/650749012.db2.gz MEWCRLPPDIJCND-CJNGLKHVSA-N 1 0 384.318 2.477 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(I)cc3)[C@H]2C1 ZINC000488798182 650750783 /nfs/dbraw/zinc/75/07/83/650750783.db2.gz JDMRKZYNRSDAGU-HIFRSBDPSA-N 1 0 384.261 2.386 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000532873094 650754301 /nfs/dbraw/zinc/75/43/01/650754301.db2.gz MSBNAMDGJCKRLL-CJNGLKHVSA-N 1 0 385.917 2.268 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000489350894 650757967 /nfs/dbraw/zinc/75/79/67/650757967.db2.gz ANEPLBZOYQXZKG-IRXDYDNUSA-N 1 0 398.345 2.408 20 0 GEADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)Cc1ccccc1 ZINC000032434814 642494183 /nfs/dbraw/zinc/49/41/83/642494183.db2.gz IMKIHBGVXAFDND-HNNXBMFYSA-N 1 0 384.933 2.305 20 0 GEADRO [NH3+]CCCCNS(=O)(=O)c1cc(Br)ccc1Br ZINC000037714569 642514660 /nfs/dbraw/zinc/51/46/60/642514660.db2.gz QZISZENGJNNJJZ-UHFFFAOYSA-N 1 0 386.109 2.229 20 0 GEADRO Brc1csc(-c2noc(CN3CCN([C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000489863290 650764831 /nfs/dbraw/zinc/76/48/31/650764831.db2.gz YEEVJLLNVOGODA-LBPRGKRZSA-N 1 0 398.330 2.040 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000041240904 642527130 /nfs/dbraw/zinc/52/71/30/642527130.db2.gz BJTNWJDUTGOQRM-UHFFFAOYSA-N 1 0 384.249 2.270 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(Br)c2)C[C@H](C)O1 ZINC000041275467 642527991 /nfs/dbraw/zinc/52/79/91/642527991.db2.gz OVJLPNAVMBSBHV-STQMWFEESA-N 1 0 398.301 2.003 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC[N@@H+](C)C(C)C)s1 ZINC000041929050 642536196 /nfs/dbraw/zinc/53/61/96/642536196.db2.gz DWBSJFLUYFXQGP-HNNXBMFYSA-N 1 0 387.571 2.056 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000041928782 642536342 /nfs/dbraw/zinc/53/63/42/642536342.db2.gz IGEFWQDJFSECHL-UHFFFAOYSA-N 1 0 387.571 2.383 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1SC(F)F ZINC000041923726 642536364 /nfs/dbraw/zinc/53/63/64/642536364.db2.gz VPIIZCPRLGZCRJ-UHFFFAOYSA-N 1 0 375.441 2.024 20 0 GEADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490003473 650766378 /nfs/dbraw/zinc/76/63/78/650766378.db2.gz IXCIAIBLQZGFMR-AWEZNQCLSA-N 1 0 377.279 2.352 20 0 GEADRO C[C@H]1C[C@H](C)CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000042169443 642544817 /nfs/dbraw/zinc/54/48/17/642544817.db2.gz BLPQKWIMHHQOKT-HOTGVXAUSA-N 1 0 375.604 2.160 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)NNC(=O)c2ccccc2Br)CC1 ZINC000043179685 642559058 /nfs/dbraw/zinc/55/90/58/642559058.db2.gz KKVULLAWCXHRMC-UHFFFAOYSA-N 1 0 383.290 2.266 20 0 GEADRO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000043589995 642562258 /nfs/dbraw/zinc/56/22/58/642562258.db2.gz ZVNMGDYAFLZYHU-OAHLLOKOSA-N 1 0 387.571 2.058 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cncc(Br)c1)C[NH+]1CCCCC1 ZINC000044257154 642572609 /nfs/dbraw/zinc/57/26/09/642572609.db2.gz MVMUBVVEHPTPOJ-GFCCVEGCSA-N 1 0 376.320 2.244 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000044509082 642579944 /nfs/dbraw/zinc/57/99/44/642579944.db2.gz IGVNVCAWAOGJCM-UHFFFAOYSA-N 1 0 397.722 2.389 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045137163 642589731 /nfs/dbraw/zinc/58/97/31/642589731.db2.gz LUKPGNFRTQDVDP-GFCCVEGCSA-N 1 0 382.302 2.258 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000534422105 650774866 /nfs/dbraw/zinc/77/48/66/650774866.db2.gz USUGRKISFXAPCL-UHFFFAOYSA-N 1 0 394.896 2.373 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Br)c[nH]1 ZINC000534183330 650770415 /nfs/dbraw/zinc/77/04/15/650770415.db2.gz YGGFVKVYZIAHQZ-HOCLYGCPSA-N 1 0 392.297 2.390 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Br)c[nH]1 ZINC000534183329 650770437 /nfs/dbraw/zinc/77/04/37/650770437.db2.gz YGGFVKVYZIAHQZ-GOEBONIOSA-N 1 0 392.297 2.390 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000046956500 642620837 /nfs/dbraw/zinc/62/08/37/642620837.db2.gz ASFUZFDOJVHXSV-CQSZACIVSA-N 1 0 396.329 2.416 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2cc(F)cc(Cl)c2)ccn1 ZINC000534241784 650771395 /nfs/dbraw/zinc/77/13/95/650771395.db2.gz NIVQCDNMHOXGJA-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO C[NH+](C)CCCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000047156566 642622449 /nfs/dbraw/zinc/62/24/49/642622449.db2.gz NAZUVKRVNOXUQJ-UHFFFAOYSA-N 1 0 394.324 2.116 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000534379765 650773629 /nfs/dbraw/zinc/77/36/29/650773629.db2.gz WRGQJAJJIBVCJQ-BZNIZROVSA-N 1 0 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C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000498373987 650855185 /nfs/dbraw/zinc/85/51/85/650855185.db2.gz KOZFQSYTHVWITB-PXAZEXFGSA-N 1 0 389.327 2.184 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Br)cc2OC)CC1 ZINC000498354106 650855208 /nfs/dbraw/zinc/85/52/08/650855208.db2.gz ORGLAVSOWDCNLJ-CYBMUJFWSA-N 1 0 384.318 2.214 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C1 ZINC000122455279 643655312 /nfs/dbraw/zinc/65/53/12/643655312.db2.gz HSYBXWHCUVFVSW-CYBMUJFWSA-N 1 0 387.933 2.004 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000122564308 643658615 /nfs/dbraw/zinc/65/86/15/643658615.db2.gz DLLSRTNTUAFEKN-LBPRGKRZSA-N 1 0 397.488 2.213 20 0 GEADRO COC(=O)[C@H]1CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124185993 643682408 /nfs/dbraw/zinc/68/24/08/643682408.db2.gz ZXRZPLHGVVIPPZ-NSHDSACASA-N 1 0 380.242 2.002 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000540165189 650858594 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Cc1cc(COc2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2Br)on1 ZINC000126046434 643720094 /nfs/dbraw/zinc/72/00/94/643720094.db2.gz HYQBGPMBZUMJPN-GFCCVEGCSA-N 1 0 380.242 2.416 20 0 GEADRO Cc1cc(COc2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2Br)on1 ZINC000126046661 643720146 /nfs/dbraw/zinc/72/01/46/643720146.db2.gz HYQBGPMBZUMJPN-LBPRGKRZSA-N 1 0 380.242 2.416 20 0 GEADRO O=C(Nc1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1)c1ccc(Br)o1 ZINC000126254050 643726195 /nfs/dbraw/zinc/72/61/95/643726195.db2.gz IOJMNBRFTPFPDO-GFCCVEGCSA-N 1 0 378.226 2.386 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000498644837 650861945 /nfs/dbraw/zinc/86/19/45/650861945.db2.gz TWYHZIGANIVEIS-VIFPVBQESA-N 1 0 395.294 2.062 20 0 GEADRO CC[N@H+](C)CCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000498736916 650863378 /nfs/dbraw/zinc/86/33/78/650863378.db2.gz HXDSJTRQNIGYLA-UHFFFAOYSA-N 1 0 376.507 2.254 20 0 GEADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000127188613 643762816 /nfs/dbraw/zinc/76/28/16/643762816.db2.gz JYXLGJWKMVVWCV-UHFFFAOYSA-N 1 0 385.711 2.341 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(O)c(Br)c1 ZINC000127247366 643765703 /nfs/dbraw/zinc/76/57/03/643765703.db2.gz HSRBSFBXTIVNBY-ZDUSSCGKSA-N 1 0 386.290 2.065 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C1)c1cccn1-c1cccc(I)c1 ZINC000127355013 643772965 /nfs/dbraw/zinc/77/29/65/643772965.db2.gz YNBDYHAWGOTRHI-LBPRGKRZSA-N 1 0 381.217 2.174 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1-n1cncn1 ZINC000127391523 643774702 /nfs/dbraw/zinc/77/47/02/643774702.db2.gz HSZRZLFPTWGRFH-UHFFFAOYSA-N 1 0 390.285 2.386 20 0 GEADRO CSc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000127407343 643775552 /nfs/dbraw/zinc/77/55/52/643775552.db2.gz UTIVJCLURWPPPH-ROUUACIJSA-N 1 0 384.567 2.455 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000128576876 643805416 /nfs/dbraw/zinc/80/54/16/643805416.db2.gz HPVAQPMVEYGJEY-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000128949295 643815354 /nfs/dbraw/zinc/81/53/54/643815354.db2.gz PCYAJKVZMWEYBQ-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000541036764 650869274 /nfs/dbraw/zinc/86/92/74/650869274.db2.gz ORCGUBHEZMXPFN-BLLLJJGKSA-N 1 0 382.302 2.409 20 0 GEADRO CC(C)N(CCS(C)(=O)=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000131084986 643862797 /nfs/dbraw/zinc/86/27/97/643862797.db2.gz ADPBEOVRKSHOAL-HOTGVXAUSA-N 1 0 375.579 2.208 20 0 GEADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000131260930 643868950 /nfs/dbraw/zinc/86/89/50/643868950.db2.gz GOWJOUZGGAGRTG-WCQYABFASA-N 1 0 379.309 2.401 20 0 GEADRO Cc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000131265679 643868996 /nfs/dbraw/zinc/86/89/96/643868996.db2.gz YKCCAWYBMMYYTO-INIZCTEOSA-N 1 0 394.313 2.312 20 0 GEADRO O=C(Cc1ccc(Br)s1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131673236 643876446 /nfs/dbraw/zinc/87/64/46/643876446.db2.gz IQGDKVQCGIVKNR-GFCCVEGCSA-N 1 0 375.332 2.406 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134320329 643903702 /nfs/dbraw/zinc/90/37/02/643903702.db2.gz GVIFGCJKIVFRPH-QGZVFWFLSA-N 1 0 386.323 2.267 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000134606470 643905564 /nfs/dbraw/zinc/90/55/64/643905564.db2.gz FEZFYEHGHJHSOH-UHFFFAOYSA-N 1 0 385.917 2.096 20 0 GEADRO C[C@H](Cn1cccn1)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000138927284 643923799 /nfs/dbraw/zinc/92/37/99/643923799.db2.gz NIYISTQJJXCWBC-GFCCVEGCSA-N 1 0 377.388 2.234 20 0 GEADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000151290110 643935909 /nfs/dbraw/zinc/93/59/09/643935909.db2.gz ZNTYDWPAHRURNT-CJNGLKHVSA-N 1 0 396.329 2.366 20 0 GEADRO Cn1cc(Br)cc1C[N@H+](C)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000151616300 643950011 /nfs/dbraw/zinc/95/00/11/643950011.db2.gz WHWZCFSHVHQAHE-AWEZNQCLSA-N 1 0 397.269 2.388 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C[N@@H+]1C1CC1 ZINC000151824373 643955048 /nfs/dbraw/zinc/95/50/48/643955048.db2.gz CPDGQWIAYQZEQB-GXSJLCMTSA-N 1 0 384.249 2.268 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC(C)(C)C[NH3+])ccc2Cl)C1 ZINC000151886836 643958352 /nfs/dbraw/zinc/95/83/52/643958352.db2.gz DANONRMYXFOXNY-GFCCVEGCSA-N 1 0 387.933 2.228 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Br)c1 ZINC000151917725 643961334 /nfs/dbraw/zinc/96/13/34/643961334.db2.gz AILQLDAMTTWDCH-GHMZBOCLSA-N 1 0 396.285 2.138 20 0 GEADRO COCC[NH2+]CCNC(=O)c1ccc(-c2ccccc2Br)n1C ZINC000152383574 643967306 /nfs/dbraw/zinc/96/73/06/643967306.db2.gz XMDPBNVFQNGBDW-UHFFFAOYSA-N 1 0 380.286 2.420 20 0 GEADRO [NH2+]=C(NCCc1ccccc1)NC[C@@H](O)COc1ccccc1Br ZINC000153202863 643980196 /nfs/dbraw/zinc/98/01/96/643980196.db2.gz UWGHCEJDOWSRCU-OAHLLOKOSA-N 1 0 392.297 2.336 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nc3c(s2)CSCC3)C[C@H]1C ZINC000499384402 650881552 /nfs/dbraw/zinc/88/15/52/650881552.db2.gz RBWFSBKZQWIOTC-NEPJUHHUSA-N 1 0 382.555 2.202 20 0 GEADRO C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C[C@H](C)[NH2+]1 ZINC000153546785 643991579 /nfs/dbraw/zinc/99/15/79/643991579.db2.gz NCFISAYQIRHKLD-RYUDHWBXSA-N 1 0 399.563 2.111 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000153576024 643994558 /nfs/dbraw/zinc/99/45/58/643994558.db2.gz OQMWUYOGQYYPNE-ZDUSSCGKSA-N 1 0 382.302 2.170 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCOc2cccc(Br)c2)CC1 ZINC000499411128 650883126 /nfs/dbraw/zinc/88/31/26/650883126.db2.gz CRSBKSXQQGPDDV-QGZVFWFLSA-N 1 0 396.329 2.066 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000154017813 644015384 /nfs/dbraw/zinc/01/53/84/644015384.db2.gz UOYJMZCESCRMGJ-QWHCGFSZSA-N 1 0 380.286 2.391 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000154265007 644029858 /nfs/dbraw/zinc/02/98/58/644029858.db2.gz CJQWTXDPWCTERE-UHFFFAOYSA-N 1 0 384.318 2.437 20 0 GEADRO C[C@@H](CNC(=O)c1c(F)cc(Br)cc1F)C[NH+]1CCN(C)CC1 ZINC000154308519 644033579 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20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000156393757 644093752 /nfs/dbraw/zinc/09/37/52/644093752.db2.gz NPHCKZVZINOGDO-INWMFGNUSA-N 1 0 381.929 2.441 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(I)c[nH]1 ZINC000156474125 644097720 /nfs/dbraw/zinc/09/77/20/644097720.db2.gz BPHUSUAACXCXHG-UHFFFAOYSA-N 1 0 387.221 2.416 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000156489931 644098491 /nfs/dbraw/zinc/09/84/91/644098491.db2.gz ZAIDASWLRLFMOP-HZSPNIEDSA-N 1 0 394.313 2.388 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CC[C@@H]1CCCO1 ZINC000156525386 644100576 /nfs/dbraw/zinc/10/05/76/644100576.db2.gz LYUJXHFUDDCNGE-HNNXBMFYSA-N 1 0 376.469 2.227 20 0 GEADRO CS[C@H]1CN(C(=O)CSc2nc(-c3ccccc3)no2)C[C@@H]1[NH+](C)C ZINC000542652367 650891826 /nfs/dbraw/zinc/89/18/26/650891826.db2.gz JALRFANWYZGRSS-KBPBESRZSA-N 1 0 378.523 2.333 20 0 GEADRO CS[C@H]1CN(C(=O)CSc2nc(-c3ccccc3)no2)C[C@H]1[NH+](C)C ZINC000542652368 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Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000161722707 644217372 /nfs/dbraw/zinc/21/73/72/644217372.db2.gz LQCUSSAYBPLXPB-CHWSQXEVSA-N 1 0 378.274 2.338 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2=O)ccc1Br ZINC000161735068 644217402 /nfs/dbraw/zinc/21/74/02/644217402.db2.gz QFFLITYFVXNJQD-RDBSUJKOSA-N 1 0 394.313 2.497 20 0 GEADRO NC(=O)C[C@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)C1CCOCC1 ZINC000161922694 644225951 /nfs/dbraw/zinc/22/59/51/644225951.db2.gz FQTYWZZXWISWBE-ZDUSSCGKSA-N 1 0 381.274 2.086 20 0 GEADRO NC(=O)[C@H]([NH2+]CCCNC(=O)c1cccs1)c1cccc(Br)c1 ZINC000162032577 644229816 /nfs/dbraw/zinc/22/98/16/644229816.db2.gz OYCVHSGVBNAPNA-CQSZACIVSA-N 1 0 396.310 2.447 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000162121100 644232562 /nfs/dbraw/zinc/23/25/62/644232562.db2.gz LIWZNWBYQFWNGP-LLVKDONJSA-N 1 0 392.275 2.120 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000162154747 644233324 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CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000178930806 644444872 /nfs/dbraw/zinc/44/48/72/644444872.db2.gz YHWHLTMQHPMZED-LLVKDONJSA-N 1 0 377.869 2.200 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(OC)ccc1Br ZINC000178932465 644445369 /nfs/dbraw/zinc/44/53/69/644445369.db2.gz GDYBMPCBELAZID-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccnc1Br)[NH+](C)C ZINC000179727735 644472588 /nfs/dbraw/zinc/47/25/88/644472588.db2.gz SNZBFZYJYVTSIP-ZDUSSCGKSA-N 1 0 385.306 2.265 20 0 GEADRO Cc1cc(Br)cc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1O ZINC000180616698 644510271 /nfs/dbraw/zinc/51/02/71/644510271.db2.gz JFUAFYVTQPNCLW-MRXNPFEDSA-N 1 0 396.329 2.202 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000181045409 644520863 /nfs/dbraw/zinc/52/08/63/644520863.db2.gz VSTLMIHFKRQPPT-OLZOCXBDSA-N 1 0 381.523 2.184 20 0 GEADRO CC(C)(C)OC(=O)CCCC[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000544133454 650935721 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Cc1nc(-c2ccc(CCNC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)s2)cs1 ZINC000545176942 650964346 /nfs/dbraw/zinc/96/43/46/650964346.db2.gz XPACWNQUFRNOIF-KRWDZBQOSA-N 1 0 380.539 2.088 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2ccc(Br)cc2C)CC1 ZINC000181878868 644951530 /nfs/dbraw/zinc/95/15/30/644951530.db2.gz SKTSSTIQEXEQAN-HNNXBMFYSA-N 1 0 382.346 2.442 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(Br)n1 ZINC000182160788 644958810 /nfs/dbraw/zinc/95/88/10/644958810.db2.gz FZJJLKOZSDCTBK-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cccnc1Br)[NH+]1CCCCC1 ZINC000182160694 644958945 /nfs/dbraw/zinc/95/89/45/644958945.db2.gz KEHBKUFQSWVPEW-GFCCVEGCSA-N 1 0 383.290 2.163 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cnc1Br ZINC000182681361 644967190 /nfs/dbraw/zinc/96/71/90/644967190.db2.gz VUHLUDJCVNRMOO-WCQYABFASA-N 1 0 397.317 2.328 20 0 GEADRO C[NH+](C)CC1(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CCC1 ZINC000545252173 650966857 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COC[C@@H](O)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185874921 645056056 /nfs/dbraw/zinc/05/60/56/645056056.db2.gz BQYDJOUDUNEFNH-JTQLQIEISA-N 1 0 382.096 2.281 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000187008856 645078727 /nfs/dbraw/zinc/07/87/27/645078727.db2.gz WZCPZQSVFNKSPD-UHFFFAOYSA-N 1 0 387.933 2.147 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187042583 645080553 /nfs/dbraw/zinc/08/05/53/645080553.db2.gz ZFINEXHNEWZMKI-AWEZNQCLSA-N 1 0 384.318 2.402 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1CCS(=O)(=O)CC1 ZINC000187487181 645091745 /nfs/dbraw/zinc/09/17/45/645091745.db2.gz BMZJZPLYZLJTCD-ZBEGNZNMSA-N 1 0 388.892 2.387 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188112064 645108850 /nfs/dbraw/zinc/10/88/50/645108850.db2.gz SOMSPXZTGZUBKO-CYBMUJFWSA-N 1 0 382.302 2.496 20 0 GEADRO Cn1cnc(S(=O)(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1Cl ZINC000188224830 645110335 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C[C@H](CCc1ccc(Br)cc1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545885478 650983603 /nfs/dbraw/zinc/98/36/03/650983603.db2.gz XGWMWUZYMJXZRX-DYVFJYSZSA-N 1 0 384.318 2.136 20 0 GEADRO CC(C)OCCCNC(=O)C1CC[NH+](CCI)CC1 ZINC000190815553 645165503 /nfs/dbraw/zinc/16/55/03/645165503.db2.gz PELNCSPHNGHGCQ-UHFFFAOYSA-N 1 0 382.286 2.065 20 0 GEADRO CN1C(=O)C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000192157347 645197090 /nfs/dbraw/zinc/19/70/90/645197090.db2.gz WCNUSTAQZZJTBL-JSGCOSHPSA-N 1 0 377.794 2.270 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000192526600 645210622 /nfs/dbraw/zinc/21/06/22/645210622.db2.gz FMZCISAPYXVBNK-BDJLRTHQSA-N 1 0 399.310 2.481 20 0 GEADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CSCCS3)CC2)c1 ZINC000192538377 645210667 /nfs/dbraw/zinc/21/06/67/645210667.db2.gz DZQABNKAMMUGHQ-SFHVURJKSA-N 1 0 379.595 2.472 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)ncc1Br ZINC000192859981 645226629 /nfs/dbraw/zinc/22/66/29/645226629.db2.gz HXFAKEJFGJMHOO-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192872662 645227234 /nfs/dbraw/zinc/22/72/34/645227234.db2.gz UXHLGCPHRLKANI-UHFFFAOYSA-N 1 0 394.313 2.478 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)ccc1Br ZINC000192903677 645229020 /nfs/dbraw/zinc/22/90/20/645229020.db2.gz IPSUZPQPVJCPOX-GFCCVEGCSA-N 1 0 385.306 2.184 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000192921630 645230059 /nfs/dbraw/zinc/23/00/59/645230059.db2.gz JZJSWECYRQDQAM-CQSZACIVSA-N 1 0 397.317 2.409 20 0 GEADRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000192932368 645232164 /nfs/dbraw/zinc/23/21/64/645232164.db2.gz BDWGDBJFXHVCAJ-HOTGVXAUSA-N 1 0 387.571 2.104 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000193101508 645241350 /nfs/dbraw/zinc/24/13/50/645241350.db2.gz LYFLCXWKVUTSPE-UHFFFAOYSA-N 1 0 399.866 2.275 20 0 GEADRO [NH3+][C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)C1 ZINC000193224011 645252839 /nfs/dbraw/zinc/25/28/39/645252839.db2.gz RFKNVUZDLCMWLM-GJZGRUSLSA-N 1 0 388.917 2.400 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000193241194 645254797 /nfs/dbraw/zinc/25/47/97/645254797.db2.gz AVIBAUZVQXKTSG-ZACCUICWSA-N 1 0 377.279 2.458 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193245057 645255283 /nfs/dbraw/zinc/25/52/83/645255283.db2.gz BTNRJZSFEVVIEJ-ZDUSSCGKSA-N 1 0 383.290 2.163 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193256879 645256671 /nfs/dbraw/zinc/25/66/71/645256671.db2.gz GZZSOJBXRZFUKH-CABCVRRESA-N 1 0 388.917 2.318 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000193264942 645257659 /nfs/dbraw/zinc/25/76/59/645257659.db2.gz XHCMTZVHAPKTRM-GFCCVEGCSA-N 1 0 377.304 2.220 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000193272539 645259079 /nfs/dbraw/zinc/25/90/79/645259079.db2.gz QMXVTKQLSCNYLN-JTQLQIEISA-N 1 0 395.294 2.265 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000546173185 650994324 /nfs/dbraw/zinc/99/43/24/650994324.db2.gz SUNFFRGCJITLLR-XHDPSFHLSA-N 1 0 389.315 2.172 20 0 GEADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193280631 645260130 /nfs/dbraw/zinc/26/01/30/645260130.db2.gz UZKCFPGKHXBLCH-UHFFFAOYSA-N 1 0 380.286 2.088 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ncc1Br ZINC000193283030 645261021 /nfs/dbraw/zinc/26/10/21/645261021.db2.gz AOLNGUVDUAVZPO-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)[C@@H]1C[NH3+] ZINC000193286597 645262050 /nfs/dbraw/zinc/26/20/50/645262050.db2.gz YHYBOVPYUKZWFQ-GXFFZTMASA-N 1 0 389.315 2.132 20 0 GEADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000193293660 645263450 /nfs/dbraw/zinc/26/34/50/645263450.db2.gz PVMZKCNRJLUUBZ-JTQLQIEISA-N 1 0 387.221 2.484 20 0 GEADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000193323566 645267385 /nfs/dbraw/zinc/26/73/85/645267385.db2.gz IWEYLCJUUJHVIO-OCAPTIKFSA-N 1 0 383.670 2.082 20 0 GEADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccoc3Br)ccn2)CC1 ZINC000193424498 645272162 /nfs/dbraw/zinc/27/21/62/645272162.db2.gz QCSYKJITLBAOGR-UHFFFAOYSA-N 1 0 379.258 2.119 20 0 GEADRO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000546212243 650996104 /nfs/dbraw/zinc/99/61/04/650996104.db2.gz HVBRNCUEKFXRBC-KBPBESRZSA-N 1 0 388.295 2.269 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000193574045 645285305 /nfs/dbraw/zinc/28/53/05/645285305.db2.gz UZRHXISKFPFBCL-AAEUAGOBSA-N 1 0 399.563 2.158 20 0 GEADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193615811 645290333 /nfs/dbraw/zinc/29/03/33/645290333.db2.gz GTUGBAFTXDLHPA-UHFFFAOYSA-N 1 0 383.290 2.019 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000193706053 645292063 /nfs/dbraw/zinc/29/20/63/645292063.db2.gz FIBGZSOPTHKVQS-ZDUSSCGKSA-N 1 0 388.295 2.218 20 0 GEADRO CNc1ncnc2c1cnn2C[C@@H](O)COc1ccc(Br)cc1 ZINC000193759078 645296851 /nfs/dbraw/zinc/29/68/51/645296851.db2.gz JHVZEMPFXANHQH-LLVKDONJSA-N 1 0 378.230 2.070 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000194058504 645310356 /nfs/dbraw/zinc/31/03/56/645310356.db2.gz MIBUQQQITPJGSM-CQSZACIVSA-N 1 0 395.301 2.260 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ncc1Br ZINC000194069494 645311123 /nfs/dbraw/zinc/31/11/23/645311123.db2.gz JBTHSUXDWLXPND-CYBMUJFWSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)ncc1Br ZINC000194069507 645311282 /nfs/dbraw/zinc/31/12/82/645311282.db2.gz JBTHSUXDWLXPND-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194099174 645312430 /nfs/dbraw/zinc/31/24/30/645312430.db2.gz RBZXKBPRKTXEIJ-QLFBSQMISA-N 1 0 378.485 2.188 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000194400164 645326496 /nfs/dbraw/zinc/32/64/96/645326496.db2.gz MSECWIQNGIWBPG-UHFFFAOYSA-N 1 0 385.306 2.281 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194525334 645331258 /nfs/dbraw/zinc/33/12/58/645331258.db2.gz QXERVUAOLBPGKH-QGZVFWFLSA-N 1 0 397.313 2.058 20 0 GEADRO Cc1c([C@H](C)NC[C@]2(O)CC[N@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000546574959 651002622 /nfs/dbraw/zinc/00/26/22/651002622.db2.gz NBFUXMFKNYQAIB-YVEFUNNKSA-N 1 0 394.317 2.055 20 0 GEADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000546571927 651002637 /nfs/dbraw/zinc/00/26/37/651002637.db2.gz ZFTHHPNPSVDZLC-RDJZCZTQSA-N 1 0 385.302 2.035 20 0 GEADRO C[C@H]([NH3+])CNC(=O)c1cc(Br)ccc1I ZINC000194959927 645350729 /nfs/dbraw/zinc/35/07/29/645350729.db2.gz PTXYSZROUPHMSC-LURJTMIESA-N 1 0 383.027 2.131 20 0 GEADRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)nn1-c1ccc(Cl)cc1Cl ZINC000546585434 651003407 /nfs/dbraw/zinc/00/34/07/651003407.db2.gz NIDOOGVBGVZELB-KRWDZBQOSA-N 1 0 383.279 2.284 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216007025 645385286 /nfs/dbraw/zinc/38/52/86/645385286.db2.gz LWEXOFRUMPTXST-WDEREUQCSA-N 1 0 377.304 2.206 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)C[C@@H]21 ZINC000226079863 645390042 /nfs/dbraw/zinc/39/00/42/645390042.db2.gz BXTGXJMMLVAJDM-XHVZSJERSA-N 1 0 377.279 2.336 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CCO1 ZINC000226297365 645390398 /nfs/dbraw/zinc/39/03/98/645390398.db2.gz FDVIUMFLUKJMJJ-PRHODGIISA-N 1 0 394.640 2.133 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CCO1 ZINC000226295373 645390621 /nfs/dbraw/zinc/39/06/21/645390621.db2.gz HIVGPIDENWSFNQ-QPUJVOFHSA-N 1 0 394.640 2.133 20 0 GEADRO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000228314424 645395566 /nfs/dbraw/zinc/39/55/66/645395566.db2.gz MGMRPKOUWSYOLN-SECBINFHSA-N 1 0 383.105 2.488 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000230346488 645398693 /nfs/dbraw/zinc/39/86/93/645398693.db2.gz MNYWULDZKNBKCI-UHFFFAOYSA-N 1 0 379.295 2.492 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000234927236 645407721 /nfs/dbraw/zinc/40/77/21/645407721.db2.gz OEODSQLIRWPAKK-ZJUUUORDSA-N 1 0 397.722 2.229 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 ZINC000235181826 645408324 /nfs/dbraw/zinc/40/83/24/645408324.db2.gz VRULKRXTOYBIDZ-PELKAZGASA-N 1 0 392.091 2.400 20 0 GEADRO O=S1(=O)CC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000236577545 645411992 /nfs/dbraw/zinc/41/19/92/645411992.db2.gz LEOKVWOVHNMDBV-LLVKDONJSA-N 1 0 384.299 2.364 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000236578759 645412566 /nfs/dbraw/zinc/41/25/66/645412566.db2.gz DIEYREBYPIFQGR-CHWSQXEVSA-N 1 0 380.286 2.060 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236590263 645413255 /nfs/dbraw/zinc/41/32/55/645413255.db2.gz OWDMBGVCUVEEFD-QWHCGFSZSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000236621271 645414457 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C[NH2+]CCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000237137172 645424011 /nfs/dbraw/zinc/42/40/11/645424011.db2.gz BLPTUOPQJRMGEJ-UHFFFAOYSA-N 1 0 377.286 2.463 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CC1CC[NH2+]CC1 ZINC000237139017 645424176 /nfs/dbraw/zinc/42/41/76/645424176.db2.gz MDZNMYQXEVNRML-UHFFFAOYSA-N 1 0 396.329 2.304 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)NC[C@H](C)C[NH3+] ZINC000237189576 645426051 /nfs/dbraw/zinc/42/60/51/645426051.db2.gz AEOZRZFLVIQJGL-SSDOTTSWSA-N 1 0 382.629 2.278 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(Br)o1 ZINC000546779002 651009988 /nfs/dbraw/zinc/00/99/88/651009988.db2.gz SOVOUTBJQBHNGY-UHFFFAOYSA-N 1 0 388.287 2.190 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1 ZINC000237207686 645426654 /nfs/dbraw/zinc/42/66/54/645426654.db2.gz WEMYEVGMDLITNG-NSHDSACASA-N 1 0 377.869 2.058 20 0 GEADRO COc1cc(C[NH2+]CCn2cccn2)cc(I)c1OC ZINC000237207746 645426964 /nfs/dbraw/zinc/42/69/64/645426964.db2.gz YZHRZEFNFOIFRI-UHFFFAOYSA-N 1 0 387.221 2.295 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NC2(C[NH3+])CCCC2)cc1Br ZINC000237207697 645427001 /nfs/dbraw/zinc/42/70/01/645427001.db2.gz DQNWKJOYCDZCBI-UHFFFAOYSA-N 1 0 393.303 2.016 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)C1 ZINC000237318371 645428379 /nfs/dbraw/zinc/42/83/79/645428379.db2.gz ZUXSEFVYXVJGQI-GFCCVEGCSA-N 1 0 389.315 2.272 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)COc2ccc(I)cc2)C1 ZINC000237467984 645433413 /nfs/dbraw/zinc/43/34/13/645433413.db2.gz GGQSAHWLEYDONI-NWDGAFQWSA-N 1 0 388.249 2.256 20 0 GEADRO C[C@@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)CCC[NH2+]C1 ZINC000237492809 645433802 /nfs/dbraw/zinc/43/38/02/645433802.db2.gz UAOUEGOQIXMRAK-QGZVFWFLSA-N 1 0 382.302 2.075 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000237507774 645434785 /nfs/dbraw/zinc/43/47/85/645434785.db2.gz FGULRRISJXUSKA-TVQRCGJNSA-N 1 0 392.275 2.105 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1Br ZINC000237557238 645435879 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2.043 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N[C@](C)(C[NH3+])C3CC3)CC2=O)ccc1Br ZINC000237791176 645441146 /nfs/dbraw/zinc/44/11/46/645441146.db2.gz BKCMZGJEXBCGRR-KPZWWZAWSA-N 1 0 394.313 2.354 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000237827223 645444261 /nfs/dbraw/zinc/44/42/61/645444261.db2.gz FHIOWANYDCYXIA-UHFFFAOYSA-N 1 0 395.294 2.107 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000237837015 645445094 /nfs/dbraw/zinc/44/50/94/645445094.db2.gz OCCLROGCIFBLIJ-MRXNPFEDSA-N 1 0 381.929 2.110 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000237849209 645445595 /nfs/dbraw/zinc/44/55/95/645445595.db2.gz KNWUAYBIVIAZML-ZDUSSCGKSA-N 1 0 385.917 2.078 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000237859395 645446484 /nfs/dbraw/zinc/44/64/84/645446484.db2.gz KTMCRZQONOIIMN-BBRMVZONSA-N 1 0 381.929 2.361 20 0 GEADRO COC(=O)[C@@H](C)C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C1CC1 ZINC000245387189 645452339 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C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000247056975 645503381 /nfs/dbraw/zinc/50/33/81/645503381.db2.gz GPRNWLXTEHRJCE-UONOGXRCSA-N 1 0 394.313 2.260 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000247429964 645509922 /nfs/dbraw/zinc/50/99/22/645509922.db2.gz OPSUHGUNACSWDM-MLGOLLRUSA-N 1 0 387.933 2.003 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)CC[C@H](C)O ZINC000247474010 645510042 /nfs/dbraw/zinc/51/00/42/645510042.db2.gz JMIRCPZZHGWKIB-WDEREUQCSA-N 1 0 376.238 2.321 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000247541102 645512184 /nfs/dbraw/zinc/51/21/84/645512184.db2.gz CZSZWZKSMUDVFH-IHRRRGAJSA-N 1 0 384.318 2.163 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Cl)c1 ZINC000247549596 645513419 /nfs/dbraw/zinc/51/34/19/645513419.db2.gz QTPVVLTZOSSFPJ-DZGCQCFKSA-N 1 0 386.901 2.231 20 0 GEADRO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000247771322 645518310 /nfs/dbraw/zinc/51/83/10/645518310.db2.gz ZSYFZFWYTALMCJ-DZGCQCFKSA-N 1 0 396.329 2.254 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(F)c(Br)cc3F)C[C@H]12 ZINC000248698538 645534001 /nfs/dbraw/zinc/53/40/01/645534001.db2.gz ZEMJLCVTGFUSHC-YVZVNANGSA-N 1 0 381.242 2.085 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC=C(c2cccc(Br)c2)CC1 ZINC000547274857 651020305 /nfs/dbraw/zinc/02/03/05/651020305.db2.gz FNFFWFMIDQQJKQ-GOSISDBHSA-N 1 0 390.325 2.455 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C)n2)[C@@H](C)C1 ZINC000248757874 645538102 /nfs/dbraw/zinc/53/81/02/645538102.db2.gz XBCJBSGUYQYPEO-FZMZJTMJSA-N 1 0 397.317 2.280 20 0 GEADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccoc1Br ZINC000248763854 645538144 /nfs/dbraw/zinc/53/81/44/645538144.db2.gz KGAOXENRSLGZDD-UONOGXRCSA-N 1 0 379.254 2.407 20 0 GEADRO C[NH+]1CCC(CNc2ncnc3cccc(I)c32)CC1 ZINC000547280376 651020609 /nfs/dbraw/zinc/02/06/09/651020609.db2.gz ZOQMVCPKDMOTHB-UHFFFAOYSA-N 1 0 382.249 2.988 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000547290356 651021151 /nfs/dbraw/zinc/02/11/51/651021151.db2.gz WYXNUWDZSRHSCE-INIZCTEOSA-N 1 0 386.290 2.424 20 0 GEADRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000249155308 645546947 /nfs/dbraw/zinc/54/69/47/645546947.db2.gz WMPLSZCXCOYKBC-KYOSRNDESA-N 1 0 391.249 2.046 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000249169118 645547846 /nfs/dbraw/zinc/54/78/46/645547846.db2.gz KUDMFHGQVIQQOL-XHDPSFHLSA-N 1 0 398.276 2.469 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000249211106 645550071 /nfs/dbraw/zinc/55/00/71/645550071.db2.gz SLBDZHCBVFACGB-NHYWBVRUSA-N 1 0 398.276 2.469 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)n1 ZINC000249228783 645550996 /nfs/dbraw/zinc/55/09/96/645550996.db2.gz VGOKUBLVXNKMBE-NWDGAFQWSA-N 1 0 383.290 2.032 20 0 GEADRO C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000249550961 645556053 /nfs/dbraw/zinc/55/60/53/645556053.db2.gz KZYTUKXDAYCFLS-SUHUHFCYSA-N 1 0 388.942 2.158 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000249765237 645560584 /nfs/dbraw/zinc/56/05/84/645560584.db2.gz IFHRVYNGCVEFHW-GVXVVHGQSA-N 1 0 376.881 2.164 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc(Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)n1 ZINC000261605805 645589505 /nfs/dbraw/zinc/58/95/05/645589505.db2.gz ABAYQCNRUXVINA-JTQLQIEISA-N 1 0 377.388 2.147 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(F)c(F)cc1I ZINC000261620227 645590822 /nfs/dbraw/zinc/59/08/22/645590822.db2.gz BXBPFRYXGRLERJ-HTQZYQBOSA-N 1 0 380.176 2.379 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC[C@@H](Cn2cncn2)C1)c1ccc(Br)cc1 ZINC000261757139 645597424 /nfs/dbraw/zinc/59/74/24/645597424.db2.gz NDSYYSIKTKSMHM-CXAGYDPISA-N 1 0 392.301 2.153 20 0 GEADRO CC1CCN(C(=[NH2+])NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000261766160 645597925 /nfs/dbraw/zinc/59/79/25/645597925.db2.gz MBOUSVWZFBOYJV-UHFFFAOYSA-N 1 0 376.885 2.014 20 0 GEADRO COC(=O)c1cc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cn1C ZINC000261764962 645598103 /nfs/dbraw/zinc/59/81/03/645598103.db2.gz NUOMWCSVXGVMHN-INIZCTEOSA-N 1 0 380.242 2.387 20 0 GEADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261785260 645599483 /nfs/dbraw/zinc/59/94/83/645599483.db2.gz PXJOKOVLBGRKGT-NXEZZACHSA-N 1 0 379.707 2.333 20 0 GEADRO Cc1nc(CC(C)C)sc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261809765 645602352 /nfs/dbraw/zinc/60/23/52/645602352.db2.gz JMTOGGRMYIRVEL-LBPRGKRZSA-N 1 0 378.464 2.216 20 0 GEADRO C[C@H]1CCc2sc(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)cc2C1 ZINC000261820161 645603021 /nfs/dbraw/zinc/60/30/21/645603021.db2.gz KEDIQISAWWHXRQ-XHDPSFHLSA-N 1 0 375.460 2.439 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000261829302 645603623 /nfs/dbraw/zinc/60/36/23/645603623.db2.gz OFIJGDPAOTUSEU-MFKMUULPSA-N 1 0 389.315 2.274 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc(CS(=O)(=O)Cc2cccc(Br)c2)n1 ZINC000261826205 645603987 /nfs/dbraw/zinc/60/39/87/645603987.db2.gz QWZHHFODXGEHSW-JTQLQIEISA-N 1 0 388.287 2.098 20 0 GEADRO NC(=O)c1ncc(Br)cc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000547443825 651026838 /nfs/dbraw/zinc/02/68/38/651026838.db2.gz JJOGMWTZFLPHTD-UHFFFAOYSA-N 1 0 397.317 2.390 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1F ZINC000261868187 645607068 /nfs/dbraw/zinc/60/70/68/645607068.db2.gz NWZWKZXCVGAQML-GFCCVEGCSA-N 1 0 398.198 2.154 20 0 GEADRO CCC(=O)N[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261878329 645608945 /nfs/dbraw/zinc/60/89/45/645608945.db2.gz YRJKRJMTCHPSRK-PBHICJAKSA-N 1 0 382.302 2.140 20 0 GEADRO O=C(N1CCc2cccc(Br)c2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000261891646 645609501 /nfs/dbraw/zinc/60/95/01/645609501.db2.gz GNSZYQWTEJRHFU-UHFFFAOYSA-N 1 0 389.297 2.309 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000261903400 645610092 /nfs/dbraw/zinc/61/00/92/645610092.db2.gz HZMUSBJOOFPITR-UHFFFAOYSA-N 1 0 391.313 2.425 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C4([NH3+])CCC4)no3)C2)s1 ZINC000261928540 645612438 /nfs/dbraw/zinc/61/24/38/645612438.db2.gz LGURHQOOMWDFAF-LBPRGKRZSA-N 1 0 382.511 2.346 20 0 GEADRO Cc1cccc(CSCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000262003260 645615399 /nfs/dbraw/zinc/61/53/99/645615399.db2.gz NPCYVIFBCUDCMF-OAHLLOKOSA-N 1 0 375.460 2.181 20 0 GEADRO Cc1cc(Cc2cnc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)s2)ccc1Br ZINC000262254311 645622599 /nfs/dbraw/zinc/62/25/99/645622599.db2.gz DLMKVVYSDKXJIY-BXUZGUMPSA-N 1 0 396.310 2.466 20 0 GEADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000262502365 645634377 /nfs/dbraw/zinc/63/43/77/645634377.db2.gz DMEWRVFQKLGGKK-ICIURTGMSA-N 1 0 392.297 2.201 20 0 GEADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NCC[C@@H](C)[NH3+] ZINC000262530813 645635709 /nfs/dbraw/zinc/63/57/09/645635709.db2.gz HWTMXTGZQZQSGG-IUODEOHRSA-N 1 0 399.333 2.271 20 0 GEADRO C[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000262544035 645636551 /nfs/dbraw/zinc/63/65/51/645636551.db2.gz NUBHKHMSAQDNSS-NSHDSACASA-N 1 0 393.336 2.380 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)CC[N@@H+]1C ZINC000547534040 651030240 /nfs/dbraw/zinc/03/02/40/651030240.db2.gz RGEUSWKCIOSUKX-OSAQELSMSA-N 1 0 385.917 2.293 20 0 GEADRO COC(=O)c1cc(OC)c(S(=O)(=O)NCC[NH2+]C2CCCCCC2)s1 ZINC000262742633 645643663 /nfs/dbraw/zinc/64/36/63/645643663.db2.gz KBJJQJJEFFPPOQ-UHFFFAOYSA-N 1 0 390.527 2.134 20 0 GEADRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000263244911 645658962 /nfs/dbraw/zinc/65/89/62/645658962.db2.gz PEAWAXWOMHLACD-RHSMWYFYSA-N 1 0 381.318 2.400 20 0 GEADRO O=C([C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Br)cc1)N1CCOCC1 ZINC000264156509 645669535 /nfs/dbraw/zinc/66/95/35/645669535.db2.gz UXLJBXNSRIKGFA-IRXDYDNUSA-N 1 0 397.313 2.196 20 0 GEADRO COC(=O)CSCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000264257602 645674407 /nfs/dbraw/zinc/67/44/07/645674407.db2.gz IIQAQUJDZKPJBV-UHFFFAOYSA-N 1 0 385.555 2.166 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000264551708 645691373 /nfs/dbraw/zinc/69/13/73/645691373.db2.gz RVCDPLUMQKMYEQ-OAHLLOKOSA-N 1 0 381.318 2.086 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264556243 645691786 /nfs/dbraw/zinc/69/17/86/645691786.db2.gz DPDXLGLFRKYCCV-CQSZACIVSA-N 1 0 391.317 2.485 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 ZINC000264602348 645695545 /nfs/dbraw/zinc/69/55/45/645695545.db2.gz XVZAKKAWOXXPID-AAEUAGOBSA-N 1 0 389.265 2.192 20 0 GEADRO CNS(=O)(=O)C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000264614605 645696070 /nfs/dbraw/zinc/69/60/70/645696070.db2.gz JGNUZJPFSKNNJA-UHFFFAOYSA-N 1 0 394.324 2.336 20 0 GEADRO O=C(CCN1C(=S)N=NC1c1cccs1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264659155 645699111 /nfs/dbraw/zinc/69/91/11/645699111.db2.gz KSTWPWYBAMNISQ-GFCCVEGCSA-N 1 0 377.539 2.286 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000264800132 645719284 /nfs/dbraw/zinc/71/92/84/645719284.db2.gz ZYSLIETXRFHSKK-ZDUSSCGKSA-N 1 0 381.933 2.037 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000264855800 645723431 /nfs/dbraw/zinc/72/34/31/645723431.db2.gz JONDYVOPUYUCDV-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1Br ZINC000264858345 645724165 /nfs/dbraw/zinc/72/41/65/645724165.db2.gz KCOYHMDPEFHMSS-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000265111370 645743547 /nfs/dbraw/zinc/74/35/47/645743547.db2.gz WWSIRFHKQVHANG-HNNXBMFYSA-N 1 0 389.587 2.425 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)[NH+](C)C ZINC000265114306 645744335 /nfs/dbraw/zinc/74/43/35/645744335.db2.gz SVMBVDJIDZGUSV-VIFPVBQESA-N 1 0 381.782 2.286 20 0 GEADRO O[C@H](COCc1cccs1)C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000265256429 645751999 /nfs/dbraw/zinc/75/19/99/645751999.db2.gz PYMCBAAAEMTLSW-INIZCTEOSA-N 1 0 381.929 2.492 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(Br)c2COC)C1 ZINC000265518335 645766907 /nfs/dbraw/zinc/76/69/07/645766907.db2.gz SJWLYZBTUMMBPU-GFCCVEGCSA-N 1 0 386.290 2.438 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(Br)s2)C1 ZINC000265524567 645768093 /nfs/dbraw/zinc/76/80/93/645768093.db2.gz IJARUAHPVSACTL-NSHDSACASA-N 1 0 376.320 2.373 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cc(Br)cc2c1OCC2)[NH+]1CCCC1 ZINC000547714634 651042807 /nfs/dbraw/zinc/04/28/07/651042807.db2.gz AFOCCCCQPYDBNV-LLVKDONJSA-N 1 0 389.315 2.147 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC000265907789 645812194 /nfs/dbraw/zinc/81/21/94/645812194.db2.gz JTGKGSQVSUGCPZ-BXUZGUMPSA-N 1 0 376.284 2.047 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1OC ZINC000265972181 645815788 /nfs/dbraw/zinc/81/57/88/645815788.db2.gz BSVJILSPABUDQC-SNVBAGLBSA-N 1 0 395.319 2.085 20 0 GEADRO CO[C@@]1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCOC1 ZINC000547831453 651047505 /nfs/dbraw/zinc/04/75/05/651047505.db2.gz ZMWNIGRQVBUIMM-DZGCQCFKSA-N 1 0 390.299 2.063 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000266289789 645835942 /nfs/dbraw/zinc/83/59/42/645835942.db2.gz YUHACORTCSKOMO-MRXNPFEDSA-N 1 0 382.551 2.470 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000266501707 645846052 /nfs/dbraw/zinc/84/60/52/645846052.db2.gz DGPVFLZFWCHMBH-KBPBESRZSA-N 1 0 384.249 2.270 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)[NH+](C)C ZINC000266561316 645849977 /nfs/dbraw/zinc/84/99/77/645849977.db2.gz PJWNWWKRVNYAGF-QMMMGPOBSA-N 1 0 396.207 2.473 20 0 GEADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@H]1CSC(=O)N1 ZINC000266887055 645864292 /nfs/dbraw/zinc/86/42/92/645864292.db2.gz LDXLEOMEVBCTIF-OAHLLOKOSA-N 1 0 383.901 2.124 20 0 GEADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC)c(Cl)c2)CC1 ZINC000267067293 645878362 /nfs/dbraw/zinc/87/83/62/645878362.db2.gz QDJHRSQJHKPKPA-UHFFFAOYSA-N 1 0 385.917 2.227 20 0 GEADRO CC(C)Oc1cc(Br)ccc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000267082136 645879758 /nfs/dbraw/zinc/87/97/58/645879758.db2.gz JHEROCRMBOQWET-UHFFFAOYSA-N 1 0 385.302 2.423 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000267112886 645883538 /nfs/dbraw/zinc/88/35/38/645883538.db2.gz NRZDKFRFJBUFGZ-FUHWJXTLSA-N 1 0 383.945 2.461 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NCC2(O)CC[NH+](C)CC2)c(Br)c1 ZINC000267186197 645887058 /nfs/dbraw/zinc/88/70/58/645887058.db2.gz WJWFPCTVIVFNJO-CYBMUJFWSA-N 1 0 385.302 2.098 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000267297599 645896340 /nfs/dbraw/zinc/89/63/40/645896340.db2.gz TZBRDZPSBSKWCH-HIFRSBDPSA-N 1 0 382.917 2.262 20 0 GEADRO O=C(NCCc1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267305528 645897233 /nfs/dbraw/zinc/89/72/33/645897233.db2.gz GVFUFWXECPBVNB-HNNXBMFYSA-N 1 0 396.329 2.355 20 0 GEADRO C[N@H+](CCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)C1CC1 ZINC000267569512 645908927 /nfs/dbraw/zinc/90/89/27/645908927.db2.gz IPQQZGVZWFLFAE-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C(F)(F)F)n1 ZINC000267917115 645935051 /nfs/dbraw/zinc/93/50/51/645935051.db2.gz CJHPVJFELZNLLG-ZIBATOQPSA-N 1 0 377.432 2.333 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccccc2SCCC(N)=O)CCSC1 ZINC000267923829 645935577 /nfs/dbraw/zinc/93/55/77/645935577.db2.gz DHBRIAQWSULEBE-KRWDZBQOSA-N 1 0 382.555 2.213 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000268145021 645947917 /nfs/dbraw/zinc/94/79/17/645947917.db2.gz JUMHVNJWKDTFLL-GOEBONIOSA-N 1 0 382.346 2.380 20 0 GEADRO O=C(Nc1cc(F)ccc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268156668 645949463 /nfs/dbraw/zinc/94/94/63/645949463.db2.gz NQSZPNQVDBIKKD-TZMCWYRMSA-N 1 0 384.249 2.270 20 0 GEADRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000268348148 645960217 /nfs/dbraw/zinc/96/02/17/645960217.db2.gz UFTRLOAESWAWQW-LBPRGKRZSA-N 1 0 398.326 2.498 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000268531579 645974458 /nfs/dbraw/zinc/97/44/58/645974458.db2.gz DIQLQKNNZFVXBM-UHFFFAOYSA-N 1 0 388.295 2.283 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000268715336 645991958 /nfs/dbraw/zinc/99/19/58/645991958.db2.gz BRWXJJQDJQYQAM-LBPRGKRZSA-N 1 0 382.302 2.360 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1I ZINC000268760346 645996538 /nfs/dbraw/zinc/99/65/38/645996538.db2.gz NEDBMGUUZMWXNX-WDEREUQCSA-N 1 0 379.263 2.377 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CCN2CCSCC2)ccc1S(=O)(=O)C(F)F ZINC000268877497 646002234 /nfs/dbraw/zinc/00/22/34/646002234.db2.gz KPIAIVBZYMJYJH-GFCCVEGCSA-N 1 0 394.509 2.391 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000268923540 646006363 /nfs/dbraw/zinc/00/63/63/646006363.db2.gz KQHUGRBZWRLRMR-YJBOKZPZSA-N 1 0 383.583 2.314 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000268927525 646007069 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646084817 /nfs/dbraw/zinc/08/48/17/646084817.db2.gz QXNVOLIBXRNMAZ-CYBMUJFWSA-N 1 0 380.286 2.310 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270209944 646092092 /nfs/dbraw/zinc/09/20/92/646092092.db2.gz RUKIJRJYWVTAER-LBPRGKRZSA-N 1 0 379.306 2.294 20 0 GEADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ncc(Br)s1 ZINC000270210942 646092697 /nfs/dbraw/zinc/09/26/97/646092697.db2.gz LMRBRGWIPZUPQH-VXGBXAGGSA-N 1 0 389.363 2.499 20 0 GEADRO C[N@H+](CCNC(=O)c1ccnc(Cl)c1I)C1CC1 ZINC000270665788 646126712 /nfs/dbraw/zinc/12/67/12/646126712.db2.gz OAENLOVSWQRQGD-UHFFFAOYSA-N 1 0 379.629 2.164 20 0 GEADRO CS[C@@H]1CN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000270741921 646133098 /nfs/dbraw/zinc/13/30/98/646133098.db2.gz AIGNGISZAKBZRS-JTNHKYCSSA-N 1 0 397.488 2.096 20 0 GEADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000270953207 646157409 /nfs/dbraw/zinc/15/74/09/646157409.db2.gz MJSZXQRMBNAKAI-SWLSCSKDSA-N 1 0 382.302 2.009 20 0 GEADRO CC(C)[N@H+](Cc1ccc(Br)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000271052775 646168345 /nfs/dbraw/zinc/16/83/45/646168345.db2.gz BGLIELWWDRMSSH-UHFFFAOYSA-N 1 0 380.286 2.257 20 0 GEADRO C[N@@H+]1CCN(CC(=O)Nc2cccc(I)c2)C(C)(C)C1 ZINC000271080406 646171361 /nfs/dbraw/zinc/17/13/61/646171361.db2.gz YEMPUSRIXBCKDS-UHFFFAOYSA-N 1 0 387.265 2.256 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cccc(F)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000271085684 646172087 /nfs/dbraw/zinc/17/20/87/646172087.db2.gz SNJBFGGNPGPHQG-ZDUSSCGKSA-N 1 0 390.908 2.450 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000271318209 646191116 /nfs/dbraw/zinc/19/11/16/646191116.db2.gz XXKBARLFONKNQE-UHFFFAOYSA-N 1 0 387.933 2.052 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000271407874 646202676 /nfs/dbraw/zinc/20/26/76/646202676.db2.gz NIYWYLBDQGADEE-LBPRGKRZSA-N 1 0 380.290 2.200 20 0 GEADRO NC(=O)NC(=O)OCCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271413877 646203465 /nfs/dbraw/zinc/20/34/65/646203465.db2.gz WRFAYMCKTCCPJB-UHFFFAOYSA-N 1 0 378.256 2.373 20 0 GEADRO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000271440611 646206430 /nfs/dbraw/zinc/20/64/30/646206430.db2.gz CHAFPIFVTXWSMJ-CHWSQXEVSA-N 1 0 385.507 2.251 20 0 GEADRO O=S(=O)(C[C@@H](O)C[NH2+]C1CCN(c2ccccc2)CC1)c1cccs1 ZINC000271457490 646209307 /nfs/dbraw/zinc/20/93/07/646209307.db2.gz FQUHCCADCUSTIY-KRWDZBQOSA-N 1 0 380.535 2.141 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000271582321 646214446 /nfs/dbraw/zinc/21/44/46/646214446.db2.gz XBUZTGPICVLXOF-ABAIWWIYSA-N 1 0 381.274 2.223 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000271748464 646228392 /nfs/dbraw/zinc/22/83/92/646228392.db2.gz XAGIRWWUOKUAFK-IJEWVQPXSA-N 1 0 389.901 2.090 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccccc2CSc2nc[nH]n2)C[C@H]1[NH+](C)C ZINC000271759211 646228916 /nfs/dbraw/zinc/22/89/16/646228916.db2.gz GNENJJAFGSTXBD-CABCVRRESA-N 1 0 377.539 2.215 20 0 GEADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)N1CCc2sccc2C1 ZINC000271868815 646236021 /nfs/dbraw/zinc/23/60/21/646236021.db2.gz PMFGEJDCLCQYLG-KBPBESRZSA-N 1 0 379.551 2.493 20 0 GEADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000271938573 646243036 /nfs/dbraw/zinc/24/30/36/646243036.db2.gz OBNISCQHOSEFEA-GOEBONIOSA-N 1 0 396.329 2.112 20 0 GEADRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000271980351 646244773 /nfs/dbraw/zinc/24/47/73/646244773.db2.gz OKRSDPGIBAGUMY-UHFFFAOYSA-N 1 0 385.306 2.405 20 0 GEADRO CS[C@@H]1CN(CC(=O)N(Cc2ccco2)CC(F)(F)F)C[C@H]1[NH+](C)C ZINC000272000273 646247521 /nfs/dbraw/zinc/24/75/21/646247521.db2.gz IDFWFOSXZCDCLW-ZIAGYGMSSA-N 1 0 379.448 2.148 20 0 GEADRO CN(CCN(C)S(=O)(=O)c1c(Cl)ccnc1Cl)C1CC[NH+](C)CC1 ZINC000272075771 646252739 /nfs/dbraw/zinc/25/27/39/646252739.db2.gz DOOPUBNZLKPNLE-UHFFFAOYSA-N 1 0 395.356 2.035 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)[C@@H]2C1 ZINC000272292031 646264571 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GEADRO CS[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000274085609 646316060 /nfs/dbraw/zinc/31/60/60/646316060.db2.gz RFJSIXRKKSLWSN-UONOGXRCSA-N 1 0 399.358 2.294 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000274855407 646332737 /nfs/dbraw/zinc/33/27/37/646332737.db2.gz XVIZIMSAPNLKNW-ZDUSSCGKSA-N 1 0 377.794 2.428 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000275490321 646356887 /nfs/dbraw/zinc/35/68/87/646356887.db2.gz ALNKWUFMRHGGHV-FRRDWIJNSA-N 1 0 380.286 2.188 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)C1=CC[N@H+](C)CC1 ZINC000276094415 646367306 /nfs/dbraw/zinc/36/73/06/646367306.db2.gz NBAVUABLPWZKQY-SNVBAGLBSA-N 1 0 384.249 2.293 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1F)C1=CC[N@H+](C)CC1 ZINC000276151257 646368658 /nfs/dbraw/zinc/36/86/58/646368658.db2.gz RERPAPJUGYXEBU-SNVBAGLBSA-N 1 0 384.249 2.293 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000277130815 646381664 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O=C(NCC[NH2+]Cc1cnn(CC(F)F)c1)c1cccc(Br)c1 ZINC000293042265 647212812 /nfs/dbraw/zinc/21/28/12/647212812.db2.gz RGIXUVIHINJXCQ-UHFFFAOYSA-N 1 0 387.228 2.430 20 0 GEADRO O[C@@H](COCC(F)(F)F)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000293053927 647213405 /nfs/dbraw/zinc/21/34/05/647213405.db2.gz YJJNDNIWAKTUAX-GFCCVEGCSA-N 1 0 375.416 2.358 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000293611130 647215162 /nfs/dbraw/zinc/21/51/62/647215162.db2.gz YIBFVDYANRIQBO-OAHLLOKOSA-N 1 0 384.885 2.152 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3nc4ccccn4c3Br)[C@H]2C1 ZINC000293708897 647218411 /nfs/dbraw/zinc/21/84/11/647218411.db2.gz SFSAVFNVMHMYPM-LSDHHAIUSA-N 1 0 379.302 2.392 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000294877554 647225126 /nfs/dbraw/zinc/22/51/26/647225126.db2.gz HZBBUWJSNRNKEY-NHYWBVRUSA-N 1 0 390.285 2.242 20 0 GEADRO Cc1cc(OCCC[C@@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)ccc1Cl ZINC000294887885 647226377 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GEADRO C[C@@H](NC(=O)Cn1cc(CCCC[NH3+])nn1)c1ccc(Br)cc1 ZINC000323711785 647298668 /nfs/dbraw/zinc/29/86/68/647298668.db2.gz MJNJCGOHGJXMDA-GFCCVEGCSA-N 1 0 380.290 2.199 20 0 GEADRO Cn1cc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(C(F)(F)F)n1 ZINC000328779889 647313566 /nfs/dbraw/zinc/31/35/66/647313566.db2.gz UFSDDRDQPLSYOH-LBPRGKRZSA-N 1 0 380.436 2.078 20 0 GEADRO CCc1ncc(S(=O)(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000329663913 647322855 /nfs/dbraw/zinc/32/28/55/647322855.db2.gz PIYRLOUZVUKAIV-KBPBESRZSA-N 1 0 387.571 2.215 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000330526590 647341446 /nfs/dbraw/zinc/34/14/46/647341446.db2.gz QPNVPBNZMRECDR-UHFFFAOYSA-N 1 0 382.707 2.132 20 0 GEADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cc(Br)ccc1=O ZINC000330569546 647345319 /nfs/dbraw/zinc/34/53/19/647345319.db2.gz NXTLAXXZAJSXKY-MJBXVCDLSA-N 1 0 384.318 2.093 20 0 GEADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2sc(S(N)(=O)=O)cc2C)C1 ZINC000330699064 647346834 /nfs/dbraw/zinc/34/68/34/647346834.db2.gz MLJIHOOSBHGSKL-ZDUSSCGKSA-N 1 0 387.571 2.334 20 0 GEADRO CC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000331299495 647377912 /nfs/dbraw/zinc/37/79/12/647377912.db2.gz DKPZGCNWQVFIJA-KRWDZBQOSA-N 1 0 383.286 2.440 20 0 GEADRO CC1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)CC1 ZINC000331366155 647382443 /nfs/dbraw/zinc/38/24/43/647382443.db2.gz CXRXARRVHJFDOG-QGZVFWFLSA-N 1 0 394.313 2.181 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000331564793 647389604 /nfs/dbraw/zinc/38/96/04/647389604.db2.gz NNSHPLGFBVGUFL-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO CS[C@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C[C@@H]1[NH+](C)C ZINC000331590513 647391998 /nfs/dbraw/zinc/39/19/98/647391998.db2.gz BCDCTMBVVFQLBP-ZFWWWQNUSA-N 1 0 383.901 2.142 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000331721634 647396231 /nfs/dbraw/zinc/39/62/31/647396231.db2.gz SYZYAWPKBRQEQA-SSKCKEOISA-N 1 0 387.307 2.378 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CCSC1 ZINC000331732481 647397940 /nfs/dbraw/zinc/39/79/40/647397940.db2.gz RHHSVCALSZIESK-SCLBCKFNSA-N 1 0 381.929 2.246 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CCSC1 ZINC000331736001 647398359 /nfs/dbraw/zinc/39/83/59/647398359.db2.gz UYCURLHULZUCEZ-ACJLOTCBSA-N 1 0 381.929 2.246 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332061019 647408872 /nfs/dbraw/zinc/40/88/72/647408872.db2.gz YAGQGSHDAYHAKF-BBRMVZONSA-N 1 0 394.313 2.264 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)C[C@@H]1[NH+](C)C ZINC000332102125 647410673 /nfs/dbraw/zinc/41/06/73/647410673.db2.gz GUDIRXGTAMTQPS-UONOGXRCSA-N 1 0 383.880 2.177 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000332116655 647412780 /nfs/dbraw/zinc/41/27/80/647412780.db2.gz GLOIVXBPEKGEDZ-LBPRGKRZSA-N 1 0 378.270 2.457 20 0 GEADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)C[C@H](C)O1 ZINC000332198590 647421485 /nfs/dbraw/zinc/42/14/85/647421485.db2.gz ZUMPBQIRSIYIOA-ZOWXZIJZSA-N 1 0 383.286 2.498 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000332213420 647423734 /nfs/dbraw/zinc/42/37/34/647423734.db2.gz VOGDXKWFCNYVED-MGPQQGTHSA-N 1 0 394.313 2.401 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332285188 647428645 /nfs/dbraw/zinc/42/86/45/647428645.db2.gz IOMWKFRVDPOPMS-VHSXEESVSA-N 1 0 386.677 2.109 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1Br ZINC000332318968 647432470 /nfs/dbraw/zinc/43/24/70/647432470.db2.gz JGISPTALBLCFTF-AVGNSLFASA-N 1 0 380.286 2.282 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000332445193 647438280 /nfs/dbraw/zinc/43/82/80/647438280.db2.gz CYQYQDGBOYEEQL-LSDHHAIUSA-N 1 0 394.313 2.028 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(Br)cn3)CC2)CC[N@@H+]1C ZINC000332533921 647442396 /nfs/dbraw/zinc/44/23/96/647442396.db2.gz IATJCFIZLFZYTH-DZGCQCFKSA-N 1 0 396.333 2.158 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000332541522 647443674 /nfs/dbraw/zinc/44/36/74/647443674.db2.gz DEUIPKLTSMRUDZ-ZANVPECISA-N 1 0 386.677 2.251 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332546501 647444167 /nfs/dbraw/zinc/44/41/67/647444167.db2.gz GRWBFOOMZHMSLW-MFKMUULPSA-N 1 0 384.249 2.046 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000332548269 647444463 /nfs/dbraw/zinc/44/44/63/647444463.db2.gz HUIIKNMAUFBTGR-CABZTGNLSA-N 1 0 386.677 2.251 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)[N@@H+]1CCCC[C@H]1C ZINC000332548886 647444709 /nfs/dbraw/zinc/44/47/09/647444709.db2.gz IOBQCMBZMDWUQF-ZJUUUORDSA-N 1 0 378.420 2.480 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332572931 647447638 /nfs/dbraw/zinc/44/76/38/647447638.db2.gz XEPJKFBZBASJMJ-TVQRCGJNSA-N 1 0 386.677 2.251 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C)c1Br ZINC000332579564 647448566 /nfs/dbraw/zinc/44/85/66/647448566.db2.gz ZWPHGYUSVLSBSM-CHWSQXEVSA-N 1 0 380.286 2.072 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000332635451 647450255 /nfs/dbraw/zinc/45/02/55/647450255.db2.gz SMCBBKQORFWHSN-RYUDHWBXSA-N 1 0 383.290 2.162 20 0 GEADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000333019132 647459024 /nfs/dbraw/zinc/45/90/24/647459024.db2.gz CZWWBECDYFVFHE-CVEARBPZSA-N 1 0 383.539 2.023 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccncc2Br)CC1 ZINC000333111310 647462789 /nfs/dbraw/zinc/46/27/89/647462789.db2.gz FBFOMKWRVZIGGZ-HIFRSBDPSA-N 1 0 383.290 2.016 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000333112602 647462835 /nfs/dbraw/zinc/46/28/35/647462835.db2.gz GSUMJMPOUOFHBR-LLVKDONJSA-N 1 0 377.436 2.885 20 0 GEADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333609906 647476125 /nfs/dbraw/zinc/47/61/25/647476125.db2.gz QKOONPIWTZCVIN-CABCVRRESA-N 1 0 381.318 2.469 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000333626172 647476745 /nfs/dbraw/zinc/47/67/45/647476745.db2.gz GXXNJBRMZHVCAJ-OAHLLOKOSA-N 1 0 390.285 2.947 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)C1 ZINC000333680110 647478743 /nfs/dbraw/zinc/47/87/43/647478743.db2.gz OQNYMRIEQMDWKC-HIFRSBDPSA-N 1 0 376.881 2.386 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000333762244 647481167 /nfs/dbraw/zinc/48/11/67/647481167.db2.gz ZZDQZPKCTJZFED-VXGBXAGGSA-N 1 0 378.274 2.194 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000333833639 647484318 /nfs/dbraw/zinc/48/43/18/647484318.db2.gz JUGVTMRIMNMSFL-CXAGYDPISA-N 1 0 385.917 2.451 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nc2ccc(Br)cn2n1 ZINC000333949884 647486164 /nfs/dbraw/zinc/48/61/64/647486164.db2.gz XQDVITREERYDGK-CYBMUJFWSA-N 1 0 380.290 2.342 20 0 GEADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Br)cnc2N(C)C)C[C@H](C)O1 ZINC000334026698 647488248 /nfs/dbraw/zinc/48/82/48/647488248.db2.gz VDMPIYWQSDWJFP-STQMWFEESA-N 1 0 399.333 2.139 20 0 GEADRO O=C1N[C@@]2(CCSC2)C(=O)N1C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000348698229 647497947 /nfs/dbraw/zinc/49/79/47/647497947.db2.gz OZLAXFWIAXHVJT-KOHJWAIASA-N 1 0 377.432 2.219 20 0 GEADRO COCC[N@H+](C)CCN1C(=O)CN([C@H](C)c2cccc(Br)c2)C1=O ZINC000349316847 647503187 /nfs/dbraw/zinc/50/31/87/647503187.db2.gz UXSXUXDNQRSGBF-CYBMUJFWSA-N 1 0 398.301 2.353 20 0 GEADRO COCCC[N@H+](C)CCN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000349402230 647503748 /nfs/dbraw/zinc/50/37/48/647503748.db2.gz SBKCBJQPIZYDDT-AWEZNQCLSA-N 1 0 384.274 2.010 20 0 GEADRO Cc1oc(Br)cc1-c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000351294413 647552934 /nfs/dbraw/zinc/55/29/34/647552934.db2.gz OZJNASMWQKTFFA-UHFFFAOYSA-N 1 0 397.273 2.496 20 0 GEADRO O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000360402516 647556924 /nfs/dbraw/zinc/55/69/24/647556924.db2.gz SURVKBCMUXATAA-ZIAGYGMSSA-N 1 0 376.881 2.089 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000360455208 647557530 /nfs/dbraw/zinc/55/75/30/647557530.db2.gz PTXVGELOVBFXBY-UHOFOFEASA-N 1 0 388.917 2.221 20 0 GEADRO CC(C)C[N@@H+]1CCCN(C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000360619580 647558449 /nfs/dbraw/zinc/55/84/49/647558449.db2.gz GWONSSROTGXUES-UHFFFAOYSA-N 1 0 385.306 2.343 20 0 GEADRO O=C(CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1cccc(Br)c1 ZINC000361166442 647560981 /nfs/dbraw/zinc/56/09/81/647560981.db2.gz BIHFVLIFGUQNMN-DLBZAZTESA-N 1 0 396.329 2.309 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000361957983 647565195 /nfs/dbraw/zinc/56/51/95/647565195.db2.gz VNEOQOKLXXVZHL-AWEZNQCLSA-N 1 0 376.551 2.476 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000362224141 647568679 /nfs/dbraw/zinc/56/86/79/647568679.db2.gz YMKREMJFWDJWAY-AWEZNQCLSA-N 1 0 380.286 2.154 20 0 GEADRO O=C(Nc1ccc(F)cc1Cl)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000362218171 647568864 /nfs/dbraw/zinc/56/88/64/647568864.db2.gz JGMPBKUMXSDXOI-ZDUSSCGKSA-N 1 0 389.880 2.252 20 0 GEADRO O=C(CCc1ccccc1Br)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363027656 647579757 /nfs/dbraw/zinc/57/97/57/647579757.db2.gz FNKOCWJGSXUEBE-DLBZAZTESA-N 1 0 381.314 2.439 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000363034988 647580798 /nfs/dbraw/zinc/58/07/98/647580798.db2.gz DCGNNKUZRUPESK-UHFFFAOYSA-N 1 0 380.491 2.420 20 0 GEADRO Cc1cc(Br)oc1C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000363381382 647593651 /nfs/dbraw/zinc/59/36/51/647593651.db2.gz CSEJGCAWNXZDFY-CQSZACIVSA-N 1 0 384.318 2.450 20 0 GEADRO CCc1nnc2n1C[C@H]([NH2+]Cc1cc(OC)c(O)cc1Br)CC2 ZINC000363410950 647595567 /nfs/dbraw/zinc/59/55/67/647595567.db2.gz IFANLDVNUXTRRO-LLVKDONJSA-N 1 0 381.274 2.422 20 0 GEADRO CCC[NH+]1CCN(C2CCN(C(=O)NC[C@@H]3CSCCS3)CC2)CC1 ZINC000363616437 647602862 /nfs/dbraw/zinc/60/28/62/647602862.db2.gz HPSCRNXUGRETJG-QGZVFWFLSA-N 1 0 386.631 2.037 20 0 GEADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(Cc2cscn2)CC1 ZINC000363886081 647610274 /nfs/dbraw/zinc/61/02/74/647610274.db2.gz RVSIJOAMKMBJNM-KRWDZBQOSA-N 1 0 378.929 2.447 20 0 GEADRO CCc1n[nH]c(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1Br ZINC000363916065 647611991 /nfs/dbraw/zinc/61/19/91/647611991.db2.gz DHDBYMHAQACTKH-UHFFFAOYSA-N 1 0 399.333 2.309 20 0 GEADRO C[C@@H](C(F)(F)F)S(=O)(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000363968973 647614474 /nfs/dbraw/zinc/61/44/74/647614474.db2.gz IPKMRCHPJLCFOX-ZDUSSCGKSA-N 1 0 379.448 2.301 20 0 GEADRO O=S(=O)(c1c(F)cccc1Cl)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000364064379 647617413 /nfs/dbraw/zinc/61/74/13/647617413.db2.gz QKRDYMGKAHTYHE-QWHCGFSZSA-N 1 0 376.881 2.089 20 0 GEADRO CC(=O)Nc1ccc(Br)cc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364149432 647619652 /nfs/dbraw/zinc/61/96/52/647619652.db2.gz KLVFGQKXINWJTK-YOGCLGLASA-N 1 0 394.269 2.161 20 0 GEADRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000364386096 647623406 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Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000416837662 648214689 /nfs/dbraw/zinc/21/46/89/648214689.db2.gz XQIXHYGECGCROD-LBPRGKRZSA-N 1 0 397.317 2.465 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC000417109871 648225572 /nfs/dbraw/zinc/22/55/72/648225572.db2.gz XWDQKNRCAZFUSP-GUYCJALGSA-N 1 0 384.318 2.448 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000417122682 648225834 /nfs/dbraw/zinc/22/58/34/648225834.db2.gz BHTXAMMPEKOSRR-ZDUSSCGKSA-N 1 0 387.311 2.032 20 0 GEADRO O=C(NCCc1ccc(Cl)s1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417113025 648226030 /nfs/dbraw/zinc/22/60/30/648226030.db2.gz JMNYGVPABSMDOC-NSHDSACASA-N 1 0 384.855 2.079 20 0 GEADRO [NH3+]C1CCC(NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000417210819 648232325 /nfs/dbraw/zinc/23/23/25/648232325.db2.gz FGBMQWHGCNGILW-UHFFFAOYSA-N 1 0 383.290 2.347 20 0 GEADRO C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000417224190 648234243 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GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417296976 648238353 /nfs/dbraw/zinc/23/83/53/648238353.db2.gz HYRMODVQNAXAMH-CMPLNLGQSA-N 1 0 384.274 2.099 20 0 GEADRO C[C@@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)[C@H](C[NH3+])C1 ZINC000417301752 648238624 /nfs/dbraw/zinc/23/86/24/648238624.db2.gz PYJBRIMQGOLFKO-YPMHNXCESA-N 1 0 398.301 2.489 20 0 GEADRO COc1cc(CNC(=O)N2CCCC[C@H]2C[NH3+])cc(Br)c1OC ZINC000417362453 648239983 /nfs/dbraw/zinc/23/99/83/648239983.db2.gz BHDHJWWBLUUSKV-LBPRGKRZSA-N 1 0 386.290 2.489 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417372499 648241466 /nfs/dbraw/zinc/24/14/66/648241466.db2.gz YVSCGVAEQTXCIF-IUODEOHRSA-N 1 0 397.317 2.383 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc(Br)c1OC ZINC000417374036 648241983 /nfs/dbraw/zinc/24/19/83/648241983.db2.gz KAHMMCWKIBJDLP-MFKMUULPSA-N 1 0 386.290 2.264 20 0 GEADRO COc1cc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc(Br)c1OC ZINC000417374035 648242042 /nfs/dbraw/zinc/24/20/42/648242042.db2.gz KAHMMCWKIBJDLP-GXFFZTMASA-N 1 0 386.290 2.264 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc(Br)c1OC ZINC000417383665 648243057 /nfs/dbraw/zinc/24/30/57/648243057.db2.gz ZKSQSSHHORTMGO-PWSUYJOCSA-N 1 0 386.290 2.393 20 0 GEADRO COCC[NH2+]CCNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417412349 648243532 /nfs/dbraw/zinc/24/35/32/648243532.db2.gz UQOVQHDCUWBJEF-UHFFFAOYSA-N 1 0 396.232 2.086 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000417430223 648244526 /nfs/dbraw/zinc/24/45/26/648244526.db2.gz OYJBLMPIKROASG-AWEZNQCLSA-N 1 0 396.329 2.488 20 0 GEADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)N1CC[NH2+]CC1 ZINC000417435641 648245429 /nfs/dbraw/zinc/24/54/29/648245429.db2.gz YWQPARWQZJOILC-UHFFFAOYSA-N 1 0 382.302 2.112 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417438235 648245920 /nfs/dbraw/zinc/24/59/20/648245920.db2.gz SLVSHGZQOYREFR-HUUCEWRRSA-N 1 0 397.317 2.138 20 0 GEADRO O=C(NCCCNC(=O)c1cccc(Br)c1)NCC[C@H]1CCC[NH2+]1 ZINC000417440938 648246230 /nfs/dbraw/zinc/24/62/30/648246230.db2.gz ZLRBKNMDBKLNOT-OAHLLOKOSA-N 1 0 397.317 2.010 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000417448969 648246840 /nfs/dbraw/zinc/24/68/40/648246840.db2.gz XAEBJLUAPFDWAB-MRXNPFEDSA-N 1 0 386.290 2.347 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417464301 648247368 /nfs/dbraw/zinc/24/73/68/648247368.db2.gz QENUEYHGWYCHHT-OAHLLOKOSA-N 1 0 397.317 2.092 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000417477090 648247727 /nfs/dbraw/zinc/24/77/27/648247727.db2.gz CIGPTXJNXQNQFC-OLZOCXBDSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000417478684 648248077 /nfs/dbraw/zinc/24/80/77/648248077.db2.gz DQUAWJPAZIFOPR-STQMWFEESA-N 1 0 397.317 2.465 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417481143 648248724 /nfs/dbraw/zinc/24/87/24/648248724.db2.gz HDXXSMADPLRDLW-CYBMUJFWSA-N 1 0 383.290 2.137 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C[NH2+]1 ZINC000417482713 648249105 /nfs/dbraw/zinc/24/91/05/648249105.db2.gz QAKBNNANGODLOB-UMVBOHGHSA-N 1 0 381.318 2.420 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417484039 648249433 /nfs/dbraw/zinc/24/94/33/648249433.db2.gz UELRCQUZKFRTRK-HNNXBMFYSA-N 1 0 381.318 2.469 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC1([NH3+])CCC1 ZINC000417486598 648249923 /nfs/dbraw/zinc/24/99/23/648249923.db2.gz MSXNSWUJTRPJNV-UHFFFAOYSA-N 1 0 383.290 2.267 20 0 GEADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N(CC[NH3+])CCO ZINC000417517209 648251055 /nfs/dbraw/zinc/25/10/55/648251055.db2.gz IQCXXGXTUSAFFD-YGRLFVJLSA-N 1 0 388.331 2.195 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417591968 648254634 /nfs/dbraw/zinc/25/46/34/648254634.db2.gz DPRQEMMLSFMHGC-IPYPFGDCSA-N 1 0 381.318 2.325 20 0 GEADRO CN(CC[NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000417597704 648254966 /nfs/dbraw/zinc/25/49/66/648254966.db2.gz VDMFATWDPLMTEG-UHFFFAOYSA-N 1 0 376.320 2.161 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417599084 648254975 /nfs/dbraw/zinc/25/49/75/648254975.db2.gz HFZAUVDOEYOSMF-UONOGXRCSA-N 1 0 381.318 2.421 20 0 GEADRO CC1(C)CN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[NH2+]1 ZINC000417603361 648255522 /nfs/dbraw/zinc/25/55/22/648255522.db2.gz RCLHUVPAINVWHS-CYBMUJFWSA-N 1 0 381.318 2.421 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417604938 648256079 /nfs/dbraw/zinc/25/60/79/648256079.db2.gz WJRPFFVJJBHFGJ-HZSPNIEDSA-N 1 0 381.318 2.407 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417604893 648256086 /nfs/dbraw/zinc/25/60/86/648256086.db2.gz WDDSCVICPXNJAB-IOASZLSFSA-N 1 0 379.302 2.031 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417731339 648259581 /nfs/dbraw/zinc/25/95/81/648259581.db2.gz ORLQLLWXMVKFKY-INIZCTEOSA-N 1 0 393.289 2.115 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417730298 648259675 /nfs/dbraw/zinc/25/96/75/648259675.db2.gz NXMWYVGLSBXYBH-CYBMUJFWSA-N 1 0 393.289 2.176 20 0 GEADRO Nc1cc(Br)ccc1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417847544 648263163 /nfs/dbraw/zinc/26/31/63/648263163.db2.gz UWVOHXYAFNNVJH-GOEBONIOSA-N 1 0 382.302 2.390 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417864534 648263581 /nfs/dbraw/zinc/26/35/81/648263581.db2.gz BMPVQUKUJCGFJM-ONGXEEELSA-N 1 0 379.814 2.369 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417871453 648263618 /nfs/dbraw/zinc/26/36/18/648263618.db2.gz JRFLUHTUEOXYHP-GXSJLCMTSA-N 1 0 379.814 2.369 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000417880470 648263941 /nfs/dbraw/zinc/26/39/41/648263941.db2.gz CIDQXKPHKKSPLN-KRWDZBQOSA-N 1 0 395.345 2.417 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417899419 648265556 /nfs/dbraw/zinc/26/55/56/648265556.db2.gz KMULWUXKWNAPIQ-WCQYABFASA-N 1 0 388.281 2.278 20 0 GEADRO C[C@@H](Cc1ccccc1Br)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417899396 648265652 /nfs/dbraw/zinc/26/56/52/648265652.db2.gz SYERYIUSTDLNNG-GOEBONIOSA-N 1 0 395.345 2.069 20 0 GEADRO C[C@H]1CN(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000417897291 648265713 /nfs/dbraw/zinc/26/57/13/648265713.db2.gz XOKVXMDHMDUTHC-AWEZNQCLSA-N 1 0 395.345 2.417 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)CCCO1 ZINC000418000686 648268733 /nfs/dbraw/zinc/26/87/33/648268733.db2.gz JTSLBDYWDAPEMG-CQSZACIVSA-N 1 0 395.301 2.232 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)NC[C@H](C)C[NH3+])C2=O)ccc1Br ZINC000418006838 648268999 /nfs/dbraw/zinc/26/89/99/648268999.db2.gz FIWKYGYLPMDFJE-IAQYHMDHSA-N 1 0 397.317 2.147 20 0 GEADRO Cc1cc(N2CCC[C@@H](NC(=O)NC[C@@H](C)C[NH3+])C2=O)ccc1Br ZINC000418006840 648269187 /nfs/dbraw/zinc/26/91/87/648269187.db2.gz FIWKYGYLPMDFJE-XHDPSFHLSA-N 1 0 397.317 2.147 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)NC[C@H]([NH3+])C(C)C)C2=O)ccc1Br ZINC000418017825 648270325 /nfs/dbraw/zinc/27/03/25/648270325.db2.gz UEHDYJKOVBGWPK-LSDHHAIUSA-N 1 0 397.317 2.145 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)nc12 ZINC000418017931 648270369 /nfs/dbraw/zinc/27/03/69/648270369.db2.gz HYHKZFUHYBDOJF-IUODEOHRSA-N 1 0 394.317 2.245 20 0 GEADRO [NH3+]CC[C@H](NC(=O)NCc1cc(Br)cc2c1OCC2)C(F)F ZINC000418017136 648270441 /nfs/dbraw/zinc/27/04/41/648270441.db2.gz SCPUIYGAKCQEPG-NSHDSACASA-N 1 0 378.217 2.166 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)nc12 ZINC000418016699 648270519 /nfs/dbraw/zinc/27/05/19/648270519.db2.gz GDODNPAGKVSRMX-JSGCOSHPSA-N 1 0 394.317 2.387 20 0 GEADRO CC[NH2+]CCNC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000418018447 648270938 /nfs/dbraw/zinc/27/09/38/648270938.db2.gz UTXYPYMZUYGLEZ-OAHLLOKOSA-N 1 0 397.317 2.162 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]([NH3+])C(C)C)nc12 ZINC000418020275 648271350 /nfs/dbraw/zinc/27/13/50/648271350.db2.gz MZQOVVJMRPJIFR-AWEZNQCLSA-N 1 0 382.306 2.230 20 0 GEADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418025093 648271778 /nfs/dbraw/zinc/27/17/78/648271778.db2.gz FLBPYOZEZMYFTA-MWDXBVQZSA-N 1 0 396.329 2.304 20 0 GEADRO CCC[NH2+]CCNC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000418026589 648272350 /nfs/dbraw/zinc/27/23/50/648272350.db2.gz WFCITPUXJDKGAP-UHFFFAOYSA-N 1 0 382.306 2.247 20 0 GEADRO O=C(NCc1cc(Br)ccc1Br)NCC1C[NH2+]C1 ZINC000418037384 648272931 /nfs/dbraw/zinc/27/29/31/648272931.db2.gz GSZZQWWCLBORNO-UHFFFAOYSA-N 1 0 377.080 2.230 20 0 GEADRO OC[C@@H](C[NH2+]Cc1ccc(F)cc1I)[C@H]1CCOC1 ZINC000418039491 648273253 /nfs/dbraw/zinc/27/32/53/648273253.db2.gz HXETWJZGZGDJHN-NWDGAFQWSA-N 1 0 379.213 2.165 20 0 GEADRO CC(C)[C@@H](CC(F)(F)F)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418052977 648273744 /nfs/dbraw/zinc/27/37/44/648273744.db2.gz XZTPNBMTLXLQCK-MNOVXSKESA-N 1 0 378.361 2.099 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000418072241 648275097 /nfs/dbraw/zinc/27/50/97/648275097.db2.gz URKNMESIOCLMCK-SNVBAGLBSA-N 1 0 397.253 2.345 20 0 GEADRO OCCC[N@@H+]1CCC[C@@H]1CNCc1ccc(F)cc1I ZINC000418076442 648275452 /nfs/dbraw/zinc/27/54/52/648275452.db2.gz JEPCMXOWERVCHS-CQSZACIVSA-N 1 0 392.256 2.367 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418082239 648276653 /nfs/dbraw/zinc/27/66/53/648276653.db2.gz POJMXMSHHWBKEQ-SWHYSGLUSA-N 1 0 385.295 2.396 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418086664 648277397 /nfs/dbraw/zinc/27/73/97/648277397.db2.gz DBVKPVRFPXYFHD-GFCCVEGCSA-N 1 0 378.274 2.125 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418088691 648277865 /nfs/dbraw/zinc/27/78/65/648277865.db2.gz AGUJJLDSZFROMP-IPYPFGDCSA-N 1 0 381.318 2.407 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H]1C ZINC000418089610 648278231 /nfs/dbraw/zinc/27/82/31/648278231.db2.gz BOWSFXADAGNHAB-KCQAQPDRSA-N 1 0 381.318 2.420 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)[C@H]1C ZINC000418089611 648278436 /nfs/dbraw/zinc/27/84/36/648278436.db2.gz BOWSFXADAGNHAB-YDHLFZDLSA-N 1 0 381.318 2.420 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000418093704 648278707 /nfs/dbraw/zinc/27/87/07/648278707.db2.gz HALXSWDWBBLORE-BPLDGKMQSA-N 1 0 381.318 2.468 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418093023 648278735 /nfs/dbraw/zinc/27/87/35/648278735.db2.gz SGVAIEBHBMXCJH-WBMJQRKESA-N 1 0 392.301 2.432 20 0 GEADRO COC(=O)c1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000418105845 648280575 /nfs/dbraw/zinc/28/05/75/648280575.db2.gz BKRLDMVOAMQIJN-OLZOCXBDSA-N 1 0 385.302 2.123 20 0 GEADRO CCOc1cc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc(Br)c1O ZINC000418108343 648280837 /nfs/dbraw/zinc/28/08/37/648280837.db2.gz FYKVMYHSWGVHJO-OLZOCXBDSA-N 1 0 387.318 2.440 20 0 GEADRO COc1cc(Br)c(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1OC ZINC000418107576 648280860 /nfs/dbraw/zinc/28/08/60/648280860.db2.gz FBQPBYQGVFKODI-QWHCGFSZSA-N 1 0 387.318 2.353 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418107355 648280973 /nfs/dbraw/zinc/28/09/73/648280973.db2.gz ZCXWOLPDHZOETK-IVMMDQJWSA-N 1 0 381.318 2.325 20 0 GEADRO COc1cc(Br)c(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1OC ZINC000418107574 648281106 /nfs/dbraw/zinc/28/11/06/648281106.db2.gz FBQPBYQGVFKODI-OLZOCXBDSA-N 1 0 387.318 2.353 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418113725 648281583 /nfs/dbraw/zinc/28/15/83/648281583.db2.gz JUULXCGYBJAMHV-BSLXNSKLSA-N 1 0 399.276 2.129 20 0 GEADRO CCn1nncc1C[NH2+]C[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000418118793 648282487 /nfs/dbraw/zinc/28/24/87/648282487.db2.gz UDFBQKWUGWULPL-ZDUSSCGKSA-N 1 0 383.290 2.010 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000418128421 648283393 /nfs/dbraw/zinc/28/33/93/648283393.db2.gz QGMDSSADPKNLQG-XUWVNRHRSA-N 1 0 382.302 2.453 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCc1ccc(I)cc1Cl)C1CC1 ZINC000418125040 648283484 /nfs/dbraw/zinc/28/34/84/648283484.db2.gz NCYBFSUOGOARNP-GFCCVEGCSA-N 1 0 393.656 2.481 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(I)cc1Cl ZINC000418130784 648283696 /nfs/dbraw/zinc/28/36/96/648283696.db2.gz WZRJNRRKMYRAAD-JTQLQIEISA-N 1 0 381.645 2.481 20 0 GEADRO O=C(NCc1ccc(I)cc1Cl)NC[C@H]1CCC[NH2+]1 ZINC000418130030 648283738 /nfs/dbraw/zinc/28/37/38/648283738.db2.gz VSFHOLULBXUQFW-LLVKDONJSA-N 1 0 393.656 2.496 20 0 GEADRO Cc1cc(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)ccc1I ZINC000418144960 648285080 /nfs/dbraw/zinc/28/50/80/648285080.db2.gz WBKYJSGYMUZAJI-NEPJUHHUSA-N 1 0 387.265 2.491 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccsc2Br)CC12CCOCC2 ZINC000418154884 648285538 /nfs/dbraw/zinc/28/55/38/648285538.db2.gz KMHUSHHWNRNOIU-LBPRGKRZSA-N 1 0 388.331 2.408 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000418161130 648285919 /nfs/dbraw/zinc/28/59/19/648285919.db2.gz PNXHYKZUUHIAOP-JTQLQIEISA-N 1 0 393.656 2.435 20 0 GEADRO COCC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000418173883 648286686 /nfs/dbraw/zinc/28/66/86/648286686.db2.gz TUOLQVDBKSRYCP-BBRMVZONSA-N 1 0 389.327 2.274 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cc1F ZINC000418175410 648286786 /nfs/dbraw/zinc/28/67/86/648286786.db2.gz ASAIDOOVOSANAB-TZMCWYRMSA-N 1 0 399.308 2.338 20 0 GEADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)NCCC[NH3+])C1=O ZINC000418181947 648287235 /nfs/dbraw/zinc/28/72/35/648287235.db2.gz JLGNXYDKXIEYMA-CQSZACIVSA-N 1 0 397.317 2.209 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418198430 648287679 /nfs/dbraw/zinc/28/76/79/648287679.db2.gz VGBMCLWZSUATBV-ZIAGYGMSSA-N 1 0 384.322 2.067 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)NCc1c(Br)cncc1Br ZINC000418233880 648288990 /nfs/dbraw/zinc/28/89/90/648288990.db2.gz HLZIBLSQWYYTHU-ZETCQYMHSA-N 1 0 380.084 2.143 20 0 GEADRO C[C@@H]1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000418236202 648289291 /nfs/dbraw/zinc/28/92/91/648289291.db2.gz ULPHGRLSQHMGJI-ZIAGYGMSSA-N 1 0 387.933 2.130 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)NCc1c(Br)cncc1Br ZINC000418235608 648289332 /nfs/dbraw/zinc/28/93/32/648289332.db2.gz LFMRUSCVAWYOOV-SSDOTTSWSA-N 1 0 380.084 2.095 20 0 GEADRO COC[C@]1(CNC(=O)NCCOc2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000418234571 648289366 /nfs/dbraw/zinc/28/93/66/648289366.db2.gz IYWHWQHROXFDAB-MRXNPFEDSA-N 1 0 376.284 2.440 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1c(Br)cncc1Br ZINC000418241378 648289854 /nfs/dbraw/zinc/28/98/54/648289854.db2.gz SQJFVYLJHTZVGB-RQJHMYQMSA-N 1 0 380.084 2.142 20 0 GEADRO C[C@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@@H]1C[NH3+] ZINC000418255775 648290149 /nfs/dbraw/zinc/29/01/49/648290149.db2.gz BHMZVKSYNDEDNN-QWRGUYRKSA-N 1 0 380.290 2.452 20 0 GEADRO C[NH2+]CCCNC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000418280020 648290619 /nfs/dbraw/zinc/29/06/19/648290619.db2.gz QREMNDFOKWEHFL-UHFFFAOYSA-N 1 0 375.300 2.251 20 0 GEADRO C[NH2+]CCCNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418278986 648290859 /nfs/dbraw/zinc/29/08/59/648290859.db2.gz NIOXSKKCLILFCE-AWEZNQCLSA-N 1 0 381.826 2.427 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418294036 648291298 /nfs/dbraw/zinc/29/12/98/648291298.db2.gz FUHUBENNUVFVGR-AWEZNQCLSA-N 1 0 395.345 2.373 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)NCCN1CC[NH2+]CC1 ZINC000418294418 648291326 /nfs/dbraw/zinc/29/13/26/648291326.db2.gz HDEQQEZNJZVNKF-UHFFFAOYSA-N 1 0 383.334 2.276 20 0 GEADRO [NH3+]CCNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000418305535 648292291 /nfs/dbraw/zinc/29/22/91/648292291.db2.gz OMXBKTCAIRMVPM-GFCCVEGCSA-N 1 0 380.246 2.304 20 0 GEADRO CC[NH2+]CCNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418318593 648293019 /nfs/dbraw/zinc/29/30/19/648293019.db2.gz ADVCZADYRHZOSQ-LBPRGKRZSA-N 1 0 398.223 2.410 20 0 GEADRO O=C(CNC(=O)NCC[C@H]1CCC[NH2+]C1)Nc1cccc(Br)c1 ZINC000418340331 648293696 /nfs/dbraw/zinc/29/36/96/648293696.db2.gz GHTUIWIJZRYSEI-GFCCVEGCSA-N 1 0 383.290 2.077 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418365362 648294686 /nfs/dbraw/zinc/29/46/86/648294686.db2.gz JSHDKSXTAMUQKS-CYBMUJFWSA-N 1 0 396.289 2.202 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418367984 648294941 /nfs/dbraw/zinc/29/49/41/648294941.db2.gz LGLWUJXDWLMOIT-JTQLQIEISA-N 1 0 382.262 2.154 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000418385727 648295644 /nfs/dbraw/zinc/29/56/44/648295644.db2.gz KPUISLZTWADKMN-GFCCVEGCSA-N 1 0 387.311 2.316 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418394819 648296189 /nfs/dbraw/zinc/29/61/89/648296189.db2.gz BGILRZIQYADTGF-DOMZBBRYSA-N 1 0 390.297 2.022 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)C1CC1 ZINC000418397447 648296644 /nfs/dbraw/zinc/29/66/44/648296644.db2.gz JIMITWXMRCZGFG-CQSZACIVSA-N 1 0 396.289 2.188 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418408638 648297106 /nfs/dbraw/zinc/29/71/06/648297106.db2.gz NQJDMRKDFAGGFS-HNNXBMFYSA-N 1 0 395.305 2.155 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000418506905 648298986 /nfs/dbraw/zinc/29/89/86/648298986.db2.gz JPMOXBSUOOPWIU-OAHLLOKOSA-N 1 0 394.274 2.451 20 0 GEADRO C[C@]1(CNC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000418557708 648301827 /nfs/dbraw/zinc/30/18/27/648301827.db2.gz XAETUHVCBGUJQD-YJBOKZPZSA-N 1 0 398.345 2.289 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC000418575242 648302280 /nfs/dbraw/zinc/30/22/80/648302280.db2.gz GVMFIBQIPKGZRO-NUEKZKHPSA-N 1 0 384.318 2.169 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418579607 648302704 /nfs/dbraw/zinc/30/27/04/648302704.db2.gz RPDUJNRURBVOMU-ABAIWWIYSA-N 1 0 388.281 2.090 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418579609 648302740 /nfs/dbraw/zinc/30/27/40/648302740.db2.gz RPDUJNRURBVOMU-NHYWBVRUSA-N 1 0 388.281 2.090 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)C1 ZINC000418588147 648303159 /nfs/dbraw/zinc/30/31/59/648303159.db2.gz RQYBVUDPOWELAW-UONOGXRCSA-N 1 0 388.281 2.362 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418591314 648303617 /nfs/dbraw/zinc/30/36/17/648303617.db2.gz UQHVSVUMQXUUBG-VXGBXAGGSA-N 1 0 376.320 2.284 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418593270 648304019 /nfs/dbraw/zinc/30/40/19/648304019.db2.gz DUBMLWWWLJAQJQ-IVMMDQJWSA-N 1 0 398.345 2.348 20 0 GEADRO CN(Cc1ccc(Cl)cc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418605535 648304283 /nfs/dbraw/zinc/30/42/83/648304283.db2.gz AMEGCNBLKJEUSS-AWEZNQCLSA-N 1 0 378.826 2.318 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418607860 648304505 /nfs/dbraw/zinc/30/45/05/648304505.db2.gz XZWDFPUXBARAIN-YPMHNXCESA-N 1 0 390.297 2.036 20 0 GEADRO [NH3+]C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)C1CCCC1 ZINC000418609652 648304791 /nfs/dbraw/zinc/30/47/91/648304791.db2.gz CMNKAOATCVZRJV-PBHICJAKSA-N 1 0 398.345 2.417 20 0 GEADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418663769 648306387 /nfs/dbraw/zinc/30/63/87/648306387.db2.gz YOUHXAWVDHRNJU-ARFHVFGLSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418689238 648307230 /nfs/dbraw/zinc/30/72/30/648307230.db2.gz FQVKOMOEAKEGCW-DZGCQCFKSA-N 1 0 386.334 2.417 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000418699405 648307717 /nfs/dbraw/zinc/30/77/17/648307717.db2.gz IOGKQAUWNJYIDB-IAQYHMDHSA-N 1 0 388.306 2.260 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000418699408 648307727 /nfs/dbraw/zinc/30/77/27/648307727.db2.gz IOGKQAUWNJYIDB-NHYWBVRUSA-N 1 0 388.306 2.260 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)N[C@H](C)CCC[NH3+] ZINC000418712309 648307967 /nfs/dbraw/zinc/30/79/67/648307967.db2.gz VDDMFEDBINOIBT-TZMCWYRMSA-N 1 0 386.334 2.335 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418707130 648307998 /nfs/dbraw/zinc/30/79/98/648307998.db2.gz PGRQIQOGPFPYQB-DGCLKSJQSA-N 1 0 390.297 2.166 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H](C)CCC[NH3+] ZINC000418712308 648308082 /nfs/dbraw/zinc/30/80/82/648308082.db2.gz VDDMFEDBINOIBT-OCCSQVGLSA-N 1 0 386.334 2.335 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000418718976 648308437 /nfs/dbraw/zinc/30/84/37/648308437.db2.gz KKGIUEKMNNXQHN-OFQRWUPVSA-N 1 0 398.345 2.417 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418753530 648309196 /nfs/dbraw/zinc/30/91/96/648309196.db2.gz ASNYZALOSOSQAE-HOCLYGCPSA-N 1 0 377.897 2.475 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418756973 648309522 /nfs/dbraw/zinc/30/95/22/648309522.db2.gz FJRBGJDPLLJEKT-ZBFHGGJFSA-N 1 0 377.897 2.427 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000418757944 648309693 /nfs/dbraw/zinc/30/96/93/648309693.db2.gz GOEDUHTVLYTMOH-BLLLJJGKSA-N 1 0 377.897 2.427 20 0 GEADRO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000418760042 648310083 /nfs/dbraw/zinc/31/00/83/648310083.db2.gz IQAIAWASLDAZJI-MRXNPFEDSA-N 1 0 377.897 2.429 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000418760981 648310128 /nfs/dbraw/zinc/31/01/28/648310128.db2.gz JULOUXLAESKMFT-XFJVYGCCSA-N 1 0 377.897 2.413 20 0 GEADRO Cc1cc(C(C)(C)NC(=O)NC[C@H]2C[NH2+]CCN2C)ccc1Br ZINC000418770947 648311267 /nfs/dbraw/zinc/31/12/67/648311267.db2.gz VJKKBQNXLKBRSN-CQSZACIVSA-N 1 0 383.334 2.195 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418769314 648311297 /nfs/dbraw/zinc/31/12/97/648311297.db2.gz TXKNIDSANOFLFZ-INIZCTEOSA-N 1 0 383.334 2.273 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000418768782 648311358 /nfs/dbraw/zinc/31/13/58/648311358.db2.gz SMPUEMRAJVYXLF-XJKSGUPXSA-N 1 0 399.308 2.338 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000418781077 648312292 /nfs/dbraw/zinc/31/22/92/648312292.db2.gz CQNJXLICGLFMLW-MNOVXSKESA-N 1 0 376.320 2.142 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccc(F)cc1Br ZINC000418811771 648313488 /nfs/dbraw/zinc/31/34/88/648313488.db2.gz IEXKAMGDQWNPBR-AWEZNQCLSA-N 1 0 388.281 2.036 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418818865 648314023 /nfs/dbraw/zinc/31/40/23/648314023.db2.gz PMBOTPBCBISMCM-LMOYCYGVSA-N 1 0 382.291 2.318 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000418817728 648314058 /nfs/dbraw/zinc/31/40/58/648314058.db2.gz NHIAHNMDDUUZAS-TWINXVHLSA-N 1 0 384.307 2.409 20 0 GEADRO CC1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000418814667 648314064 /nfs/dbraw/zinc/31/40/64/648314064.db2.gz GTKIRORNHONXHY-DZGCQCFKSA-N 1 0 384.307 2.471 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418821621 648314329 /nfs/dbraw/zinc/31/43/29/648314329.db2.gz GUGLFRJODCTEFL-TWJWRFFLSA-N 1 0 394.313 2.007 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418847631 648316924 /nfs/dbraw/zinc/31/69/24/648316924.db2.gz VVUZOPTXSHPEEN-FZKQIMNGSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418847633 648317005 /nfs/dbraw/zinc/31/70/05/648317005.db2.gz VVUZOPTXSHPEEN-UGSOOPFHSA-N 1 0 396.329 2.002 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418859185 648318658 /nfs/dbraw/zinc/31/86/58/648318658.db2.gz XNYVVRILIAXBST-IUODEOHRSA-N 1 0 382.302 2.102 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000418874272 648320245 /nfs/dbraw/zinc/32/02/45/648320245.db2.gz ZKOQESAJUUFVRJ-AOLWHUPESA-N 1 0 394.313 2.131 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000418944695 648323649 /nfs/dbraw/zinc/32/36/49/648323649.db2.gz OMAQEJSVCSCILK-DETPVDSQSA-N 1 0 384.307 2.238 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)C[C@H]21 ZINC000418944696 648323731 /nfs/dbraw/zinc/32/37/31/648323731.db2.gz OMAQEJSVCSCILK-NORZTCDRSA-N 1 0 384.307 2.238 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418944168 648323762 /nfs/dbraw/zinc/32/37/62/648323762.db2.gz LVSNNEZTCMKNIZ-HNNXBMFYSA-N 1 0 382.302 2.262 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418956775 648325073 /nfs/dbraw/zinc/32/50/73/648325073.db2.gz ZGCPWBDFFKYLMG-MRXNPFEDSA-N 1 0 396.329 2.474 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)CCC1 ZINC000418957488 648325181 /nfs/dbraw/zinc/32/51/81/648325181.db2.gz ZVBAEBCSVYJPSB-OAHLLOKOSA-N 1 0 394.313 2.404 20 0 GEADRO O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)C(=O)NC1CC[NH2+]CC1 ZINC000418955943 648325261 /nfs/dbraw/zinc/32/52/61/648325261.db2.gz YTJIAUSBAZWPLB-MRXNPFEDSA-N 1 0 394.313 2.275 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418964843 648326000 /nfs/dbraw/zinc/32/60/00/648326000.db2.gz KFKDSOHPXUKJKO-GFCCVEGCSA-N 1 0 383.279 2.083 20 0 GEADRO Cc1sc([C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+])nc1-c1ccc(Cl)cc1 ZINC000418977668 648326549 /nfs/dbraw/zinc/32/65/49/648326549.db2.gz WENJAYCMLIDQJT-NXEZZACHSA-N 1 0 380.901 2.413 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419020461 648328014 /nfs/dbraw/zinc/32/80/14/648328014.db2.gz KYEJZKSRRNVORV-UMVBOHGHSA-N 1 0 396.329 2.082 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC000419029634 648328712 /nfs/dbraw/zinc/32/87/12/648328712.db2.gz YVEPPJBBPGGWBX-ZDUSSCGKSA-N 1 0 396.329 2.097 20 0 GEADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419043541 648329405 /nfs/dbraw/zinc/32/94/05/648329405.db2.gz RMUXIJGSBBRZPG-SNVBAGLBSA-N 1 0 394.686 2.010 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419040982 648329418 /nfs/dbraw/zinc/32/94/18/648329418.db2.gz JNYVJCYDQQMDQI-UTLUCORTSA-N 1 0 378.420 2.115 20 0 GEADRO CC[C@H](NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)c1ccc(Cl)s1 ZINC000419045425 648329870 /nfs/dbraw/zinc/32/98/70/648329870.db2.gz WLMQWUXIWWADHA-ZDUSSCGKSA-N 1 0 387.933 2.325 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419050911 648330445 /nfs/dbraw/zinc/33/04/45/648330445.db2.gz DVFFPHPSVWHQGC-OCCSQVGLSA-N 1 0 384.318 2.130 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419050956 648330468 /nfs/dbraw/zinc/33/04/68/648330468.db2.gz FEIRRZNIMGHOOP-NSHDSACASA-N 1 0 390.709 2.208 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)NCc2cccc(Br)c2Cl)CC1 ZINC000419051733 648330517 /nfs/dbraw/zinc/33/05/17/648330517.db2.gz GSQCJSBCHZZHBH-UHFFFAOYSA-N 1 0 388.693 2.105 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000419057118 648331538 /nfs/dbraw/zinc/33/15/38/648331538.db2.gz TURVDCBZIKXGHP-BBRMVZONSA-N 1 0 398.345 2.328 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419060623 648331914 /nfs/dbraw/zinc/33/19/14/648331914.db2.gz ZOLFHSCHSQZAMX-QWRGUYRKSA-N 1 0 388.693 2.105 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419068580 648332529 /nfs/dbraw/zinc/33/25/29/648332529.db2.gz MOTUKEDLUMPKPE-CYBMUJFWSA-N 1 0 390.709 2.352 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419078692 648332898 /nfs/dbraw/zinc/33/28/98/648332898.db2.gz ZFSLYLWDWYSETA-QWHCGFSZSA-N 1 0 388.693 2.105 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419105752 648334436 /nfs/dbraw/zinc/33/44/36/648334436.db2.gz CLKMFZDDXDOJGV-GFCCVEGCSA-N 1 0 390.347 2.001 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000419106074 648334603 /nfs/dbraw/zinc/33/46/03/648334603.db2.gz JKAMEHQWPWKCTP-KWQFWETISA-N 1 0 396.207 2.022 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419109060 648334910 /nfs/dbraw/zinc/33/49/10/648334910.db2.gz REUJFBVSXHGXKB-ZYHUDNBSSA-N 1 0 380.901 2.200 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419124820 648335603 /nfs/dbraw/zinc/33/56/03/648335603.db2.gz IZSGYIMBGGBFII-CVEARBPZSA-N 1 0 377.897 2.475 20 0 GEADRO O=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419132575 648336296 /nfs/dbraw/zinc/33/62/96/648336296.db2.gz FAMDHKFHZZRCHV-ZDUSSCGKSA-N 1 0 384.307 2.400 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419137455 648336828 /nfs/dbraw/zinc/33/68/28/648336828.db2.gz QRIMZXPVFACPBD-UHFFFAOYSA-N 1 0 390.709 2.162 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419142533 648337032 /nfs/dbraw/zinc/33/70/32/648337032.db2.gz YGYWAWBWXWDYSH-NEPJUHHUSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419142541 648337233 /nfs/dbraw/zinc/33/72/33/648337233.db2.gz YGYWAWBWXWDYSH-VXGBXAGGSA-N 1 0 388.295 2.074 20 0 GEADRO O=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)C(=O)NC1CC[NH2+]CC1 ZINC000419154737 648337719 /nfs/dbraw/zinc/33/77/19/648337719.db2.gz QMTSZWLRDIHDTE-UHFFFAOYSA-N 1 0 384.307 2.400 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000419157778 648337962 /nfs/dbraw/zinc/33/79/62/648337962.db2.gz WQQMNXHDXOSCQA-YVEFUNNKSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000419157889 648338023 /nfs/dbraw/zinc/33/80/23/648338023.db2.gz WZCLZVFELWBKEH-TYNCELHUSA-N 1 0 382.302 2.355 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)C1 ZINC000419159345 648338284 /nfs/dbraw/zinc/33/82/84/648338284.db2.gz XGRFTOAJVLSSEF-CYBMUJFWSA-N 1 0 384.307 2.481 20 0 GEADRO O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)C(=O)NC1CC[NH2+]CC1 ZINC000419180113 648339715 /nfs/dbraw/zinc/33/97/15/648339715.db2.gz XCWNPEGFNNXPJS-UHFFFAOYSA-N 1 0 384.307 2.400 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ccsc1Br)C1CCCCC1 ZINC000419187829 648340429 /nfs/dbraw/zinc/34/04/29/648340429.db2.gz RSEXJQVWFQHOMD-LBPRGKRZSA-N 1 0 388.331 2.151 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)CC[C@H]1[NH3+] ZINC000419187066 648340561 /nfs/dbraw/zinc/34/05/61/648340561.db2.gz MWIFLCFVQUHPPY-IUODEOHRSA-N 1 0 396.329 2.039 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419202529 648341698 /nfs/dbraw/zinc/34/16/98/648341698.db2.gz NQOCGGGSLYFOTE-UHFFFAOYSA-N 1 0 396.329 2.231 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)c1cccc(Cl)c1Cl ZINC000419256584 648343164 /nfs/dbraw/zinc/34/31/64/648343164.db2.gz XRNOKKNDPFFTRK-KWBADKCTSA-N 1 0 388.295 2.400 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1csc(Br)c1)C1CCCCC1 ZINC000419273165 648343573 /nfs/dbraw/zinc/34/35/73/648343573.db2.gz AGKJXWZBMDGTOV-LBPRGKRZSA-N 1 0 388.331 2.151 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419295826 648345309 /nfs/dbraw/zinc/34/53/09/648345309.db2.gz DEHWPQNCONHROL-CJNGLKHVSA-N 1 0 396.329 2.410 20 0 GEADRO CCC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419302488 648345990 /nfs/dbraw/zinc/34/59/90/648345990.db2.gz MGZYQGSUHDUKFF-SWLSCSKDSA-N 1 0 388.295 2.137 20 0 GEADRO CCC[C@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419302490 648346109 /nfs/dbraw/zinc/34/61/09/648346109.db2.gz MGZYQGSUHDUKFF-WFASDCNBSA-N 1 0 388.295 2.137 20 0 GEADRO CC[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Cc1cccc(Br)c1 ZINC000419368565 648350417 /nfs/dbraw/zinc/35/04/17/648350417.db2.gz WUTUJSFPELSCPG-XJKSGUPXSA-N 1 0 396.329 2.084 20 0 GEADRO CC[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000419367998 648350424 /nfs/dbraw/zinc/35/04/24/648350424.db2.gz VYUYSVNZFVTNJX-XJKSGUPXSA-N 1 0 396.329 2.002 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419371377 648350937 /nfs/dbraw/zinc/35/09/37/648350937.db2.gz ISBDVPGSOFCHSQ-ZDUSSCGKSA-N 1 0 396.329 2.231 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccc(Br)s2)[C@@H](C)C[N@@H+]1CCO ZINC000419424151 648351713 /nfs/dbraw/zinc/35/17/13/648351713.db2.gz CJJDJDNJDDEMLZ-MNOVXSKESA-N 1 0 376.320 2.107 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419442915 648352770 /nfs/dbraw/zinc/35/27/70/648352770.db2.gz RKTORSIKUJKVKZ-ILXRZTDVSA-N 1 0 398.345 2.477 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cc(Br)ccc1F ZINC000419434210 648352888 /nfs/dbraw/zinc/35/28/88/648352888.db2.gz KLFHGLXUQSXEMN-NWDGAFQWSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419500786 648354383 /nfs/dbraw/zinc/35/43/83/648354383.db2.gz ADJHRJSQHVZDBW-QWHCGFSZSA-N 1 0 396.329 2.039 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419500784 648354618 /nfs/dbraw/zinc/35/46/18/648354618.db2.gz ADJHRJSQHVZDBW-OLZOCXBDSA-N 1 0 396.329 2.039 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccsc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000419506080 648355104 /nfs/dbraw/zinc/35/51/04/648355104.db2.gz MNWNCRMWOQCTNH-MNOVXSKESA-N 1 0 376.320 2.107 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000419520688 648356134 /nfs/dbraw/zinc/35/61/34/648356134.db2.gz IPAOQJWDXSXSGU-STQMWFEESA-N 1 0 396.329 2.039 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2nnc(C3CC3)s2)C1 ZINC000419595199 648357964 /nfs/dbraw/zinc/35/79/64/648357964.db2.gz KXUXVWFVHWYARD-AWEZNQCLSA-N 1 0 384.571 2.122 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419672406 648361918 /nfs/dbraw/zinc/36/19/18/648361918.db2.gz HMMYUBDBMSQVCC-ZDUSSCGKSA-N 1 0 395.301 2.180 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419680545 648363607 /nfs/dbraw/zinc/36/36/07/648363607.db2.gz SIGXETTZPCDVBE-CYBMUJFWSA-N 1 0 395.301 2.036 20 0 GEADRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000419685608 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[NH3+][C@@H](CNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C1CC1 ZINC000419754139 648375390 /nfs/dbraw/zinc/37/53/90/648375390.db2.gz BLXUHFFQWBMMAH-NSHDSACASA-N 1 0 396.221 2.065 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419802101 648380081 /nfs/dbraw/zinc/38/00/81/648380081.db2.gz LGBNOFVZPVNLLH-UHFFFAOYSA-N 1 0 396.329 2.228 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419805573 648380523 /nfs/dbraw/zinc/38/05/23/648380523.db2.gz QDJHRHNSLRITFR-UHFFFAOYSA-N 1 0 382.302 2.185 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000419818195 648381696 /nfs/dbraw/zinc/38/16/96/648381696.db2.gz LFSGRIYIHUFYDX-XJKSGUPXSA-N 1 0 398.345 2.328 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[NH2+]1 ZINC000419822368 648382264 /nfs/dbraw/zinc/38/22/64/648382264.db2.gz PLVCPXWMBOKDRY-SWLSCSKDSA-N 1 0 396.329 2.100 20 0 GEADRO CCCN(C(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000419822852 648382354 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CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419853903 648385956 /nfs/dbraw/zinc/38/59/56/648385956.db2.gz UGTZHYUEVDPVGQ-UHFFFAOYSA-N 1 0 382.302 2.054 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419868866 648386293 /nfs/dbraw/zinc/38/62/93/648386293.db2.gz VVIXKGMDMFDEJT-QWHCGFSZSA-N 1 0 382.302 2.084 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000419895754 648386782 /nfs/dbraw/zinc/38/67/82/648386782.db2.gz SZQHDMRBBYLVIW-DOMZBBRYSA-N 1 0 398.276 2.120 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1)[C@H]1CCC[NH2+]C1 ZINC000419908548 648387614 /nfs/dbraw/zinc/38/76/14/648387614.db2.gz YPEDLBPIZSMMOS-YPMHNXCESA-N 1 0 384.307 2.382 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419909504 648387747 /nfs/dbraw/zinc/38/77/47/648387747.db2.gz MGFGBWYXVSZKNE-UHFFFAOYSA-N 1 0 396.329 2.304 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000419939113 648390355 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20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc2c(Br)cccc2cn1 ZINC000419995357 648393681 /nfs/dbraw/zinc/39/36/81/648393681.db2.gz KFHZDGSCDZFGHZ-KRWDZBQOSA-N 1 0 380.286 2.430 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419990420 648393733 /nfs/dbraw/zinc/39/37/33/648393733.db2.gz HTVFMNMNTCUCEQ-GHMZBOCLSA-N 1 0 376.284 2.073 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419997231 648394197 /nfs/dbraw/zinc/39/41/97/648394197.db2.gz JRWKAWBGOPQDOX-QWHCGFSZSA-N 1 0 382.302 2.227 20 0 GEADRO Cc1cc(C2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)ccc1Br ZINC000420006762 648394954 /nfs/dbraw/zinc/39/49/54/648394954.db2.gz RMHPIXGGLVGHKA-ZDUSSCGKSA-N 1 0 396.329 2.317 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000420005581 648395000 /nfs/dbraw/zinc/39/50/00/648395000.db2.gz XPDRFEZCMHEONO-MRXNPFEDSA-N 1 0 387.293 2.439 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000420010130 648395451 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CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420058891 648398902 /nfs/dbraw/zinc/39/89/02/648398902.db2.gz KBSGCYGYHWUFIV-CJNGLKHVSA-N 1 0 396.329 2.431 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420060459 648398919 /nfs/dbraw/zinc/39/89/19/648398919.db2.gz KOXXXHPNTPUHND-INIZCTEOSA-N 1 0 396.329 2.287 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420074575 648399620 /nfs/dbraw/zinc/39/96/20/648399620.db2.gz QTDFLQPVIRCOQG-INIZCTEOSA-N 1 0 396.329 2.431 20 0 GEADRO C[C@]1(CNC(=O)C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CCC[NH2+]C1 ZINC000420118748 648402861 /nfs/dbraw/zinc/40/28/61/648402861.db2.gz KFMVCUYKMJKNTN-SFHVURJKSA-N 1 0 384.307 2.384 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000420120897 648403272 /nfs/dbraw/zinc/40/32/72/648403272.db2.gz KFGREFCVFZUAHO-UHOFOFEASA-N 1 0 394.313 2.369 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000420127240 648403651 /nfs/dbraw/zinc/40/36/51/648403651.db2.gz OTGFINPLIRIKEG-UHOFOFEASA-N 1 0 394.313 2.227 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420129018 648403872 /nfs/dbraw/zinc/40/38/72/648403872.db2.gz QJRYXWKHAMGJQD-FRRDWIJNSA-N 1 0 382.302 2.225 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000420131373 648404315 /nfs/dbraw/zinc/40/43/15/648404315.db2.gz RXCKCPOJSXDFGW-WQVCFCJDSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420142986 648405341 /nfs/dbraw/zinc/40/53/41/648405341.db2.gz WHCUUPMDRHGITK-NSHDSACASA-N 1 0 382.291 2.475 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420148280 648406004 /nfs/dbraw/zinc/40/60/04/648406004.db2.gz UDNYOKKRBZJJHZ-CZUORRHYSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000420151581 648406079 /nfs/dbraw/zinc/40/60/79/648406079.db2.gz YGTSMMLMNOUVCE-CZUORRHYSA-N 1 0 377.535 2.453 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000420162594 648406996 /nfs/dbraw/zinc/40/69/96/648406996.db2.gz KPWVOKMMQREHDL-DOMZBBRYSA-N 1 0 382.302 2.054 20 0 GEADRO Ic1cccc2ncnc(NCC[C@@H]3CCC[NH2+]C3)c12 ZINC000420189637 648408763 /nfs/dbraw/zinc/40/87/63/648408763.db2.gz GICHFFLEBVJRTP-NSHDSACASA-N 1 0 382.249 3.036 20 0 GEADRO NS(=O)(=O)c1cc(F)c(NC[C@@H]2CCC[C@H]([NH3+])C2)c(Br)c1 ZINC000420287387 648412735 /nfs/dbraw/zinc/41/27/35/648412735.db2.gz RJLHYPFREBFHPE-BDAKNGLRSA-N 1 0 380.283 2.165 20 0 GEADRO O=C1[C@@H](N2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345239 648412832 /nfs/dbraw/zinc/41/28/32/648412832.db2.gz ADWQJEKHGTVQEZ-PBHICJAKSA-N 1 0 383.323 2.078 20 0 GEADRO O=C1[C@H](N2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000420345240 648413524 /nfs/dbraw/zinc/41/35/24/648413524.db2.gz ADWQJEKHGTVQEZ-RHSMWYFYSA-N 1 0 383.323 2.078 20 0 GEADRO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1ccccc1I ZINC000420345823 648413615 /nfs/dbraw/zinc/41/36/15/648413615.db2.gz BKFUJMHSJOKFMF-TXEJJXNPSA-N 1 0 385.249 2.056 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1ccccc1I ZINC000420358384 648414119 /nfs/dbraw/zinc/41/41/19/648414119.db2.gz INQQNSVJTLLUPT-LBPRGKRZSA-N 1 0 375.254 2.193 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000420382272 648414925 /nfs/dbraw/zinc/41/49/25/648414925.db2.gz ZSVVLPDPJVSWJH-CYBMUJFWSA-N 1 0 387.265 2.207 20 0 GEADRO C[NH2+]CCCN(C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000420382993 648415207 /nfs/dbraw/zinc/41/52/07/648415207.db2.gz AWDINLVDIABJRB-LLVKDONJSA-N 1 0 375.254 2.160 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420408225 648415761 /nfs/dbraw/zinc/41/57/61/648415761.db2.gz UEXJBLVSACGDRO-MLGOLLRUSA-N 1 0 399.276 2.446 20 0 GEADRO O=S(=O)(CCN1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420391751 648416042 /nfs/dbraw/zinc/41/60/42/648416042.db2.gz ZCIOEKZXPVNBLT-MRXNPFEDSA-N 1 0 387.343 2.298 20 0 GEADRO O=S(=O)(c1cc(Br)cc(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420450288 648417694 /nfs/dbraw/zinc/41/76/94/648417694.db2.gz PCUCTCFDSTWQSH-PELKAZGASA-N 1 0 399.232 2.450 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000420468329 648418695 /nfs/dbraw/zinc/41/86/95/648418695.db2.gz UFRIIQOFSSQVIC-SECBINFHSA-N 1 0 387.246 2.027 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc1Br ZINC000420469598 648419311 /nfs/dbraw/zinc/41/93/11/648419311.db2.gz VUKWGYXQPYJYRC-SNVBAGLBSA-N 1 0 387.246 2.109 20 0 GEADRO CN(CC[NH3+])S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000420472059 648419773 /nfs/dbraw/zinc/41/97/73/648419773.db2.gz REOJBOGBGSEXCN-UHFFFAOYSA-N 1 0 376.301 2.152 20 0 GEADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000420474049 648420238 /nfs/dbraw/zinc/42/02/38/648420238.db2.gz DZCGNGUXSVLBPR-CYBMUJFWSA-N 1 0 383.543 2.122 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420476468 648420913 /nfs/dbraw/zinc/42/09/13/648420913.db2.gz IGMDLBOBBOCACZ-PIGZYNQJSA-N 1 0 382.507 2.293 20 0 GEADRO Cc1cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(F)cc1Br ZINC000420477678 648420942 /nfs/dbraw/zinc/42/09/42/648420942.db2.gz UXGOQUTUBHUMSV-CQSZACIVSA-N 1 0 377.279 2.413 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420482448 648421387 /nfs/dbraw/zinc/42/13/87/648421387.db2.gz UHJFTRKLLZGXPP-KBPBESRZSA-N 1 0 390.933 2.361 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420483306 648421433 /nfs/dbraw/zinc/42/14/33/648421433.db2.gz VVVBULMBHMTYKL-JQWIXIFHSA-N 1 0 391.331 2.372 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420482469 648421452 /nfs/dbraw/zinc/42/14/52/648421452.db2.gz UKUUYMSGITVBSX-HZSPNIEDSA-N 1 0 390.933 2.359 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@H]1[NH+](C)C ZINC000420693655 648436936 /nfs/dbraw/zinc/43/69/36/648436936.db2.gz USILHUFYTVGQFF-PWSUYJOCSA-N 1 0 384.445 2.093 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000420758941 648452301 /nfs/dbraw/zinc/45/23/01/648452301.db2.gz CZMWKFBLOQMEGQ-LLVKDONJSA-N 1 0 377.304 2.172 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000420774151 648455983 /nfs/dbraw/zinc/45/59/83/648455983.db2.gz YCMOGMGHWAZDHV-SECBINFHSA-N 1 0 383.258 2.442 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(F)c1Cl ZINC000420773765 648456044 /nfs/dbraw/zinc/45/60/44/648456044.db2.gz XTCJZAFKXRLSIN-SNVBAGLBSA-N 1 0 395.859 2.291 20 0 GEADRO C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)C1=O ZINC000420957379 648458835 /nfs/dbraw/zinc/45/88/35/648458835.db2.gz BLFYVPXPKBQTSV-TZMCWYRMSA-N 1 0 380.286 2.396 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000420825578 648458947 /nfs/dbraw/zinc/45/89/47/648458947.db2.gz SFHYLKDFTKYYDB-CQSZACIVSA-N 1 0 380.290 2.332 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000421296052 648485054 /nfs/dbraw/zinc/48/50/54/648485054.db2.gz JCZDRPOYHVZFIM-JTQLQIEISA-N 1 0 390.228 2.218 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000421298065 648485704 /nfs/dbraw/zinc/48/57/04/648485704.db2.gz MGDUIVBHYCRDAC-VIFPVBQESA-N 1 0 390.228 2.218 20 0 GEADRO C[N@H+](CCCCNC(=O)C(=O)NCc1ccccc1Br)C1CC1 ZINC000421329315 648487782 /nfs/dbraw/zinc/48/77/82/648487782.db2.gz VEZTWTCCIYQHCI-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO CCCN1C[C@H](C[NH2+]Cc2ncc(I)s2)CC1=O ZINC000421357224 648488182 /nfs/dbraw/zinc/48/81/82/648488182.db2.gz ZVYFZLBXWXBWSO-VIFPVBQESA-N 1 0 379.267 2.096 20 0 GEADRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000421346946 648488377 /nfs/dbraw/zinc/48/83/77/648488377.db2.gz ARVZLOOPJWUGKO-JOCQHMNTSA-N 1 0 392.301 2.411 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000421371067 648488672 /nfs/dbraw/zinc/48/86/72/648488672.db2.gz ZXKIAKAPHDCJDH-IHRRRGAJSA-N 1 0 399.329 2.413 20 0 GEADRO CCOc1cc(C[N@H+](C[C@H](O)CO)C(C)C)cc(Br)c1OC ZINC000421399385 648490443 /nfs/dbraw/zinc/49/04/43/648490443.db2.gz AEWYGOKXXIUIBJ-ZDUSSCGKSA-N 1 0 376.291 2.420 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000421518475 648495925 /nfs/dbraw/zinc/49/59/25/648495925.db2.gz OYMSWOWNRYAIDY-AWEZNQCLSA-N 1 0 396.329 2.222 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000421707905 648505443 /nfs/dbraw/zinc/50/54/43/648505443.db2.gz YPINTTNRLMDUDX-KBPBESRZSA-N 1 0 394.313 2.355 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)c3cc(Br)cn3C)CC2)CC1 ZINC000422006586 648517380 /nfs/dbraw/zinc/51/73/80/648517380.db2.gz MBZJOKQYKBXNNZ-UHFFFAOYSA-N 1 0 397.361 2.420 20 0 GEADRO CC[NH+]1CCC(N2CCCN(C(=O)c3ncccc3Br)CC2)CC1 ZINC000422012753 648517806 /nfs/dbraw/zinc/51/78/06/648517806.db2.gz DSGSQTMFQZVGRR-UHFFFAOYSA-N 1 0 395.345 2.476 20 0 GEADRO C[N@H+](CCCCNC(=O)C(=O)NCc1sccc1Br)C1CC1 ZINC000422281254 648533101 /nfs/dbraw/zinc/53/31/01/648533101.db2.gz JFCBPARKJJJJDC-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422306297 648535249 /nfs/dbraw/zinc/53/52/49/648535249.db2.gz LSQDSZINVZBPKQ-INIZCTEOSA-N 1 0 396.329 2.098 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000422325509 648536713 /nfs/dbraw/zinc/53/67/13/648536713.db2.gz ZKNGJGWQPAKHJP-LSDHHAIUSA-N 1 0 396.329 2.363 20 0 GEADRO CS[C@@H]1CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000422340802 648538315 /nfs/dbraw/zinc/53/83/15/648538315.db2.gz NNPIQVUBEPDCED-JKSUJKDBSA-N 1 0 383.583 2.429 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000422458119 648547001 /nfs/dbraw/zinc/54/70/01/648547001.db2.gz VAVJXQCDNNRLNJ-UHFFFAOYSA-N 1 0 396.329 2.364 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422491413 648551476 /nfs/dbraw/zinc/55/14/76/648551476.db2.gz NWDZPBZVNAHNQR-CQSZACIVSA-N 1 0 396.329 2.256 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2cc(C)ccc2Br)C1 ZINC000422510137 648553139 /nfs/dbraw/zinc/55/31/39/648553139.db2.gz ADQBVDUCUZOMOY-CQSZACIVSA-N 1 0 396.329 2.222 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000422515964 648555130 /nfs/dbraw/zinc/55/51/30/648555130.db2.gz IXRHENYTWYQTBP-ZFWWWQNUSA-N 1 0 396.329 2.315 20 0 GEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1nnc(C(F)(F)F)s1 ZINC000517117591 648555929 /nfs/dbraw/zinc/55/59/29/648555929.db2.gz KLBNLBDNPZNISK-UHFFFAOYSA-N 1 0 379.408 2.323 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422551637 648558185 /nfs/dbraw/zinc/55/81/85/648558185.db2.gz FNILMSRHGDDCBS-MJVIPROJSA-N 1 0 388.917 2.429 20 0 GEADRO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000422548335 648558318 /nfs/dbraw/zinc/55/83/18/648558318.db2.gz YTKHADRZNJTPHR-QWHCGFSZSA-N 1 0 394.313 2.105 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422554163 648558732 /nfs/dbraw/zinc/55/87/32/648558732.db2.gz LTJSJPHHCYJNGS-SRVKXCTJSA-N 1 0 391.331 2.452 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1Cl ZINC000422554610 648558832 /nfs/dbraw/zinc/55/88/32/648558832.db2.gz NAICFWMHHUYHNT-SCVCMEIPSA-N 1 0 391.896 2.431 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)NC(C)(C)CC[NH3+])C2=O)ccc1Br ZINC000422618596 648563038 /nfs/dbraw/zinc/56/30/38/648563038.db2.gz LYYZLPXIFDIMGZ-AWEZNQCLSA-N 1 0 397.317 2.289 20 0 GEADRO C[C@@H]1C[C@@H](C)N(Cc2nnnn2-c2ccccc2Br)C[C@@H]1C[NH3+] ZINC000422625207 648563714 /nfs/dbraw/zinc/56/37/14/648563714.db2.gz AYAWBEUWKRTCFJ-UPJWGTAASA-N 1 0 379.306 2.230 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422899058 648575919 /nfs/dbraw/zinc/57/59/19/648575919.db2.gz NMWZVULTOLMPRA-IAOVAPTHSA-N 1 0 396.329 2.159 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)NCCc2nc3cc(Cl)ccc3s2)nn1 ZINC000422949849 648578371 /nfs/dbraw/zinc/57/83/71/648578371.db2.gz WUHMRDOYAYVQDW-UHFFFAOYSA-N 1 0 378.889 2.253 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422962023 648578872 /nfs/dbraw/zinc/57/88/72/648578872.db2.gz BRPLUCAYOSAVSO-GFCCVEGCSA-N 1 0 384.307 2.395 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422957003 648578906 /nfs/dbraw/zinc/57/89/06/648578906.db2.gz RWLWWCFTXWOFJJ-WMZOPIPTSA-N 1 0 396.329 2.443 20 0 GEADRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422954593 648578950 /nfs/dbraw/zinc/57/89/50/648578950.db2.gz JGGSWMCSNULADA-INIZCTEOSA-N 1 0 387.933 2.032 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000422994292 648580382 /nfs/dbraw/zinc/58/03/82/648580382.db2.gz HKGBCHDRTLCCIU-HNNXBMFYSA-N 1 0 384.318 2.239 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423106869 648580483 /nfs/dbraw/zinc/58/04/83/648580483.db2.gz RMZLTMDSEFNDOC-CQSZACIVSA-N 1 0 396.329 2.385 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423110261 648581477 /nfs/dbraw/zinc/58/14/77/648581477.db2.gz VJGWDQBJXAJPQP-HIFRSBDPSA-N 1 0 396.329 2.382 20 0 GEADRO [NH3+][C@H]1C[C@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000423112692 648581535 /nfs/dbraw/zinc/58/15/35/648581535.db2.gz JZVNCRGCTKPAGZ-HOTGVXAUSA-N 1 0 383.876 2.492 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC000423124198 648582910 /nfs/dbraw/zinc/58/29/10/648582910.db2.gz MGGOBRPMUQZXPD-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423123300 648582973 /nfs/dbraw/zinc/58/29/73/648582973.db2.gz LCXSRQFUDGPXHZ-UHFFFAOYSA-N 1 0 396.329 2.385 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000423130268 648584098 /nfs/dbraw/zinc/58/40/98/648584098.db2.gz GMUDDJKOZZWOHC-UHFFFAOYSA-N 1 0 380.290 2.094 20 0 GEADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@@H]2COCCN2)cc1Br ZINC000423149860 648584567 /nfs/dbraw/zinc/58/45/67/648584567.db2.gz BBDYFCLDKIZYOK-BHYGNILZSA-N 1 0 385.346 2.265 20 0 GEADRO Cn1cc(I)c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423152065 648585176 /nfs/dbraw/zinc/58/51/76/648585176.db2.gz FIKHQEUWFRUGEY-KWCYVHTRSA-N 1 0 388.297 2.425 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000423165182 648586171 /nfs/dbraw/zinc/58/61/71/648586171.db2.gz ASMLDSAOJXMATJ-INIZCTEOSA-N 1 0 394.313 2.323 20 0 GEADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423171776 648586573 /nfs/dbraw/zinc/58/65/73/648586573.db2.gz PXUXXXMYIVIMJL-QGZVFWFLSA-N 1 0 382.507 2.382 20 0 GEADRO C[C@H]1CC[NH2+][C@H](C(=O)NCCC(=O)N(C)Cc2ccccc2Br)C1 ZINC000423176275 648587136 /nfs/dbraw/zinc/58/71/36/648587136.db2.gz GATHHHUKFHKREC-BBRMVZONSA-N 1 0 396.329 2.302 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000423248941 648588190 /nfs/dbraw/zinc/58/81/90/648588190.db2.gz SFABXGUVCMSMBS-DZGCQCFKSA-N 1 0 396.329 2.036 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423271186 648588862 /nfs/dbraw/zinc/58/88/62/648588862.db2.gz IRPIKGNKROOPLS-GFCCVEGCSA-N 1 0 380.290 2.141 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000423254455 648589039 /nfs/dbraw/zinc/58/90/39/648589039.db2.gz YCLSUJABJRXMGI-SWLSCSKDSA-N 1 0 385.302 2.083 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000423359430 648590202 /nfs/dbraw/zinc/59/02/02/648590202.db2.gz KKQOBZXWUKNZMI-JKSUJKDBSA-N 1 0 381.929 2.167 20 0 GEADRO CC[C@H](NC[C@@]1(COC)CCC[NH2+]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423413630 648590634 /nfs/dbraw/zinc/59/06/34/648590634.db2.gz LCRNYBTXDWFIBQ-DOTOQJQBSA-N 1 0 389.949 2.057 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)CC[C@H]1[NH3+] ZINC000423478552 648592101 /nfs/dbraw/zinc/59/21/01/648592101.db2.gz NIJUMDOWQDYILJ-BFQNTYOBSA-N 1 0 394.313 2.091 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000423517496 648594117 /nfs/dbraw/zinc/59/41/17/648594117.db2.gz HPMYQUNGEDKDNR-XJKSGUPXSA-N 1 0 394.313 2.228 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423529989 648594770 /nfs/dbraw/zinc/59/47/70/648594770.db2.gz OWYHXABWYVFCHO-CYBMUJFWSA-N 1 0 388.295 2.041 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000423552174 648594987 /nfs/dbraw/zinc/59/49/87/648594987.db2.gz CNQAPOCTTYWBIP-STQMWFEESA-N 1 0 382.302 2.036 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423570519 648595913 /nfs/dbraw/zinc/59/59/13/648595913.db2.gz UXPLEZQIYOHKAR-GFCCVEGCSA-N 1 0 382.302 2.179 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000423572247 648595971 /nfs/dbraw/zinc/59/59/71/648595971.db2.gz PNVJZSITMQKLGB-UHFFFAOYSA-N 1 0 394.313 2.133 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423604116 648596889 /nfs/dbraw/zinc/59/68/89/648596889.db2.gz UYRZEJBEXYMIPB-CYBMUJFWSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000423653411 648598006 /nfs/dbraw/zinc/59/80/06/648598006.db2.gz YWXUZBKFTNYWKY-ONGXEEELSA-N 1 0 378.523 2.067 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000423671361 648599049 /nfs/dbraw/zinc/59/90/49/648599049.db2.gz CBQFRCNVSHPJKY-MRXNPFEDSA-N 1 0 381.929 2.243 20 0 GEADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000423708097 648600371 /nfs/dbraw/zinc/60/03/71/648600371.db2.gz LUFOLAXSQWTPML-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423725150 648600888 /nfs/dbraw/zinc/60/08/88/648600888.db2.gz HNXUQFHLPFMDTG-XCBNKYQSSA-N 1 0 375.064 2.041 20 0 GEADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ncc(Br)cc1Br ZINC000423735274 648600964 /nfs/dbraw/zinc/60/09/64/648600964.db2.gz PBCHGWMSNHCPDY-VIFPVBQESA-N 1 0 377.080 2.477 20 0 GEADRO COC[C@]1(C(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC[NH2+]C1 ZINC000423825696 648601864 /nfs/dbraw/zinc/60/18/64/648601864.db2.gz NWYKIEFFHQGXKE-KRWDZBQOSA-N 1 0 383.279 3.052 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)Cc1ccc(I)cc1)C(F)(F)F ZINC000423748081 648602038 /nfs/dbraw/zinc/60/20/38/648602038.db2.gz ZGFUWIOXVAAWCG-SNVBAGLBSA-N 1 0 386.155 2.230 20 0 GEADRO CN(Cc1ccc(F)cc1Br)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000423920121 648602963 /nfs/dbraw/zinc/60/29/63/648602963.db2.gz VHEIRJPKXIGZQZ-UHFFFAOYSA-N 1 0 384.253 2.191 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000423945701 648604128 /nfs/dbraw/zinc/60/41/28/648604128.db2.gz BFBCKVQXKJWUKR-BXUZGUMPSA-N 1 0 382.302 2.292 20 0 GEADRO [NH3+]C[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C1CCCC1 ZINC000423961994 648605587 /nfs/dbraw/zinc/60/55/87/648605587.db2.gz OONJFOOISLJGLS-CQSZACIVSA-N 1 0 383.286 2.397 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1[nH]nc2ccc(I)cc21)C1CCCC1 ZINC000423970172 648606428 /nfs/dbraw/zinc/60/64/28/648606428.db2.gz WNOAUNOVMAZESR-CYBMUJFWSA-N 1 0 398.248 2.415 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@]1(C)C[NH3+] ZINC000423980715 648606803 /nfs/dbraw/zinc/60/68/03/648606803.db2.gz FKXBAENCSUPMMT-HNJNHCNJSA-N 1 0 394.313 2.245 20 0 GEADRO CN(CC[NH3+])C(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC000423998177 648607877 /nfs/dbraw/zinc/60/78/77/648607877.db2.gz ADZLQALKJQESNV-UHFFFAOYSA-N 1 0 392.179 2.079 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)CCc3ccc(Br)cc3)C2)nn1 ZINC000423997809 648607929 /nfs/dbraw/zinc/60/79/29/648607929.db2.gz IEUMCQTXYNDYKV-INIZCTEOSA-N 1 0 392.301 2.296 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)Cc3ccc(Br)c(F)c3)C2)nn1 ZINC000423997750 648607935 /nfs/dbraw/zinc/60/79/35/648607935.db2.gz AFKBJPXTKIEAMJ-CYBMUJFWSA-N 1 0 396.264 2.045 20 0 GEADRO Cc1ccc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(Br)c1 ZINC000424001478 648608579 /nfs/dbraw/zinc/60/85/79/648608579.db2.gz NGOWYCKGIZNDHH-ZDUSSCGKSA-N 1 0 378.274 2.285 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000424195378 648615885 /nfs/dbraw/zinc/61/58/85/648615885.db2.gz CTXDHBIGHZGTPS-UHFFFAOYSA-N 1 0 391.331 2.247 20 0 GEADRO C[C@H]1CC2(CN1C(=O)CN(C)C(=O)c1ccc(Br)o1)CC[NH2+]CC2 ZINC000424239836 648621609 /nfs/dbraw/zinc/62/16/09/648621609.db2.gz OLCJTNVMCZBNDP-LBPRGKRZSA-N 1 0 398.301 2.105 20 0 GEADRO CC[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000424301410 648622793 /nfs/dbraw/zinc/62/27/93/648622793.db2.gz ZVUPNNUROQQAPB-AWEZNQCLSA-N 1 0 396.962 2.114 20 0 GEADRO Cc1cc(C[NH3+])cc(NC(=O)NCc2nn(C)cc2I)c1 ZINC000424412699 648627812 /nfs/dbraw/zinc/62/78/12/648627812.db2.gz BFOBBZNURNQHLI-UHFFFAOYSA-N 1 0 399.236 2.114 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cc(Cl)cc(I)c2)CC[NH2+]1 ZINC000424467332 648629393 /nfs/dbraw/zinc/62/93/93/648629393.db2.gz MQAHCAOPGQYMAQ-SECBINFHSA-N 1 0 393.656 2.448 20 0 GEADRO C[NH+](C)CCCNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000424533329 648633475 /nfs/dbraw/zinc/63/34/75/648633475.db2.gz YMPJOCYIPKNUNL-UHFFFAOYSA-N 1 0 391.331 2.071 20 0 GEADRO C[NH+](C)C1(CNC(=O)Cc2noc3ccc(Br)cc32)CCOCC1 ZINC000424660946 648637252 /nfs/dbraw/zinc/63/72/52/648637252.db2.gz DMXYPTJOTRCLPU-UHFFFAOYSA-N 1 0 396.285 2.360 20 0 GEADRO COc1ncc(C(=O)NCC2(SC)CC[NH+](C)CC2)cc1Br ZINC000424829379 648650774 /nfs/dbraw/zinc/65/07/74/648650774.db2.gz OORNVVMAJUPAJS-UHFFFAOYSA-N 1 0 388.331 2.410 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc21)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000424860701 648653941 /nfs/dbraw/zinc/65/39/41/648653941.db2.gz FFFJBDGNFOVWQP-CYBMUJFWSA-N 1 0 396.285 2.096 20 0 GEADRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)C(C)C ZINC000425432820 648677139 /nfs/dbraw/zinc/67/71/39/648677139.db2.gz LUODRFVDFLMEFY-MRXNPFEDSA-N 1 0 376.544 2.456 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](CC2(O)CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000425523455 648684491 /nfs/dbraw/zinc/68/44/91/648684491.db2.gz YSPQCGYJKCEWTJ-JKSUJKDBSA-N 1 0 398.297 2.179 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1Br ZINC000425814820 648698257 /nfs/dbraw/zinc/69/82/57/648698257.db2.gz CAIVTNPCYUQYMS-GXTWGEPZSA-N 1 0 380.286 2.249 20 0 GEADRO CC[N@H+](CCNC(=O)N1CCC(O)(C(F)(F)F)CC1)CCC(F)(F)F ZINC000425974888 648702009 /nfs/dbraw/zinc/70/20/09/648702009.db2.gz CTQQCDFFSYUVLV-UHFFFAOYSA-N 1 0 379.345 2.360 20 0 GEADRO COC(=O)CC1([NH2+]Cc2cnc(-c3ccco3)s2)CCS(=O)(=O)CC1 ZINC000425988787 648702543 /nfs/dbraw/zinc/70/25/43/648702543.db2.gz PECATSNFZBAMOL-UHFFFAOYSA-N 1 0 384.479 2.003 20 0 GEADRO C[NH+](C)CCCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000426851844 648716149 /nfs/dbraw/zinc/71/61/49/648716149.db2.gz UKIYQDORSGBGRB-INIZCTEOSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000429023338 648743021 /nfs/dbraw/zinc/74/30/21/648743021.db2.gz FAOCECDSZJBFCW-NSHDSACASA-N 1 0 388.331 2.364 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000429024631 648743276 /nfs/dbraw/zinc/74/32/76/648743276.db2.gz WPVRFQIMUHFCOV-HZMBPMFUSA-N 1 0 380.279 2.036 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C[C@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022484 648743291 /nfs/dbraw/zinc/74/32/91/648743291.db2.gz SLJVWSHGAAKZPE-DOTOQJQBSA-N 1 0 387.293 2.356 20 0 GEADRO CCC[N@@H+](CC(N)=O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000429118129 648745267 /nfs/dbraw/zinc/74/52/67/648745267.db2.gz RPYJYPUQCJXIOY-NSHDSACASA-N 1 0 379.682 2.040 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000429238755 648747731 /nfs/dbraw/zinc/74/77/31/648747731.db2.gz OHXFVVNHARIXEN-INIZCTEOSA-N 1 0 383.290 2.204 20 0 GEADRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429292067 648749900 /nfs/dbraw/zinc/74/99/00/648749900.db2.gz HWBGLJKTHJCKMR-ZUZCIYMTSA-N 1 0 383.286 2.340 20 0 GEADRO COCC[C@]1(C(=O)N(C)Cc2cc(Br)ccc2OC)CC[NH2+]C1 ZINC000429735654 648751565 /nfs/dbraw/zinc/75/15/65/648751565.db2.gz MMXMATJFERROFM-QGZVFWFLSA-N 1 0 385.302 2.432 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1c(Cl)cnn1C ZINC000429856437 648755040 /nfs/dbraw/zinc/75/50/40/648755040.db2.gz BGCUHFULLWXFQF-UHFFFAOYSA-N 1 0 390.859 2.358 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000430553900 648763503 /nfs/dbraw/zinc/76/35/03/648763503.db2.gz DYWPXSWOPBCNGX-UHFFFAOYSA-N 1 0 391.317 2.389 20 0 GEADRO C[C@H]1CCCN(CC(=O)Nc2ccc(I)cc2)[C@@H]1C[NH3+] ZINC000430545739 648763559 /nfs/dbraw/zinc/76/35/59/648763559.db2.gz QSWAIGHUWOSLDC-SMDDNHRTSA-N 1 0 387.265 2.289 20 0 GEADRO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430730107 648767123 /nfs/dbraw/zinc/76/71/23/648767123.db2.gz IFEVTIYXUKFPGS-LLVKDONJSA-N 1 0 391.331 2.300 20 0 GEADRO C[NH2+]C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000430923376 648769978 /nfs/dbraw/zinc/76/99/78/648769978.db2.gz DIPVOTLIFVHYLB-NWDGAFQWSA-N 1 0 387.265 2.160 20 0 GEADRO C[NH2+]C1CCN([C@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000430954932 648770865 /nfs/dbraw/zinc/77/08/65/648770865.db2.gz KOJFQWYHTCWQDS-LLVKDONJSA-N 1 0 387.265 2.302 20 0 GEADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2cc(Cl)ccc2F)CCCO1 ZINC000432292695 648775298 /nfs/dbraw/zinc/77/52/98/648775298.db2.gz YABMQDGXWCQGDF-ZDUSSCGKSA-N 1 0 378.897 2.399 20 0 GEADRO COc1ccccc1CCNC(=O)C[NH2+]Cc1cncc(Br)c1 ZINC000435733070 648786565 /nfs/dbraw/zinc/78/65/65/648786565.db2.gz ADNNKBITTBFRIJ-UHFFFAOYSA-N 1 0 378.270 2.301 20 0 GEADRO C[C@H]1CN(C(=O)NCc2csc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000435795667 648787922 /nfs/dbraw/zinc/78/79/22/648787922.db2.gz DZNCBSJXUKPESU-NSHDSACASA-N 1 0 390.347 2.497 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1csc(Br)c1 ZINC000435809551 648788448 /nfs/dbraw/zinc/78/84/48/648788448.db2.gz PPRBPFRXGYMWFT-NSHDSACASA-N 1 0 390.347 2.497 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(I)ccc1O ZINC000436773656 648793283 /nfs/dbraw/zinc/79/32/83/648793283.db2.gz PWYJXXFJQIHDCP-TVQRCGJNSA-N 1 0 386.233 2.209 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(I)ccc1O ZINC000436773571 648793536 /nfs/dbraw/zinc/79/35/36/648793536.db2.gz PWYJXXFJQIHDCP-RNCFNFMXSA-N 1 0 386.233 2.209 20 0 GEADRO CC(C)[NH+]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438842219 648806482 /nfs/dbraw/zinc/80/64/82/648806482.db2.gz RFDJPANJRQAXAT-HNNXBMFYSA-N 1 0 375.282 2.354 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000440757015 648812448 /nfs/dbraw/zinc/81/24/48/648812448.db2.gz RZABGKVZUMQOPV-NFAWXSAZSA-N 1 0 388.917 2.113 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000440757025 648812462 /nfs/dbraw/zinc/81/24/62/648812462.db2.gz RZABGKVZUMQOPV-VNHYZAJKSA-N 1 0 388.917 2.113 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000440766765 648812779 /nfs/dbraw/zinc/81/27/79/648812779.db2.gz ZAQWRYTWCQVXEO-UHFFFAOYSA-N 1 0 376.906 2.115 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000440806907 648814134 /nfs/dbraw/zinc/81/41/34/648814134.db2.gz TVLFJFQUVGFANN-ZYHUDNBSSA-N 1 0 377.304 2.042 20 0 GEADRO Cc1nc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)sc1C ZINC000440805209 648814140 /nfs/dbraw/zinc/81/41/40/648814140.db2.gz DRPGANIOERSERY-SWLSCSKDSA-N 1 0 387.477 2.462 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000440819805 648814534 /nfs/dbraw/zinc/81/45/34/648814534.db2.gz XFHYKBQGWMBFSL-CHWSQXEVSA-N 1 0 376.906 2.126 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000440831365 648815123 /nfs/dbraw/zinc/81/51/23/648815123.db2.gz FKGMMMLGLKYMKR-UHFFFAOYSA-N 1 0 390.933 2.423 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000440837623 648816013 /nfs/dbraw/zinc/81/60/13/648816013.db2.gz ZOODBHGFJUVRHM-MJBXVCDLSA-N 1 0 388.917 2.113 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@H](C[NH3+])C1 ZINC000440849421 648816900 /nfs/dbraw/zinc/81/69/00/648816900.db2.gz RJIUFPVDLHWSGI-VHSXEESVSA-N 1 0 397.722 2.229 20 0 GEADRO COCc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000442130331 648838883 /nfs/dbraw/zinc/83/88/83/648838883.db2.gz IZNWKEIHDYAKSJ-VXGBXAGGSA-N 1 0 398.301 2.133 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000442143836 648839295 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C[C@H]1[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCC[N@@H+]1C ZINC000443700612 648884707 /nfs/dbraw/zinc/88/47/07/648884707.db2.gz TYPAWOXTPLJZOE-KWQFWETISA-N 1 0 390.228 2.265 20 0 GEADRO O[C@H](C[NH2+]Cc1cnc(C(F)(F)F)s1)COc1ccc2c(c1)OCO2 ZINC000443985122 648894592 /nfs/dbraw/zinc/89/45/92/648894592.db2.gz YLQFZYFOYYXFJI-SECBINFHSA-N 1 0 376.356 2.420 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000548369402 651077776 /nfs/dbraw/zinc/07/77/76/651077776.db2.gz UGDCVGRGIMAQKL-NSHDSACASA-N 1 0 377.304 2.220 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H](C)Cc2ccsc2)CC1 ZINC000548501798 651078953 /nfs/dbraw/zinc/07/89/53/651078953.db2.gz DYMPAHZTHMYUAE-LBPRGKRZSA-N 1 0 382.555 2.462 20 0 GEADRO Nc1nc(-n2cccn2)cc(N2CCOc3ccc(Br)cc3C2)[nH+]1 ZINC000548987065 651090864 /nfs/dbraw/zinc/09/08/64/651090864.db2.gz HSPAAYYFYQDFAD-UHFFFAOYSA-N 1 0 387.241 2.406 20 0 GEADRO O=S(=O)(NCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(F)cc1Cl ZINC000549039200 651091778 /nfs/dbraw/zinc/09/17/78/651091778.db2.gz FRILSGKILKRVCS-DAXOMENPSA-N 1 0 388.892 2.305 20 0 GEADRO CC[N@H+](CCC1CCN(c2nc(C)c(S(N)(=O)=O)s2)CC1)CC1CC1 ZINC000549262031 651094271 /nfs/dbraw/zinc/09/42/71/651094271.db2.gz WWIWLNNAOSCJDQ-UHFFFAOYSA-N 1 0 386.587 2.437 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)C[C@@H](C)COC2CCCC2)C[C@H]1[NH+]1CCCC1 ZINC000549804928 651100993 /nfs/dbraw/zinc/10/09/93/651100993.db2.gz CBLQNVOXTJUUIW-CGTJXYLNSA-N 1 0 390.615 2.423 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000550349166 651109627 /nfs/dbraw/zinc/10/96/27/651109627.db2.gz CYOVRRXIDIDKJF-DOMZBBRYSA-N 1 0 382.302 2.179 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)NCc2sccc2Br)CC1 ZINC000550493374 651112193 /nfs/dbraw/zinc/11/21/93/651112193.db2.gz HKPOXYBPCKTFGM-UHFFFAOYSA-N 1 0 388.331 2.117 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000550570439 651112797 /nfs/dbraw/zinc/11/27/97/651112797.db2.gz ZTMPLGFYSCGQKD-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(Br)cc1 ZINC000550654666 651113499 /nfs/dbraw/zinc/11/34/99/651113499.db2.gz YLOLCCAWUFKFAJ-UONOGXRCSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)C1CCN(CC(F)(F)F)CC1 ZINC000550703741 651114199 /nfs/dbraw/zinc/11/41/99/651114199.db2.gz CFUIDPRZRYDLAL-PWSUYJOCSA-N 1 0 375.357 2.402 20 0 GEADRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ncc(Br)cn1 ZINC000550830812 651115752 /nfs/dbraw/zinc/11/57/52/651115752.db2.gz IEOBCJQNYJZFLO-XSRFYTQQSA-N 1 0 376.320 2.493 20 0 GEADRO C[N@@H+]1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@@H](c2ccccc2)C1 ZINC000551096177 651118023 /nfs/dbraw/zinc/11/80/23/651118023.db2.gz TZOZZFOKPQXTAZ-GOSISDBHSA-N 1 0 379.913 2.476 20 0 GEADRO O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)NCCc1cccc(Cl)c1Cl ZINC000551422119 651124474 /nfs/dbraw/zinc/12/44/74/651124474.db2.gz WHSJKBNNWWNQBV-KDOFPFPSSA-N 1 0 384.307 2.299 20 0 GEADRO O=C1CC[C@@H]([NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](C2CC2)N1 ZINC000551720249 651130604 /nfs/dbraw/zinc/13/06/04/651130604.db2.gz QUMSPEAHMVYPDB-CZUORRHYSA-N 1 0 391.320 2.414 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000551725772 651130710 /nfs/dbraw/zinc/13/07/10/651130710.db2.gz VKJWCQAKJPAGIP-SNVBAGLBSA-N 1 0 378.420 2.337 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C[C@H]2CCCOC2)c1 ZINC000552021898 651138211 /nfs/dbraw/zinc/13/82/11/651138211.db2.gz YMCRPGDVEUQGCB-CYBMUJFWSA-N 1 0 391.331 2.052 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000552100442 651140279 /nfs/dbraw/zinc/14/02/79/651140279.db2.gz IWKRAKUGETWKTL-LBPRGKRZSA-N 1 0 391.269 2.310 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC000552243616 651144668 /nfs/dbraw/zinc/14/46/68/651144668.db2.gz HBEDTOWAHZDKLI-MGPQQGTHSA-N 1 0 384.464 2.265 20 0 GEADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cnn(CC(F)F)c2)CC1 ZINC000552256451 651145066 /nfs/dbraw/zinc/14/50/66/651145066.db2.gz LRUUOEKKTGENLI-CYBMUJFWSA-N 1 0 378.489 2.030 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)NCCc1ccc(F)c(Br)c1 ZINC000552321746 651146687 /nfs/dbraw/zinc/14/66/87/651146687.db2.gz GAPIABMCFKQZBK-UHFFFAOYSA-N 1 0 381.249 2.359 20 0 GEADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552324518 651146696 /nfs/dbraw/zinc/14/66/96/651146696.db2.gz BEXHTEUPEQSPFX-BXUZGUMPSA-N 1 0 392.352 2.344 20 0 GEADRO Oc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1Br ZINC000552487663 651150494 /nfs/dbraw/zinc/15/04/94/651150494.db2.gz RNCVUMLUZFZCDG-GFCCVEGCSA-N 1 0 396.237 2.413 20 0 GEADRO C[C@H](CNC(=O)c1[nH]nc2ccc(I)cc21)C[NH+](C)C ZINC000552577783 651152960 /nfs/dbraw/zinc/15/29/60/651152960.db2.gz ZOOGYTUVAXIJHW-SECBINFHSA-N 1 0 386.237 2.095 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000552600019 651153392 /nfs/dbraw/zinc/15/33/92/651153392.db2.gz BNROJZUWNDEWOK-INIZCTEOSA-N 1 0 381.885 2.020 20 0 GEADRO CS[C@@H]1CN(C(=O)CSCC(=O)N(C)C2CCCCC2)C[C@@H]1[NH+](C)C ZINC000552876454 651159800 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C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)CN1CCOCC1 ZINC000644572223 651555567 /nfs/dbraw/zinc/55/55/67/651555567.db2.gz VJJKAECBRHWKRH-KGLIPLIRSA-N 1 0 377.312 2.291 20 0 GEADRO CS(=O)(=O)C1CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000644574053 651555867 /nfs/dbraw/zinc/55/58/67/651555867.db2.gz PYMHWHUIYURZIT-AQFXKWCLSA-N 1 0 375.918 2.163 20 0 GEADRO CNC(=O)COc1cccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)c1 ZINC000728941150 651556053 /nfs/dbraw/zinc/55/60/53/651556053.db2.gz FSXSZXOPQTUUJC-KRWDZBQOSA-N 1 0 393.281 2.397 20 0 GEADRO COC1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCOCC1 ZINC000644604384 651557181 /nfs/dbraw/zinc/55/71/81/651557181.db2.gz WSTLYYVGJPEOCU-AWEZNQCLSA-N 1 0 392.265 2.113 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2noc3ccc(Br)cc23)C1 ZINC000644628032 651559040 /nfs/dbraw/zinc/55/90/40/651559040.db2.gz HDPXIZVFBVOZOA-CYBMUJFWSA-N 1 0 396.285 2.360 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2noc3ccc(Br)cc23)C1 ZINC000644628033 651559128 /nfs/dbraw/zinc/55/91/28/651559128.db2.gz 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651729728 /nfs/dbraw/zinc/72/97/28/651729728.db2.gz XXGIXOMJPOPIKL-DGCLKSJQSA-N 1 0 377.897 2.447 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000569869050 651730187 /nfs/dbraw/zinc/73/01/87/651730187.db2.gz MVCUOYMZXMRNAW-LBPRGKRZSA-N 1 0 388.306 2.351 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC000646967032 651731074 /nfs/dbraw/zinc/73/10/74/651731074.db2.gz PTRQIEGHTWBLQY-VBNZEHGJSA-N 1 0 382.913 2.232 20 0 GEADRO CCCN(C(=O)C(=O)NCc1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000646978313 651731268 /nfs/dbraw/zinc/73/12/68/651731268.db2.gz YQYPXRXGYGWBGZ-OAHLLOKOSA-N 1 0 382.302 2.008 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000733981584 651732140 /nfs/dbraw/zinc/73/21/40/651732140.db2.gz VEHWSFXLEMRUEB-GFCCVEGCSA-N 1 0 378.274 2.054 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccn(-c2cccc(Br)c2)n1 ZINC000647076156 651733195 /nfs/dbraw/zinc/73/31/95/651733195.db2.gz UVUPLNFAQNKDPT-CYBMUJFWSA-N 1 0 385.212 2.362 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)NC[C@H]3CCC[NH2+]C3)cc21 ZINC000647200060 651735222 /nfs/dbraw/zinc/73/52/22/651735222.db2.gz GQZITZIRKHZJDD-NSHDSACASA-N 1 0 386.315 2.219 20 0 GEADRO O=S(=O)(NC[C@H]1CCCC[NH2+]1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000647201511 651735312 /nfs/dbraw/zinc/73/53/12/651735312.db2.gz QIBBBDUUSDIWDS-UKRRQHHQSA-N 1 0 388.917 2.176 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000647190595 651735335 /nfs/dbraw/zinc/73/53/35/651735335.db2.gz GENYHMKBBDTVDU-UHFFFAOYSA-N 1 0 389.315 2.363 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000647201587 651735962 /nfs/dbraw/zinc/73/59/62/651735962.db2.gz UTIVEEVMPWVQBG-CQSZACIVSA-N 1 0 376.906 2.176 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000647227266 651737723 /nfs/dbraw/zinc/73/77/23/651737723.db2.gz ZOVWEWFLMDJSMH-ZDUSSCGKSA-N 1 0 383.297 2.034 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(OC)c2)CC[C@H]1[NH3+] ZINC000647269530 651738372 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C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647287056 651741718 /nfs/dbraw/zinc/74/17/18/651741718.db2.gz HYVZECGGQFAAAP-WDEREUQCSA-N 1 0 386.315 2.312 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000647293482 651742279 /nfs/dbraw/zinc/74/22/79/651742279.db2.gz KCLNWTFCEFNILI-IUCAKERBSA-N 1 0 385.686 2.423 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000647292091 651742287 /nfs/dbraw/zinc/74/22/87/651742287.db2.gz OWWGLYPKDXZFOU-OAHLLOKOSA-N 1 0 389.315 2.222 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c(F)cc1Br ZINC000647304077 651742782 /nfs/dbraw/zinc/74/27/82/651742782.db2.gz VVZTWHDFLCLWEG-ZDUSSCGKSA-N 1 0 377.279 2.317 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc21 ZINC000647304771 651742810 /nfs/dbraw/zinc/74/28/10/651742810.db2.gz FEEWCAZXTJXOML-ABAIWWIYSA-N 1 0 398.326 2.313 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H]3CCCC[NH2+]C3)cc21 ZINC000647324457 651743886 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C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000612302811 651751547 /nfs/dbraw/zinc/75/15/47/651751547.db2.gz ATHLVIOBNBRZSK-OQPBUACISA-N 1 0 379.258 2.244 20 0 GEADRO CN(c1nnc(-c2cc(Br)cn2C)n1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570204476 651752843 /nfs/dbraw/zinc/75/28/43/651752843.db2.gz QDZIIHDAKDVLTO-CYBMUJFWSA-N 1 0 379.306 2.256 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000647677950 651754096 /nfs/dbraw/zinc/75/40/96/651754096.db2.gz IYQROLSWFMWTJL-ZFWWWQNUSA-N 1 0 398.320 2.273 20 0 GEADRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000570282789 651758034 /nfs/dbraw/zinc/75/80/34/651758034.db2.gz DWPPXJMROBIKNM-OAHLLOKOSA-N 1 0 384.318 2.275 20 0 GEADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc2c(cncc2Br)s1 ZINC000647779168 651758988 /nfs/dbraw/zinc/75/89/88/651758988.db2.gz STTRWVUMJRENJC-UHFFFAOYSA-N 1 0 383.315 2.036 20 0 GEADRO Brc1ccccc1-n1nnnc1CN(C1CC1)C1CC[NH2+]CC1 ZINC000647815150 651760722 /nfs/dbraw/zinc/76/07/22/651760722.db2.gz RFQZIGMIHBAXBI-UHFFFAOYSA-N 1 0 377.290 2.141 20 0 GEADRO O=C(CCNC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000570332174 651760913 /nfs/dbraw/zinc/76/09/13/651760913.db2.gz KETTVMAVAVSCRK-MRXNPFEDSA-N 1 0 384.318 2.214 20 0 GEADRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N(C)CCN1CC[NH2+]CC1 ZINC000647835383 651761873 /nfs/dbraw/zinc/76/18/73/651761873.db2.gz WNTRSKYVOVXKRM-UONOGXRCSA-N 1 0 387.355 2.396 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647869535 651763712 /nfs/dbraw/zinc/76/37/12/651763712.db2.gz NPLBJTFBJSRSPX-UHFFFAOYSA-N 1 0 385.961 2.426 20 0 GEADRO Cc1sc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1CS(C)(=O)=O ZINC000570396427 651764804 /nfs/dbraw/zinc/76/48/04/651764804.db2.gz POXGEWXJONKUNQ-INIZCTEOSA-N 1 0 384.567 2.451 20 0 GEADRO Cc1nnc2n1C[C@@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000570421985 651766555 /nfs/dbraw/zinc/76/65/55/651766555.db2.gz GBMZNLUEBUOHQD-CHWSQXEVSA-N 1 0 385.295 2.485 20 0 GEADRO C[C@@H](NC(=O)CN1CC[NH2+]C[C@H]1C(F)F)c1ccc(Br)cc1 ZINC000647968323 651767760 /nfs/dbraw/zinc/76/77/60/651767760.db2.gz GOSYGGKYICDBMT-MFKMUULPSA-N 1 0 376.245 2.165 20 0 GEADRO CC(C)(NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000647994194 651769104 /nfs/dbraw/zinc/76/91/04/651769104.db2.gz VQFYHOQHEQXTAH-CQSZACIVSA-N 1 0 382.302 2.059 20 0 GEADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@@H](C)C1 ZINC000570500439 651771062 /nfs/dbraw/zinc/77/10/62/651771062.db2.gz LICKACUHYMBATP-GZBFAFLISA-N 1 0 385.555 2.023 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648041287 651771058 /nfs/dbraw/zinc/77/10/58/651771058.db2.gz ODIVEXKAYWFNHP-LSDHHAIUSA-N 1 0 393.329 2.437 20 0 GEADRO O=C(NCc1ccc(Br)cc1C(F)(F)F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000570501154 651771171 /nfs/dbraw/zinc/77/11/71/651771171.db2.gz KGBCJLXLLBGAHG-IAZYJMLFSA-N 1 0 378.192 2.485 20 0 GEADRO C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000648102198 651773735 /nfs/dbraw/zinc/77/37/35/651773735.db2.gz CSKRRLSUUYHWDY-PMEZXALUSA-N 1 0 377.242 2.427 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000648188285 651775766 /nfs/dbraw/zinc/77/57/66/651775766.db2.gz BVVXIZUDNQCBBX-HUBLWGQQSA-N 1 0 384.318 2.446 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000570576479 651776053 /nfs/dbraw/zinc/77/60/53/651776053.db2.gz DNBKULIXZJJYSS-GFCCVEGCSA-N 1 0 380.436 2.465 20 0 GEADRO COCCOC[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1I ZINC000570676092 651782675 /nfs/dbraw/zinc/78/26/75/651782675.db2.gz JEDKZZQTPADAPR-LBPRGKRZSA-N 1 0 399.656 2.058 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(Br)cc4c3OCCO4)[C@H]2C1 ZINC000613328139 651782784 /nfs/dbraw/zinc/78/27/84/651782784.db2.gz JUTLVNRFQLNXSL-FZMZJTMJSA-N 1 0 381.270 2.387 20 0 GEADRO C[C@H](CC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)n1cc(Br)cn1 ZINC000648373567 651785033 /nfs/dbraw/zinc/78/50/33/651785033.db2.gz OHOSSVJQDSQAIW-ZIAGYGMSSA-N 1 0 399.333 2.308 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000570721729 651786738 /nfs/dbraw/zinc/78/67/38/651786738.db2.gz ATHBBQYBWGVDKS-CXAGYDPISA-N 1 0 386.309 2.429 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(F)c(Br)c(Cl)c1 ZINC000570738673 651787736 /nfs/dbraw/zinc/78/77/36/651787736.db2.gz JVUKWALAAHTGJS-HNNXBMFYSA-N 1 0 391.668 2.428 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000648710025 651795852 /nfs/dbraw/zinc/79/58/52/651795852.db2.gz LNBWLEUUCRLEMI-HNNXBMFYSA-N 1 0 380.432 2.143 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCc3sc(Cl)cc32)C1 ZINC000570868719 651796634 /nfs/dbraw/zinc/79/66/34/651796634.db2.gz YXIMKRFVVSJSKS-YPMHNXCESA-N 1 0 384.933 2.275 20 0 GEADRO COc1ccc(CCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(Br)c1 ZINC000613777851 651796789 /nfs/dbraw/zinc/79/67/89/651796789.db2.gz QHJKBGXVWNWAIL-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000570939285 651801103 /nfs/dbraw/zinc/80/11/03/651801103.db2.gz YPRBWXTWLOKAGG-NHYWBVRUSA-N 1 0 385.295 2.398 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000570975296 651803353 /nfs/dbraw/zinc/80/33/53/651803353.db2.gz CNLCKRCUUICZEK-UHFFFAOYSA-N 1 0 398.301 2.374 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000648790281 651803682 /nfs/dbraw/zinc/80/36/82/651803682.db2.gz GJBLTSFUMFUGDP-UHFFFAOYSA-N 1 0 396.340 2.072 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000648803788 651804905 /nfs/dbraw/zinc/80/49/05/651804905.db2.gz HEJJWNXREGPGST-UHFFFAOYSA-N 1 0 384.299 2.245 20 0 GEADRO CCCN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@H]1CC[N@H+](C)C1 ZINC000648997861 651810245 /nfs/dbraw/zinc/81/02/45/651810245.db2.gz YZPXDFZAESRHSP-NSHDSACASA-N 1 0 396.285 2.336 20 0 GEADRO CCCN(C(=O)CN(C)C(=O)c1ccc(Br)o1)[C@H]1CC[N@H+](C)C1 ZINC000649000794 651810270 /nfs/dbraw/zinc/81/02/70/651810270.db2.gz CENVHGIZQZBNIJ-LBPRGKRZSA-N 1 0 386.290 2.057 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2noc3ccc(Br)cc23)C1 ZINC000614072050 651811703 /nfs/dbraw/zinc/81/17/03/651811703.db2.gz YGPOIDWJXMCRSV-KRWDZBQOSA-N 1 0 396.285 2.048 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000614131198 651812837 /nfs/dbraw/zinc/81/28/37/651812837.db2.gz CQFBOVKVTVKKPN-GFCCVEGCSA-N 1 0 382.302 2.478 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)c1ccccc1Br ZINC000649070583 651813731 /nfs/dbraw/zinc/81/37/31/651813731.db2.gz RBMFBSRACZPVDA-CYBMUJFWSA-N 1 0 396.329 2.305 20 0 GEADRO C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1cccc(Br)c1 ZINC000649070665 651813999 /nfs/dbraw/zinc/81/39/99/651813999.db2.gz SIPCIXMVJOCNMC-QWHCGFSZSA-N 1 0 382.302 2.131 20 0 GEADRO CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000571157640 651814415 /nfs/dbraw/zinc/81/44/15/651814415.db2.gz USOMFPROVJTCKH-HNNXBMFYSA-N 1 0 394.313 2.264 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(Br)cc1Cl ZINC000649077607 651814964 /nfs/dbraw/zinc/81/49/64/651814964.db2.gz VYMOYURBDLTZCI-SNVBAGLBSA-N 1 0 388.693 2.295 20 0 GEADRO C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccc(Br)s1 ZINC000649074589 651814991 /nfs/dbraw/zinc/81/49/91/651814991.db2.gz LZHHXLFJUAOISQ-QWRGUYRKSA-N 1 0 388.331 2.193 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1[nH]c2ccccc2c1Br ZINC000649077734 651815658 /nfs/dbraw/zinc/81/56/58/651815658.db2.gz YHQGXTZINDTDLA-LLVKDONJSA-N 1 0 393.285 2.122 20 0 GEADRO COc1ccc(Br)cc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649132103 651816976 /nfs/dbraw/zinc/81/69/76/651816976.db2.gz MNNKZHJEXLKQBH-UHFFFAOYSA-N 1 0 383.286 2.395 20 0 GEADRO O=C(Cc1cc[nH]c(=O)c1Br)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571248106 651820193 /nfs/dbraw/zinc/82/01/93/651820193.db2.gz GZHAJFHWKDXMOG-OAHLLOKOSA-N 1 0 390.281 2.483 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1ccc2[nH]cnc2c1)c1ccc(Cl)cc1F ZINC000571267297 651821500 /nfs/dbraw/zinc/82/15/00/651821500.db2.gz PGHFGSRPFSJCLM-UHFFFAOYSA-N 1 0 382.848 2.424 20 0 GEADRO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000736453832 651822346 /nfs/dbraw/zinc/82/23/46/651822346.db2.gz LASYBIMFVVMNKF-ITNZAGEZSA-N 1 0 379.595 2.367 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649319998 651822598 /nfs/dbraw/zinc/82/25/98/651822598.db2.gz HOXYMTSTGOVYQH-OCCSQVGLSA-N 1 0 388.256 2.389 20 0 GEADRO CCC[NH2+]CCNS(=O)(=O)c1cnc2sc(C(=O)OCC)c(C)c2c1 ZINC000571284347 651823295 /nfs/dbraw/zinc/82/32/95/651823295.db2.gz SGGPGUIRBQCGGF-UHFFFAOYSA-N 1 0 385.511 2.059 20 0 GEADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000571285947 651823299 /nfs/dbraw/zinc/82/32/99/651823299.db2.gz PHLZYCSDGJZORC-HNNXBMFYSA-N 1 0 396.340 2.151 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 ZINC000571290343 651823798 /nfs/dbraw/zinc/82/37/98/651823798.db2.gz CSXRYASTXFHCIT-UHFFFAOYSA-N 1 0 382.404 2.288 20 0 GEADRO CS[C@@H]1CN(C(=O)CCn2cc(Br)cn2)C[C@H]1[NH+]1CCCC1 ZINC000614460213 651828714 /nfs/dbraw/zinc/82/87/14/651828714.db2.gz YFGJZBUBGZHVNA-ZIAGYGMSSA-N 1 0 387.347 2.074 20 0 GEADRO O=S(=O)(NC1CC1)c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000649586945 651831488 /nfs/dbraw/zinc/83/14/88/651831488.db2.gz VALCCJQLOWXNOR-UHFFFAOYSA-N 1 0 382.551 2.225 20 0 GEADRO O=C1CC[C@@H](C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)N1 ZINC000649596515 651831562 /nfs/dbraw/zinc/83/15/62/651831562.db2.gz ZGJJWMHCWGTQRA-JOYOIKCWSA-N 1 0 381.192 2.370 20 0 GEADRO O=C1CC[C@@H](C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)N1 ZINC000649596514 651831743 /nfs/dbraw/zinc/83/17/43/651831743.db2.gz ZGJJWMHCWGTQRA-CABZTGNLSA-N 1 0 381.192 2.370 20 0 GEADRO Cc1cc(C[N@H+](C[C@@H](O)CC(F)(F)F)C2CC2)cc(S(N)(=O)=O)c1C ZINC000649745286 651833887 /nfs/dbraw/zinc/83/38/87/651833887.db2.gz ICLXNIRKZMYELM-AWEZNQCLSA-N 1 0 380.432 2.229 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)COc1ccc(I)cc1 ZINC000614711731 651834584 /nfs/dbraw/zinc/83/45/84/651834584.db2.gz NZQRHQJBZGAQBP-ZIAGYGMSSA-N 1 0 388.249 2.269 20 0 GEADRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000649763925 651834856 /nfs/dbraw/zinc/83/48/56/651834856.db2.gz KFTZKYWEWBVLMC-HZPDHXFCSA-N 1 0 378.270 2.488 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C(F)F ZINC000571523318 651837556 /nfs/dbraw/zinc/83/75/56/651837556.db2.gz VDEKKHUGBBYPBT-JTQLQIEISA-N 1 0 379.860 2.352 20 0 GEADRO C[C@H](C(=O)NCc1ccc(I)c(Cl)c1)C1C[NH2+]C1 ZINC000571520373 651837603 /nfs/dbraw/zinc/83/76/03/651837603.db2.gz TVRQFSPUCLXXBY-QMMMGPOBSA-N 1 0 378.641 2.416 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000571552355 651839605 /nfs/dbraw/zinc/83/96/05/651839605.db2.gz JXCINCVJFFDYMW-KRWDZBQOSA-N 1 0 387.929 2.337 20 0 GEADRO CSCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000737233149 651844064 /nfs/dbraw/zinc/84/40/64/651844064.db2.gz KFLNCQZTRCTMMU-CQSZACIVSA-N 1 0 381.567 2.432 20 0 GEADRO O=C(C[C@H]1COCC[NH2+]1)NCc1ccc(Br)cc1C(F)(F)F ZINC000571633925 651844789 /nfs/dbraw/zinc/84/47/89/651844789.db2.gz GLVBRQJLEINQAW-NSHDSACASA-N 1 0 381.192 2.463 20 0 GEADRO CS(=O)(=O)c1ccc(OCC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000571634599 651844970 /nfs/dbraw/zinc/84/49/70/651844970.db2.gz XBCGHZYHSLTHQY-MRXNPFEDSA-N 1 0 383.897 2.316 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000571643990 651845390 /nfs/dbraw/zinc/84/53/90/651845390.db2.gz JBSNXKNTYHBDKX-OLZOCXBDSA-N 1 0 381.523 2.082 20 0 GEADRO O=S1(=O)CCC(CC[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000571671087 651847357 /nfs/dbraw/zinc/84/73/57/651847357.db2.gz QTZWFJZDQPUWDY-OAHLLOKOSA-N 1 0 379.444 2.413 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000571742095 651850756 /nfs/dbraw/zinc/85/07/56/651850756.db2.gz GYEHGGDHDCBDAQ-NHYWBVRUSA-N 1 0 392.297 2.475 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)CC(F)(F)F)s1 ZINC000571754111 651851296 /nfs/dbraw/zinc/85/12/96/651851296.db2.gz HPNPPQGBFORUCC-LLVKDONJSA-N 1 0 388.477 2.224 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cc(Br)cnc1-n1cccn1 ZINC000571771268 651853118 /nfs/dbraw/zinc/85/31/18/651853118.db2.gz AAWAYBJCPGYBSK-GFCCVEGCSA-N 1 0 379.262 2.293 20 0 GEADRO CN(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000650278158 651853413 /nfs/dbraw/zinc/85/34/13/651853413.db2.gz PWEYVBAOVFWRSG-CHWSQXEVSA-N 1 0 390.311 2.469 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000571778409 651853464 /nfs/dbraw/zinc/85/34/64/651853464.db2.gz KOFBJHJVFWMALX-AWEZNQCLSA-N 1 0 395.294 2.265 20 0 GEADRO CN(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000650278159 651853596 /nfs/dbraw/zinc/85/35/96/651853596.db2.gz PWEYVBAOVFWRSG-OLZOCXBDSA-N 1 0 390.311 2.469 20 0 GEADRO Cn1cc(Br)c(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000571776301 651853664 /nfs/dbraw/zinc/85/36/64/651853664.db2.gz XPXKTFMXMVSMEG-CQSZACIVSA-N 1 0 377.286 2.321 20 0 GEADRO CS(=O)(=O)CCCC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000650296967 651854525 /nfs/dbraw/zinc/85/45/25/651854525.db2.gz BGFVJUNVGSAYKC-JKSUJKDBSA-N 1 0 378.460 2.431 20 0 GEADRO COC(=O)[C@](C)(NC[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000571809736 651855636 /nfs/dbraw/zinc/85/56/36/651855636.db2.gz YYUCOWKESHUNLX-SUMWQHHRSA-N 1 0 375.296 2.426 20 0 GEADRO COc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000615261595 651858175 /nfs/dbraw/zinc/85/81/75/651858175.db2.gz RJEGFOWJRUGARU-GJZGRUSLSA-N 1 0 383.286 2.393 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccc(Br)cc1O ZINC000615268295 651858810 /nfs/dbraw/zinc/85/88/10/651858810.db2.gz GHOLSEVMGRJUBH-HUUCEWRRSA-N 1 0 383.286 2.019 20 0 GEADRO Cc1ccc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c(C)c1Br ZINC000615273406 651859155 /nfs/dbraw/zinc/85/91/55/651859155.db2.gz QCAGEEBSBCPZOQ-UHFFFAOYSA-N 1 0 380.330 2.385 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3c(F)cc(Br)cc3F)C2)CC1 ZINC000615273488 651859205 /nfs/dbraw/zinc/85/92/05/651859205.db2.gz UANHLLIUHSACLI-UHFFFAOYSA-N 1 0 388.256 2.047 20 0 GEADRO CO[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C)c1ccccc1Br ZINC000615276053 651859885 /nfs/dbraw/zinc/85/98/85/651859885.db2.gz PRYHEAUEPHYZNM-IKGGRYGDSA-N 1 0 397.313 2.458 20 0 GEADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000571917118 651861456 /nfs/dbraw/zinc/86/14/56/651861456.db2.gz FQZKTURWVAITNO-BLLLJJGKSA-N 1 0 377.242 2.115 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000615376877 651862874 /nfs/dbraw/zinc/86/28/74/651862874.db2.gz ITQWSBZXAAHYNV-UHFFFAOYSA-N 1 0 393.245 2.041 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000571970865 651864009 /nfs/dbraw/zinc/86/40/09/651864009.db2.gz PGBHPBLFYOSAKK-GFCCVEGCSA-N 1 0 378.274 2.101 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)COc1ccc(Br)cc1 ZINC000571994346 651866147 /nfs/dbraw/zinc/86/61/47/651866147.db2.gz OQEMKDJPEKWYAD-CHWSQXEVSA-N 1 0 397.235 2.415 20 0 GEADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000572015715 651867546 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GEADRO Ic1cnn(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000738025012 651876512 /nfs/dbraw/zinc/87/65/12/651876512.db2.gz XGTAZDIZRBPLGB-UHFFFAOYSA-N 1 0 396.276 2.306 20 0 GEADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(S(=O)(=O)NC)cs1)c1ccco1 ZINC000572197248 651878236 /nfs/dbraw/zinc/87/82/36/651878236.db2.gz YGRFMMLUAFFNAZ-WCQYABFASA-N 1 0 385.511 2.108 20 0 GEADRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(I)cc1)C[NH+](C)C ZINC000572192580 651878356 /nfs/dbraw/zinc/87/83/56/651878356.db2.gz NIUCCOAIARXEAS-NEPJUHHUSA-N 1 0 390.265 2.372 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651279967 651878989 /nfs/dbraw/zinc/87/89/89/651878989.db2.gz YGBKONLTSLSWOL-DZGCQCFKSA-N 1 0 396.329 2.067 20 0 GEADRO CN(C(=O)COC1CC[NH2+]CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000572234621 651880294 /nfs/dbraw/zinc/88/02/94/651880294.db2.gz QSKJMFJHEUKDTB-HNNXBMFYSA-N 1 0 383.286 2.500 20 0 GEADRO CN(C)c1nc2sc(C(=O)N3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2s1 ZINC000572241965 651880514 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C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000617507437 651955694 /nfs/dbraw/zinc/95/56/94/651955694.db2.gz WPWHQYCMSLSGLZ-AWEZNQCLSA-N 1 0 397.361 2.264 20 0 GEADRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c2cc(Br)ccc2n1 ZINC000573443320 651956504 /nfs/dbraw/zinc/95/65/04/651956504.db2.gz HDBRXFILCFSJJP-ZDUSSCGKSA-N 1 0 378.270 2.496 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000653847780 651956742 /nfs/dbraw/zinc/95/67/42/651956742.db2.gz AURLXHNOSLGZPW-UHFFFAOYSA-N 1 0 379.400 2.104 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654411378 651960464 /nfs/dbraw/zinc/96/04/64/651960464.db2.gz GXAWTYBMTSHEIS-LSDHHAIUSA-N 1 0 382.302 2.026 20 0 GEADRO CC(C)(CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccc(Br)c1 ZINC000654419931 651961263 /nfs/dbraw/zinc/96/12/63/651961263.db2.gz AFIDDZCTRGJTGW-JKSUJKDBSA-N 1 0 396.329 2.187 20 0 GEADRO C[C@@H]1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)[C@H](n2cncn2)C1 ZINC000573557469 651964582 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C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)C(C)(C)n1cncn1 ZINC000574798901 652043759 /nfs/dbraw/zinc/04/37/59/652043759.db2.gz DATXPAQUJCTFSE-LBPRGKRZSA-N 1 0 380.290 2.184 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000656705379 652046496 /nfs/dbraw/zinc/04/64/96/652046496.db2.gz PCLHHAKPEZXMFH-AWEZNQCLSA-N 1 0 379.444 2.413 20 0 GEADRO O=S(=O)(CC[NH2+]CCO[C@@H]1CC1(F)F)c1cccc(Br)c1 ZINC000656707542 652046809 /nfs/dbraw/zinc/04/68/09/652046809.db2.gz DGNAZGYQBIJWEQ-GFCCVEGCSA-N 1 0 384.242 2.237 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccccc2Cl)CCCCC1 ZINC000656711872 652047198 /nfs/dbraw/zinc/04/71/98/652047198.db2.gz BLRJNGZLQHHWIQ-CQSZACIVSA-N 1 0 375.918 2.417 20 0 GEADRO O[C@H](C[NH2+]CC1(Cc2ccc(Br)cc2)CC1)CN1CCOCC1 ZINC000656708632 652047358 /nfs/dbraw/zinc/04/73/58/652047358.db2.gz IFBBHQMSIHCALM-QGZVFWFLSA-N 1 0 383.330 2.055 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000574901230 652051015 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GGDBWBLSLLNFQP-UHFFFAOYSA-N 1 0 384.318 2.168 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000657092286 652112000 /nfs/dbraw/zinc/11/20/00/652112000.db2.gz SFBFMXSAYBBUOV-NSHDSACASA-N 1 0 379.320 2.385 20 0 GEADRO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000576473039 652120959 /nfs/dbraw/zinc/12/09/59/652120959.db2.gz YOERKUQBAHCWGX-CYBMUJFWSA-N 1 0 386.279 2.131 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000576490462 652122147 /nfs/dbraw/zinc/12/21/47/652122147.db2.gz DQHNWBSSTUSMOQ-KRTXAFLBSA-N 1 0 390.640 2.000 20 0 GEADRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c2ccc(Br)cc2n1 ZINC000576583049 652129233 /nfs/dbraw/zinc/12/92/33/652129233.db2.gz XSWWXWQINKHGGM-ZDUSSCGKSA-N 1 0 378.270 2.496 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000576587586 652129907 /nfs/dbraw/zinc/12/99/07/652129907.db2.gz LXSUWHVTLCZMGU-HUUCEWRRSA-N 1 0 397.317 2.001 20 0 GEADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCc2nn(C)cc2Br)C[C@@H](C)C1 ZINC000576717587 652140200 /nfs/dbraw/zinc/14/02/00/652140200.db2.gz KOTSBQXHWZDYIG-HUBLWGQQSA-N 1 0 384.322 2.054 20 0 GEADRO C[NH2+][C@H](C)Cc1noc([C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000576754621 652142632 /nfs/dbraw/zinc/14/26/32/652142632.db2.gz VSVNSXHUFAPVNI-BDAKNGLRSA-N 1 0 393.241 2.340 20 0 GEADRO COc1cc(CN2CCC(CO)([NH2+]CC(C)C)CC2)c(Br)cn1 ZINC000621299228 652143442 /nfs/dbraw/zinc/14/34/42/652143442.db2.gz ZJHPCICJGOPYNN-UHFFFAOYSA-N 1 0 386.334 2.425 20 0 GEADRO C[C@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)CC[N@@H+](C2CCC2)C1 ZINC000576842491 652147468 /nfs/dbraw/zinc/14/74/68/652147468.db2.gz LRFRZKCNPJSZCE-GFCCVEGCSA-N 1 0 392.301 2.438 20 0 GEADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747254513 652152778 /nfs/dbraw/zinc/15/27/78/652152778.db2.gz DUQMMDZFKSYYFX-UONOGXRCSA-N 1 0 378.416 2.155 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000576928172 652155075 /nfs/dbraw/zinc/15/50/75/652155075.db2.gz NQXYCKLEEAXSFG-CYBMUJFWSA-N 1 0 394.273 2.440 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000621466488 652156961 /nfs/dbraw/zinc/15/69/61/652156961.db2.gz PGKUORMGRBPUME-WFASDCNBSA-N 1 0 382.302 2.153 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000621466487 652157399 /nfs/dbraw/zinc/15/73/99/652157399.db2.gz PGKUORMGRBPUME-SWLSCSKDSA-N 1 0 382.302 2.153 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)c1ccc(Br)cc1 ZINC000576951059 652158242 /nfs/dbraw/zinc/15/82/42/652158242.db2.gz ZMOQFOHSJREOJZ-GFCCVEGCSA-N 1 0 382.302 2.214 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000576967945 652159641 /nfs/dbraw/zinc/15/96/41/652159641.db2.gz HRVYKGDJZMKIQW-CABCVRRESA-N 1 0 386.901 2.422 20 0 GEADRO Cc1c(Br)cncc1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000657358244 652161960 /nfs/dbraw/zinc/16/19/60/652161960.db2.gz IYNUAHXMSKGNPN-UHFFFAOYSA-N 1 0 383.334 2.185 20 0 GEADRO COC[C@H](C)Oc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000657414343 652164071 /nfs/dbraw/zinc/16/40/71/652164071.db2.gz XKXCABKIHLZGJM-AWEZNQCLSA-N 1 0 384.523 2.230 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657436957 652164735 /nfs/dbraw/zinc/16/47/35/652164735.db2.gz XCWJQFLYNHTUKQ-UHFFFAOYSA-N 1 0 390.347 2.304 20 0 GEADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C2 ZINC000577172521 652167351 /nfs/dbraw/zinc/16/73/51/652167351.db2.gz YOGNLYBDAWPANI-HZPDHXFCSA-N 1 0 392.297 2.434 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621839954 652168615 /nfs/dbraw/zinc/16/86/15/652168615.db2.gz AWITXAITEWTFNG-ACJLOTCBSA-N 1 0 394.313 2.022 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000657520604 652169054 /nfs/dbraw/zinc/16/90/54/652169054.db2.gz GCCAZULLFVSPOM-SNVBAGLBSA-N 1 0 386.265 2.436 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657524424 652170010 /nfs/dbraw/zinc/17/00/10/652170010.db2.gz YKTGLBUUOSVHNA-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)s2)C[C@H](C)O1 ZINC000577216152 652170432 /nfs/dbraw/zinc/17/04/32/652170432.db2.gz GITVCIDFODSPNH-XVIXHAIJSA-N 1 0 389.359 2.426 20 0 GEADRO CCC[C@H]1CN(C(=O)c2cc(Br)c[nH]c2=O)CC[N@@H+]1CCOC ZINC000621938987 652171197 /nfs/dbraw/zinc/17/11/97/652171197.db2.gz SRVMSFXPDYGUAS-ZDUSSCGKSA-N 1 0 386.290 2.123 20 0 GEADRO CO[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H]1CCOC1 ZINC000657543211 652171413 /nfs/dbraw/zinc/17/14/13/652171413.db2.gz RYZKLPOABCFYGA-LRDDRELGSA-N 1 0 381.274 2.171 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622014540 652175058 /nfs/dbraw/zinc/17/50/58/652175058.db2.gz HEKZSKKWOQLLIU-OTYXRUKQSA-N 1 0 393.278 2.099 20 0 GEADRO CCCOc1ccc(Br)cc1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000657597464 652177068 /nfs/dbraw/zinc/17/70/68/652177068.db2.gz PHORLLFCEOIKCL-KRWDZBQOSA-N 1 0 388.302 2.496 20 0 GEADRO OCCO[C@@]1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCOC1 ZINC000657597355 652177748 /nfs/dbraw/zinc/17/77/48/652177748.db2.gz MNVAIWDTJFTOTH-OAHLLOKOSA-N 1 0 396.228 2.308 20 0 GEADRO OCCO[C@@]1(C[NH2+]Cc2ccnc3c(Br)cccc23)CCOC1 ZINC000657598674 652178147 /nfs/dbraw/zinc/17/81/47/652178147.db2.gz PWLIHHCMFBHFSF-QGZVFWFLSA-N 1 0 381.270 2.255 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000657597673 652178344 /nfs/dbraw/zinc/17/83/44/652178344.db2.gz BHLRJKDLDSHECI-WBMJQRKESA-N 1 0 376.266 2.277 20 0 GEADRO OCCO[C@@]1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCOC1 ZINC000657597494 652178416 /nfs/dbraw/zinc/17/84/16/652178416.db2.gz QJQDDNNITLQFJE-OAHLLOKOSA-N 1 0 396.228 2.308 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)C1(CO)CC1 ZINC000657608853 652179435 /nfs/dbraw/zinc/17/94/35/652179435.db2.gz ZEBUFWCRGCFVQX-NWDGAFQWSA-N 1 0 385.302 2.213 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000657630114 652182146 /nfs/dbraw/zinc/18/21/46/652182146.db2.gz UMLQCGOSKGDLKT-GFCCVEGCSA-N 1 0 398.276 2.436 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc(Br)c1O ZINC000657635569 652182985 /nfs/dbraw/zinc/18/29/85/652182985.db2.gz UVNWAILOMHOSPR-MWLCHTKSSA-N 1 0 378.288 2.219 20 0 GEADRO CC(C)[C@](C)(CO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000577381883 652183943 /nfs/dbraw/zinc/18/39/43/652183943.db2.gz QIMKPZWMCUHMOZ-AWEZNQCLSA-N 1 0 376.238 2.226 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000657641722 652184353 /nfs/dbraw/zinc/18/43/53/652184353.db2.gz KQPSNIBHEQNKIU-VIFPVBQESA-N 1 0 390.228 2.076 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000577458046 652188661 /nfs/dbraw/zinc/18/86/61/652188661.db2.gz JJRLGOHHDICFFG-UHFFFAOYSA-N 1 0 390.267 2.129 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000657693599 652192551 /nfs/dbraw/zinc/19/25/51/652192551.db2.gz QJRSRWDYLPJSIJ-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO OC[C@]1(C[NH2+]Cc2ccc(Br)o2)COCCN1Cc1ccccc1 ZINC000657746642 652200499 /nfs/dbraw/zinc/20/04/99/652200499.db2.gz ZMLHNIPIOWGIGD-GOSISDBHSA-N 1 0 395.297 2.395 20 0 GEADRO Cc1cnc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)nc1 ZINC000577621759 652202133 /nfs/dbraw/zinc/20/21/33/652202133.db2.gz BEEVOUXKYBVAPF-AWEZNQCLSA-N 1 0 384.249 2.259 20 0 GEADRO C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)[C@H](C)[NH3+] ZINC000577632406 652203413 /nfs/dbraw/zinc/20/34/13/652203413.db2.gz KGWHKBVTTJOEPY-IGJMFERPSA-N 1 0 387.267 2.050 20 0 GEADRO CC[NH+](CC)CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ccc(Br)cn1 ZINC000622860018 652203818 /nfs/dbraw/zinc/20/38/18/652203818.db2.gz JZGARTYVIVEMEB-FOLVSLTJSA-N 1 0 382.302 2.411 20 0 GEADRO O=C(CNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)N1CC[NH2+]CC1 ZINC000577727984 652210967 /nfs/dbraw/zinc/21/09/67/652210967.db2.gz MIEUXJZSHQFZFF-UHFFFAOYSA-N 1 0 399.303 2.279 20 0 GEADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000577726137 652211169 /nfs/dbraw/zinc/21/11/69/652211169.db2.gz NYNCKHCSGGSEIX-AWEZNQCLSA-N 1 0 384.318 2.319 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657896743 652214385 /nfs/dbraw/zinc/21/43/85/652214385.db2.gz BMXKPKQYHSOMNZ-NSHDSACASA-N 1 0 386.265 2.469 20 0 GEADRO Cc1c(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)sc2nc(C)nc(C)c12 ZINC000748820085 652218421 /nfs/dbraw/zinc/21/84/21/652218421.db2.gz BLMXCPDVAZGINW-UHFFFAOYSA-N 1 0 382.555 2.378 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000623066892 652222300 /nfs/dbraw/zinc/22/23/00/652222300.db2.gz SIOREACSEARAQG-UHFFFAOYSA-N 1 0 383.290 2.087 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3nc4cc(Cl)ccc4s3)C2)nn1 ZINC000623070924 652222381 /nfs/dbraw/zinc/22/23/81/652222381.db2.gz VRNSMAHPIRPVQW-GFCCVEGCSA-N 1 0 376.873 2.477 20 0 GEADRO C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)N(C)C1CC1 ZINC000577859155 652223568 /nfs/dbraw/zinc/22/35/68/652223568.db2.gz NNYQVISSBNUDLA-LBPRGKRZSA-N 1 0 375.332 2.295 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000577867875 652225022 /nfs/dbraw/zinc/22/50/22/652225022.db2.gz FMRYUCXRAKLXBV-MRXNPFEDSA-N 1 0 396.329 2.084 20 0 GEADRO COC[C@@H](CC1CCOCC1)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000657997987 652228198 /nfs/dbraw/zinc/22/81/98/652228198.db2.gz HXBNEFYBDGTGGM-HZPDHXFCSA-N 1 0 385.302 2.397 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=S)NCc2ccc(Br)cc2)CC1 ZINC000749003957 652229885 /nfs/dbraw/zinc/22/98/85/652229885.db2.gz ATRHRVGETIVUFI-UHFFFAOYSA-N 1 0 399.402 2.439 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000749027197 652230459 /nfs/dbraw/zinc/23/04/59/652230459.db2.gz ZDBYGPACJMYCEK-UHFFFAOYSA-N 1 0 387.933 2.147 20 0 GEADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000658029105 652233158 /nfs/dbraw/zinc/23/31/58/652233158.db2.gz ZMBJVMVNMJTPSW-CVEARBPZSA-N 1 0 390.343 2.155 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000658047903 652233754 /nfs/dbraw/zinc/23/37/54/652233754.db2.gz UPKPYUOEYAEDQB-HUUCEWRRSA-N 1 0 375.332 2.394 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000658051801 652234256 /nfs/dbraw/zinc/23/42/56/652234256.db2.gz AAHDQCFQFWVOOJ-DTORHVGOSA-N 1 0 390.228 2.122 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(c2nc(CS(C)(=O)=O)nc(Cl)c2CC)C1 ZINC000749099713 652234505 /nfs/dbraw/zinc/23/45/05/652234505.db2.gz VJGWPNUMTCKCIF-ZDUSSCGKSA-N 1 0 388.965 2.405 20 0 GEADRO COC[C@@H](CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)OC ZINC000658080588 652235144 /nfs/dbraw/zinc/23/51/44/652235144.db2.gz BQNRDVHQXSCBQK-OCCSQVGLSA-N 1 0 392.315 2.309 20 0 GEADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578011521 652235643 /nfs/dbraw/zinc/23/56/43/652235643.db2.gz UPOKZEHKBFBELC-UXLLHSPISA-N 1 0 378.314 2.264 20 0 GEADRO Cn1ccnc1[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)C1CC1 ZINC000658092227 652235626 /nfs/dbraw/zinc/23/56/26/652235626.db2.gz KQTOYNUBAOCOMP-CQSZACIVSA-N 1 0 378.274 2.048 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000578013157 652236145 /nfs/dbraw/zinc/23/61/45/652236145.db2.gz FIPUWOLRGDASNR-QWHCGFSZSA-N 1 0 396.329 2.397 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cc2n(n1)CCC2 ZINC000658095729 652236304 /nfs/dbraw/zinc/23/63/04/652236304.db2.gz KQHFKEDSOOIKCK-NSHDSACASA-N 1 0 378.274 2.067 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ncc1Br ZINC000658120418 652237137 /nfs/dbraw/zinc/23/71/37/652237137.db2.gz HENGDLDXJLNRBO-GFCCVEGCSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000658125388 652238239 /nfs/dbraw/zinc/23/82/39/652238239.db2.gz BUBOSMVLKVGWMI-SNVBAGLBSA-N 1 0 378.420 2.175 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658126664 652238355 /nfs/dbraw/zinc/23/83/55/652238355.db2.gz HBBJZQHSFLOUIB-GFCCVEGCSA-N 1 0 383.290 2.080 20 0 GEADRO OCCO[C@]1(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CCOC1 ZINC000658149350 652239577 /nfs/dbraw/zinc/23/95/77/652239577.db2.gz SKHNYFSJXWGDFM-WBVHZDCISA-N 1 0 386.286 2.420 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000578126518 652245705 /nfs/dbraw/zinc/24/57/05/652245705.db2.gz PHUNHPVNWXLGBM-HNNXBMFYSA-N 1 0 393.285 2.379 20 0 GEADRO C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCC[NH2+]1 ZINC000578126554 652245785 /nfs/dbraw/zinc/24/57/85/652245785.db2.gz YNOVIJYOXMJTLH-YPMHNXCESA-N 1 0 380.341 2.392 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658254036 652247369 /nfs/dbraw/zinc/24/73/69/652247369.db2.gz XTJRUSMVYYPYJF-CUOATXAZSA-N 1 0 389.315 2.051 20 0 GEADRO COCC[N@H+](C)CCNC(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000623572194 652247635 /nfs/dbraw/zinc/24/76/35/652247635.db2.gz UMUBGAMKWZOPNE-UHFFFAOYSA-N 1 0 388.281 2.234 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000658263782 652248274 /nfs/dbraw/zinc/24/82/74/652248274.db2.gz MNYQLXYQDNYTCB-NSHDSACASA-N 1 0 383.290 2.080 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ncc1Br ZINC000658264722 652248946 /nfs/dbraw/zinc/24/89/46/652248946.db2.gz USOWWVYWNKKYFP-NSHDSACASA-N 1 0 383.290 2.080 20 0 GEADRO C[C@H](CNC(=O)c1ccc2ncc(I)n2c1)[NH+]1CCCC1 ZINC000749381511 652249279 /nfs/dbraw/zinc/24/92/79/652249279.db2.gz UMRINVDRGNIKBT-LLVKDONJSA-N 1 0 398.248 2.153 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000578167879 652249466 /nfs/dbraw/zinc/24/94/66/652249466.db2.gz SAXVQMCBKRLIHK-SSDOTTSWSA-N 1 0 382.180 2.212 20 0 GEADRO Brc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)s1 ZINC000623653332 652252004 /nfs/dbraw/zinc/25/20/04/652252004.db2.gz DUHZMUNCCIMJME-JTQLQIEISA-N 1 0 379.287 2.317 20 0 GEADRO Fc1ccc(Br)cc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623654006 652252681 /nfs/dbraw/zinc/25/26/81/652252681.db2.gz TYHIVHHCZRTXRV-ZDUSSCGKSA-N 1 0 391.248 2.394 20 0 GEADRO O=C(CC[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)Nc1ccc(Br)cc1 ZINC000578232782 652254979 /nfs/dbraw/zinc/25/49/79/652254979.db2.gz IBBSUHANIQYTKB-LBPRGKRZSA-N 1 0 380.286 2.378 20 0 GEADRO CCN(C(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@@H]1CC[N@H+](C)C1 ZINC000658360244 652255068 /nfs/dbraw/zinc/25/50/68/652255068.db2.gz HOELWDGPGPFTQB-CYBMUJFWSA-N 1 0 398.276 2.030 20 0 GEADRO COc1cc(C[NH2+]C[C@H]2COCCN2C)cc(Br)c1OC(F)F ZINC000623710696 652255497 /nfs/dbraw/zinc/25/54/97/652255497.db2.gz KVSCFUYPDOZUEZ-NSHDSACASA-N 1 0 395.244 2.479 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000749535770 652257975 /nfs/dbraw/zinc/25/79/75/652257975.db2.gz UPSYKRIEPNTCDS-NXHRZFHOSA-N 1 0 386.945 2.297 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000658374364 652259600 /nfs/dbraw/zinc/25/96/00/652259600.db2.gz NZZYNOJYXCUCEQ-GFCCVEGCSA-N 1 0 377.304 2.254 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000658378716 652260592 /nfs/dbraw/zinc/26/05/92/652260592.db2.gz ZCCFUTBIEBTYLS-SECBINFHSA-N 1 0 381.267 2.017 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000658380207 652261056 /nfs/dbraw/zinc/26/10/56/652261056.db2.gz IVCHMDWXKHRMNG-RNCFNFMXSA-N 1 0 379.707 2.475 20 0 GEADRO O=S(=O)(c1ncccc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000658380637 652261062 /nfs/dbraw/zinc/26/10/62/652261062.db2.gz WFDUKKIMYMSYDN-QWHCGFSZSA-N 1 0 388.331 2.244 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000658380926 652261102 /nfs/dbraw/zinc/26/11/02/652261102.db2.gz LFALJEWCRBQAAD-NXEZZACHSA-N 1 0 395.294 2.393 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000658380330 652261414 /nfs/dbraw/zinc/26/14/14/652261414.db2.gz ODDDMUZUNLBLJQ-QMTHXVAHSA-N 1 0 377.279 2.102 20 0 GEADRO C[C@H](C[C@H]1COCC[NH2+]1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000578313938 652261604 /nfs/dbraw/zinc/26/16/04/652261604.db2.gz CBSKOESWNGJFMK-RISCZKNCSA-N 1 0 380.290 2.091 20 0 GEADRO CCOc1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)cc1Br ZINC000658389571 652263610 /nfs/dbraw/zinc/26/36/10/652263610.db2.gz IWFUXAKDJCNVBS-UHFFFAOYSA-N 1 0 377.304 2.398 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ncccc1Br ZINC000658391557 652264395 /nfs/dbraw/zinc/26/43/95/652264395.db2.gz ONMKNJYFZDPFBB-UKRRQHHQSA-N 1 0 396.310 2.268 20 0 GEADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000658411821 652268076 /nfs/dbraw/zinc/26/80/76/652268076.db2.gz RYKVNDNXXJRGKQ-ZETCQYMHSA-N 1 0 375.210 2.354 20 0 GEADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000658412123 652268242 /nfs/dbraw/zinc/26/82/42/652268242.db2.gz TVMCCJDZZGRHAL-SSDOTTSWSA-N 1 0 375.210 2.354 20 0 GEADRO CSc1ccc(Cl)cc1NC(=O)C(=O)NCCN(C)CCC[NH+](C)C ZINC000658426955 652269540 /nfs/dbraw/zinc/26/95/40/652269540.db2.gz LNSMYGHNWAUGTC-UHFFFAOYSA-N 1 0 386.949 2.000 20 0 GEADRO C[C@@H](CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[NH+](C)C ZINC000658427769 652270554 /nfs/dbraw/zinc/27/05/54/652270554.db2.gz PAAWDMRINHCQPY-NSHDSACASA-N 1 0 382.302 2.333 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cccc2cncc(Br)c21)[NH+](C)C ZINC000658427710 652270564 /nfs/dbraw/zinc/27/05/64/652270564.db2.gz OPWOKCUPBBLETN-LLVKDONJSA-N 1 0 393.285 2.392 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000624103593 652270735 /nfs/dbraw/zinc/27/07/35/652270735.db2.gz HREMOVFRMCDKQH-UHFFFAOYSA-N 1 0 383.501 2.136 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000578442797 652273245 /nfs/dbraw/zinc/27/32/45/652273245.db2.gz INECEBLCCGAZRI-YGRLFVJLSA-N 1 0 397.324 2.295 20 0 GEADRO CO[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)[C@@H](C[NH3+])C1 ZINC000578443653 652273812 /nfs/dbraw/zinc/27/38/12/652273812.db2.gz OWRCHVXUKCMRGS-KGLIPLIRSA-N 1 0 393.285 2.418 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000749978452 652277941 /nfs/dbraw/zinc/27/79/41/652277941.db2.gz ZKEOWVAMPYNHFT-GFCCVEGCSA-N 1 0 375.922 2.050 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000658484544 652279909 /nfs/dbraw/zinc/27/99/09/652279909.db2.gz WFCCQWSQTLJAMI-INIZCTEOSA-N 1 0 394.313 2.133 20 0 GEADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000624370848 652284550 /nfs/dbraw/zinc/28/45/50/652284550.db2.gz YVZNNSJFDRBZSI-CHWSQXEVSA-N 1 0 375.441 2.021 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)CC12CCOCC2 ZINC000578649814 652285737 /nfs/dbraw/zinc/28/57/37/652285737.db2.gz MLPTWEYFQHSDOF-WFASDCNBSA-N 1 0 395.297 2.139 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000578650734 652285823 /nfs/dbraw/zinc/28/58/23/652285823.db2.gz GOLXUWAHZFBQAI-GFCCVEGCSA-N 1 0 397.850 2.027 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000658540888 652285736 /nfs/dbraw/zinc/28/57/36/652285736.db2.gz DMHWTEDRJVXKFS-ZDUSSCGKSA-N 1 0 377.794 2.080 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC[C@H]1C(F)(F)F ZINC000624390611 652286633 /nfs/dbraw/zinc/28/66/33/652286633.db2.gz FAUVACOYJSZHHF-RKDXNWHRSA-N 1 0 396.822 2.364 20 0 GEADRO C[C@H](COC1CCCC1)CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624391856 652288258 /nfs/dbraw/zinc/28/82/58/652288258.db2.gz FISWHPVGLZNJRX-VNHYZAJKSA-N 1 0 386.480 2.371 20 0 GEADRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1=O ZINC000578758910 652290942 /nfs/dbraw/zinc/29/09/42/652290942.db2.gz FAVKHIGSRKCDAR-KCPJHIHWSA-N 1 0 380.286 2.377 20 0 GEADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000624411770 652291984 /nfs/dbraw/zinc/29/19/84/652291984.db2.gz SYBYMVCEAXTSAY-BETUJISGSA-N 1 0 379.345 2.439 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000578766921 652292343 /nfs/dbraw/zinc/29/23/43/652292343.db2.gz KXAILNZORDSZGA-CYBMUJFWSA-N 1 0 395.294 2.263 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(Br)cc1F)C2 ZINC000624412112 652292322 /nfs/dbraw/zinc/29/23/22/652292322.db2.gz JCOWNMWUMVIYDN-OKILXGFUSA-N 1 0 377.279 2.208 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000578769691 652293007 /nfs/dbraw/zinc/29/30/07/652293007.db2.gz ZSRITFXEGNBKDK-WDEREUQCSA-N 1 0 384.832 2.068 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(=O)[nH]cn1 ZINC000624763142 652302161 /nfs/dbraw/zinc/30/21/61/652302161.db2.gz MJJVVALVIDCVFR-UHFFFAOYSA-N 1 0 379.258 2.149 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1C)C1CC1 ZINC000578896046 652302571 /nfs/dbraw/zinc/30/25/71/652302571.db2.gz KWMDQSDIXKLYEA-UHFFFAOYSA-N 1 0 396.329 2.316 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000578903551 652302930 /nfs/dbraw/zinc/30/29/30/652302930.db2.gz MQYOHEHUADUBPK-UHFFFAOYSA-N 1 0 382.935 2.296 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000658708941 652305106 /nfs/dbraw/zinc/30/51/06/652305106.db2.gz XHEHMXMDINIVKY-LBPRGKRZSA-N 1 0 397.317 2.328 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cccc2c1OCO2)c1ccc(Cl)cc1F ZINC000578956945 652305981 /nfs/dbraw/zinc/30/59/81/652305981.db2.gz PDMLKTZNAAFNHD-UHFFFAOYSA-N 1 0 386.832 2.276 20 0 GEADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578966704 652307500 /nfs/dbraw/zinc/30/75/00/652307500.db2.gz DEPFORKPLRXFCG-ZJUUUORDSA-N 1 0 388.212 2.019 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579005835 652310382 /nfs/dbraw/zinc/31/03/82/652310382.db2.gz ROORLQGYSNIWMF-KBPBESRZSA-N 1 0 397.313 2.430 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C)c2F)C1 ZINC000658778695 652313388 /nfs/dbraw/zinc/31/33/88/652313388.db2.gz ORNUZCWMFSXTLW-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C)c(Br)c(F)c2)C1 ZINC000658781981 652313959 /nfs/dbraw/zinc/31/39/59/652313959.db2.gz DQWYWNZWGIRDPR-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4ccc(Cl)c(Cl)c4C3)C[C@@H]21 ZINC000658809507 652315568 /nfs/dbraw/zinc/31/55/68/652315568.db2.gz NTEGEIOOCCITMV-DOMZBBRYSA-N 1 0 382.291 2.041 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000658808852 652315622 /nfs/dbraw/zinc/31/56/22/652315622.db2.gz 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CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000659680377 652363078 /nfs/dbraw/zinc/36/30/78/652363078.db2.gz MVSJALVJOMABEX-UHFFFAOYSA-N 1 0 396.329 2.183 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CCCC1 ZINC000659692974 652363416 /nfs/dbraw/zinc/36/34/16/652363416.db2.gz CDCAZBNSDONDNW-LBPRGKRZSA-N 1 0 398.326 2.100 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659708270 652363727 /nfs/dbraw/zinc/36/37/27/652363727.db2.gz OPUCAEYYABIFPF-NSHDSACASA-N 1 0 398.301 2.023 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCCC1)c1cccc(Br)c1 ZINC000659699186 652363828 /nfs/dbraw/zinc/36/38/28/652363828.db2.gz MLNSDDVJZCTQBD-UHFFFAOYSA-N 1 0 396.329 2.231 20 0 GEADRO CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000580092900 652366684 /nfs/dbraw/zinc/36/66/84/652366684.db2.gz SZPOGVFBERPVRW-UHFFFAOYSA-N 1 0 394.273 2.418 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(Cc2oc3ccccc3c2Br)CC1 ZINC000659839599 652367381 /nfs/dbraw/zinc/36/73/81/652367381.db2.gz ZCHQTRGBSFFIAZ-UHFFFAOYSA-N 1 0 380.286 2.401 20 0 GEADRO CN1CCN(C(=O)C[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000625704396 652368531 /nfs/dbraw/zinc/36/85/31/652368531.db2.gz MDYYAQVWYOKUED-INIZCTEOSA-N 1 0 398.370 2.390 20 0 GEADRO C[C@@H](CCNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)[NH+]1CCCCC1 ZINC000580172106 652368553 /nfs/dbraw/zinc/36/85/53/652368553.db2.gz PATOJPPXGNGROP-LBPRGKRZSA-N 1 0 386.543 2.000 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000659900226 652370446 /nfs/dbraw/zinc/37/04/46/652370446.db2.gz MDWRBPONQGJGCO-ROUUACIJSA-N 1 0 376.563 2.145 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)CC1(C)COC1 ZINC000625787756 652370449 /nfs/dbraw/zinc/37/04/49/652370449.db2.gz GDIAMTRDAKIMOB-UHFFFAOYSA-N 1 0 385.302 2.255 20 0 GEADRO CC(C)OCC[C@H](O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796911 652371852 /nfs/dbraw/zinc/37/18/52/652371852.db2.gz NLKUJTBZZZFPBE-ROUUACIJSA-N 1 0 386.330 2.435 20 0 GEADRO NC(=O)c1cn(C2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)nn1 ZINC000625806478 652372224 /nfs/dbraw/zinc/37/22/24/652372224.db2.gz FXRHICVQRLLVFE-UHFFFAOYSA-N 1 0 384.267 2.400 20 0 GEADRO CS(=O)(=O)c1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000625840761 652373090 /nfs/dbraw/zinc/37/30/90/652373090.db2.gz ZJCLYUBNSXHXGR-WDEREUQCSA-N 1 0 379.404 2.081 20 0 GEADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3ccc(S(N)(=O)=O)s3)ccc21 ZINC000580282785 652373679 /nfs/dbraw/zinc/37/36/79/652373679.db2.gz DWNUWGJBPUNGMW-HNNXBMFYSA-N 1 0 379.507 2.126 20 0 GEADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000625863693 652373805 /nfs/dbraw/zinc/37/38/05/652373805.db2.gz LXXIEUPSWIDKIP-OAHLLOKOSA-N 1 0 378.274 2.372 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000580351196 652377206 /nfs/dbraw/zinc/37/72/06/652377206.db2.gz VAMPKENCJJEADY-JTQLQIEISA-N 1 0 378.420 2.035 20 0 GEADRO COc1cc(C(=O)NCCN2CCC([NH+](C)C)CC2)ccc1Br ZINC000625993311 652378573 /nfs/dbraw/zinc/37/85/73/652378573.db2.gz QVWIBDGAWSOBCR-UHFFFAOYSA-N 1 0 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/nfs/dbraw/zinc/41/69/67/652416967.db2.gz IFTZVHGIMTXCLZ-UHOFOFEASA-N 1 0 384.318 2.040 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)NCc1cc(F)c(Br)cc1F ZINC000627180811 652417236 /nfs/dbraw/zinc/41/72/36/652417236.db2.gz HTIDDEJTXKURCC-UHFFFAOYSA-N 1 0 380.233 2.105 20 0 GEADRO C[NH2+]CCOCCNC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000627172907 652417315 /nfs/dbraw/zinc/41/73/15/652417315.db2.gz JCZIJTZMIGRVJK-MRXNPFEDSA-N 1 0 399.333 2.271 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627188305 652417621 /nfs/dbraw/zinc/41/76/21/652417621.db2.gz BGPVBXMLAPTEIL-CABCVRRESA-N 1 0 384.318 2.400 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)C[NH2+]1 ZINC000627195566 652418517 /nfs/dbraw/zinc/41/85/17/652418517.db2.gz MEFDOEAZCMUKRU-RISCZKNCSA-N 1 0 388.281 2.233 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)C[NH2+]1 ZINC000627208002 652418658 /nfs/dbraw/zinc/41/86/58/652418658.db2.gz SODKAPBPGSWJOT-GXFFZTMASA-N 1 0 394.273 2.439 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)NC(C)(C)COc2ncccc2Br)C[NH2+]1 ZINC000627204025 652418668 /nfs/dbraw/zinc/41/86/68/652418668.db2.gz APOOURIQFQLMRV-RYUDHWBXSA-N 1 0 385.306 2.441 20 0 GEADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1occc1Br ZINC000753849271 652418979 /nfs/dbraw/zinc/41/89/79/652418979.db2.gz BQLKXBBJOWZRCO-INIZCTEOSA-N 1 0 394.313 2.421 20 0 GEADRO [NH3+]CCCOCCNC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000627216767 652419170 /nfs/dbraw/zinc/41/91/70/652419170.db2.gz VCIFZVBVCKRIIX-UHFFFAOYSA-N 1 0 375.300 2.190 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661141232 652420023 /nfs/dbraw/zinc/42/00/23/652420023.db2.gz NDIKEJIOBYAYLF-QWHCGFSZSA-N 1 0 378.274 2.390 20 0 GEADRO O=C(CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccc(Br)cc1 ZINC000581656591 652420428 /nfs/dbraw/zinc/42/04/28/652420428.db2.gz RNSBITQOKCXSEN-DOMZBBRYSA-N 1 0 395.301 2.171 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000627251460 652420721 /nfs/dbraw/zinc/42/07/21/652420721.db2.gz LVUUOVYNDJGQJD-NSHDSACASA-N 1 0 386.315 2.320 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000581666274 652421026 /nfs/dbraw/zinc/42/10/26/652421026.db2.gz ORVNUEMHTDABBC-KOLCDFICSA-N 1 0 389.315 2.031 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000661158436 652421060 /nfs/dbraw/zinc/42/10/60/652421060.db2.gz PUJCETXQCLJAQL-MRXNPFEDSA-N 1 0 385.302 2.037 20 0 GEADRO O=C(c1c(F)cc(Br)cc1F)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627260520 652421211 /nfs/dbraw/zinc/42/12/11/652421211.db2.gz JUPIYQDUXQSJJG-WDEREUQCSA-N 1 0 375.213 2.008 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000627321058 652422695 /nfs/dbraw/zinc/42/26/95/652422695.db2.gz BEPUJWHSMPVOIQ-BPQIPLTHSA-N 1 0 394.357 2.335 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)ccc3Br)C[C@@H]21 ZINC000581708806 652422792 /nfs/dbraw/zinc/42/27/92/652422792.db2.gz RWWXKIJHSNPEFL-RNCFNFMXSA-N 1 0 386.677 2.204 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000661190640 652423582 /nfs/dbraw/zinc/42/35/82/652423582.db2.gz HCSVFAIPQHJLLS-HNNXBMFYSA-N 1 0 398.349 2.457 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000627354788 652424566 /nfs/dbraw/zinc/42/45/66/652424566.db2.gz OCKXSICCDZWPJY-LLVKDONJSA-N 1 0 398.326 2.462 20 0 GEADRO O=C(COC1CC[NH2+]CC1)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000581819136 652425896 /nfs/dbraw/zinc/42/58/96/652425896.db2.gz FERNBHCUZSTSAS-UHFFFAOYSA-N 1 0 380.798 2.051 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000627393897 652425997 /nfs/dbraw/zinc/42/59/97/652425997.db2.gz PEXOJWAMHORUJZ-TZTCFGBESA-N 1 0 398.276 2.022 20 0 GEADRO O=C(CN1CC[NH2+]C[C@H]1C(F)F)Nc1c(F)cc(F)cc1Br ZINC000581824980 652426076 /nfs/dbraw/zinc/42/60/76/652426076.db2.gz QHBMZNDQIBMIMW-JTQLQIEISA-N 1 0 384.171 2.205 20 0 GEADRO C[NH+](C)CCCN(C(=O)CCCSC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000754067041 652426494 /nfs/dbraw/zinc/42/64/94/652426494.db2.gz IFNMHOFFXGTTDA-HNNXBMFYSA-N 1 0 378.604 2.266 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000754075177 652426699 /nfs/dbraw/zinc/42/66/99/652426699.db2.gz LJLXQAAMFBRYMQ-ZFWWWQNUSA-N 1 0 391.965 2.337 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627482210 652429478 /nfs/dbraw/zinc/42/94/78/652429478.db2.gz NPTBKTJCIRSVRW-XJKSGUPXSA-N 1 0 396.329 2.443 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C[NH2+]1 ZINC000627481558 652429578 /nfs/dbraw/zinc/42/95/78/652429578.db2.gz FBBCDLAOZANRBU-KCXAZCMYSA-N 1 0 381.929 2.213 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000627500873 652430581 /nfs/dbraw/zinc/43/05/81/652430581.db2.gz PVEDJSSRILDTTR-BLLLJJGKSA-N 1 0 394.313 2.054 20 0 GEADRO CC[N@H+](C)C[C@@H](O)CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000582010702 652431788 /nfs/dbraw/zinc/43/17/88/652431788.db2.gz AFCWGIGRYSTQSA-QGZVFWFLSA-N 1 0 398.345 2.412 20 0 GEADRO C[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]1CCO ZINC000661492543 652433070 /nfs/dbraw/zinc/43/30/70/652433070.db2.gz LBRROBQCUXGKIS-DOMZBBRYSA-N 1 0 380.286 2.440 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F)C[NH+](C)C ZINC000627583049 652433787 /nfs/dbraw/zinc/43/37/87/652433787.db2.gz KWEADVHSUITISP-QMMMGPOBSA-N 1 0 394.672 2.494 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@H](CCO)c2cccs2)cc1 ZINC000754382640 652434645 /nfs/dbraw/zinc/43/46/45/652434645.db2.gz MNONZBUIEXUYAW-MRXNPFEDSA-N 1 0 384.523 2.091 20 0 GEADRO COC(=O)c1ccsc1N1CC[C@@H]([NH2+][C@H](CCO)c2cccs2)C1=O ZINC000754383732 652434772 /nfs/dbraw/zinc/43/47/72/652434772.db2.gz KZUJPQYOCVPCPP-CHWSQXEVSA-N 1 0 380.491 2.415 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@H](O)CNc2cccc(I)c2)C[C@H](C)O1 ZINC000582117073 652435966 /nfs/dbraw/zinc/43/59/66/652435966.db2.gz CREFZFOMWZYAOJ-TYNCELHUSA-N 1 0 390.265 2.173 20 0 GEADRO C[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661643130 652436033 /nfs/dbraw/zinc/43/60/33/652436033.db2.gz MXODFMDHVZSPFB-FZMZJTMJSA-N 1 0 381.325 2.240 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)C[C@H]21 ZINC000627644046 652436964 /nfs/dbraw/zinc/43/69/64/652436964.db2.gz BUEWHZIJXBQQIU-ATCWAGBWSA-N 1 0 377.897 2.303 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccc(Br)cc1 ZINC000627645755 652437056 /nfs/dbraw/zinc/43/70/56/652437056.db2.gz OZRJLDIHMJVKCT-UIBIWLFHSA-N 1 0 394.313 2.035 20 0 GEADRO COC(=O)C[C@@](C)(NC[C@H](O)C[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000582150501 652437368 /nfs/dbraw/zinc/43/73/68/652437368.db2.gz DKWQLWJJTOIQPQ-FUHWJXTLSA-N 1 0 399.329 2.272 20 0 GEADRO O=C(NCCO[C@@H]1CC1(F)F)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000661677508 652437527 /nfs/dbraw/zinc/43/75/27/652437527.db2.gz OHDCAPYQYMAHBS-CQSZACIVSA-N 1 0 377.501 2.462 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCOC1 ZINC000754563380 652438535 /nfs/dbraw/zinc/43/85/35/652438535.db2.gz ASOYIAJTSVOFKL-RYUDHWBXSA-N 1 0 376.425 2.026 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@H]1CCCOC1 ZINC000754564973 652438825 /nfs/dbraw/zinc/43/88/25/652438825.db2.gz HOKFZNHXCCUICH-RYUDHWBXSA-N 1 0 376.425 2.026 20 0 GEADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000582231023 652441308 /nfs/dbraw/zinc/44/13/08/652441308.db2.gz BWHZBNJORARRPP-OEYIWLLWSA-N 1 0 382.302 2.386 20 0 GEADRO CCOC(=O)C1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000582297854 652444224 /nfs/dbraw/zinc/44/42/24/652444224.db2.gz IRQAJQZCKQHFTM-KRWDZBQOSA-N 1 0 383.286 2.425 20 0 GEADRO O=C(NC1CC(N2CCOCC2)C1)c1cc(Br)c(F)cc1F ZINC000627940631 652444128 /nfs/dbraw/zinc/44/41/28/652444128.db2.gz KMIIOAJJOADQLU-UHFFFAOYSA-N 1 0 375.213 2.320 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662041999 652446289 /nfs/dbraw/zinc/44/62/89/652446289.db2.gz MATIUXJLUZUFHM-GJZGRUSLSA-N 1 0 397.313 2.255 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000582349399 652446795 /nfs/dbraw/zinc/44/67/95/652446795.db2.gz NIELWRJMWQIIIZ-GHMZBOCLSA-N 1 0 384.274 2.333 20 0 GEADRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000662116795 652448686 /nfs/dbraw/zinc/44/86/86/652448686.db2.gz LCOYNSIERICNSS-GOEBONIOSA-N 1 0 399.329 2.425 20 0 GEADRO COc1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1OC ZINC000662160091 652449518 /nfs/dbraw/zinc/44/95/18/652449518.db2.gz MIJJWQVCSBPRHJ-OAHLLOKOSA-N 1 0 399.329 2.497 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000662154967 652449560 /nfs/dbraw/zinc/44/95/60/652449560.db2.gz HVASPEAIMCSMJU-AWEZNQCLSA-N 1 0 383.286 2.209 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662155107 652449589 /nfs/dbraw/zinc/44/95/89/652449589.db2.gz HPACPNLNSCPNSH-SUMWQHHRSA-N 1 0 396.329 2.307 20 0 GEADRO O[C@H](COc1ccc(Cl)cc1Cl)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662162108 652449968 /nfs/dbraw/zinc/44/99/68/652449968.db2.gz ZWVCUEZZDDJZLY-CVEARBPZSA-N 1 0 389.323 2.264 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124681 652452482 /nfs/dbraw/zinc/45/24/82/652452482.db2.gz QTSWUXYVSABUCC-UHFFFAOYSA-N 1 0 385.277 2.454 20 0 GEADRO Cc1nn(C)c(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c1Br ZINC000582526508 652453758 /nfs/dbraw/zinc/45/37/58/652453758.db2.gz LXLAHIKQEQDVSI-GFCCVEGCSA-N 1 0 383.265 2.064 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000582541485 652454562 /nfs/dbraw/zinc/45/45/62/652454562.db2.gz KFAHWNNTEINIRG-UONOGXRCSA-N 1 0 383.286 2.149 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000582546072 652455061 /nfs/dbraw/zinc/45/50/61/652455061.db2.gz YWKITYZGORJBKH-UHFFFAOYSA-N 1 0 377.894 2.103 20 0 GEADRO Fc1ccc([C@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CCO2)cc1Br ZINC000662279023 652455255 /nfs/dbraw/zinc/45/52/55/652455255.db2.gz OQTIQPRRFFASCR-CZUORRHYSA-N 1 0 385.277 2.483 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000662328840 652456074 /nfs/dbraw/zinc/45/60/74/652456074.db2.gz FSURGKHRRMCXFP-GFCCVEGCSA-N 1 0 382.224 2.229 20 0 GEADRO CN(CCS(=O)(=O)c1ccc(Br)cc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662328324 652456131 /nfs/dbraw/zinc/45/61/31/652456131.db2.gz BNYNTQOTJGSXOY-NSHDSACASA-N 1 0 389.237 2.044 20 0 GEADRO CN1C(=O)C[C@H]([NH2+]CCCCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755129873 652458031 /nfs/dbraw/zinc/45/80/31/652458031.db2.gz ARBLFTSDEIEHHB-GOEBONIOSA-N 1 0 376.881 2.165 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000662408172 652459300 /nfs/dbraw/zinc/45/93/00/652459300.db2.gz MUNPCGCRTHZIRE-CJNGLKHVSA-N 1 0 384.318 2.144 20 0 GEADRO NC(=O)[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1cccc(Br)c1 ZINC000662422900 652460184 /nfs/dbraw/zinc/46/01/84/652460184.db2.gz BDNKIEWGRXDAEN-AWEZNQCLSA-N 1 0 394.294 2.113 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CCO1 ZINC000662432371 652460525 /nfs/dbraw/zinc/46/05/25/652460525.db2.gz QGKCMQDQBZFAGV-BMIGLBTASA-N 1 0 380.242 2.292 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000582726223 652460973 /nfs/dbraw/zinc/46/09/73/652460973.db2.gz SFNABAPGKBCDMJ-GFCCVEGCSA-N 1 0 390.709 2.352 20 0 GEADRO COc1ccc(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1Br ZINC000662437790 652461030 /nfs/dbraw/zinc/46/10/30/652461030.db2.gz UUCBLIIRYFKNEQ-NSHDSACASA-N 1 0 379.258 2.188 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662453392 652461858 /nfs/dbraw/zinc/46/18/58/652461858.db2.gz XNVYRVXPZSDQMZ-MRXNPFEDSA-N 1 0 398.345 2.455 20 0 GEADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000582765935 652462099 /nfs/dbraw/zinc/46/20/99/652462099.db2.gz AJOBQQQNBPUPEU-GJZGRUSLSA-N 1 0 379.503 2.010 20 0 GEADRO CC(C)(CC(N)=O)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000755292284 652462186 /nfs/dbraw/zinc/46/21/86/652462186.db2.gz AWZIDNIEWAUSEV-JTQLQIEISA-N 1 0 379.682 2.086 20 0 GEADRO O=C(NCc1cc(F)ccc1Br)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662467565 652462843 /nfs/dbraw/zinc/46/28/43/652462843.db2.gz HSMMLKFXUKELHM-CYBMUJFWSA-N 1 0 396.264 2.424 20 0 GEADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000582831229 652463158 /nfs/dbraw/zinc/46/31/58/652463158.db2.gz NYRNYHYBHUNIIY-KGLIPLIRSA-N 1 0 382.555 2.389 20 0 GEADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000582831230 652463215 /nfs/dbraw/zinc/46/32/15/652463215.db2.gz NYRNYHYBHUNIIY-UONOGXRCSA-N 1 0 382.555 2.389 20 0 GEADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000582831231 652463255 /nfs/dbraw/zinc/46/32/55/652463255.db2.gz NYRNYHYBHUNIIY-ZIAGYGMSSA-N 1 0 382.555 2.389 20 0 GEADRO CN[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000662476689 652463369 /nfs/dbraw/zinc/46/33/69/652463369.db2.gz OLWNPNIEHGTIFV-CXAGYDPISA-N 1 0 386.323 2.435 20 0 GEADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc2c(s1)CC[NH2+]C2 ZINC000662475220 652463394 /nfs/dbraw/zinc/46/33/94/652463394.db2.gz ATDUJUZXTCQYHT-UHFFFAOYSA-N 1 0 392.282 2.358 20 0 GEADRO C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000662482056 652463733 /nfs/dbraw/zinc/46/37/33/652463733.db2.gz RRMHEQJRCSYANH-RYUDHWBXSA-N 1 0 393.285 2.446 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662488513 652464191 /nfs/dbraw/zinc/46/41/91/652464191.db2.gz QARWEQILFLGUPY-QGZVFWFLSA-N 1 0 398.345 2.455 20 0 GEADRO O=C(Cc1c(Cl)cccc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662519708 652465685 /nfs/dbraw/zinc/46/56/85/652465685.db2.gz XLUFJYXHDBHPIF-GFCCVEGCSA-N 1 0 386.721 2.151 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662532426 652466361 /nfs/dbraw/zinc/46/63/61/652466361.db2.gz BANXDHSFXAPMOM-ZDUSSCGKSA-N 1 0 378.519 2.294 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662539461 652466820 /nfs/dbraw/zinc/46/68/20/652466820.db2.gz XGRIXQHPHXQCMK-UHFFFAOYSA-N 1 0 378.274 2.204 20 0 GEADRO CC[NH2+]CCCNC(=O)NCCc1ccc(I)s1 ZINC000582954043 652468573 /nfs/dbraw/zinc/46/85/73/652468573.db2.gz OMNANDMSXRTGQF-UHFFFAOYSA-N 1 0 381.283 2.194 20 0 GEADRO N[C@@H](C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1Br ZINC000662576509 652468565 /nfs/dbraw/zinc/46/85/65/652468565.db2.gz VMUALQODOVWERQ-KBRIMQKVSA-N 1 0 396.329 2.194 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000662571096 652468598 /nfs/dbraw/zinc/46/85/98/652468598.db2.gz LELANCYVMAUZNS-UHFFFAOYSA-N 1 0 398.320 2.463 20 0 GEADRO CCO[C@@H]1CN(C(=O)CCc2ccc(OC)cc2Br)C[C@H]1C[NH3+] ZINC000662583201 652468743 /nfs/dbraw/zinc/46/87/43/652468743.db2.gz VNTBXJFNJKUQKU-CZUORRHYSA-N 1 0 385.302 2.213 20 0 GEADRO Cc1cc(Br)cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1C ZINC000662581040 652468766 /nfs/dbraw/zinc/46/87/66/652468766.db2.gz XJRUURDVCIXJEL-JKSUJKDBSA-N 1 0 377.286 2.366 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000662582323 652468813 /nfs/dbraw/zinc/46/88/13/652468813.db2.gz OBWDXYDRSWHXGD-TURNYIBQSA-N 1 0 377.243 2.396 20 0 GEADRO C[N@H+](CC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)[C@H]1CCSC1 ZINC000628742421 652469472 /nfs/dbraw/zinc/46/94/72/652469472.db2.gz ZBVDRRDKUKRIBX-IRXDYDNUSA-N 1 0 383.945 2.099 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000662678105 652470372 /nfs/dbraw/zinc/47/03/72/652470372.db2.gz BLMAXCOXKNEPQG-HBSPSFQMSA-N 1 0 392.297 2.003 20 0 GEADRO CN[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000662716625 652471123 /nfs/dbraw/zinc/47/11/23/652471123.db2.gz GRHJXGMDRHEBQN-INMHGKMJSA-N 1 0 386.323 2.312 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)c1ncc(Br)cc1Br ZINC000662715180 652471187 /nfs/dbraw/zinc/47/11/87/652471187.db2.gz PABCLVNHMZXFMI-UHFFFAOYSA-N 1 0 375.064 2.088 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662724319 652471547 /nfs/dbraw/zinc/47/15/47/652471547.db2.gz PLLNDDMOLGHWDR-HBSPSFQMSA-N 1 0 394.313 2.072 20 0 GEADRO Cc1c(C(=O)NCC23CC(C2)C[NH2+]3)cnn1-c1cccc(Br)c1 ZINC000662719596 652471566 /nfs/dbraw/zinc/47/15/66/652471566.db2.gz GXKBNAYWOIFJTQ-UHFFFAOYSA-N 1 0 375.270 2.425 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000662721781 652471594 /nfs/dbraw/zinc/47/15/94/652471594.db2.gz FALYMMSSRCDRMR-AAEPOTHZSA-N 1 0 382.291 2.466 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000662734409 652472362 /nfs/dbraw/zinc/47/23/62/652472362.db2.gz AHXSDMQWRFMLPD-HOTGVXAUSA-N 1 0 394.313 2.201 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)n1 ZINC000662748865 652472900 /nfs/dbraw/zinc/47/29/00/652472900.db2.gz DWODDIBHOVOUDD-UHFFFAOYSA-N 1 0 389.264 2.289 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc(C)c(Br)c2)CC1 ZINC000662744759 652472916 /nfs/dbraw/zinc/47/29/16/652472916.db2.gz HPQKAZJTXJBJLA-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO CCN(C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1)CC(F)(F)F ZINC000662748886 652472919 /nfs/dbraw/zinc/47/29/19/652472919.db2.gz FBLKDUVZBIKNHC-DGCLKSJQSA-N 1 0 375.357 2.261 20 0 GEADRO COc1cc(C[N@@H+]2CC[C@@H](NC(=S)NCC(F)(F)F)C2)cc(OC)c1 ZINC000755712325 652473015 /nfs/dbraw/zinc/47/30/15/652473015.db2.gz KDCBLTFGMDHJIW-GFCCVEGCSA-N 1 0 377.432 2.305 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCCOc2cccc(Cl)c2Cl)n1 ZINC000662750312 652473229 /nfs/dbraw/zinc/47/32/29/652473229.db2.gz AGXKHDJYJGEUMY-UHFFFAOYSA-N 1 0 385.251 2.423 20 0 GEADRO Cn1ncc2c1CCCN(C(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C2 ZINC000662761104 652473585 /nfs/dbraw/zinc/47/35/85/652473585.db2.gz NWSYKNZNTPRTIL-QGZVFWFLSA-N 1 0 377.286 2.332 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662772319 652473968 /nfs/dbraw/zinc/47/39/68/652473968.db2.gz OGAHHVUGJUHDEV-MPESAESLSA-N 1 0 380.286 2.132 20 0 GEADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C(F)(F)F ZINC000662783102 652474200 /nfs/dbraw/zinc/47/42/00/652474200.db2.gz INZYCENNVQHTCO-WOPDTQHZSA-N 1 0 396.207 2.318 20 0 GEADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC000662786241 652474347 /nfs/dbraw/zinc/47/43/47/652474347.db2.gz VJFRVQUVDUMNIV-HIFRSBDPSA-N 1 0 399.333 2.369 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000662787675 652474618 /nfs/dbraw/zinc/47/46/18/652474618.db2.gz AMBVYVTWEKQOHR-PWSUYJOCSA-N 1 0 381.192 2.448 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000662825260 652475822 /nfs/dbraw/zinc/47/58/22/652475822.db2.gz GWZKBUZCNBWQEL-LSDHHAIUSA-N 1 0 382.302 2.029 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628967857 652476443 /nfs/dbraw/zinc/47/64/43/652476443.db2.gz SKGHORYMXKSFBS-MRXNPFEDSA-N 1 0 394.313 2.312 20 0 GEADRO O=C(N1CCc2[nH]c3ccc(Br)cc3c2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662862314 652476560 /nfs/dbraw/zinc/47/65/60/652476560.db2.gz KGNKLFLFEANZGR-VOJFVSQTSA-N 1 0 390.281 2.051 20 0 GEADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000662859953 652476633 /nfs/dbraw/zinc/47/66/33/652476633.db2.gz YIRAAAHFRSHPSK-PVUWLOKVSA-N 1 0 383.286 2.116 20 0 GEADRO C[C@@H]1CSCCN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000583226941 652478134 /nfs/dbraw/zinc/47/81/34/652478134.db2.gz NRMVTKOBEPVMAI-BBRMVZONSA-N 1 0 383.945 2.270 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662926156 652478712 /nfs/dbraw/zinc/47/87/12/652478712.db2.gz XQPQGIOJXQXANP-UHFFFAOYSA-N 1 0 384.318 2.382 20 0 GEADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H](C)C[NH2+]C ZINC000662958532 652479417 /nfs/dbraw/zinc/47/94/17/652479417.db2.gz DXVCYWUHLMDZBJ-SWLSCSKDSA-N 1 0 399.333 2.141 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc(C)ccc2Br)CC1 ZINC000662943342 652479423 /nfs/dbraw/zinc/47/94/23/652479423.db2.gz RVVKPIHFPPBRFM-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000662942145 652479445 /nfs/dbraw/zinc/47/94/45/652479445.db2.gz DWQHDNIMSIMUJV-CQSZACIVSA-N 1 0 386.265 2.059 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)N2Cc3ccc(C)c(Br)c3C2)CC[C@@H]1[NH3+] ZINC000662993641 652480920 /nfs/dbraw/zinc/48/09/20/652480920.db2.gz PNLQEPDJMGEOIF-WFASDCNBSA-N 1 0 394.313 2.186 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000583312255 652480913 /nfs/dbraw/zinc/48/09/13/652480913.db2.gz VMDKXIPQDGQKGL-SOUVJXGZSA-N 1 0 382.302 2.055 20 0 GEADRO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Br)n1 ZINC000756018021 652484954 /nfs/dbraw/zinc/48/49/54/652484954.db2.gz REXOXSUHVQMTQW-BPLDGKMQSA-N 1 0 382.302 2.476 20 0 GEADRO O=C1C[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000663220585 652485651 /nfs/dbraw/zinc/48/56/51/652485651.db2.gz ITUMJJCYIDSZTK-XUJVJEKNSA-N 1 0 379.254 2.049 20 0 GEADRO Cc1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c(Br)n1 ZINC000756063615 652486738 /nfs/dbraw/zinc/48/67/38/652486738.db2.gz BBCUZHHGCKBOJA-UHFFFAOYSA-N 1 0 379.258 2.128 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCn2ccnc2C1)c1cccc(Br)c1 ZINC000583495439 652487350 /nfs/dbraw/zinc/48/73/50/652487350.db2.gz FMYIDZIRZIQNRZ-ZDUSSCGKSA-N 1 0 384.299 2.024 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000583500542 652487645 /nfs/dbraw/zinc/48/76/45/652487645.db2.gz FSWRXUIUEZAQMF-KGLIPLIRSA-N 1 0 391.317 2.246 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)C[C@@H]1C ZINC000756180070 652491590 /nfs/dbraw/zinc/49/15/90/652491590.db2.gz PJPHFHDSBHTJIJ-RYUDHWBXSA-N 1 0 389.905 2.015 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)C[C@@H]1C ZINC000756180069 652491602 /nfs/dbraw/zinc/49/16/02/652491602.db2.gz PJPHFHDSBHTJIJ-NWDGAFQWSA-N 1 0 389.905 2.015 20 0 GEADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000663309732 652493064 /nfs/dbraw/zinc/49/30/64/652493064.db2.gz CWSSDOJFXHKGIR-JTQLQIEISA-N 1 0 375.210 2.268 20 0 GEADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000663310527 652493082 /nfs/dbraw/zinc/49/30/82/652493082.db2.gz HZKIKZMUQLZUKP-JTQLQIEISA-N 1 0 375.210 2.268 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1Br ZINC000629353681 652493084 /nfs/dbraw/zinc/49/30/84/652493084.db2.gz MHYKJHGBTSYBNF-JYAVWHMHSA-N 1 0 389.315 2.028 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC[C@H]1C(F)(F)F ZINC000629561912 652493522 /nfs/dbraw/zinc/49/35/22/652493522.db2.gz LISBUXYTAGTCLV-GRYCIOLGSA-N 1 0 375.357 2.246 20 0 GEADRO CS(=O)(=O)c1ccc(OCCN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cc1 ZINC000629582755 652494281 /nfs/dbraw/zinc/49/42/81/652494281.db2.gz IHFSRLIWGNKSMC-WFASDCNBSA-N 1 0 380.432 2.071 20 0 GEADRO COc1ncc(Br)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591930 652494568 /nfs/dbraw/zinc/49/45/68/652494568.db2.gz UHDJXFBYJJDHKK-MRXNPFEDSA-N 1 0 384.318 2.443 20 0 GEADRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000629602254 652495178 /nfs/dbraw/zinc/49/51/78/652495178.db2.gz HZECJPDJKQTAPK-OAHLLOKOSA-N 1 0 399.329 2.427 20 0 GEADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000629821739 652495456 /nfs/dbraw/zinc/49/54/56/652495456.db2.gz KHMXLKWSAADHEB-JSGCOSHPSA-N 1 0 396.329 2.349 20 0 GEADRO CC(C)[C@H](CNc1nnc2ccc(Br)cn21)[NH+]1CCN(C)CC1 ZINC000663377170 652495845 /nfs/dbraw/zinc/49/58/45/652495845.db2.gz PWRCJZYUFRPERG-AWEZNQCLSA-N 1 0 381.322 2.176 20 0 GEADRO C[N@H+](CC(=O)NCc1nnc(-c2ccc(Br)cc2)[n-]1)C1CCC1 ZINC000629955410 652500153 /nfs/dbraw/zinc/50/01/53/652500153.db2.gz AAVMHCVLNRWOAG-UHFFFAOYSA-N 1 0 378.274 2.335 20 0 GEADRO [NH3+]C1(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CCCCCC1 ZINC000583872707 652500818 /nfs/dbraw/zinc/50/08/18/652500818.db2.gz YVMHQXLNFCFSPS-UHFFFAOYSA-N 1 0 387.933 2.176 20 0 GEADRO O[C@H](C[NH2+]Cc1c(Br)cncc1Br)[C@@H]1CCOC1 ZINC000583877782 652501150 /nfs/dbraw/zinc/50/11/50/652501150.db2.gz XXEXWPLMVFLVFG-PRHODGIISA-N 1 0 380.080 2.094 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000663575401 652504239 /nfs/dbraw/zinc/50/42/39/652504239.db2.gz MAFAACXSVSOMIC-HNNXBMFYSA-N 1 0 393.333 2.098 20 0 GEADRO 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CCN(c1ccc(Cl)c(F)c1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632304111 652555617 /nfs/dbraw/zinc/55/56/17/652555617.db2.gz JQWUFXVAZHTZCY-UHFFFAOYSA-N 1 0 377.913 2.273 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccc(Br)o1 ZINC000665638049 652555766 /nfs/dbraw/zinc/55/57/66/652555766.db2.gz XKJJPKBWYOQNOS-ZDUSSCGKSA-N 1 0 389.338 2.456 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000632368154 652559305 /nfs/dbraw/zinc/55/93/05/652559305.db2.gz CRZZDGIMQOWPRJ-GUTXKFCHSA-N 1 0 390.933 2.467 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)N[C@H](CO)C[NH+]1CCCCC1 ZINC000665888193 652561821 /nfs/dbraw/zinc/56/18/21/652561821.db2.gz DRGNFEFXDMBAIY-HNNXBMFYSA-N 1 0 387.293 2.484 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ncsc2Br)C1 ZINC000632429759 652563367 /nfs/dbraw/zinc/56/33/67/652563367.db2.gz SEGDOTFSDWYQFI-SNVBAGLBSA-N 1 0 382.349 2.150 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cscc2Cl)c1 ZINC000632481185 652566594 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C[NH+](C)C[C@H](CO)Nc1nc(C(F)(F)F)ccc1I ZINC000596240838 652755273 /nfs/dbraw/zinc/75/52/73/652755273.db2.gz ADVIASKSPVQULJ-SSDOTTSWSA-N 1 0 389.159 2.039 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(F)cc1I ZINC000596785397 652763659 /nfs/dbraw/zinc/76/36/59/652763659.db2.gz MLEHEXQDHLCGPN-UHFFFAOYSA-N 1 0 377.201 2.456 20 0 GEADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000636009176 652773802 /nfs/dbraw/zinc/77/38/02/652773802.db2.gz XGOFJJDTKZNGQL-ZIAGYGMSSA-N 1 0 387.293 2.197 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000636048254 652776435 /nfs/dbraw/zinc/77/64/35/652776435.db2.gz XADZZBSHXFBAMP-GJZGRUSLSA-N 1 0 397.313 2.278 20 0 GEADRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000597244934 652777380 /nfs/dbraw/zinc/77/73/80/652777380.db2.gz KGZLRPFLIPCFIN-CTYIDZIISA-N 1 0 383.286 2.327 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000671105064 652778593 /nfs/dbraw/zinc/77/85/93/652778593.db2.gz NQXRTIABWYPEDS-VBNZEHGJSA-N 1 0 394.313 2.369 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000671158893 652782236 /nfs/dbraw/zinc/78/22/36/652782236.db2.gz ARUMLADXKBDHNE-LBPRGKRZSA-N 1 0 388.331 2.116 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000764187549 652788746 /nfs/dbraw/zinc/78/87/46/652788746.db2.gz NWKWMLVMPVGNJH-GHMZBOCLSA-N 1 0 391.896 2.119 20 0 GEADRO C[N@H+](CC(=O)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1)[C@H]1CCSC1 ZINC000764219255 652791633 /nfs/dbraw/zinc/79/16/33/652791633.db2.gz LLVYYSGHPRDZDD-JSGCOSHPSA-N 1 0 381.571 2.045 20 0 GEADRO O=C(Nc1cc(-c2ccccc2Br)no1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000764233136 652792228 /nfs/dbraw/zinc/79/22/28/652792228.db2.gz KLGZSYHMYOCIMZ-OAHLLOKOSA-N 1 0 391.269 2.433 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000764268680 652793809 /nfs/dbraw/zinc/79/38/09/652793809.db2.gz NMSHICXFNVSPBH-NSHDSACASA-N 1 0 398.276 2.078 20 0 GEADRO CCN(C(=O)COc1cccc(I)c1)[C@H]1CC[N@H+](C)C1 ZINC000597947596 652794077 /nfs/dbraw/zinc/79/40/77/652794077.db2.gz ZNWSKGKOCYKCKK-ZDUSSCGKSA-N 1 0 388.249 2.223 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCc1csc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000636583990 652809461 /nfs/dbraw/zinc/80/94/61/652809461.db2.gz QLMAZWICFBQZRQ-NSHDSACASA-N 1 0 377.432 2.231 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCO[C@H](C(F)F)CC1 ZINC000636587880 652809716 /nfs/dbraw/zinc/80/97/16/652809716.db2.gz OPXPDJUAPAJVNN-AWEZNQCLSA-N 1 0 377.501 2.414 20 0 GEADRO COC[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)C(C)C ZINC000671766050 652812071 /nfs/dbraw/zinc/81/20/71/652812071.db2.gz OKFGZQGKOJYQGE-AWEZNQCLSA-N 1 0 393.347 2.378 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccc(Br)cc1 ZINC000671819984 652815969 /nfs/dbraw/zinc/81/59/69/652815969.db2.gz XIZHKMYPJFZSAM-JGGQBBKZSA-N 1 0 394.313 2.179 20 0 GEADRO CC[C@@H](C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1)[NH+](C)C ZINC000598543792 652820878 /nfs/dbraw/zinc/82/08/78/652820878.db2.gz LVZOXZDFDLLSLO-VIFPVBQESA-N 1 0 375.288 2.480 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(I)c[nH]1 ZINC000598559483 652821830 /nfs/dbraw/zinc/82/18/30/652821830.db2.gz ICRBGAXMTQGMHU-GFCCVEGCSA-N 1 0 387.265 2.471 20 0 GEADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)COc1cccc(I)c1)C2 ZINC000598667852 652827470 /nfs/dbraw/zinc/82/74/70/652827470.db2.gz NFUVDJAKMSMDAV-XHDPSFHLSA-N 1 0 386.233 2.010 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598682484 652827655 /nfs/dbraw/zinc/82/76/55/652827655.db2.gz NMGDTJKJZJSGAY-HSMVNMDESA-N 1 0 399.276 2.431 20 0 GEADRO CS[C@H]1CN(C(=O)c2cc(Br)c[nH]c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000598696769 652829065 /nfs/dbraw/zinc/82/90/65/652829065.db2.gz YDWMIAVFKNBAKV-STQMWFEESA-N 1 0 386.315 2.202 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000636914552 652829197 /nfs/dbraw/zinc/82/91/97/652829197.db2.gz LYJYMCFZINSPRZ-NSHDSACASA-N 1 0 398.237 2.461 20 0 GEADRO CC(C)(C)Oc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ncc1Br ZINC000672207532 652830332 /nfs/dbraw/zinc/83/03/32/652830332.db2.gz RFYGALKBQDPAPW-ZIAGYGMSSA-N 1 0 399.333 2.452 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCN(c2cccc(Br)c2)CC1 ZINC000636988707 652833992 /nfs/dbraw/zinc/83/39/92/652833992.db2.gz LNSSTNWSOPZVRH-OAHLLOKOSA-N 1 0 381.318 2.423 20 0 GEADRO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000765268496 652834337 /nfs/dbraw/zinc/83/43/37/652834337.db2.gz ITHAWZFNLYBLQX-MJBXVCDLSA-N 1 0 391.603 2.137 20 0 GEADRO Cc1occc1C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765397587 652838044 /nfs/dbraw/zinc/83/80/44/652838044.db2.gz RMEGPBVLFNFFSP-LBPRGKRZSA-N 1 0 386.495 2.164 20 0 GEADRO COCC[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637126027 652840640 /nfs/dbraw/zinc/84/06/40/652840640.db2.gz JOHRBTVHCPJLHD-CJNGLKHVSA-N 1 0 390.311 2.437 20 0 GEADRO CC1(C)CN(C(=O)NCc2ccc(Br)s2)CC[N@@H+]1CCO ZINC000672739792 652841859 /nfs/dbraw/zinc/84/18/59/652841859.db2.gz GBLZRRGUAJVINZ-UHFFFAOYSA-N 1 0 376.320 2.109 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C ZINC000765513470 652842340 /nfs/dbraw/zinc/84/23/40/652842340.db2.gz RQOODHYNCBXWIA-ZIAGYGMSSA-N 1 0 384.571 2.048 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC000765552363 652843632 /nfs/dbraw/zinc/84/36/32/652843632.db2.gz JPWXDKSROQKOGH-GFCCVEGCSA-N 1 0 376.810 2.497 20 0 GEADRO O=C(NCCc1ccc(Br)cc1Cl)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637175356 652844831 /nfs/dbraw/zinc/84/48/31/652844831.db2.gz DBVUUBPBGMIBDA-CYBMUJFWSA-N 1 0 390.709 2.011 20 0 GEADRO CNC(=O)C[C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637199178 652845842 /nfs/dbraw/zinc/84/58/42/652845842.db2.gz FKRVPYPRISLSTG-HZMBPMFUSA-N 1 0 375.300 2.420 20 0 GEADRO CC[N@@H+]1CCN(C(=O)Nc2cccc(C(=O)NC)c2Br)C[C@H]1C ZINC000672835198 652845950 /nfs/dbraw/zinc/84/59/50/652845950.db2.gz WTVVUYBHLDIEBF-LLVKDONJSA-N 1 0 383.290 2.367 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCc2cccc(Br)c2)[C@@H](C)C1 ZINC000672847540 652846683 /nfs/dbraw/zinc/84/66/83/652846683.db2.gz ZPPXHFTWEQCUCL-GJZGRUSLSA-N 1 0 398.345 2.478 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000599089736 652848598 /nfs/dbraw/zinc/84/85/98/652848598.db2.gz WLERAHFQDADOFL-HNNXBMFYSA-N 1 0 383.286 2.486 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000599111762 652850956 /nfs/dbraw/zinc/85/09/56/652850956.db2.gz SUXQVHQEMBDUMK-CALCHBBNSA-N 1 0 386.901 2.055 20 0 GEADRO COC(=O)c1cc(NCC[N@@H+]2CC[C@@H](O)C2)c2cc(Br)ccc2n1 ZINC000599176757 652852412 /nfs/dbraw/zinc/85/24/12/652852412.db2.gz WTFUFXKASHBAEQ-GFCCVEGCSA-N 1 0 394.269 2.262 20 0 GEADRO C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1cc(F)c(Br)cc1F ZINC000637370097 652853763 /nfs/dbraw/zinc/85/37/63/652853763.db2.gz LUZYOKDCNNCXOI-PSLIRLAXSA-N 1 0 394.260 2.400 20 0 GEADRO C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1cc(F)c(Br)cc1F ZINC000637370099 652853775 /nfs/dbraw/zinc/85/37/75/652853775.db2.gz LUZYOKDCNNCXOI-VFZGTOFNSA-N 1 0 394.260 2.400 20 0 GEADRO CCCN(C(=O)NCc1cc(Br)cnc1OC)[C@H]1CC[N@H+](C)C1 ZINC000637404115 652855652 /nfs/dbraw/zinc/85/56/52/652855652.db2.gz AJNUUMVKLWDWOC-AWEZNQCLSA-N 1 0 385.306 2.478 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000637405291 652856092 /nfs/dbraw/zinc/85/60/92/652856092.db2.gz MQAWHXGJCJXMJU-CQSZACIVSA-N 1 0 385.306 2.477 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000637407108 652856964 /nfs/dbraw/zinc/85/69/64/652856964.db2.gz RMXLBWXXDCARDA-UHFFFAOYSA-N 1 0 385.306 2.336 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1COCC[C@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000637473384 652862293 /nfs/dbraw/zinc/86/22/93/652862293.db2.gz PKDJVDJVAURDCS-RBSFLKMASA-N 1 0 376.284 2.045 20 0 GEADRO CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C(=O)NC ZINC000637474790 652862848 /nfs/dbraw/zinc/86/28/48/652862848.db2.gz RHHQKCOOCDBGKT-KGLIPLIRSA-N 1 0 375.300 2.420 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000673420370 652863313 /nfs/dbraw/zinc/86/33/13/652863313.db2.gz OJEDBQCHZZMNCK-TZMCWYRMSA-N 1 0 397.317 2.010 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000673428188 652863409 /nfs/dbraw/zinc/86/34/09/652863409.db2.gz JLZCGXOMHFEOTF-UHFFFAOYSA-N 1 0 375.270 2.413 20 0 GEADRO O=C1c2ccc(Br)cc2C(=O)N1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000766070159 652865233 /nfs/dbraw/zinc/86/52/33/652865233.db2.gz QNOOVCUOAJATHC-ZDUSSCGKSA-N 1 0 378.270 2.173 20 0 GEADRO CSCC[C@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766083039 652865993 /nfs/dbraw/zinc/86/59/93/652865993.db2.gz JWYYZCGXWJJQQJ-STQMWFEESA-N 1 0 394.584 2.204 20 0 GEADRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000673524085 652867513 /nfs/dbraw/zinc/86/75/13/652867513.db2.gz OTMMFWOLEYTPCA-LBPRGKRZSA-N 1 0 381.885 2.306 20 0 GEADRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000673519780 652867521 /nfs/dbraw/zinc/86/75/21/652867521.db2.gz BGAYKMZKMHPEKG-CYBMUJFWSA-N 1 0 383.901 2.336 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000673561249 652869676 /nfs/dbraw/zinc/86/96/76/652869676.db2.gz OOSQVAXUYOEJPC-UHFFFAOYSA-N 1 0 389.905 2.023 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](CCc2cn(C)nn2)C[C@H]1c1ccc(Br)cc1 ZINC000599440623 652871821 /nfs/dbraw/zinc/87/18/21/652871821.db2.gz XUFKQQFCGBCKIX-JKSUJKDBSA-N 1 0 393.285 2.009 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000637753649 652872419 /nfs/dbraw/zinc/87/24/19/652872419.db2.gz RCRZTGLCPVYYLQ-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO COc1cc(CN(CCO)C2CC[NH+](C)CC2)c(F)cc1Br ZINC000637813552 652874146 /nfs/dbraw/zinc/87/41/46/652874146.db2.gz CJTBZHSFJQOCPI-UHFFFAOYSA-N 1 0 375.282 2.485 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637815613 652874359 /nfs/dbraw/zinc/87/43/59/652874359.db2.gz HTIORPTZMJHHHQ-HZPDHXFCSA-N 1 0 394.313 2.198 20 0 GEADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc2c(Br)cccc12 ZINC000637811843 652874364 /nfs/dbraw/zinc/87/43/64/652874364.db2.gz XQVAYKAJQHMBLN-UHFFFAOYSA-N 1 0 390.281 2.106 20 0 GEADRO O=C(C1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1)N1CCCC1 ZINC000637880819 652876500 /nfs/dbraw/zinc/87/65/00/652876500.db2.gz CCWBFVHCADZFTM-UHFFFAOYSA-N 1 0 392.301 2.326 20 0 GEADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599628224 652881013 /nfs/dbraw/zinc/88/10/13/652881013.db2.gz QTEJIXSRMLHEDJ-HNNXBMFYSA-N 1 0 390.311 2.207 20 0 GEADRO C[N@H+](CCCOc1cccc(I)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643693 652882057 /nfs/dbraw/zinc/88/20/57/652882057.db2.gz DLOVTLHFMOUDDM-BJHJDKERSA-N 1 0 388.249 2.256 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1Br ZINC000674074414 652882360 /nfs/dbraw/zinc/88/23/60/652882360.db2.gz JKADLRVYKWLDKY-UHFFFAOYSA-N 1 0 379.320 2.420 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1C ZINC000766518808 652884111 /nfs/dbraw/zinc/88/41/11/652884111.db2.gz 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ZINC000638401229 652888018 /nfs/dbraw/zinc/88/80/18/652888018.db2.gz QXPAZUAAANFISM-AWEZNQCLSA-N 1 0 382.302 2.461 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)s1 ZINC000638438120 652889727 /nfs/dbraw/zinc/88/97/27/652889727.db2.gz ZUVUQCGOXKHAAF-UONOGXRCSA-N 1 0 387.571 2.316 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cc(Cl)c(Br)cc1F ZINC000638475660 652890733 /nfs/dbraw/zinc/89/07/33/652890733.db2.gz CMZZZZSLODBQGP-LBPRGKRZSA-N 1 0 380.645 2.280 20 0 GEADRO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000674231567 652891259 /nfs/dbraw/zinc/89/12/59/652891259.db2.gz GQZVEHCJEQGBNR-CABCVRRESA-N 1 0 389.323 2.387 20 0 GEADRO CO[C@@H](C[NH2+]CCCNC(=O)c1ccc(Br)cc1)[C@@H]1CCOC1 ZINC000638488940 652891322 /nfs/dbraw/zinc/89/13/22/652891322.db2.gz JDSBQVGLTFXKPH-ZBFHGGJFSA-N 1 0 385.302 2.210 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000638503406 652891792 /nfs/dbraw/zinc/89/17/92/652891792.db2.gz 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COc1ccc(C[C@@H](CO)C[NH2+]C[C@@]2(OC)CCOC2)cc1Br ZINC000639246573 652927882 /nfs/dbraw/zinc/92/78/82/652927882.db2.gz RZKAALVHGSHXQL-PBHICJAKSA-N 1 0 388.302 2.004 20 0 GEADRO CO[C@H](C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)[C@H]1CCOC1 ZINC000639251245 652928634 /nfs/dbraw/zinc/92/86/34/652928634.db2.gz ILLSQFJARSRGOF-GDZNZVCISA-N 1 0 390.293 2.380 20 0 GEADRO Brc1cnc2c(C[N@@H+]3CCC[C@@H](N4CCOCC4)CC3)cnn2c1 ZINC000639302260 652931331 /nfs/dbraw/zinc/93/13/31/652931331.db2.gz KYRHXSGJYOLRTF-MRXNPFEDSA-N 1 0 394.317 2.179 20 0 GEADRO CO[C@](C)(C[NH2+]Cc1ccc(S(N)(=O)=O)s1)COCc1ccccc1 ZINC000639308354 652931647 /nfs/dbraw/zinc/93/16/47/652931647.db2.gz NEPSWLZYYFSSQH-QGZVFWFLSA-N 1 0 384.523 2.107 20 0 GEADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639317724 652931674 /nfs/dbraw/zinc/93/16/74/652931674.db2.gz SSAFSTWUIYRKFW-INIZCTEOSA-N 1 0 379.551 2.144 20 0 GEADRO COc1nsc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1Br ZINC000639327433 652932627 /nfs/dbraw/zinc/93/26/27/652932627.db2.gz KOUFISJMMNZEGK-LLVKDONJSA-N 1 0 376.320 2.257 20 0 GEADRO C[N@H+](C[C@H](O)CC1(O)CCOCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000639459304 652937827 /nfs/dbraw/zinc/93/78/27/652937827.db2.gz IJSDQUDAWJYXJM-DQYPLSBCSA-N 1 0 390.307 2.176 20 0 GEADRO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H](O)CC1(O)CCOCC1 ZINC000639666233 652947938 /nfs/dbraw/zinc/94/79/38/652947938.db2.gz LELLPNVCQRJZOX-OAHLLOKOSA-N 1 0 375.868 2.220 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000639762935 652951872 /nfs/dbraw/zinc/95/18/72/652951872.db2.gz ATIGVGDVIRPCHL-KRWDZBQOSA-N 1 0 395.301 2.388 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765292 652952648 /nfs/dbraw/zinc/95/26/48/652952648.db2.gz IILBYMRFSAGZSP-KRWDZBQOSA-N 1 0 381.318 2.224 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000676206277 652957384 /nfs/dbraw/zinc/95/73/84/652957384.db2.gz SQPDRGJPNCWSAX-YUELXQCFSA-N 1 0 385.555 2.050 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000601293136 653084929 /nfs/dbraw/zinc/08/49/29/653084929.db2.gz BFXYYRDYEOHQSX-MJVIPROJSA-N 1 0 399.285 2.319 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000601294308 653085242 /nfs/dbraw/zinc/08/52/42/653085242.db2.gz PHOZQRPOYFDSGV-UTLUCORTSA-N 1 0 375.238 2.305 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000601294135 653085309 /nfs/dbraw/zinc/08/53/09/653085309.db2.gz NYMIGAIFRCEXEF-MYTXZNPBSA-N 1 0 383.286 2.351 20 0 GEADRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000639922051 653088995 /nfs/dbraw/zinc/08/89/95/653088995.db2.gz VGCWFBIHYJKALY-NSHDSACASA-N 1 0 379.295 2.302 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000676337843 653094736 /nfs/dbraw/zinc/09/47/36/653094736.db2.gz CNKQTTFIHXUSKJ-CABCVRRESA-N 1 0 389.949 2.023 20 0 GEADRO CC(C)(C)OC(=O)NCC[N@H+](CCO)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000767922879 653095695 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20 0 GEADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000771394042 653108774 /nfs/dbraw/zinc/10/87/74/653108774.db2.gz GNNHZOOPLPDEKP-RYUDHWBXSA-N 1 0 379.917 2.438 20 0 GEADRO COc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(I)c1 ZINC000601559359 653111434 /nfs/dbraw/zinc/11/14/34/653111434.db2.gz PAOYNRKEEPFIOA-AOOOYVTPSA-N 1 0 387.221 2.268 20 0 GEADRO COc1ccc(I)c(NC(=O)N2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000601558833 653111492 /nfs/dbraw/zinc/11/14/92/653111492.db2.gz KSUZTESFIJBGME-RKDXNWHRSA-N 1 0 375.210 2.253 20 0 GEADRO C[NH+](C)CCCNC(=S)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000771549859 653114971 /nfs/dbraw/zinc/11/49/71/653114971.db2.gz WBLIKGNHCXKORT-ZDUSSCGKSA-N 1 0 376.448 2.380 20 0 GEADRO C[C@H](NC(=O)Nc1nn(C)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000640311804 653115687 /nfs/dbraw/zinc/11/56/87/653115687.db2.gz ICKLUIHULRENSJ-NWDGAFQWSA-N 1 0 384.322 2.957 20 0 GEADRO C[C@@H](NC(=O)Nc1nn(C)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000640311803 653115757 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O=C(Cn1cc(C[C@H]2CC[NH2+]C2)nn1)NCCc1cccc(Cl)c1Cl ZINC000640982025 653148362 /nfs/dbraw/zinc/14/83/62/653148362.db2.gz FCCQKDHDTDDKIE-GFCCVEGCSA-N 1 0 382.295 2.096 20 0 GEADRO COc1ccc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c(Br)c1OC ZINC000640989627 653148958 /nfs/dbraw/zinc/14/89/58/653148958.db2.gz MLBDMLOQJKXGQY-NSHDSACASA-N 1 0 381.274 2.258 20 0 GEADRO CCOC(=O)[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1ccc(OC)c(Br)c1 ZINC000602142487 653150731 /nfs/dbraw/zinc/15/07/31/653150731.db2.gz KKYXELLDFYLEQL-YGRLFVJLSA-N 1 0 387.274 2.128 20 0 GEADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cnc(Cl)n1C ZINC000769390257 653150932 /nfs/dbraw/zinc/15/09/32/653150932.db2.gz RIZQGDQOJUXHAI-HIFRSBDPSA-N 1 0 380.901 2.379 20 0 GEADRO [NH3+][C@@H](c1cn(CCOC[C@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000641060063 653153503 /nfs/dbraw/zinc/15/35/03/653153503.db2.gz DJHLKQLMKYKVRI-GDBMZVCRSA-N 1 0 381.274 2.284 20 0 GEADRO [NH3+]CCCCc1cn(Cc2nc(-c3ccc(Br)s3)no2)nn1 ZINC000641048487 653153625 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GEADRO C[C@H](NC(=O)C[NH2+][C@H](CO)C1CCOCC1)c1ccc(Br)cc1 ZINC000679871642 653156625 /nfs/dbraw/zinc/15/66/25/653156625.db2.gz GYGCPSILRIYDGS-BLLLJJGKSA-N 1 0 385.302 2.003 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)c2cnc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000769438876 653157322 /nfs/dbraw/zinc/15/73/22/653157322.db2.gz JLATUQLHINIATL-DZGCQCFKSA-N 1 0 382.917 2.405 20 0 GEADRO COC[C@@H]([NH3+])Cc1cn([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nn1 ZINC000641107609 653157385 /nfs/dbraw/zinc/15/73/85/653157385.db2.gz HZSQDGRBOYZFMR-BONVTDFDSA-N 1 0 384.267 2.079 20 0 GEADRO O=C(NCc1cn(CCc2cc(Cl)ccc2Cl)nn1)C1CC[NH2+]CC1 ZINC000641113863 653158548 /nfs/dbraw/zinc/15/85/48/653158548.db2.gz LUJYZZNAAUDASL-UHFFFAOYSA-N 1 0 382.295 2.443 20 0 GEADRO CCN(CC(F)(F)F)C(=O)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641125392 653159879 /nfs/dbraw/zinc/15/98/79/653159879.db2.gz OIQFPBAJLGVPRP-CQSZACIVSA-N 1 0 375.782 2.390 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2nc3cc(Br)ccc3o2)nn1)[C@H]1CCCO1 ZINC000641130704 653161047 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CC(C)COC[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641202570 653169660 /nfs/dbraw/zinc/16/96/60/653169660.db2.gz MXRBSFNBORVDLJ-GDBMZVCRSA-N 1 0 383.290 2.122 20 0 GEADRO CC(C)COC[C@@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641202574 653169808 /nfs/dbraw/zinc/16/98/08/653169808.db2.gz MXRBSFNBORVDLJ-GOEBONIOSA-N 1 0 383.290 2.122 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000772874308 653169958 /nfs/dbraw/zinc/16/99/58/653169958.db2.gz BSQFAMDXPBPFNT-HUUCEWRRSA-N 1 0 377.551 2.084 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cn(C)cc(Br)c2=O)[C@@H](C)C1 ZINC000680844367 653171098 /nfs/dbraw/zinc/17/10/98/653171098.db2.gz FZKMKVGVAFISQU-SMDDNHRTSA-N 1 0 385.306 2.342 20 0 GEADRO CCC[C@H]([NH3+])c1cn(C[C@@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641228282 653171170 /nfs/dbraw/zinc/17/11/70/653171170.db2.gz GCSMYVUCFLOOKG-OCCSQVGLSA-N 1 0 387.253 2.420 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cn(C)cc(Br)c2=O)[C@@H](C)C1 ZINC000680844363 653171215 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COc1cc(CS(=O)(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)sn1 ZINC000641292143 653180093 /nfs/dbraw/zinc/18/00/93/653180093.db2.gz IKYLBTFCAVINBS-ZFWWWQNUSA-N 1 0 381.523 2.407 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC[NH2+]CC1 ZINC000602444257 653181480 /nfs/dbraw/zinc/18/14/80/653181480.db2.gz DMSDQDBKNPBGFZ-XMMPIXPASA-N 1 0 384.914 2.298 20 0 GEADRO C[S@](=O)C1(C(=O)NCCCc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000602454097 653182509 /nfs/dbraw/zinc/18/25/09/653182509.db2.gz OMGXFKWEJIROFI-VWLOTQADSA-N 1 0 376.444 2.255 20 0 GEADRO C[C@@H](NC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000602456277 653182584 /nfs/dbraw/zinc/18/25/84/653182584.db2.gz WYUXXRLYOLUWMW-SHZVTRLKSA-N 1 0 377.535 2.488 20 0 GEADRO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602464312 653183587 /nfs/dbraw/zinc/18/35/87/653183587.db2.gz FALJMTSCRINYFF-RUZDIDTESA-N 1 0 378.416 2.044 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2cccc(OCc3cscn3)c2)CC[NH2+]CC1 ZINC000602476650 653184882 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Cc1cc(Br)ncc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000807354579 653191266 /nfs/dbraw/zinc/19/12/66/653191266.db2.gz LUZCMGTXVUMQRJ-QWHCGFSZSA-N 1 0 395.301 2.176 20 0 GEADRO CC[C@H]([NH2+]Cc1ccc(I)s1)C(=O)N1CCOCC1 ZINC000602565523 653191356 /nfs/dbraw/zinc/19/13/56/653191356.db2.gz RRUMZGBOOJUNCL-NSHDSACASA-N 1 0 394.278 2.080 20 0 GEADRO O=C(NCc1cccc2c1CC[NH2+]C2)c1cc(I)c[nH]1 ZINC000602585147 653192198 /nfs/dbraw/zinc/19/21/98/653192198.db2.gz NXBBMYTWONEYIW-UHFFFAOYSA-N 1 0 381.217 2.195 20 0 GEADRO C[NH+](C)Cc1ccnc(NC(=O)c2nccn3c(Br)cnc23)c1 ZINC000769949617 653192294 /nfs/dbraw/zinc/19/22/94/653192294.db2.gz SUPVOQUUBUTDEE-UHFFFAOYSA-N 1 0 375.230 2.201 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)CCC(=O)c1ccc(I)cc1 ZINC000602596924 653193074 /nfs/dbraw/zinc/19/30/74/653193074.db2.gz TTWUAZSQZLIQOK-GWCFXTLKSA-N 1 0 386.233 2.202 20 0 GEADRO C[S@@](=O)C1(C(=O)NCc2c(Cl)cccc2OC(F)F)CC[NH2+]CC1 ZINC000602604325 653194003 /nfs/dbraw/zinc/19/40/03/653194003.db2.gz OAMDQCUNGGYBFL-XMMPIXPASA-N 1 0 380.844 2.058 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[nH]c(=O)c2c1C ZINC000602605595 653194368 /nfs/dbraw/zinc/19/43/68/653194368.db2.gz SHVLMIDBOFBSQT-SRVKXCTJSA-N 1 0 378.523 2.208 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC[NH2+]1 ZINC000641404493 653200649 /nfs/dbraw/zinc/20/06/49/653200649.db2.gz IMJGAYMPHAZIAT-MFKMUULPSA-N 1 0 394.273 2.439 20 0 GEADRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602717678 653202408 /nfs/dbraw/zinc/20/24/08/653202408.db2.gz QDHUIANVAQFEMQ-XXSPCDMZSA-N 1 0 379.258 2.169 20 0 GEADRO CC1(C)CN(C(=O)CCc2cc(Br)cs2)CC[N@@H+]1CCO ZINC000682010854 653203200 /nfs/dbraw/zinc/20/32/00/653203200.db2.gz HKUFYXDGMVOZIR-UHFFFAOYSA-N 1 0 375.332 2.358 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000641423614 653203711 /nfs/dbraw/zinc/20/37/11/653203711.db2.gz CNHUXKMQCMXDPT-CYBMUJFWSA-N 1 0 383.334 2.402 20 0 GEADRO C[C@H]([NH3+])CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000641423615 653203884 /nfs/dbraw/zinc/20/38/84/653203884.db2.gz CNHUXKMQCMXDPT-ZDUSSCGKSA-N 1 0 383.334 2.402 20 0 GEADRO Cc1cc(NC(=O)[C@@H](C)N2CC[N@H+](CCO)C(C)(C)C2)ccc1Br ZINC000682033327 653204285 /nfs/dbraw/zinc/20/42/85/653204285.db2.gz PCACEHOROIVZBY-CQSZACIVSA-N 1 0 398.345 2.473 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682036386 653205377 /nfs/dbraw/zinc/20/53/77/653205377.db2.gz SOAJMFDFJMYHMG-CYBMUJFWSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682034986 653205399 /nfs/dbraw/zinc/20/53/99/653205399.db2.gz ORFYLPUPUGVEPN-ZDUSSCGKSA-N 1 0 384.318 2.165 20 0 GEADRO Cn1cc(I)c(C(=O)NCc2ccccc2C[NH+](C)C)n1 ZINC000602766948 653205769 /nfs/dbraw/zinc/20/57/69/653205769.db2.gz HDBFKVXIDZXCNL-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO C[C@@]1(CS(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1(F)F ZINC000641437352 653205981 /nfs/dbraw/zinc/20/59/81/653205981.db2.gz KYGNQMIYZNKIRT-INIZCTEOSA-N 1 0 380.501 2.186 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000773551606 653206103 /nfs/dbraw/zinc/20/61/03/653206103.db2.gz JRRPGOHUJOBTOP-UHFFFAOYSA-N 1 0 379.258 2.390 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000682355687 653208404 /nfs/dbraw/zinc/20/84/04/653208404.db2.gz RBYLMOJPDXBZOR-LBPRGKRZSA-N 1 0 398.301 2.385 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1nn(C)cc1I ZINC000602853669 653209690 /nfs/dbraw/zinc/20/96/90/653209690.db2.gz KVPYZPOTMWWJGB-PHIMTYICSA-N 1 0 390.269 2.017 20 0 GEADRO C[C@@H](NC(=O)c1cccnc1I)C(C)(C)C[NH+](C)C ZINC000770501066 653215231 /nfs/dbraw/zinc/21/52/31/653215231.db2.gz BDDNFKVGHIDXHE-SNVBAGLBSA-N 1 0 375.254 2.392 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1CS(=O)(=O)C1 ZINC000682498877 653215547 /nfs/dbraw/zinc/21/55/47/653215547.db2.gz QEZAPSDNKYJKMY-LLVKDONJSA-N 1 0 389.315 2.191 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCc2cc(Br)c(Cl)cc21 ZINC000682570567 653218039 /nfs/dbraw/zinc/21/80/39/653218039.db2.gz YACZBVSPHJIICV-OAHLLOKOSA-N 1 0 384.705 2.382 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1nc(Br)nc1Br ZINC000808189864 653221648 /nfs/dbraw/zinc/22/16/48/653221648.db2.gz BLDXZKGBJDPKRY-VHSXEESVSA-N 1 0 393.127 2.319 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000808191586 653221881 /nfs/dbraw/zinc/22/18/81/653221881.db2.gz OFOWRYWXLVVOME-WFASDCNBSA-N 1 0 392.297 2.495 20 0 GEADRO COC(=O)C[C@]1([NH2+]Cc2ccc(I)cc2)CCCOC1 ZINC000770712172 653221971 /nfs/dbraw/zinc/22/19/71/653221971.db2.gz WYHAZBQWYQAZLX-OAHLLOKOSA-N 1 0 389.233 2.493 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000774077942 653223442 /nfs/dbraw/zinc/22/34/42/653223442.db2.gz JCNGBBQFOMQDFP-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000641623442 653224777 /nfs/dbraw/zinc/22/47/77/653224777.db2.gz KKVDEQZHSGRLPA-WCQYABFASA-N 1 0 382.452 2.180 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000774102959 653224800 /nfs/dbraw/zinc/22/48/00/653224800.db2.gz SDYQTOGHQBQJJR-QWHCGFSZSA-N 1 0 397.317 2.470 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccnc1Br)[N@@H+]1CCCC[C@H]1C ZINC000774105233 653225067 /nfs/dbraw/zinc/22/50/67/653225067.db2.gz XOIYYNJKSQYRFW-VXGBXAGGSA-N 1 0 383.290 2.162 20 0 GEADRO COc1cnc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c(Br)c1 ZINC000641631938 653225443 /nfs/dbraw/zinc/22/54/43/653225443.db2.gz IKXFEWNOCLQCDN-UHFFFAOYSA-N 1 0 399.333 2.061 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000774155439 653226799 /nfs/dbraw/zinc/22/67/99/653226799.db2.gz VMKYJPZSMLDECU-LLVKDONJSA-N 1 0 383.290 2.082 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 ZINC000808356879 653228699 /nfs/dbraw/zinc/22/86/99/653228699.db2.gz QIXIDEXJKXENPK-NSHDSACASA-N 1 0 378.441 2.150 20 0 GEADRO CC(C)c1cc(NC[C@]2(O)CCSC2)nc(NC[C@@]2(O)CCSC2)[nH+]1 ZINC000683189319 653230255 /nfs/dbraw/zinc/23/02/55/653230255.db2.gz ISTYINJCTCWOLM-SJORKVTESA-N 1 0 384.571 2.160 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1Cl ZINC000683210386 653231491 /nfs/dbraw/zinc/23/14/91/653231491.db2.gz QTKWNGBHRGOZMK-AWEZNQCLSA-N 1 0 385.917 2.027 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000774269675 653231773 /nfs/dbraw/zinc/23/17/73/653231773.db2.gz HTJZQYAHQYOVDU-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](CO)CC(F)F ZINC000641761396 653233151 /nfs/dbraw/zinc/23/31/51/653233151.db2.gz HJMGUKKBGAWIDI-SKDRFNHKSA-N 1 0 395.244 2.068 20 0 GEADRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2nnnn2-c2ccccc2Br)[C@@H]1C ZINC000641807566 653234384 /nfs/dbraw/zinc/23/43/84/653234384.db2.gz KYJDADBWNLPYCZ-JHJVBQTASA-N 1 0 379.306 2.373 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000683354053 653234620 /nfs/dbraw/zinc/23/46/20/653234620.db2.gz WQDSJUVBKFNGHF-ZIAGYGMSSA-N 1 0 383.286 2.362 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1)C1CC1 ZINC000808764966 653234925 /nfs/dbraw/zinc/23/49/25/653234925.db2.gz DGFIUOQKSIGELS-SJKOYZFVSA-N 1 0 390.908 2.306 20 0 GEADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1ccc(Br)cn1 ZINC000683658854 653236962 /nfs/dbraw/zinc/23/69/62/653236962.db2.gz HPTXUOCYQBGVSF-UHFFFAOYSA-N 1 0 387.197 2.002 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000683662081 653237018 /nfs/dbraw/zinc/23/70/18/653237018.db2.gz BXDNXWGHTDRQGX-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000642335258 653244298 /nfs/dbraw/zinc/24/42/98/653244298.db2.gz WJYSFSNAHYTUMO-UHFFFAOYSA-N 1 0 380.341 2.299 20 0 GEADRO O=C(NCC[NH2+]C1CC1)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000642352286 653244696 /nfs/dbraw/zinc/24/46/96/653244696.db2.gz VJGSNLGQUYXIFV-UHFFFAOYSA-N 1 0 394.686 2.010 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000683874869 653246090 /nfs/dbraw/zinc/24/60/90/653246090.db2.gz HYSQUQOYUQRUIK-UHFFFAOYSA-N 1 0 392.244 2.466 20 0 GEADRO C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3ccc(Br)nc3)CC2)CC1 ZINC000874013598 653251724 /nfs/dbraw/zinc/25/17/24/653251724.db2.gz ILORPECXFBQQFC-UHFFFAOYSA-N 1 0 395.301 2.117 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cc(C)cc(Br)n2)CC1 ZINC000874037596 653252935 /nfs/dbraw/zinc/25/29/35/653252935.db2.gz ZYVUBLRNMRTEOQ-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000874070112 653257983 /nfs/dbraw/zinc/25/79/83/653257983.db2.gz BTSYBCKIWAYNQG-UHFFFAOYSA-N 1 0 397.317 2.409 20 0 GEADRO COC1CC[NH+](CCNC(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000684432126 653265447 /nfs/dbraw/zinc/26/54/47/653265447.db2.gz ZGJOEXOZBXEIRG-GFCCVEGCSA-N 1 0 385.306 2.315 20 0 GEADRO CN(C(=O)c1ncccc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684440070 653265735 /nfs/dbraw/zinc/26/57/35/653265735.db2.gz NEMFZXXRBHIEOO-CQSZACIVSA-N 1 0 381.318 2.085 20 0 GEADRO CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 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GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000859657485 653480324 /nfs/dbraw/zinc/48/03/24/653480324.db2.gz HLWKNDAMMVJSTM-QWHCGFSZSA-N 1 0 389.905 2.025 20 0 GEADRO Cc1c(NC(=O)NC2(C[NH3+])CCOCC2)cnc(Cl)c1Br ZINC000859674583 653480485 /nfs/dbraw/zinc/48/04/85/653480485.db2.gz GNGPYIQOVCOIMF-UHFFFAOYSA-N 1 0 377.670 2.435 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000813451225 653492854 /nfs/dbraw/zinc/49/28/54/653492854.db2.gz JYNVVTRXOJAUGO-NSHDSACASA-N 1 0 389.725 2.253 20 0 GEADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000877392146 653495982 /nfs/dbraw/zinc/49/59/82/653495982.db2.gz LHUZNBLFJKZROR-NVXWUHKLSA-N 1 0 376.254 2.305 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000877437738 653511773 /nfs/dbraw/zinc/51/17/73/653511773.db2.gz UEXPCYGHOATXDQ-UHFFFAOYSA-N 1 0 396.340 2.249 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)Cn2ccc(Br)cc2=O)c2ccccc21 ZINC000877427600 653513527 /nfs/dbraw/zinc/51/35/27/653513527.db2.gz NJUOGVSSWSIKDB-LBPRGKRZSA-N 1 0 376.254 2.090 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)CN1c2ccc(Br)cc2OCC1=O ZINC000877440808 653514876 /nfs/dbraw/zinc/51/48/76/653514876.db2.gz MHEDZOBQEPFEFV-UHFFFAOYSA-N 1 0 398.301 2.152 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000859717054 653517474 /nfs/dbraw/zinc/51/74/74/653517474.db2.gz BVLRMESUTWLNKI-LBPRGKRZSA-N 1 0 393.285 2.323 20 0 GEADRO CCOP(=O)(CCC[N@@H+]1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O)OCC ZINC000877517145 653609857 /nfs/dbraw/zinc/60/98/57/653609857.db2.gz KMLRDSPXMRGCRQ-BBRMVZONSA-N 1 0 375.406 2.095 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC000859954700 653612790 /nfs/dbraw/zinc/61/27/90/653612790.db2.gz JEWFOZMOOPKLLI-VURMDHGXSA-N 1 0 382.507 2.348 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000813740954 653613514 /nfs/dbraw/zinc/61/35/14/653613514.db2.gz LVIKEXMMWPKXSW-FZMZJTMJSA-N 1 0 381.885 2.221 20 0 GEADRO CC(C)(C)OC(=O)N1[C@@H](C[NH2+]CCC(C)(C)S(C)(=O)=O)COC1(C)C ZINC000877590255 653613614 /nfs/dbraw/zinc/61/36/14/653613614.db2.gz XMTOFQPEEHVTFU-ZDUSSCGKSA-N 1 0 378.535 2.161 20 0 GEADRO CCOP(=O)(CCC[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)OCC ZINC000877604994 653614041 /nfs/dbraw/zinc/61/40/41/653614041.db2.gz TVUNKPIEQRKSRN-AWEZNQCLSA-N 1 0 391.426 2.467 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1Br ZINC000877613283 653614389 /nfs/dbraw/zinc/61/43/89/653614389.db2.gz DASJRKRMNAIGTD-GFCCVEGCSA-N 1 0 381.270 2.336 20 0 GEADRO COc1c(C)cnc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1C ZINC000877622578 653614608 /nfs/dbraw/zinc/61/46/08/653614608.db2.gz QTKFRLUYJPCWTP-UHFFFAOYSA-N 1 0 393.285 2.384 20 0 GEADRO C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)CC1CCS(=O)(=O)CC1 ZINC000877664119 653615994 /nfs/dbraw/zinc/61/59/94/653615994.db2.gz LOAYXRUFGFSKHU-HNNXBMFYSA-N 1 0 396.336 2.490 20 0 GEADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCc1ccc(S(=O)(=O)NC)cc1 ZINC000877735203 653618067 /nfs/dbraw/zinc/61/80/67/653618067.db2.gz LPICDWFIVPBRIK-FATZIPQQSA-N 1 0 376.459 2.450 20 0 GEADRO CN1CC[NH+](C2CCN(Cc3cn4ccc(Br)cc4n3)CC2)CC1 ZINC000877746863 653618246 /nfs/dbraw/zinc/61/82/46/653618246.db2.gz ZTZRBCHZTBOKGF-UHFFFAOYSA-N 1 0 392.345 2.309 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000780060493 653620125 /nfs/dbraw/zinc/62/01/25/653620125.db2.gz LMSVXALBVMRDHG-JTQLQIEISA-N 1 0 375.803 2.480 20 0 GEADRO OCC1(CO)CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000877796877 653621191 /nfs/dbraw/zinc/62/11/91/653621191.db2.gz WOPFGSUWROCMTR-UHFFFAOYSA-N 1 0 386.315 2.468 20 0 GEADRO CC(C)[NH+](CCN(C(=S)NC1CCC1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000814192121 653624692 /nfs/dbraw/zinc/62/46/92/653624692.db2.gz PQICFWBPGFGRMN-INIZCTEOSA-N 1 0 375.604 2.021 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000878009272 653626277 /nfs/dbraw/zinc/62/62/77/653626277.db2.gz POOGDHNPONNSSP-UHFFFAOYSA-N 1 0 391.313 2.460 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000878035551 653627022 /nfs/dbraw/zinc/62/70/22/653627022.db2.gz YLZSANFVNDNHCD-UHFFFAOYSA-N 1 0 381.424 2.379 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000814385608 653628833 /nfs/dbraw/zinc/62/88/33/653628833.db2.gz HSFRTDRAOROGHF-LBPRGKRZSA-N 1 0 384.889 2.229 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000780865596 653633827 /nfs/dbraw/zinc/63/38/27/653633827.db2.gz GPCBFXKQPWDGRF-LLVKDONJSA-N 1 0 377.304 2.220 20 0 GEADRO Cc1nc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)sc1Br ZINC000878293266 653633972 /nfs/dbraw/zinc/63/39/72/653633972.db2.gz YTAQDAWFALECAB-GFCCVEGCSA-N 1 0 387.347 2.128 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)cc1Cl ZINC000780865864 653634142 /nfs/dbraw/zinc/63/41/42/653634142.db2.gz LYOIADZYTYCZAE-SNVBAGLBSA-N 1 0 377.869 2.200 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000780866184 653634167 /nfs/dbraw/zinc/63/41/67/653634167.db2.gz DFVBIXWLPQCREY-LBPRGKRZSA-N 1 0 382.507 2.451 20 0 GEADRO Cn1ncc(Br)c1CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000878333472 653634809 /nfs/dbraw/zinc/63/48/09/653634809.db2.gz VIVOHUZPILFJKW-OAHLLOKOSA-N 1 0 383.265 2.283 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]Cc2cnc(C3CC3)nc2)CC1)C(F)(F)F ZINC000838941151 653636285 /nfs/dbraw/zinc/63/62/85/653636285.db2.gz HIDPFRVDOHPSCT-UHFFFAOYSA-N 1 0 378.420 2.005 20 0 GEADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000878402131 653636750 /nfs/dbraw/zinc/63/67/50/653636750.db2.gz BYJCOJUMTMQIPL-NSHDSACASA-N 1 0 381.420 2.120 20 0 GEADRO CS[C@H]1CN(C(=O)c2cnc(C3(C)OCCO3)s2)C[C@H]1[NH+]1CCCC1 ZINC000860788157 653637482 /nfs/dbraw/zinc/63/74/82/653637482.db2.gz QGKNZTFHROJLHQ-OCCSQVGLSA-N 1 0 383.539 2.014 20 0 GEADRO Cn1nnnc1CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000878491302 653638887 /nfs/dbraw/zinc/63/88/87/653638887.db2.gz YIWODBQCXJUXTM-UHFFFAOYSA-N 1 0 380.290 2.196 20 0 GEADRO Cc1cc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)cnc1Br ZINC000839015211 653639479 /nfs/dbraw/zinc/63/94/79/653639479.db2.gz KHONELYJDVHCQH-UHFFFAOYSA-N 1 0 386.338 2.500 20 0 GEADRO Cc1cc(Br)nc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1 ZINC000839140985 653643372 /nfs/dbraw/zinc/64/33/72/653643372.db2.gz WUDZMYQDYWPOQI-UHFFFAOYSA-N 1 0 386.338 2.500 20 0 GEADRO OCC1([C@@H]([NH2+]C[C@H](O)c2cc(Br)no2)C2CCOCC2)CCC1 ZINC000878728220 653645815 /nfs/dbraw/zinc/64/58/15/653645815.db2.gz KTNBHDLGDPKUHE-WFASDCNBSA-N 1 0 389.290 2.018 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(N2CCNC2=O)cc1 ZINC000878761262 653646706 /nfs/dbraw/zinc/64/67/06/653646706.db2.gz OQRPDYUDKDRFOO-GWCFXTLKSA-N 1 0 395.257 2.351 20 0 GEADRO O=C1N[C@H]2C[N@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC[C@@H]2CO1 ZINC000878771080 653646898 /nfs/dbraw/zinc/64/68/98/653646898.db2.gz BVMVQHHBIIVROD-DGFSRKRXSA-N 1 0 375.252 2.163 20 0 GEADRO O=c1cc([C@H]2CC[N@@H+](C[C@H](O)c3ccc(Br)cc3)C2)[nH]c(=O)[nH]1 ZINC000878794700 653647608 /nfs/dbraw/zinc/64/76/08/653647608.db2.gz FXQWWKMLSFMGEE-FZMZJTMJSA-N 1 0 380.242 2.173 20 0 GEADRO O=c1cc([C@H]2CC[N@@H+](C[C@H](O)c3ccccc3Br)C2)[nH]c(=O)[nH]1 ZINC000878797228 653647841 /nfs/dbraw/zinc/64/78/41/653647841.db2.gz WPPSGDFBJZFOQF-HZMBPMFUSA-N 1 0 380.242 2.173 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)NC[C@@H]2CCCC[N@@H+]2CC)cs1)C(N)=O ZINC000878806452 653648007 /nfs/dbraw/zinc/64/80/07/653648007.db2.gz OGGLBXVPSLEWFN-UONOGXRCSA-N 1 0 384.571 2.032 20 0 GEADRO C[C@H](CNC(=O)Cc1c(Br)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000878804485 653648076 /nfs/dbraw/zinc/64/80/76/653648076.db2.gz RRIKNSPSLPFDHR-CYBMUJFWSA-N 1 0 379.302 2.362 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839458276 653650018 /nfs/dbraw/zinc/65/00/18/653650018.db2.gz BISDTXBXLAVROZ-SNVBAGLBSA-N 1 0 378.420 2.479 20 0 GEADRO O=C1O[C@H](C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CN1C1CC1 ZINC000878876695 653650408 /nfs/dbraw/zinc/65/04/08/653650408.db2.gz RIWDGKOXRPMVSF-DZGCQCFKSA-N 1 0 382.258 2.280 20 0 GEADRO CC(C)n1ncc(C(=O)NCC[NH2+]C(C)(C)C)c1I ZINC000878917640 653651757 /nfs/dbraw/zinc/65/17/57/653651757.db2.gz REBJMIMWIJKRGV-UHFFFAOYSA-N 1 0 378.258 2.187 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Nc1ccc(Br)nc1 ZINC000878960668 653653551 /nfs/dbraw/zinc/65/35/51/653653551.db2.gz ORRIUVDRLYZCJM-UHFFFAOYSA-N 1 0 383.290 2.420 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000879013152 653654922 /nfs/dbraw/zinc/65/49/22/653654922.db2.gz HNDOJMNXLKABHQ-JKSUJKDBSA-N 1 0 378.450 2.146 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)CC(F)(F)Br)ccc1C[NH+](C)C ZINC000839555736 653654983 /nfs/dbraw/zinc/65/49/83/653654983.db2.gz DJCPKOWMMIUQRH-UHFFFAOYSA-N 1 0 392.244 2.441 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)CN1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000879013150 653655066 /nfs/dbraw/zinc/65/50/66/653655066.db2.gz HNDOJMNXLKABHQ-HZPDHXFCSA-N 1 0 378.450 2.146 20 0 GEADRO NC(=O)[C@@H](F)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000879049499 653656785 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20 0 GEADRO CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000880433460 653706089 /nfs/dbraw/zinc/70/60/89/653706089.db2.gz XDZUDBJTNDINJI-VNQPRFMTSA-N 1 0 392.265 2.064 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(Cn2nc(N3CCCC3)sc2=S)CC1 ZINC000863314329 653706191 /nfs/dbraw/zinc/70/61/91/653706191.db2.gz GDGRIDOHFFLPAE-UHFFFAOYSA-N 1 0 383.587 2.418 20 0 GEADRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1cccc(Cl)c1SC(F)F ZINC000841096971 653706300 /nfs/dbraw/zinc/70/63/00/653706300.db2.gz DKLXVLPBWCXXSP-UHFFFAOYSA-N 1 0 378.832 2.208 20 0 GEADRO CC(C)(C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000863316003 653706339 /nfs/dbraw/zinc/70/63/39/653706339.db2.gz JBSKHRZGQLHHDB-CABCVRRESA-N 1 0 375.296 2.236 20 0 GEADRO CC(C)(C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000863316005 653706409 /nfs/dbraw/zinc/70/64/09/653706409.db2.gz JBSKHRZGQLHHDB-HUUCEWRRSA-N 1 0 375.296 2.236 20 0 GEADRO Cn1c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1-c1ccc(Br)cc1 ZINC000863323087 653706497 /nfs/dbraw/zinc/70/64/97/653706497.db2.gz BNEIOEPNXPNIGP-OAHLLOKOSA-N 1 0 392.297 2.251 20 0 GEADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841132347 653707093 /nfs/dbraw/zinc/70/70/93/653707093.db2.gz BTWHFEWOHVSJMX-QWHCGFSZSA-N 1 0 389.905 2.155 20 0 GEADRO O=C(Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)C(=O)N1CC[NH2+]CC1 ZINC000841144347 653707689 /nfs/dbraw/zinc/70/76/89/653707689.db2.gz FGASBCVXHKFIAQ-NSHDSACASA-N 1 0 388.320 2.343 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 ZINC000841143358 653707790 /nfs/dbraw/zinc/70/77/90/653707790.db2.gz YLISQHSRWQMTSS-UHFFFAOYSA-N 1 0 376.254 2.491 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841147421 653707951 /nfs/dbraw/zinc/70/79/51/653707951.db2.gz FYSQORZYYPNVPR-SNVBAGLBSA-N 1 0 376.309 2.376 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)C1 ZINC000841150511 653708026 /nfs/dbraw/zinc/70/80/26/653708026.db2.gz WAOYSTRVXPLEAK-WDEREUQCSA-N 1 0 388.320 2.471 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cc2ccccc2nc1Br ZINC000841153590 653708223 /nfs/dbraw/zinc/70/82/23/653708223.db2.gz RHRQUOVJNQMWAE-UHFFFAOYSA-N 1 0 391.269 2.052 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000841156953 653708445 /nfs/dbraw/zinc/70/84/45/653708445.db2.gz BSVOVHMZWLVBRD-NSHDSACASA-N 1 0 375.416 2.477 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000841171585 653708920 /nfs/dbraw/zinc/70/89/20/653708920.db2.gz SNGDJRPEXPTIEH-GFCCVEGCSA-N 1 0 398.305 2.004 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000841173725 653708975 /nfs/dbraw/zinc/70/89/75/653708975.db2.gz YGRVAHLCDFDTBD-LBPRGKRZSA-N 1 0 383.290 2.372 20 0 GEADRO C[C@@H](C[NH2+]Cc1cc(Br)nn1C)N1CCN(c2ccccc2)CC1 ZINC000785418447 653709068 /nfs/dbraw/zinc/70/90/68/653709068.db2.gz WOPXYWSOCFAWRK-HNNXBMFYSA-N 1 0 392.345 2.483 20 0 GEADRO CNC(=O)[C@@H]1CC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000817371367 653709066 /nfs/dbraw/zinc/70/90/66/653709066.db2.gz WDGSCTPXXSIGHG-CYBMUJFWSA-N 1 0 378.274 2.041 20 0 GEADRO COc1cc([C@@H](C)[NH2+]Cc2cc(Br)nn2C)ccc1OCCO ZINC000785437845 653709279 /nfs/dbraw/zinc/70/92/79/653709279.db2.gz ZSVFZKDOWGZWRV-LLVKDONJSA-N 1 0 384.274 2.413 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000841177626 653709295 /nfs/dbraw/zinc/70/92/95/653709295.db2.gz VXRPWXQJJZMIAS-CYBMUJFWSA-N 1 0 383.290 2.115 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000841182486 653709313 /nfs/dbraw/zinc/70/93/13/653709313.db2.gz NURGXFIGNJRZNG-BDAKNGLRSA-N 1 0 389.681 2.022 20 0 GEADRO CCCNC(=O)CSc1nn(CN(C)C[C@@H]2CCC[N@@H+]2C)c(=S)s1 ZINC000817372130 653709444 /nfs/dbraw/zinc/70/94/44/653709444.db2.gz GTXPVSGQYBDKBP-LBPRGKRZSA-N 1 0 389.616 2.276 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841185382 653709522 /nfs/dbraw/zinc/70/95/22/653709522.db2.gz VWVMPAPVWHBYTI-NSHDSACASA-N 1 0 379.258 2.035 20 0 GEADRO CON1CCC([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000817384974 653709728 /nfs/dbraw/zinc/70/97/28/653709728.db2.gz FVYZPJYYPJMOLG-INIZCTEOSA-N 1 0 382.302 2.478 20 0 GEADRO Cn1nc(Br)cc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000785476365 653709788 /nfs/dbraw/zinc/70/97/88/653709788.db2.gz YCFUXLYOJJTDIF-WBVHZDCISA-N 1 0 393.329 2.155 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(C)cnc1Br)C1CC[NH2+]CC1 ZINC000841194267 653709881 /nfs/dbraw/zinc/70/98/81/653709881.db2.gz IUMQEHMICHFPMO-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000841196178 653710044 /nfs/dbraw/zinc/71/00/44/653710044.db2.gz JSHYFHVHPMIIIL-LBPRGKRZSA-N 1 0 398.305 2.004 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841199205 653710246 /nfs/dbraw/zinc/71/02/46/653710246.db2.gz BWEBNBZSNCTILF-GHMZBOCLSA-N 1 0 391.269 2.132 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000841198471 653710262 /nfs/dbraw/zinc/71/02/62/653710262.db2.gz UQLMPXLAZGNQQL-CYBMUJFWSA-N 1 0 395.301 2.082 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000817404974 653710504 /nfs/dbraw/zinc/71/05/04/653710504.db2.gz XAKOZWYORPQKFM-JTQLQIEISA-N 1 0 378.782 2.245 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2s1 ZINC000841225137 653710964 /nfs/dbraw/zinc/71/09/64/653710964.db2.gz RVHRPQMTKOMDLB-TXEJJXNPSA-N 1 0 376.507 2.310 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000785512423 653711180 /nfs/dbraw/zinc/71/11/80/653711180.db2.gz ZDUZMJLDRHZKBW-CQSZACIVSA-N 1 0 377.286 2.321 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@H]1[NH3+] ZINC000841229935 653711254 /nfs/dbraw/zinc/71/12/54/653711254.db2.gz SMHVQLHLFDVQHQ-GZMMTYOYSA-N 1 0 389.681 2.022 20 0 GEADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000841228862 653711333 /nfs/dbraw/zinc/71/13/33/653711333.db2.gz RLLNXGPAOAAMQA-DTORHVGOSA-N 1 0 375.828 2.271 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc2s1 ZINC000841262781 653712769 /nfs/dbraw/zinc/71/27/69/653712769.db2.gz ZRYYYLNCKGCBMK-SNVBAGLBSA-N 1 0 392.428 2.353 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1c2c(ccc1Br)OCC2 ZINC000880799498 653713588 /nfs/dbraw/zinc/71/35/88/653713588.db2.gz RFFLCFVVHUVJMB-LBPRGKRZSA-N 1 0 398.301 2.352 20 0 GEADRO C[C@@H]1[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CCS1(=O)=O ZINC000863581168 653716535 /nfs/dbraw/zinc/71/65/35/653716535.db2.gz OUHGKWBWNNRGBB-OWYVNGRQSA-N 1 0 396.734 2.475 20 0 GEADRO CON(C)C(=O)[C@H](C)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000863586496 653716825 /nfs/dbraw/zinc/71/68/25/653716825.db2.gz BWJSPERCMYNLBJ-LKFCYVNXSA-N 1 0 379.682 2.308 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000863765532 653719846 /nfs/dbraw/zinc/71/98/46/653719846.db2.gz HURRESBTWNRLRL-YGRLFVJLSA-N 1 0 386.265 2.057 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000863767911 653720022 /nfs/dbraw/zinc/72/00/22/653720022.db2.gz WXAMAKVNEOKEFA-YGRLFVJLSA-N 1 0 386.265 2.057 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N(C)C[C@@H](C)[NH3+])ccc1Br ZINC000863767247 653720040 /nfs/dbraw/zinc/72/00/40/653720040.db2.gz LYDKYHHTCCBZSZ-DOMZBBRYSA-N 1 0 382.302 2.227 20 0 GEADRO CCC1([NH+](C)C)CCN(Cc2cn(C)nc2I)CC1 ZINC000864050850 653724877 /nfs/dbraw/zinc/72/48/77/653724877.db2.gz SMHVEVHJSJCKGM-UHFFFAOYSA-N 1 0 376.286 2.331 20 0 GEADRO CSCC[C@@H](C)NC(=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000817828855 653720490 /nfs/dbraw/zinc/72/04/90/653720490.db2.gz PWCGKSHXGLSPHU-GFCCVEGCSA-N 1 0 383.480 2.119 20 0 GEADRO C[NH2+]C1(CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CCC1 ZINC000863922936 653722281 /nfs/dbraw/zinc/72/22/81/653722281.db2.gz GOZQLQGQCPNOFS-UHFFFAOYSA-N 1 0 378.523 2.187 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc2scnc21 ZINC000841507439 653722974 /nfs/dbraw/zinc/72/29/74/653722974.db2.gz IMKJWTOUIGUVRO-MGPQQGTHSA-N 1 0 381.523 2.169 20 0 GEADRO CC[NH+]1CCC(NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000881268777 653723326 /nfs/dbraw/zinc/72/33/26/653723326.db2.gz CYFVXAHFQRLWDR-UHFFFAOYSA-N 1 0 397.273 2.386 20 0 GEADRO Cn1cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c(I)n1 ZINC000864052610 653725079 /nfs/dbraw/zinc/72/50/79/653725079.db2.gz NKZGISZIAAYUDB-STQMWFEESA-N 1 0 375.254 2.462 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000881271948 653724880 /nfs/dbraw/zinc/72/48/80/653724880.db2.gz YODCPZWDZDCWRR-JTQLQIEISA-N 1 0 397.273 2.195 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc(Br)cnc2F)C1 ZINC000864086645 653726023 /nfs/dbraw/zinc/72/60/23/653726023.db2.gz HMFDPCSARKJHJH-BNOWGMLFSA-N 1 0 386.265 2.484 20 0 GEADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2scnc21 ZINC000841520330 653726182 /nfs/dbraw/zinc/72/61/82/653726182.db2.gz FPLCKYARRSWGHK-UHFFFAOYSA-N 1 0 383.539 2.418 20 0 GEADRO COc1ccc(Cn2cc(CC[C@@H](O)C[NH3+])nn2)cc1SC(F)(F)F ZINC000881313536 653726883 /nfs/dbraw/zinc/72/68/83/653726883.db2.gz NJRNJBYAJWGTDA-GFCCVEGCSA-N 1 0 376.404 2.199 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000841525000 653727201 /nfs/dbraw/zinc/72/72/01/653727201.db2.gz SKUPZVKNDUMHIH-SECBINFHSA-N 1 0 397.722 2.341 20 0 GEADRO COC(=O)c1ccc(Br)cc1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000881340106 653727722 /nfs/dbraw/zinc/72/77/22/653727722.db2.gz QHQPKTPTOAZKGM-GFCCVEGCSA-N 1 0 393.285 2.418 20 0 GEADRO C[C@@](O)(Cn1cc(CSCC[NH3+])nn1)c1ccc(Br)cc1F ZINC000881424549 653730764 /nfs/dbraw/zinc/73/07/64/653730764.db2.gz NVNXGGANWHLXLY-CQSZACIVSA-N 1 0 389.294 2.279 20 0 GEADRO [NH3+]Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000818434076 653731666 /nfs/dbraw/zinc/73/16/66/653731666.db2.gz MTHIXLQBKSJTSQ-UHFFFAOYSA-N 1 0 399.925 2.007 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000881466439 653732199 /nfs/dbraw/zinc/73/21/99/653732199.db2.gz WGWRCISTBVLFJF-STQMWFEESA-N 1 0 377.539 2.381 20 0 GEADRO COCC[N@@H+]1CC[C@H](Nc2ccc(N3CCN(C)CC3)c(Br)c2)C1 ZINC000786976405 653732293 /nfs/dbraw/zinc/73/22/93/653732293.db2.gz HEEMMJKYUOCRHK-INIZCTEOSA-N 1 0 397.361 2.334 20 0 GEADRO C[C@@H](NC(=O)c1cn(-c2ccccc2Br)nn1)[C@H]1CCC[NH2+]C1 ZINC000818534001 653733208 /nfs/dbraw/zinc/73/32/08/653733208.db2.gz ZKIJQRALOACRJK-NEPJUHHUSA-N 1 0 378.274 2.148 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)ccc1Cl ZINC000818594035 653734185 /nfs/dbraw/zinc/73/41/85/653734185.db2.gz ACDPYJYQDNWGJE-QGZVFWFLSA-N 1 0 387.933 2.181 20 0 GEADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000818591503 653734291 /nfs/dbraw/zinc/73/42/91/653734291.db2.gz MZUYCQPIKCZYKJ-ZDUSSCGKSA-N 1 0 385.917 2.223 20 0 GEADRO C[C@](O)(C[NH2+]CCNC(=O)C1CC1)c1ccc(Br)cc1Cl ZINC000818941924 653738741 /nfs/dbraw/zinc/73/87/41/653738741.db2.gz BOYPWDBJNZTKNI-HNNXBMFYSA-N 1 0 375.694 2.426 20 0 GEADRO CCCNC(=O)CN1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000818953267 653739214 /nfs/dbraw/zinc/73/92/14/653739214.db2.gz DZYBALPIVKMPIN-QGZVFWFLSA-N 1 0 398.345 2.063 20 0 GEADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1cccc(Br)c1 ZINC000818951437 653739254 /nfs/dbraw/zinc/73/92/54/653739254.db2.gz FLMGHGRUOPAWJA-UHFFFAOYSA-N 1 0 392.315 2.295 20 0 GEADRO CCCNC(=O)CN1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000818954957 653739373 /nfs/dbraw/zinc/73/93/73/653739373.db2.gz YAMMKYLEVYMQSV-QGZVFWFLSA-N 1 0 398.345 2.063 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000787535048 653739660 /nfs/dbraw/zinc/73/96/60/653739660.db2.gz DYXYQGLVCQXSKW-UHFFFAOYSA-N 1 0 387.933 2.148 20 0 GEADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000818982205 653740035 /nfs/dbraw/zinc/74/00/35/653740035.db2.gz HWWIMAPYCDJCEG-ZDUSSCGKSA-N 1 0 389.290 2.303 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000864519876 653740253 /nfs/dbraw/zinc/74/02/53/653740253.db2.gz CPKRBCWEISBLAS-AWEZNQCLSA-N 1 0 394.269 2.157 20 0 GEADRO CN(C(=O)NCCNC(=O)c1cccc(Br)c1)C1CCC([NH3+])CC1 ZINC000841773269 653740544 /nfs/dbraw/zinc/74/05/44/653740544.db2.gz HJOGRLBYZXSNRN-UHFFFAOYSA-N 1 0 397.317 2.090 20 0 GEADRO CCS(=O)(=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819010614 653740679 /nfs/dbraw/zinc/74/06/79/653740679.db2.gz HYMLNTGYQCOQAG-CYBMUJFWSA-N 1 0 384.723 2.334 20 0 GEADRO NS(=O)(=O)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000819007378 653740664 /nfs/dbraw/zinc/74/06/64/653740664.db2.gz WTDFBJSAFUCKIW-MRXNPFEDSA-N 1 0 399.310 2.061 20 0 GEADRO CC[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)[NH+](C)C ZINC000787673115 653741953 /nfs/dbraw/zinc/74/19/53/653741953.db2.gz VANRAZHFYLZBTR-OAHLLOKOSA-N 1 0 383.334 2.480 20 0 GEADRO Fc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(I)c1 ZINC000841862886 653742203 /nfs/dbraw/zinc/74/22/03/653742203.db2.gz HPMUWAQMUPIUAG-ZIAGYGMSSA-N 1 0 390.240 2.383 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc(Br)cc1=O)c1cccc(F)c1 ZINC000864612450 653742337 /nfs/dbraw/zinc/74/23/37/653742337.db2.gz OSEGORXVMIRMTI-HNNXBMFYSA-N 1 0 396.260 2.169 20 0 GEADRO CCc1nn(C)cc1S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000881843367 653742486 /nfs/dbraw/zinc/74/24/86/653742486.db2.gz AIXPALOPWQFEDM-UHFFFAOYSA-N 1 0 382.555 2.235 20 0 GEADRO O=S(=O)(CC[NH2+]CCOc1cccnc1)c1cccc(Br)c1 ZINC000819070218 653742540 /nfs/dbraw/zinc/74/25/40/653742540.db2.gz WMPPWGDUMAGIKQ-UHFFFAOYSA-N 1 0 385.283 2.286 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000841920979 653742583 /nfs/dbraw/zinc/74/25/83/653742583.db2.gz HTOYPBUPVAYIQW-ZDUSSCGKSA-N 1 0 384.274 2.177 20 0 GEADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000819082258 653742728 /nfs/dbraw/zinc/74/27/28/653742728.db2.gz WHFNCKUYXGPZOP-GOEBONIOSA-N 1 0 377.547 2.174 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841972212 653742940 /nfs/dbraw/zinc/74/29/40/653742940.db2.gz XTAFIFRZUKKQKL-INIZCTEOSA-N 1 0 380.286 2.452 20 0 GEADRO COCC1(CNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000841990621 653743126 /nfs/dbraw/zinc/74/31/26/653743126.db2.gz ANXXYJOSMUWGQL-AWEZNQCLSA-N 1 0 390.311 2.342 20 0 GEADRO COC[C@]1(CNC(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000841993405 653743215 /nfs/dbraw/zinc/74/32/15/653743215.db2.gz JXBSONOUNCMELP-UXEPBGEESA-N 1 0 390.311 2.483 20 0 GEADRO CC1=C(Br)CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000841997515 653743219 /nfs/dbraw/zinc/74/32/19/653743219.db2.gz YABVBQXLEWUZRK-UHFFFAOYSA-N 1 0 385.350 2.287 20 0 GEADRO COC[C@@]1(CNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CCC[NH2+]1 ZINC000841996983 653743244 /nfs/dbraw/zinc/74/32/44/653743244.db2.gz METCQNCJNZEREQ-ZBFHGGJFSA-N 1 0 376.284 2.095 20 0 GEADRO COC[C@]1(CNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000841997252 653743248 /nfs/dbraw/zinc/74/32/48/653743248.db2.gz NHNZXMVQPSXOTL-GDBMZVCRSA-N 1 0 376.284 2.095 20 0 GEADRO COC[C@@]1(CNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000841998870 653743282 /nfs/dbraw/zinc/74/32/82/653743282.db2.gz VDSYDMNPIKMWGJ-CJNGLKHVSA-N 1 0 376.284 2.095 20 0 GEADRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3cccc(Br)c3)C2)cn1 ZINC000819106038 653743359 /nfs/dbraw/zinc/74/33/59/653743359.db2.gz SCROVYWSODVFSH-NVXWUHKLSA-N 1 0 379.302 2.475 20 0 GEADRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)C2)cn1 ZINC000819104286 653743377 /nfs/dbraw/zinc/74/33/77/653743377.db2.gz JGRBRRPJNRARFJ-WBVHZDCISA-N 1 0 379.302 2.475 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842006897 653743471 /nfs/dbraw/zinc/74/34/71/653743471.db2.gz WGYUATOTYDSBTF-QWHCGFSZSA-N 1 0 392.244 2.121 20 0 GEADRO COCCCN(C)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819106590 653743553 /nfs/dbraw/zinc/74/35/53/653743553.db2.gz WHCDXWBTDVVKSC-MRXNPFEDSA-N 1 0 377.298 2.354 20 0 GEADRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)c3cccc(Br)c3)C2=O)n1 ZINC000819112968 653743629 /nfs/dbraw/zinc/74/36/29/653743629.db2.gz KQIJTNFVUGXVIU-CABCVRRESA-N 1 0 393.285 2.001 20 0 GEADRO C[C@H](C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(F)cc1F ZINC000819124106 653744094 /nfs/dbraw/zinc/74/40/94/653744094.db2.gz METFVJDUELPGCU-GFCCVEGCSA-N 1 0 377.453 2.414 20 0 GEADRO CCOC(=O)c1nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Br ZINC000881868537 653745081 /nfs/dbraw/zinc/74/50/81/653745081.db2.gz HJRNJTJJPYYJCF-VXGBXAGGSA-N 1 0 384.274 2.296 20 0 GEADRO CN(C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)C1CCC([NH3+])CC1 ZINC000842082435 653745105 /nfs/dbraw/zinc/74/51/05/653745105.db2.gz CMQMWORUHPHFCW-UHFFFAOYSA-N 1 0 380.901 2.294 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)CC1CC1 ZINC000819172697 653745137 /nfs/dbraw/zinc/74/51/37/653745137.db2.gz FOZCDSVOPUOKNF-GFCCVEGCSA-N 1 0 382.309 2.148 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000819178891 653745348 /nfs/dbraw/zinc/74/53/48/653745348.db2.gz FLAAIGYFGIQSTR-DOTOQJQBSA-N 1 0 385.551 2.158 20 0 GEADRO CN(CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)S(=O)(=O)c1cccs1 ZINC000819179689 653745393 /nfs/dbraw/zinc/74/53/93/653745393.db2.gz GTHMTWPXYIHUND-CQSZACIVSA-N 1 0 392.905 2.484 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccs1 ZINC000819183198 653745647 /nfs/dbraw/zinc/74/56/47/653745647.db2.gz MIGSLOVMJDKXIW-CYBMUJFWSA-N 1 0 394.440 2.368 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(Cl)s1 ZINC000819185434 653745780 /nfs/dbraw/zinc/74/57/80/653745780.db2.gz IWRBBLATKUHVAQ-LBPRGKRZSA-N 1 0 378.878 2.142 20 0 GEADRO O=S(=O)(c1ccc(OCC[NH2+]C[C@H](O)CC(F)(F)F)cc1)C(F)(F)F ZINC000819201202 653745952 /nfs/dbraw/zinc/74/59/52/653745952.db2.gz JXKNAPGSKOVQQB-SECBINFHSA-N 1 0 395.321 2.262 20 0 GEADRO O=S1(=O)CCC(CC[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819200414 653745994 /nfs/dbraw/zinc/74/59/94/653745994.db2.gz WKEHKVVMMQMAHV-OAHLLOKOSA-N 1 0 376.316 2.287 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H]1COC2(CCOCC2)O1)COc1c(Cl)cccc1Cl ZINC000819215842 653746404 /nfs/dbraw/zinc/74/64/04/653746404.db2.gz OKPBYOOBSPBOBF-QWHCGFSZSA-N 1 0 392.279 2.245 20 0 GEADRO C[C@@H]1CN(C(=O)NCCSCc2ccnc(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000842182159 653747108 /nfs/dbraw/zinc/74/71/08/653747108.db2.gz JIMINCFUIZYRFT-KGLIPLIRSA-N 1 0 386.949 2.065 20 0 GEADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC1 ZINC000842203326 653747721 /nfs/dbraw/zinc/74/77/21/653747721.db2.gz RACGIIDCALLSNX-UHFFFAOYSA-N 1 0 378.782 2.150 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C1(S(C)(=O)=O)CC1 ZINC000819304731 653748634 /nfs/dbraw/zinc/74/86/34/653748634.db2.gz JBSYDYANZLBAIN-RNCFNFMXSA-N 1 0 380.279 2.177 20 0 GEADRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C1(S(C)(=O)=O)CC1 ZINC000819305052 653748691 /nfs/dbraw/zinc/74/86/91/653748691.db2.gz LJFJNXAQPPSWIG-HZMBPMFUSA-N 1 0 394.306 2.351 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C1(S(C)(=O)=O)CC1 ZINC000819304729 653748722 /nfs/dbraw/zinc/74/87/22/653748722.db2.gz JBSYDYANZLBAIN-NOZJJQNGSA-N 1 0 380.279 2.177 20 0 GEADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000842211737 653748808 /nfs/dbraw/zinc/74/88/08/653748808.db2.gz GBYPNQQOUHTFPE-WDEREUQCSA-N 1 0 391.921 2.379 20 0 GEADRO CC(=O)N[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)c1cccc(Br)c1 ZINC000864939618 653748952 /nfs/dbraw/zinc/74/89/52/653748952.db2.gz DOFYXBHEDVCFDK-JKSUJKDBSA-N 1 0 382.302 2.083 20 0 GEADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000819314073 653749216 /nfs/dbraw/zinc/74/92/16/653749216.db2.gz QEXWQHCTVVRBLE-KSSFIOAISA-N 1 0 380.897 2.426 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)cc2OC)C1 ZINC000864961935 653749666 /nfs/dbraw/zinc/74/96/66/653749666.db2.gz GWAQPLHSXAKKED-NSHDSACASA-N 1 0 388.249 2.371 20 0 GEADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cc2nc(Cl)ccc2s1 ZINC000881913781 653749658 /nfs/dbraw/zinc/74/96/58/653749658.db2.gz VDGYGDSELHPRQA-UHFFFAOYSA-N 1 0 389.930 2.075 20 0 GEADRO O=C(CSCc1cc(=O)n2ccsc2n1)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788119411 653750238 /nfs/dbraw/zinc/75/02/38/653750238.db2.gz XURJIOODTPJMQQ-UONOGXRCSA-N 1 0 379.507 2.159 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1I ZINC000865008134 653751233 /nfs/dbraw/zinc/75/12/33/653751233.db2.gz FRZVBAUYRLFFBJ-JTQLQIEISA-N 1 0 388.253 2.035 20 0 GEADRO CCc1nn(C)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000881934071 653751449 /nfs/dbraw/zinc/75/14/49/653751449.db2.gz NJHXBHNDRNZWQE-CXAGYDPISA-N 1 0 382.555 2.405 20 0 GEADRO CC(=O)N[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1cccc(Br)c1 ZINC000865032997 653751595 /nfs/dbraw/zinc/75/15/95/653751595.db2.gz LFONXNNUCFRLGB-RHSMWYFYSA-N 1 0 396.329 2.473 20 0 GEADRO C[S@](=O)(=NS(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000881942106 653751891 /nfs/dbraw/zinc/75/18/91/653751891.db2.gz URHDHCKQNMGWDE-UPCLLVRISA-N 1 0 391.603 2.470 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000865048823 653751910 /nfs/dbraw/zinc/75/19/10/653751910.db2.gz DJKZTBFXJNAQRR-IIAWOOMASA-N 1 0 396.329 2.475 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000881942707 653752065 /nfs/dbraw/zinc/75/20/65/653752065.db2.gz CJOZUWGWLINFGS-NPMXOYFQSA-N 1 0 379.592 2.468 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1nc(Br)ccc1Br)C2 ZINC000788202840 653752072 /nfs/dbraw/zinc/75/20/72/653752072.db2.gz IPYJLRNPJRMFGB-UHFFFAOYSA-N 1 0 389.091 2.384 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nc(Br)sc1Cl ZINC000865058091 653752350 /nfs/dbraw/zinc/75/23/50/653752350.db2.gz GGKJOOKPBHSFOK-HTQZYQBOSA-N 1 0 380.695 2.152 20 0 GEADRO CN(CCC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)S(C)(=O)=O ZINC000788248537 653753379 /nfs/dbraw/zinc/75/33/79/653753379.db2.gz QRFNOTSYKOHJQZ-LSDHHAIUSA-N 1 0 377.551 2.084 20 0 GEADRO C[NH+]1CCC(CNC(=S)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000788283438 653753799 /nfs/dbraw/zinc/75/37/99/653753799.db2.gz SUQKKJIOEMUDLO-UHFFFAOYSA-N 1 0 375.947 2.372 20 0 GEADRO CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)c1cccc(Br)c1 ZINC000865124459 653754600 /nfs/dbraw/zinc/75/46/00/653754600.db2.gz BOBFXJBXLXCMHP-JKSUJKDBSA-N 1 0 382.302 2.179 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(Br)cc1Cl ZINC000865202251 653757033 /nfs/dbraw/zinc/75/70/33/653757033.db2.gz JBLFYPHSAIESFM-LBPRGKRZSA-N 1 0 388.737 2.397 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(Cl)cc1Cl ZINC000842480239 653757829 /nfs/dbraw/zinc/75/78/29/653757829.db2.gz RCDNITJTARXEAZ-RKDXNWHRSA-N 1 0 381.281 2.186 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)c(Cl)cc1Cl ZINC000842482555 653757973 /nfs/dbraw/zinc/75/79/73/653757973.db2.gz AYICOTAZJFIOSZ-LBPRGKRZSA-N 1 0 383.297 2.432 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@@]1(C)C[NH3+] ZINC000842483515 653758086 /nfs/dbraw/zinc/75/80/86/653758086.db2.gz MYZQHVVCRZQNCC-PRHODGIISA-N 1 0 382.711 2.103 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c(Cl)cc1Cl ZINC000842483762 653758333 /nfs/dbraw/zinc/75/83/33/653758333.db2.gz PNRGMKYPCZOXIU-ZDUSSCGKSA-N 1 0 395.308 2.446 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000842484873 653758497 /nfs/dbraw/zinc/75/84/97/653758497.db2.gz BCLLLOSULPWPCH-KGLIPLIRSA-N 1 0 394.324 2.295 20 0 GEADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CC2)C1 ZINC000842485083 653758527 /nfs/dbraw/zinc/75/85/27/653758527.db2.gz LIRSCQJBXLQYNW-RISCZKNCSA-N 1 0 394.324 2.295 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842485093 653758596 /nfs/dbraw/zinc/75/85/96/653758596.db2.gz JRZPKTFZKWPZNX-HNNXBMFYSA-N 1 0 389.315 2.283 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)/C=C\c3cccc(Cl)c3)C2)nn1 ZINC000842486377 653758757 /nfs/dbraw/zinc/75/87/57/653758757.db2.gz YQIAAUJTUMVADA-IOBAAEILSA-N 1 0 381.889 2.028 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)/C=C\c3cccc(Cl)c3)C2)nn1 ZINC000842486379 653758778 /nfs/dbraw/zinc/75/87/78/653758778.db2.gz YQIAAUJTUMVADA-QKIRZYONSA-N 1 0 381.889 2.028 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCSC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000788545185 653759237 /nfs/dbraw/zinc/75/92/37/653759237.db2.gz HPUAIXVWHXTSNZ-NWDGAFQWSA-N 1 0 381.464 2.125 20 0 GEADRO [NH3+]C1(c2noc(-c3ccc4ncc(I)n4c3)n2)CCC1 ZINC000842617724 653760596 /nfs/dbraw/zinc/76/05/96/653760596.db2.gz VGAAVXXBJAQJQS-UHFFFAOYSA-N 1 0 381.177 2.327 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc(Br)cnc1Cl)[C@H]1CCC[NH2+]C1 ZINC000842698269 653763460 /nfs/dbraw/zinc/76/34/60/653763460.db2.gz CITZTXPLNIAGMW-BDAKNGLRSA-N 1 0 382.711 2.164 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000819973359 653763983 /nfs/dbraw/zinc/76/39/83/653763983.db2.gz GYJPTWDWIBREKA-ZDUSSCGKSA-N 1 0 379.258 2.300 20 0 GEADRO Nc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc(Br)n1 ZINC000820012823 653764749 /nfs/dbraw/zinc/76/47/49/653764749.db2.gz MXAZVONACPBSFQ-UHFFFAOYSA-N 1 0 390.285 2.216 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000842722917 653764766 /nfs/dbraw/zinc/76/47/66/653764766.db2.gz VRRQAOOMPXWZDY-JOYOIKCWSA-N 1 0 395.294 2.345 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1Br ZINC000842723154 653764772 /nfs/dbraw/zinc/76/47/72/653764772.db2.gz ZEHHSADTJAZMLO-MEBBXXQBSA-N 1 0 389.315 2.400 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000842722912 653764787 /nfs/dbraw/zinc/76/47/87/653764787.db2.gz VRRQAOOMPXWZDY-BXKDBHETSA-N 1 0 395.294 2.345 20 0 GEADRO CCC([NH3+])(CC)CNS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000842733697 653765242 /nfs/dbraw/zinc/76/52/42/653765242.db2.gz MUJJUNUBWYNLKS-UHFFFAOYSA-N 1 0 399.332 2.093 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(N)nc(Br)c2)[C@@H](C)C1 ZINC000820035071 653765326 /nfs/dbraw/zinc/76/53/26/653765326.db2.gz CXALURXCSQYDSA-GXTWGEPZSA-N 1 0 399.333 2.293 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c1OC ZINC000842738099 653765440 /nfs/dbraw/zinc/76/54/40/653765440.db2.gz VHFXYTMFICQDLY-UHFFFAOYSA-N 1 0 390.889 2.026 20 0 GEADRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cccnc2Br)cc1 ZINC000865453727 653765684 /nfs/dbraw/zinc/76/56/84/653765684.db2.gz JARGAIYVEWGWRZ-UHFFFAOYSA-N 1 0 385.283 2.416 20 0 GEADRO NS(=O)(=O)c1cc(Br)ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000865452456 653765787 /nfs/dbraw/zinc/76/57/87/653765787.db2.gz JAEMYRCEGVEBNI-UHFFFAOYSA-N 1 0 388.331 2.383 20 0 GEADRO CN(C)c1ccc(F)cc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000865460541 653765943 /nfs/dbraw/zinc/76/59/43/653765943.db2.gz SKACDRGSZJXZJY-UHFFFAOYSA-N 1 0 379.448 2.246 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)C2=Cc3ccccc3OC2)C[C@@H]1[NH+]1CCCC1 ZINC000788913047 653766091 /nfs/dbraw/zinc/76/60/91/653766091.db2.gz WJZQPTSSFSPKTG-FUHWJXTLSA-N 1 0 380.535 2.261 20 0 GEADRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1C(=O)OC)[NH+](C)C ZINC000788921472 653766518 /nfs/dbraw/zinc/76/65/18/653766518.db2.gz WOOAZVGSAFHEQJ-GFCCVEGCSA-N 1 0 391.921 2.166 20 0 GEADRO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CC[NH2+]1 ZINC000842775580 653766661 /nfs/dbraw/zinc/76/66/61/653766661.db2.gz FSWYQCLJFWMECU-SNVBAGLBSA-N 1 0 382.711 2.116 20 0 GEADRO CCOc1ccc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)cc1Br ZINC000842797513 653768042 /nfs/dbraw/zinc/76/80/42/653768042.db2.gz LQDSFSPHBHKLDG-UHFFFAOYSA-N 1 0 389.315 2.396 20 0 GEADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C2(Br)CC2)CC1 ZINC000820172152 653768060 /nfs/dbraw/zinc/76/80/60/653768060.db2.gz OCRWCUZSJOOWMN-UHFFFAOYSA-N 1 0 396.329 2.203 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccnc1Br ZINC000865564053 653768569 /nfs/dbraw/zinc/76/85/69/653768569.db2.gz BECRDRNYOMGLGT-WCQYABFASA-N 1 0 376.320 2.042 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000865605111 653769812 /nfs/dbraw/zinc/76/98/12/653769812.db2.gz MVVKVMFFGDLAPP-SJORKVTESA-N 1 0 394.313 2.227 20 0 GEADRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865608271 653769868 /nfs/dbraw/zinc/76/98/68/653769868.db2.gz SLLIMFGAXGNBOJ-GFCCVEGCSA-N 1 0 390.347 2.486 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1Br ZINC000842827610 653769983 /nfs/dbraw/zinc/76/99/83/653769983.db2.gz MSNQDESKGUGHEX-HNNXBMFYSA-N 1 0 389.315 2.320 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2cnn(C)c2I)C1 ZINC000842829988 653770070 /nfs/dbraw/zinc/77/00/70/653770070.db2.gz LUCFUMBSQIHXHO-LLVKDONJSA-N 1 0 391.253 2.302 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000865620601 653770206 /nfs/dbraw/zinc/77/02/06/653770206.db2.gz NSOYRJATVRRCOW-UHFFFAOYSA-N 1 0 377.304 2.157 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000865622417 653770291 /nfs/dbraw/zinc/77/02/91/653770291.db2.gz VEWZQKZFIIJCTJ-HXUWFJFHSA-N 1 0 375.210 2.253 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c(Cl)cc1Cl ZINC000842836639 653770277 /nfs/dbraw/zinc/77/02/77/653770277.db2.gz UJMMYFBXMLLVIG-RKDXNWHRSA-N 1 0 381.281 2.151 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1Br ZINC000842846473 653770381 /nfs/dbraw/zinc/77/03/81/653770381.db2.gz KBWNWQNEOLXAKC-AWEZNQCLSA-N 1 0 375.288 2.011 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842849547 653770389 /nfs/dbraw/zinc/77/03/89/653770389.db2.gz AMHBQUOVOOWVTQ-CYBMUJFWSA-N 1 0 394.722 2.262 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)[C@@H]2C1 ZINC000820264853 653770504 /nfs/dbraw/zinc/77/05/04/653770504.db2.gz SQTOYRFFEKCLMG-SMDDNHRTSA-N 1 0 377.238 2.332 20 0 GEADRO COC[C@]1(CNS(=O)(=O)/C=C\c2cccc(Br)c2)CCC[NH2+]1 ZINC000842859801 653770760 /nfs/dbraw/zinc/77/07/60/653770760.db2.gz UDUBHJKCKCUWNX-WUKHSURWSA-N 1 0 389.315 2.108 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000842871807 653771329 /nfs/dbraw/zinc/77/13/29/653771329.db2.gz HTAKNWJPXZPRPM-AOOOYVTPSA-N 1 0 394.722 2.118 20 0 GEADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842872641 653771353 /nfs/dbraw/zinc/77/13/53/653771353.db2.gz FJXUCWZQKWTYLU-KBPBESRZSA-N 1 0 382.917 2.388 20 0 GEADRO O=S(=O)(c1ccc(Br)o1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842871435 653771354 /nfs/dbraw/zinc/77/13/54/653771354.db2.gz ANZNRUQRJRPBBL-VXGBXAGGSA-N 1 0 377.304 2.442 20 0 GEADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842872658 653771355 /nfs/dbraw/zinc/77/13/55/653771355.db2.gz FJXUCWZQKWTYLU-ZIAGYGMSSA-N 1 0 382.917 2.388 20 0 GEADRO CN(C)S(=O)(=O)CCC[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789314324 653771383 /nfs/dbraw/zinc/77/13/83/653771383.db2.gz UJODAUUFTRXTHT-UHFFFAOYSA-N 1 0 375.922 2.107 20 0 GEADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842878205 653771507 /nfs/dbraw/zinc/77/15/07/653771507.db2.gz IAYSIFVVKPAPJV-MRVPVSSYSA-N 1 0 395.710 2.156 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1nc(Br)sc1Cl ZINC000865674684 653771671 /nfs/dbraw/zinc/77/16/71/653771671.db2.gz CYFRQFDSRKUGIH-UHFFFAOYSA-N 1 0 395.754 2.269 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)cc2Br)CC[N@@H+](C2CCC2)C1 ZINC000820308899 653771797 /nfs/dbraw/zinc/77/17/97/653771797.db2.gz OZNLGJGWSUEKMZ-GFCCVEGCSA-N 1 0 382.302 2.094 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000865718027 653772858 /nfs/dbraw/zinc/77/28/58/653772858.db2.gz RZRHEKOYWULXRD-IRXDYDNUSA-N 1 0 394.313 2.321 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000865868455 653778140 /nfs/dbraw/zinc/77/81/40/653778140.db2.gz JUJIGBZWJLWOII-XVKPBYJWSA-N 1 0 389.159 2.224 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000789386055 653773612 /nfs/dbraw/zinc/77/36/12/653773612.db2.gz HENCFNOMVQAGFZ-ZBFHGGJFSA-N 1 0 383.583 2.490 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842918167 653773633 /nfs/dbraw/zinc/77/36/33/653773633.db2.gz BYUYMCYLVPSECQ-UHFFFAOYSA-N 1 0 383.283 2.394 20 0 GEADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@H](O)[C@H](C)O)cc1Br ZINC000865738121 653773650 /nfs/dbraw/zinc/77/36/50/653773650.db2.gz JDNRKRPWIKIROC-WMFXKJRFSA-N 1 0 380.254 2.101 20 0 GEADRO COc1nc(Br)ccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000789391355 653773950 /nfs/dbraw/zinc/77/39/50/653773950.db2.gz CPYAMIVPJOJUMW-LBPRGKRZSA-N 1 0 399.289 2.039 20 0 GEADRO O=C1OC[C@]2(C[NH2+]Cc3cc(Cl)ccc3Br)COCCN12 ZINC000865771073 653774361 /nfs/dbraw/zinc/77/43/61/653774361.db2.gz XCDIWUODWHGEJO-AWEZNQCLSA-N 1 0 375.650 2.413 20 0 GEADRO O=C1OC[C@@]2(C[NH2+]Cc3cccc(Br)c3Cl)COCCN12 ZINC000865770354 653774372 /nfs/dbraw/zinc/77/43/72/653774372.db2.gz KMGFWQKWWBFIPE-CQSZACIVSA-N 1 0 375.650 2.413 20 0 GEADRO O=C1OC[C@@]2(C[NH2+]Cc3ccnc4c(Br)cccc34)COCCN12 ZINC000865770349 653774375 /nfs/dbraw/zinc/77/43/75/653774375.db2.gz KLYITSFLMOACNR-QGZVFWFLSA-N 1 0 392.253 2.308 20 0 GEADRO Brc1nnc2ccc(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)nn12 ZINC000882286130 653774854 /nfs/dbraw/zinc/77/48/54/653774854.db2.gz JKAAYVDBRVLDKO-GASCZTMLSA-N 1 0 399.296 2.455 20 0 GEADRO C[C@@H](C[NH2+]Cc1cc(Br)nn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000865782949 653774898 /nfs/dbraw/zinc/77/48/98/653774898.db2.gz IAWIZXVXWCPLHW-NSHDSACASA-N 1 0 386.315 2.479 20 0 GEADRO C[C@H](C[NH2+]Cc1cn(C)nc1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000865784498 653775034 /nfs/dbraw/zinc/77/50/34/653775034.db2.gz ZIHAIZMCEKSBAB-LLVKDONJSA-N 1 0 386.315 2.479 20 0 GEADRO CCc1ccc(Br)cc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000820496634 653775558 /nfs/dbraw/zinc/77/55/58/653775558.db2.gz ZUQUYNHQVBVKGM-UHFFFAOYSA-N 1 0 380.330 2.331 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000865806708 653775616 /nfs/dbraw/zinc/77/56/16/653775616.db2.gz MOBUIPLHNGZZEJ-MLGOLLRUSA-N 1 0 384.318 2.473 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000820504042 653775723 /nfs/dbraw/zinc/77/57/23/653775723.db2.gz PPEVISHCGIFLHM-HZMBPMFUSA-N 1 0 389.315 2.017 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cccnc2Br)cc1 ZINC000865817762 653775994 /nfs/dbraw/zinc/77/59/94/653775994.db2.gz HEBKWZXBKCYTDG-UHFFFAOYSA-N 1 0 384.299 2.085 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000820559166 653776907 /nfs/dbraw/zinc/77/69/07/653776907.db2.gz UHFZXPBAUFGBBX-MPKXVKKWSA-N 1 0 380.286 2.426 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)cn4ncnc34)C2)C1 ZINC000820608160 653777689 /nfs/dbraw/zinc/77/76/89/653777689.db2.gz FMSSKEDPHTXEOJ-MRXNPFEDSA-N 1 0 378.274 2.050 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000843038233 653777847 /nfs/dbraw/zinc/77/78/47/653777847.db2.gz HZNWTXYWZACUJT-BDAKNGLRSA-N 1 0 383.392 2.236 20 0 GEADRO CCN(CCO)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000843095431 653779156 /nfs/dbraw/zinc/77/91/56/653779156.db2.gz OYTCDXVEWDLNRP-HNNXBMFYSA-N 1 0 379.726 2.214 20 0 GEADRO C[C@@](O)(C[NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(Br)cc1F ZINC000843097036 653779229 /nfs/dbraw/zinc/77/92/29/653779229.db2.gz WGEFBPWLZPRHIR-RHSMWYFYSA-N 1 0 389.309 2.232 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccccc1Br)C2 ZINC000843111506 653779573 /nfs/dbraw/zinc/77/95/73/653779573.db2.gz FLTOLUOHWDNUKO-UGSOOPFHSA-N 1 0 394.313 2.127 20 0 GEADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000843110963 653779604 /nfs/dbraw/zinc/77/96/04/653779604.db2.gz IBOGLBKCJQPRJJ-IRXDYDNUSA-N 1 0 387.860 2.239 20 0 GEADRO C[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C[C@H](C)[N@H+]1C ZINC000820688043 653780317 /nfs/dbraw/zinc/78/03/17/653780317.db2.gz INJQOKJXMASMAY-WDMOLILDSA-N 1 0 380.286 2.426 20 0 GEADRO C[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C[C@H](C)[N@H+]1C ZINC000820688507 653780568 /nfs/dbraw/zinc/78/05/68/653780568.db2.gz SZAUWJXINZXGHN-LOWVWBTDSA-N 1 0 380.286 2.426 20 0 GEADRO Brc1cncc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)c1 ZINC000843176966 653780980 /nfs/dbraw/zinc/78/09/80/653780980.db2.gz XXPLLLWGNJSFOF-UHFFFAOYSA-N 1 0 376.218 2.077 20 0 GEADRO C[C@@]1(c2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)CC[NH2+]C1 ZINC000843200571 653781165 /nfs/dbraw/zinc/78/11/65/653781165.db2.gz GZRRLUVGGDFHKQ-MRXNPFEDSA-N 1 0 390.241 2.323 20 0 GEADRO [NH3+]CC1(c2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)CC1 ZINC000843201101 653781207 /nfs/dbraw/zinc/78/12/07/653781207.db2.gz OWFAUIHEIIKZEK-UHFFFAOYSA-N 1 0 376.214 2.062 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1nc(Br)sc1Cl ZINC000865952400 653781267 /nfs/dbraw/zinc/78/12/67/653781267.db2.gz SJWNKHKPMKGSDM-UHFFFAOYSA-N 1 0 382.711 2.136 20 0 GEADRO Ic1cnc2c(-c3noc(C[C@@H]4CCC[NH2+]4)n3)cccn12 ZINC000843224010 653781786 /nfs/dbraw/zinc/78/17/86/653781786.db2.gz ITXAXBLDPNCGOF-VIFPVBQESA-N 1 0 395.204 2.283 20 0 GEADRO COc1ccc(Br)cc1C1(c2noc(C[C@@H]3C[NH2+]CCO3)n2)CC1 ZINC000843242318 653782323 /nfs/dbraw/zinc/78/23/23/653782323.db2.gz SLTVWPOFGLIVSO-GFCCVEGCSA-N 1 0 394.269 2.452 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000843263463 653782484 /nfs/dbraw/zinc/78/24/84/653782484.db2.gz WOMAKVNLAOIZHK-UHFFFAOYSA-N 1 0 390.709 2.354 20 0 GEADRO O=C1CN(c2cc[nH+]c(CO)c2)CCN1Cc1ccc(Br)cc1 ZINC000865989534 653782609 /nfs/dbraw/zinc/78/26/09/653782609.db2.gz JYDNDGPGDJAOGH-UHFFFAOYSA-N 1 0 376.254 2.185 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000882480245 653784158 /nfs/dbraw/zinc/78/41/58/653784158.db2.gz DOXRTFOUCUCDEM-CYBMUJFWSA-N 1 0 387.933 2.193 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000882500356 653785147 /nfs/dbraw/zinc/78/51/47/653785147.db2.gz WDEVHCIPTLOHEV-UHFFFAOYSA-N 1 0 377.539 2.382 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)CC[C@@H]21 ZINC000882500881 653785223 /nfs/dbraw/zinc/78/52/23/653785223.db2.gz CADHWHVAUDTAKG-ONGXEEELSA-N 1 0 383.823 2.469 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000843370019 653785790 /nfs/dbraw/zinc/78/57/90/653785790.db2.gz ARCPDWDWEDPDEO-HNNXBMFYSA-N 1 0 393.285 2.401 20 0 GEADRO CC1([NH+]2CCC2)CCN(C(=O)c2ccc(I)cn2)CC1 ZINC000882508741 653785844 /nfs/dbraw/zinc/78/58/44/653785844.db2.gz MESHINYHDZBIAS-UHFFFAOYSA-N 1 0 385.249 2.387 20 0 GEADRO C[N@@H+]1CCN(c2ccc(Br)cc2S(N)(=O)=O)CCC1(C)C ZINC000866109102 653786187 /nfs/dbraw/zinc/78/61/87/653786187.db2.gz BQUDQPGBVDWDTD-UHFFFAOYSA-N 1 0 376.320 2.017 20 0 GEADRO O=C(/C=C\c1ccc(I)o1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843452335 653787205 /nfs/dbraw/zinc/78/72/05/653787205.db2.gz AHDPGDOLBWYUNN-RQOWECAXSA-N 1 0 386.233 2.500 20 0 GEADRO O=C(/C=C/c1ccc(I)o1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843474545 653787797 /nfs/dbraw/zinc/78/77/97/653787797.db2.gz PTHNNXMCVNUFAC-UJAVWCLSSA-N 1 0 386.233 2.500 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000820970027 653787914 /nfs/dbraw/zinc/78/79/14/653787914.db2.gz YJHHXHULQHJALY-LLVKDONJSA-N 1 0 375.441 2.395 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1Cl ZINC000843502761 653788528 /nfs/dbraw/zinc/78/85/28/653788528.db2.gz FSNYYGFWYNJZNO-NEPJUHHUSA-N 1 0 375.922 2.226 20 0 GEADRO [NH3+]CCCCCCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000843510264 653788812 /nfs/dbraw/zinc/78/88/12/653788812.db2.gz LBTAWRXMEZLVGZ-UHFFFAOYSA-N 1 0 395.301 2.184 20 0 GEADRO [NH3+]CCCCCCNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000843512134 653788920 /nfs/dbraw/zinc/78/89/20/653788920.db2.gz PUQJTCJMDNOOSF-UHFFFAOYSA-N 1 0 386.237 2.416 20 0 GEADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)cn3ncnc13)C2 ZINC000821026104 653789095 /nfs/dbraw/zinc/78/90/95/653789095.db2.gz PPQGVLUZCLLMPW-MRXNPFEDSA-N 1 0 378.274 2.050 20 0 GEADRO CC[NH+](CC)CCN(C(=S)Nc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000790304077 653789137 /nfs/dbraw/zinc/78/91/37/653789137.db2.gz BVLNXCINGCKAQJ-AWEZNQCLSA-N 1 0 375.585 2.276 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1)C(F)(F)F ZINC000866265091 653789528 /nfs/dbraw/zinc/78/95/28/653789528.db2.gz IGOAHAAWGVIPHJ-GJZGRUSLSA-N 1 0 384.464 2.485 20 0 GEADRO COC(=O)c1c2cnn(CN3CC[C@@H](C[NH+](C)C)C3)c2ccc1Br ZINC000790444619 653792054 /nfs/dbraw/zinc/79/20/54/653792054.db2.gz AWEJLJDINYZCTQ-LBPRGKRZSA-N 1 0 395.301 2.426 20 0 GEADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843826295 653795086 /nfs/dbraw/zinc/79/50/86/653795086.db2.gz UHIOIYQNFZRFBH-ZYHUDNBSSA-N 1 0 375.441 2.393 20 0 GEADRO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000821349311 653795653 /nfs/dbraw/zinc/79/56/53/653795653.db2.gz WIDDHPHIPWZFFM-UHFFFAOYSA-N 1 0 377.551 2.039 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000844036683 653799680 /nfs/dbraw/zinc/79/96/80/653799680.db2.gz RIFARRSBGBHWIR-LLVKDONJSA-N 1 0 393.285 2.122 20 0 GEADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000866525402 653800573 /nfs/dbraw/zinc/80/05/73/653800573.db2.gz RTSGEPQYWFPUAO-BDJLRTHQSA-N 1 0 387.249 2.330 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cccnc2Cl)c1 ZINC000790924030 653800939 /nfs/dbraw/zinc/80/09/39/653800939.db2.gz ATTHUYLWVUGILU-UHFFFAOYSA-N 1 0 383.901 2.496 20 0 GEADRO CN(CCN(C)S(=O)(=O)c1cc(Cl)cnc1Cl)C1CC[NH+](C)CC1 ZINC000866544861 653801516 /nfs/dbraw/zinc/80/15/16/653801516.db2.gz CWHBSFYTZFCTFG-UHFFFAOYSA-N 1 0 395.356 2.035 20 0 GEADRO CN(C)S(=O)(=O)c1cc(Cl)ccc1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000791033531 653802731 /nfs/dbraw/zinc/80/27/31/653802731.db2.gz DPHYGTXYELTZNS-UHFFFAOYSA-N 1 0 379.825 2.457 20 0 GEADRO CC1(C)C[NH2+]CCN1C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844166137 653802830 /nfs/dbraw/zinc/80/28/30/653802830.db2.gz PUSWVTLOHXZMLO-UHFFFAOYSA-N 1 0 378.523 2.139 20 0 GEADRO CCOC(=O)c1csc(CNC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)n1 ZINC000844188007 653803077 /nfs/dbraw/zinc/80/30/77/653803077.db2.gz TVVFEBFWMWUSAQ-LLVKDONJSA-N 1 0 382.873 2.383 20 0 GEADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866580895 653803702 /nfs/dbraw/zinc/80/37/02/653803702.db2.gz VAYRNTQIGYYAFA-UHFFFAOYSA-N 1 0 382.452 2.180 20 0 GEADRO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844278342 653804404 /nfs/dbraw/zinc/80/44/04/653804404.db2.gz OVDZODUZJZABNK-KBPBESRZSA-N 1 0 386.279 2.428 20 0 GEADRO COC[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1cccc(Br)c1 ZINC000866597369 653805377 /nfs/dbraw/zinc/80/53/77/653805377.db2.gz RJWJEQHLYUCQLM-XOYHFGRZSA-N 1 0 396.285 2.247 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Br)cn2ccnc12 ZINC000866607505 653805885 /nfs/dbraw/zinc/80/58/85/653805885.db2.gz CTEVEBDNHHUGSA-AWEZNQCLSA-N 1 0 393.285 2.080 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000866629513 653806907 /nfs/dbraw/zinc/80/69/07/653806907.db2.gz HVXNKRPVVZYXBC-OASPWFOLSA-N 1 0 375.254 2.318 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000791253103 653806922 /nfs/dbraw/zinc/80/69/22/653806922.db2.gz FHXDRFKWVIHWLE-NVXWUHKLSA-N 1 0 375.296 2.332 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000791253102 653806986 /nfs/dbraw/zinc/80/69/86/653806986.db2.gz FHXDRFKWVIHWLE-DOTOQJQBSA-N 1 0 375.296 2.332 20 0 GEADRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1c(I)cnn1C)C2 ZINC000866631027 653807180 /nfs/dbraw/zinc/80/71/80/653807180.db2.gz CAJAQCAIEKLOPH-NSHDSACASA-N 1 0 399.232 2.127 20 0 GEADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(Br)n[nH]1 ZINC000791350365 653810144 /nfs/dbraw/zinc/81/01/44/653810144.db2.gz JPRDMDWPNIOFRN-CQSZACIVSA-N 1 0 377.286 2.467 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(N)nc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000821894965 653811523 /nfs/dbraw/zinc/81/15/23/653811523.db2.gz RENYCOLHTXCULL-NWDGAFQWSA-N 1 0 385.331 2.078 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000844654067 653811863 /nfs/dbraw/zinc/81/18/63/653811863.db2.gz JBWIRUHKIRMXRR-UHFFFAOYSA-N 1 0 389.949 2.298 20 0 GEADRO CC(C)[C@@H](C[NH2+][C@H](C)C1CCS(=O)(=O)CC1)ONC(=O)OC(C)(C)C ZINC000895030179 653813589 /nfs/dbraw/zinc/81/35/89/653813589.db2.gz LLMMBGYNAKEJST-UKRRQHHQSA-N 1 0 378.535 2.270 20 0 GEADRO CNC(=O)CCC[N@H+](C)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844696842 653813941 /nfs/dbraw/zinc/81/39/41/653813941.db2.gz BVKXXGFMLJOZRF-UHFFFAOYSA-N 1 0 380.286 2.090 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1cc2nc(Cl)ncc2s1 ZINC000866735792 653816887 /nfs/dbraw/zinc/81/68/87/653816887.db2.gz ROIMYACYLRGGJY-UHFFFAOYSA-N 1 0 397.913 2.198 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000866739179 653817464 /nfs/dbraw/zinc/81/74/64/653817464.db2.gz ZHZVPRSXCFTCLK-LLVKDONJSA-N 1 0 377.304 2.019 20 0 GEADRO Cn1nc2c(c1C[NH2+]CCCS(=O)(=O)Cc1ccccc1)CSCC2 ZINC000882905575 653818024 /nfs/dbraw/zinc/81/80/24/653818024.db2.gz KZHYDDYXEYVVRF-UHFFFAOYSA-N 1 0 379.551 2.304 20 0 GEADRO C[N@H+](CCNc1nc(C(F)(F)F)c(Br)s1)CCOCCO ZINC000882950991 653819234 /nfs/dbraw/zinc/81/92/34/653819234.db2.gz JOZWSWSUZQXLSC-UHFFFAOYSA-N 1 0 392.241 2.277 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1csc(I)n1 ZINC000822156447 653819564 /nfs/dbraw/zinc/81/95/64/653819564.db2.gz RMAHBDNASYSJNN-WCBMZHEXSA-N 1 0 377.251 2.104 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000866757502 653820176 /nfs/dbraw/zinc/82/01/76/653820176.db2.gz WPOAKNZFVFWNCD-SRGWNRLKSA-N 1 0 387.571 2.021 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000822237866 653820658 /nfs/dbraw/zinc/82/06/58/653820658.db2.gz KTLXNDRCKVJPSB-XJKSGUPXSA-N 1 0 375.296 2.500 20 0 GEADRO CSc1nc(Cl)c(F)c(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000882986816 653820880 /nfs/dbraw/zinc/82/08/80/653820880.db2.gz KEQTUUMGNDFILL-LBPRGKRZSA-N 1 0 389.928 2.200 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000866766448 653821711 /nfs/dbraw/zinc/82/17/11/653821711.db2.gz RUPUIXZEPWCJIZ-NSHDSACASA-N 1 0 379.320 2.395 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NCCC[NH2+]C1CC1 ZINC000866767971 653821756 /nfs/dbraw/zinc/82/17/56/653821756.db2.gz IQBYNWGEHTYKKB-UHFFFAOYSA-N 1 0 377.304 2.019 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866769912 653822179 /nfs/dbraw/zinc/82/21/79/653822179.db2.gz RQMCOEUXQGDKNN-GHMZBOCLSA-N 1 0 386.930 2.355 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000895216091 653822852 /nfs/dbraw/zinc/82/28/52/653822852.db2.gz TWZZMANXAUWTJM-ZDUSSCGKSA-N 1 0 378.274 2.183 20 0 GEADRO O=S(=O)(N1CCC([NH2+]Cc2cccc3c2CCOC3)CC1)C(F)(F)F ZINC000883036946 653823967 /nfs/dbraw/zinc/82/39/67/653823967.db2.gz DQYKHZIVJABMAM-UHFFFAOYSA-N 1 0 378.416 2.163 20 0 GEADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895234684 653824340 /nfs/dbraw/zinc/82/43/40/653824340.db2.gz HRXSJIVFELDQAM-MCIONIFRSA-N 1 0 389.949 2.289 20 0 GEADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000895267680 653825552 /nfs/dbraw/zinc/82/55/52/653825552.db2.gz IITSGSBFRUDUTA-LBPRGKRZSA-N 1 0 391.269 2.225 20 0 GEADRO C[NH+](C)CCCOC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000791825307 653825919 /nfs/dbraw/zinc/82/59/19/653825919.db2.gz MXKNVFGUDPZDPK-UHFFFAOYSA-N 1 0 392.315 2.496 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000866786735 653825993 /nfs/dbraw/zinc/82/59/93/653825993.db2.gz DINNMAHZRKZJQP-HOTGVXAUSA-N 1 0 379.592 2.325 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)N=S2(=O)CCCC2)C1 ZINC000866787442 653826039 /nfs/dbraw/zinc/82/60/39/653826039.db2.gz LUVBKZSKWCQUES-HZPDHXFCSA-N 1 0 377.576 2.079 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NCc1c(I)cnn1C ZINC000895279158 653826281 /nfs/dbraw/zinc/82/62/81/653826281.db2.gz ROQZQMARKPITNK-GFCCVEGCSA-N 1 0 376.286 2.235 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000866796632 653828119 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COc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000866808588 653830057 /nfs/dbraw/zinc/83/00/57/653830057.db2.gz VUUKZBZYUHWOBQ-ZSBIGDGJSA-N 1 0 389.315 2.267 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866809391 653830290 /nfs/dbraw/zinc/83/02/90/653830290.db2.gz HZYRVLBQJUCRAW-LMKPVCQUSA-N 1 0 389.315 2.267 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000895369560 653830545 /nfs/dbraw/zinc/83/05/45/653830545.db2.gz VMUMZGVWKOKOFB-IINYFYTJSA-N 1 0 389.315 2.463 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc(Br)cc2c1OCC2)C1CC[NH2+]CC1 ZINC000866810744 653830582 /nfs/dbraw/zinc/83/05/82/653830582.db2.gz CAOIYVUFVDLTKM-SNVBAGLBSA-N 1 0 389.315 2.050 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000866810334 653830738 /nfs/dbraw/zinc/83/07/38/653830738.db2.gz UUSPACQJDAIOOL-ZSBIGDGJSA-N 1 0 389.880 2.246 20 0 GEADRO COC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000883174422 653831253 /nfs/dbraw/zinc/83/12/53/653831253.db2.gz KJZOZYQOIUMYFO-HOCLYGCPSA-N 1 0 385.302 2.210 20 0 GEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984665 653831562 /nfs/dbraw/zinc/83/15/62/653831562.db2.gz NMIFLWCXOUAQDR-KGLIPLIRSA-N 1 0 377.360 2.428 20 0 GEADRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1nc[nH]c1Br ZINC000866819873 653832245 /nfs/dbraw/zinc/83/22/45/653832245.db2.gz MMDCRFMQQMBNSV-UHFFFAOYSA-N 1 0 393.351 2.305 20 0 GEADRO CC(C)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)C(=O)N1CCCC1 ZINC000895405866 653832773 /nfs/dbraw/zinc/83/27/73/653832773.db2.gz PDRPINLHYMDUKN-UHFFFAOYSA-N 1 0 386.949 2.371 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(Br)cc2C)CC[NH2+]CC1 ZINC000866821516 653832646 /nfs/dbraw/zinc/83/26/46/653832646.db2.gz IKRYTWNOWDQOBJ-UHFFFAOYSA-N 1 0 391.331 2.195 20 0 GEADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1C(F)(F)F ZINC000866822009 653833007 /nfs/dbraw/zinc/83/30/07/653833007.db2.gz BKGBXNXKOAERRF-LBPRGKRZSA-N 1 0 380.436 2.078 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc3nc(Cl)sc3c2)CC[NH2+]CC1 ZINC000866822091 653833116 /nfs/dbraw/zinc/83/31/16/653833116.db2.gz VWEACDKIKRTNTC-UHFFFAOYSA-N 1 0 389.930 2.387 20 0 GEADRO COc1c[nH+]ccc1N1CCN(C(=O)c2csc(Br)n2)CC1 ZINC000822606993 653833591 /nfs/dbraw/zinc/83/35/91/653833591.db2.gz MYPUAUMFEJYKGD-UHFFFAOYSA-N 1 0 383.271 2.272 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866826661 653833746 /nfs/dbraw/zinc/83/37/46/653833746.db2.gz AQXUOLWOANBIDE-QWHCGFSZSA-N 1 0 380.491 2.203 20 0 GEADRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000822692886 653836314 /nfs/dbraw/zinc/83/63/14/653836314.db2.gz JQSVAXAPAGXNND-GFCCVEGCSA-N 1 0 378.416 2.442 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883362150 653837166 /nfs/dbraw/zinc/83/71/66/653837166.db2.gz VKXZVEGARFJYLS-CABZTGNLSA-N 1 0 390.374 2.160 20 0 GEADRO Cc1ccnc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c1Br ZINC000883371577 653837594 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COC(=O)[C@@]1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C[C@@H]1S(C)(=O)=O ZINC000895511536 653838763 /nfs/dbraw/zinc/83/87/63/653838763.db2.gz UUOVULKGSRRTAW-XPLGWORNSA-N 1 0 391.942 2.459 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883423080 653839557 /nfs/dbraw/zinc/83/95/57/653839557.db2.gz BRVOLPTUVKQHIK-UBHSHLNASA-N 1 0 385.281 2.195 20 0 GEADRO [NH3+]CCCN(CC(=O)Nc1ccnn1Cc1cccs1)CC(F)(F)F ZINC000883443839 653839913 /nfs/dbraw/zinc/83/99/13/653839913.db2.gz JZZIBTNGLFXZFO-UHFFFAOYSA-N 1 0 375.420 2.145 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000866871422 653840667 /nfs/dbraw/zinc/84/06/67/653840667.db2.gz MDQZLOAKANFUBG-VXGBXAGGSA-N 1 0 391.331 2.360 20 0 GEADRO O=C(Nc1nncs1)c1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)nc1 ZINC000895567467 653840891 /nfs/dbraw/zinc/84/08/91/653840891.db2.gz PZGFKMVQYNVWGJ-CHWSQXEVSA-N 1 0 376.511 2.177 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000866892778 653845019 /nfs/dbraw/zinc/84/50/19/653845019.db2.gz XHQLLSRVTKIKDH-LFPIHBKWSA-N 1 0 391.534 2.191 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N2CC[NH2+]CCC23CCC3)cc1Cl ZINC000883542657 653845361 /nfs/dbraw/zinc/84/53/61/653845361.db2.gz PHOVBRHGZOHREV-UHFFFAOYSA-N 1 0 386.905 2.461 20 0 GEADRO C[C@H](C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000895677993 653845433 /nfs/dbraw/zinc/84/54/33/653845433.db2.gz QSLYTXQNVJHOBH-BXKDBHETSA-N 1 0 375.359 2.342 20 0 GEADRO O[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)C(F)(F)C(F)(F)F ZINC000895679403 653845488 /nfs/dbraw/zinc/84/54/88/653845488.db2.gz ZYNOHENZVZWSIN-MRVPVSSYSA-N 1 0 389.122 2.140 20 0 GEADRO O[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)C(F)(F)C(F)(F)F ZINC000895678807 653845551 /nfs/dbraw/zinc/84/55/51/653845551.db2.gz WBBVFHNXXBSPPQ-QMMMGPOBSA-N 1 0 395.781 2.281 20 0 GEADRO O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc2c[nH+]cn2c1 ZINC000792549302 653845832 /nfs/dbraw/zinc/84/58/32/653845832.db2.gz DCKZHBZDEIPVNT-UHFFFAOYSA-N 1 0 399.204 2.462 20 0 GEADRO CC[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)[C@@H](O)c1c(F)cccc1F ZINC000866899946 653846340 /nfs/dbraw/zinc/84/63/40/653846340.db2.gz ZFEOEIWOPANZCR-DOTOQJQBSA-N 1 0 376.469 2.182 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)C1 ZINC000866904253 653846931 /nfs/dbraw/zinc/84/69/31/653846931.db2.gz IBJCWKLMCIANRJ-KBPBESRZSA-N 1 0 387.373 2.333 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000866902532 653846942 /nfs/dbraw/zinc/84/69/42/653846942.db2.gz DTCWRTYNDJMXRU-UPCLLVRISA-N 1 0 385.555 2.052 20 0 GEADRO C[C@@H]1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)[C@H](C[NH3+])C1 ZINC000883593566 653847089 /nfs/dbraw/zinc/84/70/89/653847089.db2.gz MAOGGBBFXROZDI-KOLCDFICSA-N 1 0 397.273 2.371 20 0 GEADRO CC(C)C[C@H](NC(=O)NCC[C@]1(C)C[C@]1(F)Cl)C(=O)NCC[NH+](C)C ZINC000845408825 653847242 /nfs/dbraw/zinc/84/72/42/653847242.db2.gz RUXUCCYIHZSVJC-IAOVAPTHSA-N 1 0 378.920 2.083 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)c(Cl)c1 ZINC000883622168 653847979 /nfs/dbraw/zinc/84/79/79/653847979.db2.gz JDOZRAWZJHUQRY-UHFFFAOYSA-N 1 0 378.885 2.395 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866939850 653852494 /nfs/dbraw/zinc/85/24/94/653852494.db2.gz DVTFEHFFVWIIAQ-GRYCIOLGSA-N 1 0 382.452 2.084 20 0 GEADRO O=C(NCc1ccc(Br)cn1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883803740 653853791 /nfs/dbraw/zinc/85/37/91/653853791.db2.gz NGRNBFWRMXGCFH-UHFFFAOYSA-N 1 0 397.317 2.287 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000823133672 653855181 /nfs/dbraw/zinc/85/51/81/653855181.db2.gz PCNMAIXLQNAHLX-OCCSQVGLSA-N 1 0 380.286 2.428 20 0 GEADRO O=C(CNC(=O)C1C[NH+](C2CCOCC2)C1)Nc1cc(Cl)ccc1Cl ZINC000895897886 653856047 /nfs/dbraw/zinc/85/60/47/653856047.db2.gz HBFGUMQFJIDIIJ-UHFFFAOYSA-N 1 0 386.279 2.159 20 0 GEADRO Brc1cccc(-c2nc(-c3noc(C[C@@H]4CC[NH2+]C4)n3)n[nH]2)c1 ZINC000823185907 653856833 /nfs/dbraw/zinc/85/68/33/653856833.db2.gz WZLBQPNQTVKONG-VIFPVBQESA-N 1 0 375.230 2.436 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[N@@H+]1CCCC[C@@H]1C ZINC000792952972 653857026 /nfs/dbraw/zinc/85/70/26/653857026.db2.gz LQYMGRWGYILHMK-NWDGAFQWSA-N 1 0 383.290 2.162 20 0 GEADRO CC[S@@](C)(=O)=NS(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000866968950 653857635 /nfs/dbraw/zinc/85/76/35/653857635.db2.gz QPFSFXQBFSSYJN-NPMXOYFQSA-N 1 0 379.592 2.325 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)nc1Br ZINC000792969460 653858287 /nfs/dbraw/zinc/85/82/87/653858287.db2.gz PGHSZIVZBSODPZ-AAEUAGOBSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)n1ncc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1Br ZINC000866976010 653858923 /nfs/dbraw/zinc/85/89/23/653858923.db2.gz JKKOUHVEDXPICE-UHFFFAOYSA-N 1 0 396.289 2.202 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792988267 653859210 /nfs/dbraw/zinc/85/92/10/653859210.db2.gz UQTVKLQOWYTFJB-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000895983427 653859724 /nfs/dbraw/zinc/85/97/24/653859724.db2.gz NJFAGNNNPZRUNB-ZIAGYGMSSA-N 1 0 383.290 2.231 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895981291 653859774 /nfs/dbraw/zinc/85/97/74/653859774.db2.gz DOHGSVPXJLJXHV-GWCFXTLKSA-N 1 0 389.315 2.331 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884009393 653859936 /nfs/dbraw/zinc/85/99/36/653859936.db2.gz VKCQSRLNFWNZRN-SECBINFHSA-N 1 0 384.665 2.117 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000823267206 653859918 /nfs/dbraw/zinc/85/99/18/653859918.db2.gz QWPSIBRGUWFFKO-CYBMUJFWSA-N 1 0 385.965 2.103 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884026946 653860872 /nfs/dbraw/zinc/86/08/72/653860872.db2.gz PGBDECXALURNRN-SNVBAGLBSA-N 1 0 398.692 2.413 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884027997 653860893 /nfs/dbraw/zinc/86/08/93/653860893.db2.gz UIBIJFOCQKPYCY-JTQLQIEISA-N 1 0 398.692 2.365 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884026945 653860936 /nfs/dbraw/zinc/86/09/36/653860936.db2.gz PGBDECXALURNRN-JTQLQIEISA-N 1 0 398.692 2.413 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)c2c(C)[nH]nc2I)CC1 ZINC000896021463 653861051 /nfs/dbraw/zinc/86/10/51/653861051.db2.gz AVKSMYHACUCHLC-UHFFFAOYSA-N 1 0 390.269 2.175 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[C@H]1[NH3+] ZINC000884034165 653861064 /nfs/dbraw/zinc/86/10/64/653861064.db2.gz ZFWMFNNVALPZSN-GXSJLCMTSA-N 1 0 398.692 2.493 20 0 GEADRO CN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000884028562 653861074 /nfs/dbraw/zinc/86/10/74/653861074.db2.gz KHKRAEOXUDVCBU-SECBINFHSA-N 1 0 384.665 2.117 20 0 GEADRO COc1ccc(Br)cc1C1(c2noc(C[C@@H]3COCC[NH2+]3)n2)CC1 ZINC000823295213 653861236 /nfs/dbraw/zinc/86/12/36/653861236.db2.gz DWSACRBSCVXXCO-GFCCVEGCSA-N 1 0 394.269 2.452 20 0 GEADRO CCCNC(=O)C1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884066860 653862009 /nfs/dbraw/zinc/86/20/09/653862009.db2.gz LXLPMMSSNUSIOM-OAHLLOKOSA-N 1 0 382.302 2.214 20 0 GEADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000896048155 653862158 /nfs/dbraw/zinc/86/21/58/653862158.db2.gz BOPHQMFUAVWENP-PBHICJAKSA-N 1 0 395.297 2.070 20 0 GEADRO Brc1cccc(-n2cc(-c3nc(N4CC[NH2+]CC4)no3)cn2)c1 ZINC000823314926 653862321 /nfs/dbraw/zinc/86/23/21/653862321.db2.gz ICHOJSWOYPSPNP-UHFFFAOYSA-N 1 0 375.230 2.094 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000866996078 653862589 /nfs/dbraw/zinc/86/25/89/653862589.db2.gz OXCLDLMLTCAVFV-AAVRWANBSA-N 1 0 385.357 2.084 20 0 GEADRO C[C@@H]1[C@H](COC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC[N@@H+]1C ZINC000845814252 653864060 /nfs/dbraw/zinc/86/40/60/653864060.db2.gz LOKGKRACZGABSH-ILXRZTDVSA-N 1 0 386.539 2.175 20 0 GEADRO CC(C)[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000884120245 653864488 /nfs/dbraw/zinc/86/44/88/653864488.db2.gz HOXBEOBTMXRXCK-UONOGXRCSA-N 1 0 380.432 2.281 20 0 GEADRO CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884115067 653864619 /nfs/dbraw/zinc/86/46/19/653864619.db2.gz IONSUYTVQOGPBT-ZFWWWQNUSA-N 1 0 382.302 2.214 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)nc1Br ZINC000793061825 653864769 /nfs/dbraw/zinc/86/47/69/653864769.db2.gz LOZAMDMKBUQXJH-ZDUSSCGKSA-N 1 0 395.301 2.224 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC(N2CCCC2=O)CC1)c1ccc(Br)cc1 ZINC000884126138 653864997 /nfs/dbraw/zinc/86/49/97/653864997.db2.gz RYHRQVWTSLPZFV-INIZCTEOSA-N 1 0 380.286 2.062 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884136779 653865288 /nfs/dbraw/zinc/86/52/88/653865288.db2.gz UZDZBDJGKGWXPV-YUELXQCFSA-N 1 0 382.302 2.212 20 0 GEADRO CN(CCCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)CC(F)(F)F ZINC000884192902 653867500 /nfs/dbraw/zinc/86/75/00/653867500.db2.gz QOFZSKZXHGXZMZ-GFCCVEGCSA-N 1 0 382.224 2.449 20 0 GEADRO [NH3+][C@H](C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884192857 653867630 /nfs/dbraw/zinc/86/76/30/653867630.db2.gz PVXGMEIOSJAYJO-GWCFXTLKSA-N 1 0 394.235 2.449 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(Cc2cscn2)CC1)c1ccc(Br)cc1 ZINC000884198996 653867806 /nfs/dbraw/zinc/86/78/06/653867806.db2.gz MGAYNHLSWOSJMS-OAHLLOKOSA-N 1 0 395.326 2.250 20 0 GEADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H](N)c2ccc(Br)cc2)CC1 ZINC000884217263 653868345 /nfs/dbraw/zinc/86/83/45/653868345.db2.gz JZTBTPNNBRZRCN-INIZCTEOSA-N 1 0 398.345 2.455 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2csc(Br)n2)CC1 ZINC000823457791 653869160 /nfs/dbraw/zinc/86/91/60/653869160.db2.gz DJKYAFWSTYHZMZ-UHFFFAOYSA-N 1 0 375.336 2.052 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884254081 653869381 /nfs/dbraw/zinc/86/93/81/653869381.db2.gz DSVGFRBXMRJFTP-GXSJLCMTSA-N 1 0 398.692 2.411 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884275161 653869917 /nfs/dbraw/zinc/86/99/17/653869917.db2.gz FFOWBUUPJAKHBY-SECBINFHSA-N 1 0 386.681 2.411 20 0 GEADRO CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884306483 653871153 /nfs/dbraw/zinc/87/11/53/653871153.db2.gz GBXJQNHAFVEPCT-UONOGXRCSA-N 1 0 384.274 2.186 20 0 GEADRO [NH3+][C@H](C(=O)N1CCN(Cc2ccncc2)CC1)c1ccc(Br)cc1 ZINC000884305062 653871185 /nfs/dbraw/zinc/87/11/85/653871185.db2.gz KRXGJLCXIJUGJJ-KRWDZBQOSA-N 1 0 389.297 2.188 20 0 GEADRO O=C(NCc1ccsc1Br)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884312577 653871621 /nfs/dbraw/zinc/87/16/21/653871621.db2.gz JJZJWLGACQGPIH-UHFFFAOYSA-N 1 0 381.299 2.245 20 0 GEADRO [NH3+][C@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000884317281 653872054 /nfs/dbraw/zinc/87/20/54/653872054.db2.gz QGQCUJGHMXHHNF-HOCLYGCPSA-N 1 0 375.270 2.239 20 0 GEADRO C[NH2+]CCCN(C)C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884343447 653873469 /nfs/dbraw/zinc/87/34/69/653873469.db2.gz ZGXFTPXOTJOMNT-UHFFFAOYSA-N 1 0 386.681 2.365 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(OC(F)F)c(Br)c2)CCCO1 ZINC000884342323 653873497 /nfs/dbraw/zinc/87/34/97/653873497.db2.gz YBVWREPOZSHXSY-JTQLQIEISA-N 1 0 379.201 2.240 20 0 GEADRO O=C(NCCC1SCCS1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000823601441 653873571 /nfs/dbraw/zinc/87/35/71/653873571.db2.gz DGIDYHMITUNRTM-INIZCTEOSA-N 1 0 381.567 2.249 20 0 GEADRO CC1(C)[C@H](NC(=O)c2cc(F)c(F)cc2I)C[C@@H]1[NH3+] ZINC000884355075 653874123 /nfs/dbraw/zinc/87/41/23/653874123.db2.gz FQECYEGWXAZKLM-WDEREUQCSA-N 1 0 380.176 2.425 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000845975817 653875500 /nfs/dbraw/zinc/87/55/00/653875500.db2.gz PXOLTYHXZKKIAZ-CABCVRRESA-N 1 0 380.917 2.045 20 0 GEADRO Cc1c(C[NH3+])c(NC(=O)COCCc2ccc(Br)cc2)nn1C ZINC000884393691 653875508 /nfs/dbraw/zinc/87/55/08/653875508.db2.gz JMUYONIHIUZJGL-UHFFFAOYSA-N 1 0 381.274 2.148 20 0 GEADRO COC(=O)C(C)(C)n1ccc(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884410787 653875815 /nfs/dbraw/zinc/87/58/15/653875815.db2.gz SZNLOUNKDXHUQR-ZDUSSCGKSA-N 1 0 395.257 2.192 20 0 GEADRO Cn1ncc(Br)c1CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000884408263 653875862 /nfs/dbraw/zinc/87/58/62/653875862.db2.gz BQZJZGYEPOHDPG-OAHLLOKOSA-N 1 0 379.258 2.025 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)c1cc(Br)nn1-c1ncccc1Cl ZINC000884416334 653876268 /nfs/dbraw/zinc/87/62/68/653876268.db2.gz YMVOOBXGYVARKO-UHFFFAOYSA-N 1 0 396.676 2.165 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000884435612 653876869 /nfs/dbraw/zinc/87/68/69/653876869.db2.gz CTDCRYKJMWAQGK-WBVHZDCISA-N 1 0 386.945 2.416 20 0 GEADRO O=C(NCc1cccc2c1CC[NH2+]C2)c1nn2c(c1Br)CCC2 ZINC000884451309 653877239 /nfs/dbraw/zinc/87/72/39/653877239.db2.gz LKMBNAUQOOARDF-UHFFFAOYSA-N 1 0 375.270 2.168 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884459660 653877584 /nfs/dbraw/zinc/87/75/84/653877584.db2.gz IHJBGYFKFPNMJH-WDBKCZKBSA-N 1 0 381.270 2.164 20 0 GEADRO CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000884462556 653877595 /nfs/dbraw/zinc/87/75/95/653877595.db2.gz IBTDADYFTNVQLU-ZFWWWQNUSA-N 1 0 395.297 2.425 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)c1c[nH]nc1I)C(C)(C)C ZINC000896409786 653878712 /nfs/dbraw/zinc/87/87/12/653878712.db2.gz MVFRGVYQCREGCY-SNVBAGLBSA-N 1 0 378.258 2.111 20 0 GEADRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000793528168 653879576 /nfs/dbraw/zinc/87/95/76/653879576.db2.gz SERBXSYDRVHITJ-DLBZAZTESA-N 1 0 384.567 2.201 20 0 GEADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000823789627 653879883 /nfs/dbraw/zinc/87/98/83/653879883.db2.gz NAIIEKDNOSCULP-UHFFFAOYSA-N 1 0 393.322 2.187 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@@]2(C1)CCCOC2 ZINC000793620356 653881111 /nfs/dbraw/zinc/88/11/11/653881111.db2.gz OFVMSUGQCJRYCY-WMLDXEAASA-N 1 0 387.933 2.207 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000793685783 653882380 /nfs/dbraw/zinc/88/23/80/653882380.db2.gz CNEFULLUCKIAMZ-NSHDSACASA-N 1 0 379.498 2.272 20 0 GEADRO C[NH+](C)CCCC1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000867122188 653882548 /nfs/dbraw/zinc/88/25/48/653882548.db2.gz SZTMSFGPDDGLIO-UHFFFAOYSA-N 1 0 384.318 2.191 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)C[C@H]1[NH+]1CCCC1 ZINC000867124677 653883186 /nfs/dbraw/zinc/88/31/86/653883186.db2.gz OPYREVZSWPICJR-MNOVXSKESA-N 1 0 379.910 2.074 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000884660128 653883591 /nfs/dbraw/zinc/88/35/91/653883591.db2.gz LXAAIBAJOMGQIX-DFKRKDTASA-N 1 0 398.276 2.104 20 0 GEADRO C[C@@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)[C@@H]1C[N@H+](C)CCN1C ZINC000896551014 653884592 /nfs/dbraw/zinc/88/45/92/653884592.db2.gz BVZJHSYDNAEWMU-WBMJQRKESA-N 1 0 393.329 2.223 20 0 GEADRO C[C@H](NC(=O)c1cc(F)c(F)cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896552631 653884935 /nfs/dbraw/zinc/88/49/35/653884935.db2.gz MXPKQNYHLSSKDP-XPTSAGLGSA-N 1 0 376.245 2.091 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896554398 653885056 /nfs/dbraw/zinc/88/50/56/653885056.db2.gz FZWCZEAXCFHEBL-ONGXEEELSA-N 1 0 390.347 2.192 20 0 GEADRO C[C@@H](NC(=O)c1c(F)cc(Br)cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896556492 653885517 /nfs/dbraw/zinc/88/55/17/653885517.db2.gz PRFPJRXWQJYTAC-NOZJJQNGSA-N 1 0 376.245 2.091 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]CC(=O)N(C)OCC)cc1OC ZINC000846064435 653885762 /nfs/dbraw/zinc/88/57/62/653885762.db2.gz JHYZQSBDEKPQCM-UHFFFAOYSA-N 1 0 375.263 2.356 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884716533 653885969 /nfs/dbraw/zinc/88/59/69/653885969.db2.gz BCJPTUJKFWSPSP-ZANVPECISA-N 1 0 377.794 2.089 20 0 GEADRO O=Cc1ccc(OCC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000824106888 653886074 /nfs/dbraw/zinc/88/60/74/653886074.db2.gz SIOQDBBCORNFOM-OKILXGFUSA-N 1 0 381.270 2.383 20 0 GEADRO C[C@H](NC(=O)CCCOc1ccccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896570928 653886086 /nfs/dbraw/zinc/88/60/86/653886086.db2.gz NGOCIPRZIDUXTI-GOEBONIOSA-N 1 0 398.345 2.359 20 0 GEADRO COc1ccc(CCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1Br ZINC000896572550 653886336 /nfs/dbraw/zinc/88/63/36/653886336.db2.gz QICRXTLQCAXDOJ-CZUORRHYSA-N 1 0 398.345 2.141 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000884729959 653886786 /nfs/dbraw/zinc/88/67/86/653886786.db2.gz ZGAQXJXMTAYLBE-VXGBXAGGSA-N 1 0 392.297 2.461 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884732335 653886821 /nfs/dbraw/zinc/88/68/21/653886821.db2.gz MWRPDHITKYXEBI-UHFFFAOYSA-N 1 0 396.329 2.232 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C[C@@H]3C=CS(=O)(=O)C3)C2)s1 ZINC000846100791 653887305 /nfs/dbraw/zinc/88/73/05/653887305.db2.gz YOSUAQXYXMJHPY-HOTGVXAUSA-N 1 0 382.551 2.285 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000793872627 653887322 /nfs/dbraw/zinc/88/73/22/653887322.db2.gz MDBZEWYOGIWSBT-ZJUUUORDSA-N 1 0 379.498 2.222 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884774715 653889588 /nfs/dbraw/zinc/88/95/88/653889588.db2.gz PYHFLZRQANRBGB-CQSZACIVSA-N 1 0 396.329 2.268 20 0 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CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000896869042 653897672 /nfs/dbraw/zinc/89/76/72/653897672.db2.gz SMPGSSJPDJTEKP-LBPRGKRZSA-N 1 0 384.489 2.292 20 0 GEADRO CC(C)n1ncc(C(=O)N(C)CCC[NH+](C)C)c1I ZINC000867222994 653897580 /nfs/dbraw/zinc/89/75/80/653897580.db2.gz AJVJTEBFVQRQIJ-UHFFFAOYSA-N 1 0 378.258 2.092 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000884956273 653897814 /nfs/dbraw/zinc/89/78/14/653897814.db2.gz ZHOLWAAQYZKYTA-NWDGAFQWSA-N 1 0 389.315 2.363 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CC2(n3cc(Br)cn3)CC2)C1 ZINC000896912546 653899203 /nfs/dbraw/zinc/89/92/03/653899203.db2.gz ZGVYHJAHWSYXGY-CHWSQXEVSA-N 1 0 376.320 2.080 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CC2(n3cc(Br)cn3)CC2)C1 ZINC000896912549 653899366 /nfs/dbraw/zinc/89/93/66/653899366.db2.gz ZGVYHJAHWSYXGY-STQMWFEESA-N 1 0 376.320 2.080 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974017 653902145 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2.013 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ncc(Br)c2cccnc21 ZINC000897216281 653910626 /nfs/dbraw/zinc/91/06/26/653910626.db2.gz NZTTVKWLNAVZSZ-HUUCEWRRSA-N 1 0 377.286 2.428 20 0 GEADRO Cc1[nH]nc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1Br ZINC000794581200 653912283 /nfs/dbraw/zinc/91/22/83/653912283.db2.gz ZNXFRTYCASXAGD-CYBMUJFWSA-N 1 0 379.258 2.300 20 0 GEADRO C[C@H](NC(=O)Cn1ccc(Br)cc1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000867310070 653913359 /nfs/dbraw/zinc/91/33/59/653913359.db2.gz WHRVUVGKKWULDN-UONOGXRCSA-N 1 0 396.329 2.380 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000846998803 653915022 /nfs/dbraw/zinc/91/50/22/653915022.db2.gz FBCLECSYVVJWDA-LBPRGKRZSA-N 1 0 394.260 2.348 20 0 GEADRO C[C@H]1CN(Cn2c(=O)oc3cccc(Br)c32)CC[N@@H+]1CC(C)(C)O ZINC000794643744 653915403 /nfs/dbraw/zinc/91/54/03/653915403.db2.gz UEQKIRCWOHNQNB-LBPRGKRZSA-N 1 0 398.301 2.092 20 0 GEADRO C[NH+](C)CCOc1cc(NC(=O)C2(n3cc(Br)cn3)CC2)ccn1 ZINC000897319452 653916079 /nfs/dbraw/zinc/91/60/79/653916079.db2.gz KIEKXDQXESWCJD-UHFFFAOYSA-N 1 0 394.273 2.109 20 0 GEADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885201112 653916617 /nfs/dbraw/zinc/91/66/17/653916617.db2.gz QVAMNUVPOCEYAD-UHFFFAOYSA-N 1 0 390.709 2.305 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000897376135 653918334 /nfs/dbraw/zinc/91/83/34/653918334.db2.gz NUARWQHRMACPGL-JTQLQIEISA-N 1 0 390.269 2.317 20 0 GEADRO CCn1nc(C)c(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)n1 ZINC000825134148 653918507 /nfs/dbraw/zinc/91/85/07/653918507.db2.gz VUHCZEAWBALMIJ-ZDUSSCGKSA-N 1 0 397.317 2.318 20 0 GEADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897413373 653920298 /nfs/dbraw/zinc/92/02/98/653920298.db2.gz XUXAJKGNPQKETP-OAHLLOKOSA-N 1 0 378.270 2.267 20 0 GEADRO C[C@H](NC(=O)c1c[nH]nc1I)[C@H](c1ccccc1)[NH+](C)C ZINC000897420666 653920954 /nfs/dbraw/zinc/92/09/54/653920954.db2.gz WVSJXWNCHRMAPH-GXFFZTMASA-N 1 0 398.248 2.436 20 0 GEADRO [NH3+]CC[C@H](NC(=O)/C=C\c1ccc(I)o1)C(F)(F)F ZINC000825202089 653921022 /nfs/dbraw/zinc/92/10/22/653921022.db2.gz PFXBTEVIZUJROX-LTMVXPGCSA-N 1 0 388.127 2.293 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000794815912 653921359 /nfs/dbraw/zinc/92/13/59/653921359.db2.gz MDNZDESUEKVKSB-HNNXBMFYSA-N 1 0 376.316 2.477 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1nccn2c(Br)cnc12 ZINC000847257442 653921925 /nfs/dbraw/zinc/92/19/25/653921925.db2.gz XEDZDZMLCNJJMU-NWDGAFQWSA-N 1 0 378.274 2.239 20 0 GEADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885292678 653923880 /nfs/dbraw/zinc/92/38/80/653923880.db2.gz ZBKTWFCQZNMCTD-JTQLQIEISA-N 1 0 379.860 2.111 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000897498442 653924435 /nfs/dbraw/zinc/92/44/35/653924435.db2.gz QKMPAJWNWKPMOV-LBPRGKRZSA-N 1 0 390.347 2.499 20 0 GEADRO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000825343049 653925602 /nfs/dbraw/zinc/92/56/02/653925602.db2.gz IGZISUSGDGNACH-AWEZNQCLSA-N 1 0 382.258 2.183 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CC2(OCCO)CCC(C(F)F)CC2)C1 ZINC000897540822 653926098 /nfs/dbraw/zinc/92/60/98/653926098.db2.gz DJMMAVUYFBPAHK-GWUWNPHMSA-N 1 0 383.501 2.135 20 0 GEADRO C[C@@]1(CS(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)CC1(Cl)Cl ZINC000867399822 653926700 /nfs/dbraw/zinc/92/67/00/653926700.db2.gz LCYCRXKDFUKDCC-AWEZNQCLSA-N 1 0 385.357 2.087 20 0 GEADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847411790 653927791 /nfs/dbraw/zinc/92/77/91/653927791.db2.gz HOZYIFBRJZMJAR-MAZHCROVSA-N 1 0 384.318 2.464 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CC2)C1)C1=Cc2cc(Br)ccc2OC1 ZINC000795081746 653929420 /nfs/dbraw/zinc/92/94/20/653929420.db2.gz XZILAUWHYSOMQY-ZDUSSCGKSA-N 1 0 399.310 2.339 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)c3cnc(F)c(Br)c3)CC2)CC1 ZINC000847478711 653930408 /nfs/dbraw/zinc/93/04/08/653930408.db2.gz XOVSBHYOUDKCIT-UHFFFAOYSA-N 1 0 399.308 2.083 20 0 GEADRO CN(C(=O)c1nc(F)ccc1Br)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000847484331 653930494 /nfs/dbraw/zinc/93/04/94/653930494.db2.gz BHFKMNOQNZDPBP-ZDUSSCGKSA-N 1 0 399.308 2.224 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000897621536 653931156 /nfs/dbraw/zinc/93/11/56/653931156.db2.gz HIHVUYIKBSXFTD-GUYCJALGSA-N 1 0 380.286 2.495 20 0 GEADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000897691641 653933483 /nfs/dbraw/zinc/93/34/83/653933483.db2.gz FNQIHSWBJCZSNQ-HNNXBMFYSA-N 1 0 379.288 2.188 20 0 GEADRO CC[N@H+](CCC(=O)NC)Cc1ccc(Br)cc1N1CCOCC1 ZINC000897710541 653934543 /nfs/dbraw/zinc/93/45/43/653934543.db2.gz WAHNLEDGDCTCGW-UHFFFAOYSA-N 1 0 384.318 2.244 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cscc2Br)CC[N@@H+]1C ZINC000897713798 653934809 /nfs/dbraw/zinc/93/48/09/653934809.db2.gz MSLWDUCILAZWPV-PWSUYJOCSA-N 1 0 388.331 2.068 20 0 GEADRO O=C(c1nc(F)ccc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000847580397 653935757 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CC(=O)N[C@@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)c1cccc(Br)c1 ZINC000870934968 654209192 /nfs/dbraw/zinc/20/91/92/654209192.db2.gz INLHKXLDPMETKK-BDJLRTHQSA-N 1 0 382.302 2.212 20 0 GEADRO CC[C@H]1CN(C(=O)c2ccc(I)cc2OC)CC[C@H]1[NH3+] ZINC000870939699 654209969 /nfs/dbraw/zinc/20/99/69/654209969.db2.gz BZJQBHUQNJYXDI-GXFFZTMASA-N 1 0 388.249 2.499 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(I)cc2OC)CC[C@H]1[NH3+] ZINC000870939701 654210043 /nfs/dbraw/zinc/21/00/43/654210043.db2.gz BZJQBHUQNJYXDI-ZWNOBZJWSA-N 1 0 388.249 2.499 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[S@@](=O)CC(F)(F)F)C1 ZINC000851980869 654210265 /nfs/dbraw/zinc/21/02/65/654210265.db2.gz LWOHUQXPMBYCQK-FPIQFJIESA-N 1 0 385.496 2.355 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC000851980870 654210276 /nfs/dbraw/zinc/21/02/76/654210276.db2.gz LWOHUQXPMBYCQK-IEBYYPBYSA-N 1 0 385.496 2.355 20 0 GEADRO C[NH+](C)CCCNC(=S)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000920389088 654211079 /nfs/dbraw/zinc/21/10/79/654211079.db2.gz LEPPCXSLKJIRPE-NSHDSACASA-N 1 0 380.341 2.149 20 0 GEADRO C[C@H]([NH2+]CCn1cnc(Br)n1)C1CCN(CC(F)(F)F)CC1 ZINC000852016571 654213119 /nfs/dbraw/zinc/21/31/19/654213119.db2.gz FTVUTRIKLVAWQV-JTQLQIEISA-N 1 0 384.244 2.293 20 0 GEADRO Brc1ncn(CC[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)n1 ZINC000852019143 654213174 /nfs/dbraw/zinc/21/31/74/654213174.db2.gz WHCHYBSAINIECO-UHFFFAOYSA-N 1 0 388.273 2.286 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CCC(CC[NH3+])CC1)c1cccc(Br)c1 ZINC000870950696 654213871 /nfs/dbraw/zinc/21/38/71/654213871.db2.gz MWUBPEAQSJTIJX-INIZCTEOSA-N 1 0 382.302 2.214 20 0 GEADRO CC(C)n1ncc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1I ZINC000870959475 654214303 /nfs/dbraw/zinc/21/43/03/654214303.db2.gz IKJSBTFVWDLWHD-YGRLFVJLSA-N 1 0 388.253 2.022 20 0 GEADRO CC(=O)N[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000870972859 654214873 /nfs/dbraw/zinc/21/48/73/654214873.db2.gz YNQIPVJAAVOYHC-IEAZIUSSSA-N 1 0 394.313 2.273 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000870996003 654215233 /nfs/dbraw/zinc/21/52/33/654215233.db2.gz XJBJPOLIZOHGKO-KRWDZBQOSA-N 1 0 387.933 2.085 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000870994306 654215303 /nfs/dbraw/zinc/21/53/03/654215303.db2.gz OXEIHDXVMGFQKA-INIZCTEOSA-N 1 0 380.290 2.329 20 0 GEADRO O=C(NCCC[NH2+][C@@H]1CCO[C@]12CCOC2)c1cccc(Br)c1 ZINC000903086398 654215725 /nfs/dbraw/zinc/21/57/25/654215725.db2.gz OBFCWRVJNLJWHS-WBVHZDCISA-N 1 0 383.286 2.107 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[NH+](C)C)cc1 ZINC000852059932 654215982 /nfs/dbraw/zinc/21/59/82/654215982.db2.gz PNZCKNHIXDRHQR-PWECECGKSA-N 1 0 379.448 2.208 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903093027 654216391 /nfs/dbraw/zinc/21/63/91/654216391.db2.gz OVKVIXXHGWBDEY-WMZOPIPTSA-N 1 0 397.313 2.335 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCO[C@@H](C(F)F)C1 ZINC000802146835 654216711 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GEADRO COc1ccc(Br)c(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c1F ZINC000903156424 654222681 /nfs/dbraw/zinc/22/26/81/654222681.db2.gz SUSMECHRABPKHV-UHFFFAOYSA-N 1 0 395.294 2.312 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903186092 654224973 /nfs/dbraw/zinc/22/49/73/654224973.db2.gz IEBHOLZDCUFYIM-WBAXXEDZSA-N 1 0 384.314 2.446 20 0 GEADRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903228293 654229291 /nfs/dbraw/zinc/22/92/91/654229291.db2.gz YDTKQCIDLPSWMC-JKSUJKDBSA-N 1 0 388.555 2.017 20 0 GEADRO CCOC(=O)[C@@]1(F)C[N@H+](C[C@@H](O)P(=O)(OCC)OCC)CC12CCC2 ZINC000852317135 654231847 /nfs/dbraw/zinc/23/18/47/654231847.db2.gz LEGZYAZXVRFGRZ-BBRMVZONSA-N 1 0 381.381 2.328 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903272610 654232002 /nfs/dbraw/zinc/23/20/02/654232002.db2.gz WZJAVABQFIIFMW-QGTPRVQTSA-N 1 0 383.583 2.167 20 0 GEADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000903261907 654232075 /nfs/dbraw/zinc/23/20/75/654232075.db2.gz BGMNVTGKEKYKSE-GWUWNPHMSA-N 1 0 383.501 2.135 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)N1CCCC1 ZINC000903291052 654232405 /nfs/dbraw/zinc/23/24/05/654232405.db2.gz MVQRECSIIFZWOU-CQSZACIVSA-N 1 0 377.432 2.493 20 0 GEADRO CC[N@H+](C)C[C@@H](O)CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852334788 654233266 /nfs/dbraw/zinc/23/32/66/654233266.db2.gz AEHDCURAVUSLJS-UTUOFQBUSA-N 1 0 384.156 2.127 20 0 GEADRO CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335681 654233576 /nfs/dbraw/zinc/23/35/76/654233576.db2.gz KIVYXUZXNWEQGT-USWWRNFRSA-N 1 0 399.123 2.128 20 0 GEADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000903323685 654234095 /nfs/dbraw/zinc/23/40/95/654234095.db2.gz GDQVBRROXQSYRL-BXKDBHETSA-N 1 0 384.274 2.417 20 0 GEADRO COc1ccc(C[C@@H](C)[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cn1 ZINC000903325166 654234386 /nfs/dbraw/zinc/23/43/86/654234386.db2.gz JXDKCMWXXCKHRO-YGRLFVJLSA-N 1 0 391.269 2.332 20 0 GEADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000903325172 654234425 /nfs/dbraw/zinc/23/44/25/654234425.db2.gz JZKRJZFLILPTIE-ILXRZTDVSA-N 1 0 379.302 2.314 20 0 GEADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000852351140 654235048 /nfs/dbraw/zinc/23/50/48/654235048.db2.gz IYRXYEPOBAVBHN-IIAWOOMASA-N 1 0 377.453 2.339 20 0 GEADRO CO[C@@]1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CCS(=O)(=O)C1 ZINC000903362633 654235262 /nfs/dbraw/zinc/23/52/62/654235262.db2.gz IGZBNFPHXWPASL-AVVWSFFYSA-N 1 0 388.327 2.488 20 0 GEADRO CO[C@]1(C[NH2+][C@H](C)c2cc(Br)ccc2F)CCS(=O)(=O)C1 ZINC000903366230 654236170 /nfs/dbraw/zinc/23/61/70/654236170.db2.gz CKFSGVLVFIUPJA-YGRLFVJLSA-N 1 0 380.279 2.443 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2F)CCS(=O)(=O)C1 ZINC000903366228 654236265 /nfs/dbraw/zinc/23/62/65/654236265.db2.gz CKFSGVLVFIUPJA-IINYFYTJSA-N 1 0 380.279 2.443 20 0 GEADRO CO[C@@]1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CCS(=O)(=O)C1 ZINC000903367680 654236680 /nfs/dbraw/zinc/23/66/80/654236680.db2.gz IZRVFMIMJYOEBT-LSDHHAIUSA-N 1 0 379.400 2.366 20 0 GEADRO CO[C@]1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCS(=O)(=O)C1 ZINC000903368526 654237165 /nfs/dbraw/zinc/23/71/65/654237165.db2.gz OJPTYGUKCANZNI-HOTGVXAUSA-N 1 0 388.327 2.100 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2C)CCS(=O)(=O)C1 ZINC000903372416 654237649 /nfs/dbraw/zinc/23/76/49/654237649.db2.gz YUCGADZPKKJDAB-GUYCJALGSA-N 1 0 388.917 2.159 20 0 GEADRO O=C(CN[C@H]1CC[NH2+]C12CCC2)Nc1ccccc1I ZINC000903465797 654239974 /nfs/dbraw/zinc/23/99/74/654239974.db2.gz MUAYZMFWDGHLDZ-ZDUSSCGKSA-N 1 0 385.249 2.104 20 0 GEADRO CC(C)CC[NH+]1CCC(CNC(=O)NCC[S@@](=O)CC(F)(F)F)CC1 ZINC000852458371 654241776 /nfs/dbraw/zinc/24/17/76/654241776.db2.gz FVDLGNOHYSMQKH-RUZDIDTESA-N 1 0 385.496 2.355 20 0 GEADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1c[nH]c2cc(Br)ccc21 ZINC000903499273 654241785 /nfs/dbraw/zinc/24/17/85/654241785.db2.gz LEGGGYJHJOTXSI-AWEZNQCLSA-N 1 0 384.299 2.351 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC2CCC([NH3+])CC2)c1F ZINC000903513042 654244384 /nfs/dbraw/zinc/24/43/84/654244384.db2.gz OMGIXAQCFYVVIU-UHFFFAOYSA-N 1 0 381.267 2.145 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000903518810 654246806 /nfs/dbraw/zinc/24/68/06/654246806.db2.gz RYXNWMNGFLGSQJ-NSHDSACASA-N 1 0 379.295 2.479 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1F ZINC000903518826 654246811 /nfs/dbraw/zinc/24/68/11/654246811.db2.gz SGGJNIHHCSWMKK-BDAKNGLRSA-N 1 0 381.267 2.016 20 0 GEADRO CC1([NH+]2CCCCC2)CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000832211871 654246948 /nfs/dbraw/zinc/24/69/48/654246948.db2.gz HTYNPIUAFQNQNL-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N3CCC(C(C)(C)C[NH3+])CC3)cnc2c1Cl ZINC000903521010 654248162 /nfs/dbraw/zinc/24/81/62/654248162.db2.gz DYTNGMGKDDICLT-UHFFFAOYSA-N 1 0 385.921 2.077 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c1F ZINC000903522620 654248688 /nfs/dbraw/zinc/24/86/88/654248688.db2.gz URTDHSUKOIWDEE-UHFFFAOYSA-N 1 0 381.267 2.099 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1F ZINC000903522429 654248696 /nfs/dbraw/zinc/24/86/96/654248696.db2.gz QLZNSYGBHRPASI-NXEZZACHSA-N 1 0 381.267 2.145 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1F ZINC000903523163 654248736 /nfs/dbraw/zinc/24/87/36/654248736.db2.gz VXWPTRRGHWHNPG-CQSZACIVSA-N 1 0 393.278 2.113 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1F ZINC000903525191 654249476 /nfs/dbraw/zinc/24/94/76/654249476.db2.gz CHYRGNUAKCJUHP-MGCOHNPYSA-N 1 0 395.294 2.393 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903525900 654249923 /nfs/dbraw/zinc/24/99/23/654249923.db2.gz UWDRVHISDRQSEK-CHWSQXEVSA-N 1 0 377.279 2.244 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903525903 654250016 /nfs/dbraw/zinc/25/00/16/654250016.db2.gz UWDRVHISDRQSEK-STQMWFEESA-N 1 0 377.279 2.244 20 0 GEADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903532695 654250817 /nfs/dbraw/zinc/25/08/17/654250817.db2.gz KBXPHUWWSBHGAL-XMMPIXPASA-N 1 0 387.571 2.120 20 0 GEADRO [NH3+][C@@H]1CN(CC(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000903535164 654251090 /nfs/dbraw/zinc/25/10/90/654251090.db2.gz MPFXNTMADPZKFE-UONOGXRCSA-N 1 0 379.810 2.047 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000903537807 654251464 /nfs/dbraw/zinc/25/14/64/654251464.db2.gz BVZMBFKKHMUAIJ-UHFFFAOYSA-N 1 0 397.722 2.231 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903538251 654251706 /nfs/dbraw/zinc/25/17/06/654251706.db2.gz AFILUEUSRXHYRY-JLLWLGSASA-N 1 0 398.198 2.326 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903538760 654251848 /nfs/dbraw/zinc/25/18/48/654251848.db2.gz BGBDIHMHABPXBU-ABAIWWIYSA-N 1 0 389.315 2.350 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903539655 654251859 /nfs/dbraw/zinc/25/18/59/654251859.db2.gz PPKQWFYPCJRBLZ-BDAKNGLRSA-N 1 0 397.722 2.245 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903541183 654252206 /nfs/dbraw/zinc/25/22/06/654252206.db2.gz MRHSETMWGGHJRY-UHFFFAOYSA-N 1 0 395.294 2.025 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903540558 654252264 /nfs/dbraw/zinc/25/22/64/654252264.db2.gz WUNWRDFRGISXIG-UTUOFQBUSA-N 1 0 380.208 2.187 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000903543205 654252655 /nfs/dbraw/zinc/25/26/55/654252655.db2.gz SKEGHGXGVOGQAY-UHFFFAOYSA-N 1 0 386.823 2.487 20 0 GEADRO Cn1ncc(S(=O)(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1C(F)(F)F ZINC000903546741 654253289 /nfs/dbraw/zinc/25/32/89/654253289.db2.gz PYSPDJINVIVXSQ-LBPRGKRZSA-N 1 0 380.436 2.111 20 0 GEADRO COc1ccc([C@@H](CNC(=O)NCC2SCCS2)[NH+](C)C)cc1OC ZINC000852663223 654253301 /nfs/dbraw/zinc/25/33/01/654253301.db2.gz ANMVSWWPCGWKRX-CYBMUJFWSA-N 1 0 385.555 2.412 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903547499 654253759 /nfs/dbraw/zinc/25/37/59/654253759.db2.gz SSXCQUUSFWURPD-GFCCVEGCSA-N 1 0 380.436 2.111 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CC[NH2+]CCC12CCOCC2 ZINC000903549797 654254115 /nfs/dbraw/zinc/25/41/15/654254115.db2.gz RNOXPJBDZNCODM-UHFFFAOYSA-N 1 0 376.881 2.153 20 0 GEADRO [NH3+][C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000903550780 654254431 /nfs/dbraw/zinc/25/44/31/654254431.db2.gz MXRBCGPGHQSZJS-CXAGYDPISA-N 1 0 380.853 2.014 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000903553211 654254933 /nfs/dbraw/zinc/25/49/33/654254933.db2.gz BXWPCBPFJMHLLC-BLLLJJGKSA-N 1 0 388.917 2.032 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708332 654255472 /nfs/dbraw/zinc/25/54/72/654255472.db2.gz XMTQNDFFPYMTHZ-MRXNPFEDSA-N 1 0 397.313 2.267 20 0 GEADRO COc1ccc2c(c1)CCC(S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)=C2 ZINC000903572764 654258232 /nfs/dbraw/zinc/25/82/32/654258232.db2.gz DJXMOGGKMCFXKO-HUUCEWRRSA-N 1 0 376.400 2.134 20 0 GEADRO O=S1(=O)N=C(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)c2ccccc21 ZINC000852748435 654258437 /nfs/dbraw/zinc/25/84/37/654258437.db2.gz VMCCFBSLGFVALA-QGZVFWFLSA-N 1 0 375.881 2.478 20 0 GEADRO O=S(=O)(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)nc1 ZINC000903573526 654258841 /nfs/dbraw/zinc/25/88/41/654258841.db2.gz JYKUAKHGMCNUAS-WMLDXEAASA-N 1 0 379.869 2.269 20 0 GEADRO COCCCN(C(=O)c1nn2c(c1Br)CCC2)C1CC[NH+](C)CC1 ZINC000891028631 654259202 /nfs/dbraw/zinc/25/92/02/654259202.db2.gz IOHPKXKGFQFLHS-UHFFFAOYSA-N 1 0 399.333 2.165 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000903573779 654259263 /nfs/dbraw/zinc/25/92/63/654259263.db2.gz JGVAQLJWKFHIHD-LBPRGKRZSA-N 1 0 389.905 2.070 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C[C@H](O)C[NH+]1CCCC1)C2 ZINC000852761969 654259561 /nfs/dbraw/zinc/25/95/61/654259561.db2.gz DFLGDWGOUMOSMS-SNVBAGLBSA-N 1 0 389.315 2.070 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cccc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000903577695 654260073 /nfs/dbraw/zinc/26/00/73/654260073.db2.gz REAVCVDRWGILKA-QWRGUYRKSA-N 1 0 387.221 2.349 20 0 GEADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000852786787 654260390 /nfs/dbraw/zinc/26/03/90/654260390.db2.gz KLWJSFNFURSTOC-HNNXBMFYSA-N 1 0 380.286 2.378 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl ZINC000903578047 654260446 /nfs/dbraw/zinc/26/04/46/654260446.db2.gz AYZAMRINAZWWER-JQWIXIFHSA-N 1 0 399.822 2.199 20 0 GEADRO CC(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903577988 654260492 /nfs/dbraw/zinc/26/04/92/654260492.db2.gz AHBLXRDLLLFATC-UONOGXRCSA-N 1 0 378.416 2.426 20 0 GEADRO C[C@]12CCN(C(=O)[C@@]3(C)CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852901598 654266618 /nfs/dbraw/zinc/26/66/18/654266618.db2.gz LFWVKVALUOEWAV-USWWRNFRSA-N 1 0 380.124 2.341 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000871804544 654260892 /nfs/dbraw/zinc/26/08/92/654260892.db2.gz JDVNOZOYLNVAJL-AAEUAGOBSA-N 1 0 385.917 2.363 20 0 GEADRO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903579138 654261070 /nfs/dbraw/zinc/26/10/70/654261070.db2.gz LWKNBRJJBHXYIR-OLZOCXBDSA-N 1 0 382.452 2.056 20 0 GEADRO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903579141 654261074 /nfs/dbraw/zinc/26/10/74/654261074.db2.gz LWKNBRJJBHXYIR-STQMWFEESA-N 1 0 382.452 2.056 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000903579343 654261103 /nfs/dbraw/zinc/26/11/03/654261103.db2.gz NNHYXSWCBCQQFI-CBAPKCEASA-N 1 0 378.203 2.289 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)[C@H]1CCC[NH2+]C1 ZINC000871805219 654261205 /nfs/dbraw/zinc/26/12/05/654261205.db2.gz QPQUGEPTHOOYDJ-YPMHNXCESA-N 1 0 385.917 2.281 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000903579712 654261279 /nfs/dbraw/zinc/26/12/79/654261279.db2.gz PEFPHBMRIOIKBY-RKDXNWHRSA-N 1 0 392.321 2.485 20 0 GEADRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871807213 654261639 /nfs/dbraw/zinc/26/16/39/654261639.db2.gz ROUBXLDNRBUARX-UHFFFAOYSA-N 1 0 385.917 2.377 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)cc2N1 ZINC000871806720 654261672 /nfs/dbraw/zinc/26/16/72/654261672.db2.gz MPDKPRANULXYBT-DZGCQCFKSA-N 1 0 383.901 2.130 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cscc2Br)CC[C@@H]1C(F)(F)F ZINC000903581610 654261954 /nfs/dbraw/zinc/26/19/54/654261954.db2.gz NLQQEKOLTIQBIT-XPUUQOCRSA-N 1 0 393.250 2.411 20 0 GEADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C(F)(F)F)s1 ZINC000871809337 654262033 /nfs/dbraw/zinc/26/20/33/654262033.db2.gz ABRGEPJPZRERDM-SNVBAGLBSA-N 1 0 384.445 2.204 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC[C@@H]1C(F)(F)F ZINC000903581676 654262080 /nfs/dbraw/zinc/26/20/80/654262080.db2.gz RZFUNGRSUJRXBW-UWVGGRQHSA-N 1 0 383.779 2.381 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903583061 654262537 /nfs/dbraw/zinc/26/25/37/654262537.db2.gz BGWVFLYLAFJZKI-XPTSAGLGSA-N 1 0 393.278 2.099 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000871810891 654262560 /nfs/dbraw/zinc/26/25/60/654262560.db2.gz KEHQGVPWPOFGCN-LDYMZIIASA-N 1 0 392.321 2.343 20 0 GEADRO CC[NH2+]CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000832377427 654262659 /nfs/dbraw/zinc/26/26/59/654262659.db2.gz ABINXMPINNIWBG-UHFFFAOYSA-N 1 0 387.933 2.244 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000871812102 654262902 /nfs/dbraw/zinc/26/29/02/654262902.db2.gz VUXYZSMFFPFXQR-KCJUWKMLSA-N 1 0 387.221 2.207 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@H]1C(F)(F)F ZINC000871812001 654262909 /nfs/dbraw/zinc/26/29/09/654262909.db2.gz UWASCVBLKYVSCH-RKDXNWHRSA-N 1 0 387.221 2.207 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)=NO1 ZINC000852845364 654263297 /nfs/dbraw/zinc/26/32/97/654263297.db2.gz VMQHRDWGYOMPHI-AWEZNQCLSA-N 1 0 380.286 2.481 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)C[C@@H]1C(F)(F)F ZINC000871812857 654263140 /nfs/dbraw/zinc/26/31/40/654263140.db2.gz LQLKQSRMNSTTNS-SVRRBLITSA-N 1 0 378.203 2.146 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@@H]1C(F)(F)F ZINC000871812662 654263287 /nfs/dbraw/zinc/26/32/87/654263287.db2.gz BECGLZUWKJMZRJ-CBAPKCEASA-N 1 0 392.321 2.185 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)C[C@H]1C(F)(F)F ZINC000871812855 654263311 /nfs/dbraw/zinc/26/33/11/654263311.db2.gz LQLKQSRMNSTTNS-HTRCEHHLSA-N 1 0 378.203 2.146 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000921407012 654263668 /nfs/dbraw/zinc/26/36/68/654263668.db2.gz SHERIANVDRQBFX-YPMHNXCESA-N 1 0 382.306 2.258 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000852870695 654264371 /nfs/dbraw/zinc/26/43/71/654264371.db2.gz PZJUWCCXIOTQIR-UHFFFAOYSA-N 1 0 387.311 2.296 20 0 GEADRO COc1cc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)cnc1Cl ZINC000903589456 654264521 /nfs/dbraw/zinc/26/45/21/654264521.db2.gz VRAKABUUJQVODM-JTQLQIEISA-N 1 0 385.848 2.209 20 0 GEADRO CCC[NH2+]CCNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852874986 654264508 /nfs/dbraw/zinc/26/45/08/654264508.db2.gz ZGIQQVVODVTXSR-UHFFFAOYSA-N 1 0 398.248 2.206 20 0 GEADRO C[C@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1(Br)Br ZINC000852874292 654264512 /nfs/dbraw/zinc/26/45/12/654264512.db2.gz JYOLOEQNZPBLCU-LLVKDONJSA-N 1 0 380.124 2.485 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871816079 654264733 /nfs/dbraw/zinc/26/47/33/654264733.db2.gz AFEAUCOOQIXAMB-DLBZAZTESA-N 1 0 388.917 2.318 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871816402 654264757 /nfs/dbraw/zinc/26/47/57/654264757.db2.gz FFFWCUAJMKLLMJ-CXAGYDPISA-N 1 0 380.491 2.251 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871815998 654264795 /nfs/dbraw/zinc/26/47/95/654264795.db2.gz AZKDTUDPLCZZJE-UONOGXRCSA-N 1 0 375.288 2.021 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000871818209 654265127 /nfs/dbraw/zinc/26/51/27/654265127.db2.gz JOEOWXURXWOEIJ-LLVKDONJSA-N 1 0 380.436 2.030 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903590676 654265206 /nfs/dbraw/zinc/26/52/06/654265206.db2.gz YMSILLYQVOXATE-CXAGYDPISA-N 1 0 388.917 2.257 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871818523 654265149 /nfs/dbraw/zinc/26/51/49/654265149.db2.gz HNYNILPEANFEKQ-KBPBESRZSA-N 1 0 393.278 2.160 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)ccc1Br ZINC000903593363 654265638 /nfs/dbraw/zinc/26/56/38/654265638.db2.gz LZYDZIFPCXTLJH-HNNXBMFYSA-N 1 0 387.299 2.168 20 0 GEADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852886943 654265654 /nfs/dbraw/zinc/26/56/54/654265654.db2.gz AABGPFYGYTZRKN-SECBINFHSA-N 1 0 385.218 2.060 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000871821010 654266043 /nfs/dbraw/zinc/26/60/43/654266043.db2.gz ZCKMNLOMBCHBKH-HUUCEWRRSA-N 1 0 388.331 2.078 20 0 GEADRO CN(CCCCCC[NH3+])S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000871821355 654266113 /nfs/dbraw/zinc/26/61/13/654266113.db2.gz QASLQPGFJNALJJ-UHFFFAOYSA-N 1 0 381.420 2.327 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903595926 654266170 /nfs/dbraw/zinc/26/61/70/654266170.db2.gz MJTNWTIMQQJZRQ-AWEZNQCLSA-N 1 0 393.278 2.113 20 0 GEADRO C[C@]12CCN(C(=O)CC3(C[NH3+])CC3)C[C@H]1C2(Br)Br ZINC000852901993 654266955 /nfs/dbraw/zinc/26/69/55/654266955.db2.gz YTWSFSVJLIEBCP-KOLCDFICSA-N 1 0 380.124 2.470 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)ccc1Cl ZINC000832451944 654267663 /nfs/dbraw/zinc/26/76/63/654267663.db2.gz HBKKBGDGRWHIMJ-LBPRGKRZSA-N 1 0 387.933 2.228 20 0 GEADRO CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000891148725 654268295 /nfs/dbraw/zinc/26/82/95/654268295.db2.gz LFPHGSUYUMWZAX-VWLOTQADSA-N 1 0 386.587 2.236 20 0 GEADRO C[C@@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)cc2)C1 ZINC000903618643 654268579 /nfs/dbraw/zinc/26/85/79/654268579.db2.gz NTPXACRPMPPNQE-SHACYNPGSA-N 1 0 388.559 2.150 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C=C1CC[NH2+]CC1)C2 ZINC000852923231 654268769 /nfs/dbraw/zinc/26/87/69/654268769.db2.gz AQQQMGMOSMIKPU-UHFFFAOYSA-N 1 0 385.283 2.449 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000852919754 654268839 /nfs/dbraw/zinc/26/88/39/654268839.db2.gz AUTRZLDVJNBVHW-STQMWFEESA-N 1 0 387.933 2.098 20 0 GEADRO C[C@H](NC(=O)c1ccc2ncc(I)n2c1)[C@@H]1CCC[NH2+]C1 ZINC000832498225 654270218 /nfs/dbraw/zinc/27/02/18/654270218.db2.gz XJCOAVIEVHCTDF-WDEREUQCSA-N 1 0 398.248 2.057 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2c(Br)cnn2C)(C(F)(F)F)CC1 ZINC000891211680 654271978 /nfs/dbraw/zinc/27/19/78/654271978.db2.gz IUQYVJHKQPUWOL-UHFFFAOYSA-N 1 0 383.212 2.329 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000853081517 654277619 /nfs/dbraw/zinc/27/76/19/654277619.db2.gz SHCQHXTWBLUQDC-LLVKDONJSA-N 1 0 397.806 2.407 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)c2cccn3c(I)cnc23)CC1 ZINC000832587263 654278955 /nfs/dbraw/zinc/27/89/55/654278955.db2.gz RPZURDCNXMNADU-JTQLQIEISA-N 1 0 398.248 2.138 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)c2ccccn2)cc1Br ZINC000853111161 654279682 /nfs/dbraw/zinc/27/96/82/654279682.db2.gz OMBUILXTGSPTHU-PBHICJAKSA-N 1 0 395.297 2.327 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@@H](O)c2ccccn2)cc1Br ZINC000853111162 654279733 /nfs/dbraw/zinc/27/97/33/654279733.db2.gz OMBUILXTGSPTHU-RHSMWYFYSA-N 1 0 395.297 2.327 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000853117359 654280094 /nfs/dbraw/zinc/28/00/94/654280094.db2.gz URGMIUOIAQDAFG-CQSZACIVSA-N 1 0 394.306 2.353 20 0 GEADRO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000853116431 654280163 /nfs/dbraw/zinc/28/01/63/654280163.db2.gz JNYIGEITEXVRLD-CYBMUJFWSA-N 1 0 380.279 2.179 20 0 GEADRO COC(=O)[C@@H](Nc1cc2n(n1)CC[N@H+](C)C2)c1cccc(Br)c1 ZINC000871926005 654280893 /nfs/dbraw/zinc/28/08/93/654280893.db2.gz CSOOHQIZPVDPCO-HNNXBMFYSA-N 1 0 379.258 2.417 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cccs2)CC[C@@H]1C(F)(F)F ZINC000903716274 654281084 /nfs/dbraw/zinc/28/10/84/654281084.db2.gz SZUUWORLIIHYBV-TUAOUCFPSA-N 1 0 375.416 2.150 20 0 GEADRO CC(C)[C@@H](C(=O)OCc1nnnn1-c1ccccc1Br)[NH+](C)C ZINC000803495505 654281292 /nfs/dbraw/zinc/28/12/92/654281292.db2.gz PYEQXIGMAMSEKX-AWEZNQCLSA-N 1 0 382.262 2.054 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2cnc(Br)cn2)C1 ZINC000921565627 654281736 /nfs/dbraw/zinc/28/17/36/654281736.db2.gz NHVYCWXAMHVRQG-CYBMUJFWSA-N 1 0 384.322 2.406 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2cn(C)nc2Br)C1 ZINC000921565250 654281822 /nfs/dbraw/zinc/28/18/22/654281822.db2.gz IAQVLNHVWNKXDA-CYBMUJFWSA-N 1 0 386.338 2.350 20 0 GEADRO O[C@H](CNc1ncnc(F)c1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000853151070 654281943 /nfs/dbraw/zinc/28/19/43/654281943.db2.gz LTXJBDPPHDIQAG-CYBMUJFWSA-N 1 0 381.249 2.209 20 0 GEADRO O=C(CN1CCC[C@]12CC[NH2+]C2)Nc1ccccc1I ZINC000903862924 654287866 /nfs/dbraw/zinc/28/78/66/654287866.db2.gz GREXMYXTFSHJTN-OAHLLOKOSA-N 1 0 385.249 2.058 20 0 GEADRO O=S1(=O)N=C(Cl)c2ccc(NCC3([NH+]4CCCC4)CCOCC3)cc21 ZINC000853274053 654290334 /nfs/dbraw/zinc/29/03/34/654290334.db2.gz YIJOMYKXNYMQGS-UHFFFAOYSA-N 1 0 383.901 2.431 20 0 GEADRO O=S(=O)(c1ccccc1Cl)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903906038 654291412 /nfs/dbraw/zinc/29/14/12/654291412.db2.gz QYDBJAGHMOESGL-MQVJKMGUSA-N 1 0 383.945 2.177 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[C@@H]1[NH3+] ZINC000832737079 654291915 /nfs/dbraw/zinc/29/19/15/654291915.db2.gz LDJZDALQALUKTN-RISCZKNCSA-N 1 0 378.523 2.124 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cnc(Br)c(C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000832743338 654292796 /nfs/dbraw/zinc/29/27/96/654292796.db2.gz WTBYWFQBBWJZFE-CYBMUJFWSA-N 1 0 383.290 2.034 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000832750946 654292851 /nfs/dbraw/zinc/29/28/51/654292851.db2.gz IITMNYNSBMMUJP-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891445287 654293902 /nfs/dbraw/zinc/29/39/02/654293902.db2.gz KSLJQLIVUMHBQR-RHSMWYFYSA-N 1 0 396.285 2.304 20 0 GEADRO CCO[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Br)C[NH+](C)C ZINC000921631116 654295593 /nfs/dbraw/zinc/29/55/93/654295593.db2.gz IYZVGQBJRHNUMJ-JTQLQIEISA-N 1 0 399.738 2.348 20 0 GEADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2cscn2)CCOCC1 ZINC000921634510 654296391 /nfs/dbraw/zinc/29/63/91/654296391.db2.gz VTXHMHBESYBUOQ-UHFFFAOYSA-N 1 0 381.523 2.103 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)[C@H](C)C1 ZINC000853486000 654298503 /nfs/dbraw/zinc/29/85/03/654298503.db2.gz OYGYMGLPRKVHPH-RKDXNWHRSA-N 1 0 388.697 2.265 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853500344 654299511 /nfs/dbraw/zinc/29/95/11/654299511.db2.gz ZAQKRANDRLSTKV-ZDUSSCGKSA-N 1 0 384.318 2.392 20 0 GEADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCc3cscc3Cl)n2)CC1 ZINC000891549799 654299930 /nfs/dbraw/zinc/29/99/30/654299930.db2.gz VRSLVPYZWHNWTH-UHFFFAOYSA-N 1 0 381.889 2.120 20 0 GEADRO COCCC1(NC(=O)NCCc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000891569614 654300999 /nfs/dbraw/zinc/30/09/99/654300999.db2.gz QJMLMRZZKMDWBZ-UHFFFAOYSA-N 1 0 384.318 2.450 20 0 GEADRO CCNC(=O)CN1CC[NH+](CC(C)(C)c2ccc(Br)cc2)CC1 ZINC000891588608 654301546 /nfs/dbraw/zinc/30/15/46/654301546.db2.gz ARZGKIUASGJWHU-UHFFFAOYSA-N 1 0 382.346 2.480 20 0 GEADRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCc2n[nH]cc2Br)cc1 ZINC000891580011 654301620 /nfs/dbraw/zinc/30/16/20/654301620.db2.gz RMKZTELEBYNFQH-HNNXBMFYSA-N 1 0 394.273 2.037 20 0 GEADRO Cn1cc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(Br)n1 ZINC000921678593 654303527 /nfs/dbraw/zinc/30/35/27/654303527.db2.gz MBDWUYNSXZSYEI-GJZGRUSLSA-N 1 0 392.301 2.427 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000891680773 654306340 /nfs/dbraw/zinc/30/63/40/654306340.db2.gz AHGQGSQHVPZUJX-FZNQNYSPSA-N 1 0 395.345 2.450 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000904278255 654306880 /nfs/dbraw/zinc/30/68/80/654306880.db2.gz SNPJNDQZDMZKGU-CYBMUJFWSA-N 1 0 379.511 2.283 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Cl)ncc1Br ZINC000833552762 654307230 /nfs/dbraw/zinc/30/72/30/654307230.db2.gz PUHLQLAMPHKLBQ-SNVBAGLBSA-N 1 0 376.682 2.074 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000904320782 654307297 /nfs/dbraw/zinc/30/72/97/654307297.db2.gz PDGZMKDPNQEXET-RLCGTCKNSA-N 1 0 387.221 2.314 20 0 GEADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891691340 654307379 /nfs/dbraw/zinc/30/73/79/654307379.db2.gz KVLUVLDHJZDTOZ-ZDUSSCGKSA-N 1 0 398.301 2.113 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000904320980 654307769 /nfs/dbraw/zinc/30/77/69/654307769.db2.gz SNPNZWCFBCDLMI-LBPRGKRZSA-N 1 0 389.237 2.419 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cc(Br)cnc1-n1cccn1)C2 ZINC000904417471 654309795 /nfs/dbraw/zinc/30/97/95/654309795.db2.gz GAMFTUKIBCCYTC-DRZSPHRISA-N 1 0 391.273 2.373 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000904417639 654309822 /nfs/dbraw/zinc/30/98/22/654309822.db2.gz LDMJQRCXLHMSOD-LBPRGKRZSA-N 1 0 379.262 2.149 20 0 GEADRO Cn1cc(S(=O)(=O)NC2(C[NH+]3CCCCC3)CCC2)c(C(F)(F)F)n1 ZINC000872006306 654310324 /nfs/dbraw/zinc/31/03/24/654310324.db2.gz SZXVVPSLIUKEHR-UHFFFAOYSA-N 1 0 380.436 2.126 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(Cn3nc4ccc(Br)cn4c3=S)C[C@]2(C)C1 ZINC000904438162 654310782 /nfs/dbraw/zinc/31/07/82/654310782.db2.gz YDTVQVMQFJTRBY-ABAIWWIYSA-N 1 0 382.331 2.469 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(CN2Cc3c(cccc3Br)C2=O)CCO1 ZINC000853624800 654311132 /nfs/dbraw/zinc/31/11/32/654311132.db2.gz MNMXQSDMMHPFHM-CQSZACIVSA-N 1 0 396.329 2.405 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(Cn2c(=O)oc3cccc(Br)c32)CCO1 ZINC000853626098 654311520 /nfs/dbraw/zinc/31/15/20/654311520.db2.gz XDQALJOETLMAEW-CYBMUJFWSA-N 1 0 398.301 2.357 20 0 GEADRO Cc1cc(C[NH2+]C[C@H]2CN(C)CCN2C)c(C)cc1I ZINC000921725715 654311942 /nfs/dbraw/zinc/31/19/42/654311942.db2.gz SGCKVPBWMOLEGA-HNNXBMFYSA-N 1 0 387.309 2.243 20 0 GEADRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1nc(Br)c[nH]1 ZINC000921724637 654311972 /nfs/dbraw/zinc/31/19/72/654311972.db2.gz KZHNAGAWHVLYQW-UHFFFAOYSA-N 1 0 377.242 2.338 20 0 GEADRO [NH3+]CCN1CCC[C@@H](c2nc(Cc3ccc(Br)cc3)no2)C1=O ZINC000904513745 654313017 /nfs/dbraw/zinc/31/30/17/654313017.db2.gz IHMJWTBQBLXXMF-ZDUSSCGKSA-N 1 0 379.258 2.088 20 0 GEADRO CN1CCN(C)[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872034095 654313066 /nfs/dbraw/zinc/31/30/66/654313066.db2.gz GDEQZCUTJQZOAA-NXHRZFHOSA-N 1 0 382.346 2.362 20 0 GEADRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCc2nnc(SC)s2)cc1 ZINC000891832855 654313457 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CCn1c(CNC(=O)N2C[C@H]([NH3+])C[C@H]2C)nc2cc(Br)ccc21 ZINC000891852428 654315324 /nfs/dbraw/zinc/31/53/24/654315324.db2.gz YRTOVBQGUUIDOD-ZYHUDNBSSA-N 1 0 380.290 2.450 20 0 GEADRO COc1cc(Br)ccc1-c1noc([C@H]2CCCN(CC[NH3+])C2=O)n1 ZINC000904674666 654315738 /nfs/dbraw/zinc/31/57/38/654315738.db2.gz NJOJZCMKCHPHNR-GFCCVEGCSA-N 1 0 395.257 2.172 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000872204498 654317136 /nfs/dbraw/zinc/31/71/36/654317136.db2.gz UXRBRXIZGLNWDN-QLFBSQMISA-N 1 0 376.316 2.428 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000872219082 654317417 /nfs/dbraw/zinc/31/74/17/654317417.db2.gz VDOFWFGTCFRJNL-UONOGXRCSA-N 1 0 377.312 2.168 20 0 GEADRO O=C(NCc1noc([C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1)c1ccc(Br)cc1 ZINC000904712709 654317508 /nfs/dbraw/zinc/31/75/08/654317508.db2.gz IAZBVYACXYSBPS-YNEHKIRRSA-N 1 0 377.242 2.370 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cccc(Br)c1 ZINC000872222552 654317933 /nfs/dbraw/zinc/31/79/33/654317933.db2.gz WLNVMDXBQCEBMZ-URLAMEQQSA-N 1 0 386.311 2.236 20 0 GEADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872234273 654318412 /nfs/dbraw/zinc/31/84/12/654318412.db2.gz NJJYETHCMWZZIC-INIZCTEOSA-N 1 0 394.269 2.332 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2c(Br)cncc2Br)C1 ZINC000891930486 654319141 /nfs/dbraw/zinc/31/91/41/654319141.db2.gz WCNAEKOGEQGAAH-ZKCHVHJHSA-N 1 0 392.095 2.143 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000872269847 654320876 /nfs/dbraw/zinc/32/08/76/654320876.db2.gz QPMGSGAEJNEICS-LBPRGKRZSA-N 1 0 387.933 2.098 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCCC2SCCS2)C1 ZINC000853797020 654321617 /nfs/dbraw/zinc/32/16/17/654321617.db2.gz DAQBIJDHBUXYGY-CQSZACIVSA-N 1 0 378.629 2.389 20 0 GEADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)NC[C@@H]1CCC[NH2+]C1 ZINC000891979180 654321590 /nfs/dbraw/zinc/32/15/90/654321590.db2.gz LMMOUABYBUSMPW-CYBMUJFWSA-N 1 0 392.301 2.434 20 0 GEADRO FC(F)(F)COCCC[NH+]1CCN(c2ccc(Br)nn2)CC1 ZINC000891985521 654321998 /nfs/dbraw/zinc/32/19/98/654321998.db2.gz GAZRKKWKJQNHRK-UHFFFAOYSA-N 1 0 383.212 2.330 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892003941 654323362 /nfs/dbraw/zinc/32/33/62/654323362.db2.gz ADWGHYLRPNPSDU-CYBMUJFWSA-N 1 0 392.301 2.434 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000892004789 654323512 /nfs/dbraw/zinc/32/35/12/654323512.db2.gz HWTMIIATELYOLA-ZIAGYGMSSA-N 1 0 376.284 2.127 20 0 GEADRO O=C(N1CCC2(C1)CC[NH2+]CC2)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000834437636 654324577 /nfs/dbraw/zinc/32/45/77/654324577.db2.gz MPOBUCDNWWOFFD-UHFFFAOYSA-N 1 0 382.913 2.248 20 0 GEADRO Cc1nn(C)c(C[NH2+]C2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cl ZINC000921797882 654325067 /nfs/dbraw/zinc/32/50/67/654325067.db2.gz VVWBFCNNNFQHAX-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000904973814 654326016 /nfs/dbraw/zinc/32/60/16/654326016.db2.gz RARKDVDHYVEALS-KDOFPFPSSA-N 1 0 394.313 2.137 20 0 GEADRO O=C(NCc1csc(Br)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892034680 654325908 /nfs/dbraw/zinc/32/59/08/654325908.db2.gz RIDDTEZABIYWNL-OLZOCXBDSA-N 1 0 388.331 2.251 20 0 GEADRO O=C(NCc1cc(Br)cs1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892033935 654326012 /nfs/dbraw/zinc/32/60/12/654326012.db2.gz XIQBNMNAZIWOGA-ZIAGYGMSSA-N 1 0 388.331 2.251 20 0 GEADRO CC[C@@](O)(C[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)C(F)(F)F ZINC000905027281 654327334 /nfs/dbraw/zinc/32/73/34/654327334.db2.gz QIYHUACCGOKKMU-OAHLLOKOSA-N 1 0 382.448 2.307 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892091575 654327853 /nfs/dbraw/zinc/32/78/53/654327853.db2.gz GMSQZZJXEKQONV-WPGHFRTFSA-N 1 0 390.311 2.373 20 0 GEADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1csc(I)n1 ZINC000834476354 654328350 /nfs/dbraw/zinc/32/83/50/654328350.db2.gz WAGQGJDRPIRGPZ-SNVBAGLBSA-N 1 0 391.278 2.494 20 0 GEADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000804956557 654328399 /nfs/dbraw/zinc/32/83/99/654328399.db2.gz STENTEJZZULCAW-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO O=C(CC[NH2+]C[C@H](O)CC1(O)CCCC1)Nc1ccc(Br)cc1 ZINC000905060969 654328488 /nfs/dbraw/zinc/32/84/88/654328488.db2.gz ZPYOIAHRLXXKOY-OAHLLOKOSA-N 1 0 385.302 2.423 20 0 GEADRO C[C@H](C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)Sc1ccc(Br)cc1 ZINC000905106979 654332027 /nfs/dbraw/zinc/33/20/27/654332027.db2.gz UCPWPBOEFKIBSU-XPKDYRNWSA-N 1 0 390.343 2.422 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Br)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000892168850 654332160 /nfs/dbraw/zinc/33/21/60/654332160.db2.gz WVNVBBZAFNQEKC-CQSZACIVSA-N 1 0 390.709 2.323 20 0 GEADRO C[C@H](C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)Sc1ccc(Br)cc1 ZINC000905106977 654332150 /nfs/dbraw/zinc/33/21/50/654332150.db2.gz UCPWPBOEFKIBSU-IVMMDQJWSA-N 1 0 390.343 2.422 20 0 GEADRO Cc1ccc(NC(=O)C2CN(C)CC[N@H+](C)C2)cc1I ZINC000905128268 654333504 /nfs/dbraw/zinc/33/35/04/654333504.db2.gz XQKLEAQPJFKPML-UHFFFAOYSA-N 1 0 387.265 2.032 20 0 GEADRO Cn1cc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(Br)n1 ZINC000905137865 654334099 /nfs/dbraw/zinc/33/40/99/654334099.db2.gz UERLMQRTBOUTRL-CYBMUJFWSA-N 1 0 396.289 2.412 20 0 GEADRO CC[C@](O)(C[NH2+]Cc1ccc(S(=O)(=O)NCC(C)C)cc1)C(F)(F)F ZINC000905192078 654337534 /nfs/dbraw/zinc/33/75/34/654337534.db2.gz XVRYHLGVCQCCBD-HNNXBMFYSA-N 1 0 382.448 2.414 20 0 GEADRO CC[NH+]1CCN(CCC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000834610483 654337908 /nfs/dbraw/zinc/33/79/08/654337908.db2.gz NRYDIAUOTYHGET-UHFFFAOYSA-N 1 0 378.826 2.398 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)CCO2 ZINC000905201767 654338607 /nfs/dbraw/zinc/33/86/07/654338607.db2.gz PHLUBWWHIMIYSD-DAXOMENPSA-N 1 0 394.320 2.353 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)CCO2 ZINC000905201779 654338630 /nfs/dbraw/zinc/33/86/30/654338630.db2.gz PHLUBWWHIMIYSD-VBNZEHGJSA-N 1 0 394.320 2.353 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C[C@@]1(O)CCOC1 ZINC000905203256 654338681 /nfs/dbraw/zinc/33/86/81/654338681.db2.gz PPYXWOFCBZIQGR-JDFRZJQESA-N 1 0 375.296 2.064 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892307235 654339696 /nfs/dbraw/zinc/33/96/96/654339696.db2.gz WBLLLRBXBLYSNQ-PSOPSSQASA-N 1 0 376.284 2.125 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000805039994 654339778 /nfs/dbraw/zinc/33/97/78/654339778.db2.gz DPLORMKVOOKLIA-CABCVRRESA-N 1 0 387.933 2.090 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000834648267 654340996 /nfs/dbraw/zinc/34/09/96/654340996.db2.gz UJESAZXMSSHOLM-ZWNOBZJWSA-N 1 0 389.315 2.052 20 0 GEADRO CC[C@@H]1CN(C(=O)c2cccn3c(I)cnc23)CC[C@H]1[NH3+] ZINC000834647444 654341021 /nfs/dbraw/zinc/34/10/21/654341021.db2.gz PAAQLUJLQCOOJJ-ZYHUDNBSSA-N 1 0 398.248 2.138 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1csc(I)n1 ZINC000892353055 654342102 /nfs/dbraw/zinc/34/21/02/654342102.db2.gz KOGAHBXSZUTIJN-HLTSFMKQSA-N 1 0 379.267 2.301 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc(Br)n1 ZINC000872457779 654342173 /nfs/dbraw/zinc/34/21/73/654342173.db2.gz TXRXNAMNGUJPFE-LBPRGKRZSA-N 1 0 376.320 2.339 20 0 GEADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1csc(I)n1 ZINC000892353054 654342201 /nfs/dbraw/zinc/34/22/01/654342201.db2.gz KOGAHBXSZUTIJN-DJLDLDEBSA-N 1 0 379.267 2.301 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000892355850 654342231 /nfs/dbraw/zinc/34/22/31/654342231.db2.gz DWGHGMBSILWCRU-AWEZNQCLSA-N 1 0 384.322 2.294 20 0 GEADRO CCOc1ccc(Br)cc1-c1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000854145988 654342357 /nfs/dbraw/zinc/34/23/57/654342357.db2.gz WFTUSRKJNPRSTA-UHFFFAOYSA-N 1 0 379.218 2.115 20 0 GEADRO Nc1c(Cl)cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000834723040 654345312 /nfs/dbraw/zinc/34/53/12/654345312.db2.gz NNFMLWZFXNFVEP-LLVKDONJSA-N 1 0 385.217 2.142 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccc(Br)s2)CCC1)C[C@@]1(O)CCOC1 ZINC000905254984 654345400 /nfs/dbraw/zinc/34/54/00/654345400.db2.gz HULWOAPOPPPUOL-LRDDRELGSA-N 1 0 390.343 2.424 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1[C@H]3Cc4cc(Br)ccc4[C@@H]13)C2 ZINC000892428168 654345809 /nfs/dbraw/zinc/34/58/09/654345809.db2.gz UGYFZONFTOCCJC-IOHZKQFHSA-N 1 0 376.298 2.338 20 0 GEADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905258558 654345808 /nfs/dbraw/zinc/34/58/08/654345808.db2.gz YMUSRDJPFMNGDM-SWLSCSKDSA-N 1 0 381.325 2.431 20 0 GEADRO O=C(NCc1ccccc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892458201 654346913 /nfs/dbraw/zinc/34/69/13/654346913.db2.gz VUHVTCIHESCKLP-HZPDHXFCSA-N 1 0 382.302 2.190 20 0 GEADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000905274489 654347246 /nfs/dbraw/zinc/34/72/46/654347246.db2.gz TWCJJBPAPHWLLD-QSTLKDOJSA-N 1 0 382.328 2.395 20 0 GEADRO Cc1nc(Br)sc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000854306208 654349438 /nfs/dbraw/zinc/34/94/38/654349438.db2.gz DUAGSRIFBXVKJQ-NSHDSACASA-N 1 0 376.320 2.301 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000854306867 654349819 /nfs/dbraw/zinc/34/98/19/654349819.db2.gz KQNSKDYLVVSTND-VWLOTQADSA-N 1 0 383.480 2.205 20 0 GEADRO CCC[NH+]1CCC(NC(=O)c2nscc2I)CC1 ZINC000905314710 654349936 /nfs/dbraw/zinc/34/99/36/654349936.db2.gz FZIMCSZPPHFSDD-UHFFFAOYSA-N 1 0 379.267 2.352 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)[C@H](C)[NH3+] ZINC000834817532 654350365 /nfs/dbraw/zinc/35/03/65/654350365.db2.gz USIQTUDPGOXBPU-FRRDWIJNSA-N 1 0 387.933 2.226 20 0 GEADRO O=C(NCCSCCC(F)(F)F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000892541593 654350384 /nfs/dbraw/zinc/35/03/84/654350384.db2.gz CNWPOJMTAIYHCB-CQSZACIVSA-N 1 0 383.480 2.472 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)C1 ZINC000892553956 654350699 /nfs/dbraw/zinc/35/06/99/654350699.db2.gz ZGHLAXFARBKUFA-JNSHFYNHSA-N 1 0 399.308 2.153 20 0 GEADRO Cn1ccnc1[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000905331590 654350986 /nfs/dbraw/zinc/35/09/86/654350986.db2.gz MSZJVIUKSBWAHD-MRXNPFEDSA-N 1 0 382.917 2.082 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000905332741 654351004 /nfs/dbraw/zinc/35/10/04/654351004.db2.gz KLVOURKSPLNFLR-UHFFFAOYSA-N 1 0 385.961 2.177 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)c1nscc1I ZINC000905334894 654351257 /nfs/dbraw/zinc/35/12/57/654351257.db2.gz DSSNOGNSXYIPBH-UHFFFAOYSA-N 1 0 379.267 2.354 20 0 GEADRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cnc1Br ZINC000854332756 654351555 /nfs/dbraw/zinc/35/15/55/654351555.db2.gz INTQTJQOYWAQQA-AWEZNQCLSA-N 1 0 398.301 2.180 20 0 GEADRO CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C1CC([NH3+])C1 ZINC000834830512 654351693 /nfs/dbraw/zinc/35/16/93/654351693.db2.gz KNSZBEIVKAIEPL-UHFFFAOYSA-N 1 0 385.917 2.076 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2cc(Cl)ccc2I)C1 ZINC000892565259 654351868 /nfs/dbraw/zinc/35/18/68/654351868.db2.gz CWBXJRFSSKAMPW-JLIMDTESSA-N 1 0 393.656 2.481 20 0 GEADRO C[C@H](Cc1ccccc1Br)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343067 654351867 /nfs/dbraw/zinc/35/18/67/654351867.db2.gz MPVFQBAUUGOJTG-GFCCVEGCSA-N 1 0 375.332 2.299 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000834841893 654352445 /nfs/dbraw/zinc/35/24/45/654352445.db2.gz VYNSELYFIWHLDO-LLVKDONJSA-N 1 0 387.843 2.001 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000905357352 654352953 /nfs/dbraw/zinc/35/29/53/654352953.db2.gz JLKQFVSBEGOFDM-XHDPSFHLSA-N 1 0 376.906 2.173 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc2ncc(I)n2c1 ZINC000834848643 654353421 /nfs/dbraw/zinc/35/34/21/654353421.db2.gz DAIFRMCVJVOPKD-LBPRGKRZSA-N 1 0 398.248 2.201 20 0 GEADRO OC[C@H](C[NH2+]C[C@H](O)CC1(O)CCCC1)Cc1ccccc1Br ZINC000905364573 654353448 /nfs/dbraw/zinc/35/34/48/654353448.db2.gz DZWXXCBUEDQMFX-GOEBONIOSA-N 1 0 386.330 2.246 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)ncc2Cl)CC12CCOCC2 ZINC000834854216 654353648 /nfs/dbraw/zinc/35/36/48/654353648.db2.gz SALNTXAJKWCEHF-SNVBAGLBSA-N 1 0 388.693 2.325 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)cn2)C[C@@H]1C(F)(F)F ZINC000892617026 654353759 /nfs/dbraw/zinc/35/37/59/654353759.db2.gz RZYPSYMICDDUMV-KWQFWETISA-N 1 0 381.196 2.123 20 0 GEADRO C[C@@](O)(C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1)C(F)(F)C(F)(F)F ZINC000905373276 654354076 /nfs/dbraw/zinc/35/40/76/654354076.db2.gz PZWVOFBHEMEPCL-CHWSQXEVSA-N 1 0 375.378 2.482 20 0 GEADRO CCOC(=O)c1ncc(Br)c(N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000892634226 654354751 /nfs/dbraw/zinc/35/47/51/654354751.db2.gz QBMFYAOBYTXBQY-GFCCVEGCSA-N 1 0 383.290 2.338 20 0 GEADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834894414 654355472 /nfs/dbraw/zinc/35/54/72/654355472.db2.gz TWJWYBPEIHDCBV-QRTARXTBSA-N 1 0 388.555 2.355 20 0 GEADRO COc1cc([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)ccc1S(=O)(=O)C(F)F ZINC000834907705 654355588 /nfs/dbraw/zinc/35/55/88/654355588.db2.gz AJDAQPSKCQUOIQ-MGPLVRAMSA-N 1 0 376.425 2.011 20 0 GEADRO FCCn1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cn1 ZINC000905414586 654355886 /nfs/dbraw/zinc/35/58/86/654355886.db2.gz PNSZBKGBWBRYFB-UHFFFAOYSA-N 1 0 384.253 2.459 20 0 GEADRO COc1ccc(C(=O)NCC[NH2+]Cc2ncc(Br)cc2O)cc1 ZINC000892649228 654355803 /nfs/dbraw/zinc/35/58/03/654355803.db2.gz XBVKYWDVPRLAOP-UHFFFAOYSA-N 1 0 380.242 2.078 20 0 GEADRO O=c1[nH]c(=O)n(C2CC2)cc1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000905428851 654356273 /nfs/dbraw/zinc/35/62/73/654356273.db2.gz XLESIMTUOPFPLX-AWEZNQCLSA-N 1 0 398.232 2.009 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]CCc2cc(Cl)cc(Br)c2)CC1 ZINC000905420264 654356403 /nfs/dbraw/zinc/35/64/03/654356403.db2.gz RFYXJBMNGYEUAW-UHFFFAOYSA-N 1 0 396.734 2.174 20 0 GEADRO O=C(CC[NH2+]CC[C@H]1CCCS1(=O)=O)Nc1ccc(Br)cc1 ZINC000905432557 654357129 /nfs/dbraw/zinc/35/71/29/654357129.db2.gz QEOIFADKNNETPN-CQSZACIVSA-N 1 0 389.315 2.335 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872498073 654357271 /nfs/dbraw/zinc/35/72/71/654357271.db2.gz QPRVRAOMQJQBGU-ZDUSSCGKSA-N 1 0 385.917 2.330 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000835027520 654357260 /nfs/dbraw/zinc/35/72/60/654357260.db2.gz BIIZMJLIXIUYQN-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO O=C(OCc1ccccc1)[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000905453390 654358330 /nfs/dbraw/zinc/35/83/30/654358330.db2.gz UEZZTQNHGBAMLP-SJORKVTESA-N 1 0 394.265 2.176 20 0 GEADRO C[C@](O)(C[NH2+][C@H](CO)C[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000905459636 654358664 /nfs/dbraw/zinc/35/86/64/654358664.db2.gz HRAUSMUBMVZMPW-ZENOOKHLSA-N 1 0 376.266 2.315 20 0 GEADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]C[C@@]3(O)CCSC3)sc2C1 ZINC000835044140 654359277 /nfs/dbraw/zinc/35/92/77/654359277.db2.gz WZSDIAYQDNSYTI-KRWDZBQOSA-N 1 0 385.555 2.394 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000892731295 654361700 /nfs/dbraw/zinc/36/17/00/654361700.db2.gz LWTKCKSHHYKZCO-VXGBXAGGSA-N 1 0 389.315 2.109 20 0 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CO[C@]1(C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CCS(=O)(=O)C1 ZINC000922617142 654403585 /nfs/dbraw/zinc/40/35/85/654403585.db2.gz ZVNKJEKJVLOOST-KRWDZBQOSA-N 1 0 383.901 2.034 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000855266912 654403978 /nfs/dbraw/zinc/40/39/78/654403978.db2.gz LEOSYPXJGDRGCL-MQNRADLISA-N 1 0 376.444 2.293 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2cc3cc(Br)ccc3o2)CCS(=O)(=O)C1 ZINC000922617698 654404094 /nfs/dbraw/zinc/40/40/94/654404094.db2.gz UYDBAXCCGPZQDM-OAHLLOKOSA-N 1 0 388.283 2.489 20 0 GEADRO C[C@H]([NH2+][C@@H](CCO)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000893491951 654404207 /nfs/dbraw/zinc/40/42/07/654404207.db2.gz WVJJSJUPXSJBTQ-ZOWXZIJZSA-N 1 0 376.316 2.285 20 0 GEADRO CCOC1CC(CNc2cc[nH+]c(C)c2Br)(N2CCOCC2)C1 ZINC000893527507 654405432 /nfs/dbraw/zinc/40/54/32/654405432.db2.gz ZHOPNTNWYIFAQW-UHFFFAOYSA-N 1 0 384.318 2.256 20 0 GEADRO Cc1cc(CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)nn1C ZINC000922686704 654407503 /nfs/dbraw/zinc/40/75/03/654407503.db2.gz VTLOSNNNNQTMPG-UHFFFAOYSA-N 1 0 375.274 2.404 20 0 GEADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000922687142 654407618 /nfs/dbraw/zinc/40/76/18/654407618.db2.gz QLMDZLUHSYWPPV-UHFFFAOYSA-N 1 0 387.548 2.278 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000855274527 654407561 /nfs/dbraw/zinc/40/75/61/654407561.db2.gz LQCWVDJRTNZYDD-BZQUYTCOSA-N 1 0 376.444 2.326 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2csc(I)n2)C1 ZINC000855286677 654410117 /nfs/dbraw/zinc/41/01/17/654410117.db2.gz VIBBEUPTVIPVPX-MRVPVSSYSA-N 1 0 379.267 2.350 20 0 GEADRO O[C@H](C[NH2+]Cc1cccc(F)c1I)COCC1CC1 ZINC000873030114 654410976 /nfs/dbraw/zinc/41/09/76/654410976.db2.gz BMOJVTARWJZTKR-GFCCVEGCSA-N 1 0 379.213 2.307 20 0 GEADRO O=C1C[C@@H](CC[NH2+]Cc2c(Br)cncc2Br)CN1 ZINC000922779611 654412817 /nfs/dbraw/zinc/41/28/17/654412817.db2.gz XXLJMCWMWIIJPJ-MRVPVSSYSA-N 1 0 377.080 2.222 20 0 GEADRO OCCC1([NH2+]Cc2cccc(F)c2I)CCOCC1 ZINC000873077615 654413435 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O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nscc1I ZINC000906241356 654423698 /nfs/dbraw/zinc/42/36/98/654423698.db2.gz UUHPOWLRJVSNOY-DTWKUNHWSA-N 1 0 377.251 2.104 20 0 GEADRO COc1cc(C[NH2+][C@H]2C[C@H](CO)C2)cc(I)c1OC ZINC000923008297 654424281 /nfs/dbraw/zinc/42/42/81/654424281.db2.gz SHXGDMZPXKPOCD-XYPYZODXSA-N 1 0 377.222 2.169 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cc(Br)cnc1-n1cccn1)C2 ZINC000873318234 654424392 /nfs/dbraw/zinc/42/43/92/654424392.db2.gz JSGLOZJCHHVXDF-MEDUHNTESA-N 1 0 391.273 2.103 20 0 GEADRO Cc1cnc(Br)c(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873328086 654424726 /nfs/dbraw/zinc/42/47/26/654424726.db2.gz UVVYMOLQVHINDR-GFCCVEGCSA-N 1 0 383.290 2.433 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3C[C@H](O)C34CCOCC4)cnc12 ZINC000923018248 654424717 /nfs/dbraw/zinc/42/47/17/654424717.db2.gz DRRRKBVVMYXNBR-GJZGRUSLSA-N 1 0 380.286 2.425 20 0 GEADRO O[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C12CCOCC2 ZINC000923022368 654425185 /nfs/dbraw/zinc/42/51/85/654425185.db2.gz WEOGKZMORRGLKX-CVEARBPZSA-N 1 0 393.285 2.049 20 0 GEADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H](c1nccs1)C(F)(F)F ZINC000873328950 654425235 /nfs/dbraw/zinc/42/52/35/654425235.db2.gz RZKCOENLKANSLJ-QWRGUYRKSA-N 1 0 378.420 2.204 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC[C@]1(C)C[C@@]1(F)Cl)C2 ZINC000923066001 654426422 /nfs/dbraw/zinc/42/64/22/654426422.db2.gz GBDQRTAAORNVBX-WNIVTNPTSA-N 1 0 375.916 2.470 20 0 GEADRO CN(CCc1cccc(Br)c1)Cc1cn(Cc2ncon2)nn1 ZINC000906304752 654426701 /nfs/dbraw/zinc/42/67/01/654426701.db2.gz UOYIHJVEJXKRSJ-UHFFFAOYSA-N 1 0 377.246 2.146 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000923119675 654427486 /nfs/dbraw/zinc/42/74/86/654427486.db2.gz PKXJYNDUZOGJBE-KWCYVHTRSA-N 1 0 382.306 2.426 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCc2ncc(Br)cn2)[C@H]1c1ccccc1 ZINC000893878603 654428994 /nfs/dbraw/zinc/42/89/94/654428994.db2.gz UBFXCGLJHYJUBK-GOEBONIOSA-N 1 0 390.285 2.484 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnnn1-c1ccccc1Br ZINC000906361491 654431069 /nfs/dbraw/zinc/43/10/69/654431069.db2.gz IINMBCAJCHXVLR-LBPRGKRZSA-N 1 0 390.285 2.244 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cn(C)nc1I ZINC000906357529 654431246 /nfs/dbraw/zinc/43/12/46/654431246.db2.gz CJRXIVOQERVHFO-LLVKDONJSA-N 1 0 392.285 2.265 20 0 GEADRO Cn1ncc(I)c1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000893969712 654435026 /nfs/dbraw/zinc/43/50/26/654435026.db2.gz WTOIGHQPVPEMFC-CYBMUJFWSA-N 1 0 388.297 2.475 20 0 GEADRO Cn1cc(CN2CCC[N@@H+](C3CCCC3)CC2)c(I)n1 ZINC000893988041 654436359 /nfs/dbraw/zinc/43/63/59/654436359.db2.gz XSKYDBRURQTCFX-UHFFFAOYSA-N 1 0 388.297 2.475 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cnc(Br)c(Cl)c1 ZINC000906441834 654437564 /nfs/dbraw/zinc/43/75/64/654437564.db2.gz PWOHSVXOHSOMCT-GFCCVEGCSA-N 1 0 388.693 2.481 20 0 GEADRO O=C(c1nscc1I)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000906459619 654439962 /nfs/dbraw/zinc/43/99/62/654439962.db2.gz NJKGQESTMWVBGJ-SNVBAGLBSA-N 1 0 391.278 2.448 20 0 GEADRO C[NH2+]C[C@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923291408 654441725 /nfs/dbraw/zinc/44/17/25/654441725.db2.gz RMMOFQPXNWPNRD-DGCLKSJQSA-N 1 0 377.710 2.384 20 0 GEADRO Cn1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(Br)n1 ZINC000923295182 654442060 /nfs/dbraw/zinc/44/20/60/654442060.db2.gz WBJPYLCMQOOHOC-CYBMUJFWSA-N 1 0 384.322 2.389 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(Cc2cn(C)nc2I)C1 ZINC000894057038 654443118 /nfs/dbraw/zinc/44/31/18/654443118.db2.gz FGCWBCGHIYMHPS-GFCCVEGCSA-N 1 0 376.286 2.188 20 0 GEADRO COc1ccc(C[C@H](CO)CNc2cc[nH+]cc2CO)cc1Br ZINC000894097925 654446413 /nfs/dbraw/zinc/44/64/13/654446413.db2.gz LDJVTEICJSLQAI-ZDUSSCGKSA-N 1 0 381.270 2.030 20 0 GEADRO COCC[NH2+]C1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923389678 654448560 /nfs/dbraw/zinc/44/85/60/654448560.db2.gz VQZFUARWDBVBPY-AWEZNQCLSA-N 1 0 377.312 2.434 20 0 GEADRO CC1(C)CC[NH2+]CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923415429 654451686 /nfs/dbraw/zinc/45/16/86/654451686.db2.gz PQUKTQVEQQCTJR-CQSZACIVSA-N 1 0 375.282 2.402 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000873711058 654451928 /nfs/dbraw/zinc/45/19/28/654451928.db2.gz AHDFAYJFSAOPLY-GFCCVEGCSA-N 1 0 396.285 2.000 20 0 GEADRO C[C@@H](CNCc1cn(C)nc1I)[N@@H+]1CCC[C@H](C)C1 ZINC000894176482 654453306 /nfs/dbraw/zinc/45/33/06/654453306.db2.gz LSSCDITWPRJKDI-RYUDHWBXSA-N 1 0 376.286 2.235 20 0 GEADRO C[C@H](CNCc1cn(C)nc1I)[N@@H+]1CCCC[C@@H]1C ZINC000894175785 654453366 /nfs/dbraw/zinc/45/33/66/654453366.db2.gz LVGPQEMPGMTXJO-NWDGAFQWSA-N 1 0 376.286 2.377 20 0 GEADRO COC(=O)[C@H](c1ccccc1Br)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447480 654453592 /nfs/dbraw/zinc/45/35/92/654453592.db2.gz UHRGPOJKROTHNR-CJNGLKHVSA-N 1 0 397.313 2.493 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873717921 654453768 /nfs/dbraw/zinc/45/37/68/654453768.db2.gz HJMHYEDJAPRBII-WDEREUQCSA-N 1 0 390.242 2.050 20 0 GEADRO C[NH+](C)C1CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000906626273 654454740 /nfs/dbraw/zinc/45/47/40/654454740.db2.gz YOCUKUAMIJUKGM-UHFFFAOYSA-N 1 0 378.274 2.196 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1c(I)cnn1C ZINC000894201084 654455182 /nfs/dbraw/zinc/45/51/82/654455182.db2.gz VJOKSTUDIOLLGJ-RYUDHWBXSA-N 1 0 376.286 2.235 20 0 GEADRO C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(I)cc1 ZINC000906633079 654455223 /nfs/dbraw/zinc/45/52/23/654455223.db2.gz DXFSTYQDSOUDKQ-IACUBPJLSA-N 1 0 384.261 2.463 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2OC)CC1 ZINC000873726351 654455508 /nfs/dbraw/zinc/45/55/08/654455508.db2.gz KKTFVNAWGPPKCW-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO C[C@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000923502225 654457143 /nfs/dbraw/zinc/45/71/43/654457143.db2.gz AKHUWIGTCRQONQ-QWHCGFSZSA-N 1 0 375.332 2.140 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCCCNc1ccccn1 ZINC000894227487 654457594 /nfs/dbraw/zinc/45/75/94/654457594.db2.gz ZOGSMQUMIIERPH-UHFFFAOYSA-N 1 0 385.253 2.402 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNCc2cn(C)nc2I)C1 ZINC000894241086 654458241 /nfs/dbraw/zinc/45/82/41/654458241.db2.gz GNDNXMVVJIDZDZ-GFCCVEGCSA-N 1 0 376.286 2.235 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNCc2c(I)cnn2C)C1 ZINC000894241651 654458302 /nfs/dbraw/zinc/45/83/02/654458302.db2.gz KZTUCJOYEPJQKD-GFCCVEGCSA-N 1 0 376.286 2.235 20 0 GEADRO CC(C)C[C@@H](CNC(=O)c1nscc1I)[NH+](C)C ZINC000906672920 654458444 /nfs/dbraw/zinc/45/84/44/654458444.db2.gz HFZDQBNXUAQBJX-VIFPVBQESA-N 1 0 381.283 2.454 20 0 GEADRO Brc1cccc(Cc2noc(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)n2)c1 ZINC000923518531 654459255 /nfs/dbraw/zinc/45/92/55/654459255.db2.gz MTZLEDQPGCABEY-UONOGXRCSA-N 1 0 377.286 2.464 20 0 GEADRO C[C@H]([NH2+]Cc1c(I)cnn1C)[C@H](O)c1ccc(F)cc1 ZINC000894259569 654460353 /nfs/dbraw/zinc/46/03/53/654460353.db2.gz XHFYPBFAWNOVCR-XPTSAGLGSA-N 1 0 389.212 2.376 20 0 GEADRO COc1cccc([C@H](O)C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894260714 654460467 /nfs/dbraw/zinc/46/04/67/654460467.db2.gz PYNANQJPBUHMHJ-CQSZACIVSA-N 1 0 383.901 2.465 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000906689944 654460632 /nfs/dbraw/zinc/46/06/32/654460632.db2.gz WRPDDWPMIFOODM-UHFFFAOYSA-N 1 0 397.317 2.315 20 0 GEADRO COC1CC[NH+](C2(CNCc3nc(Br)nn3C)CCCC2)CC1 ZINC000894272704 654460925 /nfs/dbraw/zinc/46/09/25/654460925.db2.gz DEXAZESZRZSDLZ-UHFFFAOYSA-N 1 0 386.338 2.091 20 0 GEADRO C[C@H]([NH2+][C@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000894263232 654461072 /nfs/dbraw/zinc/46/10/72/654461072.db2.gz PAXGXHOXRSQSLX-RWEMILLDSA-N 1 0 378.263 2.435 20 0 GEADRO CO[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)s1 ZINC000906697166 654461493 /nfs/dbraw/zinc/46/14/93/654461493.db2.gz LQRFMOLASAHMFA-CYBMUJFWSA-N 1 0 391.331 2.425 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC1 ZINC000906693136 654461621 /nfs/dbraw/zinc/46/16/21/654461621.db2.gz IKEBRBDEHANXGZ-UHFFFAOYSA-N 1 0 380.164 2.014 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)c(C)c2)n1 ZINC000906698259 654462118 /nfs/dbraw/zinc/46/21/18/654462118.db2.gz VMNXVWVOEIJIOH-UHFFFAOYSA-N 1 0 376.507 2.457 20 0 GEADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCCOC1CCOCC1 ZINC000894287647 654462780 /nfs/dbraw/zinc/46/27/80/654462780.db2.gz IJNHQCJBUJDXBJ-UHFFFAOYSA-N 1 0 375.922 2.308 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000906705822 654463006 /nfs/dbraw/zinc/46/30/06/654463006.db2.gz NADNIJLNUCRFDL-CYBMUJFWSA-N 1 0 391.269 2.050 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1nscc1I ZINC000906708067 654463440 /nfs/dbraw/zinc/46/34/40/654463440.db2.gz ISZUHQKDJTXQAD-SECBINFHSA-N 1 0 379.267 2.162 20 0 GEADRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1I ZINC000894320081 654465004 /nfs/dbraw/zinc/46/50/04/654465004.db2.gz HXEIUGYJEFSJIE-CQSZACIVSA-N 1 0 385.249 2.372 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCc1ccc(Cl)nc1 ZINC000894329968 654466146 /nfs/dbraw/zinc/46/61/46/654466146.db2.gz MMCAZRLNGIBZRZ-UHFFFAOYSA-N 1 0 376.629 2.405 20 0 GEADRO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000906737509 654466349 /nfs/dbraw/zinc/46/63/49/654466349.db2.gz DDVFBIRPIPKOAF-SNVBAGLBSA-N 1 0 390.228 2.314 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Br)cc1Cl)C2 ZINC000906755757 654468404 /nfs/dbraw/zinc/46/84/04/654468404.db2.gz QHEADKNOQGSTET-GDPRMGEGSA-N 1 0 386.677 2.379 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C2 ZINC000906757930 654468731 /nfs/dbraw/zinc/46/87/31/654468731.db2.gz YMHAGVJHDPZMJD-QXEWZRGKSA-N 1 0 386.677 2.379 20 0 GEADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894358175 654468815 /nfs/dbraw/zinc/46/88/15/654468815.db2.gz DNFLIISKSNJKNH-CQSZACIVSA-N 1 0 385.892 2.465 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906764843 654469673 /nfs/dbraw/zinc/46/96/73/654469673.db2.gz JPDQYUWPVWTODU-HNNXBMFYSA-N 1 0 388.212 2.020 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000873825464 654469742 /nfs/dbraw/zinc/46/97/42/654469742.db2.gz FZXQGVZVHKEPTR-CYBMUJFWSA-N 1 0 398.301 2.387 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000873830638 654470074 /nfs/dbraw/zinc/47/00/74/654470074.db2.gz LILBDKXXYSPHJC-AAEUAGOBSA-N 1 0 398.301 2.337 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)c1F ZINC000906769450 654470135 /nfs/dbraw/zinc/47/01/35/654470135.db2.gz DYRIKRJHLZOWCU-INIZCTEOSA-N 1 0 384.249 2.190 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000873830639 654470166 /nfs/dbraw/zinc/47/01/66/654470166.db2.gz LILBDKXXYSPHJC-DGCLKSJQSA-N 1 0 398.301 2.337 20 0 GEADRO O=S(=O)(NCc1cc(Br)ccc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000923601664 654471252 /nfs/dbraw/zinc/47/12/52/654471252.db2.gz VOEGMNIVMFEZIN-NSHDSACASA-N 1 0 399.257 2.222 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000906783223 654471826 /nfs/dbraw/zinc/47/18/26/654471826.db2.gz ZCWWPEMLFLGAHF-DOMZBBRYSA-N 1 0 381.933 2.010 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)Cc1cc(F)ccc1Cl)CC2 ZINC000923687814 654477215 /nfs/dbraw/zinc/47/72/15/654477215.db2.gz MTZLZGPCCGCRRP-CQSZACIVSA-N 1 0 376.881 2.139 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)N3CCC4(CO[C@@H](C[NH3+])C4)CC3)cc2s1 ZINC000923688259 654477274 /nfs/dbraw/zinc/47/72/74/654477274.db2.gz QIHBMRFUTNXAAW-CYBMUJFWSA-N 1 0 381.523 2.123 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923688509 654477288 /nfs/dbraw/zinc/47/72/88/654477288.db2.gz DBWNOBQQXBDWTK-SMDDNHRTSA-N 1 0 381.885 2.269 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1cscc1Br)CC2 ZINC000923689284 654477678 /nfs/dbraw/zinc/47/76/78/654477678.db2.gz XNFFRNRWXHKAPG-SNVBAGLBSA-N 1 0 395.344 2.029 20 0 GEADRO [NH3+][C@]1(CO)CCCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000923693900 654477952 /nfs/dbraw/zinc/47/79/52/654477952.db2.gz BKVTVHSVSSDXFF-MRXNPFEDSA-N 1 0 399.310 2.077 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923692779 654478043 /nfs/dbraw/zinc/47/80/43/654478043.db2.gz YVGOWPDKQLINPT-GXFFZTMASA-N 1 0 377.279 2.102 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923697448 654478327 /nfs/dbraw/zinc/47/83/27/654478327.db2.gz QFTSLCYFJSTLAF-OLZOCXBDSA-N 1 0 376.906 2.113 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000923696779 654478330 /nfs/dbraw/zinc/47/83/30/654478330.db2.gz CYZSELQVOFXFJL-VIFPVBQESA-N 1 0 397.722 2.471 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000923696736 654478332 /nfs/dbraw/zinc/47/83/32/654478332.db2.gz ZRQRGAKJHYSSKI-SECBINFHSA-N 1 0 397.722 2.471 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)cc1Cl ZINC000923701636 654479334 /nfs/dbraw/zinc/47/93/34/654479334.db2.gz HWXYKQKVCWZETQ-UWVGGRQHSA-N 1 0 395.308 2.385 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923705261 654479873 /nfs/dbraw/zinc/47/98/73/654479873.db2.gz ZFRIVBJUTNMLCR-RYUDHWBXSA-N 1 0 391.331 2.204 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923711305 654479891 /nfs/dbraw/zinc/47/98/91/654479891.db2.gz VMSCXKRCVNTNDD-NWDGAFQWSA-N 1 0 389.315 2.078 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923705107 654480013 /nfs/dbraw/zinc/48/00/13/654480013.db2.gz VUIUWMSEBWLIRS-WDEREUQCSA-N 1 0 377.304 2.063 20 0 GEADRO CC[C@@H]1CN(C(=O)c2cccn3c(I)cnc23)C[C@H](C)[NH2+]1 ZINC000856408134 654479958 /nfs/dbraw/zinc/47/99/58/654479958.db2.gz FZMFEPQCRLMQLH-WDEREUQCSA-N 1 0 398.248 2.151 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923713107 654480351 /nfs/dbraw/zinc/48/03/51/654480351.db2.gz JPUNPWWPFAQCJT-VHSXEESVSA-N 1 0 379.707 2.333 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000873906959 654480783 /nfs/dbraw/zinc/48/07/83/654480783.db2.gz PRESDRXZXGUCHP-YHWZYXNKSA-N 1 0 396.285 2.138 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Br)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923733003 654481478 /nfs/dbraw/zinc/48/14/78/654481478.db2.gz ZRILIMVAWUFDLR-CQSZACIVSA-N 1 0 377.279 2.495 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[C@H]([NH3+])C2)ccc1Br ZINC000923735594 654481727 /nfs/dbraw/zinc/48/17/27/654481727.db2.gz AVCNYTYGIGVTAO-MNOVXSKESA-N 1 0 375.288 2.057 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1Cl ZINC000923734568 654481851 /nfs/dbraw/zinc/48/18/51/654481851.db2.gz OEZMBTMFBSJKEE-INIZCTEOSA-N 1 0 387.889 2.425 20 0 GEADRO COc1ncc(S(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)cc1Cl ZINC000923748180 654482669 /nfs/dbraw/zinc/48/26/69/654482669.db2.gz LAADNKYYKGMQQM-GFCCVEGCSA-N 1 0 381.885 2.460 20 0 GEADRO CC(C)[C@@H](C[NH2+]Cc1c(I)cnn1C)c1ccnn1C ZINC000894538112 654484140 /nfs/dbraw/zinc/48/41/40/654484140.db2.gz OUNJVWNUXHJBAK-LLVKDONJSA-N 1 0 387.269 2.288 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000873938736 654485429 /nfs/dbraw/zinc/48/54/29/654485429.db2.gz ODANJSLBUCLHHB-LBPRGKRZSA-N 1 0 398.301 2.385 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000873939840 654485893 /nfs/dbraw/zinc/48/58/93/654485893.db2.gz JLUYCGQTFCUYQN-SNVBAGLBSA-N 1 0 384.274 2.047 20 0 GEADRO CCOC(=O)C1(C[NH2+]Cc2c(I)cnn2C)CCCC1 ZINC000894552896 654486065 /nfs/dbraw/zinc/48/60/65/654486065.db2.gz HGBVAGZHNGUEMO-UHFFFAOYSA-N 1 0 391.253 2.238 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNc3cnc(Br)cn3)cn2)CC1 ZINC000856724024 654486724 /nfs/dbraw/zinc/48/67/24/654486724.db2.gz PDHPFNMRSBJTPU-UHFFFAOYSA-N 1 0 377.290 2.388 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C[N@@H+]1C1CC1 ZINC000906943267 654490664 /nfs/dbraw/zinc/49/06/64/654490664.db2.gz ZAVLRIAAHNCGMS-PWSUYJOCSA-N 1 0 380.286 2.301 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2csc(Br)n2)cc1 ZINC000873989783 654490816 /nfs/dbraw/zinc/49/08/16/654490816.db2.gz UDADUVZREWXRIY-UHFFFAOYSA-N 1 0 397.298 2.449 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CCN(c3ncc(Br)c4cccnc43)CC2)C1 ZINC000894621654 654491265 /nfs/dbraw/zinc/49/12/65/654491265.db2.gz BGSQBIFGEDMOOX-CYBMUJFWSA-N 1 0 377.286 2.428 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000894661888 654493254 /nfs/dbraw/zinc/49/32/54/654493254.db2.gz FCEBBTGFMUENIT-ZDUSSCGKSA-N 1 0 385.249 2.108 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCc3ncc(Cl)s3)C2)[C@H]1C(C)C ZINC000923977137 654495488 /nfs/dbraw/zinc/49/54/88/654495488.db2.gz QRYDEROGCLKAKV-RYPCIWMOSA-N 1 0 386.949 2.466 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)[C@H](C)C1 ZINC000906982672 654495818 /nfs/dbraw/zinc/49/58/18/654495818.db2.gz ZBVPHLQNBYYBBC-ZYHUDNBSSA-N 1 0 378.878 2.070 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC(O)(c3cccc(Br)c3)C2)C1 ZINC000856828119 654496386 /nfs/dbraw/zinc/49/63/86/654496386.db2.gz OSQUAZVAGXLSSL-CQSZACIVSA-N 1 0 396.329 2.394 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856839996 654497074 /nfs/dbraw/zinc/49/70/74/654497074.db2.gz NCTLCWWLQOANHB-CVEARBPZSA-N 1 0 394.313 2.289 20 0 GEADRO Cc1cc(OCC(=O)NCC2(O)CC[NH+](C(C)C)CC2)ccc1Br ZINC000907000882 654498026 /nfs/dbraw/zinc/49/80/26/654498026.db2.gz YVLFSNCYEGHNFZ-UHFFFAOYSA-N 1 0 399.329 2.488 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000894780387 654498532 /nfs/dbraw/zinc/49/85/32/654498532.db2.gz BZGYWPZZVCCRRV-NSHDSACASA-N 1 0 379.400 2.406 20 0 GEADRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cn(C)nc1I ZINC000894872761 654503378 /nfs/dbraw/zinc/50/33/78/654503378.db2.gz HZVNWXXDHSVCDS-VIFPVBQESA-N 1 0 391.175 2.472 20 0 GEADRO COCC[N@@H+]1CC[C@H](Nc2cc(N3CCOCC3)ccc2Br)C1 ZINC000894907982 654505002 /nfs/dbraw/zinc/50/50/02/654505002.db2.gz BOADIHFENMLSDV-AWEZNQCLSA-N 1 0 384.318 2.418 20 0 GEADRO Cn1cc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c(I)n1 ZINC000894907804 654505092 /nfs/dbraw/zinc/50/50/92/654505092.db2.gz XCFSUINWJYYRHQ-KBPBESRZSA-N 1 0 398.248 2.430 20 0 GEADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2c(I)cnn2C)cc1C ZINC000894969642 654508456 /nfs/dbraw/zinc/50/84/56/654508456.db2.gz OGSGNPPQRQBCHI-AWEZNQCLSA-N 1 0 399.276 2.335 20 0 GEADRO Cn1cc(CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c(Br)n1 ZINC000924562309 654519009 /nfs/dbraw/zinc/51/90/09/654519009.db2.gz UGKDXZGPDKSBGA-UHFFFAOYSA-N 1 0 384.322 2.343 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)NCc2cn(C)nc2Br)CC1 ZINC000924563514 654519275 /nfs/dbraw/zinc/51/92/75/654519275.db2.gz HEFZEPLETGSAKL-UHFFFAOYSA-N 1 0 384.322 2.343 20 0 GEADRO Cc1c(C(=O)NCC2=CC[N@H+](C)CC2)nnn1-c1ccccc1Br ZINC000907225236 654521752 /nfs/dbraw/zinc/52/17/52/654521752.db2.gz AUFSLXLPERSBDY-UHFFFAOYSA-N 1 0 390.285 2.330 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cc(Br)ccc1Cl ZINC000924710345 654522519 /nfs/dbraw/zinc/52/25/19/654522519.db2.gz JOLWXGRIMOSYKB-CQSZACIVSA-N 1 0 378.698 2.214 20 0 GEADRO CCN(CCC[NH2+][C@H]1CCCc2ncc(Br)cc21)S(C)(=O)=O ZINC000924724902 654522937 /nfs/dbraw/zinc/52/29/37/654522937.db2.gz CAYZJEGXUOYYEM-AWEZNQCLSA-N 1 0 390.347 2.483 20 0 GEADRO O=C(NCC[NH2+][C@@H]1CCOC12CCOCC2)c1ccc(Br)cc1 ZINC000924730673 654523297 /nfs/dbraw/zinc/52/32/97/654523297.db2.gz 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CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000932715471 654786319 /nfs/dbraw/zinc/78/63/19/654786319.db2.gz KUWWEHAFVCEORX-CQSZACIVSA-N 1 0 398.345 2.461 20 0 GEADRO C[C@H](CNC(=O)C(F)(F)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000932723848 654787175 /nfs/dbraw/zinc/78/71/75/654787175.db2.gz UNCVPYYFPNUWAX-GFCCVEGCSA-N 1 0 390.272 2.293 20 0 GEADRO C[NH+]1C[C@]2(C)CN(C(=O)c3c(Br)nc4n3CCCC4)C[C@@]2(C)C1 ZINC000913276399 654787624 /nfs/dbraw/zinc/78/76/24/654787624.db2.gz ILLBPLWOPZYJMQ-IAGOWNOFSA-N 1 0 381.318 2.396 20 0 GEADRO Cc1ncc(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)c(C)c1Br ZINC000932762689 654788626 /nfs/dbraw/zinc/78/86/26/654788626.db2.gz CEXCQLDNTDLZMK-UHFFFAOYSA-N 1 0 384.322 2.172 20 0 GEADRO C[NH+](C)C1(C)CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000913404722 654790367 /nfs/dbraw/zinc/79/03/67/654790367.db2.gz KFFJNKQHYZAXAN-UHFFFAOYSA-N 1 0 382.302 2.122 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000932795219 654790952 /nfs/dbraw/zinc/79/09/52/654790952.db2.gz IPCWPHVZMYDKSB-WCQYABFASA-N 1 0 380.286 2.285 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)Nc2[nH]nc3cnc(Br)cc32)CC1 ZINC000913426739 654791472 /nfs/dbraw/zinc/79/14/72/654791472.db2.gz AJNREVRFZSORTB-UHFFFAOYSA-N 1 0 395.305 2.075 20 0 GEADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc(Br)cc(F)c1F)CC2 ZINC000932830642 654792692 /nfs/dbraw/zinc/79/26/92/654792692.db2.gz DPUBBNFAWBZQOV-GFCCVEGCSA-N 1 0 389.240 2.190 20 0 GEADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1c(F)ccc(Br)c1F)CC2 ZINC000932836782 654793041 /nfs/dbraw/zinc/79/30/41/654793041.db2.gz XJXUOFHKEVMNHL-JTQLQIEISA-N 1 0 389.240 2.190 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)[nH]nc2Br)[C@H](C)C1 ZINC000932947435 654795862 /nfs/dbraw/zinc/79/58/62/654795862.db2.gz GFVAIYUNWDMBKC-DGCLKSJQSA-N 1 0 387.322 2.347 20 0 GEADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932950532 654796666 /nfs/dbraw/zinc/79/66/66/654796666.db2.gz QAKQFPKEHQTQHO-GFCCVEGCSA-N 1 0 391.331 2.001 20 0 GEADRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000932955876 654797586 /nfs/dbraw/zinc/79/75/86/654797586.db2.gz MHVPTMNHTOOSOE-LLVKDONJSA-N 1 0 384.299 2.108 20 0 GEADRO NS(=O)(=O)C[C@@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000932962416 654798751 /nfs/dbraw/zinc/79/87/51/654798751.db2.gz QKCWJJARMUYJOA-CYBMUJFWSA-N 1 0 380.432 2.475 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCCCOc1ccc(Br)cc1 ZINC000933034940 654800562 /nfs/dbraw/zinc/80/05/62/654800562.db2.gz HWIQFLLFURZHDJ-MRXNPFEDSA-N 1 0 397.313 2.493 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC12CC[NH+](CC1)C2 ZINC000913630730 654802110 /nfs/dbraw/zinc/80/21/10/654802110.db2.gz BLRWYLFMOCTJTH-UHFFFAOYSA-N 1 0 377.238 2.442 20 0 GEADRO CN1C(=O)C[C@H](C(=O)NC23CC[NH+](CC2)C3)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000913633466 654802506 /nfs/dbraw/zinc/80/25/06/654802506.db2.gz FWJIZBFANRGWRF-BLLLJJGKSA-N 1 0 382.291 2.477 20 0 GEADRO Cc1csc(C[C@@H]2CC[N@H+](CCOc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC000933126694 654803013 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C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC000933436712 654812905 /nfs/dbraw/zinc/81/29/05/654812905.db2.gz GKRASDZUKFDTID-HOCLYGCPSA-N 1 0 390.343 2.157 20 0 GEADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000933438826 654813506 /nfs/dbraw/zinc/81/35/06/654813506.db2.gz GCGIMLIDARMRCZ-DLBZAZTESA-N 1 0 386.330 2.388 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)s1 ZINC000933445770 654813908 /nfs/dbraw/zinc/81/39/08/654813908.db2.gz PNUNJFVVSVVLMD-QGZVFWFLSA-N 1 0 386.514 2.221 20 0 GEADRO CN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@@H]1CCC[N@H+](C)C1 ZINC000933486670 654814982 /nfs/dbraw/zinc/81/49/82/654814982.db2.gz WTZURIZANJGIFJ-OCCSQVGLSA-N 1 0 380.286 2.428 20 0 GEADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cscc2C(F)F)CC1 ZINC000913925077 654816213 /nfs/dbraw/zinc/81/62/13/654816213.db2.gz MRXSXBVIIFAWBZ-UHFFFAOYSA-N 1 0 396.481 2.239 20 0 GEADRO O=C(c1cc(Br)cn2ncnc12)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000933596181 654817837 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Cc1ccc(Br)c2[nH]c(C(=O)NCC3(O)CC[NH+](C)CC3)cc21 ZINC000933838968 654828135 /nfs/dbraw/zinc/82/81/35/654828135.db2.gz UCFRQUVRVXOPHB-UHFFFAOYSA-N 1 0 380.286 2.425 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@H]1C1OCCO1 ZINC000933901664 654829320 /nfs/dbraw/zinc/82/93/20/654829320.db2.gz DLXSLHVPXHKXIO-ZDUSSCGKSA-N 1 0 389.315 2.306 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000933916831 654829886 /nfs/dbraw/zinc/82/98/86/654829886.db2.gz WESNDEIMBZDSIB-UHFFFAOYSA-N 1 0 385.306 2.198 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000933927646 654831029 /nfs/dbraw/zinc/83/10/29/654831029.db2.gz RSYKIXDUKWQLHG-SMDDNHRTSA-N 1 0 380.286 2.333 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c1F ZINC000914187116 654833512 /nfs/dbraw/zinc/83/35/12/654833512.db2.gz HYUBYIJCCMQUOK-VIFPVBQESA-N 1 0 383.283 2.215 20 0 GEADRO CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914213324 654835857 /nfs/dbraw/zinc/83/58/57/654835857.db2.gz BDUDZASLKUDBLQ-ZDUSSCGKSA-N 1 0 383.461 2.409 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000914259906 654839592 /nfs/dbraw/zinc/83/95/92/654839592.db2.gz FFZSXZVGIHJFQF-MCIONIFRSA-N 1 0 381.464 2.319 20 0 GEADRO COc1cc(Br)c(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1OC ZINC000934254048 654840102 /nfs/dbraw/zinc/84/01/02/654840102.db2.gz HQMJEXOSJDZLBO-CVEARBPZSA-N 1 0 399.329 2.497 20 0 GEADRO COc1ccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1OC ZINC000934256617 654840358 /nfs/dbraw/zinc/84/03/58/654840358.db2.gz DHOBQWNGUUSYAE-HUUCEWRRSA-N 1 0 399.329 2.497 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000914274656 654840986 /nfs/dbraw/zinc/84/09/86/654840986.db2.gz RCSGPGXWDYWVTA-GHMZBOCLSA-N 1 0 384.274 2.285 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934264586 654841598 /nfs/dbraw/zinc/84/15/98/654841598.db2.gz HXWHORKRHHGQQJ-HZPDHXFCSA-N 1 0 393.329 2.367 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1nc2cc(Br)ccc2[nH]1 ZINC000934266818 654841924 /nfs/dbraw/zinc/84/19/24/654841924.db2.gz WKLXUXPCWWDHQK-CVEARBPZSA-N 1 0 379.302 2.356 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000914298529 654842971 /nfs/dbraw/zinc/84/29/71/654842971.db2.gz ZOYKCOQKMSHWQP-UHFFFAOYSA-N 1 0 383.290 2.171 20 0 GEADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1c(Br)cnn1C1CC1 ZINC000934362300 654845563 /nfs/dbraw/zinc/84/55/63/654845563.db2.gz BBGXIZZOEGDOKQ-ZDUSSCGKSA-N 1 0 398.305 2.355 20 0 GEADRO C[N@H+]1CC=C(CNS(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000914332722 654846190 /nfs/dbraw/zinc/84/61/90/654846190.db2.gz DGWHPPLHZMIPSI-UHFFFAOYSA-N 1 0 377.279 2.270 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)Nc2c(Br)cnn2C2CC2)n1 ZINC000934370383 654846772 /nfs/dbraw/zinc/84/67/72/654846772.db2.gz PBANZLAZFBKWRK-UHFFFAOYSA-N 1 0 382.266 2.383 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)Nc2c(Br)cnn2C2CC2)CC1(C)C ZINC000934370706 654846997 /nfs/dbraw/zinc/84/69/97/654846997.db2.gz LCJABSUSPQZZFW-UHFFFAOYSA-N 1 0 399.337 2.128 20 0 GEADRO Cc1csc(C)c1S(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000914349883 654847486 /nfs/dbraw/zinc/84/74/86/654847486.db2.gz SBMLMYCAFQNWLU-QGZVFWFLSA-N 1 0 380.535 2.410 20 0 GEADRO COCC[NH+]1CCC(NC(=O)Nc2c(Br)cnn2C2CC2)CC1 ZINC000934377623 654848378 /nfs/dbraw/zinc/84/83/78/654848378.db2.gz KCGUSXDCJTWTSK-UHFFFAOYSA-N 1 0 386.294 2.213 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1cccc(Br)c1 ZINC000934410233 654849285 /nfs/dbraw/zinc/84/92/85/654849285.db2.gz NVQZYGXTHKSRFR-ZBFHGGJFSA-N 1 0 386.286 2.117 20 0 GEADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000914444387 654854683 /nfs/dbraw/zinc/85/46/83/654854683.db2.gz USCFKZIAMSYHLX-CABCVRRESA-N 1 0 387.571 2.138 20 0 GEADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000934753388 654857873 /nfs/dbraw/zinc/85/78/73/654857873.db2.gz WWCUWIFTMNCWTI-XMMPIXPASA-N 1 0 377.448 2.190 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(=O)[nH]cc1Br ZINC000934911769 654866353 /nfs/dbraw/zinc/86/63/53/654866353.db2.gz DEQMHYGVPDRCRZ-HUUCEWRRSA-N 1 0 398.301 2.047 20 0 GEADRO CC[NH+](CC)CCOC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000915280515 654867346 /nfs/dbraw/zinc/86/73/46/654867346.db2.gz XSXUJIWFGMALIO-UHFFFAOYSA-N 1 0 385.258 2.060 20 0 GEADRO Cc1cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cnc1Br ZINC000935084066 654874776 /nfs/dbraw/zinc/87/47/76/654874776.db2.gz BVPNOIXSKOBMSH-UHFFFAOYSA-N 1 0 379.258 2.128 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)c2cnn3cccc(Br)c23)CC1 ZINC000935106415 654876191 /nfs/dbraw/zinc/87/61/91/654876191.db2.gz HXWULKVCCYCREZ-UHFFFAOYSA-N 1 0 395.301 2.016 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc3c(Br)cnn3c2)C[C@H]1[NH+](C)C ZINC000935112696 654876479 /nfs/dbraw/zinc/87/64/79/654876479.db2.gz GOHXJSLTHZWGLB-ZIAGYGMSSA-N 1 0 383.315 2.214 20 0 GEADRO CS[C@@H]1CN(C(=O)c2nc(Br)c3ccccn32)C[C@@H]1[NH+](C)C ZINC000935115183 654876764 /nfs/dbraw/zinc/87/67/64/654876764.db2.gz WDRNRMLJTFUTGL-NWDGAFQWSA-N 1 0 383.315 2.214 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1=O ZINC000935172968 654880352 /nfs/dbraw/zinc/88/03/52/654880352.db2.gz BOWFEMAIUZPMPU-UHFFFAOYSA-N 1 0 384.318 2.342 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935189511 654880912 /nfs/dbraw/zinc/88/09/12/654880912.db2.gz KEIGDUMKCJHTOA-GYSYKLTISA-N 1 0 380.286 2.426 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC[N@H+]1C ZINC000935215309 654881994 /nfs/dbraw/zinc/88/19/94/654881994.db2.gz WMQHEZSPPMIALR-SUNKGSAMSA-N 1 0 380.286 2.426 20 0 GEADRO CC[NH+]1CCN(c2ccc(CNC(=S)NCc3cccs3)cn2)CC1 ZINC000916015049 654884631 /nfs/dbraw/zinc/88/46/31/654884631.db2.gz ZQNCKOUCPVOCKJ-UHFFFAOYSA-N 1 0 375.567 2.449 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000916009918 654884744 /nfs/dbraw/zinc/88/47/44/654884744.db2.gz KKQYMKBOYUQTOX-AWEZNQCLSA-N 1 0 384.571 2.098 20 0 GEADRO C[NH+](C)CC1(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CCC1 ZINC000935798656 654917799 /nfs/dbraw/zinc/91/77/99/654917799.db2.gz BKROYMOLNGZHMN-ZDUSSCGKSA-N 1 0 380.286 2.475 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4cscc4Cl)C[C@H]32)CC[N@@H+]1C ZINC000972419324 654942081 /nfs/dbraw/zinc/94/20/81/654942081.db2.gz JSPZLWXMBXZEFX-BRXULGCHSA-N 1 0 381.929 2.415 20 0 GEADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncc(Cl)s2)C3)CC1 ZINC000998333402 654951306 /nfs/dbraw/zinc/95/13/06/654951306.db2.gz VIOPJXJOZFODGK-AGIUHOORSA-N 1 0 382.917 2.000 20 0 GEADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsc1Cl)C12CC[NH+](CC1)C2 ZINC000998654468 654952554 /nfs/dbraw/zinc/95/25/54/654952554.db2.gz JOMHPZXWGXTLJV-XBFCOCLRSA-N 1 0 379.913 2.359 20 0 GEADRO CSc1cnc(Cl)c(C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)c1 ZINC001164390911 718809705 /nfs/dbraw/zinc/80/97/05/718809705.db2.gz DVDGHCNHKGTLSJ-UHFFFAOYSA-N 1 0 376.860 2.060 20 0 GEADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC(F)(C[NH3+])CC3)c2c1C ZINC001164392342 718813229 /nfs/dbraw/zinc/81/32/29/718813229.db2.gz KWXAEMZEFMFBLC-UHFFFAOYSA-N 1 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OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164403073 718854044 /nfs/dbraw/zinc/85/40/44/718854044.db2.gz HKBPGPYRCKGOQO-PBHICJAKSA-N 1 0 380.826 2.360 20 0 GEADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164408477 718865017 /nfs/dbraw/zinc/86/50/17/718865017.db2.gz MDNDESKEEUGXRR-RYUDHWBXSA-N 1 0 385.802 2.145 20 0 GEADRO FC(F)(c1cnc(Cl)nc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416504 718884958 /nfs/dbraw/zinc/88/49/58/718884958.db2.gz XSNBAFDXTOUFSB-UHFFFAOYSA-N 1 0 390.225 2.019 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(OC)nc1Cl ZINC001164618719 719015113 /nfs/dbraw/zinc/01/51/13/719015113.db2.gz SNFIEMQOPWGBGL-ZMLRMANQSA-N 1 0 375.803 2.018 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cnc(F)cc43)CC2)CC1 ZINC001164613767 719024021 /nfs/dbraw/zinc/02/40/21/719024021.db2.gz CTNYYZPQMRBKKO-UHFFFAOYSA-N 1 0 387.459 2.408 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)nncc3OC)CC2)CC1 ZINC001164617041 719025974 /nfs/dbraw/zinc/02/59/74/719025974.db2.gz JOWVHAPGANQIBN-UHFFFAOYSA-N 1 0 382.892 2.383 20 0 GEADRO CNS(=O)(=O)c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630427 719087075 /nfs/dbraw/zinc/08/70/75/719087075.db2.gz WJJCATFFOFXLJE-ROUUACIJSA-N 1 0 386.521 2.091 20 0 GEADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001164625109 719115156 /nfs/dbraw/zinc/11/51/56/719115156.db2.gz GNEZRYAEUYYBGK-KOLCDFICSA-N 1 0 392.809 2.365 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164624826 719132706 /nfs/dbraw/zinc/13/27/06/719132706.db2.gz WLBLMSOWNXKOBW-LLVKDONJSA-N 1 0 391.205 2.433 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164621204 719133071 /nfs/dbraw/zinc/13/30/71/719133071.db2.gz LUAACCGSSFOOPT-NSHDSACASA-N 1 0 391.205 2.433 20 0 GEADRO C[C@@H]1CN(c2ncnc3c2ccn3S(=O)(=O)c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC001164640768 719179714 /nfs/dbraw/zinc/17/97/14/719179714.db2.gz VZGXIAMMZUAFMZ-CABCVRRESA-N 1 0 385.493 2.197 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(N2CCN(c3ccccc3F)CC2)ncn1 ZINC001164634046 719242534 /nfs/dbraw/zinc/24/25/34/719242534.db2.gz MERFELVEBFLDMD-IRXDYDNUSA-N 1 0 384.503 2.471 20 0 GEADRO C[N@H+](Cc1ccc(N2C[C@@H](N3CCCC3=O)[C@@H]3OCCC[C@H]3C2)nc1)C1CC1 ZINC001164656920 719305235 /nfs/dbraw/zinc/30/52/35/719305235.db2.gz ZIHGZKGPLAIPLM-LRXVAGHRSA-N 1 0 384.524 2.282 20 0 GEADRO C[NH+](C)Cc1ccnc(N2CCCn3nnc(COc4cccnc4)c3C2)c1 ZINC001164652136 719328079 /nfs/dbraw/zinc/32/80/79/719328079.db2.gz BPSINPGEJHQSAS-UHFFFAOYSA-N 1 0 379.468 2.119 20 0 GEADRO CCOC(=O)[C@H]1CCCN(c2ccc(N3CC[NH+](CC(C)C)CC3)nn2)C1 ZINC001164657442 719337768 /nfs/dbraw/zinc/33/77/68/719337768.db2.gz MGCFLATWLJHXKW-KRWDZBQOSA-N 1 0 375.517 2.034 20 0 GEADRO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC000153175965 719442080 /nfs/dbraw/zinc/44/20/80/719442080.db2.gz RPISOJQSQUQREL-JKSUJKDBSA-N 1 0 387.553 2.423 20 0 GEADRO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC001164668088 719483771 /nfs/dbraw/zinc/48/37/71/719483771.db2.gz NWAOQKVLSUPQPP-XJKSGUPXSA-N 1 0 376.844 2.450 20 0 GEADRO O=C([C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)CC12CCOCC2)N1CC=CC1 ZINC001164676636 719559155 /nfs/dbraw/zinc/55/91/55/719559155.db2.gz DJVLXSPKNWNLJX-FQEVSTJZSA-N 1 0 396.535 2.309 20 0 GEADRO CC(C)N(C)Cc1nn(-c2ccc(C(=O)NC(C)(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164681608 719623238 /nfs/dbraw/zinc/62/32/38/719623238.db2.gz IWGSOALKDLLAMJ-UHFFFAOYSA-N 1 0 384.528 2.282 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164689598 719747225 /nfs/dbraw/zinc/74/72/25/719747225.db2.gz ISNGEHDFEFVZNJ-UHFFFAOYSA-N 1 0 383.471 2.464 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccn3)nc(C)c1C)CC2 ZINC001164690009 719748624 /nfs/dbraw/zinc/74/86/24/719748624.db2.gz OLTCBWNYGVQADZ-UHFFFAOYSA-N 1 0 394.523 2.336 20 0 GEADRO Cc1ccc(C(N)=O)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696205 719897508 /nfs/dbraw/zinc/89/75/08/719897508.db2.gz BZMNGCNIPXSQBC-UHFFFAOYSA-N 1 0 386.521 2.422 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-n3cnc(C)c3)nn1)C2 ZINC001164808080 720143810 /nfs/dbraw/zinc/14/38/10/720143810.db2.gz DLFWXAHBNYZJOS-WIYYLYMNSA-N 1 0 382.512 2.155 20 0 GEADRO Cc1nc(C(C)C)cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164713485 720169020 /nfs/dbraw/zinc/16/90/20/720169020.db2.gz LDIPXXMUHVXELB-IBGZPJMESA-N 1 0 399.543 2.253 20 0 GEADRO Cn1nnc2c1CCN(c1cc(Cl)ncc1F)[C@H]2COCC[NH+]1CCCC1 ZINC001164719527 720179642 /nfs/dbraw/zinc/17/96/42/720179642.db2.gz VQQBUEUCAGKCPR-INIZCTEOSA-N 1 0 394.882 2.219 20 0 GEADRO Cn1nnc2c1CCN(c1ncc(F)c3cc[nH]c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715984 720192816 /nfs/dbraw/zinc/19/28/16/720192816.db2.gz NNEJLBPTACKCBH-KRWDZBQOSA-N 1 0 399.474 2.047 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc3ccccc3n1)CCC2 ZINC001164810854 720213119 /nfs/dbraw/zinc/21/31/19/720213119.db2.gz FFPMRZWOHZLFTE-UHFFFAOYSA-N 1 0 378.480 2.437 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nncc3ccccc31)CCC2 ZINC001164811906 720218014 /nfs/dbraw/zinc/21/80/14/720218014.db2.gz ACTQAMJUTAFTTI-UHFFFAOYSA-N 1 0 378.480 2.437 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccnc1OC1CCC1)CCC2 ZINC001164817704 720244304 /nfs/dbraw/zinc/24/43/04/720244304.db2.gz UCXSQVGNGAFZCY-UHFFFAOYSA-N 1 0 398.511 2.215 20 0 GEADRO CCc1cc(CC)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164818374 720245760 /nfs/dbraw/zinc/24/57/60/720245760.db2.gz YXKTUIPBAPOYFR-UHFFFAOYSA-N 1 0 384.528 2.409 20 0 GEADRO C[N@H+](Cc1ccc(N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)nc1)C1CC1 ZINC001164818977 720267303 /nfs/dbraw/zinc/26/73/03/720267303.db2.gz OAGRQUTZXXTTOO-SFHVURJKSA-N 1 0 394.523 2.131 20 0 GEADRO C[NH+]1CCN(c2cccc(N3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)n2)CC1 ZINC001164819918 720279438 /nfs/dbraw/zinc/27/94/38/720279438.db2.gz TVRDFJKAWNFXQX-JOCHJYFZSA-N 1 0 383.540 2.062 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ncc2F)CC1 ZINC001164817929 720289368 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C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000162699245 531847245 /nfs/dbraw/zinc/84/72/45/531847245.db2.gz ALMVWNAZBZKPKP-KGLIPLIRSA-N 1 0 385.302 2.301 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000163657522 531862355 /nfs/dbraw/zinc/86/23/55/531862355.db2.gz OXKQVCQMYQNPLI-DLBZAZTESA-N 1 0 386.323 2.265 20 0 GEADRO CCCC[N@@H+](CC(N)=O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064141469 531864099 /nfs/dbraw/zinc/86/40/99/531864099.db2.gz BWHSFMFYWSTLDT-LBPRGKRZSA-N 1 0 393.709 2.430 20 0 GEADRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000165379551 531872505 /nfs/dbraw/zinc/87/25/05/531872505.db2.gz OBEFZLWKHMNEHU-OCCSQVGLSA-N 1 0 395.301 2.163 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000064712000 531870291 /nfs/dbraw/zinc/87/02/91/531870291.db2.gz ZPGMPODQURFGMH-SJORKVTESA-N 1 0 375.579 2.207 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000068080014 531896107 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CCN(CC[NH3+])C(=O)C(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000626853347 531936939 /nfs/dbraw/zinc/93/69/39/531936939.db2.gz WFPWEACPALTQIO-UHFFFAOYSA-N 1 0 384.267 2.233 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000097590909 531937819 /nfs/dbraw/zinc/93/78/19/531937819.db2.gz DPBMLXFMPJVCSK-GXTWGEPZSA-N 1 0 388.917 2.053 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000097590903 531937906 /nfs/dbraw/zinc/93/79/06/531937906.db2.gz DPBMLXFMPJVCSK-JSGCOSHPSA-N 1 0 388.917 2.053 20 0 GEADRO CC(C)(CNC(=O)c1cnn2cc(Br)cnc12)[NH+]1CCCCC1 ZINC000093905134 531927760 /nfs/dbraw/zinc/92/77/60/531927760.db2.gz SWOCAVNPSLDKCL-UHFFFAOYSA-N 1 0 380.290 2.486 20 0 GEADRO O=C(CNC(=O)c1cccs1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112206439 531945480 /nfs/dbraw/zinc/94/54/80/531945480.db2.gz FCFCERUQYOGWKO-UHFFFAOYSA-N 1 0 381.567 2.346 20 0 GEADRO O=C(C[N@@H+](CCCCO)C1CC1)Nc1ccc(I)cc1 ZINC000112657776 531949071 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O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000174826706 532080324 /nfs/dbraw/zinc/08/03/24/532080324.db2.gz MNYXDLZXEVAROZ-GFCCVEGCSA-N 1 0 384.249 2.223 20 0 GEADRO COc1cc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000175028319 532087597 /nfs/dbraw/zinc/08/75/97/532087597.db2.gz UYWSFUPJKIEDQL-LBPRGKRZSA-N 1 0 385.306 2.215 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)c2ccc(Br)s2)CC[N@@H+]1C ZINC000175099182 532088906 /nfs/dbraw/zinc/08/89/06/532088906.db2.gz WLBZJPLQKFVBEN-GHMZBOCLSA-N 1 0 388.331 2.182 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)CNC(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000175101649 532089162 /nfs/dbraw/zinc/08/91/62/532089162.db2.gz DJPVDOKMXTZSRK-WFASDCNBSA-N 1 0 382.302 2.120 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc(I)c1 ZINC000123072854 532092446 /nfs/dbraw/zinc/09/24/46/532092446.db2.gz NPMQLNVRMDYKNS-GWCFXTLKSA-N 1 0 394.278 2.182 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000175319193 532099520 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C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1Br ZINC000181034621 532289104 /nfs/dbraw/zinc/28/91/04/532289104.db2.gz VVXSMFKIMZPZIM-LSDHHAIUSA-N 1 0 396.329 2.033 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1cc2c(cc1Br)OCCO2 ZINC000180480194 532272516 /nfs/dbraw/zinc/27/25/16/532272516.db2.gz LOADBXIIFANFBP-NEPJUHHUSA-N 1 0 382.258 2.129 20 0 GEADRO C[C@H](Sc1nncn1C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000139981230 532293455 /nfs/dbraw/zinc/29/34/55/532293455.db2.gz AAHAHXINEOWOGB-KBPBESRZSA-N 1 0 379.555 2.386 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(Br)nc3C)C2)CC1 ZINC000181324590 532295989 /nfs/dbraw/zinc/29/59/89/532295989.db2.gz JQMVHQDGILIWEY-CQSZACIVSA-N 1 0 396.333 2.396 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccnc1Br)C1CCCCC1 ZINC000181444803 532298671 /nfs/dbraw/zinc/29/86/71/532298671.db2.gz WESQGBGKRJMANX-AWEZNQCLSA-N 1 0 397.317 2.409 20 0 GEADRO NC(=O)C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000182055199 532308483 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NC(=O)C[C@H]([NH2+]Cc1ccc(I)cc1)C1CCOCC1 ZINC000181932474 532308039 /nfs/dbraw/zinc/30/80/39/532308039.db2.gz GUUNIXAFGJDSSF-AWEZNQCLSA-N 1 0 388.249 2.051 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cc(F)ccc3Br)C2)CC1 ZINC000137694365 532290150 /nfs/dbraw/zinc/29/01/50/532290150.db2.gz UMGCVVMNBOAPSG-INIZCTEOSA-N 1 0 398.320 2.369 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183434394 532324973 /nfs/dbraw/zinc/32/49/73/532324973.db2.gz MLMALGSBYQTOLD-QMMMGPOBSA-N 1 0 377.080 2.288 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCCNc1cccc(Br)c1 ZINC000182347520 532312077 /nfs/dbraw/zinc/31/20/77/532312077.db2.gz SGPFRAMGBKHZCC-UHFFFAOYSA-N 1 0 399.333 2.273 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182486019 532314325 /nfs/dbraw/zinc/31/43/25/532314325.db2.gz MWXNBVGPSXBKIS-JTQLQIEISA-N 1 0 391.260 2.485 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000182971331 532319743 /nfs/dbraw/zinc/31/97/43/532319743.db2.gz 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[NH3+][C@H]1CC[C@H]2CN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000185163427 532337140 /nfs/dbraw/zinc/33/71/40/532337140.db2.gz KICZYOSCHXVZJW-UKMLZYKCSA-N 1 0 379.913 2.051 20 0 GEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(I)cc1 ZINC000185227178 532337216 /nfs/dbraw/zinc/33/72/16/532337216.db2.gz CVUCLRWHNFRQJZ-UHFFFAOYSA-N 1 0 394.278 2.006 20 0 GEADRO Cc1ccc(CCC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000185337869 532337595 /nfs/dbraw/zinc/33/75/95/532337595.db2.gz QHYXKKHCKIGLCM-OAHLLOKOSA-N 1 0 382.346 2.442 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000185346391 532337634 /nfs/dbraw/zinc/33/76/34/532337634.db2.gz YKBJHZYOXADQIC-CYBMUJFWSA-N 1 0 379.448 2.010 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000185346134 532337707 /nfs/dbraw/zinc/33/77/07/532337707.db2.gz GICQMXZFJBXLTK-LBPRGKRZSA-N 1 0 380.341 2.298 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000185569707 532338057 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CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1=CC[NH2+]CC1 ZINC000186340961 532340658 /nfs/dbraw/zinc/34/06/58/532340658.db2.gz VRFYSPHYQXXCAP-MRXNPFEDSA-N 1 0 381.929 2.227 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000186395047 532340745 /nfs/dbraw/zinc/34/07/45/532340745.db2.gz PVVRSESCQCFRJA-UHFFFAOYSA-N 1 0 379.233 2.423 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000186505690 532341117 /nfs/dbraw/zinc/34/11/17/532341117.db2.gz UXBDOLNCZPUPRG-NSHDSACASA-N 1 0 386.265 2.245 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000186628593 532341525 /nfs/dbraw/zinc/34/15/25/532341525.db2.gz MFIFQJLQLPLBEA-STQMWFEESA-N 1 0 378.489 2.183 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1ccccc1Br ZINC000186879787 532342405 /nfs/dbraw/zinc/34/24/05/532342405.db2.gz UZYMFZWCEWTIGO-CYBMUJFWSA-N 1 0 385.302 2.132 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cccc(Br)c2OC)CC1 ZINC000186933138 532342575 /nfs/dbraw/zinc/34/25/75/532342575.db2.gz NDLWKYBMENGPOV-UHFFFAOYSA-N 1 0 398.345 2.444 20 0 GEADRO O[C@H](CN1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000187082052 532343123 /nfs/dbraw/zinc/34/31/23/532343123.db2.gz ZOVYJZOODYBDNA-CXAGYDPISA-N 1 0 387.293 2.276 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000187167973 532343360 /nfs/dbraw/zinc/34/33/60/532343360.db2.gz ZEDKEKWUIXUFGQ-LLVKDONJSA-N 1 0 399.866 2.273 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@@H+]1C ZINC000183671005 532327309 /nfs/dbraw/zinc/32/73/09/532327309.db2.gz LKZCFMPAZVOORT-GHMZBOCLSA-N 1 0 396.285 2.335 20 0 GEADRO CNC(=O)NC(=O)CC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183818991 532329221 /nfs/dbraw/zinc/32/92/21/532329221.db2.gz PIPAUFXWCSCECN-UHFFFAOYSA-N 1 0 384.274 2.138 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000184083786 532330811 /nfs/dbraw/zinc/33/08/11/532330811.db2.gz OGOUQBIKVHSBKQ-UHFFFAOYSA-N 1 0 397.310 2.463 20 0 GEADRO COc1cc(C[NH2+][C@@]2(CO)CCOC2)cc(Br)c1OC(F)F ZINC000184199315 532331145 /nfs/dbraw/zinc/33/11/45/532331145.db2.gz KTZPFAJRYPLGOA-CQSZACIVSA-N 1 0 382.201 2.300 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(F)c(F)cc1Br ZINC000184301033 532331631 /nfs/dbraw/zinc/33/16/31/532331631.db2.gz WXDBAYQOUUFJHE-NSHDSACASA-N 1 0 390.272 2.483 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184304352 532331801 /nfs/dbraw/zinc/33/18/01/532331801.db2.gz ARUCHYQPBJAMBH-HNNXBMFYSA-N 1 0 382.346 2.442 20 0 GEADRO COc1ccc(Br)c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000184376317 532332312 /nfs/dbraw/zinc/33/23/12/532332312.db2.gz RRRRDEBUNUYHOE-CYBMUJFWSA-N 1 0 384.318 2.214 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(Br)c(C)cc1OC ZINC000184668572 532333944 /nfs/dbraw/zinc/33/39/44/532333944.db2.gz YHULFRHUDVGAKV-UHFFFAOYSA-N 1 0 386.290 2.163 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Br)c(C)cc1OC)C1CC1 ZINC000184669035 532334357 /nfs/dbraw/zinc/33/43/57/532334357.db2.gz LTDJDTIJAPWJDD-UHFFFAOYSA-N 1 0 398.301 2.305 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@@H]12 ZINC000185008992 532336581 /nfs/dbraw/zinc/33/65/81/532336581.db2.gz BGONGMCHKXNOCP-MRCXROJRSA-N 1 0 376.254 2.100 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000188161607 532346968 /nfs/dbraw/zinc/34/69/68/532346968.db2.gz YRYVYFIRWGBFDY-OAHLLOKOSA-N 1 0 381.314 2.481 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188188734 532347122 /nfs/dbraw/zinc/34/71/22/532347122.db2.gz QSACZTBKNDMXQV-NSHDSACASA-N 1 0 398.331 2.437 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)c(C)nc1OC ZINC000188189716 532347187 /nfs/dbraw/zinc/34/71/87/532347187.db2.gz ORIZWGQZPSKPKC-LBPRGKRZSA-N 1 0 388.306 2.248 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000188208477 532347356 /nfs/dbraw/zinc/34/73/56/532347356.db2.gz SODCOMBZKUZVAF-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188240744 532347482 /nfs/dbraw/zinc/34/74/82/532347482.db2.gz HIIUEBHQCCJIJO-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000188243864 532347588 /nfs/dbraw/zinc/34/75/88/532347588.db2.gz ZZTGYCHRPTWNMP-UHFFFAOYSA-N 1 0 386.265 2.469 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188652130 532348863 /nfs/dbraw/zinc/34/88/63/532348863.db2.gz XKSCYLRCLHJPCE-GFCCVEGCSA-N 1 0 385.302 2.375 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000188662341 532349074 /nfs/dbraw/zinc/34/90/74/532349074.db2.gz JHVXNAIVOSCHHW-QGZVFWFLSA-N 1 0 394.313 2.323 20 0 GEADRO CCOc1c(Br)cc(CN2CC[NH+](C[C@@H](C)O)CC2)cc1OC ZINC000188735572 532349389 /nfs/dbraw/zinc/34/93/89/532349389.db2.gz WRDKFAZTXDVZOY-CYBMUJFWSA-N 1 0 387.318 2.355 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1Br ZINC000188752716 532349574 /nfs/dbraw/zinc/34/95/74/532349574.db2.gz ZSRZAVGEBNROAH-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000189139351 532351017 /nfs/dbraw/zinc/35/10/17/532351017.db2.gz GETFBGWSCPOMRU-LBPRGKRZSA-N 1 0 376.906 2.366 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000189262368 532351529 /nfs/dbraw/zinc/35/15/29/532351529.db2.gz OLGZYLIDNABSFH-SUNKGSAMSA-N 1 0 378.416 2.048 20 0 GEADRO C[C@@H](O)C[NH+]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000189350363 532351825 /nfs/dbraw/zinc/35/18/25/532351825.db2.gz UXSZZBIMANFNDY-CQSZACIVSA-N 1 0 391.313 2.405 20 0 GEADRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000189399481 532352037 /nfs/dbraw/zinc/35/20/37/532352037.db2.gz ZAHAZYCEIVJRHZ-QWRGUYRKSA-N 1 0 378.441 2.209 20 0 GEADRO Cc1sc2ncnc(SCC(=O)NCCN3CCCOCC3)c2c1C ZINC000189448934 532352223 /nfs/dbraw/zinc/35/22/23/532352223.db2.gz HSWVAHGCVBBHAY-UHFFFAOYSA-N 1 0 380.539 2.239 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CC2 ZINC000189520465 532352478 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COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000190158512 532355107 /nfs/dbraw/zinc/35/51/07/532355107.db2.gz SNWZQCQBJDCBRG-CQSZACIVSA-N 1 0 386.539 2.340 20 0 GEADRO CC(C)(O)C[NH+]1CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190509810 532356579 /nfs/dbraw/zinc/35/65/79/532356579.db2.gz KHIYOBGYKPGWTG-MRXNPFEDSA-N 1 0 386.323 2.487 20 0 GEADRO C[C@H](O)C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H](C)CO ZINC000190836839 532358292 /nfs/dbraw/zinc/35/82/92/532358292.db2.gz JPEIXLMQOVRQEU-STQMWFEESA-N 1 0 380.286 2.470 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000190875313 532358516 /nfs/dbraw/zinc/35/85/16/532358516.db2.gz RXBDNXJAEIDOAX-VIFPVBQESA-N 1 0 390.228 2.218 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(SC)c(Cl)c2)CC1 ZINC000190907371 532358683 /nfs/dbraw/zinc/35/86/83/532358683.db2.gz DKKNUZWAZGBOOT-ZDUSSCGKSA-N 1 0 391.990 2.366 20 0 GEADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCO3)cc2Br)CC1 ZINC000191083454 532359541 /nfs/dbraw/zinc/35/95/41/532359541.db2.gz HNHKIOCWPQVEOU-INIZCTEOSA-N 1 0 382.302 2.314 20 0 GEADRO CC(C)CNC(=O)[C@@H](C)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306643 532360397 /nfs/dbraw/zinc/36/03/97/532360397.db2.gz JSWUQAVRAGXFCA-LLVKDONJSA-N 1 0 379.452 2.230 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000187340946 532344018 /nfs/dbraw/zinc/34/40/18/532344018.db2.gz YEEYRGCZIKINOI-UHFFFAOYSA-N 1 0 379.931 2.048 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000187397797 532344301 /nfs/dbraw/zinc/34/43/01/532344301.db2.gz IBDNCTDZNURQIB-LBPRGKRZSA-N 1 0 387.311 2.074 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@]1(CO)CCOC1 ZINC000187518380 532344641 /nfs/dbraw/zinc/34/46/41/532344641.db2.gz UTNJRSAQDYHWGR-GFCCVEGCSA-N 1 0 380.080 2.035 20 0 GEADRO [NH3+]Cc1cc(C(=O)NCCCNC(=O)c2cccc(Br)c2)co1 ZINC000187600122 532344926 /nfs/dbraw/zinc/34/49/26/532344926.db2.gz RKFMYFIAAAEIBZ-UHFFFAOYSA-N 1 0 380.242 2.051 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000187713087 532345320 /nfs/dbraw/zinc/34/53/20/532345320.db2.gz PMCPHCJRPSJYFR-UHFFFAOYSA-N 1 0 390.228 2.218 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1-n1cc(Br)cn1 ZINC000294638686 532372087 /nfs/dbraw/zinc/37/20/87/532372087.db2.gz UVSUZKPPKDASHB-GFCCVEGCSA-N 1 0 390.285 2.244 20 0 GEADRO COC(=O)[C@@H](NC(=O)C[N@H+](C)CCc1cccc(Br)c1)C(C)C ZINC000463433824 532372208 /nfs/dbraw/zinc/37/22/08/532372208.db2.gz YOIVHEDGOLPJQD-INIZCTEOSA-N 1 0 385.302 2.237 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000515814763 532372518 /nfs/dbraw/zinc/37/25/18/532372518.db2.gz UTZHKLODPRSIMO-UHFFFAOYSA-N 1 0 389.924 2.115 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000647238117 532372700 /nfs/dbraw/zinc/37/27/00/532372700.db2.gz FLKAQEPWSQZVLO-BBRMVZONSA-N 1 0 385.917 2.451 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647263419 532373025 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C[C@H](NC(=O)c1ccc(Br)cc1-n1cncn1)C1CC[NH+](C)CC1 ZINC000677552489 532377899 /nfs/dbraw/zinc/37/78/99/532377899.db2.gz VCHKFEMFUZNOHA-LBPRGKRZSA-N 1 0 392.301 2.490 20 0 GEADRO C[C@@H](NC(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1)C(=O)N(C)C ZINC000191458018 532361157 /nfs/dbraw/zinc/36/11/57/532361157.db2.gz YWJRIGXFEDETNY-CYBMUJFWSA-N 1 0 396.329 2.254 20 0 GEADRO O=C1CNC(=O)N1CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191548506 532361362 /nfs/dbraw/zinc/36/13/62/532361362.db2.gz HCFTWSILGLSANO-INIZCTEOSA-N 1 0 396.285 2.058 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000277766013 532363021 /nfs/dbraw/zinc/36/30/21/532363021.db2.gz ZLIZGWGZDJNSDJ-IAQYHMDHSA-N 1 0 387.933 2.145 20 0 GEADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cc2c(cc1Br)OCO2 ZINC000621653139 532364855 /nfs/dbraw/zinc/36/48/55/532364855.db2.gz QEOIZIFAPQLXIW-UHFFFAOYSA-N 1 0 376.210 2.471 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(c3ccccc3Br)C1)C2 ZINC000621696973 532365040 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COc1cc(Br)cc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000647255494 532371796 /nfs/dbraw/zinc/37/17/96/532371796.db2.gz BBYJDALDCIZRJR-CQSZACIVSA-N 1 0 377.304 2.076 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)ccc1Br ZINC000647256097 532371816 /nfs/dbraw/zinc/37/18/16/532371816.db2.gz COSAUBKCFGACAH-CYBMUJFWSA-N 1 0 377.304 2.076 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC000677581220 532379537 /nfs/dbraw/zinc/37/95/37/532379537.db2.gz BBRPGQGLLNKXSS-HNNXBMFYSA-N 1 0 387.293 2.436 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000192032806 532379662 /nfs/dbraw/zinc/37/96/62/532379662.db2.gz UZUPIZUJNDPUDK-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)CCOc2cccc(I)c2)C1 ZINC000278421662 532379946 /nfs/dbraw/zinc/37/99/46/532379946.db2.gz IOXBHRBGFQTZLZ-GFCCVEGCSA-N 1 0 388.249 2.128 20 0 GEADRO C[C@H](Sc1nncn1C)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000647697264 532380080 /nfs/dbraw/zinc/38/00/80/532380080.db2.gz 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2.094 20 0 GEADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000516470230 532385571 /nfs/dbraw/zinc/38/55/71/532385571.db2.gz JCWLOTYALMTIGT-WDEREUQCSA-N 1 0 379.404 2.404 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000648119735 532385692 /nfs/dbraw/zinc/38/56/92/532385692.db2.gz WPDSDBFKCUGIEN-CYBMUJFWSA-N 1 0 383.290 2.219 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc1Br ZINC000516419697 532386409 /nfs/dbraw/zinc/38/64/09/532386409.db2.gz YPTNYFZMBPRXCP-UHFFFAOYSA-N 1 0 382.302 2.496 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C)c1Cl ZINC000278886648 532387215 /nfs/dbraw/zinc/38/72/15/532387215.db2.gz SXXJHLLCTPJLDC-JTQLQIEISA-N 1 0 380.919 2.069 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2N1 ZINC000516607054 532388395 /nfs/dbraw/zinc/38/83/95/532388395.db2.gz FDBMAAVGQQJFEA-DZGCQCFKSA-N 1 0 383.901 2.130 20 0 GEADRO COC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCO1 ZINC000279137253 532389359 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O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cccc(F)c1Br)CCO2 ZINC000294971185 532393805 /nfs/dbraw/zinc/39/38/05/532393805.db2.gz FNJVYCWTKJFEFL-WFASDCNBSA-N 1 0 392.290 2.414 20 0 GEADRO C[C@@H](NC(=O)c1cccnc1-n1cc(Br)cn1)C1CC[NH+](C)CC1 ZINC000648323494 532394061 /nfs/dbraw/zinc/39/40/61/532394061.db2.gz UGNGHZDDTAUDCH-GFCCVEGCSA-N 1 0 392.301 2.490 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425776214 532394836 /nfs/dbraw/zinc/39/48/36/532394836.db2.gz YPMFCQXNMFBSDJ-SNVBAGLBSA-N 1 0 375.803 2.433 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000279453657 532395012 /nfs/dbraw/zinc/39/50/12/532395012.db2.gz GDXZTEOFDDAVBK-UHFFFAOYSA-N 1 0 381.274 2.120 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C[N@@H+]1C1CC1 ZINC000295049639 532398765 /nfs/dbraw/zinc/39/87/65/532398765.db2.gz UJDHBEAMFGZDBF-DGCLKSJQSA-N 1 0 390.285 2.385 20 0 GEADRO CC(C)(C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)NS(C)(=O)=O ZINC000678583738 532397074 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COc1ncc(Br)cc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000624633309 532400915 /nfs/dbraw/zinc/40/09/15/532400915.db2.gz NZNUGYPIZKKZBC-KBPBESRZSA-N 1 0 383.290 2.279 20 0 GEADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000678786229 532401026 /nfs/dbraw/zinc/40/10/26/532401026.db2.gz IPYOUYNLZAZDJM-LBPRGKRZSA-N 1 0 377.503 2.095 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624633311 532401063 /nfs/dbraw/zinc/40/10/63/532401063.db2.gz NZNUGYPIZKKZBC-UONOGXRCSA-N 1 0 383.290 2.279 20 0 GEADRO O[C@H](CNC[C@H](O)COc1ccc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000516970524 532401166 /nfs/dbraw/zinc/40/11/66/532401166.db2.gz RPWHTTJZKBDBCU-CABCVRRESA-N 1 0 377.312 2.170 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1csc(Cl)c1 ZINC000372715730 532403247 /nfs/dbraw/zinc/40/32/47/532403247.db2.gz NGNBFTFFCWHJIC-LBPRGKRZSA-N 1 0 393.962 2.094 20 0 GEADRO C[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc(Br)cc1F ZINC000372686045 532401310 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Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000465399385 532415142 /nfs/dbraw/zinc/41/51/42/532415142.db2.gz DJLFJGLGNHNQSQ-GXTWGEPZSA-N 1 0 397.317 2.478 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000465399387 532415279 /nfs/dbraw/zinc/41/52/79/532415279.db2.gz DJLFJGLGNHNQSQ-JSGCOSHPSA-N 1 0 397.317 2.478 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1F ZINC000192969404 532415495 /nfs/dbraw/zinc/41/54/95/532415495.db2.gz YVVPEUQBRQWJBN-LLVKDONJSA-N 1 0 386.265 2.293 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000680509665 532415730 /nfs/dbraw/zinc/41/57/30/532415730.db2.gz FLOPKBCPEMNDRJ-OLZOCXBDSA-N 1 0 387.571 2.296 20 0 GEADRO Cc1cc(Br)ccc1SCC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000517424674 532417069 /nfs/dbraw/zinc/41/70/69/532417069.db2.gz LBSFHDQEMAKTCA-QGZVFWFLSA-N 1 0 399.354 2.423 20 0 GEADRO CN1CCC[C@]2(CC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)C1=O ZINC000372905867 532418562 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CC(=O)N[C@H](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2)c1ccc(Br)cc1 ZINC000372920366 532419331 /nfs/dbraw/zinc/41/93/31/532419331.db2.gz AJMHDTHSZRJMIZ-YYIAUSFCSA-N 1 0 394.313 2.497 20 0 GEADRO C[NH2+]C[C@@H](C)C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000591687934 532419641 /nfs/dbraw/zinc/41/96/41/532419641.db2.gz KBZPBLGMPDATCS-DFBGVHRSSA-N 1 0 383.286 2.020 20 0 GEADRO O=S1(=O)CCO[C@H](C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000560546526 532419783 /nfs/dbraw/zinc/41/97/83/532419783.db2.gz VFVFJOBGPHKTOM-CABCVRRESA-N 1 0 379.400 2.440 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000680621380 532419782 /nfs/dbraw/zinc/41/97/82/532419782.db2.gz AAUUZAJEKDGPOI-ZDUSSCGKSA-N 1 0 389.315 2.220 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000680636504 532419794 /nfs/dbraw/zinc/41/97/94/532419794.db2.gz RXUGHWPLHIMZFH-UHFFFAOYSA-N 1 0 392.301 2.280 20 0 GEADRO COC(=O)Cc1csc(NC(=O)CN2CC[C@@H](C(F)(F)F)C[C@H]2C)n1 ZINC000295216745 532419946 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GEADRO O=C(C[C@H]1CCC[NH2+]CC1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000427387349 532423952 /nfs/dbraw/zinc/42/39/52/532423952.db2.gz QOQXYNMBVDWHRU-AWEZNQCLSA-N 1 0 396.329 2.465 20 0 GEADRO CN(C(=O)c1cc(Br)c2c(c1)OCCO2)[C@@H]1C[NH+]2CCC1CC2 ZINC000517698415 532423683 /nfs/dbraw/zinc/42/36/83/532423683.db2.gz XPPJAXVSMKPQJA-CQSZACIVSA-N 1 0 381.270 2.387 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1CCOCC1 ZINC000295246655 532426394 /nfs/dbraw/zinc/42/63/94/532426394.db2.gz TXCMDUGTDPELEC-LBPRGKRZSA-N 1 0 385.302 2.479 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000427606292 532427865 /nfs/dbraw/zinc/42/78/65/532427865.db2.gz JHDSOPNVYPQNIS-JLZZUVOBSA-N 1 0 386.323 2.481 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1Br ZINC000373052558 532428677 /nfs/dbraw/zinc/42/86/77/532428677.db2.gz CFOSPTLZNPWQJN-FZMZJTMJSA-N 1 0 389.315 2.220 20 0 GEADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373055376 532428845 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QGNUVGJZXMHWOS-CVEARBPZSA-N 1 0 376.881 2.386 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(F)c3)C2)C1 ZINC000652374376 532508696 /nfs/dbraw/zinc/50/86/96/532508696.db2.gz PYSZVHDQJWUXMF-HWWQOWPSSA-N 1 0 376.881 2.386 20 0 GEADRO O=C(C[C@@H]1COCC[NH2+]1)NCCOc1ccc2cc(Br)ccc2c1 ZINC000563804031 532509672 /nfs/dbraw/zinc/50/96/72/532509672.db2.gz ZBYDZMXGCSZSFV-MRXNPFEDSA-N 1 0 393.281 2.476 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CN1C1CC1 ZINC000563799644 532510023 /nfs/dbraw/zinc/51/00/23/532510023.db2.gz XKYNXHUOLRUIHY-CMPLNLGQSA-N 1 0 383.901 2.128 20 0 GEADRO C[C@@H]1CN(C(=O)COc2cccc(I)c2)[C@@H](C)C[N@@H+]1C ZINC000469736543 532509956 /nfs/dbraw/zinc/50/99/56/532509956.db2.gz WTZTZCCBLMBRBH-NEPJUHHUSA-N 1 0 388.249 2.221 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)[C@@H]1CC[NH3+] ZINC000652378368 532510127 /nfs/dbraw/zinc/51/01/27/532510127.db2.gz ICHJTXLXARVMOQ-XHDPSFHLSA-N 1 0 385.917 2.363 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594483028 532510438 /nfs/dbraw/zinc/51/04/38/532510438.db2.gz HQDXJCKFIQUFCL-HUUCEWRRSA-N 1 0 386.901 2.422 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594482998 532510632 /nfs/dbraw/zinc/51/06/32/532510632.db2.gz HCWZLCONUNSFQZ-CABCVRRESA-N 1 0 386.901 2.422 20 0 GEADRO O=C(NCc1ccsc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000282987254 532510649 /nfs/dbraw/zinc/51/06/49/532510649.db2.gz FGPNVOMELUNYPW-GFCCVEGCSA-N 1 0 388.331 2.374 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000594484570 532511420 /nfs/dbraw/zinc/51/14/20/532511420.db2.gz VBJNEVSGTMPSDO-HZPDHXFCSA-N 1 0 386.901 2.422 20 0 GEADRO O=c1cc(C[N@H+]2CC[C@H](O)CC23CCC3)nc2ccc(Br)cn12 ZINC000563855639 532511843 /nfs/dbraw/zinc/51/18/43/532511843.db2.gz BWSHXWCSCGSWHU-AWEZNQCLSA-N 1 0 378.270 2.336 20 0 GEADRO CCOC(=O)c1csc([C@H]2CCCN2C(=O)N[C@H](C[NH3+])C(F)(F)F)n1 ZINC000594525256 532512180 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CC1(C)CN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000262078701 532583914 /nfs/dbraw/zinc/58/39/14/532583914.db2.gz SYMPQDJZICPYRM-DOMZBBRYSA-N 1 0 394.313 2.388 20 0 GEADRO Cc1nc(C(C)(C)C)sc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262075267 532584052 /nfs/dbraw/zinc/58/40/52/532584052.db2.gz SSIAZRHUROWUTR-LLVKDONJSA-N 1 0 378.464 2.315 20 0 GEADRO C[C@]1(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC[NH2+]C1 ZINC000262075197 532584334 /nfs/dbraw/zinc/58/43/34/532584334.db2.gz SLJQUQBGZHPBIK-INIZCTEOSA-N 1 0 392.352 2.299 20 0 GEADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000297363295 532584440 /nfs/dbraw/zinc/58/44/40/532584440.db2.gz FZHQZOIAYCINGJ-MRXNPFEDSA-N 1 0 390.267 2.208 20 0 GEADRO COc1sc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Br ZINC000262072715 532584538 /nfs/dbraw/zinc/58/45/38/532584538.db2.gz SEVIFGZUSZWOQM-LLVKDONJSA-N 1 0 390.347 2.339 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000262067166 532584844 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O=C(CCc1cc(Cl)ccc1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296527 532586384 /nfs/dbraw/zinc/58/63/84/532586384.db2.gz OSIULEJMXPUWNZ-UONOGXRCSA-N 1 0 387.705 2.313 20 0 GEADRO O=S(=O)(c1csc2ccc(Cl)cc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262169956 532587355 /nfs/dbraw/zinc/58/73/55/532587355.db2.gz APGKFSCKWMVJCQ-ZDUSSCGKSA-N 1 0 385.942 2.223 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)COc1ccc(Br)cc1Cl ZINC000473264363 532587563 /nfs/dbraw/zinc/58/75/63/532587563.db2.gz RVOUINSUQJULJW-OAHLLOKOSA-N 1 0 393.709 2.300 20 0 GEADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655432759 532588282 /nfs/dbraw/zinc/58/82/82/532588282.db2.gz GZJQGNADBFBEGB-CXAGYDPISA-N 1 0 390.285 2.240 20 0 GEADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000473298458 532588342 /nfs/dbraw/zinc/58/83/42/532588342.db2.gz CDLTVOGBVROXRG-OAHLLOKOSA-N 1 0 384.318 2.462 20 0 GEADRO CO[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1Br ZINC000655419342 532588376 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O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000376011802 532590158 /nfs/dbraw/zinc/59/01/58/532590158.db2.gz BHOZBDXKGCWYLU-LBPRGKRZSA-N 1 0 380.436 2.034 20 0 GEADRO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262344621 532590333 /nfs/dbraw/zinc/59/03/33/532590333.db2.gz TVUAXMGRQJFVAF-BRWVUGGUSA-N 1 0 378.314 2.059 20 0 GEADRO CCc1nc([C@@H](C)NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cs1 ZINC000284409258 532590484 /nfs/dbraw/zinc/59/04/84/532590484.db2.gz NOBHBFSVJJITGL-DGCLKSJQSA-N 1 0 380.539 2.363 20 0 GEADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262402560 532591733 /nfs/dbraw/zinc/59/17/33/532591733.db2.gz PRGWMMUSJWXPOO-YVEFUNNKSA-N 1 0 395.301 2.021 20 0 GEADRO CN(C)c1cccnc1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000566064163 532591705 /nfs/dbraw/zinc/59/17/05/532591705.db2.gz CIBVQALHGUZYJV-CQSZACIVSA-N 1 0 380.286 2.440 20 0 GEADRO Cn1cc([C@@H]2CN(CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]2[NH3+])cn1 ZINC000566096519 532592478 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CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000376064106 532594752 /nfs/dbraw/zinc/59/47/52/532594752.db2.gz BTEYALDXYGXCCH-GOEBONIOSA-N 1 0 387.933 2.218 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000262454177 532594994 /nfs/dbraw/zinc/59/49/94/532594994.db2.gz KPDZHHKWOZABRT-CHWSQXEVSA-N 1 0 382.302 2.225 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000250138272 532570959 /nfs/dbraw/zinc/57/09/59/532570959.db2.gz YMVMOUZYGSWRBK-RBSFLKMASA-N 1 0 384.567 2.465 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(Br)cc1 ZINC000250077498 532570985 /nfs/dbraw/zinc/57/09/85/532570985.db2.gz OSFXYOAABRMQLO-XZJROXQQSA-N 1 0 382.302 2.131 20 0 GEADRO CC[C@@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000251876576 532571299 /nfs/dbraw/zinc/57/12/99/532571299.db2.gz UWKYDLWKIFMTOH-IUODEOHRSA-N 1 0 375.332 2.282 20 0 GEADRO O=S(=O)(c1cnc2c(Br)csc2c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631970786 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377.279 2.351 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(Cl)cc(F)c1Br ZINC000284026495 532573244 /nfs/dbraw/zinc/57/32/44/532573244.db2.gz PBDLQFSEJBULHL-JTQLQIEISA-N 1 0 378.673 2.217 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000632017072 532574788 /nfs/dbraw/zinc/57/47/88/532574788.db2.gz MHHQFVPLTKZWLH-NSHDSACASA-N 1 0 394.360 2.153 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C[C@@H]1C ZINC000632018701 532575010 /nfs/dbraw/zinc/57/50/10/532575010.db2.gz HVULKYJRLQWIMF-QWHCGFSZSA-N 1 0 383.539 2.093 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000632031764 532575425 /nfs/dbraw/zinc/57/54/25/532575425.db2.gz NYCHBOZVXXWWKN-HZPDHXFCSA-N 1 0 381.533 2.005 20 0 GEADRO O=C(c1cc(O)cc(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000528614501 532575758 /nfs/dbraw/zinc/57/57/58/532575758.db2.gz YUXFUWPMOXTDGT-UHFFFAOYSA-N 1 0 383.286 2.339 20 0 GEADRO NC(=O)c1ncc(Br)cc1NCC[N@@H+]1CCc2sccc2C1 ZINC000472506365 532576151 /nfs/dbraw/zinc/57/61/51/532576151.db2.gz WPUMJGIIZIEVPC-UHFFFAOYSA-N 1 0 381.299 2.475 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000565764128 532576403 /nfs/dbraw/zinc/57/64/03/532576403.db2.gz QZAKRGPLRWEBMQ-CYBMUJFWSA-N 1 0 388.295 2.089 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1CC(C)(F)C1 ZINC000566121616 532595304 /nfs/dbraw/zinc/59/53/04/532595304.db2.gz LCJWJIGKDMKBST-UHFFFAOYSA-N 1 0 377.503 2.124 20 0 GEADRO COc1ccc(CN2CC[NH2+]C[C@@H]2c2nccn2C)c(Br)c1O ZINC000261686031 532576865 /nfs/dbraw/zinc/57/68/65/532576865.db2.gz APGRSHVEKFPEBB-GFCCVEGCSA-N 1 0 381.274 2.043 20 0 GEADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000261739279 532577244 /nfs/dbraw/zinc/57/72/44/532577244.db2.gz KKSUMVHGSPCOPG-GUYCJALGSA-N 1 0 388.917 2.115 20 0 GEADRO CC1([NH+]2CCOCC2)CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000528726822 532577712 /nfs/dbraw/zinc/57/77/12/532577712.db2.gz CXOAHDPEBQDIJV-INIZCTEOSA-N 1 0 396.329 2.162 20 0 GEADRO C[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000261743750 532578525 /nfs/dbraw/zinc/57/85/25/532578525.db2.gz KXIHJXLKBWCQLV-BXUZGUMPSA-N 1 0 387.265 2.302 20 0 GEADRO COCC1(CNC(=O)c2cccc(I)c2)CC[NH2+]CC1 ZINC000261756487 532578724 /nfs/dbraw/zinc/57/87/24/532578724.db2.gz NKDKPTNVGSORAO-UHFFFAOYSA-N 1 0 388.249 2.037 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)c1sc2c(c1I)CNC2 ZINC000595949509 532579009 /nfs/dbraw/zinc/57/90/09/532579009.db2.gz FSEHQQKDEPHDKV-UHFFFAOYSA-N 1 0 393.294 2.203 20 0 GEADRO C[C@]1(CO)C[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@]1(C)CO ZINC000528750653 532579238 /nfs/dbraw/zinc/57/92/38/532579238.db2.gz QSWNFURLVITFGU-RRQGHBQHSA-N 1 0 378.296 2.046 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1 ZINC000261982551 532579489 /nfs/dbraw/zinc/57/94/89/532579489.db2.gz MFAQZLFUUWORRS-GFCCVEGCSA-N 1 0 380.208 2.015 20 0 GEADRO [NH3+][C@H]1CCc2nc(NC(=O)CSc3ccc4c(c3)OCCO4)sc2C1 ZINC000565832060 532579500 /nfs/dbraw/zinc/57/95/00/532579500.db2.gz KIAAEJWIESGDKI-JTQLQIEISA-N 1 0 377.491 2.461 20 0 GEADRO C[C@]1(CO)C[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@]1(C)CO ZINC000528750658 532579710 /nfs/dbraw/zinc/57/97/10/532579710.db2.gz QSWNFURLVITFGU-XYPHTWIQSA-N 1 0 378.296 2.046 20 0 GEADRO COc1cc(Br)ccc1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261964202 532579833 /nfs/dbraw/zinc/57/98/33/532579833.db2.gz HOTKCDZIVBLHQD-HNNXBMFYSA-N 1 0 384.318 2.277 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cscc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000632124678 532580068 /nfs/dbraw/zinc/58/00/68/532580068.db2.gz LOPYUKPULCAYTL-LBPRGKRZSA-N 1 0 378.947 2.373 20 0 GEADRO O=C(NCCc1ccc(I)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000595948638 532580158 /nfs/dbraw/zinc/58/01/58/532580158.db2.gz SOAJKXNXRKYDNR-LSDHHAIUSA-N 1 0 384.261 2.481 20 0 GEADRO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000261973391 532580237 /nfs/dbraw/zinc/58/02/37/532580237.db2.gz BRCLRXZEAXHZBB-AAEUAGOBSA-N 1 0 382.555 2.496 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1Br ZINC000261960706 532580264 /nfs/dbraw/zinc/58/02/64/532580264.db2.gz KVSSHZMZQSBCFU-GFCCVEGCSA-N 1 0 398.198 2.154 20 0 GEADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000261993720 532580985 /nfs/dbraw/zinc/58/09/85/532580985.db2.gz ACPQKUMVUCTLAE-HUUCEWRRSA-N 1 0 386.279 2.301 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCC[C@@H]3CC[NH2+]C3)ccc2s1 ZINC000261988754 532581032 /nfs/dbraw/zinc/58/10/32/532581032.db2.gz DQSYBGXFXZSOKY-LBPRGKRZSA-N 1 0 382.507 2.356 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1C[C@@]13CC[NH2+]C3)C2 ZINC000595997043 532581695 /nfs/dbraw/zinc/58/16/95/532581695.db2.gz JWZKDVWDGGIHBZ-RFAUZJTJSA-N 1 0 385.283 2.139 20 0 GEADRO Ic1cnc(CNC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)s1 ZINC000375761246 532581675 /nfs/dbraw/zinc/58/16/75/532581675.db2.gz HGRRQEKPGUYGLO-GHMZBOCLSA-N 1 0 393.294 2.091 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000433854283 532581822 /nfs/dbraw/zinc/58/18/22/532581822.db2.gz NSKNIHAZKVAHEX-UHFFFAOYSA-N 1 0 398.320 2.371 20 0 GEADRO Cc1cc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000656326153 532614772 /nfs/dbraw/zinc/61/47/72/532614772.db2.gz BQBPPENYLSKSNL-DLBZAZTESA-N 1 0 396.329 2.498 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cc(Br)ccc1NC1CC1 ZINC000263263175 532622037 /nfs/dbraw/zinc/62/20/37/532622037.db2.gz UEKROYXPETWDLL-HNNXBMFYSA-N 1 0 383.290 2.061 20 0 GEADRO C[NH2+]C1CCN(Cc2cc(I)c(OC)c(OC)c2)CC1 ZINC000435376006 532614907 /nfs/dbraw/zinc/61/49/07/532614907.db2.gz XTJYOPCDTMEUIG-UHFFFAOYSA-N 1 0 390.265 2.492 20 0 GEADRO COc1ccc2nc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)sc2c1 ZINC000474372701 532614940 /nfs/dbraw/zinc/61/49/40/532614940.db2.gz PQLCKXVLOVGXHF-UHFFFAOYSA-N 1 0 377.491 2.285 20 0 GEADRO COc1cc(CN2CCC[NH2+]CC2)cc(I)c1OC ZINC000435391857 532615150 /nfs/dbraw/zinc/61/51/50/532615150.db2.gz YCMQQTHBMKVCHM-UHFFFAOYSA-N 1 0 376.238 2.104 20 0 GEADRO COc1cc(CN2CCC[C@@H]2C[NH3+])cc(I)c1OC ZINC000435380028 532615606 /nfs/dbraw/zinc/61/56/06/532615606.db2.gz PESRSEVPEGHIPV-LLVKDONJSA-N 1 0 376.238 2.232 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)NC2(c3cccc(Cl)c3)CCC2)CC1 ZINC000632503490 532617534 /nfs/dbraw/zinc/61/75/34/532617534.db2.gz FOTMREPAYKQXRN-UHFFFAOYSA-N 1 0 385.961 2.276 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000297999124 532617822 /nfs/dbraw/zinc/61/78/22/532617822.db2.gz VRUUTIMBOVXKPF-HNNXBMFYSA-N 1 0 396.329 2.208 20 0 GEADRO CN(CC[NH+]1CCCCC1)S(=O)(=O)Cc1ncsc1Br ZINC000632514592 532619142 /nfs/dbraw/zinc/61/91/42/532619142.db2.gz QOYXXQIQBPYACR-UHFFFAOYSA-N 1 0 382.349 2.153 20 0 GEADRO CC(C)(C)OC(=O)CNC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284767419 532619145 /nfs/dbraw/zinc/61/91/45/532619145.db2.gz MNEGVQVWVLKXGD-MRXNPFEDSA-N 1 0 398.301 2.343 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 ZINC000566608418 532619543 /nfs/dbraw/zinc/61/95/43/532619543.db2.gz KPBXLFPKVRASTL-VIFPVBQESA-N 1 0 394.191 2.227 20 0 GEADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)[C@@H]1C ZINC000474613214 532622255 /nfs/dbraw/zinc/62/22/55/532622255.db2.gz LSDLATLDYBHPTJ-DVOMOZLQSA-N 1 0 388.917 2.186 20 0 GEADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000284779203 532620249 /nfs/dbraw/zinc/62/02/49/532620249.db2.gz NVDXFDCKEFYNAC-UHFFFAOYSA-N 1 0 376.404 2.187 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000474569450 532620482 /nfs/dbraw/zinc/62/04/82/532620482.db2.gz AYNPCSZZNBQCHT-ZDUSSCGKSA-N 1 0 394.313 2.355 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000376124991 532596516 /nfs/dbraw/zinc/59/65/16/532596516.db2.gz AIMBSDWZYHQBGD-JKSUJKDBSA-N 1 0 375.897 2.359 20 0 GEADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000566163300 532596794 /nfs/dbraw/zinc/59/67/94/532596794.db2.gz JOONWQGZACRGFQ-DOTOQJQBSA-N 1 0 377.897 2.475 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000529380410 532597877 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375.288 2.019 20 0 GEADRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000434698363 532600521 /nfs/dbraw/zinc/60/05/21/532600521.db2.gz FFYAPSDTFXEJCG-KGLIPLIRSA-N 1 0 377.312 2.386 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262778552 532600692 /nfs/dbraw/zinc/60/06/92/532600692.db2.gz OKWZVOUHCNCEHA-MBNYWOFBSA-N 1 0 376.906 2.030 20 0 GEADRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000434734663 532600858 /nfs/dbraw/zinc/60/08/58/532600858.db2.gz XDRCFOLWCYFFGA-KRWDZBQOSA-N 1 0 397.313 2.179 20 0 GEADRO O=C(c1cc(Cl)cc(F)c1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000566188732 532600967 /nfs/dbraw/zinc/60/09/67/532600967.db2.gz KBQNUAZNSJBNMO-NSHDSACASA-N 1 0 390.684 2.361 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655910009 532602191 /nfs/dbraw/zinc/60/21/91/532602191.db2.gz KBPORWNFWDBJOB-LLVKDONJSA-N 1 0 384.196 2.359 20 0 GEADRO O=c1[nH]cc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000632331794 532602540 /nfs/dbraw/zinc/60/25/40/532602540.db2.gz BNKMQHQWUZCCAB-QGZVFWFLSA-N 1 0 379.507 2.135 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C(F)(F)F ZINC000655916947 532603033 /nfs/dbraw/zinc/60/30/33/532603033.db2.gz LEKODXRZHCZXQY-BXKDBHETSA-N 1 0 395.223 2.217 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1)C(F)(F)F ZINC000655916978 532603360 /nfs/dbraw/zinc/60/33/60/532603360.db2.gz LSCYQTSGNUEELV-SNVBAGLBSA-N 1 0 377.754 2.121 20 0 GEADRO Cc1c(NC(=O)C[C@@H]2CSCC[NH2+]2)cccc1C(=O)N1CCSCC1 ZINC000262832895 532603748 /nfs/dbraw/zinc/60/37/48/532603748.db2.gz VPCSXLFOLBMQER-CQSZACIVSA-N 1 0 379.551 2.218 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000376242183 532604019 /nfs/dbraw/zinc/60/40/19/532604019.db2.gz WOGXPIJEQCNTGI-UHFFFAOYSA-N 1 0 381.325 2.461 20 0 GEADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)C(F)(F)F ZINC000655921442 532604069 /nfs/dbraw/zinc/60/40/69/532604069.db2.gz XDDVDVDHHSKKJR-JQWIXIFHSA-N 1 0 378.782 2.024 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CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000566668756 532623705 /nfs/dbraw/zinc/62/37/05/532623705.db2.gz FTRRGNSKFASRIX-UHFFFAOYSA-N 1 0 398.345 2.347 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000474673584 532624588 /nfs/dbraw/zinc/62/45/88/532624588.db2.gz ONJKXJUPKYYHHH-CQSZACIVSA-N 1 0 385.306 2.007 20 0 GEADRO C[NH+](C)CC1CN(C(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000597706743 532624772 /nfs/dbraw/zinc/62/47/72/532624772.db2.gz YZSXHPHPIKNGLW-UHFFFAOYSA-N 1 0 384.261 2.343 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1ccc(Cl)cc1 ZINC000474711374 532625744 /nfs/dbraw/zinc/62/57/44/532625744.db2.gz HUJQEQMIYHAEAS-XGUBFFRZSA-N 1 0 386.945 2.361 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCC[C@H](CO)C1)c1cccc(Br)c1 ZINC000566736909 532625879 /nfs/dbraw/zinc/62/58/79/532625879.db2.gz BWVQKBPTSNJZKS-JSGCOSHPSA-N 1 0 376.316 2.364 20 0 GEADRO CO[C@@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)[C@@H](C[NH3+])C1 ZINC000566733142 532626001 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C[N@@H+]1CC[C@@H]2OCCN(Cc3nnc(-c4ccccc4Br)o3)[C@H]2C1 ZINC000284889381 532629249 /nfs/dbraw/zinc/62/92/49/532629249.db2.gz REDDFBZHKMKTNU-GJZGRUSLSA-N 1 0 393.285 2.404 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1csc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000298169502 532631354 /nfs/dbraw/zinc/63/13/54/532631354.db2.gz RCJIHZBVFHRDQP-CQSZACIVSA-N 1 0 384.567 2.208 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)NC[C@H]2CCC[N@H+]2C)ccc1Br ZINC000531246098 532631543 /nfs/dbraw/zinc/63/15/43/532631543.db2.gz GIKBEOOHDUFBFP-CYBMUJFWSA-N 1 0 383.290 2.089 20 0 GEADRO C[NH+](C)CCN(C(=O)C(=O)Nc1nc2c(s1)CSCC2)C1CCCC1 ZINC000376845258 532631896 /nfs/dbraw/zinc/63/18/96/532631896.db2.gz AJRWVQRWNLDUFN-UHFFFAOYSA-N 1 0 382.555 2.204 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000531244773 532632141 /nfs/dbraw/zinc/63/21/41/532632141.db2.gz ZDKPXHYRGAIGDH-GFCCVEGCSA-N 1 0 398.301 2.361 20 0 GEADRO O[C@@H](C[NH2+]CC1(N2CCOCC2)CC1)COc1ccc(Cl)cc1Cl ZINC000566968753 532633285 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CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000298245949 532637011 /nfs/dbraw/zinc/63/70/11/532637011.db2.gz CYKWTIIKRIMRLL-LBPRGKRZSA-N 1 0 388.331 2.022 20 0 GEADRO C[C@H](CNC(=O)C1(c2ccc(Br)cc2)CC1)N1CC[NH+](C)CC1 ZINC000263732786 532637580 /nfs/dbraw/zinc/63/75/80/532637580.db2.gz HBQKPBRXUPEKIW-CQSZACIVSA-N 1 0 380.330 2.233 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)c2nccn2c1 ZINC000632669583 532637759 /nfs/dbraw/zinc/63/77/59/532637759.db2.gz RFCRSZBNTBHZEW-GFCCVEGCSA-N 1 0 395.301 2.014 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCc1c(Cl)cccc1Cl)C1=CC[N@H+](C)CC1 ZINC000284988442 532638009 /nfs/dbraw/zinc/63/80/09/532638009.db2.gz LMKJPDXEWJVGHX-GFCCVEGCSA-N 1 0 384.307 2.419 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000263754709 532638440 /nfs/dbraw/zinc/63/84/40/532638440.db2.gz JJWPIRRVJQPJBK-KGLIPLIRSA-N 1 0 375.560 2.042 20 0 GEADRO COCC[NH+]1CCC(NC(=O)NCCc2ccccc2Br)CC1 ZINC000263750092 532639314 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20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000298921778 532684454 /nfs/dbraw/zinc/68/44/54/532684454.db2.gz ADTSBZXKOPWBAK-CQSZACIVSA-N 1 0 380.432 2.389 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000378226266 532685297 /nfs/dbraw/zinc/68/52/97/532685297.db2.gz NNHPRDHNTZUNPG-IJLUTSLNSA-N 1 0 394.324 2.261 20 0 GEADRO COc1cc(F)c(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000638219513 532685503 /nfs/dbraw/zinc/68/55/03/532685503.db2.gz KTGGRIPRGFHIPM-GFCCVEGCSA-N 1 0 383.773 2.054 20 0 GEADRO Fc1cc2ncnc(N3CC[C@@H](N4CC[NH2+]CC4)C3)c2cc1Br ZINC000663239249 532685469 /nfs/dbraw/zinc/68/54/69/532685469.db2.gz IMGFPPRMQHSMHP-LLVKDONJSA-N 1 0 380.265 2.015 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000638220297 532685553 /nfs/dbraw/zinc/68/55/53/532685553.db2.gz PFXXNHWTTUIKPM-MAUKXSAKSA-N 1 0 394.313 2.137 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000638207508 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C[C@H](c1ccncc1)N1CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638788648 532686960 /nfs/dbraw/zinc/68/69/60/532686960.db2.gz OBPORXUDQQHOBZ-CYBMUJFWSA-N 1 0 380.539 2.106 20 0 GEADRO O=C1[C@H](N2CCN([C@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000567889234 532669547 /nfs/dbraw/zinc/66/95/47/532669547.db2.gz DLXFRZDJYMBHJB-WMLDXEAASA-N 1 0 383.323 2.078 20 0 GEADRO CCN1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000660034608 532671924 /nfs/dbraw/zinc/67/19/24/532671924.db2.gz VDWCELQNLJULMC-GXTWGEPZSA-N 1 0 395.301 2.115 20 0 GEADRO CN(C)c1ncc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 ZINC000298765205 532672173 /nfs/dbraw/zinc/67/21/73/532672173.db2.gz XWIIKXVZGRIHSL-UHFFFAOYSA-N 1 0 380.539 2.283 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000264422803 532673680 /nfs/dbraw/zinc/67/36/80/532673680.db2.gz KLUIPLPKICJXGH-AWEZNQCLSA-N 1 0 380.330 2.233 20 0 GEADRO C[C@@H](CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)n1cc(Br)cn1 ZINC000638784150 532686646 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Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000264472106 532676832 /nfs/dbraw/zinc/67/68/32/532676832.db2.gz UPXCQBUOLASDMV-GJZGRUSLSA-N 1 0 398.345 2.277 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1Br ZINC000484328136 532676987 /nfs/dbraw/zinc/67/69/87/532676987.db2.gz OYQIFQPYDFOYPD-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CCn2cncc2C1 ZINC000378048955 532677226 /nfs/dbraw/zinc/67/72/26/532677226.db2.gz RENKEMSOJGUQOH-UHFFFAOYSA-N 1 0 383.633 2.280 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000568487789 532678354 /nfs/dbraw/zinc/67/83/54/532678354.db2.gz CNBBEHGWRWBETE-BDAKNGLRSA-N 1 0 388.212 2.019 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)cc21 ZINC000378061769 532678582 /nfs/dbraw/zinc/67/85/82/532678582.db2.gz TYOCFDNQQOXWAU-CQSZACIVSA-N 1 0 382.913 2.479 20 0 GEADRO C[C@H]1CN(C(=O)NCc2c(Br)cnn2C)CC[N@@H+](C2CCC2)C1 ZINC000637628799 532679090 /nfs/dbraw/zinc/67/90/90/532679090.db2.gz CIAHHFPKPDELJE-GFCCVEGCSA-N 1 0 384.322 2.198 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@H]1C ZINC000638100378 532679489 /nfs/dbraw/zinc/67/94/89/532679489.db2.gz LPIGYCPBRYFUJB-NEPJUHHUSA-N 1 0 390.347 2.011 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(Br)ccc1F ZINC000568532386 532679536 /nfs/dbraw/zinc/67/95/36/532679536.db2.gz GCYLZIUZSFKMKS-UHFFFAOYSA-N 1 0 377.279 2.480 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1Br ZINC000264836263 532680370 /nfs/dbraw/zinc/68/03/70/532680370.db2.gz GAPXLECSJSRIKI-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO CCSc1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000600707610 532680333 /nfs/dbraw/zinc/68/03/33/532680333.db2.gz CNFCAIBBSVNQPI-DOMZBBRYSA-N 1 0 384.343 2.305 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C1 ZINC000568595178 532681081 /nfs/dbraw/zinc/68/10/81/532681081.db2.gz QZWNYWBTUMODPJ-GUTXKFCHSA-N 1 0 385.555 2.386 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(I)ccc2O)C1 ZINC000439063233 532681521 /nfs/dbraw/zinc/68/15/21/532681521.db2.gz ZXPQLIRHSVHGEC-NSHDSACASA-N 1 0 388.249 2.459 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccncc3Br)C2)CC1 ZINC000378150979 532682598 /nfs/dbraw/zinc/68/25/98/532682598.db2.gz CTPXFYLLOBUPIM-AWEZNQCLSA-N 1 0 381.318 2.085 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638148921 532682654 /nfs/dbraw/zinc/68/26/54/532682654.db2.gz PEKAAUHJJLYPQW-XPKDYRNWSA-N 1 0 394.313 2.136 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000486612366 532691317 /nfs/dbraw/zinc/69/13/17/532691317.db2.gz QHSGRYQPZCCHPM-OLZOCXBDSA-N 1 0 377.535 2.445 20 0 GEADRO C[N@H+](CCc1cnccn1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439433908 532691953 /nfs/dbraw/zinc/69/19/53/532691953.db2.gz AGQWJCOLNBZNLD-OAHLLOKOSA-N 1 0 384.249 2.292 20 0 GEADRO COC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439449817 532693219 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GEADRO CN(CCO)Cc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1 ZINC000640762193 532697195 /nfs/dbraw/zinc/69/71/95/532697195.db2.gz NVQSJYDLYJGUSW-UHFFFAOYSA-N 1 0 392.674 2.301 20 0 GEADRO CC(C)n1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cn1 ZINC000569543859 532698218 /nfs/dbraw/zinc/69/82/18/532698218.db2.gz DJULEQLEPAATSU-UHFFFAOYSA-N 1 0 380.290 3.070 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](CS(C)(=O)=O)C1)CC(C)C ZINC000569524064 532698330 /nfs/dbraw/zinc/69/83/30/532698330.db2.gz IADADDTVPBGMJC-DLBZAZTESA-N 1 0 375.579 2.209 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000604389200 532699853 /nfs/dbraw/zinc/69/98/53/532699853.db2.gz VLIGPQWYZDMLHU-OAHLLOKOSA-N 1 0 396.329 2.390 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000604411272 532700173 /nfs/dbraw/zinc/70/01/73/532700173.db2.gz MBBSVQDZUHUQED-WMZOPIPTSA-N 1 0 375.579 2.222 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cnc1Br ZINC000378632226 532700400 /nfs/dbraw/zinc/70/04/00/532700400.db2.gz JYBCHAPZZQPBTL-GFCCVEGCSA-N 1 0 395.301 2.224 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000604408226 532700893 /nfs/dbraw/zinc/70/08/93/532700893.db2.gz FRPXVVUHNPOXLA-OAHLLOKOSA-N 1 0 392.352 2.394 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)[C@H]2C1 ZINC000285704862 532700867 /nfs/dbraw/zinc/70/08/67/532700867.db2.gz IYJSSEQTWQZSBY-LSDHHAIUSA-N 1 0 383.279 2.115 20 0 GEADRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(I)cc1 ZINC000537047112 532702649 /nfs/dbraw/zinc/70/26/49/532702649.db2.gz KULCQVRNYDGYNH-CQSZACIVSA-N 1 0 377.222 2.349 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000568992434 532687335 /nfs/dbraw/zinc/68/73/35/532687335.db2.gz JMCZJMJQZMQFNF-UHFFFAOYSA-N 1 0 389.327 2.274 20 0 GEADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000638768636 532687556 /nfs/dbraw/zinc/68/75/56/532687556.db2.gz DSZXAWKUPCDJLE-MGPQQGTHSA-N 1 0 385.302 2.226 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000535783622 532687900 /nfs/dbraw/zinc/68/79/00/532687900.db2.gz OGONMULQDKFIDK-ZDUSSCGKSA-N 1 0 378.277 2.172 20 0 GEADRO COC(=O)CC1([NH2+]Cc2csc(Br)c2)CCS(=O)(=O)CC1 ZINC000439263411 532688130 /nfs/dbraw/zinc/68/81/30/532688130.db2.gz RCQHPDYQYFNJOQ-UHFFFAOYSA-N 1 0 396.328 2.111 20 0 GEADRO CC(C)[C@](C)(CO)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000569158126 532688578 /nfs/dbraw/zinc/68/85/78/532688578.db2.gz GNDILPQSSIYHOH-KRWDZBQOSA-N 1 0 389.327 2.034 20 0 GEADRO C[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000569150004 532688884 /nfs/dbraw/zinc/68/88/84/532688884.db2.gz DOPBMIZTCHIGLI-SECBINFHSA-N 1 0 396.702 2.208 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(Br)ccc2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378311866 532689329 /nfs/dbraw/zinc/68/93/29/532689329.db2.gz QZERDNPSFLQKFS-BBRMVZONSA-N 1 0 396.329 2.253 20 0 GEADRO Cc1cc(C(=O)N2CCN(c3nc(C)nc(C)c3Br)[C@H](C)C2)[nH]n1 ZINC000663993288 532689374 /nfs/dbraw/zinc/68/93/74/532689374.db2.gz IIENMQDENVDXGN-SNVBAGLBSA-N 1 0 393.289 2.238 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3cc(Br)ccc3C2)n1 ZINC000569138559 532689452 /nfs/dbraw/zinc/68/94/52/532689452.db2.gz RVAKGHJPGIJHJN-UHFFFAOYSA-N 1 0 377.286 2.406 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1Cl ZINC000569148113 532689576 /nfs/dbraw/zinc/68/95/76/532689576.db2.gz FTPHBWMLSCLXKI-AWEZNQCLSA-N 1 0 375.922 2.099 20 0 GEADRO CSc1ccc([C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)N(C)C)cc1 ZINC000639212325 532690316 /nfs/dbraw/zinc/69/03/16/532690316.db2.gz CSNTXZRRPQWANL-GOSISDBHSA-N 1 0 379.551 2.448 20 0 GEADRO Cn1ncc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c(Br)c1=O ZINC000664364882 532690373 /nfs/dbraw/zinc/69/03/73/532690373.db2.gz UNHLJICVQBSLML-OAHLLOKOSA-N 1 0 391.313 2.296 20 0 GEADRO CC[C@](C)([NH3+])c1cn(CC(=O)Nc2ccc(I)cc2)nn1 ZINC000603163517 532690744 /nfs/dbraw/zinc/69/07/44/532690744.db2.gz OXAPGICLFDNAEG-AWEZNQCLSA-N 1 0 399.236 2.105 20 0 GEADRO O[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1cccc(F)c1 ZINC000639214656 532691094 /nfs/dbraw/zinc/69/10/94/532691094.db2.gz QTPPXMIMDDKVGG-OAHLLOKOSA-N 1 0 379.233 2.324 20 0 GEADRO CC[C@@](C)([NH3+])c1cn(CC(=O)Nc2cccc(I)c2)nn1 ZINC000384229575 532703550 /nfs/dbraw/zinc/70/35/50/532703550.db2.gz WNOJVYYBBZZBGD-CQSZACIVSA-N 1 0 399.236 2.105 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCSC[C@H]1CCO ZINC000537108840 532704138 /nfs/dbraw/zinc/70/41/38/532704138.db2.gz LYZKEXAKERQNDJ-HZPDHXFCSA-N 1 0 383.583 2.470 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc(Br)ccc2=O)C[C@H]1C ZINC000607121513 532704372 /nfs/dbraw/zinc/70/43/72/532704372.db2.gz LQWOYCQIFFFXOE-UKRRQHHQSA-N 1 0 384.318 2.332 20 0 GEADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000266196688 532706127 /nfs/dbraw/zinc/70/61/27/532706127.db2.gz JNIPHLLPFIUYFS-UHFFFAOYSA-N 1 0 376.320 2.385 20 0 GEADRO COCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)[C@H]1CCO[C@@H]1C ZINC000489488965 532706858 /nfs/dbraw/zinc/70/68/58/532706858.db2.gz VJCPTJBQKYQNDY-KMFMINBZSA-N 1 0 388.302 2.315 20 0 GEADRO OC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000391074524 532707077 /nfs/dbraw/zinc/70/70/77/532707077.db2.gz XGZRBCGBXGJPDS-DLBZAZTESA-N 1 0 380.282 2.382 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1C ZINC000266218279 532707743 /nfs/dbraw/zinc/70/77/43/532707743.db2.gz LBXCEXHVWPHWJE-RYUDHWBXSA-N 1 0 385.295 2.097 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000572638857 532708311 /nfs/dbraw/zinc/70/83/11/532708311.db2.gz DIKAVEZUFOPPOC-ZDUSSCGKSA-N 1 0 385.251 2.707 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000440339990 532709735 /nfs/dbraw/zinc/70/97/35/532709735.db2.gz KSUGFJZOGFTXNY-UHFFFAOYSA-N 1 0 377.304 2.126 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000393514851 532709799 /nfs/dbraw/zinc/70/97/99/532709799.db2.gz BGZYVKANPGEEIZ-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)C1 ZINC000440334606 532709960 /nfs/dbraw/zinc/70/99/60/532709960.db2.gz DTULXCUACOHFJY-LBPRGKRZSA-N 1 0 384.395 2.073 20 0 GEADRO C[S@](=O)C1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCC1 ZINC000393696977 532710303 /nfs/dbraw/zinc/71/03/03/532710303.db2.gz GKBNWWRRFUJCEU-ZSEKCTLFSA-N 1 0 376.316 2.080 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000573267061 532710435 /nfs/dbraw/zinc/71/04/35/532710435.db2.gz YTKGBZNZQKVVNE-OAHLLOKOSA-N 1 0 394.313 2.070 20 0 GEADRO Brc1cncc(Br)c1C[NH2+]CCCn1ccnn1 ZINC000394573157 532710538 /nfs/dbraw/zinc/71/05/38/532710538.db2.gz PHAOBTJQQXTGNC-UHFFFAOYSA-N 1 0 375.068 2.378 20 0 GEADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000440337586 532710624 /nfs/dbraw/zinc/71/06/24/532710624.db2.gz HNSVHBBIICESJY-QMMMGPOBSA-N 1 0 387.221 2.450 20 0 GEADRO COCCN(Cc1sccc1Br)C[C@H](O)C[N@H+](C)C1CC1 ZINC000573251473 532710797 /nfs/dbraw/zinc/71/07/97/532710797.db2.gz NXHBWGUCVHVRDG-CYBMUJFWSA-N 1 0 377.348 2.414 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2cn(-c3cccc(Cl)c3F)nn2)CCSC1 ZINC000538461251 532710950 /nfs/dbraw/zinc/71/09/50/532710950.db2.gz JKPNTEMWSUOALA-MRXNPFEDSA-N 1 0 383.880 2.227 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000440337742 532711020 /nfs/dbraw/zinc/71/10/20/532711020.db2.gz HXAPXKJBUNSRMZ-NSHDSACASA-N 1 0 377.304 2.044 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000573783509 532711484 /nfs/dbraw/zinc/71/14/84/532711484.db2.gz BZNVUJHZRIUQQY-SECBINFHSA-N 1 0 382.287 2.793 20 0 GEADRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000395235259 532711622 /nfs/dbraw/zinc/71/16/22/532711622.db2.gz WYUFGWQWUADPTK-RISCZKNCSA-N 1 0 388.249 2.323 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000440355605 532712499 /nfs/dbraw/zinc/71/24/99/532712499.db2.gz MOGDMPAZCARFCT-GXSJLCMTSA-N 1 0 377.869 2.104 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000538675828 532714136 /nfs/dbraw/zinc/71/41/36/532714136.db2.gz RDNVOEVVRXBFJK-GFCCVEGCSA-N 1 0 381.420 2.033 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000440438073 532714646 /nfs/dbraw/zinc/71/46/46/532714646.db2.gz YBPLXCMFLRDMME-GZMMTYOYSA-N 1 0 397.722 2.469 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000574592633 532715512 /nfs/dbraw/zinc/71/55/12/532715512.db2.gz UVJMCCVNCHKGBI-LBPRGKRZSA-N 1 0 395.301 2.021 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CSCc2ccc(Cl)cc2)C1 ZINC000608867252 532715555 /nfs/dbraw/zinc/71/55/55/532715555.db2.gz LNLGTUUUNLCGQH-HNNXBMFYSA-N 1 0 383.945 2.277 20 0 GEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000440517278 532715717 /nfs/dbraw/zinc/71/57/17/532715717.db2.gz SDFOGQOJXBWEQI-SFHVURJKSA-N 1 0 390.281 2.211 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000285873235 532715756 /nfs/dbraw/zinc/71/57/56/532715756.db2.gz VZXPVWNKXSCJKF-UHFFFAOYSA-N 1 0 395.301 2.016 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)c(=O)n(C)c1=O ZINC000494294482 532715826 /nfs/dbraw/zinc/71/58/26/532715826.db2.gz ZUJNDBGACUZQGN-OAHLLOKOSA-N 1 0 392.297 2.260 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000408300112 532716133 /nfs/dbraw/zinc/71/61/33/532716133.db2.gz XTOYDYVQRZFKFW-UONOGXRCSA-N 1 0 389.315 2.363 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000299467385 532718457 /nfs/dbraw/zinc/71/84/57/532718457.db2.gz XZPPWXULZWEVDA-UONOGXRCSA-N 1 0 384.318 2.165 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000408300110 532716394 /nfs/dbraw/zinc/71/63/94/532716394.db2.gz XTOYDYVQRZFKFW-KGLIPLIRSA-N 1 0 389.315 2.363 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC[C@@H]21 ZINC000299449950 532716455 /nfs/dbraw/zinc/71/64/55/532716455.db2.gz ZAJIAKAAHNVNLH-YGRLFVJLSA-N 1 0 385.295 2.457 20 0 GEADRO C[NH+](C)CCN1CCC(NC(=O)NCCc2ccccc2Br)CC1 ZINC000299431549 532716720 /nfs/dbraw/zinc/71/67/20/532716720.db2.gz MTAORZDDWVEDFB-UHFFFAOYSA-N 1 0 397.361 2.317 20 0 GEADRO CC(=O)NC1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000575052523 532717196 /nfs/dbraw/zinc/71/71/96/532717196.db2.gz AEDBOIMOYPJNQB-GPANFISMSA-N 1 0 385.302 2.226 20 0 GEADRO COc1cc(CN2CC[N@H+](C)C[C@@H]2C)cc(I)c1OC ZINC000538730048 532717244 /nfs/dbraw/zinc/71/72/44/532717244.db2.gz AMRRDGQPWIHSNP-NSHDSACASA-N 1 0 390.265 2.444 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000670497097 532717574 /nfs/dbraw/zinc/71/75/74/532717574.db2.gz VWZKVVXLFBXEOU-GFCCVEGCSA-N 1 0 386.323 2.499 20 0 GEADRO C[C@H](NS(=O)(=O)c1cc(N(C)C)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000497355007 532721999 /nfs/dbraw/zinc/72/19/99/532721999.db2.gz PSDWUKLZHOHYCB-NWDGAFQWSA-N 1 0 390.347 2.182 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H](C[NH3+])C1 ZINC000440855621 532723399 /nfs/dbraw/zinc/72/33/99/532723399.db2.gz GFFAGJQOUSFOAB-MNOVXSKESA-N 1 0 386.823 2.486 20 0 GEADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(C)c(Br)cc2C)[C@H](C[NH3+])C1 ZINC000440858624 532723590 /nfs/dbraw/zinc/72/35/90/532723590.db2.gz LJUYQOYJUUMOAX-QWHCGFSZSA-N 1 0 391.331 2.193 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCOc2cc(Br)ccc2C1 ZINC000612997209 532723988 /nfs/dbraw/zinc/72/39/88/532723988.db2.gz VMMZMISKPBUWIE-HNNXBMFYSA-N 1 0 380.286 2.495 20 0 GEADRO O=S(=O)(CCN1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(Br)c1 ZINC000576160806 532724175 /nfs/dbraw/zinc/72/41/75/532724175.db2.gz ZXTDXUYVBYDOAC-INIZCTEOSA-N 1 0 387.343 2.298 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N(CCO)Cc1cc(Br)cs1 ZINC000612986549 532724194 /nfs/dbraw/zinc/72/41/94/532724194.db2.gz PQDVQFFCJMBLPB-ZDUSSCGKSA-N 1 0 388.331 2.157 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612972512 532724546 /nfs/dbraw/zinc/72/45/46/532724546.db2.gz YKIOHPXDLBLCBH-CQSZACIVSA-N 1 0 396.285 2.162 20 0 GEADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CC[S@](=O)c2ccccc2)CC1 ZINC000576143122 532724962 /nfs/dbraw/zinc/72/49/62/532724962.db2.gz MTRILDNPAOOKKO-GYCJOSAFSA-N 1 0 386.583 2.176 20 0 GEADRO O=C1CC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)[C@H](C2CC2)N1 ZINC000576152330 532725070 /nfs/dbraw/zinc/72/50/70/532725070.db2.gz AYXATBAQYWUIRV-YOEHRIQHSA-N 1 0 390.285 2.177 20 0 GEADRO COC[C@@]1(CNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)CCC[NH2+]1 ZINC000576148080 532725345 /nfs/dbraw/zinc/72/53/45/532725345.db2.gz ALIVGJVNTNTYJY-BZNIZROVSA-N 1 0 389.265 2.240 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000299545638 532725999 /nfs/dbraw/zinc/72/59/99/532725999.db2.gz ASZZCYAMFIGOGF-HIFRSBDPSA-N 1 0 396.285 2.139 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)CCc1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000286032179 532726226 /nfs/dbraw/zinc/72/62/26/532726226.db2.gz PXPHLEUWSPSRIQ-GOSISDBHSA-N 1 0 387.977 2.074 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C)C[NH+](C)C ZINC000672516906 532726312 /nfs/dbraw/zinc/72/63/12/532726312.db2.gz GFUXKGWEHCJFTB-SWLSCSKDSA-N 1 0 384.318 2.270 20 0 GEADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000539215397 532727181 /nfs/dbraw/zinc/72/71/81/532727181.db2.gz HNDWOAZYDSQQPV-GFCCVEGCSA-N 1 0 381.885 2.068 20 0 GEADRO C[C@H](Oc1ccc(I)cc1)C(=O)N(C)CC[NH+](C)C ZINC000409786318 532727368 /nfs/dbraw/zinc/72/73/68/532727368.db2.gz ASWFESCCTFAWQP-NSHDSACASA-N 1 0 376.238 2.079 20 0 GEADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)cc(Br)c1F ZINC000576202447 532727408 /nfs/dbraw/zinc/72/74/08/532727408.db2.gz AZDJQFXMQDYAJB-VIFPVBQESA-N 1 0 388.237 2.448 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000299571096 532727588 /nfs/dbraw/zinc/72/75/88/532727588.db2.gz UCRJODZDNVBNCF-TZMCWYRMSA-N 1 0 395.301 2.115 20 0 GEADRO CC[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1nc(C(F)(F)F)cs1 ZINC000266847281 532727610 /nfs/dbraw/zinc/72/76/10/532727610.db2.gz PSRRNTXRFHDZHE-QWRGUYRKSA-N 1 0 379.452 2.158 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CCCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000299569368 532727647 /nfs/dbraw/zinc/72/76/47/532727647.db2.gz BHDJBYDXMMGLBS-INIZCTEOSA-N 1 0 386.583 2.428 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc(=O)[nH]n1 ZINC000286087272 532727826 /nfs/dbraw/zinc/72/78/26/532727826.db2.gz MPANOAPVIJWXAT-GFCCVEGCSA-N 1 0 393.285 2.232 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000672698486 532729080 /nfs/dbraw/zinc/72/90/80/532729080.db2.gz QZQCPNOJASUBFO-GXTWGEPZSA-N 1 0 397.317 2.012 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)COc1ccc(I)cc1 ZINC000539415623 532729028 /nfs/dbraw/zinc/72/90/28/532729028.db2.gz FIALDOJRRJREOH-UHFFFAOYSA-N 1 0 376.238 2.080 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000576766691 532729122 /nfs/dbraw/zinc/72/91/22/532729122.db2.gz UIZZLIXVTUFKSY-CYBMUJFWSA-N 1 0 385.917 2.405 20 0 GEADRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)Nc1cccc(I)c1 ZINC000286112343 532730023 /nfs/dbraw/zinc/73/00/23/532730023.db2.gz LRDOFUAAMLVNNQ-FZMZJTMJSA-N 1 0 388.249 2.370 20 0 GEADRO CCCN(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000539460288 532730356 /nfs/dbraw/zinc/73/03/56/532730356.db2.gz VWWYDVJVTOJWTN-IAGOWNOFSA-N 1 0 375.579 2.352 20 0 GEADRO Cc1ccc(Br)cc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000577055067 532730776 /nfs/dbraw/zinc/73/07/76/532730776.db2.gz SQGGVIJACNLQLH-WBVHZDCISA-N 1 0 394.313 2.134 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000500004224 532730956 /nfs/dbraw/zinc/73/09/56/532730956.db2.gz HVFOKZKDXVLZJS-UHFFFAOYSA-N 1 0 377.819 2.427 20 0 GEADRO Cc1ccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Br)c1 ZINC000286145589 532731124 /nfs/dbraw/zinc/73/11/24/532731124.db2.gz PRERHSSEXVUPLQ-ZDUSSCGKSA-N 1 0 394.235 2.323 20 0 GEADRO COC[C@](C)(CO)[NH2+]CCCOc1cccc(I)c1 ZINC000613621285 532731472 /nfs/dbraw/zinc/73/14/72/532731472.db2.gz RKJKAIKCFUJQSQ-AWEZNQCLSA-N 1 0 379.238 2.047 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000575228444 532718773 /nfs/dbraw/zinc/71/87/73/532718773.db2.gz FSEWCVLIVAPEBR-UHFFFAOYSA-N 1 0 381.318 2.225 20 0 GEADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000495310978 532719424 /nfs/dbraw/zinc/71/94/24/532719424.db2.gz ZHYHTXPKSQCMST-CYBMUJFWSA-N 1 0 385.306 2.408 20 0 GEADRO C[C@H]1C[NH+](C(C)(C)CNc2ncnc3c2c(Br)nn3C)C[C@H](C)O1 ZINC000301147909 532742291 /nfs/dbraw/zinc/74/22/91/532742291.db2.gz HXXQNHJMASJRDW-QWRGUYRKSA-N 1 0 397.321 2.426 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000676356092 532742614 /nfs/dbraw/zinc/74/26/14/532742614.db2.gz IUUQPEUKLGRBHL-ZDUSSCGKSA-N 1 0 398.301 2.385 20 0 GEADRO Cc1cc(CNC(=O)NC2CC[NH+](C)CC2)ccc1I ZINC000540700288 532743311 /nfs/dbraw/zinc/74/33/11/532743311.db2.gz LXUTWBMMLZIDAK-UHFFFAOYSA-N 1 0 387.265 2.493 20 0 GEADRO O=S(=O)(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000443234314 532743419 /nfs/dbraw/zinc/74/34/19/532743419.db2.gz FUDRGGVIGNEWTD-SFHVURJKSA-N 1 0 380.897 2.255 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000503234928 532744641 /nfs/dbraw/zinc/74/46/41/532744641.db2.gz VYXLRPOOXMBTDW-UONOGXRCSA-N 1 0 398.472 2.294 20 0 GEADRO Cc1nnc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)[nH]1 ZINC000540864742 532746517 /nfs/dbraw/zinc/74/65/17/532746517.db2.gz PFHJSTANGRNBJV-UKRRQHHQSA-N 1 0 395.301 2.495 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615515449 532746911 /nfs/dbraw/zinc/74/69/11/532746911.db2.gz MNOJRERPNDHVGS-MRXNPFEDSA-N 1 0 396.329 2.224 20 0 GEADRO [NH3+]CCC1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000580443686 532747106 /nfs/dbraw/zinc/74/71/06/532747106.db2.gz IVDAXQZGZRHRQS-MRXNPFEDSA-N 1 0 381.929 2.443 20 0 GEADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1csc(S(N)(=O)=O)c1)[NH+](C)C ZINC000443406645 532747184 /nfs/dbraw/zinc/74/71/84/532747184.db2.gz MXJCYTXRCKVWIH-MLGOLLRUSA-N 1 0 381.523 2.125 20 0 GEADRO C[C@H](NC(=O)c1cc(Br)cc2ccccc21)C(=O)NCC[NH+](C)C ZINC000580449646 532747231 /nfs/dbraw/zinc/74/72/31/532747231.db2.gz WEYINUWYFVWGHX-LBPRGKRZSA-N 1 0 392.297 2.398 20 0 GEADRO C[NH+](C)CC1CN(C(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000615504185 532747397 /nfs/dbraw/zinc/74/73/97/532747397.db2.gz PRFVVOZOCWASLD-KRWDZBQOSA-N 1 0 386.323 2.387 20 0 GEADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000577098800 532733236 /nfs/dbraw/zinc/73/32/36/532733236.db2.gz IYEFCCWRKKQHEB-ZBFHGGJFSA-N 1 0 385.302 2.037 20 0 GEADRO CC[NH+](CC)CCN(C(=O)Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000299671734 532734149 /nfs/dbraw/zinc/73/41/49/532734149.db2.gz SFYDVVZLBVXEAG-MRXNPFEDSA-N 1 0 386.945 2.240 20 0 GEADRO O=C(Cc1cccc(Br)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000299676857 532734259 /nfs/dbraw/zinc/73/42/59/532734259.db2.gz UZGWPJJJZHCVKQ-UHFFFAOYSA-N 1 0 380.330 2.232 20 0 GEADRO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@H](C)CS(=O)(=O)CC ZINC000500788227 532735400 /nfs/dbraw/zinc/73/54/00/532735400.db2.gz ZBNINAWBIRGOFP-IAGOWNOFSA-N 1 0 375.579 2.496 20 0 GEADRO CCS(=O)(=O)Nc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000267158768 532735415 /nfs/dbraw/zinc/73/54/15/532735415.db2.gz IWUMBGBQWXOJTF-INIZCTEOSA-N 1 0 386.543 2.007 20 0 GEADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2sccc2Br)CCSC1 ZINC000267155445 532735486 /nfs/dbraw/zinc/73/54/86/532735486.db2.gz IETPVKJJXBDAGP-LLVKDONJSA-N 1 0 385.374 2.226 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NCCCCCCC[NH+]2CCCC2)c1 ZINC000267165057 532736075 /nfs/dbraw/zinc/73/60/75/532736075.db2.gz ROOIXSCKJCBAEK-UHFFFAOYSA-N 1 0 387.571 2.432 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000267163585 532736940 /nfs/dbraw/zinc/73/69/40/532736940.db2.gz RCXUGGZNXQCWBG-UHFFFAOYSA-N 1 0 385.555 2.041 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2c(Br)cccc2cn1 ZINC000614503622 532738169 /nfs/dbraw/zinc/73/81/69/532738169.db2.gz NLZCQEIJUSWRIQ-CQSZACIVSA-N 1 0 389.297 2.117 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1c[nH]c2cccc(Br)c12 ZINC000614502736 532738585 /nfs/dbraw/zinc/73/85/85/532738585.db2.gz MBKXQBCRUCPGDC-LBPRGKRZSA-N 1 0 377.286 2.050 20 0 GEADRO CNC(=O)C[NH+]1CCC(Nc2ccnc3c(Br)ccc(F)c23)CC1 ZINC000443518192 532748123 /nfs/dbraw/zinc/74/81/23/532748123.db2.gz LCQDJHDMOKSTHZ-UHFFFAOYSA-N 1 0 395.276 2.181 20 0 GEADRO Cc1ccc(CCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000614504467 532739268 /nfs/dbraw/zinc/73/92/68/532739268.db2.gz WIQPNVJNVZJVDH-MRXNPFEDSA-N 1 0 380.330 2.196 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(I)ccc1O ZINC000300412277 532739428 /nfs/dbraw/zinc/73/94/28/532739428.db2.gz NIGZBXVJDCLFPV-CHWSQXEVSA-N 1 0 386.233 2.353 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000301113377 532740395 /nfs/dbraw/zinc/74/03/95/532740395.db2.gz NVPOWXJZWYQPRC-CYBMUJFWSA-N 1 0 376.810 2.497 20 0 GEADRO O=C(c1cn2ccc(Br)cc2n1)N1CC[NH+](C2CCOCC2)CC1 ZINC000286325103 532740384 /nfs/dbraw/zinc/74/03/84/532740384.db2.gz YCTRYFUWNFLDOG-UHFFFAOYSA-N 1 0 393.285 2.034 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000502816517 532740793 /nfs/dbraw/zinc/74/07/93/532740793.db2.gz YSBUGKSVRVOUDU-LBPRGKRZSA-N 1 0 398.301 2.456 20 0 GEADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000675820267 532741211 /nfs/dbraw/zinc/74/12/11/532741211.db2.gz ZFGRLPKQLJHQGG-HNNXBMFYSA-N 1 0 389.974 2.044 20 0 GEADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000675819320 532741295 /nfs/dbraw/zinc/74/12/95/532741295.db2.gz LPMOGJOMVHJNAP-LBPRGKRZSA-N 1 0 380.341 2.221 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC000268072447 532754560 /nfs/dbraw/zinc/75/45/60/532754560.db2.gz WRRBEDKSXWDOGD-BFQNTYOBSA-N 1 0 390.311 2.435 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000581368542 532755814 /nfs/dbraw/zinc/75/58/14/532755814.db2.gz OHYIGSBGUJKINU-SMDDNHRTSA-N 1 0 393.285 2.241 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000268101610 532756166 /nfs/dbraw/zinc/75/61/66/532756166.db2.gz IBNFESVPDLYSIH-KBPBESRZSA-N 1 0 394.313 2.355 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1nc2ncc(Br)cn2n1 ZINC000618659114 532757398 /nfs/dbraw/zinc/75/73/98/532757398.db2.gz DHKNOTJLYNAJKS-GFCCVEGCSA-N 1 0 393.289 2.024 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618661515 532757649 /nfs/dbraw/zinc/75/76/49/532757649.db2.gz RJLDCTSUWWKAEB-CYBMUJFWSA-N 1 0 385.555 2.135 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000541829002 532759488 /nfs/dbraw/zinc/75/94/88/532759488.db2.gz OYHWQYKQZNRREH-UHFFFAOYSA-N 1 0 386.411 2.481 20 0 GEADRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000286644297 532760034 /nfs/dbraw/zinc/76/00/34/532760034.db2.gz DHVCQZQWMDKBEW-WCQYABFASA-N 1 0 393.285 2.261 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000582605128 532760684 /nfs/dbraw/zinc/76/06/84/532760684.db2.gz CNVVEGVDOAOLJM-KBPBESRZSA-N 1 0 394.313 2.450 20 0 GEADRO CCNC(=O)N1CC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000582781032 532761326 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2.365 20 0 GEADRO CSc1cc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)ccc1Cl ZINC000411149796 532749059 /nfs/dbraw/zinc/74/90/59/532749059.db2.gz XEBJZIDHOBSUPA-UHFFFAOYSA-N 1 0 385.917 2.229 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(I)cc1 ZINC000504628590 532749901 /nfs/dbraw/zinc/74/99/01/532749901.db2.gz LFUFGUZEBJORMH-UHFFFAOYSA-N 1 0 391.253 2.381 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cc(F)c1Br ZINC000411249695 532751192 /nfs/dbraw/zinc/75/11/92/532751192.db2.gz WXRMKGPTAKBNJR-UHFFFAOYSA-N 1 0 386.265 2.293 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000580996449 532751535 /nfs/dbraw/zinc/75/15/35/532751535.db2.gz DVKBBOQHZMSMDB-UHFFFAOYSA-N 1 0 375.922 2.097 20 0 GEADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)C[C@H]1c1cccc(F)c1 ZINC000581014219 532752673 /nfs/dbraw/zinc/75/26/73/532752673.db2.gz RLGOBJMHSDRBOD-LSDHHAIUSA-N 1 0 393.260 2.348 20 0 GEADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C(C)(C)C ZINC000541389225 532752742 /nfs/dbraw/zinc/75/27/42/532752742.db2.gz FYVMBATVZQQEQX-AWEZNQCLSA-N 1 0 375.922 2.084 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(C)c1F ZINC000445749919 532753721 /nfs/dbraw/zinc/75/37/21/532753721.db2.gz JCYPAKQIBLUUPY-DZGCQCFKSA-N 1 0 388.530 2.343 20 0 GEADRO O=C(COc1cccc(I)c1)NCC[N@H+]1CC=CCC1 ZINC000506767959 532753893 /nfs/dbraw/zinc/75/38/93/532753893.db2.gz SPNCCGUUGRAWMY-UHFFFAOYSA-N 1 0 386.233 2.048 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000302833412 532775231 /nfs/dbraw/zinc/77/52/31/532775231.db2.gz SIRAIQFTKODZKM-ZDUSSCGKSA-N 1 0 387.709 2.240 20 0 GEADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000269018078 532775454 /nfs/dbraw/zinc/77/54/54/532775454.db2.gz PDOLVGWMRAUWHY-SFHVURJKSA-N 1 0 385.961 2.318 20 0 GEADRO COc1cc(NC(=O)CC[N@@H+]2CC[C@](O)(C(F)F)C2)c(OC)cc1Cl ZINC000411796053 532775597 /nfs/dbraw/zinc/77/55/97/532775597.db2.gz KLRGYQIABSUCFA-MRXNPFEDSA-N 1 0 378.803 2.388 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(I)cc2)n1 ZINC000302988444 532775888 /nfs/dbraw/zinc/77/58/88/532775888.db2.gz FMMASLMIQPYYNW-UHFFFAOYSA-N 1 0 384.221 2.302 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000269168751 532776890 /nfs/dbraw/zinc/77/68/90/532776890.db2.gz GXOXJBHSXZPQHH-LBPRGKRZSA-N 1 0 387.933 2.146 20 0 GEADRO C[C@@H](NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000269246398 532777237 /nfs/dbraw/zinc/77/72/37/532777237.db2.gz YLBSTUXDZJEFPJ-YPMHNXCESA-N 1 0 379.917 2.392 20 0 GEADRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1 ZINC000309789196 532777471 /nfs/dbraw/zinc/77/74/71/532777471.db2.gz FPEDCVCOLDLDND-UHFFFAOYSA-N 1 0 384.299 2.384 20 0 GEADRO CC[C@H](CSC)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000286999281 532778162 /nfs/dbraw/zinc/77/81/62/532778162.db2.gz IOOVIBLTPYVLHU-HUUCEWRRSA-N 1 0 383.583 2.334 20 0 GEADRO O=S(=O)(NCCC[NH2+]C[C@H]1CCSC1)c1ccccc1Br ZINC000512892442 532778598 /nfs/dbraw/zinc/77/85/98/532778598.db2.gz VYBQTEMWTJQNCW-GFCCVEGCSA-N 1 0 393.372 2.460 20 0 GEADRO O=C(CN1CC[NH2+]C[C@H]1c1ccccc1)Nc1ccc(Br)cn1 ZINC000313374625 532778882 /nfs/dbraw/zinc/77/88/82/532778882.db2.gz WQPDUDYRWWNQFC-HNNXBMFYSA-N 1 0 375.270 2.429 20 0 GEADRO COc1cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc(Br)c1O ZINC000512894528 532779170 /nfs/dbraw/zinc/77/91/70/532779170.db2.gz KEHNEJDKXQIPFO-SECBINFHSA-N 1 0 378.288 2.219 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620484663 532763521 /nfs/dbraw/zinc/76/35/21/532763521.db2.gz MNIHDHCCRWMDIX-UKRRQHHQSA-N 1 0 397.313 2.274 20 0 GEADRO O[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)Cn1cccn1 ZINC000583075831 532764250 /nfs/dbraw/zinc/76/42/50/532764250.db2.gz CIHKRZGMMRKPOV-INIZCTEOSA-N 1 0 380.286 2.302 20 0 GEADRO C[NH+](C)CCc1ccc(CNC(=O)NCCn2cc(Br)cn2)cc1 ZINC000286725359 532764982 /nfs/dbraw/zinc/76/49/82/532764982.db2.gz GSPAVSQBRMCQIS-UHFFFAOYSA-N 1 0 394.317 2.249 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)COC(C)C)C2=O)ccc1Br ZINC000583748586 532766070 /nfs/dbraw/zinc/76/60/70/532766070.db2.gz MUXBHAFIQLOTAU-ZBFHGGJFSA-N 1 0 385.302 2.238 20 0 GEADRO O=C(NCc1cc(F)cc(Br)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000583747226 532766775 /nfs/dbraw/zinc/76/67/75/532766775.db2.gz QXWKGNWQDTVDON-ZDUSSCGKSA-N 1 0 382.237 2.034 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000584222257 532767076 /nfs/dbraw/zinc/76/70/76/532767076.db2.gz MLKXZNAFYRTYPE-UHFFFAOYSA-N 1 0 388.281 2.051 20 0 GEADRO CSc1cccc(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000509375828 532767419 /nfs/dbraw/zinc/76/74/19/532767419.db2.gz MKHHTHNOIAWIQS-INIZCTEOSA-N 1 0 383.583 2.199 20 0 GEADRO NC(=O)c1c[nH+]ccc1NCCCNC(=O)c1cccc(Br)c1 ZINC000302220175 532768300 /nfs/dbraw/zinc/76/83/00/532768300.db2.gz LZBWWXYCHHHEKJ-UHFFFAOYSA-N 1 0 377.242 2.175 20 0 GEADRO CN(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000509402130 532768484 /nfs/dbraw/zinc/76/84/84/532768484.db2.gz PNCPSTKPZWYTFC-UHFFFAOYSA-N 1 0 392.909 2.070 20 0 GEADRO COCC[NH2+]C1CCN([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000584535029 532768577 /nfs/dbraw/zinc/76/85/77/532768577.db2.gz NTXSMSFLCOJDNV-CYBMUJFWSA-N 1 0 384.318 2.477 20 0 GEADRO NC(=O)c1c[nH+]ccc1NCCCNC(=O)c1ccc(Br)cc1 ZINC000302243492 532769104 /nfs/dbraw/zinc/76/91/04/532769104.db2.gz YYSVSCMOUWKOEB-UHFFFAOYSA-N 1 0 377.242 2.175 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc(I)cc3)C[C@H]21 ZINC000584529913 532769108 /nfs/dbraw/zinc/76/91/08/532769108.db2.gz FFFIQNJNFYOYMI-KCPJHIHWSA-N 1 0 399.276 2.289 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000509448656 532771084 /nfs/dbraw/zinc/77/10/84/532771084.db2.gz LLRSTYIICBAYGO-GJZGRUSLSA-N 1 0 398.345 2.311 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000268805763 532771156 /nfs/dbraw/zinc/77/11/56/532771156.db2.gz IYUDCTMQVJMPML-KRWDZBQOSA-N 1 0 396.329 2.417 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000268815590 532771650 /nfs/dbraw/zinc/77/16/50/532771650.db2.gz MHENBOODNKOQDE-QGZVFWFLSA-N 1 0 396.329 2.417 20 0 GEADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)CN1CCOCC1 ZINC000268993194 532774489 /nfs/dbraw/zinc/77/44/89/532774489.db2.gz HKBQNRXIXCKGNN-KBPBESRZSA-N 1 0 376.469 2.302 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(Br)cs2)[C@H](C)C1 ZINC000287078796 532782788 /nfs/dbraw/zinc/78/27/88/532782788.db2.gz IHFFACKGHJLBSQ-MNOVXSKESA-N 1 0 376.320 2.107 20 0 GEADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000316110865 532783254 /nfs/dbraw/zinc/78/32/54/532783254.db2.gz OJRXPAMDXDDLAX-UHFFFAOYSA-N 1 0 386.732 2.173 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411995188 532783382 /nfs/dbraw/zinc/78/33/82/532783382.db2.gz PEDMXQTZDXPZRM-BBRMVZONSA-N 1 0 375.296 2.329 20 0 GEADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Cn2cc(Br)cn2)CC1 ZINC000269588586 532784190 /nfs/dbraw/zinc/78/41/90/532784190.db2.gz AQDVQLRAVUBVSJ-CYBMUJFWSA-N 1 0 392.301 2.382 20 0 GEADRO 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FHRXGFOPURHVBB-XJKSGUPXSA-N 1 0 378.270 2.081 20 0 GEADRO CN(C(=O)CNC(=O)c1ccsc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457076622 532785529 /nfs/dbraw/zinc/78/55/29/532785529.db2.gz YRFRKIXPEYTNDJ-UHFFFAOYSA-N 1 0 377.432 2.353 20 0 GEADRO CN(C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCSC1 ZINC000287251061 532788557 /nfs/dbraw/zinc/78/85/57/532788557.db2.gz XIZRFZCRGJKCOH-HUUCEWRRSA-N 1 0 381.567 2.040 20 0 GEADRO CN(C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCSC1 ZINC000287251052 532788666 /nfs/dbraw/zinc/78/86/66/532788666.db2.gz XIZRFZCRGJKCOH-GJZGRUSLSA-N 1 0 381.567 2.040 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]C[C@]2(O)CCSC2)c2cc(Br)ccc21 ZINC000548482022 532791123 /nfs/dbraw/zinc/79/11/23/532791123.db2.gz OXPRIIDIDAEBQA-GXTWGEPZSA-N 1 0 392.340 2.125 20 0 GEADRO Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1Cl ZINC000326857234 532791154 /nfs/dbraw/zinc/79/11/54/532791154.db2.gz QAMZSRIUBROUCF-CYBMUJFWSA-N 1 0 392.352 2.278 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000458184709 532792124 /nfs/dbraw/zinc/79/21/24/532792124.db2.gz JNKBWLYLUSEFQB-ZDUSSCGKSA-N 1 0 382.302 2.027 20 0 GEADRO C[NH+]1CCC(CNC(=O)CCc2ccc(Cl)s2)(N2CCOCC2)CC1 ZINC000412474718 532793335 /nfs/dbraw/zinc/79/33/35/532793335.db2.gz LUFLNXLJWSXHFZ-UHFFFAOYSA-N 1 0 385.961 2.247 20 0 GEADRO CCN1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328698644 532795743 /nfs/dbraw/zinc/79/57/43/532795743.db2.gz LUWZAJMGTZMMDO-SJORKVTESA-N 1 0 389.924 2.240 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccnc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000287446535 532796405 /nfs/dbraw/zinc/79/64/05/532796405.db2.gz QUUKXVMIWMEDSH-VXGBXAGGSA-N 1 0 395.472 2.301 20 0 GEADRO CN(C)C(=O)C1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000411910979 532780026 /nfs/dbraw/zinc/78/00/26/532780026.db2.gz JMXMXIARDINLCK-NSHDSACASA-N 1 0 391.693 2.053 20 0 GEADRO CCSCCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000287049057 532781126 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GEADRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000271222796 532805293 /nfs/dbraw/zinc/80/52/93/532805293.db2.gz PLDKUXGVAYONQN-IRXDYDNUSA-N 1 0 380.535 2.218 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000271222798 532805388 /nfs/dbraw/zinc/80/53/88/532805388.db2.gz PLDKUXGVAYONQN-SJORKVTESA-N 1 0 380.535 2.218 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1(C)C ZINC000329309919 532805641 /nfs/dbraw/zinc/80/56/41/532805641.db2.gz ZFFBBHJKLQINGL-HUUCEWRRSA-N 1 0 388.555 2.062 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCC(C)(C)S(C)(=O)=O)C1 ZINC000413118061 532806452 /nfs/dbraw/zinc/80/64/52/532806452.db2.gz YUVWHIYCPMJFDY-HOTGVXAUSA-N 1 0 375.579 2.257 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(C)Cc1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000287715847 532807611 /nfs/dbraw/zinc/80/76/11/532807611.db2.gz FQUQGVDMOQSPRM-GFCCVEGCSA-N 1 0 382.302 2.006 20 0 GEADRO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1cc2c(cc1Br)OCCO2 ZINC000329595796 532808357 /nfs/dbraw/zinc/80/83/57/532808357.db2.gz BYHSWQXZLSXDCY-JTQLQIEISA-N 1 0 390.299 2.448 20 0 GEADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@@H]1CCCCS1 ZINC000555693125 532808494 /nfs/dbraw/zinc/80/84/94/532808494.db2.gz WGIQAMRLDUPQCP-GJZGRUSLSA-N 1 0 381.567 2.403 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1[nH]nc(C2CC2)c1Br ZINC000329583813 532808806 /nfs/dbraw/zinc/80/88/06/532808806.db2.gz LTTZAZIMGYGYPH-NSHDSACASA-N 1 0 397.317 2.280 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000555668984 532808998 /nfs/dbraw/zinc/80/89/98/532808998.db2.gz YCEIGQYQPCVLEZ-CJNGLKHVSA-N 1 0 394.313 2.323 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(F)cn1 ZINC000287787162 532809296 /nfs/dbraw/zinc/80/92/96/532809296.db2.gz SLLZQTVDYKGZLI-JTQLQIEISA-N 1 0 381.420 2.144 20 0 GEADRO COc1cc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)sc1Br ZINC000270411929 532797915 /nfs/dbraw/zinc/79/79/15/532797915.db2.gz ROGCUFSWRRMIOS-UHFFFAOYSA-N 1 0 391.331 2.484 20 0 GEADRO CCN1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000329077307 532802299 /nfs/dbraw/zinc/80/22/99/532802299.db2.gz CMHQSIQPFDDPJH-UHFFFAOYSA-N 1 0 385.555 2.091 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccsc2Br)CC[N@@H+]1C ZINC000287625149 532803479 /nfs/dbraw/zinc/80/34/79/532803479.db2.gz OYBHKYPEAPIBPT-ZYHUDNBSSA-N 1 0 388.331 2.068 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000330163876 532815041 /nfs/dbraw/zinc/81/50/41/532815041.db2.gz SUSACXWSACBAGZ-BDJLRTHQSA-N 1 0 375.897 2.228 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000288030245 532815596 /nfs/dbraw/zinc/81/55/96/532815596.db2.gz DAUPALPDSPBCIC-VIFPVBQESA-N 1 0 376.682 2.416 20 0 GEADRO C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272375339 532814496 /nfs/dbraw/zinc/81/44/96/532814496.db2.gz HAIBUJNMECZQOX-ZFWWWQNUSA-N 1 0 382.917 2.262 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413797497 532814711 /nfs/dbraw/zinc/81/47/11/532814711.db2.gz ITKXMCHEDWSTFB-NSHDSACASA-N 1 0 391.256 2.233 20 0 GEADRO O=C(Nc1ccncc1Br)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000272485851 532815751 /nfs/dbraw/zinc/81/57/51/532815751.db2.gz AGTPIZMEGTZDFJ-LSDHHAIUSA-N 1 0 383.290 2.343 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000288043463 532816171 /nfs/dbraw/zinc/81/61/71/532816171.db2.gz IUTZXPVAAXQOSC-IUODEOHRSA-N 1 0 380.286 2.473 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000330419918 532818010 /nfs/dbraw/zinc/81/80/10/532818010.db2.gz CVCMHKOVMVLNJD-ZDUSSCGKSA-N 1 0 377.913 2.477 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000288086919 532817275 /nfs/dbraw/zinc/81/72/75/532817275.db2.gz HPEFMZZYJTWHPG-ZETCQYMHSA-N 1 0 380.645 2.246 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)n1 ZINC000288146384 532818792 /nfs/dbraw/zinc/81/87/92/532818792.db2.gz PBFSRPOGZACLSI-FUNVUKJBSA-N 1 0 395.301 2.175 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C(=O)NCc1ccccc1 ZINC000414080404 532818809 /nfs/dbraw/zinc/81/88/09/532818809.db2.gz SZMCHUXRZGOYLK-UONOGXRCSA-N 1 0 392.297 2.294 20 0 GEADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)C1(C)C ZINC000414089044 532818825 /nfs/dbraw/zinc/81/88/25/532818825.db2.gz JPCQAELCNLERCR-ARFHVFGLSA-N 1 0 376.563 2.047 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC(=O)NC1CCCCC1 ZINC000414071436 532818900 /nfs/dbraw/zinc/81/89/00/532818900.db2.gz LTKFHKMJASCJEZ-ZDUSSCGKSA-N 1 0 384.318 2.428 20 0 GEADRO C[NH+]1CCN(C[C@H](O)COc2cc(F)c(Br)cc2Cl)CC1 ZINC000414124235 532819100 /nfs/dbraw/zinc/81/91/00/532819100.db2.gz KJBQXHAAAKCBKM-JTQLQIEISA-N 1 0 381.673 2.229 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000414134824 532819296 /nfs/dbraw/zinc/81/92/96/532819296.db2.gz HMPXBVHTWFBQAJ-MLGOLLRUSA-N 1 0 383.261 2.332 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cnc1Br ZINC000272913204 532819565 /nfs/dbraw/zinc/81/95/65/532819565.db2.gz CVOTWMLUHUXKAA-QXMXGUDHSA-N 1 0 395.301 2.223 20 0 GEADRO COC(=O)C1(O)CC[NH+](CCCc2ccc(Br)cc2OC)CC1 ZINC000273200630 532820599 /nfs/dbraw/zinc/82/05/99/532820599.db2.gz SHRXCUKHLUMPGY-UHFFFAOYSA-N 1 0 386.286 2.390 20 0 GEADRO CC(C)n1cc2c(n1)C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC2 ZINC000414385527 532823774 /nfs/dbraw/zinc/82/37/74/532823774.db2.gz WZXTXMXLMQKDRS-AWEZNQCLSA-N 1 0 382.917 2.412 20 0 GEADRO CCCCOCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414245780 532821106 /nfs/dbraw/zinc/82/11/06/532821106.db2.gz RQHHKADEBQFYHG-UHFFFAOYSA-N 1 0 379.320 2.393 20 0 GEADRO CSc1c(F)cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1F ZINC000273261515 532821316 /nfs/dbraw/zinc/82/13/16/532821316.db2.gz HUAPWWDYNXRYNK-MRXNPFEDSA-N 1 0 389.493 2.179 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000330566122 532821533 /nfs/dbraw/zinc/82/15/33/532821533.db2.gz AONYZVVJIFACOC-QWHCGFSZSA-N 1 0 382.302 2.120 20 0 GEADRO 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C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415382333 532843684 /nfs/dbraw/zinc/84/36/84/532843684.db2.gz VYTQIGBORCQRPW-ZETCQYMHSA-N 1 0 382.180 2.260 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415395435 532843803 /nfs/dbraw/zinc/84/38/03/532843803.db2.gz OCBVXWMMCMUBBS-QMMMGPOBSA-N 1 0 392.656 2.296 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415395434 532843853 /nfs/dbraw/zinc/84/38/53/532843853.db2.gz OCBVXWMMCMUBBS-MRVPVSSYSA-N 1 0 392.656 2.296 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000415394493 532843948 /nfs/dbraw/zinc/84/39/48/532843948.db2.gz QSIBGRJTPJGVFH-NSHDSACASA-N 1 0 375.803 2.480 20 0 GEADRO Cc1cc(F)c(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(I)c1 ZINC000415398059 532844005 /nfs/dbraw/zinc/84/40/05/532844005.db2.gz WQQHTRSBYQKNOB-AOOOYVTPSA-N 1 0 389.212 2.422 20 0 GEADRO CCCN(C(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@@H]1CC[NH2+]C1 ZINC000415403154 532844331 /nfs/dbraw/zinc/84/43/31/532844331.db2.gz LCPDNWIXXQVKBY-SNVBAGLBSA-N 1 0 390.228 2.266 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)ccc1OCC)[C@H]1CC[NH2+]C1 ZINC000415407981 532844475 /nfs/dbraw/zinc/84/44/75/532844475.db2.gz RGMOBSSVNJYJDC-ZDUSSCGKSA-N 1 0 398.301 2.387 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000415407638 532844622 /nfs/dbraw/zinc/84/46/22/532844622.db2.gz YPMIDMXXKMUHFJ-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1C(F)F ZINC000415430232 532844760 /nfs/dbraw/zinc/84/47/60/532844760.db2.gz JDZAINYOURWWLK-LLVKDONJSA-N 1 0 383.367 2.146 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415428066 532844933 /nfs/dbraw/zinc/84/49/33/532844933.db2.gz ODLVEVBMYYRILK-LBPRGKRZSA-N 1 0 393.285 2.425 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415437317 532845266 /nfs/dbraw/zinc/84/52/66/532845266.db2.gz ZLEKYJIKAQKPPX-LLVKDONJSA-N 1 0 377.819 2.412 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(F)cc1Br ZINC000415435958 532845310 /nfs/dbraw/zinc/84/53/10/532845310.db2.gz JCGRPPUTLUPEBZ-GHMZBOCLSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000331836438 532845449 /nfs/dbraw/zinc/84/54/49/532845449.db2.gz CGNPVQSMTBTXHW-STQMWFEESA-N 1 0 397.317 2.492 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415434201 532845528 /nfs/dbraw/zinc/84/55/28/532845528.db2.gz HKFKBRORTXBCMV-QWRGUYRKSA-N 1 0 386.265 2.421 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415435635 532845531 /nfs/dbraw/zinc/84/55/31/532845531.db2.gz JLLPBFZFJVNGOY-MNOVXSKESA-N 1 0 386.265 2.421 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)cc2)n1 ZINC000415436489 532845535 /nfs/dbraw/zinc/84/55/35/532845535.db2.gz OGYGGGZKYWJOGL-LLVKDONJSA-N 1 0 376.507 2.362 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)CC[N@@H+]1C ZINC000331828522 532845566 /nfs/dbraw/zinc/84/55/66/532845566.db2.gz ROQHQDCRNLUVIH-MFKMUULPSA-N 1 0 389.315 2.145 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415440533 532845557 /nfs/dbraw/zinc/84/55/57/532845557.db2.gz DVDPIKFCLYFCLE-NSHDSACASA-N 1 0 376.682 2.449 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC[C@@H]1[NH3+] ZINC000415440792 532845647 /nfs/dbraw/zinc/84/56/47/532845647.db2.gz FLBJTONIFDFOFX-GWCFXTLKSA-N 1 0 391.269 2.132 20 0 GEADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cnn(C)c1Br ZINC000274237093 532845672 /nfs/dbraw/zinc/84/56/72/532845672.db2.gz QTIQZLVGPSRXMJ-UHFFFAOYSA-N 1 0 392.301 2.495 20 0 GEADRO Cc1c(Br)cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c(=O)n1C ZINC000331870823 532845921 /nfs/dbraw/zinc/84/59/21/532845921.db2.gz BFFADJVXVFVXGV-GFCCVEGCSA-N 1 0 384.318 2.451 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC000415449534 532846023 /nfs/dbraw/zinc/84/60/23/532846023.db2.gz IVYYWBLJNPRVRV-NSHDSACASA-N 1 0 394.191 2.260 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415447355 532846048 /nfs/dbraw/zinc/84/60/48/532846048.db2.gz QDRVOCVGBIDGNZ-NWDGAFQWSA-N 1 0 398.301 2.372 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415442391 532846123 /nfs/dbraw/zinc/84/61/23/532846123.db2.gz PWFFTALYIUWGEU-NWDGAFQWSA-N 1 0 398.301 2.290 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415484803 532846754 /nfs/dbraw/zinc/84/67/54/532846754.db2.gz ONSMIVLMWVGUPL-UHFFFAOYSA-N 1 0 376.682 2.484 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415483415 532846779 /nfs/dbraw/zinc/84/67/79/532846779.db2.gz MEMFOYRLOHTTPG-UHFFFAOYSA-N 1 0 376.682 2.484 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)c1cccs1 ZINC000274300807 532847499 /nfs/dbraw/zinc/84/74/99/532847499.db2.gz SFLDPKFNHMPSAS-CYBMUJFWSA-N 1 0 381.523 2.330 20 0 GEADRO CN(C(=O)Nc1cc(Br)cnc1-n1cccn1)[C@@H](C[NH3+])C1CC1 ZINC000415484151 532846997 /nfs/dbraw/zinc/84/69/97/532846997.db2.gz NBODPGCXLZSNCJ-ZDUSSCGKSA-N 1 0 379.262 2.231 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415487739 532847261 /nfs/dbraw/zinc/84/72/61/532847261.db2.gz SBIIJYOALCHPSC-NWDGAFQWSA-N 1 0 379.262 2.421 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(OC)c1)C1CC[NH2+]CC1 ZINC000415497528 532847809 /nfs/dbraw/zinc/84/78/09/532847809.db2.gz HYUVGROSAQRXMO-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415502036 532847995 /nfs/dbraw/zinc/84/79/95/532847995.db2.gz SIJINOXCEPKODY-QMMMGPOBSA-N 1 0 378.217 2.300 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000415531473 532848739 /nfs/dbraw/zinc/84/87/39/532848739.db2.gz VBQAETSQFUIPTC-RYUDHWBXSA-N 1 0 398.301 2.371 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000332090326 532849082 /nfs/dbraw/zinc/84/90/82/532849082.db2.gz UZMKLSQPOZYWDY-JKSUJKDBSA-N 1 0 383.539 2.079 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)C1CC1 ZINC000415534742 532849431 /nfs/dbraw/zinc/84/94/31/532849431.db2.gz BPHKUNNUHQLKTQ-JTQLQIEISA-N 1 0 378.629 2.034 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)C1CC1 ZINC000415537847 532849484 /nfs/dbraw/zinc/84/94/84/532849484.db2.gz QGLOTDCEMIQJEC-NSHDSACASA-N 1 0 394.191 2.260 20 0 GEADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N[C@H](C)CC[NH3+])c(C)c2)s1 ZINC000415553313 532850004 /nfs/dbraw/zinc/85/00/04/532850004.db2.gz OLNWUIHILGUUMB-SNVBAGLBSA-N 1 0 379.511 2.098 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415556037 532849844 /nfs/dbraw/zinc/84/98/44/532849844.db2.gz RDLCGPWSDLHGAB-ZETCQYMHSA-N 1 0 398.179 2.140 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)nc12 ZINC000332256047 532850739 /nfs/dbraw/zinc/85/07/39/532850739.db2.gz CRXPYMLUHQMEKT-VXGBXAGGSA-N 1 0 380.290 2.297 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415573747 532850844 /nfs/dbraw/zinc/85/08/44/532850844.db2.gz ODNBDDWVRDIVPX-PWSUYJOCSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415580412 532850911 /nfs/dbraw/zinc/85/09/11/532850911.db2.gz RDARPOYDOUBBGK-MNOVXSKESA-N 1 0 391.269 2.132 20 0 GEADRO O=C(CCSc1ccccc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289236110 532850989 /nfs/dbraw/zinc/85/09/89/532850989.db2.gz MLKBLQYKVXQMON-CQSZACIVSA-N 1 0 398.370 2.437 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274550134 532851558 /nfs/dbraw/zinc/85/15/58/532851558.db2.gz DIYZVPFSPGLVDF-SECBINFHSA-N 1 0 391.697 2.283 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415636637 532851592 /nfs/dbraw/zinc/85/15/92/532851592.db2.gz GNNMHUBTGLYSNH-SFYZADRCSA-N 1 0 376.201 2.052 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000332297497 532851995 /nfs/dbraw/zinc/85/19/95/532851995.db2.gz UQVILECXRPURFO-CYBMUJFWSA-N 1 0 392.290 2.105 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415652896 532852178 /nfs/dbraw/zinc/85/21/78/532852178.db2.gz RKLHYNWKQJDMCH-DTWKUNHWSA-N 1 0 376.201 2.052 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1Br ZINC000415647602 532852285 /nfs/dbraw/zinc/85/22/85/532852285.db2.gz AWBRWBBSGNKXAW-GXSJLCMTSA-N 1 0 388.693 2.464 20 0 GEADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415649133 532852346 /nfs/dbraw/zinc/85/23/46/532852346.db2.gz PGBJJDJITLPQBL-STQMWFEESA-N 1 0 380.286 2.262 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415662618 532852522 /nfs/dbraw/zinc/85/25/22/532852522.db2.gz XDHPCUSNDDAIQM-SNVBAGLBSA-N 1 0 379.258 2.050 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC[NH2+]1 ZINC000415665860 532852622 /nfs/dbraw/zinc/85/26/22/532852622.db2.gz VGIDGUZWAWYWKX-GXFFZTMASA-N 1 0 391.269 2.193 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415658212 532852792 /nfs/dbraw/zinc/85/27/92/532852792.db2.gz QQIGJPBZPHGFDH-YPMHNXCESA-N 1 0 398.301 2.289 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1nc2c(s1)CCCC2 ZINC000332355081 532852804 /nfs/dbraw/zinc/85/28/04/532852804.db2.gz VTGVQKRIXXTRSX-ZIAGYGMSSA-N 1 0 386.587 2.333 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC[NH2+]1 ZINC000415666292 532853275 /nfs/dbraw/zinc/85/32/75/532853275.db2.gz VYTIOZSKIQEQLQ-NXEZZACHSA-N 1 0 375.803 2.179 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000274657044 532853507 /nfs/dbraw/zinc/85/35/07/532853507.db2.gz IFEMUXFVVPPDPP-HNNXBMFYSA-N 1 0 390.933 2.470 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000415680121 532853535 /nfs/dbraw/zinc/85/35/35/532853535.db2.gz QPXZGLWREZFWSG-LLVKDONJSA-N 1 0 398.276 2.065 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000415689677 532853598 /nfs/dbraw/zinc/85/35/98/532853598.db2.gz LIMAGWKOXXZIJW-KRWDZBQOSA-N 1 0 398.301 2.372 20 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/nfs/dbraw/zinc/85/46/31/532854631.db2.gz MWCFWNRLVZXJTE-SECBINFHSA-N 1 0 386.246 2.199 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000332382057 532854360 /nfs/dbraw/zinc/85/43/60/532854360.db2.gz VJACEPMHXLDNOY-GVXVVHGQSA-N 1 0 398.276 2.421 20 0 GEADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000289438782 532854748 /nfs/dbraw/zinc/85/47/48/532854748.db2.gz FSHSIOMDAFJMPM-AWEZNQCLSA-N 1 0 392.301 2.378 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)C[C@H]21 ZINC000332399582 532854846 /nfs/dbraw/zinc/85/48/46/532854846.db2.gz ZQQFEMZIQTYCOC-DRCTWCGVSA-N 1 0 384.249 2.113 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415738146 532854920 /nfs/dbraw/zinc/85/49/20/532854920.db2.gz DSOYTDVIBYKIIZ-JTQLQIEISA-N 1 0 383.290 2.294 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415738436 532854924 /nfs/dbraw/zinc/85/49/24/532854924.db2.gz FIOYZRCHFZEYLF-GXFFZTMASA-N 1 0 384.249 2.031 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(Cl)cc1OCC(F)F ZINC000415735560 532854965 /nfs/dbraw/zinc/85/49/65/532854965.db2.gz ZHYBTZLMDCJVSA-UHFFFAOYSA-N 1 0 376.835 2.401 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000415744916 532855463 /nfs/dbraw/zinc/85/54/63/532855463.db2.gz LRTCJNIWSFHKMI-MNOVXSKESA-N 1 0 386.279 2.399 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415752546 532855938 /nfs/dbraw/zinc/85/59/38/532855938.db2.gz DLLOFJJIFWYELL-WCQYABFASA-N 1 0 378.274 2.884 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)C[C@H]1C ZINC000332489672 532855970 /nfs/dbraw/zinc/85/59/70/532855970.db2.gz ACGOZONCXCYCAW-CHWSQXEVSA-N 1 0 395.297 2.138 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415758932 532855983 /nfs/dbraw/zinc/85/59/83/532855983.db2.gz PWJOYFIKBUEYPT-RISCZKNCSA-N 1 0 378.274 2.754 20 0 GEADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000415754466 532855989 /nfs/dbraw/zinc/85/59/89/532855989.db2.gz FLMWPOHNCKAADM-UHFFFAOYSA-N 1 0 376.507 2.412 20 0 GEADRO CC1(C)CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000415759796 532856012 /nfs/dbraw/zinc/85/60/12/532856012.db2.gz QYHUFVBGMYEHFF-UHFFFAOYSA-N 1 0 378.274 2.851 20 0 GEADRO CCOC(=O)[C@H]1CCCc2sc(NC(=O)N[C@@H](CC[NH3+])C(F)F)nc21 ZINC000415767542 532856570 /nfs/dbraw/zinc/85/65/70/532856570.db2.gz XPRJKCHCWHBIGL-IUCAKERBSA-N 1 0 376.429 2.230 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415760714 532856103 /nfs/dbraw/zinc/85/61/03/532856103.db2.gz SPCRPHSCDMPYIS-AWEZNQCLSA-N 1 0 378.274 2.851 20 0 GEADRO CC1(NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]CC1 ZINC000415751747 532856117 /nfs/dbraw/zinc/85/61/17/532856117.db2.gz BECQFBWZWQKEPE-UHFFFAOYSA-N 1 0 378.274 2.898 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000415760308 532856131 /nfs/dbraw/zinc/85/61/31/532856131.db2.gz SDJTXWYGVJZWLG-AAEUAGOBSA-N 1 0 378.274 2.897 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415767591 532856489 /nfs/dbraw/zinc/85/64/89/532856489.db2.gz YXLASYMQHBFTGG-GFCCVEGCSA-N 1 0 397.317 2.231 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)s1 ZINC000415766794 532856498 /nfs/dbraw/zinc/85/64/98/532856498.db2.gz MHLPOOMZKAWSOX-RYUDHWBXSA-N 1 0 376.507 2.329 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415771552 532856823 /nfs/dbraw/zinc/85/68/23/532856823.db2.gz HWWLOFLMXLYCOV-SKDRFNHKSA-N 1 0 389.237 2.419 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(I)cc1OC ZINC000415772578 532856763 /nfs/dbraw/zinc/85/67/63/532856763.db2.gz KHHCWRSSGLASGS-SECBINFHSA-N 1 0 377.226 2.419 20 0 GEADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])c(C)c2)s1 ZINC000415781144 532857125 /nfs/dbraw/zinc/85/71/25/532857125.db2.gz JIXDFCGUYASIAE-VHSXEESVSA-N 1 0 379.511 2.097 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415783964 532857149 /nfs/dbraw/zinc/85/71/49/532857149.db2.gz LXOWAMLNQUOYIA-SNVBAGLBSA-N 1 0 384.267 2.030 20 0 GEADRO NC(=O)C1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCCC1 ZINC000289522011 532857240 /nfs/dbraw/zinc/85/72/40/532857240.db2.gz NWJMPZSUXRFYLF-UHFFFAOYSA-N 1 0 378.274 2.165 20 0 GEADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)c2)s1 ZINC000415781145 532857352 /nfs/dbraw/zinc/85/73/52/532857352.db2.gz JIXDFCGUYASIAE-ZJUUUORDSA-N 1 0 379.511 2.097 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)C(F)F ZINC000415793297 532857630 /nfs/dbraw/zinc/85/76/30/532857630.db2.gz UESFAIRCBFVLQP-VIFPVBQESA-N 1 0 385.745 2.021 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415802505 532858263 /nfs/dbraw/zinc/85/82/63/532858263.db2.gz ICYFKXLLDVTPFF-SNVBAGLBSA-N 1 0 390.228 2.314 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cncc(Br)c1)[N@@H+]1CCCC[C@H]1C ZINC000332619771 532858350 /nfs/dbraw/zinc/85/83/50/532858350.db2.gz RXRCCUDZPMTOJL-NEPJUHHUSA-N 1 0 383.290 2.162 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)C1 ZINC000332596875 532857990 /nfs/dbraw/zinc/85/79/90/532857990.db2.gz MFHYUUPKNCSADV-NWDGAFQWSA-N 1 0 384.307 2.464 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cncc(Br)c1)[N@@H+]1CCCC[C@@H]1C ZINC000332619773 532858412 /nfs/dbraw/zinc/85/84/12/532858412.db2.gz RXRCCUDZPMTOJL-NWDGAFQWSA-N 1 0 383.290 2.162 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC[N@@H+]1C ZINC000332616673 532858483 /nfs/dbraw/zinc/85/84/83/532858483.db2.gz DBPICKOSQJAUME-HZSPNIEDSA-N 1 0 394.313 2.401 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCn1cc(Br)ccc1=O ZINC000332620128 532858572 /nfs/dbraw/zinc/85/85/72/532858572.db2.gz NUIVZUUXQUMJDL-KGLIPLIRSA-N 1 0 384.318 2.238 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000415818546 532858657 /nfs/dbraw/zinc/85/86/57/532858657.db2.gz WLPKCCIDQXBYRC-WDEREUQCSA-N 1 0 384.274 2.030 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000415829930 532859372 /nfs/dbraw/zinc/85/93/72/532859372.db2.gz DFAUHSPKYXDRFG-RDDDGLTNSA-N 1 0 394.191 2.212 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415827292 532859373 /nfs/dbraw/zinc/85/93/73/532859373.db2.gz BOJKGPUNEFTMPD-YPMHNXCESA-N 1 0 398.301 2.418 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1F ZINC000415833428 532859430 /nfs/dbraw/zinc/85/94/30/532859430.db2.gz HXUVQYCJGBQMEC-ZDUSSCGKSA-N 1 0 386.265 2.469 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415830697 532859481 /nfs/dbraw/zinc/85/94/81/532859481.db2.gz IQYRTZDMMWNZQW-CYBMUJFWSA-N 1 0 385.917 2.274 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415825288 532858994 /nfs/dbraw/zinc/85/89/94/532858994.db2.gz ZANABFCSYCHPKQ-CQSZACIVSA-N 1 0 398.301 2.338 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415832430 532859249 /nfs/dbraw/zinc/85/92/49/532859249.db2.gz LHDFASWLIIAKLF-GHMZBOCLSA-N 1 0 384.274 2.030 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415836153 532859860 /nfs/dbraw/zinc/85/98/60/532859860.db2.gz JUUNGDZFHRFJIC-CQSZACIVSA-N 1 0 398.301 2.420 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000415840242 532859897 /nfs/dbraw/zinc/85/98/97/532859897.db2.gz FYEASGBSHJFAIY-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415839863 532859944 /nfs/dbraw/zinc/85/99/44/532859944.db2.gz FPHHMKJMMDXDOC-MWLCHTKSSA-N 1 0 386.265 2.278 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415845296 532860208 /nfs/dbraw/zinc/86/02/08/532860208.db2.gz UQTPLTMDVZBISK-CMPLNLGQSA-N 1 0 391.269 2.179 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1F ZINC000415852174 532860592 /nfs/dbraw/zinc/86/05/92/532860592.db2.gz QHSVGXPEWJJMTN-MWLCHTKSSA-N 1 0 386.265 2.278 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(F)cc1Br ZINC000415854335 532860654 /nfs/dbraw/zinc/86/06/54/532860654.db2.gz WFBNMJNERMYSKI-GXSJLCMTSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C[C@H]1C[NH3+] ZINC000415855076 532860735 /nfs/dbraw/zinc/86/07/35/532860735.db2.gz XTEBTGHRQFPIRS-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415852815 532860737 /nfs/dbraw/zinc/86/07/37/532860737.db2.gz RSLVYHBASLLEQC-GXSJLCMTSA-N 1 0 386.265 2.278 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415853589 532860782 /nfs/dbraw/zinc/86/07/82/532860782.db2.gz UKGYPUSZEIJQET-NEPJUHHUSA-N 1 0 398.301 2.230 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415843820 532860398 /nfs/dbraw/zinc/86/03/98/532860398.db2.gz SVMXTCWIDUDFJU-GWCFXTLKSA-N 1 0 380.286 2.120 20 0 GEADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415862683 532861017 /nfs/dbraw/zinc/86/10/17/532861017.db2.gz FWVFQDNJSQMTHX-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000274972281 532860988 /nfs/dbraw/zinc/86/09/88/532860988.db2.gz CMGJIJZSVLBFSX-AWEZNQCLSA-N 1 0 393.329 2.490 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(Cl)c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415868607 532861221 /nfs/dbraw/zinc/86/12/21/532861221.db2.gz MDWJHIGLADRDMU-QMMMGPOBSA-N 1 0 392.656 2.438 20 0 GEADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415863164 532861145 /nfs/dbraw/zinc/86/11/45/532861145.db2.gz GIEHSKPCHQSSSB-NXEZZACHSA-N 1 0 375.778 2.365 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415870693 532861684 /nfs/dbraw/zinc/86/16/84/532861684.db2.gz GCUANRIWPVXWIM-MBNYWOFBSA-N 1 0 380.286 2.200 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415876217 532861712 /nfs/dbraw/zinc/86/17/12/532861712.db2.gz HQYMYKPTGIMNRB-UHFFFAOYSA-N 1 0 388.212 2.092 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Br ZINC000289635015 532861938 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CC[NH2+]CC1CCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000418917619 532881856 /nfs/dbraw/zinc/88/18/56/532881856.db2.gz UPAUYXMPKXFWDQ-UHFFFAOYSA-N 1 0 383.945 2.396 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@@]1(C)C[NH3+] ZINC000420457789 532883902 /nfs/dbraw/zinc/88/39/02/532883902.db2.gz JIRTYRSXQUDGDC-AMIZOPFISA-N 1 0 383.258 2.333 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420459851 532883905 /nfs/dbraw/zinc/88/39/05/532883905.db2.gz MEVSNYJTXBLNFG-IAQYHMDHSA-N 1 0 391.331 2.372 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419878360 532883163 /nfs/dbraw/zinc/88/31/63/532883163.db2.gz GFVMZGKMONWEIZ-MJBXVCDLSA-N 1 0 396.329 2.473 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000419870514 532883360 /nfs/dbraw/zinc/88/33/60/532883360.db2.gz KKSHQCRAKUAYTQ-UYSNPLJNSA-N 1 0 394.313 2.499 20 0 GEADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275805436 532883416 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GEADRO Ic1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)nc1 ZINC000351089776 532887099 /nfs/dbraw/zinc/88/70/99/532887099.db2.gz LRQLVKDDRXWPSU-ZYHUDNBSSA-N 1 0 398.204 2.272 20 0 GEADRO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000420934279 532887399 /nfs/dbraw/zinc/88/73/99/532887399.db2.gz GTVISBPFKLYBPL-NWDGAFQWSA-N 1 0 375.332 2.419 20 0 GEADRO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420918937 532887769 /nfs/dbraw/zinc/88/77/69/532887769.db2.gz AOFTWNVGBXUODG-IAGOWNOFSA-N 1 0 383.330 2.149 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000290719226 532887830 /nfs/dbraw/zinc/88/78/30/532887830.db2.gz XNRAOMPCKLCSLX-CYBMUJFWSA-N 1 0 376.469 2.462 20 0 GEADRO C[C@@H](O)C[NH+]1CCN(Cc2ncc(Br)cc2Br)CC1 ZINC000276133070 532889713 /nfs/dbraw/zinc/88/97/13/532889713.db2.gz CJXRGYIGGAKWJK-SNVBAGLBSA-N 1 0 393.123 2.105 20 0 GEADRO C[C@H](C(=O)NCCc1c[nH]c2cccc(Br)c12)N1CCN(C)CC1 ZINC000290813371 532890113 /nfs/dbraw/zinc/89/01/13/532890113.db2.gz FKQUKFCQYADNBQ-CYBMUJFWSA-N 1 0 393.329 2.225 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1O ZINC000290731656 532887971 /nfs/dbraw/zinc/88/79/71/532887971.db2.gz PJILCFBCMXZBFP-SNVBAGLBSA-N 1 0 382.404 2.365 20 0 GEADRO COC(=O)CCNC(=O)C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000360025440 532888942 /nfs/dbraw/zinc/88/89/42/532888942.db2.gz YOORIWBFADBNDO-APPDUMDISA-N 1 0 389.279 2.340 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1Br ZINC000360020533 532889082 /nfs/dbraw/zinc/88/90/82/532889082.db2.gz MATNMRXDXYPDTP-PXAZEXFGSA-N 1 0 396.285 2.268 20 0 GEADRO OC1(C[NH2+]Cc2c(Br)cncc2Br)CCOCC1 ZINC000290865948 532891299 /nfs/dbraw/zinc/89/12/99/532891299.db2.gz KYAOUIUTWSMHRS-UHFFFAOYSA-N 1 0 380.080 2.238 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1COc2ccc(Br)cc21 ZINC000360733586 532890538 /nfs/dbraw/zinc/89/05/38/532890538.db2.gz LXHJKFMNNRGYGB-HOCLYGCPSA-N 1 0 395.297 2.295 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCOc1ncccc1Cl)CCC2 ZINC000290819157 532890548 /nfs/dbraw/zinc/89/05/48/532890548.db2.gz WWGKNBOIKLVFLS-MRXNPFEDSA-N 1 0 381.885 2.428 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N(Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000423077238 532893421 /nfs/dbraw/zinc/89/34/21/532893421.db2.gz LTHACTYTPJPSBX-CYBMUJFWSA-N 1 0 398.276 2.029 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000423078049 532893587 /nfs/dbraw/zinc/89/35/87/532893587.db2.gz NNDLUAVRUJEPME-SFHVURJKSA-N 1 0 394.313 2.137 20 0 GEADRO Brc1cccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)c1 ZINC000423086600 532893657 /nfs/dbraw/zinc/89/36/57/532893657.db2.gz MHFAUFQXZVJSGW-SZMVWBNQSA-N 1 0 380.330 2.384 20 0 GEADRO Brc1cccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)c1 ZINC000423086594 532893680 /nfs/dbraw/zinc/89/36/80/532893680.db2.gz MHFAUFQXZVJSGW-CGTJXYLNSA-N 1 0 380.330 2.384 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423102679 532893987 /nfs/dbraw/zinc/89/39/87/532893987.db2.gz OMMDQQWLWOPDPA-CYBMUJFWSA-N 1 0 382.302 2.006 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(Cc2ccc(Br)cc2)C(C)C)C1 ZINC000423098798 532894017 /nfs/dbraw/zinc/89/40/17/532894017.db2.gz LMQNPKFJRLSFCE-HNNXBMFYSA-N 1 0 396.329 2.254 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000423104957 532894250 /nfs/dbraw/zinc/89/42/50/532894250.db2.gz HUEHFSGGKIBPQQ-CVEARBPZSA-N 1 0 394.313 2.323 20 0 GEADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424020954 532894487 /nfs/dbraw/zinc/89/44/87/532894487.db2.gz MZEGSPADVOVZMQ-PWSUYJOCSA-N 1 0 391.693 2.446 20 0 GEADRO O=C(CCc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000361922876 532894577 /nfs/dbraw/zinc/89/45/77/532894577.db2.gz AVPAKQUZCBITGU-SJORKVTESA-N 1 0 381.314 2.439 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccncc1Br ZINC000361300406 532892974 /nfs/dbraw/zinc/89/29/74/532892974.db2.gz VFDNKNKURKKQKA-IOASZLSFSA-N 1 0 382.302 2.463 20 0 GEADRO COC[C@]1(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)CC[NH2+]C1 ZINC000423043829 532892958 /nfs/dbraw/zinc/89/29/58/532892958.db2.gz ABLNBILWDFMBBZ-GTNSWQLSSA-N 1 0 399.285 2.024 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCCc1ccc(Br)cc1OC ZINC000423031853 532893030 /nfs/dbraw/zinc/89/30/30/532893030.db2.gz LMEOXQWDWDGRJS-GOEBONIOSA-N 1 0 385.302 2.274 20 0 GEADRO C[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000424051410 532895088 /nfs/dbraw/zinc/89/50/88/532895088.db2.gz JNHUPIJMTOTWEG-BZPMIXESSA-N 1 0 382.302 2.011 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC[N@@H+]1C ZINC000291037282 532895267 /nfs/dbraw/zinc/89/52/67/532895267.db2.gz GTKTXESCYRYXIZ-COMQUAJESA-N 1 0 385.555 2.479 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CCCCO ZINC000276421056 532895281 /nfs/dbraw/zinc/89/52/81/532895281.db2.gz QXFUMOAKXUKFHZ-LLVKDONJSA-N 1 0 376.238 2.323 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)CNC(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000424051411 532895381 /nfs/dbraw/zinc/89/53/81/532895381.db2.gz JNHUPIJMTOTWEG-DYEKYZERSA-N 1 0 382.302 2.011 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000276420786 532895553 /nfs/dbraw/zinc/89/55/53/532895553.db2.gz GIXPOJAFAUCRCU-BONVTDFDSA-N 1 0 398.276 2.434 20 0 GEADRO Cc1oc(Br)cc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000424618414 532896349 /nfs/dbraw/zinc/89/63/49/532896349.db2.gz JXJRRDZAWATUSN-UHFFFAOYSA-N 1 0 393.285 2.427 20 0 GEADRO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCc2cccc(Br)c2)CC1 ZINC000291118042 532896353 /nfs/dbraw/zinc/89/63/53/532896353.db2.gz AQRUXFUEAGTAHU-CQSZACIVSA-N 1 0 396.329 2.003 20 0 GEADRO C[C@@H]([NH2+]C1CCN(Cc2cscn2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000362637663 532896607 /nfs/dbraw/zinc/89/66/07/532896607.db2.gz QVGGJXGUXRDMSE-CYBMUJFWSA-N 1 0 380.539 2.106 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000363151169 532897301 /nfs/dbraw/zinc/89/73/01/532897301.db2.gz CEJLBLWUFQAMAK-CQSZACIVSA-N 1 0 380.286 2.393 20 0 GEADRO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)CCc2cccc(Br)c2)C1 ZINC000291151977 532897445 /nfs/dbraw/zinc/89/74/45/532897445.db2.gz DUFYKBOOMHVDGG-KRWDZBQOSA-N 1 0 396.329 2.051 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc(Br)ccc3O)CC2)C1 ZINC000363219154 532897751 /nfs/dbraw/zinc/89/77/51/532897751.db2.gz PNVLZQNRQVNJCH-AWEZNQCLSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)[NH+]1CCC(C)CC1 ZINC000291200736 532897844 /nfs/dbraw/zinc/89/78/44/532897844.db2.gz ALVIRFZBVKTEBL-JTQLQIEISA-N 1 0 378.420 2.337 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000291202245 532898016 /nfs/dbraw/zinc/89/80/16/532898016.db2.gz AOWNLLDBPRPYAD-YPMHNXCESA-N 1 0 397.317 2.328 20 0 GEADRO C[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000291280614 532899434 /nfs/dbraw/zinc/89/94/34/532899434.db2.gz YUABLAPWKUEMGU-OAHLLOKOSA-N 1 0 380.432 2.095 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291347304 532900502 /nfs/dbraw/zinc/90/05/02/532900502.db2.gz VXMYRUVBVWYGMR-JURCDPSOSA-N 1 0 385.555 2.337 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000363443617 532898854 /nfs/dbraw/zinc/89/88/54/532898854.db2.gz XHBBLZDLXRWXIV-FVQBIDKESA-N 1 0 376.881 2.351 20 0 GEADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)/C=C/C[NH+](C)C ZINC000276839908 532902176 /nfs/dbraw/zinc/90/21/76/532902176.db2.gz XDQOVOUFZKEHAP-VMPITWQZSA-N 1 0 383.286 2.459 20 0 GEADRO CCC[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000364251802 532905431 /nfs/dbraw/zinc/90/54/31/532905431.db2.gz BOBBDALREJHYEK-UHFFFAOYSA-N 1 0 387.933 2.148 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000364005067 532902826 /nfs/dbraw/zinc/90/28/26/532902826.db2.gz UUUFXDNUHHRMOK-MELADBBJSA-N 1 0 382.302 2.476 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)cnc1Br ZINC000291494072 532902919 /nfs/dbraw/zinc/90/29/19/532902919.db2.gz MUOUTUAXXBOIHS-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO [NH3+][C@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@@H]1c1ccc(F)cc1 ZINC000364178836 532904151 /nfs/dbraw/zinc/90/41/51/532904151.db2.gz ARIPRQMGZLQOLG-OLZOCXBDSA-N 1 0 399.207 2.325 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364181528 532904246 /nfs/dbraw/zinc/90/42/46/532904246.db2.gz YEHZGIJXGYMIJY-GOOCMWNKSA-N 1 0 379.298 2.265 20 0 GEADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000291574999 532904480 /nfs/dbraw/zinc/90/44/80/532904480.db2.gz WTYYCZIFVOPCJB-UHFFFAOYSA-N 1 0 376.404 2.091 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000277004873 532905836 /nfs/dbraw/zinc/90/58/36/532905836.db2.gz OXTWREYPXBSRMY-IINYFYTJSA-N 1 0 386.279 2.493 20 0 GEADRO Cc1ccc(Cl)c(NC(=O)N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000364285552 532906082 /nfs/dbraw/zinc/90/60/82/532906082.db2.gz ZREBUWYLQFVWLV-CQSZACIVSA-N 1 0 385.917 2.421 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cnc2Br)[C@@H](C)C1 ZINC000291651692 532906268 /nfs/dbraw/zinc/90/62/68/532906268.db2.gz DWLSBKIUHIDAJP-JSGCOSHPSA-N 1 0 397.317 2.280 20 0 GEADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000291670341 532906719 /nfs/dbraw/zinc/90/67/19/532906719.db2.gz KKJNAHPUXARRMD-UHFFFAOYSA-N 1 0 385.477 2.071 20 0 GEADRO COCC1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)CCOCC1 ZINC000291832205 532909255 /nfs/dbraw/zinc/90/92/55/532909255.db2.gz GAAWRGJMCUIKLH-AWEZNQCLSA-N 1 0 389.265 2.147 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365297576 532909500 /nfs/dbraw/zinc/90/95/00/532909500.db2.gz VGGNPHHVTIUORL-PRHODGIISA-N 1 0 381.242 2.100 20 0 GEADRO Cn1nc(Br)cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000365339063 532909872 /nfs/dbraw/zinc/90/98/72/532909872.db2.gz WHQRYYHFNXNZRA-WFASDCNBSA-N 1 0 378.274 2.000 20 0 GEADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365371828 532910212 /nfs/dbraw/zinc/91/02/12/532910212.db2.gz IMRHPRFONUWAPF-LRDDRELGSA-N 1 0 375.270 2.459 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cc(F)cc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000365396393 532910375 /nfs/dbraw/zinc/91/03/75/532910375.db2.gz WXKIVFPZEOEWNL-ZDUSSCGKSA-N 1 0 389.924 2.268 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)[C@H](C)C1 ZINC000291759758 532908394 /nfs/dbraw/zinc/90/83/94/532908394.db2.gz NFJKNDMMYNBYKE-NXEZZACHSA-N 1 0 378.420 2.289 20 0 GEADRO CC(C)[C@@H](C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)[NH+](C)C ZINC000365029978 532908646 /nfs/dbraw/zinc/90/86/46/532908646.db2.gz GHSRDIDFNIXRDY-NSHDSACASA-N 1 0 379.452 2.182 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c(=O)n1C ZINC000365248445 532909071 /nfs/dbraw/zinc/90/90/71/532909071.db2.gz UPEIAOQQNINHNS-UHFFFAOYSA-N 1 0 382.302 2.157 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)[C@@H]1c1cccs1 ZINC000365824047 532912291 /nfs/dbraw/zinc/91/22/91/532912291.db2.gz JMHDWXIDLLPWCH-KYOSRNDESA-N 1 0 377.432 2.450 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292074699 532912631 /nfs/dbraw/zinc/91/26/31/532912631.db2.gz QHXFYYPNEPIRLJ-OAHLLOKOSA-N 1 0 389.315 2.174 20 0 GEADRO O=Cc1ccc(OCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000365603344 532911564 /nfs/dbraw/zinc/91/15/64/532911564.db2.gz RTCANHIWVDTBNB-AWEZNQCLSA-N 1 0 381.270 2.337 20 0 GEADRO CC[C@H](NC(=O)C[C@H](C[NH3+])OC)c1noc(-c2cccc(Br)c2)n1 ZINC000365711933 532911729 /nfs/dbraw/zinc/91/17/29/532911729.db2.gz MCSVKCRVLBDAIP-OLZOCXBDSA-N 1 0 397.273 2.430 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2cnc3cnccn23)CCN1c1cccc(Br)c1 ZINC000365807502 532911889 /nfs/dbraw/zinc/91/18/89/532911889.db2.gz VCHOVBLQRDFVKC-HNNXBMFYSA-N 1 0 386.253 2.387 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292304457 532915119 /nfs/dbraw/zinc/91/51/19/532915119.db2.gz SCGUPIRCCPIPQA-QGZVFWFLSA-N 1 0 381.270 2.404 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366286705 532915890 /nfs/dbraw/zinc/91/58/90/532915890.db2.gz OBCMJSJMTHSZPX-SKDRFNHKSA-N 1 0 379.707 2.475 20 0 GEADRO CS(=O)(=O)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000292400122 532915909 /nfs/dbraw/zinc/91/59/09/532915909.db2.gz YTHIGNFFCYONOC-LBPRGKRZSA-N 1 0 378.416 2.401 20 0 GEADRO CC(C)[NH+](CCCNC(=O)N1CCCC[C@H]1CCS(C)(=O)=O)C(C)C ZINC000366278815 532915941 /nfs/dbraw/zinc/91/59/41/532915941.db2.gz JMXPZXDUKKRPEU-KRWDZBQOSA-N 1 0 375.579 2.494 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366282714 532916021 /nfs/dbraw/zinc/91/60/21/532916021.db2.gz GVXGVUYJCWYSIS-WCQYABFASA-N 1 0 380.491 2.060 20 0 GEADRO COc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)c(I)c1 ZINC000292408881 532916044 /nfs/dbraw/zinc/91/60/44/532916044.db2.gz PAIAVUBXYUVQKR-SNVBAGLBSA-N 1 0 376.238 2.227 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000292099909 532912931 /nfs/dbraw/zinc/91/29/31/532912931.db2.gz OGHFXVFHYFCUPZ-QWHCGFSZSA-N 1 0 382.302 2.436 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(c2c[nH]cn2)CC1 ZINC000365911797 532912957 /nfs/dbraw/zinc/91/29/57/532912957.db2.gz DZEUHFGJMDGVMP-UHFFFAOYSA-N 1 0 375.422 2.487 20 0 GEADRO Cc1cnc(Br)c(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000292143177 532913732 /nfs/dbraw/zinc/91/37/32/532913732.db2.gz WHGDSGVEWRNRTG-CYBMUJFWSA-N 1 0 383.290 2.339 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Br)ccc3F)C2)C1 ZINC000292135841 532913747 /nfs/dbraw/zinc/91/37/47/532913747.db2.gz YJPVSOHDKSRBAG-AWEZNQCLSA-N 1 0 377.279 2.305 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1OCCc2sccc21 ZINC000292447885 532916612 /nfs/dbraw/zinc/91/66/12/532916612.db2.gz PBZHLMMTJNQUEH-SJKOYZFVSA-N 1 0 382.507 2.066 20 0 GEADRO COc1cc(NC(=O)NC[C@H]2CN(C3CC3)CCO2)ccc1Br ZINC000366591731 532919071 /nfs/dbraw/zinc/91/90/71/532919071.db2.gz LNXGFMUPCHIORS-ZDUSSCGKSA-N 1 0 384.274 2.442 20 0 GEADRO O[C@@H](C[NH2+]Cc1cnn(CC(F)F)c1)COc1ccccc1Br ZINC000292770796 532918306 /nfs/dbraw/zinc/91/83/06/532918306.db2.gz SQCYOIZZYXCTDO-LBPRGKRZSA-N 1 0 390.228 2.440 20 0 GEADRO OC[C@@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1ccccc1OC(F)(F)F ZINC000292819493 532918793 /nfs/dbraw/zinc/91/87/93/532918793.db2.gz CYAWTILQANJAPN-GXSJLCMTSA-N 1 0 377.281 2.148 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c2cccnc12)C[NH+](C)C ZINC000293089958 532921872 /nfs/dbraw/zinc/92/18/72/532921872.db2.gz DVPMEGVYDFDKCY-NSHDSACASA-N 1 0 393.285 2.250 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c(Br)c1 ZINC000366925374 532921906 /nfs/dbraw/zinc/92/19/06/532921906.db2.gz LCOLYWMVSKWIHY-GOEBONIOSA-N 1 0 381.270 2.383 20 0 GEADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NC[C@H]3CSCCS3)CC2)CC1 ZINC000366897508 532922017 /nfs/dbraw/zinc/92/20/17/532922017.db2.gz VSHVHBPENVRNFJ-KRWDZBQOSA-N 1 0 386.631 2.035 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(c2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000293124649 532922342 /nfs/dbraw/zinc/92/23/42/532922342.db2.gz RFKMCBNRTQEMLK-CYBMUJFWSA-N 1 0 392.301 2.168 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000366941882 532922038 /nfs/dbraw/zinc/92/20/38/532922038.db2.gz VILUECXRLFHEGC-CYUUQNCZSA-N 1 0 388.917 2.397 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000366942125 532922153 /nfs/dbraw/zinc/92/21/53/532922153.db2.gz COLBKSUMILWFFA-QWRGUYRKSA-N 1 0 375.238 2.238 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000366659468 532919840 /nfs/dbraw/zinc/91/98/40/532919840.db2.gz XQKISVYLVFMIIM-UONOGXRCSA-N 1 0 376.881 2.089 20 0 GEADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c(Br)c1 ZINC000367465260 532925213 /nfs/dbraw/zinc/92/52/13/532925213.db2.gz ZAWJPWOEMRCEER-PBHICJAKSA-N 1 0 380.286 2.343 20 0 GEADRO Brc1cccc(N2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000367461503 532925225 /nfs/dbraw/zinc/92/52/25/532925225.db2.gz AGMWGWZOAIPZOF-HDICACEKSA-N 1 0 380.330 2.434 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000293129748 532922536 /nfs/dbraw/zinc/92/25/36/532922536.db2.gz FQSRBDKEVCQMAD-KRWDZBQOSA-N 1 0 380.286 2.250 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000367473280 532925543 /nfs/dbraw/zinc/92/55/43/532925543.db2.gz CWNVJIBGXDEINU-HNNXBMFYSA-N 1 0 389.315 2.222 20 0 GEADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000367446443 532924723 /nfs/dbraw/zinc/92/47/23/532924723.db2.gz FAKJFLKZLZUMIU-CYBMUJFWSA-N 1 0 385.917 2.210 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000293310826 532925003 /nfs/dbraw/zinc/92/50/03/532925003.db2.gz UEFWFHWGIUYMFY-QGZVFWFLSA-N 1 0 386.279 2.495 20 0 GEADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000367672948 532926210 /nfs/dbraw/zinc/92/62/10/532926210.db2.gz SWFNUDHQUZNMBF-AWEZNQCLSA-N 1 0 387.933 2.147 20 0 GEADRO C[C@@H](O)c1ncc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000367681570 532926376 /nfs/dbraw/zinc/92/63/76/532926376.db2.gz CVTRVLNFHWZCSI-VXGBXAGGSA-N 1 0 387.552 2.058 20 0 GEADRO Cc1csc(NC(=O)[C@H]2CCC[N@H+](CCCNC(=O)C(F)(F)F)C2)n1 ZINC000367679791 532926494 /nfs/dbraw/zinc/92/64/94/532926494.db2.gz WUPJRANTGLINIE-NSHDSACASA-N 1 0 378.420 2.171 20 0 GEADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000367799678 532927395 /nfs/dbraw/zinc/92/73/95/532927395.db2.gz TUXFZRIXSGVDPC-RNCFNFMXSA-N 1 0 379.707 2.475 20 0 GEADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293496339 532927719 /nfs/dbraw/zinc/92/77/19/532927719.db2.gz SDRJHBAEHJKMSQ-KTKLAQCOSA-N 1 0 393.281 2.444 20 0 GEADRO C[C@H](c1ncc(Br)cn1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367846868 532928162 /nfs/dbraw/zinc/92/81/62/532928162.db2.gz GODCYUIHRSJLON-CJNGLKHVSA-N 1 0 382.350 2.400 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c2ccsc2S1(=O)=O ZINC000367900628 532928639 /nfs/dbraw/zinc/92/86/39/532928639.db2.gz CXXRSKUYOWQHOB-YDHLFZDLSA-N 1 0 383.539 2.235 20 0 GEADRO Cc1ccc(NCc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1S(N)(=O)=O ZINC000367967459 532929008 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CS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Cl)cc1Cl ZINC000368362722 532931913 /nfs/dbraw/zinc/93/19/13/532931913.db2.gz PTYSZSBBHPSPQD-RNCFNFMXSA-N 1 0 377.293 2.221 20 0 GEADRO Cc1nc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000368415551 532932311 /nfs/dbraw/zinc/93/23/11/532932311.db2.gz CDCWNDCBXUHAKR-ZIAGYGMSSA-N 1 0 383.290 2.215 20 0 GEADRO CNC(=O)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000368188493 532930621 /nfs/dbraw/zinc/93/06/21/532930621.db2.gz YFAAEADOVGPPKE-UHFFFAOYSA-N 1 0 382.302 2.008 20 0 GEADRO C[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)N1C(=S)N=NC1c1cccs1 ZINC000293734139 532930680 /nfs/dbraw/zinc/93/06/80/532930680.db2.gz UKPUGMGIMKOBOC-GFCCVEGCSA-N 1 0 377.539 2.458 20 0 GEADRO CCO[C@@H]1C[C@H](N[C@@H](C(N)=O)c2ccc(Br)cc2)[C@@]12CCCO2 ZINC000368285909 532931134 /nfs/dbraw/zinc/93/11/34/532931134.db2.gz XTVFTCVGALRFGX-HWMZRRJGSA-N 1 0 383.286 2.292 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000293757067 532931177 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C[C@@H](CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C[NH+](C)C ZINC000293969907 532933977 /nfs/dbraw/zinc/93/39/77/532933977.db2.gz WSNZYYMIEZQMRU-QWHCGFSZSA-N 1 0 382.302 2.116 20 0 GEADRO O=C(NCc1cc(Br)cs1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368970742 532935836 /nfs/dbraw/zinc/93/58/36/532935836.db2.gz WNGVBVHGLUVMFO-UONOGXRCSA-N 1 0 388.331 2.251 20 0 GEADRO C[C@]12CCC(=O)N1[C@H](C(=O)NC1CC[NH+](Cc3cccs3)CC1)CS2 ZINC000368803991 532934658 /nfs/dbraw/zinc/93/46/58/532934658.db2.gz YQWIMLPXBBGVMD-YJBOKZPZSA-N 1 0 379.551 2.283 20 0 GEADRO O=S(=O)(N[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1)c1ccccc1 ZINC000369032895 532936620 /nfs/dbraw/zinc/93/66/20/532936620.db2.gz SXUGAKONWJTZSE-AWEZNQCLSA-N 1 0 380.432 2.398 20 0 GEADRO CN(C(=O)c1cccnc1-n1cc(Br)cn1)C1CC[NH+](C)CC1 ZINC000294219847 532937200 /nfs/dbraw/zinc/93/72/00/532937200.db2.gz KGJVDCXCHLRFMV-UHFFFAOYSA-N 1 0 378.274 2.196 20 0 GEADRO Cn1ncc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1I ZINC000294282497 532937597 /nfs/dbraw/zinc/93/75/97/532937597.db2.gz 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COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000737127685 598961635 /nfs/dbraw/zinc/96/16/35/598961635.db2.gz RCZDPNVXHFRGJD-FZKQIMNGSA-N 1 0 378.436 2.331 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000737031796 598986184 /nfs/dbraw/zinc/98/61/84/598986184.db2.gz HOCPKPHMIHBYTJ-INIZCTEOSA-N 1 0 397.483 2.442 20 0 GEADRO CCC[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736469152 598989675 /nfs/dbraw/zinc/98/96/75/598989675.db2.gz GNDSPXWURDIXBS-BHIYHBOVSA-N 1 0 398.511 2.008 20 0 GEADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000736239582 599016587 /nfs/dbraw/zinc/01/65/87/599016587.db2.gz HEBRRPZSIJSNBE-UPTPFMHGSA-N 1 0 398.511 2.357 20 0 GEADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736275825 599022095 /nfs/dbraw/zinc/02/20/95/599022095.db2.gz DNSUCBOMLRERTH-OAHLLOKOSA-N 1 0 391.479 2.424 20 0 GEADRO C[N@H+](CCNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1)C1CC1 ZINC000736799714 599025392 /nfs/dbraw/zinc/02/53/92/599025392.db2.gz FNDUUQOSVCFYFF-UHFFFAOYSA-N 1 0 392.463 2.270 20 0 GEADRO Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)nc2)[NH+]2CCCC2)cc1 ZINC000737318391 599027306 /nfs/dbraw/zinc/02/73/06/599027306.db2.gz AKGXXWRYXYPDRQ-SFHVURJKSA-N 1 0 377.452 2.137 20 0 GEADRO NC(=O)[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729890 599089532 /nfs/dbraw/zinc/08/95/32/599089532.db2.gz FIUCKZXQJOQVSJ-SFHVURJKSA-N 1 0 376.464 2.495 20 0 GEADRO CCCCOc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736463585 599091129 /nfs/dbraw/zinc/09/11/29/599091129.db2.gz QDAYXCBKVLETDP-LJQANCHMSA-N 1 0 394.479 2.404 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000736134100 599096983 /nfs/dbraw/zinc/09/69/83/599096983.db2.gz JBTVBDWRLQOJDN-JXFKEZNVSA-N 1 0 378.480 2.418 20 0 GEADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000736804792 599133686 /nfs/dbraw/zinc/13/36/86/599133686.db2.gz WEOLTSLLLJBFRJ-INIZCTEOSA-N 1 0 394.435 2.203 20 0 GEADRO C[C@@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)[C@H]1C ZINC000736264048 599138290 /nfs/dbraw/zinc/13/82/90/599138290.db2.gz BFIPMSWGMQMISH-KGLIPLIRSA-N 1 0 380.456 2.111 20 0 GEADRO Cc1ccc([C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822227510 599141899 /nfs/dbraw/zinc/14/18/99/599141899.db2.gz LNNFWNOTOKBIFN-OAHLLOKOSA-N 1 0 382.468 2.462 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614666 599193332 /nfs/dbraw/zinc/19/33/32/599193332.db2.gz PXJBXOHFTOHHHP-IBGZPJMESA-N 1 0 376.464 2.142 20 0 GEADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1Cl ZINC000736768328 599202445 /nfs/dbraw/zinc/20/24/45/599202445.db2.gz DTDLTGWWGRMNQD-UHFFFAOYSA-N 1 0 387.831 2.108 20 0 GEADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C1 ZINC000821088880 599207084 /nfs/dbraw/zinc/20/70/84/599207084.db2.gz ZFVBDMZFVXJUNU-OAHLLOKOSA-N 1 0 397.483 2.363 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000821180693 599209357 /nfs/dbraw/zinc/20/93/57/599209357.db2.gz FYAQGXBCFRMSPS-YJBOKZPZSA-N 1 0 386.500 2.213 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736292055 599235271 /nfs/dbraw/zinc/23/52/71/599235271.db2.gz HQDMTJQRLJHZFX-TZMCWYRMSA-N 1 0 389.891 2.017 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736292052 599235459 /nfs/dbraw/zinc/23/54/59/599235459.db2.gz HQDMTJQRLJHZFX-GXTWGEPZSA-N 1 0 389.891 2.017 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736254585 599250790 /nfs/dbraw/zinc/25/07/90/599250790.db2.gz ZTLYMUATQZWBII-HUUCEWRRSA-N 1 0 397.483 2.099 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736248361 599251154 /nfs/dbraw/zinc/25/11/54/599251154.db2.gz IMAOOPQRQXCDEY-CKNLXJGOSA-N 1 0 397.483 2.102 20 0 GEADRO C[C@@H]1CCC[C@H](C)C[N@H+]1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736254586 599251188 /nfs/dbraw/zinc/25/11/88/599251188.db2.gz ZTLYMUATQZWBII-LSDHHAIUSA-N 1 0 397.483 2.099 20 0 GEADRO Cc1c(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cccc1-c1nn[nH]n1 ZINC000822089508 607293482 /nfs/dbraw/zinc/29/34/82/607293482.db2.gz DARVVAIVYMIRSN-MSOLQXFVSA-N 1 0 399.499 2.065 20 0 GEADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821586094 607299995 /nfs/dbraw/zinc/29/99/95/607299995.db2.gz JNHNZBJFOSDILX-UHFFFAOYSA-N 1 0 385.859 2.119 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2ccc(-c3nn[nH]n3)o2)c1 ZINC000821189371 607312585 /nfs/dbraw/zinc/31/25/85/607312585.db2.gz KXXJMOSSPOPBQO-UHFFFAOYSA-N 1 0 383.456 2.143 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821252779 599286259 /nfs/dbraw/zinc/28/62/59/599286259.db2.gz BVFBYRNTDADAHL-SNVBAGLBSA-N 1 0 383.378 2.349 20 0 GEADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000738144735 599287790 /nfs/dbraw/zinc/28/77/90/599287790.db2.gz MUOYMUIOIQBXHJ-NSHDSACASA-N 1 0 381.362 2.197 20 0 GEADRO CCn1ncc2c1CCC[C@H]2[NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736730894 599289020 /nfs/dbraw/zinc/28/90/20/599289020.db2.gz KEFPBZQVQSDKCY-BLLLJJGKSA-N 1 0 380.456 2.077 20 0 GEADRO CCC[NH+]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821109167 599289051 /nfs/dbraw/zinc/28/90/51/599289051.db2.gz ATUCJMAZPMASPJ-UHFFFAOYSA-N 1 0 383.378 2.445 20 0 GEADRO CCCOc1cccc(CC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821139175 607325696 /nfs/dbraw/zinc/32/56/96/607325696.db2.gz QVPBZEPCTDOPDG-SFHVURJKSA-N 1 0 380.452 2.014 20 0 GEADRO Cc1ccc([C@H](CNC(=O)COc2cccc(-c3nn[nH]n3)c2)[NH+]2CCCC2)o1 ZINC000737322564 598231922 /nfs/dbraw/zinc/23/19/22/598231922.db2.gz ZKSNJGXVPGYIRZ-KRWDZBQOSA-N 1 0 396.451 2.100 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)COc2ccccc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737319774 598233869 /nfs/dbraw/zinc/23/38/69/598233869.db2.gz GQURXQUJOZYHGR-MRXNPFEDSA-N 1 0 396.451 2.100 20 0 GEADRO c1cnn(CCCCC[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000738447441 598246754 /nfs/dbraw/zinc/24/67/54/598246754.db2.gz FNNGOEVLCVQHFT-UHFFFAOYSA-N 1 0 394.527 2.441 20 0 GEADRO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000735875510 598249415 /nfs/dbraw/zinc/24/94/15/598249415.db2.gz NTFXNYXSBVYTLO-UHFFFAOYSA-N 1 0 391.907 2.263 20 0 GEADRO CC(C)COC(=O)N1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000735839444 598254807 /nfs/dbraw/zinc/25/48/07/598254807.db2.gz VCGDHYMMPQLCAE-UHFFFAOYSA-N 1 0 388.472 2.046 20 0 GEADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000735636067 598257117 /nfs/dbraw/zinc/25/71/17/598257117.db2.gz NVNMDKVJOXCQQC-GFCCVEGCSA-N 1 0 376.436 2.352 20 0 GEADRO C[N@@H+]1CC[C@H](C(=O)Nc2ccc(OCc3cccc(-c4nn[nH]n4)c3)c(F)c2)C1 ZINC000736846739 598260258 /nfs/dbraw/zinc/26/02/58/598260258.db2.gz AYOFBOQENLISLQ-HNNXBMFYSA-N 1 0 396.426 2.475 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000735905935 598263178 /nfs/dbraw/zinc/26/31/78/598263178.db2.gz NRYWWVDIJLWUDO-HNNXBMFYSA-N 1 0 385.472 2.356 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736756469 598272850 /nfs/dbraw/zinc/27/28/50/598272850.db2.gz IYUZTLVLNVHFFA-OAHLLOKOSA-N 1 0 396.451 2.205 20 0 GEADRO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CCN1 ZINC000738299787 598293573 /nfs/dbraw/zinc/29/35/73/598293573.db2.gz BVZJTIDYERLOIS-GOSISDBHSA-N 1 0 387.447 2.183 20 0 GEADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735685460 598300563 /nfs/dbraw/zinc/30/05/63/598300563.db2.gz WAQWEBQADXZIMP-MRXNPFEDSA-N 1 0 386.500 2.120 20 0 GEADRO C[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000736267137 598317413 /nfs/dbraw/zinc/31/74/13/598317413.db2.gz MBLZQGDKYZJSRQ-CHWSQXEVSA-N 1 0 375.452 2.068 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736227077 598324962 /nfs/dbraw/zinc/32/49/62/598324962.db2.gz YXRBWUHGQSZJLA-MCIONIFRSA-N 1 0 389.479 2.171 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736474263 598326288 /nfs/dbraw/zinc/32/62/88/598326288.db2.gz ZKXPEYTYMWGUFT-UHFFFAOYSA-N 1 0 377.468 2.317 20 0 GEADRO CC(C)C[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000735794721 598334181 /nfs/dbraw/zinc/33/41/81/598334181.db2.gz CEZPCZJBNKYLOX-QGZVFWFLSA-N 1 0 397.483 2.099 20 0 GEADRO CCCC[N@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)[C@H](C)CC ZINC000736457086 598334672 /nfs/dbraw/zinc/33/46/72/598334672.db2.gz NPFLOEWNIYHCBN-OAHLLOKOSA-N 1 0 399.499 2.489 20 0 GEADRO O[C@@H](C[NH+]1CCC(CNc2ncccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738381306 598337426 /nfs/dbraw/zinc/33/74/26/598337426.db2.gz KMVUNQKLIHLJSQ-SFHVURJKSA-N 1 0 379.468 2.119 20 0 GEADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)n1 ZINC000737271126 598347519 /nfs/dbraw/zinc/34/75/19/598347519.db2.gz JCSFQKXEBATPGP-INIZCTEOSA-N 1 0 382.447 2.171 20 0 GEADRO CC(C)n1ccnc1CN1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000735966215 598347814 /nfs/dbraw/zinc/34/78/14/598347814.db2.gz PEDBMYDAKJTMKT-UHFFFAOYSA-N 1 0 380.500 2.352 20 0 GEADRO Cc1cnn([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737444809 598355443 /nfs/dbraw/zinc/35/54/43/598355443.db2.gz PKIOTZGVVPSGNB-QGZVFWFLSA-N 1 0 380.456 2.037 20 0 GEADRO Cc1nccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737501357 598356670 /nfs/dbraw/zinc/35/66/70/598356670.db2.gz UYMXJVVMBRMIOV-QGZVFWFLSA-N 1 0 380.456 2.037 20 0 GEADRO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736284684 598365950 /nfs/dbraw/zinc/36/59/50/598365950.db2.gz CVZVYVPIHHVEDH-FOIQADDNSA-N 1 0 396.470 2.246 20 0 GEADRO C[N@H+](CCO)C1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736801355 598366800 /nfs/dbraw/zinc/36/68/00/598366800.db2.gz IKVKRAVRGQQZMU-UHFFFAOYSA-N 1 0 392.507 2.422 20 0 GEADRO O=C(C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737878095 598373120 /nfs/dbraw/zinc/37/31/20/598373120.db2.gz YNBNWDWBYFGAQB-IBGZPJMESA-N 1 0 390.491 2.438 20 0 GEADRO CC(C)[N@@H+](CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C[C@H](C)O ZINC000736149070 598416076 /nfs/dbraw/zinc/41/60/76/598416076.db2.gz RGGUEHZGJKFCCB-LBPRGKRZSA-N 1 0 392.529 2.227 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000736170552 598455062 /nfs/dbraw/zinc/45/50/62/598455062.db2.gz QOFCSXMSLHEPDY-DOTOQJQBSA-N 1 0 384.484 2.111 20 0 GEADRO CN(CC[N@H+](C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000736798661 598470154 /nfs/dbraw/zinc/47/01/54/598470154.db2.gz FEEBSNUFENIKGW-LJQANCHMSA-N 1 0 391.479 2.040 20 0 GEADRO CCOCC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000736617713 598470214 /nfs/dbraw/zinc/47/02/14/598470214.db2.gz 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391.479 2.174 20 0 GEADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824776442 607429793 /nfs/dbraw/zinc/42/97/93/607429793.db2.gz ASTJUBYDEXELEW-LBPRGKRZSA-N 1 0 383.481 2.279 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000820164833 607432717 /nfs/dbraw/zinc/43/27/17/607432717.db2.gz LZIFNICYFXLJQH-HNNXBMFYSA-N 1 0 385.472 2.356 20 0 GEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000738771153 600291530 /nfs/dbraw/zinc/29/15/30/600291530.db2.gz NYQMMKWQPNAKTE-HXUWFJFHSA-N 1 0 399.535 2.262 20 0 GEADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000738771144 600294155 /nfs/dbraw/zinc/29/41/55/600294155.db2.gz NVFNLNZVPJCORV-FQEVSTJZSA-N 1 0 399.535 2.216 20 0 GEADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000738771146 600294266 /nfs/dbraw/zinc/29/42/66/600294266.db2.gz NVFNLNZVPJCORV-HXUWFJFHSA-N 1 0 399.535 2.216 20 0 GEADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)CC2)cc1 ZINC000738598636 600300153 /nfs/dbraw/zinc/30/01/53/600300153.db2.gz VPDSCRHZBOTENA-FQEVSTJZSA-N 1 0 399.535 2.216 20 0 GEADRO Cc1oc(NC(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)c(-c2nn[nH]n2)c1C ZINC000822548529 607453236 /nfs/dbraw/zinc/45/32/36/607453236.db2.gz LUMQVTAEQRYGNO-OAHLLOKOSA-N 1 0 388.472 2.439 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000826181858 607464855 /nfs/dbraw/zinc/46/48/55/607464855.db2.gz QAIODCIAPVXKMJ-GFCCVEGCSA-N 1 0 376.461 2.220 20 0 GEADRO O=C([O-])c1ccc(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000833321018 600818461 /nfs/dbraw/zinc/81/84/61/600818461.db2.gz FKTHYRPXNDNDTR-UHFFFAOYSA-N 1 0 382.888 2.461 20 0 GEADRO Fc1ccc(N2CCN(CC[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000822778653 607474530 /nfs/dbraw/zinc/47/45/30/607474530.db2.gz LTSDIXCWRNWWQH-UHFFFAOYSA-N 1 0 399.449 2.057 20 0 GEADRO O=S(=O)(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)Cc1ccccc1 ZINC000823557827 607476424 /nfs/dbraw/zinc/47/64/24/607476424.db2.gz RQOJMGVBPLYJIV-UHFFFAOYSA-N 1 0 389.456 2.101 20 0 GEADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000822741510 607481191 /nfs/dbraw/zinc/48/11/91/607481191.db2.gz YCKVRJXMQQQRNX-IBGZPJMESA-N 1 0 396.470 2.039 20 0 GEADRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000823980633 607498346 /nfs/dbraw/zinc/49/83/46/607498346.db2.gz GFVCYBHSRJQZFN-IBGZPJMESA-N 1 0 383.500 2.265 20 0 GEADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000824507902 607498744 /nfs/dbraw/zinc/49/87/44/607498744.db2.gz ZUSLOSYBTVRYRI-CYBMUJFWSA-N 1 0 387.488 2.387 20 0 GEADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823066459 607503144 /nfs/dbraw/zinc/50/31/44/607503144.db2.gz ZSQITPSCZAFLRW-QAPCUYQASA-N 1 0 398.536 2.434 20 0 GEADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000822930209 607502240 /nfs/dbraw/zinc/50/22/40/607502240.db2.gz YPNLJHSVFKMLPC-TZQLFLEQSA-N 1 0 378.480 2.355 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000821761958 607507641 /nfs/dbraw/zinc/50/76/41/607507641.db2.gz HQDIQGAKVDIDKB-AWEZNQCLSA-N 1 0 387.488 2.365 20 0 GEADRO CC(=O)C(C)(C)CCC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823962819 607509327 /nfs/dbraw/zinc/50/93/27/607509327.db2.gz PKMIKJKMCJRJMY-UHFFFAOYSA-N 1 0 386.500 2.152 20 0 GEADRO COc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1-c1nn[nH]n1 ZINC000826194440 607513614 /nfs/dbraw/zinc/51/36/14/607513614.db2.gz LSJORJGKILDFPX-QGZVFWFLSA-N 1 0 387.484 2.425 20 0 GEADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1)Nc1ccccc1 ZINC000826435593 607518409 /nfs/dbraw/zinc/51/84/09/607518409.db2.gz RPEMUCLBJICGAK-QGZVFWFLSA-N 1 0 392.467 2.438 20 0 GEADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000824505482 607522967 /nfs/dbraw/zinc/52/29/67/607522967.db2.gz DXTLKHAHDYZGGL-HIFRSBDPSA-N 1 0 387.488 2.387 20 0 GEADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000826000716 601844380 /nfs/dbraw/zinc/84/43/80/601844380.db2.gz QIQFBYHQMBOJHA-FXAWDEMLSA-N 1 0 387.524 2.342 20 0 GEADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000832978947 602228771 /nfs/dbraw/zinc/22/87/71/602228771.db2.gz GBLCQZONSXYBTD-LJQANCHMSA-N 1 0 375.513 2.165 20 0 GEADRO Cc1nccn1CCCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826331172 607563159 /nfs/dbraw/zinc/56/31/59/607563159.db2.gz XTLOAUQULJGCRS-UHFFFAOYSA-N 1 0 384.463 2.113 20 0 GEADRO Cc1nccn1CCCC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826330673 607563171 /nfs/dbraw/zinc/56/31/71/607563171.db2.gz CTXGZCUCQVADGK-UHFFFAOYSA-N 1 0 394.527 2.360 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000826202958 607568538 /nfs/dbraw/zinc/56/85/38/607568538.db2.gz UGYJJZNKHOEBEZ-BEFAXECRSA-N 1 0 378.480 2.485 20 0 GEADRO COc1ccc(C[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)cc1-c1nn[nH]n1 ZINC000826202951 607569622 /nfs/dbraw/zinc/56/96/22/607569622.db2.gz TZVNCBCGOXCOOJ-UHFFFAOYSA-N 1 0 398.858 2.409 20 0 GEADRO CC(C)(CO)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000824163132 607570211 /nfs/dbraw/zinc/57/02/11/607570211.db2.gz YYGYFGVLNTUJLX-SFHVURJKSA-N 1 0 391.479 2.406 20 0 GEADRO C[N@H+](CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)C1CCCCC1 ZINC000825941850 607600499 /nfs/dbraw/zinc/60/04/99/607600499.db2.gz PHEKQEGVPLUNSE-UHFFFAOYSA-N 1 0 398.920 2.063 20 0 GEADRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000826196467 607608263 /nfs/dbraw/zinc/60/82/63/607608263.db2.gz CYUJUUNNAFBERX-GOSISDBHSA-N 1 0 392.463 2.156 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000826181734 607627068 /nfs/dbraw/zinc/62/70/68/607627068.db2.gz LWWWJFNKSCUZFR-UHFFFAOYSA-N 1 0 376.461 2.222 20 0 GEADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NCC[N@H+](C)C(C)C)s1 ZINC000444176536 649939225 /nfs/dbraw/zinc/93/92/25/649939225.db2.gz PSEJYSWRZRUZAF-UHFFFAOYSA-N 1 0 389.587 2.071 20 0 GEADRO CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000825381098 607704017 /nfs/dbraw/zinc/70/40/17/607704017.db2.gz ZLUJJZAGWZCOGQ-HOCLYGCPSA-N 1 0 379.468 2.492 20 0 GEADRO C[C@@H](C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1)C(=O)[O-] ZINC000827449929 604744950 /nfs/dbraw/zinc/74/49/50/604744950.db2.gz RCBWYEJOILZBRO-HNNXBMFYSA-N 1 0 391.537 2.359 20 0 GEADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCC(=O)[O-])C[C@H]2C)C1 ZINC000833550593 605045293 /nfs/dbraw/zinc/04/52/93/605045293.db2.gz XJRFZAFUJFHJGE-LMMKCTJWSA-N 1 0 388.512 2.012 20 0 GEADRO COc1cccc(OCC[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826217495 607737552 /nfs/dbraw/zinc/73/75/52/607737552.db2.gz PCIKCBFGIHPEAN-UHFFFAOYSA-N 1 0 394.479 2.466 20 0 GEADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000833618962 605204413 /nfs/dbraw/zinc/20/44/13/605204413.db2.gz HNHAJQLCQVNXHU-SJLPKXTDSA-N 1 0 391.487 2.045 20 0 GEADRO COc1ccccc1N1CC[C@@H](C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)C1 ZINC000833736447 605222446 /nfs/dbraw/zinc/22/24/46/605222446.db2.gz KAKXSTQISMAJHM-KRWDZBQOSA-N 1 0 375.513 2.440 20 0 GEADRO O=C([O-])CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000833773361 605223696 /nfs/dbraw/zinc/22/36/96/605223696.db2.gz LWAWXMPCPUNSFK-MRXNPFEDSA-N 1 0 398.887 2.063 20 0 GEADRO C[C@H]1CN([C@@H](C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)c2cccs2)CCO1 ZINC000833626002 605224546 /nfs/dbraw/zinc/22/45/46/605224546.db2.gz NVGLDIOPVBVQKP-WMZOPIPTSA-N 1 0 395.569 2.429 20 0 GEADRO O=C([O-])NC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000834220339 605600233 /nfs/dbraw/zinc/60/02/33/605600233.db2.gz GUTUQHFJZPRMLK-HKUYNNGSSA-N 1 0 375.517 2.010 20 0 GEADRO O=C(NCC[NH+]1CCC1)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1 ZINC000826437635 607765926 /nfs/dbraw/zinc/76/59/26/607765926.db2.gz UYNLEPYOJXIISM-UHFFFAOYSA-N 1 0 380.477 2.453 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)Cc1ccccc1 ZINC000445253992 649960221 /nfs/dbraw/zinc/96/02/21/649960221.db2.gz YCQZZLIWEGCDCK-ZDUSSCGKSA-N 1 0 378.270 2.452 20 0 GEADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1O ZINC000821795309 606076947 /nfs/dbraw/zinc/07/69/47/606076947.db2.gz XGIRADFXANSPOA-UHFFFAOYSA-N 1 0 382.424 2.042 20 0 GEADRO c1cnn(C[C@@H]([NH2+]CCOc2ccccc2-c2nn[nH]n2)c2ccccc2)c1 ZINC000823771915 606084410 /nfs/dbraw/zinc/08/44/10/606084410.db2.gz FIXPFYSMVXTMNC-GOSISDBHSA-N 1 0 375.436 2.473 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(c2nc3ccccc3cc2-c2nn[nH]n2)C1 ZINC000821188929 606098464 /nfs/dbraw/zinc/09/84/64/606098464.db2.gz GPKLWIOAMSNYGE-MRXNPFEDSA-N 1 0 381.484 2.352 20 0 GEADRO C[C@@H](CCNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000820241912 606103665 /nfs/dbraw/zinc/10/36/65/606103665.db2.gz JWILPWASAIORJU-INIZCTEOSA-N 1 0 394.479 2.272 20 0 GEADRO C[C@H](CCNC(=O)CNc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000820243009 606110081 /nfs/dbraw/zinc/11/00/81/606110081.db2.gz SVMYAJQNDBRWKH-MRXNPFEDSA-N 1 0 393.495 2.305 20 0 GEADRO Cc1sc(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)c(-c2nn[nH]n2)c1C ZINC000822559161 606110643 /nfs/dbraw/zinc/11/06/43/606110643.db2.gz WMKBSNPWEPTYCF-CQSZACIVSA-N 1 0 389.529 2.044 20 0 GEADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000821608681 606132903 /nfs/dbraw/zinc/13/29/03/606132903.db2.gz QHTCCJYMOSMZDN-UHFFFAOYSA-N 1 0 375.396 2.111 20 0 GEADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000821584672 606151641 /nfs/dbraw/zinc/15/16/41/606151641.db2.gz NMSHREIZYNYCDH-UHFFFAOYSA-N 1 0 382.428 2.079 20 0 GEADRO COc1cc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc(OC)c1 ZINC000821717204 606160288 /nfs/dbraw/zinc/16/02/88/606160288.db2.gz KUKNTEMCDZHVNH-UHFFFAOYSA-N 1 0 394.479 2.202 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254114 606184145 /nfs/dbraw/zinc/18/41/45/606184145.db2.gz JXMKUQBSOATYLX-SMDDNHRTSA-N 1 0 391.545 2.146 20 0 GEADRO CCN(C[C@H]1CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1)CC(F)(F)F ZINC000821197842 606191260 /nfs/dbraw/zinc/19/12/60/606191260.db2.gz MKKGGIOMHKWXBO-CQSZACIVSA-N 1 0 398.433 2.452 20 0 GEADRO Cc1sc(NC(=O)CN2CC[NH+](C3CCCC3)CC2)c(-c2nn[nH]n2)c1C ZINC000822558201 606200992 /nfs/dbraw/zinc/20/09/92/606200992.db2.gz MUOOPAKDSWUOPD-UHFFFAOYSA-N 1 0 389.529 2.044 20 0 GEADRO Cc1ccc([C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)N2CCOCC2)cc1 ZINC000822230759 606211900 /nfs/dbraw/zinc/21/19/00/606211900.db2.gz PRDDFOXJOFSSPD-SFHVURJKSA-N 1 0 384.509 2.400 20 0 GEADRO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)cs1)N1CCCC1 ZINC000822911889 606216459 /nfs/dbraw/zinc/21/64/59/606216459.db2.gz CMGKCLPLKDDJLU-QGZVFWFLSA-N 1 0 382.493 2.252 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1cc(Cl)c2c(c1)OCCO2 ZINC000823681273 606222446 /nfs/dbraw/zinc/22/24/46/606222446.db2.gz CUODCBZLLFEFPC-ZDUSSCGKSA-N 1 0 393.856 2.176 20 0 GEADRO O=C1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000823519908 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CKAOTCAAOSRNOG-KXBFYZLASA-N 1 0 394.479 2.191 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000445738821 649965183 /nfs/dbraw/zinc/96/51/83/649965183.db2.gz BCXRIQVUTHZUPR-QWHCGFSZSA-N 1 0 395.472 2.301 20 0 GEADRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820643650 606335532 /nfs/dbraw/zinc/33/55/32/606335532.db2.gz YAMDTUNCTJFVDY-KXBFYZLASA-N 1 0 376.464 2.361 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000820032375 606365789 /nfs/dbraw/zinc/36/57/89/606365789.db2.gz MVLZQHHNBWUYHU-GOSISDBHSA-N 1 0 395.467 2.365 20 0 GEADRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000820870482 606375921 /nfs/dbraw/zinc/37/59/21/606375921.db2.gz SZHPXZPYDDGGPT-CQSZACIVSA-N 1 0 382.472 2.359 20 0 GEADRO Cc1ccc(NC(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)cc1S(N)(=O)=O ZINC000445893679 649966065 /nfs/dbraw/zinc/96/60/65/649966065.db2.gz LZFWNNYZNHOPBZ-GFCCVEGCSA-N 1 0 381.420 2.148 20 0 GEADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000822660000 606409819 /nfs/dbraw/zinc/40/98/19/606409819.db2.gz SUMPQXZWOFBMED-INIZCTEOSA-N 1 0 380.452 2.274 20 0 GEADRO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000823175645 606413138 /nfs/dbraw/zinc/41/31/38/606413138.db2.gz LIIBIPFJWZWYHX-OAHLLOKOSA-N 1 0 398.492 2.127 20 0 GEADRO COc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc(OC)c1 ZINC000821720432 606416753 /nfs/dbraw/zinc/41/67/53/606416753.db2.gz RLODEPBXZLIADS-GFCCVEGCSA-N 1 0 382.424 2.173 20 0 GEADRO CC(C)(C)OC(=O)N1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819933574 606428882 /nfs/dbraw/zinc/42/88/82/606428882.db2.gz WSLKKYXNJTVCSC-UHFFFAOYSA-N 1 0 388.472 2.235 20 0 GEADRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)sn1 ZINC000822208451 606437800 /nfs/dbraw/zinc/43/78/00/606437800.db2.gz SKFBYSHREKQLQF-UHFFFAOYSA-N 1 0 386.485 2.227 20 0 GEADRO Clc1ccc2ncc(-c3nn[nH]n3)c(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000822582503 606440751 /nfs/dbraw/zinc/44/07/51/606440751.db2.gz VKSNDGVNVKOVIO-CQSZACIVSA-N 1 0 399.886 2.369 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000821266487 606475296 /nfs/dbraw/zinc/47/52/96/606475296.db2.gz DZIKLZVEWNGFIA-INIZCTEOSA-N 1 0 395.467 2.027 20 0 GEADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821276087 606483263 /nfs/dbraw/zinc/48/32/63/606483263.db2.gz GZEKVSLUXPTEHW-UHFFFAOYSA-N 1 0 383.481 2.322 20 0 GEADRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1OC(F)F)CC2 ZINC000821653461 606490665 /nfs/dbraw/zinc/49/06/65/606490665.db2.gz BTZHDPRNJDFUHZ-CYBMUJFWSA-N 1 0 393.394 2.243 20 0 GEADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000822207089 606494186 /nfs/dbraw/zinc/49/41/86/606494186.db2.gz KJXUGJILQJMYGE-UHFFFAOYSA-N 1 0 383.481 2.241 20 0 GEADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000822015439 606504444 /nfs/dbraw/zinc/50/44/44/606504444.db2.gz JOHLGSXWVXOIRN-BETUJISGSA-N 1 0 397.483 2.453 20 0 GEADRO CN(C(=O)c1ccc(-c2nn[nH]n2)s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821573475 606542410 /nfs/dbraw/zinc/54/24/10/606542410.db2.gz RHAJMKGXTKSJGF-UHFFFAOYSA-N 1 0 397.508 2.102 20 0 GEADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821596496 606577804 /nfs/dbraw/zinc/57/78/04/606577804.db2.gz LUCCLTMWJYHOBR-IBGZPJMESA-N 1 0 390.491 2.390 20 0 GEADRO O=C(CCc1ccoc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822983534 606606549 /nfs/dbraw/zinc/60/65/49/606606549.db2.gz PTPGSMIWHHHLLC-UHFFFAOYSA-N 1 0 380.452 2.127 20 0 GEADRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821572034 606616404 /nfs/dbraw/zinc/61/64/04/606616404.db2.gz OYHFLKKKFALZDK-OAHLLOKOSA-N 1 0 388.472 2.187 20 0 GEADRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821572125 606616593 /nfs/dbraw/zinc/61/65/93/606616593.db2.gz SCNXXYAUZVPUJC-HNNXBMFYSA-N 1 0 388.472 2.187 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000820033607 606624401 /nfs/dbraw/zinc/62/44/01/606624401.db2.gz XOWKEOBTFVERLX-DEYYWGMASA-N 1 0 384.484 2.012 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1-c1nn[nH]n1 ZINC000821808439 606630553 /nfs/dbraw/zinc/63/05/53/606630553.db2.gz GRNSJOJMBIGTFE-INIZCTEOSA-N 1 0 398.854 2.424 20 0 GEADRO c1ccc(CN2CCC([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823780195 606644109 /nfs/dbraw/zinc/64/41/09/606644109.db2.gz PNJJWCHRGIXVRI-UHFFFAOYSA-N 1 0 378.480 2.500 20 0 GEADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000823078636 606657850 /nfs/dbraw/zinc/65/78/50/606657850.db2.gz PYYHVJNSOKOJTP-UHFFFAOYSA-N 1 0 392.463 2.005 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccc(F)c1 ZINC000821579483 606662660 /nfs/dbraw/zinc/66/26/60/606662660.db2.gz CIEBIRUUSNSWAV-HNNXBMFYSA-N 1 0 390.369 2.317 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C1CCCCC1 ZINC000821579428 606669415 /nfs/dbraw/zinc/66/94/15/606669415.db2.gz ANHBQASVXUFEII-OAHLLOKOSA-N 1 0 378.427 2.385 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821002219 606685731 /nfs/dbraw/zinc/68/57/31/606685731.db2.gz VBSFOBUPEOPYKW-OLZOCXBDSA-N 1 0 376.411 2.234 20 0 GEADRO Fc1cccc(F)c1N1CC[C@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000822792247 606729671 /nfs/dbraw/zinc/72/96/71/606729671.db2.gz SLVSMROSYXMREB-ZDUSSCGKSA-N 1 0 396.405 2.161 20 0 GEADRO Fc1cccc(F)c1N1CC[C@@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000822792246 606729830 /nfs/dbraw/zinc/72/98/30/606729830.db2.gz SLVSMROSYXMREB-CYBMUJFWSA-N 1 0 396.405 2.161 20 0 GEADRO O=C1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCN1c1c(F)cccc1F ZINC000823511878 606733849 /nfs/dbraw/zinc/73/38/49/606733849.db2.gz IMBVKCOSGUTCFB-ZDUSSCGKSA-N 1 0 376.392 2.102 20 0 GEADRO CN1CCO[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)C[C@H]21 ZINC000821628717 606761752 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NUXNIHCMODTANJ-XJKSGUPXSA-N 1 0 387.488 2.459 20 0 GEADRO CCOc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)O[C@H](C)C2 ZINC000821401333 606846072 /nfs/dbraw/zinc/84/60/72/606846072.db2.gz WCQVYEPQWMVLKX-FZKQIMNGSA-N 1 0 395.463 2.412 20 0 GEADRO O=C(Nc1ccccc1)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823367005 606851346 /nfs/dbraw/zinc/85/13/46/606851346.db2.gz CSUNHMBKQJHCSA-LJQANCHMSA-N 1 0 392.463 2.251 20 0 GEADRO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1COc2ccccc2O1 ZINC000821600491 606883339 /nfs/dbraw/zinc/88/33/39/606883339.db2.gz ORRJFMUZIPTHPG-KRWDZBQOSA-N 1 0 381.436 2.407 20 0 GEADRO CC(C)N(C)C(=O)C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820112176 606884593 /nfs/dbraw/zinc/88/45/93/606884593.db2.gz LCWROCYDVCOAPS-UHFFFAOYSA-N 1 0 386.500 2.214 20 0 GEADRO O=C(CC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)NC1CCCC1 ZINC000822946454 606888493 /nfs/dbraw/zinc/88/84/93/606888493.db2.gz XWZUABMNDYDUFS-IBGZPJMESA-N 1 0 398.511 2.061 20 0 GEADRO 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390.311 2.469 20 0 GEADRO C[C@H](C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)CS(C)(=O)=O ZINC000452024452 650167367 /nfs/dbraw/zinc/16/73/67/650167367.db2.gz PUJUPWCOBOXRDQ-VNQPRFMTSA-N 1 0 378.460 2.287 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000452051437 650169530 /nfs/dbraw/zinc/16/95/30/650169530.db2.gz UEFXVUOKMBUYQM-UHFFFAOYSA-N 1 0 391.940 2.315 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452135939 650175518 /nfs/dbraw/zinc/17/55/18/650175518.db2.gz WXPZNMDJIBEGGD-OAHLLOKOSA-N 1 0 399.329 2.381 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cn1cc(Br)ccc1=O ZINC000452342358 650180384 /nfs/dbraw/zinc/18/03/84/650180384.db2.gz HFYCFEFQSXSIEA-HNNXBMFYSA-N 1 0 384.318 2.238 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(Br)c1 ZINC000452343757 650180398 /nfs/dbraw/zinc/18/03/98/650180398.db2.gz BQIPDXGDGTXTFP-CABCVRRESA-N 1 0 399.329 2.488 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000452341971 650180405 /nfs/dbraw/zinc/18/04/05/650180405.db2.gz KHJOPCPQTVGZED-HNNXBMFYSA-N 1 0 387.571 2.043 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452361688 650181985 /nfs/dbraw/zinc/18/19/85/650181985.db2.gz KBNVJBLJSLGSCP-DZGCQCFKSA-N 1 0 385.302 2.179 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C1(c2ccccc2Br)CC1 ZINC000452375722 650183093 /nfs/dbraw/zinc/18/30/93/650183093.db2.gz JSKQHVDBEKHBCA-CQSZACIVSA-N 1 0 381.314 2.444 20 0 GEADRO O=C(CCc1cc(Br)cs1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452389949 650183809 /nfs/dbraw/zinc/18/38/09/650183809.db2.gz NDKPMICFGSKKQK-CYBMUJFWSA-N 1 0 375.332 2.406 20 0 GEADRO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452803776 650198366 /nfs/dbraw/zinc/19/83/66/650198366.db2.gz YEGYLHJSTMHRRH-ZDUSSCGKSA-N 1 0 377.432 2.156 20 0 GEADRO C[N@H+](C[C@@H](O)CN1C(=O)C[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000453025281 650204154 /nfs/dbraw/zinc/20/41/54/650204154.db2.gz DNFXVEKHFYLNHZ-ACJLOTCBSA-N 1 0 385.291 2.465 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(F)c(I)c1 ZINC000453105154 650205681 /nfs/dbraw/zinc/20/56/81/650205681.db2.gz FFRMZKZUHIRCHJ-AAEUAGOBSA-N 1 0 391.272 2.327 20 0 GEADRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000453184401 650206578 /nfs/dbraw/zinc/20/65/78/650206578.db2.gz ZSYLWIBYFSUPQV-BBRMVZONSA-N 1 0 382.917 2.034 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000453275463 650207610 /nfs/dbraw/zinc/20/76/10/650207610.db2.gz FFQXHBLBQCIRCY-RNCFNFMXSA-N 1 0 379.295 2.493 20 0 GEADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000453274640 650207700 /nfs/dbraw/zinc/20/77/00/650207700.db2.gz KODNBYHGXDPXTD-SCLBCKFNSA-N 1 0 380.535 2.243 20 0 GEADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453312644 650207885 /nfs/dbraw/zinc/20/78/85/650207885.db2.gz HDRAAFSEKXESHG-IMSIIYSGSA-N 1 0 397.324 2.343 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000453347839 650208492 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Cc1ncc(Br)cc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000453698440 650216926 /nfs/dbraw/zinc/21/69/26/650216926.db2.gz YACVMUPITURKLR-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000453742768 650221919 /nfs/dbraw/zinc/22/19/19/650221919.db2.gz KWAMUYDLBXBBQS-FZMZJTMJSA-N 1 0 395.301 2.176 20 0 GEADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453751587 650222667 /nfs/dbraw/zinc/22/26/67/650222667.db2.gz TXLARGYPQGCJCE-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000454066074 650250622 /nfs/dbraw/zinc/25/06/22/650250622.db2.gz HMILONKDWYCWFF-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000454081227 650251112 /nfs/dbraw/zinc/25/11/12/650251112.db2.gz CIKBQUNFRKKKHK-GFCCVEGCSA-N 1 0 386.265 2.468 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454083942 650251491 /nfs/dbraw/zinc/25/14/91/650251491.db2.gz DNKWYYXWUJFDQC-CYBMUJFWSA-N 1 0 383.290 2.032 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000454101005 650253203 /nfs/dbraw/zinc/25/32/03/650253203.db2.gz OJMDOPJMLRAHOH-NSHDSACASA-N 1 0 378.420 2.128 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000454118205 650254863 /nfs/dbraw/zinc/25/48/63/650254863.db2.gz YGJRTNFDPQOFLJ-HNNXBMFYSA-N 1 0 394.313 2.279 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000454640149 650274308 /nfs/dbraw/zinc/27/43/08/650274308.db2.gz JHOWQQJPFAWVGV-ZFWWWQNUSA-N 1 0 387.933 2.286 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000454843337 650280432 /nfs/dbraw/zinc/28/04/32/650280432.db2.gz SYBAHANIVSBUJQ-AWEZNQCLSA-N 1 0 387.571 2.461 20 0 GEADRO CC1CC[NH+](CCCNC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000455163691 650292978 /nfs/dbraw/zinc/29/29/78/650292978.db2.gz SMTXAJLINCTHCU-UHFFFAOYSA-N 1 0 399.333 2.032 20 0 GEADRO C[C@@H](CNC(=O)NCc1c(Br)cncc1Br)[NH+](C)C ZINC000455220382 650296023 /nfs/dbraw/zinc/29/60/23/650296023.db2.gz YBTDKRIKAYQXGS-QMMMGPOBSA-N 1 0 394.111 2.356 20 0 GEADRO C[C@@H](CNC(=O)NCCC(=O)N(C)Cc1ccccc1Br)[NH+](C)C ZINC000455424368 650303960 /nfs/dbraw/zinc/30/39/60/650303960.db2.gz BCCBLTVPHBLUQA-ZDUSSCGKSA-N 1 0 399.333 2.047 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000455447464 650304345 /nfs/dbraw/zinc/30/43/45/650304345.db2.gz ZKHDMBXFYDLLKB-LBPRGKRZSA-N 1 0 385.306 2.335 20 0 GEADRO Cc1nc(CNC(=O)Nc2ccnn2CC[NH+](C)C)sc1Br ZINC000455651715 650311246 /nfs/dbraw/zinc/31/12/46/650311246.db2.gz XEDIDIOUTPCVQO-UHFFFAOYSA-N 1 0 387.307 2.294 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](c2nccs2)C(F)(F)F)C1 ZINC000455662481 650312110 /nfs/dbraw/zinc/31/21/10/650312110.db2.gz ROCSLNPLWVTAAP-NEPJUHHUSA-N 1 0 380.436 2.403 20 0 GEADRO Cc1csc([C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C(F)(F)F)n1 ZINC000455706998 650313689 /nfs/dbraw/zinc/31/36/89/650313689.db2.gz PYIKPVASFUMFJV-VXGBXAGGSA-N 1 0 380.436 2.201 20 0 GEADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(I)cc1OC ZINC000455732088 650314727 /nfs/dbraw/zinc/31/47/27/650314727.db2.gz HIQJAGCNHVKAPK-UHFFFAOYSA-N 1 0 377.226 2.419 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455857744 650322357 /nfs/dbraw/zinc/32/23/57/650322357.db2.gz IMTPKYVSHQXXNE-ZDUSSCGKSA-N 1 0 395.305 2.878 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000455804406 650318760 /nfs/dbraw/zinc/31/87/60/650318760.db2.gz PETBXDQGSZQSKD-CQSZACIVSA-N 1 0 385.306 2.367 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(I)cn1 ZINC000456055613 650328909 /nfs/dbraw/zinc/32/89/09/650328909.db2.gz STOKADMMJYUFCH-BXUZGUMPSA-N 1 0 385.249 2.385 20 0 GEADRO Cn1cc(I)c(CNC(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000456510128 650345509 /nfs/dbraw/zinc/34/55/09/650345509.db2.gz RLUYKVUUWJXPNC-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO CC[C@@H](C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456709961 650356380 /nfs/dbraw/zinc/35/63/80/650356380.db2.gz GBIXGHAOMXEPIM-DOMZBBRYSA-N 1 0 375.282 2.196 20 0 GEADRO CC[NH+](CC)CC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456709951 650356557 /nfs/dbraw/zinc/35/65/57/650356557.db2.gz GAGYUCYJQIRCQX-CYBMUJFWSA-N 1 0 375.282 2.197 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC(C)(C)C[NH+](C)C ZINC000457214701 650374154 /nfs/dbraw/zinc/37/41/54/650374154.db2.gz XNESCSOPAJLUMB-VIFPVBQESA-N 1 0 376.320 2.085 20 0 GEADRO C[NH+](C)CCOc1cccc(NC(=O)Cn2cc(Br)ccc2=O)c1 ZINC000500292681 650374525 /nfs/dbraw/zinc/37/45/25/650374525.db2.gz HLJAPAHMRQFLTF-UHFFFAOYSA-N 1 0 394.269 2.190 20 0 GEADRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1OC(F)F ZINC000500563071 650380438 /nfs/dbraw/zinc/38/04/38/650380438.db2.gz WHAXSOHWPAKBNF-OLZOCXBDSA-N 1 0 378.441 2.104 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c(F)cc1Br ZINC000500456172 650377594 /nfs/dbraw/zinc/37/75/94/650377594.db2.gz 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ZINC000500501046 650379877 /nfs/dbraw/zinc/37/98/77/650379877.db2.gz SUPAJLUFZSRJTG-GXTWGEPZSA-N 1 0 391.331 2.265 20 0 GEADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NCC[NH+]1CCC1 ZINC000500853202 650383697 /nfs/dbraw/zinc/38/36/97/650383697.db2.gz OKIVJPWERYTUEX-UHFFFAOYSA-N 1 0 385.287 2.315 20 0 GEADRO O=C(NCc1cc(Br)ccc1F)NC[C@H]1CCC[N@H+]1CCCO ZINC000457776831 650384383 /nfs/dbraw/zinc/38/43/83/650384383.db2.gz QCRANBDWWQTQNS-CQSZACIVSA-N 1 0 388.281 2.234 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000500904908 650384636 /nfs/dbraw/zinc/38/46/36/650384636.db2.gz HSJWAEYADQVONO-UHFFFAOYSA-N 1 0 398.345 2.230 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000501256112 650388559 /nfs/dbraw/zinc/38/85/59/650388559.db2.gz ZZSXTRCXKIKTRQ-LSDHHAIUSA-N 1 0 387.571 2.138 20 0 GEADRO CC(C)OC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000501449701 650392479 /nfs/dbraw/zinc/39/24/79/650392479.db2.gz ZNTOWMJEIKTOIV-GXTWGEPZSA-N 1 0 393.265 2.434 20 0 GEADRO 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Cc1ccc(Br)cc1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000502694005 650410257 /nfs/dbraw/zinc/41/02/57/650410257.db2.gz LEBQKDVCDYHEID-KBPBESRZSA-N 1 0 384.318 2.354 20 0 GEADRO CC(C)(CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)[NH+]1CCCCC1 ZINC000502940875 650413104 /nfs/dbraw/zinc/41/31/04/650413104.db2.gz RLSYPZFJYZBEAY-UHFFFAOYSA-N 1 0 393.962 2.061 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@H]1[NH+](C)C ZINC000503223643 650416443 /nfs/dbraw/zinc/41/64/43/650416443.db2.gz OCZHRKIGNCMNLH-CHWSQXEVSA-N 1 0 397.335 2.254 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@H]1[NH+](C)C ZINC000503205679 650415628 /nfs/dbraw/zinc/41/56/28/650415628.db2.gz CLNOLMXWZPWXNM-ZIAGYGMSSA-N 1 0 383.564 2.476 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000459019587 650417349 /nfs/dbraw/zinc/41/73/49/650417349.db2.gz LVQFSKUXIBYQOH-UHFFFAOYSA-N 1 0 384.322 2.200 20 0 GEADRO C[C@@H](CNC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[NH+](C)C ZINC000459047398 650418217 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CCOc1cc(C[NH2+][C@H](C)CCS(C)(=O)=O)cc(Br)c1O ZINC000459433892 650424257 /nfs/dbraw/zinc/42/42/57/650424257.db2.gz BTRPAXRXILFXQR-SNVBAGLBSA-N 1 0 380.304 2.466 20 0 GEADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459442485 650424484 /nfs/dbraw/zinc/42/44/84/650424484.db2.gz LYNUOIUVQSTCEH-UHFFFAOYSA-N 1 0 389.315 2.201 20 0 GEADRO CCOc1cc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc(Br)c1O ZINC000459478221 650425529 /nfs/dbraw/zinc/42/55/29/650425529.db2.gz KKDJVHUHESPUGK-UHFFFAOYSA-N 1 0 380.304 2.466 20 0 GEADRO CCOc1cc(CN2CCC[N@@H+]([C@@H](C)CO)CC2)cc(Br)c1O ZINC000459496846 650426010 /nfs/dbraw/zinc/42/60/10/650426010.db2.gz QFJWXXWJXDSIAM-ZDUSSCGKSA-N 1 0 387.318 2.442 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000504062696 650426628 /nfs/dbraw/zinc/42/66/28/650426628.db2.gz LQYDRJGAOLKLHM-BZUAXINKSA-N 1 0 382.302 2.409 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H](CO)c1ccc(Br)cc1 ZINC000504072070 650426750 /nfs/dbraw/zinc/42/67/50/650426750.db2.gz YFLLMOSGPIYACS-MLGOLLRUSA-N 1 0 382.302 2.266 20 0 GEADRO CN(C)S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000459530031 650427510 /nfs/dbraw/zinc/42/75/10/650427510.db2.gz AWTRZOKSAVWALQ-CABCVRRESA-N 1 0 379.448 2.327 20 0 GEADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCNS(=O)(=O)N(C)C ZINC000459529998 650427511 /nfs/dbraw/zinc/42/75/11/650427511.db2.gz AORJRWYOLYHMLH-OAHLLOKOSA-N 1 0 392.363 2.146 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C1CC1 ZINC000504363066 650429974 /nfs/dbraw/zinc/42/99/74/650429974.db2.gz SFEMBWFQECNBRJ-LBPRGKRZSA-N 1 0 375.803 2.336 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)Cn1ccnn1 ZINC000459706025 650430600 /nfs/dbraw/zinc/43/06/00/650430600.db2.gz INVYHYHKIYLGIW-NSHDSACASA-N 1 0 379.180 2.210 20 0 GEADRO COc1cc(Br)ccc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459720472 650431549 /nfs/dbraw/zinc/43/15/49/650431549.db2.gz VAHHWNGLSWRINP-UHFFFAOYSA-N 1 0 399.329 2.429 20 0 GEADRO COCCN1CCC([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000459758483 650432274 /nfs/dbraw/zinc/43/22/74/650432274.db2.gz IDIGSEQITOYXBR-SJORKVTESA-N 1 0 384.318 2.375 20 0 GEADRO COCCNC(=O)C1([NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000459762221 650432447 /nfs/dbraw/zinc/43/24/47/650432447.db2.gz VUVUGVUOZZOAJQ-UHFFFAOYSA-N 1 0 378.270 2.382 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000459924123 650435338 /nfs/dbraw/zinc/43/53/38/650435338.db2.gz DNLVPSIMLRJGRA-MRXNPFEDSA-N 1 0 396.329 2.350 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000459841851 650433528 /nfs/dbraw/zinc/43/35/28/650433528.db2.gz AJACVFYUFFQKST-HNNXBMFYSA-N 1 0 396.329 2.350 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2C)CC1 ZINC000459926083 650435387 /nfs/dbraw/zinc/43/53/87/650435387.db2.gz YRVPDPZABYWSSR-UHFFFAOYSA-N 1 0 396.329 2.270 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)C3(c4ccc(I)cc4)CC3)C[C@H]2C1 ZINC000505096055 650434747 /nfs/dbraw/zinc/43/47/47/650434747.db2.gz FAQZTBYCOFAKBY-BETUJISGSA-N 1 0 396.272 2.343 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000459949593 650436386 /nfs/dbraw/zinc/43/63/86/650436386.db2.gz QVMJIUSEHCOCCP-INIZCTEOSA-N 1 0 396.329 2.350 20 0 GEADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000505353224 650436906 /nfs/dbraw/zinc/43/69/06/650436906.db2.gz OCGRWVSAIOQGDJ-QGZVFWFLSA-N 1 0 375.579 2.158 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)C2)C1 ZINC000505528265 650438468 /nfs/dbraw/zinc/43/84/68/650438468.db2.gz PHDKIWPCJUZXBB-QGZVFWFLSA-N 1 0 385.917 2.269 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccsc2S1(=O)=O ZINC000460131729 650439605 /nfs/dbraw/zinc/43/96/05/650439605.db2.gz PSFJMFDOMCDQPG-ABHRYQDASA-N 1 0 383.539 2.281 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccsc2S1(=O)=O ZINC000460131733 650439629 /nfs/dbraw/zinc/43/96/29/650439629.db2.gz PSFJMFDOMCDQPG-XPCVCDNBSA-N 1 0 383.539 2.281 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccc(Br)cc1 ZINC000460252220 650440619 /nfs/dbraw/zinc/44/06/19/650440619.db2.gz POVLBCQXBPFNBR-UHFFFAOYSA-N 1 0 385.350 2.474 20 0 GEADRO COc1ccc(NC(=O)[C@H](C)[NH3+])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000506663315 650448768 /nfs/dbraw/zinc/44/87/68/650448768.db2.gz VZXIRKFMDAWCQI-JTQLQIEISA-N 1 0 383.857 2.435 20 0 GEADRO CCN1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)[C@H](C)C1 ZINC000507336449 650458750 /nfs/dbraw/zinc/45/87/50/650458750.db2.gz LVTUSCMIFSPUKN-SECBINFHSA-N 1 0 390.228 2.218 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)cc1 ZINC000461799145 650460534 /nfs/dbraw/zinc/46/05/34/650460534.db2.gz CXFCVDQFKVTAIE-UHFFFAOYSA-N 1 0 380.539 2.152 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000507497136 650461508 /nfs/dbraw/zinc/46/15/08/650461508.db2.gz QWEXJVYMEATDRW-UHFFFAOYSA-N 1 0 385.496 2.197 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000461909503 650462366 /nfs/dbraw/zinc/46/23/66/650462366.db2.gz VOEHSLMXIQHSFA-GFCCVEGCSA-N 1 0 377.304 2.124 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)CCc2ccccc2Br)CCC1 ZINC000462059556 650465414 /nfs/dbraw/zinc/46/54/14/650465414.db2.gz RWLDJHVUERCTFJ-UHFFFAOYSA-N 1 0 375.332 2.395 20 0 GEADRO Cn1c(SCC(=O)NCC2(C)CC[NH+](C)CC2)nnc1-c1cccs1 ZINC000507655048 650466169 /nfs/dbraw/zinc/46/61/69/650466169.db2.gz JFQMDNFSTCBKKH-UHFFFAOYSA-N 1 0 379.555 2.484 20 0 GEADRO CN(CC[NH+]1CCCC1)S(=O)(=O)CCc1ccccc1Br ZINC000462084094 650466565 /nfs/dbraw/zinc/46/65/65/650466565.db2.gz LRGRVTHREMOVQH-UHFFFAOYSA-N 1 0 375.332 2.349 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)CCc1ccccc1Br ZINC000462090834 650467205 /nfs/dbraw/zinc/46/72/05/650467205.db2.gz QSCDJZXJCWQURS-CYBMUJFWSA-N 1 0 375.332 2.347 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)CCc1ccccc1Br)C1CC1 ZINC000462091159 650467224 /nfs/dbraw/zinc/46/72/24/650467224.db2.gz ROGAMRROIRNLJO-UHFFFAOYSA-N 1 0 375.332 2.395 20 0 GEADRO Cn1ncc(I)c1C(=O)NCCCCC[NH+]1CCCC1 ZINC000508178672 650476653 /nfs/dbraw/zinc/47/66/53/650476653.db2.gz DJBBAMRROOVNIA-UHFFFAOYSA-N 1 0 390.269 2.021 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(I)c2)CC[N@@H+]1C ZINC000462487767 650481844 /nfs/dbraw/zinc/48/18/44/650481844.db2.gz GGVGSDKRHJHNIA-JQWIXIFHSA-N 1 0 394.278 2.052 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462496722 650481949 /nfs/dbraw/zinc/48/19/49/650481949.db2.gz STEXEYFVXBGTQM-UHFFFAOYSA-N 1 0 385.313 2.249 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)C1 ZINC000462576803 650484779 /nfs/dbraw/zinc/48/47/79/650484779.db2.gz QFKVLLIAQNNLIG-CYBMUJFWSA-N 1 0 388.917 2.479 20 0 GEADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000508977126 650485257 /nfs/dbraw/zinc/48/52/57/650485257.db2.gz JKUFKOLBHKNYCS-STQMWFEESA-N 1 0 375.416 2.385 20 0 GEADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC1CC[NH+](C)CC1 ZINC000509085104 650486424 /nfs/dbraw/zinc/48/64/24/650486424.db2.gz QLVJGDLNQNXORE-UHFFFAOYSA-N 1 0 383.286 2.489 20 0 GEADRO CC[NH+]1CCN(CCC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000462833620 650490833 /nfs/dbraw/zinc/49/08/33/650490833.db2.gz MOCCTNSIFSWBOF-UHFFFAOYSA-N 1 0 396.329 2.028 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc(Br)cc1OCCCO ZINC000463370592 650494334 /nfs/dbraw/zinc/49/43/34/650494334.db2.gz WYFWLYXHRBRKJK-ZFWWWQNUSA-N 1 0 398.301 2.119 20 0 GEADRO COc1cc(C(=O)NC2(CCO)CC[NH+](C)CC2)sc1Br ZINC000509557365 650495870 /nfs/dbraw/zinc/49/58/70/650495870.db2.gz PBIWJSMTVFHNCL-UHFFFAOYSA-N 1 0 377.304 2.096 20 0 GEADRO C[C@@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)s2)[C@@H](C)C[N@@H+]1C ZINC000509592012 650496746 /nfs/dbraw/zinc/49/67/46/650496746.db2.gz MAFQDFCUVVKEBJ-MNOVXSKESA-N 1 0 388.331 2.134 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000468129922 650504342 /nfs/dbraw/zinc/50/43/42/650504342.db2.gz MUZZCVSLSOEZMF-HNNXBMFYSA-N 1 0 382.302 2.026 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467058411 650502089 /nfs/dbraw/zinc/50/20/89/650502089.db2.gz PPXULWFSAFFOMN-XHDPSFHLSA-N 1 0 380.286 2.295 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000468769017 650506761 /nfs/dbraw/zinc/50/67/61/650506761.db2.gz ARPITQASMJFJSS-GXTWGEPZSA-N 1 0 380.286 2.428 20 0 GEADRO CC[N@@H+](CC(=O)Nc1ccc(I)cc1C)C[C@H](C)O ZINC000510108419 650506808 /nfs/dbraw/zinc/50/68/08/650506808.db2.gz KYZWJUOWAHGORB-NSHDSACASA-N 1 0 376.238 2.241 20 0 GEADRO CCn1c2ccc(Br)cc2nc1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000510208092 650508549 /nfs/dbraw/zinc/50/85/49/650508549.db2.gz GOGNPYWCFBOCQE-OAHLLOKOSA-N 1 0 392.301 2.147 20 0 GEADRO C[C@@H]1C[NH+](CCCNCc2ncc(I)s2)C[C@@H](C)O1 ZINC000510253404 650509234 /nfs/dbraw/zinc/50/92/34/650509234.db2.gz HKKKGRIEYTUMBY-GHMZBOCLSA-N 1 0 395.310 2.337 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)CN[C@H](c2ccccc2)C(F)(F)F)CCSC1 ZINC000469332551 650509412 /nfs/dbraw/zinc/50/94/12/650509412.db2.gz KSGSYIHQQJZFCJ-CVEARBPZSA-N 1 0 375.460 2.433 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000470668550 650515194 /nfs/dbraw/zinc/51/51/94/650515194.db2.gz NUMVQYBTYZTCOO-AWEZNQCLSA-N 1 0 389.949 2.197 20 0 GEADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000510769400 650518614 /nfs/dbraw/zinc/51/86/14/650518614.db2.gz VZDROOCZJXBBQV-MAZHCROVSA-N 1 0 385.555 2.186 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)s1 ZINC000472055921 650518854 /nfs/dbraw/zinc/51/88/54/650518854.db2.gz YITVRPBZTAEQEY-LBPRGKRZSA-N 1 0 375.560 2.317 20 0 GEADRO COc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)c(I)c1 ZINC000472085516 650519650 /nfs/dbraw/zinc/51/96/50/650519650.db2.gz LZTGTTDNMQUJDD-SNVBAGLBSA-N 1 0 376.238 2.370 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000472216419 650520524 /nfs/dbraw/zinc/52/05/24/650520524.db2.gz ZJHFHYKWLHGAPB-OAHLLOKOSA-N 1 0 387.571 2.058 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510944138 650521468 /nfs/dbraw/zinc/52/14/68/650521468.db2.gz MUXLIXMHEVAATK-ZDUSSCGKSA-N 1 0 381.464 2.449 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCOc1ccc(I)cc1 ZINC000511009325 650523158 /nfs/dbraw/zinc/52/31/58/650523158.db2.gz FEDVOQGFNMALOX-LLVKDONJSA-N 1 0 397.278 2.083 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(OC)cc1Br ZINC000472974657 650523830 /nfs/dbraw/zinc/52/38/30/650523830.db2.gz HGBOTNDLLGZHKF-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO CCn1cc(Br)cc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000511034143 650523835 /nfs/dbraw/zinc/52/38/35/650523835.db2.gz UZKXOPZDTXHPQU-UHFFFAOYSA-N 1 0 385.350 2.274 20 0 GEADRO Cc1cc(Cl)ccc1CN1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000511106137 650526164 /nfs/dbraw/zinc/52/61/64/650526164.db2.gz KWTUOQAGKVHGRY-MRXNPFEDSA-N 1 0 385.961 2.048 20 0 GEADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000473990721 650526364 /nfs/dbraw/zinc/52/63/64/650526364.db2.gz AFPRCERPEVJLOE-JKSUJKDBSA-N 1 0 396.329 2.290 20 0 GEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)c1ccc(Br)cc1 ZINC000511119850 650526756 /nfs/dbraw/zinc/52/67/56/650526756.db2.gz IMDLSGWPEIVLAF-UHFFFAOYSA-N 1 0 395.297 2.393 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000474084586 650526885 /nfs/dbraw/zinc/52/68/85/650526885.db2.gz SNVQRCSPFAKRSA-UHFFFAOYSA-N 1 0 377.304 2.139 20 0 GEADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000474115842 650528333 /nfs/dbraw/zinc/52/83/33/650528333.db2.gz LUCSTLMKIXTPST-UHFFFAOYSA-N 1 0 376.906 2.080 20 0 GEADRO Cc1ccc(CCC(=O)N2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000475278554 650530822 /nfs/dbraw/zinc/53/08/22/650530822.db2.gz HUBXBYNUBUFRFV-UHFFFAOYSA-N 1 0 382.346 2.396 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1(C(F)(F)F)CCC1 ZINC000511358745 650534883 /nfs/dbraw/zinc/53/48/83/650534883.db2.gz JFTRCXQCUSTINM-UHFFFAOYSA-N 1 0 382.452 2.072 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccsc1Br ZINC000511404330 650535933 /nfs/dbraw/zinc/53/59/33/650535933.db2.gz KFVXTOPMASAYMW-LBPRGKRZSA-N 1 0 376.320 2.421 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2F)C1 ZINC000475766131 650537511 /nfs/dbraw/zinc/53/75/11/650537511.db2.gz HDGFORBNIYLOLW-AWEZNQCLSA-N 1 0 376.469 2.395 20 0 GEADRO C[C@@](CO)([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000511567527 650538966 /nfs/dbraw/zinc/53/89/66/650538966.db2.gz ZUPURUKNBZMFBX-WFASDCNBSA-N 1 0 376.316 2.071 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000475796874 650539028 /nfs/dbraw/zinc/53/90/28/650539028.db2.gz KNYQWXLUPHBHSF-UHFFFAOYSA-N 1 0 383.539 2.464 20 0 GEADRO Ic1cnc(C[NH2+]CCCOC[C@@H]2CCOC2)s1 ZINC000512047262 650544701 /nfs/dbraw/zinc/54/47/01/650544701.db2.gz YLLATVLUSJAJNC-JTQLQIEISA-N 1 0 382.267 2.281 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c(Br)c1 ZINC000512404874 650547639 /nfs/dbraw/zinc/54/76/39/650547639.db2.gz VSWDPONPYMWLOP-WFASDCNBSA-N 1 0 391.331 2.265 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000512083712 650545317 /nfs/dbraw/zinc/54/53/17/650545317.db2.gz LOGKIJWFHFHGES-MGPQQGTHSA-N 1 0 394.313 2.353 20 0 GEADRO C[C@@H](CNC(=O)C1(c2cc(F)cc(Br)c2)CC1)N1CC[NH+](C)CC1 ZINC000512320131 650546484 /nfs/dbraw/zinc/54/64/84/650546484.db2.gz AAZMYEGEOMXTFQ-ZDUSSCGKSA-N 1 0 398.320 2.372 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCSCC2)[C@H]1c1cccs1 ZINC000512613950 650551624 /nfs/dbraw/zinc/55/16/24/650551624.db2.gz UMZLUMYICVVZSW-ZBFHGGJFSA-N 1 0 381.567 2.213 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512370309 650547091 /nfs/dbraw/zinc/54/70/91/650547091.db2.gz OVXSXHCNNYQSBJ-HIFRSBDPSA-N 1 0 385.302 2.179 20 0 GEADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H](COC(F)F)C2)cc1Cl ZINC000512851027 650555190 /nfs/dbraw/zinc/55/51/90/650555190.db2.gz MDRFVKAEZXJFJS-SNVBAGLBSA-N 1 0 375.803 2.329 20 0 GEADRO C=Cn1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Br)cn1 ZINC000512850385 650555198 /nfs/dbraw/zinc/55/51/98/650555198.db2.gz JFWHGOPRBKMMGI-UHFFFAOYSA-N 1 0 399.314 2.204 20 0 GEADRO CCn1nccc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000512863544 650555378 /nfs/dbraw/zinc/55/53/78/650555378.db2.gz CBMVUOSDRPCJJK-UHFFFAOYSA-N 1 0 377.297 2.278 20 0 GEADRO Cc1cnn(C)c1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000512864532 650555418 /nfs/dbraw/zinc/55/54/18/650555418.db2.gz NILFRKCWQUAYCD-UHFFFAOYSA-N 1 0 377.297 2.103 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1OC(F)F ZINC000512972405 650555845 /nfs/dbraw/zinc/55/58/45/650555845.db2.gz SGMODLPEQIUWLJ-ZDUSSCGKSA-N 1 0 378.441 2.200 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000477003448 650565693 /nfs/dbraw/zinc/56/56/93/650565693.db2.gz ASJWMXCTNPSHNI-QWHCGFSZSA-N 1 0 384.318 2.473 20 0 GEADRO CC[NH+](CC)CCCN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000513962750 650572348 /nfs/dbraw/zinc/57/23/48/650572348.db2.gz DRZMUAJLOHPSNI-UHFFFAOYSA-N 1 0 375.485 2.003 20 0 GEADRO CN(C)c1ncccc1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000514667586 650576117 /nfs/dbraw/zinc/57/61/17/650576117.db2.gz IKUHMUYQQDADOS-HNNXBMFYSA-N 1 0 380.286 2.440 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000514726610 650577902 /nfs/dbraw/zinc/57/79/02/650577902.db2.gz XLQZHLBRTKIHGY-MNOVXSKESA-N 1 0 397.324 2.376 20 0 GEADRO CN(C(=O)Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000514782063 650579003 /nfs/dbraw/zinc/57/90/03/650579003.db2.gz OOHOVXQIEJOVHD-CYBMUJFWSA-N 1 0 383.290 2.111 20 0 GEADRO COCC(C)(C)N1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000514857146 650581338 /nfs/dbraw/zinc/58/13/38/650581338.db2.gz AMQVDEDEHYZSPV-SFHVURJKSA-N 1 0 398.345 2.192 20 0 GEADRO O=C(NCC1(c2ccc(Br)cc2)CCCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000478011531 650581343 /nfs/dbraw/zinc/58/13/43/650581343.db2.gz YSCHNAXWFUPQOG-HZPDHXFCSA-N 1 0 381.314 2.490 20 0 GEADRO C[N@H+](C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000515101170 650586705 /nfs/dbraw/zinc/58/67/05/650586705.db2.gz VQLLVXKQPKEXNH-PXAZEXFGSA-N 1 0 386.279 2.216 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000515024168 650584790 /nfs/dbraw/zinc/58/47/90/650584790.db2.gz RZGNCJBKFFNPOC-UHFFFAOYSA-N 1 0 396.340 2.072 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479020410 650594139 /nfs/dbraw/zinc/59/41/39/650594139.db2.gz OQURCAHPVQJBPB-ZBEGNZNMSA-N 1 0 384.307 2.251 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000479036489 650594701 /nfs/dbraw/zinc/59/47/01/650594701.db2.gz WGQHHIRKABVDLL-OAHLLOKOSA-N 1 0 392.297 2.423 20 0 GEADRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479053288 650595039 /nfs/dbraw/zinc/59/50/39/650595039.db2.gz FCAXPFMSEVNGPV-MNOVXSKESA-N 1 0 396.340 2.012 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000479079352 650595553 /nfs/dbraw/zinc/59/55/53/650595553.db2.gz QBHQMKSZAQBRFF-BLLLJJGKSA-N 1 0 384.307 2.205 20 0 GEADRO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000479081325 650595793 /nfs/dbraw/zinc/59/57/93/650595793.db2.gz XJJLMWNASHILSZ-LRDDRELGSA-N 1 0 386.323 2.497 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)COc1ncccc1Br ZINC000517019570 650601675 /nfs/dbraw/zinc/60/16/75/650601675.db2.gz QFBFGPBIOZGCMA-AAEUAGOBSA-N 1 0 385.306 2.299 20 0 GEADRO COCCCS(=O)(=O)NCCS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518184100 650602591 /nfs/dbraw/zinc/60/25/91/650602591.db2.gz ZQRVPNJPRNHOKQ-SFHVURJKSA-N 1 0 386.583 2.340 20 0 GEADRO OC[C@H](CC1CCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000518186080 650602606 /nfs/dbraw/zinc/60/26/06/650602606.db2.gz YVEHNDOYSTZURY-LSDHHAIUSA-N 1 0 376.266 2.469 20 0 GEADRO C[C@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)[NH+]1CC(C)C1 ZINC000518233056 650603170 /nfs/dbraw/zinc/60/31/70/650603170.db2.gz ISUKUOFITFJKSS-CYBMUJFWSA-N 1 0 386.359 2.495 20 0 GEADRO CCC[C@H](C)NS(=O)(=O)c1ccc(NC[C@@]2([NH+](C)C)CCSC2)nc1 ZINC000479446772 650603967 /nfs/dbraw/zinc/60/39/67/650603967.db2.gz OJUGBRRWXPNGMO-YOEHRIQHSA-N 1 0 386.587 2.398 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NC[C@H]1CC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000518395695 650604268 /nfs/dbraw/zinc/60/42/68/650604268.db2.gz NWVKULHZWAMHIP-CJNGLKHVSA-N 1 0 382.302 2.084 20 0 GEADRO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000518514647 650605580 /nfs/dbraw/zinc/60/55/80/650605580.db2.gz FHPNYPSFGZPAPQ-PTOFAABTSA-N 1 0 377.798 2.243 20 0 GEADRO COc1ccc(Br)cc1C[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000479601565 650607275 /nfs/dbraw/zinc/60/72/75/650607275.db2.gz MXWJFWJLXHVAFZ-UHFFFAOYSA-N 1 0 396.285 2.412 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000518769439 650607567 /nfs/dbraw/zinc/60/75/67/650607567.db2.gz VHTRUUBVHAQXLM-RYUDHWBXSA-N 1 0 382.302 2.153 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000519246428 650608604 /nfs/dbraw/zinc/60/86/04/650608604.db2.gz SFUMCINCXVMUNP-CYBMUJFWSA-N 1 0 380.901 2.261 20 0 GEADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000519698362 650610760 /nfs/dbraw/zinc/61/07/60/650610760.db2.gz GGXUORFMOQTLMH-GDBMZVCRSA-N 1 0 385.302 2.037 20 0 GEADRO C[C@H]1CC[N@H+](CC(=O)NCCC(=O)N(C)Cc2ccccc2Br)C1 ZINC000520605607 650615327 /nfs/dbraw/zinc/61/53/27/650615327.db2.gz CHGXXPSMEQHTKM-AWEZNQCLSA-N 1 0 396.329 2.256 20 0 GEADRO CC[C@@H](C)[C@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(F)(F)F ZINC000480343119 650620159 /nfs/dbraw/zinc/62/01/59/650620159.db2.gz QUPRHRRHQFDJON-YGRLFVJLSA-N 1 0 384.468 2.317 20 0 GEADRO C[C@@H](CNC(=O)NCCn1cc(Br)ccc1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000520738039 650616150 /nfs/dbraw/zinc/61/61/50/650616150.db2.gz QCBBWOAYKCYXCZ-KBPBESRZSA-N 1 0 399.333 2.030 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000521407591 650616918 /nfs/dbraw/zinc/61/69/18/650616918.db2.gz WXVTYVBOITZLGH-UHFFFAOYSA-N 1 0 380.286 2.380 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000521412842 650616975 /nfs/dbraw/zinc/61/69/75/650616975.db2.gz KQRMQUSYJXKLBS-UKRRQHHQSA-N 1 0 396.329 2.084 20 0 GEADRO CSCC[C@@H](CO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480179623 650617342 /nfs/dbraw/zinc/61/73/42/650617342.db2.gz KKCBIRYLAIIMSP-AAEUAGOBSA-N 1 0 394.356 2.371 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000480262810 650618608 /nfs/dbraw/zinc/61/86/08/650618608.db2.gz WWUFODVQINAMNR-ZDUSSCGKSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000480259932 650618626 /nfs/dbraw/zinc/61/86/26/650618626.db2.gz UPCSXCWTTJGZMA-KBPBESRZSA-N 1 0 398.345 2.343 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CCSC1 ZINC000480278107 650618768 /nfs/dbraw/zinc/61/87/68/650618768.db2.gz ZEUJJLMCCMEADN-MRXNPFEDSA-N 1 0 390.336 2.277 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@H]3CCC[N@@H+]3C)ccc2s1 ZINC000480483609 650623334 /nfs/dbraw/zinc/62/33/34/650623334.db2.gz WKBUMFJZIYBISP-CYBMUJFWSA-N 1 0 382.507 2.451 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000522266661 650624384 /nfs/dbraw/zinc/62/43/84/650624384.db2.gz XOPOUQSCJTZHDP-UHFFFAOYSA-N 1 0 398.349 2.197 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000522438658 650625151 /nfs/dbraw/zinc/62/51/51/650625151.db2.gz GFHUDUZPTRNUNT-UHFFFAOYSA-N 1 0 388.281 2.165 20 0 GEADRO CN([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC[NH+](CCO)CC1 ZINC000480718452 650629271 /nfs/dbraw/zinc/62/92/71/650629271.db2.gz PMBCMNPEBCPEAZ-KRWDZBQOSA-N 1 0 386.323 2.487 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CCSC1 ZINC000481389174 650645833 /nfs/dbraw/zinc/64/58/33/650645833.db2.gz HILLEHOQCUVOKG-AWEZNQCLSA-N 1 0 398.472 2.343 20 0 GEADRO CS[C@@H](CO)[C@@H](C)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000524801195 650646575 /nfs/dbraw/zinc/64/65/75/650646575.db2.gz DIYBWMXXYYMDPA-CABCVRRESA-N 1 0 375.604 2.150 20 0 GEADRO CCC[N@H+](C)CC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000481792281 650653739 /nfs/dbraw/zinc/65/37/39/650653739.db2.gz DXJBNLYFBAKAEY-UHFFFAOYSA-N 1 0 380.290 2.330 20 0 GEADRO OC[C@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCOC1 ZINC000481819171 650654059 /nfs/dbraw/zinc/65/40/59/650654059.db2.gz WCUZNBNIQCWLQJ-CABCVRRESA-N 1 0 380.286 2.369 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000481967349 650656881 /nfs/dbraw/zinc/65/68/81/650656881.db2.gz OCPCOKTZASCZBF-INIZCTEOSA-N 1 0 398.345 2.482 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2cncc(Br)c2)cc1 ZINC000525853326 650659945 /nfs/dbraw/zinc/65/99/45/650659945.db2.gz HEWXFUFZGAJFNS-UHFFFAOYSA-N 1 0 377.242 2.483 20 0 GEADRO COC(=O)c1ccc(Cl)c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000482214935 650662202 /nfs/dbraw/zinc/66/22/02/650662202.db2.gz AYSFKPIZDQBMFZ-UHFFFAOYSA-N 1 0 386.901 2.173 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000526037838 650663433 /nfs/dbraw/zinc/66/34/33/650663433.db2.gz LBSCZVXAOMXMOT-GFCCVEGCSA-N 1 0 385.277 2.441 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000526041275 650663461 /nfs/dbraw/zinc/66/34/61/650663461.db2.gz AUSYXHRFELOAOT-STQMWFEESA-N 1 0 379.448 2.238 20 0 GEADRO C[C@@H]1CN(C(=O)c2ncsc2C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000526920833 650664716 /nfs/dbraw/zinc/66/47/16/650664716.db2.gz GNBMFPNMBWNIOF-VXGBXAGGSA-N 1 0 376.448 2.260 20 0 GEADRO CCn1cc(C[N@H+](CCO)CCC(=O)Nc2cccc(Br)c2)cn1 ZINC000482903932 650670687 /nfs/dbraw/zinc/67/06/87/650670687.db2.gz QWCPTWMTCPSFQA-UHFFFAOYSA-N 1 0 395.301 2.489 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)c1cc(Br)cc2cccnc21 ZINC000527369241 650675031 /nfs/dbraw/zinc/67/50/31/650675031.db2.gz AGFXCKIPESMXJS-UHFFFAOYSA-N 1 0 378.270 2.449 20 0 GEADRO CCCCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000483396733 650678201 /nfs/dbraw/zinc/67/82/01/650678201.db2.gz QSBHVNNAFOHKEB-BZUAXINKSA-N 1 0 385.599 2.116 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483421727 650678283 /nfs/dbraw/zinc/67/82/83/650678283.db2.gz VLAVDDKYPXKHAP-JKSUJKDBSA-N 1 0 396.329 2.397 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000483444699 650678639 /nfs/dbraw/zinc/67/86/39/650678639.db2.gz XAZBTPHPDPJYMD-HZPDHXFCSA-N 1 0 387.571 2.061 20 0 GEADRO CC1(C[NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)COC1 ZINC000483530386 650679472 /nfs/dbraw/zinc/67/94/72/650679472.db2.gz QRBGMSNHMJSFBH-UHFFFAOYSA-N 1 0 382.302 2.042 20 0 GEADRO CN(CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1)CC(F)(F)F ZINC000483647963 650680540 /nfs/dbraw/zinc/68/05/40/650680540.db2.gz UAJHQVZLYAOYLJ-UHFFFAOYSA-N 1 0 382.496 2.141 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NCc2ncc(Br)cc2F)CC1 ZINC000527658296 650681360 /nfs/dbraw/zinc/68/13/60/650681360.db2.gz SYDLCRNULAJURN-UHFFFAOYSA-N 1 0 387.297 2.016 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000527751469 650682019 /nfs/dbraw/zinc/68/20/19/650682019.db2.gz CBHHDROCLGEWCW-KRWDZBQOSA-N 1 0 387.293 2.294 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000527914008 650682829 /nfs/dbraw/zinc/68/28/29/650682829.db2.gz ZJFOKWQLBXNDRV-IEBWSBKVSA-N 1 0 394.357 2.484 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528314498 650688602 /nfs/dbraw/zinc/68/86/02/650688602.db2.gz HOAZMHRLTDBEHP-LBPRGKRZSA-N 1 0 382.452 2.372 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000484721043 650689208 /nfs/dbraw/zinc/68/92/08/650689208.db2.gz WYTZWKQFUNAMSE-HNNXBMFYSA-N 1 0 387.933 2.287 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000528349293 650689870 /nfs/dbraw/zinc/68/98/70/650689870.db2.gz MDIVILUMSBAKMA-LLVKDONJSA-N 1 0 382.404 2.309 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)cc2OC)C[C@H]1C ZINC000484753472 650689968 /nfs/dbraw/zinc/68/99/68/650689968.db2.gz OUYFPJSCRHVIMF-VXGBXAGGSA-N 1 0 390.527 2.037 20 0 GEADRO C[C@H](CNC(=O)NCCNc1cc[nH+]cc1)Oc1ccccc1Br ZINC000483982168 650683939 /nfs/dbraw/zinc/68/39/39/650683939.db2.gz OZZORLPLJISWGY-CYBMUJFWSA-N 1 0 393.285 2.445 20 0 GEADRO CCOC[C@@H](O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000484169530 650685666 /nfs/dbraw/zinc/68/56/66/650685666.db2.gz KSYLLVWCVCJUKO-JSGCOSHPSA-N 1 0 391.249 2.492 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCCN1CC=CCC1 ZINC000528379717 650691772 /nfs/dbraw/zinc/69/17/72/650691772.db2.gz CUPRUTYDBRGHJM-UHFFFAOYSA-N 1 0 380.388 2.134 20 0 GEADRO C[C@@H]1[C@H](NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCC[N@@H+]1C ZINC000485074847 650692838 /nfs/dbraw/zinc/69/28/38/650692838.db2.gz CAFQYWSSEWWECQ-ZYHUDNBSSA-N 1 0 380.901 2.165 20 0 GEADRO Cc1nccc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1Br ZINC000528692125 650698107 /nfs/dbraw/zinc/69/81/07/650698107.db2.gz VESZVLSSEHLGEL-AWEZNQCLSA-N 1 0 397.317 2.197 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000485304294 650695002 /nfs/dbraw/zinc/69/50/02/650695002.db2.gz QSOFUPTZETYAKL-ILXRZTDVSA-N 1 0 398.345 2.477 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)[C@@H]1SC ZINC000485324510 650695156 /nfs/dbraw/zinc/69/51/56/650695156.db2.gz WIBPDJFMMGUMJQ-ZNMIVQPWSA-N 1 0 378.947 2.117 20 0 GEADRO [NH3+]CC1(NC(=O)Nc2ccc(I)cc2F)CCOCC1 ZINC000528698762 650698293 /nfs/dbraw/zinc/69/82/93/650698293.db2.gz WYVDFJMGUMDKTH-UHFFFAOYSA-N 1 0 393.200 2.060 20 0 GEADRO O=C(Nc1cncc(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528684580 650697719 /nfs/dbraw/zinc/69/77/19/650697719.db2.gz FHSCSHIKRNNQJC-OAHLLOKOSA-N 1 0 383.290 2.467 20 0 GEADRO C[N@H+](CCNC(=O)C(=O)NCC(C)(C)c1ccccc1Br)C1CC1 ZINC000485592911 650697800 /nfs/dbraw/zinc/69/78/00/650697800.db2.gz PJDQJTMBIGBWOB-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000485721649 650699435 /nfs/dbraw/zinc/69/94/35/650699435.db2.gz AXKWTOYNLQTBEF-HZPDHXFCSA-N 1 0 386.286 2.294 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000485805607 650700906 /nfs/dbraw/zinc/70/09/06/650700906.db2.gz LUQWQRMKZHFETL-UHFFFAOYSA-N 1 0 381.318 2.224 20 0 GEADRO CC[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1cc(F)cc(Br)c1 ZINC000485807254 650700918 /nfs/dbraw/zinc/70/09/18/650700918.db2.gz RFARFSJXJSJYIO-CVEARBPZSA-N 1 0 375.282 2.322 20 0 GEADRO O=C(c1cc(O)cc(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000529269635 650702001 /nfs/dbraw/zinc/70/20/01/650702001.db2.gz HMROJYWHKAJLQW-HNNXBMFYSA-N 1 0 383.286 2.482 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529291555 650702483 /nfs/dbraw/zinc/70/24/83/650702483.db2.gz OJNJRXYPIHESLS-HZSPNIEDSA-N 1 0 384.343 2.120 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529291561 650702519 /nfs/dbraw/zinc/70/25/19/650702519.db2.gz OJNJRXYPIHESLS-MELADBBJSA-N 1 0 384.343 2.120 20 0 GEADRO [NH3+]CC1(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000529322420 650702707 /nfs/dbraw/zinc/70/27/07/650702707.db2.gz LBSSJLJMLAZIQK-LBPRGKRZSA-N 1 0 387.311 2.379 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000529321555 650702741 /nfs/dbraw/zinc/70/27/41/650702741.db2.gz IWZRKAMHLYSEDZ-UONOGXRCSA-N 1 0 387.311 2.250 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529347704 650703266 /nfs/dbraw/zinc/70/32/66/650703266.db2.gz BBLUBZVWTIYCGT-HUUCEWRRSA-N 1 0 382.302 2.409 20 0 GEADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000529355002 650703577 /nfs/dbraw/zinc/70/35/77/650703577.db2.gz CAJVFEUYJVZHOG-HKUYNNGSSA-N 1 0 394.357 2.436 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N(CCO)Cc1ccc(Br)s1 ZINC000529354038 650703593 /nfs/dbraw/zinc/70/35/93/650703593.db2.gz SGEUVIYSUAGGBC-GFCCVEGCSA-N 1 0 388.331 2.299 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529721580 650705083 /nfs/dbraw/zinc/70/50/83/650705083.db2.gz ZPFFKFSTXWJYQG-OAHLLOKOSA-N 1 0 382.302 2.134 20 0 GEADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486444697 650713796 /nfs/dbraw/zinc/71/37/96/650713796.db2.gz KMTIMHGSOXPNKP-WDMOLILDSA-N 1 0 380.286 2.426 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)c1ccc2nnnn2c1)c1ccc(Cl)c(Cl)c1 ZINC000530032006 650711115 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Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(Br)cn2)CCC(=O)N1C ZINC000487087270 650727370 /nfs/dbraw/zinc/72/73/70/650727370.db2.gz OISLSBYBLLCEFB-CZUORRHYSA-N 1 0 378.274 2.029 20 0 GEADRO CC[C@H]1CN(CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000487151889 650729519 /nfs/dbraw/zinc/72/95/19/650729519.db2.gz DLOJBCLOZHDBMT-AWEZNQCLSA-N 1 0 385.302 2.421 20 0 GEADRO C[NH+](C)[C@@]1(CNc2ncccc2S(=O)(=O)N2CCCCC2)CCSC1 ZINC000530643892 650728690 /nfs/dbraw/zinc/72/86/90/650728690.db2.gz SROHDXCEFHGGRR-QGZVFWFLSA-N 1 0 384.571 2.105 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487426000 650733433 /nfs/dbraw/zinc/73/34/33/650733433.db2.gz HEZSAOZSBKCUGV-SUMWQHHRSA-N 1 0 396.329 2.436 20 0 GEADRO CN(CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C(=O)c1ccc(Br)o1 ZINC000487460865 650734134 /nfs/dbraw/zinc/73/41/34/650734134.db2.gz LKTXZUSFKZDULA-NEPJUHHUSA-N 1 0 386.290 2.103 20 0 GEADRO CC[N@H+](CCNC(=O)N(CCO)Cc1cccc(Br)c1)C1CC1 ZINC000487471611 650734349 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C[C@@H]1CCCC[N@@H+]1CCNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000044085106 642568999 /nfs/dbraw/zinc/56/89/99/642568999.db2.gz DJCJKUBWFMPWBL-CQSZACIVSA-N 1 0 384.571 2.098 20 0 GEADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cncc(Br)c1 ZINC000044244464 642571398 /nfs/dbraw/zinc/57/13/98/642571398.db2.gz OVFANOFAPKBYOU-UHFFFAOYSA-N 1 0 376.320 2.339 20 0 GEADRO CCC(CC)[C@H](CNS(=O)(=O)c1cncc(Br)c1)[NH+](C)C ZINC000044257492 642572779 /nfs/dbraw/zinc/57/27/79/642572779.db2.gz FQPAWFUZMCTFPZ-AWEZNQCLSA-N 1 0 378.336 2.489 20 0 GEADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)NCCN1CC[NH+](C)CC1 ZINC000044396832 642577566 /nfs/dbraw/zinc/57/75/66/642577566.db2.gz JCUKCCXONBUALY-KRWDZBQOSA-N 1 0 398.345 2.216 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C)c2)C[C@H]1[NH+](C)C ZINC000534171018 650769966 /nfs/dbraw/zinc/76/99/66/650769966.db2.gz IJMNFKOIDYECOI-ZIAGYGMSSA-N 1 0 393.372 2.424 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2F)C[C@H]1[NH+](C)C ZINC000534172186 650770138 /nfs/dbraw/zinc/77/01/38/650770138.db2.gz RDHPRLTXGAITEA-NEPJUHHUSA-N 1 0 397.335 2.254 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000047148480 642621729 /nfs/dbraw/zinc/62/17/29/642621729.db2.gz UFSKWLJYRNYVBA-AWEZNQCLSA-N 1 0 396.329 2.417 20 0 GEADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226867 642624170 /nfs/dbraw/zinc/62/41/70/642624170.db2.gz ZRKLHUQIWZIMBX-JKSUJKDBSA-N 1 0 394.313 2.312 20 0 GEADRO C[N@H+](CC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@H]1CCSC1 ZINC000534307833 650772001 /nfs/dbraw/zinc/77/20/01/650772001.db2.gz DFPIUYKTXLDQHA-YPMHNXCESA-N 1 0 385.892 2.138 20 0 GEADRO CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=S)NCC[NH+](C)C ZINC000048227651 642647598 /nfs/dbraw/zinc/64/75/98/642647598.db2.gz RHSAZEWBWVUIDY-UHFFFAOYSA-N 1 0 376.448 2.402 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000533977723 650767858 /nfs/dbraw/zinc/76/78/58/650767858.db2.gz QIALXVWZJIGPIZ-HNNXBMFYSA-N 1 0 385.302 2.133 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000049048464 642666233 /nfs/dbraw/zinc/66/62/33/642666233.db2.gz WYBXSGXKGBKNQZ-OAHLLOKOSA-N 1 0 388.295 2.405 20 0 GEADRO COCC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCOC1 ZINC000490106292 650768718 /nfs/dbraw/zinc/76/87/18/650768718.db2.gz YNLFETHJXCPTPZ-CABCVRRESA-N 1 0 392.265 2.065 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000050163608 642677754 /nfs/dbraw/zinc/67/77/54/642677754.db2.gz GRFUBGIBSZXZTQ-MNOVXSKESA-N 1 0 377.304 2.124 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000050203966 642678588 /nfs/dbraw/zinc/67/85/88/642678588.db2.gz QVCWIYKJMQFKJD-ZDUSSCGKSA-N 1 0 380.286 2.393 20 0 GEADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000050246608 642679096 /nfs/dbraw/zinc/67/90/96/642679096.db2.gz ATULBOPUMVMGHJ-MRVPVSSYSA-N 1 0 398.120 2.181 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000534522330 650776943 /nfs/dbraw/zinc/77/69/43/650776943.db2.gz VSNBBJSZVTXABG-UHFFFAOYSA-N 1 0 386.253 2.294 20 0 GEADRO CCCc1ncc(C(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)s1 ZINC000534546289 650777422 /nfs/dbraw/zinc/77/74/22/650777422.db2.gz REEJDASAWOOLFM-AWEZNQCLSA-N 1 0 387.571 2.067 20 0 GEADRO CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000052499695 642721157 /nfs/dbraw/zinc/72/11/57/642721157.db2.gz OKDMHVJRAVNZCW-AWEZNQCLSA-N 1 0 397.317 2.480 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)CCSc2ccc3c(c2)OCCO3)CCSC1 ZINC000490848509 650780604 /nfs/dbraw/zinc/78/06/04/650780604.db2.gz KTZIRAOHQGSVDF-SFHVURJKSA-N 1 0 382.551 2.494 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](C)[NH+]1CCCCC1 ZINC000054182367 642747828 /nfs/dbraw/zinc/74/78/28/642747828.db2.gz RLCAHQMOXFMRHI-DZGCQCFKSA-N 1 0 388.965 2.169 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000055004776 642767113 /nfs/dbraw/zinc/76/71/13/642767113.db2.gz QJRHKIMOULYDOJ-HNNXBMFYSA-N 1 0 380.583 2.173 20 0 GEADRO C[NH+](C)CCNC(=S)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000055004720 642767159 /nfs/dbraw/zinc/76/71/59/642767159.db2.gz HTUHROOFASULPP-UHFFFAOYSA-N 1 0 389.352 2.187 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000055216776 642770712 /nfs/dbraw/zinc/77/07/12/642770712.db2.gz GDKYNJXAZOWHQX-OAHLLOKOSA-N 1 0 382.917 2.497 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000055242793 642772047 /nfs/dbraw/zinc/77/20/47/642772047.db2.gz AAGWODYREQPOBB-CHWSQXEVSA-N 1 0 376.954 2.418 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000055588277 642774613 /nfs/dbraw/zinc/77/46/13/642774613.db2.gz SMYDPVBUTYDARR-LLVKDONJSA-N 1 0 381.420 2.196 20 0 GEADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000491600490 650787787 /nfs/dbraw/zinc/78/77/87/650787787.db2.gz CMXCJFDWHZOTFR-UKRRQHHQSA-N 1 0 378.489 2.327 20 0 GEADRO C[NH+](C)C1(CNC(=O)CNC(=O)c2cccc(Br)c2)CCCC1 ZINC000056528660 642794886 /nfs/dbraw/zinc/79/48/86/642794886.db2.gz QEWRURZMNWXBSG-UHFFFAOYSA-N 1 0 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C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000120564491 643619547 /nfs/dbraw/zinc/61/95/47/643619547.db2.gz KRRVADSOMIAZLA-JQWIXIFHSA-N 1 0 386.265 2.468 20 0 GEADRO CC[C@@H]([NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@@H](O)C(F)(F)F ZINC000498369282 650855239 /nfs/dbraw/zinc/85/52/39/650855239.db2.gz MLIGOQQAYGHMKW-QMTHXVAHSA-N 1 0 384.782 2.004 20 0 GEADRO CC(C)CCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000122136919 643651080 /nfs/dbraw/zinc/65/10/80/643651080.db2.gz RTDQEEXVMZEZOG-CQSZACIVSA-N 1 0 376.544 2.499 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000498462392 650857392 /nfs/dbraw/zinc/85/73/92/650857392.db2.gz GYRRZLDYRYPERE-TZMCWYRMSA-N 1 0 396.285 2.139 20 0 GEADRO CC[NH+](CC)CCCN1C(=O)c2cc(Br)ccc2S1(=O)=O ZINC000122948604 643662835 /nfs/dbraw/zinc/66/28/35/643662835.db2.gz WLHDPCYWVUWISC-UHFFFAOYSA-N 1 0 375.288 2.326 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc(OC)c2)C1 ZINC000498442838 650856644 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CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000124972458 643696949 /nfs/dbraw/zinc/69/69/49/643696949.db2.gz ATBLXYWUIJNFIX-QWHCGFSZSA-N 1 0 387.571 2.001 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)cc1Cl ZINC000125004137 643697513 /nfs/dbraw/zinc/69/75/13/643697513.db2.gz DLBWYGBMAUHXBU-RKDXNWHRSA-N 1 0 381.281 2.328 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)CC(C)(C)S(C)(=O)=O)C1 ZINC000125607113 643708989 /nfs/dbraw/zinc/70/89/89/643708989.db2.gz NGLIMUVXGBSPHB-HOTGVXAUSA-N 1 0 375.579 2.209 20 0 GEADRO COC(=O)c1c(F)ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1F ZINC000126011009 643718506 /nfs/dbraw/zinc/71/85/06/643718506.db2.gz XYFXIGGWMXPGHR-JTQLQIEISA-N 1 0 378.441 2.006 20 0 GEADRO CS[C@@H]1CN(c2cnn(Cc3ccccc3)c(=O)c2Cl)C[C@@H]1[NH+](C)C ZINC000540297892 650862656 /nfs/dbraw/zinc/86/26/56/650862656.db2.gz WLXOWHPFWSDARO-JKSUJKDBSA-N 1 0 378.929 2.427 20 0 GEADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[NH+](CC2CC2)CC1 ZINC000498713129 650863156 /nfs/dbraw/zinc/86/31/56/650863156.db2.gz RAPRFLYCRNCYNK-UHFFFAOYSA-N 1 0 381.270 2.388 20 0 GEADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000127268397 643766989 /nfs/dbraw/zinc/76/69/89/643766989.db2.gz MJYKZHPSOMFYKS-UWVGGRQHSA-N 1 0 384.263 2.140 20 0 GEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)COc1cccc(Br)c1 ZINC000498776804 650865162 /nfs/dbraw/zinc/86/51/62/650865162.db2.gz JEHTWIZSUFVNKV-UHFFFAOYSA-N 1 0 398.345 2.312 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccnc(Br)c2)CC1 ZINC000128805356 643811421 /nfs/dbraw/zinc/81/14/21/643811421.db2.gz RWOVPZFDKFCUEO-OAHLLOKOSA-N 1 0 381.318 2.086 20 0 GEADRO FC(F)(F)COCCC[NH+]1CCN(Cn2cc(Br)cn2)CC1 ZINC000129125603 643817699 /nfs/dbraw/zinc/81/76/99/643817699.db2.gz RKWBHOMMKNXFMX-UHFFFAOYSA-N 1 0 385.228 2.190 20 0 GEADRO Brc1ccc(-c2nnc(CN3CC[C@@H](C[NH+]4CCOCC4)C3)o2)o1 ZINC000129620103 643824134 /nfs/dbraw/zinc/82/41/34/643824134.db2.gz NQGWLHGMUNAZET-LBPRGKRZSA-N 1 0 397.273 2.246 20 0 GEADRO CC(C)([NH3+])CNS(=O)(=O)c1cc(Br)ccc1Br ZINC000129621683 643824413 /nfs/dbraw/zinc/82/44/13/643824413.db2.gz BQULBXJUGXXCTD-UHFFFAOYSA-N 1 0 386.109 2.227 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(Cl)s1 ZINC000130299832 643833814 /nfs/dbraw/zinc/83/38/14/643833814.db2.gz ONSJWDXKBSZUBC-GFCCVEGCSA-N 1 0 393.962 2.094 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000130316836 643834896 /nfs/dbraw/zinc/83/48/96/643834896.db2.gz HDEXYZRNDVLPSY-UHFFFAOYSA-N 1 0 375.922 2.371 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)c1[nH]nc2ccc(I)cc21 ZINC000130494812 643841178 /nfs/dbraw/zinc/84/11/78/643841178.db2.gz HCEUCQLBYQLEGL-SNVBAGLBSA-N 1 0 384.221 2.039 20 0 GEADRO C[C@@H](NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000130946275 643856692 /nfs/dbraw/zinc/85/66/92/643856692.db2.gz FKUSKKYUKILOPS-UGFHNGPFSA-N 1 0 382.302 2.260 20 0 GEADRO COc1cc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)sc1Br ZINC000131003626 643858955 /nfs/dbraw/zinc/85/89/55/643858955.db2.gz YUJUQQXXPXUCNQ-NSHDSACASA-N 1 0 391.331 2.342 20 0 GEADRO O=C1C(=O)N(CN2CC[C@@H](C[NH+]3CCCC3)C2)c2cccc(Br)c21 ZINC000131376194 643870952 /nfs/dbraw/zinc/87/09/52/643870952.db2.gz SPOCOCTWBYGSKK-ZDUSSCGKSA-N 1 0 392.297 2.354 20 0 GEADRO Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CSCCS3)CC2)c1 ZINC000133125476 643892444 /nfs/dbraw/zinc/89/24/44/643892444.db2.gz GQEGWXDCDRFCFP-GOSISDBHSA-N 1 0 379.595 2.472 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NCc2ccc(C[NH+](C)C)c(F)c2)s1 ZINC000134903243 643908461 /nfs/dbraw/zinc/90/84/61/643908461.db2.gz MIIGVKSFIPEFOR-UHFFFAOYSA-N 1 0 386.470 2.214 20 0 GEADRO CSC[C@H]1CCCN1CCS(=O)(=O)CC[N@@H+]1CCC[C@@H]1CSC ZINC000135460977 643914587 /nfs/dbraw/zinc/91/45/87/643914587.db2.gz UHFMSGBKOXYUQL-HZPDHXFCSA-N 1 0 380.645 2.056 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(Br)n1 ZINC000136789284 643920010 /nfs/dbraw/zinc/92/00/10/643920010.db2.gz WYSRHCDFMJCFPM-UHFFFAOYSA-N 1 0 386.290 2.190 20 0 GEADRO COc1cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc(Cl)c1OC ZINC000151269766 643933904 /nfs/dbraw/zinc/93/39/04/643933904.db2.gz AXICLLZZIYFYJL-UHFFFAOYSA-N 1 0 388.917 2.403 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000151336078 643937913 /nfs/dbraw/zinc/93/79/13/643937913.db2.gz YKCMDPUSRCVEJH-INIZCTEOSA-N 1 0 393.260 2.332 20 0 GEADRO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151599311 643948266 /nfs/dbraw/zinc/94/82/66/643948266.db2.gz RHHFVTGFALJHBT-CYBMUJFWSA-N 1 0 386.901 2.218 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NC(C)(C)C[NH3+])C1 ZINC000151920719 643962040 /nfs/dbraw/zinc/96/20/40/643962040.db2.gz SYDQGISQQSICRG-ZDUSSCGKSA-N 1 0 396.329 2.463 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2sccc2SC(F)F)CC1 ZINC000152563097 643970110 /nfs/dbraw/zinc/97/01/10/643970110.db2.gz VEBWOOCXOHWBIE-LLVKDONJSA-N 1 0 389.493 2.441 20 0 GEADRO OCC[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccccc1Br ZINC000541952768 650883622 /nfs/dbraw/zinc/88/36/22/650883622.db2.gz ZLMVAGDYTSFGSZ-KEYYUXOJSA-N 1 0 388.302 2.019 20 0 GEADRO C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C[C@H](C)[NH2+]1 ZINC000153546687 643991643 /nfs/dbraw/zinc/99/16/43/643991643.db2.gz NCFISAYQIRHKLD-TXEJJXNPSA-N 1 0 399.563 2.111 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000153590833 643996016 /nfs/dbraw/zinc/99/60/16/643996016.db2.gz SVDJZFOSEILVLW-CHWSQXEVSA-N 1 0 397.317 2.267 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000153748390 644003450 /nfs/dbraw/zinc/00/34/50/644003450.db2.gz UHSLHUXHHPNXKM-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)COc1ccc(I)cc1 ZINC000153880696 644009930 /nfs/dbraw/zinc/00/99/30/644009930.db2.gz GWUMNBNCYMGNPN-UHFFFAOYSA-N 1 0 376.238 2.174 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CCSc1nnc(N2CCOCC2)n1CC(F)(F)F ZINC000154001785 644013599 /nfs/dbraw/zinc/01/35/99/644013599.db2.gz OVBBPHFKQFFBIY-GFCCVEGCSA-N 1 0 379.452 2.253 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000154167603 644023271 /nfs/dbraw/zinc/02/32/71/644023271.db2.gz OOJZEBCKHFIIQJ-CHWSQXEVSA-N 1 0 385.917 2.076 20 0 GEADRO COc1cc(C(=O)NCCCC[NH+]2CCOCC2)sc1Br ZINC000154213004 644026306 /nfs/dbraw/zinc/02/63/06/644026306.db2.gz WFGURWSEXWSNOP-UHFFFAOYSA-N 1 0 377.304 2.361 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cnc1Br ZINC000154442606 644042205 /nfs/dbraw/zinc/04/22/05/644042205.db2.gz PANKJXZCGFMQMW-CQSZACIVSA-N 1 0 397.317 2.424 20 0 GEADRO CCCC[C@@H]([NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000154470882 644044495 /nfs/dbraw/zinc/04/44/95/644044495.db2.gz XOCVBTPNGZVGKI-OAHLLOKOSA-N 1 0 384.318 2.431 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000155105305 644063971 /nfs/dbraw/zinc/06/39/71/644063971.db2.gz ZAGUGKOIRXUZJM-AWEZNQCLSA-N 1 0 396.329 2.369 20 0 GEADRO CCOc1ccc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1Br ZINC000155600591 644077192 /nfs/dbraw/zinc/07/71/92/644077192.db2.gz QYIFRQLXTIWXBE-UHFFFAOYSA-N 1 0 379.320 2.466 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000499650854 650889508 /nfs/dbraw/zinc/88/95/08/650889508.db2.gz VSKVLXVGMRBGNR-UHFFFAOYSA-N 1 0 391.331 2.361 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3csc(S(C)(=O)=O)c3)cc2)CC1 ZINC000156091125 644084712 /nfs/dbraw/zinc/08/47/12/644084712.db2.gz HCLNCDUOCFNNJM-UHFFFAOYSA-N 1 0 379.507 2.156 20 0 GEADRO C[NH+]1CCN(c2cccc(Cl)c2CNC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000542311281 650889813 /nfs/dbraw/zinc/88/98/13/650889813.db2.gz QLKSPNCJQGVQES-HNNXBMFYSA-N 1 0 385.961 2.149 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)CCn1cc(Br)ccc1=O ZINC000156388972 644093004 /nfs/dbraw/zinc/09/30/04/644093004.db2.gz RVJBVLFEGRDURW-UHFFFAOYSA-N 1 0 396.285 2.184 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(n2cncn2)CC1 ZINC000156592978 644106185 /nfs/dbraw/zinc/10/61/85/644106185.db2.gz WPSQGRLHNHFZJO-OAHLLOKOSA-N 1 0 381.274 2.117 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000156675596 644111790 /nfs/dbraw/zinc/11/17/90/644111790.db2.gz VQABYLJBABGSQY-GFCCVEGCSA-N 1 0 384.303 2.108 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)CN1CCOCC1 ZINC000156731085 644114319 /nfs/dbraw/zinc/11/43/19/644114319.db2.gz VFTNJZMGXJCNJG-KGLIPLIRSA-N 1 0 384.318 2.477 20 0 GEADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000156775188 644117166 /nfs/dbraw/zinc/11/71/66/644117166.db2.gz CWQIQHFZYZKWSL-CQSZACIVSA-N 1 0 386.323 2.452 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)CN1CCOCC1 ZINC000156830135 644119706 /nfs/dbraw/zinc/11/97/06/644119706.db2.gz IFTOVWRQGJZIJQ-ZIAGYGMSSA-N 1 0 384.318 2.477 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000157030050 644126625 /nfs/dbraw/zinc/12/66/25/644126625.db2.gz GTQAUWRVKJKYHL-OLZOCXBDSA-N 1 0 377.539 2.238 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000157027313 644126807 /nfs/dbraw/zinc/12/68/07/644126807.db2.gz HPJGBKNZMRSIGM-ZBFHGGJFSA-N 1 0 394.313 2.122 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000157094576 644129977 /nfs/dbraw/zinc/12/99/77/644129977.db2.gz CBLSYBRGAYEYLO-IUODEOHRSA-N 1 0 378.274 2.214 20 0 GEADRO O=C(C[C@H]1CSCCS1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000157482476 644134720 /nfs/dbraw/zinc/13/47/20/644134720.db2.gz FVCIPFZYTWGZGM-KRWDZBQOSA-N 1 0 383.558 2.303 20 0 GEADRO Cc1cc(Br)c(S(=O)(=O)N(C)CC[NH3+])cc1Br ZINC000158624220 644152119 /nfs/dbraw/zinc/15/21/19/644152119.db2.gz JVYCIRVAIQYVNM-UHFFFAOYSA-N 1 0 386.109 2.099 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)NCCCN1CC[NH+](C)CC1 ZINC000542946582 650895647 /nfs/dbraw/zinc/89/56/47/650895647.db2.gz UGTVZJDQZKQKKQ-UHFFFAOYSA-N 1 0 398.345 2.144 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(OC)cc2I)C1 ZINC000158893187 644165375 /nfs/dbraw/zinc/16/53/75/644165375.db2.gz AABPYGCTEXERAM-LLVKDONJSA-N 1 0 388.249 2.371 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000158906616 644166987 /nfs/dbraw/zinc/16/69/87/644166987.db2.gz GXDKRGRBDSYQNJ-ZIAGYGMSSA-N 1 0 386.901 2.374 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000158985693 644171066 /nfs/dbraw/zinc/17/10/66/644171066.db2.gz IDLXGJMWZQMWFW-IUODEOHRSA-N 1 0 386.901 2.231 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000159059959 644174384 /nfs/dbraw/zinc/17/43/84/644174384.db2.gz IRPCHCZKEOKJSF-PBHICJAKSA-N 1 0 396.329 2.474 20 0 GEADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000161919820 644225437 /nfs/dbraw/zinc/22/54/37/644225437.db2.gz ZGQNQFVPJAZPOF-KKUMJFAQSA-N 1 0 388.555 2.326 20 0 GEADRO NC(=O)C[C@@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)C1CCOCC1 ZINC000161922806 644225848 /nfs/dbraw/zinc/22/58/48/644225848.db2.gz FQTYWZZXWISWBE-CYBMUJFWSA-N 1 0 381.274 2.086 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(N(C)C)ccc1Br)C1CC1 ZINC000161959633 644226866 /nfs/dbraw/zinc/22/68/66/644226866.db2.gz QQIHTQGHSONMTI-UHFFFAOYSA-N 1 0 390.347 2.278 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000162043240 644229944 /nfs/dbraw/zinc/22/99/44/644229944.db2.gz YAHPZIAPGLAKIF-UONOGXRCSA-N 1 0 387.933 2.370 20 0 GEADRO C[C@@H](C(=O)NC1CCN(CC(=O)N(C)C)CC1)c1ccc(Br)cc1 ZINC000162419097 644236772 /nfs/dbraw/zinc/23/67/72/644236772.db2.gz IULARQUSTQVMSL-CYBMUJFWSA-N 1 0 396.329 2.221 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cccc(Br)c1 ZINC000162427114 644237461 /nfs/dbraw/zinc/23/74/61/644237461.db2.gz OLPMTVOSBCQLBP-LLVKDONJSA-N 1 0 388.287 2.207 20 0 GEADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000162523422 644238296 /nfs/dbraw/zinc/23/82/96/644238296.db2.gz BHOSINWOFRFLHE-VIFPVBQESA-N 1 0 383.258 2.442 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1CCOC1 ZINC000163016298 644244870 /nfs/dbraw/zinc/24/48/70/644244870.db2.gz INQHBMKPTXTSGW-QWHCGFSZSA-N 1 0 387.311 2.052 20 0 GEADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000163100896 644247971 /nfs/dbraw/zinc/24/79/71/644247971.db2.gz WQJYABNBDDXBPU-SWLSCSKDSA-N 1 0 393.285 2.131 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1Br ZINC000163145111 644249905 /nfs/dbraw/zinc/24/99/05/644249905.db2.gz MXCBTKKVHSLBHC-NSHDSACASA-N 1 0 398.301 2.183 20 0 GEADRO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(Br)c(C)[nH]c2=O)C[C@@H]1C ZINC000163201110 644252259 /nfs/dbraw/zinc/25/22/59/644252259.db2.gz MZJVFQFYIXISQQ-PHIMTYICSA-N 1 0 386.290 2.039 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[N@H+](CC)CC1 ZINC000163203741 644252649 /nfs/dbraw/zinc/25/26/49/644252649.db2.gz LRQJTKXPECLECL-UHFFFAOYSA-N 1 0 398.301 2.341 20 0 GEADRO C[C@H]1CCN(CC(=O)Nc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000163895863 644258493 /nfs/dbraw/zinc/25/84/93/644258493.db2.gz DFGQWGJWUDYZTB-RYUDHWBXSA-N 1 0 387.265 2.146 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(CN3c4cccc(Br)c4C(=O)C3=O)CC[C@@H]21 ZINC000164645981 644267310 /nfs/dbraw/zinc/26/73/10/644267310.db2.gz CKXCBAHCNOJNKY-OCCSQVGLSA-N 1 0 392.297 2.352 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000166062428 644272134 /nfs/dbraw/zinc/27/21/34/644272134.db2.gz ZYJJXSMUWZXGJY-UHFFFAOYSA-N 1 0 389.949 2.494 20 0 GEADRO COc1nc(N2CC[NH+](CC[C@@H]3CCCCO3)CC2)ncc1Br ZINC000543435471 650911281 /nfs/dbraw/zinc/91/12/81/650911281.db2.gz VYWWJHBKGXJPDC-ZDUSSCGKSA-N 1 0 385.306 2.329 20 0 GEADRO O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000166922021 644279363 /nfs/dbraw/zinc/27/93/63/644279363.db2.gz OYMBCERHDPLMPJ-GXTWGEPZSA-N 1 0 378.226 2.298 20 0 GEADRO CO[C@@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000170820198 644289365 /nfs/dbraw/zinc/28/93/65/644289365.db2.gz FCVXBEPCXNSDEZ-MRXNPFEDSA-N 1 0 385.302 2.397 20 0 GEADRO CC(C)NS(=O)(=O)CCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000170913087 644296680 /nfs/dbraw/zinc/29/66/80/644296680.db2.gz RJQYOVRBLFEHKV-SNVBAGLBSA-N 1 0 381.329 2.287 20 0 GEADRO COc1cc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)on1 ZINC000543426782 650911356 /nfs/dbraw/zinc/91/13/56/650911356.db2.gz ZIDGOUCSESUMPC-UHFFFAOYSA-N 1 0 395.257 2.450 20 0 GEADRO O=S(=O)(c1cc(F)ccc1NC[C@H](O)C[NH+]1CCCCC1)C(F)(F)F ZINC000171026317 644302355 /nfs/dbraw/zinc/30/23/55/644302355.db2.gz NVFVIZLPGXGZHS-LBPRGKRZSA-N 1 0 384.395 2.378 20 0 GEADRO Cn1c(SCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)nnc1-c1cccs1 ZINC000171455158 644322640 /nfs/dbraw/zinc/32/26/40/644322640.db2.gz HGSNKBGTSLRAQQ-ZDUSSCGKSA-N 1 0 377.539 2.332 20 0 GEADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000171562744 644327153 /nfs/dbraw/zinc/32/71/53/644327153.db2.gz ASUNUDQGWAWYBH-UHFFFAOYSA-N 1 0 378.416 2.394 20 0 GEADRO Brc1cccc2c1cnn2CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172934487 644347006 /nfs/dbraw/zinc/34/70/06/644347006.db2.gz JMSGGGSCROOJEF-AWEZNQCLSA-N 1 0 379.302 2.410 20 0 GEADRO CNS(=O)(=O)c1cc(NC(=O)C[NH2+]C(C)(C)c2cccs2)ccc1C ZINC000543501393 650913191 /nfs/dbraw/zinc/91/31/91/650913191.db2.gz QLFIMOMBJYZBFJ-UHFFFAOYSA-N 1 0 381.523 2.428 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(Br)nc1 ZINC000173450090 644358674 /nfs/dbraw/zinc/35/86/74/644358674.db2.gz PBGJYZXOHAHPCJ-UHFFFAOYSA-N 1 0 377.242 2.257 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000173578533 644360130 /nfs/dbraw/zinc/36/01/30/644360130.db2.gz KMBGOSPUAJLGSJ-CQSZACIVSA-N 1 0 378.300 2.294 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc(C=O)cc1Br ZINC000173740266 644360612 /nfs/dbraw/zinc/36/06/12/644360612.db2.gz REUMJWWDBZIYTH-WFASDCNBSA-N 1 0 383.286 2.439 20 0 GEADRO CN(C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000174286342 644371848 /nfs/dbraw/zinc/37/18/48/644371848.db2.gz KEABFBZVESTOBX-CQSZACIVSA-N 1 0 379.917 2.440 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000174663662 644380189 /nfs/dbraw/zinc/38/01/89/644380189.db2.gz NECAKTQCNXQAIB-LLVKDONJSA-N 1 0 390.347 2.477 20 0 GEADRO CC[N@H+](CCNC(=O)c1cccn2c(I)cnc12)C1CC1 ZINC000176861389 644406888 /nfs/dbraw/zinc/40/68/88/644406888.db2.gz SHBTWRSRBZXGEU-UHFFFAOYSA-N 1 0 398.248 2.153 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1Cl ZINC000177558538 644417915 /nfs/dbraw/zinc/41/79/15/644417915.db2.gz NEYDKCWARWAFBZ-KGLIPLIRSA-N 1 0 387.933 2.193 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000543686323 650919532 /nfs/dbraw/zinc/91/95/32/650919532.db2.gz HYJALYNKHJBPQE-UHFFFAOYSA-N 1 0 393.347 2.394 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccnc(Br)c1 ZINC000178740997 644437925 /nfs/dbraw/zinc/43/79/25/644437925.db2.gz RTAQGMAUSKSEJC-LSDHHAIUSA-N 1 0 382.302 2.342 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccnc(Br)c1 ZINC000178740964 644438163 /nfs/dbraw/zinc/43/81/63/644438163.db2.gz RTAQGMAUSKSEJC-CABCVRRESA-N 1 0 382.302 2.342 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000178811919 644439935 /nfs/dbraw/zinc/43/99/35/644439935.db2.gz ZHAKHMTXPNMMOP-GXTWGEPZSA-N 1 0 394.313 2.388 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@@H]1C[NH3+] ZINC000178962953 644447760 /nfs/dbraw/zinc/44/77/60/644447760.db2.gz JCIYQCZABPMYGZ-WCBMZHEXSA-N 1 0 382.711 2.245 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000179025476 644449296 /nfs/dbraw/zinc/44/92/96/644449296.db2.gz XYRKOKIJCCMVHY-ZDUSSCGKSA-N 1 0 395.091 2.461 20 0 GEADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000179025462 644449341 /nfs/dbraw/zinc/44/93/41/644449341.db2.gz XYRKOKIJCCMVHY-CYBMUJFWSA-N 1 0 395.091 2.461 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@]1(O)CCOC1 ZINC000179027500 644449527 /nfs/dbraw/zinc/44/95/27/644449527.db2.gz VRRDDVMAQPZRFX-QGZVFWFLSA-N 1 0 380.286 2.493 20 0 GEADRO Cn1cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(-c2cccs2)n1 ZINC000179719408 644471042 /nfs/dbraw/zinc/47/10/42/644471042.db2.gz KYWXCZLZIQOIKE-OAHLLOKOSA-N 1 0 382.555 2.442 20 0 GEADRO Cc1cc(Br)cc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1O ZINC000180032746 644484018 /nfs/dbraw/zinc/48/40/18/644484018.db2.gz QOFSSYZTUGYZDL-UHFFFAOYSA-N 1 0 396.329 2.203 20 0 GEADRO CCc1nn(C)cc1C[NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000180122097 644490482 /nfs/dbraw/zinc/49/04/82/644490482.db2.gz OWJPVXDKZLOEAY-UHFFFAOYSA-N 1 0 384.571 2.407 20 0 GEADRO CC(C)(CNC(=O)C(=O)Nc1cccnc1Br)[NH+]1CCCCC1 ZINC000181347201 644531687 /nfs/dbraw/zinc/53/16/87/644531687.db2.gz PCDFYBLDRAHAMU-UHFFFAOYSA-N 1 0 383.290 2.163 20 0 GEADRO COc1cccc(C[C@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)n1 ZINC000544039198 650931515 /nfs/dbraw/zinc/93/15/15/650931515.db2.gz BTACJLWHPRVNFM-LBPRGKRZSA-N 1 0 383.539 2.268 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000544662713 650948657 /nfs/dbraw/zinc/94/86/57/650948657.db2.gz QUIPRJGWDLKLLT-UHFFFAOYSA-N 1 0 399.333 2.162 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000544672119 650949491 /nfs/dbraw/zinc/94/94/91/650949491.db2.gz DTBLBPBMFJOASQ-QGZVFWFLSA-N 1 0 386.323 2.094 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC[N@@H+](C)C3CC3)nc12 ZINC000544681027 650949799 /nfs/dbraw/zinc/94/97/99/650949799.db2.gz PAXATZCMNJHWJS-UHFFFAOYSA-N 1 0 394.317 2.341 20 0 GEADRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000181653560 644942492 /nfs/dbraw/zinc/94/24/92/644942492.db2.gz KQCLFGLZEIJKCJ-ZDUSSCGKSA-N 1 0 386.539 2.253 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCOCCS(C)(=O)=O)c(Br)c1 ZINC000181991491 644954801 /nfs/dbraw/zinc/95/48/01/644954801.db2.gz HWFFPNHFCFONOO-NSHDSACASA-N 1 0 380.304 2.170 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)C1 ZINC000182803328 644971736 /nfs/dbraw/zinc/97/17/36/644971736.db2.gz WKRNLXYQEGDMSD-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000183131745 644980483 /nfs/dbraw/zinc/98/04/83/644980483.db2.gz XJKSHNLQJQHVOG-LLVKDONJSA-N 1 0 375.288 2.154 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)C1CCS(=O)(=O)CC1 ZINC000545285963 650968189 /nfs/dbraw/zinc/96/81/89/650968189.db2.gz LCAZSYMOHQRAMG-CQSZACIVSA-N 1 0 386.945 2.480 20 0 GEADRO CC1(CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000183332859 644991558 /nfs/dbraw/zinc/99/15/58/644991558.db2.gz XFWTWZZRVZOFQS-UHFFFAOYSA-N 1 0 379.917 2.393 20 0 GEADRO C[N@@H+]1CC[C@H](C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)C1 ZINC000545301991 650968322 /nfs/dbraw/zinc/96/83/22/650968322.db2.gz GCLPUUUHZIMJHJ-ZDUSSCGKSA-N 1 0 384.293 2.184 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNc1cc[nH+]cc1C(N)=O ZINC000184114156 645009312 /nfs/dbraw/zinc/00/93/12/645009312.db2.gz LGGVSFHLHULJRI-UHFFFAOYSA-N 1 0 391.269 2.404 20 0 GEADRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000184280292 645015543 /nfs/dbraw/zinc/01/55/43/645015543.db2.gz QLUBNMNVGIBKFW-POUGUFFASA-N 1 0 384.523 2.176 20 0 GEADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@@H]12 ZINC000184993665 645030243 /nfs/dbraw/zinc/03/02/43/645030243.db2.gz PHAJELWUTXEKBL-DFBGVHRSSA-N 1 0 375.270 2.444 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)CC(=O)N(C)C)C2=O)ccc1Br ZINC000184992012 645030381 /nfs/dbraw/zinc/03/03/81/645030381.db2.gz RPXRUHZIGWWOLD-DOMZBBRYSA-N 1 0 382.302 2.319 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NNc1ccc(Br)c(F)c1 ZINC000185373026 645042853 /nfs/dbraw/zinc/04/28/53/645042853.db2.gz HSWJXGMGCAJEEH-GFCCVEGCSA-N 1 0 389.269 2.325 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000185416932 645044476 /nfs/dbraw/zinc/04/44/76/645044476.db2.gz OEOJCNLXVAXTAG-UHFFFAOYSA-N 1 0 396.289 2.071 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)C1 ZINC000185863404 645055336 /nfs/dbraw/zinc/05/53/36/645055336.db2.gz JPZNDSXPXJDMTF-LBPRGKRZSA-N 1 0 391.331 2.420 20 0 GEADRO CN(C[C@H](O)C(F)(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000186180396 645062601 /nfs/dbraw/zinc/06/26/01/645062601.db2.gz UCRYJTMCIPVADR-ZDUSSCGKSA-N 1 0 383.480 2.303 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000187195565 645085268 /nfs/dbraw/zinc/08/52/68/645085268.db2.gz OTVRRHGCQQXLJH-AWEZNQCLSA-N 1 0 379.320 2.056 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000187194646 645085425 /nfs/dbraw/zinc/08/54/25/645085425.db2.gz ZWXSMFAPWKRCMO-AWEZNQCLSA-N 1 0 381.523 2.335 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl)N1CC[NH+](C)CC1 ZINC000188045463 645104741 /nfs/dbraw/zinc/10/47/41/645104741.db2.gz KSYPYVFYAKASBW-JTQLQIEISA-N 1 0 384.304 2.047 20 0 GEADRO CC(C)[C@@H](CNC(=O)NCCCCCS(C)(=O)=O)[NH+]1CCCCCC1 ZINC000188301421 645112302 /nfs/dbraw/zinc/11/23/02/645112302.db2.gz ARAOCNVXBPAIKO-QGZVFWFLSA-N 1 0 375.579 2.401 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000188621179 645122391 /nfs/dbraw/zinc/12/23/91/645122391.db2.gz BJDOEIXFMSCORJ-ZDUSSCGKSA-N 1 0 399.329 2.304 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000545862825 650982316 /nfs/dbraw/zinc/98/23/16/650982316.db2.gz BBECLKWBRKODGC-ZDUSSCGKSA-N 1 0 392.091 2.008 20 0 GEADRO Cc1ccc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c(Cl)n1 ZINC000189690016 645140012 /nfs/dbraw/zinc/14/00/12/645140012.db2.gz AUOSBABIMZANEY-UHFFFAOYSA-N 1 0 375.922 2.211 20 0 GEADRO COC(=O)CCN(Cc1cccc(Br)c1)CN1CCOC1=S ZINC000189788235 645141074 /nfs/dbraw/zinc/14/10/74/645141074.db2.gz PKCYXFSTZPJLBE-UHFFFAOYSA-N 1 0 387.299 2.389 20 0 GEADRO Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Cl)n1 ZINC000189739909 645141208 /nfs/dbraw/zinc/14/12/08/645141208.db2.gz GRAFZMVJRIRSTD-CABCVRRESA-N 1 0 387.933 2.090 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000545862824 650982513 /nfs/dbraw/zinc/98/25/13/650982513.db2.gz BBECLKWBRKODGC-CYBMUJFWSA-N 1 0 392.091 2.008 20 0 GEADRO CCN(CC)C(=[NH2+])NCCCNC(=O)c1cc(OC)ccc1Br ZINC000191159320 645170782 /nfs/dbraw/zinc/17/07/82/645170782.db2.gz XJRSBCKNXZQMHM-UHFFFAOYSA-N 1 0 385.306 2.234 20 0 GEADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000191990843 645188519 /nfs/dbraw/zinc/18/85/19/645188519.db2.gz IRGRUVSRJDULSR-UHFFFAOYSA-N 1 0 390.228 2.218 20 0 GEADRO COc1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000546019577 650987547 /nfs/dbraw/zinc/98/75/47/650987547.db2.gz BATUOJGWESLOKB-CYBMUJFWSA-N 1 0 384.318 2.214 20 0 GEADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ncc(Br)s1 ZINC000192434302 645205972 /nfs/dbraw/zinc/20/59/72/645205972.db2.gz CQGNGUQQCOXDLN-CYBMUJFWSA-N 1 0 396.310 2.055 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(F)c(F)cc3I)C[C@H]2C1 ZINC000192503602 645210267 /nfs/dbraw/zinc/21/02/67/645210267.db2.gz CJYICYLRQRYOGD-DTORHVGOSA-N 1 0 392.187 2.203 20 0 GEADRO O=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1nc2c(s1)CCCC2 ZINC000192602943 645213740 /nfs/dbraw/zinc/21/37/40/645213740.db2.gz WUZRDEBJBFYKIG-KRWDZBQOSA-N 1 0 382.555 2.351 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000192685677 645221369 /nfs/dbraw/zinc/22/13/69/645221369.db2.gz XNXJLTSNBSEGFM-QMTHXVAHSA-N 1 0 379.295 2.396 20 0 GEADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000192933091 645232196 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CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000193245268 645255124 /nfs/dbraw/zinc/25/51/24/645255124.db2.gz XZYJZKFMSKMBOF-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000193256902 645256496 /nfs/dbraw/zinc/25/64/96/645256496.db2.gz GZZSOJBXRZFUKH-HUUCEWRRSA-N 1 0 388.917 2.318 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000546173183 650994281 /nfs/dbraw/zinc/99/42/81/650994281.db2.gz SUNFFRGCJITLLR-IAQYHMDHSA-N 1 0 389.315 2.172 20 0 GEADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC000193273129 645258898 /nfs/dbraw/zinc/25/88/98/645258898.db2.gz WFXJYUVUGKYNTN-CYBMUJFWSA-N 1 0 388.917 2.128 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000193276267 645259539 /nfs/dbraw/zinc/25/95/39/645259539.db2.gz GMGJCICHOOSVDQ-UHFFFAOYSA-N 1 0 383.283 2.393 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1Br ZINC000193282927 645260963 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Cc1nc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1Br ZINC000193559871 645283871 /nfs/dbraw/zinc/28/38/71/645283871.db2.gz BVSWLJNMUCCVOK-ZDUSSCGKSA-N 1 0 397.317 2.424 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)ccc1Cl ZINC000193588692 645287709 /nfs/dbraw/zinc/28/77/09/645287709.db2.gz CUWGMWGHRHWRTC-WFASDCNBSA-N 1 0 387.933 2.241 20 0 GEADRO CC(C)Sc1ccc(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000193760945 645296993 /nfs/dbraw/zinc/29/69/93/645296993.db2.gz NMQIMTUFYOCWNX-MRXNPFEDSA-N 1 0 384.567 2.378 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Br)cn1)[NH+]1CCCCC1 ZINC000193791879 645299394 /nfs/dbraw/zinc/29/93/94/645299394.db2.gz QETBGFGNKCLTGW-GFCCVEGCSA-N 1 0 383.290 2.163 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000194355620 645323368 /nfs/dbraw/zinc/32/33/68/645323368.db2.gz PTCIUEZWWXJUAN-OAHLLOKOSA-N 1 0 384.307 2.301 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2cccc(I)c2)C1 ZINC000194546968 645333053 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CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000236625793 645414588 /nfs/dbraw/zinc/41/45/88/645414588.db2.gz XVPQSMNQFQQANZ-CYBMUJFWSA-N 1 0 389.587 2.105 20 0 GEADRO O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)ccc1Br ZINC000236626447 645414652 /nfs/dbraw/zinc/41/46/52/645414652.db2.gz FXNBUJGYCGSDAZ-SNVBAGLBSA-N 1 0 392.275 2.025 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546769360 651009097 /nfs/dbraw/zinc/00/90/97/651009097.db2.gz HGTIMRMDBDIUMX-GFCCVEGCSA-N 1 0 377.304 2.395 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])s2)CC1 ZINC000236646577 645416176 /nfs/dbraw/zinc/41/61/76/645416176.db2.gz HEYOENBFZKGVAG-ZIAGYGMSSA-N 1 0 385.555 2.026 20 0 GEADRO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000236656336 645416825 /nfs/dbraw/zinc/41/68/25/645416825.db2.gz RDEOXEYJJDNDQZ-JSGCOSHPSA-N 1 0 397.317 2.395 20 0 GEADRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000236722597 645418551 /nfs/dbraw/zinc/41/85/51/645418551.db2.gz PHSQECRIMDBWFE-CYBMUJFWSA-N 1 0 394.291 2.399 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000236773815 645419331 /nfs/dbraw/zinc/41/93/31/645419331.db2.gz JDUTXOWBSWLQAB-HNNXBMFYSA-N 1 0 375.922 2.036 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000236773996 645419527 /nfs/dbraw/zinc/41/95/27/645419527.db2.gz IQNORJPZCZXCHR-AWEZNQCLSA-N 1 0 391.331 2.298 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000237115229 645423060 /nfs/dbraw/zinc/42/30/60/645423060.db2.gz JHHRDMIBYTVRRE-DOMZBBRYSA-N 1 0 380.286 2.012 20 0 GEADRO C[NH2+]C1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000237131915 645424224 /nfs/dbraw/zinc/42/42/24/645424224.db2.gz OMTLIYPMBDJRLY-CYBMUJFWSA-N 1 0 380.286 2.012 20 0 GEADRO C[NH2+]C1CCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000237160492 645425430 /nfs/dbraw/zinc/42/54/30/645425430.db2.gz CLPLFTZGWFFJKZ-UHFFFAOYSA-N 1 0 378.274 2.162 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c(Cl)cc1Cl ZINC000237193196 645426021 /nfs/dbraw/zinc/42/60/21/645426021.db2.gz HRFPIBGRBIFRKA-VIFPVBQESA-N 1 0 381.281 2.139 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)C1 ZINC000237181696 645426194 /nfs/dbraw/zinc/42/61/94/645426194.db2.gz SJLFNGZRAQBRJJ-MNOVXSKESA-N 1 0 388.331 2.087 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000237199087 645426680 /nfs/dbraw/zinc/42/66/80/645426680.db2.gz DNWTYLVQLRLANT-VIFPVBQESA-N 1 0 397.722 2.471 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)C1 ZINC000237208903 645427456 /nfs/dbraw/zinc/42/74/56/645427456.db2.gz ZUXSEFVYXVJGQI-LBPRGKRZSA-N 1 0 389.315 2.272 20 0 GEADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000237425694 645431881 /nfs/dbraw/zinc/43/18/81/645431881.db2.gz YFCVPAGAWQIHDG-UHFFFAOYSA-N 1 0 389.315 2.244 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)[C@@H](C)C[NH2+]1 ZINC000237474934 645433245 /nfs/dbraw/zinc/43/32/45/645433245.db2.gz CKAOMCZFTCTDAK-NEPJUHHUSA-N 1 0 387.933 2.239 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000237482343 645433274 /nfs/dbraw/zinc/43/32/74/645433274.db2.gz XCYMNQACIWJWPN-AGIUHOORSA-N 1 0 380.286 2.140 20 0 GEADRO C[C@@H]1CCCN(C(=O)COc2ccc(I)cc2)[C@@H]1C[NH3+] ZINC000237502234 645434670 /nfs/dbraw/zinc/43/46/70/645434670.db2.gz QWDNIVRWIMQPJY-BXUZGUMPSA-N 1 0 388.249 2.256 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)CCCOc1ccc(I)cc1 ZINC000237522882 645435412 /nfs/dbraw/zinc/43/54/12/645435412.db2.gz MUGJSLOAKLFRDW-LLVKDONJSA-N 1 0 376.238 2.161 20 0 GEADRO C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)CC[NH2+]1 ZINC000237530142 645435982 /nfs/dbraw/zinc/43/59/82/645435982.db2.gz GKEZGJZDFQALGE-ZDUSSCGKSA-N 1 0 385.555 2.183 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NCCCC[NH3+])C1 ZINC000237544840 645436126 /nfs/dbraw/zinc/43/61/26/645436126.db2.gz KHCAMIVVVMQQDZ-AWEZNQCLSA-N 1 0 396.329 2.465 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000237588411 645437344 /nfs/dbraw/zinc/43/73/44/645437344.db2.gz AXEHALVHWGNLDO-WDEREUQCSA-N 1 0 394.324 2.000 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NC[C@H]3CCC[NH2+]C3)CC2=O)ccc1Br ZINC000237790811 645441188 /nfs/dbraw/zinc/44/11/88/645441188.db2.gz SYMCFXRXQBNHPI-KBPBESRZSA-N 1 0 394.313 2.226 20 0 GEADRO [NH3+]C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000237802221 645442660 /nfs/dbraw/zinc/44/26/60/645442660.db2.gz DBNUTSSELLMKSG-XGNXJENSSA-N 1 0 380.286 2.188 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000237819221 645443295 /nfs/dbraw/zinc/44/32/95/645443295.db2.gz KUNWSHJEJCFABG-UHFFFAOYSA-N 1 0 388.295 2.080 20 0 GEADRO Cc1c(C(=O)NCc2ccccc2Br)nnn1C1CC[NH2+]CC1 ZINC000237816249 645443344 /nfs/dbraw/zinc/44/33/44/645443344.db2.gz QAWNFHJLFPHQQB-UHFFFAOYSA-N 1 0 378.274 2.204 20 0 GEADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000237833360 645444715 /nfs/dbraw/zinc/44/47/15/645444715.db2.gz CHKUQKHUSRRTJU-JMCQJSRRSA-N 1 0 380.176 2.427 20 0 GEADRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCCCC1 ZINC000237846169 645445837 /nfs/dbraw/zinc/44/58/37/645445837.db2.gz CKUQIEKEDNALOK-UHFFFAOYSA-N 1 0 392.275 2.297 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000237887158 645447356 /nfs/dbraw/zinc/44/73/56/645447356.db2.gz POEHGJHEAQFNHC-AWEZNQCLSA-N 1 0 385.555 2.231 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000238026172 645449578 /nfs/dbraw/zinc/44/95/78/645449578.db2.gz JRXZMOSQWLXQAF-BXKDBHETSA-N 1 0 392.275 2.153 20 0 GEADRO O=C(c1sccc1S(=O)(=O)NC1CCCCCC1)N1CCC[NH2+]CC1 ZINC000238171231 645450392 /nfs/dbraw/zinc/45/03/92/645450392.db2.gz MACAFTKGNXNHLU-UHFFFAOYSA-N 1 0 385.555 2.185 20 0 GEADRO O[C@@H](CN1CCOCC1)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000245399782 645453221 /nfs/dbraw/zinc/45/32/21/645453221.db2.gz AYOQOUYKKOHTPV-YOEHRIQHSA-N 1 0 375.296 2.060 20 0 GEADRO 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398.120 2.322 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261621404 645590750 /nfs/dbraw/zinc/59/07/50/645590750.db2.gz DKUACRXQOVZMMS-ABAIWWIYSA-N 1 0 387.265 2.289 20 0 GEADRO C[NH2+]C1CCN(CC(=O)Nc2ccc(I)cc2C)CC1 ZINC000261635172 645592317 /nfs/dbraw/zinc/59/23/17/645592317.db2.gz BQWLRTGBVSJDBL-UHFFFAOYSA-N 1 0 387.265 2.222 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CCC[NH2+]1 ZINC000261629966 645592476 /nfs/dbraw/zinc/59/24/76/645592476.db2.gz HOIYRJAYDOTNCM-ZDUSSCGKSA-N 1 0 397.722 2.149 20 0 GEADRO [NH3+]C1(c2noc(CCNC(=O)c3cc(F)ccc3Br)n2)CCC1 ZINC000261629134 645592490 /nfs/dbraw/zinc/59/24/90/645592490.db2.gz CIPGOWGKZCVBMU-UHFFFAOYSA-N 1 0 383.221 2.282 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261695095 645593917 /nfs/dbraw/zinc/59/39/17/645593917.db2.gz HWRWYHAXCPWKRT-XJKSGUPXSA-N 1 0 396.329 2.431 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261716252 645595785 /nfs/dbraw/zinc/59/57/85/645595785.db2.gz PNTRCXWVCKPHFM-MRXNPFEDSA-N 1 0 399.276 2.224 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@@H]12 ZINC000261774087 645598833 /nfs/dbraw/zinc/59/88/33/645598833.db2.gz OYMCSSSVKBUAEH-KBVBSXBZSA-N 1 0 379.707 2.460 20 0 GEADRO O=C(NC[C@H]1CCCN(Cc2ncc(C(F)(F)F)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000261782266 645599319 /nfs/dbraw/zinc/59/93/19/645599319.db2.gz FOVLBQLDZPLFLV-NEPJUHHUSA-N 1 0 376.448 2.242 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)O1 ZINC000261782689 645599372 /nfs/dbraw/zinc/59/93/72/645599372.db2.gz NBKSBARURWAROS-ILXRZTDVSA-N 1 0 386.279 2.429 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000261811434 645602297 /nfs/dbraw/zinc/60/22/97/645602297.db2.gz SRJBFTSTSHATLU-GFCCVEGCSA-N 1 0 382.302 2.025 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1(c2ccc(Cl)cc2)CC1 ZINC000261809821 645602382 /nfs/dbraw/zinc/60/23/82/645602382.db2.gz JNWIPMGUWZLVRU-AWEZNQCLSA-N 1 0 375.822 2.324 20 0 GEADRO COCC1(CNC(=O)C2=Cc3cc(Br)ccc3OC2)CC[NH2+]CC1 ZINC000261832386 645603847 /nfs/dbraw/zinc/60/38/47/645603847.db2.gz ZEIXBYJODLYJIB-UHFFFAOYSA-N 1 0 395.297 2.357 20 0 GEADRO CO[C@H]1CCN(Cc2nc(-c3cccc(Br)c3)no2)[C@H](C[NH3+])C1 ZINC000261843280 645604281 /nfs/dbraw/zinc/60/42/81/645604281.db2.gz IVMMKFIVPCTRHD-KBPBESRZSA-N 1 0 381.274 2.437 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261859873 645606352 /nfs/dbraw/zinc/60/63/52/645606352.db2.gz XPRPCTHPDYBYSO-VHSXEESVSA-N 1 0 379.707 2.333 20 0 GEADRO CCC(=O)N[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261878336 645608664 /nfs/dbraw/zinc/60/86/64/645608664.db2.gz YRJKRJMTCHPSRK-YOEHRIQHSA-N 1 0 382.302 2.140 20 0 GEADRO [NH3+][C@H](CNC(=O)CCc1nc(-c2cc(Br)cs2)no1)C1CC1 ZINC000261898404 645610136 /nfs/dbraw/zinc/61/01/36/645610136.db2.gz DKDICKJGOXCDHJ-SNVBAGLBSA-N 1 0 385.287 2.347 20 0 GEADRO C[NH2+][C@H](C)Cc1noc(-c2cc(Br)cc(S(C)(=O)=O)c2F)n1 ZINC000261907408 645610800 /nfs/dbraw/zinc/61/08/00/645610800.db2.gz ZHNXNPMPJFYKRG-SSDOTTSWSA-N 1 0 392.250 2.192 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261907271 645610979 /nfs/dbraw/zinc/61/09/79/645610979.db2.gz XBACMLBWZQPCEM-MXWKQRLJSA-N 1 0 388.331 2.215 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000547458239 651027565 /nfs/dbraw/zinc/02/75/65/651027565.db2.gz CWTAAFLWXVMOIP-HNNXBMFYSA-N 1 0 382.302 2.168 20 0 GEADRO COC(=O)[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000261933657 645613433 /nfs/dbraw/zinc/61/34/33/645613433.db2.gz LSIFEIOVHONQNT-KGLIPLIRSA-N 1 0 381.270 2.169 20 0 GEADRO C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000262250314 645622511 /nfs/dbraw/zinc/62/25/11/645622511.db2.gz SNLFVJMCCRKJEN-LBPRGKRZSA-N 1 0 394.313 2.482 20 0 GEADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262265329 645623273 /nfs/dbraw/zinc/62/32/73/645623273.db2.gz JUEQDGDMIARBGR-CQSZACIVSA-N 1 0 383.901 2.063 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000262284411 645624243 /nfs/dbraw/zinc/62/42/43/645624243.db2.gz ZOCAUMSNAMRXAT-HOCLYGCPSA-N 1 0 382.302 2.212 20 0 GEADRO CO[C@@H]1CCN(CC(=O)Nc2ccc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000262292074 645624322 /nfs/dbraw/zinc/62/43/22/645624322.db2.gz NJUNYTNADRPQEV-NWDGAFQWSA-N 1 0 390.709 2.479 20 0 GEADRO C[C@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2NS(C)(=O)=O)CC[NH2+]1 ZINC000262315550 645626439 /nfs/dbraw/zinc/62/64/39/645626439.db2.gz BJBCYNZODHOKER-UWVGGRQHSA-N 1 0 379.404 2.404 20 0 GEADRO Cc1csc2ncc(C(=O)Nc3ncc(C4CC[NH2+]CC4)s3)c(=O)n12 ZINC000262320129 645626459 /nfs/dbraw/zinc/62/64/59/645626459.db2.gz QDYWVXXOBSFNKL-UHFFFAOYSA-N 1 0 375.479 2.240 20 0 GEADRO O=S(=O)(NC[C@@H]1[NH2+]CCc2ccccc21)c1cncc(Br)c1 ZINC000262466039 645630965 /nfs/dbraw/zinc/63/09/65/645630965.db2.gz IWYBLKCMOQNOAZ-HNNXBMFYSA-N 1 0 382.283 2.009 20 0 GEADRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000262513793 645635153 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GEADRO C[NH2+]C[C@@H]1CCN(C(=O)CCC(=O)c2cc(Br)ccc2OC)C1 ZINC000262588729 645638529 /nfs/dbraw/zinc/63/85/29/645638529.db2.gz YEKFAPMOMWJQCC-LBPRGKRZSA-N 1 0 383.286 2.489 20 0 GEADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262603141 645639929 /nfs/dbraw/zinc/63/99/29/645639929.db2.gz AKUVTTOCQCOZJL-YCPHGPKFSA-N 1 0 392.297 2.155 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)CC[N@@H+]1C ZINC000547534039 651030187 /nfs/dbraw/zinc/03/01/87/651030187.db2.gz RGEUSWKCIOSUKX-KYOSRNDESA-N 1 0 385.917 2.293 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000262735357 645643057 /nfs/dbraw/zinc/64/30/57/645643057.db2.gz FQHMMRVIUGGZBL-GHMZBOCLSA-N 1 0 388.331 2.311 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@@H]2CSCC[NH2+]2)ccc1C ZINC000262739682 645643819 /nfs/dbraw/zinc/64/38/19/645643819.db2.gz DHYMOEZUGURWCE-OAHLLOKOSA-N 1 0 385.555 2.059 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000264360973 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O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)nc1 ZINC000269072006 646013187 /nfs/dbraw/zinc/01/31/87/646013187.db2.gz UNPVUAYXEUVYDV-HUUCEWRRSA-N 1 0 382.302 2.342 20 0 GEADRO O=C(Nc1ccc(Br)nc1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269136124 646018597 /nfs/dbraw/zinc/01/85/97/646018597.db2.gz MQSDYJCIAXRVCO-UONOGXRCSA-N 1 0 383.290 2.343 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000269182797 646020951 /nfs/dbraw/zinc/02/09/51/646020951.db2.gz AFNCXQFJLHCGLW-UHFFFAOYSA-N 1 0 387.933 2.181 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000269279887 646024691 /nfs/dbraw/zinc/02/46/91/646024691.db2.gz QDOAZTQFHMNZNR-HNNXBMFYSA-N 1 0 375.922 2.084 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c(Cl)cc1Cl ZINC000269373437 646031995 /nfs/dbraw/zinc/03/19/95/646031995.db2.gz UTROBGKKQKCIOX-SNVBAGLBSA-N 1 0 395.308 2.495 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000269526537 646046055 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GEADRO C[NH+](C)CCc1ccccc1NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000275828843 646361384 /nfs/dbraw/zinc/36/13/84/646361384.db2.gz LIFUDQHWYFMNOP-UHFFFAOYSA-N 1 0 381.523 2.159 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277089261 646375197 /nfs/dbraw/zinc/37/51/97/646375197.db2.gz VDXJENFTKHTZCE-CYBMUJFWSA-N 1 0 387.933 2.417 20 0 GEADRO COCCn1cc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)cn1 ZINC000277112104 646378192 /nfs/dbraw/zinc/37/81/92/646378192.db2.gz XPOGZXPORAFHNU-CQSZACIVSA-N 1 0 382.302 2.233 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000277130813 646381231 /nfs/dbraw/zinc/38/12/31/646381231.db2.gz OSJNLCCEJUNEEV-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(=O)n1C ZINC000277304841 646400629 /nfs/dbraw/zinc/40/06/29/646400629.db2.gz BXSQXAMYUSRFML-ZDUSSCGKSA-N 1 0 382.302 2.157 20 0 GEADRO Cc1c(Br)cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c(=O)n1C ZINC000277329803 646403110 /nfs/dbraw/zinc/40/31/10/646403110.db2.gz 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Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)ncc1Br ZINC000278570841 646526627 /nfs/dbraw/zinc/52/66/27/646526627.db2.gz RPBBITUBZSTYAE-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(Cl)cc(Br)c1F ZINC000278597399 646529524 /nfs/dbraw/zinc/52/95/24/646529524.db2.gz MZNKGSLUDBGKMU-JTQLQIEISA-N 1 0 378.673 2.217 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C)c1Cl ZINC000278647555 646534835 /nfs/dbraw/zinc/53/48/35/646534835.db2.gz DUKPMQFABPRLBF-SNVBAGLBSA-N 1 0 380.919 2.211 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3cc[nH]c(=O)c3Br)C2)CC1 ZINC000278856653 646558021 /nfs/dbraw/zinc/55/80/21/646558021.db2.gz WYSQYRSLMVOHIP-AWEZNQCLSA-N 1 0 382.302 2.283 20 0 GEADRO CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000278965176 646567125 /nfs/dbraw/zinc/56/71/25/646567125.db2.gz ILBQXRBYCQHGSP-JTQLQIEISA-N 1 0 392.257 2.460 20 0 GEADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCCO1 ZINC000279062092 646574427 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C[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279992301 646643466 /nfs/dbraw/zinc/64/34/66/646643466.db2.gz FKCJUWOEGPELNL-VIFPVBQESA-N 1 0 382.313 2.160 20 0 GEADRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280020353 646645651 /nfs/dbraw/zinc/64/56/51/646645651.db2.gz HKIORHRFHJHSLH-MXWKQRLJSA-N 1 0 397.324 2.485 20 0 GEADRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280086533 646648856 /nfs/dbraw/zinc/64/88/56/646648856.db2.gz MAPMBWCVRGTUPY-SDBXPKJASA-N 1 0 385.338 2.159 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000280111098 646651645 /nfs/dbraw/zinc/65/16/45/646651645.db2.gz TZPBXDTWANGDSI-WFASDCNBSA-N 1 0 397.317 2.007 20 0 GEADRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280156136 646656567 /nfs/dbraw/zinc/65/65/67/646656567.db2.gz QKMLTXXIWISRKY-SECBINFHSA-N 1 0 396.296 2.134 20 0 GEADRO CC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280179043 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/nfs/dbraw/zinc/73/75/29/646737529.db2.gz FJPDCRHPGGJBNV-ZDUSSCGKSA-N 1 0 394.313 2.403 20 0 GEADRO COCC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000281126121 646748014 /nfs/dbraw/zinc/74/80/14/646748014.db2.gz CMTYCCQCOMQPSZ-JTQLQIEISA-N 1 0 382.096 2.281 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c(Br)n1 ZINC000281374251 646765791 /nfs/dbraw/zinc/76/57/91/646765791.db2.gz GQOJQWAJVNICKL-UHFFFAOYSA-N 1 0 383.290 2.035 20 0 GEADRO CC[N@H+](CCOCCO)Cc1ccc(Br)cc1N1CCOCC1 ZINC000282264119 646821261 /nfs/dbraw/zinc/82/12/61/646821261.db2.gz CAEGIDFYZJRDTH-UHFFFAOYSA-N 1 0 387.318 2.117 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000283867104 646828350 /nfs/dbraw/zinc/82/83/50/646828350.db2.gz DZZOOHZWVKJFJB-RRFJBIMHSA-N 1 0 376.316 2.428 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)NCc1cccs1 ZINC000284112607 646834730 /nfs/dbraw/zinc/83/47/30/646834730.db2.gz QXYLKYFGDBMYPZ-UHFFFAOYSA-N 1 0 379.448 2.487 20 0 GEADRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000284949446 646847226 /nfs/dbraw/zinc/84/72/26/646847226.db2.gz ZDOLCYYPDYSZLU-UHFFFAOYSA-N 1 0 385.306 2.411 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cnc(Cl)c(Br)c2)[C@@H](C)C1 ZINC000285265669 646852206 /nfs/dbraw/zinc/85/22/06/646852206.db2.gz SEXDOGALNDFEJU-VHSXEESVSA-N 1 0 391.697 2.416 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N(C)CC[NH+](C)C ZINC000287531994 646891003 /nfs/dbraw/zinc/89/10/03/646891003.db2.gz JKFIRCPKEWIMTE-UHFFFAOYSA-N 1 0 388.262 2.270 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCc1ccsc1Br ZINC000287775753 646897155 /nfs/dbraw/zinc/89/71/55/646897155.db2.gz YGPQVYDWAHBSPT-UHFFFAOYSA-N 1 0 388.331 2.070 20 0 GEADRO CS(=O)(=O)Nc1ccc(OCC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287888209 646900077 /nfs/dbraw/zinc/90/00/77/646900077.db2.gz YVSNWCJJHJNLKV-OCCSQVGLSA-N 1 0 382.404 2.136 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000288069962 646907513 /nfs/dbraw/zinc/90/75/13/646907513.db2.gz GEZINCIMVYCLAP-JTQLQIEISA-N 1 0 379.258 2.002 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccccc1Br ZINC000288337086 646913255 /nfs/dbraw/zinc/91/32/55/646913255.db2.gz YLMNGSFMUOGLGN-WFASDCNBSA-N 1 0 380.286 2.473 20 0 GEADRO COCCC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(Br)cc1 ZINC000290215951 647173061 /nfs/dbraw/zinc/17/30/61/647173061.db2.gz QJUJIGGSRMBFIG-OAHLLOKOSA-N 1 0 393.347 2.398 20 0 GEADRO C[C@H]1C[C@@H](C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC[N@@H+]1C ZINC000291658417 647178395 /nfs/dbraw/zinc/17/83/95/647178395.db2.gz VEPNRFSLIREQHG-STQMWFEESA-N 1 0 397.317 2.350 20 0 GEADRO C[C@H]1CN(c2ncnc3c2c(Br)nn3C)CC[N@@H+](C2CCC2)C1 ZINC000292459349 647190925 /nfs/dbraw/zinc/19/09/25/647190925.db2.gz ZWKMOZQLYQQRIV-LLVKDONJSA-N 1 0 379.306 2.436 20 0 GEADRO Cn1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c(C(F)(F)F)n1 ZINC000293620243 647216076 /nfs/dbraw/zinc/21/60/76/647216076.db2.gz WCEGMBFEDYQXQG-UHFFFAOYSA-N 1 0 396.460 2.253 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCn1ccnc1 ZINC000294699374 647223278 /nfs/dbraw/zinc/22/32/78/647223278.db2.gz GMMIJLXWUTZTOR-ZDUSSCGKSA-N 1 0 395.301 2.339 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1nc2ncc(Br)cn2n1 ZINC000295416562 647231347 /nfs/dbraw/zinc/23/13/47/647231347.db2.gz JUKKDBCVLNOTQN-ZDUSSCGKSA-N 1 0 395.305 2.127 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000295445694 647232203 /nfs/dbraw/zinc/23/22/03/647232203.db2.gz WZYJYLUNHBHKRU-YHWZYXNKSA-N 1 0 389.315 2.361 20 0 GEADRO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000295756822 647239817 /nfs/dbraw/zinc/23/98/17/647239817.db2.gz OLJBQZUXMKLXTF-VWYCJHECSA-N 1 0 376.238 2.225 20 0 GEADRO COc1ccc(Br)cc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296437168 647252458 /nfs/dbraw/zinc/25/24/58/647252458.db2.gz KVXIEUOBRUGFCY-CYBMUJFWSA-N 1 0 386.290 2.426 20 0 GEADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000296978764 647257960 /nfs/dbraw/zinc/25/79/60/647257960.db2.gz WKYKUPICNUOGEP-AWEZNQCLSA-N 1 0 397.317 2.409 20 0 GEADRO Clc1ccc(I)c(-c2nc(N3CC[NH2+]CC3)no2)c1 ZINC000311877168 647282190 /nfs/dbraw/zinc/28/21/90/647282190.db2.gz BAATXBZSCNHTDT-UHFFFAOYSA-N 1 0 390.612 2.404 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ncc3Br)CC[C@@H]21 ZINC000323429936 647297221 /nfs/dbraw/zinc/29/72/21/647297221.db2.gz QIGWSOUKUTUFRY-GWCFXTLKSA-N 1 0 383.246 2.309 20 0 GEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1[nH]nc(C2CC2)c1Br ZINC000329086832 647315990 /nfs/dbraw/zinc/31/59/90/647315990.db2.gz HAGOXQNINVQFKY-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCC[N@@H+](C)C3CCCCC3)cnc2c1Cl ZINC000329122410 647318020 /nfs/dbraw/zinc/31/80/20/647318020.db2.gz KVAMRAVQYOETHA-UHFFFAOYSA-N 1 0 385.921 2.234 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000330914544 647357981 /nfs/dbraw/zinc/35/79/81/647357981.db2.gz SVDJPVMXNCFXTC-WWGRRREGSA-N 1 0 396.329 2.366 20 0 GEADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331200935 647369717 /nfs/dbraw/zinc/36/97/17/647369717.db2.gz VKEVLWJVJPSYTE-MAZHCROVSA-N 1 0 387.933 2.425 20 0 GEADRO CNS(=O)(=O)NC1CC[NH+](C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000331238755 647372923 /nfs/dbraw/zinc/37/29/23/647372923.db2.gz IKKWGNYKMVZLII-GFCCVEGCSA-N 1 0 390.347 2.071 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000331260135 647374967 /nfs/dbraw/zinc/37/49/67/647374967.db2.gz AXERHFMNLHEXRZ-GFCCVEGCSA-N 1 0 390.303 2.047 20 0 GEADRO [NH3+]C1CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000331363899 647382516 /nfs/dbraw/zinc/38/25/16/647382516.db2.gz AUQBQCZUOFNIEB-UHFFFAOYSA-N 1 0 383.290 2.241 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1Br ZINC000331373150 647382891 /nfs/dbraw/zinc/38/28/91/647382891.db2.gz CPMQNDOHMOVJQP-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000331380638 647384049 /nfs/dbraw/zinc/38/40/49/647384049.db2.gz MNOSQVMFOOVUBD-GOSISDBHSA-N 1 0 397.313 2.277 20 0 GEADRO COC(=O)c1nc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CCSC2)sc1C ZINC000331405420 647385085 /nfs/dbraw/zinc/38/50/85/647385085.db2.gz NEZCQXSNZCWHJE-STQMWFEESA-N 1 0 383.539 2.339 20 0 GEADRO CC1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)CC1 ZINC000331476682 647385994 /nfs/dbraw/zinc/38/59/94/647385994.db2.gz WWRIYZYSCSZXSQ-QGZVFWFLSA-N 1 0 394.313 2.181 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[C@@H]1[NH3+] ZINC000331482137 647386182 /nfs/dbraw/zinc/38/61/82/647386182.db2.gz XMMPHWPEAAHJPB-OCCSQVGLSA-N 1 0 397.317 2.487 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc(F)c1Br ZINC000331995238 647405887 /nfs/dbraw/zinc/40/58/87/647405887.db2.gz BGVQFKCGWYBUBU-FZMZJTMJSA-N 1 0 398.276 2.388 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000332004991 647406381 /nfs/dbraw/zinc/40/63/81/647406381.db2.gz JEPKRJQLXCFAQJ-CZUORRHYSA-N 1 0 394.313 2.264 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000332059731 647409039 /nfs/dbraw/zinc/40/90/39/647409039.db2.gz PCUBROIEIJFWSD-ZIAGYGMSSA-N 1 0 398.305 2.072 20 0 GEADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)C[C@@H](C)O1 ZINC000332198584 647421065 /nfs/dbraw/zinc/42/10/65/647421065.db2.gz ZUMPBQIRSIYIOA-JMSVASOKSA-N 1 0 383.286 2.498 20 0 GEADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332271236 647428214 /nfs/dbraw/zinc/42/82/14/647428214.db2.gz GKRLHLLFBMXLMN-NXEZZACHSA-N 1 0 386.677 2.109 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(F)cc3Br)CC2)C1=O ZINC000332337961 647435069 /nfs/dbraw/zinc/43/50/69/647435069.db2.gz VCUZTFRDCYNEEZ-OAHLLOKOSA-N 1 0 398.276 2.013 20 0 GEADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc(Br)c3F)CC2)C1=O ZINC000332413927 647435585 /nfs/dbraw/zinc/43/55/85/647435585.db2.gz SSYMVMJUBRWDTD-CQSZACIVSA-N 1 0 398.276 2.013 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NC1CCC([NH3+])CC1)CC2 ZINC000332450597 647439036 /nfs/dbraw/zinc/43/90/36/647439036.db2.gz FHYHJGDXTBQBBS-UHFFFAOYSA-N 1 0 394.313 2.028 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C)c1Br ZINC000332536286 647442495 /nfs/dbraw/zinc/44/24/95/647442495.db2.gz ATCHTUCWOOHQEO-TZMCWYRMSA-N 1 0 380.286 2.215 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000332539506 647442936 /nfs/dbraw/zinc/44/29/36/647442936.db2.gz ZTJLCXCIHGOELZ-INIZCTEOSA-N 1 0 395.297 2.140 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332540513 647442963 /nfs/dbraw/zinc/44/29/63/647442963.db2.gz CRQKMQSHGABQMZ-VHSXEESVSA-N 1 0 386.677 2.109 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332541520 647443521 /nfs/dbraw/zinc/44/35/21/647443521.db2.gz DEUIPKLTSMRUDZ-RNCFNFMXSA-N 1 0 386.677 2.251 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1Br ZINC000332553512 647445049 /nfs/dbraw/zinc/44/50/49/647445049.db2.gz LKFFSMQFMGDNAU-ZYHUDNBSSA-N 1 0 384.249 2.046 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1Br ZINC000332553509 647445333 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GEADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368385196 647755517 /nfs/dbraw/zinc/75/55/17/647755517.db2.gz MKBNKIBZDYSLDC-UTWWPYJBSA-N 1 0 391.306 2.153 20 0 GEADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000368383481 647755539 /nfs/dbraw/zinc/75/55/39/647755539.db2.gz DWNBVSXVFXUXIG-HUBLWGQQSA-N 1 0 388.270 2.414 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@]2(CNC(=O)O2)C1)Nc1ccc(Br)cc1 ZINC000369034258 647766973 /nfs/dbraw/zinc/76/69/73/647766973.db2.gz DVHMRMDFZFNUQX-INIZCTEOSA-N 1 0 382.258 2.352 20 0 GEADRO CS[C@H](CO)[C@@H](C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000369146731 647770642 /nfs/dbraw/zinc/77/06/42/647770642.db2.gz ZSTIJYFWMSRNRO-WKIYYKSKSA-N 1 0 383.480 2.203 20 0 GEADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cccc(Br)c1F ZINC000369190098 647771705 /nfs/dbraw/zinc/77/17/05/647771705.db2.gz VITVKQUGCKBBGK-ZACCUICWSA-N 1 0 377.279 2.492 20 0 GEADRO Nc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1ccccc1Br)C2 ZINC000369247328 647774172 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COC(=O)c1sc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)c1Cl ZINC000374176017 647819826 /nfs/dbraw/zinc/81/98/26/647819826.db2.gz LQLUVFWKFJEJMF-AXFHLTTASA-N 1 0 392.930 2.244 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1Cl ZINC000374185381 647820623 /nfs/dbraw/zinc/82/06/23/647820623.db2.gz XOTGHRAEDZFLHD-MRXNPFEDSA-N 1 0 386.901 2.279 20 0 GEADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000374814800 647827457 /nfs/dbraw/zinc/82/74/57/647827457.db2.gz MWKDOSKNUKHTEE-SJORKVTESA-N 1 0 375.485 2.018 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000375859635 647836338 /nfs/dbraw/zinc/83/63/38/647836338.db2.gz FCXHWXMPAFONIK-LNSITVRQSA-N 1 0 380.286 2.414 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)C1 ZINC000376268553 647840130 /nfs/dbraw/zinc/84/01/30/647840130.db2.gz ZYBBGJCNAMZSCY-GFCCVEGCSA-N 1 0 393.887 2.019 20 0 GEADRO C[N@H+](CCCN1C(=O)CNC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000376286689 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GEADRO Cc1cc(Cl)c(C)c(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1Cl ZINC000397534237 647898094 /nfs/dbraw/zinc/89/80/94/647898094.db2.gz IPUFNMHZXPKXEJ-UHFFFAOYSA-N 1 0 381.325 2.345 20 0 GEADRO COc1c(Br)cc(C[NH2+]C[C@H]2CNC(=O)C2)cc1Br ZINC000398326783 647899035 /nfs/dbraw/zinc/89/90/35/647899035.db2.gz CPDMRCDQXPAHRN-VIFPVBQESA-N 1 0 392.091 2.446 20 0 GEADRO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000398845987 647900310 /nfs/dbraw/zinc/90/03/10/647900310.db2.gz VZLSSNZFRXAKPS-RYUDHWBXSA-N 1 0 388.249 2.180 20 0 GEADRO Brc1cc2c(cc1Cn1cc([C@@H]3CCC[NH2+]C3)nn1)OCCO2 ZINC000404834071 647908847 /nfs/dbraw/zinc/90/88/47/647908847.db2.gz IITVHGLEHWJPNG-LLVKDONJSA-N 1 0 379.258 2.327 20 0 GEADRO O=C(c1ccc2cc(Br)ccc2c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405400811 647911077 /nfs/dbraw/zinc/91/10/77/647911077.db2.gz PYJNILZHJSCYKV-DLBZAZTESA-N 1 0 375.266 2.493 20 0 GEADRO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000407235045 647911677 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COc1ccc(Br)c(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000411667180 648029810 /nfs/dbraw/zinc/02/98/10/648029810.db2.gz HRFJUVSKHROMRI-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO COC1([C@H](C)[NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)CCC1 ZINC000412029773 648040984 /nfs/dbraw/zinc/04/09/84/648040984.db2.gz YSKYRMQYGZZZLP-LBPRGKRZSA-N 1 0 398.301 2.051 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412035484 648041960 /nfs/dbraw/zinc/04/19/60/648041960.db2.gz LJLUVTRECAKZHG-MISXGVKJSA-N 1 0 388.249 2.321 20 0 GEADRO CC(C)[C@H](CNC(=O)NCCC(C)(C)S(C)(=O)=O)[NH+]1CCCCCC1 ZINC000413076956 648060214 /nfs/dbraw/zinc/06/02/14/648060214.db2.gz BDJZZBUHBQERCD-INIZCTEOSA-N 1 0 375.579 2.400 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(Br)c(C)c2)CC[N@H+](C)C1 ZINC000413614011 648075521 /nfs/dbraw/zinc/07/55/21/648075521.db2.gz VYMQFHRSCPJHJK-AWEZNQCLSA-N 1 0 398.301 2.004 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)c2cc(Br)c(C)cc2C)CC[N@H+](C)C1 ZINC000413896344 648081895 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O=C(NCc1csc(Br)c1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414686033 648099480 /nfs/dbraw/zinc/09/94/80/648099480.db2.gz AJXIATNAENANKA-UHFFFAOYSA-N 1 0 394.294 2.411 20 0 GEADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414713398 648101227 /nfs/dbraw/zinc/10/12/27/648101227.db2.gz KJWMVYRTHDGAOC-UHFFFAOYSA-N 1 0 379.869 2.481 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415412293 648103015 /nfs/dbraw/zinc/10/30/15/648103015.db2.gz MMDIRPWGUMGFGE-GFCCVEGCSA-N 1 0 398.301 2.292 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1OCC)[C@@H]1CC[NH2+]C1 ZINC000415414269 648103864 /nfs/dbraw/zinc/10/38/64/648103864.db2.gz ZPEXRMRNDXLPDT-CYBMUJFWSA-N 1 0 398.301 2.387 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000415417556 648104367 /nfs/dbraw/zinc/10/43/67/648104367.db2.gz QALSRIAAFNGKMR-QMMMGPOBSA-N 1 0 376.682 2.321 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415586027 648107371 /nfs/dbraw/zinc/10/73/71/648107371.db2.gz XXSRSELLBMDESU-YUMQZZPRSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415586026 648107450 /nfs/dbraw/zinc/10/74/50/648107450.db2.gz XXSRSELLBMDESU-SFYZADRCSA-N 1 0 392.656 2.376 20 0 GEADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)C(=O)N[C@H](C)C[NH3+])c1C ZINC000415597766 648109240 /nfs/dbraw/zinc/10/92/40/648109240.db2.gz JSRXQLLZASFSNW-MRVPVSSYSA-N 1 0 384.267 2.198 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000415604464 648110292 /nfs/dbraw/zinc/11/02/92/648110292.db2.gz FUYQEZQVFZPQFD-SECBINFHSA-N 1 0 377.247 2.451 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc(Br)c1F ZINC000415604593 648110313 /nfs/dbraw/zinc/11/03/13/648110313.db2.gz GEGITYAOJXZCPM-PELKAZGASA-N 1 0 386.221 2.200 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415621836 648110791 /nfs/dbraw/zinc/11/07/91/648110791.db2.gz XBUPAANDBWIEPD-KCJUWKMLSA-N 1 0 379.766 2.291 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415624482 648110816 /nfs/dbraw/zinc/11/08/16/648110816.db2.gz OCMBLQMTZPYIKW-YGRLFVJLSA-N 1 0 391.269 2.050 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415630233 648111562 /nfs/dbraw/zinc/11/15/62/648111562.db2.gz BANRENMJFWBVAU-SECBINFHSA-N 1 0 388.237 2.496 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415632186 648112238 /nfs/dbraw/zinc/11/22/38/648112238.db2.gz SBDAPVXVTGVIEQ-VIFPVBQESA-N 1 0 398.179 2.479 20 0 GEADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415632184 648112287 /nfs/dbraw/zinc/11/22/87/648112287.db2.gz SBDAPVXVTGVIEQ-SECBINFHSA-N 1 0 398.179 2.479 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415808694 648112660 /nfs/dbraw/zinc/11/26/60/648112660.db2.gz OPXYJVMGODQOMT-RNFRBKRXSA-N 1 0 382.180 2.258 20 0 GEADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000416415519 648119111 /nfs/dbraw/zinc/11/91/11/648119111.db2.gz IPJMSXYSTKSRBZ-CVEARBPZSA-N 1 0 396.619 2.020 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1Br ZINC000416505299 648152718 /nfs/dbraw/zinc/15/27/18/648152718.db2.gz AMBQQTXFLUVPTF-UHFFFAOYSA-N 1 0 392.319 2.026 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000416715479 648208877 /nfs/dbraw/zinc/20/88/77/648208877.db2.gz BJWLZSLIBYKXRI-DOMZBBRYSA-N 1 0 397.317 2.007 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C)c(Br)c2)CC[N@H+](C)C1 ZINC000416770753 648211515 /nfs/dbraw/zinc/21/15/15/648211515.db2.gz PCVFXZLFJXDUMO-LBPRGKRZSA-N 1 0 384.274 2.326 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2cccc(Br)c2C)CC[N@H+](C)C1 ZINC000416784922 648212499 /nfs/dbraw/zinc/21/24/99/648212499.db2.gz ALIXVSNIVRGXKY-LBPRGKRZSA-N 1 0 384.274 2.326 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000416824199 648213244 /nfs/dbraw/zinc/21/32/44/648213244.db2.gz IEIZJFROJQUPQP-NWDGAFQWSA-N 1 0 383.290 2.088 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(Br)ccc2F)CC[N@H+](C)C1 ZINC000416827327 648213801 /nfs/dbraw/zinc/21/38/01/648213801.db2.gz NIESAIAUMIGONK-SNVBAGLBSA-N 1 0 388.237 2.157 20 0 GEADRO CCCN(C(=O)NCC(=O)Nc1ccc(Br)cc1C)[C@H]1CC[NH2+]C1 ZINC000416834677 648214588 /nfs/dbraw/zinc/21/45/88/648214588.db2.gz SLKLJLAAAWREDC-AWEZNQCLSA-N 1 0 397.317 2.480 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCC([NH3+])(CC)CC)s1 ZINC000416925365 648216921 /nfs/dbraw/zinc/21/69/21/648216921.db2.gz YCPDJGAYXDWFLQ-UHFFFAOYSA-N 1 0 390.575 2.095 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(C)cc(Br)c2)CC[N@H+](C)C1 ZINC000417018055 648221919 /nfs/dbraw/zinc/22/19/19/648221919.db2.gz FAFIVNZESGBDFK-GFCCVEGCSA-N 1 0 384.274 2.326 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(C)cc(Br)c2)CC[N@H+](C)C1 ZINC000417018057 648222110 /nfs/dbraw/zinc/22/21/10/648222110.db2.gz FAFIVNZESGBDFK-LBPRGKRZSA-N 1 0 384.274 2.326 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417104218 648225018 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GEADRO CSc1ccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000417251301 648236459 /nfs/dbraw/zinc/23/64/59/648236459.db2.gz HMLMHHJKNMABRG-AWEZNQCLSA-N 1 0 376.448 2.044 20 0 GEADRO CC1(NC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[NH2+]CC1 ZINC000417298284 648238670 /nfs/dbraw/zinc/23/86/70/648238670.db2.gz KSXMDJCIJZCVDF-UHFFFAOYSA-N 1 0 384.274 2.162 20 0 GEADRO C[C@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)[C@@H](C[NH3+])C1 ZINC000417301750 648238743 /nfs/dbraw/zinc/23/87/43/648238743.db2.gz PYJBRIMQGOLFKO-WCQYABFASA-N 1 0 398.301 2.489 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417324026 648239642 /nfs/dbraw/zinc/23/96/42/648239642.db2.gz ZMWWJSFBWAZABM-GFCCVEGCSA-N 1 0 378.217 2.124 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417371607 648241528 /nfs/dbraw/zinc/24/15/28/648241528.db2.gz WTNDMDBDZIVFPY-CYBMUJFWSA-N 1 0 383.290 2.123 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)C1 ZINC000417372251 648241584 /nfs/dbraw/zinc/24/15/84/648241584.db2.gz YJFKRSDPFLRPDS-ZDUSSCGKSA-N 1 0 383.290 2.089 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417370472 648241621 /nfs/dbraw/zinc/24/16/21/648241621.db2.gz SRZZUMOHRHUJHA-CYBMUJFWSA-N 1 0 383.290 2.219 20 0 GEADRO COc1cc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc(Br)c1OC ZINC000417383663 648242913 /nfs/dbraw/zinc/24/29/13/648242913.db2.gz ZKSQSSHHORTMGO-JQWIXIFHSA-N 1 0 386.290 2.393 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000417428430 648244502 /nfs/dbraw/zinc/24/45/02/648244502.db2.gz LDQRZLBLDCZWSA-UHFFFAOYSA-N 1 0 388.559 2.248 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CCc2c1cccc2Br ZINC000417451916 648247243 /nfs/dbraw/zinc/24/72/43/648247243.db2.gz KSGOAPNLPJJVJV-MRXNPFEDSA-N 1 0 381.318 2.031 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000417480145 648248583 /nfs/dbraw/zinc/24/85/83/648248583.db2.gz FZZUSVMRQLYCOH-AWEZNQCLSA-N 1 0 397.317 2.480 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000417484236 648249540 /nfs/dbraw/zinc/24/95/40/648249540.db2.gz KJKNSNNWQHTLKU-UHFFFAOYSA-N 1 0 397.317 2.480 20 0 GEADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417486396 648249867 /nfs/dbraw/zinc/24/98/67/648249867.db2.gz YKYOXGQKBUYOIY-INWMFGNUSA-N 1 0 379.302 2.031 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000417495180 648250523 /nfs/dbraw/zinc/25/05/23/648250523.db2.gz ZHQFHMDLRCJUHM-AWEZNQCLSA-N 1 0 397.317 2.480 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417602155 648255582 /nfs/dbraw/zinc/25/55/82/648255582.db2.gz NGYRZDGVKASFTO-LZWOXQAQSA-N 1 0 393.329 2.421 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417604471 648256105 /nfs/dbraw/zinc/25/61/05/648256105.db2.gz UWUJSFAVZVKXNC-KDOFPFPSSA-N 1 0 393.329 2.423 20 0 GEADRO CCS[C@@H]1CCC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417824708 648262434 /nfs/dbraw/zinc/26/24/34/648262434.db2.gz KXPVWFWQIAFKJA-MCIONIFRSA-N 1 0 382.496 2.186 20 0 GEADRO Nc1cc(Br)ccc1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417847548 648262967 /nfs/dbraw/zinc/26/29/67/648262967.db2.gz UWVOHXYAFNNVJH-ZBFHGGJFSA-N 1 0 382.302 2.390 20 0 GEADRO C[C@@H](NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000417885403 648264503 /nfs/dbraw/zinc/26/45/03/648264503.db2.gz IWQNYZZRBVRMJH-QWHCGFSZSA-N 1 0 383.334 2.448 20 0 GEADRO [NH3+]CCCCNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417897698 648265634 /nfs/dbraw/zinc/26/56/34/648265634.db2.gz YBTBKYRXBNQUKA-UHFFFAOYSA-N 1 0 383.334 2.452 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(F)cc1I)COCC1CC1 ZINC000417903119 648265981 /nfs/dbraw/zinc/26/59/81/648265981.db2.gz QTSLZURNVYECNQ-ZDUSSCGKSA-N 1 0 379.213 2.307 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC3([NH3+])CCC3)nc12 ZINC000417994966 648268251 /nfs/dbraw/zinc/26/82/51/648268251.db2.gz AODKGNOOMWVQCY-UHFFFAOYSA-N 1 0 380.290 2.128 20 0 GEADRO CO[C@@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)[C@H](C[NH3+])C1 ZINC000418015546 648269861 /nfs/dbraw/zinc/26/98/61/648269861.db2.gz PYNLZBNIYYNRQH-LSDHHAIUSA-N 1 0 398.301 2.032 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)nc12 ZINC000418015483 648269882 /nfs/dbraw/zinc/26/98/82/648269882.db2.gz DRJGYLQKXFOVCU-IINYFYTJSA-N 1 0 380.290 2.202 20 0 GEADRO Cc1cc(N2CCC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])C2=O)ccc1Br ZINC000418015527 648269974 /nfs/dbraw/zinc/26/99/74/648269974.db2.gz PWYLBKFMHZRPST-ZOWXZIJZSA-N 1 0 397.317 2.288 20 0 GEADRO CC[NH2+]CCNC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000418018446 648270796 /nfs/dbraw/zinc/27/07/96/648270796.db2.gz UTXYPYMZUYGLEZ-HNNXBMFYSA-N 1 0 397.317 2.162 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NCCC[NH2+]C3CC3)nc12 ZINC000418020833 648271250 /nfs/dbraw/zinc/27/12/50/648271250.db2.gz OCEUZFNDBDZRBK-UHFFFAOYSA-N 1 0 394.317 2.389 20 0 GEADRO [NH3+]CCN(CCO)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000418023018 648271701 /nfs/dbraw/zinc/27/17/01/648271701.db2.gz BHZVAPTZFXUKJT-MRXNPFEDSA-N 1 0 384.318 2.123 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@](C)(C[NH3+])C3)nc12 ZINC000418023877 648271795 /nfs/dbraw/zinc/27/17/95/648271795.db2.gz SKEQYMUHSHNVLV-MRXNPFEDSA-N 1 0 380.290 2.286 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]([C@H](C)[NH3+])C3)nc12 ZINC000418026321 648272162 /nfs/dbraw/zinc/27/21/62/648272162.db2.gz OHQYDFWNIIQCQT-RYUDHWBXSA-N 1 0 380.290 2.284 20 0 GEADRO C[C@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)s1 ZINC000418044780 648273300 /nfs/dbraw/zinc/27/33/00/648273300.db2.gz BJYMHILUTRDICR-NWDGAFQWSA-N 1 0 387.347 2.261 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418079138 648275929 /nfs/dbraw/zinc/27/59/29/648275929.db2.gz KGTQSKQXLRKLTP-SUMWQHHRSA-N 1 0 385.295 2.479 20 0 GEADRO C[C@@H]1CN(Cc2ccc(F)cc2I)C[C@H](C)[N@H+]1CCO ZINC000418078165 648276053 /nfs/dbraw/zinc/27/60/53/648276053.db2.gz VEMACZHWZSUGKN-TXEJJXNPSA-N 1 0 392.256 2.317 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418088103 648277842 /nfs/dbraw/zinc/27/78/42/648277842.db2.gz JIZDMSXSSWCIFP-UKRRQHHQSA-N 1 0 397.317 2.371 20 0 GEADRO [NH3+]C1CCC(NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000418093540 648278751 /nfs/dbraw/zinc/27/87/51/648278751.db2.gz SXVIVTATHRRTME-SSDMNJCBSA-N 1 0 395.301 2.124 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418103502 648279895 /nfs/dbraw/zinc/27/98/95/648279895.db2.gz SZPNURJJHZAGHJ-YUELXQCFSA-N 1 0 381.318 2.454 20 0 GEADRO C[C@H](C[NH3+])NC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000418109918 648280929 /nfs/dbraw/zinc/28/09/29/648280929.db2.gz AXGSKLFGEDCWDB-GHMZBOCLSA-N 1 0 375.254 2.259 20 0 GEADRO [NH3+][C@H](CNC(=O)NCCCCn1cc(Br)cn1)c1ccccc1 ZINC000418109083 648281052 /nfs/dbraw/zinc/28/10/52/648281052.db2.gz SQHXFJHYTGRMJF-OAHLLOKOSA-N 1 0 380.290 2.425 20 0 GEADRO Cc1cc(Br)cn2c(CN3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)cnc12 ZINC000418114941 648281926 /nfs/dbraw/zinc/28/19/26/648281926.db2.gz OULUTXSRNXQDEW-ZIAGYGMSSA-N 1 0 381.318 2.292 20 0 GEADRO C[NH2+]CCN(C)C(=O)NCc1ccc(I)cc1Cl ZINC000418118027 648282408 /nfs/dbraw/zinc/28/24/08/648282408.db2.gz DILWLCPHKYKDGW-UHFFFAOYSA-N 1 0 381.645 2.305 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(I)cc1Cl ZINC000418133099 648283830 /nfs/dbraw/zinc/28/38/30/648283830.db2.gz ZZEPONZOSVBNPL-QMMMGPOBSA-N 1 0 381.645 2.433 20 0 GEADRO Cc1cc(CNC(=O)N[C@H](CC[NH3+])C(F)F)ccc1I ZINC000418144336 648284691 /nfs/dbraw/zinc/28/46/91/648284691.db2.gz SVGSOYJLMXZRRG-LLVKDONJSA-N 1 0 397.207 2.381 20 0 GEADRO [NH3+][C@H](CNC(=O)NCc1ccc(I)c(Cl)c1)C1CC1 ZINC000418157220 648285495 /nfs/dbraw/zinc/28/54/95/648285495.db2.gz MNZPVNIXLNDEAV-GFCCVEGCSA-N 1 0 393.656 2.481 20 0 GEADRO C[NH2+]CCN(C)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000418160898 648285875 /nfs/dbraw/zinc/28/58/75/648285875.db2.gz PHMHEJOXIFKUGG-UHFFFAOYSA-N 1 0 381.645 2.305 20 0 GEADRO COC[C@]1(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CCC[NH2+]1 ZINC000418160055 648286047 /nfs/dbraw/zinc/28/60/47/648286047.db2.gz DRHBMEPXELPNFM-DOTOQJQBSA-N 1 0 397.317 2.363 20 0 GEADRO O=C(NCc1ccc(I)c(Cl)c1)N[C@@H]1CC[NH2+]C1 ZINC000418157683 648286056 /nfs/dbraw/zinc/28/60/56/648286056.db2.gz MZFAHGAMVIJZQH-SECBINFHSA-N 1 0 379.629 2.106 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CCCO1 ZINC000418170496 648286334 /nfs/dbraw/zinc/28/63/34/648286334.db2.gz ZJBOMZYKJVMQDA-FZMZJTMJSA-N 1 0 384.274 2.032 20 0 GEADRO C[C@@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1F ZINC000418184541 648287203 /nfs/dbraw/zinc/28/72/03/648287203.db2.gz NSNPVINPGYAJRR-TZMCWYRMSA-N 1 0 399.308 2.338 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418185435 648287228 /nfs/dbraw/zinc/28/72/28/648287228.db2.gz AZGWAKBVGLLUQL-AWEZNQCLSA-N 1 0 384.322 2.067 20 0 GEADRO C[C@H](NC(=O)N(CC[NH3+])Cc1ccccc1)c1ncc(Br)cn1 ZINC000418219834 648287736 /nfs/dbraw/zinc/28/77/36/648287736.db2.gz SXVFFMWGUVEVEX-LBPRGKRZSA-N 1 0 378.274 2.471 20 0 GEADRO [NH3+]CCN(CCO)C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418213028 648287849 /nfs/dbraw/zinc/28/78/49/648287849.db2.gz HTCDAWAMZQASPS-HNNXBMFYSA-N 1 0 395.301 2.270 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418226877 648288042 /nfs/dbraw/zinc/28/80/42/648288042.db2.gz BQIXQARFRAOAJZ-CJNGLKHVSA-N 1 0 387.933 2.415 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418229455 648288501 /nfs/dbraw/zinc/28/85/01/648288501.db2.gz HBEFPAXSJJHAHE-HNNXBMFYSA-N 1 0 387.933 2.287 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccc(Br)cc2Cl)CCO1 ZINC000418230538 648288602 /nfs/dbraw/zinc/28/86/02/648288602.db2.gz JNNAEZKXPKYERE-LBPRGKRZSA-N 1 0 376.682 2.014 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)NCc1c(Br)cncc1Br ZINC000418235609 648289272 /nfs/dbraw/zinc/28/92/72/648289272.db2.gz LFMRUSCVAWYOOV-ZETCQYMHSA-N 1 0 380.084 2.095 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000418238080 648289326 /nfs/dbraw/zinc/28/93/26/648289326.db2.gz WQYKOCWPYZBAAW-DZGCQCFKSA-N 1 0 387.933 2.321 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1c(Br)cncc1Br ZINC000418241739 648289727 /nfs/dbraw/zinc/28/97/27/648289727.db2.gz UFLGGZXOBSQNET-LLVKDONJSA-N 1 0 394.111 2.389 20 0 GEADRO C[NH2+]CCNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418325192 648292958 /nfs/dbraw/zinc/29/29/58/648292958.db2.gz IZNIZSBSKJRZIZ-UHFFFAOYSA-N 1 0 383.290 2.029 20 0 GEADRO C[C@H](NC(=O)NC[C@@H](CO)Cc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000418331035 648293418 /nfs/dbraw/zinc/29/34/18/648293418.db2.gz CHOQNIFDPDOINK-DZKIICNBSA-N 1 0 398.345 2.287 20 0 GEADRO C[C@H](NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000418354980 648294381 /nfs/dbraw/zinc/29/43/81/648294381.db2.gz WVIUADKVOODBRD-IMJJTQAJSA-N 1 0 398.345 2.287 20 0 GEADRO [NH3+]CCCNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418357489 648294487 /nfs/dbraw/zinc/29/44/87/648294487.db2.gz QSIAJVVNRFEMEA-NSHDSACASA-N 1 0 384.196 2.149 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418364212 648294736 /nfs/dbraw/zinc/29/47/36/648294736.db2.gz NOQQCKDGOCJSPF-CQSZACIVSA-N 1 0 383.334 2.132 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418393404 648296070 /nfs/dbraw/zinc/29/60/70/648296070.db2.gz QWIJEDVABXTEIY-LBPRGKRZSA-N 1 0 395.305 2.027 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418395676 648296134 /nfs/dbraw/zinc/29/61/34/648296134.db2.gz HHZHPLRNPJOKJS-INIZCTEOSA-N 1 0 387.311 2.378 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418395678 648296179 /nfs/dbraw/zinc/29/61/79/648296179.db2.gz HHZHPLRNPJOKJS-MRXNPFEDSA-N 1 0 387.311 2.378 20 0 GEADRO O=C(N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)N[C@H]1CC[NH2+]C1 ZINC000418396667 648296524 /nfs/dbraw/zinc/29/65/24/648296524.db2.gz ZPZBRSCTWCJRAV-CABZTGNLSA-N 1 0 396.207 2.162 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000418400354 648296583 /nfs/dbraw/zinc/29/65/83/648296583.db2.gz XUTRFEWAZVYRDG-GFCCVEGCSA-N 1 0 387.311 2.316 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)C1CC1 ZINC000418405864 648297061 /nfs/dbraw/zinc/29/70/61/648297061.db2.gz RPFCRKFDROREBC-CQSZACIVSA-N 1 0 385.295 2.198 20 0 GEADRO O=C(NCC1C[NH2+]C1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418480200 648297506 /nfs/dbraw/zinc/29/75/06/648297506.db2.gz BFHJEOKGYWAUNT-CQSZACIVSA-N 1 0 385.249 2.357 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418486584 648297796 /nfs/dbraw/zinc/29/77/96/648297796.db2.gz ILMYHANJMWSZHR-RISCZKNCSA-N 1 0 381.826 2.412 20 0 GEADRO [NH3+][C@@H](CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C1CC1 ZINC000418483856 648297912 /nfs/dbraw/zinc/29/79/12/648297912.db2.gz CJKFSUWWFXCIHP-ZDUSSCGKSA-N 1 0 387.347 2.075 20 0 GEADRO [NH3+][C@@H](CNC(=O)NCc1noc(-c2cccc(Br)c2)n1)C1CC1 ZINC000418503986 648298663 /nfs/dbraw/zinc/29/86/63/648298663.db2.gz ZIGYJZCHYBBCCW-LBPRGKRZSA-N 1 0 380.246 2.036 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000418512614 648299035 /nfs/dbraw/zinc/29/90/35/648299035.db2.gz TYNTXFPEOYBDIM-OAHLLOKOSA-N 1 0 384.318 2.259 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000418505991 648299040 /nfs/dbraw/zinc/29/90/40/648299040.db2.gz GXYPFEPIVYPFOP-UHFFFAOYSA-N 1 0 375.300 2.061 20 0 GEADRO [NH3+]CCCCNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418516710 648299587 /nfs/dbraw/zinc/29/95/87/648299587.db2.gz XZZSDJPZDZXSNG-UHFFFAOYSA-N 1 0 387.297 2.154 20 0 GEADRO C[C@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418514901 648299651 /nfs/dbraw/zinc/29/96/51/648299651.db2.gz PHBSSDBSOQHNIQ-LLVKDONJSA-N 1 0 383.290 2.156 20 0 GEADRO CC1(CNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000418525657 648300157 /nfs/dbraw/zinc/30/01/57/648300157.db2.gz YBPRUTNQFVWQAR-AWEZNQCLSA-N 1 0 388.281 2.311 20 0 GEADRO C[C@@]1(CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CCC[NH2+]C1 ZINC000418542377 648300822 /nfs/dbraw/zinc/30/08/22/648300822.db2.gz OKPRBFVNLKIIKN-SJKOYZFVSA-N 1 0 390.311 2.422 20 0 GEADRO C[C@@]1(CNC(=O)NC[C@H](CO)Cc2ccccc2Br)CCC[NH2+]C1 ZINC000418541647 648300866 /nfs/dbraw/zinc/30/08/66/648300866.db2.gz NYDFODAJNHCIPP-RDTXWAMCSA-N 1 0 398.345 2.289 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418546819 648301503 /nfs/dbraw/zinc/30/15/03/648301503.db2.gz HVRJCGGEQSAYIH-GOEBONIOSA-N 1 0 384.318 2.041 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000418594853 648304091 /nfs/dbraw/zinc/30/40/91/648304091.db2.gz FXOSKIAOBANIEE-IJLUTSLNSA-N 1 0 376.284 2.173 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000418612088 648304860 /nfs/dbraw/zinc/30/48/60/648304860.db2.gz FAQPOAGMKRFEJH-RHSMWYFYSA-N 1 0 395.345 2.417 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCc2ccc(Cl)cc21 ZINC000418610658 648304903 /nfs/dbraw/zinc/30/49/03/648304903.db2.gz GVQFPIWZHQAUOT-AWEZNQCLSA-N 1 0 376.810 2.248 20 0 GEADRO COCC1(CNC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000418637666 648305994 /nfs/dbraw/zinc/30/59/94/648305994.db2.gz KBNNVNUTMMSEPV-CQSZACIVSA-N 1 0 390.311 2.342 20 0 GEADRO COCC1(CNC(=O)NCCNc2cccc(Br)c2)CC[NH2+]CC1 ZINC000418636388 648306199 /nfs/dbraw/zinc/30/61/99/648306199.db2.gz HAOZREQMUFWBBO-UHFFFAOYSA-N 1 0 399.333 2.176 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000418674657 648307043 /nfs/dbraw/zinc/30/70/43/648307043.db2.gz PQKVNYBFWOIGBR-IUODEOHRSA-N 1 0 397.317 2.149 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H](C)CCC[NH3+] ZINC000418712307 648307872 /nfs/dbraw/zinc/30/78/72/648307872.db2.gz VDDMFEDBINOIBT-JSGCOSHPSA-N 1 0 386.334 2.335 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418707132 648307947 /nfs/dbraw/zinc/30/79/47/648307947.db2.gz PGRQIQOGPFPYQB-YPMHNXCESA-N 1 0 390.297 2.166 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H](CO)Cc2ccccc2Br)C1 ZINC000418718974 648308311 /nfs/dbraw/zinc/30/83/11/648308311.db2.gz KKGIUEKMNNXQHN-IIAWOOMASA-N 1 0 398.345 2.417 20 0 GEADRO O=C(NCCNc1cccc(Br)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418747357 648309339 /nfs/dbraw/zinc/30/93/39/648309339.db2.gz AHNWXWJBDLENAC-LBPRGKRZSA-N 1 0 377.233 2.157 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418761510 648310143 /nfs/dbraw/zinc/31/01/43/648310143.db2.gz KQDHUKWRAXUZIO-WBMJQRKESA-N 1 0 377.897 2.414 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418763852 648310429 /nfs/dbraw/zinc/31/04/29/648310429.db2.gz NPFHZIDHLZDOOY-HNNXBMFYSA-N 1 0 383.334 2.274 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418769317 648311181 /nfs/dbraw/zinc/31/11/81/648311181.db2.gz TXKNIDSANOFLFZ-MRXNPFEDSA-N 1 0 383.334 2.273 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418787487 648312512 /nfs/dbraw/zinc/31/25/12/648312512.db2.gz JXUCXQDPJJLHPZ-IJEWVQPXSA-N 1 0 398.345 2.335 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000418783694 648312538 /nfs/dbraw/zinc/31/25/38/648312538.db2.gz GEAXANZJJPOUNH-HIFRSBDPSA-N 1 0 381.318 2.408 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000418789115 648312699 /nfs/dbraw/zinc/31/26/99/648312699.db2.gz LPOYGGHLLHUQGS-MFKMUULPSA-N 1 0 394.273 2.426 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418812883 648313473 /nfs/dbraw/zinc/31/34/73/648313473.db2.gz CGNUTJIPYVGEAS-XJKSGUPXSA-N 1 0 382.291 2.392 20 0 GEADRO CC1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000418813287 648313532 /nfs/dbraw/zinc/31/35/32/648313532.db2.gz CXBZDLVTDLNLBT-SWLSCSKDSA-N 1 0 384.307 2.471 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000418822694 648314337 /nfs/dbraw/zinc/31/43/37/648314337.db2.gz XDXZBTSYMMJJTC-GOEBONIOSA-N 1 0 384.307 2.424 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000418823383 648314430 /nfs/dbraw/zinc/31/44/30/648314430.db2.gz YAFLAHFHRVTOIC-RKOGSIPDSA-N 1 0 384.307 2.409 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418839941 648316169 /nfs/dbraw/zinc/31/61/69/648316169.db2.gz DIIFGXAEAHQFNM-CJNGLKHVSA-N 1 0 398.345 2.328 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000418853638 648317844 /nfs/dbraw/zinc/31/78/44/648317844.db2.gz SNVPZFMXDMLUSI-DCAQKATOSA-N 1 0 388.270 2.378 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000418867005 648319451 /nfs/dbraw/zinc/31/94/51/648319451.db2.gz OQZZMHDYMNQETE-SCRDCRAPSA-N 1 0 382.302 2.070 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000418865979 648319503 /nfs/dbraw/zinc/31/95/03/648319503.db2.gz NBWKEBXSKPGLHT-CHWSQXEVSA-N 1 0 382.302 2.084 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000418869149 648319953 /nfs/dbraw/zinc/31/99/53/648319953.db2.gz RMKVBYSTOCVAPY-ZLDLUXBVSA-N 1 0 382.302 2.260 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000418874268 648320329 /nfs/dbraw/zinc/32/03/29/648320329.db2.gz ZJXBFBMIMHCJAK-CHWSQXEVSA-N 1 0 382.302 2.214 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)c1ccc(Br)cn1 ZINC000418874703 648320789 /nfs/dbraw/zinc/32/07/89/648320789.db2.gz ZURVMDJXHVICAZ-GFCCVEGCSA-N 1 0 397.317 2.189 20 0 GEADRO CCCN(C(=O)C(=O)NCc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000418939156 648322926 /nfs/dbraw/zinc/32/29/26/648322926.db2.gz QWNXUPODLWASLZ-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418952473 648324921 /nfs/dbraw/zinc/32/49/21/648324921.db2.gz VLKGRKMJCUVJLR-AWEZNQCLSA-N 1 0 382.302 2.260 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418954749 648325173 /nfs/dbraw/zinc/32/51/73/648325173.db2.gz XNOZYJMBRYLTCR-MLGOLLRUSA-N 1 0 396.329 2.378 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccc(Cl)cc1Cl ZINC000418958322 648325529 /nfs/dbraw/zinc/32/55/29/648325529.db2.gz XGLABPTYHRVOMT-ISTVAULSSA-N 1 0 388.295 2.400 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418966968 648325982 /nfs/dbraw/zinc/32/59/82/648325982.db2.gz OKOSCRQBEMSPPY-SNVBAGLBSA-N 1 0 385.295 2.248 20 0 GEADRO CCCN(C(=O)C(=O)NCCc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000418986031 648326580 /nfs/dbraw/zinc/32/65/80/648326580.db2.gz FYLADAYZBQYIMW-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO Cc1cc(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)ccc1Br ZINC000418994335 648326867 /nfs/dbraw/zinc/32/68/67/648326867.db2.gz QEDVYMGJKXDNIZ-OAHLLOKOSA-N 1 0 396.329 2.268 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419016503 648327684 /nfs/dbraw/zinc/32/76/84/648327684.db2.gz DMTHKBVNARFKRD-IOASZLSFSA-N 1 0 396.329 2.001 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419031607 648328710 /nfs/dbraw/zinc/32/87/10/648328710.db2.gz AGVQZWMESPFBDY-CYBMUJFWSA-N 1 0 398.301 2.023 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419041591 648329501 /nfs/dbraw/zinc/32/95/01/648329501.db2.gz NTBGGFDTDGZELJ-SFHVURJKSA-N 1 0 384.307 2.397 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419051259 648330439 /nfs/dbraw/zinc/33/04/39/648330439.db2.gz FPBGNOPIMILWHY-UKRRQHHQSA-N 1 0 396.329 2.002 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419055495 648331133 /nfs/dbraw/zinc/33/11/33/648331133.db2.gz OCLNJDPIFKPTNH-UHFFFAOYSA-N 1 0 390.709 2.162 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419056305 648331169 /nfs/dbraw/zinc/33/11/69/648331169.db2.gz QKBARKHLGYTAPI-IPYPFGDCSA-N 1 0 396.329 2.082 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419054943 648331213 /nfs/dbraw/zinc/33/12/13/648331213.db2.gz NEDVQPFTTNWOOW-CABCVRRESA-N 1 0 396.329 2.226 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419055220 648331218 /nfs/dbraw/zinc/33/12/18/648331218.db2.gz NTELLQVWMDNISY-HIFRSBDPSA-N 1 0 396.329 2.002 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419058509 648331885 /nfs/dbraw/zinc/33/18/85/648331885.db2.gz WCWOLXCJCRZIHC-JGGQBBKZSA-N 1 0 396.329 2.001 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419058510 648331899 /nfs/dbraw/zinc/33/18/99/648331899.db2.gz WCWOLXCJCRZIHC-XNRPHZJLSA-N 1 0 396.329 2.001 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419091813 648333332 /nfs/dbraw/zinc/33/33/32/648333332.db2.gz GXWCMVSITAOLIR-JRPNMDOOSA-N 1 0 382.291 2.450 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419094937 648333416 /nfs/dbraw/zinc/33/34/16/648333416.db2.gz KDPZMBKSXONBDK-JRPNMDOOSA-N 1 0 382.291 2.165 20 0 GEADRO O=C(NCCSCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419103166 648334479 /nfs/dbraw/zinc/33/44/79/648334479.db2.gz ZTDSEEIUQYZBJA-CYBMUJFWSA-N 1 0 390.336 2.211 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCSCc2ccc(Cl)cc2Cl)C1 ZINC000419103146 648334703 /nfs/dbraw/zinc/33/47/03/648334703.db2.gz ZQRVEIXQTWSPPJ-NSHDSACASA-N 1 0 390.336 2.150 20 0 GEADRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000419126539 648335448 /nfs/dbraw/zinc/33/54/48/648335448.db2.gz NJMHVEUFSXDGEN-MRXNPFEDSA-N 1 0 377.897 2.429 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000419148244 648337069 /nfs/dbraw/zinc/33/70/69/648337069.db2.gz KAVCXPRNLIUASZ-STQMWFEESA-N 1 0 382.302 2.132 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419152984 648337708 /nfs/dbraw/zinc/33/77/08/648337708.db2.gz PECMOVQJMCEIGH-UHFFFAOYSA-N 1 0 384.307 2.254 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419186209 648340292 /nfs/dbraw/zinc/34/02/92/648340292.db2.gz LPKNJKAOHLEZPL-OLZOCXBDSA-N 1 0 396.329 2.039 20 0 GEADRO CCCN(C(=O)C(=O)NCCc1ccccc1Br)C1CC[NH2+]CC1 ZINC000419208887 648341852 /nfs/dbraw/zinc/34/18/52/648341852.db2.gz SBHRJEBXQSPBFH-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419275618 648343812 /nfs/dbraw/zinc/34/38/12/648343812.db2.gz CVRHGIFNJONGQW-YRGRVCCFSA-N 1 0 386.323 2.484 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419300800 648346069 /nfs/dbraw/zinc/34/60/69/648346069.db2.gz MOPMCYNCAKJUQO-AWEZNQCLSA-N 1 0 396.329 2.188 20 0 GEADRO COc1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(Br)c1OC ZINC000419324041 648346850 /nfs/dbraw/zinc/34/68/50/648346850.db2.gz JLZDICNVJOAZGU-CHWSQXEVSA-N 1 0 387.318 2.353 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419328722 648347433 /nfs/dbraw/zinc/34/74/33/648347433.db2.gz DXEIQKQAAHWDJX-KBPBESRZSA-N 1 0 384.318 2.083 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000419328325 648347843 /nfs/dbraw/zinc/34/78/43/648347843.db2.gz ONWNJLYHNBCSNZ-HZSPNIEDSA-N 1 0 377.312 2.120 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419413497 648351675 /nfs/dbraw/zinc/35/16/75/648351675.db2.gz FTYNKZWYKWRADS-QLFBSQMISA-N 1 0 398.345 2.477 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419413499 648351787 /nfs/dbraw/zinc/35/17/87/648351787.db2.gz FTYNKZWYKWRADS-RBSFLKMASA-N 1 0 398.345 2.477 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2csc(Br)c2)[C@@H](C)C[N@@H+]1CCO ZINC000419426593 648352114 /nfs/dbraw/zinc/35/21/14/648352114.db2.gz GIJPJQYKNNTXTL-MNOVXSKESA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]1CN(C(=O)NCCc2ccccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000419431053 648352149 /nfs/dbraw/zinc/35/21/49/648352149.db2.gz CVSSWVXECQGGFJ-KGLIPLIRSA-N 1 0 384.318 2.088 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419477618 648354047 /nfs/dbraw/zinc/35/40/47/648354047.db2.gz RROLAYGEYIARFW-QLFBSQMISA-N 1 0 398.345 2.477 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br)C1CCCC1 ZINC000419588836 648357363 /nfs/dbraw/zinc/35/73/63/648357363.db2.gz PGCAAUXUUQOUAV-JKSUJKDBSA-N 1 0 394.313 2.186 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419588233 648357473 /nfs/dbraw/zinc/35/74/73/648357473.db2.gz OMWVJMKYPRQUOM-LRDDRELGSA-N 1 0 394.313 2.140 20 0 GEADRO CC1(CNC(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000419594597 648357830 /nfs/dbraw/zinc/35/78/30/648357830.db2.gz ZRGMEYBOSMIEBV-HNNXBMFYSA-N 1 0 394.313 2.059 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000419620833 648358304 /nfs/dbraw/zinc/35/83/04/648358304.db2.gz BPWQBBDKESXJQY-ZDUSSCGKSA-N 1 0 377.794 2.391 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc(Cl)sc3Cl)C[C@H]21 ZINC000419618346 648358457 /nfs/dbraw/zinc/35/84/57/648358457.db2.gz BSMPPUDKKDDMHV-FBIMIBRVSA-N 1 0 376.309 2.257 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CCC[NH2+]C1 ZINC000419691830 648365717 /nfs/dbraw/zinc/36/57/17/648365717.db2.gz AKSQGECTYVTQER-OUJBWJOFSA-N 1 0 386.279 2.047 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000419702256 648366934 /nfs/dbraw/zinc/36/69/34/648366934.db2.gz FKWHOXGYTKXYEG-DCAQKATOSA-N 1 0 388.331 2.322 20 0 GEADRO Cc1ncsc1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419711287 648369613 /nfs/dbraw/zinc/36/96/13/648369613.db2.gz NJPOSYULUCSFLZ-UHFFFAOYSA-N 1 0 390.328 2.194 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419714522 648370128 /nfs/dbraw/zinc/37/01/28/648370128.db2.gz SYCGGVMIYZFLGA-OUAUKWLOSA-N 1 0 388.331 2.416 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Br)s1 ZINC000419715276 648370455 /nfs/dbraw/zinc/37/04/55/648370455.db2.gz UFBKJEFFNAKFIW-JTQLQIEISA-N 1 0 388.331 2.194 20 0 GEADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cnc(N(C)C)n2C)cc1Br ZINC000419714895 648370479 /nfs/dbraw/zinc/37/04/79/648370479.db2.gz UVMFINCCCCMJEX-OAHLLOKOSA-N 1 0 395.345 2.498 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000419732804 648372677 /nfs/dbraw/zinc/37/26/77/648372677.db2.gz SUSVTYANILBITE-GXFFZTMASA-N 1 0 386.279 2.001 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000419735204 648372965 /nfs/dbraw/zinc/37/29/65/648372965.db2.gz VSFFWJXTKWPVDG-QWHCGFSZSA-N 1 0 388.295 2.375 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)n1C ZINC000419739029 648373329 /nfs/dbraw/zinc/37/33/29/648373329.db2.gz ZUYPWJNTWLIWPE-OAHLLOKOSA-N 1 0 392.301 2.144 20 0 GEADRO COCC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCC1 ZINC000419736659 648373338 /nfs/dbraw/zinc/37/33/38/648373338.db2.gz TVQKCSCKZTYPIX-UHFFFAOYSA-N 1 0 391.331 2.393 20 0 GEADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419760410 648375881 /nfs/dbraw/zinc/37/58/81/648375881.db2.gz NYXWAPDSKHSWNK-JTQLQIEISA-N 1 0 396.221 2.079 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC[NH2+]1 ZINC000419763738 648376467 /nfs/dbraw/zinc/37/64/67/648376467.db2.gz VEPQMQGCABBICZ-QMMMGPOBSA-N 1 0 396.221 2.031 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)c1cc(F)cc(Br)c1 ZINC000419768802 648376671 /nfs/dbraw/zinc/37/66/71/648376671.db2.gz CHEAIMLFKBJSDE-QMTHXVAHSA-N 1 0 388.281 2.127 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000419769479 648376703 /nfs/dbraw/zinc/37/67/03/648376703.db2.gz CRFPXUPMILOQGQ-GJZGRUSLSA-N 1 0 398.276 2.009 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419776490 648377646 /nfs/dbraw/zinc/37/76/46/648377646.db2.gz KTOOCSXOAZGBPN-XPTSAGLGSA-N 1 0 386.265 2.009 20 0 GEADRO O=C(N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419784127 648378517 /nfs/dbraw/zinc/37/85/17/648378517.db2.gz UGVINDJQFKQDQE-CABCVRRESA-N 1 0 398.276 2.024 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1cc(F)cc(Br)c1 ZINC000419786006 648378573 /nfs/dbraw/zinc/37/85/73/648378573.db2.gz XTTYAJVRTCRREI-CYBMUJFWSA-N 1 0 386.265 2.153 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419784047 648378611 /nfs/dbraw/zinc/37/86/11/648378611.db2.gz TYKFNVFGAAOWRZ-PKSQDBQZSA-N 1 0 398.301 2.021 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419799556 648379606 /nfs/dbraw/zinc/37/96/06/648379606.db2.gz DMFYTVZNBIOBDK-UHFFFAOYSA-N 1 0 388.331 2.247 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)cc3Cl)C[C@H]21 ZINC000419797031 648379622 /nfs/dbraw/zinc/37/96/22/648379622.db2.gz RIGTVQHLAOMKHO-JGGQBBKZSA-N 1 0 384.307 2.238 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419806961 648380561 /nfs/dbraw/zinc/38/05/61/648380561.db2.gz FPYSCUOEQJXROT-HNNXBMFYSA-N 1 0 398.345 2.477 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419824246 648382340 /nfs/dbraw/zinc/38/23/40/648382340.db2.gz PKBIXGGDYGECFL-WBMJQRKESA-N 1 0 396.329 2.130 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000419830401 648383204 /nfs/dbraw/zinc/38/32/04/648383204.db2.gz VZFWMQKAJQQIHP-BETUJISGSA-N 1 0 396.329 2.052 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)NCCCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000419832357 648383526 /nfs/dbraw/zinc/38/35/26/648383526.db2.gz NTBLOCSGTHTLGV-NSHDSACASA-N 1 0 376.284 2.074 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419836638 648384166 /nfs/dbraw/zinc/38/41/66/648384166.db2.gz ZMRRYAKRANBRDE-IVMMDQJWSA-N 1 0 396.329 2.130 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000419840256 648384407 /nfs/dbraw/zinc/38/44/07/648384407.db2.gz DABURESJIHMFTH-UHFFFAOYSA-N 1 0 396.329 2.189 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419845731 648384843 /nfs/dbraw/zinc/38/48/43/648384843.db2.gz FVQLAOBLNRIORG-UHFFFAOYSA-N 1 0 394.313 2.023 20 0 GEADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419848463 648384986 /nfs/dbraw/zinc/38/49/86/648384986.db2.gz VPBIWEPETBHGRR-MRXNPFEDSA-N 1 0 394.313 2.023 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419848988 648385224 /nfs/dbraw/zinc/38/52/24/648385224.db2.gz XKNAVRVOFONKMX-OAHLLOKOSA-N 1 0 382.302 2.054 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)NCCC[NH2+]C)Oc1ccc(Cl)c(Cl)c1 ZINC000419849724 648385451 /nfs/dbraw/zinc/38/54/51/648385451.db2.gz ZHWUVQRBUBSRJM-LBPRGKRZSA-N 1 0 390.311 2.335 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419862958 648385783 /nfs/dbraw/zinc/38/57/83/648385783.db2.gz DHINRQFDEJNBNK-HIFPTAJRSA-N 1 0 382.302 2.355 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000419869404 648386325 /nfs/dbraw/zinc/38/63/25/648386325.db2.gz WCAYNBHOZPYBDG-XJKSGUPXSA-N 1 0 381.929 2.072 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419867986 648386404 /nfs/dbraw/zinc/38/64/04/648386404.db2.gz VHZBWECKGNGRDU-CZUORRHYSA-N 1 0 394.313 2.228 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419917015 648388670 /nfs/dbraw/zinc/38/86/70/648388670.db2.gz FSGMROMZFVZGHY-HNNXBMFYSA-N 1 0 382.302 2.228 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000419931803 648389523 /nfs/dbraw/zinc/38/95/23/648389523.db2.gz DBPNMPSCCHENFX-LRDDRELGSA-N 1 0 396.329 2.393 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000419945639 648390781 /nfs/dbraw/zinc/39/07/81/648390781.db2.gz KJQQPLJNRCCSBM-BLLLJJGKSA-N 1 0 377.535 2.255 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419972439 648392034 /nfs/dbraw/zinc/39/20/34/648392034.db2.gz YQPGNLKVNUUMCQ-INIZCTEOSA-N 1 0 396.329 2.431 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000419978492 648392260 /nfs/dbraw/zinc/39/22/60/648392260.db2.gz ODBLFYRTOJDCIW-QWRGUYRKSA-N 1 0 388.331 2.146 20 0 GEADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419984485 648392713 /nfs/dbraw/zinc/39/27/13/648392713.db2.gz DIKFKRVUHFKNML-BPUTZDHNSA-N 1 0 394.313 2.356 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419989073 648393262 /nfs/dbraw/zinc/39/32/62/648393262.db2.gz YQLDQSZDLLCCSI-OAHLLOKOSA-N 1 0 382.302 2.040 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000419990255 648393785 /nfs/dbraw/zinc/39/37/85/648393785.db2.gz ZQMJAGKJDDBCCP-CYBMUJFWSA-N 1 0 390.709 2.160 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000420022020 648396493 /nfs/dbraw/zinc/39/64/93/648396493.db2.gz VHLZJSYRTQXIDF-OAHLLOKOSA-N 1 0 396.329 2.039 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420060460 648398904 /nfs/dbraw/zinc/39/89/04/648398904.db2.gz KOXXXHPNTPUHND-MRXNPFEDSA-N 1 0 396.329 2.287 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000420079311 648400138 /nfs/dbraw/zinc/40/01/38/648400138.db2.gz PWKPYBZUYBGUEH-ZDUSSCGKSA-N 1 0 386.265 2.105 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000420081088 648400224 /nfs/dbraw/zinc/40/02/24/648400224.db2.gz MKSLVVNRSKKFDD-UHFFFAOYSA-N 1 0 376.320 2.103 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CCC1 ZINC000420088492 648400513 /nfs/dbraw/zinc/40/05/13/648400513.db2.gz HUCOUCBTLYBOOV-UHFFFAOYSA-N 1 0 381.929 2.421 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CCC1 ZINC000420086912 648400542 /nfs/dbraw/zinc/40/05/42/648400542.db2.gz DXZTXEKNZKKNFX-CQSZACIVSA-N 1 0 380.286 2.110 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000420103284 648401972 /nfs/dbraw/zinc/40/19/72/648401972.db2.gz PDVKYUNUXYIJKX-XJKSGUPXSA-N 1 0 377.535 2.453 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420115274 648402269 /nfs/dbraw/zinc/40/22/69/648402269.db2.gz GMTBBUBJZFWROV-ACJLOTCBSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000420119154 648402799 /nfs/dbraw/zinc/40/27/99/648402799.db2.gz NDTIRWBLCLLVKW-UHOFOFEASA-N 1 0 394.313 2.227 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000420124827 648403796 /nfs/dbraw/zinc/40/37/96/648403796.db2.gz OZQJUKJLKKSTAE-NSHDSACASA-N 1 0 376.320 2.103 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000420127238 648403887 /nfs/dbraw/zinc/40/38/87/648403887.db2.gz OTGFINPLIRIKEG-DAXOMENPSA-N 1 0 394.313 2.227 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420137617 648405042 /nfs/dbraw/zinc/40/50/42/648405042.db2.gz LPTXSOXDZHEAIA-LBPRGKRZSA-N 1 0 380.286 2.004 20 0 GEADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000420148275 648406116 /nfs/dbraw/zinc/40/61/16/648406116.db2.gz UCZWWCZFHPZCRM-ZDUSSCGKSA-N 1 0 396.329 2.053 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000420158038 648406701 /nfs/dbraw/zinc/40/67/01/648406701.db2.gz HKVZSKACLCBMSF-VBNZEHGJSA-N 1 0 394.313 2.369 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420158036 648406708 /nfs/dbraw/zinc/40/67/08/648406708.db2.gz HKVZSKACLCBMSF-RCBQFDQVSA-N 1 0 394.313 2.369 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000420163148 648407263 /nfs/dbraw/zinc/40/72/63/648407263.db2.gz ZMBMAFLZHDHLHC-CYBMUJFWSA-N 1 0 396.329 2.269 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000420176314 648408317 /nfs/dbraw/zinc/40/83/17/648408317.db2.gz WOTZIGMGKZNNBL-ABAIWWIYSA-N 1 0 388.295 2.008 20 0 GEADRO O=c1c(Cl)c(Cl)cnn1-c1ccc(NC[C@H]2C[NH2+]C[C@@H]2O)c(Cl)c1 ZINC000420257410 648411945 /nfs/dbraw/zinc/41/19/45/648411945.db2.gz WIKAWOBBEBFPOM-OQPBUACISA-N 1 0 389.670 2.185 20 0 GEADRO C[C@@H](NC(=O)CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC000420351025 648413503 /nfs/dbraw/zinc/41/35/03/648413503.db2.gz VPFXUYGDADSABI-UKRRQHHQSA-N 1 0 385.339 2.150 20 0 GEADRO C[C@@H](NC(=O)CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000420350445 648413651 /nfs/dbraw/zinc/41/36/51/648413651.db2.gz SVDSKODFJCARPM-UKRRQHHQSA-N 1 0 385.339 2.150 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)Nc1ccccc1I ZINC000420365134 648414792 /nfs/dbraw/zinc/41/47/92/648414792.db2.gz KVGYMUBGQLVPLD-ZDUSSCGKSA-N 1 0 387.265 2.207 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N(C)CC[NH3+] ZINC000420377814 648415159 /nfs/dbraw/zinc/41/51/59/648415159.db2.gz LFZYSJNUZSNLDS-QMMMGPOBSA-N 1 0 379.096 2.429 20 0 GEADRO O=C(CN1CC[C@]2(CCC[NH2+]2)C1)Nc1ccc(I)cc1 ZINC000420400001 648415847 /nfs/dbraw/zinc/41/58/47/648415847.db2.gz ISTSCPBFZBRNLE-OAHLLOKOSA-N 1 0 385.249 2.058 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@H]3CC[C@@H](C[NH3+])C3)ccc2s1 ZINC000420465737 648418635 /nfs/dbraw/zinc/41/86/35/648418635.db2.gz ZDSVQMZOPHOKTD-YPMHNXCESA-N 1 0 382.507 2.484 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000420471935 648419602 /nfs/dbraw/zinc/41/96/02/648419602.db2.gz CAYOGRAHVGELQP-YRGRVCCFSA-N 1 0 376.906 2.173 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420471494 648419792 /nfs/dbraw/zinc/41/97/92/648419792.db2.gz ATAVHAXZAXZRFD-NXEZZACHSA-N 1 0 395.294 2.202 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420472047 648419810 /nfs/dbraw/zinc/41/98/10/648419810.db2.gz YWSPAXNGBCJKIB-IUODEOHRSA-N 1 0 386.901 2.279 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000420476058 648420921 /nfs/dbraw/zinc/42/09/21/648420921.db2.gz HTJUGILGKHLYDV-MNOVXSKESA-N 1 0 377.304 2.063 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420482451 648421417 /nfs/dbraw/zinc/42/14/17/648421417.db2.gz UHJFTRKLLZGXPP-KGLIPLIRSA-N 1 0 390.933 2.361 20 0 GEADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000420656205 648427398 /nfs/dbraw/zinc/42/73/98/648427398.db2.gz DLRACQOKDNFWGZ-CQSZACIVSA-N 1 0 375.579 2.204 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420678282 648433842 /nfs/dbraw/zinc/43/38/42/648433842.db2.gz UKRRYZVAHJOJML-GFCCVEGCSA-N 1 0 384.420 2.062 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000420739847 648446385 /nfs/dbraw/zinc/44/63/85/648446385.db2.gz QNHYUEIXNQDCGU-GFCCVEGCSA-N 1 0 377.304 2.172 20 0 GEADRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420970143 648459638 /nfs/dbraw/zinc/45/96/38/648459638.db2.gz GDJFDLVZOKHYHG-CYBMUJFWSA-N 1 0 375.270 2.474 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)C(=O)NCCc1cccc(Br)c1 ZINC000420981858 648461218 /nfs/dbraw/zinc/46/12/18/648461218.db2.gz WZWJGACFXDTIPY-UHFFFAOYSA-N 1 0 396.329 2.100 20 0 GEADRO CN(CC(=O)Nc1ccc(I)cc1)C[C@H]1CCC[N@@H+]1C ZINC000420999782 648461717 /nfs/dbraw/zinc/46/17/17/648461717.db2.gz JSJOTLOVPWJZHC-CQSZACIVSA-N 1 0 387.265 2.256 20 0 GEADRO COC1([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCOCC1 ZINC000421042241 648463059 /nfs/dbraw/zinc/46/30/59/648463059.db2.gz YYTFDKFTRAEXQC-UKRRQHHQSA-N 1 0 388.302 2.363 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421227237 648474586 /nfs/dbraw/zinc/47/45/86/648474586.db2.gz PYDJEZSMIQJXFL-SWLSCSKDSA-N 1 0 394.313 2.137 20 0 GEADRO CC[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)OC ZINC000421230792 648475160 /nfs/dbraw/zinc/47/51/60/648475160.db2.gz VNYMVKJUYJQJLE-CQSZACIVSA-N 1 0 375.922 2.259 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000421296055 648485071 /nfs/dbraw/zinc/48/50/71/648485071.db2.gz JCZDRPOYHVZFIM-SNVBAGLBSA-N 1 0 390.228 2.218 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000421371064 648488601 /nfs/dbraw/zinc/48/86/01/648488601.db2.gz ZXKIAKAPHDCJDH-HZSPNIEDSA-N 1 0 399.329 2.413 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)s2)[C@H](C)C1 ZINC000421467748 648494324 /nfs/dbraw/zinc/49/43/24/648494324.db2.gz JMVIMBDJVRQNSX-ZIAGYGMSSA-N 1 0 388.555 2.018 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)COc1cccc(I)c1 ZINC000421709308 648506125 /nfs/dbraw/zinc/50/61/25/648506125.db2.gz DMVBGGMPBMMSID-ZDUSSCGKSA-N 1 0 388.249 2.223 20 0 GEADRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000422083156 648520026 /nfs/dbraw/zinc/52/00/26/648520026.db2.gz HJILIYUZXMIWJY-RYUDHWBXSA-N 1 0 377.304 2.144 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000422087923 648520535 /nfs/dbraw/zinc/52/05/35/648520535.db2.gz RJZIBMOTBXHEJY-HOTGVXAUSA-N 1 0 394.313 2.117 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]1Cc1ccccc1Br ZINC000422120066 648523529 /nfs/dbraw/zinc/52/35/29/648523529.db2.gz TVPNUNPXOOPAFN-OAHLLOKOSA-N 1 0 396.329 2.003 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422300720 648534727 /nfs/dbraw/zinc/53/47/27/648534727.db2.gz DHEWMQUFGBNHDG-OAHLLOKOSA-N 1 0 396.329 2.364 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000422319121 648536281 /nfs/dbraw/zinc/53/62/81/648536281.db2.gz KCEKZLUZDGZJEZ-HZPDHXFCSA-N 1 0 396.329 2.097 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cc(C)ccc2Br)C1 ZINC000422521548 648556206 /nfs/dbraw/zinc/55/62/06/648556206.db2.gz SPZYJFSBVKXAJL-CQSZACIVSA-N 1 0 396.329 2.174 20 0 GEADRO COc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1Br ZINC000422551014 648558098 /nfs/dbraw/zinc/55/80/98/648558098.db2.gz CRLONBIOXBXPCQ-UTUOFQBUSA-N 1 0 391.331 2.452 20 0 GEADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@H]1C[NH3+] ZINC000422555068 648558804 /nfs/dbraw/zinc/55/88/04/648558804.db2.gz OELZFDAQHVDPJI-GRYCIOLGSA-N 1 0 381.420 2.017 20 0 GEADRO O=C(NCc1cn2cc(Br)ccc2n1)N1CCC2(CC[NH2+]2)CC1 ZINC000422600349 648561619 /nfs/dbraw/zinc/56/16/19/648561619.db2.gz SYILZKYFJPYNCE-UHFFFAOYSA-N 1 0 378.274 2.134 20 0 GEADRO Brc1ccccc1N1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422703486 648573618 /nfs/dbraw/zinc/57/36/18/648573618.db2.gz HVIKXEICFGAKSF-WBAXXEDZSA-N 1 0 380.330 2.384 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000422961677 648578797 /nfs/dbraw/zinc/57/87/97/648578797.db2.gz ZOLLDWDXGFEKCP-OAHLLOKOSA-N 1 0 387.571 2.173 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])s1 ZINC000422961325 648578932 /nfs/dbraw/zinc/57/89/32/648578932.db2.gz YWMIWORLEMEEFK-SWLSCSKDSA-N 1 0 375.560 2.014 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422977473 648579750 /nfs/dbraw/zinc/57/97/50/648579750.db2.gz FNCPNACONJRNQW-CQSZACIVSA-N 1 0 382.291 2.451 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423108570 648580873 /nfs/dbraw/zinc/58/08/73/648580873.db2.gz UBAQCIJEJHDVBO-FZKQIMNGSA-N 1 0 396.329 2.241 20 0 GEADRO CC[C@@H](NCC(=O)Nc1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000423108944 648580897 /nfs/dbraw/zinc/58/08/97/648580897.db2.gz RUEJCYNDWVLBME-KGLIPLIRSA-N 1 0 387.265 2.350 20 0 GEADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000423109739 648580979 /nfs/dbraw/zinc/58/09/79/648580979.db2.gz SZNJMWUMJHMJSR-BBRMVZONSA-N 1 0 396.329 2.353 20 0 GEADRO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1c(Br)cncc1Br ZINC000423155074 648584982 /nfs/dbraw/zinc/58/49/82/648584982.db2.gz ISZKUZWWZLCIEE-PLMOITTCSA-N 1 0 393.123 2.449 20 0 GEADRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423153503 648585109 /nfs/dbraw/zinc/58/51/09/648585109.db2.gz HLSUVNQWUUQHEU-SNPRPXQTSA-N 1 0 389.309 2.096 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000423163990 648585505 /nfs/dbraw/zinc/58/55/05/648585505.db2.gz RZMPBJZCTNAOBL-GDIGMMSISA-N 1 0 397.357 2.265 20 0 GEADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000423168662 648586128 /nfs/dbraw/zinc/58/61/28/648586128.db2.gz HOPWZPYSANYJAG-HNNXBMFYSA-N 1 0 382.302 2.181 20 0 GEADRO [NH3+]CCCn1cc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)nn1 ZINC000423191250 648587201 /nfs/dbraw/zinc/58/72/01/648587201.db2.gz OUGZOTOHNCBXKI-UHFFFAOYSA-N 1 0 377.754 2.474 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)NC2(c3cccc(Br)c3)CC2)nn1 ZINC000423223861 648587875 /nfs/dbraw/zinc/58/78/75/648587875.db2.gz AZXDBHDMKQCISD-UHFFFAOYSA-N 1 0 378.274 2.199 20 0 GEADRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423244006 648588244 /nfs/dbraw/zinc/58/82/44/648588244.db2.gz WZYLBPXSMZROAI-KRWDZBQOSA-N 1 0 385.302 2.303 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)C1 ZINC000423236585 648588333 /nfs/dbraw/zinc/58/83/33/648588333.db2.gz OKAMNJFFCJKZEX-GFCCVEGCSA-N 1 0 384.307 2.336 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423269530 648588763 /nfs/dbraw/zinc/58/87/63/648588763.db2.gz HDPFDIYKVZGBCK-CYBMUJFWSA-N 1 0 380.290 2.141 20 0 GEADRO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)s1 ZINC000423386926 648590146 /nfs/dbraw/zinc/59/01/46/648590146.db2.gz LSZWRXHGVAYMIF-BDAKNGLRSA-N 1 0 387.269 2.392 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423469014 648591535 /nfs/dbraw/zinc/59/15/35/648591535.db2.gz ZUJBMRUQFVNOIH-UHFFFAOYSA-N 1 0 384.318 2.159 20 0 GEADRO C[C@@H](CN(C)C(=O)C(=O)N1CC[C@H](C[NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000423468619 648591672 /nfs/dbraw/zinc/59/16/72/648591672.db2.gz ORAANTHXCAYIKW-NWDGAFQWSA-N 1 0 388.295 2.026 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000423481680 648592159 /nfs/dbraw/zinc/59/21/59/648592159.db2.gz QJIKICSEIYFONJ-AWEZNQCLSA-N 1 0 381.929 2.243 20 0 GEADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423482833 648592481 /nfs/dbraw/zinc/59/24/81/648592481.db2.gz RDTHHXGBSRCVGL-KPZWWZAWSA-N 1 0 394.313 2.092 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000423488630 648592685 /nfs/dbraw/zinc/59/26/85/648592685.db2.gz WHZCJSIOTOZEQQ-CZUORRHYSA-N 1 0 375.485 2.365 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423500770 648593051 /nfs/dbraw/zinc/59/30/51/648593051.db2.gz DFGAIEWCGXEFJW-XOKHGSTOSA-N 1 0 376.298 2.345 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N2CC[C@H](C[NH3+])C2)ccc1Br ZINC000423517495 648594146 /nfs/dbraw/zinc/59/41/46/648594146.db2.gz HPMYQUNGEDKDNR-CZUORRHYSA-N 1 0 394.313 2.228 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2ccccc2Br)CC(C)C)C1 ZINC000423522183 648594190 /nfs/dbraw/zinc/59/41/90/648594190.db2.gz UCZWVJWSYMEQIC-OAHLLOKOSA-N 1 0 396.329 2.254 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(c3cccc(Br)c3)CC2)C1 ZINC000423534416 648594601 /nfs/dbraw/zinc/59/46/01/648594601.db2.gz VXUAKNJTWYPRIL-INIZCTEOSA-N 1 0 394.313 2.105 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423525963 648594682 /nfs/dbraw/zinc/59/46/82/648594682.db2.gz YWNJZGNDXGMCQV-AWEZNQCLSA-N 1 0 396.329 2.241 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423570305 648595964 /nfs/dbraw/zinc/59/59/64/648595964.db2.gz UGDHORQPPUMJIJ-SJKOYZFVSA-N 1 0 382.302 2.166 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423588974 648596607 /nfs/dbraw/zinc/59/66/07/648596607.db2.gz DKZGNSREYIHDBO-DZGCQCFKSA-N 1 0 396.329 2.241 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000423595535 648597136 /nfs/dbraw/zinc/59/71/36/648597136.db2.gz LIQSJVMWGOIVQY-CQSZACIVSA-N 1 0 382.302 2.008 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423629954 648597737 /nfs/dbraw/zinc/59/77/37/648597737.db2.gz XZIDGUADKJMLAF-MRXNPFEDSA-N 1 0 398.345 2.282 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423695501 648599874 /nfs/dbraw/zinc/59/98/74/648599874.db2.gz LGWCDGVEKRBNFW-YJBOKZPZSA-N 1 0 381.929 2.230 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000423707949 648600361 /nfs/dbraw/zinc/60/03/61/648600361.db2.gz UNEKWOFQOQEJES-CYBMUJFWSA-N 1 0 396.329 2.135 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N(C)[C@@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000423715346 648600429 /nfs/dbraw/zinc/60/04/29/648600429.db2.gz HINCOOPVZYLJQL-WDEREUQCSA-N 1 0 376.284 2.025 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000423745871 648601321 /nfs/dbraw/zinc/60/13/21/648601321.db2.gz OPNNHILUVJZPSB-AWEZNQCLSA-N 1 0 382.302 2.008 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)COc1cccc(I)c1 ZINC000423753882 648601830 /nfs/dbraw/zinc/60/18/30/648601830.db2.gz YPRCWUUHYARORP-ZDUSSCGKSA-N 1 0 388.249 2.174 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C1 ZINC000423746910 648602029 /nfs/dbraw/zinc/60/20/29/648602029.db2.gz YFMRBIXWBWMHDZ-ZFWWWQNUSA-N 1 0 396.329 2.036 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[C@H](C)CC[NH2+]3)C2=O)ccc1Br ZINC000423843919 648602452 /nfs/dbraw/zinc/60/24/52/648602452.db2.gz MYZFUKHLEBRZQN-XFBWCDHKSA-N 1 0 394.313 2.367 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423946785 648604700 /nfs/dbraw/zinc/60/47/00/648604700.db2.gz VPJGMYXVEDKFDP-MWLCHTKSSA-N 1 0 388.331 2.263 20 0 GEADRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@@]1(C)C[NH3+] ZINC000423975089 648606348 /nfs/dbraw/zinc/60/63/48/648606348.db2.gz LBIZXOZFBUCJIK-PIGZYNQJSA-N 1 0 383.286 2.206 20 0 GEADRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc(I)c[nH]1 ZINC000423971923 648606453 /nfs/dbraw/zinc/60/64/53/648606453.db2.gz LBDKGJIDZRDIHE-GXTWGEPZSA-N 1 0 381.217 2.105 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423977678 648606792 /nfs/dbraw/zinc/60/67/92/648606792.db2.gz WUEVCZIMMVCNHT-TUKIKUTGSA-N 1 0 382.302 2.152 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CCc3cccc(Br)c3)C2)nn1 ZINC000424000146 648607863 /nfs/dbraw/zinc/60/78/63/648607863.db2.gz LODCUEBWSXPDKY-MRXNPFEDSA-N 1 0 392.301 2.296 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)Cc3ccc(Br)c(F)c3)C2)nn1 ZINC000423997753 648607990 /nfs/dbraw/zinc/60/79/90/648607990.db2.gz AFKBJPXTKIEAMJ-ZDUSSCGKSA-N 1 0 396.264 2.045 20 0 GEADRO C[C@@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C[NH3+] ZINC000424000759 648608536 /nfs/dbraw/zinc/60/85/36/648608536.db2.gz OORVSFJJOSDCQI-YPMHNXCESA-N 1 0 383.286 2.206 20 0 GEADRO C[C@@H]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000424013619 648609748 /nfs/dbraw/zinc/60/97/48/648609748.db2.gz KSLVWPZZAPEWBI-GHMZBOCLSA-N 1 0 388.331 2.026 20 0 GEADRO COc1ccc(Br)c(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000424102242 648613751 /nfs/dbraw/zinc/61/37/51/648613751.db2.gz ARFWBUDPRAEVTM-SNVBAGLBSA-N 1 0 380.246 2.226 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1I ZINC000424359663 648623182 /nfs/dbraw/zinc/62/31/82/648623182.db2.gz DMSIKPXCHSFOTO-CHWSQXEVSA-N 1 0 394.278 2.148 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1C(F)(F)F ZINC000424362550 648623439 /nfs/dbraw/zinc/62/34/39/648623439.db2.gz MAAFWKNMXNGCFJ-CHWSQXEVSA-N 1 0 380.388 2.040 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Cl ZINC000424396825 648627308 /nfs/dbraw/zinc/62/73/08/648627308.db2.gz YEKKZUTUQGKEIF-LBPRGKRZSA-N 1 0 386.901 2.279 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424464314 648629373 /nfs/dbraw/zinc/62/93/73/648629373.db2.gz HUYFXCNMYVYDAA-LLVKDONJSA-N 1 0 381.645 2.481 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424472892 648629926 /nfs/dbraw/zinc/62/99/26/648629926.db2.gz VOXYUNRSYUTAMN-HTQZYQBOSA-N 1 0 381.645 2.480 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424472894 648629987 /nfs/dbraw/zinc/62/99/87/648629987.db2.gz VOXYUNRSYUTAMN-SFYZADRCSA-N 1 0 381.645 2.480 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)Cc1noc2ccc(Br)cc12 ZINC000424585620 648636708 /nfs/dbraw/zinc/63/67/08/648636708.db2.gz QMNVIOAZBXQWKI-UHFFFAOYSA-N 1 0 384.274 2.217 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000424828363 648650670 /nfs/dbraw/zinc/65/06/70/648650670.db2.gz NKWGOWWWWZBVEV-UHFFFAOYSA-N 1 0 397.317 2.133 20 0 GEADRO Cc1oc(Br)cc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000424848089 648652548 /nfs/dbraw/zinc/65/25/48/648652548.db2.gz NUUPIHJOHYCCKG-UHFFFAOYSA-N 1 0 386.290 2.073 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc21)NC[C@@H]1CCCC[N@H+]1CCO ZINC000424860119 648653881 /nfs/dbraw/zinc/65/38/81/648653881.db2.gz DMKHYUAEOMOYLP-ZDUSSCGKSA-N 1 0 396.285 2.096 20 0 GEADRO CCn1nncc1C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425346958 648673939 /nfs/dbraw/zinc/67/39/39/648673939.db2.gz KBNHBHDZRQNEGW-CVEARBPZSA-N 1 0 393.285 2.449 20 0 GEADRO CC[N@H+](CCNC(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F)CCC(F)(F)F ZINC000425990025 648703099 /nfs/dbraw/zinc/70/30/99/648703099.db2.gz VRNLMLVDLALWJI-GHMZBOCLSA-N 1 0 379.345 2.358 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000428556412 648736201 /nfs/dbraw/zinc/73/62/01/648736201.db2.gz FSOZUBBEZHBJEX-ZIAGYGMSSA-N 1 0 386.334 2.240 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000429108888 648744676 /nfs/dbraw/zinc/74/46/76/648744676.db2.gz IQVDTBZOMCZHCO-BBRMVZONSA-N 1 0 396.329 2.319 20 0 GEADRO Cc1cc(CC(C)(C)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)ccc1Br ZINC000429237226 648747766 /nfs/dbraw/zinc/74/77/66/648747766.db2.gz WLHRJINNTUJWIB-ZDUSSCGKSA-N 1 0 398.345 2.261 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429265985 648748602 /nfs/dbraw/zinc/74/86/02/648748602.db2.gz IDMDJJOTDYDWGF-INIZCTEOSA-N 1 0 385.306 2.450 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000429282081 648749184 /nfs/dbraw/zinc/74/91/84/648749184.db2.gz AEKQFWDLAHNZIM-LNSITVRQSA-N 1 0 382.302 2.201 20 0 GEADRO OCCN(CC[N@@H+]1CCCOCC1)Cc1cc(Br)ccc1F ZINC000429687623 648750241 /nfs/dbraw/zinc/75/02/41/648750241.db2.gz UPPDQOKYGDGUHJ-UHFFFAOYSA-N 1 0 375.282 2.105 20 0 GEADRO O=C(COC1C[NH2+]C1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000429834339 648753310 /nfs/dbraw/zinc/75/33/10/648753310.db2.gz SPRVPAUKFOKZBJ-UHFFFAOYSA-N 1 0 382.283 2.423 20 0 GEADRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000429841207 648754282 /nfs/dbraw/zinc/75/42/82/648754282.db2.gz DOTSIWDINMQIPI-HOTGVXAUSA-N 1 0 387.933 2.032 20 0 GEADRO CC[N@H+](CCN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)C ZINC000430708758 648765809 /nfs/dbraw/zinc/76/58/09/648765809.db2.gz KQCTVVNBPNLUOY-GFCCVEGCSA-N 1 0 392.363 2.477 20 0 GEADRO CC[NH+](CC)C[C@H](C)N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430711089 648765895 /nfs/dbraw/zinc/76/58/95/648765895.db2.gz VMUQTVGNBYQDDG-RYUDHWBXSA-N 1 0 392.363 2.477 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723995 648766205 /nfs/dbraw/zinc/76/62/05/648766205.db2.gz UNFAAPOJPAZPFB-LOWVWBTDSA-N 1 0 391.331 2.298 20 0 GEADRO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430726482 648766428 /nfs/dbraw/zinc/76/64/28/648766428.db2.gz WGVZJNMWAXAYQA-MDZLAQPJSA-N 1 0 390.347 2.230 20 0 GEADRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430741007 648767513 /nfs/dbraw/zinc/76/75/13/648767513.db2.gz HOFMOXNULQCZDV-OIFMLDNNSA-N 1 0 377.304 2.074 20 0 GEADRO COCC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000430899139 648769282 /nfs/dbraw/zinc/76/92/82/648769282.db2.gz YYOKVOHKIKHMDW-QAPCUYQASA-N 1 0 396.329 2.160 20 0 GEADRO C[NH2+]C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000430936542 648770429 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C[NH+](C)[C@H](CNc1cnn(-c2ccccn2)c(=O)c1Br)C1CC1 ZINC000549488842 651097647 /nfs/dbraw/zinc/09/76/47/651097647.db2.gz JDTBDCLIYQUHAU-CYBMUJFWSA-N 1 0 378.274 2.142 20 0 GEADRO CCOCC(C)(C)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000549815219 651101156 /nfs/dbraw/zinc/10/11/56/651101156.db2.gz MPQSIXDMUCHGPE-UHFFFAOYSA-N 1 0 389.327 2.442 20 0 GEADRO C[C@@H](NC(=O)c1cccc(Br)c1)C(=O)NCC[NH+]1CCCCC1 ZINC000550137953 651105513 /nfs/dbraw/zinc/10/55/13/651105513.db2.gz QWMHGUMIJHMWEL-CYBMUJFWSA-N 1 0 382.302 2.170 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000550327536 651109432 /nfs/dbraw/zinc/10/94/32/651109432.db2.gz JNXVKHIPSBDMCE-UHFFFAOYSA-N 1 0 388.281 2.005 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000550329628 651109589 /nfs/dbraw/zinc/10/95/89/651109589.db2.gz BSUURKVCEBNJJB-AWEZNQCLSA-N 1 0 398.345 2.344 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1c(I)cnn1C ZINC000550441768 651111426 /nfs/dbraw/zinc/11/14/26/651111426.db2.gz OVRKRZSBYLXZCN-QWRGUYRKSA-N 1 0 390.269 2.017 20 0 GEADRO CS(=O)(=O)C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000550699265 651114051 /nfs/dbraw/zinc/11/40/51/651114051.db2.gz GVGAFENMBBNNGF-MLGOLLRUSA-N 1 0 379.444 2.269 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000550710718 651114153 /nfs/dbraw/zinc/11/41/53/651114153.db2.gz YDOVGQVXSSDNAN-OAHLLOKOSA-N 1 0 384.318 2.356 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000550850576 651116056 /nfs/dbraw/zinc/11/60/56/651116056.db2.gz KHKYUZZRPHGOEL-CVEARBPZSA-N 1 0 396.329 2.097 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1sccc1Br ZINC000551074713 651117919 /nfs/dbraw/zinc/11/79/19/651117919.db2.gz UICLFYXMXOSVND-NSHDSACASA-N 1 0 388.331 2.117 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+][C@H](CCO)c2ccccc2Br)C1 ZINC000551393537 651123813 /nfs/dbraw/zinc/12/38/13/651123813.db2.gz KCTXGCSBTJTHGZ-SWLSCSKDSA-N 1 0 376.316 2.287 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+][C@@H](CCO)c2ccccc2Br)C1 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381.314 2.201 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc2cc(Br)ccc2[nH]1 ZINC000552205850 651143797 /nfs/dbraw/zinc/14/37/97/651143797.db2.gz BUGYVEIXCGJAOG-KRWDZBQOSA-N 1 0 378.270 2.117 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ncc(Br)cn1 ZINC000552385875 651147802 /nfs/dbraw/zinc/14/78/02/651147802.db2.gz OEANVCIPIZVGNJ-RISCZKNCSA-N 1 0 383.290 2.060 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000552886021 651160548 /nfs/dbraw/zinc/16/05/48/651160548.db2.gz PZISONXKBQZHMG-DZGCQCFKSA-N 1 0 396.329 2.281 20 0 GEADRO CC[N@@H+]1CCN(C(=O)COc2cccc(I)c2)[C@H](C)C1 ZINC000552984159 651162038 /nfs/dbraw/zinc/16/20/38/651162038.db2.gz RZGZPGSFUNQOQB-GFCCVEGCSA-N 1 0 388.249 2.223 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000553094574 651164558 /nfs/dbraw/zinc/16/45/58/651164558.db2.gz HRBDRSDXBXBLHL-NSHDSACASA-N 1 0 390.347 2.316 20 0 GEADRO Cc1nc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c(Br)s1 ZINC000553146486 651165999 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CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cncc(Br)c2)C[C@H]1C ZINC000607161453 651567306 /nfs/dbraw/zinc/56/73/06/651567306.db2.gz VQGRLBNAXHIIPG-DGCLKSJQSA-N 1 0 376.320 2.337 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1Cl ZINC000607214828 651569823 /nfs/dbraw/zinc/56/98/23/651569823.db2.gz JJHGCZLNNKNPBK-ZDUSSCGKSA-N 1 0 386.905 2.317 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1)C1CC1 ZINC000564613516 651570290 /nfs/dbraw/zinc/57/02/90/651570290.db2.gz ZJXZQCSPXTXFOF-CYBMUJFWSA-N 1 0 380.539 2.432 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000607215750 651570542 /nfs/dbraw/zinc/57/05/42/651570542.db2.gz TTWGFCHBTMKOJX-QWHCGFSZSA-N 1 0 386.905 2.460 20 0 GEADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000729490215 651570831 /nfs/dbraw/zinc/57/08/31/651570831.db2.gz VTZOGXDIGNQULV-UHFFFAOYSA-N 1 0 394.950 2.028 20 0 GEADRO C[NH+]1CCN(c2ccccc2NC(=O)NCc2n[nH]cc2Br)CC1 ZINC000729493620 651571012 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O=c1c(Br)c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1ccccn1 ZINC000645032928 651584221 /nfs/dbraw/zinc/58/42/21/651584221.db2.gz IZIWCTSNFHERIO-OLZOCXBDSA-N 1 0 390.285 2.429 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000564979243 651585799 /nfs/dbraw/zinc/58/57/99/651585799.db2.gz JHIAJDPNAPNJIO-OLZOCXBDSA-N 1 0 384.318 2.428 20 0 GEADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000564994818 651586889 /nfs/dbraw/zinc/58/68/89/651586889.db2.gz TYRIKWLSUWOESO-UONOGXRCSA-N 1 0 384.318 2.458 20 0 GEADRO CN(C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)C1(C[NH3+])CCC1 ZINC000564994501 651587081 /nfs/dbraw/zinc/58/70/81/651587081.db2.gz FUWLGGHZPNPCNU-UHFFFAOYSA-N 1 0 394.324 2.002 20 0 GEADRO C[C@@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccc(Br)cc1 ZINC000645104540 651588609 /nfs/dbraw/zinc/58/86/09/651588609.db2.gz TYFBQVOEWWIBRW-OLZOCXBDSA-N 1 0 397.317 2.272 20 0 GEADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000730078576 651589433 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C[NH+]1CCC2(CCN(C(=O)CNC(=O)c3cccc(Br)c3)C2)CC1 ZINC000646246623 651683515 /nfs/dbraw/zinc/68/35/15/651683515.db2.gz PAPPNKBNVROLRO-UHFFFAOYSA-N 1 0 394.313 2.123 20 0 GEADRO O[C@@H](C[NH2+]CCc1cc(Br)ccc1F)COC1CCOCC1 ZINC000568857716 651685035 /nfs/dbraw/zinc/68/50/35/651685035.db2.gz NJILRYILOLHDBD-AWEZNQCLSA-N 1 0 376.266 2.277 20 0 GEADRO CN(C(=O)CCC(=O)c1ccc(I)cc1)[C@@H]1CC[NH2+]C1 ZINC000568866583 651685486 /nfs/dbraw/zinc/68/54/86/651685486.db2.gz UVOKCUXPJIEEAH-CYBMUJFWSA-N 1 0 386.233 2.074 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000568878885 651686728 /nfs/dbraw/zinc/68/67/28/651686728.db2.gz GCUAQYVBDCSDPM-QGZVFWFLSA-N 1 0 396.329 2.238 20 0 GEADRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(I)cc1 ZINC000610799306 651687675 /nfs/dbraw/zinc/68/76/75/651687675.db2.gz UARKLQYXVBDNJK-LLVKDONJSA-N 1 0 396.294 2.223 20 0 GEADRO O=C(CCCc1cccc(Br)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363828 651692633 /nfs/dbraw/zinc/69/26/33/651692633.db2.gz WTKJSAUBGBMSHK-QGZVFWFLSA-N 1 0 380.330 2.278 20 0 GEADRO Cc1sc(Br)c(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1C ZINC000646458327 651697542 /nfs/dbraw/zinc/69/75/42/651697542.db2.gz SEQSGQFHMLQQHO-UHFFFAOYSA-N 1 0 386.359 2.447 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000569090686 651699789 /nfs/dbraw/zinc/69/97/89/651699789.db2.gz LDEGOECOGCAMTG-UHFFFAOYSA-N 1 0 378.217 2.170 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646543707 651700125 /nfs/dbraw/zinc/70/01/25/651700125.db2.gz FWZIIFGANLWIOP-LBPRGKRZSA-N 1 0 380.905 2.226 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)CC1 ZINC000646543325 651700319 /nfs/dbraw/zinc/70/03/19/651700319.db2.gz NZMKAVDBYBSQPL-UHFFFAOYSA-N 1 0 381.889 2.437 20 0 GEADRO O=C(NCCc1ccc(F)c(Br)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000569110928 651701538 /nfs/dbraw/zinc/70/15/38/651701538.db2.gz YKBJRKIBXBUVJC-GFCCVEGCSA-N 1 0 396.264 2.077 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC([NH2+]CC2CC2)CC1 ZINC000569117044 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Cn1cc(Br)c2ccc(S(=O)(=O)NC[C@@H]3CCC[NH2+]C3)cc21 ZINC000647200059 651735366 /nfs/dbraw/zinc/73/53/66/651735366.db2.gz GQZITZIRKHZJDD-LLVKDONJSA-N 1 0 386.315 2.219 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000647204502 651735876 /nfs/dbraw/zinc/73/58/76/651735876.db2.gz QPPYHIBUJBKBQY-BXUZGUMPSA-N 1 0 384.395 2.046 20 0 GEADRO COc1ncncc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000647216035 651736580 /nfs/dbraw/zinc/73/65/80/651736580.db2.gz RNAQEUCACOSJHP-LBPRGKRZSA-N 1 0 384.249 2.328 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c(F)c1 ZINC000647213047 651736719 /nfs/dbraw/zinc/73/67/19/651736719.db2.gz KBMPMVYUFNGGBK-UHFFFAOYSA-N 1 0 377.363 2.219 20 0 GEADRO Cc1cn2c(C[NH2+]C[C@@H]3CS(=O)(=O)c4ccccc4O3)c(C)nc2s1 ZINC000647223189 651737328 /nfs/dbraw/zinc/73/73/28/651737328.db2.gz GSSCTKHTAOGPSO-CYBMUJFWSA-N 1 0 377.491 2.337 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)CC[C@H]1[NH3+] ZINC000647269966 651738243 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O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000647297302 651742316 /nfs/dbraw/zinc/74/23/16/651742316.db2.gz VZOGQJVYOCHEEA-GFCCVEGCSA-N 1 0 397.850 2.027 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@@](C)(C[NH3+])C3)cc21 ZINC000647291054 651742336 /nfs/dbraw/zinc/74/23/36/651742336.db2.gz CWTKDZDIOWCBBZ-HNNXBMFYSA-N 1 0 386.315 2.300 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc21 ZINC000647304772 651742718 /nfs/dbraw/zinc/74/27/18/651742718.db2.gz FEEWCAZXTJXOML-IAQYHMDHSA-N 1 0 398.326 2.313 20 0 GEADRO Cc1cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c(F)cc1Br ZINC000647304076 651742953 /nfs/dbraw/zinc/74/29/53/651742953.db2.gz VVZTWHDFLCLWEG-CYBMUJFWSA-N 1 0 377.279 2.317 20 0 GEADRO O=S(=O)(c1ccc(Br)cn1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647308352 651743390 /nfs/dbraw/zinc/74/33/90/651743390.db2.gz OFDIPNZNQQLCRS-OLZOCXBDSA-N 1 0 388.331 2.244 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1Cl ZINC000647311152 651743435 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CC[N@H+](C)C[C@@H](O)CN(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000570289846 651758675 /nfs/dbraw/zinc/75/86/75/651758675.db2.gz TUCUNEGYPRNRTO-MRXNPFEDSA-N 1 0 376.328 2.244 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)COc1cccc(Br)c1 ZINC000647822063 651761293 /nfs/dbraw/zinc/76/12/93/651761293.db2.gz PUXMBBKILVZKMI-CVEARBPZSA-N 1 0 383.286 2.150 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000570344452 651761891 /nfs/dbraw/zinc/76/18/91/651761891.db2.gz SIPUYXDXBKOMFC-CQSZACIVSA-N 1 0 397.317 2.228 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000647833513 651762013 /nfs/dbraw/zinc/76/20/13/651762013.db2.gz OMKFFULEAZJMPD-RISCZKNCSA-N 1 0 383.286 2.314 20 0 GEADRO COCC[S@@](=O)Cc1cccc(NC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000734988109 651762211 /nfs/dbraw/zinc/76/22/11/651762211.db2.gz RWDTVRYJOPHGFB-RUZDIDTESA-N 1 0 385.599 2.456 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)c(Br)c1 ZINC000570365651 651763028 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CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000570497755 651771175 /nfs/dbraw/zinc/77/11/75/651771175.db2.gz SFGZTCLCPFJZIZ-CYBMUJFWSA-N 1 0 383.334 2.485 20 0 GEADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@@H](C)C1 ZINC000570500441 651771196 /nfs/dbraw/zinc/77/11/96/651771196.db2.gz LICKACUHYMBATP-YDHLFZDLSA-N 1 0 385.555 2.023 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648048591 651771666 /nfs/dbraw/zinc/77/16/66/651771666.db2.gz SLERALVHXIRLSK-WQVCFCJDSA-N 1 0 392.297 2.377 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCC(C)(C)[NH3+] ZINC000648079190 651773424 /nfs/dbraw/zinc/77/34/24/651773424.db2.gz FFSCNCPRNAPVJV-UHFFFAOYSA-N 1 0 384.318 2.431 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NCc3cccc(Br)c3)C2)nn1 ZINC000570547632 651774553 /nfs/dbraw/zinc/77/45/53/651774553.db2.gz IZZOEYYNFWLUMW-OAHLLOKOSA-N 1 0 393.289 2.046 20 0 GEADRO CC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[NH2+]CC1 ZINC000648108592 651774622 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CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000570782716 651790819 /nfs/dbraw/zinc/79/08/19/651790819.db2.gz FQORKTKMJODAMV-LBPRGKRZSA-N 1 0 398.301 2.372 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC[N@@H+]1C ZINC000648716624 651796453 /nfs/dbraw/zinc/79/64/53/651796453.db2.gz ZKACFSRSYGQAKQ-TZMCWYRMSA-N 1 0 386.359 2.495 20 0 GEADRO C[C@@H]1[C@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000648756004 651799338 /nfs/dbraw/zinc/79/93/38/651799338.db2.gz GMMXCWFKKVPHKV-BXUZGUMPSA-N 1 0 378.274 2.368 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc(Br)cn2)CC1 ZINC000648763978 651800550 /nfs/dbraw/zinc/80/05/50/651800550.db2.gz RLZUZZYZNDQZKR-CYBMUJFWSA-N 1 0 387.322 2.214 20 0 GEADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[NH+]2CCC1CC2 ZINC000613862152 651800746 /nfs/dbraw/zinc/80/07/46/651800746.db2.gz VOLHQSPHMWPOBN-CVEARBPZSA-N 1 0 380.286 2.228 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000570939284 651801036 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O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573120511 651935989 /nfs/dbraw/zinc/93/59/89/651935989.db2.gz SRPFTEDATZLHQT-CQSZACIVSA-N 1 0 382.379 2.489 20 0 GEADRO [NH3+]CC1(CCNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000653218824 651936311 /nfs/dbraw/zinc/93/63/11/651936311.db2.gz MCRNULWUYFCBTQ-AWEZNQCLSA-N 1 0 380.286 2.047 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C[C@H]1C[NH3+] ZINC000653244309 651936813 /nfs/dbraw/zinc/93/68/13/651936813.db2.gz DDVRAPIYSDTKOH-MLGOLLRUSA-N 1 0 393.285 2.275 20 0 GEADRO C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000653240879 651936918 /nfs/dbraw/zinc/93/69/18/651936918.db2.gz UOQCAPMAKYJFSR-IUODEOHRSA-N 1 0 382.302 2.155 20 0 GEADRO CCO[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C[NH3+] ZINC000653245858 651937310 /nfs/dbraw/zinc/93/73/10/651937310.db2.gz QGXGESGULAGWQF-MLGOLLRUSA-N 1 0 393.285 2.071 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000653268911 651938168 /nfs/dbraw/zinc/93/81/68/651938168.db2.gz FSEDXUFUZZQLJJ-UHFFFAOYSA-N 1 0 385.555 2.042 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000617354843 651939808 /nfs/dbraw/zinc/93/98/08/651939808.db2.gz DJDZIEJSGSYQBW-ZDUSSCGKSA-N 1 0 385.555 2.135 20 0 GEADRO C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1c(Cl)cccc1Cl ZINC000573221816 651942859 /nfs/dbraw/zinc/94/28/59/651942859.db2.gz QTXDJUONOSWICG-UHIISALHSA-N 1 0 385.295 2.050 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000617412619 651944705 /nfs/dbraw/zinc/94/47/05/651944705.db2.gz PCMOFQCMNSBZMD-CZUORRHYSA-N 1 0 396.329 2.414 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000653585123 651949028 /nfs/dbraw/zinc/94/90/28/651949028.db2.gz YMHKUJVTSZJLJB-HUUCEWRRSA-N 1 0 383.290 2.215 20 0 GEADRO C[C@@H](OC[C@H](O)C[NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000573357873 651949912 /nfs/dbraw/zinc/94/99/12/651949912.db2.gz GPJMVJYHNCKRQI-CZUORRHYSA-N 1 0 375.918 2.193 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)s1 ZINC000617466824 651952410 /nfs/dbraw/zinc/95/24/10/651952410.db2.gz QFPLAMDAKYYQCY-ZDUSSCGKSA-N 1 0 387.571 2.439 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC000617467885 651952424 /nfs/dbraw/zinc/95/24/24/651952424.db2.gz KKDOTLWBYSZUKC-BFHYXJOUSA-N 1 0 387.571 2.344 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000573401293 651953108 /nfs/dbraw/zinc/95/31/08/651953108.db2.gz LQPGYHXPIGCDPK-LLVKDONJSA-N 1 0 391.921 2.316 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000741584858 651953074 /nfs/dbraw/zinc/95/30/74/651953074.db2.gz KTQOGVCWFLBNRE-SWLSCSKDSA-N 1 0 392.301 2.442 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000617504775 651954710 /nfs/dbraw/zinc/95/47/10/651954710.db2.gz JYIGEJKGTNTKCG-NSHDSACASA-N 1 0 386.338 2.051 20 0 GEADRO C[NH2+][C@@H](C(=O)N1CCc2c(Br)ccc(F)c2C1)c1cnn(C)c1 ZINC000573441346 651956411 /nfs/dbraw/zinc/95/64/11/651956411.db2.gz KKHPNVPIEURQDC-OAHLLOKOSA-N 1 0 381.249 2.167 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC[N@@H+]1C ZINC000741726159 651956728 /nfs/dbraw/zinc/95/67/28/651956728.db2.gz TXNXSBUPGBHYHL-STQMWFEESA-N 1 0 385.917 2.092 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCC(F)(F)CC1 ZINC000653869781 651958242 /nfs/dbraw/zinc/95/82/42/651958242.db2.gz CQZOUEATHWPCLH-LLVKDONJSA-N 1 0 375.441 2.076 20 0 GEADRO CCN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@H]1CC[N@H+](C)C1 ZINC000617560104 651958273 /nfs/dbraw/zinc/95/82/73/651958273.db2.gz HGNBZJFIHXVFJL-ZDUSSCGKSA-N 1 0 383.286 2.315 20 0 GEADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Br)c[nH]1 ZINC000617698050 651963656 /nfs/dbraw/zinc/96/36/56/651963656.db2.gz MUQBUNZNEMIVNK-OAHLLOKOSA-N 1 0 378.270 2.274 20 0 GEADRO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654582487 651964529 /nfs/dbraw/zinc/96/45/29/651964529.db2.gz UBKXBNVONPBZJC-RWSFTLGLSA-N 1 0 398.276 2.036 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCOc3ccc(Br)cc32)n1 ZINC000654583690 651964586 /nfs/dbraw/zinc/96/45/86/651964586.db2.gz GOAWOONGZGVQIZ-AWEZNQCLSA-N 1 0 393.285 2.461 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)[C@H](OC)c2ccccc2Br)CC1 ZINC000654600284 651965384 /nfs/dbraw/zinc/96/53/84/651965384.db2.gz LUTZOXJKDGXNMS-MRXNPFEDSA-N 1 0 385.302 2.317 20 0 GEADRO COCC[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000573570888 651965602 /nfs/dbraw/zinc/96/56/02/651965602.db2.gz NSOMWCIRKNYNPG-PBHICJAKSA-N 1 0 377.312 2.354 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000573617203 651968948 /nfs/dbraw/zinc/96/89/48/651968948.db2.gz WRYKOIAMUFNESU-LLVKDONJSA-N 1 0 396.340 2.118 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000573684135 651973844 /nfs/dbraw/zinc/97/38/44/651973844.db2.gz FSGMGDHGSOJOSS-QWHCGFSZSA-N 1 0 384.318 2.428 20 0 GEADRO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000573742167 651977175 /nfs/dbraw/zinc/97/71/75/651977175.db2.gz WIRZFYMSDYHFQJ-SJLPKXTDSA-N 1 0 385.346 2.253 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000573751909 651977886 /nfs/dbraw/zinc/97/78/86/651977886.db2.gz NHOAJXVGQUNBNN-NSHDSACASA-N 1 0 376.507 2.253 20 0 GEADRO C[N@H+](Cc1ccc2nc(NC(=O)CS(=O)(=O)C3CC3)sc2c1)C1CC1 ZINC000617867699 651979250 /nfs/dbraw/zinc/97/92/50/651979250.db2.gz YNPVCEGLFRFALA-UHFFFAOYSA-N 1 0 379.507 2.406 20 0 GEADRO COc1ccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000573801492 651979328 /nfs/dbraw/zinc/97/93/28/651979328.db2.gz TVSQWWKAWVYBQW-GFCCVEGCSA-N 1 0 383.286 2.285 20 0 GEADRO CCN(C(=O)c1cc(Cn2cc(Br)cn2)on1)[C@H]1CC[N@H+](CC)C1 ZINC000617927154 651982073 /nfs/dbraw/zinc/98/20/73/651982073.db2.gz QYDWNLLRGYVKPB-ZDUSSCGKSA-N 1 0 396.289 2.238 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000573845249 651982895 /nfs/dbraw/zinc/98/28/95/651982895.db2.gz UPALWMOXQPJRFT-SFYZADRCSA-N 1 0 392.681 2.292 20 0 GEADRO O=Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000742544018 651992063 /nfs/dbraw/zinc/99/20/63/651992063.db2.gz MYWFGNGPHICTMS-HUUCEWRRSA-N 1 0 381.270 2.383 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)c1ncc(Br)cc1Br ZINC000618191725 651995362 /nfs/dbraw/zinc/99/53/62/651995362.db2.gz PTAPZCOTKFQTCF-UHFFFAOYSA-N 1 0 377.080 2.240 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)c(Br)c1 ZINC000574060870 651998130 /nfs/dbraw/zinc/99/81/30/651998130.db2.gz IFVMHIDDHKYUEN-HUUCEWRRSA-N 1 0 381.270 2.479 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCOC1CCCC1 ZINC000742718125 651998516 /nfs/dbraw/zinc/99/85/16/651998516.db2.gz KVURMXNALNMEOD-CYBMUJFWSA-N 1 0 375.922 2.253 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Br)c1 ZINC000618306718 652003595 /nfs/dbraw/zinc/00/35/95/652003595.db2.gz GNZRUIFBJGEXKM-UHFFFAOYSA-N 1 0 390.709 2.195 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=S)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000743017157 652008806 /nfs/dbraw/zinc/00/88/06/652008806.db2.gz CYJYVLOCLTXGDI-HNNXBMFYSA-N 1 0 375.460 2.468 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000655734303 652009030 /nfs/dbraw/zinc/00/90/30/652009030.db2.gz FGWTWWWTSBDGPP-GOSISDBHSA-N 1 0 392.345 2.279 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655831322 652012903 /nfs/dbraw/zinc/01/29/03/652012903.db2.gz HGQIDLTYBSGGID-FZMZJTMJSA-N 1 0 392.301 2.442 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1Cl ZINC000574277256 652013060 /nfs/dbraw/zinc/01/30/60/652013060.db2.gz NTEYZDKQWHYTST-WDEREUQCSA-N 1 0 397.324 2.390 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)n2)s1 ZINC000655957303 652015488 /nfs/dbraw/zinc/01/54/88/652015488.db2.gz URPFRMOXIXVALY-VIFPVBQESA-N 1 0 378.401 2.124 20 0 GEADRO O=C(CCOC1C[NH2+]C1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000574315984 652015631 /nfs/dbraw/zinc/01/56/31/652015631.db2.gz BKRTZZAORUSCNR-UHFFFAOYSA-N 1 0 386.323 2.453 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)C(F)(F)F ZINC000655957509 652015685 /nfs/dbraw/zinc/01/56/85/652015685.db2.gz AOTJIDCEIJBICO-MRVPVSSYSA-N 1 0 388.571 2.047 20 0 GEADRO C[NH+](C)CCOc1ccc(CNC(=O)CCn2cc(Br)cn2)cc1 ZINC000618395648 652016147 /nfs/dbraw/zinc/01/61/47/652016147.db2.gz PHXVPVHMWBKHOQ-UHFFFAOYSA-N 1 0 395.301 2.293 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000574344046 652017039 /nfs/dbraw/zinc/01/70/39/652017039.db2.gz YPHXAUIVMNWBJP-UHFFFAOYSA-N 1 0 384.318 2.256 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574400327 652019024 /nfs/dbraw/zinc/01/90/24/652019024.db2.gz OHWVBIKUFYXUOD-MRXNPFEDSA-N 1 0 375.897 2.231 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(CN2c3cccc(Br)c3C(=O)C2=O)C1 ZINC000743399933 652019086 /nfs/dbraw/zinc/01/90/86/652019086.db2.gz PJYJBFOUGJDVTR-GFCCVEGCSA-N 1 0 380.286 2.210 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000656030544 652019587 /nfs/dbraw/zinc/01/95/87/652019587.db2.gz VKUFLRLXBAIQSA-QWHCGFSZSA-N 1 0 386.323 2.486 20 0 GEADRO CC1=CCN(CCNC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000574406817 652019472 /nfs/dbraw/zinc/01/94/72/652019472.db2.gz VUFWSWFAILVFQY-ZFWWWQNUSA-N 1 0 383.539 2.306 20 0 GEADRO CCCN(C(=O)C(=O)NCc1cccc(Br)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000656085796 652021308 /nfs/dbraw/zinc/02/13/08/652021308.db2.gz NQOCZWXGPQVKMW-OAHLLOKOSA-N 1 0 396.329 2.316 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000618539721 652022057 /nfs/dbraw/zinc/02/20/57/652022057.db2.gz OFAMXZJYTJXZEN-KBPBESRZSA-N 1 0 387.571 2.488 20 0 GEADRO [NH3+]C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)C(F)(F)F ZINC000656194961 652025671 /nfs/dbraw/zinc/02/56/71/652025671.db2.gz RGMJPDRUGGUDTB-CYBMUJFWSA-N 1 0 382.224 2.265 20 0 GEADRO O=c1cc(C[N@H+]2CCCC[C@H]2C2(O)CC2)nc2ccc(Br)cn12 ZINC000574498454 652025662 /nfs/dbraw/zinc/02/56/62/652025662.db2.gz GJBDJJRIOPQZGI-AWEZNQCLSA-N 1 0 378.270 2.336 20 0 GEADRO CCC[NH+]1CCC(NCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000743759894 652026901 /nfs/dbraw/zinc/02/69/01/652026901.db2.gz VYOKFTAWTUQODN-HNNXBMFYSA-N 1 0 388.965 2.169 20 0 GEADRO C[S@@](=O)C1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCC1 ZINC000574567021 652030439 /nfs/dbraw/zinc/03/04/39/652030439.db2.gz XKKXVGXPHZUUBD-HXUWFJFHSA-N 1 0 394.356 2.114 20 0 GEADRO CSc1ncc(Cl)c(C(=O)NCc2ccncc2OCC[NH+](C)C)n1 ZINC000574682534 652035812 /nfs/dbraw/zinc/03/58/12/652035812.db2.gz PSZARCNNGDILIY-UHFFFAOYSA-N 1 0 381.889 2.117 20 0 GEADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000618901675 652037377 /nfs/dbraw/zinc/03/73/77/652037377.db2.gz FNTBUJIHMOBDGN-HUUCEWRRSA-N 1 0 385.917 2.040 20 0 GEADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000618901676 652037455 /nfs/dbraw/zinc/03/74/55/652037455.db2.gz FNTBUJIHMOBDGN-LSDHHAIUSA-N 1 0 385.917 2.040 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)cc1Cl ZINC000574823833 652045271 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20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc3c(c(Br)c2)OCO3)cn1 ZINC000622403780 652195100 /nfs/dbraw/zinc/19/51/00/652195100.db2.gz SPOBTXALQHYZJU-UHFFFAOYSA-N 1 0 381.230 2.188 20 0 GEADRO Cc1cnc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)nc1 ZINC000577621760 652202506 /nfs/dbraw/zinc/20/25/06/652202506.db2.gz BEEVOUXKYBVAPF-CQSZACIVSA-N 1 0 384.249 2.259 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000577623580 652202708 /nfs/dbraw/zinc/20/27/08/652202708.db2.gz UEJVKOGPUYBCPK-BBRMVZONSA-N 1 0 375.282 2.274 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(Br)c3F)[C@@H]2C1 ZINC000657777914 652204878 /nfs/dbraw/zinc/20/48/78/652204878.db2.gz FIEWEHNGAWQWEI-ZWNOBZJWSA-N 1 0 384.249 2.079 20 0 GEADRO COCCCNC(=O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000577717976 652209811 /nfs/dbraw/zinc/20/98/11/652209811.db2.gz AZWHXZFWDBTHDU-UHFFFAOYSA-N 1 0 385.302 2.197 20 0 GEADRO O=S(=O)(Cc1ccccc1C[NH2+][C@H]1CCCSCC1)N1CCOCC1 ZINC000657835961 652209666 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GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000657966087 652222595 /nfs/dbraw/zinc/22/25/95/652222595.db2.gz JZRPTSDMKKCLHA-QGZVFWFLSA-N 1 0 398.276 2.389 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)Cn3cncn3)C2=O)ccc1Br ZINC000657980979 652224868 /nfs/dbraw/zinc/22/48/68/652224868.db2.gz UJNPRQZUPKJBGK-IUODEOHRSA-N 1 0 378.274 2.133 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000577883700 652226407 /nfs/dbraw/zinc/22/64/07/652226407.db2.gz KONNOFSGYRGOSF-BXUZGUMPSA-N 1 0 399.251 2.404 20 0 GEADRO COC[C@H](CC1CCOCC1)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000657997989 652228244 /nfs/dbraw/zinc/22/82/44/652228244.db2.gz HXBNEFYBDGTGGM-JKSUJKDBSA-N 1 0 385.302 2.397 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000749027152 652230516 /nfs/dbraw/zinc/23/05/16/652230516.db2.gz TVMVZLLEJGKKCS-UHFFFAOYSA-N 1 0 380.290 2.442 20 0 GEADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000658029108 652232999 /nfs/dbraw/zinc/23/29/99/652232999.db2.gz ZMBJVMVNMJTPSW-HZPDHXFCSA-N 1 0 390.343 2.155 20 0 GEADRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658060880 652234991 /nfs/dbraw/zinc/23/49/91/652234991.db2.gz YGBBEOGCENCOEX-ONGXEEELSA-N 1 0 377.304 2.315 20 0 GEADRO CN(CC(=O)Nc1ccc2c(c1)C[NH2+]CC2)S(=O)(=O)c1ccc(Cl)s1 ZINC000578005647 652235140 /nfs/dbraw/zinc/23/51/40/652235140.db2.gz CMZGVHSCGAGKAI-UHFFFAOYSA-N 1 0 399.925 2.306 20 0 GEADRO Cc1ncc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c(C)n1 ZINC000658092354 652235728 /nfs/dbraw/zinc/23/57/28/652235728.db2.gz MSHNPOJSIUNZHR-SNVBAGLBSA-N 1 0 378.274 2.332 20 0 GEADRO COC[C@H](CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)OC ZINC000658084412 652235801 /nfs/dbraw/zinc/23/58/01/652235801.db2.gz YPWPWVBIZARIKW-UWVGGRQHSA-N 1 0 385.313 2.343 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1ccsc1C(F)(F)F)NC[C@@H]1CCCCO1 ZINC000623413729 652236020 /nfs/dbraw/zinc/23/60/20/652236020.db2.gz FRAKNSZKHCXWGU-LBPRGKRZSA-N 1 0 386.461 2.345 20 0 GEADRO OCCO[C@@]1(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCOC1 ZINC000658149347 652239912 /nfs/dbraw/zinc/23/99/12/652239912.db2.gz SKHNYFSJXWGDFM-DOTOQJQBSA-N 1 0 386.286 2.420 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C1(S(C)(=O)=O)CC1 ZINC000578065232 652240675 /nfs/dbraw/zinc/24/06/75/652240675.db2.gz RQDPANNCLCJOQB-ZYHUDNBSSA-N 1 0 382.309 2.288 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658262723 652248308 /nfs/dbraw/zinc/24/83/08/652248308.db2.gz FGRVJGKKUMQRIE-LBPRGKRZSA-N 1 0 398.301 2.385 20 0 GEADRO COCCn1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623644916 652251317 /nfs/dbraw/zinc/25/13/17/652251317.db2.gz GKULFYOWUACBAF-GOSISDBHSA-N 1 0 394.313 2.302 20 0 GEADRO Fc1c(Br)cccc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623651372 652251992 /nfs/dbraw/zinc/25/19/92/652251992.db2.gz KLYMRWCUDIZRAY-GFCCVEGCSA-N 1 0 391.248 2.394 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000658320244 652253678 /nfs/dbraw/zinc/25/36/78/652253678.db2.gz HOJNHNBGRRZWMY-MRXNPFEDSA-N 1 0 396.329 2.397 20 0 GEADRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000578224042 652254624 /nfs/dbraw/zinc/25/46/24/652254624.db2.gz NWVCNIMCFFMKEZ-IAQYHMDHSA-N 1 0 377.286 2.245 20 0 GEADRO CC(C)OC[C@@H](O)C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000578237198 652256166 /nfs/dbraw/zinc/25/61/66/652256166.db2.gz CXZWQCYPWWLDKE-WFASDCNBSA-N 1 0 378.282 2.115 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1COCCN1C ZINC000623714208 652256239 /nfs/dbraw/zinc/25/62/39/652256239.db2.gz UXTHJONMPPLXST-KRWDZBQOSA-N 1 0 379.302 2.363 20 0 GEADRO CCN(C(=O)C(=O)Nc1c(C)ccc(F)c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000658362008 652256216 /nfs/dbraw/zinc/25/62/16/652256216.db2.gz QQMDERHFHVLONH-LLVKDONJSA-N 1 0 386.265 2.388 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C)c1F)[C@H]1CC[N@H+](C)C1 ZINC000658363094 652257384 /nfs/dbraw/zinc/25/73/84/652257384.db2.gz ZACCTQREIWXKGP-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000658369122 652258098 /nfs/dbraw/zinc/25/80/98/652258098.db2.gz UOGOEXAKNGFGAD-BXKDBHETSA-N 1 0 395.294 2.345 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000658369611 652258707 /nfs/dbraw/zinc/25/87/07/652258707.db2.gz YIOKUBJYFIHIKF-GFCCVEGCSA-N 1 0 379.320 2.500 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCOC[C@H]2O)cc(Br)c1OC(F)F ZINC000623765181 652259245 /nfs/dbraw/zinc/25/92/45/652259245.db2.gz OVYZXYOLALTQBR-GHMZBOCLSA-N 1 0 382.201 2.299 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000749657417 652260568 /nfs/dbraw/zinc/26/05/68/652260568.db2.gz PSYFPPZAEXTREY-GFCCVEGCSA-N 1 0 398.301 2.305 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000578321946 652262425 /nfs/dbraw/zinc/26/24/25/652262425.db2.gz BRNXKYWZOTWHSH-NSHDSACASA-N 1 0 397.324 2.297 20 0 GEADRO C[C@H](C[NH2+]C[C@@H](O)COC1CCOCC1)Oc1ccccc1Br ZINC000578350195 652264932 /nfs/dbraw/zinc/26/49/32/652264932.db2.gz HRGDOWSFOXHZAF-ZIAGYGMSSA-N 1 0 388.302 2.363 20 0 GEADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000623896878 652266423 /nfs/dbraw/zinc/26/64/23/652266423.db2.gz BEEYBZYODWRKNV-GFCCVEGCSA-N 1 0 376.316 2.348 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1Cl ZINC000658404117 652266643 /nfs/dbraw/zinc/26/66/43/652266643.db2.gz OSOKAEFPNMXPHG-UHFFFAOYSA-N 1 0 395.706 2.141 20 0 GEADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000658410479 652267167 /nfs/dbraw/zinc/26/71/67/652267167.db2.gz KGNZSXNXWDAERP-VIFPVBQESA-N 1 0 390.328 2.459 20 0 GEADRO COc1cc(C(=O)NCCCC[NH+]2CCN(C)CC2)ccc1Br ZINC000624051357 652267620 /nfs/dbraw/zinc/26/76/20/652267620.db2.gz ATNJWXQJVXRJIJ-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000658412518 652267968 /nfs/dbraw/zinc/26/79/68/652267968.db2.gz XZYMUZDLKPAZKQ-GXTWGEPZSA-N 1 0 376.906 2.174 20 0 GEADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000658411818 652268214 /nfs/dbraw/zinc/26/82/14/652268214.db2.gz RYKVNDNXXJRGKQ-SSDOTTSWSA-N 1 0 375.210 2.354 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000624094770 652270062 /nfs/dbraw/zinc/27/00/62/652270062.db2.gz NCFIZTSTUSBWMO-UKRRQHHQSA-N 1 0 375.485 2.317 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[NH+](C)C ZINC000658427164 652270196 /nfs/dbraw/zinc/27/01/96/652270196.db2.gz NVOOEHXPLJPTCX-MRVPVSSYSA-N 1 0 378.217 2.122 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1)C1CCS(=O)(=O)CC1 ZINC000624118387 652271468 /nfs/dbraw/zinc/27/14/68/652271468.db2.gz GVZYFYCCMCXNMV-KBXCAEBGSA-N 1 0 386.945 2.348 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000624118261 652271566 /nfs/dbraw/zinc/27/15/66/652271566.db2.gz CVQAAAJZUQXGSZ-KZNAEPCWSA-N 1 0 386.945 2.491 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)cn1 ZINC000624117468 652271645 /nfs/dbraw/zinc/27/16/45/652271645.db2.gz PJBRRRDWSAGALA-WCQYABFASA-N 1 0 388.273 2.211 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)c(F)cc1Br ZINC000749919052 652273078 /nfs/dbraw/zinc/27/30/78/652273078.db2.gz IVCGWJOKYDRTOW-NXEZZACHSA-N 1 0 375.213 2.320 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cncc(Br)c1 ZINC000624138192 652273066 /nfs/dbraw/zinc/27/30/66/652273066.db2.gz DZTDANHCNILXHQ-ZLKJLUDKSA-N 1 0 376.320 2.355 20 0 GEADRO Cc1nnc([C@@H]2CCCN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)C2)[nH]1 ZINC000578440981 652273284 /nfs/dbraw/zinc/27/32/84/652273284.db2.gz WYFJRAITQFNGAT-PXAZEXFGSA-N 1 0 392.301 2.456 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]Cc2cc(F)c(Br)cc2F)CC1 ZINC000624160286 652274790 /nfs/dbraw/zinc/27/47/90/652274790.db2.gz MOKRGZHXQOJWCJ-UHFFFAOYSA-N 1 0 383.258 2.241 20 0 GEADRO O=c1oc2ccc(Br)cc2n1CN1CC[NH+](C2CCOCC2)CC1 ZINC000749956535 652274973 /nfs/dbraw/zinc/27/49/73/652274973.db2.gz AJEMMYIGVQUCRO-UHFFFAOYSA-N 1 0 396.285 2.111 20 0 GEADRO O=c1scc(C(F)(F)F)n1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000749961276 652275747 /nfs/dbraw/zinc/27/57/47/652275747.db2.gz ZWOOERWIDLDFDM-UHFFFAOYSA-N 1 0 379.448 2.463 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(OC)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658467160 652276779 /nfs/dbraw/zinc/27/67/79/652276779.db2.gz BSOYXJQSEPNJCH-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO CCN(C(=O)C(=O)Nc1ccc(OC)cc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000658468646 652277410 /nfs/dbraw/zinc/27/74/10/652277410.db2.gz XKNSPQFYIQQLTR-LBPRGKRZSA-N 1 0 398.301 2.339 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)c(Cl)c1 ZINC000578550120 652277617 /nfs/dbraw/zinc/27/76/17/652277617.db2.gz PVKFPXMPELKPBI-AWEZNQCLSA-N 1 0 375.922 2.099 20 0 GEADRO OCCCC[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000750052476 652280481 /nfs/dbraw/zinc/28/04/81/652280481.db2.gz BRWJOPWGRMXCRM-UHFFFAOYSA-N 1 0 395.301 2.389 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[NH+](CCCCO)CC1 ZINC000750054899 652280664 /nfs/dbraw/zinc/28/06/64/652280664.db2.gz NXRZRCMYOMJUPU-AWEZNQCLSA-N 1 0 384.318 2.166 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3Br)C[C@@H]12 ZINC000578606672 652282037 /nfs/dbraw/zinc/28/20/37/652282037.db2.gz FOQDUPGLMHIUPD-IQJOONFLSA-N 1 0 386.677 2.237 20 0 GEADRO O[C@@H]1CC[N@@H+](C2CN(c3nccc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000624352228 652282363 /nfs/dbraw/zinc/28/23/63/652282363.db2.gz NJPSXOXJSIEHRL-OAHLLOKOSA-N 1 0 375.270 2.161 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1cccc(Sc2ccccc2)c1 ZINC000624369816 652283746 /nfs/dbraw/zinc/28/37/46/652283746.db2.gz RGFSPBNVRIJDMH-OAHLLOKOSA-N 1 0 378.519 2.495 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000624366313 652283914 /nfs/dbraw/zinc/28/39/14/652283914.db2.gz VUTVBWHGGZJDET-GWCFXTLKSA-N 1 0 377.279 2.269 20 0 GEADRO CCN(CC[NH3+])S(=O)(=O)c1scc(Br)c1Br ZINC000624381800 652285644 /nfs/dbraw/zinc/28/56/44/652285644.db2.gz CBPNZVVBTVGASF-UHFFFAOYSA-N 1 0 392.138 2.242 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)c1Br ZINC000658542345 652285680 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CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000624394079 652289640 /nfs/dbraw/zinc/28/96/40/652289640.db2.gz UENYLNIKYVDWJG-UONOGXRCSA-N 1 0 376.906 2.174 20 0 GEADRO OCCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000578748980 652290577 /nfs/dbraw/zinc/29/05/77/652290577.db2.gz KQVHGZQHPQSBFN-ZIAGYGMSSA-N 1 0 377.312 2.170 20 0 GEADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C[NH2+]1 ZINC000624405213 652290973 /nfs/dbraw/zinc/29/09/73/652290973.db2.gz GACDAMJODQRLSX-NFAWXSAZSA-N 1 0 388.917 2.174 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000624403902 652291141 /nfs/dbraw/zinc/29/11/41/652291141.db2.gz BHBDRIMCDSUHMU-IUCAKERBSA-N 1 0 381.267 2.016 20 0 GEADRO [NH3+]CCCOCCNS(=O)(=O)c1ccc2ccccc2c1Br ZINC000624408800 652291904 /nfs/dbraw/zinc/29/19/04/652291904.db2.gz FXFBFQKKPGOXRF-UHFFFAOYSA-N 1 0 387.299 2.246 20 0 GEADRO [NH3+]CCCOCCNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000624407923 652291939 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20 0 GEADRO O=C(Nc1cncc(Br)c1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658649133 652298794 /nfs/dbraw/zinc/29/87/94/652298794.db2.gz JMRUJDFCUATEFA-CYBMUJFWSA-N 1 0 395.301 2.306 20 0 GEADRO CCC1([NH+]2CCOCC2)CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000624702384 652298751 /nfs/dbraw/zinc/29/87/51/652298751.db2.gz DRINRHZTZJABEW-UHFFFAOYSA-N 1 0 397.317 2.024 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)COCc2cccs2)cc1 ZINC000578860824 652299714 /nfs/dbraw/zinc/29/97/14/652299714.db2.gz OGFFOXALVIXGTR-JKSUJKDBSA-N 1 0 383.535 2.386 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000578864474 652300281 /nfs/dbraw/zinc/30/02/81/652300281.db2.gz HSZVYNYDQGVISN-DGCLKSJQSA-N 1 0 384.933 2.418 20 0 GEADRO CNc1cnc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000624761789 652301811 /nfs/dbraw/zinc/30/18/11/652301811.db2.gz DIOHDAAUCSQKPG-UHFFFAOYSA-N 1 0 392.301 2.485 20 0 GEADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccnc2OCC(F)F)CC1 ZINC000624937716 652311456 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COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C)c(F)c2F)CC1 ZINC000624959878 652314028 /nfs/dbraw/zinc/31/40/28/652314028.db2.gz CDKDPMUTUBKTJD-UHFFFAOYSA-N 1 0 376.469 2.441 20 0 GEADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000658800929 652314818 /nfs/dbraw/zinc/31/48/18/652314818.db2.gz CNTTTZIDEIWXIP-INIZCTEOSA-N 1 0 396.329 2.269 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2cc3sccc3s2)(N2CCOCC2)CC1 ZINC000579085388 652315917 /nfs/dbraw/zinc/31/59/17/652315917.db2.gz BULNEZAFZOPIDY-UHFFFAOYSA-N 1 0 379.551 2.489 20 0 GEADRO CCN(C(=O)C(=O)N(C)Cc1ccccc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000658830821 652318494 /nfs/dbraw/zinc/31/84/94/652318494.db2.gz VIJKNIVAPRJKBP-OAHLLOKOSA-N 1 0 396.329 2.350 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c(F)c1F ZINC000625047589 652320044 /nfs/dbraw/zinc/32/00/44/652320044.db2.gz TZTXANZGIOQSBW-UHFFFAOYSA-N 1 0 376.469 2.395 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cccc2c(Br)ccnc12 ZINC000579212933 652325408 /nfs/dbraw/zinc/32/54/08/652325408.db2.gz XFNAHDGSFHHSSL-NSHDSACASA-N 1 0 378.274 2.022 20 0 GEADRO O=C(CCc1nc2cc(Cl)ccc2s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579227154 652326819 /nfs/dbraw/zinc/32/68/19/652326819.db2.gz PYVHSKUZFQVENX-CQSZACIVSA-N 1 0 378.929 2.388 20 0 GEADRO O=C(CC[NH+]1CCC(N2CN=NC2=O)CC1)Nc1ccccc1Br ZINC000579245703 652328552 /nfs/dbraw/zinc/32/85/52/652328552.db2.gz VUGGGYKSCDWHLN-UHFFFAOYSA-N 1 0 394.273 2.412 20 0 GEADRO CC[C@H](CO)[NH+]1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625192509 652330253 /nfs/dbraw/zinc/33/02/53/652330253.db2.gz JDDBHHMLWIRUQR-NVXWUHKLSA-N 1 0 396.329 2.091 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000579355386 652333529 /nfs/dbraw/zinc/33/35/29/652333529.db2.gz JIDSOPLBDCJBOS-WBVHZDCISA-N 1 0 383.286 2.183 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C)C[NH2+]C)ccc1Cl ZINC000658978827 652335509 /nfs/dbraw/zinc/33/55/09/652335509.db2.gz AOFRKCDQHUFIPJ-NSHDSACASA-N 1 0 376.910 2.100 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1=O ZINC000659000825 652336857 /nfs/dbraw/zinc/33/68/57/652336857.db2.gz XDHNFJNFDOJAFI-CYBMUJFWSA-N 1 0 397.317 2.391 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000659025019 652337223 /nfs/dbraw/zinc/33/72/23/652337223.db2.gz MJCNIXLQYXKHHO-NEPJUHHUSA-N 1 0 396.207 2.422 20 0 GEADRO O=C(NCc1n[nH]cc1Br)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659035543 652337826 /nfs/dbraw/zinc/33/78/26/652337826.db2.gz XZZRWVCZABLTAJ-CQSZACIVSA-N 1 0 380.246 2.155 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCOc2cc(Br)ccc2C1)C(F)(F)F ZINC000659026198 652338014 /nfs/dbraw/zinc/33/80/14/652338014.db2.gz ZHPJZLPXOCMATB-LLVKDONJSA-N 1 0 382.180 2.243 20 0 GEADRO CN(C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000659073519 652340100 /nfs/dbraw/zinc/34/01/00/652340100.db2.gz AVRHPKNTFPFMMB-UHFFFAOYSA-N 1 0 394.313 2.284 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659077402 652340468 /nfs/dbraw/zinc/34/04/68/652340468.db2.gz LAMLWQFNYZXODW-CYBMUJFWSA-N 1 0 382.302 2.173 20 0 GEADRO CN1C(=O)C[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000579479431 652340791 /nfs/dbraw/zinc/34/07/91/652340791.db2.gz QHIORVVWEFOILH-BHYNMZESSA-N 1 0 377.794 2.097 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659082324 652341035 /nfs/dbraw/zinc/34/10/35/652341035.db2.gz LTIBWLWFCXMKIC-FZMZJTMJSA-N 1 0 394.313 2.188 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000659083160 652341620 /nfs/dbraw/zinc/34/16/20/652341620.db2.gz VTKHVUZJBPMVLK-OQPBUACISA-N 1 0 388.693 2.464 20 0 GEADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000659085500 652342068 /nfs/dbraw/zinc/34/20/68/652342068.db2.gz KIMBSKTWUAITPV-BXKDBHETSA-N 1 0 388.693 2.464 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000659099664 652343502 /nfs/dbraw/zinc/34/35/02/652343502.db2.gz AHUHGBBWNZASET-UHFFFAOYSA-N 1 0 390.640 2.130 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c3cccnc23)CCCC1 ZINC000659097914 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GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2csc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000625529332 652352560 /nfs/dbraw/zinc/35/25/60/652352560.db2.gz VMAGAUMLIHCKDX-CMPLNLGQSA-N 1 0 377.432 2.324 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)C1CCCCC1 ZINC000659298205 652352910 /nfs/dbraw/zinc/35/29/10/652352910.db2.gz XPEILXMMDMQOKN-CQSZACIVSA-N 1 0 393.289 2.062 20 0 GEADRO CC1CC[NH+](C[C@H](O)CNCc2cn3ccc(Br)cc3n2)CC1 ZINC000579768318 652353308 /nfs/dbraw/zinc/35/33/08/652353308.db2.gz GOPWJVHGMPTNNX-MRXNPFEDSA-N 1 0 381.318 2.279 20 0 GEADRO COC[C@@]1(CNC(=O)CCc2ccc(OC)cc2Br)CCC[NH2+]1 ZINC000659308473 652353363 /nfs/dbraw/zinc/35/33/63/652353363.db2.gz UCHQCKGICJHQDS-KRWDZBQOSA-N 1 0 385.302 2.275 20 0 GEADRO C[C@@H]1CN(Cc2c(Br)cncc2Br)CC[N@@H+]1CCO ZINC000579774535 652353774 /nfs/dbraw/zinc/35/37/74/652353774.db2.gz XDIZIMGHLDARGB-SNVBAGLBSA-N 1 0 393.123 2.105 20 0 GEADRO [NH3+]CCn1cc(C(=O)N2CCC(c3ccccc3Br)CC2)nn1 ZINC000659318036 652354023 /nfs/dbraw/zinc/35/40/23/652354023.db2.gz YALUEPTWILKWAA-UHFFFAOYSA-N 1 0 378.274 2.019 20 0 GEADRO C[C@H]1CN(Cc2c(Br)cncc2Br)CC[N@@H+]1CCO ZINC000579774533 652353909 /nfs/dbraw/zinc/35/39/09/652353909.db2.gz XDIZIMGHLDARGB-JTQLQIEISA-N 1 0 393.123 2.105 20 0 GEADRO [NH3+]CCn1cc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)nn1 ZINC000659316498 652354127 /nfs/dbraw/zinc/35/41/27/652354127.db2.gz NKLJMKYGZQKXTO-UHFFFAOYSA-N 1 0 378.274 2.019 20 0 GEADRO Cc1ccc(NC(=O)CN2CCC([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000625550647 652354797 /nfs/dbraw/zinc/35/47/97/652354797.db2.gz XVFFHHQFAWCKMU-UHFFFAOYSA-N 1 0 396.329 2.493 20 0 GEADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659359330 652354890 /nfs/dbraw/zinc/35/48/90/652354890.db2.gz ZSBRCIOSAABATB-WMZOPIPTSA-N 1 0 378.314 2.487 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659359996 652354906 /nfs/dbraw/zinc/35/49/06/652354906.db2.gz YEEUVRYUEABOHH-HOTGVXAUSA-N 1 0 383.286 2.118 20 0 GEADRO Brc1ccc2nc(CN3CCC([NH+]4CCOCC4)CC3)cn2c1 ZINC000625553447 652355184 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GEADRO O=C(NCc1n[nH]cc1Br)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659458925 652358857 /nfs/dbraw/zinc/35/88/57/652358857.db2.gz VSRGYIHYYVKDPP-JSGCOSHPSA-N 1 0 396.264 2.256 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])C2=O)ccc1Br ZINC000659481912 652359176 /nfs/dbraw/zinc/35/91/76/652359176.db2.gz KSIRWKWUHKBYPG-CQSZACIVSA-N 1 0 397.317 2.242 20 0 GEADRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000579887628 652359310 /nfs/dbraw/zinc/35/93/10/652359310.db2.gz LYIFARAPJLGKOE-UHFFFAOYSA-N 1 0 387.571 2.384 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000659486300 652359487 /nfs/dbraw/zinc/35/94/87/652359487.db2.gz CZHFFJBZPFAOEN-UHFFFAOYSA-N 1 0 390.285 2.268 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000579942488 652360130 /nfs/dbraw/zinc/36/01/30/652360130.db2.gz DJFNBZPJGUGXOE-OAHLLOKOSA-N 1 0 391.331 2.264 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659538692 652360272 /nfs/dbraw/zinc/36/02/72/652360272.db2.gz WPWQKYXFFJZBDF-CZUORRHYSA-N 1 0 381.318 2.279 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCCc2c(Cl)cccc2Cl)n1 ZINC000659561463 652360640 /nfs/dbraw/zinc/36/06/40/652360640.db2.gz LPDPXKSFEFCCPK-UHFFFAOYSA-N 1 0 384.267 2.380 20 0 GEADRO Cc1cc(Br)c(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000659602811 652361018 /nfs/dbraw/zinc/36/10/18/652361018.db2.gz KKIQXKPSQOBZDO-LBPRGKRZSA-N 1 0 387.347 2.008 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000659697106 652363688 /nfs/dbraw/zinc/36/36/88/652363688.db2.gz KLOWIDQLTOBGKU-OAHLLOKOSA-N 1 0 396.329 2.087 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCc2cc(Cl)ccc2Br)CCCC1 ZINC000659730806 652364556 /nfs/dbraw/zinc/36/45/56/652364556.db2.gz ZHQKCFGUWXXQJB-UHFFFAOYSA-N 1 0 388.693 2.106 20 0 GEADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C[C@@H]1CSCCS1 ZINC000751718261 652364975 /nfs/dbraw/zinc/36/49/75/652364975.db2.gz HYHPVTJLVXHGAZ-JKSUJKDBSA-N 1 0 388.599 2.491 20 0 GEADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000580065018 652365553 /nfs/dbraw/zinc/36/55/53/652365553.db2.gz GHICLHFVHNGJHE-DGCLKSJQSA-N 1 0 380.794 2.141 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1nccs1 ZINC000580181104 652368930 /nfs/dbraw/zinc/36/89/30/652368930.db2.gz QLDCZEVEVNPOTA-SMDDNHRTSA-N 1 0 380.901 2.393 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN[C@H](C)c1cc(F)c(Br)cc1F ZINC000625751225 652369306 /nfs/dbraw/zinc/36/93/06/652369306.db2.gz RQTAMWRVHJEVSQ-GHMZBOCLSA-N 1 0 381.261 2.317 20 0 GEADRO COCCOCC[N@H+](CCO)Cc1cc(Br)cc2cccnc21 ZINC000625755123 652369426 /nfs/dbraw/zinc/36/94/26/652369426.db2.gz APPUVKGRZBOJDI-UHFFFAOYSA-N 1 0 383.286 2.455 20 0 GEADRO O=c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)occ1O ZINC000625795448 652371198 /nfs/dbraw/zinc/37/11/98/652371198.db2.gz WDDQAGNBWGADGM-QGZVFWFLSA-N 1 0 380.238 2.118 20 0 GEADRO CCCn1ncnc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796065 652371634 /nfs/dbraw/zinc/37/16/34/652371634.db2.gz DQNHNHRWFHYSON-QGZVFWFLSA-N 1 0 379.302 2.460 20 0 GEADRO NC(=O)c1cn(C2CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)nn1 ZINC000625803645 652372363 /nfs/dbraw/zinc/37/23/63/652372363.db2.gz NMMCCCLYQUIBBP-UHFFFAOYSA-N 1 0 384.267 2.400 20 0 GEADRO [NH3+]CC1(NC(=O)Nc2nnc(SCc3ccccc3)s2)CCOCC1 ZINC000625836395 652373202 /nfs/dbraw/zinc/37/32/02/652373202.db2.gz FGMVFXWQVCQDTF-UHFFFAOYSA-N 1 0 379.511 2.460 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000625880913 652374434 /nfs/dbraw/zinc/37/44/34/652374434.db2.gz VAUAWRSLKJIPIW-UHFFFAOYSA-N 1 0 390.278 2.166 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000580298210 652374773 /nfs/dbraw/zinc/37/47/73/652374773.db2.gz DEHCIMMWWHXTDW-UHFFFAOYSA-N 1 0 398.276 2.437 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000659966457 652374848 /nfs/dbraw/zinc/37/48/48/652374848.db2.gz JYCJIZRGHNCAEB-SFHVURJKSA-N 1 0 376.563 2.098 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C[C@H](O)c3ccccc3Br)CC2)C1 ZINC000752018761 652376450 /nfs/dbraw/zinc/37/64/50/652376450.db2.gz SIZHAYICDMPFAS-YJBOKZPZSA-N 1 0 382.346 2.194 20 0 GEADRO C[C@@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ncc(Br)cn1 ZINC000580413278 652379662 /nfs/dbraw/zinc/37/96/62/652379662.db2.gz BWUMGJIWECTPNH-IAQYHMDHSA-N 1 0 390.285 2.486 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ncc(Br)cn1 ZINC000580413279 652379766 /nfs/dbraw/zinc/37/97/66/652379766.db2.gz BWUMGJIWECTPNH-NHYWBVRUSA-N 1 0 390.285 2.486 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000580429243 652380474 /nfs/dbraw/zinc/38/04/74/652380474.db2.gz ZZGWAFOQEKINBL-RYUDHWBXSA-N 1 0 395.305 2.297 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000580429784 652380486 /nfs/dbraw/zinc/38/04/86/652380486.db2.gz AOCOZOXCVAVRFO-JTQLQIEISA-N 1 0 382.258 2.042 20 0 GEADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037821 652380557 /nfs/dbraw/zinc/38/05/57/652380557.db2.gz FTEBFCKAHXFMLD-WCQGTBRESA-N 1 0 391.693 2.038 20 0 GEADRO [NH3+]C[C@H]1CN(Cc2ccc(I)cc2)CC12CCOCC2 ZINC000580431981 652380863 /nfs/dbraw/zinc/38/08/63/652380863.db2.gz GCRGFXCHNJCCOL-AWEZNQCLSA-N 1 0 386.277 2.479 20 0 GEADRO Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000580549005 652382946 /nfs/dbraw/zinc/38/29/46/652382946.db2.gz VSNRNEHFXKGIFD-CXAGYDPISA-N 1 0 393.281 2.313 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)c(F)c1F ZINC000626200480 652385074 /nfs/dbraw/zinc/38/50/74/652385074.db2.gz NNWQPMFFBNGWBA-JTQLQIEISA-N 1 0 377.229 2.304 20 0 GEADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580639941 652386330 /nfs/dbraw/zinc/38/63/30/652386330.db2.gz WFMFMRQDOUBPOG-UTUOFQBUSA-N 1 0 382.291 2.117 20 0 GEADRO Cc1cccc2cc(S(=O)(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)sc21 ZINC000660096363 652386527 /nfs/dbraw/zinc/38/65/27/652386527.db2.gz SHLLIWNMEHNEJH-MRXNPFEDSA-N 1 0 380.535 2.429 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000580704186 652389183 /nfs/dbraw/zinc/38/91/83/652389183.db2.gz DCYKJVYVQQIRHR-JHJVBQTASA-N 1 0 386.265 2.122 20 0 GEADRO COc1ncc(Br)cc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000660153429 652390945 /nfs/dbraw/zinc/39/09/45/652390945.db2.gz GGHHHMXHHPCAJH-RHSMWYFYSA-N 1 0 397.361 2.311 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)CCO1 ZINC000660155794 652390986 /nfs/dbraw/zinc/39/09/86/652390986.db2.gz MJJQWGHREVJTND-HNNXBMFYSA-N 1 0 378.897 2.352 20 0 GEADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C2CCC(S(C)(=O)=O)CC2)c1 ZINC000580769436 652391855 /nfs/dbraw/zinc/39/18/55/652391855.db2.gz PZDVDGMOHRBNQZ-SHARSMKWSA-N 1 0 375.918 2.334 20 0 GEADRO CCSc1ccc(CC(=O)NC[C@]2(O)CC[N@H+](C)C2)c(Br)c1 ZINC000626460976 652393258 /nfs/dbraw/zinc/39/32/58/652393258.db2.gz JLCYPXHXSWHBGE-MRXNPFEDSA-N 1 0 387.343 2.286 20 0 GEADRO CC(C)[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)CC[NH2+]1 ZINC000660184853 652393814 /nfs/dbraw/zinc/39/38/14/652393814.db2.gz NVYSILQGNSCJRQ-AWEZNQCLSA-N 1 0 379.295 2.348 20 0 GEADRO 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CCCCN(C(=O)C[NH2+][C@@H](C)C1CCC(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000662002996 652444557 /nfs/dbraw/zinc/44/45/57/652444557.db2.gz MGGIBYNJNNOJJU-ZGRYLRDCSA-N 1 0 376.538 2.309 20 0 GEADRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000662011496 652445027 /nfs/dbraw/zinc/44/50/27/652445027.db2.gz LJEDKVYYUXMGRD-ZDUSSCGKSA-N 1 0 397.317 2.465 20 0 GEADRO O=C(CN[C@H](CO)c1cccc(Cl)c1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000662057264 652446628 /nfs/dbraw/zinc/44/66/28/652446628.db2.gz XGLYVMPMVADQBK-MRXNPFEDSA-N 1 0 386.323 2.359 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)C1 ZINC000662159086 652449598 /nfs/dbraw/zinc/44/95/98/652449598.db2.gz ZSWDYVXKHXCBBM-HNNXBMFYSA-N 1 0 397.313 2.251 20 0 GEADRO O=C([C@H]1COc2ccc(Br)cc21)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124543 652452182 /nfs/dbraw/zinc/45/21/82/652452182.db2.gz LFDLVZQRYASYMB-INIZCTEOSA-N 1 0 395.297 2.248 20 0 GEADRO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000628140302 652453180 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CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@@H](C[NH3+])CC(C)C)s1 ZINC000662363478 652457637 /nfs/dbraw/zinc/45/76/37/652457637.db2.gz NPUAGMRTXNWDPE-AWEZNQCLSA-N 1 0 389.587 2.406 20 0 GEADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N1CC[NH2+]CC1 ZINC000582654516 652457900 /nfs/dbraw/zinc/45/79/00/652457900.db2.gz WMEWYKZHGDRISK-UHFFFAOYSA-N 1 0 378.274 2.325 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000582664820 652458182 /nfs/dbraw/zinc/45/81/82/652458182.db2.gz MMQUIQLCQBGXHE-GFCCVEGCSA-N 1 0 378.274 2.374 20 0 GEADRO Cc1c2cc(C(=O)NCCCN3CC[NH2+]CC3)[nH]c2ccc1Br ZINC000662391457 652458718 /nfs/dbraw/zinc/45/87/18/652458718.db2.gz XSLPQJUCRONRNB-UHFFFAOYSA-N 1 0 379.302 2.264 20 0 GEADRO O=C(NC1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1)c1ccsc1 ZINC000662408025 652459373 /nfs/dbraw/zinc/45/93/73/652459373.db2.gz NBVMWFFGOQNJNP-UHFFFAOYSA-N 1 0 375.519 2.490 20 0 GEADRO O=C(NCCOc1ccc(Br)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662421258 652460123 /nfs/dbraw/zinc/46/01/23/652460123.db2.gz WLMQAGBYXILZPB-NSHDSACASA-N 1 0 379.258 2.058 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CCO1 ZINC000662430981 652460528 /nfs/dbraw/zinc/46/05/28/652460528.db2.gz FZCIQDLGNXFWFV-BONVTDFDSA-N 1 0 380.242 2.292 20 0 GEADRO O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc2c(s1)CC[NH2+]C2 ZINC000662458463 652462118 /nfs/dbraw/zinc/46/21/18/652462118.db2.gz MOHRYSBJVURBRY-UHFFFAOYSA-N 1 0 377.491 2.087 20 0 GEADRO CC(C)(CC(N)=O)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000755292311 652462079 /nfs/dbraw/zinc/46/20/79/652462079.db2.gz AWZIDNIEWAUSEV-SNVBAGLBSA-N 1 0 379.682 2.086 20 0 GEADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000582831228 652463289 /nfs/dbraw/zinc/46/32/89/652463289.db2.gz NYRNYHYBHUNIIY-KBPBESRZSA-N 1 0 382.555 2.389 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cnc(C)n2C)cc1Br ZINC000582856779 652464224 /nfs/dbraw/zinc/46/42/24/652464224.db2.gz FTSCPLJFFQHJKP-CQSZACIVSA-N 1 0 382.302 2.440 20 0 GEADRO O=C(NCc1ccc(Br)s1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662498364 652464416 /nfs/dbraw/zinc/46/44/16/652464416.db2.gz GPZZXCASZORIDJ-SNVBAGLBSA-N 1 0 384.303 2.347 20 0 GEADRO CCCS(=O)(=O)Nc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662539268 652466798 /nfs/dbraw/zinc/46/67/98/652466798.db2.gz UKGMGXGZCTVEDS-CQSZACIVSA-N 1 0 379.404 2.319 20 0 GEADRO COCCOc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000582941190 652467808 /nfs/dbraw/zinc/46/78/08/652467808.db2.gz PMWQXFRDWQNKEI-ZDUSSCGKSA-N 1 0 396.285 2.209 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000582938624 652467837 /nfs/dbraw/zinc/46/78/37/652467837.db2.gz VMDOHHVGRURPKU-SNVBAGLBSA-N 1 0 378.420 2.399 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc(Br)cc(N2CCCC2)c1 ZINC000662570273 652468068 /nfs/dbraw/zinc/46/80/68/652468068.db2.gz JKOCHNCTPVVKRJ-MRXNPFEDSA-N 1 0 382.302 2.158 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000582959015 652468799 /nfs/dbraw/zinc/46/87/99/652468799.db2.gz ULPAWMIQMBQCGV-JTQLQIEISA-N 1 0 384.303 2.299 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000662582322 652468915 /nfs/dbraw/zinc/46/89/15/652468915.db2.gz OBWDXYDRSWHXGD-NKZPBKNFSA-N 1 0 377.243 2.396 20 0 GEADRO CNc1cc(I)ccc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000582973699 652469206 /nfs/dbraw/zinc/46/92/06/652469206.db2.gz HHUJOECTJQIZQF-GHMZBOCLSA-N 1 0 387.265 2.498 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000628739951 652469373 /nfs/dbraw/zinc/46/93/73/652469373.db2.gz OXEVOOGRZJUOIT-CYBMUJFWSA-N 1 0 382.302 2.027 20 0 GEADRO C[N@H+](CC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)[C@H]1CCSC1 ZINC000628742418 652469657 /nfs/dbraw/zinc/46/96/57/652469657.db2.gz ZBVDRRDKUKRIBX-DLBZAZTESA-N 1 0 383.945 2.099 20 0 GEADRO O=C(COC1CC[NH2+]CC1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000662661048 652470448 /nfs/dbraw/zinc/47/04/48/652470448.db2.gz IKFRWTLKIDNZBF-INIZCTEOSA-N 1 0 383.286 2.118 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000662715976 652471134 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C[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@H]1C[NH3+] ZINC000662814614 652475388 /nfs/dbraw/zinc/47/53/88/652475388.db2.gz QLJWHHFBIUETDF-ZCDTZLGTSA-N 1 0 382.302 2.365 20 0 GEADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000662859114 652476172 /nfs/dbraw/zinc/47/61/72/652476172.db2.gz HQVUUJLIJYTWQO-PVUWLOKVSA-N 1 0 383.286 2.116 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)c1ccn2nnnc2c1)c1ccc(Cl)c(Cl)c1 ZINC000628968262 652476329 /nfs/dbraw/zinc/47/63/29/652476329.db2.gz FSWAEDWLKTZCMO-AWEZNQCLSA-N 1 0 379.251 2.464 20 0 GEADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628967604 652476426 /nfs/dbraw/zinc/47/64/26/652476426.db2.gz AGWZBIHFRUFJOV-MRXNPFEDSA-N 1 0 394.313 2.312 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862169 652476583 /nfs/dbraw/zinc/47/65/83/652476583.db2.gz FWUCTEHJSDEPKL-BZNIZROVSA-N 1 0 378.270 2.179 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000662924106 652478614 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CCS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000663364784 652495558 /nfs/dbraw/zinc/49/55/58/652495558.db2.gz VPEGFXQVRVHOAV-LBPRGKRZSA-N 1 0 382.309 2.290 20 0 GEADRO O[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1cccc(Br)c1 ZINC000663364556 652495569 /nfs/dbraw/zinc/49/55/69/652495569.db2.gz RTCAOAAIYPTDDH-SJORKVTESA-N 1 0 399.329 2.032 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2=O)ccc1Br ZINC000629982757 652500451 /nfs/dbraw/zinc/50/04/51/652500451.db2.gz WMVGTORHAINVBC-MRXNPFEDSA-N 1 0 394.313 2.463 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000583871691 652500856 /nfs/dbraw/zinc/50/08/56/652500856.db2.gz WUEFPZFZQOASER-STQMWFEESA-N 1 0 376.906 2.113 20 0 GEADRO CCCOc1c(Br)cc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1OC ZINC000663485071 652501753 /nfs/dbraw/zinc/50/17/53/652501753.db2.gz MGCCCUOFSGDQPG-UHFFFAOYSA-N 1 0 399.285 2.061 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000583922031 652502795 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O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1ccc(Br)cn1 ZINC000664679108 652534903 /nfs/dbraw/zinc/53/49/03/652534903.db2.gz XHETXWRWJBGOBP-ZDUSSCGKSA-N 1 0 395.301 2.021 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCOc1cccc(C(F)(F)F)n1 ZINC000758255539 652535329 /nfs/dbraw/zinc/53/53/29/652535329.db2.gz CKWFWMGOTIKXFD-GFCCVEGCSA-N 1 0 376.448 2.428 20 0 GEADRO O=C(N1CCOC2(C[NH2+]C2)C1)C1(c2ccc(Br)cc2)CCCC1 ZINC000664725359 652536867 /nfs/dbraw/zinc/53/68/67/652536867.db2.gz RFEWXKFMKXHFEU-UHFFFAOYSA-N 1 0 379.298 2.462 20 0 GEADRO C[C@H](CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)[NH+](C)C ZINC000664767283 652538128 /nfs/dbraw/zinc/53/81/28/652538128.db2.gz KNOIIWPZUASKHW-DOMZBBRYSA-N 1 0 397.317 2.194 20 0 GEADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1 ZINC000631891208 652538301 /nfs/dbraw/zinc/53/83/01/652538301.db2.gz ZGEAHROUPXGFMO-UHFFFAOYSA-N 1 0 382.452 2.180 20 0 GEADRO C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000664776050 652538522 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NS(=O)(=O)c1ccc(C[NH2+]CCCNc2ccccn2)cc1Br ZINC000666284576 652570915 /nfs/dbraw/zinc/57/09/15/652570915.db2.gz ZTFCNUNILWGGIY-UHFFFAOYSA-N 1 0 399.314 2.083 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(CO)CCCCC2)cc1Br ZINC000666284618 652570995 /nfs/dbraw/zinc/57/09/95/652570995.db2.gz NVGIJYQTDQDWCU-UHFFFAOYSA-N 1 0 391.331 2.129 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(F)c(F)cc3I)[C@H]2C1 ZINC000590044039 652573460 /nfs/dbraw/zinc/57/34/60/652573460.db2.gz FYYVLHYAQSGTQE-OQPBUACISA-N 1 0 392.187 2.346 20 0 GEADRO COC(=O)c1cccc(Br)c1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000590112551 652574966 /nfs/dbraw/zinc/57/49/66/652574966.db2.gz BVEQGYLPWYBFKH-UHFFFAOYSA-N 1 0 385.302 2.124 20 0 GEADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000590192554 652576414 /nfs/dbraw/zinc/57/64/14/652576414.db2.gz FLIUHXYMFYZRIC-JTQLQIEISA-N 1 0 375.238 2.260 20 0 GEADRO CC1(C)OCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000590242884 652577359 /nfs/dbraw/zinc/57/73/59/652577359.db2.gz 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COc1cc(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1Br ZINC000667325530 652601494 /nfs/dbraw/zinc/60/14/94/652601494.db2.gz PRMGBWNGBQJEMU-NOZJJQNGSA-N 1 0 388.262 2.046 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cc(Br)cnc1-n1cccn1 ZINC000667375735 652602941 /nfs/dbraw/zinc/60/29/41/652602941.db2.gz NAGVMXCELJZUOV-GFCCVEGCSA-N 1 0 379.262 2.293 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N2CCOc3cccc(Br)c3C2)cn1 ZINC000633591202 652603159 /nfs/dbraw/zinc/60/31/59/652603159.db2.gz RZEHPPQLNHKUPE-UHFFFAOYSA-N 1 0 393.285 2.242 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCO1 ZINC000667402733 652603711 /nfs/dbraw/zinc/60/37/11/652603711.db2.gz LQLCERKLRIBMBE-MADCSZMMSA-N 1 0 380.659 2.160 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000667424286 652604887 /nfs/dbraw/zinc/60/48/87/652604887.db2.gz ZUYPIHMTPTUNGH-UHFFFAOYSA-N 1 0 392.681 2.165 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000667422888 652604903 /nfs/dbraw/zinc/60/49/03/652604903.db2.gz 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GEADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[NH2+]C3)nc12 ZINC000669559522 652706168 /nfs/dbraw/zinc/70/61/68/652706168.db2.gz RFGWJQXCRFOPSF-LBPRGKRZSA-N 1 0 380.290 2.204 20 0 GEADRO O=C(NC[C@H]1CCCC[NH2+]1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000669572038 652706643 /nfs/dbraw/zinc/70/66/43/652706643.db2.gz WBHFHPAQJBHVJK-CABCVRRESA-N 1 0 381.318 2.469 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CCO1 ZINC000669580882 652707121 /nfs/dbraw/zinc/70/71/21/652707121.db2.gz UIEFZXGNIBSBPP-ZLKJLUDKSA-N 1 0 384.274 2.030 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669587196 652707592 /nfs/dbraw/zinc/70/75/92/652707592.db2.gz CFFJRTKSVJJQDK-HUUCEWRRSA-N 1 0 398.349 2.457 20 0 GEADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)CCN2C1=O ZINC000595229508 652708412 /nfs/dbraw/zinc/70/84/12/652708412.db2.gz KBQOZALMVIMOKC-GXSJLCMTSA-N 1 0 376.766 2.135 20 0 GEADRO C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1c(Cl)ccc(F)c1Cl ZINC000595264341 652712295 /nfs/dbraw/zinc/71/22/95/652712295.db2.gz VDOMPCDQKDVTTG-HOTUBEGUSA-N 1 0 389.258 2.147 20 0 GEADRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1c(Cl)ccc(F)c1Cl ZINC000595264339 652712489 /nfs/dbraw/zinc/71/24/89/652712489.db2.gz VDOMPCDQKDVTTG-AUTRQRHGSA-N 1 0 389.258 2.147 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NCCc1ccc(I)cc1 ZINC000595264532 652712499 /nfs/dbraw/zinc/71/24/99/652712499.db2.gz AZJSMGMVLSIHDW-LLVKDONJSA-N 1 0 375.254 2.131 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000669692841 652714395 /nfs/dbraw/zinc/71/43/95/652714395.db2.gz GWKXQTDRZMPMBL-IHRRRGAJSA-N 1 0 377.312 2.120 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000669718697 652715909 /nfs/dbraw/zinc/71/59/09/652715909.db2.gz HQGSVCJARXFKFN-ZDUSSCGKSA-N 1 0 393.278 2.035 20 0 GEADRO Cc1sc(Cl)nc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000762865777 652723216 /nfs/dbraw/zinc/72/32/16/652723216.db2.gz QTWKRHJUXAJSQI-UHFFFAOYSA-N 1 0 380.901 2.326 20 0 GEADRO CN1CCN(C(=O)CC[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000669927868 652727877 /nfs/dbraw/zinc/72/78/77/652727877.db2.gz CHYSVLJRSSRZHS-RYUDHWBXSA-N 1 0 375.357 2.213 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)c1ccsc1 ZINC000669938929 652728264 /nfs/dbraw/zinc/72/82/64/652728264.db2.gz FDRMBBLVRILDCV-NWDGAFQWSA-N 1 0 379.507 2.024 20 0 GEADRO COCCOCC[N@H+](C)CCC(=O)N1CCc2c(Br)cccc2C1 ZINC000635462833 652731868 /nfs/dbraw/zinc/73/18/68/652731868.db2.gz YCLZZGFBJYZGSE-UHFFFAOYSA-N 1 0 399.329 2.319 20 0 GEADRO O=C(NCCNC(=O)C12CCC[NH+](CCC1)C2)c1cccc(Br)c1 ZINC000635465603 652732725 /nfs/dbraw/zinc/73/27/25/652732725.db2.gz MXMVTZNDEGYEJZ-UHFFFAOYSA-N 1 0 394.313 2.171 20 0 GEADRO O=C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)Nc1cccc(I)c1 ZINC000595831321 652737791 /nfs/dbraw/zinc/73/77/91/652737791.db2.gz NUZRRMQZIPMEIF-NWDGAFQWSA-N 1 0 386.233 2.198 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635544453 652740581 /nfs/dbraw/zinc/74/05/81/652740581.db2.gz HXWYBBDHBFPINB-UHFFFAOYSA-N 1 0 377.291 2.424 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595951087 652742462 /nfs/dbraw/zinc/74/24/62/652742462.db2.gz XDDLFQBXUUQKNJ-QMMMGPOBSA-N 1 0 390.250 2.186 20 0 GEADRO O=C(NCc1cc(Cl)ccc1I)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000595963262 652744456 /nfs/dbraw/zinc/74/44/56/652744456.db2.gz PALUMLWZMSWTKZ-HFKOZYHYSA-N 1 0 376.625 2.311 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2nc3cc(I)ccc3[nH]2)C1 ZINC000595979778 652744702 /nfs/dbraw/zinc/74/47/02/652744702.db2.gz DBMDOBLNTJEYES-PELKAZGASA-N 1 0 384.221 2.494 20 0 GEADRO C[NH+](C)C1CC(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000670401294 652745168 /nfs/dbraw/zinc/74/51/68/652745168.db2.gz ARRWYHKLOSJQFZ-PESDSKBTSA-N 1 0 380.286 2.011 20 0 GEADRO CS(=O)(=O)[C@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000763381711 652754637 /nfs/dbraw/zinc/75/46/37/652754637.db2.gz HKGGYSWVTWUXJG-LBPRGKRZSA-N 1 0 399.310 2.231 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635811578 652756084 /nfs/dbraw/zinc/75/60/84/652756084.db2.gz KQTFKZPJSUGNAN-JTQLQIEISA-N 1 0 377.291 2.471 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1Br ZINC000670604978 652759189 /nfs/dbraw/zinc/75/91/89/652759189.db2.gz VEAJAHQKDFLINZ-QWHCGFSZSA-N 1 0 396.329 2.473 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000763611849 652764100 /nfs/dbraw/zinc/76/41/00/652764100.db2.gz CEJBXDVXOICUJQ-LSDHHAIUSA-N 1 0 388.965 2.121 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C[C@@H]3CCCS3(=O)=O)C2)s1 ZINC000635908763 652765106 /nfs/dbraw/zinc/76/51/06/652765106.db2.gz NCGALEKTFVEAKF-RDJZCZTQSA-N 1 0 384.567 2.304 20 0 GEADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)C12CCC[NH+](CCC1)C2 ZINC000635970807 652769997 /nfs/dbraw/zinc/76/99/97/652769997.db2.gz QTZWYOUZHJMBBJ-UHFFFAOYSA-N 1 0 384.929 2.496 20 0 GEADRO COC(=O)C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000763758095 652772249 /nfs/dbraw/zinc/77/22/49/652772249.db2.gz ZURJUXRCRVEPRN-GJZGRUSLSA-N 1 0 381.270 2.486 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](C(=O)OC)C1 ZINC000597243256 652777651 /nfs/dbraw/zinc/77/76/51/652777651.db2.gz FFQHJWCMFXSXBQ-JTNHKYCSSA-N 1 0 399.285 2.004 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104403 652778731 /nfs/dbraw/zinc/77/87/31/652778731.db2.gz IVJNSSCJPCNDNO-GJZGRUSLSA-N 1 0 394.313 2.151 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104760 652778831 /nfs/dbraw/zinc/77/88/31/652778831.db2.gz FTLGZYCBBMXGNM-HOTGVXAUSA-N 1 0 394.313 2.151 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cc(Br)cs1 ZINC000671158282 652781460 /nfs/dbraw/zinc/78/14/60/652781460.db2.gz JAXASBYLZVLJDS-GFCCVEGCSA-N 1 0 388.331 2.117 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671182675 652784928 /nfs/dbraw/zinc/78/49/28/652784928.db2.gz GNTDMUMDRAGSDN-HZPDHXFCSA-N 1 0 394.313 2.117 20 0 GEADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000607056303 652786970 /nfs/dbraw/zinc/78/69/70/652786970.db2.gz GXRCGKGRNHQJPW-UHFFFAOYSA-N 1 0 380.440 2.047 20 0 GEADRO CCN(C(=O)c1ccc(OC)c(I)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597946915 652793543 /nfs/dbraw/zinc/79/35/43/652793543.db2.gz SIMTWSDESUCQSV-GFCCVEGCSA-N 1 0 388.249 2.466 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000764269196 652794399 /nfs/dbraw/zinc/79/43/99/652794399.db2.gz OESHYUXANHCJTN-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2nc(Br)sc2C)CC1 ZINC000764509966 652803012 /nfs/dbraw/zinc/80/30/12/652803012.db2.gz WTEQQNHEAZJVLQ-NSHDSACASA-N 1 0 389.363 2.217 20 0 GEADRO O=C(NCCn1ccc(C(F)(F)F)n1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000636419559 652803317 /nfs/dbraw/zinc/80/33/17/652803317.db2.gz NZFZQDSVNWJGAL-ZDUSSCGKSA-N 1 0 376.448 2.236 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cscc2Br)CC1 ZINC000671686164 652807919 /nfs/dbraw/zinc/80/79/19/652807919.db2.gz YQTVCAOABOLNBK-ZDUSSCGKSA-N 1 0 386.315 2.065 20 0 GEADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000636567719 652808852 /nfs/dbraw/zinc/80/88/52/652808852.db2.gz MDSYYJHBKVTEHS-NEPJUHHUSA-N 1 0 375.416 2.126 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(I)c[nH]1 ZINC000598261022 652808986 /nfs/dbraw/zinc/80/89/86/652808986.db2.gz CQHNBIFRKFUSNX-LLVKDONJSA-N 1 0 375.254 2.470 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000636813927 652823897 /nfs/dbraw/zinc/82/38/97/652823897.db2.gz CSJKVFUUHLZVBY-HZPDHXFCSA-N 1 0 390.311 2.437 20 0 GEADRO Cc1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000636870089 652827298 /nfs/dbraw/zinc/82/72/98/652827298.db2.gz STHCHMJPKPEFMV-TZMCWYRMSA-N 1 0 394.313 2.115 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)COc1cccc(I)c1)C2 ZINC000598667849 652827632 /nfs/dbraw/zinc/82/76/32/652827632.db2.gz NFUVDJAKMSMDAV-ABAIWWIYSA-N 1 0 386.233 2.010 20 0 GEADRO CC(C)n1c(Sc2ccc(S(C)(=O)=O)cn2)nnc1C1CC[NH2+]CC1 ZINC000672219101 652831053 /nfs/dbraw/zinc/83/10/53/652831053.db2.gz VZPNHIHMSDIVKH-UHFFFAOYSA-N 1 0 381.527 2.276 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598724121 652831617 /nfs/dbraw/zinc/83/16/17/652831617.db2.gz ILXALFOHPXKLDK-GTNSWQLSSA-N 1 0 380.491 2.190 20 0 GEADRO C[NH+](C)CC1(CNC(=O)c2cc3ncc(Br)cn3n2)CCCC1 ZINC000637114263 652839101 /nfs/dbraw/zinc/83/91/01/652839101.db2.gz IRULBVQPTHRZOR-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO COCC[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637126026 652840720 /nfs/dbraw/zinc/84/07/20/652840720.db2.gz JOHRBTVHCPJLHD-BBRMVZONSA-N 1 0 390.311 2.437 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000637130546 652841039 /nfs/dbraw/zinc/84/10/39/652841039.db2.gz OSEDLNNOGMHGPL-AWEZNQCLSA-N 1 0 380.901 2.329 20 0 GEADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000637140007 652842194 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CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638552829 652893959 /nfs/dbraw/zinc/89/39/59/652893959.db2.gz SPHSKXKJPLIQFZ-WCQYABFASA-N 1 0 378.416 2.080 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000638559013 652894501 /nfs/dbraw/zinc/89/45/01/652894501.db2.gz BGBCOZMGYGUSOU-UHFFFAOYSA-N 1 0 395.257 2.238 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(Br)cn2)CC[C@H]1C(F)(F)F ZINC000638561461 652894864 /nfs/dbraw/zinc/89/48/64/652894864.db2.gz GYKQEPHUHBNAOX-GXSJLCMTSA-N 1 0 396.207 2.209 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000638561329 652894979 /nfs/dbraw/zinc/89/49/79/652894979.db2.gz RKRWHNWPTHOCOC-OAHLLOKOSA-N 1 0 376.254 2.183 20 0 GEADRO Cc1ncc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)s1 ZINC000638563661 652895208 /nfs/dbraw/zinc/89/52/08/652895208.db2.gz QRTGYDSOUOLWEI-UHFFFAOYSA-N 1 0 376.301 2.151 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000638569418 652895469 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Cc1sc2nc(C)nc(SCC(=O)NC3(C[NH3+])CCOCC3)c2c1C ZINC000638636313 652899929 /nfs/dbraw/zinc/89/99/29/652899929.db2.gz XDYMPGUDXIPTOZ-UHFFFAOYSA-N 1 0 380.539 2.333 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)C[NH2+]1 ZINC000638648069 652901101 /nfs/dbraw/zinc/90/11/01/652901101.db2.gz JZESTLPSPMLUHD-VXGBXAGGSA-N 1 0 399.563 2.158 20 0 GEADRO COc1nsc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1Br ZINC000638659480 652901313 /nfs/dbraw/zinc/90/13/13/652901313.db2.gz FQUUIABOLRVXBI-IUCAKERBSA-N 1 0 383.333 2.360 20 0 GEADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638685187 652902786 /nfs/dbraw/zinc/90/27/86/652902786.db2.gz BJWOGEBFDSYPRG-HOTGVXAUSA-N 1 0 394.313 2.289 20 0 GEADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cn(CC[NH3+])nn1 ZINC000638699288 652903721 /nfs/dbraw/zinc/90/37/21/652903721.db2.gz NTZIFUAWGKWCSV-YPMHNXCESA-N 1 0 378.274 2.018 20 0 GEADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)o1)Oc1cccc(Br)c1 ZINC000638709926 652904222 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ZINC000639110571 652919587 /nfs/dbraw/zinc/91/95/87/652919587.db2.gz PKZCTULAMGMXBH-OCCSQVGLSA-N 1 0 381.416 2.250 20 0 GEADRO C[C@](CO)([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000639159713 652924174 /nfs/dbraw/zinc/92/41/74/652924174.db2.gz IFRSIRMDBITVMX-MRXNPFEDSA-N 1 0 399.310 2.094 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccncc2Br)cc1O ZINC000639174022 652925725 /nfs/dbraw/zinc/92/57/25/652925725.db2.gz MQUCDIMCONGBMZ-CYBMUJFWSA-N 1 0 381.270 2.499 20 0 GEADRO O[C@@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000639201272 652926940 /nfs/dbraw/zinc/92/69/40/652926940.db2.gz HMHVQZDBVGBULO-PWSUYJOCSA-N 1 0 379.180 2.427 20 0 GEADRO CN1CC[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000639278199 652929939 /nfs/dbraw/zinc/92/99/39/652929939.db2.gz ANIICTUCAPMOQT-OWCLPIDISA-N 1 0 394.313 2.321 20 0 GEADRO C[C@]12C[N@H+](Cc3nc4cc(Br)ccc4o3)C[C@@]1(C)C(=O)NC2=O ZINC000639365610 652934547 /nfs/dbraw/zinc/93/45/47/652934547.db2.gz PMCQKBKKGYQVEG-IYBDPMFKSA-N 1 0 378.226 2.075 20 0 GEADRO [NH3+][C@H](c1cn(Cc2ccccc2I)nn1)C1CCOCC1 ZINC000600970444 652946429 /nfs/dbraw/zinc/94/64/29/652946429.db2.gz KBZJXTCXHDYGII-HNNXBMFYSA-N 1 0 398.248 2.357 20 0 GEADRO Nc1nnc(C2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)o1 ZINC000639725923 652950125 /nfs/dbraw/zinc/95/01/25/652950125.db2.gz MSCWRSOTZILLMW-LBPRGKRZSA-N 1 0 387.267 2.578 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000639764603 652952638 /nfs/dbraw/zinc/95/26/38/652952638.db2.gz HLWVBEQAPDQVDL-YOEHRIQHSA-N 1 0 377.312 2.122 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnc1Cl ZINC000767827056 652953280 /nfs/dbraw/zinc/95/32/80/652953280.db2.gz XYQCGBOBWHEUMC-IUODEOHRSA-N 1 0 385.917 2.381 20 0 GEADRO COc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cnc1Cl ZINC000767826996 652953435 /nfs/dbraw/zinc/95/34/35/652953435.db2.gz XPSDUDCAQNHSGQ-CYBMUJFWSA-N 1 0 375.922 2.390 20 0 GEADRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000601120844 652955265 /nfs/dbraw/zinc/95/52/65/652955265.db2.gz ODHPLXYBNOWOTI-HSZRJFAPSA-N 1 0 386.926 2.156 20 0 GEADRO Cc1csc(CC2(O)CC[NH+](C[C@H](O)COCc3cccs3)CC2)n1 ZINC000639807871 652956272 /nfs/dbraw/zinc/95/62/72/652956272.db2.gz MQTSAFAZIQWLMG-HNNXBMFYSA-N 1 0 382.551 2.460 20 0 GEADRO CC[N@H+](Cc1ccc(S(=O)(=O)NC)cc1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639824669 653085899 /nfs/dbraw/zinc/08/58/99/653085899.db2.gz INRBFIFTSNSLFK-AWEZNQCLSA-N 1 0 379.448 2.053 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3c(F)cncc3Br)C2)CC1 ZINC000601312540 653086159 /nfs/dbraw/zinc/08/61/59/653086159.db2.gz MCYAGTRQHYTOTG-ZDUSSCGKSA-N 1 0 399.308 2.224 20 0 GEADRO Nc1nnc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000639827467 653086206 /nfs/dbraw/zinc/08/62/06/653086206.db2.gz ZEECUDORZGLMRA-QWRGUYRKSA-N 1 0 387.267 2.578 20 0 GEADRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1I ZINC000601335359 653086830 /nfs/dbraw/zinc/08/68/30/653086830.db2.gz SRCIFJNJPDZMEL-DOMZBBRYSA-N 1 0 399.276 2.304 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CCN(C)C[C@@H]1CO ZINC000639872422 653087155 /nfs/dbraw/zinc/08/71/55/653087155.db2.gz QIRMHHBNGZGSKQ-MRXNPFEDSA-N 1 0 398.345 2.393 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000601336319 653087282 /nfs/dbraw/zinc/08/72/82/653087282.db2.gz KMKBQCIOBFGQQP-SJORKVTESA-N 1 0 396.329 2.498 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000639890331 653087593 /nfs/dbraw/zinc/08/75/93/653087593.db2.gz RYMBYSKFYJROON-QYZOEREBSA-N 1 0 398.341 2.171 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1F ZINC000601347743 653087742 /nfs/dbraw/zinc/08/77/42/653087742.db2.gz NLLZUFGMFHJKEO-HOMQSWHASA-N 1 0 378.853 2.062 20 0 GEADRO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639918559 653088772 /nfs/dbraw/zinc/08/87/72/653088772.db2.gz MQINHYGAIPXNAV-WFASDCNBSA-N 1 0 396.336 2.490 20 0 GEADRO CCS[C@H](C)c1noc(CN(C)S(=O)(=O)CCC[NH+]2CCCC2)n1 ZINC000601373510 653089331 /nfs/dbraw/zinc/08/93/31/653089331.db2.gz VYPHOMMRMGLMII-CYBMUJFWSA-N 1 0 376.548 2.131 20 0 GEADRO C[C@]12C[NH+](Cc3nc4ccc(Br)cc4o3)C[C@]1(C)C(=O)NC2=O ZINC000639943614 653089401 /nfs/dbraw/zinc/08/94/01/653089401.db2.gz BSPVQTADGJHPJD-HZPDHXFCSA-N 1 0 378.226 2.075 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cnn(C3CCCC3)c2)C[C@H]1[NH+]1CCCC1 ZINC000601397646 653091264 /nfs/dbraw/zinc/09/12/64/653091264.db2.gz QSGBTEHSNHBXCV-IAGOWNOFSA-N 1 0 384.571 2.199 20 0 GEADRO NS(=O)(=O)c1ccc(OCC[NH+]2CCC(Cc3nccs3)CC2)cc1 ZINC000639985426 653092335 /nfs/dbraw/zinc/09/23/35/653092335.db2.gz ITBJIXRJCLNPFI-UHFFFAOYSA-N 1 0 381.523 2.124 20 0 GEADRO CO[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)[C@@](C)(CO)C1 ZINC000639997818 653092804 /nfs/dbraw/zinc/09/28/04/653092804.db2.gz OKOTWGKHZLJGEX-XJKSGUPXSA-N 1 0 382.258 2.471 20 0 GEADRO O=C(CC[NH+]1CCN([C@@H]2CCOC2)CC1)Nc1cccc(Br)c1 ZINC000676317930 653094438 /nfs/dbraw/zinc/09/44/38/653094438.db2.gz PJTYRELJFAIOSL-MRXNPFEDSA-N 1 0 382.302 2.184 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000640130383 653096582 /nfs/dbraw/zinc/09/65/82/653096582.db2.gz AFBIUKOOBFOGNS-LHHMISFZSA-N 1 0 381.314 2.154 20 0 GEADRO CCOCC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000676477022 653097384 /nfs/dbraw/zinc/09/73/84/653097384.db2.gz FAOMZILCAQECRW-CQSZACIVSA-N 1 0 377.312 2.387 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000768177466 653104096 /nfs/dbraw/zinc/10/40/96/653104096.db2.gz TWWZAFZZLJGUTO-IUCAKERBSA-N 1 0 389.681 2.035 20 0 GEADRO CN1C(=O)C[C@H](NC(=S)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000768287385 653108277 /nfs/dbraw/zinc/10/82/77/653108277.db2.gz WKYFHMQCLIMEOO-RDJZCZTQSA-N 1 0 380.945 2.170 20 0 GEADRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000768296393 653108528 /nfs/dbraw/zinc/10/85/28/653108528.db2.gz PGSAVIWGDJKOQD-UHFFFAOYSA-N 1 0 388.469 2.280 20 0 GEADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@H](CC(N)=O)C3)C2=O)ccc1Br ZINC000676904182 653116432 /nfs/dbraw/zinc/11/64/32/653116432.db2.gz VRPNCEHHGQAVRM-CJNGLKHVSA-N 1 0 394.313 2.450 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1nn(C)cc1Br ZINC000640312478 653116670 /nfs/dbraw/zinc/11/66/70/653116670.db2.gz NGMDHWODWGWLCM-DOMZBBRYSA-N 1 0 392.301 2.825 20 0 GEADRO O=C(NCC[NH+]1CCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000676948264 653117344 /nfs/dbraw/zinc/11/73/44/653117344.db2.gz CSAIOLKDQRWOES-UHFFFAOYSA-N 1 0 394.313 2.123 20 0 GEADRO Cn1cc(Br)c(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000640315319 653118699 /nfs/dbraw/zinc/11/86/99/653118699.db2.gz ODTMSRCWICYHCO-CYBMUJFWSA-N 1 0 384.253 2.746 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc2c(cncc2Br)s1 ZINC000640320391 653120372 /nfs/dbraw/zinc/12/03/72/653120372.db2.gz QIHDHORRQKQDSW-JTQLQIEISA-N 1 0 384.299 2.245 20 0 GEADRO Cn1cc(Br)c(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000640326851 653120826 /nfs/dbraw/zinc/12/08/26/653120826.db2.gz MVVVRBUVAUIKEC-UHFFFAOYSA-N 1 0 384.253 2.705 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000640337446 653121269 /nfs/dbraw/zinc/12/12/69/653121269.db2.gz LXXOIRBMGZPHFU-UHFFFAOYSA-N 1 0 395.301 2.234 20 0 GEADRO CSc1ccc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000677809892 653122418 /nfs/dbraw/zinc/12/24/18/653122418.db2.gz DQKCDTOOJZBBMK-UHFFFAOYSA-N 1 0 381.523 2.222 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640384246 653123854 /nfs/dbraw/zinc/12/38/54/653123854.db2.gz BUOIRCNOENGNGQ-UHFFFAOYSA-N 1 0 387.378 3.046 20 0 GEADRO CC(C)[C@H]1CN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC[N@@H+]1C ZINC000640387718 653125146 /nfs/dbraw/zinc/12/51/46/653125146.db2.gz XUCGZEGYEJKWBJ-MRVPVSSYSA-N 1 0 387.378 2.996 20 0 GEADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805821936 653130536 /nfs/dbraw/zinc/13/05/36/653130536.db2.gz NBDFLGUECSFMRH-MSOLQXFVSA-N 1 0 383.897 2.490 20 0 GEADRO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC(F)(F)Br ZINC000805837209 653131511 /nfs/dbraw/zinc/13/15/11/653131511.db2.gz WRAHEIUQCWGPGQ-ZDUSSCGKSA-N 1 0 378.261 2.325 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c(Br)c1 ZINC000678924839 653134319 /nfs/dbraw/zinc/13/43/19/653134319.db2.gz ISCWLPBMGJQLSN-LLVKDONJSA-N 1 0 392.315 2.048 20 0 GEADRO Ic1cc2ncnc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2s1 ZINC000601980339 653136172 /nfs/dbraw/zinc/13/61/72/653136172.db2.gz IUFLEUFYHQJEBR-WPRPVWTQSA-N 1 0 386.262 2.484 20 0 GEADRO Cc1ccc(NC(=O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c(Br)c1 ZINC000640770557 653137355 /nfs/dbraw/zinc/13/73/55/653137355.db2.gz IHFRTKBVNIZDMI-LBPRGKRZSA-N 1 0 378.274 2.140 20 0 GEADRO CC[NH+](CC)CCOC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000772044200 653138053 /nfs/dbraw/zinc/13/80/53/653138053.db2.gz MVSQZHQCPLWWJM-UHFFFAOYSA-N 1 0 392.315 2.249 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640800428 653139816 /nfs/dbraw/zinc/13/98/16/653139816.db2.gz FYJZJKAAJOXULF-GFCCVEGCSA-N 1 0 395.305 2.021 20 0 GEADRO O=C(NC[C@@H]1CC1(Cl)Cl)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769016595 653140921 /nfs/dbraw/zinc/14/09/21/653140921.db2.gz NZIWXUJPLUGYDI-HRCADAONSA-N 1 0 386.323 2.362 20 0 GEADRO C[NH2+]C(C)(C)c1cn(CC(=O)N[C@@H](C)c2ccc(Br)cc2)nn1 ZINC000640846586 653141545 /nfs/dbraw/zinc/14/15/45/653141545.db2.gz BVBCCXIBDZSAEJ-NSHDSACASA-N 1 0 380.290 2.373 20 0 GEADRO CC[NH+](CC)CCOC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000772239328 653143026 /nfs/dbraw/zinc/14/30/26/653143026.db2.gz YFOPPWZVAHDHFW-UHFFFAOYSA-N 1 0 378.288 2.351 20 0 GEADRO COCC[C@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640880715 653143511 /nfs/dbraw/zinc/14/35/11/653143511.db2.gz LWVMMPQXMDYGOI-AAEUAGOBSA-N 1 0 396.289 2.147 20 0 GEADRO CS(=O)(=O)NCCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679330485 653144206 /nfs/dbraw/zinc/14/42/06/653144206.db2.gz KPUWWGKZWKBIPI-HUUCEWRRSA-N 1 0 391.331 2.198 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000640900751 653145468 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Cn1c(Cl)ncc1S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000769402406 653152955 /nfs/dbraw/zinc/15/29/55/653152955.db2.gz HISIWHJPLIUWGH-UHFFFAOYSA-N 1 0 388.946 2.326 20 0 GEADRO [NH3+]C1CCN(CCc2cn(CCOc3ccccc3Br)nn2)CC1 ZINC000641057541 653153410 /nfs/dbraw/zinc/15/34/10/653153410.db2.gz CWBGEHJIKNPEHN-UHFFFAOYSA-N 1 0 394.317 2.085 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000641070250 653154186 /nfs/dbraw/zinc/15/41/86/653154186.db2.gz BHHSMLWRGGWKCY-HZPDHXFCSA-N 1 0 398.345 2.350 20 0 GEADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)N[C@H]1CCC[NH2+]CC1 ZINC000641089441 653155097 /nfs/dbraw/zinc/15/50/97/653155097.db2.gz BJGNHJWANJNVJL-ZDUSSCGKSA-N 1 0 394.273 2.440 20 0 GEADRO CS[C@H]1CN(c2ncnc3c2c(Br)nn3C)C[C@@H]1[NH+]1CCCC1 ZINC000772581669 653155249 /nfs/dbraw/zinc/15/52/49/653155249.db2.gz XVSQBYFBGYVRSO-QWRGUYRKSA-N 1 0 397.346 2.142 20 0 GEADRO [NH3+][C@H](CO)c1cn(Cc2cccc(OCC(F)(F)F)c2Br)nn1 ZINC000641115864 653158218 /nfs/dbraw/zinc/15/82/18/653158218.db2.gz GZGMYIGFKCRKNG-SECBINFHSA-N 1 0 395.179 2.022 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000769512620 653160249 /nfs/dbraw/zinc/16/02/49/653160249.db2.gz OZTQNTJELRARGN-HUUCEWRRSA-N 1 0 377.551 2.082 20 0 GEADRO CC1CC[NH+](CCc2cccc(NC(=S)NCCS(C)(=O)=O)c2)CC1 ZINC000769555399 653162344 /nfs/dbraw/zinc/16/23/44/653162344.db2.gz SXGXLJZHDPMKBU-UHFFFAOYSA-N 1 0 383.583 2.292 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2nc3cc(Br)ccc3[nH]2)nn1)[C@@H]1CCCO1 ZINC000641161520 653163245 /nfs/dbraw/zinc/16/32/45/653163245.db2.gz DOWXXJLWAUXCHY-ZFWWWQNUSA-N 1 0 377.246 2.144 20 0 GEADRO COCC[C@@H]([NH3+])Cc1cn(Cc2c(F)ccc(Br)c2F)nn1 ZINC000641172886 653165458 /nfs/dbraw/zinc/16/54/58/653165458.db2.gz CRCHVOOQVQPWBI-SECBINFHSA-N 1 0 375.217 2.273 20 0 GEADRO Cc1cc(Br)c(Cn2cc(CCN3CC[NH2+]CC3)nn2)cc1Cl ZINC000641171943 653165472 /nfs/dbraw/zinc/16/54/72/653165472.db2.gz XOKXGKATUNIQBL-UHFFFAOYSA-N 1 0 398.736 2.498 20 0 GEADRO COCC[NH2+]CCc1cn(CCOc2cc(F)cc(Br)c2)nn1 ZINC000641173096 653166048 /nfs/dbraw/zinc/16/60/48/653166048.db2.gz AETVRFBEYJSGHH-UHFFFAOYSA-N 1 0 387.253 2.037 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nccn2c(Br)cnc12 ZINC000769617211 653165815 /nfs/dbraw/zinc/16/58/15/653165815.db2.gz MPSKSJDJFVNLHC-LBPRGKRZSA-N 1 0 380.290 2.486 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)nn1)[C@@H]1CCCO1 ZINC000641202701 653169550 /nfs/dbraw/zinc/16/95/50/653169550.db2.gz NSYPDYGTGUJMAD-DIOULYMOSA-N 1 0 387.267 2.204 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1OC ZINC000602338958 653171950 /nfs/dbraw/zinc/17/19/50/653171950.db2.gz YOPHPQFROKKCSI-HZPDHXFCSA-N 1 0 399.329 2.497 20 0 GEADRO C[C@](O)(C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1)C1CC1 ZINC000641231805 653172374 /nfs/dbraw/zinc/17/23/74/653172374.db2.gz ODOBAMFXSBXAAB-XIRDDKMYSA-N 1 0 395.301 2.001 20 0 GEADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000680934132 653174361 /nfs/dbraw/zinc/17/43/61/653174361.db2.gz IRVNJYMKAZXWJU-IAGOWNOFSA-N 1 0 381.314 2.415 20 0 GEADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)c1 ZINC000641283599 653177955 /nfs/dbraw/zinc/17/79/55/653177955.db2.gz VMTGWNZMEQJKAE-OAHLLOKOSA-N 1 0 376.469 2.338 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)ccc1S(=O)(=O)C(F)F ZINC000773064026 653179138 /nfs/dbraw/zinc/17/91/38/653179138.db2.gz LTFUOMZKFPHOOM-JQLIAFOBSA-N 1 0 383.482 2.499 20 0 GEADRO C[NH+]1CCC(N(CCO)Cc2ccc(I)s2)CC1 ZINC000602430651 653179948 /nfs/dbraw/zinc/17/99/48/653179948.db2.gz LCJZMOLHXNOLOO-UHFFFAOYSA-N 1 0 380.295 2.241 20 0 GEADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602443254 653181507 /nfs/dbraw/zinc/18/15/07/653181507.db2.gz BORSYGABBJXTDV-YDBLSZJJSA-N 1 0 376.444 2.253 20 0 GEADRO O=C(c1nccn2c(Br)cnc12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000769841278 653181580 /nfs/dbraw/zinc/18/15/80/653181580.db2.gz DJODFWWYJIERNL-UHFFFAOYSA-N 1 0 392.301 2.440 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C3([S@@](C)=O)CC[NH2+]CC3)s2)cs1 ZINC000602442732 653181543 /nfs/dbraw/zinc/18/15/43/653181543.db2.gz WQIZHJGNSYLLJL-XMMPIXPASA-N 1 0 383.564 2.297 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C3([S@@](C)=O)CC[NH2+]CC3)cc2)cs1 ZINC000602447924 653181680 /nfs/dbraw/zinc/18/16/80/653181680.db2.gz HCCIPOXRSTZORU-RUZDIDTESA-N 1 0 377.535 2.235 20 0 GEADRO CN(Cc1cc(Br)ccc1F)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602448664 653182158 /nfs/dbraw/zinc/18/21/58/653182158.db2.gz LJQSEBHUSNCXKY-QFIPXVFZSA-N 1 0 391.306 2.047 20 0 GEADRO COCCSc1ccc([C@@H](C)NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)cc1 ZINC000602452227 653182169 /nfs/dbraw/zinc/18/21/69/653182169.db2.gz SPTQNJJFLAUNJT-DLUDVSRJSA-N 1 0 384.567 2.103 20 0 GEADRO COC(=O)[C@H](NC(=O)c1oc(C[NH3+])cc1C)c1ccc(Br)cc1 ZINC000602450646 653182175 /nfs/dbraw/zinc/18/21/75/653182175.db2.gz RMYICYBMGODOGJ-CYBMUJFWSA-N 1 0 381.226 2.453 20 0 GEADRO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000769845413 653182085 /nfs/dbraw/zinc/18/20/85/653182085.db2.gz KLKJZPWYYVKXCG-UHFFFAOYSA-N 1 0 386.470 2.092 20 0 GEADRO C[C@H]1COCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000641302785 653182557 /nfs/dbraw/zinc/18/25/57/653182557.db2.gz UKDWFSGXBQZYSS-SUMWQHHRSA-N 1 0 376.469 2.083 20 0 GEADRO COc1ccccc1SC[C@H](C)CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602454265 653182777 /nfs/dbraw/zinc/18/27/77/653182777.db2.gz QUBRMMSRMKLYLL-DLUDVSRJSA-N 1 0 384.567 2.040 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000773195724 653186946 /nfs/dbraw/zinc/18/69/46/653186946.db2.gz APFNRBWYPXQULR-CJNGLKHVSA-N 1 0 394.313 2.403 20 0 GEADRO COCc1ccc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1C(F)(F)F ZINC000602522687 653187644 /nfs/dbraw/zinc/18/76/44/653187644.db2.gz FZAYMCUOUIMHJK-VWLOTQADSA-N 1 0 378.416 2.291 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)[C@H](C)C1 ZINC000641330067 653188212 /nfs/dbraw/zinc/18/82/12/653188212.db2.gz LPVWLXNFHZJNHU-ILXRZTDVSA-N 1 0 382.517 2.334 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccns1)COc1ccc(I)cc1 ZINC000602536030 653188931 /nfs/dbraw/zinc/18/89/31/653188931.db2.gz WAVXSDSNOOHUJW-NSHDSACASA-N 1 0 390.246 2.277 20 0 GEADRO O[C@@H](C[NH2+]CCC[C@@H]1CCO1)COc1ccc(I)cc1 ZINC000602535079 653189009 /nfs/dbraw/zinc/18/90/09/653189009.db2.gz MQKCEOADENTXAA-UONOGXRCSA-N 1 0 391.249 2.190 20 0 GEADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(I)cc2F)C1 ZINC000602532776 653189058 /nfs/dbraw/zinc/18/90/58/653189058.db2.gz XRNVBXQSFJJXIB-NOZJJQNGSA-N 1 0 378.185 2.136 20 0 GEADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000602564012 653191141 /nfs/dbraw/zinc/19/11/41/653191141.db2.gz KJSWERIFAXZHRX-RYUDHWBXSA-N 1 0 387.299 2.383 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000602559529 653191324 /nfs/dbraw/zinc/19/13/24/653191324.db2.gz DMLBISJCMWVDJP-WHOFXGATSA-N 1 0 383.286 2.434 20 0 GEADRO CC1(C)[C@H](CS(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1(F)F ZINC000641363487 653192575 /nfs/dbraw/zinc/19/25/75/653192575.db2.gz ANJFGNXASDWNPI-HNNXBMFYSA-N 1 0 380.501 2.184 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCC(=O)c1ccc(I)cc1 ZINC000602596929 653193182 /nfs/dbraw/zinc/19/31/82/653193182.db2.gz TTWUAZSQZLIQOK-ZWNOBZJWSA-N 1 0 386.233 2.202 20 0 GEADRO CN1CCC(CCO)([NH2+]Cc2ccc(I)s2)CC1 ZINC000602610131 653194380 /nfs/dbraw/zinc/19/43/80/653194380.db2.gz GEEWUYCTPQEKLS-UHFFFAOYSA-N 1 0 380.295 2.289 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000773342969 653194900 /nfs/dbraw/zinc/19/49/00/653194900.db2.gz FKGLAPVLVLKBHR-LBPRGKRZSA-N 1 0 394.313 2.477 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(I)s2)CCC1 ZINC000602638173 653197210 /nfs/dbraw/zinc/19/72/10/653197210.db2.gz LVPLSYDLCXQLQO-UHFFFAOYSA-N 1 0 385.292 2.410 20 0 GEADRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000602651993 653198191 /nfs/dbraw/zinc/19/81/91/653198191.db2.gz BXDWPSMQYWOXIZ-HSZRJFAPSA-N 1 0 386.926 2.156 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(I)s1)C1(S(C)(=O)=O)CC1 ZINC000602662552 653198840 /nfs/dbraw/zinc/19/88/40/653198840.db2.gz PFYDESNSVGNRLD-MRVPVSSYSA-N 1 0 385.292 2.408 20 0 GEADRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(I)s1 ZINC000602666215 653199600 /nfs/dbraw/zinc/19/96/00/653199600.db2.gz YPCJVBTWFPQPJI-VIFPVBQESA-N 1 0 384.308 2.310 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)C[C@@]2(C)CC2(F)F)CC1 ZINC000641403964 653200017 /nfs/dbraw/zinc/20/00/17/653200017.db2.gz UMKXNEYDTYPERN-MRXNPFEDSA-N 1 0 382.517 2.432 20 0 GEADRO Cc1ccc(OCCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(Br)c1 ZINC000682009341 653203253 /nfs/dbraw/zinc/20/32/53/653203253.db2.gz UYWZZQFHSKDYTF-UHFFFAOYSA-N 1 0 399.329 2.442 20 0 GEADRO CC1(C)CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CCO ZINC000682034830 653205340 /nfs/dbraw/zinc/20/53/40/653205340.db2.gz CBJLNXOBZFKGLP-ZDUSSCGKSA-N 1 0 377.312 2.122 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2ncc(Br)cc2Br)CC1 ZINC000773550062 653205486 /nfs/dbraw/zinc/20/54/86/653205486.db2.gz HQCGCKDRDLAYPE-UHFFFAOYSA-N 1 0 393.079 2.362 20 0 GEADRO COc1ccc(C(=O)NOC2CC[NH+](C)CC2)c(I)c1 ZINC000773548361 653205637 /nfs/dbraw/zinc/20/56/37/653205637.db2.gz WSOAVAKQSBZBNC-UHFFFAOYSA-N 1 0 390.221 2.055 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)C[C@]2(C)CC2(F)F)c1 ZINC000641454996 653207960 /nfs/dbraw/zinc/20/79/60/653207960.db2.gz MAFKFUCKMVPLQW-INIZCTEOSA-N 1 0 376.469 2.434 20 0 GEADRO C[C@H]([NH3+])CNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000641474853 653210809 /nfs/dbraw/zinc/21/08/09/653210809.db2.gz NBBBHDQPHRKBGE-WRWORJQWSA-N 1 0 384.196 2.148 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000682690226 653221476 /nfs/dbraw/zinc/22/14/76/653221476.db2.gz ODCPAKIQIGMJOE-DAXOMENPSA-N 1 0 394.313 2.401 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CN1c2cccc(Br)c2C(=O)C1=O ZINC000808191548 653221981 /nfs/dbraw/zinc/22/19/81/653221981.db2.gz OESMQMOESBQQKZ-JSGCOSHPSA-N 1 0 392.297 2.495 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000774061740 653222356 /nfs/dbraw/zinc/22/23/56/653222356.db2.gz NKPRJUPUIWFWEP-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000774079691 653223543 /nfs/dbraw/zinc/22/35/43/653223543.db2.gz WDBJRGADUHTHNO-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO CN(CCCC[NH+]1CCCCC1)C(=O)Cn1cc(Br)ccc1=O ZINC000641662225 653229192 /nfs/dbraw/zinc/22/91/92/653229192.db2.gz ZMDCKEOXQCTENF-UHFFFAOYSA-N 1 0 384.318 2.335 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCCc2sccc2C1 ZINC000641658742 653229278 /nfs/dbraw/zinc/22/92/78/653229278.db2.gz BSLBAYDXAFYNGL-CQSZACIVSA-N 1 0 376.448 2.042 20 0 GEADRO CN(CC1CC[NH+](C)CC1)c1c(F)cc(S(N)(=O)=O)cc1Br ZINC000683189179 653230247 /nfs/dbraw/zinc/23/02/47/653230247.db2.gz IUANBXNSNMHDCF-UHFFFAOYSA-N 1 0 394.310 2.014 20 0 GEADRO CC(C)c1cc(NC[C@@]2(O)CCSC2)nc(NC[C@]2(O)CCSC2)[nH+]1 ZINC000683189314 653230279 /nfs/dbraw/zinc/23/02/79/653230279.db2.gz ISTYINJCTCWOLM-DLBZAZTESA-N 1 0 384.571 2.160 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000683198788 653231264 /nfs/dbraw/zinc/23/12/64/653231264.db2.gz 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C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(N)nc(Br)c1 ZINC000874440801 653318953 /nfs/dbraw/zinc/31/89/53/653318953.db2.gz ABEKGNZWWDCOSK-UHFFFAOYSA-N 1 0 378.274 2.025 20 0 GEADRO O[C@]1(CNc2ncnc(F)c2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000702592445 653319711 /nfs/dbraw/zinc/31/97/11/653319711.db2.gz YMMNWIQAKBMERP-INIZCTEOSA-N 1 0 381.249 2.427 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000810058673 653320075 /nfs/dbraw/zinc/32/00/75/653320075.db2.gz RAYQYLYOHGGOAW-GJZGRUSLSA-N 1 0 377.551 2.036 20 0 GEADRO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000703757835 653320890 /nfs/dbraw/zinc/32/08/90/653320890.db2.gz QWRQYNHIGCGZCI-JSGCOSHPSA-N 1 0 386.290 2.162 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000810075030 653320962 /nfs/dbraw/zinc/32/09/62/653320962.db2.gz DDEMJLRIBGBSBM-LSDHHAIUSA-N 1 0 377.551 2.036 20 0 GEADRO Cn1cc(CNC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)c(Br)n1 ZINC000712448777 653324052 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Cc1ccccc1C[NH+]1CCC(NC(=O)c2c(Br)nnn2C)CC1 ZINC000810157183 653328413 /nfs/dbraw/zinc/32/84/13/653328413.db2.gz JWGUPWUJAAYAQG-UHFFFAOYSA-N 1 0 392.301 2.280 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000836088925 653330085 /nfs/dbraw/zinc/33/00/85/653330085.db2.gz IFCOEWIVKAWWHU-GFCCVEGCSA-N 1 0 383.290 2.032 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000775819813 653330166 /nfs/dbraw/zinc/33/01/66/653330166.db2.gz LKYKFYWFSCFCAZ-UHFFFAOYSA-N 1 0 380.539 2.338 20 0 GEADRO Cn1nnc(Br)c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000810267171 653332703 /nfs/dbraw/zinc/33/27/03/653332703.db2.gz KLBIDAPKOAOQOE-UHFFFAOYSA-N 1 0 398.330 2.281 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000836127850 653332841 /nfs/dbraw/zinc/33/28/41/653332841.db2.gz QKHNZYWTVHXQTF-UHFFFAOYSA-N 1 0 383.290 2.082 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000874833399 653338757 /nfs/dbraw/zinc/33/87/57/653338757.db2.gz LHVKCINQVZDSLV-ZIAGYGMSSA-N 1 0 394.269 2.089 20 0 GEADRO Cn1nnc(Br)c1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000810464753 653340983 /nfs/dbraw/zinc/34/09/83/653340983.db2.gz GCFOKNPTPSHFJX-NSHDSACASA-N 1 0 386.681 2.264 20 0 GEADRO COC(=O)NCCC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857883632 653342060 /nfs/dbraw/zinc/34/20/60/653342060.db2.gz YCAWWANWFIOCBS-AWEZNQCLSA-N 1 0 398.301 2.405 20 0 GEADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)[C@@H]2COCCO2)C1 ZINC000857883462 653342373 /nfs/dbraw/zinc/34/23/73/653342373.db2.gz VKCYOPABYXMISV-HOCLYGCPSA-N 1 0 383.286 2.074 20 0 GEADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000857917503 653343250 /nfs/dbraw/zinc/34/32/50/653343250.db2.gz ZHTJHTCFUQMAOI-UHFFFAOYSA-N 1 0 396.310 2.092 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000874992747 653345305 /nfs/dbraw/zinc/34/53/05/653345305.db2.gz QVQFRCAXQBBCFV-IVMMDQJWSA-N 1 0 394.313 2.179 20 0 GEADRO Cn1cc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c(Br)n1 ZINC000858086980 653347316 /nfs/dbraw/zinc/34/73/16/653347316.db2.gz HNFGFUGAQQNWII-CYBMUJFWSA-N 1 0 385.331 2.407 20 0 GEADRO C[N@H+](CCCNC(=O)C(=O)NCc1ncc(Cl)s1)Cc1ccccc1 ZINC000875012068 653347450 /nfs/dbraw/zinc/34/74/50/653347450.db2.gz VVKLSKIUGOYJPY-UHFFFAOYSA-N 1 0 380.901 2.051 20 0 GEADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCSCCC(F)(F)F)CC1 ZINC000875023618 653347739 /nfs/dbraw/zinc/34/77/39/653347739.db2.gz HAVGONZKTQHVMT-UHFFFAOYSA-N 1 0 383.480 2.025 20 0 GEADRO Cn1cc(C[NH2+]CCN2CCN(c3ccccc3)CC2)c(Br)n1 ZINC000858092240 653347805 /nfs/dbraw/zinc/34/78/05/653347805.db2.gz ASLVMVIEQYTRII-UHFFFAOYSA-N 1 0 378.318 2.094 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000776495382 653351551 /nfs/dbraw/zinc/35/15/51/653351551.db2.gz ZGIMLOJTYRYHNX-UKRRQHHQSA-N 1 0 389.949 2.091 20 0 GEADRO COC[C@]1(C[NH2+]Cc2cn(C)nc2Br)OCCc2ccccc21 ZINC000858164899 653352125 /nfs/dbraw/zinc/35/21/25/653352125.db2.gz HROLGYPRYUGJGX-KRWDZBQOSA-N 1 0 380.286 2.387 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCCn2cc(Br)cn2)C1 ZINC000810733844 653355389 /nfs/dbraw/zinc/35/53/89/653355389.db2.gz UERQEIYMZUACKU-HNNXBMFYSA-N 1 0 375.286 2.364 20 0 GEADRO Cn1cc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c(Br)n1 ZINC000858238700 653356382 /nfs/dbraw/zinc/35/63/82/653356382.db2.gz LJVBFCFTYHGERV-UHFFFAOYSA-N 1 0 382.249 2.229 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000858244884 653356599 /nfs/dbraw/zinc/35/65/99/653356599.db2.gz JVQTXRNEMRQGAB-HUUCEWRRSA-N 1 0 388.965 2.026 20 0 GEADRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858357661 653361008 /nfs/dbraw/zinc/36/10/08/653361008.db2.gz IVKVCNYZYRPZLM-CQSZACIVSA-N 1 0 382.507 2.183 20 0 GEADRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000810848723 653361881 /nfs/dbraw/zinc/36/18/81/653361881.db2.gz WDTOWAUJNJTBGI-RBSFLKMASA-N 1 0 384.523 2.071 20 0 GEADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000858469103 653365105 /nfs/dbraw/zinc/36/51/05/653365105.db2.gz QBUHGPVETSERMU-WCQYABFASA-N 1 0 387.347 2.286 20 0 GEADRO Cc1c(Br)nccc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000836675403 653367796 /nfs/dbraw/zinc/36/77/96/653367796.db2.gz CLXVZVUFIQMRTK-GFCCVEGCSA-N 1 0 384.322 2.158 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)c(Cl)cc1Cl ZINC000858616869 653370614 /nfs/dbraw/zinc/37/06/14/653370614.db2.gz VLDMIHCOECPJIC-CYBMUJFWSA-N 1 0 395.308 2.399 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000858633021 653372375 /nfs/dbraw/zinc/37/23/75/653372375.db2.gz VGJAWMIXJSSAKW-SCZZXKLOSA-N 1 0 381.267 2.016 20 0 GEADRO Cc1cc(Br)nc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000836761058 653375082 /nfs/dbraw/zinc/37/50/82/653375082.db2.gz YVCMTAIIMIRARH-CYBMUJFWSA-N 1 0 384.322 2.158 20 0 GEADRO C[NH+]1CCC(NC(=S)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000776737486 653375199 /nfs/dbraw/zinc/37/51/99/653375199.db2.gz FXVNMYGDLVHNBW-OAHLLOKOSA-N 1 0 384.908 2.143 20 0 GEADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2ncc(Br)s2)CCCO1 ZINC000875534664 653375395 /nfs/dbraw/zinc/37/53/95/653375395.db2.gz NCOONNYEHWGXGO-NSHDSACASA-N 1 0 391.335 2.206 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000776801713 653378743 /nfs/dbraw/zinc/37/87/43/653378743.db2.gz YMIHNZNWWRZQOO-UHFFFAOYSA-N 1 0 385.848 2.116 20 0 GEADRO O=S(=O)(c1ccc(Br)nc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000858918513 653385039 /nfs/dbraw/zinc/38/50/39/653385039.db2.gz JOKYNENPQCVABN-NSHDSACASA-N 1 0 392.294 2.232 20 0 GEADRO CC[NH+](CC)CCN(C(=O)[C@@H]1COC(=O)N1)c1cccc(Br)c1 ZINC000858948273 653387312 /nfs/dbraw/zinc/38/73/12/653387312.db2.gz PQBHMNUCSNCWFV-AWEZNQCLSA-N 1 0 384.274 2.232 20 0 GEADRO Cc1cc(Br)c(CNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)s1 ZINC000875739502 653387347 /nfs/dbraw/zinc/38/73/47/653387347.db2.gz DJNHILOLEFMLBT-NSHDSACASA-N 1 0 390.347 2.463 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000777476372 653399488 /nfs/dbraw/zinc/39/94/88/653399488.db2.gz KTQBSLUZJUTXGZ-GFCCVEGCSA-N 1 0 380.505 2.095 20 0 GEADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000859089777 653403850 /nfs/dbraw/zinc/40/38/50/653403850.db2.gz BKAMXRBMHGKECJ-UHFFFAOYSA-N 1 0 392.294 2.232 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1cc(Cl)cc(Cl)c1F ZINC000876225754 653409907 /nfs/dbraw/zinc/40/99/07/653409907.db2.gz ZNPAARWIFNBOEI-UHFFFAOYSA-N 1 0 393.290 2.294 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2COc3cccc(Br)c3C2)C1 ZINC000876228867 653410850 /nfs/dbraw/zinc/41/08/50/653410850.db2.gz VTKZGWFHUFBCRR-STQMWFEESA-N 1 0 382.302 2.346 20 0 GEADRO COC[C@@H]1CC[N@H+](Cn2c3ccc(I)cc3oc2=O)C1 ZINC000777957563 653414285 /nfs/dbraw/zinc/41/42/85/653414285.db2.gz SENHTZUDYVVFMR-SNVBAGLBSA-N 1 0 388.205 2.125 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000811969836 653414294 /nfs/dbraw/zinc/41/42/94/653414294.db2.gz LMFQCLAHDXXSHO-LBPRGKRZSA-N 1 0 395.305 2.275 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)nc1F ZINC000859158141 653414677 /nfs/dbraw/zinc/41/46/77/653414677.db2.gz BEQSRFFPFBODKA-MNOVXSKESA-N 1 0 392.294 2.231 20 0 GEADRO CC[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOC)CC1 ZINC000812152089 653416902 /nfs/dbraw/zinc/41/69/02/653416902.db2.gz NDVJGMUAVIDBQG-UHFFFAOYSA-N 1 0 397.321 2.214 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859183734 653418837 /nfs/dbraw/zinc/41/88/37/653418837.db2.gz ODVVBUVWLKJHOZ-UHFFFAOYSA-N 1 0 379.258 2.077 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CC[NH+](CCCCO)CC1 ZINC000859199060 653422141 /nfs/dbraw/zinc/42/21/41/653422141.db2.gz KKGYQVADLHMPGP-QGZVFWFLSA-N 1 0 396.329 2.093 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)nc1Cl ZINC000778098665 653427269 /nfs/dbraw/zinc/42/72/69/653427269.db2.gz DZCXJYFVJXYGEC-KRWDZBQOSA-N 1 0 382.917 2.407 20 0 GEADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1sc(C)cc1OC(F)F ZINC000876473051 653431112 /nfs/dbraw/zinc/43/11/12/653431112.db2.gz PRPZHFZDJHOWQJ-INIZCTEOSA-N 1 0 378.441 2.077 20 0 GEADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000876556875 653435000 /nfs/dbraw/zinc/43/50/00/653435000.db2.gz WUCQOONXGMDMLZ-WKSPHBBESA-N 1 0 380.286 2.258 20 0 GEADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000778224462 653435034 /nfs/dbraw/zinc/43/50/34/653435034.db2.gz VPJAPOHAOOMTQR-LBPRGKRZSA-N 1 0 389.543 2.034 20 0 GEADRO COC[C@@]1(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)C[NH2+]CCO1 ZINC000876562042 653436068 /nfs/dbraw/zinc/43/60/68/653436068.db2.gz NPTPIAWKSJXCEC-QGZVFWFLSA-N 1 0 379.507 2.476 20 0 GEADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCC(=O)Nc1ccc(Br)cc1 ZINC000876606678 653437628 /nfs/dbraw/zinc/43/76/28/653437628.db2.gz IWGVXVJUPHJFFM-UTPRNQHHSA-N 1 0 380.286 2.450 20 0 GEADRO Cn1ncc(C[NH3+])c1C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000876614851 653438086 /nfs/dbraw/zinc/43/80/86/653438086.db2.gz QLXHEOMFKWQSCT-UHFFFAOYSA-N 1 0 377.286 2.493 20 0 GEADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1(F)F ZINC000876611562 653438125 /nfs/dbraw/zinc/43/81/25/653438125.db2.gz JPUHKCSEMZDJCI-NOZJJQNGSA-N 1 0 392.233 2.118 20 0 GEADRO CC[C@@H]1[C@@H](NS(=O)(=O)CC[NH+](CC)CC)CCN1C(=O)OC(C)(C)C ZINC000859310057 653439102 /nfs/dbraw/zinc/43/91/02/653439102.db2.gz HUOWQUKKUPCXRD-LSDHHAIUSA-N 1 0 377.551 2.036 20 0 GEADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCCNC(=O)c1cccc(Br)c1 ZINC000876635058 653439714 /nfs/dbraw/zinc/43/97/14/653439714.db2.gz KRNUZBZMQAOLFH-HSBSLETESA-N 1 0 394.313 2.241 20 0 GEADRO COc1cc(Br)c(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1OC ZINC000876642443 653440619 /nfs/dbraw/zinc/44/06/19/653440619.db2.gz AYWVVIIOAJWEOP-LKFCYVNXSA-N 1 0 375.238 2.030 20 0 GEADRO O=C(C=C[C@@H]1CCC[NH2+]C1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000876640674 653440798 /nfs/dbraw/zinc/44/07/98/653440798.db2.gz BIFKAWVRBJEJHT-KJPDOOANSA-N 1 0 390.285 2.406 20 0 GEADRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1c(F)ccc(S(N)(=O)=O)c1F ZINC000837481185 653442291 /nfs/dbraw/zinc/44/22/91/653442291.db2.gz UJRFQSROBNHVCG-LLVKDONJSA-N 1 0 376.425 2.032 20 0 GEADRO C[NH+](C)C[C@H](N)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000876698958 653442991 /nfs/dbraw/zinc/44/29/91/653442991.db2.gz YJOWOKMFRIWUPD-HNNXBMFYSA-N 1 0 380.901 2.159 20 0 GEADRO CN(C(=O)c1cc(Br)cnc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000859333321 653443198 /nfs/dbraw/zinc/44/31/98/653443198.db2.gz LICVVACJCCXASA-AWEZNQCLSA-N 1 0 399.308 2.224 20 0 GEADRO COc1cc(CN2CC[NH+](CCCCO)CC2)c(F)cc1Br ZINC000876725178 653443943 /nfs/dbraw/zinc/44/39/43/653443943.db2.gz NZBGMVNNKQOUSK-UHFFFAOYSA-N 1 0 375.282 2.487 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+]C3CCS(=O)(=O)CC3)nc12 ZINC000812842427 653444415 /nfs/dbraw/zinc/44/44/15/653444415.db2.gz WPBBWCPDOHNNMC-UHFFFAOYSA-N 1 0 386.315 2.115 20 0 GEADRO COC(=O)c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000876785300 653447965 /nfs/dbraw/zinc/44/79/65/653447965.db2.gz UKVUUZTUNTYUIJ-HNNXBMFYSA-N 1 0 397.313 2.390 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Br)s2)CCO1 ZINC000876807724 653449147 /nfs/dbraw/zinc/44/91/47/653449147.db2.gz JARGLFWMAFTBLG-SNVBAGLBSA-N 1 0 382.283 2.372 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000859363771 653450682 /nfs/dbraw/zinc/45/06/82/653450682.db2.gz VQDDVJHKRWGKKI-UHFFFAOYSA-N 1 0 387.311 2.106 20 0 GEADRO COC[C@]1(C(=O)N(C)Cc2ccc(Br)cc2Cl)C[NH2+]CCO1 ZINC000876898662 653453032 /nfs/dbraw/zinc/45/30/32/653453032.db2.gz OXBFXNRGPQHOQN-HNNXBMFYSA-N 1 0 391.693 2.066 20 0 GEADRO [NH3+]CCC[C@@H](NC(=O)Cn1ccc(Br)cc1=O)c1ccccc1 ZINC000876914963 653453890 /nfs/dbraw/zinc/45/38/90/653453890.db2.gz JNFXTXVJYIQKOK-OAHLLOKOSA-N 1 0 378.270 2.207 20 0 GEADRO Cn1nc(I)cc1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000876915568 653453960 /nfs/dbraw/zinc/45/39/60/653453960.db2.gz VMGYEWWRXIIDGE-GFCCVEGCSA-N 1 0 398.248 2.235 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000876986246 653457834 /nfs/dbraw/zinc/45/78/34/653457834.db2.gz ACRLUZNFOYEDGV-UHFFFAOYSA-N 1 0 389.315 2.110 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000877022194 653460912 /nfs/dbraw/zinc/46/09/12/653460912.db2.gz JDKWTRVKQFLQKB-JKSUJKDBSA-N 1 0 387.933 2.239 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]Cc2nc3ccccc3o2)CC1)C(F)(F)F ZINC000877029135 653461424 /nfs/dbraw/zinc/46/14/24/653461424.db2.gz SQTDGGWDURFFBJ-UHFFFAOYSA-N 1 0 377.388 2.479 20 0 GEADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877031372 653462077 /nfs/dbraw/zinc/46/20/77/653462077.db2.gz VOXYBWFZVXXKHE-UHFFFAOYSA-N 1 0 388.921 2.403 20 0 GEADRO Cn1c(C(=O)NC[C@H]2COCC[NH2+]2)ccc1-c1ccccc1Br ZINC000877041990 653462655 /nfs/dbraw/zinc/46/26/55/653462655.db2.gz QROKMAILRQUDHO-LBPRGKRZSA-N 1 0 378.270 2.173 20 0 GEADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(C)(C)C[NH+](CC)CC ZINC000813150993 653464662 /nfs/dbraw/zinc/46/46/62/653464662.db2.gz SGGRAILTEDOLKO-MRXNPFEDSA-N 1 0 376.563 2.492 20 0 GEADRO NS(=O)(=O)c1cccc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)c1 ZINC000877081468 653464992 /nfs/dbraw/zinc/46/49/92/653464992.db2.gz CAMOVMGXXOZYGC-UHFFFAOYSA-N 1 0 379.448 2.088 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000779102315 653466602 /nfs/dbraw/zinc/46/66/02/653466602.db2.gz JPFJVXFCEPVFRL-LSDHHAIUSA-N 1 0 391.331 2.198 20 0 GEADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877125662 653467445 /nfs/dbraw/zinc/46/74/45/653467445.db2.gz RUIDBLARQPRBNL-JKSUJKDBSA-N 1 0 391.269 2.066 20 0 GEADRO [NH3+][C@H]1CCCCCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000877126794 653467747 /nfs/dbraw/zinc/46/77/47/653467747.db2.gz SSXPRDPRNKVJOX-LBPRGKRZSA-N 1 0 398.248 2.282 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877131213 653468307 /nfs/dbraw/zinc/46/83/07/653468307.db2.gz WNKXYAHBPXPXQR-RIEGTJTDSA-N 1 0 379.259 2.139 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)ccc1Cl ZINC000877158996 653468911 /nfs/dbraw/zinc/46/89/11/653468911.db2.gz QCLADTKMCVJWNN-HNNXBMFYSA-N 1 0 380.897 2.433 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000877173710 653470303 /nfs/dbraw/zinc/47/03/03/653470303.db2.gz IQQGPTUVILZWIS-STQMWFEESA-N 1 0 385.917 2.076 20 0 GEADRO C[S@@](=O)C1(C(=O)Nc2nc(COc3ccccc3)cs2)CC[NH2+]CC1 ZINC000877203528 653471944 /nfs/dbraw/zinc/47/19/44/653471944.db2.gz FMUUMSLFHFBZBZ-RUZDIDTESA-N 1 0 379.507 2.161 20 0 GEADRO CC(=O)N[C@H](C(=O)NC1(C[NH3+])CCCCC1)c1cccc(Br)c1 ZINC000877205403 653472273 /nfs/dbraw/zinc/47/22/73/653472273.db2.gz GWKFCPMZMMSLBB-HNNXBMFYSA-N 1 0 382.302 2.404 20 0 GEADRO COc1cc(Br)ccc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000877204753 653472322 /nfs/dbraw/zinc/47/23/22/653472322.db2.gz NFFYYSYPHRLDAA-UHFFFAOYSA-N 1 0 380.246 2.226 20 0 GEADRO [NH3+]CCc1nc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cs1 ZINC000877260642 653473188 /nfs/dbraw/zinc/47/31/88/653473188.db2.gz CHOACRNPLMLSEO-BYCMXARLSA-N 1 0 378.295 2.475 20 0 GEADRO [NH3+]CCc1nc(C(=O)N[C@H]2COc3cccc(Br)c3C2)cs1 ZINC000877259621 653473194 /nfs/dbraw/zinc/47/31/94/653473194.db2.gz UFEFIYPADWWEFZ-SECBINFHSA-N 1 0 382.283 2.140 20 0 GEADRO CCOC(=O)c1sc(C2CCN(C(=O)[C@H]([NH3+])CCSC)CC2)nc1C ZINC000877261455 653473657 /nfs/dbraw/zinc/47/36/57/653473657.db2.gz KXNLNAJROIGKBY-CYBMUJFWSA-N 1 0 385.555 2.415 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859556123 653474447 /nfs/dbraw/zinc/47/44/47/653474447.db2.gz FWNIIPIDTAVIRN-IAQYHMDHSA-N 1 0 393.285 2.322 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877283476 653474544 /nfs/dbraw/zinc/47/45/44/653474544.db2.gz PWTMKRNPSLCHNQ-STQMWFEESA-N 1 0 376.507 2.352 20 0 GEADRO O=C(COc1cccc(I)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877279624 653474593 /nfs/dbraw/zinc/47/45/93/653474593.db2.gz YXPKINYWLFQLFC-KGLIPLIRSA-N 1 0 386.233 2.023 20 0 GEADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285224 653475036 /nfs/dbraw/zinc/47/50/36/653475036.db2.gz RTVIRAATBIKPPD-BJJXKVORSA-N 1 0 392.297 2.155 20 0 GEADRO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284844 653475086 /nfs/dbraw/zinc/47/50/86/653475086.db2.gz PGQGBDYKNIQYDW-NOLJZWGESA-N 1 0 392.297 2.155 20 0 GEADRO CCN1C[C@H](C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)OC1=O ZINC000859574820 653475263 /nfs/dbraw/zinc/47/52/63/653475263.db2.gz SAMKKZNABXLIFX-RDJZCZTQSA-N 1 0 383.286 2.099 20 0 GEADRO COC(=O)[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000877304514 653475416 /nfs/dbraw/zinc/47/54/16/653475416.db2.gz ZXUNALXMELFWJJ-JSGCOSHPSA-N 1 0 376.400 2.131 20 0 GEADRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000877292326 653475592 /nfs/dbraw/zinc/47/55/92/653475592.db2.gz IMHCXGAAHWDHQI-HDJSIYSDSA-N 1 0 385.917 2.124 20 0 GEADRO NC(=O)C[C@H]([NH2+]Cc1nc(Cl)ccc1Br)C1CCOCC1 ZINC000877326297 653476217 /nfs/dbraw/zinc/47/62/17/653476217.db2.gz WDUTYAOAXWZXFJ-NSHDSACASA-N 1 0 376.682 2.258 20 0 GEADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1COc2ccc(Br)cc21 ZINC000877329217 653476665 /nfs/dbraw/zinc/47/66/65/653476665.db2.gz PGNMXIZNVXNQAY-DZGCQCFKSA-N 1 0 395.297 2.200 20 0 GEADRO Cc1cc(Br)cn2cc(C[NH2+]CC3CCS(=O)(=O)CC3)nc12 ZINC000877346222 653477338 /nfs/dbraw/zinc/47/73/38/653477338.db2.gz JAKQQEOOJWZFEO-UHFFFAOYSA-N 1 0 386.315 2.320 20 0 GEADRO O=C(CCOc1cccc(Br)c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877335971 653477564 /nfs/dbraw/zinc/47/75/64/653477564.db2.gz GVPOLAKYBSLKFI-INIZCTEOSA-N 1 0 397.313 2.493 20 0 GEADRO CCCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877366408 653478919 /nfs/dbraw/zinc/47/89/19/653478919.db2.gz IXLMCXAYHMZOEX-DGCLKSJQSA-N 1 0 378.416 2.080 20 0 GEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000779511623 653478938 /nfs/dbraw/zinc/47/89/38/653478938.db2.gz UFGPAJLHYCQBJT-RDJZCZTQSA-N 1 0 386.323 2.459 20 0 GEADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000779511908 653479066 /nfs/dbraw/zinc/47/90/66/653479066.db2.gz UFGPAJLHYCQBJT-WBVHZDCISA-N 1 0 386.323 2.459 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000877367046 653479521 /nfs/dbraw/zinc/47/95/21/653479521.db2.gz MLTCAEBDAMEDRT-ZJUUUORDSA-N 1 0 398.212 2.319 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)C2 ZINC000877376076 653479789 /nfs/dbraw/zinc/47/97/89/653479789.db2.gz AQVINSMGKXVULQ-IWBYOKNISA-N 1 0 399.354 2.405 20 0 GEADRO CN(CCOCC[NH3+])C(=O)Nc1cnc(Br)c(Br)c1 ZINC000859659358 653480056 /nfs/dbraw/zinc/48/00/56/653480056.db2.gz FHLURZFZBPZTBF-UHFFFAOYSA-N 1 0 396.083 2.046 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000813451223 653485406 /nfs/dbraw/zinc/48/54/06/653485406.db2.gz JYNVVTRXOJAUGO-LLVKDONJSA-N 1 0 389.725 2.253 20 0 GEADRO COc1ccc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c(I)c1 ZINC000877395303 653497053 /nfs/dbraw/zinc/49/70/53/653497053.db2.gz XDSKEHOXZQMMSX-DZGCQCFKSA-N 1 0 386.233 2.314 20 0 GEADRO [NH3+][C@H](C[C@H]1CCCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000877448182 653517015 /nfs/dbraw/zinc/51/70/15/653517015.db2.gz OYZZMVMXKDDHBU-DJIMGWMZSA-N 1 0 388.599 2.053 20 0 GEADRO Cn1nc(Cl)c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1Cl ZINC000859773412 653527806 /nfs/dbraw/zinc/52/78/06/653527806.db2.gz CCHQMZLLIWTLCU-UHFFFAOYSA-N 1 0 375.300 2.444 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000838135000 653610785 /nfs/dbraw/zinc/61/07/85/653610785.db2.gz FFKYYOFPCUOSHJ-CYBMUJFWSA-N 1 0 387.933 2.052 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000838136161 653610868 /nfs/dbraw/zinc/61/08/68/653610868.db2.gz CUTYTKHBQUNXFW-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877537999 653611392 /nfs/dbraw/zinc/61/13/92/653611392.db2.gz SAINYADRPPROHH-DZGCQCFKSA-N 1 0 375.226 2.076 20 0 GEADRO CC[C@@](C)(C[NH+]1CCC(n2nncc2I)CC1)OC ZINC000877631844 653615044 /nfs/dbraw/zinc/61/50/44/653615044.db2.gz WAZWDIVXHDZOMV-ZDUSSCGKSA-N 1 0 378.258 2.335 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860012207 653615091 /nfs/dbraw/zinc/61/50/91/653615091.db2.gz QHLAIZVJKJSKTN-ZUZCIYMTSA-N 1 0 391.269 2.122 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C1CC(C(=O)OC)C1 ZINC000877721895 653617720 /nfs/dbraw/zinc/61/77/20/653617720.db2.gz FFQHJWCMFXSXBQ-IFQILLTASA-N 1 0 399.285 2.004 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000877726383 653618021 /nfs/dbraw/zinc/61/80/21/653618021.db2.gz KCCTWZXMRZVGLF-MEBBXXQBSA-N 1 0 385.251 2.242 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000877725941 653618031 /nfs/dbraw/zinc/61/80/31/653618031.db2.gz BSVDBTCCNHFYQR-HWWQOWPSSA-N 1 0 399.285 2.334 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000877725942 653618086 /nfs/dbraw/zinc/61/80/86/653618086.db2.gz BSVDBTCCNHFYQR-XHBSWPGZSA-N 1 0 399.285 2.334 20 0 GEADRO COc1ncc(Br)cc1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000877746980 653618250 /nfs/dbraw/zinc/61/82/50/653618250.db2.gz PZNNNVRWHLBKKL-UHFFFAOYSA-N 1 0 383.334 2.065 20 0 GEADRO COC(=O)c1ccc(C[NH+]2CCC3(CCNC3=O)CC2)c(Br)c1 ZINC000877782535 653619930 /nfs/dbraw/zinc/61/99/30/653619930.db2.gz COMGDONXIFPRPW-UHFFFAOYSA-N 1 0 381.270 2.338 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000860193454 653620669 /nfs/dbraw/zinc/62/06/69/653620669.db2.gz LSKOCVPMEXBHDF-CYBMUJFWSA-N 1 0 378.416 2.193 20 0 GEADRO C[NH+](C)CCCNC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000877950928 653624278 /nfs/dbraw/zinc/62/42/78/653624278.db2.gz OLZIHNSLLMFKNH-UHFFFAOYSA-N 1 0 386.681 2.365 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cn1c(=O)oc2cc(Br)ccc21 ZINC000780480365 653626435 /nfs/dbraw/zinc/62/64/35/653626435.db2.gz KYRNZQFYTAZFSF-LBPRGKRZSA-N 1 0 398.301 2.092 20 0 GEADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000780510180 653626912 /nfs/dbraw/zinc/62/69/12/653626912.db2.gz JBOMXQWQASQXNG-UHFFFAOYSA-N 1 0 376.507 2.347 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000838671181 653628165 /nfs/dbraw/zinc/62/81/65/653628165.db2.gz QEUCGEYIIVUSKX-HOCLYGCPSA-N 1 0 377.360 2.382 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(Cl)c4nonc43)C2)CC1 ZINC000814388330 653629346 /nfs/dbraw/zinc/62/93/46/653629346.db2.gz FMAKKLXVRDYASL-LBPRGKRZSA-N 1 0 384.889 2.229 20 0 GEADRO CC(C)(C)n1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)n1 ZINC000780634469 653630223 /nfs/dbraw/zinc/63/02/23/653630223.db2.gz OWHHJDIZMWOAJO-CYBMUJFWSA-N 1 0 399.333 2.384 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCc2ccccc2Br)C1 ZINC000878210014 653631553 /nfs/dbraw/zinc/63/15/53/653631553.db2.gz JQCVXLIFLXNIRL-ZDUSSCGKSA-N 1 0 375.332 2.253 20 0 GEADRO C[C@H](Sc1nc(CC(=O)Nc2cccc(C[NH+](C)C)c2)cs1)C(N)=O ZINC000878208520 653631585 /nfs/dbraw/zinc/63/15/85/653631585.db2.gz RWBQEFWWQPFZQD-NSHDSACASA-N 1 0 378.523 2.352 20 0 GEADRO OCCCC[NH+]1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878259206 653632841 /nfs/dbraw/zinc/63/28/41/653632841.db2.gz BPEFYEUFICPZMB-MRXNPFEDSA-N 1 0 377.312 2.123 20 0 GEADRO OCCCC[NH+]1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878259205 653632893 /nfs/dbraw/zinc/63/28/93/653632893.db2.gz BPEFYEUFICPZMB-INIZCTEOSA-N 1 0 377.312 2.123 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)cc1Cl ZINC000780865858 653634235 /nfs/dbraw/zinc/63/42/35/653634235.db2.gz LYOIADZYTYCZAE-JTQLQIEISA-N 1 0 377.869 2.200 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc2c(c1)CC(=O)N2C ZINC000878361957 653635846 /nfs/dbraw/zinc/63/58/46/653635846.db2.gz ZMMMEFKPZYZRKY-RNCFNFMXSA-N 1 0 380.242 2.340 20 0 GEADRO CCOC(=O)CC(C)(C)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000838943454 653636450 /nfs/dbraw/zinc/63/64/50/653636450.db2.gz OVSBUPDSQYLVAA-UHFFFAOYSA-N 1 0 388.452 2.117 20 0 GEADRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)C1 ZINC000878458767 653638053 /nfs/dbraw/zinc/63/80/53/653638053.db2.gz VVUBUJYULNLDOO-SRVKXCTJSA-N 1 0 390.278 2.317 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000860827394 653638516 /nfs/dbraw/zinc/63/85/16/653638516.db2.gz ZGYKHXQCGJLNGD-RHSMWYFYSA-N 1 0 375.296 2.236 20 0 GEADRO Cc1ccc([C@H](CNC(=O)Cc2c(Br)cnn2C)[NH+](C)C)cc1 ZINC000878484097 653638679 /nfs/dbraw/zinc/63/86/79/653638679.db2.gz JSBPGYDTKBXTDT-INIZCTEOSA-N 1 0 379.302 2.453 20 0 GEADRO O[C@@]1(CN2CCn3c(Br)cnc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000878512777 653639418 /nfs/dbraw/zinc/63/94/18/653639418.db2.gz YTCWXRMBWKYHLR-SFHVURJKSA-N 1 0 391.313 2.098 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000814852919 653640270 /nfs/dbraw/zinc/64/02/70/653640270.db2.gz UQKHJAXSNOOVMD-CYBMUJFWSA-N 1 0 386.949 2.159 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc(C=O)c1 ZINC000860915458 653640552 /nfs/dbraw/zinc/64/05/52/653640552.db2.gz FQGOQATVJXEJMO-CYBMUJFWSA-N 1 0 382.302 2.017 20 0 GEADRO OC[C@]1([N@@H+](Cc2ccccc2)C[C@@H](O)c2cc(Br)no2)CCOC1 ZINC000878552985 653640906 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CC(C)(CO)[NH+]1CCN(C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000815069691 653649649 /nfs/dbraw/zinc/64/96/49/653649649.db2.gz KDVHYYVARFHEJF-QGZVFWFLSA-N 1 0 389.309 2.184 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839456122 653649971 /nfs/dbraw/zinc/64/99/71/653649971.db2.gz UZIPDHVYPVIRLW-UHFFFAOYSA-N 1 0 378.420 2.480 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccc(Cl)cc1 ZINC000878873215 653650084 /nfs/dbraw/zinc/65/00/84/653650084.db2.gz IZMOYPSKKJIWHR-DLBZAZTESA-N 1 0 387.929 2.414 20 0 GEADRO O[C@H](C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)CC1(O)CCCC1 ZINC000878876574 653650293 /nfs/dbraw/zinc/65/02/93/653650293.db2.gz OHMYCFILXHJMSL-GJZGRUSLSA-N 1 0 385.302 2.353 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)cc(F)c1Br ZINC000839490458 653651729 /nfs/dbraw/zinc/65/17/29/653651729.db2.gz IGAPVEDAIHOKEF-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000878928892 653652207 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GEADRO NC(=O)[C@H](F)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000879045815 653656539 /nfs/dbraw/zinc/65/65/39/653656539.db2.gz ZKBWYMAVFHJGFK-OAHLLOKOSA-N 1 0 386.265 2.313 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccncc1Br ZINC000879072850 653657971 /nfs/dbraw/zinc/65/79/71/653657971.db2.gz ICTBDCVPNGCBND-UHFFFAOYSA-N 1 0 385.306 2.088 20 0 GEADRO CC[C@H](Sc1nc(CC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cs1)C(N)=O ZINC000879090743 653658374 /nfs/dbraw/zinc/65/83/74/653658374.db2.gz AZGRLDUAMSHACV-BNOWGMLFSA-N 1 0 384.571 2.031 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cnn(C)c1I ZINC000815509998 653660070 /nfs/dbraw/zinc/66/00/70/653660070.db2.gz GCRJHXCGJOWFBO-GHMZBOCLSA-N 1 0 390.269 2.017 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc3ccccc3nc2Br)C[NH2+]1 ZINC000861525002 653660667 /nfs/dbraw/zinc/66/06/67/653660667.db2.gz KWTKWQPVLLXNGC-CMPLNLGQSA-N 1 0 391.269 2.193 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000861542449 653661120 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[NH3+]CCN(CCO)C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000861680152 653664596 /nfs/dbraw/zinc/66/45/96/653664596.db2.gz ZPOYSLLNEPOZHL-ZDUSSCGKSA-N 1 0 388.331 2.339 20 0 GEADRO O=C(c1cc2c(ccc(F)c2Br)[nH]1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861716628 653665288 /nfs/dbraw/zinc/66/52/88/653665288.db2.gz SHQVFQUDRIRXSL-MNOVXSKESA-N 1 0 396.260 2.351 20 0 GEADRO O=C(c1nc(Br)sc1C1CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861716209 653665477 /nfs/dbraw/zinc/66/54/77/653665477.db2.gz TXNKGQYFSSDFQZ-QWRGUYRKSA-N 1 0 386.315 2.064 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000879313664 653665549 /nfs/dbraw/zinc/66/55/49/653665549.db2.gz LESZKVQRFCZMIY-RHSMWYFYSA-N 1 0 377.286 2.287 20 0 GEADRO C[N@H+](CCNC(=O)Nc1cccc(Cl)c1Br)CCOCCO ZINC000879366589 653667061 /nfs/dbraw/zinc/66/70/61/653667061.db2.gz MZWJYMBLJYLZKF-UHFFFAOYSA-N 1 0 394.697 2.165 20 0 GEADRO CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CC[NH+](C)CC1 ZINC000861893951 653669928 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O[C@@H]1CCC[C@@H]1[C@H]1CCCCN1Cn1nc(N2CCOCC2)sc1=S ZINC000840115728 653675002 /nfs/dbraw/zinc/67/50/02/653675002.db2.gz NIXXAQBMNIYCES-RBSFLKMASA-N 1 0 384.571 2.484 20 0 GEADRO COC(=O)c1c2cnn(CN3C[C@@H]4CC[N@H+](C)[C@@H]4C3)c2ccc1Br ZINC000840132618 653675827 /nfs/dbraw/zinc/67/58/27/653675827.db2.gz NQLRKJDZPPGCEU-XHDPSFHLSA-N 1 0 393.285 2.179 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(Cn3nnn(-c4ccc(Br)cc4)c3=S)C[C@@H]21 ZINC000840134660 653676038 /nfs/dbraw/zinc/67/60/38/653676038.db2.gz ZKSIUOSWUQDBAN-RISCZKNCSA-N 1 0 395.330 2.154 20 0 GEADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cc(Br)nn2C)CC1 ZINC000879644053 653676595 /nfs/dbraw/zinc/67/65/95/653676595.db2.gz ZDKLQJBGPZAWID-UHFFFAOYSA-N 1 0 388.310 2.194 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cnc1Br ZINC000783298705 653677147 /nfs/dbraw/zinc/67/71/47/653677147.db2.gz UHQQZUGNHFZDFG-CHWSQXEVSA-N 1 0 397.317 2.470 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000862188301 653678453 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CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000816616906 653688878 /nfs/dbraw/zinc/68/88/78/653688878.db2.gz JEVGVUCFUXTIDP-LJISPDSOSA-N 1 0 378.510 2.279 20 0 GEADRO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000879962871 653690047 /nfs/dbraw/zinc/69/00/47/653690047.db2.gz WKDGEXRPWYJHTA-LBPRGKRZSA-N 1 0 380.286 2.440 20 0 GEADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880010104 653691914 /nfs/dbraw/zinc/69/19/14/653691914.db2.gz UOKHKMQHDZIMQE-LIOBOASVSA-N 1 0 381.523 2.221 20 0 GEADRO COC(=O)C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000784346090 653692326 /nfs/dbraw/zinc/69/23/26/653692326.db2.gz GQFWZQKTEQYPEJ-DZGCQCFKSA-N 1 0 390.249 2.259 20 0 GEADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000784341908 653692366 /nfs/dbraw/zinc/69/23/66/653692366.db2.gz MDIOECKHLXMRQV-CQSZACIVSA-N 1 0 399.264 2.326 20 0 GEADRO Cc1sc(Cl)nc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000816744868 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C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C(N)=O)CC[C@@H](C(F)(F)F)O1 ZINC000880058155 653695806 /nfs/dbraw/zinc/69/58/06/653695806.db2.gz HRRCROGYHWOUAQ-KOLCDFICSA-N 1 0 379.404 2.217 20 0 GEADRO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C(N)=O)CC[C@H](C(F)(F)F)O1 ZINC000880058157 653695836 /nfs/dbraw/zinc/69/58/36/653695836.db2.gz HRRCROGYHWOUAQ-MWLCHTKSSA-N 1 0 379.404 2.217 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)cn1 ZINC000816930967 653696390 /nfs/dbraw/zinc/69/63/90/653696390.db2.gz KKLAHXCSBXIZQI-ZDUSSCGKSA-N 1 0 385.917 2.229 20 0 GEADRO C[C@H](NC(=S)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cccs1 ZINC000840852476 653696556 /nfs/dbraw/zinc/69/65/56/653696556.db2.gz JDZJBQPCNJPOHH-HNNXBMFYSA-N 1 0 382.599 2.070 20 0 GEADRO C[C@H](CCO)[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000784557771 653696904 /nfs/dbraw/zinc/69/69/04/653696904.db2.gz LNTIUOKRDWFOIE-LLVKDONJSA-N 1 0 396.372 2.446 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(Cl)c3I)[C@@H]2C1 ZINC000816950797 653697052 /nfs/dbraw/zinc/69/70/52/653697052.db2.gz AEBYNJUCXVKILA-WCBMZHEXSA-N 1 0 391.640 2.116 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1cccc(I)c1 ZINC000880135308 653699013 /nfs/dbraw/zinc/69/90/13/653699013.db2.gz TWLLABDVOBQCJR-GJZGRUSLSA-N 1 0 399.276 2.398 20 0 GEADRO CC(C)(O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000880148399 653699290 /nfs/dbraw/zinc/69/92/90/653699290.db2.gz WHQIGILGWKPARY-BXUZGUMPSA-N 1 0 376.266 2.421 20 0 GEADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880218786 653700861 /nfs/dbraw/zinc/70/08/61/653700861.db2.gz QJCSSEPRFAEVKC-XBXGTLAGSA-N 1 0 395.219 2.409 20 0 GEADRO CC[C@H]([NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)[C@H](O)C(C)C ZINC000840967393 653704109 /nfs/dbraw/zinc/70/41/09/653704109.db2.gz MISCNEYVXGFMTD-AEGPPILISA-N 1 0 377.938 2.090 20 0 GEADRO C[NH+]1CCC(NC(=S)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000863226202 653704301 /nfs/dbraw/zinc/70/43/01/653704301.db2.gz VBXBRZBHTCWGLA-AWEZNQCLSA-N 1 0 384.908 2.143 20 0 GEADRO CCOc1cc(-c2noc(C[C@@H]3COCC[NH2+]3)n2)cc(Br)c1O ZINC000840993636 653704671 /nfs/dbraw/zinc/70/46/71/653704671.db2.gz HRXKXKNDNPYPTK-SNVBAGLBSA-N 1 0 384.230 2.134 20 0 GEADRO C[C@@H](NC(=O)CN(CC(N)=O)C1CCOCC1)c1ccc(Cl)cc1Cl ZINC000880394655 653705213 /nfs/dbraw/zinc/70/52/13/653705213.db2.gz MOZCCRZKJXVVNA-LLVKDONJSA-N 1 0 388.295 2.137 20 0 GEADRO CN(CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)CC1(C)COC1 ZINC000863298859 653705851 /nfs/dbraw/zinc/70/58/51/653705851.db2.gz PUNBKSDKVRZCFR-KRWDZBQOSA-N 1 0 396.285 2.142 20 0 GEADRO CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000880433459 653706011 /nfs/dbraw/zinc/70/60/11/653706011.db2.gz XDZUDBJTNDINJI-NUEKZKHPSA-N 1 0 392.265 2.064 20 0 GEADRO CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000880430244 653706029 /nfs/dbraw/zinc/70/60/29/653706029.db2.gz RIXZMVHZWYGXMH-GJZGRUSLSA-N 1 0 375.296 2.388 20 0 GEADRO CC[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCCOC1 ZINC000880467911 653706615 /nfs/dbraw/zinc/70/66/15/653706615.db2.gz LNQZXUPYEXPVES-DOMZBBRYSA-N 1 0 388.917 2.477 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000841131493 653707104 /nfs/dbraw/zinc/70/71/04/653707104.db2.gz IUAPBWONZSRIGJ-AWEZNQCLSA-N 1 0 391.921 2.258 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000841133442 653707259 /nfs/dbraw/zinc/70/72/59/653707259.db2.gz NQWFVHDCNIABDN-CYBMUJFWSA-N 1 0 391.921 2.258 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21)Nc1ccccc1Br ZINC000880529677 653707644 /nfs/dbraw/zinc/70/76/44/653707644.db2.gz MTRPCAAFCJCZAA-LRDDRELGSA-N 1 0 380.286 2.378 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000841155652 653708235 /nfs/dbraw/zinc/70/82/35/653708235.db2.gz VOCCQRMYOLAUKB-UHFFFAOYSA-N 1 0 383.290 2.259 20 0 GEADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cc(Br)nn3C)cn2)CCO1 ZINC000785417228 653708855 /nfs/dbraw/zinc/70/88/55/653708855.db2.gz AZPSITSBEMOAPO-GFCCVEGCSA-N 1 0 380.290 2.093 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000785413011 653708872 /nfs/dbraw/zinc/70/88/72/653708872.db2.gz MYOMOECKAUINRO-UHFFFAOYSA-N 1 0 379.302 2.305 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000785412783 653708880 /nfs/dbraw/zinc/70/88/80/653708880.db2.gz JIAPNGAUAQJRGC-ZDUSSCGKSA-N 1 0 385.331 2.407 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000841171586 653708897 /nfs/dbraw/zinc/70/88/97/653708897.db2.gz SNGDJRPEXPTIEH-LBPRGKRZSA-N 1 0 398.305 2.004 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c(Br)n1 ZINC000841175297 653709129 /nfs/dbraw/zinc/70/91/29/653709129.db2.gz DQPMXKHXJMJFOP-CYBMUJFWSA-N 1 0 383.290 2.115 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000785425917 653709165 /nfs/dbraw/zinc/70/91/65/653709165.db2.gz IKXOUUSNOHCCNC-UHFFFAOYSA-N 1 0 379.302 2.305 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000841182491 653709509 /nfs/dbraw/zinc/70/95/09/653709509.db2.gz NURGXFIGNJRZNG-DTWKUNHWSA-N 1 0 389.681 2.022 20 0 GEADRO Cn1nc(Br)cc1CNc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000785484441 653710051 /nfs/dbraw/zinc/71/00/51/653710051.db2.gz IADYHDBIDMKJFK-HNNXBMFYSA-N 1 0 392.301 2.244 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841212946 653710619 /nfs/dbraw/zinc/71/06/19/653710619.db2.gz IEHORRGUQFKMTG-NXEZZACHSA-N 1 0 376.309 2.374 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]C[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000785510882 653710886 /nfs/dbraw/zinc/71/08/86/653710886.db2.gz VEGQFAIEMBHDKE-LLVKDONJSA-N 1 0 385.693 2.270 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CCCO1 ZINC000841279613 653712960 /nfs/dbraw/zinc/71/29/60/653712960.db2.gz TWVPANGZORNLJC-SECBINFHSA-N 1 0 393.843 2.169 20 0 GEADRO O=C(Nc1cc2ccccc2nc1Br)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000841297319 653713061 /nfs/dbraw/zinc/71/30/61/653713061.db2.gz MTQGHFXXEFHTBK-LBPRGKRZSA-N 1 0 391.269 2.194 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cnc(Cl)c1Br ZINC000841296852 653713104 /nfs/dbraw/zinc/71/31/04/653713104.db2.gz IWNBKIQHRJJSKU-SECBINFHSA-N 1 0 389.681 2.003 20 0 GEADRO CS(=O)(=O)CCN(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CC1 ZINC000841325169 653713299 /nfs/dbraw/zinc/71/32/99/653713299.db2.gz KEIZJMOCLKGBFN-UHFFFAOYSA-N 1 0 379.404 2.205 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000863450537 653713675 /nfs/dbraw/zinc/71/36/75/653713675.db2.gz LUOHTRHZZSVDGO-ATCWAGBWSA-N 1 0 381.885 2.077 20 0 GEADRO COc1cc(I)ccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000863559046 653715660 /nfs/dbraw/zinc/71/56/60/653715660.db2.gz FRUHCAHCRLYUOY-LBPRGKRZSA-N 1 0 376.238 2.168 20 0 GEADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC000880930433 653717457 /nfs/dbraw/zinc/71/74/57/653717457.db2.gz AFUMNVKIMXTPMQ-UHFFFAOYSA-N 1 0 388.559 2.227 20 0 GEADRO COc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(Br)c1OC ZINC000786016407 653717690 /nfs/dbraw/zinc/71/76/90/653717690.db2.gz FPZWULJRCGSOKI-CHWSQXEVSA-N 1 0 399.285 2.059 20 0 GEADRO COc1cc(NC(=O)c2cnn(C)c2Br)ccc1OCC[NH+](C)C ZINC000841466697 653718124 /nfs/dbraw/zinc/71/81/24/653718124.db2.gz GCUOICSFXPPDNC-UHFFFAOYSA-N 1 0 397.273 2.384 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000864051890 653724800 /nfs/dbraw/zinc/72/48/00/653724800.db2.gz UWSMPWFIBFFVQX-AWEZNQCLSA-N 1 0 375.254 2.320 20 0 GEADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863751084 653719462 /nfs/dbraw/zinc/71/94/62/653719462.db2.gz FBXNAOGDTNFUGX-NSHDSACASA-N 1 0 388.281 2.131 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cccc2scnc21 ZINC000841481225 653719576 /nfs/dbraw/zinc/71/95/76/653719576.db2.gz KPGKWPFHBQTBMY-UHFFFAOYSA-N 1 0 381.523 2.220 20 0 GEADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000863765531 653719812 /nfs/dbraw/zinc/71/98/12/653719812.db2.gz HURRESBTWNRLRL-QMTHXVAHSA-N 1 0 386.265 2.057 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863765920 653719871 /nfs/dbraw/zinc/71/98/71/653719871.db2.gz PXAWVFFVMUOJIY-CYBMUJFWSA-N 1 0 384.318 2.239 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc2scnc21 ZINC000841488895 653720360 /nfs/dbraw/zinc/72/03/60/653720360.db2.gz SEGDJMNQVGAINM-AWEZNQCLSA-N 1 0 381.523 2.218 20 0 GEADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)CC[NH3+])c1 ZINC000817860223 653721134 /nfs/dbraw/zinc/72/11/34/653721134.db2.gz ZTDUIYCDSGNNDG-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@@H]1C[NH3+] ZINC000817863888 653721447 /nfs/dbraw/zinc/72/14/47/653721447.db2.gz WUSJJYWPVQEYDO-BBBLOLIVSA-N 1 0 396.738 2.491 20 0 GEADRO C[C@H]([NH3+])c1cn([C@@H](C)C(=O)Nc2cccc(I)c2)nn1 ZINC000881151854 653721671 /nfs/dbraw/zinc/72/16/71/653721671.db2.gz DNXZJZSHTSLKGE-IUCAKERBSA-N 1 0 385.209 2.102 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc2scnc21 ZINC000841507440 653723001 /nfs/dbraw/zinc/72/30/01/653723001.db2.gz IMKJWTOUIGUVRO-RDBSUJKOSA-N 1 0 381.523 2.169 20 0 GEADRO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc(Br)cs1 ZINC000817972701 653723081 /nfs/dbraw/zinc/72/30/81/653723081.db2.gz NUTFQAZWTWPSTK-RKDXNWHRSA-N 1 0 387.269 2.392 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1Cl ZINC000818003056 653723415 /nfs/dbraw/zinc/72/34/15/653723415.db2.gz NYRFUEPCYZSJJT-HNNXBMFYSA-N 1 0 389.949 2.474 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000818003210 653723433 /nfs/dbraw/zinc/72/34/33/653723433.db2.gz QQIFYVJFIQNDGN-HNNXBMFYSA-N 1 0 387.933 2.228 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000818002797 653723511 /nfs/dbraw/zinc/72/35/11/653723511.db2.gz GLLWRGCDRMJNNC-OAHLLOKOSA-N 1 0 387.933 2.228 20 0 GEADRO C[C@@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C[C@@]1(C)C[NH3+] ZINC000818007473 653723616 /nfs/dbraw/zinc/72/36/16/653723616.db2.gz AVNNBFCGACUTFN-PIGZYNQJSA-N 1 0 379.917 2.331 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccsc1NC(=O)c1ccccc1Cl ZINC000818011652 653723872 /nfs/dbraw/zinc/72/38/72/653723872.db2.gz KYVOCSYQDRECHL-NSHDSACASA-N 1 0 379.869 2.372 20 0 GEADRO C[NH2+]CCCN(C)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000818015321 653723895 /nfs/dbraw/zinc/72/38/95/653723895.db2.gz WJQJMMOGWMKPCY-UHFFFAOYSA-N 1 0 375.922 2.050 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000881270716 653724289 /nfs/dbraw/zinc/72/42/89/653724289.db2.gz XINJSGKJHQJNPQ-UHFFFAOYSA-N 1 0 397.273 2.340 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000864050694 653724871 /nfs/dbraw/zinc/72/48/71/653724871.db2.gz NLNGLNBIRURVSV-UONOGXRCSA-N 1 0 375.254 2.462 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(CONC(=[NH2+])COc2ccc(F)cc2)s1 ZINC000818080051 653725099 /nfs/dbraw/zinc/72/50/99/653725099.db2.gz MWHGTYNOPXAJKV-UHFFFAOYSA-N 1 0 387.458 2.215 20 0 GEADRO COC(=O)c1ccc(Br)cc1Cn1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000881338620 653727542 /nfs/dbraw/zinc/72/75/42/653727542.db2.gz AQLNBTNNPACZIW-HUUCEWRRSA-N 1 0 395.257 2.054 20 0 GEADRO 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O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)NCC1CCC1 ZINC000819048204 653741475 /nfs/dbraw/zinc/74/14/75/653741475.db2.gz GQTXNHHCGZRORC-HNNXBMFYSA-N 1 0 381.325 2.336 20 0 GEADRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000819057513 653741945 /nfs/dbraw/zinc/74/19/45/653741945.db2.gz XJCMUVHZYZUDNY-DMZKTXOQSA-N 1 0 396.322 2.465 20 0 GEADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C)CC1 ZINC000819057215 653741964 /nfs/dbraw/zinc/74/19/64/653741964.db2.gz UOKWJWVLLGFZJJ-SGANQWHYSA-N 1 0 376.563 2.131 20 0 GEADRO CO[C@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(F)(F)F ZINC000819067154 653742306 /nfs/dbraw/zinc/74/23/06/653742306.db2.gz GORLUKGYRDANIC-CMPLNLGQSA-N 1 0 390.171 2.495 20 0 GEADRO COCC1(CNC(=O)NCCSCc2ccnc(Cl)c2)CC[NH2+]CC1 ZINC000841876872 653742357 /nfs/dbraw/zinc/74/23/57/653742357.db2.gz LZTCKKFWGULKBF-UHFFFAOYSA-N 1 0 386.949 2.284 20 0 GEADRO [NH3+][C@H](c1cn(-c2ccc(I)cc2)nn1)C1CCOCC1 ZINC000864621264 653742427 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CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842006916 653743549 /nfs/dbraw/zinc/74/35/49/653743549.db2.gz WGYUATOTYDSBTF-STQMWFEESA-N 1 0 392.244 2.121 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819133717 653744270 /nfs/dbraw/zinc/74/42/70/653744270.db2.gz QIIDWPOSIRXWMJ-ZDUSSCGKSA-N 1 0 380.279 2.036 20 0 GEADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]C[C@H]2CSCCS2)CC1 ZINC000819143028 653744426 /nfs/dbraw/zinc/74/44/26/653744426.db2.gz YSUFPYXQEGKARZ-LSDHHAIUSA-N 1 0 376.588 2.433 20 0 GEADRO O=S(=O)(N1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000819150416 653744568 /nfs/dbraw/zinc/74/45/68/653744568.db2.gz RUKXQFDRMPCBKK-ZDUSSCGKSA-N 1 0 386.823 2.277 20 0 GEADRO CCNC(=O)N1CC[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819160992 653744764 /nfs/dbraw/zinc/74/47/64/653744764.db2.gz PDZJDLCIIIZIGP-WBMJQRKESA-N 1 0 388.281 2.189 20 0 GEADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000819171259 653744926 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Cn1nc(I)cc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000864840863 653746529 /nfs/dbraw/zinc/74/65/29/653746529.db2.gz GIVWYRLVKYFGKJ-UHFFFAOYSA-N 1 0 384.221 2.339 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(F)c(Br)c1 ZINC000819216012 653746589 /nfs/dbraw/zinc/74/65/89/653746589.db2.gz PRVLWLRFHBITNU-SWLSCSKDSA-N 1 0 390.249 2.133 20 0 GEADRO CON(C)C(=O)CC[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000819234920 653746758 /nfs/dbraw/zinc/74/67/58/653746758.db2.gz IDDXVWUXWYMIOA-HNNXBMFYSA-N 1 0 398.301 2.252 20 0 GEADRO CON(C)S(=O)(=O)c1cc(C(=O)OCCC[NH+]2CCCC2)ccc1Cl ZINC000787984435 653747109 /nfs/dbraw/zinc/74/71/09/653747109.db2.gz VACPFEJOFAPQAK-UHFFFAOYSA-N 1 0 390.889 2.165 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819245074 653747149 /nfs/dbraw/zinc/74/71/49/653747149.db2.gz ROTCLKCDHZYXTN-OWCLPIDISA-N 1 0 392.265 2.032 20 0 GEADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc(F)cn2)CCN1c1cccc(Br)c1 ZINC000819267120 653747558 /nfs/dbraw/zinc/74/75/58/653747558.db2.gz JNNNKVRBYGPPHS-HZPDHXFCSA-N 1 0 394.244 2.412 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC1 ZINC000842205132 653747887 /nfs/dbraw/zinc/74/78/87/653747887.db2.gz DINGBUIBNZBIBZ-UHFFFAOYSA-N 1 0 378.782 2.247 20 0 GEADRO O=S(=O)(NCCC[NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1Cl ZINC000819283540 653747931 /nfs/dbraw/zinc/74/79/31/653747931.db2.gz KVWGTILXJJXYCX-INIZCTEOSA-N 1 0 386.876 2.471 20 0 GEADRO COc1ncc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000819278969 653747999 /nfs/dbraw/zinc/74/79/99/653747999.db2.gz UYGIABJIPZUINF-CQSZACIVSA-N 1 0 398.301 2.226 20 0 GEADRO Cc1ccccc1[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000819285719 653748000 /nfs/dbraw/zinc/74/80/00/653748000.db2.gz BOJZULZLMGVVLD-MRXNPFEDSA-N 1 0 386.876 2.389 20 0 GEADRO C[C@](O)(C[NH2+]CCC1(O)CCOCC1)c1ccc(Br)cc1F ZINC000819303688 653748551 /nfs/dbraw/zinc/74/85/51/653748551.db2.gz JPZAHWLUMKRELZ-HNNXBMFYSA-N 1 0 376.266 2.317 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H](O)c1ccccc1 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O=S(=O)(N1CCC([NH2+]Cc2ccnn2CC2CCC2)CC1)C(F)(F)F ZINC000865488525 653766590 /nfs/dbraw/zinc/76/65/90/653766590.db2.gz FZIQRKIMONDCAV-UHFFFAOYSA-N 1 0 380.436 2.087 20 0 GEADRO CCOC1CC(CC[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000788968762 653767595 /nfs/dbraw/zinc/76/75/95/653767595.db2.gz AWOVZOWPNYZUSV-SHARSMKWSA-N 1 0 389.949 2.499 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(Cl)cc1Cl ZINC000842790872 653767592 /nfs/dbraw/zinc/76/75/92/653767592.db2.gz NZUNKOFFRNYQCJ-DTWKUNHWSA-N 1 0 381.281 2.138 20 0 GEADRO Cc1c(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)cnn1-c1ccc(Cl)cc1 ZINC000842795653 653767859 /nfs/dbraw/zinc/76/78/59/653767859.db2.gz TUHRVFOJFZIBEE-UHFFFAOYSA-N 1 0 380.901 2.382 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842795490 653767871 /nfs/dbraw/zinc/76/78/71/653767871.db2.gz IOKHKPDAMFZLKD-UHFFFAOYSA-N 1 0 375.288 2.006 20 0 GEADRO COc1ncc(Br)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000865543687 653767969 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CC1(NC(=S)NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000789173772 653769928 /nfs/dbraw/zinc/76/99/28/653769928.db2.gz QIVXMTYCFZYEEI-UHFFFAOYSA-N 1 0 377.583 2.047 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000842832424 653770073 /nfs/dbraw/zinc/77/00/73/653770073.db2.gz UBPFLCCYLWRFQD-JTQLQIEISA-N 1 0 381.267 2.017 20 0 GEADRO O=S(=O)(/C=C\c1cccc(Cl)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000842853686 653770523 /nfs/dbraw/zinc/77/05/23/653770523.db2.gz ZXXVATICZAFPCH-RXTQTKKPSA-N 1 0 397.850 2.066 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000842852585 653770535 /nfs/dbraw/zinc/77/05/35/653770535.db2.gz ZDXHSQAAOKUBFU-KFBXHMBNSA-N 1 0 377.279 2.381 20 0 GEADRO O=S(=O)(/C=C\c1ccccc1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000842853090 653770603 /nfs/dbraw/zinc/77/06/03/653770603.db2.gz SAAIMBSDFFWPJD-XTXQVDMPSA-N 1 0 397.850 2.066 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000842852583 653770631 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CC(=O)N[C@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000865711344 653772457 /nfs/dbraw/zinc/77/24/57/653772457.db2.gz LDDFGLBSWWROHL-IRXDYDNUSA-N 1 0 394.313 2.179 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)C2)C1 ZINC000820341934 653772741 /nfs/dbraw/zinc/77/27/41/653772741.db2.gz IBLIJBPFHHMYOT-RDTXWAMCSA-N 1 0 392.297 2.429 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)ccc1Br ZINC000842895220 653772752 /nfs/dbraw/zinc/77/27/52/653772752.db2.gz LMCPLYQFMYJKRI-GFCCVEGCSA-N 1 0 389.315 2.462 20 0 GEADRO CC(=O)Nc1ccc(S(=O)(=O)NCCCCCC[NH3+])cc1Br ZINC000842917983 653773611 /nfs/dbraw/zinc/77/36/11/653773611.db2.gz YDAOHUWBZNLTDM-UHFFFAOYSA-N 1 0 392.319 2.205 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)c(C)c1Cl ZINC000842921725 653773968 /nfs/dbraw/zinc/77/39/68/653773968.db2.gz KKNZZJBAVJHJGE-UHFFFAOYSA-N 1 0 388.898 2.434 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000865776613 653774638 /nfs/dbraw/zinc/77/46/38/653774638.db2.gz CTFHSFKGJKEDET-UHFFFAOYSA-N 1 0 387.322 2.078 20 0 GEADRO Cn1cc(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c(Br)n1 ZINC000865776671 653774724 /nfs/dbraw/zinc/77/47/24/653774724.db2.gz FZIRHDMUTPQEDP-UHFFFAOYSA-N 1 0 387.322 2.078 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000865779911 653774757 /nfs/dbraw/zinc/77/47/57/653774757.db2.gz AXRVCVNRCMSVAO-UHFFFAOYSA-N 1 0 395.301 2.280 20 0 GEADRO C[C@@H](C[NH2+]Cc1ncc(C2OCCO2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000865784481 653775024 /nfs/dbraw/zinc/77/50/24/653775024.db2.gz YYSBPFJELKRKEQ-LBPRGKRZSA-N 1 0 382.507 2.485 20 0 GEADRO CC(C)CN(C(=O)Cn1ccc(Br)cc1=O)C1CC[NH+](C)CC1 ZINC000865810366 653775819 /nfs/dbraw/zinc/77/58/19/653775819.db2.gz OWEVOHLVQYBKAI-UHFFFAOYSA-N 1 0 384.318 2.190 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H](C)CC[NH+](C)C)c1I ZINC000865811841 653775894 /nfs/dbraw/zinc/77/58/94/653775894.db2.gz YJYJURGTBZQYSO-JTQLQIEISA-N 1 0 378.258 2.139 20 0 GEADRO C[C@@H](CNC(=O)c1cc(F)c(Br)cc1F)N1CC[NH+](C)CC1 ZINC000865816760 653776073 /nfs/dbraw/zinc/77/60/73/653776073.db2.gz QRCBWLSTWLBBCN-JTQLQIEISA-N 1 0 376.245 2.093 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[C@@H]2CC2(Cl)Cl)CC1=O ZINC000820577576 653777093 /nfs/dbraw/zinc/77/70/93/653777093.db2.gz HEXVJYIURUUWRL-MGPQQGTHSA-N 1 0 377.312 2.446 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000843049003 653778076 /nfs/dbraw/zinc/77/80/76/653778076.db2.gz FAXRNDKNXKOJHE-DTWKUNHWSA-N 1 0 381.782 2.462 20 0 GEADRO OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843064054 653778548 /nfs/dbraw/zinc/77/85/48/653778548.db2.gz FSTTXHOEAAZXLT-NVXWUHKLSA-N 1 0 398.276 2.478 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000843084772 653778792 /nfs/dbraw/zinc/77/87/92/653778792.db2.gz CLNRHXISRUBBSC-DYVFJYSZSA-N 1 0 376.856 2.378 20 0 GEADRO CN(C[C@H](O)C[NH2+]C[C@H](O)c1c(F)cccc1Cl)C(=O)OC(C)(C)C ZINC000843088737 653778937 /nfs/dbraw/zinc/77/89/37/653778937.db2.gz PCZLWSUMHLQCPQ-RISCZKNCSA-N 1 0 376.856 2.330 20 0 GEADRO O[C@@H](C[NH2+]C[C@H](O)c1ccccn1)COc1cc(F)cc(Br)c1 ZINC000843094242 653779098 /nfs/dbraw/zinc/77/90/98/653779098.db2.gz ITGPREYLIOBTJR-BBRMVZONSA-N 1 0 385.233 2.046 20 0 GEADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000843096355 653779317 /nfs/dbraw/zinc/77/93/17/653779317.db2.gz YYRAZGFZIDBBSP-WMLDXEAASA-N 1 0 376.856 2.378 20 0 GEADRO C[C@](O)(C[NH2+][C@H]1CCCN(CCCO)C1)c1ccc(Br)cc1F ZINC000843097038 653779321 /nfs/dbraw/zinc/77/93/21/653779321.db2.gz WGEFBPWLZPRHIR-YOEHRIQHSA-N 1 0 389.309 2.232 20 0 GEADRO O=S(=O)(CCO)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000843104437 653779426 /nfs/dbraw/zinc/77/94/26/653779426.db2.gz HVFBVKRPSQGOJS-KRWDZBQOSA-N 1 0 387.860 2.068 20 0 GEADRO CCC[C@H](O)[C@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000843102946 653779487 /nfs/dbraw/zinc/77/94/87/653779487.db2.gz XHUVVXFTLJJTFM-KKUMJFAQSA-N 1 0 380.710 2.422 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNc1ncc(I)c2ccccc21 ZINC000820657567 653779576 /nfs/dbraw/zinc/77/95/76/653779576.db2.gz CNBHRZQQGDNHLN-LBPRGKRZSA-N 1 0 396.276 2.497 20 0 GEADRO CN(C[C@@H](O)C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000843113000 653779783 /nfs/dbraw/zinc/77/97/83/653779783.db2.gz ZMNAEILJAVXVKS-GJZGRUSLSA-N 1 0 376.856 2.330 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc(Br)cc1S(N)(=O)=O ZINC000865930347 653780348 /nfs/dbraw/zinc/78/03/48/653780348.db2.gz QCUHAFZWWBGCEG-NSHDSACASA-N 1 0 376.320 2.381 20 0 GEADRO CC(C)[C@@H]([NH3+])c1noc(CCN2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843150535 653780394 /nfs/dbraw/zinc/78/03/94/653780394.db2.gz JYLSFUDGEUVRDX-CYBMUJFWSA-N 1 0 393.241 2.327 20 0 GEADRO O=c1c2cc(Br)ccc2ncn1Cc1nc(C2CC[NH2+]CC2)no1 ZINC000843137838 653780479 /nfs/dbraw/zinc/78/04/79/653780479.db2.gz FVWVIMBNLNDFCW-UHFFFAOYSA-N 1 0 390.241 2.057 20 0 GEADRO COc1cc(Br)c(Cc2noc([C@@H]3C[NH2+]CCO3)n2)cc1OC ZINC000843198737 653781117 /nfs/dbraw/zinc/78/11/17/653781117.db2.gz YWKRUHOKWOGUSU-ZDUSSCGKSA-N 1 0 384.230 2.101 20 0 GEADRO [NH3+]CCCCc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000843201411 653781139 /nfs/dbraw/zinc/78/11/39/653781139.db2.gz SVELVFAHOIXUNV-UHFFFAOYSA-N 1 0 378.230 2.353 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cnc1Cl ZINC000882432295 653781487 /nfs/dbraw/zinc/78/14/87/653781487.db2.gz QCFFHFWZPYYNHZ-OCCSQVGLSA-N 1 0 375.922 2.485 20 0 GEADRO COc1nc(-c2noc(C[C@@H](C)[C@@H]3CCC[NH2+]C3)n2)ncc1Br ZINC000843212306 653781588 /nfs/dbraw/zinc/78/15/88/653781588.db2.gz FDOLBQKHVZSPOP-NXEZZACHSA-N 1 0 382.262 2.476 20 0 GEADRO COc1nc(-c2noc(C[C@@H](C)[C@H]3CCC[NH2+]C3)n2)ncc1Br ZINC000843212309 653781611 /nfs/dbraw/zinc/78/16/11/653781611.db2.gz FDOLBQKHVZSPOP-ZJUUUORDSA-N 1 0 382.262 2.476 20 0 GEADRO [NH3+][C@H](Cc1nc(-c2cccn3c(I)cnc23)no1)C1CC1 ZINC000843224005 653781681 /nfs/dbraw/zinc/78/16/81/653781681.db2.gz IRAQBPOSIHSQDF-SNVBAGLBSA-N 1 0 395.204 2.269 20 0 GEADRO [NH3+]CCCCc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000843224551 653781967 /nfs/dbraw/zinc/78/19/67/653781967.db2.gz PNARBAFCJOCLGN-UHFFFAOYSA-N 1 0 383.193 2.270 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000843264756 653782452 /nfs/dbraw/zinc/78/24/52/653782452.db2.gz OMQSBSVGSAFGRK-UHFFFAOYSA-N 1 0 390.709 2.354 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000843262853 653782502 /nfs/dbraw/zinc/78/25/02/653782502.db2.gz VNDVZBNHKULGJC-CQSZACIVSA-N 1 0 398.301 2.024 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000843262852 653782531 /nfs/dbraw/zinc/78/25/31/653782531.db2.gz VNDVZBNHKULGJC-AWEZNQCLSA-N 1 0 398.301 2.024 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1cccc(Br)c1 ZINC000866043023 653784433 /nfs/dbraw/zinc/78/44/33/653784433.db2.gz IGFWEAFEZFXXMR-DQYPLSBCSA-N 1 0 396.329 2.425 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1CCC2(CC1)CC[NH+](C)CC2 ZINC000866054439 653784699 /nfs/dbraw/zinc/78/46/99/653784699.db2.gz DCCUNMHWERRYSI-UHFFFAOYSA-N 1 0 379.306 2.438 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000866066993 653785028 /nfs/dbraw/zinc/78/50/28/653785028.db2.gz AKITZUGBHJBKMP-CVEARBPZSA-N 1 0 382.302 2.179 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000866073569 653785159 /nfs/dbraw/zinc/78/51/59/653785159.db2.gz PVAYRYBPBWVIKQ-LYRGGWFBSA-N 1 0 382.302 2.225 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1I ZINC000866074047 653785184 /nfs/dbraw/zinc/78/51/84/653785184.db2.gz XQKRLUXFXWYJGJ-WDEREUQCSA-N 1 0 390.269 2.281 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000843398869 653786172 /nfs/dbraw/zinc/78/61/72/653786172.db2.gz IYOUABPECGJQNL-JKSUJKDBSA-N 1 0 383.286 2.118 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)NCc1cc(Br)ccc1OC(F)F ZINC000843420504 653786540 /nfs/dbraw/zinc/78/65/40/653786540.db2.gz FWDIBLTXXVWOOU-LBPRGKRZSA-N 1 0 393.228 2.435 20 0 GEADRO CCN(C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1)[C@@H](C)CS(=O)(=O)CC ZINC000843439115 653787047 /nfs/dbraw/zinc/78/70/47/653787047.db2.gz ATAWIWLRWLQWSD-JSGCOSHPSA-N 1 0 375.922 2.105 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1cnn(-c2ccccc2Br)c1 ZINC000843496385 653788236 /nfs/dbraw/zinc/78/82/36/653788236.db2.gz YSRJNUBQTPRTKT-CYBMUJFWSA-N 1 0 379.258 2.342 20 0 GEADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)cn3ncnc13)C2 ZINC000821026103 653789048 /nfs/dbraw/zinc/78/90/48/653789048.db2.gz PPQGVLUZCLLMPW-INIZCTEOSA-N 1 0 378.274 2.050 20 0 GEADRO CC[NH+](CC)CCN(C(=S)Nc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000790304078 653789120 /nfs/dbraw/zinc/78/91/20/653789120.db2.gz BVLNXCINGCKAQJ-CQSZACIVSA-N 1 0 375.585 2.276 20 0 GEADRO CCn1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1Br ZINC000821043524 653789364 /nfs/dbraw/zinc/78/93/64/653789364.db2.gz SMROOURHCGNXOH-GJZGRUSLSA-N 1 0 399.333 2.163 20 0 GEADRO CCn1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1Br ZINC000821043525 653789429 /nfs/dbraw/zinc/78/94/29/653789429.db2.gz SMROOURHCGNXOH-HUUCEWRRSA-N 1 0 399.333 2.163 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1)C(F)(F)F ZINC000866265093 653789525 /nfs/dbraw/zinc/78/95/25/653789525.db2.gz IGOAHAAWGVIPHJ-LSDHHAIUSA-N 1 0 384.464 2.485 20 0 GEADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Br)cnc1C1CC1 ZINC000821052458 653789545 /nfs/dbraw/zinc/78/95/45/653789545.db2.gz MLZLUCDFKFXILI-CQSZACIVSA-N 1 0 382.302 2.298 20 0 GEADRO O=S(=O)(N1CCC([NH2+][C@H]2c3ccccc3OC[C@@H]2F)CC1)C(F)(F)F ZINC000866281073 653789729 /nfs/dbraw/zinc/78/97/29/653789729.db2.gz IAUQUMRDUMNYER-JSGCOSHPSA-N 1 0 382.379 2.362 20 0 GEADRO C[NH+]1CCC(NC(=S)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000790355528 653789963 /nfs/dbraw/zinc/78/99/63/653789963.db2.gz LBBLLDRWWBEJSJ-UHFFFAOYSA-N 1 0 392.388 2.274 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866295984 653790504 /nfs/dbraw/zinc/79/05/04/653790504.db2.gz MBDTUUJFPKMUJX-UKRRQHHQSA-N 1 0 378.416 2.312 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000866381971 653792101 /nfs/dbraw/zinc/79/21/01/653792101.db2.gz WJMHDBIXZOBKAM-CYBMUJFWSA-N 1 0 385.306 2.021 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 ZINC000843764541 653793501 /nfs/dbraw/zinc/79/35/01/653793501.db2.gz KLCGKMAFHMQMAG-UHFFFAOYSA-N 1 0 394.249 2.318 20 0 GEADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)N=S(=O)(CC)CC ZINC000866428987 653794876 /nfs/dbraw/zinc/79/48/76/653794876.db2.gz HQJGDWHRLBEMBR-UHFFFAOYSA-N 1 0 375.560 2.371 20 0 GEADRO Cn1ncc(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)c1C(F)(F)F ZINC000866470607 653797423 /nfs/dbraw/zinc/79/74/23/653797423.db2.gz VPUZYZHLVSWADB-UHFFFAOYSA-N 1 0 382.452 2.372 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000844042040 653799879 /nfs/dbraw/zinc/79/98/79/653799879.db2.gz UQPXGGRNEWHJSW-LLVKDONJSA-N 1 0 375.416 2.491 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@@H]3CCc4cc(Br)ccc4C3)COCCN12 ZINC000866519218 653800285 /nfs/dbraw/zinc/80/02/85/653800285.db2.gz OHBGVQVXPSEBCQ-NVXWUHKLSA-N 1 0 381.270 2.117 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@H]3CCc4c3ccc(F)c4Br)COCCN12 ZINC000866522227 653800395 /nfs/dbraw/zinc/80/03/95/653800395.db2.gz UEKXPZJRGGERHK-XJKSGUPXSA-N 1 0 385.233 2.386 20 0 GEADRO Ic1cccnc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882725834 653800697 /nfs/dbraw/zinc/80/06/97/653800697.db2.gz CDNMFZWQRUPRGB-CYBMUJFWSA-N 1 0 387.265 2.424 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c(Br)c1 ZINC000866525558 653800816 /nfs/dbraw/zinc/80/08/16/653800816.db2.gz SAMXVNITJZMOCV-MEDUHNTESA-N 1 0 385.258 2.330 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@H]3CCc4c3c(Br)ccc4F)COCCN12 ZINC000866525566 653800892 /nfs/dbraw/zinc/80/08/92/653800892.db2.gz SBRDTSVKAZLWQQ-XJKSGUPXSA-N 1 0 385.233 2.386 20 0 GEADRO CC(C)(C[NH2+][C@H]1CCc2c1cc(Br)cc2F)CS(N)(=O)=O ZINC000866570727 653802720 /nfs/dbraw/zinc/80/27/20/653802720.db2.gz PAQHNKLCDRKDNY-ZDUSSCGKSA-N 1 0 379.295 2.480 20 0 GEADRO CCOC(=O)c1csc(CNC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)n1 ZINC000844188008 653802972 /nfs/dbraw/zinc/80/29/72/653802972.db2.gz TVVFEBFWMWUSAQ-NSHDSACASA-N 1 0 382.873 2.383 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844196225 653802979 /nfs/dbraw/zinc/80/29/79/653802979.db2.gz CEWMOJFVWMTFAD-NWDGAFQWSA-N 1 0 378.523 2.137 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000844195962 653803066 /nfs/dbraw/zinc/80/30/66/653803066.db2.gz DYWNOKVEAWNLTC-NRUUGDAUSA-N 1 0 398.248 2.055 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000866629047 653806894 /nfs/dbraw/zinc/80/68/94/653806894.db2.gz CATDBUDOKKPOBL-ZLKJLUDKSA-N 1 0 387.265 2.462 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000821817801 653808149 /nfs/dbraw/zinc/80/81/49/653808149.db2.gz XJEGULGGUPKJCK-ZDUSSCGKSA-N 1 0 383.290 2.215 20 0 GEADRO Cc1cccc(OS(=O)(=O)CCCN2CC[NH+](C)CC2)c1Br ZINC000882816831 653811394 /nfs/dbraw/zinc/81/13/94/653811394.db2.gz CMTAINKPVQGXNG-UHFFFAOYSA-N 1 0 391.331 2.104 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H]2[C@@H](C(=O)OC)C2(F)F)c1 ZINC000894991203 653811415 /nfs/dbraw/zinc/81/14/15/653811415.db2.gz PYMWRGWLGBSNFH-OLZOCXBDSA-N 1 0 381.828 2.278 20 0 GEADRO C[C@H]1CN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CCN1c1cc[nH+]cc1 ZINC000882821347 653811959 /nfs/dbraw/zinc/81/19/59/653811959.db2.gz SBBHYNTXUCWUCG-LBPRGKRZSA-N 1 0 376.869 2.484 20 0 GEADRO C[C@H]1CN(c2ncnc3c2c(Br)nn3C)CCN1c1cc[nH+]cc1 ZINC000882822108 653811987 /nfs/dbraw/zinc/81/19/87/653811987.db2.gz USWYIVWMGCGGQM-NSHDSACASA-N 1 0 388.273 2.236 20 0 GEADRO CC[C@@](C[NH2+]Cc1nc(Br)nn1C)(C(=O)OC)c1ccccc1 ZINC000895015994 653812899 /nfs/dbraw/zinc/81/28/99/653812899.db2.gz KIXLICXCAXVVBB-INIZCTEOSA-N 1 0 381.274 2.188 20 0 GEADRO COC(=O)[C@H]1CSCC[N@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000895015358 653812963 /nfs/dbraw/zinc/81/29/63/653812963.db2.gz FOVJFUNIYCGOJF-NEPJUHHUSA-N 1 0 382.473 2.373 20 0 GEADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(CCOc2ccc(Cl)cc2Cl)C1 ZINC000866706154 653813145 /nfs/dbraw/zinc/81/31/45/653813145.db2.gz AAOBKOSGLNHELC-XPKDYRNWSA-N 1 0 386.279 2.239 20 0 GEADRO COc1cc(NCc2nc(Br)nn2C)ccc1OCC[NH+](C)C ZINC000895025399 653813144 /nfs/dbraw/zinc/81/31/44/653813144.db2.gz PMBOEBCJQFCWCS-UHFFFAOYSA-N 1 0 384.278 2.139 20 0 GEADRO CNC(=O)[C@]1(C)CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844703085 653814592 /nfs/dbraw/zinc/81/45/92/653814592.db2.gz BOUSCRYHEQBMIA-GOSISDBHSA-N 1 0 392.297 2.090 20 0 GEADRO CC(C)[C@H]([NH2+]Cc1c(I)cnn1C)C1(CO)CC=CC1 ZINC000895087801 653816878 /nfs/dbraw/zinc/81/68/78/653816878.db2.gz XTXATANSOJCSPI-AWEZNQCLSA-N 1 0 389.281 2.468 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1cc(Cl)cnc1Cl ZINC000866734888 653816976 /nfs/dbraw/zinc/81/69/76/653816976.db2.gz IGNAUCQKOIOZGV-UHFFFAOYSA-N 1 0 375.281 2.242 20 0 GEADRO CC(C)(C)[NH2+]CCC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000822095178 653818181 /nfs/dbraw/zinc/81/81/81/653818181.db2.gz BMMVMVRRATZXPC-UHFFFAOYSA-N 1 0 385.306 2.397 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)COC1CC[NH+](C)CC1 ZINC000822097906 653818278 /nfs/dbraw/zinc/81/82/78/653818278.db2.gz VLCIWDVXPYSBBA-INIZCTEOSA-N 1 0 385.302 2.052 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1nc(Br)ccc1F ZINC000791652467 653820220 /nfs/dbraw/zinc/82/02/20/653820220.db2.gz CJQSTPIPXIDOHR-WXHSDQCUSA-N 1 0 386.265 2.307 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000866766580 653821774 /nfs/dbraw/zinc/82/17/74/653821774.db2.gz VTZQMFWYWHSMNM-CQSZACIVSA-N 1 0 389.315 2.019 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000866774080 653823271 /nfs/dbraw/zinc/82/32/71/653823271.db2.gz NAMHLJJJDYDPMG-CHWSQXEVSA-N 1 0 377.304 2.147 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NCCCCCC[NH3+] ZINC000866774813 653823577 /nfs/dbraw/zinc/82/35/77/653823577.db2.gz VVRNXCXPZKJYLD-UHFFFAOYSA-N 1 0 379.320 2.396 20 0 GEADRO O=S(=O)(Cc1ccc(F)cc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000866780738 653824792 /nfs/dbraw/zinc/82/47/92/653824792.db2.gz HSDOJXYLMKPUHZ-MRXNPFEDSA-N 1 0 390.908 2.399 20 0 GEADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)nn1 ZINC000895313267 653826635 /nfs/dbraw/zinc/82/66/35/653826635.db2.gz DKQKCSUTXBAQMV-RUZDIDTESA-N 1 0 382.408 2.224 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000895293937 653826824 /nfs/dbraw/zinc/82/68/24/653826824.db2.gz XDINELFBBSIFOQ-IAGOWNOFSA-N 1 0 396.329 2.498 20 0 GEADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000895323217 653827473 /nfs/dbraw/zinc/82/74/73/653827473.db2.gz AWLHMOAGXGZTON-IRXDYDNUSA-N 1 0 380.286 2.261 20 0 GEADRO C[N@H+](CCc1ccccc1)CC(=O)N1CCn2c(Br)cnc2C1 ZINC000822438942 653828367 /nfs/dbraw/zinc/82/83/67/653828367.db2.gz ALKUWZJATYHPOB-UHFFFAOYSA-N 1 0 377.286 2.162 20 0 GEADRO Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cnc1Br ZINC000822492408 653829332 /nfs/dbraw/zinc/82/93/32/653829332.db2.gz ADIIGWDFDOXYBO-CQSZACIVSA-N 1 0 383.290 2.215 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000895348938 653829410 /nfs/dbraw/zinc/82/94/10/653829410.db2.gz CKJPGBIKXLMJGS-AWEZNQCLSA-N 1 0 396.276 2.389 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000866805508 653829522 /nfs/dbraw/zinc/82/95/22/653829522.db2.gz MPOYOJDQWRRINW-OTSSQURYSA-N 1 0 387.221 2.484 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000866812294 653830987 /nfs/dbraw/zinc/83/09/87/653830987.db2.gz HDKQMKBJDKZEJE-JTQLQIEISA-N 1 0 375.878 2.185 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000866812435 653831076 /nfs/dbraw/zinc/83/10/76/653831076.db2.gz APIUMFJFHLGTCU-JTQLQIEISA-N 1 0 377.304 2.124 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000866815179 653831549 /nfs/dbraw/zinc/83/15/49/653831549.db2.gz MJKLQYBKIAPPEU-PXAZEXFGSA-N 1 0 387.571 2.331 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1Br ZINC000866814695 653831586 /nfs/dbraw/zinc/83/15/86/653831586.db2.gz UTNSVWWECUOALQ-JTQLQIEISA-N 1 0 377.304 2.124 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)CCC(C)C ZINC000883187147 653831711 /nfs/dbraw/zinc/83/17/11/653831711.db2.gz HQBNRLPJWTZTPR-KBPBESRZSA-N 1 0 377.938 2.091 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N3CC[C@@](C[NH3+])(C(C)(C)C)C3)cnc2c1Cl ZINC000866815888 653831916 /nfs/dbraw/zinc/83/19/16/653831916.db2.gz VNIWPBRCGATDKQ-INIZCTEOSA-N 1 0 385.921 2.077 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000866821218 653832525 /nfs/dbraw/zinc/83/25/25/653832525.db2.gz VOPXHSBCWZAUPV-UHFFFAOYSA-N 1 0 382.404 2.022 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCc3ccns3)CC2)cc1 ZINC000883247245 653833114 /nfs/dbraw/zinc/83/31/14/653833114.db2.gz DCDDCYREUIDLHL-UHFFFAOYSA-N 1 0 381.523 2.137 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866824078 653833403 /nfs/dbraw/zinc/83/34/03/653833403.db2.gz RGIZEIBPAANCIV-ZIAGYGMSSA-N 1 0 377.279 2.244 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(C)c1Cl ZINC000866824204 653833455 /nfs/dbraw/zinc/83/34/55/653833455.db2.gz KGXRIRHUFQKCFO-NXEZZACHSA-N 1 0 378.903 2.012 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)CC[NH2+]CC1 ZINC000866825574 653833673 /nfs/dbraw/zinc/83/36/73/653833673.db2.gz MTCZECUIVYYVSL-UHFFFAOYSA-N 1 0 380.432 2.451 20 0 GEADRO O=C(c1nc(Br)ccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000792060163 653833733 /nfs/dbraw/zinc/83/37/33/653833733.db2.gz KUBMOTZHPYIEOU-UHFFFAOYSA-N 1 0 386.265 2.168 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1nc(Br)nn1C ZINC000895418819 653833919 /nfs/dbraw/zinc/83/39/19/653833919.db2.gz QMSIULMTEJCFQY-ZFWWWQNUSA-N 1 0 378.318 2.435 20 0 GEADRO C[NH+](C)CC1(C(=O)N2CCC(O)(c3scnc3Br)CC2)CC1 ZINC000822626943 653834191 /nfs/dbraw/zinc/83/41/91/653834191.db2.gz FICNFPNXPDDKRD-UHFFFAOYSA-N 1 0 388.331 2.057 20 0 GEADRO Cn1cc(-c2ccc(C[NH2+]CC3(S(=O)(=O)NC(C)(C)C)CC3)s2)cn1 ZINC000883290728 653834253 /nfs/dbraw/zinc/83/42/53/653834253.db2.gz DYERCQKNXPNBGN-UHFFFAOYSA-N 1 0 382.555 2.489 20 0 GEADRO O=S(=O)(CCC[NH+]1CCCC1)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000866837278 653836230 /nfs/dbraw/zinc/83/62/30/653836230.db2.gz BYTYZFLDQLGCCO-OAHLLOKOSA-N 1 0 380.432 2.144 20 0 GEADRO COc1cccc([C@H](CNC(=O)c2cn(C)nc2Br)[NH+](C)C)c1 ZINC000895460089 653836534 /nfs/dbraw/zinc/83/65/34/653836534.db2.gz GARGZLVVOVDBEP-AWEZNQCLSA-N 1 0 381.274 2.224 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000883359182 653836839 /nfs/dbraw/zinc/83/68/39/653836839.db2.gz ZSBHAZLEJYAUJK-JOYOIKCWSA-N 1 0 390.374 2.146 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1nc(Br)ccc1F ZINC000792189463 653837145 /nfs/dbraw/zinc/83/71/45/653837145.db2.gz LPKATYVUYGSWGY-NSHDSACASA-N 1 0 386.265 2.214 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895508268 653838702 /nfs/dbraw/zinc/83/87/02/653838702.db2.gz QEENZSJWYAFASW-AWEZNQCLSA-N 1 0 391.269 2.400 20 0 GEADRO C[C@H]1CN(C(=O)c2nc(Br)ccc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000792292288 653839385 /nfs/dbraw/zinc/83/93/85/653839385.db2.gz YXWABZAKKDSAFF-JSGCOSHPSA-N 1 0 399.308 2.081 20 0 GEADRO Cc1nc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])sc1Br ZINC000883427372 653839898 /nfs/dbraw/zinc/83/98/98/653839898.db2.gz PWNKZRZEROEIQU-LLVKDONJSA-N 1 0 375.336 2.034 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CC[NH2+]CCC12CCC2 ZINC000883458263 653840663 /nfs/dbraw/zinc/84/06/63/653840663.db2.gz CLJZPYQGGXGUIX-UHFFFAOYSA-N 1 0 377.290 2.143 20 0 GEADRO CC(C)C(=O)Nc1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1 ZINC000883471189 653840980 /nfs/dbraw/zinc/84/09/80/653840980.db2.gz ZKFRIZNHQATADH-UHFFFAOYSA-N 1 0 381.420 2.183 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000866873385 653840952 /nfs/dbraw/zinc/84/09/52/653840952.db2.gz BOVIECQOBUZXBT-LLVKDONJSA-N 1 0 379.320 2.217 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000883469824 653841058 /nfs/dbraw/zinc/84/10/58/653841058.db2.gz BNUSRZURBABSDJ-UHFFFAOYSA-N 1 0 399.822 2.127 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)Cc1ccc(Cl)c(F)c1)C2 ZINC000883481074 653842636 /nfs/dbraw/zinc/84/26/36/653842636.db2.gz WPMKOVXBIYWICV-UHFFFAOYSA-N 1 0 375.878 2.282 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cc(F)ccc1OC(F)F)C2 ZINC000883481108 653842735 /nfs/dbraw/zinc/84/27/35/653842735.db2.gz XKVLHULMPJFILE-UHFFFAOYSA-N 1 0 393.412 2.089 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000883484268 653843090 /nfs/dbraw/zinc/84/30/90/653843090.db2.gz LIAPGDDPGGYYRP-UHFFFAOYSA-N 1 0 382.711 2.390 20 0 GEADRO Cc1nonc1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000845320155 653843495 /nfs/dbraw/zinc/84/34/95/653843495.db2.gz LWGXOUYJAPCUAV-UHFFFAOYSA-N 1 0 381.274 2.273 20 0 GEADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866885115 653843505 /nfs/dbraw/zinc/84/35/05/653843505.db2.gz CVFRGQGJTPFWDK-ZDUSSCGKSA-N 1 0 399.314 2.067 20 0 GEADRO C[C@@H](C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000895677995 653845557 /nfs/dbraw/zinc/84/55/57/653845557.db2.gz QSLYTXQNVJHOBH-JOYOIKCWSA-N 1 0 375.359 2.342 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000895693830 653846312 /nfs/dbraw/zinc/84/63/12/653846312.db2.gz MUAQNRAXRCOGQG-HNNXBMFYSA-N 1 0 384.318 2.342 20 0 GEADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000883593231 653846729 /nfs/dbraw/zinc/84/67/29/653846729.db2.gz DXEMBWSKCLEBMJ-LRDDRELGSA-N 1 0 395.257 2.186 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000895730352 653847965 /nfs/dbraw/zinc/84/79/65/653847965.db2.gz QXFZOFQSQBKTRZ-VHSXEESVSA-N 1 0 390.269 2.173 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000883620502 653848096 /nfs/dbraw/zinc/84/80/96/653848096.db2.gz JEUIKJHNNYTXOB-UHFFFAOYSA-N 1 0 397.195 2.045 20 0 GEADRO CSc1cccc(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)c1C ZINC000883623278 653848319 /nfs/dbraw/zinc/84/83/19/653848319.db2.gz PPJMZCSXVKIALW-UHFFFAOYSA-N 1 0 376.507 2.156 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000883626623 653848376 /nfs/dbraw/zinc/84/83/76/653848376.db2.gz BCGKPIICRLQBSK-UHFFFAOYSA-N 1 0 380.286 2.068 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1cscc1Br ZINC000883647577 653849469 /nfs/dbraw/zinc/84/94/69/653849469.db2.gz YGQPHLWLYUQHSU-GFCCVEGCSA-N 1 0 388.331 2.070 20 0 GEADRO Cn1ncc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)c1Br ZINC000866926295 653850499 /nfs/dbraw/zinc/85/04/99/653850499.db2.gz WRHCJFSAMVZMGJ-UHFFFAOYSA-N 1 0 393.351 2.068 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000895803176 653851018 /nfs/dbraw/zinc/85/10/18/653851018.db2.gz UZULOQZTOQXADC-SNVBAGLBSA-N 1 0 390.269 2.175 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000823033746 653851116 /nfs/dbraw/zinc/85/11/16/653851116.db2.gz IJIKSNFWZBWBTF-LLVKDONJSA-N 1 0 376.400 2.194 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)C[C@H]1CCCOC1 ZINC000792745411 653851557 /nfs/dbraw/zinc/85/15/57/653851557.db2.gz IAWQSNJWSZUWOZ-AWEZNQCLSA-N 1 0 376.469 2.085 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000866940084 653852611 /nfs/dbraw/zinc/85/26/11/653852611.db2.gz IXKXNVWXCDQSCE-NSHDSACASA-N 1 0 375.878 2.116 20 0 GEADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2csc(C(F)(F)F)n2)cc1 ZINC000895840847 653852540 /nfs/dbraw/zinc/85/25/40/653852540.db2.gz LWLIKOKKVIGXBP-UHFFFAOYSA-N 1 0 379.429 2.402 20 0 GEADRO CC[NH+]1CCC(CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000895858591 653853164 /nfs/dbraw/zinc/85/31/64/653853164.db2.gz PPXRLEOIWXPGDG-MRXNPFEDSA-N 1 0 395.297 2.379 20 0 GEADRO COC[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@@H]1CCCOC1 ZINC000895859671 653853181 /nfs/dbraw/zinc/85/31/81/653853181.db2.gz VHKACLOUILHUML-OLZOCXBDSA-N 1 0 375.922 2.164 20 0 GEADRO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000895888735 653855660 /nfs/dbraw/zinc/85/56/60/653855660.db2.gz VZSDDRZZNNBFKF-UHFFFAOYSA-N 1 0 382.869 2.391 20 0 GEADRO Fc1ccc(Br)nc1-c1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000823167789 653856448 /nfs/dbraw/zinc/85/64/48/653856448.db2.gz MAPOQORTFNDWFU-QMMMGPOBSA-N 1 0 394.208 2.216 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)nc1Br ZINC000792950975 653856815 /nfs/dbraw/zinc/85/68/15/653856815.db2.gz LEYAZUYTAZVAES-GFCCVEGCSA-N 1 0 385.306 2.184 20 0 GEADRO O=C(NCc1noc([C@H]2C[C@]23CC[NH2+]C3)n1)c1ccc(Br)cc1 ZINC000823200350 653857530 /nfs/dbraw/zinc/85/75/30/653857530.db2.gz ULFCTAJEXWMFHY-WBMJQRKESA-N 1 0 377.242 2.229 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000792983515 653859082 /nfs/dbraw/zinc/85/90/82/653859082.db2.gz VCJAIWAMEYVTRR-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)nc1Br ZINC000792986863 653859369 /nfs/dbraw/zinc/85/93/69/653859369.db2.gz DUHVOWNHNURNBZ-CYBMUJFWSA-N 1 0 395.301 2.035 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884017232 653860274 /nfs/dbraw/zinc/86/02/74/653860274.db2.gz PPTDKSPDDUUILR-SNVBAGLBSA-N 1 0 398.692 2.413 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884017357 653860724 /nfs/dbraw/zinc/86/07/24/653860724.db2.gz UZUPKHSLLLCLTN-JTQLQIEISA-N 1 0 398.692 2.494 20 0 GEADRO CS(=O)(=O)c1ccc(-c2noc([C@@]3(c4ccccc4)CC[NH2+]C3)n2)s1 ZINC000823295574 653861274 /nfs/dbraw/zinc/86/12/74/653861274.db2.gz JHKIOSIECHXDMB-KRWDZBQOSA-N 1 0 375.475 2.481 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000845734704 653861352 /nfs/dbraw/zinc/86/13/52/653861352.db2.gz IIZSIUVDAQZRFE-UONOGXRCSA-N 1 0 386.539 2.317 20 0 GEADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000845740530 653861635 /nfs/dbraw/zinc/86/16/35/653861635.db2.gz PAMKYIKEMMDNBW-TZMCWYRMSA-N 1 0 388.917 2.423 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(Br)cc1 ZINC000884063104 653861997 /nfs/dbraw/zinc/86/19/97/653861997.db2.gz NCQIQMVDLOHIJR-INIZCTEOSA-N 1 0 394.313 2.310 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)c1cnn(C(C)(C)C)c1I ZINC000896073872 653863156 /nfs/dbraw/zinc/86/31/56/653863156.db2.gz RJYVEQWMBLLSFN-UHFFFAOYSA-N 1 0 392.285 2.313 20 0 GEADRO CC(C)C(=O)NC1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884093119 653863235 /nfs/dbraw/zinc/86/32/35/653863235.db2.gz YVEKRCSNSHPSST-HNNXBMFYSA-N 1 0 382.302 2.212 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000793041923 653863890 /nfs/dbraw/zinc/86/38/90/653863890.db2.gz MAUHPGWUPJUDSC-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000867005393 653864062 /nfs/dbraw/zinc/86/40/62/653864062.db2.gz ZBABEVHXRKLJGQ-IIOOSLMMSA-N 1 0 387.571 2.239 20 0 GEADRO [NH3+][C@@H](C(=O)NCCC(=O)N1CCCCCC1)c1ccc(Br)cc1 ZINC000884114041 653864281 /nfs/dbraw/zinc/86/42/81/653864281.db2.gz GSQXYKJSZAHVTC-MRXNPFEDSA-N 1 0 382.302 2.358 20 0 GEADRO O=C(NCc1sccc1Br)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884112568 653864332 /nfs/dbraw/zinc/86/43/32/653864332.db2.gz PNTAPVLHOKQHHV-UHFFFAOYSA-N 1 0 381.299 2.245 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000884130648 653864919 /nfs/dbraw/zinc/86/49/19/653864919.db2.gz PLLQEHITRSLVPS-GDBMZVCRSA-N 1 0 380.286 2.062 20 0 GEADRO CC(C)N1C(=S)N=NC1CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884127948 653864948 /nfs/dbraw/zinc/86/49/48/653864948.db2.gz QPMYHWCQBOSEFE-LBPRGKRZSA-N 1 0 384.303 2.226 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)nc1Br ZINC000793063954 653865035 /nfs/dbraw/zinc/86/50/35/653865035.db2.gz AVUGIDJYUZZCKK-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884136778 653865337 /nfs/dbraw/zinc/86/53/37/653865337.db2.gz UZDZBDJGKGWXPV-VHDGCEQUSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884172591 653866662 /nfs/dbraw/zinc/86/66/62/653866662.db2.gz YSTWPGNGNUNVKA-OTYXRUKQSA-N 1 0 379.309 2.201 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(Br)cn3ccnc23)C[C@@H]1[NH+](C)C ZINC000867019833 653866825 /nfs/dbraw/zinc/86/68/25/653866825.db2.gz WLEYWQXAXPLQPG-QWHCGFSZSA-N 1 0 383.315 2.214 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc(Br)cn3ccnc23)C[C@H]1[NH+](C)C ZINC000867019831 653866860 /nfs/dbraw/zinc/86/68/60/653866860.db2.gz WLEYWQXAXPLQPG-CHWSQXEVSA-N 1 0 383.315 2.214 20 0 GEADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000896201756 653868654 /nfs/dbraw/zinc/86/86/54/653868654.db2.gz AVDQAYONZSKNRJ-WXRRBKDZSA-N 1 0 382.473 2.044 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCCc1ccc(Br)cc1 ZINC000884287351 653870719 /nfs/dbraw/zinc/87/07/19/653870719.db2.gz YVCYMUGUHUDLHT-HNNXBMFYSA-N 1 0 383.286 2.135 20 0 GEADRO O=C(c1cc(Br)nn1-c1ncccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884304044 653871230 /nfs/dbraw/zinc/87/12/30/653871230.db2.gz FGNHWKXRXSWBNF-SKDRFNHKSA-N 1 0 396.676 2.117 20 0 GEADRO COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884323317 653872265 /nfs/dbraw/zinc/87/22/65/653872265.db2.gz LAYFDVOHGFUXFR-NXEZZACHSA-N 1 0 383.164 2.059 20 0 GEADRO Cn1cc(S(=O)(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)nc1Cl ZINC000845956607 653872554 /nfs/dbraw/zinc/87/25/54/653872554.db2.gz ZLQUUKXEFAZGQQ-LBPRGKRZSA-N 1 0 391.324 2.351 20 0 GEADRO CN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000884338641 653873033 /nfs/dbraw/zinc/87/30/33/653873033.db2.gz OCYNNYXIMCELTN-GFCCVEGCSA-N 1 0 398.692 2.493 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000884345575 653873433 /nfs/dbraw/zinc/87/34/33/653873433.db2.gz JEXWXPPPNKONLU-OAHLLOKOSA-N 1 0 381.318 2.442 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000884346022 653873452 /nfs/dbraw/zinc/87/34/52/653873452.db2.gz WSYRSZCMJFKPCS-HIFRSBDPSA-N 1 0 395.276 2.208 20 0 GEADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000884360285 653874165 /nfs/dbraw/zinc/87/41/65/653874165.db2.gz XUDAWPVAIZKLMT-RKDXNWHRSA-N 1 0 377.080 2.462 20 0 GEADRO CC(C)(C)c1nnc2n1CCN(C(=O)[C@@H]([NH3+])c1ccc(Br)cc1)C2 ZINC000884419098 653876034 /nfs/dbraw/zinc/87/60/34/653876034.db2.gz HGHJTLLFAGKTEB-AWEZNQCLSA-N 1 0 392.301 2.380 20 0 GEADRO CN1C(=O)NCC12CC[NH+](C[C@H](O)COc1ccc(Cl)cc1Cl)CC2 ZINC000823656189 653876133 /nfs/dbraw/zinc/87/61/33/653876133.db2.gz YJMVXMBNRJSVKZ-ZDUSSCGKSA-N 1 0 388.295 2.223 20 0 GEADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1nc(Br)sc1Cl ZINC000823727786 653877863 /nfs/dbraw/zinc/87/78/63/653877863.db2.gz NDJIHGFAOQGCRT-QMMMGPOBSA-N 1 0 382.711 2.136 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000793493915 653879319 /nfs/dbraw/zinc/87/93/19/653879319.db2.gz RDIUMVRRTGJFLA-SNVBAGLBSA-N 1 0 378.514 2.061 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)NCc1sccc1Br ZINC000884544301 653880363 /nfs/dbraw/zinc/88/03/63/653880363.db2.gz CGEQNZIIVKYSRL-UHFFFAOYSA-N 1 0 376.320 2.104 20 0 GEADRO C[C@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)[C@H]1C[N@H+](C)CCN1C ZINC000896532175 653882505 /nfs/dbraw/zinc/88/25/05/653882505.db2.gz AIOKOTIUXJYUTH-AFAVFJNCSA-N 1 0 380.330 2.229 20 0 GEADRO COc1ccc(CCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000896532727 653882661 /nfs/dbraw/zinc/88/26/61/653882661.db2.gz VGODNXSZFFELKH-CXAGYDPISA-N 1 0 398.345 2.141 20 0 GEADRO C[C@@H](NC(=O)c1cc2c(ccc(F)c2Br)[nH]1)[C@H]1C[N@H+](C)CCN1C ZINC000896537475 653882944 /nfs/dbraw/zinc/88/29/44/653882944.db2.gz ZJTHGSCLVXPURV-MEBBXXQBSA-N 1 0 397.292 2.434 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1ccc(I)cc1)CC1CC1 ZINC000824018169 653883658 /nfs/dbraw/zinc/88/36/58/653883658.db2.gz OOEFHWLYRLUWCT-UHFFFAOYSA-N 1 0 379.263 2.206 20 0 GEADRO C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)[C@H]1C[N@H+](C)CCN1C ZINC000896537438 653883214 /nfs/dbraw/zinc/88/32/14/653883214.db2.gz YQEPMKBUBRVKAG-DUVNUKRYSA-N 1 0 396.329 2.066 20 0 GEADRO C[C@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896539761 653883536 /nfs/dbraw/zinc/88/35/36/653883536.db2.gz BPGSDIUHZSEERV-LRDDRELGSA-N 1 0 398.320 2.370 20 0 GEADRO C[C@@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896539861 653883614 /nfs/dbraw/zinc/88/36/14/653883614.db2.gz BPGSDIUHZSEERV-WBMJQRKESA-N 1 0 398.320 2.370 20 0 GEADRO C[C@@H](NC(=O)CCc1cc(F)ccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896547379 653884614 /nfs/dbraw/zinc/88/46/14/653884614.db2.gz DWMYJZYKYSOXKZ-MLGOLLRUSA-N 1 0 386.309 2.271 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c1 ZINC000824084914 653885710 /nfs/dbraw/zinc/88/57/10/653885710.db2.gz IAQXXRCIZQAZRT-LSDHHAIUSA-N 1 0 387.933 2.049 20 0 GEADRO CCO[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000846145264 653888284 /nfs/dbraw/zinc/88/82/84/653888284.db2.gz MNJWAULSNRKZDA-IUODEOHRSA-N 1 0 388.281 2.136 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884774954 653889544 /nfs/dbraw/zinc/88/95/44/653889544.db2.gz VOJSPRQABOYRGQ-MQMHXKEQSA-N 1 0 382.302 2.007 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884774921 653889571 /nfs/dbraw/zinc/88/95/71/653889571.db2.gz UQOKIBWKFGSJBO-YOWGUQMCSA-N 1 0 394.313 2.021 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000896658179 653889668 /nfs/dbraw/zinc/88/96/68/653889668.db2.gz PSJXNEIPVUERDI-SECBINFHSA-N 1 0 378.258 2.029 20 0 GEADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc3onc(Cl)c3c2)CCCO1 ZINC000867190533 653890769 /nfs/dbraw/zinc/89/07/69/653890769.db2.gz DNVBIGJDIBPPMP-LBPRGKRZSA-N 1 0 387.889 2.260 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2cc(Cl)cc(Br)c2)CCS(=O)(=O)C1 ZINC000896683027 653890947 /nfs/dbraw/zinc/89/09/47/653890947.db2.gz LKOAGVSVMYTDMR-CYBMUJFWSA-N 1 0 382.707 2.396 20 0 GEADRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000846214333 653891359 /nfs/dbraw/zinc/89/13/59/653891359.db2.gz VAUMRWJNIRHWGV-CYBMUJFWSA-N 1 0 386.539 2.396 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000846205215 653891418 /nfs/dbraw/zinc/89/14/18/653891418.db2.gz FPEWTYHJUKWUPV-UHFFFAOYSA-N 1 0 383.290 2.035 20 0 GEADRO CC[C@H](Sc1nc(CC(=O)OCC[C@@H]2CCCC[N@@H+]2C)cs1)C(N)=O ZINC000884855229 653891556 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C[NH+](C)CCCOC1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896843889 653896859 /nfs/dbraw/zinc/89/68/59/653896859.db2.gz FOUVWLJPLGBWQX-UHFFFAOYSA-N 1 0 399.333 2.165 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000884950725 653897015 /nfs/dbraw/zinc/89/70/15/653897015.db2.gz QOTWUHATZYWYQP-VXGBXAGGSA-N 1 0 389.880 2.343 20 0 GEADRO O=C(NCC[N@H+]1CC=CCC1)c1cn(-c2ccccc2Br)nn1 ZINC000794117922 653897382 /nfs/dbraw/zinc/89/73/82/653897382.db2.gz FLELIATYNAETAZ-UHFFFAOYSA-N 1 0 376.258 2.022 20 0 GEADRO Cc1ncc([C@H](C)NC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)s1 ZINC000884961431 653898568 /nfs/dbraw/zinc/89/85/68/653898568.db2.gz MCGHFOOFEPUACN-NSHDSACASA-N 1 0 380.901 2.270 20 0 GEADRO COC(=O)c1cnc(CC[NH2+]Cc2cnn3cc(Br)cnc23)s1 ZINC000896930625 653899701 /nfs/dbraw/zinc/89/97/01/653899701.db2.gz RUZDGIQSPGDXDA-UHFFFAOYSA-N 1 0 396.270 2.067 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CCc2ncc(C(=O)OC)s2)C1 ZINC000896933070 653900102 /nfs/dbraw/zinc/90/01/02/653900102.db2.gz WUBPPCOBUMEDAY-WDEREUQCSA-N 1 0 376.425 2.429 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000884977484 653902737 /nfs/dbraw/zinc/90/27/37/653902737.db2.gz UQUJBFADKFQZOD-TVQRCGJNSA-N 1 0 377.794 2.171 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000824692002 653905334 /nfs/dbraw/zinc/90/53/34/653905334.db2.gz YZYYFJMMJCJJCD-UHFFFAOYSA-N 1 0 385.306 2.101 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000846647736 653905595 /nfs/dbraw/zinc/90/55/95/653905595.db2.gz OODDTTJJJUUSHZ-UHFFFAOYSA-N 1 0 379.258 2.390 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000846650186 653905926 /nfs/dbraw/zinc/90/59/26/653905926.db2.gz SOGHGEHZRKAQLF-UHFFFAOYSA-N 1 0 380.242 2.459 20 0 GEADRO Nc1cc(C(=O)NC[C@H]2CCN2Cc2ccccc2)cc(Br)n1 ZINC000824742926 653907098 /nfs/dbraw/zinc/90/70/98/653907098.db2.gz YKGFSDXFVWEPKS-CQSZACIVSA-N 1 0 375.270 2.431 20 0 GEADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)([NH+](C)C)C1 ZINC000846726194 653907583 /nfs/dbraw/zinc/90/75/83/653907583.db2.gz SDUWGZZGIAXUMS-NKGKWGDASA-N 1 0 375.916 2.434 20 0 GEADRO CN1CCN(c2ncnc3cc(F)c(Br)cc32)CC[N@H+](C)CC1 ZINC000897095868 653907705 /nfs/dbraw/zinc/90/77/05/653907705.db2.gz VXPVTMUOTPPXRA-UHFFFAOYSA-N 1 0 382.281 2.215 20 0 GEADRO Cc1cnc(Cl)c(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000885063662 653910017 /nfs/dbraw/zinc/91/00/17/653910017.db2.gz KZMSDRFMZAMAEW-GJZGRUSLSA-N 1 0 387.933 2.090 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CCOCC1 ZINC000824897142 653911595 /nfs/dbraw/zinc/91/15/95/653911595.db2.gz OPFAXKXYPOOXBF-UHFFFAOYSA-N 1 0 381.416 2.311 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000867309169 653913275 /nfs/dbraw/zinc/91/32/75/653913275.db2.gz QXLQFIGIHIPTAO-KWQFWETISA-N 1 0 382.711 2.211 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1Cl ZINC000867309568 653913309 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C[C@H]([NH2+]CCc1ccnn1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794815370 653921464 /nfs/dbraw/zinc/92/14/64/653921464.db2.gz OWMWBQCVSOBKHA-VIFPVBQESA-N 1 0 377.297 2.268 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000897452155 653922518 /nfs/dbraw/zinc/92/25/18/653922518.db2.gz VGQKTDOZHIIFJU-LBPRGKRZSA-N 1 0 390.347 2.356 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885284871 653922686 /nfs/dbraw/zinc/92/26/86/653922686.db2.gz JPZYWYPZSKUCPZ-NSHDSACASA-N 1 0 394.249 2.313 20 0 GEADRO Cc1cc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)cc(Cl)n1 ZINC000825284523 653923829 /nfs/dbraw/zinc/92/38/29/653923829.db2.gz NMWXJPKMVVVJID-UHFFFAOYSA-N 1 0 387.864 2.341 20 0 GEADRO O=C(C[NH+]1CCCC1)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000825298557 653924254 /nfs/dbraw/zinc/92/42/54/653924254.db2.gz URUOIQNADIQZQL-ZDUSSCGKSA-N 1 0 382.302 2.302 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000847312555 653924519 /nfs/dbraw/zinc/92/45/19/653924519.db2.gz QGHXVSOUPODTSF-CABCVRRESA-N 1 0 382.302 2.420 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000897506072 653924873 /nfs/dbraw/zinc/92/48/73/653924873.db2.gz UHHAPPKMTCBPQO-ABAIWWIYSA-N 1 0 388.281 2.405 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897524645 653925585 /nfs/dbraw/zinc/92/55/85/653925585.db2.gz AHIKPVCOVNZSHA-RISCZKNCSA-N 1 0 383.286 2.356 20 0 GEADRO Cn1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C(F)(F)F ZINC000867386883 653926162 /nfs/dbraw/zinc/92/61/62/653926162.db2.gz OLRKMEBEVQBNPH-UHFFFAOYSA-N 1 0 396.460 2.253 20 0 GEADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000867400129 653926983 /nfs/dbraw/zinc/92/69/83/653926983.db2.gz UAJFELCIJXMXCN-UHFFFAOYSA-N 1 0 394.324 2.264 20 0 GEADRO C[NH+](C)CCNC(=S)NCc1ccc(I)cc1Cl ZINC000795034728 653927097 /nfs/dbraw/zinc/92/70/97/653927097.db2.gz RBGCCHZRZQGTCA-UHFFFAOYSA-N 1 0 397.713 2.470 20 0 GEADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1c(Br)nc2n1CCC2 ZINC000825379755 653927342 /nfs/dbraw/zinc/92/73/42/653927342.db2.gz SDDYYQLYXLCFFU-AWEZNQCLSA-N 1 0 391.313 2.495 20 0 GEADRO COc1ccc(Br)c(CN(C)C(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000897565843 653927805 /nfs/dbraw/zinc/92/78/05/653927805.db2.gz XNAUFKSXMJQADD-AWEZNQCLSA-N 1 0 383.286 2.137 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(Cl)c(Br)c1 ZINC000847441647 653928951 /nfs/dbraw/zinc/92/89/51/653928951.db2.gz AVCKGHWYBKSMQU-NSHDSACASA-N 1 0 376.682 2.338 20 0 GEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1nc(F)ccc1Br ZINC000847447772 653929016 /nfs/dbraw/zinc/92/90/16/653929016.db2.gz UIMNQUXYJBKMIJ-UHFFFAOYSA-N 1 0 386.265 2.358 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000897590899 653929185 /nfs/dbraw/zinc/92/91/85/653929185.db2.gz QKWANTFHZSKSBF-QAPCUYQASA-N 1 0 392.297 2.157 20 0 GEADRO O=C(N[C@H]1CSc2ccc(Br)cc21)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897594174 653929215 /nfs/dbraw/zinc/92/92/15/653929215.db2.gz RZXLPRAFEOJFJE-OCCSQVGLSA-N 1 0 383.311 2.433 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc3sccc3nc2Cl)C1 ZINC000825436100 653929360 /nfs/dbraw/zinc/92/93/60/653929360.db2.gz NQJCTBPRMOXRLP-NSHDSACASA-N 1 0 380.901 2.267 20 0 GEADRO Cc1nc(Cl)c(Cl)cc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000847477939 653930128 /nfs/dbraw/zinc/93/01/28/653930128.db2.gz OQXCDCGSBPZEDZ-UHFFFAOYSA-N 1 0 387.311 2.369 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)N(C)Cc1cscc1Br)C1CC1 ZINC000897632908 653931494 /nfs/dbraw/zinc/93/14/94/653931494.db2.gz WMERHUVWGHKNFC-UHFFFAOYSA-N 1 0 388.331 2.070 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000847539435 653933171 /nfs/dbraw/zinc/93/31/71/653933171.db2.gz PLTLGTNGYFZEPV-LBPRGKRZSA-N 1 0 378.416 2.394 20 0 GEADRO O=C(c1cccnc1I)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825558323 653933506 /nfs/dbraw/zinc/93/35/06/653933506.db2.gz GSLJBSKFEHNEIX-YPMHNXCESA-N 1 0 385.249 2.290 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)Cc1ncsc1Br ZINC000885459223 653933661 /nfs/dbraw/zinc/93/36/61/653933661.db2.gz DGDKMEQGOFTDHW-MNOVXSKESA-N 1 0 394.360 2.294 20 0 GEADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897696531 653933773 /nfs/dbraw/zinc/93/37/73/653933773.db2.gz NFTGAQNMFHXTSH-HOTGVXAUSA-N 1 0 380.286 2.132 20 0 GEADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)N2CCCC2)c(Cl)c1 ZINC000897830782 653939415 /nfs/dbraw/zinc/93/94/15/653939415.db2.gz NUTFRARQHCYBPE-CQSZACIVSA-N 1 0 387.933 2.381 20 0 GEADRO C[C@@]1(CS(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1(Cl)Cl ZINC000867496761 653940694 /nfs/dbraw/zinc/94/06/94/653940694.db2.gz KZATZKHJWFXKBV-HNNXBMFYSA-N 1 0 399.384 2.381 20 0 GEADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)nc1F ZINC000867497238 653941050 /nfs/dbraw/zinc/94/10/50/653941050.db2.gz QSZHGTARUODZNH-UHFFFAOYSA-N 1 0 391.896 2.043 20 0 GEADRO C[NH+](C)[C@]1(CNc2ccc(Br)cc2-c2nn[nH]n2)CCSC1 ZINC000825851648 653942291 /nfs/dbraw/zinc/94/22/91/653942291.db2.gz WXSHMHYHKGFURW-AWEZNQCLSA-N 1 0 383.319 2.478 20 0 GEADRO C[C@@H](O)CN1CCN(C(=O)c2nc(Br)sc2Cl)[C@@H](C)C1 ZINC000867524876 653944956 /nfs/dbraw/zinc/94/49/56/653944956.db2.gz LEWYUFARPBBXNN-JGVFFNPUSA-N 1 0 382.711 2.086 20 0 GEADRO CN(C[C@H](O)c1ccccc1Br)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897938351 653945064 /nfs/dbraw/zinc/94/50/64/653945064.db2.gz QKCFRKQLRBSAJD-KRWDZBQOSA-N 1 0 397.313 2.052 20 0 GEADRO CC(=O)N[C@@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1cccc(Br)c1 ZINC000867526468 653945358 /nfs/dbraw/zinc/94/53/58/653945358.db2.gz ROOWHJLZQSWOBR-BZUAXINKSA-N 1 0 382.302 2.225 20 0 GEADRO C[C@@H](NC(=O)Cc1ccccc1S(=O)(=O)C(F)F)C(C)(C)C[NH+](C)C ZINC000826068700 653946103 /nfs/dbraw/zinc/94/61/03/653946103.db2.gz KJOALYHLKIUXDV-GFCCVEGCSA-N 1 0 376.469 2.318 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000847841267 653946717 /nfs/dbraw/zinc/94/67/17/653946717.db2.gz CKTNRUZFGNZOOL-JTQLQIEISA-N 1 0 390.709 2.415 20 0 GEADRO CCOC(=O)C1CCC([NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897978042 653947221 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O=C(c1cnc(CCC(F)(F)F)s1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000826570661 653953553 /nfs/dbraw/zinc/95/35/53/653953553.db2.gz UOBCSGFTDHRAOC-LBPRGKRZSA-N 1 0 377.432 2.309 20 0 GEADRO Ic1cnc(C[NH2+][C@@H]2CCOC23CCOCC3)s1 ZINC000898116617 653954331 /nfs/dbraw/zinc/95/43/31/653954331.db2.gz SJKROMBYCJYBSN-SECBINFHSA-N 1 0 380.251 2.175 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)ncc1Br ZINC000848025466 653955808 /nfs/dbraw/zinc/95/58/08/653955808.db2.gz VAKMWWIMYPNAJS-SNVBAGLBSA-N 1 0 378.698 2.320 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(C)cc1F ZINC000867581419 653955957 /nfs/dbraw/zinc/95/59/57/653955957.db2.gz KIPMRUYTZYGBPK-UHFFFAOYSA-N 1 0 376.469 2.252 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)cc(Br)c1O ZINC000898159283 653956239 /nfs/dbraw/zinc/95/62/39/653956239.db2.gz UAHLQFQWBIZQQY-LLVKDONJSA-N 1 0 395.257 2.027 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000826663044 653956562 /nfs/dbraw/zinc/95/65/62/653956562.db2.gz 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Cc1nc(NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)sc1SCC(N)=O ZINC000826901639 653965623 /nfs/dbraw/zinc/96/56/23/653965623.db2.gz ADJVXVSOEOOAJU-JTQLQIEISA-N 1 0 399.929 2.414 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898379466 653965685 /nfs/dbraw/zinc/96/56/85/653965685.db2.gz GPQQEALGBNWIGQ-XZJROXQQSA-N 1 0 397.313 2.477 20 0 GEADRO O=C(c1cc2ccc(Br)cc2c(=O)o1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000826949265 653967321 /nfs/dbraw/zinc/96/73/21/653967321.db2.gz HFOWPTUFTMREEX-CYBMUJFWSA-N 1 0 377.238 2.476 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1cc(C)cnc1Cl)CCS2(=O)=O ZINC000898482090 653972570 /nfs/dbraw/zinc/97/25/70/653972570.db2.gz SNZMRPKTGDGYNL-XOYHFGRZSA-N 1 0 386.901 2.032 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C1 ZINC000795869479 653972983 /nfs/dbraw/zinc/97/29/83/653972983.db2.gz UOBRMCHISOXCIW-NSHDSACASA-N 1 0 392.880 2.371 20 0 GEADRO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000795877692 653973927 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COC[C@H]([NH2+]Cc1ncc(I)s1)[C@@H]1CCCOC1 ZINC000886357846 653979644 /nfs/dbraw/zinc/97/96/44/653979644.db2.gz MLGYENOAPSEGLS-ZJUUUORDSA-N 1 0 382.267 2.279 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)CC[C@H]21 ZINC000827234511 653982441 /nfs/dbraw/zinc/98/24/41/653982441.db2.gz YASQXRAWBPVGMS-YYQUZTFQSA-N 1 0 394.313 2.474 20 0 GEADRO Fc1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)ccc1-n1cncn1 ZINC000898725449 653983076 /nfs/dbraw/zinc/98/30/76/653983076.db2.gz DKJQWMZCOYOKRN-GFCCVEGCSA-N 1 0 391.248 2.470 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848510918 653984785 /nfs/dbraw/zinc/98/47/85/653984785.db2.gz XZOJOARIJOOSER-CABCVRRESA-N 1 0 386.901 2.422 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH]nc1I ZINC000898781755 653985974 /nfs/dbraw/zinc/98/59/74/653985974.db2.gz DFCULQUWYARJQN-SNVBAGLBSA-N 1 0 388.253 2.151 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000898785940 653985985 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CC(=O)N[C@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1cccc(Br)c1 ZINC000867971575 654011900 /nfs/dbraw/zinc/01/19/00/654011900.db2.gz RYBSRJBHQOMMFU-CJTUPEFNSA-N 1 0 382.302 2.129 20 0 GEADRO COc1cc(I)ccc1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000867969772 654011942 /nfs/dbraw/zinc/01/19/42/654011942.db2.gz SEOSPYZIXRQOGI-GFCCVEGCSA-N 1 0 386.233 2.266 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)c1cccc(Br)c1 ZINC000867975109 654012233 /nfs/dbraw/zinc/01/22/33/654012233.db2.gz HZWCBRHNTXYOOY-ZBFHGGJFSA-N 1 0 375.270 2.239 20 0 GEADRO CC(=O)N[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000867973221 654012276 /nfs/dbraw/zinc/01/22/76/654012276.db2.gz UNGBAVROXVUVSP-HZPDHXFCSA-N 1 0 382.302 2.275 20 0 GEADRO CC(C)n1ncc(C(=O)NCCC[C@H]2CCC[NH2+]2)c1I ZINC000867973058 654012283 /nfs/dbraw/zinc/01/22/83/654012283.db2.gz PTQPMRUUEGNTJL-LLVKDONJSA-N 1 0 390.269 2.331 20 0 GEADRO C[C@@]1(NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC[NH2+]C1 ZINC000886983678 654012378 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GEADRO C[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C1CC[NH2+]CC1 ZINC000868014129 654014379 /nfs/dbraw/zinc/01/43/79/654014379.db2.gz HBIWHAMFPCDQAL-NSHDSACASA-N 1 0 383.286 2.267 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(Br)cn2)C[C@@H](C)O1 ZINC000868022413 654014601 /nfs/dbraw/zinc/01/46/01/654014601.db2.gz MVUYHSOIKACZJR-CHWSQXEVSA-N 1 0 385.306 2.143 20 0 GEADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000868031531 654015248 /nfs/dbraw/zinc/01/52/48/654015248.db2.gz KATAEWSPPUXGAX-IUODEOHRSA-N 1 0 390.285 2.244 20 0 GEADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000868031532 654015278 /nfs/dbraw/zinc/01/52/78/654015278.db2.gz KATAEWSPPUXGAX-SWLSCSKDSA-N 1 0 390.285 2.244 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CN1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000849354301 654015410 /nfs/dbraw/zinc/01/54/10/654015410.db2.gz QCXKHNJWBKCAME-DOMZBBRYSA-N 1 0 396.285 2.153 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887042116 654016194 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ZINC000901255128 654116973 /nfs/dbraw/zinc/11/69/73/654116973.db2.gz IALRAPCXFLGOEA-NSHDSACASA-N 1 0 387.311 2.307 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000830450231 654118904 /nfs/dbraw/zinc/11/89/04/654118904.db2.gz CUKQOYKIHTUPSX-UHFFFAOYSA-N 1 0 383.539 2.401 20 0 GEADRO CN1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC[N@H+](C)CC1 ZINC000888995629 654119286 /nfs/dbraw/zinc/11/92/86/654119286.db2.gz XJQBQTQAVCYRCG-UHFFFAOYSA-N 1 0 379.302 2.250 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=S)NCC[NH+](C)C ZINC000799904110 654119364 /nfs/dbraw/zinc/11/93/64/654119364.db2.gz KBNJRUPPTFCKNM-UHFFFAOYSA-N 1 0 391.368 2.368 20 0 GEADRO COc1cc(NC(=O)c2ccnn2CC[NH+](C)C)cc(OC)c1Br ZINC000901329781 654120845 /nfs/dbraw/zinc/12/08/45/654120845.db2.gz IKVRSTZMVWUFSE-UHFFFAOYSA-N 1 0 397.273 2.477 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000869776550 654122503 /nfs/dbraw/zinc/12/25/03/654122503.db2.gz MPROZKGFVIWGNZ-UONOGXRCSA-N 1 0 397.313 2.277 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869782809 654124222 /nfs/dbraw/zinc/12/42/22/654124222.db2.gz SHQHPQJOWVGWBY-OLZOCXBDSA-N 1 0 385.302 2.178 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000889157788 654126691 /nfs/dbraw/zinc/12/66/91/654126691.db2.gz GJZSOLXSXMNHCV-RLCCDNCMSA-N 1 0 395.297 2.329 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000830593744 654128533 /nfs/dbraw/zinc/12/85/33/654128533.db2.gz GXWNPQANZUGFOH-IAQYHMDHSA-N 1 0 375.296 2.330 20 0 GEADRO Cn1nc(C(F)(F)F)c(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1Cl ZINC000889205508 654130901 /nfs/dbraw/zinc/13/09/01/654130901.db2.gz PWEDYXKDAJHNMY-VIFPVBQESA-N 1 0 383.802 2.061 20 0 GEADRO O=C(OCCC[NH+]1CCCC1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000800138614 654131911 /nfs/dbraw/zinc/13/19/11/654131911.db2.gz UQZFHVWBYBUYNL-HNNXBMFYSA-N 1 0 386.539 2.320 20 0 GEADRO O=C(OCCC[NH+]1CCCCC1)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000800156641 654133196 /nfs/dbraw/zinc/13/31/96/654133196.db2.gz SZYKCYPDYJWEKP-UHFFFAOYSA-N 1 0 380.388 2.408 20 0 GEADRO CC[NH+](CC)CCCOC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000800177426 654135411 /nfs/dbraw/zinc/13/54/11/654135411.db2.gz GFSMAPUUVFCKJC-UHFFFAOYSA-N 1 0 382.262 2.314 20 0 GEADRO C[NH+]1CCN(CC2CN(S(=O)(=O)Cc3cc(Cl)sc3Cl)C2)CC1 ZINC000917892176 654137254 /nfs/dbraw/zinc/13/72/54/654137254.db2.gz XHXNHNKOXBUOPS-UHFFFAOYSA-N 1 0 398.381 2.064 20 0 GEADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NCc1ccccc1F ZINC000901728899 654143913 /nfs/dbraw/zinc/14/39/13/654143913.db2.gz OUDPVNZWDSVJJT-AAEUAGOBSA-N 1 0 395.276 2.394 20 0 GEADRO O=C1[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)CCN1c1ccccc1F ZINC000901728087 654143994 /nfs/dbraw/zinc/14/39/94/654143994.db2.gz JXBRRGGENWIFSO-WCQYABFASA-N 1 0 393.260 2.495 20 0 GEADRO O=C1N[C@H]2C[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)CC[C@@H]2CO1 ZINC000830959175 654152873 /nfs/dbraw/zinc/15/28/73/654152873.db2.gz AJDSAQOJEPUWMB-SUNKGSAMSA-N 1 0 375.252 2.163 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1occc1Br ZINC000918511035 654153614 /nfs/dbraw/zinc/15/36/14/654153614.db2.gz AWTNIZQKNOAGCJ-UHFFFAOYSA-N 1 0 395.319 2.021 20 0 GEADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000831001027 654155466 /nfs/dbraw/zinc/15/54/66/654155466.db2.gz NERCMRJDCWWZES-UHFFFAOYSA-N 1 0 396.738 2.460 20 0 GEADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)CCc1ccccc1Br)CC2 ZINC000918899760 654165247 /nfs/dbraw/zinc/16/52/47/654165247.db2.gz JXZZKNOFSZNBFP-UHFFFAOYSA-N 1 0 396.310 2.357 20 0 GEADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCc2[nH+]ccc(N)c2C1 ZINC000918900442 654165396 /nfs/dbraw/zinc/16/53/96/654165396.db2.gz SHHOBJUEZJMJIC-UHFFFAOYSA-N 1 0 382.283 2.482 20 0 GEADRO O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889750643 654167057 /nfs/dbraw/zinc/16/70/57/654167057.db2.gz QDJLOUBLOFLMFY-CHWSQXEVSA-N 1 0 383.279 2.312 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000851661162 654168205 /nfs/dbraw/zinc/16/82/05/654168205.db2.gz FZVLMXMHZWUCCD-MRXNPFEDSA-N 1 0 393.359 2.250 20 0 GEADRO O=C(c1cc(Br)cnc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889769037 654171270 /nfs/dbraw/zinc/17/12/70/654171270.db2.gz IZTLGJLESPWVIL-OLZOCXBDSA-N 1 0 388.693 2.169 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000831217203 654172006 /nfs/dbraw/zinc/17/20/06/654172006.db2.gz QGMXJIRRFIKLAM-ZIAGYGMSSA-N 1 0 399.384 2.318 20 0 GEADRO CCN1C[C@H](C[N@H+](C)CCn2cnc(Br)n2)Oc2ccccc21 ZINC000851718451 654172215 /nfs/dbraw/zinc/17/22/15/654172215.db2.gz XUCFQDWLBAJEPH-ZDUSSCGKSA-N 1 0 380.290 2.260 20 0 GEADRO C[N@H+](CCOc1ccc(Br)cc1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851723508 654172826 /nfs/dbraw/zinc/17/28/26/654172826.db2.gz YZXDCSVTJYCEDE-SFHVURJKSA-N 1 0 393.281 2.133 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000851736193 654173463 /nfs/dbraw/zinc/17/34/63/654173463.db2.gz HIXXLCPVNLVGPM-INIZCTEOSA-N 1 0 376.434 2.295 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000851743113 654173940 /nfs/dbraw/zinc/17/39/40/654173940.db2.gz ZEBOKCZLLRSMFX-ZBFHGGJFSA-N 1 0 378.450 2.444 20 0 GEADRO CC[N@H+](CCn1cnc(Br)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000851750382 654174391 /nfs/dbraw/zinc/17/43/91/654174391.db2.gz DWEBMAIPGVWVBM-UHFFFAOYSA-N 1 0 380.290 2.265 20 0 GEADRO COCC[N@H+](CCOc1ccc(F)cc1)CCn1cnc(Br)n1 ZINC000851765606 654175260 /nfs/dbraw/zinc/17/52/60/654175260.db2.gz WYDZYGDIMMAMJR-UHFFFAOYSA-N 1 0 387.253 2.207 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1C[C@@]1(C)Br ZINC000870487030 654178216 /nfs/dbraw/zinc/17/82/16/654178216.db2.gz KYBUFLHNISYLMB-JRPNMDOOSA-N 1 0 379.295 2.158 20 0 GEADRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1(C)C ZINC000831332524 654178952 /nfs/dbraw/zinc/17/89/52/654178952.db2.gz KBCYLKPKPCQOSK-OLZOCXBDSA-N 1 0 376.425 2.025 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000801166731 654180461 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OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2Cn1nc(Cc2cccs2)oc1=S ZINC000902643041 654190241 /nfs/dbraw/zinc/19/02/41/654190241.db2.gz KDNRIRMXORQVDR-LSDHHAIUSA-N 1 0 380.539 2.346 20 0 GEADRO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1cnn(C)c1I ZINC000870783670 654195866 /nfs/dbraw/zinc/19/58/66/654195866.db2.gz ATVUVCQZFGFRGX-QWRGUYRKSA-N 1 0 391.253 2.444 20 0 GEADRO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1c(I)cnn1C ZINC000870787558 654196240 /nfs/dbraw/zinc/19/62/40/654196240.db2.gz XKGUCEIPDWCVSI-QWRGUYRKSA-N 1 0 391.253 2.444 20 0 GEADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000831678071 654198371 /nfs/dbraw/zinc/19/83/71/654198371.db2.gz SCHDDNNYNOCKSU-KRWDZBQOSA-N 1 0 390.285 2.246 20 0 GEADRO Cc1nc(Cl)ccc1S(=O)(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000851881051 654199238 /nfs/dbraw/zinc/19/92/38/654199238.db2.gz WPUQCPKKVZMQKK-AWEZNQCLSA-N 1 0 387.933 2.307 20 0 GEADRO CCO[C@H](CNC(=O)[C@H](OC)c1ccc(Br)s1)C[NH+](C)C ZINC000831695282 654200354 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387.571 2.177 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870876816 654202023 /nfs/dbraw/zinc/20/20/23/654202023.db2.gz OAZKKXOKYLSOSN-UHFFFAOYSA-N 1 0 380.286 2.344 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)c2nonc21 ZINC000851894942 654202452 /nfs/dbraw/zinc/20/24/52/654202452.db2.gz QLKRNPFDJQZROY-LBPRGKRZSA-N 1 0 384.889 2.277 20 0 GEADRO CC[NH+](CC)CCOC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000920088709 654202635 /nfs/dbraw/zinc/20/26/35/654202635.db2.gz IARVZUCCBHQSGO-LLVKDONJSA-N 1 0 397.269 2.319 20 0 GEADRO CC[NH+](CC)CCOC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000920088712 654202867 /nfs/dbraw/zinc/20/28/67/654202867.db2.gz IARVZUCCBHQSGO-NSHDSACASA-N 1 0 397.269 2.319 20 0 GEADRO COC(=O)N1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000920093551 654203385 /nfs/dbraw/zinc/20/33/85/654203385.db2.gz XMRGSYLTFCKQSD-CQSZACIVSA-N 1 0 387.274 2.009 20 0 GEADRO COC(=O)Cc1csc(N(C)C(=O)c2csc(C3CC[NH2+]CC3)n2)n1 ZINC000870887445 654203407 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CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1sccc1Cl)C2 ZINC000920273044 654207221 /nfs/dbraw/zinc/20/72/21/654207221.db2.gz AZOOJHNMODNZHM-BHPKHCPMSA-N 1 0 378.947 2.160 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)cc(Cl)c1)C2 ZINC000920273272 654207263 /nfs/dbraw/zinc/20/72/63/654207263.db2.gz FSCCTMKUWXMKEY-QBPKDAKJSA-N 1 0 390.908 2.237 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C2 ZINC000920273018 654207290 /nfs/dbraw/zinc/20/72/90/654207290.db2.gz ANLWOQZXUPLNRW-TVFCKZIOSA-N 1 0 386.945 2.239 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCN(c2ccc(F)cn2)CC1)c1cccc(Br)c1 ZINC000870912447 654207245 /nfs/dbraw/zinc/20/72/45/654207245.db2.gz HYVLNNWIGMJIPQ-MRXNPFEDSA-N 1 0 393.260 2.332 20 0 GEADRO Cc1ncc2c(n1)CC[C@@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)C2 ZINC000870917760 654207816 /nfs/dbraw/zinc/20/78/16/654207816.db2.gz ZYSWCVSPNHASON-GDBMZVCRSA-N 1 0 375.270 2.221 20 0 GEADRO Cc1cccc(Cl)c1S(=O)(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920273718 654208178 /nfs/dbraw/zinc/20/81/78/654208178.db2.gz JVQJJNYQBZTFHN-XYVMCAHJSA-N 1 0 386.945 2.406 20 0 GEADRO C[C@H](CNC(=O)N1CCn2ncc(Br)c2C1)[N@@H+]1CCCC[C@@H]1C ZINC000851958338 654208355 /nfs/dbraw/zinc/20/83/55/654208355.db2.gz BFAXMWDPCMMJIA-QWHCGFSZSA-N 1 0 384.322 2.434 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C2 ZINC000920281454 654208591 /nfs/dbraw/zinc/20/85/91/654208591.db2.gz BKONZMHOVLDFQH-WCXIOVBPSA-N 1 0 390.908 2.237 20 0 GEADRO CC(C)[C@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[NH+]1CCC(C)CC1 ZINC000851959778 654208947 /nfs/dbraw/zinc/20/89/47/654208947.db2.gz WPJCDVSZEGOSCZ-HWRSSNJWSA-N 1 0 385.496 2.353 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1cccc(Br)c1 ZINC000870936658 654209219 /nfs/dbraw/zinc/20/92/19/654209219.db2.gz AIPYJQUNJTWCFK-HZPDHXFCSA-N 1 0 384.318 2.458 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000870933840 654209260 /nfs/dbraw/zinc/20/92/60/654209260.db2.gz YMXXMAMKPKORDB-XJKSGUPXSA-N 1 0 382.302 2.084 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1I ZINC000870936557 654209346 /nfs/dbraw/zinc/20/93/46/654209346.db2.gz MHCGBTHQENCJQB-QWRGUYRKSA-N 1 0 390.269 2.268 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCCC(C)(F)F)C2)[C@H]1C(C)C ZINC000920311345 654209546 /nfs/dbraw/zinc/20/95/46/654209546.db2.gz VTJUJEJTQPQNDR-ANQUJSFKSA-N 1 0 382.517 2.211 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2cn(C)nn2)cc1Br ZINC000903012909 654209850 /nfs/dbraw/zinc/20/98/50/654209850.db2.gz VOPUYZPQBSSBNX-AAEUAGOBSA-N 1 0 383.290 2.088 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC000851980872 654210188 /nfs/dbraw/zinc/21/01/88/654210188.db2.gz LWOHUQXPMBYCQK-ODZUORAKSA-N 1 0 385.496 2.355 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1I ZINC000870943147 654211120 /nfs/dbraw/zinc/21/11/20/654211120.db2.gz YFAGAWLAJCFKEU-NSHDSACASA-N 1 0 390.269 2.270 20 0 GEADRO C[C@]12CC[N@H+](CC[C@H]3CCNC3=O)C[C@H]1C2(Br)Br ZINC000852334805 654233113 /nfs/dbraw/zinc/23/31/13/654233113.db2.gz AYPBSQMXQRMMPC-FOGDFJRCSA-N 1 0 380.124 2.341 20 0 GEADRO [NH3+]CC1(O)CCN(C(=O)c2ccc(OC(F)(F)F)cc2Br)CC1 ZINC000870948143 654213481 /nfs/dbraw/zinc/21/34/81/654213481.db2.gz NRYDYCPAHSJMCB-UHFFFAOYSA-N 1 0 397.191 2.274 20 0 GEADRO NC(=O)[C@@](O)(C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1)c1ccccc1 ZINC000852021337 654213690 /nfs/dbraw/zinc/21/36/90/654213690.db2.gz FIBLYZXFYUJKGI-SJLPKXTDSA-N 1 0 390.281 2.354 20 0 GEADRO O=C(CCC12CC(C1)C[NH2+]2)NCCc1ccc(I)cc1 ZINC000870956404 654214206 /nfs/dbraw/zinc/21/42/06/654214206.db2.gz VCZHKDBTVSAROV-UHFFFAOYSA-N 1 0 384.261 2.482 20 0 GEADRO COC[C@@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1cccc(Br)c1 ZINC000871009099 654215755 /nfs/dbraw/zinc/21/57/55/654215755.db2.gz BRTNPSJFQMZXLA-BLLLJJGKSA-N 1 0 393.285 2.367 20 0 GEADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000903087745 654215816 /nfs/dbraw/zinc/21/58/16/654215816.db2.gz IAMYWWVQBUXBAP-CQSZACIVSA-N 1 0 394.324 2.173 20 0 GEADRO O=C(c1cc(F)c(Cl)cc1Cl)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871002380 654215887 /nfs/dbraw/zinc/21/58/87/654215887.db2.gz NKDISVVYMHUJQI-PCTYZZJISA-N 1 0 388.226 2.140 20 0 GEADRO C[C@H]1C[C@@H](C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC[N@@H+]1C ZINC000890346840 654216365 /nfs/dbraw/zinc/21/63/65/654216365.db2.gz DKMNKVAIBZMCGA-DUVNUKRYSA-N 1 0 394.313 2.179 20 0 GEADRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903127259 654219189 /nfs/dbraw/zinc/21/91/89/654219189.db2.gz HNCCTQMZQSPAFG-NSHDSACASA-N 1 0 399.456 2.456 20 0 GEADRO COC(=O)c1cn(C[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)nn1 ZINC000920757670 654220425 /nfs/dbraw/zinc/22/04/25/654220425.db2.gz FPTPDPUHWQYXQA-CQSZACIVSA-N 1 0 379.258 2.492 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1cccc(F)c1Br ZINC000890441295 654220487 /nfs/dbraw/zinc/22/04/87/654220487.db2.gz GEGPYWIHTPAIDR-QWHCGFSZSA-N 1 0 384.249 2.222 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CCC1(C)C ZINC000871156070 654221904 /nfs/dbraw/zinc/22/19/04/654221904.db2.gz MTINNVDXBBXNHW-UHFFFAOYSA-N 1 0 396.285 2.336 20 0 GEADRO CN(C)Cc1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1Br ZINC000831993207 654223085 /nfs/dbraw/zinc/22/30/85/654223085.db2.gz POZYSSZMHXHHBJ-UHFFFAOYSA-N 1 0 378.274 2.132 20 0 GEADRO C[NH+]1CCN(C[C@H](NC(=O)NCC2SCCS2)c2ccccc2)CC1 ZINC000852182444 654224105 /nfs/dbraw/zinc/22/41/05/654224105.db2.gz WTDPGUKHLKXKTG-INIZCTEOSA-N 1 0 380.583 2.080 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCn2ncc(Br)c2C1 ZINC000852187909 654224136 /nfs/dbraw/zinc/22/41/36/654224136.db2.gz VQNFLJFHOWUNLF-STQMWFEESA-N 1 0 384.322 2.291 20 0 GEADRO OC[C@H](C[NH2+][C@@H]1CCO[C@@]12CCOC2)Cc1cc(Br)ccc1F ZINC000903185296 654224991 /nfs/dbraw/zinc/22/49/91/654224991.db2.gz CWFCEZAWNKDFDE-JCURWCKSSA-N 1 0 388.277 2.277 20 0 GEADRO O[C@@H]1CCC[N@H+](CCn2cnc(Br)n2)[C@@H]1CCc1ccccc1 ZINC000852207237 654225443 /nfs/dbraw/zinc/22/54/43/654225443.db2.gz CBUIQDLNWOHPFN-HZPDHXFCSA-N 1 0 379.302 2.499 20 0 GEADRO O[C@H]1CCC[N@H+](CCn2cnc(Br)n2)[C@@H]1CCc1ccccc1 ZINC000852207235 654225547 /nfs/dbraw/zinc/22/55/47/654225547.db2.gz CBUIQDLNWOHPFN-CVEARBPZSA-N 1 0 379.302 2.499 20 0 GEADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903225570 654228491 /nfs/dbraw/zinc/22/84/91/654228491.db2.gz JIZQXMDPIPPYIV-LLVKDONJSA-N 1 0 386.461 2.283 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(-c2ccncc2)c1 ZINC000903229528 654229850 /nfs/dbraw/zinc/22/98/50/654229850.db2.gz IKAXQTLUBZCAMF-CQSZACIVSA-N 1 0 381.523 2.457 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000852289048 654230338 /nfs/dbraw/zinc/23/03/38/654230338.db2.gz JXUJLRLDWAYPQU-CQSZACIVSA-N 1 0 384.322 2.291 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NCc2cc(N(C)C)cc[nH+]2)cc1Cl ZINC000921017573 654232147 /nfs/dbraw/zinc/23/21/47/654232147.db2.gz MEOMFFMDNAMXOI-UHFFFAOYSA-N 1 0 385.873 2.297 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000921017100 654232290 /nfs/dbraw/zinc/23/22/90/654232290.db2.gz CADKEJSZHIQGEE-UHFFFAOYSA-N 1 0 383.857 2.066 20 0 GEADRO O=C(NCCn1cc(Br)cn1)NCC1CC[NH+](CC2CC2)CC1 ZINC000852333664 654232652 /nfs/dbraw/zinc/23/26/52/654232652.db2.gz SBQOFIIOLGEGRJ-UHFFFAOYSA-N 1 0 384.322 2.067 20 0 GEADRO CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903345203 654234899 /nfs/dbraw/zinc/23/48/99/654234899.db2.gz YTAJRCNAMSYBQG-HIFRSBDPSA-N 1 0 376.469 2.444 20 0 GEADRO CO[C@@]1(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CCS(=O)(=O)C1 ZINC000903362264 654235211 /nfs/dbraw/zinc/23/52/11/654235211.db2.gz CVYTUBCQTCDVGH-DZGCQCFKSA-N 1 0 392.290 2.369 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000921088502 654235190 /nfs/dbraw/zinc/23/51/90/654235190.db2.gz MDCHMSMFWOGZSG-ZDUSSCGKSA-N 1 0 378.344 2.123 20 0 GEADRO Cn1nnnc1CCC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000903352527 654235365 /nfs/dbraw/zinc/23/53/65/654235365.db2.gz WQXPXNDZJPYOAQ-CJNGLKHVSA-N 1 0 380.290 2.273 20 0 GEADRO COC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000903365965 654236134 /nfs/dbraw/zinc/23/61/34/654236134.db2.gz BNUSZGNSVQBNAA-CABCVRRESA-N 1 0 381.416 2.186 20 0 GEADRO CC[C@H]([NH2+][C@H]1CCCN(CC)C1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903386851 654237569 /nfs/dbraw/zinc/23/75/69/654237569.db2.gz BNCJZGLNEHCAEG-GJZGRUSLSA-N 1 0 387.933 2.300 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000852414981 654238069 /nfs/dbraw/zinc/23/80/69/654238069.db2.gz XKIPYMGNTHOQOH-GUTXKFCHSA-N 1 0 392.677 2.230 20 0 GEADRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000852430906 654238406 /nfs/dbraw/zinc/23/84/06/654238406.db2.gz NLJOGQWJMZUHSD-RYUDHWBXSA-N 1 0 375.252 2.260 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000903426035 654238988 /nfs/dbraw/zinc/23/89/88/654238988.db2.gz BKMSMBFGKNALHT-QWHCGFSZSA-N 1 0 392.352 2.427 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1cccnc1Cl)CCS2(=O)=O ZINC000903451028 654239480 /nfs/dbraw/zinc/23/94/80/654239480.db2.gz BSFYRTDKLLBDIT-GWUZIGMUSA-N 1 0 386.901 2.285 20 0 GEADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1sccc1OC)CCS2(=O)=O ZINC000903451542 654239536 /nfs/dbraw/zinc/23/95/36/654239536.db2.gz GXNOSZJGMZVMOH-GWUZIGMUSA-N 1 0 387.523 2.306 20 0 GEADRO C[C@@](O)(C[N@@H+]1CC[C@H](N2CCOC2=O)C1)c1ccc(Br)cc1F ZINC000852439493 654240162 /nfs/dbraw/zinc/24/01/62/654240162.db2.gz DGHVVSHMXKSBRU-BLLLJJGKSA-N 1 0 387.249 2.322 20 0 GEADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccc(-n2cnnn2)cc1 ZINC000903480636 654240320 /nfs/dbraw/zinc/24/03/20/654240320.db2.gz YVTIMVKOQPNUJW-AAEUAGOBSA-N 1 0 388.273 2.287 20 0 GEADRO O=C(NCC[S@](=O)CC(F)(F)F)NC1CCC([NH+]2CCCCC2)CC1 ZINC000852453015 654240776 /nfs/dbraw/zinc/24/07/76/654240776.db2.gz AGBDDVYCRFKNNP-UEBCHDTQSA-N 1 0 383.480 2.394 20 0 GEADRO [NH3+]CC[C@@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc21)C(F)F ZINC000903504287 654242343 /nfs/dbraw/zinc/24/23/43/654242343.db2.gz UMFVLBUJGVZTPB-SECBINFHSA-N 1 0 382.230 2.191 20 0 GEADRO CC1([NH+]2CCCC2)CCC(NS(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000921282103 654242409 /nfs/dbraw/zinc/24/24/09/654242409.db2.gz VCZNQAAIMFULRR-UHFFFAOYSA-N 1 0 376.473 2.224 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC[C@@H]1C(F)(F)F ZINC000903512093 654243937 /nfs/dbraw/zinc/24/39/37/654243937.db2.gz JZUGALOOXPJTCQ-KCJUWKMLSA-N 1 0 396.822 2.364 20 0 GEADRO C[C@H](NS(=O)(=O)Cc1cccc(F)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000903513251 654244660 /nfs/dbraw/zinc/24/46/60/654244660.db2.gz ZSIXRVSFMNYTHI-WDEREUQCSA-N 1 0 379.295 2.396 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000903513564 654244791 /nfs/dbraw/zinc/24/47/91/654244791.db2.gz OWRVTZNLCMKRPA-MNOVXSKESA-N 1 0 379.295 2.477 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1F ZINC000903513694 654244875 /nfs/dbraw/zinc/24/48/75/654244875.db2.gz SZTKYOJPRJOVMN-ZJUUUORDSA-N 1 0 395.294 2.345 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903514961 654245510 /nfs/dbraw/zinc/24/55/10/654245510.db2.gz ZOIMFYDSVBNCCM-CQSZACIVSA-N 1 0 377.279 2.103 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H](O)c2ccc(Br)cc2)nn1)C1CCOCC1 ZINC000871618316 654246440 /nfs/dbraw/zinc/24/64/40/654246440.db2.gz DEXVHUHZSJKFQC-HOTGVXAUSA-N 1 0 381.274 2.201 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c1F ZINC000903517089 654246506 /nfs/dbraw/zinc/24/65/06/654246506.db2.gz DWESRVAJDGJWJF-UHFFFAOYSA-N 1 0 393.278 2.145 20 0 GEADRO CC1(CNS(=O)(=O)Cc2cccc(F)c2Br)CC[NH2+]CC1 ZINC000903518693 654246834 /nfs/dbraw/zinc/24/68/34/654246834.db2.gz PPAQRLZVTMTUSA-UHFFFAOYSA-N 1 0 379.295 2.397 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc32)CC[C@H]1C(F)(F)F ZINC000903519150 654247245 /nfs/dbraw/zinc/24/72/45/654247245.db2.gz BSHQZRIEJCRJRV-ZJUUUORDSA-N 1 0 382.795 2.117 20 0 GEADRO COc1cc(Br)c(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1OC ZINC000832225574 654248564 /nfs/dbraw/zinc/24/85/64/654248564.db2.gz NNPRPJOWFSQDLA-NWDGAFQWSA-N 1 0 383.286 2.490 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(I)cc3F)C[C@@H]2C1 ZINC000832226314 654248755 /nfs/dbraw/zinc/24/87/55/654248755.db2.gz WJLFUDIFWLLKTG-MNOVXSKESA-N 1 0 388.224 2.454 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCn2ncc(Br)c2C1 ZINC000852602763 654248790 /nfs/dbraw/zinc/24/87/90/654248790.db2.gz POYKRKBMEOCWNJ-ZDUSSCGKSA-N 1 0 384.322 2.291 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000921330261 654249392 /nfs/dbraw/zinc/24/93/92/654249392.db2.gz FXIFEPMOEMJEPQ-UONOGXRCSA-N 1 0 384.322 2.307 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903538253 654251957 /nfs/dbraw/zinc/25/19/57/654251957.db2.gz AFILUEUSRXHYRY-WCQGTBRESA-N 1 0 398.198 2.326 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000903543264 654252556 /nfs/dbraw/zinc/25/25/56/654252556.db2.gz VPMBBVLYNPQGGM-UHFFFAOYSA-N 1 0 386.823 2.487 20 0 GEADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1C(F)(F)F ZINC000903547337 654253696 /nfs/dbraw/zinc/25/36/96/654253696.db2.gz UCZANYLMCAEBDM-LBPRGKRZSA-N 1 0 378.416 2.142 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000903550563 654254370 /nfs/dbraw/zinc/25/43/70/654254370.db2.gz JDXSWTWSNNGOSW-GDBMZVCRSA-N 1 0 397.294 2.361 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(Br)c2)C1 ZINC000903569813 654257471 /nfs/dbraw/zinc/25/74/71/654257471.db2.gz QJTLBQJTUXCWCL-GVJMRKKJSA-N 1 0 398.120 2.227 20 0 GEADRO Cc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903570200 654257599 /nfs/dbraw/zinc/25/75/99/654257599.db2.gz VAQOKEMXZOQPNH-NXEZZACHSA-N 1 0 387.221 2.268 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000903569947 654257615 /nfs/dbraw/zinc/25/76/15/654257615.db2.gz RSPHTDCEFAUTSH-UMSPYCQHSA-N 1 0 377.304 2.254 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000903570920 654257890 /nfs/dbraw/zinc/25/78/90/654257890.db2.gz ISNOIOCSNFQLJR-XWEPSHTISA-N 1 0 387.221 2.484 20 0 GEADRO COc1ccsc1S(=O)(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903574074 654259231 /nfs/dbraw/zinc/25/92/31/654259231.db2.gz OBCWDPJZICPFPQ-DYVFJYSZSA-N 1 0 380.491 2.291 20 0 GEADRO O=C(CC[C@H]1CC1(Cl)Cl)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000852771778 654259934 /nfs/dbraw/zinc/25/99/34/654259934.db2.gz CTAMPGQCOVYSGY-IHRRRGAJSA-N 1 0 376.328 2.067 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@@H]3CSCCS3)C2)[C@H]1C(C)C ZINC000921390884 654260314 /nfs/dbraw/zinc/26/03/14/654260314.db2.gz XDTKRUUUPVNGJZ-HBPKQKSZSA-N 1 0 387.615 2.004 20 0 GEADRO CC[NH2+]CCCNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852792813 654260658 /nfs/dbraw/zinc/26/06/58/654260658.db2.gz FCZXXGMIMYEDBW-UHFFFAOYSA-N 1 0 398.248 2.206 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC[C@@H]1C(F)(F)F ZINC000903578616 654260812 /nfs/dbraw/zinc/26/08/12/654260812.db2.gz IOODSIBDMSHTQD-POYBYMJQSA-N 1 0 378.203 2.289 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC[C@H]1C(F)(F)F ZINC000903578863 654261078 /nfs/dbraw/zinc/26/10/78/654261078.db2.gz KSFHDPMMSZJZBG-BDAKNGLRSA-N 1 0 377.310 2.001 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cscc2Br)CC[C@H]1C(F)(F)F ZINC000903581609 654261968 /nfs/dbraw/zinc/26/19/68/654261968.db2.gz NLQQEKOLTIQBIT-SVRRBLITSA-N 1 0 393.250 2.411 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871806208 654261240 /nfs/dbraw/zinc/26/12/40/654261240.db2.gz YSFCLTHYOSOONA-LBPRGKRZSA-N 1 0 399.822 2.125 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)NCCC[C@@H]3CCC[NH2+]3)cc2N1 ZINC000871807080 654261659 /nfs/dbraw/zinc/26/16/59/654261659.db2.gz JWXAFECKIGGTRJ-ZDUSSCGKSA-N 1 0 385.917 2.425 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)=NO1 ZINC000852835674 654262631 /nfs/dbraw/zinc/26/26/31/654262631.db2.gz QYHMQMWQMCXIQV-RTHLEPHNSA-N 1 0 376.215 2.136 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@@H]1C(F)(F)F ZINC000871812660 654263195 /nfs/dbraw/zinc/26/31/95/654263195.db2.gz BECGLZUWKJMZRJ-APPZFPTMSA-N 1 0 392.321 2.185 20 0 GEADRO [NH3+]C[C@H]1CC(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)=NO1 ZINC000852845365 654263421 /nfs/dbraw/zinc/26/34/21/654263421.db2.gz VMQHRDWGYOMPHI-CQSZACIVSA-N 1 0 380.286 2.481 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)C[C@H]1C(F)(F)F ZINC000871813170 654263562 /nfs/dbraw/zinc/26/35/62/654263562.db2.gz OTDVSCOKJIOUCY-GMSGAONNSA-N 1 0 383.779 2.239 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000871815491 654264326 /nfs/dbraw/zinc/26/43/26/654264326.db2.gz WCDDBAMQUVOFEY-TVQRCGJNSA-N 1 0 379.707 2.333 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cc(Br)sc1Cl)C2 ZINC000871814573 654264438 /nfs/dbraw/zinc/26/44/38/654264438.db2.gz BITYBUQGQODVBU-WRWORJQWSA-N 1 0 385.736 2.394 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000903589393 654264447 /nfs/dbraw/zinc/26/44/47/654264447.db2.gz ARVHJVPBNKONDK-UHFFFAOYSA-N 1 0 389.587 2.071 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000903590301 654264738 /nfs/dbraw/zinc/26/47/38/654264738.db2.gz TXYTZJSIIFAZTF-UHFFFAOYSA-N 1 0 377.304 2.270 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000903590275 654264745 /nfs/dbraw/zinc/26/47/45/654264745.db2.gz RQEAKAHJPDHATJ-UHFFFAOYSA-N 1 0 378.336 2.134 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@]12CC[NH2+]C2 ZINC000903592070 654265187 /nfs/dbraw/zinc/26/51/87/654265187.db2.gz KWJCBRWHFCBARF-CQSZACIVSA-N 1 0 377.279 2.246 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871820499 654265626 /nfs/dbraw/zinc/26/56/26/654265626.db2.gz PPZIQEFVCIUTDY-KGLIPLIRSA-N 1 0 393.278 2.160 20 0 GEADRO O=C(C=C1CC[NH2+]CC1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000852891741 654265616 /nfs/dbraw/zinc/26/56/16/654265616.db2.gz XGAOECLLLDLIMK-UHFFFAOYSA-N 1 0 377.242 2.425 20 0 GEADRO O=C(C=C1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000852893084 654265921 /nfs/dbraw/zinc/26/59/21/654265921.db2.gz DHXRRMGMNSTOSL-UHFFFAOYSA-N 1 0 378.314 2.403 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871821936 654266151 /nfs/dbraw/zinc/26/61/51/654266151.db2.gz BTYHUKBXMHELMS-GOEBONIOSA-N 1 0 379.592 2.359 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC000903598555 654266112 /nfs/dbraw/zinc/26/61/12/654266112.db2.gz CAIUEGLDTJREFK-UHFFFAOYSA-N 1 0 380.491 2.177 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)c1 ZINC000903598558 654266123 /nfs/dbraw/zinc/26/61/23/654266123.db2.gz CHEXSSAJOWAHJZ-UHFFFAOYSA-N 1 0 380.491 2.177 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H]3CCC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852902019 654266925 /nfs/dbraw/zinc/26/69/25/654266925.db2.gz ZTNRUPPYYDUKJX-FOGDFJRCSA-N 1 0 380.124 2.341 20 0 GEADRO C[C@]12CCN(C(=O)CC[NH2+]C3CC3)C[C@H]1C2(Br)Br ZINC000852901957 654267182 /nfs/dbraw/zinc/26/71/82/654267182.db2.gz XKQVUKCJEIPGLM-PWSUYJOCSA-N 1 0 380.124 2.483 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000852919752 654268379 /nfs/dbraw/zinc/26/83/79/654268379.db2.gz AUTRZLDVJNBVHW-OLZOCXBDSA-N 1 0 387.933 2.098 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000852912344 654268476 /nfs/dbraw/zinc/26/84/76/654268476.db2.gz KCIQJPORBDOLMF-MLGOLLRUSA-N 1 0 387.933 2.228 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000852919781 654268774 /nfs/dbraw/zinc/26/87/74/654268774.db2.gz BRORWQKISFYPRH-ZDUSSCGKSA-N 1 0 387.933 2.242 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000852919753 654268781 /nfs/dbraw/zinc/26/87/81/654268781.db2.gz AUTRZLDVJNBVHW-QWHCGFSZSA-N 1 0 387.933 2.098 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000832496742 654270301 /nfs/dbraw/zinc/27/03/01/654270301.db2.gz YNRHEFPEUCIVIZ-VXGBXAGGSA-N 1 0 398.248 2.151 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2cnn(C)c2Br)(C(F)(F)F)CC1 ZINC000891211123 654271806 /nfs/dbraw/zinc/27/18/06/654271806.db2.gz CGZBQBNFDOYRAK-UHFFFAOYSA-N 1 0 383.212 2.329 20 0 GEADRO CC[NH+]1CCC(NC(=O)C2CCC(S(C)(=O)=O)CC2)(C(F)(F)F)CC1 ZINC000891212879 654272476 /nfs/dbraw/zinc/27/24/76/654272476.db2.gz WVVOUOVSCGMRPT-UHFFFAOYSA-N 1 0 384.464 2.123 20 0 GEADRO Fc1ccc([C@@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)cc1 ZINC000921482776 654272921 /nfs/dbraw/zinc/27/29/21/654272921.db2.gz VLJLKTGHKAXYAV-CQSZACIVSA-N 1 0 383.265 2.474 20 0 GEADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1c(Cl)nc2sccn21)c1cccnc1 ZINC000921482259 654273089 /nfs/dbraw/zinc/27/30/89/654273089.db2.gz HEOPHZUCBQYSLN-LBPRGKRZSA-N 1 0 399.929 2.416 20 0 GEADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000891259611 654277427 /nfs/dbraw/zinc/27/74/27/654277427.db2.gz QSIGDZOWILWPMN-YWPYICTPSA-N 1 0 384.464 2.121 20 0 GEADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000853081764 654278038 /nfs/dbraw/zinc/27/80/38/654278038.db2.gz VMWJIAGVAYOQLM-ZETCQYMHSA-N 1 0 396.616 2.008 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccccn2)CCN1c1cccc(Br)c1 ZINC000853102927 654279227 /nfs/dbraw/zinc/27/92/27/654279227.db2.gz IAXOEPGHQJXVSW-JKSUJKDBSA-N 1 0 376.254 2.273 20 0 GEADRO O=C(N[C@@H]1CCOC2(CCSCC2)C1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921553347 654280150 /nfs/dbraw/zinc/28/01/50/654280150.db2.gz BNTGLRKKYPRWSP-OWCLPIDISA-N 1 0 385.599 2.310 20 0 GEADRO CN(Cc1ccc(Cl)cc1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903713725 654280544 /nfs/dbraw/zinc/28/05/44/654280544.db2.gz ARBMEUAEBFHMNT-CHWSQXEVSA-N 1 0 377.794 2.037 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC[NH2+]C(C)C)ccc1Cl ZINC000832606440 654280542 /nfs/dbraw/zinc/28/05/42/654280542.db2.gz HNTJUESTKPRDSO-UHFFFAOYSA-N 1 0 389.949 2.488 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000903781549 654283255 /nfs/dbraw/zinc/28/32/55/654283255.db2.gz VNFUEDSYXOWRPA-NSHDSACASA-N 1 0 388.331 2.070 20 0 GEADRO CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1(C[NH3+])CCOCC1 ZINC000903804270 654283827 /nfs/dbraw/zinc/28/38/27/654283827.db2.gz DHQKVDNHSODPOV-UHFFFAOYSA-N 1 0 377.819 2.320 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCN2CC(=O)Nc1ccccc1I ZINC000903853088 654287586 /nfs/dbraw/zinc/28/75/86/654287586.db2.gz DIUUETGHPFVTHM-IAQYHMDHSA-N 1 0 385.249 2.043 20 0 GEADRO O=C(NCc1csc(Br)c1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891372214 654290131 /nfs/dbraw/zinc/29/01/31/654290131.db2.gz RZHTYYGBUOXQLL-GFCCVEGCSA-N 1 0 388.331 2.469 20 0 GEADRO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903904172 654291089 /nfs/dbraw/zinc/29/10/89/654291089.db2.gz QHHRWTWXKLTJSQ-GOEBONIOSA-N 1 0 375.847 2.154 20 0 GEADRO [NH3+][C@@H](CC(F)F)CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000903904157 654291113 /nfs/dbraw/zinc/29/11/13/654291113.db2.gz PZCDDSSHNRNNAS-JQWIXIFHSA-N 1 0 391.260 2.477 20 0 GEADRO O=C1NCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1cccc(Br)c1 ZINC000903910210 654291455 /nfs/dbraw/zinc/29/14/55/654291455.db2.gz KQMFHFSJXPCNSQ-WPENSMPRSA-N 1 0 378.314 2.453 20 0 GEADRO Brc1ccc2c(c1)OCCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903933209 654292482 /nfs/dbraw/zinc/29/24/82/654292482.db2.gz LZCVNGKICLWXIP-HNNXBMFYSA-N 1 0 392.301 2.360 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903967285 654293020 /nfs/dbraw/zinc/29/30/20/654293020.db2.gz BRMVRWWSNOYLOV-CYBMUJFWSA-N 1 0 393.372 2.037 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000891424833 654293100 /nfs/dbraw/zinc/29/31/00/654293100.db2.gz BMQUGELVUFYKIF-NFAWXSAZSA-N 1 0 381.318 2.312 20 0 GEADRO O=C(NCc1sccc1Br)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891459123 654294452 /nfs/dbraw/zinc/29/44/52/654294452.db2.gz APPVUYWLVNRBDC-LLVKDONJSA-N 1 0 388.331 2.469 20 0 GEADRO CCN(C(=O)NCCC(=O)Nc1ccc(Br)cc1C)[C@H]1CC[NH2+]C1 ZINC000891482560 654296800 /nfs/dbraw/zinc/29/68/00/654296800.db2.gz MKPZLZBRYZHNFY-AWEZNQCLSA-N 1 0 397.317 2.480 20 0 GEADRO COc1cc(Br)c(CNC(=O)NCc2cc(N)cc[nH+]2)cc1OC ZINC000891494180 654297550 /nfs/dbraw/zinc/29/75/50/654297550.db2.gz JOAVODKITWXVFF-UHFFFAOYSA-N 1 0 395.257 2.443 20 0 GEADRO CCO[C@@H](CNS(=O)(=O)c1ccc(-c2csc(C)n2)s1)C[NH+](C)C ZINC000921643231 654297710 /nfs/dbraw/zinc/29/77/10/654297710.db2.gz MNXIGKOCNXEYFG-LBPRGKRZSA-N 1 0 389.568 2.425 20 0 GEADRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([S@](C)=O)cc1 ZINC000921646881 654298578 /nfs/dbraw/zinc/29/85/78/654298578.db2.gz WSLKJFDXXZDEDT-SNAURXSHSA-N 1 0 381.567 2.364 20 0 GEADRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([S@@](C)=O)cc1 ZINC000921646880 654298752 /nfs/dbraw/zinc/29/87/52/654298752.db2.gz WSLKJFDXXZDEDT-OPBXQEHLSA-N 1 0 381.567 2.364 20 0 GEADRO CCn1c(CNCC[N@H+](C)CCOC)nc(Br)c1Br ZINC000921657988 654299898 /nfs/dbraw/zinc/29/98/98/654299898.db2.gz IMUGGAHASQARKM-UHFFFAOYSA-N 1 0 398.143 2.096 20 0 GEADRO C[N@@H+]1CC[C@H](Cc2nc(CNC(=O)c3ccc(Br)cc3)no2)C1 ZINC000904073222 654300317 /nfs/dbraw/zinc/30/03/17/654300317.db2.gz DMFOPKJMIDVVJS-LLVKDONJSA-N 1 0 379.258 2.256 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Cl)c(Cl)c3)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904080950 654300493 /nfs/dbraw/zinc/30/04/93/654300493.db2.gz AFPHDMZLMWVESF-OUJBWJOFSA-N 1 0 388.276 2.219 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc4sccc4c3)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904093219 654301247 /nfs/dbraw/zinc/30/12/47/654301247.db2.gz OIYIHOQFKNMTMY-YDHLFZDLSA-N 1 0 375.475 2.126 20 0 GEADRO Brc1cc2c(cc1Cc1noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n1)OCO2 ZINC000904102952 654301716 /nfs/dbraw/zinc/30/17/16/654301716.db2.gz ITXDAOPXQPWQKI-HFBDOXOYSA-N 1 0 378.226 2.475 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Cl)cc3Cl)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904110024 654301998 /nfs/dbraw/zinc/30/19/98/654301998.db2.gz KSPQWXXHHYIJKW-KDDOJWQBSA-N 1 0 388.276 2.219 20 0 GEADRO COC(=O)c1cc(Br)cc(OC(=O)COC2CC[NH+](C)CC2)c1 ZINC000904159524 654304051 /nfs/dbraw/zinc/30/40/51/654304051.db2.gz ZTKREGGABYINKT-UHFFFAOYSA-N 1 0 386.242 2.252 20 0 GEADRO Cc1cc(NC(=O)CN2CCN(c3cc[nH+]c(C)c3Br)CC2)no1 ZINC000891647609 654305026 /nfs/dbraw/zinc/30/50/26/654305026.db2.gz YNHJEUZDTIZWJJ-UHFFFAOYSA-N 1 0 394.273 2.210 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000853590213 654306734 /nfs/dbraw/zinc/30/67/34/654306734.db2.gz TXXMWMZCODZXRK-UHFFFAOYSA-N 1 0 384.322 2.293 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(I)c1 ZINC000904276607 654306770 /nfs/dbraw/zinc/30/67/70/654306770.db2.gz UKZWTQXNINHLIJ-CYBMUJFWSA-N 1 0 389.237 2.133 20 0 GEADRO Cc1cc(C[NH2+]C2CCN(CCO)CC2)c(C)cc1I ZINC000921700375 654307483 /nfs/dbraw/zinc/30/74/83/654307483.db2.gz PFJVCHOHGMHECB-UHFFFAOYSA-N 1 0 388.293 2.454 20 0 GEADRO Nc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000904337435 654307577 /nfs/dbraw/zinc/30/75/77/654307577.db2.gz YVUJEDUFEOBPKN-LLVKDONJSA-N 1 0 391.273 2.067 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2nc3c(s2)CCCC3)C[C@H]1C(F)(F)F ZINC000891733137 654308760 /nfs/dbraw/zinc/30/87/60/654308760.db2.gz YJGLNLVXLHUJOQ-WDEREUQCSA-N 1 0 376.448 2.343 20 0 GEADRO CCOCCOc1ccc(Br)cc1CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904402546 654309295 /nfs/dbraw/zinc/30/92/95/654309295.db2.gz RQZCLJGAWHQTRE-KRWDZBQOSA-N 1 0 387.318 2.150 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000921717015 654310357 /nfs/dbraw/zinc/31/03/57/654310357.db2.gz PCBJOYXBYMMFRP-UHFFFAOYSA-N 1 0 380.436 2.124 20 0 GEADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000921718744 654310758 /nfs/dbraw/zinc/31/07/58/654310758.db2.gz LOJKIFSXXHMSMS-NQVMDJNJSA-N 1 0 385.555 2.385 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)NC2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000921720627 654311287 /nfs/dbraw/zinc/31/12/87/654311287.db2.gz DHYWWVJEZLWFER-UHFFFAOYSA-N 1 0 385.555 2.070 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)nc12 ZINC000891791632 654311955 /nfs/dbraw/zinc/31/19/55/654311955.db2.gz QKTDAOOBXXTQHB-YOEHRIQHSA-N 1 0 392.301 2.489 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c1Br ZINC000904474323 654312219 /nfs/dbraw/zinc/31/22/19/654312219.db2.gz YDPDAFKFSBOYFT-QFYYESIMSA-N 1 0 381.274 2.072 20 0 GEADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CCO1 ZINC000872068914 654313480 /nfs/dbraw/zinc/31/34/80/654313480.db2.gz KUHQBHOMXNSVQU-BBRMVZONSA-N 1 0 376.469 2.426 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000872114763 654313907 /nfs/dbraw/zinc/31/39/07/654313907.db2.gz BQYQYQPQCRGSEC-UHFFFAOYSA-N 1 0 389.934 2.079 20 0 GEADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)nnn1-c1cccc(Br)c1 ZINC000872142191 654314512 /nfs/dbraw/zinc/31/45/12/654314512.db2.gz LYUFFRJBYPLFAP-VCTAVGKDSA-N 1 0 381.274 2.139 20 0 GEADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=[NH2+])NOCc1csc(Cl)n1 ZINC000853682056 654314657 /nfs/dbraw/zinc/31/46/57/654314657.db2.gz JQUIHKUTZBLMMX-SNVBAGLBSA-N 1 0 376.866 2.431 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872152423 654314742 /nfs/dbraw/zinc/31/47/42/654314742.db2.gz RAYFTIDDLIPDNE-USWWRNFRSA-N 1 0 380.208 2.045 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149961 654314779 /nfs/dbraw/zinc/31/47/79/654314779.db2.gz PSTWCVHHJDQSFO-NYRNMGCKSA-N 1 0 398.198 2.184 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872152422 654314972 /nfs/dbraw/zinc/31/49/72/654314972.db2.gz RAYFTIDDLIPDNE-JLLWLGSASA-N 1 0 380.208 2.045 20 0 GEADRO C[C@@H](O)CN1CCN(c2cc(Br)cnc2Br)[C@@H](C)C1 ZINC000804624110 654315614 /nfs/dbraw/zinc/31/56/14/654315614.db2.gz JYGADDLVYHRUDZ-VHSXEESVSA-N 1 0 393.123 2.498 20 0 GEADRO C[NH+](C)C[C@H](N)c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000872178246 654315626 /nfs/dbraw/zinc/31/56/26/654315626.db2.gz TVXQPQANJOTDAV-LBPRGKRZSA-N 1 0 397.273 2.146 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=S)N=NC3c3ccc(Cl)cc3)C[C@@H]21 ZINC000834315317 654315666 /nfs/dbraw/zinc/31/56/66/654315666.db2.gz ZOYOWHRMGYEETE-OCCSQVGLSA-N 1 0 377.901 2.050 20 0 GEADRO C[C@]1(c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)C[NH2+]CCO1 ZINC000872177741 654315700 /nfs/dbraw/zinc/31/57/00/654315700.db2.gz NCJUBNSPPYWPRK-MRXNPFEDSA-N 1 0 396.241 2.029 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000891866009 654315735 /nfs/dbraw/zinc/31/57/35/654315735.db2.gz YJMVXUHMTWIZLB-KRWDZBQOSA-N 1 0 387.571 2.448 20 0 GEADRO COc1cc(Br)ccc1-c1noc([C@@H]2CCCN(CC[NH3+])C2=O)n1 ZINC000904674667 654315791 /nfs/dbraw/zinc/31/57/91/654315791.db2.gz NJOJZCMKCHPHNR-LBPRGKRZSA-N 1 0 395.257 2.172 20 0 GEADRO COc1ccc(Br)cc1C1(c2noc([C@@H](N)C[NH+](C)C)n2)CC1 ZINC000872184708 654316088 /nfs/dbraw/zinc/31/60/88/654316088.db2.gz XQDDUKSDDPOIMO-LBPRGKRZSA-N 1 0 381.274 2.482 20 0 GEADRO COc1nc(-c2noc(-c3ccc4n3CC[NH2+][C@@H]4C)n2)ncc1Br ZINC000904684218 654316243 /nfs/dbraw/zinc/31/62/43/654316243.db2.gz VMRHGIPQCSUMJF-MRVPVSSYSA-N 1 0 391.229 2.430 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cn1 ZINC000891869139 654316277 /nfs/dbraw/zinc/31/62/77/654316277.db2.gz VNEDENSKYIGOHW-JSGCOSHPSA-N 1 0 397.317 2.363 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000891882636 654316504 /nfs/dbraw/zinc/31/65/04/654316504.db2.gz AOOGXCLXDQKXBO-MGCOHNPYSA-N 1 0 393.656 2.481 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000872217609 654316963 /nfs/dbraw/zinc/31/69/63/654316963.db2.gz BCINVUIXDPFINP-SWLSCSKDSA-N 1 0 375.282 2.056 20 0 GEADRO O[C@H](CC[NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000872214954 654317039 /nfs/dbraw/zinc/31/70/39/654317039.db2.gz LAYSJWNUBJNUAR-XJKSGUPXSA-N 1 0 378.296 2.299 20 0 GEADRO CC(C)(O)CN1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000872217666 654317387 /nfs/dbraw/zinc/31/73/87/654317387.db2.gz CHLUFFYUQIXAQL-HNNXBMFYSA-N 1 0 384.318 2.213 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000834341660 654317596 /nfs/dbraw/zinc/31/75/96/654317596.db2.gz ZDSQRIOWMBJGAE-QWHCGFSZSA-N 1 0 387.933 2.085 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccccc1Br ZINC000872221141 654318021 /nfs/dbraw/zinc/31/80/21/654318021.db2.gz WJNXNYBJODQDQT-NWDGAFQWSA-N 1 0 379.180 2.467 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1c(Br)cncc1Br ZINC000891929513 654319145 /nfs/dbraw/zinc/31/91/45/654319145.db2.gz LICCISHQRWVXAP-SFYZADRCSA-N 1 0 392.095 2.238 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000834357521 654319133 /nfs/dbraw/zinc/31/91/33/654319133.db2.gz LMCSDZODEFMYTH-QMTHXVAHSA-N 1 0 396.734 2.334 20 0 GEADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853767816 654319902 /nfs/dbraw/zinc/31/99/02/654319902.db2.gz SACMLXBCECWHLL-MRXNPFEDSA-N 1 0 394.313 2.146 20 0 GEADRO CCN1CCN(C(=O)CC2CC[NH+](C[C@H]3C[C@]3(C)Br)CC2)CC1 ZINC000891949657 654320140 /nfs/dbraw/zinc/32/01/40/654320140.db2.gz VSXYQFBLPBLUQS-AEFFLSMTSA-N 1 0 386.378 2.426 20 0 GEADRO C[NH+]1CCC(OCC(=O)Oc2cc(F)cc(I)c2)CC1 ZINC000904862286 654321665 /nfs/dbraw/zinc/32/16/65/654321665.db2.gz LWFYXFMYANTJBA-UHFFFAOYSA-N 1 0 393.196 2.447 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCCC2SCCS2)C1 ZINC000853797019 654321785 /nfs/dbraw/zinc/32/17/85/654321785.db2.gz DAQBIJDHBUXYGY-AWEZNQCLSA-N 1 0 378.629 2.389 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H](O)c2cnn(C)c2)c(C)cc1I ZINC000921780202 654321861 /nfs/dbraw/zinc/32/18/61/654321861.db2.gz DRJLFHUDLFHEGZ-OAHLLOKOSA-N 1 0 385.249 2.465 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(CO)(C(F)(F)F)CC2)cc1 ZINC000921781569 654322028 /nfs/dbraw/zinc/32/20/28/654322028.db2.gz ZVWKAPBMIZCQLN-UHFFFAOYSA-N 1 0 380.432 2.074 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N[C@H]2CC[NH2+]C23CCCC3)C(F)(F)F)n1 ZINC000904928378 654324628 /nfs/dbraw/zinc/32/46/28/654324628.db2.gz MQFHVTXBCGPJPG-XHDPSFHLSA-N 1 0 377.432 2.382 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000892024920 654325658 /nfs/dbraw/zinc/32/56/58/654325658.db2.gz SPRMDRJUXIZIQF-DZGCQCFKSA-N 1 0 376.284 2.112 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905024402 654326932 /nfs/dbraw/zinc/32/69/32/654326932.db2.gz LNWUUHTZWZPKBH-HNNXBMFYSA-N 1 0 381.325 2.431 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCC1=CC[NH2+]CC1 ZINC000892064732 654327015 /nfs/dbraw/zinc/32/70/15/654327015.db2.gz DZOFIQBRZWXRLQ-HNNXBMFYSA-N 1 0 388.295 2.294 20 0 GEADRO CC(C)(CNC(=O)NCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000892059002 654327031 /nfs/dbraw/zinc/32/70/31/654327031.db2.gz QZIIZCDNEYIYJJ-UHFFFAOYSA-N 1 0 398.345 2.483 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cccn2c(I)cnc12 ZINC000834466383 654328058 /nfs/dbraw/zinc/32/80/58/654328058.db2.gz VHIQOKKIPKBAKB-NSHDSACASA-N 1 0 398.248 2.153 20 0 GEADRO O=C(NCC[NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccc(Br)cc1 ZINC000905058711 654328561 /nfs/dbraw/zinc/32/85/61/654328561.db2.gz IWJIFFJUYVUBGQ-INIZCTEOSA-N 1 0 399.329 2.072 20 0 GEADRO C[C@H]1c2sccc2CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000892108047 654328974 /nfs/dbraw/zinc/32/89/74/654328974.db2.gz PDGNNKOEKDBYDU-WCQYABFASA-N 1 0 376.448 2.213 20 0 GEADRO Cc1nc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)sc1Br ZINC000921832580 654329013 /nfs/dbraw/zinc/32/90/13/654329013.db2.gz ARZQGXIVWBKKCB-ZJUUUORDSA-N 1 0 382.349 2.022 20 0 GEADRO C[C@](O)(C[NH2+]CCCS(=O)(=O)c1ccccc1)C(F)(F)C(F)(F)F ZINC000905064440 654329078 /nfs/dbraw/zinc/32/90/78/654329078.db2.gz JQQLXNYANCILRT-LBPRGKRZSA-N 1 0 375.359 2.389 20 0 GEADRO C[C@](O)(C[NH2+]Cc1cccc(CS(C)(=O)=O)c1)C(F)(F)C(F)(F)F ZINC000905080534 654329784 /nfs/dbraw/zinc/32/97/84/654329784.db2.gz MUSVAOPVIDRZJW-LBPRGKRZSA-N 1 0 375.359 2.269 20 0 GEADRO CC1CC[NH+](C[C@H]2CCCN(c3nc(Cl)ccc3S(N)(=O)=O)C2)CC1 ZINC000892158657 654332080 /nfs/dbraw/zinc/33/20/80/654332080.db2.gz DQLLKHNEOZBXBO-CQSZACIVSA-N 1 0 386.949 2.331 20 0 GEADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000892187778 654333272 /nfs/dbraw/zinc/33/32/72/654333272.db2.gz MVJIJTBPLJGBSM-WMHQRMGPSA-N 1 0 382.302 2.170 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CSc3ccccc3O2)C[C@H]1C(F)(F)F ZINC000892199570 654333834 /nfs/dbraw/zinc/33/38/34/654333834.db2.gz BDNAVUITSSZJIZ-GRYCIOLGSA-N 1 0 375.416 2.318 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC000892215576 654334317 /nfs/dbraw/zinc/33/43/17/654334317.db2.gz YGNKALQLIHWGJE-SWLSCSKDSA-N 1 0 395.301 2.123 20 0 GEADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C1=O ZINC000905147605 654334448 /nfs/dbraw/zinc/33/44/48/654334448.db2.gz LEONDYVZVXJXCK-HYSWKAIVSA-N 1 0 386.279 2.337 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872444099 654337241 /nfs/dbraw/zinc/33/72/41/654337241.db2.gz LQQLNHLYGKKZTE-HSZRJFAPSA-N 1 0 375.560 2.321 20 0 GEADRO CN1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC[N@H+](C)CC1 ZINC000892270015 654337942 /nfs/dbraw/zinc/33/79/42/654337942.db2.gz BSIUXHFMHQPWGA-QGZVFWFLSA-N 1 0 395.345 2.325 20 0 GEADRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3nc(Br)c[nH]3)cc21 ZINC000921887945 654338070 /nfs/dbraw/zinc/33/80/70/654338070.db2.gz HGDIUOGCMQJTNE-UHFFFAOYSA-N 1 0 380.246 2.254 20 0 GEADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)CCO2 ZINC000905201777 654338512 /nfs/dbraw/zinc/33/85/12/654338512.db2.gz PHLUBWWHIMIYSD-UHOFOFEASA-N 1 0 394.320 2.353 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C[C@]1(O)CCOC1 ZINC000905203257 654338614 /nfs/dbraw/zinc/33/86/14/654338614.db2.gz PPYXWOFCBZIQGR-RVSPLBMKSA-N 1 0 375.296 2.064 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905203369 654338677 /nfs/dbraw/zinc/33/86/77/654338677.db2.gz VRVXZRFYUGBICZ-WQVCFCJDSA-N 1 0 388.302 2.017 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC000872454962 654340626 /nfs/dbraw/zinc/34/06/26/654340626.db2.gz KACWQJUJKJMADZ-UHFFFAOYSA-N 1 0 380.432 2.495 20 0 GEADRO CC[C@@H]1CN(C(=O)c2cn(-c3ccccc3Br)nn2)CC[C@@H]1[NH3+] ZINC000834641883 654340704 /nfs/dbraw/zinc/34/07/04/654340704.db2.gz OALGOTWENRWUGZ-YPMHNXCESA-N 1 0 378.274 2.229 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc2onc(Cl)c2c1 ZINC000921912208 654340882 /nfs/dbraw/zinc/34/08/82/654340882.db2.gz VWFWWJWIJWUZRC-GFCCVEGCSA-N 1 0 385.873 2.013 20 0 GEADRO CC[C@@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000834648262 654341035 /nfs/dbraw/zinc/34/10/35/654341035.db2.gz UJESAZXMSSHOLM-MFKMUULPSA-N 1 0 389.315 2.052 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000834668234 654341478 /nfs/dbraw/zinc/34/14/78/654341478.db2.gz IVMLHNCLXHAWDZ-IAGOWNOFSA-N 1 0 375.918 2.081 20 0 GEADRO CCn1c(C[NH2+]CC(C)(C)C(=O)NC)nc(Br)c1Br ZINC000921915602 654341883 /nfs/dbraw/zinc/34/18/83/654341883.db2.gz VIKNXMQVLSREMI-UHFFFAOYSA-N 1 0 396.127 2.290 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc(Br)n1 ZINC000872457778 654342050 /nfs/dbraw/zinc/34/20/50/654342050.db2.gz TXRXNAMNGUJPFE-GFCCVEGCSA-N 1 0 376.320 2.339 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1csc(I)n1 ZINC000892353056 654342165 /nfs/dbraw/zinc/34/21/65/654342165.db2.gz KOGAHBXSZUTIJN-IWSPIJDZSA-N 1 0 379.267 2.301 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000892358795 654342528 /nfs/dbraw/zinc/34/25/28/654342528.db2.gz QYYCCAGILSLIDE-AWEZNQCLSA-N 1 0 384.322 2.102 20 0 GEADRO Cc1cc(Cl)nc(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)c1 ZINC000905247122 654343887 /nfs/dbraw/zinc/34/38/87/654343887.db2.gz MPIHREGBXLWLJQ-AWEZNQCLSA-N 1 0 389.949 2.135 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)nc12 ZINC000921938801 654345379 /nfs/dbraw/zinc/34/53/79/654345379.db2.gz JTIKKXXUWQTXHP-DOMZBBRYSA-N 1 0 394.317 2.340 20 0 GEADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000892426319 654345670 /nfs/dbraw/zinc/34/56/70/654345670.db2.gz FOBLYYAHVFNBOZ-CVYDXHPNSA-N 1 0 376.298 2.482 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cccc(Br)n3)C2)CC1 ZINC000872465069 654345695 /nfs/dbraw/zinc/34/56/95/654345695.db2.gz BGLMDBWLLDRSDT-CYBMUJFWSA-N 1 0 388.331 2.197 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccccc2Br)CCC1)C1(O)CCOCC1 ZINC000905264257 654346385 /nfs/dbraw/zinc/34/63/85/654346385.db2.gz UEDFKXZVBBLGAD-MRXNPFEDSA-N 1 0 384.314 2.363 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000854278077 654347453 /nfs/dbraw/zinc/34/74/53/654347453.db2.gz OGHLQKSEXGHWDM-UHFFFAOYSA-N 1 0 390.272 2.295 20 0 GEADRO O[C@@H](C[NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000905286229 654347895 /nfs/dbraw/zinc/34/78/95/654347895.db2.gz YIYVZAVVBSXEBQ-KRWDZBQOSA-N 1 0 389.323 2.498 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C)nc1I ZINC000905313859 654349948 /nfs/dbraw/zinc/34/99/48/654349948.db2.gz BZOYRHSYGOQRSN-LLVKDONJSA-N 1 0 390.269 2.019 20 0 GEADRO O=S(=O)(CC1CC[NH2+]CC1)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000905334337 654351015 /nfs/dbraw/zinc/35/10/15/654351015.db2.gz RSRFFUUUDIGEFL-UHFFFAOYSA-N 1 0 386.945 2.307 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(Cl)cc1Cl ZINC000834821174 654350982 /nfs/dbraw/zinc/35/09/82/654350982.db2.gz LCSYZDYVFSCPMS-ZJUUUORDSA-N 1 0 396.340 2.393 20 0 GEADRO C[C@@H](CNS(=O)(=O)CC1CC[NH2+]CC1)Oc1ccccc1Br ZINC000905337313 654351239 /nfs/dbraw/zinc/35/12/39/654351239.db2.gz FCXSEGOVAPNMCX-LBPRGKRZSA-N 1 0 391.331 2.135 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854332194 654351480 /nfs/dbraw/zinc/35/14/80/654351480.db2.gz DTDGQIJURLSCFG-AWEZNQCLSA-N 1 0 382.302 2.479 20 0 GEADRO COC(=O)c1sc2ccccc2c1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905341218 654351728 /nfs/dbraw/zinc/35/17/28/654351728.db2.gz XHVMWDSFFHMXNC-UHFFFAOYSA-N 1 0 382.507 2.107 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)C(F)F ZINC000834831552 654352108 /nfs/dbraw/zinc/35/21/08/654352108.db2.gz QOZPXLCLHQXFAL-LLVKDONJSA-N 1 0 388.465 2.027 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000905355278 654352708 /nfs/dbraw/zinc/35/27/08/654352708.db2.gz APGDQONIQUHNSZ-CQSZACIVSA-N 1 0 377.432 2.499 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnc4n3CCOC4)nc12 ZINC000921995867 654352834 /nfs/dbraw/zinc/35/28/34/654352834.db2.gz 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CCS(=O)(=O)N1CCC(C[NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000893568620 654408918 /nfs/dbraw/zinc/40/89/18/654408918.db2.gz IYMGFQJTIWFWSL-UHFFFAOYSA-N 1 0 385.477 2.399 20 0 GEADRO C[C@H]([NH2+]Cc1cccc(F)c1I)[C@H]1CN(C)CCO1 ZINC000873081888 654413260 /nfs/dbraw/zinc/41/32/60/654413260.db2.gz VEPABUHSVPQMTE-GXFFZTMASA-N 1 0 378.229 2.239 20 0 GEADRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]Cc3ccc(S(C)(=O)=O)s3)[C@@H]2C1 ZINC000922791694 654413545 /nfs/dbraw/zinc/41/35/45/654413545.db2.gz YAEBNLDVPUHCMT-ZSOGYDGISA-N 1 0 386.539 2.354 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000893651148 654413643 /nfs/dbraw/zinc/41/36/43/654413643.db2.gz MKTKMZNPNMSMLB-CYBMUJFWSA-N 1 0 384.318 2.136 20 0 GEADRO Brc1cnn(C2(C[NH2+]Cc3cnc(N4CCOCC4)s3)CC2)c1 ZINC000922803378 654414405 /nfs/dbraw/zinc/41/44/05/654414405.db2.gz WIUCEVFFGRLTCZ-UHFFFAOYSA-N 1 0 398.330 2.218 20 0 GEADRO Cc1nc(Br)sc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855346470 654414574 /nfs/dbraw/zinc/41/45/74/654414574.db2.gz DELQBYCPVNCDLP-JTQLQIEISA-N 1 0 377.352 2.216 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000855347169 654414743 /nfs/dbraw/zinc/41/47/43/654414743.db2.gz WZEJZPNQPDPBBH-NSHDSACASA-N 1 0 391.741 2.499 20 0 GEADRO CCN(C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000855363339 654415114 /nfs/dbraw/zinc/41/51/14/654415114.db2.gz SJOHJBNAACFTAY-CQSZACIVSA-N 1 0 379.917 2.440 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@H]1C(F)(F)F ZINC000873105004 654415290 /nfs/dbraw/zinc/41/52/90/654415290.db2.gz RWQBUXYMYNSEGJ-NKWVEPMBSA-N 1 0 385.720 2.152 20 0 GEADRO Cc1sc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)nc1C(C)C ZINC000873106396 654415644 /nfs/dbraw/zinc/41/56/44/654415644.db2.gz IJMNBFWLJHYQGI-UWVGGRQHSA-N 1 0 378.420 2.109 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(Cl)cc1F ZINC000873107630 654415938 /nfs/dbraw/zinc/41/59/38/654415938.db2.gz PERYZXSNGMTLHA-BDAKNGLRSA-N 1 0 381.757 2.322 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccc(Cl)cc1Br)C2 ZINC000873108024 654415957 /nfs/dbraw/zinc/41/59/57/654415957.db2.gz BESZZIRFJAVGGR-BJOHPYRUSA-N 1 0 386.677 2.109 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1Br ZINC000873109131 654416054 /nfs/dbraw/zinc/41/60/54/654416054.db2.gz DKNDLFXKHVRNEI-MGPLVRAMSA-N 1 0 398.326 2.177 20 0 GEADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000922837510 654416399 /nfs/dbraw/zinc/41/63/99/654416399.db2.gz HKFMHCIPVNDHBX-MWLCHTKSSA-N 1 0 379.345 2.470 20 0 GEADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000922837512 654416542 /nfs/dbraw/zinc/41/65/42/654416542.db2.gz HKFMHCIPVNDHBX-ONGXEEELSA-N 1 0 379.345 2.470 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000873110728 654416425 /nfs/dbraw/zinc/41/64/25/654416425.db2.gz XZTQMUIJGGXUCZ-UHFFFAOYSA-N 1 0 382.302 2.316 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000922852063 654416756 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COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cc(Br)nn2C)c1 ZINC000873193436 654422362 /nfs/dbraw/zinc/42/23/62/654422362.db2.gz CFEJPQKPFAJJSV-QLJPJBMISA-N 1 0 384.274 2.412 20 0 GEADRO Cn1ncc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000855528102 654423941 /nfs/dbraw/zinc/42/39/41/654423941.db2.gz XXLJDXCUZALYOU-UHFFFAOYSA-N 1 0 392.301 2.220 20 0 GEADRO CNC(=O)c1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000873302243 654424100 /nfs/dbraw/zinc/42/41/00/654424100.db2.gz CEYMKLSOMRVMDS-KWQFWETISA-N 1 0 378.782 2.301 20 0 GEADRO CNC(=O)c1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl ZINC000873302593 654424131 /nfs/dbraw/zinc/42/41/31/654424131.db2.gz FBLQKSMFXNMPQD-KCJUWKMLSA-N 1 0 378.782 2.301 20 0 GEADRO C[C@@H](CNC(=O)c1nscc1I)C[NH+]1CCCC1 ZINC000906317778 654427437 /nfs/dbraw/zinc/42/74/37/654427437.db2.gz DSFBVIYMZWNLDZ-VIFPVBQESA-N 1 0 379.267 2.209 20 0 GEADRO CN(Cc1ncc(Br)cn1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000923126125 654427749 /nfs/dbraw/zinc/42/77/49/654427749.db2.gz HGRDAGSOWMFXJX-KGLIPLIRSA-N 1 0 382.306 2.397 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)CC1C[NH+](C)C1 ZINC000855638503 654430623 /nfs/dbraw/zinc/43/06/23/654430623.db2.gz JSRLQVLTHXCPCS-UHFFFAOYSA-N 1 0 379.254 2.498 20 0 GEADRO CSC1(CNc2nc(N)nc(C(F)(F)C(F)(F)F)n2)CC[NH+](C)CC1 ZINC000893910014 654430786 /nfs/dbraw/zinc/43/07/86/654430786.db2.gz AQFWRUBVORXODB-UHFFFAOYSA-N 1 0 386.394 2.347 20 0 GEADRO CCn1ncc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1Br ZINC000873489786 654431281 /nfs/dbraw/zinc/43/12/81/654431281.db2.gz CGKKGUPACOZPTQ-UHFFFAOYSA-N 1 0 387.322 2.238 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(c3ncnc4c3c(Br)nn4C(C)(C)C)[C@@H]2C1 ZINC000893936457 654432047 /nfs/dbraw/zinc/43/20/47/654432047.db2.gz WYZLHURSVZJTEK-GHMZBOCLSA-N 1 0 379.306 2.484 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906447554 654438183 /nfs/dbraw/zinc/43/81/83/654438183.db2.gz GQOHUOOLDKGTMK-GFCCVEGCSA-N 1 0 382.302 2.407 20 0 GEADRO CO[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)s1 ZINC000906458823 654439942 /nfs/dbraw/zinc/43/99/42/654439942.db2.gz HXKRDNCZSCYWCU-GYSYKLTISA-N 1 0 389.315 2.178 20 0 GEADRO CCOC(=O)C1([S@](C)=O)CCN(c2cc[nH+]c(C)c2Br)CC1 ZINC000894031439 654440763 /nfs/dbraw/zinc/44/07/63/654440763.db2.gz CBTWOPPNOISOOT-QFIPXVFZSA-N 1 0 389.315 2.433 20 0 GEADRO O=C(NCCOCc1ccc(Cl)cc1Cl)NCC[NH+]1CCC(O)CC1 ZINC000894031390 654440785 /nfs/dbraw/zinc/44/07/85/654440785.db2.gz AMBXGDWDLCNFQZ-UHFFFAOYSA-N 1 0 390.311 2.266 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)Cc2cn(C)nc2I)C[C@@H]1C ZINC000894044392 654441728 /nfs/dbraw/zinc/44/17/28/654441728.db2.gz KAKSXNOKQYZPCJ-AAEUAGOBSA-N 1 0 376.286 2.329 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923324318 654444092 /nfs/dbraw/zinc/44/40/92/654444092.db2.gz STZJHGATLOFUTR-MHORFTMASA-N 1 0 382.346 2.368 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(C)=O)ccc2Br)CC1 ZINC000873653378 654444737 /nfs/dbraw/zinc/44/47/37/654444737.db2.gz CNLSNDMZICZIBB-UHFFFAOYSA-N 1 0 396.285 2.191 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873651832 654444873 /nfs/dbraw/zinc/44/48/73/654444873.db2.gz XOWDZOOIAMMOTQ-UHFFFAOYSA-N 1 0 398.301 2.438 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000894090351 654445935 /nfs/dbraw/zinc/44/59/35/654445935.db2.gz SKQRONQWBWLRFC-KCQAQPDRSA-N 1 0 387.343 2.441 20 0 GEADRO Cn1cc(CNC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000923357676 654446476 /nfs/dbraw/zinc/44/64/76/654446476.db2.gz ZUULKVAUUSLDQT-OAHLLOKOSA-N 1 0 392.301 2.256 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000855898641 654447325 /nfs/dbraw/zinc/44/73/25/654447325.db2.gz RRIGLKHVBYIMGO-ZDUSSCGKSA-N 1 0 387.933 2.098 20 0 GEADRO O=C1CC[C@@H]([NH+]2CCN(c3nc4cc(Br)ccc4o3)CC2)CCN1 ZINC000894110971 654447660 /nfs/dbraw/zinc/44/76/60/654447660.db2.gz VWQHPSHPGJUTGZ-CYBMUJFWSA-N 1 0 393.285 2.381 20 0 GEADRO COc1ccccc1OCC[NH2+]Cc1cn(C)nc1I ZINC000894139897 654449442 /nfs/dbraw/zinc/44/94/42/654449442.db2.gz IHGNYUJBKDBDSJ-UHFFFAOYSA-N 1 0 387.221 2.202 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000923410342 654451192 /nfs/dbraw/zinc/45/11/92/654451192.db2.gz XVCDJYDTNZPPND-BHYGNILZSA-N 1 0 387.293 2.259 20 0 GEADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1sc(N3CCOCC3)nc1Cl)C2 ZINC000894170333 654452298 /nfs/dbraw/zinc/45/22/98/654452298.db2.gz QVWWGRMOWRBTAI-CYBMUJFWSA-N 1 0 379.917 2.379 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cc(Br)ccc1Cl ZINC000906601159 654452344 /nfs/dbraw/zinc/45/23/44/654452344.db2.gz FXTQAHQPFMGRDA-LBPRGKRZSA-N 1 0 388.737 2.397 20 0 GEADRO CCc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000873711599 654452399 /nfs/dbraw/zinc/45/23/99/654452399.db2.gz JPMAVUSKMWHZEZ-CYBMUJFWSA-N 1 0 382.302 2.360 20 0 GEADRO C[C@H](CNCc1cn(C)nc1I)[N@@H+]1CCC[C@H](C)C1 ZINC000894176479 654453137 /nfs/dbraw/zinc/45/31/37/654453137.db2.gz LSSCDITWPRJKDI-NWDGAFQWSA-N 1 0 376.286 2.235 20 0 GEADRO O=C(c1nscc1I)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000906617621 654453667 /nfs/dbraw/zinc/45/36/67/654453667.db2.gz HOUYFQBINXPKMZ-JTQLQIEISA-N 1 0 391.278 2.448 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873717333 654453539 /nfs/dbraw/zinc/45/35/39/654453539.db2.gz DTCMINDZARGMHA-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO COC(=O)[C@@H](c1ccccc1Br)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447482 654453780 /nfs/dbraw/zinc/45/37/80/654453780.db2.gz UHRGPOJKROTHNR-XJKSGUPXSA-N 1 0 397.313 2.493 20 0 GEADRO [NH3+][C@@]1(CO)CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000923475302 654454715 /nfs/dbraw/zinc/45/47/15/654454715.db2.gz RCMXRTZPTZWAMD-KRWDZBQOSA-N 1 0 377.286 2.192 20 0 GEADRO [NH3+][C@@]1(CO)CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923478129 654454784 /nfs/dbraw/zinc/45/47/84/654454784.db2.gz XUTKKHVHPUOJLP-AEFFLSMTSA-N 1 0 386.323 2.443 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCNCC[NH2+]CC1 ZINC000923465197 654454814 /nfs/dbraw/zinc/45/48/14/654454814.db2.gz WVZHGTGTLKJZSO-NSHDSACASA-N 1 0 378.826 2.181 20 0 GEADRO CCc1nc(CC[NH2+]Cc2c(I)cnn2C)cs1 ZINC000894213483 654456691 /nfs/dbraw/zinc/45/66/91/654456691.db2.gz CRTWKUWOWZIYAH-UHFFFAOYSA-N 1 0 376.267 2.376 20 0 GEADRO CN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000906654690 654456838 /nfs/dbraw/zinc/45/68/38/654456838.db2.gz MFASLULYCZHRDH-CQSZACIVSA-N 1 0 380.286 2.254 20 0 GEADRO C[C@@H]1CN(CC(=O)Nc2ccccc2I)CC[C@@H]1C[NH3+] ZINC000923507915 654458094 /nfs/dbraw/zinc/45/80/94/654458094.db2.gz LDHGMAICILBUEB-VXGBXAGGSA-N 1 0 387.265 2.146 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000894237556 654458221 /nfs/dbraw/zinc/45/82/21/654458221.db2.gz KJNVAEFKUGCWEP-UHFFFAOYSA-N 1 0 388.310 2.457 20 0 GEADRO C[C@H]([NH2+]Cc1cn(C)nc1I)[C@@H](O)c1ccc(F)cc1 ZINC000894259750 654460533 /nfs/dbraw/zinc/46/05/33/654460533.db2.gz YAUWHFLYALIYCG-TVQRCGJNSA-N 1 0 389.212 2.376 20 0 GEADRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cn(C)nc1I ZINC000894258408 654460589 /nfs/dbraw/zinc/46/05/89/654460589.db2.gz ASZTWDIUMAJFMQ-SMDDNHRTSA-N 1 0 385.249 2.279 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894274000 654461390 /nfs/dbraw/zinc/46/13/90/654461390.db2.gz RBDVCLIPHGPJNJ-OLZOCXBDSA-N 1 0 386.949 2.370 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000906694157 654461463 /nfs/dbraw/zinc/46/14/63/654461463.db2.gz ZCPKHSKXCWJZGP-UHFFFAOYSA-N 1 0 380.164 2.014 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC1 ZINC000906692749 654461650 /nfs/dbraw/zinc/46/16/50/654461650.db2.gz FCEMWNNVNMXPRH-UHFFFAOYSA-N 1 0 381.057 2.302 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000906705439 654462940 /nfs/dbraw/zinc/46/29/40/654462940.db2.gz LALREUWVPDIEAQ-NSHDSACASA-N 1 0 392.656 2.294 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cnnn1-c1ccccc1Br ZINC000906710584 654463399 /nfs/dbraw/zinc/46/33/99/654463399.db2.gz OIQVZZMKEXYIQX-ZDUSSCGKSA-N 1 0 392.301 2.444 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3cnc(Br)cn3)C2)CC1 ZINC000923535033 654464152 /nfs/dbraw/zinc/46/41/52/654464152.db2.gz XSQXTHDHHBIJGB-ZDUSSCGKSA-N 1 0 382.306 2.112 20 0 GEADRO O=C(Nc1ccc(OC(F)(F)F)cc1Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906728364 654465199 /nfs/dbraw/zinc/46/51/99/654465199.db2.gz ZFGUPZGFOWKVHU-UPZJHPNMSA-N 1 0 377.750 2.186 20 0 GEADRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2I)C1 ZINC000894323369 654465209 /nfs/dbraw/zinc/46/52/09/654465209.db2.gz FAFNAFHSTKSHKX-UFYHVXEKSA-N 1 0 395.310 2.194 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)NCc1cnc(Br)cn1)c1ccc(F)cc1 ZINC000923540605 654465522 /nfs/dbraw/zinc/46/55/22/654465522.db2.gz IEAGTNOQCYKUKT-CQSZACIVSA-N 1 0 396.264 2.480 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)c(Br)c1 ZINC000906735621 654466109 /nfs/dbraw/zinc/46/61/09/654466109.db2.gz OTXRIJDQAFTRJI-NSHDSACASA-N 1 0 384.274 2.045 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000906740028 654466453 /nfs/dbraw/zinc/46/64/53/654466453.db2.gz RHCFKAXLDAGNOW-LGZQZNNBSA-N 1 0 376.254 2.394 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)ccc1Br ZINC000906741326 654466913 /nfs/dbraw/zinc/46/69/13/654466913.db2.gz GTYGVSIKHMYIHN-UMSPYCQHSA-N 1 0 384.274 2.028 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(I)n1 ZINC000894343579 654467104 /nfs/dbraw/zinc/46/71/04/654467104.db2.gz FSZDFSVDFYCGGX-YPMHNXCESA-N 1 0 393.294 2.169 20 0 GEADRO Cn1nc(Br)nc1CNc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000894342961 654467135 /nfs/dbraw/zinc/46/71/35/654467135.db2.gz RPATUXBOLZKFAN-UHFFFAOYSA-N 1 0 394.321 2.115 20 0 GEADRO Cn1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(I)n1 ZINC000894343570 654467151 /nfs/dbraw/zinc/46/71/51/654467151.db2.gz FSZDFSVDFYCGGX-AAEUAGOBSA-N 1 0 393.294 2.169 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2cnc(Br)cn2)CCN1c1cc[nH+]cc1 ZINC000923548650 654467569 /nfs/dbraw/zinc/46/75/69/654467569.db2.gz WDEBPJUHXIVRCN-GFCCVEGCSA-N 1 0 391.273 2.054 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873827953 654470082 /nfs/dbraw/zinc/47/00/82/654470082.db2.gz ZVDSJZUTBNWTDD-UHFFFAOYSA-N 1 0 398.301 2.123 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906766413 654470084 /nfs/dbraw/zinc/47/00/84/654470084.db2.gz VURUXAWQMWIXAR-HNNXBMFYSA-N 1 0 386.677 2.396 20 0 GEADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906766499 654470089 /nfs/dbraw/zinc/47/00/89/654470089.db2.gz WYBMGUGTWKOEGE-OAHLLOKOSA-N 1 0 388.212 2.020 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c(I)n1 ZINC000894370401 654470370 /nfs/dbraw/zinc/47/03/70/654470370.db2.gz KPHMRRXZNDXVQU-VWYCJHECSA-N 1 0 395.335 2.494 20 0 GEADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1c(I)cnn1C ZINC000894371100 654470451 /nfs/dbraw/zinc/47/04/51/654470451.db2.gz VGAZWMIFQLKKBP-BXKDBHETSA-N 1 0 375.210 2.220 20 0 GEADRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1c(I)cnn1C ZINC000894371102 654470472 /nfs/dbraw/zinc/47/04/72/654470472.db2.gz VGAZWMIFQLKKBP-JOYOIKCWSA-N 1 0 375.210 2.220 20 0 GEADRO CN(C)[C@H](C[NH2+]Cc1c(I)cnn1C)c1cccs1 ZINC000894382815 654471700 /nfs/dbraw/zinc/47/17/00/654471700.db2.gz AENJKTNDXNWIJH-GFCCVEGCSA-N 1 0 390.294 2.479 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000873849997 654472637 /nfs/dbraw/zinc/47/26/37/654472637.db2.gz AKHOSSUBNCAIAR-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1nscc1I ZINC000906792826 654472734 /nfs/dbraw/zinc/47/27/34/654472734.db2.gz OKSOZHURIBRDNB-WCBMZHEXSA-N 1 0 379.267 2.160 20 0 GEADRO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000923630403 654472906 /nfs/dbraw/zinc/47/29/06/654472906.db2.gz YEMVYJCANRFHOA-QWRGUYRKSA-N 1 0 383.461 2.423 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000894414232 654473530 /nfs/dbraw/zinc/47/35/30/654473530.db2.gz QJNRZXPJTWPICT-PWSUYJOCSA-N 1 0 385.477 2.446 20 0 GEADRO C[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1cc(F)c(Br)cc1F ZINC000923659411 654474114 /nfs/dbraw/zinc/47/41/14/654474114.db2.gz IKRWMNJEFTYVBN-DTWKUNHWSA-N 1 0 383.258 2.460 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2occc2Br)CC1 ZINC000923658978 654474244 /nfs/dbraw/zinc/47/42/44/654474244.db2.gz QTMWLCJEXHKIGE-LBPRGKRZSA-N 1 0 377.304 2.441 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCc3cnc(Cl)s3)C2)[C@H]1C(C)C ZINC000923678766 654475421 /nfs/dbraw/zinc/47/54/21/654475421.db2.gz APQOPTBGAMTKOQ-WBOJAVRRSA-N 1 0 386.949 2.466 20 0 GEADRO [NH3+]CCN(Cc1cccc(Cl)c1)S(=O)(=O)Cc1noc2c1CCCC2 ZINC000923673079 654475487 /nfs/dbraw/zinc/47/54/87/654475487.db2.gz GWSDAPPNOVDEDZ-UHFFFAOYSA-N 1 0 383.901 2.498 20 0 GEADRO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCc2ccc(Br)c(F)c2C1 ZINC000923677851 654475574 /nfs/dbraw/zinc/47/55/74/654475574.db2.gz OPWOPCFSRSQQNO-LLVKDONJSA-N 1 0 377.279 2.028 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000894436878 654475848 /nfs/dbraw/zinc/47/58/48/654475848.db2.gz USECSKLUDVNKIU-UHFFFAOYSA-N 1 0 389.949 2.473 20 0 GEADRO C[C@H](CCNCc1cn(C)nc1I)[NH+]1CCCCC1 ZINC000894444986 654476387 /nfs/dbraw/zinc/47/63/87/654476387.db2.gz LZTCYTUYYWEWGE-GFCCVEGCSA-N 1 0 376.286 2.379 20 0 GEADRO O=C1O[C@H](CNS(=O)(=O)c2cc(Cl)sc2Cl)CC12CC[NH2+]CC2 ZINC000923683652 654476334 /nfs/dbraw/zinc/47/63/34/654476334.db2.gz QLBJJAZIADFHLU-QMMMGPOBSA-N 1 0 399.321 2.019 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000923686124 654476806 /nfs/dbraw/zinc/47/68/06/654476806.db2.gz GULNTXHLDQHQJA-ZDUSSCGKSA-N 1 0 378.416 2.224 20 0 GEADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CCC[C@@]([NH3+])(CO)C3)cc2s1 ZINC000923695429 654477962 /nfs/dbraw/zinc/47/79/62/654477962.db2.gz OZYRTVYCBKKXCN-KRWDZBQOSA-N 1 0 383.539 2.068 20 0 GEADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000923697465 654478297 /nfs/dbraw/zinc/47/82/97/654478297.db2.gz QNWWZCDFFCCGMX-ZIAGYGMSSA-N 1 0 388.917 2.115 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000923697447 654478317 /nfs/dbraw/zinc/47/83/17/654478317.db2.gz QFTSLCYFJSTLAF-CHWSQXEVSA-N 1 0 376.906 2.113 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923700503 654478935 /nfs/dbraw/zinc/47/89/35/654478935.db2.gz BGWKZDQQDMJCHT-UWVGGRQHSA-N 1 0 395.294 2.202 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000923701319 654479029 /nfs/dbraw/zinc/47/90/29/654479029.db2.gz ZREWFMZDKUDXFB-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000894474763 654479255 /nfs/dbraw/zinc/47/92/55/654479255.db2.gz FOGVEOQLTGZFJZ-ZIAGYGMSSA-N 1 0 375.254 2.320 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923703508 654479588 /nfs/dbraw/zinc/47/95/88/654479588.db2.gz PXUFTIWRKMZPAD-RYUDHWBXSA-N 1 0 391.331 2.372 20 0 GEADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)Cc1cccnc1Br ZINC000856410051 654479914 /nfs/dbraw/zinc/47/99/14/654479914.db2.gz GPJYHQVBLREWIO-OAHLLOKOSA-N 1 0 396.329 2.488 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000894503269 654481247 /nfs/dbraw/zinc/48/12/47/654481247.db2.gz ZSIGSSZJUPHMSH-JKSUJKDBSA-N 1 0 382.302 2.061 20 0 GEADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)c2cncc(Br)c2)C1 ZINC000923739697 654482341 /nfs/dbraw/zinc/48/23/41/654482341.db2.gz FEVDTIJOTXUXDI-FZNQNYSPSA-N 1 0 396.310 2.182 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2Br)CC1 ZINC000873921025 654482789 /nfs/dbraw/zinc/48/27/89/654482789.db2.gz CIMXOGUTYHQWOU-UHFFFAOYSA-N 1 0 392.656 2.391 20 0 GEADRO Cc1cc(OCC(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1Br ZINC000906888553 654483326 /nfs/dbraw/zinc/48/33/26/654483326.db2.gz GHYDAJVDCPYKKI-UHFFFAOYSA-N 1 0 397.313 2.460 20 0 GEADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2c(I)cnn2C)cc1 ZINC000894532464 654483767 /nfs/dbraw/zinc/48/37/67/654483767.db2.gz KWVBJFHOAMUJET-CYBMUJFWSA-N 1 0 385.249 2.026 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000906903409 654484996 /nfs/dbraw/zinc/48/49/96/654484996.db2.gz WVLLWZSJYSBTDJ-CQSZACIVSA-N 1 0 375.336 2.394 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000873939839 654485945 /nfs/dbraw/zinc/48/59/45/654485945.db2.gz JLUYCGQTFCUYQN-JTQLQIEISA-N 1 0 384.274 2.047 20 0 GEADRO C[C@@H]1C[N@H+](CCCNCc2sc(N3CCOCC3)nc2Cl)CCCO1 ZINC000894567562 654487053 /nfs/dbraw/zinc/48/70/53/654487053.db2.gz UXLBLKHUTMCJCV-CQSZACIVSA-N 1 0 388.965 2.224 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccn2ncc(Br)c12 ZINC000906940533 654490396 /nfs/dbraw/zinc/49/03/96/654490396.db2.gz ALCSBVRHUASNAV-GFCCVEGCSA-N 1 0 383.290 2.183 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C[N@@H+]1C1CC1 ZINC000906943265 654490746 /nfs/dbraw/zinc/49/07/46/654490746.db2.gz ZAVLRIAAHNCGMS-CMPLNLGQSA-N 1 0 380.286 2.301 20 0 GEADRO C[NH+](C)CCOc1cc(-c2noc(-c3ncc(Br)cn3)n2)ccn1 ZINC000923945484 654491663 /nfs/dbraw/zinc/49/16/63/654491663.db2.gz SGSQCITZEOSCDS-UHFFFAOYSA-N 1 0 391.229 2.292 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906971516 654494339 /nfs/dbraw/zinc/49/43/39/654494339.db2.gz JVNMFONBIDMMGH-BONVTDFDSA-N 1 0 380.286 2.158 20 0 GEADRO C[NH+]1CCN(c2cc(CNC(=O)NCC[C@@H]3CC3(Cl)Cl)ccn2)CC1 ZINC000856822376 654495994 /nfs/dbraw/zinc/49/59/94/654495994.db2.gz KJFDCWNAQWJLAV-CQSZACIVSA-N 1 0 386.327 2.217 20 0 GEADRO O=C1CC[C@@H]([NH+]2CCN(Cc3cnc(CC(F)(F)F)s3)CC2)CCN1 ZINC000894767673 654497856 /nfs/dbraw/zinc/49/78/56/654497856.db2.gz HGCGUZZMORKEFK-GFCCVEGCSA-N 1 0 376.448 2.034 20 0 GEADRO CCn1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)nn1 ZINC000894765521 654497882 /nfs/dbraw/zinc/49/78/82/654497882.db2.gz KJFWRNFTTZFHAT-GFCCVEGCSA-N 1 0 383.290 2.010 20 0 GEADRO Cn1nc(Br)nc1CN(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000894765751 654497984 /nfs/dbraw/zinc/49/79/84/654497984.db2.gz MNNNDMPRXOUKIE-UHFFFAOYSA-N 1 0 388.260 2.420 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)C1 ZINC000907005804 654498787 /nfs/dbraw/zinc/49/87/87/654498787.db2.gz PQYFCZYSIZJXLG-NSHDSACASA-N 1 0 378.878 2.072 20 0 GEADRO CN(C)S(=O)(=O)N1CCCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894793360 654499583 /nfs/dbraw/zinc/49/95/83/654499583.db2.gz DWKOPXGWWNLGBH-UHFFFAOYSA-N 1 0 388.946 2.264 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000894788890 654499660 /nfs/dbraw/zinc/49/96/60/654499660.db2.gz CVYCIVTUXUAAJN-CJNGLKHVSA-N 1 0 397.260 2.281 20 0 GEADRO Cn1nc2c(c1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1)CSCC2 ZINC000894793425 654499870 /nfs/dbraw/zinc/49/98/70/654499870.db2.gz GNTJDGSSCIKZIM-LLVKDONJSA-N 1 0 376.448 2.100 20 0 GEADRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)C1(F)F ZINC000894848556 654501985 /nfs/dbraw/zinc/50/19/85/654501985.db2.gz IFGBJAXOLGEISA-FXAINCCUSA-N 1 0 382.176 2.266 20 0 GEADRO O[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Cc1cccc(F)c1 ZINC000894869304 654503271 /nfs/dbraw/zinc/50/32/71/654503271.db2.gz SXDHNAJKSLWACS-CQSZACIVSA-N 1 0 385.892 2.465 20 0 GEADRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1c(I)cnn1C ZINC000894873494 654503656 /nfs/dbraw/zinc/50/36/56/654503656.db2.gz MLDPGMVYCPOYGI-QMMMGPOBSA-N 1 0 391.175 2.472 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000894906906 654504764 /nfs/dbraw/zinc/50/47/64/654504764.db2.gz NCCXSEZPURQMLP-SWLSCSKDSA-N 1 0 398.248 2.430 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nscc2I)C1 ZINC000907063932 654506091 /nfs/dbraw/zinc/50/60/91/654506091.db2.gz DZESPAIANLSLGV-KOLCDFICSA-N 1 0 391.278 2.304 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)oc1Cl ZINC000907099864 654509926 /nfs/dbraw/zinc/50/99/26/654509926.db2.gz JJCPGUQPRPXXSO-UHFFFAOYSA-N 1 0 378.878 2.072 20 0 GEADRO CCOc1ccc([C@@]2(C(=O)NC[C@@](C)(O)C[NH+](C)C)CC2(Cl)Cl)cc1 ZINC000907117146 654511562 /nfs/dbraw/zinc/51/15/62/654511562.db2.gz VSHADLFYRRGCQE-IAGOWNOFSA-N 1 0 389.323 2.330 20 0 GEADRO CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000907145999 654514465 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CO[C@H](c1ccc(Br)cc1)[C@H](C)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924822361 654525681 /nfs/dbraw/zinc/52/56/81/654525681.db2.gz LEEMWUKHXFLGPP-GDLCADMTSA-N 1 0 384.274 2.007 20 0 GEADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C)C2(Br)CC2)cc1 ZINC000924837389 654525978 /nfs/dbraw/zinc/52/59/78/654525978.db2.gz LZRWFVCYSBWLHK-GFCCVEGCSA-N 1 0 391.331 2.017 20 0 GEADRO C[C@@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C1=CC[N@H+](C)CC1 ZINC000907282197 654527482 /nfs/dbraw/zinc/52/74/82/654527482.db2.gz MKKAJWVBVJIZSS-BDJLRTHQSA-N 1 0 393.281 2.297 20 0 GEADRO CCC[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)S(N)(=O)=O ZINC000924884972 654527576 /nfs/dbraw/zinc/52/75/76/654527576.db2.gz BBOHXJDBMMAKEB-CYBMUJFWSA-N 1 0 381.420 2.163 20 0 GEADRO C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cc(CO)on1 ZINC000924889653 654527919 /nfs/dbraw/zinc/52/79/19/654527919.db2.gz DWRNGKNQBARYJW-NSHDSACASA-N 1 0 382.258 2.400 20 0 GEADRO O=C1[C@@H]2Cc3c(Br)cccc3CN2C(=O)N1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924887295 654527924 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O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1cnc2ccsc2c1 ZINC000907329938 654532652 /nfs/dbraw/zinc/53/26/52/654532652.db2.gz ZZJCUELMWDDIBV-UHFFFAOYSA-N 1 0 381.523 2.218 20 0 GEADRO COc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907331038 654532765 /nfs/dbraw/zinc/53/27/65/654532765.db2.gz VIWBNWXGOPLMST-UHFFFAOYSA-N 1 0 388.917 2.270 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)c3c(C)cnn3C)C2)s1 ZINC000907344904 654534248 /nfs/dbraw/zinc/53/42/48/654534248.db2.gz IHLZAZIJQBKYOY-OAHLLOKOSA-N 1 0 382.555 2.241 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CC3(N(C)C)CC3)C2)s1 ZINC000907347952 654534575 /nfs/dbraw/zinc/53/45/75/654534575.db2.gz YGGJELKSAODJKO-MRXNPFEDSA-N 1 0 385.599 2.234 20 0 GEADRO O=C(NC[C@H](O)Cc1cccc(Cl)c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925167690 654535853 /nfs/dbraw/zinc/53/58/53/654535853.db2.gz CXDAJCSEAWNNOA-IXDOHACOSA-N 1 0 383.945 2.122 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC[C@H](C(F)(F)F)O1 ZINC000925169211 654535863 /nfs/dbraw/zinc/53/58/63/654535863.db2.gz JZPSQECDCRGUEE-AAVRWANBSA-N 1 0 381.464 2.318 20 0 GEADRO C[C@H](C[NH2+][C@H]1C(=O)NCC12CCOCC2)Oc1cccc(Br)c1 ZINC000925172696 654536108 /nfs/dbraw/zinc/53/61/08/654536108.db2.gz HNQUJQXTXGDKFU-DOMZBBRYSA-N 1 0 383.286 2.101 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cn2c(n1)CCCC2 ZINC000925266449 654539336 /nfs/dbraw/zinc/53/93/36/654539336.db2.gz SDHSJGPSRLFJNJ-NSHDSACASA-N 1 0 380.436 2.184 20 0 GEADRO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)C1CCN(S(C)(=O)=O)CC1 ZINC000925537933 654545759 /nfs/dbraw/zinc/54/57/59/654545759.db2.gz MYNNAQLGTUQGQW-CYBMUJFWSA-N 1 0 380.539 2.355 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCCN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925566073 654546080 /nfs/dbraw/zinc/54/60/80/654546080.db2.gz CRLYIODQZRAINU-MRXNPFEDSA-N 1 0 396.329 2.452 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccnn1CC1CCC1 ZINC000925605218 654546690 /nfs/dbraw/zinc/54/66/90/654546690.db2.gz DCVLYNCXFYJHTP-ZFWWWQNUSA-N 1 0 383.539 2.230 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCc3ncc(Br)cc32)O1 ZINC000925698254 654548422 /nfs/dbraw/zinc/54/84/22/654548422.db2.gz QLPDVQNWHBXFOB-RCBQFDQVSA-N 1 0 382.302 2.447 20 0 GEADRO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000925775701 654549011 /nfs/dbraw/zinc/54/90/11/654549011.db2.gz RLSIEKVTLZGJGI-VUCTXSBTSA-N 1 0 379.302 2.477 20 0 GEADRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925787371 654549581 /nfs/dbraw/zinc/54/95/81/654549581.db2.gz ARXWWUDJGWCOPO-XJKSGUPXSA-N 1 0 378.460 2.393 20 0 GEADRO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(Cl)ccc1OC(F)F ZINC000925790255 654550031 /nfs/dbraw/zinc/55/00/31/654550031.db2.gz AQBVGORUEMPSBR-ZYHUDNBSSA-N 1 0 382.860 2.369 20 0 GEADRO CC[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(F)cc(Br)c1 ZINC000925791348 654550082 /nfs/dbraw/zinc/55/00/82/654550082.db2.gz FVDXMOSEORZVNX-CABCVRRESA-N 1 0 393.322 2.406 20 0 GEADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000925801451 654550713 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CC1(C)CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C[C@@H]1[NH3+] ZINC000926092080 654558706 /nfs/dbraw/zinc/55/87/06/654558706.db2.gz UAPRNVGGHUTUJJ-LBPRGKRZSA-N 1 0 379.262 2.231 20 0 GEADRO CC1(C)CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C[C@H]1[NH3+] ZINC000926092079 654558797 /nfs/dbraw/zinc/55/87/97/654558797.db2.gz UAPRNVGGHUTUJJ-GFCCVEGCSA-N 1 0 379.262 2.231 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000926098995 654558954 /nfs/dbraw/zinc/55/89/54/654558954.db2.gz LUYYTKMQHAVGNV-BXUZGUMPSA-N 1 0 378.274 2.423 20 0 GEADRO COc1cc(Br)ccc1CCC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000926138838 654560354 /nfs/dbraw/zinc/56/03/54/654560354.db2.gz AXVPWZJTNMWXPN-MRXNPFEDSA-N 1 0 397.313 2.275 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1O)C2 ZINC000926167212 654561851 /nfs/dbraw/zinc/56/18/51/654561851.db2.gz SHWJAEFEDARXRX-KBEGMRNHSA-N 1 0 397.313 2.364 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1)C(F)(F)F ZINC000926169916 654562306 /nfs/dbraw/zinc/56/23/06/654562306.db2.gz PDHQVSDMKVLUGB-ZDUSSCGKSA-N 1 0 376.448 2.486 20 0 GEADRO O=C(Nc1cc(Cl)c(Br)cc1F)N1CCNCC[NH2+]CC1 ZINC000926182035 654562795 /nfs/dbraw/zinc/56/27/95/654562795.db2.gz YDOVSCQNWJIRRG-UHFFFAOYSA-N 1 0 379.661 2.268 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000926192540 654563247 /nfs/dbraw/zinc/56/32/47/654563247.db2.gz JKMOIZRSGQFOKU-NSHDSACASA-N 1 0 397.273 2.386 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(I)c(Cl)c2)CCO1 ZINC000926220235 654563448 /nfs/dbraw/zinc/56/34/48/654563448.db2.gz USJYPAPBKSQJSD-VIFPVBQESA-N 1 0 395.628 2.136 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000926209614 654563633 /nfs/dbraw/zinc/56/36/33/654563633.db2.gz NMKIJSKALQIAQH-ZRUFSTJUSA-N 1 0 377.329 2.123 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)c1c(C)[nH]nc1I ZINC000907657699 654565042 /nfs/dbraw/zinc/56/50/42/654565042.db2.gz NGNBDEIMDDBSQS-UHFFFAOYSA-N 1 0 378.258 2.127 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926305280 654568030 /nfs/dbraw/zinc/56/80/30/654568030.db2.gz FFQSPYUYYYQVQT-CQSZACIVSA-N 1 0 396.329 2.385 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000926346096 654568570 /nfs/dbraw/zinc/56/85/70/654568570.db2.gz XPBYXANVDJCHRW-CZUORRHYSA-N 1 0 381.929 2.154 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2cc(Br)ccc2C1 ZINC000907690177 654568589 /nfs/dbraw/zinc/56/85/89/654568589.db2.gz WNLNFVNPNWLFNV-UHFFFAOYSA-N 1 0 377.286 2.406 20 0 GEADRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCOc1ccc(I)cc1 ZINC000926366924 654569528 /nfs/dbraw/zinc/56/95/28/654569528.db2.gz HVHPSBFWWVLPML-WCQYABFASA-N 1 0 388.249 2.317 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)C2 ZINC000926387832 654570106 /nfs/dbraw/zinc/57/01/06/654570106.db2.gz KWGREFQSIOCGJZ-QWHCGFSZSA-N 1 0 394.313 2.043 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)c2ccnnc2)c1 ZINC000926417932 654570724 /nfs/dbraw/zinc/57/07/24/654570724.db2.gz OUDYEFHJTBREGX-GFCCVEGCSA-N 1 0 399.314 2.177 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccnnc2)c1 ZINC000926417938 654570735 /nfs/dbraw/zinc/57/07/35/654570735.db2.gz OUDYEFHJTBREGX-LBPRGKRZSA-N 1 0 399.314 2.177 20 0 GEADRO Cn1cc(I)c(C[NH2+][C@@H](C2CC2)C2CCOCC2)n1 ZINC000926540155 654574062 /nfs/dbraw/zinc/57/40/62/654574062.db2.gz IRBGFVAKCRBLFY-AWEZNQCLSA-N 1 0 375.254 2.320 20 0 GEADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000926541405 654574513 /nfs/dbraw/zinc/57/45/13/654574513.db2.gz PKHXPOWOWYFICN-XUJVJEKNSA-N 1 0 387.293 2.386 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2c[nH]c3ccc(Br)cc23)C1 ZINC000907780878 654578424 /nfs/dbraw/zinc/57/84/24/654578424.db2.gz HYIZVOSOCVXOIE-GOSISDBHSA-N 1 0 394.313 2.388 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1(C)C ZINC000926691923 654580425 /nfs/dbraw/zinc/58/04/25/654580425.db2.gz FFZKYYYEEOKKPS-NSHDSACASA-N 1 0 388.452 2.341 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Br)n1 ZINC000926753708 654581673 /nfs/dbraw/zinc/58/16/73/654581673.db2.gz PHDOABOYUMTRCM-NWDGAFQWSA-N 1 0 388.273 2.211 20 0 GEADRO CCO[C@H](CNC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl)C[NH+](C)C ZINC000926839500 654583496 /nfs/dbraw/zinc/58/34/96/654583496.db2.gz ZXXKLVQCWJPGQL-HSMVNMDESA-N 1 0 375.872 2.167 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC23CC[NH+](C)CC3)cc1Cl ZINC000907854450 654583541 /nfs/dbraw/zinc/58/35/41/654583541.db2.gz ZHUZUSTZVXDZCK-UHFFFAOYSA-N 1 0 389.880 2.296 20 0 GEADRO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000926953880 654584848 /nfs/dbraw/zinc/58/48/48/654584848.db2.gz PRJAXFSCLSRTSN-LLVKDONJSA-N 1 0 383.482 2.404 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC000926995936 654588926 /nfs/dbraw/zinc/58/89/26/654588926.db2.gz PLWMGGKVRNFWRZ-XYSPPFBYSA-N 1 0 375.531 2.069 20 0 GEADRO CS(=O)(=O)CC1CCC([NH2+]CC2(n3cc(Br)cn3)CC2)CC1 ZINC000927003752 654589301 /nfs/dbraw/zinc/58/93/01/654589301.db2.gz BZGMAZOSLNGPPB-UHFFFAOYSA-N 1 0 390.347 2.328 20 0 GEADRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000927025457 654589905 /nfs/dbraw/zinc/58/99/05/654589905.db2.gz NKBRGWSMEUBOMK-ZFWWWQNUSA-N 1 0 376.316 2.212 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000907935215 654590947 /nfs/dbraw/zinc/59/09/47/654590947.db2.gz PYECKEGTQSRVMK-RISCZKNCSA-N 1 0 393.347 2.407 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)NCC2(n3cc(Br)cn3)CC2)CC[N@@H+]1C ZINC000927103346 654591780 /nfs/dbraw/zinc/59/17/80/654591780.db2.gz ATWCCCDCCXHLHQ-JSGCOSHPSA-N 1 0 384.322 2.259 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)c1ccnn1C ZINC000927130618 654595043 /nfs/dbraw/zinc/59/50/43/654595043.db2.gz GUOWKZJNDNEYDX-IAQYHMDHSA-N 1 0 381.274 2.223 20 0 GEADRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1c1cccc(I)c1 ZINC000927174596 654595520 /nfs/dbraw/zinc/59/55/20/654595520.db2.gz RKYAKCVNLKKQCS-ZDUSSCGKSA-N 1 0 399.232 2.202 20 0 GEADRO COCCOc1c(Cl)cc(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)cc1Cl ZINC000927215518 654596164 /nfs/dbraw/zinc/59/61/64/654596164.db2.gz ZAJGHYWMCLWEPP-LBPRGKRZSA-N 1 0 376.240 2.005 20 0 GEADRO O=C([C@H](O)c1cccc(Br)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908019552 654597366 /nfs/dbraw/zinc/59/73/66/654597366.db2.gz AWFMPDPHROUUGK-WMLDXEAASA-N 1 0 397.313 2.053 20 0 GEADRO Cn1cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000927630043 654607864 /nfs/dbraw/zinc/60/78/64/654607864.db2.gz MFPSSIDGFHATSS-HNNXBMFYSA-N 1 0 377.286 2.463 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nscc1I ZINC000908147521 654608572 /nfs/dbraw/zinc/60/85/72/654608572.db2.gz RCUVYHQGJIVLTO-UWVGGRQHSA-N 1 0 391.278 2.447 20 0 GEADRO C[C@]12CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)C[C@H]1C2(Cl)Cl ZINC000927635582 654608614 /nfs/dbraw/zinc/60/86/14/654608614.db2.gz BBDAPTKDHYDVHX-FMKPAKJESA-N 1 0 376.328 2.465 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2ncc(Br)cn2n1 ZINC000908192770 654611728 /nfs/dbraw/zinc/61/17/28/654611728.db2.gz YWDHQTNJEQSCQJ-SMDDNHRTSA-N 1 0 378.274 2.191 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000927809787 654615214 /nfs/dbraw/zinc/61/52/14/654615214.db2.gz SCDCUEBAPQUNFF-MEBBXXQBSA-N 1 0 376.254 2.265 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000927818857 654615737 /nfs/dbraw/zinc/61/57/37/654615737.db2.gz AHTDBTDGYNUELH-GHMZBOCLSA-N 1 0 386.265 2.197 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3C[C@@H](C)[C@H](CC[NH3+])C3)cc2s1 ZINC000927834951 654616246 /nfs/dbraw/zinc/61/62/46/654616246.db2.gz WYYCOKLWZNMORR-GHMZBOCLSA-N 1 0 378.523 2.400 20 0 GEADRO CSc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1C ZINC000927848009 654617118 /nfs/dbraw/zinc/61/71/18/654617118.db2.gz ZNHSVUZXLUNAMC-WDEREUQCSA-N 1 0 375.416 2.394 20 0 GEADRO CSc1ccc(C)c(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000927846461 654617187 /nfs/dbraw/zinc/61/71/87/654617187.db2.gz QMWXVNOWSFHZMQ-VXGBXAGGSA-N 1 0 375.416 2.394 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)C[C@H]1[NH3+] ZINC000927854133 654617831 /nfs/dbraw/zinc/61/78/31/654617831.db2.gz SVYHIVAHVHSCCW-CYBMUJFWSA-N 1 0 391.269 2.132 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C(C)C ZINC000927863536 654618138 /nfs/dbraw/zinc/61/81/38/654618138.db2.gz OMKRVTRBPODQTH-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21)C(C)C ZINC000927865038 654618477 /nfs/dbraw/zinc/61/84/77/654618477.db2.gz MHOGBVRKYXDIKV-UHFFFAOYSA-N 1 0 394.313 2.284 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)c1 ZINC000927885102 654619620 /nfs/dbraw/zinc/61/96/20/654619620.db2.gz AFJYZDJONVVCSH-LBPRGKRZSA-N 1 0 398.301 2.372 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000927887209 654619844 /nfs/dbraw/zinc/61/98/44/654619844.db2.gz KREBFOCVVNNOMK-LLVKDONJSA-N 1 0 391.269 2.133 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)ccc1Br ZINC000927887901 654619858 /nfs/dbraw/zinc/61/98/58/654619858.db2.gz DSYWXSGTJYIADC-LBPRGKRZSA-N 1 0 398.301 2.372 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC000927893586 654620688 /nfs/dbraw/zinc/62/06/88/654620688.db2.gz HTINHLKZSQFMAF-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000927895230 654620973 /nfs/dbraw/zinc/62/09/73/654620973.db2.gz RWJGXPSFRZABTC-RYUDHWBXSA-N 1 0 398.301 2.148 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000927927023 654621983 /nfs/dbraw/zinc/62/19/83/654621983.db2.gz LIJGWQZAYGWUJZ-PWSUYJOCSA-N 1 0 384.274 2.030 20 0 GEADRO CC(C)Oc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)ccc1Br ZINC000927931608 654622367 /nfs/dbraw/zinc/62/23/67/654622367.db2.gz ZWHUELONJZSGEN-NEPJUHHUSA-N 1 0 398.301 2.418 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000908408405 654627170 /nfs/dbraw/zinc/62/71/70/654627170.db2.gz NCNTZNVNICTYJD-QGZVFWFLSA-N 1 0 393.285 2.420 20 0 GEADRO C[C@@H]1Sc2ccc(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)cc2NC1=O ZINC000928104505 654631242 /nfs/dbraw/zinc/63/12/42/654631242.db2.gz VOYPZIGKMYZDIB-LNSITVRQSA-N 1 0 377.535 2.429 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000908602465 654635392 /nfs/dbraw/zinc/63/53/92/654635392.db2.gz OWFFFPUBAVNKPR-HNNXBMFYSA-N 1 0 397.313 2.277 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000928359787 654643658 /nfs/dbraw/zinc/64/36/58/654643658.db2.gz SPUOEHOTKQXGKA-DOTOQJQBSA-N 1 0 382.302 2.354 20 0 GEADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)nnn1-c1ccccc1Br ZINC000928427753 654647003 /nfs/dbraw/zinc/64/70/03/654647003.db2.gz UDNUAJAUXALPJB-GXFFZTMASA-N 1 0 378.274 2.161 20 0 GEADRO C[C@H]1[C@H](NC(=O)c2ncc(Br)cc2Br)CC[N@@H+]1C ZINC000928438017 654647177 /nfs/dbraw/zinc/64/71/77/654647177.db2.gz LVZQDYXJPUVVCU-OIBJUYFYSA-N 1 0 377.080 2.429 20 0 GEADRO C[C@@H]1[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000928446519 654648017 /nfs/dbraw/zinc/64/80/17/654648017.db2.gz XBVADZAMTVTQKZ-DAXOMENPSA-N 1 0 394.313 2.263 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC000909361721 654661183 /nfs/dbraw/zinc/66/11/83/654661183.db2.gz DPCZLKYYGXBAEK-CQSZACIVSA-N 1 0 381.314 2.121 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)c1cc(Br)c[nH]c1=O)c1cccnc1 ZINC000928832953 654661953 /nfs/dbraw/zinc/66/19/53/654661953.db2.gz YJCNHQDKCDVHBN-CQSZACIVSA-N 1 0 379.258 2.368 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)c1c(Br)nc2n1CCC2)c1cccnc1 ZINC000928828967 654661957 /nfs/dbraw/zinc/66/19/57/654661957.db2.gz SOLWJNMYSGABPD-ZDUSSCGKSA-N 1 0 392.301 2.410 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1nscc1I ZINC000909433945 654664679 /nfs/dbraw/zinc/66/46/79/654664679.db2.gz RQPRBUBCYRCYQR-UHFFFAOYSA-N 1 0 379.267 2.352 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000909913114 654681729 /nfs/dbraw/zinc/68/17/29/654681729.db2.gz AHUPVJOVUJDQAN-GFCCVEGCSA-N 1 0 382.302 2.407 20 0 GEADRO CC1([NH+]2CCCC2)CCC(NC(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000929502310 654685956 /nfs/dbraw/zinc/68/59/56/654685956.db2.gz IKCAWDOHYYEIKJ-UHFFFAOYSA-N 1 0 381.464 2.269 20 0 GEADRO OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C1(O)CCOCC1 ZINC000929614116 654689047 /nfs/dbraw/zinc/68/90/47/654689047.db2.gz NTZAMMYNAQUJEB-INIZCTEOSA-N 1 0 378.296 2.080 20 0 GEADRO O[C@@H](C[N@H+]1C[C@@H](O)[C@@H](O)C1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000929771752 654691745 /nfs/dbraw/zinc/69/17/45/654691745.db2.gz SAFGTPKHMNOCGW-OKZBNKHCSA-N 1 0 378.266 2.187 20 0 GEADRO Cn1cc(Br)c(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1=O ZINC000929761482 654691824 /nfs/dbraw/zinc/69/18/24/654691824.db2.gz RKWCHPGSOPNENB-UHFFFAOYSA-N 1 0 378.270 2.139 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000929861523 654693454 /nfs/dbraw/zinc/69/34/54/654693454.db2.gz LJMXNLPMYBDERS-LLVKDONJSA-N 1 0 379.810 2.470 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)[C@@H](C)C1 ZINC000910290222 654695405 /nfs/dbraw/zinc/69/54/05/654695405.db2.gz YSRWMUWGEYOILQ-LBPRGKRZSA-N 1 0 386.290 2.057 20 0 GEADRO O[C@@H](C[N@H+](Cc1csc(Br)c1)C1CC1)C[C@@]1(O)CCOC1 ZINC000930078146 654698643 /nfs/dbraw/zinc/69/86/43/654698643.db2.gz QFQWFAZJZDBECO-HIFRSBDPSA-N 1 0 376.316 2.377 20 0 GEADRO CS(=O)(=O)N1CC(C[N@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000930077133 654698654 /nfs/dbraw/zinc/69/86/54/654698654.db2.gz JMYQGBVZSRICNH-UHFFFAOYSA-N 1 0 379.345 2.366 20 0 GEADRO C[C@H](CNC(=O)CN1CC[C@@H](C(F)(F)F)C1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000930120910 654699813 /nfs/dbraw/zinc/69/98/13/654699813.db2.gz KZSOCOUVNFTOEJ-IJLUTSLNSA-N 1 0 375.357 2.260 20 0 GEADRO C[C@H]([NH2+]CC[S@@](=O)C(F)(F)F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000930199175 654701798 /nfs/dbraw/zinc/70/17/98/654701798.db2.gz RRFNIXWAXNDCPK-JPQMIFPKSA-N 1 0 378.416 2.263 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000910534815 654702214 /nfs/dbraw/zinc/70/22/14/654702214.db2.gz JAGDPOFKHAKQCE-UHFFFAOYSA-N 1 0 398.345 2.454 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000930214759 654702296 /nfs/dbraw/zinc/70/22/96/654702296.db2.gz WOOAMNOOJIWIKS-BXKDBHETSA-N 1 0 390.374 2.194 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCS1 ZINC000930338417 654706389 /nfs/dbraw/zinc/70/63/89/654706389.db2.gz ZPVMADDRVDTAEY-WQVCFCJDSA-N 1 0 383.945 2.459 20 0 GEADRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000930350156 654706617 /nfs/dbraw/zinc/70/66/17/654706617.db2.gz FLLAKWWYQTVEHX-QMMMGPOBSA-N 1 0 378.068 2.432 20 0 GEADRO Cn1cc(C2=NC[C@@H](C[NH2+][C@H](c3cncc(Br)c3)C3CC3)O2)cn1 ZINC000930373590 654708045 /nfs/dbraw/zinc/70/80/45/654708045.db2.gz YGWXRLSVPZMIRK-CVEARBPZSA-N 1 0 390.285 2.464 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000930409531 654709251 /nfs/dbraw/zinc/70/92/51/654709251.db2.gz HVVAOTAIJAATOK-UHFFFAOYSA-N 1 0 386.290 2.426 20 0 GEADRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1noc(C(F)(F)F)n1 ZINC000910753542 654709298 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OC[C@H]([NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccc(Br)c(F)c1 ZINC000930557307 654713276 /nfs/dbraw/zinc/71/32/76/654713276.db2.gz DLYAVNCHCDTOMK-WFASDCNBSA-N 1 0 376.266 2.267 20 0 GEADRO Cc1cc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cnc1Br ZINC000930600794 654714896 /nfs/dbraw/zinc/71/48/96/654714896.db2.gz BCUCIADBUWICBG-ZDUSSCGKSA-N 1 0 388.306 2.470 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[C@H]1C[NH3+] ZINC000911041400 654715886 /nfs/dbraw/zinc/71/58/86/654715886.db2.gz WIXIZGSKWFDALF-JSGCOSHPSA-N 1 0 386.323 2.486 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(Br)[nH]c2=O)C[C@H](C)O1 ZINC000930673650 654716496 /nfs/dbraw/zinc/71/64/96/654716496.db2.gz ABJQELJHRCRVJX-XQQFMLRXSA-N 1 0 398.301 2.264 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)c1ccc(Br)cc1 ZINC000911073565 654716531 /nfs/dbraw/zinc/71/65/31/654716531.db2.gz VCFQKZPUOBGAQW-MBNYWOFBSA-N 1 0 382.302 2.070 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000930675333 654716637 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2.137 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2I)C1 ZINC000930746922 654718737 /nfs/dbraw/zinc/71/87/37/654718737.db2.gz HOFPOZFNCIFDLQ-SNVBAGLBSA-N 1 0 388.253 2.102 20 0 GEADRO O=C(NCc1ccccc1SC(F)(F)F)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000911303911 654721802 /nfs/dbraw/zinc/72/18/02/654721802.db2.gz UBKHOHPJUISFRJ-GFCCVEGCSA-N 1 0 375.416 2.173 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000911347044 654722792 /nfs/dbraw/zinc/72/27/92/654722792.db2.gz IFKFGSDGUGFTLD-NHYWBVRUSA-N 1 0 375.416 2.113 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)NCCc2cccc(Br)c2C)CC[C@H]1[NH3+] ZINC000911425932 654723883 /nfs/dbraw/zinc/72/38/83/654723883.db2.gz CIKVXAIABWBTOT-XJKSGUPXSA-N 1 0 396.329 2.002 20 0 GEADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000911429018 654723911 /nfs/dbraw/zinc/72/39/11/654723911.db2.gz QAWSDBRAWWCKBJ-UKRRQHHQSA-N 1 0 396.329 2.002 20 0 GEADRO COc1ccc(Br)cc1C1(NC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000911496860 654724908 /nfs/dbraw/zinc/72/49/08/654724908.db2.gz MVZCDCIKINULCG-UHFFFAOYSA-N 1 0 396.329 2.056 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504292 654725175 /nfs/dbraw/zinc/72/51/75/654725175.db2.gz IVEWQHUXEMFHAM-UHFFFAOYSA-N 1 0 382.302 2.041 20 0 GEADRO C[NH+]1CCC(OCC(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)CC1 ZINC000930981382 654725500 /nfs/dbraw/zinc/72/55/00/654725500.db2.gz VOXABERBCMKSQW-UHFFFAOYSA-N 1 0 394.273 2.284 20 0 GEADRO Cn1cc(Br)c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1=O ZINC000930980335 654725568 /nfs/dbraw/zinc/72/55/68/654725568.db2.gz JWGRDMABUQREPS-UHFFFAOYSA-N 1 0 392.297 2.352 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccccc2SC(F)(F)F)C1 ZINC000911575195 654726632 /nfs/dbraw/zinc/72/66/32/654726632.db2.gz GCCXSCJGXBBVLU-HNNXBMFYSA-N 1 0 375.416 2.112 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000931047435 654727741 /nfs/dbraw/zinc/72/77/41/654727741.db2.gz YOXJELWSAZZDTM-DOMZBBRYSA-N 1 0 375.332 2.247 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCC(F)CC1 ZINC000931058349 654727963 /nfs/dbraw/zinc/72/79/63/654727963.db2.gz XBGSUHVDPFTJDP-PRLABOORSA-N 1 0 378.554 2.494 20 0 GEADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3ncc(Br)cn3)n2)CC1 ZINC000931127566 654729904 /nfs/dbraw/zinc/72/99/04/654729904.db2.gz UOAQYDUJXLQRDU-UHFFFAOYSA-N 1 0 394.277 2.024 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(Br)cnc1Br ZINC000911714094 654730445 /nfs/dbraw/zinc/73/04/45/654730445.db2.gz NQBACFCGABNEFX-VIFPVBQESA-N 1 0 377.080 2.479 20 0 GEADRO Cc1c(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)nnn1-c1ccccc1Br ZINC000911721230 654730657 /nfs/dbraw/zinc/73/06/57/654730657.db2.gz UKUPAGMLDFAPEX-YPMHNXCESA-N 1 0 392.301 2.456 20 0 GEADRO C[C@H](NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)[C@H]1CCC[NH2+]C1 ZINC000911726572 654730689 /nfs/dbraw/zinc/73/06/89/654730689.db2.gz UAWMWGKZSIXIJV-GVXVVHGQSA-N 1 0 380.286 2.379 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@H](C)C1(F)F ZINC000931160016 654731490 /nfs/dbraw/zinc/73/14/90/654731490.db2.gz RINYZIHXEFHCSF-HZSPNIEDSA-N 1 0 382.517 2.211 20 0 GEADRO OC[C@@]1([NH2+]C[C@H]2CCC3(COC3)O2)CCc2cc(Br)ccc2C1 ZINC000931175039 654731970 /nfs/dbraw/zinc/73/19/70/654731970.db2.gz CLGCFBYWOJJZKL-IAGOWNOFSA-N 1 0 382.298 2.207 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cnc1C1CC1 ZINC000931187582 654732478 /nfs/dbraw/zinc/73/24/78/654732478.db2.gz WAZPNXGSOHSNSW-UONOGXRCSA-N 1 0 380.286 2.315 20 0 GEADRO C[C@H]1CN(C(=O)c2cc(Br)cnc2Br)CC[C@@H]1[NH3+] ZINC000911818322 654732925 /nfs/dbraw/zinc/73/29/25/654732925.db2.gz KWZOBFDBURHBJN-XVKPBYJWSA-N 1 0 377.080 2.416 20 0 GEADRO C[C@@H]1CCCN(C(=O)C[C@H]2c3cccc(Br)c3NC2=O)[C@H]1C[NH3+] ZINC000911822618 654732957 /nfs/dbraw/zinc/73/29/57/654732957.db2.gz ILEKZWQWBHOFKF-OSMZGAPFSA-N 1 0 380.286 2.461 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2ccc3c(Br)cnn3c2)n1 ZINC000931196943 654732952 /nfs/dbraw/zinc/73/29/52/654732952.db2.gz BKVWZAKTBRDPOA-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO Cc1c(Br)cc(C(=O)NCC[NH2+]C2CCCCCC2)c(=O)n1C ZINC000911842337 654733967 /nfs/dbraw/zinc/73/39/67/654733967.db2.gz WCQJBGASKPHFRA-UHFFFAOYSA-N 1 0 384.318 2.498 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)c1nscc1I ZINC000911866302 654734570 /nfs/dbraw/zinc/73/45/70/654734570.db2.gz AIDQHVICPRPGGU-UHFFFAOYSA-N 1 0 381.283 2.455 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2cccn3ncc(Br)c23)CC1 ZINC000911874635 654734826 /nfs/dbraw/zinc/73/48/26/654734826.db2.gz CAPSCGCNLYZQKR-UHFFFAOYSA-N 1 0 381.274 2.067 20 0 GEADRO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000931229318 654734900 /nfs/dbraw/zinc/73/49/00/654734900.db2.gz NQQKULKUNBINOQ-GFCCVEGCSA-N 1 0 394.324 2.465 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000911931802 654736363 /nfs/dbraw/zinc/73/63/63/654736363.db2.gz CTYMFWNRCWVBFG-BPQIPLTHSA-N 1 0 393.325 2.250 20 0 GEADRO C[C@H](CCc1ccccc1)NC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911931312 654736403 /nfs/dbraw/zinc/73/64/03/654736403.db2.gz MJZJFQCDFDXHIE-CYBMUJFWSA-N 1 0 392.297 2.321 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000911933769 654736611 /nfs/dbraw/zinc/73/66/11/654736611.db2.gz QARSHHXXPBZQCI-UHFFFAOYSA-N 1 0 382.917 2.175 20 0 GEADRO C[NH+]1CCC(OCC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000931286241 654737070 /nfs/dbraw/zinc/73/70/70/654737070.db2.gz JBKGVKZVCSDUBY-KRWDZBQOSA-N 1 0 397.313 2.460 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911943666 654737257 /nfs/dbraw/zinc/73/72/57/654737257.db2.gz OHLZWTQKTZKJIB-ZDUSSCGKSA-N 1 0 385.302 2.132 20 0 GEADRO COc1ccc(CCC(=O)N(CCO)C2CC[NH+](C)CC2)c(Br)c1 ZINC000911948131 654737537 /nfs/dbraw/zinc/73/75/37/654737537.db2.gz PLZZDLAMRDJENN-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000912015444 654739905 /nfs/dbraw/zinc/73/99/05/654739905.db2.gz YERGTTDUGYRACV-SJCJKPOMSA-N 1 0 383.901 2.063 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000912040445 654740632 /nfs/dbraw/zinc/74/06/32/654740632.db2.gz NOOVMAJNNRTYFK-DVOMOZLQSA-N 1 0 380.286 2.010 20 0 GEADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000912059820 654741627 /nfs/dbraw/zinc/74/16/27/654741627.db2.gz ONXBMICCGRSTSZ-KRWDZBQOSA-N 1 0 383.286 2.017 20 0 GEADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000912064754 654741804 /nfs/dbraw/zinc/74/18/04/654741804.db2.gz FDJSBVRJLGORKW-ZIAGYGMSSA-N 1 0 385.295 2.251 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(I)cc3)C[C@@H]2C1 ZINC000931433967 654742365 /nfs/dbraw/zinc/74/23/65/654742365.db2.gz LJPWVESLBQDZHF-OLZOCXBDSA-N 1 0 399.276 2.113 20 0 GEADRO C[NH+](C)CC1(O)CCN(CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000931485539 654743522 /nfs/dbraw/zinc/74/35/22/654743522.db2.gz MHVHOBTUDCWJNR-QHCPKHFHSA-N 1 0 379.353 2.490 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)c3nccc(S(C)(=O)=O)n3)C2)s1 ZINC000912232021 654747036 /nfs/dbraw/zinc/74/70/36/654747036.db2.gz AARSVOIDPMOSBP-AWEZNQCLSA-N 1 0 380.539 2.208 20 0 GEADRO [NH3+]Cc1nocc1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000912235170 654747307 /nfs/dbraw/zinc/74/73/07/654747307.db2.gz STJSHSKJTWFRAQ-UHFFFAOYSA-N 1 0 383.235 2.038 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC000912289876 654748929 /nfs/dbraw/zinc/74/89/29/654748929.db2.gz PQISKYWVNCWQSQ-XIKOKIGWSA-N 1 0 382.291 2.420 20 0 GEADRO COC(=O)c1ccc(Br)c(C[NH+]2CCC3(CCNC3=O)CC2)c1 ZINC000931607766 654749083 /nfs/dbraw/zinc/74/90/83/654749083.db2.gz KVDMPZFQNJWXHQ-UHFFFAOYSA-N 1 0 381.270 2.338 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)CCC1 ZINC000931609333 654749208 /nfs/dbraw/zinc/74/92/08/654749208.db2.gz CWBGSJJDSFFOMY-GXTWGEPZSA-N 1 0 386.480 2.262 20 0 GEADRO COC1(OC)CC[N@H+](CCOc2cc(F)cc(Br)c2)C[C@@H]1O ZINC000931635326 654750050 /nfs/dbraw/zinc/75/00/50/654750050.db2.gz QLVRXOQPEZPLEG-AWEZNQCLSA-N 1 0 378.238 2.023 20 0 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C[NH+]1C[C@]2(C)CN(C(=O)CN3C(=S)N=NC3c3cccs3)C[C@@]2(C)C1 ZINC000913290731 654787998 /nfs/dbraw/zinc/78/79/98/654787998.db2.gz LCBRZJXUDYKEPC-IAGOWNOFSA-N 1 0 377.539 2.096 20 0 GEADRO CCn1c(Br)ncc1C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000913330610 654788899 /nfs/dbraw/zinc/78/88/99/654788899.db2.gz GOMXOYMLEFLADO-UHFFFAOYSA-N 1 0 399.333 2.383 20 0 GEADRO COc1ccc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1SC(F)(F)F ZINC000932954106 654797327 /nfs/dbraw/zinc/79/73/27/654797327.db2.gz ALAMWEKTHMCGDW-NSHDSACASA-N 1 0 384.445 2.418 20 0 GEADRO O=C(CCOc1ccccc1I)NC12CC[NH+](CC1)C2 ZINC000913633695 654802497 /nfs/dbraw/zinc/80/24/97/654802497.db2.gz KBFOIGUPHXXMKL-UHFFFAOYSA-N 1 0 386.233 2.025 20 0 GEADRO Cc1csc(C[C@@H]2CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000933124600 654803010 /nfs/dbraw/zinc/80/30/10/654803010.db2.gz AKDVNQSBLPLAGB-NSHDSACASA-N 1 0 378.420 2.094 20 0 GEADRO C[NH+]1CCC(NC(=O)CN2CCc3cc(F)c(Br)cc3C2)CC1 ZINC000933138366 654803554 /nfs/dbraw/zinc/80/35/54/654803554.db2.gz 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O=C(N1CCOCC1)C1([NH2+]Cc2ccc(Br)cn2)CCCCC1 ZINC000934059207 654835344 /nfs/dbraw/zinc/83/53/44/654835344.db2.gz UETZRBLWVHWSLL-UHFFFAOYSA-N 1 0 382.302 2.495 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)CCSC1 ZINC000934077084 654835830 /nfs/dbraw/zinc/83/58/30/654835830.db2.gz BXNQUDJGHDJKBH-BDJLRTHQSA-N 1 0 381.489 2.088 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)c2cnn3cccc(Br)c23)CCSC1 ZINC000934080584 654835855 /nfs/dbraw/zinc/83/58/55/654835855.db2.gz XQUTVSPUQFTAMM-OAHLLOKOSA-N 1 0 383.315 2.264 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCCSC(F)(F)F)C2)[C@@H]1C(C)C ZINC000914239111 654837778 /nfs/dbraw/zinc/83/77/78/654837778.db2.gz SAWQSJTVDWCMDX-CXTNEJHOSA-N 1 0 383.480 2.408 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1ccsc1Br ZINC000914244297 654838364 /nfs/dbraw/zinc/83/83/64/654838364.db2.gz GBGYMIBSSWZOAN-BXKDBHETSA-N 1 0 379.345 2.413 20 0 GEADRO Cc1c(Br)cncc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000934252860 654840148 /nfs/dbraw/zinc/84/01/48/654840148.db2.gz NUTMJBQFWRZBRD-LBPRGKRZSA-N 1 0 384.322 2.158 20 0 GEADRO O=C(CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)Nc1ccc(Br)cc1 ZINC000934259444 654840558 /nfs/dbraw/zinc/84/05/58/654840558.db2.gz QWWUCUNOMFAYDC-DLBZAZTESA-N 1 0 396.329 2.309 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CCCC(C)(F)F)CC2)CC1 ZINC000914271584 654840726 /nfs/dbraw/zinc/84/07/26/654840726.db2.gz WKYIMWAIPXKLDA-UHFFFAOYSA-N 1 0 381.533 2.242 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000934260839 654840823 /nfs/dbraw/zinc/84/08/23/654840823.db2.gz OGWAWGXHWCTEDK-DLBZAZTESA-N 1 0 396.329 2.227 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000934279046 654842923 /nfs/dbraw/zinc/84/29/23/654842923.db2.gz UYQIOFFSJCCOIS-AWEZNQCLSA-N 1 0 396.333 2.396 20 0 GEADRO Cc1ccc(CC(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000934307252 654843691 /nfs/dbraw/zinc/84/36/91/654843691.db2.gz CBHKCTPSCSWRIW-MRXNPFEDSA-N 1 0 386.945 2.158 20 0 GEADRO C[N@H+]1CC=C(CNS(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000914333008 654846182 /nfs/dbraw/zinc/84/61/82/654846182.db2.gz NTXTVTZREYYSTK-UHFFFAOYSA-N 1 0 377.279 2.270 20 0 GEADRO C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000914364085 654848542 /nfs/dbraw/zinc/84/85/42/654848542.db2.gz OTSOIMZKUVKFAO-BBRMVZONSA-N 1 0 381.318 2.279 20 0 GEADRO CN(Cc1ccco1)C(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934497220 654851179 /nfs/dbraw/zinc/85/11/79/654851179.db2.gz IAHIBWZTJAGDIE-QGZVFWFLSA-N 1 0 381.270 2.498 20 0 GEADRO Cc1cc(Br)ncc1OS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914410392 654852056 /nfs/dbraw/zinc/85/20/56/654852056.db2.gz LWPDTCCPFJKCMM-AWEZNQCLSA-N 1 0 375.288 2.347 20 0 GEADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000934548501 654852753 /nfs/dbraw/zinc/85/27/53/654852753.db2.gz POPDNHOGPCQAAF-GFCCVEGCSA-N 1 0 380.290 2.200 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000934578158 654853646 /nfs/dbraw/zinc/85/36/46/654853646.db2.gz SJLHWSPHFKOHSR-OOVXXXAESA-N 1 0 392.297 2.474 20 0 GEADRO Cn1cc(-c2nsc(NC(=O)NC[C@H](c3ccsc3)[NH+](C)C)n2)cn1 ZINC000934584903 654853682 /nfs/dbraw/zinc/85/36/82/654853682.db2.gz ZYSFUPKZWVHTFN-GFCCVEGCSA-N 1 0 377.499 2.425 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000934734002 654856443 /nfs/dbraw/zinc/85/64/43/654856443.db2.gz BFZRZFFYZWVKFR-UHFFFAOYSA-N 1 0 395.301 2.062 20 0 GEADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)CC2(F)CCC2)CC1 ZINC000915220756 654865597 /nfs/dbraw/zinc/86/55/97/654865597.db2.gz DLDBQSGJJSBWDI-MRXNPFEDSA-N 1 0 378.554 2.402 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000934981265 654869058 /nfs/dbraw/zinc/86/90/58/654869058.db2.gz AJKPJCWYENCYAJ-UHFFFAOYSA-N 1 0 398.349 2.111 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000915593290 654874439 /nfs/dbraw/zinc/87/44/39/654874439.db2.gz JTGIQHARTFCMBR-OCCSQVGLSA-N 1 0 397.317 2.478 20 0 GEADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935089925 654875202 /nfs/dbraw/zinc/87/52/02/654875202.db2.gz MKTVHAPUBSBJJN-NQBHXWOUSA-N 1 0 380.286 2.426 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C[C@H]1CCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000935093825 654875491 /nfs/dbraw/zinc/87/54/91/654875491.db2.gz WAKPVDCDYDMISZ-HUUCEWRRSA-N 1 0 380.501 2.169 20 0 GEADRO Cc1cc(C(F)(F)C(=O)N2CCC([N@H+](C)CCCO)CC2)cnc1Cl ZINC000935105828 654875814 /nfs/dbraw/zinc/87/58/14/654875814.db2.gz CGHMDLKICQWSCO-UHFFFAOYSA-N 1 0 375.847 2.440 20 0 GEADRO CS[C@H]1CN(C(=O)c2ccc3c(Br)cnn3c2)C[C@@H]1[NH+](C)C ZINC000935112693 654876465 /nfs/dbraw/zinc/87/64/65/654876465.db2.gz GOHXJSLTHZWGLB-KBPBESRZSA-N 1 0 383.315 2.214 20 0 GEADRO Cn1cc(Br)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1=O ZINC000935119437 654877069 /nfs/dbraw/zinc/87/70/69/654877069.db2.gz RWMLBYPFYVZYOZ-NVXWUHKLSA-N 1 0 390.281 2.323 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCCc1cc(C(F)(F)F)ccn1 ZINC000915893574 654881800 /nfs/dbraw/zinc/88/18/00/654881800.db2.gz YZCZGPFMOHVDNC-HNNXBMFYSA-N 1 0 377.432 2.048 20 0 GEADRO O=C(c1ncc(Br)cn1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000935295584 654885884 /nfs/dbraw/zinc/88/58/84/654885884.db2.gz OQLNBFGHLOZCDB-UHFFFAOYSA-N 1 0 397.317 2.204 20 0 GEADRO Cc1ccc(Br)c(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)n1 ZINC000935448776 654893976 /nfs/dbraw/zinc/89/39/76/654893976.db2.gz PCHMSFLYSMZQGM-UHFFFAOYSA-N 1 0 383.334 2.298 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)c1cnn(Cc3ccccc3)c1Br)C2 ZINC000935667659 654909632 /nfs/dbraw/zinc/90/96/32/654909632.db2.gz XGMUEFSWDHUKDQ-UHFFFAOYSA-N 1 0 389.297 2.472 20 0 GEADRO O=C1CN(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)CC2(CC[NH2+]CC2)N1 ZINC001164388354 718808885 /nfs/dbraw/zinc/80/88/85/718808885.db2.gz BZGZPFGSVYIAKV-UHFFFAOYSA-N 1 0 399.804 2.026 20 0 GEADRO Clc1nc2c(c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164391904 718822279 /nfs/dbraw/zinc/82/22/79/718822279.db2.gz XSFPJEYSLMZMAW-WMZOPIPTSA-N 1 0 385.899 2.213 20 0 GEADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164403864 718852289 /nfs/dbraw/zinc/85/22/89/718852289.db2.gz JGCMCBGARVSOPA-DYVFJYSZSA-N 1 0 380.826 2.360 20 0 GEADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164409139 718854901 /nfs/dbraw/zinc/85/49/01/718854901.db2.gz UHWYGEQXMQGHEC-PIGZYNQJSA-N 1 0 398.816 2.499 20 0 GEADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425867 718919195 /nfs/dbraw/zinc/91/91/95/718919195.db2.gz WBKCGTIYGNRJEL-CQSZACIVSA-N 1 0 398.237 2.398 20 0 GEADRO O=C1COCC2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)N1 ZINC001164422774 718934042 /nfs/dbraw/zinc/93/40/42/718934042.db2.gz AVCPKOFZMWLVAE-UHFFFAOYSA-N 1 0 392.503 2.125 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(SC)n1 ZINC001164619407 719012917 /nfs/dbraw/zinc/01/29/17/719012917.db2.gz WEYOXUYRPOXTHC-GUBZILKMSA-N 1 0 392.859 2.127 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ncc3OC)CC2)CC1 ZINC001164613845 719021368 /nfs/dbraw/zinc/02/13/68/719021368.db2.gz HGQHMIDPGCISLM-UHFFFAOYSA-N 1 0 382.892 2.383 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(Cl)cc3C(N)=O)CC2)CC1 ZINC001164614398 719021963 /nfs/dbraw/zinc/02/19/63/719021963.db2.gz SBVWPEBFTLAEGQ-UHFFFAOYSA-N 1 0 394.903 2.078 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)ncc3C(N)=O)CC2)CC1 ZINC001164613783 719022187 /nfs/dbraw/zinc/02/21/87/719022187.db2.gz DORYEBQSXAVTKN-UHFFFAOYSA-N 1 0 394.903 2.078 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(OC)nc(SC)n3)CC2)CC1 ZINC001164617799 719026592 /nfs/dbraw/zinc/02/65/92/719026592.db2.gz OZQBLJHPKRHGDN-UHFFFAOYSA-N 1 0 394.541 2.451 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(OC)ncc3Cl)CC2)CC1 ZINC001164618876 719033715 /nfs/dbraw/zinc/03/37/15/719033715.db2.gz ZSACGOCPBXTATQ-UHFFFAOYSA-N 1 0 382.892 2.383 20 0 GEADRO O=C1CCCN1[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@H]2CCCO[C@@H]21 ZINC001164653166 719304573 /nfs/dbraw/zinc/30/45/73/719304573.db2.gz OVIRXVGJGLRGKD-KNKQGSTJSA-N 1 0 384.524 2.284 20 0 GEADRO C[N@@H+]1CCO[C@@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@@H]21 ZINC001164665227 719379398 /nfs/dbraw/zinc/37/93/98/719379398.db2.gz AKFJLJAZCZAFDO-DLBZAZTESA-N 1 0 386.883 2.184 20 0 GEADRO Fc1ccc(CN2CCOCC23CCN(c2cc(C4C[NH2+]C4)ncn2)CC3)cc1 ZINC001164679216 719533084 /nfs/dbraw/zinc/53/30/84/719533084.db2.gz VVMUZHYZHFFEJS-UHFFFAOYSA-N 1 0 397.498 2.174 20 0 GEADRO CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164676640 719555156 /nfs/dbraw/zinc/55/51/56/719555156.db2.gz DKNRODBYTBCQEH-OAHLLOKOSA-N 1 0 381.904 2.356 20 0 GEADRO COC(=O)/C=C/c1cc(C)cnc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684614 719633827 /nfs/dbraw/zinc/63/38/27/719633827.db2.gz VJAIRLBVQFQXCR-VOTSOKGWSA-N 1 0 383.496 2.248 20 0 GEADRO C=Cc1nc(Cl)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1OC ZINC001164679431 719636850 /nfs/dbraw/zinc/63/68/50/719636850.db2.gz AKFKEKAINWXMAE-UHFFFAOYSA-N 1 0 376.892 2.453 20 0 GEADRO CC(C)N(C)Cc1nn(-c2ccc(N3CCC(C)CC3)nn2)c2c1CC[NH2+]C2 ZINC001164680531 719640240 /nfs/dbraw/zinc/64/02/40/719640240.db2.gz UTOCMNJUGYXOBP-UHFFFAOYSA-N 1 0 383.544 2.385 20 0 GEADRO CC(C)N(C)Cc1nn(-c2nc(C(N)=O)cc3ccccc32)c2c1CC[NH2+]C2 ZINC001164679442 719643121 /nfs/dbraw/zinc/64/31/21/719643121.db2.gz AOILUXGKCWDUOD-UHFFFAOYSA-N 1 0 378.480 2.005 20 0 GEADRO CCOC(=O)c1cc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)ncc1Cl ZINC001164686310 719700052 /nfs/dbraw/zinc/70/00/52/719700052.db2.gz ZASQGKYPHIXOGF-UHFFFAOYSA-N 1 0 394.903 2.093 20 0 GEADRO O=C1C[C@@H]2[C@@H](CCN2c2ccc(C[NH+]3CCCC3)cn2)N1Cc1cccnc1 ZINC001164690470 719771783 /nfs/dbraw/zinc/77/17/83/719771783.db2.gz CJCDPWJLUGZXCB-WOJBJXKFSA-N 1 0 377.492 2.452 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C)c1C(N)=O)C2 ZINC001164810375 720075523 /nfs/dbraw/zinc/07/55/23/720075523.db2.gz LHQZNNDMUPOCSR-QRWLVFNGSA-N 1 0 392.931 2.327 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(C)c1C(N)=O)C2 ZINC001164810373 720076070 /nfs/dbraw/zinc/07/60/70/720076070.db2.gz LHQZNNDMUPOCSR-FOIQADDNSA-N 1 0 392.931 2.327 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)ncc1C(N)=O)C2 ZINC001164806306 720077997 /nfs/dbraw/zinc/07/79/97/720077997.db2.gz BLOKKRHKCVBQMQ-AUUYWEPGSA-N 1 0 378.904 2.019 20 0 GEADRO CCOC(=O)Cc1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164812763 720083084 /nfs/dbraw/zinc/08/30/84/720083084.db2.gz RSEKAKNHEMJJCG-DENIHFKCSA-N 1 0 387.524 2.372 20 0 GEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)ncn1)CC2 ZINC001164710309 720092227 /nfs/dbraw/zinc/09/22/27/720092227.db2.gz IKJSHUZPCGMVAJ-GOSISDBHSA-N 1 0 383.496 2.388 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(OC)cc1C(=O)OC)C2 ZINC001164809263 720097330 /nfs/dbraw/zinc/09/73/30/720097330.db2.gz JDVVZIKOJFRGKS-IERDGZPVSA-N 1 0 389.496 2.062 20 0 GEADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1C ZINC001164815885 720109633 /nfs/dbraw/zinc/10/96/33/720109633.db2.gz WXKPKXFBOCOSGL-DYESRHJHSA-N 1 0 388.512 2.146 20 0 GEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1N(C)C)CC2 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ZPKRBCYZTNPHGT-ZWKOTPCHSA-N 1 0 377.496 2.030 20 0 GEADRO C[NH+](C)[C@H]1CCCN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC001165034628 721894279 /nfs/dbraw/zinc/89/42/79/721894279.db2.gz GKWRRBZZPUBWBF-AWEZNQCLSA-N 1 0 376.482 2.203 20 0 GEADRO COC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164938961 721923001 /nfs/dbraw/zinc/92/30/01/721923001.db2.gz DMEQGJVBWYQHPY-UHFFFAOYSA-N 1 0 396.491 2.443 20 0 GEADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(F)cc4C(N)=O)CC3)C2)cc1 ZINC001164940106 721929566 /nfs/dbraw/zinc/92/95/66/721929566.db2.gz QFEIYGRMMGSWJF-UHFFFAOYSA-N 1 0 398.482 2.499 20 0 GEADRO CN(CC1CC[NH+](C)CC1)c1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC001165042493 721935993 /nfs/dbraw/zinc/93/59/93/721935993.db2.gz HDUKWFXSTUHZEO-UHFFFAOYSA-N 1 0 390.509 2.450 20 0 GEADRO COC(=O)c1nc2cnccc2c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165044187 721957356 /nfs/dbraw/zinc/95/73/56/721957356.db2.gz IMVOIKDLGXKGJD-UHFFFAOYSA-N 1 0 393.447 2.012 20 0 GEADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]21 ZINC001164943701 721958915 /nfs/dbraw/zinc/95/89/15/721958915.db2.gz IYBGSHFIXLKREU-SFTDATJTSA-N 1 0 397.523 2.370 20 0 GEADRO COc1cc2ncnc(N3CC[NH+](CCc4ccccn4)CC3)c2cc1OC ZINC001165054370 722009966 /nfs/dbraw/zinc/00/99/66/722009966.db2.gz WHBYWFZFXLXCHC-UHFFFAOYSA-N 1 0 379.464 2.407 20 0 GEADRO Clc1cc(C2CC[NH2+]CC2)nc(N2CCN(CCc3ccccn3)CC2)n1 ZINC001165053200 722010979 /nfs/dbraw/zinc/01/09/79/722010979.db2.gz ATIHVRVNQNJVRI-UHFFFAOYSA-N 1 0 386.931 2.357 20 0 GEADRO COc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1OC ZINC001164963185 722055814 /nfs/dbraw/zinc/05/58/14/722055814.db2.gz HZNXCZZAIPXJQX-UHFFFAOYSA-N 1 0 399.495 2.008 20 0 GEADRO CCN(C)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985163 722098794 /nfs/dbraw/zinc/09/87/94/722098794.db2.gz VDRQQTNRDGOIEK-RBUKOAKNSA-N 1 0 382.512 2.055 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc(NC5CC5)n4)CC[C@@H]3C2)c1 ZINC001164976319 722098862 /nfs/dbraw/zinc/09/88/62/722098862.db2.gz COBVKBUECOULTJ-MJGOQNOKSA-N 1 0 380.496 2.173 20 0 GEADRO Cc1nc2[nH]ccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982842 722105987 /nfs/dbraw/zinc/10/59/87/722105987.db2.gz PJIKJXZSDZHOEW-MJGOQNOKSA-N 1 0 378.480 2.389 20 0 GEADRO CCOC(=O)c1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164970903 722110066 /nfs/dbraw/zinc/11/00/66/722110066.db2.gz AMBOORDLIZEDIY-UYAOXDASSA-N 1 0 396.491 2.381 20 0 GEADRO COC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164973113 722111811 /nfs/dbraw/zinc/11/18/11/722111811.db2.gz GPUNIJFVZJYZNC-ICSRJNTNSA-N 1 0 396.491 2.299 20 0 GEADRO c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nnc2c1 ZINC001164981735 722145604 /nfs/dbraw/zinc/14/56/04/722145604.db2.gz QFUINWWGXRGPEH-FXAWDEMLSA-N 1 0 376.464 2.147 20 0 GEADRO COCCO[C@H]1CCN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@@H]1Cc1cnn(C)c1 ZINC001164999685 722225209 /nfs/dbraw/zinc/22/52/09/722225209.db2.gz OAFGXCWHRLVJRS-RTWAWAEBSA-N 1 0 399.539 2.262 20 0 GEADRO COc1nc(Cl)nc(C)c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001811 722253362 /nfs/dbraw/zinc/25/33/62/722253362.db2.gz GINCZGWQWKTEFX-UHFFFAOYSA-N 1 0 394.907 2.132 20 0 GEADRO COc1ccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ncc2c1 ZINC001165002888 722254165 /nfs/dbraw/zinc/25/41/65/722254165.db2.gz WDLLZJLECNOHMN-UHFFFAOYSA-N 1 0 396.495 2.323 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000528692295 531373456 /nfs/dbraw/zinc/37/34/56/531373456.db2.gz VTXGGKYNMZGIBZ-VIFPVBQESA-N 1 0 398.286 2.078 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C1 ZINC000481913186 531391238 /nfs/dbraw/zinc/39/12/38/531391238.db2.gz LYSFVHHNMJWBKH-HNNXBMFYSA-N 1 0 385.852 2.186 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000151718876 531517315 /nfs/dbraw/zinc/51/73/15/531517315.db2.gz PRXVUCMCGMFYIE-CQSZACIVSA-N 1 0 376.284 2.405 20 0 GEADRO C[C@H]1C[C@@H](CNS(=O)(=O)c2ncn(C)c2Cl)C[N@@H+]1Cc1ccccc1 ZINC000151962530 531523002 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C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000153799160 531610402 /nfs/dbraw/zinc/61/04/02/531610402.db2.gz NYSGNNHTBFYFAD-VIFPVBQESA-N 1 0 390.228 2.124 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000153941309 531615029 /nfs/dbraw/zinc/61/50/29/531615029.db2.gz BQRKWBXJTGUTGA-UHFFFAOYSA-N 1 0 393.962 2.013 20 0 GEADRO CN(C(=O)CCNC(=O)c1ccc(Br)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000153973081 531615060 /nfs/dbraw/zinc/61/50/60/531615060.db2.gz QVHZBFXTCQUSMY-HNNXBMFYSA-N 1 0 382.302 2.122 20 0 GEADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000153974619 531614670 /nfs/dbraw/zinc/61/46/70/531614670.db2.gz LEEDQKWURCBEAW-DOMZBBRYSA-N 1 0 382.302 2.107 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C[C@@H](C)[NH2+]1 ZINC000154056561 531619122 /nfs/dbraw/zinc/61/91/22/531619122.db2.gz ZEZCAIGECIKFTB-UPJWGTAASA-N 1 0 380.286 2.011 20 0 GEADRO [NH3+]Cc1ccc(C(=O)NCCCNC(=O)c2cccc(Br)c2)o1 ZINC000154424197 531626081 /nfs/dbraw/zinc/62/60/81/531626081.db2.gz UFSUMAYMCLHDEP-UHFFFAOYSA-N 1 0 380.242 2.051 20 0 GEADRO C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1cncs1 ZINC000154822345 531635821 /nfs/dbraw/zinc/63/58/21/531635821.db2.gz ABCYOSSGPQCQNQ-AWEZNQCLSA-N 1 0 381.523 2.156 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000154864554 531637792 /nfs/dbraw/zinc/63/77/92/531637792.db2.gz SQGDDGMYMWNYFJ-MRXNPFEDSA-N 1 0 394.313 2.266 20 0 GEADRO C[C@H](NC(=O)C[NH+]1CCC(OCCCO)CC1)c1ccc(Br)cc1 ZINC000154893529 531639250 /nfs/dbraw/zinc/63/92/50/531639250.db2.gz YFBQJFSBUJKARI-AWEZNQCLSA-N 1 0 399.329 2.490 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)COc2cccc(Br)c2)CC1 ZINC000042593696 531669228 /nfs/dbraw/zinc/66/92/28/531669228.db2.gz VPFOORZDEXFOKP-UHFFFAOYSA-N 1 0 398.345 2.362 20 0 GEADRO COc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1Br ZINC000042579828 531670247 /nfs/dbraw/zinc/67/02/47/531670247.db2.gz LROQQDAGXGTDRL-INIZCTEOSA-N 1 0 398.345 2.460 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000155010137 531649383 /nfs/dbraw/zinc/64/93/83/531649383.db2.gz HCBWSJBJOVTVGK-UHFFFAOYSA-N 1 0 396.329 2.478 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000155001640 531649904 /nfs/dbraw/zinc/64/99/04/531649904.db2.gz XTLKOVAZHRHZNZ-OAHLLOKOSA-N 1 0 389.924 2.021 20 0 GEADRO CNC(=O)CCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000155006961 531649942 /nfs/dbraw/zinc/64/99/42/531649942.db2.gz HMSOEFHCKBVXMG-ZDUSSCGKSA-N 1 0 384.318 2.254 20 0 GEADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000032663514 531654049 /nfs/dbraw/zinc/65/40/49/531654049.db2.gz APJBHGQBLFIBSY-CYBMUJFWSA-N 1 0 382.302 2.170 20 0 GEADRO CN(CC(=O)Nc1ccccc1I)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746837 531661094 /nfs/dbraw/zinc/66/10/94/531661094.db2.gz MVDFNRZIKKHIEI-FUNVUKJBSA-N 1 0 399.276 2.445 20 0 GEADRO COc1ccc(CCC(=O)N2CCN(CC[NH+](C)C)CC2)cc1Br ZINC000044606934 531682219 /nfs/dbraw/zinc/68/22/19/531682219.db2.gz HSQWWDSLLOYTCS-UHFFFAOYSA-N 1 0 398.345 2.096 20 0 GEADRO COc1cc(S(=O)(=O)NCC[N@H+](C)C(C)C)c(OC)cc1Br ZINC000155611749 531692641 /nfs/dbraw/zinc/69/26/41/531692641.db2.gz BPUTYHOMLXKXNK-UHFFFAOYSA-N 1 0 395.319 2.085 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000047107710 531711806 /nfs/dbraw/zinc/71/18/06/531711806.db2.gz CTNQMWAPGWKVEP-UHFFFAOYSA-N 1 0 395.301 2.006 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1cncc(Br)c1 ZINC000155880734 531703710 /nfs/dbraw/zinc/70/37/10/531703710.db2.gz NPWDOZFSMXJJIH-UHFFFAOYSA-N 1 0 390.285 2.390 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000046782945 531707467 /nfs/dbraw/zinc/70/74/67/531707467.db2.gz IBNXFYMEBCUXLJ-UHFFFAOYSA-N 1 0 382.346 2.480 20 0 GEADRO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C[NH+]1CCCC1 ZINC000047920065 531724549 /nfs/dbraw/zinc/72/45/49/531724549.db2.gz XLSJTRLJMNUGEQ-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(CC(N)=O)CC1 ZINC000048026230 531725944 /nfs/dbraw/zinc/72/59/44/531725944.db2.gz OODFQRCIWQICQM-CYBMUJFWSA-N 1 0 396.329 2.383 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2cccc(I)c2)CC1 ZINC000048069696 531726179 /nfs/dbraw/zinc/72/61/79/531726179.db2.gz HYDMVGNTKIYPLV-UHFFFAOYSA-N 1 0 388.249 2.086 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000048361437 531729358 /nfs/dbraw/zinc/72/93/58/531729358.db2.gz MFGLGQBLJGERNR-MNOVXSKESA-N 1 0 388.331 2.229 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000048427626 531732037 /nfs/dbraw/zinc/73/20/37/531732037.db2.gz VYQVZWGEMYEXMD-CQSZACIVSA-N 1 0 385.302 2.397 20 0 GEADRO Cn1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc(Br)c1=O ZINC000156120563 531716904 /nfs/dbraw/zinc/71/69/04/531716904.db2.gz BXXCDLJZTCNAPB-UHFFFAOYSA-N 1 0 383.290 2.240 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c1=O ZINC000156152520 531718869 /nfs/dbraw/zinc/71/88/69/531718869.db2.gz ZPWMRYUYNGBOLG-UHFFFAOYSA-N 1 0 381.274 2.016 20 0 GEADRO CC(=O)NCC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000047772119 531720144 /nfs/dbraw/zinc/72/01/44/531720144.db2.gz SBATYHFEMUCJBE-ZDUSSCGKSA-N 1 0 396.329 2.474 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000156190428 531720872 /nfs/dbraw/zinc/72/08/72/531720872.db2.gz OKUIKXOISPFKRY-GHMZBOCLSA-N 1 0 398.248 2.138 20 0 GEADRO C[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000047905635 531721287 /nfs/dbraw/zinc/72/12/87/531721287.db2.gz YESRRHICGRQPMU-CQSZACIVSA-N 1 0 396.329 2.417 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000156190557 531721256 /nfs/dbraw/zinc/72/12/56/531721256.db2.gz OKUIKXOISPFKRY-QWRGUYRKSA-N 1 0 398.248 2.138 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CC[NH2+]CC1 ZINC000049186760 531734187 /nfs/dbraw/zinc/73/41/87/531734187.db2.gz QTCXCXRLAOLLSQ-VIFPVBQESA-N 1 0 391.107 2.444 20 0 GEADRO COc1cc(CNC(=O)[C@H]([NH3+])CCSC)cc(Br)c1OC ZINC000157265967 531735417 /nfs/dbraw/zinc/73/54/17/531735417.db2.gz GTNLMTDNCSLFBD-LLVKDONJSA-N 1 0 377.304 2.163 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000157445111 531741865 /nfs/dbraw/zinc/74/18/65/531741865.db2.gz WVVKJEXFJZBXGT-ZDUSSCGKSA-N 1 0 382.507 2.334 20 0 GEADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000157405733 531742450 /nfs/dbraw/zinc/74/24/50/531742450.db2.gz RPOODTDGFDNJAU-PXAZEXFGSA-N 1 0 384.318 2.447 20 0 GEADRO C[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc(I)cc2C)C1 ZINC000053203698 531756954 /nfs/dbraw/zinc/75/69/54/531756954.db2.gz XMGMPMPLGKBLGH-CYBMUJFWSA-N 1 0 387.265 2.222 20 0 GEADRO O=C(COc1ccc(Br)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052850771 531750693 /nfs/dbraw/zinc/75/06/93/531750693.db2.gz JTNOPQCABSTKRT-UHFFFAOYSA-N 1 0 396.329 2.068 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[NH+]1CCCC1 ZINC000052851590 531751159 /nfs/dbraw/zinc/75/11/59/531751159.db2.gz NMYFPKVNIGODEN-MRXNPFEDSA-N 1 0 383.945 2.404 20 0 GEADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cccn2c(I)cnc12 ZINC000158118844 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DUQXYUJJVKVXRG-ZDUSSCGKSA-N 1 0 397.317 2.419 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000055269090 531786125 /nfs/dbraw/zinc/78/61/25/531786125.db2.gz GXSSPNPCSPIXJH-UHFFFAOYSA-N 1 0 388.896 2.274 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000056129492 531808604 /nfs/dbraw/zinc/80/86/04/531808604.db2.gz PUXZWQMYMOFDEJ-CQSZACIVSA-N 1 0 382.302 2.258 20 0 GEADRO CNC(=O)c1cccc(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162150207 531835703 /nfs/dbraw/zinc/83/57/03/531835703.db2.gz ULRRNKKPQOBEDF-MRXNPFEDSA-N 1 0 390.281 2.167 20 0 GEADRO COc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1Br ZINC000162748472 531850041 /nfs/dbraw/zinc/85/00/41/531850041.db2.gz PFVNPURFMLGXDF-INIZCTEOSA-N 1 0 396.329 2.196 20 0 GEADRO Cc1cccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1Br ZINC000162465197 531843217 /nfs/dbraw/zinc/84/32/17/531843217.db2.gz SMHUNKFOKLBFIQ-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000162640990 531844951 /nfs/dbraw/zinc/84/49/51/531844951.db2.gz BNIYWLNERSJOOR-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO O=C(C1CCN(Cc2cc(O)ccc2Br)CC1)N1CCOCC1 ZINC000162674743 531845924 /nfs/dbraw/zinc/84/59/24/531845924.db2.gz LBQFNIVDNANPML-UHFFFAOYSA-N 1 0 383.286 2.226 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Cl ZINC000060855819 531847724 /nfs/dbraw/zinc/84/77/24/531847724.db2.gz CKPAWCLRJYHCOE-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000063667044 531858928 /nfs/dbraw/zinc/85/89/28/531858928.db2.gz PPXCIPYMXSXQJD-UHFFFAOYSA-N 1 0 379.302 2.298 20 0 GEADRO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000064432016 531864924 /nfs/dbraw/zinc/86/49/24/531864924.db2.gz IJBBVFOYQGPUQR-CYBMUJFWSA-N 1 0 387.267 2.371 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000166066914 531875121 /nfs/dbraw/zinc/87/51/21/531875121.db2.gz SPFNRCHIRASVAN-QGZVFWFLSA-N 1 0 375.579 2.034 20 0 GEADRO Brc1cnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc1 ZINC000067372086 531883356 /nfs/dbraw/zinc/88/33/56/531883356.db2.gz ZUNGXDZOLNHCLP-UHFFFAOYSA-N 1 0 392.305 2.043 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[NH+](CC(C)(C)O)CC1 ZINC000171151008 531896272 /nfs/dbraw/zinc/89/62/72/531896272.db2.gz FWEHBNRBFCQSLK-ZDUSSCGKSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[NH+]1CCCC1 ZINC000068064539 531896483 /nfs/dbraw/zinc/89/64/83/531896483.db2.gz MJFUJPOSLGDGNP-XJKSGUPXSA-N 1 0 394.313 2.403 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000171162224 531897059 /nfs/dbraw/zinc/89/70/59/531897059.db2.gz JEUYOVQVTQRUPN-UHFFFAOYSA-N 1 0 385.306 2.417 20 0 GEADRO Cc1nn(C)c(Cl)c1CSCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000068955864 531907309 /nfs/dbraw/zinc/90/73/09/531907309.db2.gz KHMULRZMVXFKPB-AWEZNQCLSA-N 1 0 388.965 2.088 20 0 GEADRO CC(C)[N@@H+]1CCCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000069080626 531910707 /nfs/dbraw/zinc/91/07/07/531910707.db2.gz PZELBJXGSNBCGR-UHFFFAOYSA-N 1 0 379.306 2.341 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)s1 ZINC000069124692 531910863 /nfs/dbraw/zinc/91/08/63/531910863.db2.gz LPTAVVZRDKAMHC-HNNXBMFYSA-N 1 0 385.555 2.023 20 0 GEADRO COc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1O ZINC000069876061 531913101 /nfs/dbraw/zinc/91/31/01/531913101.db2.gz XJOGUKUSNWEUSM-UHFFFAOYSA-N 1 0 382.404 2.052 20 0 GEADRO COC(=O)[C@H](C)C[N@H+](C[C@H](O)COc1ccc(Br)cc1)C1CC1 ZINC000171301834 531904775 /nfs/dbraw/zinc/90/47/75/531904775.db2.gz VFQGDBVWMJDOGI-DOMZBBRYSA-N 1 0 386.286 2.462 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000068590432 531904947 /nfs/dbraw/zinc/90/49/47/531904947.db2.gz CIIGYADHKBIYLH-GFCCVEGCSA-N 1 0 385.306 2.335 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171807046 531919454 /nfs/dbraw/zinc/91/94/54/531919454.db2.gz CWHOJHFKVAVKKA-LBPRGKRZSA-N 1 0 381.274 2.166 20 0 GEADRO [NH3+]CCCOCCNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000625890496 531916745 /nfs/dbraw/zinc/91/67/45/531916745.db2.gz KLQYSUAWTBGPHW-UHFFFAOYSA-N 1 0 382.262 2.122 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@H](CNc2cc(Br)cc(F)c2C(N)=O)C1 ZINC000094132320 531931262 /nfs/dbraw/zinc/93/12/62/531931262.db2.gz QXOHORYXLOEAGT-GFCCVEGCSA-N 1 0 388.281 2.456 20 0 GEADRO O=C(CSc1cccc[n+]1[O-])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112199079 531946014 /nfs/dbraw/zinc/94/60/14/531946014.db2.gz SXVZXZOYFCNQGY-UHFFFAOYSA-N 1 0 381.567 2.280 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000172390561 531951202 /nfs/dbraw/zinc/95/12/02/531951202.db2.gz PHRYXQWGJGQYRI-ZDUSSCGKSA-N 1 0 378.274 2.192 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172416122 531951678 /nfs/dbraw/zinc/95/16/78/531951678.db2.gz ZVOPIVMHYWVDSG-UHFFFAOYSA-N 1 0 382.302 2.088 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000119265331 531964145 /nfs/dbraw/zinc/96/41/45/531964145.db2.gz FIIIANRBLSFJRW-LBPRGKRZSA-N 1 0 384.479 2.243 20 0 GEADRO CCN(CCC[NH2+]Cc1cc(OC)ccc1Br)S(C)(=O)=O ZINC000115757521 531958877 /nfs/dbraw/zinc/95/88/77/531958877.db2.gz WGKQSSTXKDGBPB-UHFFFAOYSA-N 1 0 379.320 2.219 20 0 GEADRO COC[C@@H](C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000117912020 531962398 /nfs/dbraw/zinc/96/23/98/531962398.db2.gz USRLZICABDOCLX-CYBMUJFWSA-N 1 0 393.347 2.177 20 0 GEADRO COc1ccc(Br)cc1C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000119272652 531963890 /nfs/dbraw/zinc/96/38/90/531963890.db2.gz RIPBDFDVVPTJKA-UHFFFAOYSA-N 1 0 393.285 2.149 20 0 GEADRO C[NH+](C)C1(CNC(=O)CSc2ccc(C(F)(F)F)cn2)CCOCC1 ZINC000114055022 531954720 /nfs/dbraw/zinc/95/47/20/531954720.db2.gz HQJKTHWQBKCKIH-UHFFFAOYSA-N 1 0 377.432 2.420 20 0 GEADRO C[NH+](C)C1(CNC(=O)NCc2cc(F)cc(Br)c2)CCOCC1 ZINC000114022482 531954801 /nfs/dbraw/zinc/95/48/01/531954801.db2.gz YMDKQAZRIMBNEM-UHFFFAOYSA-N 1 0 388.281 2.498 20 0 GEADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000119298026 531964794 /nfs/dbraw/zinc/96/47/94/531964794.db2.gz AJNVOGCFHVICKU-UHFFFAOYSA-N 1 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ZINC000120735014 531992742 /nfs/dbraw/zinc/99/27/42/531992742.db2.gz RBGWKBWCVPHNRW-NEPJUHHUSA-N 1 0 398.301 2.337 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1Br ZINC000120776314 531993570 /nfs/dbraw/zinc/99/35/70/531993570.db2.gz REVQJYPXZGVEIV-BDJLRTHQSA-N 1 0 388.306 2.131 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000120775352 531993722 /nfs/dbraw/zinc/99/37/22/531993722.db2.gz DWKMFCNPLWWPMD-JQWIXIFHSA-N 1 0 386.265 2.468 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccnc3Br)C2)CC1 ZINC000120322302 531982467 /nfs/dbraw/zinc/98/24/67/531982467.db2.gz VIUWYVQTDNVGDI-ZDUSSCGKSA-N 1 0 382.306 2.088 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cccc(Br)c2C)CC1 ZINC000173066284 531985111 /nfs/dbraw/zinc/98/51/11/531985111.db2.gz IYJFXVDAXQFVEZ-UHFFFAOYSA-N 1 0 396.329 2.384 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000173088042 531985784 /nfs/dbraw/zinc/98/57/84/531985784.db2.gz BTOKUHBYAKRCJX-UHFFFAOYSA-N 1 0 398.345 2.144 20 0 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GEADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000176073846 532124541 /nfs/dbraw/zinc/12/45/41/532124541.db2.gz VTRGOWYTHDZSSI-UHFFFAOYSA-N 1 0 386.265 2.375 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C[N@@H+]1C1CC1 ZINC000124195014 532116108 /nfs/dbraw/zinc/11/61/08/532116108.db2.gz SQNXYZZXFHJFDM-YPMHNXCESA-N 1 0 390.285 2.385 20 0 GEADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cccnc1Br ZINC000125604562 532139142 /nfs/dbraw/zinc/13/91/42/532139142.db2.gz QRAYZZBBCUIWSX-OAHLLOKOSA-N 1 0 390.281 2.475 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000176539424 532139657 /nfs/dbraw/zinc/13/96/57/532139657.db2.gz IRYCOBZDMSTSBG-UHFFFAOYSA-N 1 0 387.571 2.144 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)C1 ZINC000176089055 532125451 /nfs/dbraw/zinc/12/54/51/532125451.db2.gz MYDJJLXXGZWVDM-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO [NH3+]C[C@@H](NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)C1CC1 ZINC000124657891 532126222 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C[NH+](C)CCN1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000125437450 532135716 /nfs/dbraw/zinc/13/57/16/532135716.db2.gz ALMWCCAYQHWPFM-UHFFFAOYSA-N 1 0 393.329 2.179 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N(C)CC[NH+](C)C)ccc1Cl ZINC000176800373 532150057 /nfs/dbraw/zinc/15/00/57/532150057.db2.gz GLZBHWRQRROFCO-UHFFFAOYSA-N 1 0 390.937 2.396 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O ZINC000126890941 532151547 /nfs/dbraw/zinc/15/15/47/532151547.db2.gz SOYUTPUUVLYEPV-JTQLQIEISA-N 1 0 388.693 2.451 20 0 GEADRO CCn1c(CC[NH3+])nnc1Sc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000176820641 532151581 /nfs/dbraw/zinc/15/15/81/532151581.db2.gz YRWRBLXLTVHRGK-UHFFFAOYSA-N 1 0 380.417 2.244 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1Br ZINC000126912722 532151589 /nfs/dbraw/zinc/15/15/89/532151589.db2.gz NHXRZDSFIOVULK-UHFFFAOYSA-N 1 0 393.285 2.457 20 0 GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CCC(=O)NC1 ZINC000126898995 532151701 /nfs/dbraw/zinc/15/17/01/532151701.db2.gz 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CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000126281320 532147833 /nfs/dbraw/zinc/14/78/33/532147833.db2.gz GSTHMEYKOYCPHE-LBPRGKRZSA-N 1 0 386.290 2.378 20 0 GEADRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1nc(-c2cccs2)cs1 ZINC000128744698 532167363 /nfs/dbraw/zinc/16/73/63/532167363.db2.gz RGEJPRZVYHUYPC-UHFFFAOYSA-N 1 0 395.539 2.151 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000128989685 532170330 /nfs/dbraw/zinc/17/03/30/532170330.db2.gz CYOHWYLZSPRQNZ-UHFFFAOYSA-N 1 0 398.301 2.244 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000127673234 532155857 /nfs/dbraw/zinc/15/58/57/532155857.db2.gz KMSMSMKYDHPUCW-HIFRSBDPSA-N 1 0 394.313 2.088 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000127672807 532156131 /nfs/dbraw/zinc/15/61/31/532156131.db2.gz KMSMSMKYDHPUCW-UKRRQHHQSA-N 1 0 394.313 2.088 20 0 GEADRO COc1cc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)ccc1OCCO ZINC000127694641 532157061 /nfs/dbraw/zinc/15/70/61/532157061.db2.gz PEHVZLYYRBDOAJ-LBPRGKRZSA-N 1 0 384.274 2.204 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1 ZINC000176973485 532157417 /nfs/dbraw/zinc/15/74/17/532157417.db2.gz KDFXCJRXEWJCEM-UHFFFAOYSA-N 1 0 398.282 2.498 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CNC[C@](C)(O)C[NH+](C)C ZINC000127888934 532157789 /nfs/dbraw/zinc/15/77/89/532157789.db2.gz DUVFVQJUINBOHK-KRWDZBQOSA-N 1 0 381.318 2.345 20 0 GEADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c(OC)c1 ZINC000127907412 532158000 /nfs/dbraw/zinc/15/80/00/532158000.db2.gz WMZOUEYPMUNJGC-UHFFFAOYSA-N 1 0 390.914 2.487 20 0 GEADRO C[N@H+](CCNC(=O)c1c[nH]c(=O)c(Br)c1)Cc1ccc(F)cc1 ZINC000177080437 532161492 /nfs/dbraw/zinc/16/14/92/532161492.db2.gz TVVDLSMPJOHQMG-UHFFFAOYSA-N 1 0 382.233 2.138 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1nnc[nH]1 ZINC000177182211 532164130 /nfs/dbraw/zinc/16/41/30/532164130.db2.gz MSQFXKDRKGNOFZ-UHFFFAOYSA-N 1 0 380.290 2.090 20 0 GEADRO C[N@H+](CC(=O)N1CCN(c2nc3ccccc3s2)CC1)[C@H]1CCSC1 ZINC000129441498 532178074 /nfs/dbraw/zinc/17/80/74/532178074.db2.gz CJOPVLZDCKQYQY-AWEZNQCLSA-N 1 0 376.551 2.382 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177684026 532178768 /nfs/dbraw/zinc/17/87/68/532178768.db2.gz ABHSVORHVJUTAU-AWEZNQCLSA-N 1 0 380.286 2.311 20 0 GEADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1nc2ncc(Br)cn2n1 ZINC000177450667 532171310 /nfs/dbraw/zinc/17/13/10/532171310.db2.gz XWNGWDCKDQGDRH-UHFFFAOYSA-N 1 0 393.289 2.024 20 0 GEADRO NC(=O)[C@@H](NCCCNC(=O)C1CCC1)c1ccc(Br)cc1F ZINC000177543421 532175447 /nfs/dbraw/zinc/17/54/47/532175447.db2.gz YLEVAIRJTYAWSQ-AWEZNQCLSA-N 1 0 386.265 2.011 20 0 GEADRO O=C(CN1CC[C@H](C[NH+]2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000129258515 532175736 /nfs/dbraw/zinc/17/57/36/532175736.db2.gz GLSGHIXFFBZXDI-CQSZACIVSA-N 1 0 382.302 2.042 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000177537231 532175752 /nfs/dbraw/zinc/17/57/52/532175752.db2.gz JPYYNXUGIUYRQE-SNVBAGLBSA-N 1 0 390.228 2.218 20 0 GEADRO C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC000177608823 532176256 /nfs/dbraw/zinc/17/62/56/532176256.db2.gz PJZLDSBRLNWJIE-UHFFFAOYSA-N 1 0 387.933 2.195 20 0 GEADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178098079 532192560 /nfs/dbraw/zinc/19/25/60/532192560.db2.gz KRAWKUQNGYWNIF-GFCCVEGCSA-N 1 0 393.285 2.120 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000130442634 532192654 /nfs/dbraw/zinc/19/26/54/532192654.db2.gz SUTBFSGBTKYFET-CJNGLKHVSA-N 1 0 396.329 2.462 20 0 GEADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178098069 532192786 /nfs/dbraw/zinc/19/27/86/532192786.db2.gz KRAWKUQNGYWNIF-LBPRGKRZSA-N 1 0 393.285 2.120 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000131617110 532200970 /nfs/dbraw/zinc/20/09/70/532200970.db2.gz YWFMZPBPEZRERC-CYBMUJFWSA-N 1 0 385.302 2.424 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178109343 532193281 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O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000130049214 532188765 /nfs/dbraw/zinc/18/87/65/532188765.db2.gz XQFDLFNFJDIUEI-CYBMUJFWSA-N 1 0 388.295 2.285 20 0 GEADRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000178615420 532206910 /nfs/dbraw/zinc/20/69/10/532206910.db2.gz YMOXDRVAJKKQGH-UHFFFAOYSA-N 1 0 382.917 2.460 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000131984572 532207769 /nfs/dbraw/zinc/20/77/69/532207769.db2.gz NPCVKBZIKQJMAK-AWEZNQCLSA-N 1 0 382.675 2.014 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)NC[C@@H]3CCC[NH2+]3)[nH]c(=O)c2c1C ZINC000178749486 532211608 /nfs/dbraw/zinc/21/16/08/532211608.db2.gz ADLHUERNNHCBLO-NEPJUHHUSA-N 1 0 380.539 2.091 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCCCC1)N1CCNC(=O)C1 ZINC000132282106 532213205 /nfs/dbraw/zinc/21/32/05/532213205.db2.gz ZAAVAJWHTMWUGC-UHFFFAOYSA-N 1 0 394.313 2.157 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178822368 532214038 /nfs/dbraw/zinc/21/40/38/532214038.db2.gz IYRYPJCPXQBGOM-HUUCEWRRSA-N 1 0 396.329 2.430 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)COc2ccc(I)cc2)CC1 ZINC000178849400 532214435 /nfs/dbraw/zinc/21/44/35/532214435.db2.gz SSEOSGRMUCBCQZ-LLVKDONJSA-N 1 0 388.249 2.256 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000178861041 532214773 /nfs/dbraw/zinc/21/47/73/532214773.db2.gz GBNKWAITNQXTEW-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCC[NH2+]C1 ZINC000178842559 532214970 /nfs/dbraw/zinc/21/49/70/532214970.db2.gz QAJVWGZPTWHDTE-PWSUYJOCSA-N 1 0 376.810 2.448 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000178842433 532215091 /nfs/dbraw/zinc/21/50/91/532215091.db2.gz HNMLYOLOJVEUGT-LRDDRELGSA-N 1 0 381.929 2.441 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000178856350 532215096 /nfs/dbraw/zinc/21/50/96/532215096.db2.gz TWDSWUWALVBFKZ-GFCCVEGCSA-N 1 0 382.302 2.155 20 0 GEADRO CCCN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1CC[NH2+]C1 ZINC000178890614 532215551 /nfs/dbraw/zinc/21/55/51/532215551.db2.gz PMMZGVWDPJIWHM-UONOGXRCSA-N 1 0 394.313 2.403 20 0 GEADRO CCCN(C(=O)c1ccc2ncc(I)n2c1)[C@@H]1CC[NH2+]C1 ZINC000178894408 532216623 /nfs/dbraw/zinc/21/66/23/532216623.db2.gz HUJMBZVEFXRQQC-GFCCVEGCSA-N 1 0 398.248 2.153 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C[NH2+]C)C2)c1 ZINC000178963528 532218719 /nfs/dbraw/zinc/21/87/19/532218719.db2.gz FOZCMVLUMNYFFU-ZDUSSCGKSA-N 1 0 387.933 2.052 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2csc(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000131686137 532202297 /nfs/dbraw/zinc/20/22/97/532202297.db2.gz YUOYWSHESXUONZ-XHDPSFHLSA-N 1 0 399.563 2.270 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000178518738 532204404 /nfs/dbraw/zinc/20/44/04/532204404.db2.gz LINXIACJXZNXIU-SECBINFHSA-N 1 0 385.287 2.300 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000179557586 532235791 /nfs/dbraw/zinc/23/57/91/532235791.db2.gz YTYLLTBIIMRKTC-LBPRGKRZSA-N 1 0 390.347 2.087 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000179395958 532229352 /nfs/dbraw/zinc/22/93/52/532229352.db2.gz PLTGGXYYLPDSPA-AWEZNQCLSA-N 1 0 394.313 2.388 20 0 GEADRO O=C(COc1ccccc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000179418238 532230481 /nfs/dbraw/zinc/23/04/81/532230481.db2.gz ISFAYGRZWSIIDE-UHFFFAOYSA-N 1 0 397.313 2.399 20 0 GEADRO C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[N@H+](C)C1CC1 ZINC000179535915 532235076 /nfs/dbraw/zinc/23/50/76/532235076.db2.gz UQKKMAJVTYQBKL-SNVBAGLBSA-N 1 0 389.315 2.065 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000178983405 532219334 /nfs/dbraw/zinc/21/93/34/532219334.db2.gz MMKQFJKNQNVDCU-HUUCEWRRSA-N 1 0 384.567 2.419 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C1 ZINC000132691608 532220043 /nfs/dbraw/zinc/22/00/43/532220043.db2.gz RYKGAOXCKKBVBV-SWLSCSKDSA-N 1 0 398.276 2.143 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000178998152 532220221 /nfs/dbraw/zinc/22/02/21/532220221.db2.gz QBXTWKUKFQBGDX-GFCCVEGCSA-N 1 0 387.933 2.098 20 0 GEADRO Cc1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c(Br)c1 ZINC000179015143 532220373 /nfs/dbraw/zinc/22/03/73/532220373.db2.gz ATCFLTRYIYKNDF-UHFFFAOYSA-N 1 0 396.329 2.288 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000132802761 532221385 /nfs/dbraw/zinc/22/13/85/532221385.db2.gz JWFPARTZSWKNFM-LBPRGKRZSA-N 1 0 378.897 2.192 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000132915933 532224021 /nfs/dbraw/zinc/22/40/21/532224021.db2.gz OWBGGPOILPKXKD-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000179192852 532224070 /nfs/dbraw/zinc/22/40/70/532224070.db2.gz TXIMGBUKCYRSNG-GFCCVEGCSA-N 1 0 382.302 2.107 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000179678066 532240613 /nfs/dbraw/zinc/24/06/13/532240613.db2.gz DAHCAQNAPOOXAA-CYBMUJFWSA-N 1 0 395.301 2.260 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000179677689 532241099 /nfs/dbraw/zinc/24/10/99/532241099.db2.gz HLIRTZNBFQMGHY-INIZCTEOSA-N 1 0 385.961 2.439 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000179776990 532244241 /nfs/dbraw/zinc/24/42/41/532244241.db2.gz DRRYBEMPTLQVJF-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000133861599 532244647 /nfs/dbraw/zinc/24/46/47/532244647.db2.gz QJZVUMVXCRGNGA-ZDUSSCGKSA-N 1 0 388.917 2.479 20 0 GEADRO O=C(Cc1cc(Br)ccc1F)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000133925507 532246093 /nfs/dbraw/zinc/24/60/93/532246093.db2.gz PCNJORQBIXQQTB-OAHLLOKOSA-N 1 0 387.293 2.484 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Br)n1 ZINC000179891864 532249059 /nfs/dbraw/zinc/24/90/59/532249059.db2.gz MBVKULNRJBFYCX-OCCSQVGLSA-N 1 0 395.301 2.034 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000134157998 532250581 /nfs/dbraw/zinc/25/05/81/532250581.db2.gz JFQXPYJCXLELCK-CQSZACIVSA-N 1 0 387.293 2.484 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(I)cc1 ZINC000133508981 532236960 /nfs/dbraw/zinc/23/69/60/532236960.db2.gz FBFXLBMJCSSLDL-ZDUSSCGKSA-N 1 0 396.294 2.285 20 0 GEADRO C[NH+](C)CCNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000133581349 532238502 /nfs/dbraw/zinc/23/85/02/532238502.db2.gz YJLJPINTKWAOFN-UHFFFAOYSA-N 1 0 384.318 2.358 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180045808 532255285 /nfs/dbraw/zinc/25/52/85/532255285.db2.gz DTFGZZUHCSPPGS-JTQLQIEISA-N 1 0 390.228 2.266 20 0 GEADRO CCOC(=O)C1(NC(=O)c2cc(OC)ccc2Br)CC[NH+](C)CC1 ZINC000134330189 532255306 /nfs/dbraw/zinc/25/53/06/532255306.db2.gz JCFVPZDFRWOKJJ-UHFFFAOYSA-N 1 0 399.285 2.215 20 0 GEADRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180152307 532259173 /nfs/dbraw/zinc/25/91/73/532259173.db2.gz UENZPBRBXYXWJK-JSGCOSHPSA-N 1 0 380.901 2.312 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc(Cl)s2)ccn1 ZINC000135084230 532267288 /nfs/dbraw/zinc/26/72/88/532267288.db2.gz PEBAHOLHLGIEOH-UHFFFAOYSA-N 1 0 375.903 2.215 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)Nc1cccc(Cl)c1 ZINC000135666552 532277854 /nfs/dbraw/zinc/27/78/54/532277854.db2.gz YFLKIDWDQYVSNB-MRXNPFEDSA-N 1 0 385.917 2.169 20 0 GEADRO O=S(=O)(CC[NH2+][C@@H]1CCSc2ccc(F)cc21)NC[C@H]1CCCCO1 ZINC000180749788 532279353 /nfs/dbraw/zinc/27/93/53/532279353.db2.gz MOQKOVFAFHNBRY-GDBMZVCRSA-N 1 0 388.530 2.441 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCSc2c(F)cccc21)NC[C@@H]1CCCCO1 ZINC000180743533 532279922 /nfs/dbraw/zinc/27/99/22/532279922.db2.gz GOTCGIVOGWPKLG-BBRMVZONSA-N 1 0 388.530 2.441 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCn2cncc2C1 ZINC000135998438 532281872 /nfs/dbraw/zinc/28/18/72/532281872.db2.gz LOBUMNXFIMDYBL-AAEUAGOBSA-N 1 0 384.263 2.308 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000180819251 532282354 /nfs/dbraw/zinc/28/23/54/532282354.db2.gz NXSXSJFKOWLGLV-QWRGUYRKSA-N 1 0 377.304 2.189 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)cnc1Cl ZINC000136119309 532283036 /nfs/dbraw/zinc/28/30/36/532283036.db2.gz NOLDIBQVASCAFC-UHFFFAOYSA-N 1 0 376.682 2.074 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)c1ccccc1Cl ZINC000136251919 532283553 /nfs/dbraw/zinc/28/35/53/532283553.db2.gz ZUEBHIZCYQBTLF-INIZCTEOSA-N 1 0 389.949 2.121 20 0 GEADRO Cc1cccc(S(=O)(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1Cl ZINC000180924137 532285841 /nfs/dbraw/zinc/28/58/41/532285841.db2.gz CRHYQESDTQHJST-MRXNPFEDSA-N 1 0 385.961 2.439 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccc(Cl)nc1 ZINC000180984373 532287159 /nfs/dbraw/zinc/28/71/59/532287159.db2.gz ZWCFODYIALZOHB-CYBMUJFWSA-N 1 0 387.933 2.359 20 0 GEADRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1cc2c(cc1Br)OCCO2 ZINC000180466124 532272629 /nfs/dbraw/zinc/27/26/29/532272629.db2.gz QYWCWAHIIKHBDP-JTQLQIEISA-N 1 0 378.288 2.306 20 0 GEADRO O=C1NC[C@H]2CN(Cc3ccc(-c4ccccc4Cl)s3)CCN2C1=O ZINC000180485503 532272784 /nfs/dbraw/zinc/27/27/84/532272784.db2.gz SDLJEMYDUTUKEB-LBPRGKRZSA-N 1 0 375.881 2.211 20 0 GEADRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc2c(cc1Br)OCCO2 ZINC000180466144 532273067 /nfs/dbraw/zinc/27/30/67/532273067.db2.gz QYWCWAHIIKHBDP-SNVBAGLBSA-N 1 0 378.288 2.306 20 0 GEADRO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141683643 532295573 /nfs/dbraw/zinc/29/55/73/532295573.db2.gz PDPLOSOUYOGPOZ-ZDUSSCGKSA-N 1 0 376.400 2.290 20 0 GEADRO C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000181392063 532297141 /nfs/dbraw/zinc/29/71/41/532297141.db2.gz AFPAMRPNVFICQM-OAHLLOKOSA-N 1 0 385.295 2.492 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000181378569 532297255 /nfs/dbraw/zinc/29/72/55/532297255.db2.gz ZEYFHQGHTQOFKM-BXUZGUMPSA-N 1 0 389.315 2.333 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000146229332 532298389 /nfs/dbraw/zinc/29/83/89/532298389.db2.gz PPCFQSGUMPMREG-DZGCQCFKSA-N 1 0 385.555 2.194 20 0 GEADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)s1 ZINC000181472936 532299512 /nfs/dbraw/zinc/29/95/12/532299512.db2.gz ZHFOAILPRUWGST-AWEZNQCLSA-N 1 0 386.926 2.447 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1(CC)CC ZINC000182061730 532308534 /nfs/dbraw/zinc/30/85/34/532308534.db2.gz SHCRKBGYLNOWEO-SOUVJXGZSA-N 1 0 375.556 2.456 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000150717678 532301461 /nfs/dbraw/zinc/30/14/61/532301461.db2.gz MLOCHYFHPUEPSV-OVTCNUJSSA-N 1 0 380.286 2.186 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(Cl)cc2Cl)cn1 ZINC000150906480 532303465 /nfs/dbraw/zinc/30/34/65/532303465.db2.gz AOTSLEGKIZTDFF-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000150906577 532304174 /nfs/dbraw/zinc/30/41/74/532304174.db2.gz JLOQICLITIQQHS-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)C1 ZINC000150999226 532305865 /nfs/dbraw/zinc/30/58/65/532305865.db2.gz BMJJSPODCSYPBX-CZUORRHYSA-N 1 0 383.945 2.402 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000151049536 532306495 /nfs/dbraw/zinc/30/64/95/532306495.db2.gz ITVDKAUVFXDSOH-GFCCVEGCSA-N 1 0 387.933 2.241 20 0 GEADRO CC(C)Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000181810776 532306560 /nfs/dbraw/zinc/30/65/60/532306560.db2.gz DSAZUPGDUOLKFZ-UHFFFAOYSA-N 1 0 376.935 2.322 20 0 GEADRO O=C(CC(=O)NCC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000181943200 532307918 /nfs/dbraw/zinc/30/79/18/532307918.db2.gz MVQJRPTWTPVARG-LBPRGKRZSA-N 1 0 377.432 2.145 20 0 GEADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccccc1Br ZINC000181964863 532308168 /nfs/dbraw/zinc/30/81/68/532308168.db2.gz OOLGTFZZZYZVIK-IAQYHMDHSA-N 1 0 398.301 2.036 20 0 GEADRO CC1(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC[NH2+]CC1 ZINC000183386307 532324767 /nfs/dbraw/zinc/32/47/67/532324767.db2.gz JVKPLMOVCYBZST-ZDUSSCGKSA-N 1 0 394.313 2.308 20 0 GEADRO CC1(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC[NH2+]CC1 ZINC000183386326 532324784 /nfs/dbraw/zinc/32/47/84/532324784.db2.gz JVKPLMOVCYBZST-CYBMUJFWSA-N 1 0 394.313 2.308 20 0 GEADRO COC(=O)CC[N@@H+]1CCN(CCOc2ccccc2Br)[C@H](C)C1 ZINC000182095937 532309048 /nfs/dbraw/zinc/30/90/48/532309048.db2.gz YSCUWCWDKNQIQH-CQSZACIVSA-N 1 0 385.302 2.397 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000182420108 532312993 /nfs/dbraw/zinc/31/29/93/532312993.db2.gz OLGZYLIDNABSFH-COPLHBTASA-N 1 0 378.416 2.048 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000182430439 532313350 /nfs/dbraw/zinc/31/33/50/532313350.db2.gz IJGVWZPUNHAFER-NSHDSACASA-N 1 0 376.404 2.068 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccc(Br)cc1 ZINC000182652273 532315854 /nfs/dbraw/zinc/31/58/54/532315854.db2.gz XRKDLPXJCKWWTI-CYBMUJFWSA-N 1 0 382.302 2.228 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000182889076 532318954 /nfs/dbraw/zinc/31/89/54/532318954.db2.gz XSEVNZNSXVJATI-QGZVFWFLSA-N 1 0 385.961 2.019 20 0 GEADRO CC[C@@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000183007234 532320609 /nfs/dbraw/zinc/32/06/09/532320609.db2.gz MIMCAYSZNJVLKX-WMLDXEAASA-N 1 0 384.523 2.014 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183120069 532321632 /nfs/dbraw/zinc/32/16/32/532321632.db2.gz HUPDCAZZAPFMLJ-NSHDSACASA-N 1 0 396.285 2.242 20 0 GEADRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000183216833 532322208 /nfs/dbraw/zinc/32/22/08/532322208.db2.gz FDIQAHLUTMCROA-JTQLQIEISA-N 1 0 378.441 2.114 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000185569726 532338039 /nfs/dbraw/zinc/33/80/39/532338039.db2.gz MHSDUXWUTVDFOA-INIZCTEOSA-N 1 0 383.290 2.042 20 0 GEADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000185796331 532338757 /nfs/dbraw/zinc/33/87/57/532338757.db2.gz CKIOSXKBTMMNSV-UHFFFAOYSA-N 1 0 383.073 2.372 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000185804367 532338779 /nfs/dbraw/zinc/33/87/79/532338779.db2.gz LFUVTCXHRFVWIY-LBPRGKRZSA-N 1 0 391.331 2.420 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000185934690 532339178 /nfs/dbraw/zinc/33/91/78/532339178.db2.gz DMYMPCKLVLIJAU-JQWIXIFHSA-N 1 0 389.315 2.361 20 0 GEADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000186686404 532341607 /nfs/dbraw/zinc/34/16/07/532341607.db2.gz XRSWXGCCDCVLQC-BBRMVZONSA-N 1 0 378.897 2.306 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000186714182 532341802 /nfs/dbraw/zinc/34/18/02/532341802.db2.gz WPOBWCISDAWZQG-SMDDNHRTSA-N 1 0 387.933 2.145 20 0 GEADRO Cc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(Br)n1 ZINC000186719903 532341834 /nfs/dbraw/zinc/34/18/34/532341834.db2.gz KXEWXSYCICZQPD-LBPRGKRZSA-N 1 0 385.306 2.461 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000186887455 532342528 /nfs/dbraw/zinc/34/25/28/532342528.db2.gz VHBOOLGXCLASBQ-UHFFFAOYSA-N 1 0 387.868 2.433 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCSCC1 ZINC000186939520 532342587 /nfs/dbraw/zinc/34/25/87/532342587.db2.gz KDMCYFIXTRDWLA-HNNXBMFYSA-N 1 0 384.567 2.329 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1cc(F)ccc1Br ZINC000186928525 532342610 /nfs/dbraw/zinc/34/26/10/532342610.db2.gz SWMMUCLVNRDCCU-GFCCVEGCSA-N 1 0 387.293 2.434 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000187098371 532343095 /nfs/dbraw/zinc/34/30/95/532343095.db2.gz KZSZDRIWMOKKBP-LBPRGKRZSA-N 1 0 388.306 2.132 20 0 GEADRO CC(C)[C@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccccc1Cl ZINC000183704079 532328013 /nfs/dbraw/zinc/32/80/13/532328013.db2.gz CYIPFQMUSHZSSP-KRWDZBQOSA-N 1 0 389.949 2.024 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000184302984 532331735 /nfs/dbraw/zinc/33/17/35/532331735.db2.gz MXDMFDIXCJFUQF-ZBINZKHDSA-N 1 0 387.299 2.010 20 0 GEADRO COc1ccc(Br)cc1CC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184312101 532331933 /nfs/dbraw/zinc/33/19/33/532331933.db2.gz MAXTWAGNUKXLOL-AWEZNQCLSA-N 1 0 398.345 2.142 20 0 GEADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)/C=C/c3cc(Br)c4c(c3)OCCO4)C[C@@H]12 ZINC000185013462 532336566 /nfs/dbraw/zinc/33/65/66/532336566.db2.gz PDQACENUJUPPSH-KBXMPQMPSA-N 1 0 393.281 2.429 20 0 GEADRO Cn1cc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)c(=O)n(C)c1=O ZINC000187990417 532346197 /nfs/dbraw/zinc/34/61/97/532346197.db2.gz HNSBRXYZSJRZKJ-UHFFFAOYSA-N 1 0 392.297 2.259 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000188211641 532347396 /nfs/dbraw/zinc/34/73/96/532347396.db2.gz DHPYXJHQHAZNKT-LLVKDONJSA-N 1 0 398.331 2.437 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000188662317 532349041 /nfs/dbraw/zinc/34/90/41/532349041.db2.gz JHVXNAIVOSCHHW-KRWDZBQOSA-N 1 0 394.313 2.323 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000188902345 532350170 /nfs/dbraw/zinc/35/01/70/532350170.db2.gz XBELAIGITBGWHA-CYBMUJFWSA-N 1 0 382.302 2.496 20 0 GEADRO CCn1c2cc(Br)ccc2nc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188994382 532350464 /nfs/dbraw/zinc/35/04/64/532350464.db2.gz JLSCDQFDKLWOLC-UHFFFAOYSA-N 1 0 389.257 2.440 20 0 GEADRO Cc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1I ZINC000189424974 532352141 /nfs/dbraw/zinc/35/21/41/532352141.db2.gz UXHHYZZBJUNWJP-UHFFFAOYSA-N 1 0 388.249 2.052 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NCC[N@@H+]2CCCOCC2)c(Br)c1 ZINC000189422444 532352144 /nfs/dbraw/zinc/35/21/44/532352144.db2.gz GQDHFLLXRROSGC-CQSZACIVSA-N 1 0 385.302 2.363 20 0 GEADRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000189661992 532353153 /nfs/dbraw/zinc/35/31/53/532353153.db2.gz QEOKPGCXVQHQDN-HNNXBMFYSA-N 1 0 388.249 2.467 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000189726303 532353448 /nfs/dbraw/zinc/35/34/48/532353448.db2.gz WVOBJFQAWYTQQK-UHFFFAOYSA-N 1 0 385.306 2.488 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000189831262 532353794 /nfs/dbraw/zinc/35/37/94/532353794.db2.gz VVXBVWWJWNPZNP-UHFFFAOYSA-N 1 0 392.244 2.466 20 0 GEADRO C[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1CC(C)(C)O ZINC000189889150 532353958 /nfs/dbraw/zinc/35/39/58/532353958.db2.gz PJKOTACZJQRNMA-CYBMUJFWSA-N 1 0 399.329 2.497 20 0 GEADRO CCCCN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1SCC)[C@H]1CCS(=O)(=O)C1 ZINC000190035635 532354523 /nfs/dbraw/zinc/35/45/23/532354523.db2.gz KFZKVOAAMYMYCE-BBWFWOEESA-N 1 0 390.615 2.456 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000190057064 532354586 /nfs/dbraw/zinc/35/45/86/532354586.db2.gz RQYCDSGUABJHRD-AWEZNQCLSA-N 1 0 386.539 2.482 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000190062060 532354644 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CC[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)C(=O)NCc1cccs1 ZINC000647242282 532372660 /nfs/dbraw/zinc/37/26/60/532372660.db2.gz NARXEESCVDPUPW-INIZCTEOSA-N 1 0 381.523 2.304 20 0 GEADRO C[N@@H+](CCc1cccc(Br)c1)CCn1nc2ccccn2c1=O ZINC000463420364 532372680 /nfs/dbraw/zinc/37/26/80/532372680.db2.gz RMEQDPOUDQPFJH-UHFFFAOYSA-N 1 0 375.270 2.433 20 0 GEADRO CC[N@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)[C@@H]1CCOC1 ZINC000463436388 532372826 /nfs/dbraw/zinc/37/28/26/532372826.db2.gz NOQXZUAPZTZCDG-OAHLLOKOSA-N 1 0 385.302 2.397 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c(Br)n1 ZINC000278200295 532373140 /nfs/dbraw/zinc/37/31/40/532373140.db2.gz NTRQUXNFTGFULY-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC[C@@H]1[NH3+] ZINC000647268629 532373298 /nfs/dbraw/zinc/37/32/98/532373298.db2.gz FENALOQSOCJJNW-MFKMUULPSA-N 1 0 389.315 2.132 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264119 532373380 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OCCCN1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000647529778 532375251 /nfs/dbraw/zinc/37/52/51/532375251.db2.gz BXSZZTWFUAPGSO-KGLIPLIRSA-N 1 0 377.312 2.170 20 0 GEADRO Cn1ncc(Br)c1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000294685740 532375495 /nfs/dbraw/zinc/37/54/95/532375495.db2.gz AFOLSTSRWAXFIV-UHFFFAOYSA-N 1 0 377.286 2.361 20 0 GEADRO Cc1cnc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c(I)c1 ZINC000425222299 532376990 /nfs/dbraw/zinc/37/69/90/532376990.db2.gz GPMJULIYKXSQPT-CYBMUJFWSA-N 1 0 389.281 2.499 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccc(OCC2CC2)cc1)c1cccs1 ZINC000191468246 532361107 /nfs/dbraw/zinc/36/11/07/532361107.db2.gz DETFXGHDTWCXTN-MRXNPFEDSA-N 1 0 381.519 2.461 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)c1cc2c(cncc2Br)s1 ZINC000647605605 532378361 /nfs/dbraw/zinc/37/83/61/532378361.db2.gz AOSRPICLHVRXFB-UHFFFAOYSA-N 1 0 383.315 2.084 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000277672528 532362212 /nfs/dbraw/zinc/36/22/12/532362212.db2.gz USVZDTCQRWBXAX-WBMJQRKESA-N 1 0 387.933 2.098 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000557381218 532363203 /nfs/dbraw/zinc/36/32/03/532363203.db2.gz SPCMTEPQDMCRPC-ZDUSSCGKSA-N 1 0 396.329 2.180 20 0 GEADRO CC1([NH3+])CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000646992787 532363491 /nfs/dbraw/zinc/36/34/91/532363491.db2.gz YRZGSBNBBZEWNT-CQSZACIVSA-N 1 0 380.286 2.142 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000589892736 532363488 /nfs/dbraw/zinc/36/34/88/532363488.db2.gz DLKPNTVLWWZJIA-OAHLLOKOSA-N 1 0 386.901 2.279 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000621695388 532363867 /nfs/dbraw/zinc/36/38/67/532363867.db2.gz UCRZJZDWRGIAPK-PNPHSEOMSA-N 1 0 392.297 2.142 20 0 GEADRO CC1([NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000646993103 532363956 /nfs/dbraw/zinc/36/39/56/532363956.db2.gz HPXGINLFVIJROF-OAHLLOKOSA-N 1 0 394.313 2.394 20 0 GEADRO COC[C@@]1(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC[NH2+]C1 ZINC000621671457 532364793 /nfs/dbraw/zinc/36/47/93/532364793.db2.gz TTZLBBCQTSCSBQ-CQSZACIVSA-N 1 0 377.229 2.283 20 0 GEADRO COC[C@]1(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC[NH2+]C1 ZINC000621671456 532365155 /nfs/dbraw/zinc/36/51/55/532365155.db2.gz TTZLBBCQTSCSBQ-AWEZNQCLSA-N 1 0 377.229 2.283 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cscc1C(F)(F)F ZINC000621657975 532365173 /nfs/dbraw/zinc/36/51/73/532365173.db2.gz ZGGKZJYNSFEFED-JTQLQIEISA-N 1 0 375.338 2.333 20 0 GEADRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc(Br)c[nH]c2=O)C[C@H](C)O1 ZINC000621723896 532365941 /nfs/dbraw/zinc/36/59/41/532365941.db2.gz ULEPIBFDMXONRY-MBNYWOFBSA-N 1 0 398.301 2.264 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3c(Br)cccc3C2)n1 ZINC000515497474 532365905 /nfs/dbraw/zinc/36/59/05/532365905.db2.gz TWMUWNVMIQOBAI-UHFFFAOYSA-N 1 0 377.286 2.406 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[NH+](C2CC2)CC1 ZINC000294532888 532366322 /nfs/dbraw/zinc/36/63/22/532366322.db2.gz HOFHQSBJXUAZIY-CYBMUJFWSA-N 1 0 396.329 2.242 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1nccnc1N ZINC000425098646 532366658 /nfs/dbraw/zinc/36/66/58/532366658.db2.gz MKEVZUIHEVFGEI-UHFFFAOYSA-N 1 0 393.289 2.071 20 0 GEADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(=O)c3cc(Br)ccc3[nH]1)C2 ZINC000621699190 532366852 /nfs/dbraw/zinc/36/68/52/532366852.db2.gz OGSXBISLFGMGDP-BMLIUANNSA-N 1 0 376.254 2.244 20 0 GEADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccc(Br)c(F)c2)C1=O ZINC000372007299 532367051 /nfs/dbraw/zinc/36/70/51/532367051.db2.gz UBZPBXQPUXIKBK-MEDUHNTESA-N 1 0 384.249 2.398 20 0 GEADRO C[C@H](CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)n1cc(Br)cn1 ZINC000647089655 532367000 /nfs/dbraw/zinc/36/70/00/532367000.db2.gz FDKFISSXQMCMAY-WQVCFCJDSA-N 1 0 399.333 2.342 20 0 GEADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1)[NH+](C)C ZINC000515532747 532368337 /nfs/dbraw/zinc/36/83/37/532368337.db2.gz BAIYNNZCFHHCMO-LLVKDONJSA-N 1 0 380.436 2.279 20 0 GEADRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000191850095 532369734 /nfs/dbraw/zinc/36/97/34/532369734.db2.gz PAEPIZLFKXRTRP-ZBFHGGJFSA-N 1 0 384.567 2.432 20 0 GEADRO CCN(CC)c1ncc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)s1 ZINC000191844533 532370683 /nfs/dbraw/zinc/37/06/83/532370683.db2.gz GBXYKXPBBVEOGC-UHFFFAOYSA-N 1 0 383.539 2.045 20 0 GEADRO CC1(C)CCC[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000191850126 532370758 /nfs/dbraw/zinc/37/07/58/532370758.db2.gz PAEPIZLFKXRTRP-GOEBONIOSA-N 1 0 384.567 2.432 20 0 GEADRO O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000294603004 532370699 /nfs/dbraw/zinc/37/06/99/532370699.db2.gz ZKKIHWOCBCHKDH-KRWDZBQOSA-N 1 0 386.323 2.267 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2c(cc1Br)OCO2 ZINC000621879940 532370804 /nfs/dbraw/zinc/37/08/04/532370804.db2.gz QEXZVTHWLVSLAT-LBPRGKRZSA-N 1 0 399.285 2.361 20 0 GEADRO Cn1cc([C@H](CO)[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)cn1 ZINC000294597116 532370883 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CCN(CCC[NH+](C)C)c1c(F)cc(S(N)(=O)=O)cc1Br ZINC000425253585 532379862 /nfs/dbraw/zinc/37/98/62/532379862.db2.gz JXLZPEWBWGGIIR-UHFFFAOYSA-N 1 0 382.299 2.014 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C1CCC(O)CC1 ZINC000294763253 532380704 /nfs/dbraw/zinc/38/07/04/532380704.db2.gz LYCNRNICGVKITB-QGLTVNCISA-N 1 0 385.302 2.356 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000192053560 532380858 /nfs/dbraw/zinc/38/08/58/532380858.db2.gz PMXWRCMRPWECHH-NSHDSACASA-N 1 0 384.263 2.413 20 0 GEADRO COC(=O)C[C@]1([NH2+]Cc2cnc3c(C)cc(Br)cn23)CCOC1 ZINC000463715130 532381009 /nfs/dbraw/zinc/38/10/09/532381009.db2.gz MZIXBAXQSAEDGS-MRXNPFEDSA-N 1 0 382.258 2.217 20 0 GEADRO Cn1ncc(Br)c1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000278492771 532382278 /nfs/dbraw/zinc/38/22/78/532382278.db2.gz MISSUJHTIOPCCX-WBVHZDCISA-N 1 0 393.329 2.155 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000647888975 532383026 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2.162 20 0 GEADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000558102094 532385868 /nfs/dbraw/zinc/38/58/68/532385868.db2.gz ZINHZTVFULUVHS-MLGOLLRUSA-N 1 0 386.309 2.449 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000648119736 532386026 /nfs/dbraw/zinc/38/60/26/532386026.db2.gz WPDSDBFKCUGIEN-ZDUSSCGKSA-N 1 0 383.290 2.219 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000648132256 532386035 /nfs/dbraw/zinc/38/60/35/532386035.db2.gz WWSGWLLPDDMSPS-QWRGUYRKSA-N 1 0 382.233 2.063 20 0 GEADRO CC[C@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC[C@H]1[NH3+] ZINC000648126346 532386492 /nfs/dbraw/zinc/38/64/92/532386492.db2.gz GREGPXPVTZNVLZ-SMDDNHRTSA-N 1 0 383.286 2.349 20 0 GEADRO O=C(c1cc2c(cncc2Br)s1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000648136308 532386540 /nfs/dbraw/zinc/38/65/40/532386540.db2.gz UAWCGPFTJQEVTR-NSHDSACASA-N 1 0 395.326 2.179 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)N1CCNC(=O)[C@@H]1c1cccs1)c1cccs1 ZINC000463958927 532386638 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O=C(NCc1ccc(Br)s1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590855711 532389630 /nfs/dbraw/zinc/38/96/30/532389630.db2.gz QVHKUXLUNFHXET-CHWSQXEVSA-N 1 0 388.331 2.251 20 0 GEADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C1 ZINC000558426439 532389885 /nfs/dbraw/zinc/38/98/85/532389885.db2.gz DJLZQNIRCWRCLF-DZGCQCFKSA-N 1 0 380.432 2.320 20 0 GEADRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](c2nccs2)C(F)(F)F)CC1 ZINC000425687934 532390202 /nfs/dbraw/zinc/39/02/02/532390202.db2.gz WAKHEGMFQPCBNM-LLVKDONJSA-N 1 0 380.436 2.499 20 0 GEADRO Cc1nc(CN2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)cs1 ZINC000294919330 532390987 /nfs/dbraw/zinc/39/09/87/532390987.db2.gz FMWXOXCEYXOTCL-KGLIPLIRSA-N 1 0 377.432 2.500 20 0 GEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCc2nnc(SC)s2)CC1 ZINC000623918550 532391021 /nfs/dbraw/zinc/39/10/21/532391021.db2.gz UQWPXXSJSBHZKI-UHFFFAOYSA-N 1 0 385.559 2.046 20 0 GEADRO COc1cc(Br)c(CN2CC[NH+](C(C)(C)CO)CC2)c(OC)c1 ZINC000678269338 532391975 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GEADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516867047 532394665 /nfs/dbraw/zinc/39/46/65/532394665.db2.gz GFALBNPTWKKNKH-NEPJUHHUSA-N 1 0 378.416 2.437 20 0 GEADRO CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000516857159 532394960 /nfs/dbraw/zinc/39/49/60/532394960.db2.gz OGBJLHMMHKPJEE-SWLSCSKDSA-N 1 0 385.917 2.200 20 0 GEADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cccc(F)c2Br)C1=O ZINC000648466317 532398121 /nfs/dbraw/zinc/39/81/21/532398121.db2.gz LWCXQRZTZZRZSY-MEDUHNTESA-N 1 0 384.249 2.398 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000624566279 532398182 /nfs/dbraw/zinc/39/81/82/532398182.db2.gz JVHLUKJPCHOARD-HNNXBMFYSA-N 1 0 382.302 2.168 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000624566280 532398447 /nfs/dbraw/zinc/39/84/47/532398447.db2.gz JVHLUKJPCHOARD-OAHLLOKOSA-N 1 0 382.302 2.168 20 0 GEADRO CCS(=O)(=O)NCCC[NH+]1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000372619227 532398647 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COC(=O)C[C@@]1([NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)CCOC1 ZINC000464596452 532400678 /nfs/dbraw/zinc/40/06/78/532400678.db2.gz DOVXFFIPRDJMKG-WNSKOXEYSA-N 1 0 380.293 2.413 20 0 GEADRO O=C(CC[NH2+][C@@H](CO)Cc1cccnc1)Nc1ccc(Br)cc1 ZINC000516970687 532400823 /nfs/dbraw/zinc/40/08/23/532400823.db2.gz ZCGLMQKNFXXULW-MRXNPFEDSA-N 1 0 378.270 2.366 20 0 GEADRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000678755412 532401154 /nfs/dbraw/zinc/40/11/54/532401154.db2.gz DCVDXMFUAKXFOH-OLZOCXBDSA-N 1 0 385.302 2.328 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000624615730 532399089 /nfs/dbraw/zinc/39/90/89/532399089.db2.gz GTJNOVJHXGOYGY-CQSZACIVSA-N 1 0 387.933 2.145 20 0 GEADRO O=C(NCC[NH+]1CCC1)NCc1cc(Cl)cc(I)c1 ZINC000425829300 532399458 /nfs/dbraw/zinc/39/94/58/532399458.db2.gz GTIWZOVKZIEKBN-UHFFFAOYSA-N 1 0 393.656 2.450 20 0 GEADRO C[C@@H](CC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)n1cc(Br)cn1 ZINC000648827351 532402890 /nfs/dbraw/zinc/40/28/90/532402890.db2.gz AJRNKNPGUIONIS-GOEBONIOSA-N 1 0 399.333 2.310 20 0 GEADRO C[C@@H]1CCSCCN1C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000559405548 532401590 /nfs/dbraw/zinc/40/15/90/532401590.db2.gz LLOXGDTVYCWSHR-CABCVRRESA-N 1 0 381.567 2.355 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624633312 532402158 /nfs/dbraw/zinc/40/21/58/532402158.db2.gz NZNUGYPIZKKZBC-ZIAGYGMSSA-N 1 0 383.290 2.279 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(I)ccc1O ZINC000192515955 532403866 /nfs/dbraw/zinc/40/38/66/532403866.db2.gz ABSIUEBIZXNEKC-UHFFFAOYSA-N 1 0 386.233 2.353 20 0 GEADRO C[C@H]1COCC[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000192535214 532404021 /nfs/dbraw/zinc/40/40/21/532404021.db2.gz WMPLSZCXCOYKBC-CORIIIEPSA-N 1 0 391.249 2.046 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H](CC[NH3+])C(F)F)c(Br)cc1F ZINC000591287213 532404049 /nfs/dbraw/zinc/40/40/49/532404049.db2.gz DCSQZQZAEIFTEN-SECBINFHSA-N 1 0 398.179 2.479 20 0 GEADRO C[C@H](CNc1ncc(Br)cc1S(N)(=O)=O)[N@@H+]1CCC[C@H](C)C1 ZINC000679467252 532405150 /nfs/dbraw/zinc/40/51/50/532405150.db2.gz WKMCXXYNLUMZHT-WDEREUQCSA-N 1 0 391.335 2.024 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)[C@]34CCC(=O)N3c3cc(Cl)ccc3S4)C[C@H]2C1 ZINC000192518403 532405165 /nfs/dbraw/zinc/40/51/65/532405165.db2.gz LQKWDVCNHMTXAV-FTLABTOESA-N 1 0 377.897 2.289 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000591295362 532405494 /nfs/dbraw/zinc/40/54/94/532405494.db2.gz KMMRVJIGRLJWSF-ONGXEEELSA-N 1 0 388.237 2.399 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)N2CCC[N@@H+]([C@H](C)CO)CC2)c(Br)c1 ZINC000372749725 532405896 /nfs/dbraw/zinc/40/58/96/532405896.db2.gz MNBCBBCXZUHODX-HUUCEWRRSA-N 1 0 398.345 2.473 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccnc2OCC(F)F)C1 ZINC000625028473 532405899 /nfs/dbraw/zinc/40/58/99/532405899.db2.gz WOFPZMKCTZKAKH-CYBMUJFWSA-N 1 0 377.457 2.078 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000679679583 532406725 /nfs/dbraw/zinc/40/67/25/532406725.db2.gz 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C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448487 532412678 /nfs/dbraw/zinc/41/26/78/532412678.db2.gz IXJUHHARJUHEDU-JMSVASOKSA-N 1 0 399.276 2.302 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280571975 532414490 /nfs/dbraw/zinc/41/44/90/532414490.db2.gz KMCATUHVVMOEJG-LLVKDONJSA-N 1 0 399.310 2.440 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000192823116 532413271 /nfs/dbraw/zinc/41/32/71/532413271.db2.gz PJQDDHKBRSQJHQ-OCCSQVGLSA-N 1 0 388.917 2.462 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000192824949 532413540 /nfs/dbraw/zinc/41/35/40/532413540.db2.gz HFWFBGRQPOROAL-NFAWXSAZSA-N 1 0 377.312 2.120 20 0 GEADRO C[N@@H+]1C[C@@H](CNC(=O)Cn2cc(Br)cn2)[C@H](c2ccccc2)C1 ZINC000649101039 532413565 /nfs/dbraw/zinc/41/35/65/532413565.db2.gz JLQNHVGBPZCIBS-ZBFHGGJFSA-N 1 0 377.286 2.107 20 0 GEADRO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)NCC(=O)Nc1ccccc1Br ZINC000372854623 532414928 /nfs/dbraw/zinc/41/49/28/532414928.db2.gz CWDGSQXPFDRAGI-CYBMUJFWSA-N 1 0 380.286 2.236 20 0 GEADRO CC[N@H+](CCNC(=O)[C@@H]1CSCN1C(=O)C1CCC1)CCC(F)(F)F ZINC000427215034 532415544 /nfs/dbraw/zinc/41/55/44/532415544.db2.gz HHJZNTHAEIURQH-ZDUSSCGKSA-N 1 0 381.464 2.079 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1F ZINC000192973178 532415812 /nfs/dbraw/zinc/41/58/12/532415812.db2.gz PCXJHMKYBMSGAF-VIFPVBQESA-N 1 0 386.265 2.434 20 0 GEADRO CC[N@H+](CCNC(=O)c1cnc2scc(C)n2c1=O)CCC(F)(F)F ZINC000427218650 532416425 /nfs/dbraw/zinc/41/64/25/532416425.db2.gz VVURQJZWXYRJIY-UHFFFAOYSA-N 1 0 376.404 2.069 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCCCCn2cc(Br)cn2)C[N@@H+]1C1CC1 ZINC000280926694 532416398 /nfs/dbraw/zinc/41/63/98/532416398.db2.gz OQABUMPTRKHHLZ-JSGCOSHPSA-N 1 0 384.322 2.350 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1Cl ZINC000517435002 532416455 /nfs/dbraw/zinc/41/64/55/532416455.db2.gz GMJXFLDIEGRESH-UHFFFAOYSA-N 1 0 380.901 2.141 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3csc(C(F)(F)F)n3)CC2)CC1 ZINC000193016535 532417139 /nfs/dbraw/zinc/41/71/39/532417139.db2.gz DDLJLLJIVFUSEI-UHFFFAOYSA-N 1 0 376.448 2.450 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1Br ZINC000193017437 532417263 /nfs/dbraw/zinc/41/72/63/532417263.db2.gz FCOXXIJBAORCIX-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)c(F)cc1F ZINC000372889882 532417646 /nfs/dbraw/zinc/41/76/46/532417646.db2.gz GVNGBWNDRRTKFG-ZJUUUORDSA-N 1 0 375.213 2.320 20 0 GEADRO COc1ccc(I)c(NC(=O)[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000591672861 532418153 /nfs/dbraw/zinc/41/81/53/532418153.db2.gz ONKMAVPBVCGROY-SECBINFHSA-N 1 0 396.175 2.483 20 0 GEADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc(Cl)cc(Br)c1F ZINC000560504966 532418351 /nfs/dbraw/zinc/41/83/51/532418351.db2.gz CDYZONNRFFFVHZ-OAHLLOKOSA-N 1 0 391.668 2.428 20 0 GEADRO CCn1nc(C)c(C[NH2+]CCCNC(=O)c2cccc(Br)c2)n1 ZINC000295213929 532419461 /nfs/dbraw/zinc/41/94/61/532419461.db2.gz QFUJRKYOVPGIEL-UHFFFAOYSA-N 1 0 380.290 2.279 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000465786155 532420019 /nfs/dbraw/zinc/42/00/19/532420019.db2.gz NRVPQCYCRFKKFJ-GXTWGEPZSA-N 1 0 397.317 2.478 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000625368215 532420186 /nfs/dbraw/zinc/42/01/86/532420186.db2.gz GZFRCXUOGXGHLS-GFCCVEGCSA-N 1 0 380.436 2.124 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687532 532422631 /nfs/dbraw/zinc/42/26/31/532422631.db2.gz VKFTUMYXZULLBS-LBPRGKRZSA-N 1 0 387.311 2.026 20 0 GEADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1c(Cl)cc(F)cc1Br ZINC000193387327 532423445 /nfs/dbraw/zinc/42/34/45/532423445.db2.gz UXOKJANZZPWPNJ-UHFFFAOYSA-N 1 0 383.670 2.440 20 0 GEADRO Cc1cc(N2CCC[C@@H](N3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)ccc1Br ZINC000680961464 532421184 /nfs/dbraw/zinc/42/11/84/532421184.db2.gz IHKSOAWAITZISU-JKIFEVAISA-N 1 0 378.314 2.404 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(O)CCCC1 ZINC000295217442 532421387 /nfs/dbraw/zinc/42/13/87/532421387.db2.gz QOYLNVFWMCHKIV-GFCCVEGCSA-N 1 0 385.302 2.357 20 0 GEADRO CC(C)COC[C@@H](O)C[NH2+]CCOc1ccc(I)cc1 ZINC000591766132 532421961 /nfs/dbraw/zinc/42/19/61/532421961.db2.gz FAYNWZMCYZDROQ-AWEZNQCLSA-N 1 0 393.265 2.293 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687531 532422062 /nfs/dbraw/zinc/42/20/62/532422062.db2.gz VKFTUMYXZULLBS-GFCCVEGCSA-N 1 0 387.311 2.026 20 0 GEADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000517707805 532424027 /nfs/dbraw/zinc/42/40/27/532424027.db2.gz UZMTUIPDXKTMAV-CYBMUJFWSA-N 1 0 378.416 2.485 20 0 GEADRO C[C@H](CNC(=O)NCC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000193385857 532424043 /nfs/dbraw/zinc/42/40/43/532424043.db2.gz PGEIOPHLUKOCMH-CYBMUJFWSA-N 1 0 397.317 2.419 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C1 ZINC000427471457 532424624 /nfs/dbraw/zinc/42/46/24/532424624.db2.gz AMOFBWDEANWTFD-SFHVURJKSA-N 1 0 379.913 2.113 20 0 GEADRO CN(C)c1ncc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)s1 ZINC000466384553 532425849 /nfs/dbraw/zinc/42/58/49/532425849.db2.gz TZVCGMIBJYVXBF-UHFFFAOYSA-N 1 0 388.946 2.321 20 0 GEADRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cncc(Br)c1 ZINC000466366928 532426028 /nfs/dbraw/zinc/42/60/28/532426028.db2.gz NJSUGMXFUUEMSK-UHFFFAOYSA-N 1 0 381.274 2.188 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000281610911 532426348 /nfs/dbraw/zinc/42/63/48/532426348.db2.gz BEKJAIVBVFVCCA-UHFFFAOYSA-N 1 0 384.311 2.397 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC1=CC[NH2+]CC1 ZINC000427565567 532426622 /nfs/dbraw/zinc/42/66/22/532426622.db2.gz UELATRJBXPCRAX-MRXNPFEDSA-N 1 0 394.313 2.239 20 0 GEADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373053921 532427936 /nfs/dbraw/zinc/42/79/36/532427936.db2.gz GNIZUDZQCCOMKT-BLLLJJGKSA-N 1 0 375.270 2.459 20 0 GEADRO Cc1ncsc1CCS(=O)(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000649849195 532428984 /nfs/dbraw/zinc/42/89/84/532428984.db2.gz ODDGSUKTZPSLGP-CQSZACIVSA-N 1 0 381.523 2.153 20 0 GEADRO [NH3+]C[C@@H](NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1)C1CC1 ZINC000561019642 532427124 /nfs/dbraw/zinc/42/71/24/532427124.db2.gz CHLJMMWQBMCNRQ-SNVBAGLBSA-N 1 0 382.287 2.826 20 0 GEADRO CN(C)C(=O)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000193660085 532429367 /nfs/dbraw/zinc/42/93/67/532429367.db2.gz VNIQSDXBTIKWCJ-UHFFFAOYSA-N 1 0 399.333 2.001 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(F)cc(Br)c1 ZINC000193673745 532429392 /nfs/dbraw/zinc/42/93/92/532429392.db2.gz LZSONQMDGHLDOE-AWEZNQCLSA-N 1 0 386.265 2.048 20 0 GEADRO NC(=O)[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1cccc(Br)c1 ZINC000373074009 532430447 /nfs/dbraw/zinc/43/04/47/532430447.db2.gz ISRGYPOYQRZBQJ-IXDOHACOSA-N 1 0 396.329 2.209 20 0 GEADRO COCC[C@H](CO)[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000281666570 532431490 /nfs/dbraw/zinc/43/14/90/532431490.db2.gz QOSHWXHBPABBBB-BXUZGUMPSA-N 1 0 383.290 2.386 20 0 GEADRO O=S1(=O)CCC(C[NH2+]Cc2cccc(I)c2)CC1 ZINC000517974513 532431686 /nfs/dbraw/zinc/43/16/86/532431686.db2.gz YLXKPNAJROLCSV-UHFFFAOYSA-N 1 0 379.263 2.206 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)CN1CC[NH+](C)CC1 ZINC000193900045 532435752 /nfs/dbraw/zinc/43/57/52/532435752.db2.gz ZMKAHJAVWRGJCA-GFCCVEGCSA-N 1 0 380.341 2.155 20 0 GEADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)ccc1Cl ZINC000681712200 532436330 /nfs/dbraw/zinc/43/63/30/532436330.db2.gz QNILYAMQHYZBOR-SWLSCSKDSA-N 1 0 385.917 2.403 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)s1 ZINC000466677859 532432832 /nfs/dbraw/zinc/43/28/32/532432832.db2.gz QWXZRULMPNTGHF-KBPBESRZSA-N 1 0 387.571 2.268 20 0 GEADRO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000281784699 532432888 /nfs/dbraw/zinc/43/28/88/532432888.db2.gz HNFJWMNWUKVXAO-IJEWVQPXSA-N 1 0 384.567 2.483 20 0 GEADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N(CCO)Cc1cccc(Br)c1 ZINC000561223798 532433246 /nfs/dbraw/zinc/43/32/46/532433246.db2.gz FWIHYVJQYBAERN-ZMSDIMECSA-N 1 0 396.329 2.341 20 0 GEADRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)C[C@H](O)c1ccccc1Br ZINC000295320229 532433527 /nfs/dbraw/zinc/43/35/27/532433527.db2.gz LZURAPUVMRUWHI-AWEZNQCLSA-N 1 0 398.301 2.135 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000193876053 532434622 /nfs/dbraw/zinc/43/46/22/532434622.db2.gz MNTZVSMELAZLFO-JTQLQIEISA-N 1 0 388.331 2.182 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c(F)cc(Br)cc1F ZINC000295328048 532434657 /nfs/dbraw/zinc/43/46/57/532434657.db2.gz CXDXJHPHWHKPSE-LLVKDONJSA-N 1 0 377.229 2.304 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650085491 532434819 /nfs/dbraw/zinc/43/48/19/532434819.db2.gz LZXZRVSTJMVVTM-UHFFFAOYSA-N 1 0 397.317 2.249 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000650175594 532440824 /nfs/dbraw/zinc/44/08/24/532440824.db2.gz QQLRPYAKZGGBBD-UHFFFAOYSA-N 1 0 389.949 2.055 20 0 GEADRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000592209550 532441164 /nfs/dbraw/zinc/44/11/64/532441164.db2.gz WYXQJRFPJRISMN-DZGCQCFKSA-N 1 0 384.270 2.268 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428039638 532441284 /nfs/dbraw/zinc/44/12/84/532441284.db2.gz SNDWKPBOHKJWOG-FRFSOERESA-N 1 0 380.330 2.480 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)COc1cccc(I)c1 ZINC000193929872 532437459 /nfs/dbraw/zinc/43/74/59/532437459.db2.gz FFBRTTIYZHKNRT-UHFFFAOYSA-N 1 0 390.265 2.374 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c(OC)cc1Br ZINC000427926886 532437885 /nfs/dbraw/zinc/43/78/85/532437885.db2.gz UHCDEEMNHYTTAL-JTQLQIEISA-N 1 0 395.319 2.262 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000427943895 532438057 /nfs/dbraw/zinc/43/80/57/532438057.db2.gz CCKKYYQVEYKAQG-SNVBAGLBSA-N 1 0 382.404 2.288 20 0 GEADRO C[NH+](C)CCOc1cccc(NC(=O)NCc2n[nH]cc2Br)c1 ZINC000518335313 532438477 /nfs/dbraw/zinc/43/84/77/532438477.db2.gz YTQLSUGNIVVMJD-UHFFFAOYSA-N 1 0 382.262 2.434 20 0 GEADRO C[N@H+](Cc1ccccc1)C1CN(c2ncc(I)cn2)C1 ZINC000561417869 532438502 /nfs/dbraw/zinc/43/85/02/532438502.db2.gz NGEUDASDPRMQPV-UHFFFAOYSA-N 1 0 380.233 2.402 20 0 GEADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000650149556 532438690 /nfs/dbraw/zinc/43/86/90/532438690.db2.gz FORKFFGWSOTHGH-QJPTWQEYSA-N 1 0 386.290 2.054 20 0 GEADRO CN(CC(=O)N1CCC[C@@H](CC[NH3+])C1)C(=O)c1ccc(Br)s1 ZINC000282049570 532441421 /nfs/dbraw/zinc/44/14/21/532441421.db2.gz VGYKJTBYKVDHTA-NSHDSACASA-N 1 0 388.331 2.170 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc(I)cc3)C[C@@H]21 ZINC000518361182 532439719 /nfs/dbraw/zinc/43/97/19/532439719.db2.gz MKDVIAJVFZWEHM-AEGPPILISA-N 1 0 384.261 2.420 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000193989265 532440013 /nfs/dbraw/zinc/44/00/13/532440013.db2.gz IYNNWKBHRLRIRD-UHFFFAOYSA-N 1 0 380.341 2.050 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000682256475 532443255 /nfs/dbraw/zinc/44/32/55/532443255.db2.gz FFGBQQNCKXCLSR-VXGBXAGGSA-N 1 0 395.294 2.358 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626850067 532443264 /nfs/dbraw/zinc/44/32/64/532443264.db2.gz NGOPUCAPKIFASZ-CQSZACIVSA-N 1 0 396.285 2.187 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000626847779 532443466 /nfs/dbraw/zinc/44/34/66/532443466.db2.gz ZRSZARHGVHNYFP-AWEZNQCLSA-N 1 0 386.265 2.292 20 0 GEADRO CCNC(=O)NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467300935 532443909 /nfs/dbraw/zinc/44/39/09/532443909.db2.gz JQGBBVHCDBXXHX-UHFFFAOYSA-N 1 0 398.301 2.276 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000626847212 532443962 /nfs/dbraw/zinc/44/39/62/532443962.db2.gz NDVGFZILLAAGJT-AWEZNQCLSA-N 1 0 386.265 2.292 20 0 GEADRO O=C(c1cc(I)c[nH]1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254457 532444027 /nfs/dbraw/zinc/44/40/27/532444027.db2.gz CVLRZFSMZAIGKI-NWDGAFQWSA-N 1 0 387.265 2.471 20 0 GEADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCS(=O)(=O)CC1 ZINC000650417693 532444127 /nfs/dbraw/zinc/44/41/27/532444127.db2.gz WRUHMZNIJLOFCP-UHFFFAOYSA-N 1 0 383.539 2.137 20 0 GEADRO NC(=O)NC(=O)CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467298407 532444182 /nfs/dbraw/zinc/44/41/82/532444182.db2.gz CYLPEOYEQJNTQB-UHFFFAOYSA-N 1 0 384.274 2.015 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000518606945 532444280 /nfs/dbraw/zinc/44/42/80/532444280.db2.gz NODYPWGQAQWZFH-OAGGEKHMSA-N 1 0 394.313 2.009 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626921058 532444863 /nfs/dbraw/zinc/44/48/63/532444863.db2.gz HLVAHYXKENFUOP-DGCLKSJQSA-N 1 0 383.290 2.136 20 0 GEADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000373296462 532441957 /nfs/dbraw/zinc/44/19/57/532441957.db2.gz MFGXWDIPZDAMFO-UBHSHLNASA-N 1 0 375.416 2.205 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000682193511 532441970 /nfs/dbraw/zinc/44/19/70/532441970.db2.gz YLDVIIMFZSMGCK-NSHDSACASA-N 1 0 398.301 2.243 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[N@@H+]1C ZINC000467222107 532442053 /nfs/dbraw/zinc/44/20/53/532442053.db2.gz HBKADDNCCRPDCR-DTWKUNHWSA-N 1 0 390.228 2.265 20 0 GEADRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000626944726 532446643 /nfs/dbraw/zinc/44/66/43/532446643.db2.gz VWFKLIFBSLMFEM-GBIKHYSHSA-N 1 0 384.274 2.331 20 0 GEADRO C[C@H]1CN(C(=O)Cc2sccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000295438899 532446911 /nfs/dbraw/zinc/44/69/11/532446911.db2.gz DLVFNEPRYFMURF-NSHDSACASA-N 1 0 375.332 2.357 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)C[NH2+]1 ZINC000626951852 532447295 /nfs/dbraw/zinc/44/72/95/532447295.db2.gz JGPNKDUWTZOJTA-CMPLNLGQSA-N 1 0 384.274 2.160 20 0 GEADRO Cc1cc(Br)c2c(c1)CN(C(=O)[C@@H]1C[N@@H+]3CCN1CCC3)CC2 ZINC000428256682 532449194 /nfs/dbraw/zinc/44/91/94/532449194.db2.gz PZLFHGBYJQRFLT-KRWDZBQOSA-N 1 0 378.314 2.032 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000373433648 532448489 /nfs/dbraw/zinc/44/84/89/532448489.db2.gz WDLNBRNZJCVVNO-ZDUSSCGKSA-N 1 0 385.555 2.358 20 0 GEADRO O=C(N[C@H]1CSc2ccc(Br)cc21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000428188504 532446075 /nfs/dbraw/zinc/44/60/75/532446075.db2.gz XKLCDFKURKTLEQ-KBPBESRZSA-N 1 0 382.327 2.102 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000592378410 532452018 /nfs/dbraw/zinc/45/20/18/532452018.db2.gz YACYEGCEKFZXBX-UHFFFAOYSA-N 1 0 386.901 2.281 20 0 GEADRO C[NH+](C)CCCN(C(=O)CCc1cc(Cl)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000467638827 532452304 /nfs/dbraw/zinc/45/23/04/532452304.db2.gz GGKPSOIXOUVQTI-CQSZACIVSA-N 1 0 392.974 2.302 20 0 GEADRO O=C(c1c(F)ccc(Br)c1F)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627265057 532449627 /nfs/dbraw/zinc/44/96/27/532449627.db2.gz CZKIPBONCCHEQE-NXEZZACHSA-N 1 0 375.213 2.008 20 0 GEADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000627268047 532449716 /nfs/dbraw/zinc/44/97/16/532449716.db2.gz WQMSFHDDBTVKRL-HZPDHXFCSA-N 1 0 397.288 2.287 20 0 GEADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269931 532449874 /nfs/dbraw/zinc/44/98/74/532449874.db2.gz ZXFBFXSWCPHNHO-VVLHAWIVSA-N 1 0 379.298 2.220 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000650599745 532450040 /nfs/dbraw/zinc/45/00/40/532450040.db2.gz SMRFESTZSLTGMU-OAHLLOKOSA-N 1 0 387.293 2.484 20 0 GEADRO C[C@H](CCCC[NH3+])NC(=O)COc1cccc(I)c1 ZINC000592336482 532449998 /nfs/dbraw/zinc/44/99/98/532449998.db2.gz FQHJXVVRRXWCGS-LLVKDONJSA-N 1 0 376.238 2.304 20 0 GEADRO O=C(NC1(Cc2ccccc2Br)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000561761517 532450234 /nfs/dbraw/zinc/45/02/34/532450234.db2.gz LVSGFGBVGQUHOF-MRXNPFEDSA-N 1 0 378.314 2.030 20 0 GEADRO COc1c(Br)cccc1C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000373459772 532450241 /nfs/dbraw/zinc/45/02/41/532450241.db2.gz GXXSHQOBZHUSEB-PXAZEXFGSA-N 1 0 396.285 2.268 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000627281444 532450368 /nfs/dbraw/zinc/45/03/68/532450368.db2.gz CZZRSFAVTRJUOK-LBPRGKRZSA-N 1 0 394.313 2.284 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000282254845 532450800 /nfs/dbraw/zinc/45/08/00/532450800.db2.gz CJNJJEXBLLRJFE-UHFFFAOYSA-N 1 0 395.301 2.244 20 0 GEADRO Cc1nn(-c2ccc(C(=O)N3CCO[C@H](C[NH3+])C3)cc2)c(C)c1Br ZINC000373461194 532451177 /nfs/dbraw/zinc/45/11/77/532451177.db2.gz MJWXBYQLGZYHCP-OAHLLOKOSA-N 1 0 393.285 2.051 20 0 GEADRO O=S1(=O)CCCN1C1CCC([NH2+][C@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000373545226 532456821 /nfs/dbraw/zinc/45/68/21/532456821.db2.gz FEHBVOSHCPUNKE-ZBCRRDGASA-N 1 0 380.539 2.497 20 0 GEADRO CC[C@@]1([NH2+]CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCOC1 ZINC000683044698 532454403 /nfs/dbraw/zinc/45/44/03/532454403.db2.gz HTMPDKNMULKFCL-QGZVFWFLSA-N 1 0 387.311 2.196 20 0 GEADRO CSCCCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000562125305 532457817 /nfs/dbraw/zinc/45/78/17/532457817.db2.gz QPFRLBSTBPWTBL-UHFFFAOYSA-N 1 0 387.615 2.114 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[C@@H](C)CO ZINC000295532638 532455966 /nfs/dbraw/zinc/45/59/66/532455966.db2.gz WUNGQZITIQFIKA-CHWSQXEVSA-N 1 0 387.318 2.461 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000562011179 532456210 /nfs/dbraw/zinc/45/62/10/532456210.db2.gz SXCWPTOOMPWFAG-WFASDCNBSA-N 1 0 382.302 2.006 20 0 GEADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428626012 532456427 /nfs/dbraw/zinc/45/64/27/532456427.db2.gz HYWSFTHLTHATPD-CQSZACIVSA-N 1 0 394.313 2.042 20 0 GEADRO O=C(Cc1cc(Cl)ccc1Cl)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428623523 532456546 /nfs/dbraw/zinc/45/65/46/532456546.db2.gz FMZUQOFKJVZFCU-ZDUSSCGKSA-N 1 0 384.307 2.206 20 0 GEADRO C[NH+]1CCC(NC(=O)N(CCO)Cc2cc(Br)ccc2F)CC1 ZINC000194777312 532456581 /nfs/dbraw/zinc/45/65/81/532456581.db2.gz IERRIUJENMMTHC-UHFFFAOYSA-N 1 0 388.281 2.186 20 0 GEADRO CC(C)[NH+](CCNC(=O)CNC(=O)c1ccc(Br)cc1)C(C)C ZINC000194797909 532457877 /nfs/dbraw/zinc/45/78/77/532457877.db2.gz ZXPHFAVYLWWYTJ-UHFFFAOYSA-N 1 0 384.318 2.414 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000468327965 532462623 /nfs/dbraw/zinc/46/26/23/532462623.db2.gz HVEOLPUCXUHZGT-GXTWGEPZSA-N 1 0 399.333 2.064 20 0 GEADRO CN(C(=O)c1ncc(Br)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683408160 532458823 /nfs/dbraw/zinc/45/88/23/532458823.db2.gz LGFGULWILWHYTM-GFCCVEGCSA-N 1 0 387.347 2.146 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000428729738 532459605 /nfs/dbraw/zinc/45/96/05/532459605.db2.gz IJWCNJUONFXVPR-CHWSQXEVSA-N 1 0 382.302 2.025 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000519400437 532462777 /nfs/dbraw/zinc/46/27/77/532462777.db2.gz CIOIGDLOLIZCSW-RKDXNWHRSA-N 1 0 381.782 2.462 20 0 GEADRO O=C(CCC(=O)c1ccc(I)cc1)NC1CC[NH2+]CC1 ZINC000428738499 532459985 /nfs/dbraw/zinc/45/99/85/532459985.db2.gz OLWYJEGCWMSJEQ-UHFFFAOYSA-N 1 0 386.233 2.122 20 0 GEADRO CN(C)C(=O)CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000519327182 532461290 /nfs/dbraw/zinc/46/12/90/532461290.db2.gz NTWMHFQDAFWYOP-CYBMUJFWSA-N 1 0 397.317 2.363 20 0 GEADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000562326579 532461871 /nfs/dbraw/zinc/46/18/71/532461871.db2.gz QDRDEANXCYATPA-LLVKDONJSA-N 1 0 377.436 2.080 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000468425713 532463915 /nfs/dbraw/zinc/46/39/15/532463915.db2.gz HSXARJKXAPPEHH-OKILXGFUSA-N 1 0 387.571 2.319 20 0 GEADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000651306095 532463974 /nfs/dbraw/zinc/46/39/74/532463974.db2.gz QMEYXDPJMRGUMU-RYUDHWBXSA-N 1 0 383.315 2.489 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000373706862 532464056 /nfs/dbraw/zinc/46/40/56/532464056.db2.gz HJIMEPHGQXACEX-HRCADAONSA-N 1 0 380.501 2.436 20 0 GEADRO C[C@H]1C[C@H](CNS(=O)(=O)c2c(Cl)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000373723328 532465771 /nfs/dbraw/zinc/46/57/71/532465771.db2.gz DLINSGCXFCZQAH-DZGCQCFKSA-N 1 0 382.917 2.262 20 0 GEADRO CN(C(=O)c1nscc1Br)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651315255 532465974 /nfs/dbraw/zinc/46/59/74/532465974.db2.gz SFXNADVVXFAGOJ-LBPRGKRZSA-N 1 0 387.347 2.146 20 0 GEADRO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000428966861 532466794 /nfs/dbraw/zinc/46/67/94/532466794.db2.gz LKZYJGORWBQPOQ-ZIAGYGMSSA-N 1 0 385.555 2.041 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1ccc(I)cc1)[NH+]1CCCC1 ZINC000562468049 532466927 /nfs/dbraw/zinc/46/69/27/532466927.db2.gz LZXWJAZUERSOKK-NSHDSACASA-N 1 0 394.278 2.054 20 0 GEADRO COC(=O)CN1CCC([NH2+][C@H](CCO)c2ccccc2Br)CC1 ZINC000468513836 532467147 /nfs/dbraw/zinc/46/71/47/532467147.db2.gz GKHTVQQANMCNKW-MRXNPFEDSA-N 1 0 385.302 2.100 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCc2cc(F)ccc2Br)C1 ZINC000683911039 532467936 /nfs/dbraw/zinc/46/79/36/532467936.db2.gz CAGUUKRKZAWUGM-QGZVFWFLSA-N 1 0 387.293 2.436 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC1(C)COC1 ZINC000628424142 532468158 /nfs/dbraw/zinc/46/81/58/532468158.db2.gz ZLNAXCNTVPSIQR-LBPRGKRZSA-N 1 0 385.302 2.431 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c1 ZINC000429325112 532473606 /nfs/dbraw/zinc/47/36/06/532473606.db2.gz FRHMDWLMLGTCMC-KBPBESRZSA-N 1 0 390.347 2.276 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000468620878 532470363 /nfs/dbraw/zinc/47/03/63/532470363.db2.gz LHRLMVFLDIMWEA-INIZCTEOSA-N 1 0 398.732 2.377 20 0 GEADRO CN(C)c1ncc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)s1 ZINC000562519786 532470483 /nfs/dbraw/zinc/47/04/83/532470483.db2.gz OGLFMQSCDQCJDD-UHFFFAOYSA-N 1 0 398.330 2.815 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H]3CNc4ccnn4C3)nc12 ZINC000684200689 532470772 /nfs/dbraw/zinc/47/07/72/532470772.db2.gz LDBFMWLDHMAPPL-CYBMUJFWSA-N 1 0 389.301 2.476 20 0 GEADRO CN1C(=O)C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000373832349 532473034 /nfs/dbraw/zinc/47/30/34/532473034.db2.gz NISHLHUSDWXXHU-VMGRFDJRSA-N 1 0 383.279 2.112 20 0 GEADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)sc2C)s1 ZINC000195246475 532473177 /nfs/dbraw/zinc/47/31/77/532473177.db2.gz QAHPACPKFOVJNF-CMPLNLGQSA-N 1 0 382.486 2.455 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683912297 532467381 /nfs/dbraw/zinc/46/73/81/532467381.db2.gz LADKEQCTOAOECU-DYVFJYSZSA-N 1 0 385.302 2.132 20 0 GEADRO CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000468486546 532467455 /nfs/dbraw/zinc/46/74/55/532467455.db2.gz HOWHPGXZVUYYRQ-CYBMUJFWSA-N 1 0 382.302 2.212 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1Br ZINC000373885613 532477700 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GEADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(I)cc1)CC2 ZINC000295833985 532480155 /nfs/dbraw/zinc/48/01/55/532480155.db2.gz VLSUXLVIXCXVGJ-CYBMUJFWSA-N 1 0 398.248 2.134 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1Br ZINC000684633227 532480379 /nfs/dbraw/zinc/48/03/79/532480379.db2.gz DSEGZHSCRMGUKE-GFCCVEGCSA-N 1 0 398.276 2.436 20 0 GEADRO C[C@@H](CNC(=O)c1ccc(Br)c2c1OCCC2)N1CC[NH+](C)CC1 ZINC000468901570 532481291 /nfs/dbraw/zinc/48/12/91/532481291.db2.gz JGOPUEZUERUALX-ZDUSSCGKSA-N 1 0 396.329 2.140 20 0 GEADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)c3ccc(Cl)s3)ccn2)CC1 ZINC000429608434 532481390 /nfs/dbraw/zinc/48/13/90/532481390.db2.gz XHRHUZUYIXQYHE-UHFFFAOYSA-N 1 0 378.885 2.047 20 0 GEADRO O=C(NC[C@H]1CCCN(C(=O)c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000236767398 532496838 /nfs/dbraw/zinc/49/68/38/532496838.db2.gz SXMIOMLZDVIDTP-CJNGLKHVSA-N 1 0 394.313 2.170 20 0 GEADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000562760140 532482256 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C[NH+](C)[C@H](CNC(=O)C(=O)NCCc1cccc(Cl)c1)c1cccs1 ZINC000562772037 532482917 /nfs/dbraw/zinc/48/29/17/532482917.db2.gz YQNPYRKRQPYUJK-OAHLLOKOSA-N 1 0 379.913 2.479 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000562831524 532484564 /nfs/dbraw/zinc/48/45/64/532484564.db2.gz SKZUNOZJFWGSQI-UHFFFAOYSA-N 1 0 396.329 2.055 20 0 GEADRO COCC[C@@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811276 532484695 /nfs/dbraw/zinc/48/46/95/532484695.db2.gz HRQPKIBHYWZLSW-CZUORRHYSA-N 1 0 389.327 2.355 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)C1 ZINC000282649885 532485110 /nfs/dbraw/zinc/48/51/10/532485110.db2.gz HYROAMCPYCHZMG-SJLPKXTDSA-N 1 0 386.945 2.303 20 0 GEADRO O=C(Nc1cc2ccc(Br)cn2n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000429950271 532485653 /nfs/dbraw/zinc/48/56/53/532485653.db2.gz HSIDQJIKGWGMBH-ZDUSSCGKSA-N 1 0 392.301 3.046 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000651677971 532485729 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2.015 20 0 GEADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3nscc3Br)CC2)CC1 ZINC000651732579 532491731 /nfs/dbraw/zinc/49/17/31/532491731.db2.gz ZXRFUFUBFRTFDM-TXEJJXNPSA-N 1 0 387.347 2.194 20 0 GEADRO CC[C@@H](C(=O)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1)[NH+](CC)CC ZINC000685247107 532491768 /nfs/dbraw/zinc/49/17/68/532491768.db2.gz PCYVKSBUDAXMNA-WBVHZDCISA-N 1 0 375.579 2.015 20 0 GEADRO O=C(NCCCNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000236666862 532492339 /nfs/dbraw/zinc/49/23/39/532492339.db2.gz DPUBBHSPAYCREG-HNNXBMFYSA-N 1 0 394.313 2.075 20 0 GEADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000651769518 532492533 /nfs/dbraw/zinc/49/25/33/532492533.db2.gz IXQKVJIFTCZJLI-UHFFFAOYSA-N 1 0 387.933 2.481 20 0 GEADRO Cc1c(C(=O)N[C@H](C[NH3+])CC(C)C)nnn1-c1cccc(Br)c1 ZINC000236670117 532492484 /nfs/dbraw/zinc/49/24/84/532492484.db2.gz NRYAXPOPBBZZBA-ZDUSSCGKSA-N 1 0 380.290 2.441 20 0 GEADRO CC1CC[NH+](CC(=O)NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000430149842 532492606 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O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000236723141 532495247 /nfs/dbraw/zinc/49/52/47/532495247.db2.gz AANUNGLIQYRFQQ-ZDUSSCGKSA-N 1 0 395.301 2.021 20 0 GEADRO COCCOc1ccc(F)cc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000469182072 532495336 /nfs/dbraw/zinc/49/53/36/532495336.db2.gz LOVXIIFHQRRDHA-UHFFFAOYSA-N 1 0 376.494 2.248 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000520583244 532495557 /nfs/dbraw/zinc/49/55/57/532495557.db2.gz MNAJTGFEHWPIQM-YUMQZZPRSA-N 1 0 398.237 2.453 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000520583236 532495881 /nfs/dbraw/zinc/49/58/81/532495881.db2.gz MNAJTGFEHWPIQM-HTQZYQBOSA-N 1 0 398.237 2.453 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000519677191 532473866 /nfs/dbraw/zinc/47/38/66/532473866.db2.gz YBVBMIBWMIKXMK-CQSZACIVSA-N 1 0 378.270 2.253 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Br)C[C@@H]2C1 ZINC000282518238 532473853 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C[N@H+](CCOc1ccc(Br)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000468821458 532476131 /nfs/dbraw/zinc/47/61/31/532476131.db2.gz CVWYALACFXCFBR-UHFFFAOYSA-N 1 0 391.331 2.184 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000429428498 532476300 /nfs/dbraw/zinc/47/63/00/532476300.db2.gz RLVAZGWBDWZRMV-HNNXBMFYSA-N 1 0 390.347 2.249 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000564210048 532518781 /nfs/dbraw/zinc/51/87/81/532518781.db2.gz PXFQBDOGCJUVHM-NEPJUHHUSA-N 1 0 395.344 2.028 20 0 GEADRO C[C@H](c1cccs1)N(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629791255 532502268 /nfs/dbraw/zinc/50/22/68/532502268.db2.gz UJEXAZFZLWLBOQ-IJLUTSLNSA-N 1 0 377.432 2.253 20 0 GEADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000237049288 532502381 /nfs/dbraw/zinc/50/23/81/532502381.db2.gz WVMQZNAAQSZWDL-UHFFFAOYSA-N 1 0 391.896 2.448 20 0 GEADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000237004399 532502950 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[NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3onc(C4CC4)c3Cl)C2)C1 ZINC000631948086 532568158 /nfs/dbraw/zinc/56/81/58/532568158.db2.gz WAZDNJYSBZYPAM-YNEHKIRRSA-N 1 0 389.905 2.112 20 0 GEADRO C[NH2+]CCSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000565539441 532568607 /nfs/dbraw/zinc/56/86/07/532568607.db2.gz YVYGLKJKYUZBOT-UHFFFAOYSA-N 1 0 385.555 2.061 20 0 GEADRO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000631954629 532569441 /nfs/dbraw/zinc/56/94/41/532569441.db2.gz SKYWZDKXFZZZIZ-YPMHNXCESA-N 1 0 381.420 2.017 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)ccc1Cl ZINC000631153328 532545743 /nfs/dbraw/zinc/54/57/43/532545743.db2.gz ZAYIIQBIELSFLL-GDBMZVCRSA-N 1 0 381.885 2.392 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)C(=O)NCc1cc(Br)cs1 ZINC000283577027 532546582 /nfs/dbraw/zinc/54/65/82/532546582.db2.gz SGPHRDVXMBRCAJ-UHFFFAOYSA-N 1 0 388.331 2.119 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000654066904 532548145 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COCC[NH2+]C1CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000565149488 532549535 /nfs/dbraw/zinc/54/95/35/532549535.db2.gz RRWFDJVGVXLUPW-ZDUSSCGKSA-N 1 0 385.302 2.443 20 0 GEADRO Cc1nc(N)nc(N(C)Cc2cccc(Br)c2OCC(C)(C)O)n1 ZINC000631238733 532549555 /nfs/dbraw/zinc/54/95/55/532549555.db2.gz OBCRVXRSDICZRG-UHFFFAOYSA-N 1 0 396.289 2.311 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527636158 532549766 /nfs/dbraw/zinc/54/97/66/532549766.db2.gz QSNVCONHZMHZRI-UHFFFAOYSA-N 1 0 382.711 2.011 20 0 GEADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262057012 532582385 /nfs/dbraw/zinc/58/23/85/532582385.db2.gz NKHOQZWHXVMZJO-DZGCQCFKSA-N 1 0 398.370 2.436 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)C2)CC1 ZINC000632145144 532582389 /nfs/dbraw/zinc/58/23/89/532582389.db2.gz WQJMBRMQFKCKLC-CYBMUJFWSA-N 1 0 381.523 2.354 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000262051537 532582775 /nfs/dbraw/zinc/58/27/75/532582775.db2.gz IJROHEDHKHVIGW-INIZCTEOSA-N 1 0 396.329 2.087 20 0 GEADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375835909 532582997 /nfs/dbraw/zinc/58/29/97/532582997.db2.gz AELVYCRHYWSQJC-KBPBESRZSA-N 1 0 388.555 2.469 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262027626 532583410 /nfs/dbraw/zinc/58/34/10/532583410.db2.gz JIMZPOUYZINFTB-ZFWWWQNUSA-N 1 0 398.320 2.273 20 0 GEADRO CS(=O)(=O)C1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000262056143 532583572 /nfs/dbraw/zinc/58/35/72/532583572.db2.gz HXVBXYAHZCVSDH-CYBMUJFWSA-N 1 0 388.942 2.160 20 0 GEADRO COC(=O)c1cn(CC[NH2+]C2CC(c3cccc(Br)c3)C2)nn1 ZINC000284280573 532583855 /nfs/dbraw/zinc/58/38/55/532583855.db2.gz HNQDDLFNQQYGEV-UHFFFAOYSA-N 1 0 379.258 2.363 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)ccc2s1 ZINC000262062431 532584868 /nfs/dbraw/zinc/58/48/68/532584868.db2.gz OCBNORGJIHGJOT-NEPJUHHUSA-N 1 0 382.507 2.449 20 0 GEADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299483 532585042 /nfs/dbraw/zinc/58/50/42/532585042.db2.gz NJJQVLMHJXSNEU-FPMFFAJLSA-N 1 0 385.327 2.207 20 0 GEADRO O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295756 532585048 /nfs/dbraw/zinc/58/50/48/532585048.db2.gz IPIIUGCMPHGMIY-QWHCGFSZSA-N 1 0 393.203 2.359 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)C[C@@H]2CCC2(F)F)CC1 ZINC000632164400 532585374 /nfs/dbraw/zinc/58/53/74/532585374.db2.gz LMMKCELIHHHLCU-INIZCTEOSA-N 1 0 382.517 2.432 20 0 GEADRO C[C@@H](NC(=O)Nc1nc2cc(Br)ccn2n1)C1=CC[N@H+](C)CC1 ZINC000297370472 532585681 /nfs/dbraw/zinc/58/56/81/532585681.db2.gz UAJPTVASRYMLFS-SNVBAGLBSA-N 1 0 379.262 2.264 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297006 532585715 /nfs/dbraw/zinc/58/57/15/532585715.db2.gz YHNHTOKALWDRCF-FPMFFAJLSA-N 1 0 385.277 2.044 20 0 GEADRO O=C(Nc1ccnc(Br)c1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000297384759 532585775 /nfs/dbraw/zinc/58/57/75/532585775.db2.gz MHTYIOCQQSGNQJ-UONOGXRCSA-N 1 0 383.290 2.343 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3nc4cc(Br)ccn4n3)C2)C1 ZINC000297378543 532585992 /nfs/dbraw/zinc/58/59/92/532585992.db2.gz VLXNNWMGTSMCPO-OAHLLOKOSA-N 1 0 379.262 2.051 20 0 GEADRO Cc1cc(C(C)(C)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1Br ZINC000655295117 532586150 /nfs/dbraw/zinc/58/61/50/532586150.db2.gz SMYFAHNJECZVDH-LSDHHAIUSA-N 1 0 381.314 2.313 20 0 GEADRO COCC1(CNS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC[NH2+]CC1 ZINC000262128825 532586419 /nfs/dbraw/zinc/58/64/19/532586419.db2.gz XZRWPCIETLFXMW-UHFFFAOYSA-N 1 0 397.324 2.297 20 0 GEADRO C[C@]1(NC(=O)Nc2cc(F)c(F)cc2I)CC[NH2+]C1 ZINC000596119548 532586559 /nfs/dbraw/zinc/58/65/59/532586559.db2.gz LCHZYNGDVHGVOO-LBPRGKRZSA-N 1 0 381.164 2.443 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NC[C@@](C)(O)CC[NH+](C)C)c(Br)c1 ZINC000473271243 532586609 /nfs/dbraw/zinc/58/66/09/532586609.db2.gz IWASAGAPWQVCPH-DYVFJYSZSA-N 1 0 387.318 2.344 20 0 GEADRO COC[C@H](O)C[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000566005519 532587139 /nfs/dbraw/zinc/58/71/39/532587139.db2.gz PUKYUBUAQQMNJM-CABCVRRESA-N 1 0 385.302 2.158 20 0 GEADRO C[C@@]1(NC(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]C1 ZINC000596120789 532587116 /nfs/dbraw/zinc/58/71/16/532587116.db2.gz MDDVBQNCAHNDFV-GFCCVEGCSA-N 1 0 381.164 2.443 20 0 GEADRO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262154130 532587839 /nfs/dbraw/zinc/58/78/39/532587839.db2.gz ZEJDPCNWCGOUBN-MRXNPFEDSA-N 1 0 396.329 2.356 20 0 GEADRO O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000565991103 532587868 /nfs/dbraw/zinc/58/78/68/532587868.db2.gz FKOWBHPVDIOHJI-DZGCQCFKSA-N 1 0 376.503 2.405 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000262189055 532588587 /nfs/dbraw/zinc/58/85/87/532588587.db2.gz ZMWNTOAYXKDAHU-QAPCUYQASA-N 1 0 394.313 2.251 20 0 GEADRO CS[C@H]1CN(C(=O)c2nc(-c3ccc(Cl)cc3)nn2C)C[C@H]1[NH+](C)C ZINC000297429286 532588701 /nfs/dbraw/zinc/58/87/01/532588701.db2.gz KIRGOOAIYSMNHG-KGLIPLIRSA-N 1 0 379.917 2.253 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000297410140 532589028 /nfs/dbraw/zinc/58/90/28/532589028.db2.gz QMGBRQIXYJNBBP-WJZNIJOASA-N 1 0 388.331 2.213 20 0 GEADRO C[C@@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197588 532589101 /nfs/dbraw/zinc/58/91/01/532589101.db2.gz UADPDRINTSEIHI-GHMZBOCLSA-N 1 0 380.436 2.360 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCC[NH2+]1 ZINC000262219213 532589134 /nfs/dbraw/zinc/58/91/34/532589134.db2.gz FOPWJENVNOENQU-ZDUSSCGKSA-N 1 0 386.823 2.406 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CCCO1 ZINC000566056984 532589768 /nfs/dbraw/zinc/58/97/68/532589768.db2.gz ZAQWJNKQMJQXCY-SNVBAGLBSA-N 1 0 385.852 2.579 20 0 GEADRO C[C@@H](C[NH3+])C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000262357171 532590127 /nfs/dbraw/zinc/59/01/27/532590127.db2.gz GXBNSYVEVNLYFA-NSHDSACASA-N 1 0 388.249 2.256 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000375996661 532590729 /nfs/dbraw/zinc/59/07/29/532590729.db2.gz AEKWINWYJQQCBB-ZDUSSCGKSA-N 1 0 385.302 2.295 20 0 GEADRO C[C@H]1CN(C(=O)c2c(F)cncc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000632209532 532590846 /nfs/dbraw/zinc/59/08/46/532590846.db2.gz GMQDNEOFUVEJEB-WFASDCNBSA-N 1 0 399.308 2.081 20 0 GEADRO Cc1ccc(OCCC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000262375979 532591142 /nfs/dbraw/zinc/59/11/42/532591142.db2.gz MIMIUSBMYHGPGE-OAHLLOKOSA-N 1 0 396.329 2.033 20 0 GEADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000297481437 532591557 /nfs/dbraw/zinc/59/15/57/532591557.db2.gz ZWFQEGLRKUDETF-DAXOMENPSA-N 1 0 394.313 2.392 20 0 GEADRO C[C@H](CC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000566071433 532592220 /nfs/dbraw/zinc/59/22/20/532592220.db2.gz MLRHIINACZYYIR-SJKOYZFVSA-N 1 0 396.329 2.460 20 0 GEADRO Cc1c(C(=O)NCc2ccc(F)cc2Br)nnn1C1CC[NH2+]CC1 ZINC000262371321 532592341 /nfs/dbraw/zinc/59/23/41/532592341.db2.gz LSZZQXGRPDNENJ-UHFFFAOYSA-N 1 0 396.264 2.343 20 0 GEADRO COCC1(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000262409118 532592677 /nfs/dbraw/zinc/59/26/77/532592677.db2.gz SFTGGZYNCNHDCM-INIZCTEOSA-N 1 0 397.313 2.365 20 0 GEADRO Cc1ccc(SC[C@@H](C)NS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1 ZINC000632227386 532593061 /nfs/dbraw/zinc/59/30/61/532593061.db2.gz WGVMESRNPSQWEY-QGZVFWFLSA-N 1 0 385.599 2.033 20 0 GEADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000566108648 532593472 /nfs/dbraw/zinc/59/34/72/532593472.db2.gz XDYFCMBEUOBTDY-QGZVFWFLSA-N 1 0 382.913 2.284 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)CCc3cc(Br)cs3)C[C@H]2[NH3+])cn1 ZINC000566095576 532593644 /nfs/dbraw/zinc/59/36/44/532593644.db2.gz MYAYRSJDJUWTRE-UONOGXRCSA-N 1 0 383.315 2.130 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)NCc1ccc(O)c(Br)c1 ZINC000297524908 532593985 /nfs/dbraw/zinc/59/39/85/532593985.db2.gz VNBHEJADSZZGGG-UHFFFAOYSA-N 1 0 382.262 2.235 20 0 GEADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)s1 ZINC000376073026 532594474 /nfs/dbraw/zinc/59/44/74/532594474.db2.gz CAGDIDJSNICCEL-TZMCWYRMSA-N 1 0 387.571 2.248 20 0 GEADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262449424 532594682 /nfs/dbraw/zinc/59/46/82/532594682.db2.gz DVOGABNSLXYPBE-VRKREXBASA-N 1 0 397.313 2.226 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(Br)cc1 ZINC000250077492 532570592 /nfs/dbraw/zinc/57/05/92/532570592.db2.gz OSFXYOAABRMQLO-LYRGGWFBSA-N 1 0 382.302 2.131 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631968641 532571059 /nfs/dbraw/zinc/57/10/59/532571059.db2.gz WBMLLRQLCKCWLB-WDEREUQCSA-N 1 0 377.304 2.063 20 0 GEADRO O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631995032 532572051 /nfs/dbraw/zinc/57/20/51/532572051.db2.gz WUIGRBHAYRQWCK-WFASDCNBSA-N 1 0 378.416 2.390 20 0 GEADRO C[C@H]1CCCN(CC(=O)Nc2cccc(I)c2)[C@H]1C[NH3+] ZINC000251569558 532572260 /nfs/dbraw/zinc/57/22/60/532572260.db2.gz APVXYEUZCUSTLU-FZMZJTMJSA-N 1 0 387.265 2.289 20 0 GEADRO COC[C@@H]1CN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000251857225 532572400 /nfs/dbraw/zinc/57/24/00/532572400.db2.gz NXPLCBGTTSJHJR-ZENOOKHLSA-N 1 0 385.302 2.362 20 0 GEADRO COC[C@@H]1CN(CC(=O)N(C)Cc2ccccc2Br)C[C@@H](C)O1 ZINC000251535231 532572568 /nfs/dbraw/zinc/57/25/68/532572568.db2.gz DJUDELHAWYKGJL-HIFRSBDPSA-N 1 0 385.302 2.143 20 0 GEADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000565712502 532572744 /nfs/dbraw/zinc/57/27/44/532572744.db2.gz YQWYXKPGMBQASL-SWLSCSKDSA-N 1 0 385.302 2.475 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000654888184 532573274 /nfs/dbraw/zinc/57/32/74/532573274.db2.gz AELWOAVHYXSTTK-JGZJWPJOSA-N 1 0 388.693 2.497 20 0 GEADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(O)cc(Br)c2)CC1 ZINC000528561172 532573392 /nfs/dbraw/zinc/57/33/92/532573392.db2.gz DHXSBMMHYWYMTP-UHFFFAOYSA-N 1 0 384.318 2.158 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297209224 532573703 /nfs/dbraw/zinc/57/37/03/532573703.db2.gz YFMMGCDJRVFPHI-UHFFFAOYSA-N 1 0 384.322 2.304 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528608167 532574330 /nfs/dbraw/zinc/57/43/30/532574330.db2.gz ZOWFMURKOWGLNA-GJZGRUSLSA-N 1 0 399.329 2.317 20 0 GEADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000654901944 532574324 /nfs/dbraw/zinc/57/43/24/532574324.db2.gz SGHQORFMEXNTIQ-UHFFFAOYSA-N 1 0 383.290 2.115 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000654889402 532574353 /nfs/dbraw/zinc/57/43/53/532574353.db2.gz QJWBPFDEUDGHML-SWZMTVOYSA-N 1 0 388.693 2.497 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@H]1[NH+](C)C ZINC000472441329 532575354 /nfs/dbraw/zinc/57/53/54/532575354.db2.gz ZPMUTVNSVGICEO-VHDGCEQUSA-N 1 0 385.327 2.257 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ncc1Br ZINC000654948600 532575451 /nfs/dbraw/zinc/57/54/51/532575451.db2.gz DASLPAKAPDSQFN-KGLIPLIRSA-N 1 0 395.301 2.224 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261658082 532575660 /nfs/dbraw/zinc/57/56/60/532575660.db2.gz FAJARCPCLZWZAX-UHFFFAOYSA-N 1 0 383.470 2.036 20 0 GEADRO NC(=O)c1ncc(Br)cc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000472508143 532576000 /nfs/dbraw/zinc/57/60/00/532576000.db2.gz VLMAPFGDDKPTDD-UHFFFAOYSA-N 1 0 390.285 2.415 20 0 GEADRO CO[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1Br ZINC000654928071 532576127 /nfs/dbraw/zinc/57/61/27/532576127.db2.gz WOSMMHFMQYOFDS-RHSMWYFYSA-N 1 0 399.329 2.490 20 0 GEADRO CC(C)C(=O)NC1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261688444 532576770 /nfs/dbraw/zinc/57/67/70/532576770.db2.gz HNJWEOHCFMTTGW-SFHVURJKSA-N 1 0 396.329 2.386 20 0 GEADRO O=C(CCc1cc(Cl)cs1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261744272 532577448 /nfs/dbraw/zinc/57/74/48/532577448.db2.gz DXLDRPSOLMKRPM-CJNGLKHVSA-N 1 0 383.945 2.441 20 0 GEADRO COc1cccc([C@H](O)CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261739132 532577632 /nfs/dbraw/zinc/57/76/32/532577632.db2.gz LQKLEKPMTOCXAA-SJLPKXTDSA-N 1 0 393.281 2.481 20 0 GEADRO COC(=O)[C@@H](NC(=O)c1cc(C(C)(C)[NH3+])no1)c1ccc(Br)cc1 ZINC000595934626 532577880 /nfs/dbraw/zinc/57/78/80/532577880.db2.gz WOAIQNKVKBPNOG-ZDUSSCGKSA-N 1 0 396.241 2.275 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000261748347 532578441 /nfs/dbraw/zinc/57/84/41/532578441.db2.gz UMBFAIJTOFEALE-UWVGGRQHSA-N 1 0 386.823 2.486 20 0 GEADRO COCC1(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000261975248 532578966 /nfs/dbraw/zinc/57/89/66/532578966.db2.gz IQVDDYWNRLIGER-UHFFFAOYSA-N 1 0 380.432 2.086 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595947371 532579448 /nfs/dbraw/zinc/57/94/48/532579448.db2.gz KPNUUDFFYQHOJA-RBSFLKMASA-N 1 0 387.908 2.089 20 0 GEADRO C[C@]1(CO)CN(Cc2cc3c(cc2Br)OCCO3)C[C@@]1(C)CO ZINC000528750546 532579568 /nfs/dbraw/zinc/57/95/68/532579568.db2.gz PTVCINRAZAEPQV-CALCHBBNSA-N 1 0 386.286 2.033 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH2+]C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000565831755 532579582 /nfs/dbraw/zinc/57/95/82/532579582.db2.gz FYIKVOXDZZVBCO-KNXALSJPSA-N 1 0 395.297 2.305 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@H]3CCC[NH2+]C3)ccc2s1 ZINC000261974718 532579690 /nfs/dbraw/zinc/57/96/90/532579690.db2.gz BTJQGYHSXJKONC-LBPRGKRZSA-N 1 0 382.507 2.356 20 0 GEADRO Cc1c(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000297305905 532579730 /nfs/dbraw/zinc/57/97/30/532579730.db2.gz FNIVGMDTDAMGIZ-QMTHXVAHSA-N 1 0 378.274 2.290 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)CC[C@H]21 ZINC000297299580 532579743 /nfs/dbraw/zinc/57/97/43/532579743.db2.gz INJBQMIRMXTLPP-WCQYABFASA-N 1 0 393.289 2.440 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000565838541 532579939 /nfs/dbraw/zinc/57/99/39/532579939.db2.gz OVNRVRUDLUBLTD-HNNXBMFYSA-N 1 0 399.329 2.381 20 0 GEADRO Cc1c(Br)cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c(=O)n1C ZINC000433819500 532580303 /nfs/dbraw/zinc/58/03/03/532580303.db2.gz JLKLHUBSSUVZIQ-UHFFFAOYSA-N 1 0 384.318 2.451 20 0 GEADRO O=C(NCCc1ccc(Br)s1)C1(n2cccn2)CC[NH2+]CC1 ZINC000261951175 532580506 /nfs/dbraw/zinc/58/05/06/532580506.db2.gz OIFBZBBWVTXPLA-UHFFFAOYSA-N 1 0 383.315 2.145 20 0 GEADRO O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000632127465 532580705 /nfs/dbraw/zinc/58/07/05/532580705.db2.gz CSFMTXJJRNCKHJ-JQWIXIFHSA-N 1 0 378.420 2.066 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632129729 532580795 /nfs/dbraw/zinc/58/07/95/532580795.db2.gz NCFLJJZERBWBAG-JHJVBQTASA-N 1 0 389.905 2.078 20 0 GEADRO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2ncsc2Br)CC1 ZINC000632132004 532580866 /nfs/dbraw/zinc/58/08/66/532580866.db2.gz IDUYHWJRNABHRJ-UHFFFAOYSA-N 1 0 396.376 2.445 20 0 GEADRO O=C(NCCc1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000297314984 532582085 /nfs/dbraw/zinc/58/20/85/532582085.db2.gz AXEFXLDOLDAQLQ-INIZCTEOSA-N 1 0 396.329 2.355 20 0 GEADRO O=C(NCCc1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000656320403 532613811 /nfs/dbraw/zinc/61/38/11/532613811.db2.gz QRIQZUNQANQXPX-IRXDYDNUSA-N 1 0 396.329 2.232 20 0 GEADRO COc1ccc(CN2CC[C@H]2CNC(=O)Cn2cc(Br)cn2)cc1 ZINC000529838493 532614900 /nfs/dbraw/zinc/61/49/00/532614900.db2.gz SIGMLVPPMKSCDS-HNNXBMFYSA-N 1 0 393.285 2.045 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000474360551 532614890 /nfs/dbraw/zinc/61/48/90/532614890.db2.gz AGQLDFKSLXASDS-STQMWFEESA-N 1 0 382.302 2.120 20 0 GEADRO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc[nH]c(=O)c1Br ZINC000435351542 532615021 /nfs/dbraw/zinc/61/50/21/532615021.db2.gz XBHWMPGSYJFOGI-UHFFFAOYSA-N 1 0 398.301 2.315 20 0 GEADRO CSc1nc(C)c(CCC(=O)NCC2(SC)CC[NH+](C)CC2)c(=O)[nH]1 ZINC000566533997 532615296 /nfs/dbraw/zinc/61/52/96/532615296.db2.gz KKVJXDRQHBMJCS-UHFFFAOYSA-N 1 0 384.571 2.089 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566549830 532616383 /nfs/dbraw/zinc/61/63/83/532616383.db2.gz RAQSQPXQDWEZSR-MRXNPFEDSA-N 1 0 384.249 2.129 20 0 GEADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)Cc1ncsc1Br ZINC000632507280 532617295 /nfs/dbraw/zinc/61/72/95/532617295.db2.gz WZLDLMZFVUDKHV-UHFFFAOYSA-N 1 0 384.365 2.303 20 0 GEADRO CSC1(CNC(=O)c2cc(I)c[nH]2)CC[NH+](C)CC1 ZINC000566593899 532618833 /nfs/dbraw/zinc/61/88/33/532618833.db2.gz XFAKKXSFCOXYHT-UHFFFAOYSA-N 1 0 393.294 2.177 20 0 GEADRO NC(=O)c1csc(C(=O)N(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435575467 532622179 /nfs/dbraw/zinc/62/21/79/532622179.db2.gz RLLXZIRQWIVSLF-CYBMUJFWSA-N 1 0 376.507 2.088 20 0 GEADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccccc3Br)nn2)n1 ZINC000656439165 532619667 /nfs/dbraw/zinc/61/96/67/532619667.db2.gz MLMWVSMHKODNBC-UHFFFAOYSA-N 1 0 375.274 2.443 20 0 GEADRO CC(=O)N1CCC([N@H+](CCn2c(C)csc2=O)Cc2cncs2)CC1 ZINC000566597697 532619772 /nfs/dbraw/zinc/61/97/72/532619772.db2.gz SBPGWVFDXGKZEK-UHFFFAOYSA-N 1 0 380.539 2.188 20 0 GEADRO C[C@H](C(=O)N1CCCC1)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000656446738 532619775 /nfs/dbraw/zinc/61/97/75/532619775.db2.gz ZSJPCTNWQCQCHE-IAQYHMDHSA-N 1 0 378.274 2.272 20 0 GEADRO C[C@H](NC(=O)COC1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000566614137 532619804 /nfs/dbraw/zinc/61/98/04/532619804.db2.gz PZIVFCYSDBFCML-NSHDSACASA-N 1 0 399.285 2.166 20 0 GEADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)Cc1cn2ccsc2n1 ZINC000435593688 532622235 /nfs/dbraw/zinc/62/22/35/532622235.db2.gz NWRYWJCSNQXXIL-CYBMUJFWSA-N 1 0 375.523 2.342 20 0 GEADRO O=S(=O)(CCc1ccc(Cl)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000566616329 532620908 /nfs/dbraw/zinc/62/09/08/532620908.db2.gz CYVDUTVMKTZNEV-UHFFFAOYSA-N 1 0 386.945 2.447 20 0 GEADRO COC(=O)C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000530459307 532621106 /nfs/dbraw/zinc/62/11/06/532621106.db2.gz LDGHQUYNPQOHKN-YVEFUNNKSA-N 1 0 383.286 2.295 20 0 GEADRO C[C@@H]1C[N@@H+](Cc2ccc(CNS(=O)(=O)c3cscn3)cc2)C[C@H](C)O1 ZINC000566161825 532596330 /nfs/dbraw/zinc/59/63/30/532596330.db2.gz ILKATDQMYDPINS-OKILXGFUSA-N 1 0 381.523 2.231 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000529373487 532597809 /nfs/dbraw/zinc/59/78/09/532597809.db2.gz DUCXKNJUYMQVCL-MEBBXXQBSA-N 1 0 392.258 2.204 20 0 GEADRO O=C(Nc1nnc(SCc2cccs2)s1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000566171651 532598045 /nfs/dbraw/zinc/59/80/45/532598045.db2.gz GJWVFSGGKQXGCD-SECBINFHSA-N 1 0 392.535 2.944 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000262710759 532598198 /nfs/dbraw/zinc/59/81/98/532598198.db2.gz CNFKBCHRWFVJSE-XTCJLCLGSA-N 1 0 387.343 2.451 20 0 GEADRO COc1cc(Br)c(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1OC ZINC000284512275 532598500 /nfs/dbraw/zinc/59/85/00/532598500.db2.gz DBZZGVHFPMTDEA-OLZOCXBDSA-N 1 0 384.274 2.064 20 0 GEADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529369020 532598690 /nfs/dbraw/zinc/59/86/90/532598690.db2.gz WJZPBIMAQRECIU-ZENOOKHLSA-N 1 0 385.327 2.187 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529374944 532598702 /nfs/dbraw/zinc/59/87/02/532598702.db2.gz FUJGLVHNIHXWFJ-KBPBESRZSA-N 1 0 382.302 2.284 20 0 GEADRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000434703096 532599230 /nfs/dbraw/zinc/59/92/30/532599230.db2.gz PXKPGLLUDVFJSR-DZGCQCFKSA-N 1 0 377.312 2.386 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262749982 532599461 /nfs/dbraw/zinc/59/94/61/532599461.db2.gz GCDYOGGVRPIUPU-OBJOEFQTSA-N 1 0 376.906 2.173 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262750820 532599547 /nfs/dbraw/zinc/59/95/47/532599547.db2.gz GHGJTDPXQWSUKL-RKDXNWHRSA-N 1 0 381.267 2.016 20 0 GEADRO Cc1cc(Br)c(C(=O)N[C@@H](CO)C[NH+](C)C)cc1Br ZINC000529390091 532599634 /nfs/dbraw/zinc/59/96/34/532599634.db2.gz VWNWZWIBONHUTP-SECBINFHSA-N 1 0 394.107 2.172 20 0 GEADRO COc1ncc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1Cl ZINC000284527262 532599678 /nfs/dbraw/zinc/59/96/78/532599678.db2.gz WXFUCAXOPBITJW-ZYHUDNBSSA-N 1 0 390.914 2.291 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@@H]1C ZINC000434707261 532599963 /nfs/dbraw/zinc/59/99/63/532599963.db2.gz QGDKSGJFATXPRN-VXGBXAGGSA-N 1 0 383.290 2.170 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000529387882 532600402 /nfs/dbraw/zinc/60/04/02/532600402.db2.gz QEGDVUCLUUDXMR-INIZCTEOSA-N 1 0 382.302 2.327 20 0 GEADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000434715452 532600447 /nfs/dbraw/zinc/60/04/47/532600447.db2.gz YWLWFSGOPVFYKO-BXUZGUMPSA-N 1 0 383.290 2.217 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)C[C@H]12 ZINC000262788679 532600891 /nfs/dbraw/zinc/60/08/91/532600891.db2.gz REWYKAGXLUDREE-WCABBAIRSA-N 1 0 379.707 2.460 20 0 GEADRO COc1cc(Br)c(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1OC ZINC000655841652 532600833 /nfs/dbraw/zinc/60/08/33/532600833.db2.gz GISYMDUWNJXRGO-NSHDSACASA-N 1 0 381.274 2.242 20 0 GEADRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000655843653 532601252 /nfs/dbraw/zinc/60/12/52/532601252.db2.gz URFXGISKHYPIES-NSHDSACASA-N 1 0 384.299 2.212 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CC[NH2+][C@@H]2CC)c(F)cc1F ZINC000566247955 532601723 /nfs/dbraw/zinc/60/17/23/532601723.db2.gz COGFABQHYUTARF-ZWNOBZJWSA-N 1 0 375.441 2.443 20 0 GEADRO [NH3+]C[C@H](NC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C(F)(F)F ZINC000655911891 532601848 /nfs/dbraw/zinc/60/18/48/532601848.db2.gz IIKBMSZVVBBNFO-ZDUSSCGKSA-N 1 0 382.789 2.196 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000262824293 532602322 /nfs/dbraw/zinc/60/23/22/532602322.db2.gz PVIJVNXVAMCZIW-KCXAZCMYSA-N 1 0 394.313 2.168 20 0 GEADRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)[C@H]1C ZINC000262811713 532602634 /nfs/dbraw/zinc/60/26/34/532602634.db2.gz YFZBBEITBCXLSD-IHRRRGAJSA-N 1 0 388.917 2.126 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000262824300 532602719 /nfs/dbraw/zinc/60/27/19/532602719.db2.gz PVIJVNXVAMCZIW-WQVCFCJDSA-N 1 0 394.313 2.168 20 0 GEADRO O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000529466912 532602697 /nfs/dbraw/zinc/60/26/97/532602697.db2.gz HZPRTJXMAPMHJJ-MRXNPFEDSA-N 1 0 384.307 2.349 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C(F)(F)F ZINC000655911890 532602776 /nfs/dbraw/zinc/60/27/76/532602776.db2.gz IIKBMSZVVBBNFO-CYBMUJFWSA-N 1 0 382.789 2.196 20 0 GEADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000656471851 532621609 /nfs/dbraw/zinc/62/16/09/532621609.db2.gz JBHBTBPUHTVSNU-CYBMUJFWSA-N 1 0 379.707 2.477 20 0 GEADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)C[C@H]1c1ccccc1F ZINC000566299457 532603039 /nfs/dbraw/zinc/60/30/39/532603039.db2.gz BFURSQGILCTSFL-DZGCQCFKSA-N 1 0 393.260 2.348 20 0 GEADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)C(F)(F)F ZINC000655915354 532603603 /nfs/dbraw/zinc/60/36/03/532603603.db2.gz UJEVTLUQPHLLMF-ONGXEEELSA-N 1 0 382.180 2.462 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)C(F)(F)F ZINC000655921444 532603728 /nfs/dbraw/zinc/60/37/28/532603728.db2.gz XDDVDVDHHSKKJR-ZYHUDNBSSA-N 1 0 378.782 2.024 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC[N@@H+](C2CCC2)C1 ZINC000632360757 532605185 /nfs/dbraw/zinc/60/51/85/532605185.db2.gz DRVWFXSICRCDQE-LBPRGKRZSA-N 1 0 381.523 2.497 20 0 GEADRO COc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1Br ZINC000284659798 532608884 /nfs/dbraw/zinc/60/88/84/532608884.db2.gz SZKYUCIKUGWMSB-NEPJUHHUSA-N 1 0 386.290 2.377 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000474176502 532608995 /nfs/dbraw/zinc/60/89/95/532608995.db2.gz NFMULDLRIRGBNV-WDEREUQCSA-N 1 0 377.304 2.137 20 0 GEADRO CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000566437423 532609095 /nfs/dbraw/zinc/60/90/95/532609095.db2.gz BRQXZDDUIGVHSO-NUEKZKHPSA-N 1 0 385.599 2.020 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC[NH2+]1 ZINC000262969282 532609133 /nfs/dbraw/zinc/60/91/33/532609133.db2.gz XKHVTRKABZZZLT-VXGBXAGGSA-N 1 0 399.563 2.158 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000474166125 532609397 /nfs/dbraw/zinc/60/93/97/532609397.db2.gz YUBOVLKJRVSFAC-GFCCVEGCSA-N 1 0 380.432 2.225 20 0 GEADRO O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccccc1I ZINC000435232437 532611076 /nfs/dbraw/zinc/61/10/76/532611076.db2.gz LTOSHRJKMZKQNB-GFCCVEGCSA-N 1 0 385.249 2.056 20 0 GEADRO O=C(COc1ccc(I)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435236330 532611156 /nfs/dbraw/zinc/61/11/56/532611156.db2.gz RNKFLGWVUQUSAE-CYBMUJFWSA-N 1 0 386.233 2.023 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000297900877 532611531 /nfs/dbraw/zinc/61/15/31/532611531.db2.gz QCECPEJJBLDAGB-UHFFFAOYSA-N 1 0 396.329 2.208 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)c(Cl)c1F)C(=O)NCC[NH+](C)C ZINC000566462840 532611838 /nfs/dbraw/zinc/61/18/38/532611838.db2.gz ROCHQQRQNJPJHF-MRVPVSSYSA-N 1 0 394.672 2.038 20 0 GEADRO Cn1nccc1[C@@H](CO)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000597150501 532611978 /nfs/dbraw/zinc/61/19/78/532611978.db2.gz CYXXUQJZTDRNFD-UONOGXRCSA-N 1 0 383.233 2.335 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656289248 532612641 /nfs/dbraw/zinc/61/26/41/532612641.db2.gz PNDMKPGCJKJIPY-CVEARBPZSA-N 1 0 394.313 2.198 20 0 GEADRO O=C(C1CCS(=O)(=O)CC1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435557817 532622303 /nfs/dbraw/zinc/62/23/03/532622303.db2.gz BZSCEDKFOFVSEF-MRXNPFEDSA-N 1 0 382.551 2.044 20 0 GEADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000597185851 532613447 /nfs/dbraw/zinc/61/34/47/532613447.db2.gz DQXDOSFZNKVVSV-DLBZAZTESA-N 1 0 397.313 2.334 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@H]1SC ZINC000597178140 532613460 /nfs/dbraw/zinc/61/34/60/532613460.db2.gz BEQUZDMWQVYYDP-MGPQQGTHSA-N 1 0 388.331 2.073 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000474622329 532622556 /nfs/dbraw/zinc/62/25/56/532622556.db2.gz NBWMYDVCSKHMRP-UHFFFAOYSA-N 1 0 381.523 2.355 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)n1 ZINC000284811622 532622915 /nfs/dbraw/zinc/62/29/15/532622915.db2.gz QKEMCGKZJKQYCG-NWDGAFQWSA-N 1 0 383.290 2.019 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000298068751 532623050 /nfs/dbraw/zinc/62/30/50/532623050.db2.gz CURJEPDCYNDIAD-CYBMUJFWSA-N 1 0 376.881 2.060 20 0 GEADRO CS[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000566679569 532623344 /nfs/dbraw/zinc/62/33/44/532623344.db2.gz YYNDAQLVJAVNEL-MRCXROJRSA-N 1 0 382.295 2.030 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376657469 532623403 /nfs/dbraw/zinc/62/34/03/532623403.db2.gz VUOQLOOSTIWJCG-VXGBXAGGSA-N 1 0 382.555 2.108 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2nc3c(s2)CSCC3)C1 ZINC000376653819 532623624 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Cc1sc(Br)nc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000298123609 532627951 /nfs/dbraw/zinc/62/79/51/532627951.db2.gz MZQSLNJYDACVIX-UHFFFAOYSA-N 1 0 376.320 2.179 20 0 GEADRO CC1(N2CCOCC2)CCN(S(=O)(=O)C[C@H]2CCCC(F)(F)C2)CC1 ZINC000632597601 532628012 /nfs/dbraw/zinc/62/80/12/532628012.db2.gz XWSBRAHSVFBXLA-HNNXBMFYSA-N 1 0 380.501 2.328 20 0 GEADRO O[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)C1CCOCC1 ZINC000474819388 532628308 /nfs/dbraw/zinc/62/83/08/532628308.db2.gz XVBSFVXDIIWPGO-ZDUSSCGKSA-N 1 0 397.203 2.447 20 0 GEADRO C[N@@H+]1CC[C@H]2OCCN(Cc3nnc(-c4ccccc4Br)o3)[C@@H]2C1 ZINC000284889382 532629309 /nfs/dbraw/zinc/62/93/09/532629309.db2.gz REDDFBZHKMKTNU-HUUCEWRRSA-N 1 0 393.285 2.404 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000376811327 532629673 /nfs/dbraw/zinc/62/96/73/532629673.db2.gz IOYJDDXIIYZOEU-CQSZACIVSA-N 1 0 384.929 2.359 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3csc(-c4ccoc4)n3)CC2)C1 ZINC000376799183 532629801 /nfs/dbraw/zinc/62/98/01/532629801.db2.gz NIGUHESXIZQQSN-HNNXBMFYSA-N 1 0 381.523 2.144 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000298155130 532630318 /nfs/dbraw/zinc/63/03/18/532630318.db2.gz ZGSXTLLTNBLFIT-CJNGLKHVSA-N 1 0 396.329 2.349 20 0 GEADRO CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000298170993 532631075 /nfs/dbraw/zinc/63/10/75/532631075.db2.gz CHARJRWOCXHVJP-ZDUSSCGKSA-N 1 0 387.933 2.369 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@]1(O)CCOC1 ZINC000474876869 532631185 /nfs/dbraw/zinc/63/11/85/532631185.db2.gz GPGFBQAJYVLQDQ-IUODEOHRSA-N 1 0 375.250 2.353 20 0 GEADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1c[nH]nc1-c1ccsc1)c1cccs1 ZINC000436296961 532631677 /nfs/dbraw/zinc/63/16/77/532631677.db2.gz UJACMLIIZMEKKR-CYBMUJFWSA-N 1 0 383.520 2.124 20 0 GEADRO CC[C@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)CC[NH2+]C1 ZINC000376816485 532632008 /nfs/dbraw/zinc/63/20/08/532632008.db2.gz REBOUEPPASDDRL-KRWDZBQOSA-N 1 0 382.302 2.075 20 0 GEADRO O=C(CCN1C(=S)N=NC1c1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000298196091 532633488 /nfs/dbraw/zinc/63/34/88/532633488.db2.gz QOHOTPFBYCUMDU-UHFFFAOYSA-N 1 0 377.539 2.428 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H](O)C1CCOCC1 ZINC000531286883 532633664 /nfs/dbraw/zinc/63/36/64/532633664.db2.gz PBKQOECVFPGUGM-KRWDZBQOSA-N 1 0 399.329 2.127 20 0 GEADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000531283594 532633718 /nfs/dbraw/zinc/63/37/18/532633718.db2.gz WSEDWUIYUCGTOF-SNVBAGLBSA-N 1 0 388.693 2.499 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)[N@@H+]1CCC[C@H](C)C1 ZINC000284957606 532634995 /nfs/dbraw/zinc/63/49/95/532634995.db2.gz ZOSQBFRGHQKIBX-UWVGGRQHSA-N 1 0 378.420 2.337 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000531789945 532637198 /nfs/dbraw/zinc/63/71/98/532637198.db2.gz XNHIIRPZOCEDMS-LBPRGKRZSA-N 1 0 378.270 2.457 20 0 GEADRO Cc1nc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)ccc1Br ZINC000436507844 532637225 /nfs/dbraw/zinc/63/72/25/532637225.db2.gz GRCPXADKQNPJRD-UHFFFAOYSA-N 1 0 386.338 2.500 20 0 GEADRO CC(C)[C@H](CCO)[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000475136343 532638121 /nfs/dbraw/zinc/63/81/21/532638121.db2.gz PBNDPWRBDFYPHB-INIZCTEOSA-N 1 0 387.318 2.283 20 0 GEADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC000567048251 532639057 /nfs/dbraw/zinc/63/90/57/532639057.db2.gz WRPGFLQOKXKZSF-UHFFFAOYSA-N 1 0 388.555 2.010 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000285000730 532639139 /nfs/dbraw/zinc/63/91/39/532639139.db2.gz CADCPAPNOIVPGN-ZJUUUORDSA-N 1 0 376.404 2.043 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000285000723 532639223 /nfs/dbraw/zinc/63/92/23/532639223.db2.gz CADCPAPNOIVPGN-UWVGGRQHSA-N 1 0 376.404 2.043 20 0 GEADRO Cc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C2)cc1 ZINC000632707325 532639921 /nfs/dbraw/zinc/63/99/21/532639921.db2.gz LEWZAIQAHTYEFR-OAHLLOKOSA-N 1 0 380.432 2.068 20 0 GEADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ncccc2Br)CC1 ZINC000656886122 532640232 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CN1CCN(c2ncc(Br)cc2NC(=O)CCCC[NH+](C)C)CC1 ZINC000569194599 532691054 /nfs/dbraw/zinc/69/10/54/532691054.db2.gz DIWPOAVPPVWQRB-UHFFFAOYSA-N 1 0 398.349 2.266 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000606908800 532703325 /nfs/dbraw/zinc/70/33/25/532703325.db2.gz YYMHTNREOWLMFA-ZFWWWQNUSA-N 1 0 385.555 2.052 20 0 GEADRO COc1cc(Cl)c(Cl)cc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000666868832 532705067 /nfs/dbraw/zinc/70/50/67/532705067.db2.gz FHSLVYIYSURPQT-UHFFFAOYSA-N 1 0 391.299 2.486 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc(Br)ccc2=O)C[C@@H]1C ZINC000607121503 532705262 /nfs/dbraw/zinc/70/52/62/532705262.db2.gz LQWOYCQIFFFXOE-DZGCQCFKSA-N 1 0 384.318 2.332 20 0 GEADRO C[C@H](NC(=O)c1c(Cl)cc(F)cc1Br)C(=O)NCC[NH+](C)C ZINC000569708257 532705798 /nfs/dbraw/zinc/70/57/98/532705798.db2.gz QENYBYZWFGJICZ-QMMMGPOBSA-N 1 0 394.672 2.038 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000440074718 532707559 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CN(C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000299384059 532714224 /nfs/dbraw/zinc/71/42/24/532714224.db2.gz ODCRINSWGZHTSK-UHFFFAOYSA-N 1 0 380.432 2.484 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000408300114 532715817 /nfs/dbraw/zinc/71/58/17/532715817.db2.gz XTOYDYVQRZFKFW-ZIAGYGMSSA-N 1 0 389.315 2.363 20 0 GEADRO Cc1nnsc1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000575065195 532716730 /nfs/dbraw/zinc/71/67/30/532716730.db2.gz ZHBNDOBRBCLNIQ-UHFFFAOYSA-N 1 0 377.436 2.451 20 0 GEADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1nc(C2CC2)ncc1Br ZINC000494305297 532717069 /nfs/dbraw/zinc/71/70/69/532717069.db2.gz BACWTVJHSPENOE-ZDUSSCGKSA-N 1 0 397.317 2.299 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)c1csc2ccccc21)N1CC[NH+](C)CC1 ZINC000285889901 532717792 /nfs/dbraw/zinc/71/77/92/532717792.db2.gz GDIDMVWDKGTOAT-INIZCTEOSA-N 1 0 381.567 2.452 20 0 GEADRO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670495252 532717923 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GEADRO CC(C)[C@H](CNS(=O)(=O)CCc1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000286032183 532725596 /nfs/dbraw/zinc/72/55/96/532725596.db2.gz PXPHLEUWSPSRIQ-SFHVURJKSA-N 1 0 387.977 2.074 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)NCCN1C(=O)CSC1=O)c1ccsc1 ZINC000299567139 532727233 /nfs/dbraw/zinc/72/72/33/532727233.db2.gz VFXWOQYOZXZSIU-ZDUSSCGKSA-N 1 0 384.527 2.126 20 0 GEADRO CC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1nc(C(F)(F)F)cs1 ZINC000266845925 532727646 /nfs/dbraw/zinc/72/76/46/532727646.db2.gz PSRRNTXRFHDZHE-GHMZBOCLSA-N 1 0 379.452 2.158 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000441999215 532727989 /nfs/dbraw/zinc/72/79/89/532727989.db2.gz KUFXIGVUCHUYBO-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO O=C(COc1ccccc1Br)N1CCNC[C@@H]1c1ccncc1 ZINC000576219278 532728034 /nfs/dbraw/zinc/72/80/34/532728034.db2.gz MVJGWCIDBRLPPO-OAHLLOKOSA-N 1 0 376.254 2.396 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C1CC1 ZINC000539273251 532728361 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CS[C@H]1CN(CC(=O)Nc2nnc(-c3sccc3C)o2)C[C@@H]1[NH+](C)C ZINC000539492239 532732398 /nfs/dbraw/zinc/73/23/98/532732398.db2.gz MFKSQZRAFHNSFC-RYUDHWBXSA-N 1 0 381.527 2.022 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H]1C ZINC000408436819 532719366 /nfs/dbraw/zinc/71/93/66/532719366.db2.gz JUUKPUKCDOPGGP-YPMHNXCESA-N 1 0 385.306 2.484 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCSCC(F)(F)F)CC1 ZINC000538809754 532719701 /nfs/dbraw/zinc/71/97/01/532719701.db2.gz FRAWUTSZXHINHB-AWEZNQCLSA-N 1 0 382.496 2.093 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000579711699 532743162 /nfs/dbraw/zinc/74/31/62/532743162.db2.gz ISMTYEKQFOCOHA-BFHYXJOUSA-N 1 0 394.313 2.436 20 0 GEADRO CSc1nc2ncnc(N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c2s1 ZINC000301189283 532743649 /nfs/dbraw/zinc/74/36/49/532743649.db2.gz LJNHWFPAXFWWIG-CYBMUJFWSA-N 1 0 378.571 2.415 20 0 GEADRO NS(=O)(=O)c1ccc(N2CC[NH+](C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000301203906 532745004 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CC1CC[NH+](C[C@H]2CCCN(c3cnn(C)c(=O)c3Br)C2)CC1 ZINC000301272796 532747196 /nfs/dbraw/zinc/74/71/96/532747196.db2.gz YMMKAGKCHQLWPU-CQSZACIVSA-N 1 0 383.334 2.491 20 0 GEADRO O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1cccc(Br)c1 ZINC000540902917 532747439 /nfs/dbraw/zinc/74/74/39/532747439.db2.gz QMFFQPQCOUIPNI-GJZGRUSLSA-N 1 0 395.301 2.314 20 0 GEADRO CC(C)(CO)[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000673896280 532734304 /nfs/dbraw/zinc/73/43/04/532734304.db2.gz SWGMLICTDUGBDV-UHFFFAOYSA-N 1 0 395.301 2.388 20 0 GEADRO C[N@H+](CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C1CC1 ZINC000299665668 532734455 /nfs/dbraw/zinc/73/44/55/532734455.db2.gz MMODJTIAYQYHCL-INIZCTEOSA-N 1 0 394.313 2.264 20 0 GEADRO CCN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@H](C)CS(=O)(=O)CC ZINC000500738992 532734671 /nfs/dbraw/zinc/73/46/71/532734671.db2.gz XPXKURGEUREEPF-MRXNPFEDSA-N 1 0 375.579 2.496 20 0 GEADRO CN1CCC[C@@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)[C@@H]1c1cccs1 ZINC000674031487 532735250 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GEADRO COCC(=O)N1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000582600893 532760986 /nfs/dbraw/zinc/76/09/86/532760986.db2.gz DDBWEQMMYLKODI-UHFFFAOYSA-N 1 0 398.301 2.005 20 0 GEADRO C[C@@](CO)([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccc(O)c1 ZINC000451040601 532761308 /nfs/dbraw/zinc/76/13/08/532761308.db2.gz RZVSJVLZEVMBDA-AEFFLSMTSA-N 1 0 396.281 2.392 20 0 GEADRO CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCO1 ZINC000541886870 532761787 /nfs/dbraw/zinc/76/17/87/532761787.db2.gz RDBJRKJWQMMKKA-GJZGRUSLSA-N 1 0 388.555 2.064 20 0 GEADRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)C[C@@H]2CCCCC2(F)F)CC1 ZINC000451227081 532763430 /nfs/dbraw/zinc/76/34/30/532763430.db2.gz KMWJXAOHMRFSBQ-HOCLYGCPSA-N 1 0 382.517 2.166 20 0 GEADRO Nc1nc(-n2cccn2)cc(NCCOc2ccc(Br)cc2)[nH+]1 ZINC000301969462 532762362 /nfs/dbraw/zinc/76/23/62/532762362.db2.gz BRUIWLGVXPRRSC-UHFFFAOYSA-N 1 0 375.230 2.498 20 0 GEADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000620476003 532762564 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Cn1ncc(NCC2(C[NH+]3CCOCC3)CCCCC2)c(Br)c1=O ZINC000301535168 532753590 /nfs/dbraw/zinc/75/35/90/532753590.db2.gz AHZIEFLMDJMGLY-UHFFFAOYSA-N 1 0 399.333 2.237 20 0 GEADRO C[C@H](CCNC(=O)CCn1cc(Br)ccc1=O)[NH+]1CCCCC1 ZINC000541523779 532753569 /nfs/dbraw/zinc/75/35/69/532753569.db2.gz YWDVHFBBKSXEGT-CQSZACIVSA-N 1 0 384.318 2.382 20 0 GEADRO COc1ccccc1[C@H](CNc1ncc(S(N)(=O)=O)s1)[NH+]1CCCC1 ZINC000301508916 532753816 /nfs/dbraw/zinc/75/38/16/532753816.db2.gz HUVXHUUYXJZTSG-ZDUSSCGKSA-N 1 0 382.511 2.048 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)CC[C@H]21 ZINC000269015933 532775193 /nfs/dbraw/zinc/77/51/93/532775193.db2.gz OLFXTNAZEHJDBK-IAQYHMDHSA-N 1 0 398.276 2.469 20 0 GEADRO CN(C)c1ncc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)cn1 ZINC000542691518 532776156 /nfs/dbraw/zinc/77/61/56/532776156.db2.gz WJAHUQWRLSQIJG-UHFFFAOYSA-N 1 0 378.274 2.424 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000269171528 532776812 /nfs/dbraw/zinc/77/68/12/532776812.db2.gz IWVYRNAUADJCBY-GUYCJALGSA-N 1 0 386.323 2.435 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000269175069 532776881 /nfs/dbraw/zinc/77/68/81/532776881.db2.gz BHWCWVPXKSDPDU-WBMJQRKESA-N 1 0 387.933 2.180 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000269241834 532777069 /nfs/dbraw/zinc/77/70/69/532777069.db2.gz XSWPZLIACCZMLJ-GFCCVEGCSA-N 1 0 387.933 2.146 20 0 GEADRO Cn1cnc(S(=O)(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000310918694 532777226 /nfs/dbraw/zinc/77/72/26/532777226.db2.gz QTIGPANMAHMFFM-KRWDZBQOSA-N 1 0 382.917 2.264 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000269259085 532778614 /nfs/dbraw/zinc/77/86/14/532778614.db2.gz IORBURYFAHCWFM-CABCVRRESA-N 1 0 382.302 2.153 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000542760067 532778738 /nfs/dbraw/zinc/77/87/38/532778738.db2.gz JGWFOVZZEIZCHS-UHFFFAOYSA-N 1 0 386.411 2.481 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000313419294 532779546 /nfs/dbraw/zinc/77/95/46/532779546.db2.gz BIAWWUOUDWVISC-CYBMUJFWSA-N 1 0 379.320 2.500 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Br)cc1F)C2 ZINC000313964308 532779574 /nfs/dbraw/zinc/77/95/74/532779574.db2.gz JEQCBOSBDSJUEL-HZMBPMFUSA-N 1 0 377.279 2.338 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cn3ccc(Br)cc3n2)CCO1 ZINC000620979492 532764582 /nfs/dbraw/zinc/76/45/82/532764582.db2.gz WAPMCFJUGRLRER-AWEZNQCLSA-N 1 0 395.301 2.280 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)CCO1 ZINC000620971965 532764717 /nfs/dbraw/zinc/76/47/17/532764717.db2.gz UESVCERPRALQAC-ZBFHGGJFSA-N 1 0 397.313 2.494 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1Br ZINC000620967862 532764981 /nfs/dbraw/zinc/76/49/81/532764981.db2.gz WQJRECGIPAZQTN-GFCCVEGCSA-N 1 0 387.322 2.478 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)COc2ccccc2Br)CCO1 ZINC000620971625 532765180 /nfs/dbraw/zinc/76/51/80/532765180.db2.gz MGEHDHQWKNIZRF-CQSZACIVSA-N 1 0 385.302 2.397 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2ccc(Br)cc2O)CCO1 ZINC000620975587 532765188 /nfs/dbraw/zinc/76/51/88/532765188.db2.gz XXRORIWFCYRDDX-OAHLLOKOSA-N 1 0 385.302 2.266 20 0 GEADRO C[NH+]1CCN(Cc2cccc(C(=O)NCC(F)(F)Br)c2)CC1 ZINC000286743655 532765796 /nfs/dbraw/zinc/76/57/96/532765796.db2.gz OAGYZOPJKUEHBB-UHFFFAOYSA-N 1 0 376.245 2.152 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)C[NH+](C)C ZINC000411555254 532765965 /nfs/dbraw/zinc/76/59/65/532765965.db2.gz VKUZVNGRCZPHJI-GWCFXTLKSA-N 1 0 379.810 2.374 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)s1)c1ccsc1 ZINC000621110618 532766194 /nfs/dbraw/zinc/76/61/94/532766194.db2.gz GCZOBVBPKHLXTF-GFCCVEGCSA-N 1 0 387.552 2.270 20 0 GEADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000411553650 532766704 /nfs/dbraw/zinc/76/67/04/532766704.db2.gz DMAQLPYWYVIOAP-HOTGVXAUSA-N 1 0 385.555 2.317 20 0 GEADRO 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CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000269573350 532783286 /nfs/dbraw/zinc/78/32/86/532783286.db2.gz BOCDLECLUKTLMN-AWEZNQCLSA-N 1 0 380.432 2.389 20 0 GEADRO CNC(=O)NC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000412055509 532784303 /nfs/dbraw/zinc/78/43/03/532784303.db2.gz PLSWPMXCSHQDIT-GFCCVEGCSA-N 1 0 376.284 2.127 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000318047800 532784685 /nfs/dbraw/zinc/78/46/85/532784685.db2.gz ABELZASVPDDFRB-LLVKDONJSA-N 1 0 388.693 2.030 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000270386793 532796729 /nfs/dbraw/zinc/79/67/29/532796729.db2.gz QWKMXVRDSFQXJE-UHFFFAOYSA-N 1 0 385.302 2.133 20 0 GEADRO O=C(Cc1ccc(Br)c(F)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000269677320 532785722 /nfs/dbraw/zinc/78/57/22/532785722.db2.gz DGJKUYWQSRTPAP-UHFFFAOYSA-N 1 0 398.320 2.371 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1OC ZINC000319253760 532785835 /nfs/dbraw/zinc/78/58/35/532785835.db2.gz 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C[N@H+](CCCCNC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CC1 ZINC000457167987 532788359 /nfs/dbraw/zinc/78/83/59/532788359.db2.gz MTUJDWPLORNGNI-UHFFFAOYSA-N 1 0 396.285 2.384 20 0 GEADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000457358170 532790729 /nfs/dbraw/zinc/79/07/29/532790729.db2.gz MFUXLKLARMRZLU-DGCLKSJQSA-N 1 0 399.563 2.240 20 0 GEADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000457335216 532790943 /nfs/dbraw/zinc/79/09/43/532790943.db2.gz WQYBZKAVTZYSFV-INIZCTEOSA-N 1 0 381.318 2.145 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000287313861 532791267 /nfs/dbraw/zinc/79/12/67/532791267.db2.gz FCBOEUILSFKEJH-ZFWWWQNUSA-N 1 0 384.322 2.304 20 0 GEADRO CS[C@H]1CN(c2ncc(I)cn2)C[C@H]1[NH+]1CCCC1 ZINC000548691749 532793284 /nfs/dbraw/zinc/79/32/84/532793284.db2.gz OUWGZRIYRXNNJV-NEPJUHHUSA-N 1 0 390.294 2.097 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC(C)(C)c1ccccc1Br ZINC000270185489 532794955 /nfs/dbraw/zinc/79/49/55/532794955.db2.gz CBVCWLMJONKDMJ-CYBMUJFWSA-N 1 0 383.334 2.229 20 0 GEADRO O=C(Nc1cncc(Br)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000270360365 532795909 /nfs/dbraw/zinc/79/59/09/532795909.db2.gz RGYFJIIFCXNBHQ-HUUCEWRRSA-N 1 0 383.290 2.343 20 0 GEADRO CCOc1cc(C[NH2+]C[C@H]2CCCN2CCCO)cc(Br)c1O ZINC000459571757 532796520 /nfs/dbraw/zinc/79/65/20/532796520.db2.gz PMPTUYAAOZQKIJ-CQSZACIVSA-N 1 0 387.318 2.490 20 0 GEADRO COc1cc(C)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c(C)n1 ZINC000514235275 532780400 /nfs/dbraw/zinc/78/04/00/532780400.db2.gz ZUXDAVXIBXQSJS-UHFFFAOYSA-N 1 0 389.930 2.490 20 0 GEADRO O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000514229794 532780466 /nfs/dbraw/zinc/78/04/66/532780466.db2.gz UHTVCPPQNDGDLT-INIZCTEOSA-N 1 0 389.249 2.368 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)cn1 ZINC000459696766 532796980 /nfs/dbraw/zinc/79/69/80/532796980.db2.gz JYQSWRFUSWQFOZ-CYBMUJFWSA-N 1 0 397.292 2.385 20 0 GEADRO CSC1(CNC(=O)Nc2ccc(C)cc2S(C)(=O)=O)CC[NH+](C)CC1 ZINC000455991578 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2.188 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000271525540 532807831 /nfs/dbraw/zinc/80/78/31/532807831.db2.gz PZGCOPWYSGEAIG-INIZCTEOSA-N 1 0 385.961 2.176 20 0 GEADRO O=S1(=O)CCCN1CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000271535101 532808224 /nfs/dbraw/zinc/80/82/24/532808224.db2.gz XLJWZGDVTWASBD-UHFFFAOYSA-N 1 0 389.924 2.069 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC2CC[NH+](C)CC2)c1 ZINC000413251783 532808774 /nfs/dbraw/zinc/80/87/74/532808774.db2.gz QUNNRRFYNUKDKJ-UHFFFAOYSA-N 1 0 387.933 2.275 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCN(c3nccs3)CC2)s1 ZINC000271548177 532808830 /nfs/dbraw/zinc/80/88/30/532808830.db2.gz UMQDNFBUKUBPTF-UHFFFAOYSA-N 1 0 386.568 2.050 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)ccc1S(=O)(=O)C(F)F ZINC000271563683 532809143 /nfs/dbraw/zinc/80/91/43/532809143.db2.gz YCPJNRVRRCHERW-LYSPQLLHSA-N 1 0 383.482 2.499 20 0 GEADRO Cc1cc(C)c(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)s1 ZINC000555722237 532809432 /nfs/dbraw/zinc/80/94/32/532809432.db2.gz HZWILGQSEIZWCM-UHFFFAOYSA-N 1 0 376.544 2.259 20 0 GEADRO CCS(=O)(=O)CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000413332160 532809734 /nfs/dbraw/zinc/80/97/34/532809734.db2.gz QAKNPHXFLMPYKZ-GDBMZVCRSA-N 1 0 387.571 2.255 20 0 GEADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287799726 532809957 /nfs/dbraw/zinc/80/99/57/532809957.db2.gz UBIHWMXCYGTCSO-HIFRSBDPSA-N 1 0 378.416 2.426 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000413314368 532810098 /nfs/dbraw/zinc/81/00/98/532810098.db2.gz MQUCVKYNXVMWMZ-DOMZBBRYSA-N 1 0 387.933 2.416 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c(Br)n1 ZINC000271606259 532810450 /nfs/dbraw/zinc/81/04/50/532810450.db2.gz YZVOCLGBLFHNHL-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000328750457 532797041 /nfs/dbraw/zinc/79/70/41/532797041.db2.gz BZSCZWDMASNNRB-CYBMUJFWSA-N 1 0 377.432 2.453 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCc1ccc(Cl)cc1)c1cccs1 ZINC000550004510 532797389 /nfs/dbraw/zinc/79/73/89/532797389.db2.gz XCUYSAYGHMLTJE-OAHLLOKOSA-N 1 0 379.913 2.479 20 0 GEADRO NC(=O)c1ncc(Br)cc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328826619 532798686 /nfs/dbraw/zinc/79/86/86/532798686.db2.gz SVGPOBDWBCUXSI-GFCCVEGCSA-N 1 0 383.290 2.276 20 0 GEADRO O=C(NCCc1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551139989 532799278 /nfs/dbraw/zinc/79/92/78/532799278.db2.gz KCEXAQMNWPPWEE-HZPDHXFCSA-N 1 0 384.307 2.395 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000461034041 532799289 /nfs/dbraw/zinc/79/92/89/532799289.db2.gz MOTGMLUIVNAFQC-LLVKDONJSA-N 1 0 396.340 2.117 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CCCCC1 ZINC000270646719 532799801 /nfs/dbraw/zinc/79/98/01/532799801.db2.gz ZPZCKCCTAOIECK-UHFFFAOYSA-N 1 0 391.896 2.121 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000551559031 532800311 /nfs/dbraw/zinc/80/03/11/532800311.db2.gz SNBOKDLJYSUDIF-OAHLLOKOSA-N 1 0 385.302 2.124 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000462199638 532800953 /nfs/dbraw/zinc/80/09/53/532800953.db2.gz NGRWGJLXCIBMIM-BMIGLBTASA-N 1 0 381.270 2.448 20 0 GEADRO COC(=O)c1cn(CC[NH2+][C@@H]2CCCc3cc(Br)ccc32)nn1 ZINC000551573437 532801088 /nfs/dbraw/zinc/80/10/88/532801088.db2.gz RGLHJABJIOFSPW-CQSZACIVSA-N 1 0 379.258 2.494 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)CCO2 ZINC000271953447 532812717 /nfs/dbraw/zinc/81/27/17/532812717.db2.gz DTHAWJCFAJYTHB-ZFWWWQNUSA-N 1 0 379.400 2.411 20 0 GEADRO CC(C)n1ncc2cc(S(=O)(=O)NC[C@@]3([NH+](C)C)CCSC3)ccc21 ZINC000556672345 532811592 /nfs/dbraw/zinc/81/15/92/532811592.db2.gz NKXMBJMBWBRILQ-KRWDZBQOSA-N 1 0 382.555 2.333 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N3CCC(CC[NH+](C)C)CC3)cnc2c1Cl ZINC000329789280 532811627 /nfs/dbraw/zinc/81/16/27/532811627.db2.gz SJEGFKIXYXWKKD-UHFFFAOYSA-N 1 0 385.921 2.044 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000556664889 532811757 /nfs/dbraw/zinc/81/17/57/532811757.db2.gz YMGKRJPBSNYQHE-OAHLLOKOSA-N 1 0 384.933 2.487 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(Br)c1 ZINC000272382179 532814781 /nfs/dbraw/zinc/81/47/81/532814781.db2.gz WNCYEHAGQFIXNG-IUODEOHRSA-N 1 0 380.286 2.249 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413799841 532814900 /nfs/dbraw/zinc/81/49/00/532814900.db2.gz OVXSXHCNNYQSBJ-DZGCQCFKSA-N 1 0 385.302 2.179 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000330163879 532815102 /nfs/dbraw/zinc/81/51/02/532815102.db2.gz SUSACXWSACBAGZ-ZBEGNZNMSA-N 1 0 375.897 2.228 20 0 GEADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000330171556 532815489 /nfs/dbraw/zinc/81/54/89/532815489.db2.gz FOCSAZJYPWSLJR-ZBFHGGJFSA-N 1 0 386.587 2.324 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1c(Cl)ccnc1Cl ZINC000272269582 532814313 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GEADRO C[C@H](CNS(=O)(=O)c1csc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000330303556 532816955 /nfs/dbraw/zinc/81/69/55/532816955.db2.gz PIXORJZEOBZRNQ-GFCCVEGCSA-N 1 0 387.958 2.469 20 0 GEADRO O=S(=O)(CCCCF)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000288086432 532817161 /nfs/dbraw/zinc/81/71/61/532817161.db2.gz KEPIBRDPANNCCH-UHFFFAOYSA-N 1 0 376.469 2.338 20 0 GEADRO COC(=O)c1cnc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)s1 ZINC000414100812 532819131 /nfs/dbraw/zinc/81/91/31/532819131.db2.gz BEFSEQRLXWJYJS-GFCCVEGCSA-N 1 0 389.543 2.031 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc([S@](C)=O)cc1 ZINC000272926425 532819524 /nfs/dbraw/zinc/81/95/24/532819524.db2.gz JMYNJEIIWNHBFT-VWUJSKNHSA-N 1 0 381.519 2.212 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000288200063 532820665 /nfs/dbraw/zinc/82/06/65/532820665.db2.gz PKPKJRMLUSJXIX-DOMZBBRYSA-N 1 0 380.286 2.473 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)s1 ZINC000414265635 532821124 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O=C(Nc1ccccc1I)N[C@H]1C[NH2+]CCC1(F)F ZINC000414654279 532834242 /nfs/dbraw/zinc/83/42/42/532834242.db2.gz BUBYPSIGZIBYRI-JTQLQIEISA-N 1 0 381.164 2.410 20 0 GEADRO CC(C)(C)[NH2+]CCN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000414734199 532834425 /nfs/dbraw/zinc/83/44/25/532834425.db2.gz BODIXKLHUOYMHL-UHFFFAOYSA-N 1 0 379.979 2.486 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1Br ZINC000331163163 532834596 /nfs/dbraw/zinc/83/45/96/532834596.db2.gz FWULRTCOCWNQBS-UONOGXRCSA-N 1 0 391.331 2.278 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1Br ZINC000331163161 532834859 /nfs/dbraw/zinc/83/48/59/532834859.db2.gz FWULRTCOCWNQBS-KBPBESRZSA-N 1 0 391.331 2.278 20 0 GEADRO COc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)sc1Br ZINC000288611871 532833030 /nfs/dbraw/zinc/83/30/30/532833030.db2.gz UWVDILJGGDMESP-SNVBAGLBSA-N 1 0 377.304 2.096 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1Br ZINC000331127977 532833641 /nfs/dbraw/zinc/83/36/41/532833641.db2.gz ZSHAHGOTUDWELQ-CQSZACIVSA-N 1 0 375.336 2.463 20 0 GEADRO COc1cc(CNC[C@@H]([NH3+])C2CC2)cc(I)c1OC ZINC000414893579 532835731 /nfs/dbraw/zinc/83/57/31/532835731.db2.gz RPZCGVFPCZVYIX-GFCCVEGCSA-N 1 0 376.238 2.135 20 0 GEADRO COc1cc(CN[C@@H]2C[NH2+]CC[C@@H]2C)cc(I)c1OC ZINC000414928665 532835928 /nfs/dbraw/zinc/83/59/28/532835928.db2.gz NDPFPIQFZAOBLB-GXFFZTMASA-N 1 0 390.265 2.396 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414933112 532836037 /nfs/dbraw/zinc/83/60/37/532836037.db2.gz TZCIONVQKCAWGW-STQMWFEESA-N 1 0 397.317 2.487 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414926349 532836075 /nfs/dbraw/zinc/83/60/75/532836075.db2.gz KAAOWYBHJKURAN-ZDUSSCGKSA-N 1 0 383.290 2.111 20 0 GEADRO CCOc1cc(Br)c(NC(=O)N(C)C[C@H](O)C[NH3+])cc1OCC ZINC000415017380 532836478 /nfs/dbraw/zinc/83/64/78/532836478.db2.gz PYTMWVTUHFISFW-SNVBAGLBSA-N 1 0 390.278 2.030 20 0 GEADRO COc1cc(CNCC2([NH3+])CCC2)cc(I)c1OC ZINC000414871611 532835084 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ZINC000331295403 532837385 /nfs/dbraw/zinc/83/73/85/532837385.db2.gz NGAVSIJCZQUMHC-JQWIXIFHSA-N 1 0 388.331 2.288 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000415079175 532837460 /nfs/dbraw/zinc/83/74/60/532837460.db2.gz WNJKCWFFJQFOSP-CABZTGNLSA-N 1 0 389.237 2.419 20 0 GEADRO CS[C@H](C)c1nc(-c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)no1 ZINC000273948580 532837877 /nfs/dbraw/zinc/83/78/77/532837877.db2.gz NVGRSKQDEPSUNI-GFCCVEGCSA-N 1 0 384.527 2.391 20 0 GEADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCSC[C@H]2c2nccs2)cc1 ZINC000415159451 532838541 /nfs/dbraw/zinc/83/85/41/532838541.db2.gz JHYUUIFWVSZSJA-AWEZNQCLSA-N 1 0 376.507 2.118 20 0 GEADRO Ic1cncc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000273985693 532838677 /nfs/dbraw/zinc/83/86/77/532838677.db2.gz MMZOFIYICQKYEX-NEPJUHHUSA-N 1 0 398.204 2.272 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCS1 ZINC000415174938 532839055 /nfs/dbraw/zinc/83/90/55/532839055.db2.gz BPIWHQYEDAKFLW-JTQLQIEISA-N 1 0 375.416 2.457 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000415204733 532839300 /nfs/dbraw/zinc/83/93/00/532839300.db2.gz XTTMEKKKBGPOSV-GRYCIOLGSA-N 1 0 386.905 2.221 20 0 GEADRO O=C(Nc1nc2ccsc2s1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000415195232 532839386 /nfs/dbraw/zinc/83/93/86/532839386.db2.gz OIEFPTPDFMILJO-MFKMUULPSA-N 1 0 379.511 2.126 20 0 GEADRO O=C(Nc1c(F)cc(Br)cc1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415213573 532839429 /nfs/dbraw/zinc/83/94/29/532839429.db2.gz NYQFGIYJBJDXCX-NSHDSACASA-N 1 0 389.244 2.239 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NC2CC[NH2+]CC2)c1 ZINC000415267378 532839923 /nfs/dbraw/zinc/83/99/23/532839923.db2.gz ISXPWADCFXMAHL-UHFFFAOYSA-N 1 0 375.416 2.456 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415263108 532840008 /nfs/dbraw/zinc/84/00/08/532840008.db2.gz AOHRDRLAIXKEQR-ZETCQYMHSA-N 1 0 378.629 2.130 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000359960767 212126952 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392.496 2.182 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3(C4CC4)CCOCC3)c2)C1 ZINC000359865546 212120134 /nfs/dbraw/zinc/12/01/34/212120134.db2.gz GNKLAMODKCTBEI-IBGZPJMESA-N 1 0 399.535 2.207 20 0 GEADRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(Nc3cccc(C)n3)CC2)CC1 ZINC000359874258 212119876 /nfs/dbraw/zinc/11/98/76/212119876.db2.gz MSCYGWOLKOUIND-MRXNPFEDSA-N 1 0 388.512 2.066 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccc(C(=O)N(C)C)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000328633414 212086786 /nfs/dbraw/zinc/08/67/86/212086786.db2.gz LYQDGNASMPFNBS-OXJNMPFZSA-N 1 0 386.544 2.355 20 0 GEADRO COCCn1cc([C@H]2[C@H](C[NH2+]Cc3cncs3)CC(=O)N2C(C)(C)C)cn1 ZINC000328603730 212084241 /nfs/dbraw/zinc/08/42/41/212084241.db2.gz HABHSCLWHAFGPC-KBXCAEBGSA-N 1 0 391.541 2.464 20 0 GEADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000274042528 532840261 /nfs/dbraw/zinc/84/02/61/532840261.db2.gz XWJJYBMOGJFBKX-UHFFFAOYSA-N 1 0 381.242 2.268 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCCC[NH+]3CCC(C)CC3)cnc2c1Cl 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GEADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415310406 532841200 /nfs/dbraw/zinc/84/12/00/532841200.db2.gz WBQHTBCSEDLJPI-UHFFFAOYSA-N 1 0 398.179 2.012 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415305303 532841373 /nfs/dbraw/zinc/84/13/73/532841373.db2.gz IYRUMYPQZVYBBG-UHFFFAOYSA-N 1 0 398.179 2.012 20 0 GEADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415309967 532841434 /nfs/dbraw/zinc/84/14/34/532841434.db2.gz UYMLXZGYHYRHIL-UHFFFAOYSA-N 1 0 383.073 2.420 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415336066 532841769 /nfs/dbraw/zinc/84/17/69/532841769.db2.gz RSGJSTVRSZIXIC-SECBINFHSA-N 1 0 379.766 2.293 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000331599056 532841841 /nfs/dbraw/zinc/84/18/41/532841841.db2.gz QLCGTQLPQHHGNT-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC1 ZINC000415350948 532842125 /nfs/dbraw/zinc/84/21/25/532842125.db2.gz IMLFRCYNBFMYOS-UHFFFAOYSA-N 1 0 391.269 2.322 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000415352106 532842271 /nfs/dbraw/zinc/84/22/71/532842271.db2.gz OZHOIERNPQALSP-RKDXNWHRSA-N 1 0 390.228 2.170 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000415352558 532842254 /nfs/dbraw/zinc/84/22/54/532842254.db2.gz PMAWKIFTBRDNGV-NXEZZACHSA-N 1 0 375.803 2.384 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000415346889 532842340 /nfs/dbraw/zinc/84/23/40/532842340.db2.gz CMBMMRIJOCEEKK-SMDDNHRTSA-N 1 0 394.313 2.381 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415355615 532842606 /nfs/dbraw/zinc/84/26/06/532842606.db2.gz DMHCMBLGRAYVQW-QMMMGPOBSA-N 1 0 392.681 2.293 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)Nc1cccc(F)c1I ZINC000415357316 532842675 /nfs/dbraw/zinc/84/26/75/532842675.db2.gz IUAPPLHZWUCUQN-UHFFFAOYSA-N 1 0 375.185 2.472 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1F ZINC000415357922 532842684 /nfs/dbraw/zinc/84/26/84/532842684.db2.gz QDKIDVQIQMSDDJ-GHMZBOCLSA-N 1 0 386.265 2.339 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415359534 532842746 /nfs/dbraw/zinc/84/27/46/532842746.db2.gz YPTZNZCJKOXDLH-QWRGUYRKSA-N 1 0 386.265 2.339 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415359477 532842715 /nfs/dbraw/zinc/84/27/15/532842715.db2.gz YPTZNZCJKOXDLH-MNOVXSKESA-N 1 0 386.265 2.339 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000415375088 532843136 /nfs/dbraw/zinc/84/31/36/532843136.db2.gz DSVDOPQUIWQYBM-MRVPVSSYSA-N 1 0 390.228 2.252 20 0 GEADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415386260 532843690 /nfs/dbraw/zinc/84/36/90/532843690.db2.gz WQZHPESHCHNEFJ-UHFFFAOYSA-N 1 0 382.180 2.260 20 0 GEADRO Cc1scc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)c1C ZINC000274196875 532843826 /nfs/dbraw/zinc/84/38/26/532843826.db2.gz GBRJUXGPWFNIJI-UHFFFAOYSA-N 1 0 381.523 2.457 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000288989237 532843845 /nfs/dbraw/zinc/84/38/45/532843845.db2.gz RWHUBLVZCCTFNK-DOMZBBRYSA-N 1 0 394.313 2.149 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)c1Br ZINC000415392564 532843868 /nfs/dbraw/zinc/84/38/68/532843868.db2.gz JPOJYPFTZUXOSA-SNVBAGLBSA-N 1 0 388.693 2.465 20 0 GEADRO C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1=O ZINC000331739651 532844030 /nfs/dbraw/zinc/84/40/30/532844030.db2.gz FEKGRIZNYQBDPB-ZJUUUORDSA-N 1 0 376.404 2.282 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415394331 532844124 /nfs/dbraw/zinc/84/41/24/532844124.db2.gz MFWNTDCRTHPGFU-LLVKDONJSA-N 1 0 378.885 2.470 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000289010668 532844219 /nfs/dbraw/zinc/84/42/19/532844219.db2.gz KIYUCZAPWRJBQN-LRDDRELGSA-N 1 0 394.313 2.006 20 0 GEADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000289010685 532844372 /nfs/dbraw/zinc/84/43/72/532844372.db2.gz KIYUCZAPWRJBQN-WBMJQRKESA-N 1 0 394.313 2.006 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000415402188 532844437 /nfs/dbraw/zinc/84/44/37/532844437.db2.gz QLANPEHERQZBMW-UHFFFAOYSA-N 1 0 388.693 2.499 20 0 GEADRO O=C(Nc1ccccc1Br)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331768738 532844570 /nfs/dbraw/zinc/84/45/70/532844570.db2.gz DKOQDUKRBGTZSI-ZDUSSCGKSA-N 1 0 395.301 2.125 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415431595 532844775 /nfs/dbraw/zinc/84/47/75/532844775.db2.gz SOAOVONRRBMVHD-LLVKDONJSA-N 1 0 386.290 2.194 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415423308 532844898 /nfs/dbraw/zinc/84/48/98/532844898.db2.gz YEGCOTBQUVCZOE-ZETCQYMHSA-N 1 0 382.180 2.212 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000331825788 532844990 /nfs/dbraw/zinc/84/49/90/532844990.db2.gz DBKOZKGQLMSTKI-WDEREUQCSA-N 1 0 379.262 2.244 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000331830224 532845226 /nfs/dbraw/zinc/84/52/26/532845226.db2.gz DQLMBPRZQBLQHL-HNNXBMFYSA-N 1 0 398.276 2.201 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000415442072 532845805 /nfs/dbraw/zinc/84/58/05/532845805.db2.gz BBONVBWLVYUESP-CQSZACIVSA-N 1 0 384.274 2.028 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC[C@@H]1[NH3+] ZINC000415450797 532845812 /nfs/dbraw/zinc/84/58/12/532845812.db2.gz KIBPCNUDJPZBLO-ONGXEEELSA-N 1 0 375.416 2.317 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)nc12 ZINC000274242789 532846188 /nfs/dbraw/zinc/84/61/88/532846188.db2.gz RMWTWFDYNNXMHU-HNNXBMFYSA-N 1 0 392.301 2.395 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415460822 532846217 /nfs/dbraw/zinc/84/62/17/532846217.db2.gz AYVNWYQUOQNXOV-UHFFFAOYSA-N 1 0 393.079 2.004 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000289065409 532846409 /nfs/dbraw/zinc/84/64/09/532846409.db2.gz MLWDNTQALLVPTP-AAEUAGOBSA-N 1 0 383.290 2.238 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415456978 532846472 /nfs/dbraw/zinc/84/64/72/532846472.db2.gz XCGLVGNJOLMWFX-UHFFFAOYSA-N 1 0 380.286 2.378 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415480918 532846893 /nfs/dbraw/zinc/84/68/93/532846893.db2.gz AFZQADBSEDRQJV-NSHDSACASA-N 1 0 391.269 2.146 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c2ccccc12)C1CC1 ZINC000415458153 532846379 /nfs/dbraw/zinc/84/63/79/532846379.db2.gz ULONLTNKEFFWPO-OAHLLOKOSA-N 1 0 376.254 2.394 20 0 GEADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1Br ZINC000331987859 532847311 /nfs/dbraw/zinc/84/73/11/532847311.db2.gz DLLHRFPAXVCZPH-TZMCWYRMSA-N 1 0 380.286 2.249 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415487628 532847356 /nfs/dbraw/zinc/84/73/56/532847356.db2.gz NHMIPFJEOCWOQG-UHFFFAOYSA-N 1 0 386.290 2.230 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415492169 532847451 /nfs/dbraw/zinc/84/74/51/532847451.db2.gz LBDKRLRAWJBNSM-SNVBAGLBSA-N 1 0 379.766 2.388 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415489500 532847566 /nfs/dbraw/zinc/84/75/66/532847566.db2.gz XDMCXYONIOKJIL-UHFFFAOYSA-N 1 0 386.290 2.230 20 0 GEADRO C[NH2+]CCCNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415495264 532847234 /nfs/dbraw/zinc/84/72/34/532847234.db2.gz FDIBZMBBTGLSPG-UHFFFAOYSA-N 1 0 388.266 2.838 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415494572 532847248 /nfs/dbraw/zinc/84/72/48/532847248.db2.gz DHQJVBNOBSTCJB-KWQFWETISA-N 1 0 382.287 2.921 20 0 GEADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)N[C@@H]1CCC[NH2+]C1 ZINC000415502818 532848089 /nfs/dbraw/zinc/84/80/89/532848089.db2.gz QQQIFEKIWPTNDV-LLVKDONJSA-N 1 0 382.287 2.841 20 0 GEADRO CC(C)([NH3+])CNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415503336 532848000 /nfs/dbraw/zinc/84/80/00/532848000.db2.gz RLAKXWZAKOBOJF-UHFFFAOYSA-N 1 0 388.266 2.966 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415497108 532848027 /nfs/dbraw/zinc/84/80/27/532848027.db2.gz YZIPEWUXULOOGP-LBPRGKRZSA-N 1 0 392.244 2.498 20 0 GEADRO CO[C@@H]1CCN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)[C@@H](C[NH3+])C1 ZINC000415498034 532848029 /nfs/dbraw/zinc/84/80/29/532848029.db2.gz IXMVXVMFHZBWSB-CHWSQXEVSA-N 1 0 381.889 2.829 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC([NH3+])(CC)CC)cc1Br ZINC000415505419 532848394 /nfs/dbraw/zinc/84/83/94/532848394.db2.gz ZZZGXTGSWYLRCL-UHFFFAOYSA-N 1 0 386.290 2.420 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000415514528 532848425 /nfs/dbraw/zinc/84/84/25/532848425.db2.gz ZTWNVEWBQXTNIE-MRVPVSSYSA-N 1 0 392.681 2.151 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415529465 532848702 /nfs/dbraw/zinc/84/87/02/532848702.db2.gz STIXMZIAUFBTAI-WDEREUQCSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C[C@H]1[NH3+] ZINC000332095106 532848798 /nfs/dbraw/zinc/84/87/98/532848798.db2.gz AAIMRXZCWSAVTN-MEDUHNTESA-N 1 0 382.291 2.415 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)C1CC1 ZINC000415531857 532848865 /nfs/dbraw/zinc/84/88/65/532848865.db2.gz FGPAIKYACBIOKN-JTQLQIEISA-N 1 0 377.844 2.489 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000415541833 532849248 /nfs/dbraw/zinc/84/92/48/532849248.db2.gz OPGXTXMONDNMCU-ONXXMXGDSA-N 1 0 380.286 2.437 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415535903 532849397 /nfs/dbraw/zinc/84/93/97/532849397.db2.gz DRBCCCZNCNZXRD-FOSCPWQOSA-N 1 0 396.285 2.138 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000415543744 532849405 /nfs/dbraw/zinc/84/94/05/532849405.db2.gz SDUYPDURFVMDBD-CQSZACIVSA-N 1 0 395.301 2.082 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415547671 532849425 /nfs/dbraw/zinc/84/94/25/532849425.db2.gz ZPNDBCLVFYZBGD-NNQSOWQGSA-N 1 0 380.286 2.437 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC000415553801 532849776 /nfs/dbraw/zinc/84/97/76/532849776.db2.gz OUHRKSLBGCRMJB-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)[C@H](C)C[NH2+]1 ZINC000415552400 532849889 /nfs/dbraw/zinc/84/98/89/532849889.db2.gz FPFUZWRTPQEUQP-HTQZYQBOSA-N 1 0 392.656 2.389 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415555547 532849941 /nfs/dbraw/zinc/84/99/41/532849941.db2.gz QZYKWBPVUZLURA-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1Br ZINC000415554877 532850064 /nfs/dbraw/zinc/85/00/64/532850064.db2.gz TVYHWXQYBXWLDZ-UHFFFAOYSA-N 1 0 398.276 2.437 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274423612 532850212 /nfs/dbraw/zinc/85/02/12/532850212.db2.gz GVISVTAHVPMMIG-JTQLQIEISA-N 1 0 390.713 2.255 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415562834 532850484 /nfs/dbraw/zinc/85/04/84/532850484.db2.gz AJXYVDPGGQYZRA-UHFFFAOYSA-N 1 0 383.283 2.206 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415569456 532850556 /nfs/dbraw/zinc/85/05/56/532850556.db2.gz KMEMFQKSYKGQEB-QGZVFWFLSA-N 1 0 398.301 2.211 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000332258883 532850692 /nfs/dbraw/zinc/85/06/92/532850692.db2.gz NLESNNHQGNJPMA-CQSZACIVSA-N 1 0 392.290 2.105 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415564583 532850390 /nfs/dbraw/zinc/85/03/90/532850390.db2.gz CIXNQFRPNPMOFI-LBPRGKRZSA-N 1 0 385.281 2.408 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415561108 532850405 /nfs/dbraw/zinc/85/04/05/532850405.db2.gz GGALLICZNSCSNY-RYUDHWBXSA-N 1 0 398.301 2.371 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000415576859 532850839 /nfs/dbraw/zinc/85/08/39/532850839.db2.gz YMPGABVNLSVHLP-NEPJUHHUSA-N 1 0 398.301 2.384 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000332250462 532850847 /nfs/dbraw/zinc/85/08/47/532850847.db2.gz BQQARZQFPCLKEL-ABAIWWIYSA-N 1 0 382.302 2.442 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415572631 532850962 /nfs/dbraw/zinc/85/09/62/532850962.db2.gz OSQBJLXPYFWENY-MRXNPFEDSA-N 1 0 386.265 2.341 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415573745 532850974 /nfs/dbraw/zinc/85/09/74/532850974.db2.gz ODNBDDWVRDIVPX-CMPLNLGQSA-N 1 0 391.269 2.132 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415577239 532851012 /nfs/dbraw/zinc/85/10/12/532851012.db2.gz YXSNGVXPKVWRMR-NWDGAFQWSA-N 1 0 398.301 2.384 20 0 GEADRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[NH2+]C2)cc(Br)c1F ZINC000415616579 532851386 /nfs/dbraw/zinc/85/13/86/532851386.db2.gz UENQFMBLTIBLCR-VIFPVBQESA-N 1 0 388.237 2.496 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415617371 532851186 /nfs/dbraw/zinc/85/11/86/532851186.db2.gz FITHFACXFMPYFX-QMTHXVAHSA-N 1 0 391.269 2.050 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415620800 532851220 /nfs/dbraw/zinc/85/12/20/532851220.db2.gz VHJAFWMSNJJZDY-HZMBPMFUSA-N 1 0 391.269 2.050 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)nc12 ZINC000332281890 532851544 /nfs/dbraw/zinc/85/15/44/532851544.db2.gz IFDLFAZXAKAOSA-FZMZJTMJSA-N 1 0 380.290 2.284 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415638365 532851570 /nfs/dbraw/zinc/85/15/70/532851570.db2.gz BIMAACXLVSMXRD-DTWKUNHWSA-N 1 0 376.201 2.052 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415645400 532851626 /nfs/dbraw/zinc/85/16/26/532851626.db2.gz LPGQFXAYCSWLCB-NWDGAFQWSA-N 1 0 391.269 2.322 20 0 GEADRO COCCOCCOCCC[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000274474933 532851385 /nfs/dbraw/zinc/85/13/85/532851385.db2.gz ZUYPPOVMVYAZEZ-UHFFFAOYSA-N 1 0 392.290 2.323 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)nc12 ZINC000332281896 532851408 /nfs/dbraw/zinc/85/14/08/532851408.db2.gz IFDLFAZXAKAOSA-SMDDNHRTSA-N 1 0 380.290 2.284 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415615131 532851433 /nfs/dbraw/zinc/85/14/33/532851433.db2.gz OFVPCLZTVCCWOZ-SKDRFNHKSA-N 1 0 375.803 2.037 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000415613704 532851438 /nfs/dbraw/zinc/85/14/38/532851438.db2.gz MIBRGLZWAXNKHK-GXFFZTMASA-N 1 0 382.789 2.285 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415608993 532851459 /nfs/dbraw/zinc/85/14/59/532851459.db2.gz GNZAADZOKAZZLN-BXKDBHETSA-N 1 0 375.803 2.037 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415650276 532852062 /nfs/dbraw/zinc/85/20/62/532852062.db2.gz PYXUESHAGUGMQR-MNOVXSKESA-N 1 0 375.803 2.309 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332343384 532852148 /nfs/dbraw/zinc/85/21/48/532852148.db2.gz SNYFFGXEJUIQEI-CHWSQXEVSA-N 1 0 380.286 2.072 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415645814 532852221 /nfs/dbraw/zinc/85/22/21/532852221.db2.gz LZFTZRJEXAKSMC-DTWKUNHWSA-N 1 0 388.251 2.105 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000415652720 532852264 /nfs/dbraw/zinc/85/22/64/532852264.db2.gz DYZJXBOCCHOWHM-SNVBAGLBSA-N 1 0 392.283 2.071 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000415656759 532852339 /nfs/dbraw/zinc/85/23/39/532852339.db2.gz LMXVJFJKNXJGPU-IAQYHMDHSA-N 1 0 398.301 2.289 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000332348724 532852431 /nfs/dbraw/zinc/85/24/31/532852431.db2.gz OIXHANRVSZOGSX-SGMGOOAPSA-N 1 0 380.286 2.282 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC[NH2+]1 ZINC000415662015 532852530 /nfs/dbraw/zinc/85/25/30/532852530.db2.gz PTGUYROATWXCJI-MFKMUULPSA-N 1 0 380.286 2.133 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415664212 532852646 /nfs/dbraw/zinc/85/26/46/532852646.db2.gz WUIMLBFCNXIUAQ-SNVBAGLBSA-N 1 0 395.223 2.493 20 0 GEADRO C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000415662739 532852784 /nfs/dbraw/zinc/85/27/84/532852784.db2.gz VQDHBSKUEHBEIA-VHSXEESVSA-N 1 0 384.267 2.201 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415663436 532852789 /nfs/dbraw/zinc/85/27/89/532852789.db2.gz SCCINSQBQPFCPC-HQJQHLMTSA-N 1 0 392.656 2.294 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415676564 532853072 /nfs/dbraw/zinc/85/30/72/532853072.db2.gz MMLIVSWWEYQJJH-GWCFXTLKSA-N 1 0 391.269 2.193 20 0 GEADRO CS(=O)(=O)c1cccc(Cl)c1CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332351855 532852959 /nfs/dbraw/zinc/85/29/59/532852959.db2.gz YMTDXMTXWWJINS-IRXDYDNUSA-N 1 0 386.945 2.211 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415667187 532852992 /nfs/dbraw/zinc/85/29/92/532852992.db2.gz XVSODFURSFWUSD-MWLCHTKSSA-N 1 0 375.803 2.037 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)CCCO1 ZINC000332362864 532853339 /nfs/dbraw/zinc/85/33/39/532853339.db2.gz UGJBEWVAHOHWQF-SNVBAGLBSA-N 1 0 393.200 2.012 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000415681673 532853459 /nfs/dbraw/zinc/85/34/59/532853459.db2.gz XFLSKIIPCGUSEI-CYBMUJFWSA-N 1 0 386.265 2.421 20 0 GEADRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(Br)c1 ZINC000332378663 532853518 /nfs/dbraw/zinc/85/35/18/532853518.db2.gz GXSJTXXWYXJTSM-MRXNPFEDSA-N 1 0 394.313 2.182 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415691554 532853591 /nfs/dbraw/zinc/85/35/91/532853591.db2.gz QFCIXZARPYBGDM-NSHDSACASA-N 1 0 386.265 2.423 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415667680 532853260 /nfs/dbraw/zinc/85/32/60/532853260.db2.gz YLJKETHEIZWQQM-PSASIEDQSA-N 1 0 379.766 2.291 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415698136 532853910 /nfs/dbraw/zinc/85/39/10/532853910.db2.gz XUCKUZTUFAVLDP-KRWDZBQOSA-N 1 0 391.269 2.133 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(Cl)c1 ZINC000332386052 532853949 /nfs/dbraw/zinc/85/39/49/532853949.db2.gz PWIGBAROMWVEMG-UHFFFAOYSA-N 1 0 385.917 2.078 20 0 GEADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289407240 532854104 /nfs/dbraw/zinc/85/41/04/532854104.db2.gz UJHDFLQCJGRQRC-HZPDHXFCSA-N 1 0 385.302 2.050 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000415694648 532854123 /nfs/dbraw/zinc/85/41/23/532854123.db2.gz VUAMKACWPOWSNI-SNVBAGLBSA-N 1 0 375.803 2.467 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415696347 532854128 /nfs/dbraw/zinc/85/41/28/532854128.db2.gz ZFYXKZJXTBAONH-LLVKDONJSA-N 1 0 395.301 2.247 20 0 GEADRO COCC1(CNC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CC[NH2+]CC1 ZINC000415713894 532854484 /nfs/dbraw/zinc/85/44/84/532854484.db2.gz WGYPDJBRONMDJX-UHFFFAOYSA-N 1 0 388.295 2.373 20 0 GEADRO COCC1(CNC(=O)C(=O)Nc2cc(Cl)ccc2SC)CC[NH2+]CC1 ZINC000415706720 532854186 /nfs/dbraw/zinc/85/41/86/532854186.db2.gz MVWUUSXJUKTUMH-UHFFFAOYSA-N 1 0 385.917 2.133 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415694586 532854255 /nfs/dbraw/zinc/85/42/55/532854255.db2.gz ZXDRBZMEPIGUFV-ZYHUDNBSSA-N 1 0 384.274 2.043 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1F ZINC000332388166 532854325 /nfs/dbraw/zinc/85/43/25/532854325.db2.gz WOEBLHLFDFDPQW-GVXVVHGQSA-N 1 0 398.276 2.421 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415721134 532854697 /nfs/dbraw/zinc/85/46/97/532854697.db2.gz IZQMGWMZPXXYBL-NSHDSACASA-N 1 0 386.246 2.103 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)NCC1([NH3+])CCC1 ZINC000415731370 532854949 /nfs/dbraw/zinc/85/49/49/532854949.db2.gz VJFIAFQPECYTRI-UHFFFAOYSA-N 1 0 386.246 2.247 20 0 GEADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415739508 532854994 /nfs/dbraw/zinc/85/49/94/532854994.db2.gz GDRRDNHTXGZOJQ-UWVGGRQHSA-N 1 0 375.778 2.365 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415744513 532855427 /nfs/dbraw/zinc/85/54/27/532855427.db2.gz LGDZWXJZTIMSQC-STQMWFEESA-N 1 0 380.286 2.018 20 0 GEADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415740399 532855470 /nfs/dbraw/zinc/85/54/70/532855470.db2.gz HAEHBSGFMHWOEE-ZJUUUORDSA-N 1 0 375.778 2.365 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415744512 532855539 /nfs/dbraw/zinc/85/55/39/532855539.db2.gz LGDZWXJZTIMSQC-QWHCGFSZSA-N 1 0 380.286 2.018 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000415744917 532855608 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ZINC000289670186 532862745 /nfs/dbraw/zinc/86/27/45/532862745.db2.gz DCXRYKAQRFNJPK-CQSZACIVSA-N 1 0 377.286 2.050 20 0 GEADRO O=C(N[C@H]1CC[S@@](=O)C1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000332943480 532862504 /nfs/dbraw/zinc/86/25/04/532862504.db2.gz NGTWANZXXFMTRN-OKXMYEFYSA-N 1 0 387.908 2.264 20 0 GEADRO Cc1nn(C)c(C)c1[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C(F)(F)F ZINC000416015013 532863050 /nfs/dbraw/zinc/86/30/50/532863050.db2.gz VVASYIWZROWDQW-WCBMZHEXSA-N 1 0 375.317 2.219 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000289696503 532863105 /nfs/dbraw/zinc/86/31/05/532863105.db2.gz KFTQXOQHEJXWCM-NSHDSACASA-N 1 0 376.320 2.309 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC000416013881 532863164 /nfs/dbraw/zinc/86/31/64/532863164.db2.gz UYACOBYBYWMHKQ-SNVBAGLBSA-N 1 0 377.754 2.469 20 0 GEADRO C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)c1nccs1 ZINC000289712926 532863847 /nfs/dbraw/zinc/86/38/47/532863847.db2.gz 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GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1ccc(I)s1 ZINC000417442058 532879979 /nfs/dbraw/zinc/87/99/79/532879979.db2.gz SKOXVALDTLCLBH-ONGXEEELSA-N 1 0 393.294 2.192 20 0 GEADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N[C@H]1CCC[NH2+]C1 ZINC000417260025 532879336 /nfs/dbraw/zinc/87/93/36/532879336.db2.gz IDSARHITCZIHOY-HIFRSBDPSA-N 1 0 381.318 2.327 20 0 GEADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N1CCC[NH2+]CC1 ZINC000417267518 532879393 /nfs/dbraw/zinc/87/93/93/532879393.db2.gz XVMPXVKCKOLTPY-AWEZNQCLSA-N 1 0 381.318 2.280 20 0 GEADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000417260024 532879494 /nfs/dbraw/zinc/87/94/94/532879494.db2.gz IDSARHITCZIHOY-DZGCQCFKSA-N 1 0 381.318 2.327 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417265074 532879499 /nfs/dbraw/zinc/87/94/99/532879499.db2.gz UACOKRNPLYDMFW-ZIAGYGMSSA-N 1 0 383.334 2.430 20 0 GEADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417263525 532879576 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[NH3+][C@H](CNC(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)C1CC1 ZINC000419875964 532883049 /nfs/dbraw/zinc/88/30/49/532883049.db2.gz WZIGCYTVSYPCIE-CABCVRRESA-N 1 0 398.276 2.105 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000419873996 532883114 /nfs/dbraw/zinc/88/31/14/532883114.db2.gz VOFPMLGUDBIGQJ-XJKSGUPXSA-N 1 0 375.519 2.137 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000419883356 532883181 /nfs/dbraw/zinc/88/31/81/532883181.db2.gz DCWVCSNHZBQPQW-AWEZNQCLSA-N 1 0 381.929 2.291 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419873288 532883249 /nfs/dbraw/zinc/88/32/49/532883249.db2.gz YXPDNZQWELBZJP-ICIURTGMSA-N 1 0 394.313 2.368 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420462121 532883551 /nfs/dbraw/zinc/88/35/51/532883551.db2.gz MQWYMTWMESQFPV-ZDUSSCGKSA-N 1 0 377.304 2.124 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420455281 532883716 /nfs/dbraw/zinc/88/37/16/532883716.db2.gz FCBXYHZUDPRCEP-PBFPGSCMSA-N 1 0 390.933 2.359 20 0 GEADRO Cc1c(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cnn1-c1ccc(Cl)cc1 ZINC000420459642 532883724 /nfs/dbraw/zinc/88/37/24/532883724.db2.gz KKJVXKBMNPNXQD-GFCCVEGCSA-N 1 0 378.832 2.095 20 0 GEADRO O=C(C[N@@H+](CCO)C1CCOCC1)Nc1ccc(Br)cc1F ZINC000275610663 532880060 /nfs/dbraw/zinc/88/00/60/532880060.db2.gz SMFDTNRGVIQBRP-UHFFFAOYSA-N 1 0 375.238 2.000 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417583638 532880245 /nfs/dbraw/zinc/88/02/45/532880245.db2.gz KZUHUCOZWQSMMY-HNNXBMFYSA-N 1 0 399.333 2.080 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000290433404 532880467 /nfs/dbraw/zinc/88/04/67/532880467.db2.gz PJYXOVILSBKGIY-GFCCVEGCSA-N 1 0 385.306 2.328 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418437314 532880597 /nfs/dbraw/zinc/88/05/97/532880597.db2.gz HXUJQTDPOVKASE-NSHDSACASA-N 1 0 378.336 2.388 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000418416401 532880754 /nfs/dbraw/zinc/88/07/54/532880754.db2.gz VMCQEHJTRHWJNS-HUUCEWRRSA-N 1 0 388.306 2.116 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000418448419 532881290 /nfs/dbraw/zinc/88/12/90/532881290.db2.gz RXDCCJAONJOPGZ-LSDHHAIUSA-N 1 0 397.317 2.005 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@@]1(C)C[NH3+] ZINC000420458091 532883871 /nfs/dbraw/zinc/88/38/71/532883871.db2.gz JOYHDWBFSLLRNJ-IAQYHMDHSA-N 1 0 390.347 2.121 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000418930740 532881469 /nfs/dbraw/zinc/88/14/69/532881469.db2.gz GCMUMLFBHGVEGV-MRXNPFEDSA-N 1 0 394.313 2.356 20 0 GEADRO C[N@H+](CC(=O)Nc1ccccc1I)[C@H]1CC[C@H](O)CC1 ZINC000275890562 532885282 /nfs/dbraw/zinc/88/52/82/532885282.db2.gz RYMLJBQMOFPQOQ-HAQNSBGRSA-N 1 0 388.249 2.465 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000276044465 532887846 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O=S(=O)(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1ccc(Cl)nc1Cl ZINC000360231063 532889568 /nfs/dbraw/zinc/88/95/68/532889568.db2.gz TZUMASDMYRIQGT-NEPJUHHUSA-N 1 0 394.324 2.168 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000276144600 532889687 /nfs/dbraw/zinc/88/96/87/532889687.db2.gz NZPOFNYRMPKSOU-OAHLLOKOSA-N 1 0 391.331 2.056 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1ccc(F)cc1Cl ZINC000360229953 532889748 /nfs/dbraw/zinc/88/97/48/532889748.db2.gz LIXIUUMZZHQLTK-DOMZBBRYSA-N 1 0 376.881 2.258 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421305511 532889993 /nfs/dbraw/zinc/88/99/93/532889993.db2.gz NEQGOJAUVVPZEB-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO O=C(Nc1cccc(Br)n1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000276054853 532888353 /nfs/dbraw/zinc/88/83/53/532888353.db2.gz HVDJFKBFOBUTMN-CHWSQXEVSA-N 1 0 383.290 2.343 20 0 GEADRO OCCOCCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000360023421 532888738 /nfs/dbraw/zinc/88/87/38/532888738.db2.gz RLGFCXYDEHDKDV-AWEZNQCLSA-N 1 0 391.249 2.494 20 0 GEADRO Cc1cc(C(C)(C)C(=O)NCCN2CC[NH+](C)CC2)ccc1Br ZINC000290789838 532889383 /nfs/dbraw/zinc/88/93/83/532889383.db2.gz NXBNTYXHDXYHBU-UHFFFAOYSA-N 1 0 382.346 2.399 20 0 GEADRO COc1ccc(Br)c(CC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000360873048 532891034 /nfs/dbraw/zinc/89/10/34/532891034.db2.gz OWRXSJNUGGKBPV-HNNXBMFYSA-N 1 0 397.313 2.370 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000360834164 532891094 /nfs/dbraw/zinc/89/10/94/532891094.db2.gz ZOWMXZDTSVQNRY-ZDUSSCGKSA-N 1 0 389.924 2.268 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(Cl)c1 ZINC000360826806 532891353 /nfs/dbraw/zinc/89/13/53/532891353.db2.gz AJAQRVQHUPCFGG-OAHLLOKOSA-N 1 0 385.961 2.437 20 0 GEADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000360926205 532891616 /nfs/dbraw/zinc/89/16/16/532891616.db2.gz IVUITVAWSAPVHE-OSAQELSMSA-N 1 0 398.301 2.169 20 0 GEADRO COc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000361030838 532891818 /nfs/dbraw/zinc/89/18/18/532891818.db2.gz DDCKJLXGGKVSHH-PXAZEXFGSA-N 1 0 396.285 2.268 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000422269011 532891993 /nfs/dbraw/zinc/89/19/93/532891993.db2.gz LAUYYFHURYWZOK-SNVBAGLBSA-N 1 0 390.709 2.175 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360971421 532892064 /nfs/dbraw/zinc/89/20/64/532892064.db2.gz BQMSINSXPFSXRS-ORQFMDKSSA-N 1 0 378.314 2.392 20 0 GEADRO COC[C@]1(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)CC[NH2+]C1 ZINC000423043828 532893109 /nfs/dbraw/zinc/89/31/09/532893109.db2.gz ABLNBILWDFMBBZ-DIFFPNOSSA-N 1 0 399.285 2.024 20 0 GEADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423091134 532893415 /nfs/dbraw/zinc/89/34/15/532893415.db2.gz WSRQJRKUKOGLLP-YPMHNXCESA-N 1 0 388.295 2.089 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423094867 532893519 /nfs/dbraw/zinc/89/35/19/532893519.db2.gz CXVMRRWOXAQYBV-SFHVURJKSA-N 1 0 396.329 2.383 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000423078155 532893562 /nfs/dbraw/zinc/89/35/62/532893562.db2.gz VGBVBIDKEAWIEF-OAHLLOKOSA-N 1 0 384.318 2.239 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C(C)C)C1 ZINC000423095765 532893639 /nfs/dbraw/zinc/89/36/39/532893639.db2.gz GAPJAODNQNMDRP-OAHLLOKOSA-N 1 0 382.302 2.006 20 0 GEADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000290964205 532893891 /nfs/dbraw/zinc/89/38/91/532893891.db2.gz CTVATYADXFVLJB-UHFFFAOYSA-N 1 0 382.814 2.091 20 0 GEADRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1c(Br)cncc1Br ZINC000290997268 532894019 /nfs/dbraw/zinc/89/40/19/532894019.db2.gz AMDLYGMXRVLAGD-PRHODGIISA-N 1 0 380.080 2.236 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000423102427 532894046 /nfs/dbraw/zinc/89/40/46/532894046.db2.gz FCPNTPMFTIYWEL-XJKSGUPXSA-N 1 0 394.313 2.181 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000423105599 532894123 /nfs/dbraw/zinc/89/41/23/532894123.db2.gz QXFBKRISRCIPSG-OKILXGFUSA-N 1 0 396.329 2.395 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000423103735 532894177 /nfs/dbraw/zinc/89/41/77/532894177.db2.gz GLMRMLDALJBDCY-KCXAZCMYSA-N 1 0 394.313 2.308 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000423103734 532894270 /nfs/dbraw/zinc/89/42/70/532894270.db2.gz GLMRMLDALJBDCY-DAXOMENPSA-N 1 0 394.313 2.308 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291022584 532894990 /nfs/dbraw/zinc/89/49/90/532894990.db2.gz FMYLRRXHBUJABW-COMQUAJESA-N 1 0 383.539 2.233 20 0 GEADRO Cc1ccc(F)c(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1Br ZINC000424017915 532894630 /nfs/dbraw/zinc/89/46/30/532894630.db2.gz PNMKLDVWNOWXFD-GFCCVEGCSA-N 1 0 396.264 2.424 20 0 GEADRO C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000424027085 532894642 /nfs/dbraw/zinc/89/46/42/532894642.db2.gz AZTVNAPAIUNYIL-OAHLLOKOSA-N 1 0 382.302 2.122 20 0 GEADRO Cc1c(C(=O)N2CCCO[C@@H](C[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000424020280 532894759 /nfs/dbraw/zinc/89/47/59/532894759.db2.gz LVTBYGGSTRAHSY-HNNXBMFYSA-N 1 0 393.285 2.133 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424031408 532894763 /nfs/dbraw/zinc/89/47/63/532894763.db2.gz ZYURCDSIEKTETG-XJKSGUPXSA-N 1 0 385.302 2.429 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000276379890 532894917 /nfs/dbraw/zinc/89/49/17/532894917.db2.gz ODPXDUAAICFEOQ-UHFFFAOYSA-N 1 0 387.571 2.337 20 0 GEADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2CSCCS2)cc1 ZINC000276288510 532892792 /nfs/dbraw/zinc/89/27/92/532892792.db2.gz CRADFBKYEUGUHI-INIZCTEOSA-N 1 0 381.567 2.432 20 0 GEADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423034209 532892848 /nfs/dbraw/zinc/89/28/48/532892848.db2.gz POZXQWWIMHVZEM-HOTGVXAUSA-N 1 0 380.286 2.356 20 0 GEADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000276286831 532892892 /nfs/dbraw/zinc/89/28/92/532892892.db2.gz UYGWIKPPBCSTLM-GJZGRUSLSA-N 1 0 385.555 2.235 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC[NH2+]1 ZINC000423043544 532893045 /nfs/dbraw/zinc/89/30/45/532893045.db2.gz OZGHUTWVTUPVAO-MLGOLLRUSA-N 1 0 375.519 2.104 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291196876 532898197 /nfs/dbraw/zinc/89/81/97/532898197.db2.gz PRJYRMFWIAEETM-SWLSCSKDSA-N 1 0 380.432 2.000 20 0 GEADRO O=C(NCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)c1ccc(Br)cc1 ZINC000363323285 532898191 /nfs/dbraw/zinc/89/81/91/532898191.db2.gz UZQQFZOVRMZIPK-GDBMZVCRSA-N 1 0 394.313 2.170 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291022585 532895012 /nfs/dbraw/zinc/89/50/12/532895012.db2.gz FMYLRRXHBUJABW-OSFYFWSMSA-N 1 0 383.539 2.233 20 0 GEADRO COc1cc(I)c(C(=O)NC(C)(C)CC[NH3+])cc1OC 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390.571 2.193 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2cnc(OC)c(Br)c2)CC1 ZINC000424657951 532896663 /nfs/dbraw/zinc/89/66/63/532896663.db2.gz OXEXUVBZWQXFSZ-UHFFFAOYSA-N 1 0 399.333 2.000 20 0 GEADRO Cc1oc(Br)cc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000424658159 532896880 /nfs/dbraw/zinc/89/68/80/532896880.db2.gz GBECPYVUPRUTSI-UHFFFAOYSA-N 1 0 386.290 2.023 20 0 GEADRO COc1cc(Br)ccc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363219540 532897411 /nfs/dbraw/zinc/89/74/11/532897411.db2.gz SSWQTQOYEOAPHG-HNNXBMFYSA-N 1 0 396.329 2.310 20 0 GEADRO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363219632 532897484 /nfs/dbraw/zinc/89/74/84/532897484.db2.gz UGXHGGSLNFKCDU-OAHLLOKOSA-N 1 0 386.323 2.059 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000291197526 532897907 /nfs/dbraw/zinc/89/79/07/532897907.db2.gz AYSUVLFEHSQNOP-AAEUAGOBSA-N 1 0 397.317 2.328 20 0 GEADRO O=C(c1cc2ccccc2s1)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000363558838 532899400 /nfs/dbraw/zinc/89/94/00/532899400.db2.gz VPMHMMLLZWNIJA-HNNXBMFYSA-N 1 0 378.519 2.283 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cnc2Br)C1 ZINC000291269114 532899552 /nfs/dbraw/zinc/89/95/52/532899552.db2.gz HAWXCDXTIYPSMU-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363658860 532900001 /nfs/dbraw/zinc/90/00/01/532900001.db2.gz CIBMCSRVUYNWPL-ZDUSSCGKSA-N 1 0 375.897 2.326 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)ccc1Cl ZINC000363744077 532900558 /nfs/dbraw/zinc/90/05/58/532900558.db2.gz LGCMADCOFFJHQB-GUYCJALGSA-N 1 0 385.917 2.309 20 0 GEADRO Cn1cc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc(Br)c1=O ZINC000276590712 532898397 /nfs/dbraw/zinc/89/83/97/532898397.db2.gz JFRIPHRDQXTYRM-UHFFFAOYSA-N 1 0 376.254 2.088 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)ncc1Br ZINC000291432544 532901654 /nfs/dbraw/zinc/90/16/54/532901654.db2.gz LPLLSRWRRBBPJM-LLVKDONJSA-N 1 0 390.709 2.464 20 0 GEADRO 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377.432 2.275 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000366941819 532922073 /nfs/dbraw/zinc/92/20/73/532922073.db2.gz UNQPOSNBGJVNMP-ILWJIGKKSA-N 1 0 393.278 2.240 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c(C)c1Cl ZINC000366941112 532922144 /nfs/dbraw/zinc/92/21/44/532922144.db2.gz OYRKZLFEHJOEDD-UHFFFAOYSA-N 1 0 392.930 2.261 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292900706 532919744 /nfs/dbraw/zinc/91/97/44/532919744.db2.gz DKQJINLVFLYRTP-UMVBOHGHSA-N 1 0 392.297 2.012 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Cl)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000366651910 532919859 /nfs/dbraw/zinc/91/98/59/532919859.db2.gz JHPSCQLROIHGAZ-ZIAGYGMSSA-N 1 0 376.881 2.089 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000366649253 532920014 /nfs/dbraw/zinc/92/00/14/532920014.db2.gz CGIXUPVCOXLPGG-JKSUJKDBSA-N 1 0 390.908 2.230 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)/C=C/c2c(Cl)nc3sccn23)CC1 ZINC000366674600 532920364 /nfs/dbraw/zinc/92/03/64/532920364.db2.gz CBRXLZDOTRGBGL-SNAWJCMRSA-N 1 0 382.917 2.368 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000292968308 532920687 /nfs/dbraw/zinc/92/06/87/532920687.db2.gz GNWKLNZXJMHOPV-UHFFFAOYSA-N 1 0 395.301 2.262 20 0 GEADRO Cn1cc(Br)c(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000293004036 532920977 /nfs/dbraw/zinc/92/09/77/532920977.db2.gz GLVDNVSQIBLIDE-UHFFFAOYSA-N 1 0 395.301 2.096 20 0 GEADRO O=C(c1cncc(I)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000366807772 532921364 /nfs/dbraw/zinc/92/13/64/532921364.db2.gz SLCUNEAUHSLSQG-NWANDNLSSA-N 1 0 397.260 2.243 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cc2ccccc2nc1Br)C[NH+](C)C ZINC000293063069 532921720 /nfs/dbraw/zinc/92/17/20/532921720.db2.gz BLFGJLGEYMTJBR-LLVKDONJSA-N 1 0 393.285 2.250 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000367472930 532925351 /nfs/dbraw/zinc/92/53/51/532925351.db2.gz YZAOTIFBGUEPJK-INIZCTEOSA-N 1 0 392.345 2.309 20 0 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ZINC000367798063 532927183 /nfs/dbraw/zinc/92/71/83/532927183.db2.gz NTTNZUDQGIDCKQ-KCQAQPDRSA-N 1 0 388.917 2.126 20 0 GEADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000367798845 532927373 /nfs/dbraw/zinc/92/73/73/532927373.db2.gz RYROFJJUDNMFPO-BXKDBHETSA-N 1 0 379.707 2.475 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000367808211 532927542 /nfs/dbraw/zinc/92/75/42/532927542.db2.gz ZLOHGKGXAYSBPC-BXKDBHETSA-N 1 0 379.707 2.475 20 0 GEADRO C[C@@H](c1ncc(Br)cn1)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000367859551 532927922 /nfs/dbraw/zinc/92/79/22/532927922.db2.gz WWPRCMAQBCUYIW-GJZGRUSLSA-N 1 0 382.350 2.260 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000293586631 532928991 /nfs/dbraw/zinc/92/89/91/532928991.db2.gz KCSILLGPMAUJEM-UMVBOHGHSA-N 1 0 389.901 2.090 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)cnc1Br ZINC000293605233 532929280 /nfs/dbraw/zinc/92/92/80/532929280.db2.gz DYDJWVYHGQDDKP-UHFFFAOYSA-N 1 0 397.317 2.473 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000368058674 532929781 /nfs/dbraw/zinc/92/97/81/532929781.db2.gz AQKZXVZGCVKGKI-JKSUJKDBSA-N 1 0 377.913 2.143 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000367619085 532925975 /nfs/dbraw/zinc/92/59/75/532925975.db2.gz SFFOXDCIVKPHPW-CYBMUJFWSA-N 1 0 395.301 2.260 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368373468 532931933 /nfs/dbraw/zinc/93/19/33/532931933.db2.gz GEMXNIGXYQXTQP-VBNZEHGJSA-N 1 0 381.929 2.012 20 0 GEADRO Cc1c(Br)cc(C(=O)NCCCCC[NH+]2CCCC2)c(=O)n1C ZINC000293810565 532931970 /nfs/dbraw/zinc/93/19/70/532931970.db2.gz CAKKNUNCWVAVAB-UHFFFAOYSA-N 1 0 384.318 2.452 20 0 GEADRO CN1CC[NH+](CCC2CCN(C(=O)c3ccncc3Br)CC2)CC1 ZINC000368449955 532932443 /nfs/dbraw/zinc/93/24/43/532932443.db2.gz FOBAWZDDRQAIEF-UHFFFAOYSA-N 1 0 395.345 2.334 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000293680612 532930371 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C[NH+]1CCN(C[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)c2ccccc2)CC1 ZINC000736863534 598941451 /nfs/dbraw/zinc/94/14/51/598941451.db2.gz LLONZEAVNGQEIG-KRWDZBQOSA-N 1 0 398.902 2.316 20 0 GEADRO CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@H]1CCOC1 ZINC000736535243 598945661 /nfs/dbraw/zinc/94/56/61/598945661.db2.gz RNWNWZXCKFQHDX-GFCCVEGCSA-N 1 0 390.513 2.104 20 0 GEADRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CC(C)(C)O)c1-c1nn[nH]n1 ZINC000737202132 598947152 /nfs/dbraw/zinc/94/71/52/598947152.db2.gz KPAWNBHGXJFYBX-UHFFFAOYSA-N 1 0 389.504 2.041 20 0 GEADRO Cc1cccc(C[NH+]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)c1 ZINC000737392992 598955699 /nfs/dbraw/zinc/95/56/99/598955699.db2.gz DQQVXOPOSGKLRA-UHFFFAOYSA-N 1 0 386.463 2.441 20 0 GEADRO C[C@H]1C[NH+](C(C)(C)CNc2c3ccccc3nnc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000736295186 598956252 /nfs/dbraw/zinc/95/62/52/598956252.db2.gz ZIUURQULSFSFRO-STQMWFEESA-N 1 0 382.472 2.110 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc2c(c1)OCO2 ZINC000736130154 598959126 /nfs/dbraw/zinc/95/91/26/598959126.db2.gz GPGQDYRJMAWCHV-BLLLJJGKSA-N 1 0 392.419 2.052 20 0 GEADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000737074541 598959717 /nfs/dbraw/zinc/95/97/17/598959717.db2.gz XICVXFJXTPIDJH-YVEFUNNKSA-N 1 0 396.426 2.471 20 0 GEADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000735830052 598973854 /nfs/dbraw/zinc/97/38/54/598973854.db2.gz AZRYMKGYBQHDAX-QGZVFWFLSA-N 1 0 383.500 2.271 20 0 GEADRO CCC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736471783 598989633 /nfs/dbraw/zinc/98/96/33/598989633.db2.gz WJYAQLJJKYZNRJ-DFBGVHRSSA-N 1 0 390.513 2.392 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000669629160 599007407 /nfs/dbraw/zinc/00/74/07/599007407.db2.gz FUVGNUXGWABNIO-RYUDHWBXSA-N 1 0 398.920 2.013 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736757391 599029336 /nfs/dbraw/zinc/02/93/36/599029336.db2.gz RVDJIKQJLMQVIY-SFHVURJKSA-N 1 0 392.463 2.222 20 0 GEADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736129343 599049666 /nfs/dbraw/zinc/04/96/66/599049666.db2.gz DFSZKGFQOUOEKS-GGZSPTBLSA-N 1 0 390.875 2.250 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000736134054 599052440 /nfs/dbraw/zinc/05/24/40/599052440.db2.gz IXAMBPVWTABDTM-JXFKEZNVSA-N 1 0 378.480 2.246 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)[C@H](C)C1 ZINC000736615051 599063639 /nfs/dbraw/zinc/06/36/39/599063639.db2.gz KJDRWULCSQDFPZ-DOMZBBRYSA-N 1 0 379.896 2.464 20 0 GEADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000737746051 599076963 /nfs/dbraw/zinc/07/69/63/599076963.db2.gz ZEBHVXUHSDWMSY-APWZRJJASA-N 1 0 376.464 2.348 20 0 GEADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736237221 599080638 /nfs/dbraw/zinc/08/06/38/599080638.db2.gz VHMWHGBJCMIXQL-MNEFBYGVSA-N 1 0 379.464 2.484 20 0 GEADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000736242190 599082086 /nfs/dbraw/zinc/08/20/86/599082086.db2.gz QEXXPXRRWMJWOF-KOHRHEQBSA-N 1 0 397.527 2.390 20 0 GEADRO NC(=O)[C@H]([NH2+]CCCn1ccc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736958 599087312 /nfs/dbraw/zinc/08/73/12/599087312.db2.gz NWDTVFRNUHXHNZ-GOSISDBHSA-N 1 0 375.436 2.028 20 0 GEADRO CC(C)Oc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735914769 599091083 /nfs/dbraw/zinc/09/10/83/599091083.db2.gz JHKVILCPRTZVDT-GOSISDBHSA-N 1 0 380.452 2.013 20 0 GEADRO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CC2 ZINC000822710092 599103696 /nfs/dbraw/zinc/10/36/96/599103696.db2.gz YOPWESKMBXCQLA-UHFFFAOYSA-N 1 0 399.458 2.186 20 0 GEADRO Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1C ZINC000822510922 599111867 /nfs/dbraw/zinc/11/18/67/599111867.db2.gz YGXQYSBTJCEXND-AWEZNQCLSA-N 1 0 378.484 2.374 20 0 GEADRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736353798 599145421 /nfs/dbraw/zinc/14/54/21/599145421.db2.gz YMKFESDFXZXAAT-IBGZPJMESA-N 1 0 378.480 2.436 20 0 GEADRO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738218454 599157441 /nfs/dbraw/zinc/15/74/41/599157441.db2.gz FIEDXKSWPCBCKI-INIZCTEOSA-N 1 0 378.436 2.331 20 0 GEADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(F)(F)F ZINC000738383962 599177798 /nfs/dbraw/zinc/17/77/98/599177798.db2.gz YFPOQKBGWIHORT-JKSUJKDBSA-N 1 0 377.370 2.491 20 0 GEADRO COc1cc(CN2CC[NH+](C)CC2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045209 599206575 /nfs/dbraw/zinc/20/65/75/599206575.db2.gz GLTYTTKFGKMHNW-UHFFFAOYSA-N 1 0 394.479 2.202 20 0 GEADRO C[S@@](=O)CCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737173527 599212906 /nfs/dbraw/zinc/21/29/06/599212906.db2.gz PDLCGPVSAUPAEV-HHHXNRCGSA-N 1 0 385.493 2.304 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821161515 599230514 /nfs/dbraw/zinc/23/05/14/599230514.db2.gz YZOCQGIXLZERNV-NSHDSACASA-N 1 0 379.921 2.491 20 0 GEADRO C[NH+](C)C1(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)Cc2ccccc2C1 ZINC000821580981 599241261 /nfs/dbraw/zinc/24/12/61/599241261.db2.gz AHOUXYZZOBPISF-UHFFFAOYSA-N 1 0 377.452 2.087 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736248367 599250917 /nfs/dbraw/zinc/25/09/17/599250917.db2.gz IMAOOPQRQXCDEY-LAPQFRIASA-N 1 0 397.483 2.102 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736791866 599251078 /nfs/dbraw/zinc/25/10/78/599251078.db2.gz ISVFERURMYZNNJ-KRWDZBQOSA-N 1 0 388.541 2.433 20 0 GEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821794179 599253493 /nfs/dbraw/zinc/25/34/93/599253493.db2.gz BBKXZCACCRYLRE-UHFFFAOYSA-N 1 0 399.430 2.398 20 0 GEADRO Cc1c(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cccc1-c1nn[nH]n1 ZINC000822095921 607285740 /nfs/dbraw/zinc/28/57/40/607285740.db2.gz HUJGOIZJRLZMCZ-UHFFFAOYSA-N 1 0 391.479 2.396 20 0 GEADRO CN(C)c1cccc(C[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821598315 607312300 /nfs/dbraw/zinc/31/23/00/607312300.db2.gz YCPRREVABSHGGV-UHFFFAOYSA-N 1 0 379.468 2.393 20 0 GEADRO CCn1ncc2c1CCC[C@H]2[NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736730896 599288728 /nfs/dbraw/zinc/28/87/28/599288728.db2.gz KEFPBZQVQSDKCY-MLGOLLRUSA-N 1 0 380.456 2.077 20 0 GEADRO CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736730897 599288845 /nfs/dbraw/zinc/28/88/45/599288845.db2.gz KEFPBZQVQSDKCY-WBMJQRKESA-N 1 0 380.456 2.077 20 0 GEADRO CCn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736731658 599289039 /nfs/dbraw/zinc/28/90/39/599289039.db2.gz QGBIYUCJAUJYRQ-LRDDRELGSA-N 1 0 380.456 2.077 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000820656568 599290688 /nfs/dbraw/zinc/29/06/88/599290688.db2.gz GNTSRHBCJFTBGR-KOLCDFICSA-N 1 0 383.378 2.490 20 0 GEADRO Cc1ccc([C@H](CNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[NH+]2CCCC2)o1 ZINC000737320488 598234078 /nfs/dbraw/zinc/23/40/78/598234078.db2.gz LLBYKFTYQRDRIJ-KRWDZBQOSA-N 1 0 396.451 2.100 20 0 GEADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736481355 598237785 /nfs/dbraw/zinc/23/77/85/598237785.db2.gz OGHOPPPADLLSPT-GOSISDBHSA-N 1 0 384.484 2.111 20 0 GEADRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736907835 598249883 /nfs/dbraw/zinc/24/98/83/598249883.db2.gz DQXIPUUYXJLXIN-XKQJLSEDSA-N 1 0 398.467 2.001 20 0 GEADRO C[C@H]1CCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736259705 598257133 /nfs/dbraw/zinc/25/71/33/598257133.db2.gz GDVVGASSFMVTKG-MAUKXSAKSA-N 1 0 383.500 2.273 20 0 GEADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000735636554 598257222 /nfs/dbraw/zinc/25/72/22/598257222.db2.gz YYTQVFIHKRBKNS-CQSZACIVSA-N 1 0 388.472 2.092 20 0 GEADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735636562 598257270 /nfs/dbraw/zinc/25/72/70/598257270.db2.gz ZCRPCFZUCJUMGQ-CQSZACIVSA-N 1 0 397.483 2.466 20 0 GEADRO C[C@H](C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736235456 598260242 /nfs/dbraw/zinc/26/02/42/598260242.db2.gz BRCXXJHSVLQSDX-OWCLPIDISA-N 1 0 398.511 2.498 20 0 GEADRO FC(F)(F)c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)cc1-c1nn[nH]n1 ZINC000822723227 607346752 /nfs/dbraw/zinc/34/67/52/607346752.db2.gz AOBXDQPQWGWSQE-GFCCVEGCSA-N 1 0 382.390 2.044 20 0 GEADRO CCn1nc(C)c(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000736729609 598284680 /nfs/dbraw/zinc/28/46/80/598284680.db2.gz YEHBANVCFUPQIF-UHFFFAOYSA-N 1 0 380.500 2.459 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)C1CCCCC1 ZINC000736758756 598325817 /nfs/dbraw/zinc/32/58/17/598325817.db2.gz HTAGRZLDBLMHSM-KRWDZBQOSA-N 1 0 389.479 2.316 20 0 GEADRO CC[NH+](CC)CC1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736534487 598328528 /nfs/dbraw/zinc/32/85/28/598328528.db2.gz PNFMWWCWUFOXOY-UHFFFAOYSA-N 1 0 389.479 2.269 20 0 GEADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736769849 598328903 /nfs/dbraw/zinc/32/89/03/598328903.db2.gz UIANTPNMOWCZJT-UHFFFAOYSA-N 1 0 397.458 2.279 20 0 GEADRO COc1ccccc1[C@H](CNc1nccnc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000737143642 598345851 /nfs/dbraw/zinc/34/58/51/598345851.db2.gz YBDPUTOGNLXCCT-HNNXBMFYSA-N 1 0 380.456 2.304 20 0 GEADRO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n1 ZINC000737475040 598357617 /nfs/dbraw/zinc/35/76/17/598357617.db2.gz YZSBBQZGTLATJB-INIZCTEOSA-N 1 0 377.456 2.165 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000736757512 598357914 /nfs/dbraw/zinc/35/79/14/598357914.db2.gz BMZJFDSGIOEDRJ-QGZVFWFLSA-N 1 0 396.451 2.109 20 0 GEADRO C[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736288103 598364548 /nfs/dbraw/zinc/36/45/48/598364548.db2.gz QTYGVBKQGJRHBM-FOIQADDNSA-N 1 0 396.470 2.246 20 0 GEADRO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735586925 598372161 /nfs/dbraw/zinc/37/21/61/598372161.db2.gz NPZXXVUDHYLAML-HNNXBMFYSA-N 1 0 381.484 2.246 20 0 GEADRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737075145 598372427 /nfs/dbraw/zinc/37/24/27/598372427.db2.gz KZUTUJSOMBTNFF-GOEBONIOSA-N 1 0 383.452 2.274 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736768158 598384177 /nfs/dbraw/zinc/38/41/77/598384177.db2.gz WKNPFRLPKSSYCS-UHFFFAOYSA-N 1 0 397.458 2.008 20 0 GEADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000738400980 598418848 /nfs/dbraw/zinc/41/88/48/598418848.db2.gz MRQQFDOYXNRJHU-LBPRGKRZSA-N 1 0 377.905 2.387 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000738383860 598419094 /nfs/dbraw/zinc/41/90/94/598419094.db2.gz CIQYTEPODAFJIK-HOTGVXAUSA-N 1 0 383.427 2.235 20 0 GEADRO C[NH+](C)CCCOc1ccc(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736768016 598425746 /nfs/dbraw/zinc/42/57/46/598425746.db2.gz VSPBLZQYIPTNBJ-UHFFFAOYSA-N 1 0 395.467 2.248 20 0 GEADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000735873473 598427530 /nfs/dbraw/zinc/42/75/30/598427530.db2.gz AVTOTDMHXWRRMH-ROUUACIJSA-N 1 0 383.500 2.414 20 0 GEADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000738117644 598446265 /nfs/dbraw/zinc/44/62/65/598446265.db2.gz VCKFQOUIKHPABE-UHFFFAOYSA-N 1 0 376.464 2.395 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000736178565 598454653 /nfs/dbraw/zinc/45/46/53/598454653.db2.gz ANIIMKRWOMGVJR-HZPDHXFCSA-N 1 0 384.484 2.111 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736252147 598465894 /nfs/dbraw/zinc/46/58/94/598465894.db2.gz PNXCGZPFYDKGFW-HUUCEWRRSA-N 1 0 388.541 2.479 20 0 GEADRO c1ccc2c(c1)C=C(C[NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CO2 ZINC000735400980 598466020 /nfs/dbraw/zinc/46/60/20/598466020.db2.gz UPDVUELMUGZSPU-UHFFFAOYSA-N 1 0 389.463 2.296 20 0 GEADRO O=C(COc1ccccc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N1CCCC1 ZINC000737928702 598466113 /nfs/dbraw/zinc/46/61/13/598466113.db2.gz BIHAAMZKGRJFFR-UHFFFAOYSA-N 1 0 392.463 2.158 20 0 GEADRO COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1F ZINC000737091864 598466515 /nfs/dbraw/zinc/46/65/15/598466515.db2.gz GNCNTNIOTBLFNA-UHFFFAOYSA-N 1 0 383.431 2.168 20 0 GEADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736250798 598471406 /nfs/dbraw/zinc/47/14/06/598471406.db2.gz MTCQMCXOLQXVGV-TXEJJXNPSA-N 1 0 398.920 2.061 20 0 GEADRO C[C@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[NH+]1CCCCC1 ZINC000736016932 598479655 /nfs/dbraw/zinc/47/96/55/598479655.db2.gz FVETZILHUFRPJB-OAHLLOKOSA-N 1 0 383.500 2.415 20 0 GEADRO Fc1ccc(C2(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)cc1 ZINC000737648614 598523872 /nfs/dbraw/zinc/52/38/72/598523872.db2.gz IERWAXOIONPXSH-AWEZNQCLSA-N 1 0 396.474 2.346 20 0 GEADRO Clc1ccc2c(CC[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c[nH]c2c1 ZINC000737574834 598527828 /nfs/dbraw/zinc/52/78/28/598527828.db2.gz UHDRNTNINLCCJG-LLVKDONJSA-N 1 0 397.874 2.072 20 0 GEADRO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736653935 598528895 /nfs/dbraw/zinc/52/88/95/598528895.db2.gz NSRIEPDAZKQDSU-CZUORRHYSA-N 1 0 382.472 2.245 20 0 GEADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736828182 598533131 /nfs/dbraw/zinc/53/31/31/598533131.db2.gz LRTNDSAMKRNYDM-OAQYLSRUSA-N 1 0 392.507 2.324 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000736170736 598541863 /nfs/dbraw/zinc/54/18/63/598541863.db2.gz WLSNHUZPJRXRFH-AWEZNQCLSA-N 1 0 380.452 2.377 20 0 GEADRO O=C(NCC[NH+]1CCCCCC1)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000738074426 598560011 /nfs/dbraw/zinc/56/00/11/598560011.db2.gz FPYKQXMPQHFTQE-UHFFFAOYSA-N 1 0 395.414 2.466 20 0 GEADRO CC[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000736571046 598560337 /nfs/dbraw/zinc/56/03/37/598560337.db2.gz OWVYLBWJPMMCRQ-UHFFFAOYSA-N 1 0 381.387 2.074 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736265644 598596104 /nfs/dbraw/zinc/59/61/04/598596104.db2.gz KPUFLFHIEZFICJ-JTDSTZFVSA-N 1 0 397.527 2.072 20 0 GEADRO O=C(CC[N@H+]1CCCC[C@@H]1CCO)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737843862 598620523 /nfs/dbraw/zinc/62/05/23/598620523.db2.gz NLIGOADTIPZVAU-CYBMUJFWSA-N 1 0 378.864 2.086 20 0 GEADRO O=C(COc1ccccc1-c1nn[nH]n1)NCc1ccccc1C[NH+]1CCCC1 ZINC000737929850 598623866 /nfs/dbraw/zinc/62/38/66/598623866.db2.gz JJHRDROOHGKWLB-UHFFFAOYSA-N 1 0 392.463 2.158 20 0 GEADRO c1cc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc(C2CC2)n1 ZINC000738412236 598638361 /nfs/dbraw/zinc/63/83/61/598638361.db2.gz CWWHQWNJWIGPET-UHFFFAOYSA-N 1 0 376.468 2.246 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000736757433 598663029 /nfs/dbraw/zinc/66/30/29/598663029.db2.gz AJSUDPORBVAWQX-AWEZNQCLSA-N 1 0 388.522 2.439 20 0 GEADRO C[NH+](C)Cc1ccccc1CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736771010 598663146 /nfs/dbraw/zinc/66/31/46/598663146.db2.gz GOPBMSVMEUVFHY-UHFFFAOYSA-N 1 0 382.493 2.337 20 0 GEADRO CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736768615 598668097 /nfs/dbraw/zinc/66/80/97/598668097.db2.gz GITLEGCYKMMYIV-MDWZMJQESA-N 1 0 392.463 2.483 20 0 GEADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000737963940 598672275 /nfs/dbraw/zinc/67/22/75/598672275.db2.gz VNIUPTLLIPQYAN-IBGZPJMESA-N 1 0 390.491 2.090 20 0 GEADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000738048030 598672699 /nfs/dbraw/zinc/67/26/99/598672699.db2.gz CMIASLLAKCRPPW-KRWDZBQOSA-N 1 0 376.464 2.161 20 0 GEADRO FC(F)Oc1ccc2ncc(-c3nn[nH]n3)c(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000737639318 598674250 /nfs/dbraw/zinc/67/42/50/598674250.db2.gz QYDYGPMGHHJEMD-LLVKDONJSA-N 1 0 387.394 2.301 20 0 GEADRO CC(C)C[NH+]1CCN(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735835919 598681099 /nfs/dbraw/zinc/68/10/99/598681099.db2.gz RTWGMKPFRWIKJC-UHFFFAOYSA-N 1 0 386.500 2.216 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735875587 598684341 /nfs/dbraw/zinc/68/43/41/598684341.db2.gz PFENDWVSHTXSBF-MRXNPFEDSA-N 1 0 386.500 2.262 20 0 GEADRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736020283 598704743 /nfs/dbraw/zinc/70/47/43/598704743.db2.gz MPAUVKNTRZZTCH-CYBMUJFWSA-N 1 0 376.461 2.091 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NOCc1ccccc1 ZINC000736766535 598727492 /nfs/dbraw/zinc/72/74/92/598727492.db2.gz APVGZLPGTZIDRH-UHFFFAOYSA-N 1 0 395.467 2.072 20 0 GEADRO CCS[C@@H]1CCCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736666319 598749217 /nfs/dbraw/zinc/74/92/17/598749217.db2.gz RISSQLDDBGIHJH-NVXWUHKLSA-N 1 0 377.514 2.214 20 0 GEADRO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736315309 598764890 /nfs/dbraw/zinc/76/48/90/598764890.db2.gz ROYDFUUCWRVKFR-AWEZNQCLSA-N 1 0 386.500 2.403 20 0 GEADRO CC1(C)C[N@H+](CCNc2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000736213584 598771639 /nfs/dbraw/zinc/77/16/39/598771639.db2.gz KPEGFGFLRNKUEB-UHFFFAOYSA-N 1 0 389.410 2.216 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNc2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000736869255 598794100 /nfs/dbraw/zinc/79/41/00/598794100.db2.gz ZUGHOEVYVBKTJX-UHFFFAOYSA-N 1 0 384.875 2.279 20 0 GEADRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)n1cccc1 ZINC000735972967 598808482 /nfs/dbraw/zinc/80/84/82/598808482.db2.gz AODCUPHCWZKAEU-INIZCTEOSA-N 1 0 381.484 2.210 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000735986078 598813261 /nfs/dbraw/zinc/81/32/61/598813261.db2.gz KZMXQKVIVGEKIA-ZDUSSCGKSA-N 1 0 381.440 2.124 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736850116 598814256 /nfs/dbraw/zinc/81/42/56/598814256.db2.gz ZQIZGKBFUGSBJD-AWEZNQCLSA-N 1 0 378.436 2.341 20 0 GEADRO Oc1cccc(C[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC2CC2)c1 ZINC000738401950 598819465 /nfs/dbraw/zinc/81/94/65/598819465.db2.gz XXGVUUMTAARFBG-LJQANCHMSA-N 1 0 395.463 2.224 20 0 GEADRO COc1ccc([C@H](CO)[N@H+](C)CCCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737076907 598820689 /nfs/dbraw/zinc/82/06/89/598820689.db2.gz SYTQNLVAMKISGP-IBGZPJMESA-N 1 0 383.452 2.310 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C[C@H]1[NH+](C)C ZINC000736292242 599296302 /nfs/dbraw/zinc/29/63/02/599296302.db2.gz NXTMQTUOXYZNSB-CZUORRHYSA-N 1 0 396.451 2.061 20 0 GEADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000820420076 599300894 /nfs/dbraw/zinc/30/08/94/599300894.db2.gz MCYXNAYAVOEGOG-CYBMUJFWSA-N 1 0 394.435 2.317 20 0 GEADRO CCC[C@]1(C)CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821026778 599307933 /nfs/dbraw/zinc/30/79/33/599307933.db2.gz BTSJMKWDWVJZIL-OXQOHEQNSA-N 1 0 382.468 2.401 20 0 GEADRO Cc1csc(C2([NH2+]C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCC2)n1 ZINC000737455207 599355376 /nfs/dbraw/zinc/35/53/76/599355376.db2.gz NYVXQQYIDUGKDI-CQSZACIVSA-N 1 0 386.481 2.040 20 0 GEADRO Cc1cccnc1[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000737435438 599355448 /nfs/dbraw/zinc/35/54/48/599355448.db2.gz NTYSUXXJOYWSEU-WMZOPIPTSA-N 1 0 382.468 2.297 20 0 GEADRO Cc1cccnc1[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000737435432 599355711 /nfs/dbraw/zinc/35/57/11/599355711.db2.gz NTYSUXXJOYWSEU-AEFFLSMTSA-N 1 0 382.468 2.297 20 0 GEADRO CC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736537578 599363811 /nfs/dbraw/zinc/36/38/11/599363811.db2.gz NDSDZWMURHRIHQ-AWEZNQCLSA-N 1 0 397.483 2.114 20 0 GEADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C(C)C ZINC000821683875 599381243 /nfs/dbraw/zinc/38/12/43/599381243.db2.gz MKTAEBYYZFDHSW-JQWIXIFHSA-N 1 0 378.502 2.005 20 0 GEADRO Cc1cc(NC(=O)c2ccc(-c3nn[nH]n3)nc2)ccc1OCC[NH+]1CCCC1 ZINC000737273630 599391516 /nfs/dbraw/zinc/39/15/16/599391516.db2.gz HKSCLNMLTJMADA-UHFFFAOYSA-N 1 0 393.451 2.297 20 0 GEADRO Cc1cccc(OCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000822327529 599392318 /nfs/dbraw/zinc/39/23/18/599392318.db2.gz HWNUYVUGBQILLR-JKSUJKDBSA-N 1 0 394.479 2.409 20 0 GEADRO COc1ccc(C[NH2+]C[C@H](C)N2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821810364 599399458 /nfs/dbraw/zinc/39/94/58/599399458.db2.gz ZLVCQFVJMFLRCF-HNNXBMFYSA-N 1 0 378.480 2.412 20 0 GEADRO COc1ccc(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)cc1-c1nn[nH]n1 ZINC000821728327 599401856 /nfs/dbraw/zinc/40/18/56/599401856.db2.gz UNDQMEDCDRVKNI-GFCCVEGCSA-N 1 0 381.436 2.497 20 0 GEADRO FC(F)Oc1cc2c(cc1C[NH2+]Cc1cccc(-c3nn[nH]n3)c1)OCO2 ZINC000822731945 599402386 /nfs/dbraw/zinc/40/23/86/599402386.db2.gz GBUKJKPXWRHNPO-UHFFFAOYSA-N 1 0 375.335 2.487 20 0 GEADRO C[C@@H]1C[NH+](Cc2ccc(CNc3cccc(-c4nn[nH]n4)n3)cc2)C[C@@H](C)O1 ZINC000736284760 599406123 /nfs/dbraw/zinc/40/61/23/599406123.db2.gz 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NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737742924 599478649 /nfs/dbraw/zinc/47/86/49/599478649.db2.gz RNYBGLWBAKKWHK-KSSFIOAISA-N 1 0 380.427 2.097 20 0 GEADRO CC(C)[C@@H](CNCc1cnc2ccc(-c3nn[nH]n3)cn12)[NH+]1CCC(C)CC1 ZINC000736279761 599484515 /nfs/dbraw/zinc/48/45/15/599484515.db2.gz ZTWKEGYQNRJCKP-GOSISDBHSA-N 1 0 382.516 2.361 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000738428237 599485991 /nfs/dbraw/zinc/48/59/91/599485991.db2.gz MUJLADCVENOGOG-UHFFFAOYSA-N 1 0 389.463 2.352 20 0 GEADRO O=C(C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Nc1cccc2ccccc21 ZINC000737894019 599490791 /nfs/dbraw/zinc/49/07/91/599490791.db2.gz BNPHAWAPHXXTFH-UHFFFAOYSA-N 1 0 398.430 2.396 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000738432202 599491714 /nfs/dbraw/zinc/49/17/14/599491714.db2.gz DSUKSKKZEQBCLW-SFHVURJKSA-N 1 0 388.479 2.269 20 0 GEADRO CC[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1C[C@H](C)O 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607496340 /nfs/dbraw/zinc/49/63/40/607496340.db2.gz IPOUSERGSYMJEY-UHFFFAOYSA-N 1 0 399.524 2.348 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000820092457 607507335 /nfs/dbraw/zinc/50/73/35/607507335.db2.gz MEVORYRUDJBQSE-ZDUSSCGKSA-N 1 0 375.452 2.495 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000821762461 607507856 /nfs/dbraw/zinc/50/78/56/607507856.db2.gz LYRLSUVISZPGHO-WMLDXEAASA-N 1 0 397.483 2.356 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261679 607515209 /nfs/dbraw/zinc/51/52/09/607515209.db2.gz ORCSMFCPCGCWEQ-KRWDZBQOSA-N 1 0 385.516 2.376 20 0 GEADRO COc1ccc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cc1-c1nn[nH]n1 ZINC000826193020 607517292 /nfs/dbraw/zinc/51/72/92/607517292.db2.gz MOUNAVWIFORZBR-UHFFFAOYSA-N 1 0 392.463 2.400 20 0 GEADRO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(-c2nn[nH]n2)c1C ZINC000826341492 607526980 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20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)c1[nH]nc2ccc(I)cc21 ZINC000444269211 649943874 /nfs/dbraw/zinc/94/38/74/649943874.db2.gz WTDVNHKBBMQHAS-SNVBAGLBSA-N 1 0 384.221 2.039 20 0 GEADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC000824945816 607697948 /nfs/dbraw/zinc/69/79/48/607697948.db2.gz GHAQIIFQWFTWRO-CQSZACIVSA-N 1 0 379.468 2.357 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000444288418 649945290 /nfs/dbraw/zinc/94/52/90/649945290.db2.gz FURTYQYMUSCTLC-UHFFFAOYSA-N 1 0 379.657 2.428 20 0 GEADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c2ccccc2)CC1 ZINC000824956561 607703632 /nfs/dbraw/zinc/70/36/32/607703632.db2.gz SSZPHGTZBRPPRX-GOSISDBHSA-N 1 0 379.468 2.398 20 0 GEADRO C[N@H+]1CC=C(CNC(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000444346353 649946865 /nfs/dbraw/zinc/94/68/65/649946865.db2.gz VAQPBSGVOHINIH-UHFFFAOYSA-N 1 0 376.254 2.282 20 0 GEADRO Cc1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c(C)s1 ZINC000826322971 607710700 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c1c2c(nc(NCC3(C[NH+]4CCOCC4)CCCCC3)c1-c1nn[nH]n1)CCC2 ZINC000823737027 606233051 /nfs/dbraw/zinc/23/30/51/606233051.db2.gz AHESSZYODWMMCW-UHFFFAOYSA-N 1 0 397.527 2.445 20 0 GEADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821196565 606258348 /nfs/dbraw/zinc/25/83/48/606258348.db2.gz ANOJQZICELXTMY-QGZVFWFLSA-N 1 0 393.495 2.189 20 0 GEADRO COc1ccccc1[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH+]1CCCCC1 ZINC000821882562 606259579 /nfs/dbraw/zinc/25/95/79/606259579.db2.gz DPGUDVQXHLSGHN-KRWDZBQOSA-N 1 0 395.467 2.160 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000821001554 606275080 /nfs/dbraw/zinc/27/50/80/606275080.db2.gz ROOMODMZFFPQDE-XHSDSOJGSA-N 1 0 384.484 2.109 20 0 GEADRO COC(=O)[C@@H](NCCC[N@H+](C)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000821641976 606300041 /nfs/dbraw/zinc/30/00/41/606300041.db2.gz BLYXPRLWKLVUBZ-SFHVURJKSA-N 1 0 386.500 2.325 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000445739144 649965123 /nfs/dbraw/zinc/96/51/23/649965123.db2.gz DRDLTNDNZUPSHG-UHFFFAOYSA-N 1 0 390.347 2.278 20 0 GEADRO C[C@@H](CCc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820253264 606307591 /nfs/dbraw/zinc/30/75/91/606307591.db2.gz HNVVOZXIIKSSEI-HNNXBMFYSA-N 1 0 385.493 2.251 20 0 GEADRO COC(=O)[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000821642001 606309888 /nfs/dbraw/zinc/30/98/88/606309888.db2.gz BUWYZENCVYRSIA-IBGZPJMESA-N 1 0 398.511 2.468 20 0 GEADRO CC[NH+](CC)CC1CCN([C@@H](C(=O)OC)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821188921 606318107 /nfs/dbraw/zinc/31/81/07/606318107.db2.gz GJNPLWSEBTYRSE-GOSISDBHSA-N 1 0 386.500 2.135 20 0 GEADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000821001509 606334373 /nfs/dbraw/zinc/33/43/73/606334373.db2.gz RHKVWAQLCPLXDK-DLBZAZTESA-N 1 0 386.500 2.203 20 0 GEADRO CNS(=O)(=O)CCC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445882955 649965434 /nfs/dbraw/zinc/96/54/34/649965434.db2.gz BRCUCMLUYXJFQZ-CYBMUJFWSA-N 1 0 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CCC(CC)[C@@H](CNc1ccc(Cl)c(-c2nn[nH]n2)n1)[NH+]1CCOCC1 ZINC000820893089 606446838 /nfs/dbraw/zinc/44/68/38/606446838.db2.gz JDEGLNIAOGWMDU-CQSZACIVSA-N 1 0 379.896 2.464 20 0 GEADRO CN(c1ccc(Cl)c(-c2nn[nH]n2)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821618929 606462458 /nfs/dbraw/zinc/46/24/58/606462458.db2.gz BRFPDAQNIFDKTO-UHFFFAOYSA-N 1 0 398.902 2.453 20 0 GEADRO O=C(OCCCOCCC[NH+]1CCCCC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823400960 606467743 /nfs/dbraw/zinc/46/77/43/606467743.db2.gz MEUZIAPCTLCTER-UHFFFAOYSA-N 1 0 379.486 2.368 20 0 GEADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000822732894 606489448 /nfs/dbraw/zinc/48/94/48/606489448.db2.gz NVNBGAXZKZBVQV-AWEZNQCLSA-N 1 0 375.383 2.329 20 0 GEADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000822733186 606500958 /nfs/dbraw/zinc/50/09/58/606500958.db2.gz RYVISXSOKNFDLL-CYBMUJFWSA-N 1 0 378.427 2.386 20 0 GEADRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)cn1 ZINC000822673814 606510207 /nfs/dbraw/zinc/51/02/07/606510207.db2.gz CGEGFKNLHVNCPM-GFCCVEGCSA-N 1 0 389.410 2.266 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000823092068 606520479 /nfs/dbraw/zinc/52/04/79/606520479.db2.gz AYGLDUCQMOFPPW-MRXNPFEDSA-N 1 0 382.493 2.424 20 0 GEADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821584822 606550915 /nfs/dbraw/zinc/55/09/15/606550915.db2.gz UKJAAQDJJCEWOS-UHFFFAOYSA-N 1 0 386.481 2.189 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000821581413 606603679 /nfs/dbraw/zinc/60/36/79/606603679.db2.gz KPIIYHCRZCDWSY-SJLPKXTDSA-N 1 0 383.500 2.414 20 0 GEADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C[C@@H]1CCOC1 ZINC000821598158 606621643 /nfs/dbraw/zinc/62/16/43/606621643.db2.gz SWJPMDHTPUUATN-LBPRGKRZSA-N 1 0 390.513 2.104 20 0 GEADRO C[C@@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[N@H+](C)Cc1ccccc1 ZINC000820270093 606678617 /nfs/dbraw/zinc/67/86/17/606678617.db2.gz UYABRGRPYFSBCF-LBPRGKRZSA-N 1 0 386.406 2.395 20 0 GEADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821583191 606679503 /nfs/dbraw/zinc/67/95/03/606679503.db2.gz LVXFZCLWETVYTI-ZDUSSCGKSA-N 1 0 384.390 2.278 20 0 GEADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000821240603 606692808 /nfs/dbraw/zinc/69/28/08/606692808.db2.gz HSJSFIGOVVKYNO-SUMWQHHRSA-N 1 0 393.451 2.124 20 0 GEADRO COc1cc(CN2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cc(OC)c1 ZINC000821717655 606730271 /nfs/dbraw/zinc/73/02/71/606730271.db2.gz SCWCPGLEANYHQI-SFHVURJKSA-N 1 0 394.479 2.248 20 0 GEADRO CC[N@@H+]1C[C@H](C)[C@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000821241865 606731431 /nfs/dbraw/zinc/73/14/31/606731431.db2.gz PJPAHMWFWGELEJ-TVQRCGJNSA-N 1 0 375.839 2.381 20 0 GEADRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000821241282 606731464 /nfs/dbraw/zinc/73/14/64/606731464.db2.gz LMPZQCUCGPRKIN-MEBBXXQBSA-N 1 0 389.410 2.190 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)c2ccccc2O1 ZINC000821584521 606747245 /nfs/dbraw/zinc/74/72/45/606747245.db2.gz HVXKJODWJIEFQK-LPQFERQCSA-N 1 0 390.447 2.236 20 0 GEADRO CN1CCO[C@H]2C[N@H+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)C[C@@H]21 ZINC000821628714 606760935 /nfs/dbraw/zinc/76/09/35/606760935.db2.gz OTBQBTMWZFRDLK-PMACEKPBSA-N 1 0 376.464 2.049 20 0 GEADRO Cc1sc(NC(=O)C[NH2+]C2(CCO)CCCCC2)c(-c2nn[nH]n2)c1C ZINC000822562757 606788270 /nfs/dbraw/zinc/78/82/70/606788270.db2.gz DLZSIAJJVKTWOE-UHFFFAOYSA-N 1 0 378.502 2.158 20 0 GEADRO CN(CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821593793 606796751 /nfs/dbraw/zinc/79/67/51/606796751.db2.gz KIXSYRYYZUAZNN-LJQANCHMSA-N 1 0 391.479 2.012 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000821407043 606834491 /nfs/dbraw/zinc/83/44/91/606834491.db2.gz NUXNIHCMODTANJ-CZUORRHYSA-N 1 0 387.488 2.459 20 0 GEADRO CCc1ccc([C@@H](C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)N(C)C)cc1 ZINC000821482111 606846075 /nfs/dbraw/zinc/84/60/75/606846075.db2.gz QKGQHEBVEJKTHW-UXHICEINSA-N 1 0 380.496 2.355 20 0 GEADRO O[C@H](C[NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682002 606846421 /nfs/dbraw/zinc/84/64/21/606846421.db2.gz MEHQUOWXQATEIQ-WOJBJXKFSA-N 1 0 378.480 2.327 20 0 GEADRO CC[C@@H](C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000820908911 606852450 /nfs/dbraw/zinc/85/24/50/606852450.db2.gz RHCRYKDZVKPLRD-SFTDATJTSA-N 1 0 392.507 2.327 20 0 GEADRO CC[C@@H](C[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000820908908 606852906 /nfs/dbraw/zinc/85/29/06/606852906.db2.gz RHCRYKDZVKPLRD-LEWJYISDSA-N 1 0 392.507 2.327 20 0 GEADRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820570549 606857176 /nfs/dbraw/zinc/85/71/76/606857176.db2.gz LZHZMKZDAIGDIT-XPGWFJOJSA-N 1 0 378.480 2.325 20 0 GEADRO O=C(NC1CCCCC1)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823149843 606857938 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2.163 20 0 GEADRO CN(c1cccnn1)C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821618913 606895782 /nfs/dbraw/zinc/89/57/82/606895782.db2.gz AYXFJOCRXZAUDE-UHFFFAOYSA-N 1 0 394.483 2.026 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703472 606899159 /nfs/dbraw/zinc/89/91/59/606899159.db2.gz FZPCJFOEUJJNKE-FUHIMQAGSA-N 1 0 384.528 2.487 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820656495 606904192 /nfs/dbraw/zinc/90/41/92/606904192.db2.gz FUZZTEIXCFREIG-HNAYVOBHSA-N 1 0 376.464 2.188 20 0 GEADRO CN(C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821596647 606905789 /nfs/dbraw/zinc/90/57/89/606905789.db2.gz QRYHUAIDCWICLE-NQIIRXRSSA-N 1 0 392.507 2.354 20 0 GEADRO C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000821594918 606926740 /nfs/dbraw/zinc/92/67/40/606926740.db2.gz GMZNTQSZCMPIOH-NRFANRHFSA-N 1 0 392.507 2.497 20 0 GEADRO CC[C@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000820995003 606932526 /nfs/dbraw/zinc/93/25/26/606932526.db2.gz MBFIHOHFPMZNKX-ZDUSSCGKSA-N 1 0 384.406 2.433 20 0 GEADRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCC2 ZINC000821362148 606935026 /nfs/dbraw/zinc/93/50/26/606935026.db2.gz YQWQJLVAUYPCGE-IAGOWNOFSA-N 1 0 384.484 2.475 20 0 GEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cc3)nc2)CC1 ZINC000821583564 606936866 /nfs/dbraw/zinc/93/68/66/606936866.db2.gz ZSKVKYIHSYEDDD-UHFFFAOYSA-N 1 0 392.467 2.044 20 0 GEADRO CCc1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(-c2nn[nH]n2)c1CC ZINC000821521048 606939940 /nfs/dbraw/zinc/93/99/40/606939940.db2.gz DTDKLIRLQVCBNU-INIZCTEOSA-N 1 0 392.511 2.492 20 0 GEADRO FC(F)(F)c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723483 606942192 /nfs/dbraw/zinc/94/21/92/606942192.db2.gz GJAFWBBCJYBLNS-LBPRGKRZSA-N 1 0 382.390 2.044 20 0 GEADRO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000820102713 606951977 /nfs/dbraw/zinc/95/19/77/606951977.db2.gz HWFPAEYYDFVBGI-GJZGRUSLSA-N 1 0 396.499 2.491 20 0 GEADRO Cn1cc(Br)cc1C[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000821605040 606985237 /nfs/dbraw/zinc/98/52/37/606985237.db2.gz RQMGDIGABMCHFG-UHFFFAOYSA-N 1 0 391.273 2.479 20 0 GEADRO COc1cc([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)ccc1S(C)(=O)=O ZINC000821707914 606997175 /nfs/dbraw/zinc/99/71/75/606997175.db2.gz HORJYNMYBHSGNM-GFCCVEGCSA-N 1 0 387.465 2.130 20 0 GEADRO O[C@@]12CCCC[C@H]1C[N@H+](Cn1ccc(-c3ccc(-c4nn[nH]n4)cc3)n1)CC2 ZINC000823697144 607003149 /nfs/dbraw/zinc/00/31/49/607003149.db2.gz JTRYAGDVMIYUCB-FXAWDEMLSA-N 1 0 379.468 2.315 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CSc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821579653 607010393 /nfs/dbraw/zinc/01/03/93/607010393.db2.gz JNEOYPOOGJFRMD-KRWDZBQOSA-N 1 0 382.493 2.378 20 0 GEADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821637865 607014245 /nfs/dbraw/zinc/01/42/45/607014245.db2.gz WUCIEIGCDLNIJL-STQMWFEESA-N 1 0 386.481 2.187 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820132958 607014686 /nfs/dbraw/zinc/01/46/86/607014686.db2.gz OXJODWJWJBSWAW-HNNXBMFYSA-N 1 0 386.500 2.261 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821242541 607044626 /nfs/dbraw/zinc/04/46/26/607044626.db2.gz UZVHRXXNPQAWOI-UHFFFAOYSA-N 1 0 386.500 2.262 20 0 GEADRO c1ccc(N2CC[C@H]([NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)C2)cc1 ZINC000823786739 607047033 /nfs/dbraw/zinc/04/70/33/607047033.db2.gz DMINCXKWVIXVBP-SFHVURJKSA-N 1 0 390.495 2.099 20 0 GEADRO COc1ccc(C[C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000821786142 607047104 /nfs/dbraw/zinc/04/71/04/607047104.db2.gz AMHDBDPKKYPZIY-HNNXBMFYSA-N 1 0 393.495 2.460 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820428745 607058707 /nfs/dbraw/zinc/05/87/07/607058707.db2.gz ZJJRLWQZWQIGER-MGPUTAFESA-N 1 0 396.470 2.385 20 0 GEADRO CC(C)n1ccnc1CN1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000820214592 607063495 /nfs/dbraw/zinc/06/34/95/607063495.db2.gz KCOVOSPMLZDGDM-UHFFFAOYSA-N 1 0 398.490 2.491 20 0 GEADRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822496466 607092367 /nfs/dbraw/zinc/09/23/67/607092367.db2.gz NQYZQIHALBCMAH-KRWDZBQOSA-N 1 0 380.456 2.074 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNc2cc(-c3nn[nH]n3)ccc2C(F)(F)F)CC1 ZINC000821266417 607226956 /nfs/dbraw/zinc/22/69/56/607226956.db2.gz CGNQWKDBZQQPJV-LBPRGKRZSA-N 1 0 383.422 2.323 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)[NH+](C)C)cc1 ZINC000822230599 607233745 /nfs/dbraw/zinc/23/37/45/607233745.db2.gz LGCBRHQBCYPVEA-OAHLLOKOSA-N 1 0 385.859 2.256 20 0 GEADRO O=S(=O)(CC[NH2+]C1(c2ccccc2)CCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485506 607830274 /nfs/dbraw/zinc/83/02/74/607830274.db2.gz SXRWBIQDFWKTOO-UHFFFAOYSA-N 1 0 383.477 2.309 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(c2ccccn2)CC1 ZINC000824047102 607830514 /nfs/dbraw/zinc/83/05/14/607830514.db2.gz XIHFMFIMHWPUDJ-AWEZNQCLSA-N 1 0 377.452 2.468 20 0 GEADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000825459030 607835015 /nfs/dbraw/zinc/83/50/15/607835015.db2.gz HDOAKMWVYKTVPY-SNVBAGLBSA-N 1 0 383.378 2.443 20 0 GEADRO CSCC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1nnc2ccccn21 ZINC000826228192 607908771 /nfs/dbraw/zinc/90/87/71/607908771.db2.gz HYWFBDOBZBVERT-HNNXBMFYSA-N 1 0 380.481 2.493 20 0 GEADRO CC[C@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212949 607942361 /nfs/dbraw/zinc/94/23/61/607942361.db2.gz VDBFOSAXARNDKB-GJZGRUSLSA-N 1 0 387.488 2.387 20 0 GEADRO CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000825251465 607992668 /nfs/dbraw/zinc/99/26/68/607992668.db2.gz BNHJDMWQMIVPMH-CYBMUJFWSA-N 1 0 378.864 2.350 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826029108 608006982 /nfs/dbraw/zinc/00/69/82/608006982.db2.gz OIUXQMXFMKXIRH-QUCCMNQESA-N 1 0 376.464 2.361 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)[C@@H]1c1ccccc1 ZINC000826029618 608007013 /nfs/dbraw/zinc/00/70/13/608007013.db2.gz UWVJURPLTOWBAL-HOCLYGCPSA-N 1 0 383.843 2.090 20 0 GEADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000825492987 608011925 /nfs/dbraw/zinc/01/19/25/608011925.db2.gz JDUKQPAHXNVSFI-QWHCGFSZSA-N 1 0 383.374 2.463 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826077199 608021305 /nfs/dbraw/zinc/02/13/05/608021305.db2.gz DFGLFRZTZASYML-LLVKDONJSA-N 1 0 386.435 2.013 20 0 GEADRO Cc1oc(-c2ccccc2)nc1C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000826340186 608035019 /nfs/dbraw/zinc/03/50/19/608035019.db2.gz MCMNGMWUXLARPS-UHFFFAOYSA-N 1 0 393.455 2.200 20 0 GEADRO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC000826188180 608064383 /nfs/dbraw/zinc/06/43/83/608064383.db2.gz POYABQWNWGDFQR-QUCCMNQESA-N 1 0 380.452 2.142 20 0 GEADRO 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DTXRWAPZFGHACQ-RDTXWAMCSA-N 1 0 381.484 2.006 20 0 GEADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)CC1 ZINC000825855536 608430697 /nfs/dbraw/zinc/43/06/97/608430697.db2.gz HKIFOJDWEDICAZ-UHFFFAOYSA-N 1 0 392.467 2.044 20 0 GEADRO COc1ccc([C@H](CCO)[NH2+]CCCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826188821 608431862 /nfs/dbraw/zinc/43/18/62/608431862.db2.gz HPJLVGQEPZDUAD-IBGZPJMESA-N 1 0 383.452 2.358 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1F ZINC000824571488 608433480 /nfs/dbraw/zinc/43/34/80/608433480.db2.gz QVNZJLKPNLYLKP-DGCLKSJQSA-N 1 0 375.379 2.235 20 0 GEADRO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825653829 608438348 /nfs/dbraw/zinc/43/83/48/608438348.db2.gz KQTRAEXQZXMABF-GDBMZVCRSA-N 1 0 383.452 2.356 20 0 GEADRO CC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1ccccc1OCC(=O)NC ZINC000825147252 608457805 /nfs/dbraw/zinc/45/78/05/608457805.db2.gz GVNPAKLPBRARDX-MRXNPFEDSA-N 1 0 398.442 2.372 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000824569825 608474138 /nfs/dbraw/zinc/47/41/38/608474138.db2.gz KKRSZOFYDPLCQZ-FZKQIMNGSA-N 1 0 394.435 2.208 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000824569828 608474520 /nfs/dbraw/zinc/47/45/20/608474520.db2.gz KKRSZOFYDPLCQZ-SCLBCKFNSA-N 1 0 394.435 2.208 20 0 GEADRO Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826296648 608482805 /nfs/dbraw/zinc/48/28/05/608482805.db2.gz DVUOGAURCFGOKK-INIZCTEOSA-N 1 0 394.479 2.329 20 0 GEADRO COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826207001 608491311 /nfs/dbraw/zinc/49/13/11/608491311.db2.gz VXGZBVRWKAFNGD-KBXCAEBGSA-N 1 0 383.452 2.104 20 0 GEADRO Cc1cccc(OCCNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826300503 608491439 /nfs/dbraw/zinc/49/14/39/608491439.db2.gz XJCFYPYPKRSQPM-HNNXBMFYSA-N 1 0 380.452 2.021 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCc2ccccc2C1 ZINC000824529359 608491894 /nfs/dbraw/zinc/49/18/94/608491894.db2.gz GKEHSLZQENSQJC-GJZGRUSLSA-N 1 0 376.464 2.491 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824569014 608493346 /nfs/dbraw/zinc/49/33/46/608493346.db2.gz FSYSKRCJMBFSBN-BBRMVZONSA-N 1 0 378.436 2.439 20 0 GEADRO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)cn1 ZINC000826362576 608515130 /nfs/dbraw/zinc/51/51/30/608515130.db2.gz YWVFRYXTWIKLHP-QFBILLFUSA-N 1 0 378.484 2.236 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1-n1cccn1 ZINC000824569375 608517704 /nfs/dbraw/zinc/51/77/04/608517704.db2.gz HJJBICHZJZRJMX-AUUYWEPGSA-N 1 0 375.436 2.437 20 0 GEADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000826517861 608518711 /nfs/dbraw/zinc/51/87/11/608518711.db2.gz QYILBDMRFIAJRK-XUVXKRRUSA-N 1 0 382.512 2.477 20 0 GEADRO 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ZINC000824936625 608528670 /nfs/dbraw/zinc/52/86/70/608528670.db2.gz KMPKVLDKBYEKGV-CRAIPNDOSA-N 1 0 398.511 2.157 20 0 GEADRO COc1ccc(COC[C@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826206733 608532194 /nfs/dbraw/zinc/53/21/94/608532194.db2.gz JBTFHJLWGDNAIY-GOSISDBHSA-N 1 0 395.463 2.032 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1cccc2nsnc21 ZINC000826412638 608533384 /nfs/dbraw/zinc/53/33/84/608533384.db2.gz WPXAXACIKNLNKQ-UHFFFAOYSA-N 1 0 392.448 2.089 20 0 GEADRO CC(C)([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000824165838 608549703 /nfs/dbraw/zinc/54/97/03/608549703.db2.gz BFRGUFQFDDDLOS-CQSZACIVSA-N 1 0 389.406 2.410 20 0 GEADRO CCCC[N@H+](CCCO)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825285105 608562096 /nfs/dbraw/zinc/56/20/96/608562096.db2.gz JQCDLLMHUZPZQE-LBPRGKRZSA-N 1 0 392.529 2.228 20 0 GEADRO Cn1cc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c(C(C)(C)C)n1 ZINC000826361271 608581159 /nfs/dbraw/zinc/58/11/59/608581159.db2.gz RECJUMQLESDHSF-UHFFFAOYSA-N 1 0 380.500 2.220 20 0 GEADRO COc1ccc([C@H](C)C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000826187938 608581716 /nfs/dbraw/zinc/58/17/16/608581716.db2.gz IZDQDRAJDLYANA-OAHLLOKOSA-N 1 0 379.468 2.196 20 0 GEADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(c2cccnc2)CC1 ZINC000824045151 608583716 /nfs/dbraw/zinc/58/37/16/608583716.db2.gz HEQKLMKDGSSOSO-CQSZACIVSA-N 1 0 377.452 2.468 20 0 GEADRO O=C(CC[NH+]1CCC(c2cccnc2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407731 608583955 /nfs/dbraw/zinc/58/39/55/608583955.db2.gz YEAYYVWWIUSIRP-UHFFFAOYSA-N 1 0 377.452 2.470 20 0 GEADRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826060680 608608858 /nfs/dbraw/zinc/60/88/58/608608858.db2.gz QPJGAYHDWQFTIW-LJQANCHMSA-N 1 0 392.463 2.156 20 0 GEADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H](c1cccs1)N1CCOCC1 ZINC000825961571 608688134 /nfs/dbraw/zinc/68/81/34/608688134.db2.gz JBDRKUGYCNRLGM-CQSZACIVSA-N 1 0 390.538 2.495 20 0 GEADRO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826333920 608690604 /nfs/dbraw/zinc/69/06/04/608690604.db2.gz ZKUVTKRMPQKCJV-MRXNPFEDSA-N 1 0 377.456 2.202 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1 ZINC000446362880 649978649 /nfs/dbraw/zinc/97/86/49/649978649.db2.gz LDPIVUSUMAGINA-JSGCOSHPSA-N 1 0 383.773 2.448 20 0 GEADRO CCc1ccc(O)c(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825718036 608759487 /nfs/dbraw/zinc/75/94/87/608759487.db2.gz UGMDVTNWEHKUNP-UHFFFAOYSA-N 1 0 394.479 2.339 20 0 GEADRO C[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC12CCC2 ZINC000824953285 608874026 /nfs/dbraw/zinc/87/40/26/608874026.db2.gz DEVXVXWSBRGFMR-XJKSGUPXSA-N 1 0 380.452 2.011 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824991830 609133437 /nfs/dbraw/zinc/13/34/37/609133437.db2.gz HMRNGZWBTZPVLR-ZIAGYGMSSA-N 1 0 397.458 2.477 20 0 GEADRO COc1cccc(N2C[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)CC2=O)c1 ZINC000826216742 609140273 /nfs/dbraw/zinc/14/02/73/609140273.db2.gz LSZTZHOVQSLDDP-OCCSQVGLSA-N 1 0 396.426 2.471 20 0 GEADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)CC1 ZINC000824957430 609193365 /nfs/dbraw/zinc/19/33/65/609193365.db2.gz XQMMCTOHIGYQFG-UHFFFAOYSA-N 1 0 379.468 2.357 20 0 GEADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000824985341 609225305 /nfs/dbraw/zinc/22/53/05/609225305.db2.gz VRNGDJSHZMTJMN-ZIAGYGMSSA-N 1 0 379.468 2.081 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000824469783 609284876 /nfs/dbraw/zinc/28/48/76/609284876.db2.gz BZWNNDUKLHRKQA-KDOFPFPSSA-N 1 0 384.484 2.037 20 0 GEADRO C[C@@H](NC(=O)COc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477663 609284951 /nfs/dbraw/zinc/28/49/51/609284951.db2.gz BYFXENGDAMLCIS-GDBMZVCRSA-N 1 0 384.484 2.015 20 0 GEADRO CC[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)[NH+](CC)CC ZINC000825039587 609288755 /nfs/dbraw/zinc/28/87/55/609288755.db2.gz UZZHOENNMQGOBF-ZDUSSCGKSA-N 1 0 386.435 2.250 20 0 GEADRO C[C@H](NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000824488253 609316570 /nfs/dbraw/zinc/31/65/70/609316570.db2.gz DRMCRUVNXYWRSV-HNNXBMFYSA-N 1 0 393.495 2.316 20 0 GEADRO CN(C)C1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC000825850689 609335358 /nfs/dbraw/zinc/33/53/58/609335358.db2.gz QKPNIXIHHAHIPD-UHFFFAOYSA-N 1 0 380.500 2.231 20 0 GEADRO Cn1cc(C[NH2+]C[C@@](C)(O)c2cccs2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360958 609340029 /nfs/dbraw/zinc/34/00/29/609340029.db2.gz DVAXEIWXWKRHRH-LJQANCHMSA-N 1 0 395.492 2.326 20 0 GEADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824466318 609344997 /nfs/dbraw/zinc/34/49/97/609344997.db2.gz WHXHGRRFHRSHKU-OLZOCXBDSA-N 1 0 393.426 2.455 20 0 GEADRO C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000824909141 609351208 /nfs/dbraw/zinc/35/12/08/609351208.db2.gz SSYYIBAUWBNAKS-UPJWGTAASA-N 1 0 398.446 2.391 20 0 GEADRO CC(C)Oc1ccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1-c1nn[nH]n1 ZINC000824328849 609352607 /nfs/dbraw/zinc/35/26/07/609352607.db2.gz BYLFGNQNOXMWNE-ZDUSSCGKSA-N 1 0 385.472 2.426 20 0 GEADRO CN(Cc1ccc(-c2nn[nH]n2)cc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000826029162 609362849 /nfs/dbraw/zinc/36/28/49/609362849.db2.gz PTXHSXNHNQCDEY-LBPRGKRZSA-N 1 0 379.306 2.403 20 0 GEADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000823821319 609365299 /nfs/dbraw/zinc/36/52/99/609365299.db2.gz SKXZRPIAANGAGH-CQSZACIVSA-N 1 0 377.290 2.299 20 0 GEADRO Cn1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360313 609369502 /nfs/dbraw/zinc/36/95/02/609369502.db2.gz FXPSWTBSMXURRF-OAHLLOKOSA-N 1 0 389.410 2.471 20 0 GEADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H]1F ZINC000824953520 609373701 /nfs/dbraw/zinc/37/37/01/609373701.db2.gz FDCGLOJAHSBTOH-ZYHUDNBSSA-N 1 0 378.477 2.425 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1-c1nn[nH]n1 ZINC000826332233 609379453 /nfs/dbraw/zinc/37/94/53/609379453.db2.gz NSUJXVFOQCZZRG-QAPCUYQASA-N 1 0 381.484 2.344 20 0 GEADRO C[NH+](C)CC[C@@H](N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(C)(C)C ZINC000825860801 609407794 /nfs/dbraw/zinc/40/77/94/609407794.db2.gz XEAVKULCUDJVCE-QZTJIDSGSA-N 1 0 399.543 2.318 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(C)C ZINC000825583278 609417057 /nfs/dbraw/zinc/41/70/57/609417057.db2.gz SUCPQVBVXDMZCM-BRWVUGGUSA-N 1 0 384.484 2.155 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ncc1Br ZINC000446476054 649981672 /nfs/dbraw/zinc/98/16/72/649981672.db2.gz GKPRRXCCHJUVJI-CHWSQXEVSA-N 1 0 397.317 2.470 20 0 GEADRO Cc1c(Cl)cnc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1-c1nn[nH]n1 ZINC000826239051 609577453 /nfs/dbraw/zinc/57/74/53/609577453.db2.gz WWIXYTMYQIXINM-KGLIPLIRSA-N 1 0 377.880 2.279 20 0 GEADRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCO1 ZINC000824215536 609600743 /nfs/dbraw/zinc/60/07/43/609600743.db2.gz LCZQYEFWVLMIRM-NJAFHUGGSA-N 1 0 384.484 2.155 20 0 GEADRO C[C@@H](SCC[NH+](C)C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000446564010 649983698 /nfs/dbraw/zinc/98/36/98/649983698.db2.gz IMOOOABMWZQUIN-LLVKDONJSA-N 1 0 393.962 2.212 20 0 GEADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000447245083 650003304 /nfs/dbraw/zinc/00/33/04/650003304.db2.gz LCLINLGQYOIWNS-ZETCQYMHSA-N 1 0 375.210 2.484 20 0 GEADRO C[C@H](C[NH3+])C[N-]S(=O)(=O)c1scc(Br)c1Br ZINC000447250607 650003638 /nfs/dbraw/zinc/00/36/38/650003638.db2.gz NKLIGMHQTDXQOG-RXMQYKEDSA-N 1 0 392.138 2.146 20 0 GEADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000447608332 650007540 /nfs/dbraw/zinc/00/75/40/650007540.db2.gz VCYIOSWRISDGQJ-VBNZEHGJSA-N 1 0 379.444 2.200 20 0 GEADRO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000447811139 650008816 /nfs/dbraw/zinc/00/88/16/650008816.db2.gz CWDDTSFSTIMFOY-UHFFFAOYSA-N 1 0 399.248 2.483 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@H]1[NH+](C)C ZINC000447868398 650009923 /nfs/dbraw/zinc/00/99/23/650009923.db2.gz JSGGAXOYZIBXIH-DGCLKSJQSA-N 1 0 384.445 2.093 20 0 GEADRO C[NH+]1CCN(CCNC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000448621720 650018354 /nfs/dbraw/zinc/01/83/54/650018354.db2.gz LBGCCZYZAVJFOH-UHFFFAOYSA-N 1 0 383.265 2.047 20 0 GEADRO COC(=O)C1(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000448526400 650016510 /nfs/dbraw/zinc/01/65/10/650016510.db2.gz ZPLZEBITYGXCSX-LBPRGKRZSA-N 1 0 396.285 2.448 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[NH+](C(C)C)CC1 ZINC000449011259 650029702 /nfs/dbraw/zinc/02/97/02/650029702.db2.gz YLIOKLLEWLMVAI-AWEZNQCLSA-N 1 0 398.345 2.488 20 0 GEADRO COC(=O)COC[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000449086264 650031547 /nfs/dbraw/zinc/03/15/47/650031547.db2.gz BPKBJMZJOVULML-QWRGUYRKSA-N 1 0 388.258 2.449 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]CC2(c3cccc(Br)c3)CCC2)nn1 ZINC000449087832 650031550 /nfs/dbraw/zinc/03/15/50/650031550.db2.gz XASONVOLLUNNJV-UHFFFAOYSA-N 1 0 393.285 2.425 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449216991 650034604 /nfs/dbraw/zinc/03/46/04/650034604.db2.gz WJUBUVUZNBTDFW-INIZCTEOSA-N 1 0 379.551 2.299 20 0 GEADRO COC(=O)CC1([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CCS(=O)(=O)CC1 ZINC000449268971 650036949 /nfs/dbraw/zinc/03/69/49/650036949.db2.gz KSOQPBRVTXAHCZ-GFCCVEGCSA-N 1 0 375.437 2.168 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000449279615 650037253 /nfs/dbraw/zinc/03/72/53/650037253.db2.gz RPRGAWOPWYQUGO-MFKMUULPSA-N 1 0 375.252 2.266 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000449305537 650038121 /nfs/dbraw/zinc/03/81/21/650038121.db2.gz HADUGNPCUQDXOH-GXFFZTMASA-N 1 0 379.295 2.396 20 0 GEADRO C[C@@H]1C[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)[C@H](C)O1 ZINC000449319038 650038270 /nfs/dbraw/zinc/03/82/70/650038270.db2.gz XPUYWBDNPFLSMS-MBNYWOFBSA-N 1 0 391.331 2.273 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000449319543 650038296 /nfs/dbraw/zinc/03/82/96/650038296.db2.gz KMGWPVPLJVFIOU-SGMGOOAPSA-N 1 0 391.331 2.191 20 0 GEADRO COCCOc1ccccc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000449373814 650039177 /nfs/dbraw/zinc/03/91/77/650039177.db2.gz CXIWERXGCBVOSG-UHFFFAOYSA-N 1 0 381.270 2.426 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449682137 650045334 /nfs/dbraw/zinc/04/53/34/650045334.db2.gz KZKQSEUERUOPTC-YPMHNXCESA-N 1 0 396.322 2.152 20 0 GEADRO COc1cc(Br)c(CNC[C@@H]2CCC[N@@H+]2CCCO)c(OC)c1 ZINC000449384780 650039508 /nfs/dbraw/zinc/03/95/08/650039508.db2.gz CMSLCRNIWYISFZ-ZDUSSCGKSA-N 1 0 387.318 2.403 20 0 GEADRO COc1cc(C[NH2+]CCn2cc(Br)ccc2=O)cc2c1OCO2 ZINC000449380334 650039535 /nfs/dbraw/zinc/03/95/35/650039535.db2.gz WFBKIHSLXDFPLS-UHFFFAOYSA-N 1 0 381.226 2.138 20 0 GEADRO O=c1ccc(Br)cn1CC[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000449381652 650039581 /nfs/dbraw/zinc/03/95/81/650039581.db2.gz ZDYOVKMHQSXXEU-UHFFFAOYSA-N 1 0 391.313 2.260 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCCN3CCCO)cnc12 ZINC000449389361 650039995 /nfs/dbraw/zinc/03/99/95/650039995.db2.gz SDFRKCKDFQPOAL-OAHLLOKOSA-N 1 0 381.318 2.342 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000449440237 650040830 /nfs/dbraw/zinc/04/08/30/650040830.db2.gz BBBZHSBJMMIVJD-ZYHUDNBSSA-N 1 0 381.311 2.437 20 0 GEADRO CC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449686849 650045541 /nfs/dbraw/zinc/04/55/41/650045541.db2.gz YHAGIXBFWRZGNJ-AWEZNQCLSA-N 1 0 387.293 2.340 20 0 GEADRO C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449602094 650043915 /nfs/dbraw/zinc/04/39/15/650043915.db2.gz STJFJNXWISKLCU-VXGBXAGGSA-N 1 0 375.282 2.196 20 0 GEADRO COc1nccnc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449603324 650043959 /nfs/dbraw/zinc/04/39/59/650043959.db2.gz VVEFVNZRPCKYGP-NSHDSACASA-N 1 0 384.249 2.328 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2c(C)cnn2C)cc1Br ZINC000449605356 650044099 /nfs/dbraw/zinc/04/40/99/650044099.db2.gz ZEBIBDCGJJJTIK-CQSZACIVSA-N 1 0 382.302 2.440 20 0 GEADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2nn(C)cc2I)[C@H]1C ZINC000449607789 650044521 /nfs/dbraw/zinc/04/45/21/650044521.db2.gz ZLOQGYUPJXTBMF-JBLDHEPKSA-N 1 0 391.253 2.092 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1nccnc1OC ZINC000449677389 650044767 /nfs/dbraw/zinc/04/47/67/650044767.db2.gz ARAPISFNQSAZEJ-LBPRGKRZSA-N 1 0 396.285 2.197 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000449710294 650046950 /nfs/dbraw/zinc/04/69/50/650046950.db2.gz ABUDSTPZHMGEJJ-UHOFOFEASA-N 1 0 394.313 2.297 20 0 GEADRO [NH3+]CC[C@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(F)(F)F ZINC000449714254 650047099 /nfs/dbraw/zinc/04/70/99/650047099.db2.gz BVHBTWOQIGWIHX-AWEZNQCLSA-N 1 0 378.416 2.412 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000449714747 650047200 /nfs/dbraw/zinc/04/72/00/650047200.db2.gz HTHRUZMNKMOCDV-OSAQELSMSA-N 1 0 380.286 2.046 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000449716099 650047472 /nfs/dbraw/zinc/04/74/72/650047472.db2.gz KLORGASDTNTDCC-NWDGAFQWSA-N 1 0 399.563 2.145 20 0 GEADRO C[N@H+](Cc1cnc(N2CCOCC2)s1)C1CCN(CC(F)(F)F)CC1 ZINC000449760361 650049199 /nfs/dbraw/zinc/04/91/99/650049199.db2.gz NZIREAWAYFDAJX-UHFFFAOYSA-N 1 0 378.464 2.438 20 0 GEADRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000449755576 650049240 /nfs/dbraw/zinc/04/92/40/650049240.db2.gz OSMABKPRZWSOTI-SFYZADRCSA-N 1 0 380.176 2.313 20 0 GEADRO Cc1ccc(Br)cc1CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000449948242 650056565 /nfs/dbraw/zinc/05/65/65/650056565.db2.gz LJZYQDHAGGEXEZ-HNNXBMFYSA-N 1 0 381.314 2.481 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(I)cc2F)C[C@@H]1[NH+](C)C ZINC000449987860 650057741 /nfs/dbraw/zinc/05/77/41/650057741.db2.gz RARIXPGVSOVSTJ-RNCFNFMXSA-N 1 0 376.213 2.452 20 0 GEADRO CN(C)C(=O)C[NH+]1CCC(Nc2ncnc3cc(Br)ccc32)CC1 ZINC000450333273 650064063 /nfs/dbraw/zinc/06/40/63/650064063.db2.gz ZAQDKRFFWUOPNY-UHFFFAOYSA-N 1 0 392.301 2.357 20 0 GEADRO C[C@@H](O)C(=O)N1CCN(c2ccnc3cc(F)c(Br)cc32)CC1 ZINC000450408621 650064760 /nfs/dbraw/zinc/06/47/60/650064760.db2.gz JEXYRGQINWJSHH-SNVBAGLBSA-N 1 0 382.233 2.166 20 0 GEADRO O=C1N=NC(C2CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)O1 ZINC000450912202 650075100 /nfs/dbraw/zinc/07/51/00/650075100.db2.gz GBXQJQALPJJVDG-ZDUSSCGKSA-N 1 0 398.257 2.157 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000451057598 650082464 /nfs/dbraw/zinc/08/24/64/650082464.db2.gz UEDRSBWJHIUEGD-GJZGRUSLSA-N 1 0 386.901 2.340 20 0 GEADRO CN(CCN(C)S(=O)(=O)C[C@H]1CCCCC1(F)F)C1CC[NH+](C)CC1 ZINC000451091936 650085175 /nfs/dbraw/zinc/08/51/75/650085175.db2.gz KVAKOHBVFGMCDF-OAHLLOKOSA-N 1 0 381.533 2.100 20 0 GEADRO CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451096883 650085769 /nfs/dbraw/zinc/08/57/69/650085769.db2.gz CDQNPDNVWPZTCE-LBPRGKRZSA-N 1 0 379.295 2.492 20 0 GEADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000451199831 650095933 /nfs/dbraw/zinc/09/59/33/650095933.db2.gz XHBTXBNSUGQRNG-GFCCVEGCSA-N 1 0 377.279 2.198 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000451245245 650098067 /nfs/dbraw/zinc/09/80/67/650098067.db2.gz OTBBYSQDKYPVIJ-AWEZNQCLSA-N 1 0 391.940 2.172 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000451250782 650098155 /nfs/dbraw/zinc/09/81/55/650098155.db2.gz XVACKPAUKBQXLB-CMPLNLGQSA-N 1 0 379.295 2.490 20 0 GEADRO CC(C)[NH+](CCCNS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(C)C ZINC000451269600 650099685 /nfs/dbraw/zinc/09/96/85/650099685.db2.gz HFJKYHBDPYDADO-UHFFFAOYSA-N 1 0 390.571 2.018 20 0 GEADRO CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451194796 650095484 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GEADRO COC(=O)Cn1cc(CC[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)nn1 ZINC000451563644 650125508 /nfs/dbraw/zinc/12/55/08/650125508.db2.gz FCEWLOHPHBKECU-AWEZNQCLSA-N 1 0 393.285 2.246 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(Br)c3)C[C@@H]21 ZINC000451878625 650149462 /nfs/dbraw/zinc/14/94/62/650149462.db2.gz NFCSBKWUFROJDQ-RNCFNFMXSA-N 1 0 379.707 2.427 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000452048278 650168843 /nfs/dbraw/zinc/16/88/43/650168843.db2.gz MKIJYZCRIGNJOD-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000452045809 650168858 /nfs/dbraw/zinc/16/88/58/650168858.db2.gz GUOWYWSXBTWKKL-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO C[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C1CCN(CCC(F)(F)F)CC1 ZINC000452125146 650175176 /nfs/dbraw/zinc/17/51/76/650175176.db2.gz YJVYLLKHGPVZLP-GFCCVEGCSA-N 1 0 375.357 2.498 20 0 GEADRO O=C(CCc1cccc(F)c1Br)NC[C@H]1CCC[N@H+]1CCCO ZINC000452342856 650180371 /nfs/dbraw/zinc/18/03/71/650180371.db2.gz JANJUDKVCTUSAD-CQSZACIVSA-N 1 0 387.293 2.484 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000452343298 650180428 /nfs/dbraw/zinc/18/04/28/650180428.db2.gz KJTHCRPBABEDIP-OAHLLOKOSA-N 1 0 384.318 2.092 20 0 GEADRO COc1ccc(CCC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1Br ZINC000452349959 650180726 /nfs/dbraw/zinc/18/07/26/650180726.db2.gz NQQNIFYBZLOTNN-HNNXBMFYSA-N 1 0 399.329 2.353 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000452393763 650184267 /nfs/dbraw/zinc/18/42/67/650184267.db2.gz UBBMWDNRWGZFNH-HUUCEWRRSA-N 1 0 399.329 2.488 20 0 GEADRO Cn1cc(Br)c(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000452757233 650196302 /nfs/dbraw/zinc/19/63/02/650196302.db2.gz REGQTUHGXPBQBV-INIZCTEOSA-N 1 0 377.286 2.463 20 0 GEADRO Cc1ccc(OCCC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000452798127 650198050 /nfs/dbraw/zinc/19/80/50/650198050.db2.gz QZQXDCHGZMJUQK-OAHLLOKOSA-N 1 0 399.329 2.489 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(I)c(F)cc3F)C[C@@H]21 ZINC000452982307 650202259 /nfs/dbraw/zinc/20/22/59/650202259.db2.gz YDGQTPVYQZYNFV-OQPBUACISA-N 1 0 392.187 2.346 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1ccncn1 ZINC000453094524 650205607 /nfs/dbraw/zinc/20/56/07/650205607.db2.gz PYLNLAKNSFNHMU-AAEUAGOBSA-N 1 0 399.232 2.172 20 0 GEADRO C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)c(I)c1 ZINC000453193412 650206586 /nfs/dbraw/zinc/20/65/86/650206586.db2.gz HTVSYFVCEFWCAU-YGRLFVJLSA-N 1 0 378.229 2.148 20 0 GEADRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000453184407 650206706 /nfs/dbraw/zinc/20/67/06/650206706.db2.gz ZSYLWIBYFSUPQV-XJKSGUPXSA-N 1 0 382.917 2.034 20 0 GEADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1ccncn1 ZINC000453204739 650207016 /nfs/dbraw/zinc/20/70/16/650207016.db2.gz DCSOBXAZNWQEHG-LBPRGKRZSA-N 1 0 399.314 2.258 20 0 GEADRO CC[C@@H]([NH2+]CC[C@@](C)(O)COC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453246723 650207348 /nfs/dbraw/zinc/20/73/48/650207348.db2.gz CZWCQICHHNWLHT-GDBMZVCRSA-N 1 0 378.922 2.076 20 0 GEADRO CC[C@@H]([NH2+]CC[C@](C)(O)COC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453246730 650207360 /nfs/dbraw/zinc/20/73/60/650207360.db2.gz CZWCQICHHNWLHT-ZBFHGGJFSA-N 1 0 378.922 2.076 20 0 GEADRO COC[C@](C)(O)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453267422 650207395 /nfs/dbraw/zinc/20/73/95/650207395.db2.gz YNTINESOAINOAE-DZGCQCFKSA-N 1 0 392.315 2.045 20 0 GEADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000453279690 650207873 /nfs/dbraw/zinc/20/78/73/650207873.db2.gz QNJIDVLNKPCMCX-APPDUMDISA-N 1 0 384.498 2.458 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000453281331 650207912 /nfs/dbraw/zinc/20/79/12/650207912.db2.gz KWYCBQJKGRRXDN-QMTHXVAHSA-N 1 0 379.295 2.493 20 0 GEADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453312645 650207949 /nfs/dbraw/zinc/20/79/49/650207949.db2.gz HDRAAFSEKXESHG-ISTVAULSSA-N 1 0 397.324 2.343 20 0 GEADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000453283120 650207997 /nfs/dbraw/zinc/20/79/97/650207997.db2.gz MDRIYYZDCLAAAL-GXFFZTMASA-N 1 0 396.294 2.270 20 0 GEADRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453377453 650208832 /nfs/dbraw/zinc/20/88/32/650208832.db2.gz XLMCAFFTENCXFJ-RBSFLKMASA-N 1 0 376.906 2.093 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000453614269 650210597 /nfs/dbraw/zinc/21/05/97/650210597.db2.gz UXRHOHPDHSVMSG-LLVKDONJSA-N 1 0 383.290 2.082 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000453645703 650211837 /nfs/dbraw/zinc/21/18/37/650211837.db2.gz XZIFCPRPPXJDTM-LBPRGKRZSA-N 1 0 397.317 2.328 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Br)cnc2C)CC1 ZINC000453654234 650212988 /nfs/dbraw/zinc/21/29/88/650212988.db2.gz NXCYKNLQOJSFIE-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000453670169 650214174 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COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000454087744 650252012 /nfs/dbraw/zinc/25/20/12/650252012.db2.gz HEBYQJKIXCAVFC-ZDUSSCGKSA-N 1 0 398.301 2.337 20 0 GEADRO C[C@@H](CNC(=O)NCCc1ccc(I)s1)[NH+](C)C ZINC000454457501 650266837 /nfs/dbraw/zinc/26/68/37/650266837.db2.gz WDPGBFQLHXVHRI-VIFPVBQESA-N 1 0 381.283 2.145 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000454495914 650268130 /nfs/dbraw/zinc/26/81/30/650268130.db2.gz YJVDSLVNHPEZNV-NVXWUHKLSA-N 1 0 395.345 2.194 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000454495917 650268183 /nfs/dbraw/zinc/26/81/83/650268183.db2.gz YJVDSLVNHPEZNV-RDJZCZTQSA-N 1 0 395.345 2.194 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H](C)[NH+](C)C)nc12 ZINC000454791883 650278790 /nfs/dbraw/zinc/27/87/90/650278790.db2.gz YGCOLWDUHVQNNC-LBPRGKRZSA-N 1 0 382.306 2.197 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)NC/C=C\c2ccc(Br)cc2)n1 ZINC000454864886 650280928 /nfs/dbraw/zinc/28/09/28/650280928.db2.gz RBUVPLRDRTUSTH-ARJAWSKDSA-N 1 0 392.301 3.042 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc(Br)c4)C3)C[C@@H]21 ZINC000454882385 650281944 /nfs/dbraw/zinc/28/19/44/650281944.db2.gz BMRZNBAYFPTIEQ-UNEWFSDZSA-N 1 0 393.329 2.373 20 0 GEADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455553172 650307850 /nfs/dbraw/zinc/30/78/50/650307850.db2.gz MBRVNQOEKWEJJZ-ARFHVFGLSA-N 1 0 394.313 2.009 20 0 GEADRO Cc1csc([C@H](NC(=O)NCC2CC[NH+](CCO)CC2)C(F)(F)F)n1 ZINC000455688336 650312773 /nfs/dbraw/zinc/31/27/73/650312773.db2.gz RVSIZKCCJTUSAD-LBPRGKRZSA-N 1 0 380.436 2.058 20 0 GEADRO Cc1csc([C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C(F)(F)F)n1 ZINC000455694552 650313194 /nfs/dbraw/zinc/31/31/94/650313194.db2.gz FDZOWJKXDXRWOT-RYUDHWBXSA-N 1 0 380.436 2.201 20 0 GEADRO C[C@@H](CCNC(=O)Nc1nnc2ccc(Br)cn21)[NH+]1CCCCC1 ZINC000455752736 650316040 /nfs/dbraw/zinc/31/60/40/650316040.db2.gz IVJJBVRBTCKRBS-LBPRGKRZSA-N 1 0 395.305 2.878 20 0 GEADRO CC(C)(CNC(=O)Nc1nnc2ccc(Br)cn21)[NH+]1CCCCC1 ZINC000455762272 650316692 /nfs/dbraw/zinc/31/66/92/650316692.db2.gz OTLUVGPWEHXZNI-UHFFFAOYSA-N 1 0 395.305 2.878 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc3cc(Br)ccn3n2)C[C@H]1C ZINC000455856725 650321952 /nfs/dbraw/zinc/32/19/52/650321952.db2.gz HHRXXZXZEWSEPD-YPMHNXCESA-N 1 0 395.305 2.828 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000455823305 650320046 /nfs/dbraw/zinc/32/00/46/650320046.db2.gz MOYHSBSISNFKMS-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(I)cn2)C[C@@H](C)C1 ZINC000456054382 650328893 /nfs/dbraw/zinc/32/88/93/650328893.db2.gz CTNGCAMJCYBGJV-ZOWXZIJZSA-N 1 0 399.276 2.489 20 0 GEADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000456070572 650329307 /nfs/dbraw/zinc/32/93/07/650329307.db2.gz SGCDOTQJZCOIIA-VJUNAUMWSA-N 1 0 381.314 2.466 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000456314742 650336903 /nfs/dbraw/zinc/33/69/03/650336903.db2.gz WCTBCDKRDORHAI-TZMCWYRMSA-N 1 0 382.302 2.422 20 0 GEADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCC(N)=O ZINC000456384241 650338659 /nfs/dbraw/zinc/33/86/59/650338659.db2.gz ZZZACPNWHJKXJX-LBPRGKRZSA-N 1 0 397.317 2.184 20 0 GEADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000456356707 650337812 /nfs/dbraw/zinc/33/78/12/650337812.db2.gz RPXGUIHJHLZDAR-LBPRGKRZSA-N 1 0 386.290 2.057 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc1Br ZINC000456512308 650345948 /nfs/dbraw/zinc/34/59/48/650345948.db2.gz ZXWBELOXSCHKPZ-CWRNSKLLSA-N 1 0 383.330 2.222 20 0 GEADRO O=C(Nc1cccc2c(Br)ccnc12)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000456563950 650348548 /nfs/dbraw/zinc/34/85/48/650348548.db2.gz JECJOSSJZYARMG-OAHLLOKOSA-N 1 0 375.270 2.326 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000457061374 650373692 /nfs/dbraw/zinc/37/36/92/650373692.db2.gz UAYZKBJKSPOUBW-UHFFFAOYSA-N 1 0 396.285 2.384 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000457208627 650373795 /nfs/dbraw/zinc/37/37/95/650373795.db2.gz NVZWIHXSUNBFCT-UHFFFAOYSA-N 1 0 386.237 2.238 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000457049626 650373005 /nfs/dbraw/zinc/37/30/05/650373005.db2.gz KLSWIMFPQGULCQ-UHFFFAOYSA-N 1 0 393.289 2.029 20 0 GEADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000457056341 650373179 /nfs/dbraw/zinc/37/31/79/650373179.db2.gz TWLSRSFWHMGLRF-UHFFFAOYSA-N 1 0 396.289 2.286 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC(C)(C)C[NH+](C)C ZINC000457214700 650374195 /nfs/dbraw/zinc/37/41/95/650374195.db2.gz XNESCSOPAJLUMB-SECBINFHSA-N 1 0 376.320 2.085 20 0 GEADRO COc1cccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1OC(F)F ZINC000500496926 650379484 /nfs/dbraw/zinc/37/94/84/650379484.db2.gz JHOLSQWNDOWTFB-AAEUAGOBSA-N 1 0 378.441 2.104 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000500496953 650379561 /nfs/dbraw/zinc/37/95/61/650379561.db2.gz JKNHWPQCXMNLGY-SMDDNHRTSA-N 1 0 379.295 2.396 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000500570354 650380681 /nfs/dbraw/zinc/38/06/81/650380681.db2.gz LVNHLBHJFMZHJG-BXUZGUMPSA-N 1 0 379.295 2.396 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1Cl ZINC000500507727 650379856 /nfs/dbraw/zinc/37/98/56/650379856.db2.gz KSZWTVQMAYRQRL-INIZCTEOSA-N 1 0 385.961 2.439 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000501078685 650387376 /nfs/dbraw/zinc/38/73/76/650387376.db2.gz QYQJGRVDEDBOKN-UHFFFAOYSA-N 1 0 391.331 2.416 20 0 GEADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC)[C@@H](C)CS(=O)(=O)CC ZINC000500863357 650383607 /nfs/dbraw/zinc/38/36/07/650383607.db2.gz RWBYCRHIJOKHSZ-DLBZAZTESA-N 1 0 375.579 2.496 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC)[C@@H](C)CS(=O)(=O)CC ZINC000500863361 650383630 /nfs/dbraw/zinc/38/36/30/650383630.db2.gz RWBYCRHIJOKHSZ-IRXDYDNUSA-N 1 0 375.579 2.496 20 0 GEADRO O=C(NCc1ccc(Br)s1)NC[C@H]1CCCC[N@H+]1CCO ZINC000457812242 650385316 /nfs/dbraw/zinc/38/53/16/650385316.db2.gz SJJQAWOEAYCJGY-LLVKDONJSA-N 1 0 376.320 2.157 20 0 GEADRO O=C(NCc1cc(Br)cs1)NC[C@H]1CCCC[N@H+]1CCO ZINC000457817588 650385327 /nfs/dbraw/zinc/38/53/27/650385327.db2.gz MKDFENBUWCGNKG-GFCCVEGCSA-N 1 0 376.320 2.157 20 0 GEADRO O=C(CCCOc1ccc(I)cc1)NCC[NH+]1CCC1 ZINC000501049675 650386786 /nfs/dbraw/zinc/38/67/86/650386786.db2.gz CIMLCHJRXRDYKD-UHFFFAOYSA-N 1 0 388.249 2.272 20 0 GEADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000501342620 650390295 /nfs/dbraw/zinc/39/02/95/650390295.db2.gz QOBQMMUQCXTJPD-DZGCQCFKSA-N 1 0 387.318 2.472 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000457976699 650391382 /nfs/dbraw/zinc/39/13/82/650391382.db2.gz AKYPTNCTMNOQHX-KFWWJZLASA-N 1 0 398.345 2.477 20 0 GEADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1cccc(Br)c1 ZINC000458372264 650401076 /nfs/dbraw/zinc/40/10/76/650401076.db2.gz QNFCSPCPWUGNOW-INIZCTEOSA-N 1 0 384.318 2.402 20 0 GEADRO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458165586 650398416 /nfs/dbraw/zinc/39/84/16/650398416.db2.gz ZTBGTQGFSLSWKJ-ZDUSSCGKSA-N 1 0 375.282 2.196 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccs2)ccc1C[NH+](C)C ZINC000458284706 650399579 /nfs/dbraw/zinc/39/95/79/650399579.db2.gz NKRYYYUJRKCLIK-ZDUSSCGKSA-N 1 0 381.523 2.424 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NCC[N@@H+](C)C2CC2)cc1Br ZINC000458386856 650401692 /nfs/dbraw/zinc/40/16/92/650401692.db2.gz NXWXKDBJLAREOI-HNNXBMFYSA-N 1 0 398.345 2.302 20 0 GEADRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000502457314 650406607 /nfs/dbraw/zinc/40/66/07/650406607.db2.gz WCDWLVYLXNTRHC-GOEBONIOSA-N 1 0 388.555 2.064 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000502494167 650407233 /nfs/dbraw/zinc/40/72/33/650407233.db2.gz MFGWDYAPSRZDTG-GZBFAFLISA-N 1 0 379.423 2.046 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458683087 650407590 /nfs/dbraw/zinc/40/75/90/650407590.db2.gz JIZWHHUFHRRMHJ-INIZCTEOSA-N 1 0 384.318 2.404 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458683089 650407654 /nfs/dbraw/zinc/40/76/54/650407654.db2.gz JIZWHHUFHRRMHJ-MRXNPFEDSA-N 1 0 384.318 2.404 20 0 GEADRO C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000458847362 650411544 /nfs/dbraw/zinc/41/15/44/650411544.db2.gz KIQDGXLXXQYGOD-NSHDSACASA-N 1 0 388.281 2.405 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000458870003 650413067 /nfs/dbraw/zinc/41/30/67/650413067.db2.gz VECFQQXMPKPFSP-UHFFFAOYSA-N 1 0 375.922 2.143 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000503197309 650415308 /nfs/dbraw/zinc/41/53/08/650415308.db2.gz IXMWVMKPYPOSPI-HNNXBMFYSA-N 1 0 387.571 2.269 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000459046060 650418166 /nfs/dbraw/zinc/41/81/66/650418166.db2.gz RNBWLVHPELCQOL-AWEZNQCLSA-N 1 0 388.281 2.189 20 0 GEADRO C[C@@H](CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)[NH+](C)C ZINC000459048647 650418289 /nfs/dbraw/zinc/41/82/89/650418289.db2.gz YDNLLTAIXLAKGF-LBPRGKRZSA-N 1 0 387.311 2.411 20 0 GEADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NCCc1cccc(Br)c1 ZINC000459144110 650419511 /nfs/dbraw/zinc/41/95/11/650419511.db2.gz DWPAOQBHDYCMCC-CZUORRHYSA-N 1 0 384.318 2.088 20 0 GEADRO C[C@@H]1CN(C(=O)NCCc2cccc(Br)c2)C[C@H](C)[N@H+]1CCO ZINC000459151312 650419585 /nfs/dbraw/zinc/41/95/85/650419585.db2.gz OTJJMNOYSIPVIH-OKILXGFUSA-N 1 0 384.318 2.088 20 0 GEADRO Cc1cc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1Br ZINC000459168865 650420393 /nfs/dbraw/zinc/42/03/93/650420393.db2.gz GHUCLLRRVOQDCW-KGLIPLIRSA-N 1 0 384.318 2.354 20 0 GEADRO C[C@@H](CNC(=O)Cc1c(F)ccc(Br)c1F)N1CC[NH+](C)CC1 ZINC000503618863 650420561 /nfs/dbraw/zinc/42/05/61/650420561.db2.gz OZEOWNMECIUGSQ-NSHDSACASA-N 1 0 390.272 2.022 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)NCCC[NH+]1CCC(O)CC1 ZINC000503664350 650420914 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NS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000511599887 650539199 /nfs/dbraw/zinc/53/91/99/650539199.db2.gz SNJLTIXQGQJKMO-LLVKDONJSA-N 1 0 394.324 2.323 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000511587719 650539206 /nfs/dbraw/zinc/53/92/06/650539206.db2.gz WTPTZZWTVLPLNZ-LERXQTSPSA-N 1 0 388.249 2.463 20 0 GEADRO Cn1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c(-c2ccc(Cl)s2)n1 ZINC000476030409 650543647 /nfs/dbraw/zinc/54/36/47/650543647.db2.gz WSDXADVRMUJGEZ-UHFFFAOYSA-N 1 0 381.933 2.121 20 0 GEADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000512420571 650547977 /nfs/dbraw/zinc/54/79/77/650547977.db2.gz CCPPCXPWAIXTDW-LBPRGKRZSA-N 1 0 387.311 2.411 20 0 GEADRO COc1ccc(CNCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(Br)c1 ZINC000512112733 650545555 /nfs/dbraw/zinc/54/55/55/650545555.db2.gz FVQJYXUOYYANAY-QGZVFWFLSA-N 1 0 398.345 2.490 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2-n2cncn2)[C@@H](C)C[N@@H+]1C ZINC000512102826 650545560 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Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)COC(C)C)c1 ZINC000513056338 650556943 /nfs/dbraw/zinc/55/69/43/650556943.db2.gz IUKIVFWGCQCVCH-CYBMUJFWSA-N 1 0 393.347 2.439 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C[C@H](C)[N@H+]1C ZINC000513097934 650557737 /nfs/dbraw/zinc/55/77/37/650557737.db2.gz YQVVIHMGCFXUKR-MJBXVCDLSA-N 1 0 394.313 2.353 20 0 GEADRO COC(=O)C[C@@](C)([NH2+]C[C@H](O)Cn1cccn1)c1ccc(Br)cc1 ZINC000513166566 650559178 /nfs/dbraw/zinc/55/91/78/650559178.db2.gz MJGHCOHYIOKBBZ-DOTOQJQBSA-N 1 0 396.285 2.075 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000476825313 650560716 /nfs/dbraw/zinc/56/07/16/650560716.db2.gz SCZQPXJVKDBYEO-SNVBAGLBSA-N 1 0 388.331 2.182 20 0 GEADRO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513965231 650572297 /nfs/dbraw/zinc/57/22/97/650572297.db2.gz VYKQUKKYWQLAQS-NSHDSACASA-N 1 0 394.324 2.145 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000477123248 650569395 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GEADRO CN(CC(=O)N1CCC2(CC[NH2+]CC2)CC1)C(=O)c1ccc(Br)o1 ZINC000477970091 650580579 /nfs/dbraw/zinc/58/05/79/650580579.db2.gz UPTOCLRKKJJYFV-UHFFFAOYSA-N 1 0 398.301 2.106 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000514864044 650581492 /nfs/dbraw/zinc/58/14/92/650581492.db2.gz YDQKUEPAIMYGKW-KRWDZBQOSA-N 1 0 380.330 2.233 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH+](C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000515126104 650586868 /nfs/dbraw/zinc/58/68/68/650586868.db2.gz XANOIKQYJCSXCN-ROUUACIJSA-N 1 0 376.563 2.098 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000515645997 650593306 /nfs/dbraw/zinc/59/33/06/650593306.db2.gz OXLVCFDSTKHVHM-TZMCWYRMSA-N 1 0 388.295 2.359 20 0 GEADRO NC(=O)CC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000515234572 650590254 /nfs/dbraw/zinc/59/02/54/650590254.db2.gz KLCIZABDCOLVHX-LLVKDONJSA-N 1 0 391.693 2.087 20 0 GEADRO C[C@@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)N(C)C1CC1 ZINC000515235046 650590278 /nfs/dbraw/zinc/59/02/78/650590278.db2.gz WWKZYVRODZCWHS-XHDPSFHLSA-N 1 0 375.282 2.400 20 0 GEADRO OCCOC1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000515237715 650590393 /nfs/dbraw/zinc/59/03/93/650590393.db2.gz DKVMRVPFIPVVEX-OAHLLOKOSA-N 1 0 384.314 2.454 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CCO1 ZINC000478713405 650590451 /nfs/dbraw/zinc/59/04/51/650590451.db2.gz MISVTRUQNPZJTO-LLVKDONJSA-N 1 0 379.869 2.454 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N(C)CC[NH+](C)C)CC2=O)ccc1Br ZINC000478738846 650591008 /nfs/dbraw/zinc/59/10/08/650591008.db2.gz ZCEZJJDFMNFJRJ-ZDUSSCGKSA-N 1 0 382.302 2.130 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000515342241 650592020 /nfs/dbraw/zinc/59/20/20/650592020.db2.gz MBUVJVUPJMVTTB-ZDUSSCGKSA-N 1 0 387.311 2.204 20 0 GEADRO CC(=O)N1CCC([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000479321229 650601253 /nfs/dbraw/zinc/60/12/53/650601253.db2.gz JABWJQZVNIHUFN-VIFPVBQESA-N 1 0 394.324 2.302 20 0 GEADRO CC(=O)N1CCC([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000479321228 650601337 /nfs/dbraw/zinc/60/13/37/650601337.db2.gz JABWJQZVNIHUFN-SECBINFHSA-N 1 0 394.324 2.302 20 0 GEADRO CCCNC(=O)CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479339717 650601660 /nfs/dbraw/zinc/60/16/60/650601660.db2.gz BWCGTWVAQIJDCR-SECBINFHSA-N 1 0 382.313 2.208 20 0 GEADRO C[C@H](CNC(=O)NCCCn1cc(Br)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000479381108 650602503 /nfs/dbraw/zinc/60/25/03/650602503.db2.gz JJMARDPPAOTPCN-ZIAGYGMSSA-N 1 0 386.338 2.455 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1)c1ccc(Br)cc1 ZINC000518529638 650605697 /nfs/dbraw/zinc/60/56/97/650605697.db2.gz PYNQFGURVSYPRC-MGPLVRAMSA-N 1 0 395.257 2.118 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000519616067 650609623 /nfs/dbraw/zinc/60/96/23/650609623.db2.gz PGMVBPCCEHSQIW-CYBMUJFWSA-N 1 0 378.274 2.031 20 0 GEADRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ncc(Br)cn1 ZINC000519812998 650613122 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C[C@@]1(c2ccc(C[NH2+]Cc3ccc(Br)cn3)cc2)NC(=O)NC1=O ZINC000522247823 650623973 /nfs/dbraw/zinc/62/39/73/650623973.db2.gz JKWCCXUCVYTRLF-KRWDZBQOSA-N 1 0 389.253 2.189 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(OC)cc2Br)C1 ZINC000480533515 650624311 /nfs/dbraw/zinc/62/43/11/650624311.db2.gz BWSUGSWDHVEUPV-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2ccc(I)cc2)CCSC1 ZINC000480396558 650620571 /nfs/dbraw/zinc/62/05/71/650620571.db2.gz VGEOUGDTJKSDQK-AWEZNQCLSA-N 1 0 390.290 2.458 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000480647888 650626741 /nfs/dbraw/zinc/62/67/41/650626741.db2.gz PEFXYEHAJKHKRH-SMDDNHRTSA-N 1 0 391.331 2.418 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000480686119 650627921 /nfs/dbraw/zinc/62/79/21/650627921.db2.gz BNNOFQMKSLNGSL-LLVKDONJSA-N 1 0 379.320 2.466 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(Br)c1 ZINC000480807614 650633127 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GEADRO CC[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481928965 650656559 /nfs/dbraw/zinc/65/65/59/650656559.db2.gz BJXHGEMHOFJMMZ-MRXNPFEDSA-N 1 0 389.949 2.011 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000481964023 650656576 /nfs/dbraw/zinc/65/65/76/650656576.db2.gz CMDVWJSCTZPHMM-HNNXBMFYSA-N 1 0 385.302 2.050 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000482106359 650659967 /nfs/dbraw/zinc/65/99/67/650659967.db2.gz UBRCFASJESQLFA-HNNXBMFYSA-N 1 0 387.571 2.143 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000526041274 650663431 /nfs/dbraw/zinc/66/34/31/650663431.db2.gz AUSYXHRFELOAOT-QWHCGFSZSA-N 1 0 379.448 2.238 20 0 GEADRO C[C@H](O)[C@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000526295975 650664254 /nfs/dbraw/zinc/66/42/54/650664254.db2.gz JFRQNZDHHORLDP-HUBLWGQQSA-N 1 0 376.266 2.421 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527058206 650667102 /nfs/dbraw/zinc/66/71/02/650667102.db2.gz RDECKIAEBXCNHR-UHFFFAOYSA-N 1 0 396.207 2.474 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000527165632 650670103 /nfs/dbraw/zinc/67/01/03/650670103.db2.gz IEBQPFMWCRRTSC-ZDUSSCGKSA-N 1 0 395.301 2.412 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCCNC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000527193873 650670709 /nfs/dbraw/zinc/67/07/09/650670709.db2.gz FEPJEPJZXWRROA-INIZCTEOSA-N 1 0 390.281 2.385 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000527369262 650674955 /nfs/dbraw/zinc/67/49/55/650674955.db2.gz HQASQCQAGVHUQZ-UHFFFAOYSA-N 1 0 393.285 2.087 20 0 GEADRO COc1cc(Br)ccc1C[NH2+]C[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O ZINC000527570474 650679367 /nfs/dbraw/zinc/67/93/67/650679367.db2.gz RPMJUPBEGZDQFA-DYEKYZERSA-N 1 0 381.274 2.220 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNCc2ccc(Br)c(F)c2F)C1 ZINC000527654848 650681315 /nfs/dbraw/zinc/68/13/15/650681315.db2.gz UEQXFFQMASEFSV-LBPRGKRZSA-N 1 0 390.272 2.404 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNCc2ncc(Cl)cc2Br)C1 ZINC000527652134 650681382 /nfs/dbraw/zinc/68/13/82/650681382.db2.gz BOKLFABLSIZONC-NSHDSACASA-N 1 0 389.725 2.175 20 0 GEADRO COc1cc(Br)ccc1C[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000527753102 650681998 /nfs/dbraw/zinc/68/19/98/650681998.db2.gz KAVWESHOAXFTBT-SFHVURJKSA-N 1 0 399.329 2.163 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527756240 650682498 /nfs/dbraw/zinc/68/24/98/650682498.db2.gz YFRHGFOOHDGOPH-GOSISDBHSA-N 1 0 399.329 2.163 20 0 GEADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000484646317 650688410 /nfs/dbraw/zinc/68/84/10/650688410.db2.gz IQYMJDPWISWDSW-UONOGXRCSA-N 1 0 375.238 2.310 20 0 GEADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528337408 650689100 /nfs/dbraw/zinc/68/91/00/650689100.db2.gz XKMBCUCRXVQHHH-GHMZBOCLSA-N 1 0 382.404 2.355 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528343252 650689666 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COc1ccc(Br)cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000037383138 642513156 /nfs/dbraw/zinc/51/31/56/642513156.db2.gz UXFNQTCHFKSPBW-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO O=S1(=O)CCC(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000533742059 650764871 /nfs/dbraw/zinc/76/48/71/650764871.db2.gz WODLUULVHBPCTC-UHFFFAOYSA-N 1 0 389.308 2.489 20 0 GEADRO COc1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c(Br)c1 ZINC000533779203 650765355 /nfs/dbraw/zinc/76/53/55/650765355.db2.gz OPGGDSLWXJZQAM-UHFFFAOYSA-N 1 0 394.269 2.433 20 0 GEADRO C[C@H](NC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000489910366 650765399 /nfs/dbraw/zinc/76/53/99/650765399.db2.gz XCVVZFIRPBIEFX-ZFWWWQNUSA-N 1 0 385.339 2.150 20 0 GEADRO Clc1ccc(-n2cc(CN3CCN([C@H]4CC[NH2+]C4)CC3)nn2)cc1Cl ZINC000489976509 650765744 /nfs/dbraw/zinc/76/57/44/650765744.db2.gz HBACFCZCYWUREW-HNNXBMFYSA-N 1 0 381.311 2.054 20 0 GEADRO Clc1ccc(-n2cc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)nn2)cc1Cl ZINC000489976510 650765749 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CCC(CC)[C@@H](CNS(=O)(=O)c1cncc(Br)c1)[NH+](C)C ZINC000044257488 642572851 /nfs/dbraw/zinc/57/28/51/642572851.db2.gz FQPAWFUZMCTFPZ-CQSZACIVSA-N 1 0 378.336 2.489 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1I ZINC000490052986 650767324 /nfs/dbraw/zinc/76/73/24/650767324.db2.gz IXRSMBFUWAAHOG-JTQLQIEISA-N 1 0 396.294 2.076 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@@H]1[NH+](C)C ZINC000534171837 650770116 /nfs/dbraw/zinc/77/01/16/650770116.db2.gz NDCWXTOXZOROHQ-CMPLNLGQSA-N 1 0 384.445 2.251 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000534241564 650771402 /nfs/dbraw/zinc/77/14/02/650771402.db2.gz DZSDUCNRQTTXOZ-UHFFFAOYSA-N 1 0 386.470 2.214 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000047331719 642629570 /nfs/dbraw/zinc/62/95/70/642629570.db2.gz NGJHBRBAEQQYDL-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc(Br)ccc1=O)c1ccco1 ZINC000047368695 642631066 /nfs/dbraw/zinc/63/10/66/642631066.db2.gz 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C[NH+](C)CCc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1 ZINC000102757716 643136615 /nfs/dbraw/zinc/13/66/15/643136615.db2.gz ARWYLJRBSIYZIM-UHFFFAOYSA-N 1 0 381.523 2.159 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000494773406 650816368 /nfs/dbraw/zinc/81/63/68/650816368.db2.gz QLTOOFUXRLJPOC-KRWDZBQOSA-N 1 0 398.345 2.483 20 0 GEADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000102950907 643149010 /nfs/dbraw/zinc/14/90/10/643149010.db2.gz FHNQKFQUBXAPSA-VXGBXAGGSA-N 1 0 382.921 2.246 20 0 GEADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1ccccc1Br ZINC000102950826 643149058 /nfs/dbraw/zinc/14/90/58/643149058.db2.gz KOYYQWOWEIEPAJ-JTQLQIEISA-N 1 0 399.318 2.117 20 0 GEADRO COc1ccc(Br)cc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103151026 643155104 /nfs/dbraw/zinc/15/51/04/643155104.db2.gz VWQXGSWNLIMTHJ-UHFFFAOYSA-N 1 0 396.329 2.198 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(F)ccc1Cl ZINC000103159106 643157058 /nfs/dbraw/zinc/15/70/58/643157058.db2.gz QFYAPKOYTZKDAT-UHFFFAOYSA-N 1 0 394.896 2.373 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000537608413 650818168 /nfs/dbraw/zinc/81/81/68/650818168.db2.gz JNJHHMPMHPDACP-FZMZJTMJSA-N 1 0 395.301 2.312 20 0 GEADRO CC[N@H+](CCNC(=O)c1cc(S(C)(=O)=O)ccc1Br)C1CC1 ZINC000103521445 643170220 /nfs/dbraw/zinc/17/02/20/643170220.db2.gz CKJQSFBWAHWAFY-UHFFFAOYSA-N 1 0 389.315 2.067 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c(Br)cnn2C)CC1 ZINC000494955029 650819743 /nfs/dbraw/zinc/81/97/43/650819743.db2.gz RKLCTUKZXZIILD-GJZGRUSLSA-N 1 0 384.366 2.173 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC000104736889 643189897 /nfs/dbraw/zinc/18/98/97/643189897.db2.gz NAKAYSSHMHFVMU-LLVKDONJSA-N 1 0 391.896 2.448 20 0 GEADRO C[N@H+](CCNC(=O)CNC(=O)c1cccc(Br)c1)C1CCCC1 ZINC000104927789 643197065 /nfs/dbraw/zinc/19/70/65/643197065.db2.gz FPNWWKQCFACPDR-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000104990637 643198494 /nfs/dbraw/zinc/19/84/94/643198494.db2.gz OTXHHEZYJTYWBX-CYBMUJFWSA-N 1 0 397.317 2.466 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000495023462 650821262 /nfs/dbraw/zinc/82/12/62/650821262.db2.gz GXRPXZLLVGRSKB-GXTWGEPZSA-N 1 0 399.358 2.141 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCSCC(F)(F)F ZINC000537712745 650822014 /nfs/dbraw/zinc/82/20/14/650822014.db2.gz HJSXTKFCKKQJTF-UHFFFAOYSA-N 1 0 376.448 2.005 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1Cl)c1cccs1 ZINC000537732670 650822688 /nfs/dbraw/zinc/82/26/88/650822688.db2.gz UVSBTTTUTKFISK-CYBMUJFWSA-N 1 0 387.914 2.082 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1cc(F)ccc1Br ZINC000106539547 643233451 /nfs/dbraw/zinc/23/34/51/643233451.db2.gz RCVUFGVXUNDUHR-GFCCVEGCSA-N 1 0 387.297 2.023 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000106545955 643233693 /nfs/dbraw/zinc/23/36/93/643233693.db2.gz IGMZLBWJRMMGNM-LSDHHAIUSA-N 1 0 397.361 2.315 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C[C@@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000118442734 643512966 /nfs/dbraw/zinc/51/29/66/643512966.db2.gz RZLVSFUKYHMXDW-CQSZACIVSA-N 1 0 387.933 2.032 20 0 GEADRO O=C(CCOc1cccc(Br)c1)NCCC[NH+]1CCC(O)CC1 ZINC000118722025 643520519 /nfs/dbraw/zinc/52/05/19/643520519.db2.gz HNYQNPVARKWUNL-UHFFFAOYSA-N 1 0 385.302 2.181 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(CC(=O)Nc3ccccc3Br)C2)CC1 ZINC000118834462 643523766 /nfs/dbraw/zinc/52/37/66/643523766.db2.gz FOLNRZWGMBYEMO-HNNXBMFYSA-N 1 0 395.345 2.099 20 0 GEADRO CC[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000118857474 643524925 /nfs/dbraw/zinc/52/49/25/643524925.db2.gz BRGCJZWMQGPHTM-GJZGRUSLSA-N 1 0 398.345 2.473 20 0 GEADRO C[N@@H+]1CCCN(C(=O)c2cc(I)c(F)cc2F)CC1 ZINC000118996530 643529798 /nfs/dbraw/zinc/52/97/98/643529798.db2.gz QWTDBTNIUIHPTF-UHFFFAOYSA-N 1 0 380.176 2.347 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N2CCOC(C)(C)C2)[C@H]1c1cccs1 ZINC000539639388 650847224 /nfs/dbraw/zinc/84/72/24/650847224.db2.gz 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377.388 2.464 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cccc(Br)c1 ZINC000162426979 644237492 /nfs/dbraw/zinc/23/74/92/644237492.db2.gz OLPMTVOSBCQLBP-NSHDSACASA-N 1 0 388.287 2.207 20 0 GEADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)CC1=O ZINC000162986342 644244131 /nfs/dbraw/zinc/24/41/31/644244131.db2.gz QNMXIEQGWLMARY-JTQLQIEISA-N 1 0 381.889 2.140 20 0 GEADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)CC1=O ZINC000162986238 644244151 /nfs/dbraw/zinc/24/41/51/644244151.db2.gz QNMXIEQGWLMARY-SNVBAGLBSA-N 1 0 381.889 2.140 20 0 GEADRO OC[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000543185408 650903184 /nfs/dbraw/zinc/90/31/84/650903184.db2.gz LDTBOJQDTVVLIO-VXGBXAGGSA-N 1 0 396.734 2.252 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000163153525 644249777 /nfs/dbraw/zinc/24/97/77/644249777.db2.gz AWVZQABKMYEACT-OLZOCXBDSA-N 1 0 379.448 2.130 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000164138131 644259113 /nfs/dbraw/zinc/25/91/13/644259113.db2.gz AJZVOUCYPOLREE-GFCCVEGCSA-N 1 0 388.295 2.467 20 0 GEADRO Cc1ccnc(N2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)c1 ZINC000165900028 644271401 /nfs/dbraw/zinc/27/14/01/644271401.db2.gz MTGMSUKFJXYPKV-UHFFFAOYSA-N 1 0 381.234 2.037 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)s1 ZINC000166299504 644273792 /nfs/dbraw/zinc/27/37/92/644273792.db2.gz TWFNYYDDMZDKPP-UHFFFAOYSA-N 1 0 387.571 2.127 20 0 GEADRO COCc1cccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000171100320 644309080 /nfs/dbraw/zinc/30/90/80/644309080.db2.gz LBFRTXYDRWQOKA-UHFFFAOYSA-N 1 0 384.567 2.473 20 0 GEADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171143542 644314414 /nfs/dbraw/zinc/31/44/14/644314414.db2.gz JPKJNFQZMZYGED-DZGCQCFKSA-N 1 0 386.286 2.274 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1c(F)cc(Br)cc1F ZINC000174079277 644368433 /nfs/dbraw/zinc/36/84/33/644368433.db2.gz BHMRDVAYRFPPCO-SNVBAGLBSA-N 1 0 391.260 2.485 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)CSc2nc(-c3ccccc3)no2)CCSC1 ZINC000543586983 650915203 /nfs/dbraw/zinc/91/52/03/650915203.db2.gz CZANWDRDNVISKN-KRWDZBQOSA-N 1 0 378.523 2.382 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CSC(=O)N1 ZINC000174673261 644380107 /nfs/dbraw/zinc/38/01/07/644380107.db2.gz MTZFMENPUDBYHO-ZDUSSCGKSA-N 1 0 375.416 2.421 20 0 GEADRO Brc1nc(Br)n(CN2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000175236681 644387301 /nfs/dbraw/zinc/38/73/01/644387301.db2.gz JIUHKDPGKYMYIC-SNVBAGLBSA-N 1 0 393.127 2.321 20 0 GEADRO Cn1ccc([C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c2ccc(Cl)cc2)n1 ZINC000543634458 650916621 /nfs/dbraw/zinc/91/66/21/650916621.db2.gz CHPHGHKNJXJSEM-GUYCJALGSA-N 1 0 382.917 2.034 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CSc1n[n-]c(=S)s1 ZINC000176175104 644399411 /nfs/dbraw/zinc/39/94/11/644399411.db2.gz XQCAJJZFXPDQMD-GFCCVEGCSA-N 1 0 389.616 2.167 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH+]1CCC(C)(O)CC1 ZINC000177306262 644414189 /nfs/dbraw/zinc/41/41/89/644414189.db2.gz MWTMOINDJSSEPF-UHFFFAOYSA-N 1 0 385.302 2.133 20 0 GEADRO COC(=O)CC(C)(C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000178333198 644432938 /nfs/dbraw/zinc/43/29/38/644432938.db2.gz ZEZXBZMEEQHJQW-UHFFFAOYSA-N 1 0 378.288 2.154 20 0 GEADRO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)C1)N1CCOCC1 ZINC000178580432 644435311 /nfs/dbraw/zinc/43/53/11/644435311.db2.gz VWGQAWFDPUNIQV-YOEHRIQHSA-N 1 0 397.313 2.053 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c(Br)n1 ZINC000179508304 644462894 /nfs/dbraw/zinc/46/28/94/644462894.db2.gz ITULZOFFMUTAQJ-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO OCC[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccccc1Br ZINC000543811809 650925030 /nfs/dbraw/zinc/92/50/30/650925030.db2.gz WMTYKPIOHMRBDR-DYVFJYSZSA-N 1 0 388.302 2.019 20 0 GEADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)C(=O)N1CCOCC1 ZINC000180063929 644486119 /nfs/dbraw/zinc/48/61/19/644486119.db2.gz ULVPVYHMFCGNHO-OAHLLOKOSA-N 1 0 388.295 2.405 20 0 GEADRO O=S(=O)(c1ccc(Cl)nc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180466585 644503972 /nfs/dbraw/zinc/50/39/72/644503972.db2.gz HZAVAXMIHGBLKE-UHFFFAOYSA-N 1 0 387.933 2.248 20 0 GEADRO O=C(NNc1cc[nH+]cc1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000180543605 644506354 /nfs/dbraw/zinc/50/63/54/644506354.db2.gz AMJZBNOZFUEAAJ-UHFFFAOYSA-N 1 0 384.133 2.351 20 0 GEADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000181145789 644526299 /nfs/dbraw/zinc/52/62/99/644526299.db2.gz FXSICRKLOPHKGH-AWEZNQCLSA-N 1 0 392.315 2.314 20 0 GEADRO C[N@@H+]1CCCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000181505692 644540412 /nfs/dbraw/zinc/54/04/12/644540412.db2.gz XPKMYSIJCBLVFX-UHFFFAOYSA-N 1 0 397.317 2.455 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(Br)c1F ZINC000543998468 650930359 /nfs/dbraw/zinc/93/03/59/650930359.db2.gz PWKVROHIZDVPQQ-NSHDSACASA-N 1 0 397.310 2.223 20 0 GEADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000544349528 650939466 /nfs/dbraw/zinc/93/94/66/650939466.db2.gz AMUMPLSAGIAPRX-OAHLLOKOSA-N 1 0 387.933 2.228 20 0 GEADRO O[C@@H](C[NH2+]Cc1ncc(Br)cc1Br)[C@H]1CCOC1 ZINC000544405782 650941418 /nfs/dbraw/zinc/94/14/18/650941418.db2.gz JRRCSTDRJGGTEO-UFBFGSQYSA-N 1 0 380.080 2.094 20 0 GEADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)C(C)C ZINC000544414666 650941468 /nfs/dbraw/zinc/94/14/68/650941468.db2.gz BQBDZKQCDDHFNX-CYBMUJFWSA-N 1 0 376.238 2.490 20 0 GEADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ncc(Br)s2)CC1 ZINC000544617446 650946550 /nfs/dbraw/zinc/94/65/50/650946550.db2.gz VUFXCMQGFFAUHD-UHFFFAOYSA-N 1 0 382.349 2.057 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(I)c(O)c2)C1 ZINC000544825824 650954801 /nfs/dbraw/zinc/95/48/01/650954801.db2.gz LPACHYVQKVSWEB-LLVKDONJSA-N 1 0 388.249 2.459 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccncc2I)C[C@@H]1C ZINC000544792825 650954118 /nfs/dbraw/zinc/95/41/18/650954118.db2.gz CFTOELMETFCHTH-WDEREUQCSA-N 1 0 388.253 2.055 20 0 GEADRO C[NH+](C)CC1(NS(=O)(=O)c2cccc(I)c2)CCC1 ZINC000544866653 650956736 /nfs/dbraw/zinc/95/67/36/650956736.db2.gz YQPDBLNIBPGNMB-UHFFFAOYSA-N 1 0 394.278 2.054 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000545168551 650963805 /nfs/dbraw/zinc/96/38/05/650963805.db2.gz KNNOXISFDJWGLD-QGZVFWFLSA-N 1 0 397.317 2.237 20 0 GEADRO COc1cc(Br)ccc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000182156006 644958309 /nfs/dbraw/zinc/95/83/09/644958309.db2.gz IORCYVQCTJHQHP-UHFFFAOYSA-N 1 0 396.329 2.198 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000183081054 644979274 /nfs/dbraw/zinc/97/92/74/644979274.db2.gz ZHPCCTRSCNTJMD-NWDGAFQWSA-N 1 0 381.420 2.174 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000183186655 644985389 /nfs/dbraw/zinc/98/53/89/644985389.db2.gz ZOIWHIKVTKAJQY-MHECFPHRSA-N 1 0 380.535 2.146 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1CCCO1 ZINC000183195466 644985932 /nfs/dbraw/zinc/98/59/32/644985932.db2.gz NGWBGPZZORPABQ-SWLSCSKDSA-N 1 0 387.311 2.194 20 0 GEADRO COc1ccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)nc1Br ZINC000183290169 644990821 /nfs/dbraw/zinc/99/08/21/644990821.db2.gz XAVBFZJYIDKJOB-LBPRGKRZSA-N 1 0 387.274 2.366 20 0 GEADRO COC[C@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC1 ZINC000183472235 644994802 /nfs/dbraw/zinc/99/48/02/644994802.db2.gz NGUXDGJXEUTSDP-HNNXBMFYSA-N 1 0 387.311 2.052 20 0 GEADRO Cc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nnn1-c1cccc(Br)c1 ZINC000185149256 645036244 /nfs/dbraw/zinc/03/62/44/645036244.db2.gz PODCPKZYEBBAQQ-GLQYFDAESA-N 1 0 390.285 2.148 20 0 GEADRO CC[C@@H](C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)[NH+](C)C ZINC000185414429 645043972 /nfs/dbraw/zinc/04/39/72/645043972.db2.gz FAATVENFCFSUHI-GJZGRUSLSA-N 1 0 382.302 2.319 20 0 GEADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000185433684 645045122 /nfs/dbraw/zinc/04/51/22/645045122.db2.gz NGLGABGWYIMZNP-UHFFFAOYSA-N 1 0 377.913 2.174 20 0 GEADRO CC[N@H+](C)CCNC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185522511 645047379 /nfs/dbraw/zinc/04/73/79/645047379.db2.gz UZBFHMZWSZIIQM-HNNXBMFYSA-N 1 0 397.317 2.114 20 0 GEADRO Cn1cnc(S(=O)(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1Cl ZINC000186067586 645059182 /nfs/dbraw/zinc/05/91/82/645059182.db2.gz SVEKQVIWKLHUBO-HNNXBMFYSA-N 1 0 382.917 2.262 20 0 GEADRO CN(CC[N@H+](C)C1CC1)CC(=O)Nc1cccc(I)c1 ZINC000186734563 645073226 /nfs/dbraw/zinc/07/32/26/645073226.db2.gz ZQIXCKWEVKMGTP-UHFFFAOYSA-N 1 0 387.265 2.256 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000187012700 645078646 /nfs/dbraw/zinc/07/86/46/645078646.db2.gz CQUZPHSQWDIUQV-UHFFFAOYSA-N 1 0 375.803 2.482 20 0 GEADRO CN(C(=O)c1ccc(I)c(O)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000545484599 650976693 /nfs/dbraw/zinc/97/66/93/650976693.db2.gz CCZMKJRDOCGZNF-LBPRGKRZSA-N 1 0 386.233 2.306 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)NOCc1ccc(F)cc1Br ZINC000187138434 645083446 /nfs/dbraw/zinc/08/34/46/645083446.db2.gz MWYWJPNFXYURNR-UHFFFAOYSA-N 1 0 392.269 2.287 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000188053796 645105467 /nfs/dbraw/zinc/10/54/67/645105467.db2.gz WTDVEHMYTSBWPM-LBPRGKRZSA-N 1 0 379.979 2.262 20 0 GEADRO C[C@H]1CN(C(=O)COc2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188625835 645122206 /nfs/dbraw/zinc/12/22/06/645122206.db2.gz BIAHSDOVNCXTGT-ZDUSSCGKSA-N 1 0 385.302 2.132 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(Cn2nc(C(F)(F)F)sc2=S)CC1 ZINC000188664809 645123625 /nfs/dbraw/zinc/12/36/25/645123625.db2.gz UTTUNTSVIHBXBH-UHFFFAOYSA-N 1 0 397.492 2.136 20 0 GEADRO CCCOc1c(Br)cc(CNC[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000545859669 650981929 /nfs/dbraw/zinc/98/19/29/650981929.db2.gz ZBKDSQUUANUZME-QGZVFWFLSA-N 1 0 387.318 2.403 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)n1 ZINC000189682057 645139960 /nfs/dbraw/zinc/13/99/60/645139960.db2.gz UPDVFZKIGUYIJX-UHFFFAOYSA-N 1 0 387.933 2.309 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000545864409 650982520 /nfs/dbraw/zinc/98/25/20/650982520.db2.gz UTCIVHNSPPFULM-GOSISDBHSA-N 1 0 393.281 2.164 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000545869239 650982738 /nfs/dbraw/zinc/98/27/38/650982738.db2.gz NCEAPONRPGSDDJ-UHFFFAOYSA-N 1 0 390.285 2.412 20 0 GEADRO O=c1c(Br)nn(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c2ccccc12 ZINC000191442765 645176081 /nfs/dbraw/zinc/17/60/81/645176081.db2.gz DEQAGTISHJAPMN-ZDUSSCGKSA-N 1 0 392.175 2.116 20 0 GEADRO CCC(C)(C)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000191829720 645183382 /nfs/dbraw/zinc/18/33/82/645183382.db2.gz YIIKMMOORHFIBH-CYBMUJFWSA-N 1 0 376.544 2.499 20 0 GEADRO Cn1cc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2I)cn1 ZINC000546001181 650987680 /nfs/dbraw/zinc/98/76/80/650987680.db2.gz OZKMMXUWYMMGBB-UHFFFAOYSA-N 1 0 398.248 2.488 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)c3nc(Br)ccc3Br)C[C@H]2C1 ZINC000192501291 645209903 /nfs/dbraw/zinc/20/99/03/645209903.db2.gz RQQXEDDDMNDANI-DTORHVGOSA-N 1 0 389.091 2.240 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000192526561 645210752 /nfs/dbraw/zinc/21/07/52/645210752.db2.gz FMZCISAPYXVBNK-ZBEGNZNMSA-N 1 0 399.310 2.481 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3Cl)C[C@@H]2C1 ZINC000192917803 645230369 /nfs/dbraw/zinc/23/03/69/645230369.db2.gz IMHDFFANEDCQIC-AOOOYVTPSA-N 1 0 379.707 2.285 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000192925963 645230670 /nfs/dbraw/zinc/23/06/70/645230670.db2.gz SMQQCLYKFXLMKH-NSHDSACASA-N 1 0 383.290 2.082 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)ncc1Br ZINC000192923988 645230971 /nfs/dbraw/zinc/23/09/71/645230971.db2.gz XPASADMIISYPKU-UHFFFAOYSA-N 1 0 383.290 2.083 20 0 GEADRO CCC(CC)[C@H](CNS(=O)(=O)c1cc(OC)c(OC)cc1F)[NH+](C)C ZINC000193098900 645241393 /nfs/dbraw/zinc/24/13/93/645241393.db2.gz WUJAYFDHIGKWCD-AWEZNQCLSA-N 1 0 376.494 2.488 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000193104849 645241805 /nfs/dbraw/zinc/24/18/05/645241805.db2.gz DAYYISYXKPSIGW-ZDUSSCGKSA-N 1 0 379.448 2.010 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000193105217 645241867 /nfs/dbraw/zinc/24/18/67/645241867.db2.gz JTPGRAQRYALTPI-ZDUSSCGKSA-N 1 0 379.448 2.010 20 0 GEADRO COc1ccc(CCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1Br ZINC000193144297 645245193 /nfs/dbraw/zinc/24/51/93/645245193.db2.gz GGXSJHBGFWGASZ-ZIAGYGMSSA-N 1 0 399.329 2.304 20 0 GEADRO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000193233317 645253586 /nfs/dbraw/zinc/25/35/86/645253586.db2.gz OJWZRJXOUHFILL-HUUCEWRRSA-N 1 0 388.917 2.318 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193244226 645254802 /nfs/dbraw/zinc/25/48/02/645254802.db2.gz ANYOYAZJGNTAHF-UONOGXRCSA-N 1 0 388.917 2.033 20 0 GEADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)C1 ZINC000193251514 645256028 /nfs/dbraw/zinc/25/60/28/645256028.db2.gz CULYXNFNLHBOHP-ZFWWWQNUSA-N 1 0 388.917 2.257 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000193266283 645257789 /nfs/dbraw/zinc/25/77/89/645257789.db2.gz QILXLNMRAOIAMQ-OLZOCXBDSA-N 1 0 376.906 2.032 20 0 GEADRO [NH3+][C@@H](CNS(=O)(=O)c1cc(Br)cc2c1OCC2)c1ccccc1 ZINC000193263347 645257814 /nfs/dbraw/zinc/25/78/14/645257814.db2.gz SKCXVGCCYVXBMP-AWEZNQCLSA-N 1 0 397.294 2.362 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000193272212 645258946 /nfs/dbraw/zinc/25/89/46/645258946.db2.gz XBRPYSLTZJOHFN-KBPBESRZSA-N 1 0 390.933 2.422 20 0 GEADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000193280306 645260148 /nfs/dbraw/zinc/26/01/48/645260148.db2.gz VHVWCIMRACWMFU-SSDOTTSWSA-N 1 0 375.210 2.436 20 0 GEADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193280588 645260346 /nfs/dbraw/zinc/26/03/46/645260346.db2.gz VYUXEFAWBFMKKM-JSGCOSHPSA-N 1 0 376.906 2.256 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000193285596 645261579 /nfs/dbraw/zinc/26/15/79/645261579.db2.gz PKMNEPNUFYGKNW-WDEREUQCSA-N 1 0 377.304 2.206 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000193305427 645264941 /nfs/dbraw/zinc/26/49/41/645264941.db2.gz NDBPTRRHOXLZNL-JTQLQIEISA-N 1 0 395.319 2.262 20 0 GEADRO [NH3+][C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)C1CC1 ZINC000193314337 645266241 /nfs/dbraw/zinc/26/62/41/645266241.db2.gz NPNMPOYSVNGARJ-CABCVRRESA-N 1 0 388.917 2.304 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000193416499 645270712 /nfs/dbraw/zinc/27/07/12/645270712.db2.gz AXCRXJOXEYDJDS-OBJOEFQTSA-N 1 0 376.906 2.030 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C)(C)S(=O)(=O)CC1)CC(C)C ZINC000193457710 645274954 /nfs/dbraw/zinc/27/49/54/645274954.db2.gz FJLPOPUZHKEJLW-MRXNPFEDSA-N 1 0 375.579 2.352 20 0 GEADRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000546212244 650996133 /nfs/dbraw/zinc/99/61/33/650996133.db2.gz HVBRNCUEKFXRBC-KGLIPLIRSA-N 1 0 388.295 2.269 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000193550344 645282164 /nfs/dbraw/zinc/28/21/64/645282164.db2.gz IYOHKGQWDXEULL-LBPRGKRZSA-N 1 0 383.286 2.221 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000193566704 645284498 /nfs/dbraw/zinc/28/44/98/645284498.db2.gz LVSCLLOBAGRLPL-LRDDRELGSA-N 1 0 387.933 2.241 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000193909755 645305047 /nfs/dbraw/zinc/30/50/47/645305047.db2.gz YZTRLZLSOQBUEW-UHFFFAOYSA-N 1 0 386.901 2.279 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1Cl ZINC000194734272 645345996 /nfs/dbraw/zinc/34/59/96/645345996.db2.gz FOJQZHKDMXQARH-SNVBAGLBSA-N 1 0 383.695 2.127 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cc(Cl)cc(C(F)(F)F)c3)C[C@H]2C1 ZINC000194930180 645349488 /nfs/dbraw/zinc/34/94/88/645349488.db2.gz NOIIMTKXYJEHEH-AOOOYVTPSA-N 1 0 375.778 2.317 20 0 GEADRO O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195229909 645365388 /nfs/dbraw/zinc/36/53/88/645365388.db2.gz MKWZTHGROMMRKC-AOOOYVTPSA-N 1 0 376.625 2.236 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(Br)sc2Br)CCO1 ZINC000226296648 645390495 /nfs/dbraw/zinc/39/04/95/645390495.db2.gz MHHVIELQHLDUFW-POYBYMJQSA-N 1 0 398.120 2.461 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226343144 645390588 /nfs/dbraw/zinc/39/05/88/645390588.db2.gz WJXMMKZZEJKLBU-PWSUYJOCSA-N 1 0 377.304 2.206 20 0 GEADRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ncc(Br)cc1Br ZINC000227969967 645394336 /nfs/dbraw/zinc/39/43/36/645394336.db2.gz OTRANPZMAZHYHH-UFBFGSQYSA-N 1 0 380.080 2.236 20 0 GEADRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ncc(Br)cc1Br ZINC000227969972 645395060 /nfs/dbraw/zinc/39/50/60/645395060.db2.gz OTRANPZMAZHYHH-PELKAZGASA-N 1 0 380.080 2.236 20 0 GEADRO C[C@H](CNC(=O)c1ccc(I)c(O)c1)C[NH+]1CCCC1 ZINC000230889483 645400260 /nfs/dbraw/zinc/40/02/60/645400260.db2.gz JKQMOALPUORZGX-LLVKDONJSA-N 1 0 388.249 2.459 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(I)c(O)c1 ZINC000230893919 645401247 /nfs/dbraw/zinc/40/12/47/645401247.db2.gz SJZBSPMSGAQPEG-UHFFFAOYSA-N 1 0 376.238 2.411 20 0 GEADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000230989885 645403522 /nfs/dbraw/zinc/40/35/22/645403522.db2.gz PBBHCTHWXIRQBG-CYBMUJFWSA-N 1 0 377.304 2.144 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)C[NH3+])c(Cl)cc1Cl ZINC000236579975 645412578 /nfs/dbraw/zinc/41/25/78/645412578.db2.gz VPUCMIOBTNJHRU-JTQLQIEISA-N 1 0 396.340 2.252 20 0 GEADRO CC(C)CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[NH3+])c(Cl)cc1Cl ZINC000236579862 645412611 /nfs/dbraw/zinc/41/26/11/645412611.db2.gz LQXONTJJAVYXMF-UHFFFAOYSA-N 1 0 396.340 2.395 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000236641201 645415376 /nfs/dbraw/zinc/41/53/76/645415376.db2.gz IXSMZUFOEGTVCO-NSHDSACASA-N 1 0 378.270 2.410 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000236678013 645417441 /nfs/dbraw/zinc/41/74/41/645417441.db2.gz FOBJESPGEVIIMR-KRWDZBQOSA-N 1 0 387.933 2.228 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000236819760 645419382 /nfs/dbraw/zinc/41/93/82/645419382.db2.gz HZPRSPQHPDMKSU-UHFFFAOYSA-N 1 0 380.264 2.153 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc2ncc(I)n2c1 ZINC000236888654 645420219 /nfs/dbraw/zinc/42/02/19/645420219.db2.gz HGANMOUMTUUOPJ-NSHDSACASA-N 1 0 386.237 2.186 20 0 GEADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000237027099 645421716 /nfs/dbraw/zinc/42/17/16/645421716.db2.gz LCCCHTYNFPSWEH-UHFFFAOYSA-N 1 0 392.275 2.248 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000237110793 645423242 /nfs/dbraw/zinc/42/32/42/645423242.db2.gz SHRMOSFIIDRTPC-INIZCTEOSA-N 1 0 387.933 2.228 20 0 GEADRO C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000237128844 645423839 /nfs/dbraw/zinc/42/38/39/645423839.db2.gz QCJKSBPGDAMMPC-MRXNPFEDSA-N 1 0 394.313 2.264 20 0 GEADRO COc1cc(C[NH2+]C[C@H](O)C(C)C)cc(I)c1OC ZINC000237152633 645424743 /nfs/dbraw/zinc/42/47/43/645424743.db2.gz XLHJYKJOVMJLAX-LBPRGKRZSA-N 1 0 379.238 2.415 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000237140899 645424824 /nfs/dbraw/zinc/42/48/24/645424824.db2.gz NANNPTHZWDIFQU-WFASDCNBSA-N 1 0 382.302 2.025 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])cn1 ZINC000237166381 645425471 /nfs/dbraw/zinc/42/54/71/645425471.db2.gz WHIPXYQZNSWGQK-CYBMUJFWSA-N 1 0 384.889 2.036 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)NC[C@@H](C)C[NH3+] ZINC000237189429 645425807 /nfs/dbraw/zinc/42/58/07/645425807.db2.gz AEOZRZFLVIQJGL-ZETCQYMHSA-N 1 0 382.629 2.278 20 0 GEADRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000237249237 645427537 /nfs/dbraw/zinc/42/75/37/645427537.db2.gz IBDONVXVHHNGGR-UKRRQHHQSA-N 1 0 394.313 2.321 20 0 GEADRO CN(Cc1cccc(NC(=O)C[C@@H]2CSCC[NH2+]2)c1)C(=O)C(F)(F)F ZINC000237229585 645427639 /nfs/dbraw/zinc/42/76/39/645427639.db2.gz GVJFGLHYLJLHLY-CYBMUJFWSA-N 1 0 375.416 2.241 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000237341290 645428171 /nfs/dbraw/zinc/42/81/71/645428171.db2.gz PJMODXQLYHCYKJ-ZDUSSCGKSA-N 1 0 387.914 2.088 20 0 GEADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000237345538 645428937 /nfs/dbraw/zinc/42/89/37/645428937.db2.gz DCBQLLFEZVAGNN-CYBMUJFWSA-N 1 0 387.933 2.175 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000237398911 645430380 /nfs/dbraw/zinc/43/03/80/645430380.db2.gz PRCZWIWOZGZTMG-VXGBXAGGSA-N 1 0 378.523 2.267 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000237412154 645431245 /nfs/dbraw/zinc/43/12/45/645431245.db2.gz OJWHIIUJFAKCSM-QWRGUYRKSA-N 1 0 388.331 2.168 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000237433719 645431871 /nfs/dbraw/zinc/43/18/71/645431871.db2.gz KLOVXYHHDOXNST-BFQNTYOBSA-N 1 0 382.302 2.225 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000237446242 645432444 /nfs/dbraw/zinc/43/24/44/645432444.db2.gz NLAQQXJPKNHHED-KBPBESRZSA-N 1 0 385.555 2.122 20 0 GEADRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000237506759 645434589 /nfs/dbraw/zinc/43/45/89/645434589.db2.gz KRKNADDNLNQKAY-ZDUSSCGKSA-N 1 0 385.302 2.421 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])ccc1Br ZINC000237507669 645434691 /nfs/dbraw/zinc/43/46/91/645434691.db2.gz ZEHHSADTJAZMLO-BONVTDFDSA-N 1 0 389.315 2.400 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000237578200 645436772 /nfs/dbraw/zinc/43/67/72/645436772.db2.gz ZDSQRIOWMBJGAE-CHWSQXEVSA-N 1 0 387.933 2.085 20 0 GEADRO CN(C)c1cc[nH+]cc1C(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000546833765 651010877 /nfs/dbraw/zinc/01/08/77/651010877.db2.gz BJTRVFDSYBUFQA-UHFFFAOYSA-N 1 0 377.242 2.279 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)CCCOc1ccc(I)cc1 ZINC000237598372 645437281 /nfs/dbraw/zinc/43/72/81/645437281.db2.gz YUBBQKNPGMGQNX-LLVKDONJSA-N 1 0 376.238 2.256 20 0 GEADRO Cc1c(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000237592456 645437610 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C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411241339 648029143 /nfs/dbraw/zinc/02/91/43/648029143.db2.gz IYIAQSPPHAUSCF-CHWSQXEVSA-N 1 0 377.794 2.270 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000411667170 648029860 /nfs/dbraw/zinc/02/98/60/648029860.db2.gz HQXKMAYMXSFRMS-LLVKDONJSA-N 1 0 386.265 2.375 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000411679857 648031038 /nfs/dbraw/zinc/03/10/38/648031038.db2.gz WWMTUIBHSNSHFJ-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO C[C@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1csnn1 ZINC000412035948 648041662 /nfs/dbraw/zinc/04/16/62/648041662.db2.gz HVENXPUQYFEOER-ZDUSSCGKSA-N 1 0 377.539 2.376 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000413649177 648078847 /nfs/dbraw/zinc/07/88/47/648078847.db2.gz DHSRQOGAVCTOOS-BETUJISGSA-N 1 0 387.933 2.368 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@H+](C)C1 ZINC000413899867 648082157 /nfs/dbraw/zinc/08/21/57/648082157.db2.gz YNRIIEJQIOLYLE-CWRNSKLLSA-N 1 0 395.297 2.116 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)c2cc(C)cc(C)c2Br)CC[N@H+](C)C1 ZINC000413904668 648083798 /nfs/dbraw/zinc/08/37/98/648083798.db2.gz PTVLVFCQLZUHOS-ZDUSSCGKSA-N 1 0 383.286 2.243 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)CCc2cc(Br)cs2)CC[N@H+](C)C1 ZINC000413919548 648085895 /nfs/dbraw/zinc/08/58/95/648085895.db2.gz MPFCHJQQIAXLLS-LLVKDONJSA-N 1 0 389.315 2.006 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413922943 648086284 /nfs/dbraw/zinc/08/62/84/648086284.db2.gz QOQQDWDOMAZVQJ-CYBMUJFWSA-N 1 0 397.313 2.290 20 0 GEADRO C[C@@H]1CCCCN1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414280545 648089722 /nfs/dbraw/zinc/08/97/22/648089722.db2.gz DFFRDPQCOVZDOD-GFCCVEGCSA-N 1 0 390.347 2.061 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)s1 ZINC000414299345 648091187 /nfs/dbraw/zinc/09/11/87/648091187.db2.gz AAIPZPHZKOJPEI-UHFFFAOYSA-N 1 0 380.535 2.274 20 0 GEADRO COCCOc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414302406 648091270 /nfs/dbraw/zinc/09/12/70/648091270.db2.gz CBSJTPOGJGVWCC-UHFFFAOYSA-N 1 0 384.885 2.302 20 0 GEADRO Cc1cc(C[NH2+]CCS(=O)(=O)N2CCSCC2)ccc1C(F)(F)F ZINC000414329447 648094436 /nfs/dbraw/zinc/09/44/36/648094436.db2.gz DCPWSAWOEIQFPK-UHFFFAOYSA-N 1 0 382.473 2.482 20 0 GEADRO NC(=O)c1cn(CCCC[NH2+]C2CC(c3cccc(Br)c3)C2)nn1 ZINC000414347256 648097808 /nfs/dbraw/zinc/09/78/08/648097808.db2.gz HFIGWIFECHWTFZ-UHFFFAOYSA-N 1 0 392.301 2.456 20 0 GEADRO CO[C@H]1CCN(C(=O)Nc2cccc(I)c2)[C@H](C[NH3+])C1 ZINC000414694030 648099967 /nfs/dbraw/zinc/09/99/67/648099967.db2.gz NJRAVANFOCNJCA-STQMWFEESA-N 1 0 389.237 2.261 20 0 GEADRO Cc1cc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1Br ZINC000414706645 648100070 /nfs/dbraw/zinc/10/00/70/648100070.db2.gz OYJKKVTXIWCNLJ-GFCCVEGCSA-N 1 0 383.290 2.076 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC000414710147 648100475 /nfs/dbraw/zinc/10/04/75/648100475.db2.gz GEGOBJKXJMMRJT-LBPRGKRZSA-N 1 0 388.921 2.183 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000414708910 648100595 /nfs/dbraw/zinc/10/05/95/648100595.db2.gz DHGIZMUNMUBROG-ZDUSSCGKSA-N 1 0 388.921 2.244 20 0 GEADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000415412467 648102815 /nfs/dbraw/zinc/10/28/15/648102815.db2.gz XKNPUODMPDZGOP-IINYFYTJSA-N 1 0 382.258 2.451 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC[NH2+]1 ZINC000415419660 648104291 /nfs/dbraw/zinc/10/42/91/648104291.db2.gz VEAHYETVVHECBP-SECBINFHSA-N 1 0 379.766 2.040 20 0 GEADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)Nc1ccncc1I ZINC000415420458 648104355 /nfs/dbraw/zinc/10/43/55/648104355.db2.gz AKKGQWVACKZHEO-LBPRGKRZSA-N 1 0 388.253 2.008 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415419533 648104370 /nfs/dbraw/zinc/10/43/70/648104370.db2.gz UWDHRXKOWAVFLF-MRVPVSSYSA-N 1 0 396.207 2.378 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC[NH2+]1 ZINC000415418228 648104400 /nfs/dbraw/zinc/10/44/00/648104400.db2.gz RFWKLSURIOIHDE-SSDOTTSWSA-N 1 0 378.629 2.000 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000415421918 648104996 /nfs/dbraw/zinc/10/49/96/648104996.db2.gz YVGMWQRCIPVABK-VIFPVBQESA-N 1 0 381.782 2.191 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415468906 648105474 /nfs/dbraw/zinc/10/54/74/648105474.db2.gz WFUYNMBJGIGAGX-AAEUAGOBSA-N 1 0 398.301 2.371 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415583952 648106646 /nfs/dbraw/zinc/10/66/46/648106646.db2.gz WGIXIRUBVHTPGB-GXFFZTMASA-N 1 0 380.286 2.072 20 0 GEADRO C[C@]1(CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCC[NH2+]C1 ZINC000415588623 648107298 /nfs/dbraw/zinc/10/72/98/648107298.db2.gz XVIKVQXJQIOEDP-HNNXBMFYSA-N 1 0 390.228 2.172 20 0 GEADRO COc1ccc(NC(=O)N2CCC[C@@H]2C[NH3+])c(I)c1 ZINC000415596169 648108876 /nfs/dbraw/zinc/10/88/76/648108876.db2.gz LJQKQWQHZKZBAY-SECBINFHSA-N 1 0 375.210 2.255 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000415599015 648109356 /nfs/dbraw/zinc/10/93/56/648109356.db2.gz LQFNSKRLHPJIRR-SSDOTTSWSA-N 1 0 385.358 2.465 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc(Br)c1F ZINC000415603927 648109686 /nfs/dbraw/zinc/10/96/86/648109686.db2.gz DRKRTBMNMASKKN-PELKAZGASA-N 1 0 388.237 2.494 20 0 GEADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415629813 648111573 /nfs/dbraw/zinc/11/15/73/648111573.db2.gz JEQKTLPJKKKCHR-QMMMGPOBSA-N 1 0 386.168 2.131 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415628026 648111691 /nfs/dbraw/zinc/11/16/91/648111691.db2.gz ZGMKUDNYGBVQGU-CYBMUJFWSA-N 1 0 391.269 2.194 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000415813044 648113663 /nfs/dbraw/zinc/11/36/63/648113663.db2.gz BLMJFWNSVOVLGH-LLVKDONJSA-N 1 0 386.279 2.146 20 0 GEADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415812310 648113827 /nfs/dbraw/zinc/11/38/27/648113827.db2.gz CNQPUOBCPYGAJH-PWSUYJOCSA-N 1 0 376.869 2.222 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415815314 648114371 /nfs/dbraw/zinc/11/43/71/648114371.db2.gz WJFVKGAMMNHURA-RQJHMYQMSA-N 1 0 393.079 2.002 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000415815849 648114522 /nfs/dbraw/zinc/11/45/22/648114522.db2.gz LZASQCAQQOPIDL-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)ccc1Cl ZINC000416416143 648119674 /nfs/dbraw/zinc/11/96/74/648119674.db2.gz KFQIUGUHHKFZCM-UHFFFAOYSA-N 1 0 390.933 2.470 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)c1C(F)F ZINC000416448723 648127648 /nfs/dbraw/zinc/12/76/48/648127648.db2.gz HTEBMEXQXQHOMJ-UHFFFAOYSA-N 1 0 378.489 2.409 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416475166 648139559 /nfs/dbraw/zinc/13/95/59/648139559.db2.gz SWNNOZNVPRIQTL-LLVKDONJSA-N 1 0 375.922 2.017 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416491478 648146815 /nfs/dbraw/zinc/14/68/15/648146815.db2.gz ZIXVYSNDEYGKGY-AWEZNQCLSA-N 1 0 387.933 2.161 20 0 GEADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416528847 648161321 /nfs/dbraw/zinc/16/13/21/648161321.db2.gz RAIVFRHHCLLMSC-LBPRGKRZSA-N 1 0 376.906 2.462 20 0 GEADRO COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416552845 648169100 /nfs/dbraw/zinc/16/91/00/648169100.db2.gz IFPPIJNAGZQHQX-HZPDHXFCSA-N 1 0 388.555 2.173 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000416558731 648171653 /nfs/dbraw/zinc/17/16/53/648171653.db2.gz PNCFMZFFJZRSCD-GFCCVEGCSA-N 1 0 391.331 2.468 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)n1 ZINC000503471419 648187867 /nfs/dbraw/zinc/18/78/67/648187867.db2.gz GWXHBWOBHHGACF-AWEZNQCLSA-N 1 0 396.289 2.062 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(Br)c(C)c2)CC[N@H+](C)C1 ZINC000416722507 648209525 /nfs/dbraw/zinc/20/95/25/648209525.db2.gz HIRYAFXZENNXFU-GFCCVEGCSA-N 1 0 384.274 2.326 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000416819550 648212684 /nfs/dbraw/zinc/21/26/84/648212684.db2.gz BFLDOVBBORBUKZ-RYUDHWBXSA-N 1 0 383.290 2.075 20 0 GEADRO COCC1(CNC(=O)NCc2csc(Br)c2)CC[NH2+]CC1 ZINC000417101904 648224935 /nfs/dbraw/zinc/22/49/35/648224935.db2.gz YSTNPJPEWHVOJO-UHFFFAOYSA-N 1 0 376.320 2.326 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417105239 648225014 /nfs/dbraw/zinc/22/50/14/648225014.db2.gz PTWPHPUFHZYODD-PBHICJAKSA-N 1 0 395.345 2.069 20 0 GEADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000417135860 648226377 /nfs/dbraw/zinc/22/63/77/648226377.db2.gz HQGALEPUCURHPP-TZMCWYRMSA-N 1 0 386.290 2.105 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417169086 648227693 /nfs/dbraw/zinc/22/76/93/648227693.db2.gz BJCMXTVLXQXWGX-CYBMUJFWSA-N 1 0 384.318 2.486 20 0 GEADRO COCC1(CNC(=O)NCc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000417172465 648228125 /nfs/dbraw/zinc/22/81/25/648228125.db2.gz FMXYHFFGUGEHKT-UHFFFAOYSA-N 1 0 388.281 2.404 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCC2)CCO1 ZINC000417210929 648232491 /nfs/dbraw/zinc/23/24/91/648232491.db2.gz FMCJJBJNNQMDFP-HNNXBMFYSA-N 1 0 382.302 2.240 20 0 GEADRO CCCN(C(=O)NCc1cn2cc(Br)ccc2n1)[C@@H]1CC[NH2+]C1 ZINC000417214447 648232886 /nfs/dbraw/zinc/23/28/86/648232886.db2.gz HGIHUBHKSLOCBQ-CQSZACIVSA-N 1 0 380.290 2.380 20 0 GEADRO O=C(NCc1cn2cc(Br)ccc2n1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417219196 648233674 /nfs/dbraw/zinc/23/36/74/648233674.db2.gz MKBYEJAXWCIBKP-MBNYWOFBSA-N 1 0 392.301 2.284 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417227537 648234808 /nfs/dbraw/zinc/23/48/08/648234808.db2.gz QEMYQTSBRDJLNW-OCCSQVGLSA-N 1 0 383.290 2.347 20 0 GEADRO C[C@@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000417229637 648234974 /nfs/dbraw/zinc/23/49/74/648234974.db2.gz UOPCZRVLCNKPCW-CHWSQXEVSA-N 1 0 397.317 2.404 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417229850 648235583 /nfs/dbraw/zinc/23/55/83/648235583.db2.gz VFFHLSCSLBXXKB-AWEZNQCLSA-N 1 0 385.306 2.450 20 0 GEADRO [NH3+]CC[C@H]1CCCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000417229912 648235589 /nfs/dbraw/zinc/23/55/89/648235589.db2.gz YEMWWXZVYKHONA-GFCCVEGCSA-N 1 0 380.290 2.367 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417295787 648237865 /nfs/dbraw/zinc/23/78/65/648237865.db2.gz FTHAUOZRHGZMFU-UHFFFAOYSA-N 1 0 386.290 2.347 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[NH2+]1 ZINC000417297100 648238212 /nfs/dbraw/zinc/23/82/12/648238212.db2.gz IDLDYIIIVSERHJ-PWSUYJOCSA-N 1 0 384.274 2.160 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)C(F)F ZINC000417297043 648238331 /nfs/dbraw/zinc/23/83/31/648238331.db2.gz IBADMPGBJRGCBA-SNVBAGLBSA-N 1 0 394.216 2.002 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417362674 648240401 /nfs/dbraw/zinc/24/04/01/648240401.db2.gz FEFNRFBALRBSAK-CYBMUJFWSA-N 1 0 397.317 2.385 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417370570 648241416 /nfs/dbraw/zinc/24/14/16/648241416.db2.gz UAKMXFMNURGYIZ-GFCCVEGCSA-N 1 0 383.290 2.076 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417370571 648241611 /nfs/dbraw/zinc/24/16/11/648241611.db2.gz UAKMXFMNURGYIZ-LBPRGKRZSA-N 1 0 383.290 2.076 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417380655 648242522 /nfs/dbraw/zinc/24/25/22/648242522.db2.gz KWFDAFCNCDGOJF-GFCCVEGCSA-N 1 0 378.217 2.254 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417403660 648243089 /nfs/dbraw/zinc/24/30/89/648243089.db2.gz DLEQHYKLZCMCNG-HNNXBMFYSA-N 1 0 399.333 2.194 20 0 GEADRO O=C(NCCC[NH2+]C1CCCCC1)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000417427659 648244332 /nfs/dbraw/zinc/24/43/32/648244332.db2.gz JOMYAHUOYPKQLO-UHFFFAOYSA-N 1 0 386.543 2.048 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000417436362 648245420 /nfs/dbraw/zinc/24/54/20/648245420.db2.gz OMXAMHAKDRTTQX-WFASDCNBSA-N 1 0 397.317 2.009 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCCc2ccc(I)s2)CC[NH2+]1 ZINC000417435437 648245563 /nfs/dbraw/zinc/24/55/63/648245563.db2.gz BKZTZPIDRJXBRR-UWVGGRQHSA-N 1 0 393.294 2.335 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCc2ccc(I)s2)C1 ZINC000417438603 648245799 /nfs/dbraw/zinc/24/57/99/648245799.db2.gz JVJYCMJPMPPRJY-VHSXEESVSA-N 1 0 393.294 2.322 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417438236 648245983 /nfs/dbraw/zinc/24/59/83/648245983.db2.gz SLVSHGZQOYREFR-LSDHHAIUSA-N 1 0 397.317 2.138 20 0 GEADRO O=C(NCCc1ccc(I)s1)NC[C@@H]1CCC[NH2+]C1 ZINC000417437278 648245989 /nfs/dbraw/zinc/24/59/89/648245989.db2.gz GTQLQBHSNNTIJO-SNVBAGLBSA-N 1 0 393.294 2.194 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1OC ZINC000417441608 648246241 /nfs/dbraw/zinc/24/62/41/648246241.db2.gz AWKDZGWNIVDPKR-MNOVXSKESA-N 1 0 386.290 2.358 20 0 GEADRO COc1cc(Br)c(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1OC ZINC000417441584 648246467 /nfs/dbraw/zinc/24/64/67/648246467.db2.gz ASGQLMZVTAAWPC-LLVKDONJSA-N 1 0 386.290 2.265 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000417449964 648247262 /nfs/dbraw/zinc/24/72/62/648247262.db2.gz YZIVGVFIRMDWDM-QWRGUYRKSA-N 1 0 386.290 2.345 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417464300 648247285 /nfs/dbraw/zinc/24/72/85/648247285.db2.gz QENUEYHGWYCHHT-HNNXBMFYSA-N 1 0 397.317 2.092 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417479456 648248506 /nfs/dbraw/zinc/24/85/06/648248506.db2.gz KLMYDMQEOHIHPH-SQWLQELKSA-N 1 0 393.329 2.279 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417480892 648248617 /nfs/dbraw/zinc/24/86/17/648248617.db2.gz NCSNRDMPQZMXNV-FRFSOERESA-N 1 0 393.329 2.421 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417484040 648249385 /nfs/dbraw/zinc/24/93/85/648249385.db2.gz UELRCQUZKFRTRK-OAHLLOKOSA-N 1 0 381.318 2.469 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417486274 648249971 /nfs/dbraw/zinc/24/99/71/648249971.db2.gz MKCCCHXSJCWCHN-CABCVRRESA-N 1 0 397.317 2.138 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417486397 648249979 /nfs/dbraw/zinc/24/99/79/648249979.db2.gz YKYOXGQKBUYOIY-XPKDYRNWSA-N 1 0 379.302 2.031 20 0 GEADRO [NH3+]CC1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000417605043 648255940 /nfs/dbraw/zinc/25/59/40/648255940.db2.gz WWQIKDVCKOMBGS-CQSZACIVSA-N 1 0 381.318 2.408 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C(F)F ZINC000417604227 648256011 /nfs/dbraw/zinc/25/60/11/648256011.db2.gz UELAVMOBRDYUSO-PWSUYJOCSA-N 1 0 391.260 2.310 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417605275 648256385 /nfs/dbraw/zinc/25/63/85/648256385.db2.gz XKJDHNOXYSUOHX-BFHYXJOUSA-N 1 0 381.318 2.420 20 0 GEADRO CC[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)Cc1cccc(Br)c1 ZINC000417733661 648260281 /nfs/dbraw/zinc/26/02/81/648260281.db2.gz YDJCHFJEKKWZFJ-WMLDXEAASA-N 1 0 397.361 2.221 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417738282 648260748 /nfs/dbraw/zinc/26/07/48/648260748.db2.gz OROAXNVDHOSRCQ-JOYOIKCWSA-N 1 0 380.798 2.430 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417742192 648261032 /nfs/dbraw/zinc/26/10/32/648261032.db2.gz ZSSUEIKEXGOBAO-WDEREUQCSA-N 1 0 393.289 2.126 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417869138 648263539 /nfs/dbraw/zinc/26/35/39/648263539.db2.gz HIZHTFJYRHXDAB-ATZCPNFKSA-N 1 0 379.814 2.367 20 0 GEADRO [NH3+][C@H](CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000417880905 648263997 /nfs/dbraw/zinc/26/39/97/648263997.db2.gz DGMYCLQFIQLNNK-QGZVFWFLSA-N 1 0 395.345 2.450 20 0 GEADRO CC[NH2+]CCNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417889316 648265249 /nfs/dbraw/zinc/26/52/49/648265249.db2.gz JFYYAWSPWYGTQA-JTQLQIEISA-N 1 0 382.262 2.469 20 0 GEADRO COC[C@]1(CNC(=O)N[C@@H](C)Cc2ccccc2Br)CCC[NH2+]1 ZINC000417897047 648265678 /nfs/dbraw/zinc/26/56/78/648265678.db2.gz RARRJMKLYRSGPS-SUMWQHHRSA-N 1 0 384.318 2.448 20 0 GEADRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000417937358 648266450 /nfs/dbraw/zinc/26/64/50/648266450.db2.gz IKUZSZLCGSLORJ-LBPRGKRZSA-N 1 0 391.228 2.324 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000417988971 648268145 /nfs/dbraw/zinc/26/81/45/648268145.db2.gz KVKQRQACAKFYEG-PGUXBMHVSA-N 1 0 385.295 2.477 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCCC[C@@H]3C[NH3+])nc12 ZINC000418024338 648271737 /nfs/dbraw/zinc/27/17/37/648271737.db2.gz MZKLTAHIGSMLRP-CQSZACIVSA-N 1 0 380.290 2.428 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000418036075 648272605 /nfs/dbraw/zinc/27/26/05/648272605.db2.gz VLQIFBCSMVZTHU-DLBZAZTESA-N 1 0 396.329 2.448 20 0 GEADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[NH2+]CC1 ZINC000418033510 648272618 /nfs/dbraw/zinc/27/26/18/648272618.db2.gz RNBKCBAOWGFZAY-MRXNPFEDSA-N 1 0 384.318 2.402 20 0 GEADRO C[C@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)s1 ZINC000418044781 648273073 /nfs/dbraw/zinc/27/30/73/648273073.db2.gz BJYMHILUTRDICR-RYUDHWBXSA-N 1 0 387.347 2.261 20 0 GEADRO CCn1c(CNC(=O)NC[C@@H](C)C[NH2+]C)nc2cc(Br)ccc21 ZINC000418065144 648274590 /nfs/dbraw/zinc/27/45/90/648274590.db2.gz LEVHVNKRZKBUGQ-NSHDSACASA-N 1 0 382.306 2.473 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418070522 648274901 /nfs/dbraw/zinc/27/49/01/648274901.db2.gz ULDXYCIYCZJWJD-ZDUSSCGKSA-N 1 0 384.311 2.220 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(Cl)cc1I ZINC000418087940 648277385 /nfs/dbraw/zinc/27/73/85/648277385.db2.gz IXYVPQIZOYQYQS-HTQZYQBOSA-N 1 0 381.645 2.480 20 0 GEADRO C[NH2+]CCCNC(=O)NCc1ccc(Cl)cc1I ZINC000418086696 648277429 /nfs/dbraw/zinc/27/74/29/648277429.db2.gz DJASHIQDDGESPR-UHFFFAOYSA-N 1 0 381.645 2.353 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418088694 648277762 /nfs/dbraw/zinc/27/77/62/648277762.db2.gz AGUJJLDSZFROMP-NFAWXSAZSA-N 1 0 381.318 2.407 20 0 GEADRO O=C(NCc1ccc(Cl)cc1I)N[C@H]1CCC[NH2+]C1 ZINC000418095344 648279246 /nfs/dbraw/zinc/27/92/46/648279246.db2.gz VRFCVYPVDLVUBC-NSHDSACASA-N 1 0 393.656 2.496 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)NCc2ccc(Cl)cc2I)C1 ZINC000418098139 648279672 /nfs/dbraw/zinc/27/96/72/648279672.db2.gz ZGUWXHYQGIIPJU-SECBINFHSA-N 1 0 393.656 2.435 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418107321 648280591 /nfs/dbraw/zinc/28/05/91/648280591.db2.gz YZXPFQOPFHPUTL-OFQRWUPVSA-N 1 0 393.329 2.279 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)NCCC[NH3+] ZINC000418110707 648281523 /nfs/dbraw/zinc/28/15/23/648281523.db2.gz CKZQMGIUGKFTGF-NSHDSACASA-N 1 0 375.254 2.260 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(N(C)C)CC1 ZINC000418110996 648281542 /nfs/dbraw/zinc/28/15/42/648281542.db2.gz DCWIKQHJGMWVIO-GFCCVEGCSA-N 1 0 384.318 2.146 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000418118196 648282364 /nfs/dbraw/zinc/28/23/64/648282364.db2.gz SNQXECJYEYGORF-STQMWFEESA-N 1 0 384.311 2.461 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(C)nn2C)cc1Br ZINC000418118375 648282468 /nfs/dbraw/zinc/28/24/68/648282468.db2.gz SPUKSFZMMZWNPM-AWEZNQCLSA-N 1 0 382.302 2.440 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCc1ccc(I)cc1Cl)C1CC1 ZINC000418125041 648283437 /nfs/dbraw/zinc/28/34/37/648283437.db2.gz NCYBFSUOGOARNP-LBPRGKRZSA-N 1 0 393.656 2.481 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(I)cc1Cl ZINC000418129745 648283804 /nfs/dbraw/zinc/28/38/04/648283804.db2.gz VEMWBXHGGPOJDB-SFYZADRCSA-N 1 0 381.645 2.480 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(I)cc1Cl ZINC000418130785 648283878 /nfs/dbraw/zinc/28/38/78/648283878.db2.gz WZRJNRRKMYRAAD-SNVBAGLBSA-N 1 0 381.645 2.481 20 0 GEADRO CC(C)(C[NH2+]Cc1ncc(I)s1)C1(O)CCOCC1 ZINC000418136912 648284325 /nfs/dbraw/zinc/28/43/25/648284325.db2.gz RWXULXJHPRSCIS-UHFFFAOYSA-N 1 0 396.294 2.405 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418144149 648284594 /nfs/dbraw/zinc/28/45/94/648284594.db2.gz NGFJSPAMZPNCOC-LBPRGKRZSA-N 1 0 378.217 2.254 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1I ZINC000418143045 648284679 /nfs/dbraw/zinc/28/46/79/648284679.db2.gz OJKLKIYCUOYEFZ-WCQYABFASA-N 1 0 387.265 2.478 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)[C@@H](C[NH3+])C1 ZINC000418146697 648285129 /nfs/dbraw/zinc/28/51/29/648285129.db2.gz ABRQYESGIWZRBH-LALPHHSUSA-N 1 0 398.301 2.420 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1I ZINC000418145614 648285197 /nfs/dbraw/zinc/28/51/97/648285197.db2.gz YKQSXLLRDVDWTL-FZMZJTMJSA-N 1 0 387.265 2.478 20 0 GEADRO CO[C@@H]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)[C@H](C[NH3+])C1 ZINC000418146699 648285202 /nfs/dbraw/zinc/28/52/02/648285202.db2.gz ABRQYESGIWZRBH-ZOWXZIJZSA-N 1 0 398.301 2.420 20 0 GEADRO COCC[C@@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000418174284 648286592 /nfs/dbraw/zinc/28/65/92/648286592.db2.gz UEWHYYZJFRNLFH-IUODEOHRSA-N 1 0 376.284 2.359 20 0 GEADRO [NH3+]CCN(Cc1ccccc1)C(=O)NCCCn1cc(Br)cn1 ZINC000418198915 648287636 /nfs/dbraw/zinc/28/76/36/648287636.db2.gz WBUFZGUGVGRBGJ-UHFFFAOYSA-N 1 0 380.290 2.206 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000418223182 648287731 /nfs/dbraw/zinc/28/77/31/648287731.db2.gz XEMPGADVSZVLJR-AWEZNQCLSA-N 1 0 389.283 2.081 20 0 GEADRO COc1ccc(CCNC(=O)N[C@H]2C[NH2+]CCC2(F)F)c(Cl)c1OC ZINC000418220108 648287838 /nfs/dbraw/zinc/28/78/38/648287838.db2.gz GSOHBVABPNOSAW-LBPRGKRZSA-N 1 0 377.819 2.196 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418225887 648288029 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[NH3+]CC[C@@H](NC(=O)NCc1nc2c(cccc2Br)[nH]1)C(F)F ZINC000418265561 648290387 /nfs/dbraw/zinc/29/03/87/648290387.db2.gz LVHNTGOZSWPUDM-SECBINFHSA-N 1 0 376.205 2.107 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cn3ccc(Br)cc3n2)n1 ZINC000509517564 648290774 /nfs/dbraw/zinc/29/07/74/648290774.db2.gz CCTNLOJIKUAIND-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NCCC[NH2+]C2CC2)cc1Br ZINC000418290880 648291274 /nfs/dbraw/zinc/29/12/74/648291274.db2.gz UGFFUHIQLBNEOC-OAHLLOKOSA-N 1 0 398.345 2.350 20 0 GEADRO [NH3+]CCNC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000418296122 648291716 /nfs/dbraw/zinc/29/17/16/648291716.db2.gz LCZQVEINILZCPP-ZDUSSCGKSA-N 1 0 394.273 2.228 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)NC[C@H](CO)Cc1ccccc1Br ZINC000418296321 648291760 /nfs/dbraw/zinc/29/17/60/648291760.db2.gz GARADAWJSIQYMX-CYBMUJFWSA-N 1 0 384.318 2.041 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000418301586 648292005 /nfs/dbraw/zinc/29/20/05/648292005.db2.gz RSQXYPQHPPNZQA-MRXNPFEDSA-N 1 0 381.318 2.201 20 0 GEADRO CN(Cc1ccc(Br)c(F)c1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418302140 648292173 /nfs/dbraw/zinc/29/21/73/648292173.db2.gz SPIIIJHEAKJRRN-UHFFFAOYSA-N 1 0 387.297 2.025 20 0 GEADRO O=C(NC1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418303244 648292264 /nfs/dbraw/zinc/29/22/64/648292264.db2.gz DGAIYLPECKNIES-UHFFFAOYSA-N 1 0 387.347 2.090 20 0 GEADRO C[NH2+]CCCNC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000418306191 648292273 /nfs/dbraw/zinc/29/22/73/648292273.db2.gz JURCVVYZFQPOAD-CQSZACIVSA-N 1 0 383.334 2.447 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC[NH2+]C)CC1 ZINC000418325135 648292894 /nfs/dbraw/zinc/29/28/94/648292894.db2.gz ITCZBGCZNHBNCL-INIZCTEOSA-N 1 0 383.334 2.447 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)N(CCO)Cc1ccc(Br)s1 ZINC000418320313 648292919 /nfs/dbraw/zinc/29/29/19/648292919.db2.gz QESKKBIJCSVVEH-NSHDSACASA-N 1 0 376.320 2.014 20 0 GEADRO CC[NH2+]CCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418326594 648292927 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[NH3+][C@H](CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)C1CC1 ZINC000418483368 648297785 /nfs/dbraw/zinc/29/77/85/648297785.db2.gz BZYOOBOOQMXUTC-CQSZACIVSA-N 1 0 385.295 2.198 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418505596 648298814 /nfs/dbraw/zinc/29/88/14/648298814.db2.gz FQGPKKJEUFQSJT-HNNXBMFYSA-N 1 0 376.284 2.312 20 0 GEADRO [NH3+]C1(CNC(=O)NCc2noc(-c3cccc(Br)c3)n2)CCC1 ZINC000418505816 648298995 /nfs/dbraw/zinc/29/89/95/648298995.db2.gz FCIOYSFOQCLUCW-UHFFFAOYSA-N 1 0 380.246 2.180 20 0 GEADRO C[C@H](C[NH3+])NC(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000418514814 648299399 /nfs/dbraw/zinc/29/93/99/648299399.db2.gz OTPKNZFSHBOYRB-LLVKDONJSA-N 1 0 388.306 2.087 20 0 GEADRO C[C@H](C[NH3+])NC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418531830 648300623 /nfs/dbraw/zinc/30/06/23/648300623.db2.gz WYVAZVVKXTVZLS-RDDDGLTNSA-N 1 0 384.196 2.148 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418573864 648302274 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GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@H]1c1ccsc1 ZINC000418605954 648304332 /nfs/dbraw/zinc/30/43/32/648304332.db2.gz AYZKWMKYQNAREG-KGLIPLIRSA-N 1 0 376.448 2.431 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@H]1c1cccs1 ZINC000418609350 648304426 /nfs/dbraw/zinc/30/44/26/648304426.db2.gz FKGJWTCNMSPYAT-GXTWGEPZSA-N 1 0 376.448 2.431 20 0 GEADRO CCS[C@H]1CCCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418610701 648304758 /nfs/dbraw/zinc/30/47/58/648304758.db2.gz GWPKIOHEBIJEOO-UONOGXRCSA-N 1 0 382.496 2.140 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000418612086 648304845 /nfs/dbraw/zinc/30/48/45/648304845.db2.gz FAQPOAGMKRFEJH-PBHICJAKSA-N 1 0 395.345 2.417 20 0 GEADRO C[C@@H]1c2ccsc2CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418612334 648304889 /nfs/dbraw/zinc/30/48/89/648304889.db2.gz IRLUSHTWNJWYNF-BXUZGUMPSA-N 1 0 376.448 2.213 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCc2ccc(Cl)cc21 ZINC000418610660 648304905 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Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H](C)CCC[NH3+])cc1Br ZINC000418706501 648307913 /nfs/dbraw/zinc/30/79/13/648307913.db2.gz OSMFBDQXXQRYDH-ZFWWWQNUSA-N 1 0 386.334 2.335 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000418724360 648308362 /nfs/dbraw/zinc/30/83/62/648308362.db2.gz OEWOUMUTGUUYPN-IXPVHAAZSA-N 1 0 388.281 2.438 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418736121 648308780 /nfs/dbraw/zinc/30/87/80/648308780.db2.gz YCKPYMUDBZNKHP-RYUDHWBXSA-N 1 0 387.297 2.151 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418753531 648309302 /nfs/dbraw/zinc/30/93/02/648309302.db2.gz ASNYZALOSOSQAE-ZBFHGGJFSA-N 1 0 377.897 2.475 20 0 GEADRO C[C@H](CN(C)C(=O)NC[C@@H]1C[NH2+]CCN1C)Oc1ccc(Cl)c(Cl)c1 ZINC000418758788 648309705 /nfs/dbraw/zinc/30/97/05/648309705.db2.gz ISIJFGZTZWSDPT-OLZOCXBDSA-N 1 0 389.327 2.306 20 0 GEADRO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000418762976 648310590 /nfs/dbraw/zinc/31/05/90/648310590.db2.gz MLKJCLUFWFNESN-MRXNPFEDSA-N 1 0 377.897 2.475 20 0 GEADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418767111 648310902 /nfs/dbraw/zinc/31/09/02/648310902.db2.gz PZHKEHBLGDJLOT-CHWSQXEVSA-N 1 0 392.244 2.169 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000418768416 648310944 /nfs/dbraw/zinc/31/09/44/648310944.db2.gz SBAMNIRIYMYDPI-CXAGYDPISA-N 1 0 376.551 2.370 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000418773129 648311703 /nfs/dbraw/zinc/31/17/03/648311703.db2.gz XMGZZYHJUBNMTB-HZPDHXFCSA-N 1 0 381.318 2.199 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000418773115 648311746 /nfs/dbraw/zinc/31/17/46/648311746.db2.gz XLSYBDFUNHQWIE-HZPDHXFCSA-N 1 0 399.308 2.338 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N(CCO)Cc1ccc(Br)s1 ZINC000418775378 648312152 /nfs/dbraw/zinc/31/21/52/648312152.db2.gz WKWLEYLGWFEQOY-JTQLQIEISA-N 1 0 398.273 2.012 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418779521 648312202 /nfs/dbraw/zinc/31/22/02/648312202.db2.gz XKMYQSDJXPKMHG-NVXWUHKLSA-N 1 0 398.345 2.432 20 0 GEADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418777488 648312283 /nfs/dbraw/zinc/31/22/83/648312283.db2.gz YLESLJDRTKLADE-ZFWWWQNUSA-N 1 0 398.301 2.293 20 0 GEADRO O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418787972 648312587 /nfs/dbraw/zinc/31/25/87/648312587.db2.gz JMFUNZRVVTWXSL-XOUADPBQSA-N 1 0 382.302 2.170 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418787489 648312630 /nfs/dbraw/zinc/31/26/30/648312630.db2.gz JXUCXQDPJJLHPZ-OFQRWUPVSA-N 1 0 398.345 2.335 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000418783696 648312706 /nfs/dbraw/zinc/31/27/06/648312706.db2.gz GEAXANZJJPOUNH-ZFWWWQNUSA-N 1 0 381.318 2.408 20 0 GEADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418791682 648313124 /nfs/dbraw/zinc/31/31/24/648313124.db2.gz MVJIJTBPLJGBSM-XOUADPBQSA-N 1 0 382.302 2.170 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccc(F)cc1Br ZINC000418811773 648313599 /nfs/dbraw/zinc/31/35/99/648313599.db2.gz IEXKAMGDQWNPBR-CQSZACIVSA-N 1 0 388.281 2.036 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000418819614 648313871 /nfs/dbraw/zinc/31/38/71/648313871.db2.gz RAEKUTNRONVRKA-QOFRNUMZSA-N 1 0 384.307 2.470 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)C[C@@H]12 ZINC000418814102 648314053 /nfs/dbraw/zinc/31/40/53/648314053.db2.gz FPUVTXCXAZOZAF-KPZJGCQBSA-N 1 0 382.291 2.161 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418827985 648315197 /nfs/dbraw/zinc/31/51/97/648315197.db2.gz MBFSCUBERJIRQN-SHPPOPEUSA-N 1 0 394.313 2.055 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418832036 648315436 /nfs/dbraw/zinc/31/54/36/648315436.db2.gz HBBGBTOXBIUVLP-UINNMSKDSA-N 1 0 376.259 2.424 20 0 GEADRO CN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000418831941 648315526 /nfs/dbraw/zinc/31/55/26/648315526.db2.gz PMXCNHYOKXPXQQ-IVMMDQJWSA-N 1 0 394.313 2.022 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418838939 648316270 /nfs/dbraw/zinc/31/62/70/648316270.db2.gz WAYBAKFOGCDMKO-SYAUCNOPSA-N 1 0 394.313 2.055 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418846929 648316911 /nfs/dbraw/zinc/31/69/11/648316911.db2.gz UEIZPCVBSOZNOT-IOASZLSFSA-N 1 0 396.329 2.225 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418847107 648316982 /nfs/dbraw/zinc/31/69/82/648316982.db2.gz URRKFHNOVYWNFQ-GFCCVEGCSA-N 1 0 384.318 2.130 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)Cc1ccc(Cl)cc1Cl ZINC000418853936 648317754 /nfs/dbraw/zinc/31/77/54/648317754.db2.gz KGISZWXYEBFJEP-HIFRSBDPSA-N 1 0 386.323 2.484 20 0 GEADRO OCC[NH+]1CCC(CNc2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000418856143 648318475 /nfs/dbraw/zinc/31/84/75/648318475.db2.gz OIVXGBQRPIHBOM-UHFFFAOYSA-N 1 0 388.253 3.041 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418857727 648318599 /nfs/dbraw/zinc/31/85/99/648318599.db2.gz SZWPBKGUDTVHBY-OAHLLOKOSA-N 1 0 396.329 2.268 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418858234 648318654 /nfs/dbraw/zinc/31/86/54/648318654.db2.gz VJYGEIGMPUHCAC-DOMZBBRYSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1 ZINC000418870875 648320019 /nfs/dbraw/zinc/32/00/19/648320019.db2.gz UQMOVDGBGQYPLD-ABAIWWIYSA-N 1 0 382.302 2.260 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000418874198 648320219 /nfs/dbraw/zinc/32/02/19/648320219.db2.gz ZGIAZDOZXBKSSW-LALPHHSUSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418891143 648321732 /nfs/dbraw/zinc/32/17/32/648321732.db2.gz LIELSVUXXMPKGB-XNIJJKJLSA-N 1 0 384.307 2.470 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418897302 648321965 /nfs/dbraw/zinc/32/19/65/648321965.db2.gz WYTKXSWTDIMKNO-MRVWCRGKSA-N 1 0 384.307 2.424 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21)[C@H]1CCC[NH2+]C1 ZINC000418938469 648322943 /nfs/dbraw/zinc/32/29/43/648322943.db2.gz GKGSJYRFGZGBLQ-RBOXIYTFSA-N 1 0 394.313 2.057 20 0 GEADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418945607 648323759 /nfs/dbraw/zinc/32/37/59/648323759.db2.gz MYJCZWISMBONEC-JKSUJKDBSA-N 1 0 394.313 2.356 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)c1cc(Cl)ccc1Cl ZINC000418947545 648323958 /nfs/dbraw/zinc/32/39/58/648323958.db2.gz BAXWUVHKADOUFG-ISTVAULSSA-N 1 0 388.295 2.400 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418948284 648324571 /nfs/dbraw/zinc/32/45/71/648324571.db2.gz QCJJSUKGERGOAR-WBMJQRKESA-N 1 0 394.313 2.227 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCCc2cccc(Br)c2)CCCCCC1 ZINC000418991680 648326955 /nfs/dbraw/zinc/32/69/55/648326955.db2.gz MVSSINUDRDFTHL-UHFFFAOYSA-N 1 0 396.329 2.276 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419024104 648328265 /nfs/dbraw/zinc/32/82/65/648328265.db2.gz QBRXDARSVGBBAA-XJKSGUPXSA-N 1 0 396.329 2.145 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419028513 648328669 /nfs/dbraw/zinc/32/86/69/648328669.db2.gz WWQIFYQXFFEZHK-UKRRQHHQSA-N 1 0 396.329 2.002 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419040124 648329039 /nfs/dbraw/zinc/32/90/39/648329039.db2.gz MAPNOYPBUNGMFT-KGLIPLIRSA-N 1 0 384.307 2.110 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419055187 648331051 /nfs/dbraw/zinc/33/10/51/648331051.db2.gz NMUFRBFHBMPNIW-LLVKDONJSA-N 1 0 390.709 2.352 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419054945 648331092 /nfs/dbraw/zinc/33/10/92/648331092.db2.gz NEDVQPFTTNWOOW-HUUCEWRRSA-N 1 0 396.329 2.226 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419056318 648331201 /nfs/dbraw/zinc/33/12/01/648331201.db2.gz QOTHTTYFEQYDGS-CABCVRRESA-N 1 0 396.329 2.097 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419057303 648331465 /nfs/dbraw/zinc/33/14/65/648331465.db2.gz UHGYXWBDCCYMLA-NFAWXSAZSA-N 1 0 396.329 2.001 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419057330 648331560 /nfs/dbraw/zinc/33/15/60/648331560.db2.gz UJSCAZGLVLSFKJ-YUELXQCFSA-N 1 0 396.329 2.143 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419058511 648331956 /nfs/dbraw/zinc/33/19/56/648331956.db2.gz WCWOLXCJCRZIHC-XPKDYRNWSA-N 1 0 396.329 2.001 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000419063238 648332135 /nfs/dbraw/zinc/33/21/35/648332135.db2.gz GNEKBCQMLKFHNS-IUODEOHRSA-N 1 0 382.302 2.007 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C1 ZINC000419098410 648333573 /nfs/dbraw/zinc/33/35/73/648333573.db2.gz GYMIEUZKNITWFI-LLVKDONJSA-N 1 0 380.901 2.024 20 0 GEADRO C[C@H](NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)[C@H]1CCC[NH2+]C1 ZINC000419094980 648333713 /nfs/dbraw/zinc/33/37/13/648333713.db2.gz BWFKHACROZRMSQ-QWRGUYRKSA-N 1 0 380.901 2.070 20 0 GEADRO CC1(CNC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC[NH2+]CC1 ZINC000419103009 648334220 /nfs/dbraw/zinc/33/42/20/648334220.db2.gz LKIVRZZWCVKYIY-UHFFFAOYSA-N 1 0 380.901 2.072 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C1 ZINC000419106266 648334539 /nfs/dbraw/zinc/33/45/39/648334539.db2.gz OFULANMFKNGVKG-QWRGUYRKSA-N 1 0 380.901 2.152 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)C1 ZINC000419106264 648334565 /nfs/dbraw/zinc/33/45/65/648334565.db2.gz OFULANMFKNGVKG-MNOVXSKESA-N 1 0 380.901 2.152 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000419127467 648335529 /nfs/dbraw/zinc/33/55/29/648335529.db2.gz QOSMDVZCMHELKG-HFBAOOFYSA-N 1 0 377.897 2.413 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000419133581 648336378 /nfs/dbraw/zinc/33/63/78/648336378.db2.gz IVXYATSWVSBZDS-RISCZKNCSA-N 1 0 388.295 2.074 20 0 GEADRO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419154037 648337521 /nfs/dbraw/zinc/33/75/21/648337521.db2.gz QROMVHIWLDVLJC-HEHGZKQESA-N 1 0 384.307 2.156 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000419155440 648338033 /nfs/dbraw/zinc/33/80/33/648338033.db2.gz TUGJTWABHIOGFB-LBPRGKRZSA-N 1 0 382.302 2.132 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000419159873 648338435 /nfs/dbraw/zinc/33/84/35/648338435.db2.gz ZWZKOZRSBLSJJU-OBJOEFQTSA-N 1 0 382.302 2.212 20 0 GEADRO Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1Br ZINC000419163091 648338677 /nfs/dbraw/zinc/33/86/77/648338677.db2.gz IYZXPOOOOWCZGI-TZMCWYRMSA-N 1 0 382.302 2.102 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1)C1CC1 ZINC000419166295 648338804 /nfs/dbraw/zinc/33/88/04/648338804.db2.gz BHHZGBUHVNOGSK-AWEZNQCLSA-N 1 0 384.307 2.385 20 0 GEADRO O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419171906 648339246 /nfs/dbraw/zinc/33/92/46/648339246.db2.gz JJBSIMJULUPUBA-GFCCVEGCSA-N 1 0 384.307 2.400 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419183180 648339703 /nfs/dbraw/zinc/33/97/03/648339703.db2.gz IGNHOVWSCUGFEA-UHFFFAOYSA-N 1 0 398.345 2.286 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419181094 648339752 /nfs/dbraw/zinc/33/97/52/648339752.db2.gz FYUYOEIYGZFNPK-UHFFFAOYSA-N 1 0 398.345 2.477 20 0 GEADRO CCCN(C(=O)C(=O)NCCc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000419192981 648340528 /nfs/dbraw/zinc/34/05/28/648340528.db2.gz QCTFKWDDHPDZOV-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)C[C@H](C)[NH2+]1 ZINC000419195654 648341066 /nfs/dbraw/zinc/34/10/66/648341066.db2.gz YKMVFEBROFBHRS-STQMWFEESA-N 1 0 396.329 2.052 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1ccccc1Br)C1CCCCC1 ZINC000419211872 648341792 /nfs/dbraw/zinc/34/17/92/648341792.db2.gz YILHKZCOIGHFOO-MRXNPFEDSA-N 1 0 396.329 2.132 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419283502 648344536 /nfs/dbraw/zinc/34/45/36/648344536.db2.gz NFZPUHANEXJGTA-KZULUSFZSA-N 1 0 384.307 2.253 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419296697 648345109 /nfs/dbraw/zinc/34/51/09/648345109.db2.gz FDDYDHDITMWKAE-KGLIPLIRSA-N 1 0 396.329 2.186 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1sccc1Br)C1CCCCC1 ZINC000419300217 648345567 /nfs/dbraw/zinc/34/55/67/648345567.db2.gz LIDLGRDKULJVCG-LBPRGKRZSA-N 1 0 388.331 2.151 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419299673 648345577 /nfs/dbraw/zinc/34/55/77/648345577.db2.gz KHWTYKVCAOACPO-ZIAGYGMSSA-N 1 0 396.329 2.268 20 0 GEADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2sccc2Br)cc1 ZINC000419300530 648345952 /nfs/dbraw/zinc/34/59/52/648345952.db2.gz MAXSUOLBTAKSSF-SNVBAGLBSA-N 1 0 396.310 2.463 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419305806 648346482 /nfs/dbraw/zinc/34/64/82/648346482.db2.gz XHRGVLFSFUSXSQ-BXUZGUMPSA-N 1 0 396.329 2.125 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000419327413 648347810 /nfs/dbraw/zinc/34/78/10/648347810.db2.gz CXDKVAGOQVAENA-KBPBESRZSA-N 1 0 388.339 2.339 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000419327417 648347878 /nfs/dbraw/zinc/34/78/78/648347878.db2.gz CXDKVAGOQVAENA-UONOGXRCSA-N 1 0 388.339 2.339 20 0 GEADRO Cc1ccc(NC(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000419339240 648348142 /nfs/dbraw/zinc/34/81/42/648348142.db2.gz LUCOIBURFNQBRO-UONOGXRCSA-N 1 0 384.318 2.083 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCC(=O)Nc1cccc(Br)c1 ZINC000419345892 648348686 /nfs/dbraw/zinc/34/86/86/648348686.db2.gz UNONALLYSNXYPX-KGLIPLIRSA-N 1 0 384.318 2.165 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCC(=O)Nc1ccccc1Br ZINC000419344566 648349027 /nfs/dbraw/zinc/34/90/27/648349027.db2.gz SBLJCBZRZJSLDL-KBPBESRZSA-N 1 0 384.318 2.165 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000419365271 648350374 /nfs/dbraw/zinc/35/03/74/648350374.db2.gz SZDQRSQQYRGYPX-UHFFFAOYSA-N 1 0 384.307 2.423 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419371376 648351159 /nfs/dbraw/zinc/35/11/59/648351159.db2.gz ISBDVPGSOFCHSQ-CYBMUJFWSA-N 1 0 396.329 2.231 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000419520579 648356103 /nfs/dbraw/zinc/35/61/03/648356103.db2.gz MSBHGLHDOGMIBK-GZIXRCOHSA-N 1 0 396.329 2.402 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000419521575 648356178 /nfs/dbraw/zinc/35/61/78/648356178.db2.gz KKCCQQKWNFILME-SWLSCSKDSA-N 1 0 396.329 2.087 20 0 GEADRO CN(C(=O)C(=O)N[C@@H]1CCc2c1cccc2Br)[C@@H]1CCC[NH2+]CC1 ZINC000419580565 648356696 /nfs/dbraw/zinc/35/66/96/648356696.db2.gz BRSXVTHTFYEAJT-MLGOLLRUSA-N 1 0 394.313 2.153 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)n1C ZINC000419695986 648366061 /nfs/dbraw/zinc/36/60/61/648366061.db2.gz NRVZUIBPIIBFME-CYBMUJFWSA-N 1 0 381.318 2.189 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000419706411 648368198 /nfs/dbraw/zinc/36/81/98/648368198.db2.gz JQTYJPQQEWARLZ-HBNTYKKESA-N 1 0 388.331 2.192 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCc1cc(Br)cs1 ZINC000419728862 648371762 /nfs/dbraw/zinc/37/17/62/648371762.db2.gz ZDFIUWYCPWGINO-GFCCVEGCSA-N 1 0 388.331 2.021 20 0 GEADRO Cc1ccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)nc1 ZINC000419732954 648372559 /nfs/dbraw/zinc/37/25/59/648372559.db2.gz NJLQDLGXUWMIHJ-UHFFFAOYSA-N 1 0 384.299 2.132 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419747927 648374319 /nfs/dbraw/zinc/37/43/19/648374319.db2.gz NUYRNNDNFBMSBB-BLLLJJGKSA-N 1 0 396.329 2.130 20 0 GEADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)C(=O)N1CCC[NH2+]CC1 ZINC000419758968 648375312 /nfs/dbraw/zinc/37/53/12/648375312.db2.gz LLMKDGUSDJOMCW-UHFFFAOYSA-N 1 0 396.221 2.033 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419763556 648376357 /nfs/dbraw/zinc/37/63/57/648376357.db2.gz UQCHSIANTGMOOS-MRVPVSSYSA-N 1 0 398.237 2.325 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419763680 648376425 /nfs/dbraw/zinc/37/64/25/648376425.db2.gz UZJXCZBWGYNTLH-UHFFFAOYSA-N 1 0 384.210 2.066 20 0 GEADRO CC[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1cc(F)cc(Br)c1 ZINC000419770582 648376660 /nfs/dbraw/zinc/37/66/60/648376660.db2.gz DSDFEMBNWAGRTR-KGLIPLIRSA-N 1 0 386.265 2.024 20 0 GEADRO [NH3+]CCCNC(=O)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000419775884 648377825 /nfs/dbraw/zinc/37/78/25/648377825.db2.gz KCBXAGVCJFYKAQ-AWEZNQCLSA-N 1 0 386.265 2.011 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)n1C ZINC000419779574 648378188 /nfs/dbraw/zinc/37/81/88/648378188.db2.gz JDMRZNBHEMVBPY-CYBMUJFWSA-N 1 0 399.308 2.329 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419797268 648379450 /nfs/dbraw/zinc/37/94/50/648379450.db2.gz RQGMXMYWSBFQMA-UHFFFAOYSA-N 1 0 398.301 2.385 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419800632 648379632 /nfs/dbraw/zinc/37/96/32/648379632.db2.gz IENJJYSLDQGQHU-UHFFFAOYSA-N 1 0 382.302 2.185 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419800760 648379705 /nfs/dbraw/zinc/37/97/05/648379705.db2.gz AERBCYVDZXWXFR-XJKCOSOUSA-N 1 0 396.329 2.082 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC1 ZINC000419811019 648381079 /nfs/dbraw/zinc/38/10/79/648381079.db2.gz IQFMTRGSLUBNPX-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419819568 648381950 /nfs/dbraw/zinc/38/19/50/648381950.db2.gz MDBPDXBTPLTDIS-CYBMUJFWSA-N 1 0 396.329 2.274 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Br)cc1 ZINC000419822230 648382320 /nfs/dbraw/zinc/38/23/20/648382320.db2.gz PCKQOMYUYOAXMX-GOSISDBHSA-N 1 0 396.329 2.040 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000419829747 648383005 /nfs/dbraw/zinc/38/30/05/648383005.db2.gz VHKWSSVUHRGIJZ-UHFFFAOYSA-N 1 0 391.269 2.146 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419837307 648384098 /nfs/dbraw/zinc/38/40/98/648384098.db2.gz ZLVHZEKUYUTBQG-UHFFFAOYSA-N 1 0 382.302 2.010 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846034 648384918 /nfs/dbraw/zinc/38/49/18/648384918.db2.gz QUCASUHTPSBYTB-HNNXBMFYSA-N 1 0 396.329 2.302 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419851632 648385405 /nfs/dbraw/zinc/38/54/05/648385405.db2.gz OUYVWXRKVSNLRG-OAHLLOKOSA-N 1 0 398.276 2.120 20 0 GEADRO [NH3+][C@H](CNC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000419864984 648386347 /nfs/dbraw/zinc/38/63/47/648386347.db2.gz PAEDNOQZVQFGEJ-MRXNPFEDSA-N 1 0 382.291 2.463 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419868869 648386374 /nfs/dbraw/zinc/38/63/74/648386374.db2.gz VVIXKGMDMFDEJT-STQMWFEESA-N 1 0 382.302 2.084 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419892045 648386771 /nfs/dbraw/zinc/38/67/71/648386771.db2.gz NPTMAXSMYQAWOP-AWEZNQCLSA-N 1 0 394.313 2.023 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419910514 648387865 /nfs/dbraw/zinc/38/78/65/648387865.db2.gz POQUQTWYTCGEBT-UHFFFAOYSA-N 1 0 396.329 2.271 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000419927111 648389035 /nfs/dbraw/zinc/38/90/35/648389035.db2.gz CGPKVSXFHNLLQM-CYBMUJFWSA-N 1 0 384.318 2.158 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000419935699 648389942 /nfs/dbraw/zinc/38/99/42/648389942.db2.gz CWZKXJPDBUHAIH-CYBMUJFWSA-N 1 0 396.329 2.040 20 0 GEADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419942537 648390299 /nfs/dbraw/zinc/39/02/99/648390299.db2.gz HIDXMMQESKCMNT-HNNXBMFYSA-N 1 0 394.313 2.198 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419946879 648390786 /nfs/dbraw/zinc/39/07/86/648390786.db2.gz VSXVOKLDAYEEAX-DGCLKSJQSA-N 1 0 388.295 2.074 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000419966007 648391558 /nfs/dbraw/zinc/39/15/58/648391558.db2.gz XWRZCJIGCQOODO-QWHCGFSZSA-N 1 0 384.318 2.458 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419971241 648392093 /nfs/dbraw/zinc/39/20/93/648392093.db2.gz WKGYXUZDBXRHMH-MRXNPFEDSA-N 1 0 396.329 2.431 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419989254 648393365 /nfs/dbraw/zinc/39/33/65/648393365.db2.gz ARBLSBABQRTVIX-KBPBESRZSA-N 1 0 396.329 2.474 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000420002104 648394941 /nfs/dbraw/zinc/39/49/41/648394941.db2.gz QZHJDIJNEPBLGK-GFCCVEGCSA-N 1 0 384.307 2.384 20 0 GEADRO Cc1csc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1I ZINC000420003779 648395096 /nfs/dbraw/zinc/39/50/96/648395096.db2.gz VQJQTVBSBRPFDL-CYBMUJFWSA-N 1 0 396.294 2.094 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCc1cc(Br)ccc1F ZINC000420011853 648395458 /nfs/dbraw/zinc/39/54/58/648395458.db2.gz IOUFDCKYJHTQGC-INIZCTEOSA-N 1 0 375.282 2.340 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420012999 648395519 /nfs/dbraw/zinc/39/55/19/648395519.db2.gz BKSHZURFOAUMCU-DZGCQCFKSA-N 1 0 382.302 2.041 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N[C@@H](C)CC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420010718 648395565 /nfs/dbraw/zinc/39/55/65/648395565.db2.gz XSXHAVWCHQGHBA-RYUDHWBXSA-N 1 0 390.311 2.463 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420026361 648396920 /nfs/dbraw/zinc/39/69/20/648396920.db2.gz BSYOZSNODRKHJF-DZGCQCFKSA-N 1 0 382.302 2.041 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000420032119 648397493 /nfs/dbraw/zinc/39/74/93/648397493.db2.gz FYFAPIQKJNNYTQ-QGZVFWFLSA-N 1 0 395.301 2.067 20 0 GEADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000420065630 648399221 /nfs/dbraw/zinc/39/92/21/648399221.db2.gz XXNQJYOCJKEBDK-UHFFFAOYSA-N 1 0 396.329 2.183 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N2CC=C(c3cccc(Br)c3)CC2)CCC1 ZINC000420091111 648401178 /nfs/dbraw/zinc/40/11/78/648401178.db2.gz MELXHHYKYXLKQF-UHFFFAOYSA-N 1 0 392.297 2.062 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000420112289 648402382 /nfs/dbraw/zinc/40/23/82/648402382.db2.gz HIWWHYUQJNJKLV-KCXAZCMYSA-N 1 0 394.313 2.227 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420121572 648403269 /nfs/dbraw/zinc/40/32/69/648403269.db2.gz PLHYTHVLMMDWEM-CJNGLKHVSA-N 1 0 396.329 2.300 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000420135969 648404874 /nfs/dbraw/zinc/40/48/74/648404874.db2.gz CPALGGQCHDGNTD-OAHLLOKOSA-N 1 0 384.318 2.350 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000420136082 648405033 /nfs/dbraw/zinc/40/50/33/648405033.db2.gz FLKMLASJKKUILM-WQGACYEGSA-N 1 0 394.313 2.009 20 0 GEADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000420148274 648406067 /nfs/dbraw/zinc/40/60/67/648406067.db2.gz UCZWWCZFHPZCRM-CYBMUJFWSA-N 1 0 396.329 2.053 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H](C)[NH2+]CC ZINC000420151214 648406085 /nfs/dbraw/zinc/40/60/85/648406085.db2.gz BHXCJLBWZCRHGW-CYBMUJFWSA-N 1 0 384.318 2.302 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000420151578 648406129 /nfs/dbraw/zinc/40/61/29/648406129.db2.gz BXLRQLMTIFKHQB-SNVBAGLBSA-N 1 0 388.331 2.116 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000420156641 648406712 /nfs/dbraw/zinc/40/67/12/648406712.db2.gz ACIRIPJSSTUVJO-CYBMUJFWSA-N 1 0 384.318 2.300 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000420174467 648407870 /nfs/dbraw/zinc/40/78/70/648407870.db2.gz WWRGCMUUMWNPMG-YWPYICTPSA-N 1 0 382.302 2.225 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420194490 648408744 /nfs/dbraw/zinc/40/87/44/648408744.db2.gz JNVJSELFLOMEJS-GOEBONIOSA-N 1 0 396.329 2.430 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420199133 648408861 /nfs/dbraw/zinc/40/88/61/648408861.db2.gz DFLSURACVXLMEA-DVOMOZLQSA-N 1 0 384.307 2.456 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420199142 648409290 /nfs/dbraw/zinc/40/92/90/648409290.db2.gz DFLSURACVXLMEA-XJKCOSOUSA-N 1 0 384.307 2.456 20 0 GEADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420215160 648409819 /nfs/dbraw/zinc/40/98/19/648409819.db2.gz RZZCJDXLFVTARV-JHJVBQTASA-N 1 0 384.307 2.456 20 0 GEADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420217691 648409827 /nfs/dbraw/zinc/40/98/27/648409827.db2.gz MZBVEEYPXGLVJU-AAEUAGOBSA-N 1 0 388.295 2.008 20 0 GEADRO CC(C)Cc1ncnc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1I ZINC000420267936 648412381 /nfs/dbraw/zinc/41/23/81/648412381.db2.gz XDHFXYMEXMZSOH-VXGBXAGGSA-N 1 0 386.281 2.325 20 0 GEADRO NS(=O)(=O)c1cc(F)c(NC[C@H]2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000420287389 648412925 /nfs/dbraw/zinc/41/29/25/648412925.db2.gz RJLHYPFREBFHPE-DTWKUNHWSA-N 1 0 380.283 2.165 20 0 GEADRO C[C@@H](NC(=O)CN1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC000420351024 648413631 /nfs/dbraw/zinc/41/36/31/648413631.db2.gz VPFXUYGDADSABI-HIFRSBDPSA-N 1 0 385.339 2.150 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000420360418 648414132 /nfs/dbraw/zinc/41/41/32/648414132.db2.gz HCFMXENFDQIVOA-HFAKWTLXSA-N 1 0 387.265 2.206 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCS(=O)(=O)c1ccc(Br)cc1 ZINC000420365846 648414654 /nfs/dbraw/zinc/41/46/54/648414654.db2.gz LSTUQFWTFAQSCS-TYNCELHUSA-N 1 0 375.332 2.199 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(I)cc3)C2)nn1 ZINC000420386601 648415300 /nfs/dbraw/zinc/41/53/00/648415300.db2.gz VFFXPFHDWKLFLR-HNNXBMFYSA-N 1 0 397.264 2.179 20 0 GEADRO O=C(CN1CC[C@]2(CCC[NH2+]2)C1)Nc1ccccc1I ZINC000420394151 648415701 /nfs/dbraw/zinc/41/57/01/648415701.db2.gz AFHVDJXIRCRVJA-OAHLLOKOSA-N 1 0 385.249 2.058 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420408223 648415958 /nfs/dbraw/zinc/41/59/58/648415958.db2.gz UEXJBLVSACGDRO-LRDDRELGSA-N 1 0 399.276 2.446 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420449286 648417010 /nfs/dbraw/zinc/41/70/10/648417010.db2.gz NQGQAYOJQDZZOB-JOYOIKCWSA-N 1 0 379.707 2.475 20 0 GEADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420449822 648417699 /nfs/dbraw/zinc/41/76/99/648417699.db2.gz ODLPLLMWZAPGKI-JOYOIKCWSA-N 1 0 379.707 2.475 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420470283 648419224 /nfs/dbraw/zinc/41/92/24/648419224.db2.gz WQUGXGPGKCOWTH-ZDUSSCGKSA-N 1 0 377.304 2.124 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC000420472028 648419620 /nfs/dbraw/zinc/41/96/20/648419620.db2.gz BMIKGAMDTIBUFG-WDEREUQCSA-N 1 0 377.304 2.063 20 0 GEADRO Cc1ccsc1S(=O)(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000420471769 648419852 /nfs/dbraw/zinc/41/98/52/648419852.db2.gz QNOHWFSRHZCKAD-UHFFFAOYSA-N 1 0 379.551 2.328 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000420473597 648420335 /nfs/dbraw/zinc/42/03/35/648420335.db2.gz DREDBAPITXTJQR-VXGBXAGGSA-N 1 0 391.331 2.453 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420473103 648420373 /nfs/dbraw/zinc/42/03/73/648420373.db2.gz CVOBDVZWFPRNBP-QWRGUYRKSA-N 1 0 377.304 2.063 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000420476060 648420905 /nfs/dbraw/zinc/42/09/05/648420905.db2.gz HTJUGILGKHLYDV-WDEREUQCSA-N 1 0 377.304 2.063 20 0 GEADRO C[C@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@@H]1C[NH3+] ZINC000420480261 648421343 /nfs/dbraw/zinc/42/13/43/648421343.db2.gz OOBZEHBOXYLPFJ-IUCAKERBSA-N 1 0 383.258 2.333 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420482471 648421522 /nfs/dbraw/zinc/42/15/22/648421522.db2.gz UKUUYMSGITVBSX-MELADBBJSA-N 1 0 390.933 2.359 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)nn1 ZINC000420484212 648422022 /nfs/dbraw/zinc/42/20/22/648422022.db2.gz XLMZGYBVWFNVCY-GFCCVEGCSA-N 1 0 390.296 2.069 20 0 GEADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000420681146 648434129 /nfs/dbraw/zinc/43/41/29/648434129.db2.gz XGVLCCQWVJEYEE-GFCCVEGCSA-N 1 0 398.859 2.067 20 0 GEADRO CN(C)c1ccc(Br)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000420761407 648452936 /nfs/dbraw/zinc/45/29/36/648452936.db2.gz HDAIBLNPBJPOFX-ZDUSSCGKSA-N 1 0 390.347 2.230 20 0 GEADRO COc1ccc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000420953474 648459093 /nfs/dbraw/zinc/45/90/93/648459093.db2.gz VELAKLRXRJIZSY-UHFFFAOYSA-N 1 0 399.329 2.117 20 0 GEADRO CN(CC(=O)Nc1cccc(I)c1)C[C@@H]1CCC[N@@H+]1C ZINC000421014867 648462022 /nfs/dbraw/zinc/46/20/22/648462022.db2.gz WPTIQLBNLHMNBN-AWEZNQCLSA-N 1 0 387.265 2.256 20 0 GEADRO CON1CCC([NH2+][C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000421211529 648471697 /nfs/dbraw/zinc/47/16/97/648471697.db2.gz UPBOBGNXVOGMJA-ZDUSSCGKSA-N 1 0 384.318 2.411 20 0 GEADRO C[NH+]1CCC(CCNC(=O)C(=O)N2CCc3c2cccc3Br)CC1 ZINC000421220051 648473173 /nfs/dbraw/zinc/47/31/73/648473173.db2.gz VWCSJEJNFAJXBY-UHFFFAOYSA-N 1 0 394.313 2.186 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(C)(=O)=O)s2)[C@H](C)C1 ZINC000421467746 648494240 /nfs/dbraw/zinc/49/42/40/648494240.db2.gz JMVIMBDJVRQNSX-KGLIPLIRSA-N 1 0 388.555 2.018 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000421708000 648505497 /nfs/dbraw/zinc/50/54/97/648505497.db2.gz YVBNUAQGSWFWRS-CVEARBPZSA-N 1 0 394.313 2.355 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000421709948 648505884 /nfs/dbraw/zinc/50/58/84/648505884.db2.gz IAEKATKPZTWLDD-OCCSQVGLSA-N 1 0 380.286 2.428 20 0 GEADRO Cn1cc(I)c(C[NH2+][C@H]2CCc3cccnc3CC2)n1 ZINC000421850107 648509690 /nfs/dbraw/zinc/50/96/90/648509690.db2.gz CTOPDDLONXLPSQ-LBPRGKRZSA-N 1 0 382.249 2.457 20 0 GEADRO C[C@H](CNC(=O)N1CCc2c1cccc2Br)C[NH+]1CCN(C)CC1 ZINC000422222752 648530659 /nfs/dbraw/zinc/53/06/59/648530659.db2.gz AXOKAKBYFJJHPE-CQSZACIVSA-N 1 0 395.345 2.405 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@@H]21 ZINC000516745662 648533970 /nfs/dbraw/zinc/53/39/70/648533970.db2.gz NZVYGWMPLBKZPF-ZMLRMANQSA-N 1 0 379.262 2.083 20 0 GEADRO O=C(Nc1ccc(-c2ccc(Br)s2)nn1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000516744290 648534017 /nfs/dbraw/zinc/53/40/17/648534017.db2.gz HLZJEIWNXJIYFE-BWPRHRIFSA-N 1 0 380.271 2.307 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422306300 648535310 /nfs/dbraw/zinc/53/53/10/648535310.db2.gz LSQDSZINVZBPKQ-MRXNPFEDSA-N 1 0 396.329 2.098 20 0 GEADRO Cc1csc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)n1 ZINC000422305202 648535339 /nfs/dbraw/zinc/53/53/39/648535339.db2.gz JUBXXKYHYVKPCF-ZDUSSCGKSA-N 1 0 380.539 2.281 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000422319122 648536348 /nfs/dbraw/zinc/53/63/48/648536348.db2.gz KCEKZLUZDGZJEZ-JKSUJKDBSA-N 1 0 396.329 2.097 20 0 GEADRO CS[C@H]1CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000422340800 648538464 /nfs/dbraw/zinc/53/84/64/648538464.db2.gz NNPIQVUBEPDCED-HOTGVXAUSA-N 1 0 383.583 2.429 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000422406688 648543938 /nfs/dbraw/zinc/54/39/38/648543938.db2.gz AVTYGYXNMMLLRI-GXTWGEPZSA-N 1 0 394.313 2.115 20 0 GEADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000422510857 648553748 /nfs/dbraw/zinc/55/37/48/648553748.db2.gz RYOQIGSDOAODFS-STQMWFEESA-N 1 0 383.480 2.119 20 0 GEADRO CC[NH+](CC)CCCNC(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422513754 648554614 /nfs/dbraw/zinc/55/46/14/648554614.db2.gz GMADZRMHKVHYJC-UHFFFAOYSA-N 1 0 384.318 2.222 20 0 GEADRO CC[N@H+](CCNC(=O)C(=O)NCc1cc(C)ccc1Br)C(C)C ZINC000422518380 648555359 /nfs/dbraw/zinc/55/53/59/648555359.db2.gz NRMDEWIITKPXOA-UHFFFAOYSA-N 1 0 384.318 2.220 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1Cl ZINC000422555488 648558978 /nfs/dbraw/zinc/55/89/78/648558978.db2.gz QBGZIOLJGNVFMJ-UTUOFQBUSA-N 1 0 376.906 2.351 20 0 GEADRO CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)s1 ZINC000422618954 648563227 /nfs/dbraw/zinc/56/32/27/648563227.db2.gz RZODXJFHETWCRY-KGLIPLIRSA-N 1 0 382.482 2.248 20 0 GEADRO Brc1ccc2nc(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000422737278 648574017 /nfs/dbraw/zinc/57/40/17/648574017.db2.gz ZMDHZVBQGAJUTA-BZUAXINKSA-N 1 0 379.302 2.344 20 0 GEADRO C[C@@H](NCC(=O)Nc1ccc(I)cc1)[C@H]1CCCC[NH2+]1 ZINC000423107757 648580425 /nfs/dbraw/zinc/58/04/25/648580425.db2.gz QHHBQQQAJNQALA-BXUZGUMPSA-N 1 0 387.265 2.350 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423108478 648580947 /nfs/dbraw/zinc/58/09/47/648580947.db2.gz SYJUGJGXRGTIAP-OAHLLOKOSA-N 1 0 382.302 2.136 20 0 GEADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423113207 648582182 /nfs/dbraw/zinc/58/21/82/648582182.db2.gz KNMUYDYCXYVJDX-DGCLKSJQSA-N 1 0 388.295 2.089 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000423120629 648582434 /nfs/dbraw/zinc/58/24/34/648582434.db2.gz HKRDHQFROQYAQR-DOMZBBRYSA-N 1 0 382.302 2.073 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000423120630 648582437 /nfs/dbraw/zinc/58/24/37/648582437.db2.gz HKRDHQFROQYAQR-IUODEOHRSA-N 1 0 382.302 2.073 20 0 GEADRO CC(C)[C@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000423120627 648582461 /nfs/dbraw/zinc/58/24/61/648582461.db2.gz HKCVRMSNCZATEP-WFASDCNBSA-N 1 0 384.318 2.305 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c(F)cc1F ZINC000423122479 648582835 /nfs/dbraw/zinc/58/28/35/648582835.db2.gz CJYIKPFYAXCZLC-ZUZCIYMTSA-N 1 0 375.441 2.443 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423123000 648582936 /nfs/dbraw/zinc/58/29/36/648582936.db2.gz KOQDDEMGPXMQIQ-ZDUSSCGKSA-N 1 0 382.302 2.008 20 0 GEADRO O=C(COC1CC[NH2+]CC1)Nc1cc(F)c(I)c(F)c1 ZINC000423122335 648583021 /nfs/dbraw/zinc/58/30/21/648583021.db2.gz KHWSSCNPBVRXAP-UHFFFAOYSA-N 1 0 396.175 2.277 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423127892 648583380 /nfs/dbraw/zinc/58/33/80/648583380.db2.gz PXWVVZKKTFWRDF-BBRMVZONSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1c(Br)cncc1Br ZINC000423155072 648585099 /nfs/dbraw/zinc/58/50/99/648585099.db2.gz ISZKUZWWZLCIEE-GMOODISLSA-N 1 0 393.123 2.449 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423171911 648586709 /nfs/dbraw/zinc/58/67/09/648586709.db2.gz QMKCXHVSQAUDBJ-DUVNUKRYSA-N 1 0 394.313 2.308 20 0 GEADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423175193 648587285 /nfs/dbraw/zinc/58/72/85/648587285.db2.gz DIJYHAXLDUALCB-UONOGXRCSA-N 1 0 384.307 2.410 20 0 GEADRO CC[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)Cc1cccc(Br)c1 ZINC000423216371 648587693 /nfs/dbraw/zinc/58/76/93/648587693.db2.gz RUTGXMOBSAQVJU-CYBMUJFWSA-N 1 0 394.317 2.388 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000423248942 648588303 /nfs/dbraw/zinc/58/83/03/648588303.db2.gz SFABXGUVCMSMBS-HIFRSBDPSA-N 1 0 396.329 2.036 20 0 GEADRO CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423258152 648588978 /nfs/dbraw/zinc/58/89/78/648588978.db2.gz BECSNAWFWNYQTE-JQWIXIFHSA-N 1 0 378.336 2.121 20 0 GEADRO COCC[NH2+]CCN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000423339110 648589378 /nfs/dbraw/zinc/58/93/78/648589378.db2.gz ZGMNCJVIPSAMJD-GFCCVEGCSA-N 1 0 382.306 2.225 20 0 GEADRO CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423300474 648589680 /nfs/dbraw/zinc/58/96/80/648589680.db2.gz RRKZFFYBEQMSIV-JQWIXIFHSA-N 1 0 378.336 2.265 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000423362238 648590217 /nfs/dbraw/zinc/59/02/17/648590217.db2.gz MZHABAZXUJCDAD-YJBOKZPZSA-N 1 0 381.929 2.154 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)N(C)CC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000423476869 648592067 /nfs/dbraw/zinc/59/20/67/648592067.db2.gz STOAVMSXRVPIML-LLVKDONJSA-N 1 0 376.284 2.026 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N1CC[C@H]([NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000423475142 648592139 /nfs/dbraw/zinc/59/21/39/648592139.db2.gz RPSZVZJECBFVJF-RYUDHWBXSA-N 1 0 388.295 2.169 20 0 GEADRO C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423497270 648593136 /nfs/dbraw/zinc/59/31/36/648593136.db2.gz GIEUFUYFIUKMDT-QMTHXVAHSA-N 1 0 390.347 2.265 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000423513727 648593518 /nfs/dbraw/zinc/59/35/18/648593518.db2.gz RXORNUPNKDDLBI-CABCVRRESA-N 1 0 398.276 2.201 20 0 GEADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423550085 648594729 /nfs/dbraw/zinc/59/47/29/648594729.db2.gz DRZSFJCOECPDPX-LBPRGKRZSA-N 1 0 396.329 2.166 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)C1 ZINC000423556131 648595017 /nfs/dbraw/zinc/59/50/17/648595017.db2.gz MMISBTKPDUTCGM-HNNXBMFYSA-N 1 0 384.307 2.334 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423552063 648595053 /nfs/dbraw/zinc/59/50/53/648595053.db2.gz CCDAFDKZSGCBKF-DVOMOZLQSA-N 1 0 394.313 2.179 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423563724 648595468 /nfs/dbraw/zinc/59/54/68/648595468.db2.gz ODQJJOQJFSGSRT-LALPHHSUSA-N 1 0 382.302 2.164 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423560700 648595634 /nfs/dbraw/zinc/59/56/34/648595634.db2.gz LJWDTQFFUPOVOF-LBPRGKRZSA-N 1 0 384.318 2.412 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000423569149 648596036 /nfs/dbraw/zinc/59/60/36/648596036.db2.gz MHVUSLNDIVFNTB-QWRGUYRKSA-N 1 0 386.315 2.124 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423588970 648596501 /nfs/dbraw/zinc/59/65/01/648596501.db2.gz DKNICGAZFNNPNW-ZBFHGGJFSA-N 1 0 394.313 2.008 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000423573065 648596637 /nfs/dbraw/zinc/59/66/37/648596637.db2.gz YJMMZZHDWXXUET-JHJVBQTASA-N 1 0 382.302 2.177 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000423599850 648597013 /nfs/dbraw/zinc/59/70/13/648597013.db2.gz YMEHUKVXXDRRRE-HOCLYGCPSA-N 1 0 381.929 2.243 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423650480 648598165 /nfs/dbraw/zinc/59/81/65/648598165.db2.gz QTPLOIJQBNQWKQ-GFCCVEGCSA-N 1 0 388.693 2.011 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000423662566 648598931 /nfs/dbraw/zinc/59/89/31/648598931.db2.gz MZANFXQZAIZSBP-CQSZACIVSA-N 1 0 382.302 2.008 20 0 GEADRO CN(C(=O)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1)C1CC[NH2+]CC1 ZINC000423691799 648599772 /nfs/dbraw/zinc/59/97/72/648599772.db2.gz QDXNZJWKLPOTKT-MRXNPFEDSA-N 1 0 381.929 2.243 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000423748454 648601847 /nfs/dbraw/zinc/60/18/47/648601847.db2.gz RPQOWBDDYAOANN-APPZFPTMSA-N 1 0 377.080 2.464 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000423748459 648601881 /nfs/dbraw/zinc/60/18/81/648601881.db2.gz RPQOWBDDYAOANN-VXNVDRBHSA-N 1 0 377.080 2.464 20 0 GEADRO COC[C@]1(C(=O)NCCc2cc(Cl)ccc2Br)CC[NH2+]C1 ZINC000423900504 648602941 /nfs/dbraw/zinc/60/29/41/648602941.db2.gz KFHVQUDNZDCXCQ-HNNXBMFYSA-N 1 0 375.694 2.387 20 0 GEADRO [NH3+]C[C@@H](NC(=O)COc1ccc(I)cc1)C1CCCC1 ZINC000423936224 648603579 /nfs/dbraw/zinc/60/35/79/648603579.db2.gz CPQACBFTFIVGNY-CQSZACIVSA-N 1 0 388.249 2.304 20 0 GEADRO [NH3+]C[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CCCC1 ZINC000423938617 648603621 /nfs/dbraw/zinc/60/36/21/648603621.db2.gz JQFXUSLVMBJEQB-CVEARBPZSA-N 1 0 394.313 2.436 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N(C)[C@@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423942877 648603631 /nfs/dbraw/zinc/60/36/31/648603631.db2.gz BZCWBHCNUUUPQX-HOTGVXAUSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000423961939 648605739 /nfs/dbraw/zinc/60/57/39/648605739.db2.gz UIGKJNYQNIDZSB-ZDUSSCGKSA-N 1 0 388.281 2.198 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C[C@@]1(C)C[NH3+] ZINC000423985069 648606778 /nfs/dbraw/zinc/60/67/78/648606778.db2.gz QQYPJKGCAQBATO-SNUQEOBHSA-N 1 0 394.313 2.245 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cc(Br)ccc3F)C2)nn1 ZINC000423995697 648607903 /nfs/dbraw/zinc/60/79/03/648607903.db2.gz FEAYZKQAKRQRSG-GFCCVEGCSA-N 1 0 382.237 2.116 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C[C@@H]1C[NH3+] ZINC000423998780 648607942 /nfs/dbraw/zinc/60/79/42/648607942.db2.gz AUBFJOCEHDZNHT-MCIONIFRSA-N 1 0 394.313 2.245 20 0 GEADRO CN(CC[NH3+])C(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000424014151 648610264 /nfs/dbraw/zinc/61/02/64/648610264.db2.gz YZFZUKOBVDPBBK-CQSZACIVSA-N 1 0 386.265 2.000 20 0 GEADRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000424138439 648614507 /nfs/dbraw/zinc/61/45/07/648614507.db2.gz MQMFLLKCUJBGLP-MJBXVCDLSA-N 1 0 391.269 2.434 20 0 GEADRO CN1CC[C@H](C[NH2+]Cc2ccc(F)cc2I)CC1=O ZINC000424194958 648616085 /nfs/dbraw/zinc/61/60/85/648616085.db2.gz YFJPHKAMJRMVJO-JTQLQIEISA-N 1 0 376.213 2.388 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)CCOc3ccc(Cl)c(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000424221443 648620356 /nfs/dbraw/zinc/62/03/56/648620356.db2.gz BRADTXVIVFPSMD-XJKSGUPXSA-N 1 0 383.279 2.449 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3Cl)C[C@H]2[NH3+])cn1 ZINC000424221599 648620420 /nfs/dbraw/zinc/62/04/20/648620420.db2.gz CMSMRLFDYZUPHD-DZGCQCFKSA-N 1 0 383.279 2.449 20 0 GEADRO Cc1cc(CCC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1Br ZINC000424221153 648620476 /nfs/dbraw/zinc/62/04/76/648620476.db2.gz BDANGCVEMGHNAC-DOTOQJQBSA-N 1 0 391.313 2.377 20 0 GEADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424226957 648621242 /nfs/dbraw/zinc/62/12/42/648621242.db2.gz PTPXDKOCCWCEQB-HPEXNQPKSA-N 1 0 383.279 2.448 20 0 GEADRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000424374719 648625576 /nfs/dbraw/zinc/62/55/76/648625576.db2.gz LOLUJNRJKGEPRA-ZWKOPEQDSA-N 1 0 376.320 2.017 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424389229 648625970 /nfs/dbraw/zinc/62/59/70/648625970.db2.gz HKZKXOHUSBXPCW-GFCCVEGCSA-N 1 0 386.901 2.279 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000424412360 648627015 /nfs/dbraw/zinc/62/70/15/648627015.db2.gz AIYUZKZEMVQYIX-ZIAGYGMSSA-N 1 0 378.274 3.026 20 0 GEADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)Cc2ccc(Br)o2)c1 ZINC000424440661 648628211 /nfs/dbraw/zinc/62/82/11/648628211.db2.gz RENJGJUIACZZLJ-UHFFFAOYSA-N 1 0 380.242 2.406 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCc1cc(Cl)cc(I)c1)C1CC1 ZINC000424473086 648629965 /nfs/dbraw/zinc/62/99/65/648629965.db2.gz GUXPMSUAVOLXGH-GFCCVEGCSA-N 1 0 393.656 2.481 20 0 GEADRO C[NH2+]CCCNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424474766 648630503 /nfs/dbraw/zinc/63/05/03/648630503.db2.gz IUBOORYPJVLOGL-UHFFFAOYSA-N 1 0 381.645 2.353 20 0 GEADRO COCC(C)(C)[NH+]1CCN(C(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000424991368 648659705 /nfs/dbraw/zinc/65/97/05/648659705.db2.gz OASKKUOYJDAIAX-UHFFFAOYSA-N 1 0 376.366 2.160 20 0 GEADRO COc1cc(NC(=O)C[NH2+][C@H](C)Cn2cc(Br)cn2)cc(OC)c1 ZINC000425359150 648673951 /nfs/dbraw/zinc/67/39/51/648673951.db2.gz VCJAUTPVPMTTIA-LLVKDONJSA-N 1 0 397.273 2.280 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425507714 648682499 /nfs/dbraw/zinc/68/24/99/648682499.db2.gz HTCWQATXKQAZJA-LSDHHAIUSA-N 1 0 383.286 2.162 20 0 GEADRO CCNC(=O)CC[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425521844 648683791 /nfs/dbraw/zinc/68/37/91/648683791.db2.gz UJCWJYAZWWTAKF-CABCVRRESA-N 1 0 383.286 2.164 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000426119099 648703992 /nfs/dbraw/zinc/70/39/92/648703992.db2.gz ZTSLAYURXJDICG-YPMHNXCESA-N 1 0 390.347 2.497 20 0 GEADRO CN(Cc1ccc(Br)c(F)c1)C(=O)NCCOCC[NH+](C)C ZINC000426128428 648704506 /nfs/dbraw/zinc/70/45/06/648704506.db2.gz NMDGDWKFGARXFS-UHFFFAOYSA-N 1 0 376.270 2.308 20 0 GEADRO O=C(NCCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1cccc(Br)c1 ZINC000426137762 648704919 /nfs/dbraw/zinc/70/49/19/648704919.db2.gz PNVHKHGAXRDNFI-MRXNPFEDSA-N 1 0 394.313 2.312 20 0 GEADRO C[C@@H]1CN(CCOc2ccc(Cl)cc2Br)CC[N@@H+]1CCO ZINC000426527005 648710655 /nfs/dbraw/zinc/71/06/55/648710655.db2.gz VAQKATLTRAVGIG-GFCCVEGCSA-N 1 0 377.710 2.480 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000428563113 648736963 /nfs/dbraw/zinc/73/69/63/648736963.db2.gz VKDOFZXMQZGFPP-UKRRQHHQSA-N 1 0 386.334 2.240 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(CCS(=O)(=O)c3ccc(Br)cc3)C2)C1 ZINC000429015469 648742645 /nfs/dbraw/zinc/74/26/45/648742645.db2.gz YMTGCCYBDSKOED-INIZCTEOSA-N 1 0 387.343 2.250 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C[C@H](O)COc3cc(F)cc(Br)c3)C2)C1 ZINC000429022488 648743131 /nfs/dbraw/zinc/74/31/31/648743131.db2.gz SLJVWSHGAAKZPE-RDJZCZTQSA-N 1 0 387.293 2.356 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000429024633 648743643 /nfs/dbraw/zinc/74/36/43/648743643.db2.gz WPVRFQIMUHFCOV-QMTHXVAHSA-N 1 0 380.279 2.036 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000429133104 648745882 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20 0 GEADRO CN(C(=O)c1n[nH]c2ccc(I)cc21)[C@@H]1CCC[NH2+]CC1 ZINC000435751940 648786976 /nfs/dbraw/zinc/78/69/76/648786976.db2.gz VHEKXBMQLZBAOM-LLVKDONJSA-N 1 0 398.248 2.382 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000438787045 648803957 /nfs/dbraw/zinc/80/39/57/648803957.db2.gz ROGWUDYRQLZIEM-WDEREUQCSA-N 1 0 384.249 2.270 20 0 GEADRO CC(C)(C)Oc1nc(NCCCC[NH+]2CCOCC2)ncc1Br ZINC000439093987 648808764 /nfs/dbraw/zinc/80/87/64/648808764.db2.gz AWQLHZKLGQAPMI-UHFFFAOYSA-N 1 0 387.322 2.363 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000440760696 648812732 /nfs/dbraw/zinc/81/27/32/648812732.db2.gz ORLIRPMEHNEJLD-MNOVXSKESA-N 1 0 377.304 2.124 20 0 GEADRO CCOc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1Br ZINC000440799811 648813597 /nfs/dbraw/zinc/81/35/97/648813597.db2.gz LDIWQQDUYORWGR-LLVKDONJSA-N 1 0 377.304 2.268 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000440808867 648814043 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COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000440851486 648817216 /nfs/dbraw/zinc/81/72/16/648817216.db2.gz WCGCGFPBTIGQRU-QWHCGFSZSA-N 1 0 376.906 2.113 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000440947114 648817265 /nfs/dbraw/zinc/81/72/65/648817265.db2.gz XICMBHHYOHGJRT-AAEUAGOBSA-N 1 0 398.301 2.337 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000442143838 648839272 /nfs/dbraw/zinc/83/92/72/648839272.db2.gz HKLDDPMZVYNTQG-ONGXEEELSA-N 1 0 375.803 2.479 20 0 GEADRO C[N@@H+]1CCN(CCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1(C)C ZINC000443075532 648859460 /nfs/dbraw/zinc/85/94/60/648859460.db2.gz BHEQNHVMJVDAFI-UHFFFAOYSA-N 1 0 394.368 2.439 20 0 GEADRO CSc1ccc(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000443099496 648861776 /nfs/dbraw/zinc/86/17/76/648861776.db2.gz AEEXAFJFBKHQAQ-UHFFFAOYSA-N 1 0 391.990 2.366 20 0 GEADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000443685859 648883803 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COc1ccc(Br)c(C[N@H+](C)C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000548931849 651089553 /nfs/dbraw/zinc/08/95/53/651089553.db2.gz DTHYICFBFKHKQF-GFCCVEGCSA-N 1 0 391.331 2.171 20 0 GEADRO COc1cc(C[N@H+](C)C[C@@H]2CCN(S(C)(=O)=O)C2)ccc1OC(F)F ZINC000549126047 651092449 /nfs/dbraw/zinc/09/24/49/651092449.db2.gz CIRYLBIIWNGAAQ-ZDUSSCGKSA-N 1 0 378.441 2.010 20 0 GEADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549323143 651095427 /nfs/dbraw/zinc/09/54/27/651095427.db2.gz VCPBVHUVEFRJPJ-UHFFFAOYSA-N 1 0 384.468 2.427 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549379180 651096308 /nfs/dbraw/zinc/09/63/08/651096308.db2.gz DMPRZMPHBUORFL-GRYCIOLGSA-N 1 0 382.452 2.084 20 0 GEADRO Cc1ncsc1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000550399415 651110711 /nfs/dbraw/zinc/11/07/11/651110711.db2.gz HUAVIUPYUXADRU-CYBMUJFWSA-N 1 0 378.523 2.083 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2Br)C1 ZINC000550425521 651111409 /nfs/dbraw/zinc/11/14/09/651111409.db2.gz UFNNXPYRYFMDKZ-CQSZACIVSA-N 1 0 382.302 2.008 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCc2cccc(Cl)c2Cl)CCSC1 ZINC000551222423 651120527 /nfs/dbraw/zinc/12/05/27/651120527.db2.gz OYPUWNQHKJJJLK-MRXNPFEDSA-N 1 0 390.336 2.163 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)COc1ccccc1 ZINC000551266312 651121765 /nfs/dbraw/zinc/12/17/65/651121765.db2.gz ZKLJTJPXTDNCAH-HIFRSBDPSA-N 1 0 381.270 2.029 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C[NH+](C)C ZINC000551408586 651124085 /nfs/dbraw/zinc/12/40/85/651124085.db2.gz DNBLJWLKJAGPKR-VIFPVBQESA-N 1 0 381.782 2.491 20 0 GEADRO O=C(NCCSc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551496224 651125953 /nfs/dbraw/zinc/12/59/53/651125953.db2.gz JEMIUBTZDULJJQ-HZPDHXFCSA-N 1 0 381.929 2.291 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)ccc1F ZINC000551498295 651125966 /nfs/dbraw/zinc/12/59/66/651125966.db2.gz UJOSMFKDHOKVDW-UHFFFAOYSA-N 1 0 394.896 2.373 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3F)C2)CC1 ZINC000551512440 651126855 /nfs/dbraw/zinc/12/68/55/651126855.db2.gz GTGTXILOWKRYID-HNNXBMFYSA-N 1 0 389.924 2.268 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c(Br)c1 ZINC000552025649 651138343 /nfs/dbraw/zinc/13/83/43/651138343.db2.gz GBJRLCJEURQNHV-SCLBCKFNSA-N 1 0 397.313 2.098 20 0 GEADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552026951 651138419 /nfs/dbraw/zinc/13/84/19/651138419.db2.gz NCGOGDCOFAJDMH-SFHVURJKSA-N 1 0 397.313 2.423 20 0 GEADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552208519 651143699 /nfs/dbraw/zinc/14/36/99/651143699.db2.gz QAUKHOFGOWCBSO-UGSOOPFHSA-N 1 0 381.314 2.201 20 0 GEADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552324519 651146676 /nfs/dbraw/zinc/14/66/76/651146676.db2.gz BEXHTEUPEQSPFX-FZMZJTMJSA-N 1 0 392.352 2.344 20 0 GEADRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000552905369 651160825 /nfs/dbraw/zinc/16/08/25/651160825.db2.gz APJRVSMRXPVLPU-LBPRGKRZSA-N 1 0 375.274 2.484 20 0 GEADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nc(C)sc3Br)C2)CC1 ZINC000553091003 651164671 /nfs/dbraw/zinc/16/46/71/651164671.db2.gz HAMHCPCYXWGRJM-GFCCVEGCSA-N 1 0 387.347 2.066 20 0 GEADRO C[NH+](C)CCCCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000553267070 651170214 /nfs/dbraw/zinc/17/02/14/651170214.db2.gz FTQDJFDVLWYGRR-UHFFFAOYSA-N 1 0 396.340 2.120 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000554090002 651197676 /nfs/dbraw/zinc/19/76/76/651197676.db2.gz KNJMRLAEIXWXAO-SWLSCSKDSA-N 1 0 390.347 2.371 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000554720284 651211708 /nfs/dbraw/zinc/21/17/08/651211708.db2.gz LJEWYMZYODOFAK-OAHLLOKOSA-N 1 0 390.347 2.200 20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000554720283 651211718 /nfs/dbraw/zinc/21/17/18/651211718.db2.gz LJEWYMZYODOFAK-HNNXBMFYSA-N 1 0 390.347 2.200 20 0 GEADRO CCOC(=O)CC1(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000554810981 651213723 /nfs/dbraw/zinc/21/37/23/651213723.db2.gz XGBBLRSHTACJNM-AWEZNQCLSA-N 1 0 386.539 2.290 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000555173274 651219966 /nfs/dbraw/zinc/21/99/66/651219966.db2.gz IBYQWQTWPMPDAR-HUUCEWRRSA-N 1 0 387.571 2.138 20 0 GEADRO CCC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000555754025 651229378 /nfs/dbraw/zinc/22/93/78/651229378.db2.gz JCMGQXWLEDZHHH-UHFFFAOYSA-N 1 0 382.302 2.056 20 0 GEADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000555953820 651234414 /nfs/dbraw/zinc/23/44/14/651234414.db2.gz IMRVKOUNDDLTKA-LLVKDONJSA-N 1 0 393.285 2.013 20 0 GEADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000555953821 651234485 /nfs/dbraw/zinc/23/44/85/651234485.db2.gz IMRVKOUNDDLTKA-NSHDSACASA-N 1 0 393.285 2.013 20 0 GEADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000556180143 651237865 /nfs/dbraw/zinc/23/78/65/651237865.db2.gz FYTDRAJJQNMESV-DAXOMENPSA-N 1 0 380.286 2.459 20 0 GEADRO CNC(=O)C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000556262673 651239078 /nfs/dbraw/zinc/23/90/78/651239078.db2.gz ZCLVSTOXBNOATI-XJKSGUPXSA-N 1 0 392.297 2.466 20 0 GEADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000556516553 651245998 /nfs/dbraw/zinc/24/59/98/651245998.db2.gz GMRAJCOXCBMHNF-KRWDZBQOSA-N 1 0 392.301 2.277 20 0 GEADRO C[C@H]1C[C@@H](NCC(=O)Nc2ccc(I)cc2)CC[N@@H+]1C ZINC000556606223 651247802 /nfs/dbraw/zinc/24/78/02/651247802.db2.gz UYFUNPMRTPFAPQ-FZMZJTMJSA-N 1 0 387.265 2.302 20 0 GEADRO Cc1cc(Br)cn2c(CN3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)cnc12 ZINC000556615953 651248115 /nfs/dbraw/zinc/24/81/15/651248115.db2.gz FOPHEOAEAUEIEC-KBPBESRZSA-N 1 0 381.318 2.292 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](O)C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556639958 651248644 /nfs/dbraw/zinc/24/86/44/651248644.db2.gz NRRVZEIZZPTUNJ-HONMWMINSA-N 1 0 379.810 2.397 20 0 GEADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556744051 651251226 /nfs/dbraw/zinc/25/12/26/651251226.db2.gz GMRICCCMUAKCPI-JTQLQIEISA-N 1 0 378.274 2.361 20 0 GEADRO O=C(NCc1ccsc1Br)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000556959649 651258463 /nfs/dbraw/zinc/25/84/63/651258463.db2.gz YQLUYXGFERBZNH-UHFFFAOYSA-N 1 0 394.294 2.411 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000557024955 651260421 /nfs/dbraw/zinc/26/04/21/651260421.db2.gz SAFBQHPBSFSVJA-ZETCQYMHSA-N 1 0 382.180 2.260 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)CC2=O)ccc1Br ZINC000557063490 651261448 /nfs/dbraw/zinc/26/14/48/651261448.db2.gz YFMKCDPHYDOGLH-OCCSQVGLSA-N 1 0 396.329 2.424 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000557096953 651262564 /nfs/dbraw/zinc/26/25/64/651262564.db2.gz BDOXPCNVYQOOSV-XJKCOSOUSA-N 1 0 385.302 2.130 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000557147275 651264870 /nfs/dbraw/zinc/26/48/70/651264870.db2.gz MONGHXKIESQASP-KBPBESRZSA-N 1 0 381.318 2.327 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000557227189 651266599 /nfs/dbraw/zinc/26/65/99/651266599.db2.gz FTCSFBDASKYKTD-INIZCTEOSA-N 1 0 380.286 2.452 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000557253070 651267415 /nfs/dbraw/zinc/26/74/15/651267415.db2.gz WQTKVTXKBWLWIN-CQSZACIVSA-N 1 0 396.329 2.235 20 0 GEADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000557347684 651268861 /nfs/dbraw/zinc/26/88/61/651268861.db2.gz WVKUJJDIERCQHV-LSDHHAIUSA-N 1 0 376.881 2.386 20 0 GEADRO CC(C)Cc1ncnc(NCC2=CC[N@H+](C)CC2)c1I ZINC000557646563 651271100 /nfs/dbraw/zinc/27/11/00/651271100.db2.gz LSZNHHHIWNCIHW-UHFFFAOYSA-N 1 0 386.281 2.954 20 0 GEADRO CC[C@@H](Cn1cncn1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000558504462 651281052 /nfs/dbraw/zinc/28/10/52/651281052.db2.gz UOKHTQVJWGQFKU-HNNXBMFYSA-N 1 0 394.317 2.458 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000559282150 651294958 /nfs/dbraw/zinc/29/49/58/651294958.db2.gz IMTZBAONGLADTB-OCCSQVGLSA-N 1 0 387.343 2.178 20 0 GEADRO Clc1ccc(-n2cc(C[NH2+]CCc3nnc4n3CCC4)nn2)c(Cl)c1 ZINC000559337428 651295892 /nfs/dbraw/zinc/29/58/92/651295892.db2.gz ZLHULBOMPJOTSR-UHFFFAOYSA-N 1 0 378.267 2.444 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000559607024 651298798 /nfs/dbraw/zinc/29/87/98/651298798.db2.gz UZUFLEIYHALTRM-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000559650831 651300298 /nfs/dbraw/zinc/30/02/98/651300298.db2.gz LTFZRIVSFUHPSD-ZDUSSCGKSA-N 1 0 398.345 2.200 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560024949 651303755 /nfs/dbraw/zinc/30/37/55/651303755.db2.gz YNOPDLPHTHVNBQ-CVEARBPZSA-N 1 0 394.313 2.151 20 0 GEADRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3ncncc3Br)C2)CC1 ZINC000560233034 651305333 /nfs/dbraw/zinc/30/53/33/651305333.db2.gz WXEAFSQDFBGECZ-OAHLLOKOSA-N 1 0 396.333 2.010 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000560671192 651313774 /nfs/dbraw/zinc/31/37/74/651313774.db2.gz LNXJUNAXBYBGHU-SLEUVZQESA-N 1 0 382.302 2.225 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000560668856 651313791 /nfs/dbraw/zinc/31/37/91/651313791.db2.gz ADSOMZKIMSYBDK-ZDUSSCGKSA-N 1 0 384.318 2.254 20 0 GEADRO CSCCCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000560677528 651313983 /nfs/dbraw/zinc/31/39/83/651313983.db2.gz XCWCTLRGQNCMDT-HNNXBMFYSA-N 1 0 383.583 2.288 20 0 GEADRO Cc1cc(NC(=O)CC[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)no1 ZINC000560859738 651470649 /nfs/dbraw/zinc/47/06/49/651470649.db2.gz WVRKIPLXRKDKPX-NSHDSACASA-N 1 0 388.251 2.648 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+][C@H]2CCCOc3c(Br)cccc32)C1 ZINC000560920016 651472359 /nfs/dbraw/zinc/47/23/59/651472359.db2.gz PEWMWDFVNHKFOF-FZMZJTMJSA-N 1 0 390.299 2.066 20 0 GEADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000642692641 651473747 /nfs/dbraw/zinc/47/37/47/651473747.db2.gz IXRPWIPCEJTJFZ-KSSFIOAISA-N 1 0 379.913 2.205 20 0 GEADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000642692639 651473775 /nfs/dbraw/zinc/47/37/75/651473775.db2.gz IXRPWIPCEJTJFZ-KBXCAEBGSA-N 1 0 379.913 2.205 20 0 GEADRO COC(=O)CC1(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)CC1 ZINC000603248927 651474339 /nfs/dbraw/zinc/47/43/39/651474339.db2.gz NGRKURKSEBJTPV-HNNXBMFYSA-N 1 0 379.258 2.432 20 0 GEADRO [NH3+]CCSCc1cn(C[C@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000603257852 651474609 /nfs/dbraw/zinc/47/46/09/651474609.db2.gz KSSKAWNPXXNDQV-LBPRGKRZSA-N 1 0 377.297 2.217 20 0 GEADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C2OCCO2)C1)c1ccc(Br)cc1 ZINC000719058265 651475816 /nfs/dbraw/zinc/47/58/16/651475816.db2.gz NNOJPVAGQQPZHN-TZMCWYRMSA-N 1 0 383.286 2.321 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)c2Br)C1 ZINC000719404451 651475925 /nfs/dbraw/zinc/47/59/25/651475925.db2.gz FMJIORIIODLGKR-SNVBAGLBSA-N 1 0 381.723 2.474 20 0 GEADRO COc1ccc(Br)c2[nH]c(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc21 ZINC000642950372 651476101 /nfs/dbraw/zinc/47/61/01/651476101.db2.gz IXXICCSCZYDIMV-QGZVFWFLSA-N 1 0 398.301 2.372 20 0 GEADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1cncs1 ZINC000721752257 651477332 /nfs/dbraw/zinc/47/73/32/651477332.db2.gz LHHJPMSROOHAIV-QWHCGFSZSA-N 1 0 389.543 2.218 20 0 GEADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643069250 651477532 /nfs/dbraw/zinc/47/75/32/651477532.db2.gz QFAFYJRXHKGGAI-FRFSOERESA-N 1 0 380.330 2.480 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000725788285 651479101 /nfs/dbraw/zinc/47/91/01/651479101.db2.gz SWARXLLEHIILBX-CYBMUJFWSA-N 1 0 379.448 2.418 20 0 GEADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000725895887 651482260 /nfs/dbraw/zinc/48/22/60/651482260.db2.gz IVYVBJATPRUUQP-KBPBESRZSA-N 1 0 383.279 2.163 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCc2c1cccc2Br ZINC000643274380 651482417 /nfs/dbraw/zinc/48/24/17/651482417.db2.gz MVXJSRRBSAOYHS-CYBMUJFWSA-N 1 0 394.313 2.329 20 0 GEADRO CCOC(=O)CC(C)(C)CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000561867355 651483601 /nfs/dbraw/zinc/48/36/01/651483601.db2.gz SSHUBFNWUQWEMI-HZPDHXFCSA-N 1 0 375.531 2.024 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000643398500 651485554 /nfs/dbraw/zinc/48/55/54/651485554.db2.gz RXLYNSNBYHCNJD-INIZCTEOSA-N 1 0 396.329 2.098 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000643407967 651485942 /nfs/dbraw/zinc/48/59/42/651485942.db2.gz IUACVZHPIZOMOQ-AWEZNQCLSA-N 1 0 396.329 2.222 20 0 GEADRO CC[N@H+](CCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C1CC1 ZINC000726194699 651487834 /nfs/dbraw/zinc/48/78/34/651487834.db2.gz JRWFHLZLQLMIDR-UHFFFAOYSA-N 1 0 379.917 2.488 20 0 GEADRO CSc1ccc(C[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)s1 ZINC000562211223 651489068 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CN1C(=O)C[C@H]([NH2+]CCn2cc(Br)ccc2=O)c2ccccc21 ZINC000562572091 651496903 /nfs/dbraw/zinc/49/69/03/651496903.db2.gz UEYIUMBCLVLSAN-AWEZNQCLSA-N 1 0 376.254 2.308 20 0 GEADRO CC[N@H+](CCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(C)C ZINC000726606911 651498146 /nfs/dbraw/zinc/49/81/46/651498146.db2.gz FNFTZDXYUFMNTR-AWEZNQCLSA-N 1 0 376.954 2.024 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000562757879 651501370 /nfs/dbraw/zinc/50/13/70/651501370.db2.gz QHUFCOUJGLVWQP-NSHDSACASA-N 1 0 380.286 2.074 20 0 GEADRO COc1ccc(C(=O)NCCCN2CCC[N@H+](C)CC2)cc1Br ZINC000603898808 651502408 /nfs/dbraw/zinc/50/24/08/651502408.db2.gz MHBJTBUUEQKPSJ-UHFFFAOYSA-N 1 0 384.318 2.215 20 0 GEADRO CN(C)c1nc2sc(C(=O)NCCCN3CCC[N@H+](C)CC3)cc2s1 ZINC000603898427 651502755 /nfs/dbraw/zinc/50/27/55/651502755.db2.gz MZSMUYGWKAFTMZ-UHFFFAOYSA-N 1 0 381.571 2.181 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000562977609 651504759 /nfs/dbraw/zinc/50/47/59/651504759.db2.gz 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C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000568154809 651652810 /nfs/dbraw/zinc/65/28/10/651652810.db2.gz PELJWIANSUQDCR-CJNGLKHVSA-N 1 0 381.929 2.313 20 0 GEADRO COCC[N@H+](C)C[C@H](O)CN1CC=C(c2cccc(Br)c2)CC1 ZINC000568166514 651654028 /nfs/dbraw/zinc/65/40/28/651654028.db2.gz MMJQFNYIUUIRIU-SFHVURJKSA-N 1 0 383.330 2.477 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000568216636 651656753 /nfs/dbraw/zinc/65/67/53/651656753.db2.gz XOCSWSDXOUDMMU-GFCCVEGCSA-N 1 0 388.262 2.180 20 0 GEADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N(C)CCC[NH3+])c(C)c2)s1 ZINC000568369461 651664288 /nfs/dbraw/zinc/66/42/88/651664288.db2.gz GWOXWQGBFSWLOF-UHFFFAOYSA-N 1 0 379.511 2.052 20 0 GEADRO CC1(C)COCCN1CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000568384175 651664707 /nfs/dbraw/zinc/66/47/07/651664707.db2.gz ZYSKFCLJHDNOEQ-CQSZACIVSA-N 1 0 377.312 2.434 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000568425631 651668151 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CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cn(C)nc2C(F)F)CC1 ZINC000568679021 651676206 /nfs/dbraw/zinc/67/62/06/651676206.db2.gz YMUSUNOONCZUFU-LBPRGKRZSA-N 1 0 378.489 2.240 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCO[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000646054360 651677050 /nfs/dbraw/zinc/67/70/50/651677050.db2.gz UEOPUSYXOSHDBE-DGCLKSJQSA-N 1 0 381.192 2.413 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H](C[NH3+])C3)nc12 ZINC000568738015 651677803 /nfs/dbraw/zinc/67/78/03/651677803.db2.gz KDUFWRLTDFGNMU-GFCCVEGCSA-N 1 0 380.290 2.286 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1Br ZINC000732894918 651680046 /nfs/dbraw/zinc/68/00/46/651680046.db2.gz QGSWPOOESQVMMJ-LBPRGKRZSA-N 1 0 398.301 2.387 20 0 GEADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccccc1Br ZINC000646202751 651681420 /nfs/dbraw/zinc/68/14/20/651681420.db2.gz CLTQPOZNLRERRT-CVEARBPZSA-N 1 0 394.313 2.371 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000646220634 651682640 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GEADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000733166566 651691924 /nfs/dbraw/zinc/69/19/24/651691924.db2.gz IGILKNIYJKMIQE-CYBMUJFWSA-N 1 0 380.290 2.346 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)N[C@@H](c1nccs1)C(F)(F)F)CCO2 ZINC000646413676 651694635 /nfs/dbraw/zinc/69/46/35/651694635.db2.gz POBCLLLJLRFKKS-NSHDSACASA-N 1 0 378.420 2.253 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]CCc1ccc(F)cc1Cl ZINC000569057856 651696979 /nfs/dbraw/zinc/69/69/79/651696979.db2.gz HGUGMISHDIRLOC-UHFFFAOYSA-N 1 0 393.893 2.060 20 0 GEADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000646461186 651698478 /nfs/dbraw/zinc/69/84/78/651698478.db2.gz QGYSDAWUERINAB-CYBMUJFWSA-N 1 0 386.323 2.467 20 0 GEADRO C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CN2CC[NH+](C3CCC3)CC2)C1=O ZINC000733296647 651698674 /nfs/dbraw/zinc/69/86/74/651698674.db2.gz BIIGWDVFALUAIC-KRWDZBQOSA-N 1 0 382.917 2.296 20 0 GEADRO CCC[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC)S(N)(=O)=O ZINC000646572530 651703186 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C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000569463975 651715826 /nfs/dbraw/zinc/71/58/26/651715826.db2.gz AJAOWQXFGFMQMU-XJKSGUPXSA-N 1 0 396.329 2.049 20 0 GEADRO C[NH2+]CC1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000569487259 651717114 /nfs/dbraw/zinc/71/71/14/651717114.db2.gz QLIHXVNGKYZTCP-UHFFFAOYSA-N 1 0 383.286 2.221 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)cc(OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646766080 651717699 /nfs/dbraw/zinc/71/76/99/651717699.db2.gz RQODAXHOIJRDIL-CQSZACIVSA-N 1 0 398.301 2.339 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(OC)cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000646763618 651717795 /nfs/dbraw/zinc/71/77/95/651717795.db2.gz DXISGIVKJGJZAS-GFCCVEGCSA-N 1 0 398.301 2.339 20 0 GEADRO O=C(NCC[NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccs1 ZINC000569594962 651719587 /nfs/dbraw/zinc/71/95/87/651719587.db2.gz JGNQPVSBUYVIAJ-ZDUSSCGKSA-N 1 0 399.310 2.270 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000646803644 651720606 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Cc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)nnn1-c1cccc(Br)c1 ZINC000646917833 651727633 /nfs/dbraw/zinc/72/76/33/651727633.db2.gz IGNHOLQZZUUBDB-IUODEOHRSA-N 1 0 390.285 2.114 20 0 GEADRO CC[S@](=O)CC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000733900659 651728549 /nfs/dbraw/zinc/72/85/49/651728549.db2.gz YMIHKAXKLVYOOZ-IBGZPJMESA-N 1 0 397.278 2.167 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000569846751 651728760 /nfs/dbraw/zinc/72/87/60/651728760.db2.gz YULBHYHMUGDTFV-OLZOCXBDSA-N 1 0 396.329 2.229 20 0 GEADRO Brc1ccccc1-n1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)nn1 ZINC000569861348 651729709 /nfs/dbraw/zinc/72/97/09/651729709.db2.gz WEXXLYHGMDALGC-GUYCJALGSA-N 1 0 393.285 2.458 20 0 GEADRO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000569912848 651732960 /nfs/dbraw/zinc/73/29/60/651732960.db2.gz KHVPKPYAQFSEIP-ZDUSSCGKSA-N 1 0 392.352 2.299 20 0 GEADRO Cc1c2cc(C(=O)NCC3(O)CC[NH+](C)CC3)[nH]c2ccc1Br ZINC000611694925 651733094 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CC(C)[NH2+]CCCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000647211824 651736705 /nfs/dbraw/zinc/73/67/05/651736705.db2.gz CXQOXOHCZWHZRR-UHFFFAOYSA-N 1 0 378.336 2.182 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000611972591 651740080 /nfs/dbraw/zinc/74/00/80/651740080.db2.gz NAWXRQBHVNDLDF-AWEZNQCLSA-N 1 0 396.329 2.363 20 0 GEADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)C1 ZINC000647278208 651740537 /nfs/dbraw/zinc/74/05/37/651740537.db2.gz OOUAHKQYDJGTON-LLVKDONJSA-N 1 0 386.315 2.313 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1Cl ZINC000734244945 651740808 /nfs/dbraw/zinc/74/08/08/651740808.db2.gz ZTGYZQSPNUMUTC-CQSZACIVSA-N 1 0 376.881 2.401 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647284146 651740979 /nfs/dbraw/zinc/74/09/79/651740979.db2.gz DSQCBYMJCQFCEW-HZMBPMFUSA-N 1 0 386.315 2.217 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1Cl ZINC000647286868 651741615 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C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)/C=C\c3ccccc3Cl)CC2)C1 ZINC000734506028 651748514 /nfs/dbraw/zinc/74/85/14/651748514.db2.gz ZLEOZMZPEBIXEW-XMCSSRMMSA-N 1 0 383.945 2.352 20 0 GEADRO O[C@H](CNC[C@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)c(Cl)c1 ZINC000647517807 651749327 /nfs/dbraw/zinc/74/93/27/651749327.db2.gz GGCRUXQJTBORCF-UONOGXRCSA-N 1 0 377.312 2.170 20 0 GEADRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000570158325 651750761 /nfs/dbraw/zinc/75/07/61/651750761.db2.gz OTJUZEXEDYCAFM-LLVKDONJSA-N 1 0 395.301 2.162 20 0 GEADRO O[C@@H](CNC[C@H](O)C[NH+]1CCCCC1)COc1cc(Cl)ccc1Cl ZINC000570162026 651750772 /nfs/dbraw/zinc/75/07/72/651750772.db2.gz CZKQOSIGWINZBO-GJZGRUSLSA-N 1 0 377.312 2.170 20 0 GEADRO CC[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])Cc1cccc(Br)c1 ZINC000570187702 651751652 /nfs/dbraw/zinc/75/16/52/651751652.db2.gz LHBYACHOYBHXMH-RHSMWYFYSA-N 1 0 397.361 2.302 20 0 GEADRO CC[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])Cc1cccc(Br)c1 ZINC000570187704 651751710 /nfs/dbraw/zinc/75/17/10/651751710.db2.gz LHBYACHOYBHXMH-YOEHRIQHSA-N 1 0 397.361 2.302 20 0 GEADRO CN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1(C[NH3+])CCC1 ZINC000570201608 651752772 /nfs/dbraw/zinc/75/27/72/651752772.db2.gz XYJWCNLSGLSWCC-LBPRGKRZSA-N 1 0 380.286 2.142 20 0 GEADRO O=C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)Nc1cccc(I)c1 ZINC000570207787 651753259 /nfs/dbraw/zinc/75/32/59/651753259.db2.gz NOGKTXSCQVBRKS-RISCZKNCSA-N 1 0 386.233 2.341 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(Cl)cc(F)c1Br ZINC000647712045 651754797 /nfs/dbraw/zinc/75/47/97/651754797.db2.gz QODLURKEPBUXCU-SNVBAGLBSA-N 1 0 379.657 2.428 20 0 GEADRO CC[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000570259652 651755497 /nfs/dbraw/zinc/75/54/97/651755497.db2.gz MBXOLQMNBUOKJN-HOCLYGCPSA-N 1 0 390.933 2.484 20 0 GEADRO Cc1c2cc(Br)ccc2oc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647771222 651757880 /nfs/dbraw/zinc/75/78/80/651757880.db2.gz HSZOZFJLILRVLE-UHFFFAOYSA-N 1 0 380.286 2.481 20 0 GEADRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000647776806 651758585 /nfs/dbraw/zinc/75/85/85/651758585.db2.gz WGBWFGABBXEMQM-UHFFFAOYSA-N 1 0 382.295 2.156 20 0 GEADRO CN(C)[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)CCSC1 ZINC000570322952 651760412 /nfs/dbraw/zinc/76/04/12/651760412.db2.gz PHYXLUCUUOTFLJ-CZUORRHYSA-N 1 0 378.460 2.472 20 0 GEADRO O=S(=O)(CCN(C1CC1)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000647814599 651760605 /nfs/dbraw/zinc/76/06/05/651760605.db2.gz VLHXBYSCUYNBNY-UHFFFAOYSA-N 1 0 387.343 2.439 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)s2)C1 ZINC000612551938 651760785 /nfs/dbraw/zinc/76/07/85/651760785.db2.gz RCPHHHNHFJRSRI-NSHDSACASA-N 1 0 388.331 2.070 20 0 GEADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC(C)(C)CCC[NH3+])c1 ZINC000570337814 651761488 /nfs/dbraw/zinc/76/14/88/651761488.db2.gz LVSNBSWOIDKMDG-UHFFFAOYSA-N 1 0 382.404 2.288 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000647833514 651761982 /nfs/dbraw/zinc/76/19/82/651761982.db2.gz OMKFFULEAZJMPD-SMDDNHRTSA-N 1 0 383.286 2.314 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000647830916 651762151 /nfs/dbraw/zinc/76/21/51/651762151.db2.gz CLHKCLGHZWIXSC-VNHYZAJKSA-N 1 0 394.313 2.353 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Br)c1 ZINC000570365548 651763066 /nfs/dbraw/zinc/76/30/66/651763066.db2.gz NUJAKRXAOSVLAZ-CABCVRRESA-N 1 0 391.331 2.408 20 0 GEADRO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000570368512 651763563 /nfs/dbraw/zinc/76/35/63/651763563.db2.gz GPEGDLKCQXVSAC-QNSHHTMESA-N 1 0 381.219 2.309 20 0 GEADRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC)C1CC1 ZINC000570386127 651764648 /nfs/dbraw/zinc/76/46/48/651764648.db2.gz DPFYMFZLKRCICG-UHFFFAOYSA-N 1 0 389.905 2.070 20 0 GEADRO FC(F)[C@H]1C[NH2+]CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000647967814 651767934 /nfs/dbraw/zinc/76/79/34/651767934.db2.gz MGYUGPJRCPEBIU-GFCCVEGCSA-N 1 0 387.228 2.462 20 0 GEADRO [NH3+][C@H](C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000647989041 651768376 /nfs/dbraw/zinc/76/83/76/651768376.db2.gz AQHXDGDLRMNWIF-ZDUSSCGKSA-N 1 0 377.794 2.257 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000647989040 651768483 /nfs/dbraw/zinc/76/84/83/651768483.db2.gz AQHXDGDLRMNWIF-CYBMUJFWSA-N 1 0 377.794 2.257 20 0 GEADRO CC1(OCC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C[NH2+]C1 ZINC000647991690 651769234 /nfs/dbraw/zinc/76/92/34/651769234.db2.gz YWGVAJAKZDWPID-AWEZNQCLSA-N 1 0 386.279 2.301 20 0 GEADRO COCc1c(Br)cccc1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000648014905 651769906 /nfs/dbraw/zinc/76/99/06/651769906.db2.gz DEYXXZHYTXMEEB-NSHDSACASA-N 1 0 394.273 2.191 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1cc(Br)ccc1F ZINC000648041083 651771053 /nfs/dbraw/zinc/77/10/53/651771053.db2.gz GRTVXJFUYAZJRM-QWHCGFSZSA-N 1 0 397.292 2.267 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000648048439 651771655 /nfs/dbraw/zinc/77/16/55/651771655.db2.gz FBQSBFKAHFHFBP-ZSHCYNCHSA-N 1 0 392.297 2.092 20 0 GEADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648054605 651772066 /nfs/dbraw/zinc/77/20/66/651772066.db2.gz PSGSDTJQMJMVHR-WQVCFCJDSA-N 1 0 392.297 2.377 20 0 GEADRO [NH3+][C@H](C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000648057603 651772242 /nfs/dbraw/zinc/77/22/42/651772242.db2.gz CBQUIPWXHYNCED-AWEZNQCLSA-N 1 0 377.794 2.399 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735220731 651772810 /nfs/dbraw/zinc/77/28/10/651772810.db2.gz CNMPBOUEAPAFAO-INIZCTEOSA-N 1 0 391.265 2.429 20 0 GEADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccsc1Cl ZINC000612895700 651774906 /nfs/dbraw/zinc/77/49/06/651774906.db2.gz KBBPRBKILVRVGY-HNNXBMFYSA-N 1 0 379.913 2.420 20 0 GEADRO C[C@H](CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[NH+]1CCCC1 ZINC000570565706 651775061 /nfs/dbraw/zinc/77/50/61/651775061.db2.gz VTVIQQLDALBVJU-LLVKDONJSA-N 1 0 398.276 2.078 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000648182191 651775867 /nfs/dbraw/zinc/77/58/67/651775867.db2.gz BRXQLOXWYJEBEG-CQSZACIVSA-N 1 0 382.913 2.437 20 0 GEADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000612967958 651776708 /nfs/dbraw/zinc/77/67/08/651776708.db2.gz SQLCEMWUNJKXCR-AWEZNQCLSA-N 1 0 384.311 2.362 20 0 GEADRO CO[C@@H]1C[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C12CCC2 ZINC000570609700 651777653 /nfs/dbraw/zinc/77/76/53/651777653.db2.gz LRCPNBMCFZRBIV-UONOGXRCSA-N 1 0 378.274 2.472 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](O)CC(C)(C)C ZINC000735323510 651777818 /nfs/dbraw/zinc/77/78/18/651777818.db2.gz AXWGGLKXMVEGJO-OLZOCXBDSA-N 1 0 377.938 2.091 20 0 GEADRO CO[C@H]1C[C@@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C12CCC2 ZINC000570609699 651777772 /nfs/dbraw/zinc/77/77/72/651777772.db2.gz LRCPNBMCFZRBIV-KGLIPLIRSA-N 1 0 378.274 2.472 20 0 GEADRO OC1CCN(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000570640850 651780056 /nfs/dbraw/zinc/78/00/56/651780056.db2.gz SPEYWAITTXJFGT-UHFFFAOYSA-N 1 0 379.302 2.386 20 0 GEADRO C[NH+](C)CCOCCNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000613284902 651780768 /nfs/dbraw/zinc/78/07/68/651780768.db2.gz JXAUWOYPXPWIER-UHFFFAOYSA-N 1 0 387.171 2.314 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1F ZINC000570664080 651781878 /nfs/dbraw/zinc/78/18/78/651781878.db2.gz LVFXOIRYPVBTFY-HOSYDEDBSA-N 1 0 384.249 2.031 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(Br)cc4c3OCCO4)[C@@H]2C1 ZINC000613328137 651782903 /nfs/dbraw/zinc/78/29/03/651782903.db2.gz JUTLVNRFQLNXSL-BXUZGUMPSA-N 1 0 381.270 2.387 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000570687401 651783863 /nfs/dbraw/zinc/78/38/63/651783863.db2.gz VBPZTNBFQCWCOH-PBHICJAKSA-N 1 0 397.317 2.001 20 0 GEADRO C[NH+]1CCC(C)(CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000613350937 651784049 /nfs/dbraw/zinc/78/40/49/651784049.db2.gz VQXBYAJXGXBWSW-UHFFFAOYSA-N 1 0 381.274 2.493 20 0 GEADRO OC[C@@H](CN1CCCCC1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000570842982 651795316 /nfs/dbraw/zinc/79/53/16/651795316.db2.gz JTFLNELOMKYYFC-HUUCEWRRSA-N 1 0 377.312 2.170 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](C)n2cc(Br)cn2)C1 ZINC000648719528 651796674 /nfs/dbraw/zinc/79/66/74/651796674.db2.gz ACDBRFMGSNPPEL-ZFWWWQNUSA-N 1 0 387.322 2.070 20 0 GEADRO COc1ccc(CCC(=O)NCC[N@@H+]2CCCOCC2)c(Br)c1 ZINC000613798556 651797493 /nfs/dbraw/zinc/79/74/93/651797493.db2.gz XIIIPRCJRZDYOO-UHFFFAOYSA-N 1 0 385.302 2.229 20 0 GEADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(F)cc1F ZINC000648763426 651800112 /nfs/dbraw/zinc/80/01/12/651800112.db2.gz UHVUWTNHQLSURY-GHMZBOCLSA-N 1 0 375.441 2.395 20 0 GEADRO C[C@@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)n1cc(Br)cn1 ZINC000648771338 651801029 /nfs/dbraw/zinc/80/10/29/651801029.db2.gz OKHFPVIHEUWUSR-AWEZNQCLSA-N 1 0 399.333 2.358 20 0 GEADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000570962801 651802747 /nfs/dbraw/zinc/80/27/47/651802747.db2.gz LRQQFQPUGKIEEG-UHFFFAOYSA-N 1 0 391.921 2.317 20 0 GEADRO CC1(C)CC[N@H+](CC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000570982893 651803699 /nfs/dbraw/zinc/80/36/99/651803699.db2.gz GLUBLTIAANWTDX-HNNXBMFYSA-N 1 0 383.330 2.448 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2cccc(I)c2)C1 ZINC000571046020 651808072 /nfs/dbraw/zinc/80/80/72/651808072.db2.gz SURIMTBKXUGHIB-ZYHUDNBSSA-N 1 0 394.278 2.087 20 0 GEADRO CO[C@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@@H](C[NH3+])C1 ZINC000571073945 651809643 /nfs/dbraw/zinc/80/96/43/651809643.db2.gz NYYKJAGXCGGRGJ-CVEARBPZSA-N 1 0 393.285 2.213 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614065129 651810825 /nfs/dbraw/zinc/81/08/25/651810825.db2.gz LADKEQCTOAOECU-GUYCJALGSA-N 1 0 385.302 2.132 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2c(F)cc(Br)cc2F)C1 ZINC000614066967 651811425 /nfs/dbraw/zinc/81/14/25/651811425.db2.gz MYYUXGPDAYIJER-OAHLLOKOSA-N 1 0 377.229 2.256 20 0 GEADRO Cc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(C)c1Br ZINC000649072081 651813749 /nfs/dbraw/zinc/81/37/49/651813749.db2.gz YUVIAIQAHFJTFY-ZDUSSCGKSA-N 1 0 382.302 2.258 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000649079045 651815545 /nfs/dbraw/zinc/81/55/45/651815545.db2.gz VQAVFFVKSBREGW-NSHDSACASA-N 1 0 393.285 2.122 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Cl)ccc1Br ZINC000649078600 651815647 /nfs/dbraw/zinc/81/56/47/651815647.db2.gz MGZQQEHMKYKHRT-JTQLQIEISA-N 1 0 388.693 2.295 20 0 GEADRO CN1CC[C@H]([NH+]2CCC(NC(=O)CSc3ccc(Cl)cc3)CC2)C1=O ZINC000571207504 651817568 /nfs/dbraw/zinc/81/75/68/651817568.db2.gz AKCUWYNKXJNADI-INIZCTEOSA-N 1 0 381.929 2.243 20 0 GEADRO [NH3+]Cc1ccc(C(=O)NCc2ccc(Br)cc2N2CCOCC2)o1 ZINC000649378509 651824462 /nfs/dbraw/zinc/82/44/62/651824462.db2.gz CDICBFYQPCBWDU-UHFFFAOYSA-N 1 0 394.269 2.267 20 0 GEADRO COc1ncc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Br ZINC000614432540 651827384 /nfs/dbraw/zinc/82/73/84/651827384.db2.gz MAXFZDZHHYRDAC-CQSZACIVSA-N 1 0 398.301 2.180 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(Br)cc2F)C1 ZINC000736660898 651829685 /nfs/dbraw/zinc/82/96/85/651829685.db2.gz NKCUAVAFCRTYPD-AWEZNQCLSA-N 1 0 388.281 2.151 20 0 GEADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000571416367 651831427 /nfs/dbraw/zinc/83/14/27/651831427.db2.gz JTJKWZSOQFZNDI-GOSISDBHSA-N 1 0 379.913 2.455 20 0 GEADRO C[C@H]([C@H](C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000571432820 651832383 /nfs/dbraw/zinc/83/23/83/651832383.db2.gz VXDBZBRBINGCKF-GUTXKFCHSA-N 1 0 377.312 2.432 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)[C@@H](C)C1 ZINC000614709712 651833828 /nfs/dbraw/zinc/83/38/28/651833828.db2.gz HXJMKKJYGBEDFD-MAZHCROVSA-N 1 0 382.302 2.474 20 0 GEADRO C[NH+](C)CCOc1cc(CNC(=O)c2nscc2Br)ccn1 ZINC000649874714 651835342 /nfs/dbraw/zinc/83/53/42/651835342.db2.gz QCXVWTMKKRNIGH-UHFFFAOYSA-N 1 0 385.287 2.171 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000571539378 651839129 /nfs/dbraw/zinc/83/91/29/651839129.db2.gz HYFWXGCIECISDR-OWCLPIDISA-N 1 0 394.313 2.022 20 0 GEADRO Cn1ncc(Cl)c1S(=O)(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000571618445 651843315 /nfs/dbraw/zinc/84/33/15/651843315.db2.gz DTJKMHCQEFLFAF-QGZVFWFLSA-N 1 0 382.917 2.407 20 0 GEADRO CSCc1ccccc1NC(=O)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000571727028 651849243 /nfs/dbraw/zinc/84/92/43/651849243.db2.gz QFXXUQWQVUSWQG-UHFFFAOYSA-N 1 0 381.567 2.432 20 0 GEADRO COc1ccc(C[C@H](CO)CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1Br ZINC000571775662 651853396 /nfs/dbraw/zinc/85/33/96/651853396.db2.gz CXMGYYPQWXXTSZ-ZFWWWQNUSA-N 1 0 399.329 2.067 20 0 GEADRO C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H](C)N1CCOCC1 ZINC000571810204 651855682 /nfs/dbraw/zinc/85/56/82/651855682.db2.gz HUGNEUKREPYDMO-ZIAGYGMSSA-N 1 0 394.317 2.229 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000615265479 651858579 /nfs/dbraw/zinc/85/85/79/651858579.db2.gz IYRXXXPKRLDTEQ-HZPDHXFCSA-N 1 0 394.313 2.197 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3cc(Cl)cc(Br)c3)C2)CC1 ZINC000615273098 651859446 /nfs/dbraw/zinc/85/94/46/651859446.db2.gz PEGYPRUKNVUJDM-UHFFFAOYSA-N 1 0 386.721 2.422 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000615293356 651860628 /nfs/dbraw/zinc/86/06/28/651860628.db2.gz VVJWRKAMUBBGKB-CHWSQXEVSA-N 1 0 382.507 2.449 20 0 GEADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000615314620 651861433 /nfs/dbraw/zinc/86/14/33/651861433.db2.gz PBRBVGQAYCWHHF-GWCFXTLKSA-N 1 0 389.315 2.017 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1I ZINC000572000946 651866497 /nfs/dbraw/zinc/86/64/97/651866497.db2.gz XJNPGRFDEKVOLN-UWVGGRQHSA-N 1 0 382.267 2.004 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000572059035 651870373 /nfs/dbraw/zinc/87/03/73/651870373.db2.gz JTTFGZQRJCGCSO-JTQLQIEISA-N 1 0 395.294 2.312 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc4c(cc3Br)CCC4)C[C@H]12 ZINC000572102010 651873291 /nfs/dbraw/zinc/87/32/91/651873291.db2.gz GYEYEMMJZCMPPS-VNHYZAJKSA-N 1 0 392.297 2.072 20 0 GEADRO C[N@@H+]1CCC[C@H](CNc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000572182145 651877960 /nfs/dbraw/zinc/87/79/60/651877960.db2.gz QFERHJNJNJCTHL-GFCCVEGCSA-N 1 0 378.274 2.144 20 0 GEADRO CSC1(CNC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCC1 ZINC000572201491 651878661 /nfs/dbraw/zinc/87/86/61/651878661.db2.gz IHWBKVAGOMALMK-OAHLLOKOSA-N 1 0 383.945 2.461 20 0 GEADRO Cc1cc(Br)cc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c1N ZINC000572235195 651880298 /nfs/dbraw/zinc/88/02/98/651880298.db2.gz ATBXNMYOPDOBKJ-LLVKDONJSA-N 1 0 379.262 2.108 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)cc3Br)C[C@@H]21 ZINC000572238336 651880302 /nfs/dbraw/zinc/88/03/02/651880302.db2.gz JPIGXMKYEASVCS-RNCFNFMXSA-N 1 0 386.677 2.204 20 0 GEADRO CC(C)(C)OC(=O)CC[N@H+](CC1CCS(=O)(=O)CC1)C1CCOCC1 ZINC000572238968 651880586 /nfs/dbraw/zinc/88/05/86/651880586.db2.gz CKACCXKKYMFRIU-UHFFFAOYSA-N 1 0 375.531 2.024 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(c2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651297481 651880573 /nfs/dbraw/zinc/88/05/73/651880573.db2.gz RRFQOVPTKJWNRC-UHFFFAOYSA-N 1 0 395.276 2.347 20 0 GEADRO O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)c1cc(Br)c[nH]1 ZINC000572355323 651887451 /nfs/dbraw/zinc/88/74/51/651887451.db2.gz WAUITOMXBRRDAK-UHFFFAOYSA-N 1 0 393.285 2.314 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651610724 651889263 /nfs/dbraw/zinc/88/92/63/651889263.db2.gz OWIRJPBLLDVALN-RLCCDNCMSA-N 1 0 376.881 2.351 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651610722 651889492 /nfs/dbraw/zinc/88/94/92/651889492.db2.gz OWIRJPBLLDVALN-HFBAOOFYSA-N 1 0 376.881 2.351 20 0 GEADRO NC(=O)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000616026976 651891225 /nfs/dbraw/zinc/89/12/25/651891225.db2.gz SLDGMOCBODFIDH-UHFFFAOYSA-N 1 0 376.254 2.068 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000572438438 651892303 /nfs/dbraw/zinc/89/23/03/651892303.db2.gz QRRWLVGWDDAYAG-APHBMKBZSA-N 1 0 388.917 2.221 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000572456114 651893196 /nfs/dbraw/zinc/89/31/96/651893196.db2.gz QYMHACKFMCWXAL-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO COc1cc(C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc(OC)c1Br ZINC000572474902 651894664 /nfs/dbraw/zinc/89/46/64/651894664.db2.gz DMNDXHRSXMNAGA-NWDGAFQWSA-N 1 0 387.274 2.045 20 0 GEADRO COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000572482141 651895101 /nfs/dbraw/zinc/89/51/01/651895101.db2.gz CTHXUYKTSFWFES-DGCLKSJQSA-N 1 0 381.475 2.420 20 0 GEADRO COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000572482143 651895106 /nfs/dbraw/zinc/89/51/06/651895106.db2.gz CTHXUYKTSFWFES-YPMHNXCESA-N 1 0 381.475 2.420 20 0 GEADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000651899510 651899802 /nfs/dbraw/zinc/89/98/02/651899802.db2.gz CHNPUJSPGXNYRW-UHFFFAOYSA-N 1 0 380.436 2.281 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)s1 ZINC000572752793 651910197 /nfs/dbraw/zinc/91/01/97/651910197.db2.gz IUFCSRLSBUWATC-CYBMUJFWSA-N 1 0 389.926 2.472 20 0 GEADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000572779550 651912111 /nfs/dbraw/zinc/91/21/11/651912111.db2.gz OLESYSRPEFZVAJ-NHYWBVRUSA-N 1 0 391.269 2.051 20 0 GEADRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000652299282 651914399 /nfs/dbraw/zinc/91/43/99/651914399.db2.gz DQHUJDRMFWOANX-DOMZBBRYSA-N 1 0 387.933 2.157 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000572822210 651914529 /nfs/dbraw/zinc/91/45/29/651914529.db2.gz TVUASDCCAZDQBC-CABCVRRESA-N 1 0 381.523 2.361 20 0 GEADRO CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000652327324 651915086 /nfs/dbraw/zinc/91/50/86/651915086.db2.gz WPBJXRTUKHASAO-WBVHZDCISA-N 1 0 390.933 2.220 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000652334761 651915656 /nfs/dbraw/zinc/91/56/56/651915656.db2.gz QQICOKYRRBZCDP-WFASDCNBSA-N 1 0 392.297 2.365 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CC(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000652349026 651915939 /nfs/dbraw/zinc/91/59/39/651915939.db2.gz ZGGCRSFRDPVDPM-YUELXQCFSA-N 1 0 397.317 2.001 20 0 GEADRO C[C@@H]1CCCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)[C@@H]1CC[NH3+] ZINC000652354117 651916169 /nfs/dbraw/zinc/91/61/69/651916169.db2.gz NLAGBJGGGGXACB-MLGOLLRUSA-N 1 0 387.933 2.131 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000572879707 651919333 /nfs/dbraw/zinc/91/93/33/651919333.db2.gz SPZZQRFIPQSMMU-RQJHMYQMSA-N 1 0 375.210 2.482 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652628056 651919928 /nfs/dbraw/zinc/91/99/28/651919928.db2.gz OSOWRPFHSADJHG-SJCJKPOMSA-N 1 0 380.286 2.283 20 0 GEADRO CC[N@H+](CCCNC(=O)c1sc(S(N)(=O)=O)cc1C)C1CCCCC1 ZINC000652755844 651923930 /nfs/dbraw/zinc/92/39/30/651923930.db2.gz OEDALKGDUQGUKF-UHFFFAOYSA-N 1 0 387.571 2.478 20 0 GEADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000617112891 651925815 /nfs/dbraw/zinc/92/58/15/651925815.db2.gz NSAJCPQRDARPCP-UHFFFAOYSA-N 1 0 398.301 2.171 20 0 GEADRO CCC[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000572977991 651926453 /nfs/dbraw/zinc/92/64/53/651926453.db2.gz VSCHFZJSMHJFMG-CQSZACIVSA-N 1 0 396.285 2.247 20 0 GEADRO C[N@H+](C[C@H]1CCS(=O)(=O)C1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000740866150 651927173 /nfs/dbraw/zinc/92/71/73/651927173.db2.gz BFZYLWGNVIZQHU-GFCCVEGCSA-N 1 0 399.310 2.088 20 0 GEADRO [NH3+]C[C@@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CCCO1 ZINC000572979183 651927658 /nfs/dbraw/zinc/92/76/58/651927658.db2.gz YHVIIVSUGZWSJD-MRXNPFEDSA-N 1 0 377.286 2.456 20 0 GEADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1(c2ccccc2Br)CCC1 ZINC000653178185 651935142 /nfs/dbraw/zinc/93/51/42/651935142.db2.gz SYJSTUVMBAFNNX-OAHLLOKOSA-N 1 0 394.313 2.203 20 0 GEADRO COC[C@]1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000573115293 651935518 /nfs/dbraw/zinc/93/55/18/651935518.db2.gz OTUXJVVVYLHTCC-KSSFIOAISA-N 1 0 396.329 2.018 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3[nH]nc(C4CC4)c3Br)C2)C1 ZINC000653186414 651935764 /nfs/dbraw/zinc/93/57/64/651935764.db2.gz LCBQTJNCIFREEU-JHJVBQTASA-N 1 0 397.317 2.408 20 0 GEADRO C[C@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@@H]1CC[NH3+] ZINC000653242886 651936672 /nfs/dbraw/zinc/93/66/72/651936672.db2.gz VTABSZAQKYJABX-IINYFYTJSA-N 1 0 396.285 2.370 20 0 GEADRO COc1ncc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000653259216 651937319 /nfs/dbraw/zinc/93/73/19/651937319.db2.gz TVODQNFUJXDDQO-NWANDNLSSA-N 1 0 398.301 2.354 20 0 GEADRO CC[N@H+](CCNC(=O)NCc1ccc([S@](C)=O)cc1)CCC(F)(F)F ZINC000617300368 651937321 /nfs/dbraw/zinc/93/73/21/651937321.db2.gz BKRQXAMTILWBGW-VWLOTQADSA-N 1 0 379.448 2.498 20 0 GEADRO O=C(NCCC1CC[NH2+]CC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000653269868 651938143 /nfs/dbraw/zinc/93/81/43/651938143.db2.gz WYQIJGXVURNHIJ-CQSZACIVSA-N 1 0 394.313 2.308 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)sc1C(F)(F)F ZINC000573176909 651938878 /nfs/dbraw/zinc/93/88/78/651938878.db2.gz UHODPSBCPACMDU-VIFPVBQESA-N 1 0 378.420 2.399 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCc1ccccc1Br ZINC000653363543 651942362 /nfs/dbraw/zinc/94/23/62/651942362.db2.gz RQAVJGNOKZNUMO-UHFFFAOYSA-N 1 0 382.302 2.010 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2=O)ccc1Br ZINC000617415094 651945226 /nfs/dbraw/zinc/94/52/26/651945226.db2.gz XSGMGXPSDMYIHB-KBPBESRZSA-N 1 0 394.313 2.321 20 0 GEADRO O=C(CC[NH2+]C[C@@]1(N2CCOCC2)CCSC1)Nc1cccc(Cl)c1 ZINC000573310882 651946458 /nfs/dbraw/zinc/94/64/58/651946458.db2.gz KVNQWXKEFKCWEL-SFHVURJKSA-N 1 0 383.945 2.466 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1OCC1CCC1 ZINC000573310747 651946574 /nfs/dbraw/zinc/94/65/74/651946574.db2.gz TZNMLRPTKVXOIU-OAHLLOKOSA-N 1 0 388.917 2.176 20 0 GEADRO CSC[C@@H](CCO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000573324236 651947762 /nfs/dbraw/zinc/94/77/62/651947762.db2.gz KWGMINFGAFZKPJ-CHWSQXEVSA-N 1 0 382.295 2.032 20 0 GEADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000617505642 651955079 /nfs/dbraw/zinc/95/50/79/651955079.db2.gz LGUFPWODQFMDBI-LBPRGKRZSA-N 1 0 396.333 2.327 20 0 GEADRO CCN(C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)[C@H]1CC[N@H+](C)C1 ZINC000617557929 651957241 /nfs/dbraw/zinc/95/72/41/651957241.db2.gz WURSKFUPVLMBRQ-MNOVXSKESA-N 1 0 388.331 2.182 20 0 GEADRO C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCCC[NH2+]1 ZINC000573474499 651958876 /nfs/dbraw/zinc/95/88/76/651958876.db2.gz YNOVIJYOXMJTLH-WCQYABFASA-N 1 0 380.341 2.392 20 0 GEADRO O=C(C(=O)N1CCc2c(Cl)cc(Cl)cc2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000573555941 651964337 /nfs/dbraw/zinc/96/43/37/651964337.db2.gz ZIGMQMXUQFMHRU-SFHVURJKSA-N 1 0 382.291 2.090 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000573563795 651965016 /nfs/dbraw/zinc/96/50/16/651965016.db2.gz IDXRAVSAWAOPCN-NSHDSACASA-N 1 0 379.309 2.369 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)C[N@H+]3CC[C@@H](C)C3)nc12 ZINC000654998758 651970138 /nfs/dbraw/zinc/97/01/38/651970138.db2.gz UIMAFUDRQPOLHS-GFCCVEGCSA-N 1 0 379.302 2.406 20 0 GEADRO C[C@H](CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[NH+](C)C ZINC000617750950 651970450 /nfs/dbraw/zinc/97/04/50/651970450.db2.gz OCNAZOYJAVQYBR-IUODEOHRSA-N 1 0 382.302 2.258 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000655008241 651970539 /nfs/dbraw/zinc/97/05/39/651970539.db2.gz VMUVURRPILHTKG-UHFFFAOYSA-N 1 0 381.274 2.146 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000617757281 651971154 /nfs/dbraw/zinc/97/11/54/651971154.db2.gz ZXKFNJMOGSAUPF-JTQLQIEISA-N 1 0 391.331 2.231 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617766268 651971493 /nfs/dbraw/zinc/97/14/93/651971493.db2.gz DJPBNONUCDKPFM-CQSZACIVSA-N 1 0 386.334 2.216 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000617776198 651972416 /nfs/dbraw/zinc/97/24/16/651972416.db2.gz KDXNIMNYSTUOJK-QGZVFWFLSA-N 1 0 383.323 2.032 20 0 GEADRO COc1cc(OC)c(S(=O)(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000573683846 651973893 /nfs/dbraw/zinc/97/38/93/651973893.db2.gz LHDZOEKFDZVGJB-OAHLLOKOSA-N 1 0 376.906 2.414 20 0 GEADRO CO[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1ccccc1Br ZINC000655069882 651975803 /nfs/dbraw/zinc/97/58/03/651975803.db2.gz FQCOMRRPMLZJAB-XJKSGUPXSA-N 1 0 385.302 2.100 20 0 GEADRO CO[C@H](C(=O)NCCC[N@H+](C)CCN(C)C)c1ccccc1Br ZINC000655082676 651977111 /nfs/dbraw/zinc/97/71/11/651977111.db2.gz OPLPQNSOONDSRN-INIZCTEOSA-N 1 0 386.334 2.136 20 0 GEADRO CO[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1Br ZINC000655120514 651979353 /nfs/dbraw/zinc/97/93/53/651979353.db2.gz LEHUCOLZCOJOOM-XJKSGUPXSA-N 1 0 385.302 2.100 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000655131815 651980346 /nfs/dbraw/zinc/98/03/46/651980346.db2.gz QXJTWHUUXJNBKJ-HOTGVXAUSA-N 1 0 398.345 2.302 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1Cl ZINC000655353297 651987628 /nfs/dbraw/zinc/98/76/28/651987628.db2.gz SMHNWWKBALIXTB-GDBMZVCRSA-N 1 0 385.917 2.458 20 0 GEADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000573917635 651988742 /nfs/dbraw/zinc/98/87/42/651988742.db2.gz AWIFSRSJDACHKY-DGCLKSJQSA-N 1 0 377.901 2.301 20 0 GEADRO CN(C)S(=O)(=O)N1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000574083493 652000475 /nfs/dbraw/zinc/00/04/75/652000475.db2.gz CMQIQIHRWYZBTE-UHFFFAOYSA-N 1 0 396.340 2.186 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1[nH]c2ccccc2c1Br ZINC000618305559 652003560 /nfs/dbraw/zinc/00/35/60/652003560.db2.gz ZEOUDLUUOSRSAJ-UHFFFAOYSA-N 1 0 395.301 2.022 20 0 GEADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000574159837 652004529 /nfs/dbraw/zinc/00/45/29/652004529.db2.gz SQAPNCRFSJGGFI-STQMWFEESA-N 1 0 381.318 2.372 20 0 GEADRO COC(=O)c1cc(NC(=O)NCC2CC[NH2+]CC2)cc(Br)c1F ZINC000574176092 652005664 /nfs/dbraw/zinc/00/56/64/652005664.db2.gz PWVSZAKFGJQQNF-UHFFFAOYSA-N 1 0 388.237 2.496 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000574182033 652006027 /nfs/dbraw/zinc/00/60/27/652006027.db2.gz ULXNBQROIQMNML-ZDUSSCGKSA-N 1 0 384.318 2.254 20 0 GEADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CS1 ZINC000655688153 652007698 /nfs/dbraw/zinc/00/76/98/652007698.db2.gz NLJAVCXDWFEEIZ-OLZOCXBDSA-N 1 0 376.569 2.143 20 0 GEADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCn1cc(Br)cn1 ZINC000618329101 652008335 /nfs/dbraw/zinc/00/83/35/652008335.db2.gz MUPXBJCUSGFJJV-MRXNPFEDSA-N 1 0 379.302 2.325 20 0 GEADRO C[NH+](C)CC1CCN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000574257045 652010844 /nfs/dbraw/zinc/01/08/44/652010844.db2.gz FELAFHKIIPYSOH-UHFFFAOYSA-N 1 0 394.310 2.014 20 0 GEADRO [NH3+]C[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)C(F)(F)F ZINC000655927673 652012727 /nfs/dbraw/zinc/01/27/27/652012727.db2.gz IZYMLVLLKMJCST-ZJUUUORDSA-N 1 0 382.180 2.462 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)C(F)(F)F ZINC000655931023 652013611 /nfs/dbraw/zinc/01/36/11/652013611.db2.gz FOKORPPOFTTWRE-VHSXEESVSA-N 1 0 377.329 2.267 20 0 GEADRO CN1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655928338 652013616 /nfs/dbraw/zinc/01/36/16/652013616.db2.gz LUQFWUFQWBMXEQ-RWMBFGLXSA-N 1 0 382.789 2.413 20 0 GEADRO COc1cc(Br)c(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1OC ZINC000574291213 652014117 /nfs/dbraw/zinc/01/41/17/652014117.db2.gz WMQYOPSCZUOAEU-UHFFFAOYSA-N 1 0 397.273 2.477 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c(C2CC2)cc1Cl ZINC000655956835 652015183 /nfs/dbraw/zinc/01/51/83/652015183.db2.gz GJXDFOLDHIGORR-GFCCVEGCSA-N 1 0 379.766 2.170 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C(F)(F)F ZINC000655956877 652015451 /nfs/dbraw/zinc/01/54/51/652015451.db2.gz HFMWDNVZYIQLLR-MRVPVSSYSA-N 1 0 393.671 2.183 20 0 GEADRO 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COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000576472358 652120616 /nfs/dbraw/zinc/12/06/16/652120616.db2.gz DFBCBFFGIRMDBH-UHFFFAOYSA-N 1 0 384.395 2.234 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc3nc(Cl)sc3c2)CCOCC1 ZINC000746671068 652122235 /nfs/dbraw/zinc/12/22/35/652122235.db2.gz VHYKWFPQPCYCCW-UHFFFAOYSA-N 1 0 389.930 2.339 20 0 GEADRO C[NH+](C)[C@H](CC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)c1ccccc1 ZINC000576491139 652122483 /nfs/dbraw/zinc/12/24/83/652122483.db2.gz COARFXHJIBMZIA-CQSZACIVSA-N 1 0 379.507 2.246 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)[C@H]1Sc1ccccc1 ZINC000576562790 652127540 /nfs/dbraw/zinc/12/75/40/652127540.db2.gz LACXQCSCPVALEB-DZOHQFGASA-N 1 0 384.567 2.338 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[NH2+][C@@H](C(C)C)C1)c1ccc(Br)cc1 ZINC000621148712 652132085 /nfs/dbraw/zinc/13/20/85/652132085.db2.gz VPXKTAOLXSNFSZ-DLBZAZTESA-N 1 0 396.329 2.473 20 0 GEADRO CC(C)[C@H]1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[NH2+]1 ZINC000621149908 652132349 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O=C(N[C@@H]1CCc2c1cccc2Br)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000577628701 652203310 /nfs/dbraw/zinc/20/33/10/652203310.db2.gz UNHRPUUEIHRWNF-XHDPSFHLSA-N 1 0 390.285 2.210 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)cc1Cl ZINC000657807130 652207730 /nfs/dbraw/zinc/20/77/30/652207730.db2.gz OGCPHVWZHHBSOW-INIZCTEOSA-N 1 0 379.913 2.352 20 0 GEADRO O=C(Nc1cnc2c(Br)cccn12)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000577727402 652210937 /nfs/dbraw/zinc/21/09/37/652210937.db2.gz HNQCMTIXZNKBKA-SECBINFHSA-N 1 0 375.230 2.149 20 0 GEADRO COC[C@@H](CC1CCOCC1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000657854962 652211047 /nfs/dbraw/zinc/21/10/47/652211047.db2.gz FYQLROWNZQCXOX-MRXNPFEDSA-N 1 0 390.933 2.040 20 0 GEADRO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000577734206 652211509 /nfs/dbraw/zinc/21/15/09/652211509.db2.gz VMSFWYOWTIRTKE-AWEZNQCLSA-N 1 0 396.329 2.292 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748699686 652212221 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C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000623028737 652218097 /nfs/dbraw/zinc/21/80/97/652218097.db2.gz VZEJDRFKGFMASY-ZIAGYGMSSA-N 1 0 397.269 2.113 20 0 GEADRO Cc1csc([C@](O)(CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C(F)(F)F)n1 ZINC000748843437 652220075 /nfs/dbraw/zinc/22/00/75/652220075.db2.gz DCCNIYQRRNUGIP-SWLSCSKDSA-N 1 0 379.448 2.438 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000623061306 652221478 /nfs/dbraw/zinc/22/14/78/652221478.db2.gz WWICJCRTHNFVAM-UHFFFAOYSA-N 1 0 378.274 2.096 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000623065008 652222281 /nfs/dbraw/zinc/22/22/81/652222281.db2.gz NFBDUQRBUSVFLT-QWHCGFSZSA-N 1 0 392.301 2.344 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000577872591 652224633 /nfs/dbraw/zinc/22/46/33/652224633.db2.gz SCCKURUIWBSXJI-RKDXNWHRSA-N 1 0 377.304 2.017 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000577872590 652225207 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386.290 2.194 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[C@H]1F ZINC000659109974 652344270 /nfs/dbraw/zinc/34/42/70/652344270.db2.gz SBRMOWJMBMJRLG-RKDXNWHRSA-N 1 0 383.729 2.075 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000659107918 652344399 /nfs/dbraw/zinc/34/43/99/652344399.db2.gz DTLLUZPZQCPUQY-GFCCVEGCSA-N 1 0 383.290 2.150 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1Cl ZINC000659108950 652344657 /nfs/dbraw/zinc/34/46/57/652344657.db2.gz URBCNDDWEYWKTA-VXGBXAGGSA-N 1 0 378.231 2.228 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000659113697 652344942 /nfs/dbraw/zinc/34/49/42/652344942.db2.gz QBGTWJFETIGJLW-ZETCQYMHSA-N 1 0 382.180 2.131 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000659114292 652344955 /nfs/dbraw/zinc/34/49/55/652344955.db2.gz VFTMKHOCMYXFHK-SECBINFHSA-N 1 0 384.267 2.150 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCc1ccc(I)s1 ZINC000579589951 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COCC[C@]1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000579794032 652354631 /nfs/dbraw/zinc/35/46/31/652354631.db2.gz WLWKJEIIVFUYBW-ZBFHGGJFSA-N 1 0 392.265 2.113 20 0 GEADRO COc1cc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)ccc1Br ZINC000625567426 652355768 /nfs/dbraw/zinc/35/57/68/652355768.db2.gz QZSHGVANBYCEQO-UHFFFAOYSA-N 1 0 398.345 2.461 20 0 GEADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000579822728 652356368 /nfs/dbraw/zinc/35/63/68/652356368.db2.gz NKBXMYCVPZQKBF-SWLSCSKDSA-N 1 0 382.291 2.089 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659444743 652357770 /nfs/dbraw/zinc/35/77/70/652357770.db2.gz MTGYFZGDNVQEDP-UHFFFAOYSA-N 1 0 394.273 2.020 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659446937 652357809 /nfs/dbraw/zinc/35/78/09/652357809.db2.gz KQELZXOBHXMEQK-UHFFFAOYSA-N 1 0 385.306 2.465 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC[C@H]1F ZINC000659485945 652359137 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C[NH2+]C[C@H](C)NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000659634841 652362055 /nfs/dbraw/zinc/36/20/55/652362055.db2.gz NBCKHLHVZSSEDE-LBPRGKRZSA-N 1 0 384.278 2.058 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000579973931 652362137 /nfs/dbraw/zinc/36/21/37/652362137.db2.gz QJZLVNNWNJARAY-UHFFFAOYSA-N 1 0 395.294 2.265 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)C1CC1 ZINC000579984918 652362569 /nfs/dbraw/zinc/36/25/69/652362569.db2.gz SVFOERNQXQLCEK-ZDUSSCGKSA-N 1 0 395.301 2.116 20 0 GEADRO CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)c1nc(C(F)(F)F)cs1 ZINC000659682635 652363028 /nfs/dbraw/zinc/36/30/28/652363028.db2.gz MENTYLCCKOXHGT-SECBINFHSA-N 1 0 378.420 2.117 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659680203 652363147 /nfs/dbraw/zinc/36/31/47/652363147.db2.gz BUXHFJZGSZICNL-ZDUSSCGKSA-N 1 0 396.329 2.274 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CCCC1 ZINC000659686806 652363497 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CNS(=O)(=O)c1ccc(CN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000659852307 652368050 /nfs/dbraw/zinc/36/80/50/652368050.db2.gz IRWWHYIRDXMJBM-UHFFFAOYSA-N 1 0 379.551 2.017 20 0 GEADRO Cn1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1=O ZINC000625794688 652370963 /nfs/dbraw/zinc/37/09/63/652370963.db2.gz LQHWZEUQGZRLMZ-SFHVURJKSA-N 1 0 377.282 2.157 20 0 GEADRO O=C(C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)N1CCCCC1 ZINC000625795653 652371610 /nfs/dbraw/zinc/37/16/10/652371610.db2.gz YRBRHNKRESXNGD-SFHVURJKSA-N 1 0 381.314 2.271 20 0 GEADRO O=C(C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)NCC1CCC1 ZINC000625795661 652371614 /nfs/dbraw/zinc/37/16/14/652371614.db2.gz ZABOXDVYKAVQRJ-SFHVURJKSA-N 1 0 381.314 2.175 20 0 GEADRO COc1cncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625796127 652371636 /nfs/dbraw/zinc/37/16/36/652371636.db2.gz FZEJEHRNUQLJLV-KRWDZBQOSA-N 1 0 378.270 2.257 20 0 GEADRO CC(C)OCC[C@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796912 652371773 /nfs/dbraw/zinc/37/17/73/652371773.db2.gz 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Cc1cccc2cc(S(=O)(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)sc21 ZINC000660096362 652386238 /nfs/dbraw/zinc/38/62/38/652386238.db2.gz SHLLIWNMEHNEJH-INIZCTEOSA-N 1 0 380.535 2.429 20 0 GEADRO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000660093532 652386248 /nfs/dbraw/zinc/38/62/48/652386248.db2.gz XQRUTYWNNWIEHS-LBPRGKRZSA-N 1 0 397.299 2.352 20 0 GEADRO Cc1cc(S(=O)(=O)NCCC[N@@H+](C)CCN(C)C)ccc1C(F)(F)F ZINC000580644977 652386760 /nfs/dbraw/zinc/38/67/60/652386760.db2.gz RWJIKEHYBBZNQL-UHFFFAOYSA-N 1 0 381.464 2.176 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000752519401 652388056 /nfs/dbraw/zinc/38/80/56/652388056.db2.gz QTPUNUCVAPMRSI-UHFFFAOYSA-N 1 0 376.511 2.123 20 0 GEADRO CN1CC(=O)N(CC[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1=O ZINC000660117813 652388093 /nfs/dbraw/zinc/38/80/93/652388093.db2.gz ZMMHMJLZJAZUBQ-JTQLQIEISA-N 1 0 376.404 2.235 20 0 GEADRO CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1nc2ccsc2s1 ZINC000626390797 652390909 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C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)[NH+]1CCCC1 ZINC000580821821 652393918 /nfs/dbraw/zinc/39/39/18/652393918.db2.gz DHHXRNZSKRNZGN-LLVKDONJSA-N 1 0 395.301 2.261 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1Cl ZINC000660187541 652394542 /nfs/dbraw/zinc/39/45/42/652394542.db2.gz HKSSPFWWMVYUGW-AWEZNQCLSA-N 1 0 377.869 2.056 20 0 GEADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000580889283 652395129 /nfs/dbraw/zinc/39/51/29/652395129.db2.gz WDGFIIHAXCFIND-MRXNPFEDSA-N 1 0 384.885 2.241 20 0 GEADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1nc2c(cccc2Br)s1 ZINC000626564890 652395962 /nfs/dbraw/zinc/39/59/62/652395962.db2.gz LDQFQKHNEFLRMM-VIFPVBQESA-N 1 0 385.287 2.247 20 0 GEADRO COC(=O)[C@H]1CN(c2cc(C(F)(F)F)c(Br)cn2)CC[N@H+](C)C1 ZINC000581128077 652402793 /nfs/dbraw/zinc/40/27/93/652402793.db2.gz PVQSNTDLRSGWTN-SECBINFHSA-N 1 0 396.207 2.404 20 0 GEADRO COCC[NH2+]C1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000581138907 652403424 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O=C(Nc1cc(F)cc(Br)c1F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626850774 652405859 /nfs/dbraw/zinc/40/58/59/652405859.db2.gz HFCGZAUKLSNMRK-NSHDSACASA-N 1 0 388.212 2.067 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c(F)cc1Br ZINC000626851065 652405910 /nfs/dbraw/zinc/40/59/10/652405910.db2.gz JYFJWJSOQKNVRI-CYBMUJFWSA-N 1 0 384.249 2.236 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000626860660 652406831 /nfs/dbraw/zinc/40/68/31/652406831.db2.gz IAMFMNPWXMIMLE-PSASIEDQSA-N 1 0 381.757 2.403 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000753401918 652407161 /nfs/dbraw/zinc/40/71/61/652407161.db2.gz BPXHATUSIFQFKK-SECBINFHSA-N 1 0 390.228 2.266 20 0 GEADRO C[C@@H]1CN(CC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)C[C@@H](C)O1 ZINC000660615312 652407871 /nfs/dbraw/zinc/40/78/71/652407871.db2.gz FUHGQJVVIPHMEJ-XHBSWPGZSA-N 1 0 375.282 2.320 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc3cncc(Br)c32)C[NH2+]1 ZINC000626894497 652408667 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GEADRO C[C@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)C(=O)NCc1cccs1 ZINC000753913511 652420497 /nfs/dbraw/zinc/42/04/97/652420497.db2.gz VJVGDBTXGHXACH-STQMWFEESA-N 1 0 381.523 2.475 20 0 GEADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1)c1ccc(Br)cc1 ZINC000661145711 652420547 /nfs/dbraw/zinc/42/05/47/652420547.db2.gz DAWQBFJKEIXQBD-KGLIPLIRSA-N 1 0 392.301 2.240 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](Cn2ccnn2)C1)Nc1cccc(Br)c1 ZINC000661146541 652421200 /nfs/dbraw/zinc/42/12/00/652421200.db2.gz URAHBRMVOPJTCZ-ZDUSSCGKSA-N 1 0 378.274 2.391 20 0 GEADRO Cn1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(-c2ccc(Cl)s2)n1 ZINC000627264289 652421878 /nfs/dbraw/zinc/42/18/78/652421878.db2.gz RGJCEZVXAXHKDF-VXGBXAGGSA-N 1 0 380.901 2.083 20 0 GEADRO COc1cc(OC)c(NC(=O)C[C@H]2CSCC[NH2+]2)cc1Br ZINC000581721368 652423204 /nfs/dbraw/zinc/42/32/04/652423204.db2.gz SLZSCBDYPMGFKF-VIFPVBQESA-N 1 0 375.288 2.500 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000661190641 652423437 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CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000627461225 652429213 /nfs/dbraw/zinc/42/92/13/652429213.db2.gz IUOTVBHYZLEIHT-ARFHVFGLSA-N 1 0 394.313 2.369 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000661377523 652429530 /nfs/dbraw/zinc/42/95/30/652429530.db2.gz OSNQTLZKDVEJTH-ZDUSSCGKSA-N 1 0 392.352 2.397 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C[NH2+]1 ZINC000627481557 652429536 /nfs/dbraw/zinc/42/95/36/652429536.db2.gz FBBCDLAOZANRBU-DAXOMENPSA-N 1 0 381.929 2.213 20 0 GEADRO Cc1nc(-c2ccc(CNC(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)s2)cs1 ZINC000627481840 652429586 /nfs/dbraw/zinc/42/95/86/652429586.db2.gz JCPFIRXVLULSMR-PWSUYJOCSA-N 1 0 378.523 2.053 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C[NH2+]1 ZINC000627481560 652429590 /nfs/dbraw/zinc/42/95/90/652429590.db2.gz FBBCDLAOZANRBU-WQVCFCJDSA-N 1 0 381.929 2.213 20 0 GEADRO [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000627487872 652429977 /nfs/dbraw/zinc/42/99/77/652429977.db2.gz MQLYJTIWZYBTIT-OAHLLOKOSA-N 1 0 388.295 2.139 20 0 GEADRO CCN1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)C[C@@H]1C ZINC000754225252 652430192 /nfs/dbraw/zinc/43/01/92/652430192.db2.gz QIRJRVCWBILKCX-LBPRGKRZSA-N 1 0 378.274 2.196 20 0 GEADRO CO[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000661397856 652430721 /nfs/dbraw/zinc/43/07/21/652430721.db2.gz WRGSPTWFYAJFRO-RDTXWAMCSA-N 1 0 399.329 2.269 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627574731 652433204 /nfs/dbraw/zinc/43/32/04/652433204.db2.gz OXOCRIAJDIIAIC-PWUKJLEFSA-N 1 0 393.325 2.298 20 0 GEADRO CO[C@H](C[NH3+])CC(=O)NCc1cc(Br)ccc1Br ZINC000582061181 652433768 /nfs/dbraw/zinc/43/37/68/652433768.db2.gz DFRDOULCASWJPF-JTQLQIEISA-N 1 0 380.080 2.192 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@H]1COCCO1 ZINC000661608575 652435183 /nfs/dbraw/zinc/43/51/83/652435183.db2.gz WALUSPWBMONLCU-LBPRGKRZSA-N 1 0 375.238 2.264 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000582107847 652435481 /nfs/dbraw/zinc/43/54/81/652435481.db2.gz YJDNGYOVGOQJPU-LBPRGKRZSA-N 1 0 376.258 2.485 20 0 GEADRO C[C@H]1C[NH+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@H](C)C1O ZINC000661626997 652435713 /nfs/dbraw/zinc/43/57/13/652435713.db2.gz MVINJTXDLCKHCM-KBPBESRZSA-N 1 0 399.329 2.235 20 0 GEADRO [NH3+]C1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000582122584 652436342 /nfs/dbraw/zinc/43/63/42/652436342.db2.gz SKAFEUWEKJMURR-UHFFFAOYSA-N 1 0 394.324 2.050 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)C[C@H]21 ZINC000627649439 652437320 /nfs/dbraw/zinc/43/73/20/652437320.db2.gz WUGUASODLSCJFI-VIKVFOODSA-N 1 0 381.929 2.272 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@]34CCC(=O)N3c3cc(Cl)ccc3S4)C[C@H]21 ZINC000627649506 652437330 /nfs/dbraw/zinc/43/73/30/652437330.db2.gz ZBIGDGUXORMDNA-CWRJPMGBSA-N 1 0 377.897 2.287 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)C[C@H]21 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399.333 2.173 20 0 GEADRO CC(C)CN(C(=O)C[NH2+][C@@H](C)C1CCC(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000662005002 652444584 /nfs/dbraw/zinc/44/45/84/652444584.db2.gz HRJCXGDFFUQOPM-ZGRYLRDCSA-N 1 0 376.538 2.165 20 0 GEADRO CC(C)CN(C(=O)C[NH2+][C@H](C)C1CCC(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000662005000 652444599 /nfs/dbraw/zinc/44/45/99/652444599.db2.gz HRJCXGDFFUQOPM-RDHHWEPZSA-N 1 0 376.538 2.165 20 0 GEADRO C[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@@]1(C)CO ZINC000662138544 652448679 /nfs/dbraw/zinc/44/86/79/652448679.db2.gz QZVKMKKOIDNZAZ-KDOFPFPSSA-N 1 0 399.329 2.237 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)NCCc2ccc(Br)cc2)CCCC1 ZINC000582408824 652448823 /nfs/dbraw/zinc/44/88/23/652448823.db2.gz MYNXDAPWUSBSGB-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@@]1(C)CO ZINC000662147472 652449160 /nfs/dbraw/zinc/44/91/60/652449160.db2.gz WEBUYNWKRWXCGW-WPGHFRTFSA-N 1 0 376.266 2.278 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cnn(-c2ccc(Br)cc2)c1 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COCC[NH2+]C1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000662580041 652468364 /nfs/dbraw/zinc/46/83/64/652468364.db2.gz BCZHCRNKCACXKU-UHFFFAOYSA-N 1 0 399.285 2.061 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CCCO1 ZINC000662575322 652468471 /nfs/dbraw/zinc/46/84/71/652468471.db2.gz RJXIPCBGEVXTHM-MRXNPFEDSA-N 1 0 382.302 2.239 20 0 GEADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NCc3csc(Br)c3)C2)nn1 ZINC000582954068 652468563 /nfs/dbraw/zinc/46/85/63/652468563.db2.gz PBDHYUOHMMEIMP-GFCCVEGCSA-N 1 0 399.318 2.108 20 0 GEADRO Cn1c(SCC(=O)NC[C@H]2CCCC[N@H+](C)C2)nnc1-c1cccs1 ZINC000628756897 652470018 /nfs/dbraw/zinc/47/00/18/652470018.db2.gz XEVUDKTUOZEZMC-CYBMUJFWSA-N 1 0 379.555 2.484 20 0 GEADRO [NH3+]C1(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCCC1 ZINC000662648833 652470040 /nfs/dbraw/zinc/47/00/40/652470040.db2.gz OSQGPUQZFLVKNW-LBPRGKRZSA-N 1 0 380.286 2.190 20 0 GEADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662654948 652470049 /nfs/dbraw/zinc/47/00/49/652470049.db2.gz FGVSJKGJHZRYGC-MRXNPFEDSA-N 1 0 378.314 2.487 20 0 GEADRO O=C(NCC1=CC[NH2+]CC1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000583012512 652471171 /nfs/dbraw/zinc/47/11/71/652471171.db2.gz DLSVNHJKHZUXBT-UHFFFAOYSA-N 1 0 377.246 2.071 20 0 GEADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717557 652471247 /nfs/dbraw/zinc/47/12/47/652471247.db2.gz PCNFHIGCRMFRRG-UHFFFAOYSA-N 1 0 381.270 2.289 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000662727584 652471954 /nfs/dbraw/zinc/47/19/54/652471954.db2.gz SGBMMXXTXILLEV-TZMCWYRMSA-N 1 0 382.302 2.292 20 0 GEADRO [NH3+]CCOCC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662735807 652472407 /nfs/dbraw/zinc/47/24/07/652472407.db2.gz QGMHWZIZJARTKR-UHFFFAOYSA-N 1 0 392.091 2.072 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000583132025 652473790 /nfs/dbraw/zinc/47/37/90/652473790.db2.gz DAUFDPADOSSZDR-UHFFFAOYSA-N 1 0 384.249 2.129 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1cc(Br)ccc1Br ZINC000662789776 652474704 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2.336 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000662883250 652477835 /nfs/dbraw/zinc/47/78/35/652477835.db2.gz KRNJPBGNTSOVOD-HNNXBMFYSA-N 1 0 382.302 2.173 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000662922204 652478656 /nfs/dbraw/zinc/47/86/56/652478656.db2.gz HXYZSGLMOGNIHC-HNNXBMFYSA-N 1 0 377.535 2.479 20 0 GEADRO COCC1(C(=O)Nc2cc(OC)c(OC)cc2Br)CC[NH2+]CC1 ZINC000583265184 652479229 /nfs/dbraw/zinc/47/92/29/652479229.db2.gz GPWORGPLSMUSTC-UHFFFAOYSA-N 1 0 387.274 2.421 20 0 GEADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000583262485 652479258 /nfs/dbraw/zinc/47/92/58/652479258.db2.gz GJEBSGCJCGXLFB-UHFFFAOYSA-N 1 0 385.917 2.377 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N2Cc3ccc(C)c(Br)c3C2)CC1 ZINC000662993012 652480608 /nfs/dbraw/zinc/48/06/08/652480608.db2.gz KINQTJDZEATREN-UHFFFAOYSA-N 1 0 394.313 2.058 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)CSc3cccc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000583316707 652480976 /nfs/dbraw/zinc/48/09/76/652480976.db2.gz PERCXSHNZPQJAD-LSDHHAIUSA-N 1 0 395.326 2.228 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000583312082 652480989 /nfs/dbraw/zinc/48/09/89/652480989.db2.gz XTKVXLWMLMXOFF-OAHLLOKOSA-N 1 0 397.317 2.020 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc4c(cc3Br)CCC4)C[C@@H]21 ZINC000583423519 652484448 /nfs/dbraw/zinc/48/44/48/652484448.db2.gz QBGUKTIBRNEEER-CJNGLKHVSA-N 1 0 392.297 2.039 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)c1cc(Cl)c(I)cc1OC ZINC000583440251 652485069 /nfs/dbraw/zinc/48/50/69/652485069.db2.gz UMGMHIKYLBYFKJ-ZETCQYMHSA-N 1 0 382.629 2.420 20 0 GEADRO O=C1C[C@H]([N@@H+]2CC[C@H]3COC[C@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000663220586 652485513 /nfs/dbraw/zinc/48/55/13/652485513.db2.gz ITUMJJCYIDSZTK-ZOWXZIJZSA-N 1 0 379.254 2.049 20 0 GEADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000756080890 652486860 /nfs/dbraw/zinc/48/68/60/652486860.db2.gz PAVRWZWKEJDQHP-HNNXBMFYSA-N 1 0 379.302 2.493 20 0 GEADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000756097350 652487511 /nfs/dbraw/zinc/48/75/11/652487511.db2.gz KPCFEEVHNOORQF-UKRRQHHQSA-N 1 0 379.302 2.350 20 0 GEADRO Brc1ccccc1-n1nnnc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000583500541 652487584 /nfs/dbraw/zinc/48/75/84/652487584.db2.gz FSWRXUIUEZAQMF-KBPBESRZSA-N 1 0 391.317 2.246 20 0 GEADRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)[C@@H](O)C(F)(F)F ZINC000583564765 652490029 /nfs/dbraw/zinc/49/00/29/652490029.db2.gz DMDLBYYDXIIJQD-KGYLQXTDSA-N 1 0 386.208 2.480 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000663310952 652493060 /nfs/dbraw/zinc/49/30/60/652493060.db2.gz JYUGGLXGECEVHV-JTQLQIEISA-N 1 0 393.200 2.407 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629558545 652493283 /nfs/dbraw/zinc/49/32/83/652493283.db2.gz JGZBHTMLKBJVJL-HNNXBMFYSA-N 1 0 384.318 2.132 20 0 GEADRO [NH3+]C[C@@H]1CN(CCCS(=O)(=O)c2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629562658 652493492 /nfs/dbraw/zinc/49/34/92/652493492.db2.gz OPJUSOBVJLTBQS-DOMZBBRYSA-N 1 0 382.423 2.449 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1Cl ZINC000663313261 652493740 /nfs/dbraw/zinc/49/37/40/652493740.db2.gz VULDHTLEUJZDNH-GFCCVEGCSA-N 1 0 383.695 2.141 20 0 GEADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566558 652493975 /nfs/dbraw/zinc/49/39/75/652493975.db2.gz ZQHLNNVFHCLYLB-RAIGVLPGSA-N 1 0 394.235 2.435 20 0 GEADRO C[NH2+]CCOCCN(C)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000629571876 652494027 /nfs/dbraw/zinc/49/40/27/652494027.db2.gz RWJXMLZSMZTOKM-UHFFFAOYSA-N 1 0 383.290 2.091 20 0 GEADRO CCC[NH+]1CCC(CNc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000583785365 652497021 /nfs/dbraw/zinc/49/70/21/652497021.db2.gz ZWXNCZOEONZIEL-UHFFFAOYSA-N 1 0 391.335 2.025 20 0 GEADRO Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c(Br)n1 ZINC000756424607 652498450 /nfs/dbraw/zinc/49/84/50/652498450.db2.gz MLMCLQAOUZRHAT-UHFFFAOYSA-N 1 0 398.301 2.298 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1ccc2c(n1)CCC2)c1ccc(F)cc1Cl ZINC000583857810 652500027 /nfs/dbraw/zinc/50/00/27/652500027.db2.gz VOWHIMGSMJXZMI-UHFFFAOYSA-N 1 0 383.876 2.431 20 0 GEADRO C[C@H](CCNS(=O)(=O)c1ccc(Br)cn1)[NH+]1CCCCC1 ZINC000583895308 652501790 /nfs/dbraw/zinc/50/17/90/652501790.db2.gz HIHSKINAKHXUFA-GFCCVEGCSA-N 1 0 376.320 2.387 20 0 GEADRO O[C@@H](C[NH2+]CCCOC1CCOCC1)COc1ccc(Br)cc1 ZINC000583930182 652503190 /nfs/dbraw/zinc/50/31/90/652503190.db2.gz TWXHLQIGIBRZKB-HNNXBMFYSA-N 1 0 388.302 2.364 20 0 GEADRO C[NH+](C)Cc1ccc(N2CCN(c3cc(Br)cnn3)CC2)nc1 ZINC000663564233 652504062 /nfs/dbraw/zinc/50/40/62/652504062.db2.gz MWBIQUCPMDODNR-UHFFFAOYSA-N 1 0 377.290 2.022 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000756933906 652509213 /nfs/dbraw/zinc/50/92/13/652509213.db2.gz YLCPDHBGMREWCW-CQSZACIVSA-N 1 0 385.917 2.046 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000584103193 652509223 /nfs/dbraw/zinc/50/92/23/652509223.db2.gz IUAOLCHXCMRFHH-HOCLYGCPSA-N 1 0 382.302 2.012 20 0 GEADRO C[NH+](C)[C@H]1CN(C(=O)NCC(C)(C)c2ccc(Br)cc2)C[C@@H]1O ZINC000663714228 652510127 /nfs/dbraw/zinc/51/01/27/652510127.db2.gz PZVKGFLRKMQLDV-GJZGRUSLSA-N 1 0 384.318 2.043 20 0 GEADRO C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCC[NH+](C)C ZINC000584248029 652514023 /nfs/dbraw/zinc/51/40/23/652514023.db2.gz XVZLZMWETFYWKM-LLVKDONJSA-N 1 0 380.901 2.260 20 0 GEADRO CCOc1cc(CN(CCO)C2CC[NH+](C)CC2)cc(Br)c1O ZINC000584336785 652517051 /nfs/dbraw/zinc/51/70/51/652517051.db2.gz WFYHQBKRTJCXGN-UHFFFAOYSA-N 1 0 387.318 2.442 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000584340914 652517435 /nfs/dbraw/zinc/51/74/35/652517435.db2.gz XVYSKNPUZSPPTJ-KBPBESRZSA-N 1 0 387.311 2.250 20 0 GEADRO Cc1c(Br)csc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000630895722 652517539 /nfs/dbraw/zinc/51/75/39/652517539.db2.gz DMKSNDNETUXRHZ-LLVKDONJSA-N 1 0 388.331 2.136 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000584350442 652517772 /nfs/dbraw/zinc/51/77/72/652517772.db2.gz KCJLVLQAKBXCII-OAHLLOKOSA-N 1 0 392.253 2.355 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000584351404 652518001 /nfs/dbraw/zinc/51/80/01/652518001.db2.gz GVKUOHWZWFTTOT-AWEZNQCLSA-N 1 0 375.332 2.297 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)ccc1Cl ZINC000631039379 652518590 /nfs/dbraw/zinc/51/85/90/652518590.db2.gz HVELLFOKKRYEID-UHFFFAOYSA-N 1 0 380.901 2.272 20 0 GEADRO C[NH+](C)CCN1CCN(c2ncc(Br)c3ccsc32)CC1=O ZINC000664060015 652519099 /nfs/dbraw/zinc/51/90/99/652519099.db2.gz DLWSRMGNGVVHMI-UHFFFAOYSA-N 1 0 383.315 2.269 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccncc1Br)COc1ccc2c(c1)OCO2 ZINC000631051540 652519126 /nfs/dbraw/zinc/51/91/26/652519126.db2.gz AERRXCTYPPGOCU-LBPRGKRZSA-N 1 0 381.226 2.102 20 0 GEADRO COc1cc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(F)cc1Br ZINC000631105976 652520230 /nfs/dbraw/zinc/52/02/30/652520230.db2.gz XXGOSEMQWSLTDB-AWEZNQCLSA-N 1 0 389.265 2.357 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CCO1 ZINC000664199003 652523017 /nfs/dbraw/zinc/52/30/17/652523017.db2.gz QUUWXYDIOSVINE-LLVKDONJSA-N 1 0 380.436 2.414 20 0 GEADRO COc1nc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ncc1Br ZINC000664240567 652523608 /nfs/dbraw/zinc/52/36/08/652523608.db2.gz ZGEAFAZARKRUBB-CQSZACIVSA-N 1 0 393.285 2.426 20 0 GEADRO O=C(c1scnc1Br)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000757925458 652525812 /nfs/dbraw/zinc/52/58/12/652525812.db2.gz IUBISAMGOJEIMA-UHFFFAOYSA-N 1 0 388.331 2.480 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000664292829 652526091 /nfs/dbraw/zinc/52/60/91/652526091.db2.gz RYQKVQLKIZWHJV-LLVKDONJSA-N 1 0 380.290 2.342 20 0 GEADRO CS(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000584716655 652526885 /nfs/dbraw/zinc/52/68/85/652526885.db2.gz KQLAGFDISNWDJL-INIZCTEOSA-N 1 0 383.897 2.411 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000631567336 652527764 /nfs/dbraw/zinc/52/77/64/652527764.db2.gz 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O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C(F)F)o1 ZINC000632118154 652551445 /nfs/dbraw/zinc/55/14/45/652551445.db2.gz IDKUYTDFJQVHPE-STQMWFEESA-N 1 0 378.441 2.263 20 0 GEADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2c[nH]nc2C(F)(F)F)cc1 ZINC000632262602 652553356 /nfs/dbraw/zinc/55/33/56/652553356.db2.gz YNFMJRCSFVKYKW-UHFFFAOYSA-N 1 0 376.404 2.011 20 0 GEADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1ncsc1Br ZINC000632301788 652555363 /nfs/dbraw/zinc/55/53/63/652555363.db2.gz NDQCTNJGQWHOKZ-UHFFFAOYSA-N 1 0 382.349 2.153 20 0 GEADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ncsc1Br ZINC000632334895 652557752 /nfs/dbraw/zinc/55/77/52/652557752.db2.gz STUCPWIDFBWLSL-JTQLQIEISA-N 1 0 382.349 2.199 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c(Br)c1 ZINC000632368288 652559762 /nfs/dbraw/zinc/55/97/62/652559762.db2.gz FKJWSLDJVGBSTB-GWCFXTLKSA-N 1 0 377.304 2.171 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c(Br)c1 ZINC000589230751 652562471 /nfs/dbraw/zinc/56/24/71/652562471.db2.gz IFFVXAOBFYNPDG-UHFFFAOYSA-N 1 0 398.301 2.388 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccncc1I ZINC000589334808 652566079 /nfs/dbraw/zinc/56/60/79/652566079.db2.gz MUCVSRHMVLBTSC-NSHDSACASA-N 1 0 390.269 2.350 20 0 GEADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000666088852 652566426 /nfs/dbraw/zinc/56/64/26/652566426.db2.gz VYQRARSMBZPUEM-AEFFLSMTSA-N 1 0 385.961 2.143 20 0 GEADRO Cc1cc(C)c(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)s1 ZINC000632481036 652566722 /nfs/dbraw/zinc/56/67/22/652566722.db2.gz CMEYEJBPXIHWPF-UHFFFAOYSA-N 1 0 381.523 2.457 20 0 GEADRO NS(=O)(=O)c1ccc(CNCC[NH+]2CCCCCC2)cc1Br ZINC000666220230 652569437 /nfs/dbraw/zinc/56/94/37/652569437.db2.gz QCZYNJIHIQQQFY-UHFFFAOYSA-N 1 0 390.347 2.062 20 0 GEADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000759370294 652570699 /nfs/dbraw/zinc/57/06/99/652570699.db2.gz SMJCABVOEFSLBB-QMMMGPOBSA-N 1 0 391.697 2.201 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)NCC[NH+]2CCC(OC)CC2)c1 ZINC000589706628 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COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000590752045 652580403 /nfs/dbraw/zinc/58/04/03/652580403.db2.gz MCDQPQBBYKGXPS-KGLIPLIRSA-N 1 0 390.299 2.154 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCOc3c(Br)cccc32)cn1 ZINC000632881011 652581621 /nfs/dbraw/zinc/58/16/21/652581621.db2.gz OZGZHCFMIHUPSE-OAHLLOKOSA-N 1 0 393.285 2.461 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000633043038 652583428 /nfs/dbraw/zinc/58/34/28/652583428.db2.gz XYAPAWBFAMQWCK-CBAPKCEASA-N 1 0 394.191 2.355 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC2(C[NH3+])CCCCC2)c(Br)c1 ZINC000633048265 652583616 /nfs/dbraw/zinc/58/36/16/652583616.db2.gz LMXKNOKPTHVVMQ-UHFFFAOYSA-N 1 0 384.274 2.174 20 0 GEADRO [NH3+]CC1(NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCCCC1 ZINC000633048154 652583626 /nfs/dbraw/zinc/58/36/26/652583626.db2.gz IDKVLHRLLCLJMK-UHFFFAOYSA-N 1 0 395.301 2.438 20 0 GEADRO COc1cc(NC(=O)C(=O)NC2(C[NH3+])CCCCC2)ccc1Br ZINC000633049049 652584084 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GEADRO O=C(Cc1csc(CCC(F)(F)F)n1)NC[C@H]1CCCC[N@H+]1CCO ZINC000633255788 652589918 /nfs/dbraw/zinc/58/99/18/652589918.db2.gz CFODMAMBAIZYSR-CYBMUJFWSA-N 1 0 379.448 2.144 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cnc2c(Br)cccn12 ZINC000667099133 652591921 /nfs/dbraw/zinc/59/19/21/652591921.db2.gz NSTSHZYWFZQEDV-UHFFFAOYSA-N 1 0 397.321 2.102 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000633365202 652594350 /nfs/dbraw/zinc/59/43/50/652594350.db2.gz NFBOKZFXUKDBCO-ZDUSSCGKSA-N 1 0 384.322 2.389 20 0 GEADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CC2CS(=O)(=O)C2)CC1 ZINC000633359288 652594409 /nfs/dbraw/zinc/59/44/09/652594409.db2.gz ZMMMVXCATVGPOF-UHFFFAOYSA-N 1 0 386.901 2.186 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667243704 652598279 /nfs/dbraw/zinc/59/82/79/652598279.db2.gz OVXRCUURAIGWDL-UHFFFAOYSA-N 1 0 392.656 2.296 20 0 GEADRO COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000592514208 652598315 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CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000670832098 652765975 /nfs/dbraw/zinc/76/59/75/652765975.db2.gz ABHLDOXCJDWDGP-HNNXBMFYSA-N 1 0 382.302 2.056 20 0 GEADRO C[NH+](C)CCOCCNC(=O)Nc1ccc(I)cc1F ZINC000597024692 652771972 /nfs/dbraw/zinc/77/19/72/652771972.db2.gz NWZLCANIEGUWIM-UHFFFAOYSA-N 1 0 395.216 2.130 20 0 GEADRO COC(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(C)s2)cc1F ZINC000597063053 652773579 /nfs/dbraw/zinc/77/35/79/652773579.db2.gz BRDJJXNMEWMSTJ-UHFFFAOYSA-N 1 0 386.470 2.050 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000670983907 652773687 /nfs/dbraw/zinc/77/36/87/652773687.db2.gz QXUIIHOIHDIGPM-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000636008884 652773923 /nfs/dbraw/zinc/77/39/23/652773923.db2.gz XGOFJJDTKZNGQL-KBPBESRZSA-N 1 0 387.293 2.197 20 0 GEADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986495 652774048 /nfs/dbraw/zinc/77/40/48/652774048.db2.gz UWZYWXKVYXCEIX-IAGOWNOFSA-N 1 0 396.329 2.162 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)c(F)c1 ZINC000636024693 652774924 /nfs/dbraw/zinc/77/49/24/652774924.db2.gz YRRCFFCJSPPVIJ-WDEREUQCSA-N 1 0 382.379 2.049 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000671105057 652778720 /nfs/dbraw/zinc/77/87/20/652778720.db2.gz NQXRTIABWYPEDS-MAZHCROVSA-N 1 0 394.313 2.369 20 0 GEADRO Cn1c(SCC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)nnc1-c1cccs1 ZINC000636093626 652780692 /nfs/dbraw/zinc/78/06/92/652780692.db2.gz XUDYTKAADBLPIV-QWHCGFSZSA-N 1 0 379.555 2.481 20 0 GEADRO Cc1sc(Br)nc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000764060190 652783637 /nfs/dbraw/zinc/78/36/37/652783637.db2.gz XGIMAQUFUWCMKA-NXEZZACHSA-N 1 0 376.320 2.443 20 0 GEADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=[NH2+])NOCc1cnc(Cl)s1 ZINC000764212664 652790724 /nfs/dbraw/zinc/79/07/24/652790724.db2.gz QKQNXEZUMLRFDC-SNVBAGLBSA-N 1 0 376.866 2.431 20 0 GEADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000636255447 652790761 /nfs/dbraw/zinc/79/07/61/652790761.db2.gz IBINBRPUGCZMBG-ACJLOTCBSA-N 1 0 381.314 2.127 20 0 GEADRO C[C@H](CCNC(=O)c1[nH]nc2ccc(I)cc21)[NH+](C)C ZINC000597994038 652795035 /nfs/dbraw/zinc/79/50/35/652795035.db2.gz XLGPTOBQLLTSKC-SECBINFHSA-N 1 0 386.237 2.238 20 0 GEADRO COc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)c(I)c1 ZINC000597990950 652795268 /nfs/dbraw/zinc/79/52/68/652795268.db2.gz BHZDKEBQKQRWER-JTQLQIEISA-N 1 0 376.238 2.370 20 0 GEADRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccncc1Br ZINC000636309984 652796668 /nfs/dbraw/zinc/79/66/68/652796668.db2.gz LMLQGPQCGSUYCL-UHFFFAOYSA-N 1 0 382.302 2.495 20 0 GEADRO NS(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000636400898 652802155 /nfs/dbraw/zinc/80/21/55/652802155.db2.gz CENLYNKCAYTWMC-CQSZACIVSA-N 1 0 379.507 2.246 20 0 GEADRO CC(=O)NCCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636574319 652808988 /nfs/dbraw/zinc/80/89/88/652808988.db2.gz YWGBYRRICXQXSG-OAHLLOKOSA-N 1 0 375.300 2.422 20 0 GEADRO C[C@](CO)([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000671708261 652810341 /nfs/dbraw/zinc/81/03/41/652810341.db2.gz JVPJONSMQPKGJB-IUODEOHRSA-N 1 0 376.316 2.071 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(I)c[nH]1 ZINC000598559485 652821705 /nfs/dbraw/zinc/82/17/05/652821705.db2.gz ICRBGAXMTQGMHU-LBPRGKRZSA-N 1 0 387.265 2.471 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000636767385 652821852 /nfs/dbraw/zinc/82/18/52/652821852.db2.gz HDUVCMMGUCNQEV-AWEZNQCLSA-N 1 0 393.329 2.256 20 0 GEADRO C[C@@H](c1ccsc1)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000765080047 652822433 /nfs/dbraw/zinc/82/24/33/652822433.db2.gz QDPDXHXNKNJPLJ-HNNXBMFYSA-N 1 0 379.551 2.317 20 0 GEADRO COC[C@@H](CCO)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636832145 652825248 /nfs/dbraw/zinc/82/52/48/652825248.db2.gz IIWCPEPKJYZDTC-DOMZBBRYSA-N 1 0 378.300 2.293 20 0 GEADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1n[nH]c3ccc(I)cc31)C2 ZINC000598667163 652827192 /nfs/dbraw/zinc/82/71/92/652827192.db2.gz DOXKQMHQVFABHN-RFAUZJTJSA-N 1 0 396.232 2.121 20 0 GEADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)COc1ccc(I)cc1)C2 ZINC000598667781 652827202 /nfs/dbraw/zinc/82/72/02/652827202.db2.gz KIFXOEGNPQNZDM-XHDPSFHLSA-N 1 0 386.233 2.010 20 0 GEADRO COc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c(I)c1 ZINC000598668668 652827597 /nfs/dbraw/zinc/82/75/97/652827597.db2.gz XJGMMFHOADCUQU-ZUZCIYMTSA-N 1 0 386.233 2.253 20 0 GEADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)NC[C@@H]1CCCC[NH2+]1 ZINC000636874867 652827806 /nfs/dbraw/zinc/82/78/06/652827806.db2.gz UVRDMYYJWSMTHZ-NWDGAFQWSA-N 1 0 376.284 2.174 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(CC(=O)Nc1ccccc1I)C2 ZINC000598683972 652828036 /nfs/dbraw/zinc/82/80/36/652828036.db2.gz UYDHHEWTAPFJKH-NHYWBVRUSA-N 1 0 385.249 2.043 20 0 GEADRO [NH3+][C@]12CCC[C@@H]1CN(CC(=O)Nc1ccccc1I)C2 ZINC000598683967 652828199 /nfs/dbraw/zinc/82/81/99/652828199.db2.gz UYDHHEWTAPFJKH-ABAIWWIYSA-N 1 0 385.249 2.043 20 0 GEADRO Cc1ccc(CNC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1Br ZINC000636908059 652829296 /nfs/dbraw/zinc/82/92/96/652829296.db2.gz MCQNMHFMWNSLPE-ZDUSSCGKSA-N 1 0 394.313 2.140 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598724122 652831492 /nfs/dbraw/zinc/83/14/92/652831492.db2.gz ILXALFOHPXKLDK-PIGZYNQJSA-N 1 0 380.491 2.190 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)N(CCO)Cc1ccc(Br)s1 ZINC000636988071 652834004 /nfs/dbraw/zinc/83/40/04/652834004.db2.gz GBFNMDIVKAVZHW-NSHDSACASA-N 1 0 376.320 2.157 20 0 GEADRO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000765268494 652834417 /nfs/dbraw/zinc/83/44/17/652834417.db2.gz ITHAWZFNLYBLQX-IHRRRGAJSA-N 1 0 391.603 2.137 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)s1 ZINC000672421580 652837736 /nfs/dbraw/zinc/83/77/36/652837736.db2.gz PBHKIVDNACIGID-UMVBOHGHSA-N 1 0 385.555 2.193 20 0 GEADRO NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000599070372 652847128 /nfs/dbraw/zinc/84/71/28/652847128.db2.gz MINWXMVPBPIVEZ-IRUJWGPZSA-N 1 0 386.233 2.358 20 0 GEADRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(F)c(I)c1 ZINC000599085485 652848108 /nfs/dbraw/zinc/84/81/08/652848108.db2.gz SBZPUMLRYDPDOM-ZYHUDNBSSA-N 1 0 378.229 2.148 20 0 GEADRO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000599089424 652848686 /nfs/dbraw/zinc/84/86/86/652848686.db2.gz TVSQAWLBNURGRW-SNVBAGLBSA-N 1 0 375.238 2.308 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000599189897 652853005 /nfs/dbraw/zinc/85/30/05/652853005.db2.gz VPHNAXHZDGINEJ-MRXNPFEDSA-N 1 0 398.345 2.312 20 0 GEADRO C[C@@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1nc(C(F)(F)F)cs1 ZINC000673046275 652853975 /nfs/dbraw/zinc/85/39/75/652853975.db2.gz BGQAPMOXDQDEBH-SNVBAGLBSA-N 1 0 380.436 2.321 20 0 GEADRO COC(=O)c1cc(F)cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1F ZINC000599207191 652854222 /nfs/dbraw/zinc/85/42/22/652854222.db2.gz NXKWXWBTWRUQJB-UHFFFAOYSA-N 1 0 378.441 2.149 20 0 GEADRO CN(Cc1ccc(Cl)cc1Cl)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637376607 652854752 /nfs/dbraw/zinc/85/47/52/652854752.db2.gz RHHYWNJGFWSBGA-HNNXBMFYSA-N 1 0 387.311 2.475 20 0 GEADRO CCCN(C(=O)NCc1cc(Br)cnc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000637404125 652855551 /nfs/dbraw/zinc/85/55/51/652855551.db2.gz AJNUUMVKLWDWOC-CQSZACIVSA-N 1 0 385.306 2.478 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CCSC1 ZINC000765854753 652855925 /nfs/dbraw/zinc/85/59/25/652855925.db2.gz XGODJSOGPSYBGX-BZNIZROVSA-N 1 0 381.489 2.088 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000637407098 652857086 /nfs/dbraw/zinc/85/70/86/652857086.db2.gz RCWBZOWDGLFMML-FZMZJTMJSA-N 1 0 385.306 2.334 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000637407312 652857683 /nfs/dbraw/zinc/85/76/83/652857683.db2.gz XJPLNTXTPQHDDN-SMDDNHRTSA-N 1 0 383.290 2.088 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)N1CCn2ncnc2C1)c1ccc(Cl)c(Cl)c1 ZINC000637473301 652862364 /nfs/dbraw/zinc/86/23/64/652862364.db2.gz KMSMUABGVYCGEQ-AWEZNQCLSA-N 1 0 383.283 2.413 20 0 GEADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673511988 652866212 /nfs/dbraw/zinc/86/62/12/652866212.db2.gz CMDKRMYIWSVDDF-KGLIPLIRSA-N 1 0 378.270 2.212 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000673531027 652867962 /nfs/dbraw/zinc/86/79/62/652867962.db2.gz PJRMZEJYZDMJHV-CQSZACIVSA-N 1 0 383.279 2.366 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000766145283 652868852 /nfs/dbraw/zinc/86/88/52/652868852.db2.gz VZMGOHZCENXLMH-LBPRGKRZSA-N 1 0 380.293 2.346 20 0 GEADRO O=C(NCc1n[nH]cc1Br)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000599425253 652870453 /nfs/dbraw/zinc/87/04/53/652870453.db2.gz QCZMBGBLJYCSGR-CYBMUJFWSA-N 1 0 382.262 2.402 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000673581258 652871748 /nfs/dbraw/zinc/87/17/48/652871748.db2.gz OKHVHDUNSGNCEU-UHFFFAOYSA-N 1 0 383.892 2.122 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000637822174 652874840 /nfs/dbraw/zinc/87/48/40/652874840.db2.gz GYEMVMQGLBUFJM-JKSUJKDBSA-N 1 0 394.313 2.151 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)[N@@H+]1CCCC[C@@H]1C ZINC000766308898 652875126 /nfs/dbraw/zinc/87/51/26/652875126.db2.gz HMFUPUDOXCVFDZ-RYUDHWBXSA-N 1 0 383.290 2.162 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000637841098 652875218 /nfs/dbraw/zinc/87/52/18/652875218.db2.gz SHIHZKNPMJKNKI-ZENOOKHLSA-N 1 0 394.313 2.149 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000637846872 652875265 /nfs/dbraw/zinc/87/52/65/652875265.db2.gz ZARCDYGAGSKARF-DAXOMENPSA-N 1 0 394.313 2.136 20 0 GEADRO Cc1cc(C[NH3+])oc1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000637883089 652876511 /nfs/dbraw/zinc/87/65/11/652876511.db2.gz DEOQHEWMZBCLOU-UHFFFAOYSA-N 1 0 380.242 2.486 20 0 GEADRO CC(C)(C[NH+]1CCN(c2ccc(Br)cn2)CC1)N1CCOCC1 ZINC000637900463 652877103 /nfs/dbraw/zinc/87/71/03/652877103.db2.gz ABWOSDVVFXCKCX-UHFFFAOYSA-N 1 0 383.334 2.077 20 0 GEADRO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000599541663 652877191 /nfs/dbraw/zinc/87/71/91/652877191.db2.gz LOWNBCHZZCXUTK-QMMMGPOBSA-N 1 0 379.201 2.057 20 0 GEADRO [NH3+]CCCOCCNC(=O)Nc1ccc(I)cc1Cl ZINC000599600406 652879184 /nfs/dbraw/zinc/87/91/84/652879184.db2.gz SCHFMNBQRQWGMF-UHFFFAOYSA-N 1 0 397.644 2.432 20 0 GEADRO CCOC(=O)c1c(NC(=O)NCCOCC[NH2+]C)sc2c1CCCS2 ZINC000599602811 652879561 /nfs/dbraw/zinc/87/95/61/652879561.db2.gz QIYAQZULZBKKOA-UHFFFAOYSA-N 1 0 387.527 2.321 20 0 GEADRO C[NH2+]CCOCCNC(=O)Nc1ccc(Cl)cc1I ZINC000599601744 652879667 /nfs/dbraw/zinc/87/96/67/652879667.db2.gz YAZWNGIURFNNNV-UHFFFAOYSA-N 1 0 397.644 2.302 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673848 652882958 /nfs/dbraw/zinc/88/29/58/652882958.db2.gz UJCPZCKRFQWJDM-GYSYKLTISA-N 1 0 388.249 2.321 20 0 GEADRO COC(=O)[C@@H](NC(=O)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)C(C)C ZINC000599680197 652883187 /nfs/dbraw/zinc/88/31/87/652883187.db2.gz KXIZWTDGXVNJQB-HOCLYGCPSA-N 1 0 391.295 2.320 20 0 GEADRO [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000638073149 652883707 /nfs/dbraw/zinc/88/37/07/652883707.db2.gz LUXKOVFNXACSRW-GXTWGEPZSA-N 1 0 393.285 2.069 20 0 GEADRO O=C(c1ccc(OC(F)(F)F)c(Cl)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638236298 652884176 /nfs/dbraw/zinc/88/41/76/652884176.db2.gz BCYXSNNQSIVQQQ-LBPRGKRZSA-N 1 0 377.794 2.358 20 0 GEADRO C[NH2+]CCCN(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638346256 652886457 /nfs/dbraw/zinc/88/64/57/652886457.db2.gz HBGVQBPPUSTJMX-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO O[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)COc1ccccc1 ZINC000638339508 652886477 /nfs/dbraw/zinc/88/64/77/652886477.db2.gz CAEDNEXRHQFSDS-CQSZACIVSA-N 1 0 377.242 2.021 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)o1 ZINC000638406536 652888657 /nfs/dbraw/zinc/88/86/57/652888657.db2.gz WSXGECHUAFMSBO-UHFFFAOYSA-N 1 0 384.885 2.418 20 0 GEADRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cnn3cc(Br)cnc23)c1 ZINC000638418836 652889296 /nfs/dbraw/zinc/88/92/96/652889296.db2.gz LRZNWFRFRFFWRA-HNNXBMFYSA-N 1 0 391.269 2.330 20 0 GEADRO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)s1)c1ccc2c(c1)OCCO2 ZINC000638445440 652889829 /nfs/dbraw/zinc/88/98/29/652889829.db2.gz GLDQGOHGUXSEGU-UHFFFAOYSA-N 1 0 382.507 2.234 20 0 GEADRO FC(F)(F)CN1CC[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638458887 652890373 /nfs/dbraw/zinc/89/03/73/652890373.db2.gz DHKVXDAMGGJTRY-LLVKDONJSA-N 1 0 378.196 2.218 20 0 GEADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC/C=C/c1ccc(Br)cc1 ZINC000638463370 652890399 /nfs/dbraw/zinc/89/03/99/652890399.db2.gz UCACOZJARSYEJL-JHBSALDVSA-N 1 0 394.313 2.227 20 0 GEADRO Brc1ccc2nc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)cn2c1 ZINC000674231590 652891252 /nfs/dbraw/zinc/89/12/52/652891252.db2.gz HWYXXZZFRBOTMT-AWEZNQCLSA-N 1 0 379.302 2.251 20 0 GEADRO C[C@H](NC(=O)c1cn(CCC[NH3+])nn1)c1cc(F)c(Br)cc1F ZINC000638494210 652891336 /nfs/dbraw/zinc/89/13/36/652891336.db2.gz BTAUORDTRUVONI-QMMMGPOBSA-N 1 0 388.216 2.159 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000638499924 652891351 /nfs/dbraw/zinc/89/13/51/652891351.db2.gz LWIOSUVDPGGXLO-DOMZBBRYSA-N 1 0 392.297 2.203 20 0 GEADRO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000638503387 652891809 /nfs/dbraw/zinc/89/18/09/652891809.db2.gz QISSVPWEWYGCSR-CABCVRRESA-N 1 0 379.913 2.256 20 0 GEADRO C[C@@]([NH3+])(C(=O)NC[C@@H]1CCCN1CC(F)F)c1ccc(Br)cc1 ZINC000638515501 652891834 /nfs/dbraw/zinc/89/18/34/652891834.db2.gz CEDAAOUTDQCVFW-BBRMVZONSA-N 1 0 390.272 2.469 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000638505790 652892032 /nfs/dbraw/zinc/89/20/32/652892032.db2.gz XGQZKCTTZODCNJ-SWLSCSKDSA-N 1 0 392.297 2.203 20 0 GEADRO CCN(CC[NH3+])C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000638519936 652892340 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[NH3+]C[C@@H]1CN(C(=O)COc2ccc(Br)cn2)CC[C@H]1C(F)(F)F ZINC000638561467 652894973 /nfs/dbraw/zinc/89/49/73/652894973.db2.gz GYKQEPHUHBNAOX-MWLCHTKSSA-N 1 0 396.207 2.209 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000638569694 652895292 /nfs/dbraw/zinc/89/52/92/652895292.db2.gz LRDZITMPJSMVJC-ARFHVFGLSA-N 1 0 394.313 2.310 20 0 GEADRO C[NH2+]CCOCCNC(=O)c1cc(Br)sc1Br ZINC000638579206 652895832 /nfs/dbraw/zinc/89/58/32/652895832.db2.gz MYWZHWPWPWZEMD-UHFFFAOYSA-N 1 0 386.109 2.239 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638575395 652895937 /nfs/dbraw/zinc/89/59/37/652895937.db2.gz HRPXCTVUDVKBRQ-XHSDSOJGSA-N 1 0 394.313 2.197 20 0 GEADRO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638595328 652896935 /nfs/dbraw/zinc/89/69/35/652896935.db2.gz HLHISULMOOYIPE-BBRMVZONSA-N 1 0 394.313 2.450 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638595051 652896980 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O=C(COc1ccccc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638793312 652906809 /nfs/dbraw/zinc/90/68/09/652906809.db2.gz ZOABMUOCMMXBLH-OAHLLOKOSA-N 1 0 397.313 2.445 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638831128 652907980 /nfs/dbraw/zinc/90/79/80/652907980.db2.gz INCJKNDASPRQEV-DCJIHFBESA-N 1 0 387.281 2.317 20 0 GEADRO [NH3+]CCc1nc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cs1 ZINC000638831366 652908102 /nfs/dbraw/zinc/90/81/02/652908102.db2.gz JUAKSPRASMXNRM-WKPIXPDZSA-N 1 0 378.295 2.475 20 0 GEADRO COc1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c(Br)c1 ZINC000638853328 652909417 /nfs/dbraw/zinc/90/94/17/652909417.db2.gz KDYIMOCBNRPGGP-UHFFFAOYSA-N 1 0 379.258 2.372 20 0 GEADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@H]1CCCC[C@H]1O ZINC000638916799 652912623 /nfs/dbraw/zinc/91/26/23/652912623.db2.gz MLCKQECUJQAZJU-TZMCWYRMSA-N 1 0 391.331 2.079 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638940816 652914285 /nfs/dbraw/zinc/91/42/85/652914285.db2.gz SGFZNTNZUTUATL-DTORHVGOSA-N 1 0 375.064 2.183 20 0 GEADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000675102186 652916823 /nfs/dbraw/zinc/91/68/23/652916823.db2.gz QMVJVNAFAJJMHG-HNNXBMFYSA-N 1 0 380.901 2.475 20 0 GEADRO CN1CC[C@@H]([NH2+]Cc2cc(C(N)=O)no2)C[C@@H]1c1ccc(Br)cc1 ZINC000639042612 652917208 /nfs/dbraw/zinc/91/72/08/652917208.db2.gz IAFCZQILXGCLDT-CZUORRHYSA-N 1 0 393.285 2.461 20 0 GEADRO COc1nsc(CNC(C)(C)CC[NH+]2CCN(C)CC2)c1Br ZINC000639057003 652918145 /nfs/dbraw/zinc/91/81/45/652918145.db2.gz KREIJLBBGISKCX-UHFFFAOYSA-N 1 0 391.379 2.420 20 0 GEADRO Brc1cnc2c(C[NH2+]CCc3cn4c(n3)SCC4)cnn2c1 ZINC000639055519 652918222 /nfs/dbraw/zinc/91/82/22/652918222.db2.gz SYEXUFCWWNRTPA-UHFFFAOYSA-N 1 0 379.287 2.126 20 0 GEADRO CO[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000639110572 652919569 /nfs/dbraw/zinc/91/95/69/652919569.db2.gz PKZCTULAMGMXBH-TZMCWYRMSA-N 1 0 381.416 2.250 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cnn2cc(Br)cnc12 ZINC000639112654 652919598 /nfs/dbraw/zinc/91/95/98/652919598.db2.gz GTGMFXIBCABGOY-CYBMUJFWSA-N 1 0 394.317 2.177 20 0 GEADRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639121768 652920112 /nfs/dbraw/zinc/92/01/12/652920112.db2.gz AALYFLIJCGRJEE-OAHLLOKOSA-N 1 0 391.331 2.224 20 0 GEADRO COc1ncc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)s1 ZINC000639132231 652921454 /nfs/dbraw/zinc/92/14/54/652921454.db2.gz IWDCMRHGQWRUNX-UHFFFAOYSA-N 1 0 375.903 2.263 20 0 GEADRO CNS(=O)(=O)CCC[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000600633731 652923550 /nfs/dbraw/zinc/92/35/50/652923550.db2.gz FJOGNRDYELKHLF-MRXNPFEDSA-N 1 0 385.917 2.027 20 0 GEADRO O=S1(=O)CCC(O)(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000767415712 652923849 /nfs/dbraw/zinc/92/38/49/652923849.db2.gz OVUOWHOGUPBYBQ-HZPDHXFCSA-N 1 0 387.567 2.356 20 0 GEADRO CCCC[N@H+](CCCO)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639176246 652925854 /nfs/dbraw/zinc/92/58/54/652925854.db2.gz ZUOYZEJMVWAFSG-UHFFFAOYSA-N 1 0 379.320 2.081 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@@]1(OC)CCOC1 ZINC000639237638 652927423 /nfs/dbraw/zinc/92/74/23/652927423.db2.gz KNKRAFKSFNFJDH-GUYCJALGSA-N 1 0 388.302 2.004 20 0 GEADRO C[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000639251636 652928461 /nfs/dbraw/zinc/92/84/61/652928461.db2.gz CDNXRLNIXPVXMH-UHFFFAOYSA-N 1 0 399.866 2.446 20 0 GEADRO CN1CC[C@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)C[C@H]1c1ccc(Br)cc1 ZINC000639278198 652929892 /nfs/dbraw/zinc/92/98/92/652929892.db2.gz ANIICTUCAPMOQT-JYJNAYRXSA-N 1 0 394.313 2.321 20 0 GEADRO CC(C)(C[NH2+]Cc1cnn2cc(Br)cnc12)[C@@]1(O)CCCOC1 ZINC000639330884 652932522 /nfs/dbraw/zinc/93/25/22/652932522.db2.gz YFPZFIVFGSORTR-MRXNPFEDSA-N 1 0 383.290 2.149 20 0 GEADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000639333941 652933044 /nfs/dbraw/zinc/93/30/44/652933044.db2.gz DAPYGMVYWMORNV-GFCCVEGCSA-N 1 0 380.290 2.228 20 0 GEADRO C[NH2+]C1(CNC(=O)c2[nH]nc3ccc(I)cc32)CCC1 ZINC000600825890 652934987 /nfs/dbraw/zinc/93/49/87/652934987.db2.gz VKXSBZOXALQCEZ-UHFFFAOYSA-N 1 0 384.221 2.039 20 0 GEADRO CNS(=O)(=O)CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000639379609 652935726 /nfs/dbraw/zinc/93/57/26/652935726.db2.gz RJCIVRALIHJJMD-UHFFFAOYSA-N 1 0 379.295 2.363 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000675739965 652939320 /nfs/dbraw/zinc/93/93/20/652939320.db2.gz AZQAQTQRQSFVLM-AWEZNQCLSA-N 1 0 389.315 2.286 20 0 GEADRO Cc1ncc(CNC(=O)CC[NH+]2CCN(c3nc(C)c(C)s3)CC2)s1 ZINC000639547288 652941121 /nfs/dbraw/zinc/94/11/21/652941121.db2.gz RRRALNZNTJNINU-UHFFFAOYSA-N 1 0 379.555 2.353 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000639596460 652943417 /nfs/dbraw/zinc/94/34/17/652943417.db2.gz UNSRNYFSLLOIPV-XEZPLFJOSA-N 1 0 377.312 2.120 20 0 GEADRO CC(=O)NCC[N@H+](CCC(=O)NCc1cnc(C)s1)Cc1ccsc1 ZINC000639630944 652945064 /nfs/dbraw/zinc/94/50/64/652945064.db2.gz XZGCUCKEECHZDQ-UHFFFAOYSA-N 1 0 380.539 2.158 20 0 GEADRO COc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cnc1Cl ZINC000767726145 652946605 /nfs/dbraw/zinc/94/66/05/652946605.db2.gz POSJRSOWHWUTAV-UHFFFAOYSA-N 1 0 387.889 2.398 20 0 GEADRO C[C@](CO)([NH2+]C[C@H](O)CC1(O)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000639665458 652947127 /nfs/dbraw/zinc/94/71/27/652947127.db2.gz LHGBCHJAJJZMSI-HZPDHXFCSA-N 1 0 378.296 2.083 20 0 GEADRO Nc1nnc(C2CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)o1 ZINC000639726855 652950199 /nfs/dbraw/zinc/95/01/99/652950199.db2.gz OSYYJBGZNWDRCQ-NSHDSACASA-N 1 0 387.267 2.578 20 0 GEADRO Nc1nnc(C2CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000639725207 652950230 /nfs/dbraw/zinc/95/02/30/652950230.db2.gz JFDVRQGPJBVIFA-LLVKDONJSA-N 1 0 387.267 2.578 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000639761992 652952204 /nfs/dbraw/zinc/95/22/04/652952204.db2.gz PVJUIWDUJUZCIX-KRWDZBQOSA-N 1 0 384.318 2.166 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)cn1 ZINC000676094627 652953636 /nfs/dbraw/zinc/95/36/36/652953636.db2.gz YEMBMNZILLTVSR-UHFFFAOYSA-N 1 0 384.267 2.006 20 0 GEADRO CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639821658 652957686 /nfs/dbraw/zinc/95/76/86/652957686.db2.gz WARTWRCFKCRMEU-CYBMUJFWSA-N 1 0 399.866 2.446 20 0 GEADRO Nc1nnc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000639823326 652957868 /nfs/dbraw/zinc/95/78/68/652957868.db2.gz BAGOGQTYTVEORN-ZYHUDNBSSA-N 1 0 387.267 2.578 20 0 GEADRO CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639821659 652957884 /nfs/dbraw/zinc/95/78/84/652957884.db2.gz WARTWRCFKCRMEU-ZDUSSCGKSA-N 1 0 399.866 2.446 20 0 GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000601293135 653084983 /nfs/dbraw/zinc/08/49/83/653084983.db2.gz BFXYYRDYEOHQSX-COPLHBTASA-N 1 0 399.285 2.319 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000601305197 653085547 /nfs/dbraw/zinc/08/55/47/653085547.db2.gz 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CS[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C[C@@H]1[NH+]1CCCC1 ZINC000601397754 653091395 /nfs/dbraw/zinc/09/13/95/653091395.db2.gz SFOYLSLQGPQBJA-ZFWWWQNUSA-N 1 0 399.563 2.202 20 0 GEADRO COc1cc(NC(=O)NCC[NH+]2CCC(OC)CC2)ncc1Br ZINC000639967088 653091447 /nfs/dbraw/zinc/09/14/47/653091447.db2.gz KWSYJLCRSJJTPV-UHFFFAOYSA-N 1 0 387.278 2.085 20 0 GEADRO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@](C)(CO)C1 ZINC000640011449 653093298 /nfs/dbraw/zinc/09/32/98/653093298.db2.gz WQINBLRIHZTBMY-LRDDRELGSA-N 1 0 389.265 2.389 20 0 GEADRO COc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000676342248 653094566 /nfs/dbraw/zinc/09/45/66/653094566.db2.gz FNHPXLIJQILACF-CQSZACIVSA-N 1 0 383.286 2.441 20 0 GEADRO CSc1ccc(OCCN2CCc3c(cccc3S(N)(=O)=O)C2)cc1 ZINC000640161101 653097510 /nfs/dbraw/zinc/09/75/10/653097510.db2.gz HVSPTJKQTPSFFN-UHFFFAOYSA-N 1 0 378.519 2.493 20 0 GEADRO Cc1nn(C)c(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000640161688 653097700 /nfs/dbraw/zinc/09/77/00/653097700.db2.gz DUTRJTIXXBVIJH-GHMZBOCLSA-N 1 0 388.310 2.112 20 0 GEADRO CCOCCO[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000676745054 653105847 /nfs/dbraw/zinc/10/58/47/653105847.db2.gz UDHHMMJLIJXDCW-HNNXBMFYSA-N 1 0 396.285 2.084 20 0 GEADRO CC[NH+]1CCC(N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000768232483 653106511 /nfs/dbraw/zinc/10/65/11/653106511.db2.gz BAHHRPXKPOEBGW-HNNXBMFYSA-N 1 0 388.965 2.121 20 0 GEADRO CN1C(=O)C[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000768287389 653107751 /nfs/dbraw/zinc/10/77/51/653107751.db2.gz WKYFHMQCLIMEOO-WBVHZDCISA-N 1 0 380.945 2.170 20 0 GEADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601557682 653111486 /nfs/dbraw/zinc/11/14/86/653111486.db2.gz KRCRXQBDZMFYCI-AOOOYVTPSA-N 1 0 398.257 2.212 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000676887666 653113351 /nfs/dbraw/zinc/11/33/51/653113351.db2.gz QAOCFGOCGWWPIW-UHFFFAOYSA-N 1 0 384.278 2.096 20 0 GEADRO Cn1cc(Br)c(NC(=O)NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000640309376 653114215 /nfs/dbraw/zinc/11/42/15/653114215.db2.gz YPOLRADLWOXZMB-UHFFFAOYSA-N 1 0 380.290 2.826 20 0 GEADRO C[C@H](OC(=O)C1SCCS1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768578489 653118957 /nfs/dbraw/zinc/11/89/57/653118957.db2.gz FZVZPPZBPIHKIB-DZGCQCFKSA-N 1 0 380.535 2.115 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1nc2ccccc2cc1Br ZINC000640323176 653120379 /nfs/dbraw/zinc/12/03/79/653120379.db2.gz YWJOBRVPIVVGRV-ZDUSSCGKSA-N 1 0 378.270 2.184 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640384315 653123819 /nfs/dbraw/zinc/12/38/19/653123819.db2.gz NQONDEPJBHMXSA-MRVPVSSYSA-N 1 0 387.378 2.998 20 0 GEADRO CC[NH+]1CCC(CNC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640384610 653124199 /nfs/dbraw/zinc/12/41/99/653124199.db2.gz RXAMNFVFONLGGM-UHFFFAOYSA-N 1 0 387.378 3.046 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1cc2ccsc2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000678091160 653126386 /nfs/dbraw/zinc/12/63/86/653126386.db2.gz KESXXIJSVOBECZ-CQSZACIVSA-N 1 0 383.539 2.201 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](CCO)C1CC1 ZINC000771796861 653126977 /nfs/dbraw/zinc/12/69/77/653126977.db2.gz SQKXMYCFGAZCNF-AWEZNQCLSA-N 1 0 388.249 2.289 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1CCCCC1 ZINC000678896502 653133768 /nfs/dbraw/zinc/13/37/68/653133768.db2.gz JYKLEQFWLYVYKJ-QGZVFWFLSA-N 1 0 375.579 2.111 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c(Br)c1 ZINC000678923998 653134088 /nfs/dbraw/zinc/13/40/88/653134088.db2.gz IJWLTVGAFBLBMM-LLVKDONJSA-N 1 0 379.320 2.390 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3CCOc4ccc(Br)cc43)CC2)N1 ZINC000678909594 653134350 /nfs/dbraw/zinc/13/43/50/653134350.db2.gz AASQJZDIYZZLID-OFKYTCTHSA-N 1 0 394.269 2.383 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+]CCCc3cccc(Br)c3)CC2)N1 ZINC000678929538 653134419 /nfs/dbraw/zinc/13/44/19/653134419.db2.gz JWHVOFZXSVFYHJ-UHFFFAOYSA-N 1 0 380.286 2.492 20 0 GEADRO C[C@@H]1CCCN(C(=O)Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)C1 ZINC000640774718 653137832 /nfs/dbraw/zinc/13/78/32/653137832.db2.gz QUZFVRQCNKOKJA-SJKOYZFVSA-N 1 0 392.301 2.347 20 0 GEADRO [NH3+]C1CCN(CCc2cn(Cc3ccc(Br)cc3F)nn2)CC1 ZINC000640798341 653139448 /nfs/dbraw/zinc/13/94/48/653139448.db2.gz OPIZRPTUIATLHQ-UHFFFAOYSA-N 1 0 382.281 2.194 20 0 GEADRO Brc1cc2c(cc1Cn1cc(C[C@@H]3CCC[NH2+]C3)nn1)OCO2 ZINC000640852440 653142397 /nfs/dbraw/zinc/14/23/97/653142397.db2.gz GRQMORWOPHPRRT-NSHDSACASA-N 1 0 379.258 2.360 20 0 GEADRO COc1ccc(Br)cc1Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000640876565 653143016 /nfs/dbraw/zinc/14/30/16/653143016.db2.gz MDTVQOKUNXARBA-UHFFFAOYSA-N 1 0 394.317 2.063 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Br)c1)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640882267 653143389 /nfs/dbraw/zinc/14/33/89/653143389.db2.gz VXLXWAHJYYMWRK-RYUDHWBXSA-N 1 0 378.274 2.392 20 0 GEADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640882265 653143579 /nfs/dbraw/zinc/14/35/79/653143579.db2.gz VXLXWAHJYYMWRK-NEPJUHHUSA-N 1 0 378.274 2.392 20 0 GEADRO C[C@@H](C(=O)Nc1cccc(Br)c1)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000640882266 653143655 /nfs/dbraw/zinc/14/36/55/653143655.db2.gz VXLXWAHJYYMWRK-NWDGAFQWSA-N 1 0 378.274 2.392 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)n1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640900709 653145103 /nfs/dbraw/zinc/14/51/03/653145103.db2.gz BADSVSOSXFYIHZ-VCTAVGKDSA-N 1 0 394.273 2.419 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC000679422490 653146485 /nfs/dbraw/zinc/14/64/85/653146485.db2.gz GUTIWUWJJSRPJG-GFCCVEGCSA-N 1 0 391.331 2.416 20 0 GEADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1cncc(Br)c1 ZINC000679511525 653147783 /nfs/dbraw/zinc/14/77/83/653147783.db2.gz IWLNUBNUORXJNM-UHFFFAOYSA-N 1 0 387.197 2.002 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000640979548 653147852 /nfs/dbraw/zinc/14/78/52/653147852.db2.gz KOUVDTOUFCJKDS-NSHDSACASA-N 1 0 398.330 2.228 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000640984740 653149062 /nfs/dbraw/zinc/14/90/62/653149062.db2.gz XVRRJZORJROOSH-GFCCVEGCSA-N 1 0 382.295 2.396 20 0 GEADRO COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)[C@@H](C)[NH+](C)C ZINC000602131900 653149114 /nfs/dbraw/zinc/14/91/14/653149114.db2.gz MJOYGXLHINAMBU-YGRLFVJLSA-N 1 0 396.285 2.081 20 0 GEADRO [NH3+][C@@H](c1cn(Cc2nnc(C3CC3)o2)nn1)c1ccc(Br)cc1 ZINC000640990823 653149626 /nfs/dbraw/zinc/14/96/26/653149626.db2.gz ALLXBVXCUSCDMW-CQSZACIVSA-N 1 0 375.230 2.397 20 0 GEADRO OCCCC[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000769393482 653151484 /nfs/dbraw/zinc/15/14/84/653151484.db2.gz CVDRAUGZTAVVRO-UHFFFAOYSA-N 1 0 385.302 2.110 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2ccccc2Br)C1 ZINC000602155735 653152245 /nfs/dbraw/zinc/15/22/45/653152245.db2.gz IUNVPJGKIYWOOT-KBPBESRZSA-N 1 0 385.302 2.443 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]CC1)N(CCO)Cc1cc(Br)cs1 ZINC000641043261 653152687 /nfs/dbraw/zinc/15/26/87/653152687.db2.gz NYQGLLVQAJWPIM-LBPRGKRZSA-N 1 0 376.320 2.157 20 0 GEADRO C[NH+](C)CCc1cn(Cc2nc(-c3ccc(Br)s3)no2)nn1 ZINC000641048449 653152742 /nfs/dbraw/zinc/15/27/42/653152742.db2.gz MYTIXWUJVRUJMI-UHFFFAOYSA-N 1 0 383.275 2.305 20 0 GEADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000769402470 653153088 /nfs/dbraw/zinc/15/30/88/653153088.db2.gz KECZKUHQRKMWPZ-GJZGRUSLSA-N 1 0 379.309 2.276 20 0 GEADRO COC[C@H]([NH3+])Cc1cn(Cc2ncc(-c3ccc(Br)cc3)o2)nn1 ZINC000641073225 653154676 /nfs/dbraw/zinc/15/46/76/653154676.db2.gz RIVCVJAVMFMWIC-CYBMUJFWSA-N 1 0 392.257 2.260 20 0 GEADRO COc1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000602200214 653157134 /nfs/dbraw/zinc/15/71/34/653157134.db2.gz HPICTTZHYRKCBU-CQSZACIVSA-N 1 0 396.329 2.356 20 0 GEADRO COC[C@@H]([NH3+])Cc1cn([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nn1 ZINC000641107611 653157258 /nfs/dbraw/zinc/15/72/58/653157258.db2.gz HZSQDGRBOYZFMR-ZUZCIYMTSA-N 1 0 384.267 2.079 20 0 GEADRO COc1ccc(Cn2cc(CCN3CCC([NH3+])CC3)nn2)c(Br)c1 ZINC000641118718 653159155 /nfs/dbraw/zinc/15/91/55/653159155.db2.gz SPDXEIYLMJKWHP-UHFFFAOYSA-N 1 0 394.317 2.063 20 0 GEADRO C[C@H](c1cccc(Br)c1)n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000641134242 653161072 /nfs/dbraw/zinc/16/10/72/653161072.db2.gz JLAVATDVCCSXNL-GFCCVEGCSA-N 1 0 392.301 2.266 20 0 GEADRO Cc1ccc(Cn2cc(CNC(=O)C3CC[NH2+]CC3)nn2)cc1Br ZINC000641138560 653161792 /nfs/dbraw/zinc/16/17/92/653161792.db2.gz DFCSKWWQKPGAAD-UHFFFAOYSA-N 1 0 392.301 2.013 20 0 GEADRO CC(C)n1ncnc1Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641165815 653164774 /nfs/dbraw/zinc/16/47/74/653164774.db2.gz ICRAKSKDOYVMKT-OAHLLOKOSA-N 1 0 376.262 2.309 20 0 GEADRO CCCn1ncnc1Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641166051 653165035 /nfs/dbraw/zinc/16/50/35/653165035.db2.gz JCMKIAYPTZOAEB-OAHLLOKOSA-N 1 0 376.262 2.139 20 0 GEADRO C[NH+]1CCN(Cc2cn(Cc3c(F)ccc(Br)c3F)nn2)CC1 ZINC000641173369 653166273 /nfs/dbraw/zinc/16/62/73/653166273.db2.gz GLLZKYDLWSLITG-UHFFFAOYSA-N 1 0 386.244 2.115 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641192177 653167234 /nfs/dbraw/zinc/16/72/34/653167234.db2.gz HUJYRQRGQQWXAX-CJNGLKHVSA-N 1 0 395.301 2.023 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000680827397 653169811 /nfs/dbraw/zinc/16/98/11/653169811.db2.gz CYPQJFINRSNPJE-QGZVFWFLSA-N 1 0 381.314 2.444 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000772874306 653170034 /nfs/dbraw/zinc/17/00/34/653170034.db2.gz BSQFAMDXPBPFNT-CABCVRRESA-N 1 0 377.551 2.084 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000772874309 653170071 /nfs/dbraw/zinc/17/00/71/653170071.db2.gz BSQFAMDXPBPFNT-LSDHHAIUSA-N 1 0 377.551 2.084 20 0 GEADRO [NH3+][C@H](c1cn(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nn1)[C@@H]1CCCO1 ZINC000641206341 653170060 /nfs/dbraw/zinc/17/00/60/653170060.db2.gz SUJIJBFCQFBWKR-HPEXNQPKSA-N 1 0 387.267 2.204 20 0 GEADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccc(Br)cn3)CC2)CC1 ZINC000680841709 653170535 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Cc1nc(C)c(-c2csc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)n2)s1 ZINC000602446490 653181654 /nfs/dbraw/zinc/18/16/54/653181654.db2.gz CZJFTGLORHICQG-DEOSSOPVSA-N 1 0 384.552 2.323 20 0 GEADRO Cn1c2cc(Br)ccc2nc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000681593675 653186995 /nfs/dbraw/zinc/18/69/95/653186995.db2.gz QHYVQWLFXJXDJB-RDJZCZTQSA-N 1 0 393.329 2.367 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)CCC2C[NH2+]C2)C[C@H]1c1ccc(Br)cc1 ZINC000602514249 653187227 /nfs/dbraw/zinc/18/72/27/653187227.db2.gz INWOSAKGLDQBTM-JKSUJKDBSA-N 1 0 395.297 2.164 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000773195730 653187474 /nfs/dbraw/zinc/18/74/74/653187474.db2.gz APFNRBWYPXQULR-XJKSGUPXSA-N 1 0 394.313 2.403 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000602523633 653188525 /nfs/dbraw/zinc/18/85/25/653188525.db2.gz DGNWLMBXDZFFOA-OAHLLOKOSA-N 1 0 383.286 2.468 20 0 GEADRO O=C(C[NH2+]Cc1ccc(I)s1)NCC(F)(F)F ZINC000602534085 653188817 /nfs/dbraw/zinc/18/88/17/653188817.db2.gz NQWAEEGCUWZDFD-UHFFFAOYSA-N 1 0 378.157 2.121 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nccn3c(Br)cnc23)C[C@H]1C ZINC000769912696 653189796 /nfs/dbraw/zinc/18/97/96/653189796.db2.gz WZNRLNXQAQJZKR-NEPJUHHUSA-N 1 0 380.290 2.437 20 0 GEADRO COC(=O)[C@]1(NC(=O)C2=CC[C@@H]([NH3+])C2)CCc2cc(Br)ccc2C1 ZINC000602545829 653190056 /nfs/dbraw/zinc/19/00/56/653190056.db2.gz XJKYPLNFWNXVMX-QAPCUYQASA-N 1 0 393.281 2.013 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)nc1Br ZINC000807354163 653190797 /nfs/dbraw/zinc/19/07/97/653190797.db2.gz GMICRQBIQFXRDA-QWHCGFSZSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)c2cc(F)c(F)cc2I)C[NH2+]1 ZINC000602554022 653190824 /nfs/dbraw/zinc/19/08/24/653190824.db2.gz MDWYTZJOAZJJLO-SFYZADRCSA-N 1 0 380.176 2.440 20 0 GEADRO [NH3+]CCCOCCNC(=O)c1ccc(Cl)c(I)c1 ZINC000602559686 653191264 /nfs/dbraw/zinc/19/12/64/653191264.db2.gz ZFMWDQOWXLJBCZ-UHFFFAOYSA-N 1 0 382.629 2.040 20 0 GEADRO [NH3+]CCCOCCNC(=O)c1cc(Cl)ccc1I ZINC000602558897 653191280 /nfs/dbraw/zinc/19/12/80/653191280.db2.gz WHRMKUYHSJMIES-UHFFFAOYSA-N 1 0 382.629 2.040 20 0 GEADRO COC(=O)C[C@]1([NH2+]Cc2ccc(I)s2)CCOC1 ZINC000602610112 653194350 /nfs/dbraw/zinc/19/43/50/653194350.db2.gz FYBGZVRCEGEEIU-GFCCVEGCSA-N 1 0 381.235 2.165 20 0 GEADRO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(Cl)c2N)CCS(=O)(=O)CC1 ZINC000602625661 653196158 /nfs/dbraw/zinc/19/61/58/653196158.db2.gz GALLRPGREJKBJX-UHFFFAOYSA-N 1 0 395.308 2.176 20 0 GEADRO C[C@H](CCc1ccc(I)cc1)[NH2+]Cc1cnc(N)nc1N ZINC000602637907 653197258 /nfs/dbraw/zinc/19/72/58/653197258.db2.gz JDJOYNCQGWGPAR-SNVBAGLBSA-N 1 0 397.264 2.017 20 0 GEADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)C(=O)OC(C)(C)C ZINC000602696310 653201116 /nfs/dbraw/zinc/20/11/16/653201116.db2.gz XVQZKDWAAQGBLC-LBPRGKRZSA-N 1 0 376.544 2.489 20 0 GEADRO C[C@H](NC(=O)CN1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000682034520 653204337 /nfs/dbraw/zinc/20/43/37/653204337.db2.gz HRWPUUVJNUUSCU-AWEZNQCLSA-N 1 0 398.345 2.015 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cn2cc(Br)ccc2n1 ZINC000682031236 653204371 /nfs/dbraw/zinc/20/43/71/653204371.db2.gz RLIBMDQQNZDXKL-ZDUSSCGKSA-N 1 0 381.318 2.374 20 0 GEADRO CC1(C)CN(Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1CCO ZINC000682034089 653204512 /nfs/dbraw/zinc/20/45/12/653204512.db2.gz VRECFBNUDRRNPD-UHFFFAOYSA-N 1 0 385.302 2.109 20 0 GEADRO O=C(/C=C/c1cc(Br)ccc1F)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000773534000 653204565 /nfs/dbraw/zinc/20/45/65/653204565.db2.gz RLZIOBGUBJDTMT-FIMWJMCYSA-N 1 0 382.277 2.108 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602761962 653205112 /nfs/dbraw/zinc/20/51/12/653205112.db2.gz CZAJOHJLVFJUDG-UHFFFAOYSA-N 1 0 378.270 2.458 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000682274821 653206848 /nfs/dbraw/zinc/20/68/48/653206848.db2.gz WJZDTYPYILUYDP-HNNXBMFYSA-N 1 0 394.313 2.329 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000682355686 653208262 /nfs/dbraw/zinc/20/82/62/653208262.db2.gz RBYLMOJPDXBZOR-GFCCVEGCSA-N 1 0 398.301 2.385 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000682354329 653208376 /nfs/dbraw/zinc/20/83/76/653208376.db2.gz FDFCMTURGVMKEG-OAHLLOKOSA-N 1 0 394.313 2.327 20 0 GEADRO O=S1(=O)CC(CC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000682474583 653211461 /nfs/dbraw/zinc/21/14/61/653211461.db2.gz FBPIFVGKNPUECY-UHFFFAOYSA-N 1 0 375.281 2.098 20 0 GEADRO C[NH+]1CCC(ONC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000808024824 653215311 /nfs/dbraw/zinc/21/53/11/653215311.db2.gz RNHOJJQKVHRTHO-UHFFFAOYSA-N 1 0 379.258 2.390 20 0 GEADRO Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H]2CC(C(N)=O)=NO2)c1C ZINC000808043111 653215346 /nfs/dbraw/zinc/21/53/46/653215346.db2.gz GZEZFRQBHKSGRM-NSHDSACASA-N 1 0 377.242 2.078 20 0 GEADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000808079471 653217165 /nfs/dbraw/zinc/21/71/65/653217165.db2.gz GXOXMCFACNNDFR-CVEARBPZSA-N 1 0 375.296 2.380 20 0 GEADRO O=C(Cc1ccc(Br)c(Cl)c1)NCC[N@@H+]1CCCOCC1 ZINC000682533763 653217331 /nfs/dbraw/zinc/21/73/31/653217331.db2.gz DJLMSTOQUHCITO-UHFFFAOYSA-N 1 0 375.694 2.484 20 0 GEADRO FCCCCC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602952780 653217411 /nfs/dbraw/zinc/21/74/11/653217411.db2.gz BOBLDERRISIFOZ-UHFFFAOYSA-N 1 0 378.233 2.343 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000682595182 653218970 /nfs/dbraw/zinc/21/89/70/653218970.db2.gz HCUGTIVOOKDVJZ-ARFHVFGLSA-N 1 0 394.313 2.401 20 0 GEADRO CN(CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000682689898 653221444 /nfs/dbraw/zinc/22/14/44/653221444.db2.gz KCNIWYIQIYQFBR-GHMZBOCLSA-N 1 0 388.331 2.182 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCOC1 ZINC000770702460 653221513 /nfs/dbraw/zinc/22/15/13/653221513.db2.gz ZDFDWAJANAQEMT-PXAZEXFGSA-N 1 0 392.279 2.435 20 0 GEADRO COC(=O)C[C@@]1([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCCOC1 ZINC000770702461 653221621 /nfs/dbraw/zinc/22/16/21/653221621.db2.gz ZDFDWAJANAQEMT-SJCJKPOMSA-N 1 0 392.279 2.435 20 0 GEADRO COC(=O)c1ncc(NC(=O)NCC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000603044454 653223816 /nfs/dbraw/zinc/22/38/16/653223816.db2.gz BNCZAXFQILYQSP-UHFFFAOYSA-N 1 0 386.905 2.471 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(Br)n1 ZINC000774100394 653224501 /nfs/dbraw/zinc/22/45/01/653224501.db2.gz LKMUVGKNKSJJMQ-CHWSQXEVSA-N 1 0 397.317 2.470 20 0 GEADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)s1 ZINC000682938786 653227247 /nfs/dbraw/zinc/22/72/47/653227247.db2.gz QEZRCJLBDUTGLD-CYBMUJFWSA-N 1 0 387.571 2.346 20 0 GEADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000683162293 653228948 /nfs/dbraw/zinc/22/89/48/653228948.db2.gz FUQXFLGKPGPFDA-UHFFFAOYSA-N 1 0 392.258 2.298 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCCN(c2ncnc(C(F)(F)F)c2Br)C1 ZINC000641656317 653229016 /nfs/dbraw/zinc/22/90/16/653229016.db2.gz DLVNGEYKEABBPA-LBPRGKRZSA-N 1 0 383.212 2.151 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641662755 653229252 /nfs/dbraw/zinc/22/92/52/653229252.db2.gz KBVFHZRVEBCKED-OAHLLOKOSA-N 1 0 387.571 2.139 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000774249922 653230992 /nfs/dbraw/zinc/23/09/92/653230992.db2.gz FYSIWAWXWKUKDY-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNCc2cc(Br)sc2Br)C1 ZINC000641748267 653232772 /nfs/dbraw/zinc/23/27/72/653232772.db2.gz WJEPZAZLEONXGQ-LLVKDONJSA-N 1 0 384.137 2.429 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NCc1ccc(OC)c(O)c1Br ZINC000641773164 653233444 /nfs/dbraw/zinc/23/34/44/653233444.db2.gz VMNHQTDXKWEJAQ-ZDUSSCGKSA-N 1 0 375.307 2.346 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cncc(Br)c1 ZINC000641785823 653233954 /nfs/dbraw/zinc/23/39/54/653233954.db2.gz LKRFHTVEJKMFFQ-MAUKXSAKSA-N 1 0 397.361 2.291 20 0 GEADRO Brc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000641789645 653234151 /nfs/dbraw/zinc/23/41/51/653234151.db2.gz OTTYIZZWNCPSJQ-GOSISDBHSA-N 1 0 382.346 2.335 20 0 GEADRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2nnnn2-c2ccccc2Br)[C@@H]1C ZINC000641807567 653234284 /nfs/dbraw/zinc/23/42/84/653234284.db2.gz KYJDADBWNLPYCZ-UPJWGTAASA-N 1 0 379.306 2.373 20 0 GEADRO COC(=O)C[C@](C)([NH2+]CCC(=O)N(C)OC)c1ccc(Br)cc1 ZINC000808758758 653234956 /nfs/dbraw/zinc/23/49/56/653234956.db2.gz DVCJBFYUTUKTKQ-INIZCTEOSA-N 1 0 387.274 2.227 20 0 GEADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)[C@H]2C1 ZINC000808783975 653235103 /nfs/dbraw/zinc/23/51/03/653235103.db2.gz WEKRBIZNOMMBIM-WBAXXEDZSA-N 1 0 384.929 2.350 20 0 GEADRO CC(C)C(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000642102364 653237711 /nfs/dbraw/zinc/23/77/11/653237711.db2.gz QOWAJURDADXFKN-INIZCTEOSA-N 1 0 399.329 2.425 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](C)[NH+](C)C ZINC000642152786 653238246 /nfs/dbraw/zinc/23/82/46/653238246.db2.gz QRQJEWXZKWSTOX-IUODEOHRSA-N 1 0 384.318 2.270 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000808977102 653238346 /nfs/dbraw/zinc/23/83/46/653238346.db2.gz UBKQNSOSUYHOLM-LBPRGKRZSA-N 1 0 385.306 2.328 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000774488600 653239286 /nfs/dbraw/zinc/23/92/86/653239286.db2.gz DGYWWNKAWFZCKE-UHFFFAOYSA-N 1 0 383.290 2.080 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642327438 653242136 /nfs/dbraw/zinc/24/21/36/653242136.db2.gz AEMWMJYABQLGTI-CZUORRHYSA-N 1 0 396.329 2.145 20 0 GEADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000642335183 653242892 /nfs/dbraw/zinc/24/28/92/653242892.db2.gz OPSJIJVHHKNOFO-UHFFFAOYSA-N 1 0 380.341 2.299 20 0 GEADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000642335103 653243039 /nfs/dbraw/zinc/24/30/39/653243039.db2.gz IZIQQNPLGYDYKG-UHFFFAOYSA-N 1 0 380.341 2.299 20 0 GEADRO CN(CCN(C)C1CC[NH+](C)CC1)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000774725414 653250818 /nfs/dbraw/zinc/25/08/18/653250818.db2.gz FNRHVJFZFAJJKM-UHFFFAOYSA-N 1 0 387.977 2.072 20 0 GEADRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2c(Cl)n(C)nc2C(F)(F)F)C1 ZINC000774774335 653253949 /nfs/dbraw/zinc/25/39/49/653253949.db2.gz DWIUWAPBLZAXCP-SNVBAGLBSA-N 1 0 383.802 2.200 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000874070858 653258186 /nfs/dbraw/zinc/25/81/86/653258186.db2.gz MMRHASUQXDAQOI-UHFFFAOYSA-N 1 0 397.317 2.409 20 0 GEADRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000774830362 653262153 /nfs/dbraw/zinc/26/21/53/653262153.db2.gz CCYZDPFNBROFHK-UMVBOHGHSA-N 1 0 375.922 2.109 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000874120938 653265630 /nfs/dbraw/zinc/26/56/30/653265630.db2.gz HFPUZZFENIYAIB-UHFFFAOYSA-N 1 0 378.420 2.480 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000684482441 653267712 /nfs/dbraw/zinc/26/77/12/653267712.db2.gz QZGOBNXYJWNDLI-QWHCGFSZSA-N 1 0 387.293 2.434 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000774964559 653274971 /nfs/dbraw/zinc/27/49/71/653274971.db2.gz ONDIXWFGSMASCF-CABCVRRESA-N 1 0 386.323 2.496 20 0 GEADRO CN1CCN(C(=O)C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000684551879 653275335 /nfs/dbraw/zinc/27/53/35/653275335.db2.gz CMQLWVIVKBSSPF-KRWDZBQOSA-N 1 0 384.293 2.403 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1Cl ZINC000874171770 653278860 /nfs/dbraw/zinc/27/88/60/653278860.db2.gz VNGZQUGHHOQDBD-HZMBPMFUSA-N 1 0 386.279 2.493 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)CC[C@@H]21 ZINC000874174104 653280207 /nfs/dbraw/zinc/28/02/07/653280207.db2.gz QDUYFVDWVVIJFX-YGRLFVJLSA-N 1 0 384.249 2.079 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000874175910 653280469 /nfs/dbraw/zinc/28/04/69/653280469.db2.gz QXVGUAPREQOAQG-DGCLKSJQSA-N 1 0 398.276 2.388 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857085807 653283052 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COC[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cccc(Cl)c1 ZINC000685655408 653310866 /nfs/dbraw/zinc/31/08/66/653310866.db2.gz PQAGJDWOGVXUNR-IRXDYDNUSA-N 1 0 389.949 2.278 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1Br ZINC000874362786 653312312 /nfs/dbraw/zinc/31/23/12/653312312.db2.gz DNWVKCPRSHMIQQ-CABCVRRESA-N 1 0 380.286 2.391 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000775394146 653312719 /nfs/dbraw/zinc/31/27/19/653312719.db2.gz CTAIUKMXUFCRGR-IHRRRGAJSA-N 1 0 378.535 2.160 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)s1 ZINC000775417074 653313270 /nfs/dbraw/zinc/31/32/70/653313270.db2.gz ZZQSSOBCBFGWOL-DYEKYZERSA-N 1 0 378.610 2.304 20 0 GEADRO CCc1ccc([C@@H](CNC(=O)c2c(Br)nnn2C)[NH+](C)C)cc1 ZINC000809947247 653314401 /nfs/dbraw/zinc/31/44/01/653314401.db2.gz BAHFBFNHFKJREB-CYBMUJFWSA-N 1 0 380.290 2.173 20 0 GEADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000685889781 653315658 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COCCS(=O)(=O)CCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810063178 653320465 /nfs/dbraw/zinc/32/04/65/653320465.db2.gz PWBIYBIJAOUWFY-IRXDYDNUSA-N 1 0 392.924 2.265 20 0 GEADRO CCN1CC[NH+](CCCCNC(=O)c2csc(Br)n2)CC1 ZINC000874467670 653321953 /nfs/dbraw/zinc/32/19/53/653321953.db2.gz URLMSZZDRAJXHM-UHFFFAOYSA-N 1 0 375.336 2.053 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1c(Br)nnn1C)Cc1ccccc1 ZINC000810091184 653323823 /nfs/dbraw/zinc/32/38/23/653323823.db2.gz KANLEAIRCIAKMG-AWEZNQCLSA-N 1 0 394.317 2.261 20 0 GEADRO COC(=O)[C@](C)(NC[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000775730546 653326783 /nfs/dbraw/zinc/32/67/83/653326783.db2.gz AIMMUGLNZJKQEP-CXAGYDPISA-N 1 0 375.296 2.428 20 0 GEADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000810118514 653326978 /nfs/dbraw/zinc/32/69/78/653326978.db2.gz WRGJNTOFYVASHK-LLVKDONJSA-N 1 0 378.441 2.150 20 0 GEADRO O[C@H](CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1)C[NH+]1CCCC1 ZINC000775734276 653327317 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1 0 390.285 2.339 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C(F)(F)F)n1 ZINC000874846570 653339475 /nfs/dbraw/zinc/33/94/75/653339475.db2.gz YOCZNVPREVJUJW-TYNCELHUSA-N 1 0 377.432 2.287 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000810438371 653339666 /nfs/dbraw/zinc/33/96/66/653339666.db2.gz UBKQNSOSUYHOLM-GFCCVEGCSA-N 1 0 385.306 2.328 20 0 GEADRO Cn1cnc(C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)n1 ZINC000857881174 653341882 /nfs/dbraw/zinc/34/18/82/653341882.db2.gz RMAHZEIREBBCRC-CYBMUJFWSA-N 1 0 378.274 2.101 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000810496054 653342228 /nfs/dbraw/zinc/34/22/28/653342228.db2.gz NROCKLLBGDHQHH-LBPRGKRZSA-N 1 0 385.306 2.328 20 0 GEADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318652 653344695 /nfs/dbraw/zinc/34/46/95/653344695.db2.gz OLFQPMGCIMLAKY-CZUORRHYSA-N 1 0 377.360 2.428 20 0 GEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318653 653344977 /nfs/dbraw/zinc/34/49/77/653344977.db2.gz OLFQPMGCIMLAKY-XJKSGUPXSA-N 1 0 377.360 2.428 20 0 GEADRO O=C(NCC[C@H]1CCSC1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000874993396 653345243 /nfs/dbraw/zinc/34/52/43/653345243.db2.gz CGOTTZQJIYTUPW-GJZGRUSLSA-N 1 0 381.567 2.261 20 0 GEADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000875002398 653346632 /nfs/dbraw/zinc/34/66/32/653346632.db2.gz YVMXBNHCSISPNS-JSGCOSHPSA-N 1 0 376.328 2.210 20 0 GEADRO Cn1cc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c(Br)n1 ZINC000858086839 653347500 /nfs/dbraw/zinc/34/75/00/653347500.db2.gz OGYJUVWKWJPDRT-CQSZACIVSA-N 1 0 398.374 2.322 20 0 GEADRO Cc1ccc([C@H](C[NH2+]Cc2cn(C)nc2Br)N2CCOCC2)o1 ZINC000858090049 653347782 /nfs/dbraw/zinc/34/77/82/653347782.db2.gz IGQXHAXTKIJIRJ-AWEZNQCLSA-N 1 0 383.290 2.247 20 0 GEADRO COc1cc(C[C@@H](CO)C[NH2+]Cc2cn(C)nc2Br)cc(OC)c1 ZINC000858148016 653350709 /nfs/dbraw/zinc/35/07/09/653350709.db2.gz ILXMIXRIJNFHSX-CYBMUJFWSA-N 1 0 398.301 2.141 20 0 GEADRO Cn1cc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(Br)n1 ZINC000858143836 653350725 /nfs/dbraw/zinc/35/07/25/653350725.db2.gz YCPDMYQEHRCZLZ-RDJZCZTQSA-N 1 0 393.329 2.155 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000875131482 653353990 /nfs/dbraw/zinc/35/39/90/653353990.db2.gz DNHULGJETKZIKM-ZDUSSCGKSA-N 1 0 396.329 2.053 20 0 GEADRO CCn1cc(Br)cc1C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810765449 653356195 /nfs/dbraw/zinc/35/61/95/653356195.db2.gz AJGRJXIVYVKORZ-LBPRGKRZSA-N 1 0 394.273 2.469 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000810837409 653361319 /nfs/dbraw/zinc/36/13/19/653361319.db2.gz HTIHVDQRCPRHPJ-KGLIPLIRSA-N 1 0 386.901 2.374 20 0 GEADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000858469102 653365207 /nfs/dbraw/zinc/36/52/07/653365207.db2.gz QBUHGPVETSERMU-AAEUAGOBSA-N 1 0 387.347 2.286 20 0 GEADRO Cc1c(Br)nccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000836680353 653368834 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GEADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859040869 653396034 /nfs/dbraw/zinc/39/60/34/653396034.db2.gz ICTBMTREDLNZPF-LLVKDONJSA-N 1 0 394.310 2.336 20 0 GEADRO O=C(Cc1ccc(Cl)cc1Br)NCC[NH+]1CCC(O)CC1 ZINC000837023337 653396472 /nfs/dbraw/zinc/39/64/72/653396472.db2.gz XGSUYBBTYGBYPW-UHFFFAOYSA-N 1 0 375.694 2.218 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1Cl ZINC000859045845 653396996 /nfs/dbraw/zinc/39/69/96/653396996.db2.gz DKGJVZIFZQPXBS-NSHDSACASA-N 1 0 375.878 2.138 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)nc3F)CC[C@H]21 ZINC000859069561 653400167 /nfs/dbraw/zinc/40/01/67/653400167.db2.gz RGCTZYJKYBZEAS-WDEREUQCSA-N 1 0 392.294 2.088 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)nc3F)CC[C@@H]21 ZINC000859069559 653400210 /nfs/dbraw/zinc/40/02/10/653400210.db2.gz RGCTZYJKYBZEAS-MNOVXSKESA-N 1 0 392.294 2.088 20 0 GEADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000859075664 653401591 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C[NH+](C)CC(C)(C)NC(=O)c1cccn2c(I)cnc12 ZINC000837239299 653415524 /nfs/dbraw/zinc/41/55/24/653415524.db2.gz OVVDLMVLUZOUIE-UHFFFAOYSA-N 1 0 386.237 2.009 20 0 GEADRO CN(C)c1cc[n+](C(C(=O)c2nccs2)C(=S)NCC(F)(F)F)cc1 ZINC000778083953 653424805 /nfs/dbraw/zinc/42/48/05/653424805.db2.gz LFZPSMXFOBQZPE-UHFFFAOYSA-O 1 0 389.448 2.340 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(Br)nc3n2CCCC3)C[C@H](C)O1 ZINC000837323872 653427213 /nfs/dbraw/zinc/42/72/13/653427213.db2.gz VFKNGMNAVHZSCE-BETUJISGSA-N 1 0 399.333 2.211 20 0 GEADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(F)c(Br)c1 ZINC000876473131 653431030 /nfs/dbraw/zinc/43/10/30/653431030.db2.gz MVTNNFPGHPUEEM-INIZCTEOSA-N 1 0 389.265 2.007 20 0 GEADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000876557287 653435676 /nfs/dbraw/zinc/43/56/76/653435676.db2.gz HKXJEFTWZHEHHR-YTRGCGJWSA-N 1 0 380.286 2.224 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876589618 653437150 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CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876663797 653442034 /nfs/dbraw/zinc/44/20/34/653442034.db2.gz DNYKQKYKZAOKDQ-WBVHZDCISA-N 1 0 386.901 2.234 20 0 GEADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876733068 653444575 /nfs/dbraw/zinc/44/45/75/653444575.db2.gz NDNYEAAXLKRALD-WOSRLPQWSA-N 1 0 384.293 2.339 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000859347146 653446247 /nfs/dbraw/zinc/44/62/47/653446247.db2.gz LIFKMPOHNCRGIF-GJZGRUSLSA-N 1 0 377.551 2.036 20 0 GEADRO CCOC(=O)c1csc(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)n1 ZINC000876766225 653446755 /nfs/dbraw/zinc/44/67/55/653446755.db2.gz FNEMIRXHFZWQPW-CYBMUJFWSA-N 1 0 398.282 2.399 20 0 GEADRO CSc1ccc(/C=C/C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000876841743 653450516 /nfs/dbraw/zinc/45/05/16/653450516.db2.gz UZCHCVLXRKCEFY-FXMSTWTQSA-N 1 0 379.473 2.436 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876877312 653451430 /nfs/dbraw/zinc/45/14/30/653451430.db2.gz SKBREDQUZYIGQC-IINYFYTJSA-N 1 0 375.238 2.360 20 0 GEADRO COC(=O)c1cc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc(Br)c1F ZINC000876909993 653453526 /nfs/dbraw/zinc/45/35/26/653453526.db2.gz OOBIKNKCFXRHQN-HQJQHLMTSA-N 1 0 377.185 2.261 20 0 GEADRO C[C@@]1(Br)C[C@@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876918682 653454003 /nfs/dbraw/zinc/45/40/03/653454003.db2.gz LNQRKLPBGCFLIA-CXAGYDPISA-N 1 0 382.302 2.083 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000876913503 653454025 /nfs/dbraw/zinc/45/40/25/653454025.db2.gz GUFWFZVFLXCVDW-MRXNPFEDSA-N 1 0 387.933 2.180 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000876921704 653454525 /nfs/dbraw/zinc/45/45/25/653454525.db2.gz JHPUNAPQJOYKKN-UHFFFAOYSA-N 1 0 382.711 2.011 20 0 GEADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000876941537 653455668 /nfs/dbraw/zinc/45/56/68/653455668.db2.gz NBZUXEQBUPBVEV-AWEZNQCLSA-N 1 0 378.274 2.401 20 0 GEADRO CCn1ncc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1Br ZINC000876950637 653455962 /nfs/dbraw/zinc/45/59/62/653455962.db2.gz RFBOZGJVEABYDC-MRVWCRGKSA-N 1 0 385.306 2.167 20 0 GEADRO O=S(=O)(NC[C@H]1CCCO1)c1ccc(C[NH2+]C[C@H]2CC2(Cl)Cl)cc1 ZINC000876983661 653457848 /nfs/dbraw/zinc/45/78/48/653457848.db2.gz SJIGRJSCMYCGFQ-ZIAGYGMSSA-N 1 0 393.336 2.427 20 0 GEADRO COC[C@]1(C(=O)Nc2ccc(SC)c(Br)c2)C[NH2+]CCO1 ZINC000876993224 653458658 /nfs/dbraw/zinc/45/86/58/653458658.db2.gz YZKMFLSYNWOXNR-AWEZNQCLSA-N 1 0 375.288 2.115 20 0 GEADRO [NH3+]Cc1cccc2c1N(C(=O)Cn1ccc(Br)cc1=O)CCC2 ZINC000877015073 653459878 /nfs/dbraw/zinc/45/98/78/653459878.db2.gz DUDWZZJBJGOOIH-UHFFFAOYSA-N 1 0 376.254 2.049 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877018516 653460252 /nfs/dbraw/zinc/46/02/52/653460252.db2.gz OIZILMXONGYOSJ-IUCAKERBSA-N 1 0 383.212 2.090 20 0 GEADRO COC(=O)c1ccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Br ZINC000877022042 653460855 /nfs/dbraw/zinc/46/08/55/653460855.db2.gz NHGJUGLMAHRRGN-KGLIPLIRSA-N 1 0 383.286 2.189 20 0 GEADRO COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H](C)N2CCOCC2)cc1Br ZINC000877025287 653461475 /nfs/dbraw/zinc/46/14/75/653461475.db2.gz GBIRJNJPBJEITQ-CHWSQXEVSA-N 1 0 385.302 2.435 20 0 GEADRO O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031329 653462169 /nfs/dbraw/zinc/46/21/69/653462169.db2.gz VEUNCQYCEFVECX-KVIBHRHWSA-N 1 0 392.297 2.203 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cc2c(ccnc2Cl)o1)NC[C@H]1CCCCO1 ZINC000877047411 653463326 /nfs/dbraw/zinc/46/33/26/653463326.db2.gz YZDAIGLZMMTCKM-GFCCVEGCSA-N 1 0 387.889 2.059 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cc2c(ccnc2Cl)o1)NC[C@@H]1CCCCO1 ZINC000877047412 653463378 /nfs/dbraw/zinc/46/33/78/653463378.db2.gz YZDAIGLZMMTCKM-LBPRGKRZSA-N 1 0 387.889 2.059 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000877101923 653466017 /nfs/dbraw/zinc/46/60/17/653466017.db2.gz UWHIUMMXMQKWTF-KGLIPLIRSA-N 1 0 396.329 2.415 20 0 GEADRO CCNS(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000779102312 653466551 /nfs/dbraw/zinc/46/65/51/653466551.db2.gz JPFJVXFCEPVFRL-CABCVRRESA-N 1 0 391.331 2.198 20 0 GEADRO [NH3+][C@@H]1CCCCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000877126379 653467430 /nfs/dbraw/zinc/46/74/30/653467430.db2.gz JICOGZYAHGTBJT-CYBMUJFWSA-N 1 0 385.917 2.223 20 0 GEADRO COC(=O)c1csc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000877145904 653468352 /nfs/dbraw/zinc/46/83/52/653468352.db2.gz LSZBOAFNPJXYAJ-CQSZACIVSA-N 1 0 377.388 2.198 20 0 GEADRO CSCCNC(=S)C(C(=O)c1nccs1)[n+]1ccc(N(C)C)cc1 ZINC000779202459 653469008 /nfs/dbraw/zinc/46/90/08/653469008.db2.gz BIIQJWLADOCGEK-UHFFFAOYSA-O 1 0 381.572 2.140 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cccn3c(I)cnc23)CC1 ZINC000877179746 653470495 /nfs/dbraw/zinc/47/04/95/653470495.db2.gz IJTCSBGEPDOUEX-XYPYZODXSA-N 1 0 398.248 2.186 20 0 GEADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1cc(Br)cnc1F ZINC000877199622 653471899 /nfs/dbraw/zinc/47/18/99/653471899.db2.gz XXLZSLXEPGRGMS-UHFFFAOYSA-N 1 0 380.221 2.040 20 0 GEADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(Br)cn1 ZINC000877247250 653472698 /nfs/dbraw/zinc/47/26/98/653472698.db2.gz GBYVMPASGCMOIU-AWEZNQCLSA-N 1 0 378.274 2.204 20 0 GEADRO COc1ccc([C@@H]2CN(C(=O)c3cncc(Br)c3)C[C@H]2[NH3+])cc1 ZINC000877236862 653472773 /nfs/dbraw/zinc/47/27/73/653472773.db2.gz KIRGESBQDNHSOR-JKSUJKDBSA-N 1 0 376.254 2.420 20 0 GEADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000877264947 653473591 /nfs/dbraw/zinc/47/35/91/653473591.db2.gz CRJFRSKQAPXIDR-LLVKDONJSA-N 1 0 379.096 2.429 20 0 GEADRO O=C(/C=C\c1ccc(I)o1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000877266785 653474065 /nfs/dbraw/zinc/47/40/65/653474065.db2.gz SIXIXJVPJHALNY-DMBZQDCGSA-N 1 0 386.233 2.498 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC[N@@H+]1C ZINC000859559736 653474430 /nfs/dbraw/zinc/47/44/30/653474430.db2.gz GEZIJVPZKNOPFA-DGCLKSJQSA-N 1 0 393.285 2.464 20 0 GEADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280798 653474432 /nfs/dbraw/zinc/47/44/32/653474432.db2.gz XROSJQRGWIAMGZ-ZFWWWQNUSA-N 1 0 376.254 2.257 20 0 GEADRO Cc1cc([C@H]([NH3+])CC(=O)NCCn2ccc(C(F)(F)F)n2)cc(Cl)n1 ZINC000877313223 653475555 /nfs/dbraw/zinc/47/55/55/653475555.db2.gz VNLIFNODQYPBTL-LLVKDONJSA-N 1 0 375.782 2.465 20 0 GEADRO COC(=O)[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000877304518 653475562 /nfs/dbraw/zinc/47/55/62/653475562.db2.gz ZXUNALXMELFWJJ-TZMCWYRMSA-N 1 0 376.400 2.131 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1Br ZINC000877334352 653477150 /nfs/dbraw/zinc/47/71/50/653477150.db2.gz PCHUQAVREYGOBZ-NSHDSACASA-N 1 0 385.306 2.184 20 0 GEADRO COc1ccc(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Br ZINC000877337068 653477713 /nfs/dbraw/zinc/47/77/13/653477713.db2.gz WYBKYKHWLMXQCA-CYBMUJFWSA-N 1 0 383.286 2.346 20 0 GEADRO CC(C)n1ncc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000877353299 653478026 /nfs/dbraw/zinc/47/80/26/653478026.db2.gz PNEIXQKFNKXGRW-WPRPVWTQSA-N 1 0 383.212 2.436 20 0 GEADRO CCCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877366412 653478850 /nfs/dbraw/zinc/47/88/50/653478850.db2.gz IXLMCXAYHMZOEX-YPMHNXCESA-N 1 0 378.416 2.080 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000877367042 653479476 /nfs/dbraw/zinc/47/94/76/653479476.db2.gz MLTCAEBDAMEDRT-UWVGGRQHSA-N 1 0 398.212 2.319 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)COc2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000877371979 653480118 /nfs/dbraw/zinc/48/01/18/653480118.db2.gz XXNRRTCCZREAKO-SKDRFNHKSA-N 1 0 381.192 2.424 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000877377222 653484050 /nfs/dbraw/zinc/48/40/50/653484050.db2.gz ZCESQYAGJSGSNM-YVEFUNNKSA-N 1 0 375.270 2.316 20 0 GEADRO COc1ccc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c(I)c1 ZINC000877395305 653492870 /nfs/dbraw/zinc/49/28/70/653492870.db2.gz XDSKEHOXZQMMSX-UKRRQHHQSA-N 1 0 386.233 2.314 20 0 GEADRO Cc1c(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)nnn1-c1cccc(Br)c1 ZINC000877393334 653493111 /nfs/dbraw/zinc/49/31/11/653493111.db2.gz PNSDFNUGZNORFH-YOEHRIQHSA-N 1 0 390.285 2.353 20 0 GEADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877395588 653496210 /nfs/dbraw/zinc/49/62/10/653496210.db2.gz KOHMMQWKMLERDR-WMLDXEAASA-N 1 0 398.276 2.109 20 0 GEADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cn(-c2ccccc2Br)nn1 ZINC000877396424 653499912 /nfs/dbraw/zinc/49/99/12/653499912.db2.gz WURXGURXOXOATR-HOCLYGCPSA-N 1 0 376.258 2.044 20 0 GEADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cn(-c2ccccc2Br)nn1 ZINC000877396422 653502214 /nfs/dbraw/zinc/50/22/14/653502214.db2.gz WURXGURXOXOATR-GDBMZVCRSA-N 1 0 376.258 2.044 20 0 GEADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000877395881 653504028 /nfs/dbraw/zinc/50/40/28/653504028.db2.gz OOWIIAAPSGGEBB-QITLCBANSA-N 1 0 392.297 2.203 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877396047 653504410 /nfs/dbraw/zinc/50/44/10/653504410.db2.gz RNSQUPNTSJRMEU-ISOBSLSZSA-N 1 0 386.315 2.030 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000877441685 653518630 /nfs/dbraw/zinc/51/86/30/653518630.db2.gz OVYCJKNTGNNHJA-OAHLLOKOSA-N 1 0 387.571 2.269 20 0 GEADRO O=S1(=O)CCC(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000877477170 653525927 /nfs/dbraw/zinc/52/59/27/653525927.db2.gz ZEQDLFAZLCZQJL-OAHLLOKOSA-N 1 0 390.343 2.015 20 0 GEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(Br)cs1 ZINC000779803959 653611208 /nfs/dbraw/zinc/61/12/08/653611208.db2.gz MYAIACMHIRIEPX-INIZCTEOSA-N 1 0 396.310 2.272 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2nc(Br)cs2)C1 ZINC000779803644 653611394 /nfs/dbraw/zinc/61/13/94/653611394.db2.gz REAOTMTWLMQOIU-LLVKDONJSA-N 1 0 376.320 2.479 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCCCN2CCO)cc1Br ZINC000877559119 653611862 /nfs/dbraw/zinc/61/18/62/653611862.db2.gz RMEWZZXSOLVABF-CQSZACIVSA-N 1 0 385.302 2.172 20 0 GEADRO CSc1ccc([C@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)N(C)C)cc1 ZINC000877554345 653612094 /nfs/dbraw/zinc/61/20/94/653612094.db2.gz IWJZEKLCPXPRDF-SFHVURJKSA-N 1 0 379.551 2.448 20 0 GEADRO C[C@H]1CN(C(=O)c2nc(Br)cs2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000779830687 653612010 /nfs/dbraw/zinc/61/20/10/653612010.db2.gz YUVCBSGLBSKNQL-RYUDHWBXSA-N 1 0 387.347 2.004 20 0 GEADRO COC(=O)[C@H]1CN(Cc2nc(Cl)ccc2Br)CC[N@H+](C)C1 ZINC000877587592 653613449 /nfs/dbraw/zinc/61/34/49/653613449.db2.gz NNJDBBXZNQOLQI-SNVBAGLBSA-N 1 0 376.682 2.034 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c(Cl)cc1Cl ZINC000813741317 653613915 /nfs/dbraw/zinc/61/39/15/653613915.db2.gz PBSORTDTVJFAAJ-TVQRCGJNSA-N 1 0 393.292 2.105 20 0 GEADRO NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)c1 ZINC000877657866 653615718 /nfs/dbraw/zinc/61/57/18/653615718.db2.gz KCSCKMQZKIWLDH-AWEZNQCLSA-N 1 0 383.876 2.495 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877895539 653622619 /nfs/dbraw/zinc/62/26/19/653622619.db2.gz SUVFPIDAEAERCM-CQSZACIVSA-N 1 0 377.286 2.116 20 0 GEADRO Cn1ncc(Br)c1CC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000877935410 653623728 /nfs/dbraw/zinc/62/37/28/653623728.db2.gz KVWAVRMKHUQCQJ-AWEZNQCLSA-N 1 0 379.302 2.014 20 0 GEADRO Cn1cc(I)c(C(=O)NCCC[NH+]2CCCCCC2)n1 ZINC000877937718 653623861 /nfs/dbraw/zinc/62/38/61/653623861.db2.gz PWFNGTMJHZXIDA-UHFFFAOYSA-N 1 0 390.269 2.021 20 0 GEADRO CC(C)(C)n1cc(C(=O)NCCCC[NH+]2CCOCC2)c(Br)n1 ZINC000780379140 653624927 /nfs/dbraw/zinc/62/49/27/653624927.db2.gz UNZKHXXMODMNAV-UHFFFAOYSA-N 1 0 387.322 2.243 20 0 GEADRO O=C(NCCSCc1ccnc(Cl)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000838547640 653624891 /nfs/dbraw/zinc/62/48/91/653624891.db2.gz LGVNBLVTGAYUKV-OAHLLOKOSA-N 1 0 386.949 2.114 20 0 GEADRO O[C@H](CN1CC[NH+](CCc2cccs2)CC1)c1cc(Br)no1 ZINC000877992473 653625305 /nfs/dbraw/zinc/62/53/05/653625305.db2.gz LIEYSXJZWMWNLN-CYBMUJFWSA-N 1 0 386.315 2.392 20 0 GEADRO C[C@@H]1CN(Cn2c(=O)oc3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000780504067 653626951 /nfs/dbraw/zinc/62/69/51/653626951.db2.gz OMASXBZRQZLMJX-GFCCVEGCSA-N 1 0 398.301 2.092 20 0 GEADRO CN(C(=O)NC[C@@]1(C)CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000838662591 653627437 /nfs/dbraw/zinc/62/74/37/653627437.db2.gz FIEKESVONRDXFZ-GOEBONIOSA-N 1 0 377.360 2.380 20 0 GEADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000814385607 653628871 /nfs/dbraw/zinc/62/88/71/653628871.db2.gz HSFRTDRAOROGHF-GFCCVEGCSA-N 1 0 384.889 2.229 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCC[C@]3(C)CC3(Cl)Cl)CC2)C1 ZINC000838686361 653629059 /nfs/dbraw/zinc/62/90/59/653629059.db2.gz LNKUNTDNINRIRI-GDBMZVCRSA-N 1 0 377.360 2.382 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c3nonc32)CC[N@@H+](C2CCC2)C1 ZINC000814394351 653630082 /nfs/dbraw/zinc/63/00/82/653630082.db2.gz YZJIDRBPHWVOEQ-NSHDSACASA-N 1 0 384.889 2.371 20 0 GEADRO C[C@H](Sc1nc(CC(=O)Nc2ccccc2C[NH+](C)C)cs1)C(N)=O ZINC000878205711 653631495 /nfs/dbraw/zinc/63/14/95/653631495.db2.gz KDMKNZJRVBVETM-NSHDSACASA-N 1 0 378.523 2.352 20 0 GEADRO Cn1cc(Br)c(C(=O)N(CCc2ccccc2)CC[NH+](C)C)n1 ZINC000814549087 653635130 /nfs/dbraw/zinc/63/51/30/653635130.db2.gz IKFXXHFCDAWMHG-UHFFFAOYSA-N 1 0 379.302 2.429 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc2c(c1)CC(=O)N2C ZINC000878361959 653635818 /nfs/dbraw/zinc/63/58/18/653635818.db2.gz ZMMMEFKPZYZRKY-ZANVPECISA-N 1 0 380.242 2.340 20 0 GEADRO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2c(Br)cnn2C)c1 ZINC000878381258 653636247 /nfs/dbraw/zinc/63/62/47/653636247.db2.gz TVWKDXBRSMWFIL-UHFFFAOYSA-N 1 0 379.302 2.493 20 0 GEADRO CC(C)C[C@H](NC(=O)c1cc(Cl)ncc1Cl)C(=O)NCC[NH+](C)C ZINC000780974916 653636643 /nfs/dbraw/zinc/63/66/43/653636643.db2.gz UYODRLACUJAMOV-ZDUSSCGKSA-N 1 0 375.300 2.211 20 0 GEADRO C[C@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000878403047 653636809 /nfs/dbraw/zinc/63/68/09/653636809.db2.gz MCVWKWXHLNBDSS-ZDUSSCGKSA-N 1 0 376.544 2.312 20 0 GEADRO COC(=O)c1csc(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000814787979 653639209 /nfs/dbraw/zinc/63/92/09/653639209.db2.gz WVMBPQFAUCHBJQ-CQSZACIVSA-N 1 0 379.507 2.441 20 0 GEADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)CC1(O)CCCC1 ZINC000878509894 653639319 /nfs/dbraw/zinc/63/93/19/653639319.db2.gz YBTKOWSQIIITBW-CYBMUJFWSA-N 1 0 378.332 2.361 20 0 GEADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878522846 653640209 /nfs/dbraw/zinc/64/02/09/653640209.db2.gz UASSMNZZRRREAB-QEORTHHSSA-N 1 0 378.296 2.373 20 0 GEADRO C[NH+]1CCC(NC(=O)CN[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000878557348 653640813 /nfs/dbraw/zinc/64/08/13/653640813.db2.gz SSROMHQTQDQXBH-OAHLLOKOSA-N 1 0 382.302 2.073 20 0 GEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000861012377 653643217 /nfs/dbraw/zinc/64/32/17/653643217.db2.gz WIFFWPSASAUXDL-RYQLBKOJSA-N 1 0 381.314 2.255 20 0 GEADRO CC[N@@H+](Cc1cn(C)nn1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000781579993 653644807 /nfs/dbraw/zinc/64/48/07/653644807.db2.gz PUVXFXISFMQYTO-UHFFFAOYSA-N 1 0 376.258 2.372 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1cn2c(Br)cnc2s1 ZINC000815026908 653645330 /nfs/dbraw/zinc/64/53/30/653645330.db2.gz KXPNJYKWVYJXGB-UHFFFAOYSA-N 1 0 387.303 2.001 20 0 GEADRO CC[NH+](CC)CCN(C(=S)N[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000839416292 653648856 /nfs/dbraw/zinc/64/88/56/653648856.db2.gz IAAINLTZJAMAPW-IXDOHACOSA-N 1 0 389.631 2.271 20 0 GEADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000815070508 653649676 /nfs/dbraw/zinc/64/96/76/653649676.db2.gz SGBOIXZBXVCCQF-UHFFFAOYSA-N 1 0 389.905 2.066 20 0 GEADRO C[NH+](C)C1CC(NC(=O)c2cc(Br)ncc2Br)C1 ZINC000879871885 653684975 /nfs/dbraw/zinc/68/49/75/653684975.db2.gz CALJNUBXRVSQPC-UHFFFAOYSA-N 1 0 377.080 2.429 20 0 GEADRO C[C@H]1CN(C[C@](C)(O)c2ccc(Br)cc2Cl)CC[N@@H+]1CCO ZINC000815096899 653651604 /nfs/dbraw/zinc/65/16/04/653651604.db2.gz XEQYWHKJFYNXAC-LRDDRELGSA-N 1 0 391.737 2.308 20 0 GEADRO C[C@@](O)(CN1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Br)cc1F ZINC000815099678 653651919 /nfs/dbraw/zinc/65/19/19/653651919.db2.gz XXWUAWNXPSTXHI-QGZVFWFLSA-N 1 0 389.309 2.184 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000781932006 653652092 /nfs/dbraw/zinc/65/20/92/653652092.db2.gz LVHLLOKXMVDUTO-MRXNPFEDSA-N 1 0 397.313 2.457 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cnn(C)c3Cl)CC2)cc1 ZINC000815115491 653652743 /nfs/dbraw/zinc/65/27/43/653652743.db2.gz STMAOTSMHYTRNY-UHFFFAOYSA-N 1 0 382.917 2.325 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2cc(C)cc(Cl)c2)c1 ZINC000815123796 653652904 /nfs/dbraw/zinc/65/29/04/653652904.db2.gz PEEXCZJCWKKGMT-UHFFFAOYSA-N 1 0 381.885 2.285 20 0 GEADRO O=C1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)C(=O)N1 ZINC000815124854 653653047 /nfs/dbraw/zinc/65/30/47/653653047.db2.gz MPPUHYLQFVQDCT-AWEZNQCLSA-N 1 0 399.260 2.075 20 0 GEADRO CC[C@@H](Sc1nc(CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cs1)C(N)=O ZINC000878956118 653653264 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Cc1nnc(Sc2ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c(C)c2)s1 ZINC000861539211 653661106 /nfs/dbraw/zinc/66/11/06/653661106.db2.gz BZEVGEANCIKKDA-JTQLQIEISA-N 1 0 379.511 2.050 20 0 GEADRO Cn1nc(C(F)(F)F)c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1Cl ZINC000782484628 653662369 /nfs/dbraw/zinc/66/23/69/653662369.db2.gz CMLIPHYIDVEHHW-LBPRGKRZSA-N 1 0 379.858 2.304 20 0 GEADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Nc1cccc(Br)n1 ZINC000879202423 653662652 /nfs/dbraw/zinc/66/26/52/653662652.db2.gz FESDIXPYSZPFNT-UHFFFAOYSA-N 1 0 383.290 2.420 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000879242663 653663586 /nfs/dbraw/zinc/66/35/86/653663586.db2.gz RIKOGUZJHRHLRF-DOMZBBRYSA-N 1 0 381.318 2.200 20 0 GEADRO Cc1ccc(/C=C/C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(Br)c1 ZINC000861710786 653665086 /nfs/dbraw/zinc/66/50/86/653665086.db2.gz REKYPJRAMGQKTK-SWJNODNISA-N 1 0 379.298 2.438 20 0 GEADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)C(F)(F)c1ccccc1Br ZINC000861716321 653665431 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Cc1c(Br)nccc1NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000879661146 653677651 /nfs/dbraw/zinc/67/76/51/653677651.db2.gz ZZPNJFDADOLYGL-UHFFFAOYSA-N 1 0 396.333 2.396 20 0 GEADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000840174882 653678274 /nfs/dbraw/zinc/67/82/74/653678274.db2.gz PFFAUWXENVTWML-CQSZACIVSA-N 1 0 392.301 2.384 20 0 GEADRO CC(C)n1ccc(C[C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)n1 ZINC000783522518 653680072 /nfs/dbraw/zinc/68/00/72/653680072.db2.gz PAXBVONGQBGWAS-CYBMUJFWSA-N 1 0 378.489 2.249 20 0 GEADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000840222121 653680559 /nfs/dbraw/zinc/68/05/59/653680559.db2.gz XWIRBXXFAVTVEF-NSHDSACASA-N 1 0 380.919 2.097 20 0 GEADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000862368070 653684538 /nfs/dbraw/zinc/68/45/38/653684538.db2.gz CGBSYVHHQMJFRI-STQMWFEESA-N 1 0 382.473 2.046 20 0 GEADRO CNC(=O)[C@H](CCSC)[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862368446 653684658 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Cn1nc(Br)cc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000784300540 653691504 /nfs/dbraw/zinc/69/15/04/653691504.db2.gz RTOSMBWBZOVQRJ-CYBMUJFWSA-N 1 0 379.306 2.330 20 0 GEADRO CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)cc1 ZINC000862648673 653691694 /nfs/dbraw/zinc/69/16/94/653691694.db2.gz BNCKSUVRXXJYES-CVEARBPZSA-N 1 0 396.329 2.399 20 0 GEADRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccn(C)n1 ZINC000840733518 653692212 /nfs/dbraw/zinc/69/22/12/653692212.db2.gz UPEGPTWDQLEPDY-LLVKDONJSA-N 1 0 377.388 2.443 20 0 GEADRO Cn1cc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c(Br)n1 ZINC000880039175 653693249 /nfs/dbraw/zinc/69/32/49/653693249.db2.gz ULHRNXMTLPMNGV-CYBMUJFWSA-N 1 0 380.290 2.477 20 0 GEADRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Br)nc1 ZINC000840779904 653693757 /nfs/dbraw/zinc/69/37/57/653693757.db2.gz GGUDTBLNTFHAMN-AWEZNQCLSA-N 1 0 384.318 2.376 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)C1 ZINC000816883599 653695129 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C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)C1CC1 ZINC000840881734 653697332 /nfs/dbraw/zinc/69/73/32/653697332.db2.gz KPTWFIMUSSMSKO-NSHDSACASA-N 1 0 389.315 2.333 20 0 GEADRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000840882561 653697478 /nfs/dbraw/zinc/69/74/78/653697478.db2.gz PKELNDUAUYFTDP-HNNXBMFYSA-N 1 0 399.310 2.228 20 0 GEADRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000840890427 653697981 /nfs/dbraw/zinc/69/79/81/653697981.db2.gz MNXJSNJEJOFPGU-LLVKDONJSA-N 1 0 399.481 2.167 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccc(I)cc1 ZINC000880134396 653699042 /nfs/dbraw/zinc/69/90/42/653699042.db2.gz MEMVXWHMCWYQOW-LSDHHAIUSA-N 1 0 399.276 2.398 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cnc(Br)cc1C ZINC000784821861 653699769 /nfs/dbraw/zinc/69/97/69/653699769.db2.gz RGKPKERRGOPCCY-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880204012 653700477 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C[C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC[NH2+]1 ZINC000841131726 653707094 /nfs/dbraw/zinc/70/70/94/653707094.db2.gz NFYYXRHVHLZWNI-YPMHNXCESA-N 1 0 389.905 2.025 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000841159824 653708394 /nfs/dbraw/zinc/70/83/94/653708394.db2.gz NDDNNEGJLFGLIV-LLVKDONJSA-N 1 0 391.269 2.133 20 0 GEADRO O=C(Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000841156175 653708422 /nfs/dbraw/zinc/70/84/22/653708422.db2.gz GNNOVTVBIHHSHN-QWRGUYRKSA-N 1 0 388.320 2.389 20 0 GEADRO O[C@@H]1C[N@H+](Cc2cn3cc(Br)ccc3n2)CC2(CCOCC2)C1 ZINC000880589527 653708520 /nfs/dbraw/zinc/70/85/20/653708520.db2.gz UOSUCQFKEGVSBX-HNNXBMFYSA-N 1 0 380.286 2.460 20 0 GEADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]CCn1cnc(Br)n1)C(F)(F)F ZINC000880600345 653708715 /nfs/dbraw/zinc/70/87/15/653708715.db2.gz LWXGHWGSLHQVOR-NWDGAFQWSA-N 1 0 393.207 2.165 20 0 GEADRO C[N@@H+]1CCN(C(=O)c2cccnc2I)C[C@H]1C(C)(C)C ZINC000880613280 653708966 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Cc1cnc(Br)cc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000841196989 653710058 /nfs/dbraw/zinc/71/00/58/653710058.db2.gz QAOMQTNVKLDUHY-LBPRGKRZSA-N 1 0 383.290 2.372 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)[C@@H](C)C[NH2+]1 ZINC000841206420 653710401 /nfs/dbraw/zinc/71/04/01/653710401.db2.gz JTJYMUBPUWVIEK-MNOVXSKESA-N 1 0 391.269 2.145 20 0 GEADRO CCN1CCC([N@@H+]2CCCN(Cc3cc(Br)nn3C)CC2)CC1 ZINC000817413786 653710784 /nfs/dbraw/zinc/71/07/84/653710784.db2.gz JIBPZYPGYBIXOH-UHFFFAOYSA-N 1 0 384.366 2.175 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000841225287 653710893 /nfs/dbraw/zinc/71/08/93/653710893.db2.gz MHWAUXKNMNNALC-UHFFFAOYSA-N 1 0 395.301 2.083 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)cnc(Cl)c1Br ZINC000841221293 653710922 /nfs/dbraw/zinc/71/09/22/653710922.db2.gz ZFQBBIVYEAZBBT-VIFPVBQESA-N 1 0 389.681 2.003 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cnc(Cl)c1Br ZINC000841225834 653711072 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CC(C)(O)C[NH+]1CCN(C(=O)Nc2c3c(ccc2Br)OCC3)CC1 ZINC000880800693 653714147 /nfs/dbraw/zinc/71/41/47/653714147.db2.gz AZUVKYPPWWOKJV-UHFFFAOYSA-N 1 0 398.301 2.304 20 0 GEADRO CS[C@@H]1CN(C(=O)/C(=C\c2cccs2)NC(C)=O)C[C@@H]1[NH+]1CCCC1 ZINC000817559884 653714244 /nfs/dbraw/zinc/71/42/44/653714244.db2.gz FASGZGCFDBWFLN-UTZIXYHNSA-N 1 0 379.551 2.263 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C2CCN(OC)CC2)ccc1S(=O)(=O)C(F)F ZINC000817587777 653715008 /nfs/dbraw/zinc/71/50/08/653715008.db2.gz HPJURMNPDZAACC-LLVKDONJSA-N 1 0 378.441 2.368 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)C2SCCCS2)CC1 ZINC000841394216 653715177 /nfs/dbraw/zinc/71/51/77/653715177.db2.gz XWPXXOZEFHRMSS-UHFFFAOYSA-N 1 0 385.599 2.023 20 0 GEADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccccc2Br)CC1 ZINC000863549443 653715417 /nfs/dbraw/zinc/71/54/17/653715417.db2.gz DDGDJBOZVKTJHM-CVEARBPZSA-N 1 0 380.286 2.206 20 0 GEADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccc(Br)s2)CC1 ZINC000863550550 653715606 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Cn1cc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c(I)n1 ZINC000864051226 653724815 /nfs/dbraw/zinc/72/48/15/653724815.db2.gz DITWAXZEWCNMMU-ZDUSSCGKSA-N 1 0 375.254 2.320 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCCc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000817766397 653718966 /nfs/dbraw/zinc/71/89/66/653718966.db2.gz GHTSMSZFIDUSDQ-AWEZNQCLSA-N 1 0 396.329 2.098 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000817766268 653719086 /nfs/dbraw/zinc/71/90/86/653719086.db2.gz CGYCXNBSPHQSBN-AWEZNQCLSA-N 1 0 396.329 2.364 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2c1cccc2Br ZINC000817773612 653719197 /nfs/dbraw/zinc/71/91/97/653719197.db2.gz HENPZJRLWCTWCD-CHWSQXEVSA-N 1 0 380.286 2.384 20 0 GEADRO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(C(F)(F)F)nc1Cl ZINC000817861721 653721276 /nfs/dbraw/zinc/72/12/76/653721276.db2.gz GUXLQBXOJKPIER-JQWIXIFHSA-N 1 0 376.810 2.321 20 0 GEADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccnc1I)C2 ZINC000863920919 653722316 /nfs/dbraw/zinc/72/23/16/653722316.db2.gz OPJIFOYEEZGKCC-HNNXBMFYSA-N 1 0 385.249 2.244 20 0 GEADRO O=C(/C=C/c1ccc(Br)o1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000818002677 653723491 /nfs/dbraw/zinc/72/34/91/653723491.db2.gz CEAZCYFCPDDOFQ-SOFGYWHQSA-N 1 0 382.302 2.388 20 0 GEADRO C[C@@H]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000818007814 653723715 /nfs/dbraw/zinc/72/37/15/653723715.db2.gz AGZSWJBAOCNPES-DGCLKSJQSA-N 1 0 379.917 2.331 20 0 GEADRO C[C@@H]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)C[C@@H]1C[NH3+] ZINC000818009725 653723727 /nfs/dbraw/zinc/72/37/27/653723727.db2.gz ZGMYUWXQVPMBIM-NEPJUHHUSA-N 1 0 378.274 2.087 20 0 GEADRO C[NH2+]CCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000818014280 653723883 /nfs/dbraw/zinc/72/38/83/653723883.db2.gz CPHQRUMMGBQEHL-UHFFFAOYSA-N 1 0 387.933 2.196 20 0 GEADRO Cn1c(C(=O)NC[C@H]2C[NH2+]CCO2)ccc1-c1ccccc1Br ZINC000818011624 653723911 /nfs/dbraw/zinc/72/39/11/653723911.db2.gz JYFCUNXZEJDUCS-GFCCVEGCSA-N 1 0 378.270 2.173 20 0 GEADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cn(-c3ccccc3Br)nn2)C[C@H]1C[NH3+] ZINC000818023218 653724043 /nfs/dbraw/zinc/72/40/43/653724043.db2.gz IAQIEAZTCZLQIX-JHJVBQTASA-N 1 0 392.301 2.475 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cn4c(Br)cnc4s3)[C@H]2C1 ZINC000818038296 653724231 /nfs/dbraw/zinc/72/42/31/653724231.db2.gz BQRHGPURXZBLHO-WDEREUQCSA-N 1 0 399.314 2.094 20 0 GEADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cn(C(C)(C)C)nc3Br)[C@H]2C1 ZINC000818039259 653724234 /nfs/dbraw/zinc/72/42/34/653724234.db2.gz VOITZPFTUKHQME-UONOGXRCSA-N 1 0 399.333 2.336 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000864053705 653725021 /nfs/dbraw/zinc/72/50/21/653725021.db2.gz MVIVXCGHLHUFNF-SMDDNHRTSA-N 1 0 375.254 2.320 20 0 GEADRO C[C@@H]([NH3+])c1cn(C[C@@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000881410055 653730003 /nfs/dbraw/zinc/73/00/03/653730003.db2.gz DRMNNUVFTCUPKO-PSASIEDQSA-N 1 0 375.654 2.154 20 0 GEADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ncc(Br)cn1 ZINC000786993838 653732518 /nfs/dbraw/zinc/73/25/18/653732518.db2.gz BTMCXAXLSNZCTG-UHFFFAOYSA-N 1 0 376.258 2.029 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+]CC2(C)C)c1 ZINC000818524644 653732729 /nfs/dbraw/zinc/73/27/29/653732729.db2.gz OBLOLPLOLZCPEN-UHFFFAOYSA-N 1 0 387.933 2.193 20 0 GEADRO CN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C1CCC([NH3+])CC1 ZINC000818529523 653733078 /nfs/dbraw/zinc/73/30/78/653733078.db2.gz LIYHYMICEPNMMC-NRXISQOPSA-N 1 0 385.555 2.020 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000818532463 653733205 /nfs/dbraw/zinc/73/32/05/653733205.db2.gz DEJGHXJMRGYRNR-ZDUSSCGKSA-N 1 0 387.933 2.324 20 0 GEADRO CCCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@H]1CC[NH2+]C1 ZINC000818544857 653733225 /nfs/dbraw/zinc/73/32/25/653733225.db2.gz RAWWPCDNXBCZJK-LBPRGKRZSA-N 1 0 378.274 2.244 20 0 GEADRO O=C(c1cn(-c2ccccc2Br)nn1)N(C1CC1)C1CC[NH2+]CC1 ZINC000818559591 653733378 /nfs/dbraw/zinc/73/33/78/653733378.db2.gz ATBXQCSOZIGGRB-UHFFFAOYSA-N 1 0 390.285 2.386 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000818559902 653733435 /nfs/dbraw/zinc/73/34/35/653733435.db2.gz SYMWFNPUGVMQCD-FZMZJTMJSA-N 1 0 378.274 2.372 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000818559901 653733478 /nfs/dbraw/zinc/73/34/78/653733478.db2.gz SYMWFNPUGVMQCD-BXUZGUMPSA-N 1 0 378.274 2.372 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000818559674 653733498 /nfs/dbraw/zinc/73/34/98/653733498.db2.gz GWYDWBJGIWZZBG-UHFFFAOYSA-N 1 0 387.933 2.098 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cn(-c2ccccc2Br)nn1 ZINC000818594954 653734410 /nfs/dbraw/zinc/73/44/10/653734410.db2.gz RAIPNHLTCAOGMM-GFCCVEGCSA-N 1 0 378.274 2.292 20 0 GEADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000818609942 653734779 /nfs/dbraw/zinc/73/47/79/653734779.db2.gz RQKSUVHOMPDPNA-LLVKDONJSA-N 1 0 386.246 2.335 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000818614228 653734861 /nfs/dbraw/zinc/73/48/61/653734861.db2.gz WMZZKACINYHMEQ-UHFFFAOYSA-N 1 0 378.466 2.350 20 0 GEADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)s1 ZINC000818948550 653739023 /nfs/dbraw/zinc/73/90/23/653739023.db2.gz QVNXZQIVAFPXCR-CYBMUJFWSA-N 1 0 378.878 2.272 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000787509447 653739100 /nfs/dbraw/zinc/73/91/00/653739100.db2.gz PQARUJQDORONEY-VIFPVBQESA-N 1 0 390.228 2.266 20 0 GEADRO O=c1n(CCC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)nc2n1CCCC2 ZINC000818963856 653739391 /nfs/dbraw/zinc/73/93/91/653739391.db2.gz CIZDTVLVXQCRRW-OAHLLOKOSA-N 1 0 385.295 2.401 20 0 GEADRO CCS(=O)(=O)CC[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000818974120 653739727 /nfs/dbraw/zinc/73/97/27/653739727.db2.gz FBUZTQJWZYTDBA-CYBMUJFWSA-N 1 0 375.332 2.300 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc(Br)cc1=O)c1cccs1 ZINC000864515468 653740104 /nfs/dbraw/zinc/74/01/04/653740104.db2.gz SZRRNSFAYCEHIX-LBPRGKRZSA-N 1 0 384.299 2.091 20 0 GEADRO C[C@](O)(C[NH2+]CCN1CCOC(C)(C)C1)c1ccc(Br)cc1F ZINC000818991450 653740191 /nfs/dbraw/zinc/74/01/91/653740191.db2.gz DFOGQUSFLWAFDL-KRWDZBQOSA-N 1 0 389.309 2.496 20 0 GEADRO Cn1nc(I)cc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000864525514 653740453 /nfs/dbraw/zinc/74/04/53/653740453.db2.gz CLYLELNDJIQVKL-UHFFFAOYSA-N 1 0 390.269 2.019 20 0 GEADRO C[C@H]([C@H](C)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)N1CCOCC1 ZINC000819020797 653740860 /nfs/dbraw/zinc/74/08/60/653740860.db2.gz MEYZYFKMNKEMJI-OZVIIMIRSA-N 1 0 375.282 2.320 20 0 GEADRO C[C@@H]1COCCN1CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819016751 653740966 /nfs/dbraw/zinc/74/09/66/653740966.db2.gz ANACRZVKHJRWRR-WBMJQRKESA-N 1 0 375.282 2.106 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@@H]1CCCNC1=O)c1ccc(Br)cc1Cl ZINC000819040450 653741238 /nfs/dbraw/zinc/74/12/38/653741238.db2.gz YRICCYGTOQFIFF-ZUZCIYMTSA-N 1 0 375.694 2.426 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(I)nn1C ZINC000864571417 653741388 /nfs/dbraw/zinc/74/13/88/653741388.db2.gz CMMRNOPVEWHDFX-LLVKDONJSA-N 1 0 390.269 2.019 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC1)C(F)(F)F ZINC000819055639 653741847 /nfs/dbraw/zinc/74/18/47/653741847.db2.gz SERQVXRSKVRZMP-CQSZACIVSA-N 1 0 384.395 2.010 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000819058162 653741978 /nfs/dbraw/zinc/74/19/78/653741978.db2.gz ADWNTBOVZUPEQG-AWEZNQCLSA-N 1 0 382.860 2.227 20 0 GEADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000819059220 653742144 /nfs/dbraw/zinc/74/21/44/653742144.db2.gz JFQDOWHBQMMAET-CZUORRHYSA-N 1 0 376.469 2.005 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000864621211 653742289 /nfs/dbraw/zinc/74/22/89/653742289.db2.gz WRJAHKBWPKGYJI-INIZCTEOSA-N 1 0 380.290 2.329 20 0 GEADRO CO[C@H](C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)CC(C)C ZINC000841888616 653742350 /nfs/dbraw/zinc/74/23/50/653742350.db2.gz NEBPUQACVPKOAF-KGLIPLIRSA-N 1 0 377.938 2.355 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1Br ZINC000864630595 653742542 /nfs/dbraw/zinc/74/25/42/653742542.db2.gz KYEWZYFYPDPMJQ-UHFFFAOYSA-N 1 0 398.349 2.080 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000864631027 653742562 /nfs/dbraw/zinc/74/25/62/653742562.db2.gz UBIYTUKTSCHKCJ-INIZCTEOSA-N 1 0 390.281 2.002 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)C1CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000819079126 653742565 /nfs/dbraw/zinc/74/25/65/653742565.db2.gz AGZPNYLFCGRDHV-AWEZNQCLSA-N 1 0 376.316 2.362 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@@H](C[NH3+])CC(C)C)c(Br)c1 ZINC000841953593 653742993 /nfs/dbraw/zinc/74/29/93/653742993.db2.gz JSPWPSBMIXVCHA-CYBMUJFWSA-N 1 0 386.290 2.408 20 0 GEADRO CC(C)n1ncc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000864667508 653743307 /nfs/dbraw/zinc/74/33/07/653743307.db2.gz DEQUPCVGMYOMGW-CHWSQXEVSA-N 1 0 387.322 2.456 20 0 GEADRO COc1cccc([C@H](O)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000787766886 653743598 /nfs/dbraw/zinc/74/35/98/653743598.db2.gz XFWDTBNTYRKENM-MLGOLLRUSA-N 1 0 381.270 2.331 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H](O)c1c(Cl)cccc1Cl ZINC000842009973 653743665 /nfs/dbraw/zinc/74/36/65/653743665.db2.gz GUFUAPVTPKRAOG-PGUXBMHVSA-N 1 0 376.284 2.093 20 0 GEADRO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000842014749 653743710 /nfs/dbraw/zinc/74/37/10/653743710.db2.gz VWNLCXAIIWUXPX-OCVGTWLNSA-N 1 0 382.302 2.170 20 0 GEADRO O=C(NC[C@H](O)c1ccccc1Br)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000842014612 653743714 /nfs/dbraw/zinc/74/37/14/653743714.db2.gz ICEOWXQBOGXGDB-VLXAULBPSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)[C@H](O)c1c(Cl)cccc1Cl ZINC000842009975 653743722 /nfs/dbraw/zinc/74/37/22/653743722.db2.gz GUFUAPVTPKRAOG-RWSFTLGLSA-N 1 0 376.284 2.093 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1=O ZINC000819129191 653744230 /nfs/dbraw/zinc/74/42/30/653744230.db2.gz CVXOBKUZYYVYII-SEHCQNQUSA-N 1 0 386.279 2.337 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1=O ZINC000819129189 653744268 /nfs/dbraw/zinc/74/42/68/653744268.db2.gz CVXOBKUZYYVYII-IXBGWNDUSA-N 1 0 386.279 2.337 20 0 GEADRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000819146213 653744386 /nfs/dbraw/zinc/74/43/86/653744386.db2.gz NEQPPUCFRGSTKY-WFASDCNBSA-N 1 0 380.432 2.055 20 0 GEADRO O=S(=O)(N1CCC([NH2+]C[C@H](O)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000819145334 653744433 /nfs/dbraw/zinc/74/44/33/653744433.db2.gz DELKUFAQGVNOPQ-ZDUSSCGKSA-N 1 0 386.823 2.277 20 0 GEADRO C[C@@](O)(C[NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(Br)cc1F ZINC000819144229 653744445 /nfs/dbraw/zinc/74/44/45/653744445.db2.gz WLRJUMXPDKQLBJ-MRXNPFEDSA-N 1 0 382.233 2.079 20 0 GEADRO C[C@](O)(C[NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(Br)cc1Cl ZINC000819171272 653744923 /nfs/dbraw/zinc/74/49/23/653744923.db2.gz FYZGKKXQAYROPC-RISCZKNCSA-N 1 0 396.734 2.477 20 0 GEADRO COCCC(=O)N1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819172305 653744925 /nfs/dbraw/zinc/74/49/25/653744925.db2.gz CMRIYMUZNXHPGI-INIZCTEOSA-N 1 0 385.302 2.100 20 0 GEADRO O=Cc1cccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c1Br ZINC000842100976 653745303 /nfs/dbraw/zinc/74/53/03/653745303.db2.gz UFHKAMDIXMGLDX-UHFFFAOYSA-N 1 0 381.270 2.383 20 0 GEADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(O)c(Br)c1)C(=O)OC(C)(C)C ZINC000819176069 653745358 /nfs/dbraw/zinc/74/53/58/653745358.db2.gz HIZRBFXNTAJEHF-LBPRGKRZSA-N 1 0 389.290 2.472 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)cc2s1 ZINC000787919233 653746057 /nfs/dbraw/zinc/74/60/57/653746057.db2.gz CNVGPNBYVQMYPS-UHFFFAOYSA-N 1 0 376.507 2.263 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1COC2(CCOCC2)O1)COc1ccc(Cl)cc1Cl ZINC000819215493 653746375 /nfs/dbraw/zinc/74/63/75/653746375.db2.gz IDKKDGHGYSAMFS-KGLIPLIRSA-N 1 0 392.279 2.245 20 0 GEADRO C[C@H](CNC(=O)c1cc(I)nn1C)[N@@H+]1CCCC[C@@H]1C ZINC000864871622 653747293 /nfs/dbraw/zinc/74/72/93/653747293.db2.gz ILRNPSLFIXVGHR-WDEREUQCSA-N 1 0 390.269 2.017 20 0 GEADRO O=S(=O)(CC[C@H]1CC1(Cl)Cl)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000881900043 653748285 /nfs/dbraw/zinc/74/82/85/653748285.db2.gz KWXPNIPJTMVTQL-GXTWGEPZSA-N 1 0 385.357 2.133 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000864907380 653748332 /nfs/dbraw/zinc/74/83/32/653748332.db2.gz YIBXODKNVLHWIZ-ULQDDVLXSA-N 1 0 394.313 2.369 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)CCCC1 ZINC000819307724 653748713 /nfs/dbraw/zinc/74/87/13/653748713.db2.gz FKOVMQPEDRAFIL-CQSZACIVSA-N 1 0 376.316 2.430 20 0 GEADRO C[C@@](O)(C[NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1F ZINC000819311030 653749074 /nfs/dbraw/zinc/74/90/74/653749074.db2.gz HCGKKGJVAIKQCU-IAQYHMDHSA-N 1 0 394.306 2.210 20 0 GEADRO C[C@@]1(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)OCCc2sccc21 ZINC000819322040 653749197 /nfs/dbraw/zinc/74/91/97/653749197.db2.gz PNXMMKAXEOJJDP-WMZOPIPTSA-N 1 0 381.519 2.263 20 0 GEADRO C[C@](O)(C[NH2+]CCS(=O)(=O)C1CC1)c1ccc(Br)cc1Cl ZINC000819368600 653749796 /nfs/dbraw/zinc/74/97/96/653749796.db2.gz IWICQUICXQGGBY-AWEZNQCLSA-N 1 0 396.734 2.477 20 0 GEADRO CN1C(=O)CC[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819382603 653749964 /nfs/dbraw/zinc/74/99/64/653749964.db2.gz BKJHTPMTYIUZBM-WFASDCNBSA-N 1 0 389.677 2.047 20 0 GEADRO CC[NH+]1CCC(CNC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000864994227 653750638 /nfs/dbraw/zinc/75/06/38/653750638.db2.gz DNPHZWWWUOKEQX-KRWDZBQOSA-N 1 0 396.329 2.474 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C[C@H]1C ZINC000881928057 653750938 /nfs/dbraw/zinc/75/09/38/653750938.db2.gz TVMPVMDAFJPXJK-USGALAMMSA-N 1 0 379.592 2.466 20 0 GEADRO Cn1nc(I)cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000865021676 653751324 /nfs/dbraw/zinc/75/13/24/653751324.db2.gz JWDMEDSWGSKSHA-UHFFFAOYSA-N 1 0 390.269 2.019 20 0 GEADRO CCc1nn(C)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000881934073 653751329 /nfs/dbraw/zinc/75/13/29/653751329.db2.gz NJHXBHNDRNZWQE-GUYCJALGSA-N 1 0 382.555 2.405 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842304654 653751661 /nfs/dbraw/zinc/75/16/61/653751661.db2.gz RPHCOROZESUYHG-RYUDHWBXSA-N 1 0 379.306 2.342 20 0 GEADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000881966374 653753610 /nfs/dbraw/zinc/75/36/10/653753610.db2.gz DIADSSWYKJOWFK-CYBMUJFWSA-N 1 0 387.373 2.333 20 0 GEADRO CC(C)n1ncc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c1I ZINC000865124697 653754641 /nfs/dbraw/zinc/75/46/41/653754641.db2.gz CXCUVLJSZZHHQW-LLVKDONJSA-N 1 0 390.269 2.235 20 0 GEADRO Cn1nnc(Br)c1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000819677598 653755477 /nfs/dbraw/zinc/75/54/77/653755477.db2.gz CDGRQADILIZMOX-UHFFFAOYSA-N 1 0 399.318 2.443 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cc[n+]([O-])cc1 ZINC000819737977 653756697 /nfs/dbraw/zinc/75/66/97/653756697.db2.gz COKAGPUDECKRDD-UHFFFAOYSA-N 1 0 393.285 2.333 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@H]1COC(=O)C1 ZINC000819739966 653756716 /nfs/dbraw/zinc/75/67/16/653756716.db2.gz OYXHGVSHMFEFSH-GFCCVEGCSA-N 1 0 398.301 2.339 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2nc(Br)sc2Cl)C1 ZINC000865196151 653756760 /nfs/dbraw/zinc/75/67/60/653756760.db2.gz ZSAUYWMYDMGWNS-MRVPVSSYSA-N 1 0 382.711 2.400 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842484852 653758499 /nfs/dbraw/zinc/75/84/99/653758499.db2.gz WDBGNVCZABYZBS-CQSZACIVSA-N 1 0 393.278 2.113 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)c1Cl ZINC000842486188 653758787 /nfs/dbraw/zinc/75/87/87/653758787.db2.gz UEFDRJQLITXZMQ-WPRPVWTQSA-N 1 0 380.919 2.102 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000842486230 653758825 /nfs/dbraw/zinc/75/88/25/653758825.db2.gz VCRLWNMJOXGROM-RISCZKNCSA-N 1 0 394.324 2.295 20 0 GEADRO COCC[N@H+](C)CCN1C(=O)[C@H](c2ccc(Br)s2)N(C)C1=O ZINC000865301358 653759307 /nfs/dbraw/zinc/75/93/07/653759307.db2.gz KKDDWNDFGSNKAF-LBPRGKRZSA-N 1 0 390.303 2.024 20 0 GEADRO CC(C)C[C@@H]([NH3+])c1noc(C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)n1 ZINC000842586003 653760056 /nfs/dbraw/zinc/76/00/56/653760056.db2.gz KVVMJUKXFZBXGL-GHMZBOCLSA-N 1 0 387.893 2.073 20 0 GEADRO COc1cc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)ccn1 ZINC000788594230 653760160 /nfs/dbraw/zinc/76/01/60/653760160.db2.gz TVYABZKOOFGNQJ-LLVKDONJSA-N 1 0 381.420 2.302 20 0 GEADRO CON(C)S(=O)(=O)c1cc(-c2nc(C3([NH3+])CCCC3)no2)ccc1Cl ZINC000842587607 653760200 /nfs/dbraw/zinc/76/02/00/653760200.db2.gz CVXNTSRPSXFIMD-UHFFFAOYSA-N 1 0 386.861 2.300 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1Cl ZINC000882102444 653762423 /nfs/dbraw/zinc/76/24/23/653762423.db2.gz NGBSWTBWPARFOM-ZIAGYGMSSA-N 1 0 375.878 2.279 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC000788674553 653762862 /nfs/dbraw/zinc/76/28/62/653762862.db2.gz GQBRWWUPFAKOBK-UHFFFAOYSA-N 1 0 378.416 2.280 20 0 GEADRO COc1ccc(CCS(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000788674813 653763030 /nfs/dbraw/zinc/76/30/30/653763030.db2.gz IMAQMKBKXIJHEX-QZTJIDSGSA-N 1 0 384.567 2.079 20 0 GEADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(Br)cnc1Cl)CC2 ZINC000842688602 653763112 /nfs/dbraw/zinc/76/31/12/653763112.db2.gz JXSSDKQRKFUQOU-LLVKDONJSA-N 1 0 386.681 2.340 20 0 GEADRO NC(=O)C[C@H]([NH2+]Cc1cc(Br)cnc1Cl)C1CCOCC1 ZINC000842695338 653763290 /nfs/dbraw/zinc/76/32/90/653763290.db2.gz UNJCQJMXEVHOIZ-LBPRGKRZSA-N 1 0 376.682 2.258 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cnc1Cl ZINC000842699356 653763618 /nfs/dbraw/zinc/76/36/18/653763618.db2.gz LTRXYMZPDZKEGE-QWHCGFSZSA-N 1 0 379.682 2.408 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000842709629 653764091 /nfs/dbraw/zinc/76/40/91/653764091.db2.gz BXBUKSVJFVTCDP-SNVBAGLBSA-N 1 0 380.919 2.259 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)C[C@@H](C)n2cc(Br)cn2)C1 ZINC000842717418 653764383 /nfs/dbraw/zinc/76/43/83/653764383.db2.gz UHZGFMYTNVDXFB-UKRRQHHQSA-N 1 0 388.306 2.497 20 0 GEADRO CCC[NH+]1CCC(Nc2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865415908 653764610 /nfs/dbraw/zinc/76/46/10/653764610.db2.gz QUSKGGLSPRBXID-UHFFFAOYSA-N 1 0 376.320 2.383 20 0 GEADRO NS(=O)(=O)c1cc(Br)ccc1NCCC[NH+]1CCCCC1 ZINC000865415442 653764635 /nfs/dbraw/zinc/76/46/35/653764635.db2.gz KYHAEDLAFMGDDD-UHFFFAOYSA-N 1 0 376.320 2.384 20 0 GEADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000865455592 653765690 /nfs/dbraw/zinc/76/56/90/653765690.db2.gz JBLOMJWCYLICME-UHFFFAOYSA-N 1 0 378.460 2.390 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1Br ZINC000842748415 653765899 /nfs/dbraw/zinc/76/58/99/653765899.db2.gz OUOOEVHLJVVEIX-LBPRGKRZSA-N 1 0 387.299 2.167 20 0 GEADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000865494611 653766781 /nfs/dbraw/zinc/76/67/81/653766781.db2.gz FQFGMNIDCJFBFB-KGLIPLIRSA-N 1 0 375.535 2.117 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CC1CCS(=O)(=O)CC1)CC(F)(F)F ZINC000865510601 653767217 /nfs/dbraw/zinc/76/72/17/653767217.db2.gz MQEOFAVFTDZMMJ-GFCCVEGCSA-N 1 0 388.452 2.247 20 0 GEADRO Cc1ccnc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1Br ZINC000865513762 653767219 /nfs/dbraw/zinc/76/72/19/653767219.db2.gz ZWOIWNUGGDWEFO-AWEZNQCLSA-N 1 0 385.350 2.335 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)ccc1Br ZINC000842796582 653767825 /nfs/dbraw/zinc/76/78/25/653767825.db2.gz BQUGGTOSDFNZIY-UHFFFAOYSA-N 1 0 387.299 2.200 20 0 GEADRO CCCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)nn1 ZINC000865591202 653769131 /nfs/dbraw/zinc/76/91/31/653769131.db2.gz CPUGUAKYAARRBA-AWEZNQCLSA-N 1 0 397.317 2.400 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c(C)c1Cl ZINC000842827930 653769999 /nfs/dbraw/zinc/76/99/99/653769999.db2.gz VOICGKSWUBTRKE-AWEZNQCLSA-N 1 0 380.919 2.165 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(c3ccc(Br)cc3S(N)(=O)=O)CC[C@H]21 ZINC000865615667 653770229 /nfs/dbraw/zinc/77/02/29/653770229.db2.gz BYKFXDVEMVEINU-WCQYABFASA-N 1 0 388.331 2.017 20 0 GEADRO CN1CCC[C@]2(CCN(S(=O)(=O)N=[S@@](C)(=O)C3CCCCC3)C2)C1 ZINC000882221271 653770408 /nfs/dbraw/zinc/77/04/08/653770408.db2.gz JLHGYHZNBWWOGP-HJPURHCSSA-N 1 0 377.576 2.079 20 0 GEADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000842842618 653770435 /nfs/dbraw/zinc/77/04/35/653770435.db2.gz YFOIKUNZMXLQCF-SECBINFHSA-N 1 0 382.711 2.247 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)[C@@H]2C1 ZINC000820264850 653770474 /nfs/dbraw/zinc/77/04/74/653770474.db2.gz SQTOYRFFEKCLMG-BXUZGUMPSA-N 1 0 377.238 2.332 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)/C=C\c2ccccc2Br)CCC[NH2+]1 ZINC000842859048 653770667 /nfs/dbraw/zinc/77/06/67/653770667.db2.gz GBIDTNJFRBSGHV-XMELGKRDSA-N 1 0 389.315 2.108 20 0 GEADRO CCCn1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nn1 ZINC000865640434 653770802 /nfs/dbraw/zinc/77/08/02/653770802.db2.gz ICPJFGXHFBOHLV-KRWDZBQOSA-N 1 0 379.302 2.460 20 0 GEADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000865649738 653771041 /nfs/dbraw/zinc/77/10/41/653771041.db2.gz SWOHXBZFCMQJFD-HNNXBMFYSA-N 1 0 390.281 2.130 20 0 GEADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842876608 653771533 /nfs/dbraw/zinc/77/15/33/653771533.db2.gz VAVKGEXASBRBTQ-NEPJUHHUSA-N 1 0 388.946 2.450 20 0 GEADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842876570 653771555 /nfs/dbraw/zinc/77/15/55/653771555.db2.gz UCRGZOLVOXTLAM-NWDGAFQWSA-N 1 0 384.889 2.277 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842890657 653772088 /nfs/dbraw/zinc/77/20/88/653772088.db2.gz QXJBQTXDAZYFSF-GFCCVEGCSA-N 1 0 399.257 2.123 20 0 GEADRO CC(=O)N[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000865718028 653772833 /nfs/dbraw/zinc/77/28/33/653772833.db2.gz RZRHEKOYWULXRD-SJORKVTESA-N 1 0 394.313 2.321 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c1 ZINC000865721106 653773063 /nfs/dbraw/zinc/77/30/63/653773063.db2.gz PBUZKASOBAZJSB-UHFFFAOYSA-N 1 0 377.535 2.328 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000789386054 653773513 /nfs/dbraw/zinc/77/35/13/653773513.db2.gz HENCFNOMVQAGFZ-HOCLYGCPSA-N 1 0 383.583 2.490 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cncc(Br)c2)[C@H](O)C1 ZINC000865746493 653773618 /nfs/dbraw/zinc/77/36/18/653773618.db2.gz KBKXRHOFESSHEX-UONOGXRCSA-N 1 0 386.290 2.304 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NCCCCCC[NH3+])c(Br)c1 ZINC000842919672 653773735 /nfs/dbraw/zinc/77/37/35/653773735.db2.gz MPCBBJDZUGMZGP-UHFFFAOYSA-N 1 0 393.303 2.033 20 0 GEADRO COc1nc(Br)ccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000789391354 653773884 /nfs/dbraw/zinc/77/38/84/653773884.db2.gz CPYAMIVPJOJUMW-GFCCVEGCSA-N 1 0 399.289 2.039 20 0 GEADRO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000865766521 653774208 /nfs/dbraw/zinc/77/42/08/653774208.db2.gz NFZDBGKQSPDXHQ-NNUKFRKNSA-N 1 0 380.491 2.283 20 0 GEADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NCCCCCC[NH3+])c1 ZINC000842923294 653774243 /nfs/dbraw/zinc/77/42/43/653774243.db2.gz VVCUWWBTNSHFRJ-UHFFFAOYSA-N 1 0 393.303 2.033 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865771161 653774380 /nfs/dbraw/zinc/77/43/80/653774380.db2.gz XURJAMWBABTWHU-OAHLLOKOSA-N 1 0 387.299 2.482 20 0 GEADRO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000865777544 653774682 /nfs/dbraw/zinc/77/46/82/653774682.db2.gz ZTBQETHNNYLCAK-UHFFFAOYSA-N 1 0 388.555 2.047 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2nc(Br)sc2Cl)CC1 ZINC000865791534 653775220 /nfs/dbraw/zinc/77/52/20/653775220.db2.gz CIQZFDMOFRXGRQ-SECBINFHSA-N 1 0 395.754 2.315 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000820495502 653775529 /nfs/dbraw/zinc/77/55/29/653775529.db2.gz SRRCHLYEMTYWAE-UHFFFAOYSA-N 1 0 376.810 2.073 20 0 GEADRO CC(C)(C[NH2+]CC1=Cc2cc(Br)ccc2OC1)CS(N)(=O)=O ZINC000865813495 653775833 /nfs/dbraw/zinc/77/58/33/653775833.db2.gz VHJOIJQHIUQSGY-UHFFFAOYSA-N 1 0 389.315 2.129 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2csc(Br)n2)C1 ZINC000820521928 653776065 /nfs/dbraw/zinc/77/60/65/653776065.db2.gz YDBXJAQHHWOJPB-LLVKDONJSA-N 1 0 376.320 2.479 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000820551421 653776761 /nfs/dbraw/zinc/77/67/61/653776761.db2.gz HBFMCCPMVJDAQB-YVLXSGLVSA-N 1 0 380.286 2.426 20 0 GEADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)cc1F ZINC000820597065 653777455 /nfs/dbraw/zinc/77/74/55/653777455.db2.gz RGXPHUUFMBYBCQ-VXGBXAGGSA-N 1 0 382.379 2.049 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000865867220 653777640 /nfs/dbraw/zinc/77/76/40/653777640.db2.gz GULPKNZPZLGJFO-GFCCVEGCSA-N 1 0 382.249 2.457 20 0 GEADRO CCn1ncc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1Br ZINC000820609781 653777722 /nfs/dbraw/zinc/77/77/22/653777722.db2.gz VDVUBILJCXOXJN-UHFFFAOYSA-N 1 0 387.322 2.238 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000843049007 653778137 /nfs/dbraw/zinc/77/81/37/653778137.db2.gz FAXRNDKNXKOJHE-RKDXNWHRSA-N 1 0 381.782 2.462 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCCCCCC[NH3+])cc1Br ZINC000843053173 653778288 /nfs/dbraw/zinc/77/82/88/653778288.db2.gz YBQMLNDTPAQNGY-UHFFFAOYSA-N 1 0 386.290 2.422 20 0 GEADRO O[C@H](CNC[C@@H](O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000843061280 653778362 /nfs/dbraw/zinc/77/83/62/653778362.db2.gz DJVUIUDAOKKBEZ-CZUORRHYSA-N 1 0 375.282 2.058 20 0 GEADRO O[C@H](C[NH2+]C[C@H](O)c1ccccn1)COc1cc(F)cc(Br)c1 ZINC000843094245 653779136 /nfs/dbraw/zinc/77/91/36/653779136.db2.gz ITGPREYLIOBTJR-CJNGLKHVSA-N 1 0 385.233 2.046 20 0 GEADRO C[C@](O)(C[NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(Br)cc1F ZINC000843097035 653779285 /nfs/dbraw/zinc/77/92/85/653779285.db2.gz WGEFBPWLZPRHIR-PBHICJAKSA-N 1 0 389.309 2.232 20 0 GEADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000882385057 653779245 /nfs/dbraw/zinc/77/92/45/653779245.db2.gz ABBVJRZFELQKHN-CQSZACIVSA-N 1 0 399.384 2.381 20 0 GEADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000843110057 653779725 /nfs/dbraw/zinc/77/97/25/653779725.db2.gz AOLBOBZWDRPBAV-RHSMWYFYSA-N 1 0 376.856 2.378 20 0 GEADRO [NH3+]C[C@H]1CN(Cc2nc3ccccn3c2Br)CC12CCOCC2 ZINC000843125187 653780163 /nfs/dbraw/zinc/78/01/63/653780163.db2.gz NQHVHPSTKGYNTL-ZDUSSCGKSA-N 1 0 379.302 2.284 20 0 GEADRO C[C@@H]1CN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C[C@H](C)[N@H+]1C ZINC000820688041 653780208 /nfs/dbraw/zinc/78/02/08/653780208.db2.gz INJQOKJXMASMAY-UHIISALHSA-N 1 0 380.286 2.426 20 0 GEADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000843134861 653780268 /nfs/dbraw/zinc/78/02/68/653780268.db2.gz YHYIZZRLAGXJML-LLVKDONJSA-N 1 0 384.889 2.305 20 0 GEADRO O=C(NCCc1nc(C2CC[NH2+]CC2)no1)c1cc(F)ccc1Br ZINC000843138512 653780378 /nfs/dbraw/zinc/78/03/78/653780378.db2.gz WKPWLJJEXYITLQ-UHFFFAOYSA-N 1 0 397.248 2.411 20 0 GEADRO CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)N2CCc3sccc3C2)C1 ZINC000789720937 653780437 /nfs/dbraw/zinc/78/04/37/653780437.db2.gz BCLXRFLIDURTTJ-NWANDNLSSA-N 1 0 381.567 2.011 20 0 GEADRO CC(C)[C@H]([NH3+])c1noc(CN2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843152911 653780628 /nfs/dbraw/zinc/78/06/28/653780628.db2.gz UCNZYHGSDGWQAA-LBPRGKRZSA-N 1 0 379.214 2.284 20 0 GEADRO CC(C)[C@@H]([NH3+])c1noc(CN2c3ccc(Br)cc3OCC2=O)n1 ZINC000843153477 653780703 /nfs/dbraw/zinc/78/07/03/653780703.db2.gz VKSDRPRMXKYBKE-CQSZACIVSA-N 1 0 381.230 2.414 20 0 GEADRO CC(C)[C@@H]([NH3+])c1noc(CCn2cnc3ccc(Br)cc3c2=O)n1 ZINC000843153182 653780729 /nfs/dbraw/zinc/78/07/29/653780729.db2.gz MAMDZFHJOYEWNG-CQSZACIVSA-N 1 0 392.257 2.441 20 0 GEADRO C[NH2+]C[C@@H](C)c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000843201451 653781228 /nfs/dbraw/zinc/78/12/28/653781228.db2.gz VOGZGJMOYWQYON-MRVPVSSYSA-N 1 0 378.230 2.395 20 0 GEADRO Ic1cnc2c(-c3noc(C4CC[NH2+]CC4)n3)cccn12 ZINC000843224050 653781668 /nfs/dbraw/zinc/78/16/68/653781668.db2.gz JRXNKADOZVSYRS-UHFFFAOYSA-N 1 0 395.204 2.456 20 0 GEADRO CC(C)([NH3+])Cc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000843223670 653781710 /nfs/dbraw/zinc/78/17/10/653781710.db2.gz FJUHFBOHHKAPQD-UHFFFAOYSA-N 1 0 383.193 2.269 20 0 GEADRO Ic1cnc2c(-c3noc(C[C@H]4CCC[NH2+]4)n3)cccn12 ZINC000843224009 653781778 /nfs/dbraw/zinc/78/17/78/653781778.db2.gz ITXAXBLDPNCGOF-SECBINFHSA-N 1 0 395.204 2.283 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000866073570 653785149 /nfs/dbraw/zinc/78/51/49/653785149.db2.gz PVAYRYBPBWVIKQ-RLCCDNCMSA-N 1 0 382.302 2.225 20 0 GEADRO Cc1ccc(/C=C\C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(Br)c1 ZINC000843325140 653785217 /nfs/dbraw/zinc/78/52/17/653785217.db2.gz HQZKUYHTOLGMTB-IDTUSYRASA-N 1 0 394.313 2.084 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)cn3ncnc23)CC[N@@H+](C2CC2)C1 ZINC000820874379 653785602 /nfs/dbraw/zinc/78/56/02/653785602.db2.gz ODQQBMRBLGFKSE-NSHDSACASA-N 1 0 378.274 2.048 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000843398866 653786155 /nfs/dbraw/zinc/78/61/55/653786155.db2.gz IYOUABPECGJQNL-CVEARBPZSA-N 1 0 383.286 2.118 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000843407469 653786360 /nfs/dbraw/zinc/78/63/60/653786360.db2.gz GSBCYFBJQWRWSE-CJNGLKHVSA-N 1 0 383.286 2.118 20 0 GEADRO [NH3+][C@H](C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000843445184 653787223 /nfs/dbraw/zinc/78/72/23/653787223.db2.gz YITXXCOWJZMANR-ZDUSSCGKSA-N 1 0 377.794 2.257 20 0 GEADRO C[C@H]1[NH2+]CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)[C@H]1C ZINC000843473085 653787804 /nfs/dbraw/zinc/78/78/04/653787804.db2.gz ASRWZYHUYCHATB-NEPJUHHUSA-N 1 0 387.933 2.239 20 0 GEADRO Cc1ccc(/C=C\C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000843478302 653787942 /nfs/dbraw/zinc/78/79/42/653787942.db2.gz TWNAVMBJZWITPP-AWFCHZOYSA-N 1 0 378.314 2.277 20 0 GEADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000843503301 653788660 /nfs/dbraw/zinc/78/86/60/653788660.db2.gz KEKDAKRTDWCBLY-DTWKUNHWSA-N 1 0 394.324 2.290 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCCCCCC[NH3+] ZINC000843509576 653788875 /nfs/dbraw/zinc/78/88/75/653788875.db2.gz LDFXPKXKBQWCKB-JTQLQIEISA-N 1 0 376.320 2.264 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000843513534 653789042 /nfs/dbraw/zinc/78/90/42/653789042.db2.gz HDDDYJJBMMTJEL-CYBMUJFWSA-N 1 0 376.400 2.385 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Br)n2)CCN1c1cc[nH+]cc1 ZINC000882619120 653790957 /nfs/dbraw/zinc/79/09/57/653790957.db2.gz CGHQWSAHARAKFY-GFCCVEGCSA-N 1 0 397.298 2.139 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000790597430 653793908 /nfs/dbraw/zinc/79/39/08/653793908.db2.gz ZWRCNSVZSRZGQF-IAGOWNOFSA-N 1 0 381.314 2.358 20 0 GEADRO C[C@H](CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)n1cc(Br)cn1 ZINC000843797434 653794541 /nfs/dbraw/zinc/79/45/41/653794541.db2.gz VGGNLKKZRYGIFC-CJNGLKHVSA-N 1 0 399.333 2.356 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000821391874 653796986 /nfs/dbraw/zinc/79/69/86/653796986.db2.gz RRXZQLQCZFZNEU-ZDUSSCGKSA-N 1 0 382.258 2.200 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(c3cnn(CC(F)(F)F)c(=O)c3Br)CC[C@H]21 ZINC000882699104 653798396 /nfs/dbraw/zinc/79/83/96/653798396.db2.gz NHFNGEWZDLUQBZ-NXEZZACHSA-N 1 0 395.223 2.099 20 0 GEADRO CC1CC[NH+](CCCCNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000866503183 653799397 /nfs/dbraw/zinc/79/93/97/653799397.db2.gz PWAOJVMCSMPEDK-DEOSSOPVSA-N 1 0 387.571 2.490 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccccc1SC(F)(F)F ZINC000844041776 653799841 /nfs/dbraw/zinc/79/98/41/653799841.db2.gz SAYFRRWRUZCSMR-NSHDSACASA-N 1 0 375.416 2.491 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)cc1Br ZINC000866519736 653800294 /nfs/dbraw/zinc/80/02/94/653800294.db2.gz VENAWLICZBRTLR-BZNIZROVSA-N 1 0 385.258 2.330 20 0 GEADRO O=S1(=O)N=C(Cl)c2ccc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)cc21 ZINC000882726788 653800641 /nfs/dbraw/zinc/80/06/41/653800641.db2.gz COVXEZGJKHLTCJ-CYBMUJFWSA-N 1 0 383.901 2.112 20 0 GEADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000866525406 653800625 /nfs/dbraw/zinc/80/06/25/653800625.db2.gz RTSGEPQYWFPUAO-MEDUHNTESA-N 1 0 387.249 2.330 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@@H](c3nc(Br)cs3)C3CC3)COCCN12 ZINC000866523488 653800629 /nfs/dbraw/zinc/80/06/29/653800629.db2.gz PYMRQLVRWZCFFV-BXUZGUMPSA-N 1 0 388.287 2.168 20 0 GEADRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000844379914 653805728 /nfs/dbraw/zinc/80/57/28/653805728.db2.gz RJGFUGMMKWXLPL-WCQYABFASA-N 1 0 378.441 2.008 20 0 GEADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000882767694 653805745 /nfs/dbraw/zinc/80/57/45/653805745.db2.gz YGPVTPYYLDAVHK-HSZRJFAPSA-N 1 0 377.576 2.222 20 0 GEADRO CC[C@@H]([NH2+]Cc1c(I)cnn1C)C1(C(=O)OC)CCC1 ZINC000866629780 653806937 /nfs/dbraw/zinc/80/69/37/653806937.db2.gz LYIDWANROKNKFB-GFCCVEGCSA-N 1 0 391.253 2.236 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000866631028 653807163 /nfs/dbraw/zinc/80/71/63/653807163.db2.gz CATDBUDOKKPOBL-BPNCWPANSA-N 1 0 387.265 2.462 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C[C@H]1COC(=O)C1)c1ccc(Br)cn1 ZINC000844508524 653807590 /nfs/dbraw/zinc/80/75/90/653807590.db2.gz FTRUPSZRWXLVBK-CYBMUJFWSA-N 1 0 398.301 2.472 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CCC23CC[NH+](C)CC3)c2ccsc2S1(=O)=O ZINC000894982169 653811057 /nfs/dbraw/zinc/81/10/57/653811057.db2.gz FIRVIWOHLBPTGM-JSGCOSHPSA-N 1 0 383.539 2.235 20 0 GEADRO Cc1nn(C)c(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1Br ZINC000895005624 653812066 /nfs/dbraw/zinc/81/20/66/653812066.db2.gz PGSWJYNYXOLRDH-KGLIPLIRSA-N 1 0 377.286 2.192 20 0 GEADRO C[NH+](C)C[C@@]1(O)CCN(c2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000895010087 653812504 /nfs/dbraw/zinc/81/25/04/653812504.db2.gz LPHIZSDYASGZAG-KRWDZBQOSA-N 1 0 377.286 2.409 20 0 GEADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3csc(Br)n3)CC2)CC1 ZINC000821944828 653812731 /nfs/dbraw/zinc/81/27/31/653812731.db2.gz LVSYLEVIKQFRRY-TXEJJXNPSA-N 1 0 387.347 2.194 20 0 GEADRO CC[S@](C)(=O)=NS(=O)(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000866717959 653814859 /nfs/dbraw/zinc/81/48/59/653814859.db2.gz VCCYDWIWKRVYFE-DEOSSOPVSA-N 1 0 387.571 2.193 20 0 GEADRO O=C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1cccc(I)c1 ZINC000866721374 653815347 /nfs/dbraw/zinc/81/53/47/653815347.db2.gz VQIQSFWBYYBTMH-UONOGXRCSA-N 1 0 385.249 2.056 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866737087 653817227 /nfs/dbraw/zinc/81/72/27/653817227.db2.gz JSWWVQWDNDSBGS-CMPLNLGQSA-N 1 0 379.404 2.078 20 0 GEADRO CC1CC[NH+](CCNC(=O)c2csc(I)n2)CC1 ZINC000822058029 653817474 /nfs/dbraw/zinc/81/74/74/653817474.db2.gz BRZWIMLLOUWTAC-UHFFFAOYSA-N 1 0 379.267 2.209 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000866739598 653817446 /nfs/dbraw/zinc/81/74/46/653817446.db2.gz GUCXRTCDEROBMB-VXGBXAGGSA-N 1 0 391.331 2.347 20 0 GEADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)C[C@]3(C)CC3(Cl)Cl)CC2)c1 ZINC000866739011 653817545 /nfs/dbraw/zinc/81/75/45/653817545.db2.gz VVJGXHGESURHPW-AWEZNQCLSA-N 1 0 394.324 2.126 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000866738271 653817559 /nfs/dbraw/zinc/81/75/59/653817559.db2.gz MNEVWCWVTWTGRU-RYUDHWBXSA-N 1 0 391.331 2.265 20 0 GEADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC([NH2+]CC2CC2)CC1 ZINC000866741759 653817767 /nfs/dbraw/zinc/81/77/67/653817767.db2.gz KGPUTZMIRSYAME-UHFFFAOYSA-N 1 0 386.930 2.497 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)c3nc(Br)ccc3F)CC2)c1 ZINC000791575977 653818214 /nfs/dbraw/zinc/81/82/14/653818214.db2.gz ZFZIAPJSLUTIBI-UHFFFAOYSA-N 1 0 395.232 2.349 20 0 GEADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000866748303 653818668 /nfs/dbraw/zinc/81/86/68/653818668.db2.gz MJLKISRLLMTNJD-SWLSCSKDSA-N 1 0 378.416 2.161 20 0 GEADRO C[C@@H]([NH2+]Cc1c2c(nn1C)CCSC2)c1cccc(NS(C)(=O)=O)c1 ZINC000882936174 653819037 /nfs/dbraw/zinc/81/90/37/653819037.db2.gz NMLFSHHVNOVQOP-GFCCVEGCSA-N 1 0 380.539 2.432 20 0 GEADRO C[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895185030 653821832 /nfs/dbraw/zinc/82/18/32/653821832.db2.gz ZKQCMPYABCYENO-MELADBBJSA-N 1 0 388.965 2.220 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)C1N=NC(=O)N1C ZINC000895178930 653821952 /nfs/dbraw/zinc/82/19/52/653821952.db2.gz ZASLTTHALKRGEQ-VHSXEESVSA-N 1 0 382.262 2.351 20 0 GEADRO C[C@@H](C[NH2+]Cc1cn(C)nc1I)C(=O)OC(C)(C)C ZINC000895189028 653822102 /nfs/dbraw/zinc/82/21/02/653822102.db2.gz REULKLKUYMOKLX-VIFPVBQESA-N 1 0 379.242 2.092 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000866770848 653822499 /nfs/dbraw/zinc/82/24/99/653822499.db2.gz GYYDWGAUXBDUPS-NEPJUHHUSA-N 1 0 391.331 2.204 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(Cl)cnc3Cl)CC2)C1 ZINC000866771979 653822994 /nfs/dbraw/zinc/82/29/94/653822994.db2.gz MDONLNLHHSGFAW-STQMWFEESA-N 1 0 394.324 2.295 20 0 GEADRO C[C@]1(CS(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1(Cl)Cl ZINC000866775241 653823553 /nfs/dbraw/zinc/82/35/53/653823553.db2.gz YFXCHRLMTZTKGA-REWJHTLYSA-N 1 0 385.357 2.118 20 0 GEADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895234686 653824157 /nfs/dbraw/zinc/82/41/57/653824157.db2.gz HRXSJIVFELDQAM-MGPQQGTHSA-N 1 0 389.949 2.289 20 0 GEADRO CN1CCN(c2ccc(NC(=O)C3(C[NH+](C)C)CC3)cc2Br)CC1 ZINC000822340522 653824181 /nfs/dbraw/zinc/82/41/81/653824181.db2.gz YMLMHMNWYUEOBD-UHFFFAOYSA-N 1 0 395.345 2.481 20 0 GEADRO C[C@@H](Nc1ccnc(-c2ccc(Br)cc2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000895246569 653824738 /nfs/dbraw/zinc/82/47/38/653824738.db2.gz DEBHOTZXQUNPTM-CJNGLKHVSA-N 1 0 390.329 2.374 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000866786733 653826125 /nfs/dbraw/zinc/82/61/25/653826125.db2.gz DINNMAHZRKZJQP-CVEARBPZSA-N 1 0 379.592 2.325 20 0 GEADRO CC1(C)CC[C@H](CNS(=O)(=O)Cc2ncsc2Br)[NH2+]C1 ZINC000866786502 653826142 /nfs/dbraw/zinc/82/61/42/653826142.db2.gz AMXPQGLNJVMMPO-SECBINFHSA-N 1 0 382.349 2.103 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCN3C(=S)N=NC3c3cccs3)[C@@H]2C1 ZINC000822438602 653827953 /nfs/dbraw/zinc/82/79/53/653827953.db2.gz KKUFTWYTXXQKKP-QWHCGFSZSA-N 1 0 377.539 2.238 20 0 GEADRO C[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC000822455466 653828566 /nfs/dbraw/zinc/82/85/66/653828566.db2.gz FVSRKMLOWSUIHS-KBPBESRZSA-N 1 0 377.551 2.082 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)ccc1Br ZINC000866804056 653828984 /nfs/dbraw/zinc/82/89/84/653828984.db2.gz PBPYTUNCWZUSEG-UHFFFAOYSA-N 1 0 389.315 2.414 20 0 GEADRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000895345210 653829131 /nfs/dbraw/zinc/82/91/31/653829131.db2.gz ZCLCBLZVUPEWOD-KBPBESRZSA-N 1 0 376.316 2.128 20 0 GEADRO Cn1cc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c(I)n1 ZINC000895359754 653829907 /nfs/dbraw/zinc/82/99/07/653829907.db2.gz IBHJPZGSOARSJU-CYBMUJFWSA-N 1 0 388.297 2.236 20 0 GEADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1F ZINC000866808922 653830049 /nfs/dbraw/zinc/83/00/49/653830049.db2.gz CVQDFMHJSLBGDG-YHPBZONMSA-N 1 0 377.279 2.397 20 0 GEADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000866807921 653830133 /nfs/dbraw/zinc/83/01/33/653830133.db2.gz TWCQBTAIOZOZJI-XWEPSHTISA-N 1 0 387.221 2.484 20 0 GEADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(N)nc(Br)c3)n2)CC1 ZINC000822516434 653830312 /nfs/dbraw/zinc/83/03/12/653830312.db2.gz DOGYUJQAEWNDPY-UHFFFAOYSA-N 1 0 379.262 2.142 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866811313 653830953 /nfs/dbraw/zinc/83/09/53/653830953.db2.gz QVUUKJUZAOULEG-QWHCGFSZSA-N 1 0 390.933 2.420 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c(Cl)cc1Cl ZINC000866813142 653831314 /nfs/dbraw/zinc/83/13/14/653831314.db2.gz MZOCPCNDWOWTJJ-VIFPVBQESA-N 1 0 395.308 2.446 20 0 GEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984663 653831629 /nfs/dbraw/zinc/83/16/29/653831629.db2.gz NMIFLWCXOUAQDR-KBPBESRZSA-N 1 0 377.360 2.428 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](COC)[C@H]2CCCOC2)s1 ZINC000883179746 653831597 /nfs/dbraw/zinc/83/15/97/653831597.db2.gz HWTMVGPKSHETRF-GOEBONIOSA-N 1 0 390.571 2.310 20 0 GEADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000866814726 653831653 /nfs/dbraw/zinc/83/16/53/653831653.db2.gz FUUPQJDWOBXFEQ-AWEZNQCLSA-N 1 0 376.320 2.230 20 0 GEADRO COC[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000883204395 653832111 /nfs/dbraw/zinc/83/21/11/653832111.db2.gz ZNZARAJVIWIPRN-ZBFHGGJFSA-N 1 0 385.302 2.210 20 0 GEADRO COCCC1(NS(=O)(=O)c2sc(C)cc2Br)CC[NH2+]CC1 ZINC000866821339 653832532 /nfs/dbraw/zinc/83/25/32/653832532.db2.gz AMWLLMXYOXWTRC-UHFFFAOYSA-N 1 0 397.360 2.256 20 0 GEADRO COCCC1(NS(=O)(=O)c2cc(Cl)c(OC)cc2C)CC[NH2+]CC1 ZINC000866821893 653832690 /nfs/dbraw/zinc/83/26/90/653832690.db2.gz URODTDBTHCNBMO-UHFFFAOYSA-N 1 0 376.906 2.094 20 0 GEADRO C[C@H]([NH2+]CCc1ccns1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000883247926 653833074 /nfs/dbraw/zinc/83/30/74/653833074.db2.gz BKLBIVYIYZJFKX-AWEZNQCLSA-N 1 0 381.523 2.057 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(C)c1Cl ZINC000866824208 653833327 /nfs/dbraw/zinc/83/33/27/653833327.db2.gz KGXRIRHUFQKCFO-VHSXEESVSA-N 1 0 378.903 2.012 20 0 GEADRO COCCC1(NS(=O)(=O)c2csnc2-c2ccccc2)CC[NH2+]CC1 ZINC000866825541 653833653 /nfs/dbraw/zinc/83/36/53/653833653.db2.gz LVNVXJQWSNAICE-UHFFFAOYSA-N 1 0 381.523 2.247 20 0 GEADRO Cc1cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)ncc1Br ZINC000883290691 653834181 /nfs/dbraw/zinc/83/41/81/653834181.db2.gz CMZCIEMJKUVXCA-UHFFFAOYSA-N 1 0 390.347 2.493 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCCC[NH+](C)C ZINC000792087826 653834361 /nfs/dbraw/zinc/83/43/61/653834361.db2.gz PKYOTLSZABWQMT-UHFFFAOYSA-N 1 0 378.288 2.270 20 0 GEADRO CC(C)(C)OC(=O)COCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895439539 653834637 /nfs/dbraw/zinc/83/46/37/653834637.db2.gz GNQYIGRIPLPWNC-UHFFFAOYSA-N 1 0 391.921 2.081 20 0 GEADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1nnc2n1CCNC2=O ZINC000883305225 653835194 /nfs/dbraw/zinc/83/51/94/653835194.db2.gz RLOAYIIKDUJFKC-AWEZNQCLSA-N 1 0 392.301 2.141 20 0 GEADRO O=C(NCCc1sccc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000883332636 653835518 /nfs/dbraw/zinc/83/55/18/653835518.db2.gz ZQCUZAYERBLOKD-NEPJUHHUSA-N 1 0 388.331 2.216 20 0 GEADRO C[C@H](C[NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cccc(Br)c1 ZINC000883332889 653835849 /nfs/dbraw/zinc/83/58/49/653835849.db2.gz GNZLYTCMANHYMR-LLVKDONJSA-N 1 0 376.258 2.084 20 0 GEADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1nc(Br)ccc1F ZINC000792143157 653835923 /nfs/dbraw/zinc/83/59/23/653835923.db2.gz HLLPAGPZWQWSGD-UHFFFAOYSA-N 1 0 386.265 2.358 20 0 GEADRO CN(CC[NH2+][C@H]1CCCOc2cc(Br)ccc21)CCOCCO ZINC000883350790 653836526 /nfs/dbraw/zinc/83/65/26/653836526.db2.gz PHIVGFVVYXFVKF-INIZCTEOSA-N 1 0 387.318 2.193 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000883359833 653836852 /nfs/dbraw/zinc/83/68/52/653836852.db2.gz ONWHRGONYUKETB-KWQFWETISA-N 1 0 376.347 2.267 20 0 GEADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883362149 653837150 /nfs/dbraw/zinc/83/71/50/653837150.db2.gz VKXZVEGARFJYLS-BXKDBHETSA-N 1 0 390.374 2.160 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000883360233 653837267 /nfs/dbraw/zinc/83/72/67/653837267.db2.gz YEHSZDLJDSLYDY-JOYOIKCWSA-N 1 0 390.374 2.146 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)ccc1S(C)(=O)=O ZINC000883360241 653837359 /nfs/dbraw/zinc/83/73/59/653837359.db2.gz YMWDAZLEUQOHOV-PELKAZGASA-N 1 0 391.358 2.308 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000883360231 653837394 /nfs/dbraw/zinc/83/73/94/653837394.db2.gz YEHSZDLJDSLYDY-BXKDBHETSA-N 1 0 390.374 2.146 20 0 GEADRO Cc1ccnc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1Br ZINC000883371576 653837778 /nfs/dbraw/zinc/83/77/78/653837778.db2.gz PQDOLHAEADLOEQ-INIZCTEOSA-N 1 0 397.361 2.039 20 0 GEADRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(Br)nn3C)C2)cc1 ZINC000895497209 653838302 /nfs/dbraw/zinc/83/83/02/653838302.db2.gz YJPOADVRHOBCOW-AWEZNQCLSA-N 1 0 379.258 2.474 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000792304870 653839475 /nfs/dbraw/zinc/83/94/75/653839475.db2.gz CMUKEYAGCGTXQZ-UHFFFAOYSA-N 1 0 387.322 2.064 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(Br)cc1O ZINC000895529181 653839866 /nfs/dbraw/zinc/83/98/66/653839866.db2.gz UGBHXOUGJLINRT-GWCFXTLKSA-N 1 0 384.274 2.009 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cscc2Br)C1 ZINC000883436435 653839891 /nfs/dbraw/zinc/83/98/91/653839891.db2.gz SQNRXXHSINNQFB-GFCCVEGCSA-N 1 0 376.320 2.373 20 0 GEADRO C[C@@H]1CN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCN1c1cc[nH+]cc1 ZINC000895555767 653840471 /nfs/dbraw/zinc/84/04/71/653840471.db2.gz CPTYBDYMZOAPSS-CYBMUJFWSA-N 1 0 380.901 2.093 20 0 GEADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1Br ZINC000883470002 653840925 /nfs/dbraw/zinc/84/09/25/653840925.db2.gz ITGQAZYKHOYGPI-UHFFFAOYSA-N 1 0 393.200 2.490 20 0 GEADRO CC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000883469189 653840947 /nfs/dbraw/zinc/84/09/47/653840947.db2.gz LKMZGIIOWLNXOP-ZWNOBZJWSA-N 1 0 382.379 2.176 20 0 GEADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000883469305 653841048 /nfs/dbraw/zinc/84/10/48/653841048.db2.gz NXDWPTGKBIUKRY-UHFFFAOYSA-N 1 0 385.711 2.007 20 0 GEADRO CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1Cl)N1CC[NH+](C)CC1 ZINC000866873440 653841075 /nfs/dbraw/zinc/84/10/75/653841075.db2.gz SCISTDSHZJOQQG-QGZVFWFLSA-N 1 0 391.940 2.171 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c1 ZINC000883471754 653841276 /nfs/dbraw/zinc/84/12/76/653841276.db2.gz XVMZMSFNHPPTPJ-UHFFFAOYSA-N 1 0 380.310 2.226 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000822835446 653842236 /nfs/dbraw/zinc/84/22/36/653842236.db2.gz PQMGTPDPXVIESU-UHFFFAOYSA-N 1 0 376.288 2.059 20 0 GEADRO O=S(=O)(c1ccc(F)cc1Br)N1CC[NH2+]CCC12CCC2 ZINC000883478746 653842504 /nfs/dbraw/zinc/84/25/04/653842504.db2.gz XISUIHVPPBYYRL-UHFFFAOYSA-N 1 0 377.279 2.495 20 0 GEADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)CC1 ZINC000883482745 653843084 /nfs/dbraw/zinc/84/30/84/653843084.db2.gz HMGNEHYZJJDZPB-UHFFFAOYSA-N 1 0 390.889 2.027 20 0 GEADRO COc1cc(Br)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000822879815 653844335 /nfs/dbraw/zinc/84/43/35/653844335.db2.gz WYLFSWOCZGFNJT-NWDGAFQWSA-N 1 0 399.285 2.059 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000845343993 653844467 /nfs/dbraw/zinc/84/44/67/653844467.db2.gz TWTCPMKNTOSRMP-KFWWJZLASA-N 1 0 395.297 2.295 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000883540925 653845139 /nfs/dbraw/zinc/84/51/39/653845139.db2.gz QZFLUUQZDYAHGH-RYUDHWBXSA-N 1 0 375.382 2.212 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592259 653846226 /nfs/dbraw/zinc/84/62/26/653846226.db2.gz BNSQQHPOOUTEGD-JTQLQIEISA-N 1 0 383.246 2.044 20 0 GEADRO C[C@H]([NH3+])CCc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000822918685 653846152 /nfs/dbraw/zinc/84/61/52/653846152.db2.gz CVSYSWZRZFDCFA-QMMMGPOBSA-N 1 0 378.230 2.352 20 0 GEADRO CC[C@@H]1CN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[C@H]1[NH3+] ZINC000883592543 653846464 /nfs/dbraw/zinc/84/64/64/653846464.db2.gz LBVIHNVXSBARCV-MWLCHTKSSA-N 1 0 397.273 2.371 20 0 GEADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592540 653846481 /nfs/dbraw/zinc/84/64/81/653846481.db2.gz LAAFUESEHPWMPF-SNVBAGLBSA-N 1 0 383.246 2.125 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593412 653846649 /nfs/dbraw/zinc/84/66/49/653846649.db2.gz IMCLCOGLKBWVHJ-UHFFFAOYSA-N 1 0 395.257 2.211 20 0 GEADRO C[C@@H]1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C[C@H]1C[NH3+] ZINC000883593452 653846783 /nfs/dbraw/zinc/84/67/83/653846783.db2.gz JRHHAPKZQKFMQL-NXEZZACHSA-N 1 0 397.273 2.229 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593667 653847020 /nfs/dbraw/zinc/84/70/20/653847020.db2.gz OQZODHRIKQPACW-UHFFFAOYSA-N 1 0 395.257 2.268 20 0 GEADRO CN(C(=O)c1cc(Br)cn2ncnc12)C(C)(C)C[NH+]1CCCC1 ZINC000822952023 653847057 /nfs/dbraw/zinc/84/70/57/653847057.db2.gz AAXLDVLMBZPIII-UHFFFAOYSA-N 1 0 380.290 2.438 20 0 GEADRO Nc1nc(-n2cccn2)cc(N2CCC[C@H]2c2ncc(Br)cn2)[nH+]1 ZINC000895714063 653847472 /nfs/dbraw/zinc/84/74/72/653847472.db2.gz QTNZZNKQGLJDLP-NSHDSACASA-N 1 0 387.245 2.139 20 0 GEADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000895768658 653849668 /nfs/dbraw/zinc/84/96/68/653849668.db2.gz JFZHIVQRPHDEMO-CZUORRHYSA-N 1 0 379.298 2.191 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2snc(Cl)c2Cl)CC1 ZINC000845471846 653850282 /nfs/dbraw/zinc/85/02/82/653850282.db2.gz NAOSHVTZMRDOSW-UHFFFAOYSA-N 1 0 379.313 2.122 20 0 GEADRO COCC1(c2nc(-c3cc(Br)c(O)c(OC)c3)no2)CC[NH2+]CC1 ZINC000823075769 653852756 /nfs/dbraw/zinc/85/27/56/653852756.db2.gz XCMDONOHYQMXBZ-UHFFFAOYSA-N 1 0 398.257 2.481 20 0 GEADRO C[C@H]([NH3+])[C@H](C)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000823116467 653854126 /nfs/dbraw/zinc/85/41/26/653854126.db2.gz VCBSJYZNYORPQB-YUMQZZPRSA-N 1 0 383.193 2.440 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000823132462 653855185 /nfs/dbraw/zinc/85/51/85/653855185.db2.gz FHQGELZGQFAFON-YPMHNXCESA-N 1 0 380.286 2.428 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000792995250 653859885 /nfs/dbraw/zinc/85/98/85/653859885.db2.gz JMGPYDTWXWPANI-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000823267207 653860049 /nfs/dbraw/zinc/86/00/49/653860049.db2.gz QWPSIBRGUWFFKO-ZDUSSCGKSA-N 1 0 385.965 2.103 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866985744 653860281 /nfs/dbraw/zinc/86/02/81/653860281.db2.gz LGZVJLNOOCFATO-CMPLNLGQSA-N 1 0 386.930 2.450 20 0 GEADRO CN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)[C@H]1CC[NH2+]C1 ZINC000884028563 653860952 /nfs/dbraw/zinc/86/09/52/653860952.db2.gz KHKRAEOXUDVCBU-VIFPVBQESA-N 1 0 384.665 2.117 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000884041720 653861357 /nfs/dbraw/zinc/86/13/57/653861357.db2.gz GUOSRXPQBNMIJD-UHFFFAOYSA-N 1 0 379.448 2.455 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)nc1Br ZINC000793006916 653861486 /nfs/dbraw/zinc/86/14/86/653861486.db2.gz OQJZJWKXKLLPEV-CYBMUJFWSA-N 1 0 397.317 2.424 20 0 GEADRO O=C1[C@@H](c2nc(N3CC[NH2+]CC3)no2)CCN1c1cc(Cl)ccc1Cl ZINC000823304449 653861873 /nfs/dbraw/zinc/86/18/73/653861873.db2.gz WVBXOMSYYUHZHD-LLVKDONJSA-N 1 0 382.251 2.307 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000884061939 653862129 /nfs/dbraw/zinc/86/21/29/653862129.db2.gz ZUELDCFRIITXCI-SECBINFHSA-N 1 0 375.782 2.263 20 0 GEADRO [NH3+][C@H](C(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC000884086901 653862804 /nfs/dbraw/zinc/86/28/04/653862804.db2.gz LELOIDCUMPTPPU-CABCVRRESA-N 1 0 379.258 2.463 20 0 GEADRO O=C(NCc1ccc(Br)s1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884088439 653862811 /nfs/dbraw/zinc/86/28/11/653862811.db2.gz JTULJKNFEWFATP-UHFFFAOYSA-N 1 0 381.299 2.245 20 0 GEADRO Brc1ccc(-c2cc(-c3nc(N4CC[NH2+]CC4)no3)n[nH]2)cc1 ZINC000823321108 653862896 /nfs/dbraw/zinc/86/28/96/653862896.db2.gz UINUKXBZMITQQD-UHFFFAOYSA-N 1 0 375.230 2.299 20 0 GEADRO O=C(NCc1cc(Br)cs1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884090351 653863111 /nfs/dbraw/zinc/86/31/11/653863111.db2.gz QVPTXNSCQIUJCC-UHFFFAOYSA-N 1 0 381.299 2.245 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000793047912 653864050 /nfs/dbraw/zinc/86/40/50/653864050.db2.gz ATNDOJCZAHUDCB-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@@H]1[C@H](COC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC[N@@H+]1C ZINC000845817159 653864555 /nfs/dbraw/zinc/86/45/55/653864555.db2.gz JBDTZWJSAMITBW-OLZOCXBDSA-N 1 0 386.901 2.231 20 0 GEADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000896104377 653864691 /nfs/dbraw/zinc/86/46/91/653864691.db2.gz FIHYUIBTLXYBOT-HOCLYGCPSA-N 1 0 393.281 2.227 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000793054845 653864745 /nfs/dbraw/zinc/86/47/45/653864745.db2.gz JDZGPMTZIGUIGJ-UHFFFAOYSA-N 1 0 397.317 2.425 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000884130649 653865341 /nfs/dbraw/zinc/86/53/41/653865341.db2.gz PLLQEHITRSLVPS-GOEBONIOSA-N 1 0 380.286 2.062 20 0 GEADRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000884162203 653866289 /nfs/dbraw/zinc/86/62/89/653866289.db2.gz YRNXCUOBRRKNMH-WFASDCNBSA-N 1 0 387.318 2.315 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cnn(C(C)C)c2Br)C[C@H]1[NH+](C)C ZINC000867019028 653866520 /nfs/dbraw/zinc/86/65/20/653866520.db2.gz FWBGMNMTVROQON-VXGBXAGGSA-N 1 0 375.336 2.344 20 0 GEADRO Cn1cc(C[C@@H]2CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)C2)cn1 ZINC000884231944 653868992 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CN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC([NH3+])C1 ZINC000884297975 653870843 /nfs/dbraw/zinc/87/08/43/653870843.db2.gz CEFMDDGBGHFGKI-UHFFFAOYSA-N 1 0 384.665 2.245 20 0 GEADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1nn2c(c1Br)CCC2 ZINC000884291514 653870868 /nfs/dbraw/zinc/87/08/68/653870868.db2.gz AGDFZHVWHLKTEL-UHFFFAOYSA-N 1 0 377.242 2.326 20 0 GEADRO [NH3+][C@@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000884317280 653871825 /nfs/dbraw/zinc/87/18/25/653871825.db2.gz QGQCUJGHMXHHNF-GOEBONIOSA-N 1 0 375.270 2.239 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC(N2CCCCC2=O)CC1)c1ccc(Br)cc1 ZINC000884318283 653872072 /nfs/dbraw/zinc/87/20/72/653872072.db2.gz RXCBMTIXUGMMGF-QGZVFWFLSA-N 1 0 394.313 2.452 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000884345574 653873495 /nfs/dbraw/zinc/87/34/95/653873495.db2.gz JEXWXPPPNKONLU-HNNXBMFYSA-N 1 0 381.318 2.442 20 0 GEADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867064152 653873600 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KBCUEWWLIKRTNN-UHFFFAOYSA-N 1 0 394.313 2.028 20 0 GEADRO Cc1ccc(CCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000896546957 653884700 /nfs/dbraw/zinc/88/47/00/653884700.db2.gz AUQYBGFNFVWRIR-RHSMWYFYSA-N 1 0 382.346 2.441 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c1 ZINC000824084908 653885672 /nfs/dbraw/zinc/88/56/72/653885672.db2.gz IAQXXRCIZQAZRT-GJZGRUSLSA-N 1 0 387.933 2.049 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000824094858 653885699 /nfs/dbraw/zinc/88/56/99/653885699.db2.gz MSCQPGUUWLLXAJ-BBWFWOEESA-N 1 0 394.313 2.369 20 0 GEADRO C[C@@H](NC(=O)c1c[nH]c2ccc(Br)cc12)[C@@H]1C[N@H+](C)CCN1C ZINC000896577106 653886527 /nfs/dbraw/zinc/88/65/27/653886527.db2.gz MUJIVIPTVSYVAF-BZNIZROVSA-N 1 0 379.302 2.295 20 0 GEADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000867172141 653888480 /nfs/dbraw/zinc/88/84/80/653888480.db2.gz PUJDLOPXBIIAMS-XMMPIXPASA-N 1 0 391.534 2.335 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H]4SCCS[C@H]34)C2)C1 ZINC000846157508 653888606 /nfs/dbraw/zinc/88/86/06/653888606.db2.gz DBARMXAMVWTPSK-NWHWRWDZSA-N 1 0 385.599 2.294 20 0 GEADRO O=C(NCCC[C@H]1CC1(Cl)Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000846175534 653888970 /nfs/dbraw/zinc/88/89/70/653888970.db2.gz PPYWINWZTDIGSH-NFOMZHRRSA-N 1 0 377.360 2.476 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000896658180 653889646 /nfs/dbraw/zinc/88/96/46/653889646.db2.gz PSJXNEIPVUERDI-VIFPVBQESA-N 1 0 378.258 2.029 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NCCC2(C[NH3+])CC2)c(Br)c1 ZINC000846182561 653890293 /nfs/dbraw/zinc/89/02/93/653890293.db2.gz NCBYHKADXVWJRG-UHFFFAOYSA-N 1 0 384.274 2.164 20 0 GEADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884823630 653890401 /nfs/dbraw/zinc/89/04/01/653890401.db2.gz YGVHVYGCYILBDP-UHFFFAOYSA-N 1 0 375.416 2.128 20 0 GEADRO COC(=O)c1cc(NCC[N@H+](C)CCO)c2cc(Br)ccc2n1 ZINC000884824704 653890454 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CC(C)OCC[NH+]1CCC(NC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896827184 653896144 /nfs/dbraw/zinc/89/61/44/653896144.db2.gz IPKJGVQUFZWCIA-UHFFFAOYSA-N 1 0 399.333 2.211 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CC1=O ZINC000846357407 653896154 /nfs/dbraw/zinc/89/61/54/653896154.db2.gz RLEMVJNVCRYIJF-UHFFFAOYSA-N 1 0 383.279 2.321 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000884956272 653897763 /nfs/dbraw/zinc/89/77/63/653897763.db2.gz ZHOLWAAQYZKYTA-NEPJUHHUSA-N 1 0 389.315 2.363 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884954928 653897860 /nfs/dbraw/zinc/89/78/60/653897860.db2.gz LZNNHWCGFYJPDN-STQMWFEESA-N 1 0 389.315 2.363 20 0 GEADRO Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1Br ZINC000884964227 653898826 /nfs/dbraw/zinc/89/88/26/653898826.db2.gz JYRWOKYXAJVGOL-CQSZACIVSA-N 1 0 396.329 2.268 20 0 GEADRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000884990967 653903533 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C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(N)nc(Br)c1 ZINC000824753734 653907552 /nfs/dbraw/zinc/90/75/52/653907552.db2.gz MKLPCFDXIDHCHZ-CYBMUJFWSA-N 1 0 397.317 2.142 20 0 GEADRO CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccns1 ZINC000885073536 653910394 /nfs/dbraw/zinc/91/03/94/653910394.db2.gz HDLPWPCSXWLVJJ-JKSUJKDBSA-N 1 0 386.587 2.101 20 0 GEADRO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC1(Br)CC1 ZINC000846808125 653910894 /nfs/dbraw/zinc/91/08/94/653910894.db2.gz WBPXQJIOXCTZQB-UHFFFAOYSA-N 1 0 376.339 2.398 20 0 GEADRO C[C@@]1(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C[NH+]2CCC1CC2 ZINC000824895315 653911293 /nfs/dbraw/zinc/91/12/93/653911293.db2.gz UYPRCGLNFQSQHX-SCLBCKFNSA-N 1 0 392.297 2.475 20 0 GEADRO COc1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1Br ZINC000824897211 653911677 /nfs/dbraw/zinc/91/16/77/653911677.db2.gz QXCIJXKDCHNGHK-UHFFFAOYSA-N 1 0 392.315 2.141 20 0 GEADRO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)C2CCOCC2)C1 ZINC000824904158 653912419 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Cc1[nH]nc(I)c1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000897390337 653918882 /nfs/dbraw/zinc/91/88/82/653918882.db2.gz YERYRWWNYAZTTP-UHFFFAOYSA-N 1 0 390.269 2.175 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000794841088 653921911 /nfs/dbraw/zinc/92/19/11/653921911.db2.gz LHGFOIPDSZUBIV-RBSFLKMASA-N 1 0 388.555 2.499 20 0 GEADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCSCCC(F)(F)F)CC1 ZINC000867388553 653926112 /nfs/dbraw/zinc/92/61/12/653926112.db2.gz PUCVICPOKROIHD-UHFFFAOYSA-N 1 0 383.480 2.121 20 0 GEADRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]21 ZINC000794986701 653926151 /nfs/dbraw/zinc/92/61/51/653926151.db2.gz LJKLESHBCAMJEI-HBYGRHMLSA-N 1 0 385.233 2.268 20 0 GEADRO Cn1cc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)c(Br)n1 ZINC000897542481 653926466 /nfs/dbraw/zinc/92/64/66/653926466.db2.gz VEWCEBLNQKLDCA-UHFFFAOYSA-N 1 0 396.276 2.475 20 0 GEADRO C[NH+]1CCC(CNC(=S)NCCCCn2cc(Br)cn2)CC1 ZINC000794991333 653926545 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Cc1[nH]nc(I)c1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000897607516 653930160 /nfs/dbraw/zinc/93/01/60/653930160.db2.gz CQTUHTGLFQDUFU-JTQLQIEISA-N 1 0 390.269 2.173 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897617538 653930767 /nfs/dbraw/zinc/93/07/67/653930767.db2.gz RSVJCXVITHUABG-HEHGZKQESA-N 1 0 383.261 2.281 20 0 GEADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cnc(F)c(Br)c1 ZINC000847510541 653931749 /nfs/dbraw/zinc/93/17/49/653931749.db2.gz XMBQRFORRZTUBA-NSHDSACASA-N 1 0 386.265 2.214 20 0 GEADRO Cc1cc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)cnc1Br ZINC000825513108 653932000 /nfs/dbraw/zinc/93/20/00/653932000.db2.gz PRUIVWCMUVDKNM-UHFFFAOYSA-N 1 0 384.318 2.365 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000885459544 653933403 /nfs/dbraw/zinc/93/34/03/653933403.db2.gz JRFBVSUQZBWLGF-OLZOCXBDSA-N 1 0 386.901 2.374 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000825625168 653935631 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O=S(=O)(CC[NH2+]Cc1cnc(CCc2ccccc2)s1)N1CCCC1 ZINC000897829906 653939239 /nfs/dbraw/zinc/93/92/39/653939239.db2.gz IQOZOSQLDMDVRC-UHFFFAOYSA-N 1 0 379.551 2.444 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897847036 653940106 /nfs/dbraw/zinc/94/01/06/653940106.db2.gz QAVLYQLCHQWMGQ-WKPIXPDZSA-N 1 0 381.270 2.082 20 0 GEADRO CN1CCN(CC2=Cc3cc(Br)ccc3OC2)CC[N@H+](C)CC1 ZINC000897854768 653940515 /nfs/dbraw/zinc/94/05/15/653940515.db2.gz KRYHYGNKJDMMOU-UHFFFAOYSA-N 1 0 380.330 2.404 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](CCO)C2CCCC2)cc1Br ZINC000897882693 653941677 /nfs/dbraw/zinc/94/16/77/653941677.db2.gz OSTQAEFMWOSUPS-CQSZACIVSA-N 1 0 391.331 2.127 20 0 GEADRO O=C(N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000825841810 653942138 /nfs/dbraw/zinc/94/21/38/653942138.db2.gz PROPAWPDBUNEHO-CQSZACIVSA-N 1 0 380.773 2.104 20 0 GEADRO CC(C)C[C@H](CNC(=O)Cc1ccccc1S(=O)(=O)C(F)F)[NH+](C)C ZINC000825886319 653943098 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2.029 20 0 GEADRO Cn1cc([C@]2(C[NH2+]Cc3cnn4cc(Br)cnc34)CCCO2)cn1 ZINC000898053022 653951270 /nfs/dbraw/zinc/95/12/70/653951270.db2.gz QFYBXJATTXXTSF-MRXNPFEDSA-N 1 0 391.273 2.021 20 0 GEADRO C[NH+](C)CCOC1CCN(CN2Cc3cccc(Br)c3C2=O)CC1 ZINC000795428665 653951996 /nfs/dbraw/zinc/95/19/96/653951996.db2.gz QNAJMOLSVJNGSV-UHFFFAOYSA-N 1 0 396.329 2.405 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898114023 653954008 /nfs/dbraw/zinc/95/40/08/653954008.db2.gz RMEKBRHDDXLMNK-UHFFFAOYSA-N 1 0 382.302 2.119 20 0 GEADRO O=c1cc(N2CC[C@H]([NH2+]Cc3cccc(I)c3)C2)nc[nH]1 ZINC000898153585 653955812 /nfs/dbraw/zinc/95/58/12/653955812.db2.gz YZKHBCJGZFXPFD-ZDUSSCGKSA-N 1 0 396.232 2.155 20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ncccc1Br ZINC000885848623 653959754 /nfs/dbraw/zinc/95/97/54/653959754.db2.gz YPKTYMHQDWMCDT-GFCCVEGCSA-N 1 0 397.298 2.139 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]Cc3cnc4n3CCOC4)cnc12 ZINC000898267739 653960800 /nfs/dbraw/zinc/96/08/00/653960800.db2.gz PKEGLICGXFEVCS-UHFFFAOYSA-N 1 0 376.258 2.422 20 0 GEADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc2c(cc1Br)OCO2 ZINC000885890878 653962092 /nfs/dbraw/zinc/96/20/92/653962092.db2.gz KYJPMUHHACKAKY-GFCCVEGCSA-N 1 0 397.269 2.161 20 0 GEADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CN1c2cccc(Br)c2C(=O)C1=O ZINC000795700407 653963493 /nfs/dbraw/zinc/96/34/93/653963493.db2.gz BQSFTNXLCAYKJP-CHWSQXEVSA-N 1 0 392.297 2.495 20 0 GEADRO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1(Br)Br ZINC000826868857 653963591 /nfs/dbraw/zinc/96/35/91/653963591.db2.gz XRJXPZZAYIXIQF-ZYHUDNBSSA-N 1 0 380.124 2.483 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c(F)cc1Cl ZINC000795791879 653966712 /nfs/dbraw/zinc/96/67/12/653966712.db2.gz NZFJGONOJZGKAX-LLVKDONJSA-N 1 0 392.880 2.418 20 0 GEADRO Cc1n[nH]c(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)c1C ZINC000886114260 653967359 /nfs/dbraw/zinc/96/73/59/653967359.db2.gz LBNNRVRYNHEQDW-UHFFFAOYSA-N 1 0 377.297 2.401 20 0 GEADRO 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COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000886904389 654008889 /nfs/dbraw/zinc/00/88/89/654008889.db2.gz YDHPAPKOUONBSC-LXZKKBNFSA-N 1 0 388.302 2.220 20 0 GEADRO COC[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000886904390 654008895 /nfs/dbraw/zinc/00/88/95/654008895.db2.gz YDHPAPKOUONBSC-QRTARXTBSA-N 1 0 388.302 2.220 20 0 GEADRO CO[C@@H](C)c1noc(CN(C)C(=O)[C@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867956340 654010399 /nfs/dbraw/zinc/01/03/99/654010399.db2.gz NQXWUUUEWFCLEX-TVQRCGJNSA-N 1 0 383.246 2.198 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C)C1CCC([NH3+])CC1)c1cccc(Br)c1 ZINC000867961508 654011150 /nfs/dbraw/zinc/01/11/50/654011150.db2.gz XJJFEUIOTVFOMK-UYSNPLJNSA-N 1 0 382.302 2.355 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1cccc(Br)c1 ZINC000867971578 654011909 /nfs/dbraw/zinc/01/19/09/654011909.db2.gz RYBSRJBHQOMMFU-WVATUKLVSA-N 1 0 382.302 2.129 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccc(Br)c1 ZINC000867971604 654011932 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C[C@@](O)(C[NH2+]Cc1ccc(CS(C)(=O)=O)cc1)C(F)(F)C(F)(F)F ZINC000899873945 654035145 /nfs/dbraw/zinc/03/51/45/654035145.db2.gz WMONOTPBXMIWGL-GFCCVEGCSA-N 1 0 375.359 2.269 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H](O)CC2(O)CCCC2)nn1)c1ccc(Br)cc1 ZINC000887453646 654035477 /nfs/dbraw/zinc/03/54/77/654035477.db2.gz DZWNXFMSJIZCAL-ZBFHGGJFSA-N 1 0 395.301 2.145 20 0 GEADRO CCOC(=O)CS[C@H](CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)C(F)(F)F ZINC000828503901 654038029 /nfs/dbraw/zinc/03/80/29/654038029.db2.gz KYKHTMFGJPSGER-QWHCGFSZSA-N 1 0 382.448 2.347 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)ncc3Br)[C@@H]2C1 ZINC000868521060 654041196 /nfs/dbraw/zinc/04/11/96/654041196.db2.gz PRFDFZGRGVPBSW-LDYMZIIASA-N 1 0 389.091 2.383 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(Br)n(C)n1 ZINC000828554942 654041752 /nfs/dbraw/zinc/04/17/52/654041752.db2.gz IFLZPGCCTDTJTD-SWLSCSKDSA-N 1 0 377.286 2.433 20 0 GEADRO CN(C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Br)nc1 ZINC000849551801 654046269 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391.335 2.203 20 0 GEADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc2ncc(Br)cn2n1 ZINC000900274455 654057388 /nfs/dbraw/zinc/05/73/88/654057388.db2.gz POMNMSIRCUPPRY-UHFFFAOYSA-N 1 0 378.274 2.096 20 0 GEADRO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1cc2c(cc1Br)OCCO2 ZINC000900285740 654057696 /nfs/dbraw/zinc/05/76/96/654057696.db2.gz BGMSSDWTKFXSMN-LLVKDONJSA-N 1 0 381.270 2.493 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000887936719 654059333 /nfs/dbraw/zinc/05/93/33/654059333.db2.gz UUSHGGXMAOYUHM-DOMZBBRYSA-N 1 0 376.400 2.004 20 0 GEADRO C[C@@H](CC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)n1cc(Br)cn1 ZINC000829228137 654062731 /nfs/dbraw/zinc/06/27/31/654062731.db2.gz LMLQCCXRWWEUTQ-AWEZNQCLSA-N 1 0 399.333 2.168 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000900464205 654065603 /nfs/dbraw/zinc/06/56/03/654065603.db2.gz IVKDJMWUUFWANG-SJLPKXTDSA-N 1 0 397.313 2.196 20 0 GEADRO Cc1nn(C(C)C)cc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000798492729 654066480 /nfs/dbraw/zinc/06/64/80/654066480.db2.gz GLIPNFQYVCFFCN-UHFFFAOYSA-N 1 0 382.452 2.424 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]C[C@](O)(c1nccn1C)C(F)(F)F ZINC000850135686 654066995 /nfs/dbraw/zinc/06/69/95/654066995.db2.gz UWBXZSZSRUTJRC-ZDUSSCGKSA-N 1 0 393.207 2.426 20 0 GEADRO Cc1c(Br)cncc1C[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000850135682 654067062 /nfs/dbraw/zinc/06/70/62/654067062.db2.gz UWBXZSZSRUTJRC-CYBMUJFWSA-N 1 0 393.207 2.426 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900502877 654067527 /nfs/dbraw/zinc/06/75/27/654067527.db2.gz XKPZOPHCBJCYDQ-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO C[NH+]1CCC(NCc2cn(Cc3cc(F)ccc3Br)nn2)CC1 ZINC000900524645 654068681 /nfs/dbraw/zinc/06/86/81/654068681.db2.gz OWLNSAHSPBZNJD-UHFFFAOYSA-N 1 0 382.281 2.412 20 0 GEADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cc(Br)nn1C ZINC000888213317 654070779 /nfs/dbraw/zinc/07/07/79/654070779.db2.gz QOBABNRSTOLAOG-NSHDSACASA-N 1 0 379.262 2.320 20 0 GEADRO NS(=O)(=O)c1cc(Cl)cc(COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000798660988 654072650 /nfs/dbraw/zinc/07/26/50/654072650.db2.gz AFSDPMWOIMWFNZ-INIZCTEOSA-N 1 0 386.901 2.438 20 0 GEADRO COc1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)ccc1OC(F)F ZINC000850363974 654073013 /nfs/dbraw/zinc/07/30/13/654073013.db2.gz MFUVEAXFUZEDRT-UHFFFAOYSA-N 1 0 377.331 2.363 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000900613116 654073070 /nfs/dbraw/zinc/07/30/70/654073070.db2.gz ILAZTSJNDOODDQ-ZDUSSCGKSA-N 1 0 393.329 2.225 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000850378860 654074151 /nfs/dbraw/zinc/07/41/51/654074151.db2.gz ASJYLMWVUWEYKZ-IACUBPJLSA-N 1 0 375.922 2.252 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900644423 654074308 /nfs/dbraw/zinc/07/43/08/654074308.db2.gz HWNWQVLNAXBVFY-UHFFFAOYSA-N 1 0 380.290 2.486 20 0 GEADRO C[C@H](C[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)S(C)(=O)=O ZINC000850447079 654077306 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CC[C@H](C)CC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850505593 654080079 /nfs/dbraw/zinc/08/00/79/654080079.db2.gz SZHCCFURVIICJM-UONOGXRCSA-N 1 0 376.544 2.499 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000850505341 654080123 /nfs/dbraw/zinc/08/01/23/654080123.db2.gz BGGAVDLSNXHSFE-LLVKDONJSA-N 1 0 383.290 2.080 20 0 GEADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1(n2cc(Br)cn2)CC1 ZINC000829792370 654080181 /nfs/dbraw/zinc/08/01/81/654080181.db2.gz XDVSTMLDUYMCSZ-ZDUSSCGKSA-N 1 0 390.285 2.267 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1C ZINC000900798995 654080721 /nfs/dbraw/zinc/08/07/21/654080721.db2.gz GIASPISYDDJZBT-DGCLKSJQSA-N 1 0 387.311 2.449 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc(N2CCOCC2)c1 ZINC000850518556 654081175 /nfs/dbraw/zinc/08/11/75/654081175.db2.gz BBOPVHSEHSUDQI-ZDUSSCGKSA-N 1 0 380.432 2.151 20 0 GEADRO Cc1ccc(OCCC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000900802049 654081208 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CC(C)[C@@H]1CN(C(=O)c2cnn(C(C)C)c2I)CC[NH2+]1 ZINC000869331799 654087665 /nfs/dbraw/zinc/08/76/65/654087665.db2.gz YHPNRRNJPXYUKH-LBPRGKRZSA-N 1 0 390.269 2.139 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850653699 654090774 /nfs/dbraw/zinc/09/07/74/654090774.db2.gz BVJPDBLANTYIAZ-GFCCVEGCSA-N 1 0 395.301 2.306 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cnc(Cl)c(Br)c1 ZINC000830002172 654091210 /nfs/dbraw/zinc/09/12/10/654091210.db2.gz DNNCLADDTDVCAN-NWDGAFQWSA-N 1 0 394.722 2.403 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)nc1Br ZINC000850667891 654092447 /nfs/dbraw/zinc/09/24/47/654092447.db2.gz YFKPWRKIVONDGX-CYBMUJFWSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000850666907 654092569 /nfs/dbraw/zinc/09/25/69/654092569.db2.gz NTXXFWOFPAQSTK-LBPRGKRZSA-N 1 0 397.317 2.328 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc2c(Br)cnn2c1 ZINC000830020326 654092775 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20 0 GEADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cn(C)nc1Br ZINC000888821767 654106692 /nfs/dbraw/zinc/10/66/92/654106692.db2.gz VXCAMKHKQSFOIU-LLVKDONJSA-N 1 0 379.262 2.320 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1c[nH]nc1Cl ZINC000830231802 654107213 /nfs/dbraw/zinc/10/72/13/654107213.db2.gz XQUKKSSBYDXKEN-UHFFFAOYSA-N 1 0 377.297 2.469 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1c[nH]nc1Cl ZINC000830231561 654107371 /nfs/dbraw/zinc/10/73/71/654107371.db2.gz JAFPHPCKTOHWSG-UHFFFAOYSA-N 1 0 378.832 2.094 20 0 GEADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000850829338 654108506 /nfs/dbraw/zinc/10/85/06/654108506.db2.gz IVWBFBPGPGYISU-ZDUSSCGKSA-N 1 0 395.301 2.021 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000901103122 654108787 /nfs/dbraw/zinc/10/87/87/654108787.db2.gz BHIYSPFYTKBTIO-FZMZJTMJSA-N 1 0 385.295 2.061 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4ncc(Br)cn4n3)CC[C@H]21 ZINC000901106551 654109198 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CN1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC[N@H+](C)CC1 ZINC000888988295 654118691 /nfs/dbraw/zinc/11/86/91/654118691.db2.gz JIYKSPBBJGBKAI-UHFFFAOYSA-N 1 0 393.329 2.179 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cn(-c2ccccc2Br)nn1 ZINC000917293418 654118892 /nfs/dbraw/zinc/11/88/92/654118892.db2.gz XWOCBUBJMQWLOK-QWHCGFSZSA-N 1 0 390.285 2.386 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000869776549 654122004 /nfs/dbraw/zinc/12/20/04/654122004.db2.gz MPROZKGFVIWGNZ-KBPBESRZSA-N 1 0 397.313 2.277 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cnc2Cl)C1 ZINC000869781359 654123791 /nfs/dbraw/zinc/12/37/91/654123791.db2.gz MOOWXNLPUPFFED-JTQLQIEISA-N 1 0 376.682 2.073 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000917553342 654127478 /nfs/dbraw/zinc/12/74/78/654127478.db2.gz NLUMWXYWFUBMHS-UHFFFAOYSA-N 1 0 378.897 2.134 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000917544346 654127570 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GEADRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000830674492 654135336 /nfs/dbraw/zinc/13/53/36/654135336.db2.gz NWASHNASAQAQAL-OCCSQVGLSA-N 1 0 395.219 2.483 20 0 GEADRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000800308985 654140216 /nfs/dbraw/zinc/14/02/16/654140216.db2.gz AJCJLXNLPOTDAO-ZIAGYGMSSA-N 1 0 382.555 2.424 20 0 GEADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000830786971 654142231 /nfs/dbraw/zinc/14/22/31/654142231.db2.gz KWYGOUZYVXODAG-UHFFFAOYSA-N 1 0 384.727 2.460 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C1CCS(=O)(=O)CC1 ZINC000800495475 654147109 /nfs/dbraw/zinc/14/71/09/654147109.db2.gz AYMKXRBRSNQXJH-ABAIWWIYSA-N 1 0 376.316 2.285 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3COc4cc(F)c(Br)cc43)CC2)N1 ZINC000800539817 654148612 /nfs/dbraw/zinc/14/86/12/654148612.db2.gz NVFGAUBDXVHTEF-ADOSGYPWSA-N 1 0 398.232 2.132 20 0 GEADRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3cc4nc(Cl)ncc4s3)C[C@]2(C)C1 ZINC000918369136 654149728 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COc1cc(Br)ccc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889769873 654171203 /nfs/dbraw/zinc/17/12/03/654171203.db2.gz ODLUGOPJKKXQJG-LSDHHAIUSA-N 1 0 383.286 2.129 20 0 GEADRO O=C(CCOc1ccccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889774849 654171720 /nfs/dbraw/zinc/17/17/20/654171720.db2.gz RNLVNXRCPBXZNP-CVEARBPZSA-N 1 0 397.313 2.276 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000851736551 654173175 /nfs/dbraw/zinc/17/31/75/654173175.db2.gz LNMLXXPUNIHHGI-OAHLLOKOSA-N 1 0 377.809 2.442 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000801046783 654175494 /nfs/dbraw/zinc/17/54/94/654175494.db2.gz SHQVPLYCOWFSBW-WCXIOVBPSA-N 1 0 385.599 2.120 20 0 GEADRO C[C@H](C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000889812220 654175492 /nfs/dbraw/zinc/17/54/92/654175492.db2.gz SSVHOIWOAGCYLW-DEKYYXRVSA-N 1 0 395.301 2.085 20 0 GEADRO Cc1nc(Br)sc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000831272674 654175977 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C[C@H]1CN(CCn2cnc(Br)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000851848188 654190988 /nfs/dbraw/zinc/19/09/88/654190988.db2.gz JUHVZRRXCQLGMW-RYUDHWBXSA-N 1 0 388.310 2.276 20 0 GEADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(Br)n(C)n2)cc1 ZINC000831572887 654192180 /nfs/dbraw/zinc/19/21/80/654192180.db2.gz WYPDOXWKDPSTHQ-AWEZNQCLSA-N 1 0 381.274 2.224 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cnc(Cl)c(F)c1 ZINC000851856495 654192420 /nfs/dbraw/zinc/19/24/20/654192420.db2.gz SEXBQSANMLWEFR-UHFFFAOYSA-N 1 0 376.841 2.017 20 0 GEADRO O=C(c1cccnc1I)N1CCC2(CC[NH2+]CC2)CC1 ZINC000831616817 654194035 /nfs/dbraw/zinc/19/40/35/654194035.db2.gz QXJHCYWLMIWYIB-UHFFFAOYSA-N 1 0 385.249 2.292 20 0 GEADRO COc1ncc(Br)cc1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000851873258 654196473 /nfs/dbraw/zinc/19/64/73/654196473.db2.gz UKYUPEMXXRTZCT-KRWDZBQOSA-N 1 0 397.361 2.453 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ncc(I)s1 ZINC000902825770 654199171 /nfs/dbraw/zinc/19/91/71/654199171.db2.gz BICSEMCVEPQYRB-DTWKUNHWSA-N 1 0 377.251 2.056 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CCO1 ZINC000851884113 654200190 /nfs/dbraw/zinc/20/01/90/654200190.db2.gz AMBARAIDXCXVKK-LLVKDONJSA-N 1 0 382.313 2.120 20 0 GEADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(F)c2Br)CC[N@@H+]1C ZINC000890170604 654201605 /nfs/dbraw/zinc/20/16/05/654201605.db2.gz BHVMLRJLADMSCC-QWRGUYRKSA-N 1 0 386.265 2.468 20 0 GEADRO [NH3+][C@H]1CC[C@@H](C(=O)NCCCNC(=O)c2cccc(Br)c2)CC1 ZINC000870877320 654201911 /nfs/dbraw/zinc/20/19/11/654201911.db2.gz NWPNMDDWZOAHDM-JNSHFYNHSA-N 1 0 382.302 2.203 20 0 GEADRO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870876391 654202000 /nfs/dbraw/zinc/20/20/00/654202000.db2.gz NXXKRCDVMWJQIV-HIFRSBDPSA-N 1 0 382.302 2.214 20 0 GEADRO CC(C)C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)C1CCOCC1 ZINC000902886294 654202383 /nfs/dbraw/zinc/20/23/83/654202383.db2.gz MNSKZMPBZXTASE-HZPDHXFCSA-N 1 0 375.556 2.314 20 0 GEADRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1cccc(N2CCOC2=O)c1 ZINC000851896201 654202959 /nfs/dbraw/zinc/20/29/59/654202959.db2.gz BXSVCXIXRVAAON-LLVKDONJSA-N 1 0 380.246 2.348 20 0 GEADRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccc(N2CCOC2=O)cc1 ZINC000851898582 654203532 /nfs/dbraw/zinc/20/35/32/654203532.db2.gz QHBHOQHXUNQCGM-LLVKDONJSA-N 1 0 380.246 2.348 20 0 GEADRO CCO[C@@H](CNC(=O)c1cc(I)ccc1F)C[NH+](C)C ZINC000831737900 654204962 /nfs/dbraw/zinc/20/49/62/654204962.db2.gz NFNVQWLTKNDHPL-NSHDSACASA-N 1 0 394.228 2.127 20 0 GEADRO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000870889737 654205187 /nfs/dbraw/zinc/20/51/87/654205187.db2.gz ASGBLZGBYLILLD-MLGOLLRUSA-N 1 0 382.302 2.300 20 0 GEADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCn2cnc(Br)n2)C1 ZINC000851912804 654205479 /nfs/dbraw/zinc/20/54/79/654205479.db2.gz SCOOQBQRLMOBHH-RYUDHWBXSA-N 1 0 388.310 2.276 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cscc1C(F)F)C2 ZINC000920266482 654206902 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LYCSDJNYZZLXII-KANYHAFZSA-N 1 0 377.242 2.243 20 0 GEADRO CCS(=O)(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000903004400 654208964 /nfs/dbraw/zinc/20/89/64/654208964.db2.gz JZSANANYOSWGRR-UHFFFAOYSA-N 1 0 391.331 2.232 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCCC(C)(F)F)C2)[C@H]1C(C)C ZINC000920311346 654209674 /nfs/dbraw/zinc/20/96/74/654209674.db2.gz VTJUJEJTQPQNDR-KCYZZUKISA-N 1 0 382.517 2.211 20 0 GEADRO C[NH2+]CC1CCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000870937067 654209561 /nfs/dbraw/zinc/20/95/61/654209561.db2.gz SQSXLMLKLCSFNV-INIZCTEOSA-N 1 0 382.302 2.084 20 0 GEADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NCC3SCCS3)cc2)CC1 ZINC000851973796 654210347 /nfs/dbraw/zinc/21/03/47/654210347.db2.gz KATBUKDDWMEAOU-UHFFFAOYSA-N 1 0 380.583 2.039 20 0 GEADRO CC[C@@H]1CN(C(=O)c2cnn(C(C)C)c2I)CC[C@H]1[NH3+] ZINC000870940739 654210425 /nfs/dbraw/zinc/21/04/25/654210425.db2.gz NRSOICHVSVDSEO-ZYHUDNBSSA-N 1 0 390.269 2.268 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000851997566 654211579 /nfs/dbraw/zinc/21/15/79/654211579.db2.gz LIIVGXSZHPFWPO-UHFFFAOYSA-N 1 0 384.322 2.434 20 0 GEADRO C[N@H+](CCNC(=O)N1CCn2ncc(Br)c2C1)Cc1ccccc1 ZINC000852005040 654212175 /nfs/dbraw/zinc/21/21/75/654212175.db2.gz NAENWHIPTQHEKP-UHFFFAOYSA-N 1 0 392.301 2.303 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1I ZINC000870945616 654212437 /nfs/dbraw/zinc/21/24/37/654212437.db2.gz LSJSFTVMYIVZPY-WDEREUQCSA-N 1 0 390.269 2.126 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000870951699 654213846 /nfs/dbraw/zinc/21/38/46/654213846.db2.gz COVTVGUKBRXOLI-UHFFFAOYSA-N 1 0 399.333 2.416 20 0 GEADRO CC(C)n1ncc(C(=O)NCC2([NH3+])CCCC2)c1I ZINC000870953528 654214335 /nfs/dbraw/zinc/21/43/35/654214335.db2.gz CSZOGYUSIXPYAS-UHFFFAOYSA-N 1 0 376.242 2.070 20 0 GEADRO CCC[NH+]1CCC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000920507422 654214485 /nfs/dbraw/zinc/21/44/85/654214485.db2.gz RXBKBCZDALEXGU-UHFFFAOYSA-N 1 0 384.322 2.308 20 0 GEADRO Brc1ncn(CCN2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000852037403 654214557 /nfs/dbraw/zinc/21/45/57/654214557.db2.gz QBRPNKGDMSWPCR-UHFFFAOYSA-N 1 0 387.285 2.411 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000890319008 654214806 /nfs/dbraw/zinc/21/48/06/654214806.db2.gz DLFBYTHGRZXRKU-LLVKDONJSA-N 1 0 386.265 2.468 20 0 GEADRO FC(F)(F)c1cc(Cl)c2nnc(C[NH2+][C@@H]3CCO[C@]34CCOC4)n2c1 ZINC000903066442 654214947 /nfs/dbraw/zinc/21/49/47/654214947.db2.gz JKOMVUFNRXIOKL-RISCZKNCSA-N 1 0 376.766 2.439 20 0 GEADRO NC(=O)[C@@](O)(C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000852041260 654215021 /nfs/dbraw/zinc/21/50/21/654215021.db2.gz NUBOJUOKHRTJGI-FUHWJXTLSA-N 1 0 383.275 2.380 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000870969209 654214897 /nfs/dbraw/zinc/21/48/97/654214897.db2.gz CBVBARPQXQVHBO-YGUOUDRMSA-N 1 0 394.313 2.155 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000870996004 654215168 /nfs/dbraw/zinc/21/51/68/654215168.db2.gz XJBJPOLIZOHGKO-QGZVFWFLSA-N 1 0 387.933 2.085 20 0 GEADRO COC[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1cccc(Br)c1 ZINC000871009101 654215881 /nfs/dbraw/zinc/21/58/81/654215881.db2.gz BRTNPSJFQMZXLA-MLGOLLRUSA-N 1 0 393.285 2.367 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000903095316 654216355 /nfs/dbraw/zinc/21/63/55/654216355.db2.gz UVFDLQJGCYTNFE-UHFFFAOYSA-N 1 0 397.950 2.445 20 0 GEADRO C[N@H+](CCc1cccc(Br)c1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852072840 654216469 /nfs/dbraw/zinc/21/64/69/654216469.db2.gz KMSWMPKSKADMCO-SFHVURJKSA-N 1 0 377.282 2.297 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903104335 654216788 /nfs/dbraw/zinc/21/67/88/654216788.db2.gz SONBRCVJTAVRPG-IINYFYTJSA-N 1 0 377.388 2.098 20 0 GEADRO C[NH+](C)C1(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000852128685 654219880 /nfs/dbraw/zinc/21/98/80/654219880.db2.gz WKOVTNQCMPCCMF-OAHLLOKOSA-N 1 0 390.311 2.437 20 0 GEADRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903147587 654221622 /nfs/dbraw/zinc/22/16/22/654221622.db2.gz LJRUCAYMLYUCLZ-XHDPSFHLSA-N 1 0 381.416 2.418 20 0 GEADRO C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000903156163 654222109 /nfs/dbraw/zinc/22/21/09/654222109.db2.gz OOQZMRMIFVMRGJ-DNOWBOINSA-N 1 0 391.530 2.483 20 0 GEADRO C[C@H](CNC(=O)N1CCn2ncc(Br)c2C1)C[NH+]1CCCCC1 ZINC000852184536 654223968 /nfs/dbraw/zinc/22/39/68/654223968.db2.gz FARHTRJJUKVNBD-CYBMUJFWSA-N 1 0 384.322 2.293 20 0 GEADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000903172796 654224116 /nfs/dbraw/zinc/22/41/16/654224116.db2.gz FHATYGPRBFHIPB-LSDHHAIUSA-N 1 0 380.432 2.278 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cnc(Br)n1 ZINC000852189932 654224588 /nfs/dbraw/zinc/22/45/88/654224588.db2.gz CZJOFJXLFPBFGO-VXGBXAGGSA-N 1 0 388.310 2.466 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903224551 654227978 /nfs/dbraw/zinc/22/79/78/654227978.db2.gz YENOGSLYGFLLEO-PBOSXPJTSA-N 1 0 379.400 2.435 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000871361235 654228739 /nfs/dbraw/zinc/22/87/39/654228739.db2.gz GDQFIHALBYKJFC-UHFFFAOYSA-N 1 0 391.896 2.119 20 0 GEADRO CC[C@H]([NH2+]CCN1CCCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903229003 654229365 /nfs/dbraw/zinc/22/93/65/654229365.db2.gz VHMFFSHZXQNTKR-INIZCTEOSA-N 1 0 389.949 2.011 20 0 GEADRO CCNS(=O)(=O)c1cccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)c1 ZINC000903234306 654230810 /nfs/dbraw/zinc/23/08/10/654230810.db2.gz MCQFHEUPDNPUQW-UHFFFAOYSA-N 1 0 380.432 2.310 20 0 GEADRO CN(C)c1cc[nH+]c(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000921025407 654232659 /nfs/dbraw/zinc/23/26/59/654232659.db2.gz PZZSICFJNJQORT-UHFFFAOYSA-N 1 0 375.372 2.367 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000871398057 654233664 /nfs/dbraw/zinc/23/36/64/654233664.db2.gz ARTLFSBJNLCXGB-JCNLHEQBSA-N 1 0 384.567 2.183 20 0 GEADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000852349329 654234974 /nfs/dbraw/zinc/23/49/74/654234974.db2.gz GIFRWIAUXSLNLP-UNEWFSDZSA-N 1 0 375.918 2.269 20 0 GEADRO CO[C@]1(C[NH2+][C@H](C)Cc2ccc(Br)cc2)CCS(=O)(=O)C1 ZINC000903365403 654235598 /nfs/dbraw/zinc/23/55/98/654235598.db2.gz NAICTXGBSBTUKU-DOMZBBRYSA-N 1 0 376.316 2.173 20 0 GEADRO CO[C@]1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CCS(=O)(=O)C1 ZINC000903369635 654237041 /nfs/dbraw/zinc/23/70/41/654237041.db2.gz YZNOWLBWCKKAPW-GJZGRUSLSA-N 1 0 392.290 2.369 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2Cl)CCS(=O)(=O)C1 ZINC000903369059 654237195 /nfs/dbraw/zinc/23/71/95/654237195.db2.gz SERGIMVGDQXSLI-SUMWQHHRSA-N 1 0 388.917 2.159 20 0 GEADRO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903386850 654237398 /nfs/dbraw/zinc/23/73/98/654237398.db2.gz BNCJZGLNEHCAEG-CABCVRRESA-N 1 0 387.933 2.300 20 0 GEADRO O=c1ccn(CCC[NH2+][C@H](c2nc(Br)cs2)C2CC2)c(=O)[nH]1 ZINC000903428317 654238900 /nfs/dbraw/zinc/23/89/00/654238900.db2.gz GKOUOYVTLSTXLS-LBPRGKRZSA-N 1 0 385.287 2.299 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CN1Cc2ccc(Br)cc2C1=O ZINC000802739739 654239374 /nfs/dbraw/zinc/23/93/74/654239374.db2.gz XSHIWKBZTBRRCY-ZDUSSCGKSA-N 1 0 396.329 2.139 20 0 GEADRO COC(=O)c1cncc([C@@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000903479168 654240379 /nfs/dbraw/zinc/24/03/79/654240379.db2.gz JQXSQOUZLFLLFY-ZWNOBZJWSA-N 1 0 379.258 2.493 20 0 GEADRO Brc1ccccc1-n1nnnc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903484812 654240796 /nfs/dbraw/zinc/24/07/96/654240796.db2.gz WCKAAIGTVSYQPD-AWEZNQCLSA-N 1 0 377.290 2.189 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000903517877 654246529 /nfs/dbraw/zinc/24/65/29/654246529.db2.gz HBPKVYFXGVGLRA-HNNXBMFYSA-N 1 0 391.306 2.494 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000890883305 654246934 /nfs/dbraw/zinc/24/69/34/654246934.db2.gz QQDDOAWLFGGTDI-UHFFFAOYSA-N 1 0 395.305 2.085 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c1F ZINC000903518974 654247344 /nfs/dbraw/zinc/24/73/44/654247344.db2.gz TUZQCRSTUOSIRB-AWEZNQCLSA-N 1 0 395.294 2.265 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000832217463 654247834 /nfs/dbraw/zinc/24/78/34/654247834.db2.gz HQHUXUPOSPDCPM-GFCCVEGCSA-N 1 0 378.274 2.101 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccs1 ZINC000871626045 654247874 /nfs/dbraw/zinc/24/78/74/654247874.db2.gz VGKUKBZKGXBFDD-DKUMPPAJSA-N 1 0 385.555 2.006 20 0 GEADRO CN1CCN(C[C@](C)(O)c2ccc(Br)cc2Cl)CCC1=O ZINC000852578001 654248185 /nfs/dbraw/zinc/24/81/85/654248185.db2.gz NVKWXPOHLPPQIZ-HNNXBMFYSA-N 1 0 375.694 2.474 20 0 GEADRO O=C(N1CCC[C@H](C2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C1)C(F)(F)F ZINC000852600045 654248615 /nfs/dbraw/zinc/24/86/15/654248615.db2.gz BXJSHDQYLSAWMY-NWDGAFQWSA-N 1 0 376.341 2.423 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)C[C@@H]1C(F)(F)F ZINC000871672832 654250720 /nfs/dbraw/zinc/25/07/20/654250720.db2.gz AETZVJNDKZZEIP-IUCAKERBSA-N 1 0 393.207 2.326 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903536058 654251030 /nfs/dbraw/zinc/25/10/30/654251030.db2.gz ADXZFDHPUOQFAD-NHYWBVRUSA-N 1 0 389.315 2.350 20 0 GEADRO [NH3+][C@H]1CN(CC(=O)NCCOc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000903535163 654251066 /nfs/dbraw/zinc/25/10/66/654251066.db2.gz MPFXNTMADPZKFE-KGLIPLIRSA-N 1 0 379.810 2.047 20 0 GEADRO [NH3+][C@@H]1CN(CC(=O)NCCOc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000903535165 654251143 /nfs/dbraw/zinc/25/11/43/654251143.db2.gz MPFXNTMADPZKFE-ZIAGYGMSSA-N 1 0 379.810 2.047 20 0 GEADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903538749 654251789 /nfs/dbraw/zinc/25/17/89/654251789.db2.gz DKIJNJIOCVAJQB-TUAOUCFPSA-N 1 0 380.208 2.187 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903538400 654251870 /nfs/dbraw/zinc/25/18/70/654251870.db2.gz UQYLZXDTRPMSNP-UHFFFAOYSA-N 1 0 395.294 2.025 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCCN2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000903542019 654252168 /nfs/dbraw/zinc/25/21/68/654252168.db2.gz RRDHIBWRANIOBL-RNCFNFMXSA-N 1 0 394.722 2.390 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000903543599 654252925 /nfs/dbraw/zinc/25/29/25/654252925.db2.gz HSUQIXZYMDZWLJ-UHFFFAOYSA-N 1 0 397.722 2.231 20 0 GEADRO COc1ccc([C@H](CNC(=O)NCC2SCCS2)[NH+](C)C)cc1OC ZINC000852663224 654253260 /nfs/dbraw/zinc/25/32/60/654253260.db2.gz ANMVSWWPCGWKRX-ZDUSSCGKSA-N 1 0 385.555 2.412 20 0 GEADRO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[NH2+]CCC12CCOCC2 ZINC000903547609 654253741 /nfs/dbraw/zinc/25/37/41/654253741.db2.gz NUXSPVDTDHFGTH-UHFFFAOYSA-N 1 0 378.416 2.239 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903556160 654255185 /nfs/dbraw/zinc/25/51/85/654255185.db2.gz PCKAMLZHNIAHHG-VXGBXAGGSA-N 1 0 391.331 2.372 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562184 654256548 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392.321 2.224 20 0 GEADRO O=S(=O)(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cncc(Cl)c1 ZINC000903574299 654259182 /nfs/dbraw/zinc/25/91/82/654259182.db2.gz PJDHORPQKHEYDK-DOTOQJQBSA-N 1 0 379.869 2.269 20 0 GEADRO Cc1nc(S(=O)(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000903574763 654259257 /nfs/dbraw/zinc/25/92/57/654259257.db2.gz XMASOWFRFPGBQH-YOEHRIQHSA-N 1 0 379.507 2.294 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1cccc(F)c1Br)C2 ZINC000903575844 654259724 /nfs/dbraw/zinc/25/97/24/654259724.db2.gz DTOKDVSDZPBVNH-DLOVCJGASA-N 1 0 377.279 2.230 20 0 GEADRO [NH3+][C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2I)C1 ZINC000852789652 654260357 /nfs/dbraw/zinc/26/03/57/654260357.db2.gz KHYSDMQDONLMJR-NSHDSACASA-N 1 0 396.232 2.040 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000903578085 654260724 /nfs/dbraw/zinc/26/07/24/654260724.db2.gz BIPIEJRLGSYORD-WPRPVWTQSA-N 1 0 392.321 2.327 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1cc(F)ccc1Br)C2 ZINC000903578490 654260748 /nfs/dbraw/zinc/26/07/48/654260748.db2.gz AOWHBDAHBMYBHR-XDTLVQLUSA-N 1 0 377.279 2.230 20 0 GEADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc3c(cc1Cl)CCCC(=O)N3)C2 ZINC000871804843 654260723 /nfs/dbraw/zinc/26/07/23/654260723.db2.gz HQXMBPHRWCWOJH-SJCJKPOMSA-N 1 0 383.901 2.117 20 0 GEADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000871804916 654260799 /nfs/dbraw/zinc/26/07/99/654260799.db2.gz IMOQXMXDGVTBAP-KAEOHJDDSA-N 1 0 391.534 2.002 20 0 GEADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000871804441 654260815 /nfs/dbraw/zinc/26/08/15/654260815.db2.gz AHYXWQPBNRINLN-JPMUSVJPSA-N 1 0 391.534 2.083 20 0 GEADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000871806058 654261181 /nfs/dbraw/zinc/26/11/81/654261181.db2.gz WHVZJMVPWPHMQD-FENDNCTDSA-N 1 0 391.534 2.002 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Cl)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809380 654261947 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CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000871813395 654263649 /nfs/dbraw/zinc/26/36/49/654263649.db2.gz IKJBYMCGOPDVNC-GXSJLCMTSA-N 1 0 399.822 2.056 20 0 GEADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000871813587 654264018 /nfs/dbraw/zinc/26/40/18/654264018.db2.gz JLKXSDILZQTDSH-QWRGUYRKSA-N 1 0 384.807 2.300 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903586835 654264080 /nfs/dbraw/zinc/26/40/80/654264080.db2.gz KRQOHWVYHYOQDK-IAQYHMDHSA-N 1 0 376.906 2.112 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903586837 654264084 /nfs/dbraw/zinc/26/40/84/654264084.db2.gz KRQOHWVYHYOQDK-XHDPSFHLSA-N 1 0 376.906 2.112 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@@H]1C(F)(F)F ZINC000871814730 654264409 /nfs/dbraw/zinc/26/44/09/654264409.db2.gz XIYIXSLNMNGPSO-BQBZGAKWSA-N 1 0 378.750 2.376 20 0 GEADRO [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCC1SCCS1 ZINC000852868516 654264499 /nfs/dbraw/zinc/26/44/99/654264499.db2.gz HVSIZYSYPUTHAI-INIZCTEOSA-N 1 0 376.551 2.114 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903589233 654264517 /nfs/dbraw/zinc/26/45/17/654264517.db2.gz NPAOTTQHNOPQDD-NHYWBVRUSA-N 1 0 389.315 2.268 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000852867693 654264522 /nfs/dbraw/zinc/26/45/22/654264522.db2.gz ZFIQLEDQVLQNPW-MRXNPFEDSA-N 1 0 387.933 2.228 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903590417 654264784 /nfs/dbraw/zinc/26/47/84/654264784.db2.gz WCSOAQPRLNXZMX-OTYXRUKQSA-N 1 0 393.278 2.099 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000852879344 654264892 /nfs/dbraw/zinc/26/48/92/654264892.db2.gz VJDFCRQWEKWGAL-AAEUAGOBSA-N 1 0 381.249 2.407 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@@]34CC[NH2+]C4)cc21 ZINC000903591340 654265281 /nfs/dbraw/zinc/26/52/81/654265281.db2.gz DFUVAFBSRNEDPY-INIZCTEOSA-N 1 0 398.326 2.457 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000903591452 654265302 /nfs/dbraw/zinc/26/53/02/654265302.db2.gz MNUSMVFVJIUUKW-UHFFFAOYSA-N 1 0 383.283 2.215 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000871818210 654265167 /nfs/dbraw/zinc/26/51/67/654265167.db2.gz JOEOWXURXWOEIJ-NSHDSACASA-N 1 0 380.436 2.030 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000852880488 654265289 /nfs/dbraw/zinc/26/52/89/654265289.db2.gz AOQHGABGUQLMDN-UPJWGTAASA-N 1 0 390.228 2.035 20 0 GEADRO C[C@]1(C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1(Br)Br ZINC000852881257 654265397 /nfs/dbraw/zinc/26/53/97/654265397.db2.gz ISGBEXLETNSAPZ-LLVKDONJSA-N 1 0 380.124 2.485 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871819452 654265634 /nfs/dbraw/zinc/26/56/34/654265634.db2.gz SYEQLHJITVZVBC-GJZGRUSLSA-N 1 0 389.315 2.162 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC[C@]12CC[NH2+]C2 ZINC000903593509 654265866 /nfs/dbraw/zinc/26/58/66/654265866.db2.gz OBITWUXSJMUKCO-CYBMUJFWSA-N 1 0 381.242 2.244 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000852893685 654265974 /nfs/dbraw/zinc/26/59/74/654265974.db2.gz ZNJJZKNGQBDTRY-QWHCGFSZSA-N 1 0 381.249 2.197 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903593713 654266045 /nfs/dbraw/zinc/26/60/45/654266045.db2.gz TUEYUKDLQQGDEF-SUMWQHHRSA-N 1 0 388.917 2.270 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N(C)CCCCCC[NH3+])c(Cl)cc21 ZINC000871823385 654266577 /nfs/dbraw/zinc/26/65/77/654266577.db2.gz OWQHXXNOYYNBIC-UHFFFAOYSA-N 1 0 387.933 2.389 20 0 GEADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000852908418 654267968 /nfs/dbraw/zinc/26/79/68/654267968.db2.gz MYHFSNBGBVKWFA-HOTGVXAUSA-N 1 0 383.286 2.118 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cnc1Cl ZINC000921480275 654272416 /nfs/dbraw/zinc/27/24/16/654272416.db2.gz DNWJTRMXEACKFD-AWEZNQCLSA-N 1 0 384.889 2.110 20 0 GEADRO C[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)CC1(C)OCCO1 ZINC000871898314 654274377 /nfs/dbraw/zinc/27/43/77/654274377.db2.gz BOMPJHMNELWSPC-QMTHXVAHSA-N 1 0 389.265 2.493 20 0 GEADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000853081755 654278047 /nfs/dbraw/zinc/27/80/47/654278047.db2.gz VMWJIAGVAYOQLM-SSDOTTSWSA-N 1 0 396.616 2.008 20 0 GEADRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000832591479 654279501 /nfs/dbraw/zinc/27/95/01/654279501.db2.gz ZYFUCUIKMLWFRW-JKSUJKDBSA-N 1 0 378.460 2.430 20 0 GEADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903715627 654280377 /nfs/dbraw/zinc/28/03/77/654280377.db2.gz KLCBJOQEFKXSKZ-GHMZBOCLSA-N 1 0 397.850 2.488 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cccs2)CC[C@H]1C(F)(F)F ZINC000903716275 654281009 /nfs/dbraw/zinc/28/10/09/654281009.db2.gz SZUUWORLIIHYBV-UTUOFQBUSA-N 1 0 375.416 2.150 20 0 GEADRO C[N@@H+]1CCn2nc(N[C@H]3CCN(c4cccc(Br)c4)C3=O)cc2C1 ZINC000871927538 654281632 /nfs/dbraw/zinc/28/16/32/654281632.db2.gz WPDHQFOEFAGGJO-HNNXBMFYSA-N 1 0 390.285 2.308 20 0 GEADRO C[NH2+]C[C@H](C)NCc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000853248377 654289381 /nfs/dbraw/zinc/28/93/81/654289381.db2.gz FBYROASZHUBGBW-NSHDSACASA-N 1 0 395.388 2.283 20 0 GEADRO C[C@H](CNc1nc(Cl)nc2c(Br)c[nH]c21)N1CC[NH+](C)CC1 ZINC000853258685 654289778 /nfs/dbraw/zinc/28/97/78/654289778.db2.gz ZGIPELZFZMLSDG-SECBINFHSA-N 1 0 387.713 2.422 20 0 GEADRO CC(C)[C@@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[NH+]1CCCCCC1 ZINC000853283136 654290741 /nfs/dbraw/zinc/29/07/41/654290741.db2.gz DMVKEDZGYOLPCW-PWECECGKSA-N 1 0 385.496 2.497 20 0 GEADRO CCS(=O)(=O)NCC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921603370 654291002 /nfs/dbraw/zinc/29/10/02/654291002.db2.gz FZFUISITFGMGNN-UHFFFAOYSA-N 1 0 378.267 2.098 20 0 GEADRO [NH3+][C@@H](CC(F)F)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000903903250 654291152 /nfs/dbraw/zinc/29/11/52/654291152.db2.gz HMAQZKUCKQYPMY-LBPRGKRZSA-N 1 0 391.260 2.477 20 0 GEADRO CCN(C(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000891405148 654291372 /nfs/dbraw/zinc/29/13/72/654291372.db2.gz UXTRJSHKIABWLU-AWEZNQCLSA-N 1 0 383.290 2.171 20 0 GEADRO O=C1NCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1cccc(Br)c1 ZINC000903910209 654291482 /nfs/dbraw/zinc/29/14/82/654291482.db2.gz KQMFHFSJXPCNSQ-BHJGYWERSA-N 1 0 378.314 2.453 20 0 GEADRO O=S(=O)(c1ccc(Cl)cc1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903906848 654291499 /nfs/dbraw/zinc/29/14/99/654291499.db2.gz ZPCSCVZSIRQOGQ-ZXFUBFMLSA-N 1 0 383.945 2.177 20 0 GEADRO O=C(CCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)Nc1ccc(Br)cc1 ZINC000891405680 654291803 /nfs/dbraw/zinc/29/18/03/654291803.db2.gz YUURUHSONXMBDQ-RHSMWYFYSA-N 1 0 395.301 2.362 20 0 GEADRO Brc1ccc2c(c1)CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CCO2 ZINC000903915786 654292039 /nfs/dbraw/zinc/29/20/39/654292039.db2.gz PYCXPIYNSJJHJD-HNNXBMFYSA-N 1 0 392.301 2.360 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(C)cnc1Br)[C@H]1CC[N@H+](C)C1 ZINC000832742258 654292370 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GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000834469794 654327987 /nfs/dbraw/zinc/32/79/87/654327987.db2.gz OWUZTHFIHMEAKT-CQSZACIVSA-N 1 0 385.917 2.094 20 0 GEADRO Cc1nc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)sc1Br ZINC000921826569 654328035 /nfs/dbraw/zinc/32/80/35/654328035.db2.gz UAECFIXNNKYWCN-UHFFFAOYSA-N 1 0 394.360 2.260 20 0 GEADRO O=C(CC[NH2+]C[C@@H](O)CCC1(O)CCC1)Nc1ccc(Br)cc1 ZINC000905058744 654328613 /nfs/dbraw/zinc/32/86/13/654328613.db2.gz JJJOKCLSJPBONZ-HNNXBMFYSA-N 1 0 385.302 2.423 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 ZINC000905062218 654328626 /nfs/dbraw/zinc/32/86/26/654328626.db2.gz LKZWNCARSDRRFY-SJLPKXTDSA-N 1 0 383.897 2.188 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905081819 654329806 /nfs/dbraw/zinc/32/98/06/654329806.db2.gz PQPUTYLOYBCZMB-AWEZNQCLSA-N 1 0 385.302 2.342 20 0 GEADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804975106 654330172 /nfs/dbraw/zinc/33/01/72/654330172.db2.gz DVLJFMBUDWKSBB-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834507713 654331091 /nfs/dbraw/zinc/33/10/91/654331091.db2.gz CNLGUTOYLSUOJG-HUUCEWRRSA-N 1 0 377.551 2.036 20 0 GEADRO CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834507714 654331193 /nfs/dbraw/zinc/33/11/93/654331193.db2.gz CNLGUTOYLSUOJG-LSDHHAIUSA-N 1 0 377.551 2.036 20 0 GEADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513084 654331806 /nfs/dbraw/zinc/33/18/06/654331806.db2.gz FHIUDUJNBOMBRS-HUUCEWRRSA-N 1 0 377.551 2.036 20 0 GEADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000804990351 654331927 /nfs/dbraw/zinc/33/19/27/654331927.db2.gz XAEPFABIXWGFJX-UHFFFAOYSA-N 1 0 379.885 2.042 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1nc(C)n(C)c1Br ZINC000805002294 654333165 /nfs/dbraw/zinc/33/31/65/654333165.db2.gz SYAXOYBJZFVCHR-GFCCVEGCSA-N 1 0 393.351 2.034 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1cccc(Br)n1 ZINC000853995876 654335808 /nfs/dbraw/zinc/33/58/08/654335808.db2.gz ZKZSZDKJCRASQU-CYBMUJFWSA-N 1 0 395.301 2.021 20 0 GEADRO O=S(=O)(c1cccc(Br)n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000872445521 654337704 /nfs/dbraw/zinc/33/77/04/654337704.db2.gz NDODNHXGBHFGND-ZDUSSCGKSA-N 1 0 388.331 2.483 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N1CC[NH2+]CCC12CCC2 ZINC000892282344 654338484 /nfs/dbraw/zinc/33/84/84/654338484.db2.gz QRVIDGDKOZPVLX-UHFFFAOYSA-N 1 0 383.290 2.280 20 0 GEADRO CS[C@@H](C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(C)(C)C ZINC000905203162 654338557 /nfs/dbraw/zinc/33/85/57/654338557.db2.gz KKFVYGTXCIRNHD-KGLIPLIRSA-N 1 0 380.620 2.355 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905203366 654338585 /nfs/dbraw/zinc/33/85/85/654338585.db2.gz VRVXZRFYUGBICZ-KCXAZCMYSA-N 1 0 388.302 2.017 20 0 GEADRO CC[C@@H]1CN(C(=O)c2cn(-c3ccccc3Br)nn2)CC[C@H]1[NH3+] ZINC000834641877 654340673 /nfs/dbraw/zinc/34/06/73/654340673.db2.gz OALGOTWENRWUGZ-DGCLKSJQSA-N 1 0 378.274 2.229 20 0 GEADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC000872453870 654340687 /nfs/dbraw/zinc/34/06/87/654340687.db2.gz RGCYIPOYSHELEV-UHFFFAOYSA-N 1 0 380.432 2.231 20 0 GEADRO COc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1Cl ZINC000921912225 654340796 /nfs/dbraw/zinc/34/07/96/654340796.db2.gz WJIAQCQVHJPYLI-AWEZNQCLSA-N 1 0 388.917 2.189 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000921911391 654340891 /nfs/dbraw/zinc/34/08/91/654340891.db2.gz PWZXGDANOQEGOY-INIZCTEOSA-N 1 0 388.917 2.018 20 0 GEADRO CC(C)[NH2+]Cc1nc(-c2cccn3c(I)cnc23)no1 ZINC000854152867 654342751 /nfs/dbraw/zinc/34/27/51/654342751.db2.gz DYWKHMJUUZFTSP-UHFFFAOYSA-N 1 0 383.193 2.487 20 0 GEADRO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1ncc(Br)cc1O ZINC000892398196 654344182 /nfs/dbraw/zinc/34/41/82/654344182.db2.gz XWOKHZMZYKNCPD-UHFFFAOYSA-N 1 0 382.233 2.137 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905248986 654344572 /nfs/dbraw/zinc/34/45/72/654344572.db2.gz WXLOJOUHIFYCFE-TUKIKUTGSA-N 1 0 381.325 2.334 20 0 GEADRO C[C@](O)(C[NH2+]CCn1cc(Br)ccc1=O)C(F)(F)C(F)(F)F ZINC000905272633 654346747 /nfs/dbraw/zinc/34/67/47/654346747.db2.gz HVPGRCOMNOVRRA-JTQLQIEISA-N 1 0 393.150 2.149 20 0 GEADRO O=C(NCc1cccc(Br)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892455210 654346948 /nfs/dbraw/zinc/34/69/48/654346948.db2.gz VJGIZUNVTXSEFR-CVEARBPZSA-N 1 0 382.302 2.190 20 0 GEADRO O=S(=O)(CCC[NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccc(Cl)cc1 ZINC000905274800 654347409 /nfs/dbraw/zinc/34/74/09/654347409.db2.gz RHIFGLCOAKWWMF-HNNXBMFYSA-N 1 0 375.918 2.150 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000892470872 654347933 /nfs/dbraw/zinc/34/79/33/654347933.db2.gz YBIOBCPETOKHHJ-UHFFFAOYSA-N 1 0 388.331 2.381 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000834786824 654348361 /nfs/dbraw/zinc/34/83/61/654348361.db2.gz UVRSQUNAXVONKG-ZDUSSCGKSA-N 1 0 387.933 2.372 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000834809470 654349560 /nfs/dbraw/zinc/34/95/60/654349560.db2.gz RWWYGBKRHMRTCX-ZDUSSCGKSA-N 1 0 387.933 2.372 20 0 GEADRO COC(=O)c1cc(Br)c(NCC2([NH+](C)C)CCOCC2)nc1C ZINC000892527744 654349764 /nfs/dbraw/zinc/34/97/64/654349764.db2.gz KNYUQIOYRLLHSX-UHFFFAOYSA-N 1 0 386.290 2.462 20 0 GEADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892524283 654349769 /nfs/dbraw/zinc/34/97/69/654349769.db2.gz LTGSHHWFKBCIDZ-UONOGXRCSA-N 1 0 386.949 2.473 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000892544340 654350357 /nfs/dbraw/zinc/35/03/57/654350357.db2.gz JHCLRCBQJVKDTO-BJHJDKERSA-N 1 0 378.274 2.171 20 0 GEADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000805115755 654351017 /nfs/dbraw/zinc/35/10/17/654351017.db2.gz QMAWCODJPCBKDS-JTQLQIEISA-N 1 0 375.288 2.052 20 0 GEADRO C[C@H](CNS(=O)(=O)CC1CC[NH2+]CC1)Oc1ccccc1Br ZINC000905337304 654351398 /nfs/dbraw/zinc/35/13/98/654351398.db2.gz FCXSEGOVAPNMCX-GFCCVEGCSA-N 1 0 391.331 2.135 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000834829426 654351717 /nfs/dbraw/zinc/35/17/17/654351717.db2.gz AVVGLUBNTBOHNI-ZDUSSCGKSA-N 1 0 397.875 2.083 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000892564487 654351825 /nfs/dbraw/zinc/35/18/25/654351825.db2.gz HRXVXHYOCJXTMW-TXEJJXNPSA-N 1 0 387.347 2.075 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000834831088 654351828 /nfs/dbraw/zinc/35/18/28/654351828.db2.gz OAONFJRDIVQRNZ-LBPRGKRZSA-N 1 0 397.875 2.129 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000905356364 654352511 /nfs/dbraw/zinc/35/25/11/654352511.db2.gz AIDUMEUUSVSITM-OAHLLOKOSA-N 1 0 376.906 2.174 20 0 GEADRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000834843346 654352888 /nfs/dbraw/zinc/35/28/88/654352888.db2.gz HSVAOZSHRLZLHB-BZNIZROVSA-N 1 0 381.441 2.130 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000834845979 654352894 /nfs/dbraw/zinc/35/28/94/654352894.db2.gz LBQZSOYXTKRKJN-LBPRGKRZSA-N 1 0 386.196 2.430 20 0 GEADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000905361284 654353418 /nfs/dbraw/zinc/35/34/18/654353418.db2.gz WQJGJYSEUZNDSJ-CQSZACIVSA-N 1 0 388.331 2.243 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)ncc2Cl)CC12CCOCC2 ZINC000834854215 654353434 /nfs/dbraw/zinc/35/34/34/654353434.db2.gz SALNTXAJKWCEHF-JTQLQIEISA-N 1 0 388.693 2.325 20 0 GEADRO CC[C@@](O)(C[NH2+]C[C@@H](O)COc1ccccc1Br)C(F)(F)F ZINC000905367097 654353712 /nfs/dbraw/zinc/35/37/12/654353712.db2.gz IFZQRGDQTIOYFN-ZWNOBZJWSA-N 1 0 386.208 2.482 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H](O)CCC1(O)CCC1)Cc1ccccc1Br ZINC000905366905 654353777 /nfs/dbraw/zinc/35/37/77/654353777.db2.gz QALBCBFBSVNDDE-HOCLYGCPSA-N 1 0 386.330 2.246 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872490942 654354946 /nfs/dbraw/zinc/35/49/46/654354946.db2.gz OBMGSDHSPVPNHK-IAQYHMDHSA-N 1 0 385.917 2.328 20 0 GEADRO COc1cc(/C=C\C(=O)NOC2CC[NH+](C)CC2)cc(Br)c1O ZINC000854356478 654355793 /nfs/dbraw/zinc/35/57/93/654355793.db2.gz AWXQATUXAARJMH-ARJAWSKDSA-N 1 0 385.258 2.319 20 0 GEADRO O[C@@H](C[NH2+]CCc1cc(Cl)cc(Br)c1)C[C@@]1(O)CCOC1 ZINC000905418192 654355972 /nfs/dbraw/zinc/35/59/72/654355972.db2.gz JVXKBYKVTWFXHX-CABCVRRESA-N 1 0 378.694 2.137 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000905429986 654356743 /nfs/dbraw/zinc/35/67/43/654356743.db2.gz HQXBCPXGIXROQM-CHWSQXEVSA-N 1 0 382.309 2.290 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000905430382 654356799 /nfs/dbraw/zinc/35/67/99/654356799.db2.gz JACGGMFFIONJRZ-AAEUAGOBSA-N 1 0 382.309 2.290 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000905433472 654357458 /nfs/dbraw/zinc/35/74/58/654357458.db2.gz XEFFSZGVHZUEDT-UKRRQHHQSA-N 1 0 382.309 2.290 20 0 GEADRO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905446512 654357876 /nfs/dbraw/zinc/35/78/76/654357876.db2.gz IBSNFDVBKGDZCS-JOYOIKCWSA-N 1 0 375.359 2.296 20 0 GEADRO O[C@H](C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)C(F)(F)C(F)(F)F ZINC000905449321 654358267 /nfs/dbraw/zinc/35/82/67/654358267.db2.gz ZYBJPLOHNCVWRJ-NWDGAFQWSA-N 1 0 377.737 2.366 20 0 GEADRO C[C@](O)(C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000905453490 654358298 /nfs/dbraw/zinc/35/82/98/654358298.db2.gz QADHWIGEZQKWEC-MJVIPROJSA-N 1 0 396.734 2.475 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1OC ZINC000892687411 654358696 /nfs/dbraw/zinc/35/86/96/654358696.db2.gz OHTUBFUYMALKKW-FZMZJTMJSA-N 1 0 398.301 2.312 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000835045199 654359547 /nfs/dbraw/zinc/35/95/47/654359547.db2.gz GATMZKMFQMIQRG-YPMHNXCESA-N 1 0 397.317 2.328 20 0 GEADRO CCO[C@@H]1CN(C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C[C@H]1C[NH3+] ZINC000892710147 654360917 /nfs/dbraw/zinc/36/09/17/654360917.db2.gz HVLCCCKHPFFEQT-BXKDBHETSA-N 1 0 380.798 2.259 20 0 GEADRO Cn1c(C(=O)N[C@@H](CO)C[NH+](C)C)ccc1-c1ccc(Br)cc1 ZINC000854466385 654362813 /nfs/dbraw/zinc/36/28/13/654362813.db2.gz BYNZIUKLVMHQMI-CQSZACIVSA-N 1 0 380.286 2.107 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc(F)cc2F)CCC1 ZINC000905522663 654363263 /nfs/dbraw/zinc/36/32/63/654363263.db2.gz YPPPHAMRFLTOPP-HNNXBMFYSA-N 1 0 376.469 2.228 20 0 GEADRO Cn1c(C(=O)N[C@@H](CO)C[NH+](C)C)ccc1-c1ccccc1Br ZINC000854466854 654363361 /nfs/dbraw/zinc/36/33/61/654363361.db2.gz LWCWRUGIIBZBJL-GFCCVEGCSA-N 1 0 380.286 2.107 20 0 GEADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCSC[C@H]1c1nccs1 ZINC000892765156 654363394 /nfs/dbraw/zinc/36/33/94/654363394.db2.gz BJCYZPWWABBCFW-KGLIPLIRSA-N 1 0 382.555 2.101 20 0 GEADRO C[C@]12CCN(C(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C[C@H]1C2(Cl)Cl ZINC000892765041 654363414 /nfs/dbraw/zinc/36/34/14/654363414.db2.gz YOZUVNZLQVUCRD-NFAWXSAZSA-N 1 0 376.328 2.370 20 0 GEADRO COC(=O)/C(C)=C\C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000905530197 654363986 /nfs/dbraw/zinc/36/39/86/654363986.db2.gz DSGVAJQQIFDRLF-JUSXSOTRSA-N 1 0 376.222 2.037 20 0 GEADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCC(C)([NH+]3CCCCC3)CC2)s1 ZINC000872531054 654365290 /nfs/dbraw/zinc/36/52/90/654365290.db2.gz YPPOBADFJHHJCS-UHFFFAOYSA-N 1 0 386.543 2.131 20 0 GEADRO Cc1nn(C)c(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1Cl ZINC000922091870 654366633 /nfs/dbraw/zinc/36/66/33/654366633.db2.gz NUYCEHULIDZLRG-UHFFFAOYSA-N 1 0 391.324 2.494 20 0 GEADRO C[C@@H](OC[C@@H](O)C[NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000905576269 654366992 /nfs/dbraw/zinc/36/69/92/654366992.db2.gz DXAUFQAUUUMWQH-CJNGLKHVSA-N 1 0 377.934 2.439 20 0 GEADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2nc(F)ccc2Br)CC1 ZINC000854570506 654367407 /nfs/dbraw/zinc/36/74/07/654367407.db2.gz PZSZHYKJXUBAPN-LLVKDONJSA-N 1 0 386.265 2.309 20 0 GEADRO CC(C)([NH3+])CCNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000892861569 654367374 /nfs/dbraw/zinc/36/73/74/654367374.db2.gz UCHGNWGSOUCWSO-UHFFFAOYSA-N 1 0 397.317 2.044 20 0 GEADRO O=C(NCc1ccc(Br)cc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892873515 654368123 /nfs/dbraw/zinc/36/81/23/654368123.db2.gz ROVIJDDBYLDDRE-CVEARBPZSA-N 1 0 382.302 2.190 20 0 GEADRO O[C@H](C[NH2+]CC1(n2cc(Br)cn2)CC1)COCc1ccccc1 ZINC000905585979 654368116 /nfs/dbraw/zinc/36/81/16/654368116.db2.gz ITLSYYDKMKDZDF-MRXNPFEDSA-N 1 0 380.286 2.302 20 0 GEADRO C[N@H+](CCNC(=O)c1cnc(-c2cccc(Cl)c2)s1)CCOCCO ZINC000922109480 654368329 /nfs/dbraw/zinc/36/83/29/654368329.db2.gz GZFQTSZMEGHKDK-UHFFFAOYSA-N 1 0 383.901 2.134 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)C2)C1 ZINC000854605441 654370177 /nfs/dbraw/zinc/37/01/77/654370177.db2.gz LPDNFAGAJYMTTD-OAHLLOKOSA-N 1 0 376.400 2.148 20 0 GEADRO Cn1nnc2c1C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)CC2 ZINC000905633581 654371264 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C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Cl)ncc1Br ZINC000854643097 654372635 /nfs/dbraw/zinc/37/26/35/654372635.db2.gz QQWVUHCQJGITGM-QWHCGFSZSA-N 1 0 388.693 2.433 20 0 GEADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cnn(C(C)(C)C)c1Br ZINC000854642574 654372867 /nfs/dbraw/zinc/37/28/67/654372867.db2.gz MMPWYSBMRACIOA-UONOGXRCSA-N 1 0 399.333 2.336 20 0 GEADRO Cc1[nH+]c2cc(NCc3nc(Br)nn3C)ccc2n1[C@H](C)CO ZINC000922174824 654373538 /nfs/dbraw/zinc/37/35/38/654373538.db2.gz VSWPVWIADMXNFA-SECBINFHSA-N 1 0 379.262 2.401 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000835252610 654375115 /nfs/dbraw/zinc/37/51/15/654375115.db2.gz BLFRJTWOBAZAAO-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000905697000 654375522 /nfs/dbraw/zinc/37/55/22/654375522.db2.gz SVMUVNBHVVNBJT-GOEBONIOSA-N 1 0 395.297 2.417 20 0 GEADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835261508 654376205 /nfs/dbraw/zinc/37/62/05/654376205.db2.gz YJHMXQPWBKCQNR-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC000922232656 654377334 /nfs/dbraw/zinc/37/73/34/654377334.db2.gz WFACDDDTKCBWNR-CYBMUJFWSA-N 1 0 379.242 2.048 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000835287370 654377892 /nfs/dbraw/zinc/37/78/92/654377892.db2.gz RGUXBTFJFBAOJC-LBPRGKRZSA-N 1 0 383.290 2.080 20 0 GEADRO Cn1cc(C[NH2+]CC2CCN(CC(F)F)CC2)c(I)n1 ZINC000922274877 654380809 /nfs/dbraw/zinc/38/08/09/654380809.db2.gz NPISDGITAUXTEF-UHFFFAOYSA-N 1 0 398.239 2.091 20 0 GEADRO O=C1OC[C@]2(C[NH2+]Cc3cc4c(cc(F)cc4Br)[nH]3)COCCN12 ZINC000922317922 654383190 /nfs/dbraw/zinc/38/31/90/654383190.db2.gz LRBQLTDTSGFLBG-INIZCTEOSA-N 1 0 398.232 2.380 20 0 GEADRO CN(C)c1cc[nH+]c(CN[C@H](C(N)=O)c2ccc(Br)cc2F)c1 ZINC000905850768 654384589 /nfs/dbraw/zinc/38/45/89/654384589.db2.gz PIEUUUSUHCLNET-HNNXBMFYSA-N 1 0 381.249 2.365 20 0 GEADRO NC(=O)[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1ccc(Br)cc1 ZINC000905852530 654384912 /nfs/dbraw/zinc/38/49/12/654384912.db2.gz FTSMMHSITHYHSY-QLFBSQMISA-N 1 0 384.343 2.145 20 0 GEADRO O[C@H](C[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C[C@]1(O)CCOC1 ZINC000905904560 654389502 /nfs/dbraw/zinc/38/95/02/654389502.db2.gz KBPWWZZCUGLBOC-VCDKRKBESA-N 1 0 379.341 2.388 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(Cn3c(=O)oc4cc(Br)c(F)cc43)CC[C@H]21 ZINC000872722941 654392925 /nfs/dbraw/zinc/39/29/25/654392925.db2.gz IEFMFQNAQUKFBV-ZWNOBZJWSA-N 1 0 384.249 2.480 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000893247504 654393536 /nfs/dbraw/zinc/39/35/36/654393536.db2.gz GLUDBHPHWQCTRX-UHFFFAOYSA-N 1 0 389.315 2.322 20 0 GEADRO CC(C)[C@H]1CN(CN2c3ccc(Br)cc3C(=O)C2=O)CC[N@@H+]1C ZINC000872739137 654393903 /nfs/dbraw/zinc/39/39/03/654393903.db2.gz YXQCUZZRGRZLFG-OAHLLOKOSA-N 1 0 380.286 2.208 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)NCCn1cc(Br)cn1)c1cccnc1 ZINC000922458423 654394888 /nfs/dbraw/zinc/39/48/88/654394888.db2.gz PCSHRENFEICIMK-HNNXBMFYSA-N 1 0 395.305 2.033 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1csc(I)n1 ZINC000855056509 654395157 /nfs/dbraw/zinc/39/51/57/654395157.db2.gz OJBMYHYQGNBAQK-MWLCHTKSSA-N 1 0 391.278 2.494 20 0 GEADRO CONC(=O)C1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000872791946 654395936 /nfs/dbraw/zinc/39/59/36/654395936.db2.gz LTGDGFQIZQXMCU-UHFFFAOYSA-N 1 0 394.269 2.111 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)N1CCN([S@](C)(=N)=O)CC1)c1ccsc1 ZINC000872826545 654399122 /nfs/dbraw/zinc/39/91/22/654399122.db2.gz XHPQHQWJYBFJSG-BZQUYTCOSA-N 1 0 387.575 2.050 20 0 GEADRO CCn1c(C[NH2+]C2CC(CC(N)=O)C2)nc(Br)c1Br ZINC000922515518 654399405 /nfs/dbraw/zinc/39/94/05/654399405.db2.gz BGXQZUJPURAAGR-UHFFFAOYSA-N 1 0 394.111 2.172 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)CCS(=O)(=O)C1 ZINC000922614954 654403318 /nfs/dbraw/zinc/40/33/18/654403318.db2.gz GBLWODUIWBNIJL-QGZVFWFLSA-N 1 0 383.901 2.127 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2ccc(Br)c3cccnc23)CCS(=O)(=O)C1 ZINC000922618657 654404191 /nfs/dbraw/zinc/40/41/91/654404191.db2.gz FURZGPWWICTFTA-MRXNPFEDSA-N 1 0 399.310 2.291 20 0 GEADRO Cn1cc(CN[C@H](CC[NH+](C)C)c2cccnc2)c(I)n1 ZINC000922632869 654404972 /nfs/dbraw/zinc/40/49/72/654404972.db2.gz NAZXTRCMWJPWAN-CQSZACIVSA-N 1 0 399.280 2.202 20 0 GEADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000922686100 654407662 /nfs/dbraw/zinc/40/76/62/654407662.db2.gz FWMXXYGCRFKQEI-UHFFFAOYSA-N 1 0 382.507 2.314 20 0 GEADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)ccc1Cl ZINC000922707478 654408727 /nfs/dbraw/zinc/40/87/27/654408727.db2.gz CIAXMONQYJGENA-NSHDSACASA-N 1 0 385.839 2.104 20 0 GEADRO O=C1OCCN1CCC[NH2+]Cc1cccc(F)c1I ZINC000873039006 654411487 /nfs/dbraw/zinc/41/14/87/654411487.db2.gz ZCQKKWREVIZKKM-UHFFFAOYSA-N 1 0 378.185 2.362 20 0 GEADRO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1cccc(F)c1I ZINC000873045168 654412019 /nfs/dbraw/zinc/41/20/19/654412019.db2.gz CHLITIMFJBTKSZ-LBPRGKRZSA-N 1 0 391.272 2.156 20 0 GEADRO Fc1cccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1I ZINC000873044871 654412061 /nfs/dbraw/zinc/41/20/61/654412061.db2.gz XQMSSORSGFZAJA-CHWSQXEVSA-N 1 0 390.240 2.383 20 0 GEADRO Cn1c2ccccc2c(Br)c1C[NH2+]CCN1CCCS1(=O)=O ZINC000873044943 654412079 /nfs/dbraw/zinc/41/20/79/654412079.db2.gz YYAYPGOSDFAZOJ-UHFFFAOYSA-N 1 0 386.315 2.066 20 0 GEADRO Nc1c(Br)cc(Br)cc1C[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000922781090 654413252 /nfs/dbraw/zinc/41/32/52/654413252.db2.gz MJFZIWVSKXCBJE-QMMMGPOBSA-N 1 0 391.107 2.410 20 0 GEADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1I ZINC000873100114 654414894 /nfs/dbraw/zinc/41/48/94/654414894.db2.gz XHZULWSROXKHQB-CMPLNLGQSA-N 1 0 376.213 2.435 20 0 GEADRO CSc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1C ZINC000873106408 654415682 /nfs/dbraw/zinc/41/56/82/654415682.db2.gz IQIVYRAOJUERNV-ZYHUDNBSSA-N 1 0 375.416 2.251 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000922827146 654415669 /nfs/dbraw/zinc/41/56/69/654415669.db2.gz OBNPIKDGRKEVET-MRXNPFEDSA-N 1 0 383.897 2.414 20 0 GEADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C2 ZINC000873109056 654416074 /nfs/dbraw/zinc/41/60/74/654416074.db2.gz COJIEHXTWPIGNW-BJOHPYRUSA-N 1 0 375.778 2.365 20 0 GEADRO Cc1cc(OCC(=O)NCCCC[NH+]2CCN(C)CC2)ccc1Br ZINC000906108712 654416882 /nfs/dbraw/zinc/41/68/82/654416882.db2.gz ARCGEUDPIZOCBR-UHFFFAOYSA-N 1 0 398.345 2.280 20 0 GEADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000893712906 654416923 /nfs/dbraw/zinc/41/69/23/654416923.db2.gz ZKIMFCZUGRXHET-MRVPVSSYSA-N 1 0 382.180 2.050 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855415001 654417972 /nfs/dbraw/zinc/41/79/72/654417972.db2.gz PILKLYVDRVCPMZ-MRXNPFEDSA-N 1 0 376.328 2.417 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000855414226 654418198 /nfs/dbraw/zinc/41/81/98/654418198.db2.gz XKQJWSHQXVDJKR-ZDUSSCGKSA-N 1 0 389.949 2.441 20 0 GEADRO C[C@H](CCNC(=O)c1ccc2ncc(I)n2c1)[NH+](C)C ZINC000855416238 654418442 /nfs/dbraw/zinc/41/84/42/654418442.db2.gz UTTMIHWCOPDDKR-SNVBAGLBSA-N 1 0 386.237 2.009 20 0 GEADRO O=C(c1nc(Br)ccc1F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922883838 654418465 /nfs/dbraw/zinc/41/84/65/654418465.db2.gz XDDAXHYHQMMPTG-UHFFFAOYSA-N 1 0 386.265 2.356 20 0 GEADRO O=C(Cc1cccnc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922882877 654418481 /nfs/dbraw/zinc/41/84/81/654418481.db2.gz OTVXIZBXDFNXEJ-UHFFFAOYSA-N 1 0 382.302 2.146 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cn(C2CC2)c1=O ZINC000906199630 654420822 /nfs/dbraw/zinc/42/08/22/654420822.db2.gz QHDZOPKCJNLRPP-GJZGRUSLSA-N 1 0 380.286 2.302 20 0 GEADRO COC[C@@H](C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(C)C ZINC000922949492 654421624 /nfs/dbraw/zinc/42/16/24/654421624.db2.gz HKLMKQHXFWWHKS-KGLIPLIRSA-N 1 0 377.938 2.213 20 0 GEADRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cn(C)nc2Br)c1 ZINC000873194708 654422229 /nfs/dbraw/zinc/42/22/29/654422229.db2.gz IXVAZWXOGDHFQO-ZUZCIYMTSA-N 1 0 384.274 2.412 20 0 GEADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(C)nc2Br)cc1OC ZINC000873193051 654422271 /nfs/dbraw/zinc/42/22/71/654422271.db2.gz MRHXGTHZVLYTRA-QGZVFWFLSA-N 1 0 398.301 2.283 20 0 GEADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccnn2C)c(C)cc1I ZINC000922974321 654422656 /nfs/dbraw/zinc/42/26/56/654422656.db2.gz KFXNKYMDSOWXKU-OAHLLOKOSA-N 1 0 385.249 2.465 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](O)c1ccnn1C ZINC000922974416 654422785 /nfs/dbraw/zinc/42/27/85/654422785.db2.gz OLEVQNOHYUGLKR-QGZVFWFLSA-N 1 0 390.285 2.500 20 0 GEADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cnn(-c3ccc(Br)cc3)c1)CC2 ZINC000922992197 654423080 /nfs/dbraw/zinc/42/30/80/654423080.db2.gz AVCBTKVBQYLMIS-AWEZNQCLSA-N 1 0 387.285 2.410 20 0 GEADRO CNC(=O)c1ccc(Cl)c(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873303819 654423957 /nfs/dbraw/zinc/42/39/57/654423957.db2.gz KWRDCFJNPONHOF-NXEZZACHSA-N 1 0 378.782 2.301 20 0 GEADRO CS(=O)(=O)c1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000873321057 654424353 /nfs/dbraw/zinc/42/43/53/654424353.db2.gz FWNXSVPQDARNDZ-WPRPVWTQSA-N 1 0 399.822 2.344 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cc1Cl ZINC000923008435 654424419 /nfs/dbraw/zinc/42/44/19/654424419.db2.gz ZLPZUSPEGUBSLV-RHNCMZPLSA-N 1 0 380.897 2.170 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)Nc1ccncc1I ZINC000873317312 654424474 /nfs/dbraw/zinc/42/44/74/654424474.db2.gz KTMVBVDOWULZIC-UHFFFAOYSA-N 1 0 376.242 2.091 20 0 GEADRO Cc1[nH+]ccc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1Br ZINC000893817335 654424834 /nfs/dbraw/zinc/42/48/34/654424834.db2.gz QQMPZXVONNIGAZ-LBPRGKRZSA-N 1 0 376.320 2.260 20 0 GEADRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2I)C12CCOCC2 ZINC000923022601 654425139 /nfs/dbraw/zinc/42/51/39/654425139.db2.gz ZQHZOSCVCQNKBA-UONOGXRCSA-N 1 0 391.224 2.450 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873329244 654425220 /nfs/dbraw/zinc/42/52/20/654425220.db2.gz ULENOURGRNCTFT-CYBMUJFWSA-N 1 0 383.290 2.433 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC000906373758 654431941 /nfs/dbraw/zinc/43/19/41/654431941.db2.gz BCDMQSFYZDYTQK-VXGBXAGGSA-N 1 0 375.357 2.069 20 0 GEADRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]C[C@@H]1C[C@@]1(C)Br)CC2 ZINC000893924770 654431913 /nfs/dbraw/zinc/43/19/13/654431913.db2.gz KUOMGKQBEQYGJU-IIYDPXPESA-N 1 0 383.334 2.347 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)CC1 ZINC000906428472 654436783 /nfs/dbraw/zinc/43/67/83/654436783.db2.gz SPKIBVKKBXGGKC-CSMYWGQOSA-N 1 0 392.297 2.365 20 0 GEADRO CC[NH+](CC)CCSCC(=O)NCC(=O)c1ccc(Br)cn1 ZINC000923248187 654437484 /nfs/dbraw/zinc/43/74/84/654437484.db2.gz DOKODMYEVCCNJL-UHFFFAOYSA-N 1 0 388.331 2.218 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923301776 654442348 /nfs/dbraw/zinc/44/23/48/654442348.db2.gz XOENRYBQHDHXOM-AWEZNQCLSA-N 1 0 384.307 2.130 20 0 GEADRO Cc1c(C(=O)NCC2CC[NH+](C)CC2)nnn1-c1ccccc1Br ZINC000906494218 654443545 /nfs/dbraw/zinc/44/35/45/654443545.db2.gz FLVNJCNUDLVTAV-UHFFFAOYSA-N 1 0 392.301 2.410 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2c(I)cnn2C)C1 ZINC000894062922 654443459 /nfs/dbraw/zinc/44/34/59/654443459.db2.gz GVMFWKPZNUGPLQ-LBPRGKRZSA-N 1 0 376.286 2.188 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923331177 654444999 /nfs/dbraw/zinc/44/49/99/654444999.db2.gz LJWVXMROTPPRJT-HUUCEWRRSA-N 1 0 375.282 2.402 20 0 GEADRO Cn1ncc(I)c1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000894087223 654445602 /nfs/dbraw/zinc/44/56/02/654445602.db2.gz VSSQDRJSMVELQC-ZDUSSCGKSA-N 1 0 388.297 2.188 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906520302 654446154 /nfs/dbraw/zinc/44/61/54/654446154.db2.gz DBVKGACTIWXTEO-UHFFFAOYSA-N 1 0 395.301 2.328 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367365 654446913 /nfs/dbraw/zinc/44/69/13/654446913.db2.gz UJWPHEOGKOEUMO-DOTOQJQBSA-N 1 0 387.293 2.403 20 0 GEADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1c(I)cnn1C ZINC000894139549 654449495 /nfs/dbraw/zinc/44/94/95/654449495.db2.gz FSXQWZCCBALBOR-QMTHXVAHSA-N 1 0 391.253 2.236 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873697175 654450071 /nfs/dbraw/zinc/45/00/71/654450071.db2.gz XTKCFAODAAFXHO-LLVKDONJSA-N 1 0 393.285 2.392 20 0 GEADRO Cn1cc(CNC[C@@H](Cc2ccccc2)[NH+](C)C)c(I)n1 ZINC000894150192 654450107 /nfs/dbraw/zinc/45/01/07/654450107.db2.gz VYBBAPYSSNESKJ-OAHLLOKOSA-N 1 0 398.292 2.287 20 0 GEADRO Cc1cccc([C@@H](C[NH2+]Cc2nc(Br)nn2C)N2CCOCC2)c1 ZINC000894174675 654452847 /nfs/dbraw/zinc/45/28/47/654452847.db2.gz XBOVMUBCZNRQMR-OAHLLOKOSA-N 1 0 394.317 2.049 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873716558 654453173 /nfs/dbraw/zinc/45/31/73/654453173.db2.gz LTWAFDNZWAUTML-UHFFFAOYSA-N 1 0 392.258 2.034 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCC[C@H]1CNC(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000923448869 654453535 /nfs/dbraw/zinc/45/35/35/654453535.db2.gz HPNSOFSJDCOLRW-ABAIWWIYSA-N 1 0 387.311 2.422 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](OC)c2ccc(Br)s2)C1 ZINC000906619204 654454240 /nfs/dbraw/zinc/45/42/40/654454240.db2.gz OMSKCFSEZZABTI-GXFFZTMASA-N 1 0 377.304 2.035 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCC[C@@H]1CNC(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000923448873 654454291 /nfs/dbraw/zinc/45/42/91/654454291.db2.gz HPNSOFSJDCOLRW-NHYWBVRUSA-N 1 0 387.311 2.422 20 0 GEADRO C[C@@H](CNCc1c(I)cnn1C)[NH+]1CCC(C)CC1 ZINC000894209728 654456212 /nfs/dbraw/zinc/45/62/12/654456212.db2.gz UYVBQJFKLYANDY-LBPRGKRZSA-N 1 0 376.286 2.235 20 0 GEADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000906657996 654457387 /nfs/dbraw/zinc/45/73/87/654457387.db2.gz AWMRKEBCLCFJJP-RBSFLKMASA-N 1 0 379.551 2.315 20 0 GEADRO Cn1cc(C[NH2+]C[C@]2(O)CCCc3ccccc32)c(I)n1 ZINC000894252683 654459260 /nfs/dbraw/zinc/45/92/60/654459260.db2.gz NALKCIRHRBVUIT-MRXNPFEDSA-N 1 0 397.260 2.338 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1I ZINC000906687434 654459608 /nfs/dbraw/zinc/45/96/08/654459608.db2.gz YNRYHCDCQLXTTR-LLVKDONJSA-N 1 0 390.269 2.019 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000906715984 654463944 /nfs/dbraw/zinc/46/39/44/654463944.db2.gz DZFWQBZKAMMBMU-NILFDRSVSA-N 1 0 396.285 2.184 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000923537675 654464442 /nfs/dbraw/zinc/46/44/42/654464442.db2.gz XIJHCBLBRGXUQW-DOMZBBRYSA-N 1 0 394.317 2.397 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1Cl)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906725085 654464738 /nfs/dbraw/zinc/46/47/38/654464738.db2.gz QMELDTIWUPOZEK-MDSUWVFBSA-N 1 0 390.640 2.189 20 0 GEADRO Cc1cccc(CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)c1Br ZINC000894348660 654467695 /nfs/dbraw/zinc/46/76/95/654467695.db2.gz AYSNYKRSOWXSDD-UHFFFAOYSA-N 1 0 383.334 2.146 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764640 654469263 /nfs/dbraw/zinc/46/92/63/654469263.db2.gz FVTSDQDMXFPZSI-QGZVFWFLSA-N 1 0 396.285 2.141 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)cc1Br ZINC000906769686 654470024 /nfs/dbraw/zinc/47/00/24/654470024.db2.gz GIKLLRJXBVNVPM-MRXNPFEDSA-N 1 0 398.326 2.464 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N(C)CCCC[NH+](C)C)c1 ZINC000873827619 654470087 /nfs/dbraw/zinc/47/00/87/654470087.db2.gz LTEZQJOYWQWDGV-UHFFFAOYSA-N 1 0 398.301 2.390 20 0 GEADRO Cn1cc(C[NH2+]CCc2cnc(C3CC3)nc2)c(I)n1 ZINC000894369053 654470296 /nfs/dbraw/zinc/47/02/96/654470296.db2.gz QLONIZRSEPAUDA-UHFFFAOYSA-N 1 0 383.237 2.024 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906771778 654470610 /nfs/dbraw/zinc/47/06/10/654470610.db2.gz NMYZQNSFHPZBMT-OAHLLOKOSA-N 1 0 386.677 2.396 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906772721 654470636 /nfs/dbraw/zinc/47/06/36/654470636.db2.gz RAZLPQNYEGTIPO-INIZCTEOSA-N 1 0 384.249 2.190 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N[C@]34CCC[C@H]3C[NH2+]C4)cc2s1 ZINC000906782934 654471882 /nfs/dbraw/zinc/47/18/82/654471882.db2.gz XWOIUBMBYLJWBD-BTDLBPIBSA-N 1 0 376.507 2.215 20 0 GEADRO O=C(c1sc(N2CCCC2)nc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856256250 654473574 /nfs/dbraw/zinc/47/35/74/654473574.db2.gz UVXOXJNVZJCLPJ-ZDUSSCGKSA-N 1 0 384.933 2.068 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856257064 654473637 /nfs/dbraw/zinc/47/36/37/654473637.db2.gz SPMCOOABCYKPSM-LBPRGKRZSA-N 1 0 391.509 2.366 20 0 GEADRO COc1c(F)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000923661003 654474188 /nfs/dbraw/zinc/47/41/88/654474188.db2.gz HOGOWSOFLMUIHO-PSASIEDQSA-N 1 0 388.358 2.121 20 0 GEADRO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000923660489 654474286 /nfs/dbraw/zinc/47/42/86/654474286.db2.gz VTDDEWMITRRATO-NSHDSACASA-N 1 0 377.279 2.028 20 0 GEADRO COc1cc(F)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000923663572 654474530 /nfs/dbraw/zinc/47/45/30/654474530.db2.gz XOTGORNLBQYGLG-BDAKNGLRSA-N 1 0 388.358 2.121 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000894435082 654475323 /nfs/dbraw/zinc/47/53/23/654475323.db2.gz IYVSUBMRGKRAHW-UHFFFAOYSA-N 1 0 385.917 2.123 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000894435128 654475797 /nfs/dbraw/zinc/47/57/97/654475797.db2.gz KHXLLNXQFAAUJP-LSDHHAIUSA-N 1 0 385.917 2.122 20 0 GEADRO Cn1ncc(I)c1CN1CC[C@H](Cc2ccncc2)C1 ZINC000894436658 654475934 /nfs/dbraw/zinc/47/59/34/654475934.db2.gz AWVKEMNLCBNGDR-CYBMUJFWSA-N 1 0 382.249 2.484 20 0 GEADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CC[NH2+]CC1 ZINC000923681536 654475991 /nfs/dbraw/zinc/47/59/91/654475991.db2.gz LCTQDYFFLPTFRP-UHFFFAOYSA-N 1 0 394.368 2.488 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(F)c(C(F)F)c1)CC2 ZINC000923687309 654476879 /nfs/dbraw/zinc/47/68/79/654476879.db2.gz FXJQOAMJRBGZHK-NSHDSACASA-N 1 0 378.416 2.282 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1Cl ZINC000923686055 654476925 /nfs/dbraw/zinc/47/69/25/654476925.db2.gz CKGXUCNPYXQVEC-ZDUSSCGKSA-N 1 0 388.917 2.176 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000873885818 654477439 /nfs/dbraw/zinc/47/74/39/654477439.db2.gz GOCDKUJHLCMNDW-NSHDSACASA-N 1 0 386.290 2.241 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H](CC[NH3+])C2)ccc1Br ZINC000923698024 654478621 /nfs/dbraw/zinc/47/86/21/654478621.db2.gz WKEACERLNBAURN-LLVKDONJSA-N 1 0 375.288 2.011 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923700506 654479032 /nfs/dbraw/zinc/47/90/32/654479032.db2.gz BGWKZDQQDMJCHT-ZJUUUORDSA-N 1 0 395.294 2.202 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC000923701325 654479288 /nfs/dbraw/zinc/47/92/88/654479288.db2.gz ZREWFMZDKUDXFB-WDEREUQCSA-N 1 0 377.304 2.063 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923701388 654479361 /nfs/dbraw/zinc/47/93/61/654479361.db2.gz UNSCGBCAJXHOSJ-NEPJUHHUSA-N 1 0 382.507 2.293 20 0 GEADRO C[NH+]1CCC(O)(CNC(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC000906855359 654479593 /nfs/dbraw/zinc/47/95/93/654479593.db2.gz HWKLUBFMJFMYSA-UHFFFAOYSA-N 1 0 375.694 2.218 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c(Br)nc3n2CCCC3)CCO1 ZINC000856430660 654481274 /nfs/dbraw/zinc/48/12/74/654481274.db2.gz KBIMITYXCSWHAR-ZDUSSCGKSA-N 1 0 399.333 2.165 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1Cl ZINC000923734569 654481713 /nfs/dbraw/zinc/48/17/13/654481713.db2.gz OEZMBTMFBSJKEE-MRXNPFEDSA-N 1 0 387.889 2.425 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000923738077 654482057 /nfs/dbraw/zinc/48/20/57/654482057.db2.gz DYOBVENWJVPTOX-BDAKNGLRSA-N 1 0 381.267 2.003 20 0 GEADRO Cc1ncc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC000923742754 654482246 /nfs/dbraw/zinc/48/22/46/654482246.db2.gz BQOPYTQEARHREF-UONOGXRCSA-N 1 0 379.507 2.123 20 0 GEADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)c2ccc(Br)cn2)C1 ZINC000923740204 654482343 /nfs/dbraw/zinc/48/23/43/654482343.db2.gz GJUQYZUPDFYUAH-FZNQNYSPSA-N 1 0 396.310 2.182 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)cs1 ZINC000923744983 654482546 /nfs/dbraw/zinc/48/25/46/654482546.db2.gz KOGLIMVINGUBPH-GFCCVEGCSA-N 1 0 380.491 2.251 20 0 GEADRO O=S(=O)(CCC(F)(F)F)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000923745919 654482651 /nfs/dbraw/zinc/48/26/51/654482651.db2.gz YRFRUPUMPSWKBM-QWHCGFSZSA-N 1 0 378.416 2.251 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000906890059 654483263 /nfs/dbraw/zinc/48/32/63/654483263.db2.gz YHLQLVSHSYJGFU-UHFFFAOYSA-N 1 0 385.306 2.163 20 0 GEADRO CC(C)[C@H](C[NH2+]Cc1c(I)cnn1C)c1ccnn1C ZINC000894538115 654484108 /nfs/dbraw/zinc/48/41/08/654484108.db2.gz OUNJVWNUXHJBAK-NSHDSACASA-N 1 0 387.269 2.288 20 0 GEADRO CCc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000873936507 654485116 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/nfs/dbraw/zinc/56/26/42/654562642.db2.gz XTTQCMDRJBFUTQ-KCYZZUKISA-N 1 0 382.302 2.054 20 0 GEADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C1(Br)CC1 ZINC000926183667 654563018 /nfs/dbraw/zinc/56/30/18/654563018.db2.gz OKOFBICIDCNVND-HOCLYGCPSA-N 1 0 381.314 2.362 20 0 GEADRO C[NH2+]CCOCCNC(=O)Nc1ccc(I)c(C)c1C ZINC000926202895 654563295 /nfs/dbraw/zinc/56/32/95/654563295.db2.gz NZAWRLWCCZOCQN-UHFFFAOYSA-N 1 0 391.253 2.266 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC[C@@H]1C[NH3+] ZINC000926195199 654563304 /nfs/dbraw/zinc/56/33/04/654563304.db2.gz WUIPHELYHGEVOU-VHSXEESVSA-N 1 0 397.273 2.229 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000926217635 654563590 /nfs/dbraw/zinc/56/35/90/654563590.db2.gz UHSHZXKGWCDFKE-CYZMBNFOSA-N 1 0 377.254 2.454 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cccc(Br)n3)C2)[C@@H]1C(C)C ZINC000926258710 654564927 /nfs/dbraw/zinc/56/49/27/654564927.db2.gz SLIUMYSDOMIUMU-DEICHXMPSA-N 1 0 396.329 2.444 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CSCc3cscn3)C2)[C@H]1C(C)C ZINC000926259704 654564940 /nfs/dbraw/zinc/56/49/40/654564940.db2.gz VRCFXLDIHDRFFB-AHCXZYCDSA-N 1 0 383.583 2.362 20 0 GEADRO CC(C)[C@H]([NH2+][C@H](C)C1(Br)CC1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000926332201 654568228 /nfs/dbraw/zinc/56/82/28/654568228.db2.gz QOSRSZKXGMQYFE-DOMZBBRYSA-N 1 0 398.349 2.113 20 0 GEADRO Cc1c(Br)cccc1CCNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000926350344 654568841 /nfs/dbraw/zinc/56/88/41/654568841.db2.gz MDZJMFBBVCYPSD-UHFFFAOYSA-N 1 0 398.345 2.398 20 0 GEADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H](Cc2ccc(F)cc2Cl)c2ccco2)C1 ZINC000926509422 654573123 /nfs/dbraw/zinc/57/31/23/654573123.db2.gz ZPHCVIAKGDQXRS-NVXWUHKLSA-N 1 0 387.860 2.495 20 0 GEADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2cnnn2C)cc1Br ZINC000926536804 654573934 /nfs/dbraw/zinc/57/39/34/654573934.db2.gz CHAWPSRMNQFORH-YPMHNXCESA-N 1 0 383.290 2.088 20 0 GEADRO Cn1cc(I)c(C[NH2+][C@H](C2CC2)C2CCOCC2)n1 ZINC000926540156 654574009 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C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nscc1I ZINC000908147525 654608576 /nfs/dbraw/zinc/60/85/76/654608576.db2.gz RCUVYHQGJIVLTO-ZJUUUORDSA-N 1 0 391.278 2.447 20 0 GEADRO CO[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccc(Br)s1 ZINC000907781242 654578679 /nfs/dbraw/zinc/57/86/79/654578679.db2.gz OVCQBQMEMRAZOC-UKRRQHHQSA-N 1 0 391.331 2.113 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nscc1I ZINC000908189258 654611463 /nfs/dbraw/zinc/61/14/63/654611463.db2.gz IPWMKXLUBCAUDT-GXSJLCMTSA-N 1 0 391.278 2.447 20 0 GEADRO CC(C)[C@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000926668953 654579330 /nfs/dbraw/zinc/57/93/30/654579330.db2.gz RVPOOHKKQGHULQ-ZBFHGGJFSA-N 1 0 376.563 2.250 20 0 GEADRO O=C(NCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(Br)cn1 ZINC000926683549 654579953 /nfs/dbraw/zinc/57/99/53/654579953.db2.gz PWAMYFYKLDWLHA-CJNGLKHVSA-N 1 0 382.302 2.369 20 0 GEADRO O=C(NCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(Br)cn1 ZINC000926683548 654580134 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GEADRO CCO[C@H](CNC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl)C[NH+](C)C ZINC000926839505 654583359 /nfs/dbraw/zinc/58/33/59/654583359.db2.gz ZXXKLVQCWJPGQL-XHBSWPGZSA-N 1 0 375.872 2.167 20 0 GEADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000926860373 654583855 /nfs/dbraw/zinc/58/38/55/654583855.db2.gz GJUPLHUISCBGIY-RIEGTJTDSA-N 1 0 380.286 2.349 20 0 GEADRO C[C@@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccns1 ZINC000926877863 654584247 /nfs/dbraw/zinc/58/42/47/654584247.db2.gz JIFBMLIYTGUBRI-OLZOCXBDSA-N 1 0 389.543 2.218 20 0 GEADRO CCO[C@H](CN[C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)C[NH+](C)C ZINC000926961119 654584920 /nfs/dbraw/zinc/58/49/20/654584920.db2.gz OFJFJAVKGYZQKT-GDBMZVCRSA-N 1 0 391.965 2.256 20 0 GEADRO CCO[C@@H](CN[C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)C[NH+](C)C ZINC000926961131 654585157 /nfs/dbraw/zinc/58/51/57/654585157.db2.gz OFJFJAVKGYZQKT-HOCLYGCPSA-N 1 0 391.965 2.256 20 0 GEADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)s2)cc1 ZINC000927024792 654589657 /nfs/dbraw/zinc/58/96/57/654589657.db2.gz DSSJBTUCNULSGM-FZMZJTMJSA-N 1 0 384.523 2.183 20 0 GEADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000927025688 654589883 /nfs/dbraw/zinc/58/98/83/654589883.db2.gz GVTHKTDPPXDZMV-ZIAGYGMSSA-N 1 0 384.498 2.322 20 0 GEADRO CC(C)[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(F)cc(Br)c1 ZINC000927029583 654590243 /nfs/dbraw/zinc/59/02/43/654590243.db2.gz TXSBAOYIPOZPAQ-KBPBESRZSA-N 1 0 382.295 2.280 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000927032132 654590491 /nfs/dbraw/zinc/59/04/91/654590491.db2.gz PSTXQLWQRRSISM-JOYOIKCWSA-N 1 0 376.272 2.251 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1nscc1I ZINC000907930194 654590689 /nfs/dbraw/zinc/59/06/89/654590689.db2.gz MYMPPJNCMUZOCS-SECBINFHSA-N 1 0 379.267 2.304 20 0 GEADRO C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000927040310 654590882 /nfs/dbraw/zinc/59/08/82/654590882.db2.gz ULAUGQKHWKFPJG-ZFWWWQNUSA-N 1 0 382.551 2.415 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1nn(C(C)C)cc1Br ZINC000907933484 654590980 /nfs/dbraw/zinc/59/09/80/654590980.db2.gz AWVKHYABJPOPMH-GFCCVEGCSA-N 1 0 375.311 2.049 20 0 GEADRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000927080129 654591140 /nfs/dbraw/zinc/59/11/40/654591140.db2.gz HDAKAKLBVYSWBN-VHSXEESVSA-N 1 0 383.297 2.097 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000907941719 654591735 /nfs/dbraw/zinc/59/17/35/654591735.db2.gz ZDGMRVWOASZFGI-NEULZYRMSA-N 1 0 385.277 2.406 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000927107646 654592710 /nfs/dbraw/zinc/59/27/10/654592710.db2.gz HGLICJLWIYVNMX-UHFFFAOYSA-N 1 0 396.333 2.405 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000927152006 654595226 /nfs/dbraw/zinc/59/52/26/654595226.db2.gz SYVRHUCCLKWUHD-FZMZJTMJSA-N 1 0 392.301 2.442 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000927152008 654595528 /nfs/dbraw/zinc/59/55/28/654595528.db2.gz SYVRHUCCLKWUHD-RISCZKNCSA-N 1 0 392.301 2.442 20 0 GEADRO COc1ccc(N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)cc1Br ZINC000927201003 654595814 /nfs/dbraw/zinc/59/58/14/654595814.db2.gz GBQDYXGZTKEZPL-CYBMUJFWSA-N 1 0 382.258 2.368 20 0 GEADRO Cc1cc(N2C(=O)N[C@H](C[NH+](C)C)C2=O)nn1-c1ccc(Cl)cc1Cl ZINC000927231678 654596479 /nfs/dbraw/zinc/59/64/79/654596479.db2.gz PLANCGJPYCYPQR-GFCCVEGCSA-N 1 0 382.251 2.474 20 0 GEADRO O=C(NCc1cnc(Br)s1)C1CCC([NH+]2CCOCC2)CC1 ZINC000908030488 654598536 /nfs/dbraw/zinc/59/85/36/654598536.db2.gz VWVGNMBDPMGZHY-UHFFFAOYSA-N 1 0 388.331 2.413 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000908148898 654608602 /nfs/dbraw/zinc/60/86/02/654608602.db2.gz VMEXLEPJYZZOKX-YPMHNXCESA-N 1 0 385.295 2.203 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000908191680 654611673 /nfs/dbraw/zinc/61/16/73/654611673.db2.gz UGCGUNIUKLGZAJ-RISCZKNCSA-N 1 0 385.295 2.203 20 0 GEADRO COC(=O)c1cc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c(C)cc1Br ZINC000908199918 654612242 /nfs/dbraw/zinc/61/22/42/654612242.db2.gz GFNKKMBFYNXVOX-KRWDZBQOSA-N 1 0 399.285 2.329 20 0 GEADRO Cc1c(NC(=O)C(=O)N[C@H](C)C[NH3+])cc(Br)cc1C(F)(F)F ZINC000927798680 654614979 /nfs/dbraw/zinc/61/49/79/654614979.db2.gz RNOIBJGFPWSWFE-ZCFIWIBFSA-N 1 0 382.180 2.178 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNC(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000908238242 654615141 /nfs/dbraw/zinc/61/51/41/654615141.db2.gz VJVJCUSROMHGGY-ZDUSSCGKSA-N 1 0 398.718 2.150 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000927815845 654615434 /nfs/dbraw/zinc/61/54/34/654615434.db2.gz RVIMKFUCXBVSJA-SFYZADRCSA-N 1 0 392.656 2.152 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000927824953 654615964 /nfs/dbraw/zinc/61/59/64/654615964.db2.gz XLYORBYJGCHLSH-NXEZZACHSA-N 1 0 388.693 2.403 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C[C@H]1CC[NH3+] ZINC000927828721 654616231 /nfs/dbraw/zinc/61/62/31/654616231.db2.gz GUJMAMRSKLCEGN-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)n1 ZINC000927840440 654616484 /nfs/dbraw/zinc/61/64/84/654616484.db2.gz BNRBZWALVZYILY-RKDXNWHRSA-N 1 0 378.420 2.117 20 0 GEADRO COc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1Cl ZINC000927846071 654616965 /nfs/dbraw/zinc/61/69/65/654616965.db2.gz PVAUUDUHBYRZGU-ONGXEEELSA-N 1 0 379.766 2.025 20 0 GEADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CC[C@H]1C(F)(F)F ZINC000927848031 654617122 /nfs/dbraw/zinc/61/71/22/654617122.db2.gz ZZWAYJJQUFPZBH-XCBNKYQSSA-N 1 0 385.720 2.295 20 0 GEADRO CSc1cccc(C)c1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927846985 654617132 /nfs/dbraw/zinc/61/71/32/654617132.db2.gz TZTAQBCJEORLPJ-WDEREUQCSA-N 1 0 375.416 2.394 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc(F)cc(Br)c1F)C(C)C ZINC000927864412 654618180 /nfs/dbraw/zinc/61/81/80/654618180.db2.gz AUFRMSNWDZJERT-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)C(C)C ZINC000927865053 654618349 /nfs/dbraw/zinc/61/83/49/654618349.db2.gz MTFGHJDCSHIJCF-UHFFFAOYSA-N 1 0 383.290 2.116 20 0 GEADRO COc1ccc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC000927870072 654618589 /nfs/dbraw/zinc/61/85/89/654618589.db2.gz OPYVQDPQOMLDFZ-RHSMWYFYSA-N 1 0 396.285 2.045 20 0 GEADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000927882215 654619372 /nfs/dbraw/zinc/61/93/72/654619372.db2.gz LHSDOHSJTQVVQV-KRWDZBQOSA-N 1 0 385.917 2.091 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC000927888496 654619868 /nfs/dbraw/zinc/61/98/68/654619868.db2.gz ALVKAASSTXHUSR-UWVGGRQHSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000927889556 654620037 /nfs/dbraw/zinc/62/00/37/654620037.db2.gz SLBRTWDPMNUVBK-LLVKDONJSA-N 1 0 391.269 2.133 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000927889803 654620043 /nfs/dbraw/zinc/62/00/43/654620043.db2.gz JGRIGZAETXNSDE-RYUDHWBXSA-N 1 0 398.301 2.148 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC000927891621 654620470 /nfs/dbraw/zinc/62/04/70/654620470.db2.gz ULIUOGIRZZOVFA-RYUDHWBXSA-N 1 0 398.301 2.230 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1Br ZINC000927891783 654620474 /nfs/dbraw/zinc/62/04/74/654620474.db2.gz PUMLZACHPGAMDJ-QWRGUYRKSA-N 1 0 386.265 2.278 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[C@@H]1C[NH3+] ZINC000927892679 654620488 /nfs/dbraw/zinc/62/04/88/654620488.db2.gz XZOPJMNGVVNVCH-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC000927895578 654620913 /nfs/dbraw/zinc/62/09/13/654620913.db2.gz ZJLLXGDLRXSQPB-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000927927522 654621999 /nfs/dbraw/zinc/62/19/99/654621999.db2.gz BNEJBTIGFZCCJV-JGVFFNPUSA-N 1 0 392.656 2.424 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000927930035 654622332 /nfs/dbraw/zinc/62/23/32/654622332.db2.gz AOMBDTPQGDNKKD-KRWDZBQOSA-N 1 0 396.285 2.141 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cnnn1-c1ccccc1Br ZINC000908412492 654627801 /nfs/dbraw/zinc/62/78/01/654627801.db2.gz DEBAXSJBFBDBLI-DGCLKSJQSA-N 1 0 378.274 2.194 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928087339 654629502 /nfs/dbraw/zinc/62/95/02/654629502.db2.gz BZSIEQLMKXUOHL-KGLIPLIRSA-N 1 0 385.327 2.393 20 0 GEADRO O=C(CCc1nc(-c2ccsc2)no1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928094981 654630087 /nfs/dbraw/zinc/63/00/87/654630087.db2.gz IHRIEYCWXQKRTQ-KGLIPLIRSA-N 1 0 378.523 2.427 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@H](O)c1cccc(Br)c1 ZINC000928096792 654630611 /nfs/dbraw/zinc/63/06/11/654630611.db2.gz BRZAMXGGVFKILR-QLFBSQMISA-N 1 0 385.327 2.179 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(Br)c2nccn2c1 ZINC000928101745 654631071 /nfs/dbraw/zinc/63/10/71/654631071.db2.gz PXEFFDUWZFMHAW-KGLIPLIRSA-N 1 0 395.326 2.406 20 0 GEADRO C[C@@H]1Sc2ccc(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)cc2NC1=O ZINC000928104504 654631335 /nfs/dbraw/zinc/63/13/35/654631335.db2.gz VOYPZIGKMYZDIB-CORIIIEPSA-N 1 0 377.535 2.429 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000908602600 654635329 /nfs/dbraw/zinc/63/53/29/654635329.db2.gz OKRBVGBLGWMXHS-INIZCTEOSA-N 1 0 397.313 2.104 20 0 GEADRO COc1cc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)sc1Br ZINC000908603017 654635399 /nfs/dbraw/zinc/63/53/99/654635399.db2.gz RMQBUCJIHLBEDC-UHFFFAOYSA-N 1 0 391.331 2.484 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000928354657 654641782 /nfs/dbraw/zinc/64/17/82/654641782.db2.gz RWKAKWOVBJQVBZ-HOTGVXAUSA-N 1 0 380.286 2.228 20 0 GEADRO C[C@@H]1[C@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000928442971 654647419 /nfs/dbraw/zinc/64/74/19/654647419.db2.gz CJJCHRAJGZBYTP-BYCMXARLSA-N 1 0 380.286 2.011 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928459045 654648347 /nfs/dbraw/zinc/64/83/47/654648347.db2.gz YMSYZVSBONRUIR-WQVCFCJDSA-N 1 0 383.945 2.400 20 0 GEADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2ncc(Br)cn2n1 ZINC000909284357 654658678 /nfs/dbraw/zinc/65/86/78/654658678.db2.gz CLPGERYNRYALGV-UHFFFAOYSA-N 1 0 378.274 2.239 20 0 GEADRO Cc1c(Br)scc1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909317725 654659190 /nfs/dbraw/zinc/65/91/90/654659190.db2.gz HMBLIQPHSQQKMT-UHFFFAOYSA-N 1 0 388.331 2.151 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)c1cc(Br)c[nH]c1=O)c1cccnc1 ZINC000928832952 654662007 /nfs/dbraw/zinc/66/20/07/654662007.db2.gz YJCNHQDKCDVHBN-AWEZNQCLSA-N 1 0 379.258 2.368 20 0 GEADRO CC1([NH+]2CCCC2)CCC(NC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000929210574 654675820 /nfs/dbraw/zinc/67/58/20/654675820.db2.gz QKURTLCSAZLIBK-VEAWUBTESA-N 1 0 376.328 2.210 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000929236960 654676509 /nfs/dbraw/zinc/67/65/09/654676509.db2.gz OFTQMSFVWGEIAH-UHFFFAOYSA-N 1 0 381.929 2.245 20 0 GEADRO Cn1cc(Br)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1=O ZINC000929343522 654680236 /nfs/dbraw/zinc/68/02/36/654680236.db2.gz LZQDUIBEYCVOLZ-CQSZACIVSA-N 1 0 394.269 2.308 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(Br)nc2N)CC1 ZINC000929427326 654683691 /nfs/dbraw/zinc/68/36/91/654683691.db2.gz IDCHPMNHRWUBDJ-GASCZTMLSA-N 1 0 396.377 2.417 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(Br)nc2N)CC1 ZINC000929427327 654683833 /nfs/dbraw/zinc/68/38/33/654683833.db2.gz IDCHPMNHRWUBDJ-GJZGRUSLSA-N 1 0 396.377 2.417 20 0 GEADRO CC[NH+]1CCC(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000929458412 654684586 /nfs/dbraw/zinc/68/45/86/654684586.db2.gz IOUNPZXFRROIAE-AWEZNQCLSA-N 1 0 380.286 2.475 20 0 GEADRO Cc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cnc1Br ZINC000929523980 654686355 /nfs/dbraw/zinc/68/63/55/654686355.db2.gz OGTYNSBVUAJMGL-UHFFFAOYSA-N 1 0 381.318 2.006 20 0 GEADRO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC000929701008 654690384 /nfs/dbraw/zinc/69/03/84/654690384.db2.gz OXYXAPGKQDWWKA-CQSZACIVSA-N 1 0 386.945 2.495 20 0 GEADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC[S@](=O)C(F)(F)F)C1 ZINC000929720985 654690833 /nfs/dbraw/zinc/69/08/33/654690833.db2.gz LYJIXUOMBDILEL-ZZDSUILFSA-N 1 0 382.370 2.378 20 0 GEADRO O=C(Nc1nnc(-c2ccsc2)s1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929908718 654694725 /nfs/dbraw/zinc/69/47/25/654694725.db2.gz LOHHRWJVWKJZKM-STQMWFEESA-N 1 0 379.511 2.330 20 0 GEADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929926958 654695328 /nfs/dbraw/zinc/69/53/28/654695328.db2.gz NMCBVYAKGKSGAS-INIZCTEOSA-N 1 0 397.313 2.376 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000930120994 654700062 /nfs/dbraw/zinc/70/00/62/654700062.db2.gz NXTBTCZZAVQLSR-ONEGZZNKSA-N 1 0 394.313 2.085 20 0 GEADRO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H](O)C[C@@]2(O)CCOC2)C3)cs1 ZINC000930175148 654701216 /nfs/dbraw/zinc/70/12/16/654701216.db2.gz QUHFNCIKUBMCHS-KDOFPFPSSA-N 1 0 380.535 2.441 20 0 GEADRO Cc1cc([C@H](C)[NH2+]CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c(C)s1 ZINC000930198223 654701634 /nfs/dbraw/zinc/70/16/34/654701634.db2.gz YAYHTOISLAJGQG-NSHDSACASA-N 1 0 379.448 2.495 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)NCCCC[NH+]2CCN(C)CC2)n1 ZINC000930203875 654701777 /nfs/dbraw/zinc/70/17/77/654701777.db2.gz GDYBCVNLRWNUNU-UHFFFAOYSA-N 1 0 398.349 2.120 20 0 GEADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ncc(Br)cn3)cc2)CC1 ZINC000930217196 654702174 /nfs/dbraw/zinc/70/21/74/654702174.db2.gz SGDJZUOYGYLTHY-UHFFFAOYSA-N 1 0 390.285 2.239 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1cscc1Br ZINC000910672323 654705813 /nfs/dbraw/zinc/70/58/13/654705813.db2.gz CQARICNFPADANB-UHFFFAOYSA-N 1 0 390.347 2.269 20 0 GEADRO Cn1cc(C2=NC[C@@H](C[NH2+][C@@H]3CCOc4c(Br)cccc43)O2)cn1 ZINC000930330585 654706163 /nfs/dbraw/zinc/70/61/63/654706163.db2.gz HPLOUWVIYBOJRD-IUODEOHRSA-N 1 0 391.269 2.441 20 0 GEADRO Cc1cccc(C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)c1Br ZINC000930342121 654706610 /nfs/dbraw/zinc/70/66/10/654706610.db2.gz FWAMBSZRLKTIRZ-UHFFFAOYSA-N 1 0 392.301 2.472 20 0 GEADRO CCN1CC[C@@H]([NH2+]CC2CN(S(C)(=O)=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000930356900 654706777 /nfs/dbraw/zinc/70/67/77/654706777.db2.gz LAMKLCYKBSUMOO-SJORKVTESA-N 1 0 389.924 2.095 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000930369768 654707563 /nfs/dbraw/zinc/70/75/63/654707563.db2.gz XVDYCOGSAZSPOQ-IAQYHMDHSA-N 1 0 392.297 2.475 20 0 GEADRO C[C@@](O)(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000930368491 654707608 /nfs/dbraw/zinc/70/76/08/654707608.db2.gz SZTZECFSWJAATF-DIFFPNOSSA-N 1 0 385.277 2.396 20 0 GEADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000930369772 654707618 /nfs/dbraw/zinc/70/76/18/654707618.db2.gz XVDYCOGSAZSPOQ-XHDPSFHLSA-N 1 0 392.297 2.475 20 0 GEADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000930519707 654712332 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377.794 2.255 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[C@H]1C[NH3+] ZINC000911041401 654715969 /nfs/dbraw/zinc/71/59/69/654715969.db2.gz WIXIZGSKWFDALF-OCCSQVGLSA-N 1 0 386.323 2.486 20 0 GEADRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(Br)[nH]c2=O)C[C@@H](C)O1 ZINC000930673649 654716472 /nfs/dbraw/zinc/71/64/72/654716472.db2.gz ABJQELJHRCRVJX-UPJWGTAASA-N 1 0 398.301 2.264 20 0 GEADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000930674235 654716705 /nfs/dbraw/zinc/71/67/05/654716705.db2.gz GRXBARNHFGMIPM-RISCZKNCSA-N 1 0 378.270 2.228 20 0 GEADRO OC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C[C@H]1O ZINC000930698942 654717361 /nfs/dbraw/zinc/71/73/61/654717361.db2.gz BZWXYACEJBBDIP-QXAKKESOSA-N 1 0 392.293 2.435 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2nc(C(C)C)ncc2Br)CC1 ZINC000930714136 654717927 /nfs/dbraw/zinc/71/79/27/654717927.db2.gz AZIZEVDVQUHNKO-UHFFFAOYSA-N 1 0 385.306 2.203 20 0 GEADRO 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[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000911560109 654726114 /nfs/dbraw/zinc/72/61/14/654726114.db2.gz KSEGPSXJERPUNF-XHBSWPGZSA-N 1 0 375.519 2.137 20 0 GEADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000911582438 654727162 /nfs/dbraw/zinc/72/71/62/654727162.db2.gz QQZKSODZJYAXRO-LZWOXQAQSA-N 1 0 393.281 2.274 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000931044790 654727744 /nfs/dbraw/zinc/72/77/44/654727744.db2.gz YUWBFOMGLXQDSO-DOMZBBRYSA-N 1 0 375.332 2.247 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000911633925 654728295 /nfs/dbraw/zinc/72/82/95/654728295.db2.gz JTWGUZRRMMBZSK-FZMZJTMJSA-N 1 0 380.286 2.333 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(Br)cnc1Br ZINC000911706726 654730180 /nfs/dbraw/zinc/73/01/80/654730180.db2.gz HOWFVLXWCTZKLX-QMMMGPOBSA-N 1 0 377.080 2.336 20 0 GEADRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000911708334 654730175 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Cn1[nH]c(=O)c2c1CN(CC(=O)NCCc1cccc(Cl)c1Cl)CC2 ZINC000931195591 654732984 /nfs/dbraw/zinc/73/29/84/654732984.db2.gz AHZZGGAJQFTGFG-UHFFFAOYSA-N 1 0 383.279 2.150 20 0 GEADRO CCOc1ccc([C@]2(C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC2(Cl)Cl)cc1 ZINC000911879346 654735023 /nfs/dbraw/zinc/73/50/23/654735023.db2.gz DQMWQFDHPKBITF-NUTKFTJISA-N 1 0 387.307 2.475 20 0 GEADRO CN(C)C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000931256545 654735898 /nfs/dbraw/zinc/73/58/98/654735898.db2.gz MQHJHNJJHDEZNN-HNNXBMFYSA-N 1 0 380.341 2.077 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N(CCO)C2CC[NH+](C)CC2)c(Br)c1 ZINC000911935381 654736626 /nfs/dbraw/zinc/73/66/26/654736626.db2.gz RNBBJPQKEXITEU-AWEZNQCLSA-N 1 0 399.329 2.440 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911938652 654736907 /nfs/dbraw/zinc/73/69/07/654736907.db2.gz KQMKZKPZZSBXNR-ZDUSSCGKSA-N 1 0 385.302 2.132 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)c2nc(Br)sc2Cl)CC1 ZINC000911945401 654737247 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Cc1ccc(-c2csc(NC(=O)C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@@H]43)n2)s1 ZINC000912077494 654742423 /nfs/dbraw/zinc/74/24/23/654742423.db2.gz MIFGESYQMOESPH-GYSYKLTISA-N 1 0 397.547 2.141 20 0 GEADRO COC(=O)c1ccc(Br)c(CN2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931479414 654743364 /nfs/dbraw/zinc/74/33/64/654743364.db2.gz QVHSVHVLDVQWNS-UHFFFAOYSA-N 1 0 385.302 2.124 20 0 GEADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931488117 654743967 /nfs/dbraw/zinc/74/39/67/654743967.db2.gz OSJXCLMEQCZHJY-UHFFFAOYSA-N 1 0 388.339 2.340 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)NCCCCc2ccccc2)c1=O ZINC000912166261 654744065 /nfs/dbraw/zinc/74/40/65/654744065.db2.gz LPXPIUIVGXZNQU-UHFFFAOYSA-N 1 0 392.297 2.322 20 0 GEADRO OCCCCC[NH+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000931500397 654744359 /nfs/dbraw/zinc/74/43/59/654744359.db2.gz RWBMWTZDMOXSQC-UHFFFAOYSA-N 1 0 399.289 2.372 20 0 GEADRO Nc1cc[nH+]c2c1CN(C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000931510690 654744551 /nfs/dbraw/zinc/74/45/51/654744551.db2.gz WEBKXRJJBQNPSA-ZDUSSCGKSA-N 1 0 378.270 2.224 20 0 GEADRO Cc1cnc(Br)c(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000931507831 654744715 /nfs/dbraw/zinc/74/47/15/654744715.db2.gz DZTRUUFJUXMZSO-KBPBESRZSA-N 1 0 383.290 2.215 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccnc(Br)c3)CC2)C1 ZINC000931557308 654746857 /nfs/dbraw/zinc/74/68/57/654746857.db2.gz WGAZQPCJBXPZTF-AWEZNQCLSA-N 1 0 382.306 2.088 20 0 GEADRO O=C(Nc1nnc(C2CCOCC2)s1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931568378 654747064 /nfs/dbraw/zinc/74/70/64/654747064.db2.gz FIYKMGJCBRSBBF-CHWSQXEVSA-N 1 0 383.543 2.133 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1nscc1I ZINC000912283228 654748763 /nfs/dbraw/zinc/74/87/63/654748763.db2.gz IBHANTGHQPHGMV-MRVPVSSYSA-N 1 0 379.267 2.350 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000931642684 654750576 /nfs/dbraw/zinc/75/05/76/654750576.db2.gz ARSLTLNWMMYJPX-OAHLLOKOSA-N 1 0 396.333 2.396 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000912346871 654750637 /nfs/dbraw/zinc/75/06/37/654750637.db2.gz HNQJZOITUOZGIO-UHFFFAOYSA-N 1 0 398.301 2.231 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000931664776 654751948 /nfs/dbraw/zinc/75/19/48/654751948.db2.gz VCJHKTCIHZBSMH-WCQYABFASA-N 1 0 380.286 2.428 20 0 GEADRO COC1(OC)CCOC[C@@H]1[NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000931670685 654752182 /nfs/dbraw/zinc/75/21/82/654752182.db2.gz NJAGQOQRKMYPMJ-PSLXWICFSA-N 1 0 382.309 2.469 20 0 GEADRO COC1(OC)CCOC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000931668307 654752261 /nfs/dbraw/zinc/75/22/61/654752261.db2.gz PGDRNAVNCZTSNQ-XHDPSFHLSA-N 1 0 380.268 2.101 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000912404229 654752771 /nfs/dbraw/zinc/75/27/71/654752771.db2.gz WIKXQPMFUAWYNS-MRXNPFEDSA-N 1 0 384.318 2.287 20 0 GEADRO COC1(OC)CCOC[C@H]1[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931677329 654753260 /nfs/dbraw/zinc/75/32/60/654753260.db2.gz QOSOZCIOEASMNK-DZGCQCFKSA-N 1 0 380.268 2.101 20 0 GEADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](CO)c2ccc(Br)cc2)CC(C)(C)O1 ZINC000931690148 654753525 /nfs/dbraw/zinc/75/35/25/654753525.db2.gz LVNNFSAYFINVOQ-IUODEOHRSA-N 1 0 385.302 2.098 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N2CCOc3ccc(Br)cc32)cn1 ZINC000912433165 654753879 /nfs/dbraw/zinc/75/38/79/654753879.db2.gz PGYNGFCSIVLHPV-UHFFFAOYSA-N 1 0 379.258 2.246 20 0 GEADRO COC(=O)C[C@@H](NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)c1ccc(Br)cc1 ZINC000912455392 654754633 /nfs/dbraw/zinc/75/46/33/654754633.db2.gz VKPKZLDRGGBNRJ-QKGCVVFFSA-N 1 0 381.270 2.153 20 0 GEADRO CN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000912463362 654755446 /nfs/dbraw/zinc/75/54/46/654755446.db2.gz PYWAGQFBWPZONL-RHSMWYFYSA-N 1 0 375.296 2.332 20 0 GEADRO C[C@@H](CNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[N@H+](C)C1CC1 ZINC000931780883 654756731 /nfs/dbraw/zinc/75/67/31/654756731.db2.gz UIWXEDWGFXZNPK-GXFFZTMASA-N 1 0 380.286 2.474 20 0 GEADRO CC[N@H+](C)C[C@H](O)CN1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000931800162 654757752 /nfs/dbraw/zinc/75/77/52/654757752.db2.gz SLCSZURPQHWGCT-MAUKXSAKSA-N 1 0 393.329 2.432 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)COc2ccccc2Br)CC1 ZINC000912587252 654760154 /nfs/dbraw/zinc/76/01/54/654760154.db2.gz NEAWWDXFDGQTMK-UHFFFAOYSA-N 1 0 399.329 2.427 20 0 GEADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932007743 654763785 /nfs/dbraw/zinc/76/37/85/654763785.db2.gz FWNNIRBQCHUKHR-DZGCQCFKSA-N 1 0 397.313 2.491 20 0 GEADRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000932067018 654765306 /nfs/dbraw/zinc/76/53/06/654765306.db2.gz LYGQXDZECLVCOH-HZPDHXFCSA-N 1 0 378.460 2.462 20 0 GEADRO CCO[C@H](CNC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)C[NH+](C)C ZINC000932089286 654766586 /nfs/dbraw/zinc/76/65/86/654766586.db2.gz JZKKSYXSNKXIBH-SSDOTTSWSA-N 1 0 391.366 2.280 20 0 GEADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc2ncc(Br)cn2n1 ZINC000912764812 654766673 /nfs/dbraw/zinc/76/66/73/654766673.db2.gz KYODFARWEFDRNN-ZDUSSCGKSA-N 1 0 392.301 2.344 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(F)(F)c1cccc(Br)c1 ZINC000932186401 654769367 /nfs/dbraw/zinc/76/93/67/654769367.db2.gz MUDQJDSDOJOYLI-LBPRGKRZSA-N 1 0 390.272 2.293 20 0 GEADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000932203323 654769909 /nfs/dbraw/zinc/76/99/09/654769909.db2.gz MSGMTAKIAYILGX-CQSZACIVSA-N 1 0 381.523 2.124 20 0 GEADRO O=C(c1cc(I)c(F)cc1F)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912912937 654774069 /nfs/dbraw/zinc/77/40/69/654774069.db2.gz FLHZBEAQSUWWOQ-SECBINFHSA-N 1 0 392.187 2.490 20 0 GEADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912912774 654774168 /nfs/dbraw/zinc/77/41/68/654774168.db2.gz DLZVAQMPMNFZPS-SECBINFHSA-N 1 0 392.187 2.490 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000932311349 654774788 /nfs/dbraw/zinc/77/47/88/654774788.db2.gz PWQAMFXVIHQYFD-RISCZKNCSA-N 1 0 380.286 2.333 20 0 GEADRO Cn1cc(Br)c(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1=O ZINC000932416257 654777102 /nfs/dbraw/zinc/77/71/02/654777102.db2.gz MCDUPNMLXHGKLV-ZDUSSCGKSA-N 1 0 390.281 2.281 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(F)cc(Br)c1F ZINC000932475765 654778903 /nfs/dbraw/zinc/77/89/03/654778903.db2.gz XDEBNKQWEJRTPL-UHFFFAOYSA-N 1 0 390.272 2.437 20 0 GEADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ncc(Br)cn1 ZINC000932539074 654780676 /nfs/dbraw/zinc/78/06/76/654780676.db2.gz WYNKKJBNTQICCF-UHFFFAOYSA-N 1 0 383.290 2.004 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC(Cc3cccc(Br)c3)C2)C1 ZINC000913093011 654782219 /nfs/dbraw/zinc/78/22/19/654782219.db2.gz HIVWVHKOZWJYEV-GOSISDBHSA-N 1 0 381.314 2.297 20 0 GEADRO O=C(N1CCC(C[NH+]2CCCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000932704544 654786064 /nfs/dbraw/zinc/78/60/64/654786064.db2.gz KTONHHKBSDBDLO-UHFFFAOYSA-N 1 0 381.318 2.469 20 0 GEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3C(=S)N=NC3c3cccs3)C[C@@]2(C)C1 ZINC000913290724 654787598 /nfs/dbraw/zinc/78/75/98/654787598.db2.gz LCBRZJXUDYKEPC-CALCHBBNSA-N 1 0 377.539 2.096 20 0 GEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3nscc3I)C[C@@]2(C)C1 ZINC000913274922 654787611 /nfs/dbraw/zinc/78/76/11/654787611.db2.gz QRYFHDWLPVROTO-BETUJISGSA-N 1 0 391.278 2.162 20 0 GEADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)C[C@@]2(C)C1 ZINC000913291738 654788020 /nfs/dbraw/zinc/78/80/20/654788020.db2.gz ZJMNKBWUKIOXLK-CALCHBBNSA-N 1 0 385.917 2.125 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000913389442 654790157 /nfs/dbraw/zinc/79/01/57/654790157.db2.gz VQUONQQLHGDDFU-OAHLLOKOSA-N 1 0 384.318 2.085 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000932791904 654790695 /nfs/dbraw/zinc/79/06/95/654790695.db2.gz CZTKQUVVEQXOAC-BXUZGUMPSA-N 1 0 380.286 2.285 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ccc(Br)cc23)C1 ZINC000913427908 654791689 /nfs/dbraw/zinc/79/16/89/654791689.db2.gz PLPFUMMTRGTFAI-AWEZNQCLSA-N 1 0 394.313 2.434 20 0 GEADRO C[C@H]1CN(CC[N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)CCO1 ZINC000932818204 654792220 /nfs/dbraw/zinc/79/22/20/654792220.db2.gz QBZNUCYBKLUZHX-YJBOKZPZSA-N 1 0 383.330 2.453 20 0 GEADRO Cc1cc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000932951920 654796916 /nfs/dbraw/zinc/79/69/16/654796916.db2.gz KLNDPSZLVDWQCD-CYBMUJFWSA-N 1 0 380.901 2.216 20 0 GEADRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000932955877 654797617 /nfs/dbraw/zinc/79/76/17/654797617.db2.gz MHVPTMNHTOOSOE-NSHDSACASA-N 1 0 384.299 2.108 20 0 GEADRO O=C(CC[NH2+][C@@H]1C(=O)NCC12CCOCC2)Nc1cc(Cl)ccc1Cl ZINC000933036934 654800796 /nfs/dbraw/zinc/80/07/96/654800796.db2.gz OBVHUYCOPOJCST-OAHLLOKOSA-N 1 0 386.279 2.207 20 0 GEADRO O=C(NC12CC[NH+](CC1)C2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000913630091 654801982 /nfs/dbraw/zinc/80/19/82/654801982.db2.gz YGZNWORSGYHXBR-UHFFFAOYSA-N 1 0 379.233 2.352 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000933176166 654803935 /nfs/dbraw/zinc/80/39/35/654803935.db2.gz SUOSIFMDFNPRBE-UHFFFAOYSA-N 1 0 382.302 2.337 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000913679024 654803911 /nfs/dbraw/zinc/80/39/11/654803911.db2.gz IXKFCFHQQFCHFO-UHFFFAOYSA-N 1 0 377.229 2.256 20 0 GEADRO O=C(Cc1ccc(Br)cc1F)N1CC[NH+](CCCCCO)CC1 ZINC000913694736 654804641 /nfs/dbraw/zinc/80/46/41/654804641.db2.gz CAQZSERRZYTBAF-UHFFFAOYSA-N 1 0 387.293 2.438 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1c(F)ccc(Br)c1F ZINC000933291888 654806625 /nfs/dbraw/zinc/80/66/25/654806625.db2.gz WGKZBQMCGFPYDY-JTQLQIEISA-N 1 0 391.260 2.485 20 0 GEADRO C[NH+](C)CCn1nccc1C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000913767704 654808419 /nfs/dbraw/zinc/80/84/19/654808419.db2.gz NOTSYLRFQNCCAE-USXIJHARSA-N 1 0 389.297 2.275 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1nscc1I ZINC000913815767 654810683 /nfs/dbraw/zinc/81/06/83/654810683.db2.gz QTZDTHORNWRRES-NXEZZACHSA-N 1 0 377.251 2.056 20 0 GEADRO C[C@@H](NC(=O)c1cc(F)cc(Br)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC000933388422 654811357 /nfs/dbraw/zinc/81/13/57/654811357.db2.gz SRNACGDJXAUKPH-RNCFNFMXSA-N 1 0 376.245 2.091 20 0 GEADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCc1cccnc1 ZINC000933436233 654812640 /nfs/dbraw/zinc/81/26/40/654812640.db2.gz BOIJQIPCLBLHCH-SFHVURJKSA-N 1 0 392.297 2.044 20 0 GEADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436754 654812875 /nfs/dbraw/zinc/81/28/75/654812875.db2.gz HGUJWJFAMSYTED-CQSZACIVSA-N 1 0 397.235 2.353 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000933491639 654814925 /nfs/dbraw/zinc/81/49/25/654814925.db2.gz PTNYSDDFNWDYDQ-UHFFFAOYSA-N 1 0 397.269 2.254 20 0 GEADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@@H]3CC3(Cl)Cl)C2)[C@H]1C(C)C ZINC000913904473 654815358 /nfs/dbraw/zinc/81/53/58/654815358.db2.gz NISBDJFAIZEQAJ-YTBGYOSVSA-N 1 0 378.344 2.349 20 0 GEADRO O=S(=O)(Cc1ccsc1Br)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000913913211 654815600 /nfs/dbraw/zinc/81/56/00/654815600.db2.gz VZUWCZXXPQGTJM-JTQLQIEISA-N 1 0 379.345 2.414 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(Br)cn2ncnc12 ZINC000933623629 654818121 /nfs/dbraw/zinc/81/81/21/654818121.db2.gz SCNAXZYSWXPWDE-ZDUSSCGKSA-N 1 0 380.290 2.438 20 0 GEADRO O=C(NCC1(n2cc(Br)cn2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000913981871 654820337 /nfs/dbraw/zinc/82/03/37/654820337.db2.gz UQRGYGBRSLEFQN-UHFFFAOYSA-N 1 0 382.306 2.061 20 0 GEADRO O=C(CC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)Nc1cccc(C(F)(F)F)c1 ZINC000933726088 654821454 /nfs/dbraw/zinc/82/14/54/654821454.db2.gz KJWRMXXXQLQGPK-TXEJJXNPSA-N 1 0 376.400 2.010 20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@]2(C)C1 ZINC000933733054 654822198 /nfs/dbraw/zinc/82/21/98/654822198.db2.gz ZTWBTYHCDITLCK-VMGRFDJRSA-N 1 0 387.293 2.211 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CCCC(C)(F)F)CC1 ZINC000914024467 654822229 /nfs/dbraw/zinc/82/22/29/654822229.db2.gz HLNGJKLTGAHOKN-IYBDPMFKSA-N 1 0 381.533 2.242 20 0 GEADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccccc1Br)C2 ZINC000933756439 654826617 /nfs/dbraw/zinc/82/66/17/654826617.db2.gz VMEWGXHNLBCQAF-SJCJKPOMSA-N 1 0 380.286 2.365 20 0 GEADRO Cn1c(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)nc2ccc(Br)cc21 ZINC000933762174 654826870 /nfs/dbraw/zinc/82/68/70/654826870.db2.gz RKXYSELVCFOPTD-GTNSWQLSSA-N 1 0 377.286 2.423 20 0 GEADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)Oc1ccc(Br)cc1 ZINC000933775392 654827259 /nfs/dbraw/zinc/82/72/59/654827259.db2.gz HNOHUXAVQLZMFX-CYBMUJFWSA-N 1 0 385.302 2.443 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)C1 ZINC000914111231 654827352 /nfs/dbraw/zinc/82/73/52/654827352.db2.gz XKPJGCDYVQHNRP-NSHDSACASA-N 1 0 391.320 2.172 20 0 GEADRO O=C(c1cc(=O)[nH]cc1Br)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000933916135 654829921 /nfs/dbraw/zinc/82/99/21/654829921.db2.gz OTDHJJOLRHAZBO-UHFFFAOYSA-N 1 0 398.301 2.267 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933975389 654832222 /nfs/dbraw/zinc/83/22/22/654832222.db2.gz FVFGRYKLNWRYND-GJZGRUSLSA-N 1 0 377.447 2.485 20 0 GEADRO CN1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@H+](C)CC1 ZINC000933993241 654833674 /nfs/dbraw/zinc/83/36/74/654833674.db2.gz VKLXQMVSOHWJST-KRWDZBQOSA-N 1 0 385.339 2.278 20 0 GEADRO COCCOc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Br ZINC000933991876 654833711 /nfs/dbraw/zinc/83/37/11/654833711.db2.gz TWUAEUUJAMHSIV-BETUJISGSA-N 1 0 398.301 2.500 20 0 GEADRO Cc1ccc(NC(=O)[C@H](C)N2CCN(C)CC[N@H+](C)CC2)c(Br)c1 ZINC000933998973 654833884 /nfs/dbraw/zinc/83/38/84/654833884.db2.gz UFZIZMQXQCOURY-HNNXBMFYSA-N 1 0 397.361 2.264 20 0 GEADRO Cc1ccc(NC(=O)[C@@H](C)N2CCN(C)CC[N@H+](C)CC2)c(Br)c1 ZINC000933998974 654833899 /nfs/dbraw/zinc/83/38/99/654833899.db2.gz UFZIZMQXQCOURY-OAHLLOKOSA-N 1 0 397.361 2.264 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(=O)[nH]cc2Br)C1 ZINC000934002464 654833964 /nfs/dbraw/zinc/83/39/64/654833964.db2.gz VTGYNNDUZIRJIB-LBPRGKRZSA-N 1 0 386.290 2.123 20 0 GEADRO Nc1nc(Br)ccc1C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1 ZINC000934053876 654835374 /nfs/dbraw/zinc/83/53/74/654835374.db2.gz JBZAQZYWAUCLSR-UHFFFAOYSA-N 1 0 397.317 2.078 20 0 GEADRO O=C1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)CCCCCN1 ZINC000934164401 654837359 /nfs/dbraw/zinc/83/73/59/654837359.db2.gz SPSCONRTYPQERR-HNNXBMFYSA-N 1 0 385.302 2.181 20 0 GEADRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000934164015 654837429 /nfs/dbraw/zinc/83/74/29/654837429.db2.gz AELNJKIRDDRTDO-UHFFFAOYSA-N 1 0 386.290 2.123 20 0 GEADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)Oc1ccccc1Br ZINC000934169330 654837635 /nfs/dbraw/zinc/83/76/35/654837635.db2.gz VSWMQKXEYVXLSD-CYBMUJFWSA-N 1 0 385.302 2.443 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1ccsc1Br ZINC000914244299 654838381 /nfs/dbraw/zinc/83/83/81/654838381.db2.gz GBGYMIBSSWZOAN-JOYOIKCWSA-N 1 0 379.345 2.413 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934255722 654840317 /nfs/dbraw/zinc/84/03/17/654840317.db2.gz NFHWZEOHYQFTAV-ZDUSSCGKSA-N 1 0 383.290 2.339 20 0 GEADRO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000914274658 654841004 /nfs/dbraw/zinc/84/10/04/654841004.db2.gz RCSGPGXWDYWVTA-QWRGUYRKSA-N 1 0 384.274 2.285 20 0 GEADRO Cc1c(Br)cncc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934274324 654842409 /nfs/dbraw/zinc/84/24/09/654842409.db2.gz QWOZRLAXLJCXHA-CABCVRRESA-N 1 0 383.290 2.215 20 0 GEADRO CC(C)C[C@H](NS(=O)(=O)c1cscc1C(F)F)C(=O)NCC[NH+](C)C ZINC000914301112 654843263 /nfs/dbraw/zinc/84/32/63/654843263.db2.gz OPPKPSBMCOIQCH-LBPRGKRZSA-N 1 0 397.513 2.057 20 0 GEADRO Cc1ccc(CC(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000934307251 654843627 /nfs/dbraw/zinc/84/36/27/654843627.db2.gz CBHKCTPSCSWRIW-INIZCTEOSA-N 1 0 386.945 2.158 20 0 GEADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000934324950 654844407 /nfs/dbraw/zinc/84/44/07/654844407.db2.gz LBZAUFPZHVWTRD-SNVBAGLBSA-N 1 0 399.255 2.181 20 0 GEADRO Cn1c(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)nc2cccc(Cl)c21 ZINC000914389806 654850160 /nfs/dbraw/zinc/85/01/60/654850160.db2.gz IJXDPQQFIWLASG-KRWDZBQOSA-N 1 0 382.917 2.132 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(Br)cn2ncnc12 ZINC000934490920 654850409 /nfs/dbraw/zinc/85/04/09/654850409.db2.gz AVEVKUFKCFSIDN-UHFFFAOYSA-N 1 0 392.257 2.289 20 0 GEADRO CC(C)S(=O)(=O)CCC[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934497010 654851235 /nfs/dbraw/zinc/85/12/35/654851235.db2.gz GUVGUJCOFWIOIR-HNNXBMFYSA-N 1 0 378.332 2.460 20 0 GEADRO C[C@@](CO)([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000934497297 654851249 /nfs/dbraw/zinc/85/12/49/654851249.db2.gz SMLWOOJBGHPAPG-AWEZNQCLSA-N 1 0 376.316 2.071 20 0 GEADRO COC(=O)c1sc(NC(=O)C[NH2+]C(C)(C)CSC)c(C(=O)OC)c1C ZINC000934673346 654855403 /nfs/dbraw/zinc/85/54/03/654855403.db2.gz VBQPNXCRIYQMJF-UHFFFAOYSA-N 1 0 388.511 2.299 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(Br)cc2OC(F)F)C1 ZINC000934742907 654857163 /nfs/dbraw/zinc/85/71/63/654857163.db2.gz KSYNBJOBTFAMQI-AWEZNQCLSA-N 1 0 394.216 2.239 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)n1 ZINC000934783620 654859630 /nfs/dbraw/zinc/85/96/30/654859630.db2.gz FPNXCFYHXDMLKS-AWEZNQCLSA-N 1 0 382.302 2.479 20 0 GEADRO OC[C@H]([NH2+]CC1(O)CCSCC1)c1ccccc1I ZINC000934825401 654861289 /nfs/dbraw/zinc/86/12/89/654861289.db2.gz DIJTTWMIWYNYKF-ZDUSSCGKSA-N 1 0 393.290 2.172 20 0 GEADRO Cn1cncc1CCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934827438 654861849 /nfs/dbraw/zinc/86/18/49/654861849.db2.gz WBCCWSCEALVPEI-HNNXBMFYSA-N 1 0 385.249 2.281 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2c(Cl)cncc2Cl)CC1 ZINC000915069679 654862426 /nfs/dbraw/zinc/86/24/26/654862426.db2.gz GFVUJEXRFYSQGT-UHFFFAOYSA-N 1 0 385.295 2.334 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(=O)[nH]cc1Br ZINC000934911768 654866243 /nfs/dbraw/zinc/86/62/43/654866243.db2.gz DEQMHYGVPDRCRZ-GJZGRUSLSA-N 1 0 398.301 2.047 20 0 GEADRO C[C@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@H]1CN(C)CCO1 ZINC000934966800 654868298 /nfs/dbraw/zinc/86/82/98/654868298.db2.gz SJSGFRBSOCCMQT-IINYFYTJSA-N 1 0 384.267 2.023 20 0 GEADRO CCOc1ccc(Br)c(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c1F ZINC000934964673 654868436 /nfs/dbraw/zinc/86/84/36/654868436.db2.gz FTTKDQRHMUNWNC-GWCFXTLKSA-N 1 0 389.265 2.436 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cnc1Br ZINC000935017171 654871359 /nfs/dbraw/zinc/87/13/59/654871359.db2.gz KWMSBBIGCLZOQF-SOUVJXGZSA-N 1 0 382.302 2.476 20 0 GEADRO CS[C@@H]1CN(C(=O)c2cc3cc(Br)cnc3n2C)C[C@@H]1[NH+](C)C ZINC000935115260 654876724 /nfs/dbraw/zinc/87/67/24/654876724.db2.gz XMNDMIBOFWYLFT-UONOGXRCSA-N 1 0 397.342 2.453 20 0 GEADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000915703292 654876964 /nfs/dbraw/zinc/87/69/64/654876964.db2.gz DLAMPGQLHCATEH-CQSZACIVSA-N 1 0 389.949 2.296 20 0 GEADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000915881333 654881815 /nfs/dbraw/zinc/88/18/15/654881815.db2.gz SQWWBTSMCDCDQB-ORAPSHDFSA-N 1 0 399.460 2.303 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccc(C)nc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000916041448 654885701 /nfs/dbraw/zinc/88/57/01/654885701.db2.gz MBWDKZJFCDCGPS-AWEZNQCLSA-N 1 0 387.933 2.015 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000916054558 654886282 /nfs/dbraw/zinc/88/62/82/654886282.db2.gz TUWPADUZEHFNCE-ZDUSSCGKSA-N 1 0 392.301 2.492 20 0 GEADRO CCO[C@H](CNC(=O)NCc1ccc(OC)c(Br)c1)C[NH+](C)C ZINC000916085422 654887570 /nfs/dbraw/zinc/88/75/70/654887570.db2.gz MYOWBPOSPWEMFX-CYBMUJFWSA-N 1 0 388.306 2.224 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000935482626 654896172 /nfs/dbraw/zinc/89/61/72/654896172.db2.gz NFPOSUSOCIRJQR-IACUBPJLSA-N 1 0 380.286 2.474 20 0 GEADRO CN(C(=O)c1cc(S(N)(=O)=O)oc1Cl)C(C)(C)C[NH+]1CCCCCC1 ZINC000935487549 654896494 /nfs/dbraw/zinc/89/64/94/654896494.db2.gz CUFHOPPKMNTBNV-UHFFFAOYSA-N 1 0 391.921 2.307 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)n1 ZINC000935532675 654898680 /nfs/dbraw/zinc/89/86/80/654898680.db2.gz OIEZINCCLNVPDK-GFCCVEGCSA-N 1 0 399.333 2.280 20 0 GEADRO Cn1cc(Br)c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1=O ZINC000935573959 654901246 /nfs/dbraw/zinc/90/12/46/654901246.db2.gz ZIYJQTVBSVZGDR-UHFFFAOYSA-N 1 0 392.297 2.182 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1=O ZINC000935797094 654917443 /nfs/dbraw/zinc/91/74/43/654917443.db2.gz JLHVRESGWYVVGB-UHFFFAOYSA-N 1 0 382.302 2.096 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cn2ncnc12 ZINC000935939342 654928876 /nfs/dbraw/zinc/92/88/76/654928876.db2.gz MGNMEPFACMVAKE-AAEUAGOBSA-N 1 0 378.274 2.191 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccsc4Cl)[C@@H]3C2)CC[N@@H+]1C ZINC000972148625 654942002 /nfs/dbraw/zinc/94/20/02/654942002.db2.gz LIVQAOPMTILTFN-RGCMKSIDSA-N 1 0 381.929 2.415 20 0 GEADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3nc(Cl)cs3)[C@H]2C)CC[N@@H+]1C ZINC000989394080 654945134 /nfs/dbraw/zinc/94/51/34/654945134.db2.gz VYDHHWWGAOKPDP-MROQNXINSA-N 1 0 384.933 2.246 20 0 GEADRO Clc1nc2c(c(N3CC[C@H]4[NH2+]CCO[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164391897 718822312 /nfs/dbraw/zinc/82/23/12/718822312.db2.gz XSFPJEYSLMZMAW-AEFFLSMTSA-N 1 0 385.899 2.213 20 0 GEADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164401860 718851964 /nfs/dbraw/zinc/85/19/64/718851964.db2.gz DDZSPYNVILEIQN-MEBBXXQBSA-N 1 0 389.233 2.500 20 0 GEADRO O=C1NCCN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)C12C[NH2+]C2 ZINC001164412760 718878515 /nfs/dbraw/zinc/87/85/15/718878515.db2.gz YPPMWTMCLZHCIL-UHFFFAOYSA-N 1 0 387.217 2.365 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(SC)n1 ZINC001164619625 719012841 /nfs/dbraw/zinc/01/28/41/719012841.db2.gz WEYOXUYRPOXTHC-UTLUCORTSA-N 1 0 392.859 2.127 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(F)cc3C(=O)OC)CC2)CC1 ZINC001164614621 719022098 /nfs/dbraw/zinc/02/20/98/719022098.db2.gz VNUHBGOCSNDPSE-UHFFFAOYSA-N 1 0 393.459 2.251 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)nccc3C(N)=O)CC2)CC1 ZINC001164617201 719034703 /nfs/dbraw/zinc/03/47/03/719034703.db2.gz JVHSWKNDEGPKJD-UHFFFAOYSA-N 1 0 394.903 2.078 20 0 GEADRO CS(=O)(=O)c1cc(C(F)(F)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)cnc1Cl ZINC001164621215 719127461 /nfs/dbraw/zinc/12/74/61/719127461.db2.gz LXUVTGJKJLINQR-GXSJLCMTSA-N 1 0 397.850 2.197 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164630253 719137614 /nfs/dbraw/zinc/13/76/14/719137614.db2.gz IBCATQBFSMOIJZ-AWEZNQCLSA-N 1 0 382.798 2.293 20 0 GEADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC001164642626 719226717 /nfs/dbraw/zinc/22/67/17/719226717.db2.gz WWKQIHFGFUMBPQ-KBPBESRZSA-N 1 0 376.482 2.201 20 0 GEADRO COCCN1CCN(C)C2(CCN(c3[nH+]ccc4cc(OC)ccc43)CC2)C1=O ZINC001164634645 719271111 /nfs/dbraw/zinc/27/11/11/719271111.db2.gz KVCLKFOUSOEQMZ-UHFFFAOYSA-N 1 0 398.507 2.003 20 0 GEADRO O=C1CCCN1[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@@H]21 ZINC001164648733 719305813 /nfs/dbraw/zinc/30/58/13/719305813.db2.gz QYDBEMKCTNMJSC-QFUCXCTJSA-N 1 0 384.524 2.284 20 0 GEADRO COc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC001164669052 719482736 /nfs/dbraw/zinc/48/27/36/719482736.db2.gz SKBMOAIFSCBAOH-HOTGVXAUSA-N 1 0 376.844 2.450 20 0 GEADRO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001164668085 719483753 /nfs/dbraw/zinc/48/37/53/719483753.db2.gz NWAOQKVLSUPQPP-CJNGLKHVSA-N 1 0 376.844 2.450 20 0 GEADRO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC001164668087 719484270 /nfs/dbraw/zinc/48/42/70/719484270.db2.gz NWAOQKVLSUPQPP-CZUORRHYSA-N 1 0 376.844 2.450 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164689643 719746975 /nfs/dbraw/zinc/74/69/75/719746975.db2.gz JTGUVMGOTILSEV-UHFFFAOYSA-N 1 0 383.471 2.464 20 0 GEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164689540 719754713 /nfs/dbraw/zinc/75/47/13/719754713.db2.gz HAYYCNVRRUZURP-UHFFFAOYSA-N 1 0 377.920 2.190 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1COC3)C2 ZINC001164811822 720093530 /nfs/dbraw/zinc/09/35/30/720093530.db2.gz PSGAUJONMPLLPU-AUUYWEPGSA-N 1 0 378.904 2.345 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(Cl)nc1C(=O)OC)C2 ZINC001164814327 720120754 /nfs/dbraw/zinc/12/07/54/720120754.db2.gz RSWPJPIQICPNIJ-LIRRHRJNSA-N 1 0 394.903 2.101 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)NC3CC3)cn1)C2 ZINC001164816234 720124993 /nfs/dbraw/zinc/12/49/93/720124993.db2.gz YOWLSVXEDNRLSN-GCJKJVERSA-N 1 0 384.524 2.159 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3c1CNC3=O)C2 ZINC001164808762 720134970 /nfs/dbraw/zinc/13/49/70/720134970.db2.gz GGGOQDVKCQJZQX-XOBRGWDASA-N 1 0 390.915 2.163 20 0 GEADRO Cn1nnc2c1CCN(c1nccc3occc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715289 720164714 /nfs/dbraw/zinc/16/47/14/720164714.db2.gz ULTXCRFYDSLVJY-KRWDZBQOSA-N 1 0 382.468 2.173 20 0 GEADRO Cn1nnc2c1CCN(c1ccc(Cl)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164711416 720169058 /nfs/dbraw/zinc/16/90/58/720169058.db2.gz BNONRDDTUMEBIL-INIZCTEOSA-N 1 0 376.892 2.080 20 0 GEADRO Cc1ccc(Cl)c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164711817 720172905 /nfs/dbraw/zinc/17/29/05/720172905.db2.gz CHBUGBHAHLTSCL-KRWDZBQOSA-N 1 0 390.919 2.388 20 0 GEADRO Cn1nnc2c1CCN(c1nc(Cl)ccc1F)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716210 720172973 /nfs/dbraw/zinc/17/29/73/720172973.db2.gz YXCQHOSRNWPKBD-OAHLLOKOSA-N 1 0 394.882 2.219 20 0 GEADRO Cn1nnc2c1CCN(c1nccc(C(C)(C)C)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719195 720177074 /nfs/dbraw/zinc/17/70/74/720177074.db2.gz UFAXREZAHHFGGS-QGZVFWFLSA-N 1 0 399.543 2.119 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nccc1C(N)=O)C2 ZINC001164815563 720193719 /nfs/dbraw/zinc/19/37/19/720193719.db2.gz IGIAGNGDGPMBML-KUHUBIRLSA-N 1 0 378.904 2.019 20 0 GEADRO CCN(C)c1cc(C)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164811318 720207616 /nfs/dbraw/zinc/20/76/16/720207616.db2.gz GDNKMDXPERHHCC-UHFFFAOYSA-N 1 0 399.543 2.048 20 0 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399.564 2.485 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc5c(n4)CCCC5)C3)O2)CC1 ZINC001164891500 721444281 /nfs/dbraw/zinc/44/42/81/721444281.db2.gz GRTIFUMWFALIFD-SIKLNZKXSA-N 1 0 385.556 2.121 20 0 GEADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncncc1OC)CC2 ZINC001164784490 721455136 /nfs/dbraw/zinc/45/51/36/721455136.db2.gz FSKGZIDWDDFQRX-SFHVURJKSA-N 1 0 390.528 2.219 20 0 GEADRO c1cnn(C[C@H]2Cn3ccnc3CN(c3ccc(C[NH+]4CCCC4)cn3)C2)c1 ZINC001164897746 721487020 /nfs/dbraw/zinc/48/70/20/721487020.db2.gz UFGXXXOWJBNYJW-IBGZPJMESA-N 1 0 377.496 2.407 20 0 GEADRO C[NH+]1CCN(c2ccc(N3C[C@H]4CCC[C@@]4(COc4ccccn4)C3)nn2)CC1 ZINC001164794983 721505104 /nfs/dbraw/zinc/50/51/04/721505104.db2.gz GTDGYFGGPLZNKY-GCJKJVERSA-N 1 0 394.523 2.309 20 0 GEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cccc(Cl)n2)CC3)CC1 ZINC001164795537 721508728 /nfs/dbraw/zinc/50/87/28/721508728.db2.gz KZXSUQRSIRCMBD-UHFFFAOYSA-N 1 0 396.873 2.244 20 0 GEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccnc(-c4ccccc4)n2)CC3)CC1 ZINC001164794300 721510059 /nfs/dbraw/zinc/51/00/59/721510059.db2.gz NBWHYCQPGXDLIP-UHFFFAOYSA-N 1 0 389.507 2.108 20 0 GEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4cc(Cl)cnc4n2)CC3)CC1 ZINC001164794562 721512549 /nfs/dbraw/zinc/51/25/49/721512549.db2.gz SAAJYQSZCZFRJF-UHFFFAOYSA-N 1 0 397.914 2.247 20 0 GEADRO CCNC(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905215 721542984 /nfs/dbraw/zinc/54/29/84/721542984.db2.gz GRMAPPCLCVJSJY-WMZOPIPTSA-N 1 0 384.455 2.312 20 0 GEADRO NC(=S)Nc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164905305 721561742 /nfs/dbraw/zinc/56/17/42/721561742.db2.gz GPCZNJXYWZBIKH-WBVHZDCISA-N 1 0 387.484 2.218 20 0 GEADRO COCc1nc(OC)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907223 721565563 /nfs/dbraw/zinc/56/55/63/721565563.db2.gz MUBJNMUQFZZUII-RDJZCZTQSA-N 1 0 388.443 2.113 20 0 GEADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(N)=S)cn2)[C@H]2CCCO[C@@H]12 ZINC001164801706 721586496 /nfs/dbraw/zinc/58/64/96/721586496.db2.gz 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COC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025019 721805818 /nfs/dbraw/zinc/80/58/18/721805818.db2.gz NCNFMYCNIMZPSA-WDYCEAGBSA-N 1 0 381.480 2.395 20 0 GEADRO C[NH+]1CCN(c2cccc(N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)n2)CC1 ZINC001164916933 721806712 /nfs/dbraw/zinc/80/67/12/721806712.db2.gz SLKWRKRAPCUOEM-UGKGYDQZSA-N 1 0 395.507 2.045 20 0 GEADRO Cn1cnc2cnc(N3C[C@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc21 ZINC001165028264 721809961 /nfs/dbraw/zinc/80/99/61/721809961.db2.gz WTYUJZMMBVCWPB-SZVBFZGTSA-N 1 0 377.496 2.495 20 0 GEADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCNC(=O)[C@H]2CC(=O)OCC)nc1 ZINC001165035800 721876211 /nfs/dbraw/zinc/87/62/11/721876211.db2.gz XBSHSZSMYOSCHU-QZTJIDSGSA-N 1 0 388.512 2.277 20 0 GEADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1nc2ccc(Cl)nc2[nH]1 ZINC001164935544 721882144 /nfs/dbraw/zinc/88/21/44/721882144.db2.gz XPLMNAFJULCVPN-STQMWFEESA-N 1 0 384.862 2.371 20 0 GEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc2ccc(Cl)nc2[nH]1 ZINC001164935542 721882396 /nfs/dbraw/zinc/88/23/96/721882396.db2.gz XPLMNAFJULCVPN-QWHCGFSZSA-N 1 0 384.862 2.371 20 0 GEADRO COc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)c(OC)c1 ZINC001164932250 721883985 /nfs/dbraw/zinc/88/39/85/721883985.db2.gz HLYHUEUKXQKLHY-PMACEKPBSA-N 1 0 397.523 2.375 20 0 GEADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1ncn2-c1ccccc1 ZINC001164936343 721886233 /nfs/dbraw/zinc/88/62/33/721886233.db2.gz ZPKRBCYZTNPHGT-MSOLQXFVSA-N 1 0 377.496 2.030 20 0 GEADRO COC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)cn1 ZINC001164938428 721920199 /nfs/dbraw/zinc/92/01/99/721920199.db2.gz ODLNRAHOJKSKIW-UHFFFAOYSA-N 1 0 396.491 2.443 20 0 GEADRO C(C[NH+]1CCCC1)[C@@H]1CCCCN1c1nc(N2CCOCC2)nc2c1CCN2 ZINC001165046921 721968123 /nfs/dbraw/zinc/96/81/23/721968123.db2.gz HQOILTJUJVFOBK-KRWDZBQOSA-N 1 0 386.544 2.126 20 0 GEADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049795 721975041 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20 0 GEADRO Cn1ccc2c1ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981450 722104945 /nfs/dbraw/zinc/10/49/45/722104945.db2.gz LNFHJJOMHBETSP-PKOBYXMFSA-N 1 0 378.480 2.091 20 0 GEADRO Clc1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979932 722108466 /nfs/dbraw/zinc/10/84/66/722108466.db2.gz IJLOBLPCSVIUNN-ZIAGYGMSSA-N 1 0 395.294 2.301 20 0 GEADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cnc5cccnc5n4)CC[C@@H]3C2)c1 ZINC001164971446 722111522 /nfs/dbraw/zinc/11/15/22/722111522.db2.gz CLHNYUJBUKZWKM-MJGOQNOKSA-N 1 0 376.464 2.147 20 0 GEADRO COc1cc(OC)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971402 722117398 /nfs/dbraw/zinc/11/73/98/722117398.db2.gz CEJQUYPTFJOBAF-HKUYNNGSSA-N 1 0 384.480 2.221 20 0 GEADRO CCN(CC)c1cncc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974361 722131422 /nfs/dbraw/zinc/13/14/22/722131422.db2.gz DJJLQSHNLDKTFM-UXHICEINSA-N 1 0 396.539 2.445 20 0 GEADRO c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nnc2c1 ZINC001164981739 722145947 /nfs/dbraw/zinc/14/59/47/722145947.db2.gz QFUINWWGXRGPEH-PXNSSMCTSA-N 1 0 376.464 2.147 20 0 GEADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(C)cc4C[NH3+])CC[C@@H]32)cs1 ZINC001164992801 722184410 /nfs/dbraw/zinc/18/44/10/722184410.db2.gz UJQQWXIRBZOGLX-RBUKOAKNSA-N 1 0 387.553 2.483 20 0 GEADRO COCCO[C@@H]1CCN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@@H]1Cc1cnn(C)c1 ZINC001164999684 722224974 /nfs/dbraw/zinc/22/49/74/722224974.db2.gz OAFGXCWHRLVJRS-NHCUHLMSSA-N 1 0 399.539 2.262 20 0 GEADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccnc(N3CCCCC3)n1)CCC2 ZINC001165004115 722255925 /nfs/dbraw/zinc/25/59/25/722255925.db2.gz NDQMNMYIYRXSBA-UHFFFAOYSA-N 1 0 399.543 2.152 20 0 GEADRO CCSc1cncc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003836 722257162 /nfs/dbraw/zinc/25/71/62/722257162.db2.gz IWPYYNSXLABCBK-UHFFFAOYSA-N 1 0 376.530 2.274 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1nnc(CC(F)(F)F)s1 ZINC000483970668 531414800 /nfs/dbraw/zinc/41/48/00/531414800.db2.gz DPVGMPSJGQPQPS-JTQLQIEISA-N 1 0 381.424 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CC(C)[C@H](Oc1ccccc1Br)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153442010 531599946 /nfs/dbraw/zinc/59/99/46/531599946.db2.gz GOUPISXMHYUUJI-RDJZCZTQSA-N 1 0 387.318 2.281 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cncc(Br)c1)c1ccccc1 ZINC000153527997 531602068 /nfs/dbraw/zinc/60/20/68/531602068.db2.gz RQIGWBNUNLXDGF-HNNXBMFYSA-N 1 0 391.269 2.202 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000153727878 531608306 /nfs/dbraw/zinc/60/83/06/531608306.db2.gz LBMAMNGMFUVQQY-LBPRGKRZSA-N 1 0 398.301 2.244 20 0 GEADRO O=C(Cn1cc(Br)ccc1=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153925002 531612294 /nfs/dbraw/zinc/61/22/94/531612294.db2.gz NCCQYDMRHQYVNE-CZUORRHYSA-N 1 0 394.313 2.086 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000153803354 531609531 /nfs/dbraw/zinc/60/95/31/531609531.db2.gz LLEZOOKQUAKVDL-GFCCVEGCSA-N 1 0 398.301 2.163 20 0 GEADRO CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000025331458 531612718 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C[N@H+](CCCO)C1CCN(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000154814325 531636340 /nfs/dbraw/zinc/63/63/40/531636340.db2.gz XNDAUCHBMVKMKR-UHFFFAOYSA-N 1 0 384.318 2.437 20 0 GEADRO CN(Cc1cc(Br)cn1C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000154852858 531637142 /nfs/dbraw/zinc/63/71/42/531637142.db2.gz KSFGQVPMDCYGQA-UHFFFAOYSA-N 1 0 383.294 2.210 20 0 GEADRO O=S(=O)(c1ccccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000030496683 531637187 /nfs/dbraw/zinc/63/71/87/531637187.db2.gz MMXCTAKRIWJTOD-UHFFFAOYSA-N 1 0 382.283 2.355 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000041640430 531668194 /nfs/dbraw/zinc/66/81/94/531668194.db2.gz YHDNKTJMTIRSNP-LBPRGKRZSA-N 1 0 387.311 2.074 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2cccc(Br)c2)C1 ZINC000032267693 531649638 /nfs/dbraw/zinc/64/96/38/531649638.db2.gz UZEZHZMIJFKRRK-INIZCTEOSA-N 1 0 385.302 2.301 20 0 GEADRO CCNC(=O)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000036325107 531659495 /nfs/dbraw/zinc/65/94/95/531659495.db2.gz RFINPUGDIUCNTI-UHFFFAOYSA-N 1 0 380.080 2.446 20 0 GEADRO COc1cc(I)c(Cl)cc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000155137673 531659406 /nfs/dbraw/zinc/65/94/06/531659406.db2.gz HJCYBROGMJNMFY-MRVPVSSYSA-N 1 0 394.640 2.387 20 0 GEADRO O=C(C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1)NC1CC1 ZINC000155163524 531662039 /nfs/dbraw/zinc/66/20/39/531662039.db2.gz ZNTXVPWISKTRPY-UHFFFAOYSA-N 1 0 380.286 2.378 20 0 GEADRO C[C@]12CCC(=O)N1[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)CS2 ZINC000043004391 531675772 /nfs/dbraw/zinc/67/57/72/531675772.db2.gz BYPWOBAWEIOELC-IYOUNJFTSA-N 1 0 379.551 2.455 20 0 GEADRO COc1ccc(CCC(=O)NCCCN2CC[NH+](C)CC2)cc1Br ZINC000044605654 531682693 /nfs/dbraw/zinc/68/26/93/531682693.db2.gz OSTFEQOBILBNKX-UHFFFAOYSA-N 1 0 398.345 2.144 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(I)cc1 ZINC000044571674 531683298 /nfs/dbraw/zinc/68/32/98/531683298.db2.gz GPXADNSCCKMFFC-CYBMUJFWSA-N 1 0 388.249 2.271 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000047148127 531711479 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CC[NH+](CC)CCCCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000156246825 531724384 /nfs/dbraw/zinc/72/43/84/531724384.db2.gz RSFYXUPJSTZVNU-UHFFFAOYSA-N 1 0 387.571 2.384 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000156294811 531727129 /nfs/dbraw/zinc/72/71/29/531727129.db2.gz YVDFGHVLENRGGU-VHSXEESVSA-N 1 0 398.248 2.367 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000048285312 531727420 /nfs/dbraw/zinc/72/74/20/531727420.db2.gz VWEPGMGCOAFPLD-AWEZNQCLSA-N 1 0 385.302 2.445 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Cn1cc(Br)ccc1=O)c1cccc(F)c1 ZINC000047526479 531715131 /nfs/dbraw/zinc/71/51/31/531715131.db2.gz WSWQVXBFZUXJGP-OAHLLOKOSA-N 1 0 396.260 2.169 20 0 GEADRO Cn1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(Br)c1=O ZINC000156134786 531717052 /nfs/dbraw/zinc/71/70/52/531717052.db2.gz CHWROLYZRJOXGB-VGPLMAKISA-N 1 0 383.290 2.285 20 0 GEADRO CS(=O)(=O)NCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000051188408 531740352 /nfs/dbraw/zinc/74/03/52/531740352.db2.gz RBVXUGWELZFRFY-UHFFFAOYSA-N 1 0 381.885 2.231 20 0 GEADRO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)N1CCCC1 ZINC000157730497 531753651 /nfs/dbraw/zinc/75/36/51/531753651.db2.gz LUSWPQZAWZZUTJ-CYBMUJFWSA-N 1 0 395.301 2.117 20 0 GEADRO CC1CC[NH+](CCNC(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000157952870 531760064 /nfs/dbraw/zinc/76/00/64/531760064.db2.gz WDHBPRYQUQDDDY-UHFFFAOYSA-N 1 0 396.289 2.144 20 0 GEADRO O=C(c1cc(F)ccc1Br)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052921601 531751929 /nfs/dbraw/zinc/75/19/29/531751929.db2.gz VHUMVHPYEFPEEY-UHFFFAOYSA-N 1 0 384.293 2.442 20 0 GEADRO O=C([C@@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)C1)N1CCOCC1 ZINC000054994045 531781715 /nfs/dbraw/zinc/78/17/15/531781715.db2.gz IGLWPMWSXNHWEN-OAHLLOKOSA-N 1 0 397.313 2.399 20 0 GEADRO COc1ccc(C(=O)NCC(C)(C)[NH+](C)C)c(I)c1 ZINC000158158138 531769036 /nfs/dbraw/zinc/76/90/36/531769036.db2.gz OFQUEQKGPGLEFN-UHFFFAOYSA-N 1 0 376.238 2.370 20 0 GEADRO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)COC1CCOCC1 ZINC000158185999 531769154 /nfs/dbraw/zinc/76/91/54/531769154.db2.gz GPXPOYZVNLGQFY-AWEZNQCLSA-N 1 0 378.296 2.344 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000158217380 531771920 /nfs/dbraw/zinc/77/19/20/531771920.db2.gz UPRUYLQOSHVKNE-INIZCTEOSA-N 1 0 388.281 2.198 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cnc3c(C)cccn23)c(C)s1 ZINC000158379524 531777982 /nfs/dbraw/zinc/77/79/82/531777982.db2.gz QERFELDIGRSXPM-UHFFFAOYSA-N 1 0 378.523 2.389 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000054506412 531779354 /nfs/dbraw/zinc/77/93/54/531779354.db2.gz VYUIJFJPGLZDJI-UHFFFAOYSA-N 1 0 387.933 2.286 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC1 ZINC000055255679 531785525 /nfs/dbraw/zinc/78/55/25/531785525.db2.gz NNTBEPQTCYYIFX-UHFFFAOYSA-N 1 0 388.331 2.135 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000055370826 531789666 /nfs/dbraw/zinc/78/96/66/531789666.db2.gz GUMCIABWGDZEFE-UHFFFAOYSA-N 1 0 395.301 2.006 20 0 GEADRO CC(C)[NH+](CCNC(=O)CCNS(=O)(=O)c1ccccc1Cl)C(C)C ZINC000057675855 531822219 /nfs/dbraw/zinc/82/22/19/531822219.db2.gz CTQDKKPQNDPBLX-UHFFFAOYSA-N 1 0 389.949 2.243 20 0 GEADRO CC(C)OCC[NH+]1CCC(N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000162219247 531839534 /nfs/dbraw/zinc/83/95/34/531839534.db2.gz NGTOKNBLIZSICI-QGZVFWFLSA-N 1 0 398.345 2.455 20 0 GEADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccccc1Br ZINC000162351888 531842379 /nfs/dbraw/zinc/84/23/79/531842379.db2.gz CYFPFBXLKZUPNP-LLVKDONJSA-N 1 0 388.287 2.207 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCc1sccc1Br ZINC000060592033 531844401 /nfs/dbraw/zinc/84/44/01/531844401.db2.gz SZPJQCYNPCWZSA-UHFFFAOYSA-N 1 0 376.320 2.422 20 0 GEADRO Cc1c(Cl)cc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)cc1Cl ZINC000162661800 531845226 /nfs/dbraw/zinc/84/52/26/531845226.db2.gz JDEMNZAVMMMKQL-UHFFFAOYSA-N 1 0 381.325 2.379 20 0 GEADRO CC(C)(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1c(Cl)cccc1Cl ZINC000163310101 531856610 /nfs/dbraw/zinc/85/66/10/531856610.db2.gz DFXQMHKSXOLPGD-GFCCVEGCSA-N 1 0 381.325 2.149 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000064142350 531862561 /nfs/dbraw/zinc/86/25/61/531862561.db2.gz BTCMNLNHQWRVTO-ZDUSSCGKSA-N 1 0 378.274 2.391 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)CCO1 ZINC000165587640 531873632 /nfs/dbraw/zinc/87/36/32/531873632.db2.gz CCUNENOEBZCUPB-VIFPVBQESA-N 1 0 378.064 2.011 20 0 GEADRO C[C@@H](CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[S@](C)=O ZINC000165841439 531874423 /nfs/dbraw/zinc/87/44/23/531874423.db2.gz VWBQZQRNGNBFKJ-IZHWHUGBSA-N 1 0 375.604 2.194 20 0 GEADRO O=C([C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1)N1CCSCC1 ZINC000067118162 531876859 /nfs/dbraw/zinc/87/68/59/531876859.db2.gz GHVZLLJORICEPQ-NVXWUHKLSA-N 1 0 384.929 2.120 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc2c(c1)OCO2 ZINC000168102293 531881753 /nfs/dbraw/zinc/88/17/53/531881753.db2.gz XIVFIVVWZYPZII-SNVBAGLBSA-N 1 0 380.388 2.380 20 0 GEADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ccc(Br)cn2)cc1 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CC(C)(C[NH2+]CC1=Cc2cc(Br)ccc2OC1)NS(C)(=O)=O ZINC000068990334 531908849 /nfs/dbraw/zinc/90/88/49/531908849.db2.gz CCTWETPJARDSSN-UHFFFAOYSA-N 1 0 389.315 2.142 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000171658894 531909728 /nfs/dbraw/zinc/90/97/28/531909728.db2.gz KXPVETNIIADNPF-UHFFFAOYSA-N 1 0 386.309 2.478 20 0 GEADRO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000171657202 531910976 /nfs/dbraw/zinc/91/09/76/531910976.db2.gz HGABVYLNXTXOPZ-UHFFFAOYSA-N 1 0 386.309 2.478 20 0 GEADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000072775415 531918117 /nfs/dbraw/zinc/91/81/17/531918117.db2.gz YYHPJZWOCKBHCO-IRXDYDNUSA-N 1 0 375.579 2.063 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000078512079 531919938 /nfs/dbraw/zinc/91/99/38/531919938.db2.gz JFZRGVLBQXEMJV-UHFFFAOYSA-N 1 0 389.290 2.117 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000171771374 531916674 /nfs/dbraw/zinc/91/66/74/531916674.db2.gz 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CCCN(C(=O)c1cccs1)C1CC[NH+](CCCS(=O)(=O)NC)CC1 ZINC000132064765 532208610 /nfs/dbraw/zinc/20/86/10/532208610.db2.gz NHFHDJXBWPMGLU-UHFFFAOYSA-N 1 0 387.571 2.004 20 0 GEADRO NC(=O)N1CCC([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000178711888 532210390 /nfs/dbraw/zinc/21/03/90/532210390.db2.gz OJDWQTPNENZGIG-ZDUSSCGKSA-N 1 0 381.318 2.408 20 0 GEADRO [NH3+][C@@H]1CCN(C(=O)c2ccc(Br)cc2I)C1 ZINC000132307170 532212547 /nfs/dbraw/zinc/21/25/47/532212547.db2.gz GDFNJGCMGXCYHG-MRVPVSSYSA-N 1 0 395.038 2.227 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC000178787835 532212596 /nfs/dbraw/zinc/21/25/96/532212596.db2.gz MEQRMTJTSQPUOA-CYBMUJFWSA-N 1 0 386.901 2.376 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000178820888 532213661 /nfs/dbraw/zinc/21/36/61/532213661.db2.gz XFCLAVXPCWNANZ-LLVKDONJSA-N 1 0 379.917 2.473 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000178858435 532214461 /nfs/dbraw/zinc/21/44/61/532214461.db2.gz NIGQXNFKMOELSS-ZJUUUORDSA-N 1 0 388.331 2.215 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000178840888 532214715 /nfs/dbraw/zinc/21/47/15/532214715.db2.gz MUFIRWSQEASSDI-JTQLQIEISA-N 1 0 388.693 2.451 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178858405 532214840 /nfs/dbraw/zinc/21/48/40/532214840.db2.gz NIGQXNFKMOELSS-VHSXEESVSA-N 1 0 388.331 2.215 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000178858181 532215145 /nfs/dbraw/zinc/21/51/45/532215145.db2.gz OKNFERKQLZHHCL-JSGCOSHPSA-N 1 0 394.313 2.388 20 0 GEADRO [NH3+][C@H]1CCN(C(=O)c2cccn2-c2ccc(I)cc2)C1 ZINC000132452955 532215368 /nfs/dbraw/zinc/21/53/68/532215368.db2.gz FZLAJXDLWAJJTR-LBPRGKRZSA-N 1 0 381.217 2.255 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000178925353 532217580 /nfs/dbraw/zinc/21/75/80/532217580.db2.gz VCBHQCUBBVCUDZ-SNVBAGLBSA-N 1 0 377.304 2.206 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000132633126 532219202 /nfs/dbraw/zinc/21/92/02/532219202.db2.gz HNAKOMRJESKIJK-UKRRQHHQSA-N 1 0 394.313 2.169 20 0 GEADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cccc(I)c2)CC1 ZINC000178927980 532217774 /nfs/dbraw/zinc/21/77/74/532217774.db2.gz DBXXIVNCYVOZCA-JTQLQIEISA-N 1 0 394.278 2.039 20 0 GEADRO CCCN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CC[NH2+]C1 ZINC000178925092 532217799 /nfs/dbraw/zinc/21/77/99/532217799.db2.gz CFLFHNOJFXHTFF-KBPBESRZSA-N 1 0 394.313 2.403 20 0 GEADRO COc1cc(CNC(=O)c2csc(CN)n2)cc(Br)c1OC ZINC000178488978 532203308 /nfs/dbraw/zinc/20/33/08/532203308.db2.gz BAIOKWXCVPWENU-UHFFFAOYSA-N 1 0 386.271 2.312 20 0 GEADRO O=C(Nc1cccnc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178513276 532204140 /nfs/dbraw/zinc/20/41/40/532204140.db2.gz ISCNOYFAZQKNTI-UHFFFAOYSA-N 1 0 383.290 2.420 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000179315911 532228247 /nfs/dbraw/zinc/22/82/47/532228247.db2.gz DRFRRNDXOLCOGQ-HNNXBMFYSA-N 1 0 384.293 2.329 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000133284481 532230419 /nfs/dbraw/zinc/23/04/19/532230419.db2.gz ZGDITHRZWLPUGA-HIFRSBDPSA-N 1 0 380.286 2.012 20 0 GEADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179521303 532233842 /nfs/dbraw/zinc/23/38/42/532233842.db2.gz GEKDROPAYRNXLR-NSHDSACASA-N 1 0 391.331 2.313 20 0 GEADRO Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1Br ZINC000133407540 532234713 /nfs/dbraw/zinc/23/47/13/532234713.db2.gz ZXUAINIBFZSTLU-MRXNPFEDSA-N 1 0 394.313 2.136 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000132697245 532220178 /nfs/dbraw/zinc/22/01/78/532220178.db2.gz CMDPVDRJMMXIKS-GJZGRUSLSA-N 1 0 385.327 2.444 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N(C)[C@H]3CC[NH2+]C3)[nH]c(=O)c2c1C ZINC000179081029 532221663 /nfs/dbraw/zinc/22/16/63/532221663.db2.gz ZPBGFVYPBANISI-RYUDHWBXSA-N 1 0 380.539 2.043 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)c1c(F)cccc1Cl)N1CC[NH+](C)CC1 ZINC000132874960 532222601 /nfs/dbraw/zinc/22/26/01/532222601.db2.gz QJQCAYFMCGBHFU-HNNXBMFYSA-N 1 0 377.913 2.029 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000179192838 532224632 /nfs/dbraw/zinc/22/46/32/532224632.db2.gz TXIMGBUKCYRSNG-LBPRGKRZSA-N 1 0 382.302 2.107 20 0 GEADRO COc1nc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ncc1Br ZINC000179261491 532226738 /nfs/dbraw/zinc/22/67/38/532226738.db2.gz IBMRICOQJDCJRU-UONOGXRCSA-N 1 0 393.285 2.295 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000179657613 532239837 /nfs/dbraw/zinc/23/98/37/532239837.db2.gz YJCUKETUDRSJGO-UHFFFAOYSA-N 1 0 379.302 2.250 20 0 GEADRO NS(=O)(=O)c1cccc(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC000179674123 532241213 /nfs/dbraw/zinc/24/12/13/532241213.db2.gz KEFJHEQBVNEWSE-UHFFFAOYSA-N 1 0 379.869 2.205 20 0 GEADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCCC[NH+]1CCC(O)CC1 ZINC000180017712 532253921 /nfs/dbraw/zinc/25/39/21/532253921.db2.gz MCZAJPPHQFDNEW-MRXNPFEDSA-N 1 0 375.296 2.380 20 0 GEADRO C[C@@H](NC(=O)NCC[NH+](C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000133887628 532244610 /nfs/dbraw/zinc/24/46/10/532244610.db2.gz SPXUHIWOXUSFHI-SNVBAGLBSA-N 1 0 382.262 2.421 20 0 GEADRO C[NH+](C)CCNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000133870283 532244683 /nfs/dbraw/zinc/24/46/83/532244683.db2.gz AAHBOTQGFJOPHD-NSHDSACASA-N 1 0 379.814 2.193 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2C)C1 ZINC000179809525 532245348 /nfs/dbraw/zinc/24/53/48/532245348.db2.gz LNTJKDATXLSJCX-GFCCVEGCSA-N 1 0 383.290 2.034 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000133908314 532245731 /nfs/dbraw/zinc/24/57/31/532245731.db2.gz YYBLAQOYWXLKPS-LLVKDONJSA-N 1 0 386.265 2.327 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000133963834 532247167 /nfs/dbraw/zinc/24/71/67/532247167.db2.gz NTWKLLDDXAMCSD-CYBMUJFWSA-N 1 0 382.302 2.496 20 0 GEADRO C[C@@H](CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000179892430 532248797 /nfs/dbraw/zinc/24/87/97/532248797.db2.gz SSNOCZYOZHNJSW-GUYCJALGSA-N 1 0 388.339 2.417 20 0 GEADRO O=C([C@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)C1)N1CCOCC1 ZINC000179893861 532248947 /nfs/dbraw/zinc/24/89/47/532248947.db2.gz YGNNBRLHMHWDKS-ZDUSSCGKSA-N 1 0 383.286 2.226 20 0 GEADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000134251684 532253028 /nfs/dbraw/zinc/25/30/28/532253028.db2.gz GOGSVXNBDXBPSC-UHFFFAOYSA-N 1 0 381.523 2.235 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000179996699 532253083 /nfs/dbraw/zinc/25/30/83/532253083.db2.gz CPMYOTLZBVIVPF-CQSZACIVSA-N 1 0 385.302 2.109 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)c(Br)n1 ZINC000179556031 532236271 /nfs/dbraw/zinc/23/62/71/532236271.db2.gz LXHJDQBMYMNOJY-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cnn2cc(Br)cnc12 ZINC000179623149 532239371 /nfs/dbraw/zinc/23/93/71/532239371.db2.gz SFGQCOJAUSMOGL-CYBMUJFWSA-N 1 0 380.290 2.438 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(Cc2ncc(Br)cc2Br)CCO1 ZINC000135331152 532270950 /nfs/dbraw/zinc/27/09/50/532270950.db2.gz GOCXDGQLXNCBPY-QPUJVOFHSA-N 1 0 379.096 2.155 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)cc1Br ZINC000180465946 532272005 /nfs/dbraw/zinc/27/20/05/532272005.db2.gz FRYNUBVQMQCDHR-NSHDSACASA-N 1 0 379.320 2.436 20 0 GEADRO Cn1cc(C[N@H+](Cc2cccc(Br)c2)C2CC2)c(=O)n(C)c1=O ZINC000180032174 532255165 /nfs/dbraw/zinc/25/51/65/532255165.db2.gz UNGSIQWQQWTTOG-UHFFFAOYSA-N 1 0 378.270 2.011 20 0 GEADRO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134447974 532256598 /nfs/dbraw/zinc/25/65/98/532256598.db2.gz KMGNMHWNXAFSPA-NEPJUHHUSA-N 1 0 377.432 2.325 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000134596727 532258174 /nfs/dbraw/zinc/25/81/74/532258174.db2.gz HWSXZLVHBFAXEG-CJNGLKHVSA-N 1 0 396.329 2.067 20 0 GEADRO C[N@@H+](Cc1ccc(Br)c2cccnc12)C[C@@H](O)CN1CCOCC1 ZINC000180184682 532261109 /nfs/dbraw/zinc/26/11/09/532261109.db2.gz YSTWMEIDXGZPOM-OAHLLOKOSA-N 1 0 394.313 2.122 20 0 GEADRO CN1CCO[C@H]([C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2ccc(Cl)cc2)C1 ZINC000134773343 532262913 /nfs/dbraw/zinc/26/29/13/532262913.db2.gz UIBBRIGFYJOEKJ-DLBZAZTESA-N 1 0 386.945 2.126 20 0 GEADRO CN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)C1CC[NH+](C)CC1 ZINC000180299063 532265963 /nfs/dbraw/zinc/26/59/63/532265963.db2.gz PWVWSDKYTIUSSO-UHFFFAOYSA-N 1 0 389.315 2.019 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)Cc2ccccc2Cl)ccn1 ZINC000135084897 532266708 /nfs/dbraw/zinc/26/67/08/532266708.db2.gz AZWKSIMYZOBVIP-UHFFFAOYSA-N 1 0 383.901 2.295 20 0 GEADRO O=C(CCc1cc(Br)ccc1F)NCCC[NH+]1CCC(O)CC1 ZINC000135182905 532269121 /nfs/dbraw/zinc/26/91/21/532269121.db2.gz DFXIIUXKKUEEIQ-UHFFFAOYSA-N 1 0 387.293 2.484 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccncc2I)C1 ZINC000135552581 532276012 /nfs/dbraw/zinc/27/60/12/532276012.db2.gz QGVROFHYSGVKQS-RISCZKNCSA-N 1 0 385.249 2.243 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CSCCc2ccccc21)NC[C@@H]1CCCCO1 ZINC000180749328 532279812 /nfs/dbraw/zinc/27/98/12/532279812.db2.gz RZHIWZYVSSHCSF-WMZOPIPTSA-N 1 0 384.567 2.095 20 0 GEADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000180765623 532280368 /nfs/dbraw/zinc/28/03/68/532280368.db2.gz IXLVLUSSUXVINC-GXSJLCMTSA-N 1 0 378.782 2.205 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(Br)s2)C[C@H]1C ZINC000180757735 532280553 /nfs/dbraw/zinc/28/05/53/532280553.db2.gz STIILVFYELKOJX-VXGBXAGGSA-N 1 0 390.347 2.150 20 0 GEADRO COc1ccc(C[C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000180799668 532281400 /nfs/dbraw/zinc/28/14/00/532281400.db2.gz BCZLZSNZGUPUAA-ZDUSSCGKSA-N 1 0 376.469 2.480 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc([S@@](C)=O)cc1 ZINC000180800617 532281538 /nfs/dbraw/zinc/28/15/38/532281538.db2.gz JYPWVOAGCXMMKX-OIRASMEMSA-N 1 0 394.509 2.339 20 0 GEADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc([S@](C)=O)cc1 ZINC000180800574 532281730 /nfs/dbraw/zinc/28/17/30/532281730.db2.gz JYPWVOAGCXMMKX-YYUOZPCZSA-N 1 0 394.509 2.339 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cnc(C2CCCC2)s1)NC[C@@H]1CCCCO1 ZINC000136111312 532281916 /nfs/dbraw/zinc/28/19/16/532281916.db2.gz VKZCVYVPCXOEOO-HNNXBMFYSA-N 1 0 387.571 2.379 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000180925075 532285465 /nfs/dbraw/zinc/28/54/65/532285465.db2.gz GBJSBUBFJALMMO-INIZCTEOSA-N 1 0 385.961 2.439 20 0 GEADRO O=C(COc1cccc(Br)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136894992 532287491 /nfs/dbraw/zinc/28/74/91/532287491.db2.gz AAFDBDLNYWSQRK-AWEZNQCLSA-N 1 0 397.313 2.445 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1cc2c(cc1Br)OCCO2 ZINC000180480177 532272666 /nfs/dbraw/zinc/27/26/66/532272666.db2.gz LOADBXIIFANFBP-RYUDHWBXSA-N 1 0 382.258 2.129 20 0 GEADRO C[C@@H](CN1CCOCC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180490815 532272840 /nfs/dbraw/zinc/27/28/40/532272840.db2.gz MMLFICSLTSTHDG-AWEZNQCLSA-N 1 0 386.323 2.472 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)O1 ZINC000182042022 532308312 /nfs/dbraw/zinc/30/83/12/532308312.db2.gz DAUAGJNPZHIWMI-WBVHZDCISA-N 1 0 395.297 2.450 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000139146033 532292978 /nfs/dbraw/zinc/29/29/78/532292978.db2.gz CSGBLICLXHEIJB-CQSZACIVSA-N 1 0 383.290 2.171 20 0 GEADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)O1 ZINC000182042080 532308333 /nfs/dbraw/zinc/30/83/33/532308333.db2.gz DAUAGJNPZHIWMI-DOTOQJQBSA-N 1 0 395.297 2.450 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(Br)nc3C)C2)CC1 ZINC000181324613 532295888 /nfs/dbraw/zinc/29/58/88/532295888.db2.gz JQMVHQDGILIWEY-AWEZNQCLSA-N 1 0 396.333 2.396 20 0 GEADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000144282671 532297102 /nfs/dbraw/zinc/29/71/02/532297102.db2.gz DFJVIKNWAMZZIY-GFCCVEGCSA-N 1 0 398.276 2.061 20 0 GEADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000181378206 532297427 /nfs/dbraw/zinc/29/74/27/532297427.db2.gz ULOHTONLGJTDQE-FZMZJTMJSA-N 1 0 389.315 2.333 20 0 GEADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)s1 ZINC000181472959 532299554 /nfs/dbraw/zinc/29/95/54/532299554.db2.gz ZHFOAILPRUWGST-CQSZACIVSA-N 1 0 386.926 2.447 20 0 GEADRO NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000150721542 532301029 /nfs/dbraw/zinc/30/10/29/532301029.db2.gz AGNWOZVGEZZGEK-CQSZACIVSA-N 1 0 385.917 2.078 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000181526771 532301048 /nfs/dbraw/zinc/30/10/48/532301048.db2.gz HJRLIHXCZDZSLK-MWLCHTKSSA-N 1 0 383.212 2.177 20 0 GEADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cccc(C(F)(F)F)c1 ZINC000181606047 532302979 /nfs/dbraw/zinc/30/29/79/532302979.db2.gz BCAIKVVEVHJUMS-NSHDSACASA-N 1 0 376.404 2.068 20 0 GEADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cccc(Cl)c2Cl)cn1 ZINC000150893802 532303362 /nfs/dbraw/zinc/30/33/62/532303362.db2.gz YYGYRXIQCRZRHZ-UHFFFAOYSA-N 1 0 384.267 2.120 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(Br)c1 ZINC000150873923 532303499 /nfs/dbraw/zinc/30/34/99/532303499.db2.gz HOSQBWSTGKQJNV-ZDUSSCGKSA-N 1 0 379.320 2.084 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)ccc1OC(F)F ZINC000181692696 532304927 /nfs/dbraw/zinc/30/49/27/532304927.db2.gz QBONHABJJGTVIF-DGCLKSJQSA-N 1 0 378.441 2.371 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)C1 ZINC000150999279 532305660 /nfs/dbraw/zinc/30/56/60/532305660.db2.gz BMJJSPODCSYPBX-XJKSGUPXSA-N 1 0 383.945 2.402 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCN1CCOCC1 ZINC000151166706 532307641 /nfs/dbraw/zinc/30/76/41/532307641.db2.gz YMBQGZMNSVENPN-CQSZACIVSA-N 1 0 384.318 2.478 20 0 GEADRO O=C(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)NCC(F)(F)F ZINC000181942500 532307830 /nfs/dbraw/zinc/30/78/30/532307830.db2.gz IQFZFFZAPLBRLR-UHFFFAOYSA-N 1 0 375.416 2.243 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(Cl)c2I)C1 ZINC000137585072 532290253 /nfs/dbraw/zinc/29/02/53/532290253.db2.gz MPTYFFBIPMRNGK-VIFPVBQESA-N 1 0 393.656 2.411 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c(Br)n1 ZINC000183357910 532324271 /nfs/dbraw/zinc/32/42/71/532324271.db2.gz XTNKUYPRLCIEIT-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO O=C(CSCc1cscn1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183431145 532325080 /nfs/dbraw/zinc/32/50/80/532325080.db2.gz DECXPQORDVHZGE-KRWDZBQOSA-N 1 0 377.535 2.259 20 0 GEADRO C[N@H+](CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CCCC1 ZINC000183426687 532325181 /nfs/dbraw/zinc/32/51/81/532325181.db2.gz FHCTVZYNPQTODV-UHFFFAOYSA-N 1 0 396.285 2.384 20 0 GEADRO O=C(CSCc1cscn1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183431167 532325337 /nfs/dbraw/zinc/32/53/37/532325337.db2.gz DECXPQORDVHZGE-QGZVFWFLSA-N 1 0 377.535 2.259 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183522152 532325654 /nfs/dbraw/zinc/32/56/54/532325654.db2.gz PRYBEWNDXYZGJC-NSHDSACASA-N 1 0 375.803 2.480 20 0 GEADRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000182131530 532309463 /nfs/dbraw/zinc/30/94/63/532309463.db2.gz OEMCEKUTRXXYOU-GDBMZVCRSA-N 1 0 384.567 2.485 20 0 GEADRO COC(=O)Cn1cc(CC[NH2+][C@H](C)c2ccc(OC)c(Br)c2)nn1 ZINC000182113148 532309471 /nfs/dbraw/zinc/30/94/71/532309471.db2.gz JAWCFXBXWPFDOB-LLVKDONJSA-N 1 0 397.273 2.116 20 0 GEADRO CC(C)(O)C[NH+]1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000182214349 532310668 /nfs/dbraw/zinc/31/06/68/532310668.db2.gz OQZLTHZRDFJXCF-UHFFFAOYSA-N 1 0 399.329 2.499 20 0 GEADRO C[C@@H](CNC(=O)CCc1cc(F)ccc1Br)N1CC[NH+](C)CC1 ZINC000182321503 532311849 /nfs/dbraw/zinc/31/18/49/532311849.db2.gz QQZHFQNHONKSSO-ZDUSSCGKSA-N 1 0 386.309 2.273 20 0 GEADRO Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cnc1Br ZINC000182433662 532313203 /nfs/dbraw/zinc/31/32/03/532313203.db2.gz JERBPBJCIFYFHH-GFCCVEGCSA-N 1 0 384.322 2.158 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cnc1Br ZINC000182699936 532316512 /nfs/dbraw/zinc/31/65/12/532316512.db2.gz WRLLPAVWUBVFTJ-UHFFFAOYSA-N 1 0 395.301 2.178 20 0 GEADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000182971353 532320264 /nfs/dbraw/zinc/32/02/64/532320264.db2.gz ACOQKCQWTHMTQQ-CQSZACIVSA-N 1 0 393.336 2.293 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000183010142 532320790 /nfs/dbraw/zinc/32/07/90/532320790.db2.gz GSNHIRALAXDROP-SWLSCSKDSA-N 1 0 381.523 2.314 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000183070262 532321094 /nfs/dbraw/zinc/32/10/94/532321094.db2.gz TXYZREFKYWXLRC-GFCCVEGCSA-N 1 0 376.906 2.398 20 0 GEADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)C1 ZINC000183116184 532321557 /nfs/dbraw/zinc/32/15/57/532321557.db2.gz PJJATXAKNSOSGJ-SSDOTTSWSA-N 1 0 389.193 2.069 20 0 GEADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2cncc(Br)c2)CCCC1 ZINC000183348594 532323467 /nfs/dbraw/zinc/32/34/67/532323467.db2.gz HSIUEXUKBJSUTE-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@@H]12 ZINC000185115872 532336950 /nfs/dbraw/zinc/33/69/50/532336950.db2.gz OTYCYFYDTCSCEA-CUOATXAZSA-N 1 0 376.254 2.100 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(F)cc(Br)c2)C[C@H]1C ZINC000185585921 532337989 /nfs/dbraw/zinc/33/79/89/532337989.db2.gz YKQZSSGQJBAQNQ-VXGBXAGGSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(F)ccc2Br)C[C@@H]1C ZINC000185575082 532338044 /nfs/dbraw/zinc/33/80/44/532338044.db2.gz UUDOBIXZBDMRIL-NWDGAFQWSA-N 1 0 388.281 2.185 20 0 GEADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000185625556 532338117 /nfs/dbraw/zinc/33/81/17/532338117.db2.gz IBJMJXWAPYHBDI-UHFFFAOYSA-N 1 0 379.320 2.468 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000185677884 532338320 /nfs/dbraw/zinc/33/83/20/532338320.db2.gz FBPZBMLLROTLJE-NSHDSACASA-N 1 0 389.315 2.220 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000185758488 532338560 /nfs/dbraw/zinc/33/85/60/532338560.db2.gz BCLXZDMEEVYUSI-SNVBAGLBSA-N 1 0 377.304 2.219 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000185796358 532338673 /nfs/dbraw/zinc/33/86/73/532338673.db2.gz QYGWOZXRIVQXHX-NSHDSACASA-N 1 0 377.304 2.030 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1Cc2cccc(Br)c2C1 ZINC000185827235 532338921 /nfs/dbraw/zinc/33/89/21/532338921.db2.gz FEIIRCDDODZVCL-ZDUSSCGKSA-N 1 0 381.318 2.110 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000186205247 532340092 /nfs/dbraw/zinc/34/00/92/532340092.db2.gz GUJDCWOCSMAQBO-LBPRGKRZSA-N 1 0 377.304 2.220 20 0 GEADRO C[C@H](NC(=O)Cn1cc(Br)ccc1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000187266388 532343742 /nfs/dbraw/zinc/34/37/42/532343742.db2.gz PPUBLAXJHCKDCV-SCLBCKFNSA-N 1 0 392.297 2.418 20 0 GEADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186256156 532340345 /nfs/dbraw/zinc/34/03/45/532340345.db2.gz VHNASPCSNCVRQY-INIZCTEOSA-N 1 0 395.301 2.193 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000186810441 532342027 /nfs/dbraw/zinc/34/20/27/532342027.db2.gz LYVFZUIWAZHEAQ-MRXNPFEDSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1ccc(Br)cc1 ZINC000186888847 532342498 /nfs/dbraw/zinc/34/24/98/532342498.db2.gz MQNNWJUOJONYQE-ZDUSSCGKSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000186972565 532342735 /nfs/dbraw/zinc/34/27/35/532342735.db2.gz NMJDVUKRFNQBIY-UONOGXRCSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(F)cc1Br ZINC000187095203 532343102 /nfs/dbraw/zinc/34/31/02/532343102.db2.gz ZRZVGNJOJPAYNE-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO COC(C[N@H+](CCCO)Cc1ccc(I)cc1)OC ZINC000183660596 532327578 /nfs/dbraw/zinc/32/75/78/532327578.db2.gz FCUVUCVAFAACMI-UHFFFAOYSA-N 1 0 379.238 2.095 20 0 GEADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000183710692 532328142 /nfs/dbraw/zinc/32/81/42/532328142.db2.gz NDMYQXSDDZUJQY-UHFFFAOYSA-N 1 0 386.465 2.022 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C[N@@H+]1C1CC1 ZINC000183881046 532329543 /nfs/dbraw/zinc/32/95/43/532329543.db2.gz GXDMJVJHSZHPAQ-ZJUUUORDSA-N 1 0 394.269 2.135 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000187212790 532343556 /nfs/dbraw/zinc/34/35/56/532343556.db2.gz VJFIDYFOIYJCIF-NSHDSACASA-N 1 0 384.249 2.142 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@@H]12 ZINC000185035259 532336531 /nfs/dbraw/zinc/33/65/31/532336531.db2.gz QVWNQTHRECKCRV-HFBAOOFYSA-N 1 0 375.270 2.444 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1sccc1Br)NC[C@@H]1CCCCO1 ZINC000185034347 532336619 /nfs/dbraw/zinc/33/66/19/532336619.db2.gz GCCSSYCHNJVFLU-NSHDSACASA-N 1 0 397.360 2.089 20 0 GEADRO C[C@H]1CN(C(=O)NCc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000188033563 532346410 /nfs/dbraw/zinc/34/64/10/532346410.db2.gz LZPNHUIDYLAFBQ-ZDUSSCGKSA-N 1 0 384.318 2.436 20 0 GEADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000188248838 532347502 /nfs/dbraw/zinc/34/75/02/532347502.db2.gz YFGQMCGADAPJAC-UHFFFAOYSA-N 1 0 390.571 2.141 20 0 GEADRO C[C@@H]1CN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)CC[NH2+]1 ZINC000188458395 532348349 /nfs/dbraw/zinc/34/83/49/532348349.db2.gz OKARLWVSKGVDME-LLVKDONJSA-N 1 0 390.285 2.341 20 0 GEADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3cccc(Br)n3)C2)CC1 ZINC000188581690 532348626 /nfs/dbraw/zinc/34/86/26/532348626.db2.gz KPMNHGWJNBNLJR-CQSZACIVSA-N 1 0 396.333 2.478 20 0 GEADRO O=C(CSc1nncn1-c1cccc(Cl)c1)N1CC[NH+]2CCC1CC2 ZINC000188630619 532348940 /nfs/dbraw/zinc/34/89/40/532348940.db2.gz QAQCYRBLNDRDJJ-UHFFFAOYSA-N 1 0 377.901 2.319 20 0 GEADRO C[C@H]1CN(C(=O)Cc2cc(Br)ccc2F)CC[N@@H+]1CC(C)(C)O ZINC000188679645 532349057 /nfs/dbraw/zinc/34/90/57/532349057.db2.gz OZDIQWOFLSKEHV-LBPRGKRZSA-N 1 0 387.293 2.434 20 0 GEADRO C[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188704626 532349239 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Cc1cc(Br)cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000188902364 532350164 /nfs/dbraw/zinc/35/01/64/532350164.db2.gz XBELAIGITBGWHA-ZDUSSCGKSA-N 1 0 382.302 2.496 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000188962233 532350349 /nfs/dbraw/zinc/35/03/49/532350349.db2.gz IUVMYOKQNOIWGV-NSHDSACASA-N 1 0 390.347 2.429 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000189044959 532350625 /nfs/dbraw/zinc/35/06/25/532350625.db2.gz JOEAVPGHWPHIMP-HNNXBMFYSA-N 1 0 375.282 2.356 20 0 GEADRO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000189262385 532351516 /nfs/dbraw/zinc/35/15/16/532351516.db2.gz OLGZYLIDNABSFH-GYSYKLTISA-N 1 0 378.416 2.048 20 0 GEADRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000189661972 532353118 /nfs/dbraw/zinc/35/31/18/532353118.db2.gz QEOKPGCXVQHQDN-OAHLLOKOSA-N 1 0 388.249 2.467 20 0 GEADRO CC[C@@](C)(NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)c1nccs1 ZINC000189653723 532353144 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C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278403844 532377910 /nfs/dbraw/zinc/37/79/10/532377910.db2.gz GCLGNQYCQYWLFI-MNOVXSKESA-N 1 0 379.452 2.158 20 0 GEADRO COC(=O)c1coc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000372231923 532378014 /nfs/dbraw/zinc/37/80/14/532378014.db2.gz OJIRFGLFWBMPGA-IAQYHMDHSA-N 1 0 384.479 2.099 20 0 GEADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000191680001 532362432 /nfs/dbraw/zinc/36/24/32/532362432.db2.gz XTEWWVCFLBBIRX-UKRRQHHQSA-N 1 0 390.285 2.059 20 0 GEADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000515405926 532362540 /nfs/dbraw/zinc/36/25/40/532362540.db2.gz NQFOCRAHQLWHPS-UHFFFAOYSA-N 1 0 376.906 2.367 20 0 GEADRO CC[C@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000647010651 532363173 /nfs/dbraw/zinc/36/31/73/532363173.db2.gz UUZUGMWKBZVQBU-QWRGUYRKSA-N 1 0 388.331 2.168 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c(Br)c1 ZINC000557398273 532363229 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CC(C)(CO)[NH+]1CCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000677945476 532386976 /nfs/dbraw/zinc/38/69/76/532386976.db2.gz ZFHOLDGUNFRPBT-UHFFFAOYSA-N 1 0 385.302 2.133 20 0 GEADRO CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000372358439 532387517 /nfs/dbraw/zinc/38/75/17/532387517.db2.gz IRJBEHFAPCDARG-IXDOHACOSA-N 1 0 394.313 2.451 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cnc3c(Br)cccn23)[C@@H](C)C1 ZINC000425672871 532388351 /nfs/dbraw/zinc/38/83/51/532388351.db2.gz LVOFIZBQFLDRCL-NWDGAFQWSA-N 1 0 396.289 2.016 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Br ZINC000372415849 532389485 /nfs/dbraw/zinc/38/94/85/532389485.db2.gz IHHUKKRTJBWDQX-BYCMXARLSA-N 1 0 398.301 2.182 20 0 GEADRO CNC(=O)CC[N@H+](C)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000464103725 532389627 /nfs/dbraw/zinc/38/96/27/532389627.db2.gz YESPFMLBXYXIRK-HNNXBMFYSA-N 1 0 382.302 2.321 20 0 GEADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000372399191 532390080 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C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCn1cc(CO)nn1 ZINC000623985112 532392727 /nfs/dbraw/zinc/39/27/27/532392727.db2.gz FLVSHEUWYHQIPY-JTQLQIEISA-N 1 0 377.798 2.449 20 0 GEADRO O=C(c1cc2sccc2s1)N1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000372497785 532393394 /nfs/dbraw/zinc/39/33/94/532393394.db2.gz UYSXHISAHNVBSC-KPZWWZAWSA-N 1 0 375.519 2.247 20 0 GEADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cnc(C)s2)c1 ZINC000678583887 532397621 /nfs/dbraw/zinc/39/76/21/532397621.db2.gz CZBBOVXVEFIMJH-GHMZBOCLSA-N 1 0 382.511 2.037 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1I ZINC000516926148 532397653 /nfs/dbraw/zinc/39/76/53/532397653.db2.gz BPKZVMIWRZLNCN-NSHDSACASA-N 1 0 396.294 2.251 20 0 GEADRO Fc1c(Br)cccc1C[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000648452348 532398233 /nfs/dbraw/zinc/39/82/33/532398233.db2.gz YIXQAXVMTHSDMG-HNNXBMFYSA-N 1 0 386.309 2.084 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cc2cc(Cl)cnc2o1)NC[C@@H]1CCCCO1 ZINC000648456759 532398805 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CC[NH+](CC)CCS(=O)(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1 ZINC000516999206 532401946 /nfs/dbraw/zinc/40/19/46/532401946.db2.gz LJLJYNSFHBUROY-HNNXBMFYSA-N 1 0 376.906 2.205 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000464775782 532404328 /nfs/dbraw/zinc/40/43/28/532404328.db2.gz OQZXJTFIUZMIQO-CYBMUJFWSA-N 1 0 387.933 2.098 20 0 GEADRO O=C(CC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)Nc1ccccc1Br ZINC000464788931 532404736 /nfs/dbraw/zinc/40/47/36/532404736.db2.gz AQYRQSZURFPRCF-QGZVFWFLSA-N 1 0 380.286 2.380 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(C(=O)OC)c(F)cc2Br)C1 ZINC000591287445 532404779 /nfs/dbraw/zinc/40/47/79/532404779.db2.gz XIDGPFQCMSLMND-SECBINFHSA-N 1 0 388.237 2.448 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(I)c(F)c1 ZINC000517091244 532404904 /nfs/dbraw/zinc/40/49/04/532404904.db2.gz TUYSNVYNHKFZIY-UHFFFAOYSA-N 1 0 394.228 2.081 20 0 GEADRO CS(=O)(=O)C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)C1CC1 ZINC000559737835 532405520 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CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000280227622 532409162 /nfs/dbraw/zinc/40/91/62/532409162.db2.gz LSURMIWMUBCOMG-SNVBAGLBSA-N 1 0 390.228 2.266 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000517229921 532410301 /nfs/dbraw/zinc/41/03/01/532410301.db2.gz JDTNAHXXFDLHID-OAHLLOKOSA-N 1 0 396.329 2.383 20 0 GEADRO [NH3+]C/C=C/CNC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000591360978 532410308 /nfs/dbraw/zinc/41/03/08/532410308.db2.gz SLHRYZIIVFADHQ-VSZDKKFSSA-N 1 0 399.276 2.380 20 0 GEADRO C[C@@H]1[C@H](C(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000648923071 532410414 /nfs/dbraw/zinc/41/04/14/532410414.db2.gz QDIFQAWKPRNTDR-LALPHHSUSA-N 1 0 387.293 2.196 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1C ZINC000559941668 532408468 /nfs/dbraw/zinc/40/84/68/532408468.db2.gz BTGVHTDDHVLYOC-AAEUAGOBSA-N 1 0 383.290 2.114 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1c(F)cccc1Br)CCO2 ZINC000280254481 532410571 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Cc1nc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)ccc1Br ZINC000192830571 532413009 /nfs/dbraw/zinc/41/30/09/532413009.db2.gz NATGYAQDMMUUTG-UHFFFAOYSA-N 1 0 397.317 2.473 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cccc(Sc3ccccc3)c2)C1 ZINC000625124095 532410696 /nfs/dbraw/zinc/41/06/96/532410696.db2.gz YMBQXLWFBHNIAM-GOSISDBHSA-N 1 0 378.519 2.183 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000560092810 532414753 /nfs/dbraw/zinc/41/47/53/532414753.db2.gz XVMUMUYKXFYRFO-UHFFFAOYSA-N 1 0 386.926 2.493 20 0 GEADRO CN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC[NH+](C)CC1 ZINC000193010774 532416686 /nfs/dbraw/zinc/41/66/86/532416686.db2.gz KYJBTXSESNCYNY-ZDUSSCGKSA-N 1 0 394.313 2.355 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427259882 532416987 /nfs/dbraw/zinc/41/69/87/532416987.db2.gz IUXCLPQUBZGJLI-VIFPVBQESA-N 1 0 390.228 2.218 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000517369659 532415296 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BMABKIMDTOZFJN-HIFRSBDPSA-N 1 0 388.917 2.128 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000517588653 532420715 /nfs/dbraw/zinc/42/07/15/532420715.db2.gz OTNZHWQFAWTTBS-SNVBAGLBSA-N 1 0 395.294 2.265 20 0 GEADRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000649690849 532422346 /nfs/dbraw/zinc/42/23/46/532422346.db2.gz UABPHBBDIPEONI-XHDPSFHLSA-N 1 0 376.906 2.069 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000517657148 532422521 /nfs/dbraw/zinc/42/25/21/532422521.db2.gz PEBRWYPNMOUIBM-UHFFFAOYSA-N 1 0 378.217 2.076 20 0 GEADRO CN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000517647314 532422709 /nfs/dbraw/zinc/42/27/09/532422709.db2.gz CGVDOQIUQVREGP-CQSZACIVSA-N 1 0 395.297 2.458 20 0 GEADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H](O)CC1(O)CCC1 ZINC000625387015 532423163 /nfs/dbraw/zinc/42/31/63/532423163.db2.gz JMBIOEYBCUBSTJ-INIZCTEOSA-N 1 0 395.301 2.128 20 0 GEADRO Cn1cc(S(=O)(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cn1 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GEADRO Cc1csc(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1Cl ZINC000517739037 532425086 /nfs/dbraw/zinc/42/50/86/532425086.db2.gz IJQYMRHSMBZNRO-CHWSQXEVSA-N 1 0 382.917 2.070 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000193519933 532425296 /nfs/dbraw/zinc/42/52/96/532425296.db2.gz ATSJQFKIZHUURA-FZMZJTMJSA-N 1 0 387.933 2.287 20 0 GEADRO CC(C)(COc1ncccc1Br)NC(=O)NCC1=CC[NH2+]CC1 ZINC000517720964 532425434 /nfs/dbraw/zinc/42/54/34/532425434.db2.gz ZVDYOIOLWNJZAL-UHFFFAOYSA-N 1 0 383.290 2.220 20 0 GEADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)CC(C)(F)F)c1 ZINC000560814667 532425509 /nfs/dbraw/zinc/42/55/09/532425509.db2.gz VXZIFMOQFFCMPD-UHFFFAOYSA-N 1 0 377.457 2.291 20 0 GEADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+]C2(C3CCC3)CC2)ccc1Cl ZINC000649809282 532425698 /nfs/dbraw/zinc/42/56/98/532425698.db2.gz DTYGXGKYTNVEBX-UHFFFAOYSA-N 1 0 385.917 2.451 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000625423081 532428104 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CCOC(=O)[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000591953019 532430219 /nfs/dbraw/zinc/43/02/19/532430219.db2.gz OQIIWLLBGQRNLH-SJKOYZFVSA-N 1 0 383.286 2.425 20 0 GEADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc(F)ccc1Br ZINC000193692909 532430303 /nfs/dbraw/zinc/43/03/03/532430303.db2.gz JHJDGHOERVSAQV-GFCCVEGCSA-N 1 0 386.265 2.048 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000561202102 532431562 /nfs/dbraw/zinc/43/15/62/532431562.db2.gz VWDZIGKKWDABBU-BXUZGUMPSA-N 1 0 385.295 2.479 20 0 GEADRO CN(CCn1cc(Br)cn1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681713243 532435509 /nfs/dbraw/zinc/43/55/09/532435509.db2.gz JSDQCCFOUGJPJH-SFHVURJKSA-N 1 0 393.329 2.214 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000626168296 532435620 /nfs/dbraw/zinc/43/56/20/532435620.db2.gz ONRQARBQDAYOJO-VXGBXAGGSA-N 1 0 391.896 2.067 20 0 GEADRO C[N@H+](C[C@H](O)c1ccccc1Br)CC1CCS(=O)(=O)CC1 ZINC000295340111 532435776 /nfs/dbraw/zinc/43/57/76/532435776.db2.gz NJLFGKHIDCGRKM-HNNXBMFYSA-N 1 0 376.316 2.239 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000518132783 532435942 /nfs/dbraw/zinc/43/59/42/532435942.db2.gz LPZNJRRQYGISSW-MNOVXSKESA-N 1 0 384.249 2.188 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000518072565 532436199 /nfs/dbraw/zinc/43/61/99/532436199.db2.gz GFUBJAAMGGLGCQ-RYUDHWBXSA-N 1 0 393.962 2.059 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(OC)ccc2Br)C1 ZINC000626167500 532436201 /nfs/dbraw/zinc/43/62/01/532436201.db2.gz XDLXMHONBLBGPO-GFCCVEGCSA-N 1 0 391.331 2.219 20 0 GEADRO CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000626167842 532436334 /nfs/dbraw/zinc/43/63/34/532436334.db2.gz DNQOVGXCIRLWTF-LLVKDONJSA-N 1 0 394.324 2.193 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N1CC[C@H]([NH3+])c2cc(OC)ccc21 ZINC000373183375 532436411 /nfs/dbraw/zinc/43/64/11/532436411.db2.gz PYQDTSGGRDXQFC-LBPRGKRZSA-N 1 0 382.463 2.142 20 0 GEADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@H]32)ccc1Cl ZINC000681712199 532436572 /nfs/dbraw/zinc/43/65/72/532436572.db2.gz QNILYAMQHYZBOR-IUODEOHRSA-N 1 0 385.917 2.403 20 0 GEADRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)sc1Br ZINC000295344127 532436921 /nfs/dbraw/zinc/43/69/21/532436921.db2.gz DVFVPVOFGDWZPM-SNVBAGLBSA-N 1 0 377.304 2.096 20 0 GEADRO Cn1cc([C@@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)C[C@H]2CO)cn1 ZINC000373105361 532432385 /nfs/dbraw/zinc/43/23/85/532432385.db2.gz XFQARHSALMTKLB-GUYCJALGSA-N 1 0 398.276 2.408 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000466710509 532432430 /nfs/dbraw/zinc/43/24/30/532432430.db2.gz NEPIUBGSPRLVKV-UHFFFAOYSA-N 1 0 388.299 2.406 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000561239377 532433555 /nfs/dbraw/zinc/43/35/55/532433555.db2.gz JXHBNGMPOIPGFD-ZDUSSCGKSA-N 1 0 384.318 2.001 20 0 GEADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193893217 532434241 /nfs/dbraw/zinc/43/42/41/532434241.db2.gz AFTRCJLDLZQGHH-GFCCVEGCSA-N 1 0 383.290 2.163 20 0 GEADRO Cc1nc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1Br ZINC000193893301 532434559 /nfs/dbraw/zinc/43/45/59/532434559.db2.gz MJZQROHNCUPIOR-LBPRGKRZSA-N 1 0 397.317 2.472 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(Br)cc1)C2=O ZINC000518370024 532440587 /nfs/dbraw/zinc/44/05/87/532440587.db2.gz KTSLFWWFXNXRMU-YVEFUNNKSA-N 1 0 394.269 2.071 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000373283652 532440669 /nfs/dbraw/zinc/44/06/69/532440669.db2.gz HQCQXAPYBMMNRR-ZDUSSCGKSA-N 1 0 386.338 2.407 20 0 GEADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)cs2)cc1 ZINC000428039406 532441111 /nfs/dbraw/zinc/44/11/11/532441111.db2.gz DMLQEIKZCVPHJR-WMLDXEAASA-N 1 0 377.535 2.397 20 0 GEADRO COCCN1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000518286094 532437897 /nfs/dbraw/zinc/43/78/97/532437897.db2.gz DQJUXGVBWJCUCX-INIZCTEOSA-N 1 0 379.302 2.445 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1=O ZINC000650159108 532438102 /nfs/dbraw/zinc/43/81/02/532438102.db2.gz PPCFHIKVYZDZBD-UHFFFAOYSA-N 1 0 377.247 2.370 20 0 GEADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427959943 532439153 /nfs/dbraw/zinc/43/91/53/532439153.db2.gz YVUDXIMJHRAMMU-KOLCDFICSA-N 1 0 379.707 2.475 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cn1 ZINC000427958614 532439673 /nfs/dbraw/zinc/43/96/73/532439673.db2.gz UUVMLBPIWXZGPV-LBPRGKRZSA-N 1 0 386.905 2.330 20 0 GEADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428029927 532441443 /nfs/dbraw/zinc/44/14/43/532441443.db2.gz GELXLWSDYVWLLW-JMSVASOKSA-N 1 0 399.276 2.302 20 0 GEADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000193988986 532440167 /nfs/dbraw/zinc/44/01/67/532440167.db2.gz KTCCYPVUSVTLIY-UHFFFAOYSA-N 1 0 384.304 2.048 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000373264235 532440296 /nfs/dbraw/zinc/44/02/96/532440296.db2.gz CDGUCMXIESCXNZ-UHFFFAOYSA-N 1 0 377.491 2.434 20 0 GEADRO C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H](O)c1ccccc1Br ZINC000295387728 532442282 /nfs/dbraw/zinc/44/22/82/532442282.db2.gz RFJNSQHDEYDBNE-MFKMUULPSA-N 1 0 386.208 2.354 20 0 GEADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cccc(Br)c1F)CCO2 ZINC000295384740 532442458 /nfs/dbraw/zinc/44/24/58/532442458.db2.gz KSRASKVHOJUWBR-WFASDCNBSA-N 1 0 392.290 2.414 20 0 GEADRO COc1ccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c(I)c1 ZINC000592241754 532442526 /nfs/dbraw/zinc/44/25/26/532442526.db2.gz HANMNAVVHSSAEA-CQSZACIVSA-N 1 0 388.249 2.370 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626842310 532443298 /nfs/dbraw/zinc/44/32/98/532443298.db2.gz PCZNLKZLMMQWFC-UHFFFAOYSA-N 1 0 380.286 2.023 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000626847728 532443867 /nfs/dbraw/zinc/44/38/67/532443867.db2.gz YHKFVYRGWIBMLB-ZDUSSCGKSA-N 1 0 390.228 2.122 20 0 GEADRO OCC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682218214 532443922 /nfs/dbraw/zinc/44/39/22/532443922.db2.gz GQJOLOITVDCOMB-WFASDCNBSA-N 1 0 376.266 2.422 20 0 GEADRO O=C(c1cc(I)c[nH]1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254458 532443935 /nfs/dbraw/zinc/44/39/35/532443935.db2.gz CVLRZFSMZAIGKI-RYUDHWBXSA-N 1 0 387.265 2.471 20 0 GEADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000626846510 532444047 /nfs/dbraw/zinc/44/40/47/532444047.db2.gz RTFJTLQVTREXIB-LBPRGKRZSA-N 1 0 390.228 2.122 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000428116511 532444141 /nfs/dbraw/zinc/44/41/41/532444141.db2.gz DHIUHISKDZTTDF-INIZCTEOSA-N 1 0 382.302 2.132 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)c(F)cc1Br ZINC000626846069 532444202 /nfs/dbraw/zinc/44/42/02/532444202.db2.gz ABSCADHKDRUKIM-CQSZACIVSA-N 1 0 386.265 2.292 20 0 GEADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626849307 532444323 /nfs/dbraw/zinc/44/43/23/532444323.db2.gz SUYMCEDCVAYZBO-LBPRGKRZSA-N 1 0 386.677 2.442 20 0 GEADRO NS(=O)(=O)c1cc(F)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000428119592 532444302 /nfs/dbraw/zinc/44/43/02/532444302.db2.gz GRVWWOLDTCDDGZ-NXEZZACHSA-N 1 0 392.294 2.274 20 0 GEADRO CC[NH+](CC)CCCNc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000428113411 532444346 /nfs/dbraw/zinc/44/43/46/532444346.db2.gz WIFSPXLQOFCJGU-UHFFFAOYSA-N 1 0 382.299 2.379 20 0 GEADRO NS(=O)(=O)c1cc(F)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000428119603 532445025 /nfs/dbraw/zinc/44/50/25/532445025.db2.gz GRVWWOLDTCDDGZ-VHSXEESVSA-N 1 0 392.294 2.274 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1Br)C1CC[NH+](C)CC1 ZINC000682191783 532441596 /nfs/dbraw/zinc/44/15/96/532441596.db2.gz GFZODHOJJLNFKN-JTQLQIEISA-N 1 0 386.265 2.373 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000626836209 532442116 /nfs/dbraw/zinc/44/21/16/532442116.db2.gz SLXSGZNNIQCWIL-SKDRFNHKSA-N 1 0 386.315 2.224 20 0 GEADRO CCN(CC[NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000626963809 532446397 /nfs/dbraw/zinc/44/63/97/532446397.db2.gz DBXAHPSCBTXUMF-UHFFFAOYSA-N 1 0 384.318 2.488 20 0 GEADRO Cn1ccnc1[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C1CC1 ZINC000467420180 532446603 /nfs/dbraw/zinc/44/66/03/532446603.db2.gz SIDZXHYVAHCQRM-INIZCTEOSA-N 1 0 382.917 2.483 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000626945263 532446753 /nfs/dbraw/zinc/44/67/53/532446753.db2.gz AJLNVBOCJNMHCK-UONOGXRCSA-N 1 0 383.290 2.217 20 0 GEADRO C[C@@H]1CC[C@@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)C[NH2+]1 ZINC000626951855 532446970 /nfs/dbraw/zinc/44/69/70/532446970.db2.gz JGPNKDUWTZOJTA-ZYHUDNBSSA-N 1 0 384.274 2.160 20 0 GEADRO O=C(CCOc1cccc(Br)c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000561688757 532447462 /nfs/dbraw/zinc/44/74/62/532447462.db2.gz CMNGKXCTKGZDEI-HNNXBMFYSA-N 1 0 385.302 2.181 20 0 GEADRO C[C@@H]1CN(C(=O)c2cncc(I)c2)CC[N@@H+](C2CC2)C1 ZINC000295466602 532449207 /nfs/dbraw/zinc/44/92/07/532449207.db2.gz XZWRMJDTXKKNDO-NSHDSACASA-N 1 0 385.249 2.243 20 0 GEADRO C[C@@H]1CC[C@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)C[NH2+]1 ZINC000626951854 532447455 /nfs/dbraw/zinc/44/74/55/532447455.db2.gz JGPNKDUWTZOJTA-PWSUYJOCSA-N 1 0 384.274 2.160 20 0 GEADRO C[C@H]1CC[C@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)C[NH2+]1 ZINC000626962754 532447499 /nfs/dbraw/zinc/44/74/99/532447499.db2.gz TVEFATGEEVLXMT-WFASDCNBSA-N 1 0 397.317 2.009 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000626960134 532447694 /nfs/dbraw/zinc/44/76/94/532447694.db2.gz VUMAYDFPMXWEJJ-QWHCGFSZSA-N 1 0 386.290 2.406 20 0 GEADRO O=C(c1nc2ccccc2cc1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627267082 532448840 /nfs/dbraw/zinc/44/88/40/532448840.db2.gz JOKLCXIQFWMDGT-KBPBESRZSA-N 1 0 390.281 2.278 20 0 GEADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270969 532449187 /nfs/dbraw/zinc/44/91/87/532449187.db2.gz ORVYUAFKUSRLJL-ZMSDIMECSA-N 1 0 379.298 2.146 20 0 GEADRO Cn1c(SCC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)nnc1-c1cccs1 ZINC000561773777 532451964 /nfs/dbraw/zinc/45/19/64/532451964.db2.gz JPVLKIDYEUFYMI-KRWDZBQOSA-N 1 0 377.539 2.190 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+]C2CSC2)C1 ZINC000683000705 532452325 /nfs/dbraw/zinc/45/23/25/532452325.db2.gz GPDAYVUIRQSTGX-LBPRGKRZSA-N 1 0 391.356 2.307 20 0 GEADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1I ZINC000592367638 532452488 /nfs/dbraw/zinc/45/24/88/532452488.db2.gz WCVQXMFVEGELNO-LLVKDONJSA-N 1 0 394.278 2.020 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000561728157 532449367 /nfs/dbraw/zinc/44/93/67/532449367.db2.gz OCTCNKVRDHDVEF-UHFFFAOYSA-N 1 0 382.357 2.497 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000592340290 532449926 /nfs/dbraw/zinc/44/99/26/532449926.db2.gz LWQBEHVZWLVWQZ-STQMWFEESA-N 1 0 393.887 2.290 20 0 GEADRO O=C(CCc1ccc(Cl)s1)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000373464564 532450458 /nfs/dbraw/zinc/45/04/58/532450458.db2.gz GHDMLWBKJRFBQT-UHFFFAOYSA-N 1 0 385.961 2.201 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373473689 532451760 /nfs/dbraw/zinc/45/17/60/532451760.db2.gz JCSKMFDDTYVSKO-WDEREUQCSA-N 1 0 377.482 2.288 20 0 GEADRO COc1ncncc1C[NH2+]CCOc1ccc(I)cc1 ZINC000592367079 532451816 /nfs/dbraw/zinc/45/18/16/532451816.db2.gz NEBOSKHDFXDZSX-UHFFFAOYSA-N 1 0 385.205 2.258 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000627825728 532457656 /nfs/dbraw/zinc/45/76/56/532457656.db2.gz FAPAOGMSWYVNST-NSHDSACASA-N 1 0 386.265 2.375 20 0 GEADRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1I ZINC000592380856 532452923 /nfs/dbraw/zinc/45/29/23/532452923.db2.gz SDVIJCMUPJEPMI-WDEREUQCSA-N 1 0 394.278 2.148 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000467723948 532453544 /nfs/dbraw/zinc/45/35/44/532453544.db2.gz MPGWAUOUSPBEPT-LBPRGKRZSA-N 1 0 382.302 2.168 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000194801377 532457719 /nfs/dbraw/zinc/45/77/19/532457719.db2.gz BHTQSMCLPUHVFR-GOSISDBHSA-N 1 0 381.929 2.359 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592569027 532455059 /nfs/dbraw/zinc/45/50/59/532455059.db2.gz VYWBGUDDLJKEBO-GDNZZTSVSA-N 1 0 376.625 2.026 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000194769866 532455398 /nfs/dbraw/zinc/45/53/98/532455398.db2.gz SUKVHKSFBPRLLP-ZDUSSCGKSA-N 1 0 377.304 2.254 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ncc(Br)cc1F ZINC000373528970 532455646 /nfs/dbraw/zinc/45/56/46/532455646.db2.gz KFHYDCDERHGJBT-IEVXNVSRSA-N 1 0 399.264 2.354 20 0 GEADRO O=C(NC[C@@H](O)COc1ccccc1Br)C1CC[NH+](C2CC2)CC1 ZINC000194767915 532456098 /nfs/dbraw/zinc/45/60/98/532456098.db2.gz UAVNCGPUBDFSQY-OAHLLOKOSA-N 1 0 397.313 2.179 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000373526339 532456214 /nfs/dbraw/zinc/45/62/14/532456214.db2.gz JCZYZYMEBADUNW-MRXNPFEDSA-N 1 0 388.896 2.221 20 0 GEADRO O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428625870 532456351 /nfs/dbraw/zinc/45/63/51/532456351.db2.gz VSZDVCOCPGJZNN-ZDUSSCGKSA-N 1 0 384.307 2.206 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)c2csc(CC[NH3+])n2)ccc1Br ZINC000194795128 532458399 /nfs/dbraw/zinc/45/83/99/532458399.db2.gz GSKSFZHWYVOYLK-UHFFFAOYSA-N 1 0 397.298 2.084 20 0 GEADRO Cn1nc(Br)cc1C(=O)NCC1(C)C[NH+](Cc2ccccc2)C1 ZINC000373575972 532458458 /nfs/dbraw/zinc/45/84/58/532458458.db2.gz WIGAKHIVDFTAHW-UHFFFAOYSA-N 1 0 377.286 2.435 20 0 GEADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000683411388 532458524 /nfs/dbraw/zinc/45/85/24/532458524.db2.gz SMOKJVFKRQXXQJ-INIZCTEOSA-N 1 0 396.310 2.272 20 0 GEADRO C[N@H+](C[C@@H](O)CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000519371140 532460406 /nfs/dbraw/zinc/46/04/06/532460406.db2.gz CBTFZYUIKGACNW-CQSZACIVSA-N 1 0 386.323 2.206 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(I)ccc3O)[C@H]2C1 ZINC000373623030 532460709 /nfs/dbraw/zinc/46/07/09/532460709.db2.gz KUKROEXOXYZACA-MFKMUULPSA-N 1 0 386.233 2.163 20 0 GEADRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428794204 532461496 /nfs/dbraw/zinc/46/14/96/532461496.db2.gz REEGCPIAWJWHIM-CQSZACIVSA-N 1 0 380.432 2.440 20 0 GEADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](C)[NH3+] ZINC000194870068 532461873 /nfs/dbraw/zinc/46/18/73/532461873.db2.gz QGISBSICZZRONF-RNCFNFMXSA-N 1 0 378.325 2.308 20 0 GEADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@@H]1C ZINC000428941012 532464884 /nfs/dbraw/zinc/46/48/84/532464884.db2.gz SWYYDMYSGMNFOA-QWHCGFSZSA-N 1 0 387.933 2.368 20 0 GEADRO C[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373725475 532464900 /nfs/dbraw/zinc/46/49/00/532464900.db2.gz IRGSISUALSBKBI-HIFRSBDPSA-N 1 0 382.917 2.262 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCn1cc(Br)ccc1=O ZINC000468456968 532465101 /nfs/dbraw/zinc/46/51/01/532465101.db2.gz AOOPRCLEBDMADN-CQSZACIVSA-N 1 0 384.318 2.238 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000428923743 532465336 /nfs/dbraw/zinc/46/53/36/532465336.db2.gz FGLIXQMGAULLED-UHFFFAOYSA-N 1 0 385.917 2.195 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000428980818 532466367 /nfs/dbraw/zinc/46/63/67/532466367.db2.gz WTHJELFIZYWDNZ-BFHYXJOUSA-N 1 0 394.313 2.306 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000683913706 532466713 /nfs/dbraw/zinc/46/67/13/532466713.db2.gz PUTOXTHPOXFZNQ-KSSFIOAISA-N 1 0 399.329 2.440 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000373741119 532466710 /nfs/dbraw/zinc/46/67/10/532466710.db2.gz KYEUCMCUCKHUNW-AWEZNQCLSA-N 1 0 388.339 2.340 20 0 GEADRO C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000428980822 532467159 /nfs/dbraw/zinc/46/71/59/532467159.db2.gz WTHJELFIZYWDNZ-IHRRRGAJSA-N 1 0 394.313 2.306 20 0 GEADRO C[NH+](C)CCN1CCN(c2ccnc3cc(Br)ccc32)CC1=O ZINC000651383056 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GEADRO C[NH+](C)CCN1CCN(c2ccc3cccc(Br)c3n2)CC1=O ZINC000651383438 532471367 /nfs/dbraw/zinc/47/13/67/532471367.db2.gz ZMDIERKLIXUSEK-UHFFFAOYSA-N 1 0 377.286 2.208 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000429178703 532471437 /nfs/dbraw/zinc/47/14/37/532471437.db2.gz DGMTUIVYNSQDHE-MAZHCROVSA-N 1 0 396.329 2.399 20 0 GEADRO O=C1[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)CCN1c1cccc(Br)c1 ZINC000684201838 532471601 /nfs/dbraw/zinc/47/16/01/532471601.db2.gz YLSZNBMXBBQGJG-WFASDCNBSA-N 1 0 390.285 2.082 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000429181509 532471974 /nfs/dbraw/zinc/47/19/74/532471974.db2.gz KTUUEEYEDYJWHM-GFCCVEGCSA-N 1 0 387.552 2.001 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cc1Br ZINC000429334036 532473251 /nfs/dbraw/zinc/47/32/51/532473251.db2.gz SAHSTKNSLJODJU-STQMWFEESA-N 1 0 377.304 2.219 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)C1 ZINC000628425411 532467509 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Cc1ncsc1CCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000562718864 532479604 /nfs/dbraw/zinc/47/96/04/532479604.db2.gz LPMFTOUSDBOBLA-RHSMWYFYSA-N 1 0 379.551 2.434 20 0 GEADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429597674 532481770 /nfs/dbraw/zinc/48/17/70/532481770.db2.gz NHAALIKRKGVMGR-GJZGRUSLSA-N 1 0 382.302 2.057 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)CCOc1cccc(I)c1 ZINC000468958191 532481932 /nfs/dbraw/zinc/48/19/32/532481932.db2.gz NMADAPCBYQVNBE-ZDUSSCGKSA-N 1 0 388.249 2.271 20 0 GEADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Br)cc1Br ZINC000629173819 532481954 /nfs/dbraw/zinc/48/19/54/532481954.db2.gz VTBHGFGFPMNXTF-SNVBAGLBSA-N 1 0 392.091 2.008 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000562761955 532482131 /nfs/dbraw/zinc/48/21/31/532482131.db2.gz PHHJNHYZKSDOGF-SNVBAGLBSA-N 1 0 396.314 3.041 20 0 GEADRO O=C(CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000562803088 532483303 /nfs/dbraw/zinc/48/33/03/532483303.db2.gz HGXYJAVQFNFFRP-HNNXBMFYSA-N 1 0 395.301 2.314 20 0 GEADRO C[NH+](C)CCOCCNc1ncnc2cc(I)sc21 ZINC000593468498 532483413 /nfs/dbraw/zinc/48/34/13/532483413.db2.gz GDQDYRZFQNFNLG-UHFFFAOYSA-N 1 0 392.266 2.286 20 0 GEADRO C[C@H](CC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000429932338 532484365 /nfs/dbraw/zinc/48/43/65/532484365.db2.gz VFMCZUKDTVPHDY-BDJLRTHQSA-N 1 0 382.302 2.118 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Cl)c2Cl)C1 ZINC000562823168 532485252 /nfs/dbraw/zinc/48/52/52/532485252.db2.gz YBGQASIQSHGCJL-NEPJUHHUSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Oc1ccccc1Br ZINC000562810450 532485546 /nfs/dbraw/zinc/48/55/46/532485546.db2.gz VMOBLBCKCVRZLU-MCIONIFRSA-N 1 0 382.302 2.467 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000562839306 532485686 /nfs/dbraw/zinc/48/56/86/532485686.db2.gz LJYOVLDPECHIAT-ZACQAIPSSA-N 1 0 396.329 2.194 20 0 GEADRO COCC[C@@]1(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC[NH2+]C1 ZINC000429996304 532486407 /nfs/dbraw/zinc/48/64/07/532486407.db2.gz ZTKIOTDVPOCTRN-DYVFJYSZSA-N 1 0 385.302 2.349 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000374083682 532487668 /nfs/dbraw/zinc/48/76/68/532487668.db2.gz MVFPVUJRJJJTKJ-UKRRQHHQSA-N 1 0 388.917 2.128 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)NCCOc2cccc(Br)c2)n1 ZINC000520249406 532487840 /nfs/dbraw/zinc/48/78/40/532487840.db2.gz UPZWPGSQCOJFFB-UHFFFAOYSA-N 1 0 381.274 2.016 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)C[C@H]21 ZINC000629354425 532488573 /nfs/dbraw/zinc/48/85/73/532488573.db2.gz QILHYGHXVLBESV-IWIIMEHWSA-N 1 0 379.707 2.283 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)C[C@H]21 ZINC000228762876 532488859 /nfs/dbraw/zinc/48/88/59/532488859.db2.gz BXTGXJMMLVAJDM-IRUJWGPZSA-N 1 0 377.279 2.336 20 0 GEADRO CCOc1ccc(Br)cc1CN(C(=O)COC1C[NH2+]C1)C1CC1 ZINC000430108098 532489275 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COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000685027550 532490493 /nfs/dbraw/zinc/49/04/93/532490493.db2.gz PCGWGDLFCKKHMO-UHFFFAOYSA-N 1 0 392.258 2.298 20 0 GEADRO CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000236773241 532497133 /nfs/dbraw/zinc/49/71/33/532497133.db2.gz OTILNPVFHUGMBO-HNNXBMFYSA-N 1 0 382.302 2.251 20 0 GEADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000562985913 532492454 /nfs/dbraw/zinc/49/24/54/532492454.db2.gz WCSJWSAXTSJJNZ-GDBMZVCRSA-N 1 0 385.302 2.322 20 0 GEADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000236680335 532492571 /nfs/dbraw/zinc/49/25/71/532492571.db2.gz URQXPTMFFCDTCC-CQSZACIVSA-N 1 0 382.302 2.107 20 0 GEADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000651769799 532492841 /nfs/dbraw/zinc/49/28/41/532492841.db2.gz XIVOKWUBTYMGMZ-UHFFFAOYSA-N 1 0 376.906 2.367 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CC[N@@H+]1CC(C)(C)O ZINC000282750588 532492966 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20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000236679687 532493615 /nfs/dbraw/zinc/49/36/15/532493615.db2.gz VTFUWVXWLZQALS-LBPRGKRZSA-N 1 0 387.933 2.370 20 0 GEADRO COCCCn1nccc1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000282756487 532493793 /nfs/dbraw/zinc/49/37/93/532493793.db2.gz VPCXRTRGDWZKNL-UHFFFAOYSA-N 1 0 395.301 2.202 20 0 GEADRO COc1ccc(Br)c(CN(C)C(=O)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000430205207 532494789 /nfs/dbraw/zinc/49/47/89/532494789.db2.gz JBLZMUNCJBHNDU-CYBMUJFWSA-N 1 0 385.302 2.384 20 0 GEADRO C[C@@H](CO)N1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000469211952 532495066 /nfs/dbraw/zinc/49/50/66/532495066.db2.gz VPBZCHBHPRVWCQ-LBPRGKRZSA-N 1 0 381.325 2.212 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000236717727 532495104 /nfs/dbraw/zinc/49/51/04/532495104.db2.gz DOGAYOHLHBKKCW-UHFFFAOYSA-N 1 0 395.301 2.021 20 0 GEADRO CN(CCOc1ccc(Cl)cc1)C(=O)CN1CCO[C@@]2(CCSC2)C1 ZINC000520575116 532495232 /nfs/dbraw/zinc/49/52/32/532495232.db2.gz 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CC(C)Oc1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000653140907 532532798 /nfs/dbraw/zinc/53/27/98/532532798.db2.gz PIYAIMYESNGFBG-OAHLLOKOSA-N 1 0 396.329 2.356 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)c3nccn3c2)cn1 ZINC000630873739 532533047 /nfs/dbraw/zinc/53/30/47/532533047.db2.gz KKUIIBHJOUWEGI-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO NS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000471158899 532545286 /nfs/dbraw/zinc/54/52/86/532545286.db2.gz FJCNVPFLPHWKTL-NSHDSACASA-N 1 0 380.297 2.075 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000470588292 532533153 /nfs/dbraw/zinc/53/31/53/532533153.db2.gz PUJRASHAJGWEPH-NSHDSACASA-N 1 0 393.709 2.300 20 0 GEADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000653432192 532533640 /nfs/dbraw/zinc/53/36/40/532533640.db2.gz CQYJVXQMGUBEMT-UHFFFAOYSA-N 1 0 396.329 2.052 20 0 GEADRO C[C@]1(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CCC[NH2+]C1 ZINC000564837348 532533804 /nfs/dbraw/zinc/53/38/04/532533804.db2.gz 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389.315 2.220 20 0 GEADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631993686 532572135 /nfs/dbraw/zinc/57/21/35/532572135.db2.gz XIHSJTQRCBSLBP-QMTHXVAHSA-N 1 0 377.279 2.351 20 0 GEADRO COc1ncc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1Br ZINC000565713925 532573438 /nfs/dbraw/zinc/57/34/38/532573438.db2.gz CWTHJNMIDHSIKN-UHFFFAOYSA-N 1 0 378.270 2.496 20 0 GEADRO O=C(CC[NH2+][C@@H]1CCCN(CCCO)C1)Nc1ccc(Br)cc1 ZINC000565716522 532574368 /nfs/dbraw/zinc/57/43/68/532574368.db2.gz ILLYOQOXSUBYQX-MRXNPFEDSA-N 1 0 384.318 2.214 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000472464173 532575067 /nfs/dbraw/zinc/57/50/67/532575067.db2.gz QTICGALABYCOEH-GFCCVEGCSA-N 1 0 385.306 2.417 20 0 GEADRO O=C(C[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1cccc(I)c1 ZINC000595779903 532575226 /nfs/dbraw/zinc/57/52/26/532575226.db2.gz GVGUMMGDWGLYGY-QWHCGFSZSA-N 1 0 386.233 2.123 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@@H]1[NH+](C)C ZINC000472441328 532575414 /nfs/dbraw/zinc/57/54/14/532575414.db2.gz ZPMUTVNSVGICEO-NWANDNLSSA-N 1 0 385.327 2.257 20 0 GEADRO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000375687589 532575484 /nfs/dbraw/zinc/57/54/84/532575484.db2.gz KAGRJZOQJAIKRH-CHWSQXEVSA-N 1 0 386.901 2.374 20 0 GEADRO O=C(CCn1cc(Br)ccc1=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261689441 532575830 /nfs/dbraw/zinc/57/58/30/532575830.db2.gz IGUOOAWIQKIYIH-UHFFFAOYSA-N 1 0 394.244 2.424 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ncsc2Br)[C@H](C)C1 ZINC000632026772 532576011 /nfs/dbraw/zinc/57/60/11/532576011.db2.gz LWRATLPQWJOKOY-PWSUYJOCSA-N 1 0 396.376 2.398 20 0 GEADRO CO[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1Br ZINC000654928073 532576324 /nfs/dbraw/zinc/57/63/24/532576324.db2.gz WOSMMHFMQYOFDS-YOEHRIQHSA-N 1 0 399.329 2.490 20 0 GEADRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c(OC)n1 ZINC000566129766 532595336 /nfs/dbraw/zinc/59/53/36/532595336.db2.gz ICFSFDRBQZQYQS-AWEZNQCLSA-N 1 0 397.269 2.391 20 0 GEADRO C[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000261743760 532577116 /nfs/dbraw/zinc/57/71/16/532577116.db2.gz KXIHJXLKBWCQLV-SMDDNHRTSA-N 1 0 387.265 2.302 20 0 GEADRO CC(C)(C)C(=O)N1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261739189 532578373 /nfs/dbraw/zinc/57/83/73/532578373.db2.gz LQZOHNGMDKKREE-GOSISDBHSA-N 1 0 396.329 2.340 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000433751737 532578407 /nfs/dbraw/zinc/57/84/07/532578407.db2.gz PLBSOMJCJOJFJJ-CYBMUJFWSA-N 1 0 375.694 2.482 20 0 GEADRO O=C(NCc1cccs1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000284143082 532578848 /nfs/dbraw/zinc/57/88/48/532578848.db2.gz SLDNMVSMQCYJOO-AWEZNQCLSA-N 1 0 377.535 2.454 20 0 GEADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000565827838 532578965 /nfs/dbraw/zinc/57/89/65/532578965.db2.gz CYFBISMNXUBQAT-OAHLLOKOSA-N 1 0 383.286 2.500 20 0 GEADRO COCC1(CNS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000261958449 532578976 /nfs/dbraw/zinc/57/89/76/532578976.db2.gz GXKNFWHUHRXQJX-UHFFFAOYSA-N 1 0 380.432 2.308 20 0 GEADRO Cc1nc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)ccc1I ZINC000595949595 532579505 /nfs/dbraw/zinc/57/95/05/532579505.db2.gz GGPOKMLCMURCQC-LLVKDONJSA-N 1 0 399.154 2.475 20 0 GEADRO Cc1nc(C)c(S(=O)(=O)NCCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000433835989 532579794 /nfs/dbraw/zinc/57/97/94/532579794.db2.gz KOVVPWZWKVOSIT-UHFFFAOYSA-N 1 0 383.539 2.221 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000565833562 532579775 /nfs/dbraw/zinc/57/97/75/532579775.db2.gz JRQLKLSORQALDW-GHMZBOCLSA-N 1 0 377.304 2.254 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000261977083 532580086 /nfs/dbraw/zinc/58/00/86/532580086.db2.gz BTQVZMBMAUVBMM-INIZCTEOSA-N 1 0 396.329 2.434 20 0 GEADRO Cc1c(Br)cc(C(=O)NCc2ccccc2C[NH+](C)C)c(=O)n1C ZINC000433811059 532580170 /nfs/dbraw/zinc/58/01/70/532580170.db2.gz NJIOBDDKYGXBFQ-UHFFFAOYSA-N 1 0 392.297 2.448 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(Br)c1 ZINC000375751508 532580502 /nfs/dbraw/zinc/58/05/02/532580502.db2.gz SULOGVLVCUDVNT-PXAZEXFGSA-N 1 0 396.285 2.268 20 0 GEADRO Cc1ccc(SCCC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261950584 532580522 /nfs/dbraw/zinc/58/05/22/532580522.db2.gz KBCNPXRMKHUHGI-HNNXBMFYSA-N 1 0 375.460 2.430 20 0 GEADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000297322787 532581214 /nfs/dbraw/zinc/58/12/14/532581214.db2.gz LNLJEKHUPGLCPC-GFCCVEGCSA-N 1 0 393.289 2.441 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284177335 532581363 /nfs/dbraw/zinc/58/13/63/532581363.db2.gz GNPBIFLIKXLYLX-CVEARBPZSA-N 1 0 394.313 2.151 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(Br)c1 ZINC000375751510 532581497 /nfs/dbraw/zinc/58/14/97/532581497.db2.gz SULOGVLVCUDVNT-SJKOYZFVSA-N 1 0 396.285 2.268 20 0 GEADRO Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000261990976 532581498 /nfs/dbraw/zinc/58/14/98/532581498.db2.gz DYCPPOTVSYGWAU-GJZGRUSLSA-N 1 0 396.329 2.031 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000261993554 532581671 /nfs/dbraw/zinc/58/16/71/532581671.db2.gz CZVMFWOYVLEBJJ-INIZCTEOSA-N 1 0 384.318 2.286 20 0 GEADRO O=C(c1cc2cc(Br)ccc2o1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261997590 532582061 /nfs/dbraw/zinc/58/20/61/532582061.db2.gz FWGXXXLHYHTYQL-AWEZNQCLSA-N 1 0 378.270 2.315 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000376121875 532595488 /nfs/dbraw/zinc/59/54/88/532595488.db2.gz BPYPHVBCMKUBIA-KCPJHIHWSA-N 1 0 398.301 2.182 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC000632488661 532613930 /nfs/dbraw/zinc/61/39/30/532613930.db2.gz GNOHCGKXMJFSSV-ZDUSSCGKSA-N 1 0 388.917 2.128 20 0 GEADRO COc1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc(I)c1OC ZINC000435373704 532614879 /nfs/dbraw/zinc/61/48/79/532614879.db2.gz ODLSEAYCVKJGMZ-CMPLNLGQSA-N 1 0 390.265 2.478 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656360861 532614944 /nfs/dbraw/zinc/61/49/44/532614944.db2.gz WPNLUVDPTUKHAU-KGLIPLIRSA-N 1 0 398.301 2.134 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCO[C@@H](C[NH3+])C1 ZINC000435389717 532615768 /nfs/dbraw/zinc/61/57/68/532615768.db2.gz MDTSCGAGHZGXPR-INIZCTEOSA-N 1 0 379.302 2.411 20 0 GEADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c(Br)c(F)c2)CC1 ZINC000297978192 532615918 /nfs/dbraw/zinc/61/59/18/532615918.db2.gz VYLHUUUEJZGHGD-UHFFFAOYSA-N 1 0 386.265 2.436 20 0 GEADRO C[NH2+]C[C@@H]1CCN(Cc2cc(I)c(OC)c(OC)c2)C1 ZINC000435383710 532615991 /nfs/dbraw/zinc/61/59/91/532615991.db2.gz IQYFVVXOTWKCGW-NSHDSACASA-N 1 0 390.265 2.350 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000656339886 532616011 /nfs/dbraw/zinc/61/60/11/532616011.db2.gz MDRCIGVZBMPOOS-UHFFFAOYSA-N 1 0 398.345 2.468 20 0 GEADRO CS[C@H]1CN(C(=O)c2c(C(F)(F)F)nc3n2CCCC3)C[C@H]1[NH+](C)C ZINC000597446510 532617566 /nfs/dbraw/zinc/61/75/66/532617566.db2.gz OJXFIKAOVQQXPA-MNOVXSKESA-N 1 0 376.448 2.356 20 0 GEADRO Cc1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000566560086 532617630 /nfs/dbraw/zinc/61/76/30/532617630.db2.gz DCZYSPNQALLYKU-ZDUSSCGKSA-N 1 0 382.295 2.202 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000474453832 532618384 /nfs/dbraw/zinc/61/83/84/532618384.db2.gz HHEGFRPMBMXKRB-LSDHHAIUSA-N 1 0 397.317 2.149 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000284777307 532618354 /nfs/dbraw/zinc/61/83/54/532618354.db2.gz JQSCBSPBPWNDTM-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO COc1ccc(-c2cn(CCN3CC[C@H]([NH+](C)C)C3)nn2)cc1Br ZINC000656443461 532619402 /nfs/dbraw/zinc/61/94/02/532619402.db2.gz HPXBRMSNSRVJFC-AWEZNQCLSA-N 1 0 394.317 2.352 20 0 GEADRO CN(CC(=O)N(C)CC1([NH+](C)C)CCC1)C(=O)c1ccc(Br)o1 ZINC000474612809 532622282 /nfs/dbraw/zinc/62/22/82/532622282.db2.gz BBNPELXSOYPNLV-UHFFFAOYSA-N 1 0 386.290 2.057 20 0 GEADRO CCc1nncn1CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530466002 532621389 /nfs/dbraw/zinc/62/13/89/532621389.db2.gz BQYMVETZAGSXAH-SECBINFHSA-N 1 0 392.312 2.146 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000529387883 532599528 /nfs/dbraw/zinc/59/95/28/532599528.db2.gz QEGDVUCLUUDXMR-MRXNPFEDSA-N 1 0 382.302 2.327 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000262773357 532599803 /nfs/dbraw/zinc/59/98/03/532599803.db2.gz BNIGEGHSSLUGBH-DYEKYZERSA-N 1 0 380.286 2.059 20 0 GEADRO Cc1cc(Br)c(C(=O)N[C@H](CO)C[NH+](C)C)cc1Br ZINC000529390092 532599971 /nfs/dbraw/zinc/59/99/71/532599971.db2.gz VWNWZWIBONHUTP-VIFPVBQESA-N 1 0 394.107 2.172 20 0 GEADRO [NH3+]CC1(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CCCC1 ZINC000262757898 532600322 /nfs/dbraw/zinc/60/03/22/532600322.db2.gz IKAZDBKQDLGWSX-ZDUSSCGKSA-N 1 0 388.917 2.305 20 0 GEADRO CS(=O)(=O)c1cccc(Br)c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000376184693 532600440 /nfs/dbraw/zinc/60/04/40/532600440.db2.gz BVATVOJUCXLWOW-NEPJUHHUSA-N 1 0 389.315 2.128 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000262785189 532600679 /nfs/dbraw/zinc/60/06/79/532600679.db2.gz QFYZFAHKKXSEJD-NFAWXSAZSA-N 1 0 388.917 2.032 20 0 GEADRO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000434713734 532600703 /nfs/dbraw/zinc/60/07/03/532600703.db2.gz JYQRFJGEUPGGKM-UHFFFAOYSA-N 1 0 383.583 2.430 20 0 GEADRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cn(-c3cccc(Cl)c3Cl)nn1)C2 ZINC000655843692 532601021 /nfs/dbraw/zinc/60/10/21/532601021.db2.gz VQFKMUNDPSXFFJ-SNVBAGLBSA-N 1 0 378.267 2.350 20 0 GEADRO O=C(CCc1cc(F)ccc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000566188708 532601133 /nfs/dbraw/zinc/60/11/33/532601133.db2.gz FUDZWGXUIHZQIQ-HNNXBMFYSA-N 1 0 384.293 2.027 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])ccc1Br ZINC000262776619 532601261 /nfs/dbraw/zinc/60/12/61/532601261.db2.gz XOYFOBWPWMYBMR-GXFFZTMASA-N 1 0 377.304 2.348 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262792593 532601527 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GEADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCC(n3cc(Br)cn3)CC2)C1(C)C ZINC000262794103 532602933 /nfs/dbraw/zinc/60/29/33/532602933.db2.gz PBXISTMAKQDWHQ-YOEHRIQHSA-N 1 0 399.333 2.342 20 0 GEADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000262793682 532602945 /nfs/dbraw/zinc/60/29/45/532602945.db2.gz SHUFJQSUBWIXHB-CHWSQXEVSA-N 1 0 376.906 2.032 20 0 GEADRO CCOc1cc(C[NH2+]CCCN2CCCS2(=O)=O)cc(Cl)c1OC ZINC000596676506 532603021 /nfs/dbraw/zinc/60/30/21/532603021.db2.gz VJFXTZDBCXCWQZ-UHFFFAOYSA-N 1 0 376.906 2.263 20 0 GEADRO CSc1ccccc1S(=O)(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376239207 532603003 /nfs/dbraw/zinc/60/30/03/532603003.db2.gz JGXVIDNBTASOKK-HNNXBMFYSA-N 1 0 383.583 2.198 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1nc2ccc(Br)cn2n1 ZINC000655916209 532603522 /nfs/dbraw/zinc/60/35/22/532603522.db2.gz TTXJEMMDGWBQFT-CHWSQXEVSA-N 1 0 378.274 2.239 20 0 GEADRO [NH3+]C[C@H](NC(=O)N[C@H](CCO)c1ccccc1Br)C(F)(F)F ZINC000655923150 532604005 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O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1Cc1csc(Cl)n1 ZINC000298121539 532627648 /nfs/dbraw/zinc/62/76/48/532627648.db2.gz BTIBBIMSTXJXDP-QGZVFWFLSA-N 1 0 376.869 2.493 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)Nc1cc(Br)cnc1-n1cccn1 ZINC000566843972 532628675 /nfs/dbraw/zinc/62/86/75/532628675.db2.gz QKAQRRYZSADFTM-UHFFFAOYSA-N 1 0 379.262 2.151 20 0 GEADRO CC[NH2+]CCCNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000567223293 532646127 /nfs/dbraw/zinc/64/61/27/532646127.db2.gz KPYBJFQFNWNSTP-UHFFFAOYSA-N 1 0 396.329 2.271 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000284889579 532629605 /nfs/dbraw/zinc/62/96/05/532629605.db2.gz WGWXBFKKWMKILP-UHFFFAOYSA-N 1 0 385.306 2.411 20 0 GEADRO C[NH+](C)CCCN(C(=O)CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000298142227 532629992 /nfs/dbraw/zinc/62/99/92/532629992.db2.gz FBFSKMRETKKSAA-KRWDZBQOSA-N 1 0 386.945 2.240 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000376794800 532630497 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ZINC000656902378 532642612 /nfs/dbraw/zinc/64/26/12/532642612.db2.gz BUPDDOGMALPNJT-GFCCVEGCSA-N 1 0 376.320 2.387 20 0 GEADRO O=S1(=O)CCC[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567161895 532642620 /nfs/dbraw/zinc/64/26/20/532642620.db2.gz ZDHCXKQUZJBMDO-YPMHNXCESA-N 1 0 382.309 2.148 20 0 GEADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000475593694 532642911 /nfs/dbraw/zinc/64/29/11/532642911.db2.gz WUGKHHUBJPFSQK-ZDUSSCGKSA-N 1 0 382.452 2.378 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000476428142 532644362 /nfs/dbraw/zinc/64/43/62/532644362.db2.gz NQFMCWYAKMUQSZ-LBPRGKRZSA-N 1 0 381.933 2.168 20 0 GEADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000567231498 532645492 /nfs/dbraw/zinc/64/54/92/532645492.db2.gz BNJJABFRGYOGEU-SCRDCRAPSA-N 1 0 395.301 2.019 20 0 GEADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000656916071 532645664 /nfs/dbraw/zinc/64/56/64/532645664.db2.gz 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CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(OC(C)C)c1 ZINC000633010244 532657133 /nfs/dbraw/zinc/65/71/33/532657133.db2.gz KRRGPULASGOOIK-UONOGXRCSA-N 1 0 398.301 2.432 20 0 GEADRO CC(C)[C@H](CN(C)Cc1ccccc1)NCc1nnc(S(C)(=O)=O)s1 ZINC000285187703 532657380 /nfs/dbraw/zinc/65/73/80/532657380.db2.gz VXXGAXHZAGBAPA-HNNXBMFYSA-N 1 0 382.555 2.188 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000633032598 532657766 /nfs/dbraw/zinc/65/77/66/532657766.db2.gz KUIXXTNOONHCHE-BETUJISGSA-N 1 0 396.285 2.138 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000633023191 532658494 /nfs/dbraw/zinc/65/84/94/532658494.db2.gz KKASZHDBGMATEX-GHMZBOCLSA-N 1 0 378.885 2.455 20 0 GEADRO COC[C@@H](C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1)OC ZINC000660015073 532669123 /nfs/dbraw/zinc/66/91/23/532669123.db2.gz ZWAQHJHHOKSMQS-CQSZACIVSA-N 1 0 375.282 2.367 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000633034688 532658659 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OSBLUMBFJGKXDH-UHFFFAOYSA-N 1 0 377.432 2.407 20 0 GEADRO CNc1cc(I)ccc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000581892357 532757921 /nfs/dbraw/zinc/75/79/21/532757921.db2.gz JUDAKMIVRDQANI-UHFFFAOYSA-N 1 0 387.265 2.499 20 0 GEADRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000286642692 532759348 /nfs/dbraw/zinc/75/93/48/532759348.db2.gz DHVCQZQWMDKBEW-AAEUAGOBSA-N 1 0 393.285 2.261 20 0 GEADRO COC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000286639695 532759867 /nfs/dbraw/zinc/75/98/67/532759867.db2.gz TUCHTMDUCOPXMV-OAHLLOKOSA-N 1 0 378.778 2.384 20 0 GEADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C[C@@H](C)C1 ZINC000582611836 532760428 /nfs/dbraw/zinc/76/04/28/532760428.db2.gz KPZFPDDXWIVWLM-OBJOEFQTSA-N 1 0 382.302 2.281 20 0 GEADRO CC[C@H]1C[C@H](C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CCO1 ZINC000507809456 532760879 /nfs/dbraw/zinc/76/08/79/532760879.db2.gz FARZQFOIOFFFHD-HIFRSBDPSA-N 1 0 386.480 2.480 20 0 GEADRO 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396.329 2.399 20 0 GEADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000453817392 532777777 /nfs/dbraw/zinc/77/77/77/532777777.db2.gz KPMHBBTYUGSZHG-JTQLQIEISA-N 1 0 392.258 2.034 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(F)cc1Br ZINC000542761085 532778758 /nfs/dbraw/zinc/77/87/58/532778758.db2.gz QBBKOQZRJKYAND-UHFFFAOYSA-N 1 0 397.310 2.225 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000542078755 532763967 /nfs/dbraw/zinc/76/39/67/532763967.db2.gz BRDMFPZVOOEOJR-AWEZNQCLSA-N 1 0 398.345 2.142 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1Br ZINC000620967866 532765285 /nfs/dbraw/zinc/76/52/85/532765285.db2.gz WQJRECGIPAZQTN-LBPRGKRZSA-N 1 0 387.322 2.478 20 0 GEADRO C[C@@H](CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)n1cc(Br)cn1 ZINC000620979394 532765382 /nfs/dbraw/zinc/76/53/82/532765382.db2.gz FVWLEZRPANZTFV-ZFWWWQNUSA-N 1 0 387.322 2.166 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1Br ZINC000313844379 532779623 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C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000584531165 532769013 /nfs/dbraw/zinc/76/90/13/532769013.db2.gz WRUBJFRCAFQCNN-ZDMBXUJBSA-N 1 0 398.248 2.284 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cccc2nccn21)c1ccc(F)cc1Cl ZINC000509410531 532769011 /nfs/dbraw/zinc/76/90/11/532769011.db2.gz MQABBSNVYQJRDX-UHFFFAOYSA-N 1 0 382.848 2.195 20 0 GEADRO CNc1cc(I)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000411615459 532769761 /nfs/dbraw/zinc/76/97/61/532769761.db2.gz IHQQCCXQRLCWDX-LLVKDONJSA-N 1 0 385.249 2.299 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1Cn1cncn1 ZINC000268793540 532770071 /nfs/dbraw/zinc/77/00/71/532770071.db2.gz YZYPAACWUQOAGG-ZDUSSCGKSA-N 1 0 375.274 2.464 20 0 GEADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cn1 ZINC000302492149 532770413 /nfs/dbraw/zinc/77/04/13/532770413.db2.gz ZJKSRAKZRLFNAJ-QGZVFWFLSA-N 1 0 377.286 2.312 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000268815587 532770770 /nfs/dbraw/zinc/77/07/70/532770770.db2.gz MHENBOODNKOQDE-KRWDZBQOSA-N 1 0 396.329 2.417 20 0 GEADRO CCN(CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)S(C)(=O)=O ZINC000268827123 532771950 /nfs/dbraw/zinc/77/19/50/532771950.db2.gz ZFRPRLBYXKNZPU-LBPRGKRZSA-N 1 0 398.497 2.005 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)c1 ZINC000510450153 532773278 /nfs/dbraw/zinc/77/32/78/532773278.db2.gz SFUDLNWENBJHDV-AWEZNQCLSA-N 1 0 383.857 2.290 20 0 GEADRO C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)CN1CCOCC1 ZINC000268993200 532774045 /nfs/dbraw/zinc/77/40/45/532774045.db2.gz HKBQNRXIXCKGNN-ZIAGYGMSSA-N 1 0 376.469 2.302 20 0 GEADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2csc(C(=O)OC)c2)CC1 ZINC000411738588 532774198 /nfs/dbraw/zinc/77/41/98/532774198.db2.gz UOEWTCGRUABLGD-CYBMUJFWSA-N 1 0 388.555 2.417 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000302730627 532774269 /nfs/dbraw/zinc/77/42/69/532774269.db2.gz LVNGHDJPINLUBN-FZMZJTMJSA-N 1 0 377.432 2.273 20 0 GEADRO 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CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000330617634 532823146 /nfs/dbraw/zinc/82/31/46/532823146.db2.gz XEZOEXJQPUQALF-HUUCEWRRSA-N 1 0 391.331 2.278 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414381235 532823446 /nfs/dbraw/zinc/82/34/46/532823446.db2.gz MPULEBGLYHMMLU-IYBDPMFKSA-N 1 0 385.599 2.142 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(O)CCCCCC2)cc1Br ZINC000414396874 532824306 /nfs/dbraw/zinc/82/43/06/532824306.db2.gz SPDOXOPIIGCVTQ-UHFFFAOYSA-N 1 0 391.331 2.271 20 0 GEADRO C[C@H](CNC(=O)c1nc2ccc(Br)cn2n1)[N@@H+]1CCCC[C@@H]1C ZINC000414404464 532825092 /nfs/dbraw/zinc/82/50/92/532825092.db2.gz IEIQQKRUOZVJAO-NWDGAFQWSA-N 1 0 380.290 2.485 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cn2)[C@@H](C)C1 ZINC000288371751 532825406 /nfs/dbraw/zinc/82/54/06/532825406.db2.gz FBLSWAHEWXJUMB-AVGNSLFASA-N 1 0 385.306 2.002 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]CCCn2cc(Br)cn2)s1 ZINC000414442254 532827420 /nfs/dbraw/zinc/82/74/20/532827420.db2.gz LIZNYUPCUOZDDM-UHFFFAOYSA-N 1 0 378.317 2.291 20 0 GEADRO CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)[C@@H](C)C1 ZINC000288456240 532827968 /nfs/dbraw/zinc/82/79/68/532827968.db2.gz OAUJORXTGRIRFS-LBPRGKRZSA-N 1 0 378.274 2.196 20 0 GEADRO O=S1(=O)CCC(C[NH2+][C@H](CCO)c2ccccc2Br)CC1 ZINC000330849920 532828166 /nfs/dbraw/zinc/82/81/66/532828166.db2.gz ZYKQVTLUHKUNBS-OAHLLOKOSA-N 1 0 376.316 2.287 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CNC(=O)C1 ZINC000414490505 532830815 /nfs/dbraw/zinc/83/08/15/532830815.db2.gz XTVWOLHXOKEIHS-CYBMUJFWSA-N 1 0 377.286 2.477 20 0 GEADRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288484607 532829226 /nfs/dbraw/zinc/82/92/26/532829226.db2.gz ADXNGHPKDCUBDW-IINYFYTJSA-N 1 0 378.523 2.414 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330897889 532829306 /nfs/dbraw/zinc/82/93/06/532829306.db2.gz HYJYGZAIZXTFAA-SLEUVZQESA-N 1 0 382.302 2.166 20 0 GEADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000288516781 532829701 /nfs/dbraw/zinc/82/97/01/532829701.db2.gz HOVHHRWAHRUINR-GFCCVEGCSA-N 1 0 397.317 2.010 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c(Cl)cc1F ZINC000330997851 532831598 /nfs/dbraw/zinc/83/15/98/532831598.db2.gz MTMCVTKNEIWBBQ-MRXNPFEDSA-N 1 0 391.940 2.338 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(OC)c(O)c3Br)C2)CC1 ZINC000273699419 532831666 /nfs/dbraw/zinc/83/16/66/532831666.db2.gz CVEMBPQXECUJRS-HNNXBMFYSA-N 1 0 398.345 2.375 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)NCC1CC[NH+](C2CC2)CC1 ZINC000288587685 532832404 /nfs/dbraw/zinc/83/24/04/532832404.db2.gz SQMMGDAYBNCYCV-UHFFFAOYSA-N 1 0 384.322 2.209 20 0 GEADRO CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000288586583 532832776 /nfs/dbraw/zinc/83/27/76/532832776.db2.gz JAZWWNKECDLMSS-VIFPVBQESA-N 1 0 383.470 2.144 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000273727048 532832783 /nfs/dbraw/zinc/83/27/83/532832783.db2.gz QEPCQQCLXWORSJ-STQMWFEESA-N 1 0 393.481 2.192 20 0 GEADRO O[C@H](COc1cccc(Br)c1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331135992 532834225 /nfs/dbraw/zinc/83/42/25/532834225.db2.gz IGWSYKDVRVWBFI-LBPRGKRZSA-N 1 0 380.229 2.281 20 0 GEADRO CO[C@@H]1CCN(C(=O)Nc2ccccc2I)[C@H](C[NH3+])C1 ZINC000414662379 532834371 /nfs/dbraw/zinc/83/43/71/532834371.db2.gz PYWSJHPFMHAIQE-WDEREUQCSA-N 1 0 389.237 2.261 20 0 GEADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000288639674 532833367 /nfs/dbraw/zinc/83/33/67/532833367.db2.gz SQSFEMSHHMTVKU-PSASIEDQSA-N 1 0 375.782 2.406 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000331199632 532835886 /nfs/dbraw/zinc/83/58/86/532835886.db2.gz ZYCZTRRIMGJVEP-VXGBXAGGSA-N 1 0 398.301 2.385 20 0 GEADRO COc1cc(CNC[C@H]2C[NH2+]CCN2C)cc(Br)c1OC(F)F ZINC000414960501 532836043 /nfs/dbraw/zinc/83/60/43/532836043.db2.gz GYILWLLWINRVCC-LLVKDONJSA-N 1 0 394.260 2.052 20 0 GEADRO [NH3+]CC[C@@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)C(F)F ZINC000414983820 532836525 /nfs/dbraw/zinc/83/65/25/532836525.db2.gz CKQKOMPTEUBSBW-OAHLLOKOSA-N 1 0 377.863 2.123 20 0 GEADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccncc1Br ZINC000288727320 532836556 /nfs/dbraw/zinc/83/65/56/532836556.db2.gz MXOWVRJCKCSNJS-UHFFFAOYSA-N 1 0 393.285 2.500 20 0 GEADRO Oc1ccc(Br)c(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414993283 532836909 /nfs/dbraw/zinc/83/69/09/532836909.db2.gz UIQFGTGRKTZSDO-ZDUSSCGKSA-N 1 0 382.224 2.080 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@@H]1C[NH2+]CCN1C ZINC000414971180 532836940 /nfs/dbraw/zinc/83/69/40/532836940.db2.gz HUNMRZHKLHHZSL-KRWDZBQOSA-N 1 0 392.345 2.245 20 0 GEADRO CSC[C@H]1CCCN1C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414980193 532836948 /nfs/dbraw/zinc/83/69/48/532836948.db2.gz PIDWPNYTOQJPIM-CYBMUJFWSA-N 1 0 375.416 2.457 20 0 GEADRO Fc1ccc(I)c(F)c1CNC[C@H]1C[NH2+]CCCO1 ZINC000415033160 532836972 /nfs/dbraw/zinc/83/69/72/532836972.db2.gz GQEMRCLKZBCPIV-SECBINFHSA-N 1 0 382.192 2.038 20 0 GEADRO COc1ccc(Cl)c(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000415026500 532836985 /nfs/dbraw/zinc/83/69/85/532836985.db2.gz UAPNCUPCULJXNA-CYBMUJFWSA-N 1 0 380.798 2.306 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(OC)ccc2I)C1 ZINC000415080972 532837301 /nfs/dbraw/zinc/83/73/01/532837301.db2.gz ZNHRHCDHKJABBU-VIFPVBQESA-N 1 0 375.210 2.125 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(OC)ccc2I)C1 ZINC000415073990 532837305 /nfs/dbraw/zinc/83/73/05/532837305.db2.gz OCJSWKNELIZLFP-SNVBAGLBSA-N 1 0 389.237 2.373 20 0 GEADRO COc1ccc(I)c(NC(=O)NCC2=CC[NH2+]CC2)c1 ZINC000415068041 532837498 /nfs/dbraw/zinc/83/74/98/532837498.db2.gz DELRBEHXAGEBSU-UHFFFAOYSA-N 1 0 387.221 2.341 20 0 GEADRO COc1ccc(I)c(NC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415071576 532837531 /nfs/dbraw/zinc/83/75/31/532837531.db2.gz KOTDYSPICVNPDG-VIFPVBQESA-N 1 0 375.210 2.173 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)Nc1ccccc1Br ZINC000273950516 532837523 /nfs/dbraw/zinc/83/75/23/532837523.db2.gz HKFCOLVNQMCFIM-CYBMUJFWSA-N 1 0 395.301 2.314 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)CCCO1 ZINC000415164313 532838906 /nfs/dbraw/zinc/83/89/06/532838906.db2.gz PJMSFPCJGJFBQK-CYBMUJFWSA-N 1 0 394.273 2.216 20 0 GEADRO COc1cc(Br)c(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1O ZINC000415131009 532838974 /nfs/dbraw/zinc/83/89/74/532838974.db2.gz RRAAJOUWOXQUPN-ZDUSSCGKSA-N 1 0 396.289 2.051 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331427363 532839088 /nfs/dbraw/zinc/83/90/88/532839088.db2.gz ANBRTICVTMYLJW-MRXNPFEDSA-N 1 0 384.249 2.129 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000331420501 532839090 /nfs/dbraw/zinc/83/90/90/532839090.db2.gz ATZGKYUANUZYAL-BONVTDFDSA-N 1 0 389.315 2.219 20 0 GEADRO O=C(Nc1c(F)cc(Br)cc1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415213569 532839350 /nfs/dbraw/zinc/83/93/50/532839350.db2.gz NYQFGIYJBJDXCX-LLVKDONJSA-N 1 0 389.244 2.239 20 0 GEADRO C[NH+](C)CCCN(C(=O)[C@@H]1CCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000331427441 532839392 /nfs/dbraw/zinc/83/93/92/532839392.db2.gz IKQXQNNXRJGASZ-GDBMZVCRSA-N 1 0 384.567 2.135 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415237956 532839550 /nfs/dbraw/zinc/83/95/50/532839550.db2.gz KHZIOOJHUUXLPX-ZETCQYMHSA-N 1 0 381.164 2.395 20 0 GEADRO O=C(Nc1ccc(F)cc1I)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415250556 532839947 /nfs/dbraw/zinc/83/99/47/532839947.db2.gz LWVDSMYUJQXPHZ-PELKAZGASA-N 1 0 375.185 2.256 20 0 GEADRO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000072012980 212133963 /nfs/dbraw/zinc/13/39/63/212133963.db2.gz XKSYHKZLEOBCMM-OAQYLSRUSA-N 1 0 382.508 2.302 20 0 GEADRO CNC(=O)CCCN(C)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000359997877 212132350 /nfs/dbraw/zinc/13/23/50/212132350.db2.gz VMRLRSMLZSUMLF-HSALFYBXSA-N 1 0 386.540 2.455 20 0 GEADRO C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000359956815 212127535 /nfs/dbraw/zinc/12/75/35/212127535.db2.gz FQTNQMKRZMUONG-GOSISDBHSA-N 1 0 387.524 2.143 20 0 GEADRO CC(C)c1nnc(/C=C/C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000359957091 212127086 /nfs/dbraw/zinc/12/70/86/212127086.db2.gz GGUIZHFFOCDQBO-AATRIKPKSA-N 1 0 375.517 2.082 20 0 GEADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000359877876 212121659 /nfs/dbraw/zinc/12/16/59/212121659.db2.gz VZRRTXIQJBTZBQ-INIZCTEOSA-N 1 0 388.512 2.353 20 0 GEADRO CCOc1c(Cl)cc(C(=O)N2CCCN(CC[NH+](C)C)CC2)cc1OC ZINC000359933261 212124444 /nfs/dbraw/zinc/12/44/44/212124444.db2.gz FICVOYGCGLZMOH-UHFFFAOYSA-N 1 0 383.920 2.457 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000415253151 532840129 /nfs/dbraw/zinc/84/01/29/532840129.db2.gz ICVQYRWNFFLMDW-CQSZACIVSA-N 1 0 385.306 2.261 20 0 GEADRO CC[N@@H+]1CCC[C@@H](CN(C)[C@H](C)c2nc(COC)no2)[C@@H]1c1cnn(C)c1 ZINC000328627648 212086670 /nfs/dbraw/zinc/08/66/70/212086670.db2.gz GJZUHPVSWUFSGE-RVKKMQEKSA-N 1 0 376.505 2.416 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415284454 532840220 /nfs/dbraw/zinc/84/02/20/532840220.db2.gz POXIHUYFSLPIFZ-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO COCC[NH2+]CCNC(=O)Nc1ccc(Cl)cc1I ZINC000415284542 532840284 /nfs/dbraw/zinc/84/02/84/532840284.db2.gz PKDSBMNPXOHFFX-UHFFFAOYSA-N 1 0 397.644 2.302 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)C1 ZINC000415282584 532840364 /nfs/dbraw/zinc/84/03/64/532840364.db2.gz MWEXCFWUSQQNBS-CYBMUJFWSA-N 1 0 382.302 2.462 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000415284164 532840486 /nfs/dbraw/zinc/84/04/86/532840486.db2.gz PKLQFUIJTUKYRL-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415277659 532840527 /nfs/dbraw/zinc/84/05/27/532840527.db2.gz FLWBGEQABWHEMG-LLVKDONJSA-N 1 0 395.301 2.118 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415279104 532840557 /nfs/dbraw/zinc/84/05/57/532840557.db2.gz CJHPHJGHBJEONV-JTQLQIEISA-N 1 0 388.693 2.499 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000415299400 532840703 /nfs/dbraw/zinc/84/07/03/532840703.db2.gz MQLQINAEVQNGPU-JTQLQIEISA-N 1 0 394.191 2.227 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000415298167 532840771 /nfs/dbraw/zinc/84/07/71/532840771.db2.gz LAZHQFFTVIWVMF-SECBINFHSA-N 1 0 394.191 2.227 20 0 GEADRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415297778 532840992 /nfs/dbraw/zinc/84/09/92/532840992.db2.gz FLGPVXXJFYVINF-JTQLQIEISA-N 1 0 379.766 2.088 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCCC[N@H+]3CCCC[C@@H]3C)cnc2c1Cl ZINC000331559164 532841052 /nfs/dbraw/zinc/84/10/52/532841052.db2.gz JFVKZIBUOGNCNE-LBPRGKRZSA-N 1 0 385.921 2.234 20 0 GEADRO CS[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000331557817 532841092 /nfs/dbraw/zinc/84/10/92/532841092.db2.gz ODEFDYBDXGPPKR-LSDHHAIUSA-N 1 0 385.892 2.456 20 0 GEADRO CN(C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)C1CC[NH2+]CC1 ZINC000415317219 532841101 /nfs/dbraw/zinc/84/11/01/532841101.db2.gz CJLNMHTZBNWKOM-UHFFFAOYSA-N 1 0 375.803 2.133 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)n1 ZINC000415314708 532841070 /nfs/dbraw/zinc/84/10/70/532841070.db2.gz KJILQQQQCPFWHZ-ZDUSSCGKSA-N 1 0 376.507 2.409 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)C1CC[NH2+]CC1 ZINC000415318234 532841130 /nfs/dbraw/zinc/84/11/30/532841130.db2.gz FYNPULPURIGDGL-UHFFFAOYSA-N 1 0 375.416 2.332 20 0 GEADRO O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415313004 532841170 /nfs/dbraw/zinc/84/11/70/532841170.db2.gz HKPRKXINFBRYEV-SECBINFHSA-N 1 0 394.191 2.275 20 0 GEADRO COC(=O)COc1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000415305220 532841213 /nfs/dbraw/zinc/84/12/13/532841213.db2.gz IRNSMBBYEKUVHU-GFCCVEGCSA-N 1 0 377.775 2.011 20 0 GEADRO CCOC(=O)c1c(NC(=O)NCC[NH2+]CCOC)sc2c1CCCS2 ZINC000415323456 532841513 /nfs/dbraw/zinc/84/15/13/532841513.db2.gz CWRCBFMVCFMDEX-UHFFFAOYSA-N 1 0 387.527 2.321 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415339315 532842054 /nfs/dbraw/zinc/84/20/54/532842054.db2.gz BPZCAPHEONMMBU-QMMMGPOBSA-N 1 0 394.191 2.227 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1Br ZINC000415349546 532842273 /nfs/dbraw/zinc/84/22/73/532842273.db2.gz GPBFUNRXAGNMHI-MNOVXSKESA-N 1 0 386.265 2.339 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000331681884 532842263 /nfs/dbraw/zinc/84/22/63/532842263.db2.gz TZYSPUOVDJIGFV-GOEBONIOSA-N 1 0 382.302 2.456 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1Br ZINC000415349548 532842333 /nfs/dbraw/zinc/84/23/33/532842333.db2.gz GPBFUNRXAGNMHI-WDEREUQCSA-N 1 0 386.265 2.339 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000415342494 532842349 /nfs/dbraw/zinc/84/23/49/532842349.db2.gz JKFGCJOBHIEJFF-VIFPVBQESA-N 1 0 379.766 2.040 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415349494 532842441 /nfs/dbraw/zinc/84/24/41/532842441.db2.gz XNIFDFTWMOXPFP-MRVPVSSYSA-N 1 0 394.191 2.227 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000415351679 532842452 /nfs/dbraw/zinc/84/24/52/532842452.db2.gz IJMQUNYAISNOSD-MRVPVSSYSA-N 1 0 394.191 2.214 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415354519 532842600 /nfs/dbraw/zinc/84/26/00/532842600.db2.gz BXCBEVXTDWXNRL-JTQLQIEISA-N 1 0 384.267 2.030 20 0 GEADRO CC(C)N(C)C(=O)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000288953102 532842628 /nfs/dbraw/zinc/84/26/28/532842628.db2.gz XJJHWMBKSXCWFL-UHFFFAOYSA-N 1 0 396.329 2.397 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCn2cc(Br)cn2)C1 ZINC000288941016 532842637 /nfs/dbraw/zinc/84/26/37/532842637.db2.gz ZZMIKGDIXZFASD-AWEZNQCLSA-N 1 0 386.338 2.409 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(C)c1Br ZINC000274159706 532842685 /nfs/dbraw/zinc/84/26/85/532842685.db2.gz GHHFUNRQOURARX-WFASDCNBSA-N 1 0 377.286 2.433 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c(C)c2)n1 ZINC000415372457 532843072 /nfs/dbraw/zinc/84/30/72/532843072.db2.gz RJQAZCZTQVMPCN-LBPRGKRZSA-N 1 0 376.507 2.409 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415364758 532843180 /nfs/dbraw/zinc/84/31/80/532843180.db2.gz SONLNEYWEYWWPS-ZDUSSCGKSA-N 1 0 391.269 2.146 20 0 GEADRO CSc1ccc(Cl)cc1NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000288973651 532843401 /nfs/dbraw/zinc/84/34/01/532843401.db2.gz XEGPUGZAGOZYNJ-UHFFFAOYSA-N 1 0 386.949 2.000 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000288963443 532843342 /nfs/dbraw/zinc/84/33/42/532843342.db2.gz PYFXKTOFEYFRJG-IUODEOHRSA-N 1 0 394.313 2.149 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000415394491 532843815 /nfs/dbraw/zinc/84/38/15/532843815.db2.gz QSIBGRJTPJGVFH-LLVKDONJSA-N 1 0 375.803 2.480 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000415398839 532843920 /nfs/dbraw/zinc/84/39/20/532843920.db2.gz LLYANSRQKLKBAG-UHFFFAOYSA-N 1 0 382.302 2.462 20 0 GEADRO CCCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1OC)[C@@H]1CC[NH2+]C1 ZINC000415400428 532843958 /nfs/dbraw/zinc/84/39/58/532843958.db2.gz ZNNBBIPRXDOVGX-CYBMUJFWSA-N 1 0 398.301 2.305 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000415392050 532844073 /nfs/dbraw/zinc/84/40/73/532844073.db2.gz IPNASNXHJNFJSE-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1OC)[C@@H]1CC[NH2+]C1 ZINC000415392735 532844159 /nfs/dbraw/zinc/84/41/59/532844159.db2.gz OERLGWHTBVGOOW-GFCCVEGCSA-N 1 0 398.301 2.305 20 0 GEADRO CCCCSCCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274213228 532844251 /nfs/dbraw/zinc/84/42/51/532844251.db2.gz IQNYKHAFFLEUHH-UHFFFAOYSA-N 1 0 387.571 2.388 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000415405843 532844266 /nfs/dbraw/zinc/84/42/66/532844266.db2.gz WPRDBXMOIWKOIM-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415403627 532844297 /nfs/dbraw/zinc/84/42/97/532844297.db2.gz ABYWENYQCMAWKR-SECBINFHSA-N 1 0 390.228 2.172 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c(F)cc1Br ZINC000415405141 532844316 /nfs/dbraw/zinc/84/43/16/532844316.db2.gz BTKSIFWLHIAUPQ-LLVKDONJSA-N 1 0 386.265 2.341 20 0 GEADRO COC(=O)c1cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)ccc1Br ZINC000415405174 532844600 /nfs/dbraw/zinc/84/46/00/532844600.db2.gz MVCWKKOIMSWITE-JTQLQIEISA-N 1 0 380.189 2.340 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415404948 532844631 /nfs/dbraw/zinc/84/46/31/532844631.db2.gz LYMYNDTXHKJKOR-VIFPVBQESA-N 1 0 390.228 2.172 20 0 GEADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1)C1CCCCC1 ZINC000415429122 532844825 /nfs/dbraw/zinc/84/48/25/532844825.db2.gz QZQIXHWMYAWPKH-NSHDSACASA-N 1 0 378.420 2.210 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000415426928 532845031 /nfs/dbraw/zinc/84/50/31/532845031.db2.gz BDVCKXZIVQVEBT-HQJQHLMTSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415432515 532845286 /nfs/dbraw/zinc/84/52/86/532845286.db2.gz FVEBXOZGRYBTFL-BDAKNGLRSA-N 1 0 390.228 2.252 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000331842922 532845510 /nfs/dbraw/zinc/84/55/10/532845510.db2.gz BBDBGUQKYGINHU-OAHLLOKOSA-N 1 0 380.286 2.062 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(F)cc1Br ZINC000415435961 532845551 /nfs/dbraw/zinc/84/55/51/532845551.db2.gz JCGRPPUTLUPEBZ-MNOVXSKESA-N 1 0 386.265 2.421 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415434195 532845616 /nfs/dbraw/zinc/84/56/16/532845616.db2.gz HKFKBRORTXBCMV-GHMZBOCLSA-N 1 0 386.265 2.421 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC[C@H]1[NH3+] ZINC000415440793 532845650 /nfs/dbraw/zinc/84/56/50/532845650.db2.gz FLBJTONIFDFOFX-GXFFZTMASA-N 1 0 391.269 2.132 20 0 GEADRO C[C@H](CNC(=O)c1nc2ccc(Br)cn2n1)[NH+]1CCC(C)CC1 ZINC000331867795 532845768 /nfs/dbraw/zinc/84/57/68/532845768.db2.gz CFBNEIDCWBHJOO-GFCCVEGCSA-N 1 0 380.290 2.342 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415451365 532845826 /nfs/dbraw/zinc/84/58/26/532845826.db2.gz SQZBNOHGYPVMQS-BDAKNGLRSA-N 1 0 390.228 2.252 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415444108 532845924 /nfs/dbraw/zinc/84/59/24/532845924.db2.gz RHKYZCPONFSVJG-QWRGUYRKSA-N 1 0 386.265 2.421 20 0 GEADRO CC1(CNC(=O)N2CCC(n3cc(Br)cn3)CC2)CC[NH2+]CC1 ZINC000331879458 532846154 /nfs/dbraw/zinc/84/61/54/532846154.db2.gz IGYUEIZDFCNRQZ-UHFFFAOYSA-N 1 0 384.322 2.382 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415443365 532846045 /nfs/dbraw/zinc/84/60/45/532846045.db2.gz FOJYTPGFBBBQMQ-GFCCVEGCSA-N 1 0 379.258 2.035 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415449239 532846087 /nfs/dbraw/zinc/84/60/87/532846087.db2.gz VNLJOZVLFAOGJF-JTQLQIEISA-N 1 0 380.645 2.280 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1Br ZINC000415461331 532846351 /nfs/dbraw/zinc/84/63/51/532846351.db2.gz CHUKSUBDDMYOOP-UHFFFAOYSA-N 1 0 395.301 2.082 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000415493891 532847306 /nfs/dbraw/zinc/84/73/06/532847306.db2.gz DFLATCACSJARSN-ZDUSSCGKSA-N 1 0 386.290 2.228 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415491107 532847341 /nfs/dbraw/zinc/84/73/41/532847341.db2.gz YYTSDYYDCZWWSA-UHFFFAOYSA-N 1 0 386.290 2.148 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC ZINC000415493083 532847505 /nfs/dbraw/zinc/84/75/05/532847505.db2.gz GCKWJAIHRGHNJS-VIFPVBQESA-N 1 0 390.267 2.352 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415487737 532847551 /nfs/dbraw/zinc/84/75/51/532847551.db2.gz SBIIJYOALCHPSC-NEPJUHHUSA-N 1 0 379.262 2.421 20 0 GEADRO COCCOCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000289120129 532848136 /nfs/dbraw/zinc/84/81/36/532848136.db2.gz WVWWUQQNGMKVGK-AWEZNQCLSA-N 1 0 387.318 2.391 20 0 GEADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415497107 532847753 /nfs/dbraw/zinc/84/77/53/532847753.db2.gz YZIPEWUXULOOGP-GFCCVEGCSA-N 1 0 392.244 2.498 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OCC)c(Br)c1 ZINC000415503018 532847755 /nfs/dbraw/zinc/84/77/55/532847755.db2.gz UGJUVFOFCJUZRE-LBPRGKRZSA-N 1 0 386.290 2.420 20 0 GEADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)NC1CC[NH2+]CC1 ZINC000415499800 532847939 /nfs/dbraw/zinc/84/79/39/532847939.db2.gz LLJXGHAHUKVINJ-UHFFFAOYSA-N 1 0 382.287 2.841 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415513834 532848347 /nfs/dbraw/zinc/84/83/47/532848347.db2.gz BEAPCFKQBOXORX-RYUDHWBXSA-N 1 0 398.301 2.371 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000415521480 532848385 /nfs/dbraw/zinc/84/83/85/532848385.db2.gz TYKLZMSUZQCHQV-UHFFFAOYSA-N 1 0 386.290 2.291 20 0 GEADRO O=C(Nc1nc2ccc(I)cc2s1)N[C@@H]1CC[NH2+]C1 ZINC000415531647 532848942 /nfs/dbraw/zinc/84/89/42/532848942.db2.gz XCMOSKYTJVJRHX-MRVPVSSYSA-N 1 0 388.234 2.384 20 0 GEADRO COc1cc(OC)c(NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Br ZINC000415532570 532849000 /nfs/dbraw/zinc/84/90/00/532849000.db2.gz ZJIOPEYOWMKYKE-JTQLQIEISA-N 1 0 388.262 2.048 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415526390 532848840 /nfs/dbraw/zinc/84/88/40/532848840.db2.gz GVSWHDWJTBRTAG-LURJTMIESA-N 1 0 376.223 2.370 20 0 GEADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415525149 532848878 /nfs/dbraw/zinc/84/88/78/532848878.db2.gz OZONEUPTBRINHD-SFYZADRCSA-N 1 0 392.656 2.376 20 0 GEADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415546253 532849464 /nfs/dbraw/zinc/84/94/64/532849464.db2.gz ABZHVHXJRRWOBQ-UHFFFAOYSA-N 1 0 384.249 2.129 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415535376 532849516 /nfs/dbraw/zinc/84/95/16/532849516.db2.gz DGOHOFMKYUNAOV-VHSXEESVSA-N 1 0 375.803 2.118 20 0 GEADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415546258 532849519 /nfs/dbraw/zinc/84/95/19/532849519.db2.gz AGVHFVLTFOBIBA-UHFFFAOYSA-N 1 0 376.507 2.412 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000332182377 532849629 /nfs/dbraw/zinc/84/96/29/532849629.db2.gz DXTHYRIOXXZPET-UHFFFAOYSA-N 1 0 380.290 2.486 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N(C)CC[NH2+]C ZINC000415549621 532849757 /nfs/dbraw/zinc/84/97/57/532849757.db2.gz UCMZJZPLAYYGSP-UHFFFAOYSA-N 1 0 392.681 2.118 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[NH2+]CC1 ZINC000415557500 532849965 /nfs/dbraw/zinc/84/99/65/532849965.db2.gz IIWVPYUEUZVDDC-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)CCC1 ZINC000415554200 532850016 /nfs/dbraw/zinc/85/00/16/532850016.db2.gz CTVABNJNUFCEJY-UHFFFAOYSA-N 1 0 394.191 2.404 20 0 GEADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)C[NH3+] ZINC000274424686 532850077 /nfs/dbraw/zinc/85/00/77/532850077.db2.gz MFXIGQVNOMAIEX-NOZJJQNGSA-N 1 0 378.325 2.308 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415564808 532850242 /nfs/dbraw/zinc/85/02/42/532850242.db2.gz OIJKJVAANFKIMH-VHSXEESVSA-N 1 0 375.803 2.131 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)[C@H](C)C[NH2+]1 ZINC000415571265 532850474 /nfs/dbraw/zinc/85/04/74/532850474.db2.gz RGVICGUMYIEQIG-GHMZBOCLSA-N 1 0 391.269 2.145 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415568149 532850557 /nfs/dbraw/zinc/85/05/57/532850557.db2.gz KDXQLKWZEHSRCC-MNOVXSKESA-N 1 0 391.269 2.132 20 0 GEADRO C[C@H](C[NH3+])NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000274463413 532850760 /nfs/dbraw/zinc/85/07/60/532850760.db2.gz VSPCCHWPYWDOLV-YGRLFVJLSA-N 1 0 386.265 2.046 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415580411 532850762 /nfs/dbraw/zinc/85/07/62/532850762.db2.gz RDARPOYDOUBBGK-GHMZBOCLSA-N 1 0 391.269 2.132 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC000415577011 532850797 /nfs/dbraw/zinc/85/07/97/532850797.db2.gz XDDPNXSVPJDWIQ-KRWDZBQOSA-N 1 0 398.301 2.292 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[NH2+]CC1 ZINC000415570524 532850307 /nfs/dbraw/zinc/85/03/07/532850307.db2.gz LYAFBCRVIJGGIU-UHFFFAOYSA-N 1 0 375.803 2.386 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415570906 532850314 /nfs/dbraw/zinc/85/03/14/532850314.db2.gz MMUKSVBGCDZCQI-UHFFFAOYSA-N 1 0 398.301 2.211 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415561109 532850319 /nfs/dbraw/zinc/85/03/19/532850319.db2.gz GGALLICZNSCSNY-VXGBXAGGSA-N 1 0 398.301 2.371 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000274482123 532851046 /nfs/dbraw/zinc/85/10/46/532851046.db2.gz FMGFMBATXHBTCZ-UHFFFAOYSA-N 1 0 384.249 2.213 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415575798 532851064 /nfs/dbraw/zinc/85/10/64/532851064.db2.gz VDOQXVNPMHVMGJ-UHFFFAOYSA-N 1 0 386.265 2.341 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415573748 532851086 /nfs/dbraw/zinc/85/10/86/532851086.db2.gz ODNBDDWVRDIVPX-ZYHUDNBSSA-N 1 0 391.269 2.132 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC[NH2+]C1 ZINC000415578282 532850818 /nfs/dbraw/zinc/85/08/18/532850818.db2.gz ZPRHWQAFEQDORZ-MRXNPFEDSA-N 1 0 375.803 2.386 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)[C@@H](C)C[NH2+]1 ZINC000415577829 532850897 /nfs/dbraw/zinc/85/08/97/532850897.db2.gz ZFWSDQAVJHIVHC-BDAKNGLRSA-N 1 0 379.766 2.386 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415617373 532851363 /nfs/dbraw/zinc/85/13/63/532851363.db2.gz FITHFACXFMPYFX-YGRLFVJLSA-N 1 0 391.269 2.050 20 0 GEADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332283576 532851337 /nfs/dbraw/zinc/85/13/37/532851337.db2.gz IKFAMKFOJRNXSB-UWVGGRQHSA-N 1 0 386.677 2.109 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415633214 532851611 /nfs/dbraw/zinc/85/16/11/532851611.db2.gz PXXBLRZWINXYQG-VIFPVBQESA-N 1 0 398.179 2.458 20 0 GEADRO O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)N1CC[NH2+]CC1 ZINC000415643078 532851668 /nfs/dbraw/zinc/85/16/68/532851668.db2.gz WLQDNAJGZAKZMA-UHFFFAOYSA-N 1 0 381.274 2.122 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1Br ZINC000415617250 532851411 /nfs/dbraw/zinc/85/14/11/532851411.db2.gz VGCJDNSSMOHIQX-PWSUYJOCSA-N 1 0 382.258 2.451 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1Br ZINC000415617245 532851480 /nfs/dbraw/zinc/85/14/80/532851480.db2.gz VGCJDNSSMOHIQX-CMPLNLGQSA-N 1 0 382.258 2.451 20 0 GEADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000274543675 532851808 /nfs/dbraw/zinc/85/18/08/532851808.db2.gz WIZAIKJWZUJLHK-ZDUSSCGKSA-N 1 0 387.933 2.193 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415640906 532851877 /nfs/dbraw/zinc/85/18/77/532851877.db2.gz WTGZFWSJDLNYRC-VIFPVBQESA-N 1 0 384.303 2.945 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000415642537 532851890 /nfs/dbraw/zinc/85/18/90/532851890.db2.gz HRPNDXPHNGJVKI-WDEREUQCSA-N 1 0 384.274 2.172 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000415639756 532851919 /nfs/dbraw/zinc/85/19/19/532851919.db2.gz QHQHGCYMHAXWJV-HNNXBMFYSA-N 1 0 379.262 2.232 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415648748 532852184 /nfs/dbraw/zinc/85/21/84/532852184.db2.gz PBMWZTLLFMWJNH-VHSXEESVSA-N 1 0 375.803 2.309 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)C[C@@H]21 ZINC000332347260 532852169 /nfs/dbraw/zinc/85/21/69/532852169.db2.gz OBJMRPDIAODFOX-XHVZSJERSA-N 1 0 384.249 2.113 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[NH2+]1 ZINC000415664809 532852519 /nfs/dbraw/zinc/85/25/19/532852519.db2.gz TXKDYIVBTIUSMR-PSASIEDQSA-N 1 0 379.766 2.434 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415664993 532852665 /nfs/dbraw/zinc/85/26/65/532852665.db2.gz ZMXSZYXWXFVIPF-SFYZADRCSA-N 1 0 376.201 2.052 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332348370 532852452 /nfs/dbraw/zinc/85/24/52/532852452.db2.gz UEKWDLLEFRSXCM-ZJUUUORDSA-N 1 0 386.677 2.109 20 0 GEADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332369658 532853143 /nfs/dbraw/zinc/85/31/43/532853143.db2.gz YRLRBBLWXVMRMN-NXEZZACHSA-N 1 0 386.677 2.109 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332369581 532853368 /nfs/dbraw/zinc/85/33/68/532853368.db2.gz YPYQKRNJRBUVBX-VHSXEESVSA-N 1 0 386.677 2.109 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415691443 532853586 /nfs/dbraw/zinc/85/35/86/532853586.db2.gz NAXDOYBNDKYNNL-INIZCTEOSA-N 1 0 375.803 2.120 20 0 GEADRO CC1(C)CC(NC(=O)Nc2nc3cc(Br)ccn3n2)CC(C)(C)[NH2+]1 ZINC000332370919 532853222 /nfs/dbraw/zinc/85/32/22/532853222.db2.gz SILPFIWRGSXEFQ-UHFFFAOYSA-N 1 0 395.305 2.923 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000415680122 532853763 /nfs/dbraw/zinc/85/37/63/532853763.db2.gz QPXZGLWREZFWSG-NSHDSACASA-N 1 0 398.276 2.065 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415682917 532853765 /nfs/dbraw/zinc/85/37/65/532853765.db2.gz YSFAFDFIQUAHQE-CQSZACIVSA-N 1 0 398.301 2.291 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415738265 532854911 /nfs/dbraw/zinc/85/49/11/532854911.db2.gz FCPJENMHCLTXCG-QMMMGPOBSA-N 1 0 378.217 2.300 20 0 GEADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415733196 532854929 /nfs/dbraw/zinc/85/49/29/532854929.db2.gz AYBDFVVAMWINPX-NXEZZACHSA-N 1 0 375.778 2.365 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(OC)c(Br)cc2C(=O)OC)C1 ZINC000415735392 532854946 /nfs/dbraw/zinc/85/49/46/532854946.db2.gz YWBXOGNATYPDMZ-SECBINFHSA-N 1 0 386.246 2.070 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000415726773 532855157 /nfs/dbraw/zinc/85/51/57/532855157.db2.gz OYAOSTCOOXCOKQ-XYPYZODXSA-N 1 0 386.265 2.408 20 0 GEADRO C[C@H]1CN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C[NH2+]1 ZINC000332466047 532855497 /nfs/dbraw/zinc/85/54/97/532855497.db2.gz QOOFJTILWAUCQK-QWRGUYRKSA-N 1 0 384.274 2.112 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415761682 532856051 /nfs/dbraw/zinc/85/60/51/532856051.db2.gz ULRUVFMUAUMFIB-NEPJUHHUSA-N 1 0 378.274 2.836 20 0 GEADRO COc1cc(I)ccc1NC(=O)N1CCC([NH3+])CC1 ZINC000415768749 532856457 /nfs/dbraw/zinc/85/64/57/532856457.db2.gz CNGNRWNFRXBCPB-UHFFFAOYSA-N 1 0 375.210 2.255 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[C@@H]1[NH3+] ZINC000415763526 532856461 /nfs/dbraw/zinc/85/64/61/532856461.db2.gz XWLAOCFXTNZKGK-RISCZKNCSA-N 1 0 378.274 2.836 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415767594 532856511 /nfs/dbraw/zinc/85/65/11/532856511.db2.gz YXLASYMQHBFTGG-LBPRGKRZSA-N 1 0 397.317 2.231 20 0 GEADRO COc1cc(I)ccc1NC(=O)NC1CC[NH2+]CC1 ZINC000415770035 532856811 /nfs/dbraw/zinc/85/68/11/532856811.db2.gz FVIOHDFJFUNJRS-UHFFFAOYSA-N 1 0 375.210 2.173 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C(F)F ZINC000415780493 532856869 /nfs/dbraw/zinc/85/68/69/532856869.db2.gz BNBLLGZBFXOANS-VIFPVBQESA-N 1 0 384.608 2.140 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000415780698 532857335 /nfs/dbraw/zinc/85/73/35/532857335.db2.gz DJHOSEINRKMNHU-ZDUSSCGKSA-N 1 0 398.305 2.004 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415785753 532857392 /nfs/dbraw/zinc/85/73/92/532857392.db2.gz ISQOOXWVINZOGV-NSHDSACASA-N 1 0 378.217 2.049 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000415781486 532857478 /nfs/dbraw/zinc/85/74/78/532857478.db2.gz FJYNJELJEPHNMD-MRVPVSSYSA-N 1 0 382.180 2.260 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000415775633 532857073 /nfs/dbraw/zinc/85/70/73/532857073.db2.gz ACRANWHWWYYIKT-BQBZGAKWSA-N 1 0 382.180 2.258 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)CCc2nc3cc(Br)ccc3s2)CCO1 ZINC000274840976 532857701 /nfs/dbraw/zinc/85/77/01/532857701.db2.gz WSBXZEIHKIHIED-NSHDSACASA-N 1 0 384.299 2.178 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415794931 532857745 /nfs/dbraw/zinc/85/77/45/532857745.db2.gz XXZYAXISXYRKOD-SNVBAGLBSA-N 1 0 379.258 2.179 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415794929 532857873 /nfs/dbraw/zinc/85/78/73/532857873.db2.gz XXZYAXISXYRKOD-JTQLQIEISA-N 1 0 379.258 2.179 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415801331 532857881 /nfs/dbraw/zinc/85/78/81/532857881.db2.gz FEHDLHWGWRBESO-QWRGUYRKSA-N 1 0 386.265 2.469 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)c1Br ZINC000415799970 532857949 /nfs/dbraw/zinc/85/79/49/532857949.db2.gz DEZYOERFQPCXBM-NSHDSACASA-N 1 0 386.265 2.484 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415790971 532857619 /nfs/dbraw/zinc/85/76/19/532857619.db2.gz QDAKTJRVQAGJMR-UHFFFAOYSA-N 1 0 384.274 2.123 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)nc1 ZINC000289531963 532858042 /nfs/dbraw/zinc/85/80/42/532858042.db2.gz AFONCCVUEOXDMD-QWRGUYRKSA-N 1 0 378.274 2.053 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415804304 532858303 /nfs/dbraw/zinc/85/83/03/532858303.db2.gz LIZNBYMSMFBTMZ-SECBINFHSA-N 1 0 390.228 2.314 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1F ZINC000415803745 532858370 /nfs/dbraw/zinc/85/83/70/532858370.db2.gz HLKNVNLNBDQAEQ-MNOVXSKESA-N 1 0 386.265 2.469 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c(F)cc1Br ZINC000415821345 532858693 /nfs/dbraw/zinc/85/86/93/532858693.db2.gz GPVAQBWNGXIKRA-CQSZACIVSA-N 1 0 386.265 2.469 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415825654 532858712 /nfs/dbraw/zinc/85/87/12/532858712.db2.gz YPLPUKVTPWOOMK-VXGBXAGGSA-N 1 0 398.276 2.375 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)C1CCCC1 ZINC000415822167 532858745 /nfs/dbraw/zinc/85/87/45/532858745.db2.gz KOTYTXWEMKMRDJ-CQSZACIVSA-N 1 0 398.276 2.111 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415820524 532858838 /nfs/dbraw/zinc/85/88/38/532858838.db2.gz ZZYDMNPAZJCVHU-SCZZXKLOSA-N 1 0 390.228 2.300 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[C@@H]1[NH3+] ZINC000332614201 532858493 /nfs/dbraw/zinc/85/84/93/532858493.db2.gz AYDMRGVCOYDTAX-INWMFGNUSA-N 1 0 381.318 2.407 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CC1 ZINC000332621979 532858641 /nfs/dbraw/zinc/85/86/41/532858641.db2.gz SRXCJNZMLQTHAT-LLVKDONJSA-N 1 0 384.307 2.464 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415829694 532859364 /nfs/dbraw/zinc/85/93/64/532859364.db2.gz HQJJIZCAZXQGRS-ZJUUUORDSA-N 1 0 375.803 2.166 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415818024 532858980 /nfs/dbraw/zinc/85/89/80/532858980.db2.gz VURKRQIRGLMTKJ-BDAKNGLRSA-N 1 0 390.228 2.300 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C(F)(F)F ZINC000415826983 532859192 /nfs/dbraw/zinc/85/91/92/532859192.db2.gz BDQVUYCUXPCHHI-SECBINFHSA-N 1 0 389.708 2.276 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415834539 532859202 /nfs/dbraw/zinc/85/92/02/532859202.db2.gz APFQOZWRDVOLHI-NEPJUHHUSA-N 1 0 398.301 2.230 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415826805 532859295 /nfs/dbraw/zinc/85/92/95/532859295.db2.gz CBXJLCBQIVRFFX-MFKMUULPSA-N 1 0 391.269 2.179 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415842291 532859731 /nfs/dbraw/zinc/85/97/31/532859731.db2.gz HMAPSTDTULSXAZ-CMPLNLGQSA-N 1 0 398.301 2.148 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(F)cc1Br ZINC000415842715 532860074 /nfs/dbraw/zinc/86/00/74/532860074.db2.gz QENBLZDXGDXVFU-QLJPJBMISA-N 1 0 386.265 2.278 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000415854695 532860617 /nfs/dbraw/zinc/86/06/17/532860617.db2.gz XBRGAUTWRWJOOC-RKDXNWHRSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000332694714 532860634 /nfs/dbraw/zinc/86/06/34/532860634.db2.gz VRINNWMXEHVHGT-XPKDYRNWSA-N 1 0 394.313 2.401 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C[C@@H]1C[NH3+] ZINC000415855075 532860655 /nfs/dbraw/zinc/86/06/55/532860655.db2.gz XTEBTGHRQFPIRS-BDAKNGLRSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C[C@H]1C[NH3+] ZINC000415855093 532860656 /nfs/dbraw/zinc/86/06/56/532860656.db2.gz XVQMLJGAPGSXAC-SMDDNHRTSA-N 1 0 394.313 2.320 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000415853969 532860763 /nfs/dbraw/zinc/86/07/63/532860763.db2.gz VNISUCLBSXSAFZ-UWVGGRQHSA-N 1 0 375.803 2.323 20 0 GEADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415871530 532861522 /nfs/dbraw/zinc/86/15/22/532861522.db2.gz PATIRLIMXNOJHF-HBNTYKKESA-N 1 0 384.249 2.031 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000289644530 532861573 /nfs/dbraw/zinc/86/15/73/532861573.db2.gz HGNCWWIYPZFNAX-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415872070 532861693 /nfs/dbraw/zinc/86/16/93/532861693.db2.gz QHDOBLYWGOSVPQ-HBNTYKKESA-N 1 0 384.249 2.031 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415882521 532862078 /nfs/dbraw/zinc/86/20/78/532862078.db2.gz WQFWMSVQHOVOSD-IJLUTSLNSA-N 1 0 398.276 2.339 20 0 GEADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3CCc4cc(Br)ccc4C3)CC2)N1 ZINC000289667935 532862767 /nfs/dbraw/zinc/86/27/67/532862767.db2.gz NKRAXXDURKOPCM-SWKXRBFHSA-N 1 0 392.297 2.417 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C(F)(F)F ZINC000415995285 532862516 /nfs/dbraw/zinc/86/25/16/532862516.db2.gz MVITZCUYRPBOFK-SNVBAGLBSA-N 1 0 394.195 2.176 20 0 GEADRO C[C@](CO)(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc(Br)cc1 ZINC000416049796 532863782 /nfs/dbraw/zinc/86/37/82/532863782.db2.gz RGQYMGRMRKKMNG-DGCLKSJQSA-N 1 0 398.223 2.236 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)NCCN1CCc2c(Cl)cccc2C1)C(F)(F)F ZINC000416032407 532863606 /nfs/dbraw/zinc/86/36/06/532863606.db2.gz QAYLGHHDGCALTK-CQSZACIVSA-N 1 0 378.826 2.277 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CCCO1 ZINC000333130781 532864231 /nfs/dbraw/zinc/86/42/31/532864231.db2.gz HVSKEUQRNNTGLV-AWEZNQCLSA-N 1 0 384.933 2.475 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289757959 532864587 /nfs/dbraw/zinc/86/45/87/532864587.db2.gz MWZPYAVHAMSMRZ-NWDGAFQWSA-N 1 0 376.507 2.067 20 0 GEADRO C[C@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[C@@H]1[NH3+] ZINC000333287694 532866676 /nfs/dbraw/zinc/86/66/76/532866676.db2.gz IRGOAHMOSKBYKF-JQWIXIFHSA-N 1 0 379.262 2.231 20 0 GEADRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000289879539 532867112 /nfs/dbraw/zinc/86/71/12/532867112.db2.gz WBPJRJUEOBBMCM-SJKOYZFVSA-N 1 0 396.285 2.410 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289889786 532866861 /nfs/dbraw/zinc/86/68/61/532866861.db2.gz MHOYGKNRDSPJOL-HNNXBMFYSA-N 1 0 384.318 2.083 20 0 GEADRO Cc1nc2ccc(Br)cn2c1-c1nc([C@H]2CN3CCN2CC3)no1 ZINC000289922416 532867515 /nfs/dbraw/zinc/86/75/15/532867515.db2.gz XRLKQGVDMWBWIF-GFCCVEGCSA-N 1 0 389.257 2.128 20 0 GEADRO Cc1cc(C(C)(C)[NH2+]CC(=O)NCC(=O)N2CCCC2)ccc1Br ZINC000289899295 532867216 /nfs/dbraw/zinc/86/72/16/532867216.db2.gz NIXZCNZUAQYSSO-UHFFFAOYSA-N 1 0 396.329 2.321 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333360581 532867381 /nfs/dbraw/zinc/86/73/81/532867381.db2.gz LAOIRDMBBSQORT-KGLIPLIRSA-N 1 0 395.301 2.232 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333357217 532867661 /nfs/dbraw/zinc/86/76/61/532867661.db2.gz SEMZRNQZFYCQAS-UHFFFAOYSA-N 1 0 396.333 2.490 20 0 GEADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000275186432 532867982 /nfs/dbraw/zinc/86/79/82/532867982.db2.gz CCSOBBFJPHUXMU-APHBMKBZSA-N 1 0 385.555 2.315 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1 ZINC000416300446 532869504 /nfs/dbraw/zinc/86/95/04/532869504.db2.gz IXVWUEWNDCEBKV-UHFFFAOYSA-N 1 0 399.563 2.112 20 0 GEADRO O=C(CSc1ccc(Cl)cc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333494208 532869414 /nfs/dbraw/zinc/86/94/14/532869414.db2.gz JJNOKHQAJOKPLX-HNNXBMFYSA-N 1 0 381.929 2.245 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000416315201 532870252 /nfs/dbraw/zinc/87/02/52/532870252.db2.gz UIDZCGLLYRIGNR-CHWSQXEVSA-N 1 0 394.313 2.386 20 0 GEADRO COC(=O)c1cn(CC[NH2+][C@H](C)Cc2ccc(F)cc2Br)nn1 ZINC000290036645 532870515 /nfs/dbraw/zinc/87/05/15/532870515.db2.gz FMFAHXWTOGHRQM-SNVBAGLBSA-N 1 0 385.237 2.187 20 0 GEADRO COc1cc(Br)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1OC ZINC000290048394 532871305 /nfs/dbraw/zinc/87/13/05/532871305.db2.gz GGTFWQLQWNAPTB-LLVKDONJSA-N 1 0 392.315 2.381 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000333660458 532871311 /nfs/dbraw/zinc/87/13/11/532871311.db2.gz LMNYITIJJIPRFU-HOCLYGCPSA-N 1 0 376.881 2.386 20 0 GEADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Cl)ncc2Br)CC1 ZINC000290041039 532871054 /nfs/dbraw/zinc/87/10/54/532871054.db2.gz LMASAVKMDWEXQI-UHFFFAOYSA-N 1 0 376.682 2.292 20 0 GEADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290048144 532871366 /nfs/dbraw/zinc/87/13/66/532871366.db2.gz GYLSJVNLEGDBIB-RKDXNWHRSA-N 1 0 392.187 2.251 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333645872 532871634 /nfs/dbraw/zinc/87/16/34/532871634.db2.gz IYWJGZAJCJQDOR-LLVKDONJSA-N 1 0 377.304 2.187 20 0 GEADRO O=S(=O)(c1csc2ccccc21)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333689321 532871972 /nfs/dbraw/zinc/87/19/72/532871972.db2.gz PPNOHVYDJGWKTH-CABCVRRESA-N 1 0 378.519 2.290 20 0 GEADRO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333771946 532873271 /nfs/dbraw/zinc/87/32/71/532873271.db2.gz CCXCQJFPHDYFSD-OAHLLOKOSA-N 1 0 392.297 2.157 20 0 GEADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cn2ccc(Br)cc2n1 ZINC000290141946 532873275 /nfs/dbraw/zinc/87/32/75/532873275.db2.gz NUVVLESQZUQWRI-UHFFFAOYSA-N 1 0 396.333 2.052 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C(F)F ZINC000416379082 532873483 /nfs/dbraw/zinc/87/34/83/532873483.db2.gz ZNLQKQMDOWHRJO-TXEJJXNPSA-N 1 0 378.489 2.312 20 0 GEADRO c1csc([C@@H](C[NH2+]Cc2ncc(C3OCCO3)s2)N2CCOCC2)c1 ZINC000290136914 532873687 /nfs/dbraw/zinc/87/36/87/532873687.db2.gz QOOWBZRJTYJTEX-CYBMUJFWSA-N 1 0 381.523 2.413 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333781377 532873632 /nfs/dbraw/zinc/87/36/32/532873632.db2.gz KWBXJZCVDDVPKV-KMUNFCNLSA-N 1 0 383.279 2.102 20 0 GEADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000290174323 532874341 /nfs/dbraw/zinc/87/43/41/532874341.db2.gz DWZWDOSKZUCOJG-FZMZJTMJSA-N 1 0 385.482 2.308 20 0 GEADRO Cc1nn(C)c(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1C(F)F ZINC000416391081 532874992 /nfs/dbraw/zinc/87/49/92/532874992.db2.gz OIQFEEYGRPQYEN-LLVKDONJSA-N 1 0 378.489 2.455 20 0 GEADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nc2ccc(Br)cn2n1 ZINC000333904264 532875230 /nfs/dbraw/zinc/87/52/30/532875230.db2.gz CEIIZCNVZVOJED-YPMHNXCESA-N 1 0 378.274 2.191 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333932867 532876155 /nfs/dbraw/zinc/87/61/55/532876155.db2.gz HEAFSISQQIXWNX-OCCSQVGLSA-N 1 0 396.285 2.114 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N[C@@H]1CCCC[NH2+]C1 ZINC000333943360 532876173 /nfs/dbraw/zinc/87/61/73/532876173.db2.gz QWOJGDBGJBHLCI-GFCCVEGCSA-N 1 0 384.274 2.162 20 0 GEADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(C)c(Br)cc1F ZINC000416404671 532876748 /nfs/dbraw/zinc/87/67/48/532876748.db2.gz AQOVOJBWLRSDIF-UHFFFAOYSA-N 1 0 397.310 2.143 20 0 GEADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000416434128 532877081 /nfs/dbraw/zinc/87/70/81/532877081.db2.gz SNZHIZOBQBMDQR-GXTWGEPZSA-N 1 0 386.901 2.231 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1)[NH+](C)C ZINC000275504489 532877488 /nfs/dbraw/zinc/87/74/88/532877488.db2.gz SNXUDRQZGDCOFE-LLVKDONJSA-N 1 0 380.901 2.392 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3cccnc32)C[C@@H]1[NH+]1CCCC1 ZINC000275528241 532878007 /nfs/dbraw/zinc/87/80/07/532878007.db2.gz WURDFNJFYABMHC-JKSUJKDBSA-N 1 0 377.535 2.435 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)C[C@H]1[NH+]1CCCC1 ZINC000275533867 532878095 /nfs/dbraw/zinc/87/80/95/532878095.db2.gz XYJOIDAOUWVFLZ-GDBMZVCRSA-N 1 0 383.564 2.497 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417182982 532878984 /nfs/dbraw/zinc/87/89/84/532878984.db2.gz RDNAKHMXJMDJOZ-NRUUGDAUSA-N 1 0 384.274 2.412 20 0 GEADRO C[C@@H]1CN(C(=O)NCCc2ccc(I)s2)[C@@H](C)C[NH2+]1 ZINC000417442336 532879774 /nfs/dbraw/zinc/87/97/74/532879774.db2.gz UEAOGURIVOAXKW-ZJUUUORDSA-N 1 0 393.294 2.287 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000418921198 532881640 /nfs/dbraw/zinc/88/16/40/532881640.db2.gz CJMVFNSZPWLVQQ-AWEZNQCLSA-N 1 0 388.281 2.036 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1cc(Br)cs1)C1CCCCC1 ZINC000419722866 532882635 /nfs/dbraw/zinc/88/26/35/532882635.db2.gz NFRQMZJMSCVNEA-CYBMUJFWSA-N 1 0 388.331 2.151 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419871204 532883320 /nfs/dbraw/zinc/88/33/20/532883320.db2.gz XKURXKNDYBUEIK-AWEZNQCLSA-N 1 0 396.329 2.304 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccc(F)cc1 ZINC000290533979 532883578 /nfs/dbraw/zinc/88/35/78/532883578.db2.gz OFMPVIGCFNGUFQ-HNNXBMFYSA-N 1 0 396.260 2.169 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000420451921 532883555 /nfs/dbraw/zinc/88/35/55/532883555.db2.gz RKHWWPXWIBFNLG-UHFFFAOYSA-N 1 0 377.304 2.187 20 0 GEADRO COc1cccc([C@@H](CNC(=O)NCc2nnc(SC)s2)[NH+](C)C)c1 ZINC000275616396 532880045 /nfs/dbraw/zinc/88/00/45/532880045.db2.gz IXFAIHNXIRGIEB-CYBMUJFWSA-N 1 0 381.527 2.371 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418430021 532880750 /nfs/dbraw/zinc/88/07/50/532880750.db2.gz QXPLRWIRFNUVAD-ZOBUZTSGSA-N 1 0 398.345 2.417 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418417709 532880824 /nfs/dbraw/zinc/88/08/24/532880824.db2.gz VLRXQLNSGFBQRJ-TUKIKUTGSA-N 1 0 388.281 2.438 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418436562 532880855 /nfs/dbraw/zinc/88/08/55/532880855.db2.gz IPHNUZQWEKZJOE-ZDUSSCGKSA-N 1 0 376.270 2.438 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Cl)ncc1Br ZINC000290449856 532880941 /nfs/dbraw/zinc/88/09/41/532880941.db2.gz QLTJQFFJIGJEHX-UHFFFAOYSA-N 1 0 376.682 2.074 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000418463343 532881153 /nfs/dbraw/zinc/88/11/53/532881153.db2.gz CWHFPKHDFNADMI-JTQLQIEISA-N 1 0 379.814 2.180 20 0 GEADRO C[C@@H](O)c1ncc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000290445888 532881221 /nfs/dbraw/zinc/88/12/21/532881221.db2.gz MBJOCPOUBIILTP-VXGBXAGGSA-N 1 0 387.552 2.201 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1Cl ZINC000420455847 532883894 /nfs/dbraw/zinc/88/38/94/532883894.db2.gz YMIXHOKAOJSCOP-UHFFFAOYSA-N 1 0 397.324 2.439 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cnc1Br ZINC000275912163 532885519 /nfs/dbraw/zinc/88/55/19/532885519.db2.gz SOEIGGNVYTWCRU-LBPRGKRZSA-N 1 0 397.317 2.280 20 0 GEADRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000420949019 532887306 /nfs/dbraw/zinc/88/73/06/532887306.db2.gz VFXKPDXIAHCUQD-JMSVASOKSA-N 1 0 376.266 2.278 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1O ZINC000290731652 532887612 /nfs/dbraw/zinc/88/76/12/532887612.db2.gz PJILCFBCMXZBFP-JTQLQIEISA-N 1 0 382.404 2.365 20 0 GEADRO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000420934280 532887703 /nfs/dbraw/zinc/88/77/03/532887703.db2.gz GTVISBPFKLYBPL-RYUDHWBXSA-N 1 0 375.332 2.419 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000420604469 532884310 /nfs/dbraw/zinc/88/43/10/532884310.db2.gz RRRFNAUMSCQIEA-UHFFFAOYSA-N 1 0 390.709 2.177 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[C@H]1N1CCOCC1)c1ccc(F)cc1Cl ZINC000360229958 532890116 /nfs/dbraw/zinc/89/01/16/532890116.db2.gz LIXIUUMZZHQLTK-SWLSCSKDSA-N 1 0 376.881 2.258 20 0 GEADRO COC(=O)CCNC(=O)C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000360025441 532888894 /nfs/dbraw/zinc/88/88/94/532888894.db2.gz YOORIWBFADBNDO-DIFFPNOSSA-N 1 0 389.279 2.340 20 0 GEADRO COC[C@@H](O)CC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000360056854 532889144 /nfs/dbraw/zinc/88/91/44/532889144.db2.gz JAWAGXXORQABNZ-JSGCOSHPSA-N 1 0 391.249 2.492 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2nc(Br)ccc2C)CC1 ZINC000276209787 532891116 /nfs/dbraw/zinc/89/11/16/532891116.db2.gz KBFPRTYSRVLNCF-UHFFFAOYSA-N 1 0 398.301 2.157 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc2n(n1)CCO2 ZINC000290892255 532891598 /nfs/dbraw/zinc/89/15/98/532891598.db2.gz CGRPMLVTXNUZRK-UHFFFAOYSA-N 1 0 393.285 2.242 20 0 GEADRO CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000361190310 532892681 /nfs/dbraw/zinc/89/26/81/532892681.db2.gz VTTCECMMTLTZRY-AWEZNQCLSA-N 1 0 385.555 2.139 20 0 GEADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000423018547 532892596 /nfs/dbraw/zinc/89/25/96/532892596.db2.gz ZCUBHRCRFNHZPX-UHFFFAOYSA-N 1 0 387.933 2.106 20 0 GEADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000360695954 532890694 /nfs/dbraw/zinc/89/06/94/532890694.db2.gz BKCTXCNVAXOVIM-KRWDZBQOSA-N 1 0 384.293 2.231 20 0 GEADRO COC(=O)NCCc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)s1 ZINC000276302974 532893131 /nfs/dbraw/zinc/89/31/31/532893131.db2.gz BMADKGYYZSGNGH-UHFFFAOYSA-N 1 0 391.559 2.044 20 0 GEADRO COCCOCCOCC[N@H+](C)C[C@@H](O)c1ccc(Br)cc1 ZINC000276311026 532893292 /nfs/dbraw/zinc/89/32/92/532893292.db2.gz XGSNKGULACRUIA-MRXNPFEDSA-N 1 0 376.291 2.094 20 0 GEADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423084437 532893512 /nfs/dbraw/zinc/89/35/12/532893512.db2.gz HYUUGVWUBNEOMN-XJKSGUPXSA-N 1 0 379.302 2.491 20 0 GEADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2ccc(Br)cc2)C(C)C)C1 ZINC000423098073 532893949 /nfs/dbraw/zinc/89/39/49/532893949.db2.gz JYEPEVJKDTYGKA-OAHLLOKOSA-N 1 0 382.302 2.006 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Br ZINC000424014490 532894526 /nfs/dbraw/zinc/89/45/26/532894526.db2.gz VDDUSCZBTPJCBA-WFASDCNBSA-N 1 0 398.301 2.217 20 0 GEADRO C[C@H]1CCN(C(=O)c2c(F)cccc2I)C[C@H]1C[NH3+] ZINC000424019985 532894821 /nfs/dbraw/zinc/89/48/21/532894821.db2.gz SAWMYFPTJTWVPX-VHSXEESVSA-N 1 0 376.213 2.487 20 0 GEADRO [NH3+]CCCn1cc(C(=O)NC2(c3ccc(Br)cc3)CCC2)nn1 ZINC000423047606 532892779 /nfs/dbraw/zinc/89/27/79/532892779.db2.gz GVHLVDXFOIDEJH-UHFFFAOYSA-N 1 0 378.274 2.199 20 0 GEADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CSCCS2)cc1 ZINC000276288515 532892930 /nfs/dbraw/zinc/89/29/30/532892930.db2.gz CRADFBKYEUGUHI-MRXNPFEDSA-N 1 0 381.567 2.432 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424053395 532895124 /nfs/dbraw/zinc/89/51/24/532895124.db2.gz ONVICSDYCQAHAA-XFMPKHEZSA-N 1 0 396.329 2.399 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000424047330 532895161 /nfs/dbraw/zinc/89/51/61/532895161.db2.gz UNDJPMKGWDICBI-HZMBPMFUSA-N 1 0 389.315 2.031 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ncc(Br)cc1Br ZINC000424043823 532895323 /nfs/dbraw/zinc/89/53/23/532895323.db2.gz HFEWXYSZMNYVAU-XVKPBYJWSA-N 1 0 377.080 2.477 20 0 GEADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000424063367 532895351 /nfs/dbraw/zinc/89/53/51/532895351.db2.gz UJMHBPOBNMEQKX-HNNXBMFYSA-N 1 0 385.302 2.165 20 0 GEADRO Cc1oc(Br)cc1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000424631438 532896383 /nfs/dbraw/zinc/89/63/83/532896383.db2.gz AMOBEQAADCFDHT-ZDUSSCGKSA-N 1 0 386.290 2.023 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COc3cccc(Br)c3)CC2)C1 ZINC000363219472 532897433 /nfs/dbraw/zinc/89/74/33/532897433.db2.gz SCTUDZQYOLVVES-MRXNPFEDSA-N 1 0 396.329 2.066 20 0 GEADRO O=C(Cc1ccc(Cl)cc1Cl)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363220254 532897803 /nfs/dbraw/zinc/89/78/03/532897803.db2.gz YBHSNTDIJHZTGQ-INIZCTEOSA-N 1 0 386.323 2.059 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cnc2Br)C1 ZINC000291269118 532899352 /nfs/dbraw/zinc/89/93/52/532899352.db2.gz HAWXCDXTIYPSMU-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000291277073 532899402 /nfs/dbraw/zinc/89/94/02/532899402.db2.gz HUAANQJQXOAQNS-NWDGAFQWSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000291275454 532899429 /nfs/dbraw/zinc/89/94/29/532899429.db2.gz IGCDONIWNNDSQM-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)ccc1Cl ZINC000363744078 532900536 /nfs/dbraw/zinc/90/05/36/532900536.db2.gz LGCMADCOFFJHQB-SUMWQHHRSA-N 1 0 385.917 2.309 20 0 GEADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000363662364 532900335 /nfs/dbraw/zinc/90/03/35/532900335.db2.gz NGLDPHPQRNVQBK-SRVKXCTJSA-N 1 0 376.309 2.493 20 0 GEADRO COCCC[N@@H+]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000363746618 532900783 /nfs/dbraw/zinc/90/07/83/532900783.db2.gz CWDDGZMVYGHLSZ-UHFFFAOYSA-N 1 0 378.897 2.353 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCC1 ZINC000276790848 532901107 /nfs/dbraw/zinc/90/11/07/532901107.db2.gz RBJQENIXVPXYDW-UHFFFAOYSA-N 1 0 390.228 2.266 20 0 GEADRO CCOC(=O)Nc1scnc1C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000291623279 532905503 /nfs/dbraw/zinc/90/55/03/532905503.db2.gz HCOLKSOKQBUHSC-NEPJUHHUSA-N 1 0 384.527 2.363 20 0 GEADRO FC(F)(F)c1csc(CN2CCN(CC[N@@H+]3CCCOCC3)CC2)n1 ZINC000364032682 532903100 /nfs/dbraw/zinc/90/31/00/532903100.db2.gz DNJWJFDVJGXENF-UHFFFAOYSA-N 1 0 378.464 2.002 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)[NH+]1CCCC1 ZINC000291522425 532903640 /nfs/dbraw/zinc/90/36/40/532903640.db2.gz PWISEUHORYTFIS-SNVBAGLBSA-N 1 0 378.420 2.337 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000364134159 532903824 /nfs/dbraw/zinc/90/38/24/532903824.db2.gz CYKJXRZIYUKRAR-ZIAGYGMSSA-N 1 0 381.318 2.128 20 0 GEADRO CCS(=O)(=O)c1ccc(C(=O)NC2(C(F)(F)F)CC[NH+](C)CC2)cc1 ZINC000364259055 532905635 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392.297 2.060 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292928754 532919936 /nfs/dbraw/zinc/91/99/36/532919936.db2.gz YRKPTVFZMVPZBI-KRWDZBQOSA-N 1 0 386.901 2.233 20 0 GEADRO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@H]1c1cccc(Br)c1 ZINC000366719648 532920629 /nfs/dbraw/zinc/92/06/29/532920629.db2.gz HUQHINNKHXJOLR-LRDDRELGSA-N 1 0 394.313 2.308 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)C2)C1 ZINC000293123341 532922515 /nfs/dbraw/zinc/92/25/15/532922515.db2.gz FCQOQJZONGAYED-MRXNPFEDSA-N 1 0 384.249 2.081 20 0 GEADRO O=C(COc1ccccc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367021890 532922522 /nfs/dbraw/zinc/92/25/22/532922522.db2.gz RJCLKYKHDPPNKX-CQSZACIVSA-N 1 0 383.286 2.197 20 0 GEADRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)c1Br ZINC000367103952 532922794 /nfs/dbraw/zinc/92/27/94/532922794.db2.gz USLGPLBIPCBFIX-RYUDHWBXSA-N 1 0 385.306 2.279 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367157829 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O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293350113 532925605 /nfs/dbraw/zinc/92/56/05/532925605.db2.gz JXKRIIYQLWORSE-XJKCOSOUSA-N 1 0 392.297 2.012 20 0 GEADRO C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000367681569 532926416 /nfs/dbraw/zinc/92/64/16/532926416.db2.gz CVTRVLNFHWZCSI-RYUDHWBXSA-N 1 0 387.552 2.058 20 0 GEADRO Cn1cc(Br)c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000293424733 532926498 /nfs/dbraw/zinc/92/64/98/532926498.db2.gz IMIFHLUUOBZJAS-UHFFFAOYSA-N 1 0 378.274 2.224 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000293475049 532927524 /nfs/dbraw/zinc/92/75/24/532927524.db2.gz RWYDNRQRKRXZMS-LLVKDONJSA-N 1 0 395.301 2.070 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000293501263 532927657 /nfs/dbraw/zinc/92/76/57/532927657.db2.gz SMTWVIMYWDSOKU-VHSXEESVSA-N 1 0 376.320 2.263 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000293520405 532927930 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CCn1cc(C[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cn1 ZINC000736721369 598872707 /nfs/dbraw/zinc/87/27/07/598872707.db2.gz FBBGVAHYRAGGAP-UHFFFAOYSA-N 1 0 388.863 2.197 20 0 GEADRO O=C(C[N@@H+](CCc1cccc(F)c1)C1CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737862914 598873458 /nfs/dbraw/zinc/87/34/58/598873458.db2.gz DGJYSAZMVOLVJR-UHFFFAOYSA-N 1 0 394.454 2.329 20 0 GEADRO O=C(CC[N@@H+](CCO)[C@H]1CCc2ccccc21)Nc1ccccc1-c1nn[nH]n1 ZINC000737839897 598898258 /nfs/dbraw/zinc/89/82/58/598898258.db2.gz WOYOBQHFXNXASZ-IBGZPJMESA-N 1 0 392.463 2.177 20 0 GEADRO O=C(C[NH2+]C1(c2ccccc2)CCOCC1)Nc1sccc1-c1nn[nH]n1 ZINC000737894790 598899705 /nfs/dbraw/zinc/89/97/05/598899705.db2.gz JZFUKFBBICEGPK-UHFFFAOYSA-N 1 0 384.465 2.162 20 0 GEADRO C[NH+](C)[C@H]1CCN(C(=O)NCc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)C1 ZINC000736757059 598906138 /nfs/dbraw/zinc/90/61/38/598906138.db2.gz NSJYXLAFZBTHIN-HNNXBMFYSA-N 1 0 397.508 2.441 20 0 GEADRO CCC(C)(C)[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC ZINC000736314124 598915976 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COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000737030833 598987206 /nfs/dbraw/zinc/98/72/06/598987206.db2.gz AOSQNEQGMHCGRO-UHFFFAOYSA-N 1 0 386.500 2.204 20 0 GEADRO CCC[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736469153 598989679 /nfs/dbraw/zinc/98/96/79/598989679.db2.gz GNDSPXWURDIXBS-QRQLOZEOSA-N 1 0 398.511 2.008 20 0 GEADRO CCC[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736471262 598989773 /nfs/dbraw/zinc/98/97/73/598989773.db2.gz UONDVBQDSOKVMI-KBAYOESNSA-N 1 0 384.484 2.331 20 0 GEADRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736612235 598994361 /nfs/dbraw/zinc/99/43/61/598994361.db2.gz MJKOWHVIYNTPCG-ROUUACIJSA-N 1 0 398.511 2.153 20 0 GEADRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C12CCCC2 ZINC000736612302 598994379 /nfs/dbraw/zinc/99/43/79/598994379.db2.gz NHLXNKWLOYNEHE-SJORKVTESA-N 1 0 384.484 2.475 20 0 GEADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000737342659 599000442 /nfs/dbraw/zinc/00/04/42/599000442.db2.gz SEWFXPPUHMJMKY-UHFFFAOYSA-N 1 0 395.492 2.371 20 0 GEADRO C[C@@H](CNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1)[NH+](C)C ZINC000736026560 599022269 /nfs/dbraw/zinc/02/22/69/599022269.db2.gz UHEDSQBDLJAYOU-AWEZNQCLSA-N 1 0 380.452 2.126 20 0 GEADRO C[C@H](CNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1)[NH+](C)C ZINC000736025965 599022314 /nfs/dbraw/zinc/02/23/14/599022314.db2.gz KJTULVFYEDENTA-CQSZACIVSA-N 1 0 380.452 2.126 20 0 GEADRO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000737473620 599072493 /nfs/dbraw/zinc/07/24/93/599072493.db2.gz FBQGSFYQKATMHU-CVEARBPZSA-N 1 0 397.508 2.346 20 0 GEADRO CC1CCC([NH+]2CCN(CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000736242329 599082157 /nfs/dbraw/zinc/08/21/57/599082157.db2.gz RSMHTEFXSHRHJZ-UHFFFAOYSA-N 1 0 397.527 2.392 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCCSc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735380 599087234 /nfs/dbraw/zinc/08/72/34/599087234.db2.gz COXKPBKMUKYLJM-INIZCTEOSA-N 1 0 386.456 2.304 20 0 GEADRO CN(C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1)[C@@H]1CCC[N@H+](C)C1 ZINC000736854703 599091003 /nfs/dbraw/zinc/09/10/03/599091003.db2.gz FIXKSTZOWCSSBO-CQSZACIVSA-N 1 0 396.451 2.205 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737732317 599094634 /nfs/dbraw/zinc/09/46/34/599094634.db2.gz YLFDZFZIMYGUMI-QRVBRYPASA-N 1 0 392.463 2.151 20 0 GEADRO c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)cc2)c(-c2nn[nH]n2)c1 ZINC000823767523 599106275 /nfs/dbraw/zinc/10/62/75/599106275.db2.gz SMTQPQXQMIAFAM-LJQANCHMSA-N 1 0 390.491 2.440 20 0 GEADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000736804793 599133308 /nfs/dbraw/zinc/13/33/08/599133308.db2.gz WEOLTSLLLJBFRJ-MRXNPFEDSA-N 1 0 394.435 2.203 20 0 GEADRO COc1ccc(OCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000821842961 599135514 /nfs/dbraw/zinc/13/55/14/599135514.db2.gz WXSDMGGXPHKSBP-UHFFFAOYSA-N 1 0 380.452 2.076 20 0 GEADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736290838 599235262 /nfs/dbraw/zinc/23/52/62/599235262.db2.gz CKCWUFVMDROWEF-TZMCWYRMSA-N 1 0 389.891 2.017 20 0 GEADRO Cc1c(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cccc1-c1nn[nH]n1 ZINC000822104537 607281817 /nfs/dbraw/zinc/28/18/17/607281817.db2.gz OFDUXORXDLLRPA-UHFFFAOYSA-N 1 0 395.467 2.437 20 0 GEADRO CC[N@@H+](c1ccc(NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1)C(C)C ZINC000821239461 607307833 /nfs/dbraw/zinc/30/78/33/607307833.db2.gz BNERWZCFIMFOBK-CQSZACIVSA-N 1 0 381.488 2.452 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736237353 599271019 /nfs/dbraw/zinc/27/10/19/599271019.db2.gz PXWKFYFNNHQLDE-RVKKMQEKSA-N 1 0 383.500 2.142 20 0 GEADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000822220325 599271231 /nfs/dbraw/zinc/27/12/31/599271231.db2.gz MCLLBHODWRSWPU-UHFFFAOYSA-N 1 0 391.479 2.396 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)cc1-c1nn[nH]n1 ZINC000737091452 599284944 /nfs/dbraw/zinc/28/49/44/599284944.db2.gz BSNYUXHOZKDDBL-CQSZACIVSA-N 1 0 381.484 2.474 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823196268 599290046 /nfs/dbraw/zinc/29/00/46/599290046.db2.gz BRRYPFDIJCWAON-UHFFFAOYSA-N 1 0 383.378 2.493 20 0 GEADRO Cc1c(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cccc1-c1nn[nH]n1 ZINC000822059505 607325537 /nfs/dbraw/zinc/32/55/37/607325537.db2.gz BRVRDVXAABOISC-INIZCTEOSA-N 1 0 377.452 2.421 20 0 GEADRO C[C@@H]1CCC[C@@H]([N@H+](C)CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736247497 598232882 /nfs/dbraw/zinc/23/28/82/598232882.db2.gz FEXHQWUJHGIVNR-OWDMVUQNSA-N 1 0 397.483 2.102 20 0 GEADRO O[C@H](COc1ccccc1)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738389727 598249413 /nfs/dbraw/zinc/24/94/13/598249413.db2.gz ZNXZWVLEQNMENN-KRWDZBQOSA-N 1 0 395.463 2.150 20 0 GEADRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736908621 598249853 /nfs/dbraw/zinc/24/98/53/598249853.db2.gz HBXCISNCTBRLNA-QRTARXTBSA-N 1 0 380.452 2.426 20 0 GEADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000735635738 598257203 /nfs/dbraw/zinc/25/72/03/598257203.db2.gz HSJXBHSTXDWUJC-LBPRGKRZSA-N 1 0 376.436 2.352 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C[C@H]1OCCc2ccccc21 ZINC000736792214 598257952 /nfs/dbraw/zinc/25/79/52/598257952.db2.gz LMHNYNNVXZPCPN-LJQANCHMSA-N 1 0 392.463 2.441 20 0 GEADRO C[C@@H](C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736235455 598260509 /nfs/dbraw/zinc/26/05/09/598260509.db2.gz BRCXXJHSVLQSDX-OAGGEKHMSA-N 1 0 398.511 2.498 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000735905938 598263214 /nfs/dbraw/zinc/26/32/14/598263214.db2.gz NRYWWVDIJLWUDO-OAHLLOKOSA-N 1 0 385.472 2.356 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000736757827 598324096 /nfs/dbraw/zinc/32/40/96/598324096.db2.gz FFCJFNWZIDVFPT-KRWDZBQOSA-N 1 0 383.431 2.108 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc(F)c1F ZINC000736768010 598331305 /nfs/dbraw/zinc/33/13/05/598331305.db2.gz VRMYSKKBEVVTKF-UHFFFAOYSA-N 1 0 386.406 2.349 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736850051 598331392 /nfs/dbraw/zinc/33/13/92/598331392.db2.gz YMYCZXYDNNFIIP-UHFFFAOYSA-N 1 0 396.451 2.110 20 0 GEADRO CC1CCC([N@H+](C)CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736239590 598334307 /nfs/dbraw/zinc/33/43/07/598334307.db2.gz HHBXPPVVFCMLRV-UHFFFAOYSA-N 1 0 397.483 2.099 20 0 GEADRO CC(C)n1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000735961593 598347832 /nfs/dbraw/zinc/34/78/32/598347832.db2.gz RLCCHPGSIRIRII-UHFFFAOYSA-N 1 0 380.500 2.352 20 0 GEADRO CCCn1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000736503509 598348767 /nfs/dbraw/zinc/34/87/67/598348767.db2.gz XNBRSIOQCQGVIT-UHFFFAOYSA-N 1 0 380.500 2.181 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736859058 598355253 /nfs/dbraw/zinc/35/52/53/598355253.db2.gz CTSANCXFKODLKO-HZPDHXFCSA-N 1 0 389.891 2.017 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000735857243 598356896 /nfs/dbraw/zinc/35/68/96/598356896.db2.gz QFNHIMVWLGCEIF-UHFFFAOYSA-N 1 0 384.440 2.109 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736570201 598357545 /nfs/dbraw/zinc/35/75/45/598357545.db2.gz KUIOXZYYEKUXIU-UHFFFAOYSA-N 1 0 396.451 2.253 20 0 GEADRO Cc1csc(N2CC[N@@H+](CCOc3ccccc3-c3nn[nH]n3)C[C@@H]2C)n1 ZINC000737451929 598365060 /nfs/dbraw/zinc/36/50/60/598365060.db2.gz HCWJMJVSNXJKGH-AWEZNQCLSA-N 1 0 385.497 2.221 20 0 GEADRO Cc1cnn(CC2CC[NH+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737445203 598368302 /nfs/dbraw/zinc/36/83/02/598368302.db2.gz PUEJTLRNUIBAPE-HNNXBMFYSA-N 1 0 394.483 2.111 20 0 GEADRO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735586137 598370492 /nfs/dbraw/zinc/37/04/92/598370492.db2.gz JOPIGJJWBOAOBJ-INIZCTEOSA-N 1 0 386.500 2.262 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000735561230 598373699 /nfs/dbraw/zinc/37/36/99/598373699.db2.gz JRUMOAZHGLRNQV-HOCLYGCPSA-N 1 0 377.452 2.380 20 0 GEADRO O=C(CC[N@H+]1CCc2ccc(O)cc2CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737846804 598374209 /nfs/dbraw/zinc/37/42/09/598374209.db2.gz NQUMCDUBJHRBAO-UHFFFAOYSA-N 1 0 378.436 2.002 20 0 GEADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736109903 598431339 /nfs/dbraw/zinc/43/13/39/598431339.db2.gz BXMUOMATPWVELA-OAHLLOKOSA-N 1 0 394.483 2.096 20 0 GEADRO COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1OC ZINC000737092062 598467460 /nfs/dbraw/zinc/46/74/60/598467460.db2.gz JJRXXQGFJZWUOU-UHFFFAOYSA-N 1 0 395.467 2.038 20 0 GEADRO COc1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1OC ZINC000737132345 598467734 /nfs/dbraw/zinc/46/77/34/598467734.db2.gz KHHJICDVUWYKLH-UHFFFAOYSA-N 1 0 395.467 2.038 20 0 GEADRO O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737874876 598470733 /nfs/dbraw/zinc/47/07/33/598470733.db2.gz DMFXHYUIDIEMRS-CQSZACIVSA-N 1 0 389.891 2.019 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736253875 598473303 /nfs/dbraw/zinc/47/33/03/598473303.db2.gz WTASNPIJYIEEIB-CHWSQXEVSA-N 1 0 375.452 2.068 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000736479830 598476463 /nfs/dbraw/zinc/47/64/63/598476463.db2.gz IZVIZDFPJKDSAN-INIZCTEOSA-N 1 0 383.500 2.273 20 0 GEADRO O=C(NC1CC[NH+](C2CC2)CC1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738027304 598478758 /nfs/dbraw/zinc/47/87/58/598478758.db2.gz ZHNIFVYYZOCVCA-UHFFFAOYSA-N 1 0 381.484 2.168 20 0 GEADRO COc1ccc(COCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737096509 598505657 /nfs/dbraw/zinc/50/56/57/598505657.db2.gz CHFDWRUQEMGEHF-UHFFFAOYSA-N 1 0 394.479 2.214 20 0 GEADRO CCCO[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736489613 598507044 /nfs/dbraw/zinc/50/70/44/598507044.db2.gz XRUHRWGQTRSWFF-MSOLQXFVSA-N 1 0 384.484 2.253 20 0 GEADRO CC[NH+](CC)CC1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736534840 598508599 /nfs/dbraw/zinc/50/85/99/598508599.db2.gz SCBUBGISLIZTNZ-UHFFFAOYSA-N 1 0 389.504 2.069 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000736755727 598511146 /nfs/dbraw/zinc/51/11/46/598511146.db2.gz DKBGSCBUUBIZRS-CQSZACIVSA-N 1 0 396.451 2.205 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(C(F)(F)F)c1 ZINC000736136384 598517279 /nfs/dbraw/zinc/51/72/79/598517279.db2.gz RNHMQNXJZMJMBI-GHMZBOCLSA-N 1 0 392.389 2.475 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)CCCC2 ZINC000736132208 598518395 /nfs/dbraw/zinc/51/83/95/598518395.db2.gz AKLNLRIBAWROBH-KBPBESRZSA-N 1 0 378.484 2.335 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1OC(F)F ZINC000736135698 598520068 /nfs/dbraw/zinc/52/00/68/598520068.db2.gz PQOUUHXPCYOHIA-MNOVXSKESA-N 1 0 390.398 2.057 20 0 GEADRO Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737666457 598520514 /nfs/dbraw/zinc/52/05/14/598520514.db2.gz XWARYHQZBOGIRX-HZMBPMFUSA-N 1 0 386.460 2.071 20 0 GEADRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735914044 598522298 /nfs/dbraw/zinc/52/22/98/598522298.db2.gz HALFRNZOKRZJJG-KGLIPLIRSA-N 1 0 382.472 2.243 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(OC(F)F)c1 ZINC000736137974 598522896 /nfs/dbraw/zinc/52/28/96/598522896.db2.gz ZACHCMBRMPQHSR-WDEREUQCSA-N 1 0 390.398 2.057 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1C(F)(F)F ZINC000736137137 598524392 /nfs/dbraw/zinc/52/43/92/598524392.db2.gz VTEHEDOXGNPDTF-QWRGUYRKSA-N 1 0 392.389 2.475 20 0 GEADRO CCOc1ccccc1[C@H](CC)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736653931 598528871 /nfs/dbraw/zinc/52/88/71/598528871.db2.gz NSRIEPDAZKQDSU-BBRMVZONSA-N 1 0 382.472 2.245 20 0 GEADRO Fc1ccc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCC2)cc1 ZINC000737652572 598529952 /nfs/dbraw/zinc/52/99/52/598529952.db2.gz VECBBFUIPGRXGO-SJKOYZFVSA-N 1 0 382.447 2.375 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736479030 598557743 /nfs/dbraw/zinc/55/77/43/598557743.db2.gz HOVQTSSGAFWGCT-UHFFFAOYSA-N 1 0 398.467 2.453 20 0 GEADRO c1cn(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)cn1 ZINC000738411903 598560757 /nfs/dbraw/zinc/56/07/57/598560757.db2.gz ZAOLQHABXIUWCR-UHFFFAOYSA-N 1 0 375.436 2.432 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736266926 598561744 /nfs/dbraw/zinc/56/17/44/598561744.db2.gz LDLIEMBPYHPLGN-NSHDSACASA-N 1 0 395.414 2.464 20 0 GEADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000738144177 598562484 /nfs/dbraw/zinc/56/24/84/598562484.db2.gz AOTKVDWENYVNIL-LBPRGKRZSA-N 1 0 393.398 2.170 20 0 GEADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736761568 598569738 /nfs/dbraw/zinc/56/97/38/598569738.db2.gz GXEOIFAWCVKVQH-INIZCTEOSA-N 1 0 394.504 2.478 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736267511 598595142 /nfs/dbraw/zinc/59/51/42/598595142.db2.gz SQLANFQYTPSNJW-JTDSTZFVSA-N 1 0 397.527 2.072 20 0 GEADRO CC1(C)CC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC(C)(C)[NH2+]1 ZINC000736212018 598604233 /nfs/dbraw/zinc/60/42/33/598604233.db2.gz VTASSFQANRUSCC-QGZVFWFLSA-N 1 0 397.527 2.261 20 0 GEADRO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000737874863 598614958 /nfs/dbraw/zinc/61/49/58/598614958.db2.gz AKFQPPMAJZVQLC-QGZVFWFLSA-N 1 0 392.467 2.255 20 0 GEADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000116719440 598616504 /nfs/dbraw/zinc/61/65/04/598616504.db2.gz YSOGFITVPIWWQZ-UHFFFAOYSA-N 1 0 391.479 2.408 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736403161 598625854 /nfs/dbraw/zinc/62/58/54/598625854.db2.gz SVDKRNGWPGWBDO-OAHLLOKOSA-N 1 0 386.500 2.262 20 0 GEADRO O[C@H](CNc1cc(Cl)ccc1-c1nn[nH]n1)C[N@@H+]1CCc2ccccc2C1 ZINC000738385138 598634445 /nfs/dbraw/zinc/63/44/45/598634445.db2.gz VZRGIWJFMGGSJJ-MRXNPFEDSA-N 1 0 384.871 2.351 20 0 GEADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737392991 598670457 /nfs/dbraw/zinc/67/04/57/598670457.db2.gz DOXVKLRPDRHWFW-UHFFFAOYSA-N 1 0 394.479 2.144 20 0 GEADRO Cc1cc[nH+]c(NC[C@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)C2)c1 ZINC000737437694 598671962 /nfs/dbraw/zinc/67/19/62/598671962.db2.gz PQVVACJRCMLCCC-CQSZACIVSA-N 1 0 376.468 2.392 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736566167 598684377 /nfs/dbraw/zinc/68/43/77/598684377.db2.gz XQSGGFFECRBSTM-CQSZACIVSA-N 1 0 393.451 2.126 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[nH]n3)cc2)C1 ZINC000736848947 598685389 /nfs/dbraw/zinc/68/53/89/598685389.db2.gz PMLIRUMETNPBAU-CYBMUJFWSA-N 1 0 396.426 2.480 20 0 GEADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736847292 598688226 /nfs/dbraw/zinc/68/82/26/598688226.db2.gz GERDEDQQXBFRMI-AWEZNQCLSA-N 1 0 393.451 2.078 20 0 GEADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736847296 598688630 /nfs/dbraw/zinc/68/86/30/598688630.db2.gz GERDEDQQXBFRMI-CQSZACIVSA-N 1 0 393.451 2.078 20 0 GEADRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000735889314 598699902 /nfs/dbraw/zinc/69/99/02/598699902.db2.gz YNRMWNWDOQFGRV-MAUKXSAKSA-N 1 0 386.500 2.259 20 0 GEADRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC ZINC000736322268 598703083 /nfs/dbraw/zinc/70/30/83/598703083.db2.gz JZFPAQMCIAXSBQ-ZDUSSCGKSA-N 1 0 391.520 2.238 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000735873884 598725468 /nfs/dbraw/zinc/72/54/68/598725468.db2.gz BEEIHEKCBTWDEK-NSHDSACASA-N 1 0 395.414 2.320 20 0 GEADRO C[C@H]1CCc2c(sc(NC(=O)CC[NH+]3CCSCC3)c2-c2nn[nH]n2)C1 ZINC000736279846 598758640 /nfs/dbraw/zinc/75/86/40/598758640.db2.gz NOIYSJXBGLOSGB-NSHDSACASA-N 1 0 392.554 2.430 20 0 GEADRO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737844398 598761537 /nfs/dbraw/zinc/76/15/37/598761537.db2.gz SZWPJYUTUXIJNG-HZPDHXFCSA-N 1 0 390.875 2.492 20 0 GEADRO C[C@H]1c2ccccc2OCC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736305028 598763326 /nfs/dbraw/zinc/76/33/26/598763326.db2.gz SAQNSHHFALFWMT-HOCLYGCPSA-N 1 0 381.436 2.062 20 0 GEADRO CCC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC)C1CC1 ZINC000736471818 598766139 /nfs/dbraw/zinc/76/61/39/598766139.db2.gz WYYQSNHFCLQCJN-UHFFFAOYSA-N 1 0 389.504 2.134 20 0 GEADRO C[C@@](O)(C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000736144524 598786805 /nfs/dbraw/zinc/78/68/05/598786805.db2.gz ZNMDWJFIDODVFE-OAQYLSRUSA-N 1 0 378.480 2.333 20 0 GEADRO C[N@H+](CCN1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)Cc1ccccc1 ZINC000736799055 598797311 /nfs/dbraw/zinc/79/73/11/598797311.db2.gz NWSKEEQJKCWUOD-UHFFFAOYSA-N 1 0 377.496 2.121 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736238212 598809971 /nfs/dbraw/zinc/80/99/71/598809971.db2.gz UCGUTPLARROBAX-MCIONIFRSA-N 1 0 389.529 2.204 20 0 GEADRO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737880192 598813086 /nfs/dbraw/zinc/81/30/86/598813086.db2.gz ZDSHFBFWJQMJPC-CQSZACIVSA-N 1 0 389.891 2.019 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000735984294 598813317 /nfs/dbraw/zinc/81/33/17/598813317.db2.gz AQPNOZFMUKKFKY-ZDUSSCGKSA-N 1 0 384.440 2.109 20 0 GEADRO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736981390 598821085 /nfs/dbraw/zinc/82/10/85/598821085.db2.gz ZICLZNLLYBWLIT-NEPJUHHUSA-N 1 0 378.864 2.206 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1[NH+](C)C ZINC000736293510 599296177 /nfs/dbraw/zinc/29/61/77/599296177.db2.gz VCEWZYZEHZZRCR-DYVFJYSZSA-N 1 0 396.451 2.061 20 0 GEADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000736197703 599309560 /nfs/dbraw/zinc/30/95/60/599309560.db2.gz NXUIETXJEZWMEP-LLVKDONJSA-N 1 0 382.390 2.318 20 0 GEADRO O=C1C[C@H]([N@@H+]2CCC3(C2)CCCCC3)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738301610 599333969 /nfs/dbraw/zinc/33/39/69/599333969.db2.gz PMJXGWLEYKTAGO-INIZCTEOSA-N 1 0 380.452 2.155 20 0 GEADRO CC(C)[C@H](CNc1ccc(Br)cc1-c1nn[nH]n1)[NH+]1CCOCC1 ZINC000735710515 599360919 /nfs/dbraw/zinc/36/09/19/599360919.db2.gz UUZLUCNNVOSBMS-HNNXBMFYSA-N 1 0 395.305 2.398 20 0 GEADRO C[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1cccc(Cl)c1 ZINC000820274319 599381697 /nfs/dbraw/zinc/38/16/97/599381697.db2.gz HCBWFYRBZJCEFH-MEDUHNTESA-N 1 0 386.843 2.104 20 0 GEADRO CCCC[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cc(C)on1 ZINC000821042746 599382265 /nfs/dbraw/zinc/38/22/65/599382265.db2.gz HCRHDHXCJXOMJQ-MRXNPFEDSA-N 1 0 399.455 2.329 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccccc2CN2CCCC2=O)cc1-c1nn[nH]n1 ZINC000821818469 599404427 /nfs/dbraw/zinc/40/44/27/599404427.db2.gz RWPCWWXPQUVGIU-UHFFFAOYSA-N 1 0 392.463 2.288 20 0 GEADRO COc1ccc(C[NH2+]CCc2ccn(-c3ccccc3)n2)cc1-c1nn[nH]n1 ZINC000821813423 599422034 /nfs/dbraw/zinc/42/20/34/599422034.db2.gz GEENGNDDBDLYQE-UHFFFAOYSA-N 1 0 375.436 2.393 20 0 GEADRO CCOCC[N@@H+]1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)C[C@H]1CC ZINC000736624275 599429256 /nfs/dbraw/zinc/42/92/56/599429256.db2.gz UAVJPUMHXBAZBI-OAHLLOKOSA-N 1 0 381.484 2.352 20 0 GEADRO Cc1cc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c2ccccc2n1 ZINC000737262250 599445500 /nfs/dbraw/zinc/44/55/00/599445500.db2.gz LHTSJKGVNIYJLE-UHFFFAOYSA-N 1 0 386.463 2.441 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000820427140 599451275 /nfs/dbraw/zinc/45/12/75/599451275.db2.gz PHZNREMWDDIVND-LLVKDONJSA-N 1 0 375.429 2.260 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000820431380 599451552 /nfs/dbraw/zinc/45/15/52/599451552.db2.gz FEBSJIBUFRTCFL-LLVKDONJSA-N 1 0 375.429 2.260 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000821805703 599454609 /nfs/dbraw/zinc/45/46/09/599454609.db2.gz WIQYSRUXJQCEJC-CXAGYDPISA-N 1 0 378.436 2.159 20 0 GEADRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736238735 599478604 /nfs/dbraw/zinc/47/86/04/599478604.db2.gz ZVVXCAAAYSSCPF-KBXCAEBGSA-N 1 0 394.454 2.500 20 0 GEADRO CCN(CC)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccco1 ZINC000736533756 599486417 /nfs/dbraw/zinc/48/64/17/599486417.db2.gz KHGODNSHQTVYRT-INIZCTEOSA-N 1 0 380.456 2.280 20 0 GEADRO CCOc1cc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)ccc1OC ZINC000736625141 599491207 /nfs/dbraw/zinc/49/12/07/599491207.db2.gz KHRDLXLZEDCVJY-UHFFFAOYSA-N 1 0 379.424 2.212 20 0 GEADRO COCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000821691050 599496538 /nfs/dbraw/zinc/49/65/38/599496538.db2.gz GSLLEJUDZYGDQP-UHFFFAOYSA-N 1 0 387.875 2.013 20 0 GEADRO COCCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC1 ZINC000821687554 599519062 /nfs/dbraw/zinc/51/90/62/599519062.db2.gz FDHOPAXHNQLZOE-UHFFFAOYSA-N 1 0 381.484 2.058 20 0 GEADRO CC[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000820995902 599531749 /nfs/dbraw/zinc/53/17/49/599531749.db2.gz ZYUVKSNGRHNVNW-YPMHNXCESA-N 1 0 384.406 2.167 20 0 GEADRO COCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)C[C@@H]1C ZINC000821691041 599534992 /nfs/dbraw/zinc/53/49/92/599534992.db2.gz GEMVCVKSJOMLFT-ZDUSSCGKSA-N 1 0 385.447 2.019 20 0 GEADRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820323692 599536075 /nfs/dbraw/zinc/53/60/75/599536075.db2.gz YTCSACNTONPKSM-DNVCBOLYSA-N 1 0 391.479 2.351 20 0 GEADRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+]C(C)(C)CO)c1-c1nn[nH]n1 ZINC000737202472 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382.472 2.223 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C[C@H]1C ZINC000821254366 599639136 /nfs/dbraw/zinc/63/91/36/599639136.db2.gz LLXCFYIWBVSBSQ-CZUORRHYSA-N 1 0 382.472 2.221 20 0 GEADRO CCC1(O)CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000820966397 599641399 /nfs/dbraw/zinc/64/13/99/599641399.db2.gz DVNJXGLOUBKITI-UHFFFAOYSA-N 1 0 378.864 2.086 20 0 GEADRO O=C(C[NH+]1C2CCCC1CCC2)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000822993785 599642050 /nfs/dbraw/zinc/64/20/50/599642050.db2.gz YINHZRLOQZTYKF-UHFFFAOYSA-N 1 0 392.467 2.398 20 0 GEADRO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821890694 599643212 /nfs/dbraw/zinc/64/32/12/599643212.db2.gz OBZKOFUALRAYHQ-AWEZNQCLSA-N 1 0 380.452 2.377 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1 ZINC000821583086 599666699 /nfs/dbraw/zinc/66/66/99/599666699.db2.gz IEAPWDRYFOUSTB-KRWDZBQOSA-N 1 0 383.431 2.108 20 0 GEADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821586996 599678804 /nfs/dbraw/zinc/67/88/04/599678804.db2.gz AVENAGATOSYVIW-UHFFFAOYSA-N 1 0 397.458 2.409 20 0 GEADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000823235853 599679540 /nfs/dbraw/zinc/67/95/40/599679540.db2.gz ZEDXPYUETYSVQT-UHFFFAOYSA-N 1 0 387.463 2.166 20 0 GEADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821604968 599683940 /nfs/dbraw/zinc/68/39/40/599683940.db2.gz PCXYOAJDUOSNSW-CQSZACIVSA-N 1 0 388.472 2.187 20 0 GEADRO CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736454483 599963469 /nfs/dbraw/zinc/96/34/69/599963469.db2.gz GHVPMBKCQNTSEJ-UHFFFAOYSA-N 1 0 376.501 2.445 20 0 GEADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824776441 607430140 /nfs/dbraw/zinc/43/01/40/607430140.db2.gz ASTJUBYDEXELEW-GFCCVEGCSA-N 1 0 383.481 2.279 20 0 GEADRO CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]C3(C(=O)[O-])CCCCC3)cc2)CC1 ZINC000737121579 600319056 /nfs/dbraw/zinc/31/90/56/600319056.db2.gz CWYDDJUVRUSKLW-UHFFFAOYSA-N 1 0 388.512 2.144 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](C(=O)[O-])c3ccc(F)cc3)c2)C1 ZINC000739151192 600435592 /nfs/dbraw/zinc/43/55/92/600435592.db2.gz AIJBINBWTJSUDI-QUCCMNQESA-N 1 0 399.466 2.439 20 0 GEADRO CC(C)(C)[NH+]1CCC(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824092961 607452875 /nfs/dbraw/zinc/45/28/75/607452875.db2.gz CJIIGBKPISRSNW-UHFFFAOYSA-N 1 0 383.500 2.418 20 0 GEADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824948721 607453654 /nfs/dbraw/zinc/45/36/54/607453654.db2.gz VKGURFWMKNPYQI-GJZGRUSLSA-N 1 0 383.500 2.275 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000825285194 607455106 /nfs/dbraw/zinc/45/51/06/607455106.db2.gz MKASPTTYSIZGSG-UHFFFAOYSA-N 1 0 383.500 2.420 20 0 GEADRO CCc1nnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821521346 607470577 /nfs/dbraw/zinc/47/05/77/607470577.db2.gz FHMMDHMWPWEXKM-CXAGYDPISA-N 1 0 382.516 2.235 20 0 GEADRO CCc1nnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821521364 607470698 /nfs/dbraw/zinc/47/06/98/607470698.db2.gz FHMMDHMWPWEXKM-GUYCJALGSA-N 1 0 382.516 2.235 20 0 GEADRO C[C@H]1COCCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000825006879 607474783 /nfs/dbraw/zinc/47/47/83/607474783.db2.gz RPZSPQQUSWBMGN-LBPRGKRZSA-N 1 0 390.513 2.246 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000824046775 607476795 /nfs/dbraw/zinc/47/67/95/607476795.db2.gz UZMIDWFJWOIMPX-VCBZYWHSSA-N 1 0 395.511 2.142 20 0 GEADRO COCc1cccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000826164701 607477482 /nfs/dbraw/zinc/47/74/82/607477482.db2.gz LIVMPBJJEFJNOR-UHFFFAOYSA-N 1 0 382.443 2.474 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000829765000 601032690 /nfs/dbraw/zinc/03/26/90/601032690.db2.gz FOUVQCPVWOUPDP-GOSISDBHSA-N 1 0 376.501 2.194 20 0 GEADRO COc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cc1-c1nn[nH]n1 ZINC000821821766 607496891 /nfs/dbraw/zinc/49/68/91/607496891.db2.gz VTUVTFAPPGLJHE-MRXNPFEDSA-N 1 0 394.483 2.023 20 0 GEADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823332139 607508631 /nfs/dbraw/zinc/50/86/31/607508631.db2.gz KGRFFUIGUIYPNP-PXAZEXFGSA-N 1 0 385.447 2.486 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000826182517 607516912 /nfs/dbraw/zinc/51/69/12/607516912.db2.gz MINVIXAOIDHPRS-UHFFFAOYSA-N 1 0 398.511 2.346 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC000824104751 607523129 /nfs/dbraw/zinc/52/31/29/607523129.db2.gz XRWTXHCLGLZNSK-HNNXBMFYSA-N 1 0 385.472 2.236 20 0 GEADRO O=C([O-])[C@@]1(NC(=O)CCCC[NH+]2CCCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000833097471 601728214 /nfs/dbraw/zinc/72/82/14/601728214.db2.gz NPSBLMVHIMQGPY-JOCHJYFZSA-N 1 0 387.524 2.488 20 0 GEADRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)cc(OC)c1 ZINC000826180558 607523779 /nfs/dbraw/zinc/52/37/79/607523779.db2.gz MLXIUMQBQLSVMM-HNNXBMFYSA-N 1 0 395.467 2.355 20 0 GEADRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826202776 607539317 /nfs/dbraw/zinc/53/93/17/607539317.db2.gz MPXHJRVIARJRQI-LBPRGKRZSA-N 1 0 376.461 2.126 20 0 GEADRO COc1ccc(C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)cc1-c1nn[nH]n1 ZINC000826202704 607567945 /nfs/dbraw/zinc/56/79/45/607567945.db2.gz JEGPTRLZPPWCGW-UHFFFAOYSA-N 1 0 376.424 2.054 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc2occc2[nH]1 ZINC000825866266 607571214 /nfs/dbraw/zinc/57/12/14/607571214.db2.gz UJXWUGYLVGUSPH-UHFFFAOYSA-N 1 0 379.424 2.145 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000825193806 607614744 /nfs/dbraw/zinc/61/47/44/607614744.db2.gz NWVFFBMGNIEUQE-GFCCVEGCSA-N 1 0 398.920 2.063 20 0 GEADRO O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000444119655 649937028 /nfs/dbraw/zinc/93/70/28/649937028.db2.gz FJIOOPGWCKUWDI-ZIAGYGMSSA-N 1 0 391.269 2.448 20 0 GEADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000826182241 607638836 /nfs/dbraw/zinc/63/88/36/607638836.db2.gz FEAANGDBHCEENR-GOSISDBHSA-N 1 0 387.484 2.425 20 0 GEADRO C[NH+]1CCC(CNC(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000444138721 649937652 /nfs/dbraw/zinc/93/76/52/649937652.db2.gz HIXLVXYYZAUKPV-UHFFFAOYSA-N 1 0 378.270 2.362 20 0 GEADRO C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1cc2c(cc1Br)OCCO2 ZINC000444149500 649938187 /nfs/dbraw/zinc/93/81/87/649938187.db2.gz AQLRBMBBRGJGSS-GSDQYQHOSA-N 1 0 381.270 2.397 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826034454 607651092 /nfs/dbraw/zinc/65/10/92/607651092.db2.gz RDLNSDCJLJCADU-GFCCVEGCSA-N 1 0 398.920 2.015 20 0 GEADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000444178575 649939131 /nfs/dbraw/zinc/93/91/31/649939131.db2.gz CJJDNLUTJNOHCB-BBRMVZONSA-N 1 0 384.343 2.154 20 0 GEADRO Cc1c(C(=O)NCC[C@H]2CCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000444264233 649943759 /nfs/dbraw/zinc/94/37/59/649943759.db2.gz DABAQKNOEWDMED-CYBMUJFWSA-N 1 0 378.274 2.210 20 0 GEADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(Br)c(Cl)c1F ZINC000444272134 649944305 /nfs/dbraw/zinc/94/43/05/649944305.db2.gz WVUWPRVWDGBRTM-VIFPVBQESA-N 1 0 378.673 2.217 20 0 GEADRO COc1cc(OC)cc([C@@H](C(=O)[O-])[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000832040711 604481278 /nfs/dbraw/zinc/48/12/78/604481278.db2.gz IGUOPQOPAKVFPJ-FQEVSTJZSA-N 1 0 392.496 2.406 20 0 GEADRO CCc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c2ccccc2[nH+]1 ZINC000825700540 607722078 /nfs/dbraw/zinc/72/20/78/607722078.db2.gz JNNMYECYNWAPHX-UHFFFAOYSA-N 1 0 377.456 2.352 20 0 GEADRO C[C@H]1CN([C@H](C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)c2cccs2)CCO1 ZINC000833625996 605224910 /nfs/dbraw/zinc/22/49/10/605224910.db2.gz NVGLDIOPVBVQKP-FUHWJXTLSA-N 1 0 395.569 2.429 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000445069376 649956496 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Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822496378 606860959 /nfs/dbraw/zinc/86/09/59/606860959.db2.gz KYMZRXQNGPYEMF-LSDHHAIUSA-N 1 0 387.875 2.433 20 0 GEADRO CCC[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000821040620 606861310 /nfs/dbraw/zinc/86/13/10/606861310.db2.gz NTPPKAROHAEVSI-JLTOFOAXSA-N 1 0 397.483 2.103 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ncnc2c1CCCC2 ZINC000821586147 606875140 /nfs/dbraw/zinc/87/51/40/606875140.db2.gz LPYKXOSWPUKOBY-UHFFFAOYSA-N 1 0 378.484 2.104 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000822723511 606877154 /nfs/dbraw/zinc/87/71/54/606877154.db2.gz HDVXEPRZLYZKRG-CHWSQXEVSA-N 1 0 397.405 2.336 20 0 GEADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000822723517 606877215 /nfs/dbraw/zinc/87/72/15/606877215.db2.gz HDVXEPRZLYZKRG-OLZOCXBDSA-N 1 0 397.405 2.336 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)Cc1cc(Cl)cn1C ZINC000821702603 606880853 /nfs/dbraw/zinc/88/08/53/606880853.db2.gz ZSOJWWLWDLKYOH-UHFFFAOYSA-N 1 0 376.848 2.378 20 0 GEADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000821688577 606883041 /nfs/dbraw/zinc/88/30/41/606883041.db2.gz QIEBPGGMPHKSRB-STQMWFEESA-N 1 0 389.504 2.133 20 0 GEADRO O=C1CCCN1C[C@H]1CCCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000823530638 606897867 /nfs/dbraw/zinc/89/78/67/606897867.db2.gz NVVFFLBIPHRFMC-QGZVFWFLSA-N 1 0 384.484 2.113 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820703473 606899202 /nfs/dbraw/zinc/89/92/02/606899202.db2.gz FZPCJFOEUJJNKE-HLIPFELVSA-N 1 0 384.528 2.487 20 0 GEADRO CN(C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821595043 606907682 /nfs/dbraw/zinc/90/76/82/606907682.db2.gz KZICUOYAYQKTOU-RTWAWAEBSA-N 1 0 392.507 2.497 20 0 GEADRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820299790 606913407 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HSJOOUWXVSZBHQ-ZDUSSCGKSA-N 1 0 376.436 2.352 20 0 GEADRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821571742 606978913 /nfs/dbraw/zinc/97/89/13/606978913.db2.gz CPGBTTYARGAODR-ZDUSSCGKSA-N 1 0 376.436 2.447 20 0 GEADRO O=C(CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964150 606985381 /nfs/dbraw/zinc/98/53/81/606985381.db2.gz FAMJFUPRPFJWMC-SJORKVTESA-N 1 0 396.451 2.376 20 0 GEADRO CCC1(CC)[C@H]([NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C[C@@H]1OC ZINC000820955995 606986884 /nfs/dbraw/zinc/98/68/84/606986884.db2.gz GQQAZPNDDIVOJK-MJBXVCDLSA-N 1 0 390.513 2.217 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000820709005 607000490 /nfs/dbraw/zinc/00/04/90/607000490.db2.gz BQZLFCJXNHMKEH-HUUCEWRRSA-N 1 0 386.500 2.261 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(-c4nn[nH]n4)cn3C(C)(C)C)CC[C@@H]21 ZINC000821625532 607009951 /nfs/dbraw/zinc/00/99/51/607009951.db2.gz QEGWRRNZWWAYEH-HIFRSBDPSA-N 1 0 386.504 2.371 20 0 GEADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4nccnc4-c4nn[nH]n4)CC[C@H]32)cc1 ZINC000823779327 607031884 /nfs/dbraw/zinc/03/18/84/607031884.db2.gz ANKBJYNUUFCXSZ-IAGOWNOFSA-N 1 0 376.468 2.148 20 0 GEADRO Clc1cccc(N2CC[NH+](CCNc3cccc(-c4nn[nH]n4)n3)CC2)c1 ZINC000822585749 607039301 /nfs/dbraw/zinc/03/93/01/607039301.db2.gz MLNMEDKEIBMCLH-UHFFFAOYSA-N 1 0 384.875 2.149 20 0 GEADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820758943 607058995 /nfs/dbraw/zinc/05/89/95/607058995.db2.gz GBENYTRQMXBDCV-KUHUBIRLSA-N 1 0 381.459 2.401 20 0 GEADRO CC1CCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)CC1 ZINC000820715673 607065133 /nfs/dbraw/zinc/06/51/33/607065133.db2.gz BWELGFBPBVLWPU-UHFFFAOYSA-N 1 0 386.475 2.476 20 0 GEADRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822299874 607074804 /nfs/dbraw/zinc/07/48/04/607074804.db2.gz XPYHFLKEHMZBIN-QFBILLFUSA-N 1 0 380.452 2.147 20 0 GEADRO O[C@@H](C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000823675329 607075792 /nfs/dbraw/zinc/07/57/92/607075792.db2.gz WDARNUOODWOUIQ-HNNXBMFYSA-N 1 0 385.390 2.271 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821637799 607088755 /nfs/dbraw/zinc/08/87/55/607088755.db2.gz UOPHIBJBXSDLMS-OLZOCXBDSA-N 1 0 386.481 2.187 20 0 GEADRO C[C@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CCO1 ZINC000820635275 607121958 /nfs/dbraw/zinc/12/19/58/607121958.db2.gz LUJVHRSGSFJDGV-OAQYLSRUSA-N 1 0 392.463 2.443 20 0 GEADRO O=C(CC[N@@H+](CCCO)Cc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964157 607146735 /nfs/dbraw/zinc/14/67/35/607146735.db2.gz FGVABVAKZYLBMW-UHFFFAOYSA-N 1 0 380.452 2.080 20 0 GEADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000821613300 607150990 /nfs/dbraw/zinc/15/09/90/607150990.db2.gz HKUQJAIESWWBHX-INIZCTEOSA-N 1 0 378.436 2.220 20 0 GEADRO CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC[N@@H+]1CCOC ZINC000820989366 607199116 /nfs/dbraw/zinc/19/91/16/607199116.db2.gz REPSFXAOTGTANO-CYBMUJFWSA-N 1 0 393.879 2.095 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C1CC1 ZINC000446104871 649972085 /nfs/dbraw/zinc/97/20/85/649972085.db2.gz NBSXMODLHHCKAG-DZGCQCFKSA-N 1 0 380.286 2.331 20 0 GEADRO O=S(=O)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484413 607815665 /nfs/dbraw/zinc/81/56/65/607815665.db2.gz BVENJFHXCVYKDR-QGZVFWFLSA-N 1 0 375.498 2.295 20 0 GEADRO Cc1nc(N2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)sc1C ZINC000826327007 607830936 /nfs/dbraw/zinc/83/09/36/607830936.db2.gz OGUXQXNYOXYJBS-UHFFFAOYSA-N 1 0 385.497 2.141 20 0 GEADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000826523221 607849955 /nfs/dbraw/zinc/84/99/55/607849955.db2.gz FQKFJVCWMNPLJX-INIZCTEOSA-N 1 0 393.495 2.496 20 0 GEADRO CCc1nn(C)c(CC)c1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825759376 607909192 /nfs/dbraw/zinc/90/91/92/607909192.db2.gz DNKMTINBMNWIKU-UHFFFAOYSA-N 1 0 394.527 2.484 20 0 GEADRO C[C@@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc([S@](C)=O)cc1 ZINC000824627533 607910535 /nfs/dbraw/zinc/91/05/35/607910535.db2.gz YFJDVXVGXLBHMB-MUDIAHQHSA-N 1 0 381.465 2.103 20 0 GEADRO C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824487339 607911716 /nfs/dbraw/zinc/91/17/16/607911716.db2.gz ANHZPBIOZGZOBQ-KSSFIOAISA-N 1 0 383.500 2.301 20 0 GEADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000825621854 607917431 /nfs/dbraw/zinc/91/74/31/607917431.db2.gz ZEFKKIWLWNIIER-MRXNPFEDSA-N 1 0 399.499 2.461 20 0 GEADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc[nH]c(=O)c1Br ZINC000446104235 649972153 /nfs/dbraw/zinc/97/21/53/649972153.db2.gz SUYVCWUKRCYVOE-UHFFFAOYSA-N 1 0 391.269 2.339 20 0 GEADRO CC(=O)N1CC[C@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c2ccccc21 ZINC000823972747 607939712 /nfs/dbraw/zinc/93/97/12/607939712.db2.gz GLVPMFIWHZGZBH-KRWDZBQOSA-N 1 0 388.435 2.102 20 0 GEADRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)CC1 ZINC000826319821 607952623 /nfs/dbraw/zinc/95/26/23/607952623.db2.gz UPYAILKUTXPXLE-UHFFFAOYSA-N 1 0 389.463 2.376 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)c1-c1nn[nH]n1 ZINC000826077826 608019901 /nfs/dbraw/zinc/01/99/01/608019901.db2.gz XDFOHJGKEGEENH-AAEUAGOBSA-N 1 0 398.471 2.030 20 0 GEADRO CCc1ccc(C(C)(C)C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cc1 ZINC000825705188 608020167 /nfs/dbraw/zinc/02/01/67/608020167.db2.gz YHKVFODMQYIFFE-UHFFFAOYSA-N 1 0 396.499 2.221 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c(C)c(C)[nH]c32)c1-c1nn[nH]n1 ZINC000826083801 608022451 /nfs/dbraw/zinc/02/24/51/608022451.db2.gz QWHDZZLPMVAKEU-UHFFFAOYSA-N 1 0 393.455 2.092 20 0 GEADRO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000826179192 608044234 /nfs/dbraw/zinc/04/42/34/608044234.db2.gz DCGNKCROEGQHJS-KSSFIOAISA-N 1 0 395.463 2.409 20 0 GEADRO C[NH+](C)CCN1CCC(Nc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825865367 608047838 /nfs/dbraw/zinc/04/78/38/608047838.db2.gz AWDSKTVFDZDWHV-UHFFFAOYSA-N 1 0 394.321 2.067 20 0 GEADRO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC000826188179 608064682 /nfs/dbraw/zinc/06/46/82/608064682.db2.gz POYABQWNWGDFQR-ICSRJNTNSA-N 1 0 380.452 2.142 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000825866346 608073843 /nfs/dbraw/zinc/07/38/43/608073843.db2.gz WQJMBXUSEFJCMR-KHPPLWFESA-N 1 0 392.463 2.176 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000826175460 608079219 /nfs/dbraw/zinc/07/92/19/608079219.db2.gz GGUKWVNEPPLTKD-GOSISDBHSA-N 1 0 394.479 2.243 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825870516 608089668 /nfs/dbraw/zinc/08/96/68/608089668.db2.gz PNQAOJDHZMGBPG-MRXNPFEDSA-N 1 0 398.492 2.204 20 0 GEADRO Cc1ccc([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000826285979 608126797 /nfs/dbraw/zinc/12/67/97/608126797.db2.gz PLLUJIYLQUBMKV-RTBURBONSA-N 1 0 379.464 2.404 20 0 GEADRO CCC(CC)(C[NH2+]CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1)C(=O)OC ZINC000825089515 608167600 /nfs/dbraw/zinc/16/76/00/608167600.db2.gz HPKCJNUXIUMRCW-UHFFFAOYSA-N 1 0 394.501 2.053 20 0 GEADRO CCC(CC)(C[NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C(=O)OC ZINC000825089268 608167990 /nfs/dbraw/zinc/16/79/90/608167990.db2.gz BBAHITDZMIZQSQ-UHFFFAOYSA-N 1 0 394.863 2.028 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000824857156 608200967 /nfs/dbraw/zinc/20/09/67/608200967.db2.gz BREWEWCFYSCHHF-ZIAGYGMSSA-N 1 0 393.451 2.219 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC[N@H+]1C ZINC000824857154 608201275 /nfs/dbraw/zinc/20/12/75/608201275.db2.gz BREWEWCFYSCHHF-KGLIPLIRSA-N 1 0 393.451 2.219 20 0 GEADRO O=C([C@@H]1CC12CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2)N1CCCCC1 ZINC000826397318 608212426 /nfs/dbraw/zinc/21/24/26/608212426.db2.gz AUBRRTFKHBJGOU-SFHVURJKSA-N 1 0 380.496 2.481 20 0 GEADRO C[NH+](C)CCOc1cc(CNc2ccc3cc(-c4nn[nH]n4)ccc3n2)ccn1 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ZINC000826168200 608356684 /nfs/dbraw/zinc/35/66/84/608356684.db2.gz FQTCCJPRRBKMGW-AWEZNQCLSA-N 1 0 386.500 2.248 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000826169080 608363141 /nfs/dbraw/zinc/36/31/41/608363141.db2.gz HQYUMISOEATSIH-AWEZNQCLSA-N 1 0 386.500 2.250 20 0 GEADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825221099 608407683 /nfs/dbraw/zinc/40/76/83/608407683.db2.gz XZTHHUFINZTRGB-FUHWJXTLSA-N 1 0 392.511 2.419 20 0 GEADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000825220229 608409589 /nfs/dbraw/zinc/40/95/89/608409589.db2.gz QPYYQQUVWNLYGT-ZIAGYGMSSA-N 1 0 389.529 2.042 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000826169649 608412107 /nfs/dbraw/zinc/41/21/07/608412107.db2.gz ZQGLLDBEYJLXLZ-HNNXBMFYSA-N 1 0 380.456 2.181 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@@H+]1C ZINC000824892605 608419330 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UTWCAPKFTZJLFE-CQSZACIVSA-N 1 0 383.452 2.267 20 0 GEADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000826209443 608460538 /nfs/dbraw/zinc/46/05/38/608460538.db2.gz BWIUTVBHJWOHGU-LBPRGKRZSA-N 1 0 382.424 2.173 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCCCOC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563150 608462315 /nfs/dbraw/zinc/46/23/15/608462315.db2.gz MGNHXXPUBUXPHP-OAHLLOKOSA-N 1 0 386.500 2.373 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCCc1c(F)cccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563813 608463811 /nfs/dbraw/zinc/46/38/11/608463811.db2.gz QHDHGWKRVGQYHJ-GFCCVEGCSA-N 1 0 386.406 2.154 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555913 608466399 /nfs/dbraw/zinc/46/63/99/608466399.db2.gz YPJKKJCFUQHAJE-OHTICNEOSA-N 1 0 380.496 2.458 20 0 GEADRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555801 608466537 /nfs/dbraw/zinc/46/65/37/608466537.db2.gz YFKSBTPLUMNNPI-FZMZJTMJSA-N 1 0 382.390 2.318 20 0 GEADRO 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ZINC000826389836 608496502 /nfs/dbraw/zinc/49/65/02/608496502.db2.gz JQLQWLSLOCKBDW-UHFFFAOYSA-N 1 0 392.463 2.143 20 0 GEADRO c1cc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1COC2 ZINC000826513951 608502803 /nfs/dbraw/zinc/50/28/03/608502803.db2.gz BSDBHCHNPOAHQR-UHFFFAOYSA-N 1 0 376.464 2.215 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826223937 608504232 /nfs/dbraw/zinc/50/42/32/608504232.db2.gz HNYIGZWDYPFGIW-SFHVURJKSA-N 1 0 383.477 2.437 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)COc1cccc(F)c1 ZINC000826503483 608504860 /nfs/dbraw/zinc/50/48/60/608504860.db2.gz YRVFREQDJQHARS-VQIMIIECSA-N 1 0 383.427 2.413 20 0 GEADRO O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826483473 608505838 /nfs/dbraw/zinc/50/58/38/608505838.db2.gz OPOJUJNRABBFLX-SFHVURJKSA-N 1 0 388.431 2.130 20 0 GEADRO CS(=O)(=O)Nc1cccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826224019 608519238 /nfs/dbraw/zinc/51/92/38/608519238.db2.gz KQAZHSANAPTBOD-UHFFFAOYSA-N 1 0 398.492 2.403 20 0 GEADRO c1cnnc(N2CCC[C@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)c1 ZINC000826525812 608522667 /nfs/dbraw/zinc/52/26/67/608522667.db2.gz ABBHVNUFAROHJD-WMZOPIPTSA-N 1 0 376.468 2.293 20 0 GEADRO O=C1c2ccccc2C(=O)N1CCC[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826483201 608528408 /nfs/dbraw/zinc/52/84/08/608528408.db2.gz FFYUTQGSKBZXEB-UHFFFAOYSA-N 1 0 388.431 2.132 20 0 GEADRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824315659 608529515 /nfs/dbraw/zinc/52/95/15/608529515.db2.gz SHWFOMYBYKSRNG-UHFFFAOYSA-N 1 0 392.529 2.072 20 0 GEADRO CCOc1ccc(OC[C@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000825643096 608530370 /nfs/dbraw/zinc/53/03/70/608530370.db2.gz IONDHRWNAAKOHJ-QGZVFWFLSA-N 1 0 395.463 2.284 20 0 GEADRO CN(Cc1ccccc1F)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825981882 608532373 /nfs/dbraw/zinc/53/23/73/608532373.db2.gz ZJMZESROHBOGMV-UHFFFAOYSA-N 1 0 380.427 2.243 20 0 GEADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCCc1ccccc1 ZINC000826412205 608532628 /nfs/dbraw/zinc/53/26/28/608532628.db2.gz GJCMJJMMSDIWGG-UHFFFAOYSA-N 1 0 376.464 2.194 20 0 GEADRO CC(=O)c1ccc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000824024784 608533089 /nfs/dbraw/zinc/53/30/89/608533089.db2.gz PMRJGTJRXFIMLJ-UHFFFAOYSA-N 1 0 376.420 2.287 20 0 GEADRO COc1ccc(C)cc1NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826190372 608533879 /nfs/dbraw/zinc/53/38/79/608533879.db2.gz ZBPNEIXAQHXQMK-UHFFFAOYSA-N 1 0 378.436 2.401 20 0 GEADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccnc(-c4nn[nH]n4)c3)ccc2NC1=O ZINC000825219193 608538413 /nfs/dbraw/zinc/53/84/13/608538413.db2.gz HXGCZGSUBUWEHH-BDJLRTHQSA-N 1 0 379.424 2.222 20 0 GEADRO Cc1nn(C)c(C)c1C[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826333265 608570282 /nfs/dbraw/zinc/57/02/82/608570282.db2.gz AMIBAFXENUEFCD-UHFFFAOYSA-N 1 0 382.472 2.092 20 0 GEADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824109461 608578845 /nfs/dbraw/zinc/57/88/45/608578845.db2.gz RBBCSIRRZWKKTB-JKSUJKDBSA-N 1 0 388.472 2.281 20 0 GEADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825492000 608580801 /nfs/dbraw/zinc/58/08/01/608580801.db2.gz BVTZBLZZSCOHJN-OLZOCXBDSA-N 1 0 395.410 2.332 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(c2cccnc2)CC1 ZINC000824046251 608583976 /nfs/dbraw/zinc/58/39/76/608583976.db2.gz RPSHWWMVSHSBAM-AWEZNQCLSA-N 1 0 377.452 2.468 20 0 GEADRO CN(C)c1ncc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)s1 ZINC000825884345 608584527 /nfs/dbraw/zinc/58/45/27/608584527.db2.gz ZSVGLZQQXDLYLV-UHFFFAOYSA-N 1 0 384.513 2.102 20 0 GEADRO c1ccc(N2CCC[N@@H+](Cc3cccc4c3OCO4)CC2)c(-c2nn[nH]n2)c1 ZINC000826516122 608585335 /nfs/dbraw/zinc/58/53/35/608585335.db2.gz XRELWZYWVAVECH-UHFFFAOYSA-N 1 0 378.436 2.308 20 0 GEADRO CCC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000825254524 608591314 /nfs/dbraw/zinc/59/13/14/608591314.db2.gz TWDIMIFOFFBAAS-KRWDZBQOSA-N 1 0 379.468 2.322 20 0 GEADRO CCc1nn(C)c(CC)c1C[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000825755147 608595197 /nfs/dbraw/zinc/59/51/97/608595197.db2.gz PCUMGRMLNVHLTP-UHFFFAOYSA-N 1 0 398.490 2.186 20 0 GEADRO CC1CC[NH+](C[C@@H]2CCCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)CC1 ZINC000824953521 608638565 /nfs/dbraw/zinc/63/85/65/608638565.db2.gz FDGCTFVZCLYIJS-KRWDZBQOSA-N 1 0 394.527 2.458 20 0 GEADRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824109397 608649321 /nfs/dbraw/zinc/64/93/21/608649321.db2.gz OZQCPNCYNMOIHT-UHFFFAOYSA-N 1 0 376.436 2.495 20 0 GEADRO Cc1n[nH]c(C)c1C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000826321733 608655402 /nfs/dbraw/zinc/65/54/02/608655402.db2.gz NSTAVSRBRHRTIK-UHFFFAOYSA-N 1 0 389.467 2.077 20 0 GEADRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826333919 608691125 /nfs/dbraw/zinc/69/11/25/608691125.db2.gz ZKUVTKRMPQKCJV-INIZCTEOSA-N 1 0 377.456 2.202 20 0 GEADRO O[C@@H](C[NH+]1CCC(CNc2cnccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000826502668 608782544 /nfs/dbraw/zinc/78/25/44/608782544.db2.gz IHVUERYZCXXKMV-IBGZPJMESA-N 1 0 379.468 2.119 20 0 GEADRO C/C(=C/c1ccccc1)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000823943085 608837370 /nfs/dbraw/zinc/83/73/70/608837370.db2.gz MRWVGNDQPPDJSA-IRVMHKCDSA-N 1 0 376.468 2.271 20 0 GEADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccco1 ZINC000826502995 608842863 /nfs/dbraw/zinc/84/28/63/608842863.db2.gz NZCQRRYAESRUFQ-ZBFHGGJFSA-N 1 0 379.424 2.196 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446383352 649979085 /nfs/dbraw/zinc/97/90/85/649979085.db2.gz UJBZYMNMLYVZGW-DZGCQCFKSA-N 1 0 398.276 2.326 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824598057 609150723 /nfs/dbraw/zinc/15/07/23/609150723.db2.gz ARKVAEWNVVEXEH-JTQLQIEISA-N 1 0 390.369 2.365 20 0 GEADRO CCc1nc(CN2CCC[C@@H]([NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000825745186 609155815 /nfs/dbraw/zinc/15/58/15/609155815.db2.gz JHVVZCFLQQHZID-CZUORRHYSA-N 1 0 382.472 2.127 20 0 GEADRO Cc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258487 609161983 /nfs/dbraw/zinc/16/19/83/609161983.db2.gz MYGQZAGQIUIYHL-INIZCTEOSA-N 1 0 396.499 2.067 20 0 GEADRO CC1(C)C[C@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C(C)(C)O1 ZINC000824788599 609168701 /nfs/dbraw/zinc/16/87/01/609168701.db2.gz BOEJNQKZEBEVLX-HOTGVXAUSA-N 1 0 384.484 2.298 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cncc(F)c1 ZINC000824548057 609168781 /nfs/dbraw/zinc/16/87/81/609168781.db2.gz USJZMOHZGDMCKH-YVEFUNNKSA-N 1 0 381.415 2.247 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cncc(F)c1 ZINC000824548054 609168933 /nfs/dbraw/zinc/16/89/33/609168933.db2.gz USJZMOHZGDMCKH-PXAZEXFGSA-N 1 0 381.415 2.247 20 0 GEADRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826329549 609169302 /nfs/dbraw/zinc/16/93/02/609169302.db2.gz IBAJPJLMAGVXNU-ABAIWWIYSA-N 1 0 383.481 2.478 20 0 GEADRO COc1ccc(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)cc1-c1nn[nH]n1 ZINC000826203643 609188266 /nfs/dbraw/zinc/18/82/66/609188266.db2.gz ZBDNTXFLKYRDML-OAHLLOKOSA-N 1 0 386.843 2.235 20 0 GEADRO FC(F)Cn1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826369748 609244641 /nfs/dbraw/zinc/24/46/41/609244641.db2.gz PDKSBFJBCUTCPX-UHFFFAOYSA-N 1 0 388.426 2.405 20 0 GEADRO NC(=O)Nc1cccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826392622 609274651 /nfs/dbraw/zinc/27/46/51/609274651.db2.gz GBADDMHALZXYHH-UHFFFAOYSA-N 1 0 392.467 2.434 20 0 GEADRO O[C@]1(c2ccc(F)cc2)CC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826506304 609282479 /nfs/dbraw/zinc/28/24/79/609282479.db2.gz RIIPNYRZZZIQMZ-HXUWFJFHSA-N 1 0 383.427 2.368 20 0 GEADRO C[C@H](NC(=O)COc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477664 609285163 /nfs/dbraw/zinc/28/51/63/609285163.db2.gz BYFXENGDAMLCIS-GOEBONIOSA-N 1 0 384.484 2.015 20 0 GEADRO C[C@H](NC(=O)COc1ccccc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824480135 609285404 /nfs/dbraw/zinc/28/54/04/609285404.db2.gz UGMKAWNURMMHPB-LSDHHAIUSA-N 1 0 384.484 2.015 20 0 GEADRO C[C@H](NC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824498134 609298355 /nfs/dbraw/zinc/29/83/55/609298355.db2.gz CDHJTMVHBLHNRE-WMLDXEAASA-N 1 0 383.500 2.319 20 0 GEADRO C[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824572055 609326109 /nfs/dbraw/zinc/32/61/09/609326109.db2.gz SJRTUCDUCITXCD-KSSFIOAISA-N 1 0 396.470 2.076 20 0 GEADRO C[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824572053 609326221 /nfs/dbraw/zinc/32/62/21/609326221.db2.gz SJRTUCDUCITXCD-KDOFPFPSSA-N 1 0 396.470 2.076 20 0 GEADRO CC(C)[C@H](CNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCC1 ZINC000824191855 609336323 /nfs/dbraw/zinc/33/63/23/609336323.db2.gz HBWVOTBJHDRBKC-IBGZPJMESA-N 1 0 394.527 2.477 20 0 GEADRO Cn1cc(C[NH2+]CCCc2nccs2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361923 609340467 /nfs/dbraw/zinc/34/04/67/609340467.db2.gz WDYWBPFJKNSWTI-UHFFFAOYSA-N 1 0 380.481 2.446 20 0 GEADRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824228437 609340745 /nfs/dbraw/zinc/34/07/45/609340745.db2.gz IKNFGYCTPXPSHW-APWZRJJASA-N 1 0 381.484 2.418 20 0 GEADRO CN(C)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825878737 609342827 /nfs/dbraw/zinc/34/28/27/609342827.db2.gz CYEWLJBHTPZFQV-UHFFFAOYSA-N 1 0 389.467 2.018 20 0 GEADRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000824223446 609375653 /nfs/dbraw/zinc/37/56/53/609375653.db2.gz JSIQLRMIAAYPSO-HNNXBMFYSA-N 1 0 378.864 2.206 20 0 GEADRO COc1cccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826216277 609412672 /nfs/dbraw/zinc/41/26/72/609412672.db2.gz RCFJAFRFVAFXNG-SFHVURJKSA-N 1 0 378.436 2.161 20 0 GEADRO OC[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000826507671 609429556 /nfs/dbraw/zinc/42/95/56/609429556.db2.gz UCRAOKMERNQUKD-HOTGVXAUSA-N 1 0 393.369 2.242 20 0 GEADRO C[C@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824477977 609456224 /nfs/dbraw/zinc/45/62/24/609456224.db2.gz DQPIBOMCZUJGPZ-OXJNMPFZSA-N 1 0 390.491 2.436 20 0 GEADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824531971 609513764 /nfs/dbraw/zinc/51/37/64/609513764.db2.gz SBVNQFUOLOOQHA-SRVKXCTJSA-N 1 0 378.864 2.252 20 0 GEADRO Cc1ccnc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c1-c1nn[nH]n1 ZINC000826310975 609527330 /nfs/dbraw/zinc/52/73/30/609527330.db2.gz PCCYUEWWQHFLER-UHFFFAOYSA-N 1 0 386.463 2.441 20 0 GEADRO Cc1ccnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1-c1nn[nH]n1 ZINC000826314851 609555812 /nfs/dbraw/zinc/55/58/12/609555812.db2.gz PEZGAHATISTROE-UHFFFAOYSA-N 1 0 383.485 2.115 20 0 GEADRO Cc1ccnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)c1-c1nn[nH]n1 ZINC000826314893 609555914 /nfs/dbraw/zinc/55/59/14/609555914.db2.gz QSOGDBWJAUXMSS-LBPRGKRZSA-N 1 0 385.501 2.361 20 0 GEADRO Cc1ccnc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826312270 609558488 /nfs/dbraw/zinc/55/84/88/609558488.db2.gz ZSSYKHQEJZGFLW-INIZCTEOSA-N 1 0 378.484 2.193 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000446528908 649982924 /nfs/dbraw/zinc/98/29/24/649982924.db2.gz HLXIDJOZFBEQGA-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1Br ZINC000447242803 650002939 /nfs/dbraw/zinc/00/29/39/650002939.db2.gz HLHGDJOBEAZPDG-WDEREUQCSA-N 1 0 377.304 2.206 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000447244091 650003313 /nfs/dbraw/zinc/00/33/13/650003313.db2.gz KHMNWBKMFOXKFC-MNOVXSKESA-N 1 0 377.304 2.124 20 0 GEADRO C[C@H](C[NH3+])CNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000447252048 650003675 /nfs/dbraw/zinc/00/36/75/650003675.db2.gz WWOLSQRLDLPVMH-SSDOTTSWSA-N 1 0 375.210 2.341 20 0 GEADRO C[C@H]1C[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[NH2+]1 ZINC000447512135 650007172 /nfs/dbraw/zinc/00/71/72/650007172.db2.gz XDKOZFWNYPHVCQ-SMDDNHRTSA-N 1 0 383.290 2.217 20 0 GEADRO CO[C@@H](C[NH3+])CC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000447434399 650006783 /nfs/dbraw/zinc/00/67/83/650006783.db2.gz GLIWNQFAMKAALB-MRVPVSSYSA-N 1 0 389.250 2.409 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC[C@H](C1CC1)[NH+](C)C ZINC000449085687 650031189 /nfs/dbraw/zinc/03/11/89/650031189.db2.gz AEBDBPOQLHQWAU-BLLLJJGKSA-N 1 0 398.345 2.392 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000449084069 650031251 /nfs/dbraw/zinc/03/12/51/650031251.db2.gz FLSPGOLDQDZHCR-STQMWFEESA-N 1 0 385.302 2.479 20 0 GEADRO O=C(CC[NH2+]Cc1ccnc2c(Br)cccc12)N1CCOCC1 ZINC000449088849 650031523 /nfs/dbraw/zinc/03/15/23/650031523.db2.gz IRPDQZXAXHDWAZ-UHFFFAOYSA-N 1 0 378.270 2.336 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC[C@H](C1CC1)[NH+](C)C ZINC000449085689 650031598 /nfs/dbraw/zinc/03/15/98/650031598.db2.gz AEBDBPOQLHQWAU-MLGOLLRUSA-N 1 0 398.345 2.392 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000449149074 650032847 /nfs/dbraw/zinc/03/28/47/650032847.db2.gz VYZDRODDKWEZHO-APPDUMDISA-N 1 0 385.302 2.213 20 0 GEADRO COC[C@H](O)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000449155527 650033363 /nfs/dbraw/zinc/03/33/63/650033363.db2.gz LUBJZHFMQMXWMT-GFCCVEGCSA-N 1 0 388.251 2.063 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000449165457 650033548 /nfs/dbraw/zinc/03/35/48/650033548.db2.gz WDOFKVSJDFPZNM-DLBZAZTESA-N 1 0 380.330 2.306 20 0 GEADRO CC[C@@H]([NH2+]Cc1ccc(I)cc1)C(=O)N1CCOCC1 ZINC000449180321 650033581 /nfs/dbraw/zinc/03/35/81/650033581.db2.gz ZRXZXFIICZZCQT-CQSZACIVSA-N 1 0 388.249 2.018 20 0 GEADRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000449236729 650035078 /nfs/dbraw/zinc/03/50/78/650035078.db2.gz ZFJWOZOQUHEDQV-ZDUSSCGKSA-N 1 0 379.263 2.348 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000449241030 650035680 /nfs/dbraw/zinc/03/56/80/650035680.db2.gz QPOLQBUMJPBGBF-GFCCVEGCSA-N 1 0 387.274 2.254 20 0 GEADRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc(I)cc1 ZINC000449243193 650035704 /nfs/dbraw/zinc/03/57/04/650035704.db2.gz IXHZLPUHJLHOKK-HNNXBMFYSA-N 1 0 391.249 2.474 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(I)cc1)C1(S(C)(=O)=O)CC1 ZINC000449321559 650038279 /nfs/dbraw/zinc/03/82/79/650038279.db2.gz MNKRRKOMMFKCSP-JTQLQIEISA-N 1 0 379.263 2.347 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449131329 650032280 /nfs/dbraw/zinc/03/22/80/650032280.db2.gz LWRXTOSTNOXJIS-CYBMUJFWSA-N 1 0 379.295 2.493 20 0 GEADRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449131330 650032282 /nfs/dbraw/zinc/03/22/82/650032282.db2.gz LWRXTOSTNOXJIS-ZDUSSCGKSA-N 1 0 379.295 2.493 20 0 GEADRO COC[C@@](C)(O)CC[NH2+]Cc1ncc(Br)cc1Br ZINC000449387967 650039341 /nfs/dbraw/zinc/03/93/41/650039341.db2.gz YTJMIJQVGWFTKL-LBPRGKRZSA-N 1 0 382.096 2.484 20 0 GEADRO CCOC(=O)c1cc(C[NH2+]CCn2cc(Br)ccc2=O)[nH]c1C ZINC000449377971 650039519 /nfs/dbraw/zinc/03/95/19/650039519.db2.gz QADRWOKUZCXWDR-UHFFFAOYSA-N 1 0 382.258 2.214 20 0 GEADRO COc1cc(Br)c(CNC[C@H]2CCCC[N@@H+]2CCO)c(OC)c1 ZINC000449391006 650039881 /nfs/dbraw/zinc/03/98/81/650039881.db2.gz HIJLIPRSPXIMNQ-CYBMUJFWSA-N 1 0 387.318 2.403 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCCCN2CCO)c(Br)c1 ZINC000449398224 650040074 /nfs/dbraw/zinc/04/00/74/650040074.db2.gz TXNVMSGFNJXTDT-OAHLLOKOSA-N 1 0 385.302 2.172 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000449439893 650040849 /nfs/dbraw/zinc/04/08/49/650040849.db2.gz AXCARSXYQDHBFM-OCCSQVGLSA-N 1 0 375.922 2.283 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000449443116 650041064 /nfs/dbraw/zinc/04/10/64/650041064.db2.gz PNHYKNSUYRKTTR-HNNXBMFYSA-N 1 0 383.539 2.448 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000449444304 650041272 /nfs/dbraw/zinc/04/12/72/650041272.db2.gz ZTDUHQBYIUYARU-STQMWFEESA-N 1 0 375.332 2.224 20 0 GEADRO CC(=O)N1CCC([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449686850 650045551 /nfs/dbraw/zinc/04/55/51/650045551.db2.gz YHAGIXBFWRZGNJ-CQSZACIVSA-N 1 0 387.293 2.340 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1(CO)CC1 ZINC000449580671 650042926 /nfs/dbraw/zinc/04/29/26/650042926.db2.gz SPWIDGZUDXNVTJ-LBPRGKRZSA-N 1 0 385.302 2.215 20 0 GEADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449596916 650043207 /nfs/dbraw/zinc/04/32/07/650043207.db2.gz CUQXJSWOAORVAU-ABAIWWIYSA-N 1 0 387.293 2.386 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)CC(=O)N(C)C)cc1Br ZINC000449596504 650043231 /nfs/dbraw/zinc/04/32/31/650043231.db2.gz BOPUDJVZVGWCLF-GXTWGEPZSA-N 1 0 387.318 2.065 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)CC(=O)N(C)C)cc1Br ZINC000449596507 650043265 /nfs/dbraw/zinc/04/32/65/650043265.db2.gz BOPUDJVZVGWCLF-TZMCWYRMSA-N 1 0 387.318 2.065 20 0 GEADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1Br ZINC000449605103 650043894 /nfs/dbraw/zinc/04/38/94/650043894.db2.gz YVZNAPJDJHZHNF-CJNGLKHVSA-N 1 0 399.329 2.256 20 0 GEADRO COCCN(C)c1ccc(CNc2cc(N(C)C)c(Br)c[nH+]2)cn1 ZINC000449640433 650044532 /nfs/dbraw/zinc/04/45/32/650044532.db2.gz BCVDNOGAXGZOMQ-UHFFFAOYSA-N 1 0 394.317 3.000 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000449677190 650044946 /nfs/dbraw/zinc/04/49/46/650044946.db2.gz ACUGBSGAHSLQFG-BLLLJJGKSA-N 1 0 399.329 2.256 20 0 GEADRO O=C1CC[C@H]([NH+]2CCN(Cc3cc(F)ccc3Br)CC2)CCN1 ZINC000449699303 650046403 /nfs/dbraw/zinc/04/64/03/650046403.db2.gz OLIBZGJWUSIOJI-HNNXBMFYSA-N 1 0 384.293 2.375 20 0 GEADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000449722904 650047771 /nfs/dbraw/zinc/04/77/71/650047771.db2.gz QOVNIOQHTKGDPN-VXGBXAGGSA-N 1 0 395.834 2.251 20 0 GEADRO Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000449726488 650048044 /nfs/dbraw/zinc/04/80/44/650048044.db2.gz XMNIDCMKKJNMOG-AAEUAGOBSA-N 1 0 377.432 2.451 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000449729221 650048230 /nfs/dbraw/zinc/04/82/30/650048230.db2.gz ZBCIRXRLKXPHQY-PSASIEDQSA-N 1 0 384.221 2.025 20 0 GEADRO CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000449749978 650048945 /nfs/dbraw/zinc/04/89/45/650048945.db2.gz HNLVLXPJENRYDE-SMDDNHRTSA-N 1 0 380.286 2.059 20 0 GEADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000449754243 650048984 /nfs/dbraw/zinc/04/89/84/650048984.db2.gz QBMCNKQVGDJPDZ-FZMZJTMJSA-N 1 0 380.286 2.059 20 0 GEADRO CC[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1N)C(=O)NC ZINC000449767228 650049093 /nfs/dbraw/zinc/04/90/93/650049093.db2.gz AKFPJVRAVOXXFE-SNVBAGLBSA-N 1 0 379.096 2.408 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000449847844 650053682 /nfs/dbraw/zinc/05/36/82/650053682.db2.gz HKWOJCWYRJRDIX-XOKHGSTOSA-N 1 0 380.330 2.305 20 0 GEADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CCO1 ZINC000449879618 650055015 /nfs/dbraw/zinc/05/50/15/650055015.db2.gz INTKNPANOYHFSV-CYBMUJFWSA-N 1 0 378.270 2.400 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccsc2Br)CC1 ZINC000449839723 650052815 /nfs/dbraw/zinc/05/28/15/650052815.db2.gz DDFUXSLLMFVYRJ-UHFFFAOYSA-N 1 0 388.331 2.137 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNc2ncnc3cc(Br)ccc32)CC1 ZINC000450258814 650063189 /nfs/dbraw/zinc/06/31/89/650063189.db2.gz SZVVZSRYUXETRY-ZDUSSCGKSA-N 1 0 378.318 2.830 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000450734893 650069942 /nfs/dbraw/zinc/06/99/42/650069942.db2.gz XLTZLANJGPHIGY-QWRGUYRKSA-N 1 0 376.238 2.145 20 0 GEADRO O=C1CC[C@@H]([NH+]2CCN(c3ncc(Br)cc3Cl)CC2)CCN1 ZINC000450893617 650074423 /nfs/dbraw/zinc/07/44/23/650074423.db2.gz SFBOBVJFNPNQRJ-GFCCVEGCSA-N 1 0 387.709 2.288 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC000451090703 650085187 /nfs/dbraw/zinc/08/51/87/650085187.db2.gz UEBPTIFWJGUSOT-CYBMUJFWSA-N 1 0 387.293 2.436 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000451211907 650096981 /nfs/dbraw/zinc/09/69/81/650096981.db2.gz VIETZSSBVALUQV-XHSDSOJGSA-N 1 0 382.517 2.478 20 0 GEADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)CCc2scnc2C)CC1 ZINC000451275813 650099917 /nfs/dbraw/zinc/09/99/17/650099917.db2.gz SGMBFYBRARFYFY-UHFFFAOYSA-N 1 0 389.587 2.147 20 0 GEADRO Ic1cccc(C[C@H]2CC[N@H+](CCn3cncn3)C2)c1 ZINC000451190229 650094881 /nfs/dbraw/zinc/09/48/81/650094881.db2.gz KSYYNSMDHUDPST-CQSZACIVSA-N 1 0 382.249 2.447 20 0 GEADRO CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C(C)C ZINC000451310452 650102795 /nfs/dbraw/zinc/10/27/95/650102795.db2.gz HJWHQYOOGKYMRF-ZBFHGGJFSA-N 1 0 387.318 2.281 20 0 GEADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451314346 650103042 /nfs/dbraw/zinc/10/30/42/650103042.db2.gz OCPNFWOBCKVSFO-GFCCVEGCSA-N 1 0 379.295 2.444 20 0 GEADRO Cc1csc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000451341774 650105233 /nfs/dbraw/zinc/10/52/33/650105233.db2.gz LTLJHLCIDURDET-IAGOWNOFSA-N 1 0 380.535 2.218 20 0 GEADRO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C2(CCCC2)CN1C[C@H](O)C(F)(F)F ZINC000451349916 650106007 /nfs/dbraw/zinc/10/60/07/650106007.db2.gz ZVLMUSKSYGHFTC-GRYCIOLGSA-N 1 0 378.357 2.152 20 0 GEADRO CO[C@H](CS(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1)c1ccccc1 ZINC000451414123 650111936 /nfs/dbraw/zinc/11/19/36/650111936.db2.gz ZUYYKEWJHSIAPL-KURKYZTESA-N 1 0 384.567 2.216 20 0 GEADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C ZINC000451453348 650116081 /nfs/dbraw/zinc/11/60/81/650116081.db2.gz ODORDNYSXHZBHF-UHFFFAOYSA-N 1 0 376.906 2.397 20 0 GEADRO CC[C@@H]1C[N@H+](CC)CCN1Cc1nnnn1-c1ccccc1Br ZINC000451730565 650136594 /nfs/dbraw/zinc/13/65/94/650136594.db2.gz PEANGMFNXQEAGA-CYBMUJFWSA-N 1 0 379.306 2.341 20 0 GEADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451914392 650153144 /nfs/dbraw/zinc/15/31/44/650153144.db2.gz UKJAOJBZZDAMGP-OSMZGAPFSA-N 1 0 398.219 2.434 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC000452047920 650168904 /nfs/dbraw/zinc/16/89/04/650168904.db2.gz LPTUQCLYQQPYIN-UHFFFAOYSA-N 1 0 387.977 2.218 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000452101407 650173477 /nfs/dbraw/zinc/17/34/77/650173477.db2.gz GLRFYQJCDPASDL-GFCCVEGCSA-N 1 0 381.420 2.126 20 0 GEADRO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c(=O)n1C ZINC000452175072 650176866 /nfs/dbraw/zinc/17/68/66/650176866.db2.gz RNNYZIROPMQYRO-NSHDSACASA-N 1 0 382.302 2.013 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452380468 650183502 /nfs/dbraw/zinc/18/35/02/650183502.db2.gz GORXPZFMQGEPBH-INIZCTEOSA-N 1 0 399.329 2.353 20 0 GEADRO C[C@@H](Cc1cnccn1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000453202416 650206745 /nfs/dbraw/zinc/20/67/45/650206745.db2.gz AGGOZLYJCRMSDX-NSHDSACASA-N 1 0 389.308 2.283 20 0 GEADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000453214051 650206982 /nfs/dbraw/zinc/20/69/82/650206982.db2.gz DLKPBJIYWFYCAB-MRXNPFEDSA-N 1 0 384.933 2.438 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453399097 650208868 /nfs/dbraw/zinc/20/88/68/650208868.db2.gz ASMIRCAPAJUMSL-JFGNBEQYSA-N 1 0 377.304 2.315 20 0 GEADRO C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453385906 650208930 /nfs/dbraw/zinc/20/89/30/650208930.db2.gz VFAQEONRHGSKJH-ZANVPECISA-N 1 0 377.304 2.172 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000453565379 650209124 /nfs/dbraw/zinc/20/91/24/650209124.db2.gz JAUYJJOSUZZOSV-ZDUSSCGKSA-N 1 0 385.306 2.184 20 0 GEADRO C[C@@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCC(=O)N1 ZINC000453581664 650209403 /nfs/dbraw/zinc/20/94/03/650209403.db2.gz AKCUGLJZVVTALF-KRWDZBQOSA-N 1 0 382.302 2.044 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C[C@@H]1[NH+](C)C ZINC000453684571 650215273 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C[C@@H]1CCC[C@](CNC(=O)NCc2nn(C)cc2Br)([NH+](C)C)C1 ZINC000454631171 650273955 /nfs/dbraw/zinc/27/39/55/650273955.db2.gz MSNYHSMQRJPGDJ-WBMJQRKESA-N 1 0 386.338 2.492 20 0 GEADRO O=C(c1ccc(I)cn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000455513816 650307034 /nfs/dbraw/zinc/30/70/34/650307034.db2.gz FQJQIKQALVIMMM-CYBMUJFWSA-N 1 0 385.249 2.387 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(I)cn1 ZINC000455551617 650307495 /nfs/dbraw/zinc/30/74/95/650307495.db2.gz KEFJDFKLRQKWPA-GFCCVEGCSA-N 1 0 385.249 2.433 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000455699897 650313138 /nfs/dbraw/zinc/31/31/38/650313138.db2.gz JZRLTSRWTWRSKG-NWDGAFQWSA-N 1 0 380.436 2.153 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nnc3ccc(Br)cn32)C[C@H]1C ZINC000455766607 650317418 /nfs/dbraw/zinc/31/74/18/650317418.db2.gz VRPOEEBVOKMQHS-YPMHNXCESA-N 1 0 395.305 2.828 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455852059 650322005 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COc1ccc(C[C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)cc1Br ZINC000456506884 650344824 /nfs/dbraw/zinc/34/48/24/650344824.db2.gz WBOPZRGLDLZQDX-CQSZACIVSA-N 1 0 399.329 2.067 20 0 GEADRO CC[C@H](C)[NH+]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000456543874 650347781 /nfs/dbraw/zinc/34/77/81/650347781.db2.gz FQJVHADQMROVQR-LBPRGKRZSA-N 1 0 386.290 2.057 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C)c(Br)cc2F)CC1 ZINC000500241488 650373720 /nfs/dbraw/zinc/37/37/20/650373720.db2.gz RSCLLZHRRZCFMB-UHFFFAOYSA-N 1 0 386.265 2.389 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000500458536 650377615 /nfs/dbraw/zinc/37/76/15/650377615.db2.gz DHJIKHMLEQDUKP-OAHLLOKOSA-N 1 0 389.924 2.270 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000500494115 650379556 /nfs/dbraw/zinc/37/95/56/650379556.db2.gz ZMVXGWBVEVMMFF-UKRRQHHQSA-N 1 0 388.917 2.309 20 0 GEADRO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C(C)(C)C1 ZINC000500494635 650379565 /nfs/dbraw/zinc/37/95/65/650379565.db2.gz QQIXNUGTXXUTAA-CYBMUJFWSA-N 1 0 394.313 2.355 20 0 GEADRO O=C(NCCc1ccc(Br)s1)NC[C@H]1CCCC[N@H+]1CCO ZINC000457568427 650381209 /nfs/dbraw/zinc/38/12/09/650381209.db2.gz HRPWJTMWPFQWBL-GFCCVEGCSA-N 1 0 390.347 2.199 20 0 GEADRO Cc1nn2cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cnc2c1Cl ZINC000500933525 650384883 /nfs/dbraw/zinc/38/48/83/650384883.db2.gz DAQHHSDCPMHQOK-ZDUSSCGKSA-N 1 0 387.937 2.336 20 0 GEADRO OC[C@H]1CSCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000501530084 650394039 /nfs/dbraw/zinc/39/40/39/650394039.db2.gz FYFVMWVUFWLKCK-ZDUSSCGKSA-N 1 0 393.290 2.470 20 0 GEADRO CC(C)OC[C@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000501449703 650392338 /nfs/dbraw/zinc/39/23/38/650392338.db2.gz ZNTOWMJEIKTOIV-JSGCOSHPSA-N 1 0 393.265 2.434 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000458021817 650392630 /nfs/dbraw/zinc/39/26/30/650392630.db2.gz UBJGSYMDZJBBSA-UHFFFAOYSA-N 1 0 386.290 2.360 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000458118925 650395983 /nfs/dbraw/zinc/39/59/83/650395983.db2.gz VSXVEYZSCIGMBL-CYBMUJFWSA-N 1 0 388.281 2.234 20 0 GEADRO CC(C)[C@H](CNC(=O)NCCn1cc(Br)ccc1=O)[NH+]1CCCC1 ZINC000458290330 650399602 /nfs/dbraw/zinc/39/96/02/650399602.db2.gz ATPPJIPJQLHYBR-HNNXBMFYSA-N 1 0 399.333 2.030 20 0 GEADRO CSc1ccc([C@H](CNC(=O)NCCN2CCSCC2)[NH+](C)C)cc1 ZINC000458387012 650401576 /nfs/dbraw/zinc/40/15/76/650401576.db2.gz OJDOJVJOBZBVPW-KRWDZBQOSA-N 1 0 382.599 2.359 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000458438577 650403728 /nfs/dbraw/zinc/40/37/28/650403728.db2.gz QEPZTRGRVWRWGM-HOCLYGCPSA-N 1 0 397.317 2.411 20 0 GEADRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(CCNC(C)=O)s1)[NH+](C)C ZINC000502667624 650409862 /nfs/dbraw/zinc/40/98/62/650409862.db2.gz QDNWKSTXYAKNNG-INIZCTEOSA-N 1 0 389.587 2.071 20 0 GEADRO CN(C(=O)NCCOCC[NH+](C)C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000502603341 650408862 /nfs/dbraw/zinc/40/88/62/650408862.db2.gz NGXQTFMETXYUNT-HZPDHXFCSA-N 1 0 390.311 2.171 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000458709774 650408852 /nfs/dbraw/zinc/40/88/52/650408852.db2.gz ULUZJLHWBOXYTR-AWEZNQCLSA-N 1 0 397.317 2.194 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000503223652 650416375 /nfs/dbraw/zinc/41/63/75/650416375.db2.gz OCZHRKIGNCMNLH-STQMWFEESA-N 1 0 397.335 2.254 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000503221411 650416433 /nfs/dbraw/zinc/41/64/33/650416433.db2.gz JRTNBAIHJXZAOQ-UONOGXRCSA-N 1 0 393.372 2.424 20 0 GEADRO CC(=O)NCC[N@@H+](CCc1cnn(C)c1)Cc1ccc(Br)s1 ZINC000503255485 650416598 /nfs/dbraw/zinc/41/65/98/650416598.db2.gz ICAYVSAIRZOLOK-UHFFFAOYSA-N 1 0 385.331 2.425 20 0 GEADRO CCOC[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C(C)C ZINC000503438751 650417374 /nfs/dbraw/zinc/41/73/74/650417374.db2.gz UHIWTGJOVOBPDK-OAHLLOKOSA-N 1 0 376.906 2.333 20 0 GEADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000503445025 650417669 /nfs/dbraw/zinc/41/76/69/650417669.db2.gz BBYDPOJMXDTTTB-HUUCEWRRSA-N 1 0 381.567 2.296 20 0 GEADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000459055619 650418392 /nfs/dbraw/zinc/41/83/92/650418392.db2.gz FRRDSKZKFWZUSP-XJKSGUPXSA-N 1 0 388.281 2.187 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000459055789 650418416 /nfs/dbraw/zinc/41/84/16/650418416.db2.gz JHIQELXGZBBXDW-NHYWBVRUSA-N 1 0 388.306 2.083 20 0 GEADRO CC[NH+](CC)CCN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000503504547 650418666 /nfs/dbraw/zinc/41/86/66/650418666.db2.gz RWULARVSPNFYDH-OAHLLOKOSA-N 1 0 380.501 2.169 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503517191 650419125 /nfs/dbraw/zinc/41/91/25/650419125.db2.gz DKADXUONDSEMSD-UHFFFAOYSA-N 1 0 391.256 2.233 20 0 GEADRO CC[C@@H]1CN(C(=O)NCCc2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000459145431 650419409 /nfs/dbraw/zinc/41/94/09/650419409.db2.gz HPRGPNJWXFEKIU-WMLDXEAASA-N 1 0 398.345 2.478 20 0 GEADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000503544323 650419423 /nfs/dbraw/zinc/41/94/23/650419423.db2.gz ZCRLDONZEZZRAO-LSDHHAIUSA-N 1 0 380.501 2.169 20 0 GEADRO Cc1cc(CNC(=O)N2CCC([N@H+](C)CCO)CC2)ccc1Br ZINC000459175657 650420489 /nfs/dbraw/zinc/42/04/89/650420489.db2.gz LELZVAQESZKUKV-UHFFFAOYSA-N 1 0 384.318 2.356 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000503687571 650421451 /nfs/dbraw/zinc/42/14/51/650421451.db2.gz GHFWPFYZOJQABG-UHFFFAOYSA-N 1 0 398.320 2.374 20 0 GEADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cccc(O)c2Br)CC1 ZINC000459346503 650422912 /nfs/dbraw/zinc/42/29/12/650422912.db2.gz XBFWRYSWPQKMSI-UHFFFAOYSA-N 1 0 384.318 2.141 20 0 GEADRO CCOc1cc(C[N@H+](C)C2CCN(CCO)CC2)cc(Br)c1O ZINC000459337490 650422914 /nfs/dbraw/zinc/42/29/14/650422914.db2.gz QQPIOLONWGJQQA-UHFFFAOYSA-N 1 0 387.318 2.442 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)[C@H]1SC ZINC000459450050 650424863 /nfs/dbraw/zinc/42/48/63/650424863.db2.gz OAPHPZFJGGQOAR-UMVBOHGHSA-N 1 0 378.585 2.142 20 0 GEADRO O=C(Cc1c(F)ccc(Br)c1F)NCCCC[NH+]1CCOCC1 ZINC000503988775 650425083 /nfs/dbraw/zinc/42/50/83/650425083.db2.gz FQGNNXCSDNKKCP-UHFFFAOYSA-N 1 0 391.256 2.498 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1cnc(C2CC2)nc1)c1ccc(Cl)cc1F ZINC000459537237 650427628 /nfs/dbraw/zinc/42/76/28/650427628.db2.gz SZJNGIJLOHPQSG-UHFFFAOYSA-N 1 0 384.864 2.215 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H](C)C1 ZINC000504139592 650427660 /nfs/dbraw/zinc/42/76/60/650427660.db2.gz FUGMPSIFHPDRDY-UWWPHRKUSA-N 1 0 396.329 2.402 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000504302225 650429731 /nfs/dbraw/zinc/42/97/31/650429731.db2.gz JMIQVJKAOVLFKI-OAHLLOKOSA-N 1 0 382.302 2.026 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459703936 650430064 /nfs/dbraw/zinc/43/00/64/650430064.db2.gz LSYYAYRBNVMWSE-GUYCJALGSA-N 1 0 380.286 2.037 20 0 GEADRO O=C(C[NH2+]C1(CO)CCSCC1)Nc1ccc(Br)cc1F ZINC000459702991 650430163 /nfs/dbraw/zinc/43/01/63/650430163.db2.gz DSCCZXQRQJLHJD-UHFFFAOYSA-N 1 0 377.279 2.374 20 0 GEADRO COc1c(Br)cccc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459716688 650431309 /nfs/dbraw/zinc/43/13/09/650431309.db2.gz QKDNJZIPFGNFKN-UHFFFAOYSA-N 1 0 399.329 2.429 20 0 GEADRO O=S(=O)(CC[NH2+]C1(CO)CCSCC1)c1ccc(Br)cc1 ZINC000459717669 650431328 /nfs/dbraw/zinc/43/13/28/650431328.db2.gz UAMCKKKNQGMHSJ-UHFFFAOYSA-N 1 0 394.356 2.071 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](CO)c1ccnn1C ZINC000459716891 650431349 /nfs/dbraw/zinc/43/13/49/650431349.db2.gz QEKLDYISMDOUQX-RISCZKNCSA-N 1 0 381.274 2.223 20 0 GEADRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C12CCC2 ZINC000459780545 650432529 /nfs/dbraw/zinc/43/25/29/650432529.db2.gz XVZGCCUOYNSTNB-CABCVRRESA-N 1 0 386.901 2.229 20 0 GEADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459939538 650436189 /nfs/dbraw/zinc/43/61/89/650436189.db2.gz VZAPWRXEFSWZKJ-UHFFFAOYSA-N 1 0 398.301 2.087 20 0 GEADRO CCCCc1nnc(NC(=O)CN2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)s1 ZINC000460356441 650441927 /nfs/dbraw/zinc/44/19/27/650441927.db2.gz ZZAPYBOOGSKQMS-ZIAGYGMSSA-N 1 0 383.587 2.331 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CNC(=O)c3ccc(Br)cc3)C2)C1 ZINC000505668588 650439829 /nfs/dbraw/zinc/43/98/29/650439829.db2.gz JFHYHUZCAFUKKW-SFHVURJKSA-N 1 0 394.313 2.123 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000460272285 650440970 /nfs/dbraw/zinc/44/09/70/650440970.db2.gz WUZJNSYKCXFNGG-KRWDZBQOSA-N 1 0 384.318 2.093 20 0 GEADRO CC[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)Cc1cccc(Br)c1 ZINC000460272569 650441234 /nfs/dbraw/zinc/44/12/34/650441234.db2.gz ZDXYQKKIHYNFRH-KSSFIOAISA-N 1 0 398.345 2.384 20 0 GEADRO COCC[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000506644129 650448271 /nfs/dbraw/zinc/44/82/71/650448271.db2.gz ANFBPRFKVWMEPA-GFCCVEGCSA-N 1 0 379.320 2.132 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000461219720 650450977 /nfs/dbraw/zinc/45/09/77/650450977.db2.gz RZIYHYWEXCZRNS-UHFFFAOYSA-N 1 0 384.318 2.239 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000506943352 650452302 /nfs/dbraw/zinc/45/23/02/650452302.db2.gz FOECZWYNBPWLJQ-UHFFFAOYSA-N 1 0 380.432 2.270 20 0 GEADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1Br ZINC000461893031 650461716 /nfs/dbraw/zinc/46/17/16/650461716.db2.gz CRFWCTWXMPIAFQ-WCQYABFASA-N 1 0 377.279 2.255 20 0 GEADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCCN1CC(F)(F)F ZINC000461896747 650462086 /nfs/dbraw/zinc/46/20/86/650462086.db2.gz AASZSTSUIXWBLG-AWEZNQCLSA-N 1 0 379.492 2.491 20 0 GEADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000461980272 650463375 /nfs/dbraw/zinc/46/33/75/650463375.db2.gz BDVPEJJGCCNOLR-GXTWGEPZSA-N 1 0 386.323 2.451 20 0 GEADRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(Br)c1 ZINC000462047533 650464902 /nfs/dbraw/zinc/46/49/02/650464902.db2.gz OXZKHQBDBFBIMZ-IUODEOHRSA-N 1 0 382.302 2.009 20 0 GEADRO CC(C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)s1)N1CC[NH+](C)CC1 ZINC000462105429 650468901 /nfs/dbraw/zinc/46/89/01/650468901.db2.gz UFZOYCVRLBIASP-LBPRGKRZSA-N 1 0 399.504 2.317 20 0 GEADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2sc(C(F)(F)F)nc2C)CC1 ZINC000462171269 650472471 /nfs/dbraw/zinc/47/24/71/650472471.db2.gz NQHGNHRUWJSSNF-NSHDSACASA-N 1 0 378.464 2.474 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000508418077 650480209 /nfs/dbraw/zinc/48/02/09/650480209.db2.gz PBEVPQLMKZIPLQ-UHFFFAOYSA-N 1 0 386.290 2.058 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2cccc(F)c2)N(C)C)cs1 ZINC000462470738 650480998 /nfs/dbraw/zinc/48/09/98/650480998.db2.gz FYIXQTNQQDDNIB-CQSZACIVSA-N 1 0 386.470 2.255 20 0 GEADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)CC[N@@H+]1C ZINC000462501649 650482209 /nfs/dbraw/zinc/48/22/09/650482209.db2.gz LAAJEJUQECYVOL-IUCAKERBSA-N 1 0 383.258 2.488 20 0 GEADRO CSC1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CC[NH+](C)CC1 ZINC000462507819 650482269 /nfs/dbraw/zinc/48/22/69/650482269.db2.gz VJLUFCLYTSTRMI-CHWSQXEVSA-N 1 0 383.480 2.016 20 0 GEADRO C[NH+](C)CCNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000508974003 650485008 /nfs/dbraw/zinc/48/50/08/650485008.db2.gz ZQIJPNRMURKGRC-UHFFFAOYSA-N 1 0 381.645 2.305 20 0 GEADRO CSc1cccc(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000509205136 650489928 /nfs/dbraw/zinc/48/99/28/650489928.db2.gz ZZONBRCJEAMRIU-YJBOKZPZSA-N 1 0 383.583 2.055 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)s1 ZINC000463291881 650492964 /nfs/dbraw/zinc/49/29/64/650492964.db2.gz PWROJEDOYVHFBQ-UHFFFAOYSA-N 1 0 387.571 2.316 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(Br)cc1OCCCO ZINC000463360485 650494271 /nfs/dbraw/zinc/49/42/71/650494271.db2.gz IYQLDZQRNLDBSL-GFCCVEGCSA-N 1 0 385.302 2.482 20 0 GEADRO C[C@H]1C[C@H](NC(=O)NCc2cn3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000465704758 650498876 /nfs/dbraw/zinc/49/88/76/650498876.db2.gz KJZAKDYOCPYJBN-WCQYABFASA-N 1 0 380.290 2.379 20 0 GEADRO CC[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)Cc1cccc(Br)c1 ZINC000509682376 650498903 /nfs/dbraw/zinc/49/89/03/650498903.db2.gz OBUVKBWDLGQXBT-GUYCJALGSA-N 1 0 398.345 2.234 20 0 GEADRO CCC[C@H]([NH2+]C(C)C)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000509966305 650504608 /nfs/dbraw/zinc/50/46/08/650504608.db2.gz GPKMXZOMZURIAE-HNNXBMFYSA-N 1 0 389.949 2.291 20 0 GEADRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnnn1CC[NH+](C)C ZINC000510069641 650506164 /nfs/dbraw/zinc/50/61/64/650506164.db2.gz DJZMRTYQHSXFKK-SNVBAGLBSA-N 1 0 384.893 2.016 20 0 GEADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510081834 650506599 /nfs/dbraw/zinc/50/65/99/650506599.db2.gz BPFPXVJFFHNNCP-CQSZACIVSA-N 1 0 393.912 2.040 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)[C@H]1CCCOC1 ZINC000510093553 650506662 /nfs/dbraw/zinc/50/66/62/650506662.db2.gz IIHJYPALZSISFH-HNNXBMFYSA-N 1 0 385.302 2.397 20 0 GEADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1cccc(Br)c1 ZINC000510096255 650506703 /nfs/dbraw/zinc/50/67/03/650506703.db2.gz AGOSIILWURQGGJ-JTQLQIEISA-N 1 0 399.318 2.117 20 0 GEADRO C[C@H]1C[NH+](CCCNCc2ncc(I)s2)C[C@H](C)O1 ZINC000510253416 650509354 /nfs/dbraw/zinc/50/93/54/650509354.db2.gz HKKKGRIEYTUMBY-QWRGUYRKSA-N 1 0 395.310 2.337 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Br ZINC000510781429 650518915 /nfs/dbraw/zinc/51/89/15/650518915.db2.gz UBMYFJAVEMDZLK-KGLIPLIRSA-N 1 0 391.331 2.408 20 0 GEADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)[N@@H+]1CCCC[C@@H]1C ZINC000510820276 650519602 /nfs/dbraw/zinc/51/96/02/650519602.db2.gz IOZIQXADMMTUNS-RYUDHWBXSA-N 1 0 393.962 2.059 20 0 GEADRO Cn1ncc2c1CCC[C@H]2[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510927175 650521112 /nfs/dbraw/zinc/52/11/12/650521112.db2.gz GQLAFEZJAWFBGK-CQSZACIVSA-N 1 0 386.880 2.158 20 0 GEADRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000511129106 650527639 /nfs/dbraw/zinc/52/76/39/650527639.db2.gz ZZDDDOJRHBFIDH-ZDUSSCGKSA-N 1 0 384.527 2.087 20 0 GEADRO C[NH+](C)C[C@H]1CN(Cc2c(F)ccc(I)c2F)CCO1 ZINC000474105630 650527668 /nfs/dbraw/zinc/52/76/68/650527668.db2.gz LGCMVGKKPMSLKM-JTQLQIEISA-N 1 0 396.219 2.332 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(Br)o2)C[C@H]1C ZINC000474117477 650528250 /nfs/dbraw/zinc/52/82/50/650528250.db2.gz XWLBTDNIUAQTHQ-VXGBXAGGSA-N 1 0 386.290 2.103 20 0 GEADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000475393210 650532669 /nfs/dbraw/zinc/53/26/69/650532669.db2.gz BWKXYSGUCUGJJT-UHFFFAOYSA-N 1 0 384.267 2.186 20 0 GEADRO O=C(c1ncccc1Br)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000475435657 650533263 /nfs/dbraw/zinc/53/32/63/650533263.db2.gz VYCQGGJWANKJCI-UHFFFAOYSA-N 1 0 382.302 2.419 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cc(F)c(F)cc1Br ZINC000511399532 650535885 /nfs/dbraw/zinc/53/58/85/650535885.db2.gz JSAPZQBXTRNLFF-UHFFFAOYSA-N 1 0 392.244 2.249 20 0 GEADRO C[C@]1(C(N)=O)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000475674919 650536048 /nfs/dbraw/zinc/53/60/48/650536048.db2.gz LRYBIEONDWMING-HNNXBMFYSA-N 1 0 388.249 2.257 20 0 GEADRO CC[N@@H+]1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000511545027 650538543 /nfs/dbraw/zinc/53/85/43/650538543.db2.gz HYXFDMBTNNRLKS-OAHLLOKOSA-N 1 0 398.345 2.312 20 0 GEADRO NS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000511599893 650539167 /nfs/dbraw/zinc/53/91/67/650539167.db2.gz SNJLTIXQGQJKMO-NSHDSACASA-N 1 0 394.324 2.323 20 0 GEADRO Cn1cc(C(=O)NCCCN2CC[NH+](C)CC2)c(-c2ccc(Cl)s2)n1 ZINC000476030980 650543655 /nfs/dbraw/zinc/54/36/55/650543655.db2.gz GVRXGQBFIJDPIL-UHFFFAOYSA-N 1 0 381.933 2.169 20 0 GEADRO OCC[C@H]([NH2+]Cc1ncc(I)s1)C1CCOCC1 ZINC000511989357 650543691 /nfs/dbraw/zinc/54/36/91/650543691.db2.gz LGFRTLIUIWHAAJ-JTQLQIEISA-N 1 0 382.267 2.015 20 0 GEADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000476464556 650550680 /nfs/dbraw/zinc/55/06/80/650550680.db2.gz UUEULQCRGLPDKP-GDBMZVCRSA-N 1 0 399.329 2.425 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000512120260 650545629 /nfs/dbraw/zinc/54/56/29/650545629.db2.gz FUUIXKXELSQXGM-IOASZLSFSA-N 1 0 381.929 2.406 20 0 GEADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000512310615 650546147 /nfs/dbraw/zinc/54/61/47/650546147.db2.gz RSJBTUHSCBFZOM-UHFFFAOYSA-N 1 0 386.290 2.041 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2CCSC2)[C@H]1c1cccs1 ZINC000512774665 650554153 /nfs/dbraw/zinc/55/41/53/650554153.db2.gz YYVCXHRPGWFLST-FMKPAKJESA-N 1 0 381.567 2.117 20 0 GEADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C[C@H](C)[N@H+]1C ZINC000513075946 650557616 /nfs/dbraw/zinc/55/76/16/650557616.db2.gz MUZUUHQCDIVRII-UHIISALHSA-N 1 0 380.286 2.426 20 0 GEADRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ncc(CN(C)C)s2)s1 ZINC000513090497 650557742 /nfs/dbraw/zinc/55/77/42/650557742.db2.gz UWKLJDDENMYNLX-QWRGUYRKSA-N 1 0 382.559 2.372 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000476798158 650559971 /nfs/dbraw/zinc/55/99/71/650559971.db2.gz UZYUZIBHGGZVAT-LLVKDONJSA-N 1 0 388.281 2.051 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000477003446 650565622 /nfs/dbraw/zinc/56/56/22/650565622.db2.gz ASJWMXCTNPSHNI-CHWSQXEVSA-N 1 0 384.318 2.473 20 0 GEADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000477197714 650571543 /nfs/dbraw/zinc/57/15/43/650571543.db2.gz YIAHAADFJZPJMO-BETUJISGSA-N 1 0 385.302 2.313 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 ZINC000514608279 650574977 /nfs/dbraw/zinc/57/49/77/650574977.db2.gz NBLJZZIIQUWCSI-LBPRGKRZSA-N 1 0 382.404 2.288 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1Cl ZINC000514672409 650576270 /nfs/dbraw/zinc/57/62/70/650576270.db2.gz OXQVJXSLJIVPAS-YGRLFVJLSA-N 1 0 397.324 2.376 20 0 GEADRO COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000514673972 650576522 /nfs/dbraw/zinc/57/65/22/650576522.db2.gz MRBOIZCPXLSYBW-MFKMUULPSA-N 1 0 397.191 2.233 20 0 GEADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CCN2C1=O ZINC000514799262 650579719 /nfs/dbraw/zinc/57/97/19/650579719.db2.gz QHXNJNIGQMNCLM-CABZTGNLSA-N 1 0 376.766 2.135 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514847775 650580651 /nfs/dbraw/zinc/58/06/51/650580651.db2.gz KFFNTDGZINRFLA-QGZVFWFLSA-N 1 0 380.286 2.298 20 0 GEADRO O=C(NCCCN1CC[NH2+]CC1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000514870273 650582090 /nfs/dbraw/zinc/58/20/90/650582090.db2.gz YIFXUNUTEXXRBR-UHFFFAOYSA-N 1 0 383.265 2.095 20 0 GEADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1csnc1C(=O)OC ZINC000514884532 650582634 /nfs/dbraw/zinc/58/26/34/650582634.db2.gz KNRCTVGOCSGOIA-UHFFFAOYSA-N 1 0 389.543 2.206 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO1 ZINC000478619416 650588762 /nfs/dbraw/zinc/58/87/62/650588762.db2.gz KKQFZBOEAGUTSJ-JTQLQIEISA-N 1 0 392.321 2.072 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000478635030 650589146 /nfs/dbraw/zinc/58/91/46/650589146.db2.gz UTEKEACWHCQVIX-CYBMUJFWSA-N 1 0 382.302 2.360 20 0 GEADRO NC(=O)CC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000515234573 650590160 /nfs/dbraw/zinc/59/01/60/650590160.db2.gz KLCIZABDCOLVHX-NSHDSACASA-N 1 0 391.693 2.087 20 0 GEADRO Cc1ccc(NC(=O)CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000515352207 650592364 /nfs/dbraw/zinc/59/23/64/650592364.db2.gz JWMIWVUGRUJIGY-CQSZACIVSA-N 1 0 396.329 2.383 20 0 GEADRO C[C@@H]([NH2+]CCN1CCSCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479064089 650595393 /nfs/dbraw/zinc/59/53/93/650595393.db2.gz GCLXBKUFJJDBDR-SNVBAGLBSA-N 1 0 398.381 2.340 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CCC1 ZINC000516563517 650598944 /nfs/dbraw/zinc/59/89/44/650598944.db2.gz JYHHGINYJGPGCO-UHFFFAOYSA-N 1 0 389.315 2.335 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000517025240 650601971 /nfs/dbraw/zinc/60/19/71/650601971.db2.gz XWDJVVSAIZMSAJ-MRXNPFEDSA-N 1 0 392.297 2.001 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000517025239 650601978 /nfs/dbraw/zinc/60/19/78/650601978.db2.gz XWDJVVSAIZMSAJ-INIZCTEOSA-N 1 0 392.297 2.001 20 0 GEADRO CCn1c(SC[C@H](O)C[N@H+](C)CCOC)nc2sc(C)c(C)c2c1=O ZINC000518396217 650604256 /nfs/dbraw/zinc/60/42/56/650604256.db2.gz AGQIRNAPPVKGIG-CYBMUJFWSA-N 1 0 385.555 2.126 20 0 GEADRO COc1c(Br)cccc1CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000479557997 650606559 /nfs/dbraw/zinc/60/65/59/650606559.db2.gz ZMRVCBTXLGMALA-AWEZNQCLSA-N 1 0 384.318 2.135 20 0 GEADRO Nc1cc[nH+]cc1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000518777124 650607515 /nfs/dbraw/zinc/60/75/15/650607515.db2.gz SEAPYPFPVQFDHO-UHFFFAOYSA-N 1 0 391.269 2.023 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1cccs1)C1CCCCC1 ZINC000518783302 650607647 /nfs/dbraw/zinc/60/76/47/650607647.db2.gz GNZSTDXXCFJCFS-HNNXBMFYSA-N 1 0 387.571 2.043 20 0 GEADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000479761337 650609410 /nfs/dbraw/zinc/60/94/10/650609410.db2.gz AWVRLFNFRFPYET-LLVKDONJSA-N 1 0 386.411 2.380 20 0 GEADRO CC[C@H](C)NC(=O)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000519637750 650610487 /nfs/dbraw/zinc/61/04/87/650610487.db2.gz KBPFCNUHIZRROM-LBPRGKRZSA-N 1 0 391.331 2.117 20 0 GEADRO CCOc1cc(C[NH2+][C@H]2CCc3nnnn3CC2)cc(Br)c1OC ZINC000520214529 650613928 /nfs/dbraw/zinc/61/39/28/650613928.db2.gz GWBLJHCWRZBHER-LBPRGKRZSA-N 1 0 396.289 2.338 20 0 GEADRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc([S@](C)=O)cc1 ZINC000519707114 650611117 /nfs/dbraw/zinc/61/11/17/650611117.db2.gz BCXOIXDXNIQHBQ-ZDVXSHRPSA-N 1 0 379.503 2.310 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000479916214 650612798 /nfs/dbraw/zinc/61/27/98/650612798.db2.gz RTIMFZFOVWBPAG-UHFFFAOYSA-N 1 0 382.346 2.478 20 0 GEADRO Cc1c(Br)cccc1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000480031354 650615013 /nfs/dbraw/zinc/61/50/13/650615013.db2.gz WMXSGACSSITCPX-HNNXBMFYSA-N 1 0 396.329 2.004 20 0 GEADRO C[C@@H]1COCCN1CCNC(=O)Nc1cccc(I)c1 ZINC000520592618 650615260 /nfs/dbraw/zinc/61/52/60/650615260.db2.gz BEKCYUUHRYJXHQ-LLVKDONJSA-N 1 0 389.237 2.133 20 0 GEADRO CN(C)C(=O)CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480158942 650616514 /nfs/dbraw/zinc/61/65/14/650616514.db2.gz ANSFFPRPXKZDEV-CYBMUJFWSA-N 1 0 389.315 2.126 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000480259934 650618656 /nfs/dbraw/zinc/61/86/56/650618656.db2.gz UPCSXCWTTJGZMA-KGLIPLIRSA-N 1 0 398.345 2.343 20 0 GEADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc(Br)o1 ZINC000480303980 650619428 /nfs/dbraw/zinc/61/94/28/650619428.db2.gz GKEDCPZGVWCWPU-INIZCTEOSA-N 1 0 394.313 2.421 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000480427645 650621641 /nfs/dbraw/zinc/62/16/41/650621641.db2.gz RUBGHVFDXQQGBD-AAEUAGOBSA-N 1 0 382.452 2.023 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000480427648 650621654 /nfs/dbraw/zinc/62/16/54/650621654.db2.gz RUBGHVFDXQQGBD-YPMHNXCESA-N 1 0 382.452 2.023 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000480571140 650624782 /nfs/dbraw/zinc/62/47/82/650624782.db2.gz HFFFERPMQOCXQG-NEPJUHHUSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C[C@@H](C)O1 ZINC000522712182 650626947 /nfs/dbraw/zinc/62/69/47/650626947.db2.gz GSCPZSKQWFGYNP-UTUOFQBUSA-N 1 0 378.357 2.273 20 0 GEADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000480678427 650627783 /nfs/dbraw/zinc/62/77/83/650627783.db2.gz STEXMUSGHHTSOH-NSHDSACASA-N 1 0 391.331 2.393 20 0 GEADRO CC(C)(CNS(=O)(=O)c1ccc(Br)cn1)C[NH+]1CCCC1 ZINC000480785793 650632184 /nfs/dbraw/zinc/63/21/84/650632184.db2.gz JSXPTJHUQMCIFO-UHFFFAOYSA-N 1 0 376.320 2.244 20 0 GEADRO CSCCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000523066369 650631232 /nfs/dbraw/zinc/63/12/32/650631232.db2.gz LFLNIZLYBQCSHQ-UHFFFAOYSA-N 1 0 381.567 2.433 20 0 GEADRO CCOCCOC[C@H](O)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000480911326 650637308 /nfs/dbraw/zinc/63/73/08/650637308.db2.gz NULNWNJAKMYCKE-MRXNPFEDSA-N 1 0 386.286 2.229 20 0 GEADRO CCOCCOC[C@@H](O)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000480911325 650637363 /nfs/dbraw/zinc/63/73/63/650637363.db2.gz NULNWNJAKMYCKE-INIZCTEOSA-N 1 0 386.286 2.229 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1n[nH]cc1Br)c1cccc(F)c1 ZINC000524139927 650638865 /nfs/dbraw/zinc/63/88/65/650638865.db2.gz GVBRGEPLOMAYRJ-CQSZACIVSA-N 1 0 384.253 2.413 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCc2ccccc2Br)C1 ZINC000524272556 650639910 /nfs/dbraw/zinc/63/99/10/650639910.db2.gz CJIDAXBHYIMCSQ-HNNXBMFYSA-N 1 0 396.329 2.085 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)Cc2ccc(Br)cc2)CCSC1 ZINC000481015164 650639947 /nfs/dbraw/zinc/63/99/47/650639947.db2.gz QJGMCLKICKHIMG-AWEZNQCLSA-N 1 0 393.372 2.306 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 ZINC000481493536 650647734 /nfs/dbraw/zinc/64/77/34/650647734.db2.gz QIRFAUKKPOEALQ-UHFFFAOYSA-N 1 0 379.507 2.323 20 0 GEADRO Cc1c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000525174510 650650762 /nfs/dbraw/zinc/65/07/62/650650762.db2.gz JZAGGXIYVDCIFJ-CQSZACIVSA-N 1 0 382.917 2.454 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000525922191 650660750 /nfs/dbraw/zinc/66/07/50/650660750.db2.gz FTPMNXXYUWIYIL-GFCCVEGCSA-N 1 0 394.317 2.081 20 0 GEADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ncsc3C(F)(F)F)C2)CC1 ZINC000525925544 650661070 /nfs/dbraw/zinc/66/10/70/650661070.db2.gz ZNGVMJQFYPCDKH-GFCCVEGCSA-N 1 0 376.448 2.402 20 0 GEADRO C[C@H]1CCCCN1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482114226 650660240 /nfs/dbraw/zinc/66/02/40/650660240.db2.gz OHZFHJCKFNCBCB-INIZCTEOSA-N 1 0 375.604 2.447 20 0 GEADRO C[C@H]1CN(CC[NH2+]Cc2c(F)ccc(I)c2F)CCO1 ZINC000525986221 650662253 /nfs/dbraw/zinc/66/22/53/650662253.db2.gz AXCMQPXVAMKSQU-JTQLQIEISA-N 1 0 396.219 2.380 20 0 GEADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000482434523 650665298 /nfs/dbraw/zinc/66/52/98/650665298.db2.gz GWNTZZSGEWBGOV-MRXNPFEDSA-N 1 0 384.293 2.329 20 0 GEADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000482635821 650665800 /nfs/dbraw/zinc/66/58/00/650665800.db2.gz YFELPJBJDSUSOV-OAHLLOKOSA-N 1 0 387.571 2.056 20 0 GEADRO CC(C)(CNC(=O)CCn1cc(Br)ccc1=O)C[NH+]1CCCC1 ZINC000482955162 650671526 /nfs/dbraw/zinc/67/15/26/650671526.db2.gz XZXYFROICRERPP-UHFFFAOYSA-N 1 0 384.318 2.239 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000527480328 650676448 /nfs/dbraw/zinc/67/64/48/650676448.db2.gz JTQPGGKMQJPETD-GFCCVEGCSA-N 1 0 391.331 2.069 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000527483951 650676493 /nfs/dbraw/zinc/67/64/93/650676493.db2.gz KEYCBOQCPKABHH-OLZOCXBDSA-N 1 0 395.472 2.301 20 0 GEADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000527939023 650683241 /nfs/dbraw/zinc/68/32/41/650683241.db2.gz ZYXMSZILQGSKKR-SMDDNHRTSA-N 1 0 376.404 2.245 20 0 GEADRO Cn1cc([C@@H](O)C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)cn1 ZINC000527669511 650681737 /nfs/dbraw/zinc/68/17/37/650681737.db2.gz XOCZJZIGDSZYNZ-NSHDSACASA-N 1 0 382.287 2.457 20 0 GEADRO O[C@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@H]1CCCO1 ZINC000527754650 650682419 /nfs/dbraw/zinc/68/24/19/650682419.db2.gz FHHYLVCTUWFNCR-VXGBXAGGSA-N 1 0 383.176 2.199 20 0 GEADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000527939020 650682990 /nfs/dbraw/zinc/68/29/90/650682990.db2.gz ZYXMSZILQGSKKR-BXUZGUMPSA-N 1 0 376.404 2.245 20 0 GEADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528314497 650688570 /nfs/dbraw/zinc/68/85/70/650688570.db2.gz HOAZMHRLTDBEHP-GFCCVEGCSA-N 1 0 382.452 2.372 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000528358352 650690772 /nfs/dbraw/zinc/69/07/72/650690772.db2.gz MSSCRGVTYZFKPZ-UHFFFAOYSA-N 1 0 382.452 2.181 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](O)COc1ccccc1Br ZINC000483995878 650684122 /nfs/dbraw/zinc/68/41/22/650684122.db2.gz UYYCCUAGGMDVJI-MJBXVCDLSA-N 1 0 385.302 2.178 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484204069 650686183 /nfs/dbraw/zinc/68/61/83/650686183.db2.gz ROTJBMUTBTZVCS-JKSUJKDBSA-N 1 0 396.329 2.397 20 0 GEADRO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000528688610 650697872 /nfs/dbraw/zinc/69/78/72/650697872.db2.gz BNXLGJAWSIGQPV-VIFPVBQESA-N 1 0 376.226 2.097 20 0 GEADRO C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2C[C@]2(C)Br)c2ccccc2)CC1 ZINC000528395538 650692382 /nfs/dbraw/zinc/69/23/82/650692382.db2.gz KRBNCOXWFOAVQH-BQFCYCMXSA-N 1 0 380.330 2.265 20 0 GEADRO C[C@H](CNC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)[N@H+](C)C1CC1 ZINC000485104388 650693165 /nfs/dbraw/zinc/69/31/65/650693165.db2.gz NWNUFJLXAOWCSK-SNVBAGLBSA-N 1 0 380.901 2.165 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)NCC[C@@H]3CCC[N@H+]3C)c(Cl)cc21 ZINC000528431710 650693534 /nfs/dbraw/zinc/69/35/34/650693534.db2.gz QUCOBQMGMVQCPG-AWEZNQCLSA-N 1 0 385.917 2.012 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCS(=O)(=O)C1 ZINC000485684571 650698633 /nfs/dbraw/zinc/69/86/33/650698633.db2.gz QRVLKCSJSBRBJP-GFCCVEGCSA-N 1 0 378.416 2.401 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000485628836 650698240 /nfs/dbraw/zinc/69/82/40/650698240.db2.gz ORQSYVOYAYQBHG-KRWDZBQOSA-N 1 0 395.345 2.371 20 0 GEADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000485618455 650698250 /nfs/dbraw/zinc/69/82/50/650698250.db2.gz ZATFAADXZCGPGF-JTQLQIEISA-N 1 0 379.452 2.372 20 0 GEADRO CSCC[C@H](CO)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000485348437 650695370 /nfs/dbraw/zinc/69/53/70/650695370.db2.gz QBHXEFDEKRHGOM-OAHLLOKOSA-N 1 0 375.604 2.151 20 0 GEADRO OC[C@]1([NH2+]C[C@H](O)c2ccc(Br)cc2)COc2ccccc2C1 ZINC000528648528 650697210 /nfs/dbraw/zinc/69/72/10/650697210.db2.gz CKNJCADLVDQHDG-WMZOPIPTSA-N 1 0 378.266 2.438 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000485695064 650699130 /nfs/dbraw/zinc/69/91/30/650699130.db2.gz KGHPRZOLYSNGQJ-XJKSGUPXSA-N 1 0 390.274 2.073 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000485695061 650699168 /nfs/dbraw/zinc/69/91/68/650699168.db2.gz KGHPRZOLYSNGQJ-BBRMVZONSA-N 1 0 390.274 2.073 20 0 GEADRO Cn1c(CSc2nnnn2CC[NH+](C)C)nc2ccc(Br)cc21 ZINC000486026507 650705606 /nfs/dbraw/zinc/70/56/06/650705606.db2.gz HMYGMRYUHBYVNN-UHFFFAOYSA-N 1 0 396.318 2.176 20 0 GEADRO [NH3+]CC1(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CCOCC1 ZINC000529322021 650702716 /nfs/dbraw/zinc/70/27/16/650702716.db2.gz KBHRULWYZKLONR-SMDDNHRTSA-N 1 0 386.265 2.251 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000529321556 650702732 /nfs/dbraw/zinc/70/27/32/650702732.db2.gz IWZRKAMHLYSEDZ-ZIAGYGMSSA-N 1 0 387.311 2.250 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)nc12 ZINC000529324494 650702850 /nfs/dbraw/zinc/70/28/50/650702850.db2.gz NOMGAFPYOCVEMM-CQSZACIVSA-N 1 0 392.301 2.489 20 0 GEADRO CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000529355435 650703770 /nfs/dbraw/zinc/70/37/70/650703770.db2.gz LRXIWDZSHUWXKP-ZFWWWQNUSA-N 1 0 383.901 2.094 20 0 GEADRO CC(C)(CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(Br)c1 ZINC000486046811 650706282 /nfs/dbraw/zinc/70/62/82/650706282.db2.gz TVVHQBQLQIZVIH-INIZCTEOSA-N 1 0 380.330 2.233 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000486209247 650709000 /nfs/dbraw/zinc/70/90/00/650709000.db2.gz DEIPIHBNBDECNT-GWCFXTLKSA-N 1 0 378.274 2.048 20 0 GEADRO CS(=O)(=O)Nc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1Cl ZINC000530024413 650710668 /nfs/dbraw/zinc/71/06/68/650710668.db2.gz MBKZHWASLNIHRR-CQSZACIVSA-N 1 0 385.917 2.458 20 0 GEADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000486291450 650710860 /nfs/dbraw/zinc/71/08/60/650710860.db2.gz JOQTVECGTVRZRF-OAHLLOKOSA-N 1 0 381.270 2.402 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000486362809 650712386 /nfs/dbraw/zinc/71/23/86/650712386.db2.gz VZJZOGDLEVMYNO-GXSJLCMTSA-N 1 0 379.404 2.213 20 0 GEADRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000530214136 650718759 /nfs/dbraw/zinc/71/87/59/650718759.db2.gz BFGGVIMHNKWBHQ-IINYFYTJSA-N 1 0 388.331 2.032 20 0 GEADRO O=C(CN1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccccc1Br ZINC000530239717 650719290 /nfs/dbraw/zinc/71/92/90/650719290.db2.gz UEOMBZVAGAJZMI-HNNXBMFYSA-N 1 0 396.329 2.478 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000486701187 650719456 /nfs/dbraw/zinc/71/94/56/650719456.db2.gz KJNDMBFBCQDDLM-RHSMWYFYSA-N 1 0 380.330 2.291 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000530349612 650722880 /nfs/dbraw/zinc/72/28/80/650722880.db2.gz SAPXOVPIZJGNKC-UHFFFAOYSA-N 1 0 396.207 2.474 20 0 GEADRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c(Br)c1 ZINC000530536123 650725677 /nfs/dbraw/zinc/72/56/77/650725677.db2.gz XQEYKXONMSTGRP-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000530855860 650729712 /nfs/dbraw/zinc/72/97/12/650729712.db2.gz OFIURBQJFJKPNK-LLVKDONJSA-N 1 0 377.304 2.078 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000530855861 650729864 /nfs/dbraw/zinc/72/98/64/650729864.db2.gz OFIURBQJFJKPNK-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2=O)ccc1Br ZINC000487161463 650729894 /nfs/dbraw/zinc/72/98/94/650729894.db2.gz QNMWIWAMAIFMAV-NOLJZWGESA-N 1 0 394.313 2.177 20 0 GEADRO Cn1cc(C[C@H]2CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)cn1 ZINC000530866635 650730158 /nfs/dbraw/zinc/73/01/58/650730158.db2.gz WVHCREXGHXFNIA-RHSMWYFYSA-N 1 0 394.313 2.487 20 0 GEADRO C[C@H]1Cc2cc(S(=O)(=O)NC[C@@]3([NH+](C)C)CCSC3)cc(Cl)c2O1 ZINC000530891245 650730423 /nfs/dbraw/zinc/73/04/23/650730423.db2.gz FHIJQBVAPMCTEJ-ZBEGNZNMSA-N 1 0 390.958 2.379 20 0 GEADRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1c(Br)cnn1C ZINC000487296369 650732466 /nfs/dbraw/zinc/73/24/66/650732466.db2.gz IVAGLWAJGDARGV-OAHLLOKOSA-N 1 0 392.345 2.483 20 0 GEADRO COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487317658 650732756 /nfs/dbraw/zinc/73/27/56/650732756.db2.gz HGOXKRYIBYVXLP-SWLSCSKDSA-N 1 0 383.286 2.148 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487425998 650733403 /nfs/dbraw/zinc/73/34/03/650733403.db2.gz HEZSAOZSBKCUGV-GUYCJALGSA-N 1 0 396.329 2.436 20 0 GEADRO C[C@@H](CNC(=O)N(CCO)Cc1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000487479738 650734325 /nfs/dbraw/zinc/73/43/25/650734325.db2.gz UAHOMLTXWSYGCD-ZDUSSCGKSA-N 1 0 384.318 2.436 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]CCc1ncn(C)n1 ZINC000531777896 650744264 /nfs/dbraw/zinc/74/42/64/650744264.db2.gz JDSCDNRBSSEZOH-UHFFFAOYSA-N 1 0 383.290 2.325 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Sc1ccc(Br)cc1 ZINC000488310037 650744317 /nfs/dbraw/zinc/74/43/17/650744317.db2.gz HOMXSMVCNQBBLQ-BBRMVZONSA-N 1 0 398.370 2.436 20 0 GEADRO Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=S)NCCC[NH+](C)C ZINC000007381613 642338926 /nfs/dbraw/zinc/33/89/26/642338926.db2.gz JBZXCYIJQPKFKI-CYBMUJFWSA-N 1 0 386.949 2.171 20 0 GEADRO COC[C@@](C)(O)C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000531711938 650742960 /nfs/dbraw/zinc/74/29/60/650742960.db2.gz TWODUTRCBYUPPV-BZNIZROVSA-N 1 0 383.290 2.386 20 0 GEADRO COC[C@](C)(O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000531711237 650742993 /nfs/dbraw/zinc/74/29/93/650742993.db2.gz FFIUAKFORVXUPW-UKRRQHHQSA-N 1 0 391.249 2.492 20 0 GEADRO O=C(COc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000532639881 650751616 /nfs/dbraw/zinc/75/16/16/650751616.db2.gz NAWZHQCJNFDAPB-OAHLLOKOSA-N 1 0 397.313 2.399 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000532454951 650748129 /nfs/dbraw/zinc/74/81/29/650748129.db2.gz JLKMQSZUINTHAJ-INIZCTEOSA-N 1 0 392.345 2.446 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000532494269 650748894 /nfs/dbraw/zinc/74/88/94/650748894.db2.gz NLQVMYMCTPORHT-CQSZACIVSA-N 1 0 381.519 2.486 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000488625189 650749518 /nfs/dbraw/zinc/74/95/18/650749518.db2.gz OQKQLWCULKCSLS-AWEZNQCLSA-N 1 0 376.270 2.261 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000025810488 642428174 /nfs/dbraw/zinc/42/81/74/642428174.db2.gz IOGPEWLVUFLIMA-INIZCTEOSA-N 1 0 381.523 2.031 20 0 GEADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1 ZINC000532674228 650751957 /nfs/dbraw/zinc/75/19/57/650751957.db2.gz KVXVXXMDKUZTCP-CYBMUJFWSA-N 1 0 382.258 2.331 20 0 GEADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CC2(CO)COC2)CC1 ZINC000533048338 650756021 /nfs/dbraw/zinc/75/60/21/650756021.db2.gz LMLWMCQPOOHCKW-UHFFFAOYSA-N 1 0 383.286 2.109 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000489276052 650756864 /nfs/dbraw/zinc/75/68/64/650756864.db2.gz IKWYRXYWZREKTG-NWDGAFQWSA-N 1 0 388.281 2.185 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC[N@@H+]1C ZINC000489328626 650757737 /nfs/dbraw/zinc/75/77/37/650757737.db2.gz LPRYHNKISOYSDL-HNNXBMFYSA-N 1 0 396.289 2.094 20 0 GEADRO COCCOc1cccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000533252923 650758902 /nfs/dbraw/zinc/75/89/02/650758902.db2.gz VZTFMRSRYQHXTQ-UHFFFAOYSA-N 1 0 384.523 2.184 20 0 GEADRO O=C(CNS(=O)(=O)c1cccs1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032763067 642498127 /nfs/dbraw/zinc/49/81/27/642498127.db2.gz ZZXQQVWSYOHRPY-ZDUSSCGKSA-N 1 0 399.563 2.041 20 0 GEADRO O=C(CSc1nnnn1C1CC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032762731 642498417 /nfs/dbraw/zinc/49/84/17/642498417.db2.gz NHOALFRMMKDNCL-ZDUSSCGKSA-N 1 0 378.527 2.115 20 0 GEADRO COc1cc(Br)c(C[NH2+]C2CCS(=O)(=O)CC2)cc1OC ZINC000037269772 642512216 /nfs/dbraw/zinc/51/22/16/642512216.db2.gz ALFRSQFQSHHSKJ-UHFFFAOYSA-N 1 0 378.288 2.133 20 0 GEADRO CCOc1c(Br)cc(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1OC ZINC000532809929 650753615 /nfs/dbraw/zinc/75/36/15/650753615.db2.gz QJQXGOSJRDBAOT-JTQLQIEISA-N 1 0 380.304 2.379 20 0 GEADRO C[C@H](NC(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1Cl ZINC000489910360 650765428 /nfs/dbraw/zinc/76/54/28/650765428.db2.gz XCVVZFIRPBIEFX-DZGCQCFKSA-N 1 0 385.339 2.150 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000041297781 642528750 /nfs/dbraw/zinc/52/87/50/642528750.db2.gz LCWXJGMCRHRSGN-UHFFFAOYSA-N 1 0 387.933 2.242 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000041890470 642535082 /nfs/dbraw/zinc/53/50/82/642535082.db2.gz BUBAVFLCBGEFRE-LBPRGKRZSA-N 1 0 380.286 2.297 20 0 GEADRO C[C@@H]1[C@H](NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CCC[N@@H+]1C ZINC000489996196 650766402 /nfs/dbraw/zinc/76/64/02/650766402.db2.gz VACWDXGQAKDHDW-VCTAVGKDSA-N 1 0 388.281 2.404 20 0 GEADRO O=C(NCCNc1cc[nH+]cc1)NCCOc1ccc(Br)cc1 ZINC000533811553 650766441 /nfs/dbraw/zinc/76/64/41/650766441.db2.gz GSFZYYOYCYBYHZ-UHFFFAOYSA-N 1 0 379.258 2.056 20 0 GEADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042056013 642540484 /nfs/dbraw/zinc/54/04/84/642540484.db2.gz WYSYSRZGWHFONG-ZIAGYGMSSA-N 1 0 384.249 2.270 20 0 GEADRO CN(C(=O)Cc1ccc(I)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000490032833 650766684 /nfs/dbraw/zinc/76/66/84/650766684.db2.gz CIJVUPZVLNZMFB-HNNXBMFYSA-N 1 0 384.261 2.386 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000490034116 650766731 /nfs/dbraw/zinc/76/67/31/650766731.db2.gz TVLIYVGNRSFJIE-HNNXBMFYSA-N 1 0 389.315 2.222 20 0 GEADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000042169441 642544809 /nfs/dbraw/zinc/54/48/09/642544809.db2.gz BLPQKWIMHHQOKT-IYBDPMFKSA-N 1 0 375.604 2.160 20 0 GEADRO CC[NH+](CC)[C@H](C)CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000042203161 642545421 /nfs/dbraw/zinc/54/54/21/642545421.db2.gz UHPKAOHXQWNIEV-TZMCWYRMSA-N 1 0 376.954 2.024 20 0 GEADRO Cc1nc(CC[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)cs1 ZINC000042207549 642545991 /nfs/dbraw/zinc/54/59/91/642545991.db2.gz AFLLGJZHIBHSRT-ZDUSSCGKSA-N 1 0 388.946 2.302 20 0 GEADRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000042242959 642546895 /nfs/dbraw/zinc/54/68/95/642546895.db2.gz KZHXUGPVDMBZFZ-LBPRGKRZSA-N 1 0 387.265 2.256 20 0 GEADRO S=C(NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Nc1cccc(Cl)c1 ZINC000044160163 642570009 /nfs/dbraw/zinc/57/00/09/642570009.db2.gz HVUGRHNXCQXNSU-HNNXBMFYSA-N 1 0 382.961 2.281 20 0 GEADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000489711313 650762568 /nfs/dbraw/zinc/76/25/68/650762568.db2.gz IXTFUMVNRLCSCW-UHFFFAOYSA-N 1 0 376.906 2.477 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000046035067 642601764 /nfs/dbraw/zinc/60/17/64/642601764.db2.gz WBYIWCKCYOAIQO-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Br)c[nH]1 ZINC000534183331 650770328 /nfs/dbraw/zinc/77/03/28/650770328.db2.gz YGGFVKVYZIAHQZ-ZBFHGGJFSA-N 1 0 392.297 2.390 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000046862370 642618282 /nfs/dbraw/zinc/61/82/82/642618282.db2.gz QHDYQBXWCUCIMM-CYBMUJFWSA-N 1 0 387.933 2.052 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000046863066 642618345 /nfs/dbraw/zinc/61/83/45/642618345.db2.gz IZONFMURJFPSGG-ZIAGYGMSSA-N 1 0 396.329 2.416 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000490304105 650771305 /nfs/dbraw/zinc/77/13/05/650771305.db2.gz ZOZVXWRILSFLPH-BBRMVZONSA-N 1 0 396.329 2.366 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000048217882 642647010 /nfs/dbraw/zinc/64/70/10/642647010.db2.gz FRMBTIPXYKHFCY-LBPRGKRZSA-N 1 0 390.311 2.196 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000048217883 642647094 /nfs/dbraw/zinc/64/70/94/642647094.db2.gz FRMBTIPXYKHFCY-GFCCVEGCSA-N 1 0 390.311 2.196 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000048678617 642659295 /nfs/dbraw/zinc/65/92/95/642659295.db2.gz ALFSBHUQORLMIF-NSHDSACASA-N 1 0 388.331 2.183 20 0 GEADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000048773427 642661913 /nfs/dbraw/zinc/66/19/13/642661913.db2.gz QBKZKOJBKJLRTH-UHFFFAOYSA-N 1 0 375.416 2.490 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000049048230 642666172 /nfs/dbraw/zinc/66/61/72/642666172.db2.gz RAHVTNBBINMGRK-ZDUSSCGKSA-N 1 0 388.295 2.405 20 0 GEADRO CCCC[N@H+](CCO)CC(=O)Nc1ccccc1I ZINC000049800526 642671621 /nfs/dbraw/zinc/67/16/21/642671621.db2.gz MCTKANHTUGBFSR-UHFFFAOYSA-N 1 0 376.238 2.324 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCN1CCSCC1 ZINC000491033814 650782307 /nfs/dbraw/zinc/78/23/07/650782307.db2.gz QWKXFWRMNXFPKE-UHFFFAOYSA-N 1 0 384.977 2.462 20 0 GEADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2OC)C1 ZINC000053203041 642731363 /nfs/dbraw/zinc/73/13/63/642731363.db2.gz PXNPMCRKNOTVMB-JTQLQIEISA-N 1 0 397.722 2.484 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCc1ccc(F)cc1Br ZINC000054756199 642757936 /nfs/dbraw/zinc/75/79/36/642757936.db2.gz RFJFVOBXZBHTQN-UHFFFAOYSA-N 1 0 388.281 2.500 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[NH+](CC2CC2)CC1 ZINC000055669141 642778887 /nfs/dbraw/zinc/77/88/87/642778887.db2.gz FTYQCINCRVKLCZ-UHFFFAOYSA-N 1 0 395.297 2.317 20 0 GEADRO Brc1ccc(-c2c[nH]c(CN3CCN([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000491165916 650783832 /nfs/dbraw/zinc/78/38/32/650783832.db2.gz GYJZNVIUWKXRMP-MRXNPFEDSA-N 1 0 390.329 2.319 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000057553120 642814241 /nfs/dbraw/zinc/81/42/41/642814241.db2.gz SXLADYRJZACABZ-ZDUSSCGKSA-N 1 0 377.901 2.240 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000057828768 642818859 /nfs/dbraw/zinc/81/88/59/642818859.db2.gz WLVBHNVLJLLUMO-UHFFFAOYSA-N 1 0 376.810 2.498 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000491247761 650784677 /nfs/dbraw/zinc/78/46/77/650784677.db2.gz GDPHUDKVSNVVIS-CHWSQXEVSA-N 1 0 396.285 2.139 20 0 GEADRO C[NH+](C)CCNC(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 ZINC000491289899 650785098 /nfs/dbraw/zinc/78/50/98/650785098.db2.gz UJMVJULQXASDHC-UHFFFAOYSA-N 1 0 385.237 2.249 20 0 GEADRO S=C(NCCSc1ccccc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000061251122 642842123 /nfs/dbraw/zinc/84/21/23/642842123.db2.gz BPKAQVPDCKQUHO-UHFFFAOYSA-N 1 0 378.611 2.367 20 0 GEADRO O[C@@H]1CCN(CC[NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000886172028 653968297 /nfs/dbraw/zinc/96/82/97/653968297.db2.gz URGDULMMXZMYPQ-MRVPVSSYSA-N 1 0 384.137 2.429 20 0 GEADRO C[NH+]1CCC(NC(=S)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000063147653 642853284 /nfs/dbraw/zinc/85/32/84/642853284.db2.gz LXXDPCRJQBWJLK-UHFFFAOYSA-N 1 0 376.935 2.092 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000063530229 642860007 /nfs/dbraw/zinc/86/00/07/642860007.db2.gz UOGIAHUIWQVXEL-CYBMUJFWSA-N 1 0 382.302 2.025 20 0 GEADRO COCCOCCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000063827319 642863133 /nfs/dbraw/zinc/86/31/33/642863133.db2.gz CQGHOKGKDPHGLY-UHFFFAOYSA-N 1 0 387.318 2.392 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000063863144 642864688 /nfs/dbraw/zinc/86/46/88/642864688.db2.gz WGAWWTZMEFXCNP-AWEZNQCLSA-N 1 0 387.571 2.190 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCc3cscn3)CC2)cc1 ZINC000493034085 650792511 /nfs/dbraw/zinc/79/25/11/650792511.db2.gz IRFHLXOCELNYOH-UHFFFAOYSA-N 1 0 381.523 2.137 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000065760609 642887259 /nfs/dbraw/zinc/88/72/59/642887259.db2.gz ATYKVADGOKVHDQ-UPJWGTAASA-N 1 0 387.933 2.084 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000493519596 650794323 /nfs/dbraw/zinc/79/43/23/650794323.db2.gz DIUUKAPCLQESKE-AEFFLSMTSA-N 1 0 399.329 2.427 20 0 GEADRO O=C1c2cc(Br)ccc2N(CN2CC[C@H]([NH+]3CCCC3)C2)C1=O ZINC000066081022 642896568 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CCN(C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1)S(C)(=O)=O ZINC000066882525 642945097 /nfs/dbraw/zinc/94/50/97/642945097.db2.gz WHQSSVKJUNNHST-UHFFFAOYSA-N 1 0 387.933 2.415 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[N@H+](C)C1CC1 ZINC000066940895 642955581 /nfs/dbraw/zinc/95/55/81/642955581.db2.gz SUICNCYGUXFZNB-MRXNPFEDSA-N 1 0 396.329 2.414 20 0 GEADRO CN(CC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C(=O)c1ccc(Br)o1 ZINC000066943996 642955646 /nfs/dbraw/zinc/95/56/46/642955646.db2.gz KLASVEANQMQHIU-ZDUSSCGKSA-N 1 0 398.301 2.201 20 0 GEADRO CCOC(=O)[C@](C)(O)C[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000494247660 650802700 /nfs/dbraw/zinc/80/27/00/650802700.db2.gz LRDRLFVDTKUXHV-CQSZACIVSA-N 1 0 380.304 2.273 20 0 GEADRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000494249800 650802745 /nfs/dbraw/zinc/80/27/45/650802745.db2.gz CXNLUFJITAHWOY-SUMWQHHRSA-N 1 0 385.302 2.443 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)([NH+](C)C)C1 ZINC000068116770 642986990 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CSc1cc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(Cl)cc1Cl ZINC000495788675 650827554 /nfs/dbraw/zinc/82/75/54/650827554.db2.gz PPFIFPAAHDJASK-UHFFFAOYSA-N 1 0 376.309 2.219 20 0 GEADRO CC(C)[NH+](CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(C)C ZINC000109906153 643303225 /nfs/dbraw/zinc/30/32/25/643303225.db2.gz RDQUJCAACCEJMD-OAHLLOKOSA-N 1 0 387.571 2.136 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C(F)(F)F)n1 ZINC000110515357 643312613 /nfs/dbraw/zinc/31/26/13/643312613.db2.gz OAHRYWZGZROAJF-IUODEOHRSA-N 1 0 377.432 2.288 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C(F)(F)F)n1 ZINC000110515353 643312621 /nfs/dbraw/zinc/31/26/21/643312621.db2.gz OAHRYWZGZROAJF-SWLSCSKDSA-N 1 0 377.432 2.288 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000110604785 643314537 /nfs/dbraw/zinc/31/45/37/643314537.db2.gz GCEGEZGGAHGMDG-NSHDSACASA-N 1 0 387.552 2.093 20 0 GEADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000110677348 643317653 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O=C(NCc1cc(Br)cs1)NCC1CC[NH+](CCO)CC1 ZINC000111828571 643347787 /nfs/dbraw/zinc/34/77/87/643347787.db2.gz ANPGBQMNWUOGLF-UHFFFAOYSA-N 1 0 376.320 2.014 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccccc1Br ZINC000112290775 643358075 /nfs/dbraw/zinc/35/80/75/643358075.db2.gz GXPJPIJMEFCIGT-UONOGXRCSA-N 1 0 385.302 2.443 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1C(F)(F)F ZINC000538260272 650833147 /nfs/dbraw/zinc/83/31/47/650833147.db2.gz ZVWBIMXPSYOTSP-WOPDTQHZSA-N 1 0 378.416 2.048 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1C(F)(F)F ZINC000538260269 650833207 /nfs/dbraw/zinc/83/32/07/650833207.db2.gz ZVWBIMXPSYOTSP-GRYCIOLGSA-N 1 0 378.416 2.048 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000112309749 643360488 /nfs/dbraw/zinc/36/04/88/643360488.db2.gz BITLFFVEOXHOEW-UHFFFAOYSA-N 1 0 387.571 2.384 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)c2ccnc(SCC(F)(F)F)c2)CC1 ZINC000112626782 643367919 /nfs/dbraw/zinc/36/79/19/643367919.db2.gz RAJNBSHRBUQCIR-UHFFFAOYSA-N 1 0 376.448 2.103 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000113185425 643385000 /nfs/dbraw/zinc/38/50/00/643385000.db2.gz YFQNUMZGWSGVJK-UHFFFAOYSA-N 1 0 388.737 2.399 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000497513530 650835493 /nfs/dbraw/zinc/83/54/93/650835493.db2.gz LPEFSCOCXYKNIE-IRXDYDNUSA-N 1 0 380.330 2.258 20 0 GEADRO CS[C@@H]1CN([C@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000538377938 650835581 /nfs/dbraw/zinc/83/55/81/650835581.db2.gz DGNVTFIAFLEUJY-MJBXVCDLSA-N 1 0 390.322 2.092 20 0 GEADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC000113391868 643396759 /nfs/dbraw/zinc/39/67/59/643396759.db2.gz LOSJRCBYJXKNTA-ARFHVFGLSA-N 1 0 375.579 2.350 20 0 GEADRO C[NH+](C)C[C@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000113514311 643399692 /nfs/dbraw/zinc/39/96/92/643399692.db2.gz NGXYGQQSXDNNRS-CYBMUJFWSA-N 1 0 375.332 2.106 20 0 GEADRO CCN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H](C)CS(=O)(=O)CC ZINC000113591416 643401008 /nfs/dbraw/zinc/40/10/08/643401008.db2.gz RSNNNRJCUABMTA-RDJZCZTQSA-N 1 0 375.579 2.352 20 0 GEADRO CCN(C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000113603096 643401665 /nfs/dbraw/zinc/40/16/65/643401665.db2.gz NTIDPUVXKNNOQQ-TWMKSMIVSA-N 1 0 375.579 2.208 20 0 GEADRO Cc1nn2cc(S(=O)(=O)NCc3ccc([C@@H](C)[NH3+])cc3)cnc2c1Cl ZINC000497604254 650837279 /nfs/dbraw/zinc/83/72/79/650837279.db2.gz NDTBPOCKHUEBNV-SNVBAGLBSA-N 1 0 379.873 2.189 20 0 GEADRO O=C1[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)CCN1CC(F)(F)F ZINC000114752546 643426121 /nfs/dbraw/zinc/42/61/21/643426121.db2.gz YNKTUTVKXMBDOR-CQSZACIVSA-N 1 0 379.492 2.491 20 0 GEADRO COc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1I ZINC000538912877 650838739 /nfs/dbraw/zinc/83/87/39/650838739.db2.gz GBLSLGLRBPKVHV-QWRGUYRKSA-N 1 0 388.249 2.464 20 0 GEADRO CS(=O)(=O)Cc1ccc(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)o1 ZINC000115114655 643430327 /nfs/dbraw/zinc/43/03/27/643430327.db2.gz HXNZIPNYSIJUPV-UHFFFAOYSA-N 1 0 382.507 2.280 20 0 GEADRO C[NH+](C)C[C@H]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000115163364 643431164 /nfs/dbraw/zinc/43/11/64/643431164.db2.gz KCKCAJAJUQEATE-GFCCVEGCSA-N 1 0 379.917 2.297 20 0 GEADRO CSCC[C@@H]([NH3+])C(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC000497735487 650839389 /nfs/dbraw/zinc/83/93/89/650839389.db2.gz NUBHIPGYRNUUSX-MRXNPFEDSA-N 1 0 384.977 2.049 20 0 GEADRO CCC(CC)[C@@H](CNC(=O)N(CC)[C@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC000497772194 650840390 /nfs/dbraw/zinc/84/03/90/650840390.db2.gz ZFOFBAFEVBNXMU-NVXWUHKLSA-N 1 0 375.579 2.352 20 0 GEADRO Cc1cc(S(=O)(=O)NCc2cccc(OCC[NH+](C)C)c2)cnc1Cl ZINC000117360551 643488239 /nfs/dbraw/zinc/48/82/39/643488239.db2.gz PHHABBAKZVTUGD-UHFFFAOYSA-N 1 0 383.901 2.462 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCCC(F)(F)F)CC1 ZINC000539789626 650850544 /nfs/dbraw/zinc/85/05/44/650850544.db2.gz PSEFTRXLJIDTFD-HUUCEWRRSA-N 1 0 385.496 2.149 20 0 GEADRO [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000498202259 650850517 /nfs/dbraw/zinc/85/05/17/650850517.db2.gz STRRYXUMSKNILP-GXFFZTMASA-N 1 0 376.245 2.374 20 0 GEADRO C[C@H]([NH2+][C@H]1C[C@H](C)Sc2sccc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000539624098 650846652 /nfs/dbraw/zinc/84/66/52/650846652.db2.gz FCMWIGQVAKYAKY-FMSGJZPZSA-N 1 0 388.580 2.203 20 0 GEADRO COc1ccsc1S(=O)(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000119150796 643539129 /nfs/dbraw/zinc/53/91/29/643539129.db2.gz UFOPIECQCMKWJK-KBPBESRZSA-N 1 0 388.555 2.267 20 0 GEADRO CC[NH+](CC)CCCNC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000498120251 650848624 /nfs/dbraw/zinc/84/86/24/650848624.db2.gz AWVVTMGEJOZPCB-UHFFFAOYSA-N 1 0 385.306 2.419 20 0 GEADRO O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1cccc(Br)c1 ZINC000498145784 650849009 /nfs/dbraw/zinc/84/90/09/650849009.db2.gz MTQFAGGMILPYEA-CABCVRRESA-N 1 0 395.301 2.314 20 0 GEADRO CC[NH+]1CCN(CCCNC(=O)Cc2cc(Br)ccc2F)CC1 ZINC000119882872 643577271 /nfs/dbraw/zinc/57/72/71/643577271.db2.gz LHZAYUHYZDPYPO-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000539775304 650849761 /nfs/dbraw/zinc/84/97/61/650849761.db2.gz NHKOXBMPDHWQIZ-GFCCVEGCSA-N 1 0 381.420 2.175 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccncc3I)CC[C@@H]21 ZINC000120270118 643596609 /nfs/dbraw/zinc/59/66/09/643596609.db2.gz KPTBGJFNTQTAHI-RISCZKNCSA-N 1 0 385.249 2.243 20 0 GEADRO COc1ccc(Br)cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000120392908 643603882 /nfs/dbraw/zinc/60/38/82/643603882.db2.gz DBLNGIWCBUAZOU-INIZCTEOSA-N 1 0 398.345 2.460 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000120412011 643605261 /nfs/dbraw/zinc/60/52/61/643605261.db2.gz QJKFPUHZUNCQMQ-INIZCTEOSA-N 1 0 396.329 2.067 20 0 GEADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000120451649 643608626 /nfs/dbraw/zinc/60/86/26/643608626.db2.gz HSOBXIFVGVLASF-CMPLNLGQSA-N 1 0 386.265 2.468 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000498448197 650857036 /nfs/dbraw/zinc/85/70/36/650857036.db2.gz HEOBPGJIKXCUSP-UHFFFAOYSA-N 1 0 398.301 2.388 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C[N@@H+]1C1CC1 ZINC000120494622 643612036 /nfs/dbraw/zinc/61/20/36/643612036.db2.gz LKRYUXUNKHSRCD-ONGXEEELSA-N 1 0 384.249 2.268 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000498462380 650857464 /nfs/dbraw/zinc/85/74/64/650857464.db2.gz GYRRZLDYRYPERE-GXTWGEPZSA-N 1 0 396.285 2.139 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000122020018 643648203 /nfs/dbraw/zinc/64/82/03/643648203.db2.gz MZLHKSLWQMLHOI-IUODEOHRSA-N 1 0 380.286 2.330 20 0 GEADRO CCC[C@@H]1CN([C@H](C(N)=O)c2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000122035111 643648913 /nfs/dbraw/zinc/64/89/13/643648913.db2.gz ICVTUQGRYMJNOD-SJORKVTESA-N 1 0 398.345 2.408 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C1 ZINC000122450136 643655343 /nfs/dbraw/zinc/65/53/43/643655343.db2.gz JIRNGHINPHKAKK-CQSZACIVSA-N 1 0 387.933 2.147 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)CC(C)C ZINC000498455067 650857388 /nfs/dbraw/zinc/85/73/88/650857388.db2.gz TUEZUXVNJIPWBG-HUUCEWRRSA-N 1 0 389.587 2.288 20 0 GEADRO C[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl)C(C)(C)C[NH+](C)C ZINC000122667483 643660419 /nfs/dbraw/zinc/66/04/19/643660419.db2.gz YZMBMSPHOLQQOM-GFCCVEGCSA-N 1 0 389.949 2.296 20 0 GEADRO C[NH2+]CCCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000123016950 643663623 /nfs/dbraw/zinc/66/36/23/643663623.db2.gz XQPYDQVTPITAQF-UHFFFAOYSA-N 1 0 375.210 2.356 20 0 GEADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000540042997 650857865 /nfs/dbraw/zinc/85/78/65/650857865.db2.gz OJFNODFQAWPGKF-LSDHHAIUSA-N 1 0 398.345 2.311 20 0 GEADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000540165464 650858704 /nfs/dbraw/zinc/85/87/04/650858704.db2.gz SKVOBCUXTTYRIB-GXTWGEPZSA-N 1 0 390.299 2.066 20 0 GEADRO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000540183579 650858711 /nfs/dbraw/zinc/85/87/11/650858711.db2.gz RPFINPKWBSRREG-GJZGRUSLSA-N 1 0 385.961 2.245 20 0 GEADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(C(=O)OC)ccc1Br ZINC000124763544 643690438 /nfs/dbraw/zinc/69/04/38/643690438.db2.gz KNLPXQYNODEFJT-UHFFFAOYSA-N 1 0 393.303 2.032 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)C2CCC([NH3+])CC2)cc1Cl ZINC000124868646 643691178 /nfs/dbraw/zinc/69/11/78/643691178.db2.gz JUEOXBHLNDWABS-UHFFFAOYSA-N 1 0 377.869 2.328 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000125309851 643705861 /nfs/dbraw/zinc/70/58/61/643705861.db2.gz MNCIJJRHSJJRIO-UHFFFAOYSA-N 1 0 393.329 2.227 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)CC(C)(C)S(C)(=O)=O)C1 ZINC000125607391 643709144 /nfs/dbraw/zinc/70/91/44/643709144.db2.gz NGLIMUVXGBSPHB-HZPDHXFCSA-N 1 0 375.579 2.209 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000498740325 650863918 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C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000175796086 644394367 /nfs/dbraw/zinc/39/43/67/644394367.db2.gz ZQHMXQAKZTYYTF-GFCCVEGCSA-N 1 0 376.469 2.318 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(S(=O)(=O)CC)ccc1Cl ZINC000176919441 644406919 /nfs/dbraw/zinc/40/69/19/644406919.db2.gz WAIORLIJUBKCTI-ZDUSSCGKSA-N 1 0 390.933 2.220 20 0 GEADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CSCCS1 ZINC000176978131 644407955 /nfs/dbraw/zinc/40/79/55/644407955.db2.gz ABWKIOLAUXCHFJ-GOSISDBHSA-N 1 0 379.595 2.159 20 0 GEADRO Cc1cc(CCC(=O)NCCCN2CC[NH+](C)CC2)ccc1Br ZINC000177650730 644422043 /nfs/dbraw/zinc/42/20/43/644422043.db2.gz UUZOOVRJOFXBJU-UHFFFAOYSA-N 1 0 382.346 2.444 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(I)c1 ZINC000177655221 644422774 /nfs/dbraw/zinc/42/27/74/644422774.db2.gz YIWURGUGUCNCGA-NSHDSACASA-N 1 0 388.249 2.324 20 0 GEADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000543686047 650919552 /nfs/dbraw/zinc/91/95/52/650919552.db2.gz YAOZEXYLZRECGF-ZDUSSCGKSA-N 1 0 390.933 2.300 20 0 GEADRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000177927001 644427548 /nfs/dbraw/zinc/42/75/48/644427548.db2.gz LEQWEUVSZUDXBF-UHFFFAOYSA-N 1 0 390.221 2.161 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CCC[N@H+]3C)nc12 ZINC000543697551 650920357 /nfs/dbraw/zinc/92/03/57/650920357.db2.gz MONQVSGSEWDUDX-OAHLLOKOSA-N 1 0 394.317 2.341 20 0 GEADRO CN(CCC(=O)NCC(=O)Nc1ccc(Br)cc1)c1cc[nH+]cc1 ZINC000543716282 650920902 /nfs/dbraw/zinc/92/09/02/650920902.db2.gz HMKSPWNQFHBIEJ-UHFFFAOYSA-N 1 0 391.269 2.425 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@]1(O)CCOC1 ZINC000179027510 644449486 /nfs/dbraw/zinc/44/94/86/644449486.db2.gz VRRDDVMAQPZRFX-KRWDZBQOSA-N 1 0 380.286 2.493 20 0 GEADRO COCCO[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000179358217 644456521 /nfs/dbraw/zinc/45/65/21/644456521.db2.gz YXPMKJSUJUOADX-DOTOQJQBSA-N 1 0 388.302 2.316 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)C1CCOCC1 ZINC000179862993 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CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(Br)c1F ZINC000543998466 650930421 /nfs/dbraw/zinc/93/04/21/650930421.db2.gz PWKVROHIZDVPQQ-LLVKDONJSA-N 1 0 397.310 2.223 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000544672116 650949371 /nfs/dbraw/zinc/94/93/71/650949371.db2.gz DTBLBPBMFJOASQ-KRWDZBQOSA-N 1 0 386.323 2.094 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000544835617 650955270 /nfs/dbraw/zinc/95/52/70/650955270.db2.gz VQQIBXPNHYCUHO-GFCCVEGCSA-N 1 0 377.304 2.172 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[N@@H+]1C ZINC000545156627 650963415 /nfs/dbraw/zinc/96/34/15/650963415.db2.gz YWPCJWIQRYDLKI-GXSJLCMTSA-N 1 0 375.803 2.479 20 0 GEADRO CCO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C12CCCCC2 ZINC000181723479 644945008 /nfs/dbraw/zinc/94/50/08/644945008.db2.gz HFYQXALPTHOQDT-CVEARBPZSA-N 1 0 376.588 2.083 20 0 GEADRO C[N@H+](CCc1ccc(Br)cc1)CC(=O)NCC(=O)OC(C)(C)C ZINC000181858042 644950375 /nfs/dbraw/zinc/95/03/75/644950375.db2.gz XABIZMQSPWVKMV-UHFFFAOYSA-N 1 0 385.302 2.381 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000182006050 644955311 /nfs/dbraw/zinc/95/53/11/644955311.db2.gz WZKJECGKBWFLBL-KRWDZBQOSA-N 1 0 383.945 2.415 20 0 GEADRO COc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc1Br ZINC000182653373 644966597 /nfs/dbraw/zinc/96/65/97/644966597.db2.gz OVQKCWSQKIZFTK-VXGBXAGGSA-N 1 0 386.290 2.082 20 0 GEADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000183151793 644981895 /nfs/dbraw/zinc/98/18/95/644981895.db2.gz YFTIUHIDYKBINB-LBPRGKRZSA-N 1 0 389.315 2.414 20 0 GEADRO CC(C)C[C@H](CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)[NH+](C)C ZINC000183583902 644999597 /nfs/dbraw/zinc/99/95/97/644999597.db2.gz XEVCXYUWKIRAAS-LLVKDONJSA-N 1 0 398.301 2.486 20 0 GEADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000183699508 645001680 /nfs/dbraw/zinc/00/16/80/645001680.db2.gz QLSFANAZORBCQQ-UHFFFAOYSA-N 1 0 399.333 2.486 20 0 GEADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)cnc1Cl ZINC000184313707 645016216 /nfs/dbraw/zinc/01/62/16/645016216.db2.gz CZAAUMLZDDSXNS-LLVKDONJSA-N 1 0 389.725 2.253 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1O ZINC000184964296 645029838 /nfs/dbraw/zinc/02/98/38/645029838.db2.gz KAVVJUNZGJEUSZ-JTQLQIEISA-N 1 0 377.304 2.229 20 0 GEADRO Cc1c(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)nnn1-c1cccc(Br)c1 ZINC000185149313 645036328 /nfs/dbraw/zinc/03/63/28/645036328.db2.gz PODCPKZYEBBAQQ-KCPJHIHWSA-N 1 0 390.285 2.148 20 0 GEADRO Nc1cc(Br)ccc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000185267954 645041314 /nfs/dbraw/zinc/04/13/14/645041314.db2.gz SFSCCPGWUOZVHS-LBPRGKRZSA-N 1 0 382.302 2.262 20 0 GEADRO O=C(CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)Nc1cccc(Br)c1 ZINC000545420607 650974057 /nfs/dbraw/zinc/97/40/57/650974057.db2.gz OZMBTNDQVKAZEF-INIZCTEOSA-N 1 0 380.286 2.378 20 0 GEADRO COc1c(Br)cccc1C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000187175757 645084199 /nfs/dbraw/zinc/08/41/99/645084199.db2.gz MKBWYPZXSGTPCT-UHFFFAOYSA-N 1 0 391.331 2.219 20 0 GEADRO COc1c(Br)cccc1C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000187293744 645087040 /nfs/dbraw/zinc/08/70/40/645087040.db2.gz BTJWKHUAKTXZSE-BXUZGUMPSA-N 1 0 391.331 2.265 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Br)ncc1Cl ZINC000187321150 645089136 /nfs/dbraw/zinc/08/91/36/645089136.db2.gz JIZICBBGOBEZFZ-UHFFFAOYSA-N 1 0 376.682 2.340 20 0 GEADRO Cc1ccc(CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000188305627 645112226 /nfs/dbraw/zinc/11/22/26/645112226.db2.gz INHCRIPWQSCWDQ-MRXNPFEDSA-N 1 0 381.314 2.481 20 0 GEADRO CCn1nccc1N1CCC[C@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)C1=O ZINC000188552110 645118501 /nfs/dbraw/zinc/11/85/01/645118501.db2.gz HMCHPVVVJXBEFO-JSGCOSHPSA-N 1 0 395.305 2.036 20 0 GEADRO C[C@@H]1CN(C(=O)COc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000188612765 645120885 /nfs/dbraw/zinc/12/08/85/645120885.db2.gz YRJFCNRWBRELQQ-CYBMUJFWSA-N 1 0 385.302 2.132 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)ncc1Cl ZINC000188846550 645127818 /nfs/dbraw/zinc/12/78/18/645127818.db2.gz IVPAYKLPUCLJGF-SNVBAGLBSA-N 1 0 376.682 2.338 20 0 GEADRO CO[C@@H]1CC(=O)N(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000189083026 645132090 /nfs/dbraw/zinc/13/20/90/645132090.db2.gz RJHVQCLSVBDYQA-OAHLLOKOSA-N 1 0 383.286 2.249 20 0 GEADRO OC1CC[NH+](CCCNc2ncnc3cc(F)c(Br)cc32)CC1 ZINC000545867634 650982610 /nfs/dbraw/zinc/98/26/10/650982610.db2.gz ZDFCYUIIKPPDPX-UHFFFAOYSA-N 1 0 383.265 2.790 20 0 GEADRO CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1Br ZINC000190365675 645152900 /nfs/dbraw/zinc/15/29/00/645152900.db2.gz BAHFUQXAHSVORB-GFCCVEGCSA-N 1 0 398.301 2.196 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 ZINC000545879801 650983561 /nfs/dbraw/zinc/98/35/61/650983561.db2.gz VBHQFVFWUSQMNX-HNNXBMFYSA-N 1 0 386.677 2.380 20 0 GEADRO CC[C@H](CO)[NH+]1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190606700 645160586 /nfs/dbraw/zinc/16/05/86/645160586.db2.gz OJMSHZVKQCCOTD-PBHICJAKSA-N 1 0 386.323 2.487 20 0 GEADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000190835147 645166003 /nfs/dbraw/zinc/16/60/03/645166003.db2.gz RURSFKWSLVLJTP-MRXNPFEDSA-N 1 0 390.933 2.226 20 0 GEADRO CN1C(=O)C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000192157341 645197215 /nfs/dbraw/zinc/19/72/15/645197215.db2.gz WCNUSTAQZZJTBL-GXTWGEPZSA-N 1 0 377.794 2.270 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192466644 645208266 /nfs/dbraw/zinc/20/82/66/645208266.db2.gz CIZUQLOBPNHCQK-UHFFFAOYSA-N 1 0 379.295 2.492 20 0 GEADRO Fc1cccc(Br)c1C[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000192483626 645208759 /nfs/dbraw/zinc/20/87/59/645208759.db2.gz WQQFQHURVKENKL-UHFFFAOYSA-N 1 0 394.292 2.290 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ncc(Br)s2)CC1 ZINC000192500720 645210102 /nfs/dbraw/zinc/21/01/02/645210102.db2.gz JKSPVMRAWZCBCL-UHFFFAOYSA-N 1 0 375.336 2.052 20 0 GEADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000192581680 645211979 /nfs/dbraw/zinc/21/19/79/645211979.db2.gz YFNXPPQQRYOUFB-OLZOCXBDSA-N 1 0 382.302 2.179 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000192610146 645214479 /nfs/dbraw/zinc/21/44/79/645214479.db2.gz HQMGQBZZOBNITI-UHFFFAOYSA-N 1 0 383.286 2.315 20 0 GEADRO COc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1F ZINC000192682774 645220790 /nfs/dbraw/zinc/22/07/90/645220790.db2.gz REYBCNAAOCAZLG-UHFFFAOYSA-N 1 0 384.395 2.486 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c1F ZINC000192705070 645222618 /nfs/dbraw/zinc/22/26/18/645222618.db2.gz RVRMJAPKACIPQE-UHFFFAOYSA-N 1 0 386.265 2.388 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000192855638 645226101 /nfs/dbraw/zinc/22/61/01/645226101.db2.gz SQHVZKRRELVQIA-AWEZNQCLSA-N 1 0 380.535 2.482 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)ccc1Br ZINC000192902451 645228423 /nfs/dbraw/zinc/22/84/23/645228423.db2.gz AVUFEVNUKIHTGN-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1I ZINC000193100504 645241406 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2.257 20 0 GEADRO COc1cc(S(=O)(=O)NC2CCC([NH3+])CC2)c(OC)cc1Br ZINC000193249154 645255483 /nfs/dbraw/zinc/25/54/83/645255483.db2.gz MBXIUKVNJNNLNS-UHFFFAOYSA-N 1 0 393.303 2.015 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000193244248 645255521 /nfs/dbraw/zinc/25/55/21/645255521.db2.gz ANYOYAZJGNTAHF-KBPBESRZSA-N 1 0 388.917 2.033 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000193266270 645257672 /nfs/dbraw/zinc/25/76/72/645257672.db2.gz QILXLNMRAOIAMQ-STQMWFEESA-N 1 0 376.906 2.032 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000193266301 645257854 /nfs/dbraw/zinc/25/78/54/645257854.db2.gz QILXLNMRAOIAMQ-CHWSQXEVSA-N 1 0 376.906 2.032 20 0 GEADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)cn1)C(C)(C)C ZINC000193273302 645259028 /nfs/dbraw/zinc/25/90/28/645259028.db2.gz MVSYPAQVDHRMBS-GFCCVEGCSA-N 1 0 385.306 2.265 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(Br)cn1)C(C)(C)C ZINC000193273319 645259050 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O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c(Br)c1 ZINC000194756152 645347701 /nfs/dbraw/zinc/34/77/01/645347701.db2.gz BXUNYVGLLBXGIP-AWEZNQCLSA-N 1 0 390.281 2.389 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000546585250 651003296 /nfs/dbraw/zinc/00/32/96/651003296.db2.gz JSYHKQGHEKXNRS-QGZVFWFLSA-N 1 0 381.314 2.444 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCc1ccc(Br)c(F)c1 ZINC000195189675 645361668 /nfs/dbraw/zinc/36/16/68/645361668.db2.gz XTERKXOCHSSTLF-UHFFFAOYSA-N 1 0 388.281 2.500 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cn1cc(Br)cn1 ZINC000546607686 651003970 /nfs/dbraw/zinc/00/39/70/651003970.db2.gz HPGPTDLWJFIQPD-CZUORRHYSA-N 1 0 377.286 2.282 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000195329276 645371534 /nfs/dbraw/zinc/37/15/34/645371534.db2.gz VKWCUIBCQIXKSN-ZDUSSCGKSA-N 1 0 382.452 2.025 20 0 GEADRO C[C@H](CNc1ncc(I)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000546623270 651005469 /nfs/dbraw/zinc/00/54/69/651005469.db2.gz 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O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)c(F)c1 ZINC000232294497 645404855 /nfs/dbraw/zinc/40/48/55/645404855.db2.gz VTHDUAIVBRGCLB-WDEREUQCSA-N 1 0 377.279 2.493 20 0 GEADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000232336202 645405115 /nfs/dbraw/zinc/40/51/15/645405115.db2.gz HSCUPTMLPVPMBB-JOYOIKCWSA-N 1 0 376.625 2.379 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000236579042 645412527 /nfs/dbraw/zinc/41/25/27/645412527.db2.gz KVBDMDIUVHKGOV-STQMWFEESA-N 1 0 384.343 2.239 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000236619556 645414541 /nfs/dbraw/zinc/41/45/41/645414541.db2.gz QAHHVEKFUOAVFB-CYBMUJFWSA-N 1 0 397.317 2.467 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NC[C@H]1CCCC[NH2+]1 ZINC000236619667 645414563 /nfs/dbraw/zinc/41/45/63/645414563.db2.gz AOZWJTPWVXXDNB-CQSZACIVSA-N 1 0 383.290 2.219 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)ccc1Br ZINC000236625191 645414604 /nfs/dbraw/zinc/41/46/04/645414604.db2.gz WHJJDSTVXIROAQ-LLVKDONJSA-N 1 0 377.304 2.303 20 0 GEADRO CC(C)([NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000236633476 645415259 /nfs/dbraw/zinc/41/52/59/645415259.db2.gz WNEPQSGJFGFQRW-UHFFFAOYSA-N 1 0 387.933 2.372 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000236650571 645415899 /nfs/dbraw/zinc/41/58/99/645415899.db2.gz LGOWEFWTXUBAKV-OCCSQVGLSA-N 1 0 382.302 2.292 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000236654543 645416745 /nfs/dbraw/zinc/41/67/45/645416745.db2.gz HILZDMHFZLMERB-ABAIWWIYSA-N 1 0 389.315 2.448 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc2ncc(I)n2c1 ZINC000236664932 645417625 /nfs/dbraw/zinc/41/76/25/645417625.db2.gz QIBSFCXWVVUCLT-NSHDSACASA-N 1 0 386.237 2.042 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)ccc1Cl ZINC000236969620 645421103 /nfs/dbraw/zinc/42/11/03/645421103.db2.gz UQMWMHZGOSPFPL-TZMCWYRMSA-N 1 0 387.933 2.322 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000237003283 645421847 /nfs/dbraw/zinc/42/18/47/645421847.db2.gz UKBDJHYJDOVXNF-ZDUSSCGKSA-N 1 0 387.933 2.242 20 0 GEADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 ZINC000237099653 645422643 /nfs/dbraw/zinc/42/26/43/645422643.db2.gz JEIBQWROQHJLCJ-UHFFFAOYSA-N 1 0 381.281 2.153 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000237114590 645423102 /nfs/dbraw/zinc/42/31/02/645423102.db2.gz IUUDPFFRSZVFRS-LSDHHAIUSA-N 1 0 380.286 2.012 20 0 GEADRO COc1cc(C[NH2+]C2CCN(C)CC2)cc(I)c1OC ZINC000237111910 645423456 /nfs/dbraw/zinc/42/34/56/645423456.db2.gz IYRMPRUFWSEKEL-UHFFFAOYSA-N 1 0 390.265 2.492 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000237141019 645424656 /nfs/dbraw/zinc/42/46/56/645424656.db2.gz ACLHWZUSSSQZGC-JSGCOSHPSA-N 1 0 382.302 2.041 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000237156634 645425463 /nfs/dbraw/zinc/42/54/63/645425463.db2.gz UOBJHGCUJKYJHY-VIFPVBQESA-N 1 0 381.281 2.153 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000237200604 645426888 /nfs/dbraw/zinc/42/68/88/645426888.db2.gz QEBOCKFUXZJEIA-JTQLQIEISA-N 1 0 383.695 2.127 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000237342722 645428457 /nfs/dbraw/zinc/42/84/57/645428457.db2.gz PABXLWJQQHCKCT-ZIAGYGMSSA-N 1 0 394.313 2.260 20 0 GEADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 ZINC000237356470 645429045 /nfs/dbraw/zinc/42/90/45/645429045.db2.gz LXBMQMYUBAJMOT-UHFFFAOYSA-N 1 0 395.308 2.400 20 0 GEADRO CS(=O)(=O)NCC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000237384437 645429662 /nfs/dbraw/zinc/42/96/62/645429662.db2.gz BJFLQQKEHNSGME-LLVKDONJSA-N 1 0 394.337 2.197 20 0 GEADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CC1CC[NH2+]CC1 ZINC000237399658 645430286 /nfs/dbraw/zinc/43/02/86/645430286.db2.gz LJKCSBSHYCEMBT-UHFFFAOYSA-N 1 0 379.404 2.405 20 0 GEADRO C[C@@H](C[NH3+])N(C)C(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000237417865 645431122 /nfs/dbraw/zinc/43/11/22/645431122.db2.gz DGTIVMPWQXGLFR-NSHDSACASA-N 1 0 388.331 2.317 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000237427715 645432006 /nfs/dbraw/zinc/43/20/06/645432006.db2.gz SKDWWTKWOORJBN-UWVGGRQHSA-N 1 0 392.275 2.105 20 0 GEADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(OCCC[NH3+])CC3)cc(Cl)c2O1 ZINC000237500086 645434055 /nfs/dbraw/zinc/43/40/55/645434055.db2.gz ZILKDWINUIXRNF-GFCCVEGCSA-N 1 0 388.917 2.182 20 0 GEADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000237522308 645435324 /nfs/dbraw/zinc/43/53/24/645435324.db2.gz DDDHLKSUXZRXOQ-VXGBXAGGSA-N 1 0 388.295 2.074 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000237520181 645435396 /nfs/dbraw/zinc/43/53/96/645435396.db2.gz KPTNERWYPVUDJH-GFCCVEGCSA-N 1 0 382.302 2.012 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000237557324 645436231 /nfs/dbraw/zinc/43/62/31/645436231.db2.gz FGULRRISJXUSKA-NOZJJQNGSA-N 1 0 392.275 2.105 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000237575641 645436793 /nfs/dbraw/zinc/43/67/93/645436793.db2.gz MVLIXPNMVAGBJK-SMDDNHRTSA-N 1 0 390.347 2.406 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1([NH3+])CCCCC1 ZINC000237590224 645437371 /nfs/dbraw/zinc/43/73/71/645437371.db2.gz NEPLVWGYIQFHSQ-JTQLQIEISA-N 1 0 388.331 2.407 20 0 GEADRO C[C@]1(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[NH2+]C1 ZINC000237593371 645437511 /nfs/dbraw/zinc/43/75/11/645437511.db2.gz XQLSOWOYKWROEX-ABAIWWIYSA-N 1 0 376.810 2.448 20 0 GEADRO C[C@H]1CCCN(C(=O)c2ccc3ncc(I)n3c2)[C@@H]1C[NH3+] ZINC000237654024 645439108 /nfs/dbraw/zinc/43/91/08/645439108.db2.gz XWGCGUYWKDHFEC-CMPLNLGQSA-N 1 0 398.248 2.138 20 0 GEADRO [NH3+]C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000237806299 645442701 /nfs/dbraw/zinc/44/27/01/645442701.db2.gz DBNUTSSELLMKSG-LMWSTFAQSA-N 1 0 380.286 2.188 20 0 GEADRO O=C(c1ccc(Br)c(F)c1)N1CCCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000237813071 645443314 /nfs/dbraw/zinc/44/33/14/645443314.db2.gz SVDBRISAXUYRCR-OAHLLOKOSA-N 1 0 398.276 2.015 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000237828547 645444242 /nfs/dbraw/zinc/44/42/42/645444242.db2.gz BGNKRIVDPWHCIV-UHFFFAOYSA-N 1 0 398.859 2.460 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000237828505 645444287 /nfs/dbraw/zinc/44/42/87/645444287.db2.gz KZSCEQYWOVAQDP-UHFFFAOYSA-N 1 0 382.404 2.104 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237841069 645444609 /nfs/dbraw/zinc/44/46/09/645444609.db2.gz KZOLRDMRSXSONS-UHFFFAOYSA-N 1 0 382.237 2.034 20 0 GEADRO [NH3+]CCC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000237843540 645444699 /nfs/dbraw/zinc/44/46/99/645444699.db2.gz UWIGGPLCTGXQES-ZDUSSCGKSA-N 1 0 379.258 2.435 20 0 GEADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000237860151 645446395 /nfs/dbraw/zinc/44/63/95/645446395.db2.gz LPZOBRKKFNUPDD-MRXNPFEDSA-N 1 0 381.929 2.110 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cc(Br)ccc1O)NCc1ccccc1 ZINC000238048949 645449650 /nfs/dbraw/zinc/44/96/50/645449650.db2.gz YCFNBBBJUYLFEX-UHFFFAOYSA-N 1 0 399.310 2.364 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000238145705 645449960 /nfs/dbraw/zinc/44/99/60/645449960.db2.gz DAYAYAKJRVYHDX-AWEZNQCLSA-N 1 0 385.555 2.042 20 0 GEADRO O[C@@H](CN1CCOCC1)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000245399781 645453100 /nfs/dbraw/zinc/45/31/00/645453100.db2.gz AYOQOUYKKOHTPV-WMLDXEAASA-N 1 0 375.296 2.060 20 0 GEADRO Cc1nc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1Br ZINC000245543558 645459990 /nfs/dbraw/zinc/45/99/90/645459990.db2.gz SNYMNEVYSPWLLO-WPRPVWTQSA-N 1 0 382.349 2.317 20 0 GEADRO Cc1nc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)sc1Br ZINC000245541822 645460384 /nfs/dbraw/zinc/46/03/84/645460384.db2.gz QTMRFNZKBBIHAS-WDEREUQCSA-N 1 0 394.360 2.319 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1COc2ccc(Br)cc21 ZINC000245656017 645465007 /nfs/dbraw/zinc/46/50/07/645465007.db2.gz DNGAXMAYGKMOED-GOEBONIOSA-N 1 0 397.313 2.278 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000245662902 645465247 /nfs/dbraw/zinc/46/52/47/645465247.db2.gz QBZZAUYCWUTFBP-DLBZAZTESA-N 1 0 386.323 2.265 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)c1ccc(I)c(O)c1 ZINC000546898144 651013971 /nfs/dbraw/zinc/01/39/71/651013971.db2.gz HQZLTGYDJKUAHT-UHFFFAOYSA-N 1 0 376.238 2.459 20 0 GEADRO CCS(=O)(=O)C[C@H](C)N(C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000246753157 645492655 /nfs/dbraw/zinc/49/26/55/645492655.db2.gz NEOASVLWPGPDLJ-NWDGAFQWSA-N 1 0 384.325 2.488 20 0 GEADRO Cc1nsc(N2CCC[N@H+](C[C@@H](O)COc3ccccc3Cl)CC2)n1 ZINC000246781169 645494707 /nfs/dbraw/zinc/49/47/07/645494707.db2.gz SQBQUKSAEJHTOX-CQSZACIVSA-N 1 0 382.917 2.452 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000246835063 645496791 /nfs/dbraw/zinc/49/67/91/645496791.db2.gz BVPBEAOOQSJMMS-DZGCQCFKSA-N 1 0 386.901 2.231 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000247043208 645502345 /nfs/dbraw/zinc/50/23/45/645502345.db2.gz FPUTVRZQIVRWOG-KBPBESRZSA-N 1 0 394.313 2.260 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000247078647 645503796 /nfs/dbraw/zinc/50/37/96/645503796.db2.gz CVPGHUQLRLJKAX-BBRMVZONSA-N 1 0 376.469 2.380 20 0 GEADRO O=C(CSc1n[nH]c(Cc2cccs2)n1)NC1CC[NH+](C2CC2)CC1 ZINC000247750080 645517326 /nfs/dbraw/zinc/51/73/26/645517326.db2.gz TVHUWWCAIZEVEA-UHFFFAOYSA-N 1 0 377.539 2.292 20 0 GEADRO Cc1cc(NC(=O)CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1Br ZINC000247769936 645518134 /nfs/dbraw/zinc/51/81/34/645518134.db2.gz OUFHCAMJJASIGK-KGLIPLIRSA-N 1 0 384.318 2.083 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1Br ZINC000247878094 645520676 /nfs/dbraw/zinc/52/06/76/645520676.db2.gz YYULHUMGEYBNEM-KKUMJFAQSA-N 1 0 398.345 2.471 20 0 GEADRO CC[C@H]1CN(CC(=O)Nc2ccc(Br)c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000247880111 645521248 /nfs/dbraw/zinc/52/12/48/645521248.db2.gz ZEERHUOPHPAMQE-HOCLYGCPSA-N 1 0 398.345 2.473 20 0 GEADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC=C(c2cccc(Br)c2)CC1 ZINC000547274858 651020057 /nfs/dbraw/zinc/02/00/57/651020057.db2.gz FNFFWFMIDQQJKQ-SFHVURJKSA-N 1 0 390.325 2.455 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ncc1Br ZINC000248743914 645536548 /nfs/dbraw/zinc/53/65/48/645536548.db2.gz QYUGVCWBSXJPEM-DGCLKSJQSA-N 1 0 397.317 2.328 20 0 GEADRO C[C@H](CO)[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H](C)O ZINC000248914351 645543465 /nfs/dbraw/zinc/54/34/65/645543465.db2.gz JPEIXLMQOVRQEU-OLZOCXBDSA-N 1 0 380.286 2.470 20 0 GEADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cnc1Br ZINC000249128405 645546294 /nfs/dbraw/zinc/54/62/94/645546294.db2.gz CQLKYKYUKUSGDX-AAEUAGOBSA-N 1 0 383.290 2.032 20 0 GEADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ncccc1Br ZINC000249151308 645546982 /nfs/dbraw/zinc/54/69/82/645546982.db2.gz ULCIJTHVUHTPSH-LSDHHAIUSA-N 1 0 390.281 2.209 20 0 GEADRO CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H]1CCCC[C@H]1C ZINC000249301900 645551825 /nfs/dbraw/zinc/55/18/25/645551825.db2.gz CERCTLSVWYRBER-IAGOWNOFSA-N 1 0 375.579 2.063 20 0 GEADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C1 ZINC000249411571 645554119 /nfs/dbraw/zinc/55/41/19/645554119.db2.gz CULYXNFNLHBOHP-UKRRQHHQSA-N 1 0 388.917 2.257 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000547321772 651022466 /nfs/dbraw/zinc/02/24/66/651022466.db2.gz LPNACTLDYPIKEX-LBPRGKRZSA-N 1 0 398.301 2.305 20 0 GEADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1c(Cl)cc(Br)cc1Cl ZINC000252410457 645565481 /nfs/dbraw/zinc/56/54/81/645565481.db2.gz LOCPBTYIQTUDRI-MTBHXBHISA-N 1 0 386.098 2.252 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC000252656763 645566833 /nfs/dbraw/zinc/56/68/33/645566833.db2.gz OAATYTVXMDOAIV-XHBSWPGZSA-N 1 0 382.302 2.225 20 0 GEADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000253188725 645568340 /nfs/dbraw/zinc/56/83/40/645568340.db2.gz KANKYDLJBWRQPS-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO C[NH2+][C@@H](C)Cc1noc(Cc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 ZINC000261613695 645590257 /nfs/dbraw/zinc/59/02/57/645590257.db2.gz BCPLBIWEJVAXLX-LBPRGKRZSA-N 1 0 384.527 2.047 20 0 GEADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000261627950 645591817 /nfs/dbraw/zinc/59/18/17/645591817.db2.gz GWWOKPMJHYPDIC-QWRGUYRKSA-N 1 0 386.823 2.486 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1Br ZINC000261630587 645592440 /nfs/dbraw/zinc/59/24/40/645592440.db2.gz CVOIDBWJCKTSLB-AWEZNQCLSA-N 1 0 377.304 2.207 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(F)(F)c1cccc(Cl)c1 ZINC000261709090 645595420 /nfs/dbraw/zinc/59/54/20/645595420.db2.gz BVBLTJCCYPSIMQ-GFCCVEGCSA-N 1 0 385.764 2.384 20 0 GEADRO COC[C@@]1(CNS(=O)(=O)c2c(Cl)cccc2Br)CCC[NH2+]1 ZINC000261765010 645597946 /nfs/dbraw/zinc/59/79/46/645597946.db2.gz VIBWNBOKLKEUCV-ZDUSSCGKSA-N 1 0 397.722 2.149 20 0 GEADRO O=C(NC[C@H]1CCCN(Cc2ncc(C(F)(F)F)s2)C1)[C@H]1CCC[NH2+]1 ZINC000261782310 645599455 /nfs/dbraw/zinc/59/94/55/645599455.db2.gz FOVLBQLDZPLFLV-VXGBXAGGSA-N 1 0 376.448 2.242 20 0 GEADRO COc1cc(CN2CC[C@@](C)(C[NH3+])C2)cc(I)c1OC ZINC000261809502 645602329 /nfs/dbraw/zinc/60/23/29/645602329.db2.gz OPXBVTJXOKNSGD-HNNXBMFYSA-N 1 0 390.265 2.479 20 0 GEADRO Cc1nn(C)c(C)c1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261821458 645602894 /nfs/dbraw/zinc/60/28/94/645602894.db2.gz SSVIEQXEEBYNOR-KRWDZBQOSA-N 1 0 379.302 2.332 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000261819358 645603073 /nfs/dbraw/zinc/60/30/73/645603073.db2.gz HUUMBKBUOWMMTI-TUAOUCFPSA-N 1 0 375.357 2.307 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261824474 645603907 /nfs/dbraw/zinc/60/39/07/645603907.db2.gz YFZZCMXBRJJXON-XHDPSFHLSA-N 1 0 387.265 2.289 20 0 GEADRO C[C@@]([NH3+])(C(=O)NCc1ccc(OCCO)cc1)c1ccc(Br)cc1 ZINC000261881197 645608796 /nfs/dbraw/zinc/60/87/96/645608796.db2.gz ZDDHIVDZHVWLQE-SFHVURJKSA-N 1 0 393.281 2.311 20 0 GEADRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261898900 645610096 /nfs/dbraw/zinc/61/00/96/645610096.db2.gz RJSYVANSXDULLP-FZMZJTMJSA-N 1 0 379.810 2.060 20 0 GEADRO Cc1ccc(Br)cc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261924010 645612627 /nfs/dbraw/zinc/61/26/27/645612627.db2.gz VMQKYGDOPVXSGH-CYBMUJFWSA-N 1 0 394.235 2.323 20 0 GEADRO C[C@@H](NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000262243237 645621870 /nfs/dbraw/zinc/62/18/70/645621870.db2.gz RQRUQGSBAZUROP-LLVKDONJSA-N 1 0 378.416 2.049 20 0 GEADRO O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262323240 645627151 /nfs/dbraw/zinc/62/71/51/645627151.db2.gz SFOORQJWAKKZEQ-WCQYABFASA-N 1 0 382.283 2.158 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000262429370 645630164 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[NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000262612019 645639871 /nfs/dbraw/zinc/63/98/71/645639871.db2.gz FFJUKISLMCVMDF-KCQAQPDRSA-N 1 0 394.313 2.436 20 0 GEADRO Cc1c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000262724245 645642333 /nfs/dbraw/zinc/64/23/33/645642333.db2.gz GOKWVJSMBREWOK-HZMBPMFUSA-N 1 0 378.274 2.066 20 0 GEADRO Cc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1S(=O)(=O)NC(C)(C)C ZINC000262740877 645643632 /nfs/dbraw/zinc/64/36/32/645643632.db2.gz DSEFIACMHDFKLA-CQSZACIVSA-N 1 0 385.555 2.105 20 0 GEADRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000262738379 645643757 /nfs/dbraw/zinc/64/37/57/645643757.db2.gz BDVWSQXVYVKWJV-UKRRQHHQSA-N 1 0 390.933 2.407 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262749209 645644353 /nfs/dbraw/zinc/64/43/53/645644353.db2.gz FWYKHOUMROESGL-RKDXNWHRSA-N 1 0 397.722 2.482 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262749194 645644389 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CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC000285979621 646862725 /nfs/dbraw/zinc/86/27/25/646862725.db2.gz LYTAMQRIGXJYHF-MRXNPFEDSA-N 1 0 387.977 2.076 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000286023581 646864670 /nfs/dbraw/zinc/86/46/70/646864670.db2.gz PJRXAOGEWVZPOV-NSHDSACASA-N 1 0 399.866 2.273 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000286300570 646868822 /nfs/dbraw/zinc/86/88/22/646868822.db2.gz XLHOFPJBSXNHTG-ORXSELOVSA-N 1 0 388.331 2.132 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1Br ZINC000287346780 646884686 /nfs/dbraw/zinc/88/46/86/646884686.db2.gz GSJOGLFYQWZPCK-NSHDSACASA-N 1 0 398.276 2.436 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(C)CCc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000287960619 646903276 /nfs/dbraw/zinc/90/32/76/646903276.db2.gz QYKRKSWWJQLHOD-CYBMUJFWSA-N 1 0 396.329 2.049 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000289406176 646933250 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C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3cc4c(cc3Br)OCCO4)C2)C1 ZINC000292488119 647193859 /nfs/dbraw/zinc/19/38/59/647193859.db2.gz FEBKXTUTVAHXPQ-SFHVURJKSA-N 1 0 395.297 2.317 20 0 GEADRO C[C@@](O)(C[NH+]1CCC(NC(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000292885578 647211371 /nfs/dbraw/zinc/21/13/71/647211371.db2.gz UPIVNZSOCGYGIX-OAHLLOKOSA-N 1 0 390.709 2.443 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296253485 647249154 /nfs/dbraw/zinc/24/91/54/647249154.db2.gz RVSJQHPRIGBCSC-YHWZYXNKSA-N 1 0 396.285 2.138 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1sccc1Br ZINC000296900682 647256188 /nfs/dbraw/zinc/25/61/88/647256188.db2.gz VUJLZMNQZIRKLY-LLVKDONJSA-N 1 0 375.332 2.357 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)c1cc(Cl)c(Br)cc1F ZINC000297093753 647260759 /nfs/dbraw/zinc/26/07/59/647260759.db2.gz WRVILQNQSIJZMK-UHFFFAOYSA-N 1 0 379.657 2.428 20 0 GEADRO CC[N@H+](C)CCNC(=O)NCc1c(Br)cncc1Br ZINC000297095808 647261217 /nfs/dbraw/zinc/26/12/17/647261217.db2.gz FQGIIEOFXIXWCO-UHFFFAOYSA-N 1 0 394.111 2.358 20 0 GEADRO COc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(Br)c1 ZINC000323801791 647298456 /nfs/dbraw/zinc/29/84/56/647298456.db2.gz JDPBHSZQVFXYKX-UHFFFAOYSA-N 1 0 399.310 2.437 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)COc1ccc(Cl)c(Cl)c1 ZINC000325845809 647304091 /nfs/dbraw/zinc/30/40/91/647304091.db2.gz TUPNQMMGHYDJSM-UMVBOHGHSA-N 1 0 375.296 2.186 20 0 GEADRO Cc1cnc(N)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000329132375 647318838 /nfs/dbraw/zinc/31/88/38/647318838.db2.gz PDWHGJPMEUCFKW-CJNGLKHVSA-N 1 0 380.539 2.395 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)[C@H](C)C1 ZINC000330520278 647340660 /nfs/dbraw/zinc/34/06/60/647340660.db2.gz KWNQKJVNMMLLBA-OLZOCXBDSA-N 1 0 384.311 2.461 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330919170 647358932 /nfs/dbraw/zinc/35/89/32/647358932.db2.gz YDNQEJZNPIAWCC-VWYCJHECSA-N 1 0 388.331 2.228 20 0 GEADRO Cc1cc(Br)ccc1C[N@@H+](C)CC1(O)CCS(=O)(=O)CC1 ZINC000331307379 647379035 /nfs/dbraw/zinc/37/90/35/647379035.db2.gz WGEWNXAAHRNEIO-UHFFFAOYSA-N 1 0 376.316 2.129 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331591548 647391892 /nfs/dbraw/zinc/39/18/92/647391892.db2.gz PUCJLRXBJNPGQY-QGZVFWFLSA-N 1 0 398.276 2.437 20 0 GEADRO C[C@@H]1CN(C(=O)c2cnc3ccc(Br)cc3c2O)C[C@@H]1[NH+](C)C ZINC000331899499 647402495 /nfs/dbraw/zinc/40/24/95/647402495.db2.gz BLGPTSOCDFEDPH-BMIGLBTASA-N 1 0 378.270 2.313 20 0 GEADRO CC(C)[C@H]1CN(C(=O)c2ccc(Br)cc2-n2cncn2)CC[N@@H+]1C ZINC000331906379 647402949 /nfs/dbraw/zinc/40/29/49/647402949.db2.gz IIHXNTPERLOXPD-MRXNPFEDSA-N 1 0 392.301 2.442 20 0 GEADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000332004992 647406343 /nfs/dbraw/zinc/40/63/43/647406343.db2.gz JEPKRJQLXCFAQJ-XJKSGUPXSA-N 1 0 394.313 2.264 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)C[C@H]21 ZINC000332309286 647430448 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CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000367919386 647747594 /nfs/dbraw/zinc/74/75/94/647747594.db2.gz XMFGKLRSQADUBZ-ZFWWWQNUSA-N 1 0 385.917 2.316 20 0 GEADRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)nn1-c1ccc(Br)cc1 ZINC000368162014 647751570 /nfs/dbraw/zinc/75/15/70/647751570.db2.gz JXCBFFYFLVZVFS-BLLLJJGKSA-N 1 0 375.270 2.377 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(I)ccc3O)C[C@H]21 ZINC000368595378 647760426 /nfs/dbraw/zinc/76/04/26/647760426.db2.gz SOPFSCJCCFWAQW-GXFFZTMASA-N 1 0 386.233 2.163 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368632342 647762200 /nfs/dbraw/zinc/76/22/00/647762200.db2.gz KQJXYRSZKUFCOR-ZDUSSCGKSA-N 1 0 377.279 2.317 20 0 GEADRO Cn1cc(Br)cc(NC(=O)NCCc2cn3c(n2)CCCC3)c1=O ZINC000370226176 647783308 /nfs/dbraw/zinc/78/33/08/647783308.db2.gz CYBCULCCJLNGQW-UHFFFAOYSA-N 1 0 394.273 2.045 20 0 GEADRO CN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1CCC[NH2+]CC1 ZINC000372571752 647806695 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VBQZYVBNQYWWFB-PBHICJAKSA-N 1 0 384.929 2.447 20 0 GEADRO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376355256 647843394 /nfs/dbraw/zinc/84/33/94/647843394.db2.gz VSRIUJUPRJBWBF-WFASDCNBSA-N 1 0 386.901 2.374 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000376406286 647844587 /nfs/dbraw/zinc/84/45/87/647844587.db2.gz HRSFWQZKDOORKL-WBMJQRKESA-N 1 0 385.917 2.410 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1[C@H]2COC[C@H]21 ZINC000377218428 647856511 /nfs/dbraw/zinc/85/65/11/647856511.db2.gz UUTRJJLEEAAVDF-OSYLJGHBSA-N 1 0 396.329 2.415 20 0 GEADRO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)Cn3cc(Br)cn3)C2)nn1 ZINC000377248646 647857811 /nfs/dbraw/zinc/85/78/11/647857811.db2.gz HFEHAINMKJMNBV-UKRRQHHQSA-N 1 0 379.306 2.391 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)ccc1Br ZINC000377685496 647865164 /nfs/dbraw/zinc/86/51/64/647865164.db2.gz ZFTWBMMCTGJDGG-OUCADQQQSA-N 1 0 380.286 2.152 20 0 GEADRO O=Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000377866289 647869904 /nfs/dbraw/zinc/86/99/04/647869904.db2.gz OHYAOIZCKYHEHA-KGLIPLIRSA-N 1 0 381.270 2.383 20 0 GEADRO NS(=O)(=O)c1cnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000378614242 647885369 /nfs/dbraw/zinc/88/53/69/647885369.db2.gz DTXKCEFKZXHNAW-CABCVRRESA-N 1 0 378.523 2.034 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(CCOc1cccc(Br)c1)C2=O ZINC000391748176 647894082 /nfs/dbraw/zinc/89/40/82/647894082.db2.gz NITJREWSVXKTPR-PXAZEXFGSA-N 1 0 396.285 2.267 20 0 GEADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1Br ZINC000400105384 647902167 /nfs/dbraw/zinc/90/21/67/647902167.db2.gz BWMPMKRMCLFDQM-ZYHUDNBSSA-N 1 0 377.304 2.142 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404644019 647907755 /nfs/dbraw/zinc/90/77/55/647907755.db2.gz FKCJUVWCWAPCAZ-UHFFFAOYSA-N 1 0 392.301 2.166 20 0 GEADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCC[C@@](O)(C(N)=O)C2)c1C ZINC000408035784 647920076 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COC(=O)[C@H]1CN(C(=O)N[C@H](C)c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413042057 648058496 /nfs/dbraw/zinc/05/84/96/648058496.db2.gz KHMPEFGJTXCCTH-TZMCWYRMSA-N 1 0 398.301 2.256 20 0 GEADRO Cc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)ncc1Br ZINC000413475689 648065744 /nfs/dbraw/zinc/06/57/44/648065744.db2.gz CWIZWDWRNGERRF-UHFFFAOYSA-N 1 0 383.334 2.361 20 0 GEADRO COC(=O)[C@H]1CN(c2ccc(Br)c(C(F)(F)F)n2)CC[N@H+](C)C1 ZINC000413503379 648068200 /nfs/dbraw/zinc/06/82/00/648068200.db2.gz RYDVKQXGUOXOAB-SECBINFHSA-N 1 0 396.207 2.404 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1Cl ZINC000414277177 648089531 /nfs/dbraw/zinc/08/95/31/648089531.db2.gz VFOMTEQPLCVSSI-UHFFFAOYSA-N 1 0 380.901 2.272 20 0 GEADRO C[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(Br)c(F)c1 ZINC000414344038 648096855 /nfs/dbraw/zinc/09/68/55/648096855.db2.gz BZYRGCBMPJWGKX-SNVBAGLBSA-N 1 0 384.253 2.410 20 0 GEADRO COC[C@@]1(CNC(=O)Nc2ccc(I)cc2)CCC[NH2+]1 ZINC000414672196 648099643 /nfs/dbraw/zinc/09/96/43/648099643.db2.gz AIDLSPAKVJTSAZ-AWEZNQCLSA-N 1 0 389.237 2.181 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2Br)CCO1 ZINC000414689046 648099919 /nfs/dbraw/zinc/09/99/19/648099919.db2.gz FIACIDLXELSKGO-SECBINFHSA-N 1 0 393.079 2.403 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCC2([NH3+])CCC2)ccc1Cl ZINC000414710569 648100435 /nfs/dbraw/zinc/10/04/35/648100435.db2.gz GLRVWPXPWDDBPL-UHFFFAOYSA-N 1 0 388.921 2.373 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000414721756 648102508 /nfs/dbraw/zinc/10/25/08/648102508.db2.gz IHCFHOXNUYQLLQ-LBPRGKRZSA-N 1 0 388.921 2.373 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000415415692 648103718 /nfs/dbraw/zinc/10/37/18/648103718.db2.gz QYRHXNMQAYAPIN-JTQLQIEISA-N 1 0 375.803 2.386 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000415420249 648104280 /nfs/dbraw/zinc/10/42/80/648104280.db2.gz ASCZEXMDMOYLTR-LBPRGKRZSA-N 1 0 386.290 2.194 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415418088 648104325 /nfs/dbraw/zinc/10/43/25/648104325.db2.gz NWDVENWVFYUYCG-SSDOTTSWSA-N 1 0 398.179 2.092 20 0 GEADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415472278 648106027 /nfs/dbraw/zinc/10/60/27/648106027.db2.gz VXQLGKDKWQHDAW-DTORHVGOSA-N 1 0 386.221 2.058 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415604193 648110236 /nfs/dbraw/zinc/11/02/36/648110236.db2.gz BONPLWFHPCOHLN-RDDDGLTNSA-N 1 0 392.656 2.294 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415624114 648110823 /nfs/dbraw/zinc/11/08/23/648110823.db2.gz JLIWWTRVBFISRB-SNVBAGLBSA-N 1 0 379.766 2.435 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000415809491 648113279 /nfs/dbraw/zinc/11/32/79/648113279.db2.gz PGSZEJBSGKDQDQ-UHFFFAOYSA-N 1 0 391.331 2.069 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415810415 648113326 /nfs/dbraw/zinc/11/33/26/648113326.db2.gz XBLJQDQAKCGFLJ-JTQLQIEISA-N 1 0 390.228 2.314 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl)[C@H](C)[NH3+] ZINC000415816654 648114341 /nfs/dbraw/zinc/11/43/41/648114341.db2.gz YCHJODHOMWDZEN-VHSXEESVSA-N 1 0 384.267 2.029 20 0 GEADRO C[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl)[C@H](C)[NH3+] ZINC000415817087 648114424 /nfs/dbraw/zinc/11/44/24/648114424.db2.gz YKQSPVMSKGLYAK-VHSXEESVSA-N 1 0 384.267 2.029 20 0 GEADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C1 ZINC000416410987 648117029 /nfs/dbraw/zinc/11/70/29/648117029.db2.gz HUNAIRWLYXQCJA-LBPRGKRZSA-N 1 0 376.906 2.320 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)CCOCC2CCCC2)CC1 ZINC000416417693 648120060 /nfs/dbraw/zinc/12/00/60/648120060.db2.gz ODPCURVLCQHFTG-UHFFFAOYSA-N 1 0 376.563 2.002 20 0 GEADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416523255 648158599 /nfs/dbraw/zinc/15/85/99/648158599.db2.gz JXIDLJAQUQLICL-AWEZNQCLSA-N 1 0 387.933 2.113 20 0 GEADRO COC(=O)c1cccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000416563444 648172556 /nfs/dbraw/zinc/17/25/56/648172556.db2.gz RGDFGOAJQYBBKN-UHFFFAOYSA-N 1 0 382.507 2.287 20 0 GEADRO Cc1ccsc1S(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000416615742 648189104 /nfs/dbraw/zinc/18/91/04/648189104.db2.gz NKZGHWQJVKWFRD-UHFFFAOYSA-N 1 0 380.535 2.362 20 0 GEADRO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000416715480 648209007 /nfs/dbraw/zinc/20/90/07/648209007.db2.gz BJWLZSLIBYKXRI-IUODEOHRSA-N 1 0 397.317 2.007 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(Br)ccc2C)CC[N@H+](C)C1 ZINC000416783844 648212223 /nfs/dbraw/zinc/21/22/23/648212223.db2.gz WJIFTOCSNKMWOE-GFCCVEGCSA-N 1 0 384.274 2.326 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000416833821 648214178 /nfs/dbraw/zinc/21/41/78/648214178.db2.gz RJDQUOWDEVFCEK-WCQYABFASA-N 1 0 397.317 2.322 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000416834675 648214239 /nfs/dbraw/zinc/21/42/39/648214239.db2.gz SKZXVUDMAUXLAL-UHFFFAOYSA-N 1 0 385.306 2.322 20 0 GEADRO C[C@H](NC(=O)N1CCC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000417167954 648227337 /nfs/dbraw/zinc/22/73/37/648227337.db2.gz ACLOVTCCPYDHBJ-NSHDSACASA-N 1 0 384.274 2.286 20 0 GEADRO Cc1csc([C@H](NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)C(F)(F)F)n1 ZINC000417175441 648228609 /nfs/dbraw/zinc/22/86/09/648228609.db2.gz JMZGTTQCGQGTQN-TUAOUCFPSA-N 1 0 380.436 2.151 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000417177840 648228864 /nfs/dbraw/zinc/22/88/64/648228864.db2.gz MDUIKNWKZKDDHC-AWEZNQCLSA-N 1 0 396.329 2.488 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417212323 648232535 /nfs/dbraw/zinc/23/25/35/648232535.db2.gz GSIAGOTUNXIFKU-AWEZNQCLSA-N 1 0 383.290 2.301 20 0 GEADRO O=C(CCNC(=O)NCCC[NH2+]C1CC1)Nc1ccc(Br)cc1 ZINC000417221503 648233588 /nfs/dbraw/zinc/23/35/88/648233588.db2.gz JKVQIIQRRPZRFO-UHFFFAOYSA-N 1 0 383.290 2.219 20 0 GEADRO [NH3+]C[C@H](NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000417221109 648233832 /nfs/dbraw/zinc/23/38/32/648233832.db2.gz NGNIEHDGZZIHGE-INIZCTEOSA-N 1 0 387.933 2.321 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417225502 648234325 /nfs/dbraw/zinc/23/43/25/648234325.db2.gz NWRXXUHKFBFPNS-NWDGAFQWSA-N 1 0 383.290 2.156 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000417224794 648234362 /nfs/dbraw/zinc/23/43/62/648234362.db2.gz WHUWIYDUARXAEB-HDJSIYSDSA-N 1 0 387.933 2.178 20 0 GEADRO C[NH2+][C@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417231582 648235568 /nfs/dbraw/zinc/23/55/68/648235568.db2.gz YTFSTUBVMZBEPT-AWEZNQCLSA-N 1 0 383.290 2.171 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000417230555 648235618 /nfs/dbraw/zinc/23/56/18/648235618.db2.gz ZGROPDQCUKDWBT-LLVKDONJSA-N 1 0 380.290 2.366 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417230700 648235631 /nfs/dbraw/zinc/23/56/31/648235631.db2.gz WMEMTANMUXYYEW-BXUZGUMPSA-N 1 0 383.290 2.075 20 0 GEADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC[C@H]1CCC[NH2+]1 ZINC000417257304 648236980 /nfs/dbraw/zinc/23/69/80/648236980.db2.gz CDJVIQNKFPRRHM-UKRRQHHQSA-N 1 0 381.318 2.327 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417304953 648239151 /nfs/dbraw/zinc/23/91/51/648239151.db2.gz VQQPIEYOKFCSOS-LBPRGKRZSA-N 1 0 386.290 2.393 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417368282 648240915 /nfs/dbraw/zinc/24/09/15/648240915.db2.gz OAGMRPULEMHYRD-AWEZNQCLSA-N 1 0 383.290 2.123 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417370613 648241551 /nfs/dbraw/zinc/24/15/51/648241551.db2.gz UFMLWVCDSXWVRI-CYBMUJFWSA-N 1 0 383.290 2.219 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cccc(Br)c2)CC12CCOCC2 ZINC000417392783 648242919 /nfs/dbraw/zinc/24/29/19/648242919.db2.gz BSYFKTIZGPPRBY-CQSZACIVSA-N 1 0 382.302 2.346 20 0 GEADRO COc1cc(CNC(=O)N2CC[NH2+]C(C)(C)C2)cc(Br)c1OC ZINC000417383859 648242957 /nfs/dbraw/zinc/24/29/57/648242957.db2.gz ZSLSBJRVAAWNKR-UHFFFAOYSA-N 1 0 386.290 2.360 20 0 GEADRO [NH3+]C1CCC(NC(=O)NCCCNC(=O)c2cccc(Br)c2)CC1 ZINC000417434622 648244782 /nfs/dbraw/zinc/24/47/82/648244782.db2.gz MAJAIDNEEITSQC-UHFFFAOYSA-N 1 0 397.317 2.138 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCCc2ccc(I)s2)CC[NH2+]1 ZINC000417435436 648245456 /nfs/dbraw/zinc/24/54/56/648245456.db2.gz BKZTZPIDRJXBRR-NXEZZACHSA-N 1 0 393.294 2.335 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000417480904 648248570 /nfs/dbraw/zinc/24/85/70/648248570.db2.gz NEDOCQPANDMURV-SNPRPXQTSA-N 1 0 381.318 2.468 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417485080 648249578 /nfs/dbraw/zinc/24/95/78/648249578.db2.gz VZARYPRDBXZKCB-INWMFGNUSA-N 1 0 381.318 2.325 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417492285 648250400 /nfs/dbraw/zinc/25/04/00/648250400.db2.gz UWQVMUGTGCWIMD-ABAIWWIYSA-N 1 0 397.317 2.383 20 0 GEADRO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000417506208 648250695 /nfs/dbraw/zinc/25/06/95/648250695.db2.gz OWERYQQKVXMHNI-VXGBXAGGSA-N 1 0 376.835 2.209 20 0 GEADRO O=C(NCCSCCOc1cccc(Br)c1)N[C@@H]1CC[NH2+]C1 ZINC000417596725 648254955 /nfs/dbraw/zinc/25/49/55/648254955.db2.gz QVAMBFFZKBLHQD-CYBMUJFWSA-N 1 0 388.331 2.222 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417603162 648255560 /nfs/dbraw/zinc/25/55/60/648255560.db2.gz QIALYESPOFVMRB-VNHYZAJKSA-N 1 0 381.318 2.325 20 0 GEADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417604473 648255928 /nfs/dbraw/zinc/25/59/28/648255928.db2.gz UWUJSFAVZVKXNC-RDTXWAMCSA-N 1 0 393.329 2.423 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417604989 648256037 /nfs/dbraw/zinc/25/60/37/648256037.db2.gz WNRRHCOPPFMVLD-MJBXVCDLSA-N 1 0 381.318 2.407 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)[C@H]1C ZINC000417605277 648256523 /nfs/dbraw/zinc/25/65/23/648256523.db2.gz XKJDHNOXYSUOHX-MELADBBJSA-N 1 0 381.318 2.420 20 0 GEADRO CC[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)Cc1cccc(Br)c1 ZINC000417724377 648259259 /nfs/dbraw/zinc/25/92/59/648259259.db2.gz NRXKZWAQMVKTRP-CJNGLKHVSA-N 1 0 384.318 2.305 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417731362 648259703 /nfs/dbraw/zinc/25/97/03/648259703.db2.gz OSSACUAYESSJII-GHMZBOCLSA-N 1 0 393.289 2.113 20 0 GEADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NCC[C@H]1CC[NH2+]C1 ZINC000417735102 648260417 /nfs/dbraw/zinc/26/04/17/648260417.db2.gz KWPDHDNJVHMJSJ-SNVBAGLBSA-N 1 0 380.798 2.431 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(F)cc2I)CC1 ZINC000417819652 648262539 /nfs/dbraw/zinc/26/25/39/648262539.db2.gz XGUMWGAFSTZXOX-AWEZNQCLSA-N 1 0 392.256 2.319 20 0 GEADRO CCS[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417824710 648262573 /nfs/dbraw/zinc/26/25/73/648262573.db2.gz KXPVWFWQIAFKJA-MGPQQGTHSA-N 1 0 382.496 2.186 20 0 GEADRO CCS[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417824977 648263058 /nfs/dbraw/zinc/26/30/58/648263058.db2.gz ASKJEQSOUUAKGP-MGPQQGTHSA-N 1 0 382.496 2.186 20 0 GEADRO C[NH2+]CCCNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417873589 648263896 /nfs/dbraw/zinc/26/38/96/648263896.db2.gz LZRYAORGZFYQCD-NSHDSACASA-N 1 0 379.814 2.241 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000417885392 648264431 /nfs/dbraw/zinc/26/44/31/648264431.db2.gz IUPVRADUEXJPKX-OAHLLOKOSA-N 1 0 395.345 2.404 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417885404 648264548 /nfs/dbraw/zinc/26/45/48/648264548.db2.gz IWQNYZZRBVRMJH-STQMWFEESA-N 1 0 383.334 2.448 20 0 GEADRO CC1(C)C[C@@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)CO1 ZINC000417889887 648264921 /nfs/dbraw/zinc/26/49/21/648264921.db2.gz AWEZXVFAPRFWLW-OLZOCXBDSA-N 1 0 391.249 2.188 20 0 GEADRO CC1(C)C[C@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)CO1 ZINC000417889889 648265093 /nfs/dbraw/zinc/26/50/93/648265093.db2.gz AWEZXVFAPRFWLW-STQMWFEESA-N 1 0 391.249 2.188 20 0 GEADRO C[NH2+]CCCNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417896559 648265618 /nfs/dbraw/zinc/26/56/18/648265618.db2.gz PMIOLNHDTXRIMT-SNVBAGLBSA-N 1 0 382.262 2.469 20 0 GEADRO C[C@H](C[NH2+]Cc1ccc(F)cc1I)CN1CCOCC1 ZINC000417920245 648266622 /nfs/dbraw/zinc/26/66/22/648266622.db2.gz DFBUUFWUVBYOLW-GFCCVEGCSA-N 1 0 392.256 2.488 20 0 GEADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1I ZINC000417961972 648266973 /nfs/dbraw/zinc/26/69/73/648266973.db2.gz ZASBAOIZJQIWBL-DGCLKSJQSA-N 1 0 376.213 2.435 20 0 GEADRO [NH3+]CCCNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417950771 648267082 /nfs/dbraw/zinc/26/70/82/648267082.db2.gz KQUAWKRDLHTTEZ-UHFFFAOYSA-N 1 0 384.196 2.495 20 0 GEADRO OCC1(C[NH2+]Cc2ccc(F)cc2I)CCOCC1 ZINC000417945912 648267341 /nfs/dbraw/zinc/26/73/41/648267341.db2.gz GBQWPLMDSKQOPX-UHFFFAOYSA-N 1 0 379.213 2.309 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCCOCc2ccc(Cl)cc2Cl)CCCO1 ZINC000417976483 648267709 /nfs/dbraw/zinc/26/77/09/648267709.db2.gz BCZMYDXDBCFHID-CQSZACIVSA-N 1 0 376.284 2.269 20 0 GEADRO CN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC[NH2+]CC1 ZINC000417979919 648267749 /nfs/dbraw/zinc/26/77/49/648267749.db2.gz ABFHNGDDECNTOW-OAHLLOKOSA-N 1 0 385.295 2.492 20 0 GEADRO [NH3+]CC1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000418000364 648268772 /nfs/dbraw/zinc/26/87/72/648268772.db2.gz WYUYEWQCCRKVJW-OAHLLOKOSA-N 1 0 385.295 2.479 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418006659 648268944 /nfs/dbraw/zinc/26/89/44/648268944.db2.gz PMKWNLRXKAVVNV-RHSMWYFYSA-N 1 0 385.295 2.479 20 0 GEADRO O=C(NCCOCc1ccc(Cl)cc1Cl)NC[C@H]1C[NH2+]CCCO1 ZINC000418003815 648269181 /nfs/dbraw/zinc/26/91/81/648269181.db2.gz NALGSWPCVZWLTK-CQSZACIVSA-N 1 0 376.284 2.188 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418012566 648269569 /nfs/dbraw/zinc/26/95/69/648269569.db2.gz VXOKXMAMYDDSMV-ABAIWWIYSA-N 1 0 385.295 2.492 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)nc12 ZINC000418018783 648270851 /nfs/dbraw/zinc/27/08/51/648270851.db2.gz JMNHYWUGHOFRQM-NSHDSACASA-N 1 0 390.232 2.187 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)NCC3([NH3+])CCC3)C2=O)ccc1Br ZINC000418018697 648270893 /nfs/dbraw/zinc/27/08/93/648270893.db2.gz VMNSKNHTCGAZBC-CQSZACIVSA-N 1 0 395.301 2.043 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418019508 648270927 /nfs/dbraw/zinc/27/09/27/648270927.db2.gz XKSBLWWYXYDYSO-XHDPSFHLSA-N 1 0 397.317 2.018 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000418036078 648272547 /nfs/dbraw/zinc/27/25/47/648272547.db2.gz VLQIFBCSMVZTHU-SJORKVTESA-N 1 0 396.329 2.448 20 0 GEADRO C[C@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)s1 ZINC000418044266 648273247 /nfs/dbraw/zinc/27/32/47/648273247.db2.gz AOYAPZINGFUFQL-RYUDHWBXSA-N 1 0 387.347 2.261 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418055023 648273740 /nfs/dbraw/zinc/27/37/40/648273740.db2.gz ATHJNFRVRRVVLV-JSGCOSHPSA-N 1 0 385.295 2.492 20 0 GEADRO C[C@@H](CCCC(F)(F)F)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418061468 648274150 /nfs/dbraw/zinc/27/41/50/648274150.db2.gz ATRGKSLDZGWVNJ-WDEREUQCSA-N 1 0 378.361 2.243 20 0 GEADRO C[C@H](CCCC(F)(F)F)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418061466 648274182 /nfs/dbraw/zinc/27/41/82/648274182.db2.gz ATRGKSLDZGWVNJ-MNOVXSKESA-N 1 0 378.361 2.243 20 0 GEADRO CS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000418071124 648275070 /nfs/dbraw/zinc/27/50/70/648275070.db2.gz IIZKMLTTWDGJNR-YDHLFZDLSA-N 1 0 385.917 2.012 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[C@H]1[NH3+] ZINC000418077688 648275388 /nfs/dbraw/zinc/27/53/88/648275388.db2.gz IFJSLLFLXXXZEY-LERXQTSPSA-N 1 0 385.295 2.477 20 0 GEADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[C@@H]1[NH3+] ZINC000418077690 648275466 /nfs/dbraw/zinc/27/54/66/648275466.db2.gz IFJSLLFLXXXZEY-SWHYSGLUSA-N 1 0 385.295 2.477 20 0 GEADRO CCn1c(CNC(=O)N2CC[C@H]([NH2+]C)C2)nc2cc(Br)ccc21 ZINC000418072940 648275505 /nfs/dbraw/zinc/27/55/05/648275505.db2.gz YYBQARKPGHPKSC-LBPRGKRZSA-N 1 0 380.290 2.322 20 0 GEADRO CC(C)(C[NH3+])NC(=O)NCc1ccc(Cl)cc1I ZINC000418086134 648277364 /nfs/dbraw/zinc/27/73/64/648277364.db2.gz BVEBTMJMFHIYHJ-UHFFFAOYSA-N 1 0 381.645 2.481 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418086666 648277404 /nfs/dbraw/zinc/27/74/04/648277404.db2.gz DBVKPVRFPXYFHD-LBPRGKRZSA-N 1 0 378.274 2.125 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418088101 648277828 /nfs/dbraw/zinc/27/78/28/648277828.db2.gz JIZDMSXSSWCIFP-DZGCQCFKSA-N 1 0 397.317 2.371 20 0 GEADRO O=C(NCc1ccc(Cl)cc1I)N[C@H]1CC[NH2+]C1 ZINC000418096938 648279187 /nfs/dbraw/zinc/27/91/87/648279187.db2.gz XXFQXDDMSRCBGZ-JTQLQIEISA-N 1 0 379.629 2.106 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418100290 648279677 /nfs/dbraw/zinc/27/96/77/648279677.db2.gz OKEZBMJLFZTAER-XPKDYRNWSA-N 1 0 381.318 2.325 20 0 GEADRO OC[C@@H]([NH2+]Cc1ccc(F)cc1I)[C@H]1CCCOC1 ZINC000418106439 648280588 /nfs/dbraw/zinc/28/05/88/648280588.db2.gz XGJVSIZAWVHHRG-SMDDNHRTSA-N 1 0 379.213 2.307 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418106922 648280611 /nfs/dbraw/zinc/28/06/11/648280611.db2.gz YKWPNGAVGASEFB-KCQAQPDRSA-N 1 0 381.318 2.407 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418107360 648280939 /nfs/dbraw/zinc/28/09/39/648280939.db2.gz ZCXWOLPDHZOETK-XNRPHZJLSA-N 1 0 381.318 2.325 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCCCn3cc(Br)cn3)C[C@@H]21 ZINC000418110538 648281597 /nfs/dbraw/zinc/28/15/97/648281597.db2.gz WJWMKCGAQOLLQJ-AEGPPILISA-N 1 0 384.322 2.195 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000418115194 648282008 /nfs/dbraw/zinc/28/20/08/648282008.db2.gz PBBFQONAGKTUAI-UONOGXRCSA-N 1 0 399.329 2.497 20 0 GEADRO CO[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@H](C[NH3+])C1 ZINC000418122436 648282922 /nfs/dbraw/zinc/28/29/22/648282922.db2.gz JYJHLJQCMBUHSI-LMRQPLJMSA-N 1 0 382.302 2.453 20 0 GEADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000418126639 648283306 /nfs/dbraw/zinc/28/33/06/648283306.db2.gz MEXJWOAXAPHPSI-YNEHKIRRSA-N 1 0 399.358 2.056 20 0 GEADRO Cc1cc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)ccc1I ZINC000418138559 648284254 /nfs/dbraw/zinc/28/42/54/648284254.db2.gz GLWUOFFWERTFSD-OAHLLOKOSA-N 1 0 387.265 2.480 20 0 GEADRO O=C(NCc1ccc(I)c(Cl)c1)NC[C@@H]1CCC[NH2+]1 ZINC000418154521 648285444 /nfs/dbraw/zinc/28/54/44/648285444.db2.gz JYUXNIRNRARRIH-JTQLQIEISA-N 1 0 393.656 2.496 20 0 GEADRO CO[C@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)[C@H](C[NH3+])C1 ZINC000418174554 648286648 /nfs/dbraw/zinc/28/66/48/648286648.db2.gz DLIGEIIXYGGWLH-QWRGUYRKSA-N 1 0 392.244 2.375 20 0 GEADRO COCC[C@@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000418173885 648286845 /nfs/dbraw/zinc/28/68/45/648286845.db2.gz TUOLQVDBKSRYCP-CZUORRHYSA-N 1 0 389.327 2.274 20 0 GEADRO C[NH2+]CCNC(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000418183293 648287054 /nfs/dbraw/zinc/28/70/54/648287054.db2.gz LNKWMMSHBUFTES-AWEZNQCLSA-N 1 0 397.317 2.080 20 0 GEADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418218296 648287846 /nfs/dbraw/zinc/28/78/46/648287846.db2.gz QOWVGZYZDNYDCE-HIFRSBDPSA-N 1 0 382.302 2.442 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418225885 648288106 /nfs/dbraw/zinc/28/81/06/648288106.db2.gz AAYPFIBTZZXUDH-CJNGLKHVSA-N 1 0 387.933 2.321 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418230477 648288568 /nfs/dbraw/zinc/28/85/68/648288568.db2.gz JHVOTUBAJOULMX-CQSZACIVSA-N 1 0 375.922 2.176 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCc1c(Br)cncc1Br)C1CC1 ZINC000418234125 648289125 /nfs/dbraw/zinc/28/91/25/648289125.db2.gz ICJUGHPNTZMFPX-LLVKDONJSA-N 1 0 392.095 2.143 20 0 GEADRO O=C(NCc1c(Br)cncc1Br)N[C@@H]1CCC[NH2+]C1 ZINC000418238426 648289372 /nfs/dbraw/zinc/28/93/72/648289372.db2.gz PELUTMGYJNPFJT-MRVPVSSYSA-N 1 0 392.095 2.158 20 0 GEADRO CCC[NH2+]CCNC(=O)NCc1c(Br)cncc1Br ZINC000418236155 648289391 /nfs/dbraw/zinc/28/93/91/648289391.db2.gz MBXSBCDCIVTJEA-UHFFFAOYSA-N 1 0 394.111 2.405 20 0 GEADRO O=C(NCc1c(Br)cncc1Br)NC[C@H]1CCC[NH2+]1 ZINC000418243254 648290240 /nfs/dbraw/zinc/29/02/40/648290240.db2.gz WBDKJIXJQPEJAV-MRVPVSSYSA-N 1 0 392.095 2.158 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418284319 648290778 /nfs/dbraw/zinc/29/07/78/648290778.db2.gz BOHKXLIRPBORAX-UHFFFAOYSA-N 1 0 383.334 2.276 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000418297135 648291708 /nfs/dbraw/zinc/29/17/08/648291708.db2.gz KJCOHJHWJVTKFP-KRWDZBQOSA-N 1 0 376.551 2.372 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418314801 648292586 /nfs/dbraw/zinc/29/25/86/648292586.db2.gz JQSUQGYZUVBQKR-GJZGRUSLSA-N 1 0 398.345 2.207 20 0 GEADRO O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000418344288 648294044 /nfs/dbraw/zinc/29/40/44/648294044.db2.gz AXUZJCLFBFEWFF-DZGCQCFKSA-N 1 0 399.276 2.227 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418356413 648294448 /nfs/dbraw/zinc/29/44/48/648294448.db2.gz CAFXJRZIONKPRK-NSHDSACASA-N 1 0 376.320 2.421 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418359352 648294471 /nfs/dbraw/zinc/29/44/71/648294471.db2.gz FFBORVMMIQXVHQ-BBRMVZONSA-N 1 0 381.318 2.199 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418367787 648294837 /nfs/dbraw/zinc/29/48/37/648294837.db2.gz LPIOSUXSYGLAPJ-CQSZACIVSA-N 1 0 399.308 2.167 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418389754 648296028 /nfs/dbraw/zinc/29/60/28/648296028.db2.gz WSDLRIXDVMGITF-ZDUSSCGKSA-N 1 0 396.289 2.202 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000418400444 648296550 /nfs/dbraw/zinc/29/65/50/648296550.db2.gz GYDFKOCPKIWFBR-OAHLLOKOSA-N 1 0 387.311 2.444 20 0 GEADRO O=C(NCC1C[NH2+]C1)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418494611 648298131 /nfs/dbraw/zinc/29/81/31/648298131.db2.gz YKQDEDNIJMZPAE-LBPRGKRZSA-N 1 0 396.207 2.020 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000418491447 648298167 /nfs/dbraw/zinc/29/81/67/648298167.db2.gz OGLNACDNPGCBDQ-ZIAGYGMSSA-N 1 0 383.334 2.432 20 0 GEADRO [NH3+][C@H](CNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000418497458 648298405 /nfs/dbraw/zinc/29/84/05/648298405.db2.gz KCVFCDLERPCQDQ-OAHLLOKOSA-N 1 0 385.295 2.198 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418491445 648298432 /nfs/dbraw/zinc/29/84/32/648298432.db2.gz OGLNACDNPGCBDQ-KGLIPLIRSA-N 1 0 383.334 2.432 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000418510815 648299091 /nfs/dbraw/zinc/29/90/91/648299091.db2.gz QLHVATDGNPSFGF-UHFFFAOYSA-N 1 0 382.302 2.484 20 0 GEADRO COCC[NH2+]CCNC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000418505722 648299160 /nfs/dbraw/zinc/29/91/60/648299160.db2.gz GBVLUBSAJUKHNV-UHFFFAOYSA-N 1 0 384.318 2.358 20 0 GEADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418577225 648302675 /nfs/dbraw/zinc/30/26/75/648302675.db2.gz OVDVDPBJUUSRRT-GDBMZVCRSA-N 1 0 398.345 2.350 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)C1 ZINC000418588146 648303072 /nfs/dbraw/zinc/30/30/72/648303072.db2.gz RQYBVUDPOWELAW-KGLIPLIRSA-N 1 0 388.281 2.362 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418594999 648303951 /nfs/dbraw/zinc/30/39/51/648303951.db2.gz NTMIQOZNBOYFQA-XJKSGUPXSA-N 1 0 381.318 2.279 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418609088 648304422 /nfs/dbraw/zinc/30/44/22/648304422.db2.gz ZXAWGPSXWUQWKK-GFCCVEGCSA-N 1 0 389.363 2.336 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC(C)(C)COc2ncccc2Br)CC[NH2+]1 ZINC000418615785 648305297 /nfs/dbraw/zinc/30/52/97/648305297.db2.gz YHPHUVMQNOXZLB-VXGBXAGGSA-N 1 0 385.306 2.441 20 0 GEADRO [NH3+]C[C@H](NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)C1CCCC1 ZINC000418625890 648305646 /nfs/dbraw/zinc/30/56/46/648305646.db2.gz RCRCJGAKGPNMMV-GJZGRUSLSA-N 1 0 388.281 2.438 20 0 GEADRO COC[C@]1(CNC(=O)N(C)CCc2cccc(Br)c2)CCC[NH2+]1 ZINC000418633369 648306035 /nfs/dbraw/zinc/30/60/35/648306035.db2.gz IDPMJWJNMLKKFD-QGZVFWFLSA-N 1 0 384.318 2.402 20 0 GEADRO COC[C@@]1(CNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000418648861 648306469 /nfs/dbraw/zinc/30/64/69/648306469.db2.gz DIDWVRYHOODBMT-KRWDZBQOSA-N 1 0 390.311 2.266 20 0 GEADRO COC[C@]1(CNC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)CCC[NH2+]1 ZINC000418660013 648306530 /nfs/dbraw/zinc/30/65/30/648306530.db2.gz WQWZVDRDWFTTOT-CQSZACIVSA-N 1 0 380.436 2.465 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)N[C@@H](C)CCC[NH3+])cc1Br ZINC000418706480 648307713 /nfs/dbraw/zinc/30/77/13/648307713.db2.gz OSMFBDQXXQRYDH-DZGCQCFKSA-N 1 0 386.334 2.335 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000418724361 648308435 /nfs/dbraw/zinc/30/84/35/648308435.db2.gz OEWOUMUTGUUYPN-JVLSTEMRSA-N 1 0 388.281 2.438 20 0 GEADRO C[C@@H](NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)[C@H](C)[NH3+] ZINC000418737369 648308809 /nfs/dbraw/zinc/30/88/09/648308809.db2.gz ZLJKHNOBOOQERP-NWDGAFQWSA-N 1 0 387.297 2.151 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000418730566 648308817 /nfs/dbraw/zinc/30/88/17/648308817.db2.gz SMYVUHGNEYPESG-BFYDXBDKSA-N 1 0 398.345 2.417 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000418752425 648309299 /nfs/dbraw/zinc/30/92/99/648309299.db2.gz BTIHGNNHQSYRRM-QGZVFWFLSA-N 1 0 393.329 2.151 20 0 GEADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000418753944 648309687 /nfs/dbraw/zinc/30/96/87/648309687.db2.gz HSCMBTPIMHHRRT-GFCCVEGCSA-N 1 0 378.876 2.226 20 0 GEADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418765207 648310408 /nfs/dbraw/zinc/31/04/08/648310408.db2.gz PEKSSNJVABNYPC-LRDDRELGSA-N 1 0 377.897 2.333 20 0 GEADRO O=C(NCCc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418768636 648310959 /nfs/dbraw/zinc/31/09/59/648310959.db2.gz UHHVSNWNPOWVDY-HZSPNIEDSA-N 1 0 384.307 2.156 20 0 GEADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418771422 648311291 /nfs/dbraw/zinc/31/12/91/648311291.db2.gz VTVLTFIGOWJFTH-CABCVRRESA-N 1 0 395.345 2.199 20 0 GEADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N(CCO)Cc1cccc(Br)c1 ZINC000418774406 648311903 /nfs/dbraw/zinc/31/19/03/648311903.db2.gz RIRHNUGJQQBISW-INIZCTEOSA-N 1 0 384.318 2.485 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)C1 ZINC000418779314 648312102 /nfs/dbraw/zinc/31/21/02/648312102.db2.gz BAGXYSGJWYEARB-NFAWXSAZSA-N 1 0 384.318 2.027 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000418775136 648312199 /nfs/dbraw/zinc/31/21/99/648312199.db2.gz WBSYWOBWQVQQGI-WBVHZDCISA-N 1 0 395.345 2.404 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)C1 ZINC000418801590 648313084 /nfs/dbraw/zinc/31/30/84/648313084.db2.gz XOBBQZCSHPTLFY-FZMZJTMJSA-N 1 0 388.281 2.220 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418821623 648314385 /nfs/dbraw/zinc/31/43/85/648314385.db2.gz GUGLFRJODCTEFL-UNIGVISCSA-N 1 0 394.313 2.007 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418821618 648314424 /nfs/dbraw/zinc/31/44/24/648314424.db2.gz GUGLFRJODCTEFL-CQJJVWNLSA-N 1 0 394.313 2.007 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418832033 648315391 /nfs/dbraw/zinc/31/53/91/648315391.db2.gz HBBGBTOXBIUVLP-ITMYJUKJSA-N 1 0 376.259 2.424 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418832031 648315472 /nfs/dbraw/zinc/31/54/72/648315472.db2.gz HBBGBTOXBIUVLP-FZNYLWTLSA-N 1 0 376.259 2.424 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418835865 648315787 /nfs/dbraw/zinc/31/57/87/648315787.db2.gz UDRXKDUPGIPJTR-CORIIIEPSA-N 1 0 382.302 2.055 20 0 GEADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418838938 648316175 /nfs/dbraw/zinc/31/61/75/648316175.db2.gz WAYBAKFOGCDMKO-SLBVQIDZSA-N 1 0 394.313 2.055 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000418840000 648316274 /nfs/dbraw/zinc/31/62/74/648316274.db2.gz XGUZIVGUPADNKR-SHPPOPEUSA-N 1 0 394.313 2.007 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418858236 648318517 /nfs/dbraw/zinc/31/85/17/648318517.db2.gz VJYGEIGMPUHCAC-SWLSCSKDSA-N 1 0 382.302 2.007 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000418867006 648319412 /nfs/dbraw/zinc/31/94/12/648319412.db2.gz OQZZMHDYMNQETE-YRGRVCCFSA-N 1 0 382.302 2.070 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000418874199 648320349 /nfs/dbraw/zinc/32/03/49/648320349.db2.gz ZGIAZDOZXBKSSW-YWPYICTPSA-N 1 0 382.302 2.212 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000418872973 648320419 /nfs/dbraw/zinc/32/04/19/648320419.db2.gz XNIJUQBQHVRSGJ-IUODEOHRSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418897656 648321951 /nfs/dbraw/zinc/32/19/51/648321951.db2.gz XJUBEEHVMVYMJD-RKOGSIPDSA-N 1 0 384.307 2.470 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418897658 648322076 /nfs/dbraw/zinc/32/20/76/648322076.db2.gz XJUBEEHVMVYMJD-VSBTWAGUSA-N 1 0 384.307 2.470 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418937763 648322911 /nfs/dbraw/zinc/32/29/11/648322911.db2.gz GCJMDOIISXXBER-VBNZEHGJSA-N 1 0 394.313 2.186 20 0 GEADRO CN(C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21)[C@H]1CCC[NH2+]CC1 ZINC000418940858 648323256 /nfs/dbraw/zinc/32/32/56/648323256.db2.gz JMQMNPSVHSJICR-GOEBONIOSA-N 1 0 394.313 2.153 20 0 GEADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)[C@H]1C[NH3+] ZINC000418941377 648323309 /nfs/dbraw/zinc/32/33/09/648323309.db2.gz KIUVCKLGDIRDQC-LYRGGWFBSA-N 1 0 394.313 2.138 20 0 GEADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)c1cc(Cl)ccc1Cl ZINC000418947538 648323950 /nfs/dbraw/zinc/32/39/50/648323950.db2.gz BAXWUVHKADOUFG-BHDSKKPTSA-N 1 0 388.295 2.400 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418949014 648324604 /nfs/dbraw/zinc/32/46/04/648324604.db2.gz UNMLRVABYGTDHM-UKRRQHHQSA-N 1 0 382.302 2.042 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418951296 648324917 /nfs/dbraw/zinc/32/49/17/648324917.db2.gz XBPKTFZWWSZXQF-UKRRQHHQSA-N 1 0 382.302 2.186 20 0 GEADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)C(=O)NC1CC[NH2+]CC1 ZINC000418955942 648325107 /nfs/dbraw/zinc/32/51/07/648325107.db2.gz YTJIAUSBAZWPLB-INIZCTEOSA-N 1 0 394.313 2.275 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000418953579 648325211 /nfs/dbraw/zinc/32/52/11/648325211.db2.gz WSQAWRGULTVPIY-HOTGVXAUSA-N 1 0 394.313 2.260 20 0 GEADRO CO[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)[C@H](C[NH3+])C1 ZINC000418954574 648325288 /nfs/dbraw/zinc/32/52/88/648325288.db2.gz OIRAGWRFMUSCCM-DRZSPHRISA-N 1 0 388.295 2.135 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000418994296 648326925 /nfs/dbraw/zinc/32/69/25/648326925.db2.gz QBMJCTPGBQGZPH-HIFRSBDPSA-N 1 0 382.302 2.007 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)c1nc(C(F)(F)F)cs1 ZINC000419045730 648329780 /nfs/dbraw/zinc/32/97/80/648329780.db2.gz TXHCUHBWKUHIOU-UWVGGRQHSA-N 1 0 380.436 2.219 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419046908 648329994 /nfs/dbraw/zinc/32/99/94/648329994.db2.gz WUQUTBMCFZTMNJ-LBPRGKRZSA-N 1 0 377.819 2.047 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419051258 648330492 /nfs/dbraw/zinc/33/04/92/648330492.db2.gz FPBGNOPIMILWHY-HIFRSBDPSA-N 1 0 396.329 2.002 20 0 GEADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419056932 648331440 /nfs/dbraw/zinc/33/14/40/648331440.db2.gz SMWDSVHAVQCJHC-KDOFPFPSSA-N 1 0 396.329 2.084 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419073922 648332599 /nfs/dbraw/zinc/33/25/99/648332599.db2.gz SLKNQWQQPDUKGF-CYBMUJFWSA-N 1 0 390.709 2.208 20 0 GEADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419088914 648333435 /nfs/dbraw/zinc/33/34/35/648333435.db2.gz CFNJLZKZEWSYIE-KSSFIOAISA-N 1 0 382.291 2.309 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419095069 648333588 /nfs/dbraw/zinc/33/35/88/648333588.db2.gz LNIZIRKWVIFTOB-SNVBAGLBSA-N 1 0 378.325 2.148 20 0 GEADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419094941 648333640 /nfs/dbraw/zinc/33/36/40/648333640.db2.gz KDPZMBKSXONBDK-ZIBATOQPSA-N 1 0 382.291 2.165 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)NCCSCc2ccc(Cl)cc2Cl)CC1 ZINC000419098225 648333754 /nfs/dbraw/zinc/33/37/54/648333754.db2.gz QYOOURQETRBCAE-UHFFFAOYSA-N 1 0 390.336 2.293 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419099184 648334031 /nfs/dbraw/zinc/33/40/31/648334031.db2.gz HWLNKKBGUWYCDX-LLVKDONJSA-N 1 0 380.901 2.072 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCCCC1 ZINC000419099733 648334129 /nfs/dbraw/zinc/33/41/29/648334129.db2.gz ILOXTGPTSKMACH-UHFFFAOYSA-N 1 0 380.901 2.344 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419121331 648334944 /nfs/dbraw/zinc/33/49/44/648334944.db2.gz DDQJPWCNTXTPCY-LRDDRELGSA-N 1 0 377.897 2.414 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419132556 648336171 /nfs/dbraw/zinc/33/61/71/648336171.db2.gz HWBZLHCYFZTYDT-LBPRGKRZSA-N 1 0 390.709 2.352 20 0 GEADRO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000419151146 648337101 /nfs/dbraw/zinc/33/71/01/648337101.db2.gz NEBMEWCXAYJNCF-SWLSCSKDSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000419154520 648337681 /nfs/dbraw/zinc/33/76/81/648337681.db2.gz RMKVBYSTOCVAPY-WHOFXGATSA-N 1 0 382.302 2.260 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)C[C@@H]21 ZINC000419155386 648337822 /nfs/dbraw/zinc/33/78/22/648337822.db2.gz SVSSMAFEWZZGTL-VBNZEHGJSA-N 1 0 384.307 2.238 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1 ZINC000419156088 648337826 /nfs/dbraw/zinc/33/78/26/648337826.db2.gz UQMOVDGBGQYPLD-NHYWBVRUSA-N 1 0 382.302 2.260 20 0 GEADRO O=C(NCC1(c2ccc(Cl)cc2Cl)CCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419155455 648337893 /nfs/dbraw/zinc/33/78/93/648337893.db2.gz RMHUUMOBLYYFJR-ZDUSSCGKSA-N 1 0 384.307 2.400 20 0 GEADRO O=C(NCC1(c2ccc(Cl)cc2Cl)CCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419155453 648338049 /nfs/dbraw/zinc/33/80/49/648338049.db2.gz RMHUUMOBLYYFJR-CYBMUJFWSA-N 1 0 384.307 2.400 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000419179270 648339801 /nfs/dbraw/zinc/33/98/01/648339801.db2.gz VRPYVRAPDDCGJZ-GFCCVEGCSA-N 1 0 384.307 2.400 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Br ZINC000419184221 648340330 /nfs/dbraw/zinc/34/03/30/648340330.db2.gz JONCQEXDROSPPG-QWHCGFSZSA-N 1 0 396.329 2.229 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000419189188 648340708 /nfs/dbraw/zinc/34/07/08/648340708.db2.gz PFMXDBUFFRCFCH-OLZOCXBDSA-N 1 0 396.329 2.039 20 0 GEADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCc1csc(Br)c1 ZINC000419280406 648343786 /nfs/dbraw/zinc/34/37/86/648343786.db2.gz KKORAGKRSJCQIL-UHFFFAOYSA-N 1 0 396.310 2.114 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000419278533 648343868 /nfs/dbraw/zinc/34/38/68/648343868.db2.gz HSQDACLGFLHXFX-QWHCGFSZSA-N 1 0 386.323 2.499 20 0 GEADRO C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000419286029 648344505 /nfs/dbraw/zinc/34/45/05/648344505.db2.gz NOPFGYFYYWPJBM-STQMWFEESA-N 1 0 382.302 2.132 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419295828 648345317 /nfs/dbraw/zinc/34/53/17/648345317.db2.gz DEHWPQNCONHROL-XJKSGUPXSA-N 1 0 396.329 2.410 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419297181 648345468 /nfs/dbraw/zinc/34/54/68/648345468.db2.gz FXHDKLUMEVTUBL-GOSISDBHSA-N 1 0 394.313 2.037 20 0 GEADRO COc1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(Br)c1OC ZINC000419324044 648347186 /nfs/dbraw/zinc/34/71/86/648347186.db2.gz JLZDICNVJOAZGU-STQMWFEESA-N 1 0 387.318 2.353 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000419339147 648348259 /nfs/dbraw/zinc/34/82/59/648348259.db2.gz ZVVNDDVCJPAELB-UMVBOHGHSA-N 1 0 377.312 2.120 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)Cc1cccc(Br)c1 ZINC000419366153 648350427 /nfs/dbraw/zinc/35/04/27/648350427.db2.gz SBKCLGGZHYJSKS-CJNGLKHVSA-N 1 0 398.345 2.234 20 0 GEADRO CC[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000419364696 648350498 /nfs/dbraw/zinc/35/04/98/648350498.db2.gz PYVYQMIRYQTUQC-ZDUSSCGKSA-N 1 0 396.329 2.002 20 0 GEADRO CC(C)(C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C1(O)CCOCC1 ZINC000419379849 648351040 /nfs/dbraw/zinc/35/10/40/648351040.db2.gz XDGNVFJSXKHYBZ-CQSZACIVSA-N 1 0 385.302 2.133 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2ccc(F)cc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000419433657 648352219 /nfs/dbraw/zinc/35/22/19/648352219.db2.gz INRMRWVOQYMKMB-NEPJUHHUSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000419451373 648353395 /nfs/dbraw/zinc/35/33/95/648353395.db2.gz NIDAYYOWKXGSFN-KGLIPLIRSA-N 1 0 384.318 2.088 20 0 GEADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419500788 648354493 /nfs/dbraw/zinc/35/44/93/648354493.db2.gz ADJHRJSQHVZDBW-STQMWFEESA-N 1 0 396.329 2.039 20 0 GEADRO C[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)CC1 ZINC000419501420 648354521 /nfs/dbraw/zinc/35/45/21/648354521.db2.gz BJIPEJBDARFKOD-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1cccc(Br)c1 ZINC000419519479 648355578 /nfs/dbraw/zinc/35/55/78/648355578.db2.gz GEGQZYXSXCQYOK-UHFFFAOYSA-N 1 0 396.329 2.053 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000419515653 648355715 /nfs/dbraw/zinc/35/57/15/648355715.db2.gz FVLWQEZHJGGLLP-UTJXIGIESA-N 1 0 396.329 2.402 20 0 GEADRO CN(C(=O)C(=O)N[C@H]1CCc2c1cccc2Br)[C@@H]1CCC[NH2+]CC1 ZINC000419580566 648356579 /nfs/dbraw/zinc/35/65/79/648356579.db2.gz BRSXVTHTFYEAJT-WBMJQRKESA-N 1 0 394.313 2.153 20 0 GEADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419585911 648356967 /nfs/dbraw/zinc/35/69/67/648356967.db2.gz KYBGXDKRACMFBJ-ABAIWWIYSA-N 1 0 382.302 2.042 20 0 GEADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)NCc1cccc(Br)c1 ZINC000419638999 648358847 /nfs/dbraw/zinc/35/88/47/648358847.db2.gz JMUWOAHQBPNJCQ-UHFFFAOYSA-N 1 0 396.329 2.494 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000419629509 648358972 /nfs/dbraw/zinc/35/89/72/648358972.db2.gz LGPZKLLZJZNXCW-SDBXPKJASA-N 1 0 377.794 2.390 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)n1C ZINC000419695987 648366128 /nfs/dbraw/zinc/36/61/28/648366128.db2.gz NRVZUIBPIIBFME-ZDUSSCGKSA-N 1 0 381.318 2.189 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000419704597 648367723 /nfs/dbraw/zinc/36/77/23/648367723.db2.gz HTFSRWSOXCDEMI-QWRGUYRKSA-N 1 0 388.331 2.288 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1Br ZINC000419712343 648369476 /nfs/dbraw/zinc/36/94/76/648369476.db2.gz PCDBCNYVBMEAQB-LLVKDONJSA-N 1 0 377.304 2.003 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2COc3ccccc32)cc1Br ZINC000419714424 648370028 /nfs/dbraw/zinc/37/00/28/648370028.db2.gz XYAXCSVADCIFHI-GFCCVEGCSA-N 1 0 397.294 2.362 20 0 GEADRO Cc1cc(C)c(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cn1 ZINC000419716235 648370345 /nfs/dbraw/zinc/37/03/45/648370345.db2.gz XIGAQRHZAPMFSB-UHFFFAOYSA-N 1 0 384.299 2.398 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419717047 648370947 /nfs/dbraw/zinc/37/09/47/648370947.db2.gz UNRFSMDITGOUHC-WDEREUQCSA-N 1 0 388.331 2.288 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCCCC1 ZINC000419728385 648371779 /nfs/dbraw/zinc/37/17/79/648371779.db2.gz NCPDLXFOUZGVCL-GFCCVEGCSA-N 1 0 386.279 2.321 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419770484 648376820 /nfs/dbraw/zinc/37/68/20/648376820.db2.gz DMMAOZLUSKZCRH-CQSZACIVSA-N 1 0 386.265 2.011 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC000419772589 648377295 /nfs/dbraw/zinc/37/72/95/648377295.db2.gz GRYVYKAPKKSASY-CQSZACIVSA-N 1 0 388.281 2.271 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000419804240 648380073 /nfs/dbraw/zinc/38/00/73/648380073.db2.gz CWARCGYPMZPHIS-QWHCGFSZSA-N 1 0 396.329 2.039 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000419819887 648381979 /nfs/dbraw/zinc/38/19/79/648381979.db2.gz NPEOVTWSKKRGAO-LBPRGKRZSA-N 1 0 377.794 2.270 20 0 GEADRO CCCN(C(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000419822849 648382230 /nfs/dbraw/zinc/38/22/30/648382230.db2.gz OCWCEXBUHPSGJD-BBRMVZONSA-N 1 0 396.329 2.097 20 0 GEADRO CC(C)(CNC(=O)C(=O)NCCC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000419829049 648383246 /nfs/dbraw/zinc/38/32/46/648383246.db2.gz VCVPIUYQZZVXIY-UHFFFAOYSA-N 1 0 396.329 2.101 20 0 GEADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000419833666 648383718 /nfs/dbraw/zinc/38/37/18/648383718.db2.gz ZCLQPEYTHQEUCJ-GJZGRUSLSA-N 1 0 396.329 2.229 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419840419 648384292 /nfs/dbraw/zinc/38/42/92/648384292.db2.gz IVNLZZCUXLAXDJ-SWLSCSKDSA-N 1 0 398.276 2.120 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000419852637 648385297 /nfs/dbraw/zinc/38/52/97/648385297.db2.gz QXJRRPZNYBQBME-OAHLLOKOSA-N 1 0 398.276 2.120 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1)C1CC1 ZINC000419853767 648385868 /nfs/dbraw/zinc/38/58/68/648385868.db2.gz BACLSHGWQNJKRW-INIZCTEOSA-N 1 0 394.313 2.041 20 0 GEADRO Cn1ncc(I)c1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419893476 648386701 /nfs/dbraw/zinc/38/67/01/648386701.db2.gz MEAIAHWCVGWUER-UHFFFAOYSA-N 1 0 390.269 2.067 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000419891038 648386733 /nfs/dbraw/zinc/38/67/33/648386733.db2.gz MQGBIMYKSIKEKL-CABCVRRESA-N 1 0 398.276 2.120 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1)[C@H]1CCC[NH2+]C1 ZINC000419900171 648387368 /nfs/dbraw/zinc/38/73/68/648387368.db2.gz SGLZNGKRHURPET-RYUDHWBXSA-N 1 0 384.307 2.382 20 0 GEADRO C[C@H](NC(=O)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419900170 648387407 /nfs/dbraw/zinc/38/74/07/648387407.db2.gz SGLZNGKRHURPET-NWDGAFQWSA-N 1 0 384.307 2.382 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419927744 648388998 /nfs/dbraw/zinc/38/89/98/648388998.db2.gz KGCKMCKJSQFEHD-CYBMUJFWSA-N 1 0 396.310 2.285 20 0 GEADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000419924593 648389082 /nfs/dbraw/zinc/38/90/82/648389082.db2.gz CPBXJVWNRUGPSN-LBPRGKRZSA-N 1 0 384.307 2.384 20 0 GEADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419927748 648389107 /nfs/dbraw/zinc/38/91/07/648389107.db2.gz KGCKMCKJSQFEHD-ZDUSSCGKSA-N 1 0 396.310 2.285 20 0 GEADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419928546 648389552 /nfs/dbraw/zinc/38/95/52/648389552.db2.gz LBPIBHDYWDHBRN-ZDUSSCGKSA-N 1 0 396.310 2.285 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419937782 648389874 /nfs/dbraw/zinc/38/98/74/648389874.db2.gz OIHUAOQSYUCLBC-OAHLLOKOSA-N 1 0 394.313 2.198 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419940053 648390343 /nfs/dbraw/zinc/39/03/43/648390343.db2.gz KADHGQNPZCZSHU-CYBMUJFWSA-N 1 0 384.318 2.145 20 0 GEADRO Cc1cc(C2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)ccc1Br ZINC000419950076 648391187 /nfs/dbraw/zinc/39/11/87/648391187.db2.gz GXNFDGQIZFIIED-LBPRGKRZSA-N 1 0 396.329 2.175 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419986061 648392882 /nfs/dbraw/zinc/39/28/82/648392882.db2.gz XDBVBEAPNVJSHN-ZDUSSCGKSA-N 1 0 394.313 2.037 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H](C)CC[NH3+])ccc1Br ZINC000419985350 648392915 /nfs/dbraw/zinc/39/29/15/648392915.db2.gz AYZCEMAQNHDXBZ-WFASDCNBSA-N 1 0 382.302 2.275 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419997295 648394169 /nfs/dbraw/zinc/39/41/69/648394169.db2.gz JVMXXRPDVWRSBQ-CQSZACIVSA-N 1 0 382.302 2.056 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(Br)c2c1OCCC2 ZINC000419998598 648394173 /nfs/dbraw/zinc/39/41/73/648394173.db2.gz NCIUOYFHBAVPQQ-QGZVFWFLSA-N 1 0 385.302 2.207 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420013380 648395874 /nfs/dbraw/zinc/39/58/74/648395874.db2.gz JREJSVGZIOTUTQ-HNNXBMFYSA-N 1 0 384.318 2.287 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420013778 648395899 /nfs/dbraw/zinc/39/58/99/648395899.db2.gz JMSHQRWLXBFYSQ-BBRMVZONSA-N 1 0 396.329 2.350 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N[C@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420014882 648395991 /nfs/dbraw/zinc/39/59/91/648395991.db2.gz PEBFIFYTKXLZND-MNOVXSKESA-N 1 0 376.284 2.073 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000420022019 648396444 /nfs/dbraw/zinc/39/64/44/648396444.db2.gz VHLZJSYRTQXIDF-HNNXBMFYSA-N 1 0 396.329 2.039 20 0 GEADRO CC[C@@H](CN(C)C(=O)C(=O)N[C@@H](C)C[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420030091 648396859 /nfs/dbraw/zinc/39/68/59/648396859.db2.gz PEBFIFYTKXLZND-QWRGUYRKSA-N 1 0 376.284 2.073 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420026364 648397023 /nfs/dbraw/zinc/39/70/23/648397023.db2.gz BSYOZSNODRKHJF-HIFRSBDPSA-N 1 0 382.302 2.041 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(c2ccccc2Br)CC1)C1CC1 ZINC000420053850 648398216 /nfs/dbraw/zinc/39/82/16/648398216.db2.gz DUZHNROIFQFCMF-MRXNPFEDSA-N 1 0 394.313 2.009 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420067985 648399315 /nfs/dbraw/zinc/39/93/15/648399315.db2.gz SNHWJQALDJTPIH-ZWNOBZJWSA-N 1 0 388.331 2.103 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420086191 648400566 /nfs/dbraw/zinc/40/05/66/648400566.db2.gz CGJTWZRSIWULIP-UHFFFAOYSA-N 1 0 382.302 2.185 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420085569 648400575 /nfs/dbraw/zinc/40/05/75/648400575.db2.gz NPEZIIDOGWYJKR-INIZCTEOSA-N 1 0 396.329 2.350 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420090663 648401169 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GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420152320 648405986 /nfs/dbraw/zinc/40/59/86/648405986.db2.gz ZAOQZBMTSMXMLJ-BLLLJJGKSA-N 1 0 394.313 2.054 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000420177280 648408276 /nfs/dbraw/zinc/40/82/76/648408276.db2.gz YOVCULPJKKMVMS-MLGOLLRUSA-N 1 0 377.535 2.398 20 0 GEADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420215161 648409787 /nfs/dbraw/zinc/40/97/87/648409787.db2.gz RZZCJDXLFVTARV-RWMBFGLXSA-N 1 0 384.307 2.456 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)Nc1ccccc1I ZINC000420358281 648414078 /nfs/dbraw/zinc/41/40/78/648414078.db2.gz FFGVYDYTQLAOLQ-HFAKWTLXSA-N 1 0 387.265 2.206 20 0 GEADRO CC1(C)C[NH2+]CC[C@H]1NCCS(=O)(=O)c1cccc(Br)c1 ZINC000420367033 648414787 /nfs/dbraw/zinc/41/47/87/648414787.db2.gz RVRMNGSCDVHOOH-CQSZACIVSA-N 1 0 375.332 2.201 20 0 GEADRO O=S(=O)(c1ccc(Br)cc1C(F)(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420445217 648416429 /nfs/dbraw/zinc/41/64/29/648416429.db2.gz DMYVFFVMOZONMF-KCJUWKMLSA-N 1 0 399.232 2.450 20 0 GEADRO O=S(=O)(c1cc(C(F)(F)F)ccc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420446094 648416972 /nfs/dbraw/zinc/41/69/72/648416972.db2.gz GMRFDZTWFZTXEU-KCJUWKMLSA-N 1 0 399.232 2.450 20 0 GEADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1OCCC1CC1 ZINC000420450465 648417565 /nfs/dbraw/zinc/41/75/65/648417565.db2.gz HIJJUMAHXYILGN-HNNXBMFYSA-N 1 0 388.917 2.176 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000420450252 648417648 /nfs/dbraw/zinc/41/76/48/648417648.db2.gz GWUHDHYKKKLDIF-WDEREUQCSA-N 1 0 377.304 2.254 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000420450249 648417672 /nfs/dbraw/zinc/41/76/72/648417672.db2.gz GWUHDHYKKKLDIF-QWRGUYRKSA-N 1 0 377.304 2.254 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420462659 648418233 /nfs/dbraw/zinc/41/82/33/648418233.db2.gz VWFMPQJOENECCV-SGMGOOAPSA-N 1 0 376.906 2.159 20 0 GEADRO CCOc1ccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1Br ZINC000420462768 648418332 /nfs/dbraw/zinc/41/83/32/648418332.db2.gz QWPFKFVDIHNMJT-IAQYHMDHSA-N 1 0 391.331 2.453 20 0 GEADRO Cc1csc(S(=O)(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)c1 ZINC000420468081 648418710 /nfs/dbraw/zinc/41/87/10/648418710.db2.gz FPMTWQBLGYOKRY-UHFFFAOYSA-N 1 0 379.551 2.328 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000420468163 648418852 /nfs/dbraw/zinc/41/88/52/648418852.db2.gz ZMTNHDSCVDEIBF-QMTHXVAHSA-N 1 0 377.304 2.063 20 0 GEADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000420469615 648419315 /nfs/dbraw/zinc/41/93/15/648419315.db2.gz JXMQJHOMZVMCBI-UHFFFAOYSA-N 1 0 385.711 2.341 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)s1 ZINC000420472442 648420212 /nfs/dbraw/zinc/42/02/12/648420212.db2.gz SCAFMCDTNFFNFE-UHFFFAOYSA-N 1 0 379.551 2.328 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420473100 648420390 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CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCc3c2cccc3Br)CC1 ZINC000421188291 648468599 /nfs/dbraw/zinc/46/85/99/648468599.db2.gz WEIGPTVGGMODSF-UHFFFAOYSA-N 1 0 394.313 2.281 20 0 GEADRO CN(C(=O)C(=O)N1CCc2c1cccc2Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000421212840 648471426 /nfs/dbraw/zinc/47/14/26/648471426.db2.gz YOWAMKIAHRHMIC-ZDUSSCGKSA-N 1 0 392.297 2.033 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCc3c2cccc3Br)CC[N@@H+]1C ZINC000421224396 648473567 /nfs/dbraw/zinc/47/35/67/648473567.db2.gz LFAJJYAEVLDATQ-OLZOCXBDSA-N 1 0 394.313 2.279 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421229185 648475118 /nfs/dbraw/zinc/47/51/18/648475118.db2.gz GDINGWGGEWLUHB-UHFFFAOYSA-N 1 0 394.313 2.329 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCc3c2cccc3Br)CC1 ZINC000421285619 648483389 /nfs/dbraw/zinc/48/33/89/648483389.db2.gz BJLYEEGWSBNUFW-UHFFFAOYSA-N 1 0 394.313 2.327 20 0 GEADRO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000421289933 648484212 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C[NH+](C)C1CCC(NC(=O)C(=O)NCc2sccc2Br)CC1 ZINC000422285905 648533973 /nfs/dbraw/zinc/53/39/73/648533973.db2.gz UUMUSYIIJFLOST-UHFFFAOYSA-N 1 0 388.331 2.116 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cc(C)ccc2Br)C1 ZINC000422510135 648553228 /nfs/dbraw/zinc/55/32/28/648553228.db2.gz ADQBVDUCUZOMOY-AWEZNQCLSA-N 1 0 396.329 2.222 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2cc(C)ccc2Br)C1 ZINC000422514086 648554535 /nfs/dbraw/zinc/55/45/35/648554535.db2.gz GYFUASGMCPZRPC-HNNXBMFYSA-N 1 0 396.329 2.316 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000422517408 648555469 /nfs/dbraw/zinc/55/54/69/648555469.db2.gz LVZHOSMPFXCWTO-UHFFFAOYSA-N 1 0 396.329 2.316 20 0 GEADRO COc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1Br ZINC000422551012 648558225 /nfs/dbraw/zinc/55/82/25/648558225.db2.gz CRLONBIOXBXPCQ-SRVKXCTJSA-N 1 0 391.331 2.452 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422558674 648559597 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384.307 2.395 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000423112988 648581382 /nfs/dbraw/zinc/58/13/82/648581382.db2.gz XYFVDANOYBQYDM-BETUJISGSA-N 1 0 382.302 2.006 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000423112989 648581559 /nfs/dbraw/zinc/58/15/59/648581559.db2.gz XYFVDANOYBQYDM-CHWSQXEVSA-N 1 0 382.302 2.006 20 0 GEADRO COC[C@@]1(C(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]C1 ZINC000423139984 648584523 /nfs/dbraw/zinc/58/45/23/648584523.db2.gz LTYDHMPBEBRFQM-OAHLLOKOSA-N 1 0 393.228 2.293 20 0 GEADRO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1nn(C)cc1I ZINC000423164909 648585451 /nfs/dbraw/zinc/58/54/51/648585451.db2.gz TYZUWHWNZFEFHT-NEPJUHHUSA-N 1 0 376.286 2.425 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)N[C@H]2CCc3c2cccc3Br)nn1 ZINC000423158556 648585652 /nfs/dbraw/zinc/58/56/52/648585652.db2.gz OCVWEPKHPZHZFL-AWEZNQCLSA-N 1 0 378.274 2.197 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000423167362 648586156 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/nfs/dbraw/zinc/59/44/70/648594470.db2.gz AALNANIKPQORRZ-GFCCVEGCSA-N 1 0 388.693 2.011 20 0 GEADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423571714 648595959 /nfs/dbraw/zinc/59/59/59/648595959.db2.gz WLUXJYAUHRWJEV-RDBSUJKOSA-N 1 0 396.329 2.412 20 0 GEADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000423599848 648597104 /nfs/dbraw/zinc/59/71/04/648597104.db2.gz YMEHUKVXXDRRRE-GOEBONIOSA-N 1 0 381.929 2.243 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000423617344 648597744 /nfs/dbraw/zinc/59/77/44/648597744.db2.gz SYDGDJOZIWAYPT-CQSZACIVSA-N 1 0 396.329 2.208 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000423688734 648599354 /nfs/dbraw/zinc/59/93/54/648599354.db2.gz XLTHNAVDOBIMTC-PWSUYJOCSA-N 1 0 388.331 2.197 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000423686022 648599431 /nfs/dbraw/zinc/59/94/31/648599431.db2.gz SRCUAXMAIXQRMS-ZWNOBZJWSA-N 1 0 388.331 2.197 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000423695500 648599766 /nfs/dbraw/zinc/59/97/66/648599766.db2.gz LGWCDGVEKRBNFW-QAPCUYQASA-N 1 0 381.929 2.230 20 0 GEADRO CCCN(C(=O)C(=O)N(C)Cc1ccccc1Br)C1CC[NH2+]CC1 ZINC000423700432 648599780 /nfs/dbraw/zinc/59/97/80/648599780.db2.gz SLGSYGYYLWURCR-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO CN(C(=O)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1)C1CC[NH2+]CC1 ZINC000423691797 648599834 /nfs/dbraw/zinc/59/98/34/648599834.db2.gz QDXNZJWKLPOTKT-INIZCTEOSA-N 1 0 381.929 2.243 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423721010 648600976 /nfs/dbraw/zinc/60/09/76/648600976.db2.gz IFTDYSJDXFYFNW-UHFFFAOYSA-N 1 0 394.313 2.070 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000423743788 648601351 /nfs/dbraw/zinc/60/13/51/648601351.db2.gz MEHLIMIPRWACCO-LBPRGKRZSA-N 1 0 388.331 2.070 20 0 GEADRO Cc1c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)nnn1-c1cccc(Br)c1 ZINC000423949930 648604631 /nfs/dbraw/zinc/60/46/31/648604631.db2.gz HLIVUILZBJTCHE-ZDUSSCGKSA-N 1 0 380.290 2.441 20 0 GEADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)s2)CC1 ZINC000423958326 648605220 /nfs/dbraw/zinc/60/52/20/648605220.db2.gz QHLWCKWLOXCSMN-CQSZACIVSA-N 1 0 387.571 2.272 20 0 GEADRO [NH3+]C[C@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CCCC1 ZINC000423960723 648605693 /nfs/dbraw/zinc/60/56/93/648605693.db2.gz NOFNZEUEVOSGEB-HOTGVXAUSA-N 1 0 381.929 2.489 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000423962016 648605752 /nfs/dbraw/zinc/60/57/52/648605752.db2.gz ULKCTHZZMDVHLJ-FZMZJTMJSA-N 1 0 382.302 2.292 20 0 GEADRO [NH3+]C[C@@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CCCC1 ZINC000423962062 648605773 /nfs/dbraw/zinc/60/57/73/648605773.db2.gz OPVOOTNIDZBZIK-CYBMUJFWSA-N 1 0 382.258 2.027 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(I)c1 ZINC000424000513 648608623 /nfs/dbraw/zinc/60/86/23/648608623.db2.gz BSSUQHHSOPEBNC-GHMZBOCLSA-N 1 0 388.249 2.357 20 0 GEADRO C[C@H]1CCN(C(=O)COc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000424006316 648609145 /nfs/dbraw/zinc/60/91/45/648609145.db2.gz UKBMVCVEORYTQA-RYUDHWBXSA-N 1 0 388.249 2.113 20 0 GEADRO COc1cc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)ccc1Br ZINC000424092097 648612472 /nfs/dbraw/zinc/61/24/72/648612472.db2.gz PLYXQTYIIZDVLQ-LLVKDONJSA-N 1 0 380.246 2.226 20 0 GEADRO COc1cc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)ccc1Br ZINC000424092098 648612551 /nfs/dbraw/zinc/61/25/51/648612551.db2.gz PLYXQTYIIZDVLQ-NSHDSACASA-N 1 0 380.246 2.226 20 0 GEADRO COc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1Br ZINC000424112045 648613686 /nfs/dbraw/zinc/61/36/86/648613686.db2.gz IDBODEOUPKLRKV-LLVKDONJSA-N 1 0 380.246 2.226 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000424215939 648619965 /nfs/dbraw/zinc/61/99/65/648619965.db2.gz IOXUJXGABDQNBW-ZIAGYGMSSA-N 1 0 383.290 2.347 20 0 GEADRO Cc1ccc(F)c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1Br ZINC000424225383 648620342 /nfs/dbraw/zinc/62/03/42/648620342.db2.gz MJNSDVJCXLKYID-WCQYABFASA-N 1 0 381.249 2.197 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3cc(Cl)ccc3Br)C[C@H]2[NH3+])cn1 ZINC000424228460 648621142 /nfs/dbraw/zinc/62/11/42/648621142.db2.gz SUPMVGUREDNRDJ-GXTWGEPZSA-N 1 0 383.677 2.403 20 0 GEADRO C[C@H]1CC2(CN1C(=O)CNC(=O)c1cccc(Br)c1)CC[NH2+]CC2 ZINC000424229164 648621203 /nfs/dbraw/zinc/62/12/03/648621203.db2.gz YMMYPTQLDSIJOM-ZDUSSCGKSA-N 1 0 394.313 2.170 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424340239 648623412 /nfs/dbraw/zinc/62/34/12/648623412.db2.gz XLQZTTFHGFSPES-HZPDHXFCSA-N 1 0 384.318 2.146 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000424467732 648629631 /nfs/dbraw/zinc/62/96/31/648629631.db2.gz NCLIJLZPIACQRT-LBPRGKRZSA-N 1 0 393.656 2.448 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)N[C@@H]1CC[NH2+]C1 ZINC000424482694 648631296 /nfs/dbraw/zinc/63/12/96/648631296.db2.gz VDNSBUZIMFGXLZ-LLVKDONJSA-N 1 0 379.629 2.106 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000424733232 648642652 /nfs/dbraw/zinc/64/26/52/648642652.db2.gz GJDOZUBJJDKOGB-CYBMUJFWSA-N 1 0 396.285 2.096 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000424792880 648647668 /nfs/dbraw/zinc/64/76/68/648647668.db2.gz LUVLNXWEZJHXHG-CYBMUJFWSA-N 1 0 385.302 2.295 20 0 GEADRO O=C(Cc1noc2ccc(Br)cc21)N[C@H](CO)C[NH+]1CCCCC1 ZINC000424827007 648650643 /nfs/dbraw/zinc/65/06/43/648650643.db2.gz SHQNQAZDSSYJKM-ZDUSSCGKSA-N 1 0 396.285 2.096 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000424830774 648651154 /nfs/dbraw/zinc/65/11/54/648651154.db2.gz XCIMCTFJPSEDGJ-ZDUSSCGKSA-N 1 0 385.302 2.343 20 0 GEADRO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000424991521 648659710 /nfs/dbraw/zinc/65/97/10/648659710.db2.gz OGHJZLXJHVULTN-UHFFFAOYSA-N 1 0 386.290 2.041 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(I)ccc3O)[C@@H]2C1 ZINC000425056024 648662999 /nfs/dbraw/zinc/66/29/99/648662999.db2.gz JEZJATBQDGMXQM-GXFFZTMASA-N 1 0 386.233 2.163 20 0 GEADRO COc1cc2[nH+]ccc(NCCC(=O)N3CCOCC3)c2cc1Br ZINC000425209676 648671160 /nfs/dbraw/zinc/67/11/60/648671160.db2.gz PSPUEVZDZSWOKW-UHFFFAOYSA-N 1 0 394.269 2.089 20 0 GEADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000425212551 648672567 /nfs/dbraw/zinc/67/25/67/648672567.db2.gz FECDTUQBYFZZDS-IINYFYTJSA-N 1 0 377.279 2.303 20 0 GEADRO O=C(Nc1ccn(CCC(F)(F)F)n1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000425327885 648672968 /nfs/dbraw/zinc/67/29/68/648672968.db2.gz SGKYYFXDDWMLAY-CYBMUJFWSA-N 1 0 376.448 2.992 20 0 GEADRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CSC)C[C@H]1c1ccc(Br)cc1 ZINC000425507933 648682293 /nfs/dbraw/zinc/68/22/93/648682293.db2.gz GVMHQMXONHUZET-SOUVJXGZSA-N 1 0 388.327 2.361 20 0 GEADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C(=O)NC1CCC1 ZINC000425747354 648693566 /nfs/dbraw/zinc/69/35/66/648693566.db2.gz SXSYCYSBOGCBMR-UHFFFAOYSA-N 1 0 397.317 2.054 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425819028 648699008 /nfs/dbraw/zinc/69/90/08/648699008.db2.gz JXOPDPXNPNSNID-XHDPSFHLSA-N 1 0 398.276 2.388 20 0 GEADRO CC[N@H+](CCNC(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F)CCC(F)(F)F ZINC000425990027 648703155 /nfs/dbraw/zinc/70/31/55/648703155.db2.gz VRNLMLVDLALWJI-QWRGUYRKSA-N 1 0 379.345 2.358 20 0 GEADRO O=C(NCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1cccc(Br)c1 ZINC000426137761 648705052 /nfs/dbraw/zinc/70/50/52/648705052.db2.gz PNVHKHGAXRDNFI-INIZCTEOSA-N 1 0 394.313 2.312 20 0 GEADRO NC(=O)c1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428553707 648736429 /nfs/dbraw/zinc/73/64/29/648736429.db2.gz YNYGAKIIFOHQNV-HNNXBMFYSA-N 1 0 377.282 2.489 20 0 GEADRO COCCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cn1 ZINC000428550413 648736459 /nfs/dbraw/zinc/73/64/59/648736459.db2.gz RQAFFEJUYSOSGB-HNNXBMFYSA-N 1 0 382.302 2.233 20 0 GEADRO C[C@@H](CNC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000428573485 648738520 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C[N@H+](CCNC(=O)C(=O)NCCc1ccc(Br)cc1)C1CCCC1 ZINC000559652755 651300371 /nfs/dbraw/zinc/30/03/71/651300371.db2.gz YNFHDMCHAPDJAU-UHFFFAOYSA-N 1 0 396.329 2.098 20 0 GEADRO Cc1csc(S(=O)(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000560271693 651305851 /nfs/dbraw/zinc/30/58/51/651305851.db2.gz BATFKKFZLRYBKK-KRWDZBQOSA-N 1 0 379.551 2.324 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)COc1ccc(F)cc1Br ZINC000560446601 651309978 /nfs/dbraw/zinc/30/99/78/651309978.db2.gz XRDJBQMBJXILIX-ZDUSSCGKSA-N 1 0 391.281 2.176 20 0 GEADRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(=O)n5cc(Br)ccc5n4)[C@H]1[C@H]3C2 ZINC000560484909 651311233 /nfs/dbraw/zinc/31/12/33/651311233.db2.gz WZJNWNOOTRDYHW-RMRUMULMSA-N 1 0 390.281 2.312 20 0 GEADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000560484908 651311313 /nfs/dbraw/zinc/31/13/13/651311313.db2.gz WZJNWNOOTRDYHW-LGQNPDNSSA-N 1 0 390.281 2.312 20 0 GEADRO CO[C@@H](C)[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000560574353 651311804 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[NH3+]CCOCc1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000603236835 651472950 /nfs/dbraw/zinc/47/29/50/651472950.db2.gz UKWUTARCZTWBOM-UHFFFAOYSA-N 1 0 392.628 2.060 20 0 GEADRO COC(=O)c1ccc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c(Br)c1 ZINC000603240679 651473290 /nfs/dbraw/zinc/47/32/90/651473290.db2.gz BPOORVJEUUKPPA-GFCCVEGCSA-N 1 0 379.258 2.343 20 0 GEADRO O=C(Nc1ccc(Br)cc1-c1nc(C2CC2)no1)NC1C[NH2+]C1 ZINC000560992164 651473325 /nfs/dbraw/zinc/47/33/25/651473325.db2.gz IMIIFZHKYPDDSP-UHFFFAOYSA-N 1 0 378.230 2.470 20 0 GEADRO Cn1c(Cn2cc(CSCC[NH3+])nn2)nc2ccc(Br)cc21 ZINC000603249824 651474306 /nfs/dbraw/zinc/47/43/06/651474306.db2.gz KRTXDCPXNLMIAG-UHFFFAOYSA-N 1 0 381.303 2.168 20 0 GEADRO CC[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)Cc1cccc(Br)c1 ZINC000642725260 651474311 /nfs/dbraw/zinc/47/43/11/651474311.db2.gz HSQKQTGGRGFVFL-CYBMUJFWSA-N 1 0 396.329 2.002 20 0 GEADRO [NH3+]CCSCc1cn(C[C@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000603257330 651474568 /nfs/dbraw/zinc/47/45/68/651474568.db2.gz JUXWRRKVGUFQDC-NSHDSACASA-N 1 0 377.297 2.217 20 0 GEADRO [NH3+]CCSCc1cn(C[C@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000603260859 651474614 /nfs/dbraw/zinc/47/46/14/651474614.db2.gz SJPJBYWAHJFKBA-LBPRGKRZSA-N 1 0 377.297 2.217 20 0 GEADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)[C@H](C)C1 ZINC000561148836 651475331 /nfs/dbraw/zinc/47/53/31/651475331.db2.gz RHBCPVCSUFXCPW-BXUZGUMPSA-N 1 0 380.286 2.428 20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)NC[C@H](C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000642910601 651475341 /nfs/dbraw/zinc/47/53/41/651475341.db2.gz JOTCCRYUGYZLGA-WDEREUQCSA-N 1 0 376.284 2.073 20 0 GEADRO C[N@@H+]1CCCN(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1 ZINC000561165945 651475815 /nfs/dbraw/zinc/47/58/15/651475815.db2.gz DXGZWHACCXWWEQ-UHFFFAOYSA-N 1 0 381.889 2.940 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(I)c(O)c1 ZINC000720843707 651476350 /nfs/dbraw/zinc/47/63/50/651476350.db2.gz JOPKYRACMKNPCY-QWHCGFSZSA-N 1 0 386.233 2.306 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[NH+]1CCCC1 ZINC000642977985 651476330 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CN(C)C(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000562358270 651492757 /nfs/dbraw/zinc/49/27/57/651492757.db2.gz PNCXHLJDTMEPLD-UHFFFAOYSA-N 1 0 397.317 2.363 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000563075406 651507956 /nfs/dbraw/zinc/50/79/56/651507956.db2.gz GDEGAYSIVDLIJI-QAPCUYQASA-N 1 0 394.313 2.236 20 0 GEADRO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000604090913 651508653 /nfs/dbraw/zinc/50/86/53/651508653.db2.gz RSIUACJKRBKDSE-OLZOCXBDSA-N 1 0 388.295 2.223 20 0 GEADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000604124530 651509247 /nfs/dbraw/zinc/50/92/47/651509247.db2.gz IRPQOZJNGIHJQB-NSHDSACASA-N 1 0 386.290 2.135 20 0 GEADRO O=C(Nc1cnc2c(Br)cccn12)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000563097377 651509458 /nfs/dbraw/zinc/50/94/58/651509458.db2.gz PBUWLMJTUYNTHK-GFCCVEGCSA-N 1 0 389.257 2.470 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H](c1cccs1)N1CCOCC1 ZINC000727068328 651510440 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CC(C)NC(=O)CNC(=S)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000727274849 651517562 /nfs/dbraw/zinc/51/75/62/651517562.db2.gz GLRJEGGKRROCLE-INIZCTEOSA-N 1 0 382.961 2.466 20 0 GEADRO C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CC[C@H]([NH+]3CCCC3)C2)C1=O ZINC000727424857 651519661 /nfs/dbraw/zinc/51/96/61/651519661.db2.gz PUEWONVYSCHALD-YVEFUNNKSA-N 1 0 382.917 2.296 20 0 GEADRO C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CC[C@@H]([NH+]3CCCC3)C2)C1=O ZINC000727424856 651519818 /nfs/dbraw/zinc/51/98/18/651519818.db2.gz PUEWONVYSCHALD-SJKOYZFVSA-N 1 0 382.917 2.296 20 0 GEADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(C)cc1Cl ZINC000563257214 651520933 /nfs/dbraw/zinc/52/09/33/651520933.db2.gz HUAIBQLBXMGNRA-UHFFFAOYSA-N 1 0 375.903 2.187 20 0 GEADRO O=C(C[C@H]1COCC[NH2+]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000644154150 651523521 /nfs/dbraw/zinc/52/35/21/651523521.db2.gz AAYBGKOTTDJIOQ-AWEZNQCLSA-N 1 0 383.286 2.197 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000644168738 651524298 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C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000644302145 651534262 /nfs/dbraw/zinc/53/42/62/651534262.db2.gz RLFPMJYQQCQIPX-JSGCOSHPSA-N 1 0 396.310 2.322 20 0 GEADRO O=c1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000563672171 651536456 /nfs/dbraw/zinc/53/64/56/651536456.db2.gz FFSIQCIESBSFJM-QGZVFWFLSA-N 1 0 377.286 2.033 20 0 GEADRO Cc1cc(NC(=O)CN2CC[NH+](C(C)(C)CO)CC2)ccc1Br ZINC000605421156 651536508 /nfs/dbraw/zinc/53/65/08/651536508.db2.gz XXDXMWDCDJTFOC-UHFFFAOYSA-N 1 0 384.318 2.085 20 0 GEADRO CC(C)OCC[C@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000563708990 651539028 /nfs/dbraw/zinc/53/90/28/651539028.db2.gz SMZZKCTVLPSQIW-JKSUJKDBSA-N 1 0 385.302 2.320 20 0 GEADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000728688411 651551346 /nfs/dbraw/zinc/55/13/46/651551346.db2.gz OREKCBDDHGHFKV-GJZGRUSLSA-N 1 0 377.551 2.036 20 0 GEADRO O[C@H](C[NH2+][C@H]1CCN(CC2CC2)C1)COc1cc(F)cc(Br)c1 ZINC000644556664 651554377 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COCCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000644625642 651559001 /nfs/dbraw/zinc/55/90/01/651559001.db2.gz CUFHWISFJPPXTF-FRFSOERESA-N 1 0 394.295 2.143 20 0 GEADRO O=S1(=O)CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644647306 651561057 /nfs/dbraw/zinc/56/10/57/651561057.db2.gz NUHDXVUGXJPUEO-RYUDHWBXSA-N 1 0 382.309 2.148 20 0 GEADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)c1 ZINC000644660543 651562382 /nfs/dbraw/zinc/56/23/82/651562382.db2.gz RKGMZKXWHHGSNV-INIZCTEOSA-N 1 0 383.897 2.411 20 0 GEADRO COCC[N@H+](C)CCNC(=O)c1c(O)cnc2c(Br)cccc21 ZINC000564457662 651568096 /nfs/dbraw/zinc/56/80/96/651568096.db2.gz WLHPQNBYPLWLHJ-UHFFFAOYSA-N 1 0 382.258 2.011 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)[C@@H]2C1 ZINC000644813036 651569964 /nfs/dbraw/zinc/56/99/64/651569964.db2.gz FWKXFJDMAOKXGZ-ZUZCIYMTSA-N 1 0 376.254 2.479 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000607215751 651570495 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CN(CCN1CC[NH2+]CC1)C(=O)c1cc(Cl)cc(F)c1Br ZINC000647778905 651758958 /nfs/dbraw/zinc/75/89/58/651758958.db2.gz DQIIVJCRZVTCJI-UHFFFAOYSA-N 1 0 378.673 2.219 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000570306331 651759819 /nfs/dbraw/zinc/75/98/19/651759819.db2.gz OIGQUFKZWSVJHM-HNNXBMFYSA-N 1 0 381.318 2.327 20 0 GEADRO COc1ccc(Br)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000647821425 651761403 /nfs/dbraw/zinc/76/14/03/651761403.db2.gz HIFGIRDNFMOKOV-HZPDHXFCSA-N 1 0 383.286 2.393 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000570344450 651762079 /nfs/dbraw/zinc/76/20/79/651762079.db2.gz SIPUYXDXBKOMFC-AWEZNQCLSA-N 1 0 397.317 2.228 20 0 GEADRO CSC1(CNS(=O)(=O)c2ccc(Br)o2)CC[NH+](C)CC1 ZINC000570369323 651763717 /nfs/dbraw/zinc/76/37/17/651763717.db2.gz NXJNKFGZFSXQNQ-UHFFFAOYSA-N 1 0 383.333 2.148 20 0 GEADRO CC[NH2+]CCCNS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000570396463 651764666 /nfs/dbraw/zinc/76/46/66/651764666.db2.gz 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Cc1ccc(C[C@H](CO)C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1Br ZINC000648041189 651770962 /nfs/dbraw/zinc/77/09/62/651770962.db2.gz KMBLMAWYNZPRRG-JKSUJKDBSA-N 1 0 393.329 2.437 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000570502368 651771153 /nfs/dbraw/zinc/77/11/53/651771153.db2.gz WESUUDCSAALFPP-CABCVRRESA-N 1 0 386.901 2.422 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000570502371 651771157 /nfs/dbraw/zinc/77/11/57/651771157.db2.gz WESUUDCSAALFPP-LSDHHAIUSA-N 1 0 386.901 2.422 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612874354 651774550 /nfs/dbraw/zinc/77/45/50/651774550.db2.gz DJZXVYWSXBFLTK-MRXNPFEDSA-N 1 0 383.290 2.137 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)C3([NH3+])CCCC3)C2=O)ccc1Br ZINC000648163947 651775200 /nfs/dbraw/zinc/77/52/00/651775200.db2.gz LFGWVMDYDHBSPE-AWEZNQCLSA-N 1 0 380.286 2.251 20 0 GEADRO C[C@]1(NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]C1 ZINC000612902477 651775651 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Cc1nn(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C(F)F ZINC000570784102 651790697 /nfs/dbraw/zinc/79/06/97/651790697.db2.gz OSKZDGPWOXCYBE-ZDUSSCGKSA-N 1 0 378.489 2.312 20 0 GEADRO CN(C(=O)Nc1ccc(-c2ccc(Br)s2)nn1)[C@H]1CC[NH2+]C1 ZINC000570783117 651790803 /nfs/dbraw/zinc/79/08/03/651790803.db2.gz BLMIGVYXMJTAHP-VIFPVBQESA-N 1 0 382.287 2.793 20 0 GEADRO C[C@]1(n2cc(C[NH2+]C[C@@H]3CSc4ccccc43)cn2)CCS(=O)(=O)C1 ZINC000648611338 651791607 /nfs/dbraw/zinc/79/16/07/651791607.db2.gz IFIBSMSTEFVPQU-QAPCUYQASA-N 1 0 377.535 2.396 20 0 GEADRO COCCN(Cc1ccc(Br)s1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000570859125 651795970 /nfs/dbraw/zinc/79/59/70/651795970.db2.gz XVLMWBZWMSTUKW-ZDUSSCGKSA-N 1 0 377.348 2.414 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000648718733 651796426 /nfs/dbraw/zinc/79/64/26/651796426.db2.gz AXNNOYAVMGDNQF-KRWDZBQOSA-N 1 0 380.330 2.185 20 0 GEADRO Cc1cc(NC(=O)CC[NH2+]CC(=O)Nc2ccc(Br)cc2C)no1 ZINC000570875827 651797181 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2.151 20 0 GEADRO C[C@H](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)n1cc(Br)cn1 ZINC000648789693 651803648 /nfs/dbraw/zinc/80/36/48/651803648.db2.gz IJMJBUSWSPXFOC-KGLIPLIRSA-N 1 0 399.333 2.214 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2=O)ccc1Br ZINC000648862373 651806921 /nfs/dbraw/zinc/80/69/21/651806921.db2.gz JTGJMAPSRAUOEG-XPKDYRNWSA-N 1 0 394.313 2.319 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2cccc(I)c2)C1 ZINC000571046017 651808123 /nfs/dbraw/zinc/80/81/23/651808123.db2.gz SURIMTBKXUGHIB-CMPLNLGQSA-N 1 0 394.278 2.087 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1Br ZINC000571056465 651808515 /nfs/dbraw/zinc/80/85/15/651808515.db2.gz VFIBZOOABNNCDS-NHCYSSNCSA-N 1 0 384.249 2.031 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000571061309 651809080 /nfs/dbraw/zinc/80/90/80/651809080.db2.gz SWIFMDQCLZYPNN-UHFFFAOYSA-N 1 0 396.329 2.363 20 0 GEADRO C[C@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[NH+]1CCCC1 ZINC000736074541 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CC(C)C[C@](C)(C[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000571285951 651823166 /nfs/dbraw/zinc/82/31/66/651823166.db2.gz PHLZYCSDGJZORC-OAHLLOKOSA-N 1 0 396.340 2.151 20 0 GEADRO Cc1nc(-c2cccs2)c(CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000649361669 651823947 /nfs/dbraw/zinc/82/39/47/651823947.db2.gz GOUVPURMHHWKCS-AWEZNQCLSA-N 1 0 376.551 2.229 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000571297569 651824292 /nfs/dbraw/zinc/82/42/92/651824292.db2.gz AEWKZZVQRTXKRV-QMMMGPOBSA-N 1 0 392.681 2.021 20 0 GEADRO CN(CCN1CC[NH2+]CC1)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000649409637 651825604 /nfs/dbraw/zinc/82/56/04/651825604.db2.gz GTILTEKWRLIJNL-UHFFFAOYSA-N 1 0 379.302 2.441 20 0 GEADRO C[NH+](C)C1(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CC1 ZINC000614404759 651825620 /nfs/dbraw/zinc/82/56/20/651825620.db2.gz KAGGXHSYCSXGKC-UHFFFAOYSA-N 1 0 384.293 2.327 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000571341104 651827067 /nfs/dbraw/zinc/82/70/67/651827067.db2.gz IWGVNSZHCKPMRN-HNNXBMFYSA-N 1 0 384.318 2.404 20 0 GEADRO C[N@@H+]1CCN(CCNC(=O)Cc2ccc(Br)cc2F)CC1(C)C ZINC000614451069 651828296 /nfs/dbraw/zinc/82/82/96/651828296.db2.gz PTOGYDZJKSULIX-UHFFFAOYSA-N 1 0 386.309 2.273 20 0 GEADRO CCOC(=O)CCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000571397105 651830375 /nfs/dbraw/zinc/83/03/75/651830375.db2.gz XVXOIYWDMZYMPD-UHFFFAOYSA-N 1 0 378.288 2.156 20 0 GEADRO CC1(C)CN(C(=O)CCc2cccc(F)c2Br)CC[N@@H+]1CCO ZINC000649582229 651831184 /nfs/dbraw/zinc/83/11/84/651831184.db2.gz KHWCPUSEJLWSDU-UHFFFAOYSA-N 1 0 387.293 2.436 20 0 GEADRO CN(CC[NH+]1CCCCC1)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000649888294 651836719 /nfs/dbraw/zinc/83/67/19/651836719.db2.gz MELRLFFDZGPXAJ-UHFFFAOYSA-N 1 0 387.933 2.100 20 0 GEADRO Cc1c(Br)ccnc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000571538314 651839029 /nfs/dbraw/zinc/83/90/29/651839029.db2.gz QUVJUFTURCSUMO-LBPRGKRZSA-N 1 0 384.322 2.158 20 0 GEADRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000614849769 651841301 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CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)s1 ZINC000657093659 652112375 /nfs/dbraw/zinc/11/23/75/652112375.db2.gz YGVRJJMCYXBJQL-CQSZACIVSA-N 1 0 389.587 2.071 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000576400382 652114581 /nfs/dbraw/zinc/11/45/81/652114581.db2.gz HZPOHXCTTHOBTL-XIZWVBILSA-N 1 0 378.270 2.407 20 0 GEADRO O=S(=O)(NCC1CC[NH+](Cc2ccncc2)CC1)c1cncc(Cl)c1 ZINC000657107760 652115327 /nfs/dbraw/zinc/11/53/27/652115327.db2.gz GMHZUYSPVWMYNG-UHFFFAOYSA-N 1 0 380.901 2.321 20 0 GEADRO C[C@H](CNC(=O)c1sc(N2CCCC2)nc1Cl)C[NH+]1CCN(C)CC1 ZINC000746602438 652115946 /nfs/dbraw/zinc/11/59/46/652115946.db2.gz CQJPGPXBOIDEEQ-CYBMUJFWSA-N 1 0 385.965 2.010 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000576483031 652121631 /nfs/dbraw/zinc/12/16/31/652121631.db2.gz DJNLNLKHCMQANI-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000576628113 652132605 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CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000576728068 652140750 /nfs/dbraw/zinc/14/07/50/652140750.db2.gz VFAYSKLUZGHLLZ-UHFFFAOYSA-N 1 0 382.180 2.260 20 0 GEADRO CNS(=O)(=O)CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000621291481 652142751 /nfs/dbraw/zinc/14/27/51/652142751.db2.gz TZDXAMSDAONHSM-HNNXBMFYSA-N 1 0 380.432 2.312 20 0 GEADRO CC1(C)CN(CC[NH2+]CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000576864056 652149075 /nfs/dbraw/zinc/14/90/75/652149075.db2.gz PQRVJMHUGJKMGA-UHFFFAOYSA-N 1 0 384.318 2.478 20 0 GEADRO COC(=O)[C@@H](NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1)C(C)C ZINC000576862202 652149201 /nfs/dbraw/zinc/14/92/01/652149201.db2.gz GTAGLLVGSOPYPU-HOTGVXAUSA-N 1 0 398.301 2.199 20 0 GEADRO CCOc1cncc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000621343208 652150583 /nfs/dbraw/zinc/15/05/83/652150583.db2.gz YQBOYDLMCZIYOS-UHFFFAOYSA-N 1 0 375.903 2.263 20 0 GEADRO COC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000576904114 652152489 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CN(C)c1cccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)n1 ZINC000577172217 652167681 /nfs/dbraw/zinc/16/76/81/652167681.db2.gz MFSKALSOADLIKX-HNNXBMFYSA-N 1 0 380.286 2.440 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CCCO1 ZINC000621851122 652168649 /nfs/dbraw/zinc/16/86/49/652168649.db2.gz MAYJYGZYYRIDMH-CYBMUJFWSA-N 1 0 392.244 2.300 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c(Cl)cc1Br ZINC000657530219 652170600 /nfs/dbraw/zinc/17/06/00/652170600.db2.gz AGQZJYDNWDLTOF-MRVPVSSYSA-N 1 0 392.681 2.116 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)s2)C[C@@H](C)O1 ZINC000577216149 652170605 /nfs/dbraw/zinc/17/06/05/652170605.db2.gz GITVCIDFODSPNH-DHGKCCLASA-N 1 0 389.359 2.426 20 0 GEADRO COc1cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc(Br)c1O ZINC000657546561 652171798 /nfs/dbraw/zinc/17/17/98/652171798.db2.gz WCBNPGAVAKCSBL-UHFFFAOYSA-N 1 0 392.315 2.468 20 0 GEADRO COc1ccc(OC)c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000657562862 652173548 /nfs/dbraw/zinc/17/35/48/652173548.db2.gz JNZUXRAVEQEYQI-UHFFFAOYSA-N 1 0 394.269 2.381 20 0 GEADRO COc1cc(C)nc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000657564857 652174064 /nfs/dbraw/zinc/17/40/64/652174064.db2.gz XGWMMJSNURTOEF-UHFFFAOYSA-N 1 0 379.258 2.076 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622014541 652174895 /nfs/dbraw/zinc/17/48/95/652174895.db2.gz HEKZSKKWOQLLIU-XPTSAGLGSA-N 1 0 393.278 2.099 20 0 GEADRO CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622013751 652174936 /nfs/dbraw/zinc/17/49/36/652174936.db2.gz UZNWYLVVGOXQFP-XHDPSFHLSA-N 1 0 389.315 2.350 20 0 GEADRO OCCO[C@]1(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CCOC1 ZINC000657598008 652178174 /nfs/dbraw/zinc/17/81/74/652178174.db2.gz GXADUJAWWAWFHC-HNNXBMFYSA-N 1 0 396.228 2.308 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC[C@@H](C)S(=O)(=O)C3)cnc12 ZINC000657640013 652183804 /nfs/dbraw/zinc/18/38/04/652183804.db2.gz UREMNIOQTQRMCT-DGCLKSJQSA-N 1 0 386.315 2.461 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000747978811 652187192 /nfs/dbraw/zinc/18/71/92/652187192.db2.gz HTAUYYWMXMOAFU-UHFFFAOYSA-N 1 0 379.555 2.486 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000577435424 652187200 /nfs/dbraw/zinc/18/72/00/652187200.db2.gz OPXFTFULWVXVFQ-CABCVRRESA-N 1 0 375.579 2.062 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000657679410 652190224 /nfs/dbraw/zinc/19/02/24/652190224.db2.gz ADAHTNJBSMMIQQ-LBPRGKRZSA-N 1 0 396.260 2.308 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657689157 652191866 /nfs/dbraw/zinc/19/18/66/652191866.db2.gz MVTRANPQSHMBRQ-LLVKDONJSA-N 1 0 386.265 2.469 20 0 GEADRO CC[C@@]1(C(=O)NCCOc2ccc(I)cc2)CCC[NH2+]1 ZINC000577515677 652194860 /nfs/dbraw/zinc/19/48/60/652194860.db2.gz ZDMIGYZQHAYZRN-HNNXBMFYSA-N 1 0 388.249 2.318 20 0 GEADRO COCC[N@H+](C)C[C@@H](O)CSc1nnc(Nc2cccc(C)c2C)s1 ZINC000577527801 652195416 /nfs/dbraw/zinc/19/54/16/652195416.db2.gz CITRAGGNDUBHMP-CQSZACIVSA-N 1 0 382.555 2.930 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000657719455 652196443 /nfs/dbraw/zinc/19/64/43/652196443.db2.gz YYUKKNVJZLOSQM-GXTWGEPZSA-N 1 0 399.329 2.461 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000657730240 652198347 /nfs/dbraw/zinc/19/83/47/652198347.db2.gz ZMPPVKKEMMWIHL-LKFCYVNXSA-N 1 0 398.276 2.434 20 0 GEADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3F)CC[C@@H]21 ZINC000657737155 652199799 /nfs/dbraw/zinc/19/97/99/652199799.db2.gz IMPIINGGXVBQLA-FZMZJTMJSA-N 1 0 398.276 2.469 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br ZINC000577601115 652200414 /nfs/dbraw/zinc/20/04/14/652200414.db2.gz QXDKWOBIDXEOEK-UHFFFAOYSA-N 1 0 380.286 2.359 20 0 GEADRO CC[NH+](CC)CCN(C(=O)[C@H](COC)OC)c1ccc(Br)cn1 ZINC000622859977 652203800 /nfs/dbraw/zinc/20/38/00/652203800.db2.gz IWWMTCHROMOOOG-AWEZNQCLSA-N 1 0 388.306 2.180 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000577709848 652209036 /nfs/dbraw/zinc/20/90/36/652209036.db2.gz LVKDQVWOXUPNCI-ZYHUDNBSSA-N 1 0 379.262 2.149 20 0 GEADRO CN1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)[C@H](C[NH3+])C1 ZINC000577724857 652211176 /nfs/dbraw/zinc/21/11/76/652211176.db2.gz FZQDJLRSASMANH-MRXNPFEDSA-N 1 0 395.345 2.155 20 0 GEADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000577742200 652212439 /nfs/dbraw/zinc/21/24/39/652212439.db2.gz DGUKRGCSKNXRCU-GDBMZVCRSA-N 1 0 385.302 2.322 20 0 GEADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623018272 652215027 /nfs/dbraw/zinc/21/50/27/652215027.db2.gz BALZHMNXHPCQFN-ZDUSSCGKSA-N 1 0 393.289 2.029 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C(F)F)nc1 ZINC000657916095 652216734 /nfs/dbraw/zinc/21/67/34/652216734.db2.gz SQFCFAITFWAMTL-JSGCOSHPSA-N 1 0 377.457 2.158 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cncc(Br)c1 ZINC000657926651 652217444 /nfs/dbraw/zinc/21/74/44/652217444.db2.gz NLUZLLHKONCMOI-NSHDSACASA-N 1 0 388.331 2.451 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623031524 652218547 /nfs/dbraw/zinc/21/85/47/652218547.db2.gz KYPJDDPNHUJOSI-LBPRGKRZSA-N 1 0 393.289 2.027 20 0 GEADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cncc(Br)c1 ZINC000657950983 652220351 /nfs/dbraw/zinc/22/03/51/652220351.db2.gz PWAKRSVNGGTNNP-IETSOEAISA-N 1 0 381.274 2.215 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cccc(Br)c3F)C2)C1 ZINC000657969886 652223534 /nfs/dbraw/zinc/22/35/34/652223534.db2.gz GLWVUJPMXIKJKX-KRWDZBQOSA-N 1 0 398.276 2.471 20 0 GEADRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000658026133 652231925 /nfs/dbraw/zinc/23/19/25/652231925.db2.gz AOUQWUPOWDWRPC-QMTHXVAHSA-N 1 0 385.835 2.429 20 0 GEADRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623404609 652235053 /nfs/dbraw/zinc/23/50/53/652235053.db2.gz CUYRSUSSPARDAM-UHFFFAOYSA-N 1 0 383.258 2.243 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cc2n(n1)CCCC2 ZINC000658095897 652236406 /nfs/dbraw/zinc/23/64/06/652236406.db2.gz NBHJUTKZTTXFFS-LBPRGKRZSA-N 1 0 392.301 2.458 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2)cn1 ZINC000658117237 652236908 /nfs/dbraw/zinc/23/69/08/652236908.db2.gz ZFAFXHBKFIVXDH-UHFFFAOYSA-N 1 0 384.267 2.006 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ncc1Br ZINC000658120419 652237423 /nfs/dbraw/zinc/23/74/23/652237423.db2.gz HENGDLDXJLNRBO-LBPRGKRZSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000658120815 652238465 /nfs/dbraw/zinc/23/84/65/652238465.db2.gz JNLUOROJWPWZRU-LBPRGKRZSA-N 1 0 397.317 2.328 20 0 GEADRO OCCO[C@]1(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CCOC1 ZINC000658149580 652239598 /nfs/dbraw/zinc/23/95/98/652239598.db2.gz UCDDFHIAANVNKX-RDJZCZTQSA-N 1 0 386.286 2.420 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000623553549 652246576 /nfs/dbraw/zinc/24/65/76/652246576.db2.gz ABRKXGSMPBLHDN-AWEZNQCLSA-N 1 0 397.317 2.480 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000623565343 652246813 /nfs/dbraw/zinc/24/68/13/652246813.db2.gz KFASBUDDDRNJDB-KGLIPLIRSA-N 1 0 383.290 2.279 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000623565342 652247111 /nfs/dbraw/zinc/24/71/11/652247111.db2.gz KFASBUDDDRNJDB-KBPBESRZSA-N 1 0 383.290 2.279 20 0 GEADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658262722 652247986 /nfs/dbraw/zinc/24/79/86/652247986.db2.gz FGRVJGKKUMQRIE-GFCCVEGCSA-N 1 0 398.301 2.385 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000658263546 652248231 /nfs/dbraw/zinc/24/82/31/652248231.db2.gz ZTHWMVIVMXABMB-LLVKDONJSA-N 1 0 398.301 2.385 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749381816 652250053 /nfs/dbraw/zinc/25/00/53/652250053.db2.gz ZQCNHMMVMFPOCU-UHFFFAOYSA-N 1 0 395.305 2.085 20 0 GEADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)[C@H]1OC ZINC000578187505 652251166 /nfs/dbraw/zinc/25/11/66/652251166.db2.gz GCYOJGDCTKYDPX-ARLBYUKCSA-N 1 0 392.265 2.110 20 0 GEADRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000578224043 652254210 /nfs/dbraw/zinc/25/42/10/652254210.db2.gz NWVCNIMCFFMKEZ-NHYWBVRUSA-N 1 0 377.286 2.245 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000749448460 652254846 /nfs/dbraw/zinc/25/48/46/652254846.db2.gz UPBYMZHZCGTNQF-QWHCGFSZSA-N 1 0 393.289 2.027 20 0 GEADRO C[C@@H](CNC(=O)NCc1csc(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000623712477 652255327 /nfs/dbraw/zinc/25/53/27/652255327.db2.gz FXGLOITXMONZQP-LBPRGKRZSA-N 1 0 378.464 2.450 20 0 GEADRO CCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000658360565 652255482 /nfs/dbraw/zinc/25/54/82/652255482.db2.gz KRDYNJIALMQLRK-CYBMUJFWSA-N 1 0 398.301 2.257 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)cc1Br ZINC000658362054 652256145 /nfs/dbraw/zinc/25/61/45/652256145.db2.gz RQBZLWWWKDDFDE-CYBMUJFWSA-N 1 0 398.301 2.339 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[C@H]1CC[N@H+](C)C1 ZINC000658361825 652256660 /nfs/dbraw/zinc/25/66/60/652256660.db2.gz NVEHYIUSTSUCIB-JTQLQIEISA-N 1 0 390.228 2.218 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000658365405 652257263 /nfs/dbraw/zinc/25/72/63/652257263.db2.gz PXRRSNFJUHKGAU-UHFFFAOYSA-N 1 0 381.267 2.145 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000658365310 652257359 /nfs/dbraw/zinc/25/73/59/652257359.db2.gz NPQOOTCABNRFEG-GFCCVEGCSA-N 1 0 377.304 2.268 20 0 GEADRO C[C@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@@H]1C[NH3+] ZINC000658368733 652258171 /nfs/dbraw/zinc/25/81/71/652258171.db2.gz MXCXAATVSGLPSL-IINYFYTJSA-N 1 0 379.295 2.477 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000658370717 652258750 /nfs/dbraw/zinc/25/87/50/652258750.db2.gz UKFJMQXGWJXVPH-GFCCVEGCSA-N 1 0 377.304 2.254 20 0 GEADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000623759494 652259203 /nfs/dbraw/zinc/25/92/03/652259203.db2.gz NWRZVPFBXYRYJQ-OAHLLOKOSA-N 1 0 379.302 2.099 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000658374318 652259495 /nfs/dbraw/zinc/25/94/95/652259495.db2.gz UVXJQKJOXWYURE-UHFFFAOYSA-N 1 0 377.304 2.398 20 0 GEADRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1ncccc1Br ZINC000658378420 652260197 /nfs/dbraw/zinc/26/01/97/652260197.db2.gz WSOPQZBBPRSYPB-UHFFFAOYSA-N 1 0 384.299 2.384 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000578302602 652260625 /nfs/dbraw/zinc/26/06/25/652260625.db2.gz FIOUYMDOCCCQLQ-OAHLLOKOSA-N 1 0 387.933 2.369 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000578311857 652261383 /nfs/dbraw/zinc/26/13/83/652261383.db2.gz NRFHKLOUSQVJIT-UHFFFAOYSA-N 1 0 385.917 2.377 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000658381502 652261998 /nfs/dbraw/zinc/26/19/98/652261998.db2.gz RRHZAMZLVFZGEK-ZDUSSCGKSA-N 1 0 379.295 2.396 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCn2cc(Br)ccc2=O)C[C@@H]1C ZINC000578320613 652262205 /nfs/dbraw/zinc/26/22/05/652262205.db2.gz KCNZJPPNQGKVKG-ZFWWWQNUSA-N 1 0 399.333 2.125 20 0 GEADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)CCc3ccccc3Cl)CC2)C1 ZINC000658382457 652262114 /nfs/dbraw/zinc/26/21/14/652262114.db2.gz JVJSSEITHMWGBT-WMZOPIPTSA-N 1 0 386.945 2.431 20 0 GEADRO CCO[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C[C@H]1C[NH3+] ZINC000658383753 652262679 /nfs/dbraw/zinc/26/26/79/652262679.db2.gz NIQXPTYEQWRJDJ-NOZJJQNGSA-N 1 0 397.722 2.087 20 0 GEADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1Cl ZINC000658383363 652262702 /nfs/dbraw/zinc/26/27/02/652262702.db2.gz GRIQSMYUQIHRPS-MJEQTWJJSA-N 1 0 388.917 2.398 20 0 GEADRO O=C1[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCN1C1CCC1 ZINC000623840109 652263967 /nfs/dbraw/zinc/26/39/67/652263967.db2.gz OBEJTPMHDMVDGF-CQSZACIVSA-N 1 0 381.270 2.463 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000658399335 652265048 /nfs/dbraw/zinc/26/50/48/652265048.db2.gz UIDMPHIZVYYMPT-ZJUUUORDSA-N 1 0 395.294 2.345 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000658401992 652265908 /nfs/dbraw/zinc/26/59/08/652265908.db2.gz JVZNQOVEANDBCJ-LLVKDONJSA-N 1 0 389.315 2.411 20 0 GEADRO CN(CC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000578365862 652266161 /nfs/dbraw/zinc/26/61/61/652266161.db2.gz FQZQMFKUXPMALD-AWEZNQCLSA-N 1 0 390.958 2.057 20 0 GEADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cc21 ZINC000658408614 652267522 /nfs/dbraw/zinc/26/75/22/652267522.db2.gz LTUZSAQDSYSLMI-CHWSQXEVSA-N 1 0 390.278 2.001 20 0 GEADRO CCOc1ccc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)cc1Br ZINC000658425840 652269788 /nfs/dbraw/zinc/26/97/88/652269788.db2.gz HKKQOHUDZOTAFR-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000624094436 652270057 /nfs/dbraw/zinc/27/00/57/652270057.db2.gz FLLSJHKZSMIMPC-UKRRQHHQSA-N 1 0 375.485 2.317 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000658437714 652272510 /nfs/dbraw/zinc/27/25/10/652272510.db2.gz VELXTRZPMMZDDR-UHFFFAOYSA-N 1 0 377.535 2.358 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000578442364 652273067 /nfs/dbraw/zinc/27/30/67/652273067.db2.gz MYDBJJLEYQCCJV-HNNXBMFYSA-N 1 0 382.302 2.155 20 0 GEADRO O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)NCC(=O)Nc1ccccc1Br ZINC000578440551 652273231 /nfs/dbraw/zinc/27/32/31/652273231.db2.gz WNIPWBPKTRRIEZ-MBNYWOFBSA-N 1 0 380.286 2.282 20 0 GEADRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1I ZINC000578441777 652273337 /nfs/dbraw/zinc/27/33/37/652273337.db2.gz AAKWXWHBBAPFDY-LLVKDONJSA-N 1 0 380.176 2.327 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000624205233 652276082 /nfs/dbraw/zinc/27/60/82/652276082.db2.gz VYTSXWFOQXRIJR-LLVKDONJSA-N 1 0 392.253 2.234 20 0 GEADRO COc1ccc(C[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)c(Cl)c1 ZINC000578550121 652277322 /nfs/dbraw/zinc/27/73/22/652277322.db2.gz PVKFPXMPELKPBI-CQSZACIVSA-N 1 0 375.922 2.099 20 0 GEADRO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000624283255 652279995 /nfs/dbraw/zinc/27/99/95/652279995.db2.gz JGVHIZGOWBJZMM-CQSZACIVSA-N 1 0 375.947 2.347 20 0 GEADRO Cc1c([C@@H](C)NCC[N@@H+]2CC[C@H](O)C2)nnn1-c1cccc(Br)c1 ZINC000624332976 652282651 /nfs/dbraw/zinc/28/26/51/652282651.db2.gz FBCLXNRDMGSJNT-WBMJQRKESA-N 1 0 394.317 2.055 20 0 GEADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000624371995 652284399 /nfs/dbraw/zinc/28/43/99/652284399.db2.gz BUHLSQCNTDMWKE-UHFFFAOYSA-N 1 0 377.279 2.413 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000578650735 652285573 /nfs/dbraw/zinc/28/55/73/652285573.db2.gz GOLXUWAHZFBQAI-LBPRGKRZSA-N 1 0 397.850 2.027 20 0 GEADRO CCC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000624390773 652287010 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GGOXZDDUGIEAMA-QLFBSQMISA-N 1 0 386.480 2.371 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2CC)cc1Br ZINC000624393750 652289662 /nfs/dbraw/zinc/28/96/62/652289662.db2.gz JFQCBNQOESXGRI-QWHCGFSZSA-N 1 0 377.304 2.267 20 0 GEADRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc2ccccc2c1Br ZINC000624409217 652291954 /nfs/dbraw/zinc/29/19/54/652291954.db2.gz XBMQBFPQXANHMY-UHFFFAOYSA-N 1 0 387.299 2.198 20 0 GEADRO O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000624415315 652292909 /nfs/dbraw/zinc/29/29/09/652292909.db2.gz AUDMAORXDDPALI-CYBMUJFWSA-N 1 0 376.881 2.258 20 0 GEADRO O[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)COc1ccccc1Br ZINC000578770573 652292991 /nfs/dbraw/zinc/29/29/91/652292991.db2.gz WLIKQJGPWOIPHK-HOTGVXAUSA-N 1 0 380.282 2.382 20 0 GEADRO CSc1ccc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000578860078 652299539 /nfs/dbraw/zinc/29/95/39/652299539.db2.gz MCWGSNVBBGJIBI-HNNXBMFYSA-N 1 0 381.519 2.212 20 0 GEADRO C[NH+]1CCC(CCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000750586035 652299573 /nfs/dbraw/zinc/29/95/73/652299573.db2.gz BEERGOBWIGRFBR-UHFFFAOYSA-N 1 0 378.416 2.442 20 0 GEADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)COCC(F)F)CC1 ZINC000624715465 652300220 /nfs/dbraw/zinc/30/02/20/652300220.db2.gz DHXJQPGQFYCCFG-UHFFFAOYSA-N 1 0 392.244 2.421 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCn2ccnc2C1)COc1cc(F)cc(Br)c1 ZINC000578880656 652301275 /nfs/dbraw/zinc/30/12/75/652301275.db2.gz KCXDMASRHMYKOK-KBPBESRZSA-N 1 0 384.249 2.129 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000578896193 652302607 /nfs/dbraw/zinc/30/26/07/652302607.db2.gz VHCJDJNJIPKYJG-KRWDZBQOSA-N 1 0 382.346 2.479 20 0 GEADRO C[NH+](C)C1(CNS(=O)(=O)c2cccnc2OCC(F)F)CCCCC1 ZINC000624794077 652303889 /nfs/dbraw/zinc/30/38/89/652303889.db2.gz HOGSLWZSZDHLST-UHFFFAOYSA-N 1 0 377.457 2.268 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cccnc1OCC(F)F)[N@@H+]1CCCC[C@@H]1C ZINC000624855532 652306714 /nfs/dbraw/zinc/30/67/14/652306714.db2.gz ZJQVZWIKARKHQR-QWHCGFSZSA-N 1 0 377.457 2.267 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000578980700 652308774 /nfs/dbraw/zinc/30/87/74/652308774.db2.gz NMSUPAUEZDYZFP-NSHDSACASA-N 1 0 394.273 2.298 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2c(C)cc(Br)cc2OC)C1 ZINC000658779124 652312931 /nfs/dbraw/zinc/31/29/31/652312931.db2.gz OKBOZLPMWTYULE-CYBMUJFWSA-N 1 0 398.301 2.305 20 0 GEADRO CCN(C(=O)C(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CC[N@H+](C)C1 ZINC000658806580 652314876 /nfs/dbraw/zinc/31/48/76/652314876.db2.gz HCKLZPIQNCRRNY-GFCCVEGCSA-N 1 0 388.331 2.022 20 0 GEADRO CCN(C(=O)C(=O)N(C)Cc1csc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000658805871 652314907 /nfs/dbraw/zinc/31/49/07/652314907.db2.gz BVDMYGFLJKJGBO-LBPRGKRZSA-N 1 0 388.331 2.022 20 0 GEADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000624977814 652317031 /nfs/dbraw/zinc/31/70/31/652317031.db2.gz FLJJZSAHMFCKMU-HNNXBMFYSA-N 1 0 381.533 2.100 20 0 GEADRO CCN(C(=O)C(=O)N(C)Cc1cccc(Br)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658829920 652317772 /nfs/dbraw/zinc/31/77/72/652317772.db2.gz OLIKBFXUQZTFPM-MRXNPFEDSA-N 1 0 396.329 2.350 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C1CCN(S(=O)(=O)CCCC)CC1 ZINC000579159025 652320901 /nfs/dbraw/zinc/32/09/01/652320901.db2.gz GYOKKRJMOFUMSZ-INIZCTEOSA-N 1 0 375.579 2.065 20 0 GEADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000751105623 652323717 /nfs/dbraw/zinc/32/37/17/652323717.db2.gz ZWDMYDPZSZADSV-GFCCVEGCSA-N 1 0 389.905 2.064 20 0 GEADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000658892663 652324915 /nfs/dbraw/zinc/32/49/15/652324915.db2.gz AGHJAYBVJLJBIV-JKSUJKDBSA-N 1 0 394.313 2.275 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000658893019 652325993 /nfs/dbraw/zinc/32/59/93/652325993.db2.gz ZDAZMGMEDJOEKA-OAHLLOKOSA-N 1 0 382.302 2.133 20 0 GEADRO C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)c1nc(-c2ccc(Br)cc2)no1 ZINC000579225152 652326615 /nfs/dbraw/zinc/32/66/15/652326615.db2.gz LCSNPYILHNOBIW-RDGWCUKFSA-N 1 0 377.242 2.428 20 0 GEADRO COc1cc(NC(=O)CC[NH2+][C@H](C)[C@H](CO)SC)c(OC)cc1Cl ZINC000579239855 652327928 /nfs/dbraw/zinc/32/79/28/652327928.db2.gz QFRBTXPJEYXONM-BMIGLBTASA-N 1 0 376.906 2.388 20 0 GEADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)[C@@H](CO)SC)c(OC)cc1Cl ZINC000579239858 652327942 /nfs/dbraw/zinc/32/79/42/652327942.db2.gz QFRBTXPJEYXONM-ZUZCIYMTSA-N 1 0 376.906 2.388 20 0 GEADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000579257507 652329210 /nfs/dbraw/zinc/32/92/10/652329210.db2.gz ZBBVAXPNBPYXDA-LLVKDONJSA-N 1 0 393.912 2.040 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000579329428 652331379 /nfs/dbraw/zinc/33/13/79/652331379.db2.gz JZCOGFCIASLMIX-JQWIXIFHSA-N 1 0 379.262 2.279 20 0 GEADRO Brc1ccc(-c2c[nH]c(C[NH2+][C@@H]3CCc4nnnn4CC3)n2)cc1 ZINC000579341000 652331939 /nfs/dbraw/zinc/33/19/39/652331939.db2.gz PWFFPPUFLNBUNG-CYBMUJFWSA-N 1 0 388.273 2.320 20 0 GEADRO Brc1cc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc2c1OCCO2 ZINC000579342610 652332475 /nfs/dbraw/zinc/33/24/75/652332475.db2.gz WVOCJFYGBKVZPP-HZPDHXFCSA-N 1 0 383.286 2.077 20 0 GEADRO C[NH+](C)C[C@H](CNC(=O)[C@]12CCC(=O)N1CCS2)c1ccc(Cl)cc1 ZINC000579363000 652334138 /nfs/dbraw/zinc/33/41/38/652334138.db2.gz ALOMAQUDNSRMAX-KBXCAEBGSA-N 1 0 381.929 2.167 20 0 GEADRO CCc1cc(Br)ccc1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659003651 652336680 /nfs/dbraw/zinc/33/66/80/652336680.db2.gz FANKMOYNUFKWCB-UHFFFAOYSA-N 1 0 380.246 2.288 20 0 GEADRO COCC[NH2+]CCNC(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000659046826 652337862 /nfs/dbraw/zinc/33/78/62/652337862.db2.gz BCAVFROHAUHAIK-UHFFFAOYSA-N 1 0 380.670 2.469 20 0 GEADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)CCc3cccs3)CC2)CC1 ZINC000579469087 652339502 /nfs/dbraw/zinc/33/95/02/652339502.db2.gz RPFYNEQHSXKSJR-UHFFFAOYSA-N 1 0 385.599 2.112 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625282836 652340264 /nfs/dbraw/zinc/34/02/64/652340264.db2.gz MJZPPQSNSCGDEE-HYVNUMGLSA-N 1 0 381.314 2.371 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(F)c(Br)c1F)[C@H]1CC[NH2+]C1 ZINC000659077253 652340597 /nfs/dbraw/zinc/34/05/97/652340597.db2.gz GRLQODJPFUDSHV-VIFPVBQESA-N 1 0 390.228 2.266 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c(Cl)cc1Br ZINC000659088516 652342528 /nfs/dbraw/zinc/34/25/28/652342528.db2.gz KJRVPCWHUWXLDE-HTQZYQBOSA-N 1 0 392.681 2.292 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000659100726 652343380 /nfs/dbraw/zinc/34/33/80/652343380.db2.gz RNSICOYMLZSJSJ-UHFFFAOYSA-N 1 0 376.869 2.352 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000659104716 652343904 /nfs/dbraw/zinc/34/39/04/652343904.db2.gz PAOFTEFAGYZVMU-UHFFFAOYSA-N 1 0 390.640 2.048 20 0 GEADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000579593942 652345928 /nfs/dbraw/zinc/34/59/28/652345928.db2.gz MGVWCSVIPCOLJA-DWRORGKVSA-N 1 0 391.309 2.242 20 0 GEADRO C[C@]1(NC(=O)Cn2cc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000579600032 652346451 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[NH3+]CCCn1cc(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)nn1 ZINC000659359749 652354974 /nfs/dbraw/zinc/35/49/74/652354974.db2.gz XHOKKUGDFQNTGJ-UHFFFAOYSA-N 1 0 392.301 2.142 20 0 GEADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659359997 652354987 /nfs/dbraw/zinc/35/49/87/652354987.db2.gz YEEUVRYUEABOHH-HZPDHXFCSA-N 1 0 383.286 2.118 20 0 GEADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000659369721 652355351 /nfs/dbraw/zinc/35/53/51/652355351.db2.gz PGLROLPPDBUZOA-LSDHHAIUSA-N 1 0 385.327 2.444 20 0 GEADRO C[NH2+]C[C@H](C)NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000659440868 652357818 /nfs/dbraw/zinc/35/78/18/652357818.db2.gz VMFLSMZJUHUFQU-ZDUSSCGKSA-N 1 0 384.318 2.404 20 0 GEADRO [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000659486192 652359563 /nfs/dbraw/zinc/35/95/63/652359563.db2.gz JXDWFIZULAYQPC-TVIZTDCDSA-N 1 0 379.302 2.161 20 0 GEADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000659506862 652359839 /nfs/dbraw/zinc/35/98/39/652359839.db2.gz 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C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CCO1 ZINC000660156002 652391034 /nfs/dbraw/zinc/39/10/34/652391034.db2.gz IULTYOYKLKSWDY-CQSZACIVSA-N 1 0 378.897 2.352 20 0 GEADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)CCO1 ZINC000660156082 652391038 /nfs/dbraw/zinc/39/10/38/652391038.db2.gz JVJOKYWWCNWQJX-OAHLLOKOSA-N 1 0 378.897 2.352 20 0 GEADRO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1cccs1 ZINC000580753198 652391087 /nfs/dbraw/zinc/39/10/87/652391087.db2.gz KTMSAVQMBHZKHQ-OLZOCXBDSA-N 1 0 376.503 2.121 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000660159849 652391584 /nfs/dbraw/zinc/39/15/84/652391584.db2.gz YERQRBSREFYRGU-AWEZNQCLSA-N 1 0 380.432 2.437 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1Cl ZINC000580773870 652392188 /nfs/dbraw/zinc/39/21/88/652392188.db2.gz LLUHAFNLKWQMHF-LLVKDONJSA-N 1 0 377.869 2.330 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000626450506 652392869 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20 0 GEADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000582438932 652450644 /nfs/dbraw/zinc/45/06/44/652450644.db2.gz YBOVOHVMZPFBPO-UHFFFAOYSA-N 1 0 396.329 2.007 20 0 GEADRO C[C@H]1C[NH+](CCCCNc2ccc(I)cn2)C[C@H](C)O1 ZINC000582456864 652450932 /nfs/dbraw/zinc/45/09/32/652450932.db2.gz NEZCMBPEZIMHDJ-STQMWFEESA-N 1 0 389.281 2.988 20 0 GEADRO C[C@@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ncc(Br)cn1 ZINC000582472122 652451665 /nfs/dbraw/zinc/45/16/65/652451665.db2.gz ZYKSEXNKZPMNGF-OLZOCXBDSA-N 1 0 382.306 2.427 20 0 GEADRO CN(CCS(=O)(=O)c1cccc(Br)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662328578 652455942 /nfs/dbraw/zinc/45/59/42/652455942.db2.gz FYCHJGIZVYYDDR-NSHDSACASA-N 1 0 389.237 2.044 20 0 GEADRO CN(CCS(=O)(=O)c1ccc(Br)cc1)[C@H](C[NH3+])C(F)(F)F ZINC000662328321 652456024 /nfs/dbraw/zinc/45/60/24/652456024.db2.gz BNYNTQOTJGSXOY-LLVKDONJSA-N 1 0 389.237 2.044 20 0 GEADRO CN(Cc1cc(Br)cs1)C(=O)CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000662328347 652456099 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[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Br)C1 ZINC000662405911 652459398 /nfs/dbraw/zinc/45/93/98/652459398.db2.gz RYROTEVCVNFUCU-SNVBAGLBSA-N 1 0 388.693 2.030 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)c1c(F)cccc1I ZINC000582700318 652459603 /nfs/dbraw/zinc/45/96/03/652459603.db2.gz CREHFKSSONZPNU-UHFFFAOYSA-N 1 0 394.228 2.081 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2sc3c(c2Br)CNC3)cn1 ZINC000662425942 652460138 /nfs/dbraw/zinc/46/01/38/652460138.db2.gz PCPZDGTXOWDRIN-UHFFFAOYSA-N 1 0 384.303 2.124 20 0 GEADRO COc1ccc(Br)cc1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662426531 652460293 /nfs/dbraw/zinc/46/02/93/652460293.db2.gz TXHMVTKJPHJAPB-SNVBAGLBSA-N 1 0 379.258 2.188 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000628584709 652463997 /nfs/dbraw/zinc/46/39/97/652463997.db2.gz JRTNRIBAXZJJIK-NSHDSACASA-N 1 0 399.314 2.062 20 0 GEADRO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2cccc(Br)c2C1 ZINC000662498450 652464403 /nfs/dbraw/zinc/46/44/03/652464403.db2.gz OSSBSNWAHYZDLZ-LBPRGKRZSA-N 1 0 375.270 2.448 20 0 GEADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662519315 652465736 /nfs/dbraw/zinc/46/57/36/652465736.db2.gz RSMSTUUYAIHAQC-KRWDZBQOSA-N 1 0 381.270 2.436 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662542992 652466824 /nfs/dbraw/zinc/46/68/24/652466824.db2.gz QIJBBNQVZPSKTO-GFCCVEGCSA-N 1 0 396.264 2.424 20 0 GEADRO C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000628679458 652467638 /nfs/dbraw/zinc/46/76/38/652467638.db2.gz UGJSHXZEARYHPN-XHBKTUGNSA-N 1 0 381.314 2.125 20 0 GEADRO [NH3+]C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)CC12CCOCC2 ZINC000582965835 652468734 /nfs/dbraw/zinc/46/87/34/652468734.db2.gz XWSURGMZTBJQJB-CQSZACIVSA-N 1 0 397.313 2.408 20 0 GEADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000662623636 652469625 /nfs/dbraw/zinc/46/96/25/652469625.db2.gz FQDKBIDOQTWCHA-HOTGVXAUSA-N 1 0 393.285 2.191 20 0 GEADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000628750220 652469925 /nfs/dbraw/zinc/46/99/25/652469925.db2.gz RESWMMDTQSYPAQ-LLVKDONJSA-N 1 0 396.285 2.242 20 0 GEADRO C[N@@H+]1CCCC[C@@H](CNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000628748324 652469984 /nfs/dbraw/zinc/46/99/84/652469984.db2.gz VZFSOBKJFWNJAV-NSHDSACASA-N 1 0 388.331 2.089 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)N3CC4CC3(C[NH3+])C4)CC2=O)ccc1Br ZINC000662676779 652470257 /nfs/dbraw/zinc/47/02/57/652470257.db2.gz MIPBMASAHVKJPO-XYEKJYRLSA-N 1 0 392.297 2.060 20 0 GEADRO O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000662721279 652471556 /nfs/dbraw/zinc/47/15/56/652471556.db2.gz NJGBUVKIYBLTBI-AAEPOTHZSA-N 1 0 382.291 2.466 20 0 GEADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccccc2Br)CC1 ZINC000662747216 652472794 /nfs/dbraw/zinc/47/27/94/652472794.db2.gz VKJQKKRTYMSRLS-UHFFFAOYSA-N 1 0 382.302 2.170 20 0 GEADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662745164 652472890 /nfs/dbraw/zinc/47/28/90/652472890.db2.gz GZDRXFIAGHJNCJ-KBRIMQKVSA-N 1 0 396.329 2.018 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000583172916 652475004 /nfs/dbraw/zinc/47/50/04/652475004.db2.gz OQSXFWGCLJCEIX-UHFFFAOYSA-N 1 0 375.922 2.320 20 0 GEADRO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CCN(CC(F)(F)F)CC1 ZINC000662808894 652475094 /nfs/dbraw/zinc/47/50/94/652475094.db2.gz MKRYCTMUMGGBPY-ZWNOBZJWSA-N 1 0 375.357 2.307 20 0 GEADRO Cc1c(C[NH3+])c(NC(=O)[C@H]2CCOc3ccc(Br)cc32)nn1C ZINC000662834920 652476070 /nfs/dbraw/zinc/47/60/70/652476070.db2.gz CQLSEBLGLKAUKI-NSHDSACASA-N 1 0 379.258 2.455 20 0 GEADRO CCC[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)S(N)(=O)=O ZINC000628969651 652476827 /nfs/dbraw/zinc/47/68/27/652476827.db2.gz XCYIWAIYKJCKQP-UONOGXRCSA-N 1 0 396.340 2.170 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NCC1([NH3+])CCCC1)c1ccc(Br)cc1 ZINC000662864749 652476976 /nfs/dbraw/zinc/47/69/76/652476976.db2.gz FUHWLJQYBNWOKY-HNNXBMFYSA-N 1 0 382.302 2.404 20 0 GEADRO OC1(C[NH+]2CCOCC2)CCN(Cc2cscc2Br)CC1 ZINC000583211693 652477509 /nfs/dbraw/zinc/47/75/09/652477509.db2.gz CVQQVMCMTIOZMW-UHFFFAOYSA-N 1 0 375.332 2.170 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000755839379 652477766 /nfs/dbraw/zinc/47/77/66/652477766.db2.gz XXHLJURSWRMLIL-STQMWFEESA-N 1 0 377.432 2.095 20 0 GEADRO COc1cc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c(Cl)cc1Br ZINC000662920066 652478184 /nfs/dbraw/zinc/47/81/84/652478184.db2.gz RUHRKGDWZURMAD-ZDUSSCGKSA-N 1 0 392.681 2.149 20 0 GEADRO COCCN1C(=O)C[C@H](N2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC000583243833 652478474 /nfs/dbraw/zinc/47/84/74/652478474.db2.gz UWUVEFHOICZDGS-ZFWWWQNUSA-N 1 0 381.270 2.012 20 0 GEADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662926631 652478959 /nfs/dbraw/zinc/47/89/59/652478959.db2.gz QYJSDKCRWQPRMQ-UHFFFAOYSA-N 1 0 394.313 2.137 20 0 GEADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N(C)CCC[NH3+])ccc1Br ZINC000662943017 652479428 /nfs/dbraw/zinc/47/94/28/652479428.db2.gz OCDRKLOQDTZERM-HNNXBMFYSA-N 1 0 382.302 2.228 20 0 GEADRO [NH3+]CCC1CCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC1 ZINC000662968418 652479674 /nfs/dbraw/zinc/47/96/74/652479674.db2.gz FXACVOKQDDUVRK-UHFFFAOYSA-N 1 0 384.307 2.466 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C1 ZINC000662969673 652479961 /nfs/dbraw/zinc/47/99/61/652479961.db2.gz WHMNQAOKPNTXLZ-LBPRGKRZSA-N 1 0 384.307 2.466 20 0 GEADRO CCOC(=O)C[C@H](C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000583317596 652480882 /nfs/dbraw/zinc/48/08/82/652480882.db2.gz PWCVCAMIRUHYGA-LBPRGKRZSA-N 1 0 392.315 2.402 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N2Cc3ccc(C)c(Br)c3C2)CC[C@H]1[NH3+] ZINC000662993639 652480897 /nfs/dbraw/zinc/48/08/97/652480897.db2.gz PNLQEPDJMGEOIF-IUODEOHRSA-N 1 0 394.313 2.186 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000583311830 652481011 /nfs/dbraw/zinc/48/10/11/652481011.db2.gz YELASXFBHLNRHD-BBRMVZONSA-N 1 0 383.334 2.055 20 0 GEADRO CC(C)(CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)[NH+]1CCCCC1 ZINC000583313043 652481040 /nfs/dbraw/zinc/48/10/40/652481040.db2.gz JNKJYLCFGDUJRK-UHFFFAOYSA-N 1 0 378.420 2.481 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000583310455 652481047 /nfs/dbraw/zinc/48/10/47/652481047.db2.gz XQTWQQJTHFVJAO-UHFFFAOYSA-N 1 0 380.286 2.298 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000583382734 652482835 /nfs/dbraw/zinc/48/28/35/652482835.db2.gz KWKRYXLEHFDUDB-DYVFJYSZSA-N 1 0 380.330 2.231 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000583430215 652484674 /nfs/dbraw/zinc/48/46/74/652484674.db2.gz YXSWEYWBAJJSQO-CABZTGNLSA-N 1 0 379.814 2.463 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000583430216 652484787 /nfs/dbraw/zinc/48/47/87/652484787.db2.gz YXSWEYWBAJJSQO-JOYOIKCWSA-N 1 0 379.814 2.463 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)COc1cccc(I)c1 ZINC000583435386 652484792 /nfs/dbraw/zinc/48/47/92/652484792.db2.gz ZKTRBHDNPVUBNN-LBPRGKRZSA-N 1 0 376.238 2.160 20 0 GEADRO CN(C)[C@]1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCSC1 ZINC000583494874 652487357 /nfs/dbraw/zinc/48/73/57/652487357.db2.gz IGMSJWHTRMDOJP-ZBFHGGJFSA-N 1 0 389.359 2.216 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000583504262 652487514 /nfs/dbraw/zinc/48/75/14/652487514.db2.gz LOOFFPFCRGXPQQ-GFCCVEGCSA-N 1 0 379.345 2.295 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@H]1CCc2cc(Br)ccc21 ZINC000583502076 652487560 /nfs/dbraw/zinc/48/75/60/652487560.db2.gz ZTTXTXGMWXAULZ-WBVHZDCISA-N 1 0 381.314 2.442 20 0 GEADRO O=C(NCc1cc(Cl)ccc1Br)NC[C@@H]1C[NH2+]CCCO1 ZINC000583563346 652490004 /nfs/dbraw/zinc/49/00/04/652490004.db2.gz QLOKDSJNMGNXLK-LBPRGKRZSA-N 1 0 376.682 2.280 20 0 GEADRO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]Cc1csc(Br)c1 ZINC000583622613 652491821 /nfs/dbraw/zinc/49/18/21/652491821.db2.gz PWDJQXIJRKBOSM-NSHDSACASA-N 1 0 395.278 2.257 20 0 GEADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000663309733 652493089 /nfs/dbraw/zinc/49/30/89/652493089.db2.gz CWSSDOJFXHKGIR-SNVBAGLBSA-N 1 0 375.210 2.268 20 0 GEADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000663310281 652493119 /nfs/dbraw/zinc/49/31/19/652493119.db2.gz SOUPVGMAKRKMJZ-SNVBAGLBSA-N 1 0 380.310 2.224 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629560434 652493144 /nfs/dbraw/zinc/49/31/44/652493144.db2.gz YLXMOWVJXRVMBC-OAHLLOKOSA-N 1 0 384.318 2.132 20 0 GEADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000663310954 652493511 /nfs/dbraw/zinc/49/35/11/652493511.db2.gz JYUGGLXGECEVHV-SNVBAGLBSA-N 1 0 393.200 2.407 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1Cl ZINC000663313262 652493783 /nfs/dbraw/zinc/49/37/83/652493783.db2.gz VULDHTLEUJZDNH-LBPRGKRZSA-N 1 0 383.695 2.141 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(CCS(=O)(=O)c1cccc(Br)c1)C2 ZINC000629585210 652494209 /nfs/dbraw/zinc/49/42/09/652494209.db2.gz NJTMHCDLVYATQI-IYBDPMFKSA-N 1 0 387.343 2.154 20 0 GEADRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000629602253 652494961 /nfs/dbraw/zinc/49/49/61/652494961.db2.gz HZECJPDJKQTAPK-HNNXBMFYSA-N 1 0 399.329 2.427 20 0 GEADRO CCC(CC)[C@H](CNc1ncc(Br)cc1S(N)(=O)=O)[NH+](C)C ZINC000663380875 652496094 /nfs/dbraw/zinc/49/60/94/652496094.db2.gz ZAHOIFCLAJNQTF-LBPRGKRZSA-N 1 0 393.351 2.270 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000583742690 652496435 /nfs/dbraw/zinc/49/64/35/652496435.db2.gz SKWPIQDJZPDXRG-UHFFFAOYSA-N 1 0 375.922 2.191 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc(Br)nc3)CC2)CC1 ZINC000756364293 652497097 /nfs/dbraw/zinc/49/70/97/652497097.db2.gz JMXFCIKLSXWWBS-UHFFFAOYSA-N 1 0 395.345 2.334 20 0 GEADRO C[NH+](C)CCOc1cnccc1CNS(=O)(=O)c1ccc(F)cc1Cl ZINC000583834698 652498797 /nfs/dbraw/zinc/49/87/97/652498797.db2.gz VGPBNOHXQSHUOL-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNc2nc(C3CC3)ncc2Br)C1 ZINC000663526182 652502727 /nfs/dbraw/zinc/50/27/27/652502727.db2.gz NIMXGVDEEZKJED-LBPRGKRZSA-N 1 0 382.306 2.116 20 0 GEADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000583929162 652503002 /nfs/dbraw/zinc/50/30/02/652503002.db2.gz MNHZHZGAKYQNRA-NSHDSACASA-N 1 0 388.295 2.462 20 0 GEADRO Cc1nc(C)c(Br)c(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000663575269 652504263 /nfs/dbraw/zinc/50/42/63/652504263.db2.gz LFGABWLRDFMQKL-OAHLLOKOSA-N 1 0 382.350 2.462 20 0 GEADRO C[C@]1(NC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[NH2+]C1 ZINC000663583907 652504581 /nfs/dbraw/zinc/50/45/81/652504581.db2.gz GNLDMKZMOJXRDQ-INIZCTEOSA-N 1 0 383.290 2.159 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C[C@H]1[NH3+] ZINC000583982592 652504619 /nfs/dbraw/zinc/50/46/19/652504619.db2.gz ISIQRJCVZOCXJB-IAQYHMDHSA-N 1 0 395.301 2.496 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000663604909 652505804 /nfs/dbraw/zinc/50/58/04/652505804.db2.gz OUJGBPRSRRRVJM-BDAKNGLRSA-N 1 0 379.766 2.386 20 0 GEADRO C[C@]1(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)CC[NH2+]C1 ZINC000663612598 652506766 /nfs/dbraw/zinc/50/67/66/652506766.db2.gz YFICBMCUEGVREF-ZDUSSCGKSA-N 1 0 394.191 2.275 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000584064424 652507891 /nfs/dbraw/zinc/50/78/91/652507891.db2.gz AVEAKROEMMWLKK-DTWKUNHWSA-N 1 0 381.267 2.097 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000756933222 652508831 /nfs/dbraw/zinc/50/88/31/652508831.db2.gz MHEOVFMFZKYFTM-LBPRGKRZSA-N 1 0 378.274 2.196 20 0 GEADRO C[C@@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)[NH+]1CC(C)C1 ZINC000584122086 652510338 /nfs/dbraw/zinc/51/03/38/652510338.db2.gz HPNUVPTVJSBRLO-ZDUSSCGKSA-N 1 0 382.302 2.025 20 0 GEADRO C[NH+]1CCN(CCCNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630557464 652511939 /nfs/dbraw/zinc/51/19/39/652511939.db2.gz FWRFLCRLEIVPKM-RCCFBDPRSA-N 1 0 392.341 2.089 20 0 GEADRO CCN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CC[N@H+](C)C1 ZINC000663829629 652512609 /nfs/dbraw/zinc/51/26/09/652512609.db2.gz SFJHJKWSDIYESS-ZDUSSCGKSA-N 1 0 398.301 2.456 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(c2cccnn2)CC1 ZINC000584187096 652512798 /nfs/dbraw/zinc/51/27/98/652512798.db2.gz MWKLMLOTXQPDNF-ZDUSSCGKSA-N 1 0 392.301 2.048 20 0 GEADRO O=C(NCc1sccc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663865634 652514111 /nfs/dbraw/zinc/51/41/11/652514111.db2.gz HHMWDZIJJZZJJQ-LBPRGKRZSA-N 1 0 388.331 2.251 20 0 GEADRO O=C(Cc1csc(CCC(F)(F)F)n1)NCCCC[NH+]1CCOCC1 ZINC000630751548 652514737 /nfs/dbraw/zinc/51/47/37/652514737.db2.gz RSNKIDGDPLUDIW-UHFFFAOYSA-N 1 0 379.448 2.409 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NCC2([NH3+])CCC2)cc1Cl ZINC000584291030 652515168 /nfs/dbraw/zinc/51/51/68/652515168.db2.gz VKMDTWJONQOWTL-UHFFFAOYSA-N 1 0 383.695 2.271 20 0 GEADRO C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000584286991 652515220 /nfs/dbraw/zinc/51/52/20/652515220.db2.gz QIPLPTSTPMKFHX-XHDPSFHLSA-N 1 0 386.265 2.282 20 0 GEADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000584290884 652515275 /nfs/dbraw/zinc/51/52/75/652515275.db2.gz NCPPBHOWMJNYHC-ZANVPECISA-N 1 0 392.233 2.460 20 0 GEADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C)c1cc(Br)cnn1 ZINC000663899753 652515526 /nfs/dbraw/zinc/51/55/26/652515526.db2.gz NZUVAVCIHJOTLC-BLLLJJGKSA-N 1 0 379.306 2.492 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)[C@]3(C)CCC[NH2+]C3)C2=O)ccc1Br ZINC000584292523 652515545 /nfs/dbraw/zinc/51/55/45/652515545.db2.gz BIVZNUNCBQQRNA-MAUKXSAKSA-N 1 0 394.313 2.369 20 0 GEADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000584302111 652515819 /nfs/dbraw/zinc/51/58/19/652515819.db2.gz SGMAQQTYAIUTQF-UHFFFAOYSA-N 1 0 386.901 2.327 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000584340915 652517448 /nfs/dbraw/zinc/51/74/48/652517448.db2.gz XVYSKNPUZSPPTJ-KGLIPLIRSA-N 1 0 387.311 2.250 20 0 GEADRO C[NH+](C)CCNC(=S)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000757542132 652518158 /nfs/dbraw/zinc/51/81/58/652518158.db2.gz MOKPIFMDCHOTGC-LLVKDONJSA-N 1 0 395.882 2.358 20 0 GEADRO O=C(NCc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664024024 652518385 /nfs/dbraw/zinc/51/83/85/652518385.db2.gz FITCAPGHVDHBAP-INIZCTEOSA-N 1 0 382.302 2.190 20 0 GEADRO O[C@H](CNCc1ccncc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000631041451 652518601 /nfs/dbraw/zinc/51/86/01/652518601.db2.gz ZMZHTKOGZKUKKR-QGZVFWFLSA-N 1 0 376.298 2.353 20 0 GEADRO CC[NH+]1CCC(CNc2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000584403840 652519912 /nfs/dbraw/zinc/51/99/12/652519912.db2.gz ZATQWNACBDDHEG-UHFFFAOYSA-N 1 0 394.310 2.379 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000631371442 652521962 /nfs/dbraw/zinc/52/19/62/652521962.db2.gz FBVPAQPBMIIEHT-FGTMMUONSA-N 1 0 393.325 2.298 20 0 GEADRO COc1cc2[nH+]ccc(NC[C@@]3(OCCO)CCOC3)c2cc1Br ZINC000664239502 652523592 /nfs/dbraw/zinc/52/35/92/652523592.db2.gz DGZQBEHWACGTIK-KRWDZBQOSA-N 1 0 397.269 2.008 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000584588986 652524277 /nfs/dbraw/zinc/52/42/77/652524277.db2.gz QGSPKAAPLVIXFT-KCJUWKMLSA-N 1 0 389.091 2.431 20 0 GEADRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000584586465 652524296 /nfs/dbraw/zinc/52/42/96/652524296.db2.gz BFFOLXCRFSXPBZ-YSVLISHTSA-N 1 0 399.329 2.472 20 0 GEADRO Cc1[nH+]c2ccc(Br)cc2c(NC[C@H](O)Cn2ccnn2)c1C ZINC000584766693 652528734 /nfs/dbraw/zinc/52/87/34/652528734.db2.gz SFQCSFWFGLBLCI-ZDUSSCGKSA-N 1 0 376.258 2.101 20 0 GEADRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccc(I)c(Cl)c2)O1 ZINC000584778950 652529086 /nfs/dbraw/zinc/52/90/86/652529086.db2.gz HTZONCZXRCSHTP-SKDRFNHKSA-N 1 0 394.640 2.067 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)ncc1Br ZINC000584791341 652529656 /nfs/dbraw/zinc/52/96/56/652529656.db2.gz GLIBCRBOQWYUBY-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1Cl ZINC000631655397 652529969 /nfs/dbraw/zinc/52/99/69/652529969.db2.gz CQYAHZGQEAULPQ-AWEZNQCLSA-N 1 0 387.933 2.381 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000584809371 652530362 /nfs/dbraw/zinc/53/03/62/652530362.db2.gz GXKHXNFYIQFTEI-OAHLLOKOSA-N 1 0 383.539 2.341 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000664588476 652530900 /nfs/dbraw/zinc/53/09/00/652530900.db2.gz YRKKLVIMQLYFHJ-SECBINFHSA-N 1 0 379.766 2.388 20 0 GEADRO O=C(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(Br)c1 ZINC000584834050 652531129 /nfs/dbraw/zinc/53/11/29/652531129.db2.gz OCSLJNCPTCFFOO-OWCLPIDISA-N 1 0 382.302 2.134 20 0 GEADRO O=C(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(Br)c1 ZINC000584834049 652531160 /nfs/dbraw/zinc/53/11/60/652531160.db2.gz OCSLJNCPTCFFOO-HRCADAONSA-N 1 0 382.302 2.134 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000631721312 652533350 /nfs/dbraw/zinc/53/33/50/652533350.db2.gz KVJKULSUBDUUQP-UHFFFAOYSA-N 1 0 382.452 2.372 20 0 GEADRO O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000631797980 652534702 /nfs/dbraw/zinc/53/47/02/652534702.db2.gz KXSYYSGIRDJKJL-UHFFFAOYSA-N 1 0 380.436 2.315 20 0 GEADRO CSCc1nn(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(=S)o1 ZINC000758252558 652534861 /nfs/dbraw/zinc/53/48/61/652534861.db2.gz IVRYIFISEQBYOH-UHFFFAOYSA-N 1 0 385.603 2.376 20 0 GEADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1ccc(Br)cn1 ZINC000664679106 652535011 /nfs/dbraw/zinc/53/50/11/652535011.db2.gz XHETXWRWJBGOBP-CYBMUJFWSA-N 1 0 395.301 2.021 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CCCC[NH+](C)C)c1OC ZINC000585737305 652536174 /nfs/dbraw/zinc/53/61/74/652536174.db2.gz JRDQYRMBYXWTKT-UHFFFAOYSA-N 1 0 392.905 2.098 20 0 GEADRO O=c1cc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)nc2ccc(Br)cn12 ZINC000631885550 652537985 /nfs/dbraw/zinc/53/79/85/652537985.db2.gz BSIWBVVIHMBEKN-SWLSCSKDSA-N 1 0 377.286 2.031 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888254 652538083 /nfs/dbraw/zinc/53/80/83/652538083.db2.gz XQQSYOPCKLYVCI-YOEHRIQHSA-N 1 0 380.330 2.481 20 0 GEADRO CCSc1ccc([C@@H](C)NS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1 ZINC000631898836 652539150 /nfs/dbraw/zinc/53/91/50/652539150.db2.gz AWYAQKMRVOUQPG-MRXNPFEDSA-N 1 0 385.599 2.417 20 0 GEADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000631901191 652539536 /nfs/dbraw/zinc/53/95/36/652539536.db2.gz UGDAKRAJZONQLW-MRVPVSSYSA-N 1 0 376.301 2.041 20 0 GEADRO C[N@H+](CCNS(=O)(=O)Cc1ncsc1Br)C1CCCC1 ZINC000631905601 652539800 /nfs/dbraw/zinc/53/98/00/652539800.db2.gz QYCZMKXFEFBJJP-UHFFFAOYSA-N 1 0 382.349 2.199 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cccnc3I)C2)CC1 ZINC000758409686 652540111 /nfs/dbraw/zinc/54/01/11/652540111.db2.gz CBBSWRMDKTWUHA-ZDUSSCGKSA-N 1 0 399.276 2.490 20 0 GEADRO Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)C[C@H]3C[NH2+]CCO3)cc2)cs1 ZINC000631911409 652540527 /nfs/dbraw/zinc/54/05/27/652540527.db2.gz FDRWBPLGGDBCOT-MLGOLLRUSA-N 1 0 381.523 2.087 20 0 GEADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000631914681 652540782 /nfs/dbraw/zinc/54/07/82/652540782.db2.gz ZKQMYNLBWVSEFT-MSOLQXFVSA-N 1 0 380.897 2.337 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000631915194 652540800 /nfs/dbraw/zinc/54/08/00/652540800.db2.gz HBTVJHUQAWEIJW-UHFFFAOYSA-N 1 0 379.448 2.156 20 0 GEADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000631913649 652540818 /nfs/dbraw/zinc/54/08/18/652540818.db2.gz MLEJPSUFPWMVAD-GOEBONIOSA-N 1 0 386.926 2.399 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)N1CCC2(CC[NH2+]CC2)CC1 ZINC000631930362 652541512 /nfs/dbraw/zinc/54/15/12/652541512.db2.gz HDMSVWVOUWCNCG-UHFFFAOYSA-N 1 0 394.360 2.201 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631934556 652541833 /nfs/dbraw/zinc/54/18/33/652541833.db2.gz DWYCUACSKSFZRD-GZMMTYOYSA-N 1 0 390.328 2.335 20 0 GEADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631939367 652542411 /nfs/dbraw/zinc/54/24/11/652542411.db2.gz YLRXRQODUPQFHQ-UWVGGRQHSA-N 1 0 376.322 2.319 20 0 GEADRO O=S(=O)(Cc1ncsc1Br)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000631942733 652543081 /nfs/dbraw/zinc/54/30/81/652543081.db2.gz FYCCDZWFUZARPO-JQWIXIFHSA-N 1 0 394.360 2.342 20 0 GEADRO O=S(=O)(C[C@@H]1CCC(F)(F)C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000632056912 652547491 /nfs/dbraw/zinc/54/74/91/652547491.db2.gz NAZGMEZOUYYCNZ-OAHLLOKOSA-N 1 0 380.501 2.328 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)n1 ZINC000665292458 652550464 /nfs/dbraw/zinc/55/04/64/652550464.db2.gz AJHGZWWDWCRWMN-PBHICJAKSA-N 1 0 393.285 2.413 20 0 GEADRO CN(CC(=O)NCc1cccs1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000665295932 652550602 /nfs/dbraw/zinc/55/06/02/652550602.db2.gz MNDAYYDPCDFMFR-HNNXBMFYSA-N 1 0 381.567 2.040 20 0 GEADRO COc1ccc(CCC(=O)N2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000665529523 652554213 /nfs/dbraw/zinc/55/42/13/652554213.db2.gz MRPCQZCDGCCKAR-UHFFFAOYSA-N 1 0 398.345 2.096 20 0 GEADRO C[N@@H+](Cc1ccccc1)C[C@H](O)CSc1nnnn1Cc1cccs1 ZINC000588690295 652555127 /nfs/dbraw/zinc/55/51/27/652555127.db2.gz WEUDYVHXXULYCD-HNNXBMFYSA-N 1 0 375.523 2.368 20 0 GEADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000588746046 652555824 /nfs/dbraw/zinc/55/58/24/652555824.db2.gz VOQASFDHVIPPBR-GFCCVEGCSA-N 1 0 388.295 2.076 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ncsc1Br ZINC000632337058 652557993 /nfs/dbraw/zinc/55/79/93/652557993.db2.gz TUAURIXOLIMTTQ-PWSUYJOCSA-N 1 0 394.360 2.294 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000632368023 652559280 /nfs/dbraw/zinc/55/92/80/652559280.db2.gz AZZDCDGTWDMLMS-QMTHXVAHSA-N 1 0 389.905 2.020 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1 ZINC000632368064 652559464 /nfs/dbraw/zinc/55/94/64/652559464.db2.gz BHZQFDGBMSUBQP-ZWNOBZJWSA-N 1 0 377.304 2.171 20 0 GEADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3ncsc3Br)C2)C1 ZINC000632371133 652559690 /nfs/dbraw/zinc/55/96/90/652559690.db2.gz VUYCHXMPKRCBKZ-CYBMUJFWSA-N 1 0 394.360 2.153 20 0 GEADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1nnc(C(F)F)s1 ZINC000665857606 652561322 /nfs/dbraw/zinc/56/13/22/652561322.db2.gz AGHFCOZCUMAFLH-UHFFFAOYSA-N 1 0 375.445 2.488 20 0 GEADRO O=C(CCc1ccc(Br)cc1F)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000665888194 652561770 /nfs/dbraw/zinc/56/17/70/652561770.db2.gz DRGNFEFXDMBAIY-OAHLLOKOSA-N 1 0 387.293 2.484 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c(Br)c1 ZINC000589231779 652562705 /nfs/dbraw/zinc/56/27/05/652562705.db2.gz QRJNGDIAPUTSNN-UHFFFAOYSA-N 1 0 398.301 2.388 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)cc1Br ZINC000589233937 652562953 /nfs/dbraw/zinc/56/29/53/652562953.db2.gz SQMZAGOJSIQLEP-LLVKDONJSA-N 1 0 386.290 2.243 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000759130087 652564332 /nfs/dbraw/zinc/56/43/32/652564332.db2.gz LGHISEAZSYYSFJ-UHFFFAOYSA-N 1 0 375.535 2.245 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000666086542 652566480 /nfs/dbraw/zinc/56/64/80/652566480.db2.gz YKECHHMTYHLHDA-PWSUYJOCSA-N 1 0 382.224 2.226 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)[C@@H](C)C1 ZINC000632566703 652566993 /nfs/dbraw/zinc/56/69/93/652566993.db2.gz KEUCJSURDBEOHP-NWDGAFQWSA-N 1 0 379.448 2.094 20 0 GEADRO C[NH+]1CCN(C[C@@H](O)COc2cc(F)c(Cl)cc2Br)CC1 ZINC000666145232 652567382 /nfs/dbraw/zinc/56/73/82/652567382.db2.gz HIBCXISUHKSQHT-SNVBAGLBSA-N 1 0 381.673 2.229 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F)c1ccsc1 ZINC000666154038 652567639 /nfs/dbraw/zinc/56/76/39/652567639.db2.gz QBYIOZPLRFQSCU-MELADBBJSA-N 1 0 380.432 2.451 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cscc2Br)CCO1 ZINC000632576518 652568030 /nfs/dbraw/zinc/56/80/30/652568030.db2.gz SRPUUHDGGLDZPZ-NSHDSACASA-N 1 0 397.360 2.242 20 0 GEADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632639170 652571106 /nfs/dbraw/zinc/57/11/06/652571106.db2.gz NQRVVSFXQGXAIU-UHFFFAOYSA-N 1 0 380.436 2.078 20 0 GEADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(I)c(F)cc3F)[C@@H]2C1 ZINC000590045310 652573366 /nfs/dbraw/zinc/57/33/66/652573366.db2.gz PAUUQGGTBSXDKD-ISVAXAHUSA-N 1 0 392.187 2.346 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Br)cc2c1OCCO2 ZINC000666470223 652577490 /nfs/dbraw/zinc/57/74/90/652577490.db2.gz YLWZTHIEDIYRDR-UHFFFAOYSA-N 1 0 399.285 2.063 20 0 GEADRO Cc1c(Br)cncc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000666514703 652578692 /nfs/dbraw/zinc/57/86/92/652578692.db2.gz GIHJHLCQPJTJEZ-UHFFFAOYSA-N 1 0 382.302 2.337 20 0 GEADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632879061 652581679 /nfs/dbraw/zinc/58/16/79/652581679.db2.gz VJKRNTMFSVLFCD-FZMZJTMJSA-N 1 0 381.270 2.434 20 0 GEADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2c(Br)cnn2C)C1 ZINC000632898651 652582677 /nfs/dbraw/zinc/58/26/77/652582677.db2.gz MNSYJVSXQNQYCD-CYBMUJFWSA-N 1 0 386.338 2.494 20 0 GEADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cn(C)cc(Br)c1=O ZINC000666698594 652585042 /nfs/dbraw/zinc/58/50/42/652585042.db2.gz RQPVYKWFRGBMFO-GFCCVEGCSA-N 1 0 385.306 2.390 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000592097487 652585186 /nfs/dbraw/zinc/58/51/86/652585186.db2.gz JAKKZMAKXVHTJU-UKRRQHHQSA-N 1 0 385.302 2.443 20 0 GEADRO COCC[N@@H+]1CCC[C@H](NC(=O)COc2ccc(Br)cc2F)C1 ZINC000592096847 652585227 /nfs/dbraw/zinc/58/52/27/652585227.db2.gz DLHBXOWUXGYJQW-ZDUSSCGKSA-N 1 0 389.265 2.194 20 0 GEADRO O=C(NCCN1CCSCC1)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633076579 652585215 /nfs/dbraw/zinc/58/52/15/652585215.db2.gz XPAQCPMRWPMDDN-CQSZACIVSA-N 1 0 377.432 2.087 20 0 GEADRO CNc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000592114519 652587504 /nfs/dbraw/zinc/58/75/04/652587504.db2.gz TWJCAYQERULZDK-UHFFFAOYSA-N 1 0 390.285 2.668 20 0 GEADRO O=C(Cc1csc(CCC(F)(F)F)n1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000633256053 652590018 /nfs/dbraw/zinc/59/00/18/652590018.db2.gz IIBQSLYHFZNUAU-LBPRGKRZSA-N 1 0 379.448 2.144 20 0 GEADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCCc2ccc(Br)cc2OC)C1 ZINC000592194210 652590034 /nfs/dbraw/zinc/59/00/34/652590034.db2.gz FEBOHZVQPHDGGZ-HIFRSBDPSA-N 1 0 386.286 2.246 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H]1SC ZINC000592172804 652590138 /nfs/dbraw/zinc/59/01/38/652590138.db2.gz KXQUVWHSYRTISN-FMKPAKJESA-N 1 0 385.917 2.266 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)SCC[NH2+]C)ccc1C ZINC000592176369 652590145 /nfs/dbraw/zinc/59/01/45/652590145.db2.gz UODNLUIALCUTOI-CQSZACIVSA-N 1 0 387.571 2.305 20 0 GEADRO CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CCOCC1 ZINC000592393704 652593574 /nfs/dbraw/zinc/59/35/74/652593574.db2.gz KAWHCLNEGVBLFA-HUUCEWRRSA-N 1 0 375.531 2.070 20 0 GEADRO O=C(N[C@@H](c1nccs1)C(F)(F)F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000667148095 652593970 /nfs/dbraw/zinc/59/39/70/652593970.db2.gz QQRWBCIHTAZYLJ-NEPJUHHUSA-N 1 0 378.420 2.299 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000633427862 652596493 /nfs/dbraw/zinc/59/64/93/652596493.db2.gz HNXGOWJTBYUHBH-CYBMUJFWSA-N 1 0 384.322 2.056 20 0 GEADRO Cn1cc(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc(Br)c1=O ZINC000667203935 652596810 /nfs/dbraw/zinc/59/68/10/652596810.db2.gz XSWIPGHOCJVGAL-UHFFFAOYSA-N 1 0 377.242 2.073 20 0 GEADRO O=C(CN(C1CC1)C1CC[NH2+]CC1)Nc1ccc(I)cc1 ZINC000592469578 652597041 /nfs/dbraw/zinc/59/70/41/652597041.db2.gz SCSUZKHCAXYKHH-UHFFFAOYSA-N 1 0 399.276 2.446 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CCC(C)([NH3+])CC1 ZINC000592485797 652597367 /nfs/dbraw/zinc/59/73/67/652597367.db2.gz ZUFIQBDYCCCCDV-UHFFFAOYSA-N 1 0 387.265 2.351 20 0 GEADRO COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000592514209 652598121 /nfs/dbraw/zinc/59/81/21/652598121.db2.gz FNFRXRYFYCVRFM-XHSDSOJGSA-N 1 0 395.297 2.415 20 0 GEADRO COc1ccc(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1Br ZINC000592519442 652598287 /nfs/dbraw/zinc/59/82/87/652598287.db2.gz PKXGJGPFLBCTAW-LBPRGKRZSA-N 1 0 393.285 2.420 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000667262645 652599166 /nfs/dbraw/zinc/59/91/66/652599166.db2.gz KMHPEPGMQULCBU-NSHDSACASA-N 1 0 375.416 2.380 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000760212701 652599313 /nfs/dbraw/zinc/59/93/13/652599313.db2.gz LTUMCTQZZQUKJZ-LBPRGKRZSA-N 1 0 391.269 2.146 20 0 GEADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000667264640 652599569 /nfs/dbraw/zinc/59/95/69/652599569.db2.gz SDBHUUIKYDKSHH-ZDUSSCGKSA-N 1 0 380.286 2.135 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc2c(cncc2Br)s1 ZINC000592551959 652600032 /nfs/dbraw/zinc/60/00/32/652600032.db2.gz PAONCNOXZJHSEB-LLVKDONJSA-N 1 0 398.282 2.036 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc(Br)cc(OC(C)C)c1 ZINC000592556079 652600362 /nfs/dbraw/zinc/60/03/62/652600362.db2.gz PZPOBAGHRZVTPE-HNNXBMFYSA-N 1 0 399.285 2.213 20 0 GEADRO CC[C@@H](NC(C)=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000633492462 652600482 /nfs/dbraw/zinc/60/04/82/652600482.db2.gz OBVUCMLJCWDDAH-CQSZACIVSA-N 1 0 399.333 2.300 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000592557304 652600446 /nfs/dbraw/zinc/60/04/46/652600446.db2.gz YZGSMOGMDGVJPC-IINYFYTJSA-N 1 0 375.252 2.124 20 0 GEADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667311492 652601110 /nfs/dbraw/zinc/60/11/10/652601110.db2.gz SZYDELOQIRDUIG-QMMMGPOBSA-N 1 0 392.656 2.296 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667374774 652603000 /nfs/dbraw/zinc/60/30/00/652603000.db2.gz OWWCVSIGTWLCKB-FZMZJTMJSA-N 1 0 391.273 2.246 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000667375939 652603007 /nfs/dbraw/zinc/60/30/07/652603007.db2.gz DPEJQZGNIMVDJC-JTQLQIEISA-N 1 0 381.274 2.491 20 0 GEADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000633656886 652605960 /nfs/dbraw/zinc/60/59/60/652605960.db2.gz CYDODWLUKYVBRF-GFCCVEGCSA-N 1 0 386.290 2.041 20 0 GEADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667455360 652606217 /nfs/dbraw/zinc/60/62/17/652606217.db2.gz OKNLMEWRYVGGFQ-WDEREUQCSA-N 1 0 375.416 2.488 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000667458441 652606279 /nfs/dbraw/zinc/60/62/79/652606279.db2.gz IUEIHJZFZQPOKR-YUMQZZPRSA-N 1 0 392.656 2.389 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1oc2ccccc2c1Br ZINC000633674934 652606332 /nfs/dbraw/zinc/60/63/32/652606332.db2.gz HQCCWCBLSHGPDE-LBPRGKRZSA-N 1 0 394.269 2.265 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3Cl)C[C@H]12 ZINC000667472746 652606973 /nfs/dbraw/zinc/60/69/73/652606973.db2.gz YPHUOPRXPMLRPU-UBHAPETDSA-N 1 0 386.677 2.237 20 0 GEADRO CN1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000667492198 652607792 /nfs/dbraw/zinc/60/77/92/652607792.db2.gz DGFUDLDEGHXXCP-ZWNOBZJWSA-N 1 0 382.789 2.367 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC1 ZINC000667513346 652609599 /nfs/dbraw/zinc/60/95/99/652609599.db2.gz PTQUYHKVPNYQRV-UHFFFAOYSA-N 1 0 391.269 2.276 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000667515236 652609677 /nfs/dbraw/zinc/60/96/77/652609677.db2.gz GWQAIWPQWASGJJ-UHFFFAOYSA-N 1 0 376.201 2.006 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000667515365 652609712 /nfs/dbraw/zinc/60/97/12/652609712.db2.gz RXMKARMUGZPTKB-UHFFFAOYSA-N 1 0 384.274 2.044 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1F ZINC000667517614 652609908 /nfs/dbraw/zinc/60/99/08/652609908.db2.gz XQFUADQGDQHLNK-CYBMUJFWSA-N 1 0 386.265 2.292 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c(F)cc1Br ZINC000667520625 652610211 /nfs/dbraw/zinc/61/02/11/652610211.db2.gz TXPQGUCEUNMGJQ-CQSZACIVSA-N 1 0 386.265 2.292 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000592962741 652610381 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390.228 2.252 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2c(F)ccc(C)c2Br)CC[C@@H]1[NH3+] ZINC000667548481 652612552 /nfs/dbraw/zinc/61/25/52/652612552.db2.gz NZYHQGDKJWDARM-JQWIXIFHSA-N 1 0 386.265 2.421 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)CC[C@H]1[NH3+] ZINC000667546825 652612576 /nfs/dbraw/zinc/61/25/76/652612576.db2.gz SEUIHDKXURUTGD-WCQYABFASA-N 1 0 398.301 2.290 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[C@@H]1[NH3+] ZINC000667546798 652612592 /nfs/dbraw/zinc/61/25/92/652612592.db2.gz RPFGNBZEFMGVFQ-ONGXEEELSA-N 1 0 375.803 2.466 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000667549959 652612924 /nfs/dbraw/zinc/61/29/24/652612924.db2.gz CAXNLOFUYBJJNN-WCQYABFASA-N 1 0 398.301 2.372 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000667550852 652612927 /nfs/dbraw/zinc/61/29/27/652612927.db2.gz VMXRYOUZZXZXQA-DGCLKSJQSA-N 1 0 398.301 2.372 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000667583868 652613938 /nfs/dbraw/zinc/61/39/38/652613938.db2.gz NPDIZOJNQBPWJZ-UWVGGRQHSA-N 1 0 381.757 2.456 20 0 GEADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667578695 652614013 /nfs/dbraw/zinc/61/40/13/652614013.db2.gz PDVYCOGDVUBECT-CQSZACIVSA-N 1 0 392.656 2.377 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000667585473 652614363 /nfs/dbraw/zinc/61/43/63/652614363.db2.gz DNSCPLUSAYWHMC-RYUDHWBXSA-N 1 0 386.265 2.163 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000667585630 652614387 /nfs/dbraw/zinc/61/43/87/652614387.db2.gz QJQJDSRYLHUZFB-WPRPVWTQSA-N 1 0 379.766 2.038 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Br)cc3c2OCCO3)n1 ZINC000667618461 652615463 /nfs/dbraw/zinc/61/54/63/652615463.db2.gz ZVGJUJNXKUHAJK-UHFFFAOYSA-N 1 0 395.257 2.231 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667637729 652616145 /nfs/dbraw/zinc/61/61/45/652616145.db2.gz BOTFSLYHDSDDSG-QWHCGFSZSA-N 1 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652630150 /nfs/dbraw/zinc/63/01/50/652630150.db2.gz WVWZCEOWGTXMAT-WCQYABFASA-N 1 0 379.309 2.429 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270731 652635557 /nfs/dbraw/zinc/63/55/57/652635557.db2.gz PEHBFGOQXPPGML-HOCLYGCPSA-N 1 0 398.345 2.350 20 0 GEADRO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3c(Br)cnn3C)C2)c1 ZINC000634274047 652636075 /nfs/dbraw/zinc/63/60/75/652636075.db2.gz HBHRGEPWIUHTIF-CQSZACIVSA-N 1 0 377.286 2.495 20 0 GEADRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)Nc1cccc(I)c1 ZINC000594003621 652636353 /nfs/dbraw/zinc/63/63/53/652636353.db2.gz GBFSKPBSFAEFLL-XDTLVQLUSA-N 1 0 388.249 2.367 20 0 GEADRO C[C@@H](C[NH3+])C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299417 652636701 /nfs/dbraw/zinc/63/67/01/652636701.db2.gz QTPOIQPAROAJOB-NSHDSACASA-N 1 0 383.290 2.156 20 0 GEADRO COC(=O)[C@]12C[N@H+](CC(=O)Nc3ccc(Br)cn3)C[C@H]1CCCC2 ZINC000594018721 652636742 /nfs/dbraw/zinc/63/67/42/652636742.db2.gz XISXGTQKFJQJLN-SJKOYZFVSA-N 1 0 396.285 2.448 20 0 GEADRO COCC[N@@H+]1CC[C@H](N2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000761253425 652638785 /nfs/dbraw/zinc/63/87/85/652638785.db2.gz ISKMSECJKVSTRD-SJCJKPOMSA-N 1 0 386.279 2.481 20 0 GEADRO O=C(NCC[NH2+]Cc1ccc2c(n1)CCC2)c1ccc(Br)cn1 ZINC000668460269 652643469 /nfs/dbraw/zinc/64/34/69/652643469.db2.gz VUHVXXDGERPKCO-UHFFFAOYSA-N 1 0 375.270 2.247 20 0 GEADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000668463775 652643569 /nfs/dbraw/zinc/64/35/69/652643569.db2.gz YRCHINQVSLUTPT-WQVCFCJDSA-N 1 0 382.302 2.380 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CCSC1 ZINC000668526648 652646005 /nfs/dbraw/zinc/64/60/05/652646005.db2.gz LOCGOMJPWLNMGR-INIZCTEOSA-N 1 0 390.336 2.163 20 0 GEADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccnc2c(Br)cccc12 ZINC000668557491 652647882 /nfs/dbraw/zinc/64/78/82/652647882.db2.gz JGLTYNKRNADETE-UHFFFAOYSA-N 1 0 393.329 2.449 20 0 GEADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000634658287 652648825 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CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000668640273 652655185 /nfs/dbraw/zinc/65/51/85/652655185.db2.gz QRIQGZZGRHRMEI-OAHLLOKOSA-N 1 0 398.320 2.415 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634703134 652655439 /nfs/dbraw/zinc/65/54/39/652655439.db2.gz QKBOLVPOPZTOGH-RHSMWYFYSA-N 1 0 385.302 2.198 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccccc2Br)CC1)CC1(O)CCOCC1 ZINC000634706038 652655968 /nfs/dbraw/zinc/65/59/68/652655968.db2.gz JVIBUHXWIWRKOT-CQSZACIVSA-N 1 0 384.314 2.363 20 0 GEADRO C[C@H](C[NH2+]C[C@H](O)CC1(O)CCOCC1)Oc1cccc(Br)c1 ZINC000634706351 652656009 /nfs/dbraw/zinc/65/60/09/652656009.db2.gz OFJXBLOELXMDCH-UKRRQHHQSA-N 1 0 388.302 2.099 20 0 GEADRO CCNC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634708175 652656020 /nfs/dbraw/zinc/65/60/20/652656020.db2.gz QZEOIFQZLCZBSW-UONOGXRCSA-N 1 0 376.284 2.127 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634707821 652656028 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GEADRO CC(C)C[C@@H](CNC(=O)c1cc(Br)ccc1-n1cnnn1)[NH+](C)C ZINC000668669827 652658213 /nfs/dbraw/zinc/65/82/13/652658213.db2.gz BIJZFPJSVBMPBL-ZDUSSCGKSA-N 1 0 395.305 2.131 20 0 GEADRO OCC[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000634721233 652658869 /nfs/dbraw/zinc/65/88/69/652658869.db2.gz VIXRTKKTPYJFIR-BBRMVZONSA-N 1 0 378.296 2.299 20 0 GEADRO C[C@](O)(C[C@@H](O)C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1)C1CC1 ZINC000634721004 652659065 /nfs/dbraw/zinc/65/90/65/652659065.db2.gz SJSVYZBPMPYKNY-OLMNPRSZSA-N 1 0 386.330 2.102 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000668676392 652659235 /nfs/dbraw/zinc/65/92/35/652659235.db2.gz QOHFGHGZEPSMFL-UHFFFAOYSA-N 1 0 388.737 2.399 20 0 GEADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000668672649 652659361 /nfs/dbraw/zinc/65/93/61/652659361.db2.gz WLDKMQURINEFFT-IUODEOHRSA-N 1 0 382.302 2.179 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2sccc2Br)C1 ZINC000668727209 652663821 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OCC[NH2+]C1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000635001710 652681417 /nfs/dbraw/zinc/68/14/17/652681417.db2.gz YWDQFHRFXMWFNP-UHFFFAOYSA-N 1 0 379.302 2.386 20 0 GEADRO O=C(NC[C@@H]1C[NH2+]CCO1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000669387001 652695566 /nfs/dbraw/zinc/69/55/66/652695566.db2.gz MSDVNWPNHMAMJW-KKZNHRDASA-N 1 0 377.329 2.184 20 0 GEADRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000594939046 652696977 /nfs/dbraw/zinc/69/69/77/652696977.db2.gz NWLAWLWNVZNCTJ-ADEWGFFLSA-N 1 0 379.400 2.396 20 0 GEADRO O=C(C[NH2+]Cc1cnn2c1CCC2)Nc1ccc(I)cc1 ZINC000594941126 652697717 /nfs/dbraw/zinc/69/77/17/652697717.db2.gz SATGCGNYMZCSNA-UHFFFAOYSA-N 1 0 396.232 2.162 20 0 GEADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(Br)cc2Cl)CCO1 ZINC000669418407 652697866 /nfs/dbraw/zinc/69/78/66/652697866.db2.gz RRDOYLCSNSEKIC-TVQRCGJNSA-N 1 0 376.682 2.360 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000669458278 652700785 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C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCCc2ccc(Br)cc2F)CCO1 ZINC000669487255 652702792 /nfs/dbraw/zinc/70/27/92/652702792.db2.gz KJIXYMLKNFSFHE-ABAIWWIYSA-N 1 0 388.281 2.278 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CCSc1ncnc2[nH]cnc21)c1ccsc1 ZINC000635240422 652703637 /nfs/dbraw/zinc/70/36/37/652703637.db2.gz NLRKUSSVDHMQDO-LBPRGKRZSA-N 1 0 376.511 2.316 20 0 GEADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000669535386 652705015 /nfs/dbraw/zinc/70/50/15/652705015.db2.gz KWDUGAANZLJGKX-WCQYABFASA-N 1 0 388.281 2.197 20 0 GEADRO C[C@H]([NH3+])CNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000669547631 652705309 /nfs/dbraw/zinc/70/53/09/652705309.db2.gz OUZHUIFHFMSICB-QMMMGPOBSA-N 1 0 384.196 2.493 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000669547630 652705600 /nfs/dbraw/zinc/70/56/00/652705600.db2.gz OUZHUIFHFMSICB-MRVPVSSYSA-N 1 0 384.196 2.493 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595125780 652706280 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[NH3+][C@@H]1CN(C(=O)Nc2ccc(I)cc2F)CC[C@H]1F ZINC000595237047 652709555 /nfs/dbraw/zinc/70/95/55/652709555.db2.gz UWGRBLZXAXUWQO-PSASIEDQSA-N 1 0 381.164 2.333 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595241623 652709601 /nfs/dbraw/zinc/70/96/01/652709601.db2.gz DSOUCGNRTFLQES-GFCCVEGCSA-N 1 0 390.267 2.208 20 0 GEADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]([NH3+])COC(C)C ZINC000595251231 652709900 /nfs/dbraw/zinc/70/99/00/652709900.db2.gz ZYVPSDXMHCYRGF-LSDHHAIUSA-N 1 0 391.295 2.336 20 0 GEADRO CN(CC(C)(C)[NH3+])C(=O)NCCOc1ccc(I)cc1 ZINC000595263741 652712466 /nfs/dbraw/zinc/71/24/66/652712466.db2.gz ZHFFARPFTGHFNE-UHFFFAOYSA-N 1 0 391.253 2.049 20 0 GEADRO O=C(C[NH2+][C@@H]1CCOc2c(Br)cccc21)N1CCOC[C@@H]1C1CC1 ZINC000669694307 652714477 /nfs/dbraw/zinc/71/44/77/652714477.db2.gz ZITWTDCJFRBTMP-HZPDHXFCSA-N 1 0 395.297 2.500 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(Br)ncc1F ZINC000762734499 652716111 /nfs/dbraw/zinc/71/61/11/652716111.db2.gz LTWASBKMRQDHQD-SECBINFHSA-N 1 0 380.283 2.058 20 0 GEADRO O=S(=O)(NCC[NH2+]Cc1[nH]nc2ccccc21)c1ccc(F)cc1Cl ZINC000669832712 652720431 /nfs/dbraw/zinc/72/04/31/652720431.db2.gz GNHVZWIOKCXHGR-UHFFFAOYSA-N 1 0 382.848 2.424 20 0 GEADRO Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000669847326 652722579 /nfs/dbraw/zinc/72/25/79/652722579.db2.gz LBNHEBCHRPQAHQ-MJGOQNOKSA-N 1 0 394.357 2.433 20 0 GEADRO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1C[C@H](O)C[N@H+](C)C(C)C ZINC000595524783 652732806 /nfs/dbraw/zinc/73/28/06/652732806.db2.gz MXQAILKWPQDOBH-PBHICJAKSA-N 1 0 399.329 2.050 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc(I)cc1 ZINC000595545201 652733802 /nfs/dbraw/zinc/73/38/02/652733802.db2.gz DUIOQIPKVCUUJM-CQSZACIVSA-N 1 0 387.265 2.227 20 0 GEADRO O=C(C[N@@H+]1CC[C@@H]2COC[C@H]2C1)Nc1cccc(I)c1 ZINC000595831324 652738053 /nfs/dbraw/zinc/73/80/53/652738053.db2.gz NUZRRMQZIPMEIF-VXGBXAGGSA-N 1 0 386.233 2.198 20 0 GEADRO [NH3+][C@@H](CC(F)F)C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595951110 652742512 /nfs/dbraw/zinc/74/25/12/652742512.db2.gz XQJGGRMWDSPIRL-LURJTMIESA-N 1 0 380.136 2.089 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)COc1ccc(I)cc1 ZINC000595952002 652742850 /nfs/dbraw/zinc/74/28/50/652742850.db2.gz VMMCQCALLSBFRE-CYBMUJFWSA-N 1 0 376.238 2.160 20 0 GEADRO CCOC(=O)c1sc([C@@H](C)NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)nc1C ZINC000595954913 652743033 /nfs/dbraw/zinc/74/30/33/652743033.db2.gz GGPOJSSQEOSYTF-OTYXRUKQSA-N 1 0 379.404 2.347 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc2c(ccc(Br)c2C)[nH]1 ZINC000595952138 652743043 /nfs/dbraw/zinc/74/30/43/652743043.db2.gz XTNYMMLNVGIEIT-HNNXBMFYSA-N 1 0 394.269 2.216 20 0 GEADRO C[NH+](C)C1CC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000670402682 652745711 /nfs/dbraw/zinc/74/57/11/652745711.db2.gz KEMNQJXZOQWZGZ-PNESKVBLSA-N 1 0 380.286 2.011 20 0 GEADRO C[C@@]1(NC(=O)CCC(=O)c2ccc(I)cc2)CC[NH2+]C1 ZINC000595991396 652745955 /nfs/dbraw/zinc/74/59/55/652745955.db2.gz IDPDMHJKGDPFFB-OAHLLOKOSA-N 1 0 386.233 2.122 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000670572410 652752313 /nfs/dbraw/zinc/75/23/13/652752313.db2.gz OBRJLNNMCMNMGS-OLZOCXBDSA-N 1 0 396.329 2.473 20 0 GEADRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000763381700 652754559 /nfs/dbraw/zinc/75/45/59/652754559.db2.gz FCSMYUSMASQTKI-AWEZNQCLSA-N 1 0 398.301 2.432 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(Br)c1 ZINC000763385307 652755289 /nfs/dbraw/zinc/75/52/89/652755289.db2.gz XUMLGBYSKJEBNO-LSDHHAIUSA-N 1 0 383.286 2.293 20 0 GEADRO C[C@]1(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCS1 ZINC000670625956 652759143 /nfs/dbraw/zinc/75/91/43/652759143.db2.gz QKBFKPSWUJXINL-KBXCAEBGSA-N 1 0 381.567 2.403 20 0 GEADRO O=C(NCCSc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670677745 652759948 /nfs/dbraw/zinc/75/99/48/652759948.db2.gz WGMYTGOWLHCZOJ-HNNXBMFYSA-N 1 0 381.929 2.149 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000670677768 652760345 /nfs/dbraw/zinc/76/03/45/652760345.db2.gz CNFNVPSCBTVUQQ-HNNXBMFYSA-N 1 0 383.945 2.491 20 0 GEADRO C[C@H](NC(=O)C(=O)NCCSc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000670678046 652760397 /nfs/dbraw/zinc/76/03/97/652760397.db2.gz NJYYRHGNAUOFLR-ZDUSSCGKSA-N 1 0 383.945 2.395 20 0 GEADRO Cc1cnc(NCCN(C)CCC[NH+](C)C)c(I)c1 ZINC000596423832 652762110 /nfs/dbraw/zinc/76/21/10/652762110.db2.gz CXQZNIJPJKSJIB-UHFFFAOYSA-N 1 0 376.286 2.290 20 0 GEADRO O=C(c1ccc2c[nH+]cn2c1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000670815933 652764161 /nfs/dbraw/zinc/76/41/61/652764161.db2.gz PIOUISRYNQWAGZ-INIZCTEOSA-N 1 0 399.248 2.410 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000670984921 652774012 /nfs/dbraw/zinc/77/40/12/652774012.db2.gz LFVMFSFDTVXOOB-CQSZACIVSA-N 1 0 396.329 2.256 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000670984920 652774214 /nfs/dbraw/zinc/77/42/14/652774214.db2.gz 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MBGGKUSOKCPZSF-UHFFFAOYSA-N 1 0 387.274 2.094 20 0 GEADRO Cc1c(Br)c2ccccc2n1CC(=O)NCC1([NH3+])CCOCC1 ZINC000638542277 652893474 /nfs/dbraw/zinc/89/34/74/652893474.db2.gz ZIUGOVYIQZDIHK-UHFFFAOYSA-N 1 0 380.286 2.336 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000638548260 652893970 /nfs/dbraw/zinc/89/39/70/652893970.db2.gz MEUDBNGXIYMSHF-MFKMUULPSA-N 1 0 398.834 2.099 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000638559306 652894232 /nfs/dbraw/zinc/89/42/32/652894232.db2.gz PQDIHUCJJBKEJP-AAEUAGOBSA-N 1 0 377.794 2.056 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(Br)cn2)CC[C@@H]1C(F)(F)F ZINC000638561468 652894772 /nfs/dbraw/zinc/89/47/72/652894772.db2.gz GYKQEPHUHBNAOX-ONGXEEELSA-N 1 0 396.207 2.209 20 0 GEADRO COc1ncc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Br ZINC000638560471 652894800 /nfs/dbraw/zinc/89/48/00/652894800.db2.gz WLCQDMHVGWSPTF-VHSXEESVSA-N 1 0 396.207 2.452 20 0 GEADRO COc1ncc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Br ZINC000638560469 652894890 /nfs/dbraw/zinc/89/48/90/652894890.db2.gz WLCQDMHVGWSPTF-UWVGGRQHSA-N 1 0 396.207 2.452 20 0 GEADRO COc1ncc(Br)cc1CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000638561949 652894899 /nfs/dbraw/zinc/89/48/99/652894899.db2.gz VSQABMIWEBEDRN-HNNXBMFYSA-N 1 0 376.254 2.356 20 0 GEADRO O=S(=O)(c1ccc(C[NH2+]CC2CCSCC2)s1)N1CCOCC1 ZINC000638564443 652895394 /nfs/dbraw/zinc/89/53/94/652895394.db2.gz VCVZSCDFRHNIJN-UHFFFAOYSA-N 1 0 376.569 2.002 20 0 GEADRO COC1CC[NH+](CCNS(=O)(=O)N(CCC(C)C)CCC(C)C)CC1 ZINC000674333780 652895496 /nfs/dbraw/zinc/89/54/96/652895496.db2.gz JORKYHSAMDYQBD-UHFFFAOYSA-N 1 0 377.595 2.326 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000674346021 652895817 /nfs/dbraw/zinc/89/58/17/652895817.db2.gz GFGIOXFASDJFJP-CYBMUJFWSA-N 1 0 385.917 2.377 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000638592184 652896366 /nfs/dbraw/zinc/89/63/66/652896366.db2.gz ALIRDHYTQILOQG-UHFFFAOYSA-N 1 0 382.258 2.412 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(N3CCSCC3)CCCCC2)cc1 ZINC000638594577 652896737 /nfs/dbraw/zinc/89/67/37/652896737.db2.gz JORZNVNFMCKSEK-UHFFFAOYSA-N 1 0 383.583 2.175 20 0 GEADRO CO[C@]1(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)CCOC1 ZINC000638594031 652896888 /nfs/dbraw/zinc/89/68/88/652896888.db2.gz BZJRDBQDKBFGPE-KRWDZBQOSA-N 1 0 385.302 2.193 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638596179 652897181 /nfs/dbraw/zinc/89/71/81/652897181.db2.gz MSLHTXAGUKKUJP-HUUCEWRRSA-N 1 0 392.297 2.060 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000638596617 652897748 /nfs/dbraw/zinc/89/77/48/652897748.db2.gz RNLXOCKPRZFUPJ-UXIGCNINSA-N 1 0 380.286 2.188 20 0 GEADRO [NH3+]CCn1cc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)nn1 ZINC000638599218 652897953 /nfs/dbraw/zinc/89/79/53/652897953.db2.gz ZVSCZAZABANBBI-UHFFFAOYSA-N 1 0 376.258 2.081 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638597544 652897962 /nfs/dbraw/zinc/89/79/62/652897962.db2.gz ZKMTUPIOCYBARO-CQSZACIVSA-N 1 0 382.302 2.056 20 0 GEADRO CO[C@@H](C[NH2+]CCNC(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000638598939 652898010 /nfs/dbraw/zinc/89/80/10/652898010.db2.gz UUNKDGINHURALQ-INIZCTEOSA-N 1 0 385.302 2.210 20 0 GEADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)NC[C@@H]1COCC[NH2+]1 ZINC000638616802 652898569 /nfs/dbraw/zinc/89/85/69/652898569.db2.gz AILSMQMZHPOSNG-CQSZACIVSA-N 1 0 396.310 2.220 20 0 GEADRO Cc1cc(Br)c(C(=O)NC[C@@H]2COCC[NH2+]2)cc1Br ZINC000638611881 652898604 /nfs/dbraw/zinc/89/86/04/652898604.db2.gz JYAHRQTUDZOZGF-SECBINFHSA-N 1 0 392.091 2.238 20 0 GEADRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(COc2cccc(Br)c2)o1 ZINC000638621487 652899239 /nfs/dbraw/zinc/89/92/39/652899239.db2.gz PVGSQBSGYFYOLF-CYBMUJFWSA-N 1 0 395.253 2.339 20 0 GEADRO O=C(NC[C@H]1COCC[NH2+]1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000638619580 652899273 /nfs/dbraw/zinc/89/92/73/652899273.db2.gz TXPABPAMBRVTJM-AWEZNQCLSA-N 1 0 392.253 2.355 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638637637 652900332 /nfs/dbraw/zinc/90/03/32/652900332.db2.gz UMLOWTCYMJDCDS-SMDDNHRTSA-N 1 0 380.290 2.228 20 0 GEADRO Cc1c(C(=O)NCCOCCC[NH3+])cnn1-c1ccc(Br)cc1 ZINC000638658124 652901301 /nfs/dbraw/zinc/90/13/01/652901301.db2.gz RSVUJNKNACIWJQ-UHFFFAOYSA-N 1 0 381.274 2.038 20 0 GEADRO CC(C)(CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000638690489 652902505 /nfs/dbraw/zinc/90/25/05/652902505.db2.gz WBAKCPTXOVXLMS-SFHVURJKSA-N 1 0 396.329 2.388 20 0 GEADRO COc1nsc(CNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1Br ZINC000638751648 652906137 /nfs/dbraw/zinc/90/61/37/652906137.db2.gz RUTSSYLAZPMHKW-NWDGAFQWSA-N 1 0 390.347 2.382 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638821479 652907366 /nfs/dbraw/zinc/90/73/66/652907366.db2.gz WBJSHRJADBCAEH-MNOVXSKESA-N 1 0 388.331 2.359 20 0 GEADRO O=C(N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000638833231 652908390 /nfs/dbraw/zinc/90/83/90/652908390.db2.gz XBJGEYVJHFRAHZ-WCGUDMRISA-N 1 0 389.293 2.018 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767080716 652911728 /nfs/dbraw/zinc/91/17/28/652911728.db2.gz ISOHUYRFLCMKTL-CQSZACIVSA-N 1 0 377.551 2.036 20 0 GEADRO O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(c2ccc(Br)cc2)CCOCC1 ZINC000638922912 652913810 /nfs/dbraw/zinc/91/38/10/652913810.db2.gz LOPAUIJOFFQVLI-IYBDPMFKSA-N 1 0 379.298 2.460 20 0 GEADRO CC(C)c1[nH]nc(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)c1Br ZINC000638987910 652915618 /nfs/dbraw/zinc/91/56/18/652915618.db2.gz NIFRWFSLHKKSNL-UHFFFAOYSA-N 1 0 393.289 2.353 20 0 GEADRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000639019302 652916199 /nfs/dbraw/zinc/91/61/99/652916199.db2.gz AAJYINDNLKARJB-ZDUSSCGKSA-N 1 0 378.881 2.278 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)s1 ZINC000639065386 652919062 /nfs/dbraw/zinc/91/90/62/652919062.db2.gz HVFMFQKGALBIDP-UHFFFAOYSA-N 1 0 395.428 2.064 20 0 GEADRO CO[C@@]1(C[N@H+](CCNC(C)=O)Cc2ccc(Br)s2)CCOC1 ZINC000639139087 652922135 /nfs/dbraw/zinc/92/21/35/652922135.db2.gz FEZPIQZHYJWDCH-OAHLLOKOSA-N 1 0 391.331 2.254 20 0 GEADRO Brc1cnc2c(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)cnn2c1 ZINC000639138846 652922145 /nfs/dbraw/zinc/92/21/45/652922145.db2.gz GONNGJRWMIKRJF-AWEZNQCLSA-N 1 0 394.317 2.036 20 0 GEADRO O[C@H]1[C@H](C[NH2+]Cc2cnn3cc(Br)cnc23)CCC12CCOCC2 ZINC000639142523 652922283 /nfs/dbraw/zinc/92/22/83/652922283.db2.gz DMROTCITGMEQFK-WFASDCNBSA-N 1 0 395.301 2.149 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000767430242 652925008 /nfs/dbraw/zinc/92/50/08/652925008.db2.gz QCGKASGHDVHVMT-COPLHBTASA-N 1 0 375.922 2.250 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000767430249 652925227 /nfs/dbraw/zinc/92/52/27/652925227.db2.gz QCGKASGHDVHVMT-XCCSTKFXSA-N 1 0 375.922 2.250 20 0 GEADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCCc2cccc(Br)c2)CC1 ZINC000675439951 652926289 /nfs/dbraw/zinc/92/62/89/652926289.db2.gz LJUQOPFKOBRHON-UHFFFAOYSA-N 1 0 396.329 2.004 20 0 GEADRO C[N@H+](Cc1ccc(S(N)(=O)=O)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000639241635 652927359 /nfs/dbraw/zinc/92/73/59/652927359.db2.gz GWEAXEZHUKEVBX-UHFFFAOYSA-N 1 0 379.448 2.183 20 0 GEADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)CCO1 ZINC000639243097 652928019 /nfs/dbraw/zinc/92/80/19/652928019.db2.gz USULYQIHFJVUCZ-UONOGXRCSA-N 1 0 391.273 2.235 20 0 GEADRO CC(C)(C[NH2+]Cc1cnn2cc(Br)cnc12)C1(O)CCOCC1 ZINC000639270420 652929262 /nfs/dbraw/zinc/92/92/62/652929262.db2.gz GOUZCKDTZGCSTH-UHFFFAOYSA-N 1 0 383.290 2.149 20 0 GEADRO C[N@H+](Cc1cnn2cc(Br)cnc12)C(C)(C)CN1CCOCC1 ZINC000639270715 652929389 /nfs/dbraw/zinc/92/93/89/652929389.db2.gz BATBRJAJLBJGJN-UHFFFAOYSA-N 1 0 382.306 2.034 20 0 GEADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1nc2cc(Br)ccc2o1 ZINC000639285223 652930355 /nfs/dbraw/zinc/93/03/55/652930355.db2.gz KCFUIBLYTCDUSE-LLVKDONJSA-N 1 0 381.274 2.142 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)o1 ZINC000639308639 652931818 /nfs/dbraw/zinc/93/18/18/652931818.db2.gz HMECPLABPOJYCT-QGZVFWFLSA-N 1 0 384.885 2.462 20 0 GEADRO C[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)N1C[C@@H](C)O[C@@H](C)C1 ZINC000639313528 652931875 /nfs/dbraw/zinc/93/18/75/652931875.db2.gz WZFAEKKJJDMBIN-RWMBFGLXSA-N 1 0 382.306 2.079 20 0 GEADRO FC(F)(F)c1ccn(CC[NH2+]Cc2cnn3cc(Br)cnc23)n1 ZINC000639398072 652936573 /nfs/dbraw/zinc/93/65/73/652936573.db2.gz NIZOSVPNLAGTMT-UHFFFAOYSA-N 1 0 389.179 2.497 20 0 GEADRO Cc1ncc(CNC(=O)CC[NH+]2CCN(c3ccc(Cl)cn3)CC2)s1 ZINC000639459647 652937745 /nfs/dbraw/zinc/93/77/45/652937745.db2.gz AWYBSUBYRXRQES-UHFFFAOYSA-N 1 0 379.917 2.328 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639505400 652939322 /nfs/dbraw/zinc/93/93/22/652939322.db2.gz NLQDJVFHWBQAPP-JKSUJKDBSA-N 1 0 377.312 2.122 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000675757497 652939950 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GEADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000601146182 652956314 /nfs/dbraw/zinc/95/63/14/652956314.db2.gz AKTKQLGKSOIGDH-BQBZGAKWSA-N 1 0 383.695 2.320 20 0 GEADRO Nc1nnc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)o1 ZINC000639825377 653085760 /nfs/dbraw/zinc/08/57/60/653085760.db2.gz OSYWMUXWPWMHCG-ZYHUDNBSSA-N 1 0 387.267 2.578 20 0 GEADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601328709 653086632 /nfs/dbraw/zinc/08/66/32/653086632.db2.gz WPOKBSWSWHYXHG-UHFFFAOYSA-N 1 0 382.429 2.111 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)c1F ZINC000601345430 653087749 /nfs/dbraw/zinc/08/77/49/653087749.db2.gz SPKZUOKNOJLOFT-NSHDSACASA-N 1 0 378.853 2.158 20 0 GEADRO COC(=O)C1(CS(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000601356029 653088147 /nfs/dbraw/zinc/08/81/47/653088147.db2.gz DWATUHKWWVGTOU-HIFRSBDPSA-N 1 0 386.539 2.004 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2cscc2Br)C[C@H]1[NH+](C)C ZINC000601380645 653089870 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C[NH2+]Cc1cn(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)nn1 ZINC000640894949 653144662 /nfs/dbraw/zinc/14/46/62/653144662.db2.gz DMFJTXNJFAILON-UHFFFAOYSA-N 1 0 392.179 2.418 20 0 GEADRO C[C@@H](C(=O)Nc1ccccc1Br)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640900752 653145541 /nfs/dbraw/zinc/14/55/41/653145541.db2.gz BTSAHTWMGYABPX-RYUDHWBXSA-N 1 0 378.274 2.392 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640900750 653145633 /nfs/dbraw/zinc/14/56/33/653145633.db2.gz BTSAHTWMGYABPX-NEPJUHHUSA-N 1 0 378.274 2.392 20 0 GEADRO C[N@@H+]1CC[C@H](CC(=O)NCCc2ccc(I)s2)C1 ZINC000602091124 653146686 /nfs/dbraw/zinc/14/66/86/653146686.db2.gz VYXLMJSSTVNCGU-SNVBAGLBSA-N 1 0 378.279 2.353 20 0 GEADRO COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H](C)[NH+](C)C ZINC000602108609 653147797 /nfs/dbraw/zinc/14/77/97/653147797.db2.gz QSDALQSGNBBJBJ-BMIGLBTASA-N 1 0 396.285 2.081 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602133116 653149496 /nfs/dbraw/zinc/14/94/96/653149496.db2.gz NSWQBAXAKNSJKP-LRDDRELGSA-N 1 0 383.286 2.463 20 0 GEADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000641027494 653151193 /nfs/dbraw/zinc/15/11/93/653151193.db2.gz WAMKLTKRZFZVAK-KRWDZBQOSA-N 1 0 395.345 2.418 20 0 GEADRO O=C(c1ccc2[nH]cc(I)c2c1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000602155299 653152118 /nfs/dbraw/zinc/15/21/18/653152118.db2.gz NAGDVECUGMLDNO-NSHDSACASA-N 1 0 381.217 2.303 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000602155439 653152188 /nfs/dbraw/zinc/15/21/88/653152188.db2.gz MLXWSMCSBMBSCL-CWRNSKLLSA-N 1 0 397.313 2.274 20 0 GEADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2ccccc2Br)C1 ZINC000602155741 653152289 /nfs/dbraw/zinc/15/22/89/653152289.db2.gz IUNVPJGKIYWOOT-UONOGXRCSA-N 1 0 385.302 2.443 20 0 GEADRO Cn1c(Cl)ncc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000769405032 653153388 /nfs/dbraw/zinc/15/33/88/653153388.db2.gz OJSRSWIQBFXPFX-HNNXBMFYSA-N 1 0 382.917 2.264 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+](CCO)CCCO ZINC000679820730 653153471 /nfs/dbraw/zinc/15/34/71/653153471.db2.gz YJIMOROFNPRJES-UHFFFAOYSA-N 1 0 387.318 2.461 20 0 GEADRO [NH3+]CCOCc1cn(Cc2ncc(-c3cccc(Br)c3)o2)nn1 ZINC000641072374 653154695 /nfs/dbraw/zinc/15/46/95/653154695.db2.gz HDKKGABIRMTTEG-UHFFFAOYSA-N 1 0 378.230 2.219 20 0 GEADRO CC[NH+](CC)CCCC1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1 ZINC000679870243 653156659 /nfs/dbraw/zinc/15/66/59/653156659.db2.gz DPZRFRWTFDGRQU-UHFFFAOYSA-N 1 0 375.579 2.353 20 0 GEADRO [NH3+]CCOCc1cn(Cc2ccnc(-c3ccc(Br)cc3)n2)nn1 ZINC000641112235 653158014 /nfs/dbraw/zinc/15/80/14/653158014.db2.gz KXLXOBKEOAPPCD-UHFFFAOYSA-N 1 0 389.257 2.021 20 0 GEADRO Cc1c(Br)cccc1Cn1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000641118264 653158624 /nfs/dbraw/zinc/15/86/24/653158624.db2.gz JRHHYDFJPXBLML-UHFFFAOYSA-N 1 0 392.301 2.013 20 0 GEADRO Clc1ccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)cc1Br ZINC000641124559 653159813 /nfs/dbraw/zinc/15/98/13/653159813.db2.gz BVPNBQUWFUNXCG-UHFFFAOYSA-N 1 0 384.709 2.190 20 0 GEADRO CC(C)[C@H](CNC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)[NH+]1CCN(C)CC1 ZINC000806361270 653160492 /nfs/dbraw/zinc/16/04/92/653160492.db2.gz MEICLHQHQQAXGI-YQQAZPJKSA-N 1 0 391.387 2.484 20 0 GEADRO C[C@H](CNC(=O)c1nn(C)cc1I)[N@@H+]1CCCC[C@@H]1C ZINC000602241379 653161118 /nfs/dbraw/zinc/16/11/18/653161118.db2.gz DNHWLKRXDCYFJQ-WDEREUQCSA-N 1 0 390.269 2.017 20 0 GEADRO [NH3+][C@H](c1cn(Cc2nnc3n2CCCC3)nn1)c1ccc(Br)cc1 ZINC000641164792 653164497 /nfs/dbraw/zinc/16/44/97/653164497.db2.gz PSOMPNMMHAWDHD-INIZCTEOSA-N 1 0 388.273 2.065 20 0 GEADRO COc1ncc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)c(C)n1 ZINC000641175445 653166020 /nfs/dbraw/zinc/16/60/20/653166020.db2.gz SAHIGTKESQNAML-HNNXBMFYSA-N 1 0 389.257 2.244 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000641173810 653166089 /nfs/dbraw/zinc/16/60/89/653166089.db2.gz BTESEWUGZYPGJJ-UHFFFAOYSA-N 1 0 378.274 2.090 20 0 GEADRO Cn1nc(C2CC2)nc1Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641176384 653166684 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2.402 20 0 GEADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000769682634 653170625 /nfs/dbraw/zinc/17/06/25/653170625.db2.gz AFGAVKOLDFWKOT-KGLIPLIRSA-N 1 0 377.551 2.082 20 0 GEADRO C[C@H](CNC(=O)c1nccn2c(Br)cnc12)[N@@H+]1CCC[C@H](C)C1 ZINC000769690279 653170935 /nfs/dbraw/zinc/17/09/35/653170935.db2.gz OYBKADYKOUYOAY-NWDGAFQWSA-N 1 0 380.290 2.342 20 0 GEADRO CC1CC[NH+]([C@H](CNS(=O)(=O)CCn2ccnc2)c2cccs2)CC1 ZINC000641255714 653173041 /nfs/dbraw/zinc/17/30/41/653173041.db2.gz IXTGEXZQZKEAEI-MRXNPFEDSA-N 1 0 382.555 2.337 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000773034382 653176614 /nfs/dbraw/zinc/17/66/14/653176614.db2.gz ATPUAAJHLRZMMU-BONVTDFDSA-N 1 0 381.325 2.429 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O)ccc1S(=O)(=O)C(F)F ZINC000773064024 653178814 /nfs/dbraw/zinc/17/88/14/653178814.db2.gz LTFUOMZKFPHOOM-GEDWGEIESA-N 1 0 383.482 2.499 20 0 GEADRO C[S@@](=O)C1(C(=O)NCCc2nc3cc(Cl)ccc3s2)CC[NH2+]CC1 ZINC000602441538 653180956 /nfs/dbraw/zinc/18/09/56/653180956.db2.gz OXPBNQRZQFXXRU-XMMPIXPASA-N 1 0 385.942 2.109 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602441385 653181152 /nfs/dbraw/zinc/18/11/52/653181152.db2.gz DUEGFXBFAFVFMO-QFIPXVFZSA-N 1 0 387.343 2.298 20 0 GEADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)c1ccc[nH]1 ZINC000773124305 653182356 /nfs/dbraw/zinc/18/23/56/653182356.db2.gz XGDJTIRTOGDWEV-QWHCGFSZSA-N 1 0 385.511 2.152 20 0 GEADRO CN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000641317175 653185823 /nfs/dbraw/zinc/18/58/23/653185823.db2.gz ASYJIBMZAZHBBC-HUUCEWRRSA-N 1 0 385.917 2.327 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000602494408 653186125 /nfs/dbraw/zinc/18/61/25/653186125.db2.gz UCNCWKRJEZBEEZ-RVKKMQEKSA-N 1 0 395.297 2.090 20 0 GEADRO O=C(NCC[NH2+]Cc1ccc(I)s1)c1ccco1 ZINC000602507663 653187268 /nfs/dbraw/zinc/18/72/68/653187268.db2.gz QEMLJEPJHVEVQA-UHFFFAOYSA-N 1 0 376.219 2.465 20 0 GEADRO CC[NH2+][C@@H](C)C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000602514170 653187668 /nfs/dbraw/zinc/18/76/68/653187668.db2.gz HZQIOXZODWJNMJ-GLQYFDAESA-N 1 0 383.286 2.162 20 0 GEADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cc4cc(Br)ccc4s3)CCN2C1=O ZINC000602528681 653188088 /nfs/dbraw/zinc/18/80/88/653188088.db2.gz SQWNYGYATQMSJC-NEPJUHHUSA-N 1 0 394.294 2.048 20 0 GEADRO C[S@](=O)C1(C(=O)NCC/C=C\c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000602530180 653188351 /nfs/dbraw/zinc/18/83/51/653188351.db2.gz FCFZIZFQWFIQMA-CKLPYQKHSA-N 1 0 399.354 2.469 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000602530299 653188462 /nfs/dbraw/zinc/18/84/62/653188462.db2.gz YONCXJHQWGXAJK-MADCSZMMSA-N 1 0 379.201 2.185 20 0 GEADRO CCN(CC[NH3+])C(=O)c1ccc(Br)cc1I ZINC000602536126 653188966 /nfs/dbraw/zinc/18/89/66/653188966.db2.gz YXJOCYFVQKXJOB-UHFFFAOYSA-N 1 0 397.054 2.475 20 0 GEADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cn(C)c(Cl)n1 ZINC000769909123 653189037 /nfs/dbraw/zinc/18/90/37/653189037.db2.gz SYKDPEZRRTUWFQ-UKRRQHHQSA-N 1 0 382.917 2.262 20 0 GEADRO C[S@@](=O)C1(C(=O)N2CC3(CC3)c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000602537838 653189603 /nfs/dbraw/zinc/18/96/03/653189603.db2.gz BETUQMRDRMEDRI-HSZRJFAPSA-N 1 0 397.338 2.328 20 0 GEADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000602538421 653189625 /nfs/dbraw/zinc/18/96/25/653189625.db2.gz CCHZQDHGZDURGG-ZIAGYGMSSA-N 1 0 399.285 2.402 20 0 GEADRO COC(=O)[C@]1(NC(=O)CCCC[NH3+])CCc2cc(Br)ccc2C1 ZINC000602543932 653189701 /nfs/dbraw/zinc/18/97/01/653189701.db2.gz MXCGOVSUNBXLPG-KRWDZBQOSA-N 1 0 383.286 2.095 20 0 GEADRO O=c1oc2cc(Br)c(F)cc2n1CN1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000773304221 653191859 /nfs/dbraw/zinc/19/18/59/653191859.db2.gz YVEQODTYCVXFOU-LLVKDONJSA-N 1 0 382.233 2.400 20 0 GEADRO CN(Cc1ccc(Br)cc1F)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602576894 653192084 /nfs/dbraw/zinc/19/20/84/653192084.db2.gz CYHUHERSJIZDHR-QFIPXVFZSA-N 1 0 391.306 2.047 20 0 GEADRO C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2I)C[C@H]1C[NH3+] ZINC000602593850 653192885 /nfs/dbraw/zinc/19/28/85/653192885.db2.gz NYCVGFOFBXLLKR-HTQZYQBOSA-N 1 0 380.176 2.236 20 0 GEADRO COc1cnc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(Br)c1 ZINC000641364830 653193000 /nfs/dbraw/zinc/19/30/00/653193000.db2.gz YOLWQOKBPMASQD-AWEZNQCLSA-N 1 0 383.334 2.459 20 0 GEADRO COc1cnc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c(Br)c1 ZINC000641366412 653193107 /nfs/dbraw/zinc/19/31/07/653193107.db2.gz XUAUCYWPEMVSLS-UHFFFAOYSA-N 1 0 385.306 2.207 20 0 GEADRO [NH3+][C@H]1CC[C@H](NC(=O)c2[nH]nc3ccc(I)cc32)CC1 ZINC000602605243 653193906 /nfs/dbraw/zinc/19/39/06/653193906.db2.gz WDMLAFYDVQYVNN-MGCOHNPYSA-N 1 0 384.221 2.167 20 0 GEADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000602598433 653194048 /nfs/dbraw/zinc/19/40/48/653194048.db2.gz YSTZVBZOLZHQHG-ZJUUUORDSA-N 1 0 378.523 2.067 20 0 GEADRO Ic1ccc(C[NH2+]CC2(N3CCOCC3)CC2)s1 ZINC000602634176 653196650 /nfs/dbraw/zinc/19/66/50/653196650.db2.gz PMCFSJUNBUSWGP-UHFFFAOYSA-N 1 0 378.279 2.307 20 0 GEADRO FC(F)(F)c1ncnc(N2CC[C@H](CN3CCOCC3)C2)c1Br ZINC000641398208 653198611 /nfs/dbraw/zinc/19/86/11/653198611.db2.gz DETYYPFCMRICEP-SNVBAGLBSA-N 1 0 395.223 2.416 20 0 GEADRO OCCCN1CCC[C@H]1C[NH2+]Cc1ccc(I)s1 ZINC000602673740 653199363 /nfs/dbraw/zinc/19/93/63/653199363.db2.gz MVFMRSVVUPCIEH-NSHDSACASA-N 1 0 380.295 2.289 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1c(O)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000770122039 653199520 /nfs/dbraw/zinc/19/95/20/653199520.db2.gz QBHATAUYCQOFJX-CYBMUJFWSA-N 1 0 388.917 2.017 20 0 GEADRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C ZINC000602710553 653201812 /nfs/dbraw/zinc/20/18/12/653201812.db2.gz NDCOCVNYZLHHDF-CQSZACIVSA-N 1 0 376.906 2.443 20 0 GEADRO C[NH+](C)C1(CNC(=O)c2cnc3ncc(Br)cc3c2)CCOCC1 ZINC000681995171 653201820 /nfs/dbraw/zinc/20/18/20/653201820.db2.gz DMOAQWSIYPOFHX-UHFFFAOYSA-N 1 0 393.285 2.233 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000682029755 653203684 /nfs/dbraw/zinc/20/36/84/653203684.db2.gz VLWWYXCKKFUENZ-INIZCTEOSA-N 1 0 397.313 2.411 20 0 GEADRO CC1(C)CN(Cc2nnc(-c3ccccc3Br)o2)CC[N@@H+]1CCO ZINC000682036021 653204747 /nfs/dbraw/zinc/20/47/47/653204747.db2.gz HRAWLDQEKKEHNV-UHFFFAOYSA-N 1 0 395.301 2.388 20 0 GEADRO C[C@@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000641439416 653206155 /nfs/dbraw/zinc/20/61/55/653206155.db2.gz GKRXGVFGRUOZQZ-LLVKDONJSA-N 1 0 383.290 2.156 20 0 GEADRO C[NH+](C)C1CCN(CCNc2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641445349 653206908 /nfs/dbraw/zinc/20/69/08/653206908.db2.gz VTBNCQKDORFAAT-UHFFFAOYSA-N 1 0 396.255 2.696 20 0 GEADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000682279496 653207139 /nfs/dbraw/zinc/20/71/39/653207139.db2.gz VONJTHCQMVFKDR-UHFFFAOYSA-N 1 0 392.244 2.466 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)C[C@@]2(C)CC2(F)F)c1 ZINC000641454997 653207787 /nfs/dbraw/zinc/20/77/87/653207787.db2.gz MAFKFUCKMVPLQW-MRXNPFEDSA-N 1 0 376.469 2.434 20 0 GEADRO O=C(Cc1ccc(S(=O)(=O)CC(F)F)cc1)OCC[NH+]1CCCCC1 ZINC000770375216 653210681 /nfs/dbraw/zinc/21/06/81/653210681.db2.gz OBDWNIDUJLYTOM-UHFFFAOYSA-N 1 0 375.437 2.297 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1nn(C)cc1I ZINC000602873766 653211181 /nfs/dbraw/zinc/21/11/81/653211181.db2.gz KZVNSYVWOFTHKP-NSHDSACASA-N 1 0 390.269 2.019 20 0 GEADRO O=C(OCC[NH+]1CCCCC1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000770414531 653211458 /nfs/dbraw/zinc/21/14/58/653211458.db2.gz HSJIZJVQBPLYLQ-UHFFFAOYSA-N 1 0 383.242 2.423 20 0 GEADRO C[NH+](C)CCOCCNC(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000682614771 653220263 /nfs/dbraw/zinc/22/02/63/653220263.db2.gz UQAUAAMLROFKFG-UHFFFAOYSA-N 1 0 388.281 2.234 20 0 GEADRO CN(CCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)CC[NH+](C)C ZINC000808130933 653220526 /nfs/dbraw/zinc/22/05/26/653220526.db2.gz COLSPZWSMXSSNB-UHFFFAOYSA-N 1 0 385.427 2.415 20 0 GEADRO COC(=O)c1nn(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(C)c1Br ZINC000808190355 653221505 /nfs/dbraw/zinc/22/15/05/653221505.db2.gz FQOKDFBNMUDOES-AAEUAGOBSA-N 1 0 385.306 2.257 20 0 GEADRO CSC1(CNC(=O)Nc2c(Br)c(C)nn2C)CC[NH+](C)CC1 ZINC000603019537 653221932 /nfs/dbraw/zinc/22/19/32/653221932.db2.gz BVLSXQZMOHKTNC-UHFFFAOYSA-N 1 0 390.351 2.440 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000682783751 653223081 /nfs/dbraw/zinc/22/30/81/653223081.db2.gz MHYPYPOGHVGWTI-LBPRGKRZSA-N 1 0 398.276 2.436 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000682783750 653223173 /nfs/dbraw/zinc/22/31/73/653223173.db2.gz MHYPYPOGHVGWTI-GFCCVEGCSA-N 1 0 398.276 2.436 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000774081890 653223382 /nfs/dbraw/zinc/22/33/82/653223382.db2.gz YSMRIWIMHNLAKD-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000641622842 653224510 /nfs/dbraw/zinc/22/45/10/653224510.db2.gz CHGUHDBRYKQBGL-NWDGAFQWSA-N 1 0 382.452 2.180 20 0 GEADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000641625621 653224779 /nfs/dbraw/zinc/22/47/79/653224779.db2.gz WJAGNQDYLPXXHG-OCCSQVGLSA-N 1 0 382.452 2.186 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000774166619 653227354 /nfs/dbraw/zinc/22/73/54/653227354.db2.gz VXASZSXJXMFCIB-UHFFFAOYSA-N 1 0 397.317 2.281 20 0 GEADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000641650699 653227620 /nfs/dbraw/zinc/22/76/20/653227620.db2.gz SERLKMHDFRAWFZ-UHFFFAOYSA-N 1 0 375.485 2.071 20 0 GEADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000808355729 653228668 /nfs/dbraw/zinc/22/86/68/653228668.db2.gz NAVLFFJQGLGTCN-ZDUSSCGKSA-N 1 0 389.949 2.441 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000774222512 653229766 /nfs/dbraw/zinc/22/97/66/653229766.db2.gz LVXPGZIKWJYHRO-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO C[NH+](C)[C@H]1CCCN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000683198787 653230957 /nfs/dbraw/zinc/23/09/57/653230957.db2.gz OFRTVDQRDKKJIN-JTQLQIEISA-N 1 0 394.310 2.156 20 0 GEADRO CC(=O)NCc1ccc(S(=O)(=O)N(C)CCCC[NH+]2CCCCC2)s1 ZINC000641697216 653231338 /nfs/dbraw/zinc/23/13/38/653231338.db2.gz AXSOSDZWLJDGMO-UHFFFAOYSA-N 1 0 387.571 2.271 20 0 GEADRO Cc1cnc(N[C@H]2CCCN(CCN3CCOCC3)C2)c(Br)c1 ZINC000641717980 653232063 /nfs/dbraw/zinc/23/20/63/653232063.db2.gz JIFIGCFTWBQNLM-HNNXBMFYSA-N 1 0 383.334 2.361 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cnc(Br)cc2C)C1 ZINC000774279169 653232302 /nfs/dbraw/zinc/23/23/02/653232302.db2.gz BFSNYVUZWVIHKK-CYBMUJFWSA-N 1 0 397.317 2.281 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnc(Br)cc2C)C1 ZINC000774285506 653232469 /nfs/dbraw/zinc/23/24/69/653232469.db2.gz VYQMLSGMNGHMKH-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNCc2cc(Br)sc2Br)C1 ZINC000641748268 653232942 /nfs/dbraw/zinc/23/29/42/653232942.db2.gz WJEPZAZLEONXGQ-NSHDSACASA-N 1 0 384.137 2.429 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccnc2Br)C[C@H]1C ZINC000774315210 653234126 /nfs/dbraw/zinc/23/41/26/653234126.db2.gz YFYDRDPJAFTFEF-VXGBXAGGSA-N 1 0 383.290 2.114 20 0 GEADRO O=C(CC[NH2+]C[C@@]1(N2CCOCC2)CCSC1)Nc1ccc(Cl)cc1 ZINC000683342710 653234124 /nfs/dbraw/zinc/23/41/24/653234124.db2.gz RWRFXNVGDAYJFQ-SFHVURJKSA-N 1 0 383.945 2.466 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000641821531 653234650 /nfs/dbraw/zinc/23/46/50/653234650.db2.gz IZGCLXGMXWMYEC-UHFFFAOYSA-N 1 0 379.258 2.179 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000774339076 653234930 /nfs/dbraw/zinc/23/49/30/653234930.db2.gz DBFMKROLSDXWMD-OCCSQVGLSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000774339077 653235044 /nfs/dbraw/zinc/23/50/44/653235044.db2.gz DBFMKROLSDXWMD-TZMCWYRMSA-N 1 0 395.301 2.034 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000641822944 653235045 /nfs/dbraw/zinc/23/50/45/653235045.db2.gz YKNMOPDVFZFKEB-UHFFFAOYSA-N 1 0 379.258 2.179 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NCC[NH+]3CCCC3)CC2=O)ccc1Br ZINC000641999612 653236292 /nfs/dbraw/zinc/23/62/92/653236292.db2.gz XQNBXMYZZXGNTN-CQSZACIVSA-N 1 0 394.313 2.322 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000683822819 653241801 /nfs/dbraw/zinc/24/18/01/653241801.db2.gz ULYRRXCTKJFDOI-CABCVRRESA-N 1 0 381.318 2.421 20 0 GEADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642351396 653244953 /nfs/dbraw/zinc/24/49/53/653244953.db2.gz OSXSWWZSJFFKIQ-CJNGLKHVSA-N 1 0 384.307 2.253 20 0 GEADRO O=C(Cc1cccc(Cl)c1Cl)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000684049821 653251537 /nfs/dbraw/zinc/25/15/37/653251537.db2.gz FWZOZEJOCMSBFF-HNNXBMFYSA-N 1 0 386.323 2.059 20 0 GEADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cnc(Br)cc2C)CC1 ZINC000874036374 653252964 /nfs/dbraw/zinc/25/29/64/653252964.db2.gz FVQNEBNAXMJKLD-UHFFFAOYSA-N 1 0 397.317 2.424 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000874070939 653257809 /nfs/dbraw/zinc/25/78/09/653257809.db2.gz ONKUILIRSRGHPH-UHFFFAOYSA-N 1 0 397.317 2.409 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC000874097729 653261830 /nfs/dbraw/zinc/26/18/30/653261830.db2.gz GAZNXNRDSXVOBM-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000874099431 653262687 /nfs/dbraw/zinc/26/26/87/653262687.db2.gz XXXDVJGHJDQUFW-UHFFFAOYSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000874121088 653265565 /nfs/dbraw/zinc/26/55/65/653265565.db2.gz KNTCDKQKZNFFOX-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)c(Br)n1 ZINC000874121301 653265579 /nfs/dbraw/zinc/26/55/79/653265579.db2.gz PHGXOPRKSTZTOF-UHFFFAOYSA-N 1 0 397.317 2.470 20 0 GEADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ncccc3Br)CC2)CC1 ZINC000684477593 653267894 /nfs/dbraw/zinc/26/78/94/653267894.db2.gz NWKNPPRONGHDBD-OKILXGFUSA-N 1 0 381.318 2.133 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCC(F)(F)c1ccc(Br)cc1 ZINC000857007452 653271359 /nfs/dbraw/zinc/27/13/59/653271359.db2.gz LRAQMNWKCMBXEG-CYBMUJFWSA-N 1 0 377.229 2.426 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000684530229 653273208 /nfs/dbraw/zinc/27/32/08/653273208.db2.gz OVHPZYNHEVFIKU-PBFPGSCMSA-N 1 0 394.313 2.321 20 0 GEADRO C[C@@](O)(CO)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000684536856 653274190 /nfs/dbraw/zinc/27/41/90/653274190.db2.gz WQCMDQCRSNRUQN-KRWDZBQOSA-N 1 0 381.270 2.256 20 0 GEADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000774957349 653273963 /nfs/dbraw/zinc/27/39/63/653273963.db2.gz UTZWPOBPKSYYER-RYUDHWBXSA-N 1 0 390.336 2.311 20 0 GEADRO CCOc1cc(C[NH2+]C[C@@](C)(O)CO)cc(Br)c1OC(F)F ZINC000684536524 653274772 /nfs/dbraw/zinc/27/47/72/653274772.db2.gz IZKPRAIVQZHNHK-CQSZACIVSA-N 1 0 384.217 2.282 20 0 GEADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000809530540 653279704 /nfs/dbraw/zinc/27/97/04/653279704.db2.gz VSEDQACCNCJFNF-BZUAXINKSA-N 1 0 387.615 2.063 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000874175136 653280278 /nfs/dbraw/zinc/28/02/78/653280278.db2.gz NKIFGWOOMWTUOI-DOMZBBRYSA-N 1 0 380.286 2.249 20 0 GEADRO Cc1nc(CS(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000684597359 653282209 /nfs/dbraw/zinc/28/22/09/653282209.db2.gz PHXULXOOXHNVJQ-CALCHBBNSA-N 1 0 377.535 2.345 20 0 GEADRO O=C(NCC[NH2+]Cc1nc2ccc(Br)cc2s1)c1ccn[nH]1 ZINC000775017824 653282105 /nfs/dbraw/zinc/28/21/05/653282105.db2.gz USWUDGMANHVFLT-UHFFFAOYSA-N 1 0 380.271 2.302 20 0 GEADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809589224 653283321 /nfs/dbraw/zinc/28/33/21/653283321.db2.gz DXUJCFSKXBZWQS-CQSZACIVSA-N 1 0 377.551 2.036 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000857109676 653284249 /nfs/dbraw/zinc/28/42/49/653284249.db2.gz YFPASEVNOBCGLO-LBPRGKRZSA-N 1 0 384.278 2.188 20 0 GEADRO CN(CCn1cc(Br)cn1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000685080544 653292774 /nfs/dbraw/zinc/29/27/74/653292774.db2.gz VGMBMZDTEVBIRW-UHFFFAOYSA-N 1 0 390.245 2.390 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000685101697 653293588 /nfs/dbraw/zinc/29/35/88/653293588.db2.gz FQDBSDUUVKIBET-UHFFFAOYSA-N 1 0 396.329 2.318 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2cc(Br)ccc2C)C1 ZINC000685102054 653294572 /nfs/dbraw/zinc/29/45/72/653294572.db2.gz POMTWGLJRNWZEI-MRXNPFEDSA-N 1 0 396.329 2.316 20 0 GEADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(N)nc(Br)c1 ZINC000874250547 653295267 /nfs/dbraw/zinc/29/52/67/653295267.db2.gz VVZWCUAPFKONGH-UHFFFAOYSA-N 1 0 393.285 2.297 20 0 GEADRO O=C(c1csc(Br)n1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000874253783 653296467 /nfs/dbraw/zinc/29/64/67/653296467.db2.gz XIPKPZDKZIBCES-UHFFFAOYSA-N 1 0 388.331 2.480 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000857196635 653297887 /nfs/dbraw/zinc/29/78/87/653297887.db2.gz CZCVDGXBGYPKOX-LLVKDONJSA-N 1 0 385.306 2.026 20 0 GEADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1cnc(Br)s1 ZINC000857243300 653302189 /nfs/dbraw/zinc/30/21/89/653302189.db2.gz FAILJQSKLOFSTF-LBPRGKRZSA-N 1 0 376.320 2.315 20 0 GEADRO CSc1nc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2s1 ZINC000835793914 653302188 /nfs/dbraw/zinc/30/21/88/653302188.db2.gz XFHQZIWRCCPOHK-GXFFZTMASA-N 1 0 376.507 2.119 20 0 GEADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c(Br)nc2n1CCOC2 ZINC000857322881 653309719 /nfs/dbraw/zinc/30/97/19/653309719.db2.gz RBGVAVPQYSSTNL-LBPRGKRZSA-N 1 0 397.317 2.313 20 0 GEADRO OCCC1([NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000685618089 653310039 /nfs/dbraw/zinc/31/00/39/653310039.db2.gz DYBIFTQKQVKBOS-UHFFFAOYSA-N 1 0 381.274 2.051 20 0 GEADRO C[C@]1(c2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)cc2)NC(=O)NC1=O ZINC000775382599 653312404 /nfs/dbraw/zinc/31/24/04/653312404.db2.gz YUOCZJFIZVEZLI-BASYENTBSA-N 1 0 377.535 2.210 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874367858 653314092 /nfs/dbraw/zinc/31/40/92/653314092.db2.gz ZSZHBBULBRCMQA-GJZGRUSLSA-N 1 0 380.286 2.391 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000874432491 653318273 /nfs/dbraw/zinc/31/82/73/653318273.db2.gz LGJGETRZSBGDOG-RHSMWYFYSA-N 1 0 395.301 2.280 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1ccc(Br)cc1Br ZINC000701120910 653318968 /nfs/dbraw/zinc/31/89/68/653318968.db2.gz BLZKABGLSWRGTR-UHFFFAOYSA-N 1 0 394.107 2.208 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C[NH+]1CCCC1 ZINC000874454778 653320970 /nfs/dbraw/zinc/32/09/70/653320970.db2.gz MCAJIYXONDVYDZ-UHFFFAOYSA-N 1 0 382.302 2.010 20 0 GEADRO COC(=O)C[C@]1([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCCOC1 ZINC000775674287 653321494 /nfs/dbraw/zinc/32/14/94/653321494.db2.gz UOYDAHRRAYMYNK-GDBMZVCRSA-N 1 0 390.249 2.324 20 0 GEADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000713327167 653323703 /nfs/dbraw/zinc/32/37/03/653323703.db2.gz YKUYVQJSXOMXKB-UHFFFAOYSA-N 1 0 379.173 2.100 20 0 GEADRO CN(Cc1cn(C)nc1Br)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000714080964 653324255 /nfs/dbraw/zinc/32/42/55/653324255.db2.gz GHOJQPGCOKYJHS-SFHVURJKSA-N 1 0 393.329 2.251 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715128080 653325036 /nfs/dbraw/zinc/32/50/36/653325036.db2.gz KFAZFPKRXSMMRU-OTSSQURYSA-N 1 0 383.695 2.127 20 0 GEADRO O=S(=O)(NC[C@H]1CCN1Cc1ccccc1)c1cncc(Br)c1 ZINC000715594557 653325415 /nfs/dbraw/zinc/32/54/15/653325415.db2.gz PVHIWTJBOMHKIU-OAHLLOKOSA-N 1 0 396.310 2.397 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)nc1Br ZINC000836088414 653329696 /nfs/dbraw/zinc/32/96/96/653329696.db2.gz CTGCMNDVSPKOPJ-LBPRGKRZSA-N 1 0 383.290 2.032 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000836089065 653329888 /nfs/dbraw/zinc/32/98/88/653329888.db2.gz JVBQFVIHYMGUBN-GFCCVEGCSA-N 1 0 383.290 2.032 20 0 GEADRO Cc1cnc(Br)cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000776052351 653337022 /nfs/dbraw/zinc/33/70/22/653337022.db2.gz IIELXEJJEANUJH-ZDUSSCGKSA-N 1 0 383.290 2.339 20 0 GEADRO Cn1c(SCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)nnc1-c1cccs1 ZINC000874836990 653338699 /nfs/dbraw/zinc/33/86/99/653338699.db2.gz FULQRUYQTTZDKB-QWHCGFSZSA-N 1 0 377.539 2.331 20 0 GEADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000874833398 653338916 /nfs/dbraw/zinc/33/89/16/653338916.db2.gz LHVKCINQVZDSLV-UONOGXRCSA-N 1 0 394.269 2.089 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000874844366 653338927 /nfs/dbraw/zinc/33/89/27/653338927.db2.gz SXAOPPGBERPTKY-HOTGVXAUSA-N 1 0 390.285 2.339 20 0 GEADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cnc(Br)cc1C ZINC000810438646 653339656 /nfs/dbraw/zinc/33/96/56/653339656.db2.gz YAJMEUXQUDEWDQ-GFCCVEGCSA-N 1 0 385.306 2.328 20 0 GEADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCc2ccc(F)c(Br)c2C1 ZINC000857875292 653341286 /nfs/dbraw/zinc/34/12/86/653341286.db2.gz ZILWXGAPUSNRRH-UHFFFAOYSA-N 1 0 379.233 2.156 20 0 GEADRO COC[C@H](OC)C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857880055 653341423 /nfs/dbraw/zinc/34/14/23/653341423.db2.gz ASLYEPDWACRXST-ZBFHGGJFSA-N 1 0 385.302 2.320 20 0 GEADRO COC1CC[NH+](CCNC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000810486055 653341776 /nfs/dbraw/zinc/34/17/76/653341776.db2.gz IDCBZHQNYONHFH-UHFFFAOYSA-N 1 0 376.682 2.338 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000810495836 653342127 /nfs/dbraw/zinc/34/21/27/653342127.db2.gz KHSJBGAKRJUWKI-LBPRGKRZSA-N 1 0 385.306 2.328 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000810541972 653344622 /nfs/dbraw/zinc/34/46/22/653344622.db2.gz HDGWYYZWPDPKJU-UHFFFAOYSA-N 1 0 390.709 2.463 20 0 GEADRO O=C(NCc1ncc(Cl)s1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000874994540 653345656 /nfs/dbraw/zinc/34/56/56/653345656.db2.gz 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CC[NH+]1CCN(CC(C)(C)NC(=O)NCCSCCC(F)(F)F)CC1 ZINC000876177818 653406347 /nfs/dbraw/zinc/40/63/47/653406347.db2.gz YKRNAZIEYDGVMZ-UHFFFAOYSA-N 1 0 384.512 2.387 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000859127549 653410521 /nfs/dbraw/zinc/41/05/21/653410521.db2.gz BPZGAYBOXUAWBX-GFCCVEGCSA-N 1 0 379.258 2.076 20 0 GEADRO CSC1(CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC[NH+](C)CC1 ZINC000811898506 653412089 /nfs/dbraw/zinc/41/20/89/653412089.db2.gz JCLODDCLJSBARE-MGPQQGTHSA-N 1 0 375.629 2.493 20 0 GEADRO Cn1nnc(Br)c1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000811897279 653412185 /nfs/dbraw/zinc/41/21/85/653412185.db2.gz SDBDPGYROLWYSS-UHFFFAOYSA-N 1 0 382.262 2.160 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)c1ccc2ncc(I)n2c1 ZINC000837239091 653415620 /nfs/dbraw/zinc/41/56/20/653415620.db2.gz HZEURMWOWFZYJT-UHFFFAOYSA-N 1 0 386.237 2.009 20 0 GEADRO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CCC([NH2+]CCO)CC1 ZINC000632936077 653415841 /nfs/dbraw/zinc/41/58/41/653415841.db2.gz WNLAYGIAXWFJHC-UHFFFAOYSA-N 1 0 381.889 2.437 20 0 GEADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c(Cl)ccnc1Cl ZINC000778002251 653418172 /nfs/dbraw/zinc/41/81/72/653418172.db2.gz YBWVGMARMGQDEK-GFCCVEGCSA-N 1 0 394.324 2.310 20 0 GEADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000812310702 653421424 /nfs/dbraw/zinc/42/14/24/653421424.db2.gz NKMKZGCPIAQQOK-GFCCVEGCSA-N 1 0 380.290 2.488 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)C[C@@H]2C1 ZINC000812324268 653422166 /nfs/dbraw/zinc/42/21/66/653422166.db2.gz WZNBBAYPLJHSHW-OLZOCXBDSA-N 1 0 376.400 2.004 20 0 GEADRO O=C(c1c(Br)nc2n1CCCC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000837317436 653426569 /nfs/dbraw/zinc/42/65/69/653426569.db2.gz SEIZITJWFNMUMZ-UHFFFAOYSA-N 1 0 390.285 2.339 20 0 GEADRO C[S@](=O)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000859258319 653430484 /nfs/dbraw/zinc/43/04/84/653430484.db2.gz MLCNKJLHLZHDRF-BFIDETRKSA-N 1 0 376.547 2.458 20 0 GEADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc(Br)c(C)s1 ZINC000876475069 653430946 /nfs/dbraw/zinc/43/09/46/653430946.db2.gz KMWWLFYVPWDSMA-HNNXBMFYSA-N 1 0 391.331 2.238 20 0 GEADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc(F)ccc1Br ZINC000876472512 653431012 /nfs/dbraw/zinc/43/10/12/653431012.db2.gz XGEJOCPWWBXZJH-MRXNPFEDSA-N 1 0 389.265 2.007 20 0 GEADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc(Br)ccc1F ZINC000876472413 653431253 /nfs/dbraw/zinc/43/12/53/653431253.db2.gz WABWPDFDTWBMBY-INIZCTEOSA-N 1 0 389.265 2.007 20 0 GEADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc2ccnc(Cl)c2s1 ZINC000876477176 653431737 /nfs/dbraw/zinc/43/17/37/653431737.db2.gz NTWOOHHBYNUJFA-QGZVFWFLSA-N 1 0 383.901 2.369 20 0 GEADRO O=Cc1cnc2c(Br)cc(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn12 ZINC000859284464 653433312 /nfs/dbraw/zinc/43/33/12/653433312.db2.gz KDQVOJZBTPDBRG-CYBMUJFWSA-N 1 0 391.269 2.123 20 0 GEADRO CC[NH2+]Cc1cccc(NC(=O)c2cc(I)nn2C)c1 ZINC000876510809 653433425 /nfs/dbraw/zinc/43/34/25/653433425.db2.gz 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GEADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1Br)[NH+]1CCCCC1 ZINC000786818015 653728344 /nfs/dbraw/zinc/72/83/44/653728344.db2.gz SRXWJPFZXBAFFK-CYBMUJFWSA-N 1 0 382.302 2.056 20 0 GEADRO [NH3+][C@H](c1cn(C[C@H]2CN(C3CC3)C(=O)O2)nn1)c1ccc(Br)cc1 ZINC000881358018 653728366 /nfs/dbraw/zinc/72/83/66/653728366.db2.gz FEIZLCVGLOJIQT-ZFWWWQNUSA-N 1 0 392.257 2.072 20 0 GEADRO [NH3+][C@@H](c1cn(C[C@@H]2CC3(CC3)C(=O)O2)nn1)c1ccc(Br)cc1 ZINC000881371720 653728702 /nfs/dbraw/zinc/72/87/02/653728702.db2.gz DVLXWYBOGOIMKH-GXTWGEPZSA-N 1 0 377.242 2.184 20 0 GEADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCOCCS(C)(=O)=O)CC2 ZINC000786861469 653729246 /nfs/dbraw/zinc/72/92/46/653729246.db2.gz LANBGVZMIYBEDP-AWEZNQCLSA-N 1 0 376.316 2.396 20 0 GEADRO C[C@@](O)(Cn1cc(C[C@H]2CC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000881423988 653730688 /nfs/dbraw/zinc/73/06/88/653730688.db2.gz HOMMXSNUQGXPFV-BDJLRTHQSA-N 1 0 383.265 2.239 20 0 GEADRO C[C@](O)(Cn1cc(CSCC[NH3+])nn1)c1ccc(Br)cc1F ZINC000881424405 653730784 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C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818560023 653733457 /nfs/dbraw/zinc/73/34/57/653733457.db2.gz ZNPAHDGDAKGOMC-QMTHXVAHSA-N 1 0 389.315 2.195 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000818582374 653733945 /nfs/dbraw/zinc/73/39/45/653733945.db2.gz LRXOTOUKSHDLBQ-CYBMUJFWSA-N 1 0 387.933 2.242 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2nc(Cl)sc2Cl)CC1 ZINC000881625783 653734218 /nfs/dbraw/zinc/73/42/18/653734218.db2.gz UCECUZHDAKUMQY-UHFFFAOYSA-N 1 0 391.324 2.396 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000881625402 653734297 /nfs/dbraw/zinc/73/42/97/653734297.db2.gz OAAVJMDKSPCXGI-CYBMUJFWSA-N 1 0 376.328 2.293 20 0 GEADRO Cc1ccc(Br)nc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000787124004 653734569 /nfs/dbraw/zinc/73/45/69/653734569.db2.gz XUJZMHGBJCGJAX-AWEZNQCLSA-N 1 0 382.302 2.479 20 0 GEADRO Brc1nnc2ccc(N3CC[NH+](CCc4ccccc4)CC3)nn12 ZINC000881780157 653738811 /nfs/dbraw/zinc/73/88/11/653738811.db2.gz ZUPZJALVMDPUDZ-UHFFFAOYSA-N 1 0 387.285 2.252 20 0 GEADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000818947082 653739018 /nfs/dbraw/zinc/73/90/18/653739018.db2.gz CNEAOEFZAJYUGJ-KRWDZBQOSA-N 1 0 386.876 2.389 20 0 GEADRO CCCNC(=O)CN1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000818954492 653739222 /nfs/dbraw/zinc/73/92/22/653739222.db2.gz UJJBRYMCTDCRTB-QGZVFWFLSA-N 1 0 398.345 2.063 20 0 GEADRO CCCS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000818955805 653739399 /nfs/dbraw/zinc/73/93/99/653739399.db2.gz FKCDWBYMMHOXEJ-INIZCTEOSA-N 1 0 378.897 2.306 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)NCc1ccccc1 ZINC000818959967 653739422 /nfs/dbraw/zinc/73/94/22/653739422.db2.gz CGZGTJFIWVLTDS-KRWDZBQOSA-N 1 0 386.876 2.222 20 0 GEADRO CN1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C)cc2Br)CC1 ZINC000787532033 653739629 /nfs/dbraw/zinc/73/96/29/653739629.db2.gz FBQJRMQXQYTMQN-MRXNPFEDSA-N 1 0 381.318 2.234 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000818977691 653739815 /nfs/dbraw/zinc/73/98/15/653739815.db2.gz JXIJRPWKSNHYCY-CQSZACIVSA-N 1 0 379.917 2.440 20 0 GEADRO C[NH+](C)C1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000881801813 653740484 /nfs/dbraw/zinc/74/04/84/653740484.db2.gz PRAGIOQXOSOJTG-UHFFFAOYSA-N 1 0 383.212 2.099 20 0 GEADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000819001938 653740615 /nfs/dbraw/zinc/74/06/15/653740615.db2.gz GJXKFZJJONIJGD-KGLIPLIRSA-N 1 0 387.274 2.009 20 0 GEADRO C[C@](O)(C[NH2+]CCN1CCOCC1(C)C)c1ccc(Br)cc1F ZINC000819014391 653740970 /nfs/dbraw/zinc/74/09/70/653740970.db2.gz PEALNXVSVRZGCE-KRWDZBQOSA-N 1 0 389.309 2.496 20 0 GEADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCN1CC(F)(F)F ZINC000819054850 653741662 /nfs/dbraw/zinc/74/16/62/653741662.db2.gz NIRDJDKKMKLQHV-VXGBXAGGSA-N 1 0 399.182 2.374 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000819059005 653742033 /nfs/dbraw/zinc/74/20/33/653742033.db2.gz HXQSKOOTDFLIHK-AWEZNQCLSA-N 1 0 382.860 2.227 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000864608233 653742204 /nfs/dbraw/zinc/74/22/04/653742204.db2.gz FVDHEQUXQXMGPZ-JKSUJKDBSA-N 1 0 382.302 2.227 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819065793 653742353 /nfs/dbraw/zinc/74/23/53/653742353.db2.gz UIWXMFWIDRBXPB-TVQRCGJNSA-N 1 0 384.723 2.333 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)Cn1ccc(Br)cc1=O)c1cccc(F)c1 ZINC000864612451 653742387 /nfs/dbraw/zinc/74/23/87/653742387.db2.gz OSEGORXVMIRMTI-OAHLLOKOSA-N 1 0 396.260 2.169 20 0 GEADRO O=C(Nc1cc(Cl)ccc1Cl)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000864621363 653742425 /nfs/dbraw/zinc/74/24/25/653742425.db2.gz ZGIRAIOILHAOPJ-HONMWMINSA-N 1 0 385.251 2.392 20 0 GEADRO C[C@H](C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)CN1CCOCC1 ZINC000819089418 653742880 /nfs/dbraw/zinc/74/28/80/653742880.db2.gz JPXIPPTXPKQFKK-DYVFJYSZSA-N 1 0 389.309 2.354 20 0 GEADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000819082259 653742700 /nfs/dbraw/zinc/74/27/00/653742700.db2.gz WHFNCKUYXGPZOP-HOCLYGCPSA-N 1 0 377.547 2.174 20 0 GEADRO CCC[NH+]1CCC(CNS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000881845962 653742757 /nfs/dbraw/zinc/74/27/57/653742757.db2.gz DAGGSVNTDNFYEB-HSZRJFAPSA-N 1 0 379.592 2.373 20 0 GEADRO C[C@H](C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)CN1CCOCC1 ZINC000819089416 653742870 /nfs/dbraw/zinc/74/28/70/653742870.db2.gz JPXIPPTXPKQFKK-CXAGYDPISA-N 1 0 389.309 2.354 20 0 GEADRO CC(=O)N[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000864666742 653743229 /nfs/dbraw/zinc/74/32/29/653743229.db2.gz ZMDPUAGHAOKFTC-KRWDZBQOSA-N 1 0 394.313 2.369 20 0 GEADRO COCCCN(C)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819106588 653743368 /nfs/dbraw/zinc/74/33/68/653743368.db2.gz WHCDXWBTDVVKSC-INIZCTEOSA-N 1 0 377.298 2.354 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842006895 653743546 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COC1CC[NH+](C(C)(C)CNS(=O)(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000881870643 653745323 /nfs/dbraw/zinc/74/53/23/653745323.db2.gz XAKWMMHGTWNJKV-GFCCVEGCSA-N 1 0 387.373 2.379 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000819178892 653745371 /nfs/dbraw/zinc/74/53/71/653745371.db2.gz FLAAIGYFGIQSTR-NVXWUHKLSA-N 1 0 385.551 2.158 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2cc(F)ccc2F)c(C)s1 ZINC000819180047 653745630 /nfs/dbraw/zinc/74/56/30/653745630.db2.gz LTTWQPNAFTXCDC-HNNXBMFYSA-N 1 0 390.477 2.245 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1cc(F)ccc1F)c1ccc(Cl)s1 ZINC000819186655 653745838 /nfs/dbraw/zinc/74/58/38/653745838.db2.gz ULAVRJUJOMEYBC-LBPRGKRZSA-N 1 0 396.868 2.281 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCCSC(F)(F)F)C1 ZINC000787915357 653746082 /nfs/dbraw/zinc/74/60/82/653746082.db2.gz RQOMXAZHXUHECC-STQMWFEESA-N 1 0 383.480 2.230 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000819201226 653746121 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GEADRO COCCOC1(C[NH2+]C[C@@H](O)c2ccccc2Br)CCOCC1 ZINC000819339344 653749406 /nfs/dbraw/zinc/74/94/06/653749406.db2.gz KKOIQAHACAPWPL-MRXNPFEDSA-N 1 0 388.302 2.284 20 0 GEADRO COCCOC1(C[NH2+]C[C@H](O)c2ccc(Br)cc2)CCOCC1 ZINC000819338739 653749442 /nfs/dbraw/zinc/74/94/42/653749442.db2.gz ANUGHXFOIRGBRB-INIZCTEOSA-N 1 0 388.302 2.284 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000864962323 653749712 /nfs/dbraw/zinc/74/97/12/653749712.db2.gz KDZTZBBFPQTGNA-CZUORRHYSA-N 1 0 382.302 2.084 20 0 GEADRO COc1cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Br ZINC000788151410 653750814 /nfs/dbraw/zinc/75/08/14/653750814.db2.gz LCVOIJBEOYJDPW-TXEJJXNPSA-N 1 0 386.290 2.082 20 0 GEADRO CN1CCN(c2ccc(NC[C@@H](O)C[N@H+](C)C3CC3)cc2Br)CC1 ZINC000819474803 653751265 /nfs/dbraw/zinc/75/12/65/653751265.db2.gz DZKASEHZXSZVKF-MRXNPFEDSA-N 1 0 397.361 2.068 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)[C@@H](C)C1 ZINC000881932811 653751414 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20 0 GEADRO C[NH+](C)CC1CCC(NS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000882008742 653756853 /nfs/dbraw/zinc/75/68/53/653756853.db2.gz SFGOEVUJVVHTIC-CKBDLISKSA-N 1 0 379.592 2.372 20 0 GEADRO O=C1N[C@H]2CN(Cc3cc(Cl)nc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000842476622 653757554 /nfs/dbraw/zinc/75/75/54/653757554.db2.gz BVADURZVEAOXFK-UONOGXRCSA-N 1 0 384.311 2.109 20 0 GEADRO CN(CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)C[C@@H](O)C[NH3+] ZINC000842475782 653757651 /nfs/dbraw/zinc/75/76/51/653757651.db2.gz URLXXVLZMZUAHW-LURJTMIESA-N 1 0 375.083 2.490 20 0 GEADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000842480828 653757679 /nfs/dbraw/zinc/75/76/79/653757679.db2.gz AILVFYVZFFQOIU-ZFWWWQNUSA-N 1 0 386.901 2.279 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(Cl)cc1Cl ZINC000842480236 653757724 /nfs/dbraw/zinc/75/77/24/653757724.db2.gz RCDNITJTARXEAZ-BDAKNGLRSA-N 1 0 381.281 2.186 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(CCS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000842478817 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2.324 20 0 GEADRO C[NH2+]C[C@@H](C)c1noc(CCNC(=O)c2cc(F)ccc2Br)n1 ZINC000842579155 653759856 /nfs/dbraw/zinc/75/98/56/653759856.db2.gz LHODTFFXCSBMKM-SECBINFHSA-N 1 0 385.237 2.267 20 0 GEADRO C[NH2+]C[C@@H](C)c1noc(-c2cccn3c(I)cnc23)n1 ZINC000842582312 653759858 /nfs/dbraw/zinc/75/98/58/653759858.db2.gz YKGNEFWYBXSOKU-MRVPVSSYSA-N 1 0 383.193 2.312 20 0 GEADRO COc1cc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)ccn1 ZINC000788594231 653760091 /nfs/dbraw/zinc/76/00/91/653760091.db2.gz TVYABZKOOFGNQJ-NSHDSACASA-N 1 0 381.420 2.302 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1Cl ZINC000788635207 653761338 /nfs/dbraw/zinc/76/13/38/653761338.db2.gz QCIMVGXAAMZUBR-WPRPVWTQSA-N 1 0 380.919 2.258 20 0 GEADRO Ic1cnc2c(-c3nc([C@@H]4CCC[NH2+]4)no3)cccn12 ZINC000842638393 653761523 /nfs/dbraw/zinc/76/15/23/653761523.db2.gz KQZFYBQFFGRBCH-VIFPVBQESA-N 1 0 381.177 2.413 20 0 GEADRO C[NH+](C)CCN(Cc1ccccc1)c1ccc2nnc(Br)n2n1 ZINC000882085725 653761558 /nfs/dbraw/zinc/76/15/58/653761558.db2.gz AMXYKZIVXDRXED-UHFFFAOYSA-N 1 0 375.274 2.455 20 0 GEADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)C1 ZINC000842678583 653762730 /nfs/dbraw/zinc/76/27/30/653762730.db2.gz OWYTVPLTGWQEEI-SNVBAGLBSA-N 1 0 395.294 2.217 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000842689768 653763087 /nfs/dbraw/zinc/76/30/87/653763087.db2.gz LQFFEPGMUCGRDM-SKDRFNHKSA-N 1 0 395.294 2.487 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cnc1Cl ZINC000842688146 653763106 /nfs/dbraw/zinc/76/31/06/653763106.db2.gz ALSQZLOORKKEQP-BXKDBHETSA-N 1 0 396.738 2.305 20 0 GEADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cnc1Cl ZINC000842699354 653763535 /nfs/dbraw/zinc/76/35/35/653763535.db2.gz LTRXYMZPDZKEGE-CHWSQXEVSA-N 1 0 379.682 2.408 20 0 GEADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cnc1Cl ZINC000842699357 653763583 /nfs/dbraw/zinc/76/35/83/653763583.db2.gz LTRXYMZPDZKEGE-STQMWFEESA-N 1 0 379.682 2.408 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cnc1Cl ZINC000842702440 653763739 /nfs/dbraw/zinc/76/37/39/653763739.db2.gz HXDDNKPHKWPOCW-JOYOIKCWSA-N 1 0 396.738 2.305 20 0 GEADRO [NH3+]CCc1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1 ZINC000842701419 653763787 /nfs/dbraw/zinc/76/37/87/653763787.db2.gz GOIQLQJAXNFURE-UHFFFAOYSA-N 1 0 382.869 2.091 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cnc1Cl ZINC000842702441 653763799 /nfs/dbraw/zinc/76/37/99/653763799.db2.gz HXDDNKPHKWPOCW-SKDRFNHKSA-N 1 0 396.738 2.305 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000819973317 653763952 /nfs/dbraw/zinc/76/39/52/653763952.db2.gz GYJPTWDWIBREKA-CYBMUJFWSA-N 1 0 379.258 2.300 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000842718241 653764457 /nfs/dbraw/zinc/76/44/57/653764457.db2.gz JVSNDVXWAFKYQP-SNVBAGLBSA-N 1 0 383.283 2.249 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000842737459 653765389 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CN1CCC[C@@]2(CCN(S(=O)(=O)N=[S@@](C)(=O)C3CCCCC3)C2)C1 ZINC000882221272 653770368 /nfs/dbraw/zinc/77/03/68/653770368.db2.gz JLHGYHZNBWWOGP-MWTRTKDXSA-N 1 0 377.576 2.079 20 0 GEADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000820264935 653770380 /nfs/dbraw/zinc/77/03/80/653770380.db2.gz ULPYRAJSTPLACB-ZBINZKHDSA-N 1 0 378.270 2.037 20 0 GEADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CS1(=O)=O ZINC000865626564 653770403 /nfs/dbraw/zinc/77/04/03/653770403.db2.gz USDWCLBXOGTIDW-IJLUTSLNSA-N 1 0 388.452 2.387 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000842851838 653770465 /nfs/dbraw/zinc/77/04/65/653770465.db2.gz RRNWJXWKXGCEDD-BEVHLOIGSA-N 1 0 377.279 2.381 20 0 GEADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc2n(n1)CCCC2 ZINC000842853511 653770557 /nfs/dbraw/zinc/77/05/57/653770557.db2.gz YOOMBMBPQQMMFA-NSHDSACASA-N 1 0 380.436 2.184 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000842870674 653771145 /nfs/dbraw/zinc/77/11/45/653771145.db2.gz BUIYYMXOBYZCGQ-UHFFFAOYSA-N 1 0 394.722 2.262 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000842892061 653772315 /nfs/dbraw/zinc/77/23/15/653772315.db2.gz CQXLGISLZRMYJF-CHWSQXEVSA-N 1 0 386.901 2.137 20 0 GEADRO CN(C)c1ncc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)n1C ZINC000865715684 653772656 /nfs/dbraw/zinc/77/26/56/653772656.db2.gz XQTFHARMVAFWEC-QGZVFWFLSA-N 1 0 381.318 2.332 20 0 GEADRO Cc1ccc(S(=O)(=O)NCCCCCC[NH3+])cc1I ZINC000842913656 653773406 /nfs/dbraw/zinc/77/34/06/653773406.db2.gz CLYRGUGVUKPWIT-UHFFFAOYSA-N 1 0 396.294 2.397 20 0 GEADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000842916057 653773458 /nfs/dbraw/zinc/77/34/58/653773458.db2.gz KUDFJDBZGARALL-ZDUSSCGKSA-N 1 0 378.841 2.123 20 0 GEADRO [NH3+]CCCCCCNS(=O)(=O)c1cccc(I)c1 ZINC000842918168 653773616 /nfs/dbraw/zinc/77/36/16/653773616.db2.gz CEKVQOMPFKAPKY-UHFFFAOYSA-N 1 0 382.267 2.089 20 0 GEADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccnc2Br)[C@H](O)C1 ZINC000865747607 653773807 /nfs/dbraw/zinc/77/38/07/653773807.db2.gz VCAIHZBLFWRIAH-CHWSQXEVSA-N 1 0 386.290 2.304 20 0 GEADRO CCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NCCCSC)cc1 ZINC000789403442 653774287 /nfs/dbraw/zinc/77/42/87/653774287.db2.gz XHZJCAMOTPBDQC-UHFFFAOYSA-O 1 0 378.547 2.219 20 0 GEADRO O=C1OC[C@]2(C[NH2+]Cc3cccc(Br)c3Cl)COCCN12 ZINC000865770353 653774364 /nfs/dbraw/zinc/77/43/64/653774364.db2.gz KMGFWQKWWBFIPE-AWEZNQCLSA-N 1 0 375.650 2.413 20 0 GEADRO CC[NH+]1CCN(CCNC(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000865791561 653775249 /nfs/dbraw/zinc/77/52/49/653775249.db2.gz DCGPLUCDUVFDIL-UHFFFAOYSA-N 1 0 376.245 2.095 20 0 GEADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(Br)cc1S(N)(=O)=O ZINC000865800316 653775395 /nfs/dbraw/zinc/77/53/95/653775395.db2.gz IFNLHMUSSCRVCK-AAEUAGOBSA-N 1 0 388.331 2.160 20 0 GEADRO COC[C@H](CN1CCO[C@H](C)C1)OC(=O)CSc1ccc(F)c(F)c1 ZINC000842967387 653775463 /nfs/dbraw/zinc/77/54/63/653775463.db2.gz SYBLKAOQQOSWII-OLZOCXBDSA-N 1 0 375.437 2.336 20 0 GEADRO Cc1c(Br)cc(F)cc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000820494785 653775580 /nfs/dbraw/zinc/77/55/80/653775580.db2.gz KUGJZPPTLNZROG-UHFFFAOYSA-N 1 0 384.293 2.216 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)c1F ZINC000789561602 653777371 /nfs/dbraw/zinc/77/73/71/653777371.db2.gz DOBRKFUWQONCLI-SNVBAGLBSA-N 1 0 386.265 2.436 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000865858029 653777354 /nfs/dbraw/zinc/77/73/54/653777354.db2.gz YNLWFJMIPWDLII-NSHDSACASA-N 1 0 388.249 2.324 20 0 GEADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843053814 653778301 /nfs/dbraw/zinc/77/83/01/653778301.db2.gz SHZUVLLTISFTNW-UHFFFAOYSA-N 1 0 390.267 2.354 20 0 GEADRO O[C@H](C[NH2+]C[C@H](O)C(F)(F)F)COc1ccc(Cl)cc1Br ZINC000843062969 653778607 /nfs/dbraw/zinc/77/86/07/653778607.db2.gz OZLQXCKKXHPIDH-KCJUWKMLSA-N 1 0 392.599 2.355 20 0 GEADRO Cc1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)o1 ZINC000843088336 653778985 /nfs/dbraw/zinc/77/89/85/653778985.db2.gz ODHXNPOSTNJJFF-AWEZNQCLSA-N 1 0 388.283 2.447 20 0 GEADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000843092874 653778994 /nfs/dbraw/zinc/77/89/94/653778994.db2.gz LTTHHKCPJZCKAH-IRXDYDNUSA-N 1 0 387.860 2.239 20 0 GEADRO CN(C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C(=O)OC(C)(C)C ZINC000843094372 653779148 /nfs/dbraw/zinc/77/91/48/653779148.db2.gz QELBTLHDUGEUDG-IUODEOHRSA-N 1 0 376.856 2.330 20 0 GEADRO CCC[C@H](O)[C@@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000843102945 653779452 /nfs/dbraw/zinc/77/94/52/653779452.db2.gz XHUVVXFTLJJTFM-ILXRZTDVSA-N 1 0 380.710 2.422 20 0 GEADRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C2 ZINC000843111190 653779609 /nfs/dbraw/zinc/77/96/09/653779609.db2.gz DSBRMPGUOVEFQA-QAPCUYQASA-N 1 0 394.313 2.127 20 0 GEADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc(Br)no2)CC1 ZINC000865921997 653779822 /nfs/dbraw/zinc/77/98/22/653779822.db2.gz YVZKSMNRQWSIDJ-STQMWFEESA-N 1 0 385.306 2.068 20 0 GEADRO CN(C[C@H](O)C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000843113001 653779828 /nfs/dbraw/zinc/77/98/28/653779828.db2.gz ZMNAEILJAVXVKS-HUUCEWRRSA-N 1 0 376.856 2.330 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc(Br)no2)CC1 ZINC000865921996 653779886 /nfs/dbraw/zinc/77/98/86/653779886.db2.gz YVZKSMNRQWSIDJ-CHWSQXEVSA-N 1 0 385.306 2.068 20 0 GEADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@H]1O)COc1ccc(Br)cc1 ZINC000843117835 653780014 /nfs/dbraw/zinc/78/00/14/653780014.db2.gz UNLVFGQMIPNYHF-MZMPZRCHSA-N 1 0 394.265 2.273 20 0 GEADRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccccc1I ZINC000843122746 653780202 /nfs/dbraw/zinc/78/02/02/653780202.db2.gz UFCFSIXLZYMLNH-CQSZACIVSA-N 1 0 382.249 2.171 20 0 GEADRO O=c1cc(CSCc2nc(CC3CC[NH2+]CC3)no2)nc2sccn21 ZINC000843133918 653780301 /nfs/dbraw/zinc/78/03/01/653780301.db2.gz WOWSDLHEOIWQDD-UHFFFAOYSA-N 1 0 377.495 2.115 20 0 GEADRO CC(C)[C@@H]([NH3+])c1noc(CCN2c3ccc(Br)cc3OCC2=O)n1 ZINC000843156409 653780722 /nfs/dbraw/zinc/78/07/22/653780722.db2.gz XQKVZEKUDLJGML-OAHLLOKOSA-N 1 0 395.257 2.456 20 0 GEADRO [NH3+][C@@H](Cc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1)C1CC1 ZINC000843201573 653781187 /nfs/dbraw/zinc/78/11/87/653781187.db2.gz ZSWXLPJBULSXKK-NSHDSACASA-N 1 0 390.241 2.352 20 0 GEADRO Fc1cccc(Cc2noc([C@@H]3C[NH2+]CCO3)n2)c1I ZINC000843210854 653781274 /nfs/dbraw/zinc/78/12/74/653781274.db2.gz ZBJPNBNWWIOCKT-JTQLQIEISA-N 1 0 389.168 2.065 20 0 GEADRO CC[C@H]1C[N@H+](C)CCN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000820729358 653781406 /nfs/dbraw/zinc/78/14/06/653781406.db2.gz YCEKYAWJXZVTBS-GXTWGEPZSA-N 1 0 380.286 2.428 20 0 GEADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000882432472 653781469 /nfs/dbraw/zinc/78/14/69/653781469.db2.gz SSZDDNUHUIFIIE-NEPJUHHUSA-N 1 0 382.452 2.180 20 0 GEADRO Clc1nc2sccn2c1-c1noc(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000843219813 653781731 /nfs/dbraw/zinc/78/17/31/653781731.db2.gz UWDPUVLQCZOZLV-UHFFFAOYSA-N 1 0 376.833 2.282 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000820758280 653782065 /nfs/dbraw/zinc/78/20/65/653782065.db2.gz WHDHUOLZTAODLZ-SECBINFHSA-N 1 0 382.711 2.260 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl ZINC000882476503 653783917 /nfs/dbraw/zinc/78/39/17/653783917.db2.gz ATRLMBQLWRFPPZ-CJNGLKHVSA-N 1 0 383.945 2.402 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)cc1I ZINC000882489266 653784595 /nfs/dbraw/zinc/78/45/95/653784595.db2.gz PSKFLKCIVXUYTI-MRVPVSSYSA-N 1 0 380.176 2.393 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000843418774 653786570 /nfs/dbraw/zinc/78/65/70/653786570.db2.gz YVARYLSBTWPDPI-UWVGGRQHSA-N 1 0 380.388 2.315 20 0 GEADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)C1(n2cccn2)CC[NH2+]CC1 ZINC000843438241 653786992 /nfs/dbraw/zinc/78/69/92/653786992.db2.gz MXLIHZNLDUGXGE-OAHLLOKOSA-N 1 0 383.279 2.118 20 0 GEADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1n[nH]c(C2CC2)c1Br ZINC000843456055 653787349 /nfs/dbraw/zinc/78/73/49/653787349.db2.gz IDZQWCGZZQLLLU-UHFFFAOYSA-N 1 0 379.262 2.423 20 0 GEADRO C[C@@H](CC(=O)Nc1cnn(C2CC[NH2+]CC2)c1)n1cc(Br)cn1 ZINC000843460217 653787381 /nfs/dbraw/zinc/78/73/81/653787381.db2.gz ZAKPOXQSOGHWCF-NSHDSACASA-N 1 0 381.278 2.356 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000843478197 653787961 /nfs/dbraw/zinc/78/79/61/653787961.db2.gz VTFUPWIOTQDORU-UHFFFAOYSA-N 1 0 387.933 2.229 20 0 GEADRO O=C(c1csc(I)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000820973368 653787983 /nfs/dbraw/zinc/78/79/83/653787983.db2.gz JQAVCYPKOWGVNG-UHFFFAOYSA-N 1 0 391.278 2.448 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)/C=C\c1ccc(C)cc1Br ZINC000843476892 653787974 /nfs/dbraw/zinc/78/79/74/653787974.db2.gz HPCQYLNRLPNHTC-XHPSBEMXSA-N 1 0 381.270 2.134 20 0 GEADRO O=C(/C=C/c1ccc(I)o1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000843485824 653788062 /nfs/dbraw/zinc/78/80/62/653788062.db2.gz XSOGTSQENVCROD-HDMKULJXSA-N 1 0 382.148 2.011 20 0 GEADRO O=C(N1CCn2c(Br)cnc2C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000843492329 653788308 /nfs/dbraw/zinc/78/83/08/653788308.db2.gz PYILREOVUQUQBZ-UHFFFAOYSA-N 1 0 389.297 2.309 20 0 GEADRO COc1ccc(Br)cc1C1(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000843509382 653788856 /nfs/dbraw/zinc/78/88/56/653788856.db2.gz XLEHWXNWPIVNCL-ZDUSSCGKSA-N 1 0 383.286 2.332 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000866320146 653790627 /nfs/dbraw/zinc/79/06/27/653790627.db2.gz JPVSBJBOJVHQBE-UHFFFAOYSA-N 1 0 385.306 2.163 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000866355350 653791343 /nfs/dbraw/zinc/79/13/43/653791343.db2.gz VBLZSVDGMRAEKA-UHFFFAOYSA-N 1 0 382.302 2.134 20 0 GEADRO Cn1cc(Br)c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)cc1=O ZINC000821232858 653792921 /nfs/dbraw/zinc/79/29/21/653792921.db2.gz UGZFWYMMGDICTG-UHFFFAOYSA-N 1 0 382.302 2.238 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1nccn2c(Br)cnc12 ZINC000790574997 653793365 /nfs/dbraw/zinc/79/33/65/653793365.db2.gz FTLREDGGMXBQPJ-NSHDSACASA-N 1 0 380.290 2.342 20 0 GEADRO COc1cc(Br)cc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000821273019 653793637 /nfs/dbraw/zinc/79/36/37/653793637.db2.gz YDYLCJQUGYQVRG-UHFFFAOYSA-N 1 0 385.302 2.423 20 0 GEADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1nc[nH]c1Br ZINC000866430656 653795094 /nfs/dbraw/zinc/79/50/94/653795094.db2.gz UKKYKIJUZIXGGJ-UHFFFAOYSA-N 1 0 399.314 2.247 20 0 GEADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000866434314 653795306 /nfs/dbraw/zinc/79/53/06/653795306.db2.gz LACPATMFFRNHAY-MWLCHTKSSA-N 1 0 376.770 2.437 20 0 GEADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCn1cnc(Br)n1 ZINC000821349523 653795530 /nfs/dbraw/zinc/79/55/30/653795530.db2.gz YJPAPMKCLHFVBU-GFCCVEGCSA-N 1 0 376.262 2.314 20 0 GEADRO C[NH+]1CCC(n2cc(Nc3ccc4nnc(Br)n4n3)cn2)CC1 ZINC000882681088 653797997 /nfs/dbraw/zinc/79/79/97/653797997.db2.gz JYSRQRSWMAGJEX-UHFFFAOYSA-N 1 0 377.250 2.094 20 0 GEADRO CCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000843992366 653798499 /nfs/dbraw/zinc/79/84/99/653798499.db2.gz RJBZLXSKVPOOLE-ZDUSSCGKSA-N 1 0 387.933 2.147 20 0 GEADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000866491094 653798741 /nfs/dbraw/zinc/79/87/41/653798741.db2.gz JRQFLCZQIKXQBW-UHFFFAOYSA-N 1 0 379.592 2.327 20 0 GEADRO Cn1nc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1Br ZINC000844049038 653800025 /nfs/dbraw/zinc/80/00/25/653800025.db2.gz HUEVCXRNKACCDC-KGLIPLIRSA-N 1 0 377.286 2.258 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000790968292 653801943 /nfs/dbraw/zinc/80/19/43/653801943.db2.gz NFKMQFPFXXQZPH-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO [NH3+]CCCCCCNC(=O)c1ccc2ncc(I)n2c1 ZINC000844200228 653803343 /nfs/dbraw/zinc/80/33/43/653803343.db2.gz OUDPTAGTLYQVAS-UHFFFAOYSA-N 1 0 386.237 2.188 20 0 GEADRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844377486 653805690 /nfs/dbraw/zinc/80/56/90/653805690.db2.gz HBHQAGDQTITULM-SMDDNHRTSA-N 1 0 378.441 2.008 20 0 GEADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000844641030 653810714 /nfs/dbraw/zinc/81/07/14/653810714.db2.gz NHSQFVBXQPBIAG-YNEHKIRRSA-N 1 0 387.933 2.143 20 0 GEADRO C[C@H]1C[NH+](CCCCNC(=O)Cc2cccnc2Br)C[C@H](C)O1 ZINC000791381828 653811791 /nfs/dbraw/zinc/81/17/91/653811791.db2.gz WWBGVINSEXUXPW-KBPBESRZSA-N 1 0 384.318 2.392 20 0 GEADRO Cc1cc(Br)ccc1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712754 653814222 /nfs/dbraw/zinc/81/42/22/653814222.db2.gz WMIOZIYSFQWDIM-XHSDSOJGSA-N 1 0 380.286 2.124 20 0 GEADRO Cn1nc(Br)nc1C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000895046929 653814290 /nfs/dbraw/zinc/81/42/90/653814290.db2.gz YWCDCZPBVAXPMD-ZJUUUORDSA-N 1 0 388.310 2.359 20 0 GEADRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(Br)nn1C)NC(=O)OC(C)(C)C ZINC000895075436 653816061 /nfs/dbraw/zinc/81/60/61/653816061.db2.gz WSFFBDJGWMWOBM-NXEZZACHSA-N 1 0 376.299 2.359 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000866757281 653820130 /nfs/dbraw/zinc/82/01/30/653820130.db2.gz OWPIOTUZAVTVPL-MNOVXSKESA-N 1 0 377.304 2.147 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000822235423 653820614 /nfs/dbraw/zinc/82/06/14/653820614.db2.gz HPDXBIBJXQVGCY-UHFFFAOYSA-N 1 0 378.826 2.002 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000866770245 653822473 /nfs/dbraw/zinc/82/24/73/653822473.db2.gz WNQHSDCLTVEFRF-QWRGUYRKSA-N 1 0 377.304 2.005 20 0 GEADRO C[NH+](C)CCc1ccc(CNC(=O)c2cc(N)nc(Br)c2)cc1 ZINC000822324644 653823425 /nfs/dbraw/zinc/82/34/25/653823425.db2.gz GYDLSHMSPWEGLQ-UHFFFAOYSA-N 1 0 377.286 2.460 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)cnc3Cl)C2)C1 ZINC000866774381 653823627 /nfs/dbraw/zinc/82/36/27/653823627.db2.gz LIZDCFZQKZVLMS-RAIGVLPGSA-N 1 0 394.324 2.295 20 0 GEADRO NC(=NOCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000883059653 653824489 /nfs/dbraw/zinc/82/44/89/653824489.db2.gz GOHPXVUHCYZPSM-UHFFFAOYSA-N 1 0 395.301 2.039 20 0 GEADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1nc(Br)sc1Cl ZINC000866784146 653825336 /nfs/dbraw/zinc/82/53/36/653825336.db2.gz NDJIHGFAOQGCRT-MRVPVSSYSA-N 1 0 382.711 2.136 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)cn2ccnc12 ZINC000866783715 653825331 /nfs/dbraw/zinc/82/53/31/653825331.db2.gz SPVPSUSRJFEZRJ-CQSZACIVSA-N 1 0 395.301 2.064 20 0 GEADRO O=C(NCCc1cccc(Br)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000895292017 653826217 /nfs/dbraw/zinc/82/62/17/653826217.db2.gz QXOVKWNVRIGPPD-IAGOWNOFSA-N 1 0 396.329 2.232 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCC[C@H](C)[NH+](C)C ZINC000895294356 653826648 /nfs/dbraw/zinc/82/66/48/653826648.db2.gz UPPOSHJFJHLVBW-STQMWFEESA-N 1 0 386.334 2.392 20 0 GEADRO Cc1c(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)cnn1-c1ccc(Cl)cc1 ZINC000866794590 653827365 /nfs/dbraw/zinc/82/73/65/653827365.db2.gz MUNWLLXMNAUHIW-UHFFFAOYSA-N 1 0 380.901 2.479 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)C1 ZINC000866794379 653827458 /nfs/dbraw/zinc/82/74/58/653827458.db2.gz PEIRGIARWFVAOZ-MRXNPFEDSA-N 1 0 389.924 2.021 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866795835 653827681 /nfs/dbraw/zinc/82/76/81/653827681.db2.gz LAWMNBNEQYFSTB-UHFFFAOYSA-N 1 0 380.491 2.332 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000895332256 653827757 /nfs/dbraw/zinc/82/77/57/653827757.db2.gz UJDYSSJYXMUDGI-SJORKVTESA-N 1 0 380.286 2.261 20 0 GEADRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1c(I)cnn1C ZINC000895339881 653828806 /nfs/dbraw/zinc/82/88/06/653828806.db2.gz BWELJPVIYJEQQT-JSGCOSHPSA-N 1 0 391.253 2.236 20 0 GEADRO OCCO[C@@]1(C[NH2+]Cc2c(Br)ccc(Cl)c2F)CCOC1 ZINC000895338992 653828811 /nfs/dbraw/zinc/82/88/11/653828811.db2.gz XCPDGRDVORZSNT-CQSZACIVSA-N 1 0 382.657 2.499 20 0 GEADRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000866804235 653829258 /nfs/dbraw/zinc/82/92/58/653829258.db2.gz RYGLFTRQBLXDTA-UHFFFAOYSA-N 1 0 382.711 2.260 20 0 GEADRO O=C(Cc1noc([C@]23C[NH2+]C[C@H]2COC3)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000844916813 653829358 /nfs/dbraw/zinc/82/93/58/653829358.db2.gz MFMAJVKQFSZDEK-FVMDXXJSSA-N 1 0 383.235 2.045 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1Cl ZINC000866806107 653829761 /nfs/dbraw/zinc/82/97/61/653829761.db2.gz SKBOPZBQQQQODD-AOOOYVTPSA-N 1 0 383.297 2.034 20 0 GEADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000866808080 653830036 /nfs/dbraw/zinc/83/00/36/653830036.db2.gz YVJOMBSWQBJSGR-GVJMRKKJSA-N 1 0 387.221 2.484 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000866810229 653830658 /nfs/dbraw/zinc/83/06/58/653830658.db2.gz SKVJGZYPKJNUST-ZSBIGDGJSA-N 1 0 389.315 2.267 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000866813526 653831226 /nfs/dbraw/zinc/83/12/26/653831226.db2.gz QVUUKJUZAOULEG-OLZOCXBDSA-N 1 0 390.933 2.420 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000866813372 653831233 /nfs/dbraw/zinc/83/12/33/653831233.db2.gz WJIIBWXDUFNLPV-JTQLQIEISA-N 1 0 377.304 2.124 20 0 GEADRO Cn1cc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c(I)n1 ZINC000895389763 653831648 /nfs/dbraw/zinc/83/16/48/653831648.db2.gz PYUUHJZDUDLWFN-OAHLLOKOSA-N 1 0 399.232 2.344 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866818996 653832203 /nfs/dbraw/zinc/83/22/03/653832203.db2.gz BGRVATUYOPXAFQ-MWLCHTKSSA-N 1 0 394.722 2.260 20 0 GEADRO NC(=O)C1CCN(C(=O)C2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822583544 653832442 /nfs/dbraw/zinc/83/24/42/653832442.db2.gz ONLXHIPIDIUPCD-AWEZNQCLSA-N 1 0 376.328 2.006 20 0 GEADRO COCCC1(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC[NH2+]CC1 ZINC000866821176 653832518 /nfs/dbraw/zinc/83/25/18/653832518.db2.gz TZKLVUNXXMTGAY-UHFFFAOYSA-N 1 0 397.324 2.439 20 0 GEADRO COCCC1(NS(=O)(=O)c2cc(Br)ccc2C)CC[NH2+]CC1 ZINC000866821303 653832546 /nfs/dbraw/zinc/83/25/46/653832546.db2.gz YVCAYJYNQQWCNW-UHFFFAOYSA-N 1 0 391.331 2.195 20 0 GEADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000792026520 653832531 /nfs/dbraw/zinc/83/25/31/653832531.db2.gz WOZVMNUYPZOBIW-QGZVFWFLSA-N 1 0 388.265 2.496 20 0 GEADRO COCCC1(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC[NH2+]CC1 ZINC000866821537 653832665 /nfs/dbraw/zinc/83/26/65/653832665.db2.gz JNVXMGRVPYUQEP-UHFFFAOYSA-N 1 0 384.395 2.282 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000883252535 653833242 /nfs/dbraw/zinc/83/32/42/653833242.db2.gz MODQQZFHLYMANR-AWEZNQCLSA-N 1 0 397.317 2.480 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]CCc2cc(Cl)cc(Br)c2)nn1 ZINC000883267196 653833618 /nfs/dbraw/zinc/83/36/18/653833618.db2.gz WCXIHCXCSGVGIB-UHFFFAOYSA-N 1 0 387.665 2.199 20 0 GEADRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000822692887 653836442 /nfs/dbraw/zinc/83/64/42/653836442.db2.gz JQSVAXAPAGXNND-LBPRGKRZSA-N 1 0 378.416 2.442 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cn2ccc(Br)cc2=O)C1 ZINC000866841492 653836600 /nfs/dbraw/zinc/83/66/00/653836600.db2.gz DIIYRGMEUHDRGD-CQSZACIVSA-N 1 0 384.318 2.095 20 0 GEADRO CN(CC[NH2+][C@H]1CCCOc2ccc(Br)cc21)CCOCCO ZINC000883351099 653836672 /nfs/dbraw/zinc/83/66/72/653836672.db2.gz XDDLUQYHVLAYCZ-INIZCTEOSA-N 1 0 387.318 2.193 20 0 GEADRO C[C@@H](CNC(=O)c1csc(I)n1)C[NH+]1CCCC1 ZINC000822693372 653836876 /nfs/dbraw/zinc/83/68/76/653836876.db2.gz UZVHLKSEZBAMSP-VIFPVBQESA-N 1 0 379.267 2.209 20 0 GEADRO C[C@@H]([NH2+]CCN(C)CCOCCO)c1cc(F)c(Br)cc1F ZINC000883351821 653836940 /nfs/dbraw/zinc/83/69/40/653836940.db2.gz MRFQYTIZFARPSL-LLVKDONJSA-N 1 0 381.261 2.319 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000883360232 653837439 /nfs/dbraw/zinc/83/74/39/653837439.db2.gz YEHSZDLJDSLYDY-CABZTGNLSA-N 1 0 390.374 2.146 20 0 GEADRO O=C(Cn1ccc(Br)cc1=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000866848896 653837662 /nfs/dbraw/zinc/83/76/62/653837662.db2.gz REIIXTMAZOIDEJ-XJKSGUPXSA-N 1 0 394.313 2.086 20 0 GEADRO COCCN1CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000883377688 653837940 /nfs/dbraw/zinc/83/79/40/653837940.db2.gz NRDUJIKHLRNNPX-GDBMZVCRSA-N 1 0 382.302 2.013 20 0 GEADRO CS(=O)(=O)C1(c2nc(-c3cccc(Br)c3)no2)CC[NH2+]CC1 ZINC000822722389 653838209 /nfs/dbraw/zinc/83/82/09/653838209.db2.gz DVUGFUXPVYCXNW-UHFFFAOYSA-N 1 0 386.271 2.122 20 0 GEADRO COC(=O)[C@@]1(C[NH2+]Cc2cc3ccnc(Cl)c3s2)C[C@@H]1S(C)(=O)=O ZINC000895510012 653838770 /nfs/dbraw/zinc/83/87/70/653838770.db2.gz FCLYZQSCUQPNRH-XHDPSFHLSA-N 1 0 388.898 2.016 20 0 GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000883446536 653840152 /nfs/dbraw/zinc/84/01/52/653840152.db2.gz GIGGOVUFHIUZGP-ZDUSSCGKSA-N 1 0 393.289 2.128 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000883449956 653840208 /nfs/dbraw/zinc/84/02/08/653840208.db2.gz STZJUCUCICYAAK-CQSZACIVSA-N 1 0 375.332 2.297 20 0 GEADRO O=S(=O)(CCN1CC[NH2+]CCC12CCC2)c1cccc(Br)c1 ZINC000883458408 653840602 /nfs/dbraw/zinc/84/06/02/653840602.db2.gz IIHSNPLUAQWODK-UHFFFAOYSA-N 1 0 387.343 2.441 20 0 GEADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866874630 653841097 /nfs/dbraw/zinc/84/10/97/653841097.db2.gz SGCUULNYPJUUJH-AWEZNQCLSA-N 1 0 391.940 2.172 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000883473698 653841556 /nfs/dbraw/zinc/84/15/56/653841556.db2.gz JGVAQLJWKFHIHD-GFCCVEGCSA-N 1 0 389.905 2.070 20 0 GEADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccc2ccc(Br)cc2c1 ZINC000883472364 653841584 /nfs/dbraw/zinc/84/15/84/653841584.db2.gz ANGZMNIDCSWVIZ-MRXNPFEDSA-N 1 0 399.310 2.010 20 0 GEADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccc2ccc(Br)cc2c1 ZINC000883472363 653841674 /nfs/dbraw/zinc/84/16/74/653841674.db2.gz ANGZMNIDCSWVIZ-INIZCTEOSA-N 1 0 399.310 2.010 20 0 GEADRO O=C(Nc1ccc(I)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000895585109 653842136 /nfs/dbraw/zinc/84/21/36/653842136.db2.gz WFZMYTBDKAMXPZ-UHFFFAOYSA-N 1 0 386.233 2.341 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000866882757 653842458 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[NH3+]CCCn1cc(-c2nc(Cc3cc(Br)ccc3F)no2)nn1 ZINC000822926395 653846454 /nfs/dbraw/zinc/84/64/54/653846454.db2.gz WPKFDPQFJYQQSR-UHFFFAOYSA-N 1 0 381.209 2.169 20 0 GEADRO COC(=O)[C@]1(O)CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000895702154 653846599 /nfs/dbraw/zinc/84/65/99/653846599.db2.gz IPEHSDIBCOURTB-AWEZNQCLSA-N 1 0 386.271 2.011 20 0 GEADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C1 ZINC000866902526 653846603 /nfs/dbraw/zinc/84/66/03/653846603.db2.gz DTCWRTYNDJMXRU-FYSMJZIKSA-N 1 0 385.555 2.052 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000866908713 653847753 /nfs/dbraw/zinc/84/77/53/653847753.db2.gz OAGRQTJENPYFQR-CQSZACIVSA-N 1 0 387.373 2.379 20 0 GEADRO Cc1cc(Cl)c(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000883623557 653848408 /nfs/dbraw/zinc/84/84/08/653848408.db2.gz YXDGYTHLVAWWFJ-UHFFFAOYSA-N 1 0 378.885 2.395 20 0 GEADRO Fc1cccc(Cc2noc([C@H]3C[NH2+]CCO3)n2)c1I ZINC000822981221 653848476 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CC(C)OCCN1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884225361 653868715 /nfs/dbraw/zinc/86/87/15/653868715.db2.gz PPWYJCPPCLYSEQ-INIZCTEOSA-N 1 0 384.318 2.018 20 0 GEADRO O=C(Nc1cc(Br)ccc1O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884268414 653870033 /nfs/dbraw/zinc/87/00/33/653870033.db2.gz GEZNOWIGUOEEPT-UHFFFAOYSA-N 1 0 377.242 2.212 20 0 GEADRO C[NH+](C)CCCC1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000867036104 653870130 /nfs/dbraw/zinc/87/01/30/653870130.db2.gz RJHITKORROSAJC-XMMPIXPASA-N 1 0 387.571 2.442 20 0 GEADRO O=C(c1nn2c(c1Br)CCC2)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000884294655 653870936 /nfs/dbraw/zinc/87/09/36/653870936.db2.gz HDHXMFVPWWFSBA-QWHCGFSZSA-N 1 0 381.318 2.444 20 0 GEADRO O=C(CCCc1ccc(Br)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000884288776 653870943 /nfs/dbraw/zinc/87/09/43/653870943.db2.gz MXTJNRPMQYIDLX-QGZVFWFLSA-N 1 0 380.330 2.278 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(OC(F)F)c(Br)c1 ZINC000884302065 653871309 /nfs/dbraw/zinc/87/13/09/653871309.db2.gz 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DEKJDPCRRCBVAT-UHFFFAOYSA-N 1 0 381.217 2.359 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000884459661 653877530 /nfs/dbraw/zinc/87/75/30/653877530.db2.gz IHJBGYFKFPNMJH-XEGUGMAKSA-N 1 0 381.270 2.164 20 0 GEADRO COCC[NH+]1CCC(NC(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC000823749712 653878366 /nfs/dbraw/zinc/87/83/66/653878366.db2.gz DABOUYLYDSSEPC-UHFFFAOYSA-N 1 0 387.322 2.241 20 0 GEADRO CCS(=O)(=O)NCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823742032 653878507 /nfs/dbraw/zinc/87/85/07/653878507.db2.gz GCNFYDLKTVRYEJ-HUUCEWRRSA-N 1 0 377.551 2.084 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000896409946 653878747 /nfs/dbraw/zinc/87/87/47/653878747.db2.gz NQLLUQDRZUEVGU-JTQLQIEISA-N 1 0 392.285 2.419 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000793493914 653879368 /nfs/dbraw/zinc/87/93/68/653879368.db2.gz RDIUMVRRTGJFLA-JTQLQIEISA-N 1 0 378.514 2.061 20 0 GEADRO 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[NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000884723940 653886189 /nfs/dbraw/zinc/88/61/89/653886189.db2.gz DMQBRVIEHFDXOK-MWLCHTKSSA-N 1 0 377.794 2.219 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000884727579 653886643 /nfs/dbraw/zinc/88/66/43/653886643.db2.gz WHWMMOWDECZGPK-HZSPNIEDSA-N 1 0 384.307 2.156 20 0 GEADRO C[C@]1(CCNC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)C[C@@]1(F)Cl ZINC000884742324 653887048 /nfs/dbraw/zinc/88/70/48/653887048.db2.gz RKQBPSBXQVWMOT-IRXDYDNUSA-N 1 0 390.286 2.448 20 0 GEADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C[C@@H]3C=CS(=O)(=O)C3)C2)s1 ZINC000846100793 653887374 /nfs/dbraw/zinc/88/73/74/653887374.db2.gz YOSUAQXYXMJHPY-JKSUJKDBSA-N 1 0 382.551 2.285 20 0 GEADRO CCOC(=O)C1(C(F)(F)F)CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000884752018 653887555 /nfs/dbraw/zinc/88/75/55/653887555.db2.gz NPNMVTMBOSDJDX-LBPRGKRZSA-N 1 0 382.448 2.158 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000884786178 653889789 /nfs/dbraw/zinc/88/97/89/653889789.db2.gz LFQKCGQPJOHIDW-DTWKUNHWSA-N 1 0 377.329 2.104 20 0 GEADRO Cc1ccc2[nH]c(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2c1Br ZINC000824297791 653890839 /nfs/dbraw/zinc/89/08/39/653890839.db2.gz HDVMLSXKXSCWCF-NWDGAFQWSA-N 1 0 378.270 2.130 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000846234339 653892479 /nfs/dbraw/zinc/89/24/79/653892479.db2.gz CZQZZNHCPCBEAZ-KGYLQXTDSA-N 1 0 394.324 2.438 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)cnc1Cl)C2 ZINC000846232563 653892488 /nfs/dbraw/zinc/89/24/88/653892488.db2.gz WLQMNIBYWYGSOE-ZANVPECISA-N 1 0 394.722 2.247 20 0 GEADRO Nc1cc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc(Br)n1 ZINC000824366098 653892873 /nfs/dbraw/zinc/89/28/73/653892873.db2.gz WJEUQLDYGDEFSM-UHFFFAOYSA-N 1 0 397.317 2.047 20 0 GEADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(C)[nH]nc2I)C1 ZINC000896735438 653892945 /nfs/dbraw/zinc/89/29/45/653892945.db2.gz ORQMRUKNFFAWLU-NSHDSACASA-N 1 0 390.269 2.127 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)[nH]nc2I)C1 ZINC000896745491 653893199 /nfs/dbraw/zinc/89/31/99/653893199.db2.gz JLIBTOPPYYUPMJ-NSHDSACASA-N 1 0 390.269 2.127 20 0 GEADRO Cc1nonc1CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000846269548 653893807 /nfs/dbraw/zinc/89/38/07/653893807.db2.gz SCIOBIYWPGAPFE-UHFFFAOYSA-N 1 0 396.289 2.320 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000884927606 653895742 /nfs/dbraw/zinc/89/57/42/653895742.db2.gz ITPUWDNEBOOFSB-GFCCVEGCSA-N 1 0 385.277 2.441 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)ccc1F ZINC000884950996 653897466 /nfs/dbraw/zinc/89/74/66/653897466.db2.gz VYMMSTILLAXVLZ-VXGBXAGGSA-N 1 0 377.279 2.493 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1=O ZINC000846587532 653903677 /nfs/dbraw/zinc/90/36/77/653903677.db2.gz LIPZCNGCZBYIKP-SOUVJXGZSA-N 1 0 390.355 2.409 20 0 GEADRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000897015613 653904024 /nfs/dbraw/zinc/90/40/24/653904024.db2.gz JPJWYCJGSVSQQA-TZMCWYRMSA-N 1 0 385.302 2.178 20 0 GEADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(Cl)s1 ZINC000846645566 653905458 /nfs/dbraw/zinc/90/54/58/653905458.db2.gz KHTQRMOVQCSRDP-NSHDSACASA-N 1 0 376.910 2.258 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000846681175 653906330 /nfs/dbraw/zinc/90/63/30/653906330.db2.gz SBLAUALZALIAEV-UHFFFAOYSA-N 1 0 390.285 2.373 20 0 GEADRO C[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000897084268 653907350 /nfs/dbraw/zinc/90/73/50/653907350.db2.gz HFPFYSAPVQEDST-ZDUSSCGKSA-N 1 0 384.318 2.309 20 0 GEADRO CC[N@H+](CCCNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)C1CCCCC1 ZINC000846720297 653907366 /nfs/dbraw/zinc/90/73/66/653907366.db2.gz AOASJJHJVPMFJD-CYBMUJFWSA-N 1 0 378.344 2.457 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000846720360 653907384 /nfs/dbraw/zinc/90/73/84/653907384.db2.gz FXBJTHGTAMGNQP-QZTJIDSGSA-N 1 0 375.916 2.436 20 0 GEADRO C[N@H+](Cc1ccc2nc(NC(=O)NCCS(C)(=O)=O)sc2c1)C1CC1 ZINC000824748226 653907444 /nfs/dbraw/zinc/90/74/44/653907444.db2.gz JGFGVOKCGBGAGU-UHFFFAOYSA-N 1 0 382.511 2.057 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl)c1cccs1 ZINC000846720959 653907679 /nfs/dbraw/zinc/90/76/79/653907679.db2.gz CXIWYSVMCFTOHL-XFBWCDHKSA-N 1 0 375.897 2.288 20 0 GEADRO Cc1cnc(Cl)c(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000885063661 653910055 /nfs/dbraw/zinc/91/00/55/653910055.db2.gz KZMSDRFMZAMAEW-CABCVRRESA-N 1 0 387.933 2.090 20 0 GEADRO CCN(C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)[C@@H]1CC[N@H+](C)C1 ZINC000824842568 653910110 /nfs/dbraw/zinc/91/01/10/653910110.db2.gz WCGKGDRLRLEUBG-YPMHNXCESA-N 1 0 380.286 2.428 20 0 GEADRO Cc1cc(Br)ccc1C[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824896977 653911194 /nfs/dbraw/zinc/91/11/94/653911194.db2.gz IXISUKOWIMHZGS-UHFFFAOYSA-N 1 0 376.316 2.441 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc4nc(Cl)ncc4s3)C2)C1 ZINC000867308305 653913048 /nfs/dbraw/zinc/91/30/48/653913048.db2.gz GTBFUKWUUNVZPP-HNNXBMFYSA-N 1 0 386.930 2.451 20 0 GEADRO C[C@@]1(Br)C[C@H]1C[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000897271904 653913609 /nfs/dbraw/zinc/91/36/09/653913609.db2.gz UNYOPEDMGWWVDK-DZGCQCFKSA-N 1 0 379.364 2.440 20 0 GEADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000885176665 653915261 /nfs/dbraw/zinc/91/52/61/653915261.db2.gz UMFNPSRQLVFBMM-NSHDSACASA-N 1 0 378.270 2.024 20 0 GEADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCc2cc(Br)cc(F)c2C1 ZINC000897307590 653915686 /nfs/dbraw/zinc/91/56/86/653915686.db2.gz RWDKUYWBYFSRHM-AWEZNQCLSA-N 1 0 383.261 2.194 20 0 GEADRO CCn1nc(C)c(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)n1 ZINC000825072175 653916396 /nfs/dbraw/zinc/91/63/96/653916396.db2.gz BZJRCJLBVYRBPS-AWEZNQCLSA-N 1 0 397.317 2.318 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCc1sccc1Br ZINC000885210709 653916899 /nfs/dbraw/zinc/91/68/99/653916899.db2.gz YARMNLSYEDWKIR-LBPRGKRZSA-N 1 0 390.347 2.001 20 0 GEADRO CC[C@H](C)[NH+]1CCN(Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000825098377 653917515 /nfs/dbraw/zinc/91/75/15/653917515.db2.gz HWWPYNOWDLFGSC-DZGCQCFKSA-N 1 0 388.965 2.121 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000825196519 653920408 /nfs/dbraw/zinc/92/04/08/653920408.db2.gz IBKXWYMJUYUCAE-RYUDHWBXSA-N 1 0 387.933 2.274 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000885249591 653920327 /nfs/dbraw/zinc/92/03/27/653920327.db2.gz WOMFMFFFUXDHBQ-HEHGZKQESA-N 1 0 384.307 2.238 20 0 GEADRO C[C@@H](NC(=O)c1c[nH]nc1I)[C@@H](c1ccccc1)[NH+](C)C ZINC000897420667 653920905 /nfs/dbraw/zinc/92/09/05/653920905.db2.gz WVSJXWNCHRMAPH-MFKMUULPSA-N 1 0 398.248 2.436 20 0 GEADRO [NH3+]CC[C@H](NC(=O)/C=C/c1ccc(I)o1)C(F)(F)F ZINC000825202087 653921101 /nfs/dbraw/zinc/92/11/01/653921101.db2.gz PFXBTEVIZUJROX-KHVHVRLGSA-N 1 0 388.127 2.293 20 0 GEADRO C[NH+](C)CCCS(=O)(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000867358438 653921409 /nfs/dbraw/zinc/92/14/09/653921409.db2.gz YAZBBJDRRQKTJV-HNNXBMFYSA-N 1 0 377.551 2.037 20 0 GEADRO COc1cc(Br)ccc1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897444317 653922107 /nfs/dbraw/zinc/92/21/07/653922107.db2.gz BIYVQBFICSMJOP-UHFFFAOYSA-N 1 0 383.286 2.185 20 0 GEADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1nccn2c(Br)cnc12 ZINC000847257446 653922260 /nfs/dbraw/zinc/92/22/60/653922260.db2.gz XEDZDZMLCNJJMU-VXGBXAGGSA-N 1 0 378.274 2.239 20 0 GEADRO C[C@H]1CC[N@H+](CCNC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000897460524 653923044 /nfs/dbraw/zinc/92/30/44/653923044.db2.gz HTSCWZXPPUBMBS-XJKSGUPXSA-N 1 0 384.318 2.466 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897481593 653923739 /nfs/dbraw/zinc/92/37/39/653923739.db2.gz UPMVGKDOMLXVQZ-UONOGXRCSA-N 1 0 384.307 2.395 20 0 GEADRO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897481591 653923875 /nfs/dbraw/zinc/92/38/75/653923875.db2.gz UPMVGKDOMLXVQZ-KBPBESRZSA-N 1 0 384.307 2.395 20 0 GEADRO C[NH+]1CCN(c2ccc(NC(=O)c3cnc(F)c(Br)c3)cn2)CC1 ZINC000847309847 653924265 /nfs/dbraw/zinc/92/42/65/653924265.db2.gz DSYWZPHVKXSPEX-UHFFFAOYSA-N 1 0 394.248 2.382 20 0 GEADRO Cn1nc(C(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1Br ZINC000825331440 653925690 /nfs/dbraw/zinc/92/56/90/653925690.db2.gz FXYQJZBNXJBZNS-UHFFFAOYSA-N 1 0 379.302 2.429 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795049537 653927394 /nfs/dbraw/zinc/92/73/94/653927394.db2.gz JVSAGENYHGXIFO-UHFFFAOYSA-N 1 0 389.315 2.444 20 0 GEADRO COc1cc[nH+]c(N2CCN(C(=O)c3cnc(F)c(Br)c3)CC2)c1 ZINC000847444557 653929029 /nfs/dbraw/zinc/92/90/29/653929029.db2.gz IKPNXUOTKLNSPY-UHFFFAOYSA-N 1 0 395.232 2.349 20 0 GEADRO CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1OC ZINC000897612275 653930583 /nfs/dbraw/zinc/93/05/83/653930583.db2.gz SYUMZVRHWCXASF-YPMHNXCESA-N 1 0 376.906 2.104 20 0 GEADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000885455133 653933521 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COc1cc(C[NH2+][C@@H]2CC23CC(O)C3)cc(I)c1OC ZINC000897851164 653940561 /nfs/dbraw/zinc/94/05/61/653940561.db2.gz QUPBZUGLJORUAR-VROQLPPWSA-N 1 0 389.233 2.311 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000897881581 653941469 /nfs/dbraw/zinc/94/14/69/653941469.db2.gz XXARPILWMKDHCO-GFCCVEGCSA-N 1 0 379.448 2.062 20 0 GEADRO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)N=S1(=O)CCCC1)CC2 ZINC000867525144 653945090 /nfs/dbraw/zinc/94/50/90/653945090.db2.gz OFQNMUAPLSWCGL-UHFFFAOYSA-N 1 0 377.576 2.079 20 0 GEADRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000795334379 653946235 /nfs/dbraw/zinc/94/62/35/653946235.db2.gz MMQMRVNSJAGHIP-XHDPSFHLSA-N 1 0 388.233 2.447 20 0 GEADRO C[N@@H+]1CC[C@H](CCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000847824373 653946448 /nfs/dbraw/zinc/94/64/48/653946448.db2.gz MRRPLEMCLTVIQN-CABCVRRESA-N 1 0 386.539 2.176 20 0 GEADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000847841269 653946643 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COc1ncc(Br)cc1C[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000898052783 653951118 /nfs/dbraw/zinc/95/11/18/653951118.db2.gz LOSFWXHEUHZBJM-MRXNPFEDSA-N 1 0 381.274 2.382 20 0 GEADRO Cc1ccc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c(Br)n1 ZINC000898113840 653954043 /nfs/dbraw/zinc/95/40/43/653954043.db2.gz DRPRTNGGSGIWKY-UHFFFAOYSA-N 1 0 382.302 2.119 20 0 GEADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898121432 653954848 /nfs/dbraw/zinc/95/48/48/653954848.db2.gz PEJVQWYHGGEPNY-UHFFFAOYSA-N 1 0 397.317 2.016 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cn(C(C)(C)C)nc1Br ZINC000848024569 653955499 /nfs/dbraw/zinc/95/54/99/653955499.db2.gz HQUIUZVGDWGPKE-GFCCVEGCSA-N 1 0 389.338 2.223 20 0 GEADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000867582234 653956338 /nfs/dbraw/zinc/95/63/38/653956338.db2.gz QIOPEEAZEGFJNH-UHFFFAOYSA-N 1 0 380.432 2.083 20 0 GEADRO COc1ccc(Br)c(CC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000885875216 653961221 /nfs/dbraw/zinc/96/12/21/653961221.db2.gz 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2.197 20 0 GEADRO O=C(NCc1ncc(Br)cn1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000898391861 653967716 /nfs/dbraw/zinc/96/77/16/653967716.db2.gz GOQVCAWXMOXHJO-WFASDCNBSA-N 1 0 394.317 2.397 20 0 GEADRO CC[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795814395 653968021 /nfs/dbraw/zinc/96/80/21/653968021.db2.gz QXUCFTQLVOINML-CQSZACIVSA-N 1 0 376.906 2.440 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1ncc(Br)cn1 ZINC000898393097 653968117 /nfs/dbraw/zinc/96/81/17/653968117.db2.gz NRKDHSVUFAITTD-UHFFFAOYSA-N 1 0 382.262 2.106 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000867662235 653970105 /nfs/dbraw/zinc/97/01/05/653970105.db2.gz JOYAKAGOFQAUGM-IXDOHACOSA-N 1 0 379.298 2.173 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000898439405 653970694 /nfs/dbraw/zinc/97/06/94/653970694.db2.gz NKXSCOVNBFVXFV-WDEREUQCSA-N 1 0 388.253 2.069 20 0 GEADRO CN(C)c1nc(Cl)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000827064703 653972484 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COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2I)C1 ZINC000898513433 653975227 /nfs/dbraw/zinc/97/52/27/653975227.db2.gz UBMWNOGHYJCZAB-SUNKGSAMSA-N 1 0 389.233 2.256 20 0 GEADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(I)nn1C ZINC000867707755 653975605 /nfs/dbraw/zinc/97/56/05/653975605.db2.gz YISKHTZGANBMCB-UHFFFAOYSA-N 1 0 392.285 2.219 20 0 GEADRO C[C@H](C[NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cccc(Br)c1 ZINC000886283941 653975646 /nfs/dbraw/zinc/97/56/46/653975646.db2.gz KQLSFPODDLILFY-GFCCVEGCSA-N 1 0 390.285 2.126 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)c1F ZINC000848451969 653977146 /nfs/dbraw/zinc/97/71/46/653977146.db2.gz IROYWJGWWAAUFZ-SNVBAGLBSA-N 1 0 378.853 2.028 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC([NH+]2CCCC2)C1 ZINC000898614292 653978287 /nfs/dbraw/zinc/97/82/87/653978287.db2.gz IDKCFBVEUTVWCR-UHFFFAOYSA-N 1 0 377.901 2.194 20 0 GEADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CC([NH+]2CCCC2)C1 ZINC000898613382 653978382 /nfs/dbraw/zinc/97/83/82/653978382.db2.gz FOSFZVHCCJQEGE-UHFFFAOYSA-N 1 0 398.276 2.015 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]CC2CCC3(CC2)OCCO3)c(C)s1 ZINC000795941539 653978770 /nfs/dbraw/zinc/97/87/70/653978770.db2.gz HGHOLHMKHIYCNO-UHFFFAOYSA-N 1 0 388.555 2.166 20 0 GEADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c(Br)n1 ZINC000898673439 653979745 /nfs/dbraw/zinc/97/97/45/653979745.db2.gz QKJBONZWEAHGJD-UHFFFAOYSA-N 1 0 392.301 2.220 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(I)cc3O)CC[C@H]21 ZINC000827216887 653981666 /nfs/dbraw/zinc/98/16/66/653981666.db2.gz FWIXHPFZHSZQFK-GXFFZTMASA-N 1 0 386.233 2.163 20 0 GEADRO Brc1cnc2n1C[C@@H]([NH2+]C1CCN(C[C@H]3CCCO3)CC1)CC2 ZINC000898720308 653982061 /nfs/dbraw/zinc/98/20/61/653982061.db2.gz LWMHRWDZHGEKBU-LSDHHAIUSA-N 1 0 383.334 2.193 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3S(=O)(=O)C(F)(F)F)CC[C@H]21 ZINC000827253806 653983120 /nfs/dbraw/zinc/98/31/20/653983120.db2.gz LIEMDGCMIVADMB-DGCLKSJQSA-N 1 0 376.400 2.146 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3S(=O)(=O)C(F)(F)F)CC[C@@H]21 ZINC000827253805 653983267 /nfs/dbraw/zinc/98/32/67/653983267.db2.gz LIEMDGCMIVADMB-AAEUAGOBSA-N 1 0 376.400 2.146 20 0 GEADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)CC[C@@H]21 ZINC000827256406 653983394 /nfs/dbraw/zinc/98/33/94/653983394.db2.gz WLZXKMRFLFZRMN-ZANVPECISA-N 1 0 379.258 2.197 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(I)ccc3O)CC[C@H]21 ZINC000827288149 653985025 /nfs/dbraw/zinc/98/50/25/653985025.db2.gz MRPHUQUJPZWYIE-ZWNOBZJWSA-N 1 0 386.233 2.163 20 0 GEADRO Cc1c(Br)cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c(=O)n1C ZINC000898830118 653987681 /nfs/dbraw/zinc/98/76/81/653987681.db2.gz CCZJCQWBGMZKKV-ZIAGYGMSSA-N 1 0 382.302 2.059 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000827367719 653988225 /nfs/dbraw/zinc/98/82/25/653988225.db2.gz XVPRNEXZWAVCQH-ZBFHGGJFSA-N 1 0 394.313 2.122 20 0 GEADRO COC(=O)[C@@H]1CN(C(=S)NCCC[NH+](C)C)C[C@H]1c1ccc(Cl)cc1 ZINC000848646243 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C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)CC[C@@H]21 ZINC000899179890 654002996 /nfs/dbraw/zinc/00/29/96/654002996.db2.gz SXKJKXHKVVJDFR-KCXAZCMYSA-N 1 0 393.281 2.083 20 0 GEADRO CCOCCCNC(=[NH2+])NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000849002275 654003073 /nfs/dbraw/zinc/00/30/73/654003073.db2.gz YSKVKPDMWFHCSQ-UHFFFAOYSA-N 1 0 381.420 2.149 20 0 GEADRO COCCNC(=[NH2+])NCc1cc(Cl)c(I)cc1OC ZINC000849093451 654003853 /nfs/dbraw/zinc/00/38/53/654003853.db2.gz RSCXDCHZZNMJRR-UHFFFAOYSA-N 1 0 397.644 2.214 20 0 GEADRO C[N@H+](CC(=O)NC1(c2ncc(Br)cn2)CCC1)[C@@H]1CCSC1 ZINC000886839189 654004310 /nfs/dbraw/zinc/00/43/10/654004310.db2.gz XIGXSAZQVMWLRB-GFCCVEGCSA-N 1 0 385.331 2.172 20 0 GEADRO NS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)s1 ZINC000849107070 654004327 /nfs/dbraw/zinc/00/43/27/654004327.db2.gz FCBSZTGMCJIZLS-UHFFFAOYSA-N 1 0 394.400 2.431 20 0 GEADRO CCCCCCNC(=[NH2+])NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000849108156 654004700 /nfs/dbraw/zinc/00/47/00/654004700.db2.gz 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654007751 /nfs/dbraw/zinc/00/77/51/654007751.db2.gz IVFLBHHPKOCXDM-SNPRPXQTSA-N 1 0 382.302 2.212 20 0 GEADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1F ZINC000886897617 654007840 /nfs/dbraw/zinc/00/78/40/654007840.db2.gz CGNSZSUNBLFYMK-VIFPVBQESA-N 1 0 376.322 2.368 20 0 GEADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886898145 654008168 /nfs/dbraw/zinc/00/81/68/654008168.db2.gz SFRLEHLZMVIXMI-NSHDSACASA-N 1 0 380.844 2.456 20 0 GEADRO Cc1cc(Br)ccc1CS(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886899020 654008401 /nfs/dbraw/zinc/00/84/01/654008401.db2.gz ABPBPNWIPSLNRW-GFCCVEGCSA-N 1 0 397.285 2.422 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886900565 654008691 /nfs/dbraw/zinc/00/86/91/654008691.db2.gz BFXMTUZRMUQXNC-KRWDZBQOSA-N 1 0 386.901 2.281 20 0 GEADRO COC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000886905188 654009044 /nfs/dbraw/zinc/00/90/44/654009044.db2.gz BAUHYWZZPNXUEA-KMFMINBZSA-N 1 0 388.302 2.220 20 0 GEADRO CC(C)C(=O)NC1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000867961191 654011123 /nfs/dbraw/zinc/01/11/23/654011123.db2.gz TUZWCRZOVDZXAZ-OAHLLOKOSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)n1ncc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1I ZINC000867968037 654011700 /nfs/dbraw/zinc/01/17/00/654011700.db2.gz VDKCJAFPFZYVDI-AWEZNQCLSA-N 1 0 390.269 2.188 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1cccc(Br)c1 ZINC000867971577 654011945 /nfs/dbraw/zinc/01/19/45/654011945.db2.gz RYBSRJBHQOMMFU-TZCMFKBTSA-N 1 0 382.302 2.129 20 0 GEADRO [NH3+]CCCOCCNC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886984396 654012349 /nfs/dbraw/zinc/01/23/49/654012349.db2.gz YXNFIHKKTUURNS-UHFFFAOYSA-N 1 0 394.269 2.022 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C[C@H]1[NH3+] ZINC000886983946 654012367 /nfs/dbraw/zinc/01/23/67/654012367.db2.gz LZLNTQDQVAOZNE-MEBBXXQBSA-N 1 0 376.254 2.346 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c1I ZINC000867978849 654012732 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CC(=O)N[C@H](C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21)c1cccc(Br)c1 ZINC000868036917 654015413 /nfs/dbraw/zinc/01/54/13/654015413.db2.gz LMQXHEPOUAFIRC-UAGQMJEPSA-N 1 0 394.313 2.227 20 0 GEADRO COCCC1(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC[NH2+]CC1 ZINC000868039700 654015468 /nfs/dbraw/zinc/01/54/68/654015468.db2.gz HULFHJBTSLGOII-UHFFFAOYSA-N 1 0 385.295 2.459 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000887042275 654016210 /nfs/dbraw/zinc/01/62/10/654016210.db2.gz SKPDUTAEILWELM-KRWDZBQOSA-N 1 0 395.301 2.083 20 0 GEADRO [NH3+]Cc1cc(F)cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 ZINC000868068072 654016787 /nfs/dbraw/zinc/01/67/87/654016787.db2.gz GSUFWNQRAJZROC-CQSZACIVSA-N 1 0 383.470 2.138 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Br)ncc1F ZINC000797096697 654017912 /nfs/dbraw/zinc/01/79/12/654017912.db2.gz PVMOAEQDLZXSIV-GHMZBOCLSA-N 1 0 394.310 2.448 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCc2ccc3c(c2)OCO3)s1 ZINC000887093305 654019999 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20 0 GEADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)C[C@]2(C)C1 ZINC000887922991 654058787 /nfs/dbraw/zinc/05/87/87/654058787.db2.gz JFYLKMHZMILATK-DOMZBBRYSA-N 1 0 376.400 2.004 20 0 GEADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)CC(C)C ZINC000798326622 654059215 /nfs/dbraw/zinc/05/92/15/654059215.db2.gz JGBLCWOIKFRTJG-AWEZNQCLSA-N 1 0 389.949 2.474 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C(F)(F)F)n1 ZINC000887934678 654059564 /nfs/dbraw/zinc/05/95/64/654059564.db2.gz QLVQAHIUBSWEKZ-BYCMXARLSA-N 1 0 377.432 2.002 20 0 GEADRO CC(C)[NH+]1CCN(CCCC(=O)Nc2cc(Br)c[nH]c2=O)CC1 ZINC000900377272 654061374 /nfs/dbraw/zinc/06/13/74/654061374.db2.gz NWUOOZNUECXPPU-UHFFFAOYSA-N 1 0 385.306 2.294 20 0 GEADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2csc(I)n2)C1 ZINC000829201131 654062199 /nfs/dbraw/zinc/06/21/99/654062199.db2.gz CWVYAOCPEPNYLE-VIFPVBQESA-N 1 0 379.267 2.304 20 0 GEADRO O=C([C@@H](O)c1cccc(Br)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000900419751 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C[C@@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000900809898 654082017 /nfs/dbraw/zinc/08/20/17/654082017.db2.gz FIQUJIYUBWGZGY-MFKMUULPSA-N 1 0 378.826 2.047 20 0 GEADRO O=C(NCC[C@@H](NC1CC1)C(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000900814433 654082469 /nfs/dbraw/zinc/08/24/69/654082469.db2.gz FOCALEBEHHACLN-HUUCEWRRSA-N 1 0 379.492 2.393 20 0 GEADRO O=C(NCC[C@@H](NC1CC1)C(F)(F)F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000900814434 654082526 /nfs/dbraw/zinc/08/25/26/654082526.db2.gz FOCALEBEHHACLN-LSDHHAIUSA-N 1 0 379.492 2.393 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000900820823 654082833 /nfs/dbraw/zinc/08/28/33/654082833.db2.gz VMRVELRHPLZWLU-GOSISDBHSA-N 1 0 381.314 2.444 20 0 GEADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CC2SCCS2)CCN1C(=O)OC(C)(C)C ZINC000850560047 654083257 /nfs/dbraw/zinc/08/32/57/654083257.db2.gz HZJXHOVOMCOWLD-AAEUAGOBSA-N 1 0 376.544 2.323 20 0 GEADRO CCN(C(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000850583220 654083536 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CC1CCC([NH+]2CCN(C(=O)C(=O)NCCC3SCCS3)CC2)CC1 ZINC000850641676 654090439 /nfs/dbraw/zinc/09/04/39/654090439.db2.gz PCEJCOAUAHOSCH-UHFFFAOYSA-N 1 0 385.599 2.022 20 0 GEADRO O=C(Nc1ccc(Br)nc1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850653722 654091275 /nfs/dbraw/zinc/09/12/75/654091275.db2.gz CQPPDYCGNKCOFU-ZDUSSCGKSA-N 1 0 395.301 2.306 20 0 GEADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cnn2cccc(Br)c12 ZINC000830021111 654093279 /nfs/dbraw/zinc/09/32/79/654093279.db2.gz GXWZJBROJAIBHD-KBPBESRZSA-N 1 0 395.326 2.406 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000888585643 654093918 /nfs/dbraw/zinc/09/39/18/654093918.db2.gz OMPBBTBWCUEHFN-UHFFFAOYSA-N 1 0 375.420 2.496 20 0 GEADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1noc(C(F)(F)F)n1 ZINC000916399556 654094090 /nfs/dbraw/zinc/09/40/90/654094090.db2.gz RFNRIEZNFFYSRF-SECBINFHSA-N 1 0 378.376 2.190 20 0 GEADRO C[C@H](CNC(=O)c1ccnn1CC[NH+](C)C)Oc1ccccc1Br ZINC000900955229 654099188 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O=C(Nc1cccnc1Br)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000850829337 654108331 /nfs/dbraw/zinc/10/83/31/654108331.db2.gz IVWBFBPGPGYISU-CYBMUJFWSA-N 1 0 395.301 2.021 20 0 GEADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000916835809 654110001 /nfs/dbraw/zinc/11/00/01/654110001.db2.gz DTNXDEPOCHHUSU-CYBMUJFWSA-N 1 0 384.322 2.166 20 0 GEADRO C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000901139267 654111492 /nfs/dbraw/zinc/11/14/92/654111492.db2.gz PQLTUMLHPMOXCF-JECHBYEQSA-N 1 0 375.296 2.378 20 0 GEADRO O=S(=O)(c1c[nH]nc1Cl)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000830343762 654111812 /nfs/dbraw/zinc/11/18/12/654111812.db2.gz GFDCOCCXGSJDAB-UHFFFAOYSA-N 1 0 382.917 2.392 20 0 GEADRO O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000830357932 654112721 /nfs/dbraw/zinc/11/27/21/654112721.db2.gz ZAPOALWCVQEHOF-JTQLQIEISA-N 1 0 394.722 2.356 20 0 GEADRO C[NH+](C)CCCCC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000869659641 654112982 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CN1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC[N@H+](C)CC1 ZINC000888979431 654117448 /nfs/dbraw/zinc/11/74/48/654117448.db2.gz SMZUOFOWXIRCCH-FGTMMUONSA-N 1 0 392.341 2.041 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000901297835 654119257 /nfs/dbraw/zinc/11/92/57/654119257.db2.gz DXIKVAVYZSVJOE-QGZVFWFLSA-N 1 0 398.345 2.015 20 0 GEADRO CN1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC[N@H+](C)CC1 ZINC000888997067 654119598 /nfs/dbraw/zinc/11/95/98/654119598.db2.gz RNKXDDSDLXUKNA-UHFFFAOYSA-N 1 0 380.330 2.187 20 0 GEADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901321027 654119855 /nfs/dbraw/zinc/11/98/55/654119855.db2.gz DRATXPXDJILLRR-JIRONKKISA-N 1 0 385.302 2.096 20 0 GEADRO Cc1c(Br)cncc1C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000851000384 654121067 /nfs/dbraw/zinc/12/10/67/654121067.db2.gz UMZDROANNFVBIP-LLVKDONJSA-N 1 0 392.257 2.351 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC000901347463 654121088 /nfs/dbraw/zinc/12/10/88/654121088.db2.gz XLCUZIWAJGRHHD-UHFFFAOYSA-N 1 0 394.313 2.436 20 0 GEADRO COCCOc1ccc(Br)cc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000901356439 654122030 /nfs/dbraw/zinc/12/20/30/654122030.db2.gz XZEMPSHOMIOVJC-CQSZACIVSA-N 1 0 399.285 2.134 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2noc3ccc(Br)cc23)C1 ZINC000869776886 654122363 /nfs/dbraw/zinc/12/23/63/654122363.db2.gz ZWDCLWQAXWJVJI-LBPRGKRZSA-N 1 0 396.285 2.094 20 0 GEADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ncc2Cl)C1 ZINC000869778186 654122658 /nfs/dbraw/zinc/12/26/58/654122658.db2.gz AJUYJWSQXULBOF-VIFPVBQESA-N 1 0 376.682 2.073 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000917535239 654127042 /nfs/dbraw/zinc/12/70/42/654127042.db2.gz BBYDMWPKNIHWRN-UHFFFAOYSA-N 1 0 378.897 2.134 20 0 GEADRO Cn1nc(C(F)(F)F)c(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1Cl ZINC000889205260 654130860 /nfs/dbraw/zinc/13/08/60/654130860.db2.gz IQXROFWODQYQNT-VIFPVBQESA-N 1 0 383.802 2.061 20 0 GEADRO O=C(CN1C(=O)COc2cc(Br)ccc21)OCCC[NH+]1CCCC1 ZINC000800135688 654131353 /nfs/dbraw/zinc/13/13/53/654131353.db2.gz GZCNHGIGCFFKQL-UHFFFAOYSA-N 1 0 397.269 2.204 20 0 GEADRO C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889208739 654131373 /nfs/dbraw/zinc/13/13/73/654131373.db2.gz SPDGZKXGCOPKTR-DTWKUNHWSA-N 1 0 383.802 2.011 20 0 GEADRO C[NH+]1CCC2(CCN2C(=O)c2nscc2I)CC1 ZINC000889221568 654132978 /nfs/dbraw/zinc/13/29/78/654132978.db2.gz JRFYSHOXTBOUEO-UHFFFAOYSA-N 1 0 377.251 2.058 20 0 GEADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000901606445 654134293 /nfs/dbraw/zinc/13/42/93/654134293.db2.gz FLPZMMGRBMBTMS-LSDHHAIUSA-N 1 0 383.286 2.293 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2nn3c(c2Br)CCC3)C1 ZINC000889329811 654136956 /nfs/dbraw/zinc/13/69/56/654136956.db2.gz HZFNQVCYIRLNQP-CYBMUJFWSA-N 1 0 399.333 2.165 20 0 GEADRO COCC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCC1 ZINC000800278230 654139652 /nfs/dbraw/zinc/13/96/52/654139652.db2.gz PGYASSIHCAIBQJ-ZDUSSCGKSA-N 1 0 375.922 2.111 20 0 GEADRO Cn1nc(Br)cc1C[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000800312937 654140504 /nfs/dbraw/zinc/14/05/04/654140504.db2.gz XDGDIQAPIIFVLJ-HJWRWDBZSA-N 1 0 377.286 2.492 20 0 GEADRO CN(CC[N@H+](C)C[C@]1(C)CC1(Cl)Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000830774716 654141751 /nfs/dbraw/zinc/14/17/51/654141751.db2.gz WIYRRDDNCFQZAS-AWEZNQCLSA-N 1 0 380.341 2.286 20 0 GEADRO COc1ccc2c(c1)CCC(S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1)=C2 ZINC000830778631 654141805 /nfs/dbraw/zinc/14/18/05/654141805.db2.gz LSDFHDUITISXRG-SFHVURJKSA-N 1 0 382.551 2.339 20 0 GEADRO O=C1[C@@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)CCN1c1ccc(F)cc1 ZINC000901727155 654143629 /nfs/dbraw/zinc/14/36/29/654143629.db2.gz CVRNYIZUPXYIPI-OCCSQVGLSA-N 1 0 393.260 2.495 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NCc1ccccc1F ZINC000901728900 654143967 /nfs/dbraw/zinc/14/39/67/654143967.db2.gz OUDPVNZWDSVJJT-DGCLKSJQSA-N 1 0 395.276 2.394 20 0 GEADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NCCc1cccs1 ZINC000901728164 654143988 /nfs/dbraw/zinc/14/39/88/654143988.db2.gz LPYWHEHDGSHVHC-NEPJUHHUSA-N 1 0 397.342 2.359 20 0 GEADRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901730406 654144434 /nfs/dbraw/zinc/14/44/34/654144434.db2.gz XBEPCDABZSIHMW-VXGBXAGGSA-N 1 0 395.305 2.355 20 0 GEADRO O=S(=O)(CC[NH2+]C1CCC(O)(C(F)(F)F)CC1)CCc1ccccc1 ZINC000800502762 654147520 /nfs/dbraw/zinc/14/75/20/654147520.db2.gz GKXOIBOIBRKKCI-UHFFFAOYSA-N 1 0 379.444 2.470 20 0 GEADRO C[NH+]1CCC(CNC(=O)Cn2cc(Br)cn2)(c2ccccc2)CC1 ZINC000870191351 654148376 /nfs/dbraw/zinc/14/83/76/654148376.db2.gz UDTRASZVBZJQOK-UHFFFAOYSA-N 1 0 391.313 2.425 20 0 GEADRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)Cc3ncsc3Br)C[C@]2(C)C1 ZINC000918369538 654149568 /nfs/dbraw/zinc/14/95/68/654149568.db2.gz SIBWBMPYHJMKRC-BETUJISGSA-N 1 0 394.360 2.009 20 0 GEADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000918693607 654158085 /nfs/dbraw/zinc/15/80/85/654158085.db2.gz LPWHNIMJOBGFKU-AWEZNQCLSA-N 1 0 376.328 2.021 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000800801582 654158437 /nfs/dbraw/zinc/15/84/37/654158437.db2.gz FEIWHDLKLDNSNB-CQSZACIVSA-N 1 0 377.286 2.495 20 0 GEADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000800905400 654165286 /nfs/dbraw/zinc/16/52/86/654165286.db2.gz XGTPIQCKNSBWKB-KGLIPLIRSA-N 1 0 378.416 2.155 20 0 GEADRO COc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889744818 654165663 /nfs/dbraw/zinc/16/56/63/654165663.db2.gz PLRKWVDNLRUZGO-HUUCEWRRSA-N 1 0 383.286 2.129 20 0 GEADRO O=C(c1cnc(CCC(F)(F)F)s1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889740107 654165855 /nfs/dbraw/zinc/16/58/55/654165855.db2.gz TZOAZVMJEUIRKJ-NEPJUHHUSA-N 1 0 377.432 2.309 20 0 GEADRO C[C@@]1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1(Br)Br ZINC000851635138 654166606 /nfs/dbraw/zinc/16/66/06/654166606.db2.gz IYANMEZVZFFSND-RYUDHWBXSA-N 1 0 380.124 2.485 20 0 GEADRO C[C@@H]1CCN(C(=O)c2ccc3ncc(I)n3c2)[C@H](C[NH3+])C1 ZINC000851646804 654167539 /nfs/dbraw/zinc/16/75/39/654167539.db2.gz MDYLBCQZQDIPKB-PWSUYJOCSA-N 1 0 398.248 2.138 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000889752327 654167718 /nfs/dbraw/zinc/16/77/18/654167718.db2.gz UVQBIMCGCJVNSO-IAGOWNOFSA-N 1 0 396.329 2.186 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000851660453 654168104 /nfs/dbraw/zinc/16/81/04/654168104.db2.gz PNGIHQUMCCBQKP-AWEZNQCLSA-N 1 0 384.322 2.067 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851669026 654168568 /nfs/dbraw/zinc/16/85/68/654168568.db2.gz VKAGICFLQOPLEK-LOKLDPHHSA-N 1 0 383.128 2.260 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)CONC(=O)c2cccc(Br)c2)CC1 ZINC000902230756 654168684 /nfs/dbraw/zinc/16/86/84/654168684.db2.gz LKZRGKNJLYXHNB-UHFFFAOYSA-N 1 0 398.301 2.100 20 0 GEADRO Cc1c(Br)cccc1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889757693 654168842 /nfs/dbraw/zinc/16/88/42/654168842.db2.gz UVGDMWLAWVEPGP-IAGOWNOFSA-N 1 0 381.314 2.358 20 0 GEADRO O=C(c1cc(Br)ncc1Cl)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756942 654168946 /nfs/dbraw/zinc/16/89/46/654168946.db2.gz PVMDCWUWFVCVMA-QWHCGFSZSA-N 1 0 388.693 2.169 20 0 GEADRO Cc1cc(Br)ccc1CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889761563 654169519 /nfs/dbraw/zinc/16/95/19/654169519.db2.gz LPZCKVTYFPDDHM-DLBZAZTESA-N 1 0 381.314 2.358 20 0 GEADRO O=C(c1cccnc1SC(F)(F)F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889776348 654171837 /nfs/dbraw/zinc/17/18/37/654171837.db2.gz ZRGIHYBVCQMSIO-QWHCGFSZSA-N 1 0 375.416 2.365 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000851715717 654171887 /nfs/dbraw/zinc/17/18/87/654171887.db2.gz BQSMOYYTVPJGOD-HNNXBMFYSA-N 1 0 377.447 2.154 20 0 GEADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000831218195 654172022 /nfs/dbraw/zinc/17/20/22/654172022.db2.gz WQYAUNDBTRQQKC-NXEZZACHSA-N 1 0 391.335 2.024 20 0 GEADRO O=C(Cc1csc(-c2cccs2)n1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889779612 654172395 /nfs/dbraw/zinc/17/23/95/654172395.db2.gz GCEVHOCAXHPPLX-CABCVRRESA-N 1 0 377.535 2.472 20 0 GEADRO CCN1C[C@@H](C[N@H+](C)CCn2cnc(Br)n2)Oc2ccccc21 ZINC000851718450 654172367 /nfs/dbraw/zinc/17/23/67/654172367.db2.gz XUCFQDWLBAJEPH-CYBMUJFWSA-N 1 0 380.290 2.260 20 0 GEADRO O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@]1(F)CC[NH2+]C1 ZINC000831236060 654173508 /nfs/dbraw/zinc/17/35/08/654173508.db2.gz RUOPKJNADMJGEY-YGRLFVJLSA-N 1 0 380.773 2.150 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2nn(C)cc2I)C1 ZINC000870439119 654174307 /nfs/dbraw/zinc/17/43/07/654174307.db2.gz GDRSMQWIZDHUCZ-LLVKDONJSA-N 1 0 391.253 2.302 20 0 GEADRO O=C(Nc1cccc(F)c1Br)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000889806691 654174765 /nfs/dbraw/zinc/17/47/65/654174765.db2.gz LUQVANAZPZQSHH-WCQYABFASA-N 1 0 384.249 2.270 20 0 GEADRO Cn1nc(I)cc1C(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000870451335 654175265 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O=C(c1cc(Br)cn2ncnc12)N1CCC([NH2+]C2CCC2)CC1 ZINC000889820606 654181071 /nfs/dbraw/zinc/18/10/71/654181071.db2.gz KJNHZASBNPUAPT-UHFFFAOYSA-N 1 0 378.274 2.239 20 0 GEADRO O=C(Nc1cccc(F)c1Br)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000889908298 654186578 /nfs/dbraw/zinc/18/65/78/654186578.db2.gz IRAWZKCDEBBBFG-LLVKDONJSA-N 1 0 384.249 2.127 20 0 GEADRO C[NH+]1CCN(c2ccnc(NC(=O)c3cnc(F)c(Br)c3)c2)CC1 ZINC000870665553 654187486 /nfs/dbraw/zinc/18/74/86/654187486.db2.gz YWMFEQARGBMIJE-UHFFFAOYSA-N 1 0 394.248 2.382 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000851842925 654189867 /nfs/dbraw/zinc/18/98/67/654189867.db2.gz UCODTARIPRNHHT-NEPJUHHUSA-N 1 0 377.403 2.131 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cn1nc(Cc2cccs2)oc1=S ZINC000902643038 654190269 /nfs/dbraw/zinc/19/02/69/654190269.db2.gz KDNRIRMXORQVDR-CABCVRRESA-N 1 0 380.539 2.346 20 0 GEADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)s1 ZINC000831569557 654191841 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CCO[C@H](CNC(=O)c1cccc(F)c1I)C[NH+](C)C ZINC000831739292 654205368 /nfs/dbraw/zinc/20/53/68/654205368.db2.gz VNWKAGSGQSYLPQ-SNVBAGLBSA-N 1 0 394.228 2.127 20 0 GEADRO Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1C ZINC000920265721 654206736 /nfs/dbraw/zinc/20/67/36/654206736.db2.gz JAWIAEWZRPBLQP-LMSBXDPUSA-N 1 0 386.583 2.431 20 0 GEADRO CCc1nn(C)c(Cl)c1C[NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000801735014 654207077 /nfs/dbraw/zinc/20/70/77/654207077.db2.gz NLHRAASGXHCQJJ-ZDUSSCGKSA-N 1 0 384.933 2.483 20 0 GEADRO COc1cc(I)ccc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000870914463 654207443 /nfs/dbraw/zinc/20/74/43/654207443.db2.gz NUQXRIQSCVUQRV-GXFFZTMASA-N 1 0 386.233 2.124 20 0 GEADRO Cn1cc([C@H]([NH2+]CCn2cnc(Br)n2)c2ccc(F)cc2)cn1 ZINC000851949626 654207734 /nfs/dbraw/zinc/20/77/34/654207734.db2.gz UOSJLZUACWLVQV-CQSZACIVSA-N 1 0 379.237 2.292 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1F)C2 ZINC000920274710 654207882 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NC(=O)[C@](O)(C[NH2+][C@H]1CCOc2c(Br)cccc21)c1ccccc1 ZINC000852015474 654213309 /nfs/dbraw/zinc/21/33/09/654213309.db2.gz LKAHAYANHIOAKX-YJBOKZPZSA-N 1 0 391.265 2.235 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000870959564 654214476 /nfs/dbraw/zinc/21/44/76/654214476.db2.gz MSRHYWHKAXGPPV-UHFFFAOYSA-N 1 0 384.318 2.238 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985884 654215161 /nfs/dbraw/zinc/21/51/61/654215161.db2.gz KBQJFBCMEYIPHY-NXEZZACHSA-N 1 0 388.331 2.133 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903079436 654215244 /nfs/dbraw/zinc/21/52/44/654215244.db2.gz AOXGOMDFBQVQDZ-MRVPVSSYSA-N 1 0 392.321 2.309 20 0 GEADRO COC[C@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1cccc(Br)c1 ZINC000871009102 654215828 /nfs/dbraw/zinc/21/58/28/654215828.db2.gz BRTNPSJFQMZXLA-WBMJQRKESA-N 1 0 393.285 2.367 20 0 GEADRO C[C@H](NC(=O)c1csc(I)n1)C1=CC[N@H+](C)CC1 ZINC000831938114 654219348 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20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000903203066 654225988 /nfs/dbraw/zinc/22/59/88/654225988.db2.gz NFMUIJXIIIQZGN-UHFFFAOYSA-N 1 0 389.315 2.317 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000871359447 654228816 /nfs/dbraw/zinc/22/88/16/654228816.db2.gz HBSXBHMECCIYRC-UHFFFAOYSA-N 1 0 380.290 2.485 20 0 GEADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000903226346 654228801 /nfs/dbraw/zinc/22/88/01/654228801.db2.gz LKVBQUOWBWCXRJ-OAHLLOKOSA-N 1 0 378.947 2.308 20 0 GEADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000903228037 654229444 /nfs/dbraw/zinc/22/94/44/654229444.db2.gz YKLPNTGOAZQJQY-OAHLLOKOSA-N 1 0 387.502 2.331 20 0 GEADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903230325 654230647 /nfs/dbraw/zinc/23/06/47/654230647.db2.gz ZQWLRYOFVCJLJY-LLVKDONJSA-N 1 0 386.461 2.283 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903272607 654231961 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2.455 20 0 GEADRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Br)cc2F)CCS(=O)(=O)C1 ZINC000903361762 654235247 /nfs/dbraw/zinc/23/52/47/654235247.db2.gz AUXUDSFSZJIHHE-QMTHXVAHSA-N 1 0 380.279 2.443 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)c(Br)c1 ZINC000903365189 654235861 /nfs/dbraw/zinc/23/58/61/654235861.db2.gz JIRHGOQTPNIYOM-ABAIWWIYSA-N 1 0 392.315 2.312 20 0 GEADRO CO[C@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2F)CCS(=O)(=O)C1 ZINC000903366227 654236076 /nfs/dbraw/zinc/23/60/76/654236076.db2.gz CKFSGVLVFIUPJA-HZMBPMFUSA-N 1 0 380.279 2.443 20 0 GEADRO CO[C@]1(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000903368380 654236529 /nfs/dbraw/zinc/23/65/29/654236529.db2.gz NJTUEHVOCAAOSO-DOMZBBRYSA-N 1 0 381.416 2.482 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)ccc1OC(F)F ZINC000903367392 654236583 /nfs/dbraw/zinc/23/65/83/654236583.db2.gz INFJBFBRZVTULR-BZNIZROVSA-N 1 0 379.425 2.151 20 0 GEADRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000903368382 654236781 /nfs/dbraw/zinc/23/67/81/654236781.db2.gz NJTUEHVOCAAOSO-IUODEOHRSA-N 1 0 381.416 2.482 20 0 GEADRO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903386853 654237521 /nfs/dbraw/zinc/23/75/21/654237521.db2.gz BNCJZGLNEHCAEG-LSDHHAIUSA-N 1 0 387.933 2.300 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903413339 654238659 /nfs/dbraw/zinc/23/86/59/654238659.db2.gz KYJMTHWEUFVJOR-CKEIUWERSA-N 1 0 386.539 2.418 20 0 GEADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1sccc1OC)CCS2(=O)=O ZINC000903451544 654239410 /nfs/dbraw/zinc/23/94/10/654239410.db2.gz GXNOSZJGMZVMOH-QGXCKBJSSA-N 1 0 387.523 2.306 20 0 GEADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cccc(-n2cnnn2)c1 ZINC000903480041 654240387 /nfs/dbraw/zinc/24/03/87/654240387.db2.gz UTAZXWFFKLVXRQ-AAEUAGOBSA-N 1 0 388.273 2.287 20 0 GEADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(I)s1 ZINC000903500847 654242474 /nfs/dbraw/zinc/24/24/74/654242474.db2.gz ZQWDLJRTHFCIEP-MRVPVSSYSA-N 1 0 388.296 2.149 20 0 GEADRO CS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472807 654243785 /nfs/dbraw/zinc/24/37/85/654243785.db2.gz GMCFTUFBLOWANN-KBPBESRZSA-N 1 0 384.464 2.077 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccs1 ZINC000871626046 654247783 /nfs/dbraw/zinc/24/77/83/654247783.db2.gz VGKUKBZKGXBFDD-JALIKCBVSA-N 1 0 385.555 2.006 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1F ZINC000903522541 654248555 /nfs/dbraw/zinc/24/85/55/654248555.db2.gz RDCZMJPVGFPYIJ-BDAKNGLRSA-N 1 0 381.267 2.003 20 0 GEADRO O=C(N1CCC[C@H](C2CC[NH+](C[C@H](O)C(F)(F)F)CC2)C1)C(F)(F)F ZINC000852600047 654248744 /nfs/dbraw/zinc/24/87/44/654248744.db2.gz BXJSHDQYLSAWMY-RYUDHWBXSA-N 1 0 376.341 2.423 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000903528747 654250336 /nfs/dbraw/zinc/25/03/36/654250336.db2.gz STZJUCUCICYAAK-AWEZNQCLSA-N 1 0 375.332 2.297 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903536055 654251040 /nfs/dbraw/zinc/25/10/40/654251040.db2.gz ADXZFDHPUOQFAD-IAQYHMDHSA-N 1 0 389.315 2.350 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903538769 654251921 /nfs/dbraw/zinc/25/19/21/654251921.db2.gz BGBDIHMHABPXBU-XHDPSFHLSA-N 1 0 389.315 2.350 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903540559 654252183 /nfs/dbraw/zinc/25/21/83/654252183.db2.gz WUNWRDFRGISXIG-WOPDTQHZSA-N 1 0 380.208 2.187 20 0 GEADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903540557 654252231 /nfs/dbraw/zinc/25/22/31/654252231.db2.gz WUNWRDFRGISXIG-TUAOUCFPSA-N 1 0 380.208 2.187 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)cc2s1 ZINC000903544627 654252957 /nfs/dbraw/zinc/25/29/57/654252957.db2.gz CFFSZDRGPXOCIZ-CYBMUJFWSA-N 1 0 381.523 2.042 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000903546874 654253409 /nfs/dbraw/zinc/25/34/09/654253409.db2.gz CFEOEPAFCYSNMY-RKDXNWHRSA-N 1 0 382.711 2.021 20 0 GEADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1C(F)(F)F ZINC000903547335 654253674 /nfs/dbraw/zinc/25/36/74/654253674.db2.gz UCZANYLMCAEBDM-GFCCVEGCSA-N 1 0 378.416 2.142 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c(C)c1Cl ZINC000903548753 654254002 /nfs/dbraw/zinc/25/40/02/654254002.db2.gz YMUFYDKYRWNIAC-PSASIEDQSA-N 1 0 380.919 2.020 20 0 GEADRO Cc1c(Br)cccc1CS(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903548942 654254025 /nfs/dbraw/zinc/25/40/25/654254025.db2.gz RIXNZLIQNVLRDB-DGCLKSJQSA-N 1 0 375.332 2.423 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1Cl ZINC000903552899 654254778 /nfs/dbraw/zinc/25/47/78/654254778.db2.gz NRDGBFRGLGPZBN-MWLCHTKSSA-N 1 0 377.869 2.043 20 0 GEADRO COc1ccc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)c(Br)c1 ZINC000903557345 654255598 /nfs/dbraw/zinc/25/55/98/654255598.db2.gz ASPDZMLUHHYHHP-UHFFFAOYSA-N 1 0 389.315 2.268 20 0 GEADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1cc(F)ccc1Br ZINC000903558701 654255788 /nfs/dbraw/zinc/25/57/88/654255788.db2.gz WNMNAAAUPOVXER-UHFFFAOYSA-N 1 0 377.279 2.399 20 0 GEADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903562511 654256482 /nfs/dbraw/zinc/25/64/82/654256482.db2.gz FONRBPHQVULSNE-KGYLQXTDSA-N 1 0 379.707 2.415 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCCC[NH2+]2)cc1Cl ZINC000903565273 654257190 /nfs/dbraw/zinc/25/71/90/654257190.db2.gz TYMBPAAGJFKBNN-LLVKDONJSA-N 1 0 375.878 2.329 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000903567083 654257205 /nfs/dbraw/zinc/25/72/05/654257205.db2.gz WBRWWOQLONHRCM-GFCCVEGCSA-N 1 0 389.905 2.118 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCCCC[NH2+]2)cc1Cl ZINC000903567183 654257215 /nfs/dbraw/zinc/25/72/15/654257215.db2.gz ABRWWYFGBISUPS-NSHDSACASA-N 1 0 377.869 2.248 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000903570092 654257558 /nfs/dbraw/zinc/25/75/58/654257558.db2.gz RCEOYURTCMVPHX-NXEZZACHSA-N 1 0 378.294 2.095 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000903569632 654257621 /nfs/dbraw/zinc/25/76/21/654257621.db2.gz MMSJCHRMRDAGHW-ZKCHVHJHSA-N 1 0 376.301 2.074 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000903572179 654258365 /nfs/dbraw/zinc/25/83/65/654258365.db2.gz GVLVRMHILYZWNO-VXNVDRBHSA-N 1 0 391.184 2.098 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1c[nH]c3cc(Br)ccc31)C2 ZINC000903576785 654259636 /nfs/dbraw/zinc/25/96/36/654259636.db2.gz NWZHDGYKAMJGOY-WCQGTBRESA-N 1 0 384.299 2.431 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)NCCC[C@H]3CCC[NH2+]3)cc2N1 ZINC000871807079 654261607 /nfs/dbraw/zinc/26/16/07/654261607.db2.gz JWXAFECKIGGTRJ-CYBMUJFWSA-N 1 0 385.917 2.425 20 0 GEADRO CC1(CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[NH2+]CC1 ZINC000871807917 654261686 /nfs/dbraw/zinc/26/16/86/654261686.db2.gz SNAJUECRCUGIMX-UHFFFAOYSA-N 1 0 385.917 2.283 20 0 GEADRO C[C@]12CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])C[C@H]1C2(Br)Br ZINC000852901491 654266647 /nfs/dbraw/zinc/26/66/47/654266647.db2.gz JJDRKUFINNYXOZ-KLBPJQLPSA-N 1 0 380.124 2.468 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC[C@H]1C(F)(F)F ZINC000903581613 654261999 /nfs/dbraw/zinc/26/19/99/654261999.db2.gz NXLWEGBXSYTNRO-SFYZADRCSA-N 1 0 378.203 2.289 20 0 GEADRO O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000852826177 654262201 /nfs/dbraw/zinc/26/22/01/654262201.db2.gz BCVOOMKSQKRPJN-UHFFFAOYSA-N 1 0 376.400 2.196 20 0 GEADRO C[C@@]([NH3+])(C(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(Br)cc1 ZINC000852837769 654262750 /nfs/dbraw/zinc/26/27/50/654262750.db2.gz NVTOUWAAVGYHRL-KRWDZBQOSA-N 1 0 378.270 2.019 20 0 GEADRO C[C@]([NH3+])(C(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(Br)cc1 ZINC000852837770 654262758 /nfs/dbraw/zinc/26/27/58/654262758.db2.gz NVTOUWAAVGYHRL-QGZVFWFLSA-N 1 0 378.270 2.019 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)Cc1cc(F)ccc1Br ZINC000903583828 654262866 /nfs/dbraw/zinc/26/28/66/654262866.db2.gz GYMPIDXLMFBJTO-RISCZKNCSA-N 1 0 377.279 2.231 20 0 GEADRO CC[NH2+]CCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000832383125 654263064 /nfs/dbraw/zinc/26/30/64/654263064.db2.gz NUKPYFWWOZZRRG-UHFFFAOYSA-N 1 0 375.922 2.146 20 0 GEADRO O=C(NCc1cc(Cl)ccc1I)[C@@]1(F)CC[NH2+]C1 ZINC000852843792 654263254 /nfs/dbraw/zinc/26/32/54/654263254.db2.gz HHQGOJGTOIFUCW-GFCCVEGCSA-N 1 0 382.604 2.262 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c1F ZINC000903584109 654263260 /nfs/dbraw/zinc/26/32/60/654263260.db2.gz HYDZGICDGPVDBS-XPTSAGLGSA-N 1 0 393.278 2.099 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)C[C@H]1C(F)(F)F ZINC000871813183 654263568 /nfs/dbraw/zinc/26/35/68/654263568.db2.gz OTDVSCOKJIOUCY-OIBJUYFYSA-N 1 0 383.779 2.239 20 0 GEADRO CC[N@H+]1C[C@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)[C@@H](C)C1 ZINC000921406550 654263851 /nfs/dbraw/zinc/26/38/51/654263851.db2.gz KPDFWQPTKLKABV-UBHSHLNASA-N 1 0 382.306 2.426 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@H]1C(F)(F)F ZINC000871814009 654263890 /nfs/dbraw/zinc/26/38/90/654263890.db2.gz NRFRYRLDPDLQPQ-DTWKUNHWSA-N 1 0 392.321 2.343 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000871814359 654264008 /nfs/dbraw/zinc/26/40/08/654264008.db2.gz SRRFIEUVIVBWDT-NXEZZACHSA-N 1 0 386.823 2.415 20 0 GEADRO COC(=O)c1cc2nc(NC(=O)C34CC[NH+](CC3)C4)[nH]c2c(Br)c1 ZINC000891094031 654264404 /nfs/dbraw/zinc/26/44/04/654264404.db2.gz RUGWOJKDTOFSAU-UHFFFAOYSA-N 1 0 393.241 2.146 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903589032 654264495 /nfs/dbraw/zinc/26/44/95/654264495.db2.gz MFCZQLPQOPJLFK-PIGZYNQJSA-N 1 0 380.491 2.190 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000871816054 654264837 /nfs/dbraw/zinc/26/48/37/654264837.db2.gz BVWASUSERMLJOX-UONOGXRCSA-N 1 0 375.288 2.021 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871820493 654265617 /nfs/dbraw/zinc/26/56/17/654265617.db2.gz PNSYMJHIGFQFCD-ZIAGYGMSSA-N 1 0 377.279 2.292 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871819454 654265781 /nfs/dbraw/zinc/26/57/81/654265781.db2.gz SYEQLHJITVZVBC-LSDHHAIUSA-N 1 0 389.315 2.162 20 0 GEADRO CC(C)(CC[NH3+])NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852892193 654265983 /nfs/dbraw/zinc/26/59/83/654265983.db2.gz HDYJTIKRMGTFAV-UHFFFAOYSA-N 1 0 398.248 2.334 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CCC[C@]12CC[NH2+]C2 ZINC000903597584 654265997 /nfs/dbraw/zinc/26/59/97/654265997.db2.gz ZCYNNELXNYQVLR-GFCCVEGCSA-N 1 0 380.695 2.014 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000852893985 654266162 /nfs/dbraw/zinc/26/61/62/654266162.db2.gz LLJJSBINTNFRLH-UHFFFAOYSA-N 1 0 376.400 2.324 20 0 GEADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852894746 654266212 /nfs/dbraw/zinc/26/62/12/654266212.db2.gz YIVBTPICHUTGMF-MNOVXSKESA-N 1 0 398.248 2.333 20 0 GEADRO [NH3+]C[C@@H]1CC(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)=NO1 ZINC000852897406 654266314 /nfs/dbraw/zinc/26/63/14/654266314.db2.gz PXCPKWHAGLSNJQ-JTQLQIEISA-N 1 0 391.686 2.399 20 0 GEADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2[nH]nc(C)c2Br)cc1 ZINC000852906943 654267687 /nfs/dbraw/zinc/26/76/87/654267687.db2.gz YUIXGNGAIABEQE-KBPBESRZSA-N 1 0 393.285 2.365 20 0 GEADRO CSCC[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000803219151 654267949 /nfs/dbraw/zinc/26/79/49/654267949.db2.gz BVIQXTSSEHJOOB-HUUCEWRRSA-N 1 0 383.583 2.334 20 0 GEADRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000852919751 654268419 /nfs/dbraw/zinc/26/84/19/654268419.db2.gz AUTRZLDVJNBVHW-CHWSQXEVSA-N 1 0 387.933 2.098 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2cc(Br)n(C)n2)(C(F)(F)F)CC1 ZINC000891212601 654272450 /nfs/dbraw/zinc/27/24/50/654272450.db2.gz WGGMKCBDYAFCHD-UHFFFAOYSA-N 1 0 383.212 2.329 20 0 GEADRO COC(=O)c1cnc([C@H]2CCCN(C(=S)NC3CC[NH+](C)CC3)C2)s1 ZINC000853053103 654274762 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O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCC[C@H]1CC[NH2+]C1 ZINC000832635468 654282387 /nfs/dbraw/zinc/28/23/87/654282387.db2.gz RIFNYGYXOJJBOM-GFCCVEGCSA-N 1 0 378.523 2.044 20 0 GEADRO [NH3+][C@H]1CN(CCS(=O)(=O)c2nc3ccccc3s2)CC[C@@H]1C(F)(F)F ZINC000903786846 654283669 /nfs/dbraw/zinc/28/36/69/654283669.db2.gz PFCZJNXRYGLORG-QWRGUYRKSA-N 1 0 393.456 2.282 20 0 GEADRO [NH3+][C@@H]1CN(CCS(=O)(=O)c2nc3ccccc3s2)CC[C@@H]1C(F)(F)F ZINC000903786848 654283813 /nfs/dbraw/zinc/28/38/13/654283813.db2.gz PFCZJNXRYGLORG-WDEREUQCSA-N 1 0 393.456 2.282 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCCN2CC(=O)Nc1ccccc1I ZINC000903796043 654283893 /nfs/dbraw/zinc/28/38/93/654283893.db2.gz RELWOYKMJHXWET-BLLLJJGKSA-N 1 0 399.276 2.433 20 0 GEADRO C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n2)CC1 ZINC000803548635 654283977 /nfs/dbraw/zinc/28/39/77/654283977.db2.gz HDYQAGXORJWOPB-PBHICJAKSA-N 1 0 383.323 2.489 20 0 GEADRO C[NH+](C)CCCNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000853210597 654286178 /nfs/dbraw/zinc/28/61/78/654286178.db2.gz BDEROTAGNCFXAL-PWSUYJOCSA-N 1 0 397.155 2.476 20 0 GEADRO COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903910885 654291570 /nfs/dbraw/zinc/29/15/70/654291570.db2.gz SKKFKFQLCHAMME-HOCLYGCPSA-N 1 0 375.847 2.154 20 0 GEADRO O=C1NCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1Br ZINC000903911247 654292008 /nfs/dbraw/zinc/29/20/08/654292008.db2.gz ZUPZTHRLLCEPFD-PLTIAYLTSA-N 1 0 378.314 2.453 20 0 GEADRO Brc1ccc2c(c1)OCCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903933210 654292504 /nfs/dbraw/zinc/29/25/04/654292504.db2.gz LZCVNGKICLWXIP-OAHLLOKOSA-N 1 0 392.301 2.360 20 0 GEADRO COc1cc(CN[C@@H]2C[NH2+]C[C@H]2C)cc(I)c1OC ZINC000903963621 654292941 /nfs/dbraw/zinc/29/29/41/654292941.db2.gz CMIVOXCRDXVMHN-BXKDBHETSA-N 1 0 376.238 2.006 20 0 GEADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000903969880 654293404 /nfs/dbraw/zinc/29/34/04/654293404.db2.gz MQRRRHZRKAUGMW-INIZCTEOSA-N 1 0 378.460 2.394 20 0 GEADRO Cn1c(Sc2ccc3c(c2)S(=O)(=O)N=C3Cl)nnc1[C@@H]1CCC[NH2+]C1 ZINC000853349347 654293408 /nfs/dbraw/zinc/29/34/08/654293408.db2.gz YTNMJMHHAZXPKD-SECBINFHSA-N 1 0 397.913 2.121 20 0 GEADRO Brc1cc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc2c1OCCO2 ZINC000903975245 654294047 /nfs/dbraw/zinc/29/40/47/654294047.db2.gz ZTBQZRVEAHHDNT-CQSZACIVSA-N 1 0 397.313 2.469 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C1 ZINC000832764987 654294056 /nfs/dbraw/zinc/29/40/56/654294056.db2.gz SWNDHMWUQRUHIJ-CQSZACIVSA-N 1 0 387.933 2.145 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853398769 654294434 /nfs/dbraw/zinc/29/44/34/654294434.db2.gz OYSCXYOUAYQGRR-CVEARBPZSA-N 1 0 394.313 2.289 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891463231 654294638 /nfs/dbraw/zinc/29/46/38/654294638.db2.gz CPKBJCVZZWSMJP-WCQYABFASA-N 1 0 383.290 2.217 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891481934 654296492 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2.219 20 0 GEADRO CCC[N@H+](C)[C@@H](CNC(=O)CC1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127823 654301181 /nfs/dbraw/zinc/30/11/81/654301181.db2.gz BAZBPHBTUBLTGU-UONOGXRCSA-N 1 0 382.917 2.396 20 0 GEADRO O=C(NCc1nc(C(F)(F)F)cs1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891590141 654302146 /nfs/dbraw/zinc/30/21/46/654302146.db2.gz WIPNVVBRDDKTBY-SNVBAGLBSA-N 1 0 378.420 2.120 20 0 GEADRO C[NH2+]CCOc1ccccc1-c1nc(-c2cnn(C)c2Br)no1 ZINC000904112208 654302489 /nfs/dbraw/zinc/30/24/89/654302489.db2.gz YRMOKWVFYZODHL-UHFFFAOYSA-N 1 0 378.230 2.498 20 0 GEADRO [NH3+]C1CC(Cc2nc(-c3cccn4c(I)cnc34)no2)C1 ZINC000904113254 654302495 /nfs/dbraw/zinc/30/24/95/654302495.db2.gz VHQYHIGEVFFMPA-UHFFFAOYSA-N 1 0 395.204 2.269 20 0 GEADRO O=C(NCC1C[NH+](C[C@H](O)c2ccc(Br)cc2)C1)C(F)(F)F ZINC000871992396 654304115 /nfs/dbraw/zinc/30/41/15/654304115.db2.gz YQYVYJGRLRWEPT-LBPRGKRZSA-N 1 0 381.192 2.093 20 0 GEADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000891651496 654304723 /nfs/dbraw/zinc/30/47/23/654304723.db2.gz OEBRFGUBXRBYMX-CBAPKCEASA-N 1 0 376.770 2.033 20 0 GEADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000891651498 654304963 /nfs/dbraw/zinc/30/49/63/654304963.db2.gz OEBRFGUBXRBYMX-VXNVDRBHSA-N 1 0 376.770 2.033 20 0 GEADRO [NH3+]CC1(O)CCN(Cc2cc(Br)ccc2Br)CC1 ZINC000904372481 654308451 /nfs/dbraw/zinc/30/84/51/654308451.db2.gz CMYCFPHCYKAWGP-UHFFFAOYSA-N 1 0 378.108 2.497 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cc(Br)cnc1-n1cccn1)C2 ZINC000904417472 654309827 /nfs/dbraw/zinc/30/98/27/654309827.db2.gz GAMFTUKIBCCYTC-UHTWSYAYSA-N 1 0 391.273 2.373 20 0 GEADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000904418670 654309874 /nfs/dbraw/zinc/30/98/74/654309874.db2.gz BEVOYRZPAHJJCI-SNVBAGLBSA-N 1 0 377.670 2.340 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904458697 654311717 /nfs/dbraw/zinc/31/17/17/654311717.db2.gz FRUZWGJSPMCYSD-NSHDSACASA-N 1 0 379.262 2.149 20 0 GEADRO FC(F)(F)COCCC[NH+]1CCN(Cc2nc(Br)c[nH]2)CC1 ZINC000891809003 654312423 /nfs/dbraw/zinc/31/24/23/654312423.db2.gz ZCNYVXYAKHIOQD-UHFFFAOYSA-N 1 0 385.228 2.259 20 0 GEADRO COc1cc(I)ccc1NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904491257 654312661 /nfs/dbraw/zinc/31/26/61/654312661.db2.gz LLHUPKPKAFKBGE-HOSYDEDBSA-N 1 0 387.221 2.314 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1)C(F)(F)F ZINC000921728559 654312822 /nfs/dbraw/zinc/31/28/22/654312822.db2.gz ABLQAMXTGHNJHD-QLFBSQMISA-N 1 0 384.464 2.343 20 0 GEADRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCc2nnc(SC)s2)cc1 ZINC000891832848 654313623 /nfs/dbraw/zinc/31/36/23/654313623.db2.gz XKCJADGITBYPDQ-CYBMUJFWSA-N 1 0 379.511 2.125 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000853657230 654313778 /nfs/dbraw/zinc/31/37/78/654313778.db2.gz BGGZWFFVPIKIAQ-UHFFFAOYSA-N 1 0 376.469 2.260 20 0 GEADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872119605 654313940 /nfs/dbraw/zinc/31/39/40/654313940.db2.gz IECNEDIQMBEXOS-RLAWYHOSSA-N 1 0 385.917 2.398 20 0 GEADRO C[C@@H]1CN(c2nc(Cl)nc3c(Br)c[nH]c32)C[C@H](C)[N@H+]1CCO ZINC000853665650 654314222 /nfs/dbraw/zinc/31/42/22/654314222.db2.gz AMIISLXBOSHZAG-DTORHVGOSA-N 1 0 388.697 2.265 20 0 GEADRO COc1ccc(Cl)cc1CNC(=O)CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149203 654314500 /nfs/dbraw/zinc/31/45/00/654314500.db2.gz MCCOYFFMPYFGQI-DGCLKSJQSA-N 1 0 379.810 2.034 20 0 GEADRO CC(=O)NCCc1noc(C2(c3ccc(Br)cc3)CC[NH2+]CC2)n1 ZINC000904624363 654314524 /nfs/dbraw/zinc/31/45/24/654314524.db2.gz UZSDPEACGBLOLO-UHFFFAOYSA-N 1 0 393.285 2.180 20 0 GEADRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000891857870 654315440 /nfs/dbraw/zinc/31/54/40/654315440.db2.gz HOIFYONFXQGLFM-YEORSEQZSA-N 1 0 378.274 2.171 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000891857869 654315461 /nfs/dbraw/zinc/31/54/61/654315461.db2.gz HOIFYONFXQGLFM-VDISTLRHSA-N 1 0 378.274 2.171 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cccs2)C[C@@H]1C(F)(F)F ZINC000872185290 654315999 /nfs/dbraw/zinc/31/59/99/654315999.db2.gz KTERBIHPBQDTKB-WOPDTQHZSA-N 1 0 375.416 2.007 20 0 GEADRO O[C@@H](C[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1)CC1(O)CCOCC1 ZINC000872214952 654317090 /nfs/dbraw/zinc/31/70/90/654317090.db2.gz LAYSJWNUBJNUAR-CJNGLKHVSA-N 1 0 378.296 2.299 20 0 GEADRO [NH3+]CCN1CCC[C@H](c2nc(Cc3cc(F)cc(Br)c3)no2)C1=O ZINC000904711920 654317469 /nfs/dbraw/zinc/31/74/69/654317469.db2.gz HLJAYFFCXZQFAK-CYBMUJFWSA-N 1 0 397.248 2.227 20 0 GEADRO CC(C)(C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)N1CCOCC1 ZINC000834353703 654318493 /nfs/dbraw/zinc/31/84/93/654318493.db2.gz MOKKKKJXFARTSJ-KRWDZBQOSA-N 1 0 389.309 2.496 20 0 GEADRO CS[C@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000921757201 654318675 /nfs/dbraw/zinc/31/86/75/654318675.db2.gz NKVCYQGPGGTEHK-CVEARBPZSA-N 1 0 376.588 2.223 20 0 GEADRO CSCC[C@H]([NH3+])Cc1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 ZINC000904734428 654318646 /nfs/dbraw/zinc/31/86/46/654318646.db2.gz MGVUKNRYKALRAF-ZDUSSCGKSA-N 1 0 389.930 2.461 20 0 GEADRO CCc1ccc([C@@H](O)C[NH2+]Cc2c(I)cnn2C)cc1 ZINC000872242301 654319146 /nfs/dbraw/zinc/31/91/46/654319146.db2.gz KLPCQZFWUAFXBG-HNNXBMFYSA-N 1 0 385.249 2.410 20 0 GEADRO CCn1c(Br)c(Br)nc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000892250951 654336280 /nfs/dbraw/zinc/33/62/80/654336280.db2.gz GAGLSJNEDJVXOW-DTORHVGOSA-N 1 0 378.112 2.079 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872291505 654321854 /nfs/dbraw/zinc/32/18/54/654321854.db2.gz UWBJLFICKTUYGI-JTQLQIEISA-N 1 0 388.331 2.229 20 0 GEADRO C[C@@](CO)(NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000891984084 654322027 /nfs/dbraw/zinc/32/20/27/654322027.db2.gz PTHKJGCRNXFNLS-UGSOOPFHSA-N 1 0 396.329 2.440 20 0 GEADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804812208 654322030 /nfs/dbraw/zinc/32/20/30/654322030.db2.gz FNSHTBGFHVZNCM-QWHCGFSZSA-N 1 0 386.949 2.300 20 0 GEADRO CC(C)n1ncc(C(=O)N2CC[NH2+]CCC2(C)C)c1I ZINC000872301699 654322215 /nfs/dbraw/zinc/32/22/15/654322215.db2.gz WTRXNCQNGZHDRZ-UHFFFAOYSA-N 1 0 390.269 2.283 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2csc(I)n2)CC1 ZINC000834437037 654324610 /nfs/dbraw/zinc/32/46/10/654324610.db2.gz XREBJRLGIQYHTH-SECBINFHSA-N 1 0 379.267 2.304 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C(F)(F)F)n1 ZINC000904932352 654324926 /nfs/dbraw/zinc/32/49/26/654324926.db2.gz PIMUCHPXDLDFMD-HUUCEWRRSA-N 1 0 377.432 2.194 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1nc(Br)c[nH]1 ZINC000921801555 654325487 /nfs/dbraw/zinc/32/54/87/654325487.db2.gz UPASQZQHSSMEDK-RYUDHWBXSA-N 1 0 393.351 2.101 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000904969821 654325862 /nfs/dbraw/zinc/32/58/62/654325862.db2.gz DCXJDFGJPGJDFD-KSSFIOAISA-N 1 0 394.313 2.137 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000834451832 654326315 /nfs/dbraw/zinc/32/63/15/654326315.db2.gz DSXIDMYJDLFUEZ-CYBMUJFWSA-N 1 0 387.933 2.372 20 0 GEADRO Cc1nc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)sc1Br ZINC000921813235 654326361 /nfs/dbraw/zinc/32/63/61/654326361.db2.gz DCEXZKNMVAAOTJ-OTYXRUKQSA-N 1 0 387.303 2.024 20 0 GEADRO Cc1nc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)sc1Br ZINC000921813237 654326440 /nfs/dbraw/zinc/32/64/40/654326440.db2.gz DCEXZKNMVAAOTJ-YMTOWFKASA-N 1 0 387.303 2.024 20 0 GEADRO COc1cc(C[C@@H](CO)C[NH2+]Cc2nc(Br)c[nH]2)cc(OC)c1 ZINC000921812663 654326448 /nfs/dbraw/zinc/32/64/48/654326448.db2.gz WFKCHHDTNXABGI-GFCCVEGCSA-N 1 0 384.274 2.130 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000834466113 654327475 /nfs/dbraw/zinc/32/74/75/654327475.db2.gz GQRVSLKRMMBSON-GFCCVEGCSA-N 1 0 398.248 2.153 20 0 GEADRO Cc1nc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c(Br)n1C ZINC000804947815 654327601 /nfs/dbraw/zinc/32/76/01/654327601.db2.gz HECIBTZJOQNNQT-UHFFFAOYSA-N 1 0 393.351 2.034 20 0 GEADRO Cc1nc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(Br)n1C ZINC000804950023 654327924 /nfs/dbraw/zinc/32/79/24/654327924.db2.gz LAXDLHDRCAQOEQ-WDEREUQCSA-N 1 0 393.351 2.032 20 0 GEADRO C[C@@]1(CNC(=O)c2cccn3c(I)cnc23)CCC[NH2+]C1 ZINC000834475466 654328449 /nfs/dbraw/zinc/32/84/49/654328449.db2.gz UWJYURHHJQDJRH-OAHLLOKOSA-N 1 0 398.248 2.058 20 0 GEADRO O[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)CC1(O)CCCC1 ZINC000905064381 654328951 /nfs/dbraw/zinc/32/89/51/654328951.db2.gz JBBZGOXANVGSQD-ZDUSSCGKSA-N 1 0 386.286 2.366 20 0 GEADRO O=C(C[N@H+]1CCCN(c2nc(Cl)nc3sccc32)CC1)N1CCCC1 ZINC000872404062 654329765 /nfs/dbraw/zinc/32/97/65/654329765.db2.gz JDRFKURZIWQLBR-UHFFFAOYSA-N 1 0 379.917 2.479 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]Cc2cc(F)ccc2F)CCC1 ZINC000905093926 654330748 /nfs/dbraw/zinc/33/07/48/654330748.db2.gz OAKZWNFVPZZOGR-OAHLLOKOSA-N 1 0 376.469 2.056 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N[C@H]1C[NH2+]CCC1(F)F ZINC000892155364 654331590 /nfs/dbraw/zinc/33/15/90/654331590.db2.gz DFTGLLKMLHBWAU-ZOBORPQBSA-N 1 0 386.240 2.384 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892155363 654331595 /nfs/dbraw/zinc/33/15/95/654331595.db2.gz DFTGLLKMLHBWAU-YIYPIFLZSA-N 1 0 386.240 2.384 20 0 GEADRO COc1cc(/C=C\C(=O)N2CCC3(C[NH+](C)C3)C2)cc(Br)c1O ZINC000834526471 654331726 /nfs/dbraw/zinc/33/17/26/654331726.db2.gz QFSFBMHDIXBHOA-ARJAWSKDSA-N 1 0 381.270 2.341 20 0 GEADRO C[C@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)Sc1ccc(Br)cc1 ZINC000905107459 654332076 /nfs/dbraw/zinc/33/20/76/654332076.db2.gz ZFCCDWCXAVUZHX-IUODEOHRSA-N 1 0 390.343 2.422 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905106220 654332294 /nfs/dbraw/zinc/33/22/94/654332294.db2.gz ORHMTHBDQNXYEN-MRXNPFEDSA-N 1 0 399.329 2.053 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCC(=O)Nc3ccc(Br)cc3)[C@H]2C1 ZINC000892215574 654334324 /nfs/dbraw/zinc/33/43/24/654334324.db2.gz YGNKALQLIHWGJE-DOMZBBRYSA-N 1 0 395.301 2.123 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)[NH+]1CCCC1 ZINC000872436169 654334990 /nfs/dbraw/zinc/33/49/90/654334990.db2.gz UFTVPTMPORXGMC-LBPRGKRZSA-N 1 0 385.917 2.377 20 0 GEADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872439376 654335883 /nfs/dbraw/zinc/33/58/83/654335883.db2.gz SYBFALMEIWGFLL-UHFFFAOYSA-N 1 0 376.320 2.385 20 0 GEADRO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1nc(Br)cs1 ZINC000834571652 654336197 /nfs/dbraw/zinc/33/61/97/654336197.db2.gz VNAWBIDQQFABSJ-MNOVXSKESA-N 1 0 375.336 2.144 20 0 GEADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000872440653 654336408 /nfs/dbraw/zinc/33/64/08/654336408.db2.gz UHNUBBRHRHPGIX-QHCPKHFHSA-N 1 0 379.592 2.325 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872440022 654336427 /nfs/dbraw/zinc/33/64/27/654336427.db2.gz WZJMBSQGALIDCE-WBVLODKDSA-N 1 0 379.592 2.465 20 0 GEADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905187715 654336802 /nfs/dbraw/zinc/33/68/02/654336802.db2.gz MZXFZHJRCMQNGO-IAQYHMDHSA-N 1 0 376.266 2.011 20 0 GEADRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905187718 654336852 /nfs/dbraw/zinc/33/68/52/654336852.db2.gz MZXFZHJRCMQNGO-NHYWBVRUSA-N 1 0 376.266 2.011 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C[C@@]1(O)CCOC1 ZINC000905189920 654337307 /nfs/dbraw/zinc/33/73/07/654337307.db2.gz JLKHAPZOJJWDBP-OCCSQVGLSA-N 1 0 398.219 2.460 20 0 GEADRO O=S(=O)(c1cccc(Br)n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000872448113 654338688 /nfs/dbraw/zinc/33/86/88/654338688.db2.gz JWPJRJBXUCUKME-ZDUSSCGKSA-N 1 0 388.331 2.483 20 0 GEADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872448060 654338707 /nfs/dbraw/zinc/33/87/07/654338707.db2.gz IQPIBGFSMLHOKU-LBPRGKRZSA-N 1 0 385.917 2.235 20 0 GEADRO Cc1csc([C@@H](C)C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)n1 ZINC000905206830 654339000 /nfs/dbraw/zinc/33/90/00/654339000.db2.gz DHROHMUEFZMSBD-JSGCOSHPSA-N 1 0 389.587 2.146 20 0 GEADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)C3(O)CCCC3)nc12 ZINC000905208533 654339262 /nfs/dbraw/zinc/33/92/62/654339262.db2.gz LNZNVIBLVRUTOM-OAHLLOKOSA-N 1 0 382.302 2.203 20 0 GEADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921907345 654340157 /nfs/dbraw/zinc/34/01/57/654340157.db2.gz FSEIDLIBGGRGPA-CQSZACIVSA-N 1 0 376.881 2.152 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)n2)C[C@@H]1C ZINC000872455036 654341089 /nfs/dbraw/zinc/34/10/89/654341089.db2.gz XIAUDRIISIGPFU-NWDGAFQWSA-N 1 0 376.320 2.337 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)n2)C[C@H]1C ZINC000872455035 654341185 /nfs/dbraw/zinc/34/11/85/654341185.db2.gz XIAUDRIISIGPFU-NEPJUHHUSA-N 1 0 376.320 2.337 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)n2)C[C@H]1C ZINC000872455038 654341248 /nfs/dbraw/zinc/34/12/48/654341248.db2.gz XIAUDRIISIGPFU-VXGBXAGGSA-N 1 0 376.320 2.337 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Cl)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921912316 654341471 /nfs/dbraw/zinc/34/14/71/654341471.db2.gz ORVGJLRBXUMNKC-HNNXBMFYSA-N 1 0 376.881 2.152 20 0 GEADRO CC(C)(c1noc(-c2cn(CC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000854150537 654342259 /nfs/dbraw/zinc/34/22/59/654342259.db2.gz OXFMRLBNSXMFAZ-UHFFFAOYSA-N 1 0 377.246 2.375 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000892358774 654342678 /nfs/dbraw/zinc/34/26/78/654342678.db2.gz QSOJRDBWERJTRN-JSGCOSHPSA-N 1 0 384.322 2.246 20 0 GEADRO CC(C)(c1noc(-c2cn(CC[NH3+])nn2)n1)c1ccccc1Br ZINC000854157429 654342866 /nfs/dbraw/zinc/34/28/66/654342866.db2.gz GGDFBAPEJUYNOI-UHFFFAOYSA-N 1 0 377.246 2.375 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905248977 654344504 /nfs/dbraw/zinc/34/45/04/654344504.db2.gz WXLOJOUHIFYCFE-CQDKDKBSSA-N 1 0 381.325 2.334 20 0 GEADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872464317 654345412 /nfs/dbraw/zinc/34/54/12/654345412.db2.gz ULGNIIVUPQIFPV-ZDUSSCGKSA-N 1 0 385.917 2.330 20 0 GEADRO O[C@@H](C[NH2+]CC1(c2ccccc2Br)CCC1)C[C@]1(O)CCOC1 ZINC000905260959 654345677 /nfs/dbraw/zinc/34/56/77/654345677.db2.gz GBXIIBZZYNPEAY-RDTXWAMCSA-N 1 0 384.314 2.363 20 0 GEADRO O[C@H](C[NH2+]CC1(c2ccccc2Br)CCC1)C[C@@]1(O)CCOC1 ZINC000905260958 654345944 /nfs/dbraw/zinc/34/59/44/654345944.db2.gz GBXIIBZZYNPEAY-KSSFIOAISA-N 1 0 384.314 2.363 20 0 GEADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000905274487 654347359 /nfs/dbraw/zinc/34/73/59/654347359.db2.gz TWCJJBPAPHWLLD-AYDDYBHNSA-N 1 0 382.328 2.395 20 0 GEADRO Cn1cc(Br)c(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc1=O ZINC000834764999 654347272 /nfs/dbraw/zinc/34/72/72/654347272.db2.gz LJYUISSEXWBKQL-UHFFFAOYSA-N 1 0 382.302 2.285 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]C[C@H]2CC23CCSCC3)CCC1 ZINC000905288621 654347714 /nfs/dbraw/zinc/34/77/14/654347714.db2.gz NJPGNXMFYDWVAB-CABCVRRESA-N 1 0 390.615 2.111 20 0 GEADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC[S@@](=O)CC(F)(F)F ZINC000854305801 654349509 /nfs/dbraw/zinc/34/95/09/654349509.db2.gz BVFICYWFUXJGRC-RUZDIDTESA-N 1 0 385.496 2.451 20 0 GEADRO C[C@H]([NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000892528121 654349608 /nfs/dbraw/zinc/34/96/08/654349608.db2.gz PPWRZCZRQOIRAZ-IUCAKERBSA-N 1 0 396.822 2.314 20 0 GEADRO Cc1csc([C@@](O)(Cc2nc(CC3CC[NH2+]CC3)no2)C(F)(F)F)n1 ZINC000905317614 654350443 /nfs/dbraw/zinc/35/04/43/654350443.db2.gz UBJYQKQQBAQMKO-AWEZNQCLSA-N 1 0 376.404 2.369 20 0 GEADRO Cc1nc(Br)sc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000854322759 654351265 /nfs/dbraw/zinc/35/12/65/654351265.db2.gz NUWWOIRQMUOCCR-UHFFFAOYSA-N 1 0 387.347 2.068 20 0 GEADRO CN1CCN(C(=O)c2ccc(C[NH2+]C[C@@H]3C[C@]3(C)Br)cc2)CC1 ZINC000892582810 654352557 /nfs/dbraw/zinc/35/25/57/654352557.db2.gz MXCACPZZJCGUHW-WMZOPIPTSA-N 1 0 380.330 2.337 20 0 GEADRO O=C(NC[C@@H](O)c1ccccc1Br)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892587869 654352655 /nfs/dbraw/zinc/35/26/55/654352655.db2.gz VJGODJTTZJRIJN-OQMKEHIESA-N 1 0 382.302 2.312 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000905357082 654353000 /nfs/dbraw/zinc/35/30/00/654353000.db2.gz IXPUMVHMSJUDTJ-CYBMUJFWSA-N 1 0 377.304 2.018 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000905360126 654353063 /nfs/dbraw/zinc/35/30/63/654353063.db2.gz WXNAFCKVQCSHRY-GFCCVEGCSA-N 1 0 381.267 2.016 20 0 GEADRO C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834850853 654353415 /nfs/dbraw/zinc/35/34/15/654353415.db2.gz QUEWWVAQFHIQOP-UKRRQHHQSA-N 1 0 376.469 2.180 20 0 GEADRO OC[C@H](C[NH2+]C[C@H](O)CCC1(O)CCC1)Cc1ccc(Br)cc1 ZINC000905366652 654353826 /nfs/dbraw/zinc/35/38/26/654353826.db2.gz PPJBRALXYJZCLA-DOTOQJQBSA-N 1 0 386.330 2.246 20 0 GEADRO O=C(NCc1cnc(Br)cn1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000854351872 654354379 /nfs/dbraw/zinc/35/43/79/654354379.db2.gz JJMCVHXQWKIVSW-CYBMUJFWSA-N 1 0 385.331 2.073 20 0 GEADRO O=C(CCSc1nc2ccccc2s1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854355316 654355360 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C[NH+](C)CC[C@@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccnc1 ZINC000922631455 654404891 /nfs/dbraw/zinc/40/48/91/654404891.db2.gz CXTRAGPJYFAMMC-MRXNPFEDSA-N 1 0 382.917 2.165 20 0 GEADRO Cc1nn(C)c(C[NH2+]CCc2ccccc2S(C)(=O)=O)c1Br ZINC000922681600 654407163 /nfs/dbraw/zinc/40/71/63/654407163.db2.gz PLXXCAAXLULCDB-UHFFFAOYSA-N 1 0 386.315 2.227 20 0 GEADRO Cn1cc(C[NH2+]CCc2nc3c(s2)CCC3)c(I)n1 ZINC000922714848 654409811 /nfs/dbraw/zinc/40/98/11/654409811.db2.gz FOTVTHPDXKOONM-UHFFFAOYSA-N 1 0 388.278 2.302 20 0 GEADRO Brc1ccc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(N2CCOCC2)c1 ZINC000922727354 654410270 /nfs/dbraw/zinc/41/02/70/654410270.db2.gz UJQCBKLNCWBULC-KYJSFNMBSA-N 1 0 397.313 2.179 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1Br ZINC000922727886 654410310 /nfs/dbraw/zinc/41/03/10/654410310.db2.gz DGVMAXWXAVWOIP-DTWKUNHWSA-N 1 0 387.221 2.385 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1CNCC(C)(C)CS(C)(=O)=O ZINC000922739167 654411092 /nfs/dbraw/zinc/41/10/92/654411092.db2.gz 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ZINC000922825173 654415662 /nfs/dbraw/zinc/41/56/62/654415662.db2.gz HDICDPBELKRGTL-AWEZNQCLSA-N 1 0 388.848 2.162 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)CCCCCC[NH3+])c1 ZINC000873109813 654416045 /nfs/dbraw/zinc/41/60/45/654416045.db2.gz DLXMSGNPXBKHNX-UHFFFAOYSA-N 1 0 386.290 2.374 20 0 GEADRO COC(=O)c1cnc(CC[NH2+]Cc2cc(Br)cnc2OC)s1 ZINC000922832683 654416163 /nfs/dbraw/zinc/41/61/63/654416163.db2.gz ZKXYHOIGJQOWGZ-UHFFFAOYSA-N 1 0 386.271 2.428 20 0 GEADRO Cc1[nH]c(=S)sc1CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000855400448 654416725 /nfs/dbraw/zinc/41/67/25/654416725.db2.gz BMGWHYDXAUEBEX-OAHLLOKOSA-N 1 0 377.535 2.166 20 0 GEADRO O=C(c1cc(Br)cnc1F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922849775 654416858 /nfs/dbraw/zinc/41/68/58/654416858.db2.gz ANXRULFMAQMPGA-UHFFFAOYSA-N 1 0 386.265 2.356 20 0 GEADRO Cn1c2ccccc2c(Br)c1C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000873134370 654417979 /nfs/dbraw/zinc/41/79/79/654417979.db2.gz QGQKEJMRTWGGNL-NSHDSACASA-N 1 0 386.315 2.064 20 0 GEADRO C[C@H](CCNC(=O)c1ccnc(Cl)c1I)[NH+](C)C ZINC000855414693 654418025 /nfs/dbraw/zinc/41/80/25/654418025.db2.gz BGXCANXONBGPLG-MRVPVSSYSA-N 1 0 381.645 2.410 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000855414449 654418192 /nfs/dbraw/zinc/41/81/92/654418192.db2.gz ZFFASWAGZHKLEI-ZDUSSCGKSA-N 1 0 389.949 2.439 20 0 GEADRO Cc1ccc(NCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)nc1 ZINC000922927097 654420523 /nfs/dbraw/zinc/42/05/23/654420523.db2.gz BJAGZDURSCGIEQ-UHFFFAOYSA-N 1 0 399.314 2.002 20 0 GEADRO COc1ccc(Br)c(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c1 ZINC000906214611 654422091 /nfs/dbraw/zinc/42/20/91/654422091.db2.gz QVNXEUFFXJAVJE-UHFFFAOYSA-N 1 0 379.258 2.372 20 0 GEADRO CN(C(=O)c1cc(Br)c2c(c1)OCCO2)c1cc(C[NH3+])ccn1 ZINC000906222483 654422351 /nfs/dbraw/zinc/42/23/51/654422351.db2.gz CCFOAXIQFMAUQH-UHFFFAOYSA-N 1 0 378.226 2.351 20 0 GEADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccnn1C ZINC000922973755 654422893 /nfs/dbraw/zinc/42/28/93/654422893.db2.gz RMTXXKIZURFOPC-MRXNPFEDSA-N 1 0 398.301 2.421 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cn(C2CC2)c1=O ZINC000906239921 654423129 /nfs/dbraw/zinc/42/31/29/654423129.db2.gz KWZUZZCOXIAZTK-GXTWGEPZSA-N 1 0 380.286 2.302 20 0 GEADRO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1c(I)cnn1C ZINC000873275633 654423508 /nfs/dbraw/zinc/42/35/08/654423508.db2.gz INOAPBIQZSLKBQ-VXGBXAGGSA-N 1 0 376.286 2.425 20 0 GEADRO Cn1ncc(I)c1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000873277944 654423692 /nfs/dbraw/zinc/42/36/92/654423692.db2.gz XTIWMWRGJSLJKJ-KWCYVHTRSA-N 1 0 388.297 2.425 20 0 GEADRO Cn1ncc(I)c1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000873277943 654423700 /nfs/dbraw/zinc/42/37/00/654423700.db2.gz XTIWMWRGJSLJKJ-IACUBPJLSA-N 1 0 388.297 2.425 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)C[C@H]1C(F)(F)F ZINC000873316640 654424420 /nfs/dbraw/zinc/42/44/20/654424420.db2.gz SRXRZTZFATYKBJ-NTSWFWBYSA-N 1 0 377.314 2.244 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(C3CCOCC3)s2)C[C@H]1C(F)(F)F 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COC(=O)[C@@H]1[C@H](C[NH+]2CCC(n3cc(Br)cn3)CC2)C1(F)F ZINC000894020465 654439723 /nfs/dbraw/zinc/43/97/23/654439723.db2.gz NSHJXVBCUDZBIP-RYUDHWBXSA-N 1 0 378.217 2.337 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1Cl ZINC000894032206 654441090 /nfs/dbraw/zinc/44/10/90/654441090.db2.gz VQBBLBARPYSDBY-UONOGXRCSA-N 1 0 377.865 2.467 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000894031807 654441226 /nfs/dbraw/zinc/44/12/26/654441226.db2.gz LQRUIMJWLYODEV-YDHLFZDLSA-N 1 0 390.343 2.013 20 0 GEADRO NS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1Cl ZINC000855812178 654441388 /nfs/dbraw/zinc/44/13/88/654441388.db2.gz RKYJQPNRQVPMPK-ZDUSSCGKSA-N 1 0 385.917 2.124 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(Cl)cn1 ZINC000855814439 654441512 /nfs/dbraw/zinc/44/15/12/654441512.db2.gz DTNJLLZTIPOSBN-LBPRGKRZSA-N 1 0 385.917 2.275 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923283755 654441582 /nfs/dbraw/zinc/44/15/82/654441582.db2.gz YBAXXZURXYPODX-DOMZBBRYSA-N 1 0 375.282 2.259 20 0 GEADRO Cn1ncc(I)c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000894055021 654443054 /nfs/dbraw/zinc/44/30/54/654443054.db2.gz UMRWTRVPBFBFJT-CYBMUJFWSA-N 1 0 388.297 2.333 20 0 GEADRO CC[C@@H](c1ccc(Br)cc1)N1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923324319 654444123 /nfs/dbraw/zinc/44/41/23/654444123.db2.gz STZJHGATLOFUTR-XSLAGTTESA-N 1 0 382.346 2.368 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000873666544 654446145 /nfs/dbraw/zinc/44/61/45/654446145.db2.gz KDOIFGSGMLJJKH-STQMWFEESA-N 1 0 396.285 2.139 20 0 GEADRO Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000923357622 654446329 /nfs/dbraw/zinc/44/63/29/654446329.db2.gz ZBEXSPPNXSMCFM-DZGCQCFKSA-N 1 0 385.295 2.113 20 0 GEADRO COc1ccc(C[C@@H](CO)CNc2cc[nH+]cc2CO)cc1Br ZINC000894097923 654446562 /nfs/dbraw/zinc/44/65/62/654446562.db2.gz LDJVTEICJSLQAI-CYBMUJFWSA-N 1 0 381.270 2.030 20 0 GEADRO O[C@H](COc1cc(F)cc(Br)c1)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367369 654446991 /nfs/dbraw/zinc/44/69/91/654446991.db2.gz UJWPHEOGKOEUMO-RDJZCZTQSA-N 1 0 387.293 2.403 20 0 GEADRO C[NH+](C)CCOc1ccc(CCNC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000906573314 654449965 /nfs/dbraw/zinc/44/99/65/654449965.db2.gz MDTFIQOJAKWXCL-AWEZNQCLSA-N 1 0 397.730 2.407 20 0 GEADRO Cn1ncc(I)c1CNC[C@H](Cc1ccccc1)[NH+](C)C ZINC000894150276 654450039 /nfs/dbraw/zinc/45/00/39/654450039.db2.gz ZBARQRGHBHQRFK-AWEZNQCLSA-N 1 0 398.292 2.287 20 0 GEADRO O=C(CN1CCC[C@H]([NH2+]CCO)C1)Nc1ccc(Br)cc1Cl ZINC000923403970 654450228 /nfs/dbraw/zinc/45/02/28/654450228.db2.gz HPRZYJRRLAPMAT-LBPRGKRZSA-N 1 0 390.709 2.087 20 0 GEADRO O=C(CN1CCC[C@@H]([NH2+]CCO)C1)Nc1ccc(Br)cc1Cl ZINC000923403969 654450237 /nfs/dbraw/zinc/45/02/37/654450237.db2.gz HPRZYJRRLAPMAT-GFCCVEGCSA-N 1 0 390.709 2.087 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCC2)C[C@H]1C(F)(F)F ZINC000894155307 654451031 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Cn1cc(CNCC[N@H+](C)C2CCCCC2)c(I)n1 ZINC000894206052 654455856 /nfs/dbraw/zinc/45/58/56/654455856.db2.gz DJUBHHGISALJFT-UHFFFAOYSA-N 1 0 376.286 2.379 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873744572 654457162 /nfs/dbraw/zinc/45/71/62/654457162.db2.gz JPFZQTRBCSHRPY-UHFFFAOYSA-N 1 0 398.301 2.438 20 0 GEADRO Cc1cc(OCC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccc1Br ZINC000906676865 654459138 /nfs/dbraw/zinc/45/91/38/654459138.db2.gz HKCHBOTUVNUCNN-CQSZACIVSA-N 1 0 398.345 2.136 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000873759976 654459542 /nfs/dbraw/zinc/45/95/42/654459542.db2.gz JEHQIKJGPLSFTR-JQWIXIFHSA-N 1 0 396.285 2.138 20 0 GEADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000906688583 654460168 /nfs/dbraw/zinc/46/01/68/654460168.db2.gz GLUSKAUAPHCSGU-UHFFFAOYSA-N 1 0 378.420 2.324 20 0 GEADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000906688914 654460675 /nfs/dbraw/zinc/46/06/75/654460675.db2.gz LCEMSITXUHBCGZ-UHFFFAOYSA-N 1 0 383.290 2.006 20 0 GEADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906691261 654461023 /nfs/dbraw/zinc/46/10/23/654461023.db2.gz DMPKDXCKCSSMEN-LBPRGKRZSA-N 1 0 378.274 2.054 20 0 GEADRO COC(=O)c1sccc1C[NH2+][C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000894279314 654461597 /nfs/dbraw/zinc/46/15/97/654461597.db2.gz NVNATFBNXLAQAS-CYBMUJFWSA-N 1 0 382.507 2.381 20 0 GEADRO COc1cc(CC[NH2+]Cc2c(I)cnn2C)ccc1O ZINC000894274262 654461606 /nfs/dbraw/zinc/46/16/06/654461606.db2.gz XHLNOKWQLYICMI-UHFFFAOYSA-N 1 0 387.221 2.071 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1Br ZINC000906699022 654461963 /nfs/dbraw/zinc/46/19/63/654461963.db2.gz BBQRUKRIBCZGEE-GFCCVEGCSA-N 1 0 386.315 2.224 20 0 GEADRO O=C(NCc1cnc(Br)cn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000923531045 654462769 /nfs/dbraw/zinc/46/27/69/654462769.db2.gz MSRQNWKLCNAAHQ-UHFFFAOYSA-N 1 0 382.306 2.257 20 0 GEADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000906703582 654462904 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GEADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000906738072 654466493 /nfs/dbraw/zinc/46/64/93/654466493.db2.gz HVVGESXWBXPXLA-VIFPVBQESA-N 1 0 390.228 2.314 20 0 GEADRO CSc1nnc(CNC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000894339044 654466684 /nfs/dbraw/zinc/46/66/84/654466684.db2.gz ZBLPOFMSDYVCMK-KGLIPLIRSA-N 1 0 377.539 2.405 20 0 GEADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Br)cc1Cl)C2 ZINC000906755759 654468453 /nfs/dbraw/zinc/46/84/53/654468453.db2.gz QHEADKNOQGSTET-LSJOCFKGSA-N 1 0 386.677 2.379 20 0 GEADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906764581 654469247 /nfs/dbraw/zinc/46/92/47/654469247.db2.gz FIZFWQOFCALSCB-HNNXBMFYSA-N 1 0 388.212 2.020 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906765172 654469666 /nfs/dbraw/zinc/46/96/66/654469666.db2.gz BKHPJSVKDBHWIS-MRXNPFEDSA-N 1 0 384.249 2.190 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764750 654469722 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ZINC000856252969 654473307 /nfs/dbraw/zinc/47/33/07/654473307.db2.gz BTWXXOUAGJACPL-QGZVFWFLSA-N 1 0 381.314 2.358 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2occc2Br)C[C@H]1c1ccccc1F ZINC000923649279 654473429 /nfs/dbraw/zinc/47/34/29/654473429.db2.gz OHTVPAMKQNSFFN-GXFFZTMASA-N 1 0 389.246 2.297 20 0 GEADRO O=S(=O)(c1occc1Br)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000923656163 654473752 /nfs/dbraw/zinc/47/37/52/654473752.db2.gz SUVHASYQBOLYGY-GFCCVEGCSA-N 1 0 377.304 2.442 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)n1 ZINC000873871197 654474960 /nfs/dbraw/zinc/47/49/60/654474960.db2.gz VVRTVBDBXOSRFW-UHFFFAOYSA-N 1 0 388.230 2.468 20 0 GEADRO C[C@H](NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)C1([NH+]2CCOCC2)CCCC1 ZINC000906815708 654475158 /nfs/dbraw/zinc/47/51/58/654475158.db2.gz ONBJNTKGYDCJHS-NWDGAFQWSA-N 1 0 387.735 2.257 20 0 GEADRO C[C@@H](CCNCc1cn(C)nc1I)[NH+]1CCCCC1 ZINC000894444987 654476240 /nfs/dbraw/zinc/47/62/40/654476240.db2.gz LZTCYTUYYWEWGE-LBPRGKRZSA-N 1 0 376.286 2.379 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1cscc1Br)CC2 ZINC000923689283 654477664 /nfs/dbraw/zinc/47/76/64/654477664.db2.gz XNFFRNRWXHKAPG-JTQLQIEISA-N 1 0 395.344 2.029 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000923696778 654478301 /nfs/dbraw/zinc/47/83/01/654478301.db2.gz CYZSELQVOFXFJL-SECBINFHSA-N 1 0 397.722 2.471 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923697509 654478377 /nfs/dbraw/zinc/47/83/77/654478377.db2.gz ACBPGJVRABUWGQ-NXEZZACHSA-N 1 0 395.294 2.202 20 0 GEADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000923697714 654478386 /nfs/dbraw/zinc/47/83/86/654478386.db2.gz AHSNMTKYMXVEPY-VIFPVBQESA-N 1 0 390.328 2.418 20 0 GEADRO C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CC[C@@H]1C[NH3+] ZINC000923699163 654478696 /nfs/dbraw/zinc/47/86/96/654478696.db2.gz HLWBLEHVKPUOGB-GHMZBOCLSA-N 1 0 379.295 2.335 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000923699870 654478973 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0 GEADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cn(C)nc1I ZINC000894532408 654483309 /nfs/dbraw/zinc/48/33/09/654483309.db2.gz JVMWDDLUNUKDGK-AWEZNQCLSA-N 1 0 385.249 2.026 20 0 GEADRO CO[C@@H](CC[NH2+]Cc1c(I)cnn1C)C(F)(F)F ZINC000894538930 654484068 /nfs/dbraw/zinc/48/40/68/654484068.db2.gz VRJLRUOSPDIBPX-VIFPVBQESA-N 1 0 377.148 2.082 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000873938735 654485477 /nfs/dbraw/zinc/48/54/77/654485477.db2.gz ODANJSLBUCLHHB-GFCCVEGCSA-N 1 0 398.301 2.385 20 0 GEADRO C[NH+](C)CCNC(=O)c1cccc(CNc2cnc(Br)cn2)c1 ZINC000856727761 654487062 /nfs/dbraw/zinc/48/70/62/654487062.db2.gz DVVVJNNMOQNLAC-UHFFFAOYSA-N 1 0 378.274 2.143 20 0 GEADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1nc(Br)nn1C ZINC000894566347 654486995 /nfs/dbraw/zinc/48/69/95/654486995.db2.gz MGESTMBBWKBNSA-MNOVXSKESA-N 1 0 388.310 2.313 20 0 GEADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1nc(Br)nn1C ZINC000894566348 654487099 /nfs/dbraw/zinc/48/70/99/654487099.db2.gz MGESTMBBWKBNSA-QWRGUYRKSA-N 1 0 388.310 2.313 20 0 GEADRO Brc1cnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000856729475 654487434 /nfs/dbraw/zinc/48/74/34/654487434.db2.gz WEAYEXXXBCYGPT-UHFFFAOYSA-N 1 0 392.305 2.043 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000894596622 654489088 /nfs/dbraw/zinc/48/90/88/654489088.db2.gz CJIPPWPTQBLXJI-UHFFFAOYSA-N 1 0 392.099 2.107 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cc4ccccc4s3)CC2)C1 ZINC000906948593 654491851 /nfs/dbraw/zinc/49/18/51/654491851.db2.gz UWLKPGXRQIROKC-INIZCTEOSA-N 1 0 379.551 2.302 20 0 GEADRO O=C(NCc1ncc(Br)s1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000923946589 654492300 /nfs/dbraw/zinc/49/23/00/654492300.db2.gz PNMHMIXJKTYGFS-UWVGGRQHSA-N 1 0 391.360 2.285 20 0 GEADRO CC1(C)CC(NC(=O)c2c(Br)nc3n2CCOC3)CC(C)(C)[NH2+]1 ZINC000856776187 654494130 /nfs/dbraw/zinc/49/41/30/654494130.db2.gz XSVBITUYQJQCIX-UHFFFAOYSA-N 1 0 385.306 2.215 20 0 GEADRO C[C@H](CNC(=O)N1CC(O)(c2cccc(Br)c2)C1)C[NH+]1CCCC1 ZINC000856842176 654497020 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CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cn3)C2)[C@H]1C(C)C ZINC000926257109 654564964 /nfs/dbraw/zinc/56/49/64/654564964.db2.gz RIEMHEZCTWZHIU-KONPQCLYSA-N 1 0 396.329 2.444 20 0 GEADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cn3)C2)[C@@H]1C(C)C ZINC000926257111 654565033 /nfs/dbraw/zinc/56/50/33/654565033.db2.gz RIEMHEZCTWZHIU-XLMAVXFVSA-N 1 0 396.329 2.444 20 0 GEADRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000926298241 654567487 /nfs/dbraw/zinc/56/74/87/654567487.db2.gz IBPRQFAVZNVADB-JQWIXIFHSA-N 1 0 378.416 2.256 20 0 GEADRO CCON1CCC([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000926350193 654568726 /nfs/dbraw/zinc/56/87/26/654568726.db2.gz DWSCWDBFBGCELQ-UHFFFAOYSA-N 1 0 375.922 2.014 20 0 GEADRO COc1ccc(Br)c(CN(C)C(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000907738025 654572486 /nfs/dbraw/zinc/57/24/86/654572486.db2.gz MWKGKOIBEDEBAI-QGZVFWFLSA-N 1 0 385.302 2.263 20 0 GEADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926540259 654574172 /nfs/dbraw/zinc/57/41/72/654574172.db2.gz CXIAVQQRXKGZFV-XUJVJEKNSA-N 1 0 395.301 2.496 20 0 GEADRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2nn(C)cc2I)cn1 ZINC000926540745 654574461 /nfs/dbraw/zinc/57/44/61/654574461.db2.gz LJCYPBTYRJEVQA-OCCSQVGLSA-N 1 0 399.280 2.259 20 0 GEADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2nn(C)cc2I)cn1 ZINC000926540523 654574515 /nfs/dbraw/zinc/57/45/15/654574515.db2.gz LJCYPBTYRJEVQA-GXTWGEPZSA-N 1 0 399.280 2.259 20 0 GEADRO Cn1cc(I)c(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)n1 ZINC000926540373 654574523 /nfs/dbraw/zinc/57/45/23/654574523.db2.gz JFNMLGPFNMLDMM-DGCLKSJQSA-N 1 0 377.270 2.446 20 0 GEADRO O=S(=O)(CC[NH2+]C1CCN(OCc2ccccc2)CC1)CC(F)(F)F ZINC000926695288 654580443 /nfs/dbraw/zinc/58/04/43/654580443.db2.gz ZNDLARDFZGJTRI-UHFFFAOYSA-N 1 0 380.432 2.149 20 0 GEADRO COCc1csc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1 ZINC000926705398 654580447 /nfs/dbraw/zinc/58/04/47/654580447.db2.gz UPFJMXQSJMXCQV-LBPRGKRZSA-N 1 0 382.507 2.004 20 0 GEADRO CN1CC[C@H]([N@@H+]2CCO[C@H](CC(N)=O)C2)C[C@H]1c1ccc(Br)cc1 ZINC000926773533 654582081 /nfs/dbraw/zinc/58/20/81/654582081.db2.gz YWVABSALQYBZIV-BBWFWOEESA-N 1 0 396.329 2.161 20 0 GEADRO CCO[C@H](CNC(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl)C[NH+](C)C ZINC000926839501 654583398 /nfs/dbraw/zinc/58/33/98/654583398.db2.gz ZXXKLVQCWJPGQL-HWWQOWPSSA-N 1 0 375.872 2.167 20 0 GEADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC000926995930 654588994 /nfs/dbraw/zinc/58/89/94/654588994.db2.gz PLWMGGKVRNFWRZ-CQDIZWNASA-N 1 0 375.531 2.069 20 0 GEADRO CC[C@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000927002444 654589237 /nfs/dbraw/zinc/58/92/37/654589237.db2.gz WDODTUSAQFKRNM-HNNXBMFYSA-N 1 0 388.917 2.442 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC000927008739 654589637 /nfs/dbraw/zinc/58/96/37/654589637.db2.gz BESDKZVOHDXCMW-FZMZJTMJSA-N 1 0 388.452 2.341 20 0 GEADRO CC(C)[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(F)cc(Br)c1 ZINC000927029587 654590138 /nfs/dbraw/zinc/59/01/38/654590138.db2.gz TXSBAOYIPOZPAQ-ZIAGYGMSSA-N 1 0 382.295 2.280 20 0 GEADRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000927027985 654590321 /nfs/dbraw/zinc/59/03/21/654590321.db2.gz HPIIRAJAFFFZGA-TVQRCGJNSA-N 1 0 382.707 2.085 20 0 GEADRO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)CCC3)cc1 ZINC000927036046 654590496 /nfs/dbraw/zinc/59/04/96/654590496.db2.gz ZEPQHYVMIOBPPN-GJZGRUSLSA-N 1 0 380.535 2.491 20 0 GEADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927032319 654590510 /nfs/dbraw/zinc/59/05/10/654590510.db2.gz LKTVXXQRBVCZJM-HUUCEWRRSA-N 1 0 378.332 2.155 20 0 GEADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927032318 654590623 /nfs/dbraw/zinc/59/06/23/654590623.db2.gz LKTVXXQRBVCZJM-GJZGRUSLSA-N 1 0 378.332 2.155 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(F)(F)c1ncccc1Br ZINC000907933453 654590863 /nfs/dbraw/zinc/59/08/63/654590863.db2.gz AKIOSGWAPILFDU-NSHDSACASA-N 1 0 394.260 2.145 20 0 GEADRO CC[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000927080535 654591108 /nfs/dbraw/zinc/59/11/08/654591108.db2.gz KJHDNBMHROOPKD-HIFRSBDPSA-N 1 0 376.906 2.094 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927108251 654592940 /nfs/dbraw/zinc/59/29/40/654592940.db2.gz ZEKGUBVZJMRARL-CABCVRRESA-N 1 0 396.333 2.403 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927113401 654593993 /nfs/dbraw/zinc/59/39/93/654593993.db2.gz HEVGMJKSICDGIH-UKRRQHHQSA-N 1 0 396.333 2.403 20 0 GEADRO CN(C)C(=O)N1CCC([NH2+]C2(c3ncc(Br)cn3)CCC2)CC1 ZINC000927148481 654595184 /nfs/dbraw/zinc/59/51/84/654595184.db2.gz VIOQNTUENPBDTA-UHFFFAOYSA-N 1 0 382.306 2.354 20 0 GEADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000908116991 654605645 /nfs/dbraw/zinc/60/56/45/654605645.db2.gz FKHPOSZLLWNWCV-CQSZACIVSA-N 1 0 382.917 2.223 20 0 GEADRO Cn1cc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c(Br)n1 ZINC000927622236 654606553 /nfs/dbraw/zinc/60/65/53/654606553.db2.gz GKPLZQXYWMLAMC-ZDUSSCGKSA-N 1 0 387.347 2.016 20 0 GEADRO Cn1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000927630044 654607813 /nfs/dbraw/zinc/60/78/13/654607813.db2.gz MFPSSIDGFHATSS-OAHLLOKOSA-N 1 0 377.286 2.463 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000927810899 654615421 /nfs/dbraw/zinc/61/54/21/654615421.db2.gz NDJNEGRDAFBBTI-ZYHUDNBSSA-N 1 0 375.416 2.312 20 0 GEADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000927814932 654615455 /nfs/dbraw/zinc/61/54/55/654615455.db2.gz KRICOCRLLIDRIP-MNOVXSKESA-N 1 0 378.885 2.374 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C[C@H]1CC[NH3+] ZINC000927826968 654616031 /nfs/dbraw/zinc/61/60/31/654616031.db2.gz IKYZCELIRXZYPM-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C[C@H]1CC[NH3+] ZINC000927829256 654616212 /nfs/dbraw/zinc/61/62/12/654616212.db2.gz OQTQUEUQIKPUNK-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(SC(F)F)c2)C[C@H]1C(F)(F)F ZINC000927844760 654616712 /nfs/dbraw/zinc/61/67/12/654616712.db2.gz HSJVAKMPUHVSQJ-NXEZZACHSA-N 1 0 383.342 2.288 20 0 GEADRO CCOc1ccc(Cl)c(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000927842027 654616724 /nfs/dbraw/zinc/61/67/24/654616724.db2.gz IAJDDASPSILHIP-MWLCHTKSSA-N 1 0 379.766 2.025 20 0 GEADRO CSc1ccc(C)c(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000927846460 654617137 /nfs/dbraw/zinc/61/71/37/654617137.db2.gz QMWXVNOWSFHZMQ-RYUDHWBXSA-N 1 0 375.416 2.394 20 0 GEADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000927846694 654617153 /nfs/dbraw/zinc/61/71/53/654617153.db2.gz DQFLYNWTHVQMMK-QWRGUYRKSA-N 1 0 394.191 2.126 20 0 GEADRO COc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927848081 654617183 /nfs/dbraw/zinc/61/71/83/654617183.db2.gz GOQDOGDTIKMNTD-PSASIEDQSA-N 1 0 379.766 2.025 20 0 GEADRO CC1(C)CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C[C@@H]1[NH3+] ZINC000927851926 654617633 /nfs/dbraw/zinc/61/76/33/654617633.db2.gz FAOKOQBRNAPTTJ-ZDUSSCGKSA-N 1 0 391.269 2.132 20 0 GEADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCS[C@@H](C(F)(F)F)C1 ZINC000927858299 654617892 /nfs/dbraw/zinc/61/78/92/654617892.db2.gz QPQFGAXJWZSOKK-CYBMUJFWSA-N 1 0 375.416 2.241 20 0 GEADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc(Br)c(F)cc1F)C(C)C ZINC000927864714 654618399 /nfs/dbraw/zinc/61/83/99/654618399.db2.gz GCPGTTLWOCVYQX-UHFFFAOYSA-N 1 0 378.217 2.122 20 0 GEADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000927887556 654619849 /nfs/dbraw/zinc/61/98/49/654619849.db2.gz CQJBLHWYIPWPES-NSHDSACASA-N 1 0 391.269 2.133 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[C@H]1C[NH3+] ZINC000927889335 654620063 /nfs/dbraw/zinc/62/00/63/654620063.db2.gz CVIFYSZTMAKNJL-ZJUUUORDSA-N 1 0 375.803 2.323 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[C@@H]1C[NH3+] ZINC000927891256 654620431 /nfs/dbraw/zinc/62/04/31/654620431.db2.gz RQKDTPJFLLSRAD-DTWKUNHWSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC[C@H]1C[NH3+] ZINC000927891723 654620444 /nfs/dbraw/zinc/62/04/44/654620444.db2.gz PPZDHONHXSACOQ-IUCAKERBSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc(C)c1Br ZINC000927892687 654620680 /nfs/dbraw/zinc/62/06/80/654620680.db2.gz YCTUICKJGUXOGM-OLZOCXBDSA-N 1 0 382.302 2.448 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[C@@H]1C[NH3+] ZINC000927893959 654620947 /nfs/dbraw/zinc/62/09/47/654620947.db2.gz ZCNKUFCNYQCRKC-ZYHUDNBSSA-N 1 0 395.301 2.103 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000927894140 654620962 /nfs/dbraw/zinc/62/09/62/654620962.db2.gz PEVBONSQKKDUOM-QWHCGFSZSA-N 1 0 382.302 2.448 20 0 GEADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927925516 654621693 /nfs/dbraw/zinc/62/16/93/654621693.db2.gz RVERJGVNJBHAHE-MRXNPFEDSA-N 1 0 384.249 2.271 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cnnn3-c3ccccc3Br)C2)C1 ZINC000908362586 654622847 /nfs/dbraw/zinc/62/28/47/654622847.db2.gz KFTNAQRZTNRIMU-KRWDZBQOSA-N 1 0 390.285 2.198 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000908404250 654626099 /nfs/dbraw/zinc/62/60/99/654626099.db2.gz UBQQLVKSNCJWFR-KYJSFNMBSA-N 1 0 381.314 2.295 20 0 GEADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000908404255 654626225 /nfs/dbraw/zinc/62/62/25/654626225.db2.gz UBQQLVKSNCJWFR-LESCRADOSA-N 1 0 381.314 2.295 20 0 GEADRO O=C(CC1CCN(CC(F)(F)F)CC1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928070925 654628705 /nfs/dbraw/zinc/62/87/05/654628705.db2.gz BPJOHIHNUOVHLH-CABCVRRESA-N 1 0 379.492 2.347 20 0 GEADRO C[C@H](CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)n1cc(Br)cn1 ZINC000928075019 654628739 /nfs/dbraw/zinc/62/87/39/654628739.db2.gz CODXNDFCMVOIRM-XBFCOCLRSA-N 1 0 387.347 2.293 20 0 GEADRO Nc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1OC(F)(F)F ZINC000928083004 654629310 /nfs/dbraw/zinc/62/93/10/654629310.db2.gz SESOIOPUHRFEMN-QWHCGFSZSA-N 1 0 375.416 2.477 20 0 GEADRO O=C(CCOCC(F)(F)C(F)(F)F)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928085637 654629363 /nfs/dbraw/zinc/62/93/63/654629363.db2.gz JIVJDIGXOAORSW-QWRGUYRKSA-N 1 0 376.391 2.287 20 0 GEADRO Cn1ccnc1[C@H](CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C(F)(F)F ZINC000928085044 654629439 /nfs/dbraw/zinc/62/94/39/654629439.db2.gz GHMQRIUPBHKYOW-AVGNSLFASA-N 1 0 376.448 2.152 20 0 GEADRO O=C(Cc1ccc(Br)cc1O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928087340 654629459 /nfs/dbraw/zinc/62/94/59/654629459.db2.gz BZSIEQLMKXUOHL-UONOGXRCSA-N 1 0 385.327 2.393 20 0 GEADRO CSc1nc(C)c(CCC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(C)n1 ZINC000928095374 654630301 /nfs/dbraw/zinc/63/03/01/654630301.db2.gz JLSJWRIAVDTBHV-CVEARBPZSA-N 1 0 380.583 2.444 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000908596429 654634838 /nfs/dbraw/zinc/63/48/38/654634838.db2.gz ZFVYINHEEAXWOT-UHFFFAOYSA-N 1 0 386.949 2.362 20 0 GEADRO C[C@H]1[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000928454857 654648191 /nfs/dbraw/zinc/64/81/91/654648191.db2.gz LOOHYEIEKQJUPM-SMDDNHRTSA-N 1 0 383.290 2.170 20 0 GEADRO C[C@@](CO)(NC(=O)C1C[NH+](C2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000909328775 654660502 /nfs/dbraw/zinc/66/05/02/654660502.db2.gz PWIHTZNAUJCWAF-SFHVURJKSA-N 1 0 387.307 2.428 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000909441713 654664961 /nfs/dbraw/zinc/66/49/61/654664961.db2.gz GEQSUOSAWLGZTO-QGZVFWFLSA-N 1 0 398.345 2.015 20 0 GEADRO Cn1cc(Br)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1=O ZINC000929261728 654677303 /nfs/dbraw/zinc/67/73/03/654677303.db2.gz BGSGYCSOSKFRQR-OAHLLOKOSA-N 1 0 378.270 2.181 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)Nc3cc4c(cc3Br)OCCO4)C[C@H]2C1 ZINC000929309139 654679078 /nfs/dbraw/zinc/67/90/78/654679078.db2.gz RSRUTQWPKWEYAT-PHIMTYICSA-N 1 0 382.258 2.246 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nc(C(C)C)ncc2Br)C1 ZINC000929472466 654685268 /nfs/dbraw/zinc/68/52/68/654685268.db2.gz QBKFVKSZCOVRLA-ZDUSSCGKSA-N 1 0 399.333 2.449 20 0 GEADRO CS(=O)(=O)N1CC(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)C1 ZINC000929825781 654692684 /nfs/dbraw/zinc/69/26/84/654692684.db2.gz RPUSHOJIMGPANY-KRWDZBQOSA-N 1 0 380.535 2.175 20 0 GEADRO O[C@H](C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C1(O)CCOCC1 ZINC000929835958 654692932 /nfs/dbraw/zinc/69/29/32/654692932.db2.gz DVNBNRLGZTZPSS-XJKSGUPXSA-N 1 0 376.280 2.349 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)[C@H](C)C1 ZINC000910282011 654695129 /nfs/dbraw/zinc/69/51/29/654695129.db2.gz RCAURPXLITUUCL-GFCCVEGCSA-N 1 0 396.289 2.238 20 0 GEADRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(Br)nc3N)CC2)CC1 ZINC000930045974 654697937 /nfs/dbraw/zinc/69/79/37/654697937.db2.gz YXZUIMAALQTLHV-UHFFFAOYSA-N 1 0 396.377 2.417 20 0 GEADRO O[C@@H](C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)C1(O)CCOCC1 ZINC000930057348 654698226 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CC[NH2+]Cc1cccc(NC(=O)c2cn(C)nc2I)c1 ZINC000911682839 654729699 /nfs/dbraw/zinc/72/96/99/654729699.db2.gz PUODDBUXTMYHBH-UHFFFAOYSA-N 1 0 384.221 2.387 20 0 GEADRO Cc1c(C(=O)NC[C@@H]2CCCC[NH2+]2)nnn1-c1ccccc1Br ZINC000911713604 654730416 /nfs/dbraw/zinc/73/04/16/654730416.db2.gz JGPLXILHCKFCDY-LBPRGKRZSA-N 1 0 378.274 2.210 20 0 GEADRO [NH3+][C@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)c1ccccc1 ZINC000911762307 654731555 /nfs/dbraw/zinc/73/15/55/654731555.db2.gz BWXFKGVRPLOPFF-OAHLLOKOSA-N 1 0 376.254 2.376 20 0 GEADRO OC[C@]1([NH2+]C[C@H]2CCC3(COC3)O2)CCc2cc(Br)ccc2C1 ZINC000931175041 654731893 /nfs/dbraw/zinc/73/18/93/654731893.db2.gz CLGCFBYWOJJZKL-SJORKVTESA-N 1 0 382.298 2.207 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cnc1C1CC1 ZINC000931187584 654732378 /nfs/dbraw/zinc/73/23/78/654732378.db2.gz WAZPNXGSOHSNSW-ZIAGYGMSSA-N 1 0 380.286 2.315 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)cc(Br)c1F ZINC000931190210 654732488 /nfs/dbraw/zinc/73/24/88/654732488.db2.gz 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O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N1CCC[C@@H]1c1ccccc1Cl ZINC000912394836 654752235 /nfs/dbraw/zinc/75/22/35/654752235.db2.gz PMQIWDOXTONFIJ-ODVANORSSA-N 1 0 382.913 2.026 20 0 GEADRO O=C(Nc1nc2ccc(Cl)nc2s1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000931848752 654758986 /nfs/dbraw/zinc/75/89/86/654758986.db2.gz BASWZZLNPBQTAX-NWDGAFQWSA-N 1 0 381.889 2.408 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1cc(Br)ccc1OC(F)F ZINC000912599182 654760405 /nfs/dbraw/zinc/76/04/05/654760405.db2.gz KRKUZHVZJIKUMC-UHFFFAOYSA-N 1 0 381.217 2.047 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)CC[N@H+](C)CCO ZINC000912607936 654760609 /nfs/dbraw/zinc/76/06/09/654760609.db2.gz ORTCHLPPDKLEID-GFCCVEGCSA-N 1 0 375.282 2.149 20 0 GEADRO CN(CC[N@H+](C)CCO)C(=O)c1ccc(-c2ccccc2Br)n1C ZINC000912606667 654760756 /nfs/dbraw/zinc/76/07/56/654760756.db2.gz JPEJGIQBBOIUGX-UHFFFAOYSA-N 1 0 394.313 2.451 20 0 GEADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1cccc(-c2nnsc2Cl)c1 ZINC000931937367 654761999 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20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1nccc2c(Br)cccc21 ZINC000932185646 654769446 /nfs/dbraw/zinc/76/94/46/654769446.db2.gz FYFQCJYKEXJPAX-CYBMUJFWSA-N 1 0 391.313 2.363 20 0 GEADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000932203322 654769945 /nfs/dbraw/zinc/76/99/45/654769945.db2.gz MSGMTAKIAYILGX-AWEZNQCLSA-N 1 0 381.523 2.124 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)COC[C@@H]1CCCO1 ZINC000932212497 654770690 /nfs/dbraw/zinc/77/06/90/654770690.db2.gz SGQKAMXXPIPQFW-IJEWVQPXSA-N 1 0 386.286 2.419 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918012 654774224 /nfs/dbraw/zinc/77/42/24/654774224.db2.gz SMOHTFCOHBZMSS-HOTGVXAUSA-N 1 0 379.913 2.162 20 0 GEADRO CCO[C@@H](CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)C[NH+](C)C ZINC000932467745 654778715 /nfs/dbraw/zinc/77/87/15/654778715.db2.gz DQJAAPDSXRBNQR-LBPRGKRZSA-N 1 0 390.311 2.035 20 0 GEADRO CCO[C@H](CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000932476180 654778916 /nfs/dbraw/zinc/77/89/16/654778916.db2.gz YPHYHIOVLVAVLE-OAHLLOKOSA-N 1 0 390.311 2.035 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000932538566 654780730 /nfs/dbraw/zinc/78/07/30/654780730.db2.gz SYKYTGXTDYICHK-UHFFFAOYSA-N 1 0 385.306 2.246 20 0 GEADRO C[NH+]1CCC(OCC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000932553991 654781890 /nfs/dbraw/zinc/78/18/90/654781890.db2.gz UMFMKSVPLAUVRP-AWEZNQCLSA-N 1 0 396.329 2.255 20 0 GEADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(Cc2cccc(Br)c2)C1 ZINC000913095947 654782683 /nfs/dbraw/zinc/78/26/83/654782683.db2.gz ZAIKWOZULUFLLL-CQSZACIVSA-N 1 0 381.314 2.418 20 0 GEADRO C[C@H](CNC(=O)c1nccc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000932722535 654787005 /nfs/dbraw/zinc/78/70/05/654787005.db2.gz CSRWDWOVXKECHG-CYBMUJFWSA-N 1 0 391.313 2.363 20 0 GEADRO CCC1([NH+]2CCOCC2)CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000913330921 654788959 /nfs/dbraw/zinc/78/89/59/654788959.db2.gz LHEYNFYYMSVBMN-GFCCVEGCSA-N 1 0 387.735 2.211 20 0 GEADRO CCOc1ccc([C@@]2(C(=O)NCC[N@@H+]3CC[C@H](O)C3)CC2(Cl)Cl)cc1 ZINC000913352949 654789579 /nfs/dbraw/zinc/78/95/79/654789579.db2.gz ZYBGKOZVVABLAU-WMLDXEAASA-N 1 0 387.307 2.084 20 0 GEADRO C[NH+](C)C1(C)CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000913387461 654790105 /nfs/dbraw/zinc/79/01/05/654790105.db2.gz RASRLGPBZVRNNQ-HNNXBMFYSA-N 1 0 395.297 2.473 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ncc(Br)cn2)[C@H](C)C1 ZINC000932948998 654796323 /nfs/dbraw/zinc/79/63/23/654796323.db2.gz NJPSHFFDKRTJJM-TZMCWYRMSA-N 1 0 385.306 2.106 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ncc(Br)cn2)[C@@H](C)C1 ZINC000932948989 654796367 /nfs/dbraw/zinc/79/63/67/654796367.db2.gz NJPSHFFDKRTJJM-GXTWGEPZSA-N 1 0 385.306 2.106 20 0 GEADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccncc2Br)CC1 ZINC000913531674 654797340 /nfs/dbraw/zinc/79/73/40/654797340.db2.gz ZEAXPUPVOQBCLC-UHFFFAOYSA-N 1 0 383.334 2.267 20 0 GEADRO O=C(NC12CC[NH+](CC1)C2)c1cc(I)c(F)cc1F ZINC000913631605 654802128 /nfs/dbraw/zinc/80/21/28/654802128.db2.gz UHDSUPGIHBYLMJ-UHFFFAOYSA-N 1 0 378.160 2.147 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000913677464 654803806 /nfs/dbraw/zinc/80/38/06/654803806.db2.gz QMYAUWPLULMFDB-UHFFFAOYSA-N 1 0 391.256 2.456 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000913678244 654803927 /nfs/dbraw/zinc/80/39/27/654803927.db2.gz XZXCFZQLSWCANC-UHFFFAOYSA-N 1 0 377.229 2.256 20 0 GEADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000913683590 654804248 /nfs/dbraw/zinc/80/42/48/654804248.db2.gz JCUXRWVPOFOBIU-UHFFFAOYSA-N 1 0 379.448 2.096 20 0 GEADRO O=C(Nc1c(F)ccc(Br)c1F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000933302209 654807342 /nfs/dbraw/zinc/80/73/42/654807342.db2.gz UEHFWQWSPHHXMU-DTWKUNHWSA-N 1 0 376.201 2.010 20 0 GEADRO COC[C@H](NC(=O)c1ccnn1CC[NH+](C)C)c1cccc(Br)c1 ZINC000913764177 654808264 /nfs/dbraw/zinc/80/82/64/654808264.db2.gz GIBLWKSVYIMIDK-HNNXBMFYSA-N 1 0 395.301 2.325 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000913814423 654810446 /nfs/dbraw/zinc/81/04/46/654810446.db2.gz VSZGPESIBXDTIT-GJZGRUSLSA-N 1 0 380.286 2.254 20 0 GEADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438172 654813446 /nfs/dbraw/zinc/81/34/46/654813446.db2.gz STPKUQRLCZYOME-KRWDZBQOSA-N 1 0 395.301 2.311 20 0 GEADRO CC(C)(C)n1nnc(CC[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)n1 ZINC000933438870 654813513 /nfs/dbraw/zinc/81/35/13/654813513.db2.gz HESNTFSADFFVCK-KRWDZBQOSA-N 1 0 396.333 2.316 20 0 GEADRO C[C@@](O)(C[C@@H](O)C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1)C1CC1 ZINC000933442493 654813674 /nfs/dbraw/zinc/81/36/74/654813674.db2.gz SGBOQEFGJWAUDO-KZNAEPCWSA-N 1 0 386.330 2.244 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)NCc1cnc(Br)cn1)c1ccccc1 ZINC000913948385 654817857 /nfs/dbraw/zinc/81/78/57/654817857.db2.gz FRYUJIOMFPHHBZ-AWEZNQCLSA-N 1 0 378.274 2.341 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(C)c1I ZINC000933733825 654822525 /nfs/dbraw/zinc/82/25/25/654822525.db2.gz WXEZSYBWBFBGDA-SNVBAGLBSA-N 1 0 391.257 2.021 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1occc1Br ZINC000914076699 654824889 /nfs/dbraw/zinc/82/48/89/654824889.db2.gz IAILYIMNJWCOMA-UHFFFAOYSA-N 1 0 388.287 2.190 20 0 GEADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccc(Br)o3)o1)C2 ZINC000933760991 654826927 /nfs/dbraw/zinc/82/69/27/654826927.db2.gz CASVWHHUSMBRCA-VFZGTOFNSA-N 1 0 381.230 2.180 20 0 GEADRO CC[N@H+](CCC(=O)NC)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000933868221 654828603 /nfs/dbraw/zinc/82/86/03/654828603.db2.gz XUMFJOYTAYWKNT-CYBMUJFWSA-N 1 0 384.318 2.254 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]1C1OCCO1 ZINC000933907170 654829421 /nfs/dbraw/zinc/82/94/21/654829421.db2.gz JYSJVXSWKZAWBG-OAHLLOKOSA-N 1 0 383.286 2.245 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933975391 654832322 /nfs/dbraw/zinc/83/23/22/654832322.db2.gz FVFGRYKLNWRYND-HUUCEWRRSA-N 1 0 377.447 2.485 20 0 GEADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000914185084 654833423 /nfs/dbraw/zinc/83/34/23/654833423.db2.gz UTYUMQDZXGJNOT-GXFFZTMASA-N 1 0 379.295 2.490 20 0 GEADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914187110 654833437 /nfs/dbraw/zinc/83/34/37/654833437.db2.gz HWJCANYQWARWNB-BSNNYGBQSA-N 1 0 387.449 2.208 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)N2CCN(C)CC[N@H+](C)CC2)ccc1Br ZINC000933994453 654833640 /nfs/dbraw/zinc/83/36/40/654833640.db2.gz QGNYVNMTSHXUCG-HNNXBMFYSA-N 1 0 397.361 2.264 20 0 GEADRO C[C@@H](NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)[C@H](O)c1c(F)cccc1Cl ZINC000914209654 654835481 /nfs/dbraw/zinc/83/54/81/654835481.db2.gz AKCSOIZXUVVCTN-DQYPLSBCSA-N 1 0 390.908 2.306 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)c2ccc3c(Br)cnn3c2)CCSC1 ZINC000934077141 654835809 /nfs/dbraw/zinc/83/58/09/654835809.db2.gz CRMKPHBMYBTGDP-HNNXBMFYSA-N 1 0 383.315 2.264 20 0 GEADRO COC(=O)C1CCC(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)CC1 ZINC000914235577 654837293 /nfs/dbraw/zinc/83/72/93/654837293.db2.gz ZIZVUHMZUKDINC-UHFFFAOYSA-N 1 0 388.555 2.173 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H](O)c1ccc(F)c(Br)c1 ZINC000934263082 654841013 /nfs/dbraw/zinc/84/10/13/654841013.db2.gz AWNXTIYNRIXLNK-ZACQAIPSSA-N 1 0 387.293 2.153 20 0 GEADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)c1ccc(F)c(Br)c1 ZINC000934263075 654841024 /nfs/dbraw/zinc/84/10/24/654841024.db2.gz AWNXTIYNRIXLNK-IKGGRYGDSA-N 1 0 387.293 2.153 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934372127 654847418 /nfs/dbraw/zinc/84/74/18/654847418.db2.gz MBRZWWCZWKTSEU-GFCCVEGCSA-N 1 0 388.310 2.459 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cnc(Br)cn1 ZINC000914356610 654847934 /nfs/dbraw/zinc/84/79/34/654847934.db2.gz LOYHJIZWFUENLW-FRRDWIJNSA-N 1 0 384.322 2.405 20 0 GEADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2c(Br)cnn2C2CC2)CC1 ZINC000934377217 654848171 /nfs/dbraw/zinc/84/81/71/654848171.db2.gz HPISEIHJOQKYFK-UHFFFAOYSA-N 1 0 399.337 2.128 20 0 GEADRO C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000914364087 654848567 /nfs/dbraw/zinc/84/85/67/654848567.db2.gz OTSOIMZKUVKFAO-CZUORRHYSA-N 1 0 381.318 2.279 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc2c(Br)cnn2c1 ZINC000934387942 654848656 /nfs/dbraw/zinc/84/86/56/654848656.db2.gz LWAGHOMRDQPLOX-ZDUSSCGKSA-N 1 0 383.290 2.183 20 0 GEADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934496674 654851169 /nfs/dbraw/zinc/85/11/69/654851169.db2.gz CHTHGRPNVPLVKF-CYBMUJFWSA-N 1 0 383.208 2.267 20 0 GEADRO O=C(NCc1ncc(Br)cn1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000914436127 654854456 /nfs/dbraw/zinc/85/44/56/654854456.db2.gz PPVKFJNOQWDFOE-CYBMUJFWSA-N 1 0 382.306 2.160 20 0 GEADRO Cc1[nH]nc(Br)c1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000934734308 654856395 /nfs/dbraw/zinc/85/63/95/654856395.db2.gz DXKZGYVKUALZCP-LLVKDONJSA-N 1 0 379.258 2.450 20 0 GEADRO CN(C)S(=O)(=O)c1cccc(NC(=S)NCC[NH+]2CCCCCC2)c1 ZINC000914703121 654856591 /nfs/dbraw/zinc/85/65/91/654856591.db2.gz OVRLYGSTVXIZMI-UHFFFAOYSA-N 1 0 384.571 2.099 20 0 GEADRO OC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1I ZINC000934828926 654862538 /nfs/dbraw/zinc/86/25/38/654862538.db2.gz VEEWLSIEICJERU-KCJUWKMLSA-N 1 0 389.155 2.228 20 0 GEADRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934772056 654858985 /nfs/dbraw/zinc/85/89/85/654858985.db2.gz CMPVADHBSXMXKK-ACJLOTCBSA-N 1 0 381.929 2.388 20 0 GEADRO NC(=O)CC1([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCCCC1 ZINC000934824269 654861287 /nfs/dbraw/zinc/86/12/87/654861287.db2.gz WDLYBHDRMABIFZ-UHFFFAOYSA-N 1 0 393.285 2.125 20 0 GEADRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000915109430 654862960 /nfs/dbraw/zinc/86/29/60/654862960.db2.gz CSJNQSGYHQXIEK-UHFFFAOYSA-N 1 0 385.555 2.266 20 0 GEADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(=O)[nH]cc1Br ZINC000934911767 654866388 /nfs/dbraw/zinc/86/63/88/654866388.db2.gz DEQMHYGVPDRCRZ-CABCVRRESA-N 1 0 398.301 2.047 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000935002185 654870381 /nfs/dbraw/zinc/87/03/81/654870381.db2.gz QZXPMDNYQBWOEV-ZDUSSCGKSA-N 1 0 384.318 2.246 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000915691345 654876829 /nfs/dbraw/zinc/87/68/29/654876829.db2.gz WVCDONVYDDXHPH-AWEZNQCLSA-N 1 0 386.323 2.208 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c1F ZINC000915822579 654880090 /nfs/dbraw/zinc/88/00/90/654880090.db2.gz PRYCICHLXMFZDE-SECBINFHSA-N 1 0 383.283 2.073 20 0 GEADRO C[NH+](C)CC1(CNC(=O)c2cc(Br)cn3ncnc23)CCCC1 ZINC000935388275 654891026 /nfs/dbraw/zinc/89/10/26/654891026.db2.gz MHLNBADNLXSUOH-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO COc1cc(Br)cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000935445778 654894085 /nfs/dbraw/zinc/89/40/85/654894085.db2.gz NVRFFZUQQSRLDL-ZDUSSCGKSA-N 1 0 384.318 2.214 20 0 GEADRO COc1cc(Br)cc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000935819483 654919048 /nfs/dbraw/zinc/91/90/48/654919048.db2.gz YDEGJAJZUGZSBK-UHFFFAOYSA-N 1 0 384.318 2.214 20 0 GEADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn2ncnc12 ZINC000935977794 654931381 /nfs/dbraw/zinc/93/13/81/654931381.db2.gz STTPFHXLDAAYQQ-SMDDNHRTSA-N 1 0 378.274 2.191 20 0 GEADRO O=C(c1cc(Br)cnc1C1CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935982745 654931744 /nfs/dbraw/zinc/93/17/44/654931744.db2.gz FKYFDGYJTFVKMB-ZIAGYGMSSA-N 1 0 380.286 2.003 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4cc(Cl)cs4)C[C@H]32)CC[N@@H+]1C ZINC000972418177 654942013 /nfs/dbraw/zinc/94/20/13/654942013.db2.gz ZSTUSUMJCUWROK-QHSBEEBCSA-N 1 0 381.929 2.415 20 0 GEADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1Cl)C2 ZINC000996595254 654948671 /nfs/dbraw/zinc/94/86/71/654948671.db2.gz BIAVVIVITKWQKX-RNJOBUHISA-N 1 0 382.917 2.143 20 0 GEADRO CS(=O)(=O)c1cc(C(F)(F)N2CCC3(CC([NH3+])C3)CC2)cnc1Cl ZINC001164386624 718802637 /nfs/dbraw/zinc/80/26/37/718802637.db2.gz AYEHPUFVFCYNBT-UHFFFAOYSA-N 1 0 379.860 2.391 20 0 GEADRO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)nc(Cl)c2c1 ZINC001164389702 718824849 /nfs/dbraw/zinc/82/48/49/718824849.db2.gz JIEWDDSUDKXIPL-UONOGXRCSA-N 1 0 384.814 2.404 20 0 GEADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164399938 718842039 /nfs/dbraw/zinc/84/20/39/718842039.db2.gz LCUFHCDKGXOCOU-OAHLLOKOSA-N 1 0 379.842 2.436 20 0 GEADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164401574 718853575 /nfs/dbraw/zinc/85/35/75/718853575.db2.gz BYFXXDKMXFZFRK-MEBBXXQBSA-N 1 0 386.855 2.422 20 0 GEADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164402978 718853633 /nfs/dbraw/zinc/85/36/33/718853633.db2.gz HCKXWTQMQDJZDP-GUYCJALGSA-N 1 0 380.826 2.360 20 0 GEADRO Clc1nc2c(c(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164406559 718861993 /nfs/dbraw/zinc/86/19/93/718861993.db2.gz VJLGHPLIBCKPPQ-APWZRJJASA-N 1 0 399.926 2.461 20 0 GEADRO Clc1nc2c(c(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164406565 718862034 /nfs/dbraw/zinc/86/20/34/718862034.db2.gz VJLGHPLIBCKPPQ-VQIMIIECSA-N 1 0 399.926 2.461 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)cc(Cl)n1 ZINC001164614053 719013150 /nfs/dbraw/zinc/01/31/50/719013150.db2.gz BTKUVSOGPBDOEF-CIUDSAMLSA-N 1 0 381.210 2.058 20 0 GEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(OC)nc1Cl ZINC001164618715 719014847 /nfs/dbraw/zinc/01/48/47/719014847.db2.gz SNFIEMQOPWGBGL-DLOVCJGASA-N 1 0 375.803 2.018 20 0 GEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164620848 719016892 /nfs/dbraw/zinc/01/68/92/719016892.db2.gz ZRUNMMSMLAUKNJ-UTLUCORTSA-N 1 0 395.237 2.144 20 0 GEADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(COC)nc(C)n3)CC2)CC1 ZINC001164613927 719025392 /nfs/dbraw/zinc/02/53/92/719025392.db2.gz JZJNNBVRMJWKBA-UHFFFAOYSA-N 1 0 376.501 2.175 20 0 GEADRO CNS(=O)(=O)c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630425 719086760 /nfs/dbraw/zinc/08/67/60/719086760.db2.gz WJJCATFFOFXLJE-MSOLQXFVSA-N 1 0 386.521 2.091 20 0 GEADRO Cc1nc(-n2cncn2)cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164629526 719107777 /nfs/dbraw/zinc/10/77/77/719107777.db2.gz SJIBMMIQHJGPQS-MOPGFXCFSA-N 1 0 375.480 2.467 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164633681 719136321 /nfs/dbraw/zinc/13/63/21/719136321.db2.gz SKSGUWBPPIPJBA-AWEZNQCLSA-N 1 0 382.798 2.293 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001164640772 719180052 /nfs/dbraw/zinc/18/00/52/719180052.db2.gz VZGXIAMMZUAFMZ-LSDHHAIUSA-N 1 0 385.493 2.197 20 0 GEADRO CCOC(=O)C1CCN(c2ccc(N3CC[NH+](CC(C)C)CC3)nn2)CC1 ZINC001164654487 719335212 /nfs/dbraw/zinc/33/52/12/719335212.db2.gz RNZZPHMHAFVXRF-UHFFFAOYSA-N 1 0 375.517 2.034 20 0 GEADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C[C@H]21 ZINC001164665300 719377050 /nfs/dbraw/zinc/37/70/50/719377050.db2.gz AYJSOLYVKINAPH-RTBURBONSA-N 1 0 399.926 2.208 20 0 GEADRO Cc1sc2nc(CN3CCCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1C ZINC000301674373 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GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(N)=O)c(Cl)cn1)C2 ZINC001164808555 720078451 /nfs/dbraw/zinc/07/84/51/720078451.db2.gz HZRNIBIZMFISNL-IFXJQAMLSA-N 1 0 378.904 2.019 20 0 GEADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1COC3)C2 ZINC001164811826 720094019 /nfs/dbraw/zinc/09/40/19/720094019.db2.gz PSGAUJONMPLLPU-IFXJQAMLSA-N 1 0 378.904 2.345 20 0 GEADRO Cc1ccc(Cl)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164714414 720165322 /nfs/dbraw/zinc/16/53/22/720165322.db2.gz OZJYDIZOUPBJKP-MRXNPFEDSA-N 1 0 390.919 2.388 20 0 GEADRO Cn1nnc2c1CCN(c1cc(Cl)ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714707 720166542 /nfs/dbraw/zinc/16/65/42/720166542.db2.gz RQCKNNXDPCDPQZ-INIZCTEOSA-N 1 0 376.892 2.080 20 0 GEADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ncn3C1CC1)C2 ZINC001164815014 720172967 /nfs/dbraw/zinc/17/29/67/720172967.db2.gz GMZMQIVTQOJVQP-IERDGZPVSA-N 1 0 382.512 2.346 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3ccccc31)CCC2 ZINC001164815274 720210319 /nfs/dbraw/zinc/21/03/19/720210319.db2.gz YBBDLRBQFSFNQO-UHFFFAOYSA-N 1 0 378.480 2.437 20 0 GEADRO CSc1cc(C)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164812880 720224545 /nfs/dbraw/zinc/22/45/45/720224545.db2.gz JZVNFJYQBUWBGK-UHFFFAOYSA-N 1 0 388.541 2.314 20 0 GEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc3cnccc31)CCC2 ZINC001164813804 720228743 /nfs/dbraw/zinc/22/87/43/720228743.db2.gz PGTAUMMWIKEGBY-UHFFFAOYSA-N 1 0 378.480 2.437 20 0 GEADRO Cc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC1CC1 ZINC001164817630 720286274 /nfs/dbraw/zinc/28/62/74/720286274.db2.gz FLLWTIJICGTCFU-RTBURBONSA-N 1 0 398.555 2.271 20 0 GEADRO Cc1cc2c(ncnc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164818644 720308230 /nfs/dbraw/zinc/30/82/30/720308230.db2.gz AXKNNQBBMMNTCD-MSOLQXFVSA-N 1 0 382.512 2.178 20 0 GEADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164818645 720308691 /nfs/dbraw/zinc/30/86/91/720308691.db2.gz AXKNNQBBMMNTCD-QZTJIDSGSA-N 1 0 382.512 2.178 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(OCC3CC3)ncn2)CC1 ZINC001164827769 720324516 /nfs/dbraw/zinc/32/45/16/720324516.db2.gz IKNZAZLTBNXSFI-OALUTQOASA-N 1 0 399.539 2.177 20 0 GEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(C(F)F)n2)CC1 ZINC001164831407 720333406 /nfs/dbraw/zinc/33/34/06/720333406.db2.gz RXHCSBQRQRAHJW-JKSUJKDBSA-N 1 0 379.455 2.326 20 0 GEADRO Cc1cnc2c(ccnc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826641 720347249 /nfs/dbraw/zinc/34/72/49/720347249.db2.gz KPEOPWYEQIUYME-MOPGFXCFSA-N 1 0 394.523 2.245 20 0 GEADRO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164723684 720353443 /nfs/dbraw/zinc/35/34/43/720353443.db2.gz IMXMKQGUXOCUGE-DLBZAZTESA-N 1 0 392.463 2.383 20 0 GEADRO Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3cccc(N4CC[NH+](C)CC4)n3)O2)n1 ZINC001164830087 720407064 /nfs/dbraw/zinc/40/70/64/720407064.db2.gz PRZUVHGXNQDFNC-BBWFWOEESA-N 1 0 384.484 2.024 20 0 GEADRO 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C[N@H+](Cc1ccc(N2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)nc1)C1CC1 ZINC001164885009 721377408 /nfs/dbraw/zinc/37/74/08/721377408.db2.gz BNCKJKHZHWYYHB-FQEVSTJZSA-N 1 0 392.569 2.460 20 0 GEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc5ccccc5n4)C3)O2)CC1 ZINC001164891042 721380061 /nfs/dbraw/zinc/38/00/61/721380061.db2.gz QGPRAHUUYPCDCE-DENIHFKCSA-N 1 0 381.524 2.395 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc5ccccc5n4)C3)O2)CC1 ZINC001164889286 721385630 /nfs/dbraw/zinc/38/56/30/721385630.db2.gz LLSIMMBBESQVOC-AVRDEDQJSA-N 1 0 381.524 2.395 20 0 GEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(N)cc(Cl)n4)C3)O2)CC1 ZINC001164886257 721402919 /nfs/dbraw/zinc/40/29/19/721402919.db2.gz IJXNVBRFCBUWQI-QFBILLFUSA-N 1 0 379.936 2.083 20 0 GEADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5cccnc5n4)C3)O2)CC1 ZINC001164884050 721406760 /nfs/dbraw/zinc/40/67/60/721406760.db2.gz DACSZNDZCPBEGD-KNQAVFIVSA-N 1 0 381.524 2.395 20 0 GEADRO Cc1nc(Cl)cnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883754 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393.495 2.009 20 0 GEADRO CCc1nc2sccc2c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164795378 721521454 /nfs/dbraw/zinc/52/14/54/721521454.db2.gz NWYCNSKMLJXKAF-UHFFFAOYSA-N 1 0 397.552 2.218 20 0 GEADRO COC(=O)c1cccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164794875 721528168 /nfs/dbraw/zinc/52/81/68/721528168.db2.gz IUMXYYYZIANJKK-BJLQDIEVSA-N 1 0 382.464 2.131 20 0 GEADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(F)c1 ZINC001164904148 721528512 /nfs/dbraw/zinc/52/85/12/721528512.db2.gz FKMOPEUEQFEWOB-WBVHZDCISA-N 1 0 389.402 2.488 20 0 GEADRO COC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1C ZINC001164802259 721561616 /nfs/dbraw/zinc/56/16/16/721561616.db2.gz HVIQVVSVWVRWTF-IRFCIJBXSA-N 1 0 396.491 2.440 20 0 GEADRO NC(=S)Nc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164905303 721562164 /nfs/dbraw/zinc/56/21/64/721562164.db2.gz GPCZNJXYWZBIKH-NVXWUHKLSA-N 1 0 387.484 2.218 20 0 GEADRO COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2c1ccn2C ZINC001164908586 721565532 /nfs/dbraw/zinc/56/55/32/721565532.db2.gz QNXRYVMTVOFXCN-WBVHZDCISA-N 1 0 397.454 2.458 20 0 GEADRO COCc1nc(OC)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907224 721565800 /nfs/dbraw/zinc/56/58/00/721565800.db2.gz MUBJNMUQFZZUII-WBVHZDCISA-N 1 0 388.443 2.113 20 0 GEADRO NC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906681 721585370 /nfs/dbraw/zinc/58/53/70/721585370.db2.gz OLSNDNOXVABKIJ-LJQANCHMSA-N 1 0 387.434 2.313 20 0 GEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2c[nH]c3ncnc(Cl)c23)CC1 ZINC001165007265 721731712 /nfs/dbraw/zinc/73/17/12/721731712.db2.gz APZXMGPUTWCUHB-UHFFFAOYSA-N 1 0 376.892 2.086 20 0 GEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c2ccn3C)CC1 ZINC001165011924 721734830 /nfs/dbraw/zinc/73/48/30/721734830.db2.gz XTRVWARDTHVSSN-UHFFFAOYSA-N 1 0 390.919 2.145 20 0 GEADRO Cc1cnc2n1CCN(C)C21CCN(c2nc(N3CCCC3)cc(C)[nH+]2)CC1 ZINC001164916415 721811864 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Clc1nc(N2CCOCC2)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165049419 721967440 /nfs/dbraw/zinc/96/74/40/721967440.db2.gz SOOWDCQIAKFPPQ-HNNXBMFYSA-N 1 0 380.924 2.206 20 0 GEADRO Clc1nc(N2CCOCC2)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165049420 721967549 /nfs/dbraw/zinc/96/75/49/721967549.db2.gz SOOWDCQIAKFPPQ-OAHLLOKOSA-N 1 0 380.924 2.206 20 0 GEADRO COC(=O)c1ccc2nc(N3CC[NH+](CCc4ccccn4)CC3)ncc2c1 ZINC001165053844 722009507 /nfs/dbraw/zinc/00/95/07/722009507.db2.gz MOSTXQYYTJVVRM-UHFFFAOYSA-N 1 0 377.448 2.176 20 0 GEADRO CCOC(=O)Cc1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nn1 ZINC001164956161 722019777 /nfs/dbraw/zinc/01/97/77/722019777.db2.gz XIKXVGRIXOKPID-UHFFFAOYSA-N 1 0 395.507 2.470 20 0 GEADRO CN(C)C(=O)c1cncc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955499 722022327 /nfs/dbraw/zinc/02/23/27/722022327.db2.gz JLFUEXNNVYFVNJ-UHFFFAOYSA-N 1 0 380.496 2.066 20 0 GEADRO C[C@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2)C1 ZINC001164967531 722075464 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C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CC[C@@H]21 ZINC000154922061 531641860 /nfs/dbraw/zinc/64/18/60/531641860.db2.gz PCIVNPURZNYIHM-ZBFHGGJFSA-N 1 0 394.313 2.122 20 0 GEADRO CNC(=O)CCC[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000155253583 531668723 /nfs/dbraw/zinc/66/87/23/531668723.db2.gz KNMPMHPKUDLRBU-LBPRGKRZSA-N 1 0 393.709 2.300 20 0 GEADRO COc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1Br ZINC000042579825 531670343 /nfs/dbraw/zinc/67/03/43/531670343.db2.gz LROQQDAGXGTDRL-MRXNPFEDSA-N 1 0 398.345 2.460 20 0 GEADRO C[C@@H](NC(=O)c1cccs1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000031958450 531648244 /nfs/dbraw/zinc/64/82/44/531648244.db2.gz JBAHUSRSJPTWKM-CQSZACIVSA-N 1 0 381.567 2.344 20 0 GEADRO C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000155040629 531651252 /nfs/dbraw/zinc/65/12/52/531651252.db2.gz HMSBRROSZYXTEQ-IUODEOHRSA-N 1 0 382.302 2.120 20 0 GEADRO C[C@H](NC(=O)CNC(=O)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000155046117 531651388 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CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000041640421 531667195 /nfs/dbraw/zinc/66/71/95/531667195.db2.gz YFJBYKNNPVXDNI-LBPRGKRZSA-N 1 0 387.311 2.074 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000041625476 531667256 /nfs/dbraw/zinc/66/72/56/531667256.db2.gz IRCXJQXFSFMYQO-ZDUSSCGKSA-N 1 0 391.331 2.089 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1Br ZINC000155293901 531672975 /nfs/dbraw/zinc/67/29/75/531672975.db2.gz ITPXHLPUSFXUTO-SNVBAGLBSA-N 1 0 377.279 2.351 20 0 GEADRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000044560329 531682625 /nfs/dbraw/zinc/68/26/25/531682625.db2.gz FEMKNHPTXNZNHA-NSHDSACASA-N 1 0 377.304 2.078 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000044529222 531682989 /nfs/dbraw/zinc/68/29/89/531682989.db2.gz WLBIHJBMNGJRQO-GFCCVEGCSA-N 1 0 387.265 2.209 20 0 GEADRO C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)Cc1ccc(Cl)s1 ZINC000044898937 531688596 /nfs/dbraw/zinc/68/85/96/531688596.db2.gz 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531737804 /nfs/dbraw/zinc/73/78/04/531737804.db2.gz UTOFRJPTWWGGFP-ZBFHGGJFSA-N 1 0 399.329 2.427 20 0 GEADRO [NH3+][C@@H]1CCCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000157738365 531753557 /nfs/dbraw/zinc/75/35/57/531753557.db2.gz BRJBQVDKIOZUHS-SNVBAGLBSA-N 1 0 385.287 2.443 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000157855626 531757963 /nfs/dbraw/zinc/75/79/63/531757963.db2.gz QUWMIVMZESDNIY-OCCSQVGLSA-N 1 0 387.933 2.274 20 0 GEADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1Br ZINC000053254478 531759090 /nfs/dbraw/zinc/75/90/90/531759090.db2.gz LLIOVFNLGNRSFG-VIFPVBQESA-N 1 0 398.120 2.242 20 0 GEADRO O=C(Cc1ccc(Br)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052843913 531751236 /nfs/dbraw/zinc/75/12/36/531751236.db2.gz QLRRJRQFFHNUSY-UHFFFAOYSA-N 1 0 380.330 2.232 20 0 GEADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc3c(c(Br)c2)OCO3)C[C@@H](C)O1 ZINC000055183958 531782617 /nfs/dbraw/zinc/78/26/17/531782617.db2.gz LIEIMBRAIJWDLW-VXGBXAGGSA-N 1 0 399.285 2.407 20 0 GEADRO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000054210952 531776377 /nfs/dbraw/zinc/77/63/77/531776377.db2.gz SKDQQGSAUVMRQU-STQMWFEESA-N 1 0 397.317 2.409 20 0 GEADRO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158383328 531778162 /nfs/dbraw/zinc/77/81/62/531778162.db2.gz APMMSGTYMVPGIZ-ACJLOTCBSA-N 1 0 392.297 2.014 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000055585004 531796256 /nfs/dbraw/zinc/79/62/56/531796256.db2.gz PLYBEIWVNHIHNC-UHFFFAOYSA-N 1 0 382.917 2.109 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000162185187 531837240 /nfs/dbraw/zinc/83/72/40/531837240.db2.gz MWFJRVAMYQMVQM-LBPRGKRZSA-N 1 0 382.507 2.451 20 0 GEADRO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000058923429 531838319 /nfs/dbraw/zinc/83/83/19/531838319.db2.gz KSENGXAWRCHPSP-YOEHRIQHSA-N 1 0 396.329 2.474 20 0 GEADRO CC[N@H+](CCNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)C1CC1 ZINC000162757027 531849864 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[NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000124590295 532124992 /nfs/dbraw/zinc/12/49/92/532124992.db2.gz VPAULCZGLPWMBD-ZWNOBZJWSA-N 1 0 394.278 2.087 20 0 GEADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)ccc1Br ZINC000176094616 532125590 /nfs/dbraw/zinc/12/55/90/532125590.db2.gz RNXANHUNCXYDRC-QWHCGFSZSA-N 1 0 396.285 2.091 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000124636650 532126473 /nfs/dbraw/zinc/12/64/73/532126473.db2.gz JGCFOWKRFSYYJS-UHFFFAOYSA-N 1 0 376.284 2.325 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000125011006 532131543 /nfs/dbraw/zinc/13/15/43/532131543.db2.gz ORRYLXGVFOXTMN-LLVKDONJSA-N 1 0 393.303 2.032 20 0 GEADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000125010773 532131608 /nfs/dbraw/zinc/13/16/08/532131608.db2.gz ORRYLXGVFOXTMN-NSHDSACASA-N 1 0 393.303 2.032 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000176340199 532134485 /nfs/dbraw/zinc/13/44/85/532134485.db2.gz IXTDRJGTYDHPNG-UHFFFAOYSA-N 1 0 387.311 2.074 20 0 GEADRO C[C@H]1C[NH2+]CCN1C(=O)CCCOc1ccc(I)cc1 ZINC000125469407 532136061 /nfs/dbraw/zinc/13/60/61/532136061.db2.gz DZXXDSVXQQJUMF-LBPRGKRZSA-N 1 0 388.249 2.271 20 0 GEADRO O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1ccc(Br)cc1 ZINC000125446948 532136398 /nfs/dbraw/zinc/13/63/98/532136398.db2.gz MHLJAWCHHNAPBO-DOMZBBRYSA-N 1 0 380.286 2.378 20 0 GEADRO Cc1nc(C)c(S(=O)(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000176882604 532152866 /nfs/dbraw/zinc/15/28/66/532152866.db2.gz PWVHRUORTNSFJG-CHWSQXEVSA-N 1 0 387.571 2.270 20 0 GEADRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cnc1Cl ZINC000127429055 532153904 /nfs/dbraw/zinc/15/39/04/532153904.db2.gz INLLWZNJBGRCQL-HOTGVXAUSA-N 1 0 387.933 2.090 20 0 GEADRO C[C@](O)(C[NH2+]Cc1ccc(Cl)cc1Br)CN1CCOCC1 ZINC000127527975 532154435 /nfs/dbraw/zinc/15/44/35/532154435.db2.gz YPDGGUUZNFVHAU-HNNXBMFYSA-N 1 0 377.710 2.275 20 0 GEADRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1 ZINC000176907433 532154561 /nfs/dbraw/zinc/15/45/61/532154561.db2.gz OLNNOKZVNWWPTK-UHFFFAOYSA-N 1 0 382.873 2.420 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000125949400 532143684 /nfs/dbraw/zinc/14/36/84/532143684.db2.gz XWWPTYOLCMUMQY-HNNXBMFYSA-N 1 0 382.302 2.025 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000126281558 532147712 /nfs/dbraw/zinc/14/77/12/532147712.db2.gz GSTHMEYKOYCPHE-GFCCVEGCSA-N 1 0 386.290 2.378 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC000128515328 532165260 /nfs/dbraw/zinc/16/52/60/532165260.db2.gz IAICPOHUPACXLJ-UHFFFAOYSA-N 1 0 382.302 2.496 20 0 GEADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000127903838 532158551 /nfs/dbraw/zinc/15/85/51/532158551.db2.gz FJELOJGBFOWBGO-UHFFFAOYSA-N 1 0 378.217 2.170 20 0 GEADRO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Br)o1 ZINC000177008390 532158748 /nfs/dbraw/zinc/15/87/48/532158748.db2.gz SRZKVSVDJCKAIQ-UHFFFAOYSA-N 1 0 386.168 2.252 20 0 GEADRO CC(=O)Nc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127921961 532159156 /nfs/dbraw/zinc/15/91/56/532159156.db2.gz UFKUONXYAZBTQN-UHFFFAOYSA-N 1 0 387.914 2.428 20 0 GEADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000177705992 532179333 /nfs/dbraw/zinc/17/93/33/532179333.db2.gz SZJZCWLJIYSYSF-UHFFFAOYSA-N 1 0 384.293 2.328 20 0 GEADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000129468778 532180040 /nfs/dbraw/zinc/18/00/40/532180040.db2.gz VIHJSAODEXVQNO-VFSICIBPSA-N 1 0 379.913 2.254 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000177774150 532182405 /nfs/dbraw/zinc/18/24/05/532182405.db2.gz KHEAAUKJHDLIFI-ZDUSSCGKSA-N 1 0 375.274 2.464 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129166606 532174449 /nfs/dbraw/zinc/17/44/49/532174449.db2.gz BGDHDWMDQTUNEB-WCQYABFASA-N 1 0 387.265 2.350 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000130442431 532192195 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C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131639165 532200853 /nfs/dbraw/zinc/20/08/53/532200853.db2.gz BCHMRESXRXRAQA-AWEZNQCLSA-N 1 0 389.924 2.270 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000178956290 532219033 /nfs/dbraw/zinc/21/90/33/532219033.db2.gz WQNGZYQXZOTWLY-BBRMVZONSA-N 1 0 382.302 2.132 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000178747959 532212141 /nfs/dbraw/zinc/21/21/41/532212141.db2.gz PPBWYKZIUNVJPZ-MRXNPFEDSA-N 1 0 394.313 2.170 20 0 GEADRO Cc1sc2nc(CS[C@H](C)C(=O)NC[C@H]3CCC[NH2+]3)[nH]c(=O)c2c1C ZINC000178749506 532212249 /nfs/dbraw/zinc/21/22/49/532212249.db2.gz ADLHUERNNHCBLO-VXGBXAGGSA-N 1 0 380.539 2.091 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 ZINC000178806298 532212980 /nfs/dbraw/zinc/21/29/80/532212980.db2.gz MCMXXOPXSZTADV-JTQLQIEISA-N 1 0 389.315 2.052 20 0 GEADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000132269461 532213225 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CCCN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1CC[NH2+]C1 ZINC000178925086 532218069 /nfs/dbraw/zinc/21/80/69/532218069.db2.gz CFLFHNOJFXHTFF-KGLIPLIRSA-N 1 0 394.313 2.403 20 0 GEADRO COC[C@@](C)(CCO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000132575288 532218102 /nfs/dbraw/zinc/21/81/02/532218102.db2.gz LZLLSIHZDYYKRV-SWLSCSKDSA-N 1 0 396.709 2.219 20 0 GEADRO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178955203 532218566 /nfs/dbraw/zinc/21/85/66/532218566.db2.gz WMEHWCUBSDTBGL-UHFFFAOYSA-N 1 0 392.352 2.299 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NCC[C@H]3CC[NH2+]C3)CC2=O)ccc1Br ZINC000178950732 532218788 /nfs/dbraw/zinc/21/87/88/532218788.db2.gz YBXOCTPFSWUYOU-ZIAGYGMSSA-N 1 0 394.313 2.226 20 0 GEADRO COc1ccc(Br)c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000131617360 532201290 /nfs/dbraw/zinc/20/12/90/532201290.db2.gz YWFMZPBPEZRERC-ZDUSSCGKSA-N 1 0 385.302 2.424 20 0 GEADRO CN1CCN(C(=O)CCNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000178482895 532203210 /nfs/dbraw/zinc/20/32/10/532203210.db2.gz 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ZINC000179560225 532235535 /nfs/dbraw/zinc/23/55/35/532235535.db2.gz GZCLXYOTVSOXIE-CYBMUJFWSA-N 1 0 376.507 2.467 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178984917 532219371 /nfs/dbraw/zinc/21/93/71/532219371.db2.gz BIUBMLSMRPBFKC-CQSZACIVSA-N 1 0 386.901 2.376 20 0 GEADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178984214 532219449 /nfs/dbraw/zinc/21/94/49/532219449.db2.gz RBGMOBUJAQJTEP-UHFFFAOYSA-N 1 0 386.901 2.279 20 0 GEADRO O=C(NCCC[NH+]1CCCCC1)c1cc(Cn2cc(Br)cn2)on1 ZINC000178980628 532219837 /nfs/dbraw/zinc/21/98/37/532219837.db2.gz YUHALXRNXJFQMD-UHFFFAOYSA-N 1 0 396.289 2.288 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)C1 ZINC000179021296 532220642 /nfs/dbraw/zinc/22/06/42/532220642.db2.gz USTLLVFCOROVGG-CJNGLKHVSA-N 1 0 383.945 2.259 20 0 GEADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000132893405 532222665 /nfs/dbraw/zinc/22/26/65/532222665.db2.gz SFCWRKQXMLTKTC-LLVKDONJSA-N 1 0 384.278 2.142 20 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/nfs/dbraw/zinc/24/58/76/532245876.db2.gz YHMGLTMQHYIQRW-LLVKDONJSA-N 1 0 386.265 2.327 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)n1 ZINC000179891897 532248894 /nfs/dbraw/zinc/24/88/94/532248894.db2.gz MBVKULNRJBFYCX-JSGCOSHPSA-N 1 0 395.301 2.034 20 0 GEADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1[nH]nc2ccc(Br)cc21 ZINC000179608622 532238150 /nfs/dbraw/zinc/23/81/50/532238150.db2.gz LJCSTWOKCDXISR-ZDUSSCGKSA-N 1 0 395.301 2.292 20 0 GEADRO CN(C)c1nc2sc(C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2s1 ZINC000179603094 532238475 /nfs/dbraw/zinc/23/84/75/532238475.db2.gz VLXLOIOKEWVKAY-LBPRGKRZSA-N 1 0 382.555 2.391 20 0 GEADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cccc(Br)n3)C2)CC1 ZINC000179637773 532239283 /nfs/dbraw/zinc/23/92/83/532239283.db2.gz NQMSVAMXMJXXNL-CQSZACIVSA-N 1 0 381.318 2.086 20 0 GEADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)Nc1nncs1 ZINC000180394981 532270888 /nfs/dbraw/zinc/27/08/88/532270888.db2.gz LJEUQTFZAFPXCU-UHFFFAOYSA-N 1 0 386.275 2.081 20 0 GEADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000134343208 532255246 /nfs/dbraw/zinc/25/52/46/532255246.db2.gz TYGQMOSBGABAEA-UHFFFAOYSA-N 1 0 385.555 2.083 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)COc3ccccc3Br)C2)CC1 ZINC000134645718 532260410 /nfs/dbraw/zinc/26/04/10/532260410.db2.gz XBLDVRWANBIGOA-HNNXBMFYSA-N 1 0 396.329 2.066 20 0 GEADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000180198619 532260978 /nfs/dbraw/zinc/26/09/78/532260978.db2.gz YUJSMHSHJDCDSJ-JKSUJKDBSA-N 1 0 375.296 2.380 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(I)cc1 ZINC000180211604 532261615 /nfs/dbraw/zinc/26/16/15/532261615.db2.gz ALPDIWNUDIWODP-JTQLQIEISA-N 1 0 384.221 2.095 20 0 GEADRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(I)cc1 ZINC000180211620 532261683 /nfs/dbraw/zinc/26/16/83/532261683.db2.gz ALPDIWNUDIWODP-SNVBAGLBSA-N 1 0 384.221 2.095 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000180217572 532261775 /nfs/dbraw/zinc/26/17/75/532261775.db2.gz LLKWPCVYGBEHBJ-UHFFFAOYSA-N 1 0 379.507 2.193 20 0 GEADRO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)C(C)(C)CO ZINC000134843138 532263568 /nfs/dbraw/zinc/26/35/68/532263568.db2.gz ALQYNYHRLHOENE-UHFFFAOYSA-N 1 0 376.238 2.241 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc(Cl)cc2F)ccn1 ZINC000135089215 532266543 /nfs/dbraw/zinc/26/65/43/532266543.db2.gz FRXGMMXJOJUCIF-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2cc(F)ccc2Cl)ccn1 ZINC000135081897 532266989 /nfs/dbraw/zinc/26/69/89/532266989.db2.gz LGGWSXJRFPSFMN-UHFFFAOYSA-N 1 0 387.864 2.293 20 0 GEADRO COc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)sc1Br ZINC000135182968 532268521 /nfs/dbraw/zinc/26/85/21/532268521.db2.gz IKNUTDGNAUYBCR-UHFFFAOYSA-N 1 0 377.304 2.096 20 0 GEADRO CN1CCC([NH+]2CCC(NC(=O)c3cccnc3Br)CC2)CC1 ZINC000135196922 532268827 /nfs/dbraw/zinc/26/88/27/532268827.db2.gz XPCICALQJIXBOF-UHFFFAOYSA-N 1 0 381.318 2.133 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cccnc2Br)CC1 ZINC000135222972 532269195 /nfs/dbraw/zinc/26/91/95/532269195.db2.gz UYPFOEBPEQKJNX-HUUCEWRRSA-N 1 0 395.345 2.475 20 0 GEADRO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(Br)cc1 ZINC000180602695 532275329 /nfs/dbraw/zinc/27/53/29/532275329.db2.gz BLEYQFROZCTRQN-HNNXBMFYSA-N 1 0 384.318 2.431 20 0 GEADRO COc1cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc(Cl)c1OC ZINC000180627742 532276784 /nfs/dbraw/zinc/27/67/84/532276784.db2.gz DZPMTTCJLANFLC-UHFFFAOYSA-N 1 0 376.906 2.213 20 0 GEADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3cccnc3Br)C2)CC1 ZINC000180624571 532276978 /nfs/dbraw/zinc/27/69/78/532276978.db2.gz MWBIEKMFBQZREG-AWEZNQCLSA-N 1 0 396.333 2.478 20 0 GEADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cnc2ccsc2c1 ZINC000180745259 532279204 /nfs/dbraw/zinc/27/92/04/532279204.db2.gz XRSKSHFATQJJCR-UKRRQHHQSA-N 1 0 383.539 2.435 20 0 GEADRO CCc1nc2c(s1)[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)CCC2 ZINC000180750504 532279729 /nfs/dbraw/zinc/27/97/29/532279729.db2.gz IPDMOJLATHEBCG-KBPBESRZSA-N 1 0 387.571 2.161 20 0 GEADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000180765641 532280839 /nfs/dbraw/zinc/28/08/39/532280839.db2.gz IXLVLUSSUXVINC-MWLCHTKSSA-N 1 0 378.782 2.205 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)CC)cc1 ZINC000180821359 532282305 /nfs/dbraw/zinc/28/23/05/532282305.db2.gz BDTSXKHNEWVQGQ-LSDHHAIUSA-N 1 0 390.571 2.191 20 0 GEADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1Br ZINC000181034637 532289370 /nfs/dbraw/zinc/28/93/70/532289370.db2.gz VVXSMFKIMZPZIM-HUUCEWRRSA-N 1 0 396.329 2.033 20 0 GEADRO CCOC(=O)C1(NC(=O)c2sccc2Br)CC[NH+](C)CC1 ZINC000135447792 532273590 /nfs/dbraw/zinc/27/35/90/532273590.db2.gz UAWILRUAFWRNRK-UHFFFAOYSA-N 1 0 375.288 2.268 20 0 GEADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000181034501 532289451 /nfs/dbraw/zinc/28/94/51/532289451.db2.gz CZNNXXSPBRMSGU-YOEHRIQHSA-N 1 0 396.329 2.033 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000139037101 532291952 /nfs/dbraw/zinc/29/19/52/532291952.db2.gz RQMRMPPPFSBXJR-DGCLKSJQSA-N 1 0 383.265 2.107 20 0 GEADRO CN(C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1)S(C)(=O)=O ZINC000143428944 532295833 /nfs/dbraw/zinc/29/58/33/532295833.db2.gz GGJQITNPGWAFIH-UHFFFAOYSA-N 1 0 384.527 2.087 20 0 GEADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150754733 532301224 /nfs/dbraw/zinc/30/12/24/532301224.db2.gz BTGHTMYLZFYXBL-CQSZACIVSA-N 1 0 385.555 2.089 20 0 GEADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)n2)cc1 ZINC000150773642 532301280 /nfs/dbraw/zinc/30/12/80/532301280.db2.gz ZNKNQIVFEPYJSO-RYUDHWBXSA-N 1 0 380.495 2.248 20 0 GEADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000181759465 532305744 /nfs/dbraw/zinc/30/57/44/532305744.db2.gz XGUJDPYLLLISHO-CQSZACIVSA-N 1 0 386.945 2.491 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151166607 532307605 /nfs/dbraw/zinc/30/76/05/532307605.db2.gz XTTNAIASNPQAJL-NSHDSACASA-N 1 0 399.866 2.273 20 0 GEADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000181953965 532307774 /nfs/dbraw/zinc/30/77/74/532307774.db2.gz RBZXKBPRKTXEIJ-KFWWJZLASA-N 1 0 378.485 2.188 20 0 GEADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000151155045 532307807 /nfs/dbraw/zinc/30/78/07/532307807.db2.gz FGDYZHOICKGOCB-MRXNPFEDSA-N 1 0 375.270 2.193 20 0 GEADRO CN(C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000151151849 532307878 /nfs/dbraw/zinc/30/78/78/532307878.db2.gz AWSIBZVQKUNSLZ-HOTGVXAUSA-N 1 0 381.929 2.408 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183383560 532324526 /nfs/dbraw/zinc/32/45/26/532324526.db2.gz PKTWDMZZTHVLLF-SNVBAGLBSA-N 1 0 384.274 2.240 20 0 GEADRO NC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000182103858 532309121 /nfs/dbraw/zinc/30/91/21/532309121.db2.gz GKZFFOLECSBLII-ZDUSSCGKSA-N 1 0 383.290 2.197 20 0 GEADRO COc1cc(Br)ccc1CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000182205825 532309857 /nfs/dbraw/zinc/30/98/57/532309857.db2.gz XAATZKKYUQGVQN-MRXNPFEDSA-N 1 0 396.329 2.196 20 0 GEADRO C[C@H](CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)[NH+]1CCCCC1 ZINC000182238480 532310449 /nfs/dbraw/zinc/31/04/49/532310449.db2.gz OLEDSXCLEXJBGI-GFCCVEGCSA-N 1 0 393.962 2.061 20 0 GEADRO COc1cc(Br)ccc1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000182210681 532310454 /nfs/dbraw/zinc/31/04/54/532310454.db2.gz JNPHLAJLHMCRTD-UHFFFAOYSA-N 1 0 391.331 2.314 20 0 GEADRO C[C@](O)(C[NH2+]Cc1ccc(Cl)c(Br)c1)CN1CCOCC1 ZINC000182225433 532310578 /nfs/dbraw/zinc/31/05/78/532310578.db2.gz QAKXSJUNMCOMMX-HNNXBMFYSA-N 1 0 377.710 2.275 20 0 GEADRO C[C@@](O)(C[NH2+]Cc1ccc(Cl)c(Br)c1)CN1CCOCC1 ZINC000182225412 532310768 /nfs/dbraw/zinc/31/07/68/532310768.db2.gz QAKXSJUNMCOMMX-OAHLLOKOSA-N 1 0 377.710 2.275 20 0 GEADRO C[C@H](CNC(=O)CCc1cc(F)ccc1Br)N1CC[NH+](C)CC1 ZINC000182321525 532311836 /nfs/dbraw/zinc/31/18/36/532311836.db2.gz QQZHFQNHONKSSO-CYBMUJFWSA-N 1 0 386.309 2.273 20 0 GEADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1sccc1Br ZINC000182525895 532314374 /nfs/dbraw/zinc/31/43/74/532314374.db2.gz PQSPNYPVQHKYAK-UHFFFAOYSA-N 1 0 389.363 2.290 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2cc(F)ccc2Br)CC1 ZINC000182582411 532315048 /nfs/dbraw/zinc/31/50/48/532315048.db2.gz KINQXPSRNISASY-HNNXBMFYSA-N 1 0 387.293 2.436 20 0 GEADRO O=S(=O)(NC1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1)c1cccs1 ZINC000182665253 532316669 /nfs/dbraw/zinc/31/66/69/532316669.db2.gz TYQXMAJOSMROIJ-SJLPKXTDSA-N 1 0 378.519 2.149 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cnc1Br ZINC000182767167 532317623 /nfs/dbraw/zinc/31/76/23/532317623.db2.gz HMXZORSEQIQQPM-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cccc(Br)n1 ZINC000182821860 532318288 /nfs/dbraw/zinc/31/82/88/532318288.db2.gz YJVVWCVBDKEZNL-HUUCEWRRSA-N 1 0 390.281 2.209 20 0 GEADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000183113470 532321654 /nfs/dbraw/zinc/32/16/54/532321654.db2.gz NUHHGFJWSMRLHA-VXGBXAGGSA-N 1 0 397.850 2.499 20 0 GEADRO C[C@H]([NH3+])CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000183140085 532321713 /nfs/dbraw/zinc/32/17/13/532321713.db2.gz KGZCGCLNJOHCLT-ZETCQYMHSA-N 1 0 391.209 2.363 20 0 GEADRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000183366116 532324063 /nfs/dbraw/zinc/32/40/63/532324063.db2.gz OAHQRULWBCMZPN-UHFFFAOYSA-N 1 0 390.285 2.268 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000185111930 532336843 /nfs/dbraw/zinc/33/68/43/532336843.db2.gz QGGFAAZUGQEOOS-FRRDWIJNSA-N 1 0 382.452 2.090 20 0 GEADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Br)cc3N)CC2)CCO1 ZINC000185253392 532337355 /nfs/dbraw/zinc/33/73/55/532337355.db2.gz QFMIVMOBSFBELV-GFCCVEGCSA-N 1 0 382.302 2.357 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)CCC[NH+](C)C ZINC000185232638 532337421 /nfs/dbraw/zinc/33/74/21/532337421.db2.gz JGNRYYGGSVQNAL-UHFFFAOYSA-N 1 0 385.306 2.289 20 0 GEADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000185327518 532337664 /nfs/dbraw/zinc/33/76/64/532337664.db2.gz YJEFBPHOTUNUIT-LBPRGKRZSA-N 1 0 380.341 2.298 20 0 GEADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000185327598 532337693 /nfs/dbraw/zinc/33/76/93/532337693.db2.gz UENSAOVKBQUONP-CYBMUJFWSA-N 1 0 379.448 2.010 20 0 GEADRO Cc1nc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000185654715 532338372 /nfs/dbraw/zinc/33/83/72/532338372.db2.gz LQWPAQCCMXHAPW-GFCCVEGCSA-N 1 0 384.322 2.300 20 0 GEADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000185961641 532339265 /nfs/dbraw/zinc/33/92/65/532339265.db2.gz CJDMTYADXCPDIJ-KRWDZBQOSA-N 1 0 380.897 2.320 20 0 GEADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NCC1=CC[NH2+]CC1 ZINC000186311882 532340505 /nfs/dbraw/zinc/34/05/05/532340505.db2.gz MUNOFCVVVBJWFX-QFIPXVFZSA-N 1 0 385.327 2.373 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NCC3=CC[NH2+]CC3)CC2=O)ccc1Br ZINC000186350505 532340655 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C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1cc(F)ccc1Br ZINC000186928543 532342731 /nfs/dbraw/zinc/34/27/31/532342731.db2.gz SWMMUCLVNRDCCU-LBPRGKRZSA-N 1 0 387.293 2.434 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)c1ccc(Br)cc1Br ZINC000183915818 532329896 /nfs/dbraw/zinc/32/98/96/532329896.db2.gz XLFBEDXNDMMYQH-UHFFFAOYSA-N 1 0 394.107 2.256 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)c1cc(C)nc2ccc(Br)cc21 ZINC000183956679 532330343 /nfs/dbraw/zinc/33/03/43/532330343.db2.gz GFMZAKBVGOFYRX-UHFFFAOYSA-N 1 0 380.286 2.350 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000183982271 532330571 /nfs/dbraw/zinc/33/05/71/532330571.db2.gz KIICUNMDSNKFJP-UHFFFAOYSA-N 1 0 379.551 2.372 20 0 GEADRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1Br ZINC000184067474 532330860 /nfs/dbraw/zinc/33/08/60/532330860.db2.gz SWMDVOANSASGJI-LBPRGKRZSA-N 1 0 386.338 2.051 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)COc2cccc(Br)c2)CC1 ZINC000184173762 532331063 /nfs/dbraw/zinc/33/10/63/532331063.db2.gz 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CC[NH+](CC)CCS(=O)(=O)N[C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000558469713 532392550 /nfs/dbraw/zinc/39/25/50/532392550.db2.gz FLLFVGCIKJMJGL-HNNXBMFYSA-N 1 0 386.905 2.382 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000192204523 532393327 /nfs/dbraw/zinc/39/33/27/532393327.db2.gz GFRFPCRQFXGBHF-NSHDSACASA-N 1 0 381.723 2.474 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000558536017 532394014 /nfs/dbraw/zinc/39/40/14/532394014.db2.gz QMTRTARHHBMYHG-LBPRGKRZSA-N 1 0 391.331 2.468 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000294973930 532394226 /nfs/dbraw/zinc/39/42/26/532394226.db2.gz GAWZWAPFOUMDEM-STQMWFEESA-N 1 0 375.922 2.283 20 0 GEADRO O=C(NC[C@@H]1CCSC1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000279461903 532394863 /nfs/dbraw/zinc/39/48/63/532394863.db2.gz DHZXUJUPHHUQHN-AWEZNQCLSA-N 1 0 379.551 2.043 20 0 GEADRO CC[C@H](Cc1cccs1)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000678592007 532397953 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GEADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cccc(F)c2Br)C1=O ZINC000648466315 532398821 /nfs/dbraw/zinc/39/88/21/532398821.db2.gz LWCXQRZTZZRZSY-BDJLRTHQSA-N 1 0 384.249 2.398 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCCCS(C)(=O)=O ZINC000425830750 532399550 /nfs/dbraw/zinc/39/95/50/532399550.db2.gz CGBLCNOMUPDETN-UHFFFAOYSA-N 1 0 389.949 2.238 20 0 GEADRO C[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000678598660 532400146 /nfs/dbraw/zinc/40/01/46/532400146.db2.gz UKLYGFFUGGUSAN-LBPRGKRZSA-N 1 0 375.332 2.394 20 0 GEADRO C[C@H]([NH2+]CCN1C(=O)CCC1=O)c1cc2c(cc1Br)OCCO2 ZINC000678755879 532400596 /nfs/dbraw/zinc/40/05/96/532400596.db2.gz JGMBKUMIRIDULM-JTQLQIEISA-N 1 0 383.242 2.020 20 0 GEADRO C[N@H+](CCCC(=O)c1ccc(Br)cc1)C[C@@H](O)CN1CCOCC1 ZINC000295057362 532400728 /nfs/dbraw/zinc/40/07/28/532400728.db2.gz PBFCEHVHUFISCJ-QGZVFWFLSA-N 1 0 399.329 2.037 20 0 GEADRO COC(=O)C[C@]1([NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CCOC1 ZINC000464621452 532400783 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CC[C@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCS1 ZINC000559405334 532401670 /nfs/dbraw/zinc/40/16/70/532401670.db2.gz ITPVOOPQDJMZGZ-GJZGRUSLSA-N 1 0 381.567 2.355 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591292070 532405947 /nfs/dbraw/zinc/40/59/47/532405947.db2.gz XLIYEVHKWODARO-YGRLFVJLSA-N 1 0 382.258 2.451 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@]34CCC(=O)N3c3cc(Cl)ccc3S4)C[C@H]2C1 ZINC000192518387 532403937 /nfs/dbraw/zinc/40/39/37/532403937.db2.gz LQKWDVCNHMTXAV-IUUKEHGRSA-N 1 0 377.897 2.289 20 0 GEADRO CSc1ccc(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)cc1 ZINC000192537861 532405504 /nfs/dbraw/zinc/40/55/04/532405504.db2.gz CIKUMMQANOKLCD-UHFFFAOYSA-N 1 0 382.555 2.262 20 0 GEADRO COc1ccc(NC(=O)NCC[NH2+]C2CC2)c(I)c1 ZINC000591302066 532405676 /nfs/dbraw/zinc/40/56/76/532405676.db2.gz ZUHIGBRNFQXZHM-UHFFFAOYSA-N 1 0 375.210 2.173 20 0 GEADRO C[C@@H](CNc1ncc(Br)cc1S(N)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000679467247 532405900 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COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1Br ZINC000591295401 532406080 /nfs/dbraw/zinc/40/60/80/532406080.db2.gz YRHNWCUERGIDPQ-YGRLFVJLSA-N 1 0 382.258 2.451 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc(F)cc1I)[C@@H]1CN(C)CCO1 ZINC000591356029 532409337 /nfs/dbraw/zinc/40/93/37/532409337.db2.gz IKCCXLUTXNIIDC-YGRLFVJLSA-N 1 0 378.229 2.239 20 0 GEADRO C[C@H]1CCC[C@@](CNC(=O)c2cc3c(s2)CCS(=O)(=O)C3)([NH+](C)C)C1 ZINC000372799178 532409948 /nfs/dbraw/zinc/40/99/48/532409948.db2.gz FCKVGFYMDBLSQA-SCLBCKFNSA-N 1 0 384.567 2.459 20 0 GEADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000427021866 532410148 /nfs/dbraw/zinc/41/01/48/532410148.db2.gz LAFMQYICGBIYDJ-UHFFFAOYSA-N 1 0 390.228 2.218 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1Br ZINC000648922992 532410233 /nfs/dbraw/zinc/41/02/33/532410233.db2.gz KQMCTCRCOWVLOW-VNQPRFMTSA-N 1 0 383.330 2.365 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)C[C@@H](C)O1 ZINC000517231328 532410362 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C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)ccc1Cl ZINC000649081340 532413628 /nfs/dbraw/zinc/41/36/28/532413628.db2.gz RWXMSKXSGMXMJV-JTQLQIEISA-N 1 0 388.693 2.295 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)Cc2csc(Br)c2)C[C@@H](C)O1 ZINC000517321139 532413757 /nfs/dbraw/zinc/41/37/57/532413757.db2.gz VJWFTUWOFMHBQI-BZPMIXESSA-N 1 0 377.348 2.413 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)NCCC[NH+](C)C)nc12 ZINC000680494999 532414344 /nfs/dbraw/zinc/41/43/44/532414344.db2.gz OGBKXXBOUJPNBS-UHFFFAOYSA-N 1 0 382.306 2.199 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000192820081 532413391 /nfs/dbraw/zinc/41/33/91/532413391.db2.gz LGVPCYYISTUXFA-CYBMUJFWSA-N 1 0 388.917 2.464 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)N1CCNC(=O)[C@@H]1c1cccs1)c1ccsc1 ZINC000465534140 532418495 /nfs/dbraw/zinc/41/84/95/532418495.db2.gz OGIOLUWMIUKPIL-ZFWWWQNUSA-N 1 0 378.523 2.295 20 0 GEADRO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000427282309 532418605 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COC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1 ZINC000591674634 532418400 /nfs/dbraw/zinc/41/84/00/532418400.db2.gz KVVZJRACISRZLK-VXGBXAGGSA-N 1 0 391.212 2.024 20 0 GEADRO O=C(C[C@H]1CC[NH2+]C1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000427312605 532420834 /nfs/dbraw/zinc/42/08/34/532420834.db2.gz GXSHOLRSYMMBAI-GFCCVEGCSA-N 1 0 395.301 2.021 20 0 GEADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnc(Cl)c(Br)c1 ZINC000295217954 532421044 /nfs/dbraw/zinc/42/10/44/532421044.db2.gz QNZVOZFFPBYKFJ-VIFPVBQESA-N 1 0 394.722 2.260 20 0 GEADRO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000280966646 532419215 /nfs/dbraw/zinc/41/92/15/532419215.db2.gz HNFJWMNWUKVXAO-LZWOXQAQSA-N 1 0 384.567 2.483 20 0 GEADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)c(I)c1 ZINC000591686204 532419415 /nfs/dbraw/zinc/41/94/15/532419415.db2.gz SESLRVCRJMWNOR-IUCAKERBSA-N 1 0 382.604 2.374 20 0 GEADRO CN1CCC[C@@]2(CC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)C1=O ZINC000372905864 532419536 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CCOCCN1CCN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000517707940 532423409 /nfs/dbraw/zinc/42/34/09/532423409.db2.gz YEDBBQILOYMMEI-UHFFFAOYSA-N 1 0 381.523 2.153 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)C1 ZINC000465953559 532421253 /nfs/dbraw/zinc/42/12/53/532421253.db2.gz QEKDUBCHUDCWPU-SNVBAGLBSA-N 1 0 380.436 2.417 20 0 GEADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1 ZINC000193361616 532421946 /nfs/dbraw/zinc/42/19/46/532421946.db2.gz XPZRKFPEDNXVRN-UHFFFAOYSA-N 1 0 397.317 2.329 20 0 GEADRO CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000193379378 532424073 /nfs/dbraw/zinc/42/40/73/532424073.db2.gz HDJMZYRIUZFOND-GFCCVEGCSA-N 1 0 380.286 2.060 20 0 GEADRO O=C(NCCn1cc(Br)cn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000517724498 532424912 /nfs/dbraw/zinc/42/49/12/532424912.db2.gz ZNFNTMINCMUPEK-OAHLLOKOSA-N 1 0 392.301 2.069 20 0 GEADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC=C(Br)C2)CC1 ZINC000281592662 532425031 /nfs/dbraw/zinc/42/50/31/532425031.db2.gz FQVZIEIATRBLMP-UHFFFAOYSA-N 1 0 394.317 2.028 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000681207204 532425391 /nfs/dbraw/zinc/42/53/91/532425391.db2.gz FXCGFWNDOGQLFS-OAHLLOKOSA-N 1 0 382.302 2.168 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2nscc2Br)C1 ZINC000649796649 532425999 /nfs/dbraw/zinc/42/59/99/532425999.db2.gz XOIJVFRPNVTKIA-NSHDSACASA-N 1 0 376.320 2.479 20 0 GEADRO COCc1cnc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)s1 ZINC000466379218 532426111 /nfs/dbraw/zinc/42/61/11/532426111.db2.gz CCRLQSZULWZBJN-UHFFFAOYSA-N 1 0 389.930 2.401 20 0 GEADRO Brc1cccc2c1OCCN(c1cc(N3CCOCC3)ncn1)C2 ZINC000373025889 532426901 /nfs/dbraw/zinc/42/69/01/532426901.db2.gz QAAOSHKBTUKUHP-UHFFFAOYSA-N 1 0 391.269 2.475 20 0 GEADRO O=S(=O)(NCCC[NH2+]Cc1cccc2nccn21)c1ccccc1Cl ZINC000466382793 532426317 /nfs/dbraw/zinc/42/63/17/532426317.db2.gz ZDPTYMAOOBLOCW-UHFFFAOYSA-N 1 0 378.885 2.446 20 0 GEADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373040143 532427987 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CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000193702669 532430854 /nfs/dbraw/zinc/43/08/54/532430854.db2.gz GYUVCNRDFARTLN-UHFFFAOYSA-N 1 0 396.207 2.474 20 0 GEADRO Cc1nc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1Br ZINC000281829177 532435390 /nfs/dbraw/zinc/43/53/90/532435390.db2.gz NKHNQALNNUCAAZ-UHFFFAOYSA-N 1 0 384.322 2.300 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000295340560 532435532 /nfs/dbraw/zinc/43/55/32/532435532.db2.gz HYCBQGMKRFBDOH-AGIUHOORSA-N 1 0 385.302 2.165 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000518088146 532435589 /nfs/dbraw/zinc/43/55/89/532435589.db2.gz HDFOULMBSZHWGL-UHFFFAOYSA-N 1 0 382.302 2.496 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2Br)C1 ZINC000518088038 532435739 /nfs/dbraw/zinc/43/57/39/532435739.db2.gz DEAGETVTOOPWQG-CYBMUJFWSA-N 1 0 379.306 2.339 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1Br ZINC000373162700 532436247 /nfs/dbraw/zinc/43/62/47/532436247.db2.gz HUTZXGCEDCEUOE-YHWZYXNKSA-N 1 0 395.301 2.080 20 0 GEADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000466894222 532436559 /nfs/dbraw/zinc/43/65/59/532436559.db2.gz PEWXLZULPGJTKS-UHFFFAOYSA-N 1 0 376.469 2.476 20 0 GEADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1F ZINC000281829944 532436971 /nfs/dbraw/zinc/43/69/71/532436971.db2.gz JSSAQORNWBWMEQ-SNVBAGLBSA-N 1 0 377.279 2.351 20 0 GEADRO CN(C)c1ncccc1CNS(=O)(=O)c1sccc1Br ZINC000193873600 532432813 /nfs/dbraw/zinc/43/28/13/532432813.db2.gz QWULNRIIMOFNMQ-UHFFFAOYSA-N 1 0 376.301 2.450 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000518036666 532433350 /nfs/dbraw/zinc/43/33/50/532433350.db2.gz YEJDUZZQSLRNOO-XYPHTWIQSA-N 1 0 380.330 2.305 20 0 GEADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(CCO)Cc1cccc(Br)c1 ZINC000561223796 532433756 /nfs/dbraw/zinc/43/37/56/532433756.db2.gz FWIHYVJQYBAERN-HLLBOEOZSA-N 1 0 396.329 2.341 20 0 GEADRO COCC(=O)NC1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000682084187 532440913 /nfs/dbraw/zinc/44/09/13/532440913.db2.gz GWTPVNJQDMNRAG-UHFFFAOYSA-N 1 0 389.265 2.194 20 0 GEADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000467178360 532441016 /nfs/dbraw/zinc/44/10/16/532441016.db2.gz AHKIGWLUHOIDHX-UHFFFAOYSA-N 1 0 390.228 2.220 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000427930132 532437745 /nfs/dbraw/zinc/43/77/45/532437745.db2.gz ISKZHCCJILDGNS-SECBINFHSA-N 1 0 383.283 2.393 20 0 GEADRO O=C(C[N@@H+]1CC[C@H]2OCC[C@H]2C1)Nc1cccc(I)c1 ZINC000373278339 532440340 /nfs/dbraw/zinc/44/03/40/532440340.db2.gz NOGKTXSCQVBRKS-SMDDNHRTSA-N 1 0 386.233 2.341 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)s1 ZINC000518361576 532440330 /nfs/dbraw/zinc/44/03/30/532440330.db2.gz CEKNBCZSRZRJFD-INIZCTEOSA-N 1 0 382.551 2.472 20 0 GEADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000281866852 532440452 /nfs/dbraw/zinc/44/04/52/532440452.db2.gz CHTJQQJOQLRVBI-VIFPVBQESA-N 1 0 383.258 2.098 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000467232742 532442237 /nfs/dbraw/zinc/44/22/37/532442237.db2.gz YNNUFZWPJUJMHN-MRVPVSSYSA-N 1 0 388.212 2.019 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626837926 532442629 /nfs/dbraw/zinc/44/26/29/532442629.db2.gz MBEMMDJJXIFYMF-NSHDSACASA-N 1 0 380.286 2.071 20 0 GEADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000626847511 532443276 /nfs/dbraw/zinc/44/32/76/532443276.db2.gz VKOLXIFBJYMFFJ-CYBMUJFWSA-N 1 0 388.693 2.497 20 0 GEADRO OCC[C@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682218211 532443278 /nfs/dbraw/zinc/44/32/78/532443278.db2.gz GQJOLOITVDCOMB-DOMZBBRYSA-N 1 0 376.266 2.422 20 0 GEADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000650417817 532444377 /nfs/dbraw/zinc/44/43/77/532444377.db2.gz AWTXZGANHUACFX-OAHLLOKOSA-N 1 0 383.539 2.183 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000592277498 532445073 /nfs/dbraw/zinc/44/50/73/532445073.db2.gz ZUPNZBFOQBOBEZ-LBPRGKRZSA-N 1 0 377.666 2.341 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)cc1Br ZINC000626835212 532441844 /nfs/dbraw/zinc/44/18/44/532441844.db2.gz DGBVQVFSJLWWRD-JTQLQIEISA-N 1 0 386.315 2.368 20 0 GEADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000467409639 532447028 /nfs/dbraw/zinc/44/70/28/532447028.db2.gz ZFAZNPMIIVJRJD-OAHLLOKOSA-N 1 0 382.917 2.409 20 0 GEADRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000428229294 532447807 /nfs/dbraw/zinc/44/78/07/532447807.db2.gz ODCWQXCKKHQITE-ZDUSSCGKSA-N 1 0 392.297 2.191 20 0 GEADRO O=C(Cc1c(Cl)cccc1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270646 532448780 /nfs/dbraw/zinc/44/87/80/532448780.db2.gz KOBVROBGAJPQLK-NWDGAFQWSA-N 1 0 387.705 2.313 20 0 GEADRO C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CCn1cc(Br)cn1 ZINC000561791967 532452019 /nfs/dbraw/zinc/45/20/19/532452019.db2.gz HGXQHUXZENIKRS-UHFFFAOYSA-N 1 0 395.257 2.335 20 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CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1Cl ZINC000194776845 532455705 /nfs/dbraw/zinc/45/57/05/532455705.db2.gz AELJEOOTHRNNIL-CQSZACIVSA-N 1 0 377.869 2.233 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[C@H](C)CO ZINC000295532643 532456145 /nfs/dbraw/zinc/45/61/45/532456145.db2.gz WUNGQZITIQFIKA-STQMWFEESA-N 1 0 387.318 2.461 20 0 GEADRO CN(C(=O)c1csc(CC[NH3+])n1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000194803823 532457638 /nfs/dbraw/zinc/45/76/38/532457638.db2.gz BWUNXUWINJVVLJ-AWEZNQCLSA-N 1 0 378.885 2.175 20 0 GEADRO C[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1cccc(Cl)c1Cl ZINC000650887898 532456273 /nfs/dbraw/zinc/45/62/73/532456273.db2.gz XUVMOLQKPIXODH-GFCCVEGCSA-N 1 0 387.311 2.470 20 0 GEADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[C@H](C)CO ZINC000295532641 532456499 /nfs/dbraw/zinc/45/64/99/532456499.db2.gz WUNGQZITIQFIKA-QWHCGFSZSA-N 1 0 387.318 2.461 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(Cl)c3)C[C@H]2C1 ZINC000194920440 532462440 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C[C@H](NC(=O)c1cccnc1-n1cc(Br)cn1)C1=CC[N@H+](C)CC1 ZINC000295624550 532464953 /nfs/dbraw/zinc/46/49/53/532464953.db2.gz AQZIIHPVDFCKMD-LBPRGKRZSA-N 1 0 390.285 2.410 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000428899098 532465447 /nfs/dbraw/zinc/46/54/47/532465447.db2.gz WNANCWXMZHASFN-SECBINFHSA-N 1 0 398.248 2.367 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000428899180 532465652 /nfs/dbraw/zinc/46/56/52/532465652.db2.gz BYWFBGSSWHYASN-RYUDHWBXSA-N 1 0 382.302 2.153 20 0 GEADRO C[C@@H]1[C@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)CCC[N@@H+]1C ZINC000428967248 532466417 /nfs/dbraw/zinc/46/64/17/532466417.db2.gz MDJYCWSWOJPFDJ-CKEIUWERSA-N 1 0 398.345 2.382 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncnc2cc(Br)sc21 ZINC000651342223 532466603 /nfs/dbraw/zinc/46/66/03/532466603.db2.gz NMXANNDNAZMSIO-NSHDSACASA-N 1 0 384.347 2.892 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)CCC[N@@H+]1C ZINC000428967249 532466847 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C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683909703 532467770 /nfs/dbraw/zinc/46/77/70/532467770.db2.gz BWPWGTXACAEXAZ-SUMWQHHRSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000468545674 532468766 /nfs/dbraw/zinc/46/87/66/532468766.db2.gz ZKRMSRDRXQDGPW-MCIONIFRSA-N 1 0 387.571 2.317 20 0 GEADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651357418 532469343 /nfs/dbraw/zinc/46/93/43/532469343.db2.gz WQCQPKJRDYJMGY-HNNXBMFYSA-N 1 0 397.313 2.278 20 0 GEADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000429319400 532473707 /nfs/dbraw/zinc/47/37/07/532473707.db2.gz RQJSZLKBHJAWDX-JTQLQIEISA-N 1 0 386.237 2.271 20 0 GEADRO OC[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1ccc(Br)cc1 ZINC000684201582 532470444 /nfs/dbraw/zinc/47/04/44/532470444.db2.gz XCBCTEXYOOWNJT-LSDHHAIUSA-N 1 0 379.302 2.128 20 0 GEADRO O=C(COc1ccc(Br)cc1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429033667 532470393 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CC(C)C[C@@H](C[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429340741 532473115 /nfs/dbraw/zinc/47/31/15/532473115.db2.gz WFYAABRUJOLKCX-AWEZNQCLSA-N 1 0 385.306 2.450 20 0 GEADRO CC[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000519537953 532467570 /nfs/dbraw/zinc/46/75/70/532467570.db2.gz ATONRWZZGZXKOJ-MJBXVCDLSA-N 1 0 398.345 2.376 20 0 GEADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000628904495 532476691 /nfs/dbraw/zinc/47/66/91/532476691.db2.gz JWQVLKFFSUIMSN-UHFFFAOYSA-N 1 0 383.286 2.482 20 0 GEADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000429424202 532476969 /nfs/dbraw/zinc/47/69/69/532476969.db2.gz MIBKMYYBSUCNJU-JTQLQIEISA-N 1 0 382.299 2.071 20 0 GEADRO CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1ccc(Br)cc1 ZINC000429448064 532477261 /nfs/dbraw/zinc/47/72/61/532477261.db2.gz IPLBUABTIBCAEB-CQSZACIVSA-N 1 0 378.336 2.322 20 0 GEADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000373921441 532479030 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O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@]12CCC(=O)N1CCS2 ZINC000519937953 532483329 /nfs/dbraw/zinc/48/33/29/532483329.db2.gz FAALNFMGVFLSRM-SFHVURJKSA-N 1 0 379.551 2.142 20 0 GEADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc[nH]c(=O)c1Br ZINC000468985352 532484187 /nfs/dbraw/zinc/48/41/87/532484187.db2.gz MTGLJURWBQGTDB-UHFFFAOYSA-N 1 0 379.258 2.149 20 0 GEADRO Cc1cc(Br)cn2c(C[NH2+]CC3(OCCO)CCOCC3)cnc12 ZINC000282630109 532484250 /nfs/dbraw/zinc/48/42/50/532484250.db2.gz JPBWSYHEOURANP-UHFFFAOYSA-N 1 0 398.301 2.053 20 0 GEADRO CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CN1CCOCC1 ZINC000519908251 532484314 /nfs/dbraw/zinc/48/43/14/532484314.db2.gz OUAMGODNLAUPLS-INIZCTEOSA-N 1 0 389.309 2.492 20 0 GEADRO CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000236770027 532496925 /nfs/dbraw/zinc/49/69/25/532496925.db2.gz ORTWHBXHPHRHST-CQSZACIVSA-N 1 0 387.571 2.091 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC000236745158 532496969 /nfs/dbraw/zinc/49/69/69/532496969.db2.gz OGUFKONEJOZJTA-SNVBAGLBSA-N 1 0 395.319 2.262 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)C1 ZINC000282649901 532485171 /nfs/dbraw/zinc/48/51/71/532485171.db2.gz HYROAMCPYCHZMG-WMZOPIPTSA-N 1 0 386.945 2.303 20 0 GEADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000520113484 532485537 /nfs/dbraw/zinc/48/55/37/532485537.db2.gz KXHKYRFHMIZYTG-RYUDHWBXSA-N 1 0 378.300 2.373 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429976370 532485663 /nfs/dbraw/zinc/48/56/63/532485663.db2.gz VARGHERXESAHGB-LBPRGKRZSA-N 1 0 380.290 2.902 20 0 GEADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429948287 532485873 /nfs/dbraw/zinc/48/58/73/532485873.db2.gz PMRSLYRXVVPMLF-BXUZGUMPSA-N 1 0 378.274 2.797 20 0 GEADRO COCC[C@]1(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC[NH2+]C1 ZINC000429996302 532486240 /nfs/dbraw/zinc/48/62/40/532486240.db2.gz ZTKIOTDVPOCTRN-CXAGYDPISA-N 1 0 385.302 2.349 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1 ZINC000562840706 532486293 /nfs/dbraw/zinc/48/62/93/532486293.db2.gz DOVIWOWESNJEEY-DOTOQJQBSA-N 1 0 388.917 2.256 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000295919285 532486691 /nfs/dbraw/zinc/48/66/91/532486691.db2.gz ZZGNHRATMACIMF-ZOWXZIJZSA-N 1 0 385.302 2.213 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)C[C@H]21 ZINC000629354186 532488342 /nfs/dbraw/zinc/48/83/42/532488342.db2.gz JSLAXGWCQGPRLG-WOFXILAISA-N 1 0 379.707 2.283 20 0 GEADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000430099973 532488433 /nfs/dbraw/zinc/48/84/33/532488433.db2.gz MTJUTCMHSQXKSC-UHFFFAOYSA-N 1 0 383.945 2.460 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000374088686 532488761 /nfs/dbraw/zinc/48/87/61/532488761.db2.gz LKGIUSSQISYWTO-QKDCVEJESA-N 1 0 388.917 2.398 20 0 GEADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)CC1(OC)CCOCC1 ZINC000651708043 532488866 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O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000236664484 532493480 /nfs/dbraw/zinc/49/34/80/532493480.db2.gz FDMFWZZGCNFQPJ-BBRMVZONSA-N 1 0 394.313 2.170 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)CCCC1 ZINC000563013005 532493609 /nfs/dbraw/zinc/49/36/09/532493609.db2.gz YQENZYOZXGHJGP-OAHLLOKOSA-N 1 0 375.918 2.165 20 0 GEADRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000236727359 532493976 /nfs/dbraw/zinc/49/39/76/532493976.db2.gz OUQNHGXQGPUUHA-CQSZACIVSA-N 1 0 387.571 2.416 20 0 GEADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1Cl ZINC000236722311 532494849 /nfs/dbraw/zinc/49/48/49/532494849.db2.gz JOLATNRKMQNRBO-OAHLLOKOSA-N 1 0 379.885 2.479 20 0 GEADRO CC(=O)N[C@H](CC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000236726476 532494950 /nfs/dbraw/zinc/49/49/50/532494950.db2.gz CUBDNTVMPALBGR-XJKSGUPXSA-N 1 0 382.302 2.132 20 0 GEADRO Cc1c([C@H](C)NCC2([NH3+])CCOCC2)nnn1-c1cccc(Br)c1 ZINC000629521967 532495117 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CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000429417544 532474934 /nfs/dbraw/zinc/47/49/34/532474934.db2.gz GYTNNRGXSOWVLD-OCCSQVGLSA-N 1 0 378.332 2.013 20 0 GEADRO C[C@H]1CC[S@](=O)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000562633076 532475309 /nfs/dbraw/zinc/47/53/09/532475309.db2.gz RZMIYXWRIWNBCS-LMKMVOKYSA-N 1 0 387.615 2.291 20 0 GEADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000468823667 532475943 /nfs/dbraw/zinc/47/59/43/532475943.db2.gz DNAZJVPMVJMZHQ-VXGBXAGGSA-N 1 0 376.366 2.064 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000237003419 532502182 /nfs/dbraw/zinc/50/21/82/532502182.db2.gz BJJYTTWZHSFUCG-ZDUSSCGKSA-N 1 0 387.933 2.100 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430586305 532502201 /nfs/dbraw/zinc/50/22/01/532502201.db2.gz SNXDSKVAICJVJX-CVEARBPZSA-N 1 0 396.329 2.113 20 0 GEADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629792133 532502522 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CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237312752 532507642 /nfs/dbraw/zinc/50/76/42/532507642.db2.gz OQVHHRRJNOMTAU-CYBMUJFWSA-N 1 0 386.901 2.092 20 0 GEADRO O=C(c1cc(Br)sc1Br)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374515009 532508224 /nfs/dbraw/zinc/50/82/24/532508224.db2.gz QVJGHBPCRMBYDU-SFYZADRCSA-N 1 0 396.104 2.086 20 0 GEADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C2 ZINC000652376037 532508222 /nfs/dbraw/zinc/50/82/22/532508222.db2.gz RJWKNNRFNKFDQS-HZMBPMFUSA-N 1 0 382.379 2.474 20 0 GEADRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000282944375 532508335 /nfs/dbraw/zinc/50/83/35/532508335.db2.gz ZAFHTBIMGMLPKT-QMMMGPOBSA-N 1 0 387.670 2.467 20 0 GEADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3F)C2)C1 ZINC000652375453 532508582 /nfs/dbraw/zinc/50/85/82/532508582.db2.gz RCVQKWZBHNBZIM-OUCADQQQSA-N 1 0 376.881 2.386 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652375827 532508641 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CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2F)s1 ZINC000563806236 532510300 /nfs/dbraw/zinc/51/03/00/532510300.db2.gz YEBLPILYGSGNIT-CQSZACIVSA-N 1 0 387.498 2.348 20 0 GEADRO O=S(=O)(c1cccc(Br)c1F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563810733 532510335 /nfs/dbraw/zinc/51/03/35/532510335.db2.gz PWPQFMVLLOQNHC-CQSZACIVSA-N 1 0 377.279 2.352 20 0 GEADRO C[NH+](C)Cc1ccc(CNC(=O)NCCn2cc(Br)cn2)cc1F ZINC000564237687 532519412 /nfs/dbraw/zinc/51/94/12/532519412.db2.gz HMBGRDIAAVISQV-UHFFFAOYSA-N 1 0 398.280 2.346 20 0 GEADRO Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)nnn1-c1cccc(Br)c1 ZINC000237757846 532510680 /nfs/dbraw/zinc/51/06/80/532510680.db2.gz XQULYLSWSTUDMD-PBWFPOADSA-N 1 0 390.285 2.351 20 0 GEADRO COc1cc(C[N@@H+]2CC[C@H](COC(F)F)C2)cc(Cl)c1OCC(N)=O ZINC000521317603 532511460 /nfs/dbraw/zinc/51/14/60/532511460.db2.gz NXYYPRIVUJRTLM-JTQLQIEISA-N 1 0 378.803 2.274 20 0 GEADRO Cc1c(C(=O)N2CCC[C@@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000237748327 532512042 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Cc1nc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296312298 532513031 /nfs/dbraw/zinc/51/30/31/532513031.db2.gz WPSUHBQCBROEIV-UHFFFAOYSA-N 1 0 395.301 2.224 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1Cl ZINC000521406690 532513030 /nfs/dbraw/zinc/51/30/30/532513030.db2.gz KCVPBDVNFGCCHT-GFCCVEGCSA-N 1 0 391.299 2.125 20 0 GEADRO CO[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@@](C)(C[NH3+])C1 ZINC000630362656 532513306 /nfs/dbraw/zinc/51/33/06/532513306.db2.gz BJFANMUEVPWIIH-IINYFYTJSA-N 1 0 384.832 2.068 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)/C=C/c3ccc(I)o3)C[C@H]21 ZINC000374593325 532513527 /nfs/dbraw/zinc/51/35/27/532513527.db2.gz IZLQZUCHYBKRCK-UORMUXOASA-N 1 0 386.233 2.483 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)/C=C/c3ccc(I)o3)C[C@@H]21 ZINC000374593320 532513536 /nfs/dbraw/zinc/51/35/36/532513536.db2.gz IZLQZUCHYBKRCK-JKUMICBYSA-N 1 0 386.233 2.483 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)C[C@@H]21 ZINC000374595187 532513559 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[NH3+]CC1CCN(C(=O)c2cc(F)c(F)cc2I)CC1 ZINC000238034161 532516661 /nfs/dbraw/zinc/51/66/61/532516661.db2.gz SAQPEYHKKOEICM-UHFFFAOYSA-N 1 0 380.176 2.380 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652673464 532517024 /nfs/dbraw/zinc/51/70/24/532517024.db2.gz QKDFYBDPHAYFAJ-ZDUSSCGKSA-N 1 0 396.329 2.132 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000283071124 532517188 /nfs/dbraw/zinc/51/71/88/532517188.db2.gz XLYXEHINWCXRTD-UHFFFAOYSA-N 1 0 376.682 2.497 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652673463 532517426 /nfs/dbraw/zinc/51/74/26/532517426.db2.gz QKDFYBDPHAYFAJ-CYBMUJFWSA-N 1 0 396.329 2.132 20 0 GEADRO CN(CC(=O)N1CCC[C@H]([NH+](C)C)CC1)C(=O)c1ccc(Br)o1 ZINC000470018695 532518028 /nfs/dbraw/zinc/51/80/28/532518028.db2.gz PYPIEKVRKWGHSK-LBPRGKRZSA-N 1 0 386.290 2.057 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000521859941 532518156 /nfs/dbraw/zinc/51/81/56/532518156.db2.gz BSOPLOZYXUPBSK-CJNGLKHVSA-N 1 0 381.929 2.154 20 0 GEADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000296395548 532518293 /nfs/dbraw/zinc/51/82/93/532518293.db2.gz KGBGVHJIWSBHDH-PWSUYJOCSA-N 1 0 379.320 2.436 20 0 GEADRO COc1ccc(Br)c([C@@H](CO)[N@H+](C)C[C@@H]2CCNC(=O)CC2)c1 ZINC000296396197 532518432 /nfs/dbraw/zinc/51/84/32/532518432.db2.gz UOFSKFZSGCRKOO-BLLLJJGKSA-N 1 0 385.302 2.339 20 0 GEADRO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000520666987 532497536 /nfs/dbraw/zinc/49/75/36/532497536.db2.gz XTDFLLCHRBGDBQ-UWVGGRQHSA-N 1 0 385.313 2.343 20 0 GEADRO CCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000236812530 532498661 /nfs/dbraw/zinc/49/86/61/532498661.db2.gz HVQZRWQJEFHLIZ-ZDUSSCGKSA-N 1 0 383.290 2.149 20 0 GEADRO CCC[NH2+]CCNC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000236834546 532498693 /nfs/dbraw/zinc/49/86/93/532498693.db2.gz OAZMZMIKOKKTBP-UHFFFAOYSA-N 1 0 387.552 2.018 20 0 GEADRO CCCOc1ccc(Br)cc1CNCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654824 532498969 /nfs/dbraw/zinc/49/89/69/532498969.db2.gz GGARTUIDFSRRSJ-UHFFFAOYSA-N 1 0 381.274 2.482 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C1 ZINC000282812251 532499367 /nfs/dbraw/zinc/49/93/67/532499367.db2.gz ZZHQKOFWCNEFLW-ZDUSSCGKSA-N 1 0 387.933 2.085 20 0 GEADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000469302915 532499505 /nfs/dbraw/zinc/49/95/05/532499505.db2.gz VAFWUQVPLYUFIS-GFCCVEGCSA-N 1 0 376.906 2.126 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1=CCCOC1 ZINC000296079736 532499621 /nfs/dbraw/zinc/49/96/21/532499621.db2.gz QLSJHDOWJPBNCY-LBPRGKRZSA-N 1 0 383.286 2.399 20 0 GEADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000236877412 532500191 /nfs/dbraw/zinc/50/01/91/532500191.db2.gz SJNZRWLBPXCCOG-UHFFFAOYSA-N 1 0 381.420 2.175 20 0 GEADRO O=C(NCCOc1ccc(I)cc1)[C@H]1CCC[NH2+]CC1 ZINC000593907762 532500986 /nfs/dbraw/zinc/50/09/86/532500986.db2.gz UFJYDGFQHDVZQV-LBPRGKRZSA-N 1 0 388.249 2.176 20 0 GEADRO CCN(CCOc1ccc(Br)cc1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000236885061 532501050 /nfs/dbraw/zinc/50/10/50/532501050.db2.gz CUTHCGDCGDWMPJ-INIZCTEOSA-N 1 0 385.302 2.445 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCOc1ccc(I)cc1 ZINC000593907458 532501104 /nfs/dbraw/zinc/50/11/04/532501104.db2.gz PFKQWBWPAHZMHL-SMDDNHRTSA-N 1 0 388.249 2.304 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000593906379 532501121 /nfs/dbraw/zinc/50/11/21/532501121.db2.gz CPMIUFCKAJHSBO-AWEZNQCLSA-N 1 0 398.232 2.047 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000282849167 532501459 /nfs/dbraw/zinc/50/14/59/532501459.db2.gz LLGCNGBSONVHAO-CYBMUJFWSA-N 1 0 387.914 2.082 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469380855 532501666 /nfs/dbraw/zinc/50/16/66/532501666.db2.gz HEXWBHHQSQZDLZ-FZMZJTMJSA-N 1 0 380.286 2.428 20 0 GEADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000629802120 532502079 /nfs/dbraw/zinc/50/20/79/532502079.db2.gz LDHNVVZCLHZYJG-AWEZNQCLSA-N 1 0 386.265 2.059 20 0 GEADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000630925644 532535288 /nfs/dbraw/zinc/53/52/88/532535288.db2.gz KDZOQPFYNUPLDQ-OAHLLOKOSA-N 1 0 392.301 2.405 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000564862368 532535661 /nfs/dbraw/zinc/53/56/61/532535661.db2.gz NNRFKMISGWCFPB-GFCCVEGCSA-N 1 0 392.340 2.125 20 0 GEADRO O=C(Nc1nnc2ccc(Br)cn21)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000296721588 532536381 /nfs/dbraw/zinc/53/63/81/532536381.db2.gz FJCYFQSYOOFHAA-NWDGAFQWSA-N 1 0 379.262 2.240 20 0 GEADRO O=C(NCc1ccc(Br)cc1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000283411337 532536886 /nfs/dbraw/zinc/53/68/86/532536886.db2.gz AXICMPZHBJKUGT-OAHLLOKOSA-N 1 0 394.313 2.010 20 0 GEADRO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000470853665 532537646 /nfs/dbraw/zinc/53/76/46/532537646.db2.gz FTCXATYMLNSBOP-UHFFFAOYSA-N 1 0 382.507 2.022 20 0 GEADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000564958014 532539472 /nfs/dbraw/zinc/53/94/72/532539472.db2.gz HCJDGNKEGCHPKT-UHFFFAOYSA-N 1 0 389.905 2.247 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000246430869 532539733 /nfs/dbraw/zinc/53/97/33/532539733.db2.gz NXLBKTQFKPYSSA-ABAIWWIYSA-N 1 0 378.416 2.444 20 0 GEADRO CO[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1Br ZINC000653678520 532539890 /nfs/dbraw/zinc/53/98/90/532539890.db2.gz OAXHZOIQLCIWKJ-QGZVFWFLSA-N 1 0 397.313 2.460 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)cc3)CC[C@@H]21 ZINC000283461699 532540482 /nfs/dbraw/zinc/54/04/82/532540482.db2.gz FMLRCPRVHNFYCR-ZBFHGGJFSA-N 1 0 394.313 2.008 20 0 GEADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000595020883 532541196 /nfs/dbraw/zinc/54/11/96/532541196.db2.gz AYSJNAQNTXKHKG-ZDUSSCGKSA-N 1 0 376.544 2.326 20 0 GEADRO Cc1cc(N2C[C@H](C(=O)NCCC[NH2+]C3CC3)CC2=O)ccc1Br ZINC000565000032 532542032 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C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000595062734 532542910 /nfs/dbraw/zinc/54/29/10/532542910.db2.gz UQSBLDOJMIITQO-UOVCEFACSA-N 1 0 375.332 2.279 20 0 GEADRO C[C@H](O)CN1CCN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@H]1C ZINC000246627893 532543277 /nfs/dbraw/zinc/54/32/77/532543277.db2.gz DUKHWNZCVWCXJS-NEPJUHHUSA-N 1 0 380.286 2.458 20 0 GEADRO C[C@H]1CN(Cc2nnnn2-c2ccccc2Br)CC[N@@H+](C2CC2)C1 ZINC000296821064 532544504 /nfs/dbraw/zinc/54/45/04/532544504.db2.gz VQUMLNMUYBQNCA-ZDUSSCGKSA-N 1 0 391.317 2.341 20 0 GEADRO COc1cncc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1C ZINC000631128588 532544704 /nfs/dbraw/zinc/54/47/04/532544704.db2.gz ALFHLAHJGDMPLT-UHFFFAOYSA-N 1 0 387.864 2.259 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccncc1Br ZINC000631134951 532544733 /nfs/dbraw/zinc/54/47/33/532544733.db2.gz QNEBFAOCXJTHSJ-JSGCOSHPSA-N 1 0 376.320 2.042 20 0 GEADRO NS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000471158898 532544799 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CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000470170135 532523527 /nfs/dbraw/zinc/52/35/27/532523527.db2.gz PGKUORMGRBPUME-DOMZBBRYSA-N 1 0 382.302 2.153 20 0 GEADRO C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000630621888 532524415 /nfs/dbraw/zinc/52/44/15/532524415.db2.gz DTRFBJPREXQIHM-WMZOPIPTSA-N 1 0 380.330 2.090 20 0 GEADRO CC1(C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)[C@@H]2CCO[C@H]21 ZINC000296507841 532524477 /nfs/dbraw/zinc/52/44/77/532524477.db2.gz ZMWDRVJPIJKNRD-COLVAYQJSA-N 1 0 378.274 2.328 20 0 GEADRO COC(=O)Cn1cc(C[NH2+]CC2(c3ccc(Br)cc3)CCC2)nn1 ZINC000296508719 532524682 /nfs/dbraw/zinc/52/46/82/532524682.db2.gz RJZNOFHOZRZLAD-UHFFFAOYSA-N 1 0 393.285 2.425 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000470257206 532524975 /nfs/dbraw/zinc/52/49/75/532524975.db2.gz JQYOLPOPJUNXFF-QAPCUYQASA-N 1 0 393.329 2.261 20 0 GEADRO C[N@@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(I)o3)C[C@H]21 ZINC000375025155 532528078 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CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2sccc2OC)[C@@H](C)C1 ZINC000246074275 532530715 /nfs/dbraw/zinc/53/07/15/532530715.db2.gz YNLDJRHJKGYRGM-UONOGXRCSA-N 1 0 376.544 2.172 20 0 GEADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653080342 532530747 /nfs/dbraw/zinc/53/07/47/532530747.db2.gz CIROOBODWKHZPA-ZIAGYGMSSA-N 1 0 381.270 2.367 20 0 GEADRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2csc(Br)c2)CC1 ZINC000471182482 532545213 /nfs/dbraw/zinc/54/52/13/532545213.db2.gz LLJRZOQIPUMGRC-UHFFFAOYSA-N 1 0 376.320 2.109 20 0 GEADRO O=C(NCCCNC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000653083241 532531144 /nfs/dbraw/zinc/53/11/44/532531144.db2.gz SEPSSEBTPDRGKY-CYBMUJFWSA-N 1 0 382.302 2.075 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1Cl ZINC000653155978 532531431 /nfs/dbraw/zinc/53/14/31/532531431.db2.gz NJLVVRXSNBUBKG-QFYYESIMSA-N 1 0 375.252 2.193 20 0 GEADRO COCC1(CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000653138675 532531773 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CC(C)(C)N1C[C@@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1=O ZINC000564850545 532533943 /nfs/dbraw/zinc/53/39/43/532533943.db2.gz VQNCEWJMYGUJDU-KBPBESRZSA-N 1 0 385.302 2.178 20 0 GEADRO CCOC(=O)c1csc(C2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)n1 ZINC000564838332 532534304 /nfs/dbraw/zinc/53/43/04/532534304.db2.gz HAAJRASYHUTEOD-ZDUSSCGKSA-N 1 0 383.539 2.121 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525805491 532535070 /nfs/dbraw/zinc/53/50/70/532535070.db2.gz KZYVUZPMQJSNEN-QWRGUYRKSA-N 1 0 388.331 2.087 20 0 GEADRO Brc1cc(C[NH2+]C2CN(c3ccncn3)C2)cc2c1OCCCO2 ZINC000631258350 532550658 /nfs/dbraw/zinc/55/06/58/532550658.db2.gz QUGOHHLODVNGFG-UHFFFAOYSA-N 1 0 391.269 2.379 20 0 GEADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000565176509 532550832 /nfs/dbraw/zinc/55/08/32/532550832.db2.gz DPXDOVJCJDHIEH-UPJWGTAASA-N 1 0 387.933 2.084 20 0 GEADRO [NH3+]C[C@@H](NC(=O)NCc1cc(Cl)ccc1I)C1CC1 ZINC000595268609 532550856 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O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000283695782 532551459 /nfs/dbraw/zinc/55/14/59/532551459.db2.gz WKCAKINQGJJKTH-ARFHVFGLSA-N 1 0 382.302 2.409 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cc(Cl)ccc1I ZINC000595272851 532551885 /nfs/dbraw/zinc/55/18/85/532551885.db2.gz FYGPPBVHFORFOI-SFYZADRCSA-N 1 0 381.645 2.480 20 0 GEADRO O=C(NCCc1ccc(I)cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000595272873 532551947 /nfs/dbraw/zinc/55/19/47/532551947.db2.gz GSWSPWHMOJKKMA-ZFWWWQNUSA-N 1 0 399.276 2.227 20 0 GEADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccccc1Br ZINC000283715948 532552223 /nfs/dbraw/zinc/55/22/23/532552223.db2.gz FMMISINEPDZXFO-UHFFFAOYSA-N 1 0 382.302 2.010 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ncc(Br)cc1F ZINC000527707353 532552303 /nfs/dbraw/zinc/55/23/03/532552303.db2.gz KCNUSXZFJZETHD-GXFFZTMASA-N 1 0 394.310 2.181 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471612452 532552991 /nfs/dbraw/zinc/55/29/91/532552991.db2.gz GCAHWQNVHNNFKI-UHFFFAOYSA-N 1 0 381.420 2.147 20 0 GEADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC000565213119 532553273 /nfs/dbraw/zinc/55/32/73/532553273.db2.gz LLMUSVIHYLWUQJ-LRDDRELGSA-N 1 0 385.302 2.291 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(Br)cc1F ZINC000527707355 532553469 /nfs/dbraw/zinc/55/34/69/532553469.db2.gz KCNUSXZFJZETHD-ZWNOBZJWSA-N 1 0 394.310 2.181 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1Br ZINC000527739105 532553911 /nfs/dbraw/zinc/55/39/11/532553911.db2.gz NIGWEKHNOBGXHW-NSHDSACASA-N 1 0 377.304 2.003 20 0 GEADRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3Cl)C[C@@H]12 ZINC000248640404 532554038 /nfs/dbraw/zinc/55/40/38/532554038.db2.gz REAQFEWHPNMMCM-HLUHBDAQSA-N 1 0 379.707 2.460 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)NCCOCC[NH+](C)C)CC2 ZINC000471661941 532554790 /nfs/dbraw/zinc/55/47/90/532554790.db2.gz ADOAAFLETIJFRA-UHFFFAOYSA-N 1 0 384.318 2.403 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Br)c(F)cc3F)C[C@@H]12 ZINC000248654757 532555067 /nfs/dbraw/zinc/55/50/67/532555067.db2.gz VYNMVXLIOYGWLR-JOAULVNJSA-N 1 0 381.242 2.085 20 0 GEADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(F)c(Br)cc1F ZINC000527869244 532556850 /nfs/dbraw/zinc/55/68/50/532556850.db2.gz QBYQKYSRTYWBBB-SECBINFHSA-N 1 0 398.269 2.318 20 0 GEADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000248880232 532557803 /nfs/dbraw/zinc/55/78/03/532557803.db2.gz SBTKSNKPKBGVAB-GLQYFDAESA-N 1 0 380.286 2.059 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)[C@H](C[NH3+])C1 ZINC000565365074 532558079 /nfs/dbraw/zinc/55/80/79/532558079.db2.gz WMHJYFQABPWZOY-QWHCGFSZSA-N 1 0 393.285 2.418 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000528048034 532558425 /nfs/dbraw/zinc/55/84/25/532558425.db2.gz IEVMWCZERFUUJP-HNNXBMFYSA-N 1 0 390.933 2.374 20 0 GEADRO CCOc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000528053831 532558450 /nfs/dbraw/zinc/55/84/50/532558450.db2.gz YMOIPZWOEQUJAT-AWEZNQCLSA-N 1 0 389.315 2.411 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CN(c2ccncn2)C1 ZINC000631745656 532558731 /nfs/dbraw/zinc/55/87/31/532558731.db2.gz PNVHZRRIOKGCTK-GFCCVEGCSA-N 1 0 390.285 2.435 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000528050182 532558832 /nfs/dbraw/zinc/55/88/32/532558832.db2.gz WRMPSEXZQDVRMK-LBPRGKRZSA-N 1 0 395.294 2.215 20 0 GEADRO O=C(NCc1sccc1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297003443 532559048 /nfs/dbraw/zinc/55/90/48/532559048.db2.gz AHQODYAOWZDGKP-LLVKDONJSA-N 1 0 376.320 2.157 20 0 GEADRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000631754232 532559144 /nfs/dbraw/zinc/55/91/44/532559144.db2.gz BXJXVWQITMDYFR-NILFDRSVSA-N 1 0 378.416 2.309 20 0 GEADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000565357686 532559289 /nfs/dbraw/zinc/55/92/89/532559289.db2.gz MRFLLQLZXVWCSJ-GOEBONIOSA-N 1 0 394.313 2.170 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000631758552 532559378 /nfs/dbraw/zinc/55/93/78/532559378.db2.gz CSOKXMVQFANGII-RYUDHWBXSA-N 1 0 382.452 2.085 20 0 GEADRO O[C@@H](COCC(F)(F)F)C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000433206358 532559730 /nfs/dbraw/zinc/55/97/30/532559730.db2.gz HIKOMNMVURDGKY-GFCCVEGCSA-N 1 0 375.416 2.358 20 0 GEADRO CSC1(CNC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000565395437 532560402 /nfs/dbraw/zinc/56/04/02/532560402.db2.gz OFHZDSNMVGROHG-ZDUSSCGKSA-N 1 0 382.496 2.092 20 0 GEADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O)c1ccc(Br)cc1 ZINC000249095038 532560566 /nfs/dbraw/zinc/56/05/66/532560566.db2.gz FKUSKKYUKILOPS-NILFDRSVSA-N 1 0 382.302 2.260 20 0 GEADRO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)[C@H]1C ZINC000433255180 532561293 /nfs/dbraw/zinc/56/12/93/532561293.db2.gz FQOLPYVJIHTCMB-GLQYFDAESA-N 1 0 381.270 2.438 20 0 GEADRO CS(=O)(=O)Nc1ccccc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000654438378 532561551 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/nfs/dbraw/zinc/57/85/02/532578502.db2.gz PPQGLZJCLIAOJH-LLVKDONJSA-N 1 0 393.962 2.389 20 0 GEADRO C[C@]1(Br)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000528708421 532578606 /nfs/dbraw/zinc/57/86/06/532578606.db2.gz ZDZWKRBRCQPPMF-AEFFLSMTSA-N 1 0 381.314 2.433 20 0 GEADRO C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261951825 532579059 /nfs/dbraw/zinc/57/90/59/532579059.db2.gz KEZCGUABDDZZCC-UKRRQHHQSA-N 1 0 375.460 2.261 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000261966305 532579079 /nfs/dbraw/zinc/57/90/79/532579079.db2.gz AZPDCANGLPKKJF-LRDDRELGSA-N 1 0 388.295 2.073 20 0 GEADRO C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000297545472 532595410 /nfs/dbraw/zinc/59/54/10/532595410.db2.gz ZEOBJESBCBPGCF-MLGOLLRUSA-N 1 0 390.311 2.437 20 0 GEADRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cn2cc(Br)cn2)cc1 ZINC000261981288 532579585 /nfs/dbraw/zinc/57/95/85/532579585.db2.gz OBYNFQUDBPOQSY-INIZCTEOSA-N 1 0 377.286 2.381 20 0 GEADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000375721722 532579816 /nfs/dbraw/zinc/57/98/16/532579816.db2.gz WQWYUSLEEWBDNU-GFCCVEGCSA-N 1 0 395.301 2.258 20 0 GEADRO C[C@]1(CO)CN(Cc2ccc(I)cc2)C[C@@]1(C)CO ZINC000528754093 532579914 /nfs/dbraw/zinc/57/99/14/532579914.db2.gz VYMZJSPNTKBMDX-GASCZTMLSA-N 1 0 375.250 2.104 20 0 GEADRO C[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@@H](C)[C@H]1[NH3+] ZINC000297305922 532580213 /nfs/dbraw/zinc/58/02/13/532580213.db2.gz FNZFGVVMGHIZPN-QCQGSNGOSA-N 1 0 394.313 2.386 20 0 GEADRO O=C(N1CCc2cc(Br)ccc21)C1(n2cccn2)CC[NH2+]CC1 ZINC000261971540 532580204 /nfs/dbraw/zinc/58/02/04/532580204.db2.gz QQEMTRODSACFTN-UHFFFAOYSA-N 1 0 375.270 2.314 20 0 GEADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NCC12CC(C1)C[NH2+]2 ZINC000595946960 532580190 /nfs/dbraw/zinc/58/01/90/532580190.db2.gz FCJHBTAUUSKBOZ-AXBAYZIKSA-N 1 0 385.327 2.205 20 0 GEADRO CN(C)C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000528768662 532580382 /nfs/dbraw/zinc/58/03/82/532580382.db2.gz PJKNYKGKVQWIEY-LRDDRELGSA-N 1 0 394.368 2.467 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CCC[C@H]3C[NH2+]C)ccc2s1 ZINC000261981637 532580494 /nfs/dbraw/zinc/58/04/94/532580494.db2.gz CRJXEOOLYYSRRI-ZDUSSCGKSA-N 1 0 382.507 2.451 20 0 GEADRO C[C@]1(CO)CN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@@]1(C)CO ZINC000528755943 532580564 /nfs/dbraw/zinc/58/05/64/532580564.db2.gz XGPYFCQTINEVCO-NXHRZFHOSA-N 1 0 387.307 2.412 20 0 GEADRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(SC)cc1OC ZINC000472634948 532580725 /nfs/dbraw/zinc/58/07/25/532580725.db2.gz YQBYZAWAQVUEBB-ZIAGYGMSSA-N 1 0 388.555 2.376 20 0 GEADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000261993716 532581093 /nfs/dbraw/zinc/58/10/93/532581093.db2.gz ACPQKUMVUCTLAE-CABCVRRESA-N 1 0 386.279 2.301 20 0 GEADRO Cn1cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(-c2cccs2)n1 ZINC000375767715 532581245 /nfs/dbraw/zinc/58/12/45/532581245.db2.gz ICOHHSGVHBJDMK-HIFRSBDPSA-N 1 0 382.555 2.346 20 0 GEADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261998403 532581447 /nfs/dbraw/zinc/58/14/47/532581447.db2.gz NHWLFZBNVQDHIS-MAUKXSAKSA-N 1 0 383.945 2.389 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)C2)CC1 ZINC000632145145 532581899 /nfs/dbraw/zinc/58/18/99/532581899.db2.gz WQJMBRMQFKCKLC-ZDUSSCGKSA-N 1 0 381.523 2.354 20 0 GEADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1 ZINC000261990880 532582050 /nfs/dbraw/zinc/58/20/50/532582050.db2.gz DVVDAVHYEDIMGK-UHFFFAOYSA-N 1 0 382.404 2.288 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000656329100 532614728 /nfs/dbraw/zinc/61/47/28/532614728.db2.gz ZBMVDMXAPBXWGK-JNSHFYNHSA-N 1 0 386.323 2.499 20 0 GEADRO Cn1cc([C@@H]2CN(C(=O)c3cc(-c4ccc(Cl)s4)on3)C[C@H]2[NH3+])cn1 ZINC000566556949 532615408 /nfs/dbraw/zinc/61/54/08/532615408.db2.gz ODMJJRRCZYWGDC-WDEREUQCSA-N 1 0 377.857 2.357 20 0 GEADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000566549707 532616097 /nfs/dbraw/zinc/61/60/97/532616097.db2.gz UTZNLPIIZIRWTB-UHFFFAOYSA-N 1 0 375.416 2.237 20 0 GEADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000284800879 532622111 /nfs/dbraw/zinc/62/21/11/532622111.db2.gz PLZRVVUJISVJPJ-LBPRGKRZSA-N 1 0 383.290 2.019 20 0 GEADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000566560291 532616952 /nfs/dbraw/zinc/61/69/52/532616952.db2.gz RRCHZZCKFJKUQD-MRXNPFEDSA-N 1 0 381.929 2.291 20 0 GEADRO O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000376541514 532617458 /nfs/dbraw/zinc/61/74/58/532617458.db2.gz UKRWHTYPXABTHD-CQSZACIVSA-N 1 0 375.523 2.159 20 0 GEADRO O[C@@H](C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)COC1CCOCC1 ZINC000284769043 532619126 /nfs/dbraw/zinc/61/91/26/532619126.db2.gz MOXLJTIGNDROHI-DOTOQJQBSA-N 1 0 385.302 2.441 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccncc1I ZINC000376563233 532619295 /nfs/dbraw/zinc/61/92/95/532619295.db2.gz RYEOZCIVLYBVDF-BXUZGUMPSA-N 1 0 385.249 2.385 20 0 GEADRO Fc1ccc(I)c(F)c1C[NH2+]CCCN1CCOCC1 ZINC000474463950 532619436 /nfs/dbraw/zinc/61/94/36/532619436.db2.gz IWPQFMATTPFADA-UHFFFAOYSA-N 1 0 396.219 2.381 20 0 GEADRO CNS(=O)(=O)c1cccc2c1CCN(C[C@@H](O)c1cccc(Cl)c1)C2 ZINC000284787266 532620559 /nfs/dbraw/zinc/62/05/59/532620559.db2.gz NSAHRRDRDFXZKD-QGZVFWFLSA-N 1 0 380.897 2.340 20 0 GEADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(Br)n2)([NH+](C)C)C1 ZINC000284782051 532620711 /nfs/dbraw/zinc/62/07/11/532620711.db2.gz NZOQEZYJPLBACE-SJKOYZFVSA-N 1 0 397.317 2.409 20 0 GEADRO C[C@]([NH3+])(C(=O)NC[C@H](O)COc1ccccc1)c1ccc(Br)cc1 ZINC000566165996 532596121 /nfs/dbraw/zinc/59/61/21/532596121.db2.gz GZAGYVAORRSTLG-MAUKXSAKSA-N 1 0 393.281 2.179 20 0 GEADRO O=CN1CCC[N@@H+](CCCOc2cccc(I)c2)CC1 ZINC000297564207 532596364 /nfs/dbraw/zinc/59/63/64/532596364.db2.gz HGRFJLVFNZFKOT-UHFFFAOYSA-N 1 0 388.249 2.224 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000297587043 532597348 /nfs/dbraw/zinc/59/73/48/532597348.db2.gz ABXQQDAGOZUXQO-UHFFFAOYSA-N 1 0 398.345 2.250 20 0 GEADRO C[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000632280284 532597550 /nfs/dbraw/zinc/59/75/50/532597550.db2.gz XVHDVOZQUGJQST-CQSZACIVSA-N 1 0 385.496 2.055 20 0 GEADRO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000473715721 532598510 /nfs/dbraw/zinc/59/85/10/532598510.db2.gz ORODISVZAKTGDW-CQSZACIVSA-N 1 0 382.302 2.075 20 0 GEADRO COc1cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)ccc1Br ZINC000284539814 532599385 /nfs/dbraw/zinc/59/93/85/532599385.db2.gz HHUWXSOIFHISRA-KGLIPLIRSA-N 1 0 384.274 2.395 20 0 GEADRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(F)c(F)cc2I)[C@H]1C ZINC000262768114 532599994 /nfs/dbraw/zinc/59/99/94/532599994.db2.gz LDRKJRDBRFKDJW-YUMQZZPRSA-N 1 0 380.176 2.392 20 0 GEADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000262750968 532600111 /nfs/dbraw/zinc/60/01/11/532600111.db2.gz GKRMPFVFDCBVKV-UHFFFAOYSA-N 1 0 395.294 2.107 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262785014 532600576 /nfs/dbraw/zinc/60/05/76/532600576.db2.gz PXTPVIOBBOJVAX-RWMBFGLXSA-N 1 0 376.906 2.125 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262785011 532600773 /nfs/dbraw/zinc/60/07/73/532600773.db2.gz PXTPVIOBBOJVAX-AVGNSLFASA-N 1 0 376.906 2.125 20 0 GEADRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000434714970 532600797 /nfs/dbraw/zinc/60/07/97/532600797.db2.gz UXRCGWSLOKHOAN-ZFWWWQNUSA-N 1 0 377.312 2.386 20 0 GEADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1)C1CC1 ZINC000262792668 532600860 /nfs/dbraw/zinc/60/08/60/532600860.db2.gz SBLKSGUZOWHMMK-GJZGRUSLSA-N 1 0 388.917 2.304 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000566199733 532601103 /nfs/dbraw/zinc/60/11/03/532601103.db2.gz KUQCEWOYNCFMSJ-OAHLLOKOSA-N 1 0 382.302 2.306 20 0 GEADRO C[C@@]([NH3+])(C(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccc(Br)cc1 ZINC000566250170 532601943 /nfs/dbraw/zinc/60/19/43/532601943.db2.gz 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[NH3+]C[C@H](NC(=O)N1CCOc2ccc(Br)cc2C1)C(F)(F)F ZINC000655926310 532603577 /nfs/dbraw/zinc/60/35/77/532603577.db2.gz DLOILVBMMSZHRP-NSHDSACASA-N 1 0 382.180 2.243 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000473944168 532603607 /nfs/dbraw/zinc/60/36/07/532603607.db2.gz WKLAOAFDOHGQAM-AWEZNQCLSA-N 1 0 376.906 2.381 20 0 GEADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000262846082 532603775 /nfs/dbraw/zinc/60/37/75/532603775.db2.gz YNZNASAGVYVGOC-ZOWXZIJZSA-N 1 0 380.286 2.011 20 0 GEADRO Cc1nc([C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c2ccc(Cl)cc2)no1 ZINC000655925810 532603850 /nfs/dbraw/zinc/60/38/50/532603850.db2.gz BECPMNIIFGVHGE-MNOVXSKESA-N 1 0 377.754 2.310 20 0 GEADRO [NH3+]C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)C(F)(F)F ZINC000655915014 532603863 /nfs/dbraw/zinc/60/38/63/532603863.db2.gz QEDGJLKTRMEULF-VXGBXAGGSA-N 1 0 396.207 2.422 20 0 GEADRO Cc1nc([C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c2ccc(Cl)cc2)no1 ZINC000655925814 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/nfs/dbraw/zinc/62/47/73/532624773.db2.gz HXEWDPYHRFGUIK-LBPRGKRZSA-N 1 0 382.555 2.204 20 0 GEADRO C[C@@H](NC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000474670054 532624876 /nfs/dbraw/zinc/62/48/76/532624876.db2.gz FPJPUGZIDMLATD-RISCZKNCSA-N 1 0 399.333 2.251 20 0 GEADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CC(=O)Nc1c(Cl)cccc1Cl ZINC000436065880 532625478 /nfs/dbraw/zinc/62/54/78/532625478.db2.gz YMTZEBINYFMJNH-LBPRGKRZSA-N 1 0 387.311 2.251 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1Br ZINC000376716598 532625951 /nfs/dbraw/zinc/62/59/51/532625951.db2.gz GXYQIMANFIDSNI-SMDDNHRTSA-N 1 0 395.301 2.367 20 0 GEADRO C[NH+](C)CC1CN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000597709533 532626093 /nfs/dbraw/zinc/62/60/93/532626093.db2.gz XDRCKDPIVUUTOI-QFIPXVFZSA-N 1 0 387.343 2.357 20 0 GEADRO O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376730870 532626443 /nfs/dbraw/zinc/62/64/43/532626443.db2.gz VABKUMVRPWUWMW-AWEZNQCLSA-N 1 0 379.913 2.161 20 0 GEADRO Cc1cncn1C1CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000376741070 532627711 /nfs/dbraw/zinc/62/77/11/532627711.db2.gz CJFKCZIUTKINKF-UHFFFAOYSA-N 1 0 376.262 2.472 20 0 GEADRO NC(=O)C1(CNc2ccnc3c(Br)ccc(F)c23)CCOCC1 ZINC000376755394 532627831 /nfs/dbraw/zinc/62/78/31/532627831.db2.gz VZBKKKCPKUUKBS-UHFFFAOYSA-N 1 0 382.233 2.252 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000566846143 532628476 /nfs/dbraw/zinc/62/84/76/532628476.db2.gz QOHFVHROPQSSOF-HNNXBMFYSA-N 1 0 397.317 2.012 20 0 GEADRO CN1CC[NH+](CCC(C)(C)NC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000474801099 532628641 /nfs/dbraw/zinc/62/86/41/532628641.db2.gz PWVYWKXGOPNOHC-UHFFFAOYSA-N 1 0 396.329 2.164 20 0 GEADRO C[C@H]([NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl)C1CCS(=O)(=O)CC1 ZINC000474815150 532628810 /nfs/dbraw/zinc/62/88/10/532628810.db2.gz WIYSZHGOXUROHR-STQMWFEESA-N 1 0 377.909 2.433 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3cc(-c4cccs4)on3)CC2)C1 ZINC000376799736 532629847 /nfs/dbraw/zinc/62/98/47/532629847.db2.gz TVJFQMBLQLBNTD-AWEZNQCLSA-N 1 0 381.523 2.144 20 0 GEADRO COC[C@]1(CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)CCC[NH2+]1 ZINC000566909749 532630146 /nfs/dbraw/zinc/63/01/46/532630146.db2.gz SMDOCNPFNFPKOB-QGZVFWFLSA-N 1 0 393.285 2.133 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000376801155 532630401 /nfs/dbraw/zinc/63/04/01/532630401.db2.gz PEULVZLLYFJURQ-OAHLLOKOSA-N 1 0 386.539 2.177 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)N[C@H](C)CC[NH+](C)C)ccc1Br ZINC000531242451 532632078 /nfs/dbraw/zinc/63/20/78/532632078.db2.gz YWQNVENMXXPITK-GFCCVEGCSA-N 1 0 385.306 2.335 20 0 GEADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)[NH+]1CCCC1 ZINC000284926858 532633252 /nfs/dbraw/zinc/63/32/52/532633252.db2.gz XZFYKLVISGHHKV-SNVBAGLBSA-N 1 0 378.420 2.337 20 0 GEADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)cs1 ZINC000263667758 532633452 /nfs/dbraw/zinc/63/34/52/532633452.db2.gz HZPBYESBECIQQN-GFCCVEGCSA-N 1 0 388.331 2.183 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000566973090 532633853 /nfs/dbraw/zinc/63/38/53/532633853.db2.gz PGKQIWFPKDTQAS-VHSXEESVSA-N 1 0 385.313 2.423 20 0 GEADRO O=C([C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1)N1CCCC1 ZINC000566991207 532634225 /nfs/dbraw/zinc/63/42/25/532634225.db2.gz UCLPZNFMAPSNEA-GDBMZVCRSA-N 1 0 397.313 2.133 20 0 GEADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@H]1CCCCC[NH2+]1 ZINC000376896445 532634727 /nfs/dbraw/zinc/63/47/27/532634727.db2.gz NODPKBHIGGBLTN-CYBMUJFWSA-N 1 0 378.274 2.383 20 0 GEADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000376906496 532635420 /nfs/dbraw/zinc/63/54/20/532635420.db2.gz XZFQLVKADDLNRD-FRRDWIJNSA-N 1 0 398.472 2.458 20 0 GEADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)CC1 ZINC000632658808 532635477 /nfs/dbraw/zinc/63/54/77/532635477.db2.gz HYRKYFJVMNTOPH-CYBMUJFWSA-N 1 0 387.571 2.440 20 0 GEADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000298283001 532637891 /nfs/dbraw/zinc/63/78/91/532637891.db2.gz GXEQQRNEVZIYEZ-UHFFFAOYSA-N 1 0 386.945 2.445 20 0 GEADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)c2nccn2c1 ZINC000632669584 532638167 /nfs/dbraw/zinc/63/81/67/532638167.db2.gz RFCRSZBNTBHZEW-LBPRGKRZSA-N 1 0 395.301 2.014 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)NCCCn2cc(Br)cn2)CC1 ZINC000377048708 532638331 /nfs/dbraw/zinc/63/83/31/532638331.db2.gz ULTGJHLZTAWWOY-UHFFFAOYSA-N 1 0 384.322 2.306 20 0 GEADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)NCC[NH+](C)C ZINC000475150175 532638791 /nfs/dbraw/zinc/63/87/91/532638791.db2.gz KQVQOVVBEOXYGT-LBPRGKRZSA-N 1 0 389.281 2.473 20 0 GEADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000285000726 532638697 /nfs/dbraw/zinc/63/86/97/532638697.db2.gz CADCPAPNOIVPGN-VHSXEESVSA-N 1 0 376.404 2.043 20 0 GEADRO COC1CCN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CC1 ZINC000656886568 532640397 /nfs/dbraw/zinc/64/03/97/532640397.db2.gz MZZAGISCGYYNFQ-UHFFFAOYSA-N 1 0 389.949 2.059 20 0 GEADRO 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20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000285182234 532655867 /nfs/dbraw/zinc/65/58/67/532655867.db2.gz KWTDLWRLPKBOHL-VHSXEESVSA-N 1 0 378.420 2.289 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000633027641 532657637 /nfs/dbraw/zinc/65/76/37/532657637.db2.gz ZMVFEACFTALPOU-NXEZZACHSA-N 1 0 386.315 2.163 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000298544240 532657641 /nfs/dbraw/zinc/65/76/41/532657641.db2.gz DBQVVRMHYKCPGS-UHFFFAOYSA-N 1 0 388.331 2.022 20 0 GEADRO O=C(Nc1cc(F)c(Br)c(Cl)c1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633031365 532657794 /nfs/dbraw/zinc/65/77/94/532657794.db2.gz KSIBFZAFMWSOEB-OCAPTIKFSA-N 1 0 390.640 2.143 20 0 GEADRO O=C(Nc1cc(Br)c(F)cc1Cl)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633033517 532657814 /nfs/dbraw/zinc/65/78/14/532657814.db2.gz UQQFLQZJEKWPMY-OCAPTIKFSA-N 1 0 390.640 2.143 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000377748657 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CCS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000264943084 532684681 /nfs/dbraw/zinc/68/46/81/532684681.db2.gz SOFMCAUDDCMZCC-DZGCQCFKSA-N 1 0 385.555 2.269 20 0 GEADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378234189 532684914 /nfs/dbraw/zinc/68/49/14/532684914.db2.gz WCHCNYLSOOXRPW-SWLSCSKDSA-N 1 0 386.901 2.279 20 0 GEADRO [NH3+][C@H]1CCc2ncc(NC(=O)COc3ccc(Br)cn3)cc2C1 ZINC000638154370 532685031 /nfs/dbraw/zinc/68/50/31/532685031.db2.gz KWGALPREDBCAJZ-LBPRGKRZSA-N 1 0 377.242 2.073 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@@H](C)S1 ZINC000568691404 532685114 /nfs/dbraw/zinc/68/51/14/532685114.db2.gz ZTXPALQCVZYDCE-IOASZLSFSA-N 1 0 383.945 2.411 20 0 GEADRO COC(=O)CC1([NH2+]Cc2ccc(Br)cc2)CCS(=O)(=O)CC1 ZINC000439256762 532686436 /nfs/dbraw/zinc/68/64/36/532686436.db2.gz DXKTVWJDNSNLQO-UHFFFAOYSA-N 1 0 390.299 2.049 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000567891437 532669619 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COc1c[nH+]ccc1N1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000483212742 532674096 /nfs/dbraw/zinc/67/40/96/532674096.db2.gz KQZNPTNGLXWPRJ-UHFFFAOYSA-N 1 0 380.901 2.244 20 0 GEADRO CCOC(=O)c1sc(NC(=O)CN2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1C ZINC000534951958 532675062 /nfs/dbraw/zinc/67/50/62/532675062.db2.gz PBZDIIWBRUXDII-QWHCGFSZSA-N 1 0 385.555 2.149 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568282041 532675691 /nfs/dbraw/zinc/67/56/91/532675691.db2.gz LPHYHVHQOCAHRM-GXTWGEPZSA-N 1 0 395.301 2.348 20 0 GEADRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)Nc1ccc(Br)cc1F ZINC000483277031 532676051 /nfs/dbraw/zinc/67/60/51/532676051.db2.gz ILRGEVUHANOXPY-ABAIWWIYSA-N 1 0 389.265 2.389 20 0 GEADRO O=S1(=O)CCCN1CC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483273853 532676355 /nfs/dbraw/zinc/67/63/55/532676355.db2.gz ZJHIGURLWBBNFK-ZDUSSCGKSA-N 1 0 386.823 2.017 20 0 GEADRO CCC[NH+](CCC)CCCC(=O)NCc1ccc(S(=O)(=O)NC)s1 ZINC000264469985 532677136 /nfs/dbraw/zinc/67/71/36/532677136.db2.gz UNXPUKBLHFRIBL-UHFFFAOYSA-N 1 0 375.560 2.175 20 0 GEADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000601919986 532686736 /nfs/dbraw/zinc/68/67/36/532686736.db2.gz BZJLKQXQAKXLRW-GFCCVEGCSA-N 1 0 380.491 2.484 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2c(Br)cnn2C)CC[N@@H+](C2CCC2)C1 ZINC000637628801 532679055 /nfs/dbraw/zinc/67/90/55/532679055.db2.gz CIAHHFPKPDELJE-LBPRGKRZSA-N 1 0 384.322 2.198 20 0 GEADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000638078016 532679684 /nfs/dbraw/zinc/67/96/84/532679684.db2.gz XUPBGPAHRXGQAZ-OWQGQXMQSA-N 1 0 396.329 2.159 20 0 GEADRO [NH3+]CCc1nc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)cs1 ZINC000568512793 532680378 /nfs/dbraw/zinc/68/03/78/532680378.db2.gz LIEBNCPQICDSSI-JTQLQIEISA-N 1 0 386.246 2.409 20 0 GEADRO COC(=O)[C@H](C)CS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000378091545 532680537 /nfs/dbraw/zinc/68/05/37/532680537.db2.gz LVPJBUQOMFRYRX-INWMFGNUSA-N 1 0 388.917 2.061 20 0 GEADRO CC[NH2+][C@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000638074397 532680668 /nfs/dbraw/zinc/68/06/68/532680668.db2.gz XALYJDSTRCLKIR-LLVKDONJSA-N 1 0 383.290 2.019 20 0 GEADRO NS(=O)(=O)c1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1Cl ZINC000638079712 532680719 /nfs/dbraw/zinc/68/07/19/532680719.db2.gz HCIOCDZJEBPTJZ-KRWDZBQOSA-N 1 0 380.897 2.469 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000638770469 532686847 /nfs/dbraw/zinc/68/68/47/532686847.db2.gz BZWJEKNLQWKNBO-BLLLJJGKSA-N 1 0 394.313 2.168 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)Nc1cccc(I)c1)C2 ZINC000600741982 532680779 /nfs/dbraw/zinc/68/07/79/532680779.db2.gz HRQGLVJGKGUXEZ-IYBDPMFKSA-N 1 0 399.276 2.161 20 0 GEADRO C[NH+](C)CCCCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000264894018 532680951 /nfs/dbraw/zinc/68/09/51/532680951.db2.gz KIDIWLKEWNLGKA-HNNXBMFYSA-N 1 0 382.302 2.260 20 0 GEADRO C[C@H]1C[C@H](N(C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000638115426 532681141 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Brc1cccc(-c2c[nH]c(C[NH2+][C@H]3CCc4nnnn4CC3)n2)c1 ZINC000568617269 532683468 /nfs/dbraw/zinc/68/34/68/532683468.db2.gz FUDGGLZHPKSYJY-ZDUSSCGKSA-N 1 0 388.273 2.320 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)s1 ZINC000639206333 532691444 /nfs/dbraw/zinc/69/14/44/532691444.db2.gz SKGPCFYRIIYSCC-UHFFFAOYSA-N 1 0 384.498 2.416 20 0 GEADRO CC[N@H+](CCNC(=O)NCC(=O)Nc1cccc(Br)c1)C(C)C ZINC000487002290 532693143 /nfs/dbraw/zinc/69/31/43/532693143.db2.gz DAUMCVMBDTUPKD-UHFFFAOYSA-N 1 0 385.306 2.417 20 0 GEADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000265327945 532693431 /nfs/dbraw/zinc/69/34/31/532693431.db2.gz XNZSENIKOXASQZ-DOTOQJQBSA-N 1 0 382.346 2.380 20 0 GEADRO NC(=O)C1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCCCC1 ZINC000439457607 532693581 /nfs/dbraw/zinc/69/35/81/532693581.db2.gz CAOQKRVPFYJFIO-CYBMUJFWSA-N 1 0 389.265 2.106 20 0 GEADRO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439455567 532693803 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C[N@H+](CCOc1ccc(Br)cc1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000641938081 532703170 /nfs/dbraw/zinc/70/31/70/532703170.db2.gz IGXSUVPLGKULBY-RDJZCZTQSA-N 1 0 388.302 2.316 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)ccc1Br ZINC000378448151 532695240 /nfs/dbraw/zinc/69/52/40/532695240.db2.gz BUTWIRSFUHMDES-RISCZKNCSA-N 1 0 389.315 2.172 20 0 GEADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000536587498 532695350 /nfs/dbraw/zinc/69/53/50/532695350.db2.gz VOFJKRINWLGORF-LBPRGKRZSA-N 1 0 390.347 2.135 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000569278698 532695696 /nfs/dbraw/zinc/69/56/96/532695696.db2.gz DUVDVATXCWDBFS-UHFFFAOYSA-N 1 0 391.331 2.180 20 0 GEADRO CCCCN(CCCC)S(=O)(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000487344999 532695845 /nfs/dbraw/zinc/69/58/45/532695845.db2.gz XQZBNIDAALMBNM-KRWDZBQOSA-N 1 0 375.579 2.319 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c(Br)c1 ZINC000378452665 532696060 /nfs/dbraw/zinc/69/60/60/532696060.db2.gz MUPPGAPRTYTLQZ-NSHDSACASA-N 1 0 395.305 2.301 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000603554181 532696242 /nfs/dbraw/zinc/69/62/42/532696242.db2.gz RFAGOIGTYCYTCH-PBHICJAKSA-N 1 0 396.329 2.427 20 0 GEADRO CC[C@H]1CN(CCNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000487381362 532696425 /nfs/dbraw/zinc/69/64/25/532696425.db2.gz TYOQNZOWXSFDIQ-HNNXBMFYSA-N 1 0 380.432 2.236 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000439588286 532697530 /nfs/dbraw/zinc/69/75/30/532697530.db2.gz FOXGWBSWXPRHKH-LBPRGKRZSA-N 1 0 396.285 2.091 20 0 GEADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000569522259 532698392 /nfs/dbraw/zinc/69/83/92/532698392.db2.gz GSWFRNAGFUHUPB-ZIAGYGMSSA-N 1 0 394.313 2.355 20 0 GEADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000603723976 532698467 /nfs/dbraw/zinc/69/84/67/532698467.db2.gz RBZGFEBEUVFBGE-CQSZACIVSA-N 1 0 375.270 2.312 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000536689452 532698523 /nfs/dbraw/zinc/69/85/23/532698523.db2.gz RXVKBTKPXOSKRN-NSHDSACASA-N 1 0 391.331 2.313 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000603810799 532698893 /nfs/dbraw/zinc/69/88/93/532698893.db2.gz CRXRNWTZNNKNGN-HNNXBMFYSA-N 1 0 398.345 2.360 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000439598636 532699754 /nfs/dbraw/zinc/69/97/54/532699754.db2.gz UUURBVVVUNXJLJ-LBPRGKRZSA-N 1 0 396.285 2.091 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000285512627 532686975 /nfs/dbraw/zinc/68/69/75/532686975.db2.gz OGRFUBJMWLOMOB-UHFFFAOYSA-N 1 0 385.302 2.343 20 0 GEADRO CC(C)C(=O)N1CCC([NH2+]Cc2ncc(I)s2)CC1 ZINC000285525771 532687235 /nfs/dbraw/zinc/68/72/35/532687235.db2.gz RZKNTNHGVCEUPN-UHFFFAOYSA-N 1 0 393.294 2.484 20 0 GEADRO O=C(COc1cccc(Br)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638775714 532687541 /nfs/dbraw/zinc/68/75/41/532687541.db2.gz 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/nfs/dbraw/zinc/71/04/57/532710457.db2.gz DNODGQDKQBFRSO-NEPJUHHUSA-N 1 0 382.507 2.354 20 0 GEADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000394081740 532710601 /nfs/dbraw/zinc/71/06/01/532710601.db2.gz DWHRUJYLYAQPNV-JTQLQIEISA-N 1 0 380.208 2.101 20 0 GEADRO CCN(C(=O)C(=O)NCCSc1ccc(Cl)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000668391073 532710893 /nfs/dbraw/zinc/71/08/93/532710893.db2.gz DNVHUEXBFKNUPV-HNNXBMFYSA-N 1 0 383.945 2.491 20 0 GEADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000490469201 532711421 /nfs/dbraw/zinc/71/14/21/532711421.db2.gz HSBWFFIIERSDPU-AWEZNQCLSA-N 1 0 380.432 2.479 20 0 GEADRO CN1CCc2ccc(S(=O)(=O)N(CC[NH+](C)C)Cc3cccs3)cc21 ZINC000440380146 532711817 /nfs/dbraw/zinc/71/18/17/532711817.db2.gz FPGVXLCCDRYFRB-UHFFFAOYSA-N 1 0 379.551 2.493 20 0 GEADRO Cc1cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000573767937 532711989 /nfs/dbraw/zinc/71/19/89/532711989.db2.gz WYSAIWSVJGILIE-GOSISDBHSA-N 1 0 380.535 2.280 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000669120329 532713645 /nfs/dbraw/zinc/71/36/45/532713645.db2.gz UKAQLVJBSBJPCS-RNCFNFMXSA-N 1 0 381.274 2.443 20 0 GEADRO OCCOc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000574572235 532714377 /nfs/dbraw/zinc/71/43/77/532714377.db2.gz KLGUERHXOPFQFZ-MRXNPFEDSA-N 1 0 396.281 2.350 20 0 GEADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000670200997 532715290 /nfs/dbraw/zinc/71/52/90/532715290.db2.gz FRQZFGVGYXZPME-UHFFFAOYSA-N 1 0 391.269 2.148 20 0 GEADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)Cc2ccc(Br)c(F)c2)C[C@H](C)O1 ZINC000494291945 532715561 /nfs/dbraw/zinc/71/55/61/532715561.db2.gz AXGJILGRRYYICZ-GUTXKFCHSA-N 1 0 389.309 2.490 20 0 GEADRO CC(=O)NC1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000575052524 532716618 /nfs/dbraw/zinc/71/66/18/532716618.db2.gz AEDBOIMOYPJNQB-UYSNPLJNSA-N 1 0 385.302 2.226 20 0 GEADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)CCCC2CCOCC2)CC1 ZINC000645576017 532717928 /nfs/dbraw/zinc/71/79/28/532717928.db2.gz JJLDDVZRTLUWEX-UHFFFAOYSA-N 1 0 376.563 2.002 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000670868683 532721041 /nfs/dbraw/zinc/72/10/41/532721041.db2.gz CKQUNNQRGCXMFH-MRXNPFEDSA-N 1 0 396.329 2.097 20 0 GEADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCc1sccc1Br ZINC000285958015 532721341 /nfs/dbraw/zinc/72/13/41/532721341.db2.gz QQEFIQCBELXCQI-UHFFFAOYSA-N 1 0 388.331 2.070 20 0 GEADRO CCN(C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)CS(C)(=O)=O ZINC000497353172 532721478 /nfs/dbraw/zinc/72/14/78/532721478.db2.gz ZLFVXVZHHMNCBS-IXDOHACOSA-N 1 0 375.579 2.209 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cn4cc(Br)ccc4n3)[C@H]2C1 ZINC000497388887 532722809 /nfs/dbraw/zinc/72/28/09/532722809.db2.gz OCXHLHPJTRWXLO-DOMZBBRYSA-N 1 0 392.301 2.332 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1Cl ZINC000440855705 532723176 /nfs/dbraw/zinc/72/31/76/532723176.db2.gz GNNZXZYKPPJWAB-VHSXEESVSA-N 1 0 383.297 2.129 20 0 GEADRO C[NH+]1CCC2(CC1)CN(Cc1nnc(-c3ccc(Br)o3)o1)CCO2 ZINC000646102856 532723348 /nfs/dbraw/zinc/72/33/48/532723348.db2.gz URGWUKRFIKVSKO-UHFFFAOYSA-N 1 0 397.273 2.389 20 0 GEADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000646480741 532724055 /nfs/dbraw/zinc/72/40/55/532724055.db2.gz ZYGRITUAHGRBEY-XJKCOSOUSA-N 1 0 394.313 2.353 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000646483653 532724511 /nfs/dbraw/zinc/72/45/11/532724511.db2.gz HLIUUOAXOMWITF-SWLSCSKDSA-N 1 0 382.302 2.120 20 0 GEADRO COc1ccc(Br)c(CS(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000409538105 532724577 /nfs/dbraw/zinc/72/45/77/532724577.db2.gz UZOXJRNFACMVMI-UHFFFAOYSA-N 1 0 391.331 2.363 20 0 GEADRO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000440862850 532724642 /nfs/dbraw/zinc/72/46/42/532724642.db2.gz PELONEGXRCNTEC-QMMMGPOBSA-N 1 0 387.221 2.356 20 0 GEADRO C[C@H](CC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000440863468 532725066 /nfs/dbraw/zinc/72/50/66/532725066.db2.gz QILNWNPYBRNIMT-TZMCWYRMSA-N 1 0 376.906 2.304 20 0 GEADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000299548409 532725706 /nfs/dbraw/zinc/72/57/06/532725706.db2.gz YEBQPRPMPYYQLX-UHFFFAOYSA-N 1 0 391.331 2.313 20 0 GEADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000539216002 532727030 /nfs/dbraw/zinc/72/70/30/532727030.db2.gz BLRHVKRZZHVUNJ-MEDUHNTESA-N 1 0 399.310 2.481 20 0 GEADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441967887 532727141 /nfs/dbraw/zinc/72/71/41/532727141.db2.gz IQFYYDLMEWKSRF-VIFPVBQESA-N 1 0 388.212 2.019 20 0 GEADRO CCOC(=O)[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(OC)c(Br)c1 ZINC000539806049 532732728 /nfs/dbraw/zinc/73/27/28/532732728.db2.gz KGKSJJXHQOSGDN-SWLSCSKDSA-N 1 0 399.285 2.130 20 0 GEADRO Cc1[nH]nc(NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)c1C ZINC000576799340 532728601 /nfs/dbraw/zinc/72/86/01/532728601.db2.gz WLNDYMCJCIHRGT-UHFFFAOYSA-N 1 0 395.261 2.665 20 0 GEADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000672699761 532728740 /nfs/dbraw/zinc/72/87/40/532728740.db2.gz GEALZISRAYDUBV-MRXNPFEDSA-N 1 0 396.329 2.398 20 0 GEADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613193020 532728910 /nfs/dbraw/zinc/72/89/10/532728910.db2.gz ZQHDTOYCQAWSHQ-OJDYBEQGSA-N 1 0 382.302 2.473 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)CCSC1 ZINC000499972259 532729400 /nfs/dbraw/zinc/72/94/00/532729400.db2.gz ZVSRGSIISVZOEN-LSDHHAIUSA-N 1 0 379.423 2.096 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000539418851 532729421 /nfs/dbraw/zinc/72/94/21/532729421.db2.gz OLFKETGYRDJSER-CYBMUJFWSA-N 1 0 382.302 2.212 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000539415925 532729738 /nfs/dbraw/zinc/72/97/38/532729738.db2.gz IKWXCKUPMBTURS-INIZCTEOSA-N 1 0 396.329 2.464 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000266935721 532730095 /nfs/dbraw/zinc/73/00/95/532730095.db2.gz IRPNYWSPKDLDLU-ZIAGYGMSSA-N 1 0 396.285 2.139 20 0 GEADRO CC[N@@H+]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000299605911 532730409 /nfs/dbraw/zinc/73/04/09/532730409.db2.gz IGZYWRIWBBXGCQ-UHFFFAOYSA-N 1 0 383.286 2.317 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1Br ZINC000673821360 532730950 /nfs/dbraw/zinc/73/09/50/532730950.db2.gz IHXXNUCGSURQMM-LBPRGKRZSA-N 1 0 389.315 2.220 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)C1(CC)CC ZINC000539508925 532732038 /nfs/dbraw/zinc/73/20/38/532732038.db2.gz CXBXFFSGIUWXGQ-BRWVUGGUSA-N 1 0 376.563 2.048 20 0 GEADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cc(Br)ccc1F ZINC000299470963 532719612 /nfs/dbraw/zinc/71/96/12/532719612.db2.gz AOAZJZXDLMYYMI-UHFFFAOYSA-N 1 0 377.279 2.493 20 0 GEADRO C[NH+]1CCN(Cc2cccc(C(=O)NCCSCC(F)(F)F)c2)CC1 ZINC000538808026 532719826 /nfs/dbraw/zinc/71/98/26/532719826.db2.gz SGGDVKPARRVNIC-UHFFFAOYSA-N 1 0 375.460 2.459 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000502862791 532742292 /nfs/dbraw/zinc/74/22/92/532742292.db2.gz RKJYHKZHEMVWQY-ZDUSSCGKSA-N 1 0 397.317 2.432 20 0 GEADRO O=C(COC1CC[NH2+]CC1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000579706439 532742545 /nfs/dbraw/zinc/74/25/45/532742545.db2.gz DWLYTLZFAIJAIH-UHFFFAOYSA-N 1 0 381.782 2.017 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)cc1 ZINC000540714306 532742930 /nfs/dbraw/zinc/74/29/30/532742930.db2.gz FVIIFHKMCMSWFP-HNNXBMFYSA-N 1 0 380.897 2.177 20 0 GEADRO CCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000540723099 532743179 /nfs/dbraw/zinc/74/31/79/532743179.db2.gz GBLCTJFMNRLMQN-SOUVJXGZSA-N 1 0 384.567 2.389 20 0 GEADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000614603402 532744069 /nfs/dbraw/zinc/74/40/69/532744069.db2.gz MCNVETYJCRNYGG-OAHLLOKOSA-N 1 0 388.555 2.023 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1Cl ZINC000443301089 532744809 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COC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000577104106 532733039 /nfs/dbraw/zinc/73/30/39/532733039.db2.gz MCOIBCZBPMMJDO-HOTGVXAUSA-N 1 0 378.270 2.218 20 0 GEADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000442741500 532733685 /nfs/dbraw/zinc/73/36/85/532733685.db2.gz XEKUFTMFBGKPIZ-ZDUSSCGKSA-N 1 0 377.432 2.453 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000577088248 532733825 /nfs/dbraw/zinc/73/38/25/532733825.db2.gz TWZFSHKUTKJEGD-XJKSGUPXSA-N 1 0 396.329 2.397 20 0 GEADRO CN(C(=O)CSc1nncs1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000299660899 532734210 /nfs/dbraw/zinc/73/42/10/532734210.db2.gz HJOAWENQIWQZNS-UHFFFAOYSA-N 1 0 377.539 2.191 20 0 GEADRO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H](C)CS(=O)(=O)CC ZINC000500788229 532735800 /nfs/dbraw/zinc/73/58/00/532735800.db2.gz ZBNINAWBIRGOFP-SJORKVTESA-N 1 0 375.579 2.496 20 0 GEADRO Cc1cc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1Br ZINC000501120331 532736470 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Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000269613830 532784449 /nfs/dbraw/zinc/78/44/49/532784449.db2.gz NJSSMWHGMXPXSG-ARFHVFGLSA-N 1 0 384.567 2.127 20 0 GEADRO CC[C@@H](CSC)NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000287174801 532784471 /nfs/dbraw/zinc/78/44/71/532784471.db2.gz SKFNJUKTGQTUIK-HNNXBMFYSA-N 1 0 383.583 2.334 20 0 GEADRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000412074705 532784683 /nfs/dbraw/zinc/78/46/83/532784683.db2.gz IRWJWEMTJTXCSD-VXGBXAGGSA-N 1 0 388.249 2.323 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cn2cc(Br)cn2)on1 ZINC000269685473 532785745 /nfs/dbraw/zinc/78/57/45/532785745.db2.gz CRWLVFPRHDKOFD-ZFWWWQNUSA-N 1 0 394.273 2.039 20 0 GEADRO C[N@H+](CCCCNC(=O)c1cc(Cn2cc(Br)cn2)on1)C1CC1 ZINC000457176006 532789462 /nfs/dbraw/zinc/78/94/62/532789462.db2.gz YODXOUBXVJGSHZ-UHFFFAOYSA-N 1 0 396.289 2.286 20 0 GEADRO COc1ccc(Br)c(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)c1 ZINC000325300263 532789512 /nfs/dbraw/zinc/78/95/12/532789512.db2.gz VLGFKGYKYUOYNP-SJKOYZFVSA-N 1 0 396.285 2.397 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000287281796 532789874 /nfs/dbraw/zinc/78/98/74/532789874.db2.gz SUMNJMZSWRETIX-CJNGLKHVSA-N 1 0 394.313 2.264 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000287281799 532790050 /nfs/dbraw/zinc/79/00/50/532790050.db2.gz SUMNJMZSWRETIX-CZUORRHYSA-N 1 0 394.313 2.264 20 0 GEADRO Cc1cc(N2C[C@@H](C(=O)NC[C@H](C)[NH+](C)C)CC2=O)ccc1Br ZINC000412383580 532790221 /nfs/dbraw/zinc/79/02/21/532790221.db2.gz LTLCABZTMTWWCD-STQMWFEESA-N 1 0 382.302 2.177 20 0 GEADRO COc1nccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)n1 ZINC000459684698 532797004 /nfs/dbraw/zinc/79/70/04/532797004.db2.gz AJPVGTOGWNNRCR-GFCCVEGCSA-N 1 0 384.249 2.328 20 0 GEADRO C[C@H]1CSCCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000287295695 532790380 /nfs/dbraw/zinc/79/03/80/532790380.db2.gz ZSHBDLSXZFPUAQ-LSDHHAIUSA-N 1 0 381.567 2.040 20 0 GEADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccsc2Br)C1 ZINC000287298844 532790753 /nfs/dbraw/zinc/79/07/53/532790753.db2.gz VCAUPUWOWBVIQF-RYUDHWBXSA-N 1 0 388.331 2.116 20 0 GEADRO CCOC(=O)Cc1nnc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000269844158 532791102 /nfs/dbraw/zinc/79/11/02/532791102.db2.gz QHZPCRFSHZRTQR-JTQLQIEISA-N 1 0 383.499 2.130 20 0 GEADRO C[C@H]1CN(CCO)CCN1C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000458241981 532792860 /nfs/dbraw/zinc/79/28/60/532792860.db2.gz AUFVCFHGBHRUMN-BLLLJJGKSA-N 1 0 382.302 2.144 20 0 GEADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(C)nc2Br)CC1 ZINC000270067460 532793881 /nfs/dbraw/zinc/79/38/81/532793881.db2.gz WMZJHPIMDOSADM-UHFFFAOYSA-N 1 0 398.301 2.157 20 0 GEADRO NS(=O)(=O)c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)cc1C(F)(F)F ZINC000328692170 532795952 /nfs/dbraw/zinc/79/59/52/532795952.db2.gz JANYNYAOCSDNMF-LBPRGKRZSA-N 1 0 377.432 2.275 20 0 GEADRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000411909710 532780152 /nfs/dbraw/zinc/78/01/52/532780152.db2.gz KFTZKYWEWBVLMC-HOTGVXAUSA-N 1 0 378.270 2.488 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1Cl ZINC000269304977 532780332 /nfs/dbraw/zinc/78/03/32/532780332.db2.gz YTSWVARRNVYEBK-DOMZBBRYSA-N 1 0 387.933 2.180 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000544348591 532781646 /nfs/dbraw/zinc/78/16/46/532781646.db2.gz IVNUGKFJPHTBIE-OAHLLOKOSA-N 1 0 381.318 2.294 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000514975175 532781732 /nfs/dbraw/zinc/78/17/32/532781732.db2.gz LARDANUIDJNVPX-ZDUSSCGKSA-N 1 0 377.913 2.319 20 0 GEADRO C[N@H+](C[C@H](O)CN1CCN(Cc2ccc(Br)s2)CC1)C1CC1 ZINC000554934307 532806148 /nfs/dbraw/zinc/80/61/48/532806148.db2.gz HCODWIDGIBOCIZ-AWEZNQCLSA-N 1 0 388.375 2.083 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c(C)s1 ZINC000287682191 532806304 /nfs/dbraw/zinc/80/63/04/532806304.db2.gz MSLYHGRMHHUIQI-WCQYABFASA-N 1 0 386.461 2.343 20 0 GEADRO CC(C)[C@@H](CNC(=O)NCCC(C)(C)S(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000413113059 532806543 /nfs/dbraw/zinc/80/65/43/532806543.db2.gz WEZWYBCIVHMNSY-MRXNPFEDSA-N 1 0 375.579 2.255 20 0 GEADRO Cc1nc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)sc1S(N)(=O)=O ZINC000554936408 532806556 /nfs/dbraw/zinc/80/65/56/532806556.db2.gz QIMDTAFVHSYUBW-UHFFFAOYSA-N 1 0 380.539 2.200 20 0 GEADRO Cn1c(SCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)nnc1-c1cccs1 ZINC000329467274 532806858 /nfs/dbraw/zinc/80/68/58/532806858.db2.gz WMUOLQQGCXGVEY-QWHCGFSZSA-N 1 0 377.539 2.188 20 0 GEADRO CC[NH+](CC)CCNC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000555639095 532808332 /nfs/dbraw/zinc/80/83/32/532808332.db2.gz QDDUPDONZNNZJS-UHFFFAOYSA-N 1 0 396.329 2.055 20 0 GEADRO Cc1c([C@@H](C)[NH2+]C[C@]2(O)CCOC2)nnn1-c1cccc(Br)c1 ZINC000271540772 532808421 /nfs/dbraw/zinc/80/84/21/532808421.db2.gz SPNLJPXLQIAUNR-BDJLRTHQSA-N 1 0 381.274 2.140 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)c1cc(F)c(Cl)cc1Cl ZINC000555695674 532808664 /nfs/dbraw/zinc/80/86/64/532808664.db2.gz HNFHLTKICIQEBC-SNVBAGLBSA-N 1 0 394.274 2.004 20 0 GEADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000555725410 532809762 /nfs/dbraw/zinc/80/97/62/532809762.db2.gz DZMBNGOTTMZUBE-AWEZNQCLSA-N 1 0 383.945 2.396 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000287806291 532809768 /nfs/dbraw/zinc/80/97/68/532809768.db2.gz WTXXUJPBNNELGW-CYBMUJFWSA-N 1 0 391.269 2.146 20 0 GEADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000556355715 532810262 /nfs/dbraw/zinc/81/02/62/532810262.db2.gz VBZOLZNEKSQYPO-UONOGXRCSA-N 1 0 396.329 2.474 20 0 GEADRO Cc1cc(Br)cc(C[NH2+]C[C@@H](O)Cn2ccnn2)c1OC(F)F ZINC000459687925 532797575 /nfs/dbraw/zinc/79/75/75/532797575.db2.gz BZAQZKOVHMWFRJ-GFCCVEGCSA-N 1 0 391.216 2.101 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)Cc2cc(C(C)(C)C)on2)C[C@H]1[NH+]1CCCC1 ZINC000328849090 532798379 /nfs/dbraw/zinc/79/83/79/532798379.db2.gz BDVGAFXNZWDQMB-CABCVRRESA-N 1 0 387.571 2.314 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCc1ccccc1Br ZINC000550820898 532798398 /nfs/dbraw/zinc/79/83/98/532798398.db2.gz WUJHVJQVMFIQTD-ZIAGYGMSSA-N 1 0 396.329 2.444 20 0 GEADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000461026771 532799766 /nfs/dbraw/zinc/79/97/66/532799766.db2.gz LORWODIXLMRXAG-GFCCVEGCSA-N 1 0 395.301 2.004 20 0 GEADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000462066070 532800447 /nfs/dbraw/zinc/80/04/47/532800447.db2.gz DJSHORRXFAGQNE-NSHDSACASA-N 1 0 385.477 2.071 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)CCc3ccccc3Br)[C@@H]2C1 ZINC000462074289 532800563 /nfs/dbraw/zinc/80/05/63/532800563.db2.gz BYWYCLJNZYDUGX-GDBMZVCRSA-N 1 0 387.343 2.347 20 0 GEADRO C[C@H]1Cc2ccc(Br)cc2CN1CC1(O)CCS(=O)(=O)CC1 ZINC000329166025 532802806 /nfs/dbraw/zinc/80/28/06/532802806.db2.gz HMXHOYDBXOAHBE-LBPRGKRZSA-N 1 0 388.327 2.135 20 0 GEADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](N(C)[C@@H]2COC[C@H]2O)C1=O ZINC000329152013 532802888 /nfs/dbraw/zinc/80/28/88/532802888.db2.gz BBWNHVWQILMDOA-BZUAXINKSA-N 1 0 397.313 2.253 20 0 GEADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccccc1Br)[N@H+](C)C1CC1 ZINC000287868908 532811995 /nfs/dbraw/zinc/81/19/95/532811995.db2.gz MNWHAIKCGOGYNI-GFCCVEGCSA-N 1 0 382.302 2.006 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000330163878 532815419 /nfs/dbraw/zinc/81/54/19/532815419.db2.gz SUSACXWSACBAGZ-MEDUHNTESA-N 1 0 375.897 2.228 20 0 GEADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@]2(CCOC2)O1 ZINC000330164851 532815426 /nfs/dbraw/zinc/81/54/26/532815426.db2.gz WJZFBNLGSSKKSB-UNEWFSDZSA-N 1 0 386.286 2.069 20 0 GEADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)C1(c2ccccc2Br)CC1 ZINC000413818812 532815449 /nfs/dbraw/zinc/81/54/49/532815449.db2.gz OBKJCIIABGWTIL-AWEZNQCLSA-N 1 0 381.314 2.444 20 0 GEADRO COc1cc(Br)ccc1CCC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413805355 532814672 /nfs/dbraw/zinc/81/46/72/532814672.db2.gz DDVPXXVWBGHGSM-INIZCTEOSA-N 1 0 399.329 2.353 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(Br)n1 ZINC000288104157 532817637 /nfs/dbraw/zinc/81/76/37/532817637.db2.gz MLBWICUHHQOUIF-QWHCGFSZSA-N 1 0 395.301 2.176 20 0 GEADRO COC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)[nH]1 ZINC000272740693 532817769 /nfs/dbraw/zinc/81/77/69/532817769.db2.gz KZROLTYFMHYDQO-GFCCVEGCSA-N 1 0 383.242 2.093 20 0 GEADRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000330187614 532815733 /nfs/dbraw/zinc/81/57/33/532815733.db2.gz TXQDEUVKNLCAHZ-ZDUSSCGKSA-N 1 0 384.502 2.128 20 0 GEADRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccncc2Br)CC1 ZINC000272484542 532815824 /nfs/dbraw/zinc/81/58/24/532815824.db2.gz AADQNQUSHROCEH-GFCCVEGCSA-N 1 0 385.306 2.401 20 0 GEADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000330185182 532815867 /nfs/dbraw/zinc/81/58/67/532815867.db2.gz IZSRADBBUIHLJS-MGPQQGTHSA-N 1 0 376.473 2.174 20 0 GEADRO CNS(=O)(=O)c1csc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000272675919 532816817 /nfs/dbraw/zinc/81/68/17/532816817.db2.gz JVKLPYRQUGQDFK-STQMWFEESA-N 1 0 385.555 2.039 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000272686688 532816911 /nfs/dbraw/zinc/81/69/11/532816911.db2.gz OLVQZXKKAWNNRB-STQMWFEESA-N 1 0 386.539 2.466 20 0 GEADRO O=S(=O)(CCC1CCOCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000330312491 532817126 /nfs/dbraw/zinc/81/71/26/532817126.db2.gz WLORMVYVFIJJBC-UHFFFAOYSA-N 1 0 376.588 2.084 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000272710439 532817262 /nfs/dbraw/zinc/81/72/62/532817262.db2.gz VIJDHNMREVXILS-OLZOCXBDSA-N 1 0 386.539 2.466 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000414093427 532818696 /nfs/dbraw/zinc/81/86/96/532818696.db2.gz MCQHPYGSZNQSPB-CJNGLKHVSA-N 1 0 390.281 2.394 20 0 GEADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000414113151 532819036 /nfs/dbraw/zinc/81/90/36/532819036.db2.gz KFXPCHMPNYOOLL-CYBMUJFWSA-N 1 0 384.318 2.238 20 0 GEADRO O=C1C[C@@H](C[NH2+][C@H]2CCCOc3ccc(I)cc32)CN1 ZINC000414184374 532819571 /nfs/dbraw/zinc/81/95/71/532819571.db2.gz BVIZBLDJOKJOEL-GWCFXTLKSA-N 1 0 386.233 2.231 20 0 GEADRO Cc1c([C@H](C)[NH2+]C[C@H]2CNC(=O)C2)nnn1-c1cccc(Br)c1 ZINC000414187940 532819651 /nfs/dbraw/zinc/81/96/51/532819651.db2.gz IPHIWSOELKZAOV-JQWIXIFHSA-N 1 0 378.274 2.125 20 0 GEADRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CNC(=O)C2)nnn1-c1cccc(Br)c1 ZINC000414187944 532819822 /nfs/dbraw/zinc/81/98/22/532819822.db2.gz IPHIWSOELKZAOV-ZYHUDNBSSA-N 1 0 378.274 2.125 20 0 GEADRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414195297 532820121 /nfs/dbraw/zinc/82/01/21/532820121.db2.gz JDYIFVKOFGZSFN-MNOVXSKESA-N 1 0 379.320 2.420 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1Br ZINC000288304326 532823766 /nfs/dbraw/zinc/82/37/66/532823766.db2.gz WLRLRMXTSFOVFQ-TZMCWYRMSA-N 1 0 395.301 2.176 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)c1cnn(C)c1 ZINC000273253495 532821088 /nfs/dbraw/zinc/82/10/88/532821088.db2.gz CMFRJJAIOSNQFP-CYBMUJFWSA-N 1 0 395.301 2.371 20 0 GEADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1I)c1cnn(C)c1 ZINC000273243924 532821455 /nfs/dbraw/zinc/82/14/55/532821455.db2.gz ASEVJHMXOJNTMA-SNVBAGLBSA-N 1 0 384.221 2.314 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)s1 ZINC000414356794 532821608 /nfs/dbraw/zinc/82/16/08/532821608.db2.gz GYDSTRNJFKCCQZ-UHFFFAOYSA-N 1 0 380.417 2.162 20 0 GEADRO C[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(F)c(Br)c1 ZINC000414354315 532821663 /nfs/dbraw/zinc/82/16/63/532821663.db2.gz USWLHHLBXRSEAH-SNVBAGLBSA-N 1 0 384.253 2.410 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)cc1Br ZINC000414350928 532821745 /nfs/dbraw/zinc/82/17/45/532821745.db2.gz MGWCXIQYJDAIEU-LLVKDONJSA-N 1 0 396.289 2.279 20 0 GEADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1F ZINC000330606559 532822202 /nfs/dbraw/zinc/82/22/02/532822202.db2.gz KSHNTKPWOULSES-LEWSCRJBSA-N 1 0 391.896 2.256 20 0 GEADRO 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Cc1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Br)nn1 ZINC000414433785 532827224 /nfs/dbraw/zinc/82/72/24/532827224.db2.gz BZAQFIOYZRDDQY-UHFFFAOYSA-N 1 0 399.314 2.006 20 0 GEADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1 ZINC000330810105 532827835 /nfs/dbraw/zinc/82/78/35/532827835.db2.gz NWUBXZZRIBNNFY-UHFFFAOYSA-N 1 0 375.579 2.176 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]Cc2cc3c(cc2Br)OCO3)CCC1 ZINC000414557105 532831702 /nfs/dbraw/zinc/83/17/02/532831702.db2.gz LDBKOWCRZOLZGT-UHFFFAOYSA-N 1 0 390.299 2.482 20 0 GEADRO OC[C@H]([NH2+]Cc1ncc(Br)cc1Br)[C@H]1CCCOC1 ZINC000414552600 532831736 /nfs/dbraw/zinc/83/17/36/532831736.db2.gz KMLQMNLMLDMABA-ZANVPECISA-N 1 0 394.107 2.484 20 0 GEADRO COc1cc(Br)c(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc1O ZINC000414517362 532831857 /nfs/dbraw/zinc/83/18/57/532831857.db2.gz RCNXEBXROBFVND-UHFFFAOYSA-N 1 0 380.304 2.466 20 0 GEADRO COc1sc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Br ZINC000331008966 532831995 /nfs/dbraw/zinc/83/19/95/532831995.db2.gz 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COC(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000288776297 532838150 /nfs/dbraw/zinc/83/81/50/532838150.db2.gz PQPPIMNXUUDKOY-UONOGXRCSA-N 1 0 375.252 2.174 20 0 GEADRO O=C1N[C@H]2CN(Cc3ccccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415144139 532838383 /nfs/dbraw/zinc/83/83/83/532838383.db2.gz UOBUDACHEFPNOR-IRXDYDNUSA-N 1 0 393.329 2.169 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000288805603 532838520 /nfs/dbraw/zinc/83/85/20/532838520.db2.gz SDMNTDHVXKEXJW-MFKMUULPSA-N 1 0 389.315 2.326 20 0 GEADRO COc1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000415134270 532838628 /nfs/dbraw/zinc/83/86/28/532838628.db2.gz VWKFCVKVSMCFDF-AWEZNQCLSA-N 1 0 380.290 2.345 20 0 GEADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)cc1 ZINC000415168880 532838657 /nfs/dbraw/zinc/83/86/57/532838657.db2.gz VVQPVXPZFBZPIJ-SMDDNHRTSA-N 1 0 376.507 2.418 20 0 GEADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)c1 ZINC000415162200 532838688 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O=C(NC[C@@H]1CCC[NH2+]1)Nc1cc(F)c(F)cc1I ZINC000415235383 532839434 /nfs/dbraw/zinc/83/94/34/532839434.db2.gz CORFJHOQXQWHNW-ZETCQYMHSA-N 1 0 381.164 2.443 20 0 GEADRO C[C@H]1CSCCN(C(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415182291 532839530 /nfs/dbraw/zinc/83/95/30/532839530.db2.gz YQMWYWDYIJTGHK-SNVBAGLBSA-N 1 0 375.416 2.314 20 0 GEADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000274033333 532839752 /nfs/dbraw/zinc/83/97/52/532839752.db2.gz KKWKHOMJWWBPPD-UHFFFAOYSA-N 1 0 375.560 2.127 20 0 GEADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1nc(C)c(Br)s1 ZINC000415254835 532839781 /nfs/dbraw/zinc/83/97/81/532839781.db2.gz LHAXXMULFFNRTA-UHFFFAOYSA-N 1 0 397.298 2.188 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCC(=O)OC(C)(C)C)CC2)cc1 ZINC000359995803 212130634 /nfs/dbraw/zinc/13/06/34/212130634.db2.gz PLFHYXYBYBAOSF-UHFFFAOYSA-N 1 0 398.525 2.170 20 0 GEADRO COc1ccc(Br)cc1CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000359994451 212130664 /nfs/dbraw/zinc/13/06/64/212130664.db2.gz 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O=S(=O)(NC1CC[NH2+]CC1)c1cc(Br)ccc1Br ZINC000034955915 212110788 /nfs/dbraw/zinc/11/07/88/212110788.db2.gz QBGPKZFNINMFFM-UHFFFAOYSA-N 1 0 398.120 2.242 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)C1 ZINC000415282846 532840443 /nfs/dbraw/zinc/84/04/43/532840443.db2.gz NJTOORHWDANGJB-LBPRGKRZSA-N 1 0 398.301 2.163 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000415275151 532840502 /nfs/dbraw/zinc/84/05/02/532840502.db2.gz YLQOTVAVPOULGL-UHFFFAOYSA-N 1 0 394.191 2.356 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000415298170 532840711 /nfs/dbraw/zinc/84/07/11/532840711.db2.gz LAZHQFFTVIWVMF-VIFPVBQESA-N 1 0 394.191 2.227 20 0 GEADRO CN(C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)C1CC[NH2+]CC1 ZINC000415319184 532841344 /nfs/dbraw/zinc/84/13/44/532841344.db2.gz IMBQBILPPWVMHG-UHFFFAOYSA-N 1 0 392.656 2.391 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CCC[NH2+]CC2)c1 ZINC000415315480 532841399 /nfs/dbraw/zinc/84/13/99/532841399.db2.gz 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C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000331676809 532842522 /nfs/dbraw/zinc/84/25/22/532842522.db2.gz XUVWRNRFKUDALK-QWRGUYRKSA-N 1 0 388.331 2.182 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CCCO1 ZINC000415353101 532842557 /nfs/dbraw/zinc/84/25/57/532842557.db2.gz LSSDAJZNGTYJMB-CYBMUJFWSA-N 1 0 394.273 2.216 20 0 GEADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415355323 532842613 /nfs/dbraw/zinc/84/26/13/532842613.db2.gz GGXUZFQESSCVBW-ZETCQYMHSA-N 1 0 386.168 2.131 20 0 GEADRO C[NH2+]CCNC(=O)C(=O)Nc1ccnn1[C@H](C)c1cc(Cl)ccc1Cl ZINC000415365375 532843012 /nfs/dbraw/zinc/84/30/12/532843012.db2.gz VQBFVJHWULEAMH-SNVBAGLBSA-N 1 0 384.267 2.073 20 0 GEADRO C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000288949974 532843019 /nfs/dbraw/zinc/84/30/19/532843019.db2.gz XMOKHWNJLOHOIB-CQSZACIVSA-N 1 0 393.285 2.499 20 0 GEADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c(C)c2)s1 ZINC000415380749 532843188 /nfs/dbraw/zinc/84/31/88/532843188.db2.gz SZWSPBOBLMVOBB-JTQLQIEISA-N 1 0 379.511 2.098 20 0 GEADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000415369598 532843158 /nfs/dbraw/zinc/84/31/58/532843158.db2.gz BWZPOOBYSJNDID-NSHDSACASA-N 1 0 375.416 2.456 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415391070 532843436 /nfs/dbraw/zinc/84/34/36/532843436.db2.gz HFVNZHBSPPYCKD-LLVKDONJSA-N 1 0 391.269 2.004 20 0 GEADRO CC1(C)CCC[N@H+](CCNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000331715875 532843487 /nfs/dbraw/zinc/84/34/87/532843487.db2.gz OALOJYSRMOVNND-UHFFFAOYSA-N 1 0 380.290 2.344 20 0 GEADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415381525 532843484 /nfs/dbraw/zinc/84/34/84/532843484.db2.gz USVCMQBIENLGOR-ZETCQYMHSA-N 1 0 398.179 2.140 20 0 GEADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000415388149 532843603 /nfs/dbraw/zinc/84/36/03/532843603.db2.gz RBFNNKWONSYRMA-JTQLQIEISA-N 1 0 395.301 2.246 20 0 GEADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415398904 532843846 /nfs/dbraw/zinc/84/38/46/532843846.db2.gz UFRRTSLGWAWQAM-MRVPVSSYSA-N 1 0 392.656 2.248 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415398465 532844096 /nfs/dbraw/zinc/84/40/96/532844096.db2.gz SQWCUKAEDVGMNK-VIFPVBQESA-N 1 0 379.766 2.245 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000415395671 532844169 /nfs/dbraw/zinc/84/41/69/532844169.db2.gz FWQIUWKUWQVRPQ-UHFFFAOYSA-N 1 0 390.228 2.124 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)c1F ZINC000415405821 532844245 /nfs/dbraw/zinc/84/42/45/532844245.db2.gz ZHACLSPQMAYCOO-JTQLQIEISA-N 1 0 386.265 2.421 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)c1Br ZINC000415401334 532844259 /nfs/dbraw/zinc/84/42/59/532844259.db2.gz USOMJOSTNJCCIQ-JTQLQIEISA-N 1 0 386.265 2.421 20 0 GEADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000415407988 532844334 /nfs/dbraw/zinc/84/43/34/532844334.db2.gz GSOYYUKSEGGIBE-MRVPVSSYSA-N 1 0 376.682 2.321 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415408592 532844343 /nfs/dbraw/zinc/84/43/43/532844343.db2.gz RCMZSPBLCDIRLD-LBPRGKRZSA-N 1 0 398.301 2.292 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415409478 532844386 /nfs/dbraw/zinc/84/43/86/532844386.db2.gz ILHCPFDIFMRDMW-QMMMGPOBSA-N 1 0 396.207 2.378 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000415408443 532844363 /nfs/dbraw/zinc/84/43/63/532844363.db2.gz RLHJTGRLRADLTA-JTQLQIEISA-N 1 0 390.228 2.266 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415409363 532844486 /nfs/dbraw/zinc/84/44/86/532844486.db2.gz TUGBAQGPZHVDAM-JTQLQIEISA-N 1 0 388.693 2.465 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000415403809 532844541 /nfs/dbraw/zinc/84/45/41/532844541.db2.gz XFUUHXVYMXYXRN-MRVPVSSYSA-N 1 0 390.228 2.252 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)CC1 ZINC000415408161 532844616 /nfs/dbraw/zinc/84/46/16/532844616.db2.gz ZLHPJMPWVIZUJJ-UHFFFAOYSA-N 1 0 398.301 2.163 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000415401444 532844648 /nfs/dbraw/zinc/84/46/48/532844648.db2.gz HEBUQWVBZDBBLF-SNVBAGLBSA-N 1 0 375.803 2.386 20 0 GEADRO COC(=O)c1ncsc1S(=O)(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000274219433 532845039 /nfs/dbraw/zinc/84/50/39/532845039.db2.gz WUEDETUACBRHEX-UHFFFAOYSA-N 1 0 389.543 2.062 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000415430093 532845053 /nfs/dbraw/zinc/84/50/53/532845053.db2.gz SNEJADIROPXKOV-HNNXBMFYSA-N 1 0 398.301 2.420 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415445571 532845782 /nfs/dbraw/zinc/84/57/82/532845782.db2.gz SISOIAIYEOMEMN-ZDUSSCGKSA-N 1 0 397.317 2.087 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415449242 532846037 /nfs/dbraw/zinc/84/60/37/532846037.db2.gz VNLJOZVLFAOGJF-SNVBAGLBSA-N 1 0 380.645 2.280 20 0 GEADRO COc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c(Br)c1 ZINC000289053781 532846026 /nfs/dbraw/zinc/84/60/26/532846026.db2.gz BOQBSKRAZIVYSZ-UHFFFAOYSA-N 1 0 391.331 2.314 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415442397 532846054 /nfs/dbraw/zinc/84/60/54/532846054.db2.gz PWFFTALYIUWGEU-VXGBXAGGSA-N 1 0 398.301 2.290 20 0 GEADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000331914464 532846601 /nfs/dbraw/zinc/84/66/01/532846601.db2.gz NKFLGBVYGBTFQN-NWDGAFQWSA-N 1 0 378.274 2.194 20 0 GEADRO Cc1cc(Br)c(NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1Cl ZINC000415481746 532846735 /nfs/dbraw/zinc/84/67/35/532846735.db2.gz WDPIQHYCMQQIJV-SNVBAGLBSA-N 1 0 375.698 2.436 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415485855 532846861 /nfs/dbraw/zinc/84/68/61/532846861.db2.gz PFKSWPUQBKRBLQ-NSHDSACASA-N 1 0 379.262 2.103 20 0 GEADRO Cc1nc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1Br ZINC000415498439 532847841 /nfs/dbraw/zinc/84/78/41/532847841.db2.gz QHZGHSFQMFSHSG-LBPRGKRZSA-N 1 0 398.305 2.004 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415496149 532847894 /nfs/dbraw/zinc/84/78/94/532847894.db2.gz GFBPMRIDKSTPQD-GFCCVEGCSA-N 1 0 386.290 2.228 20 0 GEADRO CCCN(C(=O)C(=O)Nc1ccc(OC)c(Br)c1)C1CC[NH2+]CC1 ZINC000415496362 532847959 /nfs/dbraw/zinc/84/79/59/532847959.db2.gz GRJHDMCXFXGFLW-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000415516763 532848239 /nfs/dbraw/zinc/84/82/39/532848239.db2.gz HLRZGYDJZPVESV-UHFFFAOYSA-N 1 0 381.782 2.335 20 0 GEADRO O=C(CCCc1ccc(Br)s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289151550 532848250 /nfs/dbraw/zinc/84/82/50/532848250.db2.gz GJFDGFHVHOKXMX-CYBMUJFWSA-N 1 0 386.359 2.339 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415506899 532848252 /nfs/dbraw/zinc/84/82/52/532848252.db2.gz UDIKNHLYUIVWNQ-VIFPVBQESA-N 1 0 384.303 2.945 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415507528 532848258 /nfs/dbraw/zinc/84/82/58/532848258.db2.gz DDQQWUSPALRCJZ-ZCFIWIBFSA-N 1 0 383.073 2.405 20 0 GEADRO Cc1cc(Br)cc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000415521308 532848382 /nfs/dbraw/zinc/84/83/82/532848382.db2.gz BULDMLWHPBSOKT-LBPRGKRZSA-N 1 0 383.290 2.076 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415509804 532848480 /nfs/dbraw/zinc/84/84/80/532848480.db2.gz INZIOFQTUKAGCA-ZETCQYMHSA-N 1 0 382.180 2.117 20 0 GEADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)n1 ZINC000415537984 532849424 /nfs/dbraw/zinc/84/94/24/532849424.db2.gz IKOIFWMZNDZQJX-CQSZACIVSA-N 1 0 376.507 2.395 20 0 GEADRO CS(=O)(=O)Nc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000332178103 532849356 /nfs/dbraw/zinc/84/93/56/532849356.db2.gz NZPIZPCDFOKHCO-JKOKRWQUSA-N 1 0 386.905 2.303 20 0 GEADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC000289217702 532849989 /nfs/dbraw/zinc/84/99/89/532849989.db2.gz NKFICIOMHLGKMM-UHFFFAOYSA-N 1 0 375.803 2.087 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)[C@H](C)C[NH2+]1 ZINC000415551444 532849783 /nfs/dbraw/zinc/84/97/83/532849783.db2.gz DMHMHZXUXARLLI-GHMZBOCLSA-N 1 0 391.269 2.145 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415550175 532849847 /nfs/dbraw/zinc/84/98/47/532849847.db2.gz ILFOXEQAKAZQER-ZETCQYMHSA-N 1 0 382.180 2.260 20 0 GEADRO O=S(=O)(CCC[NH2+]Cc1cnc(C2OCCO2)s1)Cc1ccccc1 ZINC000289217938 532850020 /nfs/dbraw/zinc/85/00/20/532850020.db2.gz JCXZTDRTEXJZSP-UHFFFAOYSA-N 1 0 382.507 2.283 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000415567583 532850237 /nfs/dbraw/zinc/85/02/37/532850237.db2.gz JXNPDIAVMQWEQD-VXGBXAGGSA-N 1 0 398.301 2.371 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415567955 532850480 /nfs/dbraw/zinc/85/04/80/532850480.db2.gz HVKWQGHTHSTLTF-MRXNPFEDSA-N 1 0 386.265 2.341 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CCC1 ZINC000415563998 532850495 /nfs/dbraw/zinc/85/04/95/532850495.db2.gz RSJVSFRXARVTKO-UHFFFAOYSA-N 1 0 379.766 2.217 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415580414 532850718 /nfs/dbraw/zinc/85/07/18/532850718.db2.gz RDARPOYDOUBBGK-WDEREUQCSA-N 1 0 391.269 2.132 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(C)c1Br ZINC000332258972 532850787 /nfs/dbraw/zinc/85/07/87/532850787.db2.gz DDPAVRQQVJYQFE-QWHCGFSZSA-N 1 0 380.286 2.072 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415570938 532850439 /nfs/dbraw/zinc/85/04/39/532850439.db2.gz MPVMKGQGJZYMAT-UHFFFAOYSA-N 1 0 398.301 2.292 20 0 GEADRO CC1(CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[NH2+]CC1 ZINC000415577318 532850922 /nfs/dbraw/zinc/85/09/22/532850922.db2.gz XTCUMGTUUAVDPX-UHFFFAOYSA-N 1 0 390.228 2.172 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCC[NH2+]C1 ZINC000415574422 532850925 /nfs/dbraw/zinc/85/09/25/532850925.db2.gz RMKQGVZDEXHORC-QGZVFWFLSA-N 1 0 395.301 2.166 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415635651 532851652 /nfs/dbraw/zinc/85/16/52/532851652.db2.gz VLUCKIDXQLBEOC-BETUJISGSA-N 1 0 396.285 2.139 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)C[C@@H]21 ZINC000332301574 532851661 /nfs/dbraw/zinc/85/16/61/532851661.db2.gz GAWRLFFTMGAMEH-SUZMYJTESA-N 1 0 384.249 2.113 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415640492 532851893 /nfs/dbraw/zinc/85/18/93/532851893.db2.gz VGLATVNOHJKGDQ-QWRGUYRKSA-N 1 0 384.274 2.091 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)C[C@H]21 ZINC000332301586 532852002 /nfs/dbraw/zinc/85/20/02/532852002.db2.gz GAWRLFFTMGAMEH-UFGOTCBOSA-N 1 0 384.249 2.113 20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332348722 532852238 /nfs/dbraw/zinc/85/22/38/532852238.db2.gz OIXHANRVSZOGSX-OUCADQQQSA-N 1 0 380.286 2.282 20 0 GEADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000415656761 532852267 /nfs/dbraw/zinc/85/22/67/532852267.db2.gz LMXVJFJKNXJGPU-XHDPSFHLSA-N 1 0 398.301 2.289 20 0 GEADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000289320478 532852449 /nfs/dbraw/zinc/85/24/49/532852449.db2.gz XBZMJSZAALLTCC-JTQLQIEISA-N 1 0 380.436 2.138 20 0 GEADRO CS(=O)(=O)Cc1cccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000332347842 532852435 /nfs/dbraw/zinc/85/24/35/532852435.db2.gz XNZMSUKVZNJPQT-KRWDZBQOSA-N 1 0 382.551 2.387 20 0 GEADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332348368 532852484 /nfs/dbraw/zinc/85/24/84/532852484.db2.gz UEKWDLLEFRSXCM-UWVGGRQHSA-N 1 0 386.677 2.109 20 0 GEADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415661000 532852724 /nfs/dbraw/zinc/85/27/24/532852724.db2.gz UINIWAFECMJKSD-PHIMTYICSA-N 1 0 376.869 2.080 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c(F)cc1Br ZINC000415672715 532853299 /nfs/dbraw/zinc/85/32/99/532853299.db2.gz BHDHETVDXOYGSR-NSHDSACASA-N 1 0 386.265 2.423 20 0 GEADRO Cc1ccc(O[C@H](C)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000289362153 532853350 /nfs/dbraw/zinc/85/33/50/532853350.db2.gz ZIXBRYLJOMFIOZ-CABCVRRESA-N 1 0 396.329 2.031 20 0 GEADRO COc1cc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)ccc1Br ZINC000415680111 532853494 /nfs/dbraw/zinc/85/34/94/532853494.db2.gz QPMQFDYSOVNTCD-AWEZNQCLSA-N 1 0 398.301 2.291 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415688134 532853621 /nfs/dbraw/zinc/85/36/21/532853621.db2.gz JNQBQQWCJZLTKC-INIZCTEOSA-N 1 0 375.416 2.319 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC[NH2+]1 ZINC000415680303 532853650 /nfs/dbraw/zinc/85/36/50/532853650.db2.gz PYVGMANDMGQXHI-MWLCHTKSSA-N 1 0 375.416 2.378 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000332373805 532853791 /nfs/dbraw/zinc/85/37/91/532853791.db2.gz YYCJQEFNTLHHJS-CMPLNLGQSA-N 1 0 398.276 2.063 20 0 GEADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289407238 532854121 /nfs/dbraw/zinc/85/41/21/532854121.db2.gz UJHDFLQCJGRQRC-CVEARBPZSA-N 1 0 385.302 2.050 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000415721521 532854664 /nfs/dbraw/zinc/85/46/64/532854664.db2.gz GLIUBHUKIBJRIK-XYPYZODXSA-N 1 0 386.265 2.408 20 0 GEADRO Cc1ccc(CCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(Br)c1 ZINC000274722976 532855024 /nfs/dbraw/zinc/85/50/24/532855024.db2.gz YKFFHKXWZLVRPA-MRXNPFEDSA-N 1 0 396.329 2.146 20 0 GEADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000415744915 532855616 /nfs/dbraw/zinc/85/56/16/532855616.db2.gz LRTCJNIWSFHKMI-GHMZBOCLSA-N 1 0 386.279 2.399 20 0 GEADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415740397 532855644 /nfs/dbraw/zinc/85/56/44/532855644.db2.gz HAEHBSGFMHWOEE-VHSXEESVSA-N 1 0 375.778 2.365 20 0 GEADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NC1CCC([NH3+])CC1)CC2 ZINC000332456161 532855747 /nfs/dbraw/zinc/85/57/47/532855747.db2.gz GNSUEKYLXQEBOM-UHFFFAOYSA-N 1 0 394.313 2.028 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415755591 532855943 /nfs/dbraw/zinc/85/59/43/532855943.db2.gz JUYSPQJWBDCNHQ-LBPRGKRZSA-N 1 0 378.274 2.708 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415753727 532855947 /nfs/dbraw/zinc/85/59/47/532855947.db2.gz DGFCHUUPQIVOAL-UHFFFAOYSA-N 1 0 378.217 2.300 20 0 GEADRO C[C@@](C[NH3+])(NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000415755736 532855973 /nfs/dbraw/zinc/85/59/73/532855973.db2.gz KLQJDMAPXVFBQG-INIZCTEOSA-N 1 0 378.274 2.884 20 0 GEADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415753150 532856031 /nfs/dbraw/zinc/85/60/31/532856031.db2.gz CFZWWEVEZHAALU-UHFFFAOYSA-N 1 0 383.290 2.294 20 0 GEADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415761693 532856073 /nfs/dbraw/zinc/85/60/73/532856073.db2.gz UNTRIEQTFIRABJ-RISCZKNCSA-N 1 0 378.274 2.754 20 0 GEADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415763136 532856357 /nfs/dbraw/zinc/85/63/57/532856357.db2.gz NPTDXWXHQWGAGL-LBPRGKRZSA-N 1 0 398.276 2.375 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000415768129 532856529 /nfs/dbraw/zinc/85/65/29/532856529.db2.gz YOANWGPPQQAREN-UHFFFAOYSA-N 1 0 386.290 2.420 20 0 GEADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@H]([NH3+])CC ZINC000415779523 532856978 /nfs/dbraw/zinc/85/69/78/532856978.db2.gz BJGLJVDZUOUHTA-SECBINFHSA-N 1 0 392.681 2.293 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(I)cc1OC ZINC000415775111 532856981 /nfs/dbraw/zinc/85/69/81/532856981.db2.gz RTZNAKFSVUHFIW-VIFPVBQESA-N 1 0 377.226 2.277 20 0 GEADRO COc1cc(I)ccc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415776654 532856755 /nfs/dbraw/zinc/85/67/55/532856755.db2.gz XLLGJGQQQMMBQT-VIFPVBQESA-N 1 0 375.210 2.125 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000415790486 532857202 /nfs/dbraw/zinc/85/72/02/532857202.db2.gz PGLZFHYYVVUULM-UHFFFAOYSA-N 1 0 394.191 2.355 20 0 GEADRO C[N@H+](C[C@H](O)CN1CCO[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000289512145 532857375 /nfs/dbraw/zinc/85/73/75/532857375.db2.gz LVKVUKONMOJLOE-YOEHRIQHSA-N 1 0 387.293 2.417 20 0 GEADRO CCCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c(F)c1 ZINC000415785949 532857366 /nfs/dbraw/zinc/85/73/66/532857366.db2.gz LDEZGCVXBRVNBN-GFCCVEGCSA-N 1 0 382.408 2.081 20 0 GEADRO C[C@]1(F)CNCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415781532 532857455 /nfs/dbraw/zinc/85/74/55/532857455.db2.gz LLSPOVGSHNBGBW-AWEZNQCLSA-N 1 0 381.757 2.457 20 0 GEADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415782723 532857482 /nfs/dbraw/zinc/85/74/82/532857482.db2.gz HAZZLBBYNUWBJJ-QMMMGPOBSA-N 1 0 382.180 2.260 20 0 GEADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000415775637 532857035 /nfs/dbraw/zinc/85/70/35/532857035.db2.gz ACRANWHWWYYIKT-RNFRBKRXSA-N 1 0 382.180 2.258 20 0 GEADRO COc1cc(I)ccc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415776685 532857057 /nfs/dbraw/zinc/85/70/57/532857057.db2.gz XNCPEKKOYHMXQG-SNVBAGLBSA-N 1 0 377.226 2.405 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)c(Br)c1 ZINC000415791399 532857853 /nfs/dbraw/zinc/85/78/53/532857853.db2.gz QKBRNJMFSVMXNQ-JTQLQIEISA-N 1 0 378.217 2.103 20 0 GEADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)c1Br ZINC000415795820 532857869 /nfs/dbraw/zinc/85/78/69/532857869.db2.gz XLSTYEKUKAXSLY-QMMMGPOBSA-N 1 0 398.635 2.448 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)CCc2nc3cc(Br)ccc3s2)CCO1 ZINC000274840973 532858021 /nfs/dbraw/zinc/85/80/21/532858021.db2.gz WSBXZEIHKIHIED-LLVKDONJSA-N 1 0 384.299 2.178 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)c(F)cc1Br ZINC000415805906 532858290 /nfs/dbraw/zinc/85/82/90/532858290.db2.gz OGNZMHUPAHDUFY-NSHDSACASA-N 1 0 386.265 2.484 20 0 GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415808012 532858383 /nfs/dbraw/zinc/85/83/83/532858383.db2.gz LOPLCORHOWZZBD-GHMZBOCLSA-N 1 0 386.265 2.469 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415819179 532858696 /nfs/dbraw/zinc/85/86/96/532858696.db2.gz YKFZHAKASXXVGP-ABAIWWIYSA-N 1 0 380.286 2.331 20 0 GEADRO C[C@@H](CC[NH+]1CCN(C)CC1)NCc1nc2ccccn2c1Br ZINC000289556983 532858730 /nfs/dbraw/zinc/85/87/30/532858730.db2.gz GOLHDHFAMTYCNT-AWEZNQCLSA-N 1 0 380.334 2.212 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415819697 532858832 /nfs/dbraw/zinc/85/88/32/532858832.db2.gz JIOOZYOWVKYDNT-NWDGAFQWSA-N 1 0 398.276 2.375 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415818027 532858924 /nfs/dbraw/zinc/85/89/24/532858924.db2.gz VURKRQIRGLMTKJ-RKDXNWHRSA-N 1 0 390.228 2.300 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415805105 532858404 /nfs/dbraw/zinc/85/84/04/532858404.db2.gz MUFLBDVJIKYVQZ-CYBMUJFWSA-N 1 0 398.276 2.126 20 0 GEADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)C(F)(F)F ZINC000415829027 532859470 /nfs/dbraw/zinc/85/94/70/532859470.db2.gz DQVARFKOBACKKK-VIFPVBQESA-N 1 0 376.137 2.467 20 0 GEADRO CCOc1c(Br)cc(CN2CCc3n[nH]c(=O)cc3C2)cc1OC ZINC000274894177 532859077 /nfs/dbraw/zinc/85/90/77/532859077.db2.gz FJSKTKWFNKADHE-UHFFFAOYSA-N 1 0 394.269 2.498 20 0 GEADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(Br)c1 ZINC000332643716 532859151 /nfs/dbraw/zinc/85/91/51/532859151.db2.gz ZEHPELFCBFDIND-RYUDHWBXSA-N 1 0 396.285 2.091 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415826369 532859200 /nfs/dbraw/zinc/85/92/00/532859200.db2.gz BGIMETHRYLOYGI-YUMQZZPRSA-N 1 0 392.656 2.424 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415831145 532859289 /nfs/dbraw/zinc/85/92/89/532859289.db2.gz HFRCQCFURVWHTF-JTQLQIEISA-N 1 0 382.180 2.092 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415840855 532859629 /nfs/dbraw/zinc/85/96/29/532859629.db2.gz QBBCPPCIJRTGJN-MNOVXSKESA-N 1 0 391.269 2.179 20 0 GEADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C[C@H]1C[NH3+] ZINC000415838382 532859869 /nfs/dbraw/zinc/85/98/69/532859869.db2.gz DBJVUBLRUNGPEM-VHSXEESVSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C[C@H]1C[NH3+] ZINC000415837984 532859902 /nfs/dbraw/zinc/85/99/02/532859902.db2.gz DACBPTFDIANGBD-NXEZZACHSA-N 1 0 388.693 2.484 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000332682830 532860027 /nfs/dbraw/zinc/86/00/27/532860027.db2.gz PJYBLICLROWKDP-UMVBOHGHSA-N 1 0 394.313 2.401 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C[C@@]1(C)C[NH3+] ZINC000415842745 532860127 /nfs/dbraw/zinc/86/01/27/532860127.db2.gz QNDVQCRWBKWNDT-RFAUZJTJSA-N 1 0 388.693 2.484 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415843164 532860261 /nfs/dbraw/zinc/86/02/61/532860261.db2.gz SGYYNRMKENKDCG-KOLCDFICSA-N 1 0 375.416 2.365 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C[C@@]1(C)C[NH3+] ZINC000415845199 532860272 /nfs/dbraw/zinc/86/02/72/532860272.db2.gz VKZUDZAHWHTXRR-RFAUZJTJSA-N 1 0 388.693 2.484 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415853339 532860548 /nfs/dbraw/zinc/86/05/48/532860548.db2.gz TWSYBCDRDGJNAA-ZWNOBZJWSA-N 1 0 382.302 2.448 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC000415850510 532860680 /nfs/dbraw/zinc/86/06/80/532860680.db2.gz NVMJSQRZJNKCLV-GXSJLCMTSA-N 1 0 386.265 2.278 20 0 GEADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415856133 532860770 /nfs/dbraw/zinc/86/07/70/532860770.db2.gz PSENWFBSBUTWPO-CHWSQXEVSA-N 1 0 380.286 2.236 20 0 GEADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415866226 532860998 /nfs/dbraw/zinc/86/09/98/532860998.db2.gz BTKDGSYEQXMFPJ-NXEZZACHSA-N 1 0 375.778 2.365 20 0 GEADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415866229 532861078 /nfs/dbraw/zinc/86/10/78/532861078.db2.gz BTKDGSYEQXMFPJ-ZJUUUORDSA-N 1 0 375.778 2.365 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C[C@@]1(C)C[NH3+] ZINC000415859874 532861133 /nfs/dbraw/zinc/86/11/33/532861133.db2.gz GYEMMFMYXVUFHH-RFAUZJTJSA-N 1 0 388.693 2.484 20 0 GEADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000289628426 532861171 /nfs/dbraw/zinc/86/11/71/532861171.db2.gz PGOSQMBCIMJPEY-CQSZACIVSA-N 1 0 389.949 2.245 20 0 GEADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415875973 532861503 /nfs/dbraw/zinc/86/15/03/532861503.db2.gz BXIOFXRUGPOBNZ-UHFFFAOYSA-N 1 0 388.212 2.092 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000415872335 532861542 /nfs/dbraw/zinc/86/15/42/532861542.db2.gz RAMGCNFELWUXFV-HBNTYKKESA-N 1 0 386.279 2.445 20 0 GEADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)C(=O)N(C)CC[NH3+])c1C 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[NH3+]CC[C@H](NC(=O)NCc1cc(Br)cc2c1OCC2)C(F)(F)F ZINC000416032127 532863611 /nfs/dbraw/zinc/86/36/11/532863611.db2.gz PSIOPHXTIIHWCH-NSHDSACASA-N 1 0 396.207 2.463 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333140460 532864759 /nfs/dbraw/zinc/86/47/59/532864759.db2.gz CYINKKOSZQVOQL-DOMZBBRYSA-N 1 0 395.301 2.089 20 0 GEADRO [NH3+]C1(CNC(=O)Nc2nnc(C(F)(F)F)s2)C2CC3CC(C2)CC1C3 ZINC000333164391 532865215 /nfs/dbraw/zinc/86/52/15/532865215.db2.gz ONXZKINPHQAKTK-UHFFFAOYSA-N 1 0 375.420 2.832 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nnn1-c1cccc(Br)c1 ZINC000289853125 532866377 /nfs/dbraw/zinc/86/63/77/532866377.db2.gz CHLFYKOSHWXTKS-CHWSQXEVSA-N 1 0 390.285 2.020 20 0 GEADRO COc1ccc(Br)cc1C1(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000416192200 532866598 /nfs/dbraw/zinc/86/65/98/532866598.db2.gz QBEUMJBNZZPBMN-UHFFFAOYSA-N 1 0 385.302 2.184 20 0 GEADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CCC2(CC[NH2+]2)CC1 ZINC000333323376 532867106 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O=C(NCCn1cc(Br)cn1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333493013 532869562 /nfs/dbraw/zinc/86/95/62/532869562.db2.gz COIDHIDLICVXHJ-UKRRQHHQSA-N 1 0 384.322 2.209 20 0 GEADRO Cc1ccc(OCCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000416286002 532869823 /nfs/dbraw/zinc/86/98/23/532869823.db2.gz AKGUQZJWGBSXQT-HUUCEWRRSA-N 1 0 399.329 2.440 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc(Br)cnc3-n3cccn3)C[C@@H]21 ZINC000333539379 532870259 /nfs/dbraw/zinc/87/02/59/532870259.db2.gz RSFPVEMNTUYKEX-RISCZKNCSA-N 1 0 391.273 2.198 20 0 GEADRO C[NH+](C)C1(CNC(=O)CCOc2ccccc2I)CC1 ZINC000416306535 532870422 /nfs/dbraw/zinc/87/04/22/532870422.db2.gz GLTOCABOMKTTHO-UHFFFAOYSA-N 1 0 388.249 2.271 20 0 GEADRO COc1cc(NC(=O)c2c(Br)cnn2C)ccc1OCC[NH+](C)C ZINC000416331767 532871122 /nfs/dbraw/zinc/87/11/22/532871122.db2.gz DHCFWOPCBDTFOS-UHFFFAOYSA-N 1 0 397.273 2.384 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)nc12 ZINC000333568645 532871161 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GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000333733054 532872875 /nfs/dbraw/zinc/87/28/75/532872875.db2.gz WLFMZOTXTRDYTG-ZBFHGGJFSA-N 1 0 376.881 2.386 20 0 GEADRO O=C(c1cccc(Br)c1F)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333776487 532873515 /nfs/dbraw/zinc/87/35/15/532873515.db2.gz TYXMSUOAQYHFTE-GFCCVEGCSA-N 1 0 398.276 2.015 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333772417 532873703 /nfs/dbraw/zinc/87/37/03/532873703.db2.gz CFEAQXIGZGRZPH-OAHLLOKOSA-N 1 0 379.913 2.210 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333772414 532873665 /nfs/dbraw/zinc/87/36/65/532873665.db2.gz CFEAQXIGZGRZPH-HNNXBMFYSA-N 1 0 379.913 2.210 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000290206309 532875361 /nfs/dbraw/zinc/87/53/61/532875361.db2.gz VJWRAZOZAWIVGG-OAHLLOKOSA-N 1 0 376.507 2.339 20 0 GEADRO C[NH+](C)CCC1CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000333939446 532875917 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C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(Br)cn1 ZINC000334064739 532878267 /nfs/dbraw/zinc/87/82/67/532878267.db2.gz ONRYVRNEONRVPI-QWHCGFSZSA-N 1 0 399.333 2.392 20 0 GEADRO CSc1nnc(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000275551457 532878555 /nfs/dbraw/zinc/87/85/55/532878555.db2.gz BZCYXVPAKUXBHG-UHFFFAOYSA-N 1 0 381.527 2.200 20 0 GEADRO C[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417182845 532878854 /nfs/dbraw/zinc/87/88/54/532878854.db2.gz QVKMDHYJWHLZED-WHXUTIOJSA-N 1 0 384.274 2.412 20 0 GEADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417259245 532879303 /nfs/dbraw/zinc/87/93/03/532879303.db2.gz GQBDYAQAAIOJHU-XEZPLFJOSA-N 1 0 381.318 2.407 20 0 GEADRO C[C@H](O)c1ncc(C[NH2+]C[C@H](O)COc2ccccc2Br)s1 ZINC000290391724 532879758 /nfs/dbraw/zinc/87/97/58/532879758.db2.gz OQNSCGZTOPNNCW-QWRGUYRKSA-N 1 0 387.299 2.488 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000417444510 532879799 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20 0 GEADRO CC[C@H](CN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000419870848 532883178 /nfs/dbraw/zinc/88/31/78/532883178.db2.gz DUNXIPREKNKVDW-VXGBXAGGSA-N 1 0 388.295 2.087 20 0 GEADRO C[C@H](NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000419878357 532883305 /nfs/dbraw/zinc/88/33/05/532883305.db2.gz GFVMZGKMONWEIZ-IHRRRGAJSA-N 1 0 396.329 2.473 20 0 GEADRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(Br)c1 ZINC000420453478 532883463 /nfs/dbraw/zinc/88/34/63/532883463.db2.gz CKHFKCOKSLAIRY-QMTHXVAHSA-N 1 0 377.304 2.063 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420453962 532883529 /nfs/dbraw/zinc/88/35/29/532883529.db2.gz KUMRUUZXWPJOGS-RKDXNWHRSA-N 1 0 381.267 2.003 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000420457804 532883702 /nfs/dbraw/zinc/88/37/02/532883702.db2.gz IGAZKVAIXAPBJB-CYBMUJFWSA-N 1 0 395.294 2.263 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC[C@@H]([NH3+])C(C)C)cc1Br ZINC000418419558 532880820 /nfs/dbraw/zinc/88/08/20/532880820.db2.gz ZDNFSPBYHMDPLL-GDBMZVCRSA-N 1 0 386.334 2.191 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418430019 532880853 /nfs/dbraw/zinc/88/08/53/532880853.db2.gz QXPLRWIRFNUVAD-VYDXJSESSA-N 1 0 398.345 2.417 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000418424654 532880861 /nfs/dbraw/zinc/88/08/61/532880861.db2.gz HETUUBIYMFYTQF-UHFFFAOYSA-N 1 0 375.300 2.378 20 0 GEADRO O=C(c1cc(Cl)ncc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000290446417 532881127 /nfs/dbraw/zinc/88/11/27/532881127.db2.gz XEZJMUZNRYTOQR-UHFFFAOYSA-N 1 0 388.693 2.434 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC3(C)CC[NH2+]CC3)ccc2s1 ZINC000420453455 532883889 /nfs/dbraw/zinc/88/38/89/532883889.db2.gz UQQDVHHHSBWIDN-UHFFFAOYSA-N 1 0 382.507 2.498 20 0 GEADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418919871 532881489 /nfs/dbraw/zinc/88/14/89/532881489.db2.gz BDJAJIUGLDZTCP-CVEARBPZSA-N 1 0 394.313 2.275 20 0 GEADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420918938 532887432 /nfs/dbraw/zinc/88/74/32/532887432.db2.gz AOFTWNVGBXUODG-IRXDYDNUSA-N 1 0 383.330 2.149 20 0 GEADRO CSc1nnc(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000275857624 532884652 /nfs/dbraw/zinc/88/46/52/532884652.db2.gz LPADPXVNGZTOAA-UHFFFAOYSA-N 1 0 377.539 2.089 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275872816 532885027 /nfs/dbraw/zinc/88/50/27/532885027.db2.gz KAJBQORBKGPLEG-JTQLQIEISA-N 1 0 388.331 2.229 20 0 GEADRO O[C@@H](C[NH2+]Cc1c(Br)cncc1Br)C1CCOCC1 ZINC000290807565 532889933 /nfs/dbraw/zinc/88/99/33/532889933.db2.gz FVCASKYIUCODTB-ZDUSSCGKSA-N 1 0 394.107 2.484 20 0 GEADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000360238533 532890062 /nfs/dbraw/zinc/89/00/62/532890062.db2.gz RCOAHIIQYIVHJL-JGGQBBKZSA-N 1 0 383.286 2.196 20 0 GEADRO O=S(=O)(NC[C@H]1CCC[C@H]1N1CCOCC1)c1ccc(Cl)nc1Cl ZINC000360231066 532890128 /nfs/dbraw/zinc/89/01/28/532890128.db2.gz TZUMASDMYRIQGT-VXGBXAGGSA-N 1 0 394.324 2.168 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(Br)c(F)cc1F ZINC000276054259 532888369 /nfs/dbraw/zinc/88/83/69/532888369.db2.gz JETUSSJKRBRVKV-SECBINFHSA-N 1 0 377.233 2.095 20 0 GEADRO COc1ccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1Br ZINC000276070560 532888853 /nfs/dbraw/zinc/88/88/53/532888853.db2.gz LNCDQNSJTBPMMD-LLVKDONJSA-N 1 0 396.285 2.163 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)cs1 ZINC000276070660 532888924 /nfs/dbraw/zinc/88/89/24/532888924.db2.gz JXPYMLXQUVNKIY-UHFFFAOYSA-N 1 0 382.507 2.117 20 0 GEADRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000421831984 532890924 /nfs/dbraw/zinc/89/09/24/532890924.db2.gz FKMPAUWOUZIJSN-UKRRQHHQSA-N 1 0 390.933 2.488 20 0 GEADRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000421842345 532890962 /nfs/dbraw/zinc/89/09/62/532890962.db2.gz KTTMXYIKLXIUBT-BBRMVZONSA-N 1 0 392.924 2.488 20 0 GEADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(c(Br)c1)OCO2 ZINC000360870750 532891183 /nfs/dbraw/zinc/89/11/83/532891183.db2.gz GWKZWIIHNMBRCY-ZDUSSCGKSA-N 1 0 397.269 2.161 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000361278066 532892410 /nfs/dbraw/zinc/89/24/10/532892410.db2.gz IGMAZIPTDIQKLL-PXAZEXFGSA-N 1 0 396.285 2.268 20 0 GEADRO COc1ccc(Br)c(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000361278069 532892562 /nfs/dbraw/zinc/89/25/62/532892562.db2.gz IGMAZIPTDIQKLL-YVEFUNNKSA-N 1 0 396.285 2.268 20 0 GEADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCOCC(F)(F)C(F)F)CCC2 ZINC000290827446 532890407 /nfs/dbraw/zinc/89/04/07/532890407.db2.gz XLQDSIAHTRVRNK-CYBMUJFWSA-N 1 0 384.395 2.218 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000423099635 532893989 /nfs/dbraw/zinc/89/39/89/532893989.db2.gz MBAGRCMBTZHILF-ZIAGYGMSSA-N 1 0 396.329 2.395 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000423104959 532894055 /nfs/dbraw/zinc/89/40/55/532894055.db2.gz HUEHFSGGKIBPQQ-HZPDHXFCSA-N 1 0 394.313 2.323 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000423105600 532894149 /nfs/dbraw/zinc/89/41/49/532894149.db2.gz QXFBKRISRCIPSG-ZIAGYGMSSA-N 1 0 396.329 2.395 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423098032 532894208 /nfs/dbraw/zinc/89/42/08/532894208.db2.gz JSOPFFXTZZISFR-CZUORRHYSA-N 1 0 396.329 2.382 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000423100920 532894253 /nfs/dbraw/zinc/89/42/53/532894253.db2.gz NALGUXGZLQBXJS-OAHLLOKOSA-N 1 0 382.302 2.008 20 0 GEADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000423105943 532894349 /nfs/dbraw/zinc/89/43/49/532894349.db2.gz NVGDERRUGBXNQT-XJKSGUPXSA-N 1 0 394.313 2.122 20 0 GEADRO C[C@@H]1CCN(C(=O)c2c(F)cccc2I)C[C@@H]1C[NH3+] ZINC000424019986 532894559 /nfs/dbraw/zinc/89/45/59/532894559.db2.gz SAWMYFPTJTWVPX-ZJUUUORDSA-N 1 0 376.213 2.487 20 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/nfs/dbraw/zinc/89/50/58/532895058.db2.gz FMYLRRXHBUJABW-XPCVCDNBSA-N 1 0 383.539 2.233 20 0 GEADRO C[C@@H]1C[C@H](C)N(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000424051412 532895104 /nfs/dbraw/zinc/89/51/04/532895104.db2.gz JNHUPIJMTOTWEG-MBNYWOFBSA-N 1 0 382.302 2.011 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)C2)CC1 ZINC000276409837 532895477 /nfs/dbraw/zinc/89/54/77/532895477.db2.gz DMNCHKYPQGMFEO-NSHDSACASA-N 1 0 377.436 2.406 20 0 GEADRO C[NH+](C)CCc1ccc(CNC(=O)Cn2cc(Br)ccc2=O)cc1 ZINC000276401699 532895512 /nfs/dbraw/zinc/89/55/12/532895512.db2.gz OKMBYFIJGHGYOF-UHFFFAOYSA-N 1 0 392.297 2.031 20 0 GEADRO Cc1cc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)s1 ZINC000362620804 532896477 /nfs/dbraw/zinc/89/64/77/532896477.db2.gz IIMSIHLTQSMGBJ-CQSZACIVSA-N 1 0 387.571 2.057 20 0 GEADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C1 ZINC000291115027 532896532 /nfs/dbraw/zinc/89/65/32/532896532.db2.gz VGUWMECQHDXQCO-NZBPQXDJSA-N 1 0 385.555 2.383 20 0 GEADRO O=C(NCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)c1ccc(Br)cc1 ZINC000363323288 532898268 /nfs/dbraw/zinc/89/82/68/532898268.db2.gz UZQQFZOVRMZIPK-ZBFHGGJFSA-N 1 0 394.313 2.170 20 0 GEADRO CS(=O)(=O)NCC1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291269515 532899495 /nfs/dbraw/zinc/89/94/95/532899495.db2.gz XWYZTEHGSOUBFC-HNNXBMFYSA-N 1 0 380.432 2.000 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccsc2S1(=O)=O ZINC000291326282 532900172 /nfs/dbraw/zinc/90/01/72/532900172.db2.gz TUMTWLHQCNFIIO-XFMPKHEZSA-N 1 0 383.539 2.233 20 0 GEADRO CSc1cc(Br)ccc1C[NH2+]C1CCN(c2nnnn2C)CC1 ZINC000363691060 532900189 /nfs/dbraw/zinc/90/01/89/532900189.db2.gz JNACAWRAYJBKFS-UHFFFAOYSA-N 1 0 397.346 2.453 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000291334420 532900336 /nfs/dbraw/zinc/90/03/36/532900336.db2.gz NWWDSLWSGAQTBD-GFCCVEGCSA-N 1 0 383.290 2.082 20 0 GEADRO CCc1n[nH]c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1Br ZINC000363743011 532900479 /nfs/dbraw/zinc/90/04/79/532900479.db2.gz ALXZJKKTIKCNJH-UHFFFAOYSA-N 1 0 398.349 2.023 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(Cl)c1 ZINC000363939930 532901981 /nfs/dbraw/zinc/90/19/81/532901981.db2.gz PRVYIPSHXRRWLB-INIZCTEOSA-N 1 0 385.961 2.437 20 0 GEADRO C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c2ccsc2S1(=O)=O ZINC000291358355 532900754 /nfs/dbraw/zinc/90/07/54/532900754.db2.gz WWNVEYQDMDWDLU-GUTXKFCHSA-N 1 0 385.555 2.338 20 0 GEADRO COC(=O)C1(CS(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000291630006 532905339 /nfs/dbraw/zinc/90/53/39/532905339.db2.gz GFKSOFPCPUIRLJ-CQSZACIVSA-N 1 0 386.539 2.148 20 0 GEADRO O=C(c1ccc(Cl)cc1Cl)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000364267300 532905581 /nfs/dbraw/zinc/90/55/81/532905581.db2.gz YNBCDVBMHVGCEA-ZDUSSCGKSA-N 1 0 391.320 2.375 20 0 GEADRO Cc1csc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000276880769 532902797 /nfs/dbraw/zinc/90/27/97/532902797.db2.gz KXPQSGKOFSSOAZ-GFCCVEGCSA-N 1 0 378.947 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532904666 /nfs/dbraw/zinc/90/46/66/532904666.db2.gz YAKSADXFNUJRJQ-CYBMUJFWSA-N 1 0 397.317 2.424 20 0 GEADRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000276971152 532904822 /nfs/dbraw/zinc/90/48/22/532904822.db2.gz FJYJQLLLRBFAJN-ZDUSSCGKSA-N 1 0 387.933 2.275 20 0 GEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)COc3cccc(Br)c3)C2)CC1 ZINC000364209854 532904856 /nfs/dbraw/zinc/90/48/56/532904856.db2.gz XTVQQAQVXVIREZ-HNNXBMFYSA-N 1 0 396.329 2.113 20 0 GEADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000277013698 532905702 /nfs/dbraw/zinc/90/57/02/532905702.db2.gz ACOVBRUJGLZLGG-GFCCVEGCSA-N 1 0 386.265 2.469 20 0 GEADRO Cc1csc2nc(C)nc(N3CCC([NH2+][C@H]4CCS(=O)(=O)C4)CC3)c12 ZINC000364292869 532905893 /nfs/dbraw/zinc/90/58/93/532905893.db2.gz QTBPQDUNIROYHM-AWEZNQCLSA-N 1 0 380.539 2.054 20 0 GEADRO CC1CC[NH+](CCNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000277024555 532906335 /nfs/dbraw/zinc/90/63/35/532906335.db2.gz NDUBZXDKXDGMCC-UHFFFAOYSA-N 1 0 387.933 2.275 20 0 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GEADRO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000368428946 532932319 /nfs/dbraw/zinc/93/23/19/532932319.db2.gz JVXRCQVNBJXYSI-CYBMUJFWSA-N 1 0 379.551 2.019 20 0 GEADRO C[C@@H]1CCN(C(=O)c2cccn3c(I)cnc23)[C@@H](C[NH3+])C1 ZINC000293683847 532930288 /nfs/dbraw/zinc/93/02/88/532930288.db2.gz OEZZMSTXYNFXNN-GHMZBOCLSA-N 1 0 398.248 2.138 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)C2)C1 ZINC000368346479 532931774 /nfs/dbraw/zinc/93/17/74/532931774.db2.gz CXHGPMGVOSZOER-SFHVURJKSA-N 1 0 394.313 2.123 20 0 GEADRO COC(=O)c1cn([C@H]2CC[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)nn1 ZINC000368855774 532934853 /nfs/dbraw/zinc/93/48/53/532934853.db2.gz LZQAITAUBRSXEJ-NHYWBVRUSA-N 1 0 385.251 2.352 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(I)ccc3O)C2)C1 ZINC000293875930 532932732 /nfs/dbraw/zinc/93/27/32/532932732.db2.gz LORHEXPURUDGJJ-HNNXBMFYSA-N 1 0 386.233 2.165 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)CCc1cccc(Cl)c1 ZINC000368511890 532932876 /nfs/dbraw/zinc/93/28/76/532932876.db2.gz NVEUVGJZCXQUFU-KURKYZTESA-N 1 0 386.945 2.396 20 0 GEADRO O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@@H]2CSCCS2)CC1 ZINC000368564386 532933173 /nfs/dbraw/zinc/93/31/73/532933173.db2.gz RAYACKCACFULGY-CYBMUJFWSA-N 1 0 378.610 2.339 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000293916705 532933310 /nfs/dbraw/zinc/93/33/10/532933310.db2.gz ATIRDORFWJTWBE-CYBMUJFWSA-N 1 0 379.258 2.322 20 0 GEADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000368709529 532933799 /nfs/dbraw/zinc/93/37/99/532933799.db2.gz IAYKIPOXJQPDLL-UHFFFAOYSA-N 1 0 384.318 2.437 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369025951 532936531 /nfs/dbraw/zinc/93/65/31/532936531.db2.gz GRRKRTLSBATMDU-HUUCEWRRSA-N 1 0 382.302 2.454 20 0 GEADRO COc1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Br ZINC000369026285 532936649 /nfs/dbraw/zinc/93/66/49/532936649.db2.gz HMJUREXVRDGXTJ-KGLIPLIRSA-N 1 0 398.301 2.120 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369025948 532936669 /nfs/dbraw/zinc/93/66/69/532936669.db2.gz GRRKRTLSBATMDU-CABCVRRESA-N 1 0 382.302 2.454 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000368974372 532936269 /nfs/dbraw/zinc/93/62/69/532936269.db2.gz NQFOGRAEVQLBIW-AWEZNQCLSA-N 1 0 381.314 2.396 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369025953 532936425 /nfs/dbraw/zinc/93/64/25/532936425.db2.gz GRRKRTLSBATMDU-LSDHHAIUSA-N 1 0 382.302 2.454 20 0 GEADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369541996 532939975 /nfs/dbraw/zinc/93/99/75/532939975.db2.gz XJTHKFISIYPZGW-YPMHNXCESA-N 1 0 388.946 2.415 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000294337189 532938127 /nfs/dbraw/zinc/93/81/27/532938127.db2.gz AJUCTMOPZUESQG-GFCCVEGCSA-N 1 0 378.274 2.101 20 0 GEADRO COc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1Br ZINC000369329464 532938550 /nfs/dbraw/zinc/93/85/50/532938550.db2.gz GXQZUBVIBLANMT-JGPRNRPPSA-N 1 0 375.288 2.101 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(Br)cc3O)CC2)C1 ZINC000369340916 532938625 /nfs/dbraw/zinc/93/86/25/532938625.db2.gz BCRLGGADSOJWJN-AWEZNQCLSA-N 1 0 382.302 2.007 20 0 GEADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(Br)s3)C2)CC1 ZINC000369334237 532938649 /nfs/dbraw/zinc/93/86/49/532938649.db2.gz DIKNGGXMFNBQOJ-LBPRGKRZSA-N 1 0 386.359 2.338 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000369497919 532939523 /nfs/dbraw/zinc/93/95/23/532939523.db2.gz GFRZGWPFZVOTJF-GFCCVEGCSA-N 1 0 384.249 2.223 20 0 GEADRO Cc1nc2c(s1)CCC[C@H]2CN(C)CC(=O)NC(=O)NCC(F)(F)F ZINC000369531660 532939732 /nfs/dbraw/zinc/93/97/32/532939732.db2.gz LLZXESHEZYIAGT-JTQLQIEISA-N 1 0 378.420 2.191 20 0 GEADRO O=C(c1ccc2nccn2c1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000369531847 532939754 /nfs/dbraw/zinc/93/97/54/532939754.db2.gz LXERGZXKRFOPML-INIZCTEOSA-N 1 0 399.248 2.410 20 0 GEADRO COc1nc(N2CCC(CC[NH+]3CCOCC3)CC2)ncc1Br ZINC000370347517 532943090 /nfs/dbraw/zinc/94/30/90/532943090.db2.gz UYXXJJGLHFVSCA-UHFFFAOYSA-N 1 0 385.306 2.186 20 0 GEADRO C[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cc(Br)ccc1F ZINC000369829883 532940969 /nfs/dbraw/zinc/94/09/69/532940969.db2.gz FJTUCGDQLCLDGI-JTQLQIEISA-N 1 0 383.269 2.431 20 0 GEADRO COc1cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000369962465 532941585 /nfs/dbraw/zinc/94/15/85/532941585.db2.gz YLXJRLISZXDYPA-GFCCVEGCSA-N 1 0 389.315 2.317 20 0 GEADRO O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)Nc1cccc(I)c1 ZINC000370095748 532942223 /nfs/dbraw/zinc/94/22/23/532942223.db2.gz XQIYEPAIMNJFFG-OAHLLOKOSA-N 1 0 386.233 2.077 20 0 GEADRO Cn1nc(Br)cc1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000370113142 532942291 /nfs/dbraw/zinc/94/22/91/532942291.db2.gz PUMAZHGZGUMJNF-LLVKDONJSA-N 1 0 379.258 2.152 20 0 GEADRO CNC(=O)Cc1noc(C[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)n1 ZINC000370121740 532942331 /nfs/dbraw/zinc/94/23/31/532942331.db2.gz VENGHZFXKTWTAB-CQSZACIVSA-N 1 0 393.285 2.328 20 0 GEADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000370160599 532942348 /nfs/dbraw/zinc/94/23/48/532942348.db2.gz KMFQRWMZXDPQBU-BLLLJJGKSA-N 1 0 375.270 2.459 20 0 GEADRO O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000370678677 532944770 /nfs/dbraw/zinc/94/47/70/532944770.db2.gz FEUHSSUFXJIGDY-HUUCEWRRSA-N 1 0 392.297 2.452 20 0 GEADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccc(F)cc2Br)C1=O ZINC000370721230 532945117 /nfs/dbraw/zinc/94/51/17/532945117.db2.gz WJLOCXZKBQRKFX-ZBEGNZNMSA-N 1 0 384.249 2.398 20 0 GEADRO CC[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1noc(-c2cccc(Br)c2)n1 ZINC000370773768 532945260 /nfs/dbraw/zinc/94/52/60/532945260.db2.gz PGHHUHQXURCFBX-QWHCGFSZSA-N 1 0 395.257 2.055 20 0 GEADRO O=C(Nc1cccnc1Br)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370754742 532945282 /nfs/dbraw/zinc/94/52/82/532945282.db2.gz UDMPKVDYMDYGHT-CHWSQXEVSA-N 1 0 383.290 2.297 20 0 GEADRO O=C(COc1ccc(Br)cc1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370760702 532945287 /nfs/dbraw/zinc/94/52/87/532945287.db2.gz SQUGPLKEWSBGLV-PBHICJAKSA-N 1 0 397.313 2.445 20 0 GEADRO O=C(NC[C@]1(N2CCOCC2)CCCOC1)c1ccc(Br)cc1 ZINC000370554574 532944166 /nfs/dbraw/zinc/94/41/66/532944166.db2.gz CQHSYPXUEGELPO-QGZVFWFLSA-N 1 0 383.286 2.060 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371015910 532946533 /nfs/dbraw/zinc/94/65/33/532946533.db2.gz CALMYSTYWROVBS-MNOVXSKESA-N 1 0 378.466 2.349 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)C[C@@H]1[NH+](C)C ZINC000371355615 532947735 /nfs/dbraw/zinc/94/77/35/532947735.db2.gz QQZSPEWVXBNIPD-IJEWVQPXSA-N 1 0 381.567 2.104 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000371373899 532947907 /nfs/dbraw/zinc/94/79/07/532947907.db2.gz CGTMGNRPPXSPDR-NVXWUHKLSA-N 1 0 385.961 2.295 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCc2ccc(Br)cc21 ZINC000371608907 532948962 /nfs/dbraw/zinc/94/89/62/532948962.db2.gz VESRLAWEICVTEG-HUUCEWRRSA-N 1 0 392.297 2.081 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000371054624 532946762 /nfs/dbraw/zinc/94/67/62/532946762.db2.gz NUKFZQBKCLKBQT-OAHLLOKOSA-N 1 0 389.924 2.021 20 0 GEADRO Cc1nc(-c2ccc(CCNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)s2)cs1 ZINC000371250725 532947407 /nfs/dbraw/zinc/94/74/07/532947407.db2.gz CBTPDTRQNFVJEX-INIZCTEOSA-N 1 0 376.551 2.229 20 0 GEADRO Cn1ccnc1CNC(=O)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000371731762 532949543 /nfs/dbraw/zinc/94/95/43/532949543.db2.gz FTCKGJLXNFERIG-UHFFFAOYSA-N 1 0 381.278 2.001 20 0 GEADRO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000371854272 532949644 /nfs/dbraw/zinc/94/96/44/532949644.db2.gz WKPHAWLOOZGTJO-HNNXBMFYSA-N 1 0 382.917 2.359 20 0 GEADRO C[C@@H](C(=O)NCC(F)(F)F)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000371729183 532949444 /nfs/dbraw/zinc/94/94/44/532949444.db2.gz YUBJLOXBLCRJRT-JTQLQIEISA-N 1 0 397.239 2.425 20 0 GEADRO CC[NH+](CC)CCNC(=O)c1ccc(OC)c(I)c1 ZINC000013617324 221277023 /nfs/dbraw/zinc/27/70/23/221277023.db2.gz RWGKBVGXDDWKEJ-UHFFFAOYSA-N 1 0 376.238 2.371 20 0 GEADRO CN1C(=O)COc2ccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000096140350 136184284 /nfs/dbraw/zinc/18/42/84/136184284.db2.gz JNFMAQJYGVSXMP-KRWDZBQOSA-N 1 0 380.448 2.438 20 0 GEADRO CS(=O)(=O)N1CCCc2cc(C(=O)N3CC[NH+](C4CCCC4)CC3)ccc21 ZINC000097151228 136188246 /nfs/dbraw/zinc/18/82/46/136188246.db2.gz YYUMQHVMIOCRHX-UHFFFAOYSA-N 1 0 391.537 2.099 20 0 GEADRO COCCN1C(=O)C[C@@H](C[NH2+]Cc2sccc2C)[C@@H]1c1cnn(C)c1C ZINC000275213551 570688744 /nfs/dbraw/zinc/68/87/44/570688744.db2.gz BEYGHYPQRZJDSL-HNAYVOBHSA-N 1 0 376.526 2.424 20 0 GEADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000736902547 598864130 /nfs/dbraw/zinc/86/41/30/598864130.db2.gz VHDWDBACIRCVHQ-PPSBMQLTSA-N 1 0 398.511 2.277 20 0 GEADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736266859 598868522 /nfs/dbraw/zinc/86/85/22/598868522.db2.gz KPSMVJYJZZBGTK-IAGOWNOFSA-N 1 0 398.511 2.359 20 0 GEADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736267149 598871239 /nfs/dbraw/zinc/87/12/39/598871239.db2.gz MBQKBUIMIMKGCE-DLBZAZTESA-N 1 0 397.527 2.392 20 0 GEADRO COC(=O)[C@@H](NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736894729 598884578 /nfs/dbraw/zinc/88/45/78/598884578.db2.gz HTLYYWQOWPUOIO-KXBFYZLASA-N 1 0 394.479 2.191 20 0 GEADRO COc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)N2CCOCC2)cc1 ZINC000737076870 598891976 /nfs/dbraw/zinc/89/19/76/598891976.db2.gz SJIKCYRFUQVGTD-HXUWFJFHSA-N 1 0 394.479 2.038 20 0 GEADRO CC(C)[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735699947 598907251 /nfs/dbraw/zinc/90/72/51/598907251.db2.gz DOVSAJRVAAXICL-INIZCTEOSA-N 1 0 385.516 2.376 20 0 GEADRO C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000736792466 598916905 /nfs/dbraw/zinc/91/69/05/598916905.db2.gz DUJOCZGCYOQPPF-RTBURBONSA-N 1 0 379.464 2.096 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[NH+](C2CCC2)CC1 ZINC000735550281 598945076 /nfs/dbraw/zinc/94/50/76/598945076.db2.gz HTEZYFPXASUGHL-GFCCVEGCSA-N 1 0 389.891 2.017 20 0 GEADRO CCC(CC)[C@@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)[NH+]1CCOCC1 ZINC000736338273 598956284 /nfs/dbraw/zinc/95/62/84/598956284.db2.gz RNKIQPOCVROJDE-QGZVFWFLSA-N 1 0 396.499 2.359 20 0 GEADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000737074667 598961129 /nfs/dbraw/zinc/96/11/29/598961129.db2.gz XYBSEDDCFHHDSI-ACJLOTCBSA-N 1 0 378.436 2.331 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000737032601 598983147 /nfs/dbraw/zinc/98/31/47/598983147.db2.gz MNTWHKGSMDBUFW-UHFFFAOYSA-N 1 0 394.479 2.466 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000737032481 598984980 /nfs/dbraw/zinc/98/49/80/598984980.db2.gz LFPRNTIAGUIHJZ-OAHLLOKOSA-N 1 0 395.467 2.083 20 0 GEADRO CCC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736471789 598989358 /nfs/dbraw/zinc/98/93/58/598989358.db2.gz WJYAQLJJKYZNRJ-NILFDRSVSA-N 1 0 390.513 2.392 20 0 GEADRO CCC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736470440 598989631 /nfs/dbraw/zinc/98/96/31/598989631.db2.gz POTQQIONJNJKNC-NXHRZFHOSA-N 1 0 384.484 2.331 20 0 GEADRO CCO[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)C1(C)C ZINC000736615884 598993560 /nfs/dbraw/zinc/99/35/60/598993560.db2.gz YSGPLSARVFTURB-SJORKVTESA-N 1 0 375.473 2.390 20 0 GEADRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736612236 598994397 /nfs/dbraw/zinc/99/43/97/598994397.db2.gz MJKOWHVIYNTPCG-ZWKOTPCHSA-N 1 0 398.511 2.153 20 0 GEADRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736612234 598994400 /nfs/dbraw/zinc/99/44/00/598994400.db2.gz MJKOWHVIYNTPCG-QZTJIDSGSA-N 1 0 398.511 2.153 20 0 GEADRO C[NH+](C)Cc1cc(CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)ccc1F ZINC000736772017 599033045 /nfs/dbraw/zinc/03/30/45/599033045.db2.gz UAFBYLZAQXYJFO-NTMALXAHSA-N 1 0 380.427 2.397 20 0 GEADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000735732919 599033855 /nfs/dbraw/zinc/03/38/55/599033855.db2.gz CQCQZMNRXGRZQJ-CRAIPNDOSA-N 1 0 386.500 2.070 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(Cl)c(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC000736617659 599063394 /nfs/dbraw/zinc/06/33/94/599063394.db2.gz ZVMKFVJOWPNKDG-GXTWGEPZSA-N 1 0 379.896 2.464 20 0 GEADRO COc1cccc(C2CC[NH+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737130869 599071340 /nfs/dbraw/zinc/07/13/40/599071340.db2.gz SXSRIGTXRSFAHY-IBGZPJMESA-N 1 0 392.463 2.281 20 0 GEADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000737739140 599074165 /nfs/dbraw/zinc/07/41/65/599074165.db2.gz IGRRAUDCRGCXLG-IBGZPJMESA-N 1 0 394.454 2.487 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736294068 599077563 /nfs/dbraw/zinc/07/75/63/599077563.db2.gz WAYKIIUQMWZEND-QAPCUYQASA-N 1 0 386.500 2.214 20 0 GEADRO COc1cc(F)ccc1N1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000737053692 599080785 /nfs/dbraw/zinc/08/07/85/599080785.db2.gz KLYDRVNMYYCTRQ-UHFFFAOYSA-N 1 0 398.442 2.215 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000738384169 599081595 /nfs/dbraw/zinc/08/15/95/599081595.db2.gz CZJJWQHZTGOXIZ-HKUYNNGSSA-N 1 0 397.504 2.397 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000737546125 599081695 /nfs/dbraw/zinc/08/16/95/599081695.db2.gz CTMFQYFJHXTBDR-TZMCWYRMSA-N 1 0 383.456 2.114 20 0 GEADRO NC(=O)[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735404 599094144 /nfs/dbraw/zinc/09/41/44/599094144.db2.gz CUMQBQLJAQYKPO-HNNXBMFYSA-N 1 0 390.369 2.244 20 0 GEADRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737087296 599095850 /nfs/dbraw/zinc/09/58/50/599095850.db2.gz MPWKEBFTTODMSM-ACJLOTCBSA-N 1 0 380.452 2.013 20 0 GEADRO CC(C)COc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735844825 599097410 /nfs/dbraw/zinc/09/74/10/599097410.db2.gz OFMSTDYMOJCGTJ-IBGZPJMESA-N 1 0 394.479 2.260 20 0 GEADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000736616621 599103867 /nfs/dbraw/zinc/10/38/67/599103867.db2.gz UEDQBMSCNUODGF-RHSMWYFYSA-N 1 0 387.488 2.125 20 0 GEADRO COc1cccc(CCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000737131495 599131649 /nfs/dbraw/zinc/13/16/49/599131649.db2.gz PXNRAHYHLCHDJP-UHFFFAOYSA-N 1 0 379.468 2.025 20 0 GEADRO COc1cccc(CCC[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1 ZINC000737132114 599131217 /nfs/dbraw/zinc/13/12/17/599131217.db2.gz WAKMRKVYFZDYEC-UHFFFAOYSA-N 1 0 379.468 2.025 20 0 GEADRO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCN1C ZINC000736231788 599135350 /nfs/dbraw/zinc/13/53/50/599135350.db2.gz XTAUFILVROBSLC-OCCSQVGLSA-N 1 0 391.907 2.263 20 0 GEADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(F)(F)F ZINC000738383960 599177638 /nfs/dbraw/zinc/17/76/38/599177638.db2.gz YFPOQKBGWIHORT-HOTGVXAUSA-N 1 0 377.370 2.491 20 0 GEADRO CC(C)(C)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735595524 599179848 /nfs/dbraw/zinc/17/98/48/599179848.db2.gz GHLBHORFTJUKNQ-MRXNPFEDSA-N 1 0 382.468 2.257 20 0 GEADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1Cc2ccccc21 ZINC000736768205 599189045 /nfs/dbraw/zinc/18/90/45/599189045.db2.gz YAYRHDRJCJNNBK-IBGZPJMESA-N 1 0 376.464 2.097 20 0 GEADRO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821180265 599204473 /nfs/dbraw/zinc/20/44/73/599204473.db2.gz AVWQUCLGFWVZJT-APWZRJJASA-N 1 0 397.527 2.026 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C1 ZINC000821182267 599209812 /nfs/dbraw/zinc/20/98/12/599209812.db2.gz UAWOIRMNVDJSJM-CQSZACIVSA-N 1 0 383.456 2.115 20 0 GEADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821596743 599215876 /nfs/dbraw/zinc/21/58/76/599215876.db2.gz TXXUQMUATIUGGD-KRWDZBQOSA-N 1 0 376.464 2.461 20 0 GEADRO CC[NH+](CC)Cc1ccc(C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736531155 599218660 /nfs/dbraw/zinc/21/86/60/599218660.db2.gz RUBDFYRNMOTDAC-UHFFFAOYSA-N 1 0 384.440 2.110 20 0 GEADRO O=C(COc1ccccc1-c1nn[nH]n1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000737932267 599221357 /nfs/dbraw/zinc/22/13/57/599221357.db2.gz VZKDFIODHQCSHX-MRXNPFEDSA-N 1 0 379.420 2.063 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000737546068 599227671 /nfs/dbraw/zinc/22/76/71/599227671.db2.gz CBZFFVXQWACPAK-HIFRSBDPSA-N 1 0 395.467 2.258 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000737546073 599227909 /nfs/dbraw/zinc/22/79/09/599227909.db2.gz CBZFFVXQWACPAK-ZFWWWQNUSA-N 1 0 395.467 2.258 20 0 GEADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000737941483 599250244 /nfs/dbraw/zinc/25/02/44/599250244.db2.gz CPILZOVQHBTERZ-OAHLLOKOSA-N 1 0 386.525 2.293 20 0 GEADRO Cc1c(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cccc1-c1nn[nH]n1 ZINC000822089511 607293341 /nfs/dbraw/zinc/29/33/41/607293341.db2.gz DARVVAIVYMIRSN-ZWKOTPCHSA-N 1 0 399.499 2.065 20 0 GEADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N1CCN(c2cc[nH+]cc2)CC1 ZINC000737659677 599260778 /nfs/dbraw/zinc/26/07/78/599260778.db2.gz LSVGRYJKXTXZDS-UHFFFAOYSA-N 1 0 394.389 2.415 20 0 GEADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736237350 599271101 /nfs/dbraw/zinc/27/11/01/599271101.db2.gz PXWKFYFNNHQLDE-DAYGRLMNSA-N 1 0 383.500 2.142 20 0 GEADRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000737627630 599289821 /nfs/dbraw/zinc/28/98/21/599289821.db2.gz LCBOFAZZTTUUQN-OAHLLOKOSA-N 1 0 391.439 2.030 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000823766905 607334926 /nfs/dbraw/zinc/33/49/26/607334926.db2.gz LOOIQWBHTTZKPY-AWEZNQCLSA-N 1 0 385.497 2.049 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000823766906 607335161 /nfs/dbraw/zinc/33/51/61/607335161.db2.gz LOOIQWBHTTZKPY-CQSZACIVSA-N 1 0 385.497 2.049 20 0 GEADRO CCCC[N@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)[C@@H](C)CC ZINC000736456873 598232654 /nfs/dbraw/zinc/23/26/54/598232654.db2.gz LZELERVBBMARAG-VBKZILBWSA-N 1 0 399.499 2.492 20 0 GEADRO CCCC[NH+](CCCC)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736456464 598233077 /nfs/dbraw/zinc/23/30/77/598233077.db2.gz IOMPGUQMLNUMJQ-FQEVSTJZSA-N 1 0 399.499 2.493 20 0 GEADRO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736278702 598250271 /nfs/dbraw/zinc/25/02/71/598250271.db2.gz UPMVHVKQCBBLHV-INIZCTEOSA-N 1 0 398.511 2.357 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)Nc1ccccc1 ZINC000737842942 598251944 /nfs/dbraw/zinc/25/19/44/598251944.db2.gz FWLOPDYOITZCMM-UHFFFAOYSA-N 1 0 377.452 2.018 20 0 GEADRO CCOc1ccc(OCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000736650208 598252889 /nfs/dbraw/zinc/25/28/89/598252889.db2.gz CBYXJWJXIOZVNZ-UHFFFAOYSA-N 1 0 394.479 2.466 20 0 GEADRO O=C(CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)Nc1cccc(F)c1 ZINC000737844803 598253969 /nfs/dbraw/zinc/25/39/69/598253969.db2.gz WMSRKRXNVQIRKI-UHFFFAOYSA-N 1 0 395.442 2.157 20 0 GEADRO C[C@H](C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736235454 598259718 /nfs/dbraw/zinc/25/97/18/598259718.db2.gz BRCXXJHSVLQSDX-BZUAXINKSA-N 1 0 398.511 2.498 20 0 GEADRO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000735665417 598285145 /nfs/dbraw/zinc/28/51/45/598285145.db2.gz WAPQLJJXMZYCLL-OAHLLOKOSA-N 1 0 392.471 2.028 20 0 GEADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000738101499 598318332 /nfs/dbraw/zinc/31/83/32/598318332.db2.gz YQOSIAQICXAZPD-INIZCTEOSA-N 1 0 399.430 2.235 20 0 GEADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000736230349 598318661 /nfs/dbraw/zinc/31/86/61/598318661.db2.gz SMQZCJHJMRVKMY-KBPBESRZSA-N 1 0 389.479 2.173 20 0 GEADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000736757828 598323916 /nfs/dbraw/zinc/32/39/16/598323916.db2.gz FFCJFNWZIDVFPT-QGZVFWFLSA-N 1 0 383.431 2.108 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1cccs1 ZINC000736757798 598323998 /nfs/dbraw/zinc/32/39/98/598323998.db2.gz DIYHDUFJKLVHEB-AWEZNQCLSA-N 1 0 389.460 2.169 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000736764571 598326022 /nfs/dbraw/zinc/32/60/22/598326022.db2.gz RTLKXCAVBYAFLX-QGZVFWFLSA-N 1 0 383.431 2.108 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cccc(F)c1F ZINC000736766877 598327272 /nfs/dbraw/zinc/32/72/72/598327272.db2.gz HJTFBCYJOKWUOC-UHFFFAOYSA-N 1 0 386.406 2.349 20 0 GEADRO O=C(NCCC[NH2+]C1CCCCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000738065395 598329732 /nfs/dbraw/zinc/32/97/32/598329732.db2.gz JSUKKIYBQJWKLM-UHFFFAOYSA-N 1 0 375.452 2.117 20 0 GEADRO Cc1ccc(N2CCC[C@@H]([N@H+](C)Cc3ccc(F)cc3-c3nn[nH]n3)C2)nn1 ZINC000737352096 598341522 /nfs/dbraw/zinc/34/15/22/598341522.db2.gz OKBJQLOMHWVJIP-MRXNPFEDSA-N 1 0 382.447 2.205 20 0 GEADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000736821265 598350065 /nfs/dbraw/zinc/35/00/65/598350065.db2.gz BMQKCLWNRYKOFR-KRWDZBQOSA-N 1 0 384.509 2.434 20 0 GEADRO CCn1cnnc1C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736721599 598357215 /nfs/dbraw/zinc/35/72/15/598357215.db2.gz HMBRKJCOUNKVQC-UHFFFAOYSA-N 1 0 382.472 2.127 20 0 GEADRO c1ccc2oc(N3CC[NH+](CCOc4ccccc4-c4nn[nH]n4)CC3)nc2c1 ZINC000738427370 598365582 /nfs/dbraw/zinc/36/55/82/598365582.db2.gz VMZVBEMBDYGLMB-UHFFFAOYSA-N 1 0 391.435 2.209 20 0 GEADRO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737510746 598368431 /nfs/dbraw/zinc/36/84/31/598368431.db2.gz NABFENKVJFJDPX-RHSMWYFYSA-N 1 0 394.483 2.381 20 0 GEADRO CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)Nc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000735940992 598374769 /nfs/dbraw/zinc/37/47/69/598374769.db2.gz URUYAWBMUXQTCD-UHFFFAOYSA-N 1 0 394.483 2.111 20 0 GEADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)[C@@H]1CCOC1 ZINC000736793528 598406517 /nfs/dbraw/zinc/40/65/17/598406517.db2.gz YRRVQMQBNSQUIS-GFCCVEGCSA-N 1 0 390.513 2.246 20 0 GEADRO Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737471704 598406942 /nfs/dbraw/zinc/40/69/42/598406942.db2.gz SGSDJPGZCNVLJT-DOMZBBRYSA-N 1 0 388.497 2.373 20 0 GEADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000735551389 598422869 /nfs/dbraw/zinc/42/28/69/598422869.db2.gz QYRMQUAIXWZYDV-TZMCWYRMSA-N 1 0 389.891 2.017 20 0 GEADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000735904834 598425419 /nfs/dbraw/zinc/42/54/19/598425419.db2.gz DAHUVFLJBJIWGB-OAHLLOKOSA-N 1 0 385.472 2.356 20 0 GEADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736559112 598454972 /nfs/dbraw/zinc/45/49/72/598454972.db2.gz VVERKZZTODMMKD-UHFFFAOYSA-N 1 0 393.495 2.389 20 0 GEADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000737996847 598465441 /nfs/dbraw/zinc/46/54/41/598465441.db2.gz RBLPRGVBADNTSQ-GOSISDBHSA-N 1 0 377.452 2.219 20 0 GEADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736247449 598465945 /nfs/dbraw/zinc/46/59/45/598465945.db2.gz DEDFBYKDKLQCKU-GPMSIDNRSA-N 1 0 397.527 2.215 20 0 GEADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCCOC1 ZINC000736791341 598469899 /nfs/dbraw/zinc/46/98/99/598469899.db2.gz FNFQCOUMGNHFDT-LBPRGKRZSA-N 1 0 378.864 2.207 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000736184303 598500937 /nfs/dbraw/zinc/50/09/37/598500937.db2.gz YCUCRWGJPIUFGJ-HZPDHXFCSA-N 1 0 384.484 2.111 20 0 GEADRO COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737120706 598520044 /nfs/dbraw/zinc/52/00/44/598520044.db2.gz SJLOCPKRDDUFKB-CYBMUJFWSA-N 1 0 390.451 2.057 20 0 GEADRO c1coc([C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)c1 ZINC000738427477 598520722 /nfs/dbraw/zinc/52/07/22/598520722.db2.gz WNZJEQMBPRCBDB-DYVFJYSZSA-N 1 0 376.424 2.077 20 0 GEADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737285785 598525124 /nfs/dbraw/zinc/52/51/24/598525124.db2.gz VBNQHDULMSBBRC-DOMZBBRYSA-N 1 0 382.472 2.310 20 0 GEADRO COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737146651 598525905 /nfs/dbraw/zinc/52/59/05/598525905.db2.gz IOYPOLWGMOIGBB-LPHOPBHVSA-N 1 0 395.463 2.452 20 0 GEADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)C2 ZINC000738428650 598527023 /nfs/dbraw/zinc/52/70/23/598527023.db2.gz QASORSGTNRQDEL-ZVZYQTTQSA-N 1 0 378.484 2.421 20 0 GEADRO Clc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1Cl ZINC000737573235 598528217 /nfs/dbraw/zinc/52/82/17/598528217.db2.gz CSGKHWMGTYAKLN-VIFPVBQESA-N 1 0 379.255 2.202 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736573253 598556031 /nfs/dbraw/zinc/55/60/31/598556031.db2.gz YOEAHLNRNHBCDC-OAHLLOKOSA-N 1 0 396.451 2.253 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736565977 598557681 /nfs/dbraw/zinc/55/76/81/598557681.db2.gz VTLGPUOASPESPJ-CQSZACIVSA-N 1 0 396.451 2.110 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736532349 598560470 /nfs/dbraw/zinc/56/04/70/598560470.db2.gz BDBRKJBWCNXFSI-SNVBAGLBSA-N 1 0 383.403 2.320 20 0 GEADRO Fc1ccc(C[N@@H+]2CCCN(c3nc4ccccn4c3-c3nn[nH]n3)CC2)cc1 ZINC000737648525 598566619 /nfs/dbraw/zinc/56/66/19/598566619.db2.gz KNUKETLNKGIWTH-UHFFFAOYSA-N 1 0 392.442 2.366 20 0 GEADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000736179301 598569002 /nfs/dbraw/zinc/56/90/02/598569002.db2.gz CJIFCTKIOVGMLF-GOEBONIOSA-N 1 0 392.463 2.154 20 0 GEADRO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000736761839 598574422 /nfs/dbraw/zinc/57/44/22/598574422.db2.gz URWGWCQDYPPBRF-GOSISDBHSA-N 1 0 397.527 2.216 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCCCC1 ZINC000736008206 598594916 /nfs/dbraw/zinc/59/49/16/598594916.db2.gz IWLFWGBDBVTIET-LPHOPBHVSA-N 1 0 397.527 2.074 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C)CC1 ZINC000736276540 598596577 /nfs/dbraw/zinc/59/65/77/598596577.db2.gz IPIXVLRMUOIDQZ-LPHOPBHVSA-N 1 0 397.527 2.072 20 0 GEADRO C[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C)CC1 ZINC000736276539 598596584 /nfs/dbraw/zinc/59/65/84/598596584.db2.gz IPIXVLRMUOIDQZ-APWZRJJASA-N 1 0 397.527 2.072 20 0 GEADRO CC(C)(CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1 ZINC000735666090 598604445 /nfs/dbraw/zinc/60/44/45/598604445.db2.gz MWNHUQGOVWMYLU-SFHVURJKSA-N 1 0 397.527 2.216 20 0 GEADRO CCCC[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736457615 598605742 /nfs/dbraw/zinc/60/57/42/598605742.db2.gz QBYQSUAETKGWQZ-LJQANCHMSA-N 1 0 397.527 2.216 20 0 GEADRO CC(C)(C)C[N@H+](CCO)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000735604868 598616392 /nfs/dbraw/zinc/61/63/92/598616392.db2.gz PSHXCGAZJDBZOF-UHFFFAOYSA-N 1 0 392.529 2.086 20 0 GEADRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000735873226 598620797 /nfs/dbraw/zinc/62/07/97/598620797.db2.gz CWDXPNHPMMDKOQ-AWEZNQCLSA-N 1 0 382.390 2.240 20 0 GEADRO CC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736541468 598621449 /nfs/dbraw/zinc/62/14/49/598621449.db2.gz HIYHXECMRUMUFR-LJQANCHMSA-N 1 0 392.463 2.373 20 0 GEADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)COc2ccccc2-c2nn[nH]n2)c1 ZINC000735856155 598624964 /nfs/dbraw/zinc/62/49/64/598624964.db2.gz FSIPWUPFNVTGGU-UHFFFAOYSA-N 1 0 394.479 2.402 20 0 GEADRO CC(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735496649 598626534 /nfs/dbraw/zinc/62/65/34/598626534.db2.gz DWHUEGAENUKKCP-UHFFFAOYSA-N 1 0 392.463 2.273 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000737833455 598653964 /nfs/dbraw/zinc/65/39/64/598653964.db2.gz SFGQYOABWLLMTJ-QZTJIDSGSA-N 1 0 384.484 2.159 20 0 GEADRO C[NH+](C)CCCOc1cccc(NC(=O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736767531 598670757 /nfs/dbraw/zinc/67/07/57/598670757.db2.gz QSJMJUVLAQQDBE-UHFFFAOYSA-N 1 0 396.451 2.215 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(OCc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000736849710 598685191 /nfs/dbraw/zinc/68/51/91/598685191.db2.gz WCMHFNIFUIVGRI-OAHLLOKOSA-N 1 0 392.463 2.127 20 0 GEADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000737833637 598685615 /nfs/dbraw/zinc/68/56/15/598685615.db2.gz ZBLACTRMHXTEBK-IRXDYDNUSA-N 1 0 384.484 2.159 20 0 GEADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736861104 598700811 /nfs/dbraw/zinc/70/08/11/598700811.db2.gz YNXNXVDPBUTMOS-INIZCTEOSA-N 1 0 378.436 2.483 20 0 GEADRO O=c1[nH]c2ccccc2cc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738371227 598702597 /nfs/dbraw/zinc/70/25/97/598702597.db2.gz HPFGDUGVPLHFKH-UHFFFAOYSA-N 1 0 387.447 2.443 20 0 GEADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H](C)O1 ZINC000736407405 598706879 /nfs/dbraw/zinc/70/68/79/598706879.db2.gz GSTAVSQAWJLCIY-WCQYABFASA-N 1 0 378.864 2.348 20 0 GEADRO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000738302365 598707615 /nfs/dbraw/zinc/70/76/15/598707615.db2.gz LABXIHYFZVFHHS-KRWDZBQOSA-N 1 0 384.484 2.113 20 0 GEADRO C[NH+]1CCC(CCNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000736846666 598727656 /nfs/dbraw/zinc/72/76/56/598727656.db2.gz ADQCHTUAFITNSO-UHFFFAOYSA-N 1 0 383.500 2.273 20 0 GEADRO CC[N@@H+]1CCC[C@@H](Nc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000736572603 598744401 /nfs/dbraw/zinc/74/44/01/598744401.db2.gz VXAQHRZVXZXVFD-LLVKDONJSA-N 1 0 389.410 2.334 20 0 GEADRO CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)Cc1cnn(C)c1 ZINC000736534912 598763299 /nfs/dbraw/zinc/76/32/99/598763299.db2.gz OIKZKNYWINKKNH-UHFFFAOYSA-N 1 0 388.863 2.104 20 0 GEADRO C[NH+]1CCC(N(C(=O)COc2cccc(-c3nn[nH]n3)c2)c2ccccc2)CC1 ZINC000736851496 598763631 /nfs/dbraw/zinc/76/36/31/598763631.db2.gz JGBIKYYODUNCNF-UHFFFAOYSA-N 1 0 392.463 2.373 20 0 GEADRO Cc1ncc(C=CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737490152 598763744 /nfs/dbraw/zinc/76/37/44/598763744.db2.gz QRWQIBWMEBWNJI-HJWRWDBZSA-N 1 0 397.508 2.235 20 0 GEADRO O=C1[C@H]([N@@H+]2CC[C@H](Nc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291567 598764463 /nfs/dbraw/zinc/76/44/63/598764463.db2.gz VHIZWJWMQJDSFO-PKOBYXMFSA-N 1 0 389.463 2.158 20 0 GEADRO O=C(CCN1CCC[C@H]1C[NH+]1CCCCC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737843676 598764501 /nfs/dbraw/zinc/76/45/01/598764501.db2.gz MGKIWBJPUCQQDY-INIZCTEOSA-N 1 0 383.500 2.146 20 0 GEADRO CCCC[N@H+](C)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[nH]n1 ZINC000736452274 598767402 /nfs/dbraw/zinc/76/74/02/598767402.db2.gz DJFNLXLSKLEMOW-UHFFFAOYSA-N 1 0 391.545 2.127 20 0 GEADRO Cc1cc(NCC[NH+]2CCSCC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737279401 598773619 /nfs/dbraw/zinc/77/36/19/598773619.db2.gz BXPKMZOJPBCSQK-UHFFFAOYSA-N 1 0 394.508 2.437 20 0 GEADRO Fc1cc(F)c2ncc(-c3nn[nH]n3)c(NCC[NH+]3CCSCC3)c2c1 ZINC000737651619 598774205 /nfs/dbraw/zinc/77/42/05/598774205.db2.gz LVFCVPZBFWQMQR-UHFFFAOYSA-N 1 0 377.424 2.154 20 0 GEADRO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000736791833 598788066 /nfs/dbraw/zinc/78/80/66/598788066.db2.gz OKVUXOOQONHOAY-IBGZPJMESA-N 1 0 393.495 2.144 20 0 GEADRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735587325 598796442 /nfs/dbraw/zinc/79/64/42/598796442.db2.gz UIEKUCOQDMUQSC-OAHLLOKOSA-N 1 0 386.500 2.120 20 0 GEADRO C[NH+](C)CCOc1ccc(CCNc2nc3c(cc2-c2nn[nH]n2)CCC3)cc1 ZINC000736769885 598797252 /nfs/dbraw/zinc/79/72/52/598797252.db2.gz VXKNAZIOPOLKEB-UHFFFAOYSA-N 1 0 393.495 2.345 20 0 GEADRO Cc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270747 598797522 /nfs/dbraw/zinc/79/75/22/598797522.db2.gz PHPVIFSVUBQLHV-CQSZACIVSA-N 1 0 376.468 2.364 20 0 GEADRO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736978780 598820548 /nfs/dbraw/zinc/82/05/48/598820548.db2.gz RPRWRPXLBJAXNL-NEPJUHHUSA-N 1 0 390.513 2.102 20 0 GEADRO C[C@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C[C@H]1[NH+](C)C ZINC000736292245 599295876 /nfs/dbraw/zinc/29/58/76/599295876.db2.gz NXTMQTUOXYZNSB-XJKSGUPXSA-N 1 0 396.451 2.061 20 0 GEADRO CC[C@@H]1CN(CCn2cccn2)CC[N@@H+]1[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736407713 599316733 /nfs/dbraw/zinc/31/67/33/599316733.db2.gz QBTPRPJDPMXWAN-QFBILLFUSA-N 1 0 380.500 2.221 20 0 GEADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000736276943 599318940 /nfs/dbraw/zinc/31/89/40/599318940.db2.gz IZOJFURINOXSRD-AWEZNQCLSA-N 1 0 396.451 2.253 20 0 GEADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000738388851 599321239 /nfs/dbraw/zinc/32/12/39/599321239.db2.gz HSRLTDRTUNPELP-IRXDYDNUSA-N 1 0 399.886 2.104 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000822505689 599330123 /nfs/dbraw/zinc/33/01/23/599330123.db2.gz RIZRIJLCJSHPFR-INIZCTEOSA-N 1 0 384.513 2.465 20 0 GEADRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc1-c1nn[nH]n1 ZINC000821808211 599398879 /nfs/dbraw/zinc/39/88/79/599398879.db2.gz BZGRVZINJPEJRA-IBGZPJMESA-N 1 0 394.479 2.038 20 0 GEADRO COc1ccc(C[NH2+]Cc2cccc(N3CCOC3=O)c2)cc1-c1nn[nH]n1 ZINC000821818011 599412949 /nfs/dbraw/zinc/41/29/49/599412949.db2.gz HLPFUHFARRBNJF-UHFFFAOYSA-N 1 0 380.408 2.122 20 0 GEADRO c1ccc2c(c1)nc(N1CCC(CC[NH+]3CCOCC3)CC1)cc2-c1nn[nH]n1 ZINC000738434010 599421529 /nfs/dbraw/zinc/42/15/29/599421529.db2.gz YOPMNOKPTIXLSG-UHFFFAOYSA-N 1 0 393.495 2.354 20 0 GEADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821065336 599438877 /nfs/dbraw/zinc/43/88/77/599438877.db2.gz IESGYKUHDRODEH-MRXNPFEDSA-N 1 0 389.479 2.460 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821099579 599439212 /nfs/dbraw/zinc/43/92/12/599439212.db2.gz JOLQPJPSHQABKM-UHFFFAOYSA-N 1 0 377.468 2.317 20 0 GEADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820979951 599443295 /nfs/dbraw/zinc/44/32/95/599443295.db2.gz KGBODELKIHWXDS-HNNXBMFYSA-N 1 0 375.452 2.070 20 0 GEADRO Clc1ccc2[nH]cc(CC[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c2c1 ZINC000822581525 599455223 /nfs/dbraw/zinc/45/52/23/599455223.db2.gz IZUSGUXQIXJTRR-NSHDSACASA-N 1 0 397.874 2.072 20 0 GEADRO Clc1ccc2[nH]cc(CC[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c2c1 ZINC000822581524 599455230 /nfs/dbraw/zinc/45/52/30/599455230.db2.gz IZUSGUXQIXJTRR-LLVKDONJSA-N 1 0 397.874 2.072 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000822336874 599474614 /nfs/dbraw/zinc/47/46/14/599474614.db2.gz SHKWRYBOICFKAE-INIZCTEOSA-N 1 0 393.495 2.201 20 0 GEADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738389414 599480092 /nfs/dbraw/zinc/48/00/92/599480092.db2.gz WVDRLZFHOJTANY-APWZRJJASA-N 1 0 397.454 2.310 20 0 GEADRO C[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)COCc1ccccc1 ZINC000736026606 599485696 /nfs/dbraw/zinc/48/56/96/599485696.db2.gz VFVQALQLBKOYTP-HNNXBMFYSA-N 1 0 377.452 2.457 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNCc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736226819 599485757 /nfs/dbraw/zinc/48/57/57/599485757.db2.gz YJFORRGSCXPPPA-GASCZTMLSA-N 1 0 382.516 2.361 20 0 GEADRO COc1ccc(CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1OC ZINC000737089867 599486390 /nfs/dbraw/zinc/48/63/90/599486390.db2.gz XZJAZDNXHBHVIS-UHFFFAOYSA-N 1 0 393.451 2.254 20 0 GEADRO CN(CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1F ZINC000736801023 599486851 /nfs/dbraw/zinc/48/68/51/599486851.db2.gz OQXXRDQBVLIUPW-UHFFFAOYSA-N 1 0 380.431 2.270 20 0 GEADRO C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820397947 599516895 /nfs/dbraw/zinc/51/68/95/599516895.db2.gz XNTCQEAGBVSOBI-CQSZACIVSA-N 1 0 380.452 2.298 20 0 GEADRO CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)C[C@@H]1C ZINC000821378169 599534277 /nfs/dbraw/zinc/53/42/77/599534277.db2.gz KIMZWEUEENZMEW-HNNXBMFYSA-N 1 0 381.484 2.270 20 0 GEADRO Cc1cc(C)c(-c2nn[nH]n2)c(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000737244537 599535094 /nfs/dbraw/zinc/53/50/94/599535094.db2.gz HGTICOOIXJTFNR-UHFFFAOYSA-N 1 0 392.511 2.137 20 0 GEADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000736798598 599535643 /nfs/dbraw/zinc/53/56/43/599535643.db2.gz BBPCDTCHRATZJH-UHFFFAOYSA-N 1 0 381.459 2.264 20 0 GEADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000736179770 599554880 /nfs/dbraw/zinc/55/48/80/599554880.db2.gz FOZOXNRRXSUNTR-CVEARBPZSA-N 1 0 384.484 2.111 20 0 GEADRO Fc1cccc(N2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)c1-c1nn[nH]n1 ZINC000822791256 599560258 /nfs/dbraw/zinc/56/02/58/599560258.db2.gz 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378.513 2.228 20 0 GEADRO C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000827795913 600826293 /nfs/dbraw/zinc/82/62/93/600826293.db2.gz GNFFTICBEUVVNT-AWEZNQCLSA-N 1 0 384.904 2.442 20 0 GEADRO Cc1oc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1C(=O)[O-] ZINC000738979140 600978063 /nfs/dbraw/zinc/97/80/63/600978063.db2.gz LCNNKKFBOHBUJJ-UHFFFAOYSA-N 1 0 379.501 2.202 20 0 GEADRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820261379 607483409 /nfs/dbraw/zinc/48/34/09/607483409.db2.gz NYYCQMCHDZPFHX-MRXNPFEDSA-N 1 0 395.486 2.306 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000830596347 601040275 /nfs/dbraw/zinc/04/02/75/601040275.db2.gz IWHKLYWZZMAPDN-SFHVURJKSA-N 1 0 393.503 2.367 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829765149 601053225 /nfs/dbraw/zinc/05/32/25/601053225.db2.gz KJBPITWQUQZZCH-GOSISDBHSA-N 1 0 391.516 2.334 20 0 GEADRO O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000823518940 607486724 /nfs/dbraw/zinc/48/67/24/607486724.db2.gz BZZMYMLEZLPGRH-JENIJYKNSA-N 1 0 392.438 2.252 20 0 GEADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823257211 607499823 /nfs/dbraw/zinc/49/98/23/607499823.db2.gz DVMCNWFVPGGFIJ-AEFFLSMTSA-N 1 0 381.484 2.025 20 0 GEADRO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)o1 ZINC000824352738 607507137 /nfs/dbraw/zinc/50/71/37/607507137.db2.gz LDEBOCYCIUMEMF-HNNXBMFYSA-N 1 0 382.472 2.079 20 0 GEADRO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826468999 607511264 /nfs/dbraw/zinc/51/12/64/607511264.db2.gz QEWWITGGQRZSJD-BZNIZROVSA-N 1 0 388.422 2.234 20 0 GEADRO COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826194424 607511862 /nfs/dbraw/zinc/51/18/62/607511862.db2.gz LKXYMFSZKQZDAB-AWEZNQCLSA-N 1 0 388.472 2.317 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000824261173 607509452 /nfs/dbraw/zinc/50/94/52/607509452.db2.gz CUOMFNMOYBHNAJ-GFCCVEGCSA-N 1 0 378.427 2.243 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824261218 607509764 /nfs/dbraw/zinc/50/97/64/607509764.db2.gz FNOVQDPFZWHWTH-OAHLLOKOSA-N 1 0 388.541 2.443 20 0 GEADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826457382 607518580 /nfs/dbraw/zinc/51/85/80/607518580.db2.gz YZKQHENVNWSRCD-UHFFFAOYSA-N 1 0 378.440 2.048 20 0 GEADRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)cc(OC)c1 ZINC000826180559 607524028 /nfs/dbraw/zinc/52/40/28/607524028.db2.gz MLXIUMQBQLSVMM-OAHLLOKOSA-N 1 0 395.467 2.355 20 0 GEADRO CC[NH+]1CCN(c2ccc(C[NH2+]CCC3CCN(C(=O)[O-])CC3)cn2)CC1 ZINC000739457883 602050098 /nfs/dbraw/zinc/05/00/98/602050098.db2.gz UPGLMCMNXKVPHG-UHFFFAOYSA-N 1 0 375.517 2.093 20 0 GEADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000826341195 607544106 /nfs/dbraw/zinc/54/41/06/607544106.db2.gz ZXPXHNHTOBYZQR-UHFFFAOYSA-N 1 0 397.483 2.409 20 0 GEADRO CCOC1CC(C[NH2+]Cc2ncc(Br)s2)(N2CCOCC2)C1 ZINC000444007218 649931785 /nfs/dbraw/zinc/93/17/85/649931785.db2.gz FIJJQWGNEMNEDT-UHFFFAOYSA-N 1 0 390.347 2.265 20 0 GEADRO COc1ccc(C[NH2+]CCOc2ncccc2C(F)(F)F)cc1-c1nn[nH]n1 ZINC000826202468 607569526 /nfs/dbraw/zinc/56/95/26/607569526.db2.gz AWOOBTXHHPLKCP-UHFFFAOYSA-N 1 0 394.357 2.458 20 0 GEADRO CC[NH+](CC)CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)CC(C)C ZINC000825412896 607640353 /nfs/dbraw/zinc/64/03/53/607640353.db2.gz WGTPXLWHBSIDSA-UHFFFAOYSA-N 1 0 391.520 2.315 20 0 GEADRO COc1cccc([C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cc2C)[NH+](C)C)c1 ZINC000826214221 607651197 /nfs/dbraw/zinc/65/11/97/607651197.db2.gz DUUQNYLXZIQIDM-GOSISDBHSA-N 1 0 380.452 2.216 20 0 GEADRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000444178576 649939055 /nfs/dbraw/zinc/93/90/55/649939055.db2.gz CJJDNLUTJNOHCB-CJNGLKHVSA-N 1 0 384.343 2.154 20 0 GEADRO COC(=O)[C@@H]1CC12CC[NH+](CC[C@@H](C)[NH+]1CCC3(C[C@@H]3C(=O)[O-])CC1)CC2 ZINC000831100680 604436999 /nfs/dbraw/zinc/43/69/99/604436999.db2.gz PAHFMWHYXNQGMA-ZACQAIPSSA-N 1 0 378.513 2.227 20 0 GEADRO COC(=O)[C@@H]1CC12CC[NH+]([C@@H](C)CC[NH+]1CCC3(C[C@H]3C(=O)[O-])CC1)CC2 ZINC000831098898 604437374 /nfs/dbraw/zinc/43/73/74/604437374.db2.gz AQGRQHSNQAAYAE-ULQDDVLXSA-N 1 0 378.513 2.227 20 0 GEADRO COc1cc(OC)cc([C@H](C(=O)[O-])[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000832040712 604480892 /nfs/dbraw/zinc/48/08/92/604480892.db2.gz IGUOPQOPAKVFPJ-HXUWFJFHSA-N 1 0 392.496 2.406 20 0 GEADRO CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000825381096 607704142 /nfs/dbraw/zinc/70/41/42/607704142.db2.gz ZLUJJZAGWZCOGQ-GOEBONIOSA-N 1 0 379.468 2.492 20 0 GEADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000824884478 607741177 /nfs/dbraw/zinc/74/11/77/607741177.db2.gz OBBOHHKQOOVFCM-ZBFHGGJFSA-N 1 0 379.468 2.320 20 0 GEADRO Cn1cc(Br)cc(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1=O ZINC000444923089 649954690 /nfs/dbraw/zinc/95/46/90/649954690.db2.gz ODDQYGPTUZILOJ-UHFFFAOYSA-N 1 0 385.306 2.391 20 0 GEADRO O=C(CN1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826410530 607750852 /nfs/dbraw/zinc/75/08/52/607750852.db2.gz PZYZLJGFLCYYII-UHFFFAOYSA-N 1 0 397.527 2.393 20 0 GEADRO CC[C@@H](CSc1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000825126671 607753632 /nfs/dbraw/zinc/75/36/32/607753632.db2.gz JMYFSCLDIQTIKK-KGLIPLIRSA-N 1 0 384.513 2.265 20 0 GEADRO C[C@H](O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824698957 607755800 /nfs/dbraw/zinc/75/58/00/607755800.db2.gz OUAZIRGDUNLDTH-GVXVVHGQSA-N 1 0 378.864 2.082 20 0 GEADRO O=C(CC[NH+]1CCC(C2CCOCC2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407195 607757099 /nfs/dbraw/zinc/75/70/99/607757099.db2.gz FBNVLTISQLHQSR-UHFFFAOYSA-N 1 0 384.484 2.334 20 0 GEADRO CCOC(=O)Nc1ccc(NC(=O)[C@@H](CC)[NH+](CC)CC)cc1-c1nn[nH]n1 ZINC000825532639 607759566 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C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820643742 606112811 /nfs/dbraw/zinc/11/28/11/606112811.db2.gz YJXGUGSPNWSOLN-UZLBHIALSA-N 1 0 390.491 2.436 20 0 GEADRO Cc1nc(SCC(=O)N(C)CCCC[NH+](C)C)c(-c2nn[nH]n2)c(C)c1C ZINC000822453639 606152123 /nfs/dbraw/zinc/15/21/23/606152123.db2.gz MSPZAXIPROFZAM-UHFFFAOYSA-N 1 0 391.545 2.079 20 0 GEADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000821613483 606162210 /nfs/dbraw/zinc/16/22/10/606162210.db2.gz PDMVGODGELKRTA-UHFFFAOYSA-N 1 0 375.396 2.111 20 0 GEADRO C[NH+](C)CCOC1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000821587476 606163369 /nfs/dbraw/zinc/16/33/69/606163369.db2.gz ZFKSOPCUHSOSMI-UHFFFAOYSA-N 1 0 384.406 2.433 20 0 GEADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](CCOC(C)C)CC1 ZINC000822334932 606164872 /nfs/dbraw/zinc/16/48/72/606164872.db2.gz HZCKDIPTRYJHHL-UHFFFAOYSA-N 1 0 395.511 2.447 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3CCCC[C@H]3C2)C[C@H]1[NH+]1CCCC1 ZINC000445716150 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2.473 20 0 GEADRO C[NH+]1CCN(CCOc2ccc(NCc3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821627015 606223211 /nfs/dbraw/zinc/22/32/11/606223211.db2.gz JHSKHEXYDOXKKP-UHFFFAOYSA-N 1 0 399.524 2.167 20 0 GEADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1c(F)cccc1Cl ZINC000820420285 606224135 /nfs/dbraw/zinc/22/41/35/606224135.db2.gz ORMMCLRYYCMHJW-NXEZZACHSA-N 1 0 376.827 2.248 20 0 GEADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000822195067 606227368 /nfs/dbraw/zinc/22/73/68/606227368.db2.gz GBJXMCGOBXXIOR-CRAIPNDOSA-N 1 0 393.495 2.189 20 0 GEADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000820033021 606282244 /nfs/dbraw/zinc/28/22/44/606282244.db2.gz RKUMULGWFJCHDR-YOEHRIQHSA-N 1 0 388.516 2.363 20 0 GEADRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc2c(c1)OCO2 ZINC000820420960 606299567 /nfs/dbraw/zinc/29/95/67/606299567.db2.gz YQBZXSJOYMVRJP-GXFFZTMASA-N 1 0 398.448 2.113 20 0 GEADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000821651719 606319013 /nfs/dbraw/zinc/31/90/13/606319013.db2.gz FMZWFQOFPQZOGL-LNMJFAINSA-N 1 0 398.511 2.418 20 0 GEADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000820530207 606367005 /nfs/dbraw/zinc/36/70/05/606367005.db2.gz XXDLUOZJZMXWGS-AWEZNQCLSA-N 1 0 384.484 2.157 20 0 GEADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000823066237 606368274 /nfs/dbraw/zinc/36/82/74/606368274.db2.gz RKCWZCBDYAAJAS-UHFFFAOYSA-N 1 0 386.525 2.482 20 0 GEADRO O=C(Nc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1)[C@H]1CCCO1 ZINC000823363784 606413183 /nfs/dbraw/zinc/41/31/83/606413183.db2.gz MYERZIJAOIAQPU-OAHLLOKOSA-N 1 0 384.465 2.336 20 0 GEADRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)N2CCOCC2)s1 ZINC000822230389 606418095 /nfs/dbraw/zinc/41/80/95/606418095.db2.gz FELFYKDNBAAOJB-CQSZACIVSA-N 1 0 390.538 2.461 20 0 GEADRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccc(Cl)nc1 ZINC000821597688 606434387 /nfs/dbraw/zinc/43/43/87/606434387.db2.gz CQSPHXDLTKVTNS-UHFFFAOYSA-N 1 0 377.861 2.437 20 0 GEADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000822718256 606440737 /nfs/dbraw/zinc/44/07/37/606440737.db2.gz FFRQUBNDAADCGJ-ZDUSSCGKSA-N 1 0 382.390 2.187 20 0 GEADRO FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000822714968 606475886 /nfs/dbraw/zinc/47/58/86/606475886.db2.gz XWDXPSSTDQZXHB-QJPTWQEYSA-N 1 0 384.410 2.063 20 0 GEADRO O=C(CC[N@@H+]1CCOC[C@H]1Cc1ccccc1)Nc1ccccc1-c1nn[nH]n1 ZINC000822969618 606523693 /nfs/dbraw/zinc/52/36/93/606523693.db2.gz UBLXECDKFCLTQU-QGZVFWFLSA-N 1 0 392.463 2.139 20 0 GEADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821277790 606536857 /nfs/dbraw/zinc/53/68/57/606536857.db2.gz YZHNELWHEPXYQP-UHFFFAOYSA-N 1 0 397.508 2.318 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000823099175 606551470 /nfs/dbraw/zinc/55/14/70/606551470.db2.gz 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O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000823455313 606678608 /nfs/dbraw/zinc/67/86/08/606678608.db2.gz ZXLUJCHJQCBNPN-CYBMUJFWSA-N 1 0 376.411 2.235 20 0 GEADRO C[NH+](C)CCN(Cc1ccco1)C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000821586342 606692597 /nfs/dbraw/zinc/69/25/97/606692597.db2.gz UBDQULJBFXESGZ-UHFFFAOYSA-N 1 0 386.481 2.142 20 0 GEADRO C[NH+](C)CCSCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000821587473 606693263 /nfs/dbraw/zinc/69/32/63/606693263.db2.gz YZXWOUBQZLGCAM-UHFFFAOYSA-N 1 0 380.543 2.430 20 0 GEADRO O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822993729 606715129 /nfs/dbraw/zinc/71/51/29/606715129.db2.gz XIBCMFUDFVAUTA-KRWDZBQOSA-N 1 0 380.427 2.112 20 0 GEADRO CC[N@H+]1C[C@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)[C@@H](C)C1 ZINC000821241866 606731491 /nfs/dbraw/zinc/73/14/91/606731491.db2.gz PJPAHMWFWGELEJ-ZANVPECISA-N 1 0 375.839 2.381 20 0 GEADRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000820404507 606778847 /nfs/dbraw/zinc/77/88/47/606778847.db2.gz WRVKWFDRBONUBD-QWRGUYRKSA-N 1 0 390.513 2.149 20 0 GEADRO CN(CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821604736 606796828 /nfs/dbraw/zinc/79/68/28/606796828.db2.gz DATNDPSEWKWEOX-IBGZPJMESA-N 1 0 378.480 2.452 20 0 GEADRO CN(C(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821571759 606809563 /nfs/dbraw/zinc/80/95/63/606809563.db2.gz DNXOUXJCWYBZID-IBGZPJMESA-N 1 0 391.479 2.283 20 0 GEADRO CN(C(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821571760 606809707 /nfs/dbraw/zinc/80/97/07/606809707.db2.gz DNXOUXJCWYBZID-LJQANCHMSA-N 1 0 391.479 2.283 20 0 GEADRO CC(=O)Oc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000819827562 606821755 /nfs/dbraw/zinc/82/17/55/606821755.db2.gz SKXZJVKNDUHOIW-UHFFFAOYSA-N 1 0 378.436 2.114 20 0 GEADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820092038 606826091 /nfs/dbraw/zinc/82/60/91/606826091.db2.gz 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C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000824874448 607795137 /nfs/dbraw/zinc/79/51/37/607795137.db2.gz CXACIIKGBBQOQR-ZBFHGGJFSA-N 1 0 379.468 2.225 20 0 GEADRO CC1(c2ccccc2)CC[NH+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824843668 607800579 /nfs/dbraw/zinc/80/05/79/607800579.db2.gz JBZVSSYMXJPSAL-SFHVURJKSA-N 1 0 376.464 2.447 20 0 GEADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000824599067 607814624 /nfs/dbraw/zinc/81/46/24/607814624.db2.gz LQLBSSZBCSKHPU-NSHDSACASA-N 1 0 393.419 2.269 20 0 GEADRO O=S(=O)(CC[NH2+]C1C2CC3CC(C2)CC1C3)c1cccc(-c2nn[nH]n2)c1 ZINC000826485088 607814853 /nfs/dbraw/zinc/81/48/53/607814853.db2.gz BPZVHNATFBMMJJ-UHFFFAOYSA-N 1 0 387.509 2.055 20 0 GEADRO O=S(=O)(CC[NH2+]CCSc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485248 607814995 /nfs/dbraw/zinc/81/49/95/607814995.db2.gz IDIQLSVPQOENHM-UHFFFAOYSA-N 1 0 389.506 2.022 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000826485479 607815178 /nfs/dbraw/zinc/81/51/78/607815178.db2.gz RVFIZGWPIOMKCA-KRWDZBQOSA-N 1 0 397.504 2.350 20 0 GEADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825981069 607824991 /nfs/dbraw/zinc/82/49/91/607824991.db2.gz NXDOQYFSTHRDEM-UHFFFAOYSA-N 1 0 394.479 2.272 20 0 GEADRO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824293318 607831455 /nfs/dbraw/zinc/83/14/55/607831455.db2.gz JQYMYGHOVQTVLR-OAHLLOKOSA-N 1 0 388.497 2.016 20 0 GEADRO CC[C@@H]1CN(c2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000825213450 607841030 /nfs/dbraw/zinc/84/10/30/607841030.db2.gz YLCINMIOILTOBP-GFCCVEGCSA-N 1 0 384.406 2.433 20 0 GEADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000826335012 607849000 /nfs/dbraw/zinc/84/90/00/607849000.db2.gz UASKWQFQWRITCM-SFHVURJKSA-N 1 0 394.483 2.140 20 0 GEADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000826523731 607849853 /nfs/dbraw/zinc/84/98/53/607849853.db2.gz WFGKYKLTZUUJIO-INIZCTEOSA-N 1 0 393.495 2.496 20 0 GEADRO C[C@@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc([S@@](C)=O)cc1 ZINC000824627531 607910459 /nfs/dbraw/zinc/91/04/59/607910459.db2.gz YFJDVXVGXLBHMB-KHXSAUHESA-N 1 0 381.465 2.103 20 0 GEADRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825154824 607925180 /nfs/dbraw/zinc/92/51/80/607925180.db2.gz UJFZLLCUERJYGI-KRWDZBQOSA-N 1 0 395.463 2.426 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccccc2F)c1-c1nn[nH]n1 ZINC000826077340 608020449 /nfs/dbraw/zinc/02/04/49/608020449.db2.gz DTZIYAQBCMOKPP-NSHDSACASA-N 1 0 386.435 2.013 20 0 GEADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](c2ccccc2)C(C)C)c1-c1nn[nH]n1 ZINC000826073197 608020730 /nfs/dbraw/zinc/02/07/30/608020730.db2.gz JCKVGNZWRCEUGJ-HNNXBMFYSA-N 1 0 382.472 2.120 20 0 GEADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc(Cl)cc2cccnc21 ZINC000825933827 608034459 /nfs/dbraw/zinc/03/44/59/608034459.db2.gz GWTYDSLJADHONZ-UHFFFAOYSA-N 1 0 397.874 2.438 20 0 GEADRO O=C(CC[NH+]1CCC(Nc2ccccn2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407510 608045470 /nfs/dbraw/zinc/04/54/70/608045470.db2.gz PODDPXRRZDBGKQ-UHFFFAOYSA-N 1 0 392.467 2.167 20 0 GEADRO C[C@H](CNc1ccc(-c2nn[nH]n2)cc1Br)C[NH+]1CCOCC1 ZINC000824429425 608049948 /nfs/dbraw/zinc/04/99/48/608049948.db2.gz WKPGQUGUUNHBCY-LLVKDONJSA-N 1 0 381.278 2.009 20 0 GEADRO CC(C)[NH+](CCSCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000824292885 608077747 /nfs/dbraw/zinc/07/77/47/608077747.db2.gz CECXCEAPQQAWKJ-UHFFFAOYSA-N 1 0 376.530 2.335 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000826175461 608079242 /nfs/dbraw/zinc/07/92/42/608079242.db2.gz GGUKWVNEPPLTKD-SFHVURJKSA-N 1 0 394.479 2.243 20 0 GEADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000826423304 608108226 /nfs/dbraw/zinc/10/82/26/608108226.db2.gz IKANHUSYZUJJTM-UHFFFAOYSA-N 1 0 392.463 2.005 20 0 GEADRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824393836 608112734 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GYVGITJDTMEVPK-WMLDXEAASA-N 1 0 376.486 2.031 20 0 GEADRO Cc1sc(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c(-c2nn[nH]n2)c1C ZINC000826349399 608133380 /nfs/dbraw/zinc/13/33/80/608133380.db2.gz GYVGITJDTMEVPK-RHSMWYFYSA-N 1 0 376.486 2.031 20 0 GEADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824171839 608140327 /nfs/dbraw/zinc/14/03/27/608140327.db2.gz FGULBQSCPNSJIB-UHFFFAOYSA-N 1 0 392.463 2.248 20 0 GEADRO CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)nc2)CC1)CC1CC1 ZINC000825420024 608203129 /nfs/dbraw/zinc/20/31/29/608203129.db2.gz YLDIIEDNDBXXSL-UHFFFAOYSA-N 1 0 383.500 2.236 20 0 GEADRO O=C([C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2)N1CCCCC1 ZINC000826397840 608212498 /nfs/dbraw/zinc/21/24/98/608212498.db2.gz LMUIRYOHRCYBJH-SFHVURJKSA-N 1 0 380.496 2.481 20 0 GEADRO c1cc2nc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2cc1-c1nn[nH]n1 ZINC000826518486 608224477 /nfs/dbraw/zinc/22/44/77/608224477.db2.gz PEQXEWKGCHJCRZ-KRWDZBQOSA-N 1 0 379.468 2.470 20 0 GEADRO c1cc2nc(NC3CC[NH+](C[C@H]4CCOC4)CC3)ccc2cc1-c1nn[nH]n1 ZINC000826518386 608229776 /nfs/dbraw/zinc/22/97/76/608229776.db2.gz LNRPWDLYPPSIKJ-CQSZACIVSA-N 1 0 379.468 2.328 20 0 GEADRO COc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)cc1-c1nn[nH]n1 ZINC000826194725 608258992 /nfs/dbraw/zinc/25/89/92/608258992.db2.gz UMFPVPXSNXXGSR-HNNXBMFYSA-N 1 0 382.472 2.427 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824385143 608280696 /nfs/dbraw/zinc/28/06/96/608280696.db2.gz MTSJPCOCHFECJR-ZDUSSCGKSA-N 1 0 384.415 2.392 20 0 GEADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@H]1C ZINC000825443730 608281101 /nfs/dbraw/zinc/28/11/01/608281101.db2.gz FBPDUOJYMIFGFS-MNOVXSKESA-N 1 0 395.414 2.415 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(NS(C)(=O)=O)cc1 ZINC000824604404 608285042 /nfs/dbraw/zinc/28/50/42/608285042.db2.gz CJTBSCNYFBTMBL-LLVKDONJSA-N 1 0 390.444 2.228 20 0 GEADRO COc1ccc(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)cc1-c1nn[nH]n1 ZINC000826202219 608286889 /nfs/dbraw/zinc/28/68/89/608286889.db2.gz RYPMFGVBJNBALJ-GFCCVEGCSA-N 1 0 378.440 2.386 20 0 GEADRO CS[C@@H](C)CCC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826225499 608296036 /nfs/dbraw/zinc/29/60/36/608296036.db2.gz DEBRLYVNZDQWFH-AWEZNQCLSA-N 1 0 376.530 2.289 20 0 GEADRO CCC[C@@H]1CN(C(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC[N@@H+]1CCOC ZINC000825251484 608307339 /nfs/dbraw/zinc/30/73/39/608307339.db2.gz BOGNGSYCBDVWTG-OAHLLOKOSA-N 1 0 387.488 2.140 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c1-c1nn[nH]n1 ZINC000826332077 608309039 /nfs/dbraw/zinc/30/90/39/608309039.db2.gz JCWFSDRPWISKSF-OAHLLOKOSA-N 1 0 379.468 2.362 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c1-c1nn[nH]n1 ZINC000826332610 608313407 /nfs/dbraw/zinc/31/34/07/608313407.db2.gz ZIGFVCXIFUAUBU-ZWKOTPCHSA-N 1 0 392.511 2.419 20 0 GEADRO Cc1nn(-c2ccccc2)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000826332570 608313516 /nfs/dbraw/zinc/31/35/16/608313516.db2.gz XXDCOKDIHDIFIR-QGZVFWFLSA-N 1 0 378.484 2.031 20 0 GEADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826158080 608313816 /nfs/dbraw/zinc/31/38/16/608313816.db2.gz ZCMGCESVVOMBFW-UHFFFAOYSA-N 1 0 386.500 2.077 20 0 GEADRO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825981072 608316517 /nfs/dbraw/zinc/31/65/17/608316517.db2.gz OCIHRAWUYVDNPH-LJQANCHMSA-N 1 0 380.496 2.400 20 0 GEADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1-c1nn[nH]n1 ZINC000826332451 608317084 /nfs/dbraw/zinc/31/70/84/608317084.db2.gz UYNNBYOMSLSWNT-IIBYNOLFSA-N 1 0 393.495 2.488 20 0 GEADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826033534 608351554 /nfs/dbraw/zinc/35/15/54/608351554.db2.gz GGPONTIKGHQOEJ-QGZVFWFLSA-N 1 0 391.479 2.427 20 0 GEADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000826169224 608365363 /nfs/dbraw/zinc/36/53/63/608365363.db2.gz LPYGPLWUOGBNHL-MRXNPFEDSA-N 1 0 390.451 2.298 20 0 GEADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)C1 ZINC000824936664 608385868 /nfs/dbraw/zinc/38/58/68/608385868.db2.gz KYFMBSYLCNEXRG-CQSZACIVSA-N 1 0 386.475 2.476 20 0 GEADRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000826457925 608403505 /nfs/dbraw/zinc/40/35/05/608403505.db2.gz VVIBHSCZSKJLMC-CQSZACIVSA-N 1 0 381.415 2.252 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826431596 608407085 /nfs/dbraw/zinc/40/70/85/608407085.db2.gz GIGQDJDSBSVHKN-OALUTQOASA-N 1 0 393.495 2.292 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825307654 608419359 /nfs/dbraw/zinc/41/93/59/608419359.db2.gz JWDNFILDZRMGDH-UHFFFAOYSA-N 1 0 383.500 2.397 20 0 GEADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000826493771 608419514 /nfs/dbraw/zinc/41/95/14/608419514.db2.gz BPCFAFTUWCKQEV-MRXNPFEDSA-N 1 0 396.476 2.040 20 0 GEADRO O=C(NCCC[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000826436982 608420951 /nfs/dbraw/zinc/42/09/51/608420951.db2.gz RDTOAVXIDJLZSF-UHFFFAOYSA-N 1 0 380.374 2.024 20 0 GEADRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825631872 608431022 /nfs/dbraw/zinc/43/10/22/608431022.db2.gz HVICWCRAMQBEBS-CQSZACIVSA-N 1 0 380.452 2.232 20 0 GEADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824004979 608432791 /nfs/dbraw/zinc/43/27/91/608432791.db2.gz IOULOXYAXQDUQF-LBPRGKRZSA-N 1 0 379.424 2.114 20 0 GEADRO CCOc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000825653613 608437729 /nfs/dbraw/zinc/43/77/29/608437729.db2.gz GQTVKPBQTBDCSW-AWEZNQCLSA-N 1 0 380.452 2.232 20 0 GEADRO COc1cc(C[N@H+](C)[C@@H](C)CO)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000826179006 608455350 /nfs/dbraw/zinc/45/53/50/608455350.db2.gz UTWCAPKFTZJLFE-AWEZNQCLSA-N 1 0 383.452 2.267 20 0 GEADRO CC[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1OCC(=O)NC ZINC000825148394 608457972 /nfs/dbraw/zinc/45/79/72/608457972.db2.gz QKZUCBNDKPMWCN-QGZVFWFLSA-N 1 0 398.442 2.372 20 0 GEADRO CC(C)([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)C(=O)NCC1CCCCC1 ZINC000824167698 608458202 /nfs/dbraw/zinc/45/82/02/608458202.db2.gz SHDXJAWQPJMUAS-UHFFFAOYSA-N 1 0 386.500 2.310 20 0 GEADRO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584815 608459516 /nfs/dbraw/zinc/45/95/16/608459516.db2.gz HWZVHYAYRYXALP-ZDUSSCGKSA-N 1 0 376.420 2.204 20 0 GEADRO CCc1ccnc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825727873 608460161 /nfs/dbraw/zinc/46/01/61/608460161.db2.gz CBJCUXCCRBSIFM-UHFFFAOYSA-N 1 0 379.468 2.028 20 0 GEADRO CCOCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825605046 608465699 /nfs/dbraw/zinc/46/56/99/608465699.db2.gz OWGDMLXYQQSZRD-OAHLLOKOSA-N 1 0 394.479 2.370 20 0 GEADRO CN(C)C(=O)C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825840288 608473100 /nfs/dbraw/zinc/47/31/00/608473100.db2.gz NDXBULKAPFVHSW-SFHVURJKSA-N 1 0 380.452 2.055 20 0 GEADRO CN(C)C(=O)C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000825840318 608473443 /nfs/dbraw/zinc/47/34/43/608473443.db2.gz NQXKQUWZPQRDRG-QGZVFWFLSA-N 1 0 380.452 2.055 20 0 GEADRO C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824563112 608480101 /nfs/dbraw/zinc/48/01/01/608480101.db2.gz LOTDZVRJGFWSSL-OAHLLOKOSA-N 1 0 376.464 2.365 20 0 GEADRO C[C@@H]([NH2+]CC(=O)N(C)CCCOc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554949 608484265 /nfs/dbraw/zinc/48/42/65/608484265.db2.gz TWVQFYHDWAMQFT-MRXNPFEDSA-N 1 0 394.479 2.445 20 0 GEADRO C[C@H]([NH2+]CC(=O)NCCc1c(F)cccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000824562071 608485877 /nfs/dbraw/zinc/48/58/77/608485877.db2.gz CNPIDZWBTFGVGE-LBPRGKRZSA-N 1 0 386.406 2.154 20 0 GEADRO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826218765 608490121 /nfs/dbraw/zinc/49/01/21/608490121.db2.gz KMLRFXGCHUVJKD-KGLIPLIRSA-N 1 0 380.452 2.403 20 0 GEADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000824531869 608493456 /nfs/dbraw/zinc/49/34/56/608493456.db2.gz RDRDRZOIIZAYEA-QWRGUYRKSA-N 1 0 392.423 2.126 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)c1ccccc1 ZINC000824564841 608493547 /nfs/dbraw/zinc/49/35/47/608493547.db2.gz WSHOHKYDRKEFMS-AWEZNQCLSA-N 1 0 388.435 2.342 20 0 GEADRO NC(=O)C1CC[NH+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000826390196 608496712 /nfs/dbraw/zinc/49/67/12/608496712.db2.gz SNVDDINMPDWJQE-UHFFFAOYSA-N 1 0 392.463 2.143 20 0 GEADRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826197152 608505106 /nfs/dbraw/zinc/50/51/06/608505106.db2.gz BXTGHFXBAMEHJQ-IBGZPJMESA-N 1 0 392.463 2.159 20 0 GEADRO COc1cccc(C(=O)NCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826214361 608505810 /nfs/dbraw/zinc/50/58/10/608505810.db2.gz JHMRAKHCFLWLKX-IBGZPJMESA-N 1 0 392.463 2.272 20 0 GEADRO CCCn1nc(C)c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1C ZINC000825362253 608514740 /nfs/dbraw/zinc/51/47/40/608514740.db2.gz KZKGEPSAEYLXHF-UHFFFAOYSA-N 1 0 380.500 2.412 20 0 GEADRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824314746 608529856 /nfs/dbraw/zinc/52/98/56/608529856.db2.gz FCZGRNAYLAZLGE-UHFFFAOYSA-N 1 0 392.529 2.072 20 0 GEADRO COc1ccccc1CN(C)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826219415 608532227 /nfs/dbraw/zinc/53/22/27/608532227.db2.gz BFACGCJFFFKPMD-UHFFFAOYSA-N 1 0 392.463 2.113 20 0 GEADRO O=C1O[C@@H](C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CN1c1ccccc1 ZINC000826483281 608534098 /nfs/dbraw/zinc/53/40/98/608534098.db2.gz HWSJNPNWTXXYBX-KRWDZBQOSA-N 1 0 376.420 2.471 20 0 GEADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cccn2)cc1 ZINC000824563707 608550308 /nfs/dbraw/zinc/55/03/08/608550308.db2.gz PQFIRIAHZHWNQD-AWEZNQCLSA-N 1 0 388.435 2.342 20 0 GEADRO COC[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000826150696 608552269 /nfs/dbraw/zinc/55/22/69/608552269.db2.gz JWMXZCYWNOMYDV-DLBZAZTESA-N 1 0 375.379 2.156 20 0 GEADRO COC(=O)C(C)(C)[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826098753 608555291 /nfs/dbraw/zinc/55/52/91/608555291.db2.gz NQIXULSHANCYGC-ROUUACIJSA-N 1 0 395.463 2.430 20 0 GEADRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824531364 608577996 /nfs/dbraw/zinc/57/79/96/608577996.db2.gz PFIAFTHASZDJBX-BZNIZROVSA-N 1 0 386.843 2.170 20 0 GEADRO C[NH+]1CCC2(CCCN2C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826029101 608594844 /nfs/dbraw/zinc/59/48/44/608594844.db2.gz OHUCFDPOSLGLAD-UHFFFAOYSA-N 1 0 386.525 2.187 20 0 GEADRO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000826454337 608658489 /nfs/dbraw/zinc/65/84/89/608658489.db2.gz SGXGNYIXZZGLOT-ZDUSSCGKSA-N 1 0 387.444 2.463 20 0 GEADRO C[N@H+](CCN1CCN(Cc2ccc(-c3nn[nH]n3)s2)CC1)Cc1ccccc1 ZINC000825938950 608682640 /nfs/dbraw/zinc/68/26/40/608682640.db2.gz ZTNRMCHDTLFYMF-UHFFFAOYSA-N 1 0 397.552 2.178 20 0 GEADRO CCc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000825718004 608762681 /nfs/dbraw/zinc/76/26/81/608762681.db2.gz SWDDUPHFBQOTAW-UHFFFAOYSA-N 1 0 394.479 2.339 20 0 GEADRO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccco1 ZINC000826502993 608842839 /nfs/dbraw/zinc/84/28/39/608842839.db2.gz NZCQRRYAESRUFQ-GOEBONIOSA-N 1 0 379.424 2.196 20 0 GEADRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824991826 609133459 /nfs/dbraw/zinc/13/34/59/609133459.db2.gz HMRNGZWBTZPVLR-KGLIPLIRSA-N 1 0 397.458 2.477 20 0 GEADRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825471580 609133588 /nfs/dbraw/zinc/13/35/88/609133588.db2.gz XHWXJYBYNPECCC-ZDUSSCGKSA-N 1 0 398.442 2.372 20 0 GEADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824571328 609134792 /nfs/dbraw/zinc/13/47/92/609134792.db2.gz PWOCRSDAYJZKAG-RISCZKNCSA-N 1 0 375.379 2.235 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000446396379 649979372 /nfs/dbraw/zinc/97/93/72/649979372.db2.gz ABWUBJZOPCXXAV-YUTCNCBUSA-N 1 0 380.286 2.188 20 0 GEADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1=O ZINC000826220524 609154108 /nfs/dbraw/zinc/15/41/08/609154108.db2.gz QFSPIGNWOAATGC-MLGOLLRUSA-N 1 0 396.426 2.471 20 0 GEADRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000824545984 609168784 /nfs/dbraw/zinc/16/87/84/609168784.db2.gz FWFHXIXTQBEPPL-KDOFPFPSSA-N 1 0 394.483 2.490 20 0 GEADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000826522897 609176825 /nfs/dbraw/zinc/17/68/25/609176825.db2.gz SGYLMLDGYYKYLV-HNNXBMFYSA-N 1 0 375.436 2.415 20 0 GEADRO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824968914 609238681 /nfs/dbraw/zinc/23/86/81/609238681.db2.gz QTWZBVDNQYYGCB-UPRAQXHNSA-N 1 0 380.496 2.481 20 0 GEADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826090695 609248970 /nfs/dbraw/zinc/24/89/70/609248970.db2.gz LFJVMPNTUSEFRH-ZDUSSCGKSA-N 1 0 398.492 2.115 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C=Cc1ccc(O)cc1 ZINC000825866053 609268771 /nfs/dbraw/zinc/26/87/71/609268771.db2.gz PZGHWRPPNOUMFZ-KPKJPENVSA-N 1 0 392.463 2.176 20 0 GEADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826431393 609289283 /nfs/dbraw/zinc/28/92/83/609289283.db2.gz ADDXJTSYWUHITE-UHFFFAOYSA-N 1 0 397.870 2.310 20 0 GEADRO C[C@H](NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824522879 609316141 /nfs/dbraw/zinc/31/61/41/609316141.db2.gz WBZOVWRFGXHNPZ-RYUDHWBXSA-N 1 0 389.891 2.298 20 0 GEADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617897 609327745 /nfs/dbraw/zinc/32/77/45/609327745.db2.gz LFBMWNYQWDLLCO-CYBMUJFWSA-N 1 0 398.442 2.324 20 0 GEADRO Cn1cc(CNCCC[NH+]2CCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361523 609336011 /nfs/dbraw/zinc/33/60/11/609336011.db2.gz AUFXZDHXNKQMMW-UHFFFAOYSA-N 1 0 380.500 2.233 20 0 GEADRO Cc1csc(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826320838 609337109 /nfs/dbraw/zinc/33/71/09/609337109.db2.gz GWGOYYAMJOFVPL-UHFFFAOYSA-N 1 0 380.481 2.364 20 0 GEADRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826305529 609340319 /nfs/dbraw/zinc/34/03/19/609340319.db2.gz ADAJLUONBUZWBE-IBGZPJMESA-N 1 0 389.463 2.399 20 0 GEADRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)ncn1 ZINC000826090990 609341575 /nfs/dbraw/zinc/34/15/75/609341575.db2.gz UGEOKWHKNOKTET-GXTWGEPZSA-N 1 0 397.462 2.157 20 0 GEADRO O=C1[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476612 609417843 /nfs/dbraw/zinc/41/78/43/609417843.db2.gz LCUBCBSPLKTTJQ-NVXWUHKLSA-N 1 0 382.468 2.053 20 0 GEADRO c1ccc2c(c1)CC[C@H](C[NH+]1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)C2 ZINC000826523598 609419384 /nfs/dbraw/zinc/41/93/84/609419384.db2.gz RJQVFPGCOUYRJP-INIZCTEOSA-N 1 0 375.480 2.189 20 0 GEADRO Cc1nc2c(c(N(CC[NH+](C)C)Cc3ccc(-c4nn[nH]n4)cc3)n1)CCCC2 ZINC000826328671 609438027 /nfs/dbraw/zinc/43/80/27/609438027.db2.gz YZCMDYICSVVZGP-UHFFFAOYSA-N 1 0 392.511 2.412 20 0 GEADRO CN(C)c1cc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)ccn1 ZINC000825875178 609442090 /nfs/dbraw/zinc/44/20/90/609442090.db2.gz CGBXPKNFDATSBD-UHFFFAOYSA-N 1 0 378.484 2.040 20 0 GEADRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000826429351 609496085 /nfs/dbraw/zinc/49/60/85/609496085.db2.gz AQYMVLMDUJSQEI-BPQIPLTHSA-N 1 0 391.479 2.225 20 0 GEADRO Cc1c(Cl)cnc(N2CC[NH+](CCOc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826237564 609522434 /nfs/dbraw/zinc/52/24/34/609522434.db2.gz DLSDRUBGGWNKTD-UHFFFAOYSA-N 1 0 399.886 2.425 20 0 GEADRO C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000824936034 609538753 /nfs/dbraw/zinc/53/87/53/609538753.db2.gz DNUAZWGBQLNLPX-NWDGAFQWSA-N 1 0 398.920 2.061 20 0 GEADRO Cc1nc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1Br ZINC000446478059 649981706 /nfs/dbraw/zinc/98/17/06/649981706.db2.gz RJSCQGOXPOMBGB-NWDGAFQWSA-N 1 0 397.317 2.470 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826034652 609552401 /nfs/dbraw/zinc/55/24/01/609552401.db2.gz UOYDRRPDYSOVKN-ZDUSSCGKSA-N 1 0 398.920 2.015 20 0 GEADRO Cc1c(Cl)cnc(N2CCC(OCCC[NH+](C)C)CC2)c1-c1nn[nH]n1 ZINC000826237737 609568537 /nfs/dbraw/zinc/56/85/37/609568537.db2.gz JTRCEYDXVCGJMH-UHFFFAOYSA-N 1 0 379.896 2.161 20 0 GEADRO Cc1c(Cl)cnc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1-c1nn[nH]n1 ZINC000826239053 609577020 /nfs/dbraw/zinc/57/70/20/609577020.db2.gz WWIXYTMYQIXINM-ZIAGYGMSSA-N 1 0 377.880 2.279 20 0 GEADRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCO1 ZINC000824215535 609600738 /nfs/dbraw/zinc/60/07/38/609600738.db2.gz LCZQYEFWVLMIRM-JQHSSLGASA-N 1 0 384.484 2.155 20 0 GEADRO C[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@@H]1CC=CCC1 ZINC000825892124 609610342 /nfs/dbraw/zinc/61/03/42/609610342.db2.gz GQVHYMIUTUALMV-OAHLLOKOSA-N 1 0 392.467 2.279 20 0 GEADRO C[NH+](C)CCNC(=O)NCc1ccc(Cl)cc1I ZINC000446870265 649989799 /nfs/dbraw/zinc/98/97/99/649989799.db2.gz GRCXAKJMRJFERX-UHFFFAOYSA-N 1 0 381.645 2.305 20 0 GEADRO CC(=O)N1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000447080782 649996976 /nfs/dbraw/zinc/99/69/76/649996976.db2.gz ZIJAHEQVILTYGD-UHFFFAOYSA-N 1 0 378.416 2.209 20 0 GEADRO C[C@H](CC[NH3+])[N-]S(=O)(=O)c1scc(Br)c1Br ZINC000447250327 650003659 /nfs/dbraw/zinc/00/36/59/650003659.db2.gz WCVQVQHSHFSQLU-RXMQYKEDSA-N 1 0 392.138 2.289 20 0 GEADRO C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1scc(Br)c1Br ZINC000447250331 650003670 /nfs/dbraw/zinc/00/36/70/650003670.db2.gz WCVQVQHSHFSQLU-YFKPBYRVSA-N 1 0 392.138 2.289 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000447252031 650003705 /nfs/dbraw/zinc/00/37/05/650003705.db2.gz WVOLFQONBXPIAH-CPCISQLKSA-N 1 0 387.221 2.436 20 0 GEADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](CO)[C@H]3CCCO3)C2=O)ccc1Br ZINC000447900603 650010561 /nfs/dbraw/zinc/01/05/61/650010561.db2.gz CZJZRVIHPVUKTO-GVDBMIGSSA-N 1 0 397.313 2.382 20 0 GEADRO COCC[C@]1([NH2+]CC(=O)N(C)Cc2ccccc2Br)CCOC1 ZINC000447388867 650006255 /nfs/dbraw/zinc/00/62/55/650006255.db2.gz YGQBTLHRXCAUGB-KRWDZBQOSA-N 1 0 385.302 2.193 20 0 GEADRO C[NH+](C)Cc1ccsc1C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000447432330 650006791 /nfs/dbraw/zinc/00/67/91/650006791.db2.gz UCJTXWVBBKJDAG-UHFFFAOYSA-N 1 0 382.507 2.022 20 0 GEADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000448318798 650015156 /nfs/dbraw/zinc/01/51/56/650015156.db2.gz CHIGGYDILHKEBL-CYBMUJFWSA-N 1 0 383.290 2.019 20 0 GEADRO C[NH+](C)CCn1ccc(NC(=O)CCc2cccc(F)c2Br)n1 ZINC000448829983 650022645 /nfs/dbraw/zinc/02/26/45/650022645.db2.gz DMOGRNYLNZPQPW-UHFFFAOYSA-N 1 0 383.265 2.918 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc(Br)c2F)CC1 ZINC000449036952 650030843 /nfs/dbraw/zinc/03/08/43/650030843.db2.gz LVEATMMDLLJXCK-HNNXBMFYSA-N 1 0 384.293 2.327 20 0 GEADRO CC[C@H]([NH2+]Cc1ccc(I)cc1)C(=O)N1CCOCC1 ZINC000449180320 650033485 /nfs/dbraw/zinc/03/34/85/650033485.db2.gz ZRXZXFIICZZCQT-AWEZNQCLSA-N 1 0 388.249 2.018 20 0 GEADRO CSCC1CCC([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1 ZINC000449165214 650033562 /nfs/dbraw/zinc/03/35/62/650033562.db2.gz UOFFOMGPFXFQHF-UHFFFAOYSA-N 1 0 386.587 2.085 20 0 GEADRO COC(=O)COC[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000449227061 650034717 /nfs/dbraw/zinc/03/47/17/650034717.db2.gz OAGYWDPQAOFOMB-QMTHXVAHSA-N 1 0 375.252 2.266 20 0 GEADRO CCOC(=O)[C@H]1CN(Cc2cc3c(c(Br)c2)OCO3)CC12COC2 ZINC000449362794 650038827 /nfs/dbraw/zinc/03/88/27/650038827.db2.gz KZUDCNNDRKBQOA-GFCCVEGCSA-N 1 0 398.253 2.189 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1CC(O)C1 ZINC000449284768 650037759 /nfs/dbraw/zinc/03/77/59/650037759.db2.gz PZCIQTIDVIHPIQ-BZUNDVKYSA-N 1 0 385.302 2.213 20 0 GEADRO CCOC(=O)[C@@H]1CN(Cc2cc3c(c(Br)c2)OCO3)CC12COC2 ZINC000449362795 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CC[NH+]1CCN(CC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000452856007 650199771 /nfs/dbraw/zinc/19/97/71/650199771.db2.gz YFDVGHWXUOGJNL-MRXNPFEDSA-N 1 0 380.330 2.403 20 0 GEADRO CO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C12CCC2 ZINC000453204013 650206726 /nfs/dbraw/zinc/20/67/26/650206726.db2.gz BIATYLAMFSQJKY-HUUCEWRRSA-N 1 0 376.881 2.305 20 0 GEADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1cn[nH]c1 ZINC000453211748 650207064 /nfs/dbraw/zinc/20/70/64/650207064.db2.gz NXKNPYINRMSTPU-NSHDSACASA-N 1 0 387.303 2.191 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000453648959 650211950 /nfs/dbraw/zinc/21/19/50/650211950.db2.gz FSEBLKWEZHYZNR-UHFFFAOYSA-N 1 0 386.265 2.293 20 0 GEADRO COC[C@](C)(O)CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453268681 650207364 /nfs/dbraw/zinc/20/73/64/650207364.db2.gz ZWJHEFKPGHZJFC-YMTOWFKASA-N 1 0 385.313 2.079 20 0 GEADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000453279702 650207958 /nfs/dbraw/zinc/20/79/58/650207958.db2.gz QNJIDVLNKPCMCX-PIGZYNQJSA-N 1 0 384.498 2.458 20 0 GEADRO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453385905 650208902 /nfs/dbraw/zinc/20/89/02/650208902.db2.gz VFAQEONRHGSKJH-TVQRCGJNSA-N 1 0 377.304 2.172 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000453573059 650209315 /nfs/dbraw/zinc/20/93/15/650209315.db2.gz HXKGWVLWVOZTFN-UHFFFAOYSA-N 1 0 397.317 2.473 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000453607501 650210337 /nfs/dbraw/zinc/21/03/37/650210337.db2.gz GCOAZOAAGDSJDF-NWDGAFQWSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000453649954 650212316 /nfs/dbraw/zinc/21/23/16/650212316.db2.gz PWLDRVZGBVMJPN-LLVKDONJSA-N 1 0 386.265 2.245 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000453652327 650212641 /nfs/dbraw/zinc/21/26/41/650212641.db2.gz OODICLXPVFHIDG-SNVBAGLBSA-N 1 0 384.249 2.188 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cnc2C)C1 ZINC000453680683 650215005 /nfs/dbraw/zinc/21/50/05/650215005.db2.gz UFWOURDGZCTTQJ-CYBMUJFWSA-N 1 0 383.290 2.034 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Br)cnc2C)[C@H](C)C1 ZINC000453710049 650218476 /nfs/dbraw/zinc/21/84/76/650218476.db2.gz DZUVMAXZTXXEPK-IAQYHMDHSA-N 1 0 397.317 2.280 20 0 GEADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453728573 650220424 /nfs/dbraw/zinc/22/04/24/650220424.db2.gz JFVRMOFJCMJFGP-UHFFFAOYSA-N 1 0 385.306 2.281 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000454065976 650250251 /nfs/dbraw/zinc/25/02/51/650250251.db2.gz GYIDMGAXUACPCU-UHFFFAOYSA-N 1 0 394.313 2.329 20 0 GEADRO COc1ccc(Br)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000454069247 650250606 /nfs/dbraw/zinc/25/06/06/650250606.db2.gz MGHHHXBQVPLSOF-UHFFFAOYSA-N 1 0 398.301 2.387 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000454087655 650251945 /nfs/dbraw/zinc/25/19/45/650251945.db2.gz GTRHLCDMWDCVFT-GFCCVEGCSA-N 1 0 398.301 2.337 20 0 GEADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000454106804 650253910 /nfs/dbraw/zinc/25/39/10/650253910.db2.gz RESUHRQIMWRZNJ-GFCCVEGCSA-N 1 0 386.265 2.468 20 0 GEADRO Cc1nc(CNC(=O)NCCCC[NH+]2CCOCC2)sc1Br ZINC000454321058 650262971 /nfs/dbraw/zinc/26/29/71/650262971.db2.gz JIWMGNBELYAEFR-UHFFFAOYSA-N 1 0 391.335 2.126 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)NCc2nn(C)cc2Br)CC1 ZINC000454340451 650263341 /nfs/dbraw/zinc/26/33/41/650263341.db2.gz YXAWEMHOAFVYOI-UHFFFAOYSA-N 1 0 386.338 2.494 20 0 GEADRO Cn1cc(Br)c(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC000454497889 650268170 /nfs/dbraw/zinc/26/81/70/650268170.db2.gz IDEJVHVBZXXAEV-OAHLLOKOSA-N 1 0 386.338 2.492 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCOc2ccc(Cl)c(Cl)c2)C1 ZINC000454532392 650269010 /nfs/dbraw/zinc/26/90/10/650269010.db2.gz CACQYMXMEMOACY-LBPRGKRZSA-N 1 0 376.284 2.392 20 0 GEADRO Cc1nc(CNC(=O)NCC2([NH+](C)C)CCOCC2)sc1Br ZINC000454535028 650269082 /nfs/dbraw/zinc/26/90/82/650269082.db2.gz FGFHRNOIMDYAAO-UHFFFAOYSA-N 1 0 391.335 2.124 20 0 GEADRO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(Br)c1 ZINC000454696769 650276293 /nfs/dbraw/zinc/27/62/93/650276293.db2.gz MQUNTYJNPQAMJH-GFCCVEGCSA-N 1 0 386.290 2.426 20 0 GEADRO COc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000454704066 650276816 /nfs/dbraw/zinc/27/68/16/650276816.db2.gz VJYPMYQECSXKEP-GFCCVEGCSA-N 1 0 386.290 2.426 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCn1cc(Br)ccc1=O ZINC000454977597 650285930 /nfs/dbraw/zinc/28/59/30/650285930.db2.gz HGKVREWHUZKJTO-ZDUSSCGKSA-N 1 0 387.322 2.030 20 0 GEADRO COc1cc(Br)cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000455041680 650288344 /nfs/dbraw/zinc/28/83/44/650288344.db2.gz FQYGADAVZHJVQK-AWEZNQCLSA-N 1 0 386.290 2.426 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455553174 650307949 /nfs/dbraw/zinc/30/79/49/650307949.db2.gz MBRVNQOEKWEJJZ-XHSDSOJGSA-N 1 0 394.313 2.009 20 0 GEADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000455658721 650311920 /nfs/dbraw/zinc/31/19/20/650311920.db2.gz FQIPTXHVZNRNIT-RRQGHBQHSA-N 1 0 380.330 2.305 20 0 GEADRO CC[C@H](CO)[NH+]1CCN(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000455699903 650313148 /nfs/dbraw/zinc/31/31/48/650313148.db2.gz JZRLTSRWTWRSKG-VXGBXAGGSA-N 1 0 380.436 2.153 20 0 GEADRO Cc1csc([C@@H](NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)C(F)(F)F)n1 ZINC000455717402 650314143 /nfs/dbraw/zinc/31/41/43/650314143.db2.gz ZYIPDQAIAFRIGX-VXGBXAGGSA-N 1 0 380.436 2.153 20 0 GEADRO COc1cc(I)ccc1NC(=O)NC[C@@H](C)[NH+](C)C ZINC000455733708 650314697 /nfs/dbraw/zinc/31/46/97/650314697.db2.gz KDATWILSWFREJL-SECBINFHSA-N 1 0 377.226 2.371 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(I)cn2)[C@@H](C)C1 ZINC000455731154 650314733 /nfs/dbraw/zinc/31/47/33/650314733.db2.gz AWYCNFDOIRBMAW-SMDDNHRTSA-N 1 0 387.265 2.489 20 0 GEADRO C[C@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000455855572 650322136 /nfs/dbraw/zinc/32/21/36/650322136.db2.gz ZJQNMSREDDRGKO-VXGBXAGGSA-N 1 0 395.305 2.734 20 0 GEADRO C[C@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[N@@H+]1CCCC[C@H]1C ZINC000455839533 650321277 /nfs/dbraw/zinc/32/12/77/650321277.db2.gz HPFBNDUSRDUNIO-VXGBXAGGSA-N 1 0 395.305 2.876 20 0 GEADRO CCS(=O)(=O)Cc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000455949656 650326532 /nfs/dbraw/zinc/32/65/32/650326532.db2.gz ALJRDULHOPPAFT-KRWDZBQOSA-N 1 0 385.555 2.180 20 0 GEADRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000554785347 651213142 /nfs/dbraw/zinc/21/31/42/651213142.db2.gz KYTXMRFOHSDSNJ-LBPRGKRZSA-N 1 0 376.238 2.226 20 0 GEADRO C[C@@H]1CN(C(=O)c2ccc(I)cn2)CC[N@@H+](C2CC2)C1 ZINC000456025249 650327755 /nfs/dbraw/zinc/32/77/55/650327755.db2.gz CHCOBERLHFTFNL-NSHDSACASA-N 1 0 385.249 2.243 20 0 GEADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(I)cn1 ZINC000456055614 650328890 /nfs/dbraw/zinc/32/88/90/650328890.db2.gz STOKADMMJYUFCH-FZMZJTMJSA-N 1 0 385.249 2.385 20 0 GEADRO COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000456131303 650331648 /nfs/dbraw/zinc/33/16/48/650331648.db2.gz QTIQNXHBUSNZAK-LSDHHAIUSA-N 1 0 399.285 2.224 20 0 GEADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000456177229 650332763 /nfs/dbraw/zinc/33/27/63/650332763.db2.gz XNLGOPGDBMTYAS-UHFFFAOYSA-N 1 0 395.305 2.275 20 0 GEADRO CC[NH+](CC)CCSCC(=O)Nc1cc(NS(C)(=O)=O)ccc1OC ZINC000456168147 650332778 /nfs/dbraw/zinc/33/27/78/650332778.db2.gz NTLGXQWKSHQBJK-UHFFFAOYSA-N 1 0 389.543 2.080 20 0 GEADRO C[NH+](C)CCCC(C)(C)NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000456210151 650334313 /nfs/dbraw/zinc/33/43/13/650334313.db2.gz WHBIUFYCQSYRHZ-UHFFFAOYSA-N 1 0 382.555 2.226 20 0 GEADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CNS(=O)(=O)c3cccs3)ccc21 ZINC000456278197 650335816 /nfs/dbraw/zinc/33/58/16/650335816.db2.gz OZKJWLKIYOGDKG-OAHLLOKOSA-N 1 0 379.507 2.214 20 0 GEADRO CC[NH+]1CCN(CC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000456283194 650336422 /nfs/dbraw/zinc/33/64/22/650336422.db2.gz YHHVDBWHJCEILU-OAHLLOKOSA-N 1 0 384.293 2.329 20 0 GEADRO CC[NH+](CC)CC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456470073 650341092 /nfs/dbraw/zinc/34/10/92/650341092.db2.gz ATWQRDCLOVHTMG-LBPRGKRZSA-N 1 0 375.282 2.197 20 0 GEADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000540063638 650348611 /nfs/dbraw/zinc/34/86/11/650348611.db2.gz XEMZFGGTZXDBFK-UHFFFAOYSA-N 1 0 384.267 2.186 20 0 GEADRO CC[C@H](C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456709963 650356550 /nfs/dbraw/zinc/35/65/50/650356550.db2.gz GBIXGHAOMXEPIM-SWLSCSKDSA-N 1 0 375.282 2.196 20 0 GEADRO CC(C)[C@H](C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456713586 650357107 /nfs/dbraw/zinc/35/71/07/650357107.db2.gz IRSZWQJBZDUVOJ-XJKSGUPXSA-N 1 0 389.309 2.442 20 0 GEADRO C[NH+](C)CC(C)(C)NC(=O)COc1cccc(I)c1 ZINC000457232937 650374432 /nfs/dbraw/zinc/37/44/32/650374432.db2.gz HYMHDUIYOTVYPB-UHFFFAOYSA-N 1 0 376.238 2.126 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1Br ZINC000500466929 650377944 /nfs/dbraw/zinc/37/79/44/650377944.db2.gz ZZOZJDSHFGCTJR-YGRLFVJLSA-N 1 0 379.295 2.396 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000457460272 650379266 /nfs/dbraw/zinc/37/92/66/650379266.db2.gz OBHUEBDVHNMOLC-HNNXBMFYSA-N 1 0 398.345 2.302 20 0 GEADRO COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000500572271 650380649 /nfs/dbraw/zinc/38/06/49/650380649.db2.gz QMTYNQDCHXGTDB-ABAIWWIYSA-N 1 0 391.331 2.265 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(Cl)c1 ZINC000500500568 650379880 /nfs/dbraw/zinc/37/98/80/650379880.db2.gz RIEAZEIIQLNGEC-INIZCTEOSA-N 1 0 385.961 2.439 20 0 GEADRO C[C@H](CC(F)(F)F)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000457762518 650383855 /nfs/dbraw/zinc/38/38/55/650383855.db2.gz UZEIXQKSPVDYBR-LLVKDONJSA-N 1 0 381.420 2.054 20 0 GEADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000501326449 650389830 /nfs/dbraw/zinc/38/98/30/650389830.db2.gz VSYZBQUCMSIBSC-CQSZACIVSA-N 1 0 380.432 2.488 20 0 GEADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CC[C@@](C)(F)C2)c1 ZINC000501390895 650390883 /nfs/dbraw/zinc/39/08/83/650390883.db2.gz FYFPOQBRRQAUFE-MRXNPFEDSA-N 1 0 391.896 2.353 20 0 GEADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC[C@@H]2CCC[N@H+]2C)cc1Br ZINC000458013745 650392797 /nfs/dbraw/zinc/39/27/97/650392797.db2.gz NNNGIPARVFNMBE-CVEARBPZSA-N 1 0 398.345 2.302 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H]2CCOc3c(Br)cccc32)C[C@H](C)O1 ZINC000501547343 650394735 /nfs/dbraw/zinc/39/47/35/650394735.db2.gz CKSWFSAWMHHCPD-OEUWWYETSA-N 1 0 399.329 2.332 20 0 GEADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)C[C@@H](C)O1 ZINC000501547347 650394753 /nfs/dbraw/zinc/39/47/53/650394753.db2.gz CKSWFSAWMHHCPD-VMUDFCTBSA-N 1 0 399.329 2.332 20 0 GEADRO CC(C)[C@H](C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000458130365 650396858 /nfs/dbraw/zinc/39/68/58/650396858.db2.gz FXWWXEBKIOIKRI-CZUORRHYSA-N 1 0 389.309 2.442 20 0 GEADRO C[NH+](C)CC1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000501829821 650397881 /nfs/dbraw/zinc/39/78/81/650397881.db2.gz MAZMWBCXIWSPHD-UHFFFAOYSA-N 1 0 396.289 2.096 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000458379522 650401395 /nfs/dbraw/zinc/40/13/95/650401395.db2.gz GQJUZNMPBXOOQD-AWEZNQCLSA-N 1 0 398.345 2.302 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)NC[C@H]1CCCC[N@H+]1CCO ZINC000458384494 650401605 /nfs/dbraw/zinc/40/16/05/650401605.db2.gz AALPCESEEKKOOM-MRXNPFEDSA-N 1 0 384.318 2.138 20 0 GEADRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000502457313 650406610 /nfs/dbraw/zinc/40/66/10/650406610.db2.gz WCDWLVYLXNTRHC-GDBMZVCRSA-N 1 0 388.555 2.064 20 0 GEADRO CS[C@@H]1CN(C(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000502494169 650407254 /nfs/dbraw/zinc/40/72/54/650407254.db2.gz MFGWDYAPSRZDTG-NFAWXSAZSA-N 1 0 379.423 2.046 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458689685 650407904 /nfs/dbraw/zinc/40/79/04/650407904.db2.gz NRSAZHALKHZMFK-INIZCTEOSA-N 1 0 384.318 2.404 20 0 GEADRO COC(=O)[C@]1(C)C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000503217641 650416246 /nfs/dbraw/zinc/41/62/46/650416246.db2.gz OQKGLSXEQJTNES-SUYBPPKGSA-N 1 0 386.286 2.320 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N1CCc2cc(Br)cc(F)c21 ZINC000458843106 650411434 /nfs/dbraw/zinc/41/14/34/650411434.db2.gz MKVMVMCSHGYYRK-UHFFFAOYSA-N 1 0 386.265 2.383 20 0 GEADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCc2ccc(Br)cc2Cl)C1 ZINC000458891061 650413619 /nfs/dbraw/zinc/41/36/19/650413619.db2.gz UMJAAJCMRZOAOE-OAHLLOKOSA-N 1 0 390.709 2.011 20 0 GEADRO CCN(CCC[NH+]1CCCC1)C(=O)NCCn1cc(Br)ccc1=O ZINC000458927393 650414789 /nfs/dbraw/zinc/41/47/89/650414789.db2.gz QGRNIOBVACSROU-UHFFFAOYSA-N 1 0 399.333 2.128 20 0 GEADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000458947567 650415220 /nfs/dbraw/zinc/41/52/20/650415220.db2.gz TVGRWVAGWKGABF-MLGOLLRUSA-N 1 0 390.311 2.469 20 0 GEADRO CC(C)[NH+](CCCNc1ncc(Br)cc1S(N)(=O)=O)C(C)C ZINC000503273608 650416681 /nfs/dbraw/zinc/41/66/81/650416681.db2.gz FTVWTCBRHZKFQW-UHFFFAOYSA-N 1 0 393.351 2.412 20 0 GEADRO CCOC[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C(C)C ZINC000503438744 650417446 /nfs/dbraw/zinc/41/74/46/650417446.db2.gz UHIWTGJOVOBPDK-HNNXBMFYSA-N 1 0 376.906 2.333 20 0 GEADRO CCCCN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1SCC)[C@H]1CCS(=O)(=O)C1 ZINC000503429695 650417487 /nfs/dbraw/zinc/41/74/87/650417487.db2.gz WCWAELDDSSDKIR-XHSDSOJGSA-N 1 0 376.588 2.066 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000459055616 650418447 /nfs/dbraw/zinc/41/84/47/650418447.db2.gz FRRDSKZKFWZUSP-BBRMVZONSA-N 1 0 388.281 2.187 20 0 GEADRO O=C(NCCc1cccc(Br)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000459156115 650420096 /nfs/dbraw/zinc/42/00/96/650420096.db2.gz WJQCVKUGFNQDDY-MRXNPFEDSA-N 1 0 384.318 2.138 20 0 GEADRO Cc1cc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1Br ZINC000459181469 650420585 /nfs/dbraw/zinc/42/05/85/650420585.db2.gz PCHIIPAKVNITCG-UHFFFAOYSA-N 1 0 384.318 2.356 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)[C@@H]1SC ZINC000459428967 650424282 /nfs/dbraw/zinc/42/42/82/650424282.db2.gz HHRQCVPVCOZTRK-BREBYQMCSA-N 1 0 384.976 2.178 20 0 GEADRO CCOc1cc(C[NH2+]C2(CCO)CCN(C)CC2)cc(Br)c1O ZINC000459486825 650425834 /nfs/dbraw/zinc/42/58/34/650425834.db2.gz XDAOMPVXKPUWTF-UHFFFAOYSA-N 1 0 387.318 2.490 20 0 GEADRO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000459530034 650427536 /nfs/dbraw/zinc/42/75/36/650427536.db2.gz AWTRZOKSAVWALQ-LSDHHAIUSA-N 1 0 379.448 2.327 20 0 GEADRO CCOc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc(Cl)c1O ZINC000459543491 650428004 /nfs/dbraw/zinc/42/80/04/650428004.db2.gz MIIJEOFUBHPFKX-JSGCOSHPSA-N 1 0 376.906 2.252 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)[C@H]1SC ZINC000459544089 650428020 /nfs/dbraw/zinc/42/80/20/650428020.db2.gz CSNHMOCKSAFYJA-IIAWOOMASA-N 1 0 392.974 2.425 20 0 GEADRO Cc1cc(I)ccc1NC(=O)CNC(C)(C)C[NH+](C)C ZINC000459546976 650428124 /nfs/dbraw/zinc/42/81/24/650428124.db2.gz JHAJKWQTRPDEDJ-UHFFFAOYSA-N 1 0 389.281 2.468 20 0 GEADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(O)c1Br ZINC000459549428 650428390 /nfs/dbraw/zinc/42/83/90/650428390.db2.gz RNEHOKMZNARCSW-AAEUAGOBSA-N 1 0 391.331 2.352 20 0 GEADRO C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459697839 650429846 /nfs/dbraw/zinc/42/98/46/650429846.db2.gz KNCRYIRLQXZDAR-DGCLKSJQSA-N 1 0 375.282 2.196 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459700149 650429863 /nfs/dbraw/zinc/42/98/63/650429863.db2.gz MNOUVJKFVDMGBI-YPMHNXCESA-N 1 0 396.322 2.152 20 0 GEADRO C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459697841 650429917 /nfs/dbraw/zinc/42/99/17/650429917.db2.gz KNCRYIRLQXZDAR-YPMHNXCESA-N 1 0 375.282 2.196 20 0 GEADRO O[C@@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)o1)Cn1ccnn1 ZINC000459702788 650429976 /nfs/dbraw/zinc/42/99/76/650429976.db2.gz RVNRQRBOXVKGDK-AWEZNQCLSA-N 1 0 377.242 2.451 20 0 GEADRO Brc1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)s1 ZINC000459713515 650430787 /nfs/dbraw/zinc/43/07/87/650430787.db2.gz OANAJTAKZAAKTR-UHFFFAOYSA-N 1 0 375.332 2.482 20 0 GEADRO CCCOc1c(Br)cc(CN2C[C@@H](O)[C@H](CO)C2)cc1OCC ZINC000459715977 650430811 /nfs/dbraw/zinc/43/08/11/650430811.db2.gz VLPQQTVZBAILBI-DZGCQCFKSA-N 1 0 388.302 2.422 20 0 GEADRO OCC1([NH2+]Cc2cn(-c3ccccc3Br)nn2)CCSCC1 ZINC000459720973 650431551 /nfs/dbraw/zinc/43/15/51/650431551.db2.gz GTSGUGILZVYRGO-UHFFFAOYSA-N 1 0 383.315 2.378 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000459926857 650435348 /nfs/dbraw/zinc/43/53/48/650435348.db2.gz KKFYKNQJQOMVOL-UHFFFAOYSA-N 1 0 396.329 2.208 20 0 GEADRO COCC[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000505018478 650434350 /nfs/dbraw/zinc/43/43/50/650434350.db2.gz KUMZDFRDMUUBQL-NVXWUHKLSA-N 1 0 390.311 2.437 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000459949595 650436369 /nfs/dbraw/zinc/43/63/69/650436369.db2.gz QVMJIUSEHCOCCP-MRXNPFEDSA-N 1 0 396.329 2.350 20 0 GEADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000505594426 650439050 /nfs/dbraw/zinc/43/90/50/650439050.db2.gz UGBIGHMJKNNEMY-UHFFFAOYSA-N 1 0 381.782 2.240 20 0 GEADRO C[NH+](C)CCn1nnnc1SCc1nc2cc(Br)ccc2o1 ZINC000505701031 650440049 /nfs/dbraw/zinc/44/00/49/650440049.db2.gz UDVCNVFVSNTLMS-UHFFFAOYSA-N 1 0 383.275 2.431 20 0 GEADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000460261955 650440921 /nfs/dbraw/zinc/44/09/21/650440921.db2.gz ZHZOMHFIMWBSOA-KRWDZBQOSA-N 1 0 384.318 2.093 20 0 GEADRO CC[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)Cc1cccc(Br)c1 ZINC000460272567 650441280 /nfs/dbraw/zinc/44/12/80/650441280.db2.gz ZDXYQKKIHYNFRH-KBXCAEBGSA-N 1 0 398.345 2.384 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000506012513 650442713 /nfs/dbraw/zinc/44/27/13/650442713.db2.gz NYLJUEZQRLCNKZ-AWEZNQCLSA-N 1 0 395.301 2.183 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000461638679 650457941 /nfs/dbraw/zinc/45/79/41/650457941.db2.gz XXZQDZHDOWFXOV-KBPBESRZSA-N 1 0 389.949 2.243 20 0 GEADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000461905655 650462253 /nfs/dbraw/zinc/46/22/53/650462253.db2.gz BKGOWHHUTCZLBB-CQSZACIVSA-N 1 0 376.906 2.113 20 0 GEADRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc(Br)cc2O)CCCO1 ZINC000507565756 650462992 /nfs/dbraw/zinc/46/29/92/650462992.db2.gz JZOCNCXZZHCWLJ-CYBMUJFWSA-N 1 0 385.302 2.314 20 0 GEADRO CC[NH+]1CCN(CC(=O)NCC(C)(C)c2cccc(Br)c2)CC1 ZINC000462018156 650464156 /nfs/dbraw/zinc/46/41/56/650464156.db2.gz ZTENJVSFHYJVEA-UHFFFAOYSA-N 1 0 382.346 2.480 20 0 GEADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(Br)cn1)C(C)(C)C ZINC000462137500 650470441 /nfs/dbraw/zinc/47/04/41/650470441.db2.gz FPUXSVVSCZNIQL-GFCCVEGCSA-N 1 0 378.336 2.489 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(Br)cn1 ZINC000462279468 650473517 /nfs/dbraw/zinc/47/35/17/650473517.db2.gz KUBCSRRUYDWAPU-RYUDHWBXSA-N 1 0 376.320 2.385 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000462346044 650476617 /nfs/dbraw/zinc/47/66/17/650476617.db2.gz BQTCMSFSGKLFJU-CABCVRRESA-N 1 0 385.302 2.212 20 0 GEADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462410833 650478375 /nfs/dbraw/zinc/47/83/75/650478375.db2.gz PZBBZHQQWLDJKC-ZDUSSCGKSA-N 1 0 381.242 2.101 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000462469763 650480962 /nfs/dbraw/zinc/48/09/62/650480962.db2.gz REYWTXGQXJOBID-HOTGVXAUSA-N 1 0 389.587 2.246 20 0 GEADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cn1 ZINC000462486570 650481843 /nfs/dbraw/zinc/48/18/43/650481843.db2.gz BVGIBPBYHLRTQS-GFCCVEGCSA-N 1 0 386.905 2.153 20 0 GEADRO CSC1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)CC[NH+](C)CC1 ZINC000462507826 650482220 /nfs/dbraw/zinc/48/22/20/650482220.db2.gz VJLUFCLYTSTRMI-STQMWFEESA-N 1 0 383.480 2.016 20 0 GEADRO C[N@H+](CCNS(=O)(=O)c1ccc(Br)cn1)C1CCCCC1 ZINC000462534355 650483160 /nfs/dbraw/zinc/48/31/60/650483160.db2.gz DVINNBXUQGHQLU-UHFFFAOYSA-N 1 0 376.320 2.387 20 0 GEADRO CC[NH+](CC)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508891162 650484207 /nfs/dbraw/zinc/48/42/07/650484207.db2.gz ASYRRZOJXYYYFC-UHFFFAOYSA-N 1 0 383.297 2.400 20 0 GEADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000462643571 650486620 /nfs/dbraw/zinc/48/66/20/650486620.db2.gz RTWWPSMAJSKUGQ-KRWDZBQOSA-N 1 0 377.901 2.445 20 0 GEADRO CSc1cccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000509205132 650489951 /nfs/dbraw/zinc/48/99/51/650489951.db2.gz ZZONBRCJEAMRIU-CRAIPNDOSA-N 1 0 383.583 2.055 20 0 GEADRO CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2ccsc2)CC1 ZINC000508856956 650484148 /nfs/dbraw/zinc/48/41/48/650484148.db2.gz OCTFGVKSAIHXSY-UHFFFAOYSA-N 1 0 379.551 2.364 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@@H]1[NH+]1CCCC1 ZINC000509291053 650492784 /nfs/dbraw/zinc/49/27/84/650492784.db2.gz YHEWLRINGUFEFM-NWDGAFQWSA-N 1 0 398.447 2.443 20 0 GEADRO CCN1CCN(C(=O)[C@@H](C)[N@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463412747 650495087 /nfs/dbraw/zinc/49/50/87/650495087.db2.gz JEBIVQKDRWKKDQ-OAHLLOKOSA-N 1 0 382.346 2.476 20 0 GEADRO C[C@@H]1CN(C(=O)COc2ccc(I)cc2)[C@@H](C)C[N@@H+]1C ZINC000509639555 650498137 /nfs/dbraw/zinc/49/81/37/650498137.db2.gz KRYNRXBSZHHMBG-NEPJUHHUSA-N 1 0 388.249 2.221 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NCc2cn3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000465704756 650498815 /nfs/dbraw/zinc/49/88/15/650498815.db2.gz KJZAKDYOCPYJBN-AAEUAGOBSA-N 1 0 380.290 2.379 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCc2cn3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000465704757 650498906 /nfs/dbraw/zinc/49/89/06/650498906.db2.gz KJZAKDYOCPYJBN-DGCLKSJQSA-N 1 0 380.290 2.379 20 0 GEADRO CC[NH+]1CCN(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000509834228 650501643 /nfs/dbraw/zinc/50/16/43/650501643.db2.gz UVVAHTWZGWSRHZ-UHFFFAOYSA-N 1 0 387.311 2.028 20 0 GEADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000468060415 650503598 /nfs/dbraw/zinc/50/35/98/650503598.db2.gz PSXUPSYPMIYESL-ZDUSSCGKSA-N 1 0 396.285 2.310 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C(C)C ZINC000469496020 650510752 /nfs/dbraw/zinc/51/07/52/650510752.db2.gz ORIIWCDPNDXUNU-GJZGRUSLSA-N 1 0 375.604 2.124 20 0 GEADRO Cc1ccc(NC(=O)CSc2nnnn2CC[NH+](C)C)c(Br)c1 ZINC000510098651 650506793 /nfs/dbraw/zinc/50/67/93/650506793.db2.gz LFVKRABMOVPCOQ-UHFFFAOYSA-N 1 0 399.318 2.036 20 0 GEADRO C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1CCCOC1 ZINC000510104006 650506815 /nfs/dbraw/zinc/50/68/15/650506815.db2.gz WJVXTDFDBMNELW-CQSZACIVSA-N 1 0 387.311 2.148 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000510205437 650508554 /nfs/dbraw/zinc/50/85/54/650508554.db2.gz DLYMUXLJVHOPSD-AWEZNQCLSA-N 1 0 398.301 2.083 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c(Br)c1 ZINC000510375758 650511053 /nfs/dbraw/zinc/51/10/53/650511053.db2.gz KADNSFOUVHXXBL-UHFFFAOYSA-N 1 0 398.301 2.196 20 0 GEADRO Cn1c2ccc(C[NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)cc2oc1=O ZINC000510245175 650508922 /nfs/dbraw/zinc/50/89/22/650508922.db2.gz VUEVGPHSJLBPRM-UHFFFAOYSA-N 1 0 380.853 2.348 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@H+](CC)CCO ZINC000470279433 650512475 /nfs/dbraw/zinc/51/24/75/650512475.db2.gz KSUJXYGPEVHETP-HNNXBMFYSA-N 1 0 386.334 2.384 20 0 GEADRO COc1ccc(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c(Br)c1 ZINC000470349345 650513487 /nfs/dbraw/zinc/51/34/87/650513487.db2.gz HQPBBPYBRUASHS-GFCCVEGCSA-N 1 0 386.290 2.378 20 0 GEADRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Br ZINC000510781431 650518810 /nfs/dbraw/zinc/51/88/10/650518810.db2.gz UBMYFJAVEMDZLK-UONOGXRCSA-N 1 0 391.331 2.408 20 0 GEADRO C[C@@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)N1CC[NH+](C)CC1 ZINC000511049175 650524136 /nfs/dbraw/zinc/52/41/36/650524136.db2.gz SLFXYGPYZHQKKO-LBPRGKRZSA-N 1 0 379.302 2.296 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1)[NH+](C)C ZINC000475304079 650531451 /nfs/dbraw/zinc/53/14/51/650531451.db2.gz JUTUWPJRIVBZIH-SNVBAGLBSA-N 1 0 384.267 2.184 20 0 GEADRO COc1ccc2nc(CN3CCC[C@@H](CN(C)S(C)(=O)=O)C3)sc2c1 ZINC000511126270 650527389 /nfs/dbraw/zinc/52/73/89/650527389.db2.gz OPMRNUVYSOHWOM-ZDUSSCGKSA-N 1 0 383.539 2.408 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000474102495 650527620 /nfs/dbraw/zinc/52/76/20/650527620.db2.gz FOBXQWMEWGUYHG-WDEREUQCSA-N 1 0 377.304 2.219 20 0 GEADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000474110645 650528205 /nfs/dbraw/zinc/52/82/05/650528205.db2.gz ASQPLQDGXIRVOF-UHFFFAOYSA-N 1 0 397.360 2.242 20 0 GEADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000511196220 650529126 /nfs/dbraw/zinc/52/91/26/650529126.db2.gz DAJYCCLZDKIIGM-UHFFFAOYSA-N 1 0 383.286 2.201 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000475265793 650530534 /nfs/dbraw/zinc/53/05/34/650530534.db2.gz BRIDOFLFHPZKMT-GHMZBOCLSA-N 1 0 386.265 2.434 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000475265794 650530559 /nfs/dbraw/zinc/53/05/59/650530559.db2.gz BRIDOFLFHPZKMT-MNOVXSKESA-N 1 0 386.265 2.434 20 0 GEADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cncc(Br)c1 ZINC000511318739 650533372 /nfs/dbraw/zinc/53/33/72/650533372.db2.gz FGQYRTCBDQSALK-UHFFFAOYSA-N 1 0 376.320 2.341 20 0 GEADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000475656608 650535810 /nfs/dbraw/zinc/53/58/10/650535810.db2.gz OVPDCTQGDNDAJJ-CQSZACIVSA-N 1 0 395.301 2.246 20 0 GEADRO CN1CCN(C(=O)C[N@@H+](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000475750414 650537174 /nfs/dbraw/zinc/53/71/74/650537174.db2.gz SYMYZTRQCFPCPP-UHFFFAOYSA-N 1 0 380.330 2.435 20 0 GEADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000511590532 650539125 /nfs/dbraw/zinc/53/91/25/650539125.db2.gz CECVAHLEIMGROH-VXGBXAGGSA-N 1 0 377.409 2.462 20 0 GEADRO C[NH+](C)CCOC1CCN(c2ncccc2I)CC1 ZINC000476130208 650544698 /nfs/dbraw/zinc/54/46/98/650544698.db2.gz CJYHCQIZAOVZDO-UHFFFAOYSA-N 1 0 375.254 2.233 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N(C)CC[NH+](C)C ZINC000476046600 650543788 /nfs/dbraw/zinc/54/37/88/650543788.db2.gz SQBOZWTVWXUQST-UHFFFAOYSA-N 1 0 385.306 2.289 20 0 GEADRO COCc1cnc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000512557851 650550431 /nfs/dbraw/zinc/55/04/31/650550431.db2.gz YWTCELNQRIBOHO-GFCCVEGCSA-N 1 0 387.552 2.151 20 0 GEADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512370310 650547073 /nfs/dbraw/zinc/54/70/73/650547073.db2.gz OVXSXHCNNYQSBJ-UKRRQHHQSA-N 1 0 385.302 2.179 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000512860611 650555401 /nfs/dbraw/zinc/55/54/01/650555401.db2.gz JXDLJUMSRRBQRP-UKRRQHHQSA-N 1 0 388.917 2.309 20 0 GEADRO COc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c(SC)cc1OC ZINC000512988958 650555955 /nfs/dbraw/zinc/55/59/55/650555955.db2.gz NJQRNIDBHPCJII-AWEZNQCLSA-N 1 0 388.555 2.329 20 0 GEADRO Cc1csc(N2CCC([NH2+]C3CCN(S(=O)(=O)C(C)C)CC3)CC2)n1 ZINC000513032006 650556717 /nfs/dbraw/zinc/55/67/17/650556717.db2.gz YSLXYVJSCWROSH-UHFFFAOYSA-N 1 0 386.587 2.213 20 0 GEADRO COC(=O)C[C@](C)([NH2+]CCN1CCOCC1)c1ccc(Br)cc1 ZINC000513117234 650557898 /nfs/dbraw/zinc/55/78/98/650557898.db2.gz QTHTXWMKAGEWGI-KRWDZBQOSA-N 1 0 385.302 2.149 20 0 GEADRO C[NH+](C)CCN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000476819014 650560707 /nfs/dbraw/zinc/56/07/07/650560707.db2.gz HLQDSMAUSQCNEH-ZDUSSCGKSA-N 1 0 394.313 2.355 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000477100319 650568522 /nfs/dbraw/zinc/56/85/22/650568522.db2.gz NMYGZESWEDERRQ-KBPBESRZSA-N 1 0 398.345 2.343 20 0 GEADRO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513887456 650570968 /nfs/dbraw/zinc/57/09/68/650570968.db2.gz FUPSLOYWRJDZOI-LLVKDONJSA-N 1 0 394.324 2.145 20 0 GEADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000477219377 650572028 /nfs/dbraw/zinc/57/20/28/650572028.db2.gz UOGXUEISDJJPKI-UHFFFAOYSA-N 1 0 396.329 2.430 20 0 GEADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000477030513 650566804 /nfs/dbraw/zinc/56/68/04/650566804.db2.gz FLZCNULAVJHTTM-ZJUUUORDSA-N 1 0 380.436 2.186 20 0 GEADRO COc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513962985 650572280 /nfs/dbraw/zinc/57/22/80/650572280.db2.gz IZAXUVHCSHHBGZ-GFCCVEGCSA-N 1 0 391.331 2.171 20 0 GEADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000514100736 650573545 /nfs/dbraw/zinc/57/35/45/650573545.db2.gz AUICOTUVSMHCIE-XJKSGUPXSA-N 1 0 375.922 2.154 20 0 GEADRO CC[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1CC(F)F ZINC000477467466 650574601 /nfs/dbraw/zinc/57/46/01/650574601.db2.gz JIPVEAVDCMDLKV-HNNXBMFYSA-N 1 0 375.485 2.098 20 0 GEADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000514614955 650575062 /nfs/dbraw/zinc/57/50/62/650575062.db2.gz MQKQDDGHOJVEHW-UHFFFAOYSA-N 1 0 377.279 2.480 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000514726609 650577891 /nfs/dbraw/zinc/57/78/91/650577891.db2.gz XLQZHLBRTKIHGY-GHMZBOCLSA-N 1 0 397.324 2.376 20 0 GEADRO CC(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000514754634 650578370 /nfs/dbraw/zinc/57/83/70/650578370.db2.gz RLFIEQGSKVDXNW-AWEZNQCLSA-N 1 0 394.313 2.355 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000515084535 650586436 /nfs/dbraw/zinc/58/64/36/650586436.db2.gz KVNSQHXUUAGRNN-UHFFFAOYSA-N 1 0 396.329 2.182 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)NCc1c(OC)cccc1OC(F)(F)F ZINC000515019544 650584647 /nfs/dbraw/zinc/58/46/47/650584647.db2.gz MIDLGFCACGEHGR-UHFFFAOYSA-N 1 0 384.420 2.355 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(c3ncnc4cccc(I)c43)C[C@H]12 ZINC000515146442 650587606 /nfs/dbraw/zinc/58/76/06/650587606.db2.gz QJGOESBTNXORSR-JBLDHEPKSA-N 1 0 380.233 2.408 20 0 GEADRO COc1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccc1Br ZINC000515150037 650587855 /nfs/dbraw/zinc/58/78/55/650587855.db2.gz VXRZLHMSCNOMAH-NSHDSACASA-N 1 0 379.320 2.465 20 0 GEADRO CC(=O)N[C@@H](CC(=O)N(C)C1(C[NH3+])CCC1)c1ccc(Br)cc1 ZINC000515174038 650588570 /nfs/dbraw/zinc/58/85/70/650588570.db2.gz CQZXMBKRTXHNJF-HNNXBMFYSA-N 1 0 382.302 2.356 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CCO1 ZINC000478606471 650588660 /nfs/dbraw/zinc/58/86/60/650588660.db2.gz DGKMOIUBSGSVRV-INIZCTEOSA-N 1 0 382.869 2.481 20 0 GEADRO CC(=O)N[C@H](CC(=O)N(C)C1(C[NH3+])CCC1)c1ccc(Br)cc1 ZINC000515174039 650588711 /nfs/dbraw/zinc/58/87/11/650588711.db2.gz CQZXMBKRTXHNJF-OAHLLOKOSA-N 1 0 382.302 2.356 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CCO1 ZINC000478606472 650588745 /nfs/dbraw/zinc/58/87/45/650588745.db2.gz DGKMOIUBSGSVRV-MRXNPFEDSA-N 1 0 382.869 2.481 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000515221022 650589832 /nfs/dbraw/zinc/58/98/32/650589832.db2.gz LZODZVJRHAPKPA-BXUZGUMPSA-N 1 0 398.301 2.360 20 0 GEADRO O=C(Cc1cc2c(cc1Br)OCCO2)NCC[C@@H]1CCC[NH2+]C1 ZINC000515346695 650592059 /nfs/dbraw/zinc/59/20/59/650592059.db2.gz VGAZQGOBLDOZLB-LBPRGKRZSA-N 1 0 383.286 2.269 20 0 GEADRO COCC1(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000479138467 650597237 /nfs/dbraw/zinc/59/72/37/650597237.db2.gz QKPHBMMORZRXSU-ZDUSSCGKSA-N 1 0 385.302 2.349 20 0 GEADRO [NH3+][C@H](CC(F)F)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000516568476 650598987 /nfs/dbraw/zinc/59/89/87/650598987.db2.gz GXNHPSKLRYTAMR-LLVKDONJSA-N 1 0 375.803 2.205 20 0 GEADRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479319709 650601233 /nfs/dbraw/zinc/60/12/33/650601233.db2.gz GZWHYBLUTSDPHA-MNOVXSKESA-N 1 0 399.340 2.325 20 0 GEADRO C[C@H]([NH2+]CCc1cnccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479411642 650603093 /nfs/dbraw/zinc/60/30/93/650603093.db2.gz UEIQKOHKZKPZBY-VIFPVBQESA-N 1 0 375.281 2.324 20 0 GEADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000479418109 650603343 /nfs/dbraw/zinc/60/33/43/650603343.db2.gz GNNGTVXLRLWMOF-UHFFFAOYSA-N 1 0 393.958 2.438 20 0 GEADRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479425590 650603439 /nfs/dbraw/zinc/60/34/39/650603439.db2.gz WZMKUYDSFJKPMQ-UWVGGRQHSA-N 1 0 385.313 2.343 20 0 GEADRO CO[C@]1(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCOC1 ZINC000479433023 650603463 /nfs/dbraw/zinc/60/34/63/650603463.db2.gz XDSZSEXJEVVAIG-OTYXRUKQSA-N 1 0 383.297 2.097 20 0 GEADRO CCC[C@H](C)NS(=O)(=O)c1ccc(NC[C@]2([NH+](C)C)CCSC2)nc1 ZINC000479446770 650603935 /nfs/dbraw/zinc/60/39/35/650603935.db2.gz OJUGBRRWXPNGMO-WMLDXEAASA-N 1 0 386.587 2.398 20 0 GEADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000518385954 650604298 /nfs/dbraw/zinc/60/42/98/650604298.db2.gz AHJPCJIUAWHXIH-SNVBAGLBSA-N 1 0 382.404 2.288 20 0 GEADRO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000518395694 650604340 /nfs/dbraw/zinc/60/43/40/650604340.db2.gz NWVKULHZWAMHIP-BBRMVZONSA-N 1 0 382.302 2.084 20 0 GEADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000518531912 650605498 /nfs/dbraw/zinc/60/54/98/650605498.db2.gz HMSVEJALKYKMIP-JTQLQIEISA-N 1 0 381.723 2.474 20 0 GEADRO C[N@H+](CC(=O)NCCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCSC1 ZINC000479761790 650609423 /nfs/dbraw/zinc/60/94/23/650609423.db2.gz CQKHPEBHPBWISJ-CYBMUJFWSA-N 1 0 377.432 2.119 20 0 GEADRO C[NH+](C)C1(CNC(=O)N(CCO)Cc2ccc(Br)s2)CCC1 ZINC000479766976 650609829 /nfs/dbraw/zinc/60/98/29/650609829.db2.gz GUSGWMAGPUOMJT-UHFFFAOYSA-N 1 0 390.347 2.499 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2Br)C[C@H]1C ZINC000519694901 650610787 /nfs/dbraw/zinc/61/07/87/650610787.db2.gz RKZRSDOFYOHKSS-UKRRQHHQSA-N 1 0 396.329 2.397 20 0 GEADRO O=C(CC[NH2+]CCNS(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1 ZINC000520219707 650614068 /nfs/dbraw/zinc/61/40/68/650614068.db2.gz KIBOFFQLMWIDSP-UHFFFAOYSA-N 1 0 387.914 2.298 20 0 GEADRO C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ncc(Br)cn1 ZINC000519813026 650613173 /nfs/dbraw/zinc/61/31/73/650613173.db2.gz DLPVWMPCWIBYII-TUKIKUTGSA-N 1 0 390.285 2.355 20 0 GEADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)C[C@@H]3COCCN3)C2=O)ccc1Br ZINC000521423705 650617295 /nfs/dbraw/zinc/61/72/95/650617295.db2.gz IPZTWPKFRXVEMI-CPUCHLNUSA-N 1 0 396.329 2.219 20 0 GEADRO COc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c(Br)c1 ZINC000480336254 650620307 /nfs/dbraw/zinc/62/03/07/650620307.db2.gz MBEYCIVAZMXNNV-UHFFFAOYSA-N 1 0 377.304 2.220 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCN(C3CC3)C2)c2cc(Br)ccc21 ZINC000480207956 650617646 /nfs/dbraw/zinc/61/76/46/650617646.db2.gz GLNPEGHZCPPFDC-WFASDCNBSA-N 1 0 385.327 2.494 20 0 GEADRO COc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(Br)c1 ZINC000521941862 650620502 /nfs/dbraw/zinc/62/05/02/650620502.db2.gz NASBHTCZMGOABE-KRWDZBQOSA-N 1 0 396.329 2.196 20 0 GEADRO C[C@]1(c2ccc(C[NH2+]Cc3ccc(Br)cn3)cc2)NC(=O)NC1=O ZINC000522247824 650623977 /nfs/dbraw/zinc/62/39/77/650623977.db2.gz JKWCCXUCVYTRLF-QGZVFWFLSA-N 1 0 389.253 2.189 20 0 GEADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000480647885 650626727 /nfs/dbraw/zinc/62/67/27/650626727.db2.gz PEFXYEHAJKHKRH-BXUZGUMPSA-N 1 0 391.331 2.418 20 0 GEADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000480721012 650629262 /nfs/dbraw/zinc/62/92/62/650629262.db2.gz UOVAELCTIQDMLV-UONOGXRCSA-N 1 0 382.473 2.458 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)C1 ZINC000522974517 650629984 /nfs/dbraw/zinc/62/99/84/650629984.db2.gz QNQYEHHEWULRDC-XHSDSOJGSA-N 1 0 382.302 2.325 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000522974516 650630023 /nfs/dbraw/zinc/63/00/23/650630023.db2.gz QNQYEHHEWULRDC-JYJNAYRXSA-N 1 0 382.302 2.325 20 0 GEADRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(OC)cc1Br ZINC000480753804 650631003 /nfs/dbraw/zinc/63/10/03/650631003.db2.gz BVDNANGUVJYCNQ-UHFFFAOYSA-N 1 0 379.320 2.468 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000523205620 650632716 /nfs/dbraw/zinc/63/27/16/650632716.db2.gz KEFRVSAZWSBXCS-CYBMUJFWSA-N 1 0 382.302 2.258 20 0 GEADRO CC[N@H+](CCNC(=O)CN(C)C(=O)c1ccc(Br)s1)C(C)C ZINC000523290846 650633398 /nfs/dbraw/zinc/63/33/98/650633398.db2.gz GMJQTWYWITVOBM-UHFFFAOYSA-N 1 0 390.347 2.429 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NC2(c3ccc(Br)cc3)CC2)C1 ZINC000523428953 650634735 /nfs/dbraw/zinc/63/47/35/650634735.db2.gz DIMBHYCOUYWLMX-HNNXBMFYSA-N 1 0 382.302 2.458 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000524262897 650639819 /nfs/dbraw/zinc/63/98/19/650639819.db2.gz RXMGEHWOUGYJGS-LBPRGKRZSA-N 1 0 388.295 2.076 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)NCCOc1cccc(Br)c1 ZINC000524597304 650643544 /nfs/dbraw/zinc/64/35/44/650643544.db2.gz SHBAXWABHMAOEL-UHFFFAOYSA-N 1 0 388.306 2.048 20 0 GEADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000481340487 650644521 /nfs/dbraw/zinc/64/45/21/650644521.db2.gz NOLFMBGBRDESGX-AWEZNQCLSA-N 1 0 393.372 2.473 20 0 GEADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2sccc2OC(F)F)CC1 ZINC000524684956 650644938 /nfs/dbraw/zinc/64/49/38/650644938.db2.gz KBFCATNDHOQYKT-UHFFFAOYSA-N 1 0 375.441 2.022 20 0 GEADRO O=C(CCSc1ccc2c(c1)OCCCO2)NCC[NH+]1CCSCC1 ZINC000524967949 650648953 /nfs/dbraw/zinc/64/89/53/650648953.db2.gz ZDUQNPWJNWVCLP-UHFFFAOYSA-N 1 0 382.551 2.495 20 0 GEADRO COC(=O)CCNC(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481765760 650652686 /nfs/dbraw/zinc/65/26/86/650652686.db2.gz KGVMBSAGYMXEFT-MRXNPFEDSA-N 1 0 387.249 2.308 20 0 GEADRO C[N@H+](CC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)[C@@H]1CCSC1 ZINC000481832816 650654257 /nfs/dbraw/zinc/65/42/57/650654257.db2.gz VNFYZADSWFQXPD-MRXNPFEDSA-N 1 0 381.929 2.062 20 0 GEADRO CN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000525620120 650655283 /nfs/dbraw/zinc/65/52/83/650655283.db2.gz CFMBJTAQMKHTFT-LBPRGKRZSA-N 1 0 378.270 2.457 20 0 GEADRO CC[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481919843 650656112 /nfs/dbraw/zinc/65/61/12/650656112.db2.gz IWDOTVPASINLLR-HOCLYGCPSA-N 1 0 390.933 2.076 20 0 GEADRO CC[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481992009 650657922 /nfs/dbraw/zinc/65/79/22/650657922.db2.gz MSAAFJSLTCSMKS-JKSUJKDBSA-N 1 0 390.933 2.076 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482004899 650658070 /nfs/dbraw/zinc/65/80/70/650658070.db2.gz XBLNHEKVTFUYHI-BZUAXINKSA-N 1 0 390.933 2.483 20 0 GEADRO COCCC[NH+]1CCC(NC(=O)Nc2ccnc(C)c2Br)CC1 ZINC000525845930 650659023 /nfs/dbraw/zinc/65/90/23/650659023.db2.gz GHLRPNXLKKLTHL-UHFFFAOYSA-N 1 0 385.306 2.197 20 0 GEADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000525850372 650659599 /nfs/dbraw/zinc/65/95/99/650659599.db2.gz SRWDIJNHCCCLMC-HZPDHXFCSA-N 1 0 382.302 2.327 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000482103373 650659901 /nfs/dbraw/zinc/65/99/01/650659901.db2.gz MVFKPOLHJNZZGZ-MRXNPFEDSA-N 1 0 375.604 2.304 20 0 GEADRO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000526295977 650664422 /nfs/dbraw/zinc/66/44/22/650664422.db2.gz JFRQNZDHHORLDP-YWPYICTPSA-N 1 0 376.266 2.421 20 0 GEADRO Cn1c2ccc(C[NH2+]Cc3ccc(CS(C)(=O)=O)cc3)cc2sc1=O ZINC000527233141 650671963 /nfs/dbraw/zinc/67/19/63/650671963.db2.gz YSXWRIYXKOBAFG-UHFFFAOYSA-N 1 0 376.503 2.434 20 0 GEADRO CSCC[N@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000483312102 650676825 /nfs/dbraw/zinc/67/68/25/650676825.db2.gz RPQFNBJWVGXFJG-UHFFFAOYSA-N 1 0 377.341 2.332 20 0 GEADRO O=C(NCc1n[nH]cc1Br)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527454215 650675855 /nfs/dbraw/zinc/67/58/55/650675855.db2.gz CSMIYURXLKYEDL-CQSZACIVSA-N 1 0 392.301 2.494 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000483940548 650683287 /nfs/dbraw/zinc/68/32/87/650683287.db2.gz DHFRQTKUHSOZPB-WDEREUQCSA-N 1 0 386.265 2.434 20 0 GEADRO C[C@@H](CNCc1ncc(Cl)cc1Br)C[NH+]1CCN(C)CC1 ZINC000527650848 650681353 /nfs/dbraw/zinc/68/13/53/650681353.db2.gz AIVAJJYIEXHKQG-LBPRGKRZSA-N 1 0 375.742 2.471 20 0 GEADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ncc(Cl)cc1Br ZINC000527676074 650681922 /nfs/dbraw/zinc/68/19/22/650681922.db2.gz WENKUQUGKVQSRG-JOYOIKCWSA-N 1 0 396.738 2.305 20 0 GEADRO COc1ccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1Br ZINC000527751483 650681951 /nfs/dbraw/zinc/68/19/51/650681951.db2.gz CDKUBJXMBAVVQZ-GOSISDBHSA-N 1 0 399.329 2.163 20 0 GEADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000483915657 650683152 /nfs/dbraw/zinc/68/31/52/650683152.db2.gz OTLBZPIYKUPANJ-UHFFFAOYSA-N 1 0 392.283 2.025 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H](C)[NH+]3CCCC3)c(Cl)cc21 ZINC000528302435 650687833 /nfs/dbraw/zinc/68/78/33/650687833.db2.gz OQEFHNWNFBUONP-LBPRGKRZSA-N 1 0 385.917 2.012 20 0 GEADRO CCO[C@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000484656246 650688759 /nfs/dbraw/zinc/68/87/59/650688759.db2.gz ZQRDWCISSOGIPC-GJZGRUSLSA-N 1 0 392.315 2.006 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2Br)[C@@H](C)C1 ZINC000484718888 650689044 /nfs/dbraw/zinc/68/90/44/650689044.db2.gz KAMDYPHFDGDSBB-RYUDHWBXSA-N 1 0 388.281 2.185 20 0 GEADRO CC[C@H](C(=O)NC[C@@H](O)COc1ccccc1Br)[NH+](CC)CC ZINC000483996196 650684097 /nfs/dbraw/zinc/68/40/97/650684097.db2.gz WJIJGTLTKDJJLM-UKRRQHHQSA-N 1 0 387.318 2.425 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])c(Cl)cc21 ZINC000528044776 650684699 /nfs/dbraw/zinc/68/46/99/650684699.db2.gz ZSJBRBMGROFTFW-XHDPSFHLSA-N 1 0 385.917 2.139 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCCC[C@H]3[C@H](C)[NH3+])c(Cl)cc21 ZINC000528044775 650684714 /nfs/dbraw/zinc/68/47/14/650684714.db2.gz ZSJBRBMGROFTFW-NHYWBVRUSA-N 1 0 385.917 2.139 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000484920636 650691196 /nfs/dbraw/zinc/69/11/96/650691196.db2.gz XLDNQNCKJOEBTK-SDDRHHMPSA-N 1 0 387.265 2.287 20 0 GEADRO C[C@@H]1[C@@H](NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCC[N@@H+]1C ZINC000485074846 650692901 /nfs/dbraw/zinc/69/29/01/650692901.db2.gz CAFQYWSSEWWECQ-PWSUYJOCSA-N 1 0 380.901 2.165 20 0 GEADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@H](O)COCc1ccco1 ZINC000485125198 650693479 /nfs/dbraw/zinc/69/34/79/650693479.db2.gz SBJGTJHXODNSQT-LBPRGKRZSA-N 1 0 390.299 2.476 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000485194495 650694174 /nfs/dbraw/zinc/69/41/74/650694174.db2.gz IAXIUBSAKMFYDX-TZMCWYRMSA-N 1 0 385.917 2.261 20 0 GEADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)c1Br ZINC000528692531 650698227 /nfs/dbraw/zinc/69/82/27/650698227.db2.gz PPQCFVGQCYZWAT-GFCCVEGCSA-N 1 0 381.274 2.215 20 0 GEADRO CC(C)[C@@H](CNC(=O)c1cc(O)cc(Br)c1)[NH+]1CCN(C)CC1 ZINC000528556316 650696711 /nfs/dbraw/zinc/69/67/11/650696711.db2.gz WICGMHJWNAODAP-MRXNPFEDSA-N 1 0 384.318 2.157 20 0 GEADRO COc1c(Br)cc(Cl)cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000528680452 650697685 /nfs/dbraw/zinc/69/76/85/650697685.db2.gz NHXJEPIARYRIAB-SECBINFHSA-N 1 0 378.654 2.221 20 0 GEADRO CC[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1cc(F)cc(Br)c1 ZINC000485692899 650699136 /nfs/dbraw/zinc/69/91/36/650699136.db2.gz GVHSKHYUGODEDY-CQSZACIVSA-N 1 0 384.249 2.227 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c(OC)s1 ZINC000485698575 650699161 /nfs/dbraw/zinc/69/91/61/650699161.db2.gz VQMJLQKIEDRMLW-QWHCGFSZSA-N 1 0 380.304 2.429 20 0 GEADRO C[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Oc1cccc(Br)c1 ZINC000485801266 650700445 /nfs/dbraw/zinc/70/04/45/650700445.db2.gz YXZYHRPDNUZMBI-NWDGAFQWSA-N 1 0 393.285 2.446 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000485831750 650701216 /nfs/dbraw/zinc/70/12/16/650701216.db2.gz VZJRZSAQYVONLI-SWLSCSKDSA-N 1 0 384.307 2.476 20 0 GEADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000485849500 650701344 /nfs/dbraw/zinc/70/13/44/650701344.db2.gz VLRDDHPHOXAZTC-IAGOWNOFSA-N 1 0 384.307 2.283 20 0 GEADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529323015 650702738 /nfs/dbraw/zinc/70/27/38/650702738.db2.gz CFLBNBXXXZYINE-IAQYHMDHSA-N 1 0 382.302 2.360 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000529342373 650702839 /nfs/dbraw/zinc/70/28/39/650702839.db2.gz MGYHDMATVBZPQP-CYBMUJFWSA-N 1 0 380.286 2.389 20 0 GEADRO C[C@@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1cc(F)c(Br)cc1F ZINC000529347910 650703214 /nfs/dbraw/zinc/70/32/14/650703214.db2.gz FESDWXRMPMFQLA-NXEZZACHSA-N 1 0 391.260 2.073 20 0 GEADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529347697 650703251 /nfs/dbraw/zinc/70/32/51/650703251.db2.gz BBLUBZVWTIYCGT-CABCVRRESA-N 1 0 382.302 2.409 20 0 GEADRO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529350464 650703521 /nfs/dbraw/zinc/70/35/21/650703521.db2.gz JQJPRIWVEHIKTO-KBPBESRZSA-N 1 0 386.265 2.205 20 0 GEADRO C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1CCO ZINC000529551203 650703973 /nfs/dbraw/zinc/70/39/73/650703973.db2.gz WWEIIYKRPNTZRC-LLVKDONJSA-N 1 0 385.331 2.399 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000486235054 650709390 /nfs/dbraw/zinc/70/93/90/650709390.db2.gz XLLXRGYDCJQQCQ-UHFFFAOYSA-N 1 0 380.286 2.464 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000486269799 650710335 /nfs/dbraw/zinc/71/03/35/650710335.db2.gz NYYVPAXPARSCKF-CYBMUJFWSA-N 1 0 397.317 2.419 20 0 GEADRO C[NH+](C)C[C@H](NC(=O)c1ccc2nnnn2c1)c1ccc(Cl)c(Cl)c1 ZINC000530032004 650711185 /nfs/dbraw/zinc/71/11/85/650711185.db2.gz OGDXSWOQGBOKPS-AWEZNQCLSA-N 1 0 379.251 2.464 20 0 GEADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)[C@H](C(F)(F)F)C1 ZINC000530064040 650712391 /nfs/dbraw/zinc/71/23/91/650712391.db2.gz QBSVLUFRCNQMFT-JJNOJECJSA-N 1 0 380.476 2.407 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1Br ZINC000486398035 650712884 /nfs/dbraw/zinc/71/28/84/650712884.db2.gz BYHHVBUMHKPMQP-HNNXBMFYSA-N 1 0 382.302 2.461 20 0 GEADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530221644 650718586 /nfs/dbraw/zinc/71/85/86/650718586.db2.gz HBXBSRNWPUQNMQ-AWEZNQCLSA-N 1 0 381.318 2.153 20 0 GEADRO C[NH+](C)C[C@H](c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](O)CCCN2C1=O ZINC000530215389 650718719 /nfs/dbraw/zinc/71/87/19/650718719.db2.gz WNRZVKJZBGQVIE-KFWWJZLASA-N 1 0 386.279 2.384 20 0 GEADRO C[C@](O)(C[NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(Br)cc1Cl ZINC000530237958 650718927 /nfs/dbraw/zinc/71/89/27/650718927.db2.gz HROBKCXCSNOKOJ-ZNMIVQPWSA-N 1 0 378.694 2.440 20 0 GEADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239020 650718995 /nfs/dbraw/zinc/71/89/95/650718995.db2.gz CACKTOMXNPYCPX-IAGOWNOFSA-N 1 0 396.329 2.066 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CC[NH+]2CCC1CC2 ZINC000530345916 650722461 /nfs/dbraw/zinc/72/24/61/650722461.db2.gz MPDAIUMIIQZENZ-UHFFFAOYSA-N 1 0 395.301 2.267 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)Nc1cccc2cc(Br)cnc21 ZINC000486812424 650722663 /nfs/dbraw/zinc/72/26/63/650722663.db2.gz RMYNLTPWQDRGCZ-UHFFFAOYSA-N 1 0 381.274 2.433 20 0 GEADRO CC[NH+](CC)CCN(C(=O)CC1(C(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000486813779 650722709 /nfs/dbraw/zinc/72/27/09/650722709.db2.gz RBIXUJRPWBKPAF-CYBMUJFWSA-N 1 0 384.464 2.077 20 0 GEADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000530651587 650729212 /nfs/dbraw/zinc/72/92/12/650729212.db2.gz AKIUPVZNSAOBRM-ZDUSSCGKSA-N 1 0 384.445 2.301 20 0 GEADRO C[C@H](C[NH2+]Cc1c(Br)cnn1C)N1CCN(c2ccccc2)CC1 ZINC000486981010 650726496 /nfs/dbraw/zinc/72/64/96/650726496.db2.gz LVLWISBIZGHGCZ-OAHLLOKOSA-N 1 0 392.345 2.483 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000530920981 650731107 /nfs/dbraw/zinc/73/11/07/650731107.db2.gz MYJCAOGFXIMABY-NSHDSACASA-N 1 0 398.301 2.163 20 0 GEADRO Cn1cc(Br)cc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1=O ZINC000530960624 650731998 /nfs/dbraw/zinc/73/19/98/650731998.db2.gz LTFARXGPUFOQOS-UHFFFAOYSA-N 1 0 385.306 2.486 20 0 GEADRO CN(CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C(=O)c1ccc(Br)o1 ZINC000487460867 650734065 /nfs/dbraw/zinc/73/40/65/650734065.db2.gz LKTXZUSFKZDULA-RYUDHWBXSA-N 1 0 386.290 2.103 20 0 GEADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000487548147 650735377 /nfs/dbraw/zinc/73/53/77/650735377.db2.gz BDLUSRLXASEABT-GXFFZTMASA-N 1 0 379.258 2.313 20 0 GEADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000487548959 650735578 /nfs/dbraw/zinc/73/55/78/650735578.db2.gz DZMGHWXWMKHKEP-LLVKDONJSA-N 1 0 385.693 2.270 20 0 GEADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000487572828 650735908 /nfs/dbraw/zinc/73/59/08/650735908.db2.gz MGTWVYWLLGARCD-MFKMUULPSA-N 1 0 379.258 2.313 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000531393005 650738036 /nfs/dbraw/zinc/73/80/36/650738036.db2.gz JDSAJTWRBRFMPF-CHWSQXEVSA-N 1 0 385.917 2.376 20 0 GEADRO CO[C@@H]1C[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H]1OC ZINC000488115479 650741154 /nfs/dbraw/zinc/74/11/54/650741154.db2.gz WKIPPYILJFQQLS-KCPJHIHWSA-N 1 0 394.693 2.188 20 0 GEADRO Cc1ccc(NC(=S)NCC[NH+](C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000007517270 642341284 /nfs/dbraw/zinc/34/12/84/642341284.db2.gz AFCMNYLQGGMIIA-UHFFFAOYSA-N 1 0 384.571 2.018 20 0 GEADRO COC[C@](C)(O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000531711235 650742981 /nfs/dbraw/zinc/74/29/81/650742981.db2.gz FFIUAKFORVXUPW-DZGCQCFKSA-N 1 0 391.249 2.492 20 0 GEADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000532107407 650744643 /nfs/dbraw/zinc/74/46/43/650744643.db2.gz FALPCNZRHNDHJY-LBPRGKRZSA-N 1 0 385.917 2.309 20 0 GEADRO C[NH+](C)CCCNC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000012249542 642372241 /nfs/dbraw/zinc/37/22/41/642372241.db2.gz PWEBCVXAHHLRQW-UHFFFAOYSA-N 1 0 384.889 2.462 20 0 GEADRO C[C@H]([NH2+]CCNC(=O)c1cnccn1)c1ccccc1I ZINC000532219385 650746316 /nfs/dbraw/zinc/74/63/16/650746316.db2.gz SELVAATVLUKXND-NSHDSACASA-N 1 0 396.232 2.162 20 0 GEADRO O=C(COc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000532639879 650751741 /nfs/dbraw/zinc/75/17/41/650751741.db2.gz NAWZHQCJNFDAPB-HNNXBMFYSA-N 1 0 397.313 2.399 20 0 GEADRO O=C(NCC[NH2+][C@H]1CCCOc2ccc(Br)cc21)c1cnccn1 ZINC000532494911 650748936 /nfs/dbraw/zinc/74/89/36/650748936.db2.gz GEGLJBKMOISCOF-AWEZNQCLSA-N 1 0 391.269 2.472 20 0 GEADRO C[NH+](C)CCNC(=S)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000023103889 642410688 /nfs/dbraw/zinc/41/06/88/642410688.db2.gz CSIVTWAGAOAWRF-UHFFFAOYSA-N 1 0 391.404 2.064 20 0 GEADRO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000489032456 650754103 /nfs/dbraw/zinc/75/41/03/650754103.db2.gz AOGVDISHDCNKJZ-ABAIWWIYSA-N 1 0 386.265 2.158 20 0 GEADRO CC[C@@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[NH+](CC)CC ZINC000489122063 650754955 /nfs/dbraw/zinc/75/49/55/650754955.db2.gz IRWYASGTSCSRNM-CABCVRRESA-N 1 0 387.571 2.138 20 0 GEADRO CCC[N@H+](CCC(=O)NC(=O)NC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000029973337 642472567 /nfs/dbraw/zinc/47/25/67/642472567.db2.gz JQKRZAWAAXZQEW-UHFFFAOYSA-N 1 0 389.283 2.490 20 0 GEADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000489276051 650756857 /nfs/dbraw/zinc/75/68/57/650756857.db2.gz IKWYRXYWZREKTG-NEPJUHHUSA-N 1 0 388.281 2.185 20 0 GEADRO O=C(COC(=O)c1ccc(F)cc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000030641924 642476039 /nfs/dbraw/zinc/47/60/39/642476039.db2.gz ZYYJUFYDNSDIFM-UHFFFAOYSA-N 1 0 399.260 2.488 20 0 GEADRO COc1cc(C[NH2+]CCN2CCC2)cc(I)c1OC ZINC000533103870 650757492 /nfs/dbraw/zinc/75/74/92/650757492.db2.gz IXYJSJNNWDOLPL-UHFFFAOYSA-N 1 0 376.238 2.104 20 0 GEADRO CC(C)[C@@H]1CN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@@H+]1C ZINC000489331060 650757694 /nfs/dbraw/zinc/75/76/94/650757694.db2.gz NTUCTIYMFGAFMM-AWEZNQCLSA-N 1 0 396.285 2.192 20 0 GEADRO O=C(NCc1ccc(Br)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489339453 650757843 /nfs/dbraw/zinc/75/78/43/650757843.db2.gz VBLMYPRKJRBGHA-LBPRGKRZSA-N 1 0 388.331 2.374 20 0 GEADRO O=C(NCc1n[nH]cc1Br)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000533306857 650759431 /nfs/dbraw/zinc/75/94/31/650759431.db2.gz NNEXBBOEGVPXHJ-IAQYHMDHSA-N 1 0 382.306 2.331 20 0 GEADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000037404300 642513212 /nfs/dbraw/zinc/51/32/12/642513212.db2.gz AFJXIFKQHQRWLN-UHFFFAOYSA-N 1 0 377.304 2.172 20 0 GEADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000041134902 642526192 /nfs/dbraw/zinc/52/61/92/642526192.db2.gz GWTGJYHAWMGNDA-UHFFFAOYSA-N 1 0 375.803 2.482 20 0 GEADRO O=S(=O)(c1csc2ccc(Cl)cc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000490065528 650767551 /nfs/dbraw/zinc/76/75/51/650767551.db2.gz GCWNYORIIVSDJF-CYBMUJFWSA-N 1 0 385.942 2.223 20 0 GEADRO C[C@@H](CNS(=O)(=O)c1cc(Br)cc2cccnc21)C[NH+](C)C ZINC000490061871 650767557 /nfs/dbraw/zinc/76/75/57/650767557.db2.gz LFLAKPLRTGBTEU-NSHDSACASA-N 1 0 386.315 2.473 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000041923286 642536324 /nfs/dbraw/zinc/53/63/24/642536324.db2.gz ISXQHSKBEGLCHZ-UHFFFAOYSA-N 1 0 375.441 2.024 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCC[N@@H+](C)C(C)C)s1 ZINC000041929048 642536335 /nfs/dbraw/zinc/53/63/35/642536335.db2.gz DWBSJFLUYFXQGP-OAHLLOKOSA-N 1 0 387.571 2.056 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc2cccnc21 ZINC000533941995 650767544 /nfs/dbraw/zinc/76/75/44/650767544.db2.gz QHCQDLNHNRACMS-CYBMUJFWSA-N 1 0 391.313 2.363 20 0 GEADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2n[nH]cc2Br)[C@@H]1c1ccccc1 ZINC000533947929 650767558 /nfs/dbraw/zinc/76/75/58/650767558.db2.gz IYJNSOKJNTZZHS-HIFRSBDPSA-N 1 0 378.274 2.417 20 0 GEADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCCNc1cc[nH+]cc1 ZINC000533809664 650766454 /nfs/dbraw/zinc/76/64/54/650766454.db2.gz KVLDDQDORDLVBY-HNNXBMFYSA-N 1 0 376.869 2.188 20 0 GEADRO O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490013528 650766665 /nfs/dbraw/zinc/76/66/65/650766665.db2.gz NERFGHAADAAAHC-OAHLLOKOSA-N 1 0 378.416 2.392 20 0 GEADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490029396 650766765 /nfs/dbraw/zinc/76/67/65/650766765.db2.gz JRQJYDZCHAWAGM-AWEZNQCLSA-N 1 0 395.269 2.492 20 0 GEADRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)C[NH+](C)C ZINC000490062481 650767628 /nfs/dbraw/zinc/76/76/28/650767628.db2.gz ZWVDGYVQYVBGHI-ZIAGYGMSSA-N 1 0 390.933 2.231 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH+](C)C)c1 ZINC000045164584 642590316 /nfs/dbraw/zinc/59/03/16/642590316.db2.gz QYBSWPLVCNYBJK-UHFFFAOYSA-N 1 0 375.922 2.052 20 0 GEADRO CCC[NH+]1CCC(CNC(=O)NCCCn2cc(Br)cn2)CC1 ZINC000490177616 650769738 /nfs/dbraw/zinc/76/97/38/650769738.db2.gz CBNOLGBMZOGJFY-UHFFFAOYSA-N 1 0 386.338 2.457 20 0 GEADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000046036464 642602818 /nfs/dbraw/zinc/60/28/18/642602818.db2.gz IHYSYBIYGYQQBV-ZIAGYGMSSA-N 1 0 389.315 2.363 20 0 GEADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000046857638 642617692 /nfs/dbraw/zinc/61/76/92/642617692.db2.gz WZKOODUELMIMEY-AWEZNQCLSA-N 1 0 385.555 2.137 20 0 GEADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000046947003 642620001 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CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000052134566 642710126 /nfs/dbraw/zinc/71/01/26/642710126.db2.gz SGCIBPFDUIRUBL-AWEZNQCLSA-N 1 0 387.933 2.462 20 0 GEADRO O=S1(=O)CCC(O)(C[NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC000535276957 650786624 /nfs/dbraw/zinc/78/66/24/650786624.db2.gz VWHZQTBAJSIVIH-UHFFFAOYSA-N 1 0 388.327 2.358 20 0 GEADRO CSCC[C@@H]1NC(=S)N(c2ccc(N3CCC[N@H+](C)CC3)cc2)C1=O ZINC000055179464 642768486 /nfs/dbraw/zinc/76/84/86/642768486.db2.gz LNPKUOIANNMKFS-INIZCTEOSA-N 1 0 378.567 2.171 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NCc1cc(F)cc(Br)c1 ZINC000057249329 642809849 /nfs/dbraw/zinc/80/98/49/642809849.db2.gz NFSPGKKJBDKHGY-UHFFFAOYSA-N 1 0 388.281 2.500 20 0 GEADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000057553118 642814256 /nfs/dbraw/zinc/81/42/56/642814256.db2.gz SXLADYRJZACABZ-CYBMUJFWSA-N 1 0 377.901 2.240 20 0 GEADRO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[N@H+](C)C1CC1 ZINC000057710758 642814634 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Cn1cnc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1Cl ZINC000065972562 642893370 /nfs/dbraw/zinc/89/33/70/642893370.db2.gz SDJVAGSTSUCDRT-UHFFFAOYSA-N 1 0 392.859 2.104 20 0 GEADRO C#CCOc1ccccc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000065978294 642893932 /nfs/dbraw/zinc/89/39/32/642893932.db2.gz OPXDJWBWMWZGRC-UHFFFAOYSA-N 1 0 378.881 2.420 20 0 GEADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000066138620 642898490 /nfs/dbraw/zinc/89/84/90/642898490.db2.gz PQHSJDIRNRYXLN-GFCCVEGCSA-N 1 0 375.922 2.050 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)CCn1cc(Br)ccc1=O)c1ccsc1 ZINC000493575146 650795076 /nfs/dbraw/zinc/79/50/76/650795076.db2.gz BTDVTBHSVJWKHY-AWEZNQCLSA-N 1 0 398.326 2.482 20 0 GEADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCCc1cccc(Br)c1 ZINC000066600380 642927326 /nfs/dbraw/zinc/92/73/26/642927326.db2.gz ASGGFHKXRGFHEH-OAHLLOKOSA-N 1 0 397.361 2.317 20 0 GEADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000493920359 650798926 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CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000114380395 643416525 /nfs/dbraw/zinc/41/65/25/643416525.db2.gz SZOALTBTYYBRTD-CQSZACIVSA-N 1 0 396.329 2.022 20 0 GEADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000538918570 650838670 /nfs/dbraw/zinc/83/86/70/650838670.db2.gz FTZNMZUHIVEPSK-XJKCOSOUSA-N 1 0 381.929 2.406 20 0 GEADRO CCOc1c(Br)cc(Br)cc1C[NH2+]C(CO)CO ZINC000114983097 643429139 /nfs/dbraw/zinc/42/91/39/643429139.db2.gz KMMWBYFMYHOXHI-UHFFFAOYSA-N 1 0 383.080 2.053 20 0 GEADRO COC(=O)CC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000497742643 650839323 /nfs/dbraw/zinc/83/93/23/650839323.db2.gz UBBSDNUNDDSJSY-HNNXBMFYSA-N 1 0 386.286 2.464 20 0 GEADRO C[C@@H](CNC(=O)c1cc(I)c[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000115333614 643435533 /nfs/dbraw/zinc/43/55/33/643435533.db2.gz JKWWEHZKUUOHJN-MNOVXSKESA-N 1 0 375.254 2.470 20 0 GEADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc(I)cc1 ZINC000538952629 650839701 /nfs/dbraw/zinc/83/97/01/650839701.db2.gz CZKGMAAJTRBRPZ-NWDGAFQWSA-N 1 0 387.265 2.254 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(I)c[nH]1 ZINC000115371279 643437776 /nfs/dbraw/zinc/43/77/76/643437776.db2.gz ZEIREBCYVOZVTQ-UHFFFAOYSA-N 1 0 393.269 2.050 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115442551 643439220 /nfs/dbraw/zinc/43/92/20/643439220.db2.gz XTRKJVMWKSPHRC-UONOGXRCSA-N 1 0 396.329 2.368 20 0 GEADRO Cc1cc(NC(=O)CN2CCC([N@H+](C)CCCO)CC2)ccc1Br ZINC000115546029 643441116 /nfs/dbraw/zinc/44/11/16/643441116.db2.gz OJEWEFZSVKTNGC-UHFFFAOYSA-N 1 0 398.345 2.475 20 0 GEADRO C[C@@H]1[C@H](C)N(CC(=O)Nc2ccccc2I)CC[N@H+]1C ZINC000538954291 650840129 /nfs/dbraw/zinc/84/01/29/650840129.db2.gz UQJFRXFKFSACBZ-NEPJUHHUSA-N 1 0 387.265 2.254 20 0 GEADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c(OC)c1 ZINC000539049254 650841392 /nfs/dbraw/zinc/84/13/92/650841392.db2.gz FMKQKNJRHOLDHU-STQMWFEESA-N 1 0 385.507 2.251 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1nc2c(s1)CSCC2)[N@@H+]1CCCC[C@@H]1C ZINC000497915402 650841382 /nfs/dbraw/zinc/84/13/82/650841382.db2.gz FEVFSGKBBGIDLB-NWDGAFQWSA-N 1 0 382.555 2.250 20 0 GEADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000116449611 643463295 /nfs/dbraw/zinc/46/32/95/643463295.db2.gz HSBNYJQQLCZVGU-HUUCEWRRSA-N 1 0 399.329 2.425 20 0 GEADRO COc1cc([C@@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)ccc1S(C)(=O)=O ZINC000539081929 650841867 /nfs/dbraw/zinc/84/18/67/650841867.db2.gz ALDXIZPGQSNNEY-LRVUVFPRSA-N 1 0 389.539 2.105 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000539077997 650842038 /nfs/dbraw/zinc/84/20/38/650842038.db2.gz WGNFYWQHQSHODE-VXGBXAGGSA-N 1 0 376.906 2.479 20 0 GEADRO CC(C)[C@H]([NH2+]CCOc1cccc(Br)c1)C(=O)N1CCOCC1 ZINC000539358883 650843423 /nfs/dbraw/zinc/84/34/23/650843423.db2.gz JDNIHBMCKZKNOP-INIZCTEOSA-N 1 0 385.302 2.301 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CC1 ZINC000118102951 643505573 /nfs/dbraw/zinc/50/55/73/643505573.db2.gz HEHPEFNYTJNFMZ-LBPRGKRZSA-N 1 0 375.803 2.336 20 0 GEADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1Cl ZINC000118442746 643513196 /nfs/dbraw/zinc/51/31/96/643513196.db2.gz ZXPAHEJYSAZOPO-CQSZACIVSA-N 1 0 387.933 2.032 20 0 GEADRO O=C([C@H]1COc2ccc(Br)cc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000119553626 643557125 /nfs/dbraw/zinc/55/71/25/643557125.db2.gz BCTGCNDIHVXABU-INIZCTEOSA-N 1 0 395.297 2.248 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)nc2C)[C@H](C)C1 ZINC000119827958 643573528 /nfs/dbraw/zinc/57/35/28/643573528.db2.gz JKVLGJSYYRTXSD-RISCZKNCSA-N 1 0 397.317 2.280 20 0 GEADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000498157462 650849323 /nfs/dbraw/zinc/84/93/23/650849323.db2.gz QEIQCPKJVJKHKN-QWHCGFSZSA-N 1 0 383.480 2.106 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C1([NH+](C)C)CCC1 ZINC000119885339 643577261 /nfs/dbraw/zinc/57/72/61/643577261.db2.gz WDPDBTWROZDHCA-UHFFFAOYSA-N 1 0 396.329 2.398 20 0 GEADRO CSCC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)c1nnc2ccccn21 ZINC000119898909 643578306 /nfs/dbraw/zinc/57/83/06/643578306.db2.gz UZFVEBALBWPFLF-NSHDSACASA-N 1 0 375.420 2.182 20 0 GEADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000498190611 650850175 /nfs/dbraw/zinc/85/01/75/650850175.db2.gz DNXANPOGZQSYEK-AHIWAGSCSA-N 1 0 385.302 2.213 20 0 GEADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cnn2cc(Br)cnc12 ZINC000539845070 650851483 /nfs/dbraw/zinc/85/14/83/650851483.db2.gz RCTKPVWHMKFOMA-RYUDHWBXSA-N 1 0 380.290 2.485 20 0 GEADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000120328649 643600244 /nfs/dbraw/zinc/60/02/44/643600244.db2.gz GRPMINQYMBQNNU-GFCCVEGCSA-N 1 0 375.922 2.050 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C[N@@H+]1C1CC1 ZINC000120494798 643612330 /nfs/dbraw/zinc/61/23/30/643612330.db2.gz LKRYUXUNKHSRCD-MWLCHTKSSA-N 1 0 384.249 2.268 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(Br)ccc3F)CC[C@@H]21 ZINC000120539811 643617620 /nfs/dbraw/zinc/61/76/20/643617620.db2.gz NMSHLZBOAOWWPR-ABAIWWIYSA-N 1 0 398.276 2.469 20 0 GEADRO CCNC(=O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000120551210 643618028 /nfs/dbraw/zinc/61/80/28/643618028.db2.gz VSKNGVNPUZPXRZ-UHFFFAOYSA-N 1 0 383.290 2.021 20 0 GEADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000539922643 650853826 /nfs/dbraw/zinc/85/38/26/650853826.db2.gz ZZYGZLLRGGUKQX-MRXNPFEDSA-N 1 0 397.313 2.434 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc(S(N)(=O)=O)cc1C)CC(C)C ZINC000498452800 650857297 /nfs/dbraw/zinc/85/72/97/650857297.db2.gz OIDDBEDQICBCGX-CYBMUJFWSA-N 1 0 375.560 2.190 20 0 GEADRO O=C(c1cc(C(F)(F)F)ccc1Br)N1CCN(CCO)CC1 ZINC000121793528 643640549 /nfs/dbraw/zinc/64/05/49/643640549.db2.gz CDIVLTXXIGEULI-UHFFFAOYSA-N 1 0 381.192 2.218 20 0 GEADRO O[C@@H](C[NH2+][C@H]1CCCOCC1)COc1ccc(I)cc1 ZINC000539967467 650855247 /nfs/dbraw/zinc/85/52/47/650855247.db2.gz GUVFBSRQPOSMPV-KBPBESRZSA-N 1 0 391.249 2.190 20 0 GEADRO CCC[C@H]1CN([C@H](C(N)=O)c2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000122028591 643648232 /nfs/dbraw/zinc/64/82/32/643648232.db2.gz GFXAGVLCHIABCJ-IRXDYDNUSA-N 1 0 398.345 2.408 20 0 GEADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000122290981 643652765 /nfs/dbraw/zinc/65/27/65/643652765.db2.gz XSXIJHOTMBDTPX-DOMZBBRYSA-N 1 0 387.933 2.003 20 0 GEADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000122594939 643659483 /nfs/dbraw/zinc/65/94/83/643659483.db2.gz HLMORRRPEJFVPL-UONOGXRCSA-N 1 0 387.933 2.193 20 0 GEADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cccc(I)c1 ZINC000123402520 643668035 /nfs/dbraw/zinc/66/80/35/643668035.db2.gz BQKKRNLRDXINAY-UHFFFAOYSA-N 1 0 396.294 2.252 20 0 GEADRO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@H+]1C ZINC000540019911 650856592 /nfs/dbraw/zinc/85/65/92/650856592.db2.gz DQNQMSXEAKVCKY-DVOMOZLQSA-N 1 0 394.313 2.353 20 0 GEADRO Cn1cc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)nc1Cl ZINC000124076965 643680795 /nfs/dbraw/zinc/68/07/95/643680795.db2.gz BNZLSMSFKVIENT-UHFFFAOYSA-N 1 0 392.978 2.104 20 0 GEADRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000540161324 650858164 /nfs/dbraw/zinc/85/81/64/650858164.db2.gz XLAYEJWLGWAKRT-CYBMUJFWSA-N 1 0 379.503 2.271 20 0 GEADRO COC(=O)[C@H](C)C[N@H+](Cn1nc(Br)c(=O)c2ccccc21)C1CC1 ZINC000124115046 643681479 /nfs/dbraw/zinc/68/14/79/643681479.db2.gz DGKOGNXUALJVNM-LLVKDONJSA-N 1 0 394.269 2.390 20 0 GEADRO C[C@@H]1C[NH2+]CCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000125054459 643699249 /nfs/dbraw/zinc/69/92/49/643699249.db2.gz JUQQFTXAVJFDTO-SECBINFHSA-N 1 0 385.287 2.314 20 0 GEADRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccnc(Br)c1 ZINC000125604332 643708831 /nfs/dbraw/zinc/70/88/31/643708831.db2.gz DYFDIANIHLNCCF-INIZCTEOSA-N 1 0 390.281 2.475 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)CC(C)(C)S(C)(=O)=O)C1 ZINC000125606882 643709168 /nfs/dbraw/zinc/70/91/68/643709168.db2.gz NGLIMUVXGBSPHB-IYBDPMFKSA-N 1 0 375.579 2.209 20 0 GEADRO O=C(NCCCC[NH+]1CCOCC1)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000125840267 643713518 /nfs/dbraw/zinc/71/35/18/643713518.db2.gz GPUPIGHBSVXWBP-OAHLLOKOSA-N 1 0 390.311 2.438 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CSc1nnnn1CC[NH+](C)C ZINC000125868172 643714191 /nfs/dbraw/zinc/71/41/91/643714191.db2.gz FOENIIRTGSFIJM-UHFFFAOYSA-N 1 0 399.318 2.036 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc(F)c1F ZINC000126097122 643721345 /nfs/dbraw/zinc/72/13/45/643721345.db2.gz XBZOJMFUIYJNOT-SNVBAGLBSA-N 1 0 378.441 2.006 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc(F)c1F ZINC000126096890 643721413 /nfs/dbraw/zinc/72/14/13/643721413.db2.gz XBZOJMFUIYJNOT-JTQLQIEISA-N 1 0 378.441 2.006 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)CC(C)(C)S(C)(=O)=O)C1 ZINC000126210160 643724194 /nfs/dbraw/zinc/72/41/94/643724194.db2.gz RUHDAHFAIIQTLC-GASCZTMLSA-N 1 0 375.579 2.208 20 0 GEADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000498725759 650863240 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CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCCS1 ZINC000498840156 650867137 /nfs/dbraw/zinc/86/71/37/650867137.db2.gz XXRBMKWQBKZIJX-OAHLLOKOSA-N 1 0 383.583 2.430 20 0 GEADRO COc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c(I)c1 ZINC000128341093 643800085 /nfs/dbraw/zinc/80/00/85/643800085.db2.gz YGYVUDZPNCUOHJ-AWEZNQCLSA-N 1 0 388.249 2.370 20 0 GEADRO CN1CCN(c2ccc(NC(=O)C[N@H+](C)[C@H]3CCSC3)cc2Cl)CC1 ZINC000128405644 643801737 /nfs/dbraw/zinc/80/17/37/643801737.db2.gz VLAWVOPAWNUSHS-HNNXBMFYSA-N 1 0 382.961 2.468 20 0 GEADRO CCN(CC)C(=O)CN1CCCN(Cc2c(Cl)nc(Cl)n2C)CC1 ZINC000129250777 643819073 /nfs/dbraw/zinc/81/90/73/643819073.db2.gz XEAQWRRICPHNHL-UHFFFAOYSA-N 1 0 376.332 2.103 20 0 GEADRO C[NH+]1CCC(CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000129915392 643827905 /nfs/dbraw/zinc/82/79/05/643827905.db2.gz VQGIYBBKWMRORZ-UHFFFAOYSA-N 1 0 379.917 2.345 20 0 GEADRO CSc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1Cl ZINC000130135261 643830252 /nfs/dbraw/zinc/83/02/52/643830252.db2.gz 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ZINC000130609206 643845602 /nfs/dbraw/zinc/84/56/02/643845602.db2.gz TZSYVFFCGASYDU-UHFFFAOYSA-N 1 0 386.480 2.216 20 0 GEADRO NC(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000130962925 643857820 /nfs/dbraw/zinc/85/78/20/643857820.db2.gz MQIOBWKGQAHXGR-CQSZACIVSA-N 1 0 379.254 2.078 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000131135131 643865289 /nfs/dbraw/zinc/86/52/89/643865289.db2.gz CRRGLNAIYQRZST-HZPDHXFCSA-N 1 0 382.302 2.356 20 0 GEADRO O=C(COc1ccc(Br)cc1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131280600 643869558 /nfs/dbraw/zinc/86/95/58/643869558.db2.gz PFYTVIHXWICFEC-OAHLLOKOSA-N 1 0 385.302 2.181 20 0 GEADRO C[NH+](C)CCCCCOC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000133653071 643896857 /nfs/dbraw/zinc/89/68/57/643896857.db2.gz OGTVSCNQLFRQAO-UHFFFAOYSA-N 1 0 396.285 2.434 20 0 GEADRO CC[NH+]1CCC(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC1 ZINC000134518296 643905188 /nfs/dbraw/zinc/90/51/88/643905188.db2.gz FVVFOMSRADPMIJ-UHFFFAOYSA-N 1 0 385.917 2.094 20 0 GEADRO 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C[N@H+](CC(=O)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1)[C@@H]1CCSC1 ZINC000155439038 644071483 /nfs/dbraw/zinc/07/14/83/644071483.db2.gz LLVYYSGHPRDZDD-TZMCWYRMSA-N 1 0 381.571 2.045 20 0 GEADRO C[N@H+](CC(=O)N1CCC(C2N=NC(=S)N2C2CC2)CC1)[C@H]1CCSC1 ZINC000155592548 644076412 /nfs/dbraw/zinc/07/64/12/644076412.db2.gz YQFXRSWOAWOBBZ-AWEZNQCLSA-N 1 0 381.571 2.045 20 0 GEADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000155796111 644081600 /nfs/dbraw/zinc/08/16/00/644081600.db2.gz TZZQGIYAHZBGGG-CYBMUJFWSA-N 1 0 380.432 2.488 20 0 GEADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000156579544 644104751 /nfs/dbraw/zinc/10/47/51/644104751.db2.gz MAMMZLQFSVUBFR-OAHLLOKOSA-N 1 0 396.329 2.208 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2cccn3c(I)cnc23)[C@H]1C[NH3+] ZINC000156634378 644109570 /nfs/dbraw/zinc/10/95/70/644109570.db2.gz OBNNHEBYARUKQD-PWSUYJOCSA-N 1 0 398.248 2.138 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000156765997 644116605 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OCCOCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000159143241 644177607 /nfs/dbraw/zinc/17/76/07/644177607.db2.gz QKASHCYCCROXEJ-ZDUSSCGKSA-N 1 0 377.222 2.103 20 0 GEADRO CC(=O)N[C@H](CC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000159145334 644177800 /nfs/dbraw/zinc/17/78/00/644177800.db2.gz SZIRKOITTWHGQI-AEFFLSMTSA-N 1 0 394.313 2.228 20 0 GEADRO [NH3+]C[C@H](NC(=O)CCCOc1ccc(I)cc1)C1CC1 ZINC000159277833 644184609 /nfs/dbraw/zinc/18/46/09/644184609.db2.gz UBWRAMXTCNDOMD-AWEZNQCLSA-N 1 0 388.249 2.304 20 0 GEADRO O=C(NNC(=O)c1ccc(F)cc1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160736864 644205167 /nfs/dbraw/zinc/20/51/67/644205167.db2.gz YUBDBZJRGQXDIL-GFCCVEGCSA-N 1 0 399.264 2.017 20 0 GEADRO CCN(C(=O)[C@@H](C)SCC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000161039242 644207677 /nfs/dbraw/zinc/20/76/77/644207677.db2.gz AGUTZHIQXVRBHA-HZPDHXFCSA-N 1 0 378.604 2.263 20 0 GEADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)s1 ZINC000161730022 644217558 /nfs/dbraw/zinc/21/75/58/644217558.db2.gz FLFWWNPYQLPIHJ-LLVKDONJSA-N 1 0 397.360 2.026 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000161808333 644220670 /nfs/dbraw/zinc/22/06/70/644220670.db2.gz TWBNEEHYTPNTEK-CHWSQXEVSA-N 1 0 385.917 2.124 20 0 GEADRO CC(C)C(=O)N1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000161892175 644224539 /nfs/dbraw/zinc/22/45/39/644224539.db2.gz KALHFYUIBBHODF-HNNXBMFYSA-N 1 0 382.302 2.212 20 0 GEADRO CC(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000162101365 644232441 /nfs/dbraw/zinc/23/24/41/644232441.db2.gz BCNZLKTVGIDXIH-CYBMUJFWSA-N 1 0 376.238 2.226 20 0 GEADRO Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c2cc(Br)ccc2n1 ZINC000163017449 644245026 /nfs/dbraw/zinc/24/50/26/644245026.db2.gz KFGFLUZSGAJCFP-BZNIZROVSA-N 1 0 378.270 2.494 20 0 GEADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000163153771 644249991 /nfs/dbraw/zinc/24/99/91/644249991.db2.gz AWVZQABKMYEACT-CHWSQXEVSA-N 1 0 379.448 2.130 20 0 GEADRO Cc1[nH]c(=O)c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000163168142 644250728 /nfs/dbraw/zinc/25/07/28/644250728.db2.gz XHQMQXFCRYLUGM-GFCCVEGCSA-N 1 0 398.301 2.089 20 0 GEADRO CCS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163544368 644257571 /nfs/dbraw/zinc/25/75/71/644257571.db2.gz OKIUYRTXZMIKTQ-NSHDSACASA-N 1 0 377.304 2.191 20 0 GEADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000164256713 644261201 /nfs/dbraw/zinc/26/12/01/644261201.db2.gz UAVPHZSXCDIXRQ-UHFFFAOYSA-N 1 0 376.469 2.227 20 0 GEADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(Br)nc3)C2)CC1 ZINC000166806538 644278458 /nfs/dbraw/zinc/27/84/58/644278458.db2.gz NDTIFQGWQSBBDJ-AWEZNQCLSA-N 1 0 382.306 2.088 20 0 GEADRO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000170864599 644292925 /nfs/dbraw/zinc/29/29/25/644292925.db2.gz VCWHTXGIWKWEAO-CQSZACIVSA-N 1 0 378.274 2.114 20 0 GEADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)[NH+](C)C ZINC000543414747 650910990 /nfs/dbraw/zinc/91/09/90/650910990.db2.gz MQHWMBJCLOKPES-OAHLLOKOSA-N 1 0 375.922 2.084 20 0 GEADRO C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)(C)C[NH+](C)C ZINC000173055100 644349731 /nfs/dbraw/zinc/34/97/31/644349731.db2.gz LNZRGOJLVWDAAD-GFCCVEGCSA-N 1 0 389.949 2.296 20 0 GEADRO CCC[N@H+](CC)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000174650624 644378778 /nfs/dbraw/zinc/37/87/78/644378778.db2.gz MAVMPRWHABLYRL-UHFFFAOYSA-N 1 0 375.922 2.052 20 0 GEADRO Brc1nc(Br)n(CN2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000175236659 644387227 /nfs/dbraw/zinc/38/72/27/644387227.db2.gz JIUHKDPGKYMYIC-JTQLQIEISA-N 1 0 393.127 2.321 20 0 GEADRO Brc1nc(Br)n(CN2CC[NH+](C3CCCC3)CC2)n1 ZINC000175232762 644387233 /nfs/dbraw/zinc/38/72/33/644387233.db2.gz TVNOCHXSYWRWJC-UHFFFAOYSA-N 1 0 393.127 2.321 20 0 GEADRO CC[N@H+](C)C[C@H]1CCN(Cn2nc(Br)nc2Br)C1 ZINC000175238389 644387937 /nfs/dbraw/zinc/38/79/37/644387937.db2.gz CTLCDDQPTZEZOV-SECBINFHSA-N 1 0 381.116 2.034 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c(Cl)cc1Cl ZINC000175277297 644388439 /nfs/dbraw/zinc/38/84/39/644388439.db2.gz AXTQFSSRKAGHCR-JTQLQIEISA-N 1 0 395.308 2.400 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)COc2ccc(C=O)cc2Br)C[N@@H+]1C1CC1 ZINC000177196855 644410358 /nfs/dbraw/zinc/41/03/58/644410358.db2.gz BPURPQTXVIIZQO-YPMHNXCESA-N 1 0 381.270 2.382 20 0 GEADRO C[C@H]1C[C@H](NC(=O)COc2ccc(C=O)cc2Br)C[N@@H+]1C1CC1 ZINC000177196868 644410463 /nfs/dbraw/zinc/41/04/63/644410463.db2.gz BPURPQTXVIIZQO-AAEUAGOBSA-N 1 0 381.270 2.382 20 0 GEADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[NH+]2CCCC2)c1 ZINC000177659434 644423574 /nfs/dbraw/zinc/42/35/74/644423574.db2.gz YVNOMUXPBVELJJ-UHFFFAOYSA-N 1 0 387.933 2.242 20 0 GEADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CC[C@H](C[NH3+])C3)[nH]c(=O)c2c1C ZINC000178550776 644434586 /nfs/dbraw/zinc/43/45/86/644434586.db2.gz JZCMUDBUEMDNIS-NWDGAFQWSA-N 1 0 380.539 2.030 20 0 GEADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc3ncc(I)n3c2)CC1 ZINC000178816822 644442243 /nfs/dbraw/zinc/44/22/43/644442243.db2.gz XWPPNBFTHBNQFA-SNVBAGLBSA-N 1 0 398.248 2.138 20 0 GEADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000178933198 644445215 /nfs/dbraw/zinc/44/52/15/644445215.db2.gz UXLOBOBNUVHICJ-SECBINFHSA-N 1 0 383.258 2.490 20 0 GEADRO CCCN(CCC)S(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000543728884 650921673 /nfs/dbraw/zinc/92/16/73/650921673.db2.gz TVGALGLFKMJQCN-UHFFFAOYSA-N 1 0 375.579 2.178 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)Nc3cncc(Br)c3)CC2)CC1 ZINC000179054348 644451849 /nfs/dbraw/zinc/45/18/49/644451849.db2.gz AFZAZYWJGMBKFU-UHFFFAOYSA-N 1 0 396.333 2.335 20 0 GEADRO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000179460854 644461213 /nfs/dbraw/zinc/46/12/13/644461213.db2.gz NPDPCAWBMBNXMR-NHYWBVRUSA-N 1 0 384.274 2.186 20 0 GEADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Br)cc1Br ZINC000179458934 644461232 /nfs/dbraw/zinc/46/12/32/644461232.db2.gz KMOGLLYUQQKLAB-ZDUSSCGKSA-N 1 0 394.107 2.254 20 0 GEADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000179460857 644461255 /nfs/dbraw/zinc/46/12/55/644461255.db2.gz HOVMNPFPENVNRO-LLVKDONJSA-N 1 0 394.324 2.336 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(Br)n1 ZINC000179728458 644472632 /nfs/dbraw/zinc/47/26/32/644472632.db2.gz MEXJDGZPEFPQKY-ZDUSSCGKSA-N 1 0 397.317 2.328 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000179901910 644479247 /nfs/dbraw/zinc/47/92/47/644479247.db2.gz XXGPIGOYUVFIJK-ZDUSSCGKSA-N 1 0 397.317 2.267 20 0 GEADRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180060303 644485470 /nfs/dbraw/zinc/48/54/70/644485470.db2.gz OQXWLJOQVQKYKD-UONOGXRCSA-N 1 0 379.551 2.493 20 0 GEADRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)Cn2cc(Br)cn2)ncn1 ZINC000180571295 644508108 /nfs/dbraw/zinc/50/81/08/644508108.db2.gz SAUMZCRGKQYFQY-GXTWGEPZSA-N 1 0 394.321 2.124 20 0 GEADRO COc1ccc([C@H](C)[NH2+]CCOCCS(C)(=O)=O)cc1Br ZINC000181146206 644526163 /nfs/dbraw/zinc/52/61/63/644526163.db2.gz OUAVSHOEBREZNX-NSHDSACASA-N 1 0 380.304 2.170 20 0 GEADRO COC[C@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000181506368 644540363 /nfs/dbraw/zinc/54/03/63/644540363.db2.gz BNECVCRBSMYRMA-KRWDZBQOSA-N 1 0 382.551 2.491 20 0 GEADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000543998287 650930344 /nfs/dbraw/zinc/93/03/44/650930344.db2.gz PWYDMFRMIDVTTE-FRRDWIJNSA-N 1 0 387.933 2.084 20 0 GEADRO CC(C)OCC[NH+]1CCC(Nc2cc(Br)cnc2C(N)=O)CC1 ZINC000544369750 650940228 /nfs/dbraw/zinc/94/02/28/650940228.db2.gz RYAWQAKLTGLGDY-UHFFFAOYSA-N 1 0 385.306 2.244 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000544449784 650942335 /nfs/dbraw/zinc/94/23/35/650942335.db2.gz TUMUWKMTFBCKHG-VXGBXAGGSA-N 1 0 378.947 2.478 20 0 GEADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(I)c(O)c3)[C@@H]2C1 ZINC000544876474 650957267 /nfs/dbraw/zinc/95/72/67/650957267.db2.gz CWRGNYTVHWCTDC-ZWNOBZJWSA-N 1 0 386.233 2.163 20 0 GEADRO COc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc1Br ZINC000182653351 644966539 /nfs/dbraw/zinc/96/65/39/644966539.db2.gz OVQKCWSQKIZFTK-RYUDHWBXSA-N 1 0 386.290 2.082 20 0 GEADRO COc1ccc(O)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000182651941 644966620 /nfs/dbraw/zinc/96/66/20/644966620.db2.gz HWBLZCLWRWDVTR-UHFFFAOYSA-N 1 0 376.887 2.184 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000183176158 644984130 /nfs/dbraw/zinc/98/41/30/644984130.db2.gz AWRCGIZHVRKZBM-JQWIXIFHSA-N 1 0 389.315 2.400 20 0 GEADRO Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(Br)n1 ZINC000184172059 645012050 /nfs/dbraw/zinc/01/20/50/645012050.db2.gz MHVNZESEUOQSPU-UHFFFAOYSA-N 1 0 383.334 2.298 20 0 GEADRO Cc1ccsc1S(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000545366782 650971341 /nfs/dbraw/zinc/97/13/41/650971341.db2.gz QWCMYAIBYYIUIB-KRWDZBQOSA-N 1 0 380.535 2.492 20 0 GEADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)CC(=O)N(C)C)C2=O)ccc1Br ZINC000184992027 645030346 /nfs/dbraw/zinc/03/03/46/645030346.db2.gz RPXRUHZIGWWOLD-IUODEOHRSA-N 1 0 382.302 2.319 20 0 GEADRO Cc1cc(N2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2=O)ccc1Br ZINC000185414950 645044626 /nfs/dbraw/zinc/04/46/26/645044626.db2.gz HFNDPIZVXPGKPA-OAHLLOKOSA-N 1 0 382.302 2.319 20 0 GEADRO COCC[N@H+](CCO)Cc1cc(Br)cc(Br)c1N ZINC000185720601 645052286 /nfs/dbraw/zinc/05/22/86/645052286.db2.gz AXJJYXJHIJFWDG-UHFFFAOYSA-N 1 0 382.096 2.235 20 0 GEADRO C[NH+](C)CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186179096 645062438 /nfs/dbraw/zinc/06/24/38/645062438.db2.gz JSQDDGCXTZROJX-CQSZACIVSA-N 1 0 376.906 2.128 20 0 GEADRO CN(CC[N@H+](C)C1CC1)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000186719704 645072327 /nfs/dbraw/zinc/07/23/27/645072327.db2.gz WOSNDENFVDQADY-UHFFFAOYSA-N 1 0 379.917 2.440 20 0 GEADRO CC[N@H+](CCO)CCNC(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000187197715 645085145 /nfs/dbraw/zinc/08/51/45/645085145.db2.gz SCSPVRQPWZOFTB-CQSZACIVSA-N 1 0 386.334 2.384 20 0 GEADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCOc2cccc(Br)c2)C1(C)C ZINC000187491291 645092123 /nfs/dbraw/zinc/09/21/23/645092123.db2.gz ZUGLJUWYFGOGGZ-YOEHRIQHSA-N 1 0 385.302 2.477 20 0 GEADRO FC(F)(F)Cn1c(SCCC[NH+]2CCCC2)nnc1N1CCOCC1 ZINC000188306345 645112203 /nfs/dbraw/zinc/11/22/03/645112203.db2.gz MXCIWUIGLBHYKU-UHFFFAOYSA-N 1 0 379.452 2.255 20 0 GEADRO O=C(NCCc1cc(Cl)ccc1Br)c1[nH]nc2c1C[NH2+]CC2 ZINC000188964760 645129340 /nfs/dbraw/zinc/12/93/40/645129340.db2.gz XWUXMFHKQXFSSC-UHFFFAOYSA-N 1 0 383.677 2.444 20 0 GEADRO CC1=CC[N@H+](CCNC(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000545858453 650982023 /nfs/dbraw/zinc/98/20/23/650982023.db2.gz SSIFYKDRMYIUSR-UHFFFAOYSA-N 1 0 395.301 2.339 20 0 GEADRO CNS(=O)(=O)CC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000190314220 645151628 /nfs/dbraw/zinc/15/16/28/645151628.db2.gz XAPGNGKVKPGVBS-LLVKDONJSA-N 1 0 394.337 2.197 20 0 GEADRO COc1cccc([C@H](CNC(=O)c2cc(Br)nn2C)[NH+](C)C)c1 ZINC000191885605 645184548 /nfs/dbraw/zinc/18/45/48/645184548.db2.gz JDWKBDVLBCWNMG-AWEZNQCLSA-N 1 0 381.274 2.224 20 0 GEADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)Nc1nc2c(s1)CCCC2 ZINC000192602928 645213819 /nfs/dbraw/zinc/21/38/19/645213819.db2.gz WUZRDEBJBFYKIG-QGZVFWFLSA-N 1 0 382.555 2.351 20 0 GEADRO CC[C@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)c1nc(C)cs1 ZINC000192609246 645214297 /nfs/dbraw/zinc/21/42/97/645214297.db2.gz YDORZTLHEIOGRG-AWEZNQCLSA-N 1 0 385.559 2.256 20 0 GEADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000192966412 645234872 /nfs/dbraw/zinc/23/48/72/645234872.db2.gz QLKHANFDKHLILN-NSHDSACASA-N 1 0 386.265 2.436 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N(C)CCC[NH+](C)C)nc12 ZINC000546117213 650991921 /nfs/dbraw/zinc/99/19/21/650991921.db2.gz JVCUAIUPHNVSMX-UHFFFAOYSA-N 1 0 382.306 2.498 20 0 GEADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1cnc(-c2ccco2)s1)c1cccs1 ZINC000193177774 645248463 /nfs/dbraw/zinc/24/84/63/645248463.db2.gz XSHCVSWLEAVWMF-NSHDSACASA-N 1 0 384.504 2.389 20 0 GEADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193186260 645249402 /nfs/dbraw/zinc/24/94/02/645249402.db2.gz DMOXKEHZQVKHGM-UHFFFAOYSA-N 1 0 385.306 2.411 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000193240555 645254687 /nfs/dbraw/zinc/25/46/87/645254687.db2.gz WPHZTMQSJUDMPL-GHMZBOCLSA-N 1 0 381.267 2.145 20 0 GEADRO CC(C)(C[NH3+])NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000193261179 645257150 /nfs/dbraw/zinc/25/71/50/645257150.db2.gz RMCYHMFRPIZTKI-UHFFFAOYSA-N 1 0 375.210 2.484 20 0 GEADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1 ZINC000193260164 645257273 /nfs/dbraw/zinc/25/72/73/645257273.db2.gz YNOWYVYLFNEKPE-SNVBAGLBSA-N 1 0 389.315 2.132 20 0 GEADRO C[C@H]([NH3+])CCC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000193259561 645257311 /nfs/dbraw/zinc/25/73/11/645257311.db2.gz ZJPPIQBRODOKBE-NSHDSACASA-N 1 0 391.331 2.245 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000193272257 645258910 /nfs/dbraw/zinc/25/89/10/645258910.db2.gz DEMUTTLJRVMTKD-NSHDSACASA-N 1 0 377.304 2.126 20 0 GEADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)[NH+](C)C ZINC000193280839 645260124 /nfs/dbraw/zinc/26/01/24/645260124.db2.gz PSIBAZCYPOLCHB-ZDUSSCGKSA-N 1 0 385.306 2.265 20 0 GEADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000193305580 645264754 /nfs/dbraw/zinc/26/47/54/645264754.db2.gz DRAIYJRPKZDAJW-LLVKDONJSA-N 1 0 392.319 2.203 20 0 GEADRO [NH3+][C@H](CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)C1CC1 ZINC000193314349 645266347 /nfs/dbraw/zinc/26/63/47/645266347.db2.gz NPNMPOYSVNGARJ-HUUCEWRRSA-N 1 0 388.917 2.304 20 0 GEADRO CC1(CNS(=O)(=O)c2cc(Br)cnc2Cl)CC[NH2+]CC1 ZINC000193373223 645268671 /nfs/dbraw/zinc/26/86/71/645268671.db2.gz WHELOXGRCVCWRY-UHFFFAOYSA-N 1 0 382.711 2.166 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1Cl ZINC000193430825 645272666 /nfs/dbraw/zinc/27/26/66/645272666.db2.gz AHAYYVDQDCGNQA-UHFFFAOYSA-N 1 0 380.853 2.208 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c(Cl)cc1Cl ZINC000193452495 645274209 /nfs/dbraw/zinc/27/42/09/645274209.db2.gz UFPCEMDSZOKEEL-PRHODGIISA-N 1 0 381.281 2.199 20 0 GEADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCCC[NH+](C)C ZINC000193482331 645277663 /nfs/dbraw/zinc/27/76/63/645277663.db2.gz ABVVKWWLVOICHD-UHFFFAOYSA-N 1 0 376.682 2.417 20 0 GEADRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000193550331 645281996 /nfs/dbraw/zinc/28/19/96/645281996.db2.gz IYOHKGQWDXEULL-GFCCVEGCSA-N 1 0 383.286 2.221 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193566656 645284575 /nfs/dbraw/zinc/28/45/75/645284575.db2.gz LVSCLLOBAGRLPL-MLGOLLRUSA-N 1 0 387.933 2.241 20 0 GEADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ncc1Br ZINC000193575103 645285491 /nfs/dbraw/zinc/28/54/91/645285491.db2.gz ZUCKYNRDHAGQFW-OCCSQVGLSA-N 1 0 395.301 2.034 20 0 GEADRO Cc1cc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)ncc1Br ZINC000193615933 645290279 /nfs/dbraw/zinc/29/02/79/645290279.db2.gz HKQONJJAFHVBFV-UHFFFAOYSA-N 1 0 397.317 2.328 20 0 GEADRO Cc1c(C(=O)NCC[NH+]2CCCC2)nnn1-c1cccc(Br)c1 ZINC000193741046 645295706 /nfs/dbraw/zinc/29/57/06/645295706.db2.gz SYVMGBQXTDTURG-UHFFFAOYSA-N 1 0 378.274 2.164 20 0 GEADRO CNc1ncnc2c1cnn2C[C@H](O)COc1cccc(Br)c1 ZINC000193756860 645296694 /nfs/dbraw/zinc/29/66/94/645296694.db2.gz WIOBRBVMZDTYJG-NSHDSACASA-N 1 0 378.230 2.070 20 0 GEADRO Cc1nc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1Br ZINC000193791957 645299465 /nfs/dbraw/zinc/29/94/65/645299465.db2.gz LNADKJKSIDBPDH-GFCCVEGCSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)ncc1Br ZINC000193792162 645299645 /nfs/dbraw/zinc/29/96/45/645299645.db2.gz XFOBSQZZDWBDAP-ZDUSSCGKSA-N 1 0 397.317 2.472 20 0 GEADRO Cc1cc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)ncc1Br ZINC000193792150 645299659 /nfs/dbraw/zinc/29/96/59/645299659.db2.gz XFOBSQZZDWBDAP-CYBMUJFWSA-N 1 0 397.317 2.472 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000194335526 645322066 /nfs/dbraw/zinc/32/20/66/645322066.db2.gz SXJYBOJCCUNNJU-UHFFFAOYSA-N 1 0 387.933 2.241 20 0 GEADRO O=C(Cn1nc(Cl)sc1=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000194655868 645340311 /nfs/dbraw/zinc/34/03/11/645340311.db2.gz HJFKDTKFAAVRJO-UHFFFAOYSA-N 1 0 384.914 2.146 20 0 GEADRO COCC[N@@H+]1CC[C@@H](Nc2ncnc3cccc(I)c32)C1 ZINC000546572529 651002599 /nfs/dbraw/zinc/00/25/99/651002599.db2.gz IPVWSVULXZZRHI-LLVKDONJSA-N 1 0 398.248 2.367 20 0 GEADRO Cc1c([C@H](C)NC[C@@]2(O)CC[N@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000546574957 651002652 /nfs/dbraw/zinc/00/26/52/651002652.db2.gz NBFUXMFKNYQAIB-SJCJKPOMSA-N 1 0 394.317 2.055 20 0 GEADRO [NH3+]C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCC1 ZINC000194770386 645347924 /nfs/dbraw/zinc/34/79/24/645347924.db2.gz HBKIOBOZMCOVJN-LBPRGKRZSA-N 1 0 392.275 2.153 20 0 GEADRO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)nn1-c1ccc(Cl)cc1Cl ZINC000546585435 651003317 /nfs/dbraw/zinc/00/33/17/651003317.db2.gz NIDOOGVBGVZELB-QGZVFWFLSA-N 1 0 383.279 2.284 20 0 GEADRO O=C(NCCNC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000195373137 645374996 /nfs/dbraw/zinc/37/49/96/645374996.db2.gz JOEWVSLONPEWMP-UHFFFAOYSA-N 1 0 394.313 2.170 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cnc1Cl ZINC000226353499 645390551 /nfs/dbraw/zinc/39/05/51/645390551.db2.gz YOPGRORSAHMYDL-MNOVXSKESA-N 1 0 394.722 2.403 20 0 GEADRO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000228314437 645395602 /nfs/dbraw/zinc/39/56/02/645395602.db2.gz MGMRPKOUWSYOLN-VIFPVBQESA-N 1 0 383.105 2.488 20 0 GEADRO C[C@]1(O)CCC[N@H+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000230376902 645398627 /nfs/dbraw/zinc/39/86/27/645398627.db2.gz CUVKXHDKYOJTLA-HNNXBMFYSA-N 1 0 388.249 2.467 20 0 GEADRO C[C@@]1(NS(=O)(=O)c2cc(Br)ccc2Br)CC[NH2+]C1 ZINC000230736637 645399825 /nfs/dbraw/zinc/39/98/25/645399825.db2.gz QKLZLHAEGPKSRF-LLVKDONJSA-N 1 0 398.120 2.242 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)c1cc(I)ccc1O ZINC000233465976 645405916 /nfs/dbraw/zinc/40/59/16/645405916.db2.gz HCVIPWDKAOVMHA-UHFFFAOYSA-N 1 0 376.238 2.411 20 0 GEADRO 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Cc1nc(CC(C)C)c(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000261915013 645611527 /nfs/dbraw/zinc/61/15/27/645611527.db2.gz UFPBHQREQFDZCS-CYBMUJFWSA-N 1 0 378.464 2.216 20 0 GEADRO COCC1(CNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC[NH2+]CC1 ZINC000261925684 645612527 /nfs/dbraw/zinc/61/25/27/645612527.db2.gz CDCAJRMXVIUESH-CYBMUJFWSA-N 1 0 385.302 2.349 20 0 GEADRO COCC1(CNS(=O)(=O)c2ccc(Br)cc2C)CC[NH2+]CC1 ZINC000261930266 645613185 /nfs/dbraw/zinc/61/31/85/645613185.db2.gz CSZPSMZWQSLTOP-UHFFFAOYSA-N 1 0 391.331 2.052 20 0 GEADRO C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261941628 645614289 /nfs/dbraw/zinc/61/42/89/645614289.db2.gz JKBKLYWOLIGANC-BXUZGUMPSA-N 1 0 379.810 2.060 20 0 GEADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCC1C[NH2+]C1 ZINC000262000179 645614819 /nfs/dbraw/zinc/61/48/19/645614819.db2.gz ZUTZXUNXIRNHJG-UHFFFAOYSA-N 1 0 377.286 2.260 20 0 GEADRO C[C@@]1(C[NH3+])CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000262022423 645615540 /nfs/dbraw/zinc/61/55/40/645615540.db2.gz OXOMPTGFFAYEPQ-KRWDZBQOSA-N 1 0 378.523 2.126 20 0 GEADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262101381 645617183 /nfs/dbraw/zinc/61/71/83/645617183.db2.gz DBYKAHYZLOVDQL-BDAKNGLRSA-N 1 0 381.242 2.242 20 0 GEADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1(c2cccc(Cl)c2)CC1 ZINC000262114971 645617978 /nfs/dbraw/zinc/61/79/78/645617978.db2.gz VWRINHFVMPFDTA-AWEZNQCLSA-N 1 0 375.822 2.324 20 0 GEADRO COCC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C)CC[NH2+]CC1 ZINC000262227702 645620662 /nfs/dbraw/zinc/62/06/62/645620662.db2.gz GLKGONXVKGJTEI-UHFFFAOYSA-N 1 0 380.432 2.308 20 0 GEADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000262242968 645621770 /nfs/dbraw/zinc/62/17/70/645621770.db2.gz WFJSILSGCDRAQA-ZDUSSCGKSA-N 1 0 381.782 2.319 20 0 GEADRO NC(=O)[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1cccc(Br)c1 ZINC000262250237 645622551 /nfs/dbraw/zinc/62/25/51/645622551.db2.gz INSMYQSIYORADL-SRECWOJOSA-N 1 0 394.313 2.245 20 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/nfs/dbraw/zinc/63/78/13/645637813.db2.gz GWQLCAGULBWTGH-MCMMXHMISA-N 1 0 387.343 2.453 20 0 GEADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000262573483 645637913 /nfs/dbraw/zinc/63/79/13/645637913.db2.gz GWQLCAGULBWTGH-XMHCIUCPSA-N 1 0 387.343 2.453 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000262585656 645638605 /nfs/dbraw/zinc/63/86/05/645638605.db2.gz OJWHIIUJFAKCSM-GHMZBOCLSA-N 1 0 388.331 2.168 20 0 GEADRO O=C(NCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1cccc(Br)c1 ZINC000262597855 645639244 /nfs/dbraw/zinc/63/92/44/645639244.db2.gz XHHZQAAGJXLXIQ-KBXCAEBGSA-N 1 0 394.313 2.075 20 0 GEADRO O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262614245 645639842 /nfs/dbraw/zinc/63/98/42/645639842.db2.gz FHVVDAPLXIZADR-OWCLPIDISA-N 1 0 379.913 2.208 20 0 GEADRO Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nnn1-c1cccc(Br)c1 ZINC000262611174 645640024 /nfs/dbraw/zinc/64/00/24/645640024.db2.gz DFFGRNJJDLIKFP-KGLIPLIRSA-N 1 0 390.285 2.305 20 0 GEADRO COc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000262739851 645643883 /nfs/dbraw/zinc/64/38/83/645643883.db2.gz BPNZHJNGMKFKJI-QWRGUYRKSA-N 1 0 377.304 2.206 20 0 GEADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262749199 645644379 /nfs/dbraw/zinc/64/43/79/645644379.db2.gz FWYKHOUMROESGL-DTWKUNHWSA-N 1 0 397.722 2.482 20 0 GEADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC[NH2+]1 ZINC000262798892 645646175 /nfs/dbraw/zinc/64/61/75/645646175.db2.gz UVGFUWVIEQHXDS-IPYPFGDCSA-N 1 0 388.917 2.174 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000264387522 645682897 /nfs/dbraw/zinc/68/28/97/645682897.db2.gz JSNJMVSHELFGPW-LBPRGKRZSA-N 1 0 381.933 2.385 20 0 GEADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000264494150 645685693 /nfs/dbraw/zinc/68/56/93/645685693.db2.gz JPBAZAQERFHSIG-OAHLLOKOSA-N 1 0 393.285 2.085 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CC3(Cl)Cl)c2)C1 ZINC000264559637 645691765 /nfs/dbraw/zinc/69/17/65/645691765.db2.gz QNRNHAGGUNTSIX-LSDHHAIUSA-N 1 0 384.307 2.194 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000264614449 645696095 /nfs/dbraw/zinc/69/60/95/645696095.db2.gz AJJWPCQCHNIIKE-CQSZACIVSA-N 1 0 385.555 2.137 20 0 GEADRO O=S(=O)(c1cncc(Br)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000264651653 645698482 /nfs/dbraw/zinc/69/84/82/645698482.db2.gz XEHCPQWIMPCNKN-CQSZACIVSA-N 1 0 388.331 2.483 20 0 GEADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000264660883 645699003 /nfs/dbraw/zinc/69/90/03/645699003.db2.gz YQUUAWHEOBPPDI-CQSZACIVSA-N 1 0 386.901 2.376 20 0 GEADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2sccc2S(=O)(=O)N(C)C)C1 ZINC000264677905 645701504 /nfs/dbraw/zinc/70/15/04/645701504.db2.gz NRTZTRDQUHUUSJ-ZIAGYGMSSA-N 1 0 387.571 2.096 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264732156 645708510 /nfs/dbraw/zinc/70/85/10/645708510.db2.gz NGFJIJLKCUZUMK-CYBMUJFWSA-N 1 0 385.306 2.133 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000264742882 645710034 /nfs/dbraw/zinc/71/00/34/645710034.db2.gz KZGDBOUVHSIJAM-MRXNPFEDSA-N 1 0 380.330 2.233 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000264800130 645719204 /nfs/dbraw/zinc/71/92/04/645719204.db2.gz ZYSLIETXRFHSKK-CYBMUJFWSA-N 1 0 381.933 2.037 20 0 GEADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC000264804422 645719778 /nfs/dbraw/zinc/71/97/78/645719778.db2.gz ARYCAGNPCGJQCQ-GFCCVEGCSA-N 1 0 398.301 2.244 20 0 GEADRO COc1ccc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)cc1Br ZINC000264876670 645726110 /nfs/dbraw/zinc/72/61/10/645726110.db2.gz NPYVAHVQWGIYJF-UHFFFAOYSA-N 1 0 398.301 2.196 20 0 GEADRO O=C(CCN1C(=S)N=NC1c1cccs1)N1CC[NH+](C2CCC2)CC1 ZINC000265081146 645740717 /nfs/dbraw/zinc/74/07/17/645740717.db2.gz QNEVDDRLPOBARP-UHFFFAOYSA-N 1 0 377.539 2.382 20 0 GEADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000265106840 645742634 /nfs/dbraw/zinc/74/26/34/645742634.db2.gz VVEXIXSSNRATLI-AWEZNQCLSA-N 1 0 375.560 2.035 20 0 GEADRO CC(=O)N1CCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000265192021 645749223 /nfs/dbraw/zinc/74/92/23/645749223.db2.gz CKLHGNACUPXYLN-QGZVFWFLSA-N 1 0 396.329 2.350 20 0 GEADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000265346207 645754331 /nfs/dbraw/zinc/75/43/31/645754331.db2.gz ASDZEINJMANWAU-CYBMUJFWSA-N 1 0 398.301 2.387 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000265351824 645754932 /nfs/dbraw/zinc/75/49/32/645754932.db2.gz XQYYHCURRHPIJC-LBPRGKRZSA-N 1 0 378.416 2.394 20 0 GEADRO C[NH+](C)C/C=C/C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000265613069 645780919 /nfs/dbraw/zinc/78/09/19/645780919.db2.gz FUEINFMTBSQALC-DIECRNLCSA-N 1 0 395.301 2.139 20 0 GEADRO COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC000265907792 645812325 /nfs/dbraw/zinc/81/23/25/645812325.db2.gz JTGKGSQVSUGCPZ-FZMZJTMJSA-N 1 0 376.284 2.047 20 0 GEADRO CC[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000266684074 645858883 /nfs/dbraw/zinc/85/88/83/645858883.db2.gz AGYRMFYBZKBNQR-SNVBAGLBSA-N 1 0 380.436 2.369 20 0 GEADRO CC[NH+](CC)CCSCC(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000266722147 645860470 /nfs/dbraw/zinc/86/04/70/645860470.db2.gz FPDNSIXVKZZQHH-UHFFFAOYSA-N 1 0 383.583 2.498 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000267008212 645872823 /nfs/dbraw/zinc/87/28/23/645872823.db2.gz HHPMIHHVCRHUIK-KBPBESRZSA-N 1 0 389.315 2.363 20 0 GEADRO O=C(NC[C@@]1(O)CCSC1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000267081389 645879644 /nfs/dbraw/zinc/87/96/44/645879644.db2.gz YGTNESNKZTUNGR-SFHVURJKSA-N 1 0 381.567 2.267 20 0 GEADRO CN(Cc1nccn1CC(F)(F)F)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267230384 645889858 /nfs/dbraw/zinc/88/98/58/645889858.db2.gz WJBCUNLZYVBDSY-CQSZACIVSA-N 1 0 379.452 2.024 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CCSC1 ZINC000267275652 645894692 /nfs/dbraw/zinc/89/46/92/645894692.db2.gz FTRQZKBFJNYTLG-HNNXBMFYSA-N 1 0 376.309 2.485 20 0 GEADRO COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267284141 645895155 /nfs/dbraw/zinc/89/51/55/645895155.db2.gz HKWSZRIREMULLE-KRWDZBQOSA-N 1 0 385.917 2.149 20 0 GEADRO C[NH+](C)C1CCN(CCNC(=O)NCCc2ccccc2Br)CC1 ZINC000267388389 645899209 /nfs/dbraw/zinc/89/92/09/645899209.db2.gz VZNPTJOPKJMDGY-UHFFFAOYSA-N 1 0 397.361 2.317 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCc1cc(Cl)ccc1Br ZINC000267458582 645904338 /nfs/dbraw/zinc/90/43/38/645904338.db2.gz QTKJUWJPXBUIBJ-CQSZACIVSA-N 1 0 388.737 2.397 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)c1cccn2c(I)cnc12 ZINC000267471314 645905570 /nfs/dbraw/zinc/90/55/70/645905570.db2.gz PGEWHZNJOXFEEQ-UHFFFAOYSA-N 1 0 386.237 2.009 20 0 GEADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cn1cnc2sccc2c1=O ZINC000267734945 645921854 /nfs/dbraw/zinc/92/18/54/645921854.db2.gz NUOPUPVVLYXSEG-UHFFFAOYSA-N 1 0 376.507 2.110 20 0 GEADRO C[C@@H](C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000268154950 645948697 /nfs/dbraw/zinc/94/86/97/645948697.db2.gz GZXGKVKNSSFXBJ-RHSMWYFYSA-N 1 0 386.945 2.411 20 0 GEADRO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1Br ZINC000268187367 645951276 /nfs/dbraw/zinc/95/12/76/645951276.db2.gz PAQHPTHNLBJADH-NHYWBVRUSA-N 1 0 380.286 2.295 20 0 GEADRO C[NH+](C)[C@@]1(CNC(=O)NCc2nnc(-c3ccccc3)s2)CCSC1 ZINC000268438334 645968440 /nfs/dbraw/zinc/96/84/40/645968440.db2.gz UHFCPEGTKBOTRS-QGZVFWFLSA-N 1 0 377.539 2.442 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548043264 651062380 /nfs/dbraw/zinc/06/23/80/651062380.db2.gz BWQGJXFCDRGTTN-LBPRGKRZSA-N 1 0 382.507 2.451 20 0 GEADRO COc1ccc(C(=O)NCCCC[NH+](C)C)cc1I ZINC000268741072 645994955 /nfs/dbraw/zinc/99/49/55/645994955.db2.gz ZODULWACEAYBCQ-UHFFFAOYSA-N 1 0 376.238 2.371 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000268759697 645996761 /nfs/dbraw/zinc/99/67/61/645996761.db2.gz ZSJWKXCTNJZWEA-UHFFFAOYSA-N 1 0 386.290 2.426 20 0 GEADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000268849918 645999949 /nfs/dbraw/zinc/99/99/49/645999949.db2.gz WFPDMUUMVZNQGP-QGZVFWFLSA-N 1 0 396.329 2.417 20 0 GEADRO C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268852091 646000149 /nfs/dbraw/zinc/00/01/49/646000149.db2.gz HHYOBFVKGROWAK-CYBMUJFWSA-N 1 0 376.469 2.444 20 0 GEADRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000268859148 646000844 /nfs/dbraw/zinc/00/08/44/646000844.db2.gz CZDWOJKDPBTTCP-BDJLRTHQSA-N 1 0 381.441 2.130 20 0 GEADRO COCC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000268899360 646004225 /nfs/dbraw/zinc/00/42/25/646004225.db2.gz OJZAOIQLIQFYRQ-CQSZACIVSA-N 1 0 384.318 2.430 20 0 GEADRO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cccc(N2CCCS2(=O)=O)c1 ZINC000268912356 646005028 /nfs/dbraw/zinc/00/50/28/646005028.db2.gz NDWYLJPWVAQBCC-ZDUSSCGKSA-N 1 0 379.448 2.371 20 0 GEADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000268917748 646005919 /nfs/dbraw/zinc/00/59/19/646005919.db2.gz SVPBYRQWBVWLNR-IAQYHMDHSA-N 1 0 381.274 2.223 20 0 GEADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268931863 646007118 /nfs/dbraw/zinc/00/71/18/646007118.db2.gz YTVPYTHDQZLFJA-ARFHVFGLSA-N 1 0 382.302 2.409 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2nc3ccsc3s2)CC1 ZINC000268951836 646009469 /nfs/dbraw/zinc/00/94/69/646009469.db2.gz VNOROJAAGWGUDZ-LBPRGKRZSA-N 1 0 379.511 2.128 20 0 GEADRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)ccc1OC(F)F ZINC000269036512 646011522 /nfs/dbraw/zinc/01/15/22/646011522.db2.gz SOKZANAOOCUGMG-AAEUAGOBSA-N 1 0 378.441 2.371 20 0 GEADRO CSCC[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000269060952 646012598 /nfs/dbraw/zinc/01/25/98/646012598.db2.gz JYLOGGZCHHOJEU-CJNGLKHVSA-N 1 0 383.945 2.022 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000269112589 646016114 /nfs/dbraw/zinc/01/61/14/646016114.db2.gz DOBPXTZNFFNUNB-LRDDRELGSA-N 1 0 386.901 2.231 20 0 GEADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269224622 646023151 /nfs/dbraw/zinc/02/31/51/646023151.db2.gz MTSOFSOUJMCTMQ-UKRRQHHQSA-N 1 0 383.286 2.500 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1CCC[NH2+]C1 ZINC000269229271 646023517 /nfs/dbraw/zinc/02/35/17/646023517.db2.gz VKSYSUKSVZVLTM-BFHYXJOUSA-N 1 0 394.313 2.306 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000269226031 646023524 /nfs/dbraw/zinc/02/35/24/646023524.db2.gz UBJGHGZBMKQNLN-WBMJQRKESA-N 1 0 387.933 2.178 20 0 GEADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000269277804 646024108 /nfs/dbraw/zinc/02/41/08/646024108.db2.gz YFCGLVYPIRPSEU-GAFUQQFSSA-N 1 0 378.274 2.257 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000269335578 646027898 /nfs/dbraw/zinc/02/78/98/646027898.db2.gz DOXSKMDTMKDWBV-NSHDSACASA-N 1 0 377.304 2.172 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccccc1I ZINC000269449717 646035272 /nfs/dbraw/zinc/03/52/72/646035272.db2.gz GGTDJNQNIBLEPH-XHDPSFHLSA-N 1 0 384.261 2.433 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C(N)=O)o1 ZINC000269524761 646045974 /nfs/dbraw/zinc/04/59/74/646045974.db2.gz YQAVVOAJAXJCMW-UHFFFAOYSA-N 1 0 394.269 2.345 20 0 GEADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000269803653 646060977 /nfs/dbraw/zinc/06/09/77/646060977.db2.gz SSPPEGYIKVJDNO-UHFFFAOYSA-N 1 0 386.823 2.094 20 0 GEADRO C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)c3cncc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000270029302 646084931 /nfs/dbraw/zinc/08/49/31/646084931.db2.gz XZSANOLNVSKSCL-ZIAGYGMSSA-N 1 0 387.933 2.245 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)ccc2O)ccc1=O ZINC000270345171 646105127 /nfs/dbraw/zinc/10/51/27/646105127.db2.gz OPDQXPSZFTZKHA-UHFFFAOYSA-N 1 0 380.242 2.130 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000270504556 646112666 /nfs/dbraw/zinc/11/26/66/646112666.db2.gz DZSPPGIPYWDJEM-UKRRQHHQSA-N 1 0 380.286 2.439 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000270534151 646117286 /nfs/dbraw/zinc/11/72/86/646117286.db2.gz BKJYPUWFNNOYHC-ABAIWWIYSA-N 1 0 380.286 2.295 20 0 GEADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)cc1 ZINC000270953210 646157386 /nfs/dbraw/zinc/15/73/86/646157386.db2.gz MJSZXQRMBNAKAI-WFASDCNBSA-N 1 0 382.302 2.009 20 0 GEADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000271001373 646164034 /nfs/dbraw/zinc/16/40/34/646164034.db2.gz YEMQYETWMLCNFB-LBPRGKRZSA-N 1 0 387.933 2.050 20 0 GEADRO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000271060183 646169673 /nfs/dbraw/zinc/16/96/73/646169673.db2.gz KGOVNZLOOPQRIQ-AWEZNQCLSA-N 1 0 390.908 2.450 20 0 GEADRO CSc1cc2c(cc1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1)OCCO2 ZINC000271327604 646191651 /nfs/dbraw/zinc/19/16/51/646191651.db2.gz MOGOISDZMZIMME-UHFFFAOYSA-N 1 0 386.539 2.036 20 0 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CCC[C@H]([NH3+])c1cn(CC(=O)N(C)Cc2ccccc2Br)nn1 ZINC000323534786 647298067 /nfs/dbraw/zinc/29/80/67/647298067.db2.gz OCZMNZXEZSHNBA-AWEZNQCLSA-N 1 0 380.290 2.499 20 0 GEADRO O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329998398 647327939 /nfs/dbraw/zinc/32/79/39/647327939.db2.gz SFDOILSZJYJTFL-UHFFFAOYSA-N 1 0 380.436 2.084 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000330469067 647339528 /nfs/dbraw/zinc/33/95/28/647339528.db2.gz UURQFBPXFKZGGN-VXGBXAGGSA-N 1 0 387.571 2.190 20 0 GEADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000330469065 647339572 /nfs/dbraw/zinc/33/95/72/647339572.db2.gz UURQFBPXFKZGGN-RYUDHWBXSA-N 1 0 387.571 2.190 20 0 GEADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000331205953 647370597 /nfs/dbraw/zinc/37/05/97/647370597.db2.gz XXMZFQZHROICMG-NWANDNLSSA-N 1 0 387.933 2.425 20 0 GEADRO C[C@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[C@@H]1[NH3+] ZINC000331482131 647386006 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20 0 GEADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000332436485 647437410 /nfs/dbraw/zinc/43/74/10/647437410.db2.gz KFUWYVVPGZCAKW-OWCLPIDISA-N 1 0 375.579 2.219 20 0 GEADRO Cc1csc(N2CCN(S(=O)(=O)c3ccc(C[NH+](C)C)cc3)CC2)n1 ZINC000332479566 647440217 /nfs/dbraw/zinc/44/02/17/647440217.db2.gz WAUUEUXWNXWYHO-UHFFFAOYSA-N 1 0 380.539 2.024 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332541519 647443616 /nfs/dbraw/zinc/44/36/16/647443616.db2.gz DEUIPKLTSMRUDZ-NOZJJQNGSA-N 1 0 386.677 2.251 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332558202 647445133 /nfs/dbraw/zinc/44/51/33/647445133.db2.gz OPENHSNNPPVEBT-GXTWGEPZSA-N 1 0 380.286 2.215 20 0 GEADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332632780 647450307 /nfs/dbraw/zinc/45/03/07/647450307.db2.gz WVUYYWZHZMMNJL-ZJUUUORDSA-N 1 0 386.677 2.109 20 0 GEADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccncc2Br)CC1 ZINC000333111311 647462923 /nfs/dbraw/zinc/46/29/23/647462923.db2.gz FBFOMKWRVZIGGZ-UKRRQHHQSA-N 1 0 383.290 2.016 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[NH2+]1 ZINC000333379471 647470455 /nfs/dbraw/zinc/47/04/55/647470455.db2.gz VZBVLBPWBNHTSN-SECBINFHSA-N 1 0 382.287 2.793 20 0 GEADRO O=S(=O)(C[C@@H]1CCCC1(F)F)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333428711 647472738 /nfs/dbraw/zinc/47/27/38/647472738.db2.gz NFLKULFBLGGHOI-CWRNSKLLSA-N 1 0 380.501 2.109 20 0 GEADRO CCc1n[nH]c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1Br ZINC000333440337 647473839 /nfs/dbraw/zinc/47/38/39/647473839.db2.gz PLCVQAFFIBFMSR-KGLIPLIRSA-N 1 0 399.333 2.232 20 0 GEADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000333601240 647475609 /nfs/dbraw/zinc/47/56/09/647475609.db2.gz QNAOUNBQHVRGFN-CHWSQXEVSA-N 1 0 398.305 2.072 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)n1 ZINC000333808230 647483297 /nfs/dbraw/zinc/48/32/97/647483297.db2.gz PFGMSBNOLCJLES-IUODEOHRSA-N 1 0 384.322 2.246 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)nc12 ZINC000333832151 647483853 /nfs/dbraw/zinc/48/38/53/647483853.db2.gz SYOKJXGRVZNYLJ-CHWSQXEVSA-N 1 0 392.301 2.156 20 0 GEADRO O=C1[C@H]2CSCCN2C(=O)N1C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000348748083 647499746 /nfs/dbraw/zinc/49/97/46/647499746.db2.gz WQEJYVKBWXOGLP-WXRRBKDZSA-N 1 0 377.432 2.171 20 0 GEADRO C[NH+](C)[C@]1(CN2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)CCSC1 ZINC000349228078 647502065 /nfs/dbraw/zinc/50/20/65/647502065.db2.gz HCJAMLJAFXLQCV-CJNGLKHVSA-N 1 0 398.326 2.479 20 0 GEADRO CCCCCc1nnc(NC(=O)CN2CC[NH+]([C@@H]3CCSC3)CC2)s1 ZINC000360574333 647558404 /nfs/dbraw/zinc/55/84/04/647558404.db2.gz ZRWPDAOFVZKBPP-CQSZACIVSA-N 1 0 383.587 2.332 20 0 GEADRO O=C(CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Nc1cccc(Br)c1 ZINC000361166445 647560993 /nfs/dbraw/zinc/56/09/93/647560993.db2.gz BIHFVLIFGUQNMN-SJORKVTESA-N 1 0 396.329 2.309 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000361598900 647562080 /nfs/dbraw/zinc/56/20/80/647562080.db2.gz KRADBDLVNYBCIO-VXGBXAGGSA-N 1 0 396.285 2.139 20 0 GEADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)n1 ZINC000362177751 647567687 /nfs/dbraw/zinc/56/76/87/647567687.db2.gz LKBRFVUDWGUOKK-OAHLLOKOSA-N 1 0 395.345 2.393 20 0 GEADRO C[NH+](C)CCN1CCCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000362220653 647568593 /nfs/dbraw/zinc/56/85/93/647568593.db2.gz NJZWGGWRNVORRL-UHFFFAOYSA-N 1 0 386.309 2.227 20 0 GEADRO O=C(c1cnn2cc(Br)cnc12)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362328239 647569206 /nfs/dbraw/zinc/56/92/06/647569206.db2.gz XBMHKJSJWHOFBK-CQDKDKBSSA-N 1 0 390.285 2.048 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000362337723 647569790 /nfs/dbraw/zinc/56/97/90/647569790.db2.gz XMBBKDDEEUEBCF-HNNXBMFYSA-N 1 0 385.961 2.437 20 0 GEADRO CN(C(=O)c1cc(Cl)c(Cl)[nH]1)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000362872361 647575322 /nfs/dbraw/zinc/57/53/22/647575322.db2.gz BCWVCEGEABSRAS-UHFFFAOYSA-N 1 0 387.311 2.480 20 0 GEADRO CSCC[C@H]1NC(=S)N(C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1=O ZINC000363033313 647580301 /nfs/dbraw/zinc/58/03/01/647580301.db2.gz LOJMMEDFLSOKJR-HZPDHXFCSA-N 1 0 378.567 2.132 20 0 GEADRO O=C(CCOc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363099783 647584447 /nfs/dbraw/zinc/58/44/47/647584447.db2.gz YEOLQMWSOYVAMF-HOCLYGCPSA-N 1 0 383.286 2.197 20 0 GEADRO Cc1ccc([C@H]2CSCC[N@@H+]2CCC(=O)NC(=O)NCC(F)(F)F)o1 ZINC000363144121 647586650 /nfs/dbraw/zinc/58/66/50/647586650.db2.gz SOLKIOBBCUMAAD-LLVKDONJSA-N 1 0 379.404 2.456 20 0 GEADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000363199868 647588083 /nfs/dbraw/zinc/58/80/83/647588083.db2.gz AAEFXILVIGDSJQ-HNNXBMFYSA-N 1 0 398.276 2.143 20 0 GEADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363265817 647590386 /nfs/dbraw/zinc/59/03/86/647590386.db2.gz IXEYIKLAUUXZOT-JGGQBBKZSA-N 1 0 383.286 2.196 20 0 GEADRO COC(=O)CSCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000363283610 647591370 /nfs/dbraw/zinc/59/13/70/647591370.db2.gz XRSGJQCLSTVZQJ-CZUORRHYSA-N 1 0 385.555 2.336 20 0 GEADRO CN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363390731 647594065 /nfs/dbraw/zinc/59/40/65/647594065.db2.gz VSINMNLASLOSJC-CVEARBPZSA-N 1 0 382.302 2.454 20 0 GEADRO O=C(NCc1ccc(Br)c(F)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363488934 647597210 /nfs/dbraw/zinc/59/72/10/647597210.db2.gz RAWBUHQBDBIYJA-STQMWFEESA-N 1 0 386.265 2.251 20 0 GEADRO CNc1nnc(CC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccc(Cl)c2)s1 ZINC000363900403 647611157 /nfs/dbraw/zinc/61/11/57/647611157.db2.gz FNYBTMFWKIBRAM-WBMJQRKESA-N 1 0 379.917 2.585 20 0 GEADRO CNc1nnc(CC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccc(Cl)c2)s1 ZINC000363900401 647611172 /nfs/dbraw/zinc/61/11/72/647611172.db2.gz FNYBTMFWKIBRAM-LRDDRELGSA-N 1 0 379.917 2.585 20 0 GEADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC000363911722 647612027 /nfs/dbraw/zinc/61/20/27/647612027.db2.gz ZPADEYBMKMOJPJ-UHFFFAOYSA-N 1 0 392.301 2.280 20 0 GEADRO NC(=O)[C@@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)c1cccc(Br)c1 ZINC000363950116 647613411 /nfs/dbraw/zinc/61/34/11/647613411.db2.gz RPFIELQJSUJYLF-HOCLYGCPSA-N 1 0 390.285 2.024 20 0 GEADRO NC(=O)[C@@H]([NH2+][C@@H]1CCCN(c2ccncn2)C1)c1cccc(Br)c1 ZINC000363950117 647613521 /nfs/dbraw/zinc/61/35/21/647613521.db2.gz RPFIELQJSUJYLF-ZBFHGGJFSA-N 1 0 390.285 2.024 20 0 GEADRO COc1ccc(Br)c(CC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c1 ZINC000364072672 647617895 /nfs/dbraw/zinc/61/78/95/647617895.db2.gz OIXMDRIZYRCLHD-UHFFFAOYSA-N 1 0 399.329 2.305 20 0 GEADRO O=C(c1c(Cl)cccc1Cl)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000364416019 647626162 /nfs/dbraw/zinc/62/61/62/647626162.db2.gz HUFKKSSUBDYMPK-UHFFFAOYSA-N 1 0 386.323 2.474 20 0 GEADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000364531238 647633311 /nfs/dbraw/zinc/63/33/11/647633311.db2.gz UFPZGVSKPITDRE-DZGCQCFKSA-N 1 0 380.286 2.439 20 0 GEADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000364561392 647635607 /nfs/dbraw/zinc/63/56/07/647635607.db2.gz NTHJQFGYLNYYRZ-YJBOKZPZSA-N 1 0 382.291 2.277 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364594378 647638283 /nfs/dbraw/zinc/63/82/83/647638283.db2.gz VMUKPPJOFSKULR-DYVFJYSZSA-N 1 0 380.286 2.154 20 0 GEADRO C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@@H](C)[NH+]1CCO ZINC000364837821 647645464 /nfs/dbraw/zinc/64/54/64/647645464.db2.gz HZJWYSRGIKRRDF-XNJGSVPQSA-N 1 0 386.323 2.486 20 0 GEADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000364925429 647649354 /nfs/dbraw/zinc/64/93/54/647649354.db2.gz ZHIOTQVPMSRPSP-KGLIPLIRSA-N 1 0 385.302 2.132 20 0 GEADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000364929119 647649704 /nfs/dbraw/zinc/64/97/04/647649704.db2.gz ANAXAAJZIZYOOB-LBPRGKRZSA-N 1 0 380.286 2.459 20 0 GEADRO C[C@H]1CCN(Cc2nnc(S(C)(=O)=O)s2)CCN1Cc1ccccc1 ZINC000364948736 647650749 /nfs/dbraw/zinc/65/07/49/647650749.db2.gz FJGFPEHFYGDFHB-AWEZNQCLSA-N 1 0 380.539 2.038 20 0 GEADRO Cc1cc(NC(=O)[C@H](C)N2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1Br ZINC000364958567 647652382 /nfs/dbraw/zinc/65/23/82/647652382.db2.gz ZWYYHNIZYSHWOR-GJZGRUSLSA-N 1 0 398.345 2.473 20 0 GEADRO COc1ccc(Br)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365186202 647663174 /nfs/dbraw/zinc/66/31/74/647663174.db2.gz VNKDFBYIOCVQKY-QWHCGFSZSA-N 1 0 384.274 2.442 20 0 GEADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365432325 647668853 /nfs/dbraw/zinc/66/88/53/647668853.db2.gz YGSYQFIDWJXBRN-VXGBXAGGSA-N 1 0 384.249 2.270 20 0 GEADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000366563281 647702268 /nfs/dbraw/zinc/70/22/68/647702268.db2.gz CWSBLAMPXNICTN-CVEARBPZSA-N 1 0 394.313 2.275 20 0 GEADRO O=C(COc1cccc(Br)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366566045 647702438 /nfs/dbraw/zinc/70/24/38/647702438.db2.gz GISYBJISFUZMFR-HNNXBMFYSA-N 1 0 383.286 2.197 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000367075723 647718014 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GEADRO O[C@H](COCC(F)(F)F)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000367930418 647748024 /nfs/dbraw/zinc/74/80/24/647748024.db2.gz IXPIZHLYPFMODJ-QWRGUYRKSA-N 1 0 375.313 2.479 20 0 GEADRO C[C@H](O)c1cnc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000368240656 647753245 /nfs/dbraw/zinc/75/32/45/647753245.db2.gz MLKWCJWXMZVFQE-NWDGAFQWSA-N 1 0 387.552 2.058 20 0 GEADRO Cc1csc(NC(=O)C2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)n1 ZINC000368390658 647756083 /nfs/dbraw/zinc/75/60/83/647756083.db2.gz BGJIAKAQMCCEGQ-LBPRGKRZSA-N 1 0 381.420 2.042 20 0 GEADRO [NH2+]=C(NO)[C@@H]1CCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000368525236 647757558 /nfs/dbraw/zinc/75/75/58/647757558.db2.gz OGZYZPKWWRZJGB-NSHDSACASA-N 1 0 391.216 2.476 20 0 GEADRO CS(=O)(=O)C1(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000368597529 647760617 /nfs/dbraw/zinc/76/06/17/647760617.db2.gz JLAWHYPSOFEJOW-CVEARBPZSA-N 1 0 384.929 2.259 20 0 GEADRO CCC[NH+]1CCC(N2CCN(C(=O)c3cc(Br)cn3C)CC2)CC1 ZINC000369258146 647773983 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C[NH+](C)CCNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000413884337 648081146 /nfs/dbraw/zinc/08/11/46/648081146.db2.gz RQLQXZWABIBSNJ-UHFFFAOYSA-N 1 0 383.334 2.274 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413892568 648081666 /nfs/dbraw/zinc/08/16/66/648081666.db2.gz JOFSGVRKAWNGLZ-CWRNSKLLSA-N 1 0 395.297 2.116 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)CCc2ccc(Br)c(C)c2)CC[N@H+](C)C1 ZINC000413900162 648082106 /nfs/dbraw/zinc/08/21/06/648082106.db2.gz KQAWSBDZWXLEPL-OAHLLOKOSA-N 1 0 397.313 2.253 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@H+](C)C1 ZINC000413899869 648082481 /nfs/dbraw/zinc/08/24/81/648082481.db2.gz YNRIIEJQIOLYLE-VNQPRFMTSA-N 1 0 395.297 2.116 20 0 GEADRO COC(=O)[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CC[N@H+](C)C1 ZINC000413911288 648084548 /nfs/dbraw/zinc/08/45/48/648084548.db2.gz YLZDLJAVWNPYCG-ZDUSSCGKSA-N 1 0 395.297 2.044 20 0 GEADRO COc1ccc(OC)c(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414310853 648091564 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C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415412177 648102945 /nfs/dbraw/zinc/10/29/45/648102945.db2.gz BXZINNZHERJEKW-SSDOTTSWSA-N 1 0 382.180 2.212 20 0 GEADRO COCCOc1c(Cl)cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000415413544 648103724 /nfs/dbraw/zinc/10/37/24/648103724.db2.gz YWSBAYPCBAEZLX-NSHDSACASA-N 1 0 378.256 2.129 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415466633 648105014 /nfs/dbraw/zinc/10/50/14/648105014.db2.gz HLFRROPVKBSWJF-SSDOTTSWSA-N 1 0 378.629 2.130 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415468616 648105550 /nfs/dbraw/zinc/10/55/50/648105550.db2.gz KMEJCWPPDCIBDR-SECBINFHSA-N 1 0 394.191 2.356 20 0 GEADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3nc(-c4cccs4)cs3)C[C@H]21 ZINC000415583528 648106854 /nfs/dbraw/zinc/10/68/54/648106854.db2.gz JPOZQRDYPQMQNT-QJPTWQEYSA-N 1 0 376.507 2.396 20 0 GEADRO COc1ccc(NC(=O)NC[C@H]2CCC[NH2+]2)c(I)c1 ZINC000415599860 648109197 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[NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415813125 648113873 /nfs/dbraw/zinc/11/38/73/648113873.db2.gz QBJQDQKLTLRXIN-WCBMZHEXSA-N 1 0 390.228 2.300 20 0 GEADRO COc1cc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)ccc1Cl ZINC000416482943 648142676 /nfs/dbraw/zinc/14/26/76/648142676.db2.gz HRKIFEJVYFEUFH-UHFFFAOYSA-N 1 0 378.947 2.454 20 0 GEADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000416498486 648150017 /nfs/dbraw/zinc/15/00/17/648150017.db2.gz XOWTZJUGMPQIJE-LLVKDONJSA-N 1 0 384.299 2.227 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000416559965 648171669 /nfs/dbraw/zinc/17/16/69/648171669.db2.gz RKFCUQONFDJZJP-LBPRGKRZSA-N 1 0 376.906 2.367 20 0 GEADRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(F)cc2Br)CC[N@H+](C)C1 ZINC000416778004 648212189 /nfs/dbraw/zinc/21/21/89/648212189.db2.gz XHKFTHJNDHCUBW-SNVBAGLBSA-N 1 0 388.237 2.157 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000416833822 648214233 /nfs/dbraw/zinc/21/42/33/648214233.db2.gz RJDQUOWDEVFCEK-YPMHNXCESA-N 1 0 397.317 2.322 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000416834280 648214236 /nfs/dbraw/zinc/21/42/36/648214236.db2.gz RZFFIMDZRAWWIG-NWDGAFQWSA-N 1 0 383.290 2.075 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000416838550 648214468 /nfs/dbraw/zinc/21/44/68/648214468.db2.gz ZCUPMADPPKTIOV-AAEUAGOBSA-N 1 0 383.290 2.136 20 0 GEADRO COc1ccc([C@@H](C)NC(=O)NCCCN2CC[NH2+]CC2)cc1Br ZINC000416894838 648215441 /nfs/dbraw/zinc/21/54/41/648215441.db2.gz RNWUNCINFPOUKJ-CYBMUJFWSA-N 1 0 399.333 2.113 20 0 GEADRO Cc1nc(-c2ccc(CCNC(=O)N3CCCO[C@@H](C[NH3+])C3)s2)cs1 ZINC000416910724 648216494 /nfs/dbraw/zinc/21/64/94/648216494.db2.gz LYMOGVCFZSCMFH-ZDUSSCGKSA-N 1 0 380.539 2.482 20 0 GEADRO Cc1csc([C@H](NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)C(F)(F)F)n1 ZINC000417175442 648228591 /nfs/dbraw/zinc/22/85/91/648228591.db2.gz JMZGTTQCGQGTQN-UTUOFQBUSA-N 1 0 380.436 2.151 20 0 GEADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000417194910 648230615 /nfs/dbraw/zinc/23/06/15/648230615.db2.gz NKJZPLNZDZSPDI-IAGOWNOFSA-N 1 0 395.345 2.493 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)NCCNC(=O)c1ccc(Br)cc1 ZINC000417203108 648231519 /nfs/dbraw/zinc/23/15/19/648231519.db2.gz CKMGJOBIDWIJTD-OAHLLOKOSA-N 1 0 397.317 2.010 20 0 GEADRO O=C(CCNC(=O)NC[C@@H]1CCC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000417211317 648232363 /nfs/dbraw/zinc/23/23/63/648232363.db2.gz FXIHUYCMRPFARU-GFCCVEGCSA-N 1 0 383.290 2.077 20 0 GEADRO CCCN(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000417216412 648233232 /nfs/dbraw/zinc/23/32/32/648233232.db2.gz BSCBAVADFLAKBE-UHFFFAOYSA-N 1 0 387.933 2.287 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417221445 648233682 /nfs/dbraw/zinc/23/36/82/648233682.db2.gz OUDLJFGZFORKMR-FZMZJTMJSA-N 1 0 380.290 2.414 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417224776 648234291 /nfs/dbraw/zinc/23/42/91/648234291.db2.gz IGAHEWDGMURAOF-OAHLLOKOSA-N 1 0 397.361 2.365 20 0 GEADRO C[C@]1(CNC(=O)NCc2cn3cc(Br)ccc3n2)CCC[NH2+]C1 ZINC000417229263 648235003 /nfs/dbraw/zinc/23/50/03/648235003.db2.gz XJYQGGXWNBALIT-INIZCTEOSA-N 1 0 380.290 2.286 20 0 GEADRO C[C@@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000417229638 648235232 /nfs/dbraw/zinc/23/52/32/648235232.db2.gz UOPCZRVLCNKPCW-OLZOCXBDSA-N 1 0 397.317 2.404 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417231368 648235642 /nfs/dbraw/zinc/23/56/42/648235642.db2.gz YBCASHURLQQQFK-VXGBXAGGSA-N 1 0 383.290 2.156 20 0 GEADRO [NH3+]C[C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417258387 648236958 /nfs/dbraw/zinc/23/69/58/648236958.db2.gz FCVZKXCPRFTQFQ-KBPBESRZSA-N 1 0 381.318 2.266 20 0 GEADRO CN(C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)C1CC([NH3+])C1 ZINC000417258923 648236987 /nfs/dbraw/zinc/23/69/87/648236987.db2.gz FXQZHQSLPAHJTO-XEBKBJJBSA-N 1 0 381.318 2.407 20 0 GEADRO [NH3+][C@H](CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000417259171 648237010 /nfs/dbraw/zinc/23/70/10/648237010.db2.gz GIRZZYUIAFTKGT-BLLLJJGKSA-N 1 0 381.318 2.312 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[NH2+]1 ZINC000417297101 648238320 /nfs/dbraw/zinc/23/83/20/648238320.db2.gz IDLDYIIIVSERHJ-ZYHUDNBSSA-N 1 0 384.274 2.160 20 0 GEADRO [NH3+]C1CCC(NC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000417304949 648238655 /nfs/dbraw/zinc/23/86/55/648238655.db2.gz VPCQVCOBQPNCJY-UHFFFAOYSA-N 1 0 384.274 2.289 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCC[NH2+]CC1 ZINC000417365416 648240894 /nfs/dbraw/zinc/24/08/94/648240894.db2.gz ITFQVYOWYJQEMW-UHFFFAOYSA-N 1 0 383.290 2.091 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC ZINC000417377968 648241847 /nfs/dbraw/zinc/24/18/47/648241847.db2.gz QKEKPXATEJNDSE-PWSUYJOCSA-N 1 0 386.290 2.345 20 0 GEADRO COc1cc(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc(Br)c1OC ZINC000417379140 648242459 /nfs/dbraw/zinc/24/24/59/648242459.db2.gz SFNZJRJDWNGESZ-GWCFXTLKSA-N 1 0 386.290 2.345 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417434875 648244861 /nfs/dbraw/zinc/24/48/61/648244861.db2.gz MODIPCDUBZHHQN-UHFFFAOYSA-N 1 0 399.333 2.386 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417430750 648244975 /nfs/dbraw/zinc/24/49/75/648244975.db2.gz JVKYZQCJIGVFRA-WFASDCNBSA-N 1 0 397.317 2.090 20 0 GEADRO CC[NH2+]CCNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417432468 648245053 /nfs/dbraw/zinc/24/50/53/648245053.db2.gz TWAWKNBXUFDTNA-UHFFFAOYSA-N 1 0 384.318 2.406 20 0 GEADRO O=C(NCCc1ccc(I)s1)NCC1=CC[NH2+]CC1 ZINC000417436369 648245501 /nfs/dbraw/zinc/24/55/01/648245501.db2.gz DNYOJFVPJYJXFX-UHFFFAOYSA-N 1 0 391.278 2.114 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(I)s2)C1 ZINC000417438601 648246020 /nfs/dbraw/zinc/24/60/20/648246020.db2.gz JVJYCMJPMPPRJY-NXEZZACHSA-N 1 0 393.294 2.322 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000417478834 648248086 /nfs/dbraw/zinc/24/80/86/648248086.db2.gz DTVMNYQEELJZFP-GXTWGEPZSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417478698 648248252 /nfs/dbraw/zinc/24/82/52/648248252.db2.gz DQXDQWHLJWCLSX-ZDUSSCGKSA-N 1 0 397.317 2.385 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000417478841 648248285 /nfs/dbraw/zinc/24/82/85/648248285.db2.gz DTVMNYQEELJZFP-JSGCOSHPSA-N 1 0 397.317 2.465 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417481145 648248574 /nfs/dbraw/zinc/24/85/74/648248574.db2.gz HDXXSMADPLRDLW-ZDUSSCGKSA-N 1 0 383.290 2.137 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417480632 648248695 /nfs/dbraw/zinc/24/86/95/648248695.db2.gz GMNGUJHBLBAEHJ-UHFFFAOYSA-N 1 0 383.290 2.217 20 0 GEADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417481833 648249084 /nfs/dbraw/zinc/24/90/84/648249084.db2.gz OPGNMZLDGWMYAL-SNPRPXQTSA-N 1 0 381.318 2.454 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCC(C[NH3+])CC1 ZINC000417494235 648250296 /nfs/dbraw/zinc/25/02/96/648250296.db2.gz XJJISPRATKGABN-UHFFFAOYSA-N 1 0 397.317 2.466 20 0 GEADRO CSC1(CNC(=O)Nc2cc(C)n(CC(F)(F)F)n2)CC[NH+](C)CC1 ZINC000417595253 648254643 /nfs/dbraw/zinc/25/46/43/648254643.db2.gz NQWQFKWFUKIPRO-UHFFFAOYSA-N 1 0 379.452 2.703 20 0 GEADRO CC[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)Cc1cccc(Br)c1 ZINC000417714223 648258319 /nfs/dbraw/zinc/25/83/19/648258319.db2.gz CKJVXKUWZVPSAL-BBRMVZONSA-N 1 0 384.318 2.387 20 0 GEADRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417718816 648258569 /nfs/dbraw/zinc/25/85/69/648258569.db2.gz CATFTGIHXYPVEH-LLVKDONJSA-N 1 0 393.289 2.033 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417721097 648259279 /nfs/dbraw/zinc/25/92/79/648259279.db2.gz FKPNYKPFDSGAAU-GWCFXTLKSA-N 1 0 393.289 2.031 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417739696 648261010 /nfs/dbraw/zinc/26/10/10/648261010.db2.gz WZGNWJFLSDSUPU-CYBMUJFWSA-N 1 0 393.289 2.128 20 0 GEADRO CC(C)([NH3+])CNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417865327 648263505 /nfs/dbraw/zinc/26/35/05/648263505.db2.gz CMAFPXMGODDEMB-SNVBAGLBSA-N 1 0 379.814 2.369 20 0 GEADRO C[C@@H]1CN(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000417897294 648265573 /nfs/dbraw/zinc/26/55/73/648265573.db2.gz XOKVXMDHMDUTHC-CQSZACIVSA-N 1 0 395.345 2.417 20 0 GEADRO COC[C@@]1(CNC(=O)N[C@H](C)Cc2ccccc2Br)CCC[NH2+]1 ZINC000417897044 648265724 /nfs/dbraw/zinc/26/57/24/648265724.db2.gz RARRJMKLYRSGPS-DYVFJYSZSA-N 1 0 384.318 2.448 20 0 GEADRO C[C@H](CCC[NH3+])NC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417921492 648266650 /nfs/dbraw/zinc/26/66/50/648266650.db2.gz ZZNNVJUWPHEPHW-CYBMUJFWSA-N 1 0 399.333 2.212 20 0 GEADRO C[C@H](C[NH3+])NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417959052 648267385 /nfs/dbraw/zinc/26/73/85/648267385.db2.gz VXNXVAADVJWEFJ-MRVPVSSYSA-N 1 0 384.196 2.493 20 0 GEADRO O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417969854 648267844 /nfs/dbraw/zinc/26/78/44/648267844.db2.gz ZUEVETSRWZAPOD-IAZYJMLFSA-N 1 0 378.782 2.040 20 0 GEADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](C)[NH2+]C[C@H]3C)nc12 ZINC000417995349 648268205 /nfs/dbraw/zinc/26/82/05/648268205.db2.gz ATUZLEPAHBQNJX-QWHCGFSZSA-N 1 0 394.317 2.340 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CCCO1 ZINC000418009765 648269499 /nfs/dbraw/zinc/26/94/99/648269499.db2.gz SEQBTVVRHXUPGR-OCCSQVGLSA-N 1 0 387.311 2.331 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418012568 648269509 /nfs/dbraw/zinc/26/95/09/648269509.db2.gz VXOKXMAMYDDSMV-IAQYHMDHSA-N 1 0 385.295 2.492 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)F ZINC000418016032 648269954 /nfs/dbraw/zinc/26/99/54/648269954.db2.gz ZMLXVDAVLMLPDP-RYUDHWBXSA-N 1 0 395.237 2.380 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)NC3(C)CC[NH2+]CC3)nc12 ZINC000418018316 648270809 /nfs/dbraw/zinc/27/08/09/648270809.db2.gz IONZUZIGPZDWRV-UHFFFAOYSA-N 1 0 380.290 2.347 20 0 GEADRO Cc1cc(N2CC[C@H](NC(=O)NCC3([NH3+])CCC3)C2=O)ccc1Br ZINC000418018696 648271002 /nfs/dbraw/zinc/27/10/02/648271002.db2.gz VMNSKNHTCGAZBC-AWEZNQCLSA-N 1 0 395.301 2.043 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)nc12 ZINC000418026079 648271748 /nfs/dbraw/zinc/27/17/48/648271748.db2.gz VRYUUHZWSLHZMT-WCQYABFASA-N 1 0 380.290 2.332 20 0 GEADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000418058579 648274265 /nfs/dbraw/zinc/27/42/65/648274265.db2.gz QLLPMXZHMAJJTN-LBPRGKRZSA-N 1 0 391.331 2.193 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418071209 648275106 /nfs/dbraw/zinc/27/51/06/648275106.db2.gz SJJGWAGOXOJKAK-AAEUAGOBSA-N 1 0 386.290 2.278 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418090332 648278332 /nfs/dbraw/zinc/27/83/32/648278332.db2.gz NUBMUXYJAJMSAZ-AWEZNQCLSA-N 1 0 378.274 2.138 20 0 GEADRO [NH3+]C[C@H]1CCCN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418091776 648278368 /nfs/dbraw/zinc/27/83/68/648278368.db2.gz QJJMMYRBVVRSNA-OAHLLOKOSA-N 1 0 378.274 2.268 20 0 GEADRO O=C(NCc1ccc(Cl)cc1I)NC[C@@H]1CCC[NH2+]1 ZINC000418090972 648278458 /nfs/dbraw/zinc/27/84/58/648278458.db2.gz OUYPTWHSZJDFCW-NSHDSACASA-N 1 0 393.656 2.496 20 0 GEADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418095488 648279122 /nfs/dbraw/zinc/27/91/22/648279122.db2.gz JFMTWPFKZQHCRB-OFQRWUPVSA-N 1 0 393.329 2.279 20 0 GEADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000418094501 648279162 /nfs/dbraw/zinc/27/91/62/648279162.db2.gz UTNVFEFLLVESMA-NSHDSACASA-N 1 0 376.213 2.340 20 0 GEADRO CN(C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)C1CC([NH3+])C1 ZINC000418098353 648279657 /nfs/dbraw/zinc/27/96/57/648279657.db2.gz ZNSMAGCRKOVQFP-UHFFFAOYSA-N 1 0 378.274 2.266 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)C(F)F ZINC000418107847 648281117 /nfs/dbraw/zinc/28/11/17/648281117.db2.gz ZVZKZZVFQHJHCJ-AAEUAGOBSA-N 1 0 391.260 2.310 20 0 GEADRO O=C(NCc1ccc(I)cc1Cl)N1CCC[NH2+]CC1 ZINC000418119878 648282474 /nfs/dbraw/zinc/28/24/74/648282474.db2.gz HCOALROYJVWVLM-UHFFFAOYSA-N 1 0 393.656 2.450 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cc(C)nn1C ZINC000418122865 648282966 /nfs/dbraw/zinc/28/29/66/648282966.db2.gz YJVVRAIZQNDILK-CYBMUJFWSA-N 1 0 382.302 2.440 20 0 GEADRO Cc1cc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1I ZINC000418135180 648284115 /nfs/dbraw/zinc/28/41/15/648284115.db2.gz ADJGQVVJXVHMNA-YGRLFVJLSA-N 1 0 387.265 2.397 20 0 GEADRO Cc1cc(CNC(=O)NC[C@H]([NH3+])C(C)C)ccc1I ZINC000418139682 648284270 /nfs/dbraw/zinc/28/42/70/648284270.db2.gz IGUCCUJRMCVNSW-ZDUSSCGKSA-N 1 0 375.254 2.382 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1I ZINC000418143046 648284696 /nfs/dbraw/zinc/28/46/96/648284696.db2.gz OJKLKIYCUOYEFZ-YPMHNXCESA-N 1 0 387.265 2.478 20 0 GEADRO Cc1cc(CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1I ZINC000418144683 648285114 /nfs/dbraw/zinc/28/51/14/648285114.db2.gz UPPVSKJIIQIYHW-NWDGAFQWSA-N 1 0 387.265 2.491 20 0 GEADRO CC(C)([NH3+])CNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418153895 648285401 /nfs/dbraw/zinc/28/54/01/648285401.db2.gz JDCMDDOFYXYUBJ-UHFFFAOYSA-N 1 0 381.645 2.481 20 0 GEADRO O=C(NCc1ccc(I)c(Cl)c1)N[C@@H]1CCC[NH2+]C1 ZINC000418166159 648285769 /nfs/dbraw/zinc/28/57/69/648285769.db2.gz UAYRGOBGZVRCHL-SNVBAGLBSA-N 1 0 393.656 2.496 20 0 GEADRO CO[C@@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)[C@@H](C[NH3+])C1 ZINC000418174551 648286829 /nfs/dbraw/zinc/28/68/29/648286829.db2.gz DLIGEIIXYGGWLH-GHMZBOCLSA-N 1 0 392.244 2.375 20 0 GEADRO [NH3+]CCC[C@H](NC(=O)NCCn1cc(Br)cn1)c1ccccc1 ZINC000418181502 648287098 /nfs/dbraw/zinc/28/70/98/648287098.db2.gz MHLDPOXRAZUPFH-HNNXBMFYSA-N 1 0 380.290 2.425 20 0 GEADRO O=C(NCCCn1cc(Br)cn1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418196170 648287172 /nfs/dbraw/zinc/28/71/72/648287172.db2.gz QQDJJVUBWIHYQI-JKSUJKDBSA-N 1 0 392.301 2.091 20 0 GEADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)C1 ZINC000418226372 648288095 /nfs/dbraw/zinc/28/80/95/648288095.db2.gz YUFDIDJKOOOMNI-YPMHNXCESA-N 1 0 384.933 2.275 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000418227896 648288148 /nfs/dbraw/zinc/28/81/48/648288148.db2.gz DBPXZUHHYWATRL-KBPBESRZSA-N 1 0 387.933 2.273 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418229268 648288421 /nfs/dbraw/zinc/28/84/21/648288421.db2.gz GPBQSZKGQAPWJC-UHFFFAOYSA-N 1 0 375.922 2.321 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418229457 648288556 /nfs/dbraw/zinc/28/85/56/648288556.db2.gz HBEFPAXSJJHAHE-OAHLLOKOSA-N 1 0 387.933 2.287 20 0 GEADRO C[C@@H]1CN(C(=O)NCc2c(Br)cncc2Br)CC[NH2+]1 ZINC000418233664 648288971 /nfs/dbraw/zinc/28/89/71/648288971.db2.gz HFBGHFKDMPFWFC-MRVPVSSYSA-N 1 0 392.095 2.110 20 0 GEADRO COCC[NH2+]CCNC(=O)NCCc1ccc(Br)cc1Cl ZINC000418230821 648289061 /nfs/dbraw/zinc/28/90/61/648289061.db2.gz JXTUPQIJMDANJF-UHFFFAOYSA-N 1 0 378.698 2.180 20 0 GEADRO C[C@@H]1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000418236196 648289254 /nfs/dbraw/zinc/28/92/54/648289254.db2.gz ULPHGRLSQHMGJI-KGLIPLIRSA-N 1 0 387.933 2.130 20 0 GEADRO O=C(NC/C=C\c1ccc(Br)cc1)NCCCN1CC[NH2+]CC1 ZINC000418238807 648289866 /nfs/dbraw/zinc/28/98/66/648289866.db2.gz AOMAGDJDCPGWPY-IWQZZHSRSA-N 1 0 381.318 2.057 20 0 GEADRO CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)NCC[NH3+] ZINC000418291386 648291084 /nfs/dbraw/zinc/29/10/84/648291084.db2.gz BHXURDIBDYFEBJ-ZDUSSCGKSA-N 1 0 386.290 2.107 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418293638 648291176 /nfs/dbraw/zinc/29/11/76/648291176.db2.gz FHSIYIAFDCRWSS-UHFFFAOYSA-N 1 0 383.334 2.276 20 0 GEADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418299370 648291609 /nfs/dbraw/zinc/29/16/09/648291609.db2.gz NKUVBYVHVKPJKD-INIZCTEOSA-N 1 0 397.361 2.317 20 0 GEADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NCCN1CC[NH2+]CC1 ZINC000418296898 648291641 /nfs/dbraw/zinc/29/16/41/648291641.db2.gz JYBPTVYNLNHFHS-UHFFFAOYSA-N 1 0 389.725 2.149 20 0 GEADRO O=C(NCCN1CC[NH2+]CC1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000418298558 648291682 /nfs/dbraw/zinc/29/16/82/648291682.db2.gz MKQIFZIEHGPHNA-INIZCTEOSA-N 1 0 399.308 2.340 20 0 GEADRO O=C(NCCC[NH2+]C1CC1)N(CCO)Cc1cc(Br)ccc1F ZINC000418305470 648292294 /nfs/dbraw/zinc/29/22/94/648292294.db2.gz YTLBZRMAIMSFGI-UHFFFAOYSA-N 1 0 388.281 2.234 20 0 GEADRO C[C@H](NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000418315877 648292492 /nfs/dbraw/zinc/29/24/92/648292492.db2.gz VWKUOIAKFCLSRJ-JVLSTEMRSA-N 1 0 388.281 2.309 20 0 GEADRO CC[NH2+]CCNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418323812 648292967 /nfs/dbraw/zinc/29/29/67/648292967.db2.gz IGLUVVCHSOTTBW-UHFFFAOYSA-N 1 0 387.297 2.025 20 0 GEADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418345368 648294112 /nfs/dbraw/zinc/29/41/12/648294112.db2.gz PDIUINCYSJARGM-MRXNPFEDSA-N 1 0 395.345 2.276 20 0 GEADRO C[NH2+]C[C@H](C)CNC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000418378318 648295332 /nfs/dbraw/zinc/29/53/32/648295332.db2.gz GCVKBFYJRNZMFB-LBPRGKRZSA-N 1 0 389.327 2.497 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418475522 648297342 /nfs/dbraw/zinc/29/73/42/648297342.db2.gz RCKRELNWIHXEHH-LBPRGKRZSA-N 1 0 387.297 2.010 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](C)C[NH3+] ZINC000418478362 648297491 /nfs/dbraw/zinc/29/74/91/648297491.db2.gz WXGYLIZLYVUZHW-NSHDSACASA-N 1 0 375.300 2.236 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418486585 648297917 /nfs/dbraw/zinc/29/79/17/648297917.db2.gz ILMYHANJMWSZHR-SMDDNHRTSA-N 1 0 381.826 2.412 20 0 GEADRO CCC[NH2+]CCNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418487409 648298347 /nfs/dbraw/zinc/29/83/47/648298347.db2.gz IIZRJWNRVFJRKN-CYBMUJFWSA-N 1 0 390.297 2.038 20 0 GEADRO C[C@H](C[NH3+])CNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418488036 648298401 /nfs/dbraw/zinc/29/84/01/648298401.db2.gz KHFGNTPQGRWUKA-GFCCVEGCSA-N 1 0 397.317 2.404 20 0 GEADRO COCC[NH2+]CCNC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000418504288 648298652 /nfs/dbraw/zinc/29/86/52/648298652.db2.gz BAVZNCXUUMIBAB-UHFFFAOYSA-N 1 0 380.436 2.287 20 0 GEADRO C[C@@]1(CNC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CCC[NH2+]C1 ZINC000418538579 648300907 /nfs/dbraw/zinc/30/09/07/648300907.db2.gz LDUHMPLWBONWSU-GDBMZVCRSA-N 1 0 388.281 2.311 20 0 GEADRO C[C@]1(CNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CCC[NH2+]C1 ZINC000418542376 648300978 /nfs/dbraw/zinc/30/09/78/648300978.db2.gz OKPRBFVNLKIIKN-SJCJKPOMSA-N 1 0 390.311 2.422 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)CC[NH3+] ZINC000418551262 648301388 /nfs/dbraw/zinc/30/13/88/648301388.db2.gz LVDRDTIOYIUHDF-LLVKDONJSA-N 1 0 375.300 2.378 20 0 GEADRO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418546817 648301415 /nfs/dbraw/zinc/30/14/15/648301415.db2.gz HVRJCGGEQSAYIH-GDBMZVCRSA-N 1 0 384.318 2.041 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000418569968 648301719 /nfs/dbraw/zinc/30/17/19/648301719.db2.gz CODGEHWFIUFEIC-NWANDNLSSA-N 1 0 384.318 2.169 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418574720 648302215 /nfs/dbraw/zinc/30/22/15/648302215.db2.gz GLEMBLVYMNYDLQ-WOPDTQHZSA-N 1 0 376.284 2.302 20 0 GEADRO C[C@@H](C[NH3+])NC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000418575607 648302391 /nfs/dbraw/zinc/30/23/91/648302391.db2.gz WRZBYKTWZVLTOR-AAEUAGOBSA-N 1 0 387.265 2.212 20 0 GEADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418578888 648302609 /nfs/dbraw/zinc/30/26/09/648302609.db2.gz QQHXDIWDHMYGFO-GXFFZTMASA-N 1 0 376.320 2.013 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418583984 648303168 /nfs/dbraw/zinc/30/31/68/648303168.db2.gz BPDTYFURBQMZRO-NHYWBVRUSA-N 1 0 388.281 2.090 20 0 GEADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418590445 648303572 /nfs/dbraw/zinc/30/35/72/648303572.db2.gz JKHJIPJXMYLQQC-GWCFXTLKSA-N 1 0 376.320 2.013 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418594998 648304059 /nfs/dbraw/zinc/30/40/59/648304059.db2.gz NTMIQOZNBOYFQA-CZUORRHYSA-N 1 0 381.318 2.279 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000418598963 648304072 /nfs/dbraw/zinc/30/40/72/648304072.db2.gz HEARXMWAQWIMHX-HIFRSBDPSA-N 1 0 386.334 2.206 20 0 GEADRO CCN(CCc1cccs1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609373 648304818 /nfs/dbraw/zinc/30/48/18/648304818.db2.gz FMHWRAXQTILLAS-CQSZACIVSA-N 1 0 378.464 2.158 20 0 GEADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1Cc2cccc(Cl)c2C1 ZINC000418610224 648304849 /nfs/dbraw/zinc/30/48/49/648304849.db2.gz GPKBQKUXSCXWCB-CQSZACIVSA-N 1 0 376.810 2.201 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000418614953 648305136 /nfs/dbraw/zinc/30/51/36/648305136.db2.gz XQWXKHZQPWHANT-IVMMDQJWSA-N 1 0 384.318 2.040 20 0 GEADRO O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418663770 648306409 /nfs/dbraw/zinc/30/64/09/648306409.db2.gz YOUHXAWVDHRNJU-XHSDSOJGSA-N 1 0 382.302 2.170 20 0 GEADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418668145 648306892 /nfs/dbraw/zinc/30/68/92/648306892.db2.gz HPTJXAQHDVFGPZ-HALDLXJZSA-N 1 0 383.323 2.081 20 0 GEADRO C[C@@H](CCCC[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000418674659 648306974 /nfs/dbraw/zinc/30/69/74/648306974.db2.gz PQKVNYBFWOIGBR-WFASDCNBSA-N 1 0 397.317 2.149 20 0 GEADRO CC[C@@H]([NH3+])CNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418691037 648307218 /nfs/dbraw/zinc/30/72/18/648307218.db2.gz DEWFXLYUHSUFGY-CYBMUJFWSA-N 1 0 387.297 2.153 20 0 GEADRO C[C@@H](CCC[NH3+])NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418696520 648307576 /nfs/dbraw/zinc/30/75/76/648307576.db2.gz ZSFZHTDTCTVNRM-LBPRGKRZSA-N 1 0 395.305 2.299 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418696733 648307655 /nfs/dbraw/zinc/30/76/55/648307655.db2.gz BBTJTVCPKURWPV-GHMZBOCLSA-N 1 0 375.300 2.377 20 0 GEADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000418717474 648308061 /nfs/dbraw/zinc/30/80/61/648308061.db2.gz JRVZCDSMSSZAIH-CJNGLKHVSA-N 1 0 384.318 2.471 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000418723389 648308334 /nfs/dbraw/zinc/30/83/34/648308334.db2.gz NWNYZPAXDPDIKC-DGCLKSJQSA-N 1 0 383.290 2.204 20 0 GEADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418720494 648308420 /nfs/dbraw/zinc/30/84/20/648308420.db2.gz JXLSTXSBVQKCDE-NEPJUHHUSA-N 1 0 384.278 2.186 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418737370 648308821 /nfs/dbraw/zinc/30/88/21/648308821.db2.gz ZLJKHNOBOOQERP-RYUDHWBXSA-N 1 0 387.297 2.151 20 0 GEADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418756971 648309730 /nfs/dbraw/zinc/30/97/30/648309730.db2.gz FJRBGJDPLLJEKT-GOEBONIOSA-N 1 0 377.897 2.427 20 0 GEADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418787971 648312525 /nfs/dbraw/zinc/31/25/25/648312525.db2.gz JMFUNZRVVTWXSL-RRCSTGOVSA-N 1 0 382.302 2.170 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000418799036 648312969 /nfs/dbraw/zinc/31/29/69/648312969.db2.gz VYBDXHXWGLUBCN-OWCLPIDISA-N 1 0 398.345 2.335 20 0 GEADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000418823795 648314720 /nfs/dbraw/zinc/31/47/20/648314720.db2.gz CKDWHONKAYHBBK-CYZMBNFOSA-N 1 0 388.295 2.135 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418841514 648316136 /nfs/dbraw/zinc/31/61/36/648316136.db2.gz ZCVITCWZPNBRRX-HRCADAONSA-N 1 0 396.329 2.253 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000418839995 648316251 /nfs/dbraw/zinc/31/62/51/648316251.db2.gz XGUZIVGUPADNKR-DLKVLKDVSA-N 1 0 394.313 2.007 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418842233 648316673 /nfs/dbraw/zinc/31/66/73/648316673.db2.gz IFXWNXLBPKLXRE-INWMFGNUSA-N 1 0 396.329 2.130 20 0 GEADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000418847883 648317002 /nfs/dbraw/zinc/31/70/02/648317002.db2.gz WVECOUFCPBGZHT-CYBMUJFWSA-N 1 0 396.329 2.274 20 0 GEADRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000418848924 648317465 /nfs/dbraw/zinc/31/74/65/648317465.db2.gz LYNSYYKMLWBMBO-OLZOCXBDSA-N 1 0 382.302 2.132 20 0 GEADRO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000418854110 648318224 /nfs/dbraw/zinc/31/82/24/648318224.db2.gz ARTSWCSTUKDOQZ-CYBMUJFWSA-N 1 0 396.329 2.474 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418859186 648318607 /nfs/dbraw/zinc/31/86/07/648318607.db2.gz XNYVVRILIAXBST-SWLSCSKDSA-N 1 0 382.302 2.102 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418859187 648319161 /nfs/dbraw/zinc/31/91/61/648319161.db2.gz XNYVVRILIAXBST-WFASDCNBSA-N 1 0 382.302 2.102 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000418872802 648320291 /nfs/dbraw/zinc/32/02/91/648320291.db2.gz WZCLZVFELWBKEH-LALPHHSUSA-N 1 0 382.302 2.355 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000418874196 648320324 /nfs/dbraw/zinc/32/03/24/648320324.db2.gz ZGIAZDOZXBKSSW-JMSVASOKSA-N 1 0 382.302 2.212 20 0 GEADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000418874518 648320428 /nfs/dbraw/zinc/32/04/28/648320428.db2.gz ZWZKOZRSBLSJJU-SCRDCRAPSA-N 1 0 382.302 2.212 20 0 GEADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418897303 648322083 /nfs/dbraw/zinc/32/20/83/648322083.db2.gz WYTKXSWTDIMKNO-UBHSHLNASA-N 1 0 384.307 2.424 20 0 GEADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)CCCCC1 ZINC000418948999 648324510 /nfs/dbraw/zinc/32/45/10/648324510.db2.gz UNCJNVJVZRZYQN-HNNXBMFYSA-N 1 0 394.313 2.330 20 0 GEADRO O=C(NCCc1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418949582 648324613 /nfs/dbraw/zinc/32/46/13/648324613.db2.gz VAVBYQOEMKIMDN-JHJVBQTASA-N 1 0 384.307 2.156 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])ccc1Br ZINC000418989500 648326843 /nfs/dbraw/zinc/32/68/43/648326843.db2.gz JZSYJSLFRJVPPX-SWLSCSKDSA-N 1 0 382.302 2.102 20 0 GEADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419021411 648328008 /nfs/dbraw/zinc/32/80/08/648328008.db2.gz MBQRAOYVCYGELF-SCLBCKFNSA-N 1 0 396.329 2.084 20 0 GEADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419029630 648328719 /nfs/dbraw/zinc/32/87/19/648328719.db2.gz YUKYUKOVYTURBA-XJKCOSOUSA-N 1 0 396.329 2.001 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419040975 648328972 /nfs/dbraw/zinc/32/89/72/648328972.db2.gz JNYVJCYDQQMDQI-AEJSXWLSSA-N 1 0 378.420 2.115 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419038251 648328987 /nfs/dbraw/zinc/32/89/87/648328987.db2.gz JKVYHJVSOOULNC-GFCCVEGCSA-N 1 0 396.702 2.241 20 0 GEADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419060717 648331841 /nfs/dbraw/zinc/33/18/41/648331841.db2.gz ZUAHAJXMQBLEJU-KGLIPLIRSA-N 1 0 396.329 2.002 20 0 GEADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000419067056 648332114 /nfs/dbraw/zinc/33/21/14/648332114.db2.gz KQEGJSZLVRVYMJ-WFASDCNBSA-N 1 0 382.302 2.102 20 0 GEADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419094207 648333236 /nfs/dbraw/zinc/33/32/36/648333236.db2.gz JHZROWFKENEPDN-JTQLQIEISA-N 1 0 378.325 2.054 20 0 GEADRO [NH3+]CCCCNC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419092606 648333247 /nfs/dbraw/zinc/33/32/47/648333247.db2.gz GOXQNJUFUPDLDD-UHFFFAOYSA-N 1 0 378.325 2.198 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000419106073 648334570 /nfs/dbraw/zinc/33/45/70/648334570.db2.gz JKAMEHQWPWKCTP-KCJUWKMLSA-N 1 0 396.207 2.022 20 0 GEADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419131335 648336336 /nfs/dbraw/zinc/33/63/36/648336336.db2.gz GQWGXFMJCKKBHZ-UHFFFAOYSA-N 1 0 390.311 2.322 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000419153701 648337646 /nfs/dbraw/zinc/33/76/46/648337646.db2.gz PZPCOWWSPDXZBB-DDUYRFODSA-N 1 0 394.313 2.212 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000419159871 648338445 /nfs/dbraw/zinc/33/84/45/648338445.db2.gz ZWZKOZRSBLSJJU-DYEKYZERSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000419236940 648342674 /nfs/dbraw/zinc/34/26/74/648342674.db2.gz BKWZAALGFANBME-NTZNESFSSA-N 1 0 398.326 2.098 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000419236941 648342765 /nfs/dbraw/zinc/34/27/65/648342765.db2.gz BKWZAALGFANBME-WZRBSPASSA-N 1 0 398.326 2.098 20 0 GEADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419277439 648343728 /nfs/dbraw/zinc/34/37/28/648343728.db2.gz GJUIRYUCOBFSBZ-GFCCVEGCSA-N 1 0 384.307 2.467 20 0 GEADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCc1sccc1Br ZINC000419293819 648345322 /nfs/dbraw/zinc/34/53/22/648345322.db2.gz BHNCVILQQKHFOG-GFCCVEGCSA-N 1 0 388.331 2.021 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419299672 648345536 /nfs/dbraw/zinc/34/55/36/648345536.db2.gz KHWTYKVCAOACPO-UONOGXRCSA-N 1 0 396.329 2.268 20 0 GEADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2c(C)cc(Br)cc2C)C1 ZINC000419300249 648346152 /nfs/dbraw/zinc/34/61/52/648346152.db2.gz LMWHCRAWMJPVQL-AWEZNQCLSA-N 1 0 396.329 2.140 20 0 GEADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419306674 648346501 /nfs/dbraw/zinc/34/65/01/648346501.db2.gz YTFYECJOECMWKE-INIZCTEOSA-N 1 0 396.329 2.316 20 0 GEADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)C(N)=O)c1 ZINC000419320186 648346632 /nfs/dbraw/zinc/34/66/32/648346632.db2.gz XDAJGVTVKTZTIL-QGZVFWFLSA-N 1 0 380.897 2.320 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc2c(cc1Br)OCCO2 ZINC000419328445 648347452 /nfs/dbraw/zinc/34/74/52/648347452.db2.gz OUSIGXTXRFLKDD-QWHCGFSZSA-N 1 0 385.302 2.107 20 0 GEADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1c(Cl)ccc(F)c1Cl ZINC000419333119 648348254 /nfs/dbraw/zinc/34/82/54/648348254.db2.gz IJDKZEYYTOMUFK-DCAQKATOSA-N 1 0 388.270 2.378 20 0 GEADRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C1(O)CCOCC1 ZINC000419370179 648350887 /nfs/dbraw/zinc/35/08/87/648350887.db2.gz JDTRJIALXGHQKR-CQSZACIVSA-N 1 0 385.302 2.133 20 0 GEADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cc(Br)cs1 ZINC000419425060 648352272 /nfs/dbraw/zinc/35/22/72/648352272.db2.gz DOXBLPWMSAGSKP-QWRGUYRKSA-N 1 0 376.320 2.107 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(Br)c(F)c1 ZINC000419451832 648353234 /nfs/dbraw/zinc/35/32/34/648353234.db2.gz VPJIACVGJLDJST-NWDGAFQWSA-N 1 0 388.281 2.185 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1ccsc1Br ZINC000419506078 648355171 /nfs/dbraw/zinc/35/51/71/648355171.db2.gz MNWNCRMWOQCTNH-GHMZBOCLSA-N 1 0 376.320 2.107 20 0 GEADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419586083 648357135 /nfs/dbraw/zinc/35/71/35/648357135.db2.gz LIHHLVPFPZOBJG-XZJROXQQSA-N 1 0 394.313 2.186 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000419592651 648357396 /nfs/dbraw/zinc/35/73/96/648357396.db2.gz WDZXLIUAOJWTHH-MRXNPFEDSA-N 1 0 394.313 2.011 20 0 GEADRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000419685618 648364366 /nfs/dbraw/zinc/36/43/66/648364366.db2.gz NAJJEOVYYUGSLD-RYUDHWBXSA-N 1 0 391.331 2.391 20 0 GEADRO C[C@H](NC(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CCC[NH2+]C1 ZINC000419691828 648365791 /nfs/dbraw/zinc/36/57/91/648365791.db2.gz AKSQGECTYVTQER-OPQQBVKSSA-N 1 0 386.279 2.047 20 0 GEADRO CN(C)c1ncc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)n1C ZINC000419699282 648366623 /nfs/dbraw/zinc/36/66/23/648366623.db2.gz WASIDNGUSJPBID-AWEZNQCLSA-N 1 0 381.318 2.189 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1Cl ZINC000419703115 648367343 /nfs/dbraw/zinc/36/73/43/648367343.db2.gz CKQBUTKQIFBWPB-UHFFFAOYSA-N 1 0 386.930 2.203 20 0 GEADRO Fc1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c(I)c1 ZINC000419706712 648368169 /nfs/dbraw/zinc/36/81/69/648368169.db2.gz DJNPURSFUVTXDB-OKILXGFUSA-N 1 0 390.240 2.383 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1Cl ZINC000419707486 648368265 /nfs/dbraw/zinc/36/82/65/648368265.db2.gz LYDOXADKXXGRGP-QAPCUYQASA-N 1 0 380.897 2.243 20 0 GEADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1C ZINC000419728211 648371783 /nfs/dbraw/zinc/37/17/83/648371783.db2.gz XUXGLPSUUVLMBN-INIZCTEOSA-N 1 0 382.913 2.297 20 0 GEADRO C[C@]1(CNC(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CCC[NH2+]C1 ZINC000419736898 648373271 /nfs/dbraw/zinc/37/32/71/648373271.db2.gz XOUKGEXBKRJDKM-SJCJKPOMSA-N 1 0 386.279 2.049 20 0 GEADRO CN(C(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CCC[NH2+]CC1 ZINC000419738622 648373310 /nfs/dbraw/zinc/37/33/10/648373310.db2.gz ZCECRUIHTAWUQZ-GWCFXTLKSA-N 1 0 386.279 2.144 20 0 GEADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCC[NH2+]C1 ZINC000419736899 648373319 /nfs/dbraw/zinc/37/33/19/648373319.db2.gz XOUKGEXBKRJDKM-SJKOYZFVSA-N 1 0 386.279 2.049 20 0 GEADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419741414 648373885 /nfs/dbraw/zinc/37/38/85/648373885.db2.gz CNCCXYBWCTZTRZ-WBMJQRKESA-N 1 0 396.329 2.082 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419753670 648374901 /nfs/dbraw/zinc/37/49/01/648374901.db2.gz ABBVRBAMVABSSQ-NSHDSACASA-N 1 0 398.237 2.311 20 0 GEADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419763108 648375822 /nfs/dbraw/zinc/37/58/22/648375822.db2.gz FDIPVDSUNPHCDO-SWLSCSKDSA-N 1 0 386.323 2.499 20 0 GEADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419766859 648376353 /nfs/dbraw/zinc/37/63/53/648376353.db2.gz ZBKCWHKRBQMJTB-JTQLQIEISA-N 1 0 396.221 2.079 20 0 GEADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419769424 648376814 /nfs/dbraw/zinc/37/68/14/648376814.db2.gz CLYMKSBVKIRTFY-UHTWSYAYSA-N 1 0 398.301 2.021 20 0 GEADRO O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419781037 648378306 /nfs/dbraw/zinc/37/83/06/648378306.db2.gz PJEVLXNTIZHXJF-HUUCEWRRSA-N 1 0 398.276 2.024 20 0 GEADRO O=C(N[C@H](CC1CC1)c1cc(F)cc(Br)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419784134 648378556 /nfs/dbraw/zinc/37/85/56/648378556.db2.gz UGVINDJQFKQDQE-LSDHHAIUSA-N 1 0 398.276 2.024 20 0 GEADRO CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1cc(F)cc(Br)c1 ZINC000419786288 648379192 /nfs/dbraw/zinc/37/91/92/648379192.db2.gz YFDGQIIJPZJLMM-UONOGXRCSA-N 1 0 386.265 2.009 20 0 GEADRO [NH3+]C1CCN(C(=O)C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000419786318 648379212 /nfs/dbraw/zinc/37/92/12/648379212.db2.gz YHTTXIUYXMCUHF-OAHLLOKOSA-N 1 0 398.276 2.105 20 0 GEADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000419815910 648381473 /nfs/dbraw/zinc/38/14/73/648381473.db2.gz JZAKYUURHVGVRO-KBPBESRZSA-N 1 0 376.291 2.468 20 0 GEADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000419833929 648383636 /nfs/dbraw/zinc/38/36/36/648383636.db2.gz ZQNBVLWAMCXGGE-UHFFFAOYSA-N 1 0 380.286 2.087 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419845698 648385006 /nfs/dbraw/zinc/38/50/06/648385006.db2.gz FODKIPXVEULHHZ-UHFFFAOYSA-N 1 0 394.313 2.023 20 0 GEADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000419851629 648385311 /nfs/dbraw/zinc/38/53/11/648385311.db2.gz OUYVWXRKVSNLRG-HNNXBMFYSA-N 1 0 398.276 2.120 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000419853717 648385422 /nfs/dbraw/zinc/38/54/22/648385422.db2.gz ATKPJVLVACXXBO-MEBBXXQBSA-N 1 0 388.295 2.073 20 0 GEADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419868861 648386370 /nfs/dbraw/zinc/38/63/70/648386370.db2.gz VVIXKGMDMFDEJT-CHWSQXEVSA-N 1 0 382.302 2.084 20 0 GEADRO [NH3+][C@@H](CNC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000419864982 648386457 /nfs/dbraw/zinc/38/64/57/648386457.db2.gz PAEDNOQZVQFGEJ-INIZCTEOSA-N 1 0 382.291 2.463 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419892047 648386852 /nfs/dbraw/zinc/38/68/52/648386852.db2.gz NPTMAXSMYQAWOP-CQSZACIVSA-N 1 0 394.313 2.023 20 0 GEADRO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000419892076 648386909 /nfs/dbraw/zinc/38/69/09/648386909.db2.gz NSIJGNYFMMYFCZ-HNNXBMFYSA-N 1 0 382.302 2.147 20 0 GEADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419908029 648387676 /nfs/dbraw/zinc/38/76/76/648387676.db2.gz HJUUGKUXACCWSP-UHFFFAOYSA-N 1 0 396.329 2.271 20 0 GEADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCCC[NH2+]C1CCCCC1 ZINC000419916501 648388621 /nfs/dbraw/zinc/38/86/21/648388621.db2.gz DZWZWMABWJXJHC-UHFFFAOYSA-N 1 0 387.933 2.047 20 0 GEADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@@H](C)C[NH3+])ccc1Br ZINC000419963351 648391592 /nfs/dbraw/zinc/39/15/92/648391592.db2.gz VZAJIAXVMLFTLT-XHDPSFHLSA-N 1 0 382.302 2.132 20 0 GEADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419991078 648393551 /nfs/dbraw/zinc/39/35/51/648393551.db2.gz GMCYRQBCQKENML-MRXNPFEDSA-N 1 0 396.329 2.255 20 0 GEADRO C[C@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419990422 648393626 /nfs/dbraw/zinc/39/36/26/648393626.db2.gz HTVFMNMNTCUCEQ-MNOVXSKESA-N 1 0 376.284 2.073 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419989459 648393695 /nfs/dbraw/zinc/39/36/95/648393695.db2.gz BAKNSUPVEMDHQI-HNNXBMFYSA-N 1 0 382.302 2.056 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1nc2ccccc2cc1Br ZINC000419998290 648394138 /nfs/dbraw/zinc/39/41/38/648394138.db2.gz MQRANFUOYVRNKB-KRWDZBQOSA-N 1 0 380.286 2.430 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419997273 648394205 /nfs/dbraw/zinc/39/42/05/648394205.db2.gz OFXKIVOEOZWRPU-IINYFYTJSA-N 1 0 386.265 2.105 20 0 GEADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000420007449 648395056 /nfs/dbraw/zinc/39/50/56/648395056.db2.gz CNICJMZMKFTSMD-QGZVFWFLSA-N 1 0 396.285 2.135 20 0 GEADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000420007446 648395108 /nfs/dbraw/zinc/39/51/08/648395108.db2.gz CNICJMZMKFTSMD-KRWDZBQOSA-N 1 0 396.285 2.135 20 0 GEADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000420017789 648396399 /nfs/dbraw/zinc/39/63/99/648396399.db2.gz WRSPEOMMQYNIPG-SNVBAGLBSA-N 1 0 380.901 2.119 20 0 GEADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)C1CC1 ZINC000420055898 648398294 /nfs/dbraw/zinc/39/82/94/648398294.db2.gz GYWDENGMHWOACQ-MRXNPFEDSA-N 1 0 381.929 2.277 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420055142 648398396 /nfs/dbraw/zinc/39/83/96/648398396.db2.gz LWKCAOZRCSJESD-MRXNPFEDSA-N 1 0 396.329 2.431 20 0 GEADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420071579 648399627 /nfs/dbraw/zinc/39/96/27/648399627.db2.gz WUMYSSZVRCAOSS-GOEBONIOSA-N 1 0 396.329 2.084 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000420082785 648399973 /nfs/dbraw/zinc/39/99/73/648399973.db2.gz RJDVOXSXHRTBCS-UHFFFAOYSA-N 1 0 388.281 2.180 20 0 GEADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000420083090 648400072 /nfs/dbraw/zinc/40/00/72/648400072.db2.gz SFFPMVMFJNAEFR-UHFFFAOYSA-N 1 0 388.281 2.180 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420118081 648402876 /nfs/dbraw/zinc/40/28/76/648402876.db2.gz IFBCATLVRKBIAI-CZUORRHYSA-N 1 0 396.329 2.443 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420129444 648404179 /nfs/dbraw/zinc/40/41/79/648404179.db2.gz QSKRIWMTUUOHQI-XJKSGUPXSA-N 1 0 396.329 2.443 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000420131365 648404193 /nfs/dbraw/zinc/40/41/93/648404193.db2.gz RXCKCPOJSXDFGW-DAXOMENPSA-N 1 0 394.313 2.227 20 0 GEADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000420161482 648406676 /nfs/dbraw/zinc/40/66/76/648406676.db2.gz VZNFORIGMJTNJG-CYBMUJFWSA-N 1 0 394.313 2.179 20 0 GEADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000420219611 648410211 /nfs/dbraw/zinc/41/02/11/648410211.db2.gz YSNJPYAJVXXBJL-DAXOMENPSA-N 1 0 394.313 2.356 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NCC(=O)Nc1ccccc1I ZINC000420358382 648414074 /nfs/dbraw/zinc/41/40/74/648414074.db2.gz INQQNSVJTLLUPT-GFCCVEGCSA-N 1 0 375.254 2.193 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)CN[C@H](C[NH3+])C(C)(C)C ZINC000420363652 648414086 /nfs/dbraw/zinc/41/40/86/648414086.db2.gz OFIGEXJMHLLKAI-OAHLLOKOSA-N 1 0 386.334 2.249 20 0 GEADRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)Nc1cccc(I)c1 ZINC000420360374 648414108 /nfs/dbraw/zinc/41/41/08/648414108.db2.gz LESVQFOPTXRESO-ZDUSSCGKSA-N 1 0 387.265 2.207 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H](C[NH3+])C2CCCCC2)c1 ZINC000420352385 648414134 /nfs/dbraw/zinc/41/41/34/648414134.db2.gz ALCOVGIJBUHQTA-MRXNPFEDSA-N 1 0 387.933 2.179 20 0 GEADRO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1I ZINC000420383976 648414970 /nfs/dbraw/zinc/41/49/70/648414970.db2.gz TVOCGPLHVXRTAE-MRXNPFEDSA-N 1 0 399.276 2.305 20 0 GEADRO C[C@H](C(=O)Nc1ccc(Br)cc1Br)N(C)CC[NH3+] ZINC000420377813 648415281 /nfs/dbraw/zinc/41/52/81/648415281.db2.gz LFZYSJNUZSNLDS-MRVPVSSYSA-N 1 0 379.096 2.429 20 0 GEADRO C[C@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000420395856 648415882 /nfs/dbraw/zinc/41/58/82/648415882.db2.gz DSAYRGAUMQOICE-QWHCGFSZSA-N 1 0 375.332 2.140 20 0 GEADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420446931 648416908 /nfs/dbraw/zinc/41/69/08/648416908.db2.gz IFYQLMAFYHWUCM-GXSJLCMTSA-N 1 0 379.707 2.475 20 0 GEADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000420448920 648417026 /nfs/dbraw/zinc/41/70/26/648417026.db2.gz MMIYKJOKTWZLJO-GFCCVEGCSA-N 1 0 382.404 2.144 20 0 GEADRO Cc1ccc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1I ZINC000420449850 648417548 /nfs/dbraw/zinc/41/75/48/648417548.db2.gz OGGAYIIHZDGRDA-UHFFFAOYSA-N 1 0 394.278 2.020 20 0 GEADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1OCCC1CC1 ZINC000420450466 648417639 /nfs/dbraw/zinc/41/76/39/648417639.db2.gz HIJJUMAHXYILGN-OAHLLOKOSA-N 1 0 388.917 2.176 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@H]3CC[C@H](C[NH3+])C3)ccc2s1 ZINC000420465734 648418753 /nfs/dbraw/zinc/41/87/53/648418753.db2.gz ZDSVQMZOPHOKTD-AAEUAGOBSA-N 1 0 382.507 2.484 20 0 GEADRO C[C@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000420480259 648421362 /nfs/dbraw/zinc/42/13/62/648421362.db2.gz OOBZEHBOXYLPFJ-DTWKUNHWSA-N 1 0 383.258 2.333 20 0 GEADRO C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@@H]1C[NH3+] ZINC000420480257 648421369 /nfs/dbraw/zinc/42/13/69/648421369.db2.gz OOBZEHBOXYLPFJ-BDAKNGLRSA-N 1 0 383.258 2.333 20 0 GEADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@H]2Cc2ccccc2Br)C1=O ZINC000420957375 648458987 /nfs/dbraw/zinc/45/89/87/648458987.db2.gz BLFYVPXPKBQTSV-JSGCOSHPSA-N 1 0 380.286 2.396 20 0 GEADRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000421032156 648462645 /nfs/dbraw/zinc/46/26/45/648462645.db2.gz YSPOGCCAEKJFCR-UKRRQHHQSA-N 1 0 385.302 2.132 20 0 GEADRO O=C1CNC(=O)N1CC[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421043956 648463182 /nfs/dbraw/zinc/46/31/82/648463182.db2.gz RQSJSYBCLJTFBH-OAHLLOKOSA-N 1 0 380.286 2.398 20 0 GEADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421183884 648468070 /nfs/dbraw/zinc/46/80/70/648468070.db2.gz BGBFSOJHXIRBLA-CYBMUJFWSA-N 1 0 394.313 2.281 20 0 GEADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421292097 648484219 /nfs/dbraw/zinc/48/42/19/648484219.db2.gz AAQKLJYKTUFVFP-ZDUSSCGKSA-N 1 0 398.301 2.339 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1F ZINC000421304169 648487116 /nfs/dbraw/zinc/48/71/16/648487116.db2.gz SZRVJQJSMCCENW-NSHDSACASA-N 1 0 386.265 2.388 20 0 GEADRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ncc(I)s2)CC1 ZINC000421350595 648488353 /nfs/dbraw/zinc/48/83/53/648488353.db2.gz MDVBRQUIZXURTP-KYZUINATSA-N 1 0 379.267 2.129 20 0 GEADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000421567894 648497371 /nfs/dbraw/zinc/49/73/71/648497371.db2.gz YWVADPMEOZUZAW-AWEZNQCLSA-N 1 0 396.329 2.098 20 0 GEADRO CN(CC(=O)N(C)C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(Br)s1 ZINC000421704342 648505513 /nfs/dbraw/zinc/50/55/13/648505513.db2.gz OKUIJALIMSITBB-LLVKDONJSA-N 1 0 388.331 2.135 20 0 GEADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)COc1cccc(I)c1 ZINC000421709307 648505906 /nfs/dbraw/zinc/50/59/06/648505906.db2.gz DMVBGGMPBMMSID-CYBMUJFWSA-N 1 0 388.249 2.223 20 0 GEADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000422088487 648520991 /nfs/dbraw/zinc/52/09/91/648520991.db2.gz HIWFFPDJTIGUMC-LBPRGKRZSA-N 1 0 388.331 2.068 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2c1cccc2Br ZINC000422164030 648526319 /nfs/dbraw/zinc/52/63/19/648526319.db2.gz MXZZDABSJSUEST-ZDUSSCGKSA-N 1 0 381.318 2.157 20 0 GEADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000422272143 648531562 /nfs/dbraw/zinc/53/15/62/648531562.db2.gz RPDCZIIISXFJPY-ILXRZTDVSA-N 1 0 381.567 2.087 20 0 GEADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422475562 648548485 /nfs/dbraw/zinc/54/84/85/648548485.db2.gz JBXDCUAWAXLORK-UHFFFAOYSA-N 1 0 398.345 2.154 20 0 GEADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422487320 648550877 /nfs/dbraw/zinc/55/08/77/648550877.db2.gz JXGQSXCHNDLFGI-AWEZNQCLSA-N 1 0 396.329 2.256 20 0 GEADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422523123 648556771 /nfs/dbraw/zinc/55/67/71/648556771.db2.gz WDUFHAJAPPWYSL-UHFFFAOYSA-N 1 0 384.318 2.174 20 0 GEADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@@H]1C[NH3+] ZINC000422555070 648558672 /nfs/dbraw/zinc/55/86/72/648558672.db2.gz OELZFDAQHVDPJI-UTUOFQBUSA-N 1 0 381.420 2.017 20 0 GEADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000422556724 648559044 /nfs/dbraw/zinc/55/90/44/648559044.db2.gz UKVREFBNEIJWBY-TUAOUCFPSA-N 1 0 376.906 2.351 20 0 GEADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC000422558358 648559139 /nfs/dbraw/zinc/55/91/39/648559139.db2.gz ZBKMQGHTJKZGDD-AGIUHOORSA-N 1 0 377.913 2.461 20 0 GEADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422923678 648577059 /nfs/dbraw/zinc/57/70/59/648577059.db2.gz SLSWPXYZAFCSMV-NEPJUHHUSA-N 1 0 381.782 2.016 20 0 GEADRO Cc1nc(-c2ccc(CCNC(=O)c3cn(CCC[NH3+])nn3)s2)cs1 ZINC000422950823 648578469 /nfs/dbraw/zinc/57/84/69/648578469.db2.gz ZCVASVHOHSGFKM-UHFFFAOYSA-N 1 0 376.511 2.093 20 0 GEADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000422958156 648578934 /nfs/dbraw/zinc/57/89/34/648578934.db2.gz WVKLOADFUYWSLK-UKRRQHHQSA-N 1 0 384.318 2.443 20 0 GEADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422978574 648579927 /nfs/dbraw/zinc/57/99/27/648579927.db2.gz ZQIKUPHEPOSEKN-XJKSGUPXSA-N 1 0 396.329 2.226 20 0 GEADRO [NH3+][C@@H]1CCCCC[C@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000423112372 648581459 /nfs/dbraw/zinc/58/14/59/648581459.db2.gz XHRUTITUNGCPQG-ZIAGYGMSSA-N 1 0 387.265 2.479 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000423115298 648581973 /nfs/dbraw/zinc/58/19/73/648581973.db2.gz XRWPFIRSINABQH-BJJXKVORSA-N 1 0 394.313 2.308 20 0 GEADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423113045 648582142 /nfs/dbraw/zinc/58/21/42/648582142.db2.gz YEZWYRFKXDYYEF-ZFWWWQNUSA-N 1 0 396.329 2.383 20 0 GEADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423122674 648582903 /nfs/dbraw/zinc/58/29/03/648582903.db2.gz KVTSGVHMYZQDGW-GOEBONIOSA-N 1 0 380.286 2.356 20 0 GEADRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000423129923 648583352 /nfs/dbraw/zinc/58/33/52/648583352.db2.gz RIQAUTZQDIZDAW-SWLSCSKDSA-N 1 0 382.302 2.073 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000423129922 648583396 /nfs/dbraw/zinc/58/33/96/648583396.db2.gz RIQAUTZQDIZDAW-IUODEOHRSA-N 1 0 382.302 2.073 20 0 GEADRO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2ncc(Br)cn2)CC[NH2+]CC1 ZINC000423134412 648583744 /nfs/dbraw/zinc/58/37/44/648583744.db2.gz RUJGHOGNHNKQPF-NWDGAFQWSA-N 1 0 385.306 2.211 20 0 GEADRO CCOC(=O)C1([C@@H](C)N[C@H](C)c2ncc(Br)cn2)CC[NH2+]CC1 ZINC000423134414 648584074 /nfs/dbraw/zinc/58/40/74/648584074.db2.gz RUJGHOGNHNKQPF-VXGBXAGGSA-N 1 0 385.306 2.211 20 0 GEADRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170274 648586594 /nfs/dbraw/zinc/58/65/94/648586594.db2.gz LMNPZGIAWXLIBF-MRRJBJDNSA-N 1 0 389.309 2.096 20 0 GEADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423196294 648587253 /nfs/dbraw/zinc/58/72/53/648587253.db2.gz ZHIFBSCDTBCRPM-KGLIPLIRSA-N 1 0 384.307 2.410 20 0 GEADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423244868 648588294 /nfs/dbraw/zinc/58/82/94/648588294.db2.gz OELWSSFLKDSSMY-INIZCTEOSA-N 1 0 398.345 2.282 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000423248943 648588456 /nfs/dbraw/zinc/58/84/56/648588456.db2.gz SFABXGUVCMSMBS-UKRRQHHQSA-N 1 0 396.329 2.036 20 0 GEADRO CC(C)C[C@H](C[NH3+])N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423258254 648588913 /nfs/dbraw/zinc/58/89/13/648588913.db2.gz BECSNAWFWNYQTE-ZYHUDNBSSA-N 1 0 378.336 2.121 20 0 GEADRO CC(C)C[C@H](C[NH3+])N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423258151 648589011 /nfs/dbraw/zinc/58/90/11/648589011.db2.gz BECSNAWFWNYQTE-CMPLNLGQSA-N 1 0 378.336 2.121 20 0 GEADRO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423329193 648589426 /nfs/dbraw/zinc/58/94/26/648589426.db2.gz FDGVLDSSFZJQAW-IAQYHMDHSA-N 1 0 390.347 2.137 20 0 GEADRO C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423329195 648589620 /nfs/dbraw/zinc/58/96/20/648589620.db2.gz FDGVLDSSFZJQAW-XHDPSFHLSA-N 1 0 390.347 2.137 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423451908 648591262 /nfs/dbraw/zinc/59/12/62/648591262.db2.gz HBIKYIUOCAXFKE-WFASDCNBSA-N 1 0 396.329 2.159 20 0 GEADRO C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000423459121 648591306 /nfs/dbraw/zinc/59/13/06/648591306.db2.gz HREUACBDUDSASF-VXGBXAGGSA-N 1 0 388.295 2.169 20 0 GEADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)C1 ZINC000423491749 648593128 /nfs/dbraw/zinc/59/31/28/648593128.db2.gz ZSZIRMJFHAJUML-LBPRGKRZSA-N 1 0 384.307 2.466 20 0 GEADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423503171 648593728 /nfs/dbraw/zinc/59/37/28/648593728.db2.gz FMCNFHYFIZCGDI-OAHLLOKOSA-N 1 0 396.329 2.383 20 0 GEADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)C1 ZINC000423519837 648594056 /nfs/dbraw/zinc/59/40/56/648594056.db2.gz JMZAMRJXPNAIAU-IAQYHMDHSA-N 1 0 398.276 2.059 20 0 GEADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000423554348 648595040 /nfs/dbraw/zinc/59/50/40/648595040.db2.gz FFSJGKVWLHNHEU-UONOGXRCSA-N 1 0 396.329 2.427 20 0 GEADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)CC1 ZINC000423553771 648595058 /nfs/dbraw/zinc/59/50/58/648595058.db2.gz DQVXTCSUKATDJF-ZDUSSCGKSA-N 1 0 396.329 2.427 20 0 GEADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)c2ccccc2Br)C1 ZINC000423560189 648595519 /nfs/dbraw/zinc/59/55/19/648595519.db2.gz KXQMGHGTZGVPBD-CHWSQXEVSA-N 1 0 382.302 2.179 20 0 GEADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423572353 648595983 /nfs/dbraw/zinc/59/59/83/648595983.db2.gz VBRKDAHYWVLUDD-UHFFFAOYSA-N 1 0 393.285 2.015 20 0 GEADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423585509 648596578 /nfs/dbraw/zinc/59/65/78/648596578.db2.gz AAWNZVKKXQLFEY-GASCZTMLSA-N 1 0 394.313 2.151 20 0 GEADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423578436 648596683 /nfs/dbraw/zinc/59/66/83/648596683.db2.gz KZSWZQYYSATPIV-KBPBESRZSA-N 1 0 394.313 2.062 20 0 GEADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000423627747 648597692 /nfs/dbraw/zinc/59/76/92/648597692.db2.gz VAJGZHJHHJWHNO-ZBFHGGJFSA-N 1 0 394.313 2.105 20 0 GEADRO CCCN(C(=O)C(=O)N(C)CCc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000423668808 648598963 /nfs/dbraw/zinc/59/89/63/648598963.db2.gz XAIKLCYHRYRSKE-INIZCTEOSA-N 1 0 396.329 2.051 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423681631 648599365 /nfs/dbraw/zinc/59/93/65/648599365.db2.gz GCXWJXCTXSUTAM-XJKSGUPXSA-N 1 0 396.329 2.178 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000423675898 648599398 /nfs/dbraw/zinc/59/93/98/648599398.db2.gz ISHBLTPIXZCNGM-WFASDCNBSA-N 1 0 382.302 2.136 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423714905 648600389 /nfs/dbraw/zinc/60/03/89/648600389.db2.gz YIXRCDCGANCWSX-OAHLLOKOSA-N 1 0 396.329 2.414 20 0 GEADRO O=C(c1ncc(Br)cc1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000423721323 648600754 /nfs/dbraw/zinc/60/07/54/648600754.db2.gz FAJAHRCKOUUPMQ-GZMMTYOYSA-N 1 0 389.091 2.431 20 0 GEADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423743026 648601405 /nfs/dbraw/zinc/60/14/05/648601405.db2.gz LNRJJPBWAZXVMB-MRXNPFEDSA-N 1 0 396.329 2.051 20 0 GEADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000423753006 648601824 /nfs/dbraw/zinc/60/18/24/648601824.db2.gz XSUMAOOPTNQNGG-LBPRGKRZSA-N 1 0 388.331 2.070 20 0 GEADRO CN(C)Cc1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cc1Br ZINC000423806367 648601922 /nfs/dbraw/zinc/60/19/22/648601922.db2.gz IDFWTUKUKHSQKU-UHFFFAOYSA-N 1 0 395.305 2.093 20 0 GEADRO CC(C)[C@H](C(=O)NCCOc1ccc(I)cc1)[C@@H](C)[NH3+] ZINC000423846563 648602502 /nfs/dbraw/zinc/60/25/02/648602502.db2.gz LNXJAHYOQXXVLX-RISCZKNCSA-N 1 0 390.265 2.406 20 0 GEADRO [NH3+]CCCCn1cc(C(=O)NCCOCc2ccc(Cl)cc2Cl)nn1 ZINC000423840359 648602576 /nfs/dbraw/zinc/60/25/76/648602576.db2.gz IPLGGQVDVPWJIA-UHFFFAOYSA-N 1 0 386.283 2.270 20 0 GEADRO [NH3+]CCCn1cc(C(=O)N2CCC(c3ccccc3Br)CC2)nn1 ZINC000423854546 648602840 /nfs/dbraw/zinc/60/28/40/648602840.db2.gz WCKGIKCYFOZSBO-UHFFFAOYSA-N 1 0 392.301 2.409 20 0 GEADRO [NH3+]CCCn1cc(C(=O)NCCc2cc(Cl)ccc2Br)nn1 ZINC000423902330 648602975 /nfs/dbraw/zinc/60/29/75/648602975.db2.gz LTDSUSPSKIETDC-UHFFFAOYSA-N 1 0 386.681 2.015 20 0 GEADRO CN(C(=O)c1cc(F)c(F)cc1I)[C@H](C[NH3+])C1CC1 ZINC000423945217 648604118 /nfs/dbraw/zinc/60/41/18/648604118.db2.gz ICAORBDSOMYKRF-GFCCVEGCSA-N 1 0 380.176 2.379 20 0 GEADRO CN(C(=O)c1cc(F)c(F)cc1I)[C@@H](C[NH3+])C1CC1 ZINC000423945218 648604176 /nfs/dbraw/zinc/60/41/76/648604176.db2.gz ICAORBDSOMYKRF-LBPRGKRZSA-N 1 0 380.176 2.379 20 0 GEADRO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000423945704 648604185 /nfs/dbraw/zinc/60/41/85/648604185.db2.gz BFBCKVQXKJWUKR-FZMZJTMJSA-N 1 0 382.302 2.292 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000423951708 648604683 /nfs/dbraw/zinc/60/46/83/648604683.db2.gz PCAYHXXCFGKYHK-GFCCVEGCSA-N 1 0 396.340 2.151 20 0 GEADRO COc1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c(I)c1 ZINC000423948350 648604704 /nfs/dbraw/zinc/60/47/04/648604704.db2.gz FYEVRPPNBAPZDJ-LBPRGKRZSA-N 1 0 376.238 2.403 20 0 GEADRO O=C(Cc1ccc(F)c(Br)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423952114 648605024 /nfs/dbraw/zinc/60/50/24/648605024.db2.gz PJUAFWOPMQGOOM-UHFFFAOYSA-N 1 0 398.320 2.463 20 0 GEADRO [NH3+]C[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C1CCCC1 ZINC000423961992 648605748 /nfs/dbraw/zinc/60/57/48/648605748.db2.gz OONJFOOISLJGLS-AWEZNQCLSA-N 1 0 383.286 2.397 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)COc1cccc(I)c1 ZINC000423976081 648606436 /nfs/dbraw/zinc/60/64/36/648606436.db2.gz FROZGPVQJFBXEG-GFCCVEGCSA-N 1 0 376.238 2.160 20 0 GEADRO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(=O)c1ccc(Br)o1 ZINC000423966149 648606457 /nfs/dbraw/zinc/60/64/57/648606457.db2.gz GFYJRUJGHAGFLU-QWHCGFSZSA-N 1 0 398.301 2.105 20 0 GEADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C[C@@]1(C)C[NH3+] ZINC000423983380 648606672 /nfs/dbraw/zinc/60/66/72/648606672.db2.gz MMHYNOFEAWSAEE-SNUQEOBHSA-N 1 0 394.313 2.245 20 0 GEADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423982160 648606738 /nfs/dbraw/zinc/60/67/38/648606738.db2.gz ZHUUURDOTJYYIQ-ZDUSSCGKSA-N 1 0 391.331 2.264 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(COc2cccc(Br)c2)o1 ZINC000423992541 648607397 /nfs/dbraw/zinc/60/73/97/648607397.db2.gz OSALQIKABXXUDQ-OAHLLOKOSA-N 1 0 395.253 2.339 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000423994874 648607476 /nfs/dbraw/zinc/60/74/76/648607476.db2.gz ITVUEXDWEDFBDA-SECBINFHSA-N 1 0 383.164 2.066 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)Cc3cc(F)ccc3Br)C2)nn1 ZINC000423994264 648607519 /nfs/dbraw/zinc/60/75/19/648607519.db2.gz BZAGHTQXVNZGQG-AWEZNQCLSA-N 1 0 396.264 2.045 20 0 GEADRO C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C[C@@H]1C[NH3+] ZINC000423998783 648608007 /nfs/dbraw/zinc/60/80/07/648608007.db2.gz AUBFJOCEHDZNHT-RDBSUJKOSA-N 1 0 394.313 2.245 20 0 GEADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)COc3c(Cl)cccc3Cl)C2)nn1 ZINC000424007173 648609078 /nfs/dbraw/zinc/60/90/78/648609078.db2.gz VHEMHNSEKPSDLU-LBPRGKRZSA-N 1 0 384.267 2.286 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424014284 648610255 /nfs/dbraw/zinc/61/02/55/648610255.db2.gz LJGVGXJCPYOFNO-GARJFASQSA-N 1 0 388.331 2.072 20 0 GEADRO O=C(NCc1cc(Cl)cc(I)c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000424212990 648619161 /nfs/dbraw/zinc/61/91/61/648619161.db2.gz RRBNVXVBZHVZJC-RNCFNFMXSA-N 1 0 376.625 2.313 20 0 GEADRO C[NH+](C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)CCCCF)c1 ZINC000424215759 648619248 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HAFZZMSPQKRVPU-UHFFFAOYSA-N 1 0 384.727 2.025 20 0 GEADRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000428594026 648740012 /nfs/dbraw/zinc/74/00/12/648740012.db2.gz CCTHAPQRTNHFKU-WFASDCNBSA-N 1 0 385.302 2.482 20 0 GEADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000429132491 648745924 /nfs/dbraw/zinc/74/59/24/648745924.db2.gz WWNBFDYRGSPKTQ-HUBLWGQQSA-N 1 0 382.302 2.153 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2nnc(SC)s2)[C@@H](C)C1 ZINC000429154697 648747092 /nfs/dbraw/zinc/74/70/92/648747092.db2.gz HKFNSSLBJFEQNB-STQMWFEESA-N 1 0 387.575 2.196 20 0 GEADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429271229 648748607 /nfs/dbraw/zinc/74/86/07/648748607.db2.gz ZWZBALKDNODGEQ-BXUZGUMPSA-N 1 0 383.290 2.204 20 0 GEADRO CC(C)[C@](C)(C[NH3+])NCC(=O)Nc1ccc(I)cc1 ZINC000430550477 648763401 /nfs/dbraw/zinc/76/34/01/648763401.db2.gz GKIIMADGGCFJKG-AWEZNQCLSA-N 1 0 375.254 2.193 20 0 GEADRO COCC[C@]1(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[NH2+]C1 ZINC000430736224 648766804 /nfs/dbraw/zinc/76/68/04/648766804.db2.gz SHEYJDRWIZBNST-RDTXWAMCSA-N 1 0 396.329 2.160 20 0 GEADRO COCC[C@]1(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000430899137 648769336 /nfs/dbraw/zinc/76/93/36/648769336.db2.gz YYOKVOHKIKHMDW-CRAIPNDOSA-N 1 0 396.329 2.160 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430954413 648771115 /nfs/dbraw/zinc/77/11/15/648771115.db2.gz JLJMZRFSOGTLHC-TUAOUCFPSA-N 1 0 387.265 2.300 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2nc(C)c(C)s2)[C@@H](C)C1 ZINC000435208027 648782881 /nfs/dbraw/zinc/78/28/81/648782881.db2.gz OZOUGDMCFFPPPJ-WFASDCNBSA-N 1 0 375.560 2.175 20 0 GEADRO CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000435666549 648785043 /nfs/dbraw/zinc/78/50/43/648785043.db2.gz ZKWFZSHBHWBXHD-CQSZACIVSA-N 1 0 380.286 2.475 20 0 GEADRO CN(C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]CC1 ZINC000435746540 648786815 /nfs/dbraw/zinc/78/68/15/648786815.db2.gz 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C[NH+](C)Cc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000548884497 651088571 /nfs/dbraw/zinc/08/85/71/651088571.db2.gz MQVZVZLUZDOCPO-UHFFFAOYSA-N 1 0 387.914 2.380 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000548918701 651089330 /nfs/dbraw/zinc/08/93/30/651089330.db2.gz WRKKTBAFHDIDBW-UHFFFAOYSA-N 1 0 385.302 2.124 20 0 GEADRO CSc1cccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000548993842 651091253 /nfs/dbraw/zinc/09/12/53/651091253.db2.gz RVDIAVVPDSZOBH-ROUUACIJSA-N 1 0 384.567 2.455 20 0 GEADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000549714908 651099233 /nfs/dbraw/zinc/09/92/33/651099233.db2.gz OXPNVVGPLMSJIY-VIFPVBQESA-N 1 0 386.677 2.394 20 0 GEADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000549903135 651102485 /nfs/dbraw/zinc/10/24/85/651102485.db2.gz FIQCQQUGQFWDQF-SNVBAGLBSA-N 1 0 376.309 2.022 20 0 GEADRO C[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000549965030 651104249 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C[C@H](CCNc1ncc(Br)cc1S(N)(=O)=O)[NH+]1CCCCC1 ZINC000554739798 651211949 /nfs/dbraw/zinc/21/19/49/651211949.db2.gz ZFQMNVVXYZLZRB-LLVKDONJSA-N 1 0 391.335 2.168 20 0 GEADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000554848468 651214264 /nfs/dbraw/zinc/21/42/64/651214264.db2.gz LGBQVFUXSHKYPV-HFBAOOFYSA-N 1 0 376.881 2.180 20 0 GEADRO CC(=O)NCC[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)C1CCSCC1 ZINC000555075209 651217546 /nfs/dbraw/zinc/21/75/46/651217546.db2.gz QVEKDYYJMCJBMB-UHFFFAOYSA-N 1 0 383.480 2.119 20 0 GEADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000555173144 651219393 /nfs/dbraw/zinc/21/93/93/651219393.db2.gz AQJWLBJDYRPTES-HUUCEWRRSA-N 1 0 387.571 2.136 20 0 GEADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000555309760 651222589 /nfs/dbraw/zinc/22/25/89/651222589.db2.gz VTOZHBJBPLADFD-SMDDNHRTSA-N 1 0 380.286 2.285 20 0 GEADRO C[N@@H+]1CCN(C(=O)COc2ccc(I)cc2)CC1(C)C ZINC000555532679 651227702 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Cn1cc(Br)c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000560399411 651308623 /nfs/dbraw/zinc/30/86/23/651308623.db2.gz SFHNUBYEHHYQTN-ZBFHGGJFSA-N 1 0 392.301 2.427 20 0 GEADRO C[NH2+][C@@H](C)c1cn([C@@H](C)C(=O)Nc2cccc(I)c2)nn1 ZINC000603202598 651472008 /nfs/dbraw/zinc/47/20/08/651472008.db2.gz OXWRJYSISXSTBB-UWVGGRQHSA-N 1 0 399.236 2.363 20 0 GEADRO O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000560983948 651472968 /nfs/dbraw/zinc/47/29/68/651472968.db2.gz BWAFRENJRMVAHF-WDNDVIMCSA-N 1 0 390.241 2.371 20 0 GEADRO CC(C)(CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1ccccc1Br ZINC000642651244 651473360 /nfs/dbraw/zinc/47/33/60/651473360.db2.gz QFNDKRLCWDZZRF-UHFFFAOYSA-N 1 0 396.329 2.183 20 0 GEADRO COC(=O)c1ccc(Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)c(Br)c1 ZINC000603239645 651473365 /nfs/dbraw/zinc/47/33/65/651473365.db2.gz INVHQTLJZDKURN-GJZGRUSLSA-N 1 0 395.257 2.054 20 0 GEADRO [NH3+]CCSCc1cn(C[C@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000603261642 651474913 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GEADRO Brc1ccc(-c2noc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)n2)s1 ZINC000643072482 651477513 /nfs/dbraw/zinc/47/75/13/651477513.db2.gz YXKKYWIGEGKPSY-LLVKDONJSA-N 1 0 398.330 2.040 20 0 GEADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000643095971 651477735 /nfs/dbraw/zinc/47/77/35/651477735.db2.gz XVEBZAQPVPQZGC-HOTGVXAUSA-N 1 0 376.881 2.386 20 0 GEADRO CCOC[C@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000561315661 651478435 /nfs/dbraw/zinc/47/84/35/651478435.db2.gz RCJGGYYMJDHYHT-LBPRGKRZSA-N 1 0 379.320 2.050 20 0 GEADRO CC[NH+]1CCC(CNC(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000561484678 651478951 /nfs/dbraw/zinc/47/89/51/651478951.db2.gz XEWVFAMHBKNEBO-UHFFFAOYSA-N 1 0 396.289 2.144 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)C1 ZINC000643195557 651478959 /nfs/dbraw/zinc/47/89/59/651478959.db2.gz RSOTXUKKORVYRU-LBPRGKRZSA-N 1 0 397.488 2.167 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1Cc2cccc(Cl)c2C1 ZINC000561555681 651480064 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COc1cc(Br)c(S(=O)(=O)NCC2CC[NH2+]CC2)cc1Cl ZINC000566215339 651603615 /nfs/dbraw/zinc/60/36/15/651603615.db2.gz UHULCQAPNWYLSE-UHFFFAOYSA-N 1 0 397.722 2.389 20 0 GEADRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000566224268 651604767 /nfs/dbraw/zinc/60/47/67/651604767.db2.gz IJOAPQFNHWYBEJ-ZETCQYMHSA-N 1 0 391.209 2.363 20 0 GEADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1Cl ZINC000566228434 651604773 /nfs/dbraw/zinc/60/47/73/651604773.db2.gz SHYANIRGODEAEK-HZMBPMFUSA-N 1 0 397.324 2.295 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000566236999 651605713 /nfs/dbraw/zinc/60/57/13/651605713.db2.gz LHTFXCBAIVFULG-STQMWFEESA-N 1 0 396.329 2.397 20 0 GEADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000566232020 651605830 /nfs/dbraw/zinc/60/58/30/651605830.db2.gz XPGOAFDRIMIABE-SLEUVZQESA-N 1 0 380.312 2.481 20 0 GEADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(F)c3Br)CC2)C1 ZINC000645461782 651606938 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375.778 2.460 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(Br)c3Cl)[C@H]2C1 ZINC000645626573 651630638 /nfs/dbraw/zinc/63/06/38/651630638.db2.gz RUUQHGIETGWNEJ-SKDRFNHKSA-N 1 0 386.677 2.204 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2scc(C)c2I)[C@@H](C[NH3+])C1 ZINC000567667193 651633058 /nfs/dbraw/zinc/63/30/58/651633058.db2.gz LPOAMYRDLMBWLB-NXEZZACHSA-N 1 0 394.278 2.239 20 0 GEADRO CO[C@@H]1CCN(C(=O)c2scc(C)c2I)[C@H](C[NH3+])C1 ZINC000567667195 651633172 /nfs/dbraw/zinc/63/31/72/651633172.db2.gz LPOAMYRDLMBWLB-VHSXEESVSA-N 1 0 394.278 2.239 20 0 GEADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)O1 ZINC000567685542 651634771 /nfs/dbraw/zinc/63/47/71/651634771.db2.gz CMOROILQUXNFNH-GJZGRUSLSA-N 1 0 398.301 2.003 20 0 GEADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000567693915 651635503 /nfs/dbraw/zinc/63/55/03/651635503.db2.gz BHJHWWMLSNQODG-KGLIPLIRSA-N 1 0 391.580 2.128 20 0 GEADRO C[C@H]1C[C@H](NC(=O)c2ncc(Br)cc2Br)CC[NH2+]1 ZINC000567837668 651637186 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[NH3+]CCC1CCN(CC(=O)Nc2ccc(I)cc2)CC1 ZINC000568057287 651648403 /nfs/dbraw/zinc/64/84/03/651648403.db2.gz ZUJCKRDSJGXDMO-UHFFFAOYSA-N 1 0 387.265 2.291 20 0 GEADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000568209832 651656275 /nfs/dbraw/zinc/65/62/75/651656275.db2.gz GQXVWPWIQHIXJT-IUODEOHRSA-N 1 0 380.286 2.012 20 0 GEADRO O=C1[C@H]([NH2+]C[C@@H](O)Cn2cccn2)CCCN1c1ccc(Cl)cc1Cl ZINC000568255744 651659032 /nfs/dbraw/zinc/65/90/32/651659032.db2.gz ZCHFLFRGSBLSLL-UKRRQHHQSA-N 1 0 383.279 2.336 20 0 GEADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000568279444 651661476 /nfs/dbraw/zinc/66/14/76/651661476.db2.gz CVMRKKGGYKQUAI-QMTHXVAHSA-N 1 0 377.279 2.199 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000568394609 651665909 /nfs/dbraw/zinc/66/59/09/651665909.db2.gz QMZDQICDEQIAQT-QWRGUYRKSA-N 1 0 387.552 2.144 20 0 GEADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000568498319 651669251 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C[C@]([NH3+])(C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccc(Br)cc1 ZINC000646216389 651681915 /nfs/dbraw/zinc/68/19/15/651681915.db2.gz ZGDQVOIVXWOPKE-ZMSDIMECSA-N 1 0 383.286 2.029 20 0 GEADRO COc1c(Br)c(C)sc1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000568821147 651682134 /nfs/dbraw/zinc/68/21/34/651682134.db2.gz ZYZZHMPICKJUFJ-UHFFFAOYSA-N 1 0 392.363 2.441 20 0 GEADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646221198 651682887 /nfs/dbraw/zinc/68/28/87/651682887.db2.gz AZOKQSVNSAIPNA-CQSZACIVSA-N 1 0 394.313 2.354 20 0 GEADRO C[C@]([NH3+])(C(=O)N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000646264985 651684422 /nfs/dbraw/zinc/68/44/22/651684422.db2.gz IEOQDQZIVNCMKS-CRAIPNDOSA-N 1 0 389.297 2.413 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000568883572 651686702 /nfs/dbraw/zinc/68/67/02/651686702.db2.gz MSYNTXSFULFRAK-UHFFFAOYSA-N 1 0 395.294 2.359 20 0 GEADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000646317357 651687811 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C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000647830914 651761890 /nfs/dbraw/zinc/76/18/90/651761890.db2.gz CLHKCLGHZWIXSC-NFAWXSAZSA-N 1 0 394.313 2.353 20 0 GEADRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Br)c1 ZINC000570365650 651763171 /nfs/dbraw/zinc/76/31/71/651763171.db2.gz NUJAKRXAOSVLAZ-HUUCEWRRSA-N 1 0 391.331 2.408 20 0 GEADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000612679939 651765241 /nfs/dbraw/zinc/76/52/41/651765241.db2.gz UBLMVDKNWYKIEH-HNNXBMFYSA-N 1 0 399.329 2.305 20 0 GEADRO CC(C)[C@H]([NH2+]CC(=O)NCCOc1cccc(Cl)c1)[C@H](O)C(F)(F)F ZINC000647931568 651766531 /nfs/dbraw/zinc/76/65/31/651766531.db2.gz LGOLGTPNBSMUIJ-GJZGRUSLSA-N 1 0 382.810 2.372 20 0 GEADRO COCC1([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)CCOCC1 ZINC000647952188 651767168 /nfs/dbraw/zinc/76/71/68/651767168.db2.gz QKCAWKRCMDDBLP-UHFFFAOYSA-N 1 0 391.331 2.254 20 0 GEADRO CC[C@H]1CN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647937921 651767252 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CC[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)[C@H](C)C1 ZINC000614709713 651833993 /nfs/dbraw/zinc/83/39/93/651833993.db2.gz HXJMKKJYGBEDFD-WQVCFCJDSA-N 1 0 382.302 2.474 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)Nc2cnc3c(Br)cccn23)n1 ZINC000614861667 651842420 /nfs/dbraw/zinc/84/24/20/651842420.db2.gz SFZHXCQDWFRZAP-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO Cn1ncc(Cl)c1S(=O)(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000571618431 651843249 /nfs/dbraw/zinc/84/32/49/651843249.db2.gz DTJKMHCQEFLFAF-KRWDZBQOSA-N 1 0 382.917 2.407 20 0 GEADRO O[C@H](C[NH2+]Cc1ccc(I)c(Cl)c1)Cn1cccn1 ZINC000571636914 651844831 /nfs/dbraw/zinc/84/48/31/651844831.db2.gz UYPRZXVFSZKZRV-LLVKDONJSA-N 1 0 391.640 2.292 20 0 GEADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000571746741 651850767 /nfs/dbraw/zinc/85/07/67/651850767.db2.gz VUTMHGQZQVBLNH-HIFRSBDPSA-N 1 0 382.302 2.360 20 0 GEADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1OC ZINC000571761284 651851989 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C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Br)cc4c3OCCO4)C2)C1 ZINC000615203413 651855719 /nfs/dbraw/zinc/85/57/19/651855719.db2.gz LYHSHRUVALVVSC-QGZVFWFLSA-N 1 0 381.270 2.388 20 0 GEADRO CN(C)c1cc(Br)cc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000615267358 651858720 /nfs/dbraw/zinc/85/87/20/651858720.db2.gz QTTBCVUYIXMWNG-SJORKVTESA-N 1 0 396.329 2.450 20 0 GEADRO O[C@@H](C[NH2+]CCCO[C@@H]1CCOC1)COc1cc(F)cc(Br)c1 ZINC000571875677 651859317 /nfs/dbraw/zinc/85/93/17/651859317.db2.gz VLBOQYIVNZWIRU-LSDHHAIUSA-N 1 0 392.265 2.113 20 0 GEADRO CN1CC[NH+](CC2CN(C(=O)CCc3ccc(Br)cc3F)C2)CC1 ZINC000615275205 651859816 /nfs/dbraw/zinc/85/98/16/651859816.db2.gz WUFGXQADECNYTO-UHFFFAOYSA-N 1 0 398.320 2.227 20 0 GEADRO COc1c(Br)ccc(C)c1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000615280259 651860477 /nfs/dbraw/zinc/86/04/77/651860477.db2.gz CHHWFFJRPLWPBA-UHFFFAOYSA-N 1 0 396.329 2.086 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000615304383 651861021 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C[NH2+]CCS[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000573561590 651964430 /nfs/dbraw/zinc/96/44/30/651964430.db2.gz PJZQRYFGWAQQDG-CQSZACIVSA-N 1 0 385.555 2.141 20 0 GEADRO CCCNC(=O)CSc1nn(CN2CC[C@H]([NH+]3CC=CC3)C2)c(=S)s1 ZINC000742162040 651965880 /nfs/dbraw/zinc/96/58/80/651965880.db2.gz BURIRKXEAQQUQF-ZDUSSCGKSA-N 1 0 399.611 2.196 20 0 GEADRO Cc1c(Br)cccc1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000654642570 651966529 /nfs/dbraw/zinc/96/65/29/651966529.db2.gz NUOGAZKQHBYIEB-IAGOWNOFSA-N 1 0 396.329 2.498 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000654661880 651967380 /nfs/dbraw/zinc/96/73/80/651967380.db2.gz UJSYRQIUUUWQPI-BJHJDKERSA-N 1 0 390.347 2.355 20 0 GEADRO C[C@H](CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[NH+](C)C ZINC000617751553 651970366 /nfs/dbraw/zinc/97/03/66/651970366.db2.gz ZBOBYLPWJPEZQV-CHWSQXEVSA-N 1 0 382.302 2.258 20 0 GEADRO C[C@H](CCNC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[NH+](C)C ZINC000617754033 651971122 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CN(C1CCOCC1)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000742305913 651977618 /nfs/dbraw/zinc/97/76/18/651977618.db2.gz DUXVMTULRTTYBZ-PBHICJAKSA-N 1 0 387.571 2.076 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742310569 651978844 /nfs/dbraw/zinc/97/88/44/651978844.db2.gz YOLQIVKUYKYPLA-KOLCDFICSA-N 1 0 395.294 2.358 20 0 GEADRO C[N@H+](Cc1ccc2nc(NC(=O)[C@H]3CCS(=O)(=O)C3)sc2c1)C1CC1 ZINC000617867693 651979267 /nfs/dbraw/zinc/97/92/67/651979267.db2.gz YEEWXOIZNDMXNW-LBPRGKRZSA-N 1 0 379.507 2.264 20 0 GEADRO CO[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1Br ZINC000655121847 651979581 /nfs/dbraw/zinc/97/95/81/651979581.db2.gz QUMZQIBXCFRBRQ-CJNGLKHVSA-N 1 0 385.302 2.100 20 0 GEADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000655131817 651980126 /nfs/dbraw/zinc/98/01/26/651980126.db2.gz QXJTWHUUXJNBKJ-JKSUJKDBSA-N 1 0 398.345 2.302 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000655131740 651980149 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393.281 2.208 20 0 GEADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000576675652 652136522 /nfs/dbraw/zinc/13/65/22/652136522.db2.gz PJYXOVILSBKGIY-LBPRGKRZSA-N 1 0 385.306 2.328 20 0 GEADRO COc1cc(CN2CCC(C[NH+]3CCOCC3)CC2)c(Br)cn1 ZINC000621247965 652137661 /nfs/dbraw/zinc/13/76/61/652137661.db2.gz PWUBGLROTBFHII-UHFFFAOYSA-N 1 0 384.318 2.397 20 0 GEADRO Cc1cc(C(=O)NCCN2CC[NH2+]CC2)nn1-c1ccc(Cl)cc1Cl ZINC000576702208 652138661 /nfs/dbraw/zinc/13/86/61/652138661.db2.gz OMIYMFGVPVSMCF-UHFFFAOYSA-N 1 0 382.295 2.123 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cncc(Br)c1 ZINC000657180410 652144416 /nfs/dbraw/zinc/14/44/16/652144416.db2.gz HRXPBMQMYSIKDI-LBPRGKRZSA-N 1 0 376.320 2.243 20 0 GEADRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ncccc1Br ZINC000657180585 652144725 /nfs/dbraw/zinc/14/47/25/652144725.db2.gz ZDVPCBBPUQGLRS-LBPRGKRZSA-N 1 0 376.320 2.243 20 0 GEADRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncnc3c2c(Br)nn3C)C1 ZINC000747227786 652149790 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O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H](O)COc1ccccc1Br ZINC000621639546 652166706 /nfs/dbraw/zinc/16/67/06/652166706.db2.gz YIEVIOLFNSPNBJ-UONOGXRCSA-N 1 0 385.302 2.085 20 0 GEADRO O=C(CC(F)(F)F)N1CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000577172510 652167435 /nfs/dbraw/zinc/16/74/35/652167435.db2.gz XZOFAQLYBZZJMC-ZDUSSCGKSA-N 1 0 380.432 2.159 20 0 GEADRO COCC[NH2+]CCNC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621848199 652168456 /nfs/dbraw/zinc/16/84/56/652168456.db2.gz TXOYPTTWDIXKCE-UHFFFAOYSA-N 1 0 380.233 2.076 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F)[NH+]1CCCC1 ZINC000657520592 652168886 /nfs/dbraw/zinc/16/88/86/652168886.db2.gz FUXHDXIUUWFZHX-SECBINFHSA-N 1 0 390.228 2.266 20 0 GEADRO C[NH+](C)CCn1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)n1 ZINC000577188869 652169071 /nfs/dbraw/zinc/16/90/71/652169071.db2.gz LWKHDNUOJQXAKY-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000657520603 652169127 /nfs/dbraw/zinc/16/91/27/652169127.db2.gz GCCAZULLFVSPOM-JTQLQIEISA-N 1 0 386.265 2.436 20 0 GEADRO O=C(CC[NH2+][C@H](CO)Cc1ccncc1)Nc1ccc(Br)cc1 ZINC000577221255 652171024 /nfs/dbraw/zinc/17/10/24/652171024.db2.gz KAABFYZASNZWGN-INIZCTEOSA-N 1 0 378.270 2.366 20 0 GEADRO CS(=O)(=O)CC1(CC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000657547634 652171788 /nfs/dbraw/zinc/17/17/88/652171788.db2.gz HZWWOPBTXQLCQJ-UHFFFAOYSA-N 1 0 379.931 2.048 20 0 GEADRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1OC ZINC000657564424 652174005 /nfs/dbraw/zinc/17/40/05/652174005.db2.gz VBLHGHOZQAMGKU-UHFFFAOYSA-N 1 0 394.269 2.381 20 0 GEADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)Cc1cc(F)ccc1Br)C2 ZINC000622015258 652175963 /nfs/dbraw/zinc/17/59/63/652175963.db2.gz SVEWANZHYKXTRR-SMDDNHRTSA-N 1 0 377.279 2.231 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC12CCOCC2 ZINC000577280031 652176398 /nfs/dbraw/zinc/17/63/98/652176398.db2.gz YPWYBZVSBOAZDJ-GFCCVEGCSA-N 1 0 378.416 2.081 20 0 GEADRO Cc1cccc(Br)c1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000577289474 652177143 /nfs/dbraw/zinc/17/71/43/652177143.db2.gz YGUXDANNQXOCOC-HNNXBMFYSA-N 1 0 394.313 2.136 20 0 GEADRO Cn1ncc(Br)c1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597254 652177505 /nfs/dbraw/zinc/17/75/05/652177505.db2.gz RHISBAUNILMLKS-HNNXBMFYSA-N 1 0 379.302 2.039 20 0 GEADRO OCCO[C@@]1(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CCOC1 ZINC000657598010 652178323 /nfs/dbraw/zinc/17/83/23/652178323.db2.gz GXADUJAWWAWFHC-OAHLLOKOSA-N 1 0 396.228 2.308 20 0 GEADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000657601511 652178405 /nfs/dbraw/zinc/17/84/05/652178405.db2.gz QGXJFNJJARPWDV-OAHLLOKOSA-N 1 0 396.329 2.397 20 0 GEADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000577366197 652181907 /nfs/dbraw/zinc/18/19/07/652181907.db2.gz OCUNIKASUHXVMP-FVQBIDKESA-N 1 0 399.329 2.425 20 0 GEADRO O=C(CC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)Nc1cccc(Br)c1 ZINC000577365874 652181978 /nfs/dbraw/zinc/18/19/78/652181978.db2.gz ROHGHNPIMOEFSU-LBPRGKRZSA-N 1 0 389.315 2.192 20 0 GEADRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCn1cc(Br)cn1 ZINC000577398006 652185040 /nfs/dbraw/zinc/18/50/40/652185040.db2.gz BEKSVZQZFMFLRX-GFCCVEGCSA-N 1 0 391.269 2.310 20 0 GEADRO CC1(C)CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[NH2+]1 ZINC000747921166 652185525 /nfs/dbraw/zinc/18/55/25/652185525.db2.gz LAVMIDACKOOGHA-UHFFFAOYSA-N 1 0 378.523 2.139 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000657693441 652192405 /nfs/dbraw/zinc/19/24/05/652192405.db2.gz MLALZHFYWFUJMZ-JTQLQIEISA-N 1 0 386.265 2.293 20 0 GEADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000657693442 652192520 /nfs/dbraw/zinc/19/25/20/652192520.db2.gz MLALZHFYWFUJMZ-SNVBAGLBSA-N 1 0 386.265 2.293 20 0 GEADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(SC)ccc2Cl)CC1 ZINC000657721671 652196153 /nfs/dbraw/zinc/19/61/53/652196153.db2.gz PPXBODVIOPMLGY-UHFFFAOYSA-N 1 0 385.917 2.227 20 0 GEADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C1 ZINC000577592602 652199207 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[NH3+]C1CCC(OCC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000577727043 652211292 /nfs/dbraw/zinc/21/12/92/652211292.db2.gz UMCOAONAWDIZNI-ISXOHVOVSA-N 1 0 396.329 2.431 20 0 GEADRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000577747381 652212379 /nfs/dbraw/zinc/21/23/79/652212379.db2.gz HIHHUWKIYSIPAH-NSHDSACASA-N 1 0 380.798 2.051 20 0 GEADRO C[S@@](=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000577742475 652212501 /nfs/dbraw/zinc/21/25/01/652212501.db2.gz STKFMNKJPXSGLT-WSVYEEACSA-N 1 0 396.734 2.343 20 0 GEADRO C[C@H](NC(=O)C(=O)Nc1cccc(Br)c1F)C1=CC[N@H+](C)CC1 ZINC000657874797 652212838 /nfs/dbraw/zinc/21/28/38/652212838.db2.gz ASAYQMZMKLZGSU-JTQLQIEISA-N 1 0 384.249 2.293 20 0 GEADRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(Br)c[nH]c2=O)C[C@@H](C)O1 ZINC000623020173 652215837 /nfs/dbraw/zinc/21/58/37/652215837.db2.gz AYVQVFAJDWLXSZ-VXGBXAGGSA-N 1 0 386.290 2.169 20 0 GEADRO O=C(c1nc2ccc(Br)cn2n1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000623055348 652221563 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CO[C@H](C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000658071630 652235111 /nfs/dbraw/zinc/23/51/11/652235111.db2.gz IZRNPUIBAQBCAX-GPCCPHFNSA-N 1 0 397.324 2.343 20 0 GEADRO CC[C@H]([NH2+]CC[C@H](COC)OC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658081239 652235768 /nfs/dbraw/zinc/23/57/68/652235768.db2.gz HHOOCMSIBPCTGL-HIFRSBDPSA-N 1 0 378.922 2.340 20 0 GEADRO Cn1ccnc1[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)C1CC1 ZINC000658092226 652235806 /nfs/dbraw/zinc/23/58/06/652235806.db2.gz KQTOYNUBAOCOMP-AWEZNQCLSA-N 1 0 378.274 2.048 20 0 GEADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1Cc2ccccc2N(C)C1=O ZINC000658106474 652237124 /nfs/dbraw/zinc/23/71/24/652237124.db2.gz LRBFDDBOWLOSLO-WFASDCNBSA-N 1 0 390.281 2.177 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658121726 652238511 /nfs/dbraw/zinc/23/85/11/652238511.db2.gz BZOGOTIZSHZRDZ-NSHDSACASA-N 1 0 398.301 2.385 20 0 GEADRO CN(C)c1c(F)c(F)ccc1C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000623470190 652239381 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O[C@@H]1CCN(CC[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000623758919 652258587 /nfs/dbraw/zinc/25/85/87/652258587.db2.gz SCZBIFLWVVJKMI-CYBMUJFWSA-N 1 0 378.108 2.368 20 0 GEADRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1ncccc1Br ZINC000658379179 652260602 /nfs/dbraw/zinc/26/06/02/652260602.db2.gz HWZFKVKBOJHJGP-UHFFFAOYSA-N 1 0 376.320 2.374 20 0 GEADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000578298119 652260846 /nfs/dbraw/zinc/26/08/46/652260846.db2.gz HBBKAHIUQFLXND-UHFFFAOYSA-N 1 0 385.555 2.137 20 0 GEADRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000623794468 652261550 /nfs/dbraw/zinc/26/15/50/652261550.db2.gz VTTQTKXYFPNDBT-WQLSENKSSA-N 1 0 377.432 2.189 20 0 GEADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000658389585 652263782 /nfs/dbraw/zinc/26/37/82/652263782.db2.gz VSDBFZHAZYNZPL-GFCCVEGCSA-N 1 0 376.906 2.113 20 0 GEADRO O=C(NC[C@H]1C[NH2+]CCO1)NCC1(c2ccccc2Br)CCC1 ZINC000578336201 652263944 /nfs/dbraw/zinc/26/39/44/652263944.db2.gz SMEQVWMDTSXTFY-CYBMUJFWSA-N 1 0 382.302 2.158 20 0 GEADRO COc1cc(Br)c(S(=O)(=O)NCC2([NH3+])CCCC2)cc1OC ZINC000658390676 652264290 /nfs/dbraw/zinc/26/42/90/652264290.db2.gz DZCAMJDZTVYDAY-UHFFFAOYSA-N 1 0 393.303 2.016 20 0 GEADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000658394304 652265315 /nfs/dbraw/zinc/26/53/15/652265315.db2.gz JRPRAZDJYNXGRO-UHFFFAOYSA-N 1 0 379.707 2.355 20 0 GEADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000658410279 652267511 /nfs/dbraw/zinc/26/75/11/652267511.db2.gz IMDVWDFCDLZJSC-ZETCQYMHSA-N 1 0 375.210 2.354 20 0 GEADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000658407763 652267362 /nfs/dbraw/zinc/26/73/62/652267362.db2.gz ZVWBPOTYXQZGCW-UHFFFAOYSA-N 1 0 389.315 2.268 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[NH+](C)C ZINC000658422195 652268096 /nfs/dbraw/zinc/26/80/96/652268096.db2.gz CTYSKUTZQSLLOI-MRVPVSSYSA-N 1 0 378.217 2.122 20 0 GEADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br)[NH+](C)C ZINC000658422720 652268220 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GEADRO Cc1c([C@@H](C)NCC[N@@H+]2CC[C@@H](O)C2)nnn1-c1cccc(Br)c1 ZINC000624227046 652277404 /nfs/dbraw/zinc/27/74/04/652277404.db2.gz FBCLXNRDMGSJNT-MLGOLLRUSA-N 1 0 394.317 2.055 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(Br)cc(OC)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658468259 652277610 /nfs/dbraw/zinc/27/76/10/652277610.db2.gz MWBXLQSXCFPLJK-AWEZNQCLSA-N 1 0 398.301 2.339 20 0 GEADRO C[C@H]1C[C@@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)c2cccc(Br)c21 ZINC000624281113 652278817 /nfs/dbraw/zinc/27/88/17/652278817.db2.gz ZOCXTPHWQQMFFB-IINYFYTJSA-N 1 0 388.331 2.078 20 0 GEADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[NH+](CCCCO)CC1 ZINC000750054901 652280434 /nfs/dbraw/zinc/28/04/34/652280434.db2.gz NXRZRCMYOMJUPU-CQSZACIVSA-N 1 0 384.318 2.166 20 0 GEADRO CN1CCN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000624357124 652283322 /nfs/dbraw/zinc/28/33/22/652283322.db2.gz GURPCWPXHQYDHW-HNNXBMFYSA-N 1 0 377.535 2.101 20 0 GEADRO CC(=O)N1CCc2cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(Cl)cc21 ZINC000624357127 652283386 /nfs/dbraw/zinc/28/33/86/652283386.db2.gz GWPZVNJBRSFLPK-OAHLLOKOSA-N 1 0 387.933 2.243 20 0 GEADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000624370850 652284460 /nfs/dbraw/zinc/28/44/60/652284460.db2.gz YVZNNSJFDRBZSI-QWHCGFSZSA-N 1 0 375.441 2.021 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)CC[C@H]1C(F)(F)F ZINC000624390709 652287041 /nfs/dbraw/zinc/28/70/41/652287041.db2.gz GQGLMSHHIODAKX-GXSJLCMTSA-N 1 0 379.429 2.444 20 0 GEADRO COc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)c1 ZINC000624390637 652287196 /nfs/dbraw/zinc/28/71/96/652287196.db2.gz FJCRARKFNVMGJU-GXTWGEPZSA-N 1 0 380.432 2.460 20 0 GEADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2O1 ZINC000624391191 652287622 /nfs/dbraw/zinc/28/76/22/652287622.db2.gz RHZKJDIMGPOEEU-MPKXVKKWSA-N 1 0 378.416 2.158 20 0 GEADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578727411 652288601 /nfs/dbraw/zinc/28/86/01/652288601.db2.gz IGQGWJXMRIIMAA-KGLIPLIRSA-N 1 0 390.285 2.993 20 0 GEADRO CC(C)(C)c1cc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)no1 ZINC000624392187 652289129 /nfs/dbraw/zinc/28/91/29/652289129.db2.gz LDUPGMRYWDMPHC-JQWIXIFHSA-N 1 0 383.436 2.261 20 0 GEADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000624393503 652289514 /nfs/dbraw/zinc/28/95/14/652289514.db2.gz AJZDBPDKBWJPOM-VHDGCEQUSA-N 1 0 388.917 2.174 20 0 GEADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000624397509 652290557 /nfs/dbraw/zinc/29/05/57/652290557.db2.gz BDIZKWAIDPPRKN-UHFFFAOYSA-N 1 0 390.933 2.375 20 0 GEADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Br)sc1Cl ZINC000624396830 652290606 /nfs/dbraw/zinc/29/06/06/652290606.db2.gz FVYYXHQDGBGTBQ-UHFFFAOYSA-N 1 0 391.740 2.021 20 0 GEADRO C[NH2+]CCOCCNS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000624395635 652290611 /nfs/dbraw/zinc/29/06/11/652290611.db2.gz HKHWPBLLPDQJIO-UHFFFAOYSA-N 1 0 387.299 2.117 20 0 GEADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624403900 652291122 /nfs/dbraw/zinc/29/11/22/652291122.db2.gz BHBDRIMCDSUHMU-BDAKNGLRSA-N 1 0 381.267 2.016 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000624412198 652292346 /nfs/dbraw/zinc/29/23/46/652292346.db2.gz NCNLDBXVDAGWPV-GASCZTMLSA-N 1 0 389.315 2.078 20 0 GEADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(F)c(Br)c1)C2 ZINC000624412186 652292410 /nfs/dbraw/zinc/29/24/10/652292410.db2.gz MCMXNXJMEYJIME-OKILXGFUSA-N 1 0 377.279 2.208 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Br ZINC000624415517 652292889 /nfs/dbraw/zinc/29/28/89/652292889.db2.gz OFTQLGOCKCEASF-OIBJUYFYSA-N 1 0 398.120 2.240 20 0 GEADRO O[C@@H](C[NH2+]CCc1cnccn1)COc1ccc(Cl)cc1Br ZINC000578859565 652299782 /nfs/dbraw/zinc/29/97/82/652299782.db2.gz DJZPHNXVTRRRNW-ZDUSSCGKSA-N 1 0 386.677 2.465 20 0 GEADRO CCC[NH2+][C@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000578863047 652300241 /nfs/dbraw/zinc/30/02/41/652300241.db2.gz LMYQBGJSNJZTRC-GFCCVEGCSA-N 1 0 393.962 2.013 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCn2ccnc2C1)COc1cc(F)cc(Br)c1 ZINC000578880659 652301571 /nfs/dbraw/zinc/30/15/71/652301571.db2.gz KCXDMASRHMYKOK-ZIAGYGMSSA-N 1 0 384.249 2.129 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)cc1Cl ZINC000578910344 652303648 /nfs/dbraw/zinc/30/36/48/652303648.db2.gz NNYRPIIYEPAXOX-UONOGXRCSA-N 1 0 385.917 2.011 20 0 GEADRO CCO[C@H](CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000624846440 652306043 /nfs/dbraw/zinc/30/60/43/652306043.db2.gz IDTHFGKDAXSNKW-MRXNPFEDSA-N 1 0 376.588 2.083 20 0 GEADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000578953649 652305969 /nfs/dbraw/zinc/30/59/69/652305969.db2.gz IZPJFRJUHSFPPI-NWDGAFQWSA-N 1 0 384.299 2.195 20 0 GEADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000578953651 652306259 /nfs/dbraw/zinc/30/62/59/652306259.db2.gz IZPJFRJUHSFPPI-VXGBXAGGSA-N 1 0 384.299 2.195 20 0 GEADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000658781634 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GEADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579208931 652324748 /nfs/dbraw/zinc/32/47/48/652324748.db2.gz FBSIJEVVDQPYAQ-QGZVFWFLSA-N 1 0 398.276 2.437 20 0 GEADRO CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000751125263 652324920 /nfs/dbraw/zinc/32/49/20/652324920.db2.gz GISPVMRJMXMHAZ-QGZVFWFLSA-N 1 0 379.551 2.404 20 0 GEADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000579211861 652325233 /nfs/dbraw/zinc/32/52/33/652325233.db2.gz UOCAHBRVKZNVIS-DGCLKSJQSA-N 1 0 386.290 2.196 20 0 GEADRO C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)c1nc(-c2ccc(Br)cc2)no1 ZINC000579225153 652326825 /nfs/dbraw/zinc/32/68/25/652326825.db2.gz LCSNPYILHNOBIW-ZXLZKYRFSA-N 1 0 377.242 2.428 20 0 GEADRO COc1cc(NC(=O)CC[NH2+][C@H](C)[C@@H](CO)SC)c(OC)cc1Cl ZINC000579239857 652327855 /nfs/dbraw/zinc/32/78/55/652327855.db2.gz QFRBTXPJEYXONM-MEBBXXQBSA-N 1 0 376.906 2.388 20 0 GEADRO C[C@@H](NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@H](C)[NH3+] ZINC000579245354 652328528 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20 0 GEADRO Cc1cc(C)c(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1Br ZINC000659009330 652337348 /nfs/dbraw/zinc/33/73/48/652337348.db2.gz AQPSQDYSYOPVHE-UHFFFAOYSA-N 1 0 380.246 2.342 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC(OCCO)CC1 ZINC000625269397 652337360 /nfs/dbraw/zinc/33/73/60/652337360.db2.gz OPGNAJYWQKSQLD-INIZCTEOSA-N 1 0 383.286 2.176 20 0 GEADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccnc1OCC(F)F ZINC000625270080 652337446 /nfs/dbraw/zinc/33/74/46/652337446.db2.gz LFPYMZLMJOQJQA-QWHCGFSZSA-N 1 0 375.441 2.021 20 0 GEADRO COc1cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)c(Cl)cc1Br ZINC000659047669 652338039 /nfs/dbraw/zinc/33/80/39/652338039.db2.gz JHBBEAUDGUEHLN-QMMMGPOBSA-N 1 0 378.654 2.221 20 0 GEADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000579450610 652338526 /nfs/dbraw/zinc/33/85/26/652338526.db2.gz XVLJFDDSRHJOOO-KRWDZBQOSA-N 1 0 380.286 2.298 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659081804 652340986 /nfs/dbraw/zinc/34/09/86/652340986.db2.gz QYLNCLHYGLMCHQ-VXGBXAGGSA-N 1 0 394.313 2.269 20 0 GEADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000659082349 652341490 /nfs/dbraw/zinc/34/14/90/652341490.db2.gz MDLFGOKLZSUAKX-NWDGAFQWSA-N 1 0 394.313 2.269 20 0 GEADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659085642 652341974 /nfs/dbraw/zinc/34/19/74/652341974.db2.gz LOQOAHRSZSVEGL-SFYZADRCSA-N 1 0 376.201 2.052 20 0 GEADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659085827 652342046 /nfs/dbraw/zinc/34/20/46/652342046.db2.gz CKLNMIAMCAPKKG-SECBINFHSA-N 1 0 390.228 2.314 20 0 GEADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659085639 652342080 /nfs/dbraw/zinc/34/20/80/652342080.db2.gz LOQOAHRSZSVEGL-HTQZYQBOSA-N 1 0 376.201 2.052 20 0 GEADRO CC1(C)CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)c2cc(Br)ccc21 ZINC000659087759 652342401 /nfs/dbraw/zinc/34/24/01/652342401.db2.gz BKMVXYRDADUBJB-UHFFFAOYSA-N 1 0 394.313 2.319 20 0 GEADRO CC1(C)CN(C(=O)C(=O)NCCC[NH2+]C2CC2)c2cc(Br)ccc21 ZINC000659088686 652342514 /nfs/dbraw/zinc/34/25/14/652342514.db2.gz ZVZRQRAZEJKGCQ-UHFFFAOYSA-N 1 0 394.313 2.332 20 0 GEADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659090266 652343156 /nfs/dbraw/zinc/34/31/56/652343156.db2.gz LVWIHKZCDZPHIM-CYBMUJFWSA-N 1 0 395.301 2.021 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000659106652 652344023 /nfs/dbraw/zinc/34/40/23/652344023.db2.gz AQTJWHOQLNTWJH-LLVKDONJSA-N 1 0 378.217 2.155 20 0 GEADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000579569091 652344127 /nfs/dbraw/zinc/34/41/27/652344127.db2.gz IMZUUKHYNNYWJI-DTORHVGOSA-N 1 0 388.212 2.019 20 0 GEADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625341678 652345752 /nfs/dbraw/zinc/34/57/52/652345752.db2.gz WIQHFALCPWAPMP-OWCLPIDISA-N 1 0 383.286 2.486 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000579690988 652350377 /nfs/dbraw/zinc/35/03/77/652350377.db2.gz GPUOGEGYOZBTRN-MFKMUULPSA-N 1 0 394.273 2.296 20 0 GEADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000579690987 652350601 /nfs/dbraw/zinc/35/06/01/652350601.db2.gz GPUOGEGYOZBTRN-GXFFZTMASA-N 1 0 394.273 2.296 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CC(F)(F)F)c1cccc(Cl)c1Cl ZINC000579702326 652350976 /nfs/dbraw/zinc/35/09/76/652350976.db2.gz VIWGFKNMMYRWCE-QMMMGPOBSA-N 1 0 395.230 2.175 20 0 GEADRO CC(C)OC[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000659254755 652351197 /nfs/dbraw/zinc/35/11/97/652351197.db2.gz YULIZSXYJHWSNV-INIZCTEOSA-N 1 0 399.329 2.366 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000625529588 652352548 /nfs/dbraw/zinc/35/25/48/652352548.db2.gz NWLONMMIURZMAV-LRDDRELGSA-N 1 0 390.285 2.316 20 0 GEADRO COCC[C@@]1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000579794029 652354612 /nfs/dbraw/zinc/35/46/12/652354612.db2.gz WLWKJEIIVFUYBW-GDBMZVCRSA-N 1 0 392.265 2.113 20 0 GEADRO Brc1cc(CN2CCC([NH+]3CCOCC3)CC2)cc2c1OCO2 ZINC000625554422 652355637 /nfs/dbraw/zinc/35/56/37/652355637.db2.gz VJQBHYKJYTVEBC-UHFFFAOYSA-N 1 0 383.286 2.474 20 0 GEADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000659383438 652355731 /nfs/dbraw/zinc/35/57/31/652355731.db2.gz RAAUIUJTHQMMCI-CQSZACIVSA-N 1 0 380.290 2.141 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)c1cn([C@@H]3CCC[NH2+]C3)nn1)C2 ZINC000659388192 652356045 /nfs/dbraw/zinc/35/60/45/652356045.db2.gz ZGOPIVKHBVPVKB-CYBMUJFWSA-N 1 0 390.285 2.430 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[C@H]1F ZINC000659389469 652356498 /nfs/dbraw/zinc/35/64/98/652356498.db2.gz NRSBVZAAPHVKGR-KFWWJZLASA-N 1 0 388.270 2.496 20 0 GEADRO [NH3+][C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[C@H]1F ZINC000659389470 652356510 /nfs/dbraw/zinc/35/65/10/652356510.db2.gz NRSBVZAAPHVKGR-RBSFLKMASA-N 1 0 388.270 2.496 20 0 GEADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCN(C)C[C@H]1C[NH3+] ZINC000579837387 652356747 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COC[C@]1(CNC(=O)c2cc3sc(N4CCCC4)nc3s2)CCC[NH2+]1 ZINC000579947064 652360526 /nfs/dbraw/zinc/36/05/26/652360526.db2.gz PLDJKNAPXBLJEW-QGZVFWFLSA-N 1 0 380.539 2.456 20 0 GEADRO [NH3+]C1(CNC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CCCC1 ZINC000659575032 652360915 /nfs/dbraw/zinc/36/09/15/652360915.db2.gz SOOXYVJMIVCLOD-CQSZACIVSA-N 1 0 384.318 2.171 20 0 GEADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000579951690 652361339 /nfs/dbraw/zinc/36/13/39/652361339.db2.gz YZTRFOMNODFOHS-RYUDHWBXSA-N 1 0 378.416 2.437 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579958436 652361525 /nfs/dbraw/zinc/36/15/25/652361525.db2.gz DKXNALGPGXVADB-JHJVBQTASA-N 1 0 399.276 2.160 20 0 GEADRO O=C1NCC[C@@H]1CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000579969093 652361899 /nfs/dbraw/zinc/36/18/99/652361899.db2.gz CLKKDIPRXJMPBE-CYBMUJFWSA-N 1 0 381.274 2.267 20 0 GEADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC2(c3c(Cl)cccc3Cl)CC2)n1 ZINC000659631193 652362130 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C[NH2+]CCOCCN(C)C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000627032840 652413047 /nfs/dbraw/zinc/41/30/47/652413047.db2.gz YVFXGLKLIJIVNG-HNNXBMFYSA-N 1 0 385.306 2.173 20 0 GEADRO CN(CCOCC[NH3+])C(=O)NCCc1ccc(Br)cc1Cl ZINC000627045907 652413283 /nfs/dbraw/zinc/41/32/83/652413283.db2.gz YWQMUZJZOZXQHC-UHFFFAOYSA-N 1 0 378.698 2.262 20 0 GEADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627102282 652414162 /nfs/dbraw/zinc/41/41/62/652414162.db2.gz JZQQQFVMLHKINQ-HIFRSBDPSA-N 1 0 398.301 2.293 20 0 GEADRO [NH3+]CCCOCCNC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000627114165 652414335 /nfs/dbraw/zinc/41/43/35/652414335.db2.gz ACQPSJLAVWNYNA-UHFFFAOYSA-N 1 0 384.318 2.436 20 0 GEADRO C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1cc(F)c(Br)cc1F ZINC000627125642 652414394 /nfs/dbraw/zinc/41/43/94/652414394.db2.gz KUKKFBYAHVJYSV-RKDXNWHRSA-N 1 0 378.217 2.076 20 0 GEADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627134248 652415275 /nfs/dbraw/zinc/41/52/75/652415275.db2.gz RJJJWOSSEBJDMM-SMDDNHRTSA-N 1 0 388.295 2.317 20 0 GEADRO COC(=O)CC[C@H]([NH3+])C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000581487401 652415298 /nfs/dbraw/zinc/41/52/98/652415298.db2.gz LUFUMWGWKRCOPE-YGRLFVJLSA-N 1 0 377.268 2.500 20 0 GEADRO [NH3+]C1(CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)CCOCC1 ZINC000627148796 652415873 /nfs/dbraw/zinc/41/58/73/652415873.db2.gz JZCBPVZIECIIAX-AWEZNQCLSA-N 1 0 382.302 2.456 20 0 GEADRO [NH3+]C1(CNC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000627148834 652415908 /nfs/dbraw/zinc/41/59/08/652415908.db2.gz LDVPGWBGBANSCR-AWEZNQCLSA-N 1 0 376.284 2.224 20 0 GEADRO [NH3+]C1(CNC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CCOCC1 ZINC000627147322 652415934 /nfs/dbraw/zinc/41/59/34/652415934.db2.gz GRQKPHRHQLFZKX-UHFFFAOYSA-N 1 0 387.311 2.333 20 0 GEADRO CS(=O)(=O)CC[N@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000753810469 652416291 /nfs/dbraw/zinc/41/62/91/652416291.db2.gz XOQDVZBEFRHFLT-UHFFFAOYSA-N 1 0 399.310 2.231 20 0 GEADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@H]1COCC[NH2+]1 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RNZRUAQOTPSQDU-BPUTZDHNSA-N 1 0 398.345 2.348 20 0 GEADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627206175 652418766 /nfs/dbraw/zinc/41/87/66/652418766.db2.gz HMHZKPWVUKNYCW-DUVNUKRYSA-N 1 0 398.345 2.348 20 0 GEADRO CCS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)s1 ZINC000661097022 652419443 /nfs/dbraw/zinc/41/94/43/652419443.db2.gz TVDCCXREXUQIIV-AWEZNQCLSA-N 1 0 387.571 2.461 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000627237040 652419778 /nfs/dbraw/zinc/41/97/78/652419778.db2.gz ANEWQDACYHNNTD-XHDPSFHLSA-N 1 0 385.295 2.211 20 0 GEADRO O=C(C[N@@H+]1CC[C@H](Cn2ccnn2)C1)NCCc1cccc(Cl)c1Cl ZINC000661140987 652420039 /nfs/dbraw/zinc/42/00/39/652420039.db2.gz LEFMTFXAPYPALY-ZDUSSCGKSA-N 1 0 382.295 2.266 20 0 GEADRO O=S(=O)(CC[NH2+]Cc1cscc1C(F)(F)F)NC[C@H]1CCCCO1 ZINC000581659893 652420530 /nfs/dbraw/zinc/42/05/30/652420530.db2.gz IEAMPGKULIANDC-GFCCVEGCSA-N 1 0 386.461 2.345 20 0 GEADRO O=C(CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1)Nc1ccc(Br)cc1 ZINC000661143244 652420648 /nfs/dbraw/zinc/42/06/48/652420648.db2.gz ZOAWKBYJTHUXLT-CYBMUJFWSA-N 1 0 378.274 2.391 20 0 GEADRO O=C(CCCc1ccccc1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627260232 652421189 /nfs/dbraw/zinc/42/11/89/652421189.db2.gz GBDISJCNWHIBIG-JKSUJKDBSA-N 1 0 381.314 2.439 20 0 GEADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CCOCC1 ZINC000661158554 652421435 /nfs/dbraw/zinc/42/14/35/652421435.db2.gz BNCJQDKWBCVUHG-WBVHZDCISA-N 1 0 388.302 2.220 20 0 GEADRO COC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C1CCOCC1 ZINC000661161659 652421462 /nfs/dbraw/zinc/42/14/62/652421462.db2.gz YPKAOWJKRACGBE-WBVHZDCISA-N 1 0 388.302 2.220 20 0 GEADRO O=C(c1cc(Br)c(F)cc1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627264549 652421800 /nfs/dbraw/zinc/42/18/00/652421800.db2.gz VPDUTPPXQDEUAN-ZJUUUORDSA-N 1 0 375.213 2.008 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000627335253 652423405 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OC1(C[NH+]2CCOCC2)CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC000754072871 652426411 /nfs/dbraw/zinc/42/64/11/652426411.db2.gz ZQKBGOKBYSFYMJ-UHFFFAOYSA-N 1 0 379.810 2.417 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000754075174 652426746 /nfs/dbraw/zinc/42/67/46/652426746.db2.gz LJLXQAAMFBRYMQ-UKRRQHHQSA-N 1 0 391.965 2.337 20 0 GEADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627445395 652428256 /nfs/dbraw/zinc/42/82/56/652428256.db2.gz LEKBYEOPKZFUJH-OAHLLOKOSA-N 1 0 394.313 2.117 20 0 GEADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627482208 652429583 /nfs/dbraw/zinc/42/95/83/652429583.db2.gz NPTBKTJCIRSVRW-CJNGLKHVSA-N 1 0 396.329 2.443 20 0 GEADRO CSc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1Br ZINC000627497435 652430603 /nfs/dbraw/zinc/43/06/03/652430603.db2.gz MWXPGKYYZJQWRT-UHFFFAOYSA-N 1 0 386.315 2.274 20 0 GEADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627504094 652430977 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C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)C[C@H]21 ZINC000627648993 652437338 /nfs/dbraw/zinc/43/73/38/652437338.db2.gz DVMHQCUEKDGUQC-ATCWAGBWSA-N 1 0 375.270 2.471 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCS1 ZINC000582145680 652437408 /nfs/dbraw/zinc/43/74/08/652437408.db2.gz QMICZCHOSNYHKT-HOTGVXAUSA-N 1 0 383.945 2.413 20 0 GEADRO COC(=O)C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000754519761 652437739 /nfs/dbraw/zinc/43/77/39/652437739.db2.gz HZNJITPDXKCOTN-AWEZNQCLSA-N 1 0 390.299 2.154 20 0 GEADRO COc1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)ccc1Br ZINC000582181015 652439094 /nfs/dbraw/zinc/43/90/94/652439094.db2.gz AXKAYCUVSSLNSL-LLVKDONJSA-N 1 0 377.304 2.268 20 0 GEADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661839478 652441393 /nfs/dbraw/zinc/44/13/93/652441393.db2.gz PDFJQOHDYMXXLP-HOTGVXAUSA-N 1 0 397.313 2.179 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000661954520 652442849 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COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000632263767 652553518 /nfs/dbraw/zinc/55/35/18/652553518.db2.gz GCVNBBBYSIIWKO-LLVKDONJSA-N 1 0 379.320 2.390 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)C[C@H]2CCC2(F)F)c1 ZINC000632270736 652554041 /nfs/dbraw/zinc/55/40/41/652554041.db2.gz WONAPACBWGMBBQ-OAHLLOKOSA-N 1 0 376.469 2.434 20 0 GEADRO CCCN(CCC)S(=O)(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588684147 652554829 /nfs/dbraw/zinc/55/48/29/652554829.db2.gz XEXKYVIVTRYZLH-IAGOWNOFSA-N 1 0 375.579 2.174 20 0 GEADRO C[NH+]1CCN(CCNC(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC000665771394 652559710 /nfs/dbraw/zinc/55/97/10/652559710.db2.gz CTIGSZYPSTYEHG-UHFFFAOYSA-N 1 0 393.285 2.081 20 0 GEADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589135497 652560369 /nfs/dbraw/zinc/56/03/69/652560369.db2.gz YNAUBNDKSPBRIK-UHFFFAOYSA-N 1 0 376.825 2.333 20 0 GEADRO O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589170709 652561371 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CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000666088859 652566796 /nfs/dbraw/zinc/56/67/96/652566796.db2.gz VYQRARSMBZPUEM-SJLPKXTDSA-N 1 0 385.961 2.143 20 0 GEADRO C[C@@](CO)([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000666275300 652570428 /nfs/dbraw/zinc/57/04/28/652570428.db2.gz KKFYFYIMFQKGSH-INIZCTEOSA-N 1 0 399.310 2.094 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)Cc2ccc(Br)cc2F)CC1 ZINC000666326329 652571748 /nfs/dbraw/zinc/57/17/48/652571748.db2.gz BICUQCBOJARAIK-UHFFFAOYSA-N 1 0 386.309 2.275 20 0 GEADRO CC[NH+](CC)[C@@H](CNC(=O)c1oc(S(N)(=O)=O)cc1C)c1ccsc1 ZINC000666346753 652572715 /nfs/dbraw/zinc/57/27/15/652572715.db2.gz HXBXGMFPOQKPPF-ZDUSSCGKSA-N 1 0 385.511 2.110 20 0 GEADRO COc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(I)c1 ZINC000590045848 652573413 /nfs/dbraw/zinc/57/34/13/652573413.db2.gz XXOVMJVTGHXLRF-YGRLFVJLSA-N 1 0 386.233 2.076 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(F)c(F)cc3I)[C@@H]2C1 ZINC000590044033 652573449 /nfs/dbraw/zinc/57/34/49/652573449.db2.gz FYYVLHYAQSGTQE-AMIZOPFISA-N 1 0 392.187 2.346 20 0 GEADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cn1 ZINC000632887428 652582049 /nfs/dbraw/zinc/58/20/49/652582049.db2.gz UQDYSTBCAWSYNZ-CQSZACIVSA-N 1 0 397.248 2.210 20 0 GEADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)ccc1Br ZINC000633044756 652583302 /nfs/dbraw/zinc/58/33/02/652583302.db2.gz FUYVGKNEPKAESU-LBPRGKRZSA-N 1 0 398.301 2.291 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000633046217 652583604 /nfs/dbraw/zinc/58/36/04/652583604.db2.gz UPOXNQWVAJJUFM-LLVKDONJSA-N 1 0 398.301 2.291 20 0 GEADRO COc1ccc(Br)c(NC(=O)C(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000633049251 652583949 /nfs/dbraw/zinc/58/39/49/652583949.db2.gz ZFYYBGINDGCFTK-UHFFFAOYSA-N 1 0 384.274 2.174 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000666958152 652588245 /nfs/dbraw/zinc/58/82/45/652588245.db2.gz QRGGAMNTGXWLDM-UHFFFAOYSA-N 1 0 379.262 2.055 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3sccc3C(=O)OC)C2=O)[C@@H]1SC ZINC000592168122 652589795 /nfs/dbraw/zinc/58/97/95/652589795.db2.gz UNVVIFAWNFHMNU-DGAVXFQQSA-N 1 0 384.523 2.139 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3sccc3C(=O)OC)C2=O)[C@@H]1SC ZINC000592168125 652589818 /nfs/dbraw/zinc/58/98/18/652589818.db2.gz UNVVIFAWNFHMNU-SYQHCUMBSA-N 1 0 384.523 2.139 20 0 GEADRO O=C(Cc1csc(CCC(F)(F)F)n1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000633255789 652590032 /nfs/dbraw/zinc/59/00/32/652590032.db2.gz CFODMAMBAIZYSR-ZDUSSCGKSA-N 1 0 379.448 2.144 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000633279961 652591077 /nfs/dbraw/zinc/59/10/77/652591077.db2.gz ATMQDABOZZZRJC-UHFFFAOYSA-N 1 0 384.322 2.343 20 0 GEADRO CC[N@@H+](CC(=O)N(C)C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000592389874 652593154 /nfs/dbraw/zinc/59/31/54/652593154.db2.gz MMIDZROOPWMAKW-GFCCVEGCSA-N 1 0 393.709 2.252 20 0 GEADRO O=C(N[C@@H](c1nccs1)C(F)(F)F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000667148097 652594490 /nfs/dbraw/zinc/59/44/90/652594490.db2.gz QQRWBCIHTAZYLJ-RYUDHWBXSA-N 1 0 378.420 2.299 20 0 GEADRO Cc1ncc(Br)cc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000667189086 652595824 /nfs/dbraw/zinc/59/58/24/652595824.db2.gz AWUZQNVNGPIWDK-AWEZNQCLSA-N 1 0 383.290 2.215 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2c(Br)cnn2C)C1 ZINC000633428653 652596707 /nfs/dbraw/zinc/59/67/07/652596707.db2.gz ROQCSFSAQZYPJQ-CYBMUJFWSA-N 1 0 386.338 2.350 20 0 GEADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCc3ccc(Br)cc3)c21 ZINC000592484197 652597459 /nfs/dbraw/zinc/59/74/59/652597459.db2.gz MSVBEQYQMIKVGM-ZDUSSCGKSA-N 1 0 377.286 2.454 20 0 GEADRO C[C@H](C(=O)Nc1cccc(I)c1)N1CCC(C)([NH3+])CC1 ZINC000592484990 652597504 /nfs/dbraw/zinc/59/75/04/652597504.db2.gz MDRLTNPSWRCBJO-LLVKDONJSA-N 1 0 387.265 2.431 20 0 GEADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCOc3cccc(Br)c3)c21 ZINC000592502460 652597856 /nfs/dbraw/zinc/59/78/56/652597856.db2.gz WQMSHWCLZPRCHB-LBPRGKRZSA-N 1 0 393.285 2.291 20 0 GEADRO CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC000592524335 652598790 /nfs/dbraw/zinc/59/87/90/652598790.db2.gz BMTRPAMFEXVGTE-GJZGRUSLSA-N 1 0 375.531 2.070 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CCO1 ZINC000667276234 652599708 /nfs/dbraw/zinc/59/97/08/652599708.db2.gz XBTPHEMDDSCYOI-IAQYHMDHSA-N 1 0 394.273 2.215 20 0 GEADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000592550323 652600054 /nfs/dbraw/zinc/60/00/54/652600054.db2.gz FNLNGQYRENHHHZ-ZYHUDNBSSA-N 1 0 375.252 2.124 20 0 GEADRO COC1CC[NH+](C2(CNC(=O)c3cnn(C)c3Br)CCCC2)CC1 ZINC000760257112 652601014 /nfs/dbraw/zinc/60/10/14/652601014.db2.gz VYGFTOGBUHLNJU-UHFFFAOYSA-N 1 0 399.333 2.336 20 0 GEADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCO1 ZINC000667402730 652603759 /nfs/dbraw/zinc/60/37/59/652603759.db2.gz LQLCERKLRIBMBE-JMCQJSRRSA-N 1 0 380.659 2.160 20 0 GEADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000667404306 652604018 /nfs/dbraw/zinc/60/40/18/652604018.db2.gz JTZNGDJLSPSSOZ-NHYWBVRUSA-N 1 0 398.301 2.086 20 0 GEADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667419657 652604492 /nfs/dbraw/zinc/60/44/92/652604492.db2.gz WFCVWCPWRDSYIW-GHMZBOCLSA-N 1 0 375.416 2.475 20 0 GEADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667421155 652604545 /nfs/dbraw/zinc/60/45/45/652604545.db2.gz DLKYRSKMDGDADY-JGVFFNPUSA-N 1 0 392.656 2.376 20 0 GEADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667452209 652606020 /nfs/dbraw/zinc/60/60/20/652606020.db2.gz HCWNEZNGUNTUPK-HTQZYQBOSA-N 1 0 392.656 2.376 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000667473998 652606981 /nfs/dbraw/zinc/60/69/81/652606981.db2.gz HYBMYUFIUFCUHJ-KRWDZBQOSA-N 1 0 380.286 2.216 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3Cl)C[C@@H]12 ZINC000667472743 652607032 /nfs/dbraw/zinc/60/70/32/652607032.db2.gz YPHUOPRXPMLRPU-MKPLZMMCSA-N 1 0 386.677 2.237 20 0 GEADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667507419 652609222 /nfs/dbraw/zinc/60/92/22/652609222.db2.gz SGHDLYBHRPYSSP-ZDUSSCGKSA-N 1 0 380.286 2.135 20 0 GEADRO O=C(Nc1ccc(Br)c2cccnc12)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667506579 652609269 /nfs/dbraw/zinc/60/92/69/652609269.db2.gz WFUAWNORWPAFBF-NSHDSACASA-N 1 0 391.269 2.194 20 0 GEADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC000667515438 652609698 /nfs/dbraw/zinc/60/96/98/652609698.db2.gz ZSYJNPAMDIUDQF-UHFFFAOYSA-N 1 0 375.803 2.262 20 0 GEADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1Br ZINC000667516467 652609752 /nfs/dbraw/zinc/60/97/52/652609752.db2.gz RDWHGNGYAMMJEB-GFCCVEGCSA-N 1 0 386.265 2.292 20 0 GEADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[NH2+]1 ZINC000667521437 652610300 /nfs/dbraw/zinc/61/03/00/652610300.db2.gz DKILVPPMXDAFSM-CYBMUJFWSA-N 1 0 390.228 2.122 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667517642 652610344 /nfs/dbraw/zinc/61/03/44/652610344.db2.gz ZKCAKRXCFGUTOP-WCQYABFASA-N 1 0 391.273 2.246 20 0 GEADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000667521529 652610731 /nfs/dbraw/zinc/61/07/31/652610731.db2.gz YTWKGYCKGHRTKO-CYBMUJFWSA-N 1 0 398.301 2.161 20 0 GEADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000592984988 652610793 /nfs/dbraw/zinc/61/07/93/652610793.db2.gz YSQDUSLASMIVCL-AWEZNQCLSA-N 1 0 394.269 2.441 20 0 GEADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000667522381 652610818 /nfs/dbraw/zinc/61/08/18/652610818.db2.gz SXURYMRXPULIAA-OKILXGFUSA-N 1 0 380.286 2.357 20 0 GEADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1Br ZINC000667537163 652611130 /nfs/dbraw/zinc/61/11/30/652611130.db2.gz RUWPJQWHYABXMZ-WFASDCNBSA-N 1 0 380.286 2.215 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)n2)s1 ZINC000667540176 652611500 /nfs/dbraw/zinc/61/15/00/652611500.db2.gz CMXXSGZYTQCOPY-RYUDHWBXSA-N 1 0 376.507 2.329 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667543431 652611871 /nfs/dbraw/zinc/61/18/71/652611871.db2.gz DGTFFTGLIXJBGB-RDDDGLTNSA-N 1 0 392.656 2.294 20 0 GEADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3nc4c(cccc4Br)[nH]3)C[C@@H]12 ZINC000633759130 652611946 /nfs/dbraw/zinc/61/19/46/652611946.db2.gz VNSNGTYXWYTEEL-HOSYDEDBSA-N 1 0 378.274 2.204 20 0 GEADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC[NH2+]1 ZINC000667556189 652613222 /nfs/dbraw/zinc/61/32/22/652613222.db2.gz DVGATEJDLLQYLU-JGVFFNPUSA-N 1 0 392.656 2.437 20 0 GEADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)C(=O)NC[C@@H](C)[NH3+])c1C ZINC000667559592 652613374 /nfs/dbraw/zinc/61/33/74/652613374.db2.gz PUVZCGVZYQQDTK-MRVPVSSYSA-N 1 0 384.267 2.198 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000667584431 652614348 /nfs/dbraw/zinc/61/43/48/652614348.db2.gz HQJWSUPNGMDOEH-STQMWFEESA-N 1 0 386.265 2.163 20 0 GEADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000667586164 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GEADRO CC[NH+]1CCC(CNC(=O)C(=O)NCc2cc(Br)ccc2C)CC1 ZINC000671376463 652794324 /nfs/dbraw/zinc/79/43/24/652794324.db2.gz HMESKZOFRKRUJV-UHFFFAOYSA-N 1 0 396.329 2.222 20 0 GEADRO C[NH+](C)C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000636442813 652803820 /nfs/dbraw/zinc/80/38/20/652803820.db2.gz UMJPYNJFUQULFD-SWLSCSKDSA-N 1 0 388.295 2.008 20 0 GEADRO Cn1ncc(Br)c1CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000636472730 652804905 /nfs/dbraw/zinc/80/49/05/652804905.db2.gz KGFOMFMUGQFROF-AWEZNQCLSA-N 1 0 398.280 2.424 20 0 GEADRO COCCCCNC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636547167 652808484 /nfs/dbraw/zinc/80/84/84/652808484.db2.gz ZGSFQDQHGQYYSY-HNNXBMFYSA-N 1 0 390.311 2.255 20 0 GEADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000636586409 652809800 /nfs/dbraw/zinc/80/98/00/652809800.db2.gz VDCBFVOFTBUDAI-NWDGAFQWSA-N 1 0 375.416 2.126 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2[nH]c(=O)oc2c1 ZINC000671754462 652812045 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CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000638572311 652895956 /nfs/dbraw/zinc/89/59/56/652895956.db2.gz BQCOXWLQUQILOT-UONOGXRCSA-N 1 0 389.315 2.031 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(F)c(F)cc3I)C[C@H]21 ZINC000600000410 652896655 /nfs/dbraw/zinc/89/66/55/652896655.db2.gz VPRXPCKXUZQWBK-WOFXILAISA-N 1 0 392.187 2.201 20 0 GEADRO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]1 ZINC000638596942 652897622 /nfs/dbraw/zinc/89/76/22/652897622.db2.gz UXCDZRDZDCGGCZ-SLEUVZQESA-N 1 0 380.286 2.059 20 0 GEADRO O=C(COc1ccc2cc(Br)ccc2c1)NC[C@@H]1COCC[NH2+]1 ZINC000638618773 652899255 /nfs/dbraw/zinc/89/92/55/652899255.db2.gz CHSAFHPBOCMJJN-OAHLLOKOSA-N 1 0 379.254 2.086 20 0 GEADRO O=C(Nc1cc(C(=O)NC[C@H]2COCC[NH2+]2)ccc1Cl)c1cccs1 ZINC000638624667 652899801 /nfs/dbraw/zinc/89/98/01/652899801.db2.gz GLTMMADAHMUAGY-LBPRGKRZSA-N 1 0 379.869 2.372 20 0 GEADRO C[C@H]1CC[C@@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C[NH2+]1 ZINC000638648233 652900801 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[NH3+][C@H]1CCCCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000638833770 652908479 /nfs/dbraw/zinc/90/84/79/652908479.db2.gz CHBRMYXOFMNPRQ-JTQLQIEISA-N 1 0 382.258 2.124 20 0 GEADRO [NH3+]C1CCC(OCC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000638833237 652908500 /nfs/dbraw/zinc/90/85/00/652908500.db2.gz XDVDFBOKHLTSJN-PJKPNXIZSA-N 1 0 379.298 2.490 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C1 ZINC000674752606 652910981 /nfs/dbraw/zinc/91/09/81/652910981.db2.gz GPOKIXIFKVSEFS-MXWKQRLJSA-N 1 0 382.370 2.331 20 0 GEADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919012 652913229 /nfs/dbraw/zinc/91/32/29/652913229.db2.gz DCYOOOFISYXFLC-DVOMOZLQSA-N 1 0 394.313 2.166 20 0 GEADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000638948241 652914605 /nfs/dbraw/zinc/91/46/05/652914605.db2.gz RWYXBDWHXCXVNH-XNRPHZJLSA-N 1 0 394.313 2.436 20 0 GEADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000639026181 652916206 /nfs/dbraw/zinc/91/62/06/652916206.db2.gz DBNUTSSELLMKSG-UBHSHLNASA-N 1 0 380.286 2.188 20 0 GEADRO O=C(Nc1ncc(Br)s1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000639033544 652916633 /nfs/dbraw/zinc/91/66/33/652916633.db2.gz SSWGTNKELCSXHQ-YFKPBYRVSA-N 1 0 393.217 2.221 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)s1 ZINC000639105795 652918804 /nfs/dbraw/zinc/91/88/04/652918804.db2.gz RMELTAXUABNYEH-HNNXBMFYSA-N 1 0 397.591 2.103 20 0 GEADRO CO[C@@H](CNc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1CCOC1 ZINC000639241362 652927475 /nfs/dbraw/zinc/92/74/75/652927475.db2.gz JVRKIIOJPVWBME-DOMZBBRYSA-N 1 0 386.290 2.144 20 0 GEADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)s1 ZINC000675466818 652927814 /nfs/dbraw/zinc/92/78/14/652927814.db2.gz LHRUXFJWTNUNSL-ZDUSSCGKSA-N 1 0 387.571 2.440 20 0 GEADRO CCCN(Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000639299710 652931260 /nfs/dbraw/zinc/93/12/60/652931260.db2.gz SXUFFILIHRDHLA-ZDUSSCGKSA-N 1 0 390.347 2.013 20 0 GEADRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cnn3cc(Br)cnc23)CC1=O ZINC000639327287 652932557 /nfs/dbraw/zinc/93/25/57/652932557.db2.gz ITHMXGKDXUGJEX-NSHDSACASA-N 1 0 380.290 2.228 20 0 GEADRO CN1CC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C[C@H]1c1ccc(Br)cc1 ZINC000639355354 652933561 /nfs/dbraw/zinc/93/35/61/652933561.db2.gz SWSYYCGOGDKPRV-KSZLIROESA-N 1 0 382.346 2.241 20 0 GEADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000675739966 652939414 /nfs/dbraw/zinc/93/94/14/652939414.db2.gz AZQAQTQRQSFVLM-CQSZACIVSA-N 1 0 389.315 2.286 20 0 GEADRO Fc1cc(CN2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)ccc1Br ZINC000639518598 652939883 /nfs/dbraw/zinc/93/98/83/652939883.db2.gz KMRCLMBHOOBGPH-AWEZNQCLSA-N 1 0 394.292 2.485 20 0 GEADRO C[C@H]1OCC[C@H]1C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000639520113 652939952 /nfs/dbraw/zinc/93/99/52/652939952.db2.gz XESOIOUYWDPVRM-CABCVRRESA-N 1 0 396.329 2.430 20 0 GEADRO COc1cc(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cnc1Cl ZINC000767667336 652940584 /nfs/dbraw/zinc/94/05/84/652940584.db2.gz XXUWUDYNVYGCFP-AWEZNQCLSA-N 1 0 383.901 2.195 20 0 GEADRO Cc1ncc(CNC(=O)CC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000639563729 652942050 /nfs/dbraw/zinc/94/20/50/652942050.db2.gz ZHSNVNXMQAQCBV-LBPRGKRZSA-N 1 0 381.523 2.212 20 0 GEADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000639593011 652942368 /nfs/dbraw/zinc/94/23/68/652942368.db2.gz ACIFCSVVHXBTRZ-GFCCVEGCSA-N 1 0 383.208 2.483 20 0 GEADRO Nc1nnc(C2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)o1 ZINC000639725922 652950173 /nfs/dbraw/zinc/95/01/73/652950173.db2.gz MSCWRSOTZILLMW-GFCCVEGCSA-N 1 0 387.267 2.578 20 0 GEADRO COc1cc(S(=O)(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cnc1Cl ZINC000767821415 652952422 /nfs/dbraw/zinc/95/24/22/652952422.db2.gz KIHIANMOPOHXEB-RWMBFGLXSA-N 1 0 375.922 2.388 20 0 GEADRO C[C@@H](NC(=O)CN1CCC[C@](O)(C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000639766880 652952730 /nfs/dbraw/zinc/95/27/30/652952730.db2.gz RVQHDXAZRNOLGS-KDOFPFPSSA-N 1 0 398.345 2.015 20 0 GEADRO COc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1Cl ZINC000767827065 652953384 /nfs/dbraw/zinc/95/33/84/652953384.db2.gz XYQCGBOBWHEUMC-WFASDCNBSA-N 1 0 385.917 2.381 20 0 GEADRO Cc1cc(NC(=O)C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)no1 ZINC000625794340 653045457 /nfs/dbraw/zinc/04/54/57/653045457.db2.gz HAYCMHRVDORGCM-QGZVFWFLSA-N 1 0 394.269 2.194 20 0 GEADRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000639852543 653086573 /nfs/dbraw/zinc/08/65/73/653086573.db2.gz UMFHYXHOWGOEMQ-QANKJYHBSA-N 1 0 387.307 2.475 20 0 GEADRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000639856402 653086851 /nfs/dbraw/zinc/08/68/51/653086851.db2.gz YTEWDTCDLJLFBP-RDJZCZTQSA-N 1 0 378.270 2.224 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000601336316 653086800 /nfs/dbraw/zinc/08/68/00/653086800.db2.gz KMKBQCIOBFGQQP-DLBZAZTESA-N 1 0 396.329 2.498 20 0 GEADRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1I ZINC000601335368 653086883 /nfs/dbraw/zinc/08/68/83/653086883.db2.gz SRCIFJNJPDZMEL-WFASDCNBSA-N 1 0 399.276 2.304 20 0 GEADRO Cc1cc(Br)ccc1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000601336317 653086932 /nfs/dbraw/zinc/08/69/32/653086932.db2.gz KMKBQCIOBFGQQP-IAGOWNOFSA-N 1 0 396.329 2.498 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)ccc2s1 ZINC000601346804 653087771 /nfs/dbraw/zinc/08/77/71/653087771.db2.gz ZCPMQLFWDQMXBF-DGCLKSJQSA-N 1 0 382.507 2.293 20 0 GEADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)Nc1ccncc1Br ZINC000639901571 653087842 /nfs/dbraw/zinc/08/78/42/653087842.db2.gz YCAGFIHLKIYQEV-CYBMUJFWSA-N 1 0 397.317 2.373 20 0 GEADRO CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C(F)F)o3)C2)CC1 ZINC000601370789 653089042 /nfs/dbraw/zinc/08/90/42/653089042.db2.gz XFXJYNYBBXGXKG-ZDUSSCGKSA-N 1 0 377.457 2.006 20 0 GEADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(OC)c(Br)cn1 ZINC000639968284 653091603 /nfs/dbraw/zinc/09/16/03/653091603.db2.gz SROJHBALETZULF-NSHDSACASA-N 1 0 389.294 2.331 20 0 GEADRO CSC1(CNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC[NH+](C)CC1 ZINC000601416747 653093061 /nfs/dbraw/zinc/09/30/61/653093061.db2.gz XDDYHGUXCTWSEL-UHFFFAOYSA-N 1 0 387.552 2.108 20 0 GEADRO CN1CCN(C(=O)C[N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000640060043 653094682 /nfs/dbraw/zinc/09/46/82/653094682.db2.gz XPVOIPLQFMPLNU-UHFFFAOYSA-N 1 0 387.311 2.028 20 0 GEADRO C[C@@H](CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)[NH+]1CCCC1 ZINC000767980682 653096800 /nfs/dbraw/zinc/09/68/00/653096800.db2.gz MRDSKVPXLINIIX-VIFPVBQESA-N 1 0 389.681 2.037 20 0 GEADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1c(Br)c(C)nn1C ZINC000640163443 653098041 /nfs/dbraw/zinc/09/80/41/653098041.db2.gz KCEUWDYZCNKKDT-UHFFFAOYSA-N 1 0 390.326 2.313 20 0 GEADRO CC1CC[NH+](CCCNc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000676496749 653098297 /nfs/dbraw/zinc/09/82/97/653098297.db2.gz OOSTURCMYLBJAD-UHFFFAOYSA-N 1 0 391.335 2.025 20 0 GEADRO CSc1nc2ncnc(NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)c2s1 ZINC000771192328 653099659 /nfs/dbraw/zinc/09/96/59/653099659.db2.gz RTYKGBBBXBUXQD-LLVKDONJSA-N 1 0 380.543 2.163 20 0 GEADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000771233271 653102208 /nfs/dbraw/zinc/10/22/08/653102208.db2.gz OOFXKMAPNTZFFU-CYBMUJFWSA-N 1 0 382.302 2.170 20 0 GEADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)s3)CC2)C1 ZINC000676639479 653102592 /nfs/dbraw/zinc/10/25/92/653102592.db2.gz YACMOXGNAYSPIZ-HNNXBMFYSA-N 1 0 385.599 2.446 20 0 GEADRO C[C@H](CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)[N@H+](C)C1CC1 ZINC000768166327 653103587 /nfs/dbraw/zinc/10/35/87/653103587.db2.gz KJTHOGZKXSLMHH-MRVPVSSYSA-N 1 0 389.681 2.035 20 0 GEADRO Brc1cc2c(cc1CN1CC[NH+](C[C@H]3CCCO3)CC1)OCO2 ZINC000601598425 653112373 /nfs/dbraw/zinc/11/23/73/653112373.db2.gz RNIKXIVICNSFIB-CQSZACIVSA-N 1 0 383.286 2.474 20 0 GEADRO Cn1c(Cl)c(Cl)cc1-c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000771472885 653112568 /nfs/dbraw/zinc/11/25/68/653112568.db2.gz RQVXAAXGAFWILV-UHFFFAOYSA-N 1 0 386.283 2.477 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)Nc2nn(C)cc2Br)[NH+](C)C)cc1 ZINC000640308634 653113806 /nfs/dbraw/zinc/11/38/06/653113806.db2.gz JGUMAGQNRHOHIC-CQSZACIVSA-N 1 0 380.290 2.915 20 0 GEADRO COc1cccc([C@H](CNC(=O)Nc2nn(C)cc2Br)[NH+](C)C)c1 ZINC000640309051 653113933 /nfs/dbraw/zinc/11/39/33/653113933.db2.gz WKWAOONSAWPYLT-AWEZNQCLSA-N 1 0 396.289 2.616 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000640310761 653115199 /nfs/dbraw/zinc/11/51/99/653115199.db2.gz CJQZJTWEXREALN-TZMCWYRMSA-N 1 0 392.301 2.967 20 0 GEADRO Cn1cc(Br)c(NC(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000640311010 653115275 /nfs/dbraw/zinc/11/52/75/653115275.db2.gz IKPPZZLDWFEQKR-UHFFFAOYSA-N 1 0 386.319 2.840 20 0 GEADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1nn(C)cc1Br ZINC000640312483 653116537 /nfs/dbraw/zinc/11/65/37/653116537.db2.gz NGMDHWODWGWLCM-WFASDCNBSA-N 1 0 392.301 2.825 20 0 GEADRO C[N@@H+]1CC[C@@H](c2nc(-c3ccc4ncc(I)n4c3)no2)C1 ZINC000771634446 653122331 /nfs/dbraw/zinc/12/23/31/653122331.db2.gz LJNBAJKJBRKGAF-SNVBAGLBSA-N 1 0 395.204 2.408 20 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COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000602559527 653191340 /nfs/dbraw/zinc/19/13/40/653191340.db2.gz DMLBISJCMWVDJP-LNSITVRQSA-N 1 0 383.286 2.434 20 0 GEADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000681790253 653191369 /nfs/dbraw/zinc/19/13/69/653191369.db2.gz BOODOYZRYQXNST-JGGQBBKZSA-N 1 0 394.313 2.401 20 0 GEADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncnc(C(F)(F)F)c1Br ZINC000641362883 653192437 /nfs/dbraw/zinc/19/24/37/653192437.db2.gz UHDUYOXNYXCPFP-VIFPVBQESA-N 1 0 382.228 2.306 20 0 GEADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(I)s1 ZINC000602625842 653196152 /nfs/dbraw/zinc/19/61/52/653196152.db2.gz VXFXLKOAHAXYIR-NWDGAFQWSA-N 1 0 397.278 2.263 20 0 GEADRO COc1cc(CS(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000641384797 653196403 /nfs/dbraw/zinc/19/64/03/653196403.db2.gz XLYYLJNWGPCBCL-OAHLLOKOSA-N 1 0 381.523 2.188 20 0 GEADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cc(C(=O)OC)cs2)CC1 ZINC000602665765 653199527 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COc1cnc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000641467278 653210024 /nfs/dbraw/zinc/21/00/24/653210024.db2.gz HMAZLFZSWBCJBD-XJKSGUPXSA-N 1 0 383.334 2.315 20 0 GEADRO O=S1(=O)CC(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000682474685 653211332 /nfs/dbraw/zinc/21/13/32/653211332.db2.gz FJQGCBIDOJZEOM-UHFFFAOYSA-N 1 0 384.299 2.159 20 0 GEADRO CCOc1cc(C[NH2+]CCC2CS(=O)(=O)C2)cc(Br)c1OC ZINC000682474340 653211488 /nfs/dbraw/zinc/21/14/88/653211488.db2.gz DLERJQUEAOTXBU-UHFFFAOYSA-N 1 0 392.315 2.381 20 0 GEADRO COc1ncc(Br)c(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000641490267 653212893 /nfs/dbraw/zinc/21/28/93/653212893.db2.gz ZAEVHVSUDBMKOG-UHFFFAOYSA-N 1 0 398.349 2.102 20 0 GEADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1CS(=O)(=O)C1 ZINC000682501036 653215702 /nfs/dbraw/zinc/21/57/02/653215702.db2.gz LGDMNHLQOBFPSV-LLVKDONJSA-N 1 0 389.315 2.191 20 0 GEADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1CS(=O)(=O)C1 ZINC000682498878 653215740 /nfs/dbraw/zinc/21/57/40/653215740.db2.gz QEZAPSDNKYJKMY-NSHDSACASA-N 1 0 389.315 2.191 20 0 GEADRO CC(C)OCCC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602955976 653217389 /nfs/dbraw/zinc/21/73/89/653217389.db2.gz NCFVAPFOWBLKNM-UHFFFAOYSA-N 1 0 390.269 2.018 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1nc(Br)nc1Br ZINC000808189865 653221549 /nfs/dbraw/zinc/22/15/49/653221549.db2.gz BLDXZKGBJDPKRY-ZJUUUORDSA-N 1 0 393.127 2.319 20 0 GEADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1nc(Br)nc1Br ZINC000808189862 653221566 /nfs/dbraw/zinc/22/15/66/653221566.db2.gz BLDXZKGBJDPKRY-NXEZZACHSA-N 1 0 393.127 2.319 20 0 GEADRO COC(=O)C[C@]1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCCOC1 ZINC000770703550 653221679 /nfs/dbraw/zinc/22/16/79/653221679.db2.gz CLJPFVIZSPIVHX-SUMWQHHRSA-N 1 0 392.279 2.435 20 0 GEADRO Brc1ccc(C[NH2+]CCOC[C@@H]2CCOC2)c(N2CCOCC2)c1 ZINC000682730781 653222672 /nfs/dbraw/zinc/22/26/72/653222672.db2.gz PDSDFOUCZSZKGQ-OAHLLOKOSA-N 1 0 399.329 2.428 20 0 GEADRO Cc1nc(Br)ccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000774077806 653223045 /nfs/dbraw/zinc/22/30/45/653223045.db2.gz GNVCRVUIGQETLL-ZIAGYGMSSA-N 1 0 383.290 2.215 20 0 GEADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000683173993 653229246 /nfs/dbraw/zinc/22/92/46/653229246.db2.gz UWWDVYOJPIUNRE-HZPDHXFCSA-N 1 0 394.313 2.151 20 0 GEADRO O[C@H]1CC[N@@H+](C2CCN(c3ncnc(C(F)(F)F)c3Br)CC2)C1 ZINC000641669143 653229590 /nfs/dbraw/zinc/22/95/90/653229590.db2.gz KTJKPNDTIHHXCV-JTQLQIEISA-N 1 0 395.223 2.293 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000774240661 653230617 /nfs/dbraw/zinc/23/06/17/653230617.db2.gz MORUJKKWVLVMRY-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO [NH3+]C/C=C\CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000641867018 653235547 /nfs/dbraw/zinc/23/55/47/653235547.db2.gz LTXQRHAYIBLYBT-UPHRSURJSA-N 1 0 377.798 2.100 20 0 GEADRO Cc1nc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)ccc1Br ZINC000683663854 653237600 /nfs/dbraw/zinc/23/76/00/653237600.db2.gz LGHAXJSBCHLQTI-LBPRGKRZSA-N 1 0 383.290 2.080 20 0 GEADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000774478214 653239118 /nfs/dbraw/zinc/23/91/18/653239118.db2.gz ZVGBCUQLZAAPNY-ZLDLUXBVSA-N 1 0 398.301 2.432 20 0 GEADRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000642342528 653244881 /nfs/dbraw/zinc/24/48/81/653244881.db2.gz ZQUCPWIXNWFVIH-CYBMUJFWSA-N 1 0 375.922 2.237 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000642523546 653249035 /nfs/dbraw/zinc/24/90/35/653249035.db2.gz OEMLUVXFCUVWHD-GFCCVEGCSA-N 1 0 385.917 2.235 20 0 GEADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1F ZINC000684011484 653250452 /nfs/dbraw/zinc/25/04/52/653250452.db2.gz NGWYZOJWVZJGTE-GFCCVEGCSA-N 1 0 398.276 2.436 20 0 GEADRO C[NH+](C)Cc1ccccc1NC(=O)c1c(Br)nc2n1CCOC2 ZINC000856929236 653253502 /nfs/dbraw/zinc/25/35/02/653253502.db2.gz DDMPNOPRZIQZBM-UHFFFAOYSA-N 1 0 379.258 2.490 20 0 GEADRO CN1CC[NH+](CC2CCN(C(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856945379 653258795 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20 0 GEADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000874172401 653278938 /nfs/dbraw/zinc/27/89/38/653278938.db2.gz YRHYDKCPZYZSAR-DOMZBBRYSA-N 1 0 380.286 2.249 20 0 GEADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1Cl ZINC000874171772 653278975 /nfs/dbraw/zinc/27/89/75/653278975.db2.gz VNGZQUGHHOQDBD-QMTHXVAHSA-N 1 0 386.279 2.493 20 0 GEADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000874175917 653280612 /nfs/dbraw/zinc/28/06/12/653280612.db2.gz QXVGUAPREQOAQG-YPMHNXCESA-N 1 0 398.276 2.388 20 0 GEADRO CC(C)(C)OC(=O)NCCC[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000775036114 653282730 /nfs/dbraw/zinc/28/27/30/653282730.db2.gz BJVYMCJUYOWYAP-UHFFFAOYSA-N 1 0 397.950 2.184 20 0 GEADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000835707958 653288911 /nfs/dbraw/zinc/28/89/11/653288911.db2.gz AUPGZUCSYMBAPP-MRXNPFEDSA-N 1 0 388.295 2.395 20 0 GEADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775150921 653291843 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O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000775184589 653301733 /nfs/dbraw/zinc/30/17/33/653301733.db2.gz RFVBBUOVWAIAMC-HNNXBMFYSA-N 1 0 384.307 2.031 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c(Br)nc2n1CCOC2 ZINC000857322880 653309589 /nfs/dbraw/zinc/30/95/89/653309589.db2.gz RBGVAVPQYSSTNL-GFCCVEGCSA-N 1 0 397.317 2.313 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(Br)c1 ZINC000874362619 653311703 /nfs/dbraw/zinc/31/17/03/653311703.db2.gz BHPWGWPQZXHAGD-GJZGRUSLSA-N 1 0 380.286 2.391 20 0 GEADRO CC[C@H]1CN(CC)CCN1C(=O)C(=O)Nc1ccc(Br)nc1C ZINC000835898765 653312395 /nfs/dbraw/zinc/31/23/95/653312395.db2.gz OQHITJXMXUVDJL-LBPRGKRZSA-N 1 0 383.290 2.034 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874363285 653312525 /nfs/dbraw/zinc/31/25/25/653312525.db2.gz PPCKPUOUCLPKAH-GJZGRUSLSA-N 1 0 380.286 2.391 20 0 GEADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000874363503 653312591 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GEADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000810070727 653321104 /nfs/dbraw/zinc/32/11/04/653321104.db2.gz WHTJNDSKGQWAJQ-LSDHHAIUSA-N 1 0 377.551 2.084 20 0 GEADRO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000810090944 653324030 /nfs/dbraw/zinc/32/40/30/653324030.db2.gz BQWAKYLJZYETFW-CQSZACIVSA-N 1 0 377.551 2.034 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cccc(I)c1 ZINC000714376035 653324469 /nfs/dbraw/zinc/32/44/69/653324469.db2.gz ILSLLXYTONKZLC-CYBMUJFWSA-N 1 0 379.263 2.348 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@H]1[NH+](C)C ZINC000775725242 653326164 /nfs/dbraw/zinc/32/61/64/653326164.db2.gz KJLPDPVKCYCRAC-RQJHMYQMSA-N 1 0 390.399 2.048 20 0 GEADRO CN1CC[NH+](CCCCNC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000810112127 653326236 /nfs/dbraw/zinc/32/62/36/653326236.db2.gz JECQDPUXXAGFHK-UHFFFAOYSA-N 1 0 389.725 2.255 20 0 GEADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCC[NH+](C)C)ccc1Cl ZINC000775816076 653330152 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GEADRO Cn1nnc(Br)c1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000811493214 653394730 /nfs/dbraw/zinc/39/47/30/653394730.db2.gz FEXOMNBXGAPOTG-UHFFFAOYSA-N 1 0 384.322 2.354 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000859019625 653394898 /nfs/dbraw/zinc/39/48/98/653394898.db2.gz VSQJLCROBAFKBW-QWRGUYRKSA-N 1 0 375.878 2.279 20 0 GEADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000859045414 653396870 /nfs/dbraw/zinc/39/68/70/653396870.db2.gz KXAFQXLMPJWSHL-NEPJUHHUSA-N 1 0 387.889 2.376 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=S)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000777477246 653399689 /nfs/dbraw/zinc/39/96/89/653399689.db2.gz QZSXIMAAFZFVAE-UHFFFAOYSA-N 1 0 382.521 2.198 20 0 GEADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2scnc2Br)CC1 ZINC000837134348 653403147 /nfs/dbraw/zinc/40/31/47/653403147.db2.gz HCJKZUGXFCEYNN-UHFFFAOYSA-N 1 0 375.336 2.052 20 0 GEADRO C[C@H]1C[C@H](NC(=S)NCC2CC[NH+](C)CC2)c2ccsc2S1(=O)=O ZINC000811720194 653403663 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CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000811929479 653413190 /nfs/dbraw/zinc/41/31/90/653413190.db2.gz IFTRHKBJNNIMMA-LBPRGKRZSA-N 1 0 375.922 2.049 20 0 GEADRO C[NH+](C)C1(C)CCC(NC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000876335264 653423471 /nfs/dbraw/zinc/42/34/71/653423471.db2.gz ZDAWVXAOPBLNIN-UHFFFAOYSA-N 1 0 380.290 2.485 20 0 GEADRO C[C@H]1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)[C@@H](C)[C@H]1[NH3+] ZINC000837303794 653425092 /nfs/dbraw/zinc/42/50/92/653425092.db2.gz SRXFSZUTLLLBDK-MKBNYLNASA-N 1 0 385.917 2.078 20 0 GEADRO O=C1NC2(CO1)CC[NH+]([C@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000859245986 653429041 /nfs/dbraw/zinc/42/90/41/653429041.db2.gz LLULPQIYUQAVQL-AWEZNQCLSA-N 1 0 394.269 2.277 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)CCc1ccccc1Br ZINC000812505686 653430432 /nfs/dbraw/zinc/43/04/32/653430432.db2.gz DQIBSKBBOMGHAH-CYBMUJFWSA-N 1 0 375.332 2.395 20 0 GEADRO O=C1NCC2(CC[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CC2)O1 ZINC000859269345 653430818 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Cn1ncc(C[NH3+])c1C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000876614479 653438249 /nfs/dbraw/zinc/43/82/49/653438249.db2.gz LSGYOUZBHQCVDK-UHFFFAOYSA-N 1 0 377.286 2.493 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876634138 653439218 /nfs/dbraw/zinc/43/92/18/653439218.db2.gz ZHZMSZCLJVAIQZ-GWCFXTLKSA-N 1 0 390.228 2.042 20 0 GEADRO Cc1cc(NC(=O)CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000876635784 653439594 /nfs/dbraw/zinc/43/95/94/653439594.db2.gz ISZVGQPKWBNICD-IRBQFCFKSA-N 1 0 380.286 2.368 20 0 GEADRO COc1cc(Br)c(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1OC ZINC000876642445 653440794 /nfs/dbraw/zinc/44/07/94/653440794.db2.gz AYWVVIIOAJWEOP-XPTSAGLGSA-N 1 0 375.238 2.030 20 0 GEADRO CCc1c(NC(=O)[C@@H](N)C[NH+](C)C)n[nH]c1-c1ccc(Br)cc1 ZINC000876658895 653441373 /nfs/dbraw/zinc/44/13/73/653441373.db2.gz ITOSXGFNTLTDMW-ZDUSSCGKSA-N 1 0 380.290 2.229 20 0 GEADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1c(C[NH3+])cnn1C ZINC000876679272 653442365 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380.286 2.027 20 0 GEADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877392072 653493210 /nfs/dbraw/zinc/49/32/10/653493210.db2.gz FDBPWRGXXDJZBQ-SUMWQHHRSA-N 1 0 376.507 2.400 20 0 GEADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877395075 653495058 /nfs/dbraw/zinc/49/50/58/653495058.db2.gz IBDFECAVCLRVIE-PBHICJAKSA-N 1 0 395.301 2.362 20 0 GEADRO Cc1c(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)nnn1-c1cccc(Br)c1 ZINC000877393332 653496977 /nfs/dbraw/zinc/49/69/77/653496977.db2.gz PNSDFNUGZNORFH-WMLDXEAASA-N 1 0 390.285 2.353 20 0 GEADRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000877417112 653507153 /nfs/dbraw/zinc/50/71/53/653507153.db2.gz NIHRPETVKMZDJF-VXGBXAGGSA-N 1 0 396.289 2.448 20 0 GEADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000813511895 653518407 /nfs/dbraw/zinc/51/84/07/653518407.db2.gz PDFZCGZTKGUCSI-UHFFFAOYSA-N 1 0 376.682 2.074 20 0 GEADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)CCCCCC[NH3+])ccc1Cl ZINC000877442277 653518513 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C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841232254 653711505 /nfs/dbraw/zinc/71/15/05/653711505.db2.gz VBRCYPFYMXBELP-UWVGGRQHSA-N 1 0 376.309 2.374 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000841238698 653711937 /nfs/dbraw/zinc/71/19/37/653711937.db2.gz RWBNFGHDZJGIDA-UHFFFAOYSA-N 1 0 397.317 2.459 20 0 GEADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000841255609 653712591 /nfs/dbraw/zinc/71/25/91/653712591.db2.gz WYPCYFQTRDEUEH-OLZOCXBDSA-N 1 0 395.301 2.021 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NCC[N@H+](C)C2CC2)c(Br)c1 ZINC000785579102 653712888 /nfs/dbraw/zinc/71/28/88/653712888.db2.gz FAAQTSSRDHKWDK-UHFFFAOYSA-N 1 0 384.274 2.129 20 0 GEADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2c3c(ccc2Br)OCC3)[C@@H](C)C1 ZINC000880800015 653713831 /nfs/dbraw/zinc/71/38/31/653713831.db2.gz IXGCRULSQDDTNM-NWDGAFQWSA-N 1 0 398.301 2.303 20 0 GEADRO COCCN(CC[NH+](C)C)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880801723 653714235 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2.210 20 0 GEADRO O=C(NCc1noc([C@@H](F)[C@@H]2CC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000863674806 653718582 /nfs/dbraw/zinc/71/85/82/653718582.db2.gz BOKLVNPGVWSDCU-MFKMUULPSA-N 1 0 383.221 2.382 20 0 GEADRO COc1cc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)cnc1Cl ZINC000786127548 653718985 /nfs/dbraw/zinc/71/89/85/653718985.db2.gz WIGZZKSLAJWOAK-UHFFFAOYSA-N 1 0 383.901 2.326 20 0 GEADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cccc(F)c1Br ZINC000881137302 653720976 /nfs/dbraw/zinc/72/09/76/653720976.db2.gz KREWJVXDOSVLHG-JTQLQIEISA-N 1 0 387.253 2.172 20 0 GEADRO CCOC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1Cl ZINC000841499555 653722067 /nfs/dbraw/zinc/72/20/67/653722067.db2.gz ZQGVMSIQYICQFN-QWRGUYRKSA-N 1 0 392.880 2.417 20 0 GEADRO CC[C@H](NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000817917477 653722702 /nfs/dbraw/zinc/72/27/02/653722702.db2.gz OYMJVYAHDXOYEN-GJZGRUSLSA-N 1 0 380.432 2.479 20 0 GEADRO CC(C)[N@H+](C)CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881269253 653723503 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CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818519010 653732303 /nfs/dbraw/zinc/73/23/03/653732303.db2.gz DPFDOKMECLTDSU-HNNXBMFYSA-N 1 0 391.331 2.346 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)[C@@H]1C[NH3+] ZINC000818519457 653732306 /nfs/dbraw/zinc/73/23/06/653732306.db2.gz YMLYHUYHMQDXBJ-IAQYHMDHSA-N 1 0 378.274 2.229 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000818532462 653733025 /nfs/dbraw/zinc/73/30/25/653733025.db2.gz DEJGHXJMRGYRNR-CYBMUJFWSA-N 1 0 387.933 2.324 20 0 GEADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000818563981 653733674 /nfs/dbraw/zinc/73/36/74/653733674.db2.gz DCEKKRAOAARALY-LLVKDONJSA-N 1 0 379.869 2.207 20 0 GEADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000818591500 653734267 /nfs/dbraw/zinc/73/42/67/653734267.db2.gz MZUYCQPIKCZYKJ-CYBMUJFWSA-N 1 0 385.917 2.223 20 0 GEADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000818948097 653738996 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CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]CC[S@](=O)C(C)(C)C)CC1 ZINC000819055979 653741855 /nfs/dbraw/zinc/74/18/55/653741855.db2.gz IOFRBVDFBOOIMS-CJAUYULYSA-N 1 0 376.563 2.275 20 0 GEADRO O=C1OCCN1CCC[NH2+]Cc1ccc(F)cc1I ZINC000841861001 653742185 /nfs/dbraw/zinc/74/21/85/653742185.db2.gz SYABUGMGJXOPQH-UHFFFAOYSA-N 1 0 378.185 2.362 20 0 GEADRO O[C@H](C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000819076481 653742516 /nfs/dbraw/zinc/74/25/16/653742516.db2.gz CWOQLSSGLHXYFX-CRAIPNDOSA-N 1 0 388.339 2.023 20 0 GEADRO C[C@@]1(CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1(Cl)Cl ZINC000841912198 653742637 /nfs/dbraw/zinc/74/26/37/653742637.db2.gz IPFXJTSFBBPJAB-ZBCRRDGASA-N 1 0 377.360 2.476 20 0 GEADRO CCC[NH+]1CCC(CNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000881845963 653742823 /nfs/dbraw/zinc/74/28/23/653742823.db2.gz DAGGSVNTDNFYEB-QHCPKHFHSA-N 1 0 379.592 2.373 20 0 GEADRO COC(=O)c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000841979795 653743166 /nfs/dbraw/zinc/74/31/66/653743166.db2.gz WSWKFQZFCMVEDW-CYBMUJFWSA-N 1 0 384.274 2.177 20 0 GEADRO COC[C@]1(CNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CCC[NH2+]1 ZINC000841996973 653743258 /nfs/dbraw/zinc/74/32/58/653743258.db2.gz METCQNCJNZEREQ-GOEBONIOSA-N 1 0 376.284 2.095 20 0 GEADRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000842009971 653743690 /nfs/dbraw/zinc/74/36/90/653743690.db2.gz GUFUAPVTPKRAOG-FIXISWKDSA-N 1 0 376.284 2.093 20 0 GEADRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccccc3Br)C2=O)n1 ZINC000819114113 653743898 /nfs/dbraw/zinc/74/38/98/653743898.db2.gz VEUCJKKGAOUJBC-HUUCEWRRSA-N 1 0 393.285 2.001 20 0 GEADRO CCOC(=O)c1nc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Br ZINC000881868535 653744956 /nfs/dbraw/zinc/74/49/56/653744956.db2.gz HJRNJTJJPYYJCF-NWDGAFQWSA-N 1 0 384.274 2.296 20 0 GEADRO O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000819172273 653744967 /nfs/dbraw/zinc/74/49/67/653744967.db2.gz BYTMXELLCIWOHW-FGTMMUONSA-N 1 0 383.330 2.450 20 0 GEADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000881870128 653745187 /nfs/dbraw/zinc/74/51/87/653745187.db2.gz XMDUIINXHFKADM-LSDHHAIUSA-N 1 0 398.400 2.002 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000819174739 653745183 /nfs/dbraw/zinc/74/51/83/653745183.db2.gz XOBMHBKEPUDZDJ-GFCCVEGCSA-N 1 0 382.309 2.148 20 0 GEADRO O=C(CC[NH2+]CCS(=O)(=O)CC1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000819172581 653745217 /nfs/dbraw/zinc/74/52/17/653745217.db2.gz CIHMHUYNKBKCLK-UHFFFAOYSA-N 1 0 378.416 2.448 20 0 GEADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)CC1CC1 ZINC000819173914 653745234 /nfs/dbraw/zinc/74/52/34/653745234.db2.gz PTLLARMRYWMYEK-AWEZNQCLSA-N 1 0 380.279 2.036 20 0 GEADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2c(F)cccc2F)c(C)s1 ZINC000819179631 653745388 /nfs/dbraw/zinc/74/53/88/653745388.db2.gz FRBKDMSKYKWZCA-AWEZNQCLSA-N 1 0 390.477 2.245 20 0 GEADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)COc1cccc(I)c1 ZINC000787924510 653746267 /nfs/dbraw/zinc/74/62/67/653746267.db2.gz UNYOHBQCVXJINL-GFCCVEGCSA-N 1 0 388.249 2.271 20 0 GEADRO O[C@H](C[NH2+]C[C@@H]1COC2(CCOCC2)O1)COc1ccc(Cl)cc1Cl ZINC000819215495 653746411 /nfs/dbraw/zinc/74/64/11/653746411.db2.gz IDKKDGHGYSAMFS-ZIAGYGMSSA-N 1 0 392.279 2.245 20 0 GEADRO COC1(C(F)(F)F)CC[NH+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000842159714 653746896 /nfs/dbraw/zinc/74/68/96/653746896.db2.gz AFKUYGUFBIWWTL-UHFFFAOYSA-N 1 0 379.404 2.219 20 0 GEADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819237940 653746945 /nfs/dbraw/zinc/74/69/45/653746945.db2.gz RDEIOLQIRQCATF-FZMZJTMJSA-N 1 0 375.238 2.442 20 0 GEADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCSCc1ccnc(Cl)c1 ZINC000842182160 653747072 /nfs/dbraw/zinc/74/70/72/653747072.db2.gz JIMINCFUIZYRFT-UONOGXRCSA-N 1 0 386.949 2.065 20 0 GEADRO Cc1cc(C[NH2+]C[C@H](O)c2ccccc2Br)ccc1S(N)(=O)=O ZINC000819266093 653747478 /nfs/dbraw/zinc/74/74/78/653747478.db2.gz DNNYKVKHBLVPBF-HNNXBMFYSA-N 1 0 399.310 2.228 20 0 GEADRO CC(=O)N[C@H](C(=O)NCC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000864878152 653747487 /nfs/dbraw/zinc/74/74/87/653747487.db2.gz CZPBGUXYFQTSFO-INIZCTEOSA-N 1 0 382.302 2.228 20 0 GEADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCC1 ZINC000819276793 653747807 /nfs/dbraw/zinc/74/78/07/653747807.db2.gz SLBNCEMIKYBKIB-CYBMUJFWSA-N 1 0 380.279 2.179 20 0 GEADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cn2ccc(Br)cc2=O)C1 ZINC000864888078 653747879 /nfs/dbraw/zinc/74/78/79/653747879.db2.gz UIXVEPJZHMLMTN-GASCZTMLSA-N 1 0 398.345 2.485 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC000819288293 653748163 /nfs/dbraw/zinc/74/81/63/653748163.db2.gz XAQWBICVFSTXML-OAHLLOKOSA-N 1 0 390.839 2.220 20 0 GEADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(Cl)cc1F ZINC000819288291 653748208 /nfs/dbraw/zinc/74/82/08/653748208.db2.gz XAQWBICVFSTXML-HNNXBMFYSA-N 1 0 390.839 2.220 20 0 GEADRO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000864907382 653748273 /nfs/dbraw/zinc/74/82/73/653748273.db2.gz YIBXODKNVLHWIZ-ZACQAIPSSA-N 1 0 394.313 2.369 20 0 GEADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819290066 653748383 /nfs/dbraw/zinc/74/83/83/653748383.db2.gz SZFVZFGNRZINSN-NZVBXONLSA-N 1 0 381.325 2.334 20 0 GEADRO Cc1ccc([C@H](O)C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000819296254 653748434 /nfs/dbraw/zinc/74/84/34/653748434.db2.gz WORHXCZGBUWXMU-MRXNPFEDSA-N 1 0 386.876 2.389 20 0 GEADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819308513 653748826 /nfs/dbraw/zinc/74/88/26/653748826.db2.gz WKYQAMFJVBUBSZ-DOMZBBRYSA-N 1 0 381.325 2.431 20 0 GEADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000819308657 653748894 /nfs/dbraw/zinc/74/88/94/653748894.db2.gz XODGIQXSQGRGQQ-WFASDCNBSA-N 1 0 380.432 2.143 20 0 GEADRO Cn1nc(I)cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000864944358 653749143 /nfs/dbraw/zinc/74/91/43/653749143.db2.gz LZYSZFYAFNPUGH-UHFFFAOYSA-N 1 0 390.269 2.017 20 0 GEADRO C[C@]1(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)OCCc2sccc21 ZINC000819322039 653749230 /nfs/dbraw/zinc/74/92/30/653749230.db2.gz PNXMMKAXEOJJDP-SJLPKXTDSA-N 1 0 381.519 2.263 20 0 GEADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000819313986 653749270 /nfs/dbraw/zinc/74/92/70/653749270.db2.gz NTWWBMFDTMNUDX-FUHWJXTLSA-N 1 0 380.897 2.426 20 0 GEADRO CC(=O)N[C@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000864963793 653749705 /nfs/dbraw/zinc/74/97/05/653749705.db2.gz ZISYTJCEYIDFBW-GUYCJALGSA-N 1 0 394.313 2.227 20 0 GEADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCC1 ZINC000819377811 653749978 /nfs/dbraw/zinc/74/99/78/653749978.db2.gz WIECJYHCEJYABX-AWEZNQCLSA-N 1 0 394.306 2.426 20 0 GEADRO COC(=O)C1(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCC1 ZINC000881934191 653751408 /nfs/dbraw/zinc/75/14/08/653751408.db2.gz PPDJRSKFSZMISU-HIFRSBDPSA-N 1 0 386.539 2.146 20 0 GEADRO CC(=O)N[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1cccc(Br)c1 ZINC000865032996 653751540 /nfs/dbraw/zinc/75/15/40/653751540.db2.gz LFONXNNUCFRLGB-PBHICJAKSA-N 1 0 396.329 2.473 20 0 GEADRO Cn1nc(Br)c2c1ncnc2N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842304656 653751690 /nfs/dbraw/zinc/75/16/90/653751690.db2.gz RPHCOROZESUYHG-VXGBXAGGSA-N 1 0 379.306 2.342 20 0 GEADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000881942705 653751908 /nfs/dbraw/zinc/75/19/08/653751908.db2.gz CJOZUWGWLINFGS-CMJOXMDJSA-N 1 0 379.592 2.468 20 0 GEADRO Cn1nc(I)cc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000865050524 653751937 /nfs/dbraw/zinc/75/19/37/653751937.db2.gz SQYRSCCSGAHEJV-UHFFFAOYSA-N 1 0 398.248 2.233 20 0 GEADRO C[NH+]1CC2(C1)CCN(C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C2 ZINC000788203230 653752066 /nfs/dbraw/zinc/75/20/66/653752066.db2.gz NSVNBCVYQJBFIG-UHFFFAOYSA-N 1 0 377.901 2.051 20 0 GEADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(SC(F)(F)F)o2)C1 ZINC000865118147 653754241 /nfs/dbraw/zinc/75/42/41/653754241.db2.gz VUHMDKYLMLMNOP-JTQLQIEISA-N 1 0 379.404 2.209 20 0 GEADRO CCCN(CC[NH+](C)C)C(=O)c1cnn(C(C)C)c1I ZINC000865175546 653756065 /nfs/dbraw/zinc/75/60/65/653756065.db2.gz HEZCEKCDDZFHIF-UHFFFAOYSA-N 1 0 392.285 2.482 20 0 GEADRO CC(=O)N[C@@H](C(=O)NC[C@H](C)[NH+]1CCCC1)c1cccc(Br)c1 ZINC000865174822 653756110 /nfs/dbraw/zinc/75/61/10/653756110.db2.gz JRXBZAZZBPYQDX-BLLLJJGKSA-N 1 0 382.302 2.227 20 0 GEADRO CC(C)n1ncc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1Br ZINC000865177561 653756309 /nfs/dbraw/zinc/75/63/09/653756309.db2.gz KEGQFOWNBBTSBG-ZDUSSCGKSA-N 1 0 387.322 2.409 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC000882007504 653756910 /nfs/dbraw/zinc/75/69/10/653756910.db2.gz KVXYQGRSWOPCKS-SYQHCUMBSA-N 1 0 385.357 2.084 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c(Cl)cc1Cl ZINC000842482554 653757865 /nfs/dbraw/zinc/75/78/65/653757865.db2.gz AYICOTAZJFIOSZ-GFCCVEGCSA-N 1 0 383.297 2.432 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000842482074 653757931 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653770489 /nfs/dbraw/zinc/77/04/89/653770489.db2.gz USDWCLBXOGTIDW-UTUOFQBUSA-N 1 0 388.452 2.387 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cnn(Cc4ccccc4)c3Br)[C@@H]2C1 ZINC000820273419 653770600 /nfs/dbraw/zinc/77/06/00/653770600.db2.gz UJUCCPRNNOKEOK-GDBMZVCRSA-N 1 0 389.297 2.470 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000842859256 653770839 /nfs/dbraw/zinc/77/08/39/653770839.db2.gz DIJWANFUKZMSAB-NSHDSACASA-N 1 0 395.294 2.489 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c(Cl)cc1Cl ZINC000842868977 653770987 /nfs/dbraw/zinc/77/09/87/653770987.db2.gz BANKUSWHFMSVGZ-GFCCVEGCSA-N 1 0 381.281 2.138 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@H]1CCSC1 ZINC000865654017 653771266 /nfs/dbraw/zinc/77/12/66/653771266.db2.gz FKPAGSLTAABPHT-CHWSQXEVSA-N 1 0 377.963 2.437 20 0 GEADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000842889811 653772075 /nfs/dbraw/zinc/77/20/75/653772075.db2.gz CHMLEBZXRILNDU-NWDGAFQWSA-N 1 0 398.497 2.354 20 0 GEADRO CN(C[C@@H]1C[C@H](F)CN1C(=S)NCCC[NH+](C)C)C(=O)OC(C)(C)C ZINC000789350104 653772137 /nfs/dbraw/zinc/77/21/37/653772137.db2.gz UWBDIMLZMKQXFC-KBPBESRZSA-N 1 0 376.542 2.092 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c(Cl)cc1Cl ZINC000842892643 653772381 /nfs/dbraw/zinc/77/23/81/653772381.db2.gz NFSYVMLUOJNJKH-UHFFFAOYSA-N 1 0 381.281 2.282 20 0 GEADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1cc(Br)cnc1Cl ZINC000842894516 653772499 /nfs/dbraw/zinc/77/24/99/653772499.db2.gz IANBJHJNQOCFCO-JTQLQIEISA-N 1 0 382.711 2.308 20 0 GEADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@](C)(O)c3ccc(F)c(Br)c3)C2)C1 ZINC000820341070 653772805 /nfs/dbraw/zinc/77/28/05/653772805.db2.gz BFRHEZHJJCOUMT-IRXDYDNUSA-N 1 0 385.277 2.350 20 0 GEADRO CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000865718026 653772822 /nfs/dbraw/zinc/77/28/22/653772822.db2.gz RZRHEKOYWULXRD-IAGOWNOFSA-N 1 0 394.313 2.321 20 0 GEADRO O=C1OC[C@]2(C[NH2+]Cc3ccc(Cl)c(Br)c3)COCCN12 ZINC000865770640 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COc1cc(C[NH2+]CC(C)(C)CS(N)(=O)=O)ccc1OCC(F)(F)F ZINC000865813326 653775852 /nfs/dbraw/zinc/77/58/52/653775852.db2.gz PDWBMAGOGJQXGP-UHFFFAOYSA-N 1 0 384.420 2.041 20 0 GEADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[C@H]2CC2(Cl)Cl)CC1=O ZINC000820577572 653777009 /nfs/dbraw/zinc/77/70/09/653777009.db2.gz HEXVJYIURUUWRL-HZSPNIEDSA-N 1 0 377.312 2.446 20 0 GEADRO Cn1cc(I)c(CNc2cc[nH+]cc2C(F)(F)F)n1 ZINC000865860541 653777419 /nfs/dbraw/zinc/77/74/19/653777419.db2.gz WAYWXVAMRQWGNV-UHFFFAOYSA-N 1 0 382.127 2.473 20 0 GEADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000843038234 653777831 /nfs/dbraw/zinc/77/78/31/653777831.db2.gz HZNWTXYWZACUJT-DTWKUNHWSA-N 1 0 383.392 2.236 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000843051309 653778052 /nfs/dbraw/zinc/77/80/52/653778052.db2.gz CVJZBMUCPUXNHD-UHFFFAOYSA-N 1 0 386.265 2.113 20 0 GEADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000843050227 653778068 /nfs/dbraw/zinc/77/80/68/653778068.db2.gz 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GEADRO O=C1COc2cc(-c3nc(CC4CC[NH2+]CC4)no3)c(Br)cc2N1 ZINC000843135944 653780192 /nfs/dbraw/zinc/78/01/92/653780192.db2.gz RASVVTBQWHMGNH-UHFFFAOYSA-N 1 0 393.241 2.372 20 0 GEADRO [NH3+]CCc1noc([C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)n1 ZINC000843130940 653780211 /nfs/dbraw/zinc/78/02/11/653780211.db2.gz CLLGPSMLDSBLOT-NSHDSACASA-N 1 0 397.248 2.492 20 0 GEADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nc(CC[NH3+])no3)ccc2Cl)C1 ZINC000843128512 653780307 /nfs/dbraw/zinc/78/03/07/653780307.db2.gz LVVWLUXMXYDTSL-LLVKDONJSA-N 1 0 384.889 2.312 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1nc(Br)c2ccccn21 ZINC000820716414 653780883 /nfs/dbraw/zinc/78/08/83/653780883.db2.gz WTQMGFOFUBYKKD-UHFFFAOYSA-N 1 0 377.246 2.107 20 0 GEADRO CC(C)c1ncc(Br)c(C(=O)Nc2ccnn2CC[NH+](C)C)n1 ZINC000820714440 653780897 /nfs/dbraw/zinc/78/08/97/653780897.db2.gz AIXAFPUKSLGTOK-UHFFFAOYSA-N 1 0 381.278 2.373 20 0 GEADRO CC[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000820729359 653781291 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GEADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000882491357 653784788 /nfs/dbraw/zinc/78/47/88/653784788.db2.gz GFJKNVLFQMCZEQ-JKSUJKDBSA-N 1 0 394.313 2.151 20 0 GEADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(Br)ccc1Br ZINC000882491373 653784858 /nfs/dbraw/zinc/78/48/58/653784858.db2.gz GUUPKGIQAUTPFV-MRVPVSSYSA-N 1 0 377.080 2.431 20 0 GEADRO Nc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc(Br)n1 ZINC000820856480 653785130 /nfs/dbraw/zinc/78/51/30/653785130.db2.gz YHGHFHGEOPADLH-CQSZACIVSA-N 1 0 397.317 2.143 20 0 GEADRO CC(C)n1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1I ZINC000866074045 653785197 /nfs/dbraw/zinc/78/51/97/653785197.db2.gz XQKRLUXFXWYJGJ-MNOVXSKESA-N 1 0 390.269 2.281 20 0 GEADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2SC(F)(F)F)C1 ZINC000843325127 653785192 /nfs/dbraw/zinc/78/51/92/653785192.db2.gz GKYYHWUDIZOWTA-NSHDSACASA-N 1 0 375.416 2.226 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000843407471 653786285 /nfs/dbraw/zinc/78/62/85/653786285.db2.gz GSBCYFBJQWRWSE-CZUORRHYSA-N 1 0 383.286 2.118 20 0 GEADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1cc(Br)ccc1OC(F)F ZINC000843420503 653786561 /nfs/dbraw/zinc/78/65/61/653786561.db2.gz FWDIBLTXXVWOOU-GFCCVEGCSA-N 1 0 393.228 2.435 20 0 GEADRO Cc1ccc(/C=C\C(=O)N2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000843452361 653787197 /nfs/dbraw/zinc/78/71/97/653787197.db2.gz BSWDPGXZKMWUEV-SREVYHEPSA-N 1 0 380.330 2.477 20 0 GEADRO COc1ncc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cc1Br ZINC000843458691 653787399 /nfs/dbraw/zinc/78/73/99/653787399.db2.gz CRZLNPWGMZRIOZ-UHFFFAOYSA-N 1 0 380.246 2.226 20 0 GEADRO O=C(/C=C\c1ccc(I)o1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000843485819 653788179 /nfs/dbraw/zinc/78/81/79/653788179.db2.gz XSOGTSQENVCROD-FIFYQCSRSA-N 1 0 382.148 2.011 20 0 GEADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843487043 653788274 /nfs/dbraw/zinc/78/82/74/653788274.db2.gz ZAMFMIJUJIRSFK-MNOVXSKESA-N 1 0 378.466 2.206 20 0 GEADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000843506191 653788611 /nfs/dbraw/zinc/78/86/11/653788611.db2.gz YFZNOJCKNIANFU-VXGBXAGGSA-N 1 0 375.922 2.225 20 0 GEADRO [NH3+]CCCCCCNC(=O)COc1cccc(I)c1 ZINC000843512337 653788901 /nfs/dbraw/zinc/78/89/01/653788901.db2.gz ZCLXUZHMGKRTQE-UHFFFAOYSA-N 1 0 376.238 2.305 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2cccc(Br)n2)CCN1c1cc[nH+]cc1 ZINC000882619121 653790906 /nfs/dbraw/zinc/79/09/06/653790906.db2.gz CGHQWSAHARAKFY-LBPRGKRZSA-N 1 0 397.298 2.139 20 0 GEADRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000882618212 653790961 /nfs/dbraw/zinc/79/09/61/653790961.db2.gz LUVWPSCZPDANFY-UHFFFAOYSA-N 1 0 377.576 2.224 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2ncccc2Br)CCN1c1cc[nH+]cc1 ZINC000882619445 653791064 /nfs/dbraw/zinc/79/10/64/653791064.db2.gz LGBVMWGQSIZFOE-LBPRGKRZSA-N 1 0 397.298 2.139 20 0 GEADRO C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CCN1c1cc[nH+]cc1 ZINC000882621015 653791088 /nfs/dbraw/zinc/79/10/88/653791088.db2.gz HCLWIJNVKJAUIT-NSHDSACASA-N 1 0 397.913 2.344 20 0 GEADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000821272701 653793638 /nfs/dbraw/zinc/79/36/38/653793638.db2.gz UYEMYDXDCIXZKU-UHFFFAOYSA-N 1 0 397.317 2.082 20 0 GEADRO C[NH+](C)CCCN(C(=O)c1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000866417207 653794045 /nfs/dbraw/zinc/79/40/45/653794045.db2.gz LEZAMEFVOJWLJS-ZDUSSCGKSA-N 1 0 387.571 2.022 20 0 GEADRO COC(=O)c1cn(CC[NH2+]Cc2nc3ccc(Br)cc3s2)nn1 ZINC000790614260 653794121 /nfs/dbraw/zinc/79/41/21/653794121.db2.gz PDCXMFNKRSALOS-UHFFFAOYSA-N 1 0 396.270 2.227 20 0 GEADRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCO4)C[C@@H]2C1 ZINC000821328255 653794782 /nfs/dbraw/zinc/79/47/82/653794782.db2.gz GIDMNYCNKIGEBF-OKILXGFUSA-N 1 0 381.270 2.130 20 0 GEADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000866434315 653795354 /nfs/dbraw/zinc/79/53/54/653795354.db2.gz LACPATMFFRNHAY-ONGXEEELSA-N 1 0 376.770 2.437 20 0 GEADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000821391368 653797077 /nfs/dbraw/zinc/79/70/77/653797077.db2.gz JUXSPJKDOUVNDX-YPMHNXCESA-N 1 0 382.258 2.200 20 0 GEADRO CC1CC[NH+](CCCCNS(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000866503184 653799404 /nfs/dbraw/zinc/79/94/04/653799404.db2.gz PWAOJVMCSMPEDK-XMMPIXPASA-N 1 0 387.571 2.490 20 0 GEADRO O=C1OC[C@]2(C[NH2+][C@@H]3CCc4c3cc(Br)cc4F)COCCN12 ZINC000866519074 653800204 /nfs/dbraw/zinc/80/02/04/653800204.db2.gz LRBLAGKUMKNLKR-ZBFHGGJFSA-N 1 0 385.233 2.386 20 0 GEADRO O=C1OC[C@@]2(C[NH2+][C@@H]3CCCOc4ccc(Br)cc43)COCCN12 ZINC000866523935 653800556 /nfs/dbraw/zinc/80/05/56/653800556.db2.gz HGTQKHDTIGWVLS-RHSMWYFYSA-N 1 0 397.269 2.474 20 0 GEADRO C[NH+](C)CC1(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000882736385 653801957 /nfs/dbraw/zinc/80/19/57/653801957.db2.gz JPBUQVBHVQQSQM-CQSZACIVSA-N 1 0 380.286 2.160 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)c(Br)c1 ZINC000866571497 653802649 /nfs/dbraw/zinc/80/26/49/653802649.db2.gz YPHYXEMGYOBCPZ-SNVBAGLBSA-N 1 0 379.320 2.423 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000844195960 653802983 /nfs/dbraw/zinc/80/29/83/653802983.db2.gz DYWNOKVEAWNLTC-GBIKHYSHSA-N 1 0 398.248 2.055 20 0 GEADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000844196219 653802992 /nfs/dbraw/zinc/80/29/92/653802992.db2.gz FMAVPBVJQYWEQB-ISTVAULSSA-N 1 0 398.248 2.055 20 0 GEADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844198645 653803301 /nfs/dbraw/zinc/80/33/01/653803301.db2.gz MEALWFMTYQEUCV-CYBMUJFWSA-N 1 0 380.539 2.418 20 0 GEADRO O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCCC[NH2+]C1CC1 ZINC000844200147 653803306 /nfs/dbraw/zinc/80/33/06/653803306.db2.gz LFSXWMUICOGFRE-UHFFFAOYSA-N 1 0 378.523 2.187 20 0 GEADRO [NH3+]CCCCCC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000844201901 653803312 /nfs/dbraw/zinc/80/33/12/653803312.db2.gz CAXKTMHDRGLUGE-UHFFFAOYSA-N 1 0 384.318 2.421 20 0 GEADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C1 ZINC000844306792 653804552 /nfs/dbraw/zinc/80/45/52/653804552.db2.gz LTXSXXXILSSCBZ-HNNXBMFYSA-N 1 0 377.551 2.085 20 0 GEADRO CCC[NH+]1CCC(N(C)S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000866593024 653804884 /nfs/dbraw/zinc/80/48/84/653804884.db2.gz VKLHJPWNPZPBLG-DEOSSOPVSA-N 1 0 391.534 2.333 20 0 GEADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1 ZINC000844373755 653805356 /nfs/dbraw/zinc/80/53/56/653805356.db2.gz PRLKDKUIFPLCIB-CRAIPNDOSA-N 1 0 386.945 2.295 20 0 GEADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1 ZINC000844373756 653805387 /nfs/dbraw/zinc/80/53/87/653805387.db2.gz PRLKDKUIFPLCIB-MAUKXSAKSA-N 1 0 386.945 2.295 20 0 GEADRO Cn1ncc(I)c1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000866629514 653806902 /nfs/dbraw/zinc/80/69/02/653806902.db2.gz HVXNKRPVVZYXBC-WQAKAFBOSA-N 1 0 375.254 2.318 20 0 GEADRO Cc1cc(Br)ncc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000821817800 653808223 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Cn1ncc(I)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000895074082 653815723 /nfs/dbraw/zinc/81/57/23/653815723.db2.gz LUHYARFRETXBDI-YPMHNXCESA-N 1 0 375.254 2.416 20 0 GEADRO C[C@H](C[C@H](C)[NH2+]Cc1nc(Br)nn1C)NC(=O)OC(C)(C)C ZINC000895075438 653815972 /nfs/dbraw/zinc/81/59/72/653815972.db2.gz WSFFBDJGWMWOBM-VHSXEESVSA-N 1 0 376.299 2.359 20 0 GEADRO CC(C)[C@@H]([NH2+]Cc1cn(C)nc1I)C1(CO)CC=CC1 ZINC000895085332 653816702 /nfs/dbraw/zinc/81/67/02/653816702.db2.gz LNNJROFUWUUPPV-CYBMUJFWSA-N 1 0 389.281 2.468 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000866738908 653817481 /nfs/dbraw/zinc/81/74/81/653817481.db2.gz ZYDKEPWJCOADNP-NSHDSACASA-N 1 0 391.331 2.347 20 0 GEADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cc(Cl)cnc1Cl ZINC000866739149 653817485 /nfs/dbraw/zinc/81/74/85/653817485.db2.gz ARCXBRLLVLZDPK-UHFFFAOYSA-N 1 0 394.324 2.312 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000866754132 653819484 /nfs/dbraw/zinc/81/94/84/653819484.db2.gz 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COC(=O)c1cc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)c(Cl)cc1Cl ZINC000866811828 653830932 /nfs/dbraw/zinc/83/09/32/653830932.db2.gz MZOCPCNDWOWTJJ-SECBINFHSA-N 1 0 395.308 2.446 20 0 GEADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866818995 653832237 /nfs/dbraw/zinc/83/22/37/653832237.db2.gz BGRVATUYOPXAFQ-KOLCDFICSA-N 1 0 394.722 2.260 20 0 GEADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC2(CCOC)CC[NH2+]CC2)c1 ZINC000866821410 653832523 /nfs/dbraw/zinc/83/25/23/653832523.db2.gz DJKUEPZSVJQFHB-UHFFFAOYSA-N 1 0 388.917 2.370 20 0 GEADRO COCCC1(NS(=O)(=O)c2csc(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000866821215 653832537 /nfs/dbraw/zinc/83/25/37/653832537.db2.gz VLBSXRGSXUWMDE-UHFFFAOYSA-N 1 0 381.523 2.247 20 0 GEADRO COCCC1(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)CC[NH2+]CC1 ZINC000866821576 653832684 /nfs/dbraw/zinc/83/26/84/653832684.db2.gz LGAUDPWARQSYMY-GFCCVEGCSA-N 1 0 388.917 2.100 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866821837 653832745 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CC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1Br ZINC000866827548 653834090 /nfs/dbraw/zinc/83/40/90/653834090.db2.gz OSEIFPKOVGKHNL-LSDHHAIUSA-N 1 0 387.299 2.167 20 0 GEADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CC[C@@H]1CCCS1(=O)=O)CC(F)(F)F ZINC000883296366 653834259 /nfs/dbraw/zinc/83/42/59/653834259.db2.gz LCWNLBOSRBFYFA-RYUDHWBXSA-N 1 0 388.452 2.389 20 0 GEADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866827944 653834300 /nfs/dbraw/zinc/83/43/00/653834300.db2.gz UBQZKXAPMHQGOP-OLZOCXBDSA-N 1 0 389.315 2.281 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(S(=O)(=O)CC)CC2)C[C@H]1C(F)(F)F ZINC000895441359 653835013 /nfs/dbraw/zinc/83/50/13/653835013.db2.gz USXGAWBNADTKQQ-YNEHKIRRSA-N 1 0 385.448 2.454 20 0 GEADRO Cn1cc(CC[NH2+]Cc2c(I)cnn2C)c2cccnc21 ZINC000895458903 653836175 /nfs/dbraw/zinc/83/61/75/653836175.db2.gz UPXGXNDNXVWJQU-UHFFFAOYSA-N 1 0 395.248 2.244 20 0 GEADRO CCN1CC[C@H]1C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000883358502 653837053 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GEADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)N1CCC3(CCCCC3)CC1)C2 ZINC000883480943 653842400 /nfs/dbraw/zinc/84/24/00/653842400.db2.gz RVDYYWJKLURVOF-UHFFFAOYSA-N 1 0 384.571 2.251 20 0 GEADRO Cc1c(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)c2ccccc2n1C ZINC000883480686 653842437 /nfs/dbraw/zinc/84/24/37/653842437.db2.gz KAFFEYOFJCGYMU-UHFFFAOYSA-N 1 0 376.507 2.149 20 0 GEADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000866882756 653842580 /nfs/dbraw/zinc/84/25/80/653842580.db2.gz XYFKMZHNWXEQCM-BSEYFRJRSA-N 1 0 391.534 2.333 20 0 GEADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000845343995 653844370 /nfs/dbraw/zinc/84/43/70/653844370.db2.gz TWTCPMKNTOSRMP-RBSFLKMASA-N 1 0 395.297 2.295 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000883540924 653845046 /nfs/dbraw/zinc/84/50/46/653845046.db2.gz QZFLUUQZDYAHGH-NWDGAFQWSA-N 1 0 375.382 2.212 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000883540923 653845087 /nfs/dbraw/zinc/84/50/87/653845087.db2.gz QZFLUUQZDYAHGH-NEPJUHHUSA-N 1 0 375.382 2.212 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H](c1nccs1)C(F)(F)F)C2 ZINC000883566892 653845732 /nfs/dbraw/zinc/84/57/32/653845732.db2.gz IUXOZNYUSQQILY-SNVBAGLBSA-N 1 0 377.417 2.430 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000866904257 653846962 /nfs/dbraw/zinc/84/69/62/653846962.db2.gz IBJCWKLMCIANRJ-UONOGXRCSA-N 1 0 387.373 2.333 20 0 GEADRO CC(C)C[C@H](NC(=O)NCC[C@]1(C)C[C@@]1(F)Cl)C(=O)NCC[NH+](C)C ZINC000845408835 653847237 /nfs/dbraw/zinc/84/72/37/653847237.db2.gz RUXUCCYIHZSVJC-XKQJLSEDSA-N 1 0 378.920 2.083 20 0 GEADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000822976721 653848239 /nfs/dbraw/zinc/84/82/39/653848239.db2.gz IVBGOSDXMXOIED-IFIJOSMWSA-N 1 0 378.296 2.373 20 0 GEADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000883627532 653848335 /nfs/dbraw/zinc/84/83/35/653848335.db2.gz GVDRIJAIJJIBMV-UHFFFAOYSA-N 1 0 384.274 2.126 20 0 GEADRO CC[C@@H]1CN(C(=O)C(=O)N(C)Cc2cscc2Br)CC[C@H]1[NH3+] ZINC000883638510 653848710 /nfs/dbraw/zinc/84/87/10/653848710.db2.gz OLINUXBLFVODRM-ZWNOBZJWSA-N 1 0 388.331 2.055 20 0 GEADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000883644941 653849127 /nfs/dbraw/zinc/84/91/27/653849127.db2.gz VYTHFOVGKVDQGC-CQSZACIVSA-N 1 0 382.302 2.008 20 0 GEADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000883639711 653849142 /nfs/dbraw/zinc/84/91/42/653849142.db2.gz WWMLSUBZOXAKRJ-LLVKDONJSA-N 1 0 388.331 2.056 20 0 GEADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(-c3cscn3)cc2)CC1 ZINC000866919941 653849555 /nfs/dbraw/zinc/84/95/55/653849555.db2.gz PBPYNHJAVSECBE-UHFFFAOYSA-N 1 0 381.523 2.156 20 0 GEADRO COCCCN(C(=O)c1csc(Br)n1)C1CC[NH+](C)CC1 ZINC000823028179 653850671 /nfs/dbraw/zinc/85/06/71/653850671.db2.gz AFDQFJWIEQRWDV-UHFFFAOYSA-N 1 0 376.320 2.479 20 0 GEADRO C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1(Br)Br ZINC000823034221 653850969 /nfs/dbraw/zinc/85/09/69/653850969.db2.gz MQQBBTBCNPVTGB-CABZTGNLSA-N 1 0 380.124 2.483 20 0 GEADRO CCO[C@@H]1C[C@@H]([NH2+]CC2(S(=O)(=O)N(C)C)CC2)[C@H]1Sc1ccccc1 ZINC000895810222 653850992 /nfs/dbraw/zinc/85/09/92/653850992.db2.gz JDLYZDHNWYRPGH-BRWVUGGUSA-N 1 0 384.567 2.338 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000895806670 653851089 /nfs/dbraw/zinc/85/10/89/653851089.db2.gz GWYFCDQVGPYPJG-NSHDSACASA-N 1 0 375.254 2.464 20 0 GEADRO CN1CC[C@@H]([NH2+]CCN2CCNC2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000895814588 653851321 /nfs/dbraw/zinc/85/13/21/653851321.db2.gz QAAYSQBXGKGWPQ-HZPDHXFCSA-N 1 0 381.318 2.199 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000883733664 653851877 /nfs/dbraw/zinc/85/18/77/653851877.db2.gz BRKJQVIHJWUVRV-CYBMUJFWSA-N 1 0 391.343 2.086 20 0 GEADRO O=C(NCc1ccc(Br)cn1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883803696 653853822 /nfs/dbraw/zinc/85/38/22/653853822.db2.gz MJGAVZJJJRTLRM-INIZCTEOSA-N 1 0 397.317 2.287 20 0 GEADRO C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2cccn3c(I)cnc23)no1 ZINC000823116629 653854167 /nfs/dbraw/zinc/85/41/67/653854167.db2.gz XNLFNUKGFYFQSK-BDAKNGLRSA-N 1 0 395.204 2.454 20 0 GEADRO COCCS(=O)(=O)CCC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000792932076 653856178 /nfs/dbraw/zinc/85/61/78/653856178.db2.gz CLBDBDGUXVMZBY-OAHLLOKOSA-N 1 0 391.331 2.336 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)nc1Br ZINC000792982960 653859037 /nfs/dbraw/zinc/85/90/37/653859037.db2.gz ZRNZGZWEKMWMSQ-ZDUSSCGKSA-N 1 0 395.301 2.178 20 0 GEADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)n2)C1 ZINC000792997718 653860164 /nfs/dbraw/zinc/86/01/64/653860164.db2.gz PAGVIUFPUPSMLZ-ZDUSSCGKSA-N 1 0 397.317 2.281 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866985746 653860319 /nfs/dbraw/zinc/86/03/19/653860319.db2.gz LGZVJLNOOCFATO-PWSUYJOCSA-N 1 0 386.930 2.450 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCS2(=O)=O)C[C@H]1C(F)(F)F ZINC000896008289 653860646 /nfs/dbraw/zinc/86/06/46/653860646.db2.gz HTPMOIOSRSWFDV-REWJHTLYSA-N 1 0 385.448 2.454 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)C[C@@H]1C(F)(F)F ZINC000896008285 653860729 /nfs/dbraw/zinc/86/07/29/653860729.db2.gz HTPMOIOSRSWFDV-FQUUOJAGSA-N 1 0 385.448 2.454 20 0 GEADRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884023925 653860749 /nfs/dbraw/zinc/86/07/49/653860749.db2.gz BZZRLQRCQSUQRG-SECBINFHSA-N 1 0 384.665 2.165 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc1Br ZINC000793001870 653860782 /nfs/dbraw/zinc/86/07/82/653860782.db2.gz PVHLNHKPIVXSEB-VXGBXAGGSA-N 1 0 383.290 2.080 20 0 GEADRO Cc1cc([C@@H]([NH3+])Cc2nc(-c3ccc(S(C)(=O)=O)o3)no2)cc(Cl)n1 ZINC000823296255 653861657 /nfs/dbraw/zinc/86/16/57/653861657.db2.gz SANUPJHHWFJKOX-JTQLQIEISA-N 1 0 382.829 2.332 20 0 GEADRO Cc1sc2ncnc(SCCc3nc(N4CC[NH2+]CC4)no3)c2c1C ZINC000823316503 653862215 /nfs/dbraw/zinc/86/22/15/653862215.db2.gz XKUBSJWGJRDQJO-UHFFFAOYSA-N 1 0 376.511 2.436 20 0 GEADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866995201 653862261 /nfs/dbraw/zinc/86/22/61/653862261.db2.gz AFPVNLQXALPPMG-JHJVBQTASA-N 1 0 394.324 2.261 20 0 GEADRO CNC(=O)C1([NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CCOCC1 ZINC000896068402 653862861 /nfs/dbraw/zinc/86/28/61/653862861.db2.gz LRNQLHBBAFIXTH-UHFFFAOYSA-N 1 0 384.249 2.454 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000884094301 653863079 /nfs/dbraw/zinc/86/30/79/653863079.db2.gz HMAXICXWSPJSMF-DLBZAZTESA-N 1 0 380.897 2.308 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000884094894 653863218 /nfs/dbraw/zinc/86/32/18/653863218.db2.gz XPMRYEIYLQVYSN-DZGCQCFKSA-N 1 0 386.926 2.369 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)nc1Br ZINC000793038201 653863753 /nfs/dbraw/zinc/86/37/53/653863753.db2.gz CMJDTZUOXWWWEF-CYBMUJFWSA-N 1 0 395.301 2.178 20 0 GEADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)nc1Br ZINC000793039446 653863852 /nfs/dbraw/zinc/86/38/52/653863852.db2.gz MHZFFKMYAXITHU-GFCCVEGCSA-N 1 0 397.317 2.280 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)N[C@@H]3[C@H]4Cc5cc(Br)ccc5[C@@H]34)C[C@H]2C1 ZINC000896104034 653864836 /nfs/dbraw/zinc/86/48/36/653864836.db2.gz XHITUYLMYHWBHA-NCZBFZFDSA-N 1 0 376.298 2.290 20 0 GEADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000884122423 653864974 /nfs/dbraw/zinc/86/49/74/653864974.db2.gz QGIXWBWRUHMQHM-UONOGXRCSA-N 1 0 378.416 2.131 20 0 GEADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cn(C)nc2Br)CC1 ZINC000896111184 653865188 /nfs/dbraw/zinc/86/51/88/653865188.db2.gz IWQWTVZSNCHFBN-UHFFFAOYSA-N 1 0 381.278 2.288 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884132454 653865327 /nfs/dbraw/zinc/86/53/27/653865327.db2.gz QAFFWYXYSGUDMR-CQSZACIVSA-N 1 0 396.329 2.159 20 0 GEADRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884143885 653865588 /nfs/dbraw/zinc/86/55/88/653865588.db2.gz UQAXNOGOGZQMBJ-JKSUJKDBSA-N 1 0 380.535 2.219 20 0 GEADRO CN(C)C(=O)C1(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CCCC1 ZINC000884138253 653865702 /nfs/dbraw/zinc/86/57/02/653865702.db2.gz IQXBECCJJKSXGQ-AWEZNQCLSA-N 1 0 382.302 2.214 20 0 GEADRO C[N@H+](CCCO)C1CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000867013333 653865865 /nfs/dbraw/zinc/86/58/65/653865865.db2.gz UNKRVZYONQLICO-UHFFFAOYSA-N 1 0 396.738 2.478 20 0 GEADRO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]([NH3+])c1ccc(Br)cc1)CC2 ZINC000884152676 653866028 /nfs/dbraw/zinc/86/60/28/653866028.db2.gz QXPDVESTSORTEY-BZUAXINKSA-N 1 0 397.313 2.227 20 0 GEADRO [NH3+][C@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1 ZINC000884162484 653866350 /nfs/dbraw/zinc/86/63/50/653866350.db2.gz GMGQOCKPQDELBZ-CVEARBPZSA-N 1 0 394.313 2.356 20 0 GEADRO CO[C@H](C)c1noc(CN(C)C(=O)[C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884170468 653866792 /nfs/dbraw/zinc/86/67/92/653866792.db2.gz XUDSGGXOYCMATF-NOZJJQNGSA-N 1 0 383.246 2.198 20 0 GEADRO [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000884193851 653867473 /nfs/dbraw/zinc/86/74/73/653867473.db2.gz RBBJFYJSIOIFSC-GXTWGEPZSA-N 1 0 395.301 2.149 20 0 GEADRO Cc1[nH]nc(I)c1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000896182265 653868003 /nfs/dbraw/zinc/86/80/03/653868003.db2.gz QJLDFLFDAKYJOP-LLVKDONJSA-N 1 0 388.253 2.023 20 0 GEADRO C[C@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H]1CC1(F)F ZINC000896202000 653868533 /nfs/dbraw/zinc/86/85/33/653868533.db2.gz CLZRBQIUAJIYFI-RWMBFGLXSA-N 1 0 382.473 2.044 20 0 GEADRO CS[C@H]1CN(C(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1[NH+](C)C ZINC000845893129 653868618 /nfs/dbraw/zinc/86/86/18/653868618.db2.gz OZVWSSFSDNNEOG-NEPJUHHUSA-N 1 0 381.489 2.041 20 0 GEADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884254084 653869724 /nfs/dbraw/zinc/86/97/24/653869724.db2.gz DSVGFRBXMRJFTP-ONGXEEELSA-N 1 0 398.692 2.411 20 0 GEADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000884288084 653870623 /nfs/dbraw/zinc/87/06/23/653870623.db2.gz VBSUXSUVCANNHF-YJBOKZPZSA-N 1 0 393.281 2.133 20 0 GEADRO C[C@@H]1CN(CCN(C)C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000884312483 653871465 /nfs/dbraw/zinc/87/14/65/653871465.db2.gz GPQIVHSDJGVPBR-DVOMOZLQSA-N 1 0 384.318 2.017 20 0 GEADRO [NH3+][C@H](C(=O)N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000884329088 653872794 /nfs/dbraw/zinc/87/27/94/653872794.db2.gz GAYBXPLXFXRLSD-ULQDDVLXSA-N 1 0 393.281 2.050 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)nc2n1CCC2)Cc1ccccc1 ZINC000823596345 653873596 /nfs/dbraw/zinc/87/35/96/653873596.db2.gz LLFMEOLUDOEGCG-CQSZACIVSA-N 1 0 391.313 2.495 20 0 GEADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000884355072 653874135 /nfs/dbraw/zinc/87/41/35/653874135.db2.gz FQECYEGWXAZKLM-GHMZBOCLSA-N 1 0 380.176 2.425 20 0 GEADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000884364335 653874149 /nfs/dbraw/zinc/87/41/49/653874149.db2.gz QEQFIYHKEJFHSI-KFWWJZLASA-N 1 0 394.313 2.182 20 0 GEADRO Cc1ccc(F)c(Br)c1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000884371312 653874434 /nfs/dbraw/zinc/87/44/34/653874434.db2.gz LANXMDYIHKLYJO-WCQYABFASA-N 1 0 381.249 2.197 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)NCc2nn(C)cc2Br)CC1 ZINC000884391680 653875119 /nfs/dbraw/zinc/87/51/19/653875119.db2.gz HONSWCRBFHGNRX-UHFFFAOYSA-N 1 0 384.322 2.343 20 0 GEADRO O=C(c1nn2c(c1Br)CCC2)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000884395970 653875453 /nfs/dbraw/zinc/87/54/53/653875453.db2.gz PUMPWJJSEAEATM-ZDUSSCGKSA-N 1 0 381.318 2.444 20 0 GEADRO Cn1ncc(Br)c1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000884404581 653875802 /nfs/dbraw/zinc/87/58/02/653875802.db2.gz QIFQZEATFVFHDP-UKRRQHHQSA-N 1 0 395.276 2.126 20 0 GEADRO CN1C(=O)NCC12CC[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)CC2 ZINC000823656187 653876045 /nfs/dbraw/zinc/87/60/45/653876045.db2.gz YJMVXMBNRJSVKZ-CYBMUJFWSA-N 1 0 388.295 2.223 20 0 GEADRO CC(C)(C)N1C[C@H](CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1=O ZINC000884414310 653876103 /nfs/dbraw/zinc/87/61/03/653876103.db2.gz OUHBIINOYJIVGE-XHDPSFHLSA-N 1 0 382.302 2.212 20 0 GEADRO [NH3+]Cc1ccc2c(c1)N(C(=O)c1nn3c(c1Br)CCC3)CCO2 ZINC000884449192 653877272 /nfs/dbraw/zinc/87/72/72/653877272.db2.gz YFIDOAYRNNZPRP-UHFFFAOYSA-N 1 0 377.242 2.090 20 0 GEADRO C[C@@]1([C@H]2CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)COC(=O)N1 ZINC000896394684 653877543 /nfs/dbraw/zinc/87/75/43/653877543.db2.gz OJKINJRHTOCIMQ-LRDDRELGSA-N 1 0 394.273 2.202 20 0 GEADRO [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884461176 653877542 /nfs/dbraw/zinc/87/75/42/653877542.db2.gz WTNYWKHHYDSATD-KDJCLPLCSA-N 1 0 379.254 2.013 20 0 GEADRO NS(=O)(=O)C[C@H]1CCN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)C1 ZINC000896397264 653877616 /nfs/dbraw/zinc/87/76/16/653877616.db2.gz DIINGACGDHVPCO-JTQLQIEISA-N 1 0 375.372 2.248 20 0 GEADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)CC(C)C ZINC000823737122 653878217 /nfs/dbraw/zinc/87/82/17/653878217.db2.gz SHASMNFXVDZTGF-WFASDCNBSA-N 1 0 387.318 2.459 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000823824939 653880496 /nfs/dbraw/zinc/88/04/96/653880496.db2.gz CYTKGFIIFJNWSP-AEFFLSMTSA-N 1 0 386.945 2.303 20 0 GEADRO CN(CCC[NH+](C)C)CCNc1nc2ccc(Br)cc2c(=O)[nH]1 ZINC000884554865 653880731 /nfs/dbraw/zinc/88/07/31/653880731.db2.gz DRZJNKDIURJPGD-UHFFFAOYSA-N 1 0 382.306 2.393 20 0 GEADRO C[NH+](C)CCCN(C(=O)[C@H](F)CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000793621116 653881374 /nfs/dbraw/zinc/88/13/74/653881374.db2.gz IKFHSIKBAYHEHT-IAGOWNOFSA-N 1 0 376.538 2.262 20 0 GEADRO C[C@@H](CNC(=O)C(=O)NCc1sccc1Br)[NH+]1CCCCC1 ZINC000793699153 653882778 /nfs/dbraw/zinc/88/27/78/653882778.db2.gz MSMPMBQIGFMOIC-NSHDSACASA-N 1 0 388.331 2.117 20 0 GEADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)[NH+]1CCCCC1 ZINC000793711769 653883474 /nfs/dbraw/zinc/88/34/74/653883474.db2.gz XRDOTJLUPLFKFU-OLZOCXBDSA-N 1 0 397.317 2.012 20 0 GEADRO C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@H]1C[N@H+](C)CCN1C ZINC000896541528 653883547 /nfs/dbraw/zinc/88/35/47/653883547.db2.gz KNKXHMZIYFDEAX-IINYFYTJSA-N 1 0 390.272 2.020 20 0 GEADRO CC[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)c1cc(F)cc(Br)c1 ZINC000884660462 653883594 /nfs/dbraw/zinc/88/35/94/653883594.db2.gz TXCQILXSARMVBH-FZZIBODNSA-N 1 0 386.265 2.104 20 0 GEADRO CC(C)([NH3+])CCNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000884662226 653883596 /nfs/dbraw/zinc/88/35/96/653883596.db2.gz KSNLIAZEHPJLMM-UHFFFAOYSA-N 1 0 398.237 2.455 20 0 GEADRO Cc1ccc(Br)c2[nH]c(C(=O)N3CC(N4CC[C@@H](O)C4)C3)cc21 ZINC000824013487 653883671 /nfs/dbraw/zinc/88/36/71/653883671.db2.gz CSXKDHGGNLGRBI-GFCCVEGCSA-N 1 0 378.270 2.130 20 0 GEADRO O=C(NCc1ccc2ccc(Br)cc2c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884674276 653883802 /nfs/dbraw/zinc/88/38/02/653883802.db2.gz RJEHLYDVENBEDA-INIZCTEOSA-N 1 0 390.281 2.087 20 0 GEADRO COc1cc(C)c(Br)cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896543733 653884090 /nfs/dbraw/zinc/88/40/90/653884090.db2.gz XYHOFDKFYHBASL-WFASDCNBSA-N 1 0 384.318 2.130 20 0 GEADRO C[N@@H+]1CC[C@@]2(CCN(Cn3nc(Br)c(=O)c4ccccc43)C2)C1 ZINC000793763135 653884447 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[NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3c(Cl)ccnc3Cl)C2)C1 ZINC000846232539 653892446 /nfs/dbraw/zinc/89/24/46/653892446.db2.gz WJCJNUAQEOATAC-NQBHXWOUSA-N 1 0 394.324 2.295 20 0 GEADRO O=C(NCCC[C@H]1CC1(Cl)Cl)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000846324332 653895668 /nfs/dbraw/zinc/89/56/68/653895668.db2.gz UYSKPAMQCOPRAP-LBPRGKRZSA-N 1 0 386.279 2.197 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000867217852 653896453 /nfs/dbraw/zinc/89/64/53/653896453.db2.gz KQYBVMZORBTYOC-CQSZACIVSA-N 1 0 394.324 2.126 20 0 GEADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000867217851 653896488 /nfs/dbraw/zinc/89/64/88/653896488.db2.gz KQYBVMZORBTYOC-AWEZNQCLSA-N 1 0 394.324 2.126 20 0 GEADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)c(Br)c1 ZINC000884951418 653897290 /nfs/dbraw/zinc/89/72/90/653897290.db2.gz CZYHDMGFHVWPIN-MNOVXSKESA-N 1 0 377.279 2.493 20 0 GEADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)ccc1Br ZINC000884951465 653897299 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C[NH+]1CCC(CCO)(NC(=O)c2nc(Br)sc2Cl)CC1 ZINC000867251930 653903037 /nfs/dbraw/zinc/90/30/37/653903037.db2.gz XXAFCAHICNEAJZ-UHFFFAOYSA-N 1 0 382.711 2.136 20 0 GEADRO CCN(C(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000884976977 653902490 /nfs/dbraw/zinc/90/24/90/653902490.db2.gz GAASOEJTQVIQMD-LLVKDONJSA-N 1 0 377.794 2.185 20 0 GEADRO Cc1ccc(Br)c(F)c1C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000897045559 653905045 /nfs/dbraw/zinc/90/50/45/653905045.db2.gz JPBOBFDLOQERMF-LBPRGKRZSA-N 1 0 385.277 2.360 20 0 GEADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cn(C)nc1Br ZINC000867263805 653905151 /nfs/dbraw/zinc/90/51/51/653905151.db2.gz ULCSDBRELWJKRL-UHFFFAOYSA-N 1 0 393.351 2.069 20 0 GEADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)[nH]c1=O ZINC000824691568 653905223 /nfs/dbraw/zinc/90/52/23/653905223.db2.gz IVFRBYNELHMGJI-UHFFFAOYSA-N 1 0 398.301 2.171 20 0 GEADRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccns2)CCOCC1)c1ccccc1 ZINC000885011165 653905749 /nfs/dbraw/zinc/90/57/49/653905749.db2.gz DWXRKSKODPDHBO-AWEZNQCLSA-N 1 0 381.523 2.321 20 0 GEADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C)cnc2Cl)[C@H](C)C1 ZINC000885014157 653906196 /nfs/dbraw/zinc/90/61/96/653906196.db2.gz AWVAEIBEBZVUNT-CABCVRRESA-N 1 0 389.949 2.459 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885015366 653906215 /nfs/dbraw/zinc/90/62/15/653906215.db2.gz YTAJWEBFRYQEGL-YOWGUQMCSA-N 1 0 394.313 2.054 20 0 GEADRO [NH3+]CC1(CCNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000846691644 653906235 /nfs/dbraw/zinc/90/62/35/653906235.db2.gz IWRCYFFECPQBEY-UHFFFAOYSA-N 1 0 378.523 2.174 20 0 GEADRO CCO[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2Br)C[C@H]1C[NH3+] ZINC000846696049 653906528 /nfs/dbraw/zinc/90/65/28/653906528.db2.gz PJGCUNXXTKDKJI-BXUZGUMPSA-N 1 0 375.694 2.467 20 0 GEADRO C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@H]1CC[NH3+] ZINC000846696165 653906555 /nfs/dbraw/zinc/90/65/55/653906555.db2.gz XUGKLSJKKMYCTH-WBMJQRKESA-N 1 0 387.933 2.180 20 0 GEADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(N)nc(Br)c1 ZINC000824753736 653907435 /nfs/dbraw/zinc/90/74/35/653907435.db2.gz MKLPCFDXIDHCHZ-ZDUSSCGKSA-N 1 0 397.317 2.142 20 0 GEADRO CC1CC[NH+](CCCCNC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846720363 653907605 /nfs/dbraw/zinc/90/76/05/653907605.db2.gz FXBJTHGTAMGNQP-ROUUACIJSA-N 1 0 375.916 2.436 20 0 GEADRO COc1cc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc(OC)c1OCC(N)=O ZINC000824766638 653907891 /nfs/dbraw/zinc/90/78/91/653907891.db2.gz WHGZZHLVTSWZFS-OAHLLOKOSA-N 1 0 377.268 2.241 20 0 GEADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)C1 ZINC000846736181 653908302 /nfs/dbraw/zinc/90/83/02/653908302.db2.gz HSVDDDSOPLEONQ-ZTFGCOKTSA-N 1 0 375.916 2.292 20 0 GEADRO Cc1cnc(Cl)c(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000885042283 653908423 /nfs/dbraw/zinc/90/84/23/653908423.db2.gz LIOSYBRRXREXRK-UHFFFAOYSA-N 1 0 375.922 2.165 20 0 GEADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000846743481 653908576 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GEADRO Cc1[nH]nc(I)c1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000900693690 654076832 /nfs/dbraw/zinc/07/68/32/654076832.db2.gz ADMJIOCGCUMELS-UHFFFAOYSA-N 1 0 390.269 2.127 20 0 GEADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000850441244 654077011 /nfs/dbraw/zinc/07/70/11/654077011.db2.gz SIYMKTJYELDHDE-NSHDSACASA-N 1 0 388.452 2.258 20 0 GEADRO C/C=C\[C@H](O)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000900756362 654079322 /nfs/dbraw/zinc/07/93/22/654079322.db2.gz DHOHJKPSLQUZRL-KYVUIXNKSA-N 1 0 397.313 2.346 20 0 GEADRO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)C1 ZINC000850492908 654079473 /nfs/dbraw/zinc/07/94/73/654079473.db2.gz GYKLSKQSSWUJKH-PWECECGKSA-N 1 0 378.416 2.298 20 0 GEADRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850496840 654079489 /nfs/dbraw/zinc/07/94/89/654079489.db2.gz QMYVYMGKHZOHDY-IVCQMTBJSA-N 1 0 378.460 2.269 20 0 GEADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)nc1Br ZINC000850505383 654080153 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GEADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(Br)ncc1Br ZINC000869256351 654081600 /nfs/dbraw/zinc/08/16/00/654081600.db2.gz VASWKYDDDFRMPL-UHFFFAOYSA-N 1 0 377.080 2.240 20 0 GEADRO C[C@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[C@H]1C[N@H+](C)CCN1C ZINC000900809897 654082158 /nfs/dbraw/zinc/08/21/58/654082158.db2.gz FIQUJIYUBWGZGY-GXFFZTMASA-N 1 0 378.826 2.047 20 0 GEADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)[nH]nc2I)[C@H](C)C1 ZINC000900816041 654082480 /nfs/dbraw/zinc/08/24/80/654082480.db2.gz BGHUVQDWRHKBLK-MWLCHTKSSA-N 1 0 390.269 2.125 20 0 GEADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000850549888 654082803 /nfs/dbraw/zinc/08/28/03/654082803.db2.gz KIPARPILTAXWCP-LLVKDONJSA-N 1 0 383.290 2.080 20 0 GEADRO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000869284593 654083755 /nfs/dbraw/zinc/08/37/55/654083755.db2.gz HDUOXYLXURBVFP-JKSUJKDBSA-N 1 0 382.302 2.227 20 0 GEADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cccc4scnc43)CC2)C1 ZINC000850588435 654083971 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Cn1c(Cl)cnc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000799342162 654093128 /nfs/dbraw/zinc/09/31/28/654093128.db2.gz LFPODFKYIVJSHR-UHFFFAOYSA-N 1 0 377.297 2.185 20 0 GEADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCc2cc(Cl)cc(Br)c2C1 ZINC000888623900 654096442 /nfs/dbraw/zinc/09/64/42/654096442.db2.gz JORNWEQFLPDVTM-BLLLJJGKSA-N 1 0 387.705 2.442 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)C[C@@H]2C1 ZINC000916663335 654104221 /nfs/dbraw/zinc/10/42/21/654104221.db2.gz BDDNYSDPBLPGEQ-MNOVXSKESA-N 1 0 377.279 2.160 20 0 GEADRO O=C(NCCn1cc(Br)cn1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850763720 654105079 /nfs/dbraw/zinc/10/50/79/654105079.db2.gz DVWSITWDKQZBIF-OAHLLOKOSA-N 1 0 394.273 2.128 20 0 GEADRO C[NH+]1CCC(OCC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000830229241 654107252 /nfs/dbraw/zinc/10/72/52/654107252.db2.gz VWCZXGNEPSOMCU-HNNXBMFYSA-N 1 0 397.317 2.404 20 0 GEADRO CN(C(=O)C(=O)Nc1ccc(F)c(Br)c1F)C1CCC([NH3+])CC1 ZINC000850823859 654107994 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Cc1c(Br)cccc1CCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000917224787 654116644 /nfs/dbraw/zinc/11/66/44/654116644.db2.gz VRFPWORZYSOLHU-CQSZACIVSA-N 1 0 397.361 2.235 20 0 GEADRO CN1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC[N@H+](C)CC1 ZINC000888980998 654118005 /nfs/dbraw/zinc/11/80/05/654118005.db2.gz XMEPXHYPWPQFMM-HNNXBMFYSA-N 1 0 396.329 2.021 20 0 GEADRO Cc1nc(CC(F)(F)F)sc1CC(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000901345638 654121182 /nfs/dbraw/zinc/12/11/82/654121182.db2.gz CPDIEFDGPXOIKK-UHFFFAOYSA-N 1 0 379.448 2.062 20 0 GEADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000799940452 654121813 /nfs/dbraw/zinc/12/18/13/654121813.db2.gz WYNJAQCZKNRNPZ-LRDDRELGSA-N 1 0 382.302 2.266 20 0 GEADRO C[C@H]1C[C@@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000799943894 654121984 /nfs/dbraw/zinc/12/19/84/654121984.db2.gz MLDQECXRBALWFC-PEYYIBSZSA-N 1 0 382.302 2.407 20 0 GEADRO CO[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1Br ZINC000869776342 654122031 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CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000917543999 654127582 /nfs/dbraw/zinc/12/75/82/654127582.db2.gz AHIAVFKGSJEPHH-UHFFFAOYSA-N 1 0 378.897 2.134 20 0 GEADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2N1 ZINC000917653231 654129798 /nfs/dbraw/zinc/12/97/98/654129798.db2.gz IFOOPKHRMUXTHO-OLZOCXBDSA-N 1 0 383.901 2.130 20 0 GEADRO Cn1nc(C(F)(F)F)c(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1Cl ZINC000889205025 654130816 /nfs/dbraw/zinc/13/08/16/654130816.db2.gz ADNMWEIRVITOOR-SECBINFHSA-N 1 0 383.802 2.061 20 0 GEADRO C[C@@H]1CN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C[C@H](C)N1CCO ZINC000889206668 654131276 /nfs/dbraw/zinc/13/12/76/654131276.db2.gz FXLNHNDFAILVNX-DTORHVGOSA-N 1 0 383.802 2.011 20 0 GEADRO CN(C)[C@@H](CC[NH2+][C@H](C(N)=O)c1cccc(Br)c1)C(F)(F)F ZINC000901591180 654132859 /nfs/dbraw/zinc/13/28/59/654132859.db2.gz YKEZHXFKQNUASS-RYUDHWBXSA-N 1 0 382.224 2.448 20 0 GEADRO CS(=O)(=O)c1cc(C(=O)OCCC[NH+]2CCCC2)ccc1Br ZINC000800155880 654133037 /nfs/dbraw/zinc/13/30/37/654133037.db2.gz ZJUGPRNHFSAWDO-UHFFFAOYSA-N 1 0 390.299 2.495 20 0 GEADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1 ZINC000917898888 654137601 /nfs/dbraw/zinc/13/76/01/654137601.db2.gz PJSQYYUZOWREJK-UHFFFAOYSA-N 1 0 385.961 2.331 20 0 GEADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3cc4cc(Cl)ccc4s3)C2)CC1 ZINC000917898532 654137667 /nfs/dbraw/zinc/13/76/67/654137667.db2.gz KSVLPRIWOPCVPS-UHFFFAOYSA-N 1 0 399.969 2.423 20 0 GEADRO Cc1ccc(Cl)c(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1Cl ZINC000917902985 654138097 /nfs/dbraw/zinc/13/80/97/654138097.db2.gz GMUVAAJRMOWACN-UHFFFAOYSA-N 1 0 392.352 2.170 20 0 GEADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901730984 654144399 /nfs/dbraw/zinc/14/43/99/654144399.db2.gz ZBTXSOSCJADANJ-OLZOCXBDSA-N 1 0 397.704 2.300 20 0 GEADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C[C@H](O)C[NH+]1CCCC1 ZINC000800451842 654145639 /nfs/dbraw/zinc/14/56/39/654145639.db2.gz MQUNDYZMGZOOPO-QGZVFWFLSA-N 1 0 388.339 2.388 20 0 GEADRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000918395617 654150836 /nfs/dbraw/zinc/15/08/36/654150836.db2.gz RFTAPXFJFVMXKE-ZDUSSCGKSA-N 1 0 387.933 2.241 20 0 GEADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cn(-c2ccccc2Br)nn1 ZINC000918580416 654154966 /nfs/dbraw/zinc/15/49/66/654154966.db2.gz FIVQUVIDFVAXDL-BBRMVZONSA-N 1 0 390.285 2.386 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000870251935 654154945 /nfs/dbraw/zinc/15/49/45/654154945.db2.gz FJZLXMAUSHDXRH-UHFFFAOYSA-N 1 0 385.917 2.078 20 0 GEADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1c[nH]c(=S)[nH]1 ZINC000800690878 654155609 /nfs/dbraw/zinc/15/56/09/654155609.db2.gz RXIKKAWEROIDMP-UHFFFAOYSA-N 1 0 379.917 2.294 20 0 GEADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000800695916 654155720 /nfs/dbraw/zinc/15/57/20/654155720.db2.gz POWPXRXEGLCQRC-IRXDYDNUSA-N 1 0 399.329 2.392 20 0 GEADRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1 ZINC000870259397 654155831 /nfs/dbraw/zinc/15/58/31/654155831.db2.gz QLLULIBKBAHHEZ-UHFFFAOYSA-N 1 0 385.917 2.229 20 0 GEADRO Cn1ncc(I)c1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000831078941 654161356 /nfs/dbraw/zinc/16/13/56/654161356.db2.gz JJOGJUNCSSNZHM-UHFFFAOYSA-N 1 0 398.248 2.016 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000800899986 654164311 /nfs/dbraw/zinc/16/43/11/654164311.db2.gz GDBGYICDUUCTEW-UHFFFAOYSA-N 1 0 391.313 2.320 20 0 GEADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)NC1(c2ncc(Br)cn2)CCC1 ZINC000918880720 654164751 /nfs/dbraw/zinc/16/47/51/654164751.db2.gz FIKHFPNDJXNDNN-GFCCVEGCSA-N 1 0 380.290 2.154 20 0 GEADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000918948281 654166348 /nfs/dbraw/zinc/16/63/48/654166348.db2.gz ZJBUYVCUQZYLFI-OAHLLOKOSA-N 1 0 381.325 2.212 20 0 GEADRO C[C@@]1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1(Br)Br ZINC000851635137 654166811 /nfs/dbraw/zinc/16/68/11/654166811.db2.gz IYANMEZVZFFSND-NWDGAFQWSA-N 1 0 380.124 2.485 20 0 GEADRO COCC1(CNC(=O)[C@]2(C)CC2(Br)Br)CC[NH2+]CC1 ZINC000851637475 654167116 /nfs/dbraw/zinc/16/71/16/654167116.db2.gz XLHJVXBSBGDSDA-NSHDSACASA-N 1 0 398.139 2.015 20 0 GEADRO Nc1c(Cl)c(F)cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1Cl ZINC000889750842 654167183 /nfs/dbraw/zinc/16/71/83/654167183.db2.gz QLXPDXDLEAFPDT-VXGBXAGGSA-N 1 0 376.259 2.386 20 0 GEADRO CO[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)c1ccccc1Br ZINC000889748914 654167395 /nfs/dbraw/zinc/16/73/95/654167395.db2.gz INACXACRCICKMA-ZACQAIPSSA-N 1 0 397.313 2.194 20 0 GEADRO C[C@]1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1(Br)Br ZINC000851639950 654167558 /nfs/dbraw/zinc/16/75/58/654167558.db2.gz VYGRYDPUKIFTAX-IYSWYEEDSA-N 1 0 382.018 2.278 20 0 GEADRO C[C@@H]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)[C@H](C[NH3+])C1 ZINC000851646980 654167564 /nfs/dbraw/zinc/16/75/64/654167564.db2.gz WGXKIIXNYDFYLY-NEPJUHHUSA-N 1 0 378.274 2.229 20 0 GEADRO C[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1(Br)Br ZINC000851639944 654167571 /nfs/dbraw/zinc/16/75/71/654167571.db2.gz VYGRYDPUKIFTAX-FSPLSTOPSA-N 1 0 382.018 2.278 20 0 GEADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851649374 654167612 /nfs/dbraw/zinc/16/76/12/654167612.db2.gz WYCUBJIWLNDDEU-VXGBXAGGSA-N 1 0 383.217 2.375 20 0 GEADRO O=C(NCCn1cc(Br)cn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000851660570 654168169 /nfs/dbraw/zinc/16/81/69/654168169.db2.gz SNFRMXFSVJVICG-CQSZACIVSA-N 1 0 384.322 2.067 20 0 GEADRO O=C(Cc1ccc(F)cc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755041 654168395 /nfs/dbraw/zinc/16/83/95/654168395.db2.gz CVXPKJILYIQETL-HZPDHXFCSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCn2ncc(Br)c2C1 ZINC000851668483 654168675 /nfs/dbraw/zinc/16/86/75/654168675.db2.gz UBDUMHYLGHAKDC-HNNXBMFYSA-N 1 0 390.285 2.058 20 0 GEADRO O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889757132 654169037 /nfs/dbraw/zinc/16/90/37/654169037.db2.gz RIBVCUUUQHFXEO-CHWSQXEVSA-N 1 0 380.901 2.463 20 0 GEADRO [NH3+]C[C@H]1CCCN(C(=O)NCCc2ccc(I)cc2)C1 ZINC000851676607 654169168 /nfs/dbraw/zinc/16/91/68/654169168.db2.gz LPOXLXHKHZWTGJ-CYBMUJFWSA-N 1 0 387.265 2.214 20 0 GEADRO O=C(Cc1cc(F)ccc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761454 654169294 /nfs/dbraw/zinc/16/92/94/654169294.db2.gz GFNFCRHWGHPLHX-HOTGVXAUSA-N 1 0 385.277 2.188 20 0 GEADRO O=C(c1c(F)cc(Br)cc1F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889761771 654170018 /nfs/dbraw/zinc/17/00/18/654170018.db2.gz HNCOWQNSWLSWIX-UONOGXRCSA-N 1 0 389.240 2.399 20 0 GEADRO O=C(c1c(F)cc(Br)cc1F)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761770 654170114 /nfs/dbraw/zinc/17/01/14/654170114.db2.gz HNCOWQNSWLSWIX-KGLIPLIRSA-N 1 0 389.240 2.399 20 0 GEADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889768641 654171311 /nfs/dbraw/zinc/17/13/11/654171311.db2.gz GRLVJRWVQFYZAV-IMJJTQAJSA-N 1 0 397.313 2.274 20 0 GEADRO COc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889781999 654172315 /nfs/dbraw/zinc/17/23/15/654172315.db2.gz PLPGKXAPKKRXEK-LSDHHAIUSA-N 1 0 383.286 2.129 20 0 GEADRO O=C(CSc1nc2ccccc2s1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889778654 654172472 /nfs/dbraw/zinc/17/24/72/654172472.db2.gz AUQMRANPQGYEAX-LSDHHAIUSA-N 1 0 377.535 2.446 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000851736409 654173335 /nfs/dbraw/zinc/17/33/35/654173335.db2.gz KKSDLIUONNLCNV-VQHPVUNQSA-N 1 0 378.450 2.145 20 0 GEADRO [NH3+]CCCCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000831267101 654175226 /nfs/dbraw/zinc/17/52/26/654175226.db2.gz HXPFFGKPXWOAEE-HNNXBMFYSA-N 1 0 397.317 2.151 20 0 GEADRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(Br)cc2CCO)CC1 ZINC000902357814 654175698 /nfs/dbraw/zinc/17/56/98/654175698.db2.gz AKRAYYJSCMVMTA-UHFFFAOYSA-N 1 0 399.329 2.352 20 0 GEADRO Cc1nn(C)c(Br)c1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000801078447 654176307 /nfs/dbraw/zinc/17/63/07/654176307.db2.gz KHOAFMTXQRZKRQ-AWEZNQCLSA-N 1 0 379.302 2.394 20 0 GEADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889821336 654181051 /nfs/dbraw/zinc/18/10/51/654181051.db2.gz MFYVWDLLAJMLRA-UHFFFAOYSA-N 1 0 385.295 2.251 20 0 GEADRO CS[C@@H]1CN(C(=O)c2c(C)nn(C)c2Br)C[C@H]1[NH+]1CCCC1 ZINC000801192903 654181956 /nfs/dbraw/zinc/18/19/56/654181956.db2.gz VVLPFMUSAYGKOC-VXGBXAGGSA-N 1 0 387.347 2.143 20 0 GEADRO C[N@H+](CCn1cnc(Br)n1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000851822281 654183612 /nfs/dbraw/zinc/18/36/12/654183612.db2.gz LSIYKWGMQLPTPQ-UHFFFAOYSA-N 1 0 378.274 2.065 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000902590090 654186019 /nfs/dbraw/zinc/18/60/19/654186019.db2.gz LXEZGQCGOOEPPB-JONQDZQNSA-N 1 0 376.513 2.484 20 0 GEADRO CC(C)[C@H]1CN(C(=O)c2ccc3ncc(I)n3c2)CC[NH2+]1 ZINC000831593743 654193014 /nfs/dbraw/zinc/19/30/14/654193014.db2.gz OMYOWAZSKCCFDM-GFCCVEGCSA-N 1 0 398.248 2.009 20 0 GEADRO C[N@@H+]1CCCC12CCN(C(=O)c1csc(I)n1)CC2 ZINC000831623774 654195150 /nfs/dbraw/zinc/19/51/50/654195150.db2.gz FVPUVJDBQACJSE-UHFFFAOYSA-N 1 0 391.278 2.448 20 0 GEADRO Cc1csc([C@](O)(CC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(F)(F)F)n1 ZINC000890078357 654195984 /nfs/dbraw/zinc/19/59/84/654195984.db2.gz BOMUCSSTBBYUKD-OAHLLOKOSA-N 1 0 379.448 2.440 20 0 GEADRO COc1ncc(Br)cc1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000851873259 654196331 /nfs/dbraw/zinc/19/63/31/654196331.db2.gz UKYUPEMXXRTZCT-QGZVFWFLSA-N 1 0 397.361 2.453 20 0 GEADRO Cc1ccc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c(Cl)n1 ZINC000851880289 654199223 /nfs/dbraw/zinc/19/92/23/654199223.db2.gz QSCJVNIXPHCZDX-CQSZACIVSA-N 1 0 387.933 2.307 20 0 GEADRO COC(=O)c1ccc(Br)cc1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000801523221 654199532 /nfs/dbraw/zinc/19/95/32/654199532.db2.gz LSYRGXHSADXMTM-UHFFFAOYSA-N 1 0 385.302 2.124 20 0 GEADRO NC(=O)[C@@](O)(C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000851884782 654200223 /nfs/dbraw/zinc/20/02/23/654200223.db2.gz BUYCUVRUNIZBSW-GOSISDBHSA-N 1 0 383.275 2.161 20 0 GEADRO CCO[C@@H](CNC(=O)[C@H]1CCOc2ccc(Br)cc21)C[NH+](C)C ZINC000831707372 654201409 /nfs/dbraw/zinc/20/14/09/654201409.db2.gz DANDIFYDTNMEAI-KBPBESRZSA-N 1 0 385.302 2.398 20 0 GEADRO CCO[C@H](CNC(=O)c1ccc(C(F)(F)Br)nc1)C[NH+](C)C ZINC000831708947 654201831 /nfs/dbraw/zinc/20/18/31/654201831.db2.gz VTUUATLGNZVUDY-LLVKDONJSA-N 1 0 380.233 2.222 20 0 GEADRO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870878308 654202086 /nfs/dbraw/zinc/20/20/86/654202086.db2.gz HBIQEZTYXPSVOP-XJKSGUPXSA-N 1 0 396.329 2.460 20 0 GEADRO COc1ccc([C@@H](C)[NH2+]C[C@@](O)(C(N)=O)c2ccccc2)cc1Br ZINC000851894160 654202146 /nfs/dbraw/zinc/20/21/46/654202146.db2.gz UBSXLJFGUQVVSN-XIKOKIGWSA-N 1 0 393.281 2.481 20 0 GEADRO [NH3+][C@H]1CC[C@@H](C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000870878725 654202327 /nfs/dbraw/zinc/20/23/27/654202327.db2.gz QMOXTUZADRORBR-OTVXOJSOSA-N 1 0 382.302 2.203 20 0 GEADRO [NH3+][C@@H](C(=O)N1CCC(N2CCCC2=O)CC1)c1cccc(Br)c1 ZINC000870882077 654202407 /nfs/dbraw/zinc/20/24/07/654202407.db2.gz HITWBJTZYIFHOD-MRXNPFEDSA-N 1 0 380.286 2.062 20 0 GEADRO O=C(CC[NH2+]CC1CC1)NCCc1ccc(I)s1 ZINC000870878982 654202472 /nfs/dbraw/zinc/20/24/72/654202472.db2.gz PITMIPXRMJCRAB-UHFFFAOYSA-N 1 0 378.279 2.401 20 0 GEADRO CCO[C@@H](CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)C[NH+](C)C ZINC000831718689 654202644 /nfs/dbraw/zinc/20/26/44/654202644.db2.gz NJYOJDUOUCOSDO-INIZCTEOSA-N 1 0 397.313 2.133 20 0 GEADRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1cccc(N2CCOC2=O)c1 ZINC000851896203 654202930 /nfs/dbraw/zinc/20/29/30/654202930.db2.gz BXSVCXIXRVAAON-NSHDSACASA-N 1 0 380.246 2.348 20 0 GEADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870884832 654203014 /nfs/dbraw/zinc/20/30/14/654203014.db2.gz CTMMORSGWVLIQW-OTVXOJSOSA-N 1 0 396.329 2.431 20 0 GEADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1cccc(S(N)(=O)=O)c1 ZINC000851902750 654204717 /nfs/dbraw/zinc/20/47/17/654204717.db2.gz SOPJTIVIOKWOLW-CQSZACIVSA-N 1 0 382.873 2.062 20 0 GEADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1cccc(S(N)(=O)=O)c1 ZINC000851902748 654204766 /nfs/dbraw/zinc/20/47/66/654204766.db2.gz SOPJTIVIOKWOLW-AWEZNQCLSA-N 1 0 382.873 2.062 20 0 GEADRO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000890197075 654204738 /nfs/dbraw/zinc/20/47/38/654204738.db2.gz GFEAUDNJXAZOEY-HNNXBMFYSA-N 1 0 397.317 2.296 20 0 GEADRO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870889736 654205106 /nfs/dbraw/zinc/20/51/06/654205106.db2.gz ASGBLZGBYLILLD-LRDDRELGSA-N 1 0 382.302 2.300 20 0 GEADRO CC(C)OCCN1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870896523 654206105 /nfs/dbraw/zinc/20/61/05/654206105.db2.gz VCFXPSVRABTXMR-MRXNPFEDSA-N 1 0 384.318 2.018 20 0 GEADRO [NH3+][C@@H](C(=O)NC[C@H](CO)Cc1ccccc1)c1cccc(Br)c1 ZINC000870902074 654206821 /nfs/dbraw/zinc/20/68/21/654206821.db2.gz ARHWMXXPRKYHMZ-RHSMWYFYSA-N 1 0 377.282 2.416 20 0 GEADRO CCO[C@H](CNC(=O)c1cnn(-c2ccc(Br)cc2)c1)C[NH+](C)C ZINC000831758079 654206867 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XVTOZXVOZBHHII-DVOMOZLQSA-N 1 0 394.313 2.497 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)C2 ZINC000920281801 654208413 /nfs/dbraw/zinc/20/84/13/654208413.db2.gz HIBNPTAPJXQBGS-MUIFIZLQSA-N 1 0 390.908 2.237 20 0 GEADRO CCO[C@@H](CNC(=O)COc1ccc(F)cc1Br)C[NH+](C)C ZINC000831776044 654208570 /nfs/dbraw/zinc/20/85/70/654208570.db2.gz DBSQQIVXJJNFOP-LBPRGKRZSA-N 1 0 377.254 2.050 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)C1 ZINC000870931299 654208819 /nfs/dbraw/zinc/20/88/19/654208819.db2.gz CHCFOASYDXNUDL-JCKWVBRZSA-N 1 0 396.304 2.360 20 0 GEADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC000920282574 654209060 /nfs/dbraw/zinc/20/90/60/654209060.db2.gz RRCOLMQSMICTFF-MUIFIZLQSA-N 1 0 390.908 2.237 20 0 GEADRO CC(C)[NH2+]CCCNC(=O)c1cnn(C(C)C)c1I ZINC000870936042 654209268 /nfs/dbraw/zinc/20/92/68/654209268.db2.gz XZTCGVFTEOOOTE-UHFFFAOYSA-N 1 0 378.258 2.187 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2Br)CCO1 ZINC000870940498 654209977 /nfs/dbraw/zinc/20/99/77/654209977.db2.gz JRRIIDKAYJIULM-SECBINFHSA-N 1 0 383.164 2.147 20 0 GEADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000903013128 654210281 /nfs/dbraw/zinc/21/02/81/654210281.db2.gz XGENBQJRYSQZNU-VXGBXAGGSA-N 1 0 383.290 2.088 20 0 GEADRO CC(=O)N[C@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000870946172 654212668 /nfs/dbraw/zinc/21/26/68/654212668.db2.gz QNWSGNIFIOGIGN-WPGHFRTFSA-N 1 0 382.302 2.070 20 0 GEADRO NC(=O)[C@@](O)(C[NH2+][C@H]1CCOc2c(Br)cccc21)c1ccccc1 ZINC000852015470 654213202 /nfs/dbraw/zinc/21/32/02/654213202.db2.gz LKAHAYANHIOAKX-MAUKXSAKSA-N 1 0 391.265 2.235 20 0 GEADRO CC(C)[NH+]1CCC(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000870959523 654214237 /nfs/dbraw/zinc/21/42/37/654214237.db2.gz KPFCGUFZHYBSDM-CQSZACIVSA-N 1 0 387.571 2.042 20 0 GEADRO Cc1ccc([C@@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[NH+](C)C)cc1 ZINC000852059929 654215352 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0 GEADRO C[C@@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000852088929 654217291 /nfs/dbraw/zinc/21/72/91/654217291.db2.gz IYAPWIJJDBUDAM-CANCMXDXSA-N 1 0 379.448 2.117 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000852084921 654217326 /nfs/dbraw/zinc/21/73/26/654217326.db2.gz ZVUFQEHVLUFUQT-ONGXEEELSA-N 1 0 382.195 2.474 20 0 GEADRO C[C@H](CNC(=O)N1CCn2ncc(Br)c2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000852091965 654217729 /nfs/dbraw/zinc/21/77/29/654217729.db2.gz OELQJZJUGMXYJG-QWHCGFSZSA-N 1 0 384.322 2.291 20 0 GEADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000852112412 654218485 /nfs/dbraw/zinc/21/84/85/654218485.db2.gz MXBPVTYPVJOSDK-ULQDDVLXSA-N 1 0 375.377 2.371 20 0 GEADRO Brc1ccc(C[NH2+][C@@H]2CCO[C@]23CCOC3)c(N2CCOCC2)c1 ZINC000903124576 654218793 /nfs/dbraw/zinc/21/87/93/654218793.db2.gz HMAYPRZVUGAZOI-MSOLQXFVSA-N 1 0 397.313 2.323 20 0 GEADRO CC(C)C[NH2+]C1(CO)CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000852123681 654219463 /nfs/dbraw/zinc/21/94/63/654219463.db2.gz UKHVJLZMJOSYKS-UHFFFAOYSA-N 1 0 388.961 2.186 20 0 GEADRO C[C@H](CSCCF)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000903146238 654221457 /nfs/dbraw/zinc/22/14/57/654221457.db2.gz TULPSSJYWCYBMR-ZIAGYGMSSA-N 1 0 398.566 2.091 20 0 GEADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000903153699 654222058 /nfs/dbraw/zinc/22/20/58/654222058.db2.gz IAKSBOFQPRAKOH-KLAILNCOSA-N 1 0 387.567 2.350 20 0 GEADRO Ic1ccc(OCC[NH2+][C@@H]2CCO[C@@]23CCOC3)cc1 ZINC000903166102 654223569 /nfs/dbraw/zinc/22/35/69/654223569.db2.gz QOEINWCZILVIBM-HUUCEWRRSA-N 1 0 389.233 2.208 20 0 GEADRO C[N@@H+]1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)[C@@H]1c1ccccc1 ZINC000852228866 654226691 /nfs/dbraw/zinc/22/66/91/654226691.db2.gz GJENBODAXHLHGT-KXTXEXGHSA-N 1 0 377.432 2.042 20 0 GEADRO COc1ccc(C2CCC([NH2+]CCS(=O)(=O)N=S(C)(C)=O)CC2)cc1 ZINC000903228276 654229438 /nfs/dbraw/zinc/22/94/38/654229438.db2.gz YAAAYYJJDMNOSZ-UHFFFAOYSA-N 1 0 388.555 2.368 20 0 GEADRO C[NH+](C)CC1(CNC(=O)N2CCn3ncc(Br)c3C2)CCCC1 ZINC000852285009 654230172 /nfs/dbraw/zinc/23/01/72/654230172.db2.gz QUECTRVGOLAPAF-UHFFFAOYSA-N 1 0 384.322 2.293 20 0 GEADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000903269885 654232110 /nfs/dbraw/zinc/23/21/10/654232110.db2.gz AVQHRIYHSHJDNH-FVQBIDKESA-N 1 0 378.460 2.462 20 0 GEADRO O=C(NCCn1cc(Br)cn1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000852331929 654232355 /nfs/dbraw/zinc/23/23/55/654232355.db2.gz DUJYTDCIVULZEQ-INIZCTEOSA-N 1 0 392.301 2.219 20 0 GEADRO O=S(=O)(CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)N1CCCC1 ZINC000903291051 654232358 /nfs/dbraw/zinc/23/23/58/654232358.db2.gz MVQRECSIIFZWOU-AWEZNQCLSA-N 1 0 377.432 2.493 20 0 GEADRO COC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000903365968 654236090 /nfs/dbraw/zinc/23/60/90/654236090.db2.gz BNUSZGNSVQBNAA-LSDHHAIUSA-N 1 0 381.416 2.186 20 0 GEADRO CO[C@@]1(C[NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)CCS(=O)(=O)C1 ZINC000903366635 654236154 /nfs/dbraw/zinc/23/61/54/654236154.db2.gz FAXHXCPMRYNJON-XHDPSFHLSA-N 1 0 394.306 2.313 20 0 GEADRO COc1cc(OC)c([C@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1Cl ZINC000903369445 654237133 /nfs/dbraw/zinc/23/71/33/654237133.db2.gz XLMFVRXZQQGWDU-MEDUHNTESA-N 1 0 377.890 2.212 20 0 GEADRO O=C1c2cc(Br)ccc2CN1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000802735579 654238359 /nfs/dbraw/zinc/23/83/59/654238359.db2.gz RHBOTIMUUWKGCN-AWEZNQCLSA-N 1 0 394.313 2.017 20 0 GEADRO O=C1c2cccc(Br)c2CN1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000802736095 654238393 /nfs/dbraw/zinc/23/83/93/654238393.db2.gz ULNQMUSQBNXNJD-CQSZACIVSA-N 1 0 394.313 2.017 20 0 GEADRO CC[NH+](CC)CCOCCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000832137797 654238892 /nfs/dbraw/zinc/23/88/92/654238892.db2.gz XQGFMCUUVIGJQJ-UHFFFAOYSA-N 1 0 389.338 2.489 20 0 GEADRO O=c1ccn(CCC[NH2+][C@H]2CCCc3ncc(Br)cc32)c(=O)[nH]1 ZINC000903430676 654239007 /nfs/dbraw/zinc/23/90/07/654239007.db2.gz ZAVCKCFFIACMJU-ZDUSSCGKSA-N 1 0 379.258 2.164 20 0 GEADRO O=C(CC[N@@H+]1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Br)cc1 ZINC000852433372 654239018 /nfs/dbraw/zinc/23/90/18/654239018.db2.gz UQHLSPSLXOOVCQ-AWEZNQCLSA-N 1 0 382.258 2.304 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000903577265 654260130 /nfs/dbraw/zinc/26/01/30/654260130.db2.gz HYGOXCMEFSLOPA-JTQLQIEISA-N 1 0 382.711 2.260 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c1F ZINC000903513165 654244459 /nfs/dbraw/zinc/24/44/59/654244459.db2.gz VLRMCSAZMUPEFC-VIFPVBQESA-N 1 0 381.267 2.017 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1F ZINC000903513691 654244693 /nfs/dbraw/zinc/24/46/93/654244693.db2.gz SZTKYOJPRJOVMN-NXEZZACHSA-N 1 0 395.294 2.345 20 0 GEADRO [NH3+][C@@H]1CN([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C(F)(F)F ZINC000903513440 654244764 /nfs/dbraw/zinc/24/47/64/654244764.db2.gz NNRJEQATPMMTAS-UPJWGTAASA-N 1 0 392.219 2.376 20 0 GEADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(CCn2cnc(Br)n2)C1 ZINC000852515401 654245232 /nfs/dbraw/zinc/24/52/32/654245232.db2.gz VMPLRHOKTHCYDS-INIZCTEOSA-N 1 0 378.318 2.289 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c1F ZINC000903519187 654247360 /nfs/dbraw/zinc/24/73/60/654247360.db2.gz SHLAXBNZCSXCKX-NSHDSACASA-N 1 0 393.278 2.017 20 0 GEADRO C[NH2+]CCOCCN(C)S(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903525001 654249141 /nfs/dbraw/zinc/24/91/41/654249141.db2.gz JAKVOMQMSGMXAP-UHFFFAOYSA-N 1 0 399.738 2.100 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@@H]1CC[NH2+]C12CCC2 ZINC000903525283 654249425 /nfs/dbraw/zinc/24/94/25/654249425.db2.gz ROBZBPAFSJOXOP-GFCCVEGCSA-N 1 0 377.279 2.292 20 0 GEADRO [NH3+]C[C@@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)C[C@H]1C(F)(F)F ZINC000871672833 654250862 /nfs/dbraw/zinc/25/08/62/654250862.db2.gz AETZVJNDKZZEIP-RKDXNWHRSA-N 1 0 393.207 2.326 20 0 GEADRO COc1ccc(Cl)cc1CNC(=O)CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903534340 654251165 /nfs/dbraw/zinc/25/11/65/654251165.db2.gz FPTFAADMRPLYBI-STQMWFEESA-N 1 0 379.810 2.176 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000903537851 654251445 /nfs/dbraw/zinc/25/14/45/654251445.db2.gz FLNQIPCVHHKNFT-UHFFFAOYSA-N 1 0 384.832 2.070 20 0 GEADRO C[C@]12CCN(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C[C@H]1C2(Cl)Cl ZINC000852639028 654251818 /nfs/dbraw/zinc/25/18/18/654251818.db2.gz QZIKUDFICHIOQX-FMKPAKJESA-N 1 0 376.328 2.465 20 0 GEADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000903544312 654252922 /nfs/dbraw/zinc/25/29/22/654252922.db2.gz VPLYHOOKFIVRLH-UHFFFAOYSA-N 1 0 386.823 2.487 20 0 GEADRO Cc1nc2ccc(S(=O)(=O)N3CC[NH2+]CCC34CCOCC4)cc2s1 ZINC000903549273 654254039 /nfs/dbraw/zinc/25/40/39/654254039.db2.gz IGZPHPYBIQBSGJ-UHFFFAOYSA-N 1 0 381.523 2.138 20 0 GEADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N(Cc1cccs1)Cc1ccncc1 ZINC000903555589 654254998 /nfs/dbraw/zinc/25/49/98/654254998.db2.gz SZUYJGRFZUNGQW-UHFFFAOYSA-N 1 0 380.539 2.074 20 0 GEADRO CC[NH+](CC)CCS(=O)(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000832337093 654260260 /nfs/dbraw/zinc/26/02/60/654260260.db2.gz ISIVGIKSUAZPNF-UHFFFAOYSA-N 1 0 377.551 2.037 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000852772378 654260392 /nfs/dbraw/zinc/26/03/92/654260392.db2.gz MFVJIGCACCYONP-OAHLLOKOSA-N 1 0 380.286 2.344 20 0 GEADRO COCc1cc(Cl)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903579351 654261083 /nfs/dbraw/zinc/26/10/83/654261083.db2.gz NOMOBFKPTNCRQY-STQMWFEESA-N 1 0 386.823 2.387 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CC[C@H]1C(F)(F)F ZINC000903578854 654261093 /nfs/dbraw/zinc/26/10/93/654261093.db2.gz KNWMKPSZJWKICN-RKDXNWHRSA-N 1 0 392.321 2.327 20 0 GEADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC1 ZINC000871805371 654261256 /nfs/dbraw/zinc/26/12/56/654261256.db2.gz SYCBNJGQNRTZCI-LLVKDONJSA-N 1 0 385.917 2.363 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000903579502 654261338 /nfs/dbraw/zinc/26/13/38/654261338.db2.gz OAZKFDZEOLRTGC-VXGBXAGGSA-N 1 0 388.358 2.231 20 0 GEADRO [NH3+][C@H]1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)CC[C@H]1C(F)(F)F ZINC000903580298 654261377 /nfs/dbraw/zinc/26/13/77/654261377.db2.gz TYMANCMSPPLHFM-KGLIPLIRSA-N 1 0 376.400 2.351 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c2ccccc2n1C ZINC000903580838 654261740 /nfs/dbraw/zinc/26/17/40/654261740.db2.gz YEMLIZHYCNXSFN-STQMWFEESA-N 1 0 375.416 2.387 20 0 GEADRO CO[C@H](CS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000903581487 654261784 /nfs/dbraw/zinc/26/17/84/654261784.db2.gz MYXSYNCGEABRSO-BFHYXJOUSA-N 1 0 384.395 2.055 20 0 GEADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC[C@H]1C(F)(F)F ZINC000903581611 654262060 /nfs/dbraw/zinc/26/20/60/654262060.db2.gz NXLWEGBXSYTNRO-HTQZYQBOSA-N 1 0 378.203 2.289 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000871810626 654262514 /nfs/dbraw/zinc/26/25/14/654262514.db2.gz IWINPPRGVWZBKT-KCJUWKMLSA-N 1 0 387.221 2.207 20 0 GEADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000871811391 654262524 /nfs/dbraw/zinc/26/25/24/654262524.db2.gz WMQXFKGFXFFPIL-CYBMUJFWSA-N 1 0 378.416 2.142 20 0 GEADRO CCc1c(NC(=O)C2=NO[C@H](C[NH3+])C2)n[nH]c1-c1ccc(Br)cc1 ZINC000852839054 654262787 /nfs/dbraw/zinc/26/27/87/654262787.db2.gz VWEYGVMMJXJUFS-NSHDSACASA-N 1 0 392.257 2.444 20 0 GEADRO Cn1c(Cl)cnc1-c1csc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)n1 ZINC000852845000 654263088 /nfs/dbraw/zinc/26/30/88/654263088.db2.gz QKEXPOPPTXAKBQ-MRVPVSSYSA-N 1 0 377.861 2.249 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cscc2Br)C[C@@H]1C(F)(F)F ZINC000871812649 654263291 /nfs/dbraw/zinc/26/32/91/654263291.db2.gz JHUIYRNCAUIFMQ-BQBZGAKWSA-N 1 0 393.250 2.268 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903585229 654263153 /nfs/dbraw/zinc/26/31/53/654263153.db2.gz NFLFZIPHODGNLS-ABAIWWIYSA-N 1 0 389.315 2.101 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H]1C(F)(F)F ZINC000871813131 654263268 /nfs/dbraw/zinc/26/32/68/654263268.db2.gz GDZFWXYHKLXDCU-RNFRBKRXSA-N 1 0 378.203 2.146 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)C[C@@H]1C(F)(F)F ZINC000871812858 654263302 /nfs/dbraw/zinc/26/33/02/654263302.db2.gz LQLKQSRMNSTTNS-XPUUQOCRSA-N 1 0 378.203 2.146 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1C(F)(F)F ZINC000871813373 654263537 /nfs/dbraw/zinc/26/35/37/654263537.db2.gz IEFUDIIVXPQECV-RQJHMYQMSA-N 1 0 378.203 2.146 20 0 GEADRO CC1(C)Cc2cc(S(=O)(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2O1 ZINC000871814128 654263909 /nfs/dbraw/zinc/26/39/09/654263909.db2.gz PLHQYNXVQLLBLW-AAEUAGOBSA-N 1 0 378.416 2.158 20 0 GEADRO CC1(C)Cc2cc(S(=O)(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)ccc2O1 ZINC000871814130 654263978 /nfs/dbraw/zinc/26/39/78/654263978.db2.gz PLHQYNXVQLLBLW-WCQYABFASA-N 1 0 378.416 2.158 20 0 GEADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@H]1C(F)(F)F ZINC000871814011 654263993 /nfs/dbraw/zinc/26/39/93/654263993.db2.gz NRFRYRLDPDLQPQ-RKDXNWHRSA-N 1 0 392.321 2.343 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)cs1 ZINC000903588139 654263997 /nfs/dbraw/zinc/26/39/97/654263997.db2.gz GTKSQXHJZZKWBX-JTQLQIEISA-N 1 0 384.454 2.000 20 0 GEADRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc2ncc(I)n2c1 ZINC000852868144 654264363 /nfs/dbraw/zinc/26/43/63/654264363.db2.gz OHOLHHNQVIHRHN-LLVKDONJSA-N 1 0 386.237 2.042 20 0 GEADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H]1C(F)(F)F ZINC000871814731 654264476 /nfs/dbraw/zinc/26/44/76/654264476.db2.gz XIYIXSLNMNGPSO-NKWVEPMBSA-N 1 0 378.750 2.376 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903589235 654264431 /nfs/dbraw/zinc/26/44/31/654264431.db2.gz NPEOADPVJCOGPP-AHIWAGSCSA-N 1 0 388.917 2.256 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903589031 654264441 /nfs/dbraw/zinc/26/44/41/654264441.db2.gz MFCZQLPQOPJLFK-GTNSWQLSSA-N 1 0 380.491 2.190 20 0 GEADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903589238 654264489 /nfs/dbraw/zinc/26/44/89/654264489.db2.gz NPEOADPVJCOGPP-OGHNNQOOSA-N 1 0 388.917 2.256 20 0 GEADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1 ZINC000903589416 654264507 /nfs/dbraw/zinc/26/45/07/654264507.db2.gz CETDYJTVMGTQCW-UHFFFAOYSA-N 1 0 382.404 2.111 20 0 GEADRO Cc1c(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000903589979 654264751 /nfs/dbraw/zinc/26/47/51/654264751.db2.gz SBCIFWTWXRRCGB-DYVFJYSZSA-N 1 0 380.901 2.336 20 0 GEADRO COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903589855 654264777 /nfs/dbraw/zinc/26/47/77/654264777.db2.gz ZRTKHJAUMKXPOW-SNVBAGLBSA-N 1 0 384.454 2.000 20 0 GEADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871816403 654264891 /nfs/dbraw/zinc/26/48/91/654264891.db2.gz FFFWCUAJMKLLMJ-DYVFJYSZSA-N 1 0 380.491 2.251 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871816794 654265132 /nfs/dbraw/zinc/26/51/32/654265132.db2.gz LBGWOWSIDUKFOG-GXTWGEPZSA-N 1 0 393.278 2.160 20 0 GEADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)cc2N1 ZINC000871817376 654265181 /nfs/dbraw/zinc/26/51/81/654265181.db2.gz CIPQZQZAUVBIAL-DOTOQJQBSA-N 1 0 383.901 2.178 20 0 GEADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871816795 654265219 /nfs/dbraw/zinc/26/52/19/654265219.db2.gz LBGWOWSIDUKFOG-JSGCOSHPSA-N 1 0 393.278 2.160 20 0 GEADRO C[C@]1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1(Br)Br ZINC000852880678 654265175 /nfs/dbraw/zinc/26/51/75/654265175.db2.gz OELVHFGMMNCHED-NEPJUHHUSA-N 1 0 380.124 2.485 20 0 GEADRO CN(C(=O)c1cnn(-c2ccccc2)c1I)C1CC([NH3+])C1 ZINC000852882189 654265220 /nfs/dbraw/zinc/26/52/20/654265220.db2.gz ZSTXUKADAOCRET-UHFFFAOYSA-N 1 0 396.232 2.039 20 0 GEADRO O=S(=O)(Cc1cccc(F)c1Br)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592068 654265332 /nfs/dbraw/zinc/26/53/32/654265332.db2.gz KWJCBRWHFCBARF-AWEZNQCLSA-N 1 0 377.279 2.246 20 0 GEADRO COC[C@]1(CNC(=O)c2cnn(-c3ccccc3)c2Br)CCC[NH2+]1 ZINC000852880308 654265430 /nfs/dbraw/zinc/26/54/30/654265430.db2.gz LYCFENYRHILRFI-QGZVFWFLSA-N 1 0 393.285 2.133 20 0 GEADRO Cc1c(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cnn1-c1ccc(Cl)cc1 ZINC000903592640 654265565 /nfs/dbraw/zinc/26/55/65/654265565.db2.gz HDAGWWRFJMNLGJ-QGZVFWFLSA-N 1 0 380.901 2.351 20 0 GEADRO O=C(C=C1CC[NH2+]CC1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000852889822 654265749 /nfs/dbraw/zinc/26/57/49/654265749.db2.gz FTQZVQFGPKKHJB-UHFFFAOYSA-N 1 0 377.242 2.425 20 0 GEADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871819453 654265869 /nfs/dbraw/zinc/26/58/69/654265869.db2.gz SYEQLHJITVZVBC-HUUCEWRRSA-N 1 0 389.315 2.162 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c(C)c1Cl ZINC000871820673 654265998 /nfs/dbraw/zinc/26/59/98/654265998.db2.gz SXWQCSQTTZXMGL-YMTOWFKASA-N 1 0 378.903 2.059 20 0 GEADRO [NH3+][C@H](C[C@H]1CCCN(S(=O)(=O)N=S2(=O)CCCC2)C1)C1CCCC1 ZINC000871822520 654266068 /nfs/dbraw/zinc/26/60/68/654266068.db2.gz HUTHZOZVWRMCOV-GDBMZVCRSA-N 1 0 377.576 2.113 20 0 GEADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903597594 654266017 /nfs/dbraw/zinc/26/60/17/654266017.db2.gz ZLYUSDFOKNVOJO-KRWDZBQOSA-N 1 0 381.885 2.413 20 0 GEADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852894748 654266083 /nfs/dbraw/zinc/26/60/83/654266083.db2.gz YIVBTPICHUTGMF-QWRGUYRKSA-N 1 0 398.248 2.333 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c(C)c1Cl ZINC000871820671 654266100 /nfs/dbraw/zinc/26/61/00/654266100.db2.gz SXWQCSQTTZXMGL-OTYXRUKQSA-N 1 0 378.903 2.059 20 0 GEADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901676 654266720 /nfs/dbraw/zinc/26/67/20/654266720.db2.gz NSGZAQADHSZARD-XNDJQWLSSA-N 1 0 380.124 2.339 20 0 GEADRO C[C@@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc2)C1 ZINC000903618641 654268144 /nfs/dbraw/zinc/26/81/44/654268144.db2.gz NTPXACRPMPPNQE-JBEBIEQOSA-N 1 0 388.559 2.150 20 0 GEADRO CN(C(=O)CCCCCCS(N)(=O)=O)C(C)(C)C[NH+]1CCCCCC1 ZINC000832517257 654271234 /nfs/dbraw/zinc/27/12/34/654271234.db2.gz GTQNZWPKQYZOQM-UHFFFAOYSA-N 1 0 375.579 2.338 20 0 GEADRO COC(=O)c1sc2c(c1Br)CN(C(=S)NCC[NH+](C)C)C2 ZINC000853051575 654274219 /nfs/dbraw/zinc/27/42/19/654274219.db2.gz GKOAMADZONTDCN-UHFFFAOYSA-N 1 0 392.344 2.049 20 0 GEADRO O[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000853115610 654279720 /nfs/dbraw/zinc/27/97/20/654279720.db2.gz LHPGRJQTOREWLT-RHSMWYFYSA-N 1 0 387.293 2.465 20 0 GEADRO CN(Cc1ccc(Cl)cc1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903713726 654280646 /nfs/dbraw/zinc/28/06/46/654280646.db2.gz ARBMEUAEBFHMNT-OLZOCXBDSA-N 1 0 377.794 2.037 20 0 GEADRO CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755266 654282379 /nfs/dbraw/zinc/28/23/79/654282379.db2.gz DNNMPHLNWIPAMI-JKSUJKDBSA-N 1 0 396.329 2.066 20 0 GEADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C2 ZINC000903771025 654282801 /nfs/dbraw/zinc/28/28/01/654282801.db2.gz GIYYFCKMZHZVMG-CHWSQXEVSA-N 1 0 394.313 2.043 20 0 GEADRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000903781248 654283278 /nfs/dbraw/zinc/28/32/78/654283278.db2.gz PJJYLLRLSUISOK-HNNXBMFYSA-N 1 0 382.302 2.008 20 0 GEADRO CN(Cc1nc(-c2cccc(Br)c2)no1)C1(C[NH3+])CCOCC1 ZINC000903807727 654284123 /nfs/dbraw/zinc/28/41/23/654284123.db2.gz QPSARSFMTGIJLI-UHFFFAOYSA-N 1 0 381.274 2.439 20 0 GEADRO O=C(NCc1csc(Br)c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891372215 654289885 /nfs/dbraw/zinc/28/98/85/654289885.db2.gz RZHTYYGBUOXQLL-LBPRGKRZSA-N 1 0 388.331 2.469 20 0 GEADRO CCCN(C(=O)C(=O)Nc1cnc(Br)c(C)c1)[C@H]1CC[N@H+](C)C1 ZINC000832743340 654292936 /nfs/dbraw/zinc/29/29/36/654292936.db2.gz WTBYWFQBBWJZFE-ZDUSSCGKSA-N 1 0 383.290 2.034 20 0 GEADRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000832755305 654292962 /nfs/dbraw/zinc/29/29/62/654292962.db2.gz GYOGTYJLEBLISJ-INIZCTEOSA-N 1 0 387.933 2.228 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c(F)cc1Cl ZINC000832755623 654293516 /nfs/dbraw/zinc/29/35/16/654293516.db2.gz AUWGOBXBGOVMEC-UHFFFAOYSA-N 1 0 392.880 2.418 20 0 GEADRO COc1cc(CNC(=O)NCc2cc(N)cc[nH+]2)cc(Br)c1OC ZINC000891465832 654295083 /nfs/dbraw/zinc/29/50/83/654295083.db2.gz PTCVBPHQZNZFLM-UHFFFAOYSA-N 1 0 395.257 2.443 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891482553 654296253 /nfs/dbraw/zinc/29/62/53/654296253.db2.gz MIJNQDLQAHUDAJ-BJHJDKERSA-N 1 0 383.290 2.123 20 0 GEADRO O=C(NCCSC(F)(F)F)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000853452559 654296550 /nfs/dbraw/zinc/29/65/50/654296550.db2.gz LVKLBGLYJGUDDB-AWEZNQCLSA-N 1 0 377.432 2.305 20 0 GEADRO CC(=O)c1ccc(N2CCC([NH2+]CCO)CC2)c(I)c1 ZINC000853462518 654297228 /nfs/dbraw/zinc/29/72/28/654297228.db2.gz XHVGOYRREYAXPB-UHFFFAOYSA-N 1 0 388.249 2.045 20 0 GEADRO COc1cc(Br)c(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000891494334 654297820 /nfs/dbraw/zinc/29/78/20/654297820.db2.gz MUAWXGXSVIJVQD-YVEFUNNKSA-N 1 0 398.301 2.217 20 0 GEADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccnc3I)C2)C1 ZINC000832870376 654300332 /nfs/dbraw/zinc/30/03/32/654300332.db2.gz IOSWPQQMQAGRPV-HNNXBMFYSA-N 1 0 385.249 2.244 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Cl)c(Cl)c3)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904080949 654300471 /nfs/dbraw/zinc/30/04/71/654300471.db2.gz AFPHDMZLMWVESF-OPQQBVKSSA-N 1 0 388.276 2.219 20 0 GEADRO [NH3+]C1CC(Cc2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)C1 ZINC000904103039 654301638 /nfs/dbraw/zinc/30/16/38/654301638.db2.gz LQRUGAGQLZPYDM-UHFFFAOYSA-N 1 0 380.242 2.474 20 0 GEADRO O=C1OCCN1[C@@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000853541851 654302034 /nfs/dbraw/zinc/30/20/34/654302034.db2.gz WKISBVKCLPGZHJ-GFCCVEGCSA-N 1 0 392.253 2.248 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)C[C@H]1C(F)(F)F ZINC000891588854 654302082 /nfs/dbraw/zinc/30/20/82/654302082.db2.gz IOURHJOSVOUBIS-NKWVEPMBSA-N 1 0 376.326 2.441 20 0 GEADRO C[NH+]1CCN(C[C@@H](NCc2nc(Br)c[nH]2)c2ccccc2)CC1 ZINC000921668412 654302295 /nfs/dbraw/zinc/30/22/95/654302295.db2.gz ZAMYZDRXRWNKCQ-OAHLLOKOSA-N 1 0 378.318 2.251 20 0 GEADRO CCOC(=O)[C@@H](C)C1C[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000871993348 654304446 /nfs/dbraw/zinc/30/44/46/654304446.db2.gz NGCCIXALSGCYCF-SWLSCSKDSA-N 1 0 386.286 2.320 20 0 GEADRO CN(C(=O)Nc1cccc(I)c1)C1(C[NH3+])CCOCC1 ZINC000904276339 654306676 /nfs/dbraw/zinc/30/66/76/654306676.db2.gz MIXDWLPNNXIQLQ-UHFFFAOYSA-N 1 0 389.237 2.263 20 0 GEADRO O=C(Nc1ccc(F)cc1I)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904364459 654308442 /nfs/dbraw/zinc/30/84/42/654308442.db2.gz MBSOKXDHBREXSY-XXILOJSOSA-N 1 0 375.185 2.445 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000904393443 654308800 /nfs/dbraw/zinc/30/88/00/654308800.db2.gz UMUIVXJQPDBMFH-CYBMUJFWSA-N 1 0 394.273 2.087 20 0 GEADRO [NH3+]C[C@H]1CN(C(=O)NCCc2nc3c(s2)CCCC3)C[C@@H]1C(F)(F)F ZINC000891733134 654308841 /nfs/dbraw/zinc/30/88/41/654308841.db2.gz YJGLNLVXLHUJOQ-QWRGUYRKSA-N 1 0 376.448 2.343 20 0 GEADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000904417432 654309692 /nfs/dbraw/zinc/30/96/92/654309692.db2.gz CJVOGKZHCYABKO-BZNIZROVSA-N 1 0 391.273 2.375 20 0 GEADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000904424329 654310444 /nfs/dbraw/zinc/31/04/44/654310444.db2.gz FPPACSFVRPWDAQ-SECBINFHSA-N 1 0 385.852 2.450 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(CN2Cc3c(cccc3Br)C2=O)CCO1 ZINC000853624799 654311049 /nfs/dbraw/zinc/31/10/49/654311049.db2.gz MNMXQSDMMHPFHM-AWEZNQCLSA-N 1 0 396.329 2.405 20 0 GEADRO COCCC1(NC(=O)NCCSCc2ccnc(Cl)c2)CC[NH2+]CC1 ZINC000891777324 654311193 /nfs/dbraw/zinc/31/11/93/654311193.db2.gz BQOGTEPZCXYAGE-UHFFFAOYSA-N 1 0 386.949 2.426 20 0 GEADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCSC2(CCC2)C1 ZINC000921720482 654311292 /nfs/dbraw/zinc/31/12/92/654311292.db2.gz YCPHKHFKRPYYQW-OAHLLOKOSA-N 1 0 386.587 2.158 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904459545 654311703 /nfs/dbraw/zinc/31/17/03/654311703.db2.gz UWWAWUJWCRFQLP-QJPTWQEYSA-N 1 0 377.246 2.044 20 0 GEADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@]34CCC[C@H]3[NH2+]CC4)nc12 ZINC000891791629 654312045 /nfs/dbraw/zinc/31/20/45/654312045.db2.gz QKTDAOOBXXTQHB-PBHICJAKSA-N 1 0 392.301 2.489 20 0 GEADRO CCn1c(CC[NH3+])nnc1Sc1cc(C(F)(F)F)c(C(=O)OC)cn1 ZINC000804530799 654312471 /nfs/dbraw/zinc/31/24/71/654312471.db2.gz NIWWALZIVOSFNO-UHFFFAOYSA-N 1 0 375.376 2.151 20 0 GEADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1)C(F)(F)F ZINC000921728562 654312793 /nfs/dbraw/zinc/31/27/93/654312793.db2.gz ABLQAMXTGHNJHD-SOUVJXGZSA-N 1 0 384.464 2.343 20 0 GEADRO O=C(NCC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)c1ccn[nH]1 ZINC000872061063 654313082 /nfs/dbraw/zinc/31/30/82/654313082.db2.gz VMVAWSRDZVECRV-BBRMVZONSA-N 1 0 393.285 2.269 20 0 GEADRO [NH3+]CCCOC1CCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000834296247 654313225 /nfs/dbraw/zinc/31/32/25/654313225.db2.gz SNLQBAVQVSKEER-UHFFFAOYSA-N 1 0 376.682 2.468 20 0 GEADRO Cc1[nH+]ccc(N2CCC(C(=O)N3CCN(C)CC3)CC2)c1Br ZINC000891831616 654313541 /nfs/dbraw/zinc/31/35/41/654313541.db2.gz YKWUQMZNWZDJDM-UHFFFAOYSA-N 1 0 381.318 2.143 20 0 GEADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC000872120896 654313985 /nfs/dbraw/zinc/31/39/85/654313985.db2.gz WGKVUVXVAQDYHU-CVFKAICRSA-N 1 0 379.469 2.299 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000872149044 654314378 /nfs/dbraw/zinc/31/43/78/654314378.db2.gz SPPVHBOQDJNYDM-BXKDBHETSA-N 1 0 380.208 2.457 20 0 GEADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000872147130 654314568 /nfs/dbraw/zinc/31/45/68/654314568.db2.gz DRMHRJHMGPYUHO-ZJUUUORDSA-N 1 0 380.208 2.457 20 0 GEADRO CCc1cccnc1-c1noc(-c2cc(Br)cn(CC[NH3+])c2=O)n1 ZINC000904608125 654314511 /nfs/dbraw/zinc/31/45/11/654314511.db2.gz WJIDORHIWGGMQK-UHFFFAOYSA-N 1 0 390.241 2.244 20 0 GEADRO Cc1ccc(SCCNC(=O)CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000872147789 654314576 /nfs/dbraw/zinc/31/45/76/654314576.db2.gz LEWQNRZDFZWMOY-ZFWWWQNUSA-N 1 0 375.460 2.272 20 0 GEADRO Ic1cccc(-c2noc([C@]34C[NH2+]C[C@H]3CCOC4)n2)c1 ZINC000904663850 654314744 /nfs/dbraw/zinc/31/47/44/654314744.db2.gz AWACRUOXWBYKSW-ABAIWWIYSA-N 1 0 397.216 2.219 20 0 GEADRO COc1ccc(Cc2noc([C@@]3(C)C[NH2+]CCO3)n2)c(Br)c1OC ZINC000872177123 654315724 /nfs/dbraw/zinc/31/57/24/654315724.db2.gz BQYIXHYTXRKHGH-MRXNPFEDSA-N 1 0 398.257 2.275 20 0 GEADRO C[NH+]1CCC(CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000891870670 654316145 /nfs/dbraw/zinc/31/61/45/654316145.db2.gz VLQFKQHJAQBBGZ-UHFFFAOYSA-N 1 0 391.990 2.440 20 0 GEADRO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000872191750 654316567 /nfs/dbraw/zinc/31/65/67/654316567.db2.gz NPCUCMQOOUXEBO-UHFFFAOYSA-N 1 0 380.436 2.098 20 0 GEADRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)c1ccc(Br)cc1OCCCO ZINC000872215407 654316987 /nfs/dbraw/zinc/31/69/87/654316987.db2.gz ZQBXXNMWCZKHQK-GXTWGEPZSA-N 1 0 390.318 2.383 20 0 GEADRO O[C@H](C[NH2+]C[C@H]1COC2(CCOCC2)O1)COc1cc(Cl)cc(Cl)c1 ZINC000872206061 654317036 /nfs/dbraw/zinc/31/70/36/654317036.db2.gz SFHVDLGMCBCZFC-ZBFHGGJFSA-N 1 0 392.279 2.245 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)c1ccc(Br)cc1OCCCO ZINC000872215408 654317129 /nfs/dbraw/zinc/31/71/29/654317129.db2.gz ZQBXXNMWCZKHQK-JSGCOSHPSA-N 1 0 390.318 2.383 20 0 GEADRO COCCC1(c2noc(-c3cc(Br)cn(CC[NH3+])c3=O)n2)CCC1 ZINC000904734012 654318631 /nfs/dbraw/zinc/31/86/31/654318631.db2.gz ULPLOLRFIHBBJX-UHFFFAOYSA-N 1 0 397.273 2.078 20 0 GEADRO Cn1cc(Br)c(CNC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)n1 ZINC000891934886 654318965 /nfs/dbraw/zinc/31/89/65/654318965.db2.gz CCTWECYBGMSFGO-AWEZNQCLSA-N 1 0 384.322 2.294 20 0 GEADRO C[C@@H](CN1CCOCC1)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000834363151 654319351 /nfs/dbraw/zinc/31/93/51/654319351.db2.gz VXOQJTJLUFZENE-BLLLJJGKSA-N 1 0 375.282 2.106 20 0 GEADRO Cn1ncc(I)c1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000872242857 654319451 /nfs/dbraw/zinc/31/94/51/654319451.db2.gz QARAHQDBUZWSPU-ZDUSSCGKSA-N 1 0 385.249 2.108 20 0 GEADRO C[C@H](CN1CCOCC1)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000834363154 654319517 /nfs/dbraw/zinc/31/95/17/654319517.db2.gz VXOQJTJLUFZENE-WBMJQRKESA-N 1 0 375.282 2.106 20 0 GEADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000872246743 654319589 /nfs/dbraw/zinc/31/95/89/654319589.db2.gz FNSUADBPKIDCRA-YJBOKZPZSA-N 1 0 383.897 2.143 20 0 GEADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc(Br)nn2)CC1 ZINC000891951971 654320549 /nfs/dbraw/zinc/32/05/49/654320549.db2.gz DOGOZEAGRZCABB-UHFFFAOYSA-N 1 0 398.349 2.160 20 0 GEADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1nc(Br)c[nH]1 ZINC000921775549 654321013 /nfs/dbraw/zinc/32/10/13/654321013.db2.gz HFWOWGPKPYCGPP-ZDUSSCGKSA-N 1 0 376.258 2.100 20 0 GEADRO O=C1CC2(CCOCC2)[N@H+](CCOc2ccccc2Br)CCN1 ZINC000872283264 654321243 /nfs/dbraw/zinc/32/12/43/654321243.db2.gz CUHXWGBSSIFMNE-UHFFFAOYSA-N 1 0 383.286 2.199 20 0 GEADRO C[C@](CO)(NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000891984083 654322043 /nfs/dbraw/zinc/32/20/43/654322043.db2.gz PTHKJGCRNXFNLS-SCLBCKFNSA-N 1 0 396.329 2.440 20 0 GEADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCC[NH2+]C1CC1 ZINC000891988503 654322663 /nfs/dbraw/zinc/32/26/63/654322663.db2.gz HYDWLPZBYSXZBZ-CQSZACIVSA-N 1 0 376.284 2.127 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000891995373 654322936 /nfs/dbraw/zinc/32/29/36/654322936.db2.gz NIGGSQLSSPHZBG-DOMZBBRYSA-N 1 0 390.311 2.374 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C(F)(F)F)n1 ZINC000904927613 654324516 /nfs/dbraw/zinc/32/45/16/654324516.db2.gz HAQIYAUBVMWSSN-AVNXNWIJSA-N 1 0 379.448 2.423 20 0 GEADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)C(F)(F)F)n1 ZINC000904940813 654324905 /nfs/dbraw/zinc/32/49/05/654324905.db2.gz TUCANEDFTACWAL-TYNCELHUSA-N 1 0 377.432 2.192 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000892024923 654325592 /nfs/dbraw/zinc/32/55/92/654325592.db2.gz SPRMDRJUXIZIQF-ZFWWWQNUSA-N 1 0 376.284 2.112 20 0 GEADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853851342 654325628 /nfs/dbraw/zinc/32/56/28/654325628.db2.gz WYHKGFHMDWZZJR-LRDDRELGSA-N 1 0 394.313 2.145 20 0 GEADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000892047734 654326432 /nfs/dbraw/zinc/32/64/32/654326432.db2.gz BPXIHYWHJXLALW-DZGCQCFKSA-N 1 0 376.284 2.112 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892091576 654327799 /nfs/dbraw/zinc/32/77/99/654327799.db2.gz GMSQZZJXEKQONV-XFJVYGCCSA-N 1 0 390.311 2.373 20 0 GEADRO C[C@@]1(CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000834475396 654328344 /nfs/dbraw/zinc/32/83/44/654328344.db2.gz RVCJSMHQRCBZJF-QGZVFWFLSA-N 1 0 379.917 2.393 20 0 GEADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)C[C@@]1(O)CCOC1 ZINC000905082602 654329756 /nfs/dbraw/zinc/32/97/56/654329756.db2.gz UUIZEIYMRPIQKT-DOMZBBRYSA-N 1 0 396.228 2.043 20 0 GEADRO C[C@@](O)(C[NH2+]CCOc1ccc(S(C)(=O)=O)cc1)C(F)(F)C(F)(F)F ZINC000905094475 654330784 /nfs/dbraw/zinc/33/07/84/654330784.db2.gz FVPXZANJVRWHSR-GFCCVEGCSA-N 1 0 391.358 2.007 20 0 GEADRO [NH3+]CC[C@H](NC(=O)N[C@H]1COc2cccc(Br)c2C1)C(F)F ZINC000892150370 654331044 /nfs/dbraw/zinc/33/10/44/654331044.db2.gz IRCUKKGHLOLIRV-KCJUWKMLSA-N 1 0 378.217 2.034 20 0 GEADRO O[C@@H](C[NH2+]CCCc1ccc(Br)cc1F)C[C@@]1(O)CCOC1 ZINC000905119778 654333150 /nfs/dbraw/zinc/33/31/50/654333150.db2.gz NIUNDXAMJYHYDL-ZBFHGGJFSA-N 1 0 376.266 2.013 20 0 GEADRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1nc(Br)cs1 ZINC000834571654 654336024 /nfs/dbraw/zinc/33/60/24/654336024.db2.gz VNAWBIDQQFABSJ-WDEREUQCSA-N 1 0 375.336 2.144 20 0 GEADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872440362 654336269 /nfs/dbraw/zinc/33/62/69/654336269.db2.gz JGJBJQKDLOZFTN-UHFFFAOYSA-N 1 0 376.320 2.339 20 0 GEADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2C)C1 ZINC000805023618 654337018 /nfs/dbraw/zinc/33/70/18/654337018.db2.gz YAJVSUOXBBHQHP-AWEZNQCLSA-N 1 0 375.922 2.165 20 0 GEADRO C[C@@H](NC(=O)NCC1(n2cc(Br)cn2)CC1)C1=CC[N@H+](C)CC1 ZINC000921881047 654337127 /nfs/dbraw/zinc/33/71/27/654337127.db2.gz MVMODPJIULBZRH-GFCCVEGCSA-N 1 0 382.306 2.084 20 0 GEADRO C[NH+](C)C1(CNC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CCC1 ZINC000854013668 654337290 /nfs/dbraw/zinc/33/72/90/654337290.db2.gz BGQCANZHXRJFFX-UHFFFAOYSA-N 1 0 382.302 2.146 20 0 GEADRO O[C@@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C[C@]1(O)CCOC1 ZINC000905189185 654337289 /nfs/dbraw/zinc/33/72/89/654337289.db2.gz LDEDGWUZPXRWSO-SJLPKXTDSA-N 1 0 382.913 2.498 20 0 GEADRO O=C(NCCOc1cccc(Cl)c1Cl)NCC[NH+]1CCC(O)CC1 ZINC000892282718 654338376 /nfs/dbraw/zinc/33/83/76/654338376.db2.gz BTLCKWXBEQQBBX-UHFFFAOYSA-N 1 0 376.284 2.128 20 0 GEADRO Cc1csc([C@@H](C)C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)n1 ZINC000905206828 654338815 /nfs/dbraw/zinc/33/88/15/654338815.db2.gz DHROHMUEFZMSBD-GXTWGEPZSA-N 1 0 389.587 2.146 20 0 GEADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000892323006 654340217 /nfs/dbraw/zinc/34/02/17/654340217.db2.gz RICCOILPIPBBAO-VUNQQRPYSA-N 1 0 376.298 2.482 20 0 GEADRO CC[C@@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000834641968 654340502 /nfs/dbraw/zinc/34/05/02/654340502.db2.gz OKOGTLGUMITIFX-BXUZGUMPSA-N 1 0 379.917 2.473 20 0 GEADRO CC[C@](O)(C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C(F)(F)F ZINC000905219171 654340583 /nfs/dbraw/zinc/34/05/83/654340583.db2.gz KATAYHOSDDTCNR-AWEZNQCLSA-N 1 0 384.395 2.159 20 0 GEADRO O=S(=O)(Cc1cc(F)ccc1Cl)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921912317 654341353 /nfs/dbraw/zinc/34/13/53/654341353.db2.gz ORVGJLRBXUMNKC-OAHLLOKOSA-N 1 0 376.881 2.152 20 0 GEADRO C[C@@H]1C[C@@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[NH2+]1 ZINC000834682045 654342395 /nfs/dbraw/zinc/34/23/95/654342395.db2.gz NGDPPUNYQXCQDS-NEPJUHHUSA-N 1 0 378.523 2.185 20 0 GEADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC000872460732 654343524 /nfs/dbraw/zinc/34/35/24/654343524.db2.gz DNZNPQNFHMIIPX-UHFFFAOYSA-N 1 0 380.432 2.277 20 0 GEADRO Cc1nc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(Br)n1C ZINC000805061681 654343989 /nfs/dbraw/zinc/34/39/89/654343989.db2.gz SXZPKRYNPSFAQU-LLVKDONJSA-N 1 0 393.351 2.034 20 0 GEADRO CN(C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000892438458 654346495 /nfs/dbraw/zinc/34/64/95/654346495.db2.gz CENWYMGJAPLZPP-WHOFXGATSA-N 1 0 385.917 2.327 20 0 GEADRO C[NH+](C)CCN1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000854296333 654348087 /nfs/dbraw/zinc/34/80/87/654348087.db2.gz IICOPEIQEFOOBF-UHFFFAOYSA-N 1 0 390.272 2.247 20 0 GEADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cccc(Br)c1)C2 ZINC000905293218 654348593 /nfs/dbraw/zinc/34/85/93/654348593.db2.gz VYJLERXWCAJPQU-IETSOEAISA-N 1 0 382.258 2.193 20 0 GEADRO O=C(NCCc1ccccc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892504875 654348712 /nfs/dbraw/zinc/34/87/12/654348712.db2.gz DMKWYNOZGLPXSO-IRXDYDNUSA-N 1 0 396.329 2.232 20 0 GEADRO O=S1(=O)C[C@H](Cc2nc(-c3c(Cl)cccc3Cl)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000905305798 654349449 /nfs/dbraw/zinc/34/94/49/654349449.db2.gz WVQOEPGLSJOHKO-SBMIAAHKSA-N 1 0 388.276 2.219 20 0 GEADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872477168 654349877 /nfs/dbraw/zinc/34/98/77/654349877.db2.gz FPPPDQXOYYYGCQ-UHFFFAOYSA-N 1 0 385.917 2.330 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC(=O)NCc1ccco1 ZINC000892528631 654350182 /nfs/dbraw/zinc/35/01/82/654350182.db2.gz XWCVKNFHVRNXNZ-UHFFFAOYSA-N 1 0 380.242 2.407 20 0 GEADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000834817531 654350433 /nfs/dbraw/zinc/35/04/33/654350433.db2.gz USIQTUDPGOXBPU-AGIUHOORSA-N 1 0 387.933 2.226 20 0 GEADRO CCOc1cc(CNS(=O)(=O)CC2CC[NH2+]CC2)ccc1OC(F)F ZINC000905333640 654350893 /nfs/dbraw/zinc/35/08/93/654350893.db2.gz JOJSESQWLNHWNI-UHFFFAOYSA-N 1 0 378.441 2.106 20 0 GEADRO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000905337289 654351371 /nfs/dbraw/zinc/35/13/71/654351371.db2.gz DTYBQMIBJJJNLS-LLVKDONJSA-N 1 0 384.889 2.370 20 0 GEADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000892566160 654351627 /nfs/dbraw/zinc/35/16/27/654351627.db2.gz YEDWBZBKXRRRRU-TXEJJXNPSA-N 1 0 385.295 2.198 20 0 GEADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000905355277 654352500 /nfs/dbraw/zinc/35/25/00/654352500.db2.gz APGDQONIQUHNSZ-AWEZNQCLSA-N 1 0 377.432 2.499 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C2(C)C)ccc1Br ZINC000905354762 654352561 /nfs/dbraw/zinc/35/25/61/654352561.db2.gz WNNVJVPKCMGNGB-ZDUSSCGKSA-N 1 0 375.288 2.071 20 0 GEADRO O=C(NC[C@@H](O)c1cccc(Br)c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892591237 654353197 /nfs/dbraw/zinc/35/31/97/654353197.db2.gz TURDMMPDWNSAKI-MSQAHXEGSA-N 1 0 382.302 2.312 20 0 GEADRO OC[C@@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)Cc1ccccc1Br ZINC000905364575 654353343 /nfs/dbraw/zinc/35/33/43/654353343.db2.gz DZWXXCBUEDQMFX-ZBFHGGJFSA-N 1 0 386.330 2.246 20 0 GEADRO OC[C@@H](C[NH2+]C[C@H](O)CC1(O)CCCC1)Cc1ccc(Br)cc1 ZINC000905366496 654353652 /nfs/dbraw/zinc/35/36/52/654353652.db2.gz OLCCHSWGLMAWBG-NVXWUHKLSA-N 1 0 386.330 2.246 20 0 GEADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)NCc2ccc(Br)cn2)CC1 ZINC000892616945 654353855 /nfs/dbraw/zinc/35/38/55/654353855.db2.gz QLYOGZKBVYTTEH-CVEARBPZSA-N 1 0 397.317 2.272 20 0 GEADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCc3ccc(Br)cn3)C2)C1 ZINC000892615680 654353893 /nfs/dbraw/zinc/35/38/93/654353893.db2.gz GBUYADZIBWVOSP-BJJXKVORSA-N 1 0 397.317 2.272 20 0 GEADRO O=C(NCc1cnc(Br)cn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000854351502 654354046 /nfs/dbraw/zinc/35/40/46/654354046.db2.gz YZMPURKQRTWCLI-AWEZNQCLSA-N 1 0 390.285 2.163 20 0 GEADRO CCNC(=O)COc1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892626295 654354213 /nfs/dbraw/zinc/35/42/13/654354213.db2.gz RVVDYGBFDFCDLM-UHFFFAOYSA-N 1 0 394.269 2.354 20 0 GEADRO O=C(NCc1cnc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000854351949 654354415 /nfs/dbraw/zinc/35/44/15/654354415.db2.gz MIKXOLSOUGOXKW-AWEZNQCLSA-N 1 0 375.270 2.377 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000905428943 654356349 /nfs/dbraw/zinc/35/63/49/654356349.db2.gz AOYDHRFNUAVISS-ZFWWWQNUSA-N 1 0 381.416 2.002 20 0 GEADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000905429988 654356670 /nfs/dbraw/zinc/35/66/70/654356670.db2.gz HQXBCPXGIXROQM-QWHCGFSZSA-N 1 0 382.309 2.290 20 0 GEADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000892679256 654357430 /nfs/dbraw/zinc/35/74/30/654357430.db2.gz MPGYGLKPKDSCAV-QJPTWQEYSA-N 1 0 382.309 2.146 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000905440094 654357490 /nfs/dbraw/zinc/35/74/90/654357490.db2.gz QQQWRQSWWUXJLC-UHFFFAOYSA-N 1 0 398.349 2.080 20 0 GEADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000905433473 654357545 /nfs/dbraw/zinc/35/75/45/654357545.db2.gz XEFFSZGVHZUEDT-ZFWWWQNUSA-N 1 0 382.309 2.290 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000835030455 654357650 /nfs/dbraw/zinc/35/76/50/654357650.db2.gz DOFJQXXOPGISCF-UHFFFAOYSA-N 1 0 397.317 2.472 20 0 GEADRO O[C@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)COCc1ccccc1Cl ZINC000905447788 654357903 /nfs/dbraw/zinc/35/79/03/654357903.db2.gz UXDPYKDGJIAFDI-PWSUYJOCSA-N 1 0 377.737 2.366 20 0 GEADRO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905446511 654357926 /nfs/dbraw/zinc/35/79/26/654357926.db2.gz IBSNFDVBKGDZCS-CABZTGNLSA-N 1 0 375.359 2.296 20 0 GEADRO C[NH2+]CCOCCN(C)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000892699851 654360082 /nfs/dbraw/zinc/36/00/82/654360082.db2.gz XIUBBIIKWVWDDY-UHFFFAOYSA-N 1 0 384.318 2.358 20 0 GEADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000835075054 654360546 /nfs/dbraw/zinc/36/05/46/654360546.db2.gz YFEVKDJDXJENFJ-LBPRGKRZSA-N 1 0 383.290 2.082 20 0 GEADRO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000892718413 654361195 /nfs/dbraw/zinc/36/11/95/654361195.db2.gz LGHHARBPYIIYDP-PWSUYJOCSA-N 1 0 390.299 2.133 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000892731274 654361717 /nfs/dbraw/zinc/36/17/17/654361717.db2.gz LWTKCKSHHYKZCO-NEPJUHHUSA-N 1 0 389.315 2.109 20 0 GEADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1csc(I)n1 ZINC000854455250 654361881 /nfs/dbraw/zinc/36/18/81/654361881.db2.gz FQHWASQJBJIDMN-KOLCDFICSA-N 1 0 391.278 2.447 20 0 GEADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)Nc2ccc(Cl)nc2)CC1 ZINC000905523163 654363104 /nfs/dbraw/zinc/36/31/04/654363104.db2.gz NVXPPBOUHQXDDX-UHFFFAOYSA-N 1 0 381.933 2.238 20 0 GEADRO C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000854467439 654363127 /nfs/dbraw/zinc/36/31/27/654363127.db2.gz UTSPAKONVLWABQ-LBPRGKRZSA-N 1 0 375.332 2.359 20 0 GEADRO C[NH+](C)C[C@H](CO)NC(=O)c1ccsc1NC(=O)c1ccccc1Cl ZINC000854467622 654363267 /nfs/dbraw/zinc/36/32/67/654363267.db2.gz WLPBQGDLGVUWIG-LLVKDONJSA-N 1 0 381.885 2.306 20 0 GEADRO CCn1c(C[NH2+]C[C@]2(O)CCO[C@H]2C)nc(Br)c1Br ZINC000922080718 654364800 /nfs/dbraw/zinc/36/48/00/654364800.db2.gz ZDWONRSRFNHSSI-QPUJVOFHSA-N 1 0 397.111 2.058 20 0 GEADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@H]2CCNC2=O)CC1 ZINC000854503646 654365159 /nfs/dbraw/zinc/36/51/59/654365159.db2.gz JGHLTJKFMJKZDW-HNNXBMFYSA-N 1 0 394.313 2.008 20 0 GEADRO CO[C@@]1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCSC1 ZINC000905547632 654365033 /nfs/dbraw/zinc/36/50/33/654365033.db2.gz ZJYLEFOPZHSDTH-UKRRQHHQSA-N 1 0 376.316 2.301 20 0 GEADRO Cc1cc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)nn1C ZINC000905560108 654366353 /nfs/dbraw/zinc/36/63/53/654366353.db2.gz INWWRYZADDNREJ-HNNXBMFYSA-N 1 0 386.265 2.202 20 0 GEADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000905567485 654366727 /nfs/dbraw/zinc/36/67/27/654366727.db2.gz PCYIYEUBFRMBFJ-YUELXQCFSA-N 1 0 381.416 2.213 20 0 GEADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cnc(F)c(Br)c2)CC1 ZINC000854570021 654367490 /nfs/dbraw/zinc/36/74/90/654367490.db2.gz NBMHSMFRJGCKQJ-NSHDSACASA-N 1 0 386.265 2.309 20 0 GEADRO Cc1cc(C[NH2+][C@H](C)C(=O)NCCF)c(C)cc1I ZINC000922102970 654367476 /nfs/dbraw/zinc/36/74/76/654367476.db2.gz RRRIGSATGBMOLQ-LLVKDONJSA-N 1 0 378.229 2.472 20 0 GEADRO O=S(=O)(CC[NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000905587698 654368145 /nfs/dbraw/zinc/36/81/45/654368145.db2.gz RSOKPZXOBZJHTH-UHFFFAOYSA-N 1 0 384.299 2.198 20 0 GEADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCC(Cc3nccs3)CC1)C2 ZINC000892878354 654368406 /nfs/dbraw/zinc/36/84/06/654368406.db2.gz QJUZVASQMQOUAW-UHFFFAOYSA-N 1 0 377.539 2.491 20 0 GEADRO C[C@@H](OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1 ZINC000905602902 654368972 /nfs/dbraw/zinc/36/89/72/654368972.db2.gz WKTLUIMBAHCKCA-ZWAAXBBMSA-N 1 0 387.929 2.476 20 0 GEADRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)CCOCCO ZINC000922120447 654369902 /nfs/dbraw/zinc/36/99/02/654369902.db2.gz IEKSKFQFWFFVLL-LSDHHAIUSA-N 1 0 375.296 2.154 20 0 GEADRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]CCn1cc(Br)cn1 ZINC000922124473 654370279 /nfs/dbraw/zinc/37/02/79/654370279.db2.gz SUVAAJORTDOBRE-LBPRGKRZSA-N 1 0 382.258 2.376 20 0 GEADRO OCc1cn(CCC[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)nn1 ZINC000922136922 654371116 /nfs/dbraw/zinc/37/11/16/654371116.db2.gz GHWRFHQGCCCKHY-UHFFFAOYSA-N 1 0 382.237 2.333 20 0 GEADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cn(C(C)(C)C)nc1Br ZINC000854642348 654372127 /nfs/dbraw/zinc/37/21/27/654372127.db2.gz KPEDJHLFPNHQKA-KGLIPLIRSA-N 1 0 399.333 2.336 20 0 GEADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000854645132 654372642 /nfs/dbraw/zinc/37/26/42/654372642.db2.gz YWYZMOZSLPRAOK-UHFFFAOYSA-N 1 0 390.525 2.015 20 0 GEADRO OC[C@@H](C[NH2+]Cc1cnc2n1CCOC2)Cc1cc(Br)ccc1F ZINC000922162813 654372744 /nfs/dbraw/zinc/37/27/44/654372744.db2.gz VKEVDBQBWBRNPY-GFCCVEGCSA-N 1 0 398.276 2.256 20 0 GEADRO CCn1c(C[NH2+]C[C@@]2(C)CCC(=O)N2)nc(Br)c1Br ZINC000922169722 654373088 /nfs/dbraw/zinc/37/30/88/654373088.db2.gz PANJEPATEBIVIT-GFCCVEGCSA-N 1 0 394.111 2.186 20 0 GEADRO C[NH+](C)CCn1nccc1NC(=O)c1cnn(C(C)(C)C)c1Br ZINC000854665623 654373975 /nfs/dbraw/zinc/37/39/75/654373975.db2.gz YCNWQVOAHLFAFK-UHFFFAOYSA-N 1 0 383.294 2.411 20 0 GEADRO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000905697002 654375213 /nfs/dbraw/zinc/37/52/13/654375213.db2.gz SVMUVNBHVVNBJT-HOCLYGCPSA-N 1 0 395.297 2.417 20 0 GEADRO C[C@@](CO)(NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000893019003 654375984 /nfs/dbraw/zinc/37/59/84/654375984.db2.gz PDVRCEMUUOAVFX-YOEHRIQHSA-N 1 0 382.302 2.193 20 0 GEADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1cc(Br)ccc1=O ZINC000893027302 654376554 /nfs/dbraw/zinc/37/65/54/654376554.db2.gz TWKFMAOURMHJNU-DZGCQCFKSA-N 1 0 384.318 2.332 20 0 GEADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)n2)[C@H](C)C1 ZINC000835266884 654376576 /nfs/dbraw/zinc/37/65/76/654376576.db2.gz NQXPDEYRVIHXCL-OLZOCXBDSA-N 1 0 397.317 2.280 20 0 GEADRO OCCO[C@@]1(C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CCOC1 ZINC000922241655 654378477 /nfs/dbraw/zinc/37/84/77/654378477.db2.gz YAJJJGIVQQBIHM-MRXNPFEDSA-N 1 0 387.249 2.327 20 0 GEADRO CC(C)[NH2+]Cc1cn(CC(=O)N(C)Cc2cc(Br)cs2)nn1 ZINC000905795355 654380260 /nfs/dbraw/zinc/38/02/60/654380260.db2.gz PUXGHEVQERCDKB-UHFFFAOYSA-N 1 0 386.319 2.259 20 0 GEADRO O=C(NCCc1ccc(Br)cc1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893079390 654380766 /nfs/dbraw/zinc/38/07/66/654380766.db2.gz XARDIEJCJSBREU-IRXDYDNUSA-N 1 0 396.329 2.232 20 0 GEADRO COc1cc(C[NH2+]CC2OCCCO2)cc(I)c1OC ZINC000922279838 654380951 /nfs/dbraw/zinc/38/09/51/654380951.db2.gz ZIPOIZOMCMDGRW-UHFFFAOYSA-N 1 0 393.221 2.161 20 0 GEADRO CCn1c(Br)c(Br)nc1C[NH2+]CCc1cncn1C ZINC000922274291 654381019 /nfs/dbraw/zinc/38/10/19/654381019.db2.gz WARMMZJLSNUTDK-UHFFFAOYSA-N 1 0 391.111 2.494 20 0 GEADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000922334524 654384423 /nfs/dbraw/zinc/38/44/23/654384423.db2.gz CEYAIDTVUPCILY-HNNXBMFYSA-N 1 0 391.269 2.219 20 0 GEADRO NC(=O)[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1cccc(Br)c1 ZINC000905852465 654384989 /nfs/dbraw/zinc/38/49/89/654384989.db2.gz DYWNKVFNKUSFGE-RRFJBIMHSA-N 1 0 384.343 2.145 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000872662110 654386698 /nfs/dbraw/zinc/38/66/98/654386698.db2.gz BQWXHKDKBGRFPV-UONOGXRCSA-N 1 0 389.315 2.315 20 0 GEADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000872665625 654387984 /nfs/dbraw/zinc/38/79/84/654387984.db2.gz PRKORVVMQWYSJZ-HZPDHXFCSA-N 1 0 375.897 2.324 20 0 GEADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2csc(I)n2)C1 ZINC000854911937 654388989 /nfs/dbraw/zinc/38/89/89/654388989.db2.gz AWUDLYMLPCDFBM-VIFPVBQESA-N 1 0 379.267 2.209 20 0 GEADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000893209564 654389629 /nfs/dbraw/zinc/38/96/29/654389629.db2.gz KTHIIILGWMBIAF-RGBHZWMGSA-N 1 0 388.892 2.164 20 0 GEADRO O[C@H](CCC1(O)CCC1)C[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000905917637 654390687 /nfs/dbraw/zinc/39/06/87/654390687.db2.gz DULRCTJUBOACIR-CHWSQXEVSA-N 1 0 378.296 2.379 20 0 GEADRO O[C@H](C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1)C[C@@]1(O)CCOC1 ZINC000905919614 654391040 /nfs/dbraw/zinc/39/10/40/654391040.db2.gz PFMGJUSNEUUTAW-SQNIBIBYSA-N 1 0 384.314 2.358 20 0 GEADRO C[N@H+](CCN1CCN(CC[S@](=O)C(F)(F)F)CC1)Cc1ccccc1 ZINC000905935359 654392218 /nfs/dbraw/zinc/39/22/18/654392218.db2.gz UTWAIIYHACRTHH-VWLOTQADSA-N 1 0 377.476 2.005 20 0 GEADRO C[N@@H+]1CC[C@@H]2CN(Cn3c(=O)oc4cc(Br)c(F)cc43)CC[C@@H]21 ZINC000872722940 654392770 /nfs/dbraw/zinc/39/27/70/654392770.db2.gz IEFMFQNAQUKFBV-MFKMUULPSA-N 1 0 384.249 2.480 20 0 GEADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cnn(C(C)(C)C)c1Br)CCO2 ZINC000855010392 654393822 /nfs/dbraw/zinc/39/38/22/654393822.db2.gz TXMHQPLWHBHQDV-UHFFFAOYSA-N 1 0 399.333 2.337 20 0 GEADRO Cn1cc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c(I)n1 ZINC000922456191 654394576 /nfs/dbraw/zinc/39/45/76/654394576.db2.gz SCHSGPHXVNFVRI-RKDXNWHRSA-N 1 0 389.159 2.224 20 0 GEADRO O=C1COc2ccccc2CN1CC[NH2+]Cc1ccc(Br)cn1 ZINC000922463350 654395571 /nfs/dbraw/zinc/39/55/71/654395571.db2.gz RMZZJUCWAVJHGP-UHFFFAOYSA-N 1 0 376.254 2.355 20 0 GEADRO COC(=O)c1sccc1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000893301933 654396088 /nfs/dbraw/zinc/39/60/88/654396088.db2.gz FKYGMQCKAMLTLA-UHFFFAOYSA-N 1 0 384.479 2.075 20 0 GEADRO C[NH+](C)[C@@H](CNC(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccsc1 ZINC000872817889 654398409 /nfs/dbraw/zinc/39/84/09/654398409.db2.gz ISTGOWZSUKTEML-WDVRLDOZSA-N 1 0 385.555 2.006 20 0 GEADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cncc(Br)c2C)cn1 ZINC000922526959 654399760 /nfs/dbraw/zinc/39/97/60/654399760.db2.gz OUJNFUPMHCQGQC-WBVHZDCISA-N 1 0 392.301 2.478 20 0 GEADRO CC[C@H](C[NH2+]Cc1cn(C)nc1I)C(=O)OC(C)(C)C ZINC000922598405 654402701 /nfs/dbraw/zinc/40/27/01/654402701.db2.gz FXHLCNHVRYVWTK-SNVBAGLBSA-N 1 0 393.269 2.482 20 0 GEADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000872888228 654403193 /nfs/dbraw/zinc/40/31/93/654403193.db2.gz APTOMWAXLCDEAH-MRXNPFEDSA-N 1 0 395.345 2.026 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2cnc(CCc3ccccc3)s2)CCS(=O)(=O)C1 ZINC000922616883 654403695 /nfs/dbraw/zinc/40/36/95/654403695.db2.gz ADNKOBXCWGEJAX-GOSISDBHSA-N 1 0 380.535 2.222 20 0 GEADRO CO[C@@]1(C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CCS(=O)(=O)C1 ZINC000922617144 654403773 /nfs/dbraw/zinc/40/37/73/654403773.db2.gz ZVNKJEKJVLOOST-QGZVFWFLSA-N 1 0 383.901 2.034 20 0 GEADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)C[C@H]1C(F)(F)F ZINC000893515845 654404989 /nfs/dbraw/zinc/40/49/89/654404989.db2.gz WVOUUHFDVORPBU-IGQOVBAYSA-N 1 0 385.448 2.454 20 0 GEADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Br)nn1C ZINC000922686992 654407588 /nfs/dbraw/zinc/40/75/88/654407588.db2.gz OYKMHUDJFCXRCA-UHFFFAOYSA-N 1 0 386.315 2.309 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000893543792 654407644 /nfs/dbraw/zinc/40/76/44/654407644.db2.gz WYKZSBYPPAZBBN-ZDUSSCGKSA-N 1 0 389.315 2.253 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922695408 654408384 /nfs/dbraw/zinc/40/83/84/654408384.db2.gz DAOUFXFGZWLCSR-YSVLISHTSA-N 1 0 387.933 2.253 20 0 GEADRO Fc1cccc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1I ZINC000922725737 654410185 /nfs/dbraw/zinc/41/01/85/654410185.db2.gz MEAFGKQMNLMFER-WZRBSPASSA-N 1 0 377.197 2.324 20 0 GEADRO CNC(=O)CN1CCC([NH2+]Cc2c(Br)c3ccccc3n2C)CC1 ZINC000873012840 654410234 /nfs/dbraw/zinc/41/02/34/654410234.db2.gz OFUOWPMGSXHSAT-UHFFFAOYSA-N 1 0 393.329 2.241 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(Br)n1 ZINC000922788365 654413341 /nfs/dbraw/zinc/41/33/41/654413341.db2.gz BRTADFLFTDHKRN-XYYAHUGASA-N 1 0 385.306 2.385 20 0 GEADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@]1(C)CCCCO1 ZINC000922816967 654414907 /nfs/dbraw/zinc/41/49/07/654414907.db2.gz LTSWZCDOLLUSJG-CZUORRHYSA-N 1 0 375.922 2.253 20 0 GEADRO CCSc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873105052 654415300 /nfs/dbraw/zinc/41/53/00/654415300.db2.gz SFCLCKRETVZIOP-MFKMUULPSA-N 1 0 375.416 2.333 20 0 GEADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000873101816 654415396 /nfs/dbraw/zinc/41/53/96/654415396.db2.gz YXSCMIYUFNXPDI-GFCCVEGCSA-N 1 0 386.279 2.207 20 0 GEADRO CSc1c(F)cccc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873106188 654415623 /nfs/dbraw/zinc/41/56/23/654415623.db2.gz FXBZJEQBGHQCBK-IUCAKERBSA-N 1 0 379.379 2.082 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)n2)s1 ZINC000873109337 654415993 /nfs/dbraw/zinc/41/59/93/654415993.db2.gz MMJKUIVBEDRFEI-APPDUMDISA-N 1 0 376.507 2.186 20 0 GEADRO COCC[N@H+](C)CCCNC(=O)C(F)(F)c1ncccc1Br ZINC000906123698 654417628 /nfs/dbraw/zinc/41/76/28/654417628.db2.gz MNPGZMIRTAAPRN-UHFFFAOYSA-N 1 0 380.233 2.020 20 0 GEADRO O[C@@]1(CC[NH2+]Cc2cccc(F)c2I)CCCOC1 ZINC000873132940 654418039 /nfs/dbraw/zinc/41/80/39/654418039.db2.gz LELPXCDMTSXZMF-CQSZACIVSA-N 1 0 379.213 2.452 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000855414984 654418166 /nfs/dbraw/zinc/41/81/66/654418166.db2.gz OYOICVKWOGGUNY-UHFFFAOYSA-N 1 0 380.842 2.296 20 0 GEADRO CN(CCC[NH+](C)C)CCNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855415000 654418183 /nfs/dbraw/zinc/41/81/83/654418183.db2.gz PILKLYVDRVCPMZ-INIZCTEOSA-N 1 0 376.328 2.417 20 0 GEADRO C[C@@H](CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)[NH+](C)C ZINC000855413553 654418196 /nfs/dbraw/zinc/41/81/96/654418196.db2.gz NCDRULQSXVPEDX-LBPRGKRZSA-N 1 0 389.949 2.487 20 0 GEADRO O=C1OCC[C@H]1CCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000873160044 654419982 /nfs/dbraw/zinc/41/99/82/654419982.db2.gz JLWYNHDXZYNIEY-GFCCVEGCSA-N 1 0 379.258 2.463 20 0 GEADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1Cl ZINC000873177757 654421058 /nfs/dbraw/zinc/42/10/58/654421058.db2.gz DSPNLMKENYPOAT-CQSZACIVSA-N 1 0 389.304 2.334 20 0 GEADRO CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000855491293 654421701 /nfs/dbraw/zinc/42/17/01/654421701.db2.gz ZMNYCHSWGXYRGN-AWEZNQCLSA-N 1 0 387.933 2.147 20 0 GEADRO Cn1ncc(I)c1C[NH2+]CCc1c(F)cc(O)cc1F ZINC000922975995 654422798 /nfs/dbraw/zinc/42/27/98/654422798.db2.gz AQBWDZPRGOEDQL-UHFFFAOYSA-N 1 0 393.175 2.341 20 0 GEADRO CN(C(=O)Cc1cc2c(cc1Br)OCCO2)c1cc(C[NH3+])ccn1 ZINC000906228369 654422804 /nfs/dbraw/zinc/42/28/04/654422804.db2.gz VZRSXPWEHFJMPK-UHFFFAOYSA-N 1 0 392.253 2.280 20 0 GEADRO COc1cc(Br)c(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c(OC)c1 ZINC000922996393 654423581 /nfs/dbraw/zinc/42/35/81/654423581.db2.gz VRMSAQTWACKXER-SNVBAGLBSA-N 1 0 381.274 2.242 20 0 GEADRO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1c(I)cnn1C ZINC000873276329 654423632 /nfs/dbraw/zinc/42/36/32/654423632.db2.gz OOTCFURDTNPKQJ-VIFPVBQESA-N 1 0 385.253 2.038 20 0 GEADRO CNC(=O)c1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000873302595 654424035 /nfs/dbraw/zinc/42/40/35/654424035.db2.gz FBLQKSMFXNMPQD-LDYMZIIASA-N 1 0 378.782 2.301 20 0 GEADRO CNC(=O)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000873302594 654424096 /nfs/dbraw/zinc/42/40/96/654424096.db2.gz FBLQKSMFXNMPQD-KWQFWETISA-N 1 0 378.782 2.301 20 0 GEADRO COC(=O)c1ccc(CNC(=O)NCC2([NH+](C)C)CC2)c(Br)c1 ZINC000922998022 654424025 /nfs/dbraw/zinc/42/40/25/654424025.db2.gz GDGZWENPDROKTG-UHFFFAOYSA-N 1 0 384.274 2.129 20 0 GEADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873312934 654424434 /nfs/dbraw/zinc/42/44/34/654424434.db2.gz IECZYCCXLMZZIP-MGPLVRAMSA-N 1 0 382.258 2.309 20 0 GEADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873322782 654424749 /nfs/dbraw/zinc/42/47/49/654424749.db2.gz KUDYFUWOBRKZLN-BLLLJJGKSA-N 1 0 391.273 2.436 20 0 GEADRO Cn1nc(Br)nc1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCOCC2 ZINC000923035679 654425666 /nfs/dbraw/zinc/42/56/66/654425666.db2.gz GHBPQDBXCMFGCD-NEPJUHHUSA-N 1 0 387.322 2.420 20 0 GEADRO COc1cc(Br)c(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)cc1OC ZINC000923026415 654425710 /nfs/dbraw/zinc/42/57/10/654425710.db2.gz XMHAJSRFDWLCST-JKSUJKDBSA-N 1 0 386.286 2.486 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000855638613 654430670 /nfs/dbraw/zinc/43/06/70/654430670.db2.gz NZUDGHBCXJPXDA-UHFFFAOYSA-N 1 0 387.933 2.050 20 0 GEADRO CC(C)[NH+]1CCC(N(C)Cc2cn(C)nc2I)CC1 ZINC000893918369 654431647 /nfs/dbraw/zinc/43/16/47/654431647.db2.gz BWPJXFKLHYMWSM-UHFFFAOYSA-N 1 0 376.286 2.329 20 0 GEADRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]C[C@H]1C[C@]1(C)Br)CC2 ZINC000893924774 654432003 /nfs/dbraw/zinc/43/20/03/654432003.db2.gz KUOMGKQBEQYGJU-XNJGSVPQSA-N 1 0 383.334 2.347 20 0 GEADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CC1(O)CCOCC1 ZINC000906441772 654437732 /nfs/dbraw/zinc/43/77/32/654437732.db2.gz ZJQVYZNHDUJOHJ-UHFFFAOYSA-N 1 0 399.329 2.271 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1nscc1I ZINC000923262104 654440054 /nfs/dbraw/zinc/44/00/54/654440054.db2.gz JTTONMZZFBVOKS-DTWKUNHWSA-N 1 0 377.251 2.056 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000923274133 654440725 /nfs/dbraw/zinc/44/07/25/654440725.db2.gz OSVRWQVMOUEVNT-UONOGXRCSA-N 1 0 390.285 2.339 20 0 GEADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000894031804 654441174 /nfs/dbraw/zinc/44/11/74/654441174.db2.gz LQRUIMJWLYODEV-GUTXKFCHSA-N 1 0 390.343 2.013 20 0 GEADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)cc1Cl ZINC000894032204 654441213 /nfs/dbraw/zinc/44/12/13/654441213.db2.gz VQBBLBARPYSDBY-KBPBESRZSA-N 1 0 377.865 2.467 20 0 GEADRO CN1CC[N@H+](C)CC(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000906475098 654442056 /nfs/dbraw/zinc/44/20/56/654442056.db2.gz GNSWLEJERCESBU-UHFFFAOYSA-N 1 0 382.961 2.325 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923297306 654442096 /nfs/dbraw/zinc/44/20/96/654442096.db2.gz HBTOCLNHHNHTRA-CQSZACIVSA-N 1 0 382.302 2.006 20 0 GEADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnnn1-c1ccccc1Br ZINC000923315610 654443123 /nfs/dbraw/zinc/44/31/23/654443123.db2.gz KJBTXKAJEBHAFT-QWHCGFSZSA-N 1 0 390.285 2.339 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000873653827 654444787 /nfs/dbraw/zinc/44/47/87/654444787.db2.gz GXDQWKIHZVAXEL-UHFFFAOYSA-N 1 0 384.274 2.047 20 0 GEADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873654157 654444797 /nfs/dbraw/zinc/44/47/97/654444797.db2.gz KANHNBSFHANCPR-UHFFFAOYSA-N 1 0 393.285 2.392 20 0 GEADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000923355210 654445848 /nfs/dbraw/zinc/44/58/48/654445848.db2.gz HPOVJIKCGKLPLT-ZFWWWQNUSA-N 1 0 385.295 2.113 20 0 GEADRO Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000923355507 654446117 /nfs/dbraw/zinc/44/61/17/654446117.db2.gz NARBSXGEYYYRKC-IUODEOHRSA-N 1 0 385.295 2.113 20 0 GEADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000906522393 654446261 /nfs/dbraw/zinc/44/62/61/654446261.db2.gz JBFHVOZOYXSHIA-CQSZACIVSA-N 1 0 380.286 2.256 20 0 GEADRO O[C@@H](COc1ccc(Cl)cc1Br)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923359636 654446457 /nfs/dbraw/zinc/44/64/57/654446457.db2.gz ABBCOBLQQSLTJH-QKCSRTOESA-N 1 0 375.694 2.136 20 0 GEADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC[C@H]1CC1(Cl)Cl)C2 ZINC000923369211 654447035 /nfs/dbraw/zinc/44/70/35/654447035.db2.gz ITHWHJCHCLTNFZ-ADVQIIOHSA-N 1 0 378.344 2.349 20 0 GEADRO Fc1ccc([C@H]2CN(C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)cc1Br ZINC000923370904 654447498 /nfs/dbraw/zinc/44/74/98/654447498.db2.gz KSEIKGCSAQSRFR-CZUORRHYSA-N 1 0 385.277 2.340 20 0 GEADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873693012 654449539 /nfs/dbraw/zinc/44/95/39/654449539.db2.gz VPRSAHLGZKAQON-NSHDSACASA-N 1 0 398.301 2.437 20 0 GEADRO Cn1cc(C[NH2+]C[C@@H]2COc3ccccc3C2)c(I)n1 ZINC000894137135 654449710 /nfs/dbraw/zinc/44/97/10/654449710.db2.gz MDOBHZNXSNPDLE-LLVKDONJSA-N 1 0 383.233 2.366 20 0 GEADRO CC(C)C[N@@H+]1CCO[C@@H](CNCc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894141857 654450117 /nfs/dbraw/zinc/45/01/17/654450117.db2.gz WLTALCOZUNQRBG-AWEZNQCLSA-N 1 0 388.965 2.080 20 0 GEADRO O=C(CN1CCC[C@@H]([NH2+]CCO)C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000923404209 654450221 /nfs/dbraw/zinc/45/02/21/654450221.db2.gz XNCKNSNWMCZDOP-GFCCVEGCSA-N 1 0 379.810 2.344 20 0 GEADRO Cn1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(I)n1 ZINC000894151030 654450828 /nfs/dbraw/zinc/45/08/28/654450828.db2.gz WZDHORPQORSOAX-OAHLLOKOSA-N 1 0 396.276 2.389 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000873703737 654450865 /nfs/dbraw/zinc/45/08/65/654450865.db2.gz OQQJZNLBSNBCEC-UHFFFAOYSA-N 1 0 398.301 2.339 20 0 GEADRO Cn1cc(C[NH2+]CCCNC(=O)OC(C)(C)C)c(I)n1 ZINC000894241386 654458152 /nfs/dbraw/zinc/45/81/52/654458152.db2.gz YCMFUUMWIGVNCJ-UHFFFAOYSA-N 1 0 394.257 2.029 20 0 GEADRO COc1ccc([C@@H](O)C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1 ZINC000894165133 654451687 /nfs/dbraw/zinc/45/16/87/654451687.db2.gz IMLZFAABGGBFRJ-AWEZNQCLSA-N 1 0 383.901 2.465 20 0 GEADRO Cc1cc(Br)c(CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)s1 ZINC000906603673 654453015 /nfs/dbraw/zinc/45/30/15/654453015.db2.gz YDGYGCHDDRPURA-ZIAGYGMSSA-N 1 0 387.343 2.419 20 0 GEADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000873716502 654453087 /nfs/dbraw/zinc/45/30/87/654453087.db2.gz LQDJZUUSGVOFKI-HNNXBMFYSA-N 1 0 396.285 2.047 20 0 GEADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnc3ccccc3c2Br)C1 ZINC000873720795 654454183 /nfs/dbraw/zinc/45/41/83/654454183.db2.gz SEEJWUVMADSCKK-LLVKDONJSA-N 1 0 391.269 2.004 20 0 GEADRO C[C@H](CNCc1cn(C)nc1I)C[NH+]1CCCCC1 ZINC000894195600 654454317 /nfs/dbraw/zinc/45/43/17/654454317.db2.gz KVQQLBKWJXLONS-GFCCVEGCSA-N 1 0 376.286 2.236 20 0 GEADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923480759 654455072 /nfs/dbraw/zinc/45/50/72/654455072.db2.gz RSQDGZDLVAVYBC-BONVTDFDSA-N 1 0 379.810 2.471 20 0 GEADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1c(I)cnn1C ZINC000894201083 654455168 /nfs/dbraw/zinc/45/51/68/654455168.db2.gz VJOKSTUDIOLLGJ-NWDGAFQWSA-N 1 0 376.286 2.235 20 0 GEADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000906647989 654456315 /nfs/dbraw/zinc/45/63/15/654456315.db2.gz KKLTUOYPSQHPFD-LBPRGKRZSA-N 1 0 387.735 2.259 20 0 GEADRO CN(CC[NH2+]C[C@H]1C[C@@]1(C)Br)S(=O)(=O)c1ccc(F)cc1 ZINC000894222207 654457392 /nfs/dbraw/zinc/45/73/92/654457392.db2.gz RRSINTMSAPTBAN-BXUZGUMPSA-N 1 0 379.295 2.209 20 0 GEADRO C[C@H]1C[N@H+](CC(=O)Nc2ccc(I)cc2)CC[C@H]1C[NH3+] ZINC000923506002 654457574 /nfs/dbraw/zinc/45/75/74/654457574.db2.gz DUZULQDYDUODLG-RYUDHWBXSA-N 1 0 387.265 2.146 20 0 GEADRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(I)cc2)CC[C@@H]1C[NH3+] ZINC000923506004 654457709 /nfs/dbraw/zinc/45/77/09/654457709.db2.gz DUZULQDYDUODLG-VXGBXAGGSA-N 1 0 387.265 2.146 20 0 GEADRO C[C@@H]1CN(CC(=O)Nc2ccccc2I)CC[C@H]1C[NH3+] ZINC000923507906 654458099 /nfs/dbraw/zinc/45/80/99/654458099.db2.gz LDHGMAICILBUEB-NEPJUHHUSA-N 1 0 387.265 2.146 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2c(C)ccnc2N)s1 ZINC000894234186 654458198 /nfs/dbraw/zinc/45/81/98/654458198.db2.gz RRZGXLDCAHEXJY-UHFFFAOYSA-N 1 0 382.555 2.397 20 0 GEADRO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2C)nnn1-c1ccccc1Br ZINC000906676109 654459040 /nfs/dbraw/zinc/45/90/40/654459040.db2.gz JMEWQYZCEQTBJI-GFCCVEGCSA-N 1 0 378.274 2.162 20 0 GEADRO CSc1ccc2cc(CN3CC[NH2+][C@@H]4CS(=O)(=O)C[C@@H]43)c(Cl)nc2c1 ZINC000923522630 654459694 /nfs/dbraw/zinc/45/96/94/654459694.db2.gz DPBWCPYUUCOKGX-CVEARBPZSA-N 1 0 397.953 2.181 20 0 GEADRO Cn1cc(C[NH2+][C@](C)(CO)C2CCCCC2)c(I)n1 ZINC000894277539 654461449 /nfs/dbraw/zinc/46/14/49/654461449.db2.gz CXUHQKYIEFYVTA-CQSZACIVSA-N 1 0 377.270 2.446 20 0 GEADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000906702292 654462580 /nfs/dbraw/zinc/46/25/80/654462580.db2.gz XOOFWEFJAIHSCD-JTQLQIEISA-N 1 0 392.656 2.294 20 0 GEADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906707217 654463333 /nfs/dbraw/zinc/46/33/33/654463333.db2.gz FTNBZCIGIPGXNC-LBPRGKRZSA-N 1 0 382.302 2.360 20 0 GEADRO CC(C)n1cc(Br)c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000906706747 654463383 /nfs/dbraw/zinc/46/33/83/654463383.db2.gz ATGABRLFBGKYOB-CQSZACIVSA-N 1 0 398.349 2.079 20 0 GEADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cn(C)nc1I ZINC000894311329 654463977 /nfs/dbraw/zinc/46/39/77/654463977.db2.gz ZKIPRNPPDFNTAG-SECBINFHSA-N 1 0 387.269 2.096 20 0 GEADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1c(I)cnn1C ZINC000894310449 654464244 /nfs/dbraw/zinc/46/42/44/654464244.db2.gz RYGIZDIEISGDAJ-SECBINFHSA-N 1 0 387.269 2.096 20 0 GEADRO O=S(=O)(CCN1CC[C@@]2(C1)CCCC[NH2+]2)c1ccc(Br)cc1 ZINC000923536138 654464503 /nfs/dbraw/zinc/46/45/03/654464503.db2.gz IMXZNBYCSCLDOS-MRXNPFEDSA-N 1 0 387.343 2.441 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000906736479 654466112 /nfs/dbraw/zinc/46/61/12/654466112.db2.gz AZBQPRZKCLEVLU-GFCCVEGCSA-N 1 0 384.274 2.045 20 0 GEADRO Cc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000894337533 654466641 /nfs/dbraw/zinc/46/66/41/654466641.db2.gz IJDJOSYPTOJQEU-IAGOWNOFSA-N 1 0 396.329 2.498 20 0 GEADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000906742240 654466951 /nfs/dbraw/zinc/46/69/51/654466951.db2.gz SCRCEMLCMPWTMV-LJGSYFOKSA-N 1 0 378.629 2.034 20 0 GEADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnc3ccccc3c2Br)CC1 ZINC000873812010 654468024 /nfs/dbraw/zinc/46/80/24/654468024.db2.gz YXMFBQWFEPMMET-UHFFFAOYSA-N 1 0 391.269 2.100 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C2 ZINC000906751791 654468048 /nfs/dbraw/zinc/46/80/48/654468048.db2.gz DOKFPBJIDUGHLO-KDDOJWQBSA-N 1 0 386.677 2.379 20 0 GEADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C2 ZINC000906754798 654468399 /nfs/dbraw/zinc/46/83/99/654468399.db2.gz GTPUDWLWXOIAOU-NGZCFLSTSA-N 1 0 386.677 2.379 20 0 GEADRO C[C@@H]([NH2+]Cc1c(I)cnn1C)[C@@H](O)Cc1ccccc1 ZINC000894357847 654469007 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C[C@@H](NC(=O)Cc1cc(Br)ccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000906779109 654471410 /nfs/dbraw/zinc/47/14/10/654471410.db2.gz NNXMLTMYJWCTFF-IAQYHMDHSA-N 1 0 388.737 2.396 20 0 GEADRO COc1cccc([C@H](CNC(=O)c2cc(N)nc(Br)c2)[NH+](C)C)c1 ZINC000873842577 654471853 /nfs/dbraw/zinc/47/18/53/654471853.db2.gz GIRRULVUYOLHDX-AWEZNQCLSA-N 1 0 393.285 2.468 20 0 GEADRO Cn1nc(Br)nc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000894391867 654472134 /nfs/dbraw/zinc/47/21/34/654472134.db2.gz HATIIPHBPUKYSM-UHFFFAOYSA-N 1 0 379.287 2.428 20 0 GEADRO COc1ccc(Br)cc1C1(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923649591 654473440 /nfs/dbraw/zinc/47/34/40/654473440.db2.gz AHONNQOERJHBHL-GFCCVEGCSA-N 1 0 389.315 2.118 20 0 GEADRO COc1c(F)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000923661009 654474179 /nfs/dbraw/zinc/47/41/79/654474179.db2.gz HOGOWSOFLMUIHO-WCBMZHEXSA-N 1 0 388.358 2.121 20 0 GEADRO C[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1cc(F)c(Br)cc1F ZINC000923659413 654474305 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GEADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000873882242 654477150 /nfs/dbraw/zinc/47/71/50/654477150.db2.gz CPPLZAHFHRIUAY-ZETCQYMHSA-N 1 0 380.645 2.246 20 0 GEADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(Br)s1)CC2 ZINC000923687717 654477304 /nfs/dbraw/zinc/47/73/04/654477304.db2.gz ZRZSREWMRVNPLO-JTQLQIEISA-N 1 0 395.344 2.029 20 0 GEADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873885920 654477479 /nfs/dbraw/zinc/47/74/79/654477479.db2.gz JFSFQZPMMGKAAR-NSHDSACASA-N 1 0 398.301 2.167 20 0 GEADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@@H](CC[NH3+])C3)ccc2s1 ZINC000923697317 654478320 /nfs/dbraw/zinc/47/83/20/654478320.db2.gz MKKIQQLWJSWLNX-GFCCVEGCSA-N 1 0 382.507 2.437 20 0 GEADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC000923704087 654479657 /nfs/dbraw/zinc/47/96/57/654479657.db2.gz RMPVEDYHDSPGSK-CMPLNLGQSA-N 1 0 389.315 2.257 20 0 GEADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923705102 654479688 /nfs/dbraw/zinc/47/96/88/654479688.db2.gz VUIUWMSEBWLIRS-GHMZBOCLSA-N 1 0 377.304 2.063 20 0 GEADRO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCc2cc(Br)c(F)cc2C1 ZINC000923727868 654481101 /nfs/dbraw/zinc/48/11/01/654481101.db2.gz BLEQMWJDXGTPFZ-LBPRGKRZSA-N 1 0 377.279 2.028 20 0 GEADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CCO1 ZINC000856431013 654481218 /nfs/dbraw/zinc/48/12/18/654481218.db2.gz NUIMLIPHUJMQGS-RDJZCZTQSA-N 1 0 397.313 2.322 20 0 GEADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000923736395 654481733 /nfs/dbraw/zinc/48/17/33/654481733.db2.gz KJVYWYLYFYCHBO-BDAKNGLRSA-N 1 0 381.267 2.003 20 0 GEADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c(C)c1Cl ZINC000923737141 654481860 /nfs/dbraw/zinc/48/18/60/654481860.db2.gz XBLMWFSGZWIGFU-HNNXBMFYSA-N 1 0 392.930 2.403 20 0 GEADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c1F ZINC000923737951 654482324 /nfs/dbraw/zinc/48/23/24/654482324.db2.gz AOULXYYTGKNOBS-BDAKNGLRSA-N 1 0 381.267 2.003 20 0 GEADRO Cc1cc(S(=O)(=O)N2C[C@H](C[C@H]3COCC[NH2+]3)c3ccccc32)sn1 ZINC000923745707 654482697 /nfs/dbraw/zinc/48/26/97/654482697.db2.gz WIESTYBJJSAADO-KBPBESRZSA-N 1 0 379.507 2.123 20 0 GEADRO COC(=O)c1csc(S(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)c1 ZINC000923745315 654482712 /nfs/dbraw/zinc/48/27/12/654482712.db2.gz MKQQSVQGULUNGT-GFCCVEGCSA-N 1 0 380.491 2.251 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)COC(=O)COC1CC[NH+](C)CC1 ZINC000923792943 654483872 /nfs/dbraw/zinc/48/38/72/654483872.db2.gz RRQWKIFHAOFLMZ-UHFFFAOYSA-N 1 0 399.285 2.350 20 0 GEADRO C[NH+](C)[C@]1(CNC(=O)C(F)(F)c2ncccc2Br)CCSC1 ZINC000906899692 654484638 /nfs/dbraw/zinc/48/46/38/654484638.db2.gz BKXFAKCEPFDHNA-ZDUSSCGKSA-N 1 0 394.285 2.489 20 0 GEADRO Cn1cc(C[NH2+]C[C@](C)(O)C2CCCCC2)c(I)n1 ZINC000894545711 654484849 /nfs/dbraw/zinc/48/48/49/654484849.db2.gz VFSAGBFFPRKPJX-AWEZNQCLSA-N 1 0 377.270 2.446 20 0 GEADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000873935296 654485166 /nfs/dbraw/zinc/48/51/66/654485166.db2.gz YDIHLIGAXIACFB-UHFFFAOYSA-N 1 0 398.301 2.341 20 0 GEADRO CCN(C(=O)C(=O)Nc1cc(C(C)=O)ccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000873939408 654485560 /nfs/dbraw/zinc/48/55/60/654485560.db2.gz BCCCBDUAQRLAAQ-CYBMUJFWSA-N 1 0 396.285 2.143 20 0 GEADRO COC1CC[NH+](CCNC(=O)COc2ccc(Br)c(C)c2)CC1 ZINC000906930443 654489184 /nfs/dbraw/zinc/48/91/84/654489184.db2.gz JDFXGGPWUXLHCC-UHFFFAOYSA-N 1 0 385.302 2.363 20 0 GEADRO Cn1nc(Br)nc1CNC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000894601632 654489529 /nfs/dbraw/zinc/48/95/29/654489529.db2.gz DVGKGUDAAAHSKG-UHFFFAOYSA-N 1 0 396.255 2.473 20 0 GEADRO O=C(NCc1ccsc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000894648081 654492314 /nfs/dbraw/zinc/49/23/14/654492314.db2.gz DTZKLIHGZLXIBT-CHWSQXEVSA-N 1 0 388.331 2.251 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000894660729 654492773 /nfs/dbraw/zinc/49/27/73/654492773.db2.gz HMAWPNFTQGOFRM-SJORKVTESA-N 1 0 382.302 2.312 20 0 GEADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCCN1CCCO ZINC000894667915 654493274 /nfs/dbraw/zinc/49/32/74/654493274.db2.gz MHKRCEKLLJNRBO-MRXNPFEDSA-N 1 0 384.318 2.344 20 0 GEADRO Cn1cc(C[NH2+][C@@H]2CCCC23CCOCC3)c(I)n1 ZINC000894668503 654493312 /nfs/dbraw/zinc/49/33/12/654493312.db2.gz RBDRJAWNGMQMCO-GFCCVEGCSA-N 1 0 375.254 2.464 20 0 GEADRO Cn1cc(Br)c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)cc1=O ZINC000923961966 654494281 /nfs/dbraw/zinc/49/42/81/654494281.db2.gz LLDUCAGZKXEKRQ-TXEJJXNPSA-N 1 0 392.257 2.053 20 0 GEADRO C[N@H+]1C[C@H]2CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C[C@H]2C1 ZINC000894689544 654494532 /nfs/dbraw/zinc/49/45/32/654494532.db2.gz IBEUUHMFNFAYQP-LZWOXQAQSA-N 1 0 379.302 2.498 20 0 GEADRO Cn1cc(C[NH+]2CCC3(CCOCC3)CC2)c(I)n1 ZINC000894693035 654494882 /nfs/dbraw/zinc/49/48/82/654494882.db2.gz PHAXZNUOBHVKQU-UHFFFAOYSA-N 1 0 375.254 2.417 20 0 GEADRO O=S(=O)(CC[NH2+]CCc1cccc(OC(F)(F)F)c1)C1CCOCC1 ZINC000894726775 654495469 /nfs/dbraw/zinc/49/54/69/654495469.db2.gz VUWWMOOJJZPLQG-UHFFFAOYSA-N 1 0 381.416 2.311 20 0 GEADRO Cn1ncc(I)c1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000894779344 654498535 /nfs/dbraw/zinc/49/85/35/654498535.db2.gz GQBJFPONDJDVGC-CYBMUJFWSA-N 1 0 388.297 2.188 20 0 GEADRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1nc(Br)nn1C ZINC000894869065 654503351 /nfs/dbraw/zinc/50/33/51/654503351.db2.gz NVQBGGVJZXUVCH-JTQLQIEISA-N 1 0 376.299 2.361 20 0 GEADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)oc1Cl ZINC000907071999 654506985 /nfs/dbraw/zinc/50/69/85/654506985.db2.gz ALERXAMDOPWMRL-GFCCVEGCSA-N 1 0 390.889 2.072 20 0 GEADRO C[C@H](NC(=O)Cc1cc(Br)ccc1Cl)[C@H]1CN(C)CCO1 ZINC000907071115 654507058 /nfs/dbraw/zinc/50/70/58/654507058.db2.gz NIZOGOZKNKEHNV-IINYFYTJSA-N 1 0 375.694 2.480 20 0 GEADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1 ZINC000924373722 654511552 /nfs/dbraw/zinc/51/15/52/654511552.db2.gz PXVDENWJFZASLK-UHFFFAOYSA-N 1 0 385.917 2.229 20 0 GEADRO CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000907145998 654514665 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391.269 2.132 20 0 GEADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC000927867714 654618386 /nfs/dbraw/zinc/61/83/86/654618386.db2.gz PXKKVWXZRMHVSF-UHFFFAOYSA-N 1 0 386.290 2.243 20 0 GEADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1cccc(Cl)c1Cl)CC2 ZINC000927876773 654619376 /nfs/dbraw/zinc/61/93/76/654619376.db2.gz QIHGXQJCQSROHY-LLVKDONJSA-N 1 0 386.279 2.288 20 0 GEADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000927886634 654619540 /nfs/dbraw/zinc/61/95/40/654619540.db2.gz QMWDQCIEOLLCBI-LBPRGKRZSA-N 1 0 398.301 2.372 20 0 GEADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[C@H]1C[NH3+] ZINC000927889524 654620053 /nfs/dbraw/zinc/62/00/53/654620053.db2.gz GCRVOHJIAGJYIW-BDAKNGLRSA-N 1 0 390.228 2.109 20 0 GEADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[C@H]1C[NH3+] ZINC000927889527 654620081 /nfs/dbraw/zinc/62/00/81/654620081.db2.gz GCRVOHJIAGJYIW-IUCAKERBSA-N 1 0 390.228 2.109 20 0 GEADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000927892255 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CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCCc3sccc3C2)CCC1 ZINC000929599418 654688480 /nfs/dbraw/zinc/68/84/80/654688480.db2.gz IXXZWICNCYTWJE-INIZCTEOSA-N 1 0 386.583 2.498 20 0 GEADRO C[C@@H]1CN(C(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)CC(C)(C)O1 ZINC000929614692 654688912 /nfs/dbraw/zinc/68/89/12/654688912.db2.gz SMQGJJCREWRDGF-CYBMUJFWSA-N 1 0 399.333 2.308 20 0 GEADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH+]2CCC(C(F)(F)F)CC2)CCC1 ZINC000929747883 654691491 /nfs/dbraw/zinc/69/14/91/654691491.db2.gz HDNVXPXJUOLNPF-ZDUSSCGKSA-N 1 0 386.480 2.262 20 0 GEADRO O[C@H](C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C[C@]1(O)CCOC1 ZINC000929835251 654692947 /nfs/dbraw/zinc/69/29/47/654692947.db2.gz AOMYUGIHEOZHRS-DXCKQFNASA-N 1 0 376.280 2.349 20 0 GEADRO O=C(Nc1nnc(-c2ccsc2)s1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929908714 654694774 /nfs/dbraw/zinc/69/47/74/654694774.db2.gz LOHHRWJVWKJZKM-CHWSQXEVSA-N 1 0 379.511 2.330 20 0 GEADRO CN(CC(C)(C)C[NH+](C)C)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000929922063 654695153 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ABJQELJHRCRVJX-FRRDWIJNSA-N 1 0 398.301 2.264 20 0 GEADRO Cc1cc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1Cl ZINC000911197065 654719495 /nfs/dbraw/zinc/71/94/95/654719495.db2.gz WUQUYQQDKYWQEW-YPMHNXCESA-N 1 0 377.794 2.003 20 0 GEADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1ccccc1SC(F)(F)F ZINC000911303584 654721799 /nfs/dbraw/zinc/72/17/99/654721799.db2.gz SICJTZHVGRATSI-PWSUYJOCSA-N 1 0 375.416 2.029 20 0 GEADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911308039 654721945 /nfs/dbraw/zinc/72/19/45/654721945.db2.gz NFGITVKPLQPRCH-GJZGRUSLSA-N 1 0 397.317 2.141 20 0 GEADRO Cc1nc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000930856068 654722212 /nfs/dbraw/zinc/72/22/12/654722212.db2.gz SCTSURXPIYBGAI-KBPBESRZSA-N 1 0 383.290 2.215 20 0 GEADRO COc1cc(C)c(Br)cc1NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000930861064 654722409 /nfs/dbraw/zinc/72/24/09/654722409.db2.gz CDUNCHUYAYIDTM-UHFFFAOYSA-N 1 0 386.290 2.344 20 0 GEADRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000911347042 654722838 /nfs/dbraw/zinc/72/28/38/654722838.db2.gz IFKFGSDGUGFTLD-ABAIWWIYSA-N 1 0 375.416 2.113 20 0 GEADRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000911347045 654722863 /nfs/dbraw/zinc/72/28/63/654722863.db2.gz IFKFGSDGUGFTLD-XHDPSFHLSA-N 1 0 375.416 2.113 20 0 GEADRO O[C@H](CCC1(O)CCC1)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000930902587 654723278 /nfs/dbraw/zinc/72/32/78/654723278.db2.gz VTWFGAKQJNNXEX-CABCVRRESA-N 1 0 385.302 2.353 20 0 GEADRO CC[C@H]1CN(C(=O)C(=O)NCCc2cccc(Br)c2C)CC[C@@H]1[NH3+] ZINC000911425920 654723958 /nfs/dbraw/zinc/72/39/58/654723958.db2.gz CIKVXAIABWBTOT-BBRMVZONSA-N 1 0 396.329 2.002 20 0 GEADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911494288 654724866 /nfs/dbraw/zinc/72/48/66/654724866.db2.gz NZCCDRVZDPUUHQ-CJNGLKHVSA-N 1 0 396.329 2.430 20 0 GEADRO COc1ccc(Br)cc1C1(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000911496561 654724920 /nfs/dbraw/zinc/72/49/20/654724920.db2.gz LCDGJKTUYYWXAD-QGZVFWFLSA-N 1 0 397.313 2.410 20 0 GEADRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000911541503 654725662 /nfs/dbraw/zinc/72/56/62/654725662.db2.gz HDWQCRGWZVBIDN-APHBMKBZSA-N 1 0 375.519 2.348 20 0 GEADRO C[C@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1ccccc1I ZINC000931046254 654727716 /nfs/dbraw/zinc/72/77/16/654727716.db2.gz TYXYLGIJLLADNI-SMDDNHRTSA-N 1 0 387.265 2.254 20 0 GEADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1Br ZINC000931086102 654728688 /nfs/dbraw/zinc/72/86/88/654728688.db2.gz FODFNTVAZWEGHV-MFKMUULPSA-N 1 0 382.258 2.404 20 0 GEADRO C[C@H](NC(=O)c1cnnn1-c1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000911717096 654730399 /nfs/dbraw/zinc/73/03/99/654730399.db2.gz BKNQASWOYVMZIZ-NWDGAFQWSA-N 1 0 378.274 2.148 20 0 GEADRO [NH3+][C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)c1ccccc1 ZINC000911762306 654731524 /nfs/dbraw/zinc/73/15/24/654731524.db2.gz BWXFKGVRPLOPFF-HNNXBMFYSA-N 1 0 376.254 2.376 20 0 GEADRO OC[C@]1([NH2+]C[C@@H]2CCC3(COC3)O2)CCc2cc(Br)ccc2C1 ZINC000931175040 654731946 /nfs/dbraw/zinc/73/19/46/654731946.db2.gz CLGCFBYWOJJZKL-IRXDYDNUSA-N 1 0 382.298 2.207 20 0 GEADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000911822962 654733202 /nfs/dbraw/zinc/73/32/02/654733202.db2.gz KUSDKFMACVFZBX-RYUDHWBXSA-N 1 0 378.274 2.229 20 0 GEADRO C[C@@H]1CCCN(C(=O)C[C@H]2c3cc(Br)ccc3NC2=O)[C@H]1C[NH3+] ZINC000911825276 654733238 /nfs/dbraw/zinc/73/32/38/654733238.db2.gz NTTZPDAHKIQUDV-DGFSRKRXSA-N 1 0 380.286 2.461 20 0 GEADRO CC[NH2+]CC1CCN(C(=O)[C@@H](N)c2cc(Br)ccc2OC)CC1 ZINC000911863845 654734599 /nfs/dbraw/zinc/73/45/99/654734599.db2.gz JFHMAXUYWWGKBK-INIZCTEOSA-N 1 0 384.318 2.306 20 0 GEADRO CCOc1ccc(Br)c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1F ZINC000911881567 654734969 /nfs/dbraw/zinc/73/49/69/654734969.db2.gz FPOWEUCIRAUJEG-BXKDBHETSA-N 1 0 375.238 2.175 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000911931821 654736435 /nfs/dbraw/zinc/73/64/35/654736435.db2.gz CZHAYSFOYIIOQX-UHFFFAOYSA-N 1 0 377.229 2.256 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000911933794 654736613 /nfs/dbraw/zinc/73/66/13/654736613.db2.gz QTTHQJAQQQMQHI-FGTMMUONSA-N 1 0 393.325 2.250 20 0 GEADRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3csc(-c4ccc(S(C)(=O)=O)cc4)n3)C[C@H]21 ZINC000931279184 654736962 /nfs/dbraw/zinc/73/69/62/654736962.db2.gz BFUJQVGFJLEUOM-FVQHAEBGSA-N 1 0 377.535 2.205 20 0 GEADRO C[NH+]1CCC(N(CCO)C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000911945400 654737148 /nfs/dbraw/zinc/73/71/48/654737148.db2.gz JENWZGXCOSURSS-UHFFFAOYSA-N 1 0 391.256 2.456 20 0 GEADRO C[NH+](C)CCn1cc(NC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)cn1 ZINC000931345794 654738828 /nfs/dbraw/zinc/73/88/28/654738828.db2.gz WWHNJEJABGHYEA-MRXNPFEDSA-N 1 0 399.264 2.193 20 0 GEADRO Cc1ccc(NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)cc1I ZINC000911992764 654739026 /nfs/dbraw/zinc/73/90/26/654739026.db2.gz VQJKKUUBMNLFMA-OAHLLOKOSA-N 1 0 399.232 2.437 20 0 GEADRO Cc1nn(C)c(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1C(F)(F)F ZINC000931367579 654739486 /nfs/dbraw/zinc/73/94/86/654739486.db2.gz FPQRWPBNZYNAPE-WDEREUQCSA-N 1 0 377.436 2.449 20 0 GEADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000912041140 654740635 /nfs/dbraw/zinc/74/06/35/654740635.db2.gz VNZGMHVOGMYMGI-SJCJKPOMSA-N 1 0 380.286 2.154 20 0 GEADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000912049037 654741012 /nfs/dbraw/zinc/74/10/12/654741012.db2.gz UGXRLMSEGAQTAA-TXEJJXNPSA-N 1 0 378.274 2.100 20 0 GEADRO [NH3+]CCn1cc(Br)cc(C(=O)NCCc2cccc(Cl)c2)c1=O ZINC000912066483 654741855 /nfs/dbraw/zinc/74/18/55/654741855.db2.gz PNHNHPZVRYPUIS-UHFFFAOYSA-N 1 0 398.688 2.195 20 0 GEADRO Cc1ccc(-c2csc(NC(=O)C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@H]34)n2)s1 ZINC000912077495 654742302 /nfs/dbraw/zinc/74/23/02/654742302.db2.gz MIFGESYQMOESPH-JTNHKYCSSA-N 1 0 397.547 2.141 20 0 GEADRO Cc1ccc(NC(=O)CN2CC[NH+](CCCCCO)CC2)c(Br)c1 ZINC000931498039 654744128 /nfs/dbraw/zinc/74/41/28/654744128.db2.gz UYSZWIYMMXOXKP-UHFFFAOYSA-N 1 0 398.345 2.476 20 0 GEADRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(Br)c(CO)c2)CC1 ZINC000912165326 654744207 /nfs/dbraw/zinc/74/42/07/654744207.db2.gz HLQFKMOHEYSNNA-UHFFFAOYSA-N 1 0 384.318 2.296 20 0 GEADRO Cc1cnc(Br)c(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000931507836 654744703 /nfs/dbraw/zinc/74/47/03/654744703.db2.gz DZTRUUFJUXMZSO-ZIAGYGMSSA-N 1 0 383.290 2.215 20 0 GEADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2C[NH3+])s1 ZINC000912169598 654744897 /nfs/dbraw/zinc/74/48/97/654744897.db2.gz YKGHVENEWYSOQC-UHFFFAOYSA-N 1 0 381.523 2.167 20 0 GEADRO Cn1nc(Br)cc1NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000931520859 654745173 /nfs/dbraw/zinc/74/51/73/654745173.db2.gz WGSURIRSPINAOA-LBPRGKRZSA-N 1 0 381.278 2.392 20 0 GEADRO COC[C@@H]([NH2+]C[C@H]1CN=C(c2cnn(C)c2)O1)c1cccc(Br)c1 ZINC000931556622 654746537 /nfs/dbraw/zinc/74/65/37/654746537.db2.gz AQSPBKSLBSHBPB-JKSUJKDBSA-N 1 0 393.285 2.305 20 0 GEADRO [NH3+][C@H](CC(=O)NCCOCC(F)(F)F)Cc1ccc(Br)cc1 ZINC000912229302 654747027 /nfs/dbraw/zinc/74/70/27/654747027.db2.gz GQPNPJSRXABWIT-LBPRGKRZSA-N 1 0 383.208 2.404 20 0 GEADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)Nc1cccc(-c2cccs2)c1 ZINC000912273295 654748459 /nfs/dbraw/zinc/74/84/59/654748459.db2.gz DLSONECDDCCLNQ-FRFSOERESA-N 1 0 376.503 2.376 20 0 GEADRO COc1ccccc1C[C@](C)(CO)[NH2+]C[C@H](O)c1cc(Br)no1 ZINC000931599415 654748585 /nfs/dbraw/zinc/74/85/85/654748585.db2.gz CFNKSUVVMPBXFH-BLLLJJGKSA-N 1 0 385.258 2.062 20 0 GEADRO CC(C)(C)[C@H]1CSCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000931597971 654748591 /nfs/dbraw/zinc/74/85/91/654748591.db2.gz YLERVAJIBOQIMP-OAHLLOKOSA-N 1 0 385.555 2.126 20 0 GEADRO COC1(OC)CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1O ZINC000931637952 654750351 /nfs/dbraw/zinc/75/03/51/654750351.db2.gz ZZWIEVFFXMDVFX-AWEZNQCLSA-N 1 0 377.268 2.378 20 0 GEADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC000912380958 654751782 /nfs/dbraw/zinc/75/17/82/654751782.db2.gz LDKINXJKGDRTEL-XIKOKIGWSA-N 1 0 382.291 2.420 20 0 GEADRO C[C@H]1CN(C(=O)C[NH2+][C@H](CO)c2ccc(Br)cc2)CC(C)(C)O1 ZINC000931690150 654753557 /nfs/dbraw/zinc/75/35/57/654753557.db2.gz LVNNFSAYFINVOQ-SWLSCSKDSA-N 1 0 385.302 2.098 20 0 GEADRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000912456023 654754604 /nfs/dbraw/zinc/75/46/04/654754604.db2.gz XJRLUPWRDCPDMY-UHFFFAOYSA-N 1 0 383.315 2.389 20 0 GEADRO CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000912453974 654754661 /nfs/dbraw/zinc/75/46/61/654754661.db2.gz JTXXTAWDKPVQOS-QGZVFWFLSA-N 1 0 387.571 2.029 20 0 GEADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 ZINC000912466093 654755907 /nfs/dbraw/zinc/75/59/07/654755907.db2.gz SHEVOJWSPXDVMR-SJLPKXTDSA-N 1 0 397.313 2.196 20 0 GEADRO CC[N@H+](CCNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)C1CC1 ZINC000931835693 654758656 /nfs/dbraw/zinc/75/86/56/654758656.db2.gz GUEKXWLLVFCPNM-CYBMUJFWSA-N 1 0 380.286 2.475 20 0 GEADRO 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CC(=O)N[C@H](CC(=O)N1CC[C@H]([NH+]2CCC2)C1)c1ccc(Br)cc1 ZINC000912923871 654774471 /nfs/dbraw/zinc/77/44/71/654774471.db2.gz LMJOBHQGQNNCCG-DLBZAZTESA-N 1 0 394.313 2.323 20 0 GEADRO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912922842 654774526 /nfs/dbraw/zinc/77/45/26/654774526.db2.gz QKRQDSNDGVEYNK-KGLIPLIRSA-N 1 0 392.297 2.109 20 0 GEADRO Cc1ccc(Br)c2cc(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)[nH]c21 ZINC000932527374 654780393 /nfs/dbraw/zinc/78/03/93/654780393.db2.gz UYBQSLIZEWSEML-LBPRGKRZSA-N 1 0 379.302 2.214 20 0 GEADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc(=O)[nH]cc1Br ZINC000932538503 654780588 /nfs/dbraw/zinc/78/05/88/654780588.db2.gz RNWOVTGMCCVORD-UHFFFAOYSA-N 1 0 398.301 2.315 20 0 GEADRO Cc1ccc(Br)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000932578242 654782583 /nfs/dbraw/zinc/78/25/83/654782583.db2.gz VBAGPHKINFBAHT-OAHLLOKOSA-N 1 0 395.345 2.393 20 0 GEADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000932671497 654785300 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GEADRO C[NH+](C)[C@@H](CNC(=O)NCc1cnc(Br)cn1)c1ccc(F)cc1 ZINC000914270946 654840765 /nfs/dbraw/zinc/84/07/65/654840765.db2.gz KILZWWZJMMUYBY-AWEZNQCLSA-N 1 0 396.264 2.480 20 0 GEADRO O=C(CC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO)Nc1cccc(Br)c1 ZINC000934265521 654841631 /nfs/dbraw/zinc/84/16/31/654841631.db2.gz YZTSBSYRVIILJB-SJORKVTESA-N 1 0 396.329 2.309 20 0 GEADRO C[C@H]1[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000914298012 654843037 /nfs/dbraw/zinc/84/30/37/654843037.db2.gz MTLAVBHDZMFXRD-FZMZJTMJSA-N 1 0 383.290 2.170 20 0 GEADRO CC[N@@H+]1CCC[C@@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000914315380 654844643 /nfs/dbraw/zinc/84/46/43/654844643.db2.gz QWXANNPOVNBPJE-CYBMUJFWSA-N 1 0 382.306 2.402 20 0 GEADRO O=C(Nc1c(Br)cnn1C1CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000934371170 654847168 /nfs/dbraw/zinc/84/71/68/654847168.db2.gz DQGFIBBZXGBWDM-UHFFFAOYSA-N 1 0 398.305 2.309 20 0 GEADRO CS[C@H]1CN(C(=O)Nc2c(Br)cnn2C2CC2)C[C@H]1[NH+](C)C ZINC000934374487 654847990 /nfs/dbraw/zinc/84/79/90/654847990.db2.gz VMEHOFJZJPXHIF-NEPJUHHUSA-N 1 0 388.335 2.490 20 0 GEADRO CS[C@H]1CN(S(=O)(=O)c2cccc3ccncc32)C[C@H]1[NH+]1CCCC1 ZINC000914390787 654850388 /nfs/dbraw/zinc/85/03/88/654850388.db2.gz MCDRMKBVWQCTTL-SJORKVTESA-N 1 0 377.535 2.435 20 0 GEADRO C[C@@](CO)([NH2+]Cc1ccc(OCC(N)=O)cc1)c1cccc(Br)c1 ZINC000934496671 654851246 /nfs/dbraw/zinc/85/12/46/654851246.db2.gz CFKDCHQVWIDSBS-SFHVURJKSA-N 1 0 393.281 2.311 20 0 GEADRO O=C(NCc1ncc(Br)cn1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000914436128 654854480 /nfs/dbraw/zinc/85/44/80/654854480.db2.gz PPVKFJNOQWDFOE-ZDUSSCGKSA-N 1 0 382.306 2.160 20 0 GEADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000934748120 654857655 /nfs/dbraw/zinc/85/76/55/654857655.db2.gz VSEDARMLRSKPLA-XELLLNAOSA-N 1 0 395.438 2.221 20 0 GEADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000934748282 654857672 /nfs/dbraw/zinc/85/76/72/654857672.db2.gz CGSDOLVSSKCWLU-RUZDIDTESA-N 1 0 395.438 2.487 20 0 GEADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cn4ncnc34)CC[C@H]21 ZINC000934888330 654864672 /nfs/dbraw/zinc/86/46/72/654864672.db2.gz CQICOSDWEKZRBE-BXUZGUMPSA-N 1 0 378.274 2.048 20 0 GEADRO O=C(NCc1noc(-c2cccs2)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000915211172 654865730 /nfs/dbraw/zinc/86/57/30/654865730.db2.gz TWGSEYUCCJSADP-VXGBXAGGSA-N 1 0 379.511 2.177 20 0 GEADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@H](C)C[NH+]1CCCCC1 ZINC000915228495 654866019 /nfs/dbraw/zinc/86/60/19/654866019.db2.gz XPEXDHWCALLUBL-HIFRSBDPSA-N 1 0 388.965 2.169 20 0 GEADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1ccsc1Br ZINC000915288041 654867690 /nfs/dbraw/zinc/86/76/90/654867690.db2.gz ILXKXMZBKDPFNX-ZDUSSCGKSA-N 1 0 379.345 2.416 20 0 GEADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)cn3ncnc23)C1 ZINC000934952879 654868013 /nfs/dbraw/zinc/86/80/13/654868013.db2.gz VWBVPHBUMPNEJG-RISCZKNCSA-N 1 0 378.274 2.048 20 0 GEADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ncc(Br)cn3)nc2)C1 ZINC000935005267 654870280 /nfs/dbraw/zinc/87/02/80/654870280.db2.gz CONJMANWNNDUMF-CYBMUJFWSA-N 1 0 391.273 2.027 20 0 GEADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000915625861 654875320 /nfs/dbraw/zinc/87/53/20/654875320.db2.gz BUGVOTAAWMYUFB-CQSZACIVSA-N 1 0 385.302 2.465 20 0 GEADRO CS[C@@H]1CN(C(=O)c2ccc3c(Br)cnn3c2)C[C@@H]1[NH+](C)C ZINC000935112695 654876499 /nfs/dbraw/zinc/87/64/99/654876499.db2.gz GOHXJSLTHZWGLB-UONOGXRCSA-N 1 0 383.315 2.214 20 0 GEADRO Cc1ccc(Br)c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1 ZINC000935159059 654879116 /nfs/dbraw/zinc/87/91/16/654879116.db2.gz YWPSKMFIEKNVNV-CJNGLKHVSA-N 1 0 395.345 2.251 20 0 GEADRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)oc1Br ZINC000935157546 654879137 /nfs/dbraw/zinc/87/91/37/654879137.db2.gz SWUPGVJNHSWKDS-KGLIPLIRSA-N 1 0 384.318 2.449 20 0 GEADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3cccc(F)c3Br)[C@@H]2C1 ZINC000915833307 654880191 /nfs/dbraw/zinc/88/01/91/654880191.db2.gz ASXPERYKDAYRFA-ZWNOBZJWSA-N 1 0 377.279 2.054 20 0 GEADRO C[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)[C@@H](C)C[N@@H+]1C ZINC000935189179 654880900 /nfs/dbraw/zinc/88/09/00/654880900.db2.gz HODAKRNPHQCPAM-MDZLAQPJSA-N 1 0 380.286 2.426 20 0 GEADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000916054556 654886374 /nfs/dbraw/zinc/88/63/74/654886374.db2.gz TUWPADUZEHFNCE-CYBMUJFWSA-N 1 0 392.301 2.492 20 0 GEADRO CS[C@@H]1CN(C(=O)C2(n3cc(Br)cn3)CC2)C[C@H]1[NH+]1CCCC1 ZINC000935368086 654889963 /nfs/dbraw/zinc/88/99/63/654889963.db2.gz QANZGZKBVSVYPQ-ZIAGYGMSSA-N 1 0 399.358 2.173 20 0 GEADRO CSc1nnc(CNC(=O)CCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000935556908 654900036 /nfs/dbraw/zinc/90/00/36/654900036.db2.gz OWYRIXXPWAESBT-UHFFFAOYSA-N 1 0 380.539 2.449 20 0 GEADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ncc(Br)cn2)c1 ZINC000935620019 654904963 /nfs/dbraw/zinc/90/49/63/654904963.db2.gz FZGBJWBUYFQOFA-UHFFFAOYSA-N 1 0 393.285 2.452 20 0 GEADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1nc(C(C)C)ncc1Br ZINC000935779116 654916225 /nfs/dbraw/zinc/91/62/25/654916225.db2.gz BKEKHVDWGWQSEF-LBPRGKRZSA-N 1 0 387.322 2.185 20 0 GEADRO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cnc1Br ZINC000935812588 654918385 /nfs/dbraw/zinc/91/83/85/654918385.db2.gz JJQMAWKZCLVJAK-OAHLLOKOSA-N 1 0 382.302 2.479 20 0 GEADRO C[NH+]1CCC(ONC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000935841765 654921176 /nfs/dbraw/zinc/92/11/76/654921176.db2.gz CONVHFWAKDFTQE-ZDUSSCGKSA-N 1 0 382.258 2.017 20 0 GEADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Br)cnc1C1CC1 ZINC000936009458 654933572 /nfs/dbraw/zinc/93/35/72/654933572.db2.gz IVIFVMOCEVWHDM-UHFFFAOYSA-N 1 0 383.334 2.335 20 0 GEADRO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccsc4Cl)C[C@H]32)CC[N@@H+]1C ZINC000972417681 654942100 /nfs/dbraw/zinc/94/21/00/654942100.db2.gz HREVBXUSCDEXSC-RGCMKSIDSA-N 1 0 381.929 2.415 20 0 GEADRO